smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(c2ccnc(N)n2)[C@@H](C)CN1C ZINC001120914526 719224105 /nfs/dbraw/zinc/22/41/05/719224105.db2.gz QSXIBHGBMBVBAV-BDAKNGLRSA-N 0 3 221.308 0.588 20 0 BCADHN CCC(CC)CN1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000407949745 136207649 /nfs/dbraw/zinc/20/76/49/136207649.db2.gz NDNARMFYXSMJKZ-SNVBAGLBSA-N 0 3 239.319 0.659 20 0 BCADHN CCn1cnnc1C1CCN(C[C@H](C)O)CC1 ZINC000407949481 136207805 /nfs/dbraw/zinc/20/78/05/136207805.db2.gz KJEHJQOMGLPHHO-JTQLQIEISA-N 0 3 238.335 0.858 20 0 BCADHN Cc1ccc(CNC[C@H](O)Cn2cccn2)cn1 ZINC000062053099 349436741 /nfs/dbraw/zinc/43/67/41/349436741.db2.gz IRRLMDMFPJWRBD-ZDUSSCGKSA-N 0 3 246.314 0.737 20 0 BCADHN CCOCCCNC(=O)CN1CC[C@H](C)C1 ZINC000548913404 398138749 /nfs/dbraw/zinc/13/87/49/398138749.db2.gz FOJVEFQNNSXPNN-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN C[C@@H]1C[C@H](NC2COCCOC2)[C@H](C)O1 ZINC000385207012 398140336 /nfs/dbraw/zinc/14/03/36/398140336.db2.gz RIRZTVZBDWJGOU-YWVKMMECSA-N 0 3 215.293 0.557 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000638695688 352533546 /nfs/dbraw/zinc/53/35/46/352533546.db2.gz QDCNCHABYHCKLL-MXWKQRLJSA-N 0 3 226.320 0.653 20 0 BCADHN CCC(CC)(CCO)CNC(=O)[C@@H](C)N ZINC000121679218 168318834 /nfs/dbraw/zinc/31/88/34/168318834.db2.gz HHBCUPBVGHJHOO-SECBINFHSA-N 0 3 216.325 0.639 20 0 BCADHN CCC[C@H](C)NC(=O)[C@@H](C)N1CC[C@H](CO)C1 ZINC000051888005 136209730 /nfs/dbraw/zinc/20/97/30/136209730.db2.gz CJWIEZGZWIHHSL-TUAOUCFPSA-N 0 3 242.363 0.994 20 0 BCADHN CN1CCC[C@@H](N2CC[C@H](CCCO)C2)C1=O ZINC000650353283 398142106 /nfs/dbraw/zinc/14/21/06/398142106.db2.gz CEPHCHUBSWGACA-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC000268263575 538917064 /nfs/dbraw/zinc/91/70/64/538917064.db2.gz ZRTFVODOGDOVCP-CABZTGNLSA-N 0 3 248.330 0.551 20 0 BCADHN CC[C@H](N)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000649319327 398142679 /nfs/dbraw/zinc/14/26/79/398142679.db2.gz YCLGWYJRPAJCGM-NSHDSACASA-N 0 3 245.286 0.943 20 0 BCADHN CCC(CC)(CCO)NCc1cnnn1C ZINC000336736488 168322062 /nfs/dbraw/zinc/32/20/62/168322062.db2.gz MUFXPEBDOTWTJG-UHFFFAOYSA-N 0 3 226.324 0.846 20 0 BCADHN CCCNS(=O)(=O)NC[C@@H](C)N1CCCC1 ZINC000062348497 349472495 /nfs/dbraw/zinc/47/24/95/349472495.db2.gz BSSAAAXJTCCQEK-SNVBAGLBSA-N 0 3 249.380 0.305 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@H](C)O[C@@H](CC)C1 ZINC000155637195 136213089 /nfs/dbraw/zinc/21/30/89/136213089.db2.gz HLBAPUUKUZSFLL-GUBZILKMSA-N 0 3 214.309 0.750 20 0 BCADHN C[C@@H](N)C(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161622447 349476528 /nfs/dbraw/zinc/47/65/28/349476528.db2.gz OLFNTHNZOWOHME-RGOKHQFPSA-N 0 3 226.320 0.606 20 0 BCADHN CCN(CCNC(=O)N1CCC1)C1CC1 ZINC000171252291 346812903 /nfs/dbraw/zinc/81/29/03/346812903.db2.gz CIFBWWHBDPKKSQ-UHFFFAOYSA-N 0 3 211.309 0.886 20 0 BCADHN CC(C)[C@H](O)CN1CCC[C@H](n2cncn2)C1 ZINC000336679631 187321285 /nfs/dbraw/zinc/32/12/85/187321285.db2.gz AWUXKLQOCKZYLL-NWDGAFQWSA-N 0 3 238.335 0.932 20 0 BCADHN CCOC(=O)[C@@H](C)CNC(=O)[C@H](N)CC(C)C ZINC000236944797 349479977 /nfs/dbraw/zinc/47/99/77/349479977.db2.gz LNRPHJJOTQYUJA-VHSXEESVSA-N 0 3 244.335 0.675 20 0 BCADHN CCC(CC)(NC(=O)[C@H](C)N)C(=O)OC ZINC000309511723 168331499 /nfs/dbraw/zinc/33/14/99/168331499.db2.gz XLZILMYRQFFUFX-ZETCQYMHSA-N 0 3 216.281 0.182 20 0 BCADHN C[C@]1(O)CCCN(CCn2ccccc2=O)C1 ZINC000161870254 538919626 /nfs/dbraw/zinc/91/96/26/538919626.db2.gz CFJCKGZZTUBJAD-ZDUSSCGKSA-N 0 3 236.315 0.695 20 0 BCADHN COCC(C)(C)NC[C@H]1CN(C)C(=O)O1 ZINC000378724788 346816153 /nfs/dbraw/zinc/81/61/53/346816153.db2.gz IDBZBGSWWXFFDF-QMMMGPOBSA-N 0 3 216.281 0.452 20 0 BCADHN O[C@]1(CNCc2cncs2)CCOC1 ZINC000229638372 136214621 /nfs/dbraw/zinc/21/46/21/136214621.db2.gz LCSRHAIXCHAPCS-VIFPVBQESA-N 0 3 214.290 0.384 20 0 BCADHN CCN1CCC[C@@H]1CNc1nnnn1C ZINC000062938919 349502412 /nfs/dbraw/zinc/50/24/12/349502412.db2.gz VJZWOLHLAPHSKN-MRVPVSSYSA-N 0 3 210.285 0.106 20 0 BCADHN CN(C)CCOc1cc(C(=O)N(C)C#N)ccn1 ZINC000602319985 349503982 /nfs/dbraw/zinc/50/39/82/349503982.db2.gz OTJGCGHCDQYHPG-UHFFFAOYSA-N 0 3 248.286 0.575 20 0 BCADHN O=C(NCc1ncc[nH]1)[C@H]1CNCCC1(F)F ZINC000649333360 398149677 /nfs/dbraw/zinc/14/96/77/398149677.db2.gz ORIXPDUFWXBSMU-SSDOTTSWSA-N 0 3 244.245 0.271 20 0 BCADHN Cc1cc(CN2CC[C@@H](CO)[C@H]2C)n(C)n1 ZINC000335900058 178000434 /nfs/dbraw/zinc/00/04/34/178000434.db2.gz QCIGZCPHLLRURL-MNOVXSKESA-N 0 3 223.320 0.931 20 0 BCADHN Cc1cc(CN2CC[C@@](C)(C(N)=O)C2)on1 ZINC000280690163 178001132 /nfs/dbraw/zinc/00/11/32/178001132.db2.gz HOCILDKNCVPQPL-LLVKDONJSA-N 0 3 223.276 0.680 20 0 BCADHN Cc1cc(CN2C[C@@H](O)[C@H](O)C2)c(C)s1 ZINC000278813752 178005621 /nfs/dbraw/zinc/00/56/21/178005621.db2.gz PHAOILLEBLHFBH-GHMZBOCLSA-N 0 3 227.329 0.902 20 0 BCADHN CC(C)(N)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000649336674 398153290 /nfs/dbraw/zinc/15/32/90/398153290.db2.gz MBJMGDCQNKWTRQ-UHFFFAOYSA-N 0 3 245.286 0.943 20 0 BCADHN O[C@H](CNCCC(F)(F)F)Cn1cccn1 ZINC000063100251 349505570 /nfs/dbraw/zinc/50/55/70/349505570.db2.gz WISNOCSZWGIRAK-MRVPVSSYSA-N 0 3 237.225 0.786 20 0 BCADHN C[C@@H](CCO)N(C)Cc1ccnc(N)c1 ZINC000649871400 398155052 /nfs/dbraw/zinc/15/50/52/398155052.db2.gz ZYLZFNGXRLTIEW-VIFPVBQESA-N 0 3 209.293 0.697 20 0 BCADHN COC[C@@H]1CCCN(CC(=O)N(C)C2CC2)C1 ZINC000112989907 398155887 /nfs/dbraw/zinc/15/58/87/398155887.db2.gz UUNXGDPNFWUHLU-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1cc(CNC(=O)[C@H]2CCCCN2)on1 ZINC000045006934 178015843 /nfs/dbraw/zinc/01/58/43/178015843.db2.gz CIXADTXGHZCJEA-SNVBAGLBSA-N 0 3 223.276 0.741 20 0 BCADHN CN(C(=O)[C@@H]1NCC1(C)C)c1cnn(C)c1 ZINC000649340107 398156770 /nfs/dbraw/zinc/15/67/70/398156770.db2.gz BYVLANVEAHSDRD-VIFPVBQESA-N 0 3 222.292 0.381 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCNC(=O)C(C)C ZINC000040806768 398168837 /nfs/dbraw/zinc/16/88/37/398168837.db2.gz CAZIHTDVJSNQCZ-GFCCVEGCSA-N 0 3 243.351 0.392 20 0 BCADHN C[C@H]1C[C@H](NC(=O)N(C)CCO)CN1C1CC1 ZINC000305733339 136215299 /nfs/dbraw/zinc/21/52/99/136215299.db2.gz OJFYZYLLQLWIIS-UWVGGRQHSA-N 0 3 241.335 0.245 20 0 BCADHN COC1CCN(CCc2cn[nH]n2)CC1 ZINC000647955292 398172565 /nfs/dbraw/zinc/17/25/65/398172565.db2.gz MRVSJBXHPAHHDP-UHFFFAOYSA-N 0 3 210.281 0.458 20 0 BCADHN COCCCN1CCCN(C(N)=O)CC1 ZINC000111687953 136216075 /nfs/dbraw/zinc/21/60/75/136216075.db2.gz OCSRFAMHTFEMIV-UHFFFAOYSA-N 0 3 215.297 0.109 20 0 BCADHN C[C@H](C(=O)N1CCN[C@@H](C)[C@@H]1C)n1cccn1 ZINC000277447371 398174866 /nfs/dbraw/zinc/17/48/66/398174866.db2.gz FTWXCKIPVDFEIR-GARJFASQSA-N 0 3 236.319 0.653 20 0 BCADHN C[C@@H](C(=O)N1CCN[C@@H](C)[C@H]1C)n1cccn1 ZINC000277447362 398175078 /nfs/dbraw/zinc/17/50/78/398175078.db2.gz FTWXCKIPVDFEIR-AXFHLTTASA-N 0 3 236.319 0.653 20 0 BCADHN Cc1nnccc1C(=O)N(C)C1CCN(C)CC1 ZINC000269891992 538920974 /nfs/dbraw/zinc/92/09/74/538920974.db2.gz FCDCPEWKXJVLLX-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN CN(C[C@H](O)CN1CCC(F)(F)C1)C1CC1 ZINC000313268378 398176314 /nfs/dbraw/zinc/17/63/14/398176314.db2.gz IRXCFESXXHOJTL-JTQLQIEISA-N 0 3 234.290 0.783 20 0 BCADHN CCCS(=O)(=O)N1CCC[C@@H](N(C)C)C1 ZINC000113750861 136217033 /nfs/dbraw/zinc/21/70/33/136217033.db2.gz LWJUYDVZEOJINM-SNVBAGLBSA-N 0 3 234.365 0.752 20 0 BCADHN N[C@@H](C(=O)NC[C@H]1CCCO1)C1CCC1 ZINC000331550608 398177445 /nfs/dbraw/zinc/17/74/45/398177445.db2.gz HUPXTVNQZCTKMQ-NXEZZACHSA-N 0 3 212.293 0.409 20 0 BCADHN COc1ccnc(CNC(=O)[C@@H](N)C(C)C)n1 ZINC000424207665 398177583 /nfs/dbraw/zinc/17/75/83/398177583.db2.gz JKSIITCFWYDSRX-JTQLQIEISA-N 0 3 238.291 0.085 20 0 BCADHN CCC[C@H](C)N(C)C(=O)COC1CNC1 ZINC000336664914 398179358 /nfs/dbraw/zinc/17/93/58/398179358.db2.gz DPHGESHJRPYIPD-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN Cc1cc(C[C@@H](C)NC(=O)[C@@H](N)C(C)C)[nH]n1 ZINC000236784954 178054698 /nfs/dbraw/zinc/05/46/98/178054698.db2.gz FJGSBFOYMFXHLG-KCJUWKMLSA-N 0 3 238.335 0.749 20 0 BCADHN O=c1n2ccccc2nn1CCN1CCCC1 ZINC000045734879 398181949 /nfs/dbraw/zinc/18/19/49/398181949.db2.gz JMWGOWCLTJWYKU-UHFFFAOYSA-N 0 3 232.287 0.592 20 0 BCADHN CNCC(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000380053306 398182276 /nfs/dbraw/zinc/18/22/76/398182276.db2.gz JUKVHCLSYGUULP-IUCAKERBSA-N 0 3 200.282 0.137 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@H]1NCC1(C)C ZINC000649348022 398161229 /nfs/dbraw/zinc/16/12/29/398161229.db2.gz ZANKUEJOKUWBRY-SECBINFHSA-N 0 3 222.292 0.332 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCCC(C)(C)O ZINC000309106744 136217665 /nfs/dbraw/zinc/21/76/65/136217665.db2.gz IFIVZYZWRZIOFE-BDAKNGLRSA-N 0 3 214.309 0.262 20 0 BCADHN CCOC[C@@H](O)CN(C)CCN1CCCCC1 ZINC000649888385 398166261 /nfs/dbraw/zinc/16/62/61/398166261.db2.gz PXWZEBWJFHKTMQ-ZDUSSCGKSA-N 0 3 244.379 0.802 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@]2(C1)CCCOC2 ZINC000341983888 398185961 /nfs/dbraw/zinc/18/59/61/398185961.db2.gz DBAOGZQBVYOSQC-YPMHNXCESA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](NCc1nnnn1C)C1CCCC1 ZINC000309117858 136217804 /nfs/dbraw/zinc/21/78/04/136217804.db2.gz MJHFGKINXKOCJM-MRVPVSSYSA-N 0 3 209.297 0.878 20 0 BCADHN Cn1nncc1CN[C@@H]1CCOC(C)(C)C1 ZINC000159890170 398196093 /nfs/dbraw/zinc/19/60/93/398196093.db2.gz UUMQZAUBQDMRBJ-SECBINFHSA-N 0 3 224.308 0.862 20 0 BCADHN CC(C)[C@H](O)CN[C@H](C)c1ccc(=O)[nH]n1 ZINC000336695285 398196238 /nfs/dbraw/zinc/19/62/38/398196238.db2.gz YHEOAXOYNFSNBK-PSASIEDQSA-N 0 3 225.292 0.850 20 0 BCADHN CCC[C@@H](CN[C@@H]1CCC(=O)N(C)C1=O)OC ZINC000386107261 398196617 /nfs/dbraw/zinc/19/66/17/398196617.db2.gz KULBIJXLBGWESY-VHSXEESVSA-N 0 3 242.319 0.539 20 0 BCADHN CC1(OCC(=O)N(CC(F)F)C2CC2)CNC1 ZINC000386219532 398200139 /nfs/dbraw/zinc/20/01/39/398200139.db2.gz NZWSHJPIPHDDPV-UHFFFAOYSA-N 0 3 248.273 0.621 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCC(C)(C)CO ZINC000162339821 538922157 /nfs/dbraw/zinc/92/21/57/538922157.db2.gz ONGCMARWCUXJJB-SECBINFHSA-N 0 3 237.365 0.418 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC1CC=CC1 ZINC000162310992 538922211 /nfs/dbraw/zinc/92/22/11/538922211.db2.gz DNIGNVHNEXBWAC-MRVPVSSYSA-N 0 3 203.307 0.728 20 0 BCADHN O=S1(=O)CCC[C@@H](NC2CC=CC2)C1 ZINC000162310742 538922324 /nfs/dbraw/zinc/92/23/24/538922324.db2.gz WEPDUYQYMNOJLL-SNVBAGLBSA-N 0 3 215.318 0.872 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCC1(CO)CC1 ZINC000162299827 538922359 /nfs/dbraw/zinc/92/23/59/538922359.db2.gz GRRPBWDHDWXZGN-VIFPVBQESA-N 0 3 235.349 0.172 20 0 BCADHN COCC1(N(C)C[C@H]2COCCO2)CC1 ZINC000649400279 398202360 /nfs/dbraw/zinc/20/23/60/398202360.db2.gz DGNHIOUSOHKWAY-JTQLQIEISA-N 0 3 215.293 0.513 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN[C@H](C)CO)C1(F)F ZINC000894200422 583337638 /nfs/dbraw/zinc/33/76/38/583337638.db2.gz MANLTLZPUMQCPI-QYNIQEEDSA-N 0 3 223.219 0.011 20 0 BCADHN Cc1cc(NC(=O)C2(N)CCC2)nn1C ZINC000300847163 178125620 /nfs/dbraw/zinc/12/56/20/178125620.db2.gz GJAXLGAPGSXQKM-UHFFFAOYSA-N 0 3 208.265 0.548 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NC[C@H]1CCCO1 ZINC000336706166 398204329 /nfs/dbraw/zinc/20/43/29/398204329.db2.gz RIZZGSJIKOFORI-RQJHMYQMSA-N 0 3 222.235 0.264 20 0 BCADHN CC[C@H](NCCC(N)=O)c1ccncc1 ZINC000576272289 365544962 /nfs/dbraw/zinc/54/49/62/365544962.db2.gz VRXXJSCHHZPCHR-JTQLQIEISA-N 0 3 207.277 0.998 20 0 BCADHN C[C@H](O)[C@@H]1CCN(CCn2ccccc2=O)C1 ZINC000162825030 538925313 /nfs/dbraw/zinc/92/53/13/538925313.db2.gz QLAJTELGYMRZSV-NWDGAFQWSA-N 0 3 236.315 0.551 20 0 BCADHN CCO[C@@H]1C[C@@H](NC(=O)[C@H](N)CC)[C@@H]1OC ZINC000576277489 365546507 /nfs/dbraw/zinc/54/65/07/365546507.db2.gz CDXQWIRBFWOKNV-KYXWUPHJSA-N 0 3 230.308 0.032 20 0 BCADHN CC[C@@H](N)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000380714586 398205928 /nfs/dbraw/zinc/20/59/28/398205928.db2.gz NQBDKKNXNAOSKX-MNOVXSKESA-N 0 3 225.336 0.276 20 0 BCADHN Cc1cc(NC(=O)CN[C@@H](C)[C@@H](C)CO)on1 ZINC000274067034 178132126 /nfs/dbraw/zinc/13/21/26/178132126.db2.gz QWZVZCNCXAKVIC-CBAPKCEASA-N 0 3 241.291 0.528 20 0 BCADHN C(CN1C[C@@H]2COC[C@H](C1)O2)N1CCCCC1 ZINC000338369640 187327610 /nfs/dbraw/zinc/32/76/10/187327610.db2.gz IHQXZJOZTAFPDO-BETUJISGSA-N 0 3 240.347 0.572 20 0 BCADHN COc1nccc(CNCCCn2cccn2)n1 ZINC000296241724 398208178 /nfs/dbraw/zinc/20/81/78/398208178.db2.gz CQAWKFSPSIVUIJ-UHFFFAOYSA-N 0 3 247.302 0.862 20 0 BCADHN CN[C@@H](C)C(=O)N(C)[C@@H](C)c1nc(C)no1 ZINC000576291259 365555132 /nfs/dbraw/zinc/55/51/32/365555132.db2.gz FZOYZYZRRICMQP-BQBZGAKWSA-N 0 3 226.280 0.505 20 0 BCADHN CCn1ccc(C(=O)N[C@H]2CCN(CC)C2)n1 ZINC000573093216 398209228 /nfs/dbraw/zinc/20/92/28/398209228.db2.gz IWOBWXFJQAGRPP-JTQLQIEISA-N 0 3 236.319 0.727 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H]1C[C@@H](O)C1(C)C)N(C)C ZINC000331974681 187330144 /nfs/dbraw/zinc/33/01/44/187330144.db2.gz BXZHOAUJAKGVHX-GMTAPVOTSA-N 0 3 242.363 0.848 20 0 BCADHN CCOCCN[C@](C)(CCO)COC ZINC000085902930 398214573 /nfs/dbraw/zinc/21/45/73/398214573.db2.gz TXSFTEDIZFCNQC-SNVBAGLBSA-N 0 3 205.298 0.400 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H](O)c1ccccc1F ZINC000236796122 187328464 /nfs/dbraw/zinc/32/84/64/187328464.db2.gz IFSJLWOCJCAHED-SNVBAGLBSA-N 0 3 240.278 0.713 20 0 BCADHN CC[C@@H](N)C(=O)NCC(=O)NC1CCCCC1 ZINC000129596766 398218387 /nfs/dbraw/zinc/21/83/87/398218387.db2.gz KSGOWHITCOOSPB-SNVBAGLBSA-N 0 3 241.335 0.289 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC ZINC000576360582 365578155 /nfs/dbraw/zinc/57/81/55/365578155.db2.gz VELFPXBJLOVFQV-XHNCKOQMSA-N 0 3 229.324 0.014 20 0 BCADHN CN(Cc1ccon1)C(=O)[C@H](N)C1CCC1 ZINC000520806580 398210403 /nfs/dbraw/zinc/21/04/03/398210403.db2.gz WONBOPRKALPDGR-SNVBAGLBSA-N 0 3 223.276 0.760 20 0 BCADHN CCc1ncncc1C(=O)N[C@H]1CCN(CC)C1 ZINC000576366283 365579544 /nfs/dbraw/zinc/57/95/44/365579544.db2.gz KYPQQXRPTZOHOR-JTQLQIEISA-N 0 3 248.330 0.863 20 0 BCADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)[C@H]1C ZINC000339565590 187329834 /nfs/dbraw/zinc/32/98/34/187329834.db2.gz DPCALJFYXKEYNY-BDAKNGLRSA-N 0 3 225.292 0.269 20 0 BCADHN CN1CCC[C@H](NCC2(O)CCCC2)C1=O ZINC000573198880 398212706 /nfs/dbraw/zinc/21/27/06/398212706.db2.gz AVZGNQXCMZVKEI-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN C[C@H]1[C@H](CO)CCN1Cc1cnc2cnccn12 ZINC000425983504 398222583 /nfs/dbraw/zinc/22/25/83/398222583.db2.gz CPLHREYAUKMVRL-QWRGUYRKSA-N 0 3 246.314 0.932 20 0 BCADHN Cc1cc(CC(=O)NCCN(C)C2CC2)no1 ZINC000264992462 187331879 /nfs/dbraw/zinc/33/18/79/187331879.db2.gz CAMNZNNVZZPCQO-UHFFFAOYSA-N 0 3 237.303 0.736 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000381170861 398229953 /nfs/dbraw/zinc/22/99/53/398229953.db2.gz UBTHXKSXMLVEMH-WDSKDSINSA-N 0 3 226.198 0.123 20 0 BCADHN COCC(C)(C)CN1CC[C@H](NC(C)=O)C1 ZINC000421391464 192327819 /nfs/dbraw/zinc/32/78/19/192327819.db2.gz OWOYWPTXDDSGNA-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CNS(=O)(=O)CCNCc1cccs1 ZINC000190302860 398227483 /nfs/dbraw/zinc/22/74/83/398227483.db2.gz OSQVTUBARJTQBD-UHFFFAOYSA-N 0 3 234.346 0.387 20 0 BCADHN CC[C@@H](C(=O)NCc1cc(OC)no1)N(C)C ZINC000640707749 361749410 /nfs/dbraw/zinc/74/94/10/361749410.db2.gz ZKMCFNJDVLYLGW-VIFPVBQESA-N 0 3 241.291 0.640 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCCCn1cncn1 ZINC000381194445 398232973 /nfs/dbraw/zinc/23/29/73/398232973.db2.gz 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ZINC000602442138 349527200 /nfs/dbraw/zinc/52/72/00/349527200.db2.gz RGMNZPJGWZFVRX-VIFPVBQESA-N 0 3 230.308 0.442 20 0 BCADHN Cn1cc(CCN2CCC3(COC3)C2)nn1 ZINC000625556595 343990068 /nfs/dbraw/zinc/99/00/68/343990068.db2.gz AQBAVIUEFQLFJJ-UHFFFAOYSA-N 0 3 222.292 0.080 20 0 BCADHN CCN[C@H](C)C(=O)NC1(C(=O)OC)CCCC1 ZINC000602441435 349527300 /nfs/dbraw/zinc/52/73/00/349527300.db2.gz ZWRGYBLYHFCCIV-SECBINFHSA-N 0 3 242.319 0.586 20 0 BCADHN CCn1nccc1CCN1CC[C@@H](O)[C@@H]1C ZINC000650083633 398234061 /nfs/dbraw/zinc/23/40/61/398234061.db2.gz IVSUYAYLBBSQIK-CMPLNLGQSA-N 0 3 223.320 0.901 20 0 BCADHN CC[C@@H](NC(=O)[C@H](N)CCC(C)C)C(=O)OC ZINC000602441050 349527435 /nfs/dbraw/zinc/52/74/35/349527435.db2.gz SKYAOHGUCIZPBG-NXEZZACHSA-N 0 3 244.335 0.818 20 0 BCADHN CCN(CCO)C(=O)CN(C)C1CCC1 ZINC000629947229 361795155 /nfs/dbraw/zinc/79/51/55/361795155.db2.gz KOAUYBQEEQLGLJ-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N1CC[C@@H]([C@H](C)O)C1 ZINC000252790459 136226907 /nfs/dbraw/zinc/22/69/07/136226907.db2.gz YVRSADADDGZDBL-SDDRHHMPSA-N 0 3 242.363 0.850 20 0 BCADHN CN(Cc1cc[nH]n1)C(=O)CN(C)C1CCC1 ZINC000629960295 361808060 /nfs/dbraw/zinc/80/80/60/361808060.db2.gz CLKOTKGIIWOAOI-UHFFFAOYSA-N 0 3 236.319 0.852 20 0 BCADHN COC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000629963492 361810605 /nfs/dbraw/zinc/81/06/05/361810605.db2.gz SZSQXUSROIITSU-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN Cn1ncc(C(=O)N2CCCNCC2)c1C1CC1 ZINC000269124497 187333794 /nfs/dbraw/zinc/33/37/94/187333794.db2.gz LQKOYYXMDPXYNL-UHFFFAOYSA-N 0 3 248.330 0.733 20 0 BCADHN COC(=O)[C@@H](O)C1CCN(C[C@H](C)OC)CC1 ZINC000182356670 398241700 /nfs/dbraw/zinc/24/17/00/398241700.db2.gz KBGZMOKMYDMWFU-ONGXEEELSA-N 0 3 245.319 0.267 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCNC[C@H]1C(F)F ZINC000576466257 365603715 /nfs/dbraw/zinc/60/37/15/365603715.db2.gz JPBDVIOOZMQCRH-APPZFPTMSA-N 0 3 247.289 0.192 20 0 BCADHN CN(C)CC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000175839058 365604666 /nfs/dbraw/zinc/60/46/66/365604666.db2.gz QJSNZAMZVIVZBZ-SNVBAGLBSA-N 0 3 213.325 0.101 20 0 BCADHN CN(CC(=O)N1CC[C@H](O)C1)C1CCC1 ZINC000629973267 361821913 /nfs/dbraw/zinc/82/19/13/361821913.db2.gz MLNYVXKCMFVGLD-JTQLQIEISA-N 0 3 212.293 0.064 20 0 BCADHN C[C@H](CO)CN1CC[C@@H](N2CCCC2=O)C1 ZINC000678046024 488176512 /nfs/dbraw/zinc/17/65/12/488176512.db2.gz NXFAWDTUKCUZAT-WDEREUQCSA-N 0 3 226.320 0.312 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC[C@H]1c1ccccn1 ZINC000576580468 365630494 /nfs/dbraw/zinc/63/04/94/365630494.db2.gz YRGYYZITSVGHQP-NWDGAFQWSA-N 0 3 249.314 0.719 20 0 BCADHN CNC(=O)CCCN1CCN(C)[C@@H](C)[C@H]1C ZINC000576594397 365634909 /nfs/dbraw/zinc/63/49/09/365634909.db2.gz XHSDADSATODIOK-WDEREUQCSA-N 0 3 227.352 0.537 20 0 BCADHN C[C@H](F)CCNC[C@H](C)S(C)(=O)=O ZINC000517230314 259308580 /nfs/dbraw/zinc/30/85/80/259308580.db2.gz CDBPTEIQORQUEI-YUMQZZPRSA-N 0 3 211.302 0.757 20 0 BCADHN COCC(C)(C)NC(=O)[C@H]1NCC1(C)C ZINC000390752508 398247308 /nfs/dbraw/zinc/24/73/08/398247308.db2.gz DSBRHYAPPRTTLU-MRVPVSSYSA-N 0 3 214.309 0.526 20 0 BCADHN CC(C)(CCO)NCc1ccc(N)nc1 ZINC000381292408 398250134 /nfs/dbraw/zinc/25/01/34/398250134.db2.gz DUGKQYNPICKOTM-UHFFFAOYSA-N 0 3 209.293 0.745 20 0 BCADHN Cc1cc[nH]c1C(=O)N(C)CCN(C)C ZINC000280521930 178309284 /nfs/dbraw/zinc/30/92/84/178309284.db2.gz BEENIMQVGREVOK-UHFFFAOYSA-N 0 3 209.293 0.957 20 0 BCADHN COC(=O)CCCNC(=O)[C@@H](N)CCC(C)C ZINC000602432806 349536651 /nfs/dbraw/zinc/53/66/51/349536651.db2.gz HOGLVEBNKVDEHR-JTQLQIEISA-N 0 3 244.335 0.819 20 0 BCADHN CCC[C@H](O)CN[C@@H]1C(=O)NCC[C@@H]1C ZINC000576671629 365653999 /nfs/dbraw/zinc/65/39/99/365653999.db2.gz BIBQCYNNMJGLNQ-GUBZILKMSA-N 0 3 214.309 0.262 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc2nc(C)nn2c1 ZINC000576635069 365643813 /nfs/dbraw/zinc/64/38/13/365643813.db2.gz YILKRMUVGLLCAT-SECBINFHSA-N 0 3 233.275 0.714 20 0 BCADHN CC[C@@H](OC)C(=O)N1CCNCC1(C)C ZINC000390796770 398249700 /nfs/dbraw/zinc/24/97/00/398249700.db2.gz SKBXVVGGJKABQH-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN CS(=O)(=O)CCCCN1CCC[C@@H]1CN ZINC000381401455 398255997 /nfs/dbraw/zinc/25/59/97/398255997.db2.gz RDBPZCWNMOFAII-SNVBAGLBSA-N 0 3 234.365 0.234 20 0 BCADHN CC(C)[C@@H](C(=O)NCc1cncn1C)N(C)C ZINC000291178244 538947560 /nfs/dbraw/zinc/94/75/60/538947560.db2.gz JMKMLZJYECKHSR-NSHDSACASA-N 0 3 238.335 0.623 20 0 BCADHN CC[C@H](C)C[C@H](NC(=O)CN)C(=O)OC ZINC000576704589 365656458 /nfs/dbraw/zinc/65/64/58/365656458.db2.gz BRAJYGUBVRDVNL-YUMQZZPRSA-N 0 3 216.281 0.039 20 0 BCADHN C[C@@H](CNC[C@]1(C)CCCO1)S(C)(=O)=O ZINC000576696427 365660144 /nfs/dbraw/zinc/66/01/44/365660144.db2.gz IWMFQYSBZGMNOY-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN O=C(NC[C@H]1CNCCO1)C1CC(F)(F)C1 ZINC000383388050 398258044 /nfs/dbraw/zinc/25/80/44/398258044.db2.gz OBVUJAPEZKEHGG-MRVPVSSYSA-N 0 3 234.246 0.136 20 0 BCADHN C[C@H]1CN(C(=O)Cc2ccc(N)cn2)[C@@H](C)CN1 ZINC000576701807 365663320 /nfs/dbraw/zinc/66/33/20/365663320.db2.gz KVVHUKFMNOKFFO-UWVGGRQHSA-N 0 3 248.330 0.415 20 0 BCADHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1cscn1 ZINC000576703031 365663492 /nfs/dbraw/zinc/66/34/92/365663492.db2.gz JSWYXDVIMFDDTK-SSDOTTSWSA-N 0 3 249.361 0.277 20 0 BCADHN Cc1nnsc1CNC[C@@]1(O)CCO[C@@H]1C ZINC000381459907 398258750 /nfs/dbraw/zinc/25/87/50/398258750.db2.gz JIPZKBKHEJGISY-SCZZXKLOSA-N 0 3 243.332 0.476 20 0 BCADHN COCCCN1CCNC[C@H]1c1nccn1C ZINC000576755496 365678003 /nfs/dbraw/zinc/67/80/03/365678003.db2.gz NNEIZGOCEPCFLY-NSHDSACASA-N 0 3 238.335 0.403 20 0 BCADHN CNCC(=O)N(CCOC)C1CCCC1 ZINC000381396305 398255286 /nfs/dbraw/zinc/25/52/86/398255286.db2.gz AFDRFJVZZCIRSR-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN C[C@@H]1C[C@@H](NC2COCCOC2)[C@@H](C)O1 ZINC000385206996 398261839 /nfs/dbraw/zinc/26/18/39/398261839.db2.gz RIRZTVZBDWJGOU-FXPVBKGRSA-N 0 3 215.293 0.557 20 0 BCADHN CCN[C@@H](C)C(=O)NC(C)(C)C(=O)OCC ZINC000602451451 349551928 /nfs/dbraw/zinc/55/19/28/349551928.db2.gz OSGROCLIHUEASW-QMMMGPOBSA-N 0 3 230.308 0.442 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)CSC ZINC000602452420 349552737 /nfs/dbraw/zinc/55/27/37/349552737.db2.gz BAQIEBLTSVPDGX-YUMQZZPRSA-N 0 3 204.339 0.852 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](C)CSC ZINC000602452418 349552876 /nfs/dbraw/zinc/55/28/76/349552876.db2.gz BAQIEBLTSVPDGX-SFYZADRCSA-N 0 3 204.339 0.852 20 0 BCADHN C[C@H]1CCN(CCn2ccccc2=O)[C@H]1CO ZINC000299980888 538948709 /nfs/dbraw/zinc/94/87/09/538948709.db2.gz TTZQBJWBSPTTPI-RYUDHWBXSA-N 0 3 236.315 0.551 20 0 BCADHN CCSCC[C@H](C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000602457148 349554321 /nfs/dbraw/zinc/55/43/21/349554321.db2.gz FWGQKCPJZFNTFL-LPEHRKFASA-N 0 3 246.376 0.751 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C(=O)OC)C1CC1 ZINC000602460296 349555428 /nfs/dbraw/zinc/55/54/28/349555428.db2.gz YHMARDURFDCOFS-VXNVDRBHSA-N 0 3 228.292 0.052 20 0 BCADHN CCN[C@H](C)C(=O)NCC(C)(C)C(=O)OC ZINC000602460240 349555525 /nfs/dbraw/zinc/55/55/25/349555525.db2.gz XARQBLJGEVCSOL-MRVPVSSYSA-N 0 3 230.308 0.300 20 0 BCADHN CN(CC(=O)N1CCn2ncnc2C1)C1CCC1 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227.337 0.143 20 0 BCADHN C[C@@](O)(C[C@H](O)CN1CCC[C@@H](O)C1)C1CC1 ZINC000630051724 361920001 /nfs/dbraw/zinc/92/00/01/361920001.db2.gz RJGAIFOPZVQPRD-FRRDWIJNSA-N 0 3 243.347 0.355 20 0 BCADHN CCCN(CC(=O)NC)C[C@H]1CCCN1C ZINC000649493650 398288947 /nfs/dbraw/zinc/28/89/47/398288947.db2.gz VYFCDXDLOQSNDB-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)Cc1cc[nH]n1 ZINC000186763730 538974492 /nfs/dbraw/zinc/97/44/92/538974492.db2.gz VGRGZRIKZIENPI-UHFFFAOYSA-N 0 3 236.319 0.505 20 0 BCADHN CN(CCNC(=O)Cc1cnn(C)c1)C1CC1 ZINC000624637395 342805585 /nfs/dbraw/zinc/80/55/85/342805585.db2.gz XPVXWWIODBMIJM-UHFFFAOYSA-N 0 3 236.319 0.173 20 0 BCADHN CC1(C)CCCN1CCN1CCCS1(=O)=O ZINC000336491835 342807213 /nfs/dbraw/zinc/80/72/13/342807213.db2.gz CDGNXSMIMGJBJT-UHFFFAOYSA-N 0 3 246.376 0.896 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2CN(C)C(=O)O2)C[C@H]1O ZINC000496878283 529395595 /nfs/dbraw/zinc/39/55/95/529395595.db2.gz YXVDSTSBSJCMRE-KXUCPTDWSA-N 0 3 228.292 0.140 20 0 BCADHN CCN(CCOC)C[C@@H]1CCC(=O)N1 ZINC000649495032 398292811 /nfs/dbraw/zinc/29/28/11/398292811.db2.gz DPPIQLGBXYERAE-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN C[C@H]1CCN(Cc2cncnc2)[C@@H]1CO ZINC000191185273 538991948 /nfs/dbraw/zinc/99/19/48/538991948.db2.gz SFHUYQVMNAFJSV-GXSJLCMTSA-N 0 3 207.277 0.679 20 0 BCADHN CC[C@@H](CO)NC(=O)NC[C@@H]1CCCN1CC ZINC000188911983 538979624 /nfs/dbraw/zinc/97/96/24/538979624.db2.gz BVNMLMSKMBXYDV-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN OC1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC000379860248 538980988 /nfs/dbraw/zinc/98/09/88/538980988.db2.gz LPWOKQUEPRSWTL-ZACCUICWSA-N 0 3 207.277 0.897 20 0 BCADHN COC[C@](C)(CO)NCc1ccncc1 ZINC000380005832 538983608 /nfs/dbraw/zinc/98/36/08/538983608.db2.gz LARRLEHVFLBJNT-NSHDSACASA-N 0 3 210.277 0.569 20 0 BCADHN Cn1nccc1CN[C@@H](CO)CC1CC1 ZINC000380011241 538983757 /nfs/dbraw/zinc/98/37/57/538983757.db2.gz RSKJLVFOGCDWFU-SNVBAGLBSA-N 0 3 209.293 0.671 20 0 BCADHN Cn1cnc(CN[C@@H]2CCCN(C)C2)c1 ZINC000380065937 538984130 /nfs/dbraw/zinc/98/41/30/538984130.db2.gz HYALVNQYYNNGJY-SNVBAGLBSA-N 0 3 208.309 0.604 20 0 BCADHN Cc1cn[nH]c1CNCC(C)(C)S(C)(=O)=O ZINC000381542061 539003640 /nfs/dbraw/zinc/00/36/40/539003640.db2.gz IIUPXEIUNLABRT-UHFFFAOYSA-N 0 3 245.348 0.631 20 0 BCADHN CSCC[C@H](N)C(=O)N1CCn2nccc21 ZINC000602604960 349627296 /nfs/dbraw/zinc/62/72/96/349627296.db2.gz SIAJEVMKEFXHNK-QMMMGPOBSA-N 0 3 240.332 0.310 20 0 BCADHN CN(C[C@H](O)CN1CC(C)(C)C1)C1CC1 ZINC000382036101 539008311 /nfs/dbraw/zinc/00/83/11/539008311.db2.gz GKQWNOPOXMKHDK-NSHDSACASA-N 0 3 212.337 0.783 20 0 BCADHN O=c1ccccn1CCN1CCC[C@H]1CCO ZINC000383986579 539012233 /nfs/dbraw/zinc/01/22/33/539012233.db2.gz MNJIQMQMMJJDPM-LBPRGKRZSA-N 0 3 236.315 0.695 20 0 BCADHN Cc1nc(CCNCc2cn(C)cn2)n[nH]1 ZINC000381314427 538998096 /nfs/dbraw/zinc/99/80/96/538998096.db2.gz BCZFUUBKIVRJSJ-UHFFFAOYSA-N 0 3 220.280 0.179 20 0 BCADHN Cc1n[nH]c(CCNCc2cn(C)cn2)n1 ZINC000381314427 538998097 /nfs/dbraw/zinc/99/80/97/538998097.db2.gz BCZFUUBKIVRJSJ-UHFFFAOYSA-N 0 3 220.280 0.179 20 0 BCADHN C[C@H](C[C@H]1CCOC1)NCc1ncnn1C ZINC000381314082 538998099 /nfs/dbraw/zinc/99/80/99/538998099.db2.gz MLDXKIDCEFQXEC-NXEZZACHSA-N 0 3 224.308 0.720 20 0 BCADHN C[C@H](N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCCO1 ZINC000390428068 539021623 /nfs/dbraw/zinc/02/16/23/539021623.db2.gz NOAFBHJPYMCANJ-DCAQKATOSA-N 0 3 247.360 0.721 20 0 BCADHN c1n[nH]cc1CN[C@H]1CCc2c[nH]nc2C1 ZINC000390484120 539022528 /nfs/dbraw/zinc/02/25/28/539022528.db2.gz NYWAEVSQROFJJR-JTQLQIEISA-N 0 3 217.276 0.780 20 0 BCADHN CCOCC[C@H](O)CN1CCc2cn[nH]c2C1 ZINC000683521112 488183648 /nfs/dbraw/zinc/18/36/48/488183648.db2.gz CPCRAPIXGAASDG-NSHDSACASA-N 0 3 239.319 0.555 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H](CO)CC1CC1 ZINC000390513251 539026025 /nfs/dbraw/zinc/02/60/25/539026025.db2.gz CGUTXDYKMSKCBC-GXSJLCMTSA-N 0 3 249.376 0.560 20 0 BCADHN CN1C[C@@H](NCc2ccc(O)cc2)CC1=O ZINC000390628617 539026581 /nfs/dbraw/zinc/02/65/81/539026581.db2.gz IAKSOOMGCQKNEF-JTQLQIEISA-N 0 3 220.272 0.713 20 0 BCADHN CN1CCC[C@H]1CNC(=O)CCC1(O)CCC1 ZINC000631285880 342839899 /nfs/dbraw/zinc/83/98/99/342839899.db2.gz SNDLLGQJVQNGBC-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN C[C@@H]1CN(CCn2ccccc2=O)C[C@@H]1O ZINC000388095021 539014621 /nfs/dbraw/zinc/01/46/21/539014621.db2.gz VZROPLFOJGQGDK-MNOVXSKESA-N 0 3 222.288 0.161 20 0 BCADHN C[C@H]1CN(CCn2ccccc2=O)C[C@H]1O ZINC000388095024 539014715 /nfs/dbraw/zinc/01/47/15/539014715.db2.gz VZROPLFOJGQGDK-WDEREUQCSA-N 0 3 222.288 0.161 20 0 BCADHN CN1CCC(NC(=O)N[C@H](CO)CCF)CC1 ZINC000650561552 398298265 /nfs/dbraw/zinc/29/82/65/398298265.db2.gz QUYIKPJFMRLWOJ-JTQLQIEISA-N 0 3 247.314 0.100 20 0 BCADHN C[C@@H](CO[C@@H]1CCOC1)NC1CSC1 ZINC000389227231 539015742 /nfs/dbraw/zinc/01/57/42/539015742.db2.gz RATLGBYJVAIHFJ-WCBMZHEXSA-N 0 3 217.334 0.885 20 0 BCADHN C[C@H](CO)CN1CCN(C2CCC2)CC1 ZINC000389590745 539016852 /nfs/dbraw/zinc/01/68/52/539016852.db2.gz OPUKDXHDBKLUAL-NSHDSACASA-N 0 3 212.337 0.785 20 0 BCADHN O=C1CCCN1CCN1CCC12CCOCC2 ZINC000683524513 488184866 /nfs/dbraw/zinc/18/48/66/488184866.db2.gz BPUDFDZASKNHMT-UHFFFAOYSA-N 0 3 238.331 0.864 20 0 BCADHN CC(=O)Nc1ccc(NC(=O)[C@H](C)N)cc1 ZINC000011957798 342845123 /nfs/dbraw/zinc/84/51/23/342845123.db2.gz WGGWZCCSZBZCJP-ZETCQYMHSA-N 0 3 221.260 0.931 20 0 BCADHN O[C@H]1CCN(CCNCc2cccnc2)C1 ZINC000623836131 342846054 /nfs/dbraw/zinc/84/60/54/342846054.db2.gz MJDAEGFGLWTDNI-LBPRGKRZSA-N 0 3 221.304 0.238 20 0 BCADHN C[C@@H]1OCC[C@]1(C)N[C@H]1CCCN(C)C1=O ZINC000309745028 342846333 /nfs/dbraw/zinc/84/63/33/342846333.db2.gz FHYVJSFUEVFZMB-NHCYSSNCSA-N 0 3 226.320 0.764 20 0 BCADHN CN1CCCN(CCOC2CCOCC2)CC1 ZINC000625063343 342847542 /nfs/dbraw/zinc/84/75/42/342847542.db2.gz KJIZGXHCLFVOBX-UHFFFAOYSA-N 0 3 242.363 0.820 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCN(C(=O)CN(C)C)CC1 ZINC000625081967 342850075 /nfs/dbraw/zinc/85/00/75/342850075.db2.gz VSCGNDLBOUHEJB-NEPJUHHUSA-N 0 3 239.363 0.348 20 0 BCADHN C[C@@H](NC(=O)CN(C)C(C)(C)C)C(=O)N(C)C ZINC000583992398 342852563 /nfs/dbraw/zinc/85/25/63/342852563.db2.gz KGJQYBICKLJNNQ-SECBINFHSA-N 0 3 243.351 0.310 20 0 BCADHN O[C@H]1CCN(CCNCc2ccncc2)C1 ZINC000623836334 342854834 /nfs/dbraw/zinc/85/48/34/342854834.db2.gz VWKWPSNMYMLPNU-LBPRGKRZSA-N 0 3 221.304 0.238 20 0 BCADHN COC[C@@H](C)NCC(=O)N(C)CC(F)(F)F ZINC000165010174 342865962 /nfs/dbraw/zinc/86/59/62/342865962.db2.gz ZXPKAMDIMKXMIS-SSDOTTSWSA-N 0 3 242.241 0.632 20 0 BCADHN N[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1)C1CCC1 ZINC000399169989 398304706 /nfs/dbraw/zinc/30/47/06/398304706.db2.gz IACUWZSMJPLXCR-PWSUYJOCSA-N 0 3 237.347 0.467 20 0 BCADHN COC(=O)[C@H](C)CN(C)Cc1c[nH]nc1C ZINC000091987457 398304787 /nfs/dbraw/zinc/30/47/87/398304787.db2.gz QTCLXCHPSVPJHN-MRVPVSSYSA-N 0 3 225.292 0.959 20 0 BCADHN CCN(C)S(=O)(=O)NC[C@H](C)N(C)C1CC1 ZINC000072709467 398308310 /nfs/dbraw/zinc/30/83/10/398308310.db2.gz FHFRJQGBPXCKOW-VIFPVBQESA-N 0 3 249.380 0.255 20 0 BCADHN CCNC(=O)C(C)(C)NC[C@H](CC)OC ZINC000312876174 259327380 /nfs/dbraw/zinc/32/73/80/259327380.db2.gz IRGMDRSNSLOGHG-VIFPVBQESA-N 0 3 216.325 0.916 20 0 BCADHN CN1CCC[C@H]1CNC(=O)CC1CSC1 ZINC000631286826 342856220 /nfs/dbraw/zinc/85/62/20/342856220.db2.gz ZVTJQNXSIXCBIY-JTQLQIEISA-N 0 3 228.361 0.950 20 0 BCADHN CCN(CCOC)C[C@@H](O)CC1(O)CCC1 ZINC000625101590 342856535 /nfs/dbraw/zinc/85/65/35/342856535.db2.gz QVPLXZNKYRXMCB-NSHDSACASA-N 0 3 231.336 0.621 20 0 BCADHN COCCCN(C)CCc1cn(C)nn1 ZINC000625107420 342858908 /nfs/dbraw/zinc/85/89/08/342858908.db2.gz SWURSBCBKOQNHW-UHFFFAOYSA-N 0 3 212.297 0.326 20 0 BCADHN C[C@@H](Cn1ccnc1)NCc1cnnn1C ZINC000129710206 398309660 /nfs/dbraw/zinc/30/96/60/398309660.db2.gz MRKLWAYONXXTLZ-VIFPVBQESA-N 0 3 220.280 0.190 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)[C@H](N)CC ZINC000309775078 342894825 /nfs/dbraw/zinc/89/48/25/342894825.db2.gz LLFCTMAUORXYPC-NXEZZACHSA-N 0 3 213.325 0.324 20 0 BCADHN C[C@@H](N)C(=O)NC1Cc2ccccc2C1 ZINC000034328449 342881086 /nfs/dbraw/zinc/88/10/86/342881086.db2.gz FAVMEEOITGPUKC-MRVPVSSYSA-N 0 3 204.273 0.617 20 0 BCADHN CN(C)C(=O)CCCN(C)[C@H]1CCN(C)C1=O ZINC000584002387 342899636 /nfs/dbraw/zinc/89/96/36/342899636.db2.gz XSEMOGWZZVIRHV-JTQLQIEISA-N 0 3 241.335 0.017 20 0 BCADHN C[C@@H](O)CCN(C)C[C@@H](O)CC1(O)CCC1 ZINC000625185314 342904684 /nfs/dbraw/zinc/90/46/84/342904684.db2.gz WLVAMACZUMSSIY-MNOVXSKESA-N 0 3 231.336 0.355 20 0 BCADHN CSC[C@@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000300769034 259327686 /nfs/dbraw/zinc/32/76/86/259327686.db2.gz XWPSZPZJHPQHRE-ZJUUUORDSA-N 0 3 245.392 0.087 20 0 BCADHN CC(C)NCC(=O)NCc1cccnc1 ZINC000037477099 488186323 /nfs/dbraw/zinc/18/63/23/488186323.db2.gz CLIVDUPUDMGUSP-UHFFFAOYSA-N 0 3 207.277 0.696 20 0 BCADHN COCC[C@H](C)NC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000167453467 136246364 /nfs/dbraw/zinc/24/63/64/136246364.db2.gz QVLWFFTVTHCHKU-GARJFASQSA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](N)C(C)C)CCO1 ZINC000036770013 342911031 /nfs/dbraw/zinc/91/10/31/342911031.db2.gz JHENNEPSEMJZDA-VHSXEESVSA-N 0 3 214.309 0.607 20 0 BCADHN O=C(CN[C@@H]1CCSC1)NC1CC1 ZINC000036782313 342911123 /nfs/dbraw/zinc/91/11/23/342911123.db2.gz XWHPTBFJCNWTPA-MRVPVSSYSA-N 0 3 200.307 0.360 20 0 BCADHN CC(C)NCC(=O)N[C@@H](C)Cn1cccn1 ZINC000037477206 488186367 /nfs/dbraw/zinc/18/63/67/488186367.db2.gz ZDJQRIYZFVACDU-JTQLQIEISA-N 0 3 224.308 0.386 20 0 BCADHN CC(C)NCC(=O)N[C@H](C)Cn1cccn1 ZINC000037477207 488186379 /nfs/dbraw/zinc/18/63/79/488186379.db2.gz ZDJQRIYZFVACDU-SNVBAGLBSA-N 0 3 224.308 0.386 20 0 BCADHN Cc1n[nH]cc1CNCCn1cccn1 ZINC000042351624 398323085 /nfs/dbraw/zinc/32/30/85/398323085.db2.gz OFXCRTBPOBYNOO-UHFFFAOYSA-N 0 3 205.265 0.704 20 0 BCADHN CCOC[C@H](NC(=O)[C@H](C)NC)C(C)C ZINC000233757614 342912319 /nfs/dbraw/zinc/91/23/19/342912319.db2.gz SUYXYTYYMMIXCJ-UWVGGRQHSA-N 0 3 216.325 0.772 20 0 BCADHN CCC[C@H](N)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000036872602 342912372 /nfs/dbraw/zinc/91/23/72/342912372.db2.gz IBOJBRYZJLGYLR-AEJSXWLSSA-N 0 3 214.309 0.750 20 0 BCADHN c1snnc1CNCCN1CCCC1 ZINC000036902034 342913097 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CO[C@@H](C)CCC(=O)N1CCCNCC1 ZINC000166700025 343208083 /nfs/dbraw/zinc/20/80/83/343208083.db2.gz IHAMLIOAMUEPMT-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CO[C@H](C)CCC(=O)N1CCCNCC1 ZINC000166700123 343208139 /nfs/dbraw/zinc/20/81/39/343208139.db2.gz IHAMLIOAMUEPMT-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CC(=O)NCCN(C)[C@H]1CCCC[C@@H]1O ZINC000166890662 343208569 /nfs/dbraw/zinc/20/85/69/343208569.db2.gz ZTBNMOPCEFOBIF-QWRGUYRKSA-N 0 3 214.309 0.358 20 0 BCADHN COCC1(N(C)C[C@H](O)CC2(O)CCC2)CC1 ZINC000625273639 343210986 /nfs/dbraw/zinc/21/09/86/343210986.db2.gz FHRQXVKKWLLJJV-LLVKDONJSA-N 0 3 243.347 0.763 20 0 BCADHN COCC1(N(C)C[C@@H](O)CC2(O)CCC2)CC1 ZINC000625273640 343211372 /nfs/dbraw/zinc/21/13/72/343211372.db2.gz FHRQXVKKWLLJJV-NSHDSACASA-N 0 3 243.347 0.763 20 0 BCADHN CC(C)N1CCC[C@@H](N2CC[C@@](C)(O)C2)C1=O ZINC000177985248 343213862 /nfs/dbraw/zinc/21/38/62/343213862.db2.gz NZWLLNZWYMCMKG-DGCLKSJQSA-N 0 3 240.347 0.843 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000237874806 343214641 /nfs/dbraw/zinc/21/46/41/343214641.db2.gz ZFKNMFPCNYCYNP-UTUOFQBUSA-N 0 3 238.331 0.812 20 0 BCADHN CCO[C@@H](CN1CC[C@@H](NC(N)=O)C1)C1CC1 ZINC000625278224 343218215 /nfs/dbraw/zinc/21/82/15/343218215.db2.gz RMJPJMWGBSOIAI-MNOVXSKESA-N 0 3 241.335 0.544 20 0 BCADHN C[C@@H]1SCCN(C(=O)C2(N)CC2)[C@H]1C ZINC000132343834 343187871 /nfs/dbraw/zinc/18/78/71/343187871.db2.gz XKCOHEGZCGUPCT-YUMQZZPRSA-N 0 3 214.334 0.830 20 0 BCADHN C[C@H]1SCCN(C(=O)C2(N)CC2)[C@@H]1C ZINC000132344020 343188323 /nfs/dbraw/zinc/18/83/23/343188323.db2.gz XKCOHEGZCGUPCT-HTQZYQBOSA-N 0 3 214.334 0.830 20 0 BCADHN C[C@@H](NC(=O)NC[C@H](C)N(C)C)C(F)F ZINC000641003312 362117842 /nfs/dbraw/zinc/11/78/42/362117842.db2.gz HVTYDBFOIKUCQU-NKWVEPMBSA-N 0 3 223.267 0.889 20 0 BCADHN Cc1ccc(C(=O)NC[C@H]2CNCCO2)c(C)n1 ZINC000134255433 343193843 /nfs/dbraw/zinc/19/38/43/343193843.db2.gz CRFNTOYFMFJABA-LLVKDONJSA-N 0 3 249.314 0.417 20 0 BCADHN CN1CCC[C@@H](NC(=O)COCC(F)F)C1 ZINC000625297982 343226390 /nfs/dbraw/zinc/22/63/90/343226390.db2.gz OHJPNSKNGMDSLP-MRVPVSSYSA-N 0 3 236.262 0.479 20 0 BCADHN CC[C@H](O)CN1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000496407086 529697290 /nfs/dbraw/zinc/69/72/90/529697290.db2.gz RNSVHQULYYSMGO-WDEREUQCSA-N 0 3 244.335 0.920 20 0 BCADHN CCc1cccc(CNC[C@H](O)CO)c1 ZINC000569728672 323039190 /nfs/dbraw/zinc/03/91/90/323039190.db2.gz XPNYCKFSLWUHFT-LBPRGKRZSA-N 0 3 209.289 0.692 20 0 BCADHN Cn1cc(CCN[C@H](CO)c2ccccc2)nn1 ZINC000625308017 343230668 /nfs/dbraw/zinc/23/06/68/343230668.db2.gz BPQNEGXRMNPHNI-CYBMUJFWSA-N 0 3 246.314 0.681 20 0 BCADHN COc1cncc(CN[C@H](CO)C(C)C)n1 ZINC000625309597 343232176 /nfs/dbraw/zinc/23/21/76/343232176.db2.gz JUXQZJPJCSJFIW-SNVBAGLBSA-N 0 3 225.292 0.592 20 0 BCADHN CN(CCc1cn(C)nn1)CC1(O)CCC1 ZINC000625323717 343232681 /nfs/dbraw/zinc/23/26/81/343232681.db2.gz DHGDJRNIFNRAEW-UHFFFAOYSA-N 0 3 224.308 0.204 20 0 BCADHN C[C@@H](NCC(=O)NCC(C)(C)C)[C@H](C)CO ZINC000625324942 343233196 /nfs/dbraw/zinc/23/31/96/343233196.db2.gz CZEWYWKICGJVCY-NXEZZACHSA-N 0 3 230.352 0.755 20 0 BCADHN CC1(C)CN(C[C@@H]2CNCCO2)CCO1 ZINC000043802310 488208473 /nfs/dbraw/zinc/20/84/73/488208473.db2.gz MBTGRESCHYLDAO-JTQLQIEISA-N 0 3 214.309 0.086 20 0 BCADHN Cn1cncc1CN[C@@H]1CCN(CC2CC2)C1 ZINC000108424021 343242699 /nfs/dbraw/zinc/24/26/99/343242699.db2.gz SBEZGNKVCGADET-GFCCVEGCSA-N 0 3 234.347 0.994 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000187828377 187250134 /nfs/dbraw/zinc/25/01/34/187250134.db2.gz XTKUJLJHDCKWGX-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN Cn1nccc1CCN1CCNC[C@](C)(F)C1 ZINC000634688104 343247416 /nfs/dbraw/zinc/24/74/16/343247416.db2.gz IGXURZMQJOESHQ-LBPRGKRZSA-N 0 3 240.326 0.596 20 0 BCADHN CC[C@@H](C(N)=O)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000641022294 362138186 /nfs/dbraw/zinc/13/81/86/362138186.db2.gz WBGLBGMBHAMMJP-DTWKUNHWSA-N 0 3 239.323 0.760 20 0 BCADHN COCCN(C[C@H](O)COC)C1CC1 ZINC000068891145 343251620 /nfs/dbraw/zinc/25/16/20/343251620.db2.gz NMOKGDGNCADWRW-JTQLQIEISA-N 0 3 203.282 0.105 20 0 BCADHN CCOCCN(CC)C[C@@H](O)COC ZINC000068891342 343251645 /nfs/dbraw/zinc/25/16/45/343251645.db2.gz YIQMPOWJUNVZKV-SNVBAGLBSA-N 0 3 205.298 0.352 20 0 BCADHN COC[C@@H](C)N[C@H]1CCCS(=O)(=O)C1 ZINC000068939346 343253446 /nfs/dbraw/zinc/25/34/46/343253446.db2.gz FRAYWSKKRYCJJS-BDAKNGLRSA-N 0 3 221.322 0.188 20 0 BCADHN CC(C)(C)[C@@H](N)c1cn([C@H]2CCNC2=O)nn1 ZINC000641045428 362155459 /nfs/dbraw/zinc/15/54/59/362155459.db2.gz KSNNWDKWGILIDI-IUCAKERBSA-N 0 3 237.307 0.385 20 0 BCADHN CC[C@@](C)(N)c1cn([C@H]2CCCNC2=O)nn1 ZINC000641052159 362161870 /nfs/dbraw/zinc/16/18/70/362161870.db2.gz QOYSQSRQQFLLCK-GZMMTYOYSA-N 0 3 237.307 0.313 20 0 BCADHN CCC[C@@H](N)c1cn([C@H]2CCCNC2=O)nn1 ZINC000641051842 362161263 /nfs/dbraw/zinc/16/12/63/362161263.db2.gz PHCVEAFXMDZFGB-SCZZXKLOSA-N 0 3 237.307 0.529 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cccc(C)n1 ZINC000051576813 343258961 /nfs/dbraw/zinc/25/89/61/343258961.db2.gz HRBYFQLXNBZYDW-SNVBAGLBSA-N 0 3 207.277 0.744 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2cc[nH]n2)nn1 ZINC000641048787 362159092 /nfs/dbraw/zinc/15/90/92/362159092.db2.gz DCMIWZXGFLIRBO-JTQLQIEISA-N 0 3 220.280 0.633 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C/c2ccnn2C)[C@@H](C)CN1 ZINC000272619670 187337143 /nfs/dbraw/zinc/33/71/43/187337143.db2.gz UNOOEQGXBSANMV-ZJRFNNFUSA-N 0 3 248.330 0.642 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCCC2)C[C@@H]1CO ZINC000621363763 343267747 /nfs/dbraw/zinc/26/77/47/343267747.db2.gz WYYINZPCMXINNT-VXGBXAGGSA-N 0 3 240.347 0.559 20 0 BCADHN CC[C@@H](N)c1cn(Cc2cc(C)n(C)n2)nn1 ZINC000641038121 362149706 /nfs/dbraw/zinc/14/97/06/362149706.db2.gz PBCZITDTAOXJMJ-SNVBAGLBSA-N 0 3 234.307 0.778 20 0 BCADHN CCC[C@H](N)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000036872772 343326054 /nfs/dbraw/zinc/32/60/54/343326054.db2.gz MEQUVVQKURZFEF-JTQLQIEISA-N 0 3 235.287 0.851 20 0 BCADHN CC(C)(CNCc1cc[nH]n1)N1CCOCC1 ZINC000036900116 343326824 /nfs/dbraw/zinc/32/68/24/343326824.db2.gz IKWRIHHULZMQBR-UHFFFAOYSA-N 0 3 238.335 0.610 20 0 BCADHN CC[C@H](O)CN1CC[C@H](OC(=O)N(C)C)C1 ZINC000496083380 529702232 /nfs/dbraw/zinc/70/22/32/529702232.db2.gz NHWXATGKIQKSCD-UWVGGRQHSA-N 0 3 230.308 0.530 20 0 BCADHN C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCCCN1 ZINC000036999317 343330232 /nfs/dbraw/zinc/33/02/32/343330232.db2.gz JVYRBNWAIPAAJH-QWRGUYRKSA-N 0 3 236.319 0.530 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CCO[C@H](C)C1 ZINC000069861811 343293076 /nfs/dbraw/zinc/29/30/76/343293076.db2.gz CXMJFBNERGJUDF-NXEZZACHSA-N 0 3 214.309 0.668 20 0 BCADHN CC(C)NC(=O)CN[C@H]1CCO[C@@H](C)C1 ZINC000069861821 343293334 /nfs/dbraw/zinc/29/33/34/343293334.db2.gz CXMJFBNERGJUDF-UWVGGRQHSA-N 0 3 214.309 0.668 20 0 BCADHN CC[C@@H](N)C(=O)N1CCN(C2CCCC2)CC1 ZINC000052062732 343300099 /nfs/dbraw/zinc/30/00/99/343300099.db2.gz SYRDUMASZNEJNX-GFCCVEGCSA-N 0 3 239.363 0.811 20 0 BCADHN CC[C@H](N)c1cn(Cc2ccnc(OC)n2)nn1 ZINC000641052745 362162422 /nfs/dbraw/zinc/16/24/22/362162422.db2.gz VNIZNKFPEOBQOG-VIFPVBQESA-N 0 3 248.290 0.535 20 0 BCADHN C[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC000678171751 488211140 /nfs/dbraw/zinc/21/11/40/488211140.db2.gz KNNRGROJKZRHNT-MWLCHTKSSA-N 0 3 222.288 0.198 20 0 BCADHN C[C@H](CNC(=O)NCC1COC1)N(C)C1CC1 ZINC000623725509 343300942 /nfs/dbraw/zinc/30/09/42/343300942.db2.gz ASHVMTSKFKBIBV-SECBINFHSA-N 0 3 241.335 0.415 20 0 BCADHN C[C@@H]1CCN([C@@H]2CCCNC2=O)C[C@H]1CO ZINC000621370060 343304621 /nfs/dbraw/zinc/30/46/21/343304621.db2.gz BABGZCXUMWHXKW-OUAUKWLOSA-N 0 3 226.320 0.215 20 0 BCADHN Cc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2)cc1F ZINC000020434368 343305755 /nfs/dbraw/zinc/30/57/55/343305755.db2.gz PMBRGYDWPREQCV-KOLCDFICSA-N 0 3 238.262 0.795 20 0 BCADHN CCC[C@H](C)[C@@H](CO)NCC(=O)NCC1CC1 ZINC000584056522 343308517 /nfs/dbraw/zinc/30/85/17/343308517.db2.gz UBTAVJFIOAXQAA-CMPLNLGQSA-N 0 3 242.363 0.899 20 0 BCADHN C[C@H]1CCN(Cc2cn[nH]c2)C[C@@H]1CO ZINC000621371407 343308732 /nfs/dbraw/zinc/30/87/32/343308732.db2.gz CKLAGQVGKGHPFU-GXSJLCMTSA-N 0 3 209.293 0.860 20 0 BCADHN COCCCCCN[C@]1(C(N)=O)CCOC1 ZINC000584061702 343310701 /nfs/dbraw/zinc/31/07/01/343310701.db2.gz SKVUXDRLMATUDK-LLVKDONJSA-N 0 3 230.308 0.037 20 0 BCADHN CCN(CCO)C[C@H](O)COC(C)C ZINC000070192350 343311748 /nfs/dbraw/zinc/31/17/48/343311748.db2.gz KBZUXOAHTBZPFS-JTQLQIEISA-N 0 3 205.298 0.087 20 0 BCADHN CC(=O)NCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000036746463 187253801 /nfs/dbraw/zinc/25/38/01/187253801.db2.gz WNEMMDOCGRKKSF-GFCCVEGCSA-N 0 3 249.314 0.329 20 0 BCADHN N[C@@H](Cc1ccccc1)C(=O)NC1CCOCC1 ZINC000036319720 343315186 /nfs/dbraw/zinc/31/51/86/343315186.db2.gz AAKCHYBIANCIOQ-ZDUSSCGKSA-N 0 3 248.326 0.852 20 0 BCADHN CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCCN1 ZINC000037800715 343355621 /nfs/dbraw/zinc/35/56/21/343355621.db2.gz PFYWVXPLMHVLPX-NSHDSACASA-N 0 3 236.319 0.521 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000037818357 343357102 /nfs/dbraw/zinc/35/71/02/343357102.db2.gz DWBIMIXFAAKDNU-JQWIXIFHSA-N 0 3 234.299 0.934 20 0 BCADHN CC(C)(C)OC(=O)CCN(CCO)CCO ZINC000075714023 343363549 /nfs/dbraw/zinc/36/35/49/343363549.db2.gz ZAGGFRKRJMIYQS-UHFFFAOYSA-N 0 3 233.308 0.005 20 0 BCADHN CC1(C)CN(CCOC2CCOCC2)C[C@H]1O ZINC000625380126 343367732 /nfs/dbraw/zinc/36/77/32/343367732.db2.gz AXIAJKNUPLGJNV-GFCCVEGCSA-N 0 3 243.347 0.885 20 0 BCADHN CCn1ccc(=NC(=O)CC2(N)CC2)[nH]1 ZINC000398148983 488212797 /nfs/dbraw/zinc/21/27/97/488212797.db2.gz FQNYRKKCKDPVGV-UHFFFAOYSA-N 0 3 208.265 0.145 20 0 BCADHN C[C@@H](CNC(=O)[C@@H](N)Cc1ccccc1)N(C)C ZINC000038089226 343370362 /nfs/dbraw/zinc/37/03/62/343370362.db2.gz LCGLZGUTFIYPSW-AAEUAGOBSA-N 0 3 249.358 0.623 20 0 BCADHN Cc1ccc(NC(=O)C(=O)NC2CNC2)cc1C ZINC000335635825 136300856 /nfs/dbraw/zinc/30/08/56/136300856.db2.gz FXYAANOXUDDVGI-UHFFFAOYSA-N 0 3 247.298 0.330 20 0 BCADHN Cc1nn(C)cc1CNCCc1cncn1C ZINC000401801830 343375867 /nfs/dbraw/zinc/37/58/67/343375867.db2.gz NNSRRWCYFWVUMG-UHFFFAOYSA-N 0 3 233.319 0.794 20 0 BCADHN COCCN1CCN(CC(C)(C)O)CC1 ZINC000070557900 343334702 /nfs/dbraw/zinc/33/47/02/343334702.db2.gz FPMZWFDUQQTBGB-UHFFFAOYSA-N 0 3 216.325 0.021 20 0 BCADHN CNCCN(C)S(=O)(=O)CC(C)(C)C ZINC000070633748 343336490 /nfs/dbraw/zinc/33/64/90/343336490.db2.gz RPEBDCJSKPNXIF-UHFFFAOYSA-N 0 3 222.354 0.514 20 0 BCADHN C[C@@H](Cn1ccnc1)NCc1ccnn1C ZINC000037158284 343337283 /nfs/dbraw/zinc/33/72/83/343337283.db2.gz OOEHZSUEKGOZBW-JTQLQIEISA-N 0 3 219.292 0.795 20 0 BCADHN CN(C)CCc1cn(Cc2ccns2)nn1 ZINC000641066505 362175704 /nfs/dbraw/zinc/17/57/04/362175704.db2.gz QAZNDUZIZVDLKZ-UHFFFAOYSA-N 0 3 237.332 0.887 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H]1CCCOC1 ZINC000071023455 343342742 /nfs/dbraw/zinc/34/27/42/343342742.db2.gz PHJIPUSGUJDXFF-ZJUUUORDSA-N 0 3 214.309 0.655 20 0 BCADHN Cc1ccc(CN(C)CCC(N)=O)nc1 ZINC000348831828 136303210 /nfs/dbraw/zinc/30/32/10/136303210.db2.gz GPQORTKUOGRIOO-UHFFFAOYSA-N 0 3 207.277 0.697 20 0 BCADHN O=C(NCCNc1ccncc1)c1cc[nH]c1 ZINC000348895401 136303836 /nfs/dbraw/zinc/30/38/36/136303836.db2.gz SHIYYDOTNAWFRY-UHFFFAOYSA-N 0 3 230.271 0.674 20 0 BCADHN Cn1ccc(NC(=O)[C@H]2CCCCN2)n1 ZINC000037471742 343346239 /nfs/dbraw/zinc/34/62/39/343346239.db2.gz PKALOUXXGNNEQF-MRVPVSSYSA-N 0 3 208.265 0.501 20 0 BCADHN N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCOC1 ZINC000037739125 343353405 /nfs/dbraw/zinc/35/34/05/343353405.db2.gz ZTWIJWYCLDHDST-QWHCGFSZSA-N 0 3 248.326 0.709 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)c2ccco2)C1 ZINC000335652059 136305201 /nfs/dbraw/zinc/30/52/01/136305201.db2.gz VISWAPCZLVZTCM-LLVKDONJSA-N 0 3 224.260 0.076 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(=O)n(C)c1 ZINC000037770295 343354780 /nfs/dbraw/zinc/35/47/80/343354780.db2.gz IFNNVAPVEHFNTG-KCJUWKMLSA-N 0 3 237.303 0.697 20 0 BCADHN C[C@H](CN1CCCC1=O)NCc1cnn(C)c1 ZINC000037782834 343354892 /nfs/dbraw/zinc/35/48/92/343354892.db2.gz MUCXXFLEXDHUHK-SNVBAGLBSA-N 0 3 236.319 0.521 20 0 BCADHN O=C(CCOC1CNC1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000349022572 136317509 /nfs/dbraw/zinc/31/75/09/136317509.db2.gz AFYGASHIRPDQEY-PHIMTYICSA-N 0 3 238.331 0.623 20 0 BCADHN COC(=O)CN1CCN(C)[C@H](C(C)(C)C)C1 ZINC000602874096 349805986 /nfs/dbraw/zinc/80/59/86/349805986.db2.gz NAPRXKZGTPZNPS-JTQLQIEISA-N 0 3 228.336 0.822 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@H](O)C1(C)C ZINC000335675000 136318151 /nfs/dbraw/zinc/31/81/51/136318151.db2.gz RJFLSDJBFHVOCM-SNVBAGLBSA-N 0 3 228.336 0.698 20 0 BCADHN Cn1nccc1C(=O)N[C@@H]1CNCCC1(F)F ZINC000335652706 136305744 /nfs/dbraw/zinc/30/57/44/136305744.db2.gz AGLUIDAGUILARI-MRVPVSSYSA-N 0 3 244.245 0.147 20 0 BCADHN Cn1cc(C(=O)N[C@H]2CNCCC2(F)F)cn1 ZINC000335654009 136306080 /nfs/dbraw/zinc/30/60/80/136306080.db2.gz OVNMZXNXYBWROJ-QMMMGPOBSA-N 0 3 244.245 0.147 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)c1ccon1 ZINC000335654355 136306153 /nfs/dbraw/zinc/30/61/53/136306153.db2.gz UAGPMCZIDNSGIS-SSDOTTSWSA-N 0 3 231.202 0.402 20 0 BCADHN Cc1cc(C)c(C(=O)NC[C@H]2CNCCO2)[nH]1 ZINC000335656669 136306483 /nfs/dbraw/zinc/30/64/83/136306483.db2.gz NEWPRLOMJJOYPM-SNVBAGLBSA-N 0 3 237.303 0.350 20 0 BCADHN CNCC(=O)N1CC[C@H](C)C[C@@H]1C(N)=O ZINC000335658031 136306988 /nfs/dbraw/zinc/30/69/88/136306988.db2.gz SSAIMIMMJAOANS-JGVFFNPUSA-N 0 3 213.281 0.368 20 0 BCADHN COC[C@H](C)N(C)CCNC(=O)N(C)C ZINC000348945461 136309858 /nfs/dbraw/zinc/30/98/58/136309858.db2.gz BQAXAUWCZPCVBV-VIFPVBQESA-N 0 3 217.313 0.224 20 0 BCADHN Cc1cncc(NC(=O)CCOC2CNC2)c1 ZINC000349009554 136311047 /nfs/dbraw/zinc/31/10/47/136311047.db2.gz XHLHZBKACFIXAP-UHFFFAOYSA-N 0 3 235.287 0.707 20 0 BCADHN CO[C@@H](CNC(=O)CCOC1CNC1)C(C)C ZINC000348989617 136314198 /nfs/dbraw/zinc/31/41/98/136314198.db2.gz CZDBPEWVKXQECA-NSHDSACASA-N 0 3 244.335 0.152 20 0 BCADHN CC[C@@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000348989687 136314204 /nfs/dbraw/zinc/31/42/04/136314204.db2.gz DEQBDIVKMFPCKC-SNVBAGLBSA-N 0 3 242.319 0.002 20 0 BCADHN CC[C@H](C)[C@@H](C)NC(=O)CCOC1CNC1 ZINC000348994993 136314387 /nfs/dbraw/zinc/31/43/87/136314387.db2.gz UUUVCZOSKZFAMI-VHSXEESVSA-N 0 3 228.336 0.916 20 0 BCADHN O=C([C@@H]1CCN(Cc2cn[nH]c2)C1)N1CCCC1 ZINC000685472900 487535349 /nfs/dbraw/zinc/53/53/49/487535349.db2.gz QZUGAYRSUIAHHL-GFCCVEGCSA-N 0 3 248.330 0.854 20 0 BCADHN CN(Cc1ccccn1)C(=O)CCOC1CNC1 ZINC000348997426 136314670 /nfs/dbraw/zinc/31/46/70/136314670.db2.gz YUXHOVHYZDMLTE-UHFFFAOYSA-N 0 3 249.314 0.419 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCCOCC1 ZINC000335661577 136315234 /nfs/dbraw/zinc/31/52/34/136315234.db2.gz DMRCXFDTIJVUOC-VIFPVBQESA-N 0 3 212.293 0.376 20 0 BCADHN CC1(NC(=O)CCOC2CNC2)CCCC1 ZINC000349000432 136315271 /nfs/dbraw/zinc/31/52/71/136315271.db2.gz NEUFANCYMNPXBF-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN C[C@H]1C[C@H](C)CN(C(=O)CCOC2CNC2)C1 ZINC000349004254 136316077 /nfs/dbraw/zinc/31/60/77/136316077.db2.gz RAVCLWZKSSIDHM-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H]1C[C@H](C)N(C(=O)CCOC2CNC2)C1 ZINC000349055880 136321458 /nfs/dbraw/zinc/32/14/58/136321458.db2.gz PKYGFVJGIHWUTK-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000349056065 136321659 /nfs/dbraw/zinc/32/16/59/136321659.db2.gz KMGXHOAKTNWNQU-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H]1COC[C@H](C)N1C(=O)CCOC1CNC1 ZINC000349060672 136321682 /nfs/dbraw/zinc/32/16/82/136321682.db2.gz VLWKTSRMOYSFAQ-UWVGGRQHSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1Cc1cc[nH]n1 ZINC000335680280 136322368 /nfs/dbraw/zinc/32/23/68/136322368.db2.gz WTFRJAWGSACWQM-VHSXEESVSA-N 0 3 208.309 0.934 20 0 BCADHN C[C@H](O)CCCn1cc(CCN(C)C)nn1 ZINC000641078015 362185070 /nfs/dbraw/zinc/18/50/70/362185070.db2.gz BZRWXQBGIVJDLE-JTQLQIEISA-N 0 3 226.324 0.543 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1cncn1C ZINC000349092596 136323098 /nfs/dbraw/zinc/32/30/98/136323098.db2.gz GXHDFZLECRIPIY-UHFFFAOYSA-N 0 3 238.335 0.834 20 0 BCADHN CCO[C@H](CN[C@@H]1C(=O)NCC[C@H]1C)C1CC1 ZINC000625395394 343387877 /nfs/dbraw/zinc/38/78/77/343387877.db2.gz ZTOXNRRVIJXSCC-JLLWLGSASA-N 0 3 240.347 0.916 20 0 BCADHN CN(C)Cc1ccc(NC(=O)CO)c(F)c1 ZINC000622704307 343391159 /nfs/dbraw/zinc/39/11/59/343391159.db2.gz XAICKOYDMXYROX-UHFFFAOYSA-N 0 3 226.251 0.818 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C2(O)CCC2)CCN1C ZINC000335680718 136328758 /nfs/dbraw/zinc/32/87/58/136328758.db2.gz KSNFNDKGXQAZAQ-UWVGGRQHSA-N 0 3 226.320 0.500 20 0 BCADHN C[C@@H](Cn1ccnc1)NC(=O)[C@@H](N)C(C)(C)C ZINC000040462035 343404530 /nfs/dbraw/zinc/40/45/30/343404530.db2.gz ILNCKVRFQOZOKD-VHSXEESVSA-N 0 3 238.335 0.761 20 0 BCADHN CCCN1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC000619904767 343407318 /nfs/dbraw/zinc/40/73/18/343407318.db2.gz QNZPIQSRSLGUMK-SECBINFHSA-N 0 3 237.307 0.029 20 0 BCADHN C[C@H](N)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000040809137 343409522 /nfs/dbraw/zinc/40/95/22/343409522.db2.gz OMRQEMQQXCMUSB-CMPLNLGQSA-N 0 3 235.331 0.753 20 0 BCADHN C[C@H](N)C(=O)NCCN(C)c1ccccc1 ZINC000040833266 343409934 /nfs/dbraw/zinc/40/99/34/343409934.db2.gz QPTIHEYPEVEZDH-JTQLQIEISA-N 0 3 221.304 0.586 20 0 BCADHN C[C@@H](N)C(=O)NCCCN1CCc2ccccc21 ZINC000040831571 343410101 /nfs/dbraw/zinc/41/01/01/343410101.db2.gz VAKKVQCTUYLRNT-LLVKDONJSA-N 0 3 247.342 0.903 20 0 BCADHN Cn1cc(CNC(=O)[C@H]2CCCCN2)cn1 ZINC000041055059 343414113 /nfs/dbraw/zinc/41/41/13/343414113.db2.gz PVALZHSMUXEMTK-SNVBAGLBSA-N 0 3 222.292 0.178 20 0 BCADHN CCC[C@](C)(N)C(=O)NCc1cnn(C)c1 ZINC000041055136 343414224 /nfs/dbraw/zinc/41/42/24/343414224.db2.gz YGPBOXBVTBFUBH-NSHDSACASA-N 0 3 224.308 0.554 20 0 BCADHN CCOC(=O)CCCNC(=O)[C@H](N)CC ZINC000081548433 343417847 /nfs/dbraw/zinc/41/78/47/343417847.db2.gz KHIQKXHUUILEJT-MRVPVSSYSA-N 0 3 216.281 0.183 20 0 BCADHN C[C@@H](O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000335679532 136319996 /nfs/dbraw/zinc/31/99/96/136319996.db2.gz CJKBYTCAPDJUPY-ZJUUUORDSA-N 0 3 228.336 0.604 20 0 BCADHN CN(CC1CCC1)C(=O)CCOC1CNC1 ZINC000349033437 136320385 /nfs/dbraw/zinc/32/03/85/136320385.db2.gz ZSELHQJHKLJYDG-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H](CC1CC1)NC(=O)CCOC1CNC1 ZINC000349047453 136321121 /nfs/dbraw/zinc/32/11/21/136321121.db2.gz GSBMOWKXSNKWCT-SECBINFHSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H]1CN(C(=O)CCOC2CNC2)CCCO1 ZINC000349053926 136321157 /nfs/dbraw/zinc/32/11/57/136321157.db2.gz NOOBUUIRZGSGBT-SNVBAGLBSA-N 0 3 242.319 0.002 20 0 BCADHN CCOCCCCNC(=O)CCOC1CNC1 ZINC000349054509 136321213 /nfs/dbraw/zinc/32/12/13/136321213.db2.gz NTGBIWCPFBKSEX-UHFFFAOYSA-N 0 3 244.335 0.298 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCC(C)(O)CC1 ZINC000335722775 136344177 /nfs/dbraw/zinc/34/41/77/136344177.db2.gz QHUAGFSXTBTQHR-JTQLQIEISA-N 0 3 243.351 0.493 20 0 BCADHN CCn1c(CCNC(=O)CN)nc2ccccc21 ZINC000166315546 136344325 /nfs/dbraw/zinc/34/43/25/136344325.db2.gz APNPUSFWUZJPSS-UHFFFAOYSA-N 0 3 246.314 0.674 20 0 BCADHN O=C(CN1CCC[C@H]2COCC[C@H]21)NC1CC1 ZINC000335723761 136346446 /nfs/dbraw/zinc/34/64/46/136346446.db2.gz ISJDTRFNZAEMKK-CMPLNLGQSA-N 0 3 238.331 0.766 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@H]2COCC[C@@H]21 ZINC000335723728 136346712 /nfs/dbraw/zinc/34/67/12/136346712.db2.gz DSNGKBRPWBLJDX-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CN1CC[C@](O)(CNC(=O)C2(C)CCCC2)C1 ZINC000335738808 136351466 /nfs/dbraw/zinc/35/14/66/136351466.db2.gz ISWLFJUMIPJGFQ-ZDUSSCGKSA-N 0 3 240.347 0.750 20 0 BCADHN CC(C)OCC[C@@H](O)CN1CC(C(C)(C)O)C1 ZINC000349251718 136333262 /nfs/dbraw/zinc/33/32/62/136333262.db2.gz KMJJGEAEPJHTRQ-GFCCVEGCSA-N 0 3 245.363 0.865 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)Cn2cccn2)CCN1C ZINC000335705176 136335725 /nfs/dbraw/zinc/33/57/25/136335725.db2.gz JDKYNTOJYHEPQL-QWRGUYRKSA-N 0 3 236.319 0.482 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2ccn[nH]2)CCN1C ZINC000335706554 136336298 /nfs/dbraw/zinc/33/62/98/136336298.db2.gz KWPHVCUALQSSBC-RKDXNWHRSA-N 0 3 222.292 0.622 20 0 BCADHN CC(C)N(CC(N)=O)C[C@H]1CCOC1 ZINC000047703752 343446665 /nfs/dbraw/zinc/44/66/65/343446665.db2.gz CNCSYRMCCWAPAG-SECBINFHSA-N 0 3 200.282 0.219 20 0 BCADHN CC[C@H](N)C(=O)N(C)C[C@H]1CCCOC1 ZINC000082545365 343447221 /nfs/dbraw/zinc/44/72/21/343447221.db2.gz MFQLXFGLUDEOAE-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN Cc1ccc(C(=O)NCCNC(=O)[C@@H](C)N)cc1 ZINC000037902969 187261438 /nfs/dbraw/zinc/26/14/38/187261438.db2.gz NCMWJJKYMMGOLL-SNVBAGLBSA-N 0 3 249.314 0.188 20 0 BCADHN CN(CCNC(=O)COC(F)F)C1CC1 ZINC000350099035 136355890 /nfs/dbraw/zinc/35/58/90/136355890.db2.gz NGUCTOOCFBHCMP-UHFFFAOYSA-N 0 3 222.235 0.436 20 0 BCADHN CCONC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000166531392 136358016 /nfs/dbraw/zinc/35/80/16/136358016.db2.gz NRTAOFUMTUBPMS-ZJUUUORDSA-N 0 3 227.308 0.816 20 0 BCADHN CCOC1(C)CCN([C@H]2COC[C@H]2O)CC1 ZINC000394510698 259362165 /nfs/dbraw/zinc/36/21/65/259362165.db2.gz NVJNBNOUFQHRSQ-WDEREUQCSA-N 0 3 229.320 0.637 20 0 BCADHN OC[C@]1(F)CCCN(CC2(O)CCC2)C1 ZINC000335891025 136358874 /nfs/dbraw/zinc/35/88/74/136358874.db2.gz OCVOIRRUKSWGPY-JTQLQIEISA-N 0 3 217.284 0.698 20 0 BCADHN CC[C@@H](N)c1cn([C@H]2CON(CC)C2=O)nn1 ZINC000641094705 362222464 /nfs/dbraw/zinc/22/24/64/362222464.db2.gz BIFQQGLSNHYNJD-APPZFPTMSA-N 0 3 239.279 0.023 20 0 BCADHN COc1ccc(CNC2(CO)CC2)cn1 ZINC000166816638 136364114 /nfs/dbraw/zinc/36/41/14/136364114.db2.gz BWQQUFMWQQEGSQ-UHFFFAOYSA-N 0 3 208.261 0.705 20 0 BCADHN CCc1nc(Cn2cc([C@@H](C)NC)nn2)n[nH]1 ZINC000641158837 362244366 /nfs/dbraw/zinc/24/43/66/362244366.db2.gz XLTMLRYRFJNJKH-SSDOTTSWSA-N 0 3 235.295 0.287 20 0 BCADHN CCc1nnc(Cn2cc([C@@H](C)NC)nn2)[nH]1 ZINC000641158837 362244368 /nfs/dbraw/zinc/24/43/68/362244368.db2.gz XLTMLRYRFJNJKH-SSDOTTSWSA-N 0 3 235.295 0.287 20 0 BCADHN CC[C@](C)(N)c1cn(C[C@H](COC)OC)nn1 ZINC000641106389 362226385 /nfs/dbraw/zinc/22/63/85/362226385.db2.gz JNNJEFLAUJMMBE-KOLCDFICSA-N 0 3 242.323 0.523 20 0 BCADHN COC[C@H](Cn1cc([C@@H](N)C(C)C)nn1)OC ZINC000641108431 362226742 /nfs/dbraw/zinc/22/67/42/362226742.db2.gz OSHRJPRZRMVMGP-ONGXEEELSA-N 0 3 242.323 0.595 20 0 BCADHN CC[C@](C)(N)c1cn(C[C@@H](COC)OC)nn1 ZINC000641106391 362226902 /nfs/dbraw/zinc/22/69/02/362226902.db2.gz JNNJEFLAUJMMBE-ONGXEEELSA-N 0 3 242.323 0.523 20 0 BCADHN CC[C@H](N)c1cn(C[C@H](COC)OC)nn1 ZINC000641106453 362227208 /nfs/dbraw/zinc/22/72/08/362227208.db2.gz LTJQPXZPSTZVFM-BDAKNGLRSA-N 0 3 228.296 0.349 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@H]1C[C@H]1C ZINC000351063629 136366878 /nfs/dbraw/zinc/36/68/78/136366878.db2.gz NBBIKUIFVUFTDV-OPRDCNLKSA-N 0 3 213.325 0.892 20 0 BCADHN CCSCCN1CCc2nn[nH]c2C1 ZINC000351606138 136369823 /nfs/dbraw/zinc/36/98/23/136369823.db2.gz AQSDRQSOTWKOMC-UHFFFAOYSA-N 0 3 212.322 0.916 20 0 BCADHN CCSCCN1CCc2n[nH]nc2C1 ZINC000351606138 136369824 /nfs/dbraw/zinc/36/98/24/136369824.db2.gz AQSDRQSOTWKOMC-UHFFFAOYSA-N 0 3 212.322 0.916 20 0 BCADHN CC1CCN(CC(=O)N(C)CCCCO)CC1 ZINC000351785132 136370331 /nfs/dbraw/zinc/37/03/31/136370331.db2.gz BGYOYPVPYHYXRZ-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN CCC[C@H](N)C(=O)NCCc1cscn1 ZINC000082626727 343457267 /nfs/dbraw/zinc/45/72/67/343457267.db2.gz KDWHETLMUIXWTG-VIFPVBQESA-N 0 3 227.333 0.929 20 0 BCADHN Cc1csc(=O)n1CCN1C[C@@H](C)[C@@H](O)C1 ZINC000351806318 136370779 /nfs/dbraw/zinc/37/07/79/136370779.db2.gz DZPLMTIQGTVZHM-SCZZXKLOSA-N 0 3 242.344 0.531 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2cn(C)nc2C)nn1 ZINC000641141753 362235983 /nfs/dbraw/zinc/23/59/83/362235983.db2.gz PILHDNFMXADSGV-LBPRGKRZSA-N 0 3 248.334 0.952 20 0 BCADHN COCn1ccc(C(=O)NC[C@H](C)N(C)C)n1 ZINC000616488939 343474502 /nfs/dbraw/zinc/47/45/02/343474502.db2.gz FDEKMKCCIXCMJH-VIFPVBQESA-N 0 3 240.307 0.167 20 0 BCADHN C[C@@H](CNC(=O)c1cc(O)cc(=O)[nH]1)N(C)C ZINC000616489164 343475249 /nfs/dbraw/zinc/47/52/49/343475249.db2.gz PJPSNKJXNYSJAO-ZETCQYMHSA-N 0 3 239.275 0.173 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCOC[C@@H]1C)N(C)C ZINC000616489175 343475348 /nfs/dbraw/zinc/47/53/48/343475348.db2.gz QEXGJZOGQFTXDS-DCAQKATOSA-N 0 3 228.336 0.725 20 0 BCADHN CCCn1cc(C(=O)NC[C@H](C)N(C)C)nn1 ZINC000616489259 343475425 /nfs/dbraw/zinc/47/54/25/343475425.db2.gz SRROOTHAOCKXQF-VIFPVBQESA-N 0 3 239.323 0.368 20 0 BCADHN CCNC(=O)CN[C@@H](COC)C(C)C ZINC000083399666 343480612 /nfs/dbraw/zinc/48/06/12/343480612.db2.gz YJVHODNPSAPYAJ-VIFPVBQESA-N 0 3 202.298 0.383 20 0 BCADHN 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ZINC000603192579 349883090 /nfs/dbraw/zinc/88/30/90/349883090.db2.gz XIGNSCDLOGDKJF-LDYMZIIASA-N 0 3 240.307 0.986 20 0 BCADHN CN(CCO)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000496453920 529919785 /nfs/dbraw/zinc/91/97/85/529919785.db2.gz LNJQNFKBCOPLOB-UHFFFAOYSA-N 0 3 244.335 0.966 20 0 BCADHN C[C@@H]1CC[C@H](C)N1C(=O)NC[C@@H]1CNCCO1 ZINC000418770097 192067030 /nfs/dbraw/zinc/06/70/30/192067030.db2.gz QMFNHAIWZKPRDM-AXFHLTTASA-N 0 3 241.335 0.557 20 0 BCADHN CCC[C@H](C)N(C)C(=O)NC[C@@H]1CNCCO1 ZINC000418769029 192067052 /nfs/dbraw/zinc/06/70/52/192067052.db2.gz PFCSGPIIHSOJMV-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN CCC(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000683913926 488243743 /nfs/dbraw/zinc/24/37/43/488243743.db2.gz OYNAHWTXNUZTGE-LLVKDONJSA-N 0 3 214.309 0.312 20 0 BCADHN COC(=O)CC1(CN(C)CCNC(C)=O)CC1 ZINC000570512755 323061745 /nfs/dbraw/zinc/06/17/45/323061745.db2.gz PRAWQYHOKMWPGI-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN CC(C)CN(C)C(=O)NC[C@@H]1CNCCO1 ZINC000418769608 192067159 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/nfs/dbraw/zinc/08/86/51/344088651.db2.gz RSVFAQMFLRUOGJ-LBPRGKRZSA-N 0 3 228.336 0.653 20 0 BCADHN Cn1c(CN(C2CC2)C2CC2)cc(=O)n(C)c1=O ZINC000625837128 344089787 /nfs/dbraw/zinc/08/97/87/344089787.db2.gz LMMIBNMFRPYSAJ-UHFFFAOYSA-N 0 3 249.314 0.211 20 0 BCADHN CN(C)C(=O)CN[C@@]1(CO)CCCC(C)(C)C1 ZINC000625832694 344091511 /nfs/dbraw/zinc/09/15/11/344091511.db2.gz IJQJSWANTKKWRD-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H]1NC(=O)N(CCN(C2CC2)C2CC2)C1=O ZINC000625842115 344093183 /nfs/dbraw/zinc/09/31/83/344093183.db2.gz WOVZTJREDDLFEW-MRVPVSSYSA-N 0 3 237.303 0.554 20 0 BCADHN Cc1cnn(C)c1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634745306 344168798 /nfs/dbraw/zinc/16/87/98/344168798.db2.gz CNKRQNJPDVBUBY-PHIMTYICSA-N 0 3 221.304 0.807 20 0 BCADHN Cc1c(CN2C[C@@H]3COC[C@@H]3C2)cnn1C ZINC000634746066 344176142 /nfs/dbraw/zinc/17/61/42/344176142.db2.gz DXSYXBGPHLGGEW-TXEJJXNPSA-N 0 3 221.304 0.807 20 0 BCADHN CC[C@@H](N)C(=O)NCc1nc2ccccc2[nH]1 ZINC000130348136 344132653 /nfs/dbraw/zinc/13/26/53/344132653.db2.gz SHQDYCNIGKSVJQ-MRVPVSSYSA-N 0 3 232.287 0.916 20 0 BCADHN CNCC(=O)N1CCCC(F)(F)CC1 ZINC000634737588 344136092 /nfs/dbraw/zinc/13/60/92/344136092.db2.gz VBUVTDHPBCHPSA-UHFFFAOYSA-N 0 3 206.236 0.854 20 0 BCADHN CCS[C@@H]1CCC[C@@H]1NCC(N)=O ZINC000233984493 344140398 /nfs/dbraw/zinc/14/03/98/344140398.db2.gz OWGALBNWFHKNSW-JGVFFNPUSA-N 0 3 202.323 0.736 20 0 BCADHN C[C@@H]1Oc2ccccc2[C@@H]1NCCC(N)=O ZINC000566131219 344144436 /nfs/dbraw/zinc/14/44/36/344144436.db2.gz WLQCSOFCCQXBSP-QPUJVOFHSA-N 0 3 220.272 0.974 20 0 BCADHN O=C1CNC(=O)N1CCCN1CCC12CCC2 ZINC000081545827 344144937 /nfs/dbraw/zinc/14/49/37/344144937.db2.gz DLPGWXYPCNSLEJ-UHFFFAOYSA-N 0 3 237.303 0.557 20 0 BCADHN Cc1n[nH]cc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634746874 344177763 /nfs/dbraw/zinc/17/77/63/344177763.db2.gz OKGGVANVIXQNCQ-PHIMTYICSA-N 0 3 207.277 0.796 20 0 BCADHN CN(C[C@H]1CCOC1)[C@H]1CCCCN(C)C1=O ZINC000634739140 344155861 /nfs/dbraw/zinc/15/58/61/344155861.db2.gz KCFZKIXQJXZJOY-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN Cn1nncc1CNCCc1nccs1 ZINC000129738329 344214593 /nfs/dbraw/zinc/21/45/93/344214593.db2.gz LBDBEKYTIPBBOF-UHFFFAOYSA-N 0 3 223.305 0.604 20 0 BCADHN COC[C@@H](NCc1cnnn1C)C(C)C ZINC000129781872 344215520 /nfs/dbraw/zinc/21/55/20/344215520.db2.gz SGIWRYZMNHJZBF-SNVBAGLBSA-N 0 3 212.297 0.576 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H]1CCN(C)C1=O ZINC000129959100 344217301 /nfs/dbraw/zinc/21/73/01/344217301.db2.gz NPFZINGCCHRFHW-DJLDLDEBSA-N 0 3 200.282 0.230 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)C1CCOCC1 ZINC000130030258 344217908 /nfs/dbraw/zinc/21/79/08/344217908.db2.gz GBZZIBOHTVKSQE-WCBMZHEXSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@H](CN(C)C)Nc1cn[nH]c(=O)c1Cl ZINC000130632139 344222919 /nfs/dbraw/zinc/22/29/19/344222919.db2.gz MZOJZFUUAPRGGB-ZCFIWIBFSA-N 0 3 230.699 0.785 20 0 BCADHN CCN(C)C(=O)CNCC1(O)CCC(C)CC1 ZINC000087061751 344227713 /nfs/dbraw/zinc/22/77/13/344227713.db2.gz ADEIKXMCCBLPBX-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C[C@H]1COCCO1 ZINC000618232368 344228384 /nfs/dbraw/zinc/22/83/84/344228384.db2.gz CFITUSNEHDLSLA-NSHDSACASA-N 0 3 244.335 0.200 20 0 BCADHN C[C@H](Cn1cncn1)NCc1cccnc1 ZINC000067504922 344230050 /nfs/dbraw/zinc/23/00/50/344230050.db2.gz YUZQTORUYXJHTL-SNVBAGLBSA-N 0 3 217.276 0.851 20 0 BCADHN CCCSCC(=O)N[C@@H](CO)CN(C)C ZINC000588866127 344196511 /nfs/dbraw/zinc/19/65/11/344196511.db2.gz BNEYVOIIEDSCLK-SECBINFHSA-N 0 3 234.365 0.168 20 0 BCADHN COCCNC(=O)CN(C)CC(C)(C)C ZINC000588902104 344198852 /nfs/dbraw/zinc/19/88/52/344198852.db2.gz DRRJVLCIPGSRCI-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H](C)Cn1cccn1 ZINC000236753031 187289669 /nfs/dbraw/zinc/28/96/69/187289669.db2.gz XKGSLROUYKIOBV-MNOVXSKESA-N 0 3 238.335 0.619 20 0 BCADHN COC[C@H](O)CN1CCO[C@@H](C(F)F)CC1 ZINC000634752258 344204218 /nfs/dbraw/zinc/20/42/18/344204218.db2.gz IMWPEGAYFXIZHY-RKDXNWHRSA-N 0 3 239.262 0.350 20 0 BCADHN COC(=O)C(C)(C)CCN1C[C@H](O)C[C@H](O)C1 ZINC000619424591 344204317 /nfs/dbraw/zinc/20/43/17/344204317.db2.gz GUNPBFSKHUMDSC-AOOOYVTPSA-N 0 3 245.319 0.003 20 0 BCADHN CC(C)(N)C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000634752674 344205018 /nfs/dbraw/zinc/20/50/18/344205018.db2.gz QKUCUHPQKNLNKG-SSDOTTSWSA-N 0 3 236.262 0.606 20 0 BCADHN O=C(CNC1CC1)N1CCO[C@H](C(F)F)CC1 ZINC000634752781 344205281 /nfs/dbraw/zinc/20/52/81/344205281.db2.gz SILYWWPOICNXEI-VIFPVBQESA-N 0 3 248.273 0.621 20 0 BCADHN C[C@@H](CNc1nccnc1C(N)=O)N(C)C1CC1 ZINC000641340341 362369752 /nfs/dbraw/zinc/36/97/52/362369752.db2.gz XDPUKEYQNQYHBU-QMMMGPOBSA-N 0 3 249.318 0.470 20 0 BCADHN CO[C@@]1(C)C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC000620554530 344253816 /nfs/dbraw/zinc/25/38/16/344253816.db2.gz VJBBQJRYHJFDRC-SCVCMEIPSA-N 0 3 228.336 0.866 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cnccn2)CCN1C ZINC000408222528 344260815 /nfs/dbraw/zinc/26/08/15/344260815.db2.gz AYXPCAOTSVXFPY-NXEZZACHSA-N 0 3 234.303 0.689 20 0 BCADHN CCC[C@](C)(O)CN[C@H](C)CS(C)(=O)=O ZINC000132169138 344281063 /nfs/dbraw/zinc/28/10/63/344281063.db2.gz ZENPOOYPCVCUTH-ZJUUUORDSA-N 0 3 237.365 0.560 20 0 BCADHN CCC[C@](C)(O)CN[C@@H](C)CS(C)(=O)=O ZINC000132168728 344281827 /nfs/dbraw/zinc/28/18/27/344281827.db2.gz ZENPOOYPCVCUTH-UWVGGRQHSA-N 0 3 237.365 0.560 20 0 BCADHN O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1cc(=O)[n-]cn1 ZINC000634769954 344283939 /nfs/dbraw/zinc/28/39/39/344283939.db2.gz UWCGQFPHNWWRHZ-PELKAZGASA-N 0 3 248.286 0.054 20 0 BCADHN CN1CCC[C@@H](CNc2nccnc2C(N)=O)C1 ZINC000641366395 362378779 /nfs/dbraw/zinc/37/87/79/362378779.db2.gz ZXEISAWTEYDSQE-VIFPVBQESA-N 0 3 249.318 0.329 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H](C)CCO ZINC000132248344 344289672 /nfs/dbraw/zinc/28/96/72/344289672.db2.gz UJEDXLHTDRGMBY-BDAKNGLRSA-N 0 3 223.338 0.170 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634773822 344292807 /nfs/dbraw/zinc/29/28/07/344292807.db2.gz RRURUNDTSOVMKM-YFKTTZPYSA-N 0 3 238.331 0.479 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774596 344294193 /nfs/dbraw/zinc/29/41/93/344294193.db2.gz YGHYZFJTHAGRQB-KXUCPTDWSA-N 0 3 224.304 0.089 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774595 344294232 /nfs/dbraw/zinc/29/42/32/344294232.db2.gz YGHYZFJTHAGRQB-AEJSXWLSSA-N 0 3 224.304 0.089 20 0 BCADHN Cn1cncc1CN1CCN(C)C(C)(C)C1 ZINC000569550071 344310658 /nfs/dbraw/zinc/31/06/58/344310658.db2.gz PZRRPZSQINRQMO-UHFFFAOYSA-N 0 3 222.336 0.946 20 0 BCADHN Cc1cc(CN2C[C@@H]3COC[C@@H]3C2)ncn1 ZINC000634779121 344310821 /nfs/dbraw/zinc/31/08/21/344310821.db2.gz DHZCDYUUVOGAMY-PHIMTYICSA-N 0 3 219.288 0.863 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)N1CC=CC1 ZINC000636791511 349908965 /nfs/dbraw/zinc/90/89/65/349908965.db2.gz WZZJCPSZLXKJHR-JTQLQIEISA-N 0 3 221.304 0.805 20 0 BCADHN C[C@H](NCC1(O)CCC1)c1cnn(C)c1 ZINC000133424509 344318454 /nfs/dbraw/zinc/31/84/54/344318454.db2.gz FSFPBCHVOOFLAX-VIFPVBQESA-N 0 3 209.293 0.986 20 0 BCADHN O=C(CN1C[C@@H]2COC[C@@H]2C1)NCC1CCC1 ZINC000634781484 344322893 /nfs/dbraw/zinc/32/28/93/344322893.db2.gz BYMNGFRUAZFRIH-TXEJJXNPSA-N 0 3 238.331 0.481 20 0 BCADHN CN(C[C@H]1CN(C)C(=O)O1)[C@H]1CCCOC1 ZINC000495598600 529972504 /nfs/dbraw/zinc/97/25/04/529972504.db2.gz ZZTSLNADYFWHQD-UWVGGRQHSA-N 0 3 228.292 0.548 20 0 BCADHN CCC(C)(C)NC(=O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634783442 344327643 /nfs/dbraw/zinc/32/76/43/344327643.db2.gz ANPDNJOZYRGAEH-PHIMTYICSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634783500 344327700 /nfs/dbraw/zinc/32/77/00/344327700.db2.gz DCFXRQIWCAUOCE-SDDRHHMPSA-N 0 3 240.347 0.725 20 0 BCADHN O=S1(=O)CCC(NCCc2ccco2)CC1 ZINC000035661401 344330559 /nfs/dbraw/zinc/33/05/59/344330559.db2.gz BGJODSSETBROHS-UHFFFAOYSA-N 0 3 243.328 0.989 20 0 BCADHN CC(C)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000107300761 347047202 /nfs/dbraw/zinc/04/72/02/347047202.db2.gz UBBATVHVFMWDRY-SNVBAGLBSA-N 0 3 249.380 0.148 20 0 BCADHN CSCC[C@H](O)C(=O)NC[C@@H]1CCCN1C ZINC000600691746 344359007 /nfs/dbraw/zinc/35/90/07/344359007.db2.gz BICRMJNVVLBPTM-UWVGGRQHSA-N 0 3 246.376 0.311 20 0 BCADHN CC1(C)CCN(CCCS(N)(=O)=O)CC1 ZINC000132798634 344308390 /nfs/dbraw/zinc/30/83/90/344308390.db2.gz DLQPUXSROAMYQJ-UHFFFAOYSA-N 0 3 234.365 0.787 20 0 BCADHN CCS(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000247530259 344308641 /nfs/dbraw/zinc/30/86/41/344308641.db2.gz OXRKVBCXGOTGGD-GHMZBOCLSA-N 0 3 246.376 0.752 20 0 BCADHN C[C@H](CNC(=O)[C@H]1COCCO1)N1CCCC1 ZINC000042509929 344436837 /nfs/dbraw/zinc/43/68/37/344436837.db2.gz RGCVHBINYGZMFL-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN CCCc1nsc(NC(=O)[C@@H](C)N)n1 ZINC000306776702 344436963 /nfs/dbraw/zinc/43/69/63/344436963.db2.gz ZOZQVMIDKZWPBG-RXMQYKEDSA-N 0 3 214.294 0.776 20 0 BCADHN CN(C(=O)CCOC1CNC1)C1CCOCC1 ZINC000570832989 323072061 /nfs/dbraw/zinc/07/20/61/323072061.db2.gz CCBYWXNCERRDSF-UHFFFAOYSA-N 0 3 242.319 0.002 20 0 BCADHN COC(=O)CCCNC(=O)[C@@H](N)C(C)C ZINC000040832123 344396982 /nfs/dbraw/zinc/39/69/82/344396982.db2.gz LUYKOAQYLZJTTL-VIFPVBQESA-N 0 3 216.281 0.039 20 0 BCADHN CC(C)(C)[C@H](NC[C@@H]1CCCO1)C(N)=O ZINC000041051712 344416377 /nfs/dbraw/zinc/41/63/77/344416377.db2.gz XZPGTAIGHJXQTG-DTWKUNHWSA-N 0 3 214.309 0.655 20 0 BCADHN COC[C@H](C)CNC(=O)[C@H](N)C(C)C ZINC000041679368 344439742 /nfs/dbraw/zinc/43/97/42/344439742.db2.gz LEKQBQGGAQKLRL-RKDXNWHRSA-N 0 3 202.298 0.368 20 0 BCADHN COC[C@H](C)CNC(=O)[C@@H](N)C(C)C ZINC000041679367 344439865 /nfs/dbraw/zinc/43/98/65/344439865.db2.gz LEKQBQGGAQKLRL-BDAKNGLRSA-N 0 3 202.298 0.368 20 0 BCADHN CC(C)(O)CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000408284523 344444858 /nfs/dbraw/zinc/44/48/58/344444858.db2.gz AGHGUIPDAYCZMY-VIFPVBQESA-N 0 3 226.320 0.500 20 0 BCADHN CCN1CCC(NC(=O)c2nccc(C)n2)CC1 ZINC000408283395 344445619 /nfs/dbraw/zinc/44/56/19/344445619.db2.gz JTKGYRMOWDVDRJ-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN COC(=O)CCCN1CCC[C@H]1CO ZINC000042433079 344453269 /nfs/dbraw/zinc/45/32/69/344453269.db2.gz VGAONMMZQJOVJH-VIFPVBQESA-N 0 3 201.266 0.396 20 0 BCADHN CN(CCOCCO)C[C@@H]1CCCCO1 ZINC000042465214 344456051 /nfs/dbraw/zinc/45/60/51/344456051.db2.gz CPBWMHLPVYCOQS-NSHDSACASA-N 0 3 217.309 0.496 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2COCCO2)CCC1 ZINC000408300812 344471682 /nfs/dbraw/zinc/47/16/82/344471682.db2.gz JXFLGKQOLKIIOZ-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000037025046 344487133 /nfs/dbraw/zinc/48/71/33/344487133.db2.gz NUCHBEROSHSVFH-QMMMGPOBSA-N 0 3 248.286 0.502 20 0 BCADHN CC1(C)[C@@H](O)CCN1CC(=O)N1CCCCC1 ZINC000310372322 344489744 /nfs/dbraw/zinc/48/97/44/344489744.db2.gz YCZGCSCKQJFBIT-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H]1C[C@@H](Nc2cc(C(N)=O)ncn2)CCN1C ZINC000641395528 362394859 /nfs/dbraw/zinc/39/48/59/362394859.db2.gz DXWFBYFREQCXDU-BDAKNGLRSA-N 0 3 249.318 0.470 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H]2CCCCN2)CCO1 ZINC000037117243 344495591 /nfs/dbraw/zinc/49/55/91/344495591.db2.gz ZGTHPRZDIDKKAV-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN Cc1nc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)n[nH]1 ZINC000381535777 344518710 /nfs/dbraw/zinc/51/87/10/344518710.db2.gz GPPOAFYSWSIZCT-GUBZILKMSA-N 0 3 222.292 0.316 20 0 BCADHN CO[C@@H](C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000381593376 344525256 /nfs/dbraw/zinc/52/52/56/344525256.db2.gz KNDDGOZGTOQKKQ-VHSXEESVSA-N 0 3 214.309 0.478 20 0 BCADHN COC[C@@](C)(O)CNCc1cccnc1C ZINC000381646088 344529548 /nfs/dbraw/zinc/52/95/48/344529548.db2.gz BRQNBECRHGNUHV-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccccc1OC ZINC000048775771 344574517 /nfs/dbraw/zinc/57/45/17/344574517.db2.gz MDVTVVXGGGFRIU-VIFPVBQESA-N 0 3 222.288 0.919 20 0 BCADHN C[C@H](C(=O)N[C@@H]1CC[C@H]1O)N1[C@H](C)CC[C@H]1C ZINC000425051744 192072419 /nfs/dbraw/zinc/07/24/19/192072419.db2.gz RMTBJEDKCRMONF-LZQZFOIKSA-N 0 3 240.347 0.887 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)N[C@@H](CN)C(F)(F)F ZINC000625899033 344551822 /nfs/dbraw/zinc/55/18/22/344551822.db2.gz HZNFPRPKBDHHLE-PBXRRBTRSA-N 0 3 225.214 0.584 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CC[C@H](CO)[C@@H]1C ZINC000358490043 344555219 /nfs/dbraw/zinc/55/52/19/344555219.db2.gz CKCKVGKMAWALNI-OUAUKWLOSA-N 0 3 243.351 0.349 20 0 BCADHN CC[C@H]1CN(C(=O)N[C@@H](C)CN(C)C)CCO1 ZINC000358490142 344555517 /nfs/dbraw/zinc/55/55/17/344555517.db2.gz CYSNEKUVDDJJLA-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN CCC(=O)NCCN(C)CCCOC ZINC000152432981 344561299 /nfs/dbraw/zinc/56/12/99/344561299.db2.gz TYDDQWALDWWLBR-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN O=C1NCC[C@H]1CCN[C@H](CO)c1ccccc1 ZINC000395778925 344561840 /nfs/dbraw/zinc/56/18/40/344561840.db2.gz BWUKVLBEJWNLFG-CHWSQXEVSA-N 0 3 248.326 0.836 20 0 BCADHN C[C@@H](O)CN1C[C@H](C)N(C[C@H](C)O)C[C@H]1C ZINC000023477050 344563944 /nfs/dbraw/zinc/56/39/44/344563944.db2.gz DTQIXUAQWTUJSV-BKUVIOGVSA-N 0 3 230.352 0.143 20 0 BCADHN COC(=O)C1(NC(=O)[C@H](C)N)CCCCCC1 ZINC000152449302 344565896 /nfs/dbraw/zinc/56/58/96/344565896.db2.gz AMRMNZJMZDEGAS-VIFPVBQESA-N 0 3 242.319 0.716 20 0 BCADHN COC(=O)CN1CCN(CC(C)C)CC1 ZINC000048695256 344590851 /nfs/dbraw/zinc/59/08/51/344590851.db2.gz UEGVLKRLAILMSH-UHFFFAOYSA-N 0 3 214.309 0.433 20 0 BCADHN COC(=O)CCCN(C)C(=O)[C@@H](N)C(C)C ZINC000037813176 344591733 /nfs/dbraw/zinc/59/17/33/344591733.db2.gz VAKVNVGAGXALNK-JTQLQIEISA-N 0 3 230.308 0.381 20 0 BCADHN C[C@@H](N)C(=O)N1CCc2ccc(O)cc2C1 ZINC000037823131 344593566 /nfs/dbraw/zinc/59/35/66/344593566.db2.gz SKRLHEYOXHKESM-MRVPVSSYSA-N 0 3 220.272 0.624 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN(C2CC2)CC1 ZINC000037827007 344593616 /nfs/dbraw/zinc/59/36/16/344593616.db2.gz ZJXJNZIIODZNPF-ZYHUDNBSSA-N 0 3 239.363 0.666 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H]1O ZINC000425059947 192073116 /nfs/dbraw/zinc/07/31/16/192073116.db2.gz MNKHKZHOLFFDQG-GMTAPVOTSA-N 0 3 226.320 0.500 20 0 BCADHN C[C@@H](CO)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000152480253 344577107 /nfs/dbraw/zinc/57/71/07/344577107.db2.gz GMZKQFWAHZVKDE-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN CN(C(=O)[C@H]1CCCO1)C1CCN(C)CC1 ZINC000046467701 344578948 /nfs/dbraw/zinc/57/89/48/344578948.db2.gz XIRJUYMGYVUQMX-LLVKDONJSA-N 0 3 226.320 0.718 20 0 BCADHN Cc1nccc(CNC(=O)[C@@]2(F)CCNC2)n1 ZINC000152486084 344579631 /nfs/dbraw/zinc/57/96/31/344579631.db2.gz YIEKTKGFLNFCOI-LLVKDONJSA-N 0 3 238.266 0.103 20 0 BCADHN CCOCC(C)(C)NC[C@@](C)(O)C(=O)OC ZINC000381978453 347057487 /nfs/dbraw/zinc/05/74/87/347057487.db2.gz DQOVAACEIDFVLL-LLVKDONJSA-N 0 3 233.308 0.315 20 0 BCADHN CC[C@@H](O)CC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425062066 192072910 /nfs/dbraw/zinc/07/29/10/192072910.db2.gz CILAKPKTVIZEBN-QJPTWQEYSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(=O)n(C)c1 ZINC000037770297 344585530 /nfs/dbraw/zinc/58/55/30/344585530.db2.gz IFNNVAPVEHFNTG-LDYMZIIASA-N 0 3 237.303 0.697 20 0 BCADHN CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425060734 192072956 /nfs/dbraw/zinc/07/29/56/192072956.db2.gz WTOYFYKFUXOTNC-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C)C[C@H]1CCCN1c1cc(C(N)=O)ncn1 ZINC000641430803 362412606 /nfs/dbraw/zinc/41/26/06/362412606.db2.gz DEJNDWWOMHQJSL-SECBINFHSA-N 0 3 249.318 0.106 20 0 BCADHN C[C@H](O)[C@H](C)NCc1ccc(C(N)=O)cc1 ZINC000336778432 537848981 /nfs/dbraw/zinc/84/89/81/537848981.db2.gz LIOXONMVKGIHLY-IUCAKERBSA-N 0 3 222.288 0.644 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)CC(=O)NC(C)C ZINC000037801320 344589589 /nfs/dbraw/zinc/58/95/89/344589589.db2.gz RSPJHAUHAORPTG-KOLCDFICSA-N 0 3 243.351 0.343 20 0 BCADHN C[C@H](CF)NC(=O)NC[C@H]1CCCN(C)C1 ZINC000672846661 488267659 /nfs/dbraw/zinc/26/76/59/488267659.db2.gz LRMUKFYMRRJWKR-NXEZZACHSA-N 0 3 231.315 0.985 20 0 BCADHN CCO[C@@H](CCNC(=O)CN)C(C)C ZINC000121688545 537851252 /nfs/dbraw/zinc/85/12/52/537851252.db2.gz NCGYPKBFOWTJFV-VIFPVBQESA-N 0 3 202.298 0.513 20 0 BCADHN Cc1nnsc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000083118426 362487581 /nfs/dbraw/zinc/48/75/81/362487581.db2.gz HUTPCTJVKNWXJO-RQJHMYQMSA-N 0 3 240.332 0.669 20 0 BCADHN C[C@@H](CO)CN1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000625994648 344660272 /nfs/dbraw/zinc/66/02/72/344660272.db2.gz CDIMBALTLZTZEM-KOLCDFICSA-N 0 3 237.303 0.948 20 0 BCADHN CCN(C)C(=O)CN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626013084 344668264 /nfs/dbraw/zinc/66/82/64/344668264.db2.gz SFUSXQNUXLABIN-WCQYABFASA-N 0 3 240.347 0.559 20 0 BCADHN O=C(CC1CCN(CCO)CC1)N1CCCC1 ZINC000081665753 344623220 /nfs/dbraw/zinc/62/32/20/344623220.db2.gz RBNGIRMMYCVQST-UHFFFAOYSA-N 0 3 240.347 0.703 20 0 BCADHN CCOC1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000050071890 344634759 /nfs/dbraw/zinc/63/47/59/344634759.db2.gz FNOUGGSXBMNSNU-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN CCOC1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000050071889 344634774 /nfs/dbraw/zinc/63/47/74/344634774.db2.gz FNOUGGSXBMNSNU-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN COC1CC(C(=O)N2CCNC(C)(C)C2)C1 ZINC000625979616 344645000 /nfs/dbraw/zinc/64/50/00/344645000.db2.gz FZEVQTRDYVOPPK-UHFFFAOYSA-N 0 3 226.320 0.622 20 0 BCADHN CCOC(=O)CCN(C)CCCC(=O)OC ZINC000050067703 344719503 /nfs/dbraw/zinc/71/95/03/344719503.db2.gz SZSOWTJLECNSPT-UHFFFAOYSA-N 0 3 231.292 0.825 20 0 BCADHN CC(C)N(C)C(=O)CN1CCC[C@@H]1CO ZINC000050114157 344721075 /nfs/dbraw/zinc/72/10/75/344721075.db2.gz AKFKVCGQKTUTMR-SNVBAGLBSA-N 0 3 214.309 0.310 20 0 BCADHN CC1(C)CC(CN2CCO[C@H](CC(N)=O)C2)C1 ZINC000626075395 344721320 /nfs/dbraw/zinc/72/13/20/344721320.db2.gz HUDXHXDEZJOPPI-LLVKDONJSA-N 0 3 240.347 0.999 20 0 BCADHN CCC(CC)CN1CCO[C@H](CC(N)=O)C1 ZINC000626075669 344721738 /nfs/dbraw/zinc/72/17/38/344721738.db2.gz PMDVXQVAFLPSPC-LLVKDONJSA-N 0 3 228.336 0.999 20 0 BCADHN CC[C@@H](C)CN1CCO[C@@H](CC(N)=O)C1 ZINC000626077691 344722607 /nfs/dbraw/zinc/72/26/07/344722607.db2.gz PBBWSZDQZJOYHZ-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN CN(C[C@H](O)CNc1cnn(C)c1)C1CC1 ZINC000309454502 347068359 /nfs/dbraw/zinc/06/83/59/347068359.db2.gz QOUGXMDJBAPQKE-LLVKDONJSA-N 0 3 224.308 0.287 20 0 BCADHN CC(C)CCN1CCO[C@@H](CC(N)=O)C1 ZINC000626080855 344727259 /nfs/dbraw/zinc/72/72/59/344727259.db2.gz RCDSQOZKQYUADT-JTQLQIEISA-N 0 3 214.309 0.609 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)C[C@H]1C=CCC1 ZINC000153030019 344735629 /nfs/dbraw/zinc/73/56/29/344735629.db2.gz KQTQDBNLJRWQDW-WCQYABFASA-N 0 3 240.347 0.772 20 0 BCADHN CCCCCN1CCC(NS(N)(=O)=O)CC1 ZINC000626034074 344684747 /nfs/dbraw/zinc/68/47/47/344684747.db2.gz NDJXOEAXCRBOAT-UHFFFAOYSA-N 0 3 249.380 0.434 20 0 BCADHN CC(C)[C@H](C(=O)N1CCC[C@](C)(O)C1)N(C)C ZINC000152737131 344685339 /nfs/dbraw/zinc/68/53/39/344685339.db2.gz NYQYRXPCJNBAGD-YPMHNXCESA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCC[C@@](C)(O)C1)N(C)C ZINC000152740031 344685344 /nfs/dbraw/zinc/68/53/44/344685344.db2.gz NYQYRXPCJNBAGD-WCQYABFASA-N 0 3 242.363 0.946 20 0 BCADHN CN(CCc1cncs1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039364 344690336 /nfs/dbraw/zinc/69/03/36/344690336.db2.gz AUFBAWBKXLLUSN-DTORHVGOSA-N 0 3 239.344 0.881 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N(C)C[C@H]1C[C@@H](O)C1 ZINC000626043216 344694348 /nfs/dbraw/zinc/69/43/48/344694348.db2.gz JENUCNTVGOEIAZ-WHOHXGKFSA-N 0 3 242.363 0.992 20 0 BCADHN Cc1ncc(CN(C)C[C@H]2C[C@@H](O)C2)cn1 ZINC000626045828 344695684 /nfs/dbraw/zinc/69/56/84/344695684.db2.gz CXZMKWJSZNGIEU-KLPPZKSPSA-N 0 3 221.304 0.988 20 0 BCADHN CCNC(=O)CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000152829902 344697336 /nfs/dbraw/zinc/69/73/36/344697336.db2.gz BITDVWPXTCPFKD-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)C[C@H]1C[C@@H](O)C1 ZINC000626046791 344697800 /nfs/dbraw/zinc/69/78/00/344697800.db2.gz RLALRCCCJDKOTE-OUAUKWLOSA-N 0 3 215.293 0.029 20 0 BCADHN COC(=O)CCN1CCN(CC(C)C)CC1 ZINC000049932611 344702857 /nfs/dbraw/zinc/70/28/57/344702857.db2.gz KLBIWADWWYZGHW-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN CC(C)N(C)C(=O)CN(C)CCCCCO ZINC000227113200 534964894 /nfs/dbraw/zinc/96/48/94/534964894.db2.gz BOPPNRJAWYNKRY-UHFFFAOYSA-N 0 3 230.352 0.948 20 0 BCADHN COCC1(NC(=O)[C@@H](N)CC(F)F)CC1 ZINC000309459283 347067609 /nfs/dbraw/zinc/06/76/09/347067609.db2.gz OJVGTAUQFSYUQG-LURJTMIESA-N 0 3 222.235 0.264 20 0 BCADHN CCN(CCN1CCCCC1)CC(=O)OC ZINC000050066243 344718716 /nfs/dbraw/zinc/71/87/16/344718716.db2.gz BDPLFNOAJYBNGS-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN CSCC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000075578232 344779699 /nfs/dbraw/zinc/77/96/99/344779699.db2.gz QVZIXVKLWJGOLQ-MRVPVSSYSA-N 0 3 216.350 0.948 20 0 BCADHN CC[C@@H]1C[C@H](C)CN1CCNS(C)(=O)=O ZINC000075021962 344761900 /nfs/dbraw/zinc/76/19/00/344761900.db2.gz REIJKAHAUAMFQO-VHSXEESVSA-N 0 3 234.365 0.656 20 0 BCADHN CC[C@H]1C[C@H](C)CN1CC(=O)NC(=O)NC ZINC000075023061 344763028 /nfs/dbraw/zinc/76/30/28/344763028.db2.gz FKFNCKMKULBPKH-IUCAKERBSA-N 0 3 227.308 0.562 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCSC1 ZINC000075179764 344767931 /nfs/dbraw/zinc/76/79/31/344767931.db2.gz MVEOLCKRKBVKTN-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN CC(C)OC(=O)CCN(CCO)C1CC1 ZINC000075626610 344781104 /nfs/dbraw/zinc/78/11/04/344781104.db2.gz WIUCXKBDOPPZJP-UHFFFAOYSA-N 0 3 215.293 0.785 20 0 BCADHN CN([C@@H]1CCC[C@H]1O)[C@H]1CCCNC1=O ZINC000511602533 530033334 /nfs/dbraw/zinc/03/33/34/530033334.db2.gz BPXQRGXPIRKATE-KXUCPTDWSA-N 0 3 212.293 0.110 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)Cc1ccco1 ZINC000337555816 537855837 /nfs/dbraw/zinc/85/58/37/537855837.db2.gz FVCHFJVIGZZICY-LBPRGKRZSA-N 0 3 240.303 0.251 20 0 BCADHN CN1CC=C(CNC(=O)/C=C/c2ncc[nH]2)CC1 ZINC000493181996 530047104 /nfs/dbraw/zinc/04/71/04/530047104.db2.gz CYEHECHAOVJEHP-NSCUHMNNSA-N 0 3 246.314 0.801 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H]1C[C@H]1C ZINC000248621103 537856459 /nfs/dbraw/zinc/85/64/59/537856459.db2.gz AJCBJBOVBYKQLZ-NXEZZACHSA-N 0 3 214.309 0.073 20 0 BCADHN CN1CCCN(C(=O)C=Cc2c[nH]cn2)CC1 ZINC000493464179 530053206 /nfs/dbraw/zinc/05/32/06/530053206.db2.gz WEIOSMJVEMRLLP-ARJAWSKDSA-N 0 3 234.303 0.587 20 0 BCADHN CCCNS(=O)(=O)N1CCN2CCC[C@H]2C1 ZINC000408231807 344754283 /nfs/dbraw/zinc/75/42/83/344754283.db2.gz JYWFFIYEDGVFJG-JTQLQIEISA-N 0 3 247.364 0.011 20 0 BCADHN CN1CCC[C@H]1CNC(=O)CC1(O)CCCC1 ZINC000174832810 530062949 /nfs/dbraw/zinc/06/29/49/530062949.db2.gz 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223.305 0.915 20 0 BCADHN CCN1CCC(N(C)C(=O)c2c[nH]cn2)CC1 ZINC000076588825 344804438 /nfs/dbraw/zinc/80/44/38/344804438.db2.gz WEBMHIKEYPAGTM-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN COc1ccc(CNC[C@H](O)CSC)cn1 ZINC000562984702 323078065 /nfs/dbraw/zinc/07/80/65/323078065.db2.gz HWBUISONVZORRO-JTQLQIEISA-N 0 3 242.344 0.904 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000077152223 344809836 /nfs/dbraw/zinc/80/98/36/344809836.db2.gz MQWZTYBXQPUZDN-XPMWWOIKSA-N 0 3 240.347 0.772 20 0 BCADHN CCC1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000077212174 344810748 /nfs/dbraw/zinc/81/07/48/344810748.db2.gz GKTCSKMLJLCCLA-UHFFFAOYSA-N 0 3 239.319 0.660 20 0 BCADHN CN1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC000077309758 344815920 /nfs/dbraw/zinc/81/59/20/344815920.db2.gz PBCICXRWPRTVGN-UHFFFAOYSA-N 0 3 208.265 0.234 20 0 BCADHN CSC[C@H](O)CN1CCN(C2CC2)CC1 ZINC000187766728 344817308 /nfs/dbraw/zinc/81/73/08/344817308.db2.gz AHXMQRJBOPZOON-LLVKDONJSA-N 0 3 230.377 0.490 20 0 BCADHN CSC[C@@H](O)CN1CCN(C2CC2)CC1 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COCCCCN1C[C@@H](CO)OC(C)(C)C1 ZINC000158740135 345372194 /nfs/dbraw/zinc/37/21/94/345372194.db2.gz QZGOHGZIRKGAPV-NSHDSACASA-N 0 3 231.336 0.885 20 0 BCADHN CN(C)CCOCCNC(=O)N1CC(C)(F)C1 ZINC000684284002 488285790 /nfs/dbraw/zinc/28/57/90/488285790.db2.gz YRUCQXHBUZANGL-UHFFFAOYSA-N 0 3 247.314 0.318 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC000635508701 345404825 /nfs/dbraw/zinc/40/48/25/345404825.db2.gz YEPQFGYHSYHYCT-SNVBAGLBSA-N 0 3 236.319 0.932 20 0 BCADHN C[C@H](C(=O)N1CCCC[C@@H]1CN(C)C)N(C)C ZINC000635512450 345409317 /nfs/dbraw/zinc/40/93/17/345409317.db2.gz SEMSIYMXLOLINX-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCOC2)CCN1C ZINC000159339170 345426180 /nfs/dbraw/zinc/42/61/80/345426180.db2.gz LKSKLBPFVJWXJZ-OUAUKWLOSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1[C@@H](C)C(=O)N(C)C ZINC000159370090 345428634 /nfs/dbraw/zinc/42/86/34/345428634.db2.gz JRARKJVLBHSHBN-GARJFASQSA-N 0 3 228.336 0.698 20 0 BCADHN COC(=O)[C@H](C)NC(=O)[C@@]1(C)CCCCN1 ZINC000159568769 345443973 /nfs/dbraw/zinc/44/39/73/345443973.db2.gz HQEATMIUQPABOM-GZMMTYOYSA-N 0 3 228.292 0.196 20 0 BCADHN COCCN1CCS[C@H]2COCC[C@@H]21 ZINC000135531152 345444287 /nfs/dbraw/zinc/44/42/87/345444287.db2.gz ZKGGEIRDUWVQFE-UWVGGRQHSA-N 0 3 217.334 0.839 20 0 BCADHN CN(CCOCCO)Cc1cccc(O)c1 ZINC000080922963 345451325 /nfs/dbraw/zinc/45/13/25/345451325.db2.gz QSNLDIGMNKPLMN-UHFFFAOYSA-N 0 3 225.288 0.833 20 0 BCADHN C(CSCCc1nnn[n-]1)C[NH+]1CCCC1 ZINC000603338509 349929504 /nfs/dbraw/zinc/92/95/04/349929504.db2.gz LHPXPPCZROLBHF-UHFFFAOYSA-N 0 3 241.364 0.961 20 0 BCADHN C(CSCCc1nn[n-]n1)C[NH+]1CCCC1 ZINC000603338509 349929506 /nfs/dbraw/zinc/92/95/06/349929506.db2.gz LHPXPPCZROLBHF-UHFFFAOYSA-N 0 3 241.364 0.961 20 0 BCADHN CN(CC1CN(C)C1)c1cc(CO)ccn1 ZINC000641658629 362583510 /nfs/dbraw/zinc/58/35/10/362583510.db2.gz HEVFSFAJPYIQJJ-UHFFFAOYSA-N 0 3 221.304 0.572 20 0 BCADHN Cc1ncc(NC(=O)[C@H]2CCCCN2)cn1 ZINC000082248032 345498538 /nfs/dbraw/zinc/49/85/38/345498538.db2.gz VOLJFSNLLGRWAH-SNVBAGLBSA-N 0 3 220.276 0.866 20 0 BCADHN CCCN1CC[C@@H](Nc2cc(C(N)=O)ncn2)C1 ZINC000641666254 362589028 /nfs/dbraw/zinc/58/90/28/362589028.db2.gz WLGRIWPMWZQFQP-SECBINFHSA-N 0 3 249.318 0.472 20 0 BCADHN CC(C)N(C)C[C@@H](C)NS(C)(=O)=O ZINC000308215935 187304631 /nfs/dbraw/zinc/30/46/31/187304631.db2.gz ZTTBSNUFUJWXMW-MRVPVSSYSA-N 0 3 208.327 0.264 20 0 BCADHN CCCCNC(=O)CCN(C)CCNC(C)=O ZINC000563083644 323089697 /nfs/dbraw/zinc/08/96/97/323089697.db2.gz UTXSCRSGSKKSFX-UHFFFAOYSA-N 0 3 243.351 0.361 20 0 BCADHN O=C(CC1(O)CCCC1)NCCN1CCCC1 ZINC000081234409 345468068 /nfs/dbraw/zinc/46/80/68/345468068.db2.gz XLFFRGQSFLNHII-UHFFFAOYSA-N 0 3 240.347 0.894 20 0 BCADHN C[C@@H]1C[C@H](CO)CCN1CC(=O)N1CCCC1 ZINC000626118502 345472576 /nfs/dbraw/zinc/47/25/76/345472576.db2.gz WTYHGPAXYUIPBZ-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN CC[NH+](CC)CCSCCc1nnn[n-]1 ZINC000603339383 349929046 /nfs/dbraw/zinc/92/90/46/349929046.db2.gz PBBRZILDCGBTEV-UHFFFAOYSA-N 0 3 229.353 0.817 20 0 BCADHN CC[NH+](CC)CCSCCc1nn[n-]n1 ZINC000603339383 349929052 /nfs/dbraw/zinc/92/90/52/349929052.db2.gz PBBRZILDCGBTEV-UHFFFAOYSA-N 0 3 229.353 0.817 20 0 BCADHN NS(=O)(=O)CCCN1CCC12CCC2 ZINC000081515901 345482331 /nfs/dbraw/zinc/48/23/31/345482331.db2.gz AGLULVZVKOMEIT-UHFFFAOYSA-N 0 3 218.322 0.293 20 0 BCADHN COC[C@H](N[C@H](CO)c1cnn(C)c1)C1CC1 ZINC000090884310 345577090 /nfs/dbraw/zinc/57/70/90/345577090.db2.gz CRFJRHPZRSSGMS-NEPJUHHUSA-N 0 3 239.319 0.468 20 0 BCADHN COC[C@H](N)C(=O)N(CCN(C)C)CC(C)C ZINC000159767135 345525879 /nfs/dbraw/zinc/52/58/79/345525879.db2.gz SFGOYOAXNKYKQJ-NSHDSACASA-N 0 3 245.367 0.006 20 0 BCADHN O=C(NCCN1CCCC1)C1(O)CCCCC1 ZINC000086559060 345532673 /nfs/dbraw/zinc/53/26/73/345532673.db2.gz VCGBGYLBVJKNOF-UHFFFAOYSA-N 0 3 240.347 0.894 20 0 BCADHN CCNC(=O)c1ccc(NCCN(C)C)nc1 ZINC000090998375 345579265 /nfs/dbraw/zinc/57/92/65/345579265.db2.gz KJNFOBQHSJUFPD-UHFFFAOYSA-N 0 3 236.319 0.805 20 0 BCADHN C[C@H](Cn1ccnc1)NCc1cn[nH]c1 ZINC000393603731 345555878 /nfs/dbraw/zinc/55/58/78/345555878.db2.gz AKJYPYVNPDMYHD-SECBINFHSA-N 0 3 205.265 0.785 20 0 BCADHN CCOC[C@H](C)NC[C@@H]1CN(C2CC2)CCO1 ZINC000089682683 345558678 /nfs/dbraw/zinc/55/86/78/345558678.db2.gz WVTHDOKBKIPYQL-WCQYABFASA-N 0 3 242.363 0.864 20 0 BCADHN CCN(CCNC(=O)N(C)C[C@@H](C)O)C1CC1 ZINC000091216564 345593984 /nfs/dbraw/zinc/59/39/84/345593984.db2.gz WVLJWYQFKPNTNW-SNVBAGLBSA-N 0 3 243.351 0.493 20 0 BCADHN COCCN(C)[C@H](C)CN1CCOCC1 ZINC000091541560 345597114 /nfs/dbraw/zinc/59/71/14/345597114.db2.gz WFEFAJDEBDRHAG-LLVKDONJSA-N 0 3 216.325 0.285 20 0 BCADHN CSCc1cn(C[C@@H]2CNCCO2)nn1 ZINC000600977896 345610323 /nfs/dbraw/zinc/61/03/23/345610323.db2.gz MZLCTBFIYSLPRZ-VIFPVBQESA-N 0 3 228.321 0.130 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)N(C)CCN(C)C ZINC000092488664 345624831 /nfs/dbraw/zinc/62/48/31/345624831.db2.gz OCXXKIOGZWIZPX-VHSXEESVSA-N 0 3 214.309 0.431 20 0 BCADHN Cn1cnc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000626140027 345634439 /nfs/dbraw/zinc/63/44/39/345634439.db2.gz KDWUFRMEOGZXLM-MVWJERBFSA-N 0 3 221.304 0.765 20 0 BCADHN COCCCOCC(=O)N[C@@H]1CCCN(C)C1 ZINC000678835368 488289763 /nfs/dbraw/zinc/28/97/63/488289763.db2.gz SOPIJTONKUTMNF-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN CC[C@@H](N)c1cn([C@@H](C)C(=O)OC)nn1 ZINC000600976310 345581543 /nfs/dbraw/zinc/58/15/43/345581543.db2.gz MTMXADUCOJOOGD-NKWVEPMBSA-N 0 3 212.253 0.422 20 0 BCADHN CC[C@H](N)c1cn([C@H](C)C(=O)OC)nn1 ZINC000600976312 345581593 /nfs/dbraw/zinc/58/15/93/345581593.db2.gz MTMXADUCOJOOGD-RQJHMYQMSA-N 0 3 212.253 0.422 20 0 BCADHN CC[C@@](C)(N)c1cn([C@H](C)C(=O)OC)nn1 ZINC000600976498 345582979 /nfs/dbraw/zinc/58/29/79/345582979.db2.gz QHZOWZFOJGFUIP-GMSGAONNSA-N 0 3 226.280 0.596 20 0 BCADHN CCC[C@@H](N)c1cn([C@H](C)C(=O)OC)nn1 ZINC000600976917 345584620 /nfs/dbraw/zinc/58/46/20/345584620.db2.gz WPUYMEORLAUQAR-HTQZYQBOSA-N 0 3 226.280 0.812 20 0 BCADHN COC(=O)[C@@H](C)n1cc(CCN(C)C)nn1 ZINC000600980005 345636027 /nfs/dbraw/zinc/63/60/27/345636027.db2.gz PQONXMULCZHTDK-MRVPVSSYSA-N 0 3 226.280 0.116 20 0 BCADHN O[C@H]1CC[C@H](NCc2cnccn2)CC1 ZINC000252853469 345588562 /nfs/dbraw/zinc/58/85/62/345588562.db2.gz GOTZFFUNPFMUPI-HOMQSWHASA-N 0 3 207.277 0.870 20 0 BCADHN CC(C(=O)NCCC(C)(F)F)S(C)(=O)=O ZINC000622624283 345591021 /nfs/dbraw/zinc/59/10/21/345591021.db2.gz CGYSGMCUUQLKAD-LURJTMIESA-N 0 3 243.275 0.581 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCN(C)CC2)C1 ZINC000093170177 345658011 /nfs/dbraw/zinc/65/80/11/345658011.db2.gz IBGHXCFTUIMWSU-NSHDSACASA-N 0 3 225.336 0.102 20 0 BCADHN C[C@@H](O)CNCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641701544 362614700 /nfs/dbraw/zinc/61/47/00/362614700.db2.gz UTXGWBOFGCYAID-SSDOTTSWSA-N 0 3 221.260 0.739 20 0 BCADHN Cn1cc(CCNCc2ccncc2N)cn1 ZINC000641709092 362616984 /nfs/dbraw/zinc/61/69/84/362616984.db2.gz FOXOZHYDHWHHFU-UHFFFAOYSA-N 0 3 231.303 0.730 20 0 BCADHN COC(=O)c1cc(CN2CC[C@H](CO)C2)c[nH]1 ZINC000092764486 345642911 /nfs/dbraw/zinc/64/29/11/345642911.db2.gz HBNXCCGQUUKRDU-VIFPVBQESA-N 0 3 238.287 0.616 20 0 BCADHN CCOC(=O)C1(C)CCN(CCO)CC1 ZINC000092823739 345643797 /nfs/dbraw/zinc/64/37/97/345643797.db2.gz ITINTZCCYIJXDC-UHFFFAOYSA-N 0 3 215.293 0.644 20 0 BCADHN CNC(=O)[C@H](C)CN(C)Cc1ccn(C)c1 ZINC000093899030 345667298 /nfs/dbraw/zinc/66/72/98/345667298.db2.gz GOONWLQASGSXFJ-SNVBAGLBSA-N 0 3 223.320 0.839 20 0 BCADHN O[C@@H]1CC[C@H]2CCN(Cc3c[nH]cn3)[C@@H]12 ZINC000626140287 345645529 /nfs/dbraw/zinc/64/55/29/345645529.db2.gz VZZOFUTVWDHSLH-JMJZKYOTSA-N 0 3 207.277 0.755 20 0 BCADHN O[C@@H]1CC[C@H]2CCN(Cc3cnc[nH]3)[C@@H]12 ZINC000626140287 345645530 /nfs/dbraw/zinc/64/55/30/345645530.db2.gz VZZOFUTVWDHSLH-JMJZKYOTSA-N 0 3 207.277 0.755 20 0 BCADHN C[C@@H]1CC[C@@H](N(C)CC(=O)N2CCOCC2)C1 ZINC000092872079 345646463 /nfs/dbraw/zinc/64/64/63/345646463.db2.gz VWTLILHBNCQRHI-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CNC(=O)CCCN1CCC(C(=O)OC)CC1 ZINC000068820816 349936833 /nfs/dbraw/zinc/93/68/33/349936833.db2.gz WDRSKRZKXXRBJE-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN NC(=O)C1(CNCc2ccncc2N)CCCC1 ZINC000641728286 362648878 /nfs/dbraw/zinc/64/88/78/362648878.db2.gz ORJCVZABLISNPM-UHFFFAOYSA-N 0 3 248.330 0.799 20 0 BCADHN CC(C)[C@@H](O)CNCc1ccncc1N ZINC000641728618 362649148 /nfs/dbraw/zinc/64/91/48/362649148.db2.gz WNNFXEDVWHJWMM-NSHDSACASA-N 0 3 209.293 0.770 20 0 BCADHN Nc1cnccc1CNC[C@]1(O)CCSC1 ZINC000641733029 362653538 /nfs/dbraw/zinc/65/35/38/362653538.db2.gz MKXPLTCAPAZWKK-LLVKDONJSA-N 0 3 239.344 0.621 20 0 BCADHN COC[C@@](C)(CCO)NCc1ccncc1N ZINC000641733469 362654946 /nfs/dbraw/zinc/65/49/46/362654946.db2.gz QLBLRTHIRQEWPX-GFCCVEGCSA-N 0 3 239.319 0.541 20 0 BCADHN C[C@@H](C[NH3+])C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095229078 345684198 /nfs/dbraw/zinc/68/41/98/345684198.db2.gz YBWRMXAPKZBWCA-ZETCQYMHSA-N 0 3 246.274 0.400 20 0 BCADHN C[C@@H](C[NH3+])C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095229078 345684200 /nfs/dbraw/zinc/68/42/00/345684200.db2.gz YBWRMXAPKZBWCA-ZETCQYMHSA-N 0 3 246.274 0.400 20 0 BCADHN CCC[C@H](C)CC(=O)N[C@@H](CO)CN(C)C ZINC000673520623 488292828 /nfs/dbraw/zinc/29/28/28/488292828.db2.gz KZNVCJSRJFESQW-WDEREUQCSA-N 0 3 230.352 0.851 20 0 BCADHN Nc1cnccc1CN[C@@H]1CCN(C2CC2)C1 ZINC000641717300 362629944 /nfs/dbraw/zinc/62/99/44/362629944.db2.gz DOEXXLGVYLUUGT-LLVKDONJSA-N 0 3 232.331 0.990 20 0 BCADHN Nc1cnccc1CN[C@@H]1CCCOC1 ZINC000641719634 362635272 /nfs/dbraw/zinc/63/52/72/362635272.db2.gz XSFACEBNDUPREK-SNVBAGLBSA-N 0 3 207.277 0.932 20 0 BCADHN CCC[C@@H](O)CNCc1ccncc1N ZINC000641720477 362636657 /nfs/dbraw/zinc/63/66/57/362636657.db2.gz VQAPUNPTDJCSFP-SNVBAGLBSA-N 0 3 209.293 0.914 20 0 BCADHN CC(C(=O)N1CC[C@@H]1C1CC1)S(C)(=O)=O ZINC000622637127 345698232 /nfs/dbraw/zinc/69/82/32/345698232.db2.gz ROMAPTLMTZBVCF-IONNQARKSA-N 0 3 231.317 0.430 20 0 BCADHN CC[C@H](CCO)NCc1ccncc1N ZINC000641725585 362641449 /nfs/dbraw/zinc/64/14/49/362641449.db2.gz JSMKQXYVGKEVJU-SNVBAGLBSA-N 0 3 209.293 0.914 20 0 BCADHN CCCCO[C@@H](C)C(=O)N[C@H](CO)CN(C)C ZINC000673523408 488293404 /nfs/dbraw/zinc/29/34/04/488293404.db2.gz WUVMPXARKNDYJY-QWRGUYRKSA-N 0 3 246.351 0.230 20 0 BCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC1CC1 ZINC000159962353 345741199 /nfs/dbraw/zinc/74/11/99/345741199.db2.gz BDJNNIHUMYWXNP-CWSCBRNRSA-N 0 3 238.331 0.798 20 0 BCADHN Cn1cc(CNC(=O)CN)c(C(F)(F)F)n1 ZINC000564571007 323094870 /nfs/dbraw/zinc/09/48/70/323094870.db2.gz OPXUTDUYKHLSNJ-UHFFFAOYSA-N 0 3 236.197 0.014 20 0 BCADHN CCN(CCCO)CCNC(=O)NC(C)C ZINC000221537177 345747566 /nfs/dbraw/zinc/74/75/66/345747566.db2.gz JXBATOGZRAENLX-UHFFFAOYSA-N 0 3 231.340 0.398 20 0 BCADHN CN1CCC(NC(=O)C(C)(C)CO)CC1 ZINC000141797675 345703484 /nfs/dbraw/zinc/70/34/84/345703484.db2.gz KEYFXXWIBXCQMI-UHFFFAOYSA-N 0 3 214.309 0.215 20 0 BCADHN CC[C@H](O)CN[C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000626143578 345734465 /nfs/dbraw/zinc/73/44/65/345734465.db2.gz XRNNVKNLUNGBNE-AEJSXWLSSA-N 0 3 241.291 0.569 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C(C1CC1)C1CC1 ZINC000673522639 488293562 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20 0 BCADHN O=C(NC/C=C\CO)[C@@H]1CCN1C1CCCC1 ZINC000636171853 346344967 /nfs/dbraw/zinc/34/49/67/346344967.db2.gz QWPHUSKTVDEBPO-MVZIDQBPSA-N 0 3 238.331 0.668 20 0 BCADHN Cc1cccc(CCCN2C[C@@H](O)[C@H](O)C2)c1 ZINC000278559480 179053890 /nfs/dbraw/zinc/05/38/90/179053890.db2.gz BIVQSXMEHINLLH-ZIAGYGMSSA-N 0 3 235.327 0.965 20 0 BCADHN C[C@H](O)C1(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC000636227087 346360450 /nfs/dbraw/zinc/36/04/50/346360450.db2.gz MYVRGKPTEYVJKW-JTQLQIEISA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@@H]1CCN1C(=O)NC[C@H]1CNCCO1 ZINC000333607864 187366321 /nfs/dbraw/zinc/36/63/21/187366321.db2.gz XPFFGMKYSAJQDW-MNOVXSKESA-N 0 3 241.335 0.415 20 0 BCADHN C[C@H](C(=O)NC[C@H]1CCN1C(C)(C)C)N(C)C ZINC000636156675 346338828 /nfs/dbraw/zinc/33/88/28/346338828.db2.gz UYUTWYUQPXRERN-GHMZBOCLSA-N 0 3 241.379 0.926 20 0 BCADHN CC[C@@H]1CCC[C@H]1NC(=O)C(=O)N(C)CCN ZINC000419102065 192100389 /nfs/dbraw/zinc/10/03/89/192100389.db2.gz XSMXRWRCYUXXMI-NXEZZACHSA-N 0 3 241.335 0.098 20 0 BCADHN COC[C@@H](CCNCc1ccncc1N)OC ZINC000641772178 362711737 /nfs/dbraw/zinc/71/17/37/362711737.db2.gz LSAFMUYPSCKFSY-LLVKDONJSA-N 0 3 239.319 0.805 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCN2C(=O)NC[C@H]2C1 ZINC000336322179 187367877 /nfs/dbraw/zinc/36/78/77/187367877.db2.gz GFPVNQDXMCKRSU-UWVGGRQHSA-N 0 3 241.335 0.103 20 0 BCADHN O=c1[nH]c2ccc(CNC/C=C\CO)cc2[nH]1 ZINC000641772928 362712769 /nfs/dbraw/zinc/71/27/69/362712769.db2.gz UGYKGRYGTLPHJE-UPHRSURJSA-N 0 3 233.271 0.907 20 0 BCADHN Nc1cnccc1CN[C@H]1CCC[C@@H]1O ZINC000641776566 362717202 /nfs/dbraw/zinc/71/72/02/362717202.db2.gz RQPRBWUNXTZRET-QWRGUYRKSA-N 0 3 207.277 0.667 20 0 BCADHN Cc1cccc(CNC(=O)C(=O)N(C)CCN)c1 ZINC000419195855 192101740 /nfs/dbraw/zinc/10/17/40/192101740.db2.gz SLZVBFYNATYPQX-UHFFFAOYSA-N 0 3 249.314 0.028 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@@H]1CCSC1 ZINC000161728300 346379107 /nfs/dbraw/zinc/37/91/07/346379107.db2.gz MSHWWBDZCBEEAA-DTWKUNHWSA-N 0 3 216.350 0.995 20 0 BCADHN CCN(C(=O)[C@@H](C)OC)[C@H]1CCN(CC)C1 ZINC000617929165 346380304 /nfs/dbraw/zinc/38/03/04/346380304.db2.gz CJKFFUOKTNJGKZ-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CCN(C(=O)[C@H](C)OC)[C@@H]1CCN(CC)C1 ZINC000617929167 346380667 /nfs/dbraw/zinc/38/06/67/346380667.db2.gz CJKFFUOKTNJGKZ-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CN(C)CCCS(=O)(=O)N1CC[C@H]1C1CC1 ZINC000632391481 346388075 /nfs/dbraw/zinc/38/80/75/346388075.db2.gz AAAIJYZMJSDIPC-NSHDSACASA-N 0 3 246.376 0.752 20 0 BCADHN COC(=O)[C@@H](C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC000563393455 323122486 /nfs/dbraw/zinc/12/24/86/323122486.db2.gz VTHKFCHRHJUGRS-VHSXEESVSA-N 0 3 242.319 0.348 20 0 BCADHN Cc1cccc(CN(CCO)CCO)c1 ZINC000049753706 179071541 /nfs/dbraw/zinc/07/15/41/179071541.db2.gz XIRKVKKJMKRQBT-UHFFFAOYSA-N 0 3 209.289 0.782 20 0 BCADHN COC(=O)[C@@H](C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC000563393453 323122575 /nfs/dbraw/zinc/12/25/75/323122575.db2.gz VTHKFCHRHJUGRS-NXEZZACHSA-N 0 3 242.319 0.348 20 0 BCADHN CC(C)OC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000636322894 346392694 /nfs/dbraw/zinc/39/26/94/346392694.db2.gz CAICSJPPEKNYIO-LLVKDONJSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000574915296 346412673 /nfs/dbraw/zinc/41/26/73/346412673.db2.gz ODUXNOCKAUIJSB-RKDXNWHRSA-N 0 3 222.292 0.641 20 0 BCADHN CC1(C)CN(CC(=O)N2CCNC(C)(C)C2)C1 ZINC000574926166 346414899 /nfs/dbraw/zinc/41/48/99/346414899.db2.gz VQOTVEQGMISWSG-UHFFFAOYSA-N 0 3 239.363 0.539 20 0 BCADHN Cc1cccc(CN2C[C@H](O)[C@@H](CO)C2)c1 ZINC000317659430 179084296 /nfs/dbraw/zinc/08/42/96/179084296.db2.gz MTYYFPHIDMYNIU-OLZOCXBDSA-N 0 3 221.300 0.780 20 0 BCADHN COc1cc(CN2CCNC[C@](C)(F)C2)on1 ZINC000641800228 362750615 /nfs/dbraw/zinc/75/06/15/362750615.db2.gz ZIKAUUDWPOFGFR-NSHDSACASA-N 0 3 243.282 0.817 20 0 BCADHN C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccncc1[O-] ZINC000575056439 346456637 /nfs/dbraw/zinc/45/66/37/346456637.db2.gz BTYKKZMWEYPRQN-YUMQZZPRSA-N 0 3 221.260 0.146 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(N)cn1)N1CCCC1 ZINC000160730518 346462793 /nfs/dbraw/zinc/46/27/93/346462793.db2.gz YXUBCEKGIAWCMD-JTQLQIEISA-N 0 3 248.330 0.878 20 0 BCADHN CO[C@H](CC(C)C)CN1CCN(CCO)CC1 ZINC000419200693 192103203 /nfs/dbraw/zinc/10/32/03/192103203.db2.gz MAUNXCRUVVORRA-CYBMUJFWSA-N 0 3 244.379 0.657 20 0 BCADHN CC[C@@H](C(=O)NCc1cn(CC)nn1)N(C)C ZINC000618153277 347094996 /nfs/dbraw/zinc/09/49/96/347094996.db2.gz NOUVRWRJMGTTIR-JTQLQIEISA-N 0 3 239.323 0.254 20 0 BCADHN CC[C@@](C)(CO)NCc1cnc(C)n1C ZINC000563439064 323125705 /nfs/dbraw/zinc/12/57/05/323125705.db2.gz IJCKDSKNTRZREM-NSHDSACASA-N 0 3 211.309 0.979 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cnn1 ZINC000332906310 346481617 /nfs/dbraw/zinc/48/16/17/346481617.db2.gz CGZWBDJCTANCFO-JQWIXIFHSA-N 0 3 248.330 0.998 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1CCSC ZINC000170929456 346481694 /nfs/dbraw/zinc/48/16/94/346481694.db2.gz HWZOLEXXJINDBY-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(C)(=O)=O ZINC000246275954 323128055 /nfs/dbraw/zinc/12/80/55/323128055.db2.gz JMBBMHMNLYWYSL-MXWKQRLJSA-N 0 3 248.392 0.902 20 0 BCADHN CC(C)(CC(N)=O)NCC(=O)NCC1CCC1 ZINC000186223001 346499113 /nfs/dbraw/zinc/49/91/13/346499113.db2.gz DIIKTRMZMUUUAK-UHFFFAOYSA-N 0 3 241.335 0.146 20 0 BCADHN C[C@@H]1CN(C(=O)c2cnccc2N)C[C@H](C)N1 ZINC000187177740 346559229 /nfs/dbraw/zinc/55/92/29/346559229.db2.gz YUHUFZQZMYUACY-DTORHVGOSA-N 0 3 234.303 0.486 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)NC[C@H](C)N(C)C ZINC000352622474 187369764 /nfs/dbraw/zinc/36/97/64/187369764.db2.gz DFIXDOSUAIHYEN-GXSJLCMTSA-N 0 3 216.325 0.460 20 0 BCADHN CC(=O)CCC(=O)N1CCC(N(C)C)CC1 ZINC000203582212 346537146 /nfs/dbraw/zinc/53/71/46/346537146.db2.gz DFIUENFAYKEGPD-UHFFFAOYSA-N 0 3 226.320 0.908 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N[C@H]1CCSC1 ZINC000562969966 346539301 /nfs/dbraw/zinc/53/93/01/346539301.db2.gz ICBXALRBBIGKOZ-UWVGGRQHSA-N 0 3 244.360 0.377 20 0 BCADHN CC(=O)CCC(=O)NCCCN1CCCC1 ZINC000203076362 346620262 /nfs/dbraw/zinc/62/02/62/346620262.db2.gz AWFKEOPNOWKOTM-UHFFFAOYSA-N 0 3 226.320 0.958 20 0 BCADHN CO[C@@H](C)CN1CCCC2(C1)OCCO2 ZINC000164068049 346589247 /nfs/dbraw/zinc/58/92/47/346589247.db2.gz TZPIHYMTTVANTM-JTQLQIEISA-N 0 3 215.293 0.860 20 0 BCADHN CC[C@@H](O)CN1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000192811494 365832418 /nfs/dbraw/zinc/83/24/18/365832418.db2.gz DLLPYSNWHZOEOK-QJPTWQEYSA-N 0 3 230.352 0.144 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NCC(=O)N1CCCC1 ZINC000163593258 346567098 /nfs/dbraw/zinc/56/70/98/346567098.db2.gz GDKKKCLLKZHDSS-NXEZZACHSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@H]1CCCCN(CC(=O)NC(N)=O)C1 ZINC000187984833 346667531 /nfs/dbraw/zinc/66/75/31/346667531.db2.gz QPFHDDPTMIPLQQ-MRVPVSSYSA-N 0 3 213.281 0.303 20 0 BCADHN COC(=O)C[C@@](C)(NCCO)c1ccncc1 ZINC000589165451 346670733 /nfs/dbraw/zinc/67/07/33/346670733.db2.gz WRMQVZREBNDBQP-GFCCVEGCSA-N 0 3 238.287 0.442 20 0 BCADHN CO[C@@H]1COC[C@H]1NCC1(O)CCC(C)CC1 ZINC000580189172 346637532 /nfs/dbraw/zinc/63/75/32/346637532.db2.gz IUFHFAWHYSVWHC-QZQSVVMZSA-N 0 3 243.347 0.931 20 0 BCADHN O=C(CNC1CC1)NCCNc1ccccn1 ZINC000580187414 346637602 /nfs/dbraw/zinc/63/76/02/346637602.db2.gz VOFULLVUXCKHPX-UHFFFAOYSA-N 0 3 234.303 0.362 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)Nc1cncnc1 ZINC000580189598 346638959 /nfs/dbraw/zinc/63/89/59/346638959.db2.gz UOYGMCUKRNEHGQ-JTQLQIEISA-N 0 3 236.275 0.184 20 0 BCADHN Cc1cccc(NC(=O)[C@@H]2C[C@H](O)CN2)c1 ZINC000020434455 179138953 /nfs/dbraw/zinc/13/89/53/179138953.db2.gz JZBDVNCEMQDQOP-QWRGUYRKSA-N 0 3 220.272 0.656 20 0 BCADHN C[S@](=O)C1(CNC2CSC2)CC1 ZINC000308157870 346709276 /nfs/dbraw/zinc/70/92/76/346709276.db2.gz PTUKPFNTNZCBHU-LBPRGKRZSA-N 0 3 205.348 0.603 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)C[C@H](C)C(=O)OC ZINC000037823550 346710046 /nfs/dbraw/zinc/71/00/46/346710046.db2.gz JUTCCASOUGYBDQ-VHSXEESVSA-N 0 3 244.335 0.771 20 0 BCADHN Cc1cccc(NC(=O)[C@H]2C[C@H](O)CN2)n1 ZINC000237691317 179141476 /nfs/dbraw/zinc/14/14/76/179141476.db2.gz CHDDEZAPHPBGKU-DTWKUNHWSA-N 0 3 221.260 0.051 20 0 BCADHN CC[C@@H](C)CN(C)CC(=O)N1CCNCC1 ZINC000037173268 346676867 /nfs/dbraw/zinc/67/68/67/346676867.db2.gz WIHWHIUXXVMMAL-LLVKDONJSA-N 0 3 227.352 0.396 20 0 BCADHN C[C@@H](CNC(=O)c1ccn(C)n1)N1CCCC1 ZINC000589687571 346729484 /nfs/dbraw/zinc/72/94/84/346729484.db2.gz NZYFEUSQPATILX-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN CCc1ccccc1NC(=O)C(=O)NCCN ZINC000037243120 346679820 /nfs/dbraw/zinc/67/98/20/346679820.db2.gz QAEVKYSIMNQPSE-UHFFFAOYSA-N 0 3 235.287 0.262 20 0 BCADHN CN(C)CCn1cc(NCc2cncn2C)cn1 ZINC000589260271 346681547 /nfs/dbraw/zinc/68/15/47/346681547.db2.gz JHOQCHUJVQUPJH-UHFFFAOYSA-N 0 3 248.334 0.790 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@H](C)OC)C1 ZINC000389431306 346726665 /nfs/dbraw/zinc/72/66/65/346726665.db2.gz YHNPONMLIWSMMO-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CCN1CCCN(C(=O)[C@@H](C)OC)CC1 ZINC000307774762 346685766 /nfs/dbraw/zinc/68/57/66/346685766.db2.gz MOYNLPNWDTWSEJ-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CC[C@](C)(O)CNC(=O)NCCN(C)C1CC1 ZINC000352729638 187370294 /nfs/dbraw/zinc/37/02/94/187370294.db2.gz ACUZSJNBJBZKKF-LBPRGKRZSA-N 0 3 243.351 0.541 20 0 BCADHN CCCN1CC[C@H](NC(=O)COC)C1 ZINC000389432355 346726908 /nfs/dbraw/zinc/72/69/08/346726908.db2.gz YTOLAIGOUVFWKY-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CCN1CCCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000307830483 346697534 /nfs/dbraw/zinc/69/75/34/346697534.db2.gz ZPWQHUDGFZFFHZ-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H](C)C(=O)NCC ZINC000037481487 346698768 /nfs/dbraw/zinc/69/87/68/346698768.db2.gz MLESHMGYDVLQKZ-KWQFWETISA-N 0 3 229.324 0.145 20 0 BCADHN C[C@H](CNC(=O)c1ccn(C)n1)N(C)C1CC1 ZINC000589965217 346758065 /nfs/dbraw/zinc/75/80/65/346758065.db2.gz GKJFUPBBWJCWBV-SECBINFHSA-N 0 3 236.319 0.633 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2CC(=O)OC(C)(C)C)C1 ZINC000590011019 346764276 /nfs/dbraw/zinc/76/42/76/346764276.db2.gz FSVDIUVIJVODHG-QWRGUYRKSA-N 0 3 240.347 0.964 20 0 BCADHN CSCCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590045254 346766707 /nfs/dbraw/zinc/76/67/07/346766707.db2.gz OGLHSKNGHHEALI-UWVGGRQHSA-N 0 3 228.361 0.902 20 0 BCADHN O[C@@H](CN1CC(CC2CC2)C1)Cn1cccn1 ZINC000621992291 370649520 /nfs/dbraw/zinc/64/95/20/370649520.db2.gz SJQLPOXFBGHBTI-ZDUSSCGKSA-N 0 3 235.331 0.976 20 0 BCADHN COC[C@]1(C)CN(C[C@@H]2CCOC2)CCO1 ZINC000626173128 346731945 /nfs/dbraw/zinc/73/19/45/346731945.db2.gz NQTJBYXQMIPNGN-RYUDHWBXSA-N 0 3 229.320 0.760 20 0 BCADHN CC(C)NC(=O)CN[C@@H](CCO)C(C)(C)C ZINC000181486823 346754370 /nfs/dbraw/zinc/75/43/70/346754370.db2.gz LRLNUUKHJLFAAR-JTQLQIEISA-N 0 3 230.352 0.898 20 0 BCADHN CC(C)NC(=O)CN[C@H](CCO)C(C)(C)C ZINC000181486840 346754383 /nfs/dbraw/zinc/75/43/83/346754383.db2.gz LRLNUUKHJLFAAR-SNVBAGLBSA-N 0 3 230.352 0.898 20 0 BCADHN C[C@@H](NC(=O)Cn1ccnc1)C1=CCN(C)CC1 ZINC000580244221 346795617 /nfs/dbraw/zinc/79/56/17/346795617.db2.gz CVTOOCKGIMNKOO-LLVKDONJSA-N 0 3 248.330 0.650 20 0 BCADHN Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CC[C@H]1O ZINC000378681867 346805594 /nfs/dbraw/zinc/80/55/94/346805594.db2.gz XFIINJSVATWXHL-MVWJERBFSA-N 0 3 221.304 0.910 20 0 BCADHN C[C@@H](O)CCN1CCSC[C@H]1CO ZINC000387886524 347115406 /nfs/dbraw/zinc/11/54/06/347115406.db2.gz FVJRVDYDHZRNFA-RKDXNWHRSA-N 0 3 205.323 0.167 20 0 BCADHN CCOC(=O)CC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590444288 347118078 /nfs/dbraw/zinc/11/80/78/347118078.db2.gz NSFHXVDTAUEWCZ-UWVGGRQHSA-N 0 3 240.303 0.102 20 0 BCADHN CC[NH2+]CCC[N-]S(=O)(=O)c1ccco1 ZINC000309615060 347122313 /nfs/dbraw/zinc/12/23/13/347122313.db2.gz DQSIMMJVEYFNIM-UHFFFAOYSA-N 0 3 232.305 0.558 20 0 BCADHN CCCC[C@@H](N)C(=O)NCc1[nH]cnc1C ZINC000380212820 347143469 /nfs/dbraw/zinc/14/34/69/347143469.db2.gz IJVKWRNEYRZQAM-SECBINFHSA-N 0 3 224.308 0.852 20 0 BCADHN CCCN1CC[C@H](NC(=O)N[C@@H](C)COC)C1 ZINC000641832086 362779679 /nfs/dbraw/zinc/77/96/79/362779679.db2.gz MDFKJRZCPAQMEK-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN CCc1nc(CN[C@](C)(CO)C(C)C)n[nH]1 ZINC000309958825 347205583 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GUKCDXGJDXMTIF-RYUDHWBXSA-N 0 3 212.337 0.785 20 0 BCADHN O=C(CCn1cccn1)N1CCN2CCC1CC2 ZINC000188661239 347286867 /nfs/dbraw/zinc/28/68/67/347286867.db2.gz SRKUGXWXLQYTFC-UHFFFAOYSA-N 0 3 248.330 0.580 20 0 BCADHN CN(C)C1CN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000382365121 347292523 /nfs/dbraw/zinc/29/25/23/347292523.db2.gz XLGSOXJZXZGGQG-UHFFFAOYSA-N 0 3 237.263 0.322 20 0 BCADHN O=C(NC[C@@H]1CCC[C@@H](O)C1)[C@H]1C[C@H](F)CN1 ZINC000188917009 347292537 /nfs/dbraw/zinc/29/25/37/347292537.db2.gz VUZYIDQMJXZRAB-LMLFDSFASA-N 0 3 244.310 0.354 20 0 BCADHN COCCC1(CNC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188960463 347293246 /nfs/dbraw/zinc/29/32/46/347293246.db2.gz ISMTYDQNNOQVHS-VHSXEESVSA-N 0 3 244.310 0.619 20 0 BCADHN CCOC(=O)C[C@H](O)CN[C@@]1(C)CCO[C@H]1C ZINC000300564205 347254293 /nfs/dbraw/zinc/25/42/93/347254293.db2.gz CKXWNNINFUNIBH-NHCYSSNCSA-N 0 3 245.319 0.458 20 0 BCADHN C[C@]1(CN2CCOC[C@H](O)C2)CCCS1 ZINC000628297534 347257322 /nfs/dbraw/zinc/25/73/22/347257322.db2.gz 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20 0 BCADHN CCCCS(=O)(=O)N[C@@H]1CCCNC1 ZINC000019281740 347310292 /nfs/dbraw/zinc/31/02/92/347310292.db2.gz VRAIQUSPOZKZPR-SECBINFHSA-N 0 3 220.338 0.458 20 0 BCADHN O=C(C[C@@H]1CCCCO1)N1CCCNCC1 ZINC000082241749 347310447 /nfs/dbraw/zinc/31/04/47/347310447.db2.gz FUSWFDLNKAKEAG-NSHDSACASA-N 0 3 226.320 0.768 20 0 BCADHN CC(C)CNC(=O)CNC[C@@H]1CCCO1 ZINC000020055534 347402210 /nfs/dbraw/zinc/40/22/10/347402210.db2.gz MQAWXKQVFFYPTL-JTQLQIEISA-N 0 3 214.309 0.527 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2cn[nH]c2)CCN1 ZINC000621152096 347409058 /nfs/dbraw/zinc/40/90/58/347409058.db2.gz OPDYTYUFCPGURM-JTQLQIEISA-N 0 3 222.292 0.480 20 0 BCADHN CC[C@H]1CN(C)CCCN1C(=O)c1ccn[nH]1 ZINC000684823976 488346776 /nfs/dbraw/zinc/34/67/76/488346776.db2.gz XAMDQQBMULIMKW-JTQLQIEISA-N 0 3 236.319 0.966 20 0 BCADHN C[C@@H]1[C@@H](CO)CCN1CCOCC(F)F ZINC000488744527 362823188 /nfs/dbraw/zinc/82/31/88/362823188.db2.gz KDFXZTMKFWQHCI-RKDXNWHRSA-N 0 3 223.263 0.971 20 0 BCADHN CCN(CCNC(=O)NC(C)C)CC(C)(C)O ZINC000582119347 347386134 /nfs/dbraw/zinc/38/61/34/347386134.db2.gz QZCDRSWVTWAVFC-UHFFFAOYSA-N 0 3 245.367 0.787 20 0 BCADHN Cn1ccc(CN2CCNC[C@](C)(F)C2)n1 ZINC000582122212 347395493 /nfs/dbraw/zinc/39/54/93/347395493.db2.gz FRRSYOSQZQGDNY-NSHDSACASA-N 0 3 226.299 0.554 20 0 BCADHN Cc1cccc2nc(CNC(=O)CN)cn21 ZINC000083909213 179230294 /nfs/dbraw/zinc/23/02/94/179230294.db2.gz XZOJLLPIZBWKPT-UHFFFAOYSA-N 0 3 218.260 0.218 20 0 BCADHN CN(Cc1cnc[nH]1)C(=O)[C@@H]1CCCN1C ZINC000616925394 347455584 /nfs/dbraw/zinc/45/55/84/347455584.db2.gz GKVPZLUOBTUDER-JTQLQIEISA-N 0 3 222.292 0.462 20 0 BCADHN CC(C)N(C)CC(=O)N(C)Cc1c[nH]cn1 ZINC000616924675 347455859 /nfs/dbraw/zinc/45/58/59/347455859.db2.gz RTRLFTYQDAXMJZ-UHFFFAOYSA-N 0 3 224.308 0.708 20 0 BCADHN CC(C)N(C)CC(=O)N(C)Cc1cnc[nH]1 ZINC000616924675 347455861 /nfs/dbraw/zinc/45/58/61/347455861.db2.gz RTRLFTYQDAXMJZ-UHFFFAOYSA-N 0 3 224.308 0.708 20 0 BCADHN CC[C@H](N)c1cn(CCC2(O)CCC2)nn1 ZINC000396859442 362837498 /nfs/dbraw/zinc/83/74/98/362837498.db2.gz GTVFCFLXTCRTAH-VIFPVBQESA-N 0 3 224.308 0.993 20 0 BCADHN C[C@@H]1C[C@@H](N[C@@H]2CCS(=O)(=O)[C@@H]2C)[C@@H](C)O1 ZINC000623720724 347417728 /nfs/dbraw/zinc/41/77/28/347417728.db2.gz WSPLUAVBAYMFJN-ISUQUUIWSA-N 0 3 247.360 0.718 20 0 BCADHN CCN(CCn1cncn1)C[C@@H]1CCCO1 ZINC000066157160 347443233 /nfs/dbraw/zinc/44/32/33/347443233.db2.gz RSDVNJYCWOOWBJ-NSHDSACASA-N 0 3 224.308 0.779 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)CCN1 ZINC000621156536 347443661 /nfs/dbraw/zinc/44/36/61/347443661.db2.gz BUOCWIWKERRMPZ-AAEUAGOBSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@@H]2CO[C@H](C)C2)CCN1 ZINC000621157243 347448364 /nfs/dbraw/zinc/44/83/64/347448364.db2.gz RRJLQJNVEDAPMT-WOPDTQHZSA-N 0 3 240.347 0.868 20 0 BCADHN Cc1cc(CNC(=O)C2(N)CCC2)on1 ZINC000088050935 362841266 /nfs/dbraw/zinc/84/12/66/362841266.db2.gz CWUJKJFJWBLDMW-UHFFFAOYSA-N 0 3 209.249 0.481 20 0 BCADHN COC[C@H]1CCN(C(=O)C2(N)CCC2)C1 ZINC000088051309 362841360 /nfs/dbraw/zinc/84/13/60/362841360.db2.gz QBYNIVUSGQJHIZ-VIFPVBQESA-N 0 3 212.293 0.363 20 0 BCADHN NC1(C(=O)NCc2nccs2)CCC1 ZINC000088050795 362841380 /nfs/dbraw/zinc/84/13/80/362841380.db2.gz RFHKBSRAFGTIDE-UHFFFAOYSA-N 0 3 211.290 0.641 20 0 BCADHN NC1(C(=O)NCCC(F)(F)F)CCC1 ZINC000088051113 362841459 /nfs/dbraw/zinc/84/14/59/362841459.db2.gz BBMWKMWMXFBHPI-UHFFFAOYSA-N 0 3 210.199 0.936 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2cncn2C)CCN1 ZINC000621157975 347490686 /nfs/dbraw/zinc/49/06/86/347490686.db2.gz FXFIFLZCQHASQH-JTQLQIEISA-N 0 3 236.319 0.490 20 0 BCADHN CC[C@H](C(=O)N(C)Cc1c[nH]cn1)N(C)C ZINC000616926871 347459526 /nfs/dbraw/zinc/45/95/26/347459526.db2.gz SQCDLXPFUDSRSC-SNVBAGLBSA-N 0 3 224.308 0.708 20 0 BCADHN CC[C@H](C(=O)N(C)Cc1cnc[nH]1)N(C)C ZINC000616926871 347459527 /nfs/dbraw/zinc/45/95/27/347459527.db2.gz SQCDLXPFUDSRSC-SNVBAGLBSA-N 0 3 224.308 0.708 20 0 BCADHN COc1cccc(NC(=O)[C@H]2CCN(C)C2)n1 ZINC000616946042 347515224 /nfs/dbraw/zinc/51/52/24/347515224.db2.gz NLGDZIVIGVFCIO-VIFPVBQESA-N 0 3 235.287 0.980 20 0 BCADHN COC(=O)[C@H](NC(=O)[C@H](C)NC1CC1)C(C)C ZINC000382984572 347519639 /nfs/dbraw/zinc/51/96/39/347519639.db2.gz VJGJZAMSEOGIMD-WCBMZHEXSA-N 0 3 242.319 0.441 20 0 BCADHN CC(C)(C)[C@H](O)CN1C[C@H](CO)OC(C)(C)C1 ZINC000302345992 347523831 /nfs/dbraw/zinc/52/38/31/347523831.db2.gz IDGLYBMIIQEPQB-GHMZBOCLSA-N 0 3 245.363 0.865 20 0 BCADHN COC(=O)CCCN1CC[C@@H](O)[C@H]1C ZINC000590762450 347527007 /nfs/dbraw/zinc/52/70/07/347527007.db2.gz WYRREMFCEIQDFA-RKDXNWHRSA-N 0 3 201.266 0.395 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCOCC(F)F ZINC000577218989 365886533 /nfs/dbraw/zinc/88/65/33/365886533.db2.gz QPOFXXGIIGXMOG-HTQZYQBOSA-N 0 3 225.235 0.272 20 0 BCADHN CCN1C[C@@H](C)[C@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC000390645560 259396184 /nfs/dbraw/zinc/39/61/84/259396184.db2.gz NVEBKPKTBDZVIC-OUAUKWLOSA-N 0 3 227.352 0.393 20 0 BCADHN CN1CCC[C@@H](NC(=O)NCc2ccccn2)C1 ZINC000616981392 347563222 /nfs/dbraw/zinc/56/32/22/347563222.db2.gz WGJQXWKPVOYUDX-GFCCVEGCSA-N 0 3 248.330 0.975 20 0 BCADHN CN1CCC[C@H](NC(=O)N[C@H]2C[C@@H](CO)C2)C1 ZINC000636623844 347578229 /nfs/dbraw/zinc/57/82/29/347578229.db2.gz GKQBUSYRYYQLAA-GARJFASQSA-N 0 3 241.335 0.151 20 0 BCADHN CC(C)(C)N1CC[C@@H]1CNC(=O)C(C)(C)CO ZINC000617009649 347580114 /nfs/dbraw/zinc/58/01/14/347580114.db2.gz CLNLRJVYXUIZRX-SNVBAGLBSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)(C)N1CC[C@H]1CNC(=O)C(C)(C)O ZINC000617009637 347580591 /nfs/dbraw/zinc/58/05/91/347580591.db2.gz CILZBCNJFARKNZ-VIFPVBQESA-N 0 3 228.336 0.746 20 0 BCADHN CC(=O)NCC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617022190 347588256 /nfs/dbraw/zinc/58/82/56/347588256.db2.gz QGKYPNMSAAFJPD-SNVBAGLBSA-N 0 3 241.335 0.112 20 0 BCADHN OC1(CNCc2ccccn2)CCOCC1 ZINC000082424867 347588618 /nfs/dbraw/zinc/58/86/18/347588618.db2.gz KACLDSPVXVRHGN-UHFFFAOYSA-N 0 3 222.288 0.713 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCC(C)(F)F ZINC000571641229 323150555 /nfs/dbraw/zinc/15/05/55/323150555.db2.gz FWAVRSCNDQZZPY-ZETCQYMHSA-N 0 3 223.267 0.891 20 0 BCADHN CN1CC[C@H](C(=O)Nc2ccccn2)C1 ZINC000591092663 347617883 /nfs/dbraw/zinc/61/78/83/347617883.db2.gz QHSOLVWHPDEQIP-VIFPVBQESA-N 0 3 205.261 0.972 20 0 BCADHN C[C@H](CNC(=O)CCCn1ccnc1)N(C)C ZINC000591128649 347623020 /nfs/dbraw/zinc/62/30/20/347623020.db2.gz GYTDTAHTVWSISW-LLVKDONJSA-N 0 3 238.335 0.730 20 0 BCADHN CCC(C)(C)CNC(=O)C(=O)N[C@@H](C)CN ZINC000419227868 192107613 /nfs/dbraw/zinc/10/76/13/192107613.db2.gz TVCIJVGYGUEFRQ-QMMMGPOBSA-N 0 3 229.324 0.002 20 0 BCADHN Cc1ccccc1CN1CCC(O)(C(N)=O)CC1 ZINC000284435141 179271917 /nfs/dbraw/zinc/27/19/17/179271917.db2.gz YVVOWBSXNFZHKD-UHFFFAOYSA-N 0 3 248.326 0.807 20 0 BCADHN Cc1ccccc1CN(CCO)CCO ZINC000037625932 179272069 /nfs/dbraw/zinc/27/20/69/179272069.db2.gz CKRPDJJDILBMLP-UHFFFAOYSA-N 0 3 209.289 0.782 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](CO)C1 ZINC000636644136 347645472 /nfs/dbraw/zinc/64/54/72/347645472.db2.gz ISPMYIGXPNBRPZ-OUAUKWLOSA-N 0 3 241.335 0.151 20 0 BCADHN 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CC(C)OC(=O)CCNC(=O)[C@H]1NCC1(C)C ZINC000591674902 347684700 /nfs/dbraw/zinc/68/47/00/347684700.db2.gz ZXCTYMDULTUYHS-SNVBAGLBSA-N 0 3 242.319 0.442 20 0 BCADHN COC(=O)[C@H](C)N(C)C(=O)[C@H]1NCC1(C)C ZINC000591687508 347689540 /nfs/dbraw/zinc/68/95/40/347689540.db2.gz PMGPFCHEQRXARB-JGVFFNPUSA-N 0 3 228.292 0.004 20 0 BCADHN COC(=O)[C@H](C)N(C)C(=O)[C@@H]1NCC1(C)C ZINC000591687510 347689715 /nfs/dbraw/zinc/68/97/15/347689715.db2.gz PMGPFCHEQRXARB-YUMQZZPRSA-N 0 3 228.292 0.004 20 0 BCADHN C[C@H](NCc1cn[nH]c1)[C@H](C)N1CCOCC1 ZINC000591726759 347693294 /nfs/dbraw/zinc/69/32/94/347693294.db2.gz UNJCHZSMTXVXGH-QWRGUYRKSA-N 0 3 238.335 0.609 20 0 BCADHN C[C@@H](NCc1cn[nH]c1)[C@@H](C)N1CCOCC1 ZINC000591726757 347693550 /nfs/dbraw/zinc/69/35/50/347693550.db2.gz UNJCHZSMTXVXGH-GHMZBOCLSA-N 0 3 238.335 0.609 20 0 BCADHN CSC[C@H](O)CNCC(=O)N1CCCCC1 ZINC000591733849 347693760 /nfs/dbraw/zinc/69/37/60/347693760.db2.gz VDGZNYHETNOARX-SNVBAGLBSA-N 0 3 246.376 0.312 20 0 BCADHN Cc1ccccc1CN1C[C@H](O)[C@@H](O)C1 ZINC000235794960 179276932 /nfs/dbraw/zinc/27/69/32/179276932.db2.gz XSDCZAJHJUMBDI-RYUDHWBXSA-N 0 3 207.273 0.532 20 0 BCADHN CS[C@H]1CC[C@H]1NC1COCCOC1 ZINC000591838896 347704335 /nfs/dbraw/zinc/70/43/35/347704335.db2.gz SNYWBTRTODSBPM-ZJUUUORDSA-N 0 3 217.334 0.885 20 0 BCADHN c1cn([C@H]2CCCN(CCn3cncn3)C2)cn1 ZINC000591869445 347704499 /nfs/dbraw/zinc/70/44/99/347704499.db2.gz WTRPIZPKLVRYMX-LBPRGKRZSA-N 0 3 246.318 0.812 20 0 BCADHN CC(C)N(C)CC(=O)N1CC(F)(F)C1 ZINC000679649596 488362481 /nfs/dbraw/zinc/36/24/81/488362481.db2.gz AIRORLXBTSEYDT-UHFFFAOYSA-N 0 3 206.236 0.804 20 0 BCADHN COC(=O)[C@H]1CNCCCN1Cc1cocn1 ZINC000592433464 347778310 /nfs/dbraw/zinc/77/83/10/347778310.db2.gz GCWNRHPAAIPVEA-SNVBAGLBSA-N 0 3 239.275 0.012 20 0 BCADHN COC[C@H](C)CN1CCCNC[C@H]1C(=O)OC ZINC000592434532 347778436 /nfs/dbraw/zinc/77/84/36/347778436.db2.gz KXURGZWNFZTRJW-MNOVXSKESA-N 0 3 244.335 0.106 20 0 BCADHN CC[C@H](C)CN1CCCNC[C@H]1C(=O)OC ZINC000592436075 347778903 /nfs/dbraw/zinc/77/89/03/347778903.db2.gz XELBEPVTBBXRPG-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NC[C@H](C)C1CC1 ZINC000592055413 347731745 /nfs/dbraw/zinc/73/17/45/347731745.db2.gz OXBOYLKQBNGEFA-WPRPVWTQSA-N 0 3 242.319 0.429 20 0 BCADHN CCOCCCN1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592193924 347748827 /nfs/dbraw/zinc/74/88/27/347748827.db2.gz BRCRGGUNJWVWNQ-QWRGUYRKSA-N 0 3 245.319 0.269 20 0 BCADHN COC(=O)[C@@H]1C[C@H](O)CN(CCCCCO)C1 ZINC000592194939 347750177 /nfs/dbraw/zinc/75/01/77/347750177.db2.gz FYJFJMMFKNHLBP-MNOVXSKESA-N 0 3 245.319 0.005 20 0 BCADHN COC(=O)C1(CNC(=O)C(C)(C)N)CCCC1 ZINC000592197764 347751208 /nfs/dbraw/zinc/75/12/08/347751208.db2.gz JASSQKXPXXFNIC-UHFFFAOYSA-N 0 3 242.319 0.573 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN(CC)CCSC ZINC000592203685 347755916 /nfs/dbraw/zinc/75/59/16/347755916.db2.gz NNENXVAVZLZUJE-NSHDSACASA-N 0 3 249.376 0.985 20 0 BCADHN COCCCCN1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592209189 347757513 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202.323 0.688 20 0 BCADHN CN[C@@H](C)C(=O)NCCN(C)CC(F)(F)F ZINC000577389085 365943176 /nfs/dbraw/zinc/94/31/76/365943176.db2.gz VRLDWXPIVYMLBP-ZETCQYMHSA-N 0 3 241.257 0.205 20 0 BCADHN CN(CCn1nnnc1CN)Cc1ccccc1 ZINC000577370200 365936607 /nfs/dbraw/zinc/93/66/07/365936607.db2.gz ZAMWTXICIIVGRF-UHFFFAOYSA-N 0 3 246.318 0.264 20 0 BCADHN COCCN1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC000593925048 347963894 /nfs/dbraw/zinc/96/38/94/347963894.db2.gz KJVSRDBXMGJUBY-DCAQKATOSA-N 0 3 226.320 0.479 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638697180 352535993 /nfs/dbraw/zinc/53/59/93/352535993.db2.gz FQVZSEIRRBYIIR-QEYWKRMJSA-N 0 3 241.335 0.082 20 0 BCADHN Cn1nnnc1N1CCN(C2CCCC2)CC1 ZINC000593994288 347981279 /nfs/dbraw/zinc/98/12/79/347981279.db2.gz OAUNFNAAMFYPQG-UHFFFAOYSA-N 0 3 236.323 0.275 20 0 BCADHN CCN1CC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000616305603 348034421 /nfs/dbraw/zinc/03/44/21/348034421.db2.gz DCJOMNWEFKQWEE-QMMMGPOBSA-N 0 3 208.265 0.234 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1C[C@@H](O)CC[C@@H]1C ZINC000401822751 348035125 /nfs/dbraw/zinc/03/51/25/348035125.db2.gz AHVRUGVIOFJUFW-GARJFASQSA-N 0 3 245.319 0.146 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2cnc3n2CCC3)C1 ZINC000616305533 348036621 /nfs/dbraw/zinc/03/66/21/348036621.db2.gz BNOLDYCIHLBQJC-SNVBAGLBSA-N 0 3 248.330 0.653 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C(=O)OC)C(C)(C)C ZINC000594432703 348045973 /nfs/dbraw/zinc/04/59/73/348045973.db2.gz AVFHHGZTERILIG-YUMQZZPRSA-N 0 3 230.308 0.298 20 0 BCADHN CCN1CCC(NC(=O)[C@@H]2CSCN2)CC1 ZINC000038098248 348052918 /nfs/dbraw/zinc/05/29/18/348052918.db2.gz AZNZZRPRRNXWMW-JTQLQIEISA-N 0 3 243.376 0.249 20 0 BCADHN CS[C@@H](C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000594451873 348058171 /nfs/dbraw/zinc/05/81/71/348058171.db2.gz RIACWVDWHUPIAH-WHFBIAKZSA-N 0 3 230.255 0.744 20 0 BCADHN COc1ccc(N(C#N)C[C@H]2CNCCO2)cc1 ZINC000594696554 348101014 /nfs/dbraw/zinc/10/10/14/348101014.db2.gz QDDLUNDSLFONAN-CYBMUJFWSA-N 0 3 247.298 0.971 20 0 BCADHN Cn1ccc(C(=O)NC[C@H]2CCCN(C)C2)n1 ZINC000594702926 348102553 /nfs/dbraw/zinc/10/25/53/348102553.db2.gz CGACPKDASPEDNZ-SNVBAGLBSA-N 0 3 236.319 0.492 20 0 BCADHN CC1(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)CCC1 ZINC000594739305 348110315 /nfs/dbraw/zinc/11/03/15/348110315.db2.gz UINSNXBVYQERJP-WDEREUQCSA-N 0 3 237.347 0.420 20 0 BCADHN C[C@H](O)CN1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000563726396 323175915 /nfs/dbraw/zinc/17/59/15/323175915.db2.gz NSPHPTGGPJBUNP-GXSJLCMTSA-N 0 3 240.347 0.604 20 0 BCADHN CCN1CC[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)C1 ZINC000616307294 348118362 /nfs/dbraw/zinc/11/83/62/348118362.db2.gz KNVOWVXBSOUSNF-LLVKDONJSA-N 0 3 249.314 0.540 20 0 BCADHN COC(=O)CC1(NCc2c[nH]nc2C)CC1 ZINC000563726159 323175957 /nfs/dbraw/zinc/17/59/57/323175957.db2.gz YJOOURYPSPETBR-UHFFFAOYSA-N 0 3 223.276 0.903 20 0 BCADHN CCn1cnc(C(=O)N[C@@H]2CCN(CC)C2)c1 ZINC000616307183 348120452 /nfs/dbraw/zinc/12/04/52/348120452.db2.gz HWKBCGTTXAULOH-SNVBAGLBSA-N 0 3 236.319 0.727 20 0 BCADHN CCN1C[C@H](N[C@H](C)[C@H](C)OC)CC1=O ZINC000391533610 323176153 /nfs/dbraw/zinc/17/61/53/323176153.db2.gz ZQCFDDWVHAZYDS-KXUCPTDWSA-N 0 3 214.309 0.620 20 0 BCADHN CCOC(=O)[C@@H](C)n1cc([C@@H](N)CC)nn1 ZINC000594651225 348089801 /nfs/dbraw/zinc/08/98/01/348089801.db2.gz MSYIIIWNCGEHPA-SFYZADRCSA-N 0 3 226.280 0.812 20 0 BCADHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cnccn1 ZINC000594651504 348089948 /nfs/dbraw/zinc/08/99/48/348089948.db2.gz GWQUZCSGMFWZPO-NSHDSACASA-N 0 3 246.314 0.691 20 0 BCADHN CCOC(=O)[C@@H](C)n1cc([C@@](C)(N)CC)nn1 ZINC000594653366 348091313 /nfs/dbraw/zinc/09/13/13/348091313.db2.gz WNTGGPYDXGHRFA-KCJUWKMLSA-N 0 3 240.307 0.986 20 0 BCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C1CC1 ZINC000594654238 348092007 /nfs/dbraw/zinc/09/20/07/348092007.db2.gz SHCQSXGKTXKAPH-LLVKDONJSA-N 0 3 208.305 0.997 20 0 BCADHN Cn1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000594667340 348096294 /nfs/dbraw/zinc/09/62/94/348096294.db2.gz NEVLKGKDUAKHHC-LLVKDONJSA-N 0 3 248.330 0.634 20 0 BCADHN CC[C@@H](CN[C@]1(CC(=O)OC)CCOC1)OC ZINC000419236342 192111848 /nfs/dbraw/zinc/11/18/48/192111848.db2.gz FAIIEEHRXPRDTE-JQWIXIFHSA-N 0 3 245.319 0.723 20 0 BCADHN CCNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000594946891 348146147 /nfs/dbraw/zinc/14/61/47/348146147.db2.gz QYUMFLTVXIRZKZ-SNVBAGLBSA-N 0 3 211.309 0.790 20 0 BCADHN COC(=O)[C@@H]1C[C@H]1[C@H](C)N[C@H]1CCCNC1=O ZINC000594952246 348147810 /nfs/dbraw/zinc/14/78/10/348147810.db2.gz FDZHGZFLRZHZRK-QEYWKRMJSA-N 0 3 240.303 0.052 20 0 BCADHN COC(C)(C)CN(C)CCCS(N)(=O)=O ZINC000308727628 323177239 /nfs/dbraw/zinc/17/72/39/323177239.db2.gz NNUGLYLAHUFEHT-UHFFFAOYSA-N 0 3 238.353 0.022 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1ccnn1C ZINC000594915909 348152416 /nfs/dbraw/zinc/15/24/16/348152416.db2.gz XIBHHZDDJKTZMJ-JMJZKYOTSA-N 0 3 237.303 0.707 20 0 BCADHN CCCNC(=O)CN[C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594916604 348152763 /nfs/dbraw/zinc/15/27/63/348152763.db2.gz HKCUCVWBMKENLY-BBBLOLIVSA-N 0 3 242.319 0.300 20 0 BCADHN 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192132271 /nfs/dbraw/zinc/13/22/71/192132271.db2.gz GVCYQWSKZXTECQ-LLVKDONJSA-N 0 3 217.309 0.685 20 0 BCADHN CCCC1(CNC(=O)C(=O)N(C)CCN)CC1 ZINC000419417337 192132521 /nfs/dbraw/zinc/13/25/21/192132521.db2.gz PTBCSEUYGPMWSB-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN CCS(=O)(=O)NCCN1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419371174 192128815 /nfs/dbraw/zinc/12/88/15/192128815.db2.gz KLMJAALBADCCJV-DCAQKATOSA-N 0 3 248.392 0.902 20 0 BCADHN CN(C)CCNC(=O)NC[C@H]1CC12CC2 ZINC000419559489 192141636 /nfs/dbraw/zinc/14/16/36/192141636.db2.gz OMCRWYBQXOEUCX-SECBINFHSA-N 0 3 211.309 0.647 20 0 BCADHN O=C1NCC[C@@H]1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000668426020 490174700 /nfs/dbraw/zinc/17/47/00/490174700.db2.gz CTWXXQKVGKMANS-LPEHRKFASA-N 0 3 210.277 0.032 20 0 BCADHN C[C@@H](CO)[C@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000636829399 349996867 /nfs/dbraw/zinc/99/68/67/349996867.db2.gz QKTMJZQZQHCEQG-GARJFASQSA-N 0 3 243.351 0.397 20 0 BCADHN CCC(CC)NC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000419593930 192143336 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192375002 /nfs/dbraw/zinc/37/50/02/192375002.db2.gz NNMFABUGOMOJQO-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCOC(=O)CC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000597945615 348846842 /nfs/dbraw/zinc/84/68/42/348846842.db2.gz JWIZJUGEQHPEAZ-JTQLQIEISA-N 0 3 242.319 0.492 20 0 BCADHN COC(=O)[C@@H](C)N1CCCN(C)CC1 ZINC000049956487 348866784 /nfs/dbraw/zinc/86/67/84/348866784.db2.gz MHROVMGARIRNOV-SECBINFHSA-N 0 3 200.282 0.185 20 0 BCADHN CN[C@@H](C)C(=O)NCCCOCC(C)C ZINC000054071961 348874685 /nfs/dbraw/zinc/87/46/85/348874685.db2.gz RVSYFQBSHOAOGK-JTQLQIEISA-N 0 3 216.325 0.773 20 0 BCADHN CN[C@@H](C)C(=O)NCCOc1ccccc1 ZINC000054076705 348880295 /nfs/dbraw/zinc/88/02/95/348880295.db2.gz NAFFTMMKPIECCK-JTQLQIEISA-N 0 3 222.288 0.790 20 0 BCADHN CCCN1CC[C@@H](NC(=O)CC(=O)OCC)C1 ZINC000598342478 348933124 /nfs/dbraw/zinc/93/31/24/348933124.db2.gz NRWKGDAHQDBMRO-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000308867629 348979869 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PQIIBCHRLMUZFF-SFYZADRCSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1nnc(C(=O)N2C[C@@H](C)NC[C@@H]2C)s1 ZINC000623059245 349382996 /nfs/dbraw/zinc/38/29/96/349382996.db2.gz UROPOYRMCCSOMS-RQJHMYQMSA-N 0 3 240.332 0.669 20 0 BCADHN COC(=O)CCN(C)[C@@H]1CCCCN(C)C1=O ZINC000601972472 349408546 /nfs/dbraw/zinc/40/85/46/349408546.db2.gz ZYDYYTJFWZVQIV-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN CCOC(=O)c1cc(C)n(CCN(C)C)n1 ZINC000601933549 349386685 /nfs/dbraw/zinc/38/66/85/349386685.db2.gz RENSILCZXVHGLF-UHFFFAOYSA-N 0 3 225.292 0.930 20 0 BCADHN CCN[C@H](C)C(=O)N(CCOC)CCOC ZINC000309676597 490268683 /nfs/dbraw/zinc/26/86/83/490268683.db2.gz XZNNIJXOPJRGHA-SNVBAGLBSA-N 0 3 232.324 0.106 20 0 BCADHN NC[C@@H](NC(=O)C(=O)c1ccc[nH]1)C1CCCC1 ZINC000623061851 349425154 /nfs/dbraw/zinc/42/51/54/349425154.db2.gz HCKSMKZXGHMZGG-LLVKDONJSA-N 0 3 249.314 0.831 20 0 BCADHN COC[C@H](CN1CCSCC1)OC ZINC000659843174 490269261 /nfs/dbraw/zinc/26/92/61/490269261.db2.gz MMUAYTKGAALVDW-VIFPVBQESA-N 0 3 205.323 0.697 20 0 BCADHN CNC(=O)CN1CCCCC[C@H]1CCO ZINC000342068585 538045049 /nfs/dbraw/zinc/04/50/49/538045049.db2.gz SQRDZYQTRYPCJA-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN CN1CC[C@@H](c2nc(Cn3cccn3)no2)C1 ZINC000603782111 350031096 /nfs/dbraw/zinc/03/10/96/350031096.db2.gz CKCDAIWEWMQZFB-SECBINFHSA-N 0 3 233.275 0.734 20 0 BCADHN C[C@H](N)C(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000082255899 490275717 /nfs/dbraw/zinc/27/57/17/490275717.db2.gz AOKWCQGZVQKFAL-NTSWFWBYSA-N 0 3 242.304 0.675 20 0 BCADHN CC(C)OC[C@H](O)CNCc1ccnn1C ZINC000070905095 350074622 /nfs/dbraw/zinc/07/46/22/350074622.db2.gz JIJNQAYFJVQVER-LLVKDONJSA-N 0 3 227.308 0.296 20 0 BCADHN CN(C)C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000603819652 350039430 /nfs/dbraw/zinc/03/94/30/350039430.db2.gz KHUIEBMZQZYWBP-AWEZNQCLSA-N 0 3 248.326 0.712 20 0 BCADHN CNC(=O)NC(=O)CN(C(C)C)C1CCC1 ZINC000077358810 191005652 /nfs/dbraw/zinc/00/56/52/191005652.db2.gz GKOYYTYEUVVHHV-UHFFFAOYSA-N 0 3 227.308 0.705 20 0 BCADHN CN(C)C1CN(c2cc(C#N)cnn2)C1 ZINC000397011049 350043424 /nfs/dbraw/zinc/04/34/24/350043424.db2.gz OKALKQQRZHCPQQ-UHFFFAOYSA-N 0 3 203.249 0.098 20 0 BCADHN CC(C)(N)C(=O)NCc1cn2ccccc2n1 ZINC000083909162 191008170 /nfs/dbraw/zinc/00/81/70/191008170.db2.gz HXZUQMMFTNMZQB-UHFFFAOYSA-N 0 3 232.287 0.688 20 0 BCADHN CC(C)[C@H](C(=O)N(C)Cc1cn[nH]c1)N(C)C ZINC000603913416 350055346 /nfs/dbraw/zinc/05/53/46/350055346.db2.gz LXDJKAXIKDPQFA-LLVKDONJSA-N 0 3 238.335 0.954 20 0 BCADHN Cn1nncc1CNC[C@H]1CCCC[C@H]1O ZINC000129780066 191009157 /nfs/dbraw/zinc/00/91/57/191009157.db2.gz QZJPONOJDAZIEI-MWLCHTKSSA-N 0 3 224.308 0.456 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)COC ZINC000355116177 350107956 /nfs/dbraw/zinc/10/79/56/350107956.db2.gz RTODUBIYOVJGLI-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN Cc1nc(N2CCCN(C)CC2)cc2nncn21 ZINC000298399336 180002449 /nfs/dbraw/zinc/00/24/49/180002449.db2.gz VRROGBNORZCJBN-UHFFFAOYSA-N 0 3 246.318 0.575 20 0 BCADHN Cc1nc(NC(=O)[C@H]2C[C@H](O)CN2)sc1C ZINC000042573221 180012037 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0.639 20 0 BCADHN CCNC(=O)NC(=O)CN1CCC[C@H]1C(C)C ZINC000049077614 191070831 /nfs/dbraw/zinc/07/08/31/191070831.db2.gz UCHMWNMZFNCUTR-JTQLQIEISA-N 0 3 241.335 0.953 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N(C)CC(C)C ZINC000049442565 191071173 /nfs/dbraw/zinc/07/11/73/191071173.db2.gz NFCXLHFZLYVZDN-MRVPVSSYSA-N 0 3 215.297 0.418 20 0 BCADHN Cc1ncc(CNC(=O)C(C)(C)N)s1 ZINC000040998425 180148828 /nfs/dbraw/zinc/14/88/28/180148828.db2.gz XPZBXUMIVXAYJG-UHFFFAOYSA-N 0 3 213.306 0.805 20 0 BCADHN CCN(CCO)C[C@@H](O)COCc1ccco1 ZINC000068049276 350187744 /nfs/dbraw/zinc/18/77/44/350187744.db2.gz XBGUDNURWCDNIP-LLVKDONJSA-N 0 3 243.303 0.471 20 0 BCADHN Cc1ncc(CNCCn2ccnc2)cn1 ZINC000309695063 180151311 /nfs/dbraw/zinc/15/13/11/180151311.db2.gz KWZHRUDENUMMFS-UHFFFAOYSA-N 0 3 217.276 0.771 20 0 BCADHN C[C@@H](CO)CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000124711544 490399602 /nfs/dbraw/zinc/39/96/02/490399602.db2.gz HESIATPPIPVAAF-ZYHUDNBSSA-N 0 3 240.347 0.605 20 0 BCADHN Cc1nccn1CCCN1CC[C@](F)(CO)C1 ZINC000338590797 180239319 /nfs/dbraw/zinc/23/93/19/180239319.db2.gz YOSZBRKFNYHTIR-GFCCVEGCSA-N 0 3 241.310 0.988 20 0 BCADHN Cc1nccn1CCCN(C)Cc1nc[nH]n1 ZINC000336687437 180235215 /nfs/dbraw/zinc/23/52/15/180235215.db2.gz GSVAPHWXKOIUKB-UHFFFAOYSA-N 0 3 234.307 0.832 20 0 BCADHN Cc1nccn1CCCN(C)Cc1nnc[nH]1 ZINC000336687437 180235218 /nfs/dbraw/zinc/23/52/18/180235218.db2.gz GSVAPHWXKOIUKB-UHFFFAOYSA-N 0 3 234.307 0.832 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CCCN1C1CC1 ZINC000426433318 191083740 /nfs/dbraw/zinc/08/37/40/191083740.db2.gz NOBLTZOIKVBPRY-GFCCVEGCSA-N 0 3 239.363 0.681 20 0 BCADHN CN1CC[C@@H](C(=O)Nc2ccnc3ccnn32)C1 ZINC000605022402 350239994 /nfs/dbraw/zinc/23/99/94/350239994.db2.gz WMLQFVVIRNTJHO-SECBINFHSA-N 0 3 245.286 0.620 20 0 BCADHN Cc1nccn1CCN(C)CC1(CO)CC1 ZINC000275487461 180247330 /nfs/dbraw/zinc/24/73/30/180247330.db2.gz PDYNHYPBNBAWQV-UHFFFAOYSA-N 0 3 223.320 0.896 20 0 BCADHN Cc1nccn1CCN(C)[C@@H](C)C[S@](C)=O ZINC000274463185 180249147 /nfs/dbraw/zinc/24/91/47/180249147.db2.gz MUAUPHKHXVHBQW-QFYYESIMSA-N 0 3 243.376 0.890 20 0 BCADHN CC(C)N1CCC[C@@H](NC(=O)C(C)(C)O)C1 ZINC000427703994 191088930 /nfs/dbraw/zinc/08/89/30/191088930.db2.gz BHULYKGDNMHIEE-SNVBAGLBSA-N 0 3 228.336 0.746 20 0 BCADHN Cc1nccn1CCN(C)[C@H]1CCNC1=O ZINC000346170335 180251561 /nfs/dbraw/zinc/25/15/61/180251561.db2.gz RCWCFKJIXBZYLQ-JTQLQIEISA-N 0 3 222.292 0.012 20 0 BCADHN Cc1nccn1CCN1CC[C@@](F)(CO)C1 ZINC000338623096 180255006 /nfs/dbraw/zinc/25/50/06/180255006.db2.gz ARQPWUUIBFAIJN-NSHDSACASA-N 0 3 227.283 0.598 20 0 BCADHN CS(=O)(=O)N[C@H]1CCCN(C2CCCC2)C1 ZINC000120082671 490410007 /nfs/dbraw/zinc/41/00/07/490410007.db2.gz YFQJIOFUXSETSY-JTQLQIEISA-N 0 3 246.376 0.943 20 0 BCADHN Cc1nccn1CCNC(=O)c1cnccc1N ZINC000261560310 180258079 /nfs/dbraw/zinc/25/80/79/180258079.db2.gz FGFCWIUTKXDGPH-UHFFFAOYSA-N 0 3 245.286 0.599 20 0 BCADHN Cc1nccn1CCNC(=O)CN(C)C(C)C ZINC000299497525 180258343 /nfs/dbraw/zinc/25/83/43/180258343.db2.gz QHEMJBLBFBIPFH-UHFFFAOYSA-N 0 3 238.335 0.648 20 0 BCADHN Cc1nccn1CCNC(=O)[C@H](N)C(C)C ZINC000261590027 180259850 /nfs/dbraw/zinc/25/98/50/180259850.db2.gz UHRIAZOOFNSLBO-SNVBAGLBSA-N 0 3 224.308 0.291 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000402390447 350253275 /nfs/dbraw/zinc/25/32/75/350253275.db2.gz SYUKRSFMEKCVGL-YIZRAAEISA-N 0 3 232.349 0.360 20 0 BCADHN C[C@@H](NC(=O)C(C)(C)O)C1=CCN(C)CC1 ZINC000427690591 191088546 /nfs/dbraw/zinc/08/85/46/191088546.db2.gz URJVWUREQBQZHL-SECBINFHSA-N 0 3 226.320 0.524 20 0 BCADHN C[C@H](NC(=O)C(C)(C)O)C1=CCN(C)CC1 ZINC000427690592 191088697 /nfs/dbraw/zinc/08/86/97/191088697.db2.gz URJVWUREQBQZHL-VIFPVBQESA-N 0 3 226.320 0.524 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H](N)CC(F)F)CO1 ZINC000402394800 350254586 /nfs/dbraw/zinc/25/45/86/350254586.db2.gz XLJBPLPTFBWBRV-FSDSQADBSA-N 0 3 222.235 0.263 20 0 BCADHN Cc1nccn1CCCNC(=O)CN(C)C ZINC000338326013 180243826 /nfs/dbraw/zinc/24/38/26/180243826.db2.gz IPFHMVUGNWRDLO-UHFFFAOYSA-N 0 3 224.308 0.259 20 0 BCADHN CS[C@@H]1CN(C(=O)C(C)(C)O)C[C@@H]1N(C)C ZINC000427704584 191089202 /nfs/dbraw/zinc/08/92/02/191089202.db2.gz KHJVFCMQJHXAIS-DTWKUNHWSA-N 0 3 246.376 0.261 20 0 BCADHN CN1CCC(C(=O)N[C@@H]2CC23CC3)CC1 ZINC000335097979 538084534 /nfs/dbraw/zinc/08/45/34/538084534.db2.gz FRSBFVZICRFTOS-SNVBAGLBSA-N 0 3 208.305 0.997 20 0 BCADHN Cc1nccnc1CCNCc1cncnc1 ZINC000339528333 180273266 /nfs/dbraw/zinc/27/32/66/180273266.db2.gz HIVONUMXGVIPKP-UHFFFAOYSA-N 0 3 229.287 0.907 20 0 BCADHN CCN1CCN(CCOCCO)C[C@H]1C ZINC000252418730 538087728 /nfs/dbraw/zinc/08/77/28/538087728.db2.gz WSUJZACJYGJDSE-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN Cc1nccn1C[C@H](C)CNC(=O)C1(N)CC1 ZINC000262171015 180264825 /nfs/dbraw/zinc/26/48/25/180264825.db2.gz XIEZWMCBNLPYKY-SECBINFHSA-N 0 3 236.319 0.435 20 0 BCADHN Cc1nccn1C[C@H](C)CNC(=O)[C@H](C)N ZINC000178718174 180264896 /nfs/dbraw/zinc/26/48/96/180264896.db2.gz UCUYZQJYTFDGJW-BDAKNGLRSA-N 0 3 224.308 0.291 20 0 BCADHN 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350312705 /nfs/dbraw/zinc/31/27/05/350312705.db2.gz FRAYWSKKRYCJJS-IUCAKERBSA-N 0 3 221.322 0.188 20 0 BCADHN CCO[C@H]1C[C@H](NCC(=O)NC)C12CCC2 ZINC000083684742 350294417 /nfs/dbraw/zinc/29/44/17/350294417.db2.gz DPMPITIFLTVILW-UWVGGRQHSA-N 0 3 226.320 0.670 20 0 BCADHN CCO[C@@H]1C[C@H](NCC(=O)NC)C12CCC2 ZINC000083684741 350294512 /nfs/dbraw/zinc/29/45/12/350294512.db2.gz DPMPITIFLTVILW-VHSXEESVSA-N 0 3 226.320 0.670 20 0 BCADHN CNC(=O)CCNCc1n[nH]c2ccccc12 ZINC000606469651 350340948 /nfs/dbraw/zinc/34/09/48/350340948.db2.gz VOSWOZIFZZDKMB-UHFFFAOYSA-N 0 3 232.287 0.789 20 0 BCADHN CNC(=O)CCNCc1[nH]nc2ccccc21 ZINC000606469651 350340949 /nfs/dbraw/zinc/34/09/49/350340949.db2.gz VOSWOZIFZZDKMB-UHFFFAOYSA-N 0 3 232.287 0.789 20 0 BCADHN CN(C)C(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000050461544 350343003 /nfs/dbraw/zinc/34/30/03/350343003.db2.gz NENXYSYSONGAOR-MNOVXSKESA-N 0 3 247.298 0.674 20 0 BCADHN CN(C[C@@H]1CCCCO1)C(=O)[C@@H]1C[C@@H]1N ZINC000050464718 350343504 /nfs/dbraw/zinc/34/35/04/350343504.db2.gz FUGZVDBHICYERH-AEJSXWLSSA-N 0 3 212.293 0.361 20 0 BCADHN CN(C[C@H]1CCCCO1)C(=O)[C@@H]1C[C@@H]1N ZINC000050464720 350343587 /nfs/dbraw/zinc/34/35/87/350343587.db2.gz FUGZVDBHICYERH-BBBLOLIVSA-N 0 3 212.293 0.361 20 0 BCADHN CCN(C[C@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1N ZINC000050464733 350343645 /nfs/dbraw/zinc/34/36/45/350343645.db2.gz DGEPHZSZZLZHOO-BBBLOLIVSA-N 0 3 212.293 0.361 20 0 BCADHN C[C@@H](CNCc1cn[nH]c1)CN1CCOCC1 ZINC000606472546 350345221 /nfs/dbraw/zinc/34/52/21/350345221.db2.gz QKEQZISXUSYYBZ-NSHDSACASA-N 0 3 238.335 0.468 20 0 BCADHN Cc1ncoc1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000336155898 180297853 /nfs/dbraw/zinc/29/78/53/180297853.db2.gz KVEHGOBMCAPVNT-CBAPKCEASA-N 0 3 223.276 0.805 20 0 BCADHN CCCCN(C)CCNC(=O)C(C)(C)O ZINC000427861271 191095968 /nfs/dbraw/zinc/09/59/68/191095968.db2.gz SBWMRQSPWAKOSJ-UHFFFAOYSA-N 0 3 216.325 0.605 20 0 BCADHN CCOC(=O)C[C@@H](O)CN[C@@H]1CCOC1(C)C ZINC000328197200 350391662 /nfs/dbraw/zinc/39/16/62/350391662.db2.gz DAIRSEQOXQZWGR-NXEZZACHSA-N 0 3 245.319 0.458 20 0 BCADHN CCOC(=O)C[C@H](O)CN[C@@H]1CCOC1(C)C ZINC000328197202 350392324 /nfs/dbraw/zinc/39/23/24/350392324.db2.gz DAIRSEQOXQZWGR-VHSXEESVSA-N 0 3 245.319 0.458 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)NC(C)(C)CN(C)C)CO1 ZINC000563954805 323334656 /nfs/dbraw/zinc/33/46/56/323334656.db2.gz RSVVUYQKZPVPDU-VHSXEESVSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@H](CCO)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000606650155 350402535 /nfs/dbraw/zinc/40/25/35/350402535.db2.gz BZGCEKZOGVAGCX-NXEZZACHSA-N 0 3 229.324 0.151 20 0 BCADHN CCCN(C)CC(=O)NCC[C@@H](COC)OC ZINC000617234133 350404516 /nfs/dbraw/zinc/40/45/16/350404516.db2.gz CQAMEGUBFAEOQM-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CCN1CCN(C[C@H]2COCCO2)CC1 ZINC000336648785 350416851 /nfs/dbraw/zinc/41/68/51/350416851.db2.gz PMVNUAQDUHUQEU-NSHDSACASA-N 0 3 214.309 0.039 20 0 BCADHN CC[C@H](CN(C)[C@@H]1CCC(=O)N(C)C1)OC ZINC000563969278 323335678 /nfs/dbraw/zinc/33/56/78/323335678.db2.gz PDGMBUBLVFVXNP-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN Cc1nn(C)c(C)c1CNC(=O)[C@@H](N)C(C)C ZINC000092328443 180337422 /nfs/dbraw/zinc/33/74/22/180337422.db2.gz FHMUITPUMGWTSG-NSHDSACASA-N 0 3 238.335 0.636 20 0 BCADHN CCN1CCCN(CC(=O)OC)[C@@H](C)C1 ZINC000319887193 350424098 /nfs/dbraw/zinc/42/40/98/350424098.db2.gz APIWROASQAGWHI-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CCC[C@H](N)C(=O)NCCN1CCSCC1 ZINC000226389421 350427012 /nfs/dbraw/zinc/42/70/12/350427012.db2.gz CFNOIKPKFIQRCT-JTQLQIEISA-N 0 3 245.392 0.279 20 0 BCADHN Cc1nn(C)c(C)c1CNC[C@H](O)C1CC1 ZINC000070881443 180339671 /nfs/dbraw/zinc/33/96/71/180339671.db2.gz FZIBECPFHDECBI-LBPRGKRZSA-N 0 3 223.320 0.897 20 0 BCADHN Cc1nn(C)c(C)c1CNC[C@@]1(O)CCOC1 ZINC000229642517 180340329 /nfs/dbraw/zinc/34/03/29/180340329.db2.gz VOJDDEQWYJHGRM-LBPRGKRZSA-N 0 3 239.319 0.278 20 0 BCADHN Cc1nn(C)c2ncc(CNCCCO)cc12 ZINC000111234048 180365004 /nfs/dbraw/zinc/36/50/04/180365004.db2.gz RIDDUBIVUVIQAO-UHFFFAOYSA-N 0 3 234.303 0.749 20 0 BCADHN Cc1nn(C)cc1CN1CCC(CO)CC1 ZINC000128105253 180373289 /nfs/dbraw/zinc/37/32/89/180373289.db2.gz BMERYWDWMGUHBG-UHFFFAOYSA-N 0 3 223.320 0.933 20 0 BCADHN Cc1nn(C)cc1CN(C)CCCCO ZINC000276605033 180373350 /nfs/dbraw/zinc/37/33/50/180373350.db2.gz FUKMBHRRMQNZQE-UHFFFAOYSA-N 0 3 211.309 0.933 20 0 BCADHN Cc1nn(C)cc1CN(CCO)C(C)C ZINC000128043198 180373971 /nfs/dbraw/zinc/37/39/71/180373971.db2.gz HMCDYNAVYMFTKY-UHFFFAOYSA-N 0 3 211.309 0.931 20 0 BCADHN Cc1nn(C)cc1CN[C@@H]1C[C@@H](O)C1(C)C ZINC000163465220 180374962 /nfs/dbraw/zinc/37/49/62/180374962.db2.gz WTIGVVIDMSVCOQ-GHMZBOCLSA-N 0 3 223.320 0.978 20 0 BCADHN Cc1nn(C)cc1CN[C@H](CO)C(C)C ZINC000126065454 180375788 /nfs/dbraw/zinc/37/57/88/180375788.db2.gz QXGNCUQJRKUKGS-LLVKDONJSA-N 0 3 211.309 0.835 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NCCCOCCO ZINC000180248886 180379317 /nfs/dbraw/zinc/37/93/17/180379317.db2.gz YXSMHMXNZZGRMA-SNVBAGLBSA-N 0 3 241.335 0.778 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NCCC(=O)N(C)C ZINC000087408895 180379433 /nfs/dbraw/zinc/37/94/33/180379433.db2.gz SAVCWHXWKSSTAY-SECBINFHSA-N 0 3 238.335 0.857 20 0 BCADHN CCCCOCCN(C)[C@@]1(CO)CCOC1 ZINC000359577311 323354480 /nfs/dbraw/zinc/35/44/80/323354480.db2.gz PWCLVMAJRWVCAQ-GFCCVEGCSA-N 0 3 231.336 0.886 20 0 BCADHN CN(CCNC(=O)NCC1(O)CCC1)C1CC1 ZINC000606687135 350485851 /nfs/dbraw/zinc/48/58/51/350485851.db2.gz ROSNNEHHOYRTAI-UHFFFAOYSA-N 0 3 241.335 0.295 20 0 BCADHN COCCN(C[C@H](O)COC(C)C)C1CC1 ZINC000070187440 350512182 /nfs/dbraw/zinc/51/21/82/350512182.db2.gz XXHYJLKXGMREBD-LBPRGKRZSA-N 0 3 231.336 0.883 20 0 BCADHN Cc1cccc(CNC[C@H](O)CN(C)C2CC2)n1 ZINC000386292044 362962345 /nfs/dbraw/zinc/96/23/45/362962345.db2.gz DAVCIXIGVCHNBP-AWEZNQCLSA-N 0 3 249.358 0.935 20 0 BCADHN CN(C)C(=O)CN(C)CCCCCO ZINC000060372800 350497279 /nfs/dbraw/zinc/49/72/79/350497279.db2.gz RBEHVBWGDGZKBF-UHFFFAOYSA-N 0 3 202.298 0.169 20 0 BCADHN COc1cncc(CN[C@H](C)CC(N)=O)c1C ZINC000631093506 350500280 /nfs/dbraw/zinc/50/02/80/350500280.db2.gz KOEQULWIDKLVFQ-MRVPVSSYSA-N 0 3 237.303 0.752 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NCC(C)(C)CO ZINC000637380273 350501656 /nfs/dbraw/zinc/50/16/56/350501656.db2.gz CKSHYHFAYOUZPT-SNVBAGLBSA-N 0 3 243.351 0.398 20 0 BCADHN CCN(CCN1C(=O)CCC1=O)C1CC1 ZINC000193778746 323367414 /nfs/dbraw/zinc/36/74/14/323367414.db2.gz DYBHFDJKKMHYKA-UHFFFAOYSA-N 0 3 210.277 0.620 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)COC ZINC000061757325 350529048 /nfs/dbraw/zinc/52/90/48/350529048.db2.gz LIIRWFKPXZLRMY-SECBINFHSA-N 0 3 202.298 0.479 20 0 BCADHN C[C@H](F)CCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000577505048 365971832 /nfs/dbraw/zinc/97/18/32/365971832.db2.gz BYHOAVJSXCYADI-GUBZILKMSA-N 0 3 204.289 0.341 20 0 BCADHN C[C@H](CO)[C@H](C)NCC(=O)N1CCCCCC1 ZINC000228591284 350547468 /nfs/dbraw/zinc/54/74/68/350547468.db2.gz HQHQXYLHKFZGES-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CN(C)CCOCCNC(=O)N1CCC1(C)C ZINC000530353275 323380490 /nfs/dbraw/zinc/38/04/90/323380490.db2.gz ATNUUZRVJZROMJ-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN COC[C@@H](C)N1CCN(CC(C)(C)O)CC1 ZINC000070601430 350547834 /nfs/dbraw/zinc/54/78/34/350547834.db2.gz LMUTVHQPAICVRH-LLVKDONJSA-N 0 3 230.352 0.410 20 0 BCADHN O[C@@H]1COC[C@@H]1N[C@@H]1CCCSC1 ZINC000228804668 350558500 /nfs/dbraw/zinc/55/85/00/350558500.db2.gz RPHNAKNJCALGEF-HRDYMLBCSA-N 0 3 203.307 0.231 20 0 BCADHN CCOCCO[C@H]1CCN(CCCCO)C1 ZINC000157844310 191110233 /nfs/dbraw/zinc/11/02/33/191110233.db2.gz RPKDCTJOUSJKOH-LBPRGKRZSA-N 0 3 231.336 0.886 20 0 BCADHN Cc1ncccc1CNC(=O)NCCN(C)C ZINC000637426331 350567604 /nfs/dbraw/zinc/56/76/04/350567604.db2.gz BWZMRYNDDAHMSV-UHFFFAOYSA-N 0 3 236.319 0.751 20 0 BCADHN CCc1cc(N2CC(N(C)C)C2)n2ncnc2n1 ZINC000344147049 538096524 /nfs/dbraw/zinc/09/65/24/538096524.db2.gz YMOXXQWNGKMKDH-UHFFFAOYSA-N 0 3 246.318 0.437 20 0 BCADHN CC(C)(C)OC(=O)CCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368336692 191112647 /nfs/dbraw/zinc/11/26/47/191112647.db2.gz PSKGWGKAMRDVRV-URLYPYJESA-N 0 3 241.331 0.888 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCn2cccn2)C1 ZINC000577526719 365978689 /nfs/dbraw/zinc/97/86/89/365978689.db2.gz DLJGYPRYXOLCMI-LLVKDONJSA-N 0 3 236.319 0.341 20 0 BCADHN COC[C@@H](C)CN(CC(N)=O)CC(C)C ZINC000189699943 350609723 /nfs/dbraw/zinc/60/97/23/350609723.db2.gz BTOZWJUCBGWSAI-JTQLQIEISA-N 0 3 216.325 0.712 20 0 BCADHN CC(C)[C@H](O)CN1CCN(C2CC2)CC1 ZINC000087538477 535147952 /nfs/dbraw/zinc/14/79/52/535147952.db2.gz CPYOFHCCDDZEMS-GFCCVEGCSA-N 0 3 212.337 0.783 20 0 BCADHN C/C=C/CNC(=O)N1CCCN(C)CC1 ZINC000637489067 350651845 /nfs/dbraw/zinc/65/18/45/350651845.db2.gz VGKPNFPULODDTJ-ONEGZZNKSA-N 0 3 211.309 0.910 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@H](N)C1CCOCC1 ZINC000337836071 350630300 /nfs/dbraw/zinc/63/03/00/350630300.db2.gz UJTVWXPBHAYXOQ-GHMZBOCLSA-N 0 3 244.335 0.018 20 0 BCADHN CC[C@@H]1CCCN1C(=O)NC[C@H]1CNCCO1 ZINC000335593834 350635996 /nfs/dbraw/zinc/63/59/96/350635996.db2.gz CEAIVYMLRXKLTA-GHMZBOCLSA-N 0 3 241.335 0.559 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N(C)C)CN1C1CC1 ZINC000177199516 365986236 /nfs/dbraw/zinc/98/62/36/365986236.db2.gz VGYAPWUOBAOEDM-BDAKNGLRSA-N 0 3 211.309 0.883 20 0 BCADHN Cc1noc(CCCNC(=O)[C@@H](N)C(C)C)n1 ZINC000353579134 180482248 /nfs/dbraw/zinc/48/22/48/180482248.db2.gz KHAQFHKJYPJQDC-JTQLQIEISA-N 0 3 240.307 0.410 20 0 BCADHN CN(C)CCNC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000637511155 350668057 /nfs/dbraw/zinc/66/80/57/350668057.db2.gz SYEDFDRITXIPMT-GHMZBOCLSA-N 0 3 241.335 0.415 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NCC(C)(C)CO ZINC000637533646 350684465 /nfs/dbraw/zinc/68/44/65/350684465.db2.gz CKSHYHFAYOUZPT-JTQLQIEISA-N 0 3 243.351 0.398 20 0 BCADHN CC(C)[C@@H](C)CNC(=O)C(C)S(C)(=O)=O ZINC000172447382 535150973 /nfs/dbraw/zinc/15/09/73/535150973.db2.gz XQTOBMRIZQACIV-IUCAKERBSA-N 0 3 235.349 0.828 20 0 BCADHN CCCNC(=O)[C@@H](C)N[C@@H]1COCC1(C)C ZINC000313071163 350692485 /nfs/dbraw/zinc/69/24/85/350692485.db2.gz FDPDXVUONPVPJL-NXEZZACHSA-N 0 3 228.336 0.916 20 0 BCADHN CCN1CCC(NC(=O)C2(C(C)=O)CC2)CC1 ZINC000338614365 350698885 /nfs/dbraw/zinc/69/88/85/350698885.db2.gz NWXJJTACUILRMN-UHFFFAOYSA-N 0 3 238.331 0.956 20 0 BCADHN COC(=O)[C@H]1CNCCCN1CC(C)C ZINC000309527183 350701781 /nfs/dbraw/zinc/70/17/81/350701781.db2.gz BAQCQRAGGUVNLA-SNVBAGLBSA-N 0 3 214.309 0.479 20 0 BCADHN CNCC(=O)NCCOc1ccc(Cl)cn1 ZINC000237226176 350747653 /nfs/dbraw/zinc/74/76/53/350747653.db2.gz OICSLGDSNJLCJW-UHFFFAOYSA-N 0 3 243.694 0.449 20 0 BCADHN CO[C@@H](C)C(=O)NCC1(N(C)C)CCC1 ZINC000097936281 350726214 /nfs/dbraw/zinc/72/62/14/350726214.db2.gz QIGOHFQCCRLKGY-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H](O)CN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000339044718 350728959 /nfs/dbraw/zinc/72/89/59/350728959.db2.gz TYYFDJLSPOAHQG-NXEZZACHSA-N 0 3 224.308 0.755 20 0 BCADHN CCOC(=O)[C@@H](C)CNC(=O)CNC1CC1 ZINC000236943238 350744627 /nfs/dbraw/zinc/74/46/27/350744627.db2.gz GJCHHUPHALJHLE-QMMMGPOBSA-N 0 3 228.292 0.054 20 0 BCADHN Cn1cc(CNCCCn2ccnn2)cn1 ZINC000163759401 350817611 /nfs/dbraw/zinc/81/76/11/350817611.db2.gz PBYOLVYWENIPQU-UHFFFAOYSA-N 0 3 220.280 0.192 20 0 BCADHN COCC(COC)NC[C@H](O)CC(F)(F)F ZINC000307936279 350821357 /nfs/dbraw/zinc/82/13/57/350821357.db2.gz FXSRTFKSXMDZAB-MRVPVSSYSA-N 0 3 245.241 0.551 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000617343460 350772826 /nfs/dbraw/zinc/77/28/26/350772826.db2.gz TZANIMPADUFBNL-GHMZBOCLSA-N 0 3 242.363 0.992 20 0 BCADHN CS[C@@H](C)CNC(=O)CNC(C)C ZINC000122346413 362983736 /nfs/dbraw/zinc/98/37/36/362983736.db2.gz SUTRPFGRZZBHJQ-QMMMGPOBSA-N 0 3 204.339 0.852 20 0 BCADHN Cc1ncc(CN2CC[C@@H](C(=O)N(C)C)C2)o1 ZINC000628310404 350802481 /nfs/dbraw/zinc/80/24/81/350802481.db2.gz CIDHBALPYCVBFO-SNVBAGLBSA-N 0 3 237.303 0.893 20 0 BCADHN CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2c[n-]nn2)C1 ZINC000617353002 350843537 /nfs/dbraw/zinc/84/35/37/350843537.db2.gz CFYIRCGNPFQLFR-MRVPVSSYSA-N 0 3 237.307 0.407 20 0 BCADHN CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2c[n-]nn2)C1 ZINC000617353002 350843540 /nfs/dbraw/zinc/84/35/40/350843540.db2.gz CFYIRCGNPFQLFR-MRVPVSSYSA-N 0 3 237.307 0.407 20 0 BCADHN CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC000617353002 350843543 /nfs/dbraw/zinc/84/35/43/350843543.db2.gz CFYIRCGNPFQLFR-MRVPVSSYSA-N 0 3 237.307 0.407 20 0 BCADHN CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC000617353002 350843546 /nfs/dbraw/zinc/84/35/46/350843546.db2.gz CFYIRCGNPFQLFR-MRVPVSSYSA-N 0 3 237.307 0.407 20 0 BCADHN Cc1ncc(CNCCc2cncn2C)n1C ZINC000623085906 350843628 /nfs/dbraw/zinc/84/36/28/350843628.db2.gz MSDVJFBWNKUCPG-UHFFFAOYSA-N 0 3 233.319 0.794 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCC=C(C)C1 ZINC000382506809 350848675 /nfs/dbraw/zinc/84/86/75/350848675.db2.gz XZZAUHKDJMHTJP-NSHDSACASA-N 0 3 227.304 0.953 20 0 BCADHN CCN1CCC(NC(=O)N2CC(F)C2)CC1 ZINC000336434286 350852181 /nfs/dbraw/zinc/85/21/81/350852181.db2.gz WGDIRYJQULDTGQ-UHFFFAOYSA-N 0 3 229.299 0.834 20 0 BCADHN COC(=O)c1csc(NC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000571074498 350861090 /nfs/dbraw/zinc/86/10/90/350861090.db2.gz RZGKRSSKNFJKBL-RQJHMYQMSA-N 0 3 240.284 0.820 20 0 BCADHN OCC1(CN2CCOCC23CCCC3)COC1 ZINC000388734445 350866201 /nfs/dbraw/zinc/86/62/01/350866201.db2.gz WDFCVCFDOMYDFM-UHFFFAOYSA-N 0 3 241.331 0.640 20 0 BCADHN COc1ccc(NC(=O)[C@@H](CN)OC)cc1N ZINC000577601367 366013708 /nfs/dbraw/zinc/01/37/08/366013708.db2.gz CKLLYAWVZLCFOD-SNVBAGLBSA-N 0 3 239.275 0.190 20 0 BCADHN CN1CCC[C@H](NC(=O)N[C@H]2CCOC2)C1 ZINC000252700075 538099738 /nfs/dbraw/zinc/09/97/38/538099738.db2.gz XUJAUOLDRHSZOW-UWVGGRQHSA-N 0 3 227.308 0.169 20 0 BCADHN O=C1CC[C@H](CN2CCC3(CC2)OCCO3)N1 ZINC000302834126 350994841 /nfs/dbraw/zinc/99/48/41/350994841.db2.gz MYBOQYHCCUUVNI-SNVBAGLBSA-N 0 3 240.303 0.104 20 0 BCADHN COC1CC(C(=O)NCCOCCN(C)C)C1 ZINC000626374738 351018004 /nfs/dbraw/zinc/01/80/04/351018004.db2.gz IWERVIPNHZHTLB-UHFFFAOYSA-N 0 3 244.335 0.106 20 0 BCADHN N[C@@H](Cc1ccccc1)C(=O)N1CCC[NH2+]CC1 ZINC000035738381 358459085 /nfs/dbraw/zinc/45/90/85/358459085.db2.gz SWMMQNNWSMOUGR-ZDUSSCGKSA-N 0 3 247.342 0.378 20 0 BCADHN N[C@@H](Cc1ccccc1)C(=O)N1CCCNCC1 ZINC000035738381 358459089 /nfs/dbraw/zinc/45/90/89/358459089.db2.gz SWMMQNNWSMOUGR-ZDUSSCGKSA-N 0 3 247.342 0.378 20 0 BCADHN CN(C)c1ccncc1CNCc1cn[nH]n1 ZINC000623578497 363011209 /nfs/dbraw/zinc/01/12/09/363011209.db2.gz JZWOLLKYRCICNG-UHFFFAOYSA-N 0 3 232.291 0.556 20 0 BCADHN CN(C)c1ccncc1CNCc1c[nH]nn1 ZINC000623578497 363011212 /nfs/dbraw/zinc/01/12/12/363011212.db2.gz JZWOLLKYRCICNG-UHFFFAOYSA-N 0 3 232.291 0.556 20 0 BCADHN CCCNC(=O)CN[C@@H](COC)C(C)C ZINC000083399832 351232849 /nfs/dbraw/zinc/23/28/49/351232849.db2.gz FBZZSMADBQLZRO-JTQLQIEISA-N 0 3 216.325 0.773 20 0 BCADHN C[C@H](CO)[C@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000607236627 351239372 /nfs/dbraw/zinc/23/93/72/351239372.db2.gz YUGOPNCXIXXHGO-VWYCJHECSA-N 0 3 243.351 0.397 20 0 BCADHN CCOC(=O)[C@@H]1CCCCN(CCO)C1 ZINC000616656322 351202639 /nfs/dbraw/zinc/20/26/39/351202639.db2.gz VOELKLNXQWEASR-SNVBAGLBSA-N 0 3 215.293 0.644 20 0 BCADHN O=S1(=O)CCC[C@H](NC2CCC2)C1 ZINC000068940361 351297194 /nfs/dbraw/zinc/29/71/94/351297194.db2.gz FCKCDAZRIBFOKY-VIFPVBQESA-N 0 3 203.307 0.706 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H](C)C1(CO)CC1)N(C)C ZINC000617901919 351308063 /nfs/dbraw/zinc/30/80/63/351308063.db2.gz SATGZDZRMLVLDP-WDEREUQCSA-N 0 3 242.363 0.850 20 0 BCADHN C[C@@H]1CCCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000623791996 363020678 /nfs/dbraw/zinc/02/06/78/363020678.db2.gz CXGFFHGQDANTON-RQJHMYQMSA-N 0 3 222.296 0.109 20 0 BCADHN CN(C)CCCS(=O)(=O)NCc1ccco1 ZINC000631634989 351324189 /nfs/dbraw/zinc/32/41/89/351324189.db2.gz GQYXOMYHUJANSZ-UHFFFAOYSA-N 0 3 246.332 0.651 20 0 BCADHN C[C@@H]1CCCC[C@H]1Nc1nc(N)nc(N)n1 ZINC000623791995 363021124 /nfs/dbraw/zinc/02/11/24/363021124.db2.gz CXGFFHGQDANTON-RNFRBKRXSA-N 0 3 222.296 0.109 20 0 BCADHN COC(=O)C(C)(C)CNC(=O)[C@H](N)CC(C)C ZINC000237113325 351328110 /nfs/dbraw/zinc/32/81/10/351328110.db2.gz ABZFSXFZEVTGLZ-SECBINFHSA-N 0 3 244.335 0.675 20 0 BCADHN OC[C@@H]1CCCN1CCOC[C@H]1CCCO1 ZINC000607358563 351332320 /nfs/dbraw/zinc/33/23/20/351332320.db2.gz MTQAIVPMAVTQGD-NWDGAFQWSA-N 0 3 229.320 0.639 20 0 BCADHN CC[N@@H+]1CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000284036454 351384995 /nfs/dbraw/zinc/38/49/95/351384995.db2.gz PRXLZVXDMRHAPU-UHFFFAOYSA-N 0 3 249.314 0.955 20 0 BCADHN CC[N@H+]1CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000284036454 351385007 /nfs/dbraw/zinc/38/50/07/351385007.db2.gz PRXLZVXDMRHAPU-UHFFFAOYSA-N 0 3 249.314 0.955 20 0 BCADHN CCN(C)C(=O)CNCC1(O)CCCC1 ZINC000083466060 351385460 /nfs/dbraw/zinc/38/54/60/351385460.db2.gz FOQZWHLVHZLRCE-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN CC[C@@H](N[C@H](CCO)COC)c1cnn(C)c1 ZINC000268990652 351345025 /nfs/dbraw/zinc/34/50/25/351345025.db2.gz GUWXQVYBPGTTPQ-VXGBXAGGSA-N 0 3 241.335 0.858 20 0 BCADHN COC[C@H](C)N[C@@H](C)C(=O)NC(C)(C)C ZINC000034937676 351352122 /nfs/dbraw/zinc/35/21/22/351352122.db2.gz XIBGFDMFAMCZLE-IUCAKERBSA-N 0 3 216.325 0.914 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N[C@H](C)COC ZINC000034938809 351354408 /nfs/dbraw/zinc/35/44/08/351354408.db2.gz PIHGKXWGIMGWIT-NXEZZACHSA-N 0 3 216.325 0.868 20 0 BCADHN CCOC[C@H]1CCN([C@H]2CCCNC2=O)C1 ZINC000336663765 191134584 /nfs/dbraw/zinc/13/45/84/191134584.db2.gz DHAFSQJXDWJUFL-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H]1CCCC[C@@H]1NCc1nnnn1C ZINC000380130673 351363983 /nfs/dbraw/zinc/36/39/83/351363983.db2.gz SSWBDLKTSQFMRU-IUCAKERBSA-N 0 3 209.297 0.878 20 0 BCADHN Cn1ccc(CNC[C@H]2CCCS2(=O)=O)c1 ZINC000087970795 351440604 /nfs/dbraw/zinc/44/06/04/351440604.db2.gz CONZHZKRHAYHHB-LLVKDONJSA-N 0 3 242.344 0.692 20 0 BCADHN Cn1ccc(C(=O)N2CCNCC2(C)C)n1 ZINC000231913908 351460636 /nfs/dbraw/zinc/46/06/36/351460636.db2.gz WRKCNNWDOCSRTK-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2COC[C@@H]2O)CS1 ZINC000307157309 351508210 /nfs/dbraw/zinc/50/82/10/351508210.db2.gz PYRUQIAQSGVJRG-XAVMHZPKSA-N 0 3 203.307 0.230 20 0 BCADHN CSCCNC(=O)[C@H]1NCC1(C)C ZINC000388831655 363044768 /nfs/dbraw/zinc/04/47/68/363044768.db2.gz POQNRZHDQVACSH-SSDOTTSWSA-N 0 3 202.323 0.464 20 0 BCADHN CN(C[C@H]1CCCOC1)C(=O)C1(N)CCC1 ZINC000088051174 351539342 /nfs/dbraw/zinc/53/93/42/351539342.db2.gz UPHQOEAUVVPJOT-SNVBAGLBSA-N 0 3 226.320 0.753 20 0 BCADHN C[C@@]1(CNC(=O)C2(N)CCC2)CCCO1 ZINC000088051568 351540305 /nfs/dbraw/zinc/54/03/05/351540305.db2.gz USQSAHYOPRMVHA-JTQLQIEISA-N 0 3 212.293 0.553 20 0 BCADHN NC1(C(=O)NC[C@H]2CCCS2)CCC1 ZINC000088051584 351540851 /nfs/dbraw/zinc/54/08/51/351540851.db2.gz VZMSMIIRKQEXGN-MRVPVSSYSA-N 0 3 214.334 0.880 20 0 BCADHN NC1(C(=O)NCCCOCC2CC2)CCC1 ZINC000088050315 351541783 /nfs/dbraw/zinc/54/17/83/351541783.db2.gz ALXFFUWVIMHPIX-UHFFFAOYSA-N 0 3 226.320 0.801 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@@H](C)Cn1cccn1 ZINC000036999212 358465304 /nfs/dbraw/zinc/46/53/04/358465304.db2.gz ZFTPIESPMTXEFF-WDEREUQCSA-N 0 3 238.335 0.761 20 0 BCADHN CN(C)CCOCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000613284194 363051234 /nfs/dbraw/zinc/05/12/34/363051234.db2.gz FKRJBNDGEDXLIZ-GDNZZTSVSA-N 0 3 240.347 0.727 20 0 BCADHN CCCN(CCO)C(=O)CN1CC[C@@H](C)C1 ZINC000571654145 351596063 /nfs/dbraw/zinc/59/60/63/351596063.db2.gz MLLZIKROHCNETR-LLVKDONJSA-N 0 3 228.336 0.559 20 0 BCADHN CCN(CC)CC(=O)N(C)CCCCO ZINC000337575071 191138496 /nfs/dbraw/zinc/13/84/96/191138496.db2.gz VQPMTQZPYFFHSW-UHFFFAOYSA-N 0 3 216.325 0.559 20 0 BCADHN CC(C)n1cnc(C(=O)N2CCCNCC2)c1 ZINC000637803609 351639456 /nfs/dbraw/zinc/63/94/56/351639456.db2.gz KMAGKOZAUKYIQW-UHFFFAOYSA-N 0 3 236.319 0.900 20 0 BCADHN Cc1nccn1CC(=O)N1CCNC[C@@H]1C ZINC000637815444 351654862 /nfs/dbraw/zinc/65/48/62/351654862.db2.gz AWUUBTNKYHQCSU-VIFPVBQESA-N 0 3 222.292 0.012 20 0 BCADHN O=C(NC[C@H]1CCCC[NH2+]1)c1cc(=O)[n-]cn1 ZINC000637815469 351654981 /nfs/dbraw/zinc/65/49/81/351654981.db2.gz HFJCPWKCYWEJCF-MRVPVSSYSA-N 0 3 236.275 0.054 20 0 BCADHN O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(=O)[n-]cn1 ZINC000637815470 351655043 /nfs/dbraw/zinc/65/50/43/351655043.db2.gz HFJCPWKCYWEJCF-QMMMGPOBSA-N 0 3 236.275 0.054 20 0 BCADHN C[C@H]1CNCCN1C(=O)CN(C)CC(C)(C)C ZINC000637817097 351658531 /nfs/dbraw/zinc/65/85/31/351658531.db2.gz POLABZDAGPITNX-NSHDSACASA-N 0 3 241.379 0.785 20 0 BCADHN Cc1cncn1CC(=O)N1CCNC[C@@H]1C ZINC000637818926 351658605 /nfs/dbraw/zinc/65/86/05/351658605.db2.gz NNYCSBYUXOCZEW-JTQLQIEISA-N 0 3 222.292 0.012 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1CCNC[C@@H]1C ZINC000637819303 351659547 /nfs/dbraw/zinc/65/95/47/351659547.db2.gz SBUTZDLJUOFOJG-QMMMGPOBSA-N 0 3 222.292 0.081 20 0 BCADHN CC(C)CN(CCc1ccnn1C)CC(N)=O ZINC000276317880 351615856 /nfs/dbraw/zinc/61/58/56/351615856.db2.gz NVJCBGFUAWZARQ-UHFFFAOYSA-N 0 3 238.335 0.406 20 0 BCADHN CCO[C@H](C(=O)N1CCCNCC1)C1CC1 ZINC000637801342 351631716 /nfs/dbraw/zinc/63/17/16/351631716.db2.gz JEGGGIYSJZHFTM-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN CCN1CCN(C[C@@]2(OC)CCOC2)CC1 ZINC000637830675 351680066 /nfs/dbraw/zinc/68/00/66/351680066.db2.gz CHHWNPKZKGAFOM-LBPRGKRZSA-N 0 3 228.336 0.429 20 0 BCADHN CC(C)[C@@H]([NH3+])CNC(=O)c1cc(F)c[n-]c1=O ZINC000637849237 351706677 /nfs/dbraw/zinc/70/66/77/351706677.db2.gz NROICHDJSFTQES-VIFPVBQESA-N 0 3 241.266 0.639 20 0 BCADHN COC[C@H](CNCc1cnc(C)n1C)OC ZINC000577747036 366052138 /nfs/dbraw/zinc/05/21/38/366052138.db2.gz PBXUMRPVUZPYDX-NSHDSACASA-N 0 3 227.308 0.480 20 0 BCADHN CN(C(=O)c1cc(F)c[n-]c1=O)[C@@H]1CC[NH2+]C1 ZINC000637837286 351691374 /nfs/dbraw/zinc/69/13/74/351691374.db2.gz CUMSPBRWOPNEPK-MRVPVSSYSA-N 0 3 239.250 0.360 20 0 BCADHN CCN1CCN(C[C@@H](C)CO)C[C@H]1C ZINC000252727124 538101037 /nfs/dbraw/zinc/10/10/37/538101037.db2.gz AMMUEXRDXCWROH-GHMZBOCLSA-N 0 3 200.326 0.641 20 0 BCADHN OCCCN1CCC[C@@H](NCC2(F)CC2)C1 ZINC000577705746 366039880 /nfs/dbraw/zinc/03/98/80/366039880.db2.gz ZARYIGOFHYACRH-LLVKDONJSA-N 0 3 230.327 0.925 20 0 BCADHN Cn1nccc1[C@H](CO)NCC1(O)CCCC1 ZINC000577730156 366045822 /nfs/dbraw/zinc/04/58/22/366045822.db2.gz JZOXQCCDVNKGKK-JTQLQIEISA-N 0 3 239.319 0.348 20 0 BCADHN O=C(NC[C@H]1CCC[NH2+]1)c1cc(F)c[n-]c1=O ZINC000637828321 351674201 /nfs/dbraw/zinc/67/42/01/351674201.db2.gz YMZHQLQNZZWCOT-MRVPVSSYSA-N 0 3 239.250 0.408 20 0 BCADHN CC[C@H](N)C(=O)Nc1ncccc1OC ZINC000577734234 366046750 /nfs/dbraw/zinc/04/67/50/366046750.db2.gz WSLRFIDHYUDYFX-ZETCQYMHSA-N 0 3 209.249 0.766 20 0 BCADHN CC[C@@H](NC(C)=O)C(=O)N1CCNCC1(C)C ZINC000637856592 351717043 /nfs/dbraw/zinc/71/70/43/351717043.db2.gz FDRNALBAGXWHGS-SNVBAGLBSA-N 0 3 241.335 0.112 20 0 BCADHN Cc1nc[nH]c1C(=O)N1CCNCC1(C)C ZINC000637858161 351719291 /nfs/dbraw/zinc/71/92/91/351719291.db2.gz ZPIUMDWHXDHOGW-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000637862972 351724296 /nfs/dbraw/zinc/72/42/96/351724296.db2.gz SWERXZDNINKLPZ-QMMMGPOBSA-N 0 3 236.275 0.006 20 0 BCADHN CO[C@H]1CN[C@](C)(C(=O)Nc2nncs2)C1 ZINC000637869496 351730756 /nfs/dbraw/zinc/73/07/56/351730756.db2.gz WQRZBYQFSHUAHO-MUWHJKNJSA-N 0 3 242.304 0.244 20 0 BCADHN CCN[C@@H](C)C(=O)NCCCN1CCCC1=O ZINC000637871704 351733733 /nfs/dbraw/zinc/73/37/33/351733733.db2.gz UXSIKBMUMHSGGQ-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000637870694 351736528 /nfs/dbraw/zinc/73/65/28/351736528.db2.gz IKWMQUHBMPDSRM-ZJUUUORDSA-N 0 3 224.235 0.880 20 0 BCADHN COCCCNC(=O)[C@]1(COC)CCCCN1 ZINC000637870790 351736645 /nfs/dbraw/zinc/73/66/45/351736645.db2.gz WPIMHQWYVAXIMV-GFCCVEGCSA-N 0 3 244.335 0.298 20 0 BCADHN CN(CCC[C@H]1CCO1)CC(=O)NC1CC1 ZINC000637874901 351737785 /nfs/dbraw/zinc/73/77/85/351737785.db2.gz QBADLCOLVFMMBK-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN Cc1ccc(CNC(=O)[C@@H]2OCC[C@@H]2N)cc1 ZINC000637874314 351738132 /nfs/dbraw/zinc/73/81/32/351738132.db2.gz AJPPEDCTYKQTEM-NWDGAFQWSA-N 0 3 234.299 0.727 20 0 BCADHN Cc1cnc(NC(=O)[C@@H]2OCC[C@@H]2N)s1 ZINC000637876177 351741736 /nfs/dbraw/zinc/74/17/36/351741736.db2.gz OVQNCSPKSBLGMI-NKWVEPMBSA-N 0 3 227.289 0.506 20 0 BCADHN C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000637876414 351741782 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CCN[C@@H](C)C(=O)N[C@@H]1CCSC1 ZINC000638005236 351879408 /nfs/dbraw/zinc/87/94/08/351879408.db2.gz MMUAASHFQWGNGY-JGVFFNPUSA-N 0 3 202.323 0.606 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@H](O)CC(C)(C)C ZINC000638006922 351883518 /nfs/dbraw/zinc/88/35/18/351883518.db2.gz MNSZADHBOTUSSZ-ZJUUUORDSA-N 0 3 230.352 0.898 20 0 BCADHN CCN[C@H](C)C(=O)N1CCC[C@@H](COC)C1 ZINC000637991143 351865455 /nfs/dbraw/zinc/86/54/55/351865455.db2.gz KEZGSFZBMMHIIU-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CN(Cc1cnc(N)nc1N)C(C1CC1)C1CC1 ZINC000637989916 351865993 /nfs/dbraw/zinc/86/59/93/351865993.db2.gz RZAKDVIRZCQQJU-UHFFFAOYSA-N 0 3 247.346 0.922 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1cc(CC)no1 ZINC000637993578 351867526 /nfs/dbraw/zinc/86/75/26/351867526.db2.gz ZXLMSLQQKFOQOA-QMMMGPOBSA-N 0 3 225.292 0.851 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N[C@@H]1CCN(C)C1=O ZINC000637992092 351868267 /nfs/dbraw/zinc/86/82/67/351868267.db2.gz QOSKMWPDGYXRDI-NXEZZACHSA-N 0 3 241.335 0.097 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCSC[C@H]1C ZINC000637999957 351874826 /nfs/dbraw/zinc/87/48/26/351874826.db2.gz LVGPXWYPCNYKQL-BDAKNGLRSA-N 0 3 216.350 0.948 20 0 BCADHN CCN[C@H](C)C(=O)N1CCSC[C@@H]1C ZINC000637999959 351874932 /nfs/dbraw/zinc/87/49/32/351874932.db2.gz LVGPXWYPCNYKQL-DTWKUNHWSA-N 0 3 216.350 0.948 20 0 BCADHN OC[C@@H]1CCN(Cc2c[nH]c3ncncc23)C1 ZINC000637997438 351875749 /nfs/dbraw/zinc/87/57/49/351875749.db2.gz RYZYZQASBONOBD-SECBINFHSA-N 0 3 232.287 0.724 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@H]1CCCS1 ZINC000638005867 351879122 /nfs/dbraw/zinc/87/91/22/351879122.db2.gz ZTAASAJKLRFOSB-RKDXNWHRSA-N 0 3 216.350 0.996 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1C[C@@H](OC)C1(C)C ZINC000638039216 351920431 /nfs/dbraw/zinc/92/04/31/351920431.db2.gz SGAHVAAAUYTTJF-KXUCPTDWSA-N 0 3 228.336 0.914 20 0 BCADHN CCN[C@H](C)C(=O)Nc1cc(C)cn(C)c1=O ZINC000638045691 351925213 /nfs/dbraw/zinc/92/52/13/351925213.db2.gz POFKKBVNDXHVPB-SECBINFHSA-N 0 3 237.303 0.630 20 0 BCADHN CCN[C@H](C)C(=O)N(C)Cc1cnn(C)c1 ZINC000638059813 351933523 /nfs/dbraw/zinc/93/35/23/351933523.db2.gz XODRDADDUJPBEF-SECBINFHSA-N 0 3 224.308 0.377 20 0 BCADHN Nc1c(F)cccc1CN(CCO)CCCO ZINC000638069708 351941762 /nfs/dbraw/zinc/94/17/62/351941762.db2.gz MAXWNAHNHWIQSJ-UHFFFAOYSA-N 0 3 242.294 0.585 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)Cn1ccnc1 ZINC000638071921 351943900 /nfs/dbraw/zinc/94/39/00/351943900.db2.gz CDWDOQHKSMRNFV-NXEZZACHSA-N 0 3 224.308 0.386 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N(C)CC[C@@H](C)O ZINC000638007748 351884361 /nfs/dbraw/zinc/88/43/61/351884361.db2.gz OTIQSXPYQZBXLH-MNOVXSKESA-N 0 3 230.352 0.979 20 0 BCADHN CCN(C(=O)CN1CCNCC1)C1CCC1 ZINC000638008602 351885740 /nfs/dbraw/zinc/88/57/40/351885740.db2.gz CAAXNRSOPBYSPY-UHFFFAOYSA-N 0 3 225.336 0.293 20 0 BCADHN CCN[C@H](C)C(=O)N(C)Cc1ccon1 ZINC000638010905 351887065 /nfs/dbraw/zinc/88/70/65/351887065.db2.gz HALXQHNWGGRXAI-MRVPVSSYSA-N 0 3 211.265 0.631 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCCCC1CC1 ZINC000638010925 351887069 /nfs/dbraw/zinc/88/70/69/351887069.db2.gz HJJLPQGUHFBPQO-ZJUUUORDSA-N 0 3 212.293 0.409 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1cnn(C)c1C ZINC000638011041 351887659 /nfs/dbraw/zinc/88/76/59/351887659.db2.gz TWBHKCPOVWDBSG-ZETCQYMHSA-N 0 3 210.281 0.665 20 0 BCADHN CCN[C@H](C)C(=O)NC(C)(C)c1cnn(C)c1 ZINC000638015457 351892603 /nfs/dbraw/zinc/89/26/03/351892603.db2.gz QTPFQCOUMFEGQW-SECBINFHSA-N 0 3 238.335 0.769 20 0 BCADHN CCN[C@H](C)C(=O)NCCC[C@@H](O)CC ZINC000638017985 351893316 /nfs/dbraw/zinc/89/33/16/351893316.db2.gz KXTXPNUXGTWHMQ-ZJUUUORDSA-N 0 3 216.325 0.652 20 0 BCADHN COCCN(CCO)C[C@@](C)(OC)C1CC1 ZINC000638019869 351896477 /nfs/dbraw/zinc/89/64/77/351896477.db2.gz CMNWJXJFTMUXAK-GFCCVEGCSA-N 0 3 231.336 0.742 20 0 BCADHN C[C@@H](O)CC(C)(C)CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638018709 351897051 /nfs/dbraw/zinc/89/70/51/351897051.db2.gz SGTVMHULRDTEBF-KXUCPTDWSA-N 0 3 244.335 0.016 20 0 BCADHN CCC[C@H](CN(CCO)CCOC)OC ZINC000638019456 351898080 /nfs/dbraw/zinc/89/80/80/351898080.db2.gz ANIDJEKYASKUAQ-LLVKDONJSA-N 0 3 219.325 0.742 20 0 BCADHN CC(C)CC[C@@H]([NH3+])C(=O)NCCc1nnc[n-]1 ZINC000638021310 351900613 /nfs/dbraw/zinc/90/06/13/351900613.db2.gz KFTWKXSZZLGCJI-SECBINFHSA-N 0 3 239.323 0.227 20 0 BCADHN CN(CC(C)(C)N1CCOCC1)[C@H]1CCOC1 ZINC000638028073 351907330 /nfs/dbraw/zinc/90/73/30/351907330.db2.gz FMRFLRDEUFGDSA-LBPRGKRZSA-N 0 3 242.363 0.818 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)CC)C1 ZINC000638029985 351910731 /nfs/dbraw/zinc/91/07/31/351910731.db2.gz ANSWGYGCWIVWSH-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1CCN(C(=O)CC)C1 ZINC000638029981 351911176 /nfs/dbraw/zinc/91/11/76/351911176.db2.gz ANSWGYGCWIVWSH-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@H](OC)C(C)C ZINC000638032558 351911604 /nfs/dbraw/zinc/91/16/04/351911604.db2.gz OHRRKHSXLQPXMM-UWVGGRQHSA-N 0 3 216.325 0.772 20 0 BCADHN CCN[C@H](C)C(=O)NCCCO[C@@H]1CCOC1 ZINC000638033520 351914052 /nfs/dbraw/zinc/91/40/52/351914052.db2.gz LFCBNTNQENOCSR-GHMZBOCLSA-N 0 3 244.335 0.296 20 0 BCADHN CCN[C@@H](C)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000638033679 351914148 /nfs/dbraw/zinc/91/41/48/351914148.db2.gz XQDQOSQJTLPWGY-CMPLNLGQSA-N 0 3 226.320 0.623 20 0 BCADHN CCN[C@@H](C)C(=O)NCCCO[C@@H]1CCOC1 ZINC000638033523 351914221 /nfs/dbraw/zinc/91/42/21/351914221.db2.gz LFCBNTNQENOCSR-WDEREUQCSA-N 0 3 244.335 0.296 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@@]2(N)CC2(F)F)C1 ZINC000638083627 351958501 /nfs/dbraw/zinc/95/85/01/351958501.db2.gz ARFJSLCXPCZLIR-SCZZXKLOSA-N 0 3 247.289 0.181 20 0 BCADHN CCC[NH2+]CCNC(=O)c1cc(F)c[n-]c1=O ZINC000638146903 352011155 /nfs/dbraw/zinc/01/11/55/352011155.db2.gz QHXIZLQEQWODEG-UHFFFAOYSA-N 0 3 241.266 0.656 20 0 BCADHN CCN[C@H](C)C(=O)N1CCN(CC(F)F)CC1 ZINC000638084699 351962725 /nfs/dbraw/zinc/96/27/25/351962725.db2.gz GSLKCDWUWXSLJL-SECBINFHSA-N 0 3 249.305 0.394 20 0 BCADHN CN(Cc1cscn1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638086302 351963767 /nfs/dbraw/zinc/96/37/67/351963767.db2.gz XVHBWQBQVSAXFV-DTWKUNHWSA-N 0 3 241.316 0.218 20 0 BCADHN Nc1ncc(CN2C[C@@H]3CCC[C@H]3C2)c(N)n1 ZINC000638086820 351964224 /nfs/dbraw/zinc/96/42/24/351964224.db2.gz JWQYAWRRWJKIMU-IUCAKERBSA-N 0 3 233.319 0.534 20 0 BCADHN CC[C@@H](C)[C@@H](CN1C[C@@H](O)[C@@H](O)C1)OC ZINC000638094533 351974586 /nfs/dbraw/zinc/97/45/86/351974586.db2.gz IXGQDJCNCOMJPD-CHWFTXMASA-N 0 3 217.309 0.085 20 0 BCADHN Cc1ncsc1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638101490 351980729 /nfs/dbraw/zinc/98/07/29/351980729.db2.gz DOLWPDBBZTZWFK-IONNQARKSA-N 0 3 241.316 0.184 20 0 BCADHN CCN[C@H](C)C(=O)NCc1nccn1C ZINC000638102606 351981413 /nfs/dbraw/zinc/98/14/13/351981413.db2.gz JTMQPYZZJHYAGL-MRVPVSSYSA-N 0 3 210.281 0.034 20 0 BCADHN Cc1ncc(CNCCCC(=O)NC2CC2)cn1 ZINC000339287310 191144676 /nfs/dbraw/zinc/14/46/76/191144676.db2.gz QGSKBZVOCPEPBN-UHFFFAOYSA-N 0 3 248.330 0.933 20 0 BCADHN C[C@@H]1C[C@@H](C)N(Cc2cnc(N)nc2N)C1 ZINC000638112326 351989560 /nfs/dbraw/zinc/98/95/60/351989560.db2.gz YDOBEXIYZJXJGG-HTQZYQBOSA-N 0 3 221.308 0.532 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)Cc1cn[nH]c1 ZINC000638117122 351991340 /nfs/dbraw/zinc/99/13/40/351991340.db2.gz RZBDDXRHEITRAE-QMMMGPOBSA-N 0 3 210.281 0.366 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NCc1ncc[nH]1 ZINC000638115340 351991354 /nfs/dbraw/zinc/99/13/54/351991354.db2.gz QKXDRHDGNYCVEW-SECBINFHSA-N 0 3 224.308 0.789 20 0 BCADHN C[C@H]1SCC[C@@H]1NC(=O)C1(N)CC1 ZINC000307319109 351991611 /nfs/dbraw/zinc/99/16/11/351991611.db2.gz RVMYBQZZDUDLSQ-RQJHMYQMSA-N 0 3 200.307 0.488 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCN(C)c2ncccc21 ZINC000638116804 351991804 /nfs/dbraw/zinc/99/18/04/351991804.db2.gz GUKXSPWLIIWOEL-JTQLQIEISA-N 0 3 248.330 0.862 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)c1cnn(C)c1 ZINC000638122762 351996542 /nfs/dbraw/zinc/99/65/42/351996542.db2.gz KYNBZGFXLNXYQR-QMMMGPOBSA-N 0 3 210.281 0.381 20 0 BCADHN Nc1ncc(CN2CC[C@@H](C3CC3)C2)c(N)n1 ZINC000638131410 352001921 /nfs/dbraw/zinc/00/19/21/352001921.db2.gz BPMONSUQZLSDJW-SECBINFHSA-N 0 3 233.319 0.534 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638138554 352003014 /nfs/dbraw/zinc/00/30/14/352003014.db2.gz GYRIWDFBQPCUOZ-SECBINFHSA-N 0 3 248.286 0.149 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1N)c1ccncc1 ZINC000638134859 352003033 /nfs/dbraw/zinc/00/30/33/352003033.db2.gz QSHFWFDIQRDSID-ZMLRMANQSA-N 0 3 249.314 0.418 20 0 BCADHN NC(=O)C[C@H]1CCCN(Cc2ccc(=O)[nH]c2)C1 ZINC000638137645 352003643 /nfs/dbraw/zinc/00/36/43/352003643.db2.gz XSCGBXGEBKCRRR-SNVBAGLBSA-N 0 3 249.314 0.875 20 0 BCADHN CC(C)(N)C(=O)NCCCO[C@@H]1CCOC1 ZINC000236790818 191144912 /nfs/dbraw/zinc/14/49/12/191144912.db2.gz VMKGAXAGMSUVEC-SECBINFHSA-N 0 3 230.308 0.036 20 0 BCADHN CCC[C@@H](CN1CC[C@H](NC(N)=O)C1)OC ZINC000638179996 352044303 /nfs/dbraw/zinc/04/43/03/352044303.db2.gz GAFOVEHODPWTQN-UWVGGRQHSA-N 0 3 229.324 0.544 20 0 BCADHN NC(=O)N[C@@H]1CCN(CCC[C@@H]2CCO2)C1 ZINC000638181008 352046798 /nfs/dbraw/zinc/04/67/98/352046798.db2.gz IURCSCAJJLCQDG-NXEZZACHSA-N 0 3 227.308 0.298 20 0 BCADHN CC[C@@](C)(CN1CC[C@@H](NC(N)=O)C1)OC ZINC000638182486 352049356 /nfs/dbraw/zinc/04/93/56/352049356.db2.gz NPLGGPIWBPBQQQ-KOLCDFICSA-N 0 3 229.324 0.544 20 0 BCADHN O=C(N[C@@H]1CCC[NH2+]CC1)c1cc(=O)[n-]cn1 ZINC000638194406 352057162 /nfs/dbraw/zinc/05/71/62/352057162.db2.gz ADQXRRJJJLQQDD-MRVPVSSYSA-N 0 3 236.275 0.054 20 0 BCADHN Cc1nc[nH]c1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000638204185 352065715 /nfs/dbraw/zinc/06/57/15/352065715.db2.gz JOQBKDZUOIONFZ-APPZFPTMSA-N 0 3 222.292 0.541 20 0 BCADHN C[C@H]1NCCN(C(=O)c2coc(CO)c2)[C@H]1C ZINC000638206069 352068565 /nfs/dbraw/zinc/06/85/65/352068565.db2.gz SVXLUZGDVUIJOB-BDAKNGLRSA-N 0 3 238.287 0.594 20 0 BCADHN C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)[C@H](C)CN1 ZINC000638157305 352021273 /nfs/dbraw/zinc/02/12/73/352021273.db2.gz LMAVQXLRKMJCFV-HTQZYQBOSA-N 0 3 236.275 0.005 20 0 BCADHN C[C@@H]1CN(C(=O)c2cc(=O)[nH]cn2)[C@H](C)CN1 ZINC000638157305 352021274 /nfs/dbraw/zinc/02/12/74/352021274.db2.gz LMAVQXLRKMJCFV-HTQZYQBOSA-N 0 3 236.275 0.005 20 0 BCADHN c1nc(CN[C@@H]2COC[C@@H]2C2CC2)c[nH]1 ZINC000725270219 538101919 /nfs/dbraw/zinc/10/19/19/538101919.db2.gz YWLADRJBCFNIEM-GHMZBOCLSA-N 0 3 207.277 0.924 20 0 BCADHN c1ncc(CN[C@@H]2COC[C@@H]2C2CC2)[nH]1 ZINC000725270219 538101921 /nfs/dbraw/zinc/10/19/21/538101921.db2.gz YWLADRJBCFNIEM-GHMZBOCLSA-N 0 3 207.277 0.924 20 0 BCADHN CN(C(=O)[C@@]1(N)CC1(F)F)C1CCN(C)CC1 ZINC000638170377 352034317 /nfs/dbraw/zinc/03/43/17/352034317.db2.gz OIMKYSRMGXMLNP-JTQLQIEISA-N 0 3 247.289 0.276 20 0 BCADHN CCN[C@H](C)C(=O)N(C)Cc1noc(C)n1 ZINC000638170229 352034422 /nfs/dbraw/zinc/03/44/22/352034422.db2.gz IGIZLMOJLPGVST-SSDOTTSWSA-N 0 3 226.280 0.334 20 0 BCADHN CN(C(=O)[C@]1(N)CC1(F)F)C1CCN(C)CC1 ZINC000638170378 352034690 /nfs/dbraw/zinc/03/46/90/352034690.db2.gz OIMKYSRMGXMLNP-SNVBAGLBSA-N 0 3 247.289 0.276 20 0 BCADHN CC[C@@H]1CCN(Cc2cnc(N)nc2N)C1 ZINC000638170987 352038388 /nfs/dbraw/zinc/03/83/88/352038388.db2.gz NQFAYYFMYJEYCC-MRVPVSSYSA-N 0 3 221.308 0.534 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@]1(C)CCOC1 ZINC000638172394 352039468 /nfs/dbraw/zinc/03/94/68/352039468.db2.gz WKGJQKSKYGKIQC-WCBMZHEXSA-N 0 3 200.282 0.280 20 0 BCADHN CCN[C@H](C)C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000638285915 352121205 /nfs/dbraw/zinc/12/12/05/352121205.db2.gz ZKHLFVYWVPCKFY-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1CCCOCC1 ZINC000638288505 352122944 /nfs/dbraw/zinc/12/29/44/352122944.db2.gz RYEZHMZITSJBIF-NXEZZACHSA-N 0 3 214.309 0.670 20 0 BCADHN CCN[C@H](C)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000638309420 352137012 /nfs/dbraw/zinc/13/70/12/352137012.db2.gz ZFICABQECCXFDZ-VWYCJHECSA-N 0 3 228.336 0.604 20 0 BCADHN CCC[C@@H]1C(=O)NCCN1C(=O)[C@H](C)NCC ZINC000638291649 352126990 /nfs/dbraw/zinc/12/69/90/352126990.db2.gz RXKHTUSGEHFMDH-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN C[C@H](O)CNCc1cc2c(cn1)OCCO2 ZINC000638299042 352131307 /nfs/dbraw/zinc/13/13/07/352131307.db2.gz LOCQWXNCGSEOQU-QMMMGPOBSA-N 0 3 224.260 0.323 20 0 BCADHN CC[NH2+][C@@H](C)C(=O)NCc1nc2cccnc2[n-]1 ZINC000638300030 352132224 /nfs/dbraw/zinc/13/22/24/352132224.db2.gz ZJAXBWAKDAXQOZ-QMMMGPOBSA-N 0 3 247.302 0.572 20 0 BCADHN C[C@H](CNC(=O)CCc1ccn(C)n1)N(C)C ZINC000429888114 191154484 /nfs/dbraw/zinc/15/44/84/191154484.db2.gz RORGYCRYLFDFAL-SNVBAGLBSA-N 0 3 238.335 0.419 20 0 BCADHN CCC(C)(C)[C@H](O)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000638247225 352093240 /nfs/dbraw/zinc/09/32/40/352093240.db2.gz IJHBKHORHHXHQN-LPEHRKFASA-N 0 3 246.326 0.600 20 0 BCADHN CCc1cc(N2CCN[C@H](C)C2)n2ncnc2n1 ZINC000420198748 192174228 /nfs/dbraw/zinc/17/42/28/192174228.db2.gz MDMTYTDTGSPUAG-SECBINFHSA-N 0 3 246.318 0.485 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NC1Cc2ccccc2C1 ZINC000638273801 352111751 /nfs/dbraw/zinc/11/17/51/352111751.db2.gz KXXSWDHITYJIET-OLZOCXBDSA-N 0 3 246.310 0.386 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCc2n[nH]cc2C1 ZINC000638276005 352113163 /nfs/dbraw/zinc/11/31/63/352113163.db2.gz UZJYGKDAYBMCQU-QMMMGPOBSA-N 0 3 222.292 0.292 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1noc(C2CC2)n1 ZINC000638278580 352114559 /nfs/dbraw/zinc/11/45/59/352114559.db2.gz JHXSOLFFNGHUPQ-ZETCQYMHSA-N 0 3 238.291 0.561 20 0 BCADHN CCN[C@H](C)C(=O)Nc1cnc(CC)nc1 ZINC000638278626 352114776 /nfs/dbraw/zinc/11/47/76/352114776.db2.gz SSTVEUTYSPGYGX-MRVPVSSYSA-N 0 3 222.292 0.976 20 0 BCADHN Cc1cc(N2CCCN(C)CC2)n2ncnc2n1 ZINC000032533610 352136566 /nfs/dbraw/zinc/13/65/66/352136566.db2.gz UDERGOKAWBZSKW-UHFFFAOYSA-N 0 3 246.318 0.575 20 0 BCADHN Cc1nccn1C[C@@H](C)CNCc1ncnn1C ZINC000638336121 352154603 /nfs/dbraw/zinc/15/46/03/352154603.db2.gz YWPMHHXDDCOSNQ-JTQLQIEISA-N 0 3 248.334 0.746 20 0 BCADHN CNc1ccccc1C(=O)NC[C@H]1CNCCO1 ZINC000638337025 352155593 /nfs/dbraw/zinc/15/55/93/352155593.db2.gz BIKNUESRVSVVLF-SNVBAGLBSA-N 0 3 249.314 0.447 20 0 BCADHN CNc1cccc(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000638338271 352157729 /nfs/dbraw/zinc/15/77/29/352157729.db2.gz UVJKCPUJAYTVIE-LBPRGKRZSA-N 0 3 249.314 0.447 20 0 BCADHN CCn1ncnc1CNC[C@@H](C1CC1)N(C)C ZINC000638392486 352197944 /nfs/dbraw/zinc/19/79/44/352197944.db2.gz ZSYSSAHERWTWNL-NSHDSACASA-N 0 3 237.351 0.728 20 0 BCADHN O=C1NCCCC[C@H]1NC1CC(n2cccn2)C1 ZINC000638353561 352167597 /nfs/dbraw/zinc/16/75/97/352167597.db2.gz WYRINICOZFXVIY-HTAVTVPLSA-N 0 3 248.330 0.845 20 0 BCADHN O=C(CN1CCNCC1)N[C@@H]1C[C@H]1C1CCC1 ZINC000638367136 352178151 /nfs/dbraw/zinc/17/81/51/352178151.db2.gz MHNOGKZZUCRMNU-NWDGAFQWSA-N 0 3 237.347 0.196 20 0 BCADHN CCN[C@H](C)C(=O)NCCOCC1CCC1 ZINC000638372406 352182367 /nfs/dbraw/zinc/18/23/67/352182367.db2.gz UUTAOJCFNOFFLZ-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1OCC[C@@H]1N)CC(F)F ZINC000638371229 352184232 /nfs/dbraw/zinc/18/42/32/352184232.db2.gz JWIIQQCTOKAVNW-ACLDMZEESA-N 0 3 236.262 0.510 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1N)CC(F)F ZINC000638371234 352184484 /nfs/dbraw/zinc/18/44/84/352184484.db2.gz JWIIQQCTOKAVNW-BKPPORCPSA-N 0 3 236.262 0.510 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N1CCCCN1 ZINC000638382756 352192673 /nfs/dbraw/zinc/19/26/73/352192673.db2.gz ZFERXHZBHVHAFX-SNVBAGLBSA-N 0 3 213.325 0.877 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCC([C@@H](C)CO)CC1 ZINC000638389029 352195908 /nfs/dbraw/zinc/19/59/08/352195908.db2.gz BMPRYMRYZUGUME-QWRGUYRKSA-N 0 3 242.363 0.851 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)CCNC(=O)C(C)C ZINC000638311550 352138105 /nfs/dbraw/zinc/13/81/05/352138105.db2.gz MSRHNUVFOXRHDX-JTQLQIEISA-N 0 3 243.351 0.215 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1(C)C ZINC000638317787 352142399 /nfs/dbraw/zinc/14/23/99/352142399.db2.gz RVWXHMBEOBVKJA-OUAUKWLOSA-N 0 3 240.347 0.997 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@H](O)C(C)(C)C ZINC000340283207 352148666 /nfs/dbraw/zinc/14/86/66/352148666.db2.gz YLIQSNMEXGZIMQ-JTQLQIEISA-N 0 3 230.352 0.837 20 0 BCADHN C[C@@H](C[C@@H]1CCCC(=O)N1)NCc1cc[nH]n1 ZINC000638329425 352150046 /nfs/dbraw/zinc/15/00/46/352150046.db2.gz QNFUHNZLSLKBKS-UWVGGRQHSA-N 0 3 236.319 0.947 20 0 BCADHN Cc1conc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000638429690 352237635 /nfs/dbraw/zinc/23/76/35/352237635.db2.gz DPNCWKWIXBHYAK-HTQZYQBOSA-N 0 3 227.239 0.494 20 0 BCADHN CCC(C)(C)[C@H](O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000638430163 352237900 /nfs/dbraw/zinc/23/79/00/352237900.db2.gz KAWFPCZDJNNAML-OPRDCNLKSA-N 0 3 246.326 0.681 20 0 BCADHN CCN[C@H](C)C(=O)N1CCc2nccnc2C1 ZINC000638430287 352237907 /nfs/dbraw/zinc/23/79/07/352237907.db2.gz LPNRXVJFVGMIPJ-SECBINFHSA-N 0 3 234.303 0.359 20 0 BCADHN CCC(C)(C)[C@@H](O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000638430162 352237954 /nfs/dbraw/zinc/23/79/54/352237954.db2.gz KAWFPCZDJNNAML-BBBLOLIVSA-N 0 3 246.326 0.681 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCCCc1ccco1 ZINC000638431774 352238435 /nfs/dbraw/zinc/23/84/35/352238435.db2.gz WCZSMHNLTCFSND-MNOVXSKESA-N 0 3 238.287 0.445 20 0 BCADHN CC[C@H](C)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638405270 352212155 /nfs/dbraw/zinc/21/21/55/352212155.db2.gz BXXATDBYKPRNCG-LPEHRKFASA-N 0 3 214.309 0.655 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)[C@H](C)C1 ZINC000638411300 352220441 /nfs/dbraw/zinc/22/04/41/352220441.db2.gz MWIZGPPLVXGBHZ-CHWFTXMASA-N 0 3 226.320 0.750 20 0 BCADHN C[C@H]1CCC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2N)O1 ZINC000638415963 352223942 /nfs/dbraw/zinc/22/39/42/352223942.db2.gz RRJLMBASUSMAAC-XWLWVQCSSA-N 0 3 242.319 0.176 20 0 BCADHN O=C1C[C@@H](NCc2ccccc2CO)CCCN1 ZINC000638416923 352225661 /nfs/dbraw/zinc/22/56/61/352225661.db2.gz VOEZREPZVCIJMX-ZDUSSCGKSA-N 0 3 248.326 0.937 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)CC1=CCCOC1 ZINC000638416345 352229183 /nfs/dbraw/zinc/22/91/83/352229183.db2.gz RLXRXIBILSXAAN-JTQLQIEISA-N 0 3 226.320 0.790 20 0 BCADHN COC(=O)CC1(CN2CCCN(C)CC2)CC1 ZINC000411160953 191162575 /nfs/dbraw/zinc/16/25/75/191162575.db2.gz XTJSNZVZPLNQFT-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NC1CC2(CCC2)C1 ZINC000638425983 352233751 /nfs/dbraw/zinc/23/37/51/352233751.db2.gz PYLXWHKOTURVSA-ZJUUUORDSA-N 0 3 224.304 0.552 20 0 BCADHN CCC[C@H](NC(=O)[C@H](N)CCC(C)C)C(N)=O ZINC000638446703 352256290 /nfs/dbraw/zinc/25/62/90/352256290.db2.gz PRSLQIGBPZTEHX-ZJUUUORDSA-N 0 3 243.351 0.520 20 0 BCADHN CCCN[C@H](C)C(=O)N[C@@H](CCC)C(N)=O ZINC000638446892 352256956 /nfs/dbraw/zinc/25/69/56/352256956.db2.gz VJDMAANHJYXZRH-BDAKNGLRSA-N 0 3 229.324 0.145 20 0 BCADHN CCCN[C@@H](C)C(=O)N[C@@H](CCC)C(N)=O ZINC000638446893 352257151 /nfs/dbraw/zinc/25/71/51/352257151.db2.gz VJDMAANHJYXZRH-IUCAKERBSA-N 0 3 229.324 0.145 20 0 BCADHN CC[C@H](N)C(=O)N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000638451088 352257790 /nfs/dbraw/zinc/25/77/90/352257790.db2.gz KIGQQOVBQRLEJC-UWVGGRQHSA-N 0 3 241.335 0.239 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1cnnn1CC ZINC000638450875 352258054 /nfs/dbraw/zinc/25/80/54/352258054.db2.gz ROMYBOVGPSRTSF-WPRPVWTQSA-N 0 3 239.323 0.288 20 0 BCADHN CCn1nncc1CNC(=O)[C@@H](N)CC(C)C ZINC000638450965 352258204 /nfs/dbraw/zinc/25/82/04/352258204.db2.gz UEMINWZUUVKYDU-JTQLQIEISA-N 0 3 239.323 0.288 20 0 BCADHN CC[C@@H](N)C(=O)N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000638451089 352258365 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C[C@H]1C[C@@H](N=c2ncnc3[nH][n-]cc2-3)CC[N@@H+]1C ZINC000608088466 353106400 /nfs/dbraw/zinc/10/64/00/353106400.db2.gz DQDLSTKYQYRVGR-IUCAKERBSA-N 0 3 246.318 0.621 20 0 BCADHN C[C@H]1C[C@@H](N=c2ncnc3[nH][n-]cc2-3)CC[N@H+]1C ZINC000608088466 353106402 /nfs/dbraw/zinc/10/64/02/353106402.db2.gz DQDLSTKYQYRVGR-IUCAKERBSA-N 0 3 246.318 0.621 20 0 BCADHN C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(F)c[n-]c1=O ZINC000638931764 353093053 /nfs/dbraw/zinc/09/30/53/353093053.db2.gz RMUMICKPAHTVKH-HTRCEHHLSA-N 0 3 239.250 0.488 20 0 BCADHN C[C@H](O)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000334418517 353101900 /nfs/dbraw/zinc/10/19/00/353101900.db2.gz RRTDEHVWABZKLN-MNOVXSKESA-N 0 3 240.347 0.700 20 0 BCADHN CC(=O)N1CCN(C[C@H]2CCO[C@H](C)C2)CC1 ZINC000334424466 353103108 /nfs/dbraw/zinc/10/31/08/353103108.db2.gz WLCLQRIOYYNRQX-YPMHNXCESA-N 0 3 240.347 0.966 20 0 BCADHN COc1ccc(OC)c(NC(=O)[C@H](C)N)c1 ZINC000011957745 188006982 /nfs/dbraw/zinc/00/69/82/188006982.db2.gz GVZCGBGTMFLGFZ-ZETCQYMHSA-N 0 3 224.260 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CC[C@@H](C(=O)N1CC[C@](F)(CO)C1)N(C)C ZINC000338736107 188017848 /nfs/dbraw/zinc/01/78/48/188017848.db2.gz HHAUKINXVUHKGN-GXSJLCMTSA-N 0 3 232.299 0.260 20 0 BCADHN CC(C)[C@@]1(CO)CCCN([C@@H](C)C(N)=O)C1 ZINC000339703028 188018975 /nfs/dbraw/zinc/01/89/75/188018975.db2.gz UYYNXUYQYOZWJO-JQWIXIFHSA-N 0 3 228.336 0.591 20 0 BCADHN CC(C)COC[C@H](O)CN1CCCN(C)CC1 ZINC000339982287 188020212 /nfs/dbraw/zinc/02/02/12/188020212.db2.gz MLXMMHIIEURAGQ-CYBMUJFWSA-N 0 3 244.379 0.657 20 0 BCADHN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@H](C)N ZINC000121808331 188043694 /nfs/dbraw/zinc/04/36/94/188043694.db2.gz QYVZZAIFPLTGLV-DCAQKATOSA-N 0 3 228.336 0.901 20 0 BCADHN COCCCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188364688 353136892 /nfs/dbraw/zinc/13/68/92/353136892.db2.gz NPMJMUWZYMCDHA-DTWKUNHWSA-N 0 3 218.272 0.229 20 0 BCADHN C=Cn1cc(CN[C@H](C)Cn2cncn2)cn1 ZINC000278573649 188030403 /nfs/dbraw/zinc/03/04/03/188030403.db2.gz DEFAKMUUUKYZLW-SNVBAGLBSA-N 0 3 232.291 0.753 20 0 BCADHN CO[C@@H](C)CN(C)CCc1cnn(C)c1 ZINC000285504010 188034617 /nfs/dbraw/zinc/03/46/17/188034617.db2.gz DAUDFQKYSWGWNA-JTQLQIEISA-N 0 3 211.309 0.929 20 0 BCADHN CC(C)C[C@H](CO)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000286084764 188034907 /nfs/dbraw/zinc/03/49/07/188034907.db2.gz MLNGOFUKYWDPRD-VHSXEESVSA-N 0 3 239.319 0.828 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@@H](CO)C1)N(C)C ZINC000340311421 188035536 /nfs/dbraw/zinc/03/55/36/188035536.db2.gz BMRBFPQJFPOEBN-GHMZBOCLSA-N 0 3 228.336 0.413 20 0 BCADHN Cn1nccc1[C@@H]1CCCN(CCO)C1 ZINC000334473038 353118690 /nfs/dbraw/zinc/11/86/90/353118690.db2.gz KVOXFJOOBVJBFG-SNVBAGLBSA-N 0 3 209.293 0.592 20 0 BCADHN Cc1cnc(C(=O)N[C@@H](C)CN(C)C)o1 ZINC000291719224 188036954 /nfs/dbraw/zinc/03/69/54/188036954.db2.gz IMLBPLNURKSOOF-ZETCQYMHSA-N 0 3 211.265 0.663 20 0 BCADHN COC(=O)C1(CN(C)CCn2cccn2)CC1 ZINC000297596294 188040809 /nfs/dbraw/zinc/04/08/09/188040809.db2.gz UNXYTZKSHWSGMV-UHFFFAOYSA-N 0 3 237.303 0.768 20 0 BCADHN CCN(CC)CC(=O)N(C)Cc1nccn1C ZINC000299374219 188041932 /nfs/dbraw/zinc/04/19/32/188041932.db2.gz JXKQFDZICCARIB-UHFFFAOYSA-N 0 3 238.335 0.720 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1nnc2ccccn21 ZINC000040827922 188042643 /nfs/dbraw/zinc/04/26/43/188042643.db2.gz FVPHKKFRCIFPMK-NSHDSACASA-N 0 3 247.302 0.329 20 0 BCADHN CC(C)[C@H](C(=O)NCCO)N1CCCCC1 ZINC000331147842 188047001 /nfs/dbraw/zinc/04/70/01/188047001.db2.gz MRASWCSHJTVIAJ-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N1CC[C@H]([C@@H](C)O)C1 ZINC000162768580 188048618 /nfs/dbraw/zinc/04/86/18/188048618.db2.gz YVRSADADDGZDBL-TUAOUCFPSA-N 0 3 242.363 0.850 20 0 BCADHN CC(C)C[C@H]1OCCC[C@@H]1NCC(N)=O ZINC000186315672 188050720 /nfs/dbraw/zinc/05/07/20/188050720.db2.gz PIWQAMHNIBHUKR-VHSXEESVSA-N 0 3 214.309 0.655 20 0 BCADHN CC(C)CC[C@@H](O)CN1CCOC[C@@H](O)C1 ZINC000331953719 188052974 /nfs/dbraw/zinc/05/29/74/188052974.db2.gz ZYBAHFUGXGBHAR-NEPJUHHUSA-N 0 3 231.336 0.477 20 0 BCADHN CC(=O)N[C@H](C)C(=O)NCC1(N(C)C)CCC1 ZINC000332026275 188053150 /nfs/dbraw/zinc/05/31/50/188053150.db2.gz IVJKCCZBTUPQEK-SECBINFHSA-N 0 3 241.335 0.112 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2NCC2(C)C)[C@@H](C)O1 ZINC000638943705 353143154 /nfs/dbraw/zinc/14/31/54/353143154.db2.gz KICZOWULAHHXPA-DOLQZWNJSA-N 0 3 226.320 0.667 20 0 BCADHN C[C@H]1OCC[C@H]1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000333596445 188054119 /nfs/dbraw/zinc/05/41/19/188054119.db2.gz OZVNDFNCISUUSY-LMLFDSFASA-N 0 3 241.335 0.556 20 0 BCADHN CC(C)(C)[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC000336430408 188056127 /nfs/dbraw/zinc/05/61/27/188056127.db2.gz IXJSWYRTKZJJQX-QMMMGPOBSA-N 0 3 227.308 0.549 20 0 BCADHN CCCCOCCN(C)[C@H]1COC[C@H]1O ZINC000352803080 188058268 /nfs/dbraw/zinc/05/82/68/188058268.db2.gz NSQDEKKKHDEIDX-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN CC(C)[C@@H]1CN([C@@H](C)C(=O)N(C)C)CCN1C ZINC000336606004 188058463 /nfs/dbraw/zinc/05/84/63/188058463.db2.gz WPOPXBUMBHIVEB-RYUDHWBXSA-N 0 3 241.379 0.735 20 0 BCADHN CC1CCC(N(C)CC(=O)NC(N)=O)CC1 ZINC000047828792 353155130 /nfs/dbraw/zinc/15/51/30/353155130.db2.gz SHKJUBGEDHEDRP-UHFFFAOYSA-N 0 3 227.308 0.692 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H](C)C[C@H](C)O)N(C)C ZINC000341932998 188045418 /nfs/dbraw/zinc/04/54/18/188045418.db2.gz SABKSUZGBLTJHF-GARJFASQSA-N 0 3 230.352 0.848 20 0 BCADHN CC(C)CC[C@H](O)CN(C)[C@@H]1COC[C@H]1O ZINC000330605613 353175050 /nfs/dbraw/zinc/17/50/50/353175050.db2.gz JUKMKMYLGUHWDK-QJPTWQEYSA-N 0 3 231.336 0.475 20 0 BCADHN Cc1ncc([C@@H](C)NC(=O)[C@@H](C)N)s1 ZINC000638974285 353180063 /nfs/dbraw/zinc/18/00/63/353180063.db2.gz NONBRMFHGKCLRP-PHDIDXHHSA-N 0 3 213.306 0.976 20 0 BCADHN O=C(CCOC1CNC1)N[C@@]12C[C@@H]1CCCC2 ZINC000638974585 353180205 /nfs/dbraw/zinc/18/02/05/353180205.db2.gz SFHMHQYXDKZSTA-GWCFXTLKSA-N 0 3 238.331 0.814 20 0 BCADHN CNCC(=O)Nc1cnn2c1CCCC2 ZINC000638978414 353184059 /nfs/dbraw/zinc/18/40/59/353184059.db2.gz CDHWKNPWUJMJPM-UHFFFAOYSA-N 0 3 208.265 0.377 20 0 BCADHN Cc1cc(N)cc(NC(=O)CCOC2CNC2)c1 ZINC000638981231 353191334 /nfs/dbraw/zinc/19/13/34/353191334.db2.gz CKTJORYFFUOOEN-UHFFFAOYSA-N 0 3 249.314 0.894 20 0 BCADHN C[C@@H](N)C(=O)NCc1cccc2c1CCOC2 ZINC000638989266 353217004 /nfs/dbraw/zinc/21/70/04/353217004.db2.gz GIHKKUOGSJEHEM-SECBINFHSA-N 0 3 234.299 0.723 20 0 BCADHN CCCN1CC[C@@H](NS(=O)(=O)CCC)C1 ZINC000308751872 538110767 /nfs/dbraw/zinc/11/07/67/538110767.db2.gz QPUVODVXHFJOBW-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN CC(C)CC[C@H](O)CN[C@@H]1C(=O)NCC[C@@H]1C ZINC000331271401 353232978 /nfs/dbraw/zinc/23/29/78/353232978.db2.gz NBVKHRYPPAFMLR-SRVKXCTJSA-N 0 3 242.363 0.898 20 0 BCADHN CC1(F)CCN(C(=O)C2(N)CC2)CC1 ZINC000638995645 353237760 /nfs/dbraw/zinc/23/77/60/353237760.db2.gz ZCQIDBGRACWWKE-UHFFFAOYSA-N 0 3 200.257 0.828 20 0 BCADHN NC1(C(=O)NCc2cccc3c2CCOC3)CC1 ZINC000638990072 353223461 /nfs/dbraw/zinc/22/34/61/353223461.db2.gz VJEMDYNACFLKPL-UHFFFAOYSA-N 0 3 246.310 0.867 20 0 BCADHN Cc1cc(NC(=O)CN2CCNCC2)cs1 ZINC000638993656 353226976 /nfs/dbraw/zinc/22/69/76/353226976.db2.gz CPUDVCPRQMWNBK-UHFFFAOYSA-N 0 3 239.344 0.900 20 0 BCADHN COCCNCC(=O)N1CCC(C)(F)CC1 ZINC000638994004 353227995 /nfs/dbraw/zinc/22/79/95/353227995.db2.gz FIRYROHFENVONQ-UHFFFAOYSA-N 0 3 232.299 0.573 20 0 BCADHN CC1(F)CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000638994154 353229505 /nfs/dbraw/zinc/22/95/05/353229505.db2.gz GHJGPZODCLXDPM-JTQLQIEISA-N 0 3 244.310 0.716 20 0 BCADHN CC1(C)CCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188544673 353252400 /nfs/dbraw/zinc/25/24/00/353252400.db2.gz SNTUEESWNMNXBM-DTWKUNHWSA-N 0 3 214.284 0.945 20 0 BCADHN CC[C@@H](O)CC(=O)NC[C@H]1CCCN1CC ZINC000331328338 353240440 /nfs/dbraw/zinc/24/04/40/353240440.db2.gz PVJMHHHLENKEBP-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000638998206 353241258 /nfs/dbraw/zinc/24/12/58/353241258.db2.gz FUXBNQXHTDFDSI-IEBDPFPHSA-N 0 3 226.320 0.798 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)CCOC1CNC1 ZINC000393775902 353258119 /nfs/dbraw/zinc/25/81/19/353258119.db2.gz FOCCCAKEBXWXOS-PSASIEDQSA-N 0 3 212.293 0.280 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NC[C@H](O)CN(C)C ZINC000134559966 538113507 /nfs/dbraw/zinc/11/35/07/538113507.db2.gz RKFZLSWRRGRAPW-SCZZXKLOSA-N 0 3 226.324 0.291 20 0 BCADHN CSCCN(C)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188945176 353273822 /nfs/dbraw/zinc/27/38/22/353273822.db2.gz GKBWGAHMVSDMNF-JGVFFNPUSA-N 0 3 220.313 0.508 20 0 BCADHN NCC(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000639017169 353274327 /nfs/dbraw/zinc/27/43/27/353274327.db2.gz BHFGAMNMYFLAKI-LLVKDONJSA-N 0 3 238.262 0.764 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CCCn2nccc21 ZINC000639022320 353277919 /nfs/dbraw/zinc/27/79/19/353277919.db2.gz LOARSHLPDCWTQR-ZJUUUORDSA-N 0 3 236.319 0.832 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1CCCn2nccc21 ZINC000639022316 353277929 /nfs/dbraw/zinc/27/79/29/353277929.db2.gz LOARSHLPDCWTQR-NXEZZACHSA-N 0 3 236.319 0.832 20 0 BCADHN Cc1ccc(C(=O)C(=O)NCCN)cc1 ZINC000237795869 188258459 /nfs/dbraw/zinc/25/84/59/188258459.db2.gz FAZXWUYVYJXEJS-UHFFFAOYSA-N 0 3 206.245 0.253 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)N(C)CCN(C)C1CC1 ZINC000354083562 188235756 /nfs/dbraw/zinc/23/57/56/188235756.db2.gz SFBMKLNPHMKCBZ-CYBMUJFWSA-N 0 3 242.363 0.946 20 0 BCADHN CC(=O)C1(C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000354584048 188236679 /nfs/dbraw/zinc/23/66/79/188236679.db2.gz XZPLQFXOIPWHKC-QMMMGPOBSA-N 0 3 212.293 0.422 20 0 BCADHN CC(C)CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000357733483 188239838 /nfs/dbraw/zinc/23/98/38/188239838.db2.gz UKXBJSAWNIYMRF-LLVKDONJSA-N 0 3 229.324 0.008 20 0 BCADHN CC(C)[C@H](C(=O)NCCCOCCO)N(C)C ZINC000357056684 188239988 /nfs/dbraw/zinc/23/99/88/188239988.db2.gz YPCNDLUMSZMTCO-LLVKDONJSA-N 0 3 246.351 0.088 20 0 BCADHN CC(C)N(C[C@H](C)O)C(=O)N[C@@H](C)CN(C)C ZINC000358502775 188240379 /nfs/dbraw/zinc/24/03/79/188240379.db2.gz PLPIWMJJAWQPFY-QWRGUYRKSA-N 0 3 245.367 0.737 20 0 BCADHN CC(C)[C@H](C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358052841 188240822 /nfs/dbraw/zinc/24/08/22/188240822.db2.gz VDQVPHCEKUINQL-JQWIXIFHSA-N 0 3 228.336 0.461 20 0 BCADHN CN(C)CC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000360410604 188243171 /nfs/dbraw/zinc/24/31/71/188243171.db2.gz IWQSWUARVLPOFT-LLVKDONJSA-N 0 3 227.352 0.348 20 0 BCADHN CC(=O)NCCCN1CC[C@@H](n2cccn2)C1 ZINC000368269268 188247333 /nfs/dbraw/zinc/24/73/33/188247333.db2.gz HKWJLGIKRWKUJC-GFCCVEGCSA-N 0 3 236.319 0.656 20 0 BCADHN CC(C)(O)CCN1CCC[C@]2(CNC(=O)O2)C1 ZINC000372665169 188249100 /nfs/dbraw/zinc/24/91/00/188249100.db2.gz LHYABGCLUIWIQV-LBPRGKRZSA-N 0 3 242.319 0.722 20 0 BCADHN CC(C)N(C)CC(=O)N1CC([C@H]2CCOC2)C1 ZINC000375111952 188250515 /nfs/dbraw/zinc/25/05/15/188250515.db2.gz RZCUJOLOVYRANO-NSHDSACASA-N 0 3 240.347 0.822 20 0 BCADHN CC(C)C[C@@H](CCO)CNC(=O)CN ZINC000236751571 188258838 /nfs/dbraw/zinc/25/88/38/188258838.db2.gz KTABTJUZHPYDNN-SECBINFHSA-N 0 3 202.298 0.106 20 0 BCADHN Cc1n[nH]cc1CN[C@@H]1CN(C)C[C@@H]1C ZINC000335609137 188256244 /nfs/dbraw/zinc/25/62/44/188256244.db2.gz ZGFLRAYIIHNVAH-GZMMTYOYSA-N 0 3 208.309 0.758 20 0 BCADHN CC(C)(NCC(=O)NC(N)=O)c1cccs1 ZINC000336657387 188256340 /nfs/dbraw/zinc/25/63/40/188256340.db2.gz IHZGKBXIDOGIAU-UHFFFAOYSA-N 0 3 241.316 0.768 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726754 188258106 /nfs/dbraw/zinc/25/81/06/188258106.db2.gz XIXZOYXWRJCXHL-ZYHUDNBSSA-N 0 3 239.363 0.713 20 0 BCADHN CCN1CCN(c2ccnc(C(N)=O)c2)[C@H](C)C1 ZINC000343272579 353295324 /nfs/dbraw/zinc/29/53/24/353295324.db2.gz CQODFAZGLFDFIH-SNVBAGLBSA-N 0 3 248.330 0.711 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCn2nccc21 ZINC000639035199 353308910 /nfs/dbraw/zinc/30/89/10/353308910.db2.gz WGLKJSIUACKEBG-JTQLQIEISA-N 0 3 236.319 0.993 20 0 BCADHN CC[C@@H](NC)C(=O)N1CCn2nccc21 ZINC000639035353 353308936 /nfs/dbraw/zinc/30/89/36/353308936.db2.gz WOFWWACWIKMJMF-MRVPVSSYSA-N 0 3 208.265 0.228 20 0 BCADHN CC(C)(CNCc1cccnc1)OCCO ZINC000288365815 188268020 /nfs/dbraw/zinc/26/80/20/188268020.db2.gz DPNMSGJTAHVKBQ-UHFFFAOYSA-N 0 3 224.304 0.959 20 0 BCADHN CNC(=O)c1ccc(CNCC[C@@H](C)O)cc1 ZINC000078780757 188269656 /nfs/dbraw/zinc/26/96/56/188269656.db2.gz SCKGQZIDVJIKRU-SNVBAGLBSA-N 0 3 236.315 0.907 20 0 BCADHN C[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1CNCCO1 ZINC000252130638 353296837 /nfs/dbraw/zinc/29/68/37/353296837.db2.gz KTDRMXQTRYBEBL-VWYCJHECSA-N 0 3 226.320 0.670 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCCOC1 ZINC000038046082 188283371 /nfs/dbraw/zinc/28/33/71/188283371.db2.gz QQGHXOMAPQMIMR-UWVGGRQHSA-N 0 3 214.309 0.513 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N2CCn3nccc32)C1 ZINC000639035558 353305154 /nfs/dbraw/zinc/30/51/54/353305154.db2.gz ZFGIUTRYOYHTBG-NXEZZACHSA-N 0 3 234.303 0.618 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCCOC(F)(F)F ZINC000639033889 353305364 /nfs/dbraw/zinc/30/53/64/353305364.db2.gz RDINCSDKDKLVSH-ZCFIWIBFSA-N 0 3 240.225 0.637 20 0 BCADHN O=C(CNCC1CC1)N1CCn2nccc21 ZINC000639034515 353307076 /nfs/dbraw/zinc/30/70/76/353307076.db2.gz ICDVNQPCFOXLKC-UHFFFAOYSA-N 0 3 220.276 0.229 20 0 BCADHN CC(C)[C@@](C)(NCCOCC(F)F)C(N)=O ZINC000309696379 188323438 /nfs/dbraw/zinc/32/34/38/188323438.db2.gz RKIOYZBXUUFALE-SNVBAGLBSA-N 0 3 238.278 0.758 20 0 BCADHN COc1ccc(CCNC(=O)[C@@H](C)N)cc1O ZINC000639045882 353335317 /nfs/dbraw/zinc/33/53/17/353335317.db2.gz DPLUMZKHOKJKIZ-MRVPVSSYSA-N 0 3 238.287 0.407 20 0 BCADHN CC(C)NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000334501908 353336806 /nfs/dbraw/zinc/33/68/06/353336806.db2.gz NSRSWLPWACLDAT-VHSXEESVSA-N 0 3 211.309 0.740 20 0 BCADHN CC(C)NC(=O)CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252884620 353313186 /nfs/dbraw/zinc/31/31/86/353313186.db2.gz WTHOGKZTTKOGFT-DCAQKATOSA-N 0 3 226.320 0.214 20 0 BCADHN Cc1ccc(C(=O)NC2(CN(C)C)CCC2)nn1 ZINC000412324246 191274663 /nfs/dbraw/zinc/27/46/63/191274663.db2.gz UAEMQEDPGPXHOM-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN CC(C)(C)[C@@H](NCCC(C)(C)O)C(N)=O ZINC000309071165 188312197 /nfs/dbraw/zinc/31/21/97/188312197.db2.gz DDJKSDIOAUDDOX-QMMMGPOBSA-N 0 3 216.325 0.637 20 0 BCADHN NC(=O)C1(NCC2CCSCC2)CC1 ZINC000639042599 353325787 /nfs/dbraw/zinc/32/57/87/353325787.db2.gz HRPPIRWPQSJQSN-UHFFFAOYSA-N 0 3 214.334 0.737 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1CCC(CO)CC1 ZINC000304519713 188325743 /nfs/dbraw/zinc/32/57/43/188325743.db2.gz XCEJENBLLLGUSH-LLVKDONJSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@H](C(=O)N1CCCOC1)N(C)C ZINC000334505947 353362225 /nfs/dbraw/zinc/36/22/25/353362225.db2.gz FULUJLJEXSBRPF-VIFPVBQESA-N 0 3 200.282 0.533 20 0 BCADHN C(C[C@H]1CCO1)CN1CCN2CCOC[C@H]2C1 ZINC000639058150 353364027 /nfs/dbraw/zinc/36/40/27/353364027.db2.gz HUQAMDAZWPOEOU-OLZOCXBDSA-N 0 3 240.347 0.572 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1CCSC1 ZINC000225491634 188329737 /nfs/dbraw/zinc/32/97/37/188329737.db2.gz DAWAZDYBSCFJIV-YUMQZZPRSA-N 0 3 202.323 0.591 20 0 BCADHN CNC(=O)CCNCc1cnccc1C ZINC000135457723 188332088 /nfs/dbraw/zinc/33/20/88/188332088.db2.gz SBZYHZQJZZRLAX-UHFFFAOYSA-N 0 3 207.277 0.616 20 0 BCADHN COCC1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000537609694 324086992 /nfs/dbraw/zinc/08/69/92/324086992.db2.gz RSCSNRKQLKTIPO-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)CO[C@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000122320392 188355969 /nfs/dbraw/zinc/35/59/69/188355969.db2.gz SKMGALILZRQPNV-ZJUUUORDSA-N 0 3 214.309 0.607 20 0 BCADHN C[C@@H]1CN(Cc2ccc(=O)[nH]c2)CC[C@H]1O ZINC000639073653 353391210 /nfs/dbraw/zinc/39/12/10/353391210.db2.gz GYOURXRRJZPRFS-MWLCHTKSSA-N 0 3 222.288 0.990 20 0 BCADHN C[C@@](O)(CO)CNCc1cccs1 ZINC000085250284 538116161 /nfs/dbraw/zinc/11/61/61/538116161.db2.gz YYBPIQBEZNBLMS-VIFPVBQESA-N 0 3 201.291 0.581 20 0 BCADHN C[C@H](N)C(=O)Nc1nc2ccccc2n1C ZINC000639074123 353394054 /nfs/dbraw/zinc/39/40/54/353394054.db2.gz WNOYLEMDIOMKKK-ZETCQYMHSA-N 0 3 218.260 0.859 20 0 BCADHN COc1ccccc1CNC[C@](C)(O)CO ZINC000085251426 538116309 /nfs/dbraw/zinc/11/63/09/538116309.db2.gz CMLJLDPYADYKQY-LBPRGKRZSA-N 0 3 225.288 0.528 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000178038400 188342850 /nfs/dbraw/zinc/34/28/50/188342850.db2.gz MPRYVBDYBXBUGG-BDAKNGLRSA-N 0 3 222.288 0.703 20 0 BCADHN COc1ccc(CNC[C@](C)(O)CO)cc1 ZINC000085250595 538116363 /nfs/dbraw/zinc/11/63/63/538116363.db2.gz NHGLFXLGDMHLLU-LBPRGKRZSA-N 0 3 225.288 0.528 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCC[C@@H](O)C(C)C ZINC000309389048 188345174 /nfs/dbraw/zinc/34/51/74/188345174.db2.gz FLLIAKCZXGEDSE-NXEZZACHSA-N 0 3 216.325 0.493 20 0 BCADHN CC(=O)CCN1CCC(Cn2cncn2)CC1 ZINC000186240194 188347658 /nfs/dbraw/zinc/34/76/58/188347658.db2.gz JEPGVNROVQUUFS-UHFFFAOYSA-N 0 3 236.319 0.969 20 0 BCADHN CC(C)[C@H](O)CN1C[C@@H](CO)OC(C)(C)C1 ZINC000300950937 188349083 /nfs/dbraw/zinc/34/90/83/188349083.db2.gz ZNLYFXRKTRQSJZ-WDEREUQCSA-N 0 3 231.336 0.475 20 0 BCADHN CC(=O)N1CCCN(C[C@H](O)C(C)(C)C)CC1 ZINC000302330263 188353830 /nfs/dbraw/zinc/35/38/30/188353830.db2.gz GBPHCMDRRQSUQF-LBPRGKRZSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)(O)CN1CCC(O)(C(F)F)CC1 ZINC000334223872 188354344 /nfs/dbraw/zinc/35/43/44/188354344.db2.gz CVULUKPCHWWZES-UHFFFAOYSA-N 0 3 223.263 0.849 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)/C=C/CN(C)C ZINC000265620687 188372328 /nfs/dbraw/zinc/37/23/28/188372328.db2.gz HGZYBQSKYHVDEX-CYNONHLPSA-N 0 3 228.292 0.172 20 0 BCADHN Cc1cc(CC(=O)NC[C@@H](C)N(C)C)no1 ZINC000266847329 188372841 /nfs/dbraw/zinc/37/28/41/188372841.db2.gz QRZUJGBHFZSWBE-MRVPVSSYSA-N 0 3 225.292 0.592 20 0 BCADHN CN(Cc1ccc(=O)[nH]c1)CC1(CO)CC1 ZINC000639084877 353421957 /nfs/dbraw/zinc/42/19/57/353421957.db2.gz AFONKCGSRFGYBI-UHFFFAOYSA-N 0 3 222.288 0.992 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000226697155 188359358 /nfs/dbraw/zinc/35/93/58/188359358.db2.gz FOPOQJOGHLCMKF-APPZFPTMSA-N 0 3 210.281 0.570 20 0 BCADHN C[C@H]1CN(C)CCN1CCCN1CCOCC1 ZINC000336698501 188359804 /nfs/dbraw/zinc/35/98/04/188359804.db2.gz KNRAHZHNDLYLSY-ZDUSSCGKSA-N 0 3 241.379 0.345 20 0 BCADHN CC[C@@H](O)CNCc1cnc(N(C)C)nc1 ZINC000336779118 188360120 /nfs/dbraw/zinc/36/01/20/188360120.db2.gz NFERVCIFDJPRJU-SNVBAGLBSA-N 0 3 224.308 0.403 20 0 BCADHN CC(C)COCCN(C)[C@@]1(CO)CCOC1 ZINC000337313296 188361217 /nfs/dbraw/zinc/36/12/17/188361217.db2.gz GOWKOGNKFPYMOU-GFCCVEGCSA-N 0 3 231.336 0.742 20 0 BCADHN C(CN1C[C@H]2CC[C@@H](C1)O2)N1CCCC1 ZINC000335715955 188363456 /nfs/dbraw/zinc/36/34/56/188363456.db2.gz QGVOGXNUFPDJMR-TXEJJXNPSA-N 0 3 210.321 0.945 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H](C)N(C)C ZINC000412392896 191278612 /nfs/dbraw/zinc/27/86/12/191278612.db2.gz GBKVRVYLSLRAHH-LPEHRKFASA-N 0 3 242.319 0.252 20 0 BCADHN CC[C@@H](NC(=O)CN1CCNCC1)C(F)F ZINC000639077366 353405441 /nfs/dbraw/zinc/40/54/41/353405441.db2.gz LVDZKQAUTVCCCT-MRVPVSSYSA-N 0 3 235.278 0.052 20 0 BCADHN CC[C@@H](C(=O)N1CC(OC)C1)N(C)C ZINC000338970392 188367667 /nfs/dbraw/zinc/36/76/67/188367667.db2.gz RFNMFDCHTLZNNU-VIFPVBQESA-N 0 3 200.282 0.184 20 0 BCADHN C[C@H]1CN(CCC[C@H]2CCO2)CCN1CCO ZINC000639090705 353447737 /nfs/dbraw/zinc/44/77/37/353447737.db2.gz JNMMZTOMLTWEMR-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN CCC[C@H](C(=O)NC[C@H]1CC[C@H](O)C1)N(C)C ZINC000191218487 353449262 /nfs/dbraw/zinc/44/92/62/353449262.db2.gz XOVRWYSWUQDNCK-SDDRHHMPSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1c(CN2CC[C@H](C)[C@H]2CO)cnn1C ZINC000275962023 188379332 /nfs/dbraw/zinc/37/93/32/188379332.db2.gz BMHKKLGFLDAAGE-JOYOIKCWSA-N 0 3 223.320 0.931 20 0 BCADHN CC(C)=CCCNC(=O)C(C)S(C)(=O)=O ZINC000276629588 188380395 /nfs/dbraw/zinc/38/03/95/188380395.db2.gz NVPMXYGKTMUVJZ-VIFPVBQESA-N 0 3 233.333 0.892 20 0 BCADHN CCOCC1(C(=O)NC[C@H](C)N(C)C)CC1 ZINC000412396831 191279603 /nfs/dbraw/zinc/27/96/03/191279603.db2.gz WIDMXQSALUBMEN-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCC[C@H]1C(N)=O ZINC000340292382 188387971 /nfs/dbraw/zinc/38/79/71/188387971.db2.gz UERZMRBTEVUVJQ-IUCAKERBSA-N 0 3 214.309 0.343 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000191149519 353439113 /nfs/dbraw/zinc/43/91/13/353439113.db2.gz WAWGMSDXXRHMAW-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN CCN(CC)CC(=O)NC[C@H]1CC[C@H](O)C1 ZINC000191149535 353439327 /nfs/dbraw/zinc/43/93/27/353439327.db2.gz WAWGMSDXXRHMAW-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN COC[C@@H](C)CC(=O)NC[C@H](C)N(C)C ZINC000412388086 191281571 /nfs/dbraw/zinc/28/15/71/191281571.db2.gz IKPQNSZFCXTWON-UWVGGRQHSA-N 0 3 216.325 0.725 20 0 BCADHN CC(C)(N)C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000040922279 188397092 /nfs/dbraw/zinc/39/70/92/188397092.db2.gz ZZQDDAJBRCUZGV-UHFFFAOYSA-N 0 3 236.275 0.853 20 0 BCADHN C[C@H](N)C(=O)N1CCN(C)c2cc(F)ccc21 ZINC000178863017 538117611 /nfs/dbraw/zinc/11/76/11/538117611.db2.gz CLBLQJXRZQOGRH-QMMMGPOBSA-N 0 3 237.278 0.956 20 0 BCADHN CC(C)NCC(=O)N1CCCn2nccc21 ZINC000572497941 324134091 /nfs/dbraw/zinc/13/40/91/324134091.db2.gz CTUOIZNKFNRQKQ-UHFFFAOYSA-N 0 3 222.292 0.618 20 0 BCADHN CO[C@](C)(CN1C[C@H](C)O[C@H](CO)C1)C1CC1 ZINC000639094673 353478420 /nfs/dbraw/zinc/47/84/20/353478420.db2.gz TUEYFQBNPRCXLL-WCFLWFBJSA-N 0 3 243.347 0.883 20 0 BCADHN COc1nccc(CN(C)CCN(C)C)n1 ZINC000296117934 188394415 /nfs/dbraw/zinc/39/44/15/188394415.db2.gz SWQKEVGPLZOSNZ-UHFFFAOYSA-N 0 3 224.308 0.479 20 0 BCADHN COc1ccc(CNC(C)(C)CC(N)=O)cn1 ZINC000230650075 353520025 /nfs/dbraw/zinc/52/00/25/353520025.db2.gz FYMVIMUDHFOONC-UHFFFAOYSA-N 0 3 237.303 0.834 20 0 BCADHN CC(C)C[C@@]1(CO)CCCN1CC(N)=O ZINC000191651858 353502033 /nfs/dbraw/zinc/50/20/33/353502033.db2.gz FFVAPVCVMIBBEB-LLVKDONJSA-N 0 3 214.309 0.345 20 0 BCADHN CCc1ccccc1S(=O)(=O)NCCNC ZINC000193254586 353578335 /nfs/dbraw/zinc/57/83/35/353578335.db2.gz SZXNJWCPZYLJFG-UHFFFAOYSA-N 0 3 242.344 0.747 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000334514255 353579363 /nfs/dbraw/zinc/57/93/63/353579363.db2.gz HTDLMFBHSQZXGD-WDEREUQCSA-N 0 3 227.352 0.535 20 0 BCADHN CCC(C)(C)CNCc1cnc(N)nc1N ZINC000639105195 353601049 /nfs/dbraw/zinc/60/10/49/353601049.db2.gz OYSOZXDLZDVKEK-UHFFFAOYSA-N 0 3 223.324 0.828 20 0 BCADHN C[C@H](O)CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000192443894 353556221 /nfs/dbraw/zinc/55/62/21/353556221.db2.gz VFUVLSVNZIKDPE-IUCAKERBSA-N 0 3 229.324 0.149 20 0 BCADHN CNCC(=O)N[C@H](C)[C@@H](O)Cc1ccccc1 ZINC000193136186 353571383 /nfs/dbraw/zinc/57/13/83/353571383.db2.gz UNXFAIRZVRVGID-PWSUYJOCSA-N 0 3 236.315 0.314 20 0 BCADHN CNCC(=O)N[C@H](C)[C@H](O)Cc1ccccc1 ZINC000193136160 353571550 /nfs/dbraw/zinc/57/15/50/353571550.db2.gz UNXFAIRZVRVGID-ZYHUDNBSSA-N 0 3 236.315 0.314 20 0 BCADHN COC[C@H](O)CC[NH2+]Cc1nc(C)ccc1[O-] ZINC000231608354 353624232 /nfs/dbraw/zinc/62/42/32/353624232.db2.gz XSGBJCKWPKNABA-SNVBAGLBSA-N 0 3 240.303 0.583 20 0 BCADHN Cc1ccc(N2CCCN(C(=O)CN)CC2)cc1 ZINC000165764900 353635219 /nfs/dbraw/zinc/63/52/19/353635219.db2.gz STZCUBJLEIPNKQ-UHFFFAOYSA-N 0 3 247.342 0.992 20 0 BCADHN C[C@@H](N[C@@H](C)[C@H]1CCCCO1)C(N)=O ZINC000639107754 353639851 /nfs/dbraw/zinc/63/98/51/353639851.db2.gz CTZAHAQGNGAWKR-DJLDLDEBSA-N 0 3 200.282 0.407 20 0 BCADHN CCN(CCNC(=O)COC)C1CC1 ZINC000227552976 363241511 /nfs/dbraw/zinc/24/15/11/363241511.db2.gz RWBLMIPCFCFBIP-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN C[C@H](CO)NC(=O)[C@H]1CCCN1C1CCCC1 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214.309 0.526 20 0 BCADHN CC[C@H](NC[C@H](OC)[C@@H]1CCOC1)C(=O)NC ZINC000639241667 355226766 /nfs/dbraw/zinc/22/67/66/355226766.db2.gz LEGLZEHCQQIPOF-VWYCJHECSA-N 0 3 244.335 0.152 20 0 BCADHN CC[C@H](NC[C@@](C)(CC)OC)C(=O)NC ZINC000639242310 355226881 /nfs/dbraw/zinc/22/68/81/355226881.db2.gz QUTZETMDIFBHGU-GXSJLCMTSA-N 0 3 216.325 0.916 20 0 BCADHN CC[C@H](N[C@@H](C)Cc1cnccn1)C(=O)NC ZINC000639242341 355227171 /nfs/dbraw/zinc/22/71/71/355227171.db2.gz QVTUNCNLFCSJIG-ONGXEEELSA-N 0 3 236.319 0.522 20 0 BCADHN CC[C@@](C)(CN1CCN(CCO)C[C@@H]1C)OC ZINC000639243288 355228823 /nfs/dbraw/zinc/22/88/23/355228823.db2.gz GAOXKHIDBIMCBN-STQMWFEESA-N 0 3 244.379 0.800 20 0 BCADHN Cn1ncnc1CNCCN1CCCC1(C)C ZINC000639242122 355228951 /nfs/dbraw/zinc/22/89/51/355228951.db2.gz LYVCXWWUXBKJRQ-UHFFFAOYSA-N 0 3 237.351 0.779 20 0 BCADHN CCC[C@H](CN[C@@H](CC)C(=O)NC)OC ZINC000639243175 355229705 /nfs/dbraw/zinc/22/97/05/355229705.db2.gz YKEHQJKSADHOSM-ZJUUUORDSA-N 0 3 216.325 0.916 20 0 BCADHN CC[C@H](NC1CC(n2cccn2)C1)C(=O)NC ZINC000639243169 355229777 /nfs/dbraw/zinc/22/97/77/355229777.db2.gz YIQUSWMFZPAYCW-ILDUYXDCSA-N 0 3 236.319 0.701 20 0 BCADHN CN(C)CCSC[C@H]1CCCNC1=O ZINC000413002069 191335409 /nfs/dbraw/zinc/33/54/09/191335409.db2.gz SQXQXEGRCFPPQM-SECBINFHSA-N 0 3 216.350 0.807 20 0 BCADHN C[C@H]1OCCN(C(=O)CCOC2CNC2)[C@H]1C ZINC000347639106 355244339 /nfs/dbraw/zinc/24/43/39/355244339.db2.gz CFKYGPQQTCRWFY-VHSXEESVSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C(=O)CCOC1CNC1 ZINC000347639109 355244711 /nfs/dbraw/zinc/24/47/11/355244711.db2.gz CFKYGPQQTCRWFY-ZJUUUORDSA-N 0 3 242.319 0.001 20 0 BCADHN COCC(COC)N[C@H](C)Cc1cnccn1 ZINC000639235305 355217891 /nfs/dbraw/zinc/21/78/91/355217891.db2.gz JOQVMCLQJVMUKR-SNVBAGLBSA-N 0 3 239.319 0.659 20 0 BCADHN CN(C)CCOCCNC(=O)N[C@H]1CC1(C)C ZINC000413481400 191388012 /nfs/dbraw/zinc/38/80/12/191388012.db2.gz TUFYLGFGSPDLCX-JTQLQIEISA-N 0 3 243.351 0.662 20 0 BCADHN Cn1cnc2cc(NC(=O)[C@@H]3C[C@@H]3N)ccc21 ZINC000335281134 355271073 /nfs/dbraw/zinc/27/10/73/355271073.db2.gz NNKNJLXDVMBDGY-BDAKNGLRSA-N 0 3 230.271 0.859 20 0 BCADHN CN(C)C1CN(c2cc(NC3CC3)ncn2)C1 ZINC000413213044 191364292 /nfs/dbraw/zinc/36/42/92/191364292.db2.gz JKORIQCIHGEERC-UHFFFAOYSA-N 0 3 233.319 0.801 20 0 BCADHN CO[C@H](C(=O)N1CCC[C@H]1CN(C)C)C1CC1 ZINC000413331090 191375191 /nfs/dbraw/zinc/37/51/91/191375191.db2.gz DRSZQFGYOQPQGJ-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN CO[C@@]1(CN2CC(C)(CO)C2)CCOC1 ZINC000639255768 355296226 /nfs/dbraw/zinc/29/62/26/355296226.db2.gz YNOMOPJLFKAUEI-LLVKDONJSA-N 0 3 215.293 0.106 20 0 BCADHN CO[C@@H](CN1CC(C)(CO)C1)[C@@H]1CCOC1 ZINC000639255752 355296436 /nfs/dbraw/zinc/29/64/36/355296436.db2.gz YACYGJZVWWDUFB-MNOVXSKESA-N 0 3 229.320 0.352 20 0 BCADHN CO[C@]1(CN2CC(C)(CO)C2)CCOC1 ZINC000639255769 355296481 /nfs/dbraw/zinc/29/64/81/355296481.db2.gz YNOMOPJLFKAUEI-NSHDSACASA-N 0 3 215.293 0.106 20 0 BCADHN Cc1cccc(CNC(=O)CCOC2CNC2)c1 ZINC000348985694 355335973 /nfs/dbraw/zinc/33/59/73/355335973.db2.gz ADSFGGPYJWALEK-UHFFFAOYSA-N 0 3 248.326 0.990 20 0 BCADHN O=C(CCOC1CNC1)NCc1ccsc1 ZINC000348987295 355336560 /nfs/dbraw/zinc/33/65/60/355336560.db2.gz FDBFHKOYTLWEFX-UHFFFAOYSA-N 0 3 240.328 0.743 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ccn2ccnc2c1 ZINC000583498228 355331818 /nfs/dbraw/zinc/33/18/18/355331818.db2.gz FMQOTCIDDDGKRY-SNVBAGLBSA-N 0 3 232.287 0.688 20 0 BCADHN CCN1C[C@H](NC[C@]2(OC)CCOC2)CC1=O ZINC000639248283 355277589 /nfs/dbraw/zinc/27/75/89/355277589.db2.gz VXYLGMRENPQHOA-ZYHUDNBSSA-N 0 3 242.319 0.002 20 0 BCADHN CO[C@@H](CN1CC(CCO)C1)C1CCOCC1 ZINC000639249402 355278371 /nfs/dbraw/zinc/27/83/71/355278371.db2.gz AGRBSNXZOCOEOW-ZDUSSCGKSA-N 0 3 243.347 0.742 20 0 BCADHN C[C@@H](N1CC(CCO)C1)C(C)(C)n1cncn1 ZINC000639251536 355284764 /nfs/dbraw/zinc/28/47/64/355284764.db2.gz RBQPBTGGIRRNBH-SNVBAGLBSA-N 0 3 238.335 0.716 20 0 BCADHN CS[C@H](C)CNC[C@H](C)S(C)(=O)=O ZINC000584345873 355366188 /nfs/dbraw/zinc/36/61/88/355366188.db2.gz FUBMHXDQKBZKBS-SFYZADRCSA-N 0 3 225.379 0.761 20 0 BCADHN CCN1CCN(C[C@@H](O)COC(C)C)C[C@@H]1C ZINC000223331667 355369123 /nfs/dbraw/zinc/36/91/23/355369123.db2.gz NPGLDURBODNWFW-QWHCGFSZSA-N 0 3 244.379 0.798 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623236720 355371025 /nfs/dbraw/zinc/37/10/25/355371025.db2.gz DUUKMNBZJROICD-KCJUWKMLSA-N 0 3 247.298 0.163 20 0 BCADHN CC[C@](C)(CN1CC(C)(C(N)=O)C1)OC ZINC000639282416 355378391 /nfs/dbraw/zinc/37/83/91/355378391.db2.gz QCIOFWXSPLEKKG-LLVKDONJSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@H](C)[C@H](CN1CC(C)(C(N)=O)C1)OC ZINC000639283962 355380922 /nfs/dbraw/zinc/38/09/22/355380922.db2.gz YPIVAARUAIAORY-UWVGGRQHSA-N 0 3 228.336 0.855 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cnn(C)c2)CCN1C ZINC000335740583 355389778 /nfs/dbraw/zinc/38/97/78/355389778.db2.gz LJWWKXWODCPZGY-GXSJLCMTSA-N 0 3 236.319 0.633 20 0 BCADHN C[C@@H]1CN(Cc2cnc(N)nc2N)[C@@H](C)[C@H]1C ZINC000639270408 355338801 /nfs/dbraw/zinc/33/88/01/355338801.db2.gz GJVUIUHFDSHMOH-VGMNWLOBSA-N 0 3 235.335 0.778 20 0 BCADHN CN1CC[C@@H](C(=O)Nc2cc(CCO)ccn2)C1 ZINC000583509961 355347411 /nfs/dbraw/zinc/34/74/11/355347411.db2.gz COEPUBGUFKQGQQ-LLVKDONJSA-N 0 3 249.314 0.507 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@H](C)OC ZINC000191209872 355348069 /nfs/dbraw/zinc/34/80/69/355348069.db2.gz FSKKGWHFOAFPSN-IUCAKERBSA-N 0 3 223.338 0.434 20 0 BCADHN CO[C@]1(CN2CC[C@@H](NC(C)=O)C2)CCOC1 ZINC000639275802 355352143 /nfs/dbraw/zinc/35/21/43/355352143.db2.gz XNRNPMMOEYDWPC-NEPJUHHUSA-N 0 3 242.319 0.002 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2cc(C)no2)C1 ZINC000639276005 355353530 /nfs/dbraw/zinc/35/35/30/355353530.db2.gz LFCTUZXOYXFTTA-VIFPVBQESA-N 0 3 223.276 0.551 20 0 BCADHN CCC[C@H](CC)Nc1nc(N)nc(N)n1 ZINC000623902745 355355489 /nfs/dbraw/zinc/35/54/89/355355489.db2.gz OZKSXJYYVGYWPF-LURJTMIESA-N 0 3 210.285 0.109 20 0 BCADHN O=C([C@@H]1CCCN1C1CC1)N1CC[C@@H](CO)C1 ZINC000335778575 355404891 /nfs/dbraw/zinc/40/48/91/355404891.db2.gz QOTZOXHVMXLRBJ-PWSUYJOCSA-N 0 3 238.331 0.454 20 0 BCADHN CN(C[C@H]1CCCN(C)C1)C(=O)C1(O)CCC1 ZINC000335778854 355405273 /nfs/dbraw/zinc/40/52/73/355405273.db2.gz HYLNOBORVQNZCQ-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@H](C(=O)N1CC(=O)N(C)C1)N(CC)CC ZINC000349699308 355413422 /nfs/dbraw/zinc/41/34/22/355413422.db2.gz AFOYKALRUKXDBD-SNVBAGLBSA-N 0 3 241.335 0.365 20 0 BCADHN CN(C(=O)CC(C)(C)O)[C@@H]1CCN(C2CC2)C1 ZINC000349735143 355425998 /nfs/dbraw/zinc/42/59/98/355425998.db2.gz NXIXMSZPECFTLA-LLVKDONJSA-N 0 3 240.347 0.843 20 0 BCADHN CC[C@H](N)C(=O)N1CCN(CC(F)F)CC1 ZINC000166386332 355396092 /nfs/dbraw/zinc/39/60/92/355396092.db2.gz GZXHTMZOAMIPFD-QMMMGPOBSA-N 0 3 235.278 0.133 20 0 BCADHN O=C1[C@H](N2CCN3CCC[C@H]3C2)CCN1C1CC1 ZINC000335811103 355496454 /nfs/dbraw/zinc/49/64/54/355496454.db2.gz UWYQKSDDXPEMBR-QWHCGFSZSA-N 0 3 249.358 0.530 20 0 BCADHN CN1CCC(CC(=O)N2CC(F)C2)CC1 ZINC000335812559 355499333 /nfs/dbraw/zinc/49/93/33/355499333.db2.gz NVXGHUWBTGXLBS-UHFFFAOYSA-N 0 3 214.284 0.899 20 0 BCADHN C[C@H]1CCCN1CCN1CCCS1(=O)=O ZINC000335795861 355451928 /nfs/dbraw/zinc/45/19/28/355451928.db2.gz MEHDVDQMJPEMFT-JTQLQIEISA-N 0 3 232.349 0.506 20 0 BCADHN C[C@H](O)[C@@H]1CCCCN1CC(=O)N1CCC1 ZINC000335798734 355457530 /nfs/dbraw/zinc/45/75/30/355457530.db2.gz NPNJXCJJJUVWHC-QWRGUYRKSA-N 0 3 226.320 0.454 20 0 BCADHN CC[C@@H](NCC[C@@H](O)COC)c1ccn(C)n1 ZINC000349777805 355459539 /nfs/dbraw/zinc/45/95/39/355459539.db2.gz QNGNTZZBUSAUDH-GHMZBOCLSA-N 0 3 241.335 0.858 20 0 BCADHN CC(C)N(C)C[C@H](C)NS(=O)(=O)N1CCC1 ZINC000349783918 355461305 /nfs/dbraw/zinc/46/13/05/355461305.db2.gz NVOISJODXFTXSA-JTQLQIEISA-N 0 3 249.380 0.255 20 0 BCADHN Cc1c[nH]cc(C(=O)NCCCN(C)C)c1=O ZINC000349802839 355465816 /nfs/dbraw/zinc/46/58/16/355465816.db2.gz DLNYPOAINSSYTC-UHFFFAOYSA-N 0 3 237.303 0.365 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)N2CCc3ccccc32)C1 ZINC000040630621 358496833 /nfs/dbraw/zinc/49/68/33/358496833.db2.gz OMGMGZSRFXVEQH-NWDGAFQWSA-N 0 3 246.310 0.953 20 0 BCADHN C[C@@H]1SCC[C@@H]1NCc1cnc(N)nc1N ZINC000639291257 355468679 /nfs/dbraw/zinc/46/86/79/355468679.db2.gz YHUSRRNUFPPGLE-XPUUQOCRSA-N 0 3 239.348 0.285 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)Nc2nc(C)cs2)C1 ZINC000040630872 358496937 /nfs/dbraw/zinc/49/69/37/358496937.db2.gz FIXGVYZLQYGQGS-JGVFFNPUSA-N 0 3 241.316 0.767 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CC1 ZINC000335802979 355472537 /nfs/dbraw/zinc/47/25/37/355472537.db2.gz JBTQAFWOFSCTPP-KCJUWKMLSA-N 0 3 223.320 0.931 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)CC(C)(C)O ZINC000349850120 355479289 /nfs/dbraw/zinc/47/92/89/355479289.db2.gz DTAOWLLMTMWZCK-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@H](F)CCN1CCc2c(ncn(C)c2=O)C1 ZINC000335810226 355485046 /nfs/dbraw/zinc/48/50/46/355485046.db2.gz JDDJARZLNIPMFC-VIFPVBQESA-N 0 3 239.294 0.887 20 0 BCADHN CNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000335810499 355486003 /nfs/dbraw/zinc/48/60/03/355486003.db2.gz DMCFZQQSRKPTQQ-LLVKDONJSA-N 0 3 241.335 0.559 20 0 BCADHN c1cnn([C@H]2CCN(CCn3cncn3)C2)c1 ZINC000583547658 355536200 /nfs/dbraw/zinc/53/62/00/355536200.db2.gz CBEIFJSKQWTNKI-NSHDSACASA-N 0 3 232.291 0.422 20 0 BCADHN CN(CCCCO)[C@H]1CCN(C2CC2)C1=O ZINC000349954751 355536305 /nfs/dbraw/zinc/53/63/05/355536305.db2.gz NWQZKDSQUQGRGJ-NSHDSACASA-N 0 3 226.320 0.454 20 0 BCADHN CN(C(=O)NC1CCN(C)CC1)C1CC(O)C1 ZINC000335821707 355541134 /nfs/dbraw/zinc/54/11/34/355541134.db2.gz DXSBCNWNSYGKNB-UHFFFAOYSA-N 0 3 241.335 0.245 20 0 BCADHN CC(C)OCC[C@H](O)CN1C[C@H](O)C2(CC2)C1 ZINC000349873181 355513990 /nfs/dbraw/zinc/51/39/90/355513990.db2.gz DEWADEVFRVFWQM-RYUDHWBXSA-N 0 3 243.347 0.619 20 0 BCADHN CO[C@H]1CCN(C[C@H](O)CCOC(C)C)C1 ZINC000349892421 355520494 /nfs/dbraw/zinc/52/04/94/355520494.db2.gz MVRSJAKIJVGEFN-NEPJUHHUSA-N 0 3 231.336 0.883 20 0 BCADHN CO[C@H]1CCN(C[C@@H](O)CCOC(C)C)C1 ZINC000349892424 355520536 /nfs/dbraw/zinc/52/05/36/355520536.db2.gz MVRSJAKIJVGEFN-RYUDHWBXSA-N 0 3 231.336 0.883 20 0 BCADHN N=C(NO)[C@@H]1CCCCN1CCn1cncn1 ZINC000368646937 181199897 /nfs/dbraw/zinc/19/98/97/181199897.db2.gz YFIBQBKDTABALJ-VIFPVBQESA-N 0 3 238.295 0.089 20 0 BCADHN N=C(NO)[C@H]1CCCCN1Cc1ccon1 ZINC000368525382 181200022 /nfs/dbraw/zinc/20/00/22/181200022.db2.gz CQNAZAJBNVKIKZ-SECBINFHSA-N 0 3 224.264 0.985 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N(C)C(C)(C)C ZINC000583562746 355613246 /nfs/dbraw/zinc/61/32/46/355613246.db2.gz JXDGMJJLNNAVPN-MRVPVSSYSA-N 0 3 229.324 0.951 20 0 BCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CC(C)(C)O ZINC000335837005 355564549 /nfs/dbraw/zinc/56/45/49/355564549.db2.gz UHDKNIALXCFOLA-GHMZBOCLSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H](O)CCN1CCC[C@@H](N2CCCC2=O)C1 ZINC000584347157 355571806 /nfs/dbraw/zinc/57/18/06/355571806.db2.gz HFEAOIJHIFMIAU-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN Cn1ccc(CN2CCNC[C@H]2C(F)F)n1 ZINC000582181139 355645340 /nfs/dbraw/zinc/64/53/40/355645340.db2.gz IGBNBLOMMUKGPI-VIFPVBQESA-N 0 3 230.262 0.459 20 0 BCADHN CC(C)[C@@H](O)CCNC[C@@H](O)C(F)(F)F ZINC000583565036 355647099 /nfs/dbraw/zinc/64/70/99/355647099.db2.gz NWQCXDQFHASCFN-JGVFFNPUSA-N 0 3 229.242 0.906 20 0 BCADHN C[C@H](N[C@H]1CCNC1=O)[C@@H]1CC1(F)F ZINC000639304030 355658354 /nfs/dbraw/zinc/65/83/54/355658354.db2.gz VFVPRWBBFNIHNJ-ACZMJKKPSA-N 0 3 204.220 0.508 20 0 BCADHN CCO[C@@H]1C[C@@H](NC/C=C\CO)[C@]12CCCO2 ZINC000639307610 355662471 /nfs/dbraw/zinc/66/24/71/355662471.db2.gz CZPASISRLYSPHY-DXELUQJMSA-N 0 3 241.331 0.851 20 0 BCADHN O=c1c(CNC/C=C\CO)cccn1C(F)F ZINC000639308774 355664389 /nfs/dbraw/zinc/66/43/89/355664389.db2.gz OKBPGSCQFVAGEK-UPHRSURJSA-N 0 3 244.241 0.882 20 0 BCADHN CC[C@](C)(CNCc1nc(COC)n[nH]1)OC ZINC000639309450 355665764 /nfs/dbraw/zinc/66/57/64/355665764.db2.gz AVRXSWPWCXVJOG-LLVKDONJSA-N 0 3 242.323 0.856 20 0 BCADHN Cn1ncnc1CN[C@H]1CCN(C(C)(C)C)C1 ZINC000639305419 355667236 /nfs/dbraw/zinc/66/72/36/355667236.db2.gz QXNXXZZYVRPDNC-JTQLQIEISA-N 0 3 237.351 0.778 20 0 BCADHN CN(CCCN1CCCC1)S(C)(=O)=O ZINC000350312546 355668129 /nfs/dbraw/zinc/66/81/29/355668129.db2.gz CHXLTDRYRWKZRX-UHFFFAOYSA-N 0 3 220.338 0.364 20 0 BCADHN C[C@@H](CCO)NC(=O)NCCN(C)C1CC1 ZINC000350313042 355668160 /nfs/dbraw/zinc/66/81/60/355668160.db2.gz DXZQPZMOROHUQE-VIFPVBQESA-N 0 3 229.324 0.151 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)C(C)S(C)(=O)=O)C1 ZINC000350313982 355669184 /nfs/dbraw/zinc/66/91/84/355669184.db2.gz AENVTWUFNUUCGL-XHNCKOQMSA-N 0 3 249.332 0.103 20 0 BCADHN CCC(CC)CN1CCOC[C@H]1CC(N)=O ZINC000449767354 202026303 /nfs/dbraw/zinc/02/63/03/202026303.db2.gz DHZWDDRPLPVESV-LLVKDONJSA-N 0 3 228.336 0.999 20 0 BCADHN NC(=O)N[C@H]1CCN(CCn2cccn2)C1 ZINC000330532028 181204117 /nfs/dbraw/zinc/20/41/17/181204117.db2.gz STPWJEFSDYWZNQ-VIFPVBQESA-N 0 3 223.280 0.040 20 0 BCADHN CN(C(=O)Cc1ccon1)[C@@H]1CN2CCC1CC2 ZINC000335866370 355631211 /nfs/dbraw/zinc/63/12/11/355631211.db2.gz YAMZGWFSEOHYAO-GFCCVEGCSA-N 0 3 249.314 0.770 20 0 BCADHN C[C@@]1(CNCc2cnc(N)nc2N)CC1(F)F ZINC000639315665 355707017 /nfs/dbraw/zinc/70/70/17/355707017.db2.gz LHFWGVFWODPBJW-VIFPVBQESA-N 0 3 243.261 0.437 20 0 BCADHN CC(C)(F)CCNCc1cnc(N)nc1N ZINC000639315440 355707055 /nfs/dbraw/zinc/70/70/55/355707055.db2.gz DDLCUWJOZWWIFO-UHFFFAOYSA-N 0 3 227.287 0.530 20 0 BCADHN CC[C@H]1CC[C@H](C(=O)N2CCCNCC2)O1 ZINC000335892967 355686700 /nfs/dbraw/zinc/68/67/00/355686700.db2.gz QTFJGWGGVKWOQR-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1COCCN1CCN1CC[C@H](CO)C1 ZINC000191506733 355735063 /nfs/dbraw/zinc/73/50/63/355735063.db2.gz JCNPDUBXRKYLQN-NEPJUHHUSA-N 0 3 228.336 0.021 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H](O)C1 ZINC000350635099 355735770 /nfs/dbraw/zinc/73/57/70/355735770.db2.gz YODMWZWKMJINLH-OUAUKWLOSA-N 0 3 226.320 0.452 20 0 BCADHN CNC(=O)CN(C)CC1CCSCC1 ZINC000639333073 355761365 /nfs/dbraw/zinc/76/13/65/355761365.db2.gz RZBUWAGZRRLWMM-UHFFFAOYSA-N 0 3 216.350 0.807 20 0 BCADHN CC[C@](C)(CN1CCN(C)C[C@H]1CO)OC ZINC000639334765 355764842 /nfs/dbraw/zinc/76/48/42/355764842.db2.gz VYWSWLPZDVSBRC-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN CN1CCN(CC2CCSCC2)[C@@H](CO)C1 ZINC000639334712 355765246 /nfs/dbraw/zinc/76/52/46/355765246.db2.gz VARUGMRJEFDRPV-GFCCVEGCSA-N 0 3 244.404 0.738 20 0 BCADHN CC[C@@H](C)[C@H](CN[C@H]1CCNC1=O)OC ZINC000639336344 355771320 /nfs/dbraw/zinc/77/13/20/355771320.db2.gz BQEXMSYVQFZSEH-UTLUCORTSA-N 0 3 214.309 0.526 20 0 BCADHN CN1CCN(CC[C@H]2CCOC2)[C@@H](CO)C1 ZINC000639337205 355775698 /nfs/dbraw/zinc/77/56/98/355775698.db2.gz PWVDICDBRYLKRJ-NWDGAFQWSA-N 0 3 228.336 0.021 20 0 BCADHN C[C@@H]([C@H]1CCCCO1)N(CCO)CCO ZINC000639343925 355787168 /nfs/dbraw/zinc/78/71/68/355787168.db2.gz PHLGRNTYICIIBU-WDEREUQCSA-N 0 3 217.309 0.231 20 0 BCADHN CCn1nncc1CNC1CC(n2cccn2)C1 ZINC000639344222 355787648 /nfs/dbraw/zinc/78/76/48/355787648.db2.gz WVGBDQWISPKCAU-UHFFFAOYSA-N 0 3 246.318 0.988 20 0 BCADHN C[C@@H]([C@@H]1CC1(F)F)N(CCO)CCO ZINC000639343907 355787706 /nfs/dbraw/zinc/78/77/06/355787706.db2.gz OWXYIWNARARSIO-YUMQZZPRSA-N 0 3 209.236 0.317 20 0 BCADHN Cn1ncnc1CNC[C@@H]1CCN1C1CCCC1 ZINC000639352848 355801641 /nfs/dbraw/zinc/80/16/41/355801641.db2.gz 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SUYXKNYPUHBLCA-GHMZBOCLSA-N 0 3 228.336 0.901 20 0 BCADHN C[C@]12CN(CC3(F)CC3)C[C@]1(C)C(=O)NC2=O ZINC000639365936 355841616 /nfs/dbraw/zinc/84/16/16/355841616.db2.gz SVMGMBOAIYSZQS-GHMZBOCLSA-N 0 3 240.278 0.473 20 0 BCADHN COC[C@@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000399171834 355845256 /nfs/dbraw/zinc/84/52/56/355845256.db2.gz GNOFFSUHPROHQW-VXNVDRBHSA-N 0 3 200.282 0.265 20 0 BCADHN COc1cccc(C[C@H](C)NCc2cn[nH]n2)n1 ZINC000628363593 355849193 /nfs/dbraw/zinc/84/91/93/355849193.db2.gz PZJCQPRPHRAYQT-VIFPVBQESA-N 0 3 247.302 0.929 20 0 BCADHN CC(C)NS(=O)(=O)NCCCN1CCCC1 ZINC000352094495 134061413 /nfs/dbraw/zinc/06/14/13/134061413.db2.gz BDCVGRLCEPSXLJ-UHFFFAOYSA-N 0 3 249.380 0.305 20 0 BCADHN COc1ccc(CN[C@@H](C)C[S@](C)=O)cn1 ZINC000166813774 355850925 /nfs/dbraw/zinc/85/09/25/355850925.db2.gz MCJJQKOVIKCTPG-XXFAHNHDSA-N 0 3 242.344 0.947 20 0 BCADHN FCC1(CF)CC(NCc2cn[nH]n2)C1 ZINC000628364392 355851689 /nfs/dbraw/zinc/85/16/89/355851689.db2.gz YGQVNMUJHVTBJW-UHFFFAOYSA-N 0 3 216.235 0.982 20 0 BCADHN C[C@H](NCc1ccc(=O)[nH]c1)C(=O)NCCF ZINC000631127882 355856378 /nfs/dbraw/zinc/85/63/78/355856378.db2.gz IPOVBICRLJPVOX-QMMMGPOBSA-N 0 3 241.266 0.351 20 0 BCADHN CN(CC1=CCCOC1)[C@H]1CCC(=O)N(C)C1 ZINC000628368600 355864345 /nfs/dbraw/zinc/86/43/45/355864345.db2.gz OOIICMFGWYCRSV-LBPRGKRZSA-N 0 3 238.331 0.886 20 0 BCADHN CO[C@H](CNC1(C)COC1)[C@@H]1CCOC1 ZINC000639381124 355918213 /nfs/dbraw/zinc/91/82/13/355918213.db2.gz QBNUGTAUYUMAST-NXEZZACHSA-N 0 3 215.293 0.416 20 0 BCADHN CCCN(CC(=O)N1CCN(C)CC1)C(C)C ZINC000583639369 355941019 /nfs/dbraw/zinc/94/10/19/355941019.db2.gz FJCPSKRLMAJOOK-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCc1cnc(N(C)C)n1C ZINC000166905598 355936981 /nfs/dbraw/zinc/93/69/81/355936981.db2.gz WYOPRKQOPJZRJT-VHSXEESVSA-N 0 3 240.351 0.593 20 0 BCADHN C[C@H](Cc1ccoc1)N(CCO)CCO ZINC000628370232 355880205 /nfs/dbraw/zinc/88/02/05/355880205.db2.gz GDPLBSRMSJMATJ-SNVBAGLBSA-N 0 3 213.277 0.497 20 0 BCADHN 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/nfs/dbraw/zinc/11/52/11/356115211.db2.gz UTTQURWKOBPHGH-NSHDSACASA-N 0 3 241.335 0.017 20 0 BCADHN CCN(C(=O)CN(C)C(C)C)[C@@H]1CCN(C)C1 ZINC000617556290 356117458 /nfs/dbraw/zinc/11/74/58/356117458.db2.gz NJZKVOJUOPVGOV-GFCCVEGCSA-N 0 3 241.379 0.879 20 0 BCADHN CCN(C(=O)CN(C)C(C)C)[C@H]1CCN(C)C1 ZINC000617556291 356117675 /nfs/dbraw/zinc/11/76/75/356117675.db2.gz NJZKVOJUOPVGOV-LBPRGKRZSA-N 0 3 241.379 0.879 20 0 BCADHN CCN(C(=O)c1ccc(C)nn1)[C@@H]1CCN(C)C1 ZINC000617562047 356118925 /nfs/dbraw/zinc/11/89/25/356118925.db2.gz ZPGSOESSIBFNJJ-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN CCN(C(=O)[C@H](C)NC(C)=O)[C@H]1CCN(C)C1 ZINC000617560684 356121261 /nfs/dbraw/zinc/12/12/61/356121261.db2.gz VLCVNSIASDMJLC-ONGXEEELSA-N 0 3 241.335 0.064 20 0 BCADHN CCC(CC)(CC(=O)OC)NCC(=O)N(C)C ZINC000351715180 356068273 /nfs/dbraw/zinc/06/82/73/356068273.db2.gz HPTJPDWIMQFTCP-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN CC[C@@H](C)CN(C)c1nc(N)nc(N)n1 ZINC000623960738 356077614 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ZINC000358100773 356860452 /nfs/dbraw/zinc/86/04/52/356860452.db2.gz QDAHCYNYGWSFNX-MRVPVSSYSA-N 0 3 240.307 0.289 20 0 BCADHN CCn1cncc1CNCCN1CC[C@@H](O)C1 ZINC000623759223 356861138 /nfs/dbraw/zinc/86/11/38/356861138.db2.gz CURQPSFQTJCTAB-GFCCVEGCSA-N 0 3 238.335 0.059 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000352799156 538726763 /nfs/dbraw/zinc/72/67/63/538726763.db2.gz FIOBODVYCMUHAD-IJLUTSLNSA-N 0 3 239.363 0.809 20 0 BCADHN C[C@@H]1[C@H](NCc2cc[nH]c2)CCS1(=O)=O ZINC000389692729 356865536 /nfs/dbraw/zinc/86/55/36/356865536.db2.gz IAKXGZKASPFADQ-PSASIEDQSA-N 0 3 228.317 0.680 20 0 BCADHN CC[C@@H](O)CCCNC(=O)C1CCN(C)CC1 ZINC000360311441 356905483 /nfs/dbraw/zinc/90/54/83/356905483.db2.gz VBGGKKGQBCDUHN-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](N)CC)C1 ZINC000089069484 356917292 /nfs/dbraw/zinc/91/72/92/356917292.db2.gz BOBXGEDDHBDAIB-NXEZZACHSA-N 0 3 242.319 0.525 20 0 BCADHN CCC[C@@H](O)CN[C@@H](C(N)=O)C(C)(C)C ZINC000450566834 202199312 /nfs/dbraw/zinc/19/93/12/202199312.db2.gz XNSCKUKJAZHIRR-BDAKNGLRSA-N 0 3 216.325 0.637 20 0 BCADHN CC(C)CC[C@H](O)CN1CC[C@@H](O)C1 ZINC000361274006 356924405 /nfs/dbraw/zinc/92/44/05/356924405.db2.gz PWLYDRWABNLSHU-WDEREUQCSA-N 0 3 201.310 0.850 20 0 BCADHN C[C@@H](N[C@@H](CO)C1CCOCC1)c1ncc[nH]1 ZINC000353592093 538751676 /nfs/dbraw/zinc/75/16/76/538751676.db2.gz JFCIUVCCURUWJO-KOLCDFICSA-N 0 3 239.319 0.848 20 0 BCADHN COC(=O)[C@H](NC(=O)CNC1CC1)C(C)C ZINC000040420317 356937222 /nfs/dbraw/zinc/93/72/22/356937222.db2.gz WLURCMYCKLJVOI-SNVBAGLBSA-N 0 3 228.292 0.052 20 0 BCADHN CCN(C)C(=O)CCN[C@](C)(CCO)COC ZINC000130660385 325077461 /nfs/dbraw/zinc/07/74/61/325077461.db2.gz XIXNCIJBMYBWFY-GFCCVEGCSA-N 0 3 246.351 0.232 20 0 BCADHN Cc1cccc(S(=O)(=O)[N-]CC[NH3+])c1F ZINC000193225890 356896858 /nfs/dbraw/zinc/89/68/58/356896858.db2.gz QRSPSWLAYJYDRG-UHFFFAOYSA-N 0 3 232.280 0.371 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)C1(C)COC1 ZINC000359923343 356898459 /nfs/dbraw/zinc/89/84/59/356898459.db2.gz WFGQLBUUBSMBBL-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)CCOCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000582264331 356961424 /nfs/dbraw/zinc/96/14/24/356961424.db2.gz FVLBMKCDSPNJQF-STQMWFEESA-N 0 3 245.363 0.724 20 0 BCADHN CCC(C)(C)CCN1CCN(C(=O)CO)CC1 ZINC000348294109 535351590 /nfs/dbraw/zinc/35/15/90/535351590.db2.gz TURSGLNIMLHRMF-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN CCN1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000368863204 356979519 /nfs/dbraw/zinc/97/95/19/356979519.db2.gz PCIBZIHOVCERBO-SECBINFHSA-N 0 3 238.291 0.722 20 0 BCADHN CCC[C@H](O)CNC1(C(N)=O)CCCCC1 ZINC000450581566 202204054 /nfs/dbraw/zinc/20/40/54/202204054.db2.gz OXZUNJOOBIEBGI-JTQLQIEISA-N 0 3 228.336 0.925 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCN(C)C[C@@H]1CO ZINC000639866610 356982391 /nfs/dbraw/zinc/98/23/91/356982391.db2.gz GQBXAGOLDMZGNR-SDDRHHMPSA-N 0 3 228.336 0.020 20 0 BCADHN COCCCCN1CCN(C)C[C@@H]1CO ZINC000639867164 356989622 /nfs/dbraw/zinc/98/96/22/356989622.db2.gz KTPIQQCJJCNRNR-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN CCN1CCCN(C(=O)[C@H](C)COC)CC1 ZINC000363014854 356951955 /nfs/dbraw/zinc/95/19/55/356951955.db2.gz PGHRUHFBZPQUFO-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000020940144 357022991 /nfs/dbraw/zinc/02/29/91/357022991.db2.gz NFMRODFFVDFZBR-SNVBAGLBSA-N 0 3 241.335 0.052 20 0 BCADHN CC(C)NC(=S)N[C@@H]1CCN(C)C1 ZINC000053528412 357030722 /nfs/dbraw/zinc/03/07/22/357030722.db2.gz XOYIGNPYUONJPJ-MRVPVSSYSA-N 0 3 201.339 0.563 20 0 BCADHN NC(=O)NC(=O)CN1CCC2(C1)CCCCC2 ZINC000129910592 357036076 /nfs/dbraw/zinc/03/60/76/357036076.db2.gz KTTPTKQFHRMJAT-UHFFFAOYSA-N 0 3 239.319 0.838 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H](C)[C@@H]1CCCO1 ZINC000582301170 357037987 /nfs/dbraw/zinc/03/79/87/357037987.db2.gz VUUUSCAVAIOLEH-CHWFTXMASA-N 0 3 215.293 0.557 20 0 BCADHN CN1CCN(CC[C@H]2CCCO2)[C@H](CO)C1 ZINC000639871919 357039400 /nfs/dbraw/zinc/03/94/00/357039400.db2.gz MGRSYQCCJGJHSH-NWDGAFQWSA-N 0 3 228.336 0.164 20 0 BCADHN CCC[C@H](O)CN1CCSC[C@H]1CO ZINC000450647483 202212873 /nfs/dbraw/zinc/21/28/73/202212873.db2.gz WUQVHRLRUPIXBB-ZJUUUORDSA-N 0 3 219.350 0.557 20 0 BCADHN CC(=O)N1CC(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000582311568 357051260 /nfs/dbraw/zinc/05/12/60/357051260.db2.gz PXEGNHVHSJATNX-QJPTWQEYSA-N 0 3 238.331 0.620 20 0 BCADHN Cc1nc(CN[C@H]2C[C@H](O)C2(C)C)n[nH]1 ZINC000389839204 357053354 /nfs/dbraw/zinc/05/33/54/357053354.db2.gz HMWFIWASBIHCOZ-YUMQZZPRSA-N 0 3 210.281 0.362 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](N)CC)[C@H]1CCCO1 ZINC000390546518 357103215 /nfs/dbraw/zinc/10/32/15/357103215.db2.gz NAHWCPIYKSOLOR-IVZWLZJFSA-N 0 3 214.309 0.798 20 0 BCADHN CC1(C)CC(NC[C@H]2CS(=O)(=O)CCO2)C1 ZINC000390654457 357109502 /nfs/dbraw/zinc/10/95/02/357109502.db2.gz QFKSFRCXCKJHCF-JTQLQIEISA-N 0 3 247.360 0.578 20 0 BCADHN COC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC000582369269 357110574 /nfs/dbraw/zinc/11/05/74/357110574.db2.gz HHQRVNVKRZYANL-NXEZZACHSA-N 0 3 214.309 0.479 20 0 BCADHN COC(=O)N1CC(N[C@@H](C)[C@H](C)OC)C1 ZINC000389936897 357071035 /nfs/dbraw/zinc/07/10/35/357071035.db2.gz NGNCGUROFCIILX-YUMQZZPRSA-N 0 3 216.281 0.450 20 0 BCADHN Cc1ccc(CNC[C@@]2(O)CCOC2)cn1 ZINC000156441486 538779802 /nfs/dbraw/zinc/77/98/02/538779802.db2.gz KDPWIQPPXFAWGT-LBPRGKRZSA-N 0 3 222.288 0.631 20 0 BCADHN Nc1nc(N)nc(N2CCC[C@H]2C2CCC2)n1 ZINC000623935824 357077793 /nfs/dbraw/zinc/07/77/93/357077793.db2.gz RKFWYSCMVMCRMO-QMMMGPOBSA-N 0 3 234.307 0.466 20 0 BCADHN CCCNC(=O)CN1CCCC[C@H]1C1(O)CC1 ZINC000582346029 357087746 /nfs/dbraw/zinc/08/77/46/357087746.db2.gz FOQSNCRNVZZUBY-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN NC(=O)c1cc(N2CCN3CCC2CC3)ccn1 ZINC000302757888 181290315 /nfs/dbraw/zinc/29/03/15/181290315.db2.gz JGUOOZTXTCQDSR-UHFFFAOYSA-N 0 3 246.314 0.465 20 0 BCADHN CC(C)CN1CCN([C@@H]2COC[C@@H]2O)CC1 ZINC000304235505 357160057 /nfs/dbraw/zinc/16/00/57/357160057.db2.gz MBYXRTGSMRSKQM-NEPJUHHUSA-N 0 3 228.336 0.020 20 0 BCADHN COC(=O)CCCCC(=O)N1CCCNCC1 ZINC000390822964 357117308 /nfs/dbraw/zinc/11/73/08/357117308.db2.gz OLKDUYLBMKAAIB-UHFFFAOYSA-N 0 3 242.319 0.542 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC(=O)N(CC)C1 ZINC000391571041 357131008 /nfs/dbraw/zinc/13/10/08/357131008.db2.gz MFDREBHRMFMFIX-QXEWZRGKSA-N 0 3 241.335 0.097 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N1CC[C@H](CO)C1 ZINC000305718075 357203124 /nfs/dbraw/zinc/20/31/24/357203124.db2.gz VAQAZUKHCBJBRK-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN Cc1ncccc1CN[C@@H]1COCC[C@H]1O ZINC000631258248 357220805 /nfs/dbraw/zinc/22/08/05/357220805.db2.gz PSSWUHCQBJAPFH-VXGBXAGGSA-N 0 3 222.288 0.629 20 0 BCADHN CC[C@@H](O)CCNC(=O)CN(C)C(C)C ZINC000305078461 357181683 /nfs/dbraw/zinc/18/16/83/357181683.db2.gz PAVUJJZVAOOLGF-SNVBAGLBSA-N 0 3 216.325 0.604 20 0 BCADHN CCNC(=O)N1CC[C@H](NCC2(F)CC2)C1 ZINC000393813826 357301241 /nfs/dbraw/zinc/30/12/41/357301241.db2.gz TXNZLYHVWAYTQU-VIFPVBQESA-N 0 3 229.299 0.882 20 0 BCADHN COCCNCCNC(=O)C1CC(C)C1 ZINC000393813611 357301255 /nfs/dbraw/zinc/30/12/55/357301255.db2.gz SUHSVOQSWLVRGF-UHFFFAOYSA-N 0 3 214.309 0.385 20 0 BCADHN CN(CCOCC1CC1)[C@]1(CO)CCOC1 ZINC000359581218 134195851 /nfs/dbraw/zinc/19/58/51/134195851.db2.gz WJOCSIVTKVVIGY-LBPRGKRZSA-N 0 3 229.320 0.496 20 0 BCADHN CC[C@@H]1CN(C)CCN1CC[C@@H](C)O ZINC000582722054 357371700 /nfs/dbraw/zinc/37/17/00/357371700.db2.gz NBUATDBQFRRHBN-GHMZBOCLSA-N 0 3 200.326 0.783 20 0 BCADHN CCNC(=O)CCN1CCCO[C@H](CF)C1 ZINC000583701751 357313046 /nfs/dbraw/zinc/31/30/46/357313046.db2.gz ZTSNJGSMPCIQMZ-SNVBAGLBSA-N 0 3 232.299 0.573 20 0 BCADHN CC1(C(N)=O)CN(CC[C@@H]2CCOC2)C1 ZINC000582484569 357317690 /nfs/dbraw/zinc/31/76/90/357317690.db2.gz NBMLHYUYLSXBEU-SECBINFHSA-N 0 3 212.293 0.220 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCCO1 ZINC000040458657 357324744 /nfs/dbraw/zinc/32/47/44/357324744.db2.gz UTBVMBYQZDEVFN-DTWKUNHWSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@@H](C)[C@@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000582519847 357324789 /nfs/dbraw/zinc/32/47/89/357324789.db2.gz SZPIJVMLLAXGAD-OUAUKWLOSA-N 0 3 243.351 0.803 20 0 BCADHN CCOC1(C)CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000582557543 357344784 /nfs/dbraw/zinc/34/47/84/357344784.db2.gz YSZSXFMMLFOCEE-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN Cc1nc(CNC[C@@]2(O)CCN(C)C2)[nH]c1C ZINC000582617877 357354306 /nfs/dbraw/zinc/35/43/06/357354306.db2.gz RGBCMGQNDSGDEW-LBPRGKRZSA-N 0 3 238.335 0.183 20 0 BCADHN C[C@@H](CNCC1(CCO)CC1)S(C)(=O)=O ZINC000582666131 357358596 /nfs/dbraw/zinc/35/85/96/357358596.db2.gz IPCWWCOEZAFOIV-VIFPVBQESA-N 0 3 235.349 0.172 20 0 BCADHN COCC[C@@H](CO)N[C@H](C)c1cncnc1C ZINC000582676275 357362393 /nfs/dbraw/zinc/36/23/93/357362393.db2.gz FGRYMFUHEYWKRV-MNOVXSKESA-N 0 3 239.319 0.833 20 0 BCADHN COCC[C@H](CO)N[C@@H](C)c1cncnc1C ZINC000582676278 357362559 /nfs/dbraw/zinc/36/25/59/357362559.db2.gz FGRYMFUHEYWKRV-WDEREUQCSA-N 0 3 239.319 0.833 20 0 BCADHN C[C@@H](N[C@@H]1CCO[C@H]1c1ccccc1)C(N)=O ZINC000639905157 357386759 /nfs/dbraw/zinc/38/67/59/357386759.db2.gz WETBFRCMULTVPH-JLLWLGSASA-N 0 3 234.299 0.980 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H](O)CN(C)C1CC1 ZINC000582780437 357390715 /nfs/dbraw/zinc/39/07/15/357390715.db2.gz PKQAUIMRSMWOPO-GFCCVEGCSA-N 0 3 238.335 0.263 20 0 BCADHN Nc1ccncc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000582787160 357395178 /nfs/dbraw/zinc/39/51/78/357395178.db2.gz ZTWCRYZYMJUWEI-AOOOYVTPSA-N 0 3 246.314 0.461 20 0 BCADHN C[C@H](NC(=O)CN1CC[C@@H](C)C1)[C@H]1CCOC1 ZINC000582853562 357420685 /nfs/dbraw/zinc/42/06/85/357420685.db2.gz AWJFLGWCZGWLEN-WOPDTQHZSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H](CCS(C)(=O)=O)N[C@@H]1COC(C)(C)C1 ZINC000582857599 357421456 /nfs/dbraw/zinc/42/14/56/357421456.db2.gz WCWFNKKIUZWOCW-ZJUUUORDSA-N 0 3 249.376 0.967 20 0 BCADHN CC[C@H]1CCN(CC(=O)NCCCOC)C1 ZINC000131593456 325167789 /nfs/dbraw/zinc/16/77/89/325167789.db2.gz OQUQGJWWRFAIQM-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN [NH3+][C@H](C(=O)NCc1ncccc1[O-])C1CCC1 ZINC000582962017 357439387 /nfs/dbraw/zinc/43/93/87/357439387.db2.gz ANWVEKFVHSAEIR-NSHDSACASA-N 0 3 235.287 0.531 20 0 BCADHN CCOC[C@H](O)CN[C@H]1CCCc2c[nH]nc21 ZINC000583139087 357499347 /nfs/dbraw/zinc/49/93/47/357499347.db2.gz VLOWIHBZUHAXBV-MNOVXSKESA-N 0 3 239.319 0.774 20 0 BCADHN C[C@]1(CNC(=O)CNC2CC2)CCOC1 ZINC000397251400 357509989 /nfs/dbraw/zinc/50/99/89/357509989.db2.gz BXBSWGFCCLMKNY-LLVKDONJSA-N 0 3 212.293 0.281 20 0 BCADHN C[C@H](C[S@](C)=O)N[C@H]1COC(C)(C)C1 ZINC000396888363 357486659 /nfs/dbraw/zinc/48/66/59/357486659.db2.gz ILVRPFVYZTVHRN-NUPCCRGMSA-N 0 3 219.350 0.911 20 0 BCADHN COC[C@H](O)CNCc1cnc(C)cc1C ZINC000397029241 357489898 /nfs/dbraw/zinc/48/98/98/357489898.db2.gz OZQLBVQIACSSRX-GFCCVEGCSA-N 0 3 224.304 0.795 20 0 BCADHN COC1CC(N[C@@H](C)C(=O)N2CCCC2)C1 ZINC000230696636 357567833 /nfs/dbraw/zinc/56/78/33/357567833.db2.gz AZRKHMZRGYRWMI-WHXUTIOJSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](NC(=O)[C@H]1C[C@H](F)CN1)C1CCOCC1 ZINC000188617924 357567902 /nfs/dbraw/zinc/56/79/02/357567902.db2.gz KOPSKPJRJGNPKQ-INTQDDNPSA-N 0 3 244.310 0.618 20 0 BCADHN O=C(C1CCOCC1)N1CCN2CCC1CC2 ZINC000188603329 357568451 /nfs/dbraw/zinc/56/84/51/357568451.db2.gz QJTAAOQSOWYVTP-UHFFFAOYSA-N 0 3 238.331 0.720 20 0 BCADHN CCN(C)C(=O)CN[C@H](CCO)C(C)(C)C ZINC000230893365 357578129 /nfs/dbraw/zinc/57/81/29/357578129.db2.gz PTPRVHZBABSEAY-SNVBAGLBSA-N 0 3 230.352 0.851 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@]1(C)CCOC1 ZINC000397375592 357513484 /nfs/dbraw/zinc/51/34/84/357513484.db2.gz MDWVBUZOUCHVAB-SCZZXKLOSA-N 0 3 200.282 0.267 20 0 BCADHN C[C@@]1(O)CCCN(CC(=O)NC2CC2)CC1 ZINC000230378125 357532188 /nfs/dbraw/zinc/53/21/88/357532188.db2.gz QXGKPOUHGNCZED-GFCCVEGCSA-N 0 3 226.320 0.502 20 0 BCADHN COC(=O)[C@H]1C[C@H](O)CN1C[Si](C)(C)C ZINC000188600690 357541979 /nfs/dbraw/zinc/54/19/79/357541979.db2.gz DNSGEDPDMHLNMS-DTWKUNHWSA-N 0 3 231.368 0.472 20 0 BCADHN C[C@@H](CNCc1cn(C)nn1)N(C)C1CC1 ZINC000230656482 357545560 /nfs/dbraw/zinc/54/55/60/357545560.db2.gz QQWWPGJZSBHFEP-VIFPVBQESA-N 0 3 223.324 0.387 20 0 BCADHN C[C@@H]1CCN(CCc2ccnn2C)C[C@@H]1O ZINC000230887299 357576738 /nfs/dbraw/zinc/57/67/38/357576738.db2.gz ZAAQRVPLYFHXLY-PWSUYJOCSA-N 0 3 223.320 0.665 20 0 BCADHN Cn1ccc(CCNCc2cnn(C)c2)n1 ZINC000230883028 357576775 /nfs/dbraw/zinc/57/67/75/357576775.db2.gz WDMRUUKARBMTGD-UHFFFAOYSA-N 0 3 219.292 0.486 20 0 BCADHN CCOC(=O)CCN(C)CCc1ccnn1C ZINC000230886051 357577245 /nfs/dbraw/zinc/57/72/45/357577245.db2.gz NQKVNXZJTIXVGH-UHFFFAOYSA-N 0 3 239.319 0.848 20 0 BCADHN CCOC[C@H](C)N[C@H](C)C(=O)N(C)CC ZINC000188490851 357556411 /nfs/dbraw/zinc/55/64/11/357556411.db2.gz AZNFYRGNNHYCDF-VHSXEESVSA-N 0 3 216.325 0.868 20 0 BCADHN O=C([C@H]1C[C@H](F)CN1)N1C[C@@H]2CCC[C@H]2C1 ZINC000188572646 357562925 /nfs/dbraw/zinc/56/29/25/357562925.db2.gz SMOMHLJHMMOUOP-XWLWVQCSSA-N 0 3 226.295 0.945 20 0 BCADHN CC(C)n1cncc1CNCCCOCCO ZINC000230784044 357564832 /nfs/dbraw/zinc/56/48/32/357564832.db2.gz RTJBYPJPDYEZMV-UHFFFAOYSA-N 0 3 241.335 0.953 20 0 BCADHN CN1CCO[C@@H](CNCc2cncc(F)c2)C1 ZINC000230940289 357582603 /nfs/dbraw/zinc/58/26/03/357582603.db2.gz BSPRJAYATLHIMX-LBPRGKRZSA-N 0 3 239.294 0.641 20 0 BCADHN C[C@H]1C(=O)NCCCN1CCN1CCCCC1 ZINC000189319034 357631176 /nfs/dbraw/zinc/63/11/76/357631176.db2.gz FVWRHYOZBOEBTR-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN O=C(NC[C@H]1CCC[C@H](O)C1)[C@H]1C[C@H](F)CN1 ZINC000188917034 357590189 /nfs/dbraw/zinc/59/01/89/357590189.db2.gz VUZYIDQMJXZRAB-XWLWVQCSSA-N 0 3 244.310 0.354 20 0 BCADHN CC[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)[C@H]1CCCO1 ZINC000188979461 357598114 /nfs/dbraw/zinc/59/81/14/357598114.db2.gz KJAWENOMSJGQFB-LNFKQOIKSA-N 0 3 244.310 0.760 20 0 BCADHN Cc1ccnc(NCCOCCN(C)C)n1 ZINC000231208320 357599924 /nfs/dbraw/zinc/59/99/24/357599924.db2.gz LWIXITMXPDDXEF-UHFFFAOYSA-N 0 3 224.308 0.775 20 0 BCADHN OCCOCCN1CCC([C@@H]2CCCO2)CC1 ZINC000189148574 357606395 /nfs/dbraw/zinc/60/63/95/357606395.db2.gz UJDZCBNAKOGQQD-ZDUSSCGKSA-N 0 3 243.347 0.886 20 0 BCADHN O=C1NC[C@@H]2CN(CC[C@@H]3CCCO3)CCN12 ZINC000189523918 357642722 /nfs/dbraw/zinc/64/27/22/357642722.db2.gz CVQHKQAARSVDIG-MNOVXSKESA-N 0 3 239.319 0.265 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H](C)[C@@H](C)OC ZINC000189957009 357678143 /nfs/dbraw/zinc/67/81/43/357678143.db2.gz BTHXOANGKXMWLH-VHSXEESVSA-N 0 3 231.340 0.661 20 0 BCADHN COC(=O)[C@H]1[C@H](O)CCCN1C[Si](C)(C)C ZINC000189605304 357649777 /nfs/dbraw/zinc/64/97/77/357649777.db2.gz IVLFYAOYEFTCEK-NXEZZACHSA-N 0 3 245.395 0.862 20 0 BCADHN COC[C@H](O)CN1CC(C)(C)OC(C)(C)C1 ZINC000189651273 357656295 /nfs/dbraw/zinc/65/62/95/357656295.db2.gz LFIFHQRYHOBPFK-SNVBAGLBSA-N 0 3 231.336 0.883 20 0 BCADHN CC[C@]1(CO)CCCN1CC(=O)N(C)C ZINC000189692368 357658197 /nfs/dbraw/zinc/65/81/97/357658197.db2.gz CNKLOMGLNYWXPR-LLVKDONJSA-N 0 3 214.309 0.312 20 0 BCADHN CCCNC(=O)CN1CC[C@H](C)[C@@H]1CO ZINC000189721036 357664818 /nfs/dbraw/zinc/66/48/18/357664818.db2.gz IHKQWICODZBDKS-UWVGGRQHSA-N 0 3 214.309 0.215 20 0 BCADHN O[C@@H](CNCC1=CCOCC1)C(F)(F)F ZINC000397743082 357670132 /nfs/dbraw/zinc/67/01/32/357670132.db2.gz XGCSLZZMZOZVIH-QMMMGPOBSA-N 0 3 225.210 0.846 20 0 BCADHN C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CO ZINC000190859136 357728105 /nfs/dbraw/zinc/72/81/05/357728105.db2.gz XSOLKDCZMBNULK-PWSUYJOCSA-N 0 3 240.347 0.415 20 0 BCADHN CC[C@H](C)NC(=O)CN1CCC[C@]1(C)CO ZINC000545396150 325218692 /nfs/dbraw/zinc/21/86/92/325218692.db2.gz YVHNBFZEYQEGDT-CMPLNLGQSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CO ZINC000190890308 357729201 /nfs/dbraw/zinc/72/92/01/357729201.db2.gz DLOBPXFPAWVWPN-ZJUUUORDSA-N 0 3 228.336 0.461 20 0 BCADHN CCN(CC)CC(=O)NCCc1cnn(C)c1 ZINC000063767761 357718613 /nfs/dbraw/zinc/71/86/13/357718613.db2.gz DLDVIXVWOXPTQR-UHFFFAOYSA-N 0 3 238.335 0.421 20 0 BCADHN CC1(C)CCCN[C@H]1C(=O)NCCCC(N)=O ZINC000232931584 357694952 /nfs/dbraw/zinc/69/49/52/357694952.db2.gz ROYJVFSDSOEEGC-JTQLQIEISA-N 0 3 241.335 0.146 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCCNC2=O)C[C@H]1CO ZINC000190856324 357727774 /nfs/dbraw/zinc/72/77/74/357727774.db2.gz VAWVEKCZWVHNJS-OUAUKWLOSA-N 0 3 226.320 0.215 20 0 BCADHN Cc1ccc([O-])c(CN2CC[NH2+]CC2)n1 ZINC000085973139 357706925 /nfs/dbraw/zinc/70/69/25/357706925.db2.gz RLUZAXRXPYDIBX-UHFFFAOYSA-N 0 3 207.277 0.501 20 0 BCADHN CNC(=O)[C@H]1CCCN1C[C@H]1CC[C@@H](C)O1 ZINC000190427083 357707154 /nfs/dbraw/zinc/70/71/54/357707154.db2.gz FBRZVWYJVLWWNQ-GMTAPVOTSA-N 0 3 226.320 0.764 20 0 BCADHN CNC(=O)[C@H]1CCCN1C[C@H]1CC[C@H](C)O1 ZINC000190427102 357707255 /nfs/dbraw/zinc/70/72/55/357707255.db2.gz FBRZVWYJVLWWNQ-HBNTYKKESA-N 0 3 226.320 0.764 20 0 BCADHN CCCCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190903828 357732787 /nfs/dbraw/zinc/73/27/87/357732787.db2.gz FPVIYZIIWZCALB-WOPDTQHZSA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190917819 357732989 /nfs/dbraw/zinc/73/29/89/357732989.db2.gz FPBOYRBALXMGBG-KXNHARMFSA-N 0 3 242.363 0.850 20 0 BCADHN CCOC[C@H](NCC(=O)NC1CC1)C(C)C ZINC000233770806 357745799 /nfs/dbraw/zinc/74/57/99/357745799.db2.gz QVYGJPVKBPUQFB-NSHDSACASA-N 0 3 228.336 0.916 20 0 BCADHN CCc1ccc(CN2C[C@@H](O)[C@H](O)C2)cc1 ZINC000234159703 357776157 /nfs/dbraw/zinc/77/61/57/357776157.db2.gz JZKSENYVGSDGQK-CHWSQXEVSA-N 0 3 221.300 0.786 20 0 BCADHN CCc1ncc(CNC[C@@](C)(O)CO)s1 ZINC000085250784 491114456 /nfs/dbraw/zinc/11/44/56/491114456.db2.gz NTWXZFHINMYYFL-SNVBAGLBSA-N 0 3 230.333 0.538 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@H](OC)C1 ZINC000234017677 357768223 /nfs/dbraw/zinc/76/82/23/357768223.db2.gz HSBRYILGLUJYAH-IVZWLZJFSA-N 0 3 214.309 0.607 20 0 BCADHN C[C@@H]1CN(CCN2CCC(CO)CC2)CCO1 ZINC000191438266 357770243 /nfs/dbraw/zinc/77/02/43/357770243.db2.gz HPHREMJIWPNJJY-GFCCVEGCSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@H]1CN(CCN2CCC(CO)CC2)CCO1 ZINC000191438280 357770354 /nfs/dbraw/zinc/77/03/54/357770354.db2.gz HPHREMJIWPNJJY-LBPRGKRZSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC[C@@H]1CO ZINC000191481039 357773546 /nfs/dbraw/zinc/77/35/46/357773546.db2.gz OYVIUAZUFPZRLK-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN CNC(=O)CN[C@H]1C[C@H](OC)C1(C)C ZINC000234354897 357792143 /nfs/dbraw/zinc/79/21/43/357792143.db2.gz XGAYPWUVUPOPFY-YUMQZZPRSA-N 0 3 200.282 0.136 20 0 BCADHN COC(=O)[C@@H](C1CC1)N1CC[C@@](C)(C(N)=O)C1 ZINC000234557260 357811852 /nfs/dbraw/zinc/81/18/52/357811852.db2.gz KDNYJEQNBCSXAW-BXKDBHETSA-N 0 3 240.303 0.135 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CCN(C)C(C)(C)C1 ZINC000583272493 357782313 /nfs/dbraw/zinc/78/23/13/357782313.db2.gz MSELOLDOEGQKDX-NSHDSACASA-N 0 3 239.363 0.633 20 0 BCADHN CCN1CN(CCN2CCC(C)CC2)CC1=O ZINC000191572807 357785475 /nfs/dbraw/zinc/78/54/75/357785475.db2.gz PAFDAYUSAYAIJP-UHFFFAOYSA-N 0 3 239.363 0.840 20 0 BCADHN CN(C(=O)CN[C@H]1CCO[C@@H]1C1CC1)C1CC1 ZINC000234239984 357787385 /nfs/dbraw/zinc/78/73/85/357787385.db2.gz KLUUWECUWODBQV-WCQYABFASA-N 0 3 238.331 0.764 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)[C@@H](C)OC ZINC000191716143 357789572 /nfs/dbraw/zinc/78/95/72/357789572.db2.gz QRIRRECPWHJXLI-XHNCKOQMSA-N 0 3 245.323 0.234 20 0 BCADHN CC(C)[C@H](CO)NCC(=O)NCC(F)(F)F ZINC000086124164 357855249 /nfs/dbraw/zinc/85/52/49/357855249.db2.gz RNEWXCFFZQSLBS-ZETCQYMHSA-N 0 3 242.241 0.271 20 0 BCADHN CC[C@H]1CCCN(C(=O)CNCCOC)C1 ZINC000086158002 357862265 /nfs/dbraw/zinc/86/22/65/357862265.db2.gz DFONUBHITFXZSR-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN CO[C@@H]1C[C@@H](NCC(=O)NC(C)C)C1(C)C ZINC000234837156 357827036 /nfs/dbraw/zinc/82/70/36/357827036.db2.gz RUDIDJJNABZJJV-NXEZZACHSA-N 0 3 228.336 0.914 20 0 BCADHN CNCC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000193128073 357860820 /nfs/dbraw/zinc/86/08/20/357860820.db2.gz OJLDQAOEYNCWCI-LLVKDONJSA-N 0 3 247.342 0.946 20 0 BCADHN C=Cn1cc(CNC[C@]2(OC)CCOC2)cn1 ZINC000234791979 357828543 /nfs/dbraw/zinc/82/85/43/357828543.db2.gz GDYMJSZLUSQZQL-GFCCVEGCSA-N 0 3 237.303 0.879 20 0 BCADHN CO[C@@]1(CN[C@@H](C)c2ccnn2C)CCOC1 ZINC000234794144 357829319 /nfs/dbraw/zinc/82/93/19/357829319.db2.gz YQZQFGXTCWEGLP-CMPLNLGQSA-N 0 3 239.319 0.876 20 0 BCADHN CO[C@@H]1CN(C[C@@H](O)COC(C)C)C[C@@H]1OC ZINC000234806013 357830653 /nfs/dbraw/zinc/83/06/53/357830653.db2.gz BTEPZKIDICJIIC-UTUOFQBUSA-N 0 3 247.335 0.118 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN(C)CC[C@@H](C)O ZINC000234806195 357831109 /nfs/dbraw/zinc/83/11/09/357831109.db2.gz NFBJTFWKLQVLOW-GRYCIOLGSA-N 0 3 249.351 0.102 20 0 BCADHN Cc1ocnc1CNC(=O)[C@H](C)NC1CC1 ZINC000398047929 357831793 /nfs/dbraw/zinc/83/17/93/357831793.db2.gz CROASSNTSFVMQL-ZETCQYMHSA-N 0 3 223.276 0.740 20 0 BCADHN CO[C@@H]1C[C@H](NCC(=O)NC2CC2)C1(C)C ZINC000234810759 357831831 /nfs/dbraw/zinc/83/18/31/357831831.db2.gz KULGNSGHDAVWKP-VHSXEESVSA-N 0 3 226.320 0.668 20 0 BCADHN CC(C)C[N@@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192659417 357842677 /nfs/dbraw/zinc/84/26/77/357842677.db2.gz VJOMMNJRILEEEB-LLVKDONJSA-N 0 3 225.292 0.316 20 0 BCADHN CC(C)C[N@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192659417 357842679 /nfs/dbraw/zinc/84/26/79/357842679.db2.gz VJOMMNJRILEEEB-LLVKDONJSA-N 0 3 225.292 0.316 20 0 BCADHN C[C@H](CN1CCCCC1)NC(=O)C(C)(C)O ZINC000235450557 357869987 /nfs/dbraw/zinc/86/99/87/357869987.db2.gz OMYKUVJTRVWJKT-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CC(=O)N1CCCN(CCC(C)(C)O)CC1 ZINC000086194624 357871900 /nfs/dbraw/zinc/87/19/00/357871900.db2.gz IXWLEWQRUQJEPS-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)N(C)C ZINC000235518676 357874988 /nfs/dbraw/zinc/87/49/88/357874988.db2.gz MKSJMBLRWSEPIG-INTQDDNPSA-N 0 3 226.320 0.620 20 0 BCADHN COCCNCC(=O)NC1C(C)(C)C1(C)C ZINC000086240675 357875195 /nfs/dbraw/zinc/87/51/95/357875195.db2.gz ZNGPGUFRRKQFTR-UHFFFAOYSA-N 0 3 228.336 0.773 20 0 BCADHN CCN(CC(C)(C)O)[C@H]1CCCCNC1=O ZINC000086274794 357879545 /nfs/dbraw/zinc/87/95/45/357879545.db2.gz XJRLYUCCZPODDZ-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN Cn1ccnc1CNC(=O)[C@@H](N)C1CCC1 ZINC000399062311 357895292 /nfs/dbraw/zinc/89/52/92/357895292.db2.gz ZFSKFTLMGLCFGR-JTQLQIEISA-N 0 3 222.292 0.164 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000399111261 357895672 /nfs/dbraw/zinc/89/56/72/357895672.db2.gz ZJKRGJBZCWXMOI-SCZZXKLOSA-N 0 3 241.335 0.097 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@H](N)C1CCC1 ZINC000399001542 357892405 /nfs/dbraw/zinc/89/24/05/357892405.db2.gz CUOOIARYNZGIHF-LLVKDONJSA-N 0 3 241.335 0.146 20 0 BCADHN CN(C[C@@H]1CCCOC1)C(=O)[C@H](N)C1CCC1 ZINC000398976672 357892616 /nfs/dbraw/zinc/89/26/16/357892616.db2.gz BTMJJMKCOJWMEN-CMPLNLGQSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H](N)C2CCC2)CCO1 ZINC000399012711 357893917 /nfs/dbraw/zinc/89/39/17/357893917.db2.gz ZAMKMHZZVHCNRO-IEBDPFPHSA-N 0 3 226.320 0.798 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000399111264 357895938 /nfs/dbraw/zinc/89/59/38/357895938.db2.gz ZJKRGJBZCWXMOI-WPRPVWTQSA-N 0 3 241.335 0.097 20 0 BCADHN COCCNCC(=O)N(C)Cc1cscn1 ZINC000086158168 357862894 /nfs/dbraw/zinc/86/28/94/357862894.db2.gz HRIIGVLNVYBZQN-UHFFFAOYSA-N 0 3 243.332 0.338 20 0 BCADHN N[C@@H](C(=O)NCCc1cnccn1)C1CCC1 ZINC000399126647 357896878 /nfs/dbraw/zinc/89/68/78/357896878.db2.gz SQBAYTWMLGVLRL-LLVKDONJSA-N 0 3 234.303 0.263 20 0 BCADHN CSCCN(C)C(=O)[C@H](N)C1CCC1 ZINC000399224598 357898350 /nfs/dbraw/zinc/89/83/50/357898350.db2.gz MGFUWDBNZSBLOT-SECBINFHSA-N 0 3 216.350 0.935 20 0 BCADHN Cn1cc(CCNC(=O)[C@H](N)C2CCC2)cn1 ZINC000399215739 357898767 /nfs/dbraw/zinc/89/87/67/357898767.db2.gz ZNJRCSHJQIUUSB-LLVKDONJSA-N 0 3 236.319 0.206 20 0 BCADHN CC[C@@H](N)C(=O)N1CCOC2(CCOCC2)C1 ZINC000583325047 357905876 /nfs/dbraw/zinc/90/58/76/357905876.db2.gz WXFPJNAHAIYKSS-SNVBAGLBSA-N 0 3 242.319 0.132 20 0 BCADHN C[C@@H]1C[N@H+](Cc2ncccc2[O-])CC[C@@H]1O ZINC000564302996 325281666 /nfs/dbraw/zinc/28/16/66/325281666.db2.gz YGWSLTDHGPKDBL-KOLCDFICSA-N 0 3 222.288 0.990 20 0 BCADHN C[C@@H]1C[C@@H](C)CN([C@@H]2CC(=O)NC2=O)C1 ZINC000584418251 357915844 /nfs/dbraw/zinc/91/58/44/357915844.db2.gz HYLVQJASECXAAW-IWSPIJDZSA-N 0 3 210.277 0.379 20 0 BCADHN CCOC1CC(CN[C@@]2(C(N)=O)CCOC2)C1 ZINC000583761346 357936652 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/nfs/dbraw/zinc/97/87/91/357978791.db2.gz DPCQKAXTVAJQOB-CYBMUJFWSA-N 0 3 238.331 0.920 20 0 BCADHN COC[C@](C)(CO)NCCc1csc(C)n1 ZINC000639957076 357980607 /nfs/dbraw/zinc/98/06/07/357980607.db2.gz IXVPJJSSFIUEQT-NSHDSACASA-N 0 3 244.360 0.981 20 0 BCADHN COC[C@](C)(CO)NC[C@@H]1CC[C@@H](C)O1 ZINC000639957165 357980656 /nfs/dbraw/zinc/98/06/56/357980656.db2.gz KIWXYGDGFLLYBQ-VWYCJHECSA-N 0 3 217.309 0.541 20 0 BCADHN CC[C@H](CN[C@](C)(CO)COC)OC ZINC000639957130 357980690 /nfs/dbraw/zinc/98/06/90/357980690.db2.gz JPEDDEYQDGHVEQ-NXEZZACHSA-N 0 3 205.298 0.398 20 0 BCADHN COC[C@](C)(CO)NCCc1cscn1 ZINC000639959120 357984000 /nfs/dbraw/zinc/98/40/00/357984000.db2.gz YJYLAVRBWQQAHC-JTQLQIEISA-N 0 3 230.333 0.673 20 0 BCADHN COC[C@@](C)(CO)NCCC(F)(F)F ZINC000639954818 357986642 /nfs/dbraw/zinc/98/66/42/357986642.db2.gz GRYMYISCKAIKBW-SSDOTTSWSA-N 0 3 215.215 0.926 20 0 BCADHN Cc1ccnc([C@@H]2CCN([C@@H]3COC[C@H]3O)C2)c1 ZINC000584477998 357996023 /nfs/dbraw/zinc/99/60/23/357996023.db2.gz 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NC1(C(=O)NCC[C@H]2CCCCO2)CC1 ZINC000224071713 358231345 /nfs/dbraw/zinc/23/13/45/358231345.db2.gz SWUUXMMRNSYHBP-SECBINFHSA-N 0 3 212.293 0.553 20 0 BCADHN COCCNCC(=O)NCC[C@@H]1CCCCO1 ZINC000224083581 358231380 /nfs/dbraw/zinc/23/13/80/358231380.db2.gz KLLQEARQMNUVSO-NSHDSACASA-N 0 3 244.335 0.298 20 0 BCADHN CN(CCNC(=O)CNC1CC1)c1ccccc1 ZINC000040833289 358246884 /nfs/dbraw/zinc/24/68/84/358246884.db2.gz VIBKIMOKFGSSLB-UHFFFAOYSA-N 0 3 247.342 0.991 20 0 BCADHN CC[C@@H](N)C(=O)NCCN(C)c1ccccc1 ZINC000040833284 358246941 /nfs/dbraw/zinc/24/69/41/358246941.db2.gz NWUHBPKPKBAQEX-GFCCVEGCSA-N 0 3 235.331 0.976 20 0 BCADHN CCC[C@H](O)CN(C)[C@H](C)C[S@@](C)=O ZINC000450720740 202243289 /nfs/dbraw/zinc/24/32/89/202243289.db2.gz UQUKIZVQYIWLMT-ISTVAULSSA-N 0 3 221.366 0.846 20 0 BCADHN C[C@@H](CNCc1cc(C(N)=O)cs1)N(C)C ZINC000086573651 491126911 /nfs/dbraw/zinc/12/69/11/491126911.db2.gz CZAPCJQUZLJFLT-QMMMGPOBSA-N 0 3 241.360 0.887 20 0 BCADHN CC[C@@H](NCc1cn[nH]n1)[C@H]1CCCO1 ZINC000450726168 202246436 /nfs/dbraw/zinc/24/64/36/202246436.db2.gz KHGJFMHBWKLTRP-NXEZZACHSA-N 0 3 210.281 0.852 20 0 BCADHN C[C@@H](O)[C@H]1CCN(Cc2ccc(CO)o2)C1 ZINC000134734423 325374566 /nfs/dbraw/zinc/37/45/66/325374566.db2.gz XLLQUHSJOCUTEY-ZJUUUORDSA-N 0 3 225.288 0.975 20 0 BCADHN Cc1nnc(N2C[C@H]3CCN(C)[C@H]3C2)nc1C ZINC000450773582 202261298 /nfs/dbraw/zinc/26/12/98/202261298.db2.gz BABWHYMFRAPWRM-MNOVXSKESA-N 0 3 233.319 0.629 20 0 BCADHN Cc1nnc(N2C[C@H]3CCN(C)[C@H]3C2)s1 ZINC000450775904 202261628 /nfs/dbraw/zinc/26/16/28/202261628.db2.gz GSBBMSMXSQSDJX-BDAKNGLRSA-N 0 3 224.333 0.987 20 0 BCADHN CN1CCN(C(=O)CC2CCC2)[C@H](CN)C1 ZINC000226292970 358336222 /nfs/dbraw/zinc/33/62/22/358336222.db2.gz MBKYYPVRHRPNBE-LLVKDONJSA-N 0 3 225.336 0.278 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H]1CCSC1 ZINC000226357124 358337693 /nfs/dbraw/zinc/33/76/93/358337693.db2.gz IVQAVGRCILHDEC-BDAKNGLRSA-N 0 3 216.350 0.982 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)C(C)(C)C)c1nc[nH]n1 ZINC000226409278 358338894 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BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1cc(C)on1 ZINC000044727052 358392642 /nfs/dbraw/zinc/39/26/42/358392642.db2.gz GFDWZIMPTSBGBE-XVKPBYJWSA-N 0 3 225.292 0.973 20 0 BCADHN OCCCSCCNC[C@@H](O)C(F)(F)F ZINC000230788774 358410810 /nfs/dbraw/zinc/41/08/10/358410810.db2.gz IMEWDWYVKWYBBM-SSDOTTSWSA-N 0 3 247.282 0.615 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1cc(C)on1 ZINC000044727065 358393187 /nfs/dbraw/zinc/39/31/87/358393187.db2.gz GFDWZIMPTSBGBE-XCBNKYQSSA-N 0 3 225.292 0.973 20 0 BCADHN Cn1nncc1CNCC[C@@H]1CCOC1 ZINC000230162815 358394777 /nfs/dbraw/zinc/39/47/77/358394777.db2.gz YHTQSGPTISMZDV-SECBINFHSA-N 0 3 210.281 0.331 20 0 BCADHN Cc1cc(CNC(=O)CNC(C)C)on1 ZINC000045007159 358398718 /nfs/dbraw/zinc/39/87/18/358398718.db2.gz GDWQAHWTGGRIQE-UHFFFAOYSA-N 0 3 211.265 0.597 20 0 BCADHN OCCN(CCO)C[C@@H]1CCC2(CCCC2)O1 ZINC000229392294 358402898 /nfs/dbraw/zinc/40/28/98/358402898.db2.gz YFOIKKIYDAZPPE-LBPRGKRZSA-N 0 3 243.347 0.765 20 0 BCADHN CCOC[C@@H](O)CNCc1cc(C)nn1C ZINC000309414506 358447029 /nfs/dbraw/zinc/44/70/29/358447029.db2.gz KOIFKSISOJXDJC-NSHDSACASA-N 0 3 227.308 0.216 20 0 BCADHN CCC(=O)NCCCN(C)CCOC ZINC000041950782 358516792 /nfs/dbraw/zinc/51/67/92/358516792.db2.gz CBXJSUPKLXKZFK-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN COCC[C@@](C)(O)CNC(=O)CN(C)C(C)C ZINC000174904070 134283466 /nfs/dbraw/zinc/28/34/66/134283466.db2.gz HERDKYZVBHFVDA-GFCCVEGCSA-N 0 3 246.351 0.230 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000043559911 358540333 /nfs/dbraw/zinc/54/03/33/358540333.db2.gz MTYQMCAYHZXGRP-GUBZILKMSA-N 0 3 242.319 0.537 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCC(=O)NCCC ZINC000045088699 358557854 /nfs/dbraw/zinc/55/78/54/358557854.db2.gz WFWFYVPQBPGFDD-SNVBAGLBSA-N 0 3 243.351 0.536 20 0 BCADHN C[C@@H]1CC[C@H](C)N(CC(=O)N2CCOCC2)C1 ZINC000174472137 134282245 /nfs/dbraw/zinc/28/22/45/134282245.db2.gz HALJJJJIPAGVGG-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)N(C)C ZINC000130747141 358642789 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234.307 0.674 20 0 BCADHN CNC(=O)NC(=O)CN1CCC[C@@H]1C(C)C ZINC000049077626 358669552 /nfs/dbraw/zinc/66/95/52/358669552.db2.gz ONEFEAIFUVGQFY-SECBINFHSA-N 0 3 227.308 0.562 20 0 BCADHN C[C@@H](NCC1(CO)CC1)c1cnccn1 ZINC000132364181 491135511 /nfs/dbraw/zinc/13/55/11/491135511.db2.gz AJMBBOHRGSLKCH-SECBINFHSA-N 0 3 207.277 0.900 20 0 BCADHN CC(C)(C)N(CCOCC1CC1)CC(N)=O ZINC000131380818 358673339 /nfs/dbraw/zinc/67/33/39/358673339.db2.gz PGEPSEJGVMMHIH-UHFFFAOYSA-N 0 3 228.336 0.999 20 0 BCADHN CN(CCCC(=O)NC(N)=O)Cc1ccoc1 ZINC000049442046 358689541 /nfs/dbraw/zinc/68/95/41/358689541.db2.gz FFNVFHFXTGTJES-UHFFFAOYSA-N 0 3 239.275 0.687 20 0 BCADHN CC(C)N(C)CC(=O)N(C)CCN(C)C ZINC000176389653 134291180 /nfs/dbraw/zinc/29/11/80/134291180.db2.gz UCIJJWFGPMDNHK-UHFFFAOYSA-N 0 3 215.341 0.347 20 0 BCADHN CC[C@H](NC(=O)C(=O)NCCN)c1ccccc1 ZINC000051626133 358755985 /nfs/dbraw/zinc/75/59/85/358755985.db2.gz YMNNKLVPEZTUJO-NSHDSACASA-N 0 3 249.314 0.329 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000133877019 358771425 /nfs/dbraw/zinc/77/14/25/358771425.db2.gz POSJXDVLAOZTPO-BBBLOLIVSA-N 0 3 227.308 0.167 20 0 BCADHN CCC[C@H](C)CN(C)CC(=O)N1CCNCC1 ZINC000049954048 358708074 /nfs/dbraw/zinc/70/80/74/358708074.db2.gz VHSUGIUGSHELMP-LBPRGKRZSA-N 0 3 241.379 0.786 20 0 BCADHN CCC[C@@H](C)CN(C)CC(=O)N1CCNCC1 ZINC000049954047 358708119 /nfs/dbraw/zinc/70/81/19/358708119.db2.gz VHSUGIUGSHELMP-GFCCVEGCSA-N 0 3 241.379 0.786 20 0 BCADHN COC(=O)CCCN(C)[C@@H]1CCCCNC1=O ZINC000050064995 358711778 /nfs/dbraw/zinc/71/17/78/358711778.db2.gz KUHILYNUBULNED-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN OCC1CCN(CCN2CCOCC2)CC1 ZINC000050104670 358716279 /nfs/dbraw/zinc/71/62/79/358716279.db2.gz ZMTBSKFXQJXNHW-UHFFFAOYSA-N 0 3 228.336 0.023 20 0 BCADHN OC[C@H]1CCCN1CCO[C@@H]1CCCCO1 ZINC000050116835 358716874 /nfs/dbraw/zinc/71/68/74/358716874.db2.gz MTTIAWZLKLYOMC-VXGBXAGGSA-N 0 3 229.320 0.986 20 0 BCADHN O=C(CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1)NCC1CC1 ZINC000228103255 358724702 /nfs/dbraw/zinc/72/47/02/358724702.db2.gz IEGQOEQBBHFOIX-QJPTWQEYSA-N 0 3 238.331 0.215 20 0 BCADHN CCc1nc(C(=O)NC[C@H]2CCN(C)C2)co1 ZINC000132543751 358727584 /nfs/dbraw/zinc/72/75/84/358727584.db2.gz SQUJLWYNDPLZRE-SECBINFHSA-N 0 3 237.303 0.919 20 0 BCADHN CNC(=O)[C@@H](NC1CSC1)C(C)C ZINC000308383881 491136175 /nfs/dbraw/zinc/13/61/75/491136175.db2.gz VXOXMEROOHEDEL-QMMMGPOBSA-N 0 3 202.323 0.462 20 0 BCADHN C[C@@H]1COCCN1CCNCc1cccnc1 ZINC000053381674 358826533 /nfs/dbraw/zinc/82/65/33/358826533.db2.gz KIPVYODGRWEVEZ-GFCCVEGCSA-N 0 3 235.331 0.892 20 0 BCADHN NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2N)cc1 ZINC000050457551 181298750 /nfs/dbraw/zinc/29/87/50/181298750.db2.gz JOAAZBANVJWIDP-DTWKUNHWSA-N 0 3 219.244 0.071 20 0 BCADHN C[C@H](N[C@@H]1CCO[C@@H]1C)C(=O)N(C)C ZINC000133978094 358774083 /nfs/dbraw/zinc/77/40/83/358774083.db2.gz FQVKNLPNCCZKJU-DJLDLDEBSA-N 0 3 200.282 0.230 20 0 BCADHN COC[C@@H](C)NCc1ccnc2ccnn21 ZINC000134533852 358794438 /nfs/dbraw/zinc/79/44/38/358794438.db2.gz QKTQUPUVGLOQPR-SECBINFHSA-N 0 3 220.276 0.854 20 0 BCADHN CNC(=O)CN1CCCC[C@@H](SC)C1 ZINC000134584238 358796544 /nfs/dbraw/zinc/79/65/44/358796544.db2.gz IQJVCGFRYNCBNC-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN CC(C)C(=O)N1CCN(CCN(C)C)CC1 ZINC000053064768 358807119 /nfs/dbraw/zinc/80/71/19/358807119.db2.gz FTRFGECFCLGTOB-UHFFFAOYSA-N 0 3 227.352 0.348 20 0 BCADHN CC(C)(C)NC(=O)CNC1(CO)CCCC1 ZINC000053070068 358807665 /nfs/dbraw/zinc/80/76/65/358807665.db2.gz CTRQQYLAHUNQJK-UHFFFAOYSA-N 0 3 228.336 0.796 20 0 BCADHN CCC[C@H](C)CN1CCO[C@H](CC(N)=O)C1 ZINC000628474700 358864988 /nfs/dbraw/zinc/86/49/88/358864988.db2.gz MAMLUDFBEQWNCM-WDEREUQCSA-N 0 3 228.336 0.999 20 0 BCADHN C[C@@H](NC1CSC1)C1(S(C)(=O)=O)CC1 ZINC000308655619 491137610 /nfs/dbraw/zinc/13/76/10/491137610.db2.gz NYOAFTAADOQSGS-SSDOTTSWSA-N 0 3 235.374 0.657 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCC(=O)NC(C)C ZINC000135417405 358837032 /nfs/dbraw/zinc/83/70/32/358837032.db2.gz JFOLNKCKVQLUSL-SNVBAGLBSA-N 0 3 243.351 0.535 20 0 BCADHN Cc1ccncc1CNC[C@@H]1COCCO1 ZINC000135454732 358838520 /nfs/dbraw/zinc/83/85/20/358838520.db2.gz TXGNQYBHFBHAJL-GFCCVEGCSA-N 0 3 222.288 0.895 20 0 BCADHN C[C@H](CO)N(C)Cc1cc(=O)n2ccccc2n1 ZINC000135505029 358841130 /nfs/dbraw/zinc/84/11/30/358841130.db2.gz ABEYJPJENDJMDS-SNVBAGLBSA-N 0 3 247.298 0.507 20 0 BCADHN CCN[C@H](C)C(=O)N1CCO[C@H](C)C1 ZINC000308579425 491137178 /nfs/dbraw/zinc/13/71/78/491137178.db2.gz FYSDQFNUKSIVJT-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@H](CO)CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000308765786 491138001 /nfs/dbraw/zinc/13/80/01/491138001.db2.gz VYWDRLBEIXXJSP-YUMQZZPRSA-N 0 3 227.226 0.614 20 0 BCADHN COCCNC(=O)N1CCCN(C2CC2)CC1 ZINC000057777139 358907117 /nfs/dbraw/zinc/90/71/17/358907117.db2.gz ORWKIFIOJNJTDO-UHFFFAOYSA-N 0 3 241.335 0.513 20 0 BCADHN CC(C(=O)NC[C@@H]1CCCCO1)S(C)(=O)=O ZINC000140608024 358923438 /nfs/dbraw/zinc/92/34/38/358923438.db2.gz PWBXGEJYZJGQMY-IUCAKERBSA-N 0 3 249.332 0.105 20 0 BCADHN COCCN(C)CCCNC(=O)NCC(C)C ZINC000060909885 358929934 /nfs/dbraw/zinc/92/99/34/358929934.db2.gz AVNYNAXQJZBOKA-UHFFFAOYSA-N 0 3 245.367 0.910 20 0 BCADHN CCNC(=O)CN(CCOC)CC(C)C ZINC000061189482 358931933 /nfs/dbraw/zinc/93/19/33/358931933.db2.gz AAOIGMWJBQPAOU-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN C[C@@H](F)CCNC(=O)N1CCN(C)C[C@H]1CN ZINC000578336122 366526837 /nfs/dbraw/zinc/52/68/37/366526837.db2.gz JPLOROSYQRYQEX-NXEZZACHSA-N 0 3 246.330 0.019 20 0 BCADHN CC(F)(F)C(=O)N1CCNCC1(C)C ZINC000306154764 358941257 /nfs/dbraw/zinc/94/12/57/358941257.db2.gz BOGRLRXNMAEMMV-UHFFFAOYSA-N 0 3 206.236 0.852 20 0 BCADHN CC(C)N1CCC(N2CCN(C)CC2=O)CC1 ZINC000197983910 358947795 /nfs/dbraw/zinc/94/77/95/358947795.db2.gz VSVCPWHEEHOMMO-UHFFFAOYSA-N 0 3 239.363 0.633 20 0 BCADHN COC(=O)CNC(=O)CN(C)C1CCCCC1 ZINC000177753720 134300090 /nfs/dbraw/zinc/30/00/90/134300090.db2.gz GKPMTYJEHKVYPY-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN CCN(C)CCNC(=O)C[C@@H](C)C(=O)OC ZINC000177591516 134300298 /nfs/dbraw/zinc/30/02/98/134300298.db2.gz CBEJCIFDZLHQFO-SECBINFHSA-N 0 3 230.308 0.254 20 0 BCADHN COC(=O)[C@]1(C)CCN([C@@H](C)C(=O)N(C)C)C1 ZINC000177570168 134300322 /nfs/dbraw/zinc/30/03/22/134300322.db2.gz OWKMEPWZYZPAQP-JOYOIKCWSA-N 0 3 242.319 0.348 20 0 BCADHN CN(C)c1ncc(CN[C@@H]2CCCOC2)n1C ZINC000070144249 359042799 /nfs/dbraw/zinc/04/27/99/359042799.db2.gz WDVIJOKRFDJVNJ-SNVBAGLBSA-N 0 3 238.335 0.755 20 0 BCADHN C[C@H](CNCc1cnc(N(C)C)n1C)N(C)C ZINC000070143771 359043059 /nfs/dbraw/zinc/04/30/59/359043059.db2.gz AWKXMEHXFYYIQP-SNVBAGLBSA-N 0 3 239.367 0.526 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000054076977 359002595 /nfs/dbraw/zinc/00/25/95/359002595.db2.gz ZMFKDVDTYBIDKY-CIUDSAMLSA-N 0 3 200.282 0.014 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)CC[C@H](C)O ZINC000158348703 359014099 /nfs/dbraw/zinc/01/40/99/359014099.db2.gz CRIUROYOUKCBAB-ONGXEEELSA-N 0 3 216.325 0.733 20 0 BCADHN COC(=O)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000073598548 359102640 /nfs/dbraw/zinc/10/26/40/359102640.db2.gz FIFLSADBNZUAFY-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N1CCCCCC1 ZINC000073598546 359102683 /nfs/dbraw/zinc/10/26/83/359102683.db2.gz FIFLSADBNZUAFY-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN O=C(NCCN1CCCC1)[C@@H]1CCCO1 ZINC000073542819 359102716 /nfs/dbraw/zinc/10/27/16/359102716.db2.gz VVCSGTARKBCKAZ-JTQLQIEISA-N 0 3 212.293 0.377 20 0 BCADHN CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000075665347 359188224 /nfs/dbraw/zinc/18/82/24/359188224.db2.gz IUVLNRAMOWFQHJ-ZJUUUORDSA-N 0 3 227.308 0.169 20 0 BCADHN CC[C@@H](O)CN1CCC(N(C)C(C)=O)CC1 ZINC000075676029 359188945 /nfs/dbraw/zinc/18/89/45/359188945.db2.gz HJCSIZJFKRCGSS-GFCCVEGCSA-N 0 3 228.336 0.700 20 0 BCADHN COCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000246502822 359133673 /nfs/dbraw/zinc/13/36/73/359133673.db2.gz WRKRRQCARFLUAW-MNOVXSKESA-N 0 3 241.335 0.511 20 0 BCADHN CCN1CCC[C@@H]1CN[C@H](C)CS(C)(=O)=O ZINC000246649195 359154164 /nfs/dbraw/zinc/15/41/64/359154164.db2.gz IPDAWUQHKPYKOK-GHMZBOCLSA-N 0 3 248.392 0.493 20 0 BCADHN CN1CC[C@H](N2CC[C@@]3(CCOC3)C2)C1=O ZINC000247500716 359228439 /nfs/dbraw/zinc/22/84/39/359228439.db2.gz XORZMUSJISHCRC-CMPLNLGQSA-N 0 3 224.304 0.330 20 0 BCADHN COC[C@@H]1CCCN([C@@H]2CCN(C)C2=O)C1 ZINC000247535056 359231971 /nfs/dbraw/zinc/23/19/71/359231971.db2.gz PTICWJBZUNFTJC-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H](COCCOC)C1 ZINC000075952368 359247941 /nfs/dbraw/zinc/24/79/41/359247941.db2.gz CPYKXHPDLQPPQD-WDEREUQCSA-N 0 3 244.335 0.235 20 0 BCADHN CN(C)C(=O)CN(C)CCN1CCCCC1 ZINC000247987715 359251399 /nfs/dbraw/zinc/25/13/99/359251399.db2.gz KUDKTUMMKVURDL-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN Cn1cnc(CNC[C@@](C)(O)C2CC2)c1 ZINC000308878177 491139407 /nfs/dbraw/zinc/13/94/07/491139407.db2.gz CCPJRUBALHHRGJ-LLVKDONJSA-N 0 3 209.293 0.671 20 0 BCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CCCO1 ZINC000247440559 359221243 /nfs/dbraw/zinc/22/12/43/359221243.db2.gz PJZKGPVCDGADAY-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc[nH]n1 ZINC000247453985 359222344 /nfs/dbraw/zinc/22/23/44/359222344.db2.gz QLDPUCHLPNIASK-MWLCHTKSSA-N 0 3 236.319 0.822 20 0 BCADHN CN(C(=O)[C@H]1CCCO1)[C@@H]1CCCN(C)C1 ZINC000247486234 359224254 /nfs/dbraw/zinc/22/42/54/359224254.db2.gz TYHVQEOWSADLKL-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN CC(C)(C)CCCNc1nc(N)nc(N)n1 ZINC000623987766 359317800 /nfs/dbraw/zinc/31/78/00/359317800.db2.gz NVYDGCWXEKUYIG-UHFFFAOYSA-N 0 3 224.312 0.357 20 0 BCADHN CO[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CCO1 ZINC000613808923 363644851 /nfs/dbraw/zinc/64/48/51/363644851.db2.gz AYUAESSWLRYOSD-PWSUYJOCSA-N 0 3 242.319 0.160 20 0 BCADHN COC(C)(C)CN(C)C(=O)[C@H](N)CCSC ZINC000404243747 359370684 /nfs/dbraw/zinc/37/06/84/359370684.db2.gz RVBNJTSYJMQPGF-SECBINFHSA-N 0 3 248.392 0.950 20 0 BCADHN CCS(=O)(=O)NCCCN1[C@H](C)C[C@H]1C ZINC000548424960 325456377 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PFRQMEWHDCMFHI-UHFFFAOYSA-N 0 3 237.303 0.818 20 0 BCADHN C[C@H](CC[NH3+])NC(=O)c1ccc2n[n-]nc2c1 ZINC000423506083 192799110 /nfs/dbraw/zinc/79/91/10/192799110.db2.gz MBIICXCEBJJHKF-SSDOTTSWSA-N 0 3 233.275 0.425 20 0 BCADHN C[C@@H](CNC[C@H](C)S(C)(=O)=O)N(C)C1CC1 ZINC000580423509 359535253 /nfs/dbraw/zinc/53/52/53/359535253.db2.gz WOYRHRJOWFGAQN-UWVGGRQHSA-N 0 3 248.392 0.492 20 0 BCADHN CC(C)n1cc([C@@H](C)NCCC(N)=O)cn1 ZINC000580422991 359537114 /nfs/dbraw/zinc/53/71/14/359537114.db2.gz AOWFZUVNRODBCB-SECBINFHSA-N 0 3 224.308 0.990 20 0 BCADHN CN1CC[C@@H](CSc2ncnn2C)C1 ZINC000191220122 359539393 /nfs/dbraw/zinc/53/93/93/359539393.db2.gz VLOOLGJMJPLLDE-MRVPVSSYSA-N 0 3 212.322 0.859 20 0 BCADHN CC[C@H]1CN(C(=O)CNC)CCS1 ZINC000158364691 359547722 /nfs/dbraw/zinc/54/77/22/359547722.db2.gz VSBANNCVXVNGCT-QMMMGPOBSA-N 0 3 202.323 0.560 20 0 BCADHN CC[C@@H](COC)NC[C@@H](C)S(C)(=O)=O ZINC000379580319 359552759 /nfs/dbraw/zinc/55/27/59/359552759.db2.gz YSGGXJREDHQSAS-BDAKNGLRSA-N 0 3 223.338 0.434 20 0 BCADHN CN(C)[C@H]1CN([C@@H]2C=CCCC2)C[C@@H]1O ZINC000580446389 359561832 /nfs/dbraw/zinc/56/18/32/359561832.db2.gz JVMFRILHFQSBGE-WOPDTQHZSA-N 0 3 210.321 0.702 20 0 BCADHN NC(=O)CN[C@H](CO)C1CCCCC1 ZINC000379599641 359567443 /nfs/dbraw/zinc/56/74/43/359567443.db2.gz JYFLIGBIRRXBJS-SECBINFHSA-N 0 3 200.282 0.003 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@]1(C)CCCCN1 ZINC000423745996 192827929 /nfs/dbraw/zinc/82/79/29/192827929.db2.gz QRZCKJWTFUEMOE-LBPRGKRZSA-N 0 3 242.319 0.540 20 0 BCADHN Cc1nsc(N2C[C@H]3CCN(C)[C@H]3C2)n1 ZINC000450778559 202264422 /nfs/dbraw/zinc/26/44/22/202264422.db2.gz LWSJCEKODFTGIO-BDAKNGLRSA-N 0 3 224.333 0.987 20 0 BCADHN Cc1ncc(CN[C@@H]2CCCOC2)n1C ZINC000580466704 359571149 /nfs/dbraw/zinc/57/11/49/359571149.db2.gz JQAZZPGGPNVJKJ-SNVBAGLBSA-N 0 3 209.293 0.997 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@](CC)(C(N)=O)C(C)C ZINC000423849361 192840826 /nfs/dbraw/zinc/84/08/26/192840826.db2.gz SLEVQQMVOANGMR-SKDRFNHKSA-N 0 3 243.351 0.520 20 0 BCADHN CCN1CCCN(C[C@@H](C)COC)CC1=O ZINC000191544622 359574550 /nfs/dbraw/zinc/57/45/50/359574550.db2.gz OOZIOMAPACQBMN-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000423767343 192831416 /nfs/dbraw/zinc/83/14/16/192831416.db2.gz WXIGGEJRZVAVSK-VHSXEESVSA-N 0 3 243.351 0.391 20 0 BCADHN Cc1ccc(NC(=O)C(C)(C)N)c(=O)[nH]1 ZINC000423776474 192833769 /nfs/dbraw/zinc/83/37/69/192833769.db2.gz QNLJCZIBQXYYRB-UHFFFAOYSA-N 0 3 209.249 0.771 20 0 BCADHN COc1cccc2c1nc(NC(=O)[C@@H](C)N)n2C ZINC000423786999 192835604 /nfs/dbraw/zinc/83/56/04/192835604.db2.gz AQXIIGJOPXILJK-SSDOTTSWSA-N 0 3 248.286 0.868 20 0 BCADHN CCC[C@@H](NC(=O)[C@H]1CCCCN1)C(=O)OC ZINC000423803981 192838165 /nfs/dbraw/zinc/83/81/65/192838165.db2.gz RHRVULVHMJJDQK-NXEZZACHSA-N 0 3 242.319 0.586 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000423862935 192841387 /nfs/dbraw/zinc/84/13/87/192841387.db2.gz HAYPBIJLZRXFKK-HOSYDEDBSA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@H](N)C(=O)NCC1([C@H](O)C(C)C)CC1 ZINC000423873079 192842730 /nfs/dbraw/zinc/84/27/30/192842730.db2.gz MJZFXRKYFDIJMQ-VHSXEESVSA-N 0 3 228.336 0.637 20 0 BCADHN CC(C)(CNCC1(F)CC1)NS(C)(=O)=O ZINC000309009692 491142244 /nfs/dbraw/zinc/14/22/44/491142244.db2.gz RGZKSEBERWLMDW-UHFFFAOYSA-N 0 3 238.328 0.406 20 0 BCADHN O=C(COC1CNC1)N(CC1CC1)CC1CC1 ZINC000430409174 192871596 /nfs/dbraw/zinc/87/15/96/192871596.db2.gz MLYJJPPVWBYRMV-UHFFFAOYSA-N 0 3 238.331 0.623 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H](O)C2CC2)CN1C1CC1 ZINC000612107733 359654612 /nfs/dbraw/zinc/65/46/12/359654612.db2.gz UXUWUWLGTVREMV-UBHAPETDSA-N 0 3 238.331 0.499 20 0 BCADHN CC[C@H](O)CC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000450797191 202267478 /nfs/dbraw/zinc/26/74/78/202267478.db2.gz QDDGAUAUQBBNIF-DCAQKATOSA-N 0 3 228.336 0.746 20 0 BCADHN CC[C@H](O)CC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000450797194 202267560 /nfs/dbraw/zinc/26/75/60/202267560.db2.gz QDDGAUAUQBBNIF-OUAUKWLOSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@H]1C[C@@H](O)CN1CCn1ccccc1=O ZINC000309061664 491143825 /nfs/dbraw/zinc/14/38/25/491143825.db2.gz CCYYJUTUQJQQFM-WDEREUQCSA-N 0 3 222.288 0.303 20 0 BCADHN Cc1cnc(C(=O)NC[C@H](C)N(C)C2CC2)cn1 ZINC000057718471 359753116 /nfs/dbraw/zinc/75/31/16/359753116.db2.gz SNOYQJXLRZXTBP-JTQLQIEISA-N 0 3 248.330 0.998 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@](C)(O)C(C)=O)[C@@H]1C ZINC000450829028 202278097 /nfs/dbraw/zinc/27/80/97/202278097.db2.gz NDUGAEZFGPJOEN-UISBYWKRSA-N 0 3 243.303 0.210 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCN(C)[C@@H](C(C)C)C1 ZINC000450845786 202286364 /nfs/dbraw/zinc/28/63/64/202286364.db2.gz NUWQNVDGWOEEJI-OLZOCXBDSA-N 0 3 242.363 0.598 20 0 BCADHN CO[C@@H](C)C[NH+]1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450917599 202307693 /nfs/dbraw/zinc/30/76/93/202307693.db2.gz DTRFZWNUWAQUKL-QMMMGPOBSA-N 0 3 241.291 0.990 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ncc[nH]1 ZINC000612303099 359777565 /nfs/dbraw/zinc/77/75/65/359777565.db2.gz FGHPVIMLKLJZHE-WPRPVWTQSA-N 0 3 234.303 0.622 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H](O)C1CC1 ZINC000612305602 359778196 /nfs/dbraw/zinc/77/81/96/359778196.db2.gz ZRYNWNBJHWVECH-FXAINCCUSA-N 0 3 238.331 0.356 20 0 BCADHN CC(C)(C)[C@H](O)C[C@H](CO)NC1CSC1 ZINC000309082794 491144443 /nfs/dbraw/zinc/14/44/43/491144443.db2.gz SCWSERNWZZBMMY-PSASIEDQSA-N 0 3 233.377 0.849 20 0 BCADHN Cc1cc(NC(=O)[C@@H]2CCCCN2)nn1C ZINC000082248043 359768758 /nfs/dbraw/zinc/76/87/58/359768758.db2.gz ZILRRYHWASXKMR-VIFPVBQESA-N 0 3 222.292 0.809 20 0 BCADHN Cc1cc(NC(=O)[C@H]2CCCCN2)nn1C ZINC000082248044 359768905 /nfs/dbraw/zinc/76/89/05/359768905.db2.gz ZILRRYHWASXKMR-SECBINFHSA-N 0 3 222.292 0.809 20 0 BCADHN CN1CCC[C@@H](CNC(=O)CCC(C)(C)O)C1 ZINC000578393399 366552118 /nfs/dbraw/zinc/55/21/18/366552118.db2.gz XXHMDAUTZFSCHF-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN COC[C@H]1CN(CC[C@H](C)O)CC(C)(C)O1 ZINC000450943227 202316337 /nfs/dbraw/zinc/31/63/37/202316337.db2.gz QIWHDUHMLVRSPL-WDEREUQCSA-N 0 3 231.336 0.883 20 0 BCADHN O[C@H](CNC[C@@H](O)Cc1ccccc1)C(F)F ZINC000578358658 366538895 /nfs/dbraw/zinc/53/88/95/366538895.db2.gz HBCARUFCQJPPJT-WDEREUQCSA-N 0 3 245.269 0.806 20 0 BCADHN CCN(C)CCNC(=O)COCCCOC ZINC000180752095 366542654 /nfs/dbraw/zinc/54/26/54/366542654.db2.gz RVROCSISMWHSQF-UHFFFAOYSA-N 0 3 232.324 0.107 20 0 BCADHN CCN(C[C@H](C)O)C[C@@](C)(O)C(C)=O ZINC000450979628 202325476 /nfs/dbraw/zinc/32/54/76/202325476.db2.gz QSBOQHVCLYYJRG-WCBMZHEXSA-N 0 3 203.282 0.029 20 0 BCADHN CCO[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCN(CC)C1 ZINC000578485138 366577361 /nfs/dbraw/zinc/57/73/61/366577361.db2.gz UDQWFKRTLVIQQA-GARJFASQSA-N 0 3 241.335 0.557 20 0 BCADHN COC[C@@H](O)CN1CCC[C@@](C)(F)C1 ZINC000451114828 202354641 /nfs/dbraw/zinc/35/46/41/202354641.db2.gz MRFJYODYPUIALA-VHSXEESVSA-N 0 3 205.273 0.818 20 0 BCADHN COC[C@H](O)CN1CCC[C@@](C)(F)C1 ZINC000451114826 202353185 /nfs/dbraw/zinc/35/31/85/202353185.db2.gz MRFJYODYPUIALA-NXEZZACHSA-N 0 3 205.273 0.818 20 0 BCADHN COC[C@H](O)CN1CCC[C@](C)(F)C1 ZINC000451114829 202354719 /nfs/dbraw/zinc/35/47/19/202354719.db2.gz MRFJYODYPUIALA-ZJUUUORDSA-N 0 3 205.273 0.818 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)c1ncnn1C)N(C)C ZINC000613895211 363669054 /nfs/dbraw/zinc/66/90/54/363669054.db2.gz KUCAEQIQFFUGBM-BDAKNGLRSA-N 0 3 239.323 0.333 20 0 BCADHN O=C(CCc1ccon1)N1CCN2CCC1CC2 ZINC000613862006 363670960 /nfs/dbraw/zinc/67/09/60/363670960.db2.gz RXIZDUSLEUGNLI-UHFFFAOYSA-N 0 3 249.314 0.914 20 0 BCADHN COC[C@@H]1CCN1CC1(C(=O)OC)CC1 ZINC000451069420 202345435 /nfs/dbraw/zinc/34/54/35/202345435.db2.gz LGFAFKDFSPLREE-VIFPVBQESA-N 0 3 213.277 0.660 20 0 BCADHN COCCOC[C@H](O)CN1C[C@@H](C)[C@H]1C ZINC000451068338 202347008 /nfs/dbraw/zinc/34/70/08/202347008.db2.gz BMKLMGPUFJKSHM-GMTAPVOTSA-N 0 3 217.309 0.351 20 0 BCADHN CCC[C@H](O)CN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000451142178 202365346 /nfs/dbraw/zinc/36/53/46/202365346.db2.gz VUPDRWKCWGBRNR-AVGNSLFASA-N 0 3 242.363 0.552 20 0 BCADHN CN(C[C@H](O)CN(C1CC1)C1COC1)C1CC1 ZINC000451128464 202360531 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249.314 0.541 20 0 BCADHN COCCOCCC(=O)N[C@@H]1CCCN(C)C1 ZINC000138568140 360926886 /nfs/dbraw/zinc/92/68/86/360926886.db2.gz PBNDLMMUOTUJBN-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000459762893 200840419 /nfs/dbraw/zinc/84/04/19/200840419.db2.gz WCSTXTXCSOKRGY-XRRVDJEJSA-N 0 3 240.347 0.615 20 0 BCADHN CCc1nn(C)cc1CNC[C@H]1COCCN1 ZINC000629394980 361043657 /nfs/dbraw/zinc/04/36/57/361043657.db2.gz SLXJRVSIXIDWKO-NSHDSACASA-N 0 3 238.335 0.061 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)C[C@@H]1CCCO1 ZINC000157225660 361071080 /nfs/dbraw/zinc/07/10/80/361071080.db2.gz FISYOMCZOANQEO-UTLUCORTSA-N 0 3 214.309 0.798 20 0 BCADHN CN1CCC[C@H]1CNC(=O)CCCF ZINC000629452395 361077573 /nfs/dbraw/zinc/07/75/73/361077573.db2.gz QRWIZQAJSJCLOB-VIFPVBQESA-N 0 3 202.273 0.947 20 0 BCADHN CCC[C@H](O)CC(=O)NC[C@@H]1CCCN1C ZINC000629455132 361081088 /nfs/dbraw/zinc/08/10/88/361081088.db2.gz IAVNBCLUJZUMCA-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN NC1(C(=O)N2CCC[C@H](n3cccn3)C2)CC1 ZINC000336285607 181324436 /nfs/dbraw/zinc/32/44/36/181324436.db2.gz MKQWWKBUSVXPAY-JTQLQIEISA-N 0 3 234.303 0.538 20 0 BCADHN NC1(C(=O)N2CCC[C@@H](n3cccn3)C2)CC1 ZINC000336285608 181324593 /nfs/dbraw/zinc/32/45/93/181324593.db2.gz MKQWWKBUSVXPAY-SNVBAGLBSA-N 0 3 234.303 0.538 20 0 BCADHN C[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1cnccc1N ZINC000629524373 361124123 /nfs/dbraw/zinc/12/41/23/361124123.db2.gz PYCQXDLSDZWJHH-IWSPIJDZSA-N 0 3 234.303 0.409 20 0 BCADHN NC1(C(=O)NCCCn2cccn2)CCCC1 ZINC000134450422 181325829 /nfs/dbraw/zinc/32/58/29/181325829.db2.gz CEIKZFAQZPLFAV-UHFFFAOYSA-N 0 3 236.319 0.661 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)COC(C)(C)C ZINC000158594847 361205475 /nfs/dbraw/zinc/20/54/75/361205475.db2.gz LJVBPAOVPNEBEE-VIFPVBQESA-N 0 3 216.325 0.868 20 0 BCADHN CC1CC(NC(=O)C[C@H]2CNCCO2)C1 ZINC000158256462 361192742 /nfs/dbraw/zinc/19/27/42/361192742.db2.gz HNRHVDYTHWJJEA-RTBKNWGFSA-N 0 3 212.293 0.280 20 0 BCADHN CN(CC(F)F)C(=O)C[C@@H]1CSCCN1 ZINC000158704331 361209061 /nfs/dbraw/zinc/20/90/61/361209061.db2.gz CJOCMYWLQSWDPP-SSDOTTSWSA-N 0 3 238.303 0.805 20 0 BCADHN O=C(CCN1C[C@@H]2C[C@]2(O)C1)NC1CCCC1 ZINC000640479139 361250145 /nfs/dbraw/zinc/25/01/45/361250145.db2.gz XRRVVSZWRQKUGM-GWCFXTLKSA-N 0 3 238.331 0.502 20 0 BCADHN NC1(C(=O)NCC2CCC2)CCOCC1 ZINC000149650402 181326177 /nfs/dbraw/zinc/32/61/77/181326177.db2.gz PFXIBPRJLMTWIT-UHFFFAOYSA-N 0 3 212.293 0.411 20 0 BCADHN NC1(C(=O)NCCCc2ccccn2)CC1 ZINC000353737257 181326432 /nfs/dbraw/zinc/32/64/32/181326432.db2.gz IQLFYBPERSTRHW-UHFFFAOYSA-N 0 3 219.288 0.622 20 0 BCADHN NC1(C(=O)NCCCC(F)(F)F)CC1 ZINC000133090692 181326621 /nfs/dbraw/zinc/32/66/21/181326621.db2.gz MEJCKAUQZDBINZ-UHFFFAOYSA-N 0 3 210.199 0.936 20 0 BCADHN Nc1cccc(CN2C[C@@H]3C[C@]3(O)C2)c1 ZINC000640485147 361277471 /nfs/dbraw/zinc/27/74/71/361277471.db2.gz GXJORRFZULWMJL-JQWIXIFHSA-N 0 3 204.273 0.835 20 0 BCADHN Nc1cccc(CN2C[C@H]3C[C@@]3(O)C2)c1 ZINC000640485151 361277829 /nfs/dbraw/zinc/27/78/29/361277829.db2.gz GXJORRFZULWMJL-ZYHUDNBSSA-N 0 3 204.273 0.835 20 0 BCADHN Cn1cncc1CCN1C[C@H]2C[C@@]2(O)C1 ZINC000640485585 361279033 /nfs/dbraw/zinc/27/90/33/361279033.db2.gz ILZUANKZOMXOOG-MWLCHTKSSA-N 0 3 207.277 0.029 20 0 BCADHN CC(C)CC[C@H](O)CN1C[C@@H]2C[C@]2(O)C1 ZINC000640485530 361279189 /nfs/dbraw/zinc/27/91/89/361279189.db2.gz HWKKFYCNBNYUSD-SRVKXCTJSA-N 0 3 213.321 0.850 20 0 BCADHN C[C@H]1C[C@@H]1CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000575000640 361282486 /nfs/dbraw/zinc/28/24/86/361282486.db2.gz JAPXRTQSYDUCKF-VLEAKVRGSA-N 0 3 226.320 0.166 20 0 BCADHN NC1(C(=O)NC[C@H](O)Cc2ccccc2)CCC1 ZINC000296981172 181327397 /nfs/dbraw/zinc/32/73/97/181327397.db2.gz VIBGRJALQBVPCM-GFCCVEGCSA-N 0 3 248.326 0.588 20 0 BCADHN NC1(C(=O)NCc2cn3ccccc3n2)CC1 ZINC000269238268 181327506 /nfs/dbraw/zinc/32/75/06/181327506.db2.gz OXGMZQWEIYAPTM-UHFFFAOYSA-N 0 3 230.271 0.442 20 0 BCADHN NC1(C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000083378393 181327063 /nfs/dbraw/zinc/32/70/63/181327063.db2.gz MFAJCAVPVXHSHH-VIFPVBQESA-N 0 3 248.282 0.434 20 0 BCADHN NC1(C(=O)N[C@@H]2CCCOCC2)CCCC1 ZINC000309585883 181328098 /nfs/dbraw/zinc/32/80/98/181328098.db2.gz VPKOOKAAPYYQMN-SNVBAGLBSA-N 0 3 226.320 0.943 20 0 BCADHN Cc1nnc(CN2CCN(C)[C@H](C)[C@@H]2C)[nH]1 ZINC000428307384 201007357 /nfs/dbraw/zinc/00/73/57/201007357.db2.gz UKHDGMATGCAZSQ-BDAKNGLRSA-N 0 3 223.324 0.638 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NCc1cn[nH]c1 ZINC000309745571 491155848 /nfs/dbraw/zinc/15/58/48/491155848.db2.gz FLSSODZYUPNQFI-JOYOIKCWSA-N 0 3 220.320 0.982 20 0 BCADHN NC1(C(=O)NCc2cccc3c2OCO3)CC1 ZINC000088130735 181328168 /nfs/dbraw/zinc/32/81/68/181328168.db2.gz BGCNOYGUYTYVOC-UHFFFAOYSA-N 0 3 234.255 0.523 20 0 BCADHN NC1(C(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000083836316 181328184 /nfs/dbraw/zinc/32/81/84/181328184.db2.gz XUJRTLOMOUUPIF-SECBINFHSA-N 0 3 218.256 0.728 20 0 BCADHN NC1(C(=O)NCc2cc[nH]n2)CCCCC1 ZINC000041016399 181328463 /nfs/dbraw/zinc/32/84/63/181328463.db2.gz VPNJUQVWSNDDJH-UHFFFAOYSA-N 0 3 222.292 0.688 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)[C@@H](N)CC(F)F ZINC000579107534 366712489 /nfs/dbraw/zinc/71/24/89/366712489.db2.gz LXVPVGHBNOYQND-XVMARJQXSA-N 0 3 224.251 0.509 20 0 BCADHN COC1([C@H](C)NC[C@H](C)S(C)(=O)=O)CCC1 ZINC000579112242 366713430 /nfs/dbraw/zinc/71/34/30/366713430.db2.gz FTOMXQYSLWWQKS-UWVGGRQHSA-N 0 3 249.376 0.967 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](CC(C)C)C(=O)OC ZINC000579117937 366716289 /nfs/dbraw/zinc/71/62/89/366716289.db2.gz YGQFJDUVTKLEKV-VHSXEESVSA-N 0 3 244.335 0.675 20 0 BCADHN CC[C@@H](C(=O)N1CC(COC)C1)N(C)C ZINC000640559520 361311945 /nfs/dbraw/zinc/31/19/45/361311945.db2.gz UMDPPPLLPVDACU-JTQLQIEISA-N 0 3 214.309 0.431 20 0 BCADHN CC(=O)N1CC(N[C@@H]2COC(C)(C)C2)C1 ZINC000579128371 366719235 /nfs/dbraw/zinc/71/92/35/366719235.db2.gz PNRQHXPKTLJECC-VIFPVBQESA-N 0 3 212.293 0.374 20 0 BCADHN NC1(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000163108959 181327850 /nfs/dbraw/zinc/32/78/50/181327850.db2.gz SLTBBVGTOXHZCX-IVZWLZJFSA-N 0 3 224.304 0.552 20 0 BCADHN NC1(C(=O)N[C@@H]2CCN(C3CC3)C2)CCCC1 ZINC000044726843 181327864 /nfs/dbraw/zinc/32/78/64/181327864.db2.gz NPWJVJBQXIVNHV-SNVBAGLBSA-N 0 3 237.347 0.611 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H]1C[C@H](O)C1(C)C)N(C)C ZINC000428292478 201004089 /nfs/dbraw/zinc/00/40/89/201004089.db2.gz BXZHOAUJAKGVHX-VWYCJHECSA-N 0 3 242.363 0.848 20 0 BCADHN Cc1nc(CN2CC[C@@H]([C@H]3CCOC3)C2)n[nH]1 ZINC000428360451 201011602 /nfs/dbraw/zinc/01/16/02/201011602.db2.gz BUYRVRHNWUKWKB-MNOVXSKESA-N 0 3 236.319 0.972 20 0 BCADHN Cc1nc(CN2CC[C@H]([C@H]3CCOC3)C2)n[nH]1 ZINC000428360452 201012282 /nfs/dbraw/zinc/01/22/82/201012282.db2.gz BUYRVRHNWUKWKB-QWRGUYRKSA-N 0 3 236.319 0.972 20 0 BCADHN O=C(CCCn1cccn1)N1CCCNCC1 ZINC000428410516 201012872 /nfs/dbraw/zinc/01/28/72/201012872.db2.gz BHEAAJCRLMATJB-UHFFFAOYSA-N 0 3 236.319 0.485 20 0 BCADHN O=C(CCOCC1CC1)N1CCCNCC1 ZINC000428423926 201016133 /nfs/dbraw/zinc/01/61/33/201016133.db2.gz WACOWAXDQBYJJS-UHFFFAOYSA-N 0 3 226.320 0.625 20 0 BCADHN CCC[C@](C)(N)C(=O)NCc1ncnn1CC ZINC000579235288 366740670 /nfs/dbraw/zinc/74/06/70/366740670.db2.gz CKZJZBAVWCRPAR-NSHDSACASA-N 0 3 239.323 0.432 20 0 BCADHN CC(=O)c1cc(C(=O)N2CCCNCC2)n(C)c1 ZINC000428455131 201020980 /nfs/dbraw/zinc/02/09/80/201020980.db2.gz IXSPVBXEACRJMD-UHFFFAOYSA-N 0 3 249.314 0.663 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@H]1CCO ZINC000428593258 201029517 /nfs/dbraw/zinc/02/95/17/201029517.db2.gz CDLLRGSTBYMVNQ-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN CS[C@H](C)C(=O)NC[C@@](C)(O)CCN(C)C ZINC000431390139 192915368 /nfs/dbraw/zinc/91/53/68/192915368.db2.gz GQVZESONWXXQER-KOLCDFICSA-N 0 3 248.392 0.557 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)CCCO ZINC000162305742 361344163 /nfs/dbraw/zinc/34/41/63/361344163.db2.gz POAROFOZPYSIPZ-UWVGGRQHSA-N 0 3 237.365 0.560 20 0 BCADHN CN(C)C1(CNCc2cocn2)CCOCC1 ZINC000428878186 201048699 /nfs/dbraw/zinc/04/86/99/201048699.db2.gz DDXCLNLZHIZBHB-UHFFFAOYSA-N 0 3 239.319 0.875 20 0 BCADHN CC[C@H](O)CCN[C@@H](C)CS(=O)(=O)CC ZINC000162313642 361345561 /nfs/dbraw/zinc/34/55/61/361345561.db2.gz VYTIAWXQYSYXJI-UWVGGRQHSA-N 0 3 237.365 0.560 20 0 BCADHN Cc1cc(CN2CC[C@](C)(C(N)=O)C2)ncn1 ZINC000428936454 201048990 /nfs/dbraw/zinc/04/89/90/201048990.db2.gz AVCRBVCNEWKRGO-LBPRGKRZSA-N 0 3 234.303 0.482 20 0 BCADHN C[C@H](O)CN(C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000428674185 201034984 /nfs/dbraw/zinc/03/49/84/201034984.db2.gz QDBFLEAJPWSBOY-MXWKQRLJSA-N 0 3 228.336 0.698 20 0 BCADHN C[C@@H](O)CN(C)C(=O)C1CCN(C)CC1 ZINC000428689534 201036660 /nfs/dbraw/zinc/03/66/60/201036660.db2.gz JEOUCZRATFIDMD-SECBINFHSA-N 0 3 214.309 0.167 20 0 BCADHN CC[C@@]1(O)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000428737996 201038907 /nfs/dbraw/zinc/03/89/07/201038907.db2.gz CMEAQCFAMJZANX-DGCLKSJQSA-N 0 3 242.363 0.946 20 0 BCADHN CNC(=O)CN(CC1CCC1)[C@H](C)CO ZINC000428952437 201051476 /nfs/dbraw/zinc/05/14/76/201051476.db2.gz CPGKBDWOICTAJJ-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN CC[C@]1(O)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000428737997 201039332 /nfs/dbraw/zinc/03/93/32/201039332.db2.gz CMEAQCFAMJZANX-YPMHNXCESA-N 0 3 242.363 0.946 20 0 BCADHN Cc1nc(C)c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)[nH]1 ZINC000622063527 370688260 /nfs/dbraw/zinc/68/82/60/370688260.db2.gz LBRNWFGKOMOKDE-QWRGUYRKSA-N 0 3 248.330 0.803 20 0 BCADHN C[C@H](c1ccccc1)[C@H](NCCCO)C(N)=O ZINC000428862414 201044464 /nfs/dbraw/zinc/04/44/64/201044464.db2.gz NMAHXUBJJUOSQM-PWSUYJOCSA-N 0 3 236.315 0.616 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCC1(O)CCC1 ZINC000162251639 361340771 /nfs/dbraw/zinc/34/07/71/361340771.db2.gz GUUBQYMCQVAGPX-VIFPVBQESA-N 0 3 235.349 0.314 20 0 BCADHN C[C@@H](c1ccccc1)[C@@H](NCCCO)C(N)=O ZINC000428862410 201045222 /nfs/dbraw/zinc/04/52/22/201045222.db2.gz NMAHXUBJJUOSQM-CMPLNLGQSA-N 0 3 236.315 0.616 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@H](O)C(C)C ZINC000162264840 361341179 /nfs/dbraw/zinc/34/11/79/361341179.db2.gz YMLNVEHEHWWHJK-UWVGGRQHSA-N 0 3 237.365 0.416 20 0 BCADHN CNC(=O)CN1CCC[C@@]1(CO)CC(C)C ZINC000428950130 201052150 /nfs/dbraw/zinc/05/21/50/201052150.db2.gz ZOWKZTQFMKKEKI-LBPRGKRZSA-N 0 3 228.336 0.605 20 0 BCADHN CNC(=O)CN(CCO)[C@@H]1CC[C@@H](C)C1 ZINC000428960362 201052333 /nfs/dbraw/zinc/05/23/33/201052333.db2.gz BNMQIPYTQKSDHD-NXEZZACHSA-N 0 3 214.309 0.215 20 0 BCADHN CNC(=O)[C@H]1CCC[C@H]1NCc1cc(C)ncn1 ZINC000428982341 201054411 /nfs/dbraw/zinc/05/44/11/201054411.db2.gz ZZKLGXYAUFQPLN-NWDGAFQWSA-N 0 3 248.330 0.789 20 0 BCADHN CCC1CCC(N(CCO)CC(=O)NC)CC1 ZINC000428974848 201054746 /nfs/dbraw/zinc/05/47/46/201054746.db2.gz FATNISHJBKJKEL-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN COCC[C@]1(NCc2n[nH]c(C)n2)CCOC1 ZINC000428985657 201055975 /nfs/dbraw/zinc/05/59/75/201055975.db2.gz VZVNJLCLORZVOK-NSHDSACASA-N 0 3 240.307 0.398 20 0 BCADHN Cc1nc(CC(=O)NCCN2CC=CCC2)n[nH]1 ZINC000614260562 363773846 /nfs/dbraw/zinc/77/38/46/363773846.db2.gz XOCIMGBICIIWDQ-UHFFFAOYSA-N 0 3 249.318 0.034 20 0 BCADHN CC[C@@H]1CCN1C[C@@H](O)CO[C@@H](C)COC ZINC000429271798 201087022 /nfs/dbraw/zinc/08/70/22/201087022.db2.gz KDAWKWFNBBYYLW-QJPTWQEYSA-N 0 3 231.336 0.883 20 0 BCADHN CC[C@@]1(NCC(=O)NCC(C)C)CCOC1 ZINC000309855895 491157476 /nfs/dbraw/zinc/15/74/76/491157476.db2.gz KLDNEQSBDDFXDD-GFCCVEGCSA-N 0 3 228.336 0.917 20 0 BCADHN CCCN(CC(N)=O)C[C@H](O)CC(F)(F)F ZINC000429142992 201074698 /nfs/dbraw/zinc/07/46/98/201074698.db2.gz OAUKDIZCMSTQFA-SSDOTTSWSA-N 0 3 242.241 0.497 20 0 BCADHN C[C@@H]1COCCN1CCN1CC[C@H](O)C[C@@H]1C ZINC000429169008 201076614 /nfs/dbraw/zinc/07/66/14/201076614.db2.gz RRVBAFUPRBFGEC-XQQFMLRXSA-N 0 3 242.363 0.552 20 0 BCADHN COCC(C)(C)N(C)CCN1CCCC1=O ZINC000429238260 201083979 /nfs/dbraw/zinc/08/39/79/201083979.db2.gz YRCZLQYLTQVSAB-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H]1COCCN1CCN(C)C1(CO)CCC1 ZINC000429247992 201084032 /nfs/dbraw/zinc/08/40/32/201084032.db2.gz LBLVSPVFGJEMMK-GFCCVEGCSA-N 0 3 242.363 0.554 20 0 BCADHN CN(Cc1cc([O-])ccc1Cl)C[C@H](O)C[NH3+] ZINC000629539021 361404763 /nfs/dbraw/zinc/40/47/63/361404763.db2.gz VASLXFWBNFYMOB-SNVBAGLBSA-N 0 3 244.722 0.797 20 0 BCADHN CN(Cc1cc([O-])ccc1Cl)C[C@@H](O)C[NH3+] ZINC000629538983 361404858 /nfs/dbraw/zinc/40/48/58/361404858.db2.gz VASLXFWBNFYMOB-JTQLQIEISA-N 0 3 244.722 0.797 20 0 BCADHN Cc1n[nH]cc1CNC[C@H]1CCCC(=O)N1 ZINC000309858227 491157545 /nfs/dbraw/zinc/15/75/45/491157545.db2.gz LKHPHKLKGUVXIT-SNVBAGLBSA-N 0 3 222.292 0.476 20 0 BCADHN c1cn(CCN2CCc3n[nH]nc3C2)cn1 ZINC000429319510 201100952 /nfs/dbraw/zinc/10/09/52/201100952.db2.gz UYXDCSLALIQATM-UHFFFAOYSA-N 0 3 218.264 0.060 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN[C@H](C)C1 ZINC000429335029 201101099 /nfs/dbraw/zinc/10/10/99/201101099.db2.gz NTZVMZSLBVTCPC-UTUOFQBUSA-N 0 3 239.363 0.680 20 0 BCADHN CNC(=O)CN1CC[C@H](C(=O)OC)[C@@H]1C(C)C ZINC000429365791 201103399 /nfs/dbraw/zinc/10/33/99/201103399.db2.gz JPDYAKKQDOQZFT-ONGXEEELSA-N 0 3 242.319 0.252 20 0 BCADHN CN(C[C@H](O)C(F)(F)F)C[C@H]1CCOC1 ZINC000181244607 366798205 /nfs/dbraw/zinc/79/82/05/366798205.db2.gz GXQZJEALKHASFE-SFYZADRCSA-N 0 3 227.226 0.878 20 0 BCADHN C[C@@H]1COC[C@H](C)N1CCN1CCCOCC1 ZINC000429696536 201126018 /nfs/dbraw/zinc/12/60/18/201126018.db2.gz RGMMRDHFMUFSKL-BETUJISGSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@H]1CCC[C@H](NC(=O)COC2CNC2)[C@@H]1C ZINC000429736653 201130199 /nfs/dbraw/zinc/13/01/99/201130199.db2.gz JFZMLBZAACOHNM-FOGDFJRCSA-N 0 3 240.347 0.916 20 0 BCADHN CNCC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000429984364 201137521 /nfs/dbraw/zinc/13/75/21/201137521.db2.gz LEALHXRKELYRKV-MRVPVSSYSA-N 0 3 238.335 0.304 20 0 BCADHN CNCC(=O)N[C@@H](COC)Cc1ccccc1 ZINC000429996027 201136356 /nfs/dbraw/zinc/13/63/56/201136356.db2.gz DIWXDWXNJUATTC-GFCCVEGCSA-N 0 3 236.315 0.580 20 0 BCADHN CN(C)CCN(C(=O)c1cccc(N)n1)C1CC1 ZINC000579471424 366819491 /nfs/dbraw/zinc/81/94/91/366819491.db2.gz ZAYMJHJQWAOZGB-UHFFFAOYSA-N 0 3 248.330 0.830 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NC(=O)CNC1CC1 ZINC000579463044 366814037 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201230108 /nfs/dbraw/zinc/23/01/08/201230108.db2.gz PASSBGXWJHYRPS-MNOVXSKESA-N 0 3 245.319 0.269 20 0 BCADHN O=C(NCCN1CCCC1)[C@H]1CCCCO1 ZINC000435044281 201249972 /nfs/dbraw/zinc/24/99/72/201249972.db2.gz DURMXJNPRIRYAV-LLVKDONJSA-N 0 3 226.320 0.768 20 0 BCADHN CN(CCCO)CCN1CCOC(C)(C)C1 ZINC000434694264 201234849 /nfs/dbraw/zinc/23/48/49/201234849.db2.gz KGWRSSCJGHFYGO-UHFFFAOYSA-N 0 3 230.352 0.411 20 0 BCADHN CCCN(C)CC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000434712116 201236056 /nfs/dbraw/zinc/23/60/56/201236056.db2.gz UEDDKRYXIAPOLE-MNOVXSKESA-N 0 3 227.352 0.537 20 0 BCADHN CNS(=O)(=O)CCCNCc1ccncc1 ZINC000309981775 491159384 /nfs/dbraw/zinc/15/93/84/491159384.db2.gz WJHSOOVKABUIBH-UHFFFAOYSA-N 0 3 243.332 0.111 20 0 BCADHN CCCn1cc(CNCC[C@@H](O)COC)cn1 ZINC000153763344 201248847 /nfs/dbraw/zinc/24/88/47/201248847.db2.gz SVXKEAYDTMAJIG-GFCCVEGCSA-N 0 3 241.335 0.780 20 0 BCADHN COC[C@H](NCCC(=O)N(C)C)[C@@H]1CCCO1 ZINC000434791366 201240143 /nfs/dbraw/zinc/24/01/43/201240143.db2.gz 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0 3 215.293 0.108 20 0 BCADHN CCOCCNC(=O)CN[C@H](COC)C1CC1 ZINC000183480663 367027159 /nfs/dbraw/zinc/02/71/59/367027159.db2.gz URAHIYXZXKBXFU-LLVKDONJSA-N 0 3 244.335 0.154 20 0 BCADHN CN[C@@H](C)C(=O)NC1(COC)CCCC1 ZINC000579973766 367110959 /nfs/dbraw/zinc/11/09/59/367110959.db2.gz KKCROGNGGQGVGT-VIFPVBQESA-N 0 3 214.309 0.670 20 0 BCADHN Cc1ccc(C)c(OCCNC(CO)CO)c1 ZINC000579975682 367113137 /nfs/dbraw/zinc/11/31/37/367113137.db2.gz ZERCSGMGCTWEQE-UHFFFAOYSA-N 0 3 239.315 0.625 20 0 BCADHN CC[C@@H](O)CN(C)[C@@H](C)C[S@](C)=O ZINC000185413274 367130178 /nfs/dbraw/zinc/13/01/78/367130178.db2.gz MUEJSYQJQOFSCP-RWEMILLDSA-N 0 3 207.339 0.456 20 0 BCADHN CC[C@@H]1[C@@H](C)CCN1CC(=O)NC(=O)NC ZINC000185591724 367137270 /nfs/dbraw/zinc/13/72/70/367137270.db2.gz RHJCQYANILEGMK-DTWKUNHWSA-N 0 3 227.308 0.562 20 0 BCADHN CC[C@H]1[C@H](C)CCN1CC(=O)N1CCNC1=O ZINC000185591798 367138318 /nfs/dbraw/zinc/13/83/18/367138318.db2.gz XPFDLBJCJRMGKE-ZJUUUORDSA-N 0 3 239.319 0.659 20 0 BCADHN C[C@H](O)CNCc1cccc(N2CCC2=O)c1 ZINC000579944553 367094191 /nfs/dbraw/zinc/09/41/91/367094191.db2.gz ZUJPIRQOUUAKKE-JTQLQIEISA-N 0 3 234.299 0.894 20 0 BCADHN NC(=O)CCN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000579947855 367096496 /nfs/dbraw/zinc/09/64/96/367096496.db2.gz HLLHVHKJYHJJOD-YPMHNXCESA-N 0 3 234.299 0.982 20 0 BCADHN NC(=O)CCN[C@H]1CCO[C@@H]1c1ccccc1 ZINC000579947854 367096756 /nfs/dbraw/zinc/09/67/56/367096756.db2.gz HLLHVHKJYHJJOD-WCQYABFASA-N 0 3 234.299 0.982 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000580812217 367173958 /nfs/dbraw/zinc/17/39/58/367173958.db2.gz KNDDVEAVLJYSMA-FOGDFJRCSA-N 0 3 241.335 0.151 20 0 BCADHN CC[C@@H](N)C(=O)N1CCNCc2ccccc21 ZINC000580823450 367176677 /nfs/dbraw/zinc/17/66/77/367176677.db2.gz PSKIAZWFYVHWCB-LLVKDONJSA-N 0 3 233.315 0.860 20 0 BCADHN CCN(CCO)CCNC(=O)NC1CCCC1 ZINC000193068534 367147692 /nfs/dbraw/zinc/14/76/92/367147692.db2.gz YJNNKTJLBHZWFU-UHFFFAOYSA-N 0 3 243.351 0.542 20 0 BCADHN CN1CCC(NC(=O)[C@H]2CC2(F)F)CC1 ZINC000622285520 370823205 /nfs/dbraw/zinc/82/32/05/370823205.db2.gz SVGDCHIVDSQDAU-MRVPVSSYSA-N 0 3 218.247 0.852 20 0 BCADHN CN(C)CCn1ccc(C(=O)NC(C)(C)C)n1 ZINC000580783746 367165286 /nfs/dbraw/zinc/16/52/86/367165286.db2.gz VGNJZQUTNKRQMA-UHFFFAOYSA-N 0 3 238.335 0.973 20 0 BCADHN CO[C@H](CN)C(=O)NCCC[C@H]1CCCCO1 ZINC000580888090 367197898 /nfs/dbraw/zinc/19/78/98/367197898.db2.gz XQQCCOBTRUSDOT-GHMZBOCLSA-N 0 3 244.335 0.426 20 0 BCADHN CC(F)(F)CNC(=O)N[C@@H]1CC[C@H]1O ZINC000581127771 367270947 /nfs/dbraw/zinc/27/09/47/367270947.db2.gz HRLJJRXKUOIXOJ-PHDIDXHHSA-N 0 3 208.208 0.464 20 0 BCADHN CN1CCN(C[C@H]2COCCO2)CC1(C)C ZINC000581141204 367276377 /nfs/dbraw/zinc/27/63/77/367276377.db2.gz WJGVULSVQUAKSA-NSHDSACASA-N 0 3 228.336 0.428 20 0 BCADHN CCCN(CC(=O)NC)C[C@H]1CCCC[C@@H]1O ZINC000581169586 367281018 /nfs/dbraw/zinc/28/10/18/367281018.db2.gz BIBWKSWAYSMMCH-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCC(=O)N(C)CC ZINC000581008310 367233189 /nfs/dbraw/zinc/23/31/89/367233189.db2.gz UVHFGVMPWSAXQJ-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000195015345 367331383 /nfs/dbraw/zinc/33/13/83/367331383.db2.gz CAECHXHHKHAIMS-SNVBAGLBSA-N 0 3 241.335 0.052 20 0 BCADHN CCOC[C@@H](O)CNCc1cncc(C)c1 ZINC000381043558 367340482 /nfs/dbraw/zinc/34/04/82/367340482.db2.gz GPQLRBMKEUBCTI-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN CNC(=O)C1CCN(Cc2ncccc2[O-])CC1 ZINC000581217406 367296547 /nfs/dbraw/zinc/29/65/47/367296547.db2.gz GPCFTBRUDWMVSV-UHFFFAOYSA-N 0 3 249.314 0.745 20 0 BCADHN CNC(=O)C1CC[NH+](Cc2ncccc2[O-])CC1 ZINC000581217406 367296552 /nfs/dbraw/zinc/29/65/52/367296552.db2.gz GPCFTBRUDWMVSV-UHFFFAOYSA-N 0 3 249.314 0.745 20 0 BCADHN COc1ccc([O-])c(C(=O)N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000381416853 367398062 /nfs/dbraw/zinc/39/80/62/367398062.db2.gz ZNXNXTYIMJBVNM-YUMQZZPRSA-N 0 3 238.287 0.866 20 0 BCADHN CCCN(CC(=O)N(C)C)CC(C)(C)O ZINC000170915574 367400843 /nfs/dbraw/zinc/40/08/43/367400843.db2.gz NVGOTFKGMJIDIE-UHFFFAOYSA-N 0 3 216.325 0.558 20 0 BCADHN C[C@H](CNCC1(F)CC1)N1CCN(C)CC1 ZINC000381463247 367410654 /nfs/dbraw/zinc/41/06/54/367410654.db2.gz LSKYEZVCZRPHDF-LLVKDONJSA-N 0 3 229.343 0.714 20 0 BCADHN Cc1noc(C)c1NC(=O)CNC1CC1 ZINC000381499081 367420342 /nfs/dbraw/zinc/42/03/42/367420342.db2.gz NYZCOJUSTHFASI-UHFFFAOYSA-N 0 3 209.249 0.982 20 0 BCADHN CC(=O)NCCN(C)C[C@@H]1CCOC1 ZINC000581346400 367364496 /nfs/dbraw/zinc/36/44/96/367364496.db2.gz VGJHBHBZFKGKBA-JTQLQIEISA-N 0 3 200.282 0.091 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[S@](=O)[C@H](C)C1 ZINC000381294895 367375837 /nfs/dbraw/zinc/37/58/37/367375837.db2.gz FZMDASVKHAGKPT-OLBFVZFUSA-N 0 3 232.349 0.093 20 0 BCADHN CCCN(CCO)CCNC(=O)NC(C)C ZINC000581426764 367466682 /nfs/dbraw/zinc/46/66/82/367466682.db2.gz HTXXLOHFYNKJAD-UHFFFAOYSA-N 0 3 231.340 0.398 20 0 BCADHN NC(=O)c1csc(CN[C@@H]2CC[C@H]2O)c1 ZINC000381997508 367477231 /nfs/dbraw/zinc/47/72/31/367477231.db2.gz IWQMEXQSGCWFNQ-RKDXNWHRSA-N 0 3 226.301 0.460 20 0 BCADHN C[C@@H]1OCC[C@]1(C)NC[C@H]1CN(C)C(=O)O1 ZINC000382179367 367494495 /nfs/dbraw/zinc/49/44/95/367494495.db2.gz ZAPKDZDGVUHHGY-QXEWZRGKSA-N 0 3 228.292 0.594 20 0 BCADHN COC[C@](C)(O)CNCc1cn(C)nc1C ZINC000381752121 367454495 /nfs/dbraw/zinc/45/44/95/367454495.db2.gz RKRLUJFOTJMKHF-LLVKDONJSA-N 0 3 227.308 0.216 20 0 BCADHN COC[C@@]1(C)CCN([C@@H](C)C(N)=O)C1 ZINC000381858015 367463621 /nfs/dbraw/zinc/46/36/21/367463621.db2.gz ZVCNOXLJVKAOMF-WPRPVWTQSA-N 0 3 200.282 0.219 20 0 BCADHN Cn1nncc1CN[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000381861509 367464145 /nfs/dbraw/zinc/46/41/45/367464145.db2.gz WGYBHVCBEWHLBQ-HBNTYKKESA-N 0 3 222.292 0.472 20 0 BCADHN COC[C@](C)(O)CNCc1cc(C)nn1C ZINC000382544485 367536054 /nfs/dbraw/zinc/53/60/54/367536054.db2.gz CKIFQWCEGBNKRU-LLVKDONJSA-N 0 3 227.308 0.216 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC[C@@]1(C)CCCO1 ZINC000382915541 367567529 /nfs/dbraw/zinc/56/75/29/367567529.db2.gz AXEXUPZLBGVCII-JOYOIKCWSA-N 0 3 226.320 0.812 20 0 BCADHN CC(C)CNC(=O)CN(C)[C@@H](C)C(C)(C)O ZINC000382780254 367556290 /nfs/dbraw/zinc/55/62/90/367556290.db2.gz CSSPWDUDDZYXQC-JTQLQIEISA-N 0 3 230.352 0.850 20 0 BCADHN CCN1CC[C@H](NCc2ccn(C)n2)C1 ZINC000382223652 367499321 /nfs/dbraw/zinc/49/93/21/367499321.db2.gz NSHWAODBBRCSMB-NSHDSACASA-N 0 3 208.309 0.604 20 0 BCADHN COC[C@@](C)(O)CNCc1scnc1C ZINC000382360859 367510934 /nfs/dbraw/zinc/51/09/34/367510934.db2.gz OJNGRNOIWNQJLR-JTQLQIEISA-N 0 3 230.333 0.939 20 0 BCADHN CC(C)N1CC[C@@H](NCC2(O)CCCC2)C1=O ZINC000581483744 367515157 /nfs/dbraw/zinc/51/51/57/367515157.db2.gz GBHGAJQNTODWHN-LLVKDONJSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000382928868 367569166 /nfs/dbraw/zinc/56/91/66/367569166.db2.gz FERBFNCFJAKVIQ-ATZCPNFKSA-N 0 3 226.320 0.811 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](C)NC2CC2)no1 ZINC000382933237 367570350 /nfs/dbraw/zinc/57/03/50/367570350.db2.gz GMHFKSGLDXTXAE-MRVPVSSYSA-N 0 3 223.276 0.740 20 0 BCADHN COCC(C)(C)NC(=O)[C@H](C)NC1CC1 ZINC000382930996 367568201 /nfs/dbraw/zinc/56/82/01/367568201.db2.gz FSTRLCUOHVFWEZ-QMMMGPOBSA-N 0 3 214.309 0.668 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)NC1CC1)[C@@H]1CCCO1 ZINC000382928871 367568816 /nfs/dbraw/zinc/56/88/16/367568816.db2.gz FERBFNCFJAKVIQ-YWVKMMECSA-N 0 3 226.320 0.811 20 0 BCADHN CCOC(=O)CCCNC(=O)[C@@H](C)NC1CC1 ZINC000382981047 367580148 /nfs/dbraw/zinc/58/01/48/367580148.db2.gz UJPBZSROLZFTIL-SECBINFHSA-N 0 3 242.319 0.586 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCC1(C)COC1 ZINC000382983088 367580365 /nfs/dbraw/zinc/58/03/65/367580365.db2.gz UXKLRIQCKNJYQD-MRVPVSSYSA-N 0 3 212.293 0.280 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000382986869 367581224 /nfs/dbraw/zinc/58/12/24/367581224.db2.gz WIKSQNZHJHOMQB-HTQZYQBOSA-N 0 3 222.292 0.727 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC[C@@H]1CCCCO1 ZINC000382986435 367581463 /nfs/dbraw/zinc/58/14/63/367581463.db2.gz WDWREJBWENSHDN-ONGXEEELSA-N 0 3 226.320 0.812 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)[C@H](C)NC1CC1 ZINC000382985961 367581509 /nfs/dbraw/zinc/58/15/09/367581509.db2.gz VYPWZVLQRSZRIX-BDAKNGLRSA-N 0 3 214.309 0.356 20 0 BCADHN CC(C)C(=O)NCCNC(=O)[C@H](C)NC1CC1 ZINC000382986688 367581954 /nfs/dbraw/zinc/58/19/54/367581954.db2.gz WHMVCHZVINXLJK-VIFPVBQESA-N 0 3 241.335 0.015 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000382957288 367573196 /nfs/dbraw/zinc/57/31/96/367573196.db2.gz NIECWYPPQDJBPP-ATZCPNFKSA-N 0 3 226.320 0.404 20 0 BCADHN COC[C@H](NC(=O)[C@@H](C)NC1CC1)C(C)C ZINC000382962336 367573221 /nfs/dbraw/zinc/57/32/21/367573221.db2.gz OYBCUTPVGHYCCR-KOLCDFICSA-N 0 3 228.336 0.914 20 0 BCADHN C[C@H](Cn1ccnc1)NC(=O)[C@@H](C)NC1CC1 ZINC000383115249 367598401 /nfs/dbraw/zinc/59/84/01/367598401.db2.gz FVRGMXQXARNEOT-NXEZZACHSA-N 0 3 236.319 0.528 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000383141492 367600662 /nfs/dbraw/zinc/60/06/62/367600662.db2.gz JZKAYKHYIOVFFA-DTWKUNHWSA-N 0 3 236.319 0.738 20 0 BCADHN COC[C@@H](O)CNC[C@H](OC)c1ccccc1 ZINC000383161132 367602313 /nfs/dbraw/zinc/60/23/13/367602313.db2.gz KTBBFBJXLCEBFI-STQMWFEESA-N 0 3 239.315 0.971 20 0 BCADHN Cc1nc(CNC(=O)[C@@H](C)NC2CC2)no1 ZINC000383201166 367604896 /nfs/dbraw/zinc/60/48/96/367604896.db2.gz WTCWUQPFRLCQCW-ZCFIWIBFSA-N 0 3 224.264 0.135 20 0 BCADHN CCc1cnc(CNC(=O)[C@H](C)NC2CC2)o1 ZINC000383187675 367605867 /nfs/dbraw/zinc/60/58/67/367605867.db2.gz SWUVCERUSXFELQ-QMMMGPOBSA-N 0 3 237.303 0.994 20 0 BCADHN CN[C@@H](C)C(=O)N(C[C@@H](C)C(=O)OC)C1CC1 ZINC000581558322 367590240 /nfs/dbraw/zinc/59/02/40/367590240.db2.gz MWMJFNREDGQIKG-BDAKNGLRSA-N 0 3 242.319 0.394 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)CC(F)F ZINC000383048422 367591801 /nfs/dbraw/zinc/59/18/01/367591801.db2.gz MMTQYCXVWWCDEJ-ZCFIWIBFSA-N 0 3 206.236 0.850 20 0 BCADHN CSC[C@@H](C)NC(=O)[C@H](C)NC1CC1 ZINC000383073588 367593556 /nfs/dbraw/zinc/59/35/56/367593556.db2.gz REMJEYXGNPAAAW-SFYZADRCSA-N 0 3 216.350 0.995 20 0 BCADHN COC[C@@H](C)N(C)C(=O)[C@H](C)NC1CC1 ZINC000383450419 367623562 /nfs/dbraw/zinc/62/35/62/367623562.db2.gz ZLQYQPSRXHVGSX-BDAKNGLRSA-N 0 3 214.309 0.620 20 0 BCADHN CO[C@@H](CNC(=O)[C@@H](C)NC1CC1)C(C)C ZINC000383359712 367616843 /nfs/dbraw/zinc/61/68/43/367616843.db2.gz NBHSVWVQKUZMRI-KOLCDFICSA-N 0 3 228.336 0.914 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ccn(C(C)C)n1 ZINC000581606254 367630164 /nfs/dbraw/zinc/63/01/64/367630164.db2.gz ZYWWMGHPBPPJLU-SNVBAGLBSA-N 0 3 224.308 0.818 20 0 BCADHN C[C@H](C[S@](C)=O)NC(=O)[C@H](C)NC1CC1 ZINC000383396732 367618948 /nfs/dbraw/zinc/61/89/48/367618948.db2.gz RWGNJVSZGSGWLW-KUTMEBCESA-N 0 3 232.349 0.010 20 0 BCADHN COC(C)(C)CNC(=O)[C@H](C)NC1CC1 ZINC000383412709 367620242 /nfs/dbraw/zinc/62/02/42/367620242.db2.gz VNGYZLKKPVCTRV-QMMMGPOBSA-N 0 3 214.309 0.668 20 0 BCADHN O=C(Nc1cccnc1-n1cccn1)[C@H]1CCN1 ZINC000384839434 367741402 /nfs/dbraw/zinc/74/14/02/367741402.db2.gz RUISRVMUTJQORT-SNVBAGLBSA-N 0 3 243.270 0.568 20 0 BCADHN CC/C=C\CN[C@@H](C)CS(C)(=O)=O ZINC000384852966 367743948 /nfs/dbraw/zinc/74/39/48/367743948.db2.gz BYNKLGCNEVOLPJ-UDIARPCQSA-N 0 3 205.323 0.975 20 0 BCADHN CCOC[C@@H](O)CN1CCC[C@H](OCC)C1 ZINC000068950753 370864216 /nfs/dbraw/zinc/86/42/16/370864216.db2.gz MWSMHZFLGUTLFT-RYUDHWBXSA-N 0 3 231.336 0.885 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000384880391 367749293 /nfs/dbraw/zinc/74/92/93/367749293.db2.gz IHHDSAHTDWEYCA-IVZWLZJFSA-N 0 3 214.309 0.667 20 0 BCADHN COCC(COC)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000384884722 367750745 /nfs/dbraw/zinc/75/07/45/367750745.db2.gz VYPLMIZFPHOXLG-IQJOONFLSA-N 0 3 217.309 0.803 20 0 BCADHN COCCN1CC[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000622361835 370868009 /nfs/dbraw/zinc/86/80/09/370868009.db2.gz XRRPUCHRXHAGAA-MNOVXSKESA-N 0 3 238.331 0.623 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CCO[C@H]1CCCCO1 ZINC000384944712 367762799 /nfs/dbraw/zinc/76/27/99/367762799.db2.gz KVLSNLFVTWHROG-UTUOFQBUSA-N 0 3 229.320 0.985 20 0 BCADHN 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/nfs/dbraw/zinc/93/54/35/367935435.db2.gz RFDGTLQRZIOPPB-UHFFFAOYSA-N 0 3 206.236 0.981 20 0 BCADHN CCN(CC(F)F)C(=O)[C@H](CN)OC ZINC000386164923 367922603 /nfs/dbraw/zinc/92/26/03/367922603.db2.gz BVDYNOFVXIGMRZ-LURJTMIESA-N 0 3 210.224 0.074 20 0 BCADHN CC[C@H]1[C@@H](CO)CCN1CC(=O)N(C)C1CC1 ZINC000385906633 367880711 /nfs/dbraw/zinc/88/07/11/367880711.db2.gz QALSVEOZSJPPIL-PWSUYJOCSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H]1CN(C(=O)c2ncc[nH]2)CCN(C2CC2)C1 ZINC000615451388 367891627 /nfs/dbraw/zinc/89/16/27/367891627.db2.gz OUENYXAUQKLXPV-SNVBAGLBSA-N 0 3 248.330 0.966 20 0 BCADHN CN1CCC[C@H](NC(=O)CCC2(O)CCC2)C1 ZINC000630933289 367992529 /nfs/dbraw/zinc/99/25/29/367992529.db2.gz BLLPDGTZNBXJSM-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN CN1CCC[C@@H](NC(=O)C2CSC2)C1 ZINC000630935430 367995570 /nfs/dbraw/zinc/99/55/70/367995570.db2.gz VOOFGLPPLJYPDM-SECBINFHSA-N 0 3 214.334 0.560 20 0 BCADHN CCCCN(C)[C@H](C)C(=O)NC(N)=O ZINC000023696671 367997221 /nfs/dbraw/zinc/99/72/21/367997221.db2.gz NHCRPAUPOZLXEF-SSDOTTSWSA-N 0 3 201.270 0.302 20 0 BCADHN CN1CCC[C@@H](NC(=O)CC2CSC2)C1 ZINC000630937175 367998870 /nfs/dbraw/zinc/99/88/70/367998870.db2.gz ARHOPLGJJAALKM-SNVBAGLBSA-N 0 3 228.361 0.950 20 0 BCADHN C[C@@H]1[C@@H](CO)CCN1C[C@@H](O)C(F)(F)F ZINC000386279560 367944523 /nfs/dbraw/zinc/94/45/23/367944523.db2.gz NTDYEVXAZATSBK-BWZBUEFSSA-N 0 3 227.226 0.612 20 0 BCADHN C[C@@H]1[C@@H](CO)CCN1C[C@H](O)C(F)(F)F ZINC000386279567 367945046 /nfs/dbraw/zinc/94/50/46/367945046.db2.gz NTDYEVXAZATSBK-PRJMDXOYSA-N 0 3 227.226 0.612 20 0 BCADHN CCNC(=O)CN[C@@H](CO)C1CCCCC1 ZINC000386416910 367964152 /nfs/dbraw/zinc/96/41/52/367964152.db2.gz XTAHBVJEJKXFJX-NSHDSACASA-N 0 3 228.336 0.653 20 0 BCADHN CC[C@H](NC[C@@H](O)C(F)(F)F)[C@H](C)O ZINC000386955730 368039634 /nfs/dbraw/zinc/03/96/34/368039634.db2.gz YGHRGEATQNGKFX-LYFYHCNISA-N 0 3 215.215 0.659 20 0 BCADHN C[C@@H]1CC[C@@H](N(C)CC(=O)N2CCNC2=O)C1 ZINC000581980161 368041013 /nfs/dbraw/zinc/04/10/13/368041013.db2.gz 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CN1CC[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]21 ZINC000615850050 368531913 /nfs/dbraw/zinc/53/19/13/368531913.db2.gz MDUSTLXJATVWSX-BDAKNGLRSA-N 0 3 220.276 0.186 20 0 BCADHN CC[C@@H](C)N(C)CC(=O)NC(=O)NC1CC1 ZINC000060575136 368547517 /nfs/dbraw/zinc/54/75/17/368547517.db2.gz KHRUHYSTNVWTID-MRVPVSSYSA-N 0 3 227.308 0.705 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000108330199 368568974 /nfs/dbraw/zinc/56/89/74/368568974.db2.gz CLJNJAAKCVZJGN-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN COCCCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000063114431 368580379 /nfs/dbraw/zinc/58/03/79/368580379.db2.gz AJGXBEAYXSWXOK-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN COC(=O)[C@H](C)NC(=O)CN(C)C(C)C ZINC000063466166 368585220 /nfs/dbraw/zinc/58/52/20/368585220.db2.gz KWPTWUIDNVYRCC-QMMMGPOBSA-N 0 3 216.281 0.004 20 0 BCADHN C[C@@H]1CCCN(C(C)(C)CNS(N)(=O)=O)C1 ZINC000064960305 368617169 /nfs/dbraw/zinc/61/71/69/368617169.db2.gz MLPUOJMUKRBTKM-SECBINFHSA-N 0 3 249.380 0.290 20 0 BCADHN C[C@@H]1CN(CCCC(=O)N(C)C)[C@@H](C)CN1C ZINC000567120820 326119590 /nfs/dbraw/zinc/11/95/90/326119590.db2.gz OAGLXCILKYYZPM-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN O=C(NC1CC[NH2+]CC1)c1ccc2n[n-]nc2c1 ZINC000082271703 368662800 /nfs/dbraw/zinc/66/28/00/368662800.db2.gz OVKQWSSDZYHSNN-UHFFFAOYSA-N 0 3 245.286 0.440 20 0 BCADHN COC(=O)[C@H]1CCCN(CCn2cncn2)C1 ZINC000066831990 368662838 /nfs/dbraw/zinc/66/28/38/368662838.db2.gz WGPYBDHQSPQKIS-JTQLQIEISA-N 0 3 238.291 0.163 20 0 BCADHN CSCCNC(=O)NCCOCCN(C)C ZINC000615934219 368702377 /nfs/dbraw/zinc/70/23/77/368702377.db2.gz FPABSLNHSQOIMO-UHFFFAOYSA-N 0 3 249.380 0.227 20 0 BCADHN CC[C@H](OC)C(=O)N(C)C1CCN(C)CC1 ZINC000068467878 368726868 /nfs/dbraw/zinc/72/68/68/368726868.db2.gz GKDFQZFTDBFLOK-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN Cc1c(C(=O)NCCN(C)C2CC2)cnn1C ZINC000067866430 368704150 /nfs/dbraw/zinc/70/41/50/368704150.db2.gz KQYPDVMURSLRDK-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN CCN(CCO)C[C@@H](O)COc1ccccc1 ZINC000068049258 368710831 /nfs/dbraw/zinc/71/08/31/368710831.db2.gz MGBWDCHOHRMAOW-GFCCVEGCSA-N 0 3 239.315 0.741 20 0 BCADHN CC[C@@H](OC)C(=O)NC[C@H](C)N(C)C ZINC000068182110 368717562 /nfs/dbraw/zinc/71/75/62/368717562.db2.gz AGTZRZWPCBGTBM-DTWKUNHWSA-N 0 3 202.298 0.478 20 0 BCADHN CCC[C@H](C(=O)N1C[C@H](C)C[C@@H](O)C1)N(C)C ZINC000457014012 203000632 /nfs/dbraw/zinc/00/06/32/203000632.db2.gz WDYULRIRCYFTPY-IJLUTSLNSA-N 0 3 242.363 0.946 20 0 BCADHN CCN(C)CCNC(=O)c1cccnc1 ZINC000066958208 368670629 /nfs/dbraw/zinc/67/06/29/368670629.db2.gz QUFVCZLFLSMPCF-UHFFFAOYSA-N 0 3 207.277 0.763 20 0 BCADHN CCc1nnsc1C(=O)NCCN(C)CC ZINC000066958951 368670933 /nfs/dbraw/zinc/67/09/33/368670933.db2.gz WFSRVQOOVASVPP-UHFFFAOYSA-N 0 3 242.348 0.782 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000068486400 368728757 /nfs/dbraw/zinc/72/87/57/368728757.db2.gz YGUSHSZXFUGTHV-JTQLQIEISA-N 0 3 234.303 0.643 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1CC1(F)F ZINC000622460086 370932053 /nfs/dbraw/zinc/93/20/53/370932053.db2.gz CMWMIPRMJAJAHY-IONNQARKSA-N 0 3 236.262 0.070 20 0 BCADHN CN(C)CC(C)(C)NC(=O)[C@H](O)C1CCC1 ZINC000457234543 203023745 /nfs/dbraw/zinc/02/37/45/203023745.db2.gz JHPZKWHITDVAAI-SNVBAGLBSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C(=O)NC[C@@H]1CC=CCC1)S(C)(=O)=O ZINC000068828891 368737307 /nfs/dbraw/zinc/73/73/07/368737307.db2.gz SHBABGLXUNUYJH-NXEZZACHSA-N 0 3 245.344 0.892 20 0 BCADHN Cc1cc(C(=O)NC(C)(C)CN(C)C)cnn1 ZINC000457247173 203028692 /nfs/dbraw/zinc/02/86/92/203028692.db2.gz SJLYXIBRPOHDQG-UHFFFAOYSA-N 0 3 236.319 0.855 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](CCCO)C1 ZINC000457107837 203006748 /nfs/dbraw/zinc/00/67/48/203006748.db2.gz GKKYHSDSMAWAOM-GFCCVEGCSA-N 0 3 242.363 0.949 20 0 BCADHN CCOCC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457092979 203007390 /nfs/dbraw/zinc/00/73/90/203007390.db2.gz XTZWOITWOFIDSP-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000068522380 368729429 /nfs/dbraw/zinc/72/94/29/368729429.db2.gz 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N[C@H](C(=O)N[C@@H]1CCCC[C@H]1O)C1CCC1 ZINC000332504982 181606875 /nfs/dbraw/zinc/60/68/75/181606875.db2.gz YBRUHCITMWSYIA-MXWKQRLJSA-N 0 3 226.320 0.534 20 0 BCADHN C[C@@H]1CCN(c2nc(N)nc(N)n2)C[C@@H](C)C1 ZINC000624058758 371284469 /nfs/dbraw/zinc/28/44/69/371284469.db2.gz DBIRDCZVBXKCNB-SFYZADRCSA-N 0 3 236.323 0.569 20 0 BCADHN Cc1cc(CNCCCS(C)(=O)=O)ccn1 ZINC000391166096 371273118 /nfs/dbraw/zinc/27/31/18/371273118.db2.gz IYXBEOZUFQQLIU-UHFFFAOYSA-N 0 3 242.344 0.914 20 0 BCADHN CC(C)(C)[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624098857 371304591 /nfs/dbraw/zinc/30/45/91/371304591.db2.gz VXPYZNBDSJLRGX-SSDOTTSWSA-N 0 3 236.323 0.569 20 0 BCADHN C[C@H]1CN(c2nc(N)nc(N)n2)CC(C)(C)C1 ZINC000624097910 371305369 /nfs/dbraw/zinc/30/53/69/371305369.db2.gz IVPUTDHYWGAYOJ-SSDOTTSWSA-N 0 3 236.323 0.569 20 0 BCADHN C[C@@H](CCC1CC1)Nc1nc(N)nc(N)n1 ZINC000624108163 371312243 /nfs/dbraw/zinc/31/22/43/371312243.db2.gz KPNVMIMMPXKZHC-LURJTMIESA-N 0 3 222.296 0.109 20 0 BCADHN 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Cc1cccc(CCN2C[C@H](O)[C@@H](CO)C2)c1 ZINC000459700743 206137620 /nfs/dbraw/zinc/13/76/20/206137620.db2.gz KEJDFMLYUNHCAY-KGLIPLIRSA-N 0 3 235.327 0.823 20 0 BCADHN O=C(Nc1ccc2c(c1)CCO2)[C@@H]1C[C@H](O)CN1 ZINC000037045149 182364193 /nfs/dbraw/zinc/36/41/93/182364193.db2.gz PFMNUFJUSJDTSJ-QWRGUYRKSA-N 0 3 248.282 0.283 20 0 BCADHN O=C(Nc1ccc2c(c1)CCC2)[C@H]1C[C@@H](O)CN1 ZINC000020434165 182364554 /nfs/dbraw/zinc/36/45/54/182364554.db2.gz YGRAIGIYLKMEKD-CHWSQXEVSA-N 0 3 246.310 0.837 20 0 BCADHN O=C(Nc1cccnc1)c1n[nH]c2c1CNCC2 ZINC000082807036 182383887 /nfs/dbraw/zinc/38/38/87/182383887.db2.gz BTWXYNCUZQZHCK-UHFFFAOYSA-N 0 3 243.270 0.703 20 0 BCADHN O=C(Nc1ncccc1[O-])[C@@H]1CCC[NH2+]C1 ZINC000082259471 182399513 /nfs/dbraw/zinc/39/95/13/182399513.db2.gz QAHHUYYILYHETH-MRVPVSSYSA-N 0 3 221.260 0.725 20 0 BCADHN O=C(Nc1cncnc1)N1CCN2CCC[C@@H]2C1 ZINC000274402716 182394915 /nfs/dbraw/zinc/39/49/15/182394915.db2.gz ZDMGHQQQGIPNMR-LLVKDONJSA-N 0 3 247.302 0.789 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H](C)COCC ZINC000044723985 170096244 /nfs/dbraw/zinc/09/62/44/170096244.db2.gz ASUKQXDCLRKEJK-BDAKNGLRSA-N 0 3 202.298 0.526 20 0 BCADHN CCOC(=O)CCCN1CCC(O)CC1 ZINC000057592494 170201437 /nfs/dbraw/zinc/20/14/37/170201437.db2.gz KQNQEBZTHHCXGX-UHFFFAOYSA-N 0 3 215.293 0.786 20 0 BCADHN CCOC(=O)CCNC(=O)[C@@H](N)CC(F)F ZINC000309175985 170208254 /nfs/dbraw/zinc/20/82/54/170208254.db2.gz CLAKGKRHZIEUAT-LURJTMIESA-N 0 3 238.234 0.038 20 0 BCADHN O=C(c1cn[nH]n1)N1CC[C@H](N2CCCCC2)C1 ZINC000113427239 182647490 /nfs/dbraw/zinc/64/74/90/182647490.db2.gz HSIKQCQTIDAEGC-JTQLQIEISA-N 0 3 249.318 0.505 20 0 BCADHN CC[C@@H](C(N)=O)N(C)C[C@H]1CCCN1C ZINC000252571065 535449589 /nfs/dbraw/zinc/44/95/89/535449589.db2.gz ATUAKYPUXIZBBX-ZJUUUORDSA-N 0 3 213.325 0.276 20 0 BCADHN O=C1NCCCC[C@@H]1NCC1=CCCOC1 ZINC000124645265 182797959 /nfs/dbraw/zinc/79/79/59/182797959.db2.gz LNNRQGJYCIRJNN-NSHDSACASA-N 0 3 224.304 0.591 20 0 BCADHN O=C1NCCC[C@H]1N1CCC(CCCO)CC1 ZINC000360090882 182802529 /nfs/dbraw/zinc/80/25/29/182802529.db2.gz ZIRPSJJRCXSDCW-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN CCOC(CN1CC[C@H](O)C1)OCC ZINC000082164032 170315526 /nfs/dbraw/zinc/31/55/26/170315526.db2.gz RGYJGWMZZIZUAS-VIFPVBQESA-N 0 3 203.282 0.452 20 0 BCADHN CC[C@@H](C(N)=O)N(C)CC[C@@H]1CCCO1 ZINC000342609887 535449880 /nfs/dbraw/zinc/44/98/80/535449880.db2.gz WKBZHWMPMYAXHO-UWVGGRQHSA-N 0 3 214.309 0.751 20 0 BCADHN O=c1cnccn1CCN1CCCCC1 ZINC000308999470 183006720 /nfs/dbraw/zinc/00/67/20/183006720.db2.gz YPJLEERRYUPERH-UHFFFAOYSA-N 0 3 207.277 0.729 20 0 BCADHN OC1(CN2CCc3ncccc3C2)CCOCC1 ZINC000372154541 183018882 /nfs/dbraw/zinc/01/88/82/183018882.db2.gz AGBGQOHZPSIZSC-UHFFFAOYSA-N 0 3 248.326 0.981 20 0 BCADHN OC1(CN2C[C@@H]3COC[C@H](C2)O3)CCCC1 ZINC000338385743 183019050 /nfs/dbraw/zinc/01/90/50/183019050.db2.gz WMQAZZHHYGUMIP-PHIMTYICSA-N 0 3 227.304 0.391 20 0 BCADHN CCCC[C@@H](N)C(=O)NCC(=O)NC(C)(C)C ZINC000037619437 168967147 /nfs/dbraw/zinc/96/71/47/168967147.db2.gz XMJRMPHCXBHUJM-SECBINFHSA-N 0 3 243.351 0.535 20 0 BCADHN OCC(CO)NCc1ccc(Cl)cc1 ZINC000083692934 183033941 /nfs/dbraw/zinc/03/39/41/183033941.db2.gz CMIWFZFKFJSKIF-UHFFFAOYSA-N 0 3 215.680 0.783 20 0 BCADHN OCC1(NCc2cncnc2)CCCC1 ZINC000054768246 183038486 /nfs/dbraw/zinc/03/84/86/183038486.db2.gz IDMWTFFXBCBCPK-UHFFFAOYSA-N 0 3 207.277 0.871 20 0 BCADHN OCCCCN1CCSC[C@H]1CO ZINC000308365643 183050361 /nfs/dbraw/zinc/05/03/61/183050361.db2.gz HOBRKYZYJSGSJT-SECBINFHSA-N 0 3 205.323 0.169 20 0 BCADHN OCCCN1CCCN(c2ncccn2)CC1 ZINC000363450254 183054416 /nfs/dbraw/zinc/05/44/16/183054416.db2.gz PPPXRHHUDQDWQK-UHFFFAOYSA-N 0 3 236.319 0.371 20 0 BCADHN OCCCN1CC[C@H](COC(F)F)C1 ZINC000353005369 183056130 /nfs/dbraw/zinc/05/61/30/183056130.db2.gz COKCRNGEEHNBDU-QMMMGPOBSA-N 0 3 209.236 0.930 20 0 BCADHN OCCCNCc1cc(C(F)(F)F)n[nH]1 ZINC000308906409 183058070 /nfs/dbraw/zinc/05/80/70/183058070.db2.gz DOPIOVYQTYBBKL-UHFFFAOYSA-N 0 3 223.198 0.901 20 0 BCADHN OCCCNCc1ccc2c(c1)OCCO2 ZINC000020188509 183058202 /nfs/dbraw/zinc/05/82/02/183058202.db2.gz WAGYQHDYYXLLRB-UHFFFAOYSA-N 0 3 223.272 0.930 20 0 BCADHN OCCN(C[C@H](O)C(F)(F)F)CC1CC1 ZINC000121067625 183063905 /nfs/dbraw/zinc/06/39/05/183063905.db2.gz KCIJWGWKFZICDR-QMMMGPOBSA-N 0 3 227.226 0.614 20 0 BCADHN OCCN(CCO)CC[C@H](O)c1ccccc1 ZINC000041164976 183065661 /nfs/dbraw/zinc/06/56/61/183065661.db2.gz LFVMCIQHKCCCCB-ZDUSSCGKSA-N 0 3 239.315 0.397 20 0 BCADHN OCCN1CCCN(c2ccc(F)cn2)CC1 ZINC000071349758 183074573 /nfs/dbraw/zinc/07/45/73/183074573.db2.gz YJYNSEIIFQKXOG-UHFFFAOYSA-N 0 3 239.294 0.725 20 0 BCADHN OCCNc1ccncc1-c1cccnc1 ZINC000368602345 183076348 /nfs/dbraw/zinc/07/63/48/183076348.db2.gz JPSAWOLIRHQLCY-UHFFFAOYSA-N 0 3 215.256 0.970 20 0 BCADHN OCCOCCN1CCC(c2cn[nH]c2)CC1 ZINC000363500991 183081568 /nfs/dbraw/zinc/08/15/68/183081568.db2.gz XGAVYRWVRJYTKU-UHFFFAOYSA-N 0 3 239.319 0.598 20 0 BCADHN OCCOCCNCc1c[nH]c2nccnc12 ZINC000356131677 183084206 /nfs/dbraw/zinc/08/42/06/183084206.db2.gz GIMPBKPICOFOAT-UHFFFAOYSA-N 0 3 236.275 0.008 20 0 BCADHN OCCOCCN[C@@H](CO)c1ccsc1 ZINC000336739732 183084389 /nfs/dbraw/zinc/08/43/89/183084389.db2.gz SUKAPWYSIVQKQO-JTQLQIEISA-N 0 3 231.317 0.380 20 0 BCADHN OCCOCCNCc1cnn(CC(F)F)c1 ZINC000292860417 183084777 /nfs/dbraw/zinc/08/47/77/183084777.db2.gz BEKZQRODSDEKEP-UHFFFAOYSA-N 0 3 249.261 0.247 20 0 BCADHN OCCOCCN[C@H]1CCCc2n[nH]cc21 ZINC000309528883 183085976 /nfs/dbraw/zinc/08/59/76/183085976.db2.gz BLJNJTLOLYDSJR-JTQLQIEISA-N 0 3 225.292 0.386 20 0 BCADHN OCCO[C@@H]1CCCN([C@@H]2CCOC2)C1 ZINC000336653796 183086881 /nfs/dbraw/zinc/08/68/81/183086881.db2.gz YPQOVPTZAKTIIL-GHMZBOCLSA-N 0 3 215.293 0.249 20 0 BCADHN CCCC[C@H](COC)NC(=O)[C@@H](CN)OC ZINC000352915822 169003310 /nfs/dbraw/zinc/00/33/10/169003310.db2.gz PTKMYOGPURAKEZ-NXEZZACHSA-N 0 3 232.324 0.282 20 0 BCADHN CCCC[C@H](N)C(=O)N1CCO[C@@H](C)C1 ZINC000037480411 169005690 /nfs/dbraw/zinc/00/56/90/169005690.db2.gz YKWXHIMVNVUNHR-UWVGGRQHSA-N 0 3 214.309 0.751 20 0 BCADHN CCCC[C@H](N)C(=O)N1CCN(C2CC2)CC1 ZINC000037827035 169005837 /nfs/dbraw/zinc/00/58/37/169005837.db2.gz QKSLBPRASHNCQL-LBPRGKRZSA-N 0 3 239.363 0.811 20 0 BCADHN CCCC[C@H](N)C(=O)N(CCOC)CCOC ZINC000037619522 169005979 /nfs/dbraw/zinc/00/59/79/169005979.db2.gz OUQIAFIAMWVGGB-NSHDSACASA-N 0 3 246.351 0.625 20 0 BCADHN CCCC[C@H](N)C(=O)NCC(=O)NC(C)C ZINC000037480625 169006072 /nfs/dbraw/zinc/00/60/72/169006072.db2.gz GSKDGBGGKVXLNE-VIFPVBQESA-N 0 3 229.324 0.145 20 0 BCADHN CCCC[C@H](N)C(=O)N1CCN(C)CC1 ZINC000037480378 169006198 /nfs/dbraw/zinc/00/61/98/169006198.db2.gz POPHMZPVHTZDIX-JTQLQIEISA-N 0 3 213.325 0.278 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726721 169008208 /nfs/dbraw/zinc/00/82/08/169008208.db2.gz BCSCPJHJYOHSDC-PWSUYJOCSA-N 0 3 239.363 0.857 20 0 BCADHN OCC[C@]1(NCc2cccnc2)CCOC1 ZINC000278516135 183098947 /nfs/dbraw/zinc/09/89/47/183098947.db2.gz QZBJMQOXJAKUSJ-LBPRGKRZSA-N 0 3 222.288 0.713 20 0 BCADHN OC[C@@H](CNCc1cccnc1)[C@H]1CCOC1 ZINC000360768675 183106338 /nfs/dbraw/zinc/10/63/38/183106338.db2.gz YGLXQQQYQRBVEX-QWHCGFSZSA-N 0 3 236.315 0.816 20 0 BCADHN OC[C@@H](NCCn1cccn1)[C@H]1CCCO1 ZINC000336719937 183107277 /nfs/dbraw/zinc/10/72/77/183107277.db2.gz YMKKLRSLOQWFCF-GHMZBOCLSA-N 0 3 225.292 0.013 20 0 BCADHN OC[C@@H](NCC1=CCCOC1)[C@@H]1CCCO1 ZINC000309556421 183107408 /nfs/dbraw/zinc/10/74/08/183107408.db2.gz HSOCEBUQVTUMEL-NEPJUHHUSA-N 0 3 227.304 0.463 20 0 BCADHN OC[C@@H](O)CNCC1=Cc2ccccc2OC1 ZINC000276844408 183111251 /nfs/dbraw/zinc/11/12/51/183111251.db2.gz ZBEDYROWTDEWCR-LBPRGKRZSA-N 0 3 235.283 0.405 20 0 BCADHN OC[C@@]1(NCc2ccc3c[nH]nc3c2)CCOC1 ZINC000184181229 183134085 /nfs/dbraw/zinc/13/40/85/183134085.db2.gz QEPHAWKOENEQKP-ZDUSSCGKSA-N 0 3 247.298 0.804 20 0 BCADHN OC[C@H](CNCc1cccnc1)[C@H]1CCOC1 ZINC000360768676 183137802 /nfs/dbraw/zinc/13/78/02/183137802.db2.gz YGLXQQQYQRBVEX-STQMWFEESA-N 0 3 236.315 0.816 20 0 BCADHN OC[C@H](O)CNCc1cc(F)cc(F)c1 ZINC000083348833 183143226 /nfs/dbraw/zinc/14/32/26/183143226.db2.gz LPYZWMQRJMZVHR-SNVBAGLBSA-N 0 3 217.215 0.408 20 0 BCADHN OC[C@@H]1CC[C@H](CNCc2cccnc2)O1 ZINC000292824509 183124759 /nfs/dbraw/zinc/12/47/59/183124759.db2.gz XGQMPCGQQSSPII-NEPJUHHUSA-N 0 3 222.288 0.711 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1CCc1ccccc1F ZINC000187663692 183129117 /nfs/dbraw/zinc/12/91/17/183129117.db2.gz MARSTNZMHHBNJD-RYUDHWBXSA-N 0 3 239.290 0.796 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1C[C@H](O)CC1CCCC1 ZINC000354729370 183129135 /nfs/dbraw/zinc/12/91/35/183129135.db2.gz JEFZDOVFKFYPCR-XQQFMLRXSA-N 0 3 243.347 0.355 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1C[C@H]1CCC=CO1 ZINC000373896769 183129961 /nfs/dbraw/zinc/12/99/61/183129961.db2.gz HQNQAXOUBIUFOL-HBNTYKKESA-N 0 3 213.277 0.107 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1C[C@H](O)c1ccccc1 ZINC000186540101 183130008 /nfs/dbraw/zinc/13/00/08/183130008.db2.gz IUYGCLGKLZQKMX-AVGNSLFASA-N 0 3 237.299 0.148 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1CCCc1ccncc1 ZINC000330976466 183130140 /nfs/dbraw/zinc/13/01/40/183130140.db2.gz CUWWAJWDHIBQQJ-STQMWFEESA-N 0 3 236.315 0.442 20 0 BCADHN OC[C@H]1CCCN(CCn2cncn2)CC1 ZINC000331449073 183149078 /nfs/dbraw/zinc/14/90/78/183149078.db2.gz LLGPUNLQSRORLJ-NSHDSACASA-N 0 3 224.308 0.373 20 0 BCADHN OC[C@]1(F)CCN(CC2CCOCC2)C1 ZINC000336244800 183157805 /nfs/dbraw/zinc/15/78/05/183157805.db2.gz FWHWWDPUUVITAQ-NSHDSACASA-N 0 3 217.284 0.819 20 0 BCADHN OC[C@]1(F)CCN(CC[C@@H]2CCCO2)C1 ZINC000338586289 183157928 /nfs/dbraw/zinc/15/79/28/183157928.db2.gz FCJCHISRIZSZII-QWRGUYRKSA-N 0 3 217.284 0.962 20 0 BCADHN OCc1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000366430092 183163796 /nfs/dbraw/zinc/16/37/96/183163796.db2.gz JARIPGOXUDWYIW-WDNDVIMCSA-N 0 3 233.311 0.849 20 0 BCADHN OCc1ccc(CNC[C@@H](O)C2CC2)o1 ZINC000081575126 183164578 /nfs/dbraw/zinc/16/45/78/183164578.db2.gz SGEMECFWUJVKPG-LLVKDONJSA-N 0 3 211.261 0.632 20 0 BCADHN CCCN(C)C(=O)CNC[C@H]1CCCO1 ZINC000236761226 169052003 /nfs/dbraw/zinc/05/20/03/169052003.db2.gz FNSJXPRCAWLXAJ-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN O[C@@H](CCN1C[C@@H](O)[C@H](O)C1)c1ccccc1 ZINC000289493014 183174502 /nfs/dbraw/zinc/17/45/02/183174502.db2.gz STTRDAWQFIGZJH-YNEHKIRRSA-N 0 3 237.299 0.148 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@@H](CC)C1 ZINC000340775892 169068074 /nfs/dbraw/zinc/06/80/74/169068074.db2.gz OTTGYYXRVSPIAN-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN CCCN(C)CC(=O)N1CCO[C@H](C2CC2)C1 ZINC000362501984 169069294 /nfs/dbraw/zinc/06/92/94/169069294.db2.gz ITPKHPDWMFKLGN-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](C)N(C)C ZINC000359254189 169070389 /nfs/dbraw/zinc/07/03/89/169070389.db2.gz SPDHKLVJAWEIJR-SNVBAGLBSA-N 0 3 215.341 0.395 20 0 BCADHN CCCN(C)CC(=O)NCCCC(=O)N(C)C ZINC000359246793 169070456 /nfs/dbraw/zinc/07/04/56/169070456.db2.gz CZOHZJCEYSCPCE-UHFFFAOYSA-N 0 3 243.351 0.313 20 0 BCADHN CCCN(C)CC(=O)NC1(CO)CCCC1 ZINC000330729371 169070662 /nfs/dbraw/zinc/07/06/62/169070662.db2.gz OADNPEHWPVDHPK-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN CCCN(C)CC(=O)NCC[C@H](O)C(C)C ZINC000357226950 169070683 /nfs/dbraw/zinc/07/06/83/169070683.db2.gz GWJIQDGRUVLINO-NSHDSACASA-N 0 3 230.352 0.851 20 0 BCADHN CCCN(C)CC(=O)NCC1(CO)CCCC1 ZINC000354228571 169071523 /nfs/dbraw/zinc/07/15/23/169071523.db2.gz TZVTWZSXWPKGAD-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](CC)CCO ZINC000356159568 169071833 /nfs/dbraw/zinc/07/18/33/169071833.db2.gz ADKZBGGMDMVNIR-NSHDSACASA-N 0 3 230.352 0.853 20 0 BCADHN CCCN(C)CC(=O)NC[C@H]1CCCN1CC ZINC000359249917 169072482 /nfs/dbraw/zinc/07/24/82/169072482.db2.gz YFGKXJDETBAERK-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)Cn1cncn1 ZINC000359255568 169073048 /nfs/dbraw/zinc/07/30/48/169073048.db2.gz WFCHFPXXAVXIBY-JTQLQIEISA-N 0 3 239.323 0.125 20 0 BCADHN CCCN(C)CC(=O)NCc1ccnn1C ZINC000359346989 169073150 /nfs/dbraw/zinc/07/31/50/169073150.db2.gz SARGRYBIYVCCDI-UHFFFAOYSA-N 0 3 224.308 0.378 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)c1ncon1 ZINC000330726467 169074076 /nfs/dbraw/zinc/07/40/76/169074076.db2.gz FGUXOMMAPNRDGJ-QMMMGPOBSA-N 0 3 226.280 0.589 20 0 BCADHN CCCN(C)CC(=O)NCc1cc(C)nn1C ZINC000356166496 169074136 /nfs/dbraw/zinc/07/41/36/169074136.db2.gz PXMVQPMHAWQKTP-UHFFFAOYSA-N 0 3 238.335 0.687 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)[C@H](C)CO ZINC000339809447 169074756 /nfs/dbraw/zinc/07/47/56/169074756.db2.gz XATRXFQUYOYDQW-NXEZZACHSA-N 0 3 216.325 0.461 20 0 BCADHN O[C@@H]1CN(CCCc2cccc(F)c2)C[C@H]1O ZINC000278733275 183205634 /nfs/dbraw/zinc/20/56/34/183205634.db2.gz LFYIURWNNSOALA-CHWSQXEVSA-N 0 3 239.290 0.796 20 0 BCADHN O[C@@H]1CN(Cc2cccc3[nH]ccc32)C[C@H]1O ZINC000278366538 183205805 /nfs/dbraw/zinc/20/58/05/183205805.db2.gz KDSSOSGHWUJQGH-CHWSQXEVSA-N 0 3 232.283 0.705 20 0 BCADHN O[C@@H]1CN(Cc2cccc3cccnc32)C[C@H]1O ZINC000236523725 183205826 /nfs/dbraw/zinc/20/58/26/183205826.db2.gz GPHRXQQYXKYRIG-CHWSQXEVSA-N 0 3 244.294 0.772 20 0 BCADHN O[C@@H]1CN(CCCc2ccccc2)C[C@H]1O ZINC000236527493 183206022 /nfs/dbraw/zinc/20/60/22/183206022.db2.gz WVAKSGFMSLUMMR-CHWSQXEVSA-N 0 3 221.300 0.657 20 0 BCADHN O[C@@H]1CN(CCSc2ccccc2)C[C@H]1O ZINC000236528885 183206062 /nfs/dbraw/zinc/20/60/62/183206062.db2.gz NQAZIYMOFOBAIC-VXGBXAGGSA-N 0 3 239.340 0.816 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CC)CCO ZINC000339435322 169076639 /nfs/dbraw/zinc/07/66/39/169076639.db2.gz BGSHYHIJSKDIBE-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN O[C@@H]1CC[C@H]2CN(Cc3cn[nH]n3)C[C@H]2C1 ZINC000331489928 183206864 /nfs/dbraw/zinc/20/68/64/183206864.db2.gz MWKFKMOXZUNMEG-IQJOONFLSA-N 0 3 222.292 0.398 20 0 BCADHN O[C@@H]1CC[C@H]2CN(Cc3c[nH]nn3)C[C@H]2C1 ZINC000331489928 183206865 /nfs/dbraw/zinc/20/68/65/183206865.db2.gz MWKFKMOXZUNMEG-IQJOONFLSA-N 0 3 222.292 0.398 20 0 BCADHN CCCN(C)CC(=O)N(C)Cc1nncn1C ZINC000360480783 169064380 /nfs/dbraw/zinc/06/43/80/169064380.db2.gz FNUZNACLPAMWCM-UHFFFAOYSA-N 0 3 239.323 0.115 20 0 BCADHN O[C@@H]1CCCN(Cc2c[nH]c3nccnc23)C1 ZINC000284289004 183192452 /nfs/dbraw/zinc/19/24/52/183192452.db2.gz UFERGUFPLHIRIT-SNVBAGLBSA-N 0 3 232.287 0.915 20 0 BCADHN CCCN(C)CC(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000339190556 169065361 /nfs/dbraw/zinc/06/53/61/169065361.db2.gz RPCZHXQMMDJGBG-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN CCCN(C)CC(=O)N(CC)CCCO ZINC000339837392 169065390 /nfs/dbraw/zinc/06/53/90/169065390.db2.gz WIZAQYAZXVHPKM-UHFFFAOYSA-N 0 3 216.325 0.559 20 0 BCADHN O[C@@H]1COC[C@H]1N1CCC([C@H]2CCCO2)CC1 ZINC000361397356 183210121 /nfs/dbraw/zinc/21/01/21/183210121.db2.gz XMQSXXSZKLUJIU-JHJVBQTASA-N 0 3 241.331 0.637 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CC[C@]2(C1)CCCOC2 ZINC000361379038 183210703 /nfs/dbraw/zinc/21/07/03/183210703.db2.gz TUFABQIVJDAATO-TUAOUCFPSA-N 0 3 227.304 0.249 20 0 BCADHN O[C@@H]1COC[C@H]1N1CCCC2(CCOCC2)C1 ZINC000361307753 183210839 /nfs/dbraw/zinc/21/08/39/183210839.db2.gz HYTRZJUUPNQERM-VXGBXAGGSA-N 0 3 241.331 0.639 20 0 BCADHN CCCN(CC(=O)NC)C[C@H](O)C(C)C ZINC000340292388 169094991 /nfs/dbraw/zinc/09/49/91/169094991.db2.gz UJGRFKGIBYVRTM-JTQLQIEISA-N 0 3 216.325 0.461 20 0 BCADHN O[C@@]1(CNCc2cccnc2)CCOC1 ZINC000229638473 183216713 /nfs/dbraw/zinc/21/67/13/183216713.db2.gz YMPGSEHSKMZXIB-LLVKDONJSA-N 0 3 208.261 0.323 20 0 BCADHN O[C@H](Cc1ccc(F)cc1)CN1CC[C@H](O)C1 ZINC000292945212 183239428 /nfs/dbraw/zinc/23/94/28/183239428.db2.gz BQNUTCXJNQNAGQ-QWHCGFSZSA-N 0 3 239.290 0.796 20 0 BCADHN O[C@@H]1c2ccccc2C[C@H]1N1CC[C@H](O)C1 ZINC000272047184 183239789 /nfs/dbraw/zinc/23/97/89/183239789.db2.gz YWGGOAPXCLBFOK-CYZMBNFOSA-N 0 3 219.284 0.711 20 0 BCADHN O[C@@H]1CN(CCCc2ccccc2)C[C@@H]1O ZINC000086331630 183243524 /nfs/dbraw/zinc/24/35/24/183243524.db2.gz WVAKSGFMSLUMMR-BETUJISGSA-N 0 3 221.300 0.657 20 0 BCADHN O[C@H]1CN(Cc2coc3ccccc23)C[C@@H]1O ZINC000336329399 183244015 /nfs/dbraw/zinc/24/40/15/183244015.db2.gz QDJROFBXZJOOBM-RYUDHWBXSA-N 0 3 233.267 0.970 20 0 BCADHN O[C@H]1CN(CCO[C@@H]2CCCCO2)CC12CC2 ZINC000375718633 183244588 /nfs/dbraw/zinc/24/45/88/183244588.db2.gz KAUDCMCMEFBYKG-NWDGAFQWSA-N 0 3 241.331 0.986 20 0 BCADHN O[C@@H](CN1CCOC[C@H](O)C1)C1CCCCC1 ZINC000332375606 183245557 /nfs/dbraw/zinc/24/55/57/183245557.db2.gz WOYVWNVJJGZFAG-OLZOCXBDSA-N 0 3 243.347 0.621 20 0 BCADHN O[C@H]1COC[C@@H]1N1CCN(C2CCCC2)CC1 ZINC000340275771 183246884 /nfs/dbraw/zinc/24/68/84/183246884.db2.gz DOJBIZSSYVPFJO-STQMWFEESA-N 0 3 240.347 0.306 20 0 BCADHN CCCN(CC)CC1(O)CCS(=O)(=O)CC1 ZINC000336680425 169120899 /nfs/dbraw/zinc/12/08/99/169120899.db2.gz QBEXHVOUZMQBSJ-UHFFFAOYSA-N 0 3 249.376 0.658 20 0 BCADHN O[C@]1(CNCc2ccc3c[nH]nc3c2)CCOC1 ZINC000179026282 183251273 /nfs/dbraw/zinc/25/12/73/183251273.db2.gz BSRZWRKNLBPOBZ-ZDUSSCGKSA-N 0 3 247.298 0.804 20 0 BCADHN O[C@]1(CN[C@H]2CCCc3n[nH]cc32)CCOC1 ZINC000367614601 183251773 /nfs/dbraw/zinc/25/17/73/183251773.db2.gz IISQRFJKHDJIQN-JQWIXIFHSA-N 0 3 237.303 0.528 20 0 BCADHN OC1CCCC(c2nc(-c3nc[nH]n3)no2)C1 ZINC000305755549 183236565 /nfs/dbraw/zinc/23/65/65/183236565.db2.gz ZDXIBHGXURAVCP-RQJHMYQMSA-N 0 3 235.247 0.873 20 0 BCADHN CCCN(CCCCO)[C@H]1CC(=O)N(C)C1=O ZINC000338326672 169154459 /nfs/dbraw/zinc/15/44/59/169154459.db2.gz LYAPUDDXYQVUIU-JTQLQIEISA-N 0 3 242.319 0.228 20 0 BCADHN CCCN(CCC[C@H](C)O)CC(=O)NC ZINC000354859336 169155123 /nfs/dbraw/zinc/15/51/23/169155123.db2.gz CVXCLFVQFPPGNC-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN CCCN(CCC[C@@H](C)O)CC(=O)NC ZINC000354859337 169155836 /nfs/dbraw/zinc/15/58/36/169155836.db2.gz CVXCLFVQFPPGNC-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN CCCN(CCN(C)C)C(=O)C(=O)NC1CC1 ZINC000359962015 169155988 /nfs/dbraw/zinc/15/59/88/169155988.db2.gz YWKUJZAPQKWYMN-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@@H]1CCC(=O)N1 ZINC000330585395 169158445 /nfs/dbraw/zinc/15/84/45/169158445.db2.gz UPEOVSOUDFKAKU-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CCCN(CCO)C(=O)/C=C/CN(C)C ZINC000271665980 169159290 /nfs/dbraw/zinc/15/92/90/169159290.db2.gz BPPFYOIIAMOETP-AATRIKPKSA-N 0 3 214.309 0.335 20 0 BCADHN CCCN(CCO)C(=O)N[C@H](C)CN(C)C ZINC000358531324 169161630 /nfs/dbraw/zinc/16/16/30/169161630.db2.gz SEOKCCPECKFPQJ-SNVBAGLBSA-N 0 3 231.340 0.350 20 0 BCADHN CCCN(CCO)C[C@@H]1COCCO1 ZINC000336672176 169165960 /nfs/dbraw/zinc/16/59/60/169165960.db2.gz LHHGCDCTQREVGL-SNVBAGLBSA-N 0 3 203.282 0.106 20 0 BCADHN CCCN(CCO)Cc1cccc(C(N)=O)c1 ZINC000047496525 169166443 /nfs/dbraw/zinc/16/64/43/169166443.db2.gz FJTGPTFCIXNHGP-UHFFFAOYSA-N 0 3 236.315 0.990 20 0 BCADHN CCCN(CCc1ccccn1)C(=O)CN ZINC000285998355 169170355 /nfs/dbraw/zinc/17/03/55/169170355.db2.gz IPGLWAUDYJNRJX-UHFFFAOYSA-N 0 3 221.304 0.821 20 0 BCADHN CCCN1CCC(N(C)S(C)(=O)=O)CC1 ZINC000059748100 169187469 /nfs/dbraw/zinc/18/74/69/169187469.db2.gz JDBRHQOMLQJIAX-UHFFFAOYSA-N 0 3 234.365 0.752 20 0 BCADHN c1c[nH]c(CN[C@H]2CCc3n[nH]cc3C2)n1 ZINC000124507603 183324503 /nfs/dbraw/zinc/32/45/03/183324503.db2.gz NCIVBNLNOANHOD-VIFPVBQESA-N 0 3 217.276 0.780 20 0 BCADHN CCCN1CCCN(C(=O)c2cn[nH]c2)CC1 ZINC000114352413 169192977 /nfs/dbraw/zinc/19/29/77/169192977.db2.gz GJMQIVYUVHKWJX-UHFFFAOYSA-N 0 3 236.319 0.968 20 0 BCADHN CCCN1CCCN([C@H]2CCNC2=O)CC1 ZINC000363488712 169193915 /nfs/dbraw/zinc/19/39/15/169193915.db2.gz LDEDLEMBQCYCOL-NSHDSACASA-N 0 3 225.336 0.293 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N(C)CCO ZINC000340037686 169195124 /nfs/dbraw/zinc/19/51/24/169195124.db2.gz FEXBKLLRJUASIF-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@H](C)[C@H](C)CO ZINC000330474704 169196237 /nfs/dbraw/zinc/19/62/37/169196237.db2.gz SCPJYEIFLOZVNN-IJLUTSLNSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CCC[C@@H]1CNS(=O)(=O)N(C)C ZINC000352500020 169197457 /nfs/dbraw/zinc/19/74/57/169197457.db2.gz NDPCFEHCFHXEEA-SNVBAGLBSA-N 0 3 249.380 0.257 20 0 BCADHN CCCN1CCC[C@@H]1CNS(=O)(=O)NCC ZINC000352501180 169197463 /nfs/dbraw/zinc/19/74/63/169197463.db2.gz SIQDNFBAYQSDFT-SNVBAGLBSA-N 0 3 249.380 0.305 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CC(OC)C1 ZINC000358118780 169197853 /nfs/dbraw/zinc/19/78/53/169197853.db2.gz HGVWWNKHMLOGMD-NSHDSACASA-N 0 3 226.320 0.718 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCC[C@H](C)O ZINC000330677003 169198390 /nfs/dbraw/zinc/19/83/90/169198390.db2.gz AVQLZBUNITZYTE-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N[C@H](C)CCO ZINC000330484452 169199602 /nfs/dbraw/zinc/19/96/02/169199602.db2.gz XTQGQXAYQMQJFC-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN CCCNC(=O)CN1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000331285383 169222981 /nfs/dbraw/zinc/22/29/81/169222981.db2.gz LPDNDMBSUBBAFE-TUAOUCFPSA-N 0 3 242.363 0.994 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCC[C@@H]1C(=O)NC ZINC000330593184 169227253 /nfs/dbraw/zinc/22/72/53/169227253.db2.gz YVJJCEWUFVXQRM-VHSXEESVSA-N 0 3 241.335 0.017 20 0 BCADHN CCCNC(=O)CN[C@@H](C)[C@@H](C)C(=O)OCC ZINC000338296338 169227474 /nfs/dbraw/zinc/22/74/74/169227474.db2.gz JRYNITKCXUJCDT-ZJUUUORDSA-N 0 3 244.335 0.690 20 0 BCADHN CCCNC(=O)CN[C@H]1CSC[C@@H]1C ZINC000308520370 169228680 /nfs/dbraw/zinc/22/86/80/169228680.db2.gz HIDVIKZJULXGSB-IUCAKERBSA-N 0 3 216.350 0.854 20 0 BCADHN CCCN1CCN(c2nccn2C)CC1 ZINC000266884111 169205893 /nfs/dbraw/zinc/20/58/93/169205893.db2.gz AYNPMDDVUDORHF-UHFFFAOYSA-N 0 3 208.309 0.952 20 0 BCADHN CCCN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116889760 169207017 /nfs/dbraw/zinc/20/70/17/169207017.db2.gz DCENGSAFXHFANJ-MRVPVSSYSA-N 0 3 206.311 0.020 20 0 BCADHN c1cc(CNC[C@H]2CNCCO2)cs1 ZINC000063147411 183351962 /nfs/dbraw/zinc/35/19/62/183351962.db2.gz JZDLALBHFMCXPJ-SNVBAGLBSA-N 0 3 212.318 0.826 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@H]1CCCN1C ZINC000330752183 169216712 /nfs/dbraw/zinc/21/67/12/169216712.db2.gz ZQFQORMDTISFCQ-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN CCCNC(=O)CN(CCC)CCCO ZINC000052247037 169218935 /nfs/dbraw/zinc/21/89/35/169218935.db2.gz CVIPMOHMXJQDHJ-UHFFFAOYSA-N 0 3 216.325 0.607 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CC[C@@](C)(C(N)=O)C1 ZINC000361562263 169240974 /nfs/dbraw/zinc/24/09/74/169240974.db2.gz BBDAMYUIWVRXAR-BXKDBHETSA-N 0 3 241.335 0.098 20 0 BCADHN CCCNC(=O)[C@H](C)N(C)[C@H]1CCC[C@@H]1O ZINC000352695611 169245101 /nfs/dbraw/zinc/24/51/01/169245101.db2.gz IGMCFCIYPSBNJP-DCAQKATOSA-N 0 3 228.336 0.746 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@H](O)[C@@H](CC)C1 ZINC000341021887 169245777 /nfs/dbraw/zinc/24/57/77/169245777.db2.gz WRJHDTDWTBFUOS-DCAQKATOSA-N 0 3 228.336 0.604 20 0 BCADHN CCCNC(=O)C(C)S(=O)(=O)CC ZINC000308386884 169247600 /nfs/dbraw/zinc/24/76/00/169247600.db2.gz XKUJCEPRGYFYLA-ZETCQYMHSA-N 0 3 207.295 0.336 20 0 BCADHN CCCOCC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000361908114 169304424 /nfs/dbraw/zinc/30/44/24/169304424.db2.gz NBFVPMGWRZEQMD-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CCCS(=O)(=O)CCN1CCC[C@@H]1CN ZINC000227080747 169329538 /nfs/dbraw/zinc/32/95/38/169329538.db2.gz ZVGVFLGBQYRUNO-SNVBAGLBSA-N 0 3 234.365 0.234 20 0 BCADHN CCCS(=O)(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000371506235 169330949 /nfs/dbraw/zinc/33/09/49/169330949.db2.gz PRIBISDJPBYMSQ-GHMZBOCLSA-N 0 3 246.376 0.752 20 0 BCADHN CCCS(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000367832200 169332861 /nfs/dbraw/zinc/33/28/61/169332861.db2.gz MCLNJJCIPBXMSH-YUMQZZPRSA-N 0 3 224.301 0.016 20 0 BCADHN CCCSCC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358063928 169337203 /nfs/dbraw/zinc/33/72/03/169337203.db2.gz JMLLLEIIRQZIGD-LLVKDONJSA-N 0 3 246.376 0.312 20 0 BCADHN CCCSCC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358063929 169337672 /nfs/dbraw/zinc/33/76/72/169337672.db2.gz JMLLLEIIRQZIGD-NSHDSACASA-N 0 3 246.376 0.312 20 0 BCADHN CCC[C@@H](C(=O)N[C@H](C)CO)N(C)C ZINC000305498880 169345094 /nfs/dbraw/zinc/34/50/94/169345094.db2.gz KDRUCWYUNAYTQB-BDAKNGLRSA-N 0 3 202.298 0.214 20 0 BCADHN CCC[C@@H](C(=O)NC[C@@H](CO)C1CC1)N(C)C ZINC000358358498 169345242 /nfs/dbraw/zinc/34/52/42/169345242.db2.gz TZOYFFAQWUARBA-RYUDHWBXSA-N 0 3 242.363 0.851 20 0 BCADHN CCC[C@@H](C(=O)N[C@H](C)c1nnc[n-]1)[NH+](C)C ZINC000179487476 169345479 /nfs/dbraw/zinc/34/54/79/169345479.db2.gz XQCUZHUEAXSBCW-BDAKNGLRSA-N 0 3 239.323 0.712 20 0 BCADHN CCC[C@@H](C(=O)NC[C@H](C)CO)N(C)C ZINC000305737701 169345500 /nfs/dbraw/zinc/34/55/00/169345500.db2.gz MMEJDKOQRWTBLT-UWVGGRQHSA-N 0 3 216.325 0.461 20 0 BCADHN CCC[C@@H](C)NS(=O)(=O)[C@H]1CCCNC1 ZINC000019515311 169370274 /nfs/dbraw/zinc/37/02/74/169370274.db2.gz XMWKQVWDQCJGGZ-ZJUUUORDSA-N 0 3 234.365 0.846 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCNC[C@@H]1C(F)F ZINC000368561460 169387761 /nfs/dbraw/zinc/38/77/61/169387761.db2.gz LKFSDLZUMGACKX-HTQZYQBOSA-N 0 3 235.278 0.179 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCNC[C@H]1C(F)F ZINC000368561462 169388078 /nfs/dbraw/zinc/38/80/78/169388078.db2.gz LKFSDLZUMGACKX-SFYZADRCSA-N 0 3 235.278 0.179 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H](C)Cn1ccnc1 ZINC000036999446 169390341 /nfs/dbraw/zinc/39/03/41/169390341.db2.gz DXILIYGNMSSOHU-NXEZZACHSA-N 0 3 224.308 0.515 20 0 BCADHN CCC[C@@H](N)C(=O)NCc1nncn1C1CC1 ZINC000353600316 169391111 /nfs/dbraw/zinc/39/11/11/169391111.db2.gz WGLARWUMJVONDY-SECBINFHSA-N 0 3 237.307 0.357 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000353737223 169391730 /nfs/dbraw/zinc/39/17/30/169391730.db2.gz IEPKAIIZZXJAMY-SNVBAGLBSA-N 0 3 237.303 0.760 20 0 BCADHN COC1CC(N[C@H](C)C(=O)N(C)C)C1 ZINC000221254475 134322565 /nfs/dbraw/zinc/32/25/65/134322565.db2.gz FOFBSDUVSZEJMI-AFPNSQJFSA-N 0 3 200.282 0.230 20 0 BCADHN CCC[C@@H](NC(C)C)C(=O)N[C@@H](C)C(=O)NC ZINC000355950957 169398428 /nfs/dbraw/zinc/39/84/28/169398428.db2.gz XTXWMIXYRHAHJR-VHSXEESVSA-N 0 3 243.351 0.404 20 0 BCADHN Cc1cc[nH]c(=O)c1C(=O)N(C)CCN(C)C ZINC000181151530 134336861 /nfs/dbraw/zinc/33/68/61/134336861.db2.gz RKFGQZYVUCSTOO-UHFFFAOYSA-N 0 3 237.303 0.729 20 0 BCADHN c1n[nH]cc1CCN1CCC2(CC1)OCCO2 ZINC000290054220 183524170 /nfs/dbraw/zinc/52/41/70/183524170.db2.gz OXNVZUPXMIUOIZ-UHFFFAOYSA-N 0 3 237.303 0.791 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCOCC ZINC000037481528 169450708 /nfs/dbraw/zinc/45/07/08/169450708.db2.gz KDJXANALRJHKJY-SNVBAGLBSA-N 0 3 202.298 0.657 20 0 BCADHN CCC[C@@H]1C[C@@H]1NC(=O)CCOC1CNC1 ZINC000349002984 535456610 /nfs/dbraw/zinc/45/66/10/535456610.db2.gz PZYDGPWAVLAHHO-KOLCDFICSA-N 0 3 226.320 0.670 20 0 BCADHN CCC[C@H](N)C(=O)N(C)Cc1nccn1C ZINC000037823015 169500516 /nfs/dbraw/zinc/50/05/16/169500516.db2.gz NULNQDVBRDLWOD-VIFPVBQESA-N 0 3 224.308 0.506 20 0 BCADHN CCC[C@H](N)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000262089162 169501774 /nfs/dbraw/zinc/50/17/74/169501774.db2.gz AOCSQCBRYVQWDP-NSHDSACASA-N 0 3 249.314 0.529 20 0 BCADHN C[C@@H]1CCCC[C@H]1CN1CCO[C@H](C(N)=O)C1 ZINC000183029498 134350825 /nfs/dbraw/zinc/35/08/25/134350825.db2.gz CTMWJIHUISQBMK-WOPDTQHZSA-N 0 3 240.347 0.999 20 0 BCADHN CCCC[C@H](N)C(=O)Nc1nncs1 ZINC000224943708 134352533 /nfs/dbraw/zinc/35/25/33/134352533.db2.gz RYMLITSMICIYHR-LURJTMIESA-N 0 3 214.294 0.994 20 0 BCADHN CCC(CC)[C@H](O)CNC(=O)[C@@H](N)CC ZINC000225460368 134353671 /nfs/dbraw/zinc/35/36/71/134353671.db2.gz JMLPWRXLIORQBC-VHSXEESVSA-N 0 3 216.325 0.637 20 0 BCADHN CCN(C)CCNC(=O)CC[C@H](C)OC ZINC000183596540 134354349 /nfs/dbraw/zinc/35/43/49/134354349.db2.gz AHSYTFOYLBGLRB-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN CC[C@H](C(=O)N1CCC(C)(CO)CC1)N(C)C ZINC000183629393 134355479 /nfs/dbraw/zinc/35/54/79/134355479.db2.gz OUFSRSOUXIHVCZ-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H](C(=O)N1CCC(C)(CO)CC1)N(C)C ZINC000183629379 134355522 /nfs/dbraw/zinc/35/55/22/134355522.db2.gz OUFSRSOUXIHVCZ-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H]1CN(C[C@@H](O)C(F)(F)F)C[C@H]1O ZINC000359605309 171084916 /nfs/dbraw/zinc/08/49/16/171084916.db2.gz UWFKEZPIBFLLPK-BWZBUEFSSA-N 0 3 227.226 0.612 20 0 BCADHN CC[C@@H]1CO[C@@H](C)CN1C(=O)CNC1CC1 ZINC000037395055 171108517 /nfs/dbraw/zinc/10/85/17/171108517.db2.gz LXGMQOITFPLXND-GXSJLCMTSA-N 0 3 226.320 0.764 20 0 BCADHN COCCN1CCN(C)[C@@H](C(C)C)C1 ZINC000487982364 532962253 /nfs/dbraw/zinc/96/22/53/532962253.db2.gz QTNKNLFWJHBJLN-LLVKDONJSA-N 0 3 200.326 0.905 20 0 BCADHN COCC[C@@](C)(O)CNCc1c(C)n[nH]c1C ZINC000227215822 134376468 /nfs/dbraw/zinc/37/64/68/134376468.db2.gz RXEIFTFDCMUJRB-GFCCVEGCSA-N 0 3 241.335 0.904 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@H](C)C(C)C ZINC000227386442 134379339 /nfs/dbraw/zinc/37/93/39/134379339.db2.gz PMTRXVCHPVETMU-IUCAKERBSA-N 0 3 202.298 0.368 20 0 BCADHN OC[C@@H]1CCN(C[C@@H]2CCCCO2)C[C@H]1O ZINC000558165751 383822872 /nfs/dbraw/zinc/82/28/72/383822872.db2.gz ORDJWVPXZYIXTM-SDDRHHMPSA-N 0 3 229.320 0.231 20 0 BCADHN CC[C@H](O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000301016285 383823718 /nfs/dbraw/zinc/82/37/18/383823718.db2.gz ZQWRAEDYVUQFLC-WPRPVWTQSA-N 0 3 212.297 0.705 20 0 BCADHN CC[C@H](O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000301016283 383825075 /nfs/dbraw/zinc/82/50/75/383825075.db2.gz ZQWRAEDYVUQFLC-WCBMZHEXSA-N 0 3 212.297 0.705 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@@](C)(O)C1CC1 ZINC000358521426 383841530 /nfs/dbraw/zinc/84/15/30/383841530.db2.gz JAAFDJKUMWJYPG-BXKDBHETSA-N 0 3 243.351 0.397 20 0 BCADHN OC[C@]1(O)CCCN(CC2=CCCC2)C1 ZINC000401055535 383846143 /nfs/dbraw/zinc/84/61/43/383846143.db2.gz CLMQUIKVOFCSFY-LBPRGKRZSA-N 0 3 211.305 0.916 20 0 BCADHN CN(CC(=O)N1CCOCC1)CC1CCC1 ZINC000111299098 383851271 /nfs/dbraw/zinc/85/12/71/383851271.db2.gz JCCCCUUFDPSTIA-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN CN(CCn1cccn1)CCN1CCOCC1 ZINC000111280253 383852182 /nfs/dbraw/zinc/85/21/82/383852182.db2.gz IPYYKFLNUUXIMM-UHFFFAOYSA-N 0 3 238.335 0.147 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@H](N)Cc1ccccc1 ZINC000223737564 383852246 /nfs/dbraw/zinc/85/22/46/383852246.db2.gz AZSCCEOJOICSHQ-CMPLNLGQSA-N 0 3 236.315 0.708 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)C[C@@H]1CCOC1 ZINC000358526137 383852311 /nfs/dbraw/zinc/85/23/11/383852311.db2.gz OHKZQCKDNNWEIJ-QWRGUYRKSA-N 0 3 243.351 0.614 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCc1cnn(C)c1 ZINC000087765718 383862396 /nfs/dbraw/zinc/86/23/96/383862396.db2.gz UNUGFMIYSBRNRF-SNVBAGLBSA-N 0 3 224.308 0.062 20 0 BCADHN C[C@@H](NCCN1CCNC1=O)c1cccnc1 ZINC000035692103 383869080 /nfs/dbraw/zinc/86/90/80/383869080.db2.gz UUWUVWHISZSCRL-SNVBAGLBSA-N 0 3 234.303 0.757 20 0 BCADHN Cn1nccc1CNC1CCC(O)CC1 ZINC000036901115 383916689 /nfs/dbraw/zinc/91/66/89/383916689.db2.gz XJQDPISOJJOEOH-UHFFFAOYSA-N 0 3 209.293 0.813 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H](O)c1ccccc1 ZINC000036871673 383917886 /nfs/dbraw/zinc/91/78/86/383917886.db2.gz MKMJJYKFVAABJS-QWRGUYRKSA-N 0 3 222.288 0.574 20 0 BCADHN CC(C)CO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000643736811 383924178 /nfs/dbraw/zinc/92/41/78/383924178.db2.gz OFJMEIQTGXEAAT-MXWKQRLJSA-N 0 3 226.320 0.607 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000037002749 383926412 /nfs/dbraw/zinc/92/64/12/383926412.db2.gz MCNBRPJUKOARMT-SSDOTTSWSA-N 0 3 233.271 0.857 20 0 BCADHN C[C@H]1C[C@@H](NCc2ccc(CC(N)=O)cc2)CO1 ZINC000647211754 383926725 /nfs/dbraw/zinc/92/67/25/383926725.db2.gz WCUPCVAHEFXYGR-GXFFZTMASA-N 0 3 248.326 0.981 20 0 BCADHN COCCn1cc(NC(=O)[C@@H](N)C(C)C)cn1 ZINC000037043695 383931050 /nfs/dbraw/zinc/93/10/50/383931050.db2.gz DXVBJNHQIKPJCB-JTQLQIEISA-N 0 3 240.307 0.451 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)c1nnc2ccccn21 ZINC000037018252 383931500 /nfs/dbraw/zinc/93/15/00/383931500.db2.gz SVWDEWKXRSVUHO-BDAKNGLRSA-N 0 3 247.302 0.644 20 0 BCADHN CC[C@H](N)C(=O)Nc1cccnc1-n1cccn1 ZINC000037047117 383931619 /nfs/dbraw/zinc/93/16/19/383931619.db2.gz DBUPODREJGMFOJ-VIFPVBQESA-N 0 3 245.286 0.943 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000037025590 383932509 /nfs/dbraw/zinc/93/25/09/383932509.db2.gz YBGRILOXKVMDFF-QMMMGPOBSA-N 0 3 239.250 0.600 20 0 BCADHN C[C@H](CNC(=O)C1CC(C)(O)C1)N1CCCC1 ZINC000560080113 383884535 /nfs/dbraw/zinc/88/45/35/383884535.db2.gz MKRBTVJFFFGXFQ-XSRFYTQQSA-N 0 3 240.347 0.748 20 0 BCADHN NC(=O)[C@@H]1CCCN1CC[C@@H]1CCCCO1 ZINC000408195675 383890521 /nfs/dbraw/zinc/89/05/21/383890521.db2.gz SLUWUGLHGRLVQY-QWRGUYRKSA-N 0 3 226.320 0.895 20 0 BCADHN CCCN(CCN(C)C)C(=O)COCC ZINC000070266135 383901820 /nfs/dbraw/zinc/90/18/20/383901820.db2.gz KBKZMLXNKZXIGX-UHFFFAOYSA-N 0 3 216.325 0.823 20 0 BCADHN OC[C@@H]1CCCN1C[C@H](O)CC1(O)CCC1 ZINC000528374125 383903513 /nfs/dbraw/zinc/90/35/13/383903513.db2.gz SZPTXINCAXJXDI-WDEREUQCSA-N 0 3 229.320 0.109 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2ccon2)C1 ZINC000068340662 383984790 /nfs/dbraw/zinc/98/47/90/383984790.db2.gz DSDDBLIWAOZWCK-SECBINFHSA-N 0 3 223.276 0.841 20 0 BCADHN CC[C@H](C)NC(=O)CN1CCCC[C@H](N)C1=O ZINC000643614439 383997570 /nfs/dbraw/zinc/99/75/70/383997570.db2.gz XISANGFYVCDFKS-UWVGGRQHSA-N 0 3 241.335 0.241 20 0 BCADHN COC[C@@H](O)CNCc1cccc(O)c1 ZINC000070589209 383938822 /nfs/dbraw/zinc/93/88/22/383938822.db2.gz YWQVZGZIYRAMMD-NSHDSACASA-N 0 3 211.261 0.489 20 0 BCADHN COC[C@@H](O)CNCc1c(C)noc1C ZINC000070589104 383939170 /nfs/dbraw/zinc/93/91/70/383939170.db2.gz XICQWAWMJDJXCU-VIFPVBQESA-N 0 3 214.265 0.388 20 0 BCADHN CCc1ccc(CNC[C@H](O)COC)o1 ZINC000070589658 383939253 /nfs/dbraw/zinc/93/92/53/383939253.db2.gz OIZCSQXIVWYLOE-VIFPVBQESA-N 0 3 213.277 0.939 20 0 BCADHN Nc1ccoc1C(=O)NCCN1CCCC1 ZINC000313146502 383939529 /nfs/dbraw/zinc/93/95/29/383939529.db2.gz UEVWJWOEEUCVJM-UHFFFAOYSA-N 0 3 223.276 0.687 20 0 BCADHN COC[C@H](O)CNCc1cccc(F)c1 ZINC000070558670 383942798 /nfs/dbraw/zinc/94/27/98/383942798.db2.gz IPLGRCFDUGMUGC-LLVKDONJSA-N 0 3 213.252 0.923 20 0 BCADHN CO[C@@]1(C)C[C@@H](N(C)C(=O)[C@@H](C)N)C1(C)C ZINC000237153730 383951940 /nfs/dbraw/zinc/95/19/40/383951940.db2.gz MAYXENGUVCNEBM-LNLATYFQSA-N 0 3 228.336 0.996 20 0 BCADHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1ccc(=O)[nH]n1 ZINC000332431608 383955806 /nfs/dbraw/zinc/95/58/06/383955806.db2.gz HLPQICLOGDMIMP-SFGNSQDASA-N 0 3 237.303 0.992 20 0 BCADHN COCc1cc(CNC(=O)CN)ccc1F ZINC000237165622 383957325 /nfs/dbraw/zinc/95/73/25/383957325.db2.gz YOKRVVWKZWKUHB-UHFFFAOYSA-N 0 3 226.251 0.547 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1nccn1C ZINC000070854853 383957734 /nfs/dbraw/zinc/95/77/34/383957734.db2.gz PZIWGNHTTAMVRB-SECBINFHSA-N 0 3 210.281 0.020 20 0 BCADHN C[C@H](CN1CCOCC1)NCc1cncnc1 ZINC000054767327 383958635 /nfs/dbraw/zinc/95/86/35/383958635.db2.gz WEXPYLSYTCPIPH-LLVKDONJSA-N 0 3 236.319 0.287 20 0 BCADHN CC[C@H](O)CN1CCC[C@H](N2CCNC2=O)C1 ZINC000363409765 383962779 /nfs/dbraw/zinc/96/27/79/383962779.db2.gz YYSZNNFLUKYLAO-QWRGUYRKSA-N 0 3 241.335 0.247 20 0 BCADHN Cc1cnc(CCN2C[C@@H](O)[C@@H](O)C2)c(C)c1 ZINC000401126257 383963487 /nfs/dbraw/zinc/96/34/87/383963487.db2.gz NSHNXVVSPGZTOI-BETUJISGSA-N 0 3 236.315 0.278 20 0 BCADHN CC[C@H](O)CN1CCC[C@@H](N2CCNC2=O)C1 ZINC000363409764 383963905 /nfs/dbraw/zinc/96/39/05/383963905.db2.gz YYSZNNFLUKYLAO-MNOVXSKESA-N 0 3 241.335 0.247 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1n[nH]c2ccccc12 ZINC000642854603 383966143 /nfs/dbraw/zinc/96/61/43/383966143.db2.gz BBYKUTOBTGDYQP-PRHODGIISA-N 0 3 235.287 0.394 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1[nH]nc2ccccc21 ZINC000642854603 383966149 /nfs/dbraw/zinc/96/61/49/383966149.db2.gz BBYKUTOBTGDYQP-PRHODGIISA-N 0 3 235.287 0.394 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@H]1CO[C@H](C)C1 ZINC000401777829 383977512 /nfs/dbraw/zinc/97/75/12/383977512.db2.gz FOSKERWALZDCMX-KXUCPTDWSA-N 0 3 214.309 0.667 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C(=O)CC1CCN(C)CC1 ZINC000336503520 384020757 /nfs/dbraw/zinc/02/07/57/384020757.db2.gz JARYMGVNAMKJAR-PWSUYJOCSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)=CCN1CCN2CCOC[C@H]2C1 ZINC000336502910 384021130 /nfs/dbraw/zinc/02/11/30/384021130.db2.gz VYAFARXOEZBQPS-GFCCVEGCSA-N 0 3 210.321 0.969 20 0 BCADHN COC[C@H](O)CN[C@@H](CO)c1ccccc1 ZINC000068892059 384022170 /nfs/dbraw/zinc/02/21/70/384022170.db2.gz WUDNYYQSQXTIKW-NEPJUHHUSA-N 0 3 225.288 0.317 20 0 BCADHN CCC(=O)N[C@H](C)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000648127436 384024844 /nfs/dbraw/zinc/02/48/44/384024844.db2.gz UCHHBXRUKFWCQM-IVZWLZJFSA-N 0 3 241.335 0.110 20 0 BCADHN Cn1cccc1CN[C@]1(CCO)CCOC1 ZINC000278486034 384003632 /nfs/dbraw/zinc/00/36/32/384003632.db2.gz KLMLIYHQEYPIRB-GFCCVEGCSA-N 0 3 224.304 0.656 20 0 BCADHN CS(=O)(=O)c1cccc(NC(=O)CCN)c1 ZINC000037764071 384010625 /nfs/dbraw/zinc/01/06/25/384010625.db2.gz ZQXUJUNBNBGFPU-UHFFFAOYSA-N 0 3 242.300 0.377 20 0 BCADHN CN(CCNC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC000234281222 384045075 /nfs/dbraw/zinc/04/50/75/384045075.db2.gz NKOOGUOOKAAKBI-UHFFFAOYSA-N 0 3 235.287 0.199 20 0 BCADHN CCN(C)CCNC(=O)CN1CCC(C)(C)C1 ZINC000565959174 384032214 /nfs/dbraw/zinc/03/22/14/384032214.db2.gz KOQZTHDATOYURB-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN CCOC[C@@H](O)CN[C@@H](CO)c1ccccc1 ZINC000069278713 384038391 /nfs/dbraw/zinc/03/83/91/384038391.db2.gz HSWUSCZSHZLDSH-STQMWFEESA-N 0 3 239.315 0.707 20 0 BCADHN COCCNC(=O)C1(N[C@H]2CO[C@H](C)C2)CC1 ZINC000647217314 384039704 /nfs/dbraw/zinc/03/97/04/384039704.db2.gz LDGQOIPXMUSZLZ-NXEZZACHSA-N 0 3 242.319 0.049 20 0 BCADHN CO[C@@H](CNC[C@H]1CCCS1(=O)=O)C1CC1 ZINC000400263705 384039871 /nfs/dbraw/zinc/03/98/71/384039871.db2.gz JGHPJWBLDAWGMD-MNOVXSKESA-N 0 3 247.360 0.578 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CCn2cnnc2C1 ZINC000081134576 384056449 /nfs/dbraw/zinc/05/64/49/384056449.db2.gz BHJSBNKMXCBFGT-SECBINFHSA-N 0 3 237.307 0.138 20 0 BCADHN O=C1[N-]C(=O)[C@@]2(CC[N@@H+](C3CCCC3)C2)N1 ZINC000363460581 384060157 /nfs/dbraw/zinc/06/01/57/384060157.db2.gz GXBNAJDBMOOPLI-NSHDSACASA-N 0 3 223.276 0.213 20 0 BCADHN O=C1[N-]C(=O)[C@@]2(CC[N@H+](C3CCCC3)C2)N1 ZINC000363460581 384060162 /nfs/dbraw/zinc/06/01/62/384060162.db2.gz GXBNAJDBMOOPLI-NSHDSACASA-N 0 3 223.276 0.213 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCc2n[nH]cc2C1 ZINC000648150206 384076087 /nfs/dbraw/zinc/07/60/87/384076087.db2.gz WAXOTFDWMBIDFZ-JTQLQIEISA-N 0 3 234.303 0.292 20 0 BCADHN CC[C@H](O)CNC(=O)[C@H](CC)N(C)C ZINC000332514039 384076082 /nfs/dbraw/zinc/07/60/82/384076082.db2.gz YWPSSGHQWJEFGI-IUCAKERBSA-N 0 3 202.298 0.214 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000309450281 384078074 /nfs/dbraw/zinc/07/80/74/384078074.db2.gz KYBYSMLGARVUFK-CIUDSAMLSA-N 0 3 225.292 0.844 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN(C)C[C@@H](C)OC ZINC000310212993 384081707 /nfs/dbraw/zinc/08/17/07/384081707.db2.gz KVNXHDSYMPCTFY-GRYCIOLGSA-N 0 3 249.351 0.366 20 0 BCADHN CC(=O)NCCN(C)CC[C@H]1CCCO1 ZINC000560378085 384101601 /nfs/dbraw/zinc/10/16/01/384101601.db2.gz GGTFQEFAXWRVDA-LLVKDONJSA-N 0 3 214.309 0.623 20 0 BCADHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cnccn2)C1 ZINC000247466524 384102721 /nfs/dbraw/zinc/10/27/21/384102721.db2.gz UVJOBPWJLXXYNU-ZYHUDNBSSA-N 0 3 248.330 0.935 20 0 BCADHN COCCn1cc(CN2CC[C@@H](CO)C2)cn1 ZINC000332660595 384102842 /nfs/dbraw/zinc/10/28/42/384102842.db2.gz OMOGITLJERBGLN-LLVKDONJSA-N 0 3 239.319 0.344 20 0 BCADHN C[C@H](N)C(=O)Nc1cc(-c2ccncc2)nn1C ZINC000569482893 384106478 /nfs/dbraw/zinc/10/64/78/384106478.db2.gz XVIQMPMHTUZBAQ-QMMMGPOBSA-N 0 3 245.286 0.768 20 0 BCADHN COCCN(C)CCN[C@@H](C)c1nccn1C ZINC000070445470 384109254 /nfs/dbraw/zinc/10/92/54/384109254.db2.gz DYYUTQVSLUSIMI-NSHDSACASA-N 0 3 240.351 0.649 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@H](N2CCCCC2)C1 ZINC000336553496 384113558 /nfs/dbraw/zinc/11/35/58/384113558.db2.gz PKLPLNKXPITANM-RYUDHWBXSA-N 0 3 237.347 0.435 20 0 BCADHN Cc1ccc(CNC(=O)C[C@@H]2CNCCO2)cc1 ZINC000091299147 384115546 /nfs/dbraw/zinc/11/55/46/384115546.db2.gz KSIPBBUPDIGRHA-CYBMUJFWSA-N 0 3 248.326 0.990 20 0 BCADHN CC(C)[C@@H](N)c1cn(CCn2ccnc2)nn1 ZINC000302253181 384118810 /nfs/dbraw/zinc/11/88/10/384118810.db2.gz AMRFTBZLLHSWAK-LLVKDONJSA-N 0 3 234.307 0.831 20 0 BCADHN C[C@@H]1C[C@@H](NC[C@@H]2CCCS2(=O)=O)CO1 ZINC000401832459 384094744 /nfs/dbraw/zinc/09/47/44/384094744.db2.gz NVGNWTUDKYBQPA-BBBLOLIVSA-N 0 3 233.333 0.331 20 0 BCADHN C[C@H](O)CCNC(=O)NC1CCN(C)CC1 ZINC000408172177 384133973 /nfs/dbraw/zinc/13/39/73/384133973.db2.gz SVTUFFJZQILIGF-VIFPVBQESA-N 0 3 229.324 0.151 20 0 BCADHN COC[C@H](O)CNCc1ccccc1OC ZINC000070558610 384120060 /nfs/dbraw/zinc/12/00/60/384120060.db2.gz QFYUHXXGKCEEOA-LLVKDONJSA-N 0 3 225.288 0.792 20 0 BCADHN CO[C@@]1(CNC(=O)/C=C\CN(C)C)CCOC1 ZINC000492636639 533033010 /nfs/dbraw/zinc/03/30/10/533033010.db2.gz WWPPHAJKUXONDW-QMAVJUDZSA-N 0 3 242.319 0.026 20 0 BCADHN Cc1cnn(CCN[C@H]2CCN(C)C2=O)c1 ZINC000116278456 384123817 /nfs/dbraw/zinc/12/38/17/384123817.db2.gz PPYOACXSISWGOO-JTQLQIEISA-N 0 3 222.292 0.012 20 0 BCADHN O=C1NCC[C@@H]1N1CCC[C@]2(CCCOC2)C1 ZINC000336553813 384123886 /nfs/dbraw/zinc/12/38/86/384123886.db2.gz DZIPBDGZTRWJPM-AAEUAGOBSA-N 0 3 238.331 0.768 20 0 BCADHN [NH3+]C1(C(=O)NCc2ncccc2[O-])CCCC1 ZINC000648153629 384124417 /nfs/dbraw/zinc/12/44/17/384124417.db2.gz PDUUVSZOHUAAGP-UHFFFAOYSA-N 0 3 235.287 0.675 20 0 BCADHN Cc1cnn(CCN[C@@H]2CCN(C)C2=O)c1 ZINC000116278453 384125414 /nfs/dbraw/zinc/12/54/14/384125414.db2.gz PPYOACXSISWGOO-SNVBAGLBSA-N 0 3 222.292 0.012 20 0 BCADHN Cc1n[nH]cc1C(=O)NC[C@H]1CCN(C)C1 ZINC000070650801 384130542 /nfs/dbraw/zinc/13/05/42/384130542.db2.gz PLXHFSGCJPKVJE-SECBINFHSA-N 0 3 222.292 0.400 20 0 BCADHN CC(C)[C@H](N)c1cn([C@@H](C)C(=O)N(C)C)nn1 ZINC000302344135 384147459 /nfs/dbraw/zinc/14/74/59/384147459.db2.gz MHUWACPNCFLJFP-WPRPVWTQSA-N 0 3 239.323 0.583 20 0 BCADHN CC(C)[C@H](N)c1cn(CC(=O)NC2CC2)nn1 ZINC000302399886 384156151 /nfs/dbraw/zinc/15/61/51/384156151.db2.gz ROBCPRNLZFJCIY-NSHDSACASA-N 0 3 237.307 0.213 20 0 BCADHN COC(=O)[C@H](C)CN(C)Cc1cn(C)nc1C ZINC000091985115 384156258 /nfs/dbraw/zinc/15/62/58/384156258.db2.gz NHUPHLBUKJOOMI-SECBINFHSA-N 0 3 239.319 0.969 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCc1nccn1C ZINC000070854725 384138434 /nfs/dbraw/zinc/13/84/34/384138434.db2.gz DFYWFJYOXYRGPS-VIFPVBQESA-N 0 3 224.308 0.410 20 0 BCADHN CO[C@H](CC(C)C)CN1C[C@H](O)C[C@H](O)C1 ZINC000642692218 384140822 /nfs/dbraw/zinc/14/08/22/384140822.db2.gz NBYCFVLLFFVRDM-GRYCIOLGSA-N 0 3 231.336 0.475 20 0 BCADHN C[C@H](C(=O)N1CCCCC1)N1CC[C@@](C)(O)C1 ZINC000227771383 134393723 /nfs/dbraw/zinc/39/37/23/134393723.db2.gz QFGZRNGYDMTDIC-DGCLKSJQSA-N 0 3 240.347 0.844 20 0 BCADHN O=C1NCCCC[C@@H]1NCc1cc[nH]c1 ZINC000080773496 384175996 /nfs/dbraw/zinc/17/59/96/384175996.db2.gz JJWBDONEFHISKV-JTQLQIEISA-N 0 3 207.277 0.773 20 0 BCADHN COC(=O)c1ccc(CNC[C@H](O)C2CC2)o1 ZINC000071302418 384161419 /nfs/dbraw/zinc/16/14/19/384161419.db2.gz HWRHIEGYDXPLNM-JTQLQIEISA-N 0 3 239.271 0.927 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccc(NC(C)=O)cc1 ZINC000040834301 384165962 /nfs/dbraw/zinc/16/59/62/384165962.db2.gz RVCYPQBAEZPOGT-LBPRGKRZSA-N 0 3 249.314 0.999 20 0 BCADHN CC[C@H](N)C(=O)Nc1cccc(C(N)=O)c1 ZINC000040854382 384166405 /nfs/dbraw/zinc/16/64/05/384166405.db2.gz YDEQVJGDIYYONY-VIFPVBQESA-N 0 3 221.260 0.461 20 0 BCADHN Cc1ccc(CNC[C@H](O)CO)s1 ZINC000050225535 384166729 /nfs/dbraw/zinc/16/67/29/384166729.db2.gz BYTRVYHMIZIAOD-QMMMGPOBSA-N 0 3 201.291 0.499 20 0 BCADHN CC[C@H](C)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000560505603 384176452 /nfs/dbraw/zinc/17/64/52/384176452.db2.gz PPKFOEWQVFXGOF-GXFFZTMASA-N 0 3 240.347 0.605 20 0 BCADHN Cn1ncc2c1CCC[C@H]2NC(=O)C(C)(C)N ZINC000040922379 384169439 /nfs/dbraw/zinc/16/94/39/384169439.db2.gz DTNDGCJTUYFCKR-SECBINFHSA-N 0 3 236.319 0.651 20 0 BCADHN CCOCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000067865107 384178079 /nfs/dbraw/zinc/17/80/79/384178079.db2.gz OAKZZIWCRNKCDG-SECBINFHSA-N 0 3 212.293 0.376 20 0 BCADHN COC[C@H]1CCN(C(=O)C(C)(C)N)C1 ZINC000081062446 384180783 /nfs/dbraw/zinc/18/07/83/384180783.db2.gz JGKZTMSXLDQZIN-QMMMGPOBSA-N 0 3 200.282 0.219 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@H](COC)C1 ZINC000081061379 384180891 /nfs/dbraw/zinc/18/08/91/384180891.db2.gz RMAJAORUYUFVAK-BDAKNGLRSA-N 0 3 200.282 0.219 20 0 BCADHN C[C@H]1CC(O)C[C@H](C)N1CCn1cncn1 ZINC000408122796 134397892 /nfs/dbraw/zinc/39/78/92/134397892.db2.gz ATEDJFVADSABIW-UWVGGRQHSA-N 0 3 224.308 0.512 20 0 BCADHN COCCN1CCCC[C@]1(C)C(N)=O ZINC000185919840 134396953 /nfs/dbraw/zinc/39/69/53/134396953.db2.gz XGAMADIRONZBAC-SNVBAGLBSA-N 0 3 200.282 0.363 20 0 BCADHN C[C@@H](NCC(=O)N1CCNC1=O)c1ccccc1 ZINC000007783307 384186180 /nfs/dbraw/zinc/18/61/80/384186180.db2.gz HSFLJENQRCARKQ-SNVBAGLBSA-N 0 3 247.298 0.889 20 0 BCADHN CO[C@H](C(=O)NCCN(C)C1CC1)C1CC1 ZINC000471886653 533045855 /nfs/dbraw/zinc/04/58/55/533045855.db2.gz OADMYYJLLSNTFX-NSHDSACASA-N 0 3 226.320 0.622 20 0 BCADHN CCc1nc(CN[C@H]2CO[C@H](C)C2)n[nH]1 ZINC000401878562 384191734 /nfs/dbraw/zinc/19/17/34/384191734.db2.gz GREZTSWBDGTGGX-HTQZYQBOSA-N 0 3 210.281 0.634 20 0 BCADHN CCc1nc(CN[C@H]2CO[C@@H](C)C2)n[nH]1 ZINC000401878563 384192156 /nfs/dbraw/zinc/19/21/56/384192156.db2.gz GREZTSWBDGTGGX-JGVFFNPUSA-N 0 3 210.281 0.634 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](CO)C2)n1 ZINC000092763410 384194632 /nfs/dbraw/zinc/19/46/32/384194632.db2.gz NPAUBGCYENCPHT-SNVBAGLBSA-N 0 3 222.288 0.910 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](CO)C2)n1 ZINC000092763410 384194634 /nfs/dbraw/zinc/19/46/34/384194634.db2.gz NPAUBGCYENCPHT-SNVBAGLBSA-N 0 3 222.288 0.910 20 0 BCADHN CC[C@@H](CN1CCNC(=O)C[C@H]1C)OC ZINC000642699139 384195897 /nfs/dbraw/zinc/19/58/97/384195897.db2.gz WIGARLNBCLHKCP-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN COCC[C@@H](C)NCC(=O)NC(C)(C)C ZINC000081712553 384198265 /nfs/dbraw/zinc/19/82/65/384198265.db2.gz JDPFFBXKKHUQLC-SECBINFHSA-N 0 3 216.325 0.916 20 0 BCADHN C[C@H](C(=O)NC1CC1)N(C)CC(C)(C)O ZINC000081747491 384198694 /nfs/dbraw/zinc/19/86/94/384198694.db2.gz PRQHKHFAWOZYRH-MRVPVSSYSA-N 0 3 214.309 0.356 20 0 BCADHN COCC[C@@H](C)NC(=O)[C@H](N)C(C)C ZINC000081710477 384198706 /nfs/dbraw/zinc/19/87/06/384198706.db2.gz HYPDWIKQASDJCU-RKDXNWHRSA-N 0 3 202.298 0.511 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@H]1CCCOCC1 ZINC000644160355 384230412 /nfs/dbraw/zinc/23/04/12/384230412.db2.gz AKEYWXYZWBELRP-VHSXEESVSA-N 0 3 226.320 0.670 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@@H]1CCCOCC1 ZINC000644160353 384230465 /nfs/dbraw/zinc/23/04/65/384230465.db2.gz AKEYWXYZWBELRP-NXEZZACHSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@H](N)C(=O)NC[C@H]1CSCCS1 ZINC000157635613 384232533 /nfs/dbraw/zinc/23/25/33/384232533.db2.gz ZTWGJGGIPKWYML-BQBZGAKWSA-N 0 3 220.363 0.298 20 0 BCADHN O[C@]1(CNCc2ccncc2Cl)CCOC1 ZINC000227135742 384237110 /nfs/dbraw/zinc/23/71/10/384237110.db2.gz LEAHRIUKCTXTSE-NSHDSACASA-N 0 3 242.706 0.976 20 0 BCADHN C[C@H](C(N)=O)N(C)CC1CCOCC1 ZINC000082545194 384237373 /nfs/dbraw/zinc/23/73/73/384237373.db2.gz HULQSERBNQKOBH-MRVPVSSYSA-N 0 3 200.282 0.219 20 0 BCADHN CN(C(=O)[C@@H]1NCC1(C)C)c1ccn(C)n1 ZINC000644159910 384237733 /nfs/dbraw/zinc/23/77/33/384237733.db2.gz SSLVKNKPXBEASF-VIFPVBQESA-N 0 3 222.292 0.381 20 0 BCADHN C[C@@]1(O)CCCN(CCc2cnccn2)C1 ZINC000402901755 384237821 /nfs/dbraw/zinc/23/78/21/384237821.db2.gz LRBYCTCDVMLOSJ-GFCCVEGCSA-N 0 3 221.304 0.866 20 0 BCADHN COC(=O)c1ccc(CN[C@@H](C)CCO)o1 ZINC000132582079 384238216 /nfs/dbraw/zinc/23/82/16/384238216.db2.gz LLPRQMAIEKXARY-QMMMGPOBSA-N 0 3 227.260 0.927 20 0 BCADHN CCOC[C@H](C)N[C@H](C)CS(C)(=O)=O ZINC000081900969 384210702 /nfs/dbraw/zinc/21/07/02/384210702.db2.gz RLEIUXKYBAFSSD-DTWKUNHWSA-N 0 3 223.338 0.434 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCCC[C@@H]1O ZINC000081901071 384210794 /nfs/dbraw/zinc/21/07/94/384210794.db2.gz MDZNGQLWJKTCNC-BBBLOLIVSA-N 0 3 235.349 0.313 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H]1CCSC1 ZINC000081901815 384211449 /nfs/dbraw/zinc/21/14/49/384211449.db2.gz PMTLNWMQHUYGOK-JGVFFNPUSA-N 0 3 223.363 0.515 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCN1CCCC1 ZINC000081899018 384211956 /nfs/dbraw/zinc/21/19/56/384211956.db2.gz WYTJEVQYFQCVBZ-JTQLQIEISA-N 0 3 234.365 0.105 20 0 BCADHN C[C@H]1C[C@H](O)CN1CCc1cnccn1 ZINC000402887602 384213219 /nfs/dbraw/zinc/21/32/19/384213219.db2.gz CMPDSPZMIJSGCA-ONGXEEELSA-N 0 3 207.277 0.474 20 0 BCADHN O=C(CN1CC[C@@H](O)C12CCCC2)N1CCC1 ZINC000336365248 384218097 /nfs/dbraw/zinc/21/80/97/384218097.db2.gz ULYRQWLEPPKXMS-LLVKDONJSA-N 0 3 238.331 0.598 20 0 BCADHN O[C@H]1CCCN(CCc2cnccn2)CC1 ZINC000402890713 384220237 /nfs/dbraw/zinc/22/02/37/384220237.db2.gz FEOWMNIUWFVHBL-LBPRGKRZSA-N 0 3 221.304 0.866 20 0 BCADHN COCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000082256512 384220785 /nfs/dbraw/zinc/22/07/85/384220785.db2.gz TXHWWUAAJNVXQR-JTQLQIEISA-N 0 3 212.293 0.330 20 0 BCADHN CO[C@H](C)C(=O)N(C)C[C@@H]1CCCN1C ZINC000227943483 134399878 /nfs/dbraw/zinc/39/98/78/134399878.db2.gz FAUGYALYJCCCBQ-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN Cc1cnn(CCN[C@H](C)CS(C)(=O)=O)c1 ZINC000132249930 384223320 /nfs/dbraw/zinc/22/33/20/384223320.db2.gz LZVBLSKEAVBTRY-SNVBAGLBSA-N 0 3 245.348 0.214 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCCS1 ZINC000082303060 384223244 /nfs/dbraw/zinc/22/32/44/384223244.db2.gz ISRZRBVBLYRRIQ-MRVPVSSYSA-N 0 3 202.323 0.560 20 0 BCADHN OC[C@H]1CCCCN1CCc1cnccn1 ZINC000402933450 384277095 /nfs/dbraw/zinc/27/70/95/384277095.db2.gz UHLNJBMISPTCCD-GFCCVEGCSA-N 0 3 221.304 0.866 20 0 BCADHN O=C1CCN(CCc2ccccn2)CCN1 ZINC000073350262 384248872 /nfs/dbraw/zinc/24/88/72/384248872.db2.gz ZWMIEZUCJFHMDS-UHFFFAOYSA-N 0 3 219.288 0.446 20 0 BCADHN CCNC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082944101 384277194 /nfs/dbraw/zinc/27/71/94/384277194.db2.gz HBXSWHFOCOBHIT-GDPRMGEGSA-N 0 3 226.320 0.526 20 0 BCADHN CC[C@@](C)(CN[C@@H]1CCC(=O)N(C)C1=O)OC ZINC000319542174 384252476 /nfs/dbraw/zinc/25/24/76/384252476.db2.gz BISHQBNAIRFRGS-SKDRFNHKSA-N 0 3 242.319 0.539 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CCCCNC2=O)CO1 ZINC000401906234 384252673 /nfs/dbraw/zinc/25/26/73/384252673.db2.gz UBCUNGJJXIDFAV-KXUCPTDWSA-N 0 3 212.293 0.422 20 0 BCADHN CC[C@](C)(CN[C@H]1CCC(=O)N(C)C1=O)OC ZINC000319542172 384254405 /nfs/dbraw/zinc/25/44/05/384254405.db2.gz BISHQBNAIRFRGS-JOYOIKCWSA-N 0 3 242.319 0.539 20 0 BCADHN Cn1cncc1CN[C@@H]1CCCC[C@@H]1O ZINC000082717530 384259576 /nfs/dbraw/zinc/25/95/76/384259576.db2.gz NALCAFMIAJBLEN-MNOVXSKESA-N 0 3 209.293 0.813 20 0 BCADHN C[C@H](O)[C@H](C)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000514932318 384259513 /nfs/dbraw/zinc/25/95/13/384259513.db2.gz IJCSYTUFGBDINZ-XWLWVQCSSA-N 0 3 226.320 0.499 20 0 BCADHN CC[C@H](CO)NCc1c[nH]c(C(=O)OC)c1 ZINC000133623308 384263037 /nfs/dbraw/zinc/26/30/37/384263037.db2.gz MKLWPFXXGXPUJU-SECBINFHSA-N 0 3 226.276 0.662 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CC[C@](C)(O)C1 ZINC000300011098 384277929 /nfs/dbraw/zinc/27/79/29/384277929.db2.gz HGWBVCHINMOWDC-KWQFWETISA-N 0 3 212.293 0.110 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000135709136 384273986 /nfs/dbraw/zinc/27/39/86/384273986.db2.gz ZPAVFORZQAPNLU-GZMMTYOYSA-N 0 3 240.278 0.713 20 0 BCADHN CO[C@H](CN[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000332160241 384304464 /nfs/dbraw/zinc/30/44/64/384304464.db2.gz QWQLNVNYPZFRBB-WDEREUQCSA-N 0 3 247.360 0.578 20 0 BCADHN C[C@H]1C[C@H](Nc2cncc(C(N)=O)n2)CCN1C ZINC000426901212 384304892 /nfs/dbraw/zinc/30/48/92/384304892.db2.gz PSOLUBOMSLSDHK-DTWKUNHWSA-N 0 3 249.318 0.470 20 0 BCADHN CC[C@H](CO)N1CCN(CCSC)CC1 ZINC000174141083 384304894 /nfs/dbraw/zinc/30/48/94/384304894.db2.gz BQTZOAIXOVXQPF-LLVKDONJSA-N 0 3 232.393 0.738 20 0 BCADHN Cc1ccc(O)c(NC(=O)[C@H]2C[C@H](O)CN2)c1 ZINC000094574240 384307566 /nfs/dbraw/zinc/30/75/66/384307566.db2.gz LDKTUUOXDKZLQE-WCBMZHEXSA-N 0 3 236.271 0.362 20 0 BCADHN Cc1nc(N)nc(NC2CCN(C)CC2)n1 ZINC000304461512 384322691 /nfs/dbraw/zinc/32/26/91/384322691.db2.gz MHZVVSGUDUNMMB-UHFFFAOYSA-N 0 3 222.296 0.268 20 0 BCADHN O[C@H](CN[C@@H]1COCC[C@H]1O)CC(F)(F)F ZINC000634729351 384318256 /nfs/dbraw/zinc/31/82/56/384318256.db2.gz HCDQYBCKMGRRLM-XLPZGREQSA-N 0 3 243.225 0.039 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC000082277522 384319997 /nfs/dbraw/zinc/31/99/97/384319997.db2.gz SUGKTMOVZLVQNW-SECBINFHSA-N 0 3 207.277 0.839 20 0 BCADHN CN(C)CCn1nnc(-c2ccccc2)n1 ZINC000074338313 384280614 /nfs/dbraw/zinc/28/06/14/384280614.db2.gz SIVVZJPVAOYAOX-UHFFFAOYSA-N 0 3 217.276 0.902 20 0 BCADHN CO[C@@H]1CN(CC[C@H](C)O)C[C@H]1OC ZINC000300039395 384280900 /nfs/dbraw/zinc/28/09/00/384280900.db2.gz GXJJZXVEEVNSIB-IVZWLZJFSA-N 0 3 203.282 0.103 20 0 BCADHN C[C@@H]1CN(CCc2cnccn2)CC[C@H]1O ZINC000402943761 384281379 /nfs/dbraw/zinc/28/13/79/384281379.db2.gz ZONKHTCBTSQJQE-ZYHUDNBSSA-N 0 3 221.304 0.722 20 0 BCADHN CO[C@@H]1CCN(C[C@H](O)COC(C)C)C1 ZINC000300042438 384282090 /nfs/dbraw/zinc/28/20/90/384282090.db2.gz PMRMFSOKVZIIBL-WDEREUQCSA-N 0 3 217.309 0.493 20 0 BCADHN C[C@@H](CO)N(C)Cc1ccc(C(N)=O)cc1 ZINC000158871149 384282413 /nfs/dbraw/zinc/28/24/13/384282413.db2.gz BOQHDFKMCDJPAG-VIFPVBQESA-N 0 3 222.288 0.598 20 0 BCADHN C[C@H](N)C(=O)N1CCn2c3ccccc3nc21 ZINC000133344179 384284772 /nfs/dbraw/zinc/28/47/72/384284772.db2.gz CEYBQUJWUMBFPY-QMMMGPOBSA-N 0 3 230.271 0.730 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCCC[C@@H](C)C1 ZINC000187941254 384285053 /nfs/dbraw/zinc/28/50/53/384285053.db2.gz VVHOVRKUSODOBQ-BDAKNGLRSA-N 0 3 227.308 0.692 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1COc2ccccc2C1 ZINC000643645356 384286454 /nfs/dbraw/zinc/28/64/54/384286454.db2.gz RNVFJWQGPGJEEB-GARJFASQSA-N 0 3 232.283 0.454 20 0 BCADHN CCN(CC)[C@H]1CCN(S(=O)(=O)N(C)C)C1 ZINC000173994187 384287937 /nfs/dbraw/zinc/28/79/37/384287937.db2.gz XGLLZDNUBAPCKX-JTQLQIEISA-N 0 3 249.380 0.209 20 0 BCADHN Cc1ccc(CNC[C@@H](O)CO)s1 ZINC000083343648 384291180 /nfs/dbraw/zinc/29/11/80/384291180.db2.gz BYTRVYHMIZIAOD-MRVPVSSYSA-N 0 3 201.291 0.499 20 0 BCADHN CSC[C@@H](O)CN1CCC(CC(N)=O)CC1 ZINC000187830357 384323071 /nfs/dbraw/zinc/32/30/71/384323071.db2.gz GZRWVPRPEUVMFU-JTQLQIEISA-N 0 3 246.376 0.298 20 0 BCADHN NC1(C(=O)NCCOC2CCCC2)CC1 ZINC000083836225 384335772 /nfs/dbraw/zinc/33/57/72/384335772.db2.gz ATSMTXIYOWJJMB-UHFFFAOYSA-N 0 3 212.293 0.553 20 0 BCADHN COC(=O)CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000120228062 384339884 /nfs/dbraw/zinc/33/98/84/384339884.db2.gz CLSBFZARQLTSPZ-UWVGGRQHSA-N 0 3 242.319 0.539 20 0 BCADHN C[C@H](N)C(=O)NCc1nc2c(s1)CCCC2 ZINC000083888493 384343078 /nfs/dbraw/zinc/34/30/78/384343078.db2.gz JTNQQFRVPFZFJM-ZETCQYMHSA-N 0 3 239.344 0.985 20 0 BCADHN O=C1CCCCN1C1CCN(CCO)CC1 ZINC000120328736 384346982 /nfs/dbraw/zinc/34/69/82/384346982.db2.gz FKGYJNUSJHYREN-UHFFFAOYSA-N 0 3 226.320 0.456 20 0 BCADHN C[C@H](N)C(=O)NCc1cn2c(n1)CCCC2 ZINC000083935019 384348220 /nfs/dbraw/zinc/34/82/20/384348220.db2.gz LCCYZQSUSDFXBS-QMMMGPOBSA-N 0 3 222.292 0.183 20 0 BCADHN C[C@@H](N)C(=O)NCc1cccnc1N(C)C ZINC000083928454 384349056 /nfs/dbraw/zinc/34/90/56/384349056.db2.gz UHBYBEKSRRTRBP-MRVPVSSYSA-N 0 3 222.292 0.111 20 0 BCADHN CNC(=O)NC(=O)CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000127202535 384351490 /nfs/dbraw/zinc/35/14/90/384351490.db2.gz KWGCFSCURMSRCY-NXEZZACHSA-N 0 3 241.335 0.810 20 0 BCADHN C[C@@H]1OCC[C@@]1(C)N[C@H]1CCN(C)C1=O ZINC000300371154 384360680 /nfs/dbraw/zinc/36/06/80/384360680.db2.gz UVDRMBOOJOIDGD-ATZCPNFKSA-N 0 3 212.293 0.374 20 0 BCADHN CN(CC[C@@H]1CCOC1=O)CCn1cccn1 ZINC000120561674 384361976 /nfs/dbraw/zinc/36/19/76/384361976.db2.gz LXCSHRJIRURNNN-LLVKDONJSA-N 0 3 237.303 0.768 20 0 BCADHN CCS[C@H]1CCC[C@@H]1NCC(N)=O ZINC000300388838 384362280 /nfs/dbraw/zinc/36/22/80/384362280.db2.gz OWGALBNWFHKNSW-YUMQZZPRSA-N 0 3 202.323 0.736 20 0 BCADHN CC(=O)NCCCN[C@@H](C)c1ncc[nH]1 ZINC000330363888 384362809 /nfs/dbraw/zinc/36/28/09/384362809.db2.gz XVZULMIKTKIBSL-QMMMGPOBSA-N 0 3 210.281 0.587 20 0 BCADHN C[C@@H]1C[C@H](NCC(=O)NC2CCCC2)CO1 ZINC000401989259 384372830 /nfs/dbraw/zinc/37/28/30/384372830.db2.gz CLOFAZKZPNCBCD-KOLCDFICSA-N 0 3 226.320 0.812 20 0 BCADHN O=C([C@H]1CCc2c[nH]nc2C1)N1CCCNCC1 ZINC000428410161 384325732 /nfs/dbraw/zinc/32/57/32/384325732.db2.gz AILJESRGVASOJN-JTQLQIEISA-N 0 3 248.330 0.337 20 0 BCADHN Cc1cccc(CCN2CC[C@H](O)C2)n1 ZINC000335561334 384325759 /nfs/dbraw/zinc/32/57/59/384325759.db2.gz LYPHTZZNOQFCIY-LBPRGKRZSA-N 0 3 206.289 0.999 20 0 BCADHN CC(C)[C@](C)(CO)NC[C@H](O)C(F)(F)F ZINC000308831495 384330713 /nfs/dbraw/zinc/33/07/13/384330713.db2.gz GIHDYSNAAIUICJ-YUMQZZPRSA-N 0 3 229.242 0.906 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000335570800 384332968 /nfs/dbraw/zinc/33/29/68/384332968.db2.gz JIONGFKSEPOKNO-PWSUYJOCSA-N 0 3 226.320 0.576 20 0 BCADHN Cn1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2N)cn1 ZINC000643785424 384333208 /nfs/dbraw/zinc/33/32/08/384333208.db2.gz REWBDKJUUGFJPT-GRYCIOLGSA-N 0 3 248.330 0.821 20 0 BCADHN C[C@]1(CNC(=O)[C@H](N)C2CCC2)CCOC1 ZINC000331565264 384392375 /nfs/dbraw/zinc/39/23/75/384392375.db2.gz JNWXFWZNNKTDJH-ZYHUDNBSSA-N 0 3 226.320 0.657 20 0 BCADHN CN1C(=O)CC[C@H](N[C@H]2CCSC2)C1=O ZINC000084406616 384395493 /nfs/dbraw/zinc/39/54/93/384395493.db2.gz CHTZDQLHWFESRL-YUMQZZPRSA-N 0 3 228.317 0.229 20 0 BCADHN Cc1nc(CNC(=O)CN(C)C(C)C)no1 ZINC000134998177 384407015 /nfs/dbraw/zinc/40/70/15/384407015.db2.gz PRIXSULELDEVSU-UHFFFAOYSA-N 0 3 226.280 0.334 20 0 BCADHN CO[C@H](CN1C[C@@H](O)[C@H](O)C1)c1ccccc1 ZINC000330445753 384410756 /nfs/dbraw/zinc/41/07/56/384410756.db2.gz RAPAXJRQCPDNHV-JHJVBQTASA-N 0 3 237.299 0.412 20 0 BCADHN COC(=O)C1CCN(CCCCO)CC1 ZINC000035649643 384417645 /nfs/dbraw/zinc/41/76/45/384417645.db2.gz BEHZGASUPWSXAF-UHFFFAOYSA-N 0 3 215.293 0.644 20 0 BCADHN C[C@@H](NCC(=O)N(C)C)[C@H]1CCCO1 ZINC000035735898 384418243 /nfs/dbraw/zinc/41/82/43/384418243.db2.gz BBFIBHPTCKHWAQ-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@H](C)[C@H]2C)n(C)n1 ZINC000262796386 384424818 /nfs/dbraw/zinc/42/48/18/384424818.db2.gz OJZDHEBAGMSKPT-NXEZZACHSA-N 0 3 236.319 0.551 20 0 BCADHN CC(C)[C@@H](O)CNCc1cccc(C(N)=O)c1 ZINC000134701644 384380661 /nfs/dbraw/zinc/38/06/61/384380661.db2.gz ROWVHDCBUHNUQU-LBPRGKRZSA-N 0 3 236.315 0.892 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(=O)[nH]c1 ZINC000262672360 384381167 /nfs/dbraw/zinc/38/11/67/384381167.db2.gz PFXDIUKJZPQPGC-KCJUWKMLSA-N 0 3 237.303 0.777 20 0 BCADHN CCNC(=O)NC(=O)CN(CC1CC1)C(C)C ZINC000533495664 384387742 /nfs/dbraw/zinc/38/77/42/384387742.db2.gz UVXDESUBSJTBTL-UHFFFAOYSA-N 0 3 241.335 0.953 20 0 BCADHN CCN(C)C(=O)CNC1CC(OC)C1 ZINC000229606908 384389317 /nfs/dbraw/zinc/38/93/17/384389317.db2.gz RQHMOLYINTZGHT-UHFFFAOYSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@@H](NCC(C)(C)C(N)=O)c1cnn(C)c1 ZINC000134820259 384389877 /nfs/dbraw/zinc/38/98/77/384389877.db2.gz UHDNBODIXXGHRA-MRVPVSSYSA-N 0 3 224.308 0.582 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@@H](c1ccco1)N(C)C ZINC000121012337 384390831 /nfs/dbraw/zinc/39/08/31/384390831.db2.gz AYGDODZMICAQGS-UWVGGRQHSA-N 0 3 239.319 0.736 20 0 BCADHN COC[C@H](C)CC(=O)N1CCNC(C)(C)C1 ZINC000147985258 384457356 /nfs/dbraw/zinc/45/73/56/384457356.db2.gz BPFRZPSORWHHLD-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN O=C1C[C@H](N[C@H]2CCCOC2)[C@@H]2CCCCN12 ZINC000305972802 384450560 /nfs/dbraw/zinc/45/05/60/384450560.db2.gz JYTYIAPPPSNORB-SRVKXCTJSA-N 0 3 238.331 0.908 20 0 BCADHN O=C1C[C@H](N[C@@H]2CCCOC2)[C@H]2CCCCN12 ZINC000305972798 384450577 /nfs/dbraw/zinc/45/05/77/384450577.db2.gz JYTYIAPPPSNORB-GRYCIOLGSA-N 0 3 238.331 0.908 20 0 BCADHN CN(CCOCCO)CCO[C@@H]1CCCCO1 ZINC000305989634 384457719 /nfs/dbraw/zinc/45/77/19/384457719.db2.gz JAJMQQZUDLEULC-GFCCVEGCSA-N 0 3 247.335 0.470 20 0 BCADHN CC[C@@H](CO)N(C)Cc1cccc(C(N)=O)c1 ZINC000294093788 384430521 /nfs/dbraw/zinc/43/05/21/384430521.db2.gz MEEPSIJFZIBPFT-LBPRGKRZSA-N 0 3 236.315 0.988 20 0 BCADHN O=C([C@@H]1CCCCN1)N1CC[C@@]2(CCOC2)C1 ZINC000237937744 384434719 /nfs/dbraw/zinc/43/47/19/384434719.db2.gz ZNEPPWJQWWFPLD-WCQYABFASA-N 0 3 238.331 0.768 20 0 BCADHN CC(C)(C)[C@H](NCCC(C)(C)O)C(N)=O ZINC000308925331 384436635 /nfs/dbraw/zinc/43/66/35/384436635.db2.gz DDJKSDIOAUDDOX-MRVPVSSYSA-N 0 3 216.325 0.637 20 0 BCADHN CC[C@@H](C(=O)N1CCNC(=O)C[C@H]1C)N(C)C ZINC000370643327 384438920 /nfs/dbraw/zinc/43/89/20/384438920.db2.gz JDLYKNAXSZZQTI-ZJUUUORDSA-N 0 3 241.335 0.064 20 0 BCADHN COCc1nc(C(=O)NCCN(C)C)cs1 ZINC000121824800 384440985 /nfs/dbraw/zinc/44/09/85/384440985.db2.gz XENCGWQDIWZRNV-UHFFFAOYSA-N 0 3 243.332 0.581 20 0 BCADHN C[C@@H](NCC1(O)CCC1)[C@H](O)C(F)(F)F ZINC000647514865 384441987 /nfs/dbraw/zinc/44/19/87/384441987.db2.gz GDXZWQDWMCIQAY-RQJHMYQMSA-N 0 3 227.226 0.803 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](C)C(=O)OCC ZINC000427185649 384459872 /nfs/dbraw/zinc/45/98/72/384459872.db2.gz OJKNFJZJRDHYQF-SNVBAGLBSA-N 0 3 244.335 0.644 20 0 BCADHN CC[C@H](N)C(=O)NCCCOCC(C)C ZINC000036871597 384461153 /nfs/dbraw/zinc/46/11/53/384461153.db2.gz IETVZVUCKTUBIE-JTQLQIEISA-N 0 3 216.325 0.903 20 0 BCADHN CC[C@@H](N)C(=O)NCCCn1ccnc1 ZINC000036871552 384461500 /nfs/dbraw/zinc/46/15/00/384461500.db2.gz 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0.906 20 0 BCADHN c1cc(CNC[C@H]2COCCN2)cs1 ZINC000083874971 384537608 /nfs/dbraw/zinc/53/76/08/384537608.db2.gz XAPVSVGWKABGHW-JTQLQIEISA-N 0 3 212.318 0.826 20 0 BCADHN C[C@H](CO)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000303092481 384539831 /nfs/dbraw/zinc/53/98/31/384539831.db2.gz GMZKQFWAHZVKDE-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H](CN1CCCCC1)NC(=O)NCCO ZINC000303090897 384539977 /nfs/dbraw/zinc/53/99/77/384539977.db2.gz CKFGOTDJXQUWTE-SNVBAGLBSA-N 0 3 229.324 0.152 20 0 BCADHN COCC[C@H](C)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000353852945 384540015 /nfs/dbraw/zinc/54/00/15/384540015.db2.gz DVIPKSYWTPKMKW-GUBZILKMSA-N 0 3 235.349 0.577 20 0 BCADHN Cn1ccc(CNC[C@@H]2COCCO2)c1 ZINC000085590908 384540266 /nfs/dbraw/zinc/54/02/66/384540266.db2.gz VKFPYIZNQOJUSW-LLVKDONJSA-N 0 3 210.277 0.530 20 0 BCADHN CCN(CCO)CCNC(=O)c1cscn1 ZINC000183932754 384540902 /nfs/dbraw/zinc/54/09/02/384540902.db2.gz JUEHXJJPBORBEA-UHFFFAOYSA-N 0 3 243.332 0.187 20 0 BCADHN CC(C)[C@@](C)(CO)NCC(=O)N(C)C1CC1 ZINC000309706648 384541204 /nfs/dbraw/zinc/54/12/04/384541204.db2.gz VOOKFZSTEAJBMN-GFCCVEGCSA-N 0 3 228.336 0.604 20 0 BCADHN CCN1CCC[C@H]1CNc1nc(C)nc(N)n1 ZINC000306098938 384568863 /nfs/dbraw/zinc/56/88/63/384568863.db2.gz ORJFKWFNYFCEQR-VIFPVBQESA-N 0 3 236.323 0.658 20 0 BCADHN CCN1CCC[C@@H]1CNc1nc(C)nc(N)n1 ZINC000306098936 384568902 /nfs/dbraw/zinc/56/89/02/384568902.db2.gz ORJFKWFNYFCEQR-SECBINFHSA-N 0 3 236.323 0.658 20 0 BCADHN Cc1cnc(C(=O)N2CCN[C@H](C)[C@@H]2C)cn1 ZINC000262823127 384575288 /nfs/dbraw/zinc/57/52/88/384575288.db2.gz SXCFXAUDZBPAOF-ZJUUUORDSA-N 0 3 234.303 0.607 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)C1(N)CC1 ZINC000236772028 384575713 /nfs/dbraw/zinc/57/57/13/384575713.db2.gz YSDDCDRQUHLIBV-QMMMGPOBSA-N 0 3 200.282 0.001 20 0 BCADHN Cc1cnc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cn1 ZINC000262823125 384576729 /nfs/dbraw/zinc/57/67/29/384576729.db2.gz SXCFXAUDZBPAOF-UWVGGRQHSA-N 0 3 234.303 0.607 20 0 BCADHN CCc1ncncc1C(=O)N1CCCNCC1 ZINC000517932185 384577180 /nfs/dbraw/zinc/57/71/80/384577180.db2.gz GGVVPQXZLGUEKM-UHFFFAOYSA-N 0 3 234.303 0.475 20 0 BCADHN CN(C)C1(CN(C)C(=O)c2cn[nH]c2)CCC1 ZINC000097935615 384577210 /nfs/dbraw/zinc/57/72/10/384577210.db2.gz MNQYGEJCWWRNCA-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H](C)C[C@H](C)O ZINC000304305479 384577229 /nfs/dbraw/zinc/57/72/29/384577229.db2.gz PJFBBCYOJKZDTD-MNOVXSKESA-N 0 3 230.352 0.850 20 0 BCADHN COC[C@@H](CO)NC[C@@H](O)CCC(C)C ZINC000647526749 384590782 /nfs/dbraw/zinc/59/07/82/384590782.db2.gz BTXBEQDUTZSIII-MNOVXSKESA-N 0 3 219.325 0.380 20 0 BCADHN O=C1OC[C@@H]2CN([C@@H]3CCCC[C@H]3O)CCN12 ZINC000363472563 384585211 /nfs/dbraw/zinc/58/52/11/384585211.db2.gz RNVDEGPJFXMJSE-HBNTYKKESA-N 0 3 240.303 0.426 20 0 BCADHN CCCCOCCN(CCO)CCO ZINC000050103431 384588764 /nfs/dbraw/zinc/58/87/64/384588764.db2.gz RTKMJTDPQVBETE-UHFFFAOYSA-N 0 3 205.298 0.090 20 0 BCADHN Cc1cnn(C)c1CNC[C@H]1COCCO1 ZINC000309720627 384563982 /nfs/dbraw/zinc/56/39/82/384563982.db2.gz VXPZHRNITDSKQX-JTQLQIEISA-N 0 3 225.292 0.234 20 0 BCADHN C[C@@H](O)CN[C@@H](CO)c1ccsc1 ZINC000308280291 384565943 /nfs/dbraw/zinc/56/59/43/384565943.db2.gz WUMLQAHPPKJTBW-APPZFPTMSA-N 0 3 201.291 0.752 20 0 BCADHN COc1ncncc1CNCC1(O)CCCC1 ZINC000647181994 384566247 /nfs/dbraw/zinc/56/62/47/384566247.db2.gz AVCHBIQNSXXQPZ-UHFFFAOYSA-N 0 3 237.303 0.880 20 0 BCADHN Cc1[nH]ncc1CN1CCNC(=O)[C@H]1C ZINC000123541959 384567348 /nfs/dbraw/zinc/56/73/48/384567348.db2.gz WWGJATPXCQKUFU-MRVPVSSYSA-N 0 3 208.265 0.038 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403216812 384603500 /nfs/dbraw/zinc/60/35/00/384603500.db2.gz GYTIDEXVGDXUTG-NNYUYHANSA-N 0 3 238.331 0.670 20 0 BCADHN CC(C)CNC(=O)CN[C@@H](CO)C(C)C ZINC000086124575 384604987 /nfs/dbraw/zinc/60/49/87/384604987.db2.gz QQRUHBSFJLOFQG-JTQLQIEISA-N 0 3 216.325 0.365 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N(C)CC1CCC1 ZINC000111298551 384605409 /nfs/dbraw/zinc/60/54/09/384605409.db2.gz DZBOUGJDXUMGCL-ZETCQYMHSA-N 0 3 213.281 0.302 20 0 BCADHN CCOCCN1CCN(C[C@H]2CCOC2)CC1 ZINC000171567956 384606342 /nfs/dbraw/zinc/60/63/42/384606342.db2.gz PDFHRSYALMJALU-CYBMUJFWSA-N 0 3 242.363 0.677 20 0 BCADHN O=C(CN1CCNCC1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403229534 384607654 /nfs/dbraw/zinc/60/76/54/384607654.db2.gz MAMMTPOJNBUKCA-SDDRHHMPSA-N 0 3 237.347 0.196 20 0 BCADHN COC(=O)c1cc(CNC(=O)[C@H](C)N)oc1C ZINC000154352276 384610257 /nfs/dbraw/zinc/61/02/57/384610257.db2.gz GXRFGLKYQGNDSV-LURJTMIESA-N 0 3 240.259 0.338 20 0 BCADHN O=C1NCCCC[C@@H]1NC[C@H]1CCC=CO1 ZINC000050268291 384611274 /nfs/dbraw/zinc/61/12/74/384611274.db2.gz DWEYTUBANZKWBD-MNOVXSKESA-N 0 3 224.304 0.937 20 0 BCADHN O=C1NCCCC[C@H]1NC[C@H]1CCC=CO1 ZINC000050268290 384612674 /nfs/dbraw/zinc/61/26/74/384612674.db2.gz DWEYTUBANZKWBD-GHMZBOCLSA-N 0 3 224.304 0.937 20 0 BCADHN CSCCCC(=O)NCCN(C)C ZINC000071541638 384613125 /nfs/dbraw/zinc/61/31/25/384613125.db2.gz OOKMOTJJKMKMHF-UHFFFAOYSA-N 0 3 204.339 0.807 20 0 BCADHN NC(=O)CCN[C@H](CO)Cc1ccc(F)cc1 ZINC000647529978 384617037 /nfs/dbraw/zinc/61/70/37/384617037.db2.gz ZWLVLLVLPFPFHX-NSHDSACASA-N 0 3 240.278 0.194 20 0 BCADHN C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000117223454 384617966 /nfs/dbraw/zinc/61/79/66/384617966.db2.gz URLNFRSVAYJUBI-HTQZYQBOSA-N 0 3 208.261 0.858 20 0 BCADHN OC[C@@H](O)CNCc1cccc2ccoc21 ZINC000449267579 384618985 /nfs/dbraw/zinc/61/89/85/384618985.db2.gz ABPWUSZXAPHPNU-NSHDSACASA-N 0 3 221.256 0.876 20 0 BCADHN C[C@H]([NH3+])[C@H](C)NC(=O)c1ccccc1[O-] ZINC000117223460 384620040 /nfs/dbraw/zinc/62/00/40/384620040.db2.gz URLNFRSVAYJUBI-YUMQZZPRSA-N 0 3 208.261 0.858 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000556896313 384625050 /nfs/dbraw/zinc/62/50/50/384625050.db2.gz AXHULVJPTVILMK-ADEWGFFLSA-N 0 3 240.347 0.602 20 0 BCADHN CCCN[C@H](C)C(=O)NC(CC)(CC)C(N)=O ZINC000449271605 384625403 /nfs/dbraw/zinc/62/54/03/384625403.db2.gz PZZZSFFMULXKHF-SECBINFHSA-N 0 3 243.351 0.535 20 0 BCADHN C[C@H](NCCO)c1ccc(S(C)(=O)=O)cc1 ZINC000020596955 384627373 /nfs/dbraw/zinc/62/73/73/384627373.db2.gz FHDCKTMKZBKLIP-VIFPVBQESA-N 0 3 243.328 0.733 20 0 BCADHN CC(C)CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358062361 384627676 /nfs/dbraw/zinc/62/76/76/384627676.db2.gz HUBWEEBOPMCBTN-LLVKDONJSA-N 0 3 214.309 0.215 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)C[C@H]1CCOC1 ZINC000362499687 384628005 /nfs/dbraw/zinc/62/80/05/384628005.db2.gz QHEQYFSHYRICEZ-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](C(N)=O)N(C)CCCn1ccnc1 ZINC000124310900 384628544 /nfs/dbraw/zinc/62/85/44/384628544.db2.gz HMPJANOBJCHQAQ-JTQLQIEISA-N 0 3 224.308 0.469 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C)COC ZINC000041679407 384630823 /nfs/dbraw/zinc/63/08/23/384630823.db2.gz ZHLDBXCERGLHTH-BBBLOLIVSA-N 0 3 216.325 0.759 20 0 BCADHN C[C@@H](CO)N(C)C(=O)NC[C@@H]1CCCN1C ZINC000338632045 384593338 /nfs/dbraw/zinc/59/33/38/384593338.db2.gz RUGDJDLUBLWRCQ-UWVGGRQHSA-N 0 3 229.324 0.103 20 0 BCADHN COCCNCC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403173547 384597289 /nfs/dbraw/zinc/59/72/89/384597289.db2.gz LTGPVQNEXZOWEO-GARJFASQSA-N 0 3 226.320 0.527 20 0 BCADHN CCOCC(=O)Nc1cnn(CCN(C)C)c1 ZINC000061646931 384598478 /nfs/dbraw/zinc/59/84/78/384598478.db2.gz HSWOORCKWWCEKB-UHFFFAOYSA-N 0 3 240.307 0.420 20 0 BCADHN C[C@@H](NCCNS(C)(=O)=O)c1ccccc1 ZINC000020203089 384599487 /nfs/dbraw/zinc/59/94/87/384599487.db2.gz LQTOXNKKJDDTGL-SNVBAGLBSA-N 0 3 242.344 0.886 20 0 BCADHN C[C@H](NCCNS(C)(=O)=O)c1ccccc1 ZINC000020203091 384600438 /nfs/dbraw/zinc/60/04/38/384600438.db2.gz LQTOXNKKJDDTGL-JTQLQIEISA-N 0 3 242.344 0.886 20 0 BCADHN CC[C@H](COC)NC[C@@H]1CCCCS1(=O)=O ZINC000309626743 384667012 /nfs/dbraw/zinc/66/70/12/384667012.db2.gz GBCMFCQPTFVRIT-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN C[C@@H]1C[C@@H](N[C@H]2CC(=O)N(C3CC3)C2)CO1 ZINC000647189476 384672379 /nfs/dbraw/zinc/67/23/79/384672379.db2.gz XNXPIHJJPIBHMO-KXUCPTDWSA-N 0 3 224.304 0.517 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H](C)Cn1cccn1 ZINC000081900416 384638272 /nfs/dbraw/zinc/63/82/72/384638272.db2.gz SJOJPSRKSIYRMF-VHSXEESVSA-N 0 3 245.348 0.294 20 0 BCADHN CCOC(=O)CCN(C)[C@@H](C)COC ZINC000042375760 384639573 /nfs/dbraw/zinc/63/95/73/384639573.db2.gz QIKYKMRKWVYAMC-VIFPVBQESA-N 0 3 203.282 0.906 20 0 BCADHN C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1nnc[n-]1 ZINC000561309874 384641607 /nfs/dbraw/zinc/64/16/07/384641607.db2.gz YVQNESDWEMUMLM-IUCAKERBSA-N 0 3 237.307 0.324 20 0 BCADHN C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)c1nnc[n-]1 ZINC000561309874 384641613 /nfs/dbraw/zinc/64/16/13/384641613.db2.gz YVQNESDWEMUMLM-IUCAKERBSA-N 0 3 237.307 0.324 20 0 BCADHN C[C@H](NC(=O)CN1CC[C@H](C)C1)c1nc[nH]n1 ZINC000561309874 384641620 /nfs/dbraw/zinc/64/16/20/384641620.db2.gz YVQNESDWEMUMLM-IUCAKERBSA-N 0 3 237.307 0.324 20 0 BCADHN O=S(=O)([N-][C@H]1CCC[NH2+]C1)c1cscn1 ZINC000647188662 384645364 /nfs/dbraw/zinc/64/53/64/384645364.db2.gz CBGYPZAYYJYYTN-ZETCQYMHSA-N 0 3 247.345 0.173 20 0 BCADHN Cc1cn[nH]c1CN[C@H](C)C[S@@](C)=O ZINC000336654791 384645663 /nfs/dbraw/zinc/64/56/63/384645663.db2.gz MWQCNDNEYPCEAR-XLKFXECMSA-N 0 3 215.322 0.575 20 0 BCADHN CN1CC=C(CNCc2csnn2)CC1 ZINC000271833845 384648221 /nfs/dbraw/zinc/64/82/21/384648221.db2.gz FJFBKURVXPKTTO-UHFFFAOYSA-N 0 3 224.333 0.890 20 0 BCADHN CN1CC=C(CNC(=O)c2ccc(=O)[nH]c2)CC1 ZINC000271849965 384648294 /nfs/dbraw/zinc/64/82/94/384648294.db2.gz JCRHEEVLLUSALW-UHFFFAOYSA-N 0 3 247.298 0.779 20 0 BCADHN O=C(CCN1CCC[C@H](O)C1)Nc1cccnc1 ZINC000358096865 384653434 /nfs/dbraw/zinc/65/34/34/384653434.db2.gz MKUKEBUPRIRWGG-LBPRGKRZSA-N 0 3 249.314 0.867 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1cnn(C)c1 ZINC000041055067 384654261 /nfs/dbraw/zinc/65/42/61/384654261.db2.gz OEWCQARIYHUFCK-SECBINFHSA-N 0 3 210.281 0.020 20 0 BCADHN CNCC(=O)N1CCN(C)c2ccccc21 ZINC000082276213 384656183 /nfs/dbraw/zinc/65/61/83/384656183.db2.gz ZNWATEVFWUNXCE-UHFFFAOYSA-N 0 3 219.288 0.689 20 0 BCADHN CC[C@](C)(O)CN[C@@H](CO)c1cnn(C)c1 ZINC000309840033 384659737 /nfs/dbraw/zinc/65/97/37/384659737.db2.gz CSPDFBNSORFFNR-QWRGUYRKSA-N 0 3 227.308 0.204 20 0 BCADHN Cc1cnn(C)c1CNC[C@@](C)(O)C1CC1 ZINC000309863339 384676183 /nfs/dbraw/zinc/67/61/83/384676183.db2.gz NNWOHAHVNYUUHA-GFCCVEGCSA-N 0 3 223.320 0.979 20 0 BCADHN Cc1c(CN[C@H]2CO[C@H](C)C2)cnn1C ZINC000335426542 384723073 /nfs/dbraw/zinc/72/30/73/384723073.db2.gz XRKAIHMLDSHWLZ-LDYMZIIASA-N 0 3 209.293 0.996 20 0 BCADHN C[C@@H](Cn1cccn1)NCc1cncn1C ZINC000082394191 384677344 /nfs/dbraw/zinc/67/73/44/384677344.db2.gz RHDLAFHAYGRZNM-JTQLQIEISA-N 0 3 219.292 0.795 20 0 BCADHN C[C@@H](Cn1ccnc1)NCc1cncn1C ZINC000082394237 384679257 /nfs/dbraw/zinc/67/92/57/384679257.db2.gz BHUZDXAKIJBOEE-JTQLQIEISA-N 0 3 219.292 0.795 20 0 BCADHN CC[C@@H](NCC(=O)N1CCC1)[C@H]1CCCO1 ZINC000309865263 384679802 /nfs/dbraw/zinc/67/98/02/384679802.db2.gz OGKJDNCNYYVMEY-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN COC(=O)N1CC(N[C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000497175348 384680385 /nfs/dbraw/zinc/68/03/85/384680385.db2.gz DADDCNXFLXMEEC-KHQFGBGNSA-N 0 3 228.292 0.593 20 0 BCADHN CO[C@@H]1CCCN([C@@H]2CCNC2=O)CC1 ZINC000363680765 384687247 /nfs/dbraw/zinc/68/72/47/384687247.db2.gz YWZXERSKQZKBTF-NXEZZACHSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC000162833191 384694362 /nfs/dbraw/zinc/69/43/62/384694362.db2.gz IFOFSCMTJZCXMN-ZWNOBZJWSA-N 0 3 248.326 0.988 20 0 BCADHN C([C@H]1CCOC1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000374543720 384696489 /nfs/dbraw/zinc/69/64/89/384696489.db2.gz AUFVTGPTNJRCLK-FRRDWIJNSA-N 0 3 241.331 0.903 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1cccc(F)c1 ZINC000050458802 384697013 /nfs/dbraw/zinc/69/70/13/384697013.db2.gz VAEWVVMJWZTHTI-WDEREUQCSA-N 0 3 222.263 0.832 20 0 BCADHN CCOc1ccc(CNC(=O)CN)cc1F ZINC000082600331 384697584 /nfs/dbraw/zinc/69/75/84/384697584.db2.gz UGPVTHYMAUTCTD-UHFFFAOYSA-N 0 3 226.251 0.799 20 0 BCADHN CN(CCNc1cn[nH]c(=O)c1Cl)C1CC1 ZINC000082687817 384704484 /nfs/dbraw/zinc/70/44/84/384704484.db2.gz ATCGGIDEFTVEHA-UHFFFAOYSA-N 0 3 242.710 0.929 20 0 BCADHN CC1=CCCN(CCC(=O)NC(N)=O)C1 ZINC000280810641 168098146 /nfs/dbraw/zinc/09/81/46/168098146.db2.gz LYRGLCXYOLZINC-UHFFFAOYSA-N 0 3 211.265 0.223 20 0 BCADHN C[C@@H]1C[C@H](NCc2ccc(C(N)=O)nc2)CO1 ZINC000647190551 384707351 /nfs/dbraw/zinc/70/73/51/384707351.db2.gz FEDYHMCCEGWXAU-SCZZXKLOSA-N 0 3 235.287 0.448 20 0 BCADHN CC(C)(O)CNCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000258936094 384711495 /nfs/dbraw/zinc/71/14/95/384711495.db2.gz VWADAKLMUXZLOX-UHFFFAOYSA-N 0 3 235.287 0.717 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCC1=CCCOC1 ZINC000309918195 384715244 /nfs/dbraw/zinc/71/52/44/384715244.db2.gz QOQSHRJFNZBCHF-JTQLQIEISA-N 0 3 247.360 0.746 20 0 BCADHN CCOC[C@@H](C)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000309918453 384715766 /nfs/dbraw/zinc/71/57/66/384715766.db2.gz QRTFNGIHFPZHGO-NXEZZACHSA-N 0 3 249.376 0.967 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@@H](N)C(C)(C)C)no1 ZINC000125513271 384722919 /nfs/dbraw/zinc/72/29/19/384722919.db2.gz WLQYTHNEFGOWFE-SECBINFHSA-N 0 3 240.307 0.710 20 0 BCADHN NCC(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000083908641 384773160 /nfs/dbraw/zinc/77/31/60/384773160.db2.gz ZLBNYLDZROUUMC-JTQLQIEISA-N 0 3 208.236 0.888 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](C)[C@H]1C ZINC000248325693 384773315 /nfs/dbraw/zinc/77/33/15/384773315.db2.gz BLLRMSCITBZMGO-AEJSXWLSSA-N 0 3 241.335 0.951 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H](N)C2CCC2)CCO1 ZINC000335046011 384780802 /nfs/dbraw/zinc/78/08/02/384780802.db2.gz YFXSLBABLQVBAN-WPRPVWTQSA-N 0 3 212.293 0.361 20 0 BCADHN O=C(NCc1nc2cccnc2[n-]1)[C@H]1CCC[NH2+]1 ZINC000083908993 384774826 /nfs/dbraw/zinc/77/48/26/384774826.db2.gz MHJYUIBRPQHMRJ-SECBINFHSA-N 0 3 245.286 0.326 20 0 BCADHN CC[C@@H](CCO)CNCc1cncn1C ZINC000087362435 384775342 /nfs/dbraw/zinc/77/53/42/384775342.db2.gz MVXAXFDVXFUSGV-JTQLQIEISA-N 0 3 211.309 0.918 20 0 BCADHN CS(=O)(=O)[C@@H]1CCC[C@@H](NC2(CO)CC2)C1 ZINC000126436751 384776816 /nfs/dbraw/zinc/77/68/16/384776816.db2.gz FSTDFFROMPHMAC-NXEZZACHSA-N 0 3 247.360 0.457 20 0 BCADHN C[C@@H]1CN(C)CCN1C(=O)[C@H](N)C1CCC1 ZINC000335028464 384777304 /nfs/dbraw/zinc/77/73/04/384777304.db2.gz LEYFCGXRRUNIMB-MWLCHTKSSA-N 0 3 225.336 0.276 20 0 BCADHN CN1CC[C@H](c2nc(C3(N)CCC3)no2)C1 ZINC000518183949 384777434 /nfs/dbraw/zinc/77/74/34/384777434.db2.gz QZRQSJKZQOCXPF-QMMMGPOBSA-N 0 3 222.292 0.827 20 0 BCADHN CN(CC(F)F)C(=O)[C@H](N)CC(F)F ZINC000308524432 384780811 /nfs/dbraw/zinc/78/08/11/384780811.db2.gz ZXJRDFBXJZGJJB-SCSAIBSYSA-N 0 3 216.178 0.692 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N1CCSCC1 ZINC000308466512 384731843 /nfs/dbraw/zinc/73/18/43/384731843.db2.gz HJRQFZDQFJWTJD-LURJTMIESA-N 0 3 224.276 0.544 20 0 BCADHN N[C@H](CC(F)F)C(=O)N1CCSCC1 ZINC000308466515 384731864 /nfs/dbraw/zinc/73/18/64/384731864.db2.gz HJRQFZDQFJWTJD-ZCFIWIBFSA-N 0 3 224.276 0.544 20 0 BCADHN C[C@H](C[NH3+])CNC(=O)c1ccccc1[O-] ZINC000054139764 384734279 /nfs/dbraw/zinc/73/42/79/384734279.db2.gz YRUFKQMMIGVYLP-MRVPVSSYSA-N 0 3 208.261 0.717 20 0 BCADHN C[C@@H]1CN(c2ccnc(C(N)=O)c2)[C@H](C)CN1C ZINC000408434785 384736616 /nfs/dbraw/zinc/73/66/16/384736616.db2.gz IOBDSUKNVBLYDV-NXEZZACHSA-N 0 3 248.330 0.709 20 0 BCADHN CCC(CC)CNC(=O)CNCCOC ZINC000157963968 384736973 /nfs/dbraw/zinc/73/69/73/384736973.db2.gz LWNUXWPRRYSHOF-UHFFFAOYSA-N 0 3 216.325 0.775 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)N(C)Cc2cc[nH]n2)C1 ZINC000335047571 384779266 /nfs/dbraw/zinc/77/92/66/384779266.db2.gz WNKKAKLNFJSLGE-ONGXEEELSA-N 0 3 236.319 0.756 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H](N)C2CCC2)CCO1 ZINC000335046008 384780998 /nfs/dbraw/zinc/78/09/98/384780998.db2.gz YFXSLBABLQVBAN-PSASIEDQSA-N 0 3 212.293 0.361 20 0 BCADHN Cc1n[nH]cc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000083118397 384742700 /nfs/dbraw/zinc/74/27/00/384742700.db2.gz NARBMPOYSCKFRR-YUMQZZPRSA-N 0 3 222.292 0.541 20 0 BCADHN COC[C@H](O)CN[C@@H](CO)c1sccc1C ZINC000309965617 384743881 /nfs/dbraw/zinc/74/38/81/384743881.db2.gz NGMRNDNCVOVQFZ-ZJUUUORDSA-N 0 3 245.344 0.687 20 0 BCADHN Cc1n[nH]cc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000083118399 384745271 /nfs/dbraw/zinc/74/52/71/384745271.db2.gz NARBMPOYSCKFRR-JGVFFNPUSA-N 0 3 222.292 0.541 20 0 BCADHN CC[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1O ZINC000536370828 384748507 /nfs/dbraw/zinc/74/85/07/384748507.db2.gz SNJLBCWPDTWRDB-FRRDWIJNSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)NCC2(CO)CC2)C1 ZINC000167471358 384751073 /nfs/dbraw/zinc/75/10/73/384751073.db2.gz NFSNHHSZYYWFFM-VHSXEESVSA-N 0 3 226.320 0.263 20 0 BCADHN COC[C@@H](C)NC(=O)[C@@H](CN)c1ccccc1 ZINC000061610689 384754033 /nfs/dbraw/zinc/75/40/33/384754033.db2.gz NCYOCCPWDJSQKQ-PWSUYJOCSA-N 0 3 236.315 0.880 20 0 BCADHN COC[C@@H](C)NC(=O)[C@H](CN)c1ccccc1 ZINC000061610692 384756509 /nfs/dbraw/zinc/75/65/09/384756509.db2.gz NCYOCCPWDJSQKQ-ZYHUDNBSSA-N 0 3 236.315 0.880 20 0 BCADHN CC[C@H](CCO)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000309991052 384760787 /nfs/dbraw/zinc/76/07/87/384760787.db2.gz BASKSHCYSDLXHQ-DTWKUNHWSA-N 0 3 225.292 0.582 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCCO[C@H](C)C1 ZINC000061920203 384760991 /nfs/dbraw/zinc/76/09/91/384760991.db2.gz AJWNFQZODFALHQ-MXWKQRLJSA-N 0 3 228.336 0.997 20 0 BCADHN CCc1cc(C(=O)N2CCNC[C@@H]2C)n[nH]1 ZINC000126027962 384765219 /nfs/dbraw/zinc/76/52/19/384765219.db2.gz DBJCNBHDGBRNCC-QMMMGPOBSA-N 0 3 222.292 0.406 20 0 BCADHN CC(=O)Nc1ccc(CNC[C@@H](O)CO)cc1 ZINC000083365653 384765147 /nfs/dbraw/zinc/76/51/47/384765147.db2.gz KJIMSZXEMGSOSI-GFCCVEGCSA-N 0 3 238.287 0.088 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cccn2C)[C@H]1C ZINC000262703427 384765780 /nfs/dbraw/zinc/76/57/80/384765780.db2.gz BDUJSJDFDPXNDW-ZJUUUORDSA-N 0 3 221.304 0.848 20 0 BCADHN CSCC[C@@H](N)C(=O)NCc1ccncc1 ZINC000083367314 384766296 /nfs/dbraw/zinc/76/62/96/384766296.db2.gz KUOJDMQEJQSHBE-SNVBAGLBSA-N 0 3 239.344 0.778 20 0 BCADHN OC[C@H](O)CNCc1cccc(OC(F)F)c1 ZINC000083376325 384768247 /nfs/dbraw/zinc/76/82/47/384768247.db2.gz RTCFMNASMSUTGB-SECBINFHSA-N 0 3 247.241 0.731 20 0 BCADHN CCO[C@H]1C[C@H](N[C@@H]2COC[C@H]2O)C1(C)C ZINC000323379448 384770186 /nfs/dbraw/zinc/77/01/86/384770186.db2.gz GSDVXXGGMQWBBM-ZNSHCXBVSA-N 0 3 229.320 0.539 20 0 BCADHN O=C(CN1CCC[C@@H](c2nc[nH]n2)C1)NC1CC1 ZINC000363641676 384772377 /nfs/dbraw/zinc/77/23/77/384772377.db2.gz QKHQRFPXZMVYTN-SECBINFHSA-N 0 3 249.318 0.263 20 0 BCADHN COC[C@@H](O)CCN[C@@H]1CCCc2n[nH]cc21 ZINC000375809650 384816295 /nfs/dbraw/zinc/81/62/95/384816295.db2.gz UILOUKHQJRDYNB-GXSJLCMTSA-N 0 3 239.319 0.774 20 0 BCADHN CSC[C@H]1CCCN([C@H](C)C(N)=O)C1 ZINC000308581261 384818823 /nfs/dbraw/zinc/81/88/23/384818823.db2.gz PGGFGCQHYLSANP-BDAKNGLRSA-N 0 3 216.350 0.935 20 0 BCADHN COC[C@H](C)N[C@H](C)C(=O)NCCF ZINC000308579753 384819280 /nfs/dbraw/zinc/81/92/80/384819280.db2.gz GADVDKKXHUSNFE-JGVFFNPUSA-N 0 3 206.261 0.085 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2NCC2(C)C)CO1 ZINC000648205110 384837466 /nfs/dbraw/zinc/83/74/66/384837466.db2.gz TUSWRCCUFOAQHG-HRDYMLBCSA-N 0 3 212.293 0.278 20 0 BCADHN CC(C)(N)C(=O)NC[C@@]1(C)CCCO1 ZINC000083946130 384821602 /nfs/dbraw/zinc/82/16/02/384821602.db2.gz LOQXUTWUFIXXEP-SNVBAGLBSA-N 0 3 200.282 0.409 20 0 BCADHN Cc1ccc(N2CC[C@H](NC(=O)CN)C2)cc1 ZINC000083943775 384823050 /nfs/dbraw/zinc/82/30/50/384823050.db2.gz QXGARQHOKHOQJW-NSHDSACASA-N 0 3 233.315 0.649 20 0 BCADHN COCC[C@H](CO)N[C@@H]1CCCc2n[nH]cc21 ZINC000375838599 384823350 /nfs/dbraw/zinc/82/33/50/384823350.db2.gz JWAQMHZETOSNGV-MWLCHTKSSA-N 0 3 239.319 0.774 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCc1ccc(CO)o1 ZINC000126937740 384824079 /nfs/dbraw/zinc/82/40/79/384824079.db2.gz MIOOFBCKSYXCGO-DTWKUNHWSA-N 0 3 213.277 0.878 20 0 BCADHN C[C@H](NC(=O)C1(N)CCC1)c1cnn(C)c1 ZINC000304400634 384824203 /nfs/dbraw/zinc/82/42/03/384824203.db2.gz VVPXQZIZGMQJTN-QMMMGPOBSA-N 0 3 222.292 0.479 20 0 BCADHN CCN1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000390024883 384824274 /nfs/dbraw/zinc/82/42/74/384824274.db2.gz XLVCDQYQOSKRMP-JTQLQIEISA-N 0 3 235.287 0.611 20 0 BCADHN OCCCN(CCO)CCn1cc(Cl)cn1 ZINC000312880344 384826747 /nfs/dbraw/zinc/82/67/47/384826747.db2.gz GHOBYGVOPRRYMW-UHFFFAOYSA-N 0 3 247.726 0.213 20 0 BCADHN CO[C@H](C)CN[C@H](CO)[C@@H]1CCCO1 ZINC000308584274 384830244 /nfs/dbraw/zinc/83/02/44/384830244.db2.gz HSOHSRLOAPLNLL-BBBLOLIVSA-N 0 3 203.282 0.151 20 0 BCADHN CC[C@@H](OC)C(=O)N[C@H]1CNCCC1(F)F ZINC000449658680 384832918 /nfs/dbraw/zinc/83/29/18/384832918.db2.gz BQUWUCUDALOELX-SFYZADRCSA-N 0 3 236.262 0.525 20 0 BCADHN C[C@H](N[C@H]1CSC[C@@H]1C)C(=O)N(C)C ZINC000308525814 384781643 /nfs/dbraw/zinc/78/16/43/384781643.db2.gz IVBMJESDALFBML-CIUDSAMLSA-N 0 3 216.350 0.804 20 0 BCADHN Cn1cc([C@@H](CO)NCCCF)cn1 ZINC000308519173 384781904 /nfs/dbraw/zinc/78/19/04/384781904.db2.gz QFIPYBFRQNEAGD-SECBINFHSA-N 0 3 201.245 0.403 20 0 BCADHN CS[C@@H](CO)[C@H](C)NCc1cnn(C)c1C ZINC000126253683 384784014 /nfs/dbraw/zinc/78/40/14/384784014.db2.gz ZECMELJIWCZWNE-KWQFWETISA-N 0 3 243.376 0.931 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000335041482 384784122 /nfs/dbraw/zinc/78/41/22/384784122.db2.gz PZVTXWPPAGPOJX-GHMZBOCLSA-N 0 3 226.320 0.751 20 0 BCADHN Cc1c(CNC[C@@]2(O)CCSC2)cnn1C ZINC000126279574 384787821 /nfs/dbraw/zinc/78/78/21/384787821.db2.gz KDLSMXQCORDQKY-NSHDSACASA-N 0 3 241.360 0.686 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC000087442816 384793963 /nfs/dbraw/zinc/79/39/63/384793963.db2.gz QATMOWNJTSYPGD-MRVPVSSYSA-N 0 3 223.280 0.019 20 0 BCADHN NC1(C(=O)N2CCCSCC2)CC1 ZINC000083835451 384800634 /nfs/dbraw/zinc/80/06/34/384800634.db2.gz SFTNILQSNZPYJM-UHFFFAOYSA-N 0 3 200.307 0.443 20 0 BCADHN Cc1ccc(C)c(N2CCN(C(=O)CN)CC2)c1 ZINC000008410811 384803505 /nfs/dbraw/zinc/80/35/05/384803505.db2.gz RXQPODWCJCMQED-UHFFFAOYSA-N 0 3 247.342 0.911 20 0 BCADHN C[C@H](N)C(=O)NCc1ccccc1N(C)C ZINC000083884441 384808131 /nfs/dbraw/zinc/80/81/31/384808131.db2.gz CRTIWKBVCLZOPY-VIFPVBQESA-N 0 3 221.304 0.716 20 0 BCADHN C[C@H](N)C(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000083884325 384808648 /nfs/dbraw/zinc/80/86/48/384808648.db2.gz UZDLIDIOBNNZDK-ZETCQYMHSA-N 0 3 239.250 0.228 20 0 BCADHN CCN(C)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644300640 384809502 /nfs/dbraw/zinc/80/95/02/384809502.db2.gz JDKIKOFQCWPHQO-UWVGGRQHSA-N 0 3 211.309 0.694 20 0 BCADHN Cc1cc(C(=O)NC[C@H]2CCN(C)C2)no1 ZINC000104188711 384810767 /nfs/dbraw/zinc/81/07/67/384810767.db2.gz OGEHFWZSHREYGP-SECBINFHSA-N 0 3 223.276 0.665 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000083888860 384813017 /nfs/dbraw/zinc/81/30/17/384813017.db2.gz VLNUGUNMRFFGBP-ZCFIWIBFSA-N 0 3 235.243 0.417 20 0 BCADHN C[C@@H](N)C(=O)NCc1cccc(N(C)C)c1 ZINC000083914726 384814075 /nfs/dbraw/zinc/81/40/75/384814075.db2.gz QOWGHVRVDTVKBO-SECBINFHSA-N 0 3 221.304 0.716 20 0 BCADHN CCC[C@@H]1C[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000361719477 384815063 /nfs/dbraw/zinc/81/50/63/384815063.db2.gz UEUSFINEMBJMOZ-FXPVBKGRSA-N 0 3 214.284 0.993 20 0 BCADHN CNCC(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000083913426 384815360 /nfs/dbraw/zinc/81/53/60/384815360.db2.gz XQJBGSQLVIBXQD-LBPRGKRZSA-N 0 3 247.342 0.991 20 0 BCADHN COC[C@@H](O)CCNCc1ccncc1 ZINC000127475844 384871048 /nfs/dbraw/zinc/87/10/48/384871048.db2.gz BOTSRYMPDASUNX-NSHDSACASA-N 0 3 210.277 0.569 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@@H](N)CC(C)C)C1 ZINC000234819556 384871003 /nfs/dbraw/zinc/87/10/03/384871003.db2.gz WJWHDIWHCYYQFQ-ZJUUUORDSA-N 0 3 214.309 0.607 20 0 BCADHN CCSCCN[C@@H]1CCCN(C)C1=O ZINC000308624930 384872282 /nfs/dbraw/zinc/87/22/82/384872282.db2.gz VMVRKTKRHMZLPN-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN CCN(CCO)CCn1cc(Cl)cn1 ZINC000312900212 384872599 /nfs/dbraw/zinc/87/25/99/384872599.db2.gz LYZPBFACODTVBA-UHFFFAOYSA-N 0 3 217.700 0.851 20 0 BCADHN CC[C@](C)(NCCCC(=O)OC)C(N)=O ZINC000177126911 384873254 /nfs/dbraw/zinc/87/32/54/384873254.db2.gz ZPNGXEYQZOKPRF-JTQLQIEISA-N 0 3 216.281 0.183 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@H]1CCCCO1 ZINC000042823548 384873520 /nfs/dbraw/zinc/87/35/20/384873520.db2.gz DAXOSKLEYZHEGU-VHSXEESVSA-N 0 3 214.309 0.655 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cccc[n+]1[O-] ZINC000186766401 384877751 /nfs/dbraw/zinc/87/77/51/384877751.db2.gz ODEPDUOIQUQMCV-UHFFFAOYSA-N 0 3 249.314 0.486 20 0 BCADHN C[C@@H]1C[C@@H](NC[C@H]2CCCCS2(=O)=O)CO1 ZINC000647200446 384889968 /nfs/dbraw/zinc/88/99/68/384889968.db2.gz IGEVSDLVXCAGTF-GMTAPVOTSA-N 0 3 247.360 0.721 20 0 BCADHN CC(C(=O)N1CC[C@@H](C)[C@H]1C)S(C)(=O)=O ZINC000177148874 384887957 /nfs/dbraw/zinc/88/79/57/384887957.db2.gz DYARKFOABAUKEZ-IWSPIJDZSA-N 0 3 233.333 0.676 20 0 BCADHN CN(C)CCNC(=O)Cc1ccc2c(c1)CCO2 ZINC000054564774 384843262 /nfs/dbraw/zinc/84/32/62/384843262.db2.gz JPXGLHKBDQRLDR-UHFFFAOYSA-N 0 3 248.326 0.842 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C(=O)OC ZINC000236926668 384843282 /nfs/dbraw/zinc/84/32/82/384843282.db2.gz IVFBBMMWINVVRT-HTQZYQBOSA-N 0 3 230.308 0.428 20 0 BCADHN OCCN(CCn1cc(Cl)cn1)C1CC1 ZINC000312888190 384845588 /nfs/dbraw/zinc/84/55/88/384845588.db2.gz RLMXSTPZRVSUGH-UHFFFAOYSA-N 0 3 229.711 0.993 20 0 BCADHN C/C=C/C[C@H](CO)N[C@H](C)CS(C)(=O)=O ZINC000186512753 384847975 /nfs/dbraw/zinc/84/79/75/384847975.db2.gz VLAAEJDMFVDOPC-NUNSBDKSSA-N 0 3 235.349 0.336 20 0 BCADHN COC[C@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449661642 384848379 /nfs/dbraw/zinc/84/83/79/384848379.db2.gz JBYUWCWKKHJOEK-JGVFFNPUSA-N 0 3 236.262 0.382 20 0 BCADHN C[C@H](NC(=O)CO)[C@H](c1ccccc1)N(C)C ZINC000186497245 384848483 /nfs/dbraw/zinc/84/84/83/384848483.db2.gz YCELOMDNGMEZHD-GXFFZTMASA-N 0 3 236.315 0.786 20 0 BCADHN CCC[C@@H]1CN(C(=O)[C@@H](N)C(C)C)CCO1 ZINC000236931107 384850366 /nfs/dbraw/zinc/85/03/66/384850366.db2.gz KBXWUJZQVNPIHM-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN CCOC[C@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000370781675 384854858 /nfs/dbraw/zinc/85/48/58/384854858.db2.gz QFNAUHXIIDVROI-CMPLNLGQSA-N 0 3 244.310 0.573 20 0 BCADHN CS[C@@H]1CCC[C@@H](NC(=O)CN)C1 ZINC000225503766 384858287 /nfs/dbraw/zinc/85/82/87/384858287.db2.gz VKIUBFKFCVXCJI-HTQZYQBOSA-N 0 3 202.323 0.736 20 0 BCADHN COCCC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177066140 384858701 /nfs/dbraw/zinc/85/87/01/384858701.db2.gz HWJXUGVQPHQZSC-UWVGGRQHSA-N 0 3 226.320 0.764 20 0 BCADHN CN(C)CCNc1ncc(C(N)=O)cc1Cl ZINC000301076522 384860062 /nfs/dbraw/zinc/86/00/62/384860062.db2.gz IRIKKNLLONYXOJ-UHFFFAOYSA-N 0 3 242.710 0.807 20 0 BCADHN O=C(Nc1ccc2c(c1)CCC(=O)N2)[C@H]1CCN1 ZINC000335216184 384860452 /nfs/dbraw/zinc/86/04/52/384860452.db2.gz RVMDSNBWVZZRAQ-LLVKDONJSA-N 0 3 245.282 0.872 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000364036092 384889132 /nfs/dbraw/zinc/88/91/32/384889132.db2.gz JZWXMWWRPDGMPI-NTZNESFSSA-N 0 3 239.363 0.857 20 0 BCADHN CC1(C)CN(C(=O)[C@H](N)C2CCC2)CCO1 ZINC000335218821 384861124 /nfs/dbraw/zinc/86/11/24/384861124.db2.gz OMASUDYHVXKCNW-SNVBAGLBSA-N 0 3 226.320 0.751 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2ccc[n+]([O-])c2)C1 ZINC000105326347 384862496 /nfs/dbraw/zinc/86/24/96/384862496.db2.gz HWTSNHSICVSSAW-GFCCVEGCSA-N 0 3 249.314 0.486 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC000105327268 384863403 /nfs/dbraw/zinc/86/34/03/384863403.db2.gz SQUKDICQHBRFEI-SNVBAGLBSA-N 0 3 240.303 0.427 20 0 BCADHN CCN(CC)C(=O)CN(C)C(=O)C1(N)CCC1 ZINC000147946426 384864434 /nfs/dbraw/zinc/86/44/34/384864434.db2.gz IDAYLFKVMKQXNX-UHFFFAOYSA-N 0 3 241.335 0.195 20 0 BCADHN C[C@H](C(=O)NCC1(O)CCN(C)CC1)C1CC1 ZINC000331858545 384866696 /nfs/dbraw/zinc/86/66/96/384866696.db2.gz NFUAHMXXBPNVAM-JTQLQIEISA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H](C(=O)NCC1(O)CCN(C)CC1)C1CC1 ZINC000331858553 384866762 /nfs/dbraw/zinc/86/67/62/384866762.db2.gz NFUAHMXXBPNVAM-SNVBAGLBSA-N 0 3 240.347 0.605 20 0 BCADHN COc1ccc(C(=O)NC[C@@H](C)N(C)C)cn1 ZINC000046272778 384869281 /nfs/dbraw/zinc/86/92/81/384869281.db2.gz KABBQCPBZJTOPI-SECBINFHSA-N 0 3 237.303 0.770 20 0 BCADHN CN1C[C@@H](CN2CCC[C@@H](CO)CC2)OC1=O ZINC000497205079 384869465 /nfs/dbraw/zinc/86/94/65/384869465.db2.gz ZVTOFHWQFFEDSX-MNOVXSKESA-N 0 3 242.319 0.531 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)C[C@@H]1CCCOC1 ZINC000491879944 384949352 /nfs/dbraw/zinc/94/93/52/384949352.db2.gz BSWKNDDJGFBWOX-NTYUQYKDSA-N 0 3 240.347 0.989 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1ccc(N)cn1 ZINC000156763144 384950956 /nfs/dbraw/zinc/95/09/56/384950956.db2.gz BIDHADVIQUETFB-LLVKDONJSA-N 0 3 248.330 0.878 20 0 BCADHN C[C@]1(NCC(=O)N2CCC2)CCO[C@@H]1C1CC1 ZINC000371746723 384951402 /nfs/dbraw/zinc/95/14/02/384951402.db2.gz LNAYWXWXTILGMS-OLZOCXBDSA-N 0 3 238.331 0.766 20 0 BCADHN CCC(=O)N[C@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000156771894 384954717 /nfs/dbraw/zinc/95/47/17/384954717.db2.gz WGNWNALIYUACTG-VIFPVBQESA-N 0 3 241.335 0.241 20 0 BCADHN CN1CCC[C@@H](N2CCC[C@H](O)CC2)C1=O ZINC000559479334 384955234 /nfs/dbraw/zinc/95/52/34/384955234.db2.gz DURNTCJSHXPASY-WDEREUQCSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@@H](O)CCCN1CC[C@H](OC(=O)N(C)C)C1 ZINC000497307477 384956865 /nfs/dbraw/zinc/95/68/65/384956865.db2.gz VOPKDUKNRMLTJL-MNOVXSKESA-N 0 3 244.335 0.920 20 0 BCADHN COCC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177155443 384891443 /nfs/dbraw/zinc/89/14/43/384891443.db2.gz CIXDUJLOBKBZDJ-BDAKNGLRSA-N 0 3 212.293 0.374 20 0 BCADHN CNCC(=O)Nc1ccc2c(c1)CCN2C(N)=O ZINC000564941088 384892148 /nfs/dbraw/zinc/89/21/48/384892148.db2.gz ZYCASTQPMDQEAW-UHFFFAOYSA-N 0 3 248.286 0.286 20 0 BCADHN NC1(C(=O)NC[C@@H](O)C2CCCCC2)CC1 ZINC000151971502 384893252 /nfs/dbraw/zinc/89/32/52/384893252.db2.gz MBIGETBIUXVUIQ-SNVBAGLBSA-N 0 3 226.320 0.535 20 0 BCADHN Cn1cc(CCN2CCC[C@@H](O)C2)cn1 ZINC000112664360 384894175 /nfs/dbraw/zinc/89/41/75/384894175.db2.gz LPSHJSVGBCYVRA-LLVKDONJSA-N 0 3 209.293 0.419 20 0 BCADHN CSCCN(C)C[C@H]1CNC(=O)O1 ZINC000497233964 384894504 /nfs/dbraw/zinc/89/45/04/384894504.db2.gz SWIRFARTIBRXKA-SSDOTTSWSA-N 0 3 204.295 0.390 20 0 BCADHN CCOC[C@@H](O)CN1CCS[C@H](C)C1 ZINC000123588322 384958150 /nfs/dbraw/zinc/95/81/50/384958150.db2.gz NGYPBNPPGQQYDC-ZJUUUORDSA-N 0 3 219.350 0.821 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NCCOC(N)=O ZINC000497229765 384900026 /nfs/dbraw/zinc/90/00/26/384900026.db2.gz VSERFNIUGBNTFA-SECBINFHSA-N 0 3 243.307 0.486 20 0 BCADHN COC[C@@H](CCO)NCc1c(C)n[nH]c1C ZINC000164298997 384958569 /nfs/dbraw/zinc/95/85/69/384958569.db2.gz LWJMWTVMCGEJNR-SNVBAGLBSA-N 0 3 227.308 0.514 20 0 BCADHN COC[C@@H](O)CCNCc1cccc(O)c1 ZINC000127489070 384905106 /nfs/dbraw/zinc/90/51/06/384905106.db2.gz HGIKGSNMMKLSBT-LBPRGKRZSA-N 0 3 225.288 0.879 20 0 BCADHN O=C1NC[C@H](CN[C@@H]2CCO[C@H]2C2CC2)O1 ZINC000365192129 384906980 /nfs/dbraw/zinc/90/69/80/384906980.db2.gz VHMNXMZYEIWKFT-AEJSXWLSSA-N 0 3 226.276 0.252 20 0 BCADHN CC(C)C[C@H](N)c1noc([C@@H]2CNCCO2)n1 ZINC000647129990 384909642 /nfs/dbraw/zinc/90/96/42/384909642.db2.gz USRWMAWSGSGXNS-IUCAKERBSA-N 0 3 240.307 0.776 20 0 BCADHN CC(C)C[C@@H](N)c1noc([C@@H]2CNCCO2)n1 ZINC000647129988 384909870 /nfs/dbraw/zinc/90/98/70/384909870.db2.gz USRWMAWSGSGXNS-BDAKNGLRSA-N 0 3 240.307 0.776 20 0 BCADHN CCN(C)CCNC(=O)N[C@H](C)CCOC ZINC000102004280 384910319 /nfs/dbraw/zinc/91/03/19/384910319.db2.gz CMHQKONEPWGMLP-SNVBAGLBSA-N 0 3 231.340 0.662 20 0 BCADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(C)(C)O ZINC000259023603 384959173 /nfs/dbraw/zinc/95/91/73/384959173.db2.gz TTWXEJBAXZOWOY-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN CCCCNC(=O)[C@H](C)N1CC[C@@H](CO)C1 ZINC000225978996 384917954 /nfs/dbraw/zinc/91/79/54/384917954.db2.gz WZPCOFVGTVSHFS-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN CCOC(=O)N[C@H]1CCCN(CC[C@H](C)O)C1 ZINC000497262706 384919150 /nfs/dbraw/zinc/91/91/50/384919150.db2.gz QYHURZMTLGMGMI-QWRGUYRKSA-N 0 3 244.335 0.968 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000156762167 384959583 /nfs/dbraw/zinc/95/95/83/384959583.db2.gz WPKOCPPOASFCJS-AEJSXWLSSA-N 0 3 241.335 0.239 20 0 BCADHN CN(C[C@@H](O)CN1CCOCC1(C)C)C1CC1 ZINC000310254261 384926329 /nfs/dbraw/zinc/92/63/29/384926329.db2.gz GIDCYIBZHPPMHR-GFCCVEGCSA-N 0 3 242.363 0.552 20 0 BCADHN CCN(CCNC(=O)NC[C@H](C)CO)C1CC1 ZINC000102064889 384928256 /nfs/dbraw/zinc/92/82/56/384928256.db2.gz KZVYJDFQCMBMRJ-JTQLQIEISA-N 0 3 243.351 0.398 20 0 BCADHN COC(=O)CCCN[C@H](CO)[C@H]1CCCO1 ZINC000309939997 384930207 /nfs/dbraw/zinc/93/02/07/384930207.db2.gz BJRRBMUOKIZSJY-NXEZZACHSA-N 0 3 231.292 0.069 20 0 BCADHN CNC(=O)c1cccc(CNC[C@H](C)O)c1 ZINC000644519046 384932356 /nfs/dbraw/zinc/93/23/56/384932356.db2.gz IJSPPELTXAWOBY-VIFPVBQESA-N 0 3 222.288 0.517 20 0 BCADHN FC1(F)CCN(C[C@H]2CNCCO2)CC1 ZINC000259414702 384959795 /nfs/dbraw/zinc/95/97/95/384959795.db2.gz IKCRIZFBYZVJJU-SECBINFHSA-N 0 3 220.263 0.706 20 0 BCADHN N[C@H](C(=O)NC[C@@H]1CCCCO1)C1CCC1 ZINC000331905234 384938083 /nfs/dbraw/zinc/93/80/83/384938083.db2.gz RWNCHOBAINHBMX-QWRGUYRKSA-N 0 3 226.320 0.799 20 0 BCADHN COc1ccc(F)cc1CNC(=O)C1(N)CC1 ZINC000258751682 384939607 /nfs/dbraw/zinc/93/96/07/384939607.db2.gz KPSIJMIIKNHVAQ-UHFFFAOYSA-N 0 3 238.262 0.942 20 0 BCADHN CN1CCNC[C@H]1CNCc1ccc(F)cc1 ZINC000258818593 384940686 /nfs/dbraw/zinc/94/06/86/384940686.db2.gz CEFDCDQDTMZKOZ-ZDUSSCGKSA-N 0 3 237.322 0.819 20 0 BCADHN C[C@H]1CNCCN1c1cc(NC2CC2)ncn1 ZINC000258768550 384942751 /nfs/dbraw/zinc/94/27/51/384942751.db2.gz QGCLNCGQVSTUMQ-VIFPVBQESA-N 0 3 233.319 0.849 20 0 BCADHN CN(C[C@@H]1CCCOC1)C(=O)[C@@]1(F)CCNC1 ZINC000156738579 384946623 /nfs/dbraw/zinc/94/66/23/384946623.db2.gz UMNXWMQPVXWMRZ-CMPLNLGQSA-N 0 3 244.310 0.573 20 0 BCADHN Cc1nn(C)cc1CN[C@@H](C)CN(C)C ZINC000127946390 384966648 /nfs/dbraw/zinc/96/66/48/384966648.db2.gz FYTIPFAIUYZTEB-VIFPVBQESA-N 0 3 210.325 0.768 20 0 BCADHN CC(=O)NCCN(C)C[C@H]1CCCOC1 ZINC000557482616 384968433 /nfs/dbraw/zinc/96/84/33/384968433.db2.gz OKMFKJVVYIAPBI-LLVKDONJSA-N 0 3 214.309 0.481 20 0 BCADHN CC1(C)COC[C@@H]1NC[C@H](O)C(F)(F)F ZINC000312972610 384969314 /nfs/dbraw/zinc/96/93/14/384969314.db2.gz AZDPTNFESIOGHG-BQBZGAKWSA-N 0 3 227.226 0.924 20 0 BCADHN CN(CCNC(=O)[C@@H]1C[C@]12CCOC2)C1CC1 ZINC000364087773 384969722 /nfs/dbraw/zinc/96/97/22/384969722.db2.gz URAOZADSCAPFEN-AAEUAGOBSA-N 0 3 238.331 0.623 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCC(C)(C)C(N)=O ZINC000226319500 384971213 /nfs/dbraw/zinc/97/12/13/384971213.db2.gz KXGNGSJQOCSYTL-LLVKDONJSA-N 0 3 229.324 0.132 20 0 BCADHN CN(CCO)C(=O)CN1CCC(C)(C)C1 ZINC000557488115 384973196 /nfs/dbraw/zinc/97/31/96/384973196.db2.gz FQBFDWRHDZCLAZ-UHFFFAOYSA-N 0 3 214.309 0.169 20 0 BCADHN Cn1cc(CNCCCC(=O)NC2CC2)cn1 ZINC000108105328 385021442 /nfs/dbraw/zinc/02/14/42/385021442.db2.gz KILCCYHZVTZYLM-UHFFFAOYSA-N 0 3 236.319 0.569 20 0 BCADHN CSCC[C@@H](N)C(=O)N1CCOC(C)(C)C1 ZINC000077558840 384976605 /nfs/dbraw/zinc/97/66/05/384976605.db2.gz VISCYSHSVHATQL-SECBINFHSA-N 0 3 246.376 0.704 20 0 BCADHN CCOC[C@H](O)CNCc1cncn1C(C)C ZINC000310335083 384982785 /nfs/dbraw/zinc/98/27/85/384982785.db2.gz KZQDCPHMJUDWNB-GFCCVEGCSA-N 0 3 241.335 0.951 20 0 BCADHN CC[C@H]1CN(C[C@H](O)CN(C)C2CC2)CCO1 ZINC000310330806 384984367 /nfs/dbraw/zinc/98/43/67/384984367.db2.gz JZOAGSJIRPLNRS-OLZOCXBDSA-N 0 3 242.363 0.552 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H]1CO[C@@H](C)C1 ZINC000647242004 384985984 /nfs/dbraw/zinc/98/59/84/384985984.db2.gz DLFZJURVKVOHLI-SGIHWFKDSA-N 0 3 201.266 0.167 20 0 BCADHN OC[C@@H]1CCN(CCc2ccccc2)C[C@H]1O ZINC000557504602 384986352 /nfs/dbraw/zinc/98/63/52/384986352.db2.gz CWQCMRZZEIPCGL-UONOGXRCSA-N 0 3 235.327 0.904 20 0 BCADHN CNS(=O)(=O)CCNC1CC(C)(C)C1 ZINC000332035017 384987721 /nfs/dbraw/zinc/98/77/21/384987721.db2.gz IHUDGMDBKCKUAN-UHFFFAOYSA-N 0 3 220.338 0.314 20 0 BCADHN CO[C@H](C)C(=O)NC1(CN(C)C)CCC1 ZINC000339398847 384988409 /nfs/dbraw/zinc/98/84/09/384988409.db2.gz DPSQZURGXAURKC-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H](O)CN[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000644579829 384988385 /nfs/dbraw/zinc/98/83/85/384988385.db2.gz NMSIONPJGDIQDS-ZRUFSTJUSA-N 0 3 226.320 0.356 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCc1cn[nH]c1 ZINC000309978136 384988528 /nfs/dbraw/zinc/98/85/28/384988528.db2.gz UVSKWMOOWGYVTR-SECBINFHSA-N 0 3 245.348 0.365 20 0 BCADHN CC1(C)C[C@@H]1CNC(=O)C[C@@H]1CNCCO1 ZINC000226351452 384988751 /nfs/dbraw/zinc/98/87/51/384988751.db2.gz VIRUXBRQQYFYPY-NXEZZACHSA-N 0 3 226.320 0.527 20 0 BCADHN C[C@H](CNC(=O)Cc1cc[nH]n1)N(C)C1CC1 ZINC000175965292 384989131 /nfs/dbraw/zinc/98/91/31/384989131.db2.gz KUXOWBJMRWPDDF-SECBINFHSA-N 0 3 236.319 0.551 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCC[C@@H](CO)C2)C1 ZINC000557514048 384991928 /nfs/dbraw/zinc/99/19/28/384991928.db2.gz HNKPAMFYOMSCHK-VXGBXAGGSA-N 0 3 240.347 0.559 20 0 BCADHN Cc1nc(CCNCc2ccns2)n[nH]1 ZINC000404439953 384992253 /nfs/dbraw/zinc/99/22/53/384992253.db2.gz GHHVKXFVNIZXLC-UHFFFAOYSA-N 0 3 223.305 0.902 20 0 BCADHN Cc1n[nH]c(CCNCc2ccns2)n1 ZINC000404439953 384992259 /nfs/dbraw/zinc/99/22/59/384992259.db2.gz GHHVKXFVNIZXLC-UHFFFAOYSA-N 0 3 223.305 0.902 20 0 BCADHN CO[C@]1(CNCc2cccn2C)CCOC1 ZINC000156858772 384992983 /nfs/dbraw/zinc/99/29/83/384992983.db2.gz KWYODRWZZHXQER-LBPRGKRZSA-N 0 3 224.304 0.920 20 0 BCADHN CN1CCN(C)[C@@H](CNCc2ccns2)C1 ZINC000404433116 384993053 /nfs/dbraw/zinc/99/30/53/384993053.db2.gz JKYUJCGIFZIYIN-JTQLQIEISA-N 0 3 240.376 0.479 20 0 BCADHN Cc1ccc(CN2CCC[C@](O)(C(N)=O)C2)o1 ZINC000310340431 384993073 /nfs/dbraw/zinc/99/30/73/384993073.db2.gz CPTXQIHLFXANFS-GFCCVEGCSA-N 0 3 238.287 0.400 20 0 BCADHN O[C@@]1(CCNCc2ccns2)CCOC1 ZINC000404436506 384996013 /nfs/dbraw/zinc/99/60/13/384996013.db2.gz GOPLZMCCZOSZHK-JTQLQIEISA-N 0 3 228.317 0.774 20 0 BCADHN C[C@H](CC(N)=O)N[C@H](C)c1cnn(C)c1 ZINC000129454787 384997750 /nfs/dbraw/zinc/99/77/50/384997750.db2.gz SWGYQPVIXXPOJL-HTQZYQBOSA-N 0 3 210.281 0.335 20 0 BCADHN CCN1CCCN(c2nccn3nnnc23)CC1 ZINC000530633515 384999645 /nfs/dbraw/zinc/99/96/45/384999645.db2.gz OWVKXSIHRABSJA-UHFFFAOYSA-N 0 3 247.306 0.051 20 0 BCADHN CCS(=O)(=O)N[C@@H](C)CN(C)C(C)C ZINC000308700220 385000744 /nfs/dbraw/zinc/00/07/44/385000744.db2.gz UTGZOZHNWGFLJU-VIFPVBQESA-N 0 3 222.354 0.654 20 0 BCADHN CC(C)C1(CNC(=O)C[C@H]2CNCCO2)CC1 ZINC000226371335 385001048 /nfs/dbraw/zinc/00/10/48/385001048.db2.gz DKSZNLIUYVIIIW-NSHDSACASA-N 0 3 240.347 0.917 20 0 BCADHN CC1(C)[C@H](O)CCN1CC(=O)N1CCCCC1 ZINC000310372319 385001630 /nfs/dbraw/zinc/00/16/30/385001630.db2.gz YCZGCSCKQJFBIT-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H](CN[C@@H](C)[C@H]1CCCCO1)S(C)(=O)=O ZINC000644616888 385005998 /nfs/dbraw/zinc/00/59/98/385005998.db2.gz SLWRREACCHDKOI-GARJFASQSA-N 0 3 249.376 0.967 20 0 BCADHN COCC[C@H](CO)NCc1cccc(O)c1 ZINC000300872535 385008433 /nfs/dbraw/zinc/00/84/33/385008433.db2.gz NLECYIBLBOUCGK-LLVKDONJSA-N 0 3 225.288 0.879 20 0 BCADHN NC(=O)CCN[C@H]1CCN(c2ccccn2)C1 ZINC000644608380 385009088 /nfs/dbraw/zinc/00/90/88/385009088.db2.gz GZHOCXWUCVBGKO-JTQLQIEISA-N 0 3 234.303 0.125 20 0 BCADHN CCOCC[C@H](O)CNCc1cc(C)ncn1 ZINC000644609253 385010025 /nfs/dbraw/zinc/01/00/25/385010025.db2.gz ZXNMEIYZDRATAB-LBPRGKRZSA-N 0 3 239.319 0.662 20 0 BCADHN C[C@@H](N[C@H](C)c1ccccc1)C(=O)NC(N)=O ZINC000058486547 385011204 /nfs/dbraw/zinc/01/12/04/385011204.db2.gz NGWWAHCWGYHJEV-RKDXNWHRSA-N 0 3 235.287 0.921 20 0 BCADHN COC(=O)[C@H]1CCN(CCC(=O)NC(C)C)C1 ZINC000107823945 385011743 /nfs/dbraw/zinc/01/17/43/385011743.db2.gz OJDSZGICPBKZJY-JTQLQIEISA-N 0 3 242.319 0.396 20 0 BCADHN CN(C)C[C@@H]1CN(Cc2cc[nH]n2)CCO1 ZINC000128199481 385012096 /nfs/dbraw/zinc/01/20/96/385012096.db2.gz OOCBEIWOWXCDDQ-LLVKDONJSA-N 0 3 224.308 0.172 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000491908686 385013532 /nfs/dbraw/zinc/01/35/32/385013532.db2.gz VTGILNZOQDPERG-MGNMTHHWSA-N 0 3 240.347 0.772 20 0 BCADHN CN(C)C[C@H]1CN(Cc2cc[nH]n2)CCO1 ZINC000128199728 385013878 /nfs/dbraw/zinc/01/38/78/385013878.db2.gz OOCBEIWOWXCDDQ-NSHDSACASA-N 0 3 224.308 0.172 20 0 BCADHN COCCNCCNC(=O)[C@]1(C)CC1(F)F ZINC000646905105 385014185 /nfs/dbraw/zinc/01/41/85/385014185.db2.gz AAILXKLCRKDQHB-VIFPVBQESA-N 0 3 236.262 0.384 20 0 BCADHN O[C@@]1(CNCc2ccns2)CCOC1 ZINC000404466351 385014735 /nfs/dbraw/zinc/01/47/35/385014735.db2.gz SRILLMLENDVHGJ-SECBINFHSA-N 0 3 214.290 0.384 20 0 BCADHN COC(=O)C1CCN(C[C@@H](O)C(C)C)CC1 ZINC000300873858 385016965 /nfs/dbraw/zinc/01/69/65/385016965.db2.gz LISQOZRVCGSPQA-LLVKDONJSA-N 0 3 229.320 0.888 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@](C)(O)C2CC2)C1 ZINC000557561556 385018603 /nfs/dbraw/zinc/01/86/03/385018603.db2.gz NFKMFLIDDDWVBN-GXFFZTMASA-N 0 3 240.347 0.605 20 0 BCADHN O[C@H](CN[C@H]1CCn2ccnc2C1)C(F)(F)F ZINC000644625775 385019849 /nfs/dbraw/zinc/01/98/49/385019849.db2.gz SCPBDUUYESZXPX-JGVFFNPUSA-N 0 3 249.236 0.711 20 0 BCADHN O[C@H](CN[C@@H]1CCn2ccnc2C1)C(F)(F)F ZINC000644625774 385019955 /nfs/dbraw/zinc/01/99/55/385019955.db2.gz SCPBDUUYESZXPX-HTQZYQBOSA-N 0 3 249.236 0.711 20 0 BCADHN CC[C@H](Cn1cncn1)NC1COCCOC1 ZINC000644552001 384962567 /nfs/dbraw/zinc/96/25/67/384962567.db2.gz CBIOWYIKLNMGIT-SNVBAGLBSA-N 0 3 240.307 0.062 20 0 BCADHN CCC1(CN[C@@H]2CCCS(=O)(=O)C2)COC1 ZINC000309845003 385049151 /nfs/dbraw/zinc/04/91/51/385049151.db2.gz GBRBPUHJKNXFBH-SNVBAGLBSA-N 0 3 247.360 0.580 20 0 BCADHN C[C@@H](O)CNCc1cnc2n1CCCC2 ZINC000644643351 385050902 /nfs/dbraw/zinc/05/09/02/385050902.db2.gz SYVLWAPENYPVCV-SECBINFHSA-N 0 3 209.293 0.690 20 0 BCADHN C[C@@H](N[C@@H]1CCOC1(C)C)C(=O)NCCF ZINC000340380124 385051678 /nfs/dbraw/zinc/05/16/78/385051678.db2.gz FLIRMAIHCLJGGQ-RKDXNWHRSA-N 0 3 232.299 0.618 20 0 BCADHN CN(C)CCN(C)C(=O)NCc1cnn(C)c1 ZINC000176262386 385051926 /nfs/dbraw/zinc/05/19/26/385051926.db2.gz SZPHRFIRQNSICJ-UHFFFAOYSA-N 0 3 239.323 0.123 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@H](C)CS(C)(=O)=O ZINC000308738041 385056165 /nfs/dbraw/zinc/05/61/65/385056165.db2.gz MTFKSVWOQDPJDV-HRDYMLBCSA-N 0 3 237.390 0.903 20 0 BCADHN CCn1nncc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000646918956 385058671 /nfs/dbraw/zinc/05/86/71/385058671.db2.gz BVCPGACKSDRRPA-ONGXEEELSA-N 0 3 249.318 0.074 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)Cc3ccncc3)[C@@H]2C1 ZINC000646918073 385058836 /nfs/dbraw/zinc/05/88/36/385058836.db2.gz MYOPGMNJZSBUNB-QWHCGFSZSA-N 0 3 245.326 0.787 20 0 BCADHN Cn1cncc1CC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000646917062 385058963 /nfs/dbraw/zinc/05/89/63/385058963.db2.gz WKHLLVBLRHAPJR-JQWIXIFHSA-N 0 3 248.330 0.125 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@]2(C)CCCO2)C1 ZINC000646917981 385059158 /nfs/dbraw/zinc/05/91/58/385059158.db2.gz KUQBMOWEISGUQX-GMXVVIOVSA-N 0 3 238.331 0.718 20 0 BCADHN C[C@H](CO)CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000245744951 385060046 /nfs/dbraw/zinc/06/00/46/385060046.db2.gz FRZRFKAPWZEIGU-QCNOEVLYSA-N 0 3 242.363 0.992 20 0 BCADHN C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[C@H](C)O ZINC000557636184 385060280 /nfs/dbraw/zinc/06/02/80/385060280.db2.gz WRDOFDJXUODUSH-UTUOFQBUSA-N 0 3 242.363 0.851 20 0 BCADHN COC[C@](C)(O)CCNC[C@@H](O)C(F)(F)F ZINC000644656102 385062976 /nfs/dbraw/zinc/06/29/76/385062976.db2.gz QMZXTPDXYXDPIB-HTQZYQBOSA-N 0 3 245.241 0.287 20 0 BCADHN COCC(C)(C)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646911854 385065138 /nfs/dbraw/zinc/06/51/38/385065138.db2.gz IIKMOZITGUWDRU-MNOVXSKESA-N 0 3 240.347 0.822 20 0 BCADHN CC[C@@H](C(=O)N1CCN[C@H](C)C1)N(C)C ZINC000189021675 385065760 /nfs/dbraw/zinc/06/57/60/385065760.db2.gz AMFJPGXWRVUKLI-ZJUUUORDSA-N 0 3 213.325 0.147 20 0 BCADHN COCC(C)(C)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646911853 385066406 /nfs/dbraw/zinc/06/64/06/385066406.db2.gz IIKMOZITGUWDRU-GHMZBOCLSA-N 0 3 240.347 0.822 20 0 BCADHN C[C@@H](CO)CNC(=O)CN1CC[C@@H](C)C1 ZINC000646914240 385067042 /nfs/dbraw/zinc/06/70/42/385067042.db2.gz STNILQANQWMWJQ-NXEZZACHSA-N 0 3 214.309 0.073 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646941299 385070139 /nfs/dbraw/zinc/07/01/39/385070139.db2.gz XIXCECUVOIDIDS-MXWKQRLJSA-N 0 3 226.320 0.166 20 0 BCADHN CCC[C@](C)(O)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646941246 385070548 /nfs/dbraw/zinc/07/05/48/385070548.db2.gz WMICIGMKHOAPMZ-MDZLAQPJSA-N 0 3 240.347 0.700 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646941367 385071099 /nfs/dbraw/zinc/07/10/99/385071099.db2.gz YMXAJBGGFIXGSS-NWDGAFQWSA-N 0 3 239.363 0.491 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)[nH]n1 ZINC000646915315 385071850 /nfs/dbraw/zinc/07/18/50/385071850.db2.gz OCLSLNIAMBFHJJ-MWLCHTKSSA-N 0 3 234.303 0.494 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)n[nH]1 ZINC000646915315 385071863 /nfs/dbraw/zinc/07/18/63/385071863.db2.gz OCLSLNIAMBFHJJ-MWLCHTKSSA-N 0 3 234.303 0.494 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)CC(C)(C)O)[C@@H]2C1 ZINC000646933424 385074866 /nfs/dbraw/zinc/07/48/66/385074866.db2.gz CIHUASZSSDQSRB-VHSXEESVSA-N 0 3 226.320 0.310 20 0 BCADHN CN1C[C@H]2CCN(C(=O)CC(C)(C)O)[C@H]2C1 ZINC000646933425 385076389 /nfs/dbraw/zinc/07/63/89/385076389.db2.gz CIHUASZSSDQSRB-ZJUUUORDSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@H](NC(=O)[C@H]1C[C@H](F)CN1)c1cccnc1 ZINC000188697116 385079195 /nfs/dbraw/zinc/07/91/95/385079195.db2.gz OJGOZOOMYYAMAQ-INTQDDNPSA-N 0 3 237.278 0.959 20 0 BCADHN COc1ncncc1CNCCC1CC(O)C1 ZINC000647206605 385028955 /nfs/dbraw/zinc/02/89/55/385028955.db2.gz YTKSAHUWTCLSMH-UHFFFAOYSA-N 0 3 237.303 0.736 20 0 BCADHN O=C(CN1CCC[C@@H](O)CC1)N1CCC1 ZINC000339788334 385031398 /nfs/dbraw/zinc/03/13/98/385031398.db2.gz UUSQRXSZKWXPJC-SNVBAGLBSA-N 0 3 212.293 0.066 20 0 BCADHN CC[C@@H](C)CNCc1nnc2n1CCOC2 ZINC000377305608 385035616 /nfs/dbraw/zinc/03/56/16/385035616.db2.gz SCMQCRMZJNMTMN-SECBINFHSA-N 0 3 224.308 0.944 20 0 BCADHN CC[C@@H](NCCc1ncn(C)n1)c1cnn(C)c1 ZINC000358378030 385038421 /nfs/dbraw/zinc/03/84/21/385038421.db2.gz JNXWLEUPNRTGIB-LLVKDONJSA-N 0 3 248.334 0.832 20 0 BCADHN CC[C@H](O)CCNC(=O)CN(C)C(C)C ZINC000305078460 385039409 /nfs/dbraw/zinc/03/94/09/385039409.db2.gz PAVUJJZVAOOLGF-JTQLQIEISA-N 0 3 216.325 0.604 20 0 BCADHN CC[C@]1(C)C[C@@H]1C(=O)NCCNCCOC ZINC000152277443 385041299 /nfs/dbraw/zinc/04/12/99/385041299.db2.gz ARZMXXKZGCNXHA-ZYHUDNBSSA-N 0 3 228.336 0.775 20 0 BCADHN COC[C@@H](C)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000019802736 385083344 /nfs/dbraw/zinc/08/33/44/385083344.db2.gz RCDXEJPNKAXRRW-PWSUYJOCSA-N 0 3 236.315 0.708 20 0 BCADHN CCC[C@H](NC(C)C)C(=O)Nc1nc[nH]n1 ZINC000310020736 385046036 /nfs/dbraw/zinc/04/60/36/385046036.db2.gz NETPZBCLILYFGJ-QMMMGPOBSA-N 0 3 225.296 0.910 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000557664284 385085156 /nfs/dbraw/zinc/08/51/56/385085156.db2.gz QGXWBVDOXGMJHI-DGCLKSJQSA-N 0 3 240.347 0.702 20 0 BCADHN CCOCC[C@@H](O)CNCc1cc(C)nn1C ZINC000644642311 385047260 /nfs/dbraw/zinc/04/72/60/385047260.db2.gz FFJOGFAEXZCSNE-GFCCVEGCSA-N 0 3 241.335 0.606 20 0 BCADHN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H](CN)OC ZINC000227418498 385141802 /nfs/dbraw/zinc/14/18/02/385141802.db2.gz OSYOCYBDTRNYQF-IVZWLZJFSA-N 0 3 246.376 0.751 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@@H](C)C[C@@H]1C ZINC000227408723 385141872 /nfs/dbraw/zinc/14/18/72/385141872.db2.gz FKAPPLLJVTVNNM-XHNCKOQMSA-N 0 3 200.282 0.217 20 0 BCADHN O=S1(=O)CC[C@@H](N[C@@H]2CCCSC2)C1 ZINC000061570669 385122244 /nfs/dbraw/zinc/12/22/44/385122244.db2.gz VHEPZQHLGURXRM-RKDXNWHRSA-N 0 3 235.374 0.659 20 0 BCADHN O=S1(=O)CC[C@H](N[C@H]2CCCSC2)C1 ZINC000061570672 385122275 /nfs/dbraw/zinc/12/22/75/385122275.db2.gz VHEPZQHLGURXRM-IUCAKERBSA-N 0 3 235.374 0.659 20 0 BCADHN CCN(CCn1ccccc1=O)[C@H](C)CO ZINC000644706166 385124730 /nfs/dbraw/zinc/12/47/30/385124730.db2.gz YYHIDSMCROQVFR-LLVKDONJSA-N 0 3 224.304 0.551 20 0 BCADHN NC[C@H](C(=O)NC[C@@H]1CCOC1)c1ccccc1 ZINC000061611870 385125868 /nfs/dbraw/zinc/12/58/68/385125868.db2.gz RGFDMFTUYXGYOS-AAEUAGOBSA-N 0 3 248.326 0.882 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)c1cccc(C)c1 ZINC000227379912 385126259 /nfs/dbraw/zinc/12/62/59/385126259.db2.gz PKRNBNJLXYZBJT-NSHDSACASA-N 0 3 222.288 0.932 20 0 BCADHN CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H](CN)OC ZINC000227418512 385142189 /nfs/dbraw/zinc/14/21/89/385142189.db2.gz OSYOCYBDTRNYQF-OPRDCNLKSA-N 0 3 246.376 0.751 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1ccccc1 ZINC000227342356 385130178 /nfs/dbraw/zinc/13/01/78/385130178.db2.gz CVRZSLFCJHPQTK-JTQLQIEISA-N 0 3 208.261 0.277 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000227350694 385130415 /nfs/dbraw/zinc/13/04/15/385130415.db2.gz FOHUHOONYLUFRG-VXGBXAGGSA-N 0 3 249.314 0.719 20 0 BCADHN NC(=O)c1cccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000644715405 385132851 /nfs/dbraw/zinc/13/28/51/385132851.db2.gz RWWYOZVWMRXQDC-ITGUQSILSA-N 0 3 246.310 0.456 20 0 BCADHN C[C@](O)(CN1CC[C@H](O)C1)c1ccccc1 ZINC000061708076 385134445 /nfs/dbraw/zinc/13/44/45/385134445.db2.gz ZMDIPJXYEDSQKR-STQMWFEESA-N 0 3 221.300 0.961 20 0 BCADHN CO[C@H](CN)C(=O)NCC1CCC(C)CC1 ZINC000227383327 385134679 /nfs/dbraw/zinc/13/46/79/385134679.db2.gz QRBPSNSDODYHSD-VQXHTEKXSA-N 0 3 228.336 0.903 20 0 BCADHN CO[C@@H](CN)C(=O)NCC1CCC(C)CC1 ZINC000227383321 385134859 /nfs/dbraw/zinc/13/48/59/385134859.db2.gz QRBPSNSDODYHSD-ILDUYXDCSA-N 0 3 228.336 0.903 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000227386224 385134915 /nfs/dbraw/zinc/13/49/15/385134915.db2.gz ODBBQLKCLQAWBQ-HTQZYQBOSA-N 0 3 243.332 0.602 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCOC1 ZINC000088722042 385137856 /nfs/dbraw/zinc/13/78/56/385137856.db2.gz HSEPWTJYFZVWPZ-IUCAKERBSA-N 0 3 221.322 0.188 20 0 BCADHN CS(=O)(=O)NCCN1CC[C@H]2CCC[C@@H]21 ZINC000336346022 385138974 /nfs/dbraw/zinc/13/89/74/385138974.db2.gz BOIGUNMSOPLROA-ZJUUUORDSA-N 0 3 232.349 0.410 20 0 BCADHN CO[C@@H](CN)C(=O)NC(C)(C)c1nccs1 ZINC000227419269 385140069 /nfs/dbraw/zinc/14/00/69/385140069.db2.gz INXXXCHZEIYNMQ-ZETCQYMHSA-N 0 3 243.332 0.468 20 0 BCADHN c1cnc(N2CCN(C3CCOCC3)CC2)cn1 ZINC000176742490 385140534 /nfs/dbraw/zinc/14/05/34/385140534.db2.gz KJTRDIXFLRKCRB-UHFFFAOYSA-N 0 3 248.330 0.778 20 0 BCADHN CNC(=O)CCCN1CCN(C(C)C)CC1 ZINC000559638885 385097268 /nfs/dbraw/zinc/09/72/68/385097268.db2.gz YGQGGSWVDGWUFN-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN CC[C@H]1CN(CC(=O)N(CC)CC)C[C@H]1O ZINC000341020336 385103620 /nfs/dbraw/zinc/10/36/20/385103620.db2.gz RBSWEYXMRFMLTM-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H](F)CCN1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000334154626 385103754 /nfs/dbraw/zinc/10/37/54/385103754.db2.gz SCMNJQPVWLDMMJ-GZMMTYOYSA-N 0 3 243.282 0.361 20 0 BCADHN CO[C@@H]1CN([C@@H]2COC[C@H]2O)CC[C@H]1C ZINC000308788784 385104751 /nfs/dbraw/zinc/10/47/51/385104751.db2.gz HNBDFQSXWBYRAP-GWOFURMSSA-N 0 3 215.293 0.103 20 0 BCADHN O=C1CNC(=O)N1CCCN1C[C@@H]2CCC[C@H]21 ZINC000407950068 385105375 /nfs/dbraw/zinc/10/53/75/385105375.db2.gz UGRNPVVGBPTPMO-VHSXEESVSA-N 0 3 237.303 0.413 20 0 BCADHN OC1(CN2CCC[C@H](n3cncn3)C2)CCC1 ZINC000407950074 385107395 /nfs/dbraw/zinc/10/73/95/385107395.db2.gz ULNKHXGMRQYIRS-NSHDSACASA-N 0 3 236.319 0.830 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CCNC(C)(C)C1 ZINC000308814309 385181520 /nfs/dbraw/zinc/18/15/20/385181520.db2.gz AEQMDGZLFPFXKK-VIFPVBQESA-N 0 3 214.309 0.214 20 0 BCADHN Cc1ncc(CN2CC[C@@H]3CN(C)C[C@@H]32)cn1 ZINC000644728097 385184954 /nfs/dbraw/zinc/18/49/54/385184954.db2.gz ATQLPHHEDDULHU-OLZOCXBDSA-N 0 3 232.331 0.921 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)c1cccs1 ZINC000152498581 385189098 /nfs/dbraw/zinc/18/90/98/385189098.db2.gz GRVUVFMMHQWSMK-LLVKDONJSA-N 0 3 242.344 0.791 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCn1ccnc1 ZINC000162218143 385189345 /nfs/dbraw/zinc/18/93/45/385189345.db2.gz RZYSWQFJONOPTB-SNVBAGLBSA-N 0 3 245.348 0.296 20 0 BCADHN N[C@H](CNC(=O)[C@@H]1CCOC1)c1ccccc1 ZINC000062837809 385189565 /nfs/dbraw/zinc/18/95/65/385189565.db2.gz XLBJIFMPNWTRNO-VXGBXAGGSA-N 0 3 234.299 0.839 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644728495 385192194 /nfs/dbraw/zinc/19/21/94/385192194.db2.gz IDJQRQJNPZVDDV-WDEREUQCSA-N 0 3 225.336 0.147 20 0 BCADHN CCCCNC(=O)CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000644728802 385195632 /nfs/dbraw/zinc/19/56/32/385195632.db2.gz JPDMFROUQOUFEL-RYUDHWBXSA-N 0 3 239.363 0.539 20 0 BCADHN CCCCNC(=O)CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644728801 385195710 /nfs/dbraw/zinc/19/57/10/385195710.db2.gz JPDMFROUQOUFEL-NWDGAFQWSA-N 0 3 239.363 0.539 20 0 BCADHN CCc1ocnc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058089 385198224 /nfs/dbraw/zinc/19/82/24/385198224.db2.gz MGFQZMMZJJALEC-YUMQZZPRSA-N 0 3 241.266 0.667 20 0 BCADHN Cc1nnsc1CNCCc1cncn1C ZINC000401654568 385147473 /nfs/dbraw/zinc/14/74/73/385147473.db2.gz SIQKMPDUFFOFPP-UHFFFAOYSA-N 0 3 237.332 0.912 20 0 BCADHN CS(=O)(=O)N1CCCN(C2CCCC2)CC1 ZINC000336352907 385150236 /nfs/dbraw/zinc/15/02/36/385150236.db2.gz YSIVTGIGKRTJLJ-UHFFFAOYSA-N 0 3 246.376 0.896 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H]1CC12CC2 ZINC000424312917 385158011 /nfs/dbraw/zinc/15/80/11/385158011.db2.gz ACOHSUUELLJFSN-BDAKNGLRSA-N 0 3 217.334 0.952 20 0 BCADHN Cc1nocc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000402706067 385158945 /nfs/dbraw/zinc/15/89/45/385158945.db2.gz CORYLGMPVYBKHO-SFYZADRCSA-N 0 3 223.276 0.805 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CC12CC2 ZINC000424312919 385159151 /nfs/dbraw/zinc/15/91/51/385159151.db2.gz ACOHSUUELLJFSN-DTWKUNHWSA-N 0 3 217.334 0.952 20 0 BCADHN CN(C)CCN(C)C(=O)NC[C@H]1CCSC1 ZINC000448248773 385162421 /nfs/dbraw/zinc/16/24/21/385162421.db2.gz LGIPAKBPDOJPCN-SNVBAGLBSA-N 0 3 245.392 0.943 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CC23CC3)[C@H](C)CN1 ZINC000422633320 385164651 /nfs/dbraw/zinc/16/46/51/385164651.db2.gz OFTFQQYDYAXCBM-OPRDCNLKSA-N 0 3 208.305 0.995 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc(=O)[nH]c1 ZINC000647057975 385200797 /nfs/dbraw/zinc/20/07/97/385200797.db2.gz FLMVYXBFZVEDQV-IUCAKERBSA-N 0 3 239.250 0.217 20 0 BCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)CN ZINC000165643561 385168275 /nfs/dbraw/zinc/16/82/75/385168275.db2.gz SKWSRGYEOILFFG-GFCCVEGCSA-N 0 3 235.331 0.234 20 0 BCADHN NC(=O)[C@H]1CCCN1CC[C@H]1CCOC1 ZINC000408414585 385168704 /nfs/dbraw/zinc/16/87/04/385168704.db2.gz LFGPEWNLTKNCHH-VHSXEESVSA-N 0 3 212.293 0.363 20 0 BCADHN CN1CC[C@]2(CCN(C(=O)c3cnco3)C2)C1 ZINC000647034729 385169292 /nfs/dbraw/zinc/16/92/92/385169292.db2.gz NXVWBQLZFAXYAC-LBPRGKRZSA-N 0 3 235.287 0.842 20 0 BCADHN CN1CC[C@@]2(CCN(C(=O)c3cnco3)C2)C1 ZINC000647034728 385169427 /nfs/dbraw/zinc/16/94/27/385169427.db2.gz NXVWBQLZFAXYAC-GFCCVEGCSA-N 0 3 235.287 0.842 20 0 BCADHN CN1CC[C@@]2(CCN(C(=O)c3ccn(C)n3)C2)C1 ZINC000647035273 385169939 /nfs/dbraw/zinc/16/99/39/385169939.db2.gz SQPAVQFKOJWSNJ-CYBMUJFWSA-N 0 3 248.330 0.588 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cnn2ccccc12 ZINC000157408760 385170662 /nfs/dbraw/zinc/17/06/62/385170662.db2.gz PLJGPBYZHFCBRV-VIFPVBQESA-N 0 3 232.287 0.688 20 0 BCADHN CO[C@@H](CNC(=O)[C@@H](C)N)c1ccccc1 ZINC000152319289 385173097 /nfs/dbraw/zinc/17/30/97/385173097.db2.gz XPVDMIIBBRRGAN-KOLCDFICSA-N 0 3 222.288 0.838 20 0 BCADHN CO[C@@H]1CN(C[C@@H](O)COC(C)C)C[C@H]1OC ZINC000300036984 385174826 /nfs/dbraw/zinc/17/48/26/385174826.db2.gz BTEPZKIDICJIIC-IJLUTSLNSA-N 0 3 247.335 0.118 20 0 BCADHN O=C(CN1CC[C@H](O)C12CCCC2)N1CCC1 ZINC000336365249 385180552 /nfs/dbraw/zinc/18/05/52/385180552.db2.gz ULYRQWLEPPKXMS-NSHDSACASA-N 0 3 238.331 0.598 20 0 BCADHN CN(CCNC(=O)c1ccn(C)c(=O)c1)C1CC1 ZINC000063117180 385210370 /nfs/dbraw/zinc/21/03/70/385210370.db2.gz HLVNTNAXOJLMJJ-UHFFFAOYSA-N 0 3 249.314 0.209 20 0 BCADHN CC(C)NC(=O)CN[C@H]1COCC1(C)C ZINC000313028564 385210615 /nfs/dbraw/zinc/21/06/15/385210615.db2.gz HCFXHLUAPGNHHX-VIFPVBQESA-N 0 3 214.309 0.526 20 0 BCADHN Cn1nccc1NC(=O)CNCC1CC1 ZINC000044593728 385211136 /nfs/dbraw/zinc/21/11/36/385211136.db2.gz RORBFBWCIZCBKT-UHFFFAOYSA-N 0 3 208.265 0.358 20 0 BCADHN CCc1nc(CN2CCN(C)CC2)n[nH]1 ZINC000157561279 385217442 /nfs/dbraw/zinc/21/74/42/385217442.db2.gz ISPDRGHHZPFRNL-UHFFFAOYSA-N 0 3 209.297 0.115 20 0 BCADHN CCC[C@H](C)CN1CCOC[C@H]1CC(N)=O ZINC000449779060 385219644 /nfs/dbraw/zinc/21/96/44/385219644.db2.gz XDWWCPIDFRYKKE-WDEREUQCSA-N 0 3 228.336 0.999 20 0 BCADHN CC(C(=O)Nc1ccc(=O)[nH]c1)S(C)(=O)=O ZINC000291113400 385222421 /nfs/dbraw/zinc/22/24/21/385222421.db2.gz BZKCZPQMGXHNQR-LURJTMIESA-N 0 3 244.272 0.159 20 0 BCADHN O=C(CNC1CC1)N1CCOC[C@@H]1C1CC1 ZINC000238155765 385224159 /nfs/dbraw/zinc/22/41/59/385224159.db2.gz KHVXGJXANWIROS-LLVKDONJSA-N 0 3 224.304 0.376 20 0 BCADHN CCOCCOCCN(C)CCn1ccnc1 ZINC000190258481 385225676 /nfs/dbraw/zinc/22/56/76/385225676.db2.gz YPLCGYREAMRZFB-UHFFFAOYSA-N 0 3 241.335 0.868 20 0 BCADHN CN(CCOCCO)C[C@H]1CCC(C)(C)O1 ZINC000301016071 385228946 /nfs/dbraw/zinc/22/89/46/385228946.db2.gz IGMRXQNVFGISSH-LLVKDONJSA-N 0 3 231.336 0.885 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)c1ccncc1 ZINC000152986432 385229842 /nfs/dbraw/zinc/22/98/42/385229842.db2.gz WEXDGRDTIHVKMR-GFCCVEGCSA-N 0 3 237.303 0.124 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC[C@@H](O)c1ccccc1 ZINC000294845641 385257166 /nfs/dbraw/zinc/25/71/66/385257166.db2.gz ULONITIYZLRSTK-GXFFZTMASA-N 0 3 248.326 0.977 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](C)c1nncn1C ZINC000037622199 385233112 /nfs/dbraw/zinc/23/31/12/385233112.db2.gz YATNQBTYELEULV-LDYMZIIASA-N 0 3 239.323 0.510 20 0 BCADHN Cc1cscc1C(=O)NC[C@H]1CNCCO1 ZINC000227785112 385233570 /nfs/dbraw/zinc/23/35/70/385233570.db2.gz UJQLRQBSIOCSID-SECBINFHSA-N 0 3 240.328 0.775 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCCC[C@H](CO)C1 ZINC000370908838 385257209 /nfs/dbraw/zinc/25/72/09/385257209.db2.gz IJEKPIQQZISOHZ-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN COCC[C@H](C)NCC(=O)NC(C)C ZINC000045019362 385236658 /nfs/dbraw/zinc/23/66/58/385236658.db2.gz AUHIHQMIUYQCJG-VIFPVBQESA-N 0 3 202.298 0.526 20 0 BCADHN COCC(=O)NCc1ccc2c(c1)CNC2 ZINC000157638530 385237600 /nfs/dbraw/zinc/23/76/00/385237600.db2.gz BFOJFESJYWBSAA-UHFFFAOYSA-N 0 3 220.272 0.552 20 0 BCADHN CC(C)n1ncnc1CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644729743 385237754 /nfs/dbraw/zinc/23/77/54/385237754.db2.gz NPXKMOXELQCWFV-NWDGAFQWSA-N 0 3 249.362 0.995 20 0 BCADHN O=C(NC1CC[NH+](C2CC2)CC1)c1cnn[n-]1 ZINC000108453134 385238001 /nfs/dbraw/zinc/23/80/01/385238001.db2.gz KEXNQVXNKIPMFB-UHFFFAOYSA-N 0 3 235.291 0.161 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)C=C1CCC1 ZINC000153494011 385257395 /nfs/dbraw/zinc/25/73/95/385257395.db2.gz WKMQHDUQWCLQLO-GFCCVEGCSA-N 0 3 226.320 0.526 20 0 BCADHN CC[N@H+](CC(=O)N[C@@H](C)c1nnc[n-]1)C1CC1 ZINC000153179950 385240066 /nfs/dbraw/zinc/24/00/66/385240066.db2.gz XIJZSAGIAZAZOQ-QMMMGPOBSA-N 0 3 237.307 0.466 20 0 BCADHN CC[N@@H+](CC(=O)N[C@@H](C)c1nnc[n-]1)C1CC1 ZINC000153179950 385240071 /nfs/dbraw/zinc/24/00/71/385240071.db2.gz XIJZSAGIAZAZOQ-QMMMGPOBSA-N 0 3 237.307 0.466 20 0 BCADHN CCN(CC(=O)N[C@@H](C)c1nc[nH]n1)C1CC1 ZINC000153179950 385240074 /nfs/dbraw/zinc/24/00/74/385240074.db2.gz XIJZSAGIAZAZOQ-QMMMGPOBSA-N 0 3 237.307 0.466 20 0 BCADHN C[C@@H](CN(C)C)NCc1cc(C(N)=O)cs1 ZINC000130337334 385241082 /nfs/dbraw/zinc/24/10/82/385241082.db2.gz ZGOMENPICCMAMH-QMMMGPOBSA-N 0 3 241.360 0.887 20 0 BCADHN CCNC(=O)C(C)(C)NCCc1ccnn1C ZINC000313046577 385242522 /nfs/dbraw/zinc/24/25/22/385242522.db2.gz OCXDVJHVLLDWRZ-UHFFFAOYSA-N 0 3 238.335 0.467 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)C1CC=CC1 ZINC000153249475 385243227 /nfs/dbraw/zinc/24/32/27/385243227.db2.gz XZPZKXNHRMPYBI-GFCCVEGCSA-N 0 3 226.320 0.381 20 0 BCADHN C[C@H](C(=O)NC[C@H]1CNCCO1)c1cccnc1 ZINC000647086604 385250210 /nfs/dbraw/zinc/25/02/10/385250210.db2.gz LGTVYFRMFKWALS-CMPLNLGQSA-N 0 3 249.314 0.290 20 0 BCADHN C[C@@H](C[NH+](C)C)NC(=O)c1cncc([O-])c1 ZINC000130523896 385258002 /nfs/dbraw/zinc/25/80/02/385258002.db2.gz QLDOKWLITJGVML-QMMMGPOBSA-N 0 3 223.276 0.467 20 0 BCADHN CC(C)c1nc(S(=O)(=O)[N-][C@H](C)C[NH3+])c[nH]1 ZINC000647250132 385253072 /nfs/dbraw/zinc/25/30/72/385253072.db2.gz FMECRDLJQACMOG-SSDOTTSWSA-N 0 3 246.336 0.159 20 0 BCADHN C[C@H]1OCC[C@]1(O)CNCc1cncn1C ZINC000227978126 385303157 /nfs/dbraw/zinc/30/31/57/385303157.db2.gz XHODJZGYPWTYOL-KOLCDFICSA-N 0 3 225.292 0.050 20 0 BCADHN Cc1csc(=O)n1CCN1CC[C@@](C)(O)C1 ZINC000177991082 385316225 /nfs/dbraw/zinc/31/62/25/385316225.db2.gz ZUHSPCHAMVHLLL-LLVKDONJSA-N 0 3 242.344 0.675 20 0 BCADHN COCC[C@H](C)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000167453111 385316775 /nfs/dbraw/zinc/31/67/75/385316775.db2.gz QVLWFFTVTHCHKU-VWYCJHECSA-N 0 3 228.336 0.916 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC000154329057 385317691 /nfs/dbraw/zinc/31/76/91/385317691.db2.gz MRLTWQGRWQZUFB-MNOVXSKESA-N 0 3 230.352 0.850 20 0 BCADHN CC(C)(C)CCNC(=O)C[C@H]1CNCCO1 ZINC000157954734 385318270 /nfs/dbraw/zinc/31/82/70/385318270.db2.gz PRQAFJXRXROUOE-JTQLQIEISA-N 0 3 228.336 0.917 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)[nH]n1 ZINC000272598811 385319886 /nfs/dbraw/zinc/31/98/86/385319886.db2.gz YGTVGZCLOXWYAG-CMPLNLGQSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)n[nH]1 ZINC000272598811 385319889 /nfs/dbraw/zinc/31/98/89/385319889.db2.gz YGTVGZCLOXWYAG-CMPLNLGQSA-N 0 3 248.330 0.884 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N(C)[C@@H](C)CC ZINC000178736321 385320308 /nfs/dbraw/zinc/32/03/08/385320308.db2.gz AZEOMTGFMPXBKW-IUCAKERBSA-N 0 3 229.324 0.951 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000157992019 385321302 /nfs/dbraw/zinc/32/13/02/385321302.db2.gz LRLSGTIADMJPOK-QEYWKRMJSA-N 0 3 224.304 0.407 20 0 BCADHN C[C@@H](O)CN(C)C[C@H](O)COc1ccccc1 ZINC000131241557 385321484 /nfs/dbraw/zinc/32/14/84/385321484.db2.gz ZUUZSDRDGMHXEB-NEPJUHHUSA-N 0 3 239.315 0.739 20 0 BCADHN C[C@@H](NC[C@@H](O)CN(C)C)c1ccccn1 ZINC000037889241 385321838 /nfs/dbraw/zinc/32/18/38/385321838.db2.gz ISDMZJWHMJCZGF-GHMZBOCLSA-N 0 3 223.320 0.655 20 0 BCADHN Cc1cnc(CN2CC[C@H]3CN(C)C[C@@H]32)nc1 ZINC000644731584 385258582 /nfs/dbraw/zinc/25/85/82/385258582.db2.gz GDDZOLBOZOURQI-RYUDHWBXSA-N 0 3 232.331 0.921 20 0 BCADHN C[C@@H](O)CN(Cc1ccccn1)[C@@H](C)CO ZINC000190843770 385263433 /nfs/dbraw/zinc/26/34/33/385263433.db2.gz VRMGTMYYYUMRIG-WDEREUQCSA-N 0 3 224.304 0.645 20 0 BCADHN C[C@H](N)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000153554841 385263860 /nfs/dbraw/zinc/26/38/60/385263860.db2.gz GERKNNQDDFYVRZ-JTQLQIEISA-N 0 3 249.314 0.108 20 0 BCADHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000177581911 385263897 /nfs/dbraw/zinc/26/38/97/385263897.db2.gz KPOWRBYOANMGCW-IUCAKERBSA-N 0 3 237.307 0.407 20 0 BCADHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000177581911 385263899 /nfs/dbraw/zinc/26/38/99/385263899.db2.gz KPOWRBYOANMGCW-IUCAKERBSA-N 0 3 237.307 0.407 20 0 BCADHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000177581911 385263902 /nfs/dbraw/zinc/26/39/02/385263902.db2.gz KPOWRBYOANMGCW-IUCAKERBSA-N 0 3 237.307 0.407 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000358513050 385265844 /nfs/dbraw/zinc/26/58/44/385265844.db2.gz YWRBGQPYSWNXRI-MXWKQRLJSA-N 0 3 243.351 0.349 20 0 BCADHN CC(C)N(C)CCNS(=O)(=O)N1CCCC1 ZINC000408437626 385275095 /nfs/dbraw/zinc/27/50/95/385275095.db2.gz BMOJGGQSZSWQER-UHFFFAOYSA-N 0 3 249.380 0.257 20 0 BCADHN CCCCCNC(=O)[C@@]1(F)CCNC1 ZINC000308905540 385277068 /nfs/dbraw/zinc/27/70/68/385277068.db2.gz MZXWBNFQHWKLCJ-SNVBAGLBSA-N 0 3 202.273 0.994 20 0 BCADHN N[C@@H](Cc1ccccc1)C(=O)NCC(F)F ZINC000130725677 385279972 /nfs/dbraw/zinc/27/99/72/385279972.db2.gz DVBQVXPSWDYYBJ-VIFPVBQESA-N 0 3 228.242 0.938 20 0 BCADHN CN(C)C/C=C/C(=O)NCc1ccccc1CO ZINC000492161499 385280305 /nfs/dbraw/zinc/28/03/05/385280305.db2.gz QYRPLZCWEYBQHQ-VMPITWQZSA-N 0 3 248.326 0.913 20 0 BCADHN OCC[C@H]1CCCN1CCn1cncn1 ZINC000308915663 385282754 /nfs/dbraw/zinc/28/27/54/385282754.db2.gz XVRPVNCPOLPTHT-SNVBAGLBSA-N 0 3 210.281 0.125 20 0 BCADHN Cn1nncc1CNCC1CC(F)(F)C1 ZINC000308909353 385283527 /nfs/dbraw/zinc/28/35/27/385283527.db2.gz FOIGJAHTCHZGKN-UHFFFAOYSA-N 0 3 216.235 0.950 20 0 BCADHN O=C(CN1CCC[C@H]1CCO)NC1CC1 ZINC000308908101 385283747 /nfs/dbraw/zinc/28/37/47/385283747.db2.gz VZYGTJJGACDSPO-JTQLQIEISA-N 0 3 212.293 0.112 20 0 BCADHN C[C@@H](O)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000558026581 385287245 /nfs/dbraw/zinc/28/72/45/385287245.db2.gz SYSDIJFNDYGEFE-IRCOFANPSA-N 0 3 240.347 0.556 20 0 BCADHN CN(C)CCNC(=O)CCc1ccncn1 ZINC000191137571 385287322 /nfs/dbraw/zinc/28/73/22/385287322.db2.gz YLMYEHJDTWBBPM-UHFFFAOYSA-N 0 3 222.292 0.087 20 0 BCADHN Cc1cnn(CCN(CCO)C2CC2)c1 ZINC000308929530 385289858 /nfs/dbraw/zinc/28/98/58/385289858.db2.gz NHLADWDEZRQLBG-UHFFFAOYSA-N 0 3 209.293 0.648 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@H](C)[C@@H]1CO ZINC000191186855 385290824 /nfs/dbraw/zinc/29/08/24/385290824.db2.gz SQRKKWHGEAOHBX-KCJUWKMLSA-N 0 3 209.293 0.921 20 0 BCADHN CN1C[C@@H]2CCN(C[C@@H](O)C(F)(F)F)[C@@H]2C1 ZINC000644732569 385291721 /nfs/dbraw/zinc/29/17/21/385291721.db2.gz LKASCROGEMBLIU-DJLDLDEBSA-N 0 3 238.253 0.546 20 0 BCADHN COC[C@@H](C)NCC1(S(C)(=O)=O)CCC1 ZINC000308920485 385291748 /nfs/dbraw/zinc/29/17/48/385291748.db2.gz GXUNYZIWWGFHIY-SECBINFHSA-N 0 3 235.349 0.578 20 0 BCADHN COC[C@H](CO)NC1CC(OC(C)C)C1 ZINC000308922889 385295013 /nfs/dbraw/zinc/29/50/13/385295013.db2.gz HMCPMXUVUJCYES-YVNMAJEFSA-N 0 3 217.309 0.539 20 0 BCADHN CN(C)C/C=C\C(=O)NCC(C)(C)CCO ZINC000492182672 385296781 /nfs/dbraw/zinc/29/67/81/385296781.db2.gz BOUPVCBSANDOHW-WAYWQWQTSA-N 0 3 228.336 0.629 20 0 BCADHN CO[C@@H]1C[C@H](N[C@@H]2CCNC2=O)C1(C)C ZINC000308943518 385299525 /nfs/dbraw/zinc/29/95/25/385299525.db2.gz MXNPJRVEPZPSQQ-HRDYMLBCSA-N 0 3 212.293 0.278 20 0 BCADHN COC(=O)C(C)(C)CCN[C@H](C)C(N)=O ZINC000308945007 385300902 /nfs/dbraw/zinc/30/09/02/385300902.db2.gz NLAHNEWMVMYSTE-SSDOTTSWSA-N 0 3 216.281 0.039 20 0 BCADHN CN(C)CCNC(=O)c1ncc(F)cc1F ZINC000191850791 385329104 /nfs/dbraw/zinc/32/91/04/385329104.db2.gz XTPIRXCUZGQAHN-UHFFFAOYSA-N 0 3 229.230 0.651 20 0 BCADHN CCS(=O)(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000364288571 385329782 /nfs/dbraw/zinc/32/97/82/385329782.db2.gz FOLXCJZUPLVBOL-ZJUUUORDSA-N 0 3 232.349 0.362 20 0 BCADHN C[C@@H](N[C@H]1CCSC1)c1ccc(=O)[nH]n1 ZINC000308999009 385332271 /nfs/dbraw/zinc/33/22/71/385332271.db2.gz NKBVLGQLYZHUOU-SFYZADRCSA-N 0 3 225.317 0.926 20 0 BCADHN CC[C@H](N)C(=O)NCc1ncc(C)s1 ZINC000178824704 385332874 /nfs/dbraw/zinc/33/28/74/385332874.db2.gz PMUBPGKTMVNFIP-ZETCQYMHSA-N 0 3 213.306 0.805 20 0 BCADHN C[C@@H](CNC(=O)c1ccnnc1)N(C)C1CC1 ZINC000131445138 385334248 /nfs/dbraw/zinc/33/42/48/385334248.db2.gz HPPHOIZFSRENQC-VIFPVBQESA-N 0 3 234.303 0.689 20 0 BCADHN CC1(C)CC[C@@H](CN2CCC[C@@](O)(CO)C2)O1 ZINC000313679575 385334927 /nfs/dbraw/zinc/33/49/27/385334927.db2.gz XFOUEVCSEBVGHS-AAEUAGOBSA-N 0 3 243.347 0.763 20 0 BCADHN COCCN(C)CCNC(=O)N[C@@H]1CC12CC2 ZINC000425439477 385336026 /nfs/dbraw/zinc/33/60/26/385336026.db2.gz FEOXOPWIHQPLPD-SNVBAGLBSA-N 0 3 241.335 0.416 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000643979051 385341910 /nfs/dbraw/zinc/34/19/10/385341910.db2.gz VIMZGRSWUMKCFO-NEPJUHHUSA-N 0 3 240.347 0.604 20 0 BCADHN C[C@@H](CNC(=O)CNC[C@@H]1CCCO1)C1CC1 ZINC000643982503 385348103 /nfs/dbraw/zinc/34/81/03/385348103.db2.gz NNSQRXOADLERCD-JQWIXIFHSA-N 0 3 240.347 0.917 20 0 BCADHN CC(C)C(=O)N[C@@H]1CCCN(CC(C)(C)O)C1 ZINC000303990714 385348128 /nfs/dbraw/zinc/34/81/28/385348128.db2.gz LJXNROYMYIEFHJ-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000131630439 385348849 /nfs/dbraw/zinc/34/88/49/385348849.db2.gz JLCMMZXAGMLXMW-VIFPVBQESA-N 0 3 236.319 0.507 20 0 BCADHN O=C(NC[C@@H]1CCCO1)[C@@H]1CNCCC1(F)F ZINC000643984068 385350627 /nfs/dbraw/zinc/35/06/27/385350627.db2.gz RHYNCHSEZGSRQR-IUCAKERBSA-N 0 3 248.273 0.526 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000644735268 385352568 /nfs/dbraw/zinc/35/25/68/385352568.db2.gz UUVUFKUJDFWUHY-VXGBXAGGSA-N 0 3 239.363 0.491 20 0 BCADHN Cn1ccc(CN2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000644734070 385354363 /nfs/dbraw/zinc/35/43/63/385354363.db2.gz QZLLGXRPLMEDOE-PWSUYJOCSA-N 0 3 220.320 0.556 20 0 BCADHN Cc1nnc(CN2CC[C@@H]3CN(C)C[C@H]32)s1 ZINC000644734409 385355042 /nfs/dbraw/zinc/35/50/42/385355042.db2.gz NJEFQSZCZCEHHA-NXEZZACHSA-N 0 3 238.360 0.982 20 0 BCADHN CCCNC(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000644734684 385357272 /nfs/dbraw/zinc/35/72/72/385357272.db2.gz SVSNPGBZUVMXRO-GHMZBOCLSA-N 0 3 225.336 0.149 20 0 BCADHN C[C@H](CC1CC1)NC(=O)[C@]1(F)CCNC1 ZINC000158179065 385358330 /nfs/dbraw/zinc/35/83/30/385358330.db2.gz JFFFETALXPZNGP-KCJUWKMLSA-N 0 3 214.284 0.993 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000492309121 385359116 /nfs/dbraw/zinc/35/91/16/385359116.db2.gz BIGSNSBAJURLRS-ZMQQHQCJSA-N 0 3 238.331 0.788 20 0 BCADHN CC[C@@H](COC)NC[C@H](O)c1cnn(C)c1 ZINC000168290706 385360788 /nfs/dbraw/zinc/36/07/88/385360788.db2.gz ZODLICVZFFZNFU-QWRGUYRKSA-N 0 3 227.308 0.468 20 0 BCADHN CO[C@H](C)[C@H](C)NC[C@H](O)c1cnn(C)c1 ZINC000168288917 385361076 /nfs/dbraw/zinc/36/10/76/385361076.db2.gz FCUQQCCORDNLEB-NGZCFLSTSA-N 0 3 227.308 0.467 20 0 BCADHN COCC[C@@](C)(O)CN[C@H](C)c1cnn(C)c1 ZINC000178374811 385361204 /nfs/dbraw/zinc/36/12/04/385361204.db2.gz QOUPDWDZAMIINJ-ZYHUDNBSSA-N 0 3 241.335 0.858 20 0 BCADHN C[C@H](O)CCN(C)[C@@H]1CCCCNC1=O ZINC000120589161 385363348 /nfs/dbraw/zinc/36/33/48/385363348.db2.gz PAJXJNUTVBWYPJ-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN Cc1cnc(CNC[C@H](C)N(C)C)n1C ZINC000309014082 385369215 /nfs/dbraw/zinc/36/92/15/385369215.db2.gz SXYOOVRPWQASMQ-VIFPVBQESA-N 0 3 210.325 0.768 20 0 BCADHN C[C@H](NC(=O)CC1CCN(C)CC1)C(C)(C)O ZINC000644007442 385369642 /nfs/dbraw/zinc/36/96/42/385369642.db2.gz AQHDRSAXRMZAEZ-JTQLQIEISA-N 0 3 242.363 0.994 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N[C@@H]1CCOC1 ZINC000179251684 385373022 /nfs/dbraw/zinc/37/30/22/385373022.db2.gz JLWNNFHXGNOQHQ-ZJUUUORDSA-N 0 3 227.308 0.169 20 0 BCADHN C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1ccco1 ZINC000309021437 385374483 /nfs/dbraw/zinc/37/44/83/385374483.db2.gz XIBOEENKBSYZBI-SSDOTTSWSA-N 0 3 218.278 0.295 20 0 BCADHN O=C1OCC[C@@H]2CCN(C[C@H]3CCOC3)[C@H]12 ZINC000364347740 385376536 /nfs/dbraw/zinc/37/65/36/385376536.db2.gz PCPYFHUCUDGTGQ-VWYCJHECSA-N 0 3 225.288 0.660 20 0 BCADHN CC(=O)CCC(=O)N(C)C[C@H]1CCCN1C ZINC000309032745 385380756 /nfs/dbraw/zinc/38/07/56/385380756.db2.gz FXFXGXRCKHLAAE-LLVKDONJSA-N 0 3 226.320 0.908 20 0 BCADHN C[C@@H]1OCC[C@H]1NC(=O)[C@@H](N)CC(F)F ZINC000309035089 385382691 /nfs/dbraw/zinc/38/26/91/385382691.db2.gz FLKPTSKDGJRDRT-LYFYHCNISA-N 0 3 222.235 0.263 20 0 BCADHN C[C@@H](CN(C)C)NCc1cccc(C(N)=O)c1 ZINC000168774830 385384624 /nfs/dbraw/zinc/38/46/24/385384624.db2.gz GJWUTHUYPYQMOU-JTQLQIEISA-N 0 3 235.331 0.825 20 0 BCADHN CCN(C)C(=O)CN[C@H](CO)C(C)(C)C ZINC000309063505 385391075 /nfs/dbraw/zinc/39/10/75/385391075.db2.gz YATXJLQICVMSAJ-SECBINFHSA-N 0 3 216.325 0.461 20 0 BCADHN CO[C@H](C)[C@@H](C)NC(=O)N(C)CCN(C)C ZINC000360681094 385325505 /nfs/dbraw/zinc/32/55/05/385325505.db2.gz IFNIOISDFIAYJS-NXEZZACHSA-N 0 3 231.340 0.613 20 0 BCADHN Cc1n[nH]cc1CNC[C@@](C)(O)C1CC1 ZINC000308984338 385325451 /nfs/dbraw/zinc/32/54/51/385325451.db2.gz LKVDDMYXSPNCEJ-LLVKDONJSA-N 0 3 209.293 0.969 20 0 BCADHN CCOC[C@@H](O)CN(CC)[C@H]1CCOC1 ZINC000308983703 385326337 /nfs/dbraw/zinc/32/63/37/385326337.db2.gz FXUUULQBEMDUJG-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)no1 ZINC000262753184 385326820 /nfs/dbraw/zinc/32/68/20/385326820.db2.gz HAZPCXNHLWYMIO-IUCAKERBSA-N 0 3 223.276 0.805 20 0 BCADHN CCN(C)C(=O)CN[C@](C)(CO)C(C)C ZINC000308971900 385328285 /nfs/dbraw/zinc/32/82/85/385328285.db2.gz ADIIZXRCCQTSLO-LLVKDONJSA-N 0 3 216.325 0.461 20 0 BCADHN CC(=O)Nc1ccc(CCNC(=O)[C@H](C)N)cc1 ZINC000155963534 385424308 /nfs/dbraw/zinc/42/43/08/385424308.db2.gz UXMBAOXZXCNJRJ-VIFPVBQESA-N 0 3 249.314 0.651 20 0 BCADHN C[C@@H](CO)NC(=O)C1CCN(C2CC2)CC1 ZINC000194180017 385424624 /nfs/dbraw/zinc/42/46/24/385424624.db2.gz KOOHEKNNOROLSV-VIFPVBQESA-N 0 3 226.320 0.358 20 0 BCADHN Cc1cc(C)n(CCN2C[C@H](O)C[C@@H]2C)n1 ZINC000309058820 385395563 /nfs/dbraw/zinc/39/55/63/385395563.db2.gz GVUJYACVCQQKMB-CMPLNLGQSA-N 0 3 223.320 0.955 20 0 BCADHN CC(C(=O)N(C)CC(F)F)S(C)(=O)=O ZINC000408060582 385403792 /nfs/dbraw/zinc/40/37/92/385403792.db2.gz GZDCELJBZPBNSO-RXMQYKEDSA-N 0 3 229.248 0.143 20 0 BCADHN Cc1cn[nH]c1CNCCCS(C)(=O)=O ZINC000309075689 385404995 /nfs/dbraw/zinc/40/49/95/385404995.db2.gz KDFJJSYGQXGXRX-UHFFFAOYSA-N 0 3 231.321 0.242 20 0 BCADHN CN(CCOCC1CC1)C(=O)[C@H]1NCC1(C)C ZINC000644054742 385405972 /nfs/dbraw/zinc/40/59/72/385405972.db2.gz VBQWTBVYCXODGB-LLVKDONJSA-N 0 3 240.347 0.869 20 0 BCADHN Cc1cc(NC(=O)[C@H]2NCC2(C)C)n(C)n1 ZINC000644054644 385406172 /nfs/dbraw/zinc/40/61/72/385406172.db2.gz IYYIPAPPBOLLRI-SECBINFHSA-N 0 3 222.292 0.665 20 0 BCADHN Cc1cnn(C)c1CNC1CCOCC1 ZINC000309098118 385407939 /nfs/dbraw/zinc/40/79/39/385407939.db2.gz FQAAWGQKGSSETG-UHFFFAOYSA-N 0 3 209.293 0.997 20 0 BCADHN Cc1c[nH]nc1CNCC1(CCO)CC1 ZINC000309086989 385410647 /nfs/dbraw/zinc/41/06/47/385410647.db2.gz YYKFUNNHVRVBAW-UHFFFAOYSA-N 0 3 209.293 0.970 20 0 BCADHN CCS[C@@H]1CCC[C@@H]1NC(=O)CN ZINC000225554048 385411077 /nfs/dbraw/zinc/41/10/77/385411077.db2.gz GOYSRAYQXRCPLG-JGVFFNPUSA-N 0 3 202.323 0.736 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000307731877 385411549 /nfs/dbraw/zinc/41/15/49/385411549.db2.gz KTMCSDMFLHWPER-RYPBNFRJSA-N 0 3 200.282 0.276 20 0 BCADHN CSC1(CN[C@@H](C)CS(C)(=O)=O)CC1 ZINC000193830487 385414623 /nfs/dbraw/zinc/41/46/23/385414623.db2.gz RVGJHGDTVPZWLS-QMMMGPOBSA-N 0 3 237.390 0.905 20 0 BCADHN C[C@H](O)C[C@@H]1CCCCN1CC(=O)N1CCC1 ZINC000336711329 385417967 /nfs/dbraw/zinc/41/79/67/385417967.db2.gz PSKBHFGCTAEBTA-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)[C@H](C)N(C)C(=O)C(C)S(C)(=O)=O ZINC000408021807 385420730 /nfs/dbraw/zinc/42/07/30/385420730.db2.gz OSYAVNHPWDWKLM-DTWKUNHWSA-N 0 3 235.349 0.922 20 0 BCADHN CC[C@H](CO)NCc1c(C)nn(C)c1C ZINC000020195905 385422507 /nfs/dbraw/zinc/42/25/07/385422507.db2.gz DBRFXPVCRVSRLP-SNVBAGLBSA-N 0 3 211.309 0.897 20 0 BCADHN CC1(C)CNCCN1C(=O)[C@@H]1CC12CC2 ZINC000644074797 385423414 /nfs/dbraw/zinc/42/34/14/385423414.db2.gz CUHIRAIEYIEKSH-VIFPVBQESA-N 0 3 208.305 0.997 20 0 BCADHN COC(=O)C[C@@H]1CCCN1CCn1cccn1 ZINC000179142289 385444857 /nfs/dbraw/zinc/44/48/57/385444857.db2.gz BCZRHHGVCSGTTI-NSHDSACASA-N 0 3 237.303 0.911 20 0 BCADHN CCCn1nccc1NC(=O)NCCN(C)C ZINC000194725686 385447916 /nfs/dbraw/zinc/44/79/16/385447916.db2.gz HMWBXBLACXYXJK-UHFFFAOYSA-N 0 3 239.323 0.976 20 0 BCADHN O=C(C[C@@H]1CNCCO1)NC1CCCCC1 ZINC000085618624 134449581 /nfs/dbraw/zinc/44/95/81/134449581.db2.gz WHNHODDMYLMEFU-LLVKDONJSA-N 0 3 226.320 0.814 20 0 BCADHN CN(C)C[C@@H]1CN(Cc2c[nH]cn2)CCO1 ZINC000179218950 385452032 /nfs/dbraw/zinc/45/20/32/385452032.db2.gz LXTZLKGEMFKGGJ-LLVKDONJSA-N 0 3 224.308 0.172 20 0 BCADHN CC[C@@H](COC)N[C@H](C)C(=O)NCCF ZINC000309191331 385456727 /nfs/dbraw/zinc/45/67/27/385456727.db2.gz PSJKULJRPWNJQD-BDAKNGLRSA-N 0 3 220.288 0.475 20 0 BCADHN CCOC[C@H](O)CNCc1ccn(C)c1 ZINC000309127228 385429524 /nfs/dbraw/zinc/42/95/24/385429524.db2.gz WTIQBRNCZCVNIK-LLVKDONJSA-N 0 3 212.293 0.512 20 0 BCADHN CN(C)CCN(C)C(=O)NCCCCF ZINC000362152287 385429836 /nfs/dbraw/zinc/42/98/36/385429836.db2.gz NACCIRZTWBYHGK-UHFFFAOYSA-N 0 3 219.304 0.939 20 0 BCADHN C=Cn1cc(CNCCC(=O)NC(C)C)cn1 ZINC000194355185 385430603 /nfs/dbraw/zinc/43/06/03/385430603.db2.gz GREDXGFEPVPLJF-UHFFFAOYSA-N 0 3 236.319 0.988 20 0 BCADHN CC[C@@H](C(=O)NCCc1nc(C)no1)N(C)C ZINC000156026852 385431068 /nfs/dbraw/zinc/43/10/68/385431068.db2.gz NIONQCVZBFCRAQ-VIFPVBQESA-N 0 3 240.307 0.377 20 0 BCADHN Cn1nc2c(c1NC(=O)[C@H]1NCC1(C)C)CCC2 ZINC000644085162 385431087 /nfs/dbraw/zinc/43/10/87/385431087.db2.gz JDFCDDQZAPGFAP-SNVBAGLBSA-N 0 3 248.330 0.845 20 0 BCADHN CC(C)n1cc(CNC[C@@]2(O)CCOC2)cn1 ZINC000179021714 385434415 /nfs/dbraw/zinc/43/44/15/385434415.db2.gz KXMUWIOBOLNJKW-LBPRGKRZSA-N 0 3 239.319 0.705 20 0 BCADHN COC(=O)CCCN1CCOC[C@H](C)C1 ZINC000378284692 385437809 /nfs/dbraw/zinc/43/78/09/385437809.db2.gz GYBAEIIRCSHWGY-SNVBAGLBSA-N 0 3 215.293 0.908 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)Nc2cc[nH]n2)C1 ZINC000167425082 385438075 /nfs/dbraw/zinc/43/80/75/385438075.db2.gz XWIRPNUVLSILPN-YUMQZZPRSA-N 0 3 208.265 0.736 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCO[C@H](C2CC2)C1 ZINC000364477445 385466592 /nfs/dbraw/zinc/46/65/92/385466592.db2.gz ODJOUWXLOQXSMW-PCAWENJQSA-N 0 3 238.331 0.742 20 0 BCADHN CC(C)CNC(=O)CN1CCC[C@@H](N(C)C)C1 ZINC000109804280 385487965 /nfs/dbraw/zinc/48/79/65/385487965.db2.gz LSRCZZBYZNOBCX-GFCCVEGCSA-N 0 3 241.379 0.785 20 0 BCADHN CCOC(=O)C[C@H](C)N(C)CCOCCO ZINC000182668412 385470023 /nfs/dbraw/zinc/47/00/23/385470023.db2.gz RSOYXFCKDOCDCD-JTQLQIEISA-N 0 3 233.308 0.269 20 0 BCADHN CN(C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000171179618 385471393 /nfs/dbraw/zinc/47/13/93/385471393.db2.gz ISHOJRWCDVXJRX-ZDUSSCGKSA-N 0 3 249.358 0.967 20 0 BCADHN CO[C@@H](CNCc1cnnn1C)C1CC1 ZINC000378672932 385461154 /nfs/dbraw/zinc/46/11/54/385461154.db2.gz LVAGAGJRJOFYNR-JTQLQIEISA-N 0 3 210.281 0.330 20 0 BCADHN C[C@H](N)C(=O)NCc1ccc(-n2cncn2)cc1 ZINC000195175811 385462279 /nfs/dbraw/zinc/46/22/79/385462279.db2.gz AAEJTLZRIJKHSC-VIFPVBQESA-N 0 3 245.286 0.231 20 0 BCADHN CCN1CCN(C(=O)[C@@H](N)CCC(C)C)CC1 ZINC000257706549 385490823 /nfs/dbraw/zinc/49/08/23/385490823.db2.gz QCJMHIKCPOMUSN-LBPRGKRZSA-N 0 3 241.379 0.914 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N1CCOCC1 ZINC000257682306 385492953 /nfs/dbraw/zinc/49/29/53/385492953.db2.gz JSMHMAYOYNBENB-SNVBAGLBSA-N 0 3 214.309 0.609 20 0 BCADHN CC(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000110484848 385493475 /nfs/dbraw/zinc/49/34/75/385493475.db2.gz HFOSULDGRBIEQD-MNOVXSKESA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000157252632 385493561 /nfs/dbraw/zinc/49/35/61/385493561.db2.gz DNUKATBXAVDMIU-QMMMGPOBSA-N 0 3 249.270 0.807 20 0 BCADHN CCCCN(C)CC(=O)N(C)CC(=O)OCC ZINC000111192138 385500194 /nfs/dbraw/zinc/50/01/94/385500194.db2.gz LYEZNNQHINZEDU-UHFFFAOYSA-N 0 3 244.335 0.740 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3ccncn3)[C@@H]2C1 ZINC000644810816 385506730 /nfs/dbraw/zinc/50/67/30/385506730.db2.gz LSBNXYLJBOBKQV-GXSJLCMTSA-N 0 3 232.287 0.253 20 0 BCADHN CO[C@H](CNC(=O)[C@H]1C[C@H](F)CN1)C(C)C ZINC000364729891 385508892 /nfs/dbraw/zinc/50/88/92/385508892.db2.gz IROCSHGLKCGSPJ-IVZWLZJFSA-N 0 3 232.299 0.474 20 0 BCADHN C[S@](=O)C[C@@H](NCCO)c1ccccc1 ZINC000183113920 385509237 /nfs/dbraw/zinc/50/92/37/385509237.db2.gz WYFXKOXYDNZSCL-ABAIWWIYSA-N 0 3 227.329 0.688 20 0 BCADHN CCCn1cc(CN[C@@H](CO)CCOC)cn1 ZINC000302264986 385509525 /nfs/dbraw/zinc/50/95/25/385509525.db2.gz GBJBWLYWVSBLAE-GFCCVEGCSA-N 0 3 241.335 0.780 20 0 BCADHN CN(CCCn1ccnc1)CC1OCCO1 ZINC000180214740 385514366 /nfs/dbraw/zinc/51/43/66/385514366.db2.gz ADUGLILRZUAXJF-UHFFFAOYSA-N 0 3 225.292 0.578 20 0 BCADHN COCC[C@H](CO)NCc1cccnc1 ZINC000282180713 385515304 /nfs/dbraw/zinc/51/53/04/385515304.db2.gz JYNZMCCBCGODER-LLVKDONJSA-N 0 3 210.277 0.569 20 0 BCADHN COC[C@@H](O)CN[C@H](COC)c1ccccc1 ZINC000180248502 385515929 /nfs/dbraw/zinc/51/59/29/385515929.db2.gz MMFBSFPFFWBAOI-QWHCGFSZSA-N 0 3 239.315 0.971 20 0 BCADHN C[C@H]1[NH2+]CCC[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000643034755 385531330 /nfs/dbraw/zinc/53/13/30/385531330.db2.gz CVHYTWPJRXMDQM-VXNVDRBHSA-N 0 3 232.291 0.279 20 0 BCADHN CCOC[C@@H](O)CN[C@@H](C)c1cnn(C)c1C ZINC000180614703 385533055 /nfs/dbraw/zinc/53/30/55/385533055.db2.gz HSYMNGDZZSHSMP-ONGXEEELSA-N 0 3 241.335 0.777 20 0 BCADHN C[C@@H](O)CN(CCO)C[C@H]1CCC(C)(C)O1 ZINC000309337997 385537684 /nfs/dbraw/zinc/53/76/84/385537684.db2.gz WBGPENJRPLIWDF-GHMZBOCLSA-N 0 3 231.336 0.619 20 0 BCADHN CC(=O)NCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC000106904454 385538790 /nfs/dbraw/zinc/53/87/90/385538790.db2.gz OVMHOCMWDOPMNS-LLVKDONJSA-N 0 3 243.351 0.215 20 0 BCADHN Cc1cnc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cn1 ZINC000644813104 385539996 /nfs/dbraw/zinc/53/99/96/385539996.db2.gz FPGRTYBTJTVSAZ-CMPLNLGQSA-N 0 3 246.314 0.561 20 0 BCADHN CN(CCN1CCCC1=O)[C@@H]1CCOC1 ZINC000106882404 385540331 /nfs/dbraw/zinc/54/03/31/385540331.db2.gz QHDKNXDWUWZDHW-SNVBAGLBSA-N 0 3 212.293 0.330 20 0 BCADHN CCN1CCC[C@H](NC(=O)N(C)CCO)C1 ZINC000408064930 385544404 /nfs/dbraw/zinc/54/44/04/385544404.db2.gz MNOHARHEUDBQCL-JTQLQIEISA-N 0 3 229.324 0.104 20 0 BCADHN CC[C@@H](C)NC(=O)CN[C@@H](COC)C1CC1 ZINC000183451654 385546572 /nfs/dbraw/zinc/54/65/72/385546572.db2.gz RHIDRIGIYHNIAT-KOLCDFICSA-N 0 3 228.336 0.916 20 0 BCADHN COC(CN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)OC ZINC000364958373 385547252 /nfs/dbraw/zinc/54/72/52/385547252.db2.gz YWLAIHWHHZIBMM-QXEWZRGKSA-N 0 3 242.319 0.191 20 0 BCADHN CSCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000364956119 385547601 /nfs/dbraw/zinc/54/76/01/385547601.db2.gz RUSFIWKIEQATGQ-GUBZILKMSA-N 0 3 228.361 0.935 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)C1CCOCC1 ZINC000644141571 385522057 /nfs/dbraw/zinc/52/20/57/385522057.db2.gz OMUNEFFUHICHAL-UWVGGRQHSA-N 0 3 230.283 0.229 20 0 BCADHN Cc1n[nH]cc1C(=O)NC[C@@H]1CCCN1C ZINC000171856292 385524171 /nfs/dbraw/zinc/52/41/71/385524171.db2.gz RFTJYPJEBSHPRV-VIFPVBQESA-N 0 3 222.292 0.542 20 0 BCADHN C[C@@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CCCOC1 ZINC000644142828 385525943 /nfs/dbraw/zinc/52/59/43/385525943.db2.gz JRBQZPLMAPMBOY-JBLDHEPKSA-N 0 3 244.310 0.619 20 0 BCADHN CCO[C@@H](CC)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644142969 385526113 /nfs/dbraw/zinc/52/61/13/385526113.db2.gz SPXZNLZDYZQZPK-GUBZILKMSA-N 0 3 232.299 0.618 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)[C@H]1CC12CC2 ZINC000644142215 385526432 /nfs/dbraw/zinc/52/64/32/385526432.db2.gz HNASGNKTFXMGNO-XHNCKOQMSA-N 0 3 212.268 0.603 20 0 BCADHN Cc1cc(C(=O)N(C)CCN(C)C)cc(=O)[nH]1 ZINC000180511031 385526561 /nfs/dbraw/zinc/52/65/61/385526561.db2.gz XAWSZFYRPFWZCT-UHFFFAOYSA-N 0 3 237.303 0.729 20 0 BCADHN C[C@@H]1C[C@@H](C)[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)O1 ZINC000644142801 385527149 /nfs/dbraw/zinc/52/71/49/385527149.db2.gz IKNXEHTWDXQCMP-UVOCVTCTSA-N 0 3 244.310 0.616 20 0 BCADHN O=C1CO[C@@H]2CCN(CCCCCF)C[C@H]2N1 ZINC000368501620 385575896 /nfs/dbraw/zinc/57/58/96/385575896.db2.gz BXUHUADCHDYHDL-GHMZBOCLSA-N 0 3 244.310 0.716 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@H](C(C)C)C1 ZINC000309407576 385575931 /nfs/dbraw/zinc/57/59/31/385575931.db2.gz IDKAVGJGKKLGPY-UWVGGRQHSA-N 0 3 214.309 0.607 20 0 BCADHN CCOc1ccc(CN[C@@H]2COC[C@H]2O)cc1 ZINC000295319647 385550632 /nfs/dbraw/zinc/55/06/32/385550632.db2.gz WHJBXMDMHISANB-CHWSQXEVSA-N 0 3 237.299 0.935 20 0 BCADHN CC[C@@H](C)N(CCO)CC(=O)N(C)C(C)C ZINC000309359052 385552125 /nfs/dbraw/zinc/55/21/25/385552125.db2.gz YYDWTFCYUNDCNK-LLVKDONJSA-N 0 3 230.352 0.946 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)c1cnn(C)c1)N(C)C ZINC000158152736 385552153 /nfs/dbraw/zinc/55/21/53/385552153.db2.gz MLNMRUZIICJEAV-ONGXEEELSA-N 0 3 238.335 0.938 20 0 BCADHN COC[C@@H](C)N1CCC[C@@H](C(=O)OC)C1 ZINC000228227092 385556898 /nfs/dbraw/zinc/55/68/98/385556898.db2.gz IRIJREKQYZEPDQ-NXEZZACHSA-N 0 3 215.293 0.906 20 0 BCADHN Cc1ccncc1CNC[C@H](O)[C@@H]1CCOC1 ZINC000354483784 385557432 /nfs/dbraw/zinc/55/74/32/385557432.db2.gz VVBLUIYQNRZWNN-YPMHNXCESA-N 0 3 236.315 0.877 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Cn3cccn3)[C@@H]2C1 ZINC000644814969 385562041 /nfs/dbraw/zinc/56/20/41/385562041.db2.gz NKTQKKODRUPSAG-GHMZBOCLSA-N 0 3 234.303 0.046 20 0 BCADHN CCN(CCNS(C)(=O)=O)C1CCCC1 ZINC000107298983 385562241 /nfs/dbraw/zinc/56/22/41/385562241.db2.gz GJVHJOBUHCYYJX-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN CN(CCNS(C)(=O)=O)C(C1CC1)C1CC1 ZINC000107300035 385562565 /nfs/dbraw/zinc/56/25/65/385562565.db2.gz TVZXJXQZVKQVCJ-UHFFFAOYSA-N 0 3 246.376 0.656 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000408150717 385570644 /nfs/dbraw/zinc/57/06/44/385570644.db2.gz WYCJXMHFBJKWSM-GMTAPVOTSA-N 0 3 242.363 0.979 20 0 BCADHN CC[C@@H](N)C(=O)N(C[C@H](C)OC)C(C)C ZINC000309402546 385571435 /nfs/dbraw/zinc/57/14/35/385571435.db2.gz HPQJXCSKIGJWIZ-VHSXEESVSA-N 0 3 216.325 0.996 20 0 BCADHN C[C@H](NCC1=CCCOC1)C(=O)NCCF ZINC000309410396 385572787 /nfs/dbraw/zinc/57/27/87/385572787.db2.gz IMFUIBCBBFUMQM-VIFPVBQESA-N 0 3 230.283 0.397 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)[C@H]1CCCOC1 ZINC000408154855 385573945 /nfs/dbraw/zinc/57/39/45/385573945.db2.gz NJYPOFUGGOWNCN-IUCAKERBSA-N 0 3 249.332 0.057 20 0 BCADHN COC[C@H]1CCCCN1C[C@@H]1CN(C)C(=O)O1 ZINC000495969837 533130591 /nfs/dbraw/zinc/13/05/91/533130591.db2.gz NXGDNNNWPBOPSM-MNOVXSKESA-N 0 3 242.319 0.938 20 0 BCADHN COC[C@H](NCCOCCO)c1ccccc1 ZINC000181693989 385595140 /nfs/dbraw/zinc/59/51/40/385595140.db2.gz FQMBXQOJZZJBHY-ZDUSSCGKSA-N 0 3 239.315 0.973 20 0 BCADHN C[C@@H](CSc1nnnn1C)N(C)C ZINC000336650532 385606420 /nfs/dbraw/zinc/60/64/20/385606420.db2.gz IMVLCIGDYUEJEE-LURJTMIESA-N 0 3 201.299 0.252 20 0 BCADHN CN[C@H](C)C(=O)N[C@@H](C)c1cnn(C)c1C ZINC000054072712 385596291 /nfs/dbraw/zinc/59/62/91/385596291.db2.gz VYQGWLCBQYHBON-JGVFFNPUSA-N 0 3 224.308 0.514 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](C)c1cnn(C)c1C ZINC000054072713 385596344 /nfs/dbraw/zinc/59/63/44/385596344.db2.gz VYQGWLCBQYHBON-SFYZADRCSA-N 0 3 224.308 0.514 20 0 BCADHN NC(=O)[C@H]1CCCN1CC[C@H]1CCCCO1 ZINC000408195673 385598757 /nfs/dbraw/zinc/59/87/57/385598757.db2.gz SLUWUGLHGRLVQY-GHMZBOCLSA-N 0 3 226.320 0.895 20 0 BCADHN CSCC[C@H](O)C(=O)N1CCNC(C)(C)C1 ZINC000408450202 385600800 /nfs/dbraw/zinc/60/08/00/385600800.db2.gz DDDCXJPBBWWONU-VIFPVBQESA-N 0 3 246.376 0.311 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)/C=C/c1ncc[nH]1 ZINC000493545057 385582752 /nfs/dbraw/zinc/58/27/52/385582752.db2.gz CNQDZGHCZGXWAT-QRGHLMKCSA-N 0 3 248.330 0.976 20 0 BCADHN CC[C@@H](C)N1CCN(CC(=O)NC)CC1 ZINC000337335344 385605838 /nfs/dbraw/zinc/60/58/38/385605838.db2.gz LTKHASQFBRRTFQ-SNVBAGLBSA-N 0 3 213.325 0.149 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3cc[nH]c3)[C@@H]2C1 ZINC000644817158 385605842 /nfs/dbraw/zinc/60/58/42/385605842.db2.gz ZWKRYTGTKFHHDN-WDEREUQCSA-N 0 3 219.288 0.791 20 0 BCADHN CCN(CC)CC(=O)N1CCN(C)CC[C@H]1C ZINC000354020029 385587440 /nfs/dbraw/zinc/58/74/40/385587440.db2.gz NCSNYULGZPYILO-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CS[C@@H](C)CNC(=O)N1CCCNCC1 ZINC000335171895 385587863 /nfs/dbraw/zinc/58/78/63/385587863.db2.gz WMNDBLCEWMOYIZ-VIFPVBQESA-N 0 3 231.365 0.743 20 0 BCADHN CC[C@H](N)C(=O)N1CCOC(C)(C)C1 ZINC000036871901 385588118 /nfs/dbraw/zinc/58/81/18/385588118.db2.gz ONHWUMINXUNABT-QMMMGPOBSA-N 0 3 200.282 0.361 20 0 BCADHN COC(C)(C)CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000334609401 385588515 /nfs/dbraw/zinc/58/85/15/385588515.db2.gz JTCFDRYSOYUIOU-ZJUUUORDSA-N 0 3 243.351 0.803 20 0 BCADHN Cc1cnn(CC(=O)N2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000644816527 385590079 /nfs/dbraw/zinc/59/00/79/385590079.db2.gz VSPHNAFBBTVZMS-NWDGAFQWSA-N 0 3 248.330 0.354 20 0 BCADHN CCOC[C@H](O)CN[C@H](C)c1ccnn1C ZINC000309495752 385615774 /nfs/dbraw/zinc/61/57/74/385615774.db2.gz ZBAORLIEILJUJO-NXEZZACHSA-N 0 3 227.308 0.468 20 0 BCADHN COCCCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644820849 385617352 /nfs/dbraw/zinc/61/73/52/385617352.db2.gz YHAUMXDIPAFKOF-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cnns2)CCN1C ZINC000408180269 385617816 /nfs/dbraw/zinc/61/78/16/385617816.db2.gz ORTINPUWFHQEBP-YUMQZZPRSA-N 0 3 240.332 0.751 20 0 BCADHN CCOCCNC(=O)CN[C@H]1COCC1(C)C ZINC000451811418 385618228 /nfs/dbraw/zinc/61/82/28/385618228.db2.gz QVZPEURZQSZYKK-JTQLQIEISA-N 0 3 244.335 0.154 20 0 BCADHN CCOCCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644821015 385621116 /nfs/dbraw/zinc/62/11/16/385621116.db2.gz GSINDNIVTWSUKO-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)COCCOC ZINC000337382302 385622155 /nfs/dbraw/zinc/62/21/55/385622155.db2.gz BIMVAZLINJTWPA-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN COC(=O)C[C@@H]1CCCN1CCn1cncn1 ZINC000269672772 385624425 /nfs/dbraw/zinc/62/44/25/385624425.db2.gz ROWAKFVHXUQFHB-JTQLQIEISA-N 0 3 238.291 0.306 20 0 BCADHN C[C@H](CNC(=O)Cc1ncccc1F)N(C)C ZINC000280979693 385625210 /nfs/dbraw/zinc/62/52/10/385625210.db2.gz ZVTQMORGJHHEFU-SECBINFHSA-N 0 3 239.294 0.830 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(C)C2)CO1 ZINC000645201968 385628444 /nfs/dbraw/zinc/62/84/44/385628444.db2.gz NHQWNLGYWMKPBB-GMTAPVOTSA-N 0 3 241.335 0.557 20 0 BCADHN CCCS(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000066105772 385632144 /nfs/dbraw/zinc/63/21/44/385632144.db2.gz OYLGSHXKHMXALG-LLVKDONJSA-N 0 3 246.376 0.896 20 0 BCADHN COC[C@H](N[C@H]1CCCN(C)C1=O)C1CC1 ZINC000309484050 385611083 /nfs/dbraw/zinc/61/10/83/385611083.db2.gz USSWOKIYCNZACR-QWRGUYRKSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@H](C)CCN[C@H](C)CS(C)(=O)=O ZINC000336650409 385611634 /nfs/dbraw/zinc/61/16/34/385611634.db2.gz INYLZPHOCJSDPW-RKDXNWHRSA-N 0 3 223.338 0.434 20 0 BCADHN CC(C)[C@@H]1CCCN1CCNS(C)(=O)=O ZINC000337350677 385612849 /nfs/dbraw/zinc/61/28/49/385612849.db2.gz SYYYULJMRZYBQD-JTQLQIEISA-N 0 3 234.365 0.656 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)no1 ZINC000644824676 385664285 /nfs/dbraw/zinc/66/42/85/385664285.db2.gz YSEFLWHAZBGNLO-ONGXEEELSA-N 0 3 235.287 0.759 20 0 BCADHN COC(=O)[C@](C)(O)CN1[C@@H](C)CC(O)C[C@@H]1C ZINC000408184707 385638162 /nfs/dbraw/zinc/63/81/62/385638162.db2.gz ZHKGLBBLWGIFOA-HOTUBEGUSA-N 0 3 245.319 0.144 20 0 BCADHN C[C@H](O)CN1CCN(C[C@H]2CCCO2)[C@@H](C)C1 ZINC000337441269 385665023 /nfs/dbraw/zinc/66/50/23/385665023.db2.gz ZPEPOTFZNHZVTA-RWMBFGLXSA-N 0 3 242.363 0.552 20 0 BCADHN CS[C@@H](C)CNC(=O)/C=C/CN(C)C ZINC000269830893 385639972 /nfs/dbraw/zinc/63/99/72/385639972.db2.gz LOPLSIQJVYTLNN-CYNONHLPSA-N 0 3 216.350 0.972 20 0 BCADHN CN(C)CCN[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000309502955 385640600 /nfs/dbraw/zinc/64/06/00/385640600.db2.gz AGYCAFOWSJQFDJ-WDEREUQCSA-N 0 3 248.392 0.493 20 0 BCADHN COC[C@@H](C)CNC(=O)C(N)C(F)(F)F ZINC000309506646 385643389 /nfs/dbraw/zinc/64/33/89/385643389.db2.gz WBQHEBJEZKXRQE-WDSKDSINSA-N 0 3 228.214 0.275 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000336682939 385645360 /nfs/dbraw/zinc/64/53/60/385645360.db2.gz YUHCMAMOUKOEAJ-YUMQZZPRSA-N 0 3 236.262 0.606 20 0 BCADHN C=Cn1cc(CN2CC[C@](C)(C(=O)NC)C2)cn1 ZINC000281213247 385645439 /nfs/dbraw/zinc/64/54/39/385645439.db2.gz UKHAVDSHUKTOEX-ZDUSSCGKSA-N 0 3 248.330 0.942 20 0 BCADHN Cc1c(CN[C@@H]2CN(C)C[C@@H]2C)cnn1C ZINC000309512211 385646919 /nfs/dbraw/zinc/64/69/19/385646919.db2.gz XSLYPYCYLFNENX-JOYOIKCWSA-N 0 3 222.336 0.768 20 0 BCADHN Cc1c(CN[C@H]2CN(C)C[C@H]2C)cnn1C ZINC000309512212 385647842 /nfs/dbraw/zinc/64/78/42/385647842.db2.gz XSLYPYCYLFNENX-SKDRFNHKSA-N 0 3 222.336 0.768 20 0 BCADHN Cc1nnccc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000269906879 385648108 /nfs/dbraw/zinc/64/81/08/385648108.db2.gz BJSWOPVLAFDZSY-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN C[C@H](N[C@@H](C)[C@H]1CCOC1)c1ncnn1C ZINC000309517004 385649130 /nfs/dbraw/zinc/64/91/30/385649130.db2.gz YYOAGBXTXMBFON-GUBZILKMSA-N 0 3 224.308 0.891 20 0 BCADHN CCN(C(=O)[C@@H](N)CC(F)F)C1CC1 ZINC000336683536 385649206 /nfs/dbraw/zinc/64/92/06/385649206.db2.gz JBRNGVZLGJNIJP-ZETCQYMHSA-N 0 3 206.236 0.980 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644823597 385652905 /nfs/dbraw/zinc/65/29/05/385652905.db2.gz OTGSWPALSTYCBD-LMLFDSFASA-N 0 3 208.305 0.805 20 0 BCADHN Cn1cc(CC(=O)N2CC[C@H]3CN(C)C[C@H]32)cn1 ZINC000644823780 385652969 /nfs/dbraw/zinc/65/29/69/385652969.db2.gz PFYJIUDKQHKUPX-NWDGAFQWSA-N 0 3 248.330 0.125 20 0 BCADHN Cn1cncc1CNC1(CC(N)=O)CCC1 ZINC000309519858 385657718 /nfs/dbraw/zinc/65/77/18/385657718.db2.gz BBNAYJWICAHCNL-UHFFFAOYSA-N 0 3 222.292 0.308 20 0 BCADHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)N(C)C)C1(C)C ZINC000309521865 385658668 /nfs/dbraw/zinc/65/86/68/385658668.db2.gz CEGUIQAXSGRCEI-DVVUODLYSA-N 0 3 228.336 0.724 20 0 BCADHN CCN(CC)CC(=O)NC[C@@]1(OC)CCOC1 ZINC000337433132 385659053 /nfs/dbraw/zinc/65/90/53/385659053.db2.gz ZXVSDCFRLYFARL-LBPRGKRZSA-N 0 3 244.335 0.250 20 0 BCADHN Cc1nnccc1C(=O)NCCN(C)C1CC1 ZINC000270002337 385658945 /nfs/dbraw/zinc/65/89/45/385658945.db2.gz YYUVWRFSYLWEBR-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN CC[C@H](C)OCC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644824670 385663554 /nfs/dbraw/zinc/66/35/54/385663554.db2.gz YNMDVQHDKNUUQI-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2ccncn2)CN1C1CC1 ZINC000331515914 385672090 /nfs/dbraw/zinc/67/20/90/385672090.db2.gz NMBFOFVWUCKJEP-ZJUUUORDSA-N 0 3 246.314 0.832 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CSC1(C)C ZINC000336684276 385672527 /nfs/dbraw/zinc/67/25/27/385672527.db2.gz JRDZSBYDYQGLAT-HTQZYQBOSA-N 0 3 237.390 0.903 20 0 BCADHN O=S1(=O)CCC[C@H](NCC2(CO)CCC2)C1 ZINC000184536446 385673739 /nfs/dbraw/zinc/67/37/39/385673739.db2.gz IHDUEPQJQYMZCV-JTQLQIEISA-N 0 3 247.360 0.316 20 0 BCADHN C[C@H](CN[C@@H](C)Cn1cccn1)S(C)(=O)=O ZINC000309540962 385673810 /nfs/dbraw/zinc/67/38/10/385673810.db2.gz FWNWGTWMEZNJOS-VHSXEESVSA-N 0 3 245.348 0.294 20 0 BCADHN CCN(CCO)CCNCc1nc(C)cs1 ZINC000184540000 385673959 /nfs/dbraw/zinc/67/39/59/385673959.db2.gz NBEXGZHOVPAHEZ-UHFFFAOYSA-N 0 3 243.376 0.855 20 0 BCADHN C[C@@H](O)CN1CCc2cc[nH]c(=O)c2C1 ZINC000281467126 385675683 /nfs/dbraw/zinc/67/56/83/385675683.db2.gz VSFVZISQMGXYKV-MRVPVSSYSA-N 0 3 208.261 0.526 20 0 BCADHN CCN(CCO)CCNCc1cncs1 ZINC000184548781 385676379 /nfs/dbraw/zinc/67/63/79/385676379.db2.gz DWGFOQLFJNKXSV-UHFFFAOYSA-N 0 3 229.349 0.547 20 0 BCADHN CCN(CCO)CCNCc1cccnc1 ZINC000184550369 385676791 /nfs/dbraw/zinc/67/67/91/385676791.db2.gz WWCKMNOYQIAPQO-UHFFFAOYSA-N 0 3 223.320 0.485 20 0 BCADHN C[C@@H]1CN(CCN2C(=O)CCC2=O)[C@H]1C ZINC000645218156 385679324 /nfs/dbraw/zinc/67/93/24/385679324.db2.gz PBDINHYAHOKALQ-BDAKNGLRSA-N 0 3 210.277 0.476 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1cc(F)c[nH]1 ZINC000354581738 385681090 /nfs/dbraw/zinc/68/10/90/385681090.db2.gz TVMYVHRGJLSNDP-SSDOTTSWSA-N 0 3 213.256 0.834 20 0 BCADHN CO[C@]1(C)C[C@@H](N[C@H]2CCNC2=O)C1(C)C ZINC000309549258 385681642 /nfs/dbraw/zinc/68/16/42/385681642.db2.gz HPVGMDCEXWOHQF-YGOYTEALSA-N 0 3 226.320 0.668 20 0 BCADHN CN(CCNC(=O)c1cn(C)cn1)C1CC1 ZINC000270245560 385688491 /nfs/dbraw/zinc/68/84/91/385688491.db2.gz DRHGUHSZRQBBJI-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN CN(C)CC1(NC(=O)c2cnc[nH]2)CCC1 ZINC000281630001 385688950 /nfs/dbraw/zinc/68/89/50/385688950.db2.gz GKUDKEUZQTZVKL-UHFFFAOYSA-N 0 3 222.292 0.624 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H](O)C1CC1 ZINC000337508068 385691152 /nfs/dbraw/zinc/69/11/52/385691152.db2.gz CIEJKTWPLWMQSW-SNVBAGLBSA-N 0 3 214.309 0.215 20 0 BCADHN CCN(CC)CC(=O)NC[C@H](O)C1CC1 ZINC000337508067 385691352 /nfs/dbraw/zinc/69/13/52/385691352.db2.gz CIEJKTWPLWMQSW-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN CCN(CCCCS(C)(=O)=O)[C@@H](C)CO ZINC000645232301 385694185 /nfs/dbraw/zinc/69/41/85/385694185.db2.gz LJDSAQDYHMMPGV-JTQLQIEISA-N 0 3 237.365 0.514 20 0 BCADHN COCCOCCCNC(=O)[C@@H]1NCC1(C)C ZINC000647914063 385696989 /nfs/dbraw/zinc/69/69/89/385696989.db2.gz IIXOURYHZJAGEY-JTQLQIEISA-N 0 3 244.335 0.154 20 0 BCADHN C[C@H](O)CN[C@@]1(CO)CCOc2ccccc21 ZINC000281761469 385701170 /nfs/dbraw/zinc/70/11/70/385701170.db2.gz RRLTWYAZMOSNOP-GXFFZTMASA-N 0 3 237.299 0.627 20 0 BCADHN Cc1c(CNC(=O)/C=C/CN(C)C)cnn1C ZINC000270377893 385703138 /nfs/dbraw/zinc/70/31/38/385703138.db2.gz MKHPFYXNVVSVEB-AATRIKPKSA-N 0 3 236.319 0.463 20 0 BCADHN COC(=O)c1cc(CN(C)CCCO)c[nH]1 ZINC000281797434 385703339 /nfs/dbraw/zinc/70/33/39/385703339.db2.gz OPURGMHLCCIUBG-UHFFFAOYSA-N 0 3 226.276 0.616 20 0 BCADHN Cc1nc(N)nc(N2CC[C@]3(CCN(C)C3)C2)n1 ZINC000310958581 385704871 /nfs/dbraw/zinc/70/48/71/385704871.db2.gz NNZMSFKXFVZSJW-LBPRGKRZSA-N 0 3 248.334 0.294 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](OC)[C@@H](OC)C1 ZINC000337551907 385706032 /nfs/dbraw/zinc/70/60/32/385706032.db2.gz HBCVMCFGQRTRBF-PHIMTYICSA-N 0 3 244.335 0.200 20 0 BCADHN C[C@H](Cn1cncn1)NCc1cncn1C ZINC000309576016 385709596 /nfs/dbraw/zinc/70/95/96/385709596.db2.gz OXUITXLPXDVXEE-SECBINFHSA-N 0 3 220.280 0.190 20 0 BCADHN C[C@@H](CO)CCCNC(=O)/C=C/CN(C)C ZINC000270505385 385711787 /nfs/dbraw/zinc/71/17/87/385711787.db2.gz WYZAXHTVTPLIEW-OKPNEXGHSA-N 0 3 228.336 0.629 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H]1CN(C)C ZINC000337448904 385667111 /nfs/dbraw/zinc/66/71/11/385667111.db2.gz HACJXDNJNAPBRK-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CC[C@@]1(CO)CCCN1Cc1cnnn1C ZINC000408208608 385667708 /nfs/dbraw/zinc/66/77/08/385667708.db2.gz OGQBASUBGFOKDS-NSHDSACASA-N 0 3 224.308 0.552 20 0 BCADHN Cc1nc(CNC[C@@]2(O)CCN(C)C2)cs1 ZINC000309524997 385668043 /nfs/dbraw/zinc/66/80/43/385668043.db2.gz CLQASXOHAMUTKL-NSHDSACASA-N 0 3 241.360 0.608 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C(=O)OC)C1CC1 ZINC000337465625 385671419 /nfs/dbraw/zinc/67/14/19/385671419.db2.gz RVLUGENFDHLWLL-NSHDSACASA-N 0 3 242.319 0.396 20 0 BCADHN C[C@H](O)CN1CC[C@H](Oc2ccccn2)C1 ZINC000282052888 385727928 /nfs/dbraw/zinc/72/79/28/385727928.db2.gz RSENLCIDWPGBGO-QWRGUYRKSA-N 0 3 222.288 0.916 20 0 BCADHN CCNC(=O)NC(=O)CN1CC[C@@H](C)[C@H]1CC ZINC000185657040 385730109 /nfs/dbraw/zinc/73/01/09/385730109.db2.gz IGMHWXDRWOQTKU-NXEZZACHSA-N 0 3 241.335 0.953 20 0 BCADHN CN(CCOCCO)Cc1ccn(C)c1 ZINC000282766384 385785756 /nfs/dbraw/zinc/78/57/56/385785756.db2.gz PEXBSDYBFDDLPE-UHFFFAOYSA-N 0 3 212.293 0.466 20 0 BCADHN CN(C)CCOCCNC(=O)N[C@H]1CC12CC2 ZINC000425736529 385732761 /nfs/dbraw/zinc/73/27/61/385732761.db2.gz HIIGSHWUXJYEHF-JTQLQIEISA-N 0 3 241.335 0.416 20 0 BCADHN COC[C@H](N[C@@H](C)C(=O)NCCF)C1CC1 ZINC000309602381 385737060 /nfs/dbraw/zinc/73/70/60/385737060.db2.gz XXFQBKSARMBPFB-WPRPVWTQSA-N 0 3 232.299 0.475 20 0 BCADHN CCN1CC[C@H](NCc2cn3cccnc3n2)C1 ZINC000414552469 385737134 /nfs/dbraw/zinc/73/71/34/385737134.db2.gz QGSGEPXTPJWFKE-NSHDSACASA-N 0 3 245.330 0.913 20 0 BCADHN COC[C@@H](C)OC[C@H](O)CN1CCC1 ZINC000336693167 385737411 /nfs/dbraw/zinc/73/74/11/385737411.db2.gz QZOHAMMVBCPARP-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN Cn1ccnc1CN1CCNC[C@](C)(F)C1 ZINC000335255709 385740384 /nfs/dbraw/zinc/74/03/84/385740384.db2.gz JEBSDVYUGKQWKO-NSHDSACASA-N 0 3 226.299 0.554 20 0 BCADHN CCN(CCCn1ccnc1)[C@@H]1CCNC1=O ZINC000282188491 385740827 /nfs/dbraw/zinc/74/08/27/385740827.db2.gz BVEIVFWKNYBWOL-LLVKDONJSA-N 0 3 236.319 0.484 20 0 BCADHN CC[C@H](NCC(C)(C)C(N)=O)c1cnn(C)c1 ZINC000183201780 385741807 /nfs/dbraw/zinc/74/18/07/385741807.db2.gz WBAZCOJXMPULHT-JTQLQIEISA-N 0 3 238.335 0.972 20 0 BCADHN C[C@H](N[C@H]1CCCSC1)C(=O)N(C)C ZINC000061573294 385742999 /nfs/dbraw/zinc/74/29/99/385742999.db2.gz BNROFURRCWFXPX-IUCAKERBSA-N 0 3 216.350 0.948 20 0 BCADHN COC[C@@H](O)CN[C@H](CO)c1ccsc1 ZINC000336656640 385786310 /nfs/dbraw/zinc/78/63/10/385786310.db2.gz AKSZOIGQIDIDJR-VHSXEESVSA-N 0 3 231.317 0.378 20 0 BCADHN CC(=O)N1CC[C@H](NCc2[nH]ncc2C)C1 ZINC000336695917 385746685 /nfs/dbraw/zinc/74/66/85/385746685.db2.gz YMOYEEKCRZGGIY-JTQLQIEISA-N 0 3 222.292 0.429 20 0 BCADHN C[C@H](O)C(=O)NCc1ccccc1CN(C)C ZINC000270816713 385748676 /nfs/dbraw/zinc/74/86/76/385748676.db2.gz QMLKYODXSXXQDK-JTQLQIEISA-N 0 3 236.315 0.745 20 0 BCADHN CCc1cccnc1C(=O)NCCN(C)C ZINC000270899327 385759135 /nfs/dbraw/zinc/75/91/35/385759135.db2.gz JFHBBUZSXIENLY-UHFFFAOYSA-N 0 3 221.304 0.935 20 0 BCADHN O=C1NC[C@@H](CN2CCC[C@]23CCOC3)O1 ZINC000367456376 385762089 /nfs/dbraw/zinc/76/20/89/385762089.db2.gz BPYLIVGXLBTZBW-GXSJLCMTSA-N 0 3 226.276 0.350 20 0 BCADHN COCCn1cc(CN2CCC[C@@H]2CO)cn1 ZINC000271028219 385771960 /nfs/dbraw/zinc/77/19/60/385771960.db2.gz FSCUOTUNMLCFHZ-GFCCVEGCSA-N 0 3 239.319 0.486 20 0 BCADHN CN(CCc1ccccn1)CCn1cncn1 ZINC000271018699 385773094 /nfs/dbraw/zinc/77/30/94/385773094.db2.gz NJFDPQXQNVIAAX-UHFFFAOYSA-N 0 3 231.303 0.848 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)C2)C1 ZINC000335535863 385777872 /nfs/dbraw/zinc/77/78/72/385777872.db2.gz ZVKATTNPBIUPDX-GHMZBOCLSA-N 0 3 238.331 0.908 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(C=O)[nH]1)CN(C)C ZINC000293994007 385782407 /nfs/dbraw/zinc/78/24/07/385782407.db2.gz YGOGTHYMLIMZPZ-VIFPVBQESA-N 0 3 237.303 0.755 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H](O)[C@H](C)C1)N(C)C ZINC000186729252 385788076 /nfs/dbraw/zinc/78/80/76/385788076.db2.gz TVGFYJQAOPNSDA-GMTAPVOTSA-N 0 3 228.336 0.556 20 0 BCADHN CCN(CCOCCO)Cc1ccn(C)c1 ZINC000282779662 385784272 /nfs/dbraw/zinc/78/42/72/385784272.db2.gz QFCXJJZXKXCHLP-UHFFFAOYSA-N 0 3 226.320 0.856 20 0 BCADHN Cn1cncc1CNCC[C@@H](O)C(F)(F)F ZINC000336689726 385720018 /nfs/dbraw/zinc/72/00/18/385720018.db2.gz KEDBLGPCIDTTMT-MRVPVSSYSA-N 0 3 237.225 0.823 20 0 BCADHN COC[C@](C)(CC(=O)OC)NC[C@H](C)OC ZINC000309591548 385720545 /nfs/dbraw/zinc/72/05/45/385720545.db2.gz UXJUJQXCPQMRNU-ONGXEEELSA-N 0 3 233.308 0.579 20 0 BCADHN C[C@H](NC[C@]1(O)CCN(C)C1)c1cncs1 ZINC000309590022 385720899 /nfs/dbraw/zinc/72/08/99/385720899.db2.gz UNLDDVXFPZMMPI-GXSJLCMTSA-N 0 3 241.360 0.860 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1ccnnc1 ZINC000270605337 385722878 /nfs/dbraw/zinc/72/28/78/385722878.db2.gz XTCDPDXDVPKISQ-LLVKDONJSA-N 0 3 234.303 0.643 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](C)[C@@H]1CO ZINC000337591275 385723967 /nfs/dbraw/zinc/72/39/67/385723967.db2.gz IFYZGRAVSDOOMD-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN O=S1(=O)CCC[C@@H](NC[C@@H](CO)C2CC2)C1 ZINC000309596158 385725101 /nfs/dbraw/zinc/72/51/01/385725101.db2.gz URYMJSIUOVLREW-WDEREUQCSA-N 0 3 247.360 0.172 20 0 BCADHN COCCn1cc(CNC(C)(C)[C@@H](C)O)cn1 ZINC000270618077 385725944 /nfs/dbraw/zinc/72/59/44/385725944.db2.gz BOTQDUSWJJIPTJ-SNVBAGLBSA-N 0 3 241.335 0.779 20 0 BCADHN C[C@H](Cn1cccn1)NC(=O)NCCN(C)C ZINC000270653532 385726486 /nfs/dbraw/zinc/72/64/86/385726486.db2.gz MJJWAPGUXCNCCP-SNVBAGLBSA-N 0 3 239.323 0.132 20 0 BCADHN CN(C)CCNC(=O)NCc1cccn1C ZINC000270654098 385726589 /nfs/dbraw/zinc/72/65/89/385726589.db2.gz MORPRDAGJFKVQS-UHFFFAOYSA-N 0 3 224.308 0.386 20 0 BCADHN CC1(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000363877434 385801142 /nfs/dbraw/zinc/80/11/42/385801142.db2.gz DBIDDADDKUSXFB-WDEREUQCSA-N 0 3 238.331 0.766 20 0 BCADHN CC1(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000363877431 385801253 /nfs/dbraw/zinc/80/12/53/385801253.db2.gz DBIDDADDKUSXFB-GHMZBOCLSA-N 0 3 238.331 0.766 20 0 BCADHN COC(=O)c1cc(CN2CC[C@@](C)(O)C2)c[nH]1 ZINC000271201923 385803014 /nfs/dbraw/zinc/80/30/14/385803014.db2.gz JHARBYZJVMVEOB-GFCCVEGCSA-N 0 3 238.287 0.758 20 0 BCADHN C[C@H](CO)N(CCc1ccnn1C)C[C@H](C)O ZINC000283092035 385808203 /nfs/dbraw/zinc/80/82/03/385808203.db2.gz LMSXYQOOWPBHSX-MNOVXSKESA-N 0 3 241.335 0.026 20 0 BCADHN C[C@@H](Cn1cccn1)NCc1c[nH]nn1 ZINC000283966455 385812209 /nfs/dbraw/zinc/81/22/09/385812209.db2.gz LUWXLAQVOWLLFX-QMMMGPOBSA-N 0 3 206.253 0.180 20 0 BCADHN CC1(CO)CCN(CCOCCO)CC1 ZINC000186909907 385815647 /nfs/dbraw/zinc/81/56/47/385815647.db2.gz WGYXLGZRQMGJGD-UHFFFAOYSA-N 0 3 217.309 0.090 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NCc1ccco1 ZINC000336657061 385816636 /nfs/dbraw/zinc/81/66/36/385816636.db2.gz APLABQFTRAUUDY-ZETCQYMHSA-N 0 3 218.203 0.878 20 0 BCADHN CN(CC(=O)NC1CC1)CC1(N(C)C)CCC1 ZINC000186937631 385819117 /nfs/dbraw/zinc/81/91/17/385819117.db2.gz PELCSJWRORBKQD-UHFFFAOYSA-N 0 3 239.363 0.681 20 0 BCADHN C[C@@H](Cn1cccn1)N[C@@H]1CC(=O)N(C)C1 ZINC000336737758 385819785 /nfs/dbraw/zinc/81/97/85/385819785.db2.gz JPUYSWUEBWSPLK-VHSXEESVSA-N 0 3 222.292 0.092 20 0 BCADHN CN(CCO)[C@H]1Cc2ccccc2[C@@H]1O ZINC000271866417 385857429 /nfs/dbraw/zinc/85/74/29/385857429.db2.gz BGPQYZKWWQHEAB-RYUDHWBXSA-N 0 3 207.273 0.569 20 0 BCADHN COC[C@H](C)N(C)CCc1cnccn1 ZINC000271376513 385822527 /nfs/dbraw/zinc/82/25/27/385822527.db2.gz SDKCGJNUHUZHFZ-JTQLQIEISA-N 0 3 209.293 0.986 20 0 BCADHN O=C(CN1CC[C@@](O)(C2CC2)C1)NC1CC1 ZINC000365840593 385823892 /nfs/dbraw/zinc/82/38/92/385823892.db2.gz WOQLMKMXRWHDEF-LBPRGKRZSA-N 0 3 224.304 0.112 20 0 BCADHN N[C@H](C(=O)Nc1ccncc1)C1CCOCC1 ZINC000261621529 385827182 /nfs/dbraw/zinc/82/71/82/385827182.db2.gz CEZQSKYRVQTAGH-NSHDSACASA-N 0 3 235.287 0.774 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccn2ccnc2c1 ZINC000261901640 385832362 /nfs/dbraw/zinc/83/23/62/385832362.db2.gz ZCGVHMBAAXXWTP-MRVPVSSYSA-N 0 3 218.260 0.298 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000365897954 385832556 /nfs/dbraw/zinc/83/25/56/385832556.db2.gz SGOMCUIMVWXQRY-TUAOUCFPSA-N 0 3 240.347 0.556 20 0 BCADHN O=C1CCC(=O)N1CCN1CCC12CCC2 ZINC000336555969 385832873 /nfs/dbraw/zinc/83/28/73/385832873.db2.gz RYEHDJDPSUCWGV-UHFFFAOYSA-N 0 3 222.288 0.764 20 0 BCADHN CCN(CC(=O)NCC(=O)OC)CC1CC1 ZINC000112210511 385835005 /nfs/dbraw/zinc/83/50/05/385835005.db2.gz XOJOHBNRRHLIQS-UHFFFAOYSA-N 0 3 228.292 0.008 20 0 BCADHN CCOc1cc(C(=O)NCCN(C)C)on1 ZINC000294315600 385835858 /nfs/dbraw/zinc/83/58/58/385835858.db2.gz ZBTZYAZOBDWJKD-UHFFFAOYSA-N 0 3 227.264 0.365 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)CCCn1ccnc1 ZINC000262147991 385837509 /nfs/dbraw/zinc/83/75/09/385837509.db2.gz QSINZKOALAAWKR-NSHDSACASA-N 0 3 238.335 0.715 20 0 BCADHN Cc1ccc([O-])c(CNC[C@@H](C)C[NH3+])n1 ZINC000414869752 385838473 /nfs/dbraw/zinc/83/84/73/385838473.db2.gz BFNCILNQVOYIRO-QMMMGPOBSA-N 0 3 209.293 0.780 20 0 BCADHN Cc1cn[nH]c1CN1CCC(CC(N)=O)CC1 ZINC000283874048 385839744 /nfs/dbraw/zinc/83/97/44/385839744.db2.gz FFUXSYISMDQSMZ-UHFFFAOYSA-N 0 3 236.319 0.806 20 0 BCADHN C[C@@H](N[C@@H](C)C(=O)NCCF)[C@@H]1CCCO1 ZINC000336725282 385841923 /nfs/dbraw/zinc/84/19/23/385841923.db2.gz BKZBBKKGBXGHNX-UTLUCORTSA-N 0 3 232.299 0.618 20 0 BCADHN Nc1cc(CN2CCC[C@@H](O)C2)ccn1 ZINC000052729610 385842505 /nfs/dbraw/zinc/84/25/05/385842505.db2.gz DGSZDGUJGRIVSV-SNVBAGLBSA-N 0 3 207.277 0.621 20 0 BCADHN O=C(C=Cc1c[nH]cn1)N1CCN2CCC[C@@H]2C1 ZINC000283969031 385843505 /nfs/dbraw/zinc/84/35/05/385843505.db2.gz MDJVKTXBUHCGCX-AAOUONPWSA-N 0 3 246.314 0.730 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)NCCN(C)C)CS1 ZINC000413677359 385858638 /nfs/dbraw/zinc/85/86/38/385858638.db2.gz JENQLNFFCAKNIQ-DTWKUNHWSA-N 0 3 231.365 0.741 20 0 BCADHN CC(C)OCCNC(=O)NC[C@@H]1CCCN1C ZINC000183686064 385847525 /nfs/dbraw/zinc/84/75/25/385847525.db2.gz IXSFOLMTADTXCV-NSHDSACASA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H](C(=O)NC1(CO)CC1)N1[C@H](C)CC[C@H]1C ZINC000413638526 385847932 /nfs/dbraw/zinc/84/79/32/385847932.db2.gz IWTYUDKQVIPTMP-GMTAPVOTSA-N 0 3 240.347 0.889 20 0 BCADHN COCc1nc(C)cc(N2CC(N(C)C)C2)n1 ZINC000271737453 385848478 /nfs/dbraw/zinc/84/84/78/385848478.db2.gz PAUPZVDEFWUBFG-UHFFFAOYSA-N 0 3 236.319 0.682 20 0 BCADHN Cc1nc(C(=O)NC[C@H]2CCCN2C)no1 ZINC000122972440 385849211 /nfs/dbraw/zinc/84/92/11/385849211.db2.gz UHOFIQKTHOFWMV-MRVPVSSYSA-N 0 3 224.264 0.202 20 0 BCADHN CCN(C)CCNC(=O)NCc1ncoc1C ZINC000271766513 385849344 /nfs/dbraw/zinc/84/93/44/385849344.db2.gz JAIRXPJZIPNSSJ-UHFFFAOYSA-N 0 3 240.307 0.734 20 0 BCADHN Cn1cccc1CN1C[C@@H](O)C2(CC2)C1 ZINC000335743439 385850781 /nfs/dbraw/zinc/85/07/81/385850781.db2.gz BVSTWJWAYFBNGJ-LLVKDONJSA-N 0 3 206.289 0.982 20 0 BCADHN CCC[C@H](C(=O)N[C@@H](C)CC(=O)OC)N(C)C ZINC000337943588 385853483 /nfs/dbraw/zinc/85/34/83/385853483.db2.gz GXBSGIABSATKIP-VHSXEESVSA-N 0 3 244.335 0.785 20 0 BCADHN CCc1cc(C(=O)NCC2=CCN(C)CC2)[nH]n1 ZINC000271856571 385855450 /nfs/dbraw/zinc/85/54/50/385855450.db2.gz JSDLOSZTILKIEX-UHFFFAOYSA-N 0 3 248.330 0.964 20 0 BCADHN COC(=O)[C@@H]1CCN(CC2=CCCOC2)C1 ZINC000271120175 385790051 /nfs/dbraw/zinc/79/00/51/385790051.db2.gz XVVDQKLUYLUYTK-LLVKDONJSA-N 0 3 225.288 0.828 20 0 BCADHN COC[C@H](C)N[C@H](CO)[C@@H]1CCCO1 ZINC000336656865 385791534 /nfs/dbraw/zinc/79/15/34/385791534.db2.gz PALYPYNKXCISFG-AEJSXWLSSA-N 0 3 203.282 0.151 20 0 BCADHN C[C@](O)(CN1CC[C@H](CO)C1)C(F)(F)F ZINC000336709690 385794157 /nfs/dbraw/zinc/79/41/57/385794157.db2.gz SRDQSGJRQRGHLM-YUMQZZPRSA-N 0 3 227.226 0.614 20 0 BCADHN Cn1cc(CN2CCC[C@@H]2CCO)cn1 ZINC000336710565 385796630 /nfs/dbraw/zinc/79/66/30/385796630.db2.gz TYTVAACMFMYSGJ-LLVKDONJSA-N 0 3 209.293 0.767 20 0 BCADHN CC(C)OC[C@H](O)CN(C)CC1(CO)CC1 ZINC000186805013 385797100 /nfs/dbraw/zinc/79/71/00/385797100.db2.gz SWTPGXRTAXBDAM-LLVKDONJSA-N 0 3 231.336 0.477 20 0 BCADHN CCOC[C@@H](O)CNCc1cccn1C ZINC000336709907 385796932 /nfs/dbraw/zinc/79/69/32/385796932.db2.gz SYEZISXVKWUTBU-NSHDSACASA-N 0 3 212.293 0.512 20 0 BCADHN COC[C@@H](O)CN[C@@H](CCO)c1ccccc1 ZINC000272257856 385887544 /nfs/dbraw/zinc/88/75/44/385887544.db2.gz MHIWIXWASGZWCW-STQMWFEESA-N 0 3 239.315 0.707 20 0 BCADHN COC(=O)C1=C(C)O[C@H](CN(C)[C@H](C)CO)C1 ZINC000284915981 385888980 /nfs/dbraw/zinc/88/89/80/385888980.db2.gz VNPZOUFFAKQULM-SCZZXKLOSA-N 0 3 243.303 0.535 20 0 BCADHN CNC(=O)CCCC(=O)N1CCNCC1(C)C ZINC000647841342 385889727 /nfs/dbraw/zinc/88/97/27/385889727.db2.gz MCUZRMQNJUNKMU-UHFFFAOYSA-N 0 3 241.335 0.113 20 0 BCADHN Cc1cc(=O)[nH]cc1C(=O)N1CCNCC1(C)C ZINC000647840989 385889907 /nfs/dbraw/zinc/88/99/07/385889907.db2.gz WWPFEICXQNPHFJ-UHFFFAOYSA-N 0 3 249.314 0.920 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](CC)C(C)(C)O)N(C)C ZINC000413816256 385891393 /nfs/dbraw/zinc/89/13/93/385891393.db2.gz JBVUAWLHCBMZKU-UWVGGRQHSA-N 0 3 230.352 0.992 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CC)C(C)(C)O)N(C)C ZINC000413816258 385891991 /nfs/dbraw/zinc/89/19/91/385891991.db2.gz JBVUAWLHCBMZKU-ZJUUUORDSA-N 0 3 230.352 0.992 20 0 BCADHN CCN1CC[C@H](NC(=O)NC[C@H](C)CO)C1 ZINC000413825971 385895725 /nfs/dbraw/zinc/89/57/25/385895725.db2.gz ACOATKHASOWFEX-UWVGGRQHSA-N 0 3 229.324 0.008 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1CO)N(C)C ZINC000413848871 385898243 /nfs/dbraw/zinc/89/82/43/385898243.db2.gz YJAOTAHZZKENSO-GMTAPVOTSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](CNC(=O)Cc1ccncc1)N(C)C ZINC000272362539 385898232 /nfs/dbraw/zinc/89/82/32/385898232.db2.gz NQGDYWWSKKIETI-SNVBAGLBSA-N 0 3 221.304 0.690 20 0 BCADHN CN(CCc1ccncc1)CCn1cncn1 ZINC000272395908 385900436 /nfs/dbraw/zinc/90/04/36/385900436.db2.gz WBKRHJZCBSEBFH-UHFFFAOYSA-N 0 3 231.303 0.848 20 0 BCADHN CO[C@@H](C(=O)NC(C)(C)CN(C)C)C1CC1 ZINC000413857820 385900920 /nfs/dbraw/zinc/90/09/20/385900920.db2.gz IEJFMLZTWQFPQQ-SNVBAGLBSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H](CNC(=O)c1cnns1)N(C)C ZINC000338139187 385902195 /nfs/dbraw/zinc/90/21/95/385902195.db2.gz MHMHUEOVWLBNBT-ZCFIWIBFSA-N 0 3 214.294 0.218 20 0 BCADHN CCN(C[C@H](C)O)C(=O)N[C@H]1CCN(CC)C1 ZINC000413860640 385902684 /nfs/dbraw/zinc/90/26/84/385902684.db2.gz PAOZGFJQGJCVDY-QWRGUYRKSA-N 0 3 243.351 0.493 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1COCC1(C)C)N(C)C ZINC000413839031 385904412 /nfs/dbraw/zinc/90/44/12/385904412.db2.gz CFTYHOZRUYJAHV-NXEZZACHSA-N 0 3 228.336 0.868 20 0 BCADHN CCC[C@H](O)CN[C@H](C)c1ccc(=O)[nH]n1 ZINC000336741741 385907488 /nfs/dbraw/zinc/90/74/88/385907488.db2.gz RJGQYNDFLXDUQR-BDAKNGLRSA-N 0 3 225.292 0.994 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(Cc2cnc3cnccn23)C1 ZINC000272570884 385914034 /nfs/dbraw/zinc/91/40/34/385914034.db2.gz VYEZWTDOEKJJBO-GHMZBOCLSA-N 0 3 246.314 0.932 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@H](C(=O)OC)C1)N(C)C ZINC000338205591 385915296 /nfs/dbraw/zinc/91/52/96/385915296.db2.gz OLIIECGTVSJGMU-UWVGGRQHSA-N 0 3 242.319 0.348 20 0 BCADHN C[C@H](NC(=O)c1cn[nH]c1)C1=CCN(C)CC1 ZINC000272742897 385929894 /nfs/dbraw/zinc/92/98/94/385929894.db2.gz CZGXWWVQGCWDQJ-VIFPVBQESA-N 0 3 234.303 0.790 20 0 BCADHN NC(=O)N1CCCN(CC[C@H]2CCCO2)CC1 ZINC000189052683 385918784 /nfs/dbraw/zinc/91/87/84/385918784.db2.gz BEOYWIVIDHFCKY-LLVKDONJSA-N 0 3 241.335 0.642 20 0 BCADHN C[C@@H](NC(=O)c1ccn[nH]1)C1=CCN(C)CC1 ZINC000272640979 385919893 /nfs/dbraw/zinc/91/98/93/385919893.db2.gz CPQFVQYKGYKMTA-SECBINFHSA-N 0 3 234.303 0.790 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCN2CCC1CC2 ZINC000335036240 385925279 /nfs/dbraw/zinc/92/52/79/385925279.db2.gz ATPDTEHSCBQQRS-CYBMUJFWSA-N 0 3 239.363 0.811 20 0 BCADHN NCC(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000335036679 385926663 /nfs/dbraw/zinc/92/66/63/385926663.db2.gz BAIHHQIPBFTPKR-UHFFFAOYSA-N 0 3 240.690 0.850 20 0 BCADHN CO[C@]1(C)C[C@@H](NC(=O)[C@H](C)N)C1(C)C ZINC000121682007 385860776 /nfs/dbraw/zinc/86/07/76/385860776.db2.gz GTYLLGPIQGQISS-VAOFZXAKSA-N 0 3 214.309 0.653 20 0 BCADHN CC[C@@H](C(=O)N[C@](C)(CC)CCO)N(C)C ZINC000413698849 385863784 /nfs/dbraw/zinc/86/37/84/385863784.db2.gz QGXVOHPEAHDWAN-CMPLNLGQSA-N 0 3 230.352 0.994 20 0 BCADHN CN(C)CCNC(=O)c1ccc2cncn2c1 ZINC000284348945 385864489 /nfs/dbraw/zinc/86/44/89/385864489.db2.gz NUNZAHGZSMORJR-UHFFFAOYSA-N 0 3 232.287 0.626 20 0 BCADHN CN1C[C@H]2CCN(Cc3cc[nH]n3)[C@@H]2C1 ZINC000644840522 385869064 /nfs/dbraw/zinc/86/90/64/385869064.db2.gz KWSKQCXGHSHOAG-MWLCHTKSSA-N 0 3 206.293 0.546 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)CCn1cccn1 ZINC000262708662 385876780 /nfs/dbraw/zinc/87/67/80/385876780.db2.gz OJKTVEGYWVAFDP-LBPRGKRZSA-N 0 3 238.335 0.859 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000284621516 385877214 /nfs/dbraw/zinc/87/72/14/385877214.db2.gz QRARWRWEWFYPAJ-NXEZZACHSA-N 0 3 235.287 0.409 20 0 BCADHN C[C@@H]1C[C@@H](CNC(=O)NCCN(C)C)[C@H](C)O1 ZINC000413750816 385878558 /nfs/dbraw/zinc/87/85/58/385878558.db2.gz LOXFUHCZFCVJAY-VWYCJHECSA-N 0 3 243.351 0.661 20 0 BCADHN C[C@@H]1C[C@@H](CNC(=O)NCCN(C)C)[C@@H](C)O1 ZINC000413750814 385878570 /nfs/dbraw/zinc/87/85/70/385878570.db2.gz LOXFUHCZFCVJAY-MXWKQRLJSA-N 0 3 243.351 0.661 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@H](C)C(=O)OC)N(C)C ZINC000413769583 385879563 /nfs/dbraw/zinc/87/95/63/385879563.db2.gz RAEHTABVURDOLJ-BDAKNGLRSA-N 0 3 230.308 0.347 20 0 BCADHN Cc1c[nH]nc1CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000644842133 385883420 /nfs/dbraw/zinc/88/34/20/385883420.db2.gz VPIOHNYJONBMOC-ZYHUDNBSSA-N 0 3 220.320 0.854 20 0 BCADHN C[C@@H]1CC[C@H](C)CN1C(=O)C(=O)N(C)CCN ZINC000335019670 385977192 /nfs/dbraw/zinc/97/71/92/385977192.db2.gz ROHZHFFGJNEECA-VHSXEESVSA-N 0 3 241.335 0.051 20 0 BCADHN CNc1ccc(NC(=O)C(C)(C)N)cn1 ZINC000295142245 385977486 /nfs/dbraw/zinc/97/74/86/385977486.db2.gz ZYZDSQIIYYOXAN-UHFFFAOYSA-N 0 3 208.265 0.799 20 0 BCADHN CCN(CCO)CCNCc1c(C)cnn1C ZINC000285921280 385977907 /nfs/dbraw/zinc/97/79/07/385977907.db2.gz LGIRSNWFGTWUJR-UHFFFAOYSA-N 0 3 240.351 0.132 20 0 BCADHN COCC[C@H](NC[C@@H](O)COC)c1ccco1 ZINC000273219332 385978990 /nfs/dbraw/zinc/97/89/90/385978990.db2.gz CWDMXEGAZUEVNC-MNOVXSKESA-N 0 3 243.303 0.954 20 0 BCADHN Cc1cc(CNCCCOCCO)on1 ZINC000309127177 385984391 /nfs/dbraw/zinc/98/43/91/385984391.db2.gz WRXUBORCNANFCQ-UHFFFAOYSA-N 0 3 214.265 0.472 20 0 BCADHN CNC(=O)[C@H]1CCCN1C[C@@H](OC)C1CC1 ZINC000425411557 385986951 /nfs/dbraw/zinc/98/69/51/385986951.db2.gz YLDFKMZFTIJPHV-GHMZBOCLSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1CN(C(=O)NCCN(C)C2CC2)CCO1 ZINC000345076883 385986976 /nfs/dbraw/zinc/98/69/76/385986976.db2.gz RCUTXNKOYODJFR-JTQLQIEISA-N 0 3 241.335 0.511 20 0 BCADHN C[C@H]1[C@H](NCc2cc[nH]n2)CCCN1C ZINC000336748770 385987982 /nfs/dbraw/zinc/98/79/82/385987982.db2.gz DSFJUYJCCCRXGR-GXSJLCMTSA-N 0 3 208.309 0.982 20 0 BCADHN C[C@H](CNC(=O)c1ccc2nc[nH]c2n1)N(C)C ZINC000273368036 385992110 /nfs/dbraw/zinc/99/21/10/385992110.db2.gz KMEYMEKYZFECCO-MRVPVSSYSA-N 0 3 247.302 0.638 20 0 BCADHN Cc1cc(=O)c(C(=O)NC[C@@H](C)N(C)C)c[nH]1 ZINC000219501243 385935707 /nfs/dbraw/zinc/93/57/07/385935707.db2.gz BUTVWSZHIJWMQV-SECBINFHSA-N 0 3 237.303 0.363 20 0 BCADHN CC[C@H](N)C(=O)NCC[C@H](O)C(C)C ZINC000336746388 385937252 /nfs/dbraw/zinc/93/72/52/385937252.db2.gz BWSZKYSAGQWOMU-IUCAKERBSA-N 0 3 202.298 0.247 20 0 BCADHN CO[C@@H](CN1CCNC(=O)CC1)C1CC1 ZINC000425392666 385942940 /nfs/dbraw/zinc/94/29/40/385942940.db2.gz HIXQYHFVQCIXKR-JTQLQIEISA-N 0 3 212.293 0.233 20 0 BCADHN Cn1cc(CNC[C@]2(C)CCOC2)cn1 ZINC000336742405 385949945 /nfs/dbraw/zinc/94/99/45/385949945.db2.gz WZDNKRITJWQQDZ-NSHDSACASA-N 0 3 209.293 0.936 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCN2CCC1CC2 ZINC000335053887 385953837 /nfs/dbraw/zinc/95/38/37/385953837.db2.gz STRFJECBHSJFTQ-SNVBAGLBSA-N 0 3 237.347 0.434 20 0 BCADHN C[C@H](CO)[C@H](C)NC(=O)C12CCCN1CCC2 ZINC000366001581 385957475 /nfs/dbraw/zinc/95/74/75/385957475.db2.gz JYJOETXMJDDYCW-MNOVXSKESA-N 0 3 240.347 0.748 20 0 BCADHN CCOC[C@@H]1CCCN([C@@H](C)C(N)=O)C1 ZINC000072976663 385964298 /nfs/dbraw/zinc/96/42/98/385964298.db2.gz ADRDCEWYBRTRDQ-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN COC(=O)CC1(NCC(=O)N(C)C)CCCC1 ZINC000338335119 385970910 /nfs/dbraw/zinc/97/09/10/385970910.db2.gz TUEVUEYVDZTUHN-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN COC[C@H](O)CN[C@@H](CO)c1ccc(F)cc1 ZINC000273131690 385971455 /nfs/dbraw/zinc/97/14/55/385971455.db2.gz RQRHEHWKDQCFRX-NEPJUHHUSA-N 0 3 243.278 0.456 20 0 BCADHN Cc1ncc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)[nH]1 ZINC000335016538 385973682 /nfs/dbraw/zinc/97/36/82/385973682.db2.gz BIUPQGWAEVTHAC-RKDXNWHRSA-N 0 3 236.319 0.883 20 0 BCADHN COCCOCCCNCc1snnc1C ZINC000309257292 385997121 /nfs/dbraw/zinc/99/71/21/385997121.db2.gz GVJJPQNRYJEEOZ-UHFFFAOYSA-N 0 3 245.348 0.989 20 0 BCADHN Cc1cnn(C)c1CN[C@]1(CCO)CCOC1 ZINC000286122542 385997559 /nfs/dbraw/zinc/99/75/59/385997559.db2.gz UWXHJXDWJWHHPG-GFCCVEGCSA-N 0 3 239.319 0.360 20 0 BCADHN CCC[C@](C)(O)CN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000286144025 386000384 /nfs/dbraw/zinc/00/03/84/386000384.db2.gz PAZIONAONCGPFK-CABZTGNLSA-N 0 3 239.319 0.972 20 0 BCADHN CCN(CCNC(=O)c1cncnc1C)C1CC1 ZINC000338450324 386004425 /nfs/dbraw/zinc/00/44/25/386004425.db2.gz BLCSRMZWVUYJEK-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN CCN1CCC(NC(=O)NC[C@@H](C)O)CC1 ZINC000408399269 386005366 /nfs/dbraw/zinc/00/53/66/386005366.db2.gz GIBCTCHTLFZZBV-SECBINFHSA-N 0 3 229.324 0.151 20 0 BCADHN COC[C@H]1CCN1C(=O)CC1CCN(C)CC1 ZINC000354047361 386005500 /nfs/dbraw/zinc/00/55/00/386005500.db2.gz KMGKSPZDAZOTDG-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](N)C(=O)NCC(C)(C)C[C@H](C)O ZINC000336751707 386010551 /nfs/dbraw/zinc/01/05/51/386010551.db2.gz GQMWZMNAEYFJEK-JGVFFNPUSA-N 0 3 202.298 0.247 20 0 BCADHN CC(C)[C@H](CCO)NCC(=O)N1CCCC1 ZINC000161921188 386012823 /nfs/dbraw/zinc/01/28/23/386012823.db2.gz OHWQLBVBHBUEPW-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2cncnc2)C1 ZINC000273597172 386013290 /nfs/dbraw/zinc/01/32/90/386013290.db2.gz DXFPDNUBLLCZQP-NSHDSACASA-N 0 3 234.303 0.643 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2cncnc2)C1 ZINC000273597171 386013427 /nfs/dbraw/zinc/01/34/27/386013427.db2.gz DXFPDNUBLLCZQP-LLVKDONJSA-N 0 3 234.303 0.643 20 0 BCADHN COC(=O)[C@H](C)CC(=O)NC[C@@H](C)N(C)C ZINC000353492551 386018113 /nfs/dbraw/zinc/01/81/13/386018113.db2.gz LYLAZEQWXRJNJG-RKDXNWHRSA-N 0 3 230.308 0.252 20 0 BCADHN COC[C@@H](O)CNCc1cnc2cc(C)ccn12 ZINC000338485624 386018377 /nfs/dbraw/zinc/01/83/77/386018377.db2.gz XFXNGBKUQBOIPW-LBPRGKRZSA-N 0 3 249.314 0.740 20 0 BCADHN CO[C@H](C)CCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417463799 386018841 /nfs/dbraw/zinc/01/88/41/386018841.db2.gz POHYQVNHLUZQSH-VWYCJHECSA-N 0 3 243.351 0.803 20 0 BCADHN CN(C[C@@H]1CN(C)C(=O)O1)[C@H]1CCSC1 ZINC000496908530 386021995 /nfs/dbraw/zinc/02/19/95/386021995.db2.gz KCVYNCJNZAITLU-DTWKUNHWSA-N 0 3 230.333 0.874 20 0 BCADHN CN(C[C@@H]1CN(C)C(=O)O1)[C@@H]1CCSC1 ZINC000496908532 386022669 /nfs/dbraw/zinc/02/26/69/386022669.db2.gz KCVYNCJNZAITLU-RKDXNWHRSA-N 0 3 230.333 0.874 20 0 BCADHN CCOC[C@H](C)N[C@H](C)C(=O)NCCF ZINC000336771086 386025432 /nfs/dbraw/zinc/02/54/32/386025432.db2.gz WILKSFVPGMGSBE-DTWKUNHWSA-N 0 3 220.288 0.475 20 0 BCADHN COCCNC(=O)C1(NC2CC(C)C2)CC1 ZINC000414183992 386025509 /nfs/dbraw/zinc/02/55/09/386025509.db2.gz NBTIGBGNXPPWJX-UHFFFAOYSA-N 0 3 226.320 0.670 20 0 BCADHN CN(CCN1CCCCC1)[C@@H]1CCNC1=O ZINC000340227409 386026552 /nfs/dbraw/zinc/02/65/52/386026552.db2.gz YLFHZXOMEXVKCW-LLVKDONJSA-N 0 3 225.336 0.293 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)[C@@H]1CCCOC1 ZINC000335062025 386030312 /nfs/dbraw/zinc/03/03/12/386030312.db2.gz IIXBSVLQHUZAJB-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN COC[C@H](N[C@@H]1COC[C@@H]1OC)C(C)C ZINC000414190375 386031019 /nfs/dbraw/zinc/03/10/19/386031019.db2.gz TYTHUQPMMDOXCG-AXFHLTTASA-N 0 3 217.309 0.661 20 0 BCADHN CO[C@H](CN1CCN(C[C@H](C)O)CC1)C1CC1 ZINC000425429889 386031046 /nfs/dbraw/zinc/03/10/46/386031046.db2.gz BSMIZSBCVLIILP-WCQYABFASA-N 0 3 242.363 0.410 20 0 BCADHN COC[C@](C)(CCO)NCc1c(C)cnn1C ZINC000286380218 386031209 /nfs/dbraw/zinc/03/12/09/386031209.db2.gz GQJHKTNTSKTFEG-LBPRGKRZSA-N 0 3 241.335 0.606 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@@]1(C)CCCO1 ZINC000162305470 386057019 /nfs/dbraw/zinc/05/70/19/386057019.db2.gz KTRPLCRLPHHEIL-WDEREUQCSA-N 0 3 249.376 0.968 20 0 BCADHN CCC1(CN[C@@H](C)CS(C)(=O)=O)COC1 ZINC000336771459 386039675 /nfs/dbraw/zinc/03/96/75/386039675.db2.gz WTRFBRMRKOTUPI-VIFPVBQESA-N 0 3 235.349 0.436 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)c1nnc(C)[nH]1 ZINC000286473518 386044675 /nfs/dbraw/zinc/04/46/75/386044675.db2.gz ULKBOFFNQSLDAQ-MRVPVSSYSA-N 0 3 239.323 0.632 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CCC[C@H]1CCO ZINC000303740619 386046571 /nfs/dbraw/zinc/04/65/71/386046571.db2.gz DHRRIKAFCMKEJE-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN COc1nccnc1CNC[C@@H](C)N(C)C ZINC000295530895 386047556 /nfs/dbraw/zinc/04/75/56/386047556.db2.gz WOHURZNVNUSJQR-SECBINFHSA-N 0 3 224.308 0.525 20 0 BCADHN CCN(C[C@@H]1CCS(=O)(=O)C1)CC(C)(C)O ZINC000408400157 386047948 /nfs/dbraw/zinc/04/79/48/386047948.db2.gz PEJVHVXZGSEXSM-JTQLQIEISA-N 0 3 249.376 0.514 20 0 BCADHN CO[C@@]1(CNCc2n[nH]cc2C)CCOC1 ZINC000336771557 386049442 /nfs/dbraw/zinc/04/94/42/386049442.db2.gz UQUDWRIZIFYJBO-LLVKDONJSA-N 0 3 225.292 0.613 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C)nn1C ZINC000074685161 386051274 /nfs/dbraw/zinc/05/12/74/386051274.db2.gz DFNNFLZXPRYCNH-UHFFFAOYSA-N 0 3 210.281 0.020 20 0 BCADHN COC(=O)C(C)(C)CCN1C[C@H](O)C[C@H]1CO ZINC000338564002 386053731 /nfs/dbraw/zinc/05/37/31/386053731.db2.gz FGBZIXCAWRJCRL-VHSXEESVSA-N 0 3 245.319 0.003 20 0 BCADHN CO[C@H](CN1CC[C@@H](C)C[C@@H]1C(N)=O)C1CC1 ZINC000425435092 386054041 /nfs/dbraw/zinc/05/40/41/386054041.db2.gz RRGGTXWCPXSXIA-YUSALJHKSA-N 0 3 240.347 0.997 20 0 BCADHN COC(=O)CNC(=O)CN(C)[C@H](C)C(C)C ZINC000338409260 385996669 /nfs/dbraw/zinc/99/66/69/385996669.db2.gz NXQHIAUSDWHGCA-SECBINFHSA-N 0 3 230.308 0.252 20 0 BCADHN C[C@H](C(=O)N[C@@H](C)CN(C)C)n1cccn1 ZINC000287191594 386101764 /nfs/dbraw/zinc/10/17/64/386101764.db2.gz MIBQGRKGSYTMCP-VHSXEESVSA-N 0 3 224.308 0.510 20 0 BCADHN CC(C)[C@H](O)CC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345315497 386102476 /nfs/dbraw/zinc/10/24/76/386102476.db2.gz IZFKVRRUMVBFEA-GRYCIOLGSA-N 0 3 242.363 0.992 20 0 BCADHN COC[C@H](CO)N[C@@H]1CCCc2c1cnn2C ZINC000234832374 386102510 /nfs/dbraw/zinc/10/25/10/386102510.db2.gz GAVQLAMMCQWFNO-GXSJLCMTSA-N 0 3 239.319 0.394 20 0 BCADHN CCOC(=O)CC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345317118 386103029 /nfs/dbraw/zinc/10/30/29/386103029.db2.gz JXRPCXKSTIVZHM-UWVGGRQHSA-N 0 3 242.319 0.539 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000345314496 386103213 /nfs/dbraw/zinc/10/32/13/386103213.db2.gz RLJDWXZFHDHAPG-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN CSC[C@H](C)NC(=O)C(N)C(F)(F)F ZINC000336773502 386104581 /nfs/dbraw/zinc/10/45/81/386104581.db2.gz YTXUIAGLYMDDDE-WHFBIAKZSA-N 0 3 230.255 0.744 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCc1c[nH]cn1 ZINC000287251892 386106660 /nfs/dbraw/zinc/10/66/60/386106660.db2.gz QYEPZYQKFHUVID-VIFPVBQESA-N 0 3 224.308 0.409 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(Cc2cccc(C(N)=O)c2)C1 ZINC000162749727 386108261 /nfs/dbraw/zinc/10/82/61/386108261.db2.gz PDFUQURGXOWONM-ZWNOBZJWSA-N 0 3 248.326 0.988 20 0 BCADHN Cn1cncc1CNC[C@@]1(C)CCOC1 ZINC000336729250 386109676 /nfs/dbraw/zinc/10/96/76/386109676.db2.gz IWCZVDVDNBLJQZ-LLVKDONJSA-N 0 3 209.293 0.936 20 0 BCADHN COCCCN(CCO)C[C@H]1CCCCO1 ZINC000189871546 386110153 /nfs/dbraw/zinc/11/01/53/386110153.db2.gz CPMVPDMXNGBOMQ-GFCCVEGCSA-N 0 3 231.336 0.886 20 0 BCADHN COCCNCCNCc1c(Cl)cnn1C ZINC000414889452 386113579 /nfs/dbraw/zinc/11/35/79/386113579.db2.gz SUYZXXCEBQEZKI-UHFFFAOYSA-N 0 3 246.742 0.399 20 0 BCADHN COC(=O)c1ccc(CNC[C@@H](C)OC)[nH]1 ZINC000223948818 386113747 /nfs/dbraw/zinc/11/37/47/386113747.db2.gz BSWIGTMHNRPCFA-MRVPVSSYSA-N 0 3 226.276 0.926 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@@H]2CCCN2C)C1 ZINC000525804007 386114091 /nfs/dbraw/zinc/11/40/91/386114091.db2.gz FJZVFBNTKQUUOJ-NEPJUHHUSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCc1cnccn1 ZINC000287347326 386114750 /nfs/dbraw/zinc/11/47/50/386114750.db2.gz ZIEOWPFQQHQJHX-JTQLQIEISA-N 0 3 236.319 0.476 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@@H]2CCCN2C)C1 ZINC000525804009 386115056 /nfs/dbraw/zinc/11/50/56/386115056.db2.gz FJZVFBNTKQUUOJ-RYUDHWBXSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@H]2CCCN2C)C1 ZINC000525804008 386115616 /nfs/dbraw/zinc/11/56/16/386115616.db2.gz FJZVFBNTKQUUOJ-NWDGAFQWSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@@H](CCn1cccn1)NCc1cnnn1C ZINC000287367665 386117296 /nfs/dbraw/zinc/11/72/96/386117296.db2.gz OOABLVAIVCBFEC-JTQLQIEISA-N 0 3 234.307 0.580 20 0 BCADHN COCC[NH2+]CCNCc1cc([O-])cc(F)c1 ZINC000414889528 386117525 /nfs/dbraw/zinc/11/75/25/386117525.db2.gz TUCKTLDIRNNAIK-UHFFFAOYSA-N 0 3 242.294 0.857 20 0 BCADHN c1ncc(CNC[C@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000112839228 386119764 /nfs/dbraw/zinc/11/97/64/386119764.db2.gz FSEUEYBSKNLKPU-OLZOCXBDSA-N 0 3 248.330 0.429 20 0 BCADHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC(=O)NC2)n1 ZINC000112839986 386120426 /nfs/dbraw/zinc/12/04/26/386120426.db2.gz PBPQNFTWIVNBNR-VIFPVBQESA-N 0 3 235.287 0.464 20 0 BCADHN C[C@H](N[C@H]1C=C[C@@H](CO)C1)c1cn[nH]c1 ZINC000340524229 386121038 /nfs/dbraw/zinc/12/10/38/386121038.db2.gz GUSREKIPTIOUTK-NGZCFLSTSA-N 0 3 207.277 0.997 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@H]1CCCOC1 ZINC000038046085 386121616 /nfs/dbraw/zinc/12/16/16/386121616.db2.gz QQGHXOMAPQMIMR-NXEZZACHSA-N 0 3 214.309 0.513 20 0 BCADHN CCc1cccc(NC(=O)C(=O)N[C@@H](C)CN)c1 ZINC000415656517 386121805 /nfs/dbraw/zinc/12/18/05/386121805.db2.gz PGXCPCIODZZYTB-VIFPVBQESA-N 0 3 249.314 0.651 20 0 BCADHN CC(C)[C@](C)(O)CN[C@H](C)CS(C)(=O)=O ZINC000162255468 386059501 /nfs/dbraw/zinc/05/95/01/386059501.db2.gz KIVNFNQDDGDOID-NXEZZACHSA-N 0 3 237.365 0.416 20 0 BCADHN Cc1[nH]ncc1CN1CC[S@@](=O)[C@@H](C)C1 ZINC000334436059 386059953 /nfs/dbraw/zinc/05/99/53/386059953.db2.gz PMPUOLVTTUEZNB-VXJOIVPMSA-N 0 3 227.333 0.671 20 0 BCADHN Cc1oncc1CN(C)CC1(O)CCOCC1 ZINC000189687013 386060555 /nfs/dbraw/zinc/06/05/55/386060555.db2.gz DJFOLXCAONKYRS-UHFFFAOYSA-N 0 3 240.303 0.956 20 0 BCADHN O=C([C@@H]1CN2CCN1CCC2)N1CC(C2CC2)C1 ZINC000643290538 386060943 /nfs/dbraw/zinc/06/09/43/386060943.db2.gz OWEHEMARJABZIY-ZDUSSCGKSA-N 0 3 249.358 0.245 20 0 BCADHN CO[C@H](CN1C[C@H](OC)[C@@H](OC)C1)C1CC1 ZINC000425437831 386061725 /nfs/dbraw/zinc/06/17/25/386061725.db2.gz BYYUVHYBHUZUAF-WOPDTQHZSA-N 0 3 229.320 0.757 20 0 BCADHN CC[C@@H]1CN([C@@H]2CCN(C)C2=O)CCCO1 ZINC000334442888 386063914 /nfs/dbraw/zinc/06/39/14/386063914.db2.gz DERNADQZJQSWKV-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H]1CCCOC1 ZINC000038046173 386122039 /nfs/dbraw/zinc/12/20/39/386122039.db2.gz LINZUCXUXPIRKR-DTWKUNHWSA-N 0 3 200.282 0.267 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1cncnc1 ZINC000274037000 386065172 /nfs/dbraw/zinc/06/51/72/386065172.db2.gz XMBQPEMTKNBBKS-LLVKDONJSA-N 0 3 234.303 0.691 20 0 BCADHN CCN(C[C@@H](OC)C1CC1)[C@@H]1CCNC1=O ZINC000425438935 386066008 /nfs/dbraw/zinc/06/60/08/386066008.db2.gz BLQPIRCPUPVUSX-GHMZBOCLSA-N 0 3 226.320 0.622 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1CCCOC1 ZINC000335073318 386066928 /nfs/dbraw/zinc/06/69/28/386066928.db2.gz RNDONZAWUKIUOQ-MNOVXSKESA-N 0 3 238.331 0.766 20 0 BCADHN COCCNC(=O)C1(N[C@@H](C)C2CC2)CC1 ZINC000414213478 386068328 /nfs/dbraw/zinc/06/83/28/386068328.db2.gz RGYSQDYYWFEACF-VIFPVBQESA-N 0 3 226.320 0.670 20 0 BCADHN CCCCCC[C@H](O)CN1C[C@@H](O)C[C@H]1CO ZINC000365377736 386068901 /nfs/dbraw/zinc/06/89/01/386068901.db2.gz IDFPMFJXAZKDGD-AVGNSLFASA-N 0 3 245.363 0.745 20 0 BCADHN C[C@@H]1CN(Cc2nccn2C)[C@@H](C)CN1C ZINC000334441489 386070261 /nfs/dbraw/zinc/07/02/61/386070261.db2.gz LGCHMINGJPMPIK-MNOVXSKESA-N 0 3 222.336 0.945 20 0 BCADHN CCN(CC(N)=O)C[C@H]1CCCOC1 ZINC000355353156 386074565 /nfs/dbraw/zinc/07/45/65/386074565.db2.gz IPUKUWCQKYAWIZ-SECBINFHSA-N 0 3 200.282 0.220 20 0 BCADHN C[C@@H](CNC(=O)C[C@H]1CCCC(=O)N1)N(C)C ZINC000345235667 386075749 /nfs/dbraw/zinc/07/57/49/386075749.db2.gz WQVYDZJKBYBZTC-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CCCN(CC(C)C)C(=O)CN1CCNCC1 ZINC000310076716 386077285 /nfs/dbraw/zinc/07/72/85/386077285.db2.gz BIJUAIMEVRCKFH-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN Cc1cc(C(=O)N[C@@H](C)CN(C)C)cc(=O)[nH]1 ZINC000286878799 386081083 /nfs/dbraw/zinc/08/10/83/386081083.db2.gz FBBOZBFTETUKDF-VIFPVBQESA-N 0 3 237.303 0.776 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccc[nH]c1=O ZINC000286881725 386081424 /nfs/dbraw/zinc/08/14/24/386081424.db2.gz FGUJIBZLVBVPNW-QMMMGPOBSA-N 0 3 223.276 0.467 20 0 BCADHN COCCO[C@H]1CCN(CCC(=O)OC)C1 ZINC000189724387 386081974 /nfs/dbraw/zinc/08/19/74/386081974.db2.gz KOFQUGGXSADLMF-JTQLQIEISA-N 0 3 231.292 0.287 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccc(F)cn1 ZINC000286903927 386083592 /nfs/dbraw/zinc/08/35/92/386083592.db2.gz HCBPUQHDOPDDOW-QMMMGPOBSA-N 0 3 225.267 0.901 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccc2nc[nH]c2n1 ZINC000286923769 386083665 /nfs/dbraw/zinc/08/36/65/386083665.db2.gz IOZOQRSDVVXWSI-QMMMGPOBSA-N 0 3 247.302 0.638 20 0 BCADHN Cc1nnc(CSCCN(C)C)[nH]1 ZINC000336642708 386084846 /nfs/dbraw/zinc/08/48/46/386084846.db2.gz AEODFJATOZYIMB-UHFFFAOYSA-N 0 3 200.311 0.908 20 0 BCADHN CO[C@H](CN)C(=O)Nc1nnc(C(C)C)s1 ZINC000353180033 386085133 /nfs/dbraw/zinc/08/51/33/386085133.db2.gz COVYZYISTHTLNJ-ZCFIWIBFSA-N 0 3 244.320 0.574 20 0 BCADHN C[C@H](CN1CC[C@@H](C)[C@H]1CO)CS(C)(=O)=O ZINC000189746735 386085685 /nfs/dbraw/zinc/08/56/85/386085685.db2.gz TVQVLDZQOYLGMJ-GMTAPVOTSA-N 0 3 249.376 0.370 20 0 BCADHN O=C([C@H]1CCCN1C1CCCC1)N1CC(O)C1 ZINC000334449331 386086731 /nfs/dbraw/zinc/08/67/31/386086731.db2.gz PTLCIIMSMHWMRD-GFCCVEGCSA-N 0 3 238.331 0.597 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cncc(F)c1 ZINC000286944436 386086782 /nfs/dbraw/zinc/08/67/82/386086782.db2.gz KDVUNGYEAWTLSN-QMMMGPOBSA-N 0 3 225.267 0.901 20 0 BCADHN CCN(C[C@@H](O)COC(C)C)[C@H]1CCOC1 ZINC000336642728 386087311 /nfs/dbraw/zinc/08/73/11/386087311.db2.gz AAUJGACQYKILBW-NWDGAFQWSA-N 0 3 231.336 0.883 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1ccnn1C ZINC000338729593 386122853 /nfs/dbraw/zinc/12/28/53/386122853.db2.gz GBAGUYSDMKMFDB-UHFFFAOYSA-N 0 3 224.308 0.490 20 0 BCADHN CCOC[C@@H](N[C@H]1CCNC1=O)C(C)C ZINC000189794541 386088601 /nfs/dbraw/zinc/08/86/01/386088601.db2.gz SECKSXUMOFWDJN-VHSXEESVSA-N 0 3 214.309 0.526 20 0 BCADHN CCN(CCO)CCNCc1c(C)n[nH]c1C ZINC000274377775 386095949 /nfs/dbraw/zinc/09/59/49/386095949.db2.gz IDJVUGWCRYRNKK-UHFFFAOYSA-N 0 3 240.351 0.430 20 0 BCADHN C[C@@H](Cn1cccn1)NC[C@@H](O)c1cccnc1 ZINC000274389634 386096319 /nfs/dbraw/zinc/09/63/19/386096319.db2.gz CSSGSBUUAXTEBG-WCQYABFASA-N 0 3 246.314 0.990 20 0 BCADHN CC(=O)c1ccc(C(=O)N[C@H](C)CN)cc1 ZINC000274386624 386097079 /nfs/dbraw/zinc/09/70/79/386097079.db2.gz CDOCHNHPSLPGDC-MRVPVSSYSA-N 0 3 220.272 0.966 20 0 BCADHN C[C@@H](O)CCN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000425478833 386149409 /nfs/dbraw/zinc/14/94/09/386149409.db2.gz NFBFRDXUOKLVHN-UTUOFQBUSA-N 0 3 228.336 0.162 20 0 BCADHN CCN(C)CCNC(=O)CCOCC(F)F ZINC000338817387 386151618 /nfs/dbraw/zinc/15/16/18/386151618.db2.gz WKWAWSYLINCLIZ-UHFFFAOYSA-N 0 3 238.278 0.726 20 0 BCADHN CC[C@@H](C)NC(=O)CN[C@@](C)(CO)C(C)C ZINC000336730018 386152186 /nfs/dbraw/zinc/15/21/86/386152186.db2.gz IALFUGASXQEPHV-PWSUYJOCSA-N 0 3 230.352 0.898 20 0 BCADHN CN1CCC[C@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000334476057 386154087 /nfs/dbraw/zinc/15/40/87/386154087.db2.gz OLNYYAOQUAVMJR-JQWIXIFHSA-N 0 3 237.347 0.434 20 0 BCADHN CN1CCC[C@H](NC2CSC2)C1=O ZINC000575572595 386154254 /nfs/dbraw/zinc/15/42/54/386154254.db2.gz ROVJOUKCSAZJPB-QMMMGPOBSA-N 0 3 200.307 0.312 20 0 BCADHN Cc1noc(CCCNC(=O)[C@H](N)C(C)C)n1 ZINC000353579135 386154372 /nfs/dbraw/zinc/15/43/72/386154372.db2.gz KHAQFHKJYPJQDC-SNVBAGLBSA-N 0 3 240.307 0.410 20 0 BCADHN CC[C@@H](CO)N(C)C(=O)/C=C/CN(C)C ZINC000296257469 386155003 /nfs/dbraw/zinc/15/50/03/386155003.db2.gz XWWVFIXBPKUZNU-FGEFZZPRSA-N 0 3 214.309 0.334 20 0 BCADHN CC[C@H](O)CCCNC(=O)[C@H](CC)N(C)C ZINC000338960681 386190104 /nfs/dbraw/zinc/19/01/04/386190104.db2.gz GZFBTQYNKMAJJM-QWRGUYRKSA-N 0 3 230.352 0.994 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C1CCC(=O)CC1 ZINC000346172661 386158747 /nfs/dbraw/zinc/15/87/47/386158747.db2.gz XBQCFCCYKCEWQO-VIFPVBQESA-N 0 3 226.320 0.812 20 0 BCADHN CO[C@H](C)CCNC(=O)NC[C@@H]1CCCN1C ZINC000338845307 386159295 /nfs/dbraw/zinc/15/92/95/386159295.db2.gz SJWLUNPRTIUTFG-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN CO[C@H](C)CCNC(=O)NC[C@H]1CCCN1C ZINC000338845306 386159360 /nfs/dbraw/zinc/15/93/60/386159360.db2.gz SJWLUNPRTIUTFG-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C1(O)CCCCC1 ZINC000346172710 386159598 /nfs/dbraw/zinc/15/95/98/386159598.db2.gz XEYVHTMILNFHJH-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN C[C@H](CN(C)C)NC(=O)Cc1ccoc1 ZINC000346174274 386159954 /nfs/dbraw/zinc/15/99/54/386159954.db2.gz XUEUDRGPLCYXSA-SECBINFHSA-N 0 3 210.277 0.888 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000346178569 386160534 /nfs/dbraw/zinc/16/05/34/386160534.db2.gz LMISGIKELAEKHT-KXUCPTDWSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@H](O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000336045578 386161430 /nfs/dbraw/zinc/16/14/30/386161430.db2.gz CJKBYTCAPDJUPY-UWVGGRQHSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](CN(C)C)NC(=O)COC(F)F ZINC000346130788 386162876 /nfs/dbraw/zinc/16/28/76/386162876.db2.gz HCGUIAIDBIBVGV-ZCFIWIBFSA-N 0 3 210.224 0.292 20 0 BCADHN COC(=O)[C@H](C)CC(=O)N[C@@H](C)CN(C)C ZINC000346135174 386163280 /nfs/dbraw/zinc/16/32/80/386163280.db2.gz CQKFSPSWSXVRHN-BDAKNGLRSA-N 0 3 230.308 0.252 20 0 BCADHN C([C@@H]1CCOC1)N1CCO[C@@]2(CCOC2)C1 ZINC000346132905 386163744 /nfs/dbraw/zinc/16/37/44/386163744.db2.gz ALXBHPODBPECQX-RYUDHWBXSA-N 0 3 227.304 0.514 20 0 BCADHN CC[C@@H](N)c1cn(CCn2cc(C)cn2)nn1 ZINC000310213473 386164906 /nfs/dbraw/zinc/16/49/06/386164906.db2.gz HDAUZFQWZRIULC-SNVBAGLBSA-N 0 3 234.307 0.893 20 0 BCADHN CO[C@H](C)CCC(=O)N[C@@H](C)CN(C)C ZINC000346136083 386165459 /nfs/dbraw/zinc/16/54/59/386165459.db2.gz DIORKHSNOPAXHC-VHSXEESVSA-N 0 3 216.325 0.868 20 0 BCADHN CC[C@@H](C)OCC(=O)N[C@H](C)CN(C)C ZINC000346143132 386166431 /nfs/dbraw/zinc/16/64/31/386166431.db2.gz SPIIPFVXRZYXDQ-NXEZZACHSA-N 0 3 216.325 0.868 20 0 BCADHN C[C@H](CN(C)C)NC(=O)C[C@H]1CCCC[C@H]1O ZINC000346141251 386166578 /nfs/dbraw/zinc/16/65/78/386166578.db2.gz QNZNEFIYOHBWCB-IJLUTSLNSA-N 0 3 242.363 0.994 20 0 BCADHN CCN(C)CCNC(=O)C1CCC(=O)CC1 ZINC000346145702 386168157 /nfs/dbraw/zinc/16/81/57/386168157.db2.gz INANXKQPWNVFKT-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN CCOCCOCC(=O)N[C@@H](C)CN(C)C ZINC000346145207 386168883 /nfs/dbraw/zinc/16/88/83/386168883.db2.gz UTNJUSPHASUEQN-JTQLQIEISA-N 0 3 232.324 0.106 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@@H](O)C(C)(C)C1 ZINC000303799143 386169483 /nfs/dbraw/zinc/16/94/83/386169483.db2.gz ZMZOSRQSSDMHEG-NXEZZACHSA-N 0 3 228.336 0.556 20 0 BCADHN CCOC[C@@H](O)CN1CCN(CC2CC2)CC1 ZINC000069276961 386169887 /nfs/dbraw/zinc/16/98/87/386169887.db2.gz GMEROWJIWJTQQY-ZDUSSCGKSA-N 0 3 242.363 0.411 20 0 BCADHN CCO[C@H](C)C(=O)N[C@H](C)CN(C)C ZINC000346160985 386170979 /nfs/dbraw/zinc/17/09/79/386170979.db2.gz FHXXBELARQRVRK-RKDXNWHRSA-N 0 3 202.298 0.478 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1ccnn1C ZINC000263912725 386190973 /nfs/dbraw/zinc/19/09/73/386190973.db2.gz KHUSKHVFIHMBDW-JTQLQIEISA-N 0 3 236.319 0.586 20 0 BCADHN Cc1ccc([O-])c(CN[C@@H](C)CC[NH3+])n1 ZINC000414894482 386175967 /nfs/dbraw/zinc/17/59/67/386175967.db2.gz ZLPDGIHXAPFEJJ-QMMMGPOBSA-N 0 3 209.293 0.923 20 0 BCADHN CCN(C)CCNC(=O)CCCC(=O)OC ZINC000164630842 386176095 /nfs/dbraw/zinc/17/60/95/386176095.db2.gz KMFRNIZQCGVOJP-UHFFFAOYSA-N 0 3 230.308 0.398 20 0 BCADHN C[C@H](CN(C)C)NC(=O)CCOCC(F)F ZINC000346235883 386179318 /nfs/dbraw/zinc/17/93/18/386179318.db2.gz XYGXWYLERZEIIK-MRVPVSSYSA-N 0 3 238.278 0.725 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCSC1 ZINC000346234966 386179472 /nfs/dbraw/zinc/17/94/72/386179472.db2.gz XALGZHOJGMIAPI-IUCAKERBSA-N 0 3 216.350 0.806 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1cccc(CO)c1 ZINC000346189370 386181290 /nfs/dbraw/zinc/18/12/90/386181290.db2.gz GIXXJMFNNTXWHF-SNVBAGLBSA-N 0 3 236.315 0.859 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)CN(C)C(C)C ZINC000163690201 386181431 /nfs/dbraw/zinc/18/14/31/386181431.db2.gz KWPTWUIDNVYRCC-MRVPVSSYSA-N 0 3 216.281 0.004 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000638325609 386181534 /nfs/dbraw/zinc/18/15/34/386181534.db2.gz IRCQGDHMUXOMBR-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@H](C)CS(=O)(=O)N[C@H]1CNCC[C@H]1C ZINC000440842846 386187729 /nfs/dbraw/zinc/18/77/29/386187729.db2.gz LMRAVANHMGYTDI-AXFHLTTASA-N 0 3 248.392 0.950 20 0 BCADHN Cc1nonc1C(=O)N(C)CCN(C)C1CC1 ZINC000274580258 386124540 /nfs/dbraw/zinc/12/45/40/386124540.db2.gz NZGCFVBEWNCPES-UHFFFAOYSA-N 0 3 238.291 0.544 20 0 BCADHN CCN(CCO)CCNC(=O)c1ccn(C)c1 ZINC000274607201 386125676 /nfs/dbraw/zinc/12/56/76/386125676.db2.gz YMKSDQRRLNODIM-UHFFFAOYSA-N 0 3 239.319 0.069 20 0 BCADHN CO[C@@H](C)CN1CCc2n[nH]c(=O)cc2C1 ZINC000408338697 386130727 /nfs/dbraw/zinc/13/07/27/386130727.db2.gz MSOFKRAMNKYTBY-QMMMGPOBSA-N 0 3 223.276 0.575 20 0 BCADHN C[C@H](O)CCN1CCO[C@@]2(CCCOC2)C1 ZINC000425463350 386132204 /nfs/dbraw/zinc/13/22/04/386132204.db2.gz XTXUQJRMCYILMP-RYUDHWBXSA-N 0 3 229.320 0.639 20 0 BCADHN CNC(=O)[C@H]1CCC[C@@H]1NCc1c[nH]nc1C ZINC000345865253 386134050 /nfs/dbraw/zinc/13/40/50/386134050.db2.gz ZLHQSPOQOHZUBK-QWRGUYRKSA-N 0 3 236.319 0.722 20 0 BCADHN C[C@H](O)CCN1CC[C@@](O)(C(F)F)C1 ZINC000425468042 386136347 /nfs/dbraw/zinc/13/63/47/386136347.db2.gz CNLGLFAJTYHJPW-CBAPKCEASA-N 0 3 209.236 0.459 20 0 BCADHN CN(C)CCNC(=O)NCC[C@@H]1CCOC1 ZINC000345869406 386136470 /nfs/dbraw/zinc/13/64/70/386136470.db2.gz XTRXQYUDFSCRFL-SNVBAGLBSA-N 0 3 229.324 0.274 20 0 BCADHN CC1(C)OCC[C@H]1NCc1ccc(C(N)=O)nc1 ZINC000340259377 386140042 /nfs/dbraw/zinc/14/00/42/386140042.db2.gz MQPUIDLJALADSB-LLVKDONJSA-N 0 3 249.314 0.838 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)C1(O)CCC1 ZINC000335254226 386203209 /nfs/dbraw/zinc/20/32/09/386203209.db2.gz PFDFGLJTBFDWRO-SECBINFHSA-N 0 3 212.293 0.112 20 0 BCADHN CN(C)C1(CNC(=O)[C@]2(C)C[C@@H]2F)CC1 ZINC000424897860 386203878 /nfs/dbraw/zinc/20/38/78/386203878.db2.gz WHSHBZYCOCGXFQ-WCBMZHEXSA-N 0 3 214.284 0.945 20 0 BCADHN CC(C)[C@@H](O)CN(C)C1(C(N)=O)CCCC1 ZINC000340285553 386205572 /nfs/dbraw/zinc/20/55/72/386205572.db2.gz IPTBHBXSHDIGAT-JTQLQIEISA-N 0 3 228.336 0.733 20 0 BCADHN C[C@@H](NC(=O)c1ccncn1)C1=CCN(C)CC1 ZINC000275347592 386205886 /nfs/dbraw/zinc/20/58/86/386205886.db2.gz PYPAMGSYUOWSJS-SNVBAGLBSA-N 0 3 246.314 0.857 20 0 BCADHN CN(CCNC(=O)c1cccn(C)c1=O)C1CC1 ZINC000264142372 386209865 /nfs/dbraw/zinc/20/98/65/386209865.db2.gz WYSNVAZVJXRJDL-UHFFFAOYSA-N 0 3 249.314 0.209 20 0 BCADHN CCCCN(C)[C@@H](C)C(=O)NC(=O)NCC ZINC000057569689 386259739 /nfs/dbraw/zinc/25/97/39/386259739.db2.gz HHKWTYGZNJWDAW-VIFPVBQESA-N 0 3 229.324 0.953 20 0 BCADHN CC(C)N1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000408402588 386211957 /nfs/dbraw/zinc/21/19/57/386211957.db2.gz OLEBQCTWPGFJSI-GFCCVEGCSA-N 0 3 240.347 0.746 20 0 BCADHN Cc1nccn1C[C@@H](C)CNCc1cn(C)nn1 ZINC000343190004 386214636 /nfs/dbraw/zinc/21/46/36/386214636.db2.gz CNADQMDAAXYYPS-JTQLQIEISA-N 0 3 248.334 0.746 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1Cc1cn[nH]n1 ZINC000340289291 386217500 /nfs/dbraw/zinc/21/75/00/386217500.db2.gz FEIVDDAQNMICFY-WPRPVWTQSA-N 0 3 210.281 0.540 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1Cc1c[nH]nn1 ZINC000340289291 386217504 /nfs/dbraw/zinc/21/75/04/386217504.db2.gz FEIVDDAQNMICFY-WPRPVWTQSA-N 0 3 210.281 0.540 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)c1ncn(C)n1 ZINC000275523114 386219223 /nfs/dbraw/zinc/21/92/23/386219223.db2.gz JKADBZANJIFREG-SECBINFHSA-N 0 3 239.323 0.334 20 0 BCADHN COC(=O)CCCCNC(=O)/C=C/CN(C)C ZINC000264655625 386260002 /nfs/dbraw/zinc/26/00/02/386260002.db2.gz UEVFQEVKTQJQQK-VOTSOKGWSA-N 0 3 242.319 0.564 20 0 BCADHN CN(Cc1ccccn1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000275556363 386222831 /nfs/dbraw/zinc/22/28/31/386222831.db2.gz UKTHKMPKGOFPIX-GXSJLCMTSA-N 0 3 237.278 0.740 20 0 BCADHN Cc1nnc(N2CC[C@]3(CCN(C)C3)C2)o1 ZINC000366244036 386224601 /nfs/dbraw/zinc/22/46/01/386224601.db2.gz SKLYGJBWNUETPR-NSHDSACASA-N 0 3 222.292 0.910 20 0 BCADHN COC[C@@H](C)NCc1cnc2cnccn12 ZINC000125119082 386224890 /nfs/dbraw/zinc/22/48/90/386224890.db2.gz AWOXGCCIBIPNML-SECBINFHSA-N 0 3 220.276 0.854 20 0 BCADHN CN1CC=C(CNC(=O)NOCC2CC2)CC1 ZINC000297159855 386228287 /nfs/dbraw/zinc/22/82/87/386228287.db2.gz AFFCJKBMZLQPDG-UHFFFAOYSA-N 0 3 239.319 0.889 20 0 BCADHN CC[C@H](N[C@@H](C)CS(C)(=O)=O)[C@H]1CCCO1 ZINC000132340231 386228969 /nfs/dbraw/zinc/22/89/69/386228969.db2.gz HQGBUTNYTPEULC-GARJFASQSA-N 0 3 249.376 0.967 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)NCCN1CCCC1 ZINC000340295154 386231478 /nfs/dbraw/zinc/23/14/78/386231478.db2.gz DOOAQPQIHUOVIX-VHSXEESVSA-N 0 3 240.303 0.008 20 0 BCADHN CNc1ccc(C(=O)NC[C@@H]2CCCN2C)cn1 ZINC000226133116 386238104 /nfs/dbraw/zinc/23/81/04/386238104.db2.gz KLFLUTOYCFFHJJ-NSHDSACASA-N 0 3 248.330 0.947 20 0 BCADHN Cn1cc(CCN2CCC[C@@H](CO)C2)cn1 ZINC000226167351 386238515 /nfs/dbraw/zinc/23/85/15/386238515.db2.gz LKLOVUFSSAXOIY-GFCCVEGCSA-N 0 3 223.320 0.667 20 0 BCADHN COC(=O)[C@H]1CCCN(C[C@H](C)O)C1 ZINC000125352019 386240579 /nfs/dbraw/zinc/24/05/79/386240579.db2.gz VEHDBBQGOHZSLA-IUCAKERBSA-N 0 3 201.266 0.252 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2CCCO2)CC1 ZINC000416290700 386242770 /nfs/dbraw/zinc/24/27/70/386242770.db2.gz MQGPHYXPGXPKEJ-VIFPVBQESA-N 0 3 212.293 0.376 20 0 BCADHN COC[C@@H](NC(=O)[C@@H](N)CCSC)C1CC1 ZINC000125387058 386249561 /nfs/dbraw/zinc/24/95/61/386249561.db2.gz HALJEOJWJJRAQS-VHSXEESVSA-N 0 3 246.376 0.608 20 0 BCADHN Cc1c(CN2CC[C@@H](C)[C@H]2CO)cnn1C ZINC000275962021 386255907 /nfs/dbraw/zinc/25/59/07/386255907.db2.gz BMHKKLGFLDAAGE-BXKDBHETSA-N 0 3 223.320 0.931 20 0 BCADHN CO[C@H]1CCN([C@@H]2CCCCNC2=O)C1 ZINC000336647328 386257513 /nfs/dbraw/zinc/25/75/13/386257513.db2.gz MCBKIISMKJXSMM-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@H](NC(=O)[C@@]1(C)CCCCN1)c1ncon1 ZINC000125487805 386257905 /nfs/dbraw/zinc/25/79/05/386257905.db2.gz NOJYYOMFEIQLJH-GZMMTYOYSA-N 0 3 238.291 0.779 20 0 BCADHN COc1ccncc1CN1C[C@H](C)[C@@H](C(N)=O)C1 ZINC000347191426 386258103 /nfs/dbraw/zinc/25/81/03/386258103.db2.gz DOMFYHZOFPXJJR-ONGXEEELSA-N 0 3 249.314 0.643 20 0 BCADHN CCC[C@H](O)CNC(=O)C[C@H]1CSCCN1 ZINC000132916747 386258643 /nfs/dbraw/zinc/25/86/43/386258643.db2.gz AQIXEYOTNMFQOE-UWVGGRQHSA-N 0 3 246.376 0.359 20 0 BCADHN Cc1noc([C@H]2CCN(CCCCO)C2)n1 ZINC000346246359 386192043 /nfs/dbraw/zinc/19/20/43/386192043.db2.gz SHAFRTYBFBBDKK-JTQLQIEISA-N 0 3 225.292 0.940 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CC[C@H](O)C1)N(C)C1CC1 ZINC000346294548 386192462 /nfs/dbraw/zinc/19/24/62/386192462.db2.gz GGWKKAGESXAKGR-FOGDFJRCSA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)COCCOC)N(C)C ZINC000338964840 386192518 /nfs/dbraw/zinc/19/25/18/386192518.db2.gz UFFQUOXKRJQRCP-QWRGUYRKSA-N 0 3 246.351 0.494 20 0 BCADHN CC[C@@H](C(=O)NCc1c[nH]cn1)N(C)C ZINC000338964884 386192612 /nfs/dbraw/zinc/19/26/12/386192612.db2.gz DHYHELBXDCCQFJ-VIFPVBQESA-N 0 3 210.281 0.366 20 0 BCADHN CC[C@@H](C(=O)NCc1cnc[nH]1)N(C)C ZINC000338964884 386192616 /nfs/dbraw/zinc/19/26/16/386192616.db2.gz DHYHELBXDCCQFJ-VIFPVBQESA-N 0 3 210.281 0.366 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CCSC1)N(C)C ZINC000338965024 386192626 /nfs/dbraw/zinc/19/26/26/386192626.db2.gz FRBYXRROYYVDTA-BDAKNGLRSA-N 0 3 216.350 0.948 20 0 BCADHN CC[C@@H](C(=O)NCC[C@@H](C)OC)N(C)C ZINC000338970834 386192960 /nfs/dbraw/zinc/19/29/60/386192960.db2.gz ZKPVTWRSINXEIU-ZJUUUORDSA-N 0 3 216.325 0.868 20 0 BCADHN CN(CCN1CCCS1(=O)=O)C1CCC1 ZINC000336648173 386259052 /nfs/dbraw/zinc/25/90/52/386259052.db2.gz NQOXGLBXVJIMGL-UHFFFAOYSA-N 0 3 232.349 0.506 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1cnn(C)c1 ZINC000263937488 386194394 /nfs/dbraw/zinc/19/43/94/386194394.db2.gz YBRQDPLQQNTEJM-NSHDSACASA-N 0 3 236.319 0.586 20 0 BCADHN CC[S@@](=O)CC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000346338845 386195462 /nfs/dbraw/zinc/19/54/62/386195462.db2.gz PAMCOZAPMLIOJR-JDNHERCYSA-N 0 3 246.376 0.354 20 0 BCADHN C[C@H](NC[C@H]1CN(C)CCO1)c1cn[nH]c1 ZINC000275241530 386195544 /nfs/dbraw/zinc/19/55/44/386195544.db2.gz XEKCNBRKYWTXJZ-ONGXEEELSA-N 0 3 224.308 0.391 20 0 BCADHN Cc1ccc(C)c(CN2C[C@@H](O)[C@H](O)C2)c1 ZINC000235877041 386197135 /nfs/dbraw/zinc/19/71/35/386197135.db2.gz NFOXZHOGQFWABM-CHWSQXEVSA-N 0 3 221.300 0.841 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@H](O)c1ccsc1 ZINC000225520050 386199197 /nfs/dbraw/zinc/19/91/97/386199197.db2.gz NCNLJFCAMDNSRZ-VHSXEESVSA-N 0 3 242.344 0.881 20 0 BCADHN CCOC[C@@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC000336663763 386284073 /nfs/dbraw/zinc/28/40/73/386284073.db2.gz DHAFSQJXDWJUFL-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CO[C@H]1CCN(CCn2cncn2)[C@@H](C)C1 ZINC000336664830 386286736 /nfs/dbraw/zinc/28/67/36/386286736.db2.gz HKDYAWDQFKSESA-QWRGUYRKSA-N 0 3 224.308 0.777 20 0 BCADHN CO[C@@H]1CN(C[C@H]2COCCO2)CC[C@@H]1C ZINC000336664557 386287924 /nfs/dbraw/zinc/28/79/24/386287924.db2.gz FVZONGFMDMHENA-SDDRHHMPSA-N 0 3 229.320 0.759 20 0 BCADHN COCC(C)(C)N1CCN(CC[C@@H](C)O)CC1 ZINC000425511995 386288751 /nfs/dbraw/zinc/28/87/51/386288751.db2.gz XPUOCZXPTQNHHF-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN C[C@H](O)CN1CCC[C@@H](n2ccnn2)C1 ZINC000425515182 386291436 /nfs/dbraw/zinc/29/14/36/386291436.db2.gz QOLMKSMRCRPROA-VHSXEESVSA-N 0 3 210.281 0.296 20 0 BCADHN CN(C(=O)C1(O)CCC1)[C@@H]1CCN(C2CC2)C1 ZINC000335263141 386291463 /nfs/dbraw/zinc/29/14/63/386291463.db2.gz AZPZNKVVLSVWCO-LLVKDONJSA-N 0 3 238.331 0.597 20 0 BCADHN CN1CCC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC000643334173 386293143 /nfs/dbraw/zinc/29/31/43/386293143.db2.gz LQESGDAHZLIVFV-VHSXEESVSA-N 0 3 208.305 0.997 20 0 BCADHN CN(Cc1ccncc1)C(=O)C[C@H]1CNCCO1 ZINC000091299453 386294393 /nfs/dbraw/zinc/29/43/93/386294393.db2.gz HQIDOYUVQZNHAE-LBPRGKRZSA-N 0 3 249.314 0.419 20 0 BCADHN COC1(CCN(C)[C@H]2COC[C@@H]2O)CCC1 ZINC000339193112 386294974 /nfs/dbraw/zinc/29/49/74/386294974.db2.gz RCQWPHJGAJYCSW-QWRGUYRKSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@H](O)CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000339192973 386295666 /nfs/dbraw/zinc/29/56/66/386295666.db2.gz ZZQHHKHFSHGTOY-DJLDLDEBSA-N 0 3 241.253 0.860 20 0 BCADHN Cc1c(CNC(=O)[C@H](N)C(C)C)cnn1C ZINC000226413835 386296267 /nfs/dbraw/zinc/29/62/67/386296267.db2.gz BVBPLPXXMYFQPE-SNVBAGLBSA-N 0 3 224.308 0.328 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1OC ZINC000336667953 386296446 /nfs/dbraw/zinc/29/64/46/386296446.db2.gz OIJMGFYRFBQFAR-QJPTWQEYSA-N 0 3 229.320 0.901 20 0 BCADHN COC1(CCN(C)[C@@H]2COC[C@H]2O)CCC1 ZINC000339193110 386296806 /nfs/dbraw/zinc/29/68/06/386296806.db2.gz RCQWPHJGAJYCSW-GHMZBOCLSA-N 0 3 229.320 0.637 20 0 BCADHN CN(CCN1CCCS1(=O)=O)CC(C)(C)C ZINC000336660753 386299111 /nfs/dbraw/zinc/29/91/11/386299111.db2.gz BJXDIPSXYMGLTM-UHFFFAOYSA-N 0 3 248.392 1.000 20 0 BCADHN CN(Cc1ccccn1)C1CCN(CCO)CC1 ZINC000353363352 386302181 /nfs/dbraw/zinc/30/21/81/386302181.db2.gz JGBQSWHYSHVBKJ-UHFFFAOYSA-N 0 3 249.358 0.970 20 0 BCADHN COC[C@@H]1CCN([C@H]2CCCCNC2=O)C1 ZINC000336672422 386302879 /nfs/dbraw/zinc/30/28/79/386302879.db2.gz KFJTYMRYYSFCKG-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](O)[C@H]1CCCCN1CCN1CCNC1=O ZINC000336672599 386303840 /nfs/dbraw/zinc/30/38/40/386303840.db2.gz BGOLWABGWIYMPZ-GHMZBOCLSA-N 0 3 241.335 0.247 20 0 BCADHN CC[C@H](O)CN1CCC[C@H](n2ccnn2)C1 ZINC000425519681 386303735 /nfs/dbraw/zinc/30/37/35/386303735.db2.gz XGVBLHGPPFTWIL-QWRGUYRKSA-N 0 3 224.308 0.686 20 0 BCADHN C[C@@H](O)[C@@H]1CCCCN1CCN1CCNC1=O ZINC000336672606 386304030 /nfs/dbraw/zinc/30/40/30/386304030.db2.gz BGOLWABGWIYMPZ-MNOVXSKESA-N 0 3 241.335 0.247 20 0 BCADHN CCN(CC)CCN1CCCS1(=O)=O ZINC000336675693 386305691 /nfs/dbraw/zinc/30/56/91/386305691.db2.gz UZDHCEHPFPQVAL-UHFFFAOYSA-N 0 3 220.338 0.364 20 0 BCADHN CC(C)C(=O)NC[C@H]1CCCN(CCO)C1 ZINC000081670046 386307160 /nfs/dbraw/zinc/30/71/60/386307160.db2.gz RCHSKJQKHPLLFD-LLVKDONJSA-N 0 3 228.336 0.463 20 0 BCADHN CC[C@H](O)CN1CCC[C@@H](n2ccnn2)C1 ZINC000425519680 386308455 /nfs/dbraw/zinc/30/84/55/386308455.db2.gz XGVBLHGPPFTWIL-MNOVXSKESA-N 0 3 224.308 0.686 20 0 BCADHN C[C@H](O)CCCN1CCC[C@H](OCCO)C1 ZINC000336671109 386315035 /nfs/dbraw/zinc/31/50/35/386315035.db2.gz RZADUFATRFBBOD-RYUDHWBXSA-N 0 3 231.336 0.621 20 0 BCADHN COC(=O)[C@H]1CCN(Cc2cnc[nH]2)[C@@H]1C ZINC000347280334 386315176 /nfs/dbraw/zinc/31/51/76/386315176.db2.gz REMTWIIXRJBEAC-SCZZXKLOSA-N 0 3 223.276 0.793 20 0 BCADHN CCOCCN1CCN(CCC(C)(C)O)CC1 ZINC000347280167 386315573 /nfs/dbraw/zinc/31/55/73/386315573.db2.gz FKNUMOYGKHHHKV-UHFFFAOYSA-N 0 3 244.379 0.802 20 0 BCADHN COC(=O)[C@@H]1CCN(Cc2cnc[nH]2)[C@H]1C ZINC000347280336 386316379 /nfs/dbraw/zinc/31/63/79/386316379.db2.gz REMTWIIXRJBEAC-WCBMZHEXSA-N 0 3 223.276 0.793 20 0 BCADHN CN(C[C@@H]1CCC[C@H]1O)C[C@@H]1COCCO1 ZINC000336676322 386325168 /nfs/dbraw/zinc/32/51/68/386325168.db2.gz NCQVZGNOIBJHGY-QJPTWQEYSA-N 0 3 229.320 0.495 20 0 BCADHN OC[C@@H]1CC[C@@H](CO)N1CCc1cccnc1 ZINC000347281448 386318044 /nfs/dbraw/zinc/31/80/44/386318044.db2.gz AMRPUKIZUMQFDK-STQMWFEESA-N 0 3 236.315 0.442 20 0 BCADHN OC[C@H]1CC[C@@H](CO)N1CCc1cccnc1 ZINC000347281446 386318313 /nfs/dbraw/zinc/31/83/13/386318313.db2.gz AMRPUKIZUMQFDK-BETUJISGSA-N 0 3 236.315 0.442 20 0 BCADHN CCCCCNC(=O)NCCNCCOC ZINC000416440651 386318370 /nfs/dbraw/zinc/31/83/70/386318370.db2.gz SSHBJDLOHOCLNK-UHFFFAOYSA-N 0 3 231.340 0.712 20 0 BCADHN CN(C[C@H]1COCCO1)CC(C)(C)O ZINC000336671412 386319205 /nfs/dbraw/zinc/31/92/05/386319205.db2.gz KAXQLLFOSCSLTD-VIFPVBQESA-N 0 3 203.282 0.105 20 0 BCADHN CN(C)C(=O)N(C)CC1CCN(C)CC1 ZINC000122530309 386319366 /nfs/dbraw/zinc/31/93/66/386319366.db2.gz DASZNOQNGRITQN-UHFFFAOYSA-N 0 3 213.325 0.942 20 0 BCADHN C[C@@H]1CN(C(=O)NC[C@@H]2CCCO2)[C@H](C)CN1 ZINC000416441963 386319458 /nfs/dbraw/zinc/31/94/58/386319458.db2.gz WONCHSHSUXHEJV-MXWKQRLJSA-N 0 3 241.335 0.557 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)[C@@H](N)[C@@H](C)CC ZINC000236867602 386320131 /nfs/dbraw/zinc/32/01/31/386320131.db2.gz RIPCGUXQUGMDKO-YTWAJWBKSA-N 0 3 230.352 0.883 20 0 BCADHN CCc1nc(CN[C@@H](C)Cn2cccn2)n[nH]1 ZINC000347283707 386320179 /nfs/dbraw/zinc/32/01/79/386320179.db2.gz KXLVYIOLRQRXQV-VIFPVBQESA-N 0 3 234.307 0.742 20 0 BCADHN c1cn([C@H]2CCCN([C@@H]3CCOC3)C2)nn1 ZINC000425520169 386321748 /nfs/dbraw/zinc/32/17/48/386321748.db2.gz XKBNGDYKNNDDBG-WDEREUQCSA-N 0 3 222.292 0.704 20 0 BCADHN COC(C)(C)CNC(=O)[C@@H](N)C(C)C ZINC000133419305 386322003 /nfs/dbraw/zinc/32/20/03/386322003.db2.gz JLWOWKLXLSYZDY-QMMMGPOBSA-N 0 3 202.298 0.511 20 0 BCADHN CCc1ccccc1[C@@H](N)CNC(N)=O ZINC000416445287 386322028 /nfs/dbraw/zinc/32/20/28/386322028.db2.gz KUQRAYCCECNWQT-JTQLQIEISA-N 0 3 207.277 0.917 20 0 BCADHN CN(CCN1CCOCC1)[C@@H]1CCCOC1 ZINC000336675086 386322394 /nfs/dbraw/zinc/32/23/94/386322394.db2.gz MACGZXYZEJHNQY-GFCCVEGCSA-N 0 3 228.336 0.429 20 0 BCADHN CN(C)C(=O)CCN(C)CCn1cccn1 ZINC000264700096 386263760 /nfs/dbraw/zinc/26/37/60/386263760.db2.gz HTPRGXZTABSKTP-UHFFFAOYSA-N 0 3 224.308 0.293 20 0 BCADHN CC[C@H](OC)C(=O)NCC1(N(C)C)CC1 ZINC000416301316 386264452 /nfs/dbraw/zinc/26/44/52/386264452.db2.gz KTQRCESGYMZSEM-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H](OC)C(=O)NCC1(N(C)C)CC1 ZINC000416301315 386264495 /nfs/dbraw/zinc/26/44/95/386264495.db2.gz KTQRCESGYMZSEM-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](C(=O)NCC1(N(C)C)CC1)n1cccn1 ZINC000416300530 386264613 /nfs/dbraw/zinc/26/46/13/386264613.db2.gz JGERCUJFERDNFG-JTQLQIEISA-N 0 3 236.319 0.655 20 0 BCADHN CC[C@H](O)CN1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000339143453 386264882 /nfs/dbraw/zinc/26/48/82/386264882.db2.gz DFXUZYCZDFPQKQ-SDDRHHMPSA-N 0 3 229.320 0.637 20 0 BCADHN COCCNCCNC(=O)N[C@H]1CCC[C@@H]1C ZINC000417522751 386265109 /nfs/dbraw/zinc/26/51/09/386265109.db2.gz QOZCHAYIFWQWQD-QWRGUYRKSA-N 0 3 243.351 0.710 20 0 BCADHN CN(C)C1(CNC(=O)Cn2cccn2)CCC1 ZINC000276041583 386265295 /nfs/dbraw/zinc/26/52/95/386265295.db2.gz SOGJBOIGZLXDMJ-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN Cc1noc(CCNC(=O)[C@@H](N)C(C)(C)C)n1 ZINC000226329343 386265246 /nfs/dbraw/zinc/26/52/46/386265246.db2.gz ZZKOXQUHBKWCBE-SECBINFHSA-N 0 3 240.307 0.410 20 0 BCADHN Cc1[nH]c(=O)ccc1C(=O)NCC1(N(C)C)CC1 ZINC000416306632 386266446 /nfs/dbraw/zinc/26/64/46/386266446.db2.gz GXVPQABTYPLNKP-UHFFFAOYSA-N 0 3 249.314 0.920 20 0 BCADHN CO[C@@H](C)CN1CCC[C@H](OCCO)C1 ZINC000336651468 386266403 /nfs/dbraw/zinc/26/64/03/386266403.db2.gz VGCSBSMPLKPICS-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN CC[C@H](O)CN(CCOC)[C@H]1CCOC1 ZINC000339135709 386267314 /nfs/dbraw/zinc/26/73/14/386267314.db2.gz JUCXBXYRZFKNBV-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN CO[C@@H](C)CN1CCC[C@@H](OCCO)C1 ZINC000336651469 386267656 /nfs/dbraw/zinc/26/76/56/386267656.db2.gz VGCSBSMPLKPICS-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2CCSC2)CC1 ZINC000416307141 386269135 /nfs/dbraw/zinc/26/91/35/386269135.db2.gz JGBHQVAMKUQCCG-SECBINFHSA-N 0 3 228.361 0.950 20 0 BCADHN CC[C@H](C(=O)NCC1(N(C)C)CC1)C(=O)OC ZINC000416307567 386270259 /nfs/dbraw/zinc/27/02/59/386270259.db2.gz LKLAFCRNJVIZRH-SECBINFHSA-N 0 3 242.319 0.396 20 0 BCADHN CCN(C[C@@H]1CCOC1)[C@@H]1CCNC1=O ZINC000336653400 386270289 /nfs/dbraw/zinc/27/02/89/386270289.db2.gz YJWCBMHOZGTEHW-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN Cc1cc(C(=O)NCC2(N(C)C)CC2)nc(C)n1 ZINC000416308415 386270538 /nfs/dbraw/zinc/27/05/38/386270538.db2.gz QHKGXRSTEMNWKG-UHFFFAOYSA-N 0 3 248.330 0.917 20 0 BCADHN Cc1c(CNCC2(CCO)CC2)cnn1C ZINC000133054007 386271397 /nfs/dbraw/zinc/27/13/97/386271397.db2.gz VBGXNPHNYVEEED-UHFFFAOYSA-N 0 3 223.320 0.981 20 0 BCADHN CCN(C)CCNC(=O)c1cc(C)cc(=O)[nH]1 ZINC000340307814 386272164 /nfs/dbraw/zinc/27/21/64/386272164.db2.gz GORJZJZUBZTQSL-UHFFFAOYSA-N 0 3 237.303 0.777 20 0 BCADHN Cc1cc(C(=O)NCC2(N(C)C)CC2)cc(=O)[nH]1 ZINC000416310310 386272441 /nfs/dbraw/zinc/27/24/41/386272441.db2.gz YXEAMTHYMWFYKD-UHFFFAOYSA-N 0 3 249.314 0.920 20 0 BCADHN CN(C)C1(CNC(=O)c2cnc[nH]2)CCC1 ZINC000276097920 386273406 /nfs/dbraw/zinc/27/34/06/386273406.db2.gz YMSUUVSFPMQSSO-UHFFFAOYSA-N 0 3 222.292 0.624 20 0 BCADHN CCO[C@H](C)C(=O)NCCN(C)CCOC ZINC000339246667 386323948 /nfs/dbraw/zinc/32/39/48/386323948.db2.gz OEJGQZDAFOSYOP-SNVBAGLBSA-N 0 3 232.324 0.106 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H](O)C2CCC2)CC1 ZINC000416312404 386273907 /nfs/dbraw/zinc/27/39/07/386273907.db2.gz POTIGYABRCFMPW-JTQLQIEISA-N 0 3 226.320 0.358 20 0 BCADHN CN(C)C1(CNC(=O)c2cc[n+]([O-])cc2)CCC1 ZINC000276093363 386273862 /nfs/dbraw/zinc/27/38/62/386273862.db2.gz YFGHDRGPCVCIFC-UHFFFAOYSA-N 0 3 249.314 0.534 20 0 BCADHN CCN(CCNC(=O)c1cnc(C)[nH]1)C1CC1 ZINC000264841755 386275458 /nfs/dbraw/zinc/27/54/58/386275458.db2.gz LCKPTARTDWZSTE-UHFFFAOYSA-N 0 3 236.319 0.932 20 0 BCADHN CC[C@H](C)C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000347236038 386275800 /nfs/dbraw/zinc/27/58/00/386275800.db2.gz QCTOQYJOEKGISS-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H](C)C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000347236040 386276165 /nfs/dbraw/zinc/27/61/65/386276165.db2.gz QCTOQYJOEKGISS-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN CCN(C)CCNC(=O)CCc1ccn(C)n1 ZINC000340307679 386278338 /nfs/dbraw/zinc/27/83/38/386278338.db2.gz LOSVDNSNRRFLKO-UHFFFAOYSA-N 0 3 238.335 0.421 20 0 BCADHN CN(C)CCN(C)Cc1csnn1 ZINC000289666754 386340518 /nfs/dbraw/zinc/34/05/18/386340518.db2.gz DEBDSCJDXSDHFI-UHFFFAOYSA-N 0 3 200.311 0.532 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC(=O)/C=C/CN(C)C ZINC000276535666 386340930 /nfs/dbraw/zinc/34/09/30/386340930.db2.gz DPOJZOXTEGYNQA-QROSGCPLSA-N 0 3 241.335 0.087 20 0 BCADHN CCO[C@@H]1C[C@](N)(C(=O)NCCOC)C1(C)C ZINC000133726130 386343618 /nfs/dbraw/zinc/34/36/18/386343618.db2.gz HICQFMILAAOMFB-SKDRFNHKSA-N 0 3 244.335 0.282 20 0 BCADHN COC(=O)CNC(=O)CCN1CC[C@](C)(F)C1 ZINC000347351033 386346325 /nfs/dbraw/zinc/34/63/25/386346325.db2.gz MRSQNSPHCVWLKS-NSHDSACASA-N 0 3 246.282 0.100 20 0 BCADHN Cc1c[nH]nc1CNCCCN1CCCC1=O ZINC000289744633 386349180 /nfs/dbraw/zinc/34/91/80/386349180.db2.gz FBFAQYKPVOLOQU-UHFFFAOYSA-N 0 3 236.319 0.820 20 0 BCADHN CC(=O)N(C)CC(=O)NC[C@@H](N)c1ccccc1 ZINC000237062444 386349209 /nfs/dbraw/zinc/34/92/09/386349209.db2.gz QVDHFCVZRVYPQX-GFCCVEGCSA-N 0 3 249.314 0.281 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)C=Cc2c[nH]cn2)C1 ZINC000276584793 386349929 /nfs/dbraw/zinc/34/99/29/386349929.db2.gz MEDOJNGSGRAMDV-BTDICHCPSA-N 0 3 248.330 0.976 20 0 BCADHN COC[C@H]1CCN([C@H]2CCN(C(C)C)C2=O)C1 ZINC000336688350 386351995 /nfs/dbraw/zinc/35/19/95/386351995.db2.gz HCBFSGZUIOUEAQ-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN COC(=O)[C@H](C)CN(C)CCc1cncn1C ZINC000290043965 386386579 /nfs/dbraw/zinc/38/65/79/386386579.db2.gz OFSUDQNYDOCGOW-SNVBAGLBSA-N 0 3 239.319 0.704 20 0 BCADHN COC(C)(C)CCN1CCN2C(=O)NC[C@H]2C1 ZINC000336689353 386354197 /nfs/dbraw/zinc/35/41/97/386354197.db2.gz AVZOGAXILNGHSJ-JTQLQIEISA-N 0 3 241.335 0.511 20 0 BCADHN CO[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(F)CCNC1 ZINC000366321370 386355787 /nfs/dbraw/zinc/35/57/87/386355787.db2.gz GWBJCSWQLDERGS-UMNHJUIQSA-N 0 3 244.310 0.762 20 0 BCADHN COC[C@@H]1CCN1CCN1CCOCC1 ZINC000339294263 386356998 /nfs/dbraw/zinc/35/69/98/386356998.db2.gz RGBXYBXBHHTJAN-NSHDSACASA-N 0 3 214.309 0.039 20 0 BCADHN Cn1cccc1CNC[C@H](O)C1CCOCC1 ZINC000265661805 386358482 /nfs/dbraw/zinc/35/84/82/386358482.db2.gz SBKZLRWSQWGNHD-ZDUSSCGKSA-N 0 3 238.331 0.902 20 0 BCADHN O=C(Nn1cnc2ccccc21)[C@]1(F)CCNC1 ZINC000366324204 386359362 /nfs/dbraw/zinc/35/93/62/386359362.db2.gz SAPKFFBQBXSIGX-LBPRGKRZSA-N 0 3 248.261 0.808 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCn1cc(C)cn1 ZINC000226675688 386359488 /nfs/dbraw/zinc/35/94/88/386359488.db2.gz QBWNKLCTQMJTDP-LBPRGKRZSA-N 0 3 238.335 0.825 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCCN(CC(F)F)CC1 ZINC000335278925 386361092 /nfs/dbraw/zinc/36/10/92/386361092.db2.gz BMTNDOCETPRLEM-DTWKUNHWSA-N 0 3 247.289 0.133 20 0 BCADHN C[C@H](NC(=O)/C=C/CN(C)C)[C@@H]1CCCO1 ZINC000265692522 386361208 /nfs/dbraw/zinc/36/12/08/386361208.db2.gz ZDNVOSGTNKVAAX-UHDIHKPFSA-N 0 3 226.320 0.788 20 0 BCADHN Cc1cnn([C@@H]2CCN(C[C@H](C)O)C2)c1 ZINC000289853418 386365531 /nfs/dbraw/zinc/36/55/31/386365531.db2.gz KUJJBAXKNCFMFS-WDEREUQCSA-N 0 3 209.293 0.819 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)C1CCN(C)CC1 ZINC000347363133 386366675 /nfs/dbraw/zinc/36/66/75/386366675.db2.gz ASNTVIJLMMMNFI-VHSXEESVSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H]1OCC[C@@H]1NCC(=O)NCC(F)F ZINC000336774776 386368658 /nfs/dbraw/zinc/36/86/58/386368658.db2.gz ZRCMUFRWBFRGPL-RQJHMYQMSA-N 0 3 222.235 0.135 20 0 BCADHN CN(C)[C@H](CNC(=O)CC(N)=O)c1ccccc1 ZINC000265791419 386370126 /nfs/dbraw/zinc/37/01/26/386370126.db2.gz IMSVMECNRHEXHO-LLVKDONJSA-N 0 3 249.314 0.281 20 0 BCADHN C[C@H](CNC(=O)C1(N)CC1)Cn1cccn1 ZINC000237378044 386374182 /nfs/dbraw/zinc/37/41/82/386374182.db2.gz RQQHOOVTEVXCHP-SECBINFHSA-N 0 3 222.292 0.127 20 0 BCADHN C[C@@]1(F)CCN(CCCC(=O)NC(N)=O)C1 ZINC000347379333 386374551 /nfs/dbraw/zinc/37/45/51/386374551.db2.gz MTZFDXPVHIGVQL-SNVBAGLBSA-N 0 3 231.271 0.395 20 0 BCADHN CO[C@H]1CN(CCN2CCOCC2)CC[C@H]1C ZINC000336696005 386375324 /nfs/dbraw/zinc/37/53/24/386375324.db2.gz PPHGWYYMTBORGO-OLZOCXBDSA-N 0 3 242.363 0.675 20 0 BCADHN C[C@H](NC[C@@]1(O)CCN(C)C1)c1ccco1 ZINC000336743456 386375610 /nfs/dbraw/zinc/37/56/10/386375610.db2.gz PEQCJUSIHGFFPP-JQWIXIFHSA-N 0 3 224.304 0.997 20 0 BCADHN CO[C@@H](CN)C(=O)NC1(c2ccccc2)CC1 ZINC000289978055 386378703 /nfs/dbraw/zinc/37/87/03/386378703.db2.gz NUCSCXIHFRGCAH-NSHDSACASA-N 0 3 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386331985 /nfs/dbraw/zinc/33/19/85/386331985.db2.gz UGAHSXSABCWQTN-SECBINFHSA-N 0 3 237.303 0.770 20 0 BCADHN CC[C@H]1CN(C[C@H]2COCCO2)CCCO1 ZINC000336680384 386334221 /nfs/dbraw/zinc/33/42/21/386334221.db2.gz QQTXJUXCOOBLQT-RYUDHWBXSA-N 0 3 229.320 0.903 20 0 BCADHN CCS(=O)(=O)NCCN1C[C@@H](C)C[C@H](C)C1 ZINC000336680407 386334246 /nfs/dbraw/zinc/33/42/46/386334246.db2.gz PYLPSLOGWDTHDE-QWRGUYRKSA-N 0 3 248.392 0.904 20 0 BCADHN O=C1[C@@H](N2CC[C@@H](CCO)C2)CCN1C1CC1 ZINC000336684418 386334304 /nfs/dbraw/zinc/33/43/04/386334304.db2.gz FFFXRPKXLZVAPD-JQWIXIFHSA-N 0 3 238.331 0.454 20 0 BCADHN C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)C ZINC000298382480 386334618 /nfs/dbraw/zinc/33/46/18/386334618.db2.gz CASFSIDHVIEUJA-VIFPVBQESA-N 0 3 249.314 0.465 20 0 BCADHN CCN1C[C@H](N[C@@H]2CCO[C@@H]2C)CC1=O ZINC000391473727 386335664 /nfs/dbraw/zinc/33/56/64/386335664.db2.gz ISPUZWMBAWHTHP-OPRDCNLKSA-N 0 3 212.293 0.374 20 0 BCADHN CC[C@@H](C)N(C)C(=O)CNC(=O)[C@H](N)C(C)C ZINC000336717519 386436957 /nfs/dbraw/zinc/43/69/57/386436957.db2.gz YGKSFIPYBBLNGL-MWLCHTKSSA-N 0 3 243.351 0.343 20 0 BCADHN C[C@H](NCc1nnnn1C)C1CCOCC1 ZINC000336777645 386437267 /nfs/dbraw/zinc/43/72/67/386437267.db2.gz JBLVIXZKSQFQJB-QMMMGPOBSA-N 0 3 225.296 0.115 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccc(=O)n(C)c2)[C@H]1C ZINC000277496840 386438664 /nfs/dbraw/zinc/43/86/64/386438664.db2.gz ONGHFOFNIBMSAF-ZJUUUORDSA-N 0 3 249.314 0.208 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc(=O)n(C)c1 ZINC000277496837 386438922 /nfs/dbraw/zinc/43/89/22/386438922.db2.gz ONGHFOFNIBMSAF-VHSXEESVSA-N 0 3 249.314 0.208 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(C)C1 ZINC000519422757 386440409 /nfs/dbraw/zinc/44/04/09/386440409.db2.gz JTZKXGLIYAJPCC-IJLUTSLNSA-N 0 3 240.347 0.869 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCN(C)C1 ZINC000519422756 386441088 /nfs/dbraw/zinc/44/10/88/386441088.db2.gz JTZKXGLIYAJPCC-GRYCIOLGSA-N 0 3 240.347 0.869 20 0 BCADHN Cc1c[nH]nc1CN1CCCN(C)CC1 ZINC000290490282 386442115 /nfs/dbraw/zinc/44/21/15/386442115.db2.gz RSEFJEKQYJKIDV-UHFFFAOYSA-N 0 3 208.309 0.856 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@@H]([C@@H](C)O)C1 ZINC000290499302 386446357 /nfs/dbraw/zinc/44/63/57/386446357.db2.gz WLVGRBZYHMUYIY-GHMZBOCLSA-N 0 3 223.320 0.931 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@H]([C@@H](C)O)C1 ZINC000290499306 386446432 /nfs/dbraw/zinc/44/64/32/386446432.db2.gz WLVGRBZYHMUYIY-MNOVXSKESA-N 0 3 223.320 0.931 20 0 BCADHN C[C@@H](Cn1cccn1)NC(=O)[C@@H](N)C1CCC1 ZINC000399194828 386449059 /nfs/dbraw/zinc/44/90/59/386449059.db2.gz RQZPXKGZFKEIOA-ONGXEEELSA-N 0 3 236.319 0.515 20 0 BCADHN Cc1cnc(CN2CCNC[C@](C)(F)C2)cn1 ZINC000414768736 386449225 /nfs/dbraw/zinc/44/92/25/386449225.db2.gz IUVRFPFXHAWASF-LBPRGKRZSA-N 0 3 238.310 0.918 20 0 BCADHN CN(CCNC(=O)/C=C/c1cnccn1)C1CC1 ZINC000299402844 386449686 /nfs/dbraw/zinc/44/96/86/386449686.db2.gz YJAJCKZVXAVWCV-GORDUTHDSA-N 0 3 246.314 0.700 20 0 BCADHN CCN(CCCO)CCn1c(C)csc1=O ZINC000266552708 386450590 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/nfs/dbraw/zinc/39/65/14/386396514.db2.gz GPOCUDMCZIVXIH-VHSXEESVSA-N 0 3 236.319 0.469 20 0 BCADHN CN(CCOCCO)C[C@@H](O)c1ccccc1 ZINC000282306139 386400456 /nfs/dbraw/zinc/40/04/56/386400456.db2.gz GOSIDULTCRKQLS-CYBMUJFWSA-N 0 3 239.315 0.661 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)c1cnn(C)c1 ZINC000237658574 386400938 /nfs/dbraw/zinc/40/09/38/386400938.db2.gz ARKCGVLGZRZWBT-PSASIEDQSA-N 0 3 238.335 0.971 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1CCn1cncn1 ZINC000336700369 386401752 /nfs/dbraw/zinc/40/17/52/386401752.db2.gz LFDYTTYZISLYEX-GFCCVEGCSA-N 0 3 237.351 0.550 20 0 BCADHN C[C@H](CO)CNCc1ncc(CN(C)C)s1 ZINC000336732724 386404947 /nfs/dbraw/zinc/40/49/47/386404947.db2.gz GBADISIQFBZEGS-VIFPVBQESA-N 0 3 243.376 0.923 20 0 BCADHN COC[C@H]1CCCN(CCN2CCCC2=O)C1 ZINC000112987868 386405292 /nfs/dbraw/zinc/40/52/92/386405292.db2.gz HIKGEJOXFXUQOL-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN CO[C@H]1COC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1O ZINC000290203754 386407448 /nfs/dbraw/zinc/40/74/48/386407448.db2.gz UGZWZDBOAXECQK-ZOBORPQBSA-N 0 3 249.310 0.648 20 0 BCADHN CCN(CC(=O)N1CCNC1=O)CC1CC1 ZINC000112983257 386408604 /nfs/dbraw/zinc/40/86/04/386408604.db2.gz WHZONMYRMHPKOT-UHFFFAOYSA-N 0 3 225.292 0.270 20 0 BCADHN COC[C@@H]1CCCN(CC(=O)N(C)C)C1 ZINC000112990579 386410433 /nfs/dbraw/zinc/41/04/33/386410433.db2.gz PQJHKNFYKGTZQE-SNVBAGLBSA-N 0 3 214.309 0.433 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc2c(c1)ncn2C ZINC000290262600 386413695 /nfs/dbraw/zinc/41/36/95/386413695.db2.gz XRYOCFQYIFNSFU-NSHDSACASA-N 0 3 248.286 0.486 20 0 BCADHN CCOC1CC(N(C)CCOCCO)C1 ZINC000347464339 386417003 /nfs/dbraw/zinc/41/70/03/386417003.db2.gz MYUZSGJZOWURDT-UHFFFAOYSA-N 0 3 217.309 0.495 20 0 BCADHN Nc1ccc(NC(=O)[C@H]2CCCCN2)cn1 ZINC000237859409 386417600 /nfs/dbraw/zinc/41/76/00/386417600.db2.gz YNPSZBAOZUFOMM-SECBINFHSA-N 0 3 220.276 0.744 20 0 BCADHN CN1CCC(C(=O)Nc2nncs2)CC1 ZINC000299126505 386417633 /nfs/dbraw/zinc/41/76/33/386417633.db2.gz JPADQPNRVSQJKM-UHFFFAOYSA-N 0 3 226.305 0.818 20 0 BCADHN CCOCCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000416957606 386421106 /nfs/dbraw/zinc/42/11/06/386421106.db2.gz KFALYFNACFIOCC-ZJUUUORDSA-N 0 3 229.324 0.415 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000353202952 386422552 /nfs/dbraw/zinc/42/25/52/386422552.db2.gz AVPSBZOWIHPPAB-ZYHUDNBSSA-N 0 3 241.335 0.241 20 0 BCADHN CNC(=O)CC(=O)Nc1cccc(CN(C)C)c1 ZINC000347494460 386422660 /nfs/dbraw/zinc/42/26/60/386422660.db2.gz WWEUBNYILYOJOQ-UHFFFAOYSA-N 0 3 249.314 0.823 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)[C@H](N)C1CCC1 ZINC000399139392 386423003 /nfs/dbraw/zinc/42/30/03/386423003.db2.gz UFSNGBUGTLNZEK-WDEREUQCSA-N 0 3 228.336 0.637 20 0 BCADHN CN(CC(F)F)C(=O)[C@H](N)C1CCC1 ZINC000399156437 386425172 /nfs/dbraw/zinc/42/51/72/386425172.db2.gz BMZRRHPNBFPREF-MRVPVSSYSA-N 0 3 206.236 0.837 20 0 BCADHN C[C@@H](NC(=O)[C@H](N)C1CCC1)c1cnn(C)c1 ZINC000399154318 386425516 /nfs/dbraw/zinc/42/55/16/386425516.db2.gz CKIMSXDPCAPHEK-LDYMZIIASA-N 0 3 236.319 0.725 20 0 BCADHN Cc1c(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cnn1C ZINC000336710430 386426083 /nfs/dbraw/zinc/42/60/83/386426083.db2.gz KZYBBCJLASEIIB-CYZMBNFOSA-N 0 3 235.331 0.931 20 0 BCADHN NCC(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000237977179 386427694 /nfs/dbraw/zinc/42/76/94/386427694.db2.gz HRCJLZGOHRSFRC-UHFFFAOYSA-N 0 3 248.330 0.647 20 0 BCADHN CN(C[C@@H]1COCCO1)[C@H]1CCN(C2CC2)C1 ZINC000336712959 386429215 /nfs/dbraw/zinc/42/92/15/386429215.db2.gz SBRCXBKAUYYMBO-QWHCGFSZSA-N 0 3 240.347 0.570 20 0 BCADHN CN(C[C@H]1COCCO1)[C@@H]1CCN(C2CC2)C1 ZINC000336712958 386429368 /nfs/dbraw/zinc/42/93/68/386429368.db2.gz SBRCXBKAUYYMBO-OLZOCXBDSA-N 0 3 240.347 0.570 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)Cn1cccn1 ZINC000299233359 386430077 /nfs/dbraw/zinc/43/00/77/386430077.db2.gz FVXMFKYNGSAKDD-NSHDSACASA-N 0 3 238.335 0.730 20 0 BCADHN Cn1cc(CNC[C@](C)(O)CO)c(C(F)F)n1 ZINC000643385492 386431273 /nfs/dbraw/zinc/43/12/73/386431273.db2.gz KKUHEBAGAFSYLY-JTQLQIEISA-N 0 3 249.261 0.191 20 0 BCADHN Cn1cc(CCN2CCN(C3CC3)CC2)cn1 ZINC000336712932 386431343 /nfs/dbraw/zinc/43/13/43/386431343.db2.gz RZZYNKAEQRWQPU-UHFFFAOYSA-N 0 3 234.347 0.743 20 0 BCADHN CCN(C)CCNC(=O)[C@@H](C)n1cccn1 ZINC000299258875 386431679 /nfs/dbraw/zinc/43/16/79/386431679.db2.gz AWVJUBCZBPCHRB-SNVBAGLBSA-N 0 3 224.308 0.512 20 0 BCADHN COC[C@H]1CCN1C[C@@H]1CNc2ccnn2C1 ZINC000648038637 386452528 /nfs/dbraw/zinc/45/25/28/386452528.db2.gz DAIXNBJVNFBPRL-WDEREUQCSA-N 0 3 236.319 0.646 20 0 BCADHN Cn1cncc1C(=O)NC1CCN(C)CC1 ZINC000277449151 386436207 /nfs/dbraw/zinc/43/62/07/386436207.db2.gz OFRAZHPGLJFKSZ-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN CCC(CC)[C@@H](CNC(=O)C(=O)NC)N(C)C ZINC000340625623 386436426 /nfs/dbraw/zinc/43/64/26/386436426.db2.gz ZHNPKPWDHUYOKV-SNVBAGLBSA-N 0 3 243.351 0.215 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000638943052 386466832 /nfs/dbraw/zinc/46/68/32/386466832.db2.gz GCOVQAGULZXFSS-ZYUZMQFOSA-N 0 3 214.309 0.667 20 0 BCADHN COCCNCCNC(=O)NC[C@@H]1CC1(C)C 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/nfs/dbraw/zinc/47/68/74/386476874.db2.gz GBOCIXRUVHXKHR-VIFPVBQESA-N 0 3 240.328 0.607 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc(F)c(F)c1 ZINC000227344271 386476912 /nfs/dbraw/zinc/47/69/12/386476912.db2.gz GRDMFVXAWVBKET-SECBINFHSA-N 0 3 230.214 0.877 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1cccc(F)c1 ZINC000227346730 386477207 /nfs/dbraw/zinc/47/72/07/386477207.db2.gz IZMTVQYQBZOIKA-LLVKDONJSA-N 0 3 240.278 0.758 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H](C)Cc1cccs1 ZINC000227355297 386477865 /nfs/dbraw/zinc/47/78/65/386477865.db2.gz IRHSAVNEDFYSKJ-WCBMZHEXSA-N 0 3 242.344 0.769 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H](C)Cc1cccs1 ZINC000227355306 386478357 /nfs/dbraw/zinc/47/83/57/386478357.db2.gz IRHSAVNEDFYSKJ-SCZZXKLOSA-N 0 3 242.344 0.769 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1ccc(C)o1 ZINC000227349199 386478961 /nfs/dbraw/zinc/47/89/61/386478961.db2.gz UBDIISAGTKOJIM-SNVBAGLBSA-N 0 3 226.276 0.520 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CN2CCOCC2)[C@H]1C ZINC000339562757 386479129 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ZINC000227967391 386524851 /nfs/dbraw/zinc/52/48/51/386524851.db2.gz UAEHTNHSFAJMKJ-CMPLNLGQSA-N 0 3 239.319 0.358 20 0 BCADHN COC[C@H](O)CN1CCC[C@H]2OCC[C@H]21 ZINC000366474519 386525183 /nfs/dbraw/zinc/52/51/83/386525183.db2.gz WSTXBHCJPFQPFK-GMTAPVOTSA-N 0 3 215.293 0.247 20 0 BCADHN CO[C@@H](C)CN(C)[C@H](C)CN1CCOCC1 ZINC000353224234 386525636 /nfs/dbraw/zinc/52/56/36/386525636.db2.gz YJRSWTWBYMNVRH-NEPJUHHUSA-N 0 3 230.352 0.674 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@@]1(O)CCO[C@H]1C ZINC000227977725 386525681 /nfs/dbraw/zinc/52/56/81/386525681.db2.gz MCAXNXQRARTWES-JQWIXIFHSA-N 0 3 239.319 0.656 20 0 BCADHN C[C@@H]1OCC[C@@]1(O)CNCc1cccnc1 ZINC000227979279 386526005 /nfs/dbraw/zinc/52/60/05/386526005.db2.gz OAPZTFGKENTCCZ-CMPLNLGQSA-N 0 3 222.288 0.711 20 0 BCADHN COc1ccccc1NC(=O)COC1CNC1 ZINC000062809840 386526975 /nfs/dbraw/zinc/52/69/75/386526975.db2.gz MWWTZBXSLBXCJB-UHFFFAOYSA-N 0 3 236.271 0.622 20 0 BCADHN C[C@@H](N)C(=O)N(C)Cc1cn2c(n1)CCCC2 ZINC000335452281 386527155 /nfs/dbraw/zinc/52/71/55/386527155.db2.gz NDOHBSHLQMEEPD-SECBINFHSA-N 0 3 236.319 0.525 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)Nc2cccn(C)c2=O)C1 ZINC000335452761 386527430 /nfs/dbraw/zinc/52/74/30/386527430.db2.gz SOENCWZRGFHUHM-GXSJLCMTSA-N 0 3 249.314 0.712 20 0 BCADHN COCCNCCNC(=O)NC[C@H]1C[C@H]1C ZINC000417143397 386454750 /nfs/dbraw/zinc/45/47/50/386454750.db2.gz UQBWJLSRFSKPLO-NXEZZACHSA-N 0 3 229.324 0.178 20 0 BCADHN CN(CCNC(=O)c1ccon1)C1CC1 ZINC000299441651 386456551 /nfs/dbraw/zinc/45/65/51/386456551.db2.gz XTEGCYVLAQITAP-UHFFFAOYSA-N 0 3 209.249 0.499 20 0 BCADHN C[C@H](CN1C[C@@H](O)[C@@H](O)C1)c1ccc(F)cc1 ZINC000278448849 386528136 /nfs/dbraw/zinc/52/81/36/386528136.db2.gz XKYHBBBIKPQSCI-WQAKAFBOSA-N 0 3 239.290 0.967 20 0 BCADHN COC(=O)CCN1CCN(C)CC1(C)C ZINC000347578882 386459305 /nfs/dbraw/zinc/45/93/05/386459305.db2.gz BRAVUCMJMMKTBL-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN C[C@H](C(=O)NC[C@H]1CNCCO1)C(C)(C)C ZINC000399223846 386460351 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/nfs/dbraw/zinc/58/50/25/386585025.db2.gz DMMKVXSMXAWPOG-WDEREUQCSA-N 0 3 234.303 0.286 20 0 BCADHN C[C@H]1CN(CCCF)CCN1CCO ZINC000187732452 386585716 /nfs/dbraw/zinc/58/57/16/386585716.db2.gz SXBBFYZTQWKGNG-JTQLQIEISA-N 0 3 204.289 0.344 20 0 BCADHN CCN(CCO)CCNC(=O)c1ncc(C)o1 ZINC000291795367 386585767 /nfs/dbraw/zinc/58/57/67/386585767.db2.gz QATMDUDSIIOEIN-UHFFFAOYSA-N 0 3 241.291 0.027 20 0 BCADHN CCc1ccc(CCN2C[C@@H](O)[C@H](O)C2)cc1 ZINC000278821338 386589225 /nfs/dbraw/zinc/58/92/25/386589225.db2.gz PQMBXFZITQOUNW-ZIAGYGMSSA-N 0 3 235.327 0.829 20 0 BCADHN C[C@H](C[NH3+])NC(=O)NCc1ccc([O-])c(F)c1 ZINC000417715857 386591415 /nfs/dbraw/zinc/59/14/15/386591415.db2.gz JHADNEPHZLXEFO-SSDOTTSWSA-N 0 3 241.266 0.678 20 0 BCADHN CSC[C@@H](O)CN1CC[C@H](n2cccn2)C1 ZINC000291868952 386594429 /nfs/dbraw/zinc/59/44/29/386594429.db2.gz PPLVHVHQINKCRY-QWRGUYRKSA-N 0 3 241.360 0.854 20 0 BCADHN COC(=O)CC1(NCC(=O)N(C)C)CCC1 ZINC000336757108 386594644 /nfs/dbraw/zinc/59/46/44/386594644.db2.gz HMDRRRCMLDBSSX-UHFFFAOYSA-N 0 3 228.292 0.150 20 0 BCADHN CNC(=O)CCCC(=O)N1CCNC(C)(C)C1 ZINC000408437326 386594773 /nfs/dbraw/zinc/59/47/73/386594773.db2.gz UDROZUSFEJQJAD-UHFFFAOYSA-N 0 3 241.335 0.113 20 0 BCADHN CO[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1O ZINC000451761217 386594780 /nfs/dbraw/zinc/59/47/80/386594780.db2.gz NDJBVIYRXDQFKI-YNEHKIRRSA-N 0 3 243.347 0.619 20 0 BCADHN CC(=O)c1c[nH]c(C(=O)NC[C@H]2CCN(C)C2)c1 ZINC000104188646 386595630 /nfs/dbraw/zinc/59/56/30/386595630.db2.gz NINPOMDXWIOWRW-SNVBAGLBSA-N 0 3 249.314 0.899 20 0 BCADHN C[C@@H](CN1C[C@@H](O)[C@@H](O)C1)c1ccc(F)cc1 ZINC000278448848 386530857 /nfs/dbraw/zinc/53/08/57/386530857.db2.gz XKYHBBBIKPQSCI-TVYUQYBPSA-N 0 3 239.290 0.967 20 0 BCADHN C[C@@H]1[C@@H](NCc2cncn2C)CCCN1C ZINC000336755210 386531268 /nfs/dbraw/zinc/53/12/68/386531268.db2.gz XOPZEUCSIIWGNG-PWSUYJOCSA-N 0 3 222.336 0.992 20 0 BCADHN Cn1nccc1CCN(CC(N)=O)C(C)(C)C ZINC000278503840 386535281 /nfs/dbraw/zinc/53/52/81/386535281.db2.gz AQEHUNVLLIQBCG-UHFFFAOYSA-N 0 3 238.335 0.548 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCO[C@H](C)C1 ZINC000637898810 386538765 /nfs/dbraw/zinc/53/87/65/386538765.db2.gz CAVTUSNIGXHOCE-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN Cc1c(CN[C@@]2(CCO)CCOC2)cnn1C ZINC000278514818 386540479 /nfs/dbraw/zinc/54/04/79/386540479.db2.gz QKXTYQBJVROBCI-LBPRGKRZSA-N 0 3 239.319 0.360 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)c1cnn(C)c1 ZINC000262629300 386541934 /nfs/dbraw/zinc/54/19/34/386541934.db2.gz DBDOYRQLORYWCG-VIFPVBQESA-N 0 3 210.281 0.366 20 0 BCADHN CC[C@H](N)C(=O)N1CCN2CCC1CC2 ZINC000335462359 386545542 /nfs/dbraw/zinc/54/55/42/386545542.db2.gz FBXZEKLJPSUPNY-JTQLQIEISA-N 0 3 211.309 0.030 20 0 BCADHN Cc1nnsc1CNC[C@H]1CCCNC1=O ZINC000639259759 386551423 /nfs/dbraw/zinc/55/14/23/386551423.db2.gz CWIBTTBKUWYFQS-MRVPVSSYSA-N 0 3 240.332 0.462 20 0 BCADHN CO[C@@H](CN[C@H](C)CS(C)(=O)=O)C(C)C ZINC000336756123 386552305 /nfs/dbraw/zinc/55/23/05/386552305.db2.gz IKTXKMBEGXHRBT-ZJUUUORDSA-N 0 3 237.365 0.680 20 0 BCADHN NC(=O)[C@@H]1CCCN1CC[C@@H]1CCOC1 ZINC000408414586 386554469 /nfs/dbraw/zinc/55/44/69/386554469.db2.gz LFGPEWNLTKNCHH-ZJUUUORDSA-N 0 3 212.293 0.363 20 0 BCADHN CN(CCO[C@@H]1CCCCO1)[C@@H]1COC[C@H]1O ZINC000329028084 386597461 /nfs/dbraw/zinc/59/74/61/386597461.db2.gz ADQWLCJMULBSOA-IJLUTSLNSA-N 0 3 245.319 0.221 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)[C@@H]1CCCN1C ZINC000354090216 386555644 /nfs/dbraw/zinc/55/56/44/386555644.db2.gz BBEXLRIQWQBELJ-LBPRGKRZSA-N 0 3 239.363 0.633 20 0 BCADHN O=C([C@@H]1CCCCN1)N1CCCOCC1 ZINC000061920510 386555836 /nfs/dbraw/zinc/55/58/36/386555836.db2.gz UPIOKTUKQXAKFY-JTQLQIEISA-N 0 3 212.293 0.377 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCNC[C@](C)(F)C1 ZINC000335467502 386555831 /nfs/dbraw/zinc/55/58/31/386555831.db2.gz SNGRTYWBEQANJQ-CABZTGNLSA-N 0 3 243.326 0.287 20 0 BCADHN CCOCC[C@@H](O)CN[C@H](C)c1cnn(C)c1 ZINC000278854026 386597521 /nfs/dbraw/zinc/59/75/21/386597521.db2.gz RPZZEDZTZKNVPA-ZYHUDNBSSA-N 0 3 241.335 0.858 20 0 BCADHN C([C@@H]1CCSC1)N1CCN2CCOC[C@H]2C1 ZINC000335403471 386557668 /nfs/dbraw/zinc/55/76/68/386557668.db2.gz FTMHDUKSEZGQNJ-NWDGAFQWSA-N 0 3 242.388 0.756 20 0 BCADHN CO[C@H]1C[C@@H](N(C)C(=O)C(C)S(C)(=O)=O)C1 ZINC000332060908 386559277 /nfs/dbraw/zinc/55/92/77/386559277.db2.gz PMLUMWXILKKMPU-HLTSFMKQSA-N 0 3 249.332 0.055 20 0 BCADHN CS[C@@H]1CC[C@H]1N[C@H]1CCS(=O)(=O)C1 ZINC000425323087 386560805 /nfs/dbraw/zinc/56/08/05/386560805.db2.gz KGTBFBLWOFQUPJ-DJLDLDEBSA-N 0 3 235.374 0.657 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@H]1CCS(=O)(=O)C1 ZINC000425323092 386562733 /nfs/dbraw/zinc/56/27/33/386562733.db2.gz KGTBFBLWOFQUPJ-XHNCKOQMSA-N 0 3 235.374 0.657 20 0 BCADHN COC[C@@H]1CCN(Cc2cncn2C)C1 ZINC000267612671 386563310 /nfs/dbraw/zinc/56/33/10/386563310.db2.gz OHZQPOCQELOAJY-SNVBAGLBSA-N 0 3 209.293 0.888 20 0 BCADHN C[C@H](CNC(=O)c1cccc(N)n1)N(C)C1CC1 ZINC000228332584 386563809 /nfs/dbraw/zinc/56/38/09/386563809.db2.gz ZBVMQCMJHJNQDZ-SECBINFHSA-N 0 3 248.330 0.876 20 0 BCADHN Cc1ncc(C(=O)N2CCNC[C@H]2C)[nH]1 ZINC000335406399 386566837 /nfs/dbraw/zinc/56/68/37/386566837.db2.gz LLNLIRMAKDYUHN-SSDOTTSWSA-N 0 3 208.265 0.152 20 0 BCADHN C[C@H]1CN(CCOC(C)(C)C)CCN1CCO ZINC000187655011 386569864 /nfs/dbraw/zinc/56/98/64/386569864.db2.gz QDPAPIYQSVWIGJ-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN CC[C@@H](C)N(C)CCNS(=O)(=O)N1CCC1 ZINC000332080600 386572930 /nfs/dbraw/zinc/57/29/30/386572930.db2.gz ZZJJVSQTDMHVQZ-SNVBAGLBSA-N 0 3 249.380 0.257 20 0 BCADHN Cc1ccsc1[C@@H](CO)NCCO ZINC000336646280 386620943 /nfs/dbraw/zinc/62/09/43/386620943.db2.gz CGKCQPBSIHLNHC-MRVPVSSYSA-N 0 3 201.291 0.672 20 0 BCADHN C[C@H]1OCC[C@@H]1N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000329175729 386625175 /nfs/dbraw/zinc/62/51/75/386625175.db2.gz MFYUAJKPMPHDOY-KATARQTJSA-N 0 3 233.333 0.329 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCn1ccccc1=O ZINC000644938599 386626193 /nfs/dbraw/zinc/62/61/93/386626193.db2.gz WZSAWVLXPGSWPR-CYBMUJFWSA-N 0 3 249.358 0.874 20 0 BCADHN C[C@H](NC(=O)[C@@H]1C[C@@H]1N)c1cscn1 ZINC000520255473 386626635 /nfs/dbraw/zinc/62/66/35/386626635.db2.gz NJCHRTPQZYERDP-XVMARJQXSA-N 0 3 211.290 0.668 20 0 BCADHN C[C@H](O)CCN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425553853 386626730 /nfs/dbraw/zinc/62/67/30/386626730.db2.gz VBXWVYQJSJZKJH-DTWKUNHWSA-N 0 3 210.281 0.365 20 0 BCADHN CC[C@H]1CN(C)CCN1CCn1ccccc1=O ZINC000644938600 386626888 /nfs/dbraw/zinc/62/68/88/386626888.db2.gz WZSAWVLXPGSWPR-ZDUSSCGKSA-N 0 3 249.358 0.874 20 0 BCADHN CN(C(=O)[C@@H](N)C1CCC1)c1cnn(C)c1 ZINC000335500606 386627093 /nfs/dbraw/zinc/62/70/93/386627093.db2.gz IZGMKWWXDVPRLD-JTQLQIEISA-N 0 3 222.292 0.510 20 0 BCADHN C[C@H](O)CCCN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425555645 386627340 /nfs/dbraw/zinc/62/73/40/386627340.db2.gz YLNXRPAOUKFSPM-VHSXEESVSA-N 0 3 224.308 0.755 20 0 BCADHN CN(C)C(=O)CCN(C)[C@H]1CCC(=O)N(C)C1 ZINC000520249201 386629331 /nfs/dbraw/zinc/62/93/31/386629331.db2.gz QZUHDTJQFCGYME-JTQLQIEISA-N 0 3 241.335 0.017 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CC[C@](O)(CC)C1 ZINC000425923153 386631478 /nfs/dbraw/zinc/63/14/78/386631478.db2.gz SZHTVRZRKDPBDS-VXGBXAGGSA-N 0 3 245.319 0.147 20 0 BCADHN CCN(CCCO)CCN1CCOC[C@@H]1C ZINC000337178879 386635376 /nfs/dbraw/zinc/63/53/76/386635376.db2.gz LBNGFZQFOVMZCK-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN O=C(Nc1cc(F)ccc1[O-])[C@H]1CC[NH2+]1 ZINC000335509508 386643149 /nfs/dbraw/zinc/64/31/49/386643149.db2.gz FMDSHEQTPXYSIS-SSDOTTSWSA-N 0 3 210.208 0.832 20 0 BCADHN CO[C@@H]1[C@H](C)[C@@H](NCc2cnnn2C)C1(C)C ZINC000329287131 386645951 /nfs/dbraw/zinc/64/59/51/386645951.db2.gz POBRFTXCTHGXTL-FBIMIBRVSA-N 0 3 238.335 0.964 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCN1CCCCC1 ZINC000049575438 386646127 /nfs/dbraw/zinc/64/61/27/386646127.db2.gz KEQYWOFZUKXFKT-RYUDHWBXSA-N 0 3 241.379 0.962 20 0 BCADHN CCOC[C@H](O)CNCc1cnc(C)nc1 ZINC000336782494 386646330 /nfs/dbraw/zinc/64/63/30/386646330.db2.gz XVEYTLANLNWEGV-LLVKDONJSA-N 0 3 225.292 0.272 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2ccsn2)C1 ZINC000335512563 386648011 /nfs/dbraw/zinc/64/80/11/386648011.db2.gz FNWHEGBBVUWMMY-MRVPVSSYSA-N 0 3 225.317 0.967 20 0 BCADHN C[C@H](CC(N)=O)NCc1ccc2cc[nH]c2n1 ZINC000353630740 386648183 /nfs/dbraw/zinc/64/81/83/386648183.db2.gz NMFCJSKTZJQLNY-MRVPVSSYSA-N 0 3 232.287 0.916 20 0 BCADHN Cc1cc(CC(=O)NC[C@H](C)N(C)C)n[nH]1 ZINC000267934173 386599964 /nfs/dbraw/zinc/59/99/64/386599964.db2.gz GELNOJBCMCFGBV-VIFPVBQESA-N 0 3 224.308 0.327 20 0 BCADHN C[NH2+]C[C@@H](C)C(=O)Nc1ccncc1[O-] ZINC000520225714 386607886 /nfs/dbraw/zinc/60/78/86/386607886.db2.gz QMWKFCVHCVFMHE-SSDOTTSWSA-N 0 3 209.249 0.003 20 0 BCADHN C[C@H](O)CN(C)[C@H]1Cc2ccccc2[C@H]1O ZINC000245848361 386608522 /nfs/dbraw/zinc/60/85/22/386608522.db2.gz LUXAXIJXBLNTRK-TVYUQYBPSA-N 0 3 221.300 0.957 20 0 BCADHN Cn1cccc1CN1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000365656011 386609378 /nfs/dbraw/zinc/60/93/78/386609378.db2.gz JGTNQNNVPKBKGF-CMPLNLGQSA-N 0 3 233.315 0.593 20 0 BCADHN Cn1cccc1CN1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000365656014 386610984 /nfs/dbraw/zinc/61/09/84/386610984.db2.gz JGTNQNNVPKBKGF-ZYHUDNBSSA-N 0 3 233.315 0.593 20 0 BCADHN CCC(O)(CC)CNC(=O)Cc1nc[nH]c1C ZINC000278961020 386611992 /nfs/dbraw/zinc/61/19/92/386611992.db2.gz WRCDNUXHAUXGTC-UHFFFAOYSA-N 0 3 239.319 0.928 20 0 BCADHN CC[C@H](F)CN[C@@H](CO)[C@H]1CCCO1 ZINC000336645450 386612062 /nfs/dbraw/zinc/61/20/62/386612062.db2.gz BQLQFDNQILBPRZ-LPEHRKFASA-N 0 3 205.273 0.864 20 0 BCADHN O=C1C[C@]2(CCN(Cc3ccncc3)C2)CN1 ZINC000278984289 386614472 /nfs/dbraw/zinc/61/44/72/386614472.db2.gz ZQRDWAOMQOQQNG-CYBMUJFWSA-N 0 3 231.299 0.794 20 0 BCADHN C[C@@H](O)C[C@@H](C)CNC(=O)C(C)(C)N ZINC000336757732 386616123 /nfs/dbraw/zinc/61/61/23/386616123.db2.gz KFIFAYCZGAFCDG-HTQZYQBOSA-N 0 3 202.298 0.247 20 0 BCADHN CCNC(=O)C(C)(C)NC[C@H]1CCCO1 ZINC000312816220 386659589 /nfs/dbraw/zinc/65/95/89/386659589.db2.gz CWWMAMLBNJVHFU-SECBINFHSA-N 0 3 214.309 0.670 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC12CCSCC2 ZINC000520394923 386662926 /nfs/dbraw/zinc/66/29/26/386662926.db2.gz CATDQJXUQZIXIN-KXUCPTDWSA-N 0 3 240.372 0.983 20 0 BCADHN CC(C)[C@H](SCCN(C)C)C(=O)NC(N)=O ZINC000120237457 386663488 /nfs/dbraw/zinc/66/34/88/386663488.db2.gz LTYRQQYTDIGUAM-QMMMGPOBSA-N 0 3 247.364 0.501 20 0 BCADHN C[C@H](O)CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000337226351 386663401 /nfs/dbraw/zinc/66/34/01/386663401.db2.gz FXCFFBXUZXOVNR-JQWIXIFHSA-N 0 3 229.320 0.637 20 0 BCADHN CCN(CCC(=O)OC)CCn1cncn1 ZINC000336647599 386663449 /nfs/dbraw/zinc/66/34/49/386663449.db2.gz FPQSEUFYAMVULL-UHFFFAOYSA-N 0 3 226.280 0.163 20 0 BCADHN C[C@H](O)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000337226350 386664285 /nfs/dbraw/zinc/66/42/85/386664285.db2.gz FXCFFBXUZXOVNR-CMPLNLGQSA-N 0 3 229.320 0.637 20 0 BCADHN CCN1CCC(NC(=O)[C@H]2CCC(=O)C2)CC1 ZINC000335522702 386664965 /nfs/dbraw/zinc/66/49/65/386664965.db2.gz XZONAJJFBJJXIN-JTQLQIEISA-N 0 3 238.331 0.956 20 0 BCADHN NCC(=O)N1CCOC2(C1)CCCCCC2 ZINC000335527024 386671433 /nfs/dbraw/zinc/67/14/33/386671433.db2.gz BQFHMIOIIDJIBE-UHFFFAOYSA-N 0 3 226.320 0.897 20 0 BCADHN CN(C)CCNC(=O)c1cc(C2CC2)n[nH]1 ZINC000041452492 386671635 /nfs/dbraw/zinc/67/16/35/386671635.db2.gz FJJJATCHNQAWPX-UHFFFAOYSA-N 0 3 222.292 0.579 20 0 BCADHN COCCn1cc(CN[C@H]2CCO[C@@H]2C)cn1 ZINC000337238631 386672117 /nfs/dbraw/zinc/67/21/17/386672117.db2.gz DLMBASHFWNGZIL-PWSUYJOCSA-N 0 3 239.319 0.797 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@]2(CNC(=O)C2)C1 ZINC000279384867 386673172 /nfs/dbraw/zinc/67/31/72/386673172.db2.gz JROVSVQMOARYPE-LBPRGKRZSA-N 0 3 234.303 0.430 20 0 BCADHN C[C@@H](O)CN1[C@H](C)CN(C[C@H](C)O)C[C@@H]1C ZINC000337243309 386674118 /nfs/dbraw/zinc/67/41/18/386674118.db2.gz NRZRRCMAGUXLTP-WHOHXGKFSA-N 0 3 230.352 0.143 20 0 BCADHN Cc1noc(CCCN2CC[C@@H](CO)C2)n1 ZINC000330363606 386674939 /nfs/dbraw/zinc/67/49/39/386674939.db2.gz LMMSOAGBMISFMS-SNVBAGLBSA-N 0 3 225.292 0.625 20 0 BCADHN C[C@H](O)CN1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000337229033 386679979 /nfs/dbraw/zinc/67/99/79/386679979.db2.gz HKYMEZDRZQAZPX-GARJFASQSA-N 0 3 215.293 0.247 20 0 BCADHN CCN(CCN1C(=O)CCC1=O)C[C@H](C)OC ZINC000643420376 386681025 /nfs/dbraw/zinc/68/10/25/386681025.db2.gz WNLCFOPHIYANKD-JTQLQIEISA-N 0 3 242.319 0.492 20 0 BCADHN C[C@@H](O)CN1CCN(C[C@H](C)O)C(C)(C)C1 ZINC000337187158 386657490 /nfs/dbraw/zinc/65/74/90/386657490.db2.gz PTWODVUXLONMOY-MNOVXSKESA-N 0 3 230.352 0.144 20 0 BCADHN C[C@H]1CC2(CCC2)CN1CCNS(C)(=O)=O ZINC000335521201 386658041 /nfs/dbraw/zinc/65/80/41/386658041.db2.gz GFPGBHVNDDRSME-JTQLQIEISA-N 0 3 246.376 0.800 20 0 BCADHN C[C@H](O)CN1CCN(C[C@H](C)O)C(C)(C)C1 ZINC000337187159 386658544 /nfs/dbraw/zinc/65/85/44/386658544.db2.gz PTWODVUXLONMOY-QWRGUYRKSA-N 0 3 230.352 0.144 20 0 BCADHN CC(C)[C@H](C(=O)N(C)Cc1nnc[n-]1)[NH+](C)C ZINC000268516394 386658824 /nfs/dbraw/zinc/65/88/24/386658824.db2.gz SROHRDATMWDUEF-SNVBAGLBSA-N 0 3 239.323 0.349 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000121623629 386709649 /nfs/dbraw/zinc/70/96/49/386709649.db2.gz RGQFTKGHBUIZJI-BQBZGAKWSA-N 0 3 240.307 0.892 20 0 BCADHN COC(=O)c1cn(CCN(C)C)c(C)n1 ZINC000357069765 386710126 /nfs/dbraw/zinc/71/01/26/386710126.db2.gz UEVBLFRNJYAUIW-UHFFFAOYSA-N 0 3 211.265 0.540 20 0 BCADHN CC(C)n1nccc1CN1CC[C@H](C(N)=O)C1 ZINC000279626237 386710982 /nfs/dbraw/zinc/71/09/82/386710982.db2.gz KMQKBVJLQANFRX-JTQLQIEISA-N 0 3 236.319 0.771 20 0 BCADHN Cc1cc(C(=O)NCCC[NH+](C)C)[n-]c(=O)n1 ZINC000268875103 386711398 /nfs/dbraw/zinc/71/13/98/386711398.db2.gz QRMNTMWZHALHHE-UHFFFAOYSA-N 0 3 238.291 0.172 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cn3c(n2)CCC3)[C@H]1C ZINC000335470656 386687754 /nfs/dbraw/zinc/68/77/54/386687754.db2.gz PZCWBOVIFQAKNQ-UWVGGRQHSA-N 0 3 248.330 0.652 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CC[C@@H]1C(=O)OC ZINC000352839625 386687677 /nfs/dbraw/zinc/68/76/77/386687677.db2.gz ADCQJIQFNOTJAO-UWVGGRQHSA-N 0 3 242.319 0.254 20 0 BCADHN COC(=O)CCCN1CCN(C)[C@H](C)[C@H]1C ZINC000357011751 386688613 /nfs/dbraw/zinc/68/86/13/386688613.db2.gz YGMIOQCACGEXFO-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN Cc1[nH]cnc1CC(=O)NCc1ccc(=O)[nH]c1 ZINC000279502473 386691614 /nfs/dbraw/zinc/69/16/14/386691614.db2.gz SSNGJYRIYBCTMF-UHFFFAOYSA-N 0 3 246.270 0.678 20 0 BCADHN NC1(C(=O)N2CCC(c3c[nH]cn3)CC2)CCC1 ZINC000335471282 386692250 /nfs/dbraw/zinc/69/22/50/386692250.db2.gz SDJQVBVAJQRYGG-UHFFFAOYSA-N 0 3 248.330 0.997 20 0 BCADHN CCN(CCCO)C(=O)CN(C)C(C)C ZINC000339838379 386692684 /nfs/dbraw/zinc/69/26/84/386692684.db2.gz QUAMKNSCBBLHOV-UHFFFAOYSA-N 0 3 216.325 0.558 20 0 BCADHN Cc1c[nH]nc1CNCCN1CCOC[C@H]1C ZINC000352840599 386694805 /nfs/dbraw/zinc/69/48/05/386694805.db2.gz OAKPDTARKUBIKR-LLVKDONJSA-N 0 3 238.335 0.528 20 0 BCADHN O=C1NC[C@@H]2[C@H]1CCCN2CC[C@@H]1CCCO1 ZINC000337262042 386694928 /nfs/dbraw/zinc/69/49/28/386694928.db2.gz YJHRCRLSQZKFBG-QJPTWQEYSA-N 0 3 238.331 0.766 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000330381457 386695596 /nfs/dbraw/zinc/69/55/96/386695596.db2.gz NJZFXQZKJLHJLB-NSHDSACASA-N 0 3 241.335 0.065 20 0 BCADHN CC[C@H](NCCn1cncn1)c1cnn(C)c1 ZINC000268814425 386697873 /nfs/dbraw/zinc/69/78/73/386697873.db2.gz JXZCBCZOQRKBNO-NSHDSACASA-N 0 3 234.307 0.753 20 0 BCADHN C[C@@H]1[C@@H](C)N(Cc2ncnn2C)CCN1C ZINC000357041848 386701480 /nfs/dbraw/zinc/70/14/80/386701480.db2.gz PRRXFCXMNAPXNI-NXEZZACHSA-N 0 3 223.324 0.340 20 0 BCADHN C[C@H](N)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000335476523 386701801 /nfs/dbraw/zinc/70/18/01/386701801.db2.gz CXIPAQCXQXXWRQ-GXSJLCMTSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1CCn1cncn1 ZINC000357039334 386702148 /nfs/dbraw/zinc/70/21/48/386702148.db2.gz NZOFNBPEIMJFFA-WDEREUQCSA-N 0 3 223.324 0.303 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@H](O)COC ZINC000520571668 386702284 /nfs/dbraw/zinc/70/22/84/386702284.db2.gz BEUPURHKZAXRKI-QWRGUYRKSA-N 0 3 216.325 0.020 20 0 BCADHN CCN(C)CCNC(=O)Cc1cnn(C)c1C ZINC000292656546 386704291 /nfs/dbraw/zinc/70/42/91/386704291.db2.gz FEPOHYQSBMUPAP-UHFFFAOYSA-N 0 3 238.335 0.339 20 0 BCADHN Cc1nnc(CN2CCN(C)[C@@H](C)[C@H]2C)n1C ZINC000357048325 386704994 /nfs/dbraw/zinc/70/49/94/386704994.db2.gz ZNINBVODWATQOE-VHSXEESVSA-N 0 3 237.351 0.648 20 0 BCADHN Cn1cncc1CN1CCNC[C@@](C)(F)C1 ZINC000335480319 386707532 /nfs/dbraw/zinc/70/75/32/386707532.db2.gz NQGMJBBAAMNFLB-LLVKDONJSA-N 0 3 226.299 0.554 20 0 BCADHN CC[C@@H](C(=O)N(C)Cc1nccn1C)N(C)C ZINC000268857851 386707905 /nfs/dbraw/zinc/70/79/05/386707905.db2.gz UVGPECZMWSNCNR-JTQLQIEISA-N 0 3 238.335 0.719 20 0 BCADHN c1n[nH]nc1CCN1CCN(C2CCCC2)CC1 ZINC000647958297 386708058 /nfs/dbraw/zinc/70/80/58/386708058.db2.gz MWKHUXUADRVTLL-UHFFFAOYSA-N 0 3 249.362 0.907 20 0 BCADHN O=C(C[C@H]1CNCCO1)N[C@@H]1C=CCCC1 ZINC000335534016 386734690 /nfs/dbraw/zinc/73/46/90/386734690.db2.gz RUYZMVAPGRWPIM-MNOVXSKESA-N 0 3 224.304 0.590 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N1CC[C@@H](C)C1 ZINC000330404885 386714469 /nfs/dbraw/zinc/71/44/69/386714469.db2.gz HHGLNHNWLHIYGD-BDAKNGLRSA-N 0 3 228.292 0.006 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCCNc1ccccn1 ZINC000645331322 386717718 /nfs/dbraw/zinc/71/77/18/386717718.db2.gz IMCKVNBOGRRSOD-LLVKDONJSA-N 0 3 248.330 0.608 20 0 BCADHN CCn1nccc1CN[C@H]1C[C@@](C)(O)C1 ZINC000418108921 386722801 /nfs/dbraw/zinc/72/28/01/386722801.db2.gz HKEBSVVGTRDALL-JGZJWPJOSA-N 0 3 209.293 0.906 20 0 BCADHN COC[C@H](O)CN[C@@H](C)c1cnc(C)nc1C ZINC000268945188 386725512 /nfs/dbraw/zinc/72/55/12/386725512.db2.gz UGPNUOCNTJZTKO-GZMMTYOYSA-N 0 3 239.319 0.751 20 0 BCADHN CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726726 386727338 /nfs/dbraw/zinc/72/73/38/386727338.db2.gz QCFDREIZSMTBLZ-ZWNOBZJWSA-N 0 3 239.363 0.857 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726726 386727343 /nfs/dbraw/zinc/72/73/43/386727343.db2.gz QCFDREIZSMTBLZ-ZWNOBZJWSA-N 0 3 239.363 0.857 20 0 BCADHN CC[C@H](C(=O)N1CCNC(C)(C)C1)N(C)C ZINC000335543240 386727680 /nfs/dbraw/zinc/72/76/80/386727680.db2.gz UIKWMGOQFPLCSU-SNVBAGLBSA-N 0 3 227.352 0.537 20 0 BCADHN COC(=O)C1(O)CCN(CC[C@@H](C)F)CC1 ZINC000367137303 386729984 /nfs/dbraw/zinc/72/99/84/386729984.db2.gz HIFADGGNVHKSFW-SECBINFHSA-N 0 3 233.283 0.734 20 0 BCADHN CC[C@H](N[C@H](CCO)COC)c1cnn(C)c1 ZINC000268990644 386730120 /nfs/dbraw/zinc/73/01/20/386730120.db2.gz GUWXQVYBPGTTPQ-NEPJUHHUSA-N 0 3 241.335 0.858 20 0 BCADHN CCOC[C@@H](O)CN[C@H](C)c1cnn(C)c1 ZINC000269056421 386745240 /nfs/dbraw/zinc/74/52/40/386745240.db2.gz SIEQBQBSVQSPMY-KOLCDFICSA-N 0 3 227.308 0.468 20 0 BCADHN C[C@@H]1C[C@H](N(C)C(=O)c2c[nH]cn2)CCN1C ZINC000357234957 386745729 /nfs/dbraw/zinc/74/57/29/386745729.db2.gz PANFEXIJIXOUOA-NXEZZACHSA-N 0 3 236.319 0.964 20 0 BCADHN O=C1CC[C@H]2CN(CC3CCOCC3)CCN12 ZINC000334151735 386748463 /nfs/dbraw/zinc/74/84/63/386748463.db2.gz SCSASECCZGZBTO-LBPRGKRZSA-N 0 3 238.331 0.720 20 0 BCADHN C[C@@H](N)C(=O)NCCN(C)Cc1ccccc1 ZINC000165932057 386751029 /nfs/dbraw/zinc/75/10/29/386751029.db2.gz MSTAKUXVEXNZMN-LLVKDONJSA-N 0 3 235.331 0.582 20 0 BCADHN C[C@@H]1C[C@H]1CN1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000648065940 386754992 /nfs/dbraw/zinc/75/49/92/386754992.db2.gz SWWHMEDVMFFGJU-WOPDTQHZSA-N 0 3 239.363 0.694 20 0 BCADHN NC(=O)c1ccc(CNCCN2CCC2)cc1 ZINC000344832217 386756221 /nfs/dbraw/zinc/75/62/21/386756221.db2.gz CNIOPUANALEWKE-UHFFFAOYSA-N 0 3 233.315 0.581 20 0 BCADHN COCCN1CCC[C@@H]1CNCc1cocn1 ZINC000192305797 386757094 /nfs/dbraw/zinc/75/70/94/386757094.db2.gz XVMXWUORQZMJCT-GFCCVEGCSA-N 0 3 239.319 0.875 20 0 BCADHN COc1cc(N2CCN3CCC2CC3)ncn1 ZINC000344830346 386757511 /nfs/dbraw/zinc/75/75/11/386757511.db2.gz LXCBFFACXJHOIL-UHFFFAOYSA-N 0 3 234.303 0.770 20 0 BCADHN CN(CCCn1ccnc1)CCn1cncn1 ZINC000269185826 386760495 /nfs/dbraw/zinc/76/04/95/386760495.db2.gz LRFSHPOLJOYUBN-UHFFFAOYSA-N 0 3 234.307 0.497 20 0 BCADHN CC[C@H](O)CN1CC[C@](O)(C(F)(F)F)C1 ZINC000336663817 386760894 /nfs/dbraw/zinc/76/08/94/386760894.db2.gz CXEPSTXPKMELEG-JGVFFNPUSA-N 0 3 227.226 0.756 20 0 BCADHN Cc1ccc(NC(=O)C(=O)NC(C)(C)CN)cc1 ZINC000269183331 386760981 /nfs/dbraw/zinc/76/09/81/386760981.db2.gz QVMBDWHLLNRQFV-UHFFFAOYSA-N 0 3 249.314 0.787 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H](C)Cn1cncn1 ZINC000269232843 386763162 /nfs/dbraw/zinc/76/31/62/386763162.db2.gz PYOICFILIAYVLN-GXSJLCMTSA-N 0 3 239.323 0.300 20 0 BCADHN Cc1nnc(CN[C@H]2CCC[C@@H]2CCO)n1C ZINC000330552265 386764418 /nfs/dbraw/zinc/76/44/18/386764418.db2.gz CZMARBKWZYKGTR-MNOVXSKESA-N 0 3 238.335 0.764 20 0 BCADHN Cc1nnc(CN[C@H]2CCC[C@H]2CCO)n1C ZINC000330552266 386764707 /nfs/dbraw/zinc/76/47/07/386764707.db2.gz CZMARBKWZYKGTR-QWRGUYRKSA-N 0 3 238.335 0.764 20 0 BCADHN C[C@@H](NC(N)=O)C(=O)N(C)CCN1CCCC1 ZINC000330549563 386764829 /nfs/dbraw/zinc/76/48/29/386764829.db2.gz WVQFDHJEGCKGIM-SECBINFHSA-N 0 3 242.323 0.011 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)Cn1cncn1 ZINC000269255217 386766249 /nfs/dbraw/zinc/76/62/49/386766249.db2.gz RUXFWORCQZQILM-UWVGGRQHSA-N 0 3 239.323 0.156 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269240782 386767403 /nfs/dbraw/zinc/76/74/03/386767403.db2.gz JAUYPVDIHPGMHD-ZJUUUORDSA-N 0 3 236.319 0.853 20 0 BCADHN CC[C@@H]1CC[C@H](C)N(CC(=O)NC(=O)NC)C1 ZINC000334634437 386767918 /nfs/dbraw/zinc/76/79/18/386767918.db2.gz ABNAOUYGXXEMFY-VHSXEESVSA-N 0 3 241.335 0.953 20 0 BCADHN CCN(CC)C(=O)C1CCN(CCO)CC1 ZINC000340862840 386789790 /nfs/dbraw/zinc/78/97/90/386789790.db2.gz KFJANBMSLKUSRZ-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN CCN(C)CCNC(=O)c1cn(C)nc1C ZINC000113185638 386790716 /nfs/dbraw/zinc/79/07/16/386790716.db2.gz USDQJPAGPYKYIG-UHFFFAOYSA-N 0 3 224.308 0.410 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NCc1cnnn1C ZINC000344890644 386791829 /nfs/dbraw/zinc/79/18/29/386791829.db2.gz OPLRBIBYEOHITF-SKDRFNHKSA-N 0 3 235.335 0.387 20 0 BCADHN CN(Cc1ccn(C)n1)[C@@H]1CN2CCC1CC2 ZINC000639396891 386792890 /nfs/dbraw/zinc/79/28/90/386792890.db2.gz LJHHCMJQIIYVPK-CYBMUJFWSA-N 0 3 234.347 0.946 20 0 BCADHN CO[C@@H]1C[C@H](N[C@H](C)CS(C)(=O)=O)C1(C)C ZINC000300360308 386792893 /nfs/dbraw/zinc/79/28/93/386792893.db2.gz WUQSIMBXNVIOAY-KXUCPTDWSA-N 0 3 249.376 0.823 20 0 BCADHN Cc1cnc([C@H](C)NC(=O)[C@@H](C)N)s1 ZINC000125314739 386794097 /nfs/dbraw/zinc/79/40/97/386794097.db2.gz DZLUBYOLGHKODS-RQJHMYQMSA-N 0 3 213.306 0.976 20 0 BCADHN C[C@H](CNC(=O)CCc1cncn1C)N(C)C ZINC000280107605 386776976 /nfs/dbraw/zinc/77/69/76/386776976.db2.gz BTHHODJVVDANBY-SNVBAGLBSA-N 0 3 238.335 0.419 20 0 BCADHN Cc1cnn(CCN(C)[C@@]2(CO)CCOC2)c1 ZINC000330535379 386777951 /nfs/dbraw/zinc/77/79/51/386777951.db2.gz ORNBUALBGBUUMT-GFCCVEGCSA-N 0 3 239.319 0.275 20 0 BCADHN C[C@@H](CNC(=O)CCc1cncn1C)N(C)C ZINC000280107601 386778170 /nfs/dbraw/zinc/77/81/70/386778170.db2.gz BTHHODJVVDANBY-JTQLQIEISA-N 0 3 238.335 0.419 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCCN1C)N(C)C1CC1 ZINC000340814209 386779416 /nfs/dbraw/zinc/77/94/16/386779416.db2.gz HJCGZEVSFMLLOW-CMPLNLGQSA-N 0 3 239.363 0.680 20 0 BCADHN Cc1cc(C)n(CCN(C)[C@@H](C)CO)n1 ZINC000282941227 386782089 /nfs/dbraw/zinc/78/20/89/386782089.db2.gz ZWWGMZLYXVXQQQ-NSHDSACASA-N 0 3 211.309 0.813 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N1CCCC[C@@H](C)C1 ZINC000248589926 386782618 /nfs/dbraw/zinc/78/26/18/386782618.db2.gz ZACFOHCPGJKUOK-NXEZZACHSA-N 0 3 241.335 0.953 20 0 BCADHN CC(C(=O)N(C)[C@@H]1CCCOC1)S(C)(=O)=O ZINC000340836474 386785383 /nfs/dbraw/zinc/78/53/83/386785383.db2.gz MJXWOJOVJFNCJD-DTWKUNHWSA-N 0 3 249.332 0.057 20 0 BCADHN CC(C)[C@H]1C[C@H]1C(=O)NCCOCCN(C)C ZINC000357458609 386786253 /nfs/dbraw/zinc/78/62/53/386786253.db2.gz KILDDDROVGYOET-VXGBXAGGSA-N 0 3 242.363 0.973 20 0 BCADHN CC(C(=O)N(C)[C@@H]1CCCOC1)S(C)(=O)=O ZINC000340836477 386786609 /nfs/dbraw/zinc/78/66/09/386786609.db2.gz MJXWOJOVJFNCJD-RKDXNWHRSA-N 0 3 249.332 0.057 20 0 BCADHN CC(C)CC(=O)N[C@@H](CO)CN1CCCCC1 ZINC000330612743 386788029 /nfs/dbraw/zinc/78/80/29/386788029.db2.gz RHTKENDTQKQBKK-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](O)CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000192520819 386788341 /nfs/dbraw/zinc/78/83/41/386788341.db2.gz CGOGWJGIUYIQQZ-UTLUCORTSA-N 0 3 241.335 0.292 20 0 BCADHN CC(C(=O)N[C@H]1[C@@H]2CCC[C@@H]21)S(C)(=O)=O ZINC000428076719 386789166 /nfs/dbraw/zinc/78/91/66/386789166.db2.gz CSJNKBRRLZKZDV-HXFLIBJXSA-N 0 3 231.317 0.334 20 0 BCADHN CC(C)(CS(C)(=O)=O)NCC1=CCCOC1 ZINC000336672941 386820857 /nfs/dbraw/zinc/82/08/57/386820857.db2.gz OGFCEMWOBJWHQO-UHFFFAOYSA-N 0 3 247.360 0.746 20 0 BCADHN CCCC(=O)N[C@H]1CCN(CCOC)C1 ZINC000340981723 386821397 /nfs/dbraw/zinc/82/13/97/386821397.db2.gz RCUGYSUVAAILGW-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000357665445 386822557 /nfs/dbraw/zinc/82/25/57/386822557.db2.gz XDWJGXNKPCPLOC-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(C)CCN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000336672172 386823082 /nfs/dbraw/zinc/82/30/82/386823082.db2.gz ADBJIPSDNYDGHF-VIFPVBQESA-N 0 3 224.308 0.785 20 0 BCADHN C[C@H](O)CN1CCc2ccccc2[C@H]1CO ZINC000248773782 386797387 /nfs/dbraw/zinc/79/73/87/386797387.db2.gz UBVWFBTXGJPSGJ-GXFFZTMASA-N 0 3 221.300 0.959 20 0 BCADHN Cc1cnn(CCN[C@H]2CCCNC2=O)c1 ZINC000303376976 386798655 /nfs/dbraw/zinc/79/86/55/386798655.db2.gz NYOHTVDURKZWGU-JTQLQIEISA-N 0 3 222.292 0.060 20 0 BCADHN CC[C@H]1CC[C@@H](C)N1CCNS(C)(=O)=O ZINC000357531894 386801212 /nfs/dbraw/zinc/80/12/12/386801212.db2.gz RZHBZNSBYRPNFQ-ZJUUUORDSA-N 0 3 234.365 0.799 20 0 BCADHN COC[C@H](O)CCNCc1cnc(C)nc1 ZINC000336761757 386803609 /nfs/dbraw/zinc/80/36/09/386803609.db2.gz KTEGYYDUBFFIIZ-LLVKDONJSA-N 0 3 225.292 0.272 20 0 BCADHN CC[C@@H](CN[C@H]1CCCS(=O)(=O)C1)OC ZINC000336670439 386804278 /nfs/dbraw/zinc/80/42/78/386804278.db2.gz FRXIEHQOWMKINJ-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCc2cccnc21 ZINC000340949189 386805110 /nfs/dbraw/zinc/80/51/10/386805110.db2.gz LUHRDZIYSOHTOE-NSHDSACASA-N 0 3 233.315 0.789 20 0 BCADHN Cc1nn(C)cc1CNC[C@](C)(O)C1CC1 ZINC000336669861 386807376 /nfs/dbraw/zinc/80/73/76/386807376.db2.gz NDTLOHNFPMHDBD-LBPRGKRZSA-N 0 3 223.320 0.979 20 0 BCADHN C[C@@H]1[C@H](NC(=O)N2CCNCC2)CCCN1C ZINC000417993717 386809862 /nfs/dbraw/zinc/80/98/62/386809862.db2.gz BAKRDTIDCZEWMW-GHMZBOCLSA-N 0 3 240.351 0.084 20 0 BCADHN CC[C@@H](C(=O)NCCN(CC)C1CC1)[C@H](C)O ZINC000357582465 386810444 /nfs/dbraw/zinc/81/04/44/386810444.db2.gz LEDJBESKHCWJMY-CMPLNLGQSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1nc(C(=O)N(C)CCN(C)C)c(C)o1 ZINC000293361813 386810809 /nfs/dbraw/zinc/81/08/09/386810809.db2.gz YJSCMLSVTCMFKI-UHFFFAOYSA-N 0 3 225.292 0.925 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000395054093 386813694 /nfs/dbraw/zinc/81/36/94/386813694.db2.gz MZOGWAMSRWTLQP-ZRUFSTJUSA-N 0 3 249.376 0.965 20 0 BCADHN CCn1nncc1CNC[C@@H](C1CC1)N(C)C ZINC000417870514 386814160 /nfs/dbraw/zinc/81/41/60/386814160.db2.gz GXMKIOMHFMBVFD-LBPRGKRZSA-N 0 3 237.351 0.728 20 0 BCADHN C[C@]1(O)CCCN([C@H]2CCNC2=O)CC1 ZINC000329926333 386814490 /nfs/dbraw/zinc/81/44/90/386814490.db2.gz WCRBMRZSUQDKKM-ONGXEEELSA-N 0 3 212.293 0.952 20 0 BCADHN C[C@@]1(O)CCCN([C@@H]2CCNC2=O)CC1 ZINC000329926332 386814711 /nfs/dbraw/zinc/81/47/11/386814711.db2.gz WCRBMRZSUQDKKM-MWLCHTKSSA-N 0 3 212.293 0.952 20 0 BCADHN C[C@@H]1CN(C[C@H](O)Cn2cccn2)[C@H]1C ZINC000293433205 386814916 /nfs/dbraw/zinc/81/49/16/386814916.db2.gz OASGMHYTPRPABY-VWYCJHECSA-N 0 3 209.293 0.584 20 0 BCADHN Cc1n[nH]cc1CN1C[C@@H](O)C(C)(C)C1 ZINC000280445809 386815241 /nfs/dbraw/zinc/81/52/41/386815241.db2.gz KWPJIRDCGIIKTJ-SNVBAGLBSA-N 0 3 209.293 0.921 20 0 BCADHN C[C@H](N)C(=O)N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000648093486 386825083 /nfs/dbraw/zinc/82/50/83/386825083.db2.gz GGLRCRQHKKLZQT-LYFYHCNISA-N 0 3 240.225 0.512 20 0 BCADHN CC[C@H](O)CCCNC(=O)C[C@H]1CNCCO1 ZINC000398474612 386828037 /nfs/dbraw/zinc/82/80/37/386828037.db2.gz SGNHUARACVUNIH-QWRGUYRKSA-N 0 3 244.335 0.032 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CC1(O)CCCC1 ZINC000330683499 386830056 /nfs/dbraw/zinc/83/00/56/386830056.db2.gz RLEJBQDKRKPRAX-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CN(C)CC[C@](C)(O)CNC(=O)CC1CCC1 ZINC000357708777 386831301 /nfs/dbraw/zinc/83/13/01/386831301.db2.gz MNJOHIVTVCXFFB-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CCN(CC)CC(=O)N(C)CCCC(=O)OC ZINC000357724176 386833277 /nfs/dbraw/zinc/83/32/77/386833277.db2.gz YQQXLACICXEIHW-UHFFFAOYSA-N 0 3 244.335 0.740 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](CO)COC)N(CC)CC ZINC000357717503 386833446 /nfs/dbraw/zinc/83/34/46/386833446.db2.gz RIZWFURUZPCIJL-QWRGUYRKSA-N 0 3 246.351 0.230 20 0 BCADHN CCN(CC)CC(=O)N1CCC(OC)CC1 ZINC000357720553 386834649 /nfs/dbraw/zinc/83/46/49/386834649.db2.gz GTEGZIOJFBCQNO-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CCNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645171154 386838228 /nfs/dbraw/zinc/83/82/28/386838228.db2.gz ZPWIHXBCQGVYDF-UHFFFAOYSA-N 0 3 241.335 0.513 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)CCCC(N)=O)C1 ZINC000518874739 386841583 /nfs/dbraw/zinc/84/15/83/386841583.db2.gz VIPZNUCDLJMWJP-SNVBAGLBSA-N 0 3 241.335 0.100 20 0 BCADHN CCOCCCN1C[C@@H](O)[C@H](OC)C1 ZINC000395481758 386841819 /nfs/dbraw/zinc/84/18/19/386841819.db2.gz LLLJZMDYIVRXID-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN CC[C@H](COC)N[C@@H](C)C(=O)N(C)CC ZINC000188499116 386843019 /nfs/dbraw/zinc/84/30/19/386843019.db2.gz LNPARBKPAZUZRV-VHSXEESVSA-N 0 3 216.325 0.868 20 0 BCADHN Cc1ccc(CN2C[C@@H](O)C[C@@]2(C)CO)cn1 ZINC000639848743 386847436 /nfs/dbraw/zinc/84/74/36/386847436.db2.gz OMYHSCALJSGQQD-STQMWFEESA-N 0 3 236.315 0.708 20 0 BCADHN O=C(CCc1cncnc1)NCCN1CCCC1 ZINC000341150718 386847899 /nfs/dbraw/zinc/84/78/99/386847899.db2.gz NLUFSTBSZVFEPS-UHFFFAOYSA-N 0 3 248.330 0.621 20 0 BCADHN CCCCNC(=O)CCN1CCC[C@H]1C(N)=O ZINC000341158429 386848437 /nfs/dbraw/zinc/84/84/37/386848437.db2.gz DFQNQSMBKDTFRE-JTQLQIEISA-N 0 3 241.335 0.243 20 0 BCADHN C[C@@H]1[C@@H](C)CCN1CCN1CCCS1(=O)=O ZINC000334789406 386850725 /nfs/dbraw/zinc/85/07/25/386850725.db2.gz ANSILCVFAXCNFS-WDEREUQCSA-N 0 3 246.376 0.752 20 0 BCADHN C[C@@H](CCO)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331751019 386891388 /nfs/dbraw/zinc/89/13/88/386891388.db2.gz GMJILGFZKHZPQB-VHSXEESVSA-N 0 3 241.335 0.293 20 0 BCADHN CC(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)N(C)C ZINC000357864713 386857000 /nfs/dbraw/zinc/85/70/00/386857000.db2.gz PFMPXCBYARIARC-KOLCDFICSA-N 0 3 241.335 0.064 20 0 BCADHN CC(=O)C1(C(=O)NC[C@H](C)CN(C)C)CC1 ZINC000341227465 386857309 /nfs/dbraw/zinc/85/73/09/386857309.db2.gz HPBXEUDJZXFSKH-VIFPVBQESA-N 0 3 226.320 0.670 20 0 BCADHN CN(CCNC(=O)N1CCC[C@@H]1CO)C1CC1 ZINC000331480773 386860470 /nfs/dbraw/zinc/86/04/70/386860470.db2.gz NXHNQLWDTWYUIH-LLVKDONJSA-N 0 3 241.335 0.247 20 0 BCADHN C[C@H](O)CCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341205011 386863998 /nfs/dbraw/zinc/86/39/98/386863998.db2.gz QEEFMZXSIZGTGW-GARJFASQSA-N 0 3 243.351 0.539 20 0 BCADHN CCN1CC[C@H](NC(=O)c2cccnc2)C1 ZINC000334828273 386864699 /nfs/dbraw/zinc/86/46/99/386864699.db2.gz WGKZQWQNXUICRI-NSHDSACASA-N 0 3 219.288 0.906 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2cccnc2)C1 ZINC000334828271 386864832 /nfs/dbraw/zinc/86/48/32/386864832.db2.gz WGKZQWQNXUICRI-LLVKDONJSA-N 0 3 219.288 0.906 20 0 BCADHN CC[C@@H](C(=O)N1CCOCC1(C)C)N(C)C ZINC000334830319 386867296 /nfs/dbraw/zinc/86/72/96/386867296.db2.gz WWPXNLUXDUGUNR-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN C[C@H](C[C@H](C)O)NC(=O)NC[C@H]1CCCN1C ZINC000341250037 386867987 /nfs/dbraw/zinc/86/79/87/386867987.db2.gz MQLHVJKGIKEQFX-OUAUKWLOSA-N 0 3 243.351 0.539 20 0 BCADHN CS[C@H]1CC[C@H]1NCCNS(C)(=O)=O ZINC000425350888 386869598 /nfs/dbraw/zinc/86/95/98/386869598.db2.gz GMMIXJWWZBLFRJ-SFYZADRCSA-N 0 3 238.378 0.019 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CCCO1)C1=CCN(C)CC1 ZINC000334832424 386870265 /nfs/dbraw/zinc/87/02/65/386870265.db2.gz CHUAHSJVJDLPLR-JQWIXIFHSA-N 0 3 238.331 0.932 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CNC(=O)C1)N(CC)CC ZINC000330725062 386871082 /nfs/dbraw/zinc/87/10/82/386871082.db2.gz DRLOKUCNTACTCR-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN Cc1c[nH]nc1CN[C@@H]1CNCCC1(F)F ZINC000334833656 386872423 /nfs/dbraw/zinc/87/24/23/386872423.db2.gz ROSXXIHFZMJGRZ-SECBINFHSA-N 0 3 230.262 0.805 20 0 BCADHN Cc1c[nH]nc1CN[C@H]1CNCCC1(F)F ZINC000334833658 386873076 /nfs/dbraw/zinc/87/30/76/386873076.db2.gz ROSXXIHFZMJGRZ-VIFPVBQESA-N 0 3 230.262 0.805 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)CC(C)(C)O ZINC000349549629 386875385 /nfs/dbraw/zinc/87/53/85/386875385.db2.gz XMRAYTHGSOBDBG-UHFFFAOYSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@H](CNC(=O)NC[C@@H]1CCCN1C)OC ZINC000358006272 386879138 /nfs/dbraw/zinc/87/91/38/386879138.db2.gz SBMFYAJKMSNLCX-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@@H](CNC(=O)NC[C@H]1CCCN1C)OC ZINC000358006267 386879652 /nfs/dbraw/zinc/87/96/52/386879652.db2.gz SBMFYAJKMSNLCX-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H](N[C@H]1CCC[C@@]1(C)CO)C(=O)NC1CC1 ZINC000331684024 386880590 /nfs/dbraw/zinc/88/05/90/386880590.db2.gz UETAZNLMTMTCKU-GAFUQQFSSA-N 0 3 240.347 0.794 20 0 BCADHN CC[C@@H](Cn1cncn1)NC[C@H](O)C(F)F ZINC000336739430 386881451 /nfs/dbraw/zinc/88/14/51/386881451.db2.gz PCFDUFBKXBZBAQ-YUMQZZPRSA-N 0 3 234.250 0.272 20 0 BCADHN CCC[C@H](C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358039555 386884399 /nfs/dbraw/zinc/88/43/99/386884399.db2.gz CNGSGNSBBNNKDV-CMPLNLGQSA-N 0 3 228.336 0.605 20 0 BCADHN CCCC1(C(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000358058795 386886379 /nfs/dbraw/zinc/88/63/79/386886379.db2.gz QWGWVTFMTQBCAZ-ZDUSSCGKSA-N 0 3 240.347 0.750 20 0 BCADHN COCCO[C@H]1CCN(C[C@@H](C)OC)C1 ZINC000487904393 533199315 /nfs/dbraw/zinc/19/93/15/533199315.db2.gz DTSGVFZMOXXZHA-MNOVXSKESA-N 0 3 217.309 0.759 20 0 BCADHN CN(CCNC(=O)NCC(C)(C)O)C1CC1 ZINC000331743795 386887835 /nfs/dbraw/zinc/88/78/35/386887835.db2.gz HAOMSOUDUUWDEX-UHFFFAOYSA-N 0 3 229.324 0.151 20 0 BCADHN C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1ccnn1C ZINC000331743072 386888296 /nfs/dbraw/zinc/88/82/96/386888296.db2.gz BLCMBKYBKYGDGI-KKZNHRDASA-N 0 3 209.293 0.984 20 0 BCADHN CCN(CC)C[C@H](C)NS(=O)(=O)NC1CC1 ZINC000331740106 386889129 /nfs/dbraw/zinc/88/91/29/386889129.db2.gz FKJFBCOKYKKISH-VIFPVBQESA-N 0 3 249.380 0.303 20 0 BCADHN CC[C@H](O)CC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000331740816 386889226 /nfs/dbraw/zinc/88/92/26/386889226.db2.gz AKMSKBHMWHPFFF-UMNHJUIQSA-N 0 3 240.347 0.889 20 0 BCADHN COC[C@@H]1CCN([C@@H](C)C(=O)N(C)C)C1 ZINC000352887529 386890040 /nfs/dbraw/zinc/89/00/40/386890040.db2.gz YEXNTNWQCPBNTE-VHSXEESVSA-N 0 3 214.309 0.431 20 0 BCADHN CC(C)[C@](C)(O)C(=O)NCCN(C)C1CC1 ZINC000331828796 386914915 /nfs/dbraw/zinc/91/49/15/386914915.db2.gz ZVNZSLKWHGTLAM-LBPRGKRZSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCN(C)C1)c1ccccn1 ZINC000358227252 386915632 /nfs/dbraw/zinc/91/56/32/386915632.db2.gz DHXOEJSBVMDHCC-YPMHNXCESA-N 0 3 235.331 0.799 20 0 BCADHN CC(C)[C@H](O)CN1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000367924582 386918412 /nfs/dbraw/zinc/91/84/12/386918412.db2.gz KCFUANSMXNKPOQ-UPJWGTAASA-N 0 3 243.347 0.883 20 0 BCADHN C[C@@H]1CN(Cc2ccncc2)[C@@H](C)CN1CCO ZINC000418110204 386919190 /nfs/dbraw/zinc/91/91/90/386919190.db2.gz JDYNGTMEUGPEPC-OLZOCXBDSA-N 0 3 249.358 0.969 20 0 BCADHN C[C@@H]1[C@@H](Nc2nccc(CO)n2)CCCN1C ZINC000341568790 386919454 /nfs/dbraw/zinc/91/94/54/386919454.db2.gz RRBRGMJMTBWNHF-KOLCDFICSA-N 0 3 236.319 0.864 20 0 BCADHN Cc1n[nH]cc1CN[C@H]1CNCCC1(F)F ZINC000334849739 386897849 /nfs/dbraw/zinc/89/78/49/386897849.db2.gz ZNWMQOOSAXSENY-VIFPVBQESA-N 0 3 230.262 0.805 20 0 BCADHN Cn1cnc(=O)n1CCCN1CCCCC1 ZINC000341387589 386899867 /nfs/dbraw/zinc/89/98/67/386899867.db2.gz IYJYELAPBDIZAX-UHFFFAOYSA-N 0 3 224.308 0.458 20 0 BCADHN CC[C@@H](CO)N(C)Cc1cnn(C)c1C ZINC000293902982 386900523 /nfs/dbraw/zinc/90/05/23/386900523.db2.gz NTNYXGQLRWFMAS-NSHDSACASA-N 0 3 211.309 0.931 20 0 BCADHN CC[C@H](CO)N(C)Cc1cnn(C)c1C ZINC000293902981 386901115 /nfs/dbraw/zinc/90/11/15/386901115.db2.gz NTNYXGQLRWFMAS-LLVKDONJSA-N 0 3 211.309 0.931 20 0 BCADHN NC1(C(=O)Nc2cnn(CC3CC3)c2)CC1 ZINC000648095248 386902044 /nfs/dbraw/zinc/90/20/44/386902044.db2.gz WSGKBOYYUHJJPM-UHFFFAOYSA-N 0 3 220.276 0.723 20 0 BCADHN CN(C(=O)CC(N)=O)[C@@H]1CCCN(C)C1 ZINC000335762431 386902877 /nfs/dbraw/zinc/90/28/77/386902877.db2.gz OOLOTWPANZLYGI-MRVPVSSYSA-N 0 3 213.281 0.464 20 0 BCADHN CN(CC1CC1)C(=O)CNC(C)(C)C(C)(C)O ZINC000331786636 386903350 /nfs/dbraw/zinc/90/33/50/386903350.db2.gz OGVKPQNGKOJXJG-UHFFFAOYSA-N 0 3 242.363 0.994 20 0 BCADHN CN(C)C(=O)[C@H]1CCN(Cc2cccn2C)C1 ZINC000334854319 386904359 /nfs/dbraw/zinc/90/43/59/386904359.db2.gz SFWXYFTYXQEWHZ-NSHDSACASA-N 0 3 235.331 0.935 20 0 BCADHN COCCCNC(=O)CN(C)C1CCOCC1 ZINC000349653735 386904555 /nfs/dbraw/zinc/90/45/55/386904555.db2.gz KYXIBKFDIMUSEW-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN C[C@H](O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000331790883 386904644 /nfs/dbraw/zinc/90/46/44/386904644.db2.gz SINNYWZWSJZZAD-XHNCKOQMSA-N 0 3 212.293 0.109 20 0 BCADHN CN(C)CCNC(=O)C[C@@](C)(O)C1CC1 ZINC000331790278 386905518 /nfs/dbraw/zinc/90/55/18/386905518.db2.gz UXUNZUNGRVBTIO-LLVKDONJSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H](CO)CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331789904 386905746 /nfs/dbraw/zinc/90/57/46/386905746.db2.gz SDYBQIHSRHMYSX-NXEZZACHSA-N 0 3 241.335 0.151 20 0 BCADHN CC[C@@H](C)NC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000341454350 386908810 /nfs/dbraw/zinc/90/88/10/386908810.db2.gz MRRZGSKLLIWXIL-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H](CC(N)=O)N[C@H](CO)c1cccc(F)c1 ZINC000358180062 386908886 /nfs/dbraw/zinc/90/88/86/386908886.db2.gz SFYSNIYCCMOWHU-LDYMZIIASA-N 0 3 240.278 0.713 20 0 BCADHN C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1cnn(C)c1 ZINC000331818424 386912058 /nfs/dbraw/zinc/91/20/58/386912058.db2.gz VVVLGMGLCCFEJS-IEBDPFPHSA-N 0 3 209.293 0.984 20 0 BCADHN CO[C@H](C)CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331820982 386912182 /nfs/dbraw/zinc/91/21/82/386912182.db2.gz ZDVYCWQKGCCFTQ-NXEZZACHSA-N 0 3 241.335 0.557 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](O)C1CC1)N(C)C ZINC000331816278 386912481 /nfs/dbraw/zinc/91/24/81/386912481.db2.gz WUUPGYJXJFSNHL-UWVGGRQHSA-N 0 3 214.309 0.214 20 0 BCADHN CN1CCC(C(=O)NC2(CCO)CC2)CC1 ZINC000331888425 386921597 /nfs/dbraw/zinc/92/15/97/386921597.db2.gz ACUPMZGZNRUXDY-UHFFFAOYSA-N 0 3 226.320 0.359 20 0 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386966533 /nfs/dbraw/zinc/96/65/33/386966533.db2.gz YHTMLLPCWNZSGW-WDCWCFNPSA-N 0 3 226.320 0.391 20 0 BCADHN CS[C@H]1CC[C@H]1NCC(=O)N(C)C ZINC000425356039 386967077 /nfs/dbraw/zinc/96/70/77/386967077.db2.gz PCAUOZOTGWFEMG-SFYZADRCSA-N 0 3 202.323 0.558 20 0 BCADHN CCCCOCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368383899 386967360 /nfs/dbraw/zinc/96/73/60/386967360.db2.gz GWXMWUKVJCFZFM-UWVGGRQHSA-N 0 3 232.299 0.619 20 0 BCADHN C[C@@H]1[C@@H](CO)CCCN1CC(=O)NC1CC1 ZINC000332219097 386967981 /nfs/dbraw/zinc/96/79/81/386967981.db2.gz XOVFHIJAGKJUAD-NXEZZACHSA-N 0 3 226.320 0.358 20 0 BCADHN CN(C)C1(CNC(=O)C2(O)CCCCC2)CC1 ZINC000332216925 386968021 /nfs/dbraw/zinc/96/80/21/386968021.db2.gz XAXYCUIAWGFTBU-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN CC(C)[C@](C)(O)CNC(=O)N[C@@H](C)CN(C)C ZINC000358509656 386968144 /nfs/dbraw/zinc/96/81/44/386968144.db2.gz WHRVRHZMKAWRDW-CMPLNLGQSA-N 0 3 245.367 0.643 20 0 BCADHN C[C@@H](CCO)CNC(=O)N[C@@H](C)CN(C)C ZINC000358502419 386969031 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ZINC000336314363 387142160 /nfs/dbraw/zinc/14/21/60/387142160.db2.gz HKFVJHIXBVTBJM-UHFFFAOYSA-N 0 3 236.319 0.771 20 0 BCADHN C[C@@H](O)CN(CCO)C[C@@H](O)c1ccccc1 ZINC000290007056 387142400 /nfs/dbraw/zinc/14/24/00/387142400.db2.gz ZKUSIUVHXADLGU-DGCLKSJQSA-N 0 3 239.315 0.395 20 0 BCADHN CC(C)[C@@](C)(CO)NC(=O)N[C@H](C)CN(C)C ZINC000359653870 387142809 /nfs/dbraw/zinc/14/28/09/387142809.db2.gz RAYTUBPDDNBWFS-ZYHUDNBSSA-N 0 3 245.367 0.643 20 0 BCADHN CC(C)CC[C@H](O)CN1CCC[C@](O)(CO)C1 ZINC000459628632 387143324 /nfs/dbraw/zinc/14/33/24/387143324.db2.gz FWWQFEOHMHPHEB-QWHCGFSZSA-N 0 3 245.363 0.603 20 0 BCADHN CC(C)(C)NC(=O)C[C@H]1CSCCN1 ZINC000085612364 387147096 /nfs/dbraw/zinc/14/70/96/387147096.db2.gz ATQGZOHOIXDELK-QMMMGPOBSA-N 0 3 216.350 0.996 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccnn1CC(C)C ZINC000353158832 387147710 /nfs/dbraw/zinc/14/77/10/387147710.db2.gz ZSIHTHUXZDHXFM-SECBINFHSA-N 0 3 240.307 0.451 20 0 BCADHN CC[C@H](CNC(=O)CN(C)C(C)C)OC ZINC000359695537 387148180 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MQMCMBUEJAVPOR-VHSXEESVSA-N 0 3 246.376 0.623 20 0 BCADHN O=C(C[C@H]1CNCCO1)NC1CCCCC1 ZINC000085618626 387162717 /nfs/dbraw/zinc/16/27/17/387162717.db2.gz WHNHODDMYLMEFU-NSHDSACASA-N 0 3 226.320 0.814 20 0 BCADHN Cc1cnccc1CN(C[C@@H](C)O)[C@H](C)CO ZINC000648539033 387163443 /nfs/dbraw/zinc/16/34/43/387163443.db2.gz PCCHRSWWFLIVQU-VXGBXAGGSA-N 0 3 238.331 0.954 20 0 BCADHN CC(C)CCCNC(=O)C[C@H]1CNCCO1 ZINC000085619617 387163903 /nfs/dbraw/zinc/16/39/03/387163903.db2.gz CQOPAFCJAOOORF-NSHDSACASA-N 0 3 228.336 0.917 20 0 BCADHN CC(C)C[C@H](C)NC(=O)C[C@H]1CNCCO1 ZINC000085619202 387164336 /nfs/dbraw/zinc/16/43/36/387164336.db2.gz PULXILNQSCJOFI-QWRGUYRKSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@H](F)CCN1CCC[C@@H]2C(=O)NC[C@@H]21 ZINC000352405931 387165428 /nfs/dbraw/zinc/16/54/28/387165428.db2.gz KIJVRUNNYYRLDH-GUBZILKMSA-N 0 3 214.284 0.945 20 0 BCADHN CCN(CC[C@H](C)F)[C@H]1CCNC1=O ZINC000352405140 387166127 /nfs/dbraw/zinc/16/61/27/387166127.db2.gz GRJFYOAQTYGFJO-IUCAKERBSA-N 0 3 202.273 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CN(Cc1cnnn1C)[C@H]1CCN(C2CC2)C1 ZINC000353323265 387180052 /nfs/dbraw/zinc/18/00/52/387180052.db2.gz YWCPTRQPYIRBDJ-NSHDSACASA-N 0 3 235.335 0.484 20 0 BCADHN C[C@H](C(N)=O)N(C)CC1(O)CCCCCC1 ZINC000187320962 387181640 /nfs/dbraw/zinc/18/16/40/387181640.db2.gz VVINNTDPVYXSBP-SNVBAGLBSA-N 0 3 228.336 0.877 20 0 BCADHN Cc1cc(CNC(=O)[C@H]2C[C@H](C)CCN2)[nH]n1 ZINC000643495832 387182860 /nfs/dbraw/zinc/18/28/60/387182860.db2.gz QCHFZCRSSHCOEP-LDYMZIIASA-N 0 3 236.319 0.722 20 0 BCADHN Cc1c[nH]nc1CNC[C@H]1CC[C@@H](CO)O1 ZINC000292831154 387182762 /nfs/dbraw/zinc/18/27/62/387182762.db2.gz XUKCPEZCEVZLIP-ZJUUUORDSA-N 0 3 225.292 0.348 20 0 BCADHN CC[C@@H](C(=O)NC1(C(N)=O)CC1)N(CC)CC ZINC000359890001 387183819 /nfs/dbraw/zinc/18/38/19/387183819.db2.gz NQKRDYRBPMQSRH-VIFPVBQESA-N 0 3 241.335 0.241 20 0 BCADHN COC(=O)[C@@](C)(O)CN(C)C[C@H]1CCCO1 ZINC000251137584 387184719 /nfs/dbraw/zinc/18/47/19/387184719.db2.gz VSIYLMXXJWQZNK-KOLCDFICSA-N 0 3 231.292 0.021 20 0 BCADHN C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1F)N(C)C ZINC000424585273 387194012 /nfs/dbraw/zinc/19/40/12/387194012.db2.gz QXNCKEWCSCIPHN-WEDXCCLWSA-N 0 3 202.273 0.801 20 0 BCADHN C[C@H]1CN(C)C[C@@H]1NCC(F)(F)CN ZINC000423338718 387188006 /nfs/dbraw/zinc/18/80/06/387188006.db2.gz ILEPLAWHHBSIFI-YUMQZZPRSA-N 0 3 207.268 0.120 20 0 BCADHN NC(C(=O)NCc1cscn1)C(F)(F)F ZINC000353429278 387194031 /nfs/dbraw/zinc/19/40/31/387194031.db2.gz OXMSHPOAQFUSLX-YFKPBYRVSA-N 0 3 239.222 0.649 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCc1cscn1 ZINC000352425725 387191509 /nfs/dbraw/zinc/19/15/09/387191509.db2.gz MWZOPMJTPQZQBO-QMMMGPOBSA-N 0 3 242.348 0.892 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)[C@H]1CCCO1 ZINC000186749445 387132893 /nfs/dbraw/zinc/13/28/93/387132893.db2.gz LRLSMQNUGUNQTK-LLVKDONJSA-N 0 3 226.320 0.718 20 0 BCADHN CN(CC1(C)COC1)[C@]1(CO)CCOC1 ZINC000359607783 387133764 /nfs/dbraw/zinc/13/37/64/387133764.db2.gz YHKPAGVNNCDTMU-NSHDSACASA-N 0 3 215.293 0.106 20 0 BCADHN CN(CCN(C)[C@@H]1CCN(C)C1=O)C1CC1 ZINC000186779477 387134092 /nfs/dbraw/zinc/13/40/92/387134092.db2.gz XMXDUJCRUMDPEX-LLVKDONJSA-N 0 3 225.336 0.243 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000370701592 387135938 /nfs/dbraw/zinc/13/59/38/387135938.db2.gz LKZLSWGOZODOLU-MMWGEVLESA-N 0 3 226.320 0.798 20 0 BCADHN CC[C@H](N)C(=O)N1CCCO[C@@H]2CCC[C@H]21 ZINC000370697956 387136818 /nfs/dbraw/zinc/13/68/18/387136818.db2.gz BSDPFMTYFLTTPZ-HBNTYKKESA-N 0 3 226.320 0.894 20 0 BCADHN CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)N)C12CCC2 ZINC000162016597 387137518 /nfs/dbraw/zinc/13/75/18/387137518.db2.gz NGLMBEOTYBMWPF-KXUCPTDWSA-N 0 3 226.320 0.798 20 0 BCADHN CCO[C@H]1C[C@@H](NC(=O)[C@H](C)N)C12CCC2 ZINC000162015679 387138365 /nfs/dbraw/zinc/13/83/65/387138365.db2.gz NGLMBEOTYBMWPF-AEJSXWLSSA-N 0 3 226.320 0.798 20 0 BCADHN CCCOCC(=O)N1CCC[C@H]1CN(C)C ZINC000229043998 387138567 /nfs/dbraw/zinc/13/85/67/387138567.db2.gz JOKZMWUCZZHDPS-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CS[C@@H]1CN(C(=O)CO)C[C@@H]1N1CCCC1 ZINC000336309880 387138670 /nfs/dbraw/zinc/13/86/70/387138670.db2.gz WBCCOQYRCXZVFE-VHSXEESVSA-N 0 3 244.360 0.017 20 0 BCADHN CC[C@H](C(N)=O)N(C)CCN(C)C1CC1 ZINC000186775698 387140679 /nfs/dbraw/zinc/14/06/79/387140679.db2.gz ZVNUXDBUTKFAOT-SNVBAGLBSA-N 0 3 213.325 0.276 20 0 BCADHN COC(C)(C)C(=O)N(C)CCN(C)C1CC1 ZINC000186770722 387141252 /nfs/dbraw/zinc/14/12/52/387141252.db2.gz LGBPEZOTHYHNRI-UHFFFAOYSA-N 0 3 228.336 0.964 20 0 BCADHN Cn1nncc1CN1CCN2CCC[C@@H]2C1 ZINC000371409585 387203057 /nfs/dbraw/zinc/20/30/57/387203057.db2.gz NDKDDCOTYXQDCR-SNVBAGLBSA-N 0 3 221.308 0.095 20 0 BCADHN O=C1CNC(=O)N1CCN1CC2CCC1CC2 ZINC000371391457 387203678 /nfs/dbraw/zinc/20/36/78/387203678.db2.gz DUKLRZNMRHSCNJ-UHFFFAOYSA-N 0 3 237.303 0.413 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@H]1COCCO1 ZINC000571911060 387204513 /nfs/dbraw/zinc/20/45/13/387204513.db2.gz WIVZEYWLBKZSEG-NEPJUHHUSA-N 0 3 228.336 0.428 20 0 BCADHN CN(CCNC(=O)[C@]1(C)C[C@@H]1F)C1CC1 ZINC000424598315 387204838 /nfs/dbraw/zinc/20/48/38/387204838.db2.gz LJZPLSSFYSWDEV-GXSJLCMTSA-N 0 3 214.284 0.945 20 0 BCADHN COCC[C@H](CO)N[C@@H](C)c1cn[nH]c1 ZINC000285251583 387252662 /nfs/dbraw/zinc/25/26/62/387252662.db2.gz QAQIZFGNKFHWQQ-WCBMZHEXSA-N 0 3 213.281 0.458 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371447935 387213732 /nfs/dbraw/zinc/21/37/32/387213732.db2.gz PCWSMOGTXQGONE-HMDXOVGESA-N 0 3 248.330 0.501 20 0 BCADHN CN(C)CCSCCN1CCCC1=O ZINC000120234892 387214074 /nfs/dbraw/zinc/21/40/74/387214074.db2.gz AQHCJPCWRSRXCP-UHFFFAOYSA-N 0 3 216.350 0.904 20 0 BCADHN COCCNCCNC(=O)N[C@@H]1CC[C@H](F)C1 ZINC000418194427 387214714 /nfs/dbraw/zinc/21/47/14/387214714.db2.gz FAXKEXBOGUGUQT-VHSXEESVSA-N 0 3 247.314 0.412 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCSC1)N(C)C ZINC000353490188 387216264 /nfs/dbraw/zinc/21/62/64/387216264.db2.gz HSAKLVQXKZKFBY-IUCAKERBSA-N 0 3 216.350 0.806 20 0 BCADHN C[C@H](NC[C@@](C)(O)C1CC1)c1ccc(=O)[nH]n1 ZINC000353515772 387219505 /nfs/dbraw/zinc/21/95/05/387219505.db2.gz FGWLYFJGPUZWJQ-QPUJVOFHSA-N 0 3 237.303 0.994 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418210677 387222252 /nfs/dbraw/zinc/22/22/52/387222252.db2.gz SSAYOTJFDODDCP-VWYCJHECSA-N 0 3 242.367 0.328 20 0 BCADHN CCOC[C@@H](O)CN1CCOCC2(CCC2)C1 ZINC000353665716 387253082 /nfs/dbraw/zinc/25/30/82/387253082.db2.gz PIOBHIHJYGMLSA-LBPRGKRZSA-N 0 3 243.347 0.886 20 0 BCADHN CC[C@@H](C)C[C@@H](NC(=O)[C@@H](C)N)C(=O)OC ZINC000572040546 387225998 /nfs/dbraw/zinc/22/59/98/387225998.db2.gz FKNVTOHKFRLLDJ-IWSPIJDZSA-N 0 3 230.308 0.428 20 0 BCADHN C[C@H]1CN(CCN2CCCCC2)C[C@@H](CO)O1 ZINC000230016116 387226752 /nfs/dbraw/zinc/22/67/52/387226752.db2.gz AFTJCUDZYZVDJO-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000072938834 387227495 /nfs/dbraw/zinc/22/74/95/387227495.db2.gz KQQYXEILMJTNRZ-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)C[C@H]1CCCN1CC(=O)NC(N)=O ZINC000130344059 387228807 /nfs/dbraw/zinc/22/88/07/387228807.db2.gz RKHIKNHAEMSOEF-SECBINFHSA-N 0 3 227.308 0.692 20 0 BCADHN COCCNCCNC(=O)NCC[C@@H](C)F ZINC000418228853 387228931 /nfs/dbraw/zinc/22/89/31/387228931.db2.gz SVBYNJLTAISEPT-SECBINFHSA-N 0 3 235.303 0.270 20 0 BCADHN Cc1cn[nH]c1CN1CC[C@@H](O)[C@@H](C)C1 ZINC000336400754 387229434 /nfs/dbraw/zinc/22/94/34/387229434.db2.gz CQJWZKNNKVWKCK-GXSJLCMTSA-N 0 3 209.293 0.921 20 0 BCADHN C[C@@H]1CN(CCc2ccncc2)CCN1CCO ZINC000187709231 387231893 /nfs/dbraw/zinc/23/18/93/387231893.db2.gz FHHHGKONEZIDEQ-CYBMUJFWSA-N 0 3 249.358 0.623 20 0 BCADHN C[C@H](N)C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000353576586 387233739 /nfs/dbraw/zinc/23/37/39/387233739.db2.gz IATRZYLTNVMNRC-DTWKUNHWSA-N 0 3 222.292 0.811 20 0 BCADHN C[C@@H]1CC[C@](CO)(N(C)CC(=O)N(C)C)C1 ZINC000188016093 387244208 /nfs/dbraw/zinc/24/42/08/387244208.db2.gz IHJSWCNJZQALMH-PWSUYJOCSA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)OCC[C@@H](O)CN[C@H](C)C(=O)N(C)C ZINC000572149923 387244296 /nfs/dbraw/zinc/24/42/96/387244296.db2.gz ZJYCEUPOQATWNN-GHMZBOCLSA-N 0 3 246.351 0.229 20 0 BCADHN COCC[C@H](C)NC(=O)N[C@H](C)CN(C)C ZINC000352476850 387244750 /nfs/dbraw/zinc/24/47/50/387244750.db2.gz JUHBZOVKPSCZJG-VHSXEESVSA-N 0 3 231.340 0.661 20 0 BCADHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1cn[nH]c1 ZINC000285165913 387245445 /nfs/dbraw/zinc/24/54/45/387245445.db2.gz MTCDSBQRCXYMLT-XKSSXDPKSA-N 0 3 222.292 0.727 20 0 BCADHN Cc1cc(C)n(CCN(C)[C@H](C)CO)n1 ZINC000285027358 387248697 /nfs/dbraw/zinc/24/86/97/387248697.db2.gz ZWWGMZLYXVXQQQ-LLVKDONJSA-N 0 3 211.309 0.813 20 0 BCADHN COC(=O)[C@H]1CC[C@@H]1C(=O)N(C)CCN(C)C ZINC000353658937 387250051 /nfs/dbraw/zinc/25/00/51/387250051.db2.gz XWMGSHVHZAUMLU-UWVGGRQHSA-N 0 3 242.319 0.206 20 0 BCADHN CC(C)N(C)CC(=O)N1CCN2CCC1CC2 ZINC000336362590 387194385 /nfs/dbraw/zinc/19/43/85/387194385.db2.gz FNGZNKLTQXJOPU-UHFFFAOYSA-N 0 3 239.363 0.633 20 0 BCADHN COC[C@H](NC(=O)C(N)C(F)(F)F)C1CC1 ZINC000353423269 387198874 /nfs/dbraw/zinc/19/88/74/387198874.db2.gz CVRXXKCQNSLZJP-BQBZGAKWSA-N 0 3 240.225 0.417 20 0 BCADHN Cc1ocnc1CNC(=O)C(N)C(F)(F)F ZINC000353431609 387199765 /nfs/dbraw/zinc/19/97/65/387199765.db2.gz RCKFZTMDSWUZJC-ZCFIWIBFSA-N 0 3 237.181 0.489 20 0 BCADHN COC(=O)CCCC(=O)NCCN(C)C1CC1 ZINC000359954106 387200229 /nfs/dbraw/zinc/20/02/29/387200229.db2.gz IZLPEGPDXWALMZ-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN C[C@H]1C[C@H](NCC(F)(F)CN)CN1C1CC1 ZINC000423350584 387202045 /nfs/dbraw/zinc/20/20/45/387202045.db2.gz ZTYGATIIRQFUHB-IUCAKERBSA-N 0 3 233.306 0.795 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CCCN(C)C2)ncn1 ZINC000162065227 387311390 /nfs/dbraw/zinc/31/13/90/387311390.db2.gz NJXXCQMKMCLJST-NSHDSACASA-N 0 3 248.330 0.857 20 0 BCADHN C[C@H](C[NH3+])CNC(=O)c1ccc2n[n-]nc2c1 ZINC000423465852 387312185 /nfs/dbraw/zinc/31/21/85/387312185.db2.gz WUZJQWLPDPNMER-SSDOTTSWSA-N 0 3 233.275 0.283 20 0 BCADHN COC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000514949382 387312655 /nfs/dbraw/zinc/31/26/55/387312655.db2.gz KLHGHWVIKIKJSY-VIFPVBQESA-N 0 3 212.293 0.185 20 0 BCADHN O=C1NC[C@@]2(CCCN(CC3CC3)C2)O1 ZINC000372616348 387313405 /nfs/dbraw/zinc/31/34/05/387313405.db2.gz DIBIKPYCXSGFAP-LLVKDONJSA-N 0 3 210.277 0.971 20 0 BCADHN c1cnn(CCN2CCN(c3ncc[nH]3)CC2)c1 ZINC000514986715 387319132 /nfs/dbraw/zinc/31/91/32/387319132.db2.gz ZOMKDPJRYOSYHM-UHFFFAOYSA-N 0 3 246.318 0.428 20 0 BCADHN C[C@@H](C[S@@](C)=O)NC(=O)CCCCN(C)C ZINC000514970239 387316419 /nfs/dbraw/zinc/31/64/19/387316419.db2.gz TYARRGMAWAAIGH-MGPLVRAMSA-N 0 3 248.392 0.602 20 0 BCADHN C[C@H](C[S@@](C)=O)NC(=O)CCCCN(C)C ZINC000514970241 387316669 /nfs/dbraw/zinc/31/66/69/387316669.db2.gz TYARRGMAWAAIGH-QLJPJBMISA-N 0 3 248.392 0.602 20 0 BCADHN Cc1cnn(C)c1CNC[C@H]1CCCN1C ZINC000285255279 387255359 /nfs/dbraw/zinc/25/53/59/387255359.db2.gz AVEGWESNOBFPSX-LLVKDONJSA-N 0 3 222.336 0.912 20 0 BCADHN CCN(CCNC(=O)C1(C)COC1)C1CC1 ZINC000360298803 387259295 /nfs/dbraw/zinc/25/92/95/387259295.db2.gz NUTLJVOQZITMPE-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN O=C1NC[C@]2(CCCN(CCCCCO)C2)O1 ZINC000372619622 387317239 /nfs/dbraw/zinc/31/72/39/387317239.db2.gz NYLSACNHKBILST-LBPRGKRZSA-N 0 3 242.319 0.723 20 0 BCADHN Cc1nc(CNC(=O)N[C@H](C)CN(C)C)no1 ZINC000353730001 387265651 /nfs/dbraw/zinc/26/56/51/387265651.db2.gz XQFOHQKHJQMSKT-SSDOTTSWSA-N 0 3 241.295 0.127 20 0 BCADHN CN1CCC[C@H](NC(=O)c2coc(CN)c2)C1 ZINC000645684705 387267052 /nfs/dbraw/zinc/26/70/52/387267052.db2.gz DTNGVKNNRZJJLR-JTQLQIEISA-N 0 3 237.303 0.562 20 0 BCADHN Cc1ccccc1CNC[C@@H](O)Cn1ccnn1 ZINC000459704893 387268141 /nfs/dbraw/zinc/26/81/41/387268141.db2.gz TZACQQQTNBRYMZ-CYBMUJFWSA-N 0 3 246.314 0.737 20 0 BCADHN COC[C@@H]1CCN1C(=O)C1CCN(C)CC1 ZINC000354040719 387317559 /nfs/dbraw/zinc/31/75/59/387317559.db2.gz ZQMSAIYBGSTEOR-NSHDSACASA-N 0 3 226.320 0.576 20 0 BCADHN CCC[C@@H]1C[C@H]1C(=O)NC[C@@](C)(O)CN(C)C ZINC000360361223 387271307 /nfs/dbraw/zinc/27/13/07/387271307.db2.gz FCVNHHCMXSKOTJ-NQBHXWOUSA-N 0 3 242.363 0.851 20 0 BCADHN OCCN1CCCC[C@H]1CNCc1cn[nH]c1 ZINC000648643909 387271864 /nfs/dbraw/zinc/27/18/64/387271864.db2.gz OLSLMAOBGFCOGX-LBPRGKRZSA-N 0 3 238.335 0.346 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H]1CO[C@@H](C)C1)N(C)C ZINC000572245928 387278535 /nfs/dbraw/zinc/27/85/35/387278535.db2.gz HUYWXZJUWXFVMV-GARJFASQSA-N 0 3 228.336 0.866 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000372156154 387278938 /nfs/dbraw/zinc/27/89/38/387278938.db2.gz IYHUDAXYLPTATB-UTUOFQBUSA-N 0 3 240.347 0.822 20 0 BCADHN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)C1(N)CC1 ZINC000514788546 387286157 /nfs/dbraw/zinc/28/61/57/387286157.db2.gz QDKJAXFMIYGCFZ-YUMQZZPRSA-N 0 3 228.292 0.182 20 0 BCADHN CN1CCN(C[C@@H](O)Cc2ccccc2)CC1 ZINC000193146900 387286707 /nfs/dbraw/zinc/28/67/07/387286707.db2.gz SEQWDRHSNFMXHW-AWEZNQCLSA-N 0 3 234.343 0.837 20 0 BCADHN Cc1cc[nH]c(=O)c1C(=O)NC[C@H]1CCCN1C ZINC000353882059 387290335 /nfs/dbraw/zinc/29/03/35/387290335.db2.gz PDNXUSGFICAKKP-SNVBAGLBSA-N 0 3 249.314 0.920 20 0 BCADHN O=C(CN1CC[C@@H](C2CC2)C1)NC1CC1 ZINC000372330993 387290506 /nfs/dbraw/zinc/29/05/06/387290506.db2.gz HLHPFQMFECRRET-SNVBAGLBSA-N 0 3 208.305 0.997 20 0 BCADHN CCOCCNC(=O)CN1CC[C@H](C2CC2)C1 ZINC000372337149 387291876 /nfs/dbraw/zinc/29/18/76/387291876.db2.gz AYGDIPCVDXTXJV-LBPRGKRZSA-N 0 3 240.347 0.871 20 0 BCADHN COC(=O)CCNC(=O)CN[C@H]1CCC1(C)C ZINC000514796354 387293413 /nfs/dbraw/zinc/29/34/13/387293413.db2.gz OSQACWZDRBEBBZ-VIFPVBQESA-N 0 3 242.319 0.444 20 0 BCADHN CC[C@@H](C(=O)N(C)Cc1nncn1C)N(C)C ZINC000360477120 387294429 /nfs/dbraw/zinc/29/44/29/387294429.db2.gz CYBXDWFLVGAKFA-VIFPVBQESA-N 0 3 239.323 0.114 20 0 BCADHN C[C@H](O)CNCc1ccc(CO)c(F)c1 ZINC000514855859 387296951 /nfs/dbraw/zinc/29/69/51/387296951.db2.gz FDJIPWFEPNCEEX-QMMMGPOBSA-N 0 3 213.252 0.788 20 0 BCADHN CC(C)[NH2+]CCC(=O)Nc1ccncc1[O-] ZINC000514860994 387297339 /nfs/dbraw/zinc/29/73/39/387297339.db2.gz TWVHCUSXYKHBKN-UHFFFAOYSA-N 0 3 223.276 0.536 20 0 BCADHN CCN(CC)CC(=O)N1CCO[C@H](C2CC2)C1 ZINC000372379529 387298508 /nfs/dbraw/zinc/29/85/08/387298508.db2.gz ZOHOSAAZDVDDMY-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN COC(=O)C(C)(C)CCNCC(=O)NC(C)C ZINC000353940104 387300694 /nfs/dbraw/zinc/30/06/94/387300694.db2.gz ANTJGKWEZTWZEJ-UHFFFAOYSA-N 0 3 244.335 0.690 20 0 BCADHN CC[C@@H](SC)C(=O)NC[C@H]1CNCCO1 ZINC000514865480 387300815 /nfs/dbraw/zinc/30/08/15/387300815.db2.gz WODSDYWSMSZSGA-RKDXNWHRSA-N 0 3 232.349 0.233 20 0 BCADHN CC1(C(=O)NCCN2CCCCC2)COC1 ZINC000360500769 387301293 /nfs/dbraw/zinc/30/12/93/387301293.db2.gz TYWYUEWETFWRAJ-UHFFFAOYSA-N 0 3 226.320 0.625 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC[C@H](O)[C@H](C)C2)C1 ZINC000514872332 387306278 /nfs/dbraw/zinc/30/62/78/387306278.db2.gz PCSGJFGEYLIVCX-UTUOFQBUSA-N 0 3 240.347 0.558 20 0 BCADHN CO[C@@H](C(=O)NCCNc1ccncc1)C1CC1 ZINC000352548783 387307923 /nfs/dbraw/zinc/30/79/23/387307923.db2.gz VXZXRURYRPDBSU-GFCCVEGCSA-N 0 3 249.314 0.457 20 0 BCADHN C[C@H](NC[C@H]1CNCCO1)c1ccco1 ZINC000423527584 387356904 /nfs/dbraw/zinc/35/69/04/387356904.db2.gz RYPICNWBTUTLOT-VHSXEESVSA-N 0 3 210.277 0.919 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1NCc1cc(=O)c(O)co1 ZINC000515308453 387362986 /nfs/dbraw/zinc/36/29/86/387362986.db2.gz LWBVHBSVRRALDI-WDEREUQCSA-N 0 3 239.271 0.594 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000423591367 387384225 /nfs/dbraw/zinc/38/42/25/387384225.db2.gz CCBSBUOABNFAGU-QCLAVDOMSA-N 0 3 240.303 0.004 20 0 BCADHN COc1nccc(CN2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000648593146 387363799 /nfs/dbraw/zinc/36/37/99/387363799.db2.gz XFJZCTSHADZRAY-JQWIXIFHSA-N 0 3 248.330 0.621 20 0 BCADHN COC[C@H](O)CNCc1cn(C)nc1C(F)F ZINC000360954390 387372000 /nfs/dbraw/zinc/37/20/00/387372000.db2.gz MNSMEKCTEUYFIG-MRVPVSSYSA-N 0 3 249.261 0.455 20 0 BCADHN COC[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC000336553937 387374738 /nfs/dbraw/zinc/37/47/38/387374738.db2.gz JDIIGZFGSUPZBL-ZJUUUORDSA-N 0 3 212.293 0.185 20 0 BCADHN O=C1CCCN1[C@@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000336553730 387374755 /nfs/dbraw/zinc/37/47/55/387374755.db2.gz DIVMTQOGTJKDQA-NEPJUHHUSA-N 0 3 238.331 0.862 20 0 BCADHN C[C@@H](CNC(=O)C1=CCOCC1)N(C)C ZINC000354428704 387375280 /nfs/dbraw/zinc/37/52/80/387375280.db2.gz PWIBHLBTYVWLCQ-VIFPVBQESA-N 0 3 212.293 0.399 20 0 BCADHN CCO[C@H]1C[C@@H](N[C@@H](C)C(=O)NC)C1(C)C ZINC000082922888 387384762 /nfs/dbraw/zinc/38/47/62/387384762.db2.gz UTXCWEVWKPTIAI-AEJSXWLSSA-N 0 3 228.336 0.914 20 0 BCADHN CC[C@H]1[C@H](C)CCN1C(=O)C(=O)N(C)CCN ZINC000423554795 387375712 /nfs/dbraw/zinc/37/57/12/387375712.db2.gz AEFNRBXLKMQAJD-ZJUUUORDSA-N 0 3 241.335 0.051 20 0 BCADHN CO[C@H]1CCN(C(=O)C2CCN(C)CC2)C1 ZINC000360980717 387380450 /nfs/dbraw/zinc/38/04/50/387380450.db2.gz ZFANJGSYKGPRPE-NSHDSACASA-N 0 3 226.320 0.576 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000360981437 387381008 /nfs/dbraw/zinc/38/10/08/387381008.db2.gz LJIBHMOERIENQB-MNOVXSKESA-N 0 3 228.336 0.820 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@@H](CO)[C@@H]1C ZINC000336558487 387382274 /nfs/dbraw/zinc/38/22/74/387382274.db2.gz XKXBEZMKLRBIDF-QWRGUYRKSA-N 0 3 223.320 0.931 20 0 BCADHN CCS(=O)(=O)C(C)C(=O)N1CCCCC1 ZINC000195587391 387322783 /nfs/dbraw/zinc/32/27/83/387322783.db2.gz LSTJTFFOAOBWFM-SECBINFHSA-N 0 3 233.333 0.822 20 0 BCADHN C[C@H](NCC(C)(C)OCCO)c1ccnn1C ZINC000287215453 387382547 /nfs/dbraw/zinc/38/25/47/387382547.db2.gz FRGKKLLEXIVIFB-JTQLQIEISA-N 0 3 241.335 0.858 20 0 BCADHN CCO[C@H]1C[C@@H]1C(=O)N(C)CCN(C)C1CC1 ZINC000354081705 387328163 /nfs/dbraw/zinc/32/81/63/387328163.db2.gz HDHZNVHOAWSHQI-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C)C(=O)CN1CCNC[C@@H]1c1cccnc1 ZINC000515060589 387329184 /nfs/dbraw/zinc/32/91/84/387329184.db2.gz SXSDLQAMZXGXSP-GFCCVEGCSA-N 0 3 248.330 0.116 20 0 BCADHN COCc1csc(NC(=O)C(C)(C)N)n1 ZINC000390511998 387330738 /nfs/dbraw/zinc/33/07/38/387330738.db2.gz ZYOGWQDERTUSOQ-UHFFFAOYSA-N 0 3 229.305 0.965 20 0 BCADHN CCC[C@@H]1C[C@H]1C(=O)NCCN(CC)CCO ZINC000360664680 387330749 /nfs/dbraw/zinc/33/07/49/387330749.db2.gz HSVUGYKTWBNPAO-VXGBXAGGSA-N 0 3 242.363 0.853 20 0 BCADHN CSC[C@@](C)(O)CNCc1c(C)cnn1C ZINC000286594669 387330954 /nfs/dbraw/zinc/33/09/54/387330954.db2.gz QUPVCDJCDJTRBS-NSHDSACASA-N 0 3 243.376 0.932 20 0 BCADHN CON(C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000372851612 387332085 /nfs/dbraw/zinc/33/20/85/387332085.db2.gz IYBDCKAWYCRIFY-NXEZZACHSA-N 0 3 243.307 0.052 20 0 BCADHN Cc1cnn(C)c1CNC[C@@H](C)CCO ZINC000286628529 387334853 /nfs/dbraw/zinc/33/48/53/387334853.db2.gz SKDAWTQWUFMCNB-VIFPVBQESA-N 0 3 211.309 0.837 20 0 BCADHN Cc1cnn(C)c1CNC(C)(C)CCO ZINC000286549070 387334950 /nfs/dbraw/zinc/33/49/50/387334950.db2.gz ONOACXACLJDSGJ-UHFFFAOYSA-N 0 3 211.309 0.979 20 0 BCADHN CCCC(=O)NC1(CCO)CCN(C)CC1 ZINC000354144641 387337160 /nfs/dbraw/zinc/33/71/60/387337160.db2.gz UVQSCSLVAYUUFB-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN COC[C@H](O)CN1CCC(c2c[nH]cn2)CC1 ZINC000360700936 387339845 /nfs/dbraw/zinc/33/98/45/387339845.db2.gz VJZPBUSMTQVYMW-LLVKDONJSA-N 0 3 239.319 0.596 20 0 BCADHN O=C1O[C@@H](CN2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000373034588 387342846 /nfs/dbraw/zinc/34/28/46/387342846.db2.gz GCHRIZQLGAUVHV-NXEZZACHSA-N 0 3 237.299 0.539 20 0 BCADHN Cc1ccncc1[C@H](C)NC[C@@H]1CNCCN1C ZINC000423504955 387343444 /nfs/dbraw/zinc/34/34/44/387343444.db2.gz GHCQDSGJHLJONT-STQMWFEESA-N 0 3 248.374 0.944 20 0 BCADHN CSCC[C@H](N)C(=O)N(C)c1ccn(C)n1 ZINC000515174712 387343575 /nfs/dbraw/zinc/34/35/75/387343575.db2.gz WHVMVUMJQGVLSD-QMMMGPOBSA-N 0 3 242.348 0.463 20 0 BCADHN CN(C)CCNC(=O)c1cnc2cccnn21 ZINC000515174246 387343748 /nfs/dbraw/zinc/34/37/48/387343748.db2.gz YFJACJMPMFMSJJ-UHFFFAOYSA-N 0 3 233.275 0.021 20 0 BCADHN COC(=O)CCNC(=O)CN1C[C@H](C)C[C@H]1C ZINC000354220215 387348059 /nfs/dbraw/zinc/34/80/59/387348059.db2.gz GJOZEMKEGZELDD-NXEZZACHSA-N 0 3 242.319 0.396 20 0 BCADHN COC(=O)C(C)(C)CNC(=O)[C@H](N)C(C)C ZINC000303388291 387349477 /nfs/dbraw/zinc/34/94/77/387349477.db2.gz CPOKFXRSULOBOX-MRVPVSSYSA-N 0 3 230.308 0.285 20 0 BCADHN Cc1ccc(CN2C[C@H](O)C[C@H]2CO)s1 ZINC000336526460 387350856 /nfs/dbraw/zinc/35/08/56/387350856.db2.gz AVOWPBZHRKZKRD-VHSXEESVSA-N 0 3 227.329 0.984 20 0 BCADHN CC(=O)N1CCN(C[C@H](O)C(C)C)C(C)(C)C1 ZINC000336529380 387353157 /nfs/dbraw/zinc/35/31/57/387353157.db2.gz YRFPRPWVJZVAIJ-LBPRGKRZSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CC(F)(F)CN1)N(C)C ZINC000360821718 387353468 /nfs/dbraw/zinc/35/34/68/387353468.db2.gz ZWJUPCFBCIBKSU-SFYZADRCSA-N 0 3 235.278 0.050 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC1CCC(O)CC1 ZINC000354728917 387423458 /nfs/dbraw/zinc/42/34/58/387423458.db2.gz LWQRHTDGKYIHGG-WHXUTIOJSA-N 0 3 243.351 0.539 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000423783522 387424313 /nfs/dbraw/zinc/42/43/13/387424313.db2.gz KLMTZKXMHGVHEM-AEJSXWLSSA-N 0 3 242.319 0.572 20 0 BCADHN CC[C@H](N)C(=O)N1CCNC(=O)[C@@H]1CC(C)C ZINC000423783022 387425695 /nfs/dbraw/zinc/42/56/95/387425695.db2.gz MZNCRENJOQOBEN-UWVGGRQHSA-N 0 3 241.335 0.097 20 0 BCADHN Cc1cc(CN(C)C)cc(NC(=O)CN)c1 ZINC000423793561 387426618 /nfs/dbraw/zinc/42/66/18/387426618.db2.gz XDTYTNZUVMFQET-UHFFFAOYSA-N 0 3 221.304 0.954 20 0 BCADHN CCC[C@H](N)C(=O)N(C)[C@H](C)C(=O)OC ZINC000423791758 387426671 /nfs/dbraw/zinc/42/66/71/387426671.db2.gz BIKXMSVDIUVDAW-SFYZADRCSA-N 0 3 216.281 0.134 20 0 BCADHN CC(C)OC(=O)CCCNC(=O)C(C)(C)N ZINC000423792129 387426844 /nfs/dbraw/zinc/42/68/44/387426844.db2.gz VIQDONMLPICWFI-UHFFFAOYSA-N 0 3 230.308 0.572 20 0 BCADHN COC(=O)[C@@H](C)N(C)C(=O)[C@H](C)NC1CC1 ZINC000423794108 387427326 /nfs/dbraw/zinc/42/73/26/387427326.db2.gz DDWKOGGULBOWAU-JGVFFNPUSA-N 0 3 228.292 0.147 20 0 BCADHN CCC[C@H](N)C(=O)N1CCNC(=O)[C@@H]1CCC ZINC000423790304 387427860 /nfs/dbraw/zinc/42/78/60/387427860.db2.gz GHHLMFVODAXJBH-UWVGGRQHSA-N 0 3 241.335 0.241 20 0 BCADHN Cn1ccnc(N2CC[C@@H](N3CC=CC3)C2)c1=O ZINC000374143290 387428031 /nfs/dbraw/zinc/42/80/31/387428031.db2.gz KGBPEESBWDRHFO-LLVKDONJSA-N 0 3 246.314 0.231 20 0 BCADHN CCC[C@H](NC(=O)C(C)(C)N)C(=O)OC ZINC000423793951 387428024 /nfs/dbraw/zinc/42/80/24/387428024.db2.gz CRGNKEYHBZSKBO-ZETCQYMHSA-N 0 3 216.281 0.182 20 0 BCADHN CCN(CC)CC(=O)NCC(C)(C)C(=O)NC ZINC000122055450 387461506 /nfs/dbraw/zinc/46/15/06/387461506.db2.gz HMOMCZZECPUNBM-UHFFFAOYSA-N 0 3 243.351 0.217 20 0 BCADHN Cc1nc(CNC(=O)[C@@H](C)N)nc2ccccc12 ZINC000083887557 387429056 /nfs/dbraw/zinc/42/90/56/387429056.db2.gz GMWAFMLZAMHLME-MRVPVSSYSA-N 0 3 244.298 0.902 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000423798479 387429397 /nfs/dbraw/zinc/42/93/97/387429397.db2.gz JTOVRQLDHMPTEF-ONGXEEELSA-N 0 3 226.320 0.751 20 0 BCADHN CCN(CC(F)F)C(=O)C(N)C(F)(F)F ZINC000423804473 387429622 /nfs/dbraw/zinc/42/96/22/387429622.db2.gz SBDBVAFGISPZHH-YFKPBYRVSA-N 0 3 234.168 0.990 20 0 BCADHN C[C@H](CN(C)[C@@H]1CCC[C@H]1O)CS(C)(=O)=O ZINC000352667505 387430624 /nfs/dbraw/zinc/43/06/24/387430624.db2.gz KWUBLUPDHGDXSH-GMTAPVOTSA-N 0 3 249.376 0.512 20 0 BCADHN CCC[C@@H](NC(=O)[C@@](C)(N)CCC)C(=O)OC ZINC000423807012 387430970 /nfs/dbraw/zinc/43/09/70/387430970.db2.gz WVZOXJXNMAFURE-SKDRFNHKSA-N 0 3 244.335 0.962 20 0 BCADHN CCN(CCOC)CCN1CCCOCC1 ZINC000361285554 387431127 /nfs/dbraw/zinc/43/11/27/387431127.db2.gz DLAUROTXICAZPN-UHFFFAOYSA-N 0 3 230.352 0.677 20 0 BCADHN COC[C@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000354802394 387431370 /nfs/dbraw/zinc/43/13/70/387431370.db2.gz HXUKWNGIVXQCSR-IUCAKERBSA-N 0 3 217.313 0.271 20 0 BCADHN C[C@@H](Cc1c[nH]cn1)C(=O)NCCN(C)C ZINC000515864482 387431596 /nfs/dbraw/zinc/43/15/96/387431596.db2.gz DVVIYIZCSXRUSV-VIFPVBQESA-N 0 3 224.308 0.266 20 0 BCADHN CNCC(=O)NC(C)(C)C(=O)NCC(C)(C)C ZINC000423822790 387431888 /nfs/dbraw/zinc/43/18/88/387431888.db2.gz KETLOWUDCBCCAI-UHFFFAOYSA-N 0 3 243.351 0.263 20 0 BCADHN CCOC[C@@H](O)CN1CCN(CC)C[C@@H]1C ZINC000352677784 387433968 /nfs/dbraw/zinc/43/39/68/387433968.db2.gz WJLHGVACAGMZTA-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN CC[C@@H](O)[C@H]1CCCCN1CC(N)=O ZINC000304089015 387434123 /nfs/dbraw/zinc/43/41/23/387434123.db2.gz ANUFPNHKARSNGF-RKDXNWHRSA-N 0 3 200.282 0.097 20 0 BCADHN C[C@H](F)CCN1CCC(S(N)(=O)=O)CC1 ZINC000367134016 387434935 /nfs/dbraw/zinc/43/49/35/387434935.db2.gz SOMCQUOQSVSYBZ-QMMMGPOBSA-N 0 3 238.328 0.487 20 0 BCADHN O=C(CN1C[C@H]2CCC[C@@H](C1)C2O)NC1CC1 ZINC000374235596 387435998 /nfs/dbraw/zinc/43/59/98/387435998.db2.gz MTCFUFRGDCYHKD-HWYHXSKPSA-N 0 3 238.331 0.358 20 0 BCADHN CCN(CC(=O)N(C)CC1CC1)CC(C)(C)O ZINC000304102013 387437433 /nfs/dbraw/zinc/43/74/33/387437433.db2.gz IDAKYRXYGZIWGQ-UHFFFAOYSA-N 0 3 242.363 0.948 20 0 BCADHN CN([C@H]1CCC[C@H]1O)[C@@H]1CCCNC1=O ZINC000352688598 387437937 /nfs/dbraw/zinc/43/79/37/387437937.db2.gz BPXQRGXPIRKATE-IVZWLZJFSA-N 0 3 212.293 0.110 20 0 BCADHN CC[C@H](NC(=O)[C@H](CC)N(C)C)C(=O)OC ZINC000361327165 387438329 /nfs/dbraw/zinc/43/83/29/387438329.db2.gz TVFBKKNHGQSUNI-IUCAKERBSA-N 0 3 230.308 0.394 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)C(N)C(F)(F)F)C1 ZINC000423864899 387439672 /nfs/dbraw/zinc/43/96/72/387439672.db2.gz 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OQNIGFWGMNNABJ-SECBINFHSA-N 0 3 230.308 0.394 20 0 BCADHN Cc1nnc(NC(=O)[C@@H]2C[C@H](C)CCN2)n1C ZINC000423882103 387444859 /nfs/dbraw/zinc/44/48/59/387444859.db2.gz SFEURPXRZVUCFK-APPZFPTMSA-N 0 3 237.307 0.450 20 0 BCADHN CC[C@H]1CC[C@@H](C)N1C(=O)COC1CNC1 ZINC000423893200 387445934 /nfs/dbraw/zinc/44/59/34/387445934.db2.gz ZNDLNEZMTOBHGE-ZJUUUORDSA-N 0 3 226.320 0.764 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000423890512 387445971 /nfs/dbraw/zinc/44/59/71/387445971.db2.gz ZCKUPNBZJLVNKL-NQBHXWOUSA-N 0 3 240.347 0.999 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)C1CCOCC1 ZINC000336604573 387446512 /nfs/dbraw/zinc/44/65/12/387446512.db2.gz AYLLKDGGBVSKMA-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CC(=O)NCCN(C)CC1(O)CCCC1 ZINC000162609930 387447358 /nfs/dbraw/zinc/44/73/58/387447358.db2.gz ZIBGDYMRSDSHHF-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN CO[C@H]1CCN(CCC(=O)NC(C)C)C1 ZINC000361361911 387447772 /nfs/dbraw/zinc/44/77/72/387447772.db2.gz MXHYWSLTAKARDY-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN CN(CCc1ccncc1)[C@@H]1COC[C@@H]1O ZINC000304239664 387450090 /nfs/dbraw/zinc/45/00/90/387450090.db2.gz NJUQUBNRZQYIGH-NEPJUHHUSA-N 0 3 222.288 0.316 20 0 BCADHN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)[C@H]1CCCCN1 ZINC000423920557 387450548 /nfs/dbraw/zinc/45/05/48/387450548.db2.gz GSZAOOCFUNSFIE-DDHJBXDOSA-N 0 3 238.331 0.812 20 0 BCADHN O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)[C@H]1CCCCN1 ZINC000423920558 387450617 /nfs/dbraw/zinc/45/06/17/387450617.db2.gz GSZAOOCFUNSFIE-IRCOFANPSA-N 0 3 238.331 0.812 20 0 BCADHN CC[C@]1(O)CCN(CCN2CCCOCC2)C1 ZINC000361373294 387450759 /nfs/dbraw/zinc/45/07/59/387450759.db2.gz CEUHHGZEMPYPST-ZDUSSCGKSA-N 0 3 242.363 0.556 20 0 BCADHN C[C@H](CN[C@@H]1CC[C@H](F)C1)S(C)(=O)=O ZINC000516051930 387451076 /nfs/dbraw/zinc/45/10/76/387451076.db2.gz HMEDKPLMXAOZJM-HRDYMLBCSA-N 0 3 223.313 0.900 20 0 BCADHN CC[C@H](O)CNCc1ccc2c(c1)C(=O)NCC2 ZINC000516052156 387451645 /nfs/dbraw/zinc/45/16/45/387451645.db2.gz XXPNFANURBQRTD-LBPRGKRZSA-N 0 3 248.326 0.833 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CC(C)[C@](C)(O)C(=O)NC[C@@H](C)N(C)C ZINC000352622475 387385183 /nfs/dbraw/zinc/38/51/83/387385183.db2.gz DFIXDOSUAIHYEN-KOLCDFICSA-N 0 3 216.325 0.460 20 0 BCADHN C[C@@H]1C[C@H](CN(C)[C@H]2CCNC2=O)CCO1 ZINC000352628177 387388751 /nfs/dbraw/zinc/38/87/51/387388751.db2.gz JVMUBCXWYUGUNA-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@H](O)CCNCc1cnc(C)n1C ZINC000515500322 387390822 /nfs/dbraw/zinc/39/08/22/387390822.db2.gz KTGLSZFHYZQNPF-LLVKDONJSA-N 0 3 211.309 0.979 20 0 BCADHN C[C@H](O)C[C@H](C)NCc1cnc(N(C)C)nc1 ZINC000361027032 387391335 /nfs/dbraw/zinc/39/13/35/387391335.db2.gz AJNNOSYRBQIADU-UWVGGRQHSA-N 0 3 238.335 0.792 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCc1ccn(C)n1 ZINC000354568453 387396565 /nfs/dbraw/zinc/39/65/65/387396565.db2.gz CAXNWAZDYJDWNE-JTQLQIEISA-N 0 3 238.335 0.419 20 0 BCADHN Cc1[nH]ncc1CNCc1nc(N(C)C)no1 ZINC000354983187 387460362 /nfs/dbraw/zinc/46/03/62/387460362.db2.gz SGNLFESKXCHSTH-UHFFFAOYSA-N 0 3 236.279 0.457 20 0 BCADHN CCN(CCOCCO)CCc1ccccn1 ZINC000265809821 387400370 /nfs/dbraw/zinc/40/03/70/387400370.db2.gz PSTJFFWJXMQXAD-UHFFFAOYSA-N 0 3 238.331 0.955 20 0 BCADHN COC[C@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000354613214 387402579 /nfs/dbraw/zinc/40/25/79/387402579.db2.gz BUNYKYXDYGEUDA-UWVGGRQHSA-N 0 3 229.324 0.415 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CCC[C@@H]1CN(C)C ZINC000352644929 387404813 /nfs/dbraw/zinc/40/48/13/387404813.db2.gz QSWPIYDPCYVENL-GHMZBOCLSA-N 0 3 228.336 0.556 20 0 BCADHN COCCNCC(=O)NC[C@@H]1CCC[C@H]1OC ZINC000423745890 387407271 /nfs/dbraw/zinc/40/72/71/387407271.db2.gz NDJVOADUMRGWGU-WDEREUQCSA-N 0 3 244.335 0.154 20 0 BCADHN CCN(C)C(=O)C(=O)N1CCC[C@H](C)[C@H]1CN ZINC000423741802 387407306 /nfs/dbraw/zinc/40/73/06/387407306.db2.gz TXLOTDGVGLNGNY-VHSXEESVSA-N 0 3 241.335 0.051 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@@H]1C[C@H](C)CCN1 ZINC000423745511 387407747 /nfs/dbraw/zinc/40/77/47/387407747.db2.gz PQYBOWIIARWWIB-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCSC1 ZINC000354635292 387407773 /nfs/dbraw/zinc/40/77/73/387407773.db2.gz LGRYDCWUXANYTA-SECBINFHSA-N 0 3 216.350 0.807 20 0 BCADHN CC[C@@H](N)C(=O)N(C)C1CCOCC1 ZINC000036871906 387408640 /nfs/dbraw/zinc/40/86/40/387408640.db2.gz OOQUCQSKJXTOSS-SECBINFHSA-N 0 3 200.282 0.361 20 0 BCADHN CCCCCN1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000373970434 387408681 /nfs/dbraw/zinc/40/86/81/387408681.db2.gz UZNYXWXSVSEZAV-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1C[C@H]1CC(=O)NCC1(O)CCN(C)CC1 ZINC000354639796 387409318 /nfs/dbraw/zinc/40/93/18/387409318.db2.gz NJQDZCSLSPOMHI-MNOVXSKESA-N 0 3 240.347 0.605 20 0 BCADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CC[C@H](C)[NH3+] ZINC000423751832 387410009 /nfs/dbraw/zinc/41/00/09/387410009.db2.gz BOQZXBPLIYMMJI-YFKPBYRVSA-N 0 3 240.263 0.262 20 0 BCADHN C[C@@H](NC(=O)COC(F)F)C1=CCN(C)CC1 ZINC000354648676 387411885 /nfs/dbraw/zinc/41/18/85/387411885.db2.gz DYIYILPHXFCOMH-MRVPVSSYSA-N 0 3 248.273 0.992 20 0 BCADHN Cc1ccc(NC(=O)[C@H]2CCN2)c(=O)[nH]1 ZINC000423755033 387412227 /nfs/dbraw/zinc/41/22/27/387412227.db2.gz GQXOLYPHWAHAEY-SSDOTTSWSA-N 0 3 207.233 0.396 20 0 BCADHN CC[C@@H](C(=O)N(C)C[C@@H](C)O)N(C)C ZINC000122029064 387460849 /nfs/dbraw/zinc/46/08/49/387460849.db2.gz VJSZYWFEYQWMSR-BDAKNGLRSA-N 0 3 202.298 0.166 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000423759842 387413748 /nfs/dbraw/zinc/41/37/48/387413748.db2.gz IQHMXXWPWJJLES-WHOHXGKFSA-N 0 3 240.347 0.997 20 0 BCADHN C[C@@H](O)CN1CC[C@H](NC(=O)C2CCC2)C1 ZINC000374049791 387413916 /nfs/dbraw/zinc/41/39/16/387413916.db2.gz IQMMQLKOKLOAAQ-KOLCDFICSA-N 0 3 226.320 0.358 20 0 BCADHN CCCC[C@@H](N)C(=O)NCC1(C(=O)OC)CC1 ZINC000423759856 387414943 /nfs/dbraw/zinc/41/49/43/387414943.db2.gz ISXSVHZABWMSLM-SECBINFHSA-N 0 3 242.319 0.573 20 0 BCADHN CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000423765119 387416951 /nfs/dbraw/zinc/41/69/51/387416951.db2.gz YPDJPOYBJPHINZ-ZJUUUORDSA-N 0 3 249.314 0.792 20 0 BCADHN CC[C@H](O)CN1CCC(NC(=O)C2CC2)CC1 ZINC000303975376 387417460 /nfs/dbraw/zinc/41/74/60/387417460.db2.gz BJKMHDJYGLIQFX-LBPRGKRZSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)C[C@H](C)NC(=O)CCOC1CNC1 ZINC000423767434 387418460 /nfs/dbraw/zinc/41/84/60/387418460.db2.gz XDVLNIHMDWNZED-JTQLQIEISA-N 0 3 228.336 0.916 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1CCSC1 ZINC000354705396 387418838 /nfs/dbraw/zinc/41/88/38/387418838.db2.gz IYSSHEJLFBDJIU-SECBINFHSA-N 0 3 216.350 0.760 20 0 BCADHN C[C@@H](O)[C@H]1CCCCN1CCN1CCCC1=O ZINC000303980818 387420472 /nfs/dbraw/zinc/42/04/72/387420472.db2.gz FKNPCDURGDXCJX-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)c1cnn(C)c1C ZINC000037001478 387420700 /nfs/dbraw/zinc/42/07/00/387420700.db2.gz CYSKXFFPSKZSHG-GMSGAONNSA-N 0 3 224.308 0.643 20 0 BCADHN CCC[C@@H]1CN(C(=O)[C@H](N)C(C)C)CCO1 ZINC000423772358 387420773 /nfs/dbraw/zinc/42/07/73/387420773.db2.gz KBXWUJZQVNPIHM-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N(C)[C@@H]1CC1(C)C ZINC000423770556 387420869 /nfs/dbraw/zinc/42/08/69/387420869.db2.gz GTYBXOXCFZKPEL-RKDXNWHRSA-N 0 3 242.319 0.524 20 0 BCADHN CC(C)OCCNC(=O)CNC[C@@H]1CCCO1 ZINC000423771473 387421136 /nfs/dbraw/zinc/42/11/36/387421136.db2.gz IQONXUFENUKUIA-NSHDSACASA-N 0 3 244.335 0.296 20 0 BCADHN CO[C@H](CN)C(=O)N(C)[C@@H]1CC1(C)C ZINC000423771152 387421285 /nfs/dbraw/zinc/42/12/85/387421285.db2.gz HYWIKSDWAYFHNM-HTQZYQBOSA-N 0 3 200.282 0.217 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCOC[C@@H]1CCCO1 ZINC000516284894 387496005 /nfs/dbraw/zinc/49/60/05/387496005.db2.gz IZWRYPDUGYHQKA-QJPTWQEYSA-N 0 3 245.319 0.185 20 0 BCADHN C[C@@]1(C(N)=O)CCN(C[C@H](O)C(F)(F)F)C1 ZINC000361568926 387496372 /nfs/dbraw/zinc/49/63/72/387496372.db2.gz YPKZYIPEXYUIOR-POYBYMJQSA-N 0 3 240.225 0.107 20 0 BCADHN COC[C@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000352805333 387496468 /nfs/dbraw/zinc/49/64/68/387496468.db2.gz KWYCSBBROARLGN-SRVKXCTJSA-N 0 3 240.347 0.822 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1COC(C)(C)C1 ZINC000396830302 387496978 /nfs/dbraw/zinc/49/69/78/387496978.db2.gz QBWJHNNRCKSUGV-IUCAKERBSA-N 0 3 214.309 0.668 20 0 BCADHN C[C@H](C(=O)N1CCCCC1)N1CC[C@](C)(O)C1 ZINC000300011582 387497142 /nfs/dbraw/zinc/49/71/42/387497142.db2.gz QFGZRNGYDMTDIC-YPMHNXCESA-N 0 3 240.347 0.844 20 0 BCADHN COC(=O)CCCN(CCO)[C@H]1CCO[C@@H]1C ZINC000361578752 387498011 /nfs/dbraw/zinc/49/80/11/387498011.db2.gz PRIMPHPBOVCQIA-MNOVXSKESA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)CCN(CCO)[C@H]1CCO[C@@H]1C ZINC000361580210 387498096 /nfs/dbraw/zinc/49/80/96/387498096.db2.gz WCGRNPBHBDJPHD-ZJUUUORDSA-N 0 3 231.292 0.021 20 0 BCADHN C[C@@H]1OCC[C@@H]1N(CCO)CCOCC1CC1 ZINC000361576024 387500077 /nfs/dbraw/zinc/50/00/77/387500077.db2.gz FAJFRNUTHFCDFL-AAEUAGOBSA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)CCOCCN1CC[C@@H](O)[C@H](CO)C1 ZINC000396843430 387500497 /nfs/dbraw/zinc/50/04/97/387500497.db2.gz IVRSBGXUEUEDJZ-QWHCGFSZSA-N 0 3 245.363 0.724 20 0 BCADHN CCN(CCN1CCCOCC1)[C@@H]1CCOC1 ZINC000361586452 387502107 /nfs/dbraw/zinc/50/21/07/387502107.db2.gz HSFJSFKQLVAMTB-CYBMUJFWSA-N 0 3 242.363 0.820 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)N[C@H](C)CN(C)C)C1 ZINC000355242802 387503299 /nfs/dbraw/zinc/50/32/99/387503299.db2.gz RMBRODXMTWIZSA-GMTAPVOTSA-N 0 3 243.351 0.803 20 0 BCADHN CC[C@@H](C)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000421921905 387504265 /nfs/dbraw/zinc/50/42/65/387504265.db2.gz SVEJWTAXDWNIHY-NEPJUHHUSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000375036371 387506194 /nfs/dbraw/zinc/50/61/94/387506194.db2.gz HJMFMGADDSCVOH-UTUOFQBUSA-N 0 3 239.363 0.489 20 0 BCADHN CCN(CCN1CCOC[C@H]1C)[C@@H]1CCOC1 ZINC000361593964 387506743 /nfs/dbraw/zinc/50/67/43/387506743.db2.gz IEHSGUHUQLKDPL-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN Cc1cc(CNC(=O)[C@@H]2CCCCN2)[nH]n1 ZINC000648079604 387507231 /nfs/dbraw/zinc/50/72/31/387507231.db2.gz CQQDYCUCYHWJIN-JTQLQIEISA-N 0 3 222.292 0.476 20 0 BCADHN CCC[C@](C)(N)C(=O)NCc1cc(C)n[nH]1 ZINC000648079610 387508069 /nfs/dbraw/zinc/50/80/69/387508069.db2.gz DVARWHBEUHWEJV-NSHDSACASA-N 0 3 224.308 0.852 20 0 BCADHN Cc1cc(CNC(=O)C(N)C(F)(F)F)[nH]n1 ZINC000648079598 387508407 /nfs/dbraw/zinc/50/84/07/387508407.db2.gz CIEIFFJLCQZUQZ-LURJTMIESA-N 0 3 236.197 0.224 20 0 BCADHN CC[C@@H](N)C(=O)N(C)C[C@H]1CCCCO1 ZINC000042466119 387508484 /nfs/dbraw/zinc/50/84/84/387508484.db2.gz PKXSAUDBWBHVEF-NXEZZACHSA-N 0 3 214.309 0.751 20 0 BCADHN Cc1cc(CNC(=O)C(N)C(F)(F)F)n[nH]1 ZINC000648079598 387508412 /nfs/dbraw/zinc/50/84/12/387508412.db2.gz CIEIFFJLCQZUQZ-LURJTMIESA-N 0 3 236.197 0.224 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H](C)C[C@H](CO)C1 ZINC000421960644 387508471 /nfs/dbraw/zinc/50/84/71/387508471.db2.gz GMNPUCRWXDFWSR-NEPJUHHUSA-N 0 3 242.363 0.805 20 0 BCADHN CN(CC[C@@H]1CCCCO1)[C@@H]1COC[C@@H]1O ZINC000352816079 387508546 /nfs/dbraw/zinc/50/85/46/387508546.db2.gz OGIVQFGIZCNHPC-TUAOUCFPSA-N 0 3 229.320 0.637 20 0 BCADHN CN1CCC[C@@H](CNC(=O)CC(C)(C)O)C1 ZINC000527161615 387509309 /nfs/dbraw/zinc/50/93/09/387509309.db2.gz UPKQVHWPGZHTQT-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@@H](N)C(=O)NCCOc1ccccc1 ZINC000042897570 387509520 /nfs/dbraw/zinc/50/95/20/387509520.db2.gz IRRNVMLLJNFXMI-LLVKDONJSA-N 0 3 222.288 0.919 20 0 BCADHN C[C@@H](O)CCCN1CCN2CCOC[C@H]2C1 ZINC000355269658 387509629 /nfs/dbraw/zinc/50/96/29/387509629.db2.gz CPEBFPYYHMQBJG-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN COC(=O)c1cc(CNCC2(O)CCC2)c[nH]1 ZINC000304824070 387515580 /nfs/dbraw/zinc/51/55/80/387515580.db2.gz FIRIUVKLPJGHKE-UHFFFAOYSA-N 0 3 238.287 0.806 20 0 BCADHN COC[C@@H](O)CNCc1cccc2c[nH]nc21 ZINC000304839273 387517318 /nfs/dbraw/zinc/51/73/18/387517318.db2.gz IQWMRFTWKSHTES-NSHDSACASA-N 0 3 235.287 0.660 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](C)C[C@H](CO)C1 ZINC000421991385 387517648 /nfs/dbraw/zinc/51/76/48/387517648.db2.gz WHQVHJUVKFLQDK-NEPJUHHUSA-N 0 3 242.363 0.804 20 0 BCADHN Cc1nnc(N2CC[C@H]3CCN(C)C[C@H]32)o1 ZINC000375235745 387518192 /nfs/dbraw/zinc/51/81/92/387518192.db2.gz WMQQUKZRDDQQEU-NXEZZACHSA-N 0 3 222.292 0.908 20 0 BCADHN COC(=O)C1(C(=O)NC[C@@H](C)N(C)C)CC1 ZINC000361653139 387518503 /nfs/dbraw/zinc/51/85/03/387518503.db2.gz ZHJDLODVDVSLQI-MRVPVSSYSA-N 0 3 228.292 0.006 20 0 BCADHN Cc1cnc(CN2C[C@H](C)[C@@H](CO)C2)cn1 ZINC000361660070 387518550 /nfs/dbraw/zinc/51/85/50/387518550.db2.gz JQFOCLUTWWPLQM-GXSJLCMTSA-N 0 3 221.304 0.845 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCSC2)CCN1CCO ZINC000426164139 387543838 /nfs/dbraw/zinc/54/38/38/387543838.db2.gz XOSLAVQFEIXTTL-NEPJUHHUSA-N 0 3 244.404 0.738 20 0 BCADHN CO[C@H](C(=O)NCCN1CC[C@@H](C)C1)C1CC1 ZINC000527176581 387521349 /nfs/dbraw/zinc/52/13/49/387521349.db2.gz CWPGQQDLLGLZBW-PWSUYJOCSA-N 0 3 240.347 0.869 20 0 BCADHN O=C(CCN(CCO)C1CC1)Nc1cccnc1 ZINC000361699690 387521760 /nfs/dbraw/zinc/52/17/60/387521760.db2.gz REGWYTBNMMWRNT-UHFFFAOYSA-N 0 3 249.314 0.867 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000361695294 387521863 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KJJIRPKYAIBQAQ-SNVBAGLBSA-N 0 3 216.325 0.604 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@H](C)C[S@](C)=O ZINC000355081154 387476711 /nfs/dbraw/zinc/47/67/11/387476711.db2.gz KXXUSAKDOPMCEH-LGZSNQIQSA-N 0 3 249.380 0.003 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCC[C@@H]1CCOC1 ZINC000355104654 387479914 /nfs/dbraw/zinc/47/99/14/387479914.db2.gz RQFFMLVIETYBKP-WDEREUQCSA-N 0 3 243.351 0.662 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCC[C@H]1CCOC1 ZINC000355104652 387480430 /nfs/dbraw/zinc/48/04/30/387480430.db2.gz RQFFMLVIETYBKP-MNOVXSKESA-N 0 3 243.351 0.662 20 0 BCADHN CCN(CC(=O)NC(=O)NC)CC(C)(C)C ZINC000361529675 387481762 /nfs/dbraw/zinc/48/17/62/387481762.db2.gz VIGAWVJZKAMIAJ-UHFFFAOYSA-N 0 3 229.324 0.810 20 0 BCADHN Cc1ccc(OCCNC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000424085797 387486253 /nfs/dbraw/zinc/48/62/53/387486253.db2.gz ZRPLLKPUEIUUIU-NEPJUHHUSA-N 0 3 234.299 0.837 20 0 BCADHN CN(CCCC1CCOCC1)[C@H]1COC[C@@H]1O ZINC000352796282 387487802 /nfs/dbraw/zinc/48/78/02/387487802.db2.gz UTIYZVIIYWNEMX-STQMWFEESA-N 0 3 243.347 0.885 20 0 BCADHN COC(=O)C(C)(C)CCN[C@@H](C)C(=O)N(C)C ZINC000355153133 387488380 /nfs/dbraw/zinc/48/83/80/387488380.db2.gz ALIZQKYNDHWASM-VIFPVBQESA-N 0 3 244.335 0.642 20 0 BCADHN CN(CCc1cccnc1)[C@H]1COC[C@@H]1O ZINC000352801600 387492026 /nfs/dbraw/zinc/49/20/26/387492026.db2.gz SPONWOQRSKYHFR-RYUDHWBXSA-N 0 3 222.288 0.316 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000374806296 387492206 /nfs/dbraw/zinc/49/22/06/387492206.db2.gz LNXAKZCTEWXHLM-SDDRHHMPSA-N 0 3 240.347 0.999 20 0 BCADHN CCN(C[C@H](C)OC)[C@@H]1CCN(C)C1=O ZINC000361564475 387492582 /nfs/dbraw/zinc/49/25/82/387492582.db2.gz MITPOEZRNGERCK-VHSXEESVSA-N 0 3 214.309 0.574 20 0 BCADHN CN(C)CCNC(=O)CN1CCCCCC1=O ZINC000192519117 387493098 /nfs/dbraw/zinc/49/30/98/387493098.db2.gz JPOSYBTVUJZSCU-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN CC(=O)N1CC(N[C@H]2CCSC2)C1 ZINC000516313615 387493117 /nfs/dbraw/zinc/49/31/17/387493117.db2.gz SSRFSXHUNYEEQV-QMMMGPOBSA-N 0 3 200.307 0.312 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCC1CC1 ZINC000123560675 387583983 /nfs/dbraw/zinc/58/39/83/387583983.db2.gz DQCUSBBNJKXBLH-MRVPVSSYSA-N 0 3 205.323 0.809 20 0 BCADHN CC[C@@H](C)CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000422223492 387583958 /nfs/dbraw/zinc/58/39/58/387583958.db2.gz HOYZIXDHBPLJSR-PWSUYJOCSA-N 0 3 243.351 0.398 20 0 BCADHN COC(=O)[C@@H]1CCN(CC2(F)CC2)C1 ZINC000527509830 387586674 /nfs/dbraw/zinc/58/66/74/387586674.db2.gz QELJOKGVJOTOER-MRVPVSSYSA-N 0 3 201.241 0.983 20 0 BCADHN Cn1ccnc1C[C@@H]1CCCN(CCO)C1 ZINC000123645710 387589578 /nfs/dbraw/zinc/58/95/78/387589578.db2.gz KKULTBFRUQDPEY-NSHDSACASA-N 0 3 223.320 0.667 20 0 BCADHN CC[C@H](C)CNC(=O)NC[C@](C)(O)CN(C)C ZINC000422234421 387589631 /nfs/dbraw/zinc/58/96/31/387589631.db2.gz WQUWDVPEEAHPKJ-JQWIXIFHSA-N 0 3 245.367 0.644 20 0 BCADHN OC[C@@H]1CCCN1CCOC[C@@H]1CCCO1 ZINC000152574082 387591886 /nfs/dbraw/zinc/59/18/86/387591886.db2.gz MTQAIVPMAVTQGD-RYUDHWBXSA-N 0 3 229.320 0.639 20 0 BCADHN CN(CC1(O)CCCC1)[C@H]1CCCCNC1=O ZINC000123735311 387592023 /nfs/dbraw/zinc/59/20/23/387592023.db2.gz QDUJFEBINYZPDS-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN CN(CC1(O)CCCC1)[C@@H]1CCCCNC1=O ZINC000123735020 387592115 /nfs/dbraw/zinc/59/21/15/387592115.db2.gz QDUJFEBINYZPDS-LLVKDONJSA-N 0 3 240.347 0.892 20 0 BCADHN OC[C@H]1CCCN1CCOC[C@@H]1CCCO1 ZINC000152574004 387593125 /nfs/dbraw/zinc/59/31/25/387593125.db2.gz MTQAIVPMAVTQGD-NEPJUHHUSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000355922482 387595710 /nfs/dbraw/zinc/59/57/10/387595710.db2.gz IEVYNRUDEVOVFH-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H](O)CC(C)(C)CNC(=O)[C@@H]1C[C@@H]1N ZINC000424124495 387597012 /nfs/dbraw/zinc/59/70/12/387597012.db2.gz MIYCYFDOTIJHTJ-HLTSFMKQSA-N 0 3 214.309 0.247 20 0 BCADHN CC(C)(O)C(=O)NC1CCN(C2CC2)CC1 ZINC000362347460 387598180 /nfs/dbraw/zinc/59/81/80/387598180.db2.gz WCPFDSIQOXWKLD-UHFFFAOYSA-N 0 3 226.320 0.500 20 0 BCADHN CC[C@@H](CCO)NC(=O)[C@H](CC)N(C)C ZINC000305379845 387601237 /nfs/dbraw/zinc/60/12/37/387601237.db2.gz WQWBGHMCMQSEKJ-UWVGGRQHSA-N 0 3 216.325 0.604 20 0 BCADHN CO[C@@H]1CC[C@@H]2OCCN(CCCO)[C@H]2C1 ZINC000305374835 387601273 /nfs/dbraw/zinc/60/12/73/387601273.db2.gz YVQCIWDXDJSGBE-WOPDTQHZSA-N 0 3 229.320 0.637 20 0 BCADHN CC[C@@H](C(=O)OC)N1CC[C@@](C)(C(=O)NC)C1 ZINC000430261998 387603301 /nfs/dbraw/zinc/60/33/01/387603301.db2.gz WTSJIHRGVVVKBE-JOYOIKCWSA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@H](C)CNC(=O)NC[C@@H]1CNCCO1 ZINC000422608931 387607284 /nfs/dbraw/zinc/60/72/84/387607284.db2.gz NJGMXQSBLYTFBJ-UWVGGRQHSA-N 0 3 229.324 0.320 20 0 BCADHN CC(=O)NCCCN1CCCC[C@H]1C(=N)NO ZINC000376095579 387607411 /nfs/dbraw/zinc/60/74/11/387607411.db2.gz LYYIEXAHMYCABM-JTQLQIEISA-N 0 3 242.323 0.323 20 0 BCADHN CN(C)CCOCCNC(=O)CC(C)(F)F ZINC000430287690 387608926 /nfs/dbraw/zinc/60/89/26/387608926.db2.gz YUMGFZUAVONSMU-UHFFFAOYSA-N 0 3 238.278 0.726 20 0 BCADHN CC1=C[C@@H](C)CN(CCCS(N)(=O)=O)C1 ZINC000430285409 387608989 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0.702 20 0 BCADHN CNCC(=O)NCc1csc([C@H](C)OC)n1 ZINC000431016332 387670651 /nfs/dbraw/zinc/67/06/51/387670651.db2.gz UPTUOCRYIGECKJ-ZETCQYMHSA-N 0 3 243.332 0.686 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)NCCNc1ccncc1 ZINC000356543161 387672103 /nfs/dbraw/zinc/67/21/03/387672103.db2.gz YLJCGTKVRRLPNO-CMPLNLGQSA-N 0 3 249.314 0.457 20 0 BCADHN CCN1CCC(NC(=O)c2cccnn2)CC1 ZINC000527715179 387672258 /nfs/dbraw/zinc/67/22/58/387672258.db2.gz BDGZGNUALYQXQE-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC[C@@]2(CCOC2)C1 ZINC000451909290 387676278 /nfs/dbraw/zinc/67/62/78/387676278.db2.gz LASVIFZNTYDVNA-CHWSQXEVSA-N 0 3 241.331 0.829 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCC[C@]2(CCOC2)C1 ZINC000451909293 387676333 /nfs/dbraw/zinc/67/63/33/387676333.db2.gz LASVIFZNTYDVNA-STQMWFEESA-N 0 3 241.331 0.829 20 0 BCADHN CCn1nncc1CNC[C@@H]1CCCOC1 ZINC000527727142 387676988 /nfs/dbraw/zinc/67/69/88/387676988.db2.gz LLJCACCRUPFLMF-JTQLQIEISA-N 0 3 224.308 0.814 20 0 BCADHN CCOC[C@H]1CCCN(CC(=O)N2CCC2)C1 ZINC000356575019 387677526 /nfs/dbraw/zinc/67/75/26/387677526.db2.gz KBCSHRMHDUNKCZ-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN CC[C@](C)(CO)NC(=O)CC1CCN(C)CC1 ZINC000362957822 387680122 /nfs/dbraw/zinc/68/01/22/387680122.db2.gz LEAKUTRDTZOQEW-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN O=C(N[C@H](CO)CN1CCCC1)[C@H]1CC12CC2 ZINC000640320211 387681711 /nfs/dbraw/zinc/68/17/11/387681711.db2.gz MVSFUILRRGBBGH-WDEREUQCSA-N 0 3 238.331 0.359 20 0 BCADHN CC[C@H](CO)NC(=O)CC1CCN(C)CC1 ZINC000362972223 387681870 /nfs/dbraw/zinc/68/18/70/387681870.db2.gz JOXUYXXGDUIUCX-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H](NC[C@@H]1COCCO1)c1cnn(C)c1 ZINC000044499916 387682184 /nfs/dbraw/zinc/68/21/84/387682184.db2.gz JZHLHZZBSPQJKF-MWLCHTKSSA-N 0 3 225.292 0.486 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCCn1cc(C)cn1 ZINC000451937671 387682931 /nfs/dbraw/zinc/68/29/31/387682931.db2.gz MMMPCOMYLNXRAD-VXGBXAGGSA-N 0 3 239.319 0.585 20 0 BCADHN CCOC(=O)CCCN[C@@H]1COC[C@H]1OCC ZINC000451939865 387683775 /nfs/dbraw/zinc/68/37/75/387683775.db2.gz RIHMKZYFOHYMIW-GHMZBOCLSA-N 0 3 245.319 0.723 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@@H](C)OC ZINC000451943052 387683961 /nfs/dbraw/zinc/68/39/61/387683961.db2.gz CXEYCNKTQVUYDX-OPRDCNLKSA-N 0 3 203.282 0.415 20 0 BCADHN Cn1nccc1CNC[C@H](O)[C@@H]1CCCO1 ZINC000527758227 387696408 /nfs/dbraw/zinc/69/64/08/387696408.db2.gz JGBSLIMWXHYBQA-QWRGUYRKSA-N 0 3 225.292 0.050 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCCn1ccnc1C ZINC000451944103 387684766 /nfs/dbraw/zinc/68/47/66/387684766.db2.gz FYFAZXXBWBQSOF-VXGBXAGGSA-N 0 3 239.319 0.585 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000640320362 387688054 /nfs/dbraw/zinc/68/80/54/387688054.db2.gz PTBFRYSZZPALAU-IJLUTSLNSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H](CCO)NC(=O)C12CCCN1CCC2 ZINC000377071290 387689560 /nfs/dbraw/zinc/68/95/60/387689560.db2.gz BLBKJBSBEOIGLC-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN CC[C@@](C)(NCC1(CC(=O)OC)CC1)C(N)=O ZINC000440777598 387693092 /nfs/dbraw/zinc/69/30/92/387693092.db2.gz ZSFRGYDTGTUOEJ-LLVKDONJSA-N 0 3 242.319 0.573 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@@H](CC(N)=O)C1 ZINC000367700864 387742799 /nfs/dbraw/zinc/74/27/99/387742799.db2.gz DMNLTMZYZJVRKB-JTQLQIEISA-N 0 3 236.319 0.426 20 0 BCADHN COC(=O)CCCN1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000377728428 387745934 /nfs/dbraw/zinc/74/59/34/387745934.db2.gz UCFZVERFRNYNHS-NXEZZACHSA-N 0 3 240.303 0.008 20 0 BCADHN Cc1cnn([C@H]2CCN(CCn3cncn3)C2)c1 ZINC000377770370 387746940 /nfs/dbraw/zinc/74/69/40/387746940.db2.gz DDYIDELIEOMBRT-LBPRGKRZSA-N 0 3 246.318 0.730 20 0 BCADHN C[C@H](NC(=O)[C@H]1CCCN1C)c1nc[nH]n1 ZINC000267741750 387747343 /nfs/dbraw/zinc/74/73/43/387747343.db2.gz OVQVKIWIJUVXPM-JGVFFNPUSA-N 0 3 223.280 0.076 20 0 BCADHN C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1nnc[n-]1 ZINC000267741750 387747350 /nfs/dbraw/zinc/74/73/50/387747350.db2.gz OVQVKIWIJUVXPM-JGVFFNPUSA-N 0 3 223.280 0.076 20 0 BCADHN C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1nnc[n-]1 ZINC000267741750 387747353 /nfs/dbraw/zinc/74/73/53/387747353.db2.gz OVQVKIWIJUVXPM-JGVFFNPUSA-N 0 3 223.280 0.076 20 0 BCADHN C[C@H](NC(=O)[C@H]1CCCN1C)c1nnc[nH]1 ZINC000267741750 387747358 /nfs/dbraw/zinc/74/73/58/387747358.db2.gz OVQVKIWIJUVXPM-JGVFFNPUSA-N 0 3 223.280 0.076 20 0 BCADHN COC(=O)CCCN1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000377728431 387747918 /nfs/dbraw/zinc/74/79/18/387747918.db2.gz UCFZVERFRNYNHS-ZJUUUORDSA-N 0 3 240.303 0.008 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@](F)(CO)C1 ZINC000367748319 387749795 /nfs/dbraw/zinc/74/97/95/387749795.db2.gz YOQVGVYOMGTHMC-GFCCVEGCSA-N 0 3 246.326 0.651 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1n[nH]c2c1CCC2 ZINC000237590417 387750138 /nfs/dbraw/zinc/75/01/38/387750138.db2.gz LSHHCXPPHXCEEG-DTWKUNHWSA-N 0 3 248.330 0.721 20 0 BCADHN CCCCOCCN1CCN(CCO)C[C@H]1C ZINC000452124998 387750150 /nfs/dbraw/zinc/75/01/50/387750150.db2.gz XDPDIXPQJPVOKZ-CYBMUJFWSA-N 0 3 244.379 0.802 20 0 BCADHN CO[C@H](C)CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000367795069 387752833 /nfs/dbraw/zinc/75/28/33/387752833.db2.gz NYGXBOPYDILUMC-UPJWGTAASA-N 0 3 242.363 0.552 20 0 BCADHN O=C(C1C[NH2+]C1)N1CCCC[C@H]1c1nc[n-]n1 ZINC000367812744 387754235 /nfs/dbraw/zinc/75/42/35/387754235.db2.gz AYZYDIZVRQWZFM-VIFPVBQESA-N 0 3 235.291 0.078 20 0 BCADHN O=C(CN1CC[C@@H](N2CCCC2)C1)N1CCC1 ZINC000363193544 387696885 /nfs/dbraw/zinc/69/68/85/387696885.db2.gz XBDGESZXZCURGD-GFCCVEGCSA-N 0 3 237.347 0.389 20 0 BCADHN COC(=O)CCN1CCC(OCCO)CC1 ZINC000126895405 387697471 /nfs/dbraw/zinc/69/74/71/387697471.db2.gz LIUILMNXUVAOLK-UHFFFAOYSA-N 0 3 231.292 0.023 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H](O)[C@@H]1CCCO1 ZINC000527759763 387698584 /nfs/dbraw/zinc/69/85/84/387698584.db2.gz VEOUCGNEUHCETD-MNOVXSKESA-N 0 3 225.292 0.348 20 0 BCADHN C[C@H](F)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000356683868 387700086 /nfs/dbraw/zinc/70/00/86/387700086.db2.gz YELXDBKLYWAXBT-QWRGUYRKSA-N 0 3 243.326 0.241 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000424141131 387700257 /nfs/dbraw/zinc/70/02/57/387700257.db2.gz WVNXPWLXOBOGPA-WDEREUQCSA-N 0 3 246.314 0.968 20 0 BCADHN C[C@H](NCCCS(N)(=O)=O)c1cccnc1 ZINC000045066586 387703921 /nfs/dbraw/zinc/70/39/21/387703921.db2.gz OJSKAFYATGAHPQ-VIFPVBQESA-N 0 3 243.332 0.411 20 0 BCADHN COC[C@H]1CCCCN1CC(=O)N(C)C ZINC000452029849 387704705 /nfs/dbraw/zinc/70/47/05/387704705.db2.gz LBWOHXMIRMSUAE-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CN(C)CC[C@](C)(O)CNC(=O)C1(C)CCC1 ZINC000431388136 387705602 /nfs/dbraw/zinc/70/56/02/387705602.db2.gz CGALSKICCWUISH-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN Cn1cc(CNCC[C@@H]2CCCOC2)nn1 ZINC000527739739 387707321 /nfs/dbraw/zinc/70/73/21/387707321.db2.gz OFXOVWKMTWOGPE-JTQLQIEISA-N 0 3 224.308 0.721 20 0 BCADHN COC(CN1CC[C@](O)(C2CC2)C1)OC ZINC000377269162 387708461 /nfs/dbraw/zinc/70/84/61/387708461.db2.gz WPRZSALUEMUAIL-LLVKDONJSA-N 0 3 215.293 0.452 20 0 BCADHN C[C@]12CN(CC(N)=O)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452041623 387710489 /nfs/dbraw/zinc/71/04/89/387710489.db2.gz JYCCAZLTLPGJMK-DTHBNOIPSA-N 0 3 208.305 0.840 20 0 BCADHN O=C(CN1CCC[C@@H]1[C@@H]1CCCO1)NC1CC1 ZINC000367463891 387711296 /nfs/dbraw/zinc/71/12/96/387711296.db2.gz OWAXVPGUBBKKJQ-NEPJUHHUSA-N 0 3 238.331 0.908 20 0 BCADHN COC[C@@H](O)CCNCc1c(C)noc1C ZINC000127490228 387713932 /nfs/dbraw/zinc/71/39/32/387713932.db2.gz CZNVTRAWGNJLAN-JTQLQIEISA-N 0 3 228.292 0.778 20 0 BCADHN CCN(CCCCCO)[C@@H]1CCNC1=O ZINC000440959410 387715897 /nfs/dbraw/zinc/71/58/97/387715897.db2.gz GNAVNWJZVXRSNG-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN CCN(CC)CCNC(=O)C[S@@](=O)CC ZINC000431519466 387716103 /nfs/dbraw/zinc/71/61/03/387716103.db2.gz NOELIHYZOIAKBJ-HNNXBMFYSA-N 0 3 234.365 0.213 20 0 BCADHN CCN(CC)CCNC(=O)C[S@](=O)CC ZINC000431519467 387716140 /nfs/dbraw/zinc/71/61/40/387716140.db2.gz NOELIHYZOIAKBJ-OAHLLOKOSA-N 0 3 234.365 0.213 20 0 BCADHN CCOC(=O)CCCN(CC)[C@@H]1CCNC1=O ZINC000440955208 387717117 /nfs/dbraw/zinc/71/71/17/387717117.db2.gz JKQLQRQCZFMZRS-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN CCN(CC[C@H]1CCCO1)[C@H]1CCNC1=O ZINC000440958369 387717167 /nfs/dbraw/zinc/71/71/67/387717167.db2.gz KBRGWUSRTKUEFW-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CCN(C)CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC000377419451 387717303 /nfs/dbraw/zinc/71/73/03/387717303.db2.gz NUHVVKWVMLYYHA-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN CCN(CCN1CCCCC1)[C@H]1CCNC1=O ZINC000440951190 387717551 /nfs/dbraw/zinc/71/75/51/387717551.db2.gz CTIUFUCTGVFMIZ-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN CC(=O)[C@](C)(O)CN1C[C@H](C)C[C@@H](O)C1 ZINC000452064801 387719359 /nfs/dbraw/zinc/71/93/59/387719359.db2.gz ACACDXLSAJNCIN-FBIMIBRVSA-N 0 3 215.293 0.029 20 0 BCADHN CCN(C[C@H](O)CCC(C)C)[C@@H]1CCNC1=O ZINC000440970279 387719494 /nfs/dbraw/zinc/71/94/94/387719494.db2.gz ZWIOGSNAYIPGCV-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN CCN(CC1CCOCC1)[C@@H]1CCNC1=O ZINC000440965346 387719755 /nfs/dbraw/zinc/71/97/55/387719755.db2.gz ZKVKBUNJSHQMSC-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN CN(CCCO)Cc1ccc2c(c1)nnn2C ZINC000440969581 387720140 /nfs/dbraw/zinc/72/01/40/387720140.db2.gz YHPOPSKAASXQSU-UHFFFAOYSA-N 0 3 234.303 0.783 20 0 BCADHN C[NH2+]C[C@H](C)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000422828247 387721652 /nfs/dbraw/zinc/72/16/52/387721652.db2.gz ODLANRLRZDJUGF-QMMMGPOBSA-N 0 3 247.302 0.543 20 0 BCADHN Cc1noc2ncc(NC(=O)[C@@H]3C[C@@H]3N)cc12 ZINC000424142133 387721870 /nfs/dbraw/zinc/72/18/70/387721870.db2.gz DFXDDJXSCXLEOT-BDAKNGLRSA-N 0 3 232.243 0.817 20 0 BCADHN CC(C)N(C)C[C@H](C)NC(=O)C1CC(=O)C1 ZINC000356790687 387722519 /nfs/dbraw/zinc/72/25/19/387722519.db2.gz YPISODFXVMUXNR-VIFPVBQESA-N 0 3 226.320 0.810 20 0 BCADHN COC[C@H](O)CN1CCS[C@@H]2COCC[C@@H]21 ZINC000127616170 387722990 /nfs/dbraw/zinc/72/29/90/387722990.db2.gz XANXWGQIYWMOEE-OUAUKWLOSA-N 0 3 247.360 0.200 20 0 BCADHN CN(C)S(=O)(=O)CCN1CC2CCC1CC2 ZINC000367553152 387723312 /nfs/dbraw/zinc/72/33/12/387723312.db2.gz LJYFSNBGHGWSFU-UHFFFAOYSA-N 0 3 246.376 0.752 20 0 BCADHN CN(C)C[C@@H]1CN(Cc2csnn2)CCO1 ZINC000127779860 387725373 /nfs/dbraw/zinc/72/53/73/387725373.db2.gz QPEINEFFZZXSQK-SNVBAGLBSA-N 0 3 242.348 0.301 20 0 BCADHN C[C@H](CN1CC[C@H](C)[C@@H]1CO)CS(C)(=O)=O ZINC000248972840 387726226 /nfs/dbraw/zinc/72/62/26/387726226.db2.gz TVQVLDZQOYLGMJ-VWYCJHECSA-N 0 3 249.376 0.370 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1OC[C@H]2CCC[C@@H]12 ZINC000377882496 387755688 /nfs/dbraw/zinc/75/56/88/387755688.db2.gz FNLFQBCJLOHADU-GMTAPVOTSA-N 0 3 226.320 0.479 20 0 BCADHN Cn1ncc(CNC[C@H]2CCN2C2CCCC2)n1 ZINC000527806291 387727396 /nfs/dbraw/zinc/72/73/96/387727396.db2.gz DYLXEJZYLAIPCA-CYBMUJFWSA-N 0 3 249.362 0.922 20 0 BCADHN COC[C@@H]1CCN1C(=O)NC[C@@H]1CCCN1C ZINC000432100604 387755719 /nfs/dbraw/zinc/75/57/19/387755719.db2.gz VNOINPIUSDGQPM-QWRGUYRKSA-N 0 3 241.335 0.511 20 0 BCADHN COC[C@H]1CCN1C(=O)NC[C@H]1CCCN1C ZINC000432100602 387755764 /nfs/dbraw/zinc/75/57/64/387755764.db2.gz VNOINPIUSDGQPM-GHMZBOCLSA-N 0 3 241.335 0.511 20 0 BCADHN Cn1ncc(CNC[C@@H]2CCN2C2CCCC2)n1 ZINC000527806292 387730464 /nfs/dbraw/zinc/73/04/64/387730464.db2.gz DYLXEJZYLAIPCA-ZDUSSCGKSA-N 0 3 249.362 0.922 20 0 BCADHN CCCCN(CCOC)C(=O)[C@@H]1C[C@@H]1N ZINC000424144009 387755770 /nfs/dbraw/zinc/75/57/70/387755770.db2.gz RNDVBOCZHCMMTO-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](CCCO)C1 ZINC000452115465 387733089 /nfs/dbraw/zinc/73/30/89/387733089.db2.gz BSGHHHUKWYQAMQ-NSHDSACASA-N 0 3 228.336 0.559 20 0 BCADHN O=C1NC[C@@H]2CN(CCOCC(F)F)CC[C@@H]12 ZINC000377658369 387735733 /nfs/dbraw/zinc/73/57/33/387735733.db2.gz XFCZEDXCHJVBBC-RKDXNWHRSA-N 0 3 248.273 0.336 20 0 BCADHN CCN(CC)[C@@H](C)CNC(=O)C[S@@](=O)CC ZINC000431908071 387737531 /nfs/dbraw/zinc/73/75/31/387737531.db2.gz XITHBXRIPLSVMO-QFYYESIMSA-N 0 3 248.392 0.602 20 0 BCADHN COC[C@@H](O)CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000377672973 387739496 /nfs/dbraw/zinc/73/94/96/387739496.db2.gz RHRMOEACSDOLKU-SDDRHHMPSA-N 0 3 243.347 0.883 20 0 BCADHN CC(C(=O)N1CCC[C@H]1C1CC1)S(C)(=O)=O ZINC000377686199 387740359 /nfs/dbraw/zinc/74/03/59/387740359.db2.gz JOSVCKHJDSRGIN-SCZZXKLOSA-N 0 3 245.344 0.821 20 0 BCADHN O=C1NC[C@H]2CN(CCOC3CCC3)CC[C@H]12 ZINC000377681135 387741819 /nfs/dbraw/zinc/74/18/19/387741819.db2.gz QQQNCUYODMKBTO-JQWIXIFHSA-N 0 3 238.331 0.623 20 0 BCADHN CC1(CN2CCCN(C(N)=O)CC2)COC1 ZINC000441494809 387763989 /nfs/dbraw/zinc/76/39/89/387763989.db2.gz DQRPSXKMWVVTSM-UHFFFAOYSA-N 0 3 227.308 0.109 20 0 BCADHN C[C@H]1[C@H](NC(=O)N(C)CCCO)CCCN1C ZINC000442647152 387811933 /nfs/dbraw/zinc/81/19/33/387811933.db2.gz LFMHIRSOPQFRTG-WDEREUQCSA-N 0 3 243.351 0.493 20 0 BCADHN Cn1ccc(NC(=O)[C@@]2(F)CCNC2)n1 ZINC000150766366 387768580 /nfs/dbraw/zinc/76/85/80/387768580.db2.gz GPLKLKCPDXHEPL-SECBINFHSA-N 0 3 212.228 0.060 20 0 BCADHN CC[C@H](C(=O)N[C@@H](COC)C1CC1)N(C)C ZINC000441579792 387769092 /nfs/dbraw/zinc/76/90/92/387769092.db2.gz JKTOHONBDOYCKP-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN CCC[C@@H](OC)C(=O)NCCOCCN(C)C ZINC000450445393 387769717 /nfs/dbraw/zinc/76/97/17/387769717.db2.gz ZYYFXQGOZWWQML-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN CC(C)CC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452378022 387812208 /nfs/dbraw/zinc/81/22/08/387812208.db2.gz UJKUAPJMEJABBS-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN COC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC000129537972 387772572 /nfs/dbraw/zinc/77/25/72/387772572.db2.gz VDWMSUYQWCGRIO-UWVGGRQHSA-N 0 3 216.325 0.724 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000163577823 387773195 /nfs/dbraw/zinc/77/31/95/387773195.db2.gz BRCDXDDXDSHIGL-NXEZZACHSA-N 0 3 230.352 0.883 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NC[C@@H](C)SC ZINC000422932761 387780865 /nfs/dbraw/zinc/78/08/65/387780865.db2.gz GQFGZDLDJZRDOV-OPRDCNLKSA-N 0 3 246.376 0.621 20 0 BCADHN CC[C@@H](C)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452374888 387812501 /nfs/dbraw/zinc/81/25/01/387812501.db2.gz LIYTURHHBSRVOE-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H]1CCCN1C(=O)CNC[C@@H]1CCCO1 ZINC000157335901 387785737 /nfs/dbraw/zinc/78/57/37/387785737.db2.gz FTASBUGWLMVAAA-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN CCn1nncc1CN[C@H]1CCOC[C@H]1C ZINC000527914142 387786724 /nfs/dbraw/zinc/78/67/24/387786724.db2.gz JCTLPPTUGJKZLU-KOLCDFICSA-N 0 3 224.308 0.813 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H]1CCc2nccn2C1 ZINC000378498644 387787475 /nfs/dbraw/zinc/78/74/75/387787475.db2.gz QFQUFRAEAIRMCD-UWVGGRQHSA-N 0 3 236.319 0.442 20 0 BCADHN CCn1nncc1CN[C@@H](C)[C@H](C)OC ZINC000527918850 387787565 /nfs/dbraw/zinc/78/75/65/387787565.db2.gz FBJNYPAZLVBUTJ-IUCAKERBSA-N 0 3 212.297 0.811 20 0 BCADHN CC[C@H](CO)N(C)C(=O)CN(C)C(C)C ZINC000452283547 387787810 /nfs/dbraw/zinc/78/78/10/387787810.db2.gz MBNRJKNUTGGNHY-SNVBAGLBSA-N 0 3 216.325 0.556 20 0 BCADHN CCO[C@H](CCNC(=O)[C@@H]1C[C@@H]1N)C(C)C ZINC000424149591 387789563 /nfs/dbraw/zinc/78/95/63/387789563.db2.gz HJANRVHZEASXHK-OUAUKWLOSA-N 0 3 228.336 0.901 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NC[C@@](C)(O)CC ZINC000422980472 387792446 /nfs/dbraw/zinc/79/24/46/387792446.db2.gz PSWLPWSDXAYBMF-FOGDFJRCSA-N 0 3 244.335 0.031 20 0 BCADHN COC[C@@H](NC(=O)N(C)CCN(C)C)C1CC1 ZINC000442287306 387792985 /nfs/dbraw/zinc/79/29/85/387792985.db2.gz AVTPTGHUNYGXTP-LLVKDONJSA-N 0 3 243.351 0.614 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@H](CC)CCO ZINC000422982693 387792892 /nfs/dbraw/zinc/79/28/92/387792892.db2.gz XOFDYANXRYIXPS-GMTAPVOTSA-N 0 3 244.335 0.031 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@@H](CC)CCO ZINC000422982692 387793482 /nfs/dbraw/zinc/79/34/82/387793482.db2.gz XOFDYANXRYIXPS-GARJFASQSA-N 0 3 244.335 0.031 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000050456598 387794023 /nfs/dbraw/zinc/79/40/23/387794023.db2.gz OYQDBIVSTLIBTD-VHSXEESVSA-N 0 3 208.236 0.789 20 0 BCADHN COC[C@H](C)CC(=O)NC[C@@H](C)N(C)C ZINC000445517884 387796831 /nfs/dbraw/zinc/79/68/31/387796831.db2.gz IKPQNSZFCXTWON-NXEZZACHSA-N 0 3 216.325 0.725 20 0 BCADHN CCSCCN[C@@H]1C(=O)NCC[C@H]1C ZINC000193610503 387797071 /nfs/dbraw/zinc/79/70/71/387797071.db2.gz MKOQJMSYQOILGR-BDAKNGLRSA-N 0 3 216.350 0.854 20 0 BCADHN CCSCCN[C@H]1C(=O)NCC[C@H]1C ZINC000193610487 387797582 /nfs/dbraw/zinc/79/75/82/387797582.db2.gz MKOQJMSYQOILGR-RKDXNWHRSA-N 0 3 216.350 0.854 20 0 BCADHN CCOC(=O)CCCN[C@@H]1C(=O)NCC[C@H]1C ZINC000193608880 387797689 /nfs/dbraw/zinc/79/76/89/387797689.db2.gz IVIXLUDUIOBRPV-KOLCDFICSA-N 0 3 242.319 0.444 20 0 BCADHN Cn1nncc1CNCCCOC(F)F ZINC000193666249 387802000 /nfs/dbraw/zinc/80/20/00/387802000.db2.gz WVTWHSWIOJNLIO-UHFFFAOYSA-N 0 3 220.223 0.534 20 0 BCADHN CCO[C@@]1(C)C[C@H]1N[C@H]1CCCS(=O)(=O)C1 ZINC000527974436 387813312 /nfs/dbraw/zinc/81/33/12/387813312.db2.gz NPWRPEKRRBOBKW-AXFHLTTASA-N 0 3 247.360 0.721 20 0 BCADHN CC[C@H](C)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452349359 387808119 /nfs/dbraw/zinc/80/81/19/387808119.db2.gz MMTQMVIBTLKHHE-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C(=O)NCCCO)N(CC)CC ZINC000432694138 387809160 /nfs/dbraw/zinc/80/91/60/387809160.db2.gz FNWGUOKUUHSEFN-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN CCN(CC)CC(=O)NCC[C@@](C)(O)COC ZINC000452368384 387809636 /nfs/dbraw/zinc/80/96/36/387809636.db2.gz XLVNEELXQBAXMV-GFCCVEGCSA-N 0 3 246.351 0.232 20 0 BCADHN COC[C@@H](NC[C@@H](O)C(F)(F)F)C1CC1 ZINC000151237413 387810661 /nfs/dbraw/zinc/81/06/61/387810661.db2.gz HMNWWSYBZNLFIG-HTQZYQBOSA-N 0 3 227.226 0.924 20 0 BCADHN COC[C@@](C)(O)CN[C@H](C)c1cnn(C)c1 ZINC000309501486 387810621 /nfs/dbraw/zinc/81/06/21/387810621.db2.gz ZVRQRDRUCUDSJC-KOLCDFICSA-N 0 3 227.308 0.468 20 0 BCADHN CC1(C(=O)NC[C@@H]2CCCN2CCCO)CC1 ZINC000452377158 387811127 /nfs/dbraw/zinc/81/11/27/387811127.db2.gz ZPILPXXMEZIILY-NSHDSACASA-N 0 3 240.347 0.750 20 0 BCADHN C[C@H](Cc1cnccn1)N[C@H]1CCCN(C)C1=O ZINC000527964981 387811089 /nfs/dbraw/zinc/81/10/89/387811089.db2.gz WBSVRRDTIXFEFG-PWSUYJOCSA-N 0 3 248.330 0.618 20 0 BCADHN CCOCC1(C(=O)N(C)CCN(C)C)CC1 ZINC000442689411 387822513 /nfs/dbraw/zinc/82/25/13/387822513.db2.gz OLJOVHUARCZHBT-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN CC(C)[C@@H](O)CN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000432797002 387822525 /nfs/dbraw/zinc/82/25/25/387822525.db2.gz JOCXZCUFBDXRDM-AVGNSLFASA-N 0 3 244.379 0.390 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](C)OC ZINC000442693688 387823607 /nfs/dbraw/zinc/82/36/07/387823607.db2.gz KNKQZCCHDSBIHH-SECBINFHSA-N 0 3 202.298 0.479 20 0 BCADHN CN(C)CCNC(=O)c1ccncc1F ZINC000157779481 387873055 /nfs/dbraw/zinc/87/30/55/387873055.db2.gz WIHQTSBTRHCVFP-UHFFFAOYSA-N 0 3 211.240 0.512 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](C)CCCO ZINC000452442614 387826546 /nfs/dbraw/zinc/82/65/46/387826546.db2.gz NXBQFOVNZCIABJ-NSHDSACASA-N 0 3 230.352 0.853 20 0 BCADHN CC[C@H](C(=O)NC[C@H](C)CCCO)N(C)C ZINC000452441391 387826557 /nfs/dbraw/zinc/82/65/57/387826557.db2.gz LQWBBBCWSYLBTI-GHMZBOCLSA-N 0 3 230.352 0.851 20 0 BCADHN CC(C)C[C@H](CNCc1cn(C)nn1)N(C)C ZINC000054859038 387830639 /nfs/dbraw/zinc/83/06/39/387830639.db2.gz YLKXFJXBASAXNH-GFCCVEGCSA-N 0 3 239.367 0.881 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)NC[C@H](C)N(C)C ZINC000459034412 387834109 /nfs/dbraw/zinc/83/41/09/387834109.db2.gz CYUZJXNEFOYQHL-QWRGUYRKSA-N 0 3 245.367 0.643 20 0 BCADHN CCCCCN(CC(N)=O)C[C@@H](O)C(C)C ZINC000432863114 387834175 /nfs/dbraw/zinc/83/41/75/387834175.db2.gz HWBANOHRSONNSJ-LLVKDONJSA-N 0 3 230.352 0.981 20 0 BCADHN CC(C)[C@H](O)CN(C)[C@@]1(CO)CCOC1 ZINC000432868700 387836137 /nfs/dbraw/zinc/83/61/37/387836137.db2.gz WVLYGQYFFPNXJK-GHMZBOCLSA-N 0 3 217.309 0.087 20 0 BCADHN CN(CC(F)F)C(=O)[C@H]1CCCCN1 ZINC000157558153 387840028 /nfs/dbraw/zinc/84/00/28/387840028.db2.gz IETSTHQLWKWXHL-SSDOTTSWSA-N 0 3 206.236 0.852 20 0 BCADHN CC(C)[C@H](O)CN1CCCC[C@H]1C(N)=O ZINC000432924969 387840662 /nfs/dbraw/zinc/84/06/62/387840662.db2.gz PLIYXHZILVUWSP-VHSXEESVSA-N 0 3 214.309 0.343 20 0 BCADHN C[C@H](CO)N1CCCN(Cc2cocn2)CC1 ZINC000432919514 387841417 /nfs/dbraw/zinc/84/14/17/387841417.db2.gz UGLRINKBDZDSGQ-LLVKDONJSA-N 0 3 239.319 0.563 20 0 BCADHN CN(C)CCNC(=O)Cc1ccccc1N ZINC000020186262 387842514 /nfs/dbraw/zinc/84/25/14/387842514.db2.gz MQUVQVLOZAWLJX-UHFFFAOYSA-N 0 3 221.304 0.489 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCCCNc1ccccn1 ZINC000424162531 387844909 /nfs/dbraw/zinc/84/49/09/387844909.db2.gz XCDINVTYTQEOTK-WDEREUQCSA-N 0 3 248.330 0.737 20 0 BCADHN CCC(=O)N[C@H]1CCCN(C[C@H](O)C(C)C)C1 ZINC000432942995 387846498 /nfs/dbraw/zinc/84/64/98/387846498.db2.gz FGCYIMRHVWTYGZ-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CN1CC[C@@H](CNC(=O)c2cnn(C3CC3)c2)C1 ZINC000528111462 387848463 /nfs/dbraw/zinc/84/84/63/387848463.db2.gz CFRMITAWFKNUEQ-JTQLQIEISA-N 0 3 248.330 0.900 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000424164898 387849079 /nfs/dbraw/zinc/84/90/79/387849079.db2.gz AKXKCUTWCYODRO-KXNHARMFSA-N 0 3 240.347 0.781 20 0 BCADHN CC(C)Cn1nccc1NC(=O)[C@H](C)N ZINC000151544781 387850773 /nfs/dbraw/zinc/85/07/73/387850773.db2.gz FAWNQKMXNNMTHV-QMMMGPOBSA-N 0 3 210.281 0.825 20 0 BCADHN COc1cc(C)cc(CNC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000424165316 387852574 /nfs/dbraw/zinc/85/25/74/387852574.db2.gz AVBMMLRTJQZLOI-NEPJUHHUSA-N 0 3 234.299 0.967 20 0 BCADHN C[C@@H](CNC(=O)C1CN(CC(F)F)C1)N(C)C ZINC000448678049 387853115 /nfs/dbraw/zinc/85/31/15/387853115.db2.gz RFSUQZCGFXDPLW-QMMMGPOBSA-N 0 3 249.305 0.250 20 0 BCADHN CCNS(=O)(=O)NC[C@@H](C)N(CC)CC ZINC000062347979 387853148 /nfs/dbraw/zinc/85/31/48/387853148.db2.gz ZXKCQAUKWKKKAX-SECBINFHSA-N 0 3 237.369 0.161 20 0 BCADHN C[C@@H](O)CCN(C)Cc1ccc(C(N)=O)cc1 ZINC000075781308 387853550 /nfs/dbraw/zinc/85/35/50/387853550.db2.gz UHFXQTYBPLJAMA-SNVBAGLBSA-N 0 3 236.315 0.988 20 0 BCADHN CN(C)c1cccc(NC(=O)[C@@H]2C[C@@H]2N)n1 ZINC000424168598 387859157 /nfs/dbraw/zinc/85/91/57/387859157.db2.gz GDNJLDLAHITIFO-SFYZADRCSA-N 0 3 220.276 0.433 20 0 BCADHN C[C@H](c1cccnc1)N(C)C(=O)[C@@H]1C[C@@H]1N ZINC000424170431 387861463 /nfs/dbraw/zinc/86/14/63/387861463.db2.gz AYNNDACYCWFGEN-IEBDPFPHSA-N 0 3 219.288 0.948 20 0 BCADHN COCCCCNC(=O)CNC[C@@H]1CCCO1 ZINC000151592501 387861941 /nfs/dbraw/zinc/86/19/41/387861941.db2.gz LTLMYHVRKMKJEA-NSHDSACASA-N 0 3 244.335 0.298 20 0 BCADHN Cc1noc(C)c1[C@@H](C)CNC(=O)[C@@H]1C[C@@H]1N ZINC000424169997 387864551 /nfs/dbraw/zinc/86/45/51/387864551.db2.gz ILUSPAAFSBWEPW-QUNWWBBNSA-N 0 3 237.303 0.858 20 0 BCADHN CC[C@@H](CNS(C)(=O)=O)NC1CSC1 ZINC000648711273 387864623 /nfs/dbraw/zinc/86/46/23/387864623.db2.gz GELRMMRQKIMQGB-ZETCQYMHSA-N 0 3 238.378 0.019 20 0 BCADHN CCOC[C@H](C)N[C@@H]1CCN[C@@H]1C(=O)OCC ZINC000423061148 387865142 /nfs/dbraw/zinc/86/51/42/387865142.db2.gz JYAORQLIXDYXHP-AXFHLTTASA-N 0 3 244.335 0.295 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@@H](C)C1CC1 ZINC000151637335 387869513 /nfs/dbraw/zinc/86/95/13/387869513.db2.gz IANUOVUVKRVIDL-IONNQARKSA-N 0 3 216.350 0.982 20 0 BCADHN Cc1ccoc1CNC[C@@H]1CN(C)CCN1C ZINC000135182605 387814302 /nfs/dbraw/zinc/81/43/02/387814302.db2.gz DTLGADNMBALMNZ-GFCCVEGCSA-N 0 3 237.347 0.923 20 0 BCADHN COC[C@@](C)(CC(=O)OC)NC[C@@H](O)C(C)C ZINC000432781891 387817708 /nfs/dbraw/zinc/81/77/08/387817708.db2.gz QFNOAFCKDUHXNO-ZYHUDNBSSA-N 0 3 247.335 0.561 20 0 BCADHN CCN(CCc1nccs1)C(=O)[C@@H]1C[C@@H]1N ZINC000424178262 387889669 /nfs/dbraw/zinc/88/96/69/387889669.db2.gz WINZOKHVRBOFMJ-BDAKNGLRSA-N 0 3 239.344 0.881 20 0 BCADHN CCOCC[C@@H](O)CN1CCC[C@H](OC)C1 ZINC000444611543 387890420 /nfs/dbraw/zinc/89/04/20/387890420.db2.gz QPPROHZARIJHFP-NEPJUHHUSA-N 0 3 231.336 0.885 20 0 BCADHN CC(C)NC(=O)NCCN1CCCC[C@H]1CO ZINC000645776641 387898986 /nfs/dbraw/zinc/89/89/86/387898986.db2.gz HJIAWNFUFUAQLF-NSHDSACASA-N 0 3 243.351 0.541 20 0 BCADHN NCC(=O)NC[C@@H](O)C1CCCCC1 ZINC000154409921 387897563 /nfs/dbraw/zinc/89/75/63/387897563.db2.gz ZCPADSFSIYUJKF-SECBINFHSA-N 0 3 200.282 0.003 20 0 BCADHN COCCCN1CCN(C[C@@H](C)O)CC1 ZINC000444648173 387898169 /nfs/dbraw/zinc/89/81/69/387898169.db2.gz GMSWBFXZVQDTMI-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN CN(C)C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645855998 387876446 /nfs/dbraw/zinc/87/64/46/387876446.db2.gz DTYUHEYODMCAJE-UHFFFAOYSA-N 0 3 241.335 0.465 20 0 BCADHN CC/C=C\CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000452616676 387878744 /nfs/dbraw/zinc/87/87/44/387878744.db2.gz WDOVCENUEIKJBS-MVZIDQBPSA-N 0 3 237.347 0.459 20 0 BCADHN CC[C@@H](C)C(=O)NC[C@](C)(O)CN(C)C ZINC000152494964 387883339 /nfs/dbraw/zinc/88/33/39/387883339.db2.gz ZIQNJCRZCJUGMW-KOLCDFICSA-N 0 3 216.325 0.461 20 0 BCADHN NC(=O)CCN(C(=O)[C@H]1CCN1)c1ccccc1 ZINC000444155494 387885166 /nfs/dbraw/zinc/88/51/66/387885166.db2.gz IYBPEKYOCYHFAT-LLVKDONJSA-N 0 3 247.298 0.257 20 0 BCADHN CC(C)[C@H]1CCCN1C(=O)C(=O)N(C)CCN ZINC000423094953 387885516 /nfs/dbraw/zinc/88/55/16/387885516.db2.gz LBMVXCQFYJBWIJ-SNVBAGLBSA-N 0 3 241.335 0.051 20 0 BCADHN CC(C)CC(=O)NC[C@](C)(O)CN(C)C ZINC000152724254 387886152 /nfs/dbraw/zinc/88/61/52/387886152.db2.gz PJSBQNQXTLBQEN-NSHDSACASA-N 0 3 216.325 0.461 20 0 BCADHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)N1CCCC1 ZINC000236391409 387889453 /nfs/dbraw/zinc/88/94/53/387889453.db2.gz AUXBLROZNCODHD-WCQYABFASA-N 0 3 238.331 0.766 20 0 BCADHN C[C@H](C(=O)N1CCN2CCC[C@@H]2C1)n1cncn1 ZINC000195328475 387919140 /nfs/dbraw/zinc/91/91/40/387919140.db2.gz APFOBOOOVJWLGF-GHMZBOCLSA-N 0 3 249.318 0.146 20 0 BCADHN CCN1CCN(C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528344870 387903490 /nfs/dbraw/zinc/90/34/90/387903490.db2.gz MOYAPJGHQXWQHR-LBPRGKRZSA-N 0 3 242.363 0.290 20 0 BCADHN CN1CCCN(C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528347275 387905702 /nfs/dbraw/zinc/90/57/02/387905702.db2.gz YEPYOORKTHPKLV-LBPRGKRZSA-N 0 3 242.363 0.290 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000236806775 387908842 /nfs/dbraw/zinc/90/88/42/387908842.db2.gz JVEMUMKLHWKTOK-WDEREUQCSA-N 0 3 241.335 0.241 20 0 BCADHN O=C(Nc1ccc2c(c1)CNC2)[C@@H]1COCCN1 ZINC000424188011 387908971 /nfs/dbraw/zinc/90/89/71/387908971.db2.gz JDSVDEFBOOVHNX-LBPRGKRZSA-N 0 3 247.298 0.217 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCN(C2CC2)CC1 ZINC000645786675 387910457 /nfs/dbraw/zinc/91/04/57/387910457.db2.gz RNEIIAICJFXXRW-LLVKDONJSA-N 0 3 237.347 0.291 20 0 BCADHN COc1ccnc(CN[C@@H]2CN(C)C[C@@H]2C)n1 ZINC000424190358 387912947 /nfs/dbraw/zinc/91/29/47/387912947.db2.gz NZYFKKDFLLZVBW-VHSXEESVSA-N 0 3 236.319 0.525 20 0 BCADHN COc1ccnc(CNCc2cn[nH]c2C)n1 ZINC000424189518 387912982 /nfs/dbraw/zinc/91/29/82/387912982.db2.gz MGPDYJFGPRYNMJ-UHFFFAOYSA-N 0 3 233.275 0.807 20 0 BCADHN CCOCCOCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000236908729 387914129 /nfs/dbraw/zinc/91/41/29/387914129.db2.gz GNHJDMOXDIANSF-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)CC(=O)OC ZINC000237092263 387916207 /nfs/dbraw/zinc/91/62/07/387916207.db2.gz YDNAVXWMPAHMRS-OYNCUSHFSA-N 0 3 230.308 0.428 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@@]1(C)CCCCN1 ZINC000237072327 387916773 /nfs/dbraw/zinc/91/67/73/387916773.db2.gz PQPAUMNZCVPNEQ-JOYOIKCWSA-N 0 3 242.319 0.444 20 0 BCADHN COC(=O)N(C)CCCC(=O)NCCN(C)C ZINC000105315293 387916980 /nfs/dbraw/zinc/91/69/80/387916980.db2.gz KLDZLJPNHJLKNS-UHFFFAOYSA-N 0 3 245.323 0.143 20 0 BCADHN NCC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000237970179 387929323 /nfs/dbraw/zinc/92/93/23/387929323.db2.gz JEYKSLKHRXBSEG-UHFFFAOYSA-N 0 3 244.298 0.490 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)CC1(CO)CC1)N(C)C ZINC000438486488 387936378 /nfs/dbraw/zinc/93/63/78/387936378.db2.gz HEBBGMWLEXPEDS-NSHDSACASA-N 0 3 242.363 0.804 20 0 BCADHN COC(C)(C)CN(C)[C@@H]1CCNC1=O ZINC000533020275 387920057 /nfs/dbraw/zinc/92/00/57/387920057.db2.gz VYXFEHHWBGMPOQ-MRVPVSSYSA-N 0 3 200.282 0.232 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CCC[C@@H](F)C1 ZINC000424196539 387922477 /nfs/dbraw/zinc/92/24/77/387922477.db2.gz MZRCUZXECHTPRO-MXWKQRLJSA-N 0 3 244.310 0.619 20 0 BCADHN COC(=O)CNC(=O)CN(CC1CC1)C(C)C ZINC000533036399 387925018 /nfs/dbraw/zinc/92/50/18/387925018.db2.gz DJSVOLZMVOOKKO-UHFFFAOYSA-N 0 3 242.319 0.396 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@@]1(C)CCCCN1 ZINC000237202316 387925330 /nfs/dbraw/zinc/92/53/30/387925330.db2.gz DZYHNYRRNJZSJU-BXKDBHETSA-N 0 3 242.319 0.586 20 0 BCADHN C[NH2+]CC(=O)NCc1cccc(-c2nnc[n-]2)c1 ZINC000237248228 387925821 /nfs/dbraw/zinc/92/58/21/387925821.db2.gz YUIQCNHEUTXNHC-UHFFFAOYSA-N 0 3 245.286 0.307 20 0 BCADHN CNCC(=O)NCc1cccc(-c2nc[nH]n2)c1 ZINC000237248228 387925825 /nfs/dbraw/zinc/92/58/25/387925825.db2.gz YUIQCNHEUTXNHC-UHFFFAOYSA-N 0 3 245.286 0.307 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)CN)CN1Cc1ccccc1 ZINC000178831629 387926139 /nfs/dbraw/zinc/92/61/39/387926139.db2.gz QYWSQJFQXSKTNP-YPMHNXCESA-N 0 3 247.342 0.724 20 0 BCADHN C[C@H]1CN(C(=O)CNC[C@H]2CCCO2)CCO1 ZINC000237598836 387926387 /nfs/dbraw/zinc/92/63/87/387926387.db2.gz SXAVFFAXRUHMAV-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN Cn1ccnc1-c1cccc(NC(=O)CN)c1 ZINC000237915288 387928876 /nfs/dbraw/zinc/92/88/76/387928876.db2.gz GZIRNYNZCGDVGM-UHFFFAOYSA-N 0 3 230.271 0.984 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@H](CO)C1 ZINC000645807549 387953971 /nfs/dbraw/zinc/95/39/71/387953971.db2.gz LISFJHZPQRQAHT-JTQLQIEISA-N 0 3 229.324 0.008 20 0 BCADHN CN(C(=O)CNC[C@@H]1CCCO1)[C@@H]1CCOC1 ZINC000156206775 387939195 /nfs/dbraw/zinc/93/91/95/387939195.db2.gz AKVNOSMYOFRSSK-MNOVXSKESA-N 0 3 242.319 0.002 20 0 BCADHN CCN1CCN(CCC(=O)NCC(C)C)CC1 ZINC000243629614 387939721 /nfs/dbraw/zinc/93/97/21/387939721.db2.gz OZBJLRLQQMTYQN-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN CN(CC1(CO)CC1)C(=O)C1CCN(C)CC1 ZINC000438497329 387940001 /nfs/dbraw/zinc/94/00/01/387940001.db2.gz KPTQTXWQLKQPIU-UHFFFAOYSA-N 0 3 240.347 0.559 20 0 BCADHN Cc1cc(CN)cc(NC(=O)CC(N)=O)c1 ZINC000424230668 387941352 /nfs/dbraw/zinc/94/13/52/387941352.db2.gz BHAVCURVTSAPIJ-UHFFFAOYSA-N 0 3 221.260 0.268 20 0 BCADHN Cc1cc(CN)cc(NC(=O)c2cnnn2C)c1 ZINC000424239065 387942385 /nfs/dbraw/zinc/94/23/85/387942385.db2.gz LIDTVTCTNBCYJR-UHFFFAOYSA-N 0 3 245.286 0.835 20 0 BCADHN c1cn2c(n1)C[C@H](NCc1cc[nH]n1)CC2 ZINC000309621243 387942544 /nfs/dbraw/zinc/94/25/44/387942544.db2.gz PCRZMVZEFKAJHZ-SECBINFHSA-N 0 3 217.276 0.711 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@@H]1NC1(CC)CC1 ZINC000423161470 387942598 /nfs/dbraw/zinc/94/25/98/387942598.db2.gz RXJKDPWWPHDQHX-UWVGGRQHSA-N 0 3 226.320 0.812 20 0 BCADHN CC[C@@H]1[C@@H](CO)CCN1C(=O)CN(C)C(C)C ZINC000452963978 387946246 /nfs/dbraw/zinc/94/62/46/387946246.db2.gz UNXKINJZSWXADA-VXGBXAGGSA-N 0 3 242.363 0.946 20 0 BCADHN CCNC(=O)CN[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000459470350 387946815 /nfs/dbraw/zinc/94/68/15/387946815.db2.gz RZRFYFUFRJUWKP-KKZNHRDASA-N 0 3 246.376 0.621 20 0 BCADHN CC[C@@H](C)[C@@H](C)NC(=O)C(=O)N[C@H](C)CN ZINC000418923371 387948234 /nfs/dbraw/zinc/94/82/34/387948234.db2.gz MBNVBOOGLTWJTM-IWSPIJDZSA-N 0 3 229.324 0.001 20 0 BCADHN C[C@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452977407 387949494 /nfs/dbraw/zinc/94/94/94/387949494.db2.gz QLJHGQZPCKWWKP-NOOOWODRSA-N 0 3 238.331 0.574 20 0 BCADHN Cc1occc1CNCCCNS(C)(=O)=O ZINC000321126365 387950247 /nfs/dbraw/zinc/95/02/47/387950247.db2.gz WOHICKGFIYJFTK-UHFFFAOYSA-N 0 3 246.332 0.617 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452977406 387950321 /nfs/dbraw/zinc/95/03/21/387950321.db2.gz QLJHGQZPCKWWKP-NNYUYHANSA-N 0 3 238.331 0.574 20 0 BCADHN C[C@H](N)C(=O)NC1CCN(CC(F)F)CC1 ZINC000645805432 387950621 /nfs/dbraw/zinc/95/06/21/387950621.db2.gz JOYXWROLJMTESU-ZETCQYMHSA-N 0 3 235.278 0.179 20 0 BCADHN CCNC(=O)[C@@H](C)NC[C@@](C)(CC)OC ZINC000322647017 387951698 /nfs/dbraw/zinc/95/16/98/387951698.db2.gz VXVXODYEOYRRKF-MWLCHTKSSA-N 0 3 216.325 0.916 20 0 BCADHN CC(C)CN(CC[C@@H](C)O)CC(N)=O ZINC000438988495 387972256 /nfs/dbraw/zinc/97/22/56/387972256.db2.gz WSDGAOYMBQEGEM-SECBINFHSA-N 0 3 202.298 0.201 20 0 BCADHN COC(=O)C[C@H]1CSCCN1CC[C@H](C)O ZINC000438989809 387972282 /nfs/dbraw/zinc/97/22/82/387972282.db2.gz VQMXZUJPFDLXEF-UWVGGRQHSA-N 0 3 247.360 0.738 20 0 BCADHN C[C@@H](O)CCN1CCC[C@@H]1C(=O)NC1CC1 ZINC000438990303 387971445 /nfs/dbraw/zinc/97/14/45/387971445.db2.gz IHGVDLXFOHTZRL-MWLCHTKSSA-N 0 3 226.320 0.500 20 0 BCADHN COC(=O)[C@H](O)C1CCN(CC[C@H](C)O)CC1 ZINC000438993919 387971594 /nfs/dbraw/zinc/97/15/94/387971594.db2.gz XKNUZZFQWLEMCZ-GXSJLCMTSA-N 0 3 245.319 0.003 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000423186104 387971592 /nfs/dbraw/zinc/97/15/92/387971592.db2.gz WJLNCSZIRNYFAO-NNYUYHANSA-N 0 3 242.363 0.898 20 0 BCADHN CCNC(=O)CN[C@@H](C)CCn1cccn1 ZINC000158573127 387957696 /nfs/dbraw/zinc/95/76/96/387957696.db2.gz CAHBZGWVZWCAPI-JTQLQIEISA-N 0 3 224.308 0.387 20 0 BCADHN O=C(C[C@@H]1CNCCO1)Nc1ccc[nH]c1=O ZINC000645809780 387957796 /nfs/dbraw/zinc/95/77/96/387957796.db2.gz JXMZPOKYVBKXIU-MRVPVSSYSA-N 0 3 237.259 0.104 20 0 BCADHN CC[C@H](CO)NC(=O)NCC1(N(C)C)CCC1 ZINC000445869713 387976124 /nfs/dbraw/zinc/97/61/24/387976124.db2.gz SNAKYLJJHLHGNF-SNVBAGLBSA-N 0 3 243.351 0.541 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H](O)C1 ZINC000439264980 387987805 /nfs/dbraw/zinc/98/78/05/387987805.db2.gz IRZOSZZPZPFHCQ-UTUOFQBUSA-N 0 3 240.347 0.748 20 0 BCADHN COC[C@H]1CN(CCC(C)(C)O)C[C@@H](C)O1 ZINC000439285882 387992789 /nfs/dbraw/zinc/99/27/89/387992789.db2.gz PSISGJDATKTVNP-GHMZBOCLSA-N 0 3 231.336 0.883 20 0 BCADHN CCC[C@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000045763881 387994873 /nfs/dbraw/zinc/99/48/73/387994873.db2.gz AKINQJXEJCTKKH-JGVFFNPUSA-N 0 3 221.322 0.724 20 0 BCADHN COC[C@@H](O)CN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446081301 387998315 /nfs/dbraw/zinc/99/83/15/387998315.db2.gz NFVWZVUIQJVEQF-NAKRPEOUSA-N 0 3 217.309 0.491 20 0 BCADHN O=C(Nc1cnn(-c2ccncc2)c1)[C@H]1CCN1 ZINC000645889545 388006151 /nfs/dbraw/zinc/00/61/51/388006151.db2.gz NOKSCCWHXKQOBC-LLVKDONJSA-N 0 3 243.270 0.568 20 0 BCADHN CCCNC(=O)[C@H](C)N(C)C[C@H](C)C(=O)NC ZINC000246101537 388009214 /nfs/dbraw/zinc/00/92/14/388009214.db2.gz BBBHRIAXJKGPNN-UWVGGRQHSA-N 0 3 243.351 0.215 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000446263650 388009402 /nfs/dbraw/zinc/00/94/02/388009402.db2.gz BELSAAQQLMRORB-IVZWLZJFSA-N 0 3 232.299 0.354 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCCS1 ZINC000439408398 387996390 /nfs/dbraw/zinc/99/63/90/387996390.db2.gz GFZQHCMMYFOFDY-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)NCCN(C)C)CO1 ZINC000645892528 388024108 /nfs/dbraw/zinc/02/41/08/388024108.db2.gz XTNBJOHNKSGPIT-BDAKNGLRSA-N 0 3 215.297 0.025 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N[C@H](C)[C@@H](C)CO ZINC000252964749 135118892 /nfs/dbraw/zinc/11/88/92/135118892.db2.gz WTJJNDKCRBUHBC-MMWGEVLESA-N 0 3 230.352 0.896 20 0 BCADHN CC[C@@H](C)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246137386 388014139 /nfs/dbraw/zinc/01/41/39/388014139.db2.gz AORGPDSTKVZEBW-NXEZZACHSA-N 0 3 234.365 0.656 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)CCCO ZINC000087360040 135125410 /nfs/dbraw/zinc/12/54/10/135125410.db2.gz IYNBWKNRNPSADW-GUBZILKMSA-N 0 3 216.325 0.637 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC000246181614 388017190 /nfs/dbraw/zinc/01/71/90/388017190.db2.gz JLRDDYGRLBQVGF-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN Cc1nnc(NC(=O)[C@]2(F)CCNC2)s1 ZINC000150699723 388019680 /nfs/dbraw/zinc/01/96/80/388019680.db2.gz GYYYJQNSXHPUJG-QMMMGPOBSA-N 0 3 230.268 0.487 20 0 BCADHN CC(=O)[C@@](C)(O)CN(C)CCN1CCCC1 ZINC000450399483 388032763 /nfs/dbraw/zinc/03/27/63/388032763.db2.gz ACKWECLRTILZRN-LBPRGKRZSA-N 0 3 228.336 0.354 20 0 BCADHN COC(=O)CNC(=O)CN1CC[C@H](C(C)C)C1 ZINC000446721591 388033998 /nfs/dbraw/zinc/03/39/98/388033998.db2.gz VRUMVUBBGFSICM-JTQLQIEISA-N 0 3 242.319 0.254 20 0 BCADHN CN(C(=O)c1ccc[nH]c1=O)C1CCN(C)CC1 ZINC000586736665 388037277 /nfs/dbraw/zinc/03/72/77/388037277.db2.gz HCHKNLFRVCZGNZ-UHFFFAOYSA-N 0 3 249.314 0.953 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)NCCNc2ccncc2)CO1 ZINC000440310776 388038950 /nfs/dbraw/zinc/03/89/50/388038950.db2.gz YPYXDCKZQJSAKJ-GHMZBOCLSA-N 0 3 249.314 0.457 20 0 BCADHN CCCN(CC)CC(=O)NCCOCC ZINC000440358738 388040600 /nfs/dbraw/zinc/04/06/00/388040600.db2.gz OBJHJIKDSDBIML-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN CC[C@H](F)CN1CC[C@@](C)(C(N)=O)C1 ZINC000440502895 388044570 /nfs/dbraw/zinc/04/45/70/388044570.db2.gz SNIXUUWEUCXJHT-WCBMZHEXSA-N 0 3 202.273 0.932 20 0 BCADHN CO[C@]1(CNCc2cc[nH]c2)CCOC1 ZINC000156862726 388042919 /nfs/dbraw/zinc/04/29/19/388042919.db2.gz YEHFCQYIJQXUNN-NSHDSACASA-N 0 3 210.277 0.910 20 0 BCADHN CC1(C)[C@H](NCCS(C)(=O)=O)[C@@H]2CCO[C@@H]21 ZINC000082944214 388043172 /nfs/dbraw/zinc/04/31/72/388043172.db2.gz AXYKHFXUEGYCRE-AEJSXWLSSA-N 0 3 247.360 0.434 20 0 BCADHN COC(=O)N[C@H](C(=O)NCCN(C)C)C(C)C ZINC000108462692 388030689 /nfs/dbraw/zinc/03/06/89/388030689.db2.gz LIYWYAGJIYFUAO-VIFPVBQESA-N 0 3 245.323 0.045 20 0 BCADHN COC[C@H](N[C@H]1CCCCNC1=O)C(C)C ZINC000083409827 388051940 /nfs/dbraw/zinc/05/19/40/388051940.db2.gz DCHHOVXPWDBCIV-QWRGUYRKSA-N 0 3 228.336 0.916 20 0 BCADHN CNCC(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000440576649 388055619 /nfs/dbraw/zinc/05/56/19/388055619.db2.gz RKJZQXPMCZVYEN-QWRGUYRKSA-N 0 3 228.336 0.653 20 0 BCADHN CNCC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000440581460 388057027 /nfs/dbraw/zinc/05/70/27/388057027.db2.gz XYXDAHRWLFPMHX-SNVBAGLBSA-N 0 3 247.298 0.448 20 0 BCADHN CN1CC[C@@H](NC(=O)OCC(F)(F)F)C1 ZINC000108881146 388062479 /nfs/dbraw/zinc/06/24/79/388062479.db2.gz FPLJFSDLKLYQHT-ZCFIWIBFSA-N 0 3 226.198 0.979 20 0 BCADHN COc1cccc2c1OCC[C@@H]2NC(=O)CN ZINC000083932929 388066259 /nfs/dbraw/zinc/06/62/59/388066259.db2.gz MJZBZAFIWMMCEL-VIFPVBQESA-N 0 3 236.271 0.594 20 0 BCADHN CNCC(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000083932071 388066860 /nfs/dbraw/zinc/06/68/60/388066860.db2.gz WVKQBHDSLANARN-JTQLQIEISA-N 0 3 238.262 0.985 20 0 BCADHN COCCN(C)CC1(CC(=O)OC)CC1 ZINC000440699743 388068832 /nfs/dbraw/zinc/06/88/32/388068832.db2.gz UOOIEAANOWWQGZ-UHFFFAOYSA-N 0 3 215.293 0.908 20 0 BCADHN CC[C@@H](F)CN1CCO[C@@H](CN(C)C)C1 ZINC000440696569 388068970 /nfs/dbraw/zinc/06/89/70/388068970.db2.gz JGMCIYIPSQTWKG-MNOVXSKESA-N 0 3 218.316 0.997 20 0 BCADHN COCCO[C@@H]1C[C@H](CO)CN(CCCF)C1 ZINC000447399404 388069573 /nfs/dbraw/zinc/06/95/73/388069573.db2.gz XNYSNJZFUXDEMF-NWDGAFQWSA-N 0 3 249.326 0.692 20 0 BCADHN O=S(=O)(NC1CNC1)c1ccc(F)c(F)c1 ZINC000085256524 388085854 /nfs/dbraw/zinc/08/58/54/388085854.db2.gz RCSSJCVOQQBMCT-UHFFFAOYSA-N 0 3 248.254 0.215 20 0 BCADHN CCN(C[C@H]1CCCO1)[C@@H]1COC[C@H]1O ZINC000463083210 388086748 /nfs/dbraw/zinc/08/67/48/388086748.db2.gz QKIQZSNQDMUMEM-GMTAPVOTSA-N 0 3 215.293 0.247 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000453590316 388087074 /nfs/dbraw/zinc/08/70/74/388087074.db2.gz XZSGJPGYEBAMEM-ZNSHCXBVSA-N 0 3 224.304 0.232 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@]2(C)CCC(=O)N2)n1 ZINC000453583737 388087598 /nfs/dbraw/zinc/08/75/98/388087598.db2.gz DDHUVJALTRTHMB-ZDUSSCGKSA-N 0 3 249.314 0.854 20 0 BCADHN CN(C[C@@H]1CCCC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000463146156 388087771 /nfs/dbraw/zinc/08/77/71/388087771.db2.gz FEKPTBMEMCCJMG-IRCOFANPSA-N 0 3 229.320 0.229 20 0 BCADHN CC(C)NC(=O)CN(C)[C@H]1CCCC[C@@H]1O ZINC000160769020 388087807 /nfs/dbraw/zinc/08/78/07/388087807.db2.gz LPDJZPAMECFYPZ-QWRGUYRKSA-N 0 3 228.336 0.746 20 0 BCADHN CN(CC[C@H]1CCCO1)[C@@H]1COC[C@H]1O ZINC000463202326 388088373 /nfs/dbraw/zinc/08/83/73/388088373.db2.gz LKBITLQDTNMTCE-GMTAPVOTSA-N 0 3 215.293 0.247 20 0 BCADHN C[C@@H](N[C@@H]1COC[C@H]1O)c1ccc2n[nH]cc2c1 ZINC000463209608 388088474 /nfs/dbraw/zinc/08/84/74/388088474.db2.gz COKXSKLCIDBDBO-BZHVJNSISA-N 0 3 247.298 0.973 20 0 BCADHN CC(C)[C@H]1CN([C@H]2COC[C@H]2O)CCN1C ZINC000463212410 388088774 /nfs/dbraw/zinc/08/87/74/388088774.db2.gz TXRBDBSNVIGENN-GRYCIOLGSA-N 0 3 228.336 0.018 20 0 BCADHN CSCC[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000085541512 388090401 /nfs/dbraw/zinc/09/04/01/388090401.db2.gz QBSJUKRHRBXHPP-AEJSXWLSSA-N 0 3 244.360 0.457 20 0 BCADHN CO[C@H](C)C(=O)NC1CCN(C2CC2)CC1 ZINC000055751766 388092317 /nfs/dbraw/zinc/09/23/17/388092317.db2.gz YMNGBDLJUIWFQX-SECBINFHSA-N 0 3 226.320 0.764 20 0 BCADHN CCCNC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085631592 388093296 /nfs/dbraw/zinc/09/32/96/388093296.db2.gz WMMUQWKKNOCESH-WCQGTBRESA-N 0 3 240.347 0.916 20 0 BCADHN O=c1[n-]c(=O)n(CC2CC[NH2+]CC2)cc1Cl ZINC000085632825 388093360 /nfs/dbraw/zinc/09/33/60/388093360.db2.gz BBWQJSOVTUVAPJ-UHFFFAOYSA-N 0 3 243.694 0.190 20 0 BCADHN CC1(NC(=O)C[C@@H]2CNCCO2)CCCC1 ZINC000085619787 388093764 /nfs/dbraw/zinc/09/37/64/388093764.db2.gz GMYPCFMFEPMDBY-SNVBAGLBSA-N 0 3 226.320 0.814 20 0 BCADHN CC[C@H](N)C(=O)NCCc1ccc(C)nc1 ZINC000645965353 388094988 /nfs/dbraw/zinc/09/49/88/388094988.db2.gz DZLNGMJXXIKWQQ-NSHDSACASA-N 0 3 221.304 0.786 20 0 BCADHN C[C@@H](CNC(=O)NC[C@@H]1CCCOC1)N(C)C ZINC000454359625 388115717 /nfs/dbraw/zinc/11/57/17/388115717.db2.gz KCSYMWGNMIUYRP-QWRGUYRKSA-N 0 3 243.351 0.662 20 0 BCADHN CC(C)OC(=O)CCN[C@@H](CO)[C@H]1CCCO1 ZINC000447900127 388101178 /nfs/dbraw/zinc/10/11/78/388101178.db2.gz AAEXSHRZCLUESF-WDEREUQCSA-N 0 3 245.319 0.458 20 0 BCADHN CC(C)OC(=O)CCN[C@@H](CO)[C@@H]1CCCO1 ZINC000447900126 388101719 /nfs/dbraw/zinc/10/17/19/388101719.db2.gz AAEXSHRZCLUESF-QWRGUYRKSA-N 0 3 245.319 0.458 20 0 BCADHN Cc1c(CN[C@@H](CO)[C@@H]2CCCO2)cnn1C ZINC000447908186 388102075 /nfs/dbraw/zinc/10/20/75/388102075.db2.gz USYHJNNTSWWTFM-RYUDHWBXSA-N 0 3 239.319 0.358 20 0 BCADHN O=C(CNC[C@@H]1CCC=CO1)NCC1CC1 ZINC000194582295 388102273 /nfs/dbraw/zinc/10/22/73/388102273.db2.gz ULPZISFCHJJHGM-NSHDSACASA-N 0 3 224.304 0.795 20 0 BCADHN CC(C)NC(=O)CCN[C@@H](CO)[C@@H]1CCCO1 ZINC000447917209 388103100 /nfs/dbraw/zinc/10/31/00/388103100.db2.gz XGYNBAAXHJQHMP-QWRGUYRKSA-N 0 3 244.335 0.031 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCCO1)N(C)C ZINC000454240495 388109501 /nfs/dbraw/zinc/10/95/01/388109501.db2.gz HXMZZUIVUPOCRC-GARJFASQSA-N 0 3 243.351 0.803 20 0 BCADHN CNC(=O)NC(=O)CN1CC[C@H](C)C[C@H](C)C1 ZINC000246662732 388110086 /nfs/dbraw/zinc/11/00/86/388110086.db2.gz KWGCFSCURMSRCY-UWVGGRQHSA-N 0 3 241.335 0.810 20 0 BCADHN C[C@@H](CNC(=O)N1C[C@@H](C)O[C@@H](C)C1)N(C)C ZINC000454322560 388113593 /nfs/dbraw/zinc/11/35/93/388113593.db2.gz OULJTPAGCCZUHU-GARJFASQSA-N 0 3 243.351 0.755 20 0 BCADHN CN(C)CC(C)(C)NC(=O)Nc1cnn(C)c1 ZINC000454304755 388113755 /nfs/dbraw/zinc/11/37/55/388113755.db2.gz SBPQMRNMTCOQNA-UHFFFAOYSA-N 0 3 239.323 0.882 20 0 BCADHN O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnn[n-]1 ZINC000108630818 388045074 /nfs/dbraw/zinc/04/50/74/388045074.db2.gz PJXVWVOHJRSNBZ-MRVPVSSYSA-N 0 3 235.291 0.019 20 0 BCADHN O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cnn[n-]1 ZINC000108630818 388045078 /nfs/dbraw/zinc/04/50/78/388045078.db2.gz PJXVWVOHJRSNBZ-MRVPVSSYSA-N 0 3 235.291 0.019 20 0 BCADHN COC(=O)CC1(CN2C[C@@H](O)C[C@@H]2C)CC1 ZINC000440509662 388046983 /nfs/dbraw/zinc/04/69/83/388046983.db2.gz GDJPYMKSPIEORY-UWVGGRQHSA-N 0 3 227.304 0.785 20 0 BCADHN C[C@H](CO)CNCc1cnc(N(C)C)n1C ZINC000083219931 388047665 /nfs/dbraw/zinc/04/76/65/388047665.db2.gz OQGCBZGZTQPJSV-VIFPVBQESA-N 0 3 226.324 0.204 20 0 BCADHN COCC[C@@]1(NCc2cncnc2)CCOC1 ZINC000447062916 388050335 /nfs/dbraw/zinc/05/03/35/388050335.db2.gz GJLZWANYDOQLAQ-GFCCVEGCSA-N 0 3 237.303 0.762 20 0 BCADHN COc1nccc(CN[C@@H]2CN(C)C[C@@H]2C)n1 ZINC000449190210 388155558 /nfs/dbraw/zinc/15/55/58/388155558.db2.gz NPUFSCBESUJXIZ-GXSJLCMTSA-N 0 3 236.319 0.525 20 0 BCADHN CCN(C)CCNc1nccc(OC)n1 ZINC000162359604 388156753 /nfs/dbraw/zinc/15/67/53/388156753.db2.gz WSEICWRERMYPTM-UHFFFAOYSA-N 0 3 210.281 0.849 20 0 BCADHN Cc1cccc(CCN2C[C@H](O)C[C@H]2CO)c1 ZINC000449236163 388160284 /nfs/dbraw/zinc/16/02/84/388160284.db2.gz IWYZSLANTITKBG-UONOGXRCSA-N 0 3 235.327 0.965 20 0 BCADHN C[C@@H](CNC(=O)N(C)CC1CC1)N(C)C ZINC000455443816 388160472 /nfs/dbraw/zinc/16/04/72/388160472.db2.gz QSLSQSYVYOBOGA-VIFPVBQESA-N 0 3 213.325 0.988 20 0 BCADHN C[C@@H](CNC(=O)N1CCC[C@H](O)[C@@H]1C)N(C)C ZINC000455450968 388160657 /nfs/dbraw/zinc/16/06/57/388160657.db2.gz ZCIPUBAGUUHZDS-DCAQKATOSA-N 0 3 243.351 0.491 20 0 BCADHN C[C@@H](CNC(=O)N1CCC[C@@H](O)[C@H]1C)N(C)C ZINC000455450970 388160683 /nfs/dbraw/zinc/16/06/83/388160683.db2.gz ZCIPUBAGUUHZDS-HBNTYKKESA-N 0 3 243.351 0.491 20 0 BCADHN O=S1(=O)CCC[C@H](NC[C@@H]2CCCCO2)C1 ZINC000070650793 388161356 /nfs/dbraw/zinc/16/13/56/388161356.db2.gz DSPOIMHXIJSUTE-QWRGUYRKSA-N 0 3 247.360 0.722 20 0 BCADHN C[C@@H](CO[C@@H]1CCOC1)NC(=O)C1(N)CCC1 ZINC000646191878 388162216 /nfs/dbraw/zinc/16/22/16/388162216.db2.gz ZITFOEANXFFKGX-VHSXEESVSA-N 0 3 242.319 0.178 20 0 BCADHN C[C@H](NC1CC1)C(=O)Nc1ccnc2ccnn21 ZINC000449275166 388165161 /nfs/dbraw/zinc/16/51/61/388165161.db2.gz KFSBGXCGYDHYBY-QMMMGPOBSA-N 0 3 245.286 0.808 20 0 BCADHN Cc1cc(C(=O)N[C@H](CO)CN(C)C)ns1 ZINC000646208798 388165201 /nfs/dbraw/zinc/16/52/01/388165201.db2.gz JATGNJARDRSKKY-QMMMGPOBSA-N 0 3 243.332 0.104 20 0 BCADHN CCCN[C@H](C)C(=O)N1CCNC(=O)C1(C)C ZINC000449275722 388165195 /nfs/dbraw/zinc/16/51/95/388165195.db2.gz OJGPNUVXDVDXHQ-SECBINFHSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@](C)(NC(=O)[C@@H](C)NC1CC1)C(=O)OC ZINC000449272550 388165565 /nfs/dbraw/zinc/16/55/65/388165565.db2.gz VINRDSYBGGUPIW-PELKAZGASA-N 0 3 242.319 0.585 20 0 BCADHN CC(C)OCCCC(=O)N[C@@H](CO)CN(C)C ZINC000646211017 388165587 /nfs/dbraw/zinc/16/55/87/388165587.db2.gz OWQDYHWNFNUSCO-LLVKDONJSA-N 0 3 246.351 0.230 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000646228537 388168506 /nfs/dbraw/zinc/16/85/06/388168506.db2.gz BYSXXISUCUVNTQ-OUAUKWLOSA-N 0 3 228.336 0.901 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1csc(=O)[nH]1 ZINC000646242890 388169590 /nfs/dbraw/zinc/16/95/90/388169590.db2.gz ISTAEFJEVFRGQY-SSDOTTSWSA-N 0 3 241.316 0.463 20 0 BCADHN N[C@H](C(=O)NCc1ccc(F)cn1)C1CCC1 ZINC000646245558 388169989 /nfs/dbraw/zinc/16/99/89/388169989.db2.gz VETHOYDTZOJOQT-NSHDSACASA-N 0 3 237.278 0.964 20 0 BCADHN COC[C@H](CO)N[C@H](C)Cc1ccoc1 ZINC000449303241 388170010 /nfs/dbraw/zinc/17/00/10/388170010.db2.gz WPYFJONIPIMJHN-KOLCDFICSA-N 0 3 213.277 0.808 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000646247461 388170214 /nfs/dbraw/zinc/17/02/14/388170214.db2.gz QNLIUMZUTKWMIE-ONGXEEELSA-N 0 3 248.330 0.381 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000646246939 388170331 /nfs/dbraw/zinc/17/03/31/388170331.db2.gz LLSLASBIVIJYTA-DTWKUNHWSA-N 0 3 222.292 0.121 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)[C@H]1NCC1(C)C ZINC000646246978 388170397 /nfs/dbraw/zinc/17/03/97/388170397.db2.gz ZAXOGXYMGDUCRO-NXEZZACHSA-N 0 3 228.336 0.508 20 0 BCADHN Cc1ocnc1CNC(=O)[C@H]1NCC1(C)C ZINC000646275144 388174652 /nfs/dbraw/zinc/17/46/52/388174652.db2.gz HMBWQIICAAYRGH-SECBINFHSA-N 0 3 223.276 0.597 20 0 BCADHN CCOC(=O)CN1CCN(C2CC2)C[C@H](C)C1 ZINC000449347995 388178040 /nfs/dbraw/zinc/17/80/40/388178040.db2.gz SJOIYFPVMJNQTI-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CCn1nccc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000646298774 388178745 /nfs/dbraw/zinc/17/87/45/388178745.db2.gz PUMOWVRPXDLIPO-VHSXEESVSA-N 0 3 236.319 0.725 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@](C)(O)C1CCC1 ZINC000488507172 388183159 /nfs/dbraw/zinc/18/31/59/388183159.db2.gz PUQRWXUHGNXESA-JOYOIKCWSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCN(CCO)[C@H](C)C1 ZINC000488516944 388184481 /nfs/dbraw/zinc/18/44/81/388184481.db2.gz QVAGWKJCBHIDKT-IJLUTSLNSA-N 0 3 212.337 0.641 20 0 BCADHN CC[C@H](NC(=O)CN(CC)CC)[C@H](C)O ZINC000456209252 388184937 /nfs/dbraw/zinc/18/49/37/388184937.db2.gz IGYGNLVWELLASO-UWVGGRQHSA-N 0 3 216.325 0.604 20 0 BCADHN CCNS(=O)(=O)[C@@H]1CCN(C[C@H]2C[C@H]2C)C1 ZINC000488531527 388185160 /nfs/dbraw/zinc/18/51/60/388185160.db2.gz YOVQZOUBZWPTRE-GMTAPVOTSA-N 0 3 246.376 0.656 20 0 BCADHN COC[C@H]1CCCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000645984670 388116411 /nfs/dbraw/zinc/11/64/11/388116411.db2.gz XFDBGOAIONPYIE-WDEREUQCSA-N 0 3 240.347 0.869 20 0 BCADHN COCC[C@@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000454419326 388117414 /nfs/dbraw/zinc/11/74/14/388117414.db2.gz DYFYQOKMIUSFSN-ZJUUUORDSA-N 0 3 231.340 0.661 20 0 BCADHN C[C@@H](CNC(=O)NC[C@]1(C)CCOC1)N(C)C ZINC000454504331 388121161 /nfs/dbraw/zinc/12/11/61/388121161.db2.gz WMEZXIMQSLKVGW-JQWIXIFHSA-N 0 3 243.351 0.662 20 0 BCADHN COCCN1CC[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000448937588 388121574 /nfs/dbraw/zinc/12/15/74/388121574.db2.gz QONKWDCGTYYEMO-IUCAKERBSA-N 0 3 248.273 0.479 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CC[C@H](S(N)(=O)=O)C1 ZINC000488542336 388186016 /nfs/dbraw/zinc/18/60/16/388186016.db2.gz ZGYAQMVPIAWWTQ-HLTSFMKQSA-N 0 3 218.322 0.005 20 0 BCADHN CCN(C)CCNC(=O)Cn1ccc(C)n1 ZINC000448975792 388124298 /nfs/dbraw/zinc/12/42/98/388124298.db2.gz JNUKSMFIMVOLJD-UHFFFAOYSA-N 0 3 224.308 0.259 20 0 BCADHN CC[C@H](CO)N(C)Cc1cn(C)nc1C ZINC000449374677 388186050 /nfs/dbraw/zinc/18/60/50/388186050.db2.gz BSBAYCPVWNOXFJ-LLVKDONJSA-N 0 3 211.309 0.931 20 0 BCADHN CN(C)C[C@]1(O)CCCN(C(=O)CC2CC2)C1 ZINC000646022353 388126129 /nfs/dbraw/zinc/12/61/29/388126129.db2.gz VRKRHNUDOIDFNX-CYBMUJFWSA-N 0 3 240.347 0.702 20 0 BCADHN Cc1ocnc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000171470885 388126204 /nfs/dbraw/zinc/12/62/04/388126204.db2.gz HPDZVNDWZJHQSI-JTQLQIEISA-N 0 3 235.287 0.903 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCCCCOC ZINC000162225946 388129009 /nfs/dbraw/zinc/12/90/09/388129009.db2.gz OKMHWSCDTYFRMR-JTQLQIEISA-N 0 3 237.365 0.826 20 0 BCADHN CS[C@@H](C)CNC(=O)NC[C@H](C)N(C)C ZINC000454713046 388131047 /nfs/dbraw/zinc/13/10/47/388131047.db2.gz LDPTUZAKIRKUAI-IUCAKERBSA-N 0 3 233.381 0.987 20 0 BCADHN NC(=O)[C@H]1CCCN1CC[C@H]1CCCO1 ZINC000249278342 388131989 /nfs/dbraw/zinc/13/19/89/388131989.db2.gz KJCOEYZPFSMLNE-NXEZZACHSA-N 0 3 212.293 0.505 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCc1c[nH]cn1 ZINC000646046058 388131957 /nfs/dbraw/zinc/13/19/57/388131957.db2.gz CECNWOMXQBKDHI-QMMMGPOBSA-N 0 3 208.265 0.024 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC000249610353 388131978 /nfs/dbraw/zinc/13/19/78/388131978.db2.gz GXRNFKWDNALRKG-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN CC(=O)NCCN(C)CCc1cncn1C ZINC000646047350 388132382 /nfs/dbraw/zinc/13/23/82/388132382.db2.gz NZIGOODTXVONOI-UHFFFAOYSA-N 0 3 224.308 0.031 20 0 BCADHN CC(=O)NCCN(C)CCc1cccnc1 ZINC000646047146 388132402 /nfs/dbraw/zinc/13/24/02/388132402.db2.gz BMINPSMZNHSPMT-UHFFFAOYSA-N 0 3 221.304 0.692 20 0 BCADHN CC(=O)NCCN(C)CCC[C@@H]1CCOC1 ZINC000646047564 388132659 /nfs/dbraw/zinc/13/26/59/388132659.db2.gz VKTIPENCEAQTFD-GFCCVEGCSA-N 0 3 228.336 0.871 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000646054474 388133027 /nfs/dbraw/zinc/13/30/27/388133027.db2.gz YWYUWDUPWLXKEO-NKWVEPMBSA-N 0 3 240.225 0.513 20 0 BCADHN CC[C@H]1CN(C)CCCN1C(=O)c1c[nH]cn1 ZINC000646051686 388133533 /nfs/dbraw/zinc/13/35/33/388133533.db2.gz FWJKVCKUFGAOEZ-JTQLQIEISA-N 0 3 236.319 0.966 20 0 BCADHN CCn1ccc(C(=O)NCCN2CCCC2)n1 ZINC000648718792 388133951 /nfs/dbraw/zinc/13/39/51/388133951.db2.gz DDAMAJUUSQVLSZ-UHFFFAOYSA-N 0 3 236.319 0.729 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000454824483 388135153 /nfs/dbraw/zinc/13/51/53/388135153.db2.gz KGCJZHRODBGVPY-LPEHRKFASA-N 0 3 231.340 0.659 20 0 BCADHN CCC[C@@H](O)CN[C@@H](C)CS(=O)(=O)CC ZINC000162257483 388136638 /nfs/dbraw/zinc/13/66/38/388136638.db2.gz OVSCYUFDYASNDQ-VHSXEESVSA-N 0 3 237.365 0.560 20 0 BCADHN CC(C)[C@@H](O)CN[C@@H](C)CS(C)(=O)=O ZINC000162263813 388138727 /nfs/dbraw/zinc/13/87/27/388138727.db2.gz GBJIDIKFKKWLOM-IUCAKERBSA-N 0 3 223.338 0.026 20 0 BCADHN CCCN[C@@H](C)C(=O)N(CC)CC(=O)NCC ZINC000449076817 388139774 /nfs/dbraw/zinc/13/97/74/388139774.db2.gz IHSIRQXEUIHXKY-JTQLQIEISA-N 0 3 243.351 0.359 20 0 BCADHN C[C@H](CF)NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454949986 388141407 /nfs/dbraw/zinc/14/14/07/388141407.db2.gz FNXWCVHHTHZGEL-KXUCPTDWSA-N 0 3 229.299 0.690 20 0 BCADHN COc1ccc(NC(=O)CNC2CC2)nc1 ZINC000646094676 388141542 /nfs/dbraw/zinc/14/15/42/388141542.db2.gz LVLQCNZBGCKBAO-UHFFFAOYSA-N 0 3 221.260 0.781 20 0 BCADHN C[C@H]1CC2(CN1CC(=O)N(C)C)CCOCC2 ZINC000646096347 388142432 /nfs/dbraw/zinc/14/24/32/388142432.db2.gz FYFPRLNOIYLZKK-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1C(=O)N(C)CN1CCN1CCC(C)CC1 ZINC000646126219 388148997 /nfs/dbraw/zinc/14/89/97/388148997.db2.gz GNZZBBSLLZUHFU-GFCCVEGCSA-N 0 3 239.363 0.838 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)[C@H]1NCC1(C)C ZINC000646129153 388150116 /nfs/dbraw/zinc/15/01/16/388150116.db2.gz XMNZWGWHORWMPG-LPEHRKFASA-N 0 3 228.336 0.508 20 0 BCADHN CN(C)CC(C)(C)NC(=O)Nc1ccnn1C ZINC000455142966 388150476 /nfs/dbraw/zinc/15/04/76/388150476.db2.gz QQUJIDOEQQEGKX-UHFFFAOYSA-N 0 3 239.323 0.882 20 0 BCADHN CCCCN(CC(N)=O)C(=O)[C@H](C)NCCC ZINC000449167345 388151634 /nfs/dbraw/zinc/15/16/34/388151634.db2.gz JMFUIPWNEVYUPU-JTQLQIEISA-N 0 3 243.351 0.489 20 0 BCADHN CNCC(=O)N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000646135901 388151958 /nfs/dbraw/zinc/15/19/58/388151958.db2.gz CMEOJIJRVPLLMO-BQBZGAKWSA-N 0 3 240.225 0.384 20 0 BCADHN CCn1nccc1NC(=O)[C@H](C)NC1CC1 ZINC000449171799 388152776 /nfs/dbraw/zinc/15/27/76/388152776.db2.gz UWGMUBUTZUCAAI-QMMMGPOBSA-N 0 3 222.292 0.982 20 0 BCADHN C[C@H](CO)[C@H](C)N[C@@H](C)C(=O)NC1CC1 ZINC000164885219 388249055 /nfs/dbraw/zinc/24/90/55/388249055.db2.gz FFALIYSMSZPCLZ-VGMNWLOBSA-N 0 3 214.309 0.260 20 0 BCADHN CC(C)NC(=O)CN[C@H](C)[C@H](C)CO ZINC000164899034 388249066 /nfs/dbraw/zinc/24/90/66/388249066.db2.gz AQMUUGHTYNWURC-RKDXNWHRSA-N 0 3 202.298 0.118 20 0 BCADHN CCN(CC)C(=O)CN[C@H](C)[C@H](C)CO ZINC000164901454 388249309 /nfs/dbraw/zinc/24/93/09/388249309.db2.gz HSOOUOYCBAXTFO-NXEZZACHSA-N 0 3 216.325 0.461 20 0 BCADHN C[C@@H](CO)[C@H](C)NCC(=O)NC(C)(C)C ZINC000164906731 388249421 /nfs/dbraw/zinc/24/94/21/388249421.db2.gz QBYXMCZDBIIMKR-IUCAKERBSA-N 0 3 216.325 0.508 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CNCCC1(F)F ZINC000449661771 388249819 /nfs/dbraw/zinc/24/98/19/388249819.db2.gz DHOMPDGDQWLGNW-SECBINFHSA-N 0 3 249.305 0.440 20 0 BCADHN CCOCCC(=O)N[C@H]1CNCCC1(F)F ZINC000449664926 388250274 /nfs/dbraw/zinc/25/02/74/388250274.db2.gz QBMYBIXPNYGMFA-QMMMGPOBSA-N 0 3 236.262 0.526 20 0 BCADHN CCO[C@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000449663120 388250636 /nfs/dbraw/zinc/25/06/36/388250636.db2.gz NRLBZKPBCYZOHB-SFYZADRCSA-N 0 3 236.262 0.525 20 0 BCADHN CC(C)OCC(=O)N[C@@H]1CNCCC1(F)F ZINC000449665941 388250790 /nfs/dbraw/zinc/25/07/90/388250790.db2.gz RLYOXXDDVBBZHV-MRVPVSSYSA-N 0 3 236.262 0.525 20 0 BCADHN CC[C@H](N)C(=O)NC(C)(C)CCC(=O)OC ZINC000490738413 388251365 /nfs/dbraw/zinc/25/13/65/388251365.db2.gz DQZHDSWYBOOFOL-QMMMGPOBSA-N 0 3 230.308 0.572 20 0 BCADHN C[C@H](Cn1cncn1)NCc1cc[nH]c1 ZINC000165663107 388253057 /nfs/dbraw/zinc/25/30/57/388253057.db2.gz XVIJTGHPBGZWNU-SECBINFHSA-N 0 3 205.265 0.785 20 0 BCADHN COC[C@@H](O)CNCc1sccc1OC ZINC000166700940 388254971 /nfs/dbraw/zinc/25/49/71/388254971.db2.gz DBHUZFDIMUXURW-QMMMGPOBSA-N 0 3 231.317 0.854 20 0 BCADHN CCC[C@H](N)C(=O)NC1(CC(=O)OC)CCC1 ZINC000490864880 388257599 /nfs/dbraw/zinc/25/75/99/388257599.db2.gz PFWOTRAZNRPFFQ-VIFPVBQESA-N 0 3 242.319 0.716 20 0 BCADHN COCCN1CCCN(C[C@@H]2C[C@H]2C)CC1=O ZINC000488571560 388189092 /nfs/dbraw/zinc/18/90/92/388189092.db2.gz GDMZCQYVRWGEQU-NEPJUHHUSA-N 0 3 240.347 0.823 20 0 BCADHN CCCCCNC(=O)CN1CC[C@H](CO)[C@@H]1C ZINC000488723158 388192167 /nfs/dbraw/zinc/19/21/67/388192167.db2.gz WEIQHXOIDCWJCM-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN CCNC(=O)C(C)(C)NC[C@H](O)C(C)C ZINC000313042601 256534653 /nfs/dbraw/zinc/53/46/53/256534653.db2.gz FPHVHBPGJYGRMZ-VIFPVBQESA-N 0 3 216.325 0.508 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000489045917 388202668 /nfs/dbraw/zinc/20/26/68/388202668.db2.gz UJKOVZJRJKWHJK-KOLCDFICSA-N 0 3 241.335 0.293 20 0 BCADHN CCOC[C@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000489086945 388203796 /nfs/dbraw/zinc/20/37/96/388203796.db2.gz DSYQPSDGRBWYHR-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN CNC(=O)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC000456502620 388205123 /nfs/dbraw/zinc/20/51/23/388205123.db2.gz JMENYHGOUMKOHT-ONGXEEELSA-N 0 3 243.351 0.213 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)C(=O)OC(C)C)N(C)C ZINC000456611106 388209988 /nfs/dbraw/zinc/20/99/88/388209988.db2.gz HEUCBBYTQPUDRN-VHSXEESVSA-N 0 3 244.335 0.783 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000449505909 388217616 /nfs/dbraw/zinc/21/76/16/388217616.db2.gz ZOQHRUFGIQLVQO-LPEHRKFASA-N 0 3 225.336 0.336 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](CC)N(C)C)[C@@H](O)CC ZINC000456733654 388218457 /nfs/dbraw/zinc/21/84/57/388218457.db2.gz SMJLJDHISPYPPR-MXWKQRLJSA-N 0 3 230.352 0.992 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCN[C@H](C)[C@H]1C ZINC000449505908 388220698 /nfs/dbraw/zinc/22/06/98/388220698.db2.gz ZOQHRUFGIQLVQO-KXUCPTDWSA-N 0 3 225.336 0.336 20 0 BCADHN CCN1C[C@H](N[C@H](C)Cn2cccn2)CC1=O ZINC000449515769 388221908 /nfs/dbraw/zinc/22/19/08/388221908.db2.gz BFYXWJNBQHKULH-GHMZBOCLSA-N 0 3 236.319 0.482 20 0 BCADHN COC[C@@]1(C(=O)NC[C@@H](C)N(C)C)CCOC1 ZINC000449516422 388221917 /nfs/dbraw/zinc/22/19/17/388221917.db2.gz ASSJXTMWRKZNJI-PWSUYJOCSA-N 0 3 244.335 0.106 20 0 BCADHN Cc1ncncc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000518037534 256558353 /nfs/dbraw/zinc/55/83/53/256558353.db2.gz CAJPZKIOLJPAMF-SNVBAGLBSA-N 0 3 248.330 0.999 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000489892524 388227053 /nfs/dbraw/zinc/22/70/53/388227053.db2.gz XFSCQZANXLXUMI-QMMMGPOBSA-N 0 3 224.264 0.035 20 0 BCADHN CC[C@@H](NCc1cnc(N(C)C)nc1)[C@@H](C)O ZINC000449542239 388228394 /nfs/dbraw/zinc/22/83/94/388228394.db2.gz LVMJVFYDECVKPB-MWLCHTKSSA-N 0 3 238.335 0.792 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H](O)C1CCC1 ZINC000456870061 388229392 /nfs/dbraw/zinc/22/93/92/388229392.db2.gz OKVZPWNRYBVAEP-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2cnc(N)cn2)CCN1 ZINC000646327693 388229877 /nfs/dbraw/zinc/22/98/77/388229877.db2.gz OZSZXZGOVBBOHY-SNVBAGLBSA-N 0 3 249.318 0.129 20 0 BCADHN Cc1ccc(NC(=O)CCN(C)CCO)nc1 ZINC000489970505 388230120 /nfs/dbraw/zinc/23/01/20/388230120.db2.gz HMOXIXQPQNXCBJ-UHFFFAOYSA-N 0 3 237.303 0.643 20 0 BCADHN COCCN(CCCCO)[C@@H]1CCOC1 ZINC000490040431 388230777 /nfs/dbraw/zinc/23/07/77/388230777.db2.gz DTPSRTUKTQZMPL-LLVKDONJSA-N 0 3 217.309 0.496 20 0 BCADHN CCOC[C@H](O)CN(CCOC)[C@@H]1CCOC1 ZINC000490054137 388232409 /nfs/dbraw/zinc/23/24/09/388232409.db2.gz BRXPBROYVUNXMF-VXGBXAGGSA-N 0 3 247.335 0.121 20 0 BCADHN COCCN(CCC(C)(C)O)[C@H]1CCOC1 ZINC000490074930 388233020 /nfs/dbraw/zinc/23/30/20/388233020.db2.gz VZSAMHHKMGZZHF-NSHDSACASA-N 0 3 231.336 0.885 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCNC[C@@](C)(F)C1 ZINC000449571380 388235687 /nfs/dbraw/zinc/23/56/87/388235687.db2.gz KDDUTXCFHGOMKD-JBLDHEPKSA-N 0 3 245.342 0.520 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000490203303 388236486 /nfs/dbraw/zinc/23/64/86/388236486.db2.gz NWPBWEWGRTVZJD-ZJUUUORDSA-N 0 3 241.335 0.228 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CCNC[C@@](C)(F)C1 ZINC000449576287 388236720 /nfs/dbraw/zinc/23/67/20/388236720.db2.gz RIUWJAQWDYQMHB-ZYHUDNBSSA-N 0 3 245.342 0.664 20 0 BCADHN CCN(CC)CCNC(=O)CSCC(C)=O ZINC000490412141 388238824 /nfs/dbraw/zinc/23/88/24/388238824.db2.gz JIUPOWFYDWZGCY-UHFFFAOYSA-N 0 3 246.376 0.767 20 0 BCADHN CCC[C@@H](O)CN(CCOC)[C@H]1CCOC1 ZINC000450875429 388260124 /nfs/dbraw/zinc/26/01/24/388260124.db2.gz NJAPHKSCLFCOJK-NWDGAFQWSA-N 0 3 231.336 0.885 20 0 BCADHN O=C(NCCN1CCCCC1)[C@@H](O)C1CCC1 ZINC000449620985 388244534 /nfs/dbraw/zinc/24/45/34/388244534.db2.gz XRIFNQLKQJMYSL-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@H](O)CN1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000459450074 388244902 /nfs/dbraw/zinc/24/49/02/388244902.db2.gz YBROCKCYEDNREJ-IRCOFANPSA-N 0 3 229.320 0.636 20 0 BCADHN CC(C)[C@](C)(NCCOCC1CC1)C(N)=O ZINC000459480109 388245602 /nfs/dbraw/zinc/24/56/02/388245602.db2.gz LNJCCOMOZPIANP-LBPRGKRZSA-N 0 3 228.336 0.903 20 0 BCADHN CC[C@H](N)C(=O)N1CCOC[C@@H]1CC(C)C ZINC000490681431 388247018 /nfs/dbraw/zinc/24/70/18/388247018.db2.gz XNPSUHKQMJEPFQ-QWRGUYRKSA-N 0 3 228.336 0.997 20 0 BCADHN CCN(CCO)C[C@H](O)COCC(C)C ZINC000192950761 388247736 /nfs/dbraw/zinc/24/77/36/388247736.db2.gz FABQHXZJLQJVGD-NSHDSACASA-N 0 3 219.325 0.334 20 0 BCADHN CCN1CCC[C@@H]1CNS(=O)(=O)CC1CC1 ZINC000491299660 388283783 /nfs/dbraw/zinc/28/37/83/388283783.db2.gz UFIHSKFQOBJXFR-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN CCCCOCCN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451624802 388285353 /nfs/dbraw/zinc/28/53/53/388285353.db2.gz OEMUJVQWNVFMDP-AOOOYVTPSA-N 0 3 240.303 0.008 20 0 BCADHN CCCn1ncnc1CN1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451626339 388285709 /nfs/dbraw/zinc/28/57/09/388285709.db2.gz SXGBOKQSIGIUKY-NWDGAFQWSA-N 0 3 249.362 0.824 20 0 BCADHN CN(C)CC1(NC(=O)[C@@H](O)C2CCC2)CCC1 ZINC000451635522 388286335 /nfs/dbraw/zinc/28/63/35/388286335.db2.gz RHNCYBWGKLORTG-NSHDSACASA-N 0 3 240.347 0.748 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@H]1CCSC1 ZINC000492014560 388331680 /nfs/dbraw/zinc/33/16/80/388331680.db2.gz BHDUYAUEWHTYJH-TYRPZCRBSA-N 0 3 214.334 0.726 20 0 BCADHN CCNC(=O)NC[C@H]1CCCCN1CCO ZINC000451664929 388288740 /nfs/dbraw/zinc/28/87/40/388288740.db2.gz CXMIWQUVVPNDKP-SNVBAGLBSA-N 0 3 229.324 0.152 20 0 BCADHN CCCN1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451664363 388288915 /nfs/dbraw/zinc/28/89/15/388288915.db2.gz LWLRGKSLHBVETB-PHIMTYICSA-N 0 3 200.326 0.783 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1OCC[C@@H]1C ZINC000451760712 388294234 /nfs/dbraw/zinc/29/42/34/388294234.db2.gz MJTIXSQLRVJIDL-LPEHRKFASA-N 0 3 214.309 0.478 20 0 BCADHN CO[C@@H]1CN(CCN2CCC(C)CC2)C[C@H]1O ZINC000451758465 388294238 /nfs/dbraw/zinc/29/42/38/388294238.db2.gz JLOXFYKAUIRJOZ-CHWSQXEVSA-N 0 3 242.363 0.410 20 0 BCADHN CO[C@@H]1CN(CCCc2ccncc2)C[C@H]1O ZINC000451766333 388294731 /nfs/dbraw/zinc/29/47/31/388294731.db2.gz XBUBQQNTWIJGCH-CHWSQXEVSA-N 0 3 236.315 0.706 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN[C@H]1COCC1(C)C ZINC000451814850 388298442 /nfs/dbraw/zinc/29/84/42/388298442.db2.gz VJDNGOIOOCWUHH-CABZTGNLSA-N 0 3 245.319 0.315 20 0 BCADHN CC[C@H](C)N1CCN(CC(=O)N(C)CC)CC1 ZINC000451826007 388299273 /nfs/dbraw/zinc/29/92/73/388299273.db2.gz RLOQRPAGKAGRNG-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN C[NH+](C)C/C=C\C(=O)[N-]OC[C@H]1CCOC1 ZINC000492027461 388332066 /nfs/dbraw/zinc/33/20/66/388332066.db2.gz BGRXLFIRUMABHV-XOULXFPDSA-N 0 3 228.292 0.189 20 0 BCADHN CN(C)C/C=C\C(=O)NOC[C@H]1CCOC1 ZINC000492027461 388332067 /nfs/dbraw/zinc/33/20/67/388332067.db2.gz BGRXLFIRUMABHV-XOULXFPDSA-N 0 3 228.292 0.189 20 0 BCADHN CCOCCN1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451865128 388301742 /nfs/dbraw/zinc/30/17/42/388301742.db2.gz UCYKFKAIVDZRCO-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN CN(C)C/C=C\C(=O)NCc1cccnc1 ZINC000491648179 388307913 /nfs/dbraw/zinc/30/79/13/388307913.db2.gz YZSNPEIUKGLGEJ-XQRVVYSFSA-N 0 3 219.288 0.816 20 0 BCADHN Cc1noc([C@H](C)NC(=O)/C=C\CN(C)C)n1 ZINC000491687921 388310917 /nfs/dbraw/zinc/31/09/17/388310917.db2.gz YOOBNDMOJVNAAC-SLGIHZDVSA-N 0 3 238.291 0.673 20 0 BCADHN COC[C@H]1CCN(C(=O)/C=C\CN(C)C)C1 ZINC000491873482 388325598 /nfs/dbraw/zinc/32/55/98/388325598.db2.gz ULOSQGFYOOWTKS-WYGGZMRJSA-N 0 3 226.320 0.599 20 0 BCADHN C[C@@H](Cn1ccnc1)NC(=O)/C=C\CN(C)C ZINC000491883162 388326290 /nfs/dbraw/zinc/32/62/90/388326290.db2.gz KLGZSZFPCHIHBN-WYGGZMRJSA-N 0 3 236.319 0.506 20 0 BCADHN CC[C@@H]1COCCN1C(=O)/C=C\CN(C)C ZINC000491901740 388327012 /nfs/dbraw/zinc/32/70/12/388327012.db2.gz AFULCNXMWPUNAX-ISALQUGTSA-N 0 3 226.320 0.742 20 0 BCADHN CN(C)C/C=C\C(=O)Nc1ccnc2ccnn21 ZINC000491907118 388327079 /nfs/dbraw/zinc/32/70/79/388327079.db2.gz RFJRHTHMGGJKNV-ARJAWSKDSA-N 0 3 245.286 0.786 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000491908684 388327253 /nfs/dbraw/zinc/32/72/53/388327253.db2.gz VTGILNZOQDPERG-HIMAVIEDSA-N 0 3 240.347 0.772 20 0 BCADHN C[C@@H](NC(=O)/C=C\CN(C)C)c1cnn(C)c1 ZINC000491914415 388327611 /nfs/dbraw/zinc/32/76/11/388327611.db2.gz NHDYDJDOSLULDQ-WWQCOOJYSA-N 0 3 236.319 0.715 20 0 BCADHN CN(C)C/C=C\C(=O)N(CCO)C1CCC1 ZINC000491965863 388329872 /nfs/dbraw/zinc/32/98/72/388329872.db2.gz UATMPIFCMCMLDD-DAXSKMNVSA-N 0 3 226.320 0.478 20 0 BCADHN CCC(CC)(CC(=O)OC)NC(=O)[C@@H](C)N ZINC000490979822 388263027 /nfs/dbraw/zinc/26/30/27/388263027.db2.gz ZCCBDTIFRCEVNJ-MRVPVSSYSA-N 0 3 230.308 0.572 20 0 BCADHN CCC[C@H](N)C(=O)NC(CC)(CC)C(=O)OC ZINC000490979409 388263331 /nfs/dbraw/zinc/26/33/31/388263331.db2.gz XTLOYIKLAOVUHA-VIFPVBQESA-N 0 3 244.335 0.962 20 0 BCADHN COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)CN ZINC000491030396 388265527 /nfs/dbraw/zinc/26/55/27/388265527.db2.gz BUYDXULQLBGNBQ-NXEZZACHSA-N 0 3 242.319 0.573 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CCC(CF)CC1 ZINC000451391395 388268180 /nfs/dbraw/zinc/26/81/80/388268180.db2.gz FZBMLLYGJFHSCP-LBPRGKRZSA-N 0 3 247.310 0.982 20 0 BCADHN Cn1nccc1CN[C@H]1C[C@@H](O)C1(C)C ZINC000163370542 388269608 /nfs/dbraw/zinc/26/96/08/388269608.db2.gz TWIFPTSCKDWFNW-VHSXEESVSA-N 0 3 209.293 0.669 20 0 BCADHN CC(C)N(C)CCNS(=O)(=O)C1(C)CC1 ZINC000451434922 388272927 /nfs/dbraw/zinc/27/29/27/388272927.db2.gz UFLHGGRLGVQFFT-UHFFFAOYSA-N 0 3 234.365 0.799 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000163380801 388273111 /nfs/dbraw/zinc/27/31/11/388273111.db2.gz ACELSKFUJKVTGC-HLTSFMKQSA-N 0 3 235.349 0.169 20 0 BCADHN COCCCN1CC[C@@](O)(C(F)F)C1 ZINC000451442282 388274136 /nfs/dbraw/zinc/27/41/36/388274136.db2.gz VEKSCBWIPIWADC-VIFPVBQESA-N 0 3 209.236 0.725 20 0 BCADHN CN(C[C@H]1CCCOC1)[C@H]1COC[C@H]1O ZINC000463067990 388276316 /nfs/dbraw/zinc/27/63/16/388276316.db2.gz FIJGFYUIRRPESM-OUAUKWLOSA-N 0 3 215.293 0.105 20 0 BCADHN CCOC[C@H]1CCCN([C@@H]2COC[C@H]2O)C1 ZINC000463074730 388276410 /nfs/dbraw/zinc/27/64/10/388276410.db2.gz HYHVIVHVEWRJKS-QJPTWQEYSA-N 0 3 229.320 0.495 20 0 BCADHN CN(C)CCNC(=O)/C=C\c1ccnn1C ZINC000491237056 388279180 /nfs/dbraw/zinc/27/91/80/388279180.db2.gz OGDRCHIIYNOYDD-PLNGDYQASA-N 0 3 222.292 0.111 20 0 BCADHN CC(C)C[C@H](CO)NC(=O)/C=C\CN(C)C ZINC000492285493 388340410 /nfs/dbraw/zinc/34/04/10/388340410.db2.gz YHHILRQZVGQGGG-ISALQUGTSA-N 0 3 228.336 0.627 20 0 BCADHN CN(C)C/C=C\C(=O)Nc1ccc(C(N)=O)nc1 ZINC000492296979 388340682 /nfs/dbraw/zinc/34/06/82/388340682.db2.gz PXQRXYKHJBYPLF-ARJAWSKDSA-N 0 3 248.286 0.237 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@H](O)c1ccccn1 ZINC000492315378 388341234 /nfs/dbraw/zinc/34/12/34/388341234.db2.gz BCZYVGGQHNUPEP-HWPRWLFBSA-N 0 3 249.314 0.349 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@]1(C)CCCOC1 ZINC000492340254 388341875 /nfs/dbraw/zinc/34/18/75/388341875.db2.gz FKUFHKZXIQYSLY-RNZFLTOJSA-N 0 3 226.320 0.790 20 0 BCADHN C[C@H](NC(=O)/C=C/CN(C)C)c1ncon1 ZINC000492344745 388342111 /nfs/dbraw/zinc/34/21/11/388342111.db2.gz YACAHJCKYJUVGT-ZJELKQJVSA-N 0 3 224.264 0.365 20 0 BCADHN C[C@@H](NC(=O)/C=C/CN(C)C)c1ncon1 ZINC000492344744 388342205 /nfs/dbraw/zinc/34/22/05/388342205.db2.gz YACAHJCKYJUVGT-WTSVBCDHSA-N 0 3 224.264 0.365 20 0 BCADHN COc1cncc(/C=C/C(=O)NCCN(C)C)c1 ZINC000492411667 388343833 /nfs/dbraw/zinc/34/38/33/388343833.db2.gz YPNYWKQATKBCRK-SNAWJCMRSA-N 0 3 249.314 0.781 20 0 BCADHN CC(C)[C@@H](C(=O)N1C[C@H]2[C@H](CO)[C@H]2C1)N(C)C ZINC000646656161 388404207 /nfs/dbraw/zinc/40/42/07/388404207.db2.gz JLXQEPCQNCKITA-QCNOEVLYSA-N 0 3 240.347 0.269 20 0 BCADHN CO[C@H](CN[C@@H]1CCCN(C)C1=O)C1CC1 ZINC000642650691 388344958 /nfs/dbraw/zinc/34/49/58/388344958.db2.gz WHFHOJIUGPOXCR-GHMZBOCLSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@@H](CN[C@H]1CCCN(C)C1=O)C1CC1 ZINC000642650693 388345424 /nfs/dbraw/zinc/34/54/24/388345424.db2.gz WHFHOJIUGPOXCR-QWRGUYRKSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](O)CNCc1ccc2cncn2c1 ZINC000516563647 388347925 /nfs/dbraw/zinc/34/79/25/388347925.db2.gz NPLVFRARNCNMJY-VIFPVBQESA-N 0 3 205.261 0.805 20 0 BCADHN C[C@H](O)CN[C@@H](CO)CC(F)(F)F ZINC000516570268 388349213 /nfs/dbraw/zinc/34/92/13/388349213.db2.gz QDPPTSZPKAAUJC-NTSWFWBYSA-N 0 3 201.188 0.270 20 0 BCADHN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1ccco1 ZINC000573000413 388404622 /nfs/dbraw/zinc/40/46/22/388404622.db2.gz BIPDUTVLTMDBER-MRVPVSSYSA-N 0 3 232.305 0.685 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CCCCC2)C[C@H](C)N1 ZINC000131861522 388353033 /nfs/dbraw/zinc/35/30/33/388353033.db2.gz JBQFACQAFQCAER-PHIMTYICSA-N 0 3 239.363 0.857 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCCO[C@@H](C)C1 ZINC000227070272 388357514 /nfs/dbraw/zinc/35/75/14/388357514.db2.gz ZNFRPOGGXKEUNK-GXSJLCMTSA-N 0 3 231.292 0.021 20 0 BCADHN CCN(CC)CC(=O)N1CC(n2ccnc2)C1 ZINC000524401159 388357816 /nfs/dbraw/zinc/35/78/16/388357816.db2.gz UFOZZOFCUGLWDQ-UHFFFAOYSA-N 0 3 236.319 0.608 20 0 BCADHN COCCNCC(=O)NC[C@@H]1CCCS1 ZINC000087668562 135163450 /nfs/dbraw/zinc/16/34/50/135163450.db2.gz ANQNDFABYRZZJD-VIFPVBQESA-N 0 3 232.349 0.234 20 0 BCADHN C[C@@H](C(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000163359645 388360860 /nfs/dbraw/zinc/36/08/60/388360860.db2.gz BVNTUFKYJLUFOM-SCZZXKLOSA-N 0 3 212.293 0.137 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CCN2)C1 ZINC000234818099 388361216 /nfs/dbraw/zinc/36/12/16/388361216.db2.gz IIBWRBVGXUQREY-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN CC(C)(C)C[C@@H](O)CNC(=O)[C@@H]1NCC1(C)C ZINC000646463935 388361975 /nfs/dbraw/zinc/36/19/75/388361975.db2.gz LXCORRUBSBOABK-ZJUUUORDSA-N 0 3 242.363 0.898 20 0 BCADHN CO[C@H]1CCN(Cc2ccnc(N)c2)C1 ZINC000234903976 388363312 /nfs/dbraw/zinc/36/33/12/388363312.db2.gz LTRQZPCZMQAVGQ-JTQLQIEISA-N 0 3 207.277 0.885 20 0 BCADHN CCOC(=O)CCCN1CC[C@H](CO)[C@H](O)C1 ZINC000572678318 388365112 /nfs/dbraw/zinc/36/51/12/388365112.db2.gz NFGPKOBHKSYASB-GHMZBOCLSA-N 0 3 245.319 0.005 20 0 BCADHN COC1(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000648796059 388366058 /nfs/dbraw/zinc/36/60/58/388366058.db2.gz NNTWIQMMKZWRFL-UWVGGRQHSA-N 0 3 226.320 0.764 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000646659568 388405258 /nfs/dbraw/zinc/40/52/58/388405258.db2.gz KZVGUWMXUIOAHI-URLYPYJESA-N 0 3 226.320 0.023 20 0 BCADHN COC1(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000648796060 388366817 /nfs/dbraw/zinc/36/68/17/388366817.db2.gz NNTWIQMMKZWRFL-VHSXEESVSA-N 0 3 226.320 0.764 20 0 BCADHN CO[C@@H](CN[C@]1(CO)CCOC1)C1CC1 ZINC000400241305 388367684 /nfs/dbraw/zinc/36/76/84/388367684.db2.gz WXGXEOHABDNTLE-QWRGUYRKSA-N 0 3 215.293 0.152 20 0 BCADHN O=C(Nc1cnn(CC2CC2)c1)[C@H]1CCN1 ZINC000646492048 388367771 /nfs/dbraw/zinc/36/77/71/388367771.db2.gz GWBLCZSVTFIQMX-SNVBAGLBSA-N 0 3 220.276 0.594 20 0 BCADHN NC1(C(=O)NCCCn2cccn2)CCC1 ZINC000163860126 388368266 /nfs/dbraw/zinc/36/82/66/388368266.db2.gz HSMBLHCOMKSNSH-UHFFFAOYSA-N 0 3 222.292 0.271 20 0 BCADHN C=Cn1cc(CN2CC[C@@H](O)[C@H]2C)cn1 ZINC000648800697 388373644 /nfs/dbraw/zinc/37/36/44/388373644.db2.gz OHTHQHDXBNVOQF-MWLCHTKSSA-N 0 3 207.277 0.939 20 0 BCADHN NC(=O)[C@H]1CCCN1C[C@@H]1CCCC[C@@H]1O ZINC000573005304 388405531 /nfs/dbraw/zinc/40/55/31/388405531.db2.gz LBHISFANAJODHM-AXFHLTTASA-N 0 3 226.320 0.487 20 0 BCADHN CO[C@H]1COC[C@@H]1NCCc1ccncc1 ZINC000290219944 388376105 /nfs/dbraw/zinc/37/61/05/388376105.db2.gz WHRYKSMTKARQTD-RYUDHWBXSA-N 0 3 222.288 0.628 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000646534752 388378100 /nfs/dbraw/zinc/37/81/00/388378100.db2.gz QOMNQDZWACIPRC-AXFHLTTASA-N 0 3 242.363 0.979 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000646534753 388378125 /nfs/dbraw/zinc/37/81/25/388378125.db2.gz QOMNQDZWACIPRC-GMTAPVOTSA-N 0 3 242.363 0.979 20 0 BCADHN O=C(C(F)F)N1CC[C@@H](N2CCCC2)C1 ZINC000236132606 388378650 /nfs/dbraw/zinc/37/86/50/388378650.db2.gz AYNMLTKIVWJGRU-MRVPVSSYSA-N 0 3 218.247 0.948 20 0 BCADHN CC[C@H](C(=O)NC[C@](C)(O)CC)N(C)C ZINC000165564031 388405861 /nfs/dbraw/zinc/40/58/61/388405861.db2.gz FGOKLXFDCSKQSW-MWLCHTKSSA-N 0 3 216.325 0.604 20 0 BCADHN COC[C@@](C)(O)CNC(=O)[C@H](C(C)C)N(C)C ZINC000524747816 388407011 /nfs/dbraw/zinc/40/70/11/388407011.db2.gz MMBDZLSCLGGASS-JQWIXIFHSA-N 0 3 246.351 0.086 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCCC(=O)N(C)C ZINC000236738879 388382906 /nfs/dbraw/zinc/38/29/06/388382906.db2.gz XLUJSUDOTDIVLC-SNVBAGLBSA-N 0 3 243.351 0.489 20 0 BCADHN CC[C@@H](N)c1cn(C[C@@H](O)C(C)C)nn1 ZINC000300913330 388383588 /nfs/dbraw/zinc/38/35/88/388383588.db2.gz SDKATMFECVQXRK-PSASIEDQSA-N 0 3 212.297 0.705 20 0 BCADHN CCCC[C@H](N)C(=O)NCC(=O)NCC1CC1 ZINC000236787362 388383622 /nfs/dbraw/zinc/38/36/22/388383622.db2.gz AJFCAJAQFOWLFU-JTQLQIEISA-N 0 3 241.335 0.146 20 0 BCADHN CC[C@@H](N)c1cn(C[C@H](O)C(C)C)nn1 ZINC000300913334 388383692 /nfs/dbraw/zinc/38/36/92/388383692.db2.gz SDKATMFECVQXRK-SCZZXKLOSA-N 0 3 212.297 0.705 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)[C@@H](N)[C@@H](C)CC ZINC000236865442 388384216 /nfs/dbraw/zinc/38/42/16/388384216.db2.gz RIPCGUXQUGMDKO-RCWTZXSCSA-N 0 3 230.352 0.883 20 0 BCADHN CCO[C@H](C)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000236908891 388385501 /nfs/dbraw/zinc/38/55/01/388385501.db2.gz LAPVOASQCDTALD-KXUCPTDWSA-N 0 3 214.309 0.620 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000236907503 388385571 /nfs/dbraw/zinc/38/55/71/388385571.db2.gz SNBRLCANBHUBIH-JBLDHEPKSA-N 0 3 228.336 0.781 20 0 BCADHN O=C1NCC[C@@]12CCCN2CCCCCO ZINC000572896433 388385859 /nfs/dbraw/zinc/38/58/59/388385859.db2.gz QVQAYQBQIJKKTR-LBPRGKRZSA-N 0 3 226.320 0.504 20 0 BCADHN CC[C@@H](NC(=O)CN)c1c(C)nn(C)c1C ZINC000236898571 388386096 /nfs/dbraw/zinc/38/60/96/388386096.db2.gz WCFJLYHOZQUJAR-SECBINFHSA-N 0 3 224.308 0.563 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC ZINC000236885180 388386174 /nfs/dbraw/zinc/38/61/74/388386174.db2.gz KNUYNTOHCWEVOG-VGMNWLOBSA-N 0 3 229.324 0.143 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)OC ZINC000236914825 388386652 /nfs/dbraw/zinc/38/66/52/388386652.db2.gz UHEBDEUTSNXOEN-YIZRAAEISA-N 0 3 230.308 0.428 20 0 BCADHN CC[C@H](N)C(=O)NCc1nc2ccccc2[nH]1 ZINC000236921491 388386840 /nfs/dbraw/zinc/38/68/40/388386840.db2.gz SHQDYCNIGKSVJQ-QMMMGPOBSA-N 0 3 232.287 0.916 20 0 BCADHN CCOC[C@H]1CCN(C(=O)[C@@H](N)CC)C1 ZINC000236976834 388387930 /nfs/dbraw/zinc/38/79/30/388387930.db2.gz QFTIPKDOSIJDPM-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)c1cnn(C)c1 ZINC000236969022 388388074 /nfs/dbraw/zinc/38/80/74/388388074.db2.gz YCVGMMSVFYEAHR-KKZNHRDASA-N 0 3 238.335 0.971 20 0 BCADHN CN(C)CCNC(=O)CCc1ccon1 ZINC000646578586 388388612 /nfs/dbraw/zinc/38/86/12/388388612.db2.gz PCBARWALHVLTRX-UHFFFAOYSA-N 0 3 211.265 0.285 20 0 BCADHN CN1C(=O)CC[C@H]1C(=O)Nc1cccc(CN)c1 ZINC000646579420 388388816 /nfs/dbraw/zinc/38/88/16/388388816.db2.gz GKRQVZPETQQPGZ-NSHDSACASA-N 0 3 247.298 0.705 20 0 BCADHN CNC(=O)CC(=O)Nc1cccc(CN)c1 ZINC000646580141 388389413 /nfs/dbraw/zinc/38/94/13/388389413.db2.gz ZCVUEIWXQDAVFZ-UHFFFAOYSA-N 0 3 221.260 0.220 20 0 BCADHN CN(CC1CC1)C(=O)CNC[C@H]1CCCO1 ZINC000237184656 388390485 /nfs/dbraw/zinc/39/04/85/388390485.db2.gz REEOXKFQDDSEGW-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN COC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000193024592 388391133 /nfs/dbraw/zinc/39/11/33/388391133.db2.gz RAMZSEIUNKGLIN-RFZPGFLSSA-N 0 3 225.166 0.617 20 0 BCADHN COCCn1ccc(NC(=O)CNC2CC2)n1 ZINC000237136608 388391165 /nfs/dbraw/zinc/39/11/65/388391165.db2.gz GDRCKMUGHMGWQH-UHFFFAOYSA-N 0 3 238.291 0.220 20 0 BCADHN CC(C)[C@H](N)c1cn(CC[C@@H](C)O)nn1 ZINC000300962961 388395846 /nfs/dbraw/zinc/39/58/46/388395846.db2.gz REKXFTXJKONBKT-SCZZXKLOSA-N 0 3 212.297 0.705 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H](O)C1CCC1 ZINC000316175400 388407072 /nfs/dbraw/zinc/40/70/72/388407072.db2.gz MLMXACIGWYPVRP-GFCCVEGCSA-N 0 3 223.320 0.979 20 0 BCADHN CCOCC[C@@H](O)CN[C@@H](CO)CC(F)F ZINC000572960469 388398003 /nfs/dbraw/zinc/39/80/03/388398003.db2.gz AQQAXSFHQMXGJU-RKDXNWHRSA-N 0 3 241.278 0.380 20 0 BCADHN Cc1ccnc(NC(=O)[C@H]2C[C@@H](O)CN2)c1 ZINC000237779279 388398194 /nfs/dbraw/zinc/39/81/94/388398194.db2.gz AMNSVLKSIWXPTG-RKDXNWHRSA-N 0 3 221.260 0.051 20 0 BCADHN CCOCC[C@H](O)CN[C@@H](CO)CC(F)F ZINC000572960466 388399620 /nfs/dbraw/zinc/39/96/20/388399620.db2.gz AQQAXSFHQMXGJU-BDAKNGLRSA-N 0 3 241.278 0.380 20 0 BCADHN CCO[C@H]1C[C@@H]1NC(=O)NC[C@H](C)N(C)C ZINC000520517046 256674593 /nfs/dbraw/zinc/67/45/93/256674593.db2.gz QPXDMEKOOIUPLO-GUBZILKMSA-N 0 3 229.324 0.413 20 0 BCADHN O[C@@H](CN1CCCOCC1)CC1(O)CCC1 ZINC000528367039 388401913 /nfs/dbraw/zinc/40/19/13/388401913.db2.gz VSFWKGKTSGKFGR-LLVKDONJSA-N 0 3 229.320 0.375 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCOC[C@@H]2C)C1 ZINC000572984363 388402355 /nfs/dbraw/zinc/40/23/55/388402355.db2.gz AZEJGHGWRSUEAJ-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN Cc1nc2n(n1)CCN(C(=O)/C=C\CN(C)C)C2 ZINC000492061136 388333333 /nfs/dbraw/zinc/33/33/33/388333333.db2.gz YHBGEWWFDRINCC-PLNGDYQASA-N 0 3 249.318 0.047 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@]1(C)CCCO1 ZINC000492058740 388333380 /nfs/dbraw/zinc/33/33/80/388333380.db2.gz PZSYRSZTKXYNIS-FUEXJSSKSA-N 0 3 226.320 0.790 20 0 BCADHN CN(C)C/C=C/C(=O)NCc1ccc[nH]1 ZINC000492071755 388333665 /nfs/dbraw/zinc/33/36/65/388333665.db2.gz GVTSXOYTWKQUDN-GQCTYLIASA-N 0 3 207.277 0.749 20 0 BCADHN CC[C@@H](O)CCCNC(=O)/C=C\CN(C)C ZINC000492091657 388334459 /nfs/dbraw/zinc/33/44/59/388334459.db2.gz ZQQCHEKQFQLJQV-BPOWMSRESA-N 0 3 228.336 0.772 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)/C=C\CN(C)C ZINC000492102908 388335040 /nfs/dbraw/zinc/33/50/40/388335040.db2.gz JVARPAVDNZXUSL-JYESYGNLSA-N 0 3 242.319 0.420 20 0 BCADHN CN(C)C/C=C\C(=O)NCc1cccc(CO)c1 ZINC000492118700 388335657 /nfs/dbraw/zinc/33/56/57/388335657.db2.gz ZSWSITIMISMBOC-DAXSKMNVSA-N 0 3 248.326 0.913 20 0 BCADHN CCC[C@@H](O)CNC(=O)/C=C\CN(C)C ZINC000492139574 388336420 /nfs/dbraw/zinc/33/64/20/388336420.db2.gz WGOOXSZAKGKMFW-ONRRBMGISA-N 0 3 214.309 0.381 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000492140237 388336451 /nfs/dbraw/zinc/33/64/51/388336451.db2.gz PTGWNPMMXKJLBQ-ONEGZZNKSA-N 0 3 236.275 0.170 20 0 BCADHN COCC1(NC(=O)/C=C\CN(C)C)CC1 ZINC000492152665 388336670 /nfs/dbraw/zinc/33/66/70/388336670.db2.gz DIRQESSDYGNBBK-PLNGDYQASA-N 0 3 212.293 0.399 20 0 BCADHN CC[C@@H](CCO)CNC(=O)/C=C\CN(C)C ZINC000492169555 388337197 /nfs/dbraw/zinc/33/71/97/388337197.db2.gz MQSSQEXDKNAWTR-GZTOBOFZSA-N 0 3 228.336 0.629 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000492169083 388337290 /nfs/dbraw/zinc/33/72/90/388337290.db2.gz LKZGCKLCNWEXOD-DLRQAJBASA-N 0 3 248.330 0.501 20 0 BCADHN CC(C)[C@H](O)CNC(=O)/C=C/CN(C)C ZINC000492203791 388338181 /nfs/dbraw/zinc/33/81/81/388338181.db2.gz VDCYKMLLRSLFAX-BRAIEQGRSA-N 0 3 214.309 0.237 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1C(=O)/C=C/CN(C)C ZINC000492207975 388338202 /nfs/dbraw/zinc/33/82/02/388338202.db2.gz LREBPOOCPJXNFZ-YILIYONBSA-N 0 3 240.347 0.866 20 0 BCADHN CC(C)[C@@H](O)CNC(=O)/C=C/CN(C)C ZINC000492203793 388338299 /nfs/dbraw/zinc/33/82/99/388338299.db2.gz VDCYKMLLRSLFAX-PORFMDCZSA-N 0 3 214.309 0.237 20 0 BCADHN C[C@H](CCO)CNC(=O)/C=C\CN(C)C ZINC000492216710 388338396 /nfs/dbraw/zinc/33/83/96/388338396.db2.gz GNXBLHFQHWFXRB-UMCURTJPSA-N 0 3 214.309 0.239 20 0 BCADHN C[C@@H](CCO)CNC(=O)/C=C/CN(C)C ZINC000492216711 388338469 /nfs/dbraw/zinc/33/84/69/388338469.db2.gz GNXBLHFQHWFXRB-YEZKRMTDSA-N 0 3 214.309 0.239 20 0 BCADHN COC[C@H](C)CN1CCN2C(=O)OCC[C@@H]2C1 ZINC000492230336 388338635 /nfs/dbraw/zinc/33/86/35/388338635.db2.gz UDVKXCPDQRKCGZ-GHMZBOCLSA-N 0 3 242.319 0.795 20 0 BCADHN CN(C)CCNC(=O)/C=C/c1cscn1 ZINC000492238522 388338949 /nfs/dbraw/zinc/33/89/49/388338949.db2.gz ITNOEAYXSJNKSO-ONEGZZNKSA-N 0 3 225.317 0.834 20 0 BCADHN Cc1cnc(CCNC(=O)/C=C\CN(C)C)nc1 ZINC000492248496 388339295 /nfs/dbraw/zinc/33/92/95/388339295.db2.gz NERCLOQLCWATOC-PLNGDYQASA-N 0 3 248.330 0.562 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000492249715 388339360 /nfs/dbraw/zinc/33/93/60/388339360.db2.gz GVDXRXPDIXDOAJ-MJKAUQOVSA-N 0 3 224.304 0.157 20 0 BCADHN C[C@H](CN1CC[C@H](O)C1)NC(=O)OC(C)(C)C ZINC000492259350 388339651 /nfs/dbraw/zinc/33/96/51/388339651.db2.gz PNBYFHKRFTZYMH-ZJUUUORDSA-N 0 3 244.335 0.966 20 0 BCADHN CNC(=O)[C@H](N[C@@H]1CCSC1)C(C)C ZINC000134878906 388480352 /nfs/dbraw/zinc/48/03/52/388480352.db2.gz HJXIWHXDGMSINO-RKDXNWHRSA-N 0 3 216.350 0.852 20 0 BCADHN COC(=O)CNC(C)(C)CN1CCCC1 ZINC000308576962 388443415 /nfs/dbraw/zinc/44/34/15/388443415.db2.gz JURSSVKIDCKNIE-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN Cc1cc(CN)cc(NC(=O)[C@@H]2CCC(=O)N2)c1 ZINC000322750838 388445615 /nfs/dbraw/zinc/44/56/15/388445615.db2.gz XFYWETJYXNNUAN-NSHDSACASA-N 0 3 247.298 0.671 20 0 BCADHN CN(C)CC(C)(C)NCC(=O)NC1CC1 ZINC000308632531 388445778 /nfs/dbraw/zinc/44/57/78/388445778.db2.gz QMERUZLNTOUEBY-UHFFFAOYSA-N 0 3 213.325 0.195 20 0 BCADHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000335210020 388449310 /nfs/dbraw/zinc/44/93/10/388449310.db2.gz YKYHHLZPPRLXPO-BQBZGAKWSA-N 0 3 234.346 0.762 20 0 BCADHN Cc1cc(NC(=O)[C@@H](N)C2CCC2)ccn1 ZINC000335192417 388449318 /nfs/dbraw/zinc/44/93/18/388449318.db2.gz HXOJJDJZUVVQAY-NSHDSACASA-N 0 3 219.288 0.878 20 0 BCADHN C[C@@H](O)CN1CCC(F)(F)[C@@H](CO)C1 ZINC000339207057 388480760 /nfs/dbraw/zinc/48/07/60/388480760.db2.gz BBLRTOAHTBELDN-HTQZYQBOSA-N 0 3 209.236 0.317 20 0 BCADHN CC[C@H](O)CN1CCC(F)(F)[C@@H](CO)C1 ZINC000339207135 388480810 /nfs/dbraw/zinc/48/08/10/388480810.db2.gz FYGMSUXQBXRFND-BDAKNGLRSA-N 0 3 223.263 0.707 20 0 BCADHN C[C@@H]1[C@@H](CO)CCN1CC(=O)N1CCCC1 ZINC000335711324 388454414 /nfs/dbraw/zinc/45/44/14/388454414.db2.gz JNCHIPLDBXDMHZ-GHMZBOCLSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C(=O)C1CCN(C)CC1 ZINC000649199993 388456084 /nfs/dbraw/zinc/45/60/84/388456084.db2.gz USIRULBETYYUOS-ZYHUDNBSSA-N 0 3 240.347 0.700 20 0 BCADHN CN(C)CCNC(=O)C[C@@H]1CCCCO1 ZINC000062065920 388460035 /nfs/dbraw/zinc/46/00/35/388460035.db2.gz VBYACEABWBKCLP-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CCOCCNC(=O)[C@@H](N)CC(F)F ZINC000336703210 388465542 /nfs/dbraw/zinc/46/55/42/388465542.db2.gz ZGLHPXYCQQJEQA-LURJTMIESA-N 0 3 210.224 0.122 20 0 BCADHN CCc1nn(C)cc1CN[C@H]1C[C@@H](O)C1 ZINC000648848430 388468633 /nfs/dbraw/zinc/46/86/33/388468633.db2.gz QALRWJXAEIIXQI-AOOOYVTPSA-N 0 3 209.293 0.595 20 0 BCADHN C[C@@H]1[C@H](C(=O)NCC(=O)C2CC2)CCN1C ZINC000648850263 388469456 /nfs/dbraw/zinc/46/94/56/388469456.db2.gz NQOWMOXOTRASSW-PSASIEDQSA-N 0 3 224.304 0.422 20 0 BCADHN C/C=C\C[C@H](CO)N[C@H](C)CS(=O)(=O)CC ZINC000309973867 388470770 /nfs/dbraw/zinc/47/07/70/388470770.db2.gz RFBSAKHMQKRNOD-DPIUTZRQSA-N 0 3 249.376 0.726 20 0 BCADHN O[C@H](CNc1cnccn1)CN1CCCCC1 ZINC000193949976 388471452 /nfs/dbraw/zinc/47/14/52/388471452.db2.gz IHFRQGZNEXZVRC-LLVKDONJSA-N 0 3 236.319 0.735 20 0 BCADHN CN1CCC(O)(CNC(=O)[C@@H]2CC2(C)C)CC1 ZINC000337589023 388472906 /nfs/dbraw/zinc/47/29/06/388472906.db2.gz GOEBFFLALLSUKG-JTQLQIEISA-N 0 3 240.347 0.605 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@@H]1CCCO1 ZINC000193973977 388474155 /nfs/dbraw/zinc/47/41/55/388474155.db2.gz YIVCNIDVESJBTD-UWVGGRQHSA-N 0 3 212.293 0.376 20 0 BCADHN Cc1nn(C)cc1CNC[C@H](O)C1CCC1 ZINC000316175403 388407258 /nfs/dbraw/zinc/40/72/58/388407258.db2.gz MLMXACIGWYPVRP-LBPRGKRZSA-N 0 3 223.320 0.979 20 0 BCADHN Cc1cc(C(=O)NCCN2CC[C@H](C)C2)[nH]n1 ZINC000524775722 388409174 /nfs/dbraw/zinc/40/91/74/388409174.db2.gz ZTAWHWVFDGSIJL-VIFPVBQESA-N 0 3 236.319 0.790 20 0 BCADHN CO[C@@H](C)C(=O)NCCN1CC[C@H](C)C1 ZINC000524774567 388409419 /nfs/dbraw/zinc/40/94/19/388409419.db2.gz OZINCIZFZRUWDU-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)[C@H]1CCOC1 ZINC000134687946 388478819 /nfs/dbraw/zinc/47/88/19/388478819.db2.gz JABYSKBANMQBMD-ONGXEEELSA-N 0 3 214.309 0.751 20 0 BCADHN COC1(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000648822151 388414114 /nfs/dbraw/zinc/41/41/14/388414114.db2.gz MAJZUAISAZKFSH-GXSJLCMTSA-N 0 3 238.331 0.764 20 0 BCADHN CC(C(=O)N1CCC[C@H]1C)S(C)(=O)=O ZINC000173132671 388414272 /nfs/dbraw/zinc/41/42/72/388414272.db2.gz PVYQZYISLLAJLK-HTQZYQBOSA-N 0 3 219.306 0.430 20 0 BCADHN OC[C@@H]1CN(C[C@@H](O)CC2CCCC2)C[C@@H]1O ZINC000316511702 388415795 /nfs/dbraw/zinc/41/57/95/388415795.db2.gz NIYGTKUWOVQEIZ-AVGNSLFASA-N 0 3 243.347 0.213 20 0 BCADHN CC(C(=O)N[C@@H]1C[C@H]1C1CCC1)S(C)(=O)=O ZINC000573112068 388421119 /nfs/dbraw/zinc/42/11/19/388421119.db2.gz HPZSNOCGFZFJLS-UJNFCWOMSA-N 0 3 245.344 0.724 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000513304346 388422164 /nfs/dbraw/zinc/42/21/64/388422164.db2.gz XGFMHEVVIOBBEC-IJLUTSLNSA-N 0 3 242.363 0.944 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000513299524 388422457 /nfs/dbraw/zinc/42/24/57/388422457.db2.gz XBYYDQZBWUFGMT-SDDRHHMPSA-N 0 3 242.363 0.802 20 0 BCADHN C[C@H]1CCN(CCNC(=O)C2CCOCC2)C1 ZINC000525292418 388424234 /nfs/dbraw/zinc/42/42/34/388424234.db2.gz PEXTYXCWFXOICK-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN Cc1nnc(NC(=O)[C@@H](C)NC2CC2)s1 ZINC000296550704 388424309 /nfs/dbraw/zinc/42/43/09/388424309.db2.gz UNORNQBHROIWKB-RXMQYKEDSA-N 0 3 226.305 0.926 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCc1[nH]ncc1C ZINC000648832152 388424709 /nfs/dbraw/zinc/42/47/09/388424709.db2.gz RNDXEYRTRFDXHN-GHMZBOCLSA-N 0 3 225.292 0.612 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2cnc[nH]2)C1 ZINC000525291063 388424855 /nfs/dbraw/zinc/42/48/55/388424855.db2.gz FXWABICTZCPARK-VIFPVBQESA-N 0 3 222.292 0.481 20 0 BCADHN COc1nccc(CN[C@@H](CO)C(C)(C)C)n1 ZINC000297059235 388427425 /nfs/dbraw/zinc/42/74/25/388427425.db2.gz YYRUKPSSAZYBEO-JTQLQIEISA-N 0 3 239.319 0.982 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CC=CCC2)C[C@@H](C(N)=O)O1 ZINC000245683324 388427723 /nfs/dbraw/zinc/42/77/23/388427723.db2.gz ABZRFSJHDVBKBH-UTUOFQBUSA-N 0 3 238.331 0.917 20 0 BCADHN Cc1noc(CN2CCO[C@H](CN(C)C)C2)n1 ZINC000070015946 388431819 /nfs/dbraw/zinc/43/18/19/388431819.db2.gz DEEOAQCXZJVGIK-SNVBAGLBSA-N 0 3 240.307 0.140 20 0 BCADHN CCO[C@@H]1C[C@H](NC[C@H](O)CSC)[C@H]1OC ZINC000514857093 256722762 /nfs/dbraw/zinc/72/27/62/256722762.db2.gz WONFOMCVNSFGPS-UKKRHICBSA-N 0 3 249.376 0.492 20 0 BCADHN CN[C@@H](C)C(=O)NCC(=O)Nc1ccccc1 ZINC000573220123 388434077 /nfs/dbraw/zinc/43/40/77/388434077.db2.gz YUTSOYVTJVHBDV-VIFPVBQESA-N 0 3 235.287 0.349 20 0 BCADHN CCOC[C@@H](C)N[C@@H](C(=O)NC)C(C)C ZINC000134830214 388480079 /nfs/dbraw/zinc/48/00/79/388480079.db2.gz ZDSDMRNLZAGNFH-NXEZZACHSA-N 0 3 216.325 0.772 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@H]1CCCCNC1=O ZINC000245971665 388436243 /nfs/dbraw/zinc/43/62/43/388436243.db2.gz VXBBXZFQDIILJJ-GUBZILKMSA-N 0 3 212.293 0.422 20 0 BCADHN CO[C@H]1C[C@@H](NCC(=O)NC2CC2)C12CCC2 ZINC000308394272 388438049 /nfs/dbraw/zinc/43/80/49/388438049.db2.gz NVBFNNDZOMGPTN-MNOVXSKESA-N 0 3 238.331 0.812 20 0 BCADHN COC[C@H]1CCN1C[C@@H](O)CC1(O)CCC1 ZINC000528510656 388538348 /nfs/dbraw/zinc/53/83/48/388538348.db2.gz DNZDMRXARJCVAS-MNOVXSKESA-N 0 3 229.320 0.373 20 0 BCADHN Cc1cnn(C)c1CNCCc1ccn(C)n1 ZINC000352734118 388538925 /nfs/dbraw/zinc/53/89/25/388538925.db2.gz VXOOPGMYNCFJTM-UHFFFAOYSA-N 0 3 233.319 0.794 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCC(C)(C)CO)C1 ZINC000516491208 256776523 /nfs/dbraw/zinc/77/65/23/256776523.db2.gz YHBMCDSBMZCNFG-LLVKDONJSA-N 0 3 242.363 0.853 20 0 BCADHN Cc1n[nH]c(C(=O)NCCc2cncn2C)c1C ZINC000548460544 388540670 /nfs/dbraw/zinc/54/06/70/388540670.db2.gz CXEFRJCMDGBVTK-UHFFFAOYSA-N 0 3 247.302 0.733 20 0 BCADHN CCCN(CCNS(C)(=O)=O)C(C)C ZINC000517172104 388541089 /nfs/dbraw/zinc/54/10/89/388541089.db2.gz TWRHBXWYPYVOII-UHFFFAOYSA-N 0 3 222.354 0.656 20 0 BCADHN CSC[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000517191362 388541395 /nfs/dbraw/zinc/54/13/95/388541395.db2.gz IKCITAMWNXKEFY-GUBZILKMSA-N 0 3 246.376 0.119 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1nccs1 ZINC000353470313 388542408 /nfs/dbraw/zinc/54/24/08/388542408.db2.gz QODLGYFNGXRODA-SSDOTTSWSA-N 0 3 229.305 0.075 20 0 BCADHN CSCC[C@@H](N)C(=O)N(C)Cc1cc[nH]n1 ZINC000353665180 388542914 /nfs/dbraw/zinc/54/29/14/388542914.db2.gz RLROJSONRYUTCK-SECBINFHSA-N 0 3 242.348 0.449 20 0 BCADHN CCC(CC)CC(=O)N1CCN(C)C[C@@H]1CN ZINC000517234596 388543105 /nfs/dbraw/zinc/54/31/05/388543105.db2.gz MBCLFBKGCDJUJM-LBPRGKRZSA-N 0 3 241.379 0.914 20 0 BCADHN COC[C@H](N[C@@H](C)C(=O)NC1CC1)C1CC1 ZINC000136627652 388543645 /nfs/dbraw/zinc/54/36/45/388543645.db2.gz ZAGUBSMJPGVEJL-KWQFWETISA-N 0 3 226.320 0.668 20 0 BCADHN CC[C@@H](N[C@H](COC)C1CC1)C(N)=O ZINC000136648385 388544367 /nfs/dbraw/zinc/54/43/67/388544367.db2.gz RVPVULBMRWXAOX-RKDXNWHRSA-N 0 3 200.282 0.265 20 0 BCADHN CN1CCC[C@H](N2C[C@@H](O)C(C)(C)C2)C1=O ZINC000517278508 388546736 /nfs/dbraw/zinc/54/67/36/388546736.db2.gz HPKDVVFCQFBRNU-VHSXEESVSA-N 0 3 226.320 0.310 20 0 BCADHN CN1CCC[C@@H](N2C[C@@H](O)C(C)(C)C2)C1=O ZINC000517278506 388546931 /nfs/dbraw/zinc/54/69/31/388546931.db2.gz HPKDVVFCQFBRNU-NXEZZACHSA-N 0 3 226.320 0.310 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)C1 ZINC000517375385 388548089 /nfs/dbraw/zinc/54/80/89/388548089.db2.gz VUGDRJCHFDKBNV-WDEREUQCSA-N 0 3 238.331 0.956 20 0 BCADHN Cn1cc(CC(=O)N2CCNCC2(C)C)cn1 ZINC000649273624 388484621 /nfs/dbraw/zinc/48/46/21/388484621.db2.gz XBHOSIYNSGCLAQ-UHFFFAOYSA-N 0 3 236.319 0.173 20 0 BCADHN CC1(C)CNCCN1C(=O)COc1cccnc1 ZINC000649273658 388484736 /nfs/dbraw/zinc/48/47/36/388484736.db2.gz ZREFIPZJEROFFI-UHFFFAOYSA-N 0 3 249.314 0.671 20 0 BCADHN CCN(CC)CC(=O)N1CCNCC1(C)C ZINC000649273616 388485031 /nfs/dbraw/zinc/48/50/31/388485031.db2.gz WWFUOFYJFNJQAL-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN COC1(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)CC1 ZINC000648911791 388488720 /nfs/dbraw/zinc/48/87/20/388488720.db2.gz SGRKAYMSDGXOQO-ZJUUUORDSA-N 0 3 224.304 0.328 20 0 BCADHN CN(CCO)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000177843517 388492427 /nfs/dbraw/zinc/49/24/27/388492427.db2.gz QLRCEYFJLSTYGH-JTQLQIEISA-N 0 3 244.335 0.920 20 0 BCADHN Cn1nnnc1N1CC[C@H](N2CCCCC2)C1 ZINC000517389311 388548718 /nfs/dbraw/zinc/54/87/18/388548718.db2.gz BMUPAZKYOVZHCV-JTQLQIEISA-N 0 3 236.323 0.275 20 0 BCADHN CCC[C@H](C)NC(=O)[C@@H](C)N1CCNCC1 ZINC000034939718 388493096 /nfs/dbraw/zinc/49/30/96/388493096.db2.gz VWKFYHTWPDJAFU-WDEREUQCSA-N 0 3 227.352 0.585 20 0 BCADHN COC(=O)[C@@H](O)C1CCN(CCCCO)CC1 ZINC000135363849 388493399 /nfs/dbraw/zinc/49/33/99/388493399.db2.gz VEEQZVSUUOVBLY-NSHDSACASA-N 0 3 245.319 0.005 20 0 BCADHN CCCCNC(=O)[C@H](C)N1C[C@@H](CC)[C@H](O)C1 ZINC000341021059 388494048 /nfs/dbraw/zinc/49/40/48/388494048.db2.gz ABMHUQUMIVVKOG-QJPTWQEYSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H]1CN(CC(=O)N(C)C2CC2)C[C@@H]1O ZINC000341023600 388494293 /nfs/dbraw/zinc/49/42/93/388494293.db2.gz SMHXZVFINMDLLR-ONGXEEELSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@H](NCC1=CCCOC1)C(=O)N1CCCC1 ZINC000341472657 388495477 /nfs/dbraw/zinc/49/54/77/388495477.db2.gz WDTVLXFFVIIOKQ-NSHDSACASA-N 0 3 238.331 0.934 20 0 BCADHN CN1CC=C(CNC(=O)N[C@@H]2CCOC2)CC1 ZINC000343717626 388501978 /nfs/dbraw/zinc/50/19/78/388501978.db2.gz QQMOKCPMVPHKIZ-LLVKDONJSA-N 0 3 239.319 0.336 20 0 BCADHN COC(=O)[C@](C)(O)CN1CC=C(C)CC1 ZINC000343709181 388502569 /nfs/dbraw/zinc/50/25/69/388502569.db2.gz CYQCCMWGVFLRGG-LLVKDONJSA-N 0 3 213.277 0.562 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)N(CCN(C)C)C(C)C ZINC000178596152 388502829 /nfs/dbraw/zinc/50/28/29/388502829.db2.gz HPFGPEZYHRAOIR-JTQLQIEISA-N 0 3 243.351 0.310 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC=C(C)C1 ZINC000343943798 388504087 /nfs/dbraw/zinc/50/40/87/388504087.db2.gz ADJKHXDXAYPXKE-LLVKDONJSA-N 0 3 213.277 0.562 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397842704 388505236 /nfs/dbraw/zinc/50/52/36/388505236.db2.gz WLSZJDWWPXWYCP-LMLFDSFASA-N 0 3 224.304 0.280 20 0 BCADHN CCCNC(=O)[C@H](C)N(C)C[C@@H]1CCOC1 ZINC000178778172 388505600 /nfs/dbraw/zinc/50/56/00/388505600.db2.gz VRGCIYHVRSFKQI-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN C/C(Cl)=C/CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000528515508 388509056 /nfs/dbraw/zinc/50/90/56/388509056.db2.gz BIHYSZIGLAXGKW-SUBKEKBDSA-N 0 3 228.679 0.333 20 0 BCADHN C[C@@H]1C[C@H](C)N1CCCN1C(=O)CNC1=O ZINC000548096327 388510575 /nfs/dbraw/zinc/51/05/75/388510575.db2.gz TYBXLWYPICTRJF-DTORHVGOSA-N 0 3 225.292 0.411 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC[C@](C)(O)C2)C1 ZINC000516672305 388512778 /nfs/dbraw/zinc/51/27/78/388512778.db2.gz LLJMZLWSYYSWRM-PWSUYJOCSA-N 0 3 226.320 0.312 20 0 BCADHN CC[C@H]1CN(CC)CCN1Cc1nncn1C ZINC000516716101 388515103 /nfs/dbraw/zinc/51/51/03/388515103.db2.gz MMODRQMPLCAYSD-NSHDSACASA-N 0 3 237.351 0.731 20 0 BCADHN N[C@H](CC(F)F)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000516767072 388516296 /nfs/dbraw/zinc/51/62/96/388516296.db2.gz QEVJUCKKAKOPNT-HRDYMLBCSA-N 0 3 247.289 0.322 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)NCC1CCC1 ZINC000564341806 388517407 /nfs/dbraw/zinc/51/74/07/388517407.db2.gz DAWBSKGDISATGW-WDEREUQCSA-N 0 3 240.347 0.652 20 0 BCADHN CO[C@@H](CNCC(=O)N(C)C)C1CC1 ZINC000378839572 388520130 /nfs/dbraw/zinc/52/01/30/388520130.db2.gz OIEGFQWLZKGFQY-VIFPVBQESA-N 0 3 200.282 0.089 20 0 BCADHN C[C@H](CNC(=O)C(C)(C)CO)N(C)C1CC1 ZINC000548193860 388521029 /nfs/dbraw/zinc/52/10/29/388521029.db2.gz CZDLYIMZVAEWEW-SECBINFHSA-N 0 3 228.336 0.604 20 0 BCADHN O[C@@H]1CN(CCOC[C@@H]2CCCO2)CC12CC2 ZINC000548626391 388549841 /nfs/dbraw/zinc/54/98/41/388549841.db2.gz NXZSJMYATOSHSP-NWDGAFQWSA-N 0 3 241.331 0.639 20 0 BCADHN CCO[C@@H]1COCC[C@H]1NCC(=O)N1CCC1 ZINC000548211587 388521821 /nfs/dbraw/zinc/52/18/21/388521821.db2.gz XFQHBRWTYFNMEM-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN C[C@H](NC(=O)C1(N)CCCC1)c1ncon1 ZINC000347639098 388522863 /nfs/dbraw/zinc/52/28/63/388522863.db2.gz CEZSJPRBVQJVRO-ZETCQYMHSA-N 0 3 224.264 0.518 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C(=O)C[C@H]1CNCCO1 ZINC000347696317 388522882 /nfs/dbraw/zinc/52/28/82/388522882.db2.gz PPSBPHOAHAFOJK-VWYCJHECSA-N 0 3 242.319 0.001 20 0 BCADHN COC[C@@H](NC(=O)[C@@H](N)CC(F)F)C1CC1 ZINC000347674575 388523113 /nfs/dbraw/zinc/52/31/13/388523113.db2.gz SAJXPAWWAQFMGN-JGVFFNPUSA-N 0 3 236.262 0.510 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H](OC)C1)N(C)C ZINC000178018511 388524078 /nfs/dbraw/zinc/52/40/78/388524078.db2.gz ZYGAWDVQNBIARM-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H](N(C)CC(=O)N(C)C)C(C)(C)O ZINC000347731464 388524432 /nfs/dbraw/zinc/52/44/32/388524432.db2.gz TUUWFAYKYKKMFY-MRVPVSSYSA-N 0 3 202.298 0.166 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cccc2c1CCN2 ZINC000516921459 388524981 /nfs/dbraw/zinc/52/49/81/388524981.db2.gz FENJPXUJYVAYBL-LLVKDONJSA-N 0 3 235.287 0.567 20 0 BCADHN CNCC(=O)N[C@@H](C(=O)OC)C1CCCCC1 ZINC000516927920 388525246 /nfs/dbraw/zinc/52/52/46/388525246.db2.gz VKJDMSQDKYAQKR-LLVKDONJSA-N 0 3 242.319 0.444 20 0 BCADHN CNC(=O)[C@H]1CN(CC2CC(C)(C)C2)CCO1 ZINC000528441907 388526416 /nfs/dbraw/zinc/52/64/16/388526416.db2.gz LLLCJMMHFXVGDM-LLVKDONJSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N(C)CCCCO ZINC000349954276 388528866 /nfs/dbraw/zinc/52/88/66/388528866.db2.gz KCSLZPONWUFGSN-JTQLQIEISA-N 0 3 230.352 0.994 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)C2)CCN1C ZINC000516971613 388529996 /nfs/dbraw/zinc/52/99/96/388529996.db2.gz FTTUOXKRIHRANO-MXWKQRLJSA-N 0 3 238.331 0.955 20 0 BCADHN CS(=O)(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000528473784 388531019 /nfs/dbraw/zinc/53/10/19/388531019.db2.gz IAFRMAYZPXOIET-NSHDSACASA-N 0 3 246.376 0.943 20 0 BCADHN COCCOCCN1CCC[C@@H](OC)C1 ZINC000079412540 388533327 /nfs/dbraw/zinc/53/33/27/388533327.db2.gz ARVAVQKMTFLUSN-LLVKDONJSA-N 0 3 217.309 0.760 20 0 BCADHN Cc1cc(C)n(CCN2C[C@@H](C)[C@H](O)C2)n1 ZINC000351807094 388533853 /nfs/dbraw/zinc/53/38/53/388533853.db2.gz GSYCIFFDEHBORG-BXKDBHETSA-N 0 3 223.320 0.813 20 0 BCADHN C[C@@H](C(=O)N1CCCCC1)N1C[C@@H](C)[C@H](O)C1 ZINC000351814354 388534139 /nfs/dbraw/zinc/53/41/39/388534139.db2.gz SQQYAOCNBOPAIA-GRYCIOLGSA-N 0 3 240.347 0.700 20 0 BCADHN COCCN(C)CCCNC(=O)N1CCC1 ZINC000079491174 388535958 /nfs/dbraw/zinc/53/59/58/388535958.db2.gz BQDSNSFNVDMYBP-UHFFFAOYSA-N 0 3 229.324 0.370 20 0 BCADHN Cc1cnccc1CN(CCO)C[C@H](C)O ZINC000528506953 388536207 /nfs/dbraw/zinc/53/62/07/388536207.db2.gz UWBBWBROIVPSQJ-NSHDSACASA-N 0 3 224.304 0.565 20 0 BCADHN COC[C@@H](O)CN[C@H]1COc2ccccc2C1 ZINC000328195037 388586054 /nfs/dbraw/zinc/58/60/54/388586054.db2.gz DSGKKNXJOQQQQV-NEPJUHHUSA-N 0 3 237.299 0.587 20 0 BCADHN COC[C@H](O)CN[C@@H]1COc2ccccc2C1 ZINC000328195038 388586166 /nfs/dbraw/zinc/58/61/66/388586166.db2.gz DSGKKNXJOQQQQV-NWDGAFQWSA-N 0 3 237.299 0.587 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CC[C@H](O)CC1 ZINC000245522209 388586229 /nfs/dbraw/zinc/58/62/29/388586229.db2.gz CMJHLAUFSLBNTB-XYPYZODXSA-N 0 3 228.336 0.748 20 0 BCADHN CCCCCC(=O)NCCN(CC)CCO ZINC000183982144 256842009 /nfs/dbraw/zinc/84/20/09/256842009.db2.gz WMPWDHZJHXWLRL-UHFFFAOYSA-N 0 3 230.352 0.997 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC2(CCC2)C1 ZINC000261577328 135218715 /nfs/dbraw/zinc/21/87/15/135218715.db2.gz KZAWQQNCFWMPNC-VIFPVBQESA-N 0 3 212.293 0.363 20 0 BCADHN CC(C)[C@H](C(=O)NCC12CC(C1)CO2)N(C)C ZINC000529873207 388595372 /nfs/dbraw/zinc/59/53/72/388595372.db2.gz IEMSQQLGEYKVQB-QWKFWESOSA-N 0 3 240.347 0.868 20 0 BCADHN CO[C@@H]1CCCN(C[C@@H](O)COC(C)C)C1 ZINC000219605825 388597044 /nfs/dbraw/zinc/59/70/44/388597044.db2.gz QOHCSVNXBQDCNP-VXGBXAGGSA-N 0 3 231.336 0.883 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@H]1CCCN(C)C1 ZINC000081900950 388598080 /nfs/dbraw/zinc/59/80/80/388598080.db2.gz ZSUQLLDNXFLCMI-WDEREUQCSA-N 0 3 248.392 0.351 20 0 BCADHN CC(=O)NCCCN[C@@H](CCO)c1ccco1 ZINC000185071091 256850808 /nfs/dbraw/zinc/85/08/08/256850808.db2.gz HOYOOFHEESZMIL-NSHDSACASA-N 0 3 240.303 0.819 20 0 BCADHN C[C@H](NCC(=O)NC1CC1)[C@H]1CCCCO1 ZINC000379266980 388602688 /nfs/dbraw/zinc/60/26/88/388602688.db2.gz RWRDRLNGZHCQRC-GXSJLCMTSA-N 0 3 226.320 0.812 20 0 BCADHN CC[C@@H](C)CN(CC)[C@H](C)C(=O)NC(N)=O ZINC000245774980 388604594 /nfs/dbraw/zinc/60/45/94/388604594.db2.gz LHUMHLVWSPOOPM-RKDXNWHRSA-N 0 3 229.324 0.938 20 0 BCADHN CC1(C)CN(C[C@H]2COCCO2)CCCO1 ZINC000649316016 388605662 /nfs/dbraw/zinc/60/56/62/388605662.db2.gz LLYJGARCOANQGH-NSHDSACASA-N 0 3 229.320 0.903 20 0 BCADHN CS(=O)(=O)C1CCN(C2CCCCC2)C1=O ZINC000530111068 388609355 /nfs/dbraw/zinc/60/93/55/388609355.db2.gz UMQSIECQLPYCBD-JTQLQIEISA-N 0 3 245.344 0.965 20 0 BCADHN C[C@H](N)C(=O)Nc1cc([C@H]2C[C@H]2C)[nH]n1 ZINC000245890734 388609477 /nfs/dbraw/zinc/60/94/77/388609477.db2.gz CEGOQRQJXXGUPO-VQVTYTSYSA-N 0 3 208.265 0.819 20 0 BCADHN CC(C)[C@H]1CN([C@@H]2COC[C@H]2O)CCCO1 ZINC000550561811 388610872 /nfs/dbraw/zinc/61/08/72/388610872.db2.gz LAJXPSSJNOBBEL-IJLUTSLNSA-N 0 3 229.320 0.493 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCCOC1 ZINC000082303068 388612465 /nfs/dbraw/zinc/61/24/65/388612465.db2.gz VRSWUZNLYKZLPP-VIFPVBQESA-N 0 3 200.282 0.091 20 0 BCADHN CC(C)[C@H]1CN([C@@H]2COC[C@H]2O)CCS1 ZINC000550681708 388613447 /nfs/dbraw/zinc/61/34/47/388613447.db2.gz DNFOJFPQXUVHKJ-GMTAPVOTSA-N 0 3 231.361 0.820 20 0 BCADHN C[C@H](NCC[C@H]1CCNC1=O)c1ccn(C)n1 ZINC000517584885 388554179 /nfs/dbraw/zinc/55/41/79/388554179.db2.gz YNFKZDFLNSQMGJ-UWVGGRQHSA-N 0 3 236.319 0.597 20 0 BCADHN COC(CCN1CCC[C@H]1C(=O)N(C)C)OC ZINC000528683169 388558029 /nfs/dbraw/zinc/55/80/29/388558029.db2.gz VSJPTKRMDSDOLB-JTQLQIEISA-N 0 3 244.335 0.548 20 0 BCADHN CC1(N2CCOCC2)CCN(CCO)CC1 ZINC000528726952 388559374 /nfs/dbraw/zinc/55/93/74/388559374.db2.gz HOSBFSFLKVWZST-UHFFFAOYSA-N 0 3 228.336 0.165 20 0 BCADHN CN(CC1(O)CCCC1)[C@@H]1CCCN(C)C1=O ZINC000548781534 388561619 /nfs/dbraw/zinc/56/16/19/388561619.db2.gz AEMQIBIVNVJWKQ-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2cccnn2)C1 ZINC000528726706 388564116 /nfs/dbraw/zinc/56/41/16/388564116.db2.gz BBIJVVHWEHQWQQ-SNVBAGLBSA-N 0 3 234.303 0.548 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)N(C)C ZINC000528755829 388566783 /nfs/dbraw/zinc/56/67/83/388566783.db2.gz RXOYHACECOIGOP-CKEKPRIKSA-N 0 3 214.309 0.476 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cn[nH]n1 ZINC000528758468 388567792 /nfs/dbraw/zinc/56/77/92/388567792.db2.gz IZPMWSVNHKTJEJ-QHOPCYEYSA-N 0 3 210.281 0.706 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1c[nH]nn1 ZINC000528758468 388567796 /nfs/dbraw/zinc/56/77/96/388567796.db2.gz IZPMWSVNHKTJEJ-QHOPCYEYSA-N 0 3 210.281 0.706 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@@H]1C[C@H](C)O ZINC000252698520 388572692 /nfs/dbraw/zinc/57/26/92/388572692.db2.gz NMYVRDQRGHBARM-DJLDLDEBSA-N 0 3 200.282 0.096 20 0 BCADHN CCN(CCO)CCNC(=O)CC(C)(C)C ZINC000183960736 388572775 /nfs/dbraw/zinc/57/27/75/388572775.db2.gz RBCNHFKNFQHWNT-UHFFFAOYSA-N 0 3 230.352 0.853 20 0 BCADHN CC(=O)CCN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528781299 388572833 /nfs/dbraw/zinc/57/28/33/388572833.db2.gz GSUVBDHHOOZRJW-ZETOZRRWSA-N 0 3 229.345 0.951 20 0 BCADHN C[C@@H](O)CN1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528789897 388573456 /nfs/dbraw/zinc/57/34/56/388573456.db2.gz UKWAORCLCWFGIM-SCZZXKLOSA-N 0 3 223.276 0.700 20 0 BCADHN CN1CCC(NC(=O)c2ccnnc2)CC1 ZINC000153787689 388576786 /nfs/dbraw/zinc/57/67/86/388576786.db2.gz CQESKXACUHZWPO-UHFFFAOYSA-N 0 3 220.276 0.301 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccnn1 ZINC000528821309 388576857 /nfs/dbraw/zinc/57/68/57/388576857.db2.gz ZYHLMNHTHSEXGH-JOYOIKCWSA-N 0 3 246.314 0.689 20 0 BCADHN CCc1nc(NC(=O)Cn2cncc2C)n[nH]1 ZINC000528840107 388577960 /nfs/dbraw/zinc/57/79/60/388577960.db2.gz PBTSCNWPFXTPTN-UHFFFAOYSA-N 0 3 234.263 0.511 20 0 BCADHN CC(C)OCCN1CCC(NC(N)=O)CC1 ZINC000081540273 388581149 /nfs/dbraw/zinc/58/11/49/388581149.db2.gz POIMDXZHFJJICM-UHFFFAOYSA-N 0 3 229.324 0.544 20 0 BCADHN CNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000184748239 388582432 /nfs/dbraw/zinc/58/24/32/388582432.db2.gz PLYMKVFXBFBIQH-UHFFFAOYSA-N 0 3 242.367 0.332 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)Nc1c[nH]ccc1=O ZINC000649301133 388582566 /nfs/dbraw/zinc/58/25/66/388582566.db2.gz HSKCLEZFGBCSKN-SECBINFHSA-N 0 3 221.260 0.311 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)Nc2c[nH]ccc2=O)C1 ZINC000649301187 388583185 /nfs/dbraw/zinc/58/31/85/388583185.db2.gz KIABLJHTGNQPFY-IUCAKERBSA-N 0 3 235.287 0.702 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)Nc1c[nH]ccc1=O ZINC000649301307 388583659 /nfs/dbraw/zinc/58/36/59/388583659.db2.gz TUEQIGPYCOUFLC-XCBNKYQSSA-N 0 3 223.276 0.687 20 0 BCADHN CSC1(CN2CC[C@@H](NC(N)=O)C2)CC1 ZINC000521941893 388669400 /nfs/dbraw/zinc/66/94/00/388669400.db2.gz OMJUAAGZAKDXJB-MRVPVSSYSA-N 0 3 229.349 0.625 20 0 BCADHN CN(CCNc1cc(=O)n(C)cn1)C1CC1 ZINC000522013923 388674451 /nfs/dbraw/zinc/67/44/51/388674451.db2.gz KHLLGXICASCZJR-UHFFFAOYSA-N 0 3 222.292 0.286 20 0 BCADHN CSCC[C@@H](N)C(=O)N1CCCOCC1 ZINC000077585492 388676754 /nfs/dbraw/zinc/67/67/54/388676754.db2.gz RXXJOHDRXGKJNJ-SECBINFHSA-N 0 3 232.349 0.316 20 0 BCADHN CCCN(C(=O)CC(=O)NC)[C@@H]1CCN(C)C1 ZINC000648997095 388686490 /nfs/dbraw/zinc/68/64/90/388686490.db2.gz IXOXSOFGNHUUPU-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CCOC[C@@H]1C ZINC000192568356 388679194 /nfs/dbraw/zinc/67/91/94/388679194.db2.gz HOIZJTNRHJGITC-QWRGUYRKSA-N 0 3 228.336 0.727 20 0 BCADHN CNC(=O)NC(=O)CN(C)[C@@H]1CCCC[C@H]1C ZINC000192625221 388680548 /nfs/dbraw/zinc/68/05/48/388680548.db2.gz FETPTNKTHYVJCH-NXEZZACHSA-N 0 3 241.335 0.953 20 0 BCADHN CO[C@H]1CCCN(CCN2CCO[C@H](C)C2)C1 ZINC000192732149 388682566 /nfs/dbraw/zinc/68/25/66/388682566.db2.gz QVMRLUDWFNKEMJ-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN COCCCN(C)CCN1CCO[C@H](C)C1 ZINC000192725944 388682845 /nfs/dbraw/zinc/68/28/45/388682845.db2.gz ZDISHHGEKNIBSB-GFCCVEGCSA-N 0 3 230.352 0.675 20 0 BCADHN CCOC(=O)N[C@@H]1CCCN(C[C@@H](C)O)C1 ZINC000192696813 388683321 /nfs/dbraw/zinc/68/33/21/388683321.db2.gz JLKVGZSCDCDLRX-NXEZZACHSA-N 0 3 230.308 0.578 20 0 BCADHN CCN(CCO)CCN1CCO[C@H](C)C1 ZINC000192732900 388684072 /nfs/dbraw/zinc/68/40/72/388684072.db2.gz XBYGDQGVXCEFAM-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@@H]([C@H](C)O)C1 ZINC000246206078 388622459 /nfs/dbraw/zinc/62/24/59/388622459.db2.gz WDIIJAHDWCLGPW-KXUCPTDWSA-N 0 3 214.309 0.166 20 0 BCADHN Cc1noc(C)c1CNC[C@H]1COCCN1 ZINC000530181969 388622747 /nfs/dbraw/zinc/62/27/47/388622747.db2.gz RCKLLQLMNHCBHD-JTQLQIEISA-N 0 3 225.292 0.369 20 0 BCADHN CC[C@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC000270852981 388623603 /nfs/dbraw/zinc/62/36/03/388623603.db2.gz HCVDUAIXJHBIPX-AAEUAGOBSA-N 0 3 248.326 0.988 20 0 BCADHN CCN1CCC(NC(=O)c2nncs2)CC1 ZINC000530182864 388623848 /nfs/dbraw/zinc/62/38/48/388623848.db2.gz BQSSBXANDUMKAC-UHFFFAOYSA-N 0 3 240.332 0.752 20 0 BCADHN CN(C)CCCN(C)C(=O)C1CC(=O)C1 ZINC000538316286 388684187 /nfs/dbraw/zinc/68/41/87/388684187.db2.gz SUYRYVKKLCMDMH-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN CN(CC(N)=O)CC1Cc2ccccc2C1 ZINC000551329670 388626873 /nfs/dbraw/zinc/62/68/73/388626873.db2.gz QQNBWQZAAQAPNW-UHFFFAOYSA-N 0 3 218.300 0.819 20 0 BCADHN CO[C@H]1CN(CCCNC(C)=O)CC[C@H]1C ZINC000189280621 388629618 /nfs/dbraw/zinc/62/96/18/388629618.db2.gz MNUSXIFSAHZYFY-PWSUYJOCSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1)c1ccoc1 ZINC000530217840 388630458 /nfs/dbraw/zinc/63/04/58/388630458.db2.gz BFUNXEVFXNKSEJ-GXSJLCMTSA-N 0 3 210.277 0.919 20 0 BCADHN CCCC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000303253533 388631276 /nfs/dbraw/zinc/63/12/76/388631276.db2.gz CYMPQUCVKOPKPQ-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN C[C@H](CO)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246335098 388631494 /nfs/dbraw/zinc/63/14/94/388631494.db2.gz OAKYIACTSKDGEN-BBBLOLIVSA-N 0 3 241.335 0.292 20 0 BCADHN C[C@H](NC[C@H]1COCCN1)c1cnccn1 ZINC000530220108 388632266 /nfs/dbraw/zinc/63/22/66/388632266.db2.gz IVRKWWHTSDBUHE-UWVGGRQHSA-N 0 3 222.292 0.116 20 0 BCADHN C[C@@H](NC[C@@H]1COCCN1)c1ccncc1F ZINC000530222009 388632646 /nfs/dbraw/zinc/63/26/46/388632646.db2.gz FOMSUBVVWQBSSE-NXEZZACHSA-N 0 3 239.294 0.860 20 0 BCADHN C[C@@H](O)CCN(C)CCOCC(F)F ZINC000189421347 388632959 /nfs/dbraw/zinc/63/29/59/388632959.db2.gz YDVUJSBJYJRDBV-MRVPVSSYSA-N 0 3 211.252 0.971 20 0 BCADHN COC[C@H](C)N1CCN(C[C@H](C)O)CC1 ZINC000189389810 388633566 /nfs/dbraw/zinc/63/35/66/388633566.db2.gz GRXPINAYWOAPBR-QWRGUYRKSA-N 0 3 216.325 0.020 20 0 BCADHN CCOCCN1CCC(NC(=O)COC)CC1 ZINC000642626063 388634362 /nfs/dbraw/zinc/63/43/62/388634362.db2.gz ULXXHZJXZQCKRX-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1)c1ccc(F)cn1 ZINC000530224481 388634482 /nfs/dbraw/zinc/63/44/82/388634482.db2.gz KFYNNHCJBCQLIV-KOLCDFICSA-N 0 3 239.294 0.860 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@@H]1COCCN1 ZINC000530226774 388635484 /nfs/dbraw/zinc/63/54/84/388635484.db2.gz YQTRRKKXHJJTRS-WCBMZHEXSA-N 0 3 224.308 0.357 20 0 BCADHN CC[C@H](NC[C@@H]1COCCN1)c1nccn1C ZINC000530227820 388635567 /nfs/dbraw/zinc/63/55/67/388635567.db2.gz WALIYGDXCNYTEN-MNOVXSKESA-N 0 3 238.335 0.449 20 0 BCADHN Cc1nccnc1[C@@H](C)NC[C@H]1COCCN1 ZINC000530228030 388637002 /nfs/dbraw/zinc/63/70/02/388637002.db2.gz XQEJODUPDKYUBJ-MNOVXSKESA-N 0 3 236.319 0.424 20 0 BCADHN COCCCN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000189555016 388637367 /nfs/dbraw/zinc/63/73/67/388637367.db2.gz XLKSUSTZEMJRMG-VXGBXAGGSA-N 0 3 230.352 0.410 20 0 BCADHN COC[C@H](O)CN1C[C@@H](C)OC2(CCC2)C1 ZINC000521869546 388637669 /nfs/dbraw/zinc/63/76/69/388637669.db2.gz FJSALVVNYQIWJT-GHMZBOCLSA-N 0 3 229.320 0.637 20 0 BCADHN CC(C)OCCN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000189556214 388637721 /nfs/dbraw/zinc/63/77/21/388637721.db2.gz SRUPSVJNPJVGHU-CHWSQXEVSA-N 0 3 244.379 0.798 20 0 BCADHN O[C@@H](CNCC12CC(C1)CO2)c1ccccn1 ZINC000530240228 388638188 /nfs/dbraw/zinc/63/81/88/388638188.db2.gz BZSVPLVURWHADF-YDGIUTOCSA-N 0 3 234.299 0.884 20 0 BCADHN COC[C@@H](NCC(=O)NC1CC1)C(C)C ZINC000083400165 388640424 /nfs/dbraw/zinc/64/04/24/388640424.db2.gz BGSKLTVPRQDOIU-SNVBAGLBSA-N 0 3 214.309 0.526 20 0 BCADHN COC[C@@H](N[C@H](C)CS(C)(=O)=O)C(C)C ZINC000083398806 388640542 /nfs/dbraw/zinc/64/05/42/388640542.db2.gz GNUDXOUKXXPFLI-NXEZZACHSA-N 0 3 237.365 0.680 20 0 BCADHN CC(C)(C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000551820090 388642103 /nfs/dbraw/zinc/64/21/03/388642103.db2.gz IBFQKGHDZBWPBT-SNVBAGLBSA-N 0 3 225.336 0.291 20 0 BCADHN COCCN(C)CCNC(=O)OCC1CC1 ZINC000189832256 388643625 /nfs/dbraw/zinc/64/36/25/388643625.db2.gz NCKOCXVROOVZFI-UHFFFAOYSA-N 0 3 230.308 0.701 20 0 BCADHN CC1(C)OCC[C@H]1NC[C@H](O)C(F)F ZINC000328466351 388643693 /nfs/dbraw/zinc/64/36/93/388643693.db2.gz XHZPGHNTZOVVRB-NKWVEPMBSA-N 0 3 209.236 0.770 20 0 BCADHN Cc1ccc([O-])c(NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000551894882 388644136 /nfs/dbraw/zinc/64/41/36/388644136.db2.gz PEENFIIFNAFGTA-SECBINFHSA-N 0 3 235.287 0.986 20 0 BCADHN Cc1ccc([O-])c(NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC000551894882 388644137 /nfs/dbraw/zinc/64/41/37/388644137.db2.gz PEENFIIFNAFGTA-SECBINFHSA-N 0 3 235.287 0.986 20 0 BCADHN COC(=O)[C@@H]1CN(Cc2cccnc2N)C[C@H]1C ZINC000251529750 388644331 /nfs/dbraw/zinc/64/43/31/388644331.db2.gz AHBNZANRWMILKZ-MWLCHTKSSA-N 0 3 249.314 0.905 20 0 BCADHN C[C@@H]1OCC[C@@H]1NC[C@@H]1CCCCS1(=O)=O ZINC000328612639 388645137 /nfs/dbraw/zinc/64/51/37/388645137.db2.gz PPQQLWKNMDUUEW-DCAQKATOSA-N 0 3 247.360 0.721 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@H](O)[C@H](C)C1 ZINC000190047010 388646321 /nfs/dbraw/zinc/64/63/21/388646321.db2.gz BJGKHQKKPOIHDY-KCJUWKMLSA-N 0 3 209.293 0.921 20 0 BCADHN C[C@H](CCNC(=O)[C@H]1CCN(C)C1)[S@](C)=O ZINC000551920743 388646916 /nfs/dbraw/zinc/64/69/16/388646916.db2.gz BERDNLVNYAUSNM-LSYCYVAJSA-N 0 3 246.376 0.211 20 0 BCADHN O=C(CNC1CC1)N1CCN(C2CC2)CC1 ZINC000037827027 388647957 /nfs/dbraw/zinc/64/79/57/388647957.db2.gz LBUOLPTYBZIBIA-UHFFFAOYSA-N 0 3 223.320 0.045 20 0 BCADHN CN(C)CCNC(=O)NCCOCC(F)F ZINC000190268263 388648347 /nfs/dbraw/zinc/64/83/47/388648347.db2.gz MEFQOARCENSBFW-UHFFFAOYSA-N 0 3 239.266 0.129 20 0 BCADHN CC[C@@H](C(N)=O)N(C)C[C@H]1CCOC1 ZINC000246829375 388653067 /nfs/dbraw/zinc/65/30/67/388653067.db2.gz BAKPWARROWEOKS-BDAKNGLRSA-N 0 3 200.282 0.219 20 0 BCADHN CCCN(C(=O)[C@@H](O)C(C)C)[C@@H]1CCN(C)C1 ZINC000648996626 388685718 /nfs/dbraw/zinc/68/57/18/388685718.db2.gz WUZQSEQIUZLXGT-NEPJUHHUSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C(=O)NC[C@@]1(C)CCCO1)S(C)(=O)=O ZINC000124061567 388660186 /nfs/dbraw/zinc/66/01/86/388660186.db2.gz GYSFCSIKMAFUFJ-PSASIEDQSA-N 0 3 249.332 0.105 20 0 BCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)C1CCC1 ZINC000552028194 388660754 /nfs/dbraw/zinc/66/07/54/388660754.db2.gz OFPHIWVHHZWEKP-CYBMUJFWSA-N 0 3 238.331 0.359 20 0 BCADHN CCO[C@@H](C)C(=O)N(C)C1CCN(C)CC1 ZINC000063446155 388661934 /nfs/dbraw/zinc/66/19/34/388661934.db2.gz IEXZBLURVMDEFU-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN COC[C@H](CNCc1ccnn1C)OC ZINC000227704936 388757283 /nfs/dbraw/zinc/75/72/83/388757283.db2.gz YIBVOFZXZBQMKM-JTQLQIEISA-N 0 3 213.281 0.171 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@@H]2CCO[C@H]2C)C1 ZINC000538876946 388737423 /nfs/dbraw/zinc/73/74/23/388737423.db2.gz DTHWGXXOQVNACC-GRYCIOLGSA-N 0 3 240.347 0.869 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC000194651383 388738072 /nfs/dbraw/zinc/73/80/72/388738072.db2.gz HWCNHXWNXHBPJP-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@H]2CCO[C@@H]2C)C1 ZINC000538876948 388738201 /nfs/dbraw/zinc/73/82/01/388738201.db2.gz DTHWGXXOQVNACC-UTUOFQBUSA-N 0 3 240.347 0.869 20 0 BCADHN CN1CCC[C@H]1CNC(=O)C[C@@H]1CCCO1 ZINC000194699457 388740325 /nfs/dbraw/zinc/74/03/25/388740325.db2.gz VOYRTQSGEPIYIQ-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H](O)[C@H]1CCCN([C@@H](C)C(=O)NC2CC2)C1 ZINC000089930654 388741997 /nfs/dbraw/zinc/74/19/97/388741997.db2.gz ICQYIKRROSJKQG-DCAQKATOSA-N 0 3 240.347 0.746 20 0 BCADHN CN(C)CCNC(=O)NCc1ccccn1 ZINC000144147145 388742312 /nfs/dbraw/zinc/74/23/12/388742312.db2.gz AOHOUJULXHLVHU-UHFFFAOYSA-N 0 3 222.292 0.442 20 0 BCADHN CO[C@H](CN)C(=O)N1CCCC[C@H]1C ZINC000227341571 388747760 /nfs/dbraw/zinc/74/77/60/388747760.db2.gz WIKNMRZXXRYXOO-RKDXNWHRSA-N 0 3 200.282 0.361 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc(O)cc1 ZINC000227357932 388748586 /nfs/dbraw/zinc/74/85/86/388748586.db2.gz AZIKUKVJTGDSCA-VIFPVBQESA-N 0 3 210.233 0.304 20 0 BCADHN CCN(CCO)C(=O)CN1CC[C@H](C)C1 ZINC000553268328 388757726 /nfs/dbraw/zinc/75/77/26/388757726.db2.gz HPQHHFSDVIZING-JTQLQIEISA-N 0 3 214.309 0.169 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cccc(F)c1 ZINC000227344457 388749029 /nfs/dbraw/zinc/74/90/29/388749029.db2.gz LUKIWRVZWLQWKP-SECBINFHSA-N 0 3 212.224 0.738 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc(F)cn1 ZINC000227387991 388749811 /nfs/dbraw/zinc/74/98/11/388749811.db2.gz QGOWSGVAGISCMF-SSDOTTSWSA-N 0 3 213.212 0.133 20 0 BCADHN CO[C@H](CN)C(=O)N1CCCC1(C)C ZINC000227383232 388749937 /nfs/dbraw/zinc/74/99/37/388749937.db2.gz GFGKMJBOCCRALC-MRVPVSSYSA-N 0 3 200.282 0.361 20 0 BCADHN CC[C@H]1CCN(C(=O)[C@H](CN)OC)C1 ZINC000227402756 388749957 /nfs/dbraw/zinc/74/99/57/388749957.db2.gz KPDUVCBXLOZDHZ-IUCAKERBSA-N 0 3 200.282 0.219 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000227396498 388750274 /nfs/dbraw/zinc/75/02/74/388750274.db2.gz MSHLXZYBIBTJTP-KXUCPTDWSA-N 0 3 212.293 0.219 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCCCC[C@H]1C ZINC000227385276 388750381 /nfs/dbraw/zinc/75/03/81/388750381.db2.gz MWASPMYJNTWGPF-ZJUUUORDSA-N 0 3 214.309 0.751 20 0 BCADHN COc1ccc(N(C)C(=O)[C@@H](CN)OC)cc1 ZINC000227379807 388750533 /nfs/dbraw/zinc/75/05/33/388750533.db2.gz GWPBOZOFFMXQOP-LLVKDONJSA-N 0 3 238.287 0.632 20 0 BCADHN COc1ccc(N(C)C(=O)[C@H](CN)OC)cc1 ZINC000227379814 388750689 /nfs/dbraw/zinc/75/06/89/388750689.db2.gz GWPBOZOFFMXQOP-NSHDSACASA-N 0 3 238.287 0.632 20 0 BCADHN CCN(CC(C)(C)O)C(=O)CN1CC[C@H](C)C1 ZINC000553164333 388750835 /nfs/dbraw/zinc/75/08/35/388750835.db2.gz NACLECLBIFLYSH-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN Cc1cc(C(=O)NC[C@H](C)N(C)C2CC2)ncn1 ZINC000128356125 388751095 /nfs/dbraw/zinc/75/10/95/388751095.db2.gz WLHAIRMVFKXPSV-JTQLQIEISA-N 0 3 248.330 0.998 20 0 BCADHN CCC1(CNC(=O)[C@H](CN)OC)CCC1 ZINC000227417655 388751192 /nfs/dbraw/zinc/75/11/92/388751192.db2.gz PIUVDRUVFZSESX-VIFPVBQESA-N 0 3 214.309 0.657 20 0 BCADHN CO[C@@H](CN)C(=O)NCC1(C(C)C)CC1 ZINC000227417953 388751692 /nfs/dbraw/zinc/75/16/92/388751692.db2.gz LDULOENDJTWHGA-VIFPVBQESA-N 0 3 214.309 0.513 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000553223877 388754751 /nfs/dbraw/zinc/75/47/51/388754751.db2.gz FLHIBVZGXQRTCQ-IJLUTSLNSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)CCCCCO ZINC000126111553 388688746 /nfs/dbraw/zinc/68/87/46/388688746.db2.gz SQGIFNOAEJSMFD-QMTHXVAHSA-N 0 3 221.366 0.848 20 0 BCADHN CCN(CC(=O)NC(N)=O)[C@H](C)C(C)C ZINC000065298526 388689382 /nfs/dbraw/zinc/68/93/82/388689382.db2.gz ISRLLSOZIJGFDI-MRVPVSSYSA-N 0 3 215.297 0.548 20 0 BCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(C)(C)O ZINC000248679107 388689574 /nfs/dbraw/zinc/68/95/74/388689574.db2.gz VFXWPFDULWSMFM-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN(C(=O)CN(C)C)[C@@H]1CCN(C)C1 ZINC000649000259 388690339 /nfs/dbraw/zinc/69/03/39/388690339.db2.gz SAYSILPPFKJQPQ-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN Cn1cc(NC(=O)NC[C@H]2CCCN2C)cn1 ZINC000195131122 388697108 /nfs/dbraw/zinc/69/71/08/388697108.db2.gz OFLYEEUZNWIQKF-SNVBAGLBSA-N 0 3 237.307 0.636 20 0 BCADHN C[C@@H](O)CN(Cc1cccnc1)[C@H](C)CO ZINC000248978214 388701996 /nfs/dbraw/zinc/70/19/96/388701996.db2.gz UUMQWFXJEYAMLC-GHMZBOCLSA-N 0 3 224.304 0.645 20 0 BCADHN CCN1C[C@@H](C)N(C[C@H](O)COC)C[C@H]1C ZINC000538627105 388703945 /nfs/dbraw/zinc/70/39/45/388703945.db2.gz AOISZWFCDOZYFI-UTUOFQBUSA-N 0 3 230.352 0.408 20 0 BCADHN O=C(C[C@@H]1CCCO1)N1CCN2CCC[C@H]2C1 ZINC000195332682 388705099 /nfs/dbraw/zinc/70/50/99/388705099.db2.gz UUONHQLVIXCTRP-RYUDHWBXSA-N 0 3 238.331 0.862 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CCOC2)[C@@H](C)CN1 ZINC000226116169 388705923 /nfs/dbraw/zinc/70/59/23/388705923.db2.gz QJCGMDMIFPYBQA-UTLUCORTSA-N 0 3 212.293 0.232 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@@H](O)[C@H](C)C2)CCO1 ZINC000249283709 388715051 /nfs/dbraw/zinc/71/50/51/388715051.db2.gz NLISDXKQTUNWEV-JHJVBQTASA-N 0 3 242.363 0.410 20 0 BCADHN COC[C@@H](C)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249368019 388715736 /nfs/dbraw/zinc/71/57/36/388715736.db2.gz MVRJFEXZYSEMOH-NWDGAFQWSA-N 0 3 244.379 0.798 20 0 BCADHN COC[C@H](C)CN1C[C@H](C)O[C@H](CO)C1 ZINC000249299291 388716766 /nfs/dbraw/zinc/71/67/66/388716766.db2.gz NIEQIJQMDHQCLU-VWYCJHECSA-N 0 3 217.309 0.351 20 0 BCADHN CC[C@](C)(NC[C@@H](O)COCC(C)C)C(N)=O ZINC000127183102 388716965 /nfs/dbraw/zinc/71/69/65/388716965.db2.gz FABIHUWZPHEMOE-PWSUYJOCSA-N 0 3 246.351 0.264 20 0 BCADHN COCCCNC(=O)[C@@H](C)N(C)CCCOC ZINC000066378899 388717430 /nfs/dbraw/zinc/71/74/30/388717430.db2.gz AMJCAMFOIKPFTP-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN OC[C@@H]1CCCN1C[C@@H](O)CC(F)(F)F ZINC000249373833 388718667 /nfs/dbraw/zinc/71/86/67/388718667.db2.gz PKYSFNPWNWIFSM-YUMQZZPRSA-N 0 3 227.226 0.756 20 0 BCADHN C[C@H](O)CN1CCN(CC2CC2)[C@H](C)C1 ZINC000249518591 388725924 /nfs/dbraw/zinc/72/59/24/388725924.db2.gz SZGKPYKEJCSJTA-MNOVXSKESA-N 0 3 212.337 0.783 20 0 BCADHN C[C@H](O)CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249512293 388726045 /nfs/dbraw/zinc/72/60/45/388726045.db2.gz ILOSXVSDEFBNGZ-QWRGUYRKSA-N 0 3 230.352 0.144 20 0 BCADHN CC(C)OCCN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000249518100 388726155 /nfs/dbraw/zinc/72/61/55/388726155.db2.gz SRUPSVJNPJVGHU-STQMWFEESA-N 0 3 244.379 0.798 20 0 BCADHN C[C@@H]1CCN(CCCCO)[C@@H](C(N)=O)C1 ZINC000249531989 388726812 /nfs/dbraw/zinc/72/68/12/388726812.db2.gz BCMXFPGCCWNADU-NXEZZACHSA-N 0 3 214.309 0.345 20 0 BCADHN CN(C)CCNC(=O)Nc1nncs1 ZINC000194291477 388728948 /nfs/dbraw/zinc/72/89/48/388728948.db2.gz UPGSYQAZKIMPLL-UHFFFAOYSA-N 0 3 215.282 0.221 20 0 BCADHN COC[C@H](C)CN(C)[C@H](C)C[S@](C)=O ZINC000249763455 388732437 /nfs/dbraw/zinc/73/24/37/388732437.db2.gz HYVHNKXAYSCUHF-RULNRJAQSA-N 0 3 221.366 0.968 20 0 BCADHN COC(=O)CCCN1CC[C@@H](O)[C@@H](C)C1 ZINC000229574023 388795543 /nfs/dbraw/zinc/79/55/43/388795543.db2.gz SUBMZYJDRXVKPG-VHSXEESVSA-N 0 3 215.293 0.642 20 0 BCADHN CC[C@H](O)C[NH2+]Cc1nc(C)ccc1[O-] ZINC000229965846 388806153 /nfs/dbraw/zinc/80/61/53/388806153.db2.gz AFLQWHMZXIBAGN-VIFPVBQESA-N 0 3 210.277 0.956 20 0 BCADHN C[C@H]1C[C@H](NCc2nncn2C)CN1C1CC1 ZINC000128977924 388807241 /nfs/dbraw/zinc/80/72/41/388807241.db2.gz DRGGABJBIHVSKP-UWVGGRQHSA-N 0 3 235.335 0.530 20 0 BCADHN C[C@H]1OCC[C@@]1(O)CNCc1cncs1 ZINC000227980352 388764639 /nfs/dbraw/zinc/76/46/39/388764639.db2.gz FRTYDJYVKYPADW-PSASIEDQSA-N 0 3 228.317 0.773 20 0 BCADHN C[C@@H](O)CCN(C)[C@H]1CCCN(C)C1=O ZINC000539808577 388775020 /nfs/dbraw/zinc/77/50/20/388775020.db2.gz CZXHORWCKSGOOY-ZJUUUORDSA-N 0 3 214.309 0.310 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC000156046874 388787129 /nfs/dbraw/zinc/78/71/29/388787129.db2.gz KMFXDMIWMIUQDU-LLVKDONJSA-N 0 3 236.319 0.505 20 0 BCADHN COC[C@@H](C)NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000539880853 388787199 /nfs/dbraw/zinc/78/71/99/388787199.db2.gz NDBTVVGMGPBUKW-GMTAPVOTSA-N 0 3 243.351 0.803 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H](C)C(=O)NC(C)C ZINC000229385709 388787348 /nfs/dbraw/zinc/78/73/48/388787348.db2.gz GUVBYIBPFFVYMW-LPEHRKFASA-N 0 3 216.325 0.913 20 0 BCADHN O=C1C[C@@H]([C@@H]2CCCCN2Cc2cc[nH]n2)CN1 ZINC000539923932 388790015 /nfs/dbraw/zinc/79/00/15/388790015.db2.gz MTRYYEUECVPBST-PWSUYJOCSA-N 0 3 248.330 0.900 20 0 BCADHN C[C@H](CO)CCCNCc1nccn1C ZINC000230157544 388817133 /nfs/dbraw/zinc/81/71/33/388817133.db2.gz NBDBAYYBLQTVNX-JTQLQIEISA-N 0 3 211.309 0.918 20 0 BCADHN CC(C)N1CC[C@H](N[C@H]2C[C@H](O)C2(C)C)C1=O ZINC000554512451 388818662 /nfs/dbraw/zinc/81/86/62/388818662.db2.gz ROHOHSCWNJUDPC-DCAQKATOSA-N 0 3 240.347 0.745 20 0 BCADHN Cc1cccc(CNCCC(=O)NC(N)=O)c1 ZINC000554603881 388823816 /nfs/dbraw/zinc/82/38/16/388823816.db2.gz QCQRGZNUGPIMSQ-UHFFFAOYSA-N 0 3 235.287 0.670 20 0 BCADHN CC[C@H](C)CC(=O)NCCNCCOC ZINC000164544240 135392486 /nfs/dbraw/zinc/39/24/86/135392486.db2.gz HXXMBWITEBIVCK-JTQLQIEISA-N 0 3 216.325 0.775 20 0 BCADHN COC(CN1CCC[C@@](C)(O)CC1)OC ZINC000230359634 388824520 /nfs/dbraw/zinc/82/45/20/388824520.db2.gz HXQKUYJNHHOZGC-LLVKDONJSA-N 0 3 217.309 0.842 20 0 BCADHN CC[C@@H](SC)C(=O)NCCN(C)CCOC ZINC000129210130 388825723 /nfs/dbraw/zinc/82/57/23/388825723.db2.gz UCLLPVZNEAALAI-SNVBAGLBSA-N 0 3 248.392 0.822 20 0 BCADHN C[C@H](O)[C@@H]1CCCN([C@@H]2CCCN(C)C2=O)C1 ZINC000540911385 388826607 /nfs/dbraw/zinc/82/66/07/388826607.db2.gz UMIWHBAMRMZYOO-QJPTWQEYSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](CO)N(C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000555120799 388840738 /nfs/dbraw/zinc/84/07/38/388840738.db2.gz ZNJRJOSFXBJGBA-GARJFASQSA-N 0 3 243.351 0.491 20 0 BCADHN CN1CCC[C@H]1CNC(=O)Cn1ccnc1 ZINC000555222007 388841587 /nfs/dbraw/zinc/84/15/87/388841587.db2.gz CWDXOXVGTIBKGF-JTQLQIEISA-N 0 3 222.292 0.094 20 0 BCADHN CCN(CC)[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000193325778 388851621 /nfs/dbraw/zinc/85/16/21/388851621.db2.gz AATVXYUEHTYWNM-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000194658350 388863047 /nfs/dbraw/zinc/86/30/47/388863047.db2.gz LEFJFRJJFYIQGO-VIFPVBQESA-N 0 3 222.292 0.624 20 0 BCADHN C[C@H](O)[C@@H]1CCN([C@@H]2CCCN(C)C2=O)C1 ZINC000541881058 388870992 /nfs/dbraw/zinc/87/09/92/388870992.db2.gz YXQJDTJEWBBRNJ-HBNTYKKESA-N 0 3 226.320 0.310 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@H](COC)C1 ZINC000129815314 388872414 /nfs/dbraw/zinc/87/24/14/388872414.db2.gz BZGTUPCOUUZEGY-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN CCC[C@H](C(=O)N[C@@H]1CCC(=O)NC1)N(C)C ZINC000129466174 388845692 /nfs/dbraw/zinc/84/56/92/388845692.db2.gz UVTYVRBWJQDHNG-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CCNC(=O)CCN(C)CCN1CCCC1=O ZINC000523654195 388848775 /nfs/dbraw/zinc/84/87/75/388848775.db2.gz VHPDLDDFZRWCAB-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN CC1=CCN(CCNC(=O)Cn2ccnc2)CC1 ZINC000564694180 388885479 /nfs/dbraw/zinc/88/54/79/388885479.db2.gz ZRCIMMUBYHSFCD-UHFFFAOYSA-N 0 3 248.330 0.651 20 0 BCADHN CS[C@H](C)C(=O)NC[C@](C)(O)CN(C)C ZINC000152904547 388891644 /nfs/dbraw/zinc/89/16/44/388891644.db2.gz ALLSAEUUGTYJMT-SCZZXKLOSA-N 0 3 234.365 0.167 20 0 BCADHN CN(C[C@H](O)CNCc1nccs1)C1CC1 ZINC000564842647 388892458 /nfs/dbraw/zinc/89/24/58/388892458.db2.gz GUYNRPRJXWYWGB-SNVBAGLBSA-N 0 3 241.360 0.688 20 0 BCADHN C[C@H](CNCCc1nccs1)S(C)(=O)=O ZINC000564847225 388894557 /nfs/dbraw/zinc/89/45/57/388894557.db2.gz KXXJHOWOFPBCCY-MRVPVSSYSA-N 0 3 248.373 0.708 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCCc1nc(C)no1 ZINC000564929605 388898213 /nfs/dbraw/zinc/89/82/13/388898213.db2.gz ANRVZYCHGSYCTG-NXEZZACHSA-N 0 3 241.291 0.314 20 0 BCADHN CC(=O)NCCN(C)C[C@@H](O)CC1CCCC1 ZINC000564929718 388898813 /nfs/dbraw/zinc/89/88/13/388898813.db2.gz VIXJWAXQWXORDD-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CN(C(=O)[C@@H](N)Cc1ccccc1)C1CC(O)C1 ZINC000564942939 388900560 /nfs/dbraw/zinc/90/05/60/388900560.db2.gz UKEZAHXFADZIMO-BPCQOVAHSA-N 0 3 248.326 0.538 20 0 BCADHN CC[C@H](C)OCC(=O)NC[C@@](C)(O)CN(C)C ZINC000152715223 388876833 /nfs/dbraw/zinc/87/68/33/388876833.db2.gz XZXPPDHFNMBZKM-CMPLNLGQSA-N 0 3 246.351 0.230 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)[C@H](N)CC ZINC000564993707 388906504 /nfs/dbraw/zinc/90/65/04/388906504.db2.gz OMPKWIBFHYIMOF-IWSPIJDZSA-N 0 3 230.308 0.428 20 0 BCADHN C[C@@H](CN1C[C@H](O)[C@@H](N(C)C)C1)C(F)(F)F ZINC000565175132 388921435 /nfs/dbraw/zinc/92/14/35/388921435.db2.gz VAFOIHBKOJVIIG-CIUDSAMLSA-N 0 3 240.269 0.792 20 0 BCADHN CCC(CC)(CO)C(=O)NCC1(N(C)C)CC1 ZINC000565210493 388925217 /nfs/dbraw/zinc/92/52/17/388925217.db2.gz RKOQGAIAWWOCBH-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN Cn1cnc(N2CC[C@@H](N3CC=CC3)C2)cc1=O ZINC000565222648 388928888 /nfs/dbraw/zinc/92/88/88/388928888.db2.gz SMLSGPHRZOPEBB-LLVKDONJSA-N 0 3 246.314 0.231 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cn(C)cn2)[C@H]1C ZINC000262394783 388933917 /nfs/dbraw/zinc/93/39/17/388933917.db2.gz OTGGEKZULOESBM-IUCAKERBSA-N 0 3 222.292 0.243 20 0 BCADHN NC1(C(=O)Nc2ccc3nncn3c2)CC1 ZINC000565299538 388934705 /nfs/dbraw/zinc/93/47/05/388934705.db2.gz JALLFZHABVLSMP-UHFFFAOYSA-N 0 3 217.232 0.159 20 0 BCADHN CN1CCC[C@H](N2CC[C@@H]3OCC[C@@H]3C2)C1=O ZINC000565301287 388935760 /nfs/dbraw/zinc/93/57/60/388935760.db2.gz QDZVCMFUORDVJU-WOPDTQHZSA-N 0 3 238.331 0.718 20 0 BCADHN Oc1cccnc1CN1CCN2CCOC[C@H]2C1 ZINC000565626873 388958779 /nfs/dbraw/zinc/95/87/79/388958779.db2.gz RQMVLCOOQWEJQS-LLVKDONJSA-N 0 3 249.314 0.304 20 0 BCADHN CC(=O)NCCCN(C)[C@H]1CCC(=O)N(C)C1 ZINC000565724295 388965780 /nfs/dbraw/zinc/96/57/80/388965780.db2.gz MXNCIMKQWHXXCX-NSHDSACASA-N 0 3 241.335 0.065 20 0 BCADHN COC(=O)CC1([NH2+]Cc2ncccc2[O-])CC1 ZINC000565306379 388937978 /nfs/dbraw/zinc/93/79/78/388937978.db2.gz AOKIABNXCZPDET-UHFFFAOYSA-N 0 3 236.271 0.973 20 0 BCADHN C[C@@H]1CN(C(=O)c2cccc(N)n2)[C@H](C)CN1 ZINC000565361049 388939129 /nfs/dbraw/zinc/93/91/29/388939129.db2.gz DXOYXFQZAMNSJM-RKDXNWHRSA-N 0 3 234.303 0.486 20 0 BCADHN CCCN[C@H](C)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000565364527 388941043 /nfs/dbraw/zinc/94/10/43/388941043.db2.gz DOCNZXJAXPCCPS-SSDOTTSWSA-N 0 3 238.291 0.440 20 0 BCADHN CC[C@H](C)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000565379120 388941718 /nfs/dbraw/zinc/94/17/18/388941718.db2.gz UZLXSWCWADFBOO-VHSXEESVSA-N 0 3 243.351 0.215 20 0 BCADHN C[C@H](N)C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000565543012 388952299 /nfs/dbraw/zinc/95/22/99/388952299.db2.gz GOVRUNHMOACFKL-WPRPVWTQSA-N 0 3 247.298 0.576 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)NCCN(C)C2CC2)CO1 ZINC000565888924 388976533 /nfs/dbraw/zinc/97/65/33/388976533.db2.gz DREIETKNTMVIOH-NXEZZACHSA-N 0 3 241.335 0.557 20 0 BCADHN CC[C@@H](N)C(=O)NC(C)(C)c1cnn(C)c1 ZINC000565950927 388981198 /nfs/dbraw/zinc/98/11/98/388981198.db2.gz BVWDURFAVFMGSZ-SECBINFHSA-N 0 3 224.308 0.509 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000566008952 388983750 /nfs/dbraw/zinc/98/37/50/388983750.db2.gz SHKYOFPKMALLCV-NSHDSACASA-N 0 3 249.314 0.844 20 0 BCADHN CC(C)N1C[C@@H](N[C@@H](C)[C@H](C)O)CC1=O ZINC000566109257 388988170 /nfs/dbraw/zinc/98/81/70/388988170.db2.gz LUVYMFQCMFCOCR-GUBZILKMSA-N 0 3 214.309 0.355 20 0 BCADHN Cc1cnccc1NC(=O)[C@@H](N)CC(F)F ZINC000336653248 177650449 /nfs/dbraw/zinc/65/04/49/177650449.db2.gz JCIUUTFVJBWTQS-ZETCQYMHSA-N 0 3 229.230 0.733 20 0 BCADHN OCCCN(CCO)Cc1ccsc1 ZINC000264097230 388991288 /nfs/dbraw/zinc/99/12/88/388991288.db2.gz UEMKXJZUPDVDJH-UHFFFAOYSA-N 0 3 215.318 0.925 20 0 BCADHN CCN(CCO)CCNCc1occc1C ZINC000274422819 389047332 /nfs/dbraw/zinc/04/73/32/389047332.db2.gz QUFQYJKSYABXIQ-UHFFFAOYSA-N 0 3 226.320 0.992 20 0 BCADHN CCN(C)C(=O)CCN[C@@H](C)c1cn[nH]c1 ZINC000275244170 389054635 /nfs/dbraw/zinc/05/46/35/389054635.db2.gz XNEIYPQZWUOSAW-VIFPVBQESA-N 0 3 224.308 0.929 20 0 BCADHN Cn1ccc(CN[C@]2(CO)CCOC2)c1 ZINC000273523300 389042870 /nfs/dbraw/zinc/04/28/70/389042870.db2.gz SVCKNBCSZVYUSB-NSHDSACASA-N 0 3 210.277 0.266 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCC(C)(CO)CC1 ZINC000401800277 533242878 /nfs/dbraw/zinc/24/28/78/533242878.db2.gz MGJXEIOQDNYGTR-JTQLQIEISA-N 0 3 240.347 0.748 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CC[C@H](C)O2)C[C@@H]1OC ZINC000488036324 533478470 /nfs/dbraw/zinc/47/84/70/533478470.db2.gz AGUUCANYFHTXFV-WHOHXGKFSA-N 0 3 229.320 0.900 20 0 BCADHN C[C@@H](O)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000469033700 533574966 /nfs/dbraw/zinc/57/49/66/533574966.db2.gz PCCWVPNJHXDBJF-OUAUKWLOSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@@H](O)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000469033216 533575383 /nfs/dbraw/zinc/57/53/83/533575383.db2.gz PCCWVPNJHXDBJF-GARJFASQSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@@H](O)CCN(C)C[C@@H]1CN(C)C(=O)O1 ZINC000496646655 533612064 /nfs/dbraw/zinc/61/20/64/533612064.db2.gz PJBLOJMMNZBKHK-RKDXNWHRSA-N 0 3 216.281 0.140 20 0 BCADHN CCN1CCN(c2ncnc3[nH]cnc32)[C@H](C)C1 ZINC000286226912 132214114 /nfs/dbraw/zinc/21/41/14/132214114.db2.gz DJEYCAMUALXDFE-SECBINFHSA-N 0 3 246.318 0.883 20 0 BCADHN CCN1CCN(c2ncnc3nc[nH]c32)[C@H](C)C1 ZINC000286226912 132214111 /nfs/dbraw/zinc/21/41/11/132214111.db2.gz DJEYCAMUALXDFE-SECBINFHSA-N 0 3 246.318 0.883 20 0 BCADHN COCCC(=O)N1C[C@H](N)Cc2ccccc21 ZINC000070195479 132230417 /nfs/dbraw/zinc/23/04/17/132230417.db2.gz SCYTUEKSDSXRIC-LLVKDONJSA-N 0 3 234.299 0.940 20 0 BCADHN CCc1nnc(N2CCNC[C@@H]2C)nc1CC ZINC000097838478 132242500 /nfs/dbraw/zinc/24/25/00/132242500.db2.gz RTRZMGVDUAGVJU-VIFPVBQESA-N 0 3 235.335 0.795 20 0 BCADHN Cn1nc(N2CCN(CC3CC3)CC2)ccc1=O ZINC000346115388 132243245 /nfs/dbraw/zinc/24/32/45/132243245.db2.gz IKKCRKPSMKXRQQ-UHFFFAOYSA-N 0 3 248.330 0.312 20 0 BCADHN O=C([C@H]1CCN1)N1CCNc2ccccc21 ZINC000336560068 132248770 /nfs/dbraw/zinc/24/87/70/132248770.db2.gz PYIPFTBLJNERMQ-SNVBAGLBSA-N 0 3 217.272 0.807 20 0 BCADHN O=C(Nc1ccc(N2CCNCC2)cn1)C1CC1 ZINC000261570862 132303948 /nfs/dbraw/zinc/30/39/48/132303948.db2.gz KQXJFPOVIASBEI-UHFFFAOYSA-N 0 3 246.314 0.840 20 0 BCADHN Cc1ccc(N2C[C@@H](C)N[C@@H](C)C2)nn1 ZINC000053712507 132363539 /nfs/dbraw/zinc/36/35/39/132363539.db2.gz ZARMXFTUUWIYSU-AOOOYVTPSA-N 0 3 206.293 0.972 20 0 BCADHN COc1ccnc(N2C[C@@H](C)N[C@@H](C)C2)n1 ZINC000053712148 132363703 /nfs/dbraw/zinc/36/37/03/132363703.db2.gz JUFCSBMQHBOQPO-DTORHVGOSA-N 0 3 222.292 0.672 20 0 BCADHN C[C@@H]1CCN(C(=O)C[C@H]2CNCCO2)C[C@H]1C ZINC000253074107 133653245 /nfs/dbraw/zinc/65/32/45/133653245.db2.gz PJWRFZSDBFHKAN-UTUOFQBUSA-N 0 3 240.347 0.869 20 0 BCADHN CS[C@@H](CO)[C@H](C)NCc1cnnn1C ZINC000165503295 133661659 /nfs/dbraw/zinc/66/16/59/133661659.db2.gz ULFSLXRXGNWPHC-CBAPKCEASA-N 0 3 230.337 0.017 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NC[C@H](C)SC ZINC000343530726 133694614 /nfs/dbraw/zinc/69/46/14/133694614.db2.gz OWLOJJITKVDPIY-YUMQZZPRSA-N 0 3 248.348 0.135 20 0 BCADHN CCOC(=O)COCCN[C@H](C)c1cn[nH]c1 ZINC000351595521 133975588 /nfs/dbraw/zinc/97/55/88/133975588.db2.gz RAQBTHPZPWILRA-SECBINFHSA-N 0 3 241.291 0.640 20 0 BCADHN CCOCCNC[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894384595 583442956 /nfs/dbraw/zinc/44/29/56/583442956.db2.gz IBLIPOKZEOURPU-SFYZADRCSA-N 0 3 237.246 0.667 20 0 BCADHN CC(C)CC(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000335936668 134012483 /nfs/dbraw/zinc/01/24/83/134012483.db2.gz CNKCHDLIZFSOBK-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)OC(=O)CCN(CCO)C[C@H](C)O ZINC000351949245 134016114 /nfs/dbraw/zinc/01/61/14/134016114.db2.gz NFSZXNKTFVOXHM-JTQLQIEISA-N 0 3 233.308 0.003 20 0 BCADHN CC[C@H](C(=O)OC)N(C)CCN(C)C1CC1 ZINC000351954411 134016895 /nfs/dbraw/zinc/01/68/95/134016895.db2.gz VOSHSFYXKMONPD-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@H]1OCC[C@@H]1C(=O)N(C)C1CCN(C)CC1 ZINC000335947227 134020508 /nfs/dbraw/zinc/02/05/08/134020508.db2.gz WEXVKNSHRQNUKQ-PWSUYJOCSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1C[C@H](CN2CCNC(=O)CC2)CCO1 ZINC000335968514 134028778 /nfs/dbraw/zinc/02/87/78/134028778.db2.gz GDCXTCCLSNPXMZ-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CC(=O)N(C)CC(=O)N1CCN(C)CC[C@@H]1C ZINC000335969389 134029280 /nfs/dbraw/zinc/02/92/80/134029280.db2.gz UVICYLOFXIIACX-JTQLQIEISA-N 0 3 241.335 0.017 20 0 BCADHN CNC(=O)N[C@@H]1CCN(CC[C@@H](C)F)C1 ZINC000351992127 134031549 /nfs/dbraw/zinc/03/15/49/134031549.db2.gz AVEWZIIBDXEWCT-RKDXNWHRSA-N 0 3 217.288 0.738 20 0 BCADHN CC(=O)CCCC(=O)NCCNc1ccncc1 ZINC000352006007 134034341 /nfs/dbraw/zinc/03/43/41/134034341.db2.gz ZXKPKJILOCIJKU-UHFFFAOYSA-N 0 3 249.314 0.791 20 0 BCADHN CC[C@@H]1CCCN1C(=O)C(C)S(C)(=O)=O ZINC000335982000 134038204 /nfs/dbraw/zinc/03/82/04/134038204.db2.gz YRJWUUBYBBURMC-RKDXNWHRSA-N 0 3 233.333 0.821 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1C[C@H](C)CC(C)(C)C1 ZINC000335991907 134040628 /nfs/dbraw/zinc/04/06/28/134040628.db2.gz ACYCQBJREFOUET-RKDXNWHRSA-N 0 3 241.335 0.938 20 0 BCADHN C[C@]1(C(=O)N[C@H]2CCN(C3CC3)C2)CCOC1 ZINC000335998534 134043288 /nfs/dbraw/zinc/04/32/88/134043288.db2.gz FQEZJQBOIAFNPJ-GWCFXTLKSA-N 0 3 238.331 0.766 20 0 BCADHN O=C(NCCF)C12CCCN1CCC2 ZINC000336012112 134051492 /nfs/dbraw/zinc/05/14/92/134051492.db2.gz OBNXRLWZOBUQLK-UHFFFAOYSA-N 0 3 200.257 0.701 20 0 BCADHN CN(C(=O)[C@@H]1CCN(C)C1)c1ccn(C)n1 ZINC000336023125 134056597 /nfs/dbraw/zinc/05/65/97/134056597.db2.gz MZVVRIBGBSOSGH-SECBINFHSA-N 0 3 222.292 0.335 20 0 BCADHN CNS(=O)(=O)NCCN1CCCC(C)(C)C1 ZINC000352080402 134061174 /nfs/dbraw/zinc/06/11/74/134061174.db2.gz YKXUSRMUWTVRIE-UHFFFAOYSA-N 0 3 249.380 0.162 20 0 BCADHN C[C@@H](CO)N(C)CCN1CCOC[C@@H]1C ZINC000192769556 134067494 /nfs/dbraw/zinc/06/74/94/134067494.db2.gz DFXCLZLCWBKBMX-QWRGUYRKSA-N 0 3 216.325 0.020 20 0 BCADHN C[C@@H]1CN(CC(=O)NC(N)=O)C(C)(C)C1 ZINC000336060068 134068331 /nfs/dbraw/zinc/06/83/31/134068331.db2.gz IKRHUVSBJMKURL-ZETCQYMHSA-N 0 3 213.281 0.302 20 0 BCADHN C[C@H]1CN(CC(=O)NC(N)=O)C(C)(C)C1 ZINC000336060067 134068484 /nfs/dbraw/zinc/06/84/84/134068484.db2.gz IKRHUVSBJMKURL-SSDOTTSWSA-N 0 3 213.281 0.302 20 0 BCADHN CN1CC[C@H]2CCN(C(=O)CC(C)(C)O)[C@@H]2C1 ZINC000336062229 134069312 /nfs/dbraw/zinc/06/93/12/134069312.db2.gz WEXOOPZBWKXFEM-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)C[C@H]1CCOC1 ZINC000336094141 134079589 /nfs/dbraw/zinc/07/95/89/134079589.db2.gz MEDONZDZKGNMIZ-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1CSCCN(CC(=O)N2CCC2)C1 ZINC000336094831 134079592 /nfs/dbraw/zinc/07/95/92/134079592.db2.gz YLNAIHOICPVCDD-JTQLQIEISA-N 0 3 228.361 0.904 20 0 BCADHN CC[C@]1(O)CCN([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000336107390 134082728 /nfs/dbraw/zinc/08/27/28/134082728.db2.gz HHRODEIIORWXDT-YPMHNXCESA-N 0 3 240.347 0.843 20 0 BCADHN CNC(=O)NC(=O)CN1CC[C@@H]2CCC[C@@H]21 ZINC000336107048 134082813 /nfs/dbraw/zinc/08/28/13/134082813.db2.gz VYPXXEBTVHUPPJ-IUCAKERBSA-N 0 3 225.292 0.316 20 0 BCADHN CC1=C[C@@H](C)CN([C@@H](C)C(=O)NC(N)=O)C1 ZINC000336113332 134087201 /nfs/dbraw/zinc/08/72/01/134087201.db2.gz CPYCRYACGKSKSP-APPZFPTMSA-N 0 3 225.292 0.468 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)[C@](C)(O)C2CC2)C1 ZINC000336141888 134100483 /nfs/dbraw/zinc/10/04/83/134100483.db2.gz LECNDCUPRDDAHS-DGCLKSJQSA-N 0 3 240.347 0.700 20 0 BCADHN CCN(C[C@H](C)O)[C@H](C)C(=O)NC1CC1 ZINC000352202418 134101549 /nfs/dbraw/zinc/10/15/49/134101549.db2.gz JWKNUQMRILPYCE-DTWKUNHWSA-N 0 3 214.309 0.356 20 0 BCADHN CCN(C[C@H](C)O)[C@@H](C)C(=O)N(C)C(C)C ZINC000352203540 134102976 /nfs/dbraw/zinc/10/29/76/134102976.db2.gz SQWFENHVXATFIC-QWRGUYRKSA-N 0 3 230.352 0.944 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)[C@H]1CCCOC1 ZINC000336150680 134104022 /nfs/dbraw/zinc/10/40/22/134104022.db2.gz ZNOPJPIVKKEKNF-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CCCNC(=O)[C@@H](C)N(CC)C[C@@H](C)O ZINC000352204880 134104895 /nfs/dbraw/zinc/10/48/95/134104895.db2.gz YZIHREBPRLMLME-NXEZZACHSA-N 0 3 216.325 0.604 20 0 BCADHN COC1CN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000336157209 134106184 /nfs/dbraw/zinc/10/61/84/134106184.db2.gz NCRPQDQTDRVOEE-UHFFFAOYSA-N 0 3 238.331 0.718 20 0 BCADHN C[C@H]1NCCN(C(=O)Cc2ccon2)[C@@H]1C ZINC000336156086 134106305 /nfs/dbraw/zinc/10/63/05/134106305.db2.gz ZEODQLKTHMBQCC-RKDXNWHRSA-N 0 3 223.276 0.426 20 0 BCADHN CN(C(=O)c1ccnn1C)[C@H]1CCN(C2CC2)C1 ZINC000336156677 134106352 /nfs/dbraw/zinc/10/63/52/134106352.db2.gz WQCMVBAXILTZJA-NSHDSACASA-N 0 3 248.330 0.729 20 0 BCADHN CC(C(=O)N[C@H]1CC1(C)C)S(C)(=O)=O ZINC000336157424 134106633 /nfs/dbraw/zinc/10/66/33/134106633.db2.gz UAFJXYLOSPRSIR-RQJHMYQMSA-N 0 3 219.306 0.334 20 0 BCADHN CCN(C[C@H](C)O)[C@@H](C)C(=O)N(C)C ZINC000352209158 134107323 /nfs/dbraw/zinc/10/73/23/134107323.db2.gz ABFFEPUXWRIHOI-IUCAKERBSA-N 0 3 202.298 0.166 20 0 BCADHN COC[C@@H]1CCN(CC(=O)N2CCC2)C1 ZINC000352214717 134108359 /nfs/dbraw/zinc/10/83/59/134108359.db2.gz TVFNLBZBXJJPHP-SNVBAGLBSA-N 0 3 212.293 0.187 20 0 BCADHN COC1CC(N(C)CCn2cccn2)C1 ZINC000352218947 134108906 /nfs/dbraw/zinc/10/89/06/134108906.db2.gz AKWQIGKWQLPPHL-UHFFFAOYSA-N 0 3 209.293 0.992 20 0 BCADHN CCN(Cc1cccc(C(N)=O)c1)C[C@@H](C)O ZINC000352232645 134113414 /nfs/dbraw/zinc/11/34/14/134113414.db2.gz WCWWGQYNDYRRCE-SNVBAGLBSA-N 0 3 236.315 0.988 20 0 BCADHN COC(=O)CC1CCN(CCOCCO)CC1 ZINC000352241345 134118258 /nfs/dbraw/zinc/11/82/58/134118258.db2.gz KQIWPKSSQBGHFD-UHFFFAOYSA-N 0 3 245.319 0.270 20 0 BCADHN CC1(CN2CCC(S(N)(=O)=O)CC2)CCC1 ZINC000336193827 134124575 /nfs/dbraw/zinc/12/45/75/134124575.db2.gz INKCFEVVWFMPRT-UHFFFAOYSA-N 0 3 246.376 0.930 20 0 BCADHN C[C@]1(F)CNCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000336212122 134135333 /nfs/dbraw/zinc/13/53/33/134135333.db2.gz IEBXDEYZGTYLFW-PWSUYJOCSA-N 0 3 243.326 0.289 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C2(N)CCC2)CN1C1CC1 ZINC000336213116 134135596 /nfs/dbraw/zinc/13/55/96/134135596.db2.gz CVVVXOIPVGCNDZ-VHSXEESVSA-N 0 3 237.347 0.609 20 0 BCADHN CC(C)[C@@H]1CCN(CC(=O)N2CCOCC2)C1 ZINC000336214791 134136305 /nfs/dbraw/zinc/13/63/05/134136305.db2.gz VZEDGMIDUOEGCD-GFCCVEGCSA-N 0 3 240.347 0.823 20 0 BCADHN CSC1(CN2CCOC[C@H](O)C2)CCC1 ZINC000336215539 134137022 /nfs/dbraw/zinc/13/70/22/134137022.db2.gz VINIDVJVGIQLHP-SNVBAGLBSA-N 0 3 231.361 0.965 20 0 BCADHN CSC1(CN2CCOC[C@@H](O)C2)CCC1 ZINC000336215538 134137119 /nfs/dbraw/zinc/13/71/19/134137119.db2.gz VINIDVJVGIQLHP-JTQLQIEISA-N 0 3 231.361 0.965 20 0 BCADHN CCN(C)CCNC(=O)[C@@H](OC)C(C)C ZINC000352876873 134156538 /nfs/dbraw/zinc/15/65/38/134156538.db2.gz MVPOZJWWODXGIX-JTQLQIEISA-N 0 3 216.325 0.725 20 0 BCADHN CCn1cncc1CNC[C@@H](C)N(C)C ZINC000085183667 134225144 /nfs/dbraw/zinc/22/51/44/134225144.db2.gz QHRFNJPTXXSROR-SNVBAGLBSA-N 0 3 210.325 0.943 20 0 BCADHN C[C@H](CNC(=O)c1ccc(N)cn1)N(C)C1CC1 ZINC000217952818 134250865 /nfs/dbraw/zinc/25/08/65/134250865.db2.gz RWKUTDGCCWPOTH-SECBINFHSA-N 0 3 248.330 0.876 20 0 BCADHN C[C@@H](N)C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000169809163 134251805 /nfs/dbraw/zinc/25/18/05/134251805.db2.gz FECISGQEKDKAGU-ZYHUDNBSSA-N 0 3 233.315 0.507 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H](N2CCCC2)C1 ZINC000170712863 134253188 /nfs/dbraw/zinc/25/31/88/134253188.db2.gz AVFUTHCXDIBYFL-LBPRGKRZSA-N 0 3 239.363 0.681 20 0 BCADHN CCCN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000171480098 134258661 /nfs/dbraw/zinc/25/86/61/134258661.db2.gz CNZZHMJAYBPSPJ-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN Cc1cc(S(=O)(=O)NC2CNC2)c(C)s1 ZINC000085256472 134265368 /nfs/dbraw/zinc/26/53/68/134265368.db2.gz BAXIXHKFUIUIFE-UHFFFAOYSA-N 0 3 246.357 0.615 20 0 BCADHN C[C@@H](CNS(=O)(=O)C1CC1)CN1CCCC1 ZINC000173047511 134272547 /nfs/dbraw/zinc/27/25/47/134272547.db2.gz OCDVJJIWEBRBPY-JTQLQIEISA-N 0 3 246.376 0.800 20 0 BCADHN O=S(=O)(C1CC1)N1CC[C@H](N2CCCC2)C1 ZINC000173102961 134273585 /nfs/dbraw/zinc/27/35/85/134273585.db2.gz PWXUFFSBKJAYBF-JTQLQIEISA-N 0 3 244.360 0.649 20 0 BCADHN CS(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000173632237 134275829 /nfs/dbraw/zinc/27/58/29/134275829.db2.gz UCPOQQIYJCQNFI-NSHDSACASA-N 0 3 246.376 0.754 20 0 BCADHN CCOc1cccnc1C(=O)NCCN(C)C ZINC000175004998 134284018 /nfs/dbraw/zinc/28/40/18/134284018.db2.gz RCQPNOWJOJVQMV-UHFFFAOYSA-N 0 3 237.303 0.772 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC[C@H](CC(N)=O)C1 ZINC000175312618 134285175 /nfs/dbraw/zinc/28/51/75/134285175.db2.gz ZGSVVFHDHIHJRS-VHSXEESVSA-N 0 3 241.335 0.051 20 0 BCADHN c1cc(CNC[C@@H]2CN(C3CC3)CCO2)c[nH]1 ZINC000175707731 134286841 /nfs/dbraw/zinc/28/68/41/134286841.db2.gz OZMJYCHDMKQGHH-CYBMUJFWSA-N 0 3 235.331 0.968 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCCOC1)N(C)C ZINC000177954104 134302180 /nfs/dbraw/zinc/30/21/80/134302180.db2.gz DRNWKGZCQJBLPZ-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H](C(=O)N1CCCO[C@H](C)C1)N(C)C ZINC000177975398 134302255 /nfs/dbraw/zinc/30/22/55/134302255.db2.gz NVKHUYPELGNXBY-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1CCN(CCNS(C)(=O)=O)[C@@H]1C ZINC000177897722 134304648 /nfs/dbraw/zinc/30/46/48/134304648.db2.gz JQPTUDVBBJXVMN-RKDXNWHRSA-N 0 3 220.338 0.266 20 0 BCADHN O=C(NC1CCSCC1)[C@@]1(F)CCNC1 ZINC000178490906 134307348 /nfs/dbraw/zinc/30/73/48/134307348.db2.gz WZDHTICWYVBQBC-SNVBAGLBSA-N 0 3 232.324 0.700 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1CCCNCC1 ZINC000178363980 134309155 /nfs/dbraw/zinc/30/91/55/134309155.db2.gz BVNOABCMSXELBV-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000220593338 134309548 /nfs/dbraw/zinc/30/95/48/134309548.db2.gz CIBFJJBIAZJDQY-VXGBXAGGSA-N 0 3 239.363 0.811 20 0 BCADHN C[C@H]1CN(C(=O)C2(N)CCCC2)C[C@H](C)N1 ZINC000178409891 134309977 /nfs/dbraw/zinc/30/99/77/134309977.db2.gz CTUAVQKKMACZPN-UWVGGRQHSA-N 0 3 225.336 0.467 20 0 BCADHN C[C@H]1CN([C@@H]2CCCCNC2=O)CCCO1 ZINC000179300734 134319575 /nfs/dbraw/zinc/31/95/75/134319575.db2.gz MXWFDKJUZUZNGC-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H]([C@@H](C)O)C1)N(C)C ZINC000181047468 134333294 /nfs/dbraw/zinc/33/32/94/134333294.db2.gz BOCABSAMBGLQKK-GMTAPVOTSA-N 0 3 228.336 0.556 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H]([C@@H](C)O)C1)N(C)C ZINC000181047446 134333329 /nfs/dbraw/zinc/33/33/29/134333329.db2.gz BOCABSAMBGLQKK-MXWKQRLJSA-N 0 3 228.336 0.556 20 0 BCADHN COC[C@H](O)CCN[C@@H](C)c1cnccn1 ZINC000222708263 134334215 /nfs/dbraw/zinc/33/42/15/134334215.db2.gz QWVCKIVHKTYHNJ-VHSXEESVSA-N 0 3 225.292 0.525 20 0 BCADHN CCN(CC)CCSc1nnc(CO)n1C ZINC000181323215 134335888 /nfs/dbraw/zinc/33/58/88/134335888.db2.gz YBROAAPWJPTYFX-UHFFFAOYSA-N 0 3 244.364 0.741 20 0 BCADHN CCC[C@](C)(N)C(=O)NC[C@@H](C)OC ZINC000223713966 134339004 /nfs/dbraw/zinc/33/90/04/134339004.db2.gz YAXOJFWXTQKHLJ-SCZZXKLOSA-N 0 3 202.298 0.655 20 0 BCADHN COC(=O)[C@H]1CCCN(C[C@@H](C)OC)C1 ZINC000182118396 134341828 /nfs/dbraw/zinc/34/18/28/134341828.db2.gz IYCKIRGABICMRL-ZJUUUORDSA-N 0 3 215.293 0.906 20 0 BCADHN CO[C@@H](C)CNCc1cnc(N(C)C)n1C ZINC000223945585 134343467 /nfs/dbraw/zinc/34/34/67/134343467.db2.gz YGRAIOVRXWHSBR-VIFPVBQESA-N 0 3 226.324 0.611 20 0 BCADHN COC(C)(C)C(=O)NC[C@H](C)N(C)C ZINC000224038497 134344629 /nfs/dbraw/zinc/34/46/29/134344629.db2.gz BSMLQVZICUJPGU-QMMMGPOBSA-N 0 3 202.298 0.478 20 0 BCADHN COC[C@H](NC[C@@H](O)C(F)F)C1CC1 ZINC000224484981 134348055 /nfs/dbraw/zinc/34/80/55/134348055.db2.gz MRRCMPSDJDWTDH-JGVFFNPUSA-N 0 3 209.236 0.627 20 0 BCADHN CSCC[C@H](N)C(=O)NCCOCC1CC1 ZINC000225400787 134353064 /nfs/dbraw/zinc/35/30/64/134353064.db2.gz FBYGQSJTKJXBDN-JTQLQIEISA-N 0 3 246.376 0.610 20 0 BCADHN CC[C@@H](O)CN[C@H](C(=O)NC)C(C)C ZINC000183642805 134355538 /nfs/dbraw/zinc/35/55/38/134355538.db2.gz ZGZFYIBMZCDRGD-BDAKNGLRSA-N 0 3 202.298 0.118 20 0 BCADHN CC(C(=O)N1CCCC2(CC2)C1)S(C)(=O)=O ZINC000184096579 134357879 /nfs/dbraw/zinc/35/78/79/134357879.db2.gz KJHGLLWTEHMXIV-VIFPVBQESA-N 0 3 245.344 0.822 20 0 BCADHN CC1(C)CN([C@@H]2CCCC[C@H]2O)C[C@H](CO)O1 ZINC000226254242 134362228 /nfs/dbraw/zinc/36/22/28/134362228.db2.gz CMCKSIMNZVZYCP-IJLUTSLNSA-N 0 3 243.347 0.762 20 0 BCADHN CCCC[C@@H](N)C(=O)NCC(C)(C)C(=O)NC ZINC000226691833 134368398 /nfs/dbraw/zinc/36/83/98/134368398.db2.gz NKTYTBVYFGORKR-SECBINFHSA-N 0 3 243.351 0.392 20 0 BCADHN CC[C@H]1CN(C[C@@](C)(O)C(=O)OC)CCS1 ZINC000226672896 134368546 /nfs/dbraw/zinc/36/85/46/134368546.db2.gz PHYQZHXYVNIBTC-GXSJLCMTSA-N 0 3 247.360 0.738 20 0 BCADHN COc1ccnc(NCCOCCN(C)C)n1 ZINC000226738346 134370862 /nfs/dbraw/zinc/37/08/62/134370862.db2.gz HZQACJQTRKERBT-UHFFFAOYSA-N 0 3 240.307 0.475 20 0 BCADHN C[C@H](N[C@H]1CCN(C)C1=O)[C@@H]1CCCO1 ZINC000227067614 134374175 /nfs/dbraw/zinc/37/41/75/134374175.db2.gz FRNQYINNPBXWRJ-GUBZILKMSA-N 0 3 212.293 0.374 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H](COC)C1 ZINC000227086961 134374853 /nfs/dbraw/zinc/37/48/53/134374853.db2.gz BFWKHPYPFIYMEX-RKDXNWHRSA-N 0 3 200.282 0.219 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H]1C[C@H]1C(C)C ZINC000185269903 134375935 /nfs/dbraw/zinc/37/59/35/134375935.db2.gz MBHRPWFASJSRDB-NWDGAFQWSA-N 0 3 242.363 0.973 20 0 BCADHN COCC[C@@](C)(O)CNCc1cncn1C ZINC000227217162 134376508 /nfs/dbraw/zinc/37/65/08/134376508.db2.gz USAQQNDCTIQOKS-LLVKDONJSA-N 0 3 227.308 0.297 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000227326079 134377487 /nfs/dbraw/zinc/37/74/87/134377487.db2.gz SVTITQVPJVGIBX-MNOVXSKESA-N 0 3 234.299 0.498 20 0 BCADHN CCC[C@H](CC)NC(=O)[C@@H](CN)OC ZINC000227380246 134379270 /nfs/dbraw/zinc/37/92/70/134379270.db2.gz RYSXYYLVZWBZEF-DTWKUNHWSA-N 0 3 202.298 0.655 20 0 BCADHN CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@](C)(O)CN(C)C ZINC000185542164 134381548 /nfs/dbraw/zinc/38/15/48/134381548.db2.gz AERWOICRVNSVJN-GVXVVHGQSA-N 0 3 242.363 0.707 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN(C)C1CC1 ZINC000234694674 134384620 /nfs/dbraw/zinc/38/46/20/134384620.db2.gz PBYCUQHYZLFFCB-ONGXEEELSA-N 0 3 217.309 0.493 20 0 BCADHN C[C@H](O)CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000408070613 134386346 /nfs/dbraw/zinc/38/63/46/134386346.db2.gz KCODXIJPSMOFKE-GUBZILKMSA-N 0 3 214.309 0.356 20 0 BCADHN NC(=O)CC[C@H]1CCCN([C@H]2CCOC2)C1 ZINC000408079234 134388528 /nfs/dbraw/zinc/38/85/28/134388528.db2.gz IJUHIFAMVGHIOJ-MNOVXSKESA-N 0 3 226.320 0.753 20 0 BCADHN CCCCCN1CC[C@H](S(N)(=O)=O)C1 ZINC000408087428 134390039 /nfs/dbraw/zinc/39/00/39/134390039.db2.gz DOSUCXVTZDIWKX-VIFPVBQESA-N 0 3 220.338 0.539 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)C1CC=CC1 ZINC000227785268 134395073 /nfs/dbraw/zinc/39/50/73/134395073.db2.gz UGCIOYNSEWRHIQ-JTQLQIEISA-N 0 3 210.277 0.057 20 0 BCADHN C[C@H]1OCC[C@]1(O)CNCc1ccccn1 ZINC000227981372 134396262 /nfs/dbraw/zinc/39/62/62/134396262.db2.gz ZSNNHDJQADFHSW-PWSUYJOCSA-N 0 3 222.288 0.711 20 0 BCADHN CCCCOC[C@H](O)CN1CCCOCC1 ZINC000227906723 134398535 /nfs/dbraw/zinc/39/85/35/134398535.db2.gz UIAVLGCJTYSSOO-GFCCVEGCSA-N 0 3 231.336 0.886 20 0 BCADHN C[C@@]1(C(N)=O)CCCCN1CCn1ccnc1 ZINC000185890641 134398914 /nfs/dbraw/zinc/39/89/14/134398914.db2.gz KVZHZKRXOSJCIK-LBPRGKRZSA-N 0 3 236.319 0.613 20 0 BCADHN CN(C[C@H]1CCCO1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188325560 134507438 /nfs/dbraw/zinc/50/74/38/134507438.db2.gz CMTGMVKCGWRGOR-IVZWLZJFSA-N 0 3 230.283 0.324 20 0 BCADHN C[C@H](O)CC(C)(C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188621864 134532077 /nfs/dbraw/zinc/53/20/77/134532077.db2.gz QUJOLWWULKQWBI-LPEHRKFASA-N 0 3 246.326 0.600 20 0 BCADHN COC(=O)[C@H]1CCN(CCCO)C[C@H]1C ZINC000191843277 134578886 /nfs/dbraw/zinc/57/88/86/134578886.db2.gz ZRGIONZFSMKEGC-ZJUUUORDSA-N 0 3 215.293 0.500 20 0 BCADHN CNCC(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000193138095 134595004 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ZINC000261537190 135174172 /nfs/dbraw/zinc/17/41/72/135174172.db2.gz VDTWTQOIVHFULO-NTSWFWBYSA-N 0 3 210.199 0.887 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCO[C@@H](C)C1 ZINC000261538658 135176474 /nfs/dbraw/zinc/17/64/74/135176474.db2.gz YVTXWACILBNYBL-IUCAKERBSA-N 0 3 212.293 0.374 20 0 BCADHN CC[C@H]1CCCN1C(=O)COC1CNC1 ZINC000261539749 135178567 /nfs/dbraw/zinc/17/85/67/135178567.db2.gz DBURUWQDVRSLEI-VIFPVBQESA-N 0 3 212.293 0.376 20 0 BCADHN CCCOCC(=O)N1CCN[C@H](C)[C@H]1C ZINC000261540063 135178744 /nfs/dbraw/zinc/17/87/44/135178744.db2.gz DRSIMJVQFGFIPH-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN Cc1nn(C)c(NC(=O)[C@H]2CCN2)c1C ZINC000261543470 135183907 /nfs/dbraw/zinc/18/39/07/135183907.db2.gz HVXFBFNJVSLCBP-MRVPVSSYSA-N 0 3 208.265 0.337 20 0 BCADHN CN(CC(C)(C)C)C(=O)COC1CNC1 ZINC000261548348 135186391 /nfs/dbraw/zinc/18/63/91/135186391.db2.gz NNLGJWDPUSJQAG-UHFFFAOYSA-N 0 3 214.309 0.479 20 0 BCADHN CC[C@H](OC)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000261545267 135186999 /nfs/dbraw/zinc/18/69/99/135186999.db2.gz JSXISUWBSKYIBL-BBBLOLIVSA-N 0 3 214.309 0.620 20 0 BCADHN CS[C@H](C)CNC(=O)CCOC1CNC1 ZINC000261549412 135188054 /nfs/dbraw/zinc/18/80/54/135188054.db2.gz OMMQYSZYIFLJJJ-MRVPVSSYSA-N 0 3 232.349 0.233 20 0 BCADHN C[NH2+]CC[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000261550515 135189210 /nfs/dbraw/zinc/18/92/10/135189210.db2.gz PNAIFTZTBVAQSC-UHFFFAOYSA-N 0 3 249.361 0.258 20 0 BCADHN COC(=O)CNC(=O)[C@@H](N)CC1CCCCC1 ZINC000261552973 135191678 /nfs/dbraw/zinc/19/16/78/135191678.db2.gz NNNKLLGMBKMXEO-JTQLQIEISA-N 0 3 242.319 0.573 20 0 BCADHN CCN(CC)CC(=O)N1CCNC(C)(C)C1 ZINC000261552654 135192033 /nfs/dbraw/zinc/19/20/33/135192033.db2.gz RQKXMCXIVRKYCB-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN CC[C@@H]1CCC[C@H]1NC(=O)[C@H](CN)OC ZINC000261554450 135194587 /nfs/dbraw/zinc/19/45/87/135194587.db2.gz UFDXCTHQXZHODM-BBBLOLIVSA-N 0 3 214.309 0.655 20 0 BCADHN CC(C)c1nnc(NC(=O)[C@H]2CCN2)s1 ZINC000261554476 135194747 /nfs/dbraw/zinc/19/47/47/135194747.db2.gz 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228.336 0.903 20 0 BCADHN C[C@H](COCC(F)(F)F)NC(=O)[C@H](C)N ZINC000261568448 135210473 /nfs/dbraw/zinc/21/04/73/135210473.db2.gz FPVCKMZKNRJNFS-RITPCOANSA-N 0 3 228.214 0.417 20 0 BCADHN CC(C)[C@@H]1C[C@H](NC(=O)[C@H](C)N)CCO1 ZINC000261571017 135212906 /nfs/dbraw/zinc/21/29/06/135212906.db2.gz HHQDYMPVFQEOKP-AEJSXWLSSA-N 0 3 214.309 0.653 20 0 BCADHN CC(C)[C@@H]1C[C@@H](NC(=O)[C@@H](C)N)CCO1 ZINC000261571024 135213114 /nfs/dbraw/zinc/21/31/14/135213114.db2.gz HHQDYMPVFQEOKP-UTLUCORTSA-N 0 3 214.309 0.653 20 0 BCADHN CC(C)[C@@H]1C[C@H](NC(=O)[C@@H](C)N)CCO1 ZINC000261571018 135213552 /nfs/dbraw/zinc/21/35/52/135213552.db2.gz HHQDYMPVFQEOKP-BBBLOLIVSA-N 0 3 214.309 0.653 20 0 BCADHN O[C@H](CNCc1ccco1)[C@H]1CCOC1 ZINC000164174559 135214137 /nfs/dbraw/zinc/21/41/37/135214137.db2.gz HHVDWEBXWWSLNL-GXSJLCMTSA-N 0 3 211.261 0.767 20 0 BCADHN OC1(C2CC2)CN(CCN2CCCCC2)C1 ZINC000084377150 135215893 /nfs/dbraw/zinc/21/58/93/135215893.db2.gz FPDUOCQWVBYXCZ-UHFFFAOYSA-N 0 3 224.348 0.929 20 0 BCADHN NCC(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000261585478 135227064 /nfs/dbraw/zinc/22/70/64/135227064.db2.gz QKRKMCPBSUMBQF-QMMMGPOBSA-N 0 3 226.663 0.848 20 0 BCADHN c1cc(CN2CCNC[C@@H]2c2cccnc2)n[nH]1 ZINC000261628811 135241522 /nfs/dbraw/zinc/24/15/22/135241522.db2.gz FDCVACUPLDPVKF-CYBMUJFWSA-N 0 3 243.314 0.951 20 0 BCADHN O=S(=O)([N-]CC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000261662097 135243826 /nfs/dbraw/zinc/24/38/26/135243826.db2.gz JHAYOJQXULNPFI-SECBINFHSA-N 0 3 244.316 0.700 20 0 BCADHN CC(C)[C@H](C)S(=O)(=O)C(C)C(=O)N(C)C ZINC000078844299 135244351 /nfs/dbraw/zinc/24/43/51/135244351.db2.gz JSBKBGCYVZXYTN-IUCAKERBSA-N 0 3 235.349 0.922 20 0 BCADHN C[C@@H](N)C(=O)Nc1cc(C2CCOCC2)[nH]n1 ZINC000261666885 135244807 /nfs/dbraw/zinc/24/48/07/135244807.db2.gz AHHUMWXKGPHCFP-SSDOTTSWSA-N 0 3 238.291 0.589 20 0 BCADHN C[C@@H](N)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000261761500 135250376 /nfs/dbraw/zinc/25/03/76/135250376.db2.gz IATRZYLTNVMNRC-BDAKNGLRSA-N 0 3 222.292 0.811 20 0 BCADHN CN(CC1CCC1)C(=O)[C@H](N)C1CCOCC1 ZINC000261867201 135257993 /nfs/dbraw/zinc/25/79/93/135257993.db2.gz SQTPTSLOCVBNCT-GFCCVEGCSA-N 0 3 240.347 0.999 20 0 BCADHN CC[C@@H]1CN(C(=O)C2CCN(C)CC2)C[C@H]1O ZINC000342265281 135259773 /nfs/dbraw/zinc/25/97/73/135259773.db2.gz LKHSKGQYEHOXPE-ZYHUDNBSSA-N 0 3 240.347 0.558 20 0 BCADHN CNC(=O)c1cccc(CNC(=O)[C@@H](C)N)c1 ZINC000261883833 135259939 /nfs/dbraw/zinc/25/99/39/135259939.db2.gz SCTYQLQZGLYJPA-MRVPVSSYSA-N 0 3 235.287 0.010 20 0 BCADHN C[C@@H]([NH3+])CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000261883897 135259946 /nfs/dbraw/zinc/25/99/46/135259946.db2.gz SERZUDAPCUWLMV-GSVOUGTGSA-N 0 3 237.185 0.499 20 0 BCADHN C[C@@H]([NH3+])CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000261883897 135259947 /nfs/dbraw/zinc/25/99/47/135259947.db2.gz SERZUDAPCUWLMV-GSVOUGTGSA-N 0 3 237.185 0.499 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000261896253 135261179 /nfs/dbraw/zinc/26/11/79/135261179.db2.gz UNTUBNWZTZDPHY-ZYUZMQFOSA-N 0 3 226.320 0.653 20 0 BCADHN O[C@@H]1CCCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000342415903 135266556 /nfs/dbraw/zinc/26/65/56/135266556.db2.gz NYHLFYCPEIGQPZ-UPJWGTAASA-N 0 3 240.347 0.306 20 0 BCADHN CCNC(=O)CN1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000262085509 135277465 /nfs/dbraw/zinc/27/74/65/135277465.db2.gz FZIRZNFHUSEFHR-QWHCGFSZSA-N 0 3 247.342 0.549 20 0 BCADHN COCCNCCNC(=O)C1CCSCC1 ZINC000262087905 135277923 /nfs/dbraw/zinc/27/79/23/135277923.db2.gz GKOJGVQRCMQSMR-UHFFFAOYSA-N 0 3 246.376 0.482 20 0 BCADHN Cc1[nH]n(C)c2nnc(NC(=O)C3(N)CC3)c1-2 ZINC000262158615 135282790 /nfs/dbraw/zinc/28/27/90/135282790.db2.gz SGXHSOGRFOLSIK-UHFFFAOYSA-N 0 3 234.263 0.035 20 0 BCADHN CCOCCNC(=O)NC1CCN(C)CC1 ZINC000079205373 135294381 /nfs/dbraw/zinc/29/43/81/135294381.db2.gz XBJMUCSRJQHLJX-UHFFFAOYSA-N 0 3 229.324 0.416 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000342544509 135295445 /nfs/dbraw/zinc/29/54/45/135295445.db2.gz LBMXHJLGSYXQHL-BBBLOLIVSA-N 0 3 245.392 0.228 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)CCC(=O)N(C)C ZINC000342628698 135297290 /nfs/dbraw/zinc/29/72/90/135297290.db2.gz GXYAJRHSNVNSCZ-RFAUZJTJSA-N 0 3 234.365 0.164 20 0 BCADHN CCNC(=O)CN(C)[C@@H]1CCN(C(C)C)C1 ZINC000342628854 135297956 /nfs/dbraw/zinc/29/79/56/135297956.db2.gz BLRUENVRDCKSGI-LLVKDONJSA-N 0 3 227.352 0.537 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1[C@H](C)CC[C@H]1C ZINC000342645183 135300141 /nfs/dbraw/zinc/30/01/41/135300141.db2.gz GELCNIJVFPYXRN-BBBLOLIVSA-N 0 3 242.319 0.666 20 0 BCADHN CN(CC[C@@H]1CCCO1)[C@H]1CCCNC1=O ZINC000342609567 135302508 /nfs/dbraw/zinc/30/25/08/135302508.db2.gz UZINMVISFVBTRY-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)CCCC(=O)NC ZINC000262578752 135306619 /nfs/dbraw/zinc/30/66/19/135306619.db2.gz PNBWGNNYYFSZDN-LBPRGKRZSA-N 0 3 243.351 0.489 20 0 BCADHN CS[C@H]1CN(c2nnc(C)o2)C[C@@H]1N(C)C ZINC000342696453 135306715 /nfs/dbraw/zinc/30/67/15/135306715.db2.gz BBPGEMSSXSKNBV-IUCAKERBSA-N 0 3 242.348 0.860 20 0 BCADHN C[C@H](CO)CCCNC(=O)NCCN(C)C ZINC000342672203 135309062 /nfs/dbraw/zinc/30/90/62/135309062.db2.gz ZWGBCMCJMDRAKY-JTQLQIEISA-N 0 3 231.340 0.256 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000342671887 135309064 /nfs/dbraw/zinc/30/90/64/135309064.db2.gz VQRPWZHHIXPJEJ-UTLUCORTSA-N 0 3 242.319 0.524 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NC[C@H]1C[C@@H]1C ZINC000342745700 135309984 /nfs/dbraw/zinc/30/99/84/135309984.db2.gz ZTDNZCCXAGPTAI-YIZRAAEISA-N 0 3 228.292 0.039 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NCC(C)(C)C ZINC000342740065 135310037 /nfs/dbraw/zinc/31/00/37/135310037.db2.gz TYLSRFINAFOVDS-QMMMGPOBSA-N 0 3 230.308 0.429 20 0 BCADHN CC(C)[C@H](C(=O)N(C)[C@H]1CCOC1)N(C)C ZINC000342711436 135314120 /nfs/dbraw/zinc/31/41/20/135314120.db2.gz AJFHGFSINFZZPZ-WDEREUQCSA-N 0 3 228.336 0.820 20 0 BCADHN CCN(C(=O)[C@H](N)CCC(=O)OC)C1CC1 ZINC000342719268 135314335 /nfs/dbraw/zinc/31/43/35/135314335.db2.gz FKRGQXGAAXGDTO-SECBINFHSA-N 0 3 228.292 0.278 20 0 BCADHN CCN(CC)CC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262715800 135315924 /nfs/dbraw/zinc/31/59/24/135315924.db2.gz DMZRHXNASMFXSX-WDEREUQCSA-N 0 3 227.352 0.537 20 0 BCADHN COC(=O)CN(C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000342735589 135316881 /nfs/dbraw/zinc/31/68/81/135316881.db2.gz IAFITZVAJGNDTK-NXEZZACHSA-N 0 3 242.319 0.491 20 0 BCADHN C[C@@H]1NCCN(C(=O)[C@H]2CCCCO2)[C@H]1C ZINC000262789443 135318021 /nfs/dbraw/zinc/31/80/21/135318021.db2.gz MUQPHGRQMGOZLI-GARJFASQSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)COCC1CC1 ZINC000262821568 135319648 /nfs/dbraw/zinc/31/96/48/135319648.db2.gz SOZMNZFKGYBVNO-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1CCCOC1 ZINC000262841448 135320836 /nfs/dbraw/zinc/32/08/36/135320836.db2.gz XLJIEGDJGPOPPV-AXFHLTTASA-N 0 3 226.320 0.622 20 0 BCADHN Cc1nnc2c(NC[C@H](C)N(C)C)nccn12 ZINC000079468645 135322228 /nfs/dbraw/zinc/32/22/28/135322228.db2.gz UDLKVKGMDZTRJJ-QMMMGPOBSA-N 0 3 234.307 0.795 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H](C)C1 ZINC000342759644 135325462 /nfs/dbraw/zinc/32/54/62/135325462.db2.gz ZXUGKYNVWMWEIW-RKDXNWHRSA-N 0 3 228.292 0.135 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@H]1CCCO1 ZINC000342912562 135334235 /nfs/dbraw/zinc/33/42/35/135334235.db2.gz QMSSSKGQLBWFCB-VHSXEESVSA-N 0 3 229.324 0.415 20 0 BCADHN CN(C(=O)[C@@H]1CCCO1)[C@@H]1CCN(C2CC2)C1 ZINC000334287655 135340266 /nfs/dbraw/zinc/34/02/66/135340266.db2.gz HWRVVXADJQMFQB-NEPJUHHUSA-N 0 3 238.331 0.861 20 0 BCADHN CC[C@H](CO)NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000342995010 135342880 /nfs/dbraw/zinc/34/28/80/135342880.db2.gz MGRVLZBJVQRKBE-HBNTYKKESA-N 0 3 243.351 0.539 20 0 BCADHN CC1(C)CCC(NC(=O)C(=O)NCCN)CC1 ZINC000079675301 135344254 /nfs/dbraw/zinc/34/42/54/135344254.db2.gz ZTBTXHMOKMIBLI-UHFFFAOYSA-N 0 3 241.335 0.146 20 0 BCADHN CCN(CC)C[C@H](C)NC(=O)C(=O)NC1CC1 ZINC000343014978 135344432 /nfs/dbraw/zinc/34/44/32/135344432.db2.gz PDMUTXDSWKYMSK-VIFPVBQESA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@H](CO)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000342966895 135344964 /nfs/dbraw/zinc/34/49/64/135344964.db2.gz SDVWZCNALFRYFF-NXEZZACHSA-N 0 3 241.335 0.293 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CC(CCO)C1 ZINC000343018721 135345372 /nfs/dbraw/zinc/34/53/72/135345372.db2.gz WZYGOMDPPDPWCV-PHIMTYICSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N1CC(CCO)C1 ZINC000343018722 135345463 /nfs/dbraw/zinc/34/54/63/135345463.db2.gz WZYGOMDPPDPWCV-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN CN1C[C@@H]2CN(c3nnc(C4CC4)o3)C[C@@H]2C1 ZINC000343056280 135345721 /nfs/dbraw/zinc/34/57/21/135345721.db2.gz WRLZMHIWNYZHJJ-AOOOYVTPSA-N 0 3 234.303 0.945 20 0 BCADHN O=C1NC[C@H]2CN(CC[C@H]3CCOC3)CCN12 ZINC000334326035 135353618 /nfs/dbraw/zinc/35/36/18/135353618.db2.gz BFDFULKUECWGFK-QWRGUYRKSA-N 0 3 239.319 0.122 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NC[C@@H](C)O ZINC000343129794 135359285 /nfs/dbraw/zinc/35/92/85/135359285.db2.gz HKHUEMQNVGZZAN-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN 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Cc1c[nH]nc1CN[C@H](C)[C@H]1CN(C)CCO1 ZINC000685618631 487562901 /nfs/dbraw/zinc/56/29/01/487562901.db2.gz LZAAJLJDEYRCEZ-ZYHUDNBSSA-N 0 3 238.335 0.527 20 0 BCADHN CCN(Cc1ccccn1)C[C@H]1CNCCO1 ZINC000094916673 487563853 /nfs/dbraw/zinc/56/38/53/487563853.db2.gz JJTHCPJXFOSKCO-CYBMUJFWSA-N 0 3 235.331 0.892 20 0 BCADHN CCNC(=O)c1ccc(N2CCN[C@H](C)C2)nn1 ZINC000095008798 487565366 /nfs/dbraw/zinc/56/53/66/487565366.db2.gz RHBACIKUSXAPMR-SECBINFHSA-N 0 3 249.318 0.024 20 0 BCADHN COCCNCC(=O)N[C@@H](C(C)C)C1CC1 ZINC000324274353 487567408 /nfs/dbraw/zinc/56/74/08/487567408.db2.gz OMAWJEWNBOVPSJ-LBPRGKRZSA-N 0 3 228.336 0.773 20 0 BCADHN CC[C@@H](Cn1cncn1)NCc1cc(C)[nH]n1 ZINC000685647813 487569814 /nfs/dbraw/zinc/56/98/14/487569814.db2.gz YUQNIGSDLGPPCN-JTQLQIEISA-N 0 3 234.307 0.878 20 0 BCADHN CC[C@@H](Cn1cncn1)NCc1cc(C)n[nH]1 ZINC000685647813 487569817 /nfs/dbraw/zinc/56/98/17/487569817.db2.gz YUQNIGSDLGPPCN-JTQLQIEISA-N 0 3 234.307 0.878 20 0 BCADHN CC(C)OCCC(=O)N1CCCNCC1 ZINC000236786795 167195740 /nfs/dbraw/zinc/19/57/40/167195740.db2.gz QXRZUZRDTZMPOQ-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN COCCN1CCC[C@H]1CNC(=O)CCCF ZINC000668262391 487570719 /nfs/dbraw/zinc/57/07/19/487570719.db2.gz OJRZFJCLAOVVPO-NSHDSACASA-N 0 3 246.326 0.963 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@H](N)CC(C)C)C1 ZINC000151883382 487571969 /nfs/dbraw/zinc/57/19/69/487571969.db2.gz FZSKKMJMSXBTTB-WDEREUQCSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000680351181 487572413 /nfs/dbraw/zinc/57/24/13/487572413.db2.gz VYJRHZGVVNSCPF-ZETCQYMHSA-N 0 3 248.286 0.622 20 0 BCADHN CC(C)OCCC(=O)N[C@H](C)CN(C)C ZINC000346227772 167201733 /nfs/dbraw/zinc/20/17/33/167201733.db2.gz QPTLGNUSJUSJKV-SNVBAGLBSA-N 0 3 216.325 0.868 20 0 BCADHN Cn1cnc(C(=O)N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000685722439 487575449 /nfs/dbraw/zinc/57/54/49/487575449.db2.gz CGDSMNKLLWSISQ-SNVBAGLBSA-N 0 3 249.318 0.029 20 0 BCADHN CC(C)OCCCN(C)[C@@H](C)C(=O)NC(N)=O ZINC000354204821 167209384 /nfs/dbraw/zinc/20/93/84/167209384.db2.gz PIKVSOWFQBYYHC-VIFPVBQESA-N 0 3 245.323 0.317 20 0 BCADHN C[C@H]1SCC[C@@H]1NC(=O)CNC1CC1 ZINC000393665842 487576686 /nfs/dbraw/zinc/57/66/86/487576686.db2.gz ASTPLCAACFJFAP-APPZFPTMSA-N 0 3 214.334 0.749 20 0 BCADHN C[C@@H]1SCC[C@H]1NC(=O)CNC1CC1 ZINC000393665848 487576748 /nfs/dbraw/zinc/57/67/48/487576748.db2.gz ASTPLCAACFJFAP-IONNQARKSA-N 0 3 214.334 0.749 20 0 BCADHN C[C@H](CNCCc1cccnc1)S(C)(=O)=O ZINC000565476773 322903942 /nfs/dbraw/zinc/90/39/42/322903942.db2.gz UXCXAWXONSGTKR-SNVBAGLBSA-N 0 3 242.344 0.647 20 0 BCADHN CNC(=O)[C@H]1CCCCN1C[C@@H](C)CO ZINC000120790409 490068699 /nfs/dbraw/zinc/06/86/99/490068699.db2.gz AWANVHFFQLOQOH-NXEZZACHSA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)OCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000680387557 487581586 /nfs/dbraw/zinc/58/15/86/487581586.db2.gz XDAPFHWFBZOAQJ-LLVKDONJSA-N 0 3 243.351 0.805 20 0 BCADHN CC(C)C[C@@H](N)C(=O)Nc1ccnn1C ZINC000082247844 487583078 /nfs/dbraw/zinc/58/30/78/487583078.db2.gz PLRKKUUZAFMUPQ-MRVPVSSYSA-N 0 3 210.281 0.732 20 0 BCADHN CC(C)OCCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000364959352 167236149 /nfs/dbraw/zinc/23/61/49/167236149.db2.gz ZEHUPDIJHQAEOY-SDDRHHMPSA-N 0 3 240.347 0.997 20 0 BCADHN CCOC[C@@H](C)N[C@@H](C)C(=O)N(C)C ZINC000044724391 322910687 /nfs/dbraw/zinc/91/06/87/322910687.db2.gz LYQSGJBDRYZIBH-BDAKNGLRSA-N 0 3 202.298 0.478 20 0 BCADHN CC[C@H](OC)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388504 487585701 /nfs/dbraw/zinc/58/57/01/487585701.db2.gz AFCVZDBTBBGVOI-HLTSFMKQSA-N 0 3 218.272 0.309 20 0 BCADHN CC(C)OC[C@@H](C)NCC(=O)N1CCOCC1 ZINC000337284682 167255058 /nfs/dbraw/zinc/25/50/58/167255058.db2.gz JOOMKGIXHXXNQQ-LLVKDONJSA-N 0 3 244.335 0.248 20 0 BCADHN CN1CCC[C@H](NC(=O)Cc2cscn2)C1 ZINC000082283503 487587380 /nfs/dbraw/zinc/58/73/80/487587380.db2.gz XYIHOCOIFIYTIX-VIFPVBQESA-N 0 3 239.344 0.896 20 0 BCADHN CC(C)OC[C@@H](C)N[C@@H]1CS(=O)(=O)C[C@H]1C ZINC000348118628 167256153 /nfs/dbraw/zinc/25/61/53/167256153.db2.gz OLZGSQQTCQFJMV-GMTAPVOTSA-N 0 3 249.376 0.823 20 0 BCADHN Nc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)nc1 ZINC000659388303 487587583 /nfs/dbraw/zinc/58/75/83/487587583.db2.gz AZJBQDJAXPQXCK-RKDXNWHRSA-N 0 3 238.266 0.175 20 0 BCADHN Cc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cn1 ZINC000659389116 487588167 /nfs/dbraw/zinc/58/81/67/487588167.db2.gz JEYHGENONURXHR-GHMZBOCLSA-N 0 3 237.278 0.901 20 0 BCADHN CC[C@H](N)C(=O)NCC1(CO)CCCCC1 ZINC000162567706 487589076 /nfs/dbraw/zinc/58/90/76/487589076.db2.gz HGZZTLMXBBUCAU-JTQLQIEISA-N 0 3 228.336 0.783 20 0 BCADHN C[C@@H]1C[C@@H](NCC(=O)N(C)C)CS1 ZINC000086934772 487590345 /nfs/dbraw/zinc/59/03/45/487590345.db2.gz FZWNTASYQGAHHC-HTQZYQBOSA-N 0 3 202.323 0.558 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@H](C)[C@H](O)C1 ZINC000351830374 167269595 /nfs/dbraw/zinc/26/95/95/167269595.db2.gz SDULVDZERPAIST-HBNTYKKESA-N 0 3 217.309 0.085 20 0 BCADHN C[C@H](N[C@@H]1CS[C@H](C)C1)C(=O)N(C)C ZINC000086934886 487591888 /nfs/dbraw/zinc/59/18/88/487591888.db2.gz YXFHOMBMMSNLIJ-VGMNWLOBSA-N 0 3 216.350 0.947 20 0 BCADHN C[C@H](N[C@H]1CS[C@@H](C)C1)C(=O)N(C)C ZINC000086934889 487591865 /nfs/dbraw/zinc/59/18/65/487591865.db2.gz YXFHOMBMMSNLIJ-XHNCKOQMSA-N 0 3 216.350 0.947 20 0 BCADHN CCNC(=O)CN[C@H]1CS[C@H](C)C1 ZINC000086934868 487592137 /nfs/dbraw/zinc/59/21/37/487592137.db2.gz GIWQFADRHROTTG-HTQZYQBOSA-N 0 3 202.323 0.606 20 0 BCADHN CCNC(=O)CN[C@@H]1CS[C@@H](C)C1 ZINC000086934867 487591957 /nfs/dbraw/zinc/59/19/57/487591957.db2.gz GIWQFADRHROTTG-YUMQZZPRSA-N 0 3 202.323 0.606 20 0 BCADHN CCN1CC[C@H](N[C@H]2COCC2(C)C)C1=O ZINC000660737551 487592363 /nfs/dbraw/zinc/59/23/63/487592363.db2.gz NVTVXNBJOUKUBI-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@H](CN1CCN2C[C@H](O)C[C@H]2C1)OC ZINC000653828975 487594632 /nfs/dbraw/zinc/59/46/32/487594632.db2.gz OGIWDUPOWIQLRZ-TUAOUCFPSA-N 0 3 228.336 0.162 20 0 BCADHN CC(C)C(=O)NCCN(C)[C@@H]1CCCC[C@H]1O ZINC000305721847 487602575 /nfs/dbraw/zinc/60/25/75/487602575.db2.gz KBYGUXAGVHUOLO-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN O=C1NCC[C@@H]1N1CCc2ccccc2CC1 ZINC000532584609 487602949 /nfs/dbraw/zinc/60/29/49/487602949.db2.gz SIVMASYFXTVOFY-ZDUSSCGKSA-N 0 3 230.311 0.976 20 0 BCADHN CCCn1nccc1CN[C@@H](CO)CCOC ZINC000305912216 487604245 /nfs/dbraw/zinc/60/42/45/487604245.db2.gz IXBQLSVJONCZSQ-LLVKDONJSA-N 0 3 241.335 0.780 20 0 BCADHN C[C@@H](C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)N(C)C ZINC000674690143 487606111 /nfs/dbraw/zinc/60/61/11/487606111.db2.gz UZLRFSMLJGRFLJ-OUAUKWLOSA-N 0 3 239.363 0.678 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H]1CC12CCC2 ZINC000675321902 487609235 /nfs/dbraw/zinc/60/92/35/487609235.db2.gz HVGLBHZIVNHIBS-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN CN(CCN1CCOCC1)CC1=CCSC1 ZINC000662268684 409573728 /nfs/dbraw/zinc/57/37/28/409573728.db2.gz HKTZDRWEKUDOPI-UHFFFAOYSA-N 0 3 242.388 0.924 20 0 BCADHN COC[C@@H](CN1CCNC[C@@](C)(F)C1)OC ZINC000662274724 409584298 /nfs/dbraw/zinc/58/42/98/409584298.db2.gz WIHBNUXELRQXOZ-GHMZBOCLSA-N 0 3 234.315 0.281 20 0 BCADHN COC[C@@H](CN1CCNC[C@](C)(F)C1)OC ZINC000662274726 409586187 /nfs/dbraw/zinc/58/61/87/409586187.db2.gz WIHBNUXELRQXOZ-MNOVXSKESA-N 0 3 234.315 0.281 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C[C@@H]1CCC2(CNC2)O1 ZINC000662276409 409591686 /nfs/dbraw/zinc/59/16/86/409591686.db2.gz IKPNATXARAVSBI-WOPDTQHZSA-N 0 3 240.347 0.617 20 0 BCADHN CC[C@@H](NC)C(=O)NCC(=O)NC1CCCC1 ZINC000662420841 409704813 /nfs/dbraw/zinc/70/48/13/409704813.db2.gz KGJYKSVWBTXILQ-SNVBAGLBSA-N 0 3 241.335 0.159 20 0 BCADHN CN1CC[C@@H]2CN(Cc3csnn3)C[C@@H]21 ZINC000660722084 409648810 /nfs/dbraw/zinc/64/88/10/409648810.db2.gz FIDMTIJTQJQCDQ-SCZZXKLOSA-N 0 3 224.333 0.674 20 0 BCADHN COc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)o1 ZINC000655463010 487610285 /nfs/dbraw/zinc/61/02/85/487610285.db2.gz BJUQPGDHZATCQJ-YUMQZZPRSA-N 0 3 242.250 0.718 20 0 BCADHN NC(=O)C[C@@H]1COCCN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660759237 409722020 /nfs/dbraw/zinc/72/20/20/409722020.db2.gz YXAAZKDIOWLRLM-WRWGMCAJSA-N 0 3 238.331 0.609 20 0 BCADHN CCN1CC[C@@H](N2CC[C@@H](CCCO)C2)C1=O ZINC000660758779 409723092 /nfs/dbraw/zinc/72/30/92/409723092.db2.gz BKWCWBSMKYPJKC-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@H](NC)C(=O)Nc1cccc(C(N)=O)c1 ZINC000662448239 409723108 /nfs/dbraw/zinc/72/31/08/409723108.db2.gz KCLANSIJRHUIRI-JTQLQIEISA-N 0 3 235.287 0.722 20 0 BCADHN CC(C)O[C@@H]1CCCN(C(=O)C2(N)CC2)C1 ZINC000404567250 409747162 /nfs/dbraw/zinc/74/71/62/409747162.db2.gz YESGICHGNFPCER-SNVBAGLBSA-N 0 3 226.320 0.894 20 0 BCADHN CC1(C)C[C@H](N2CC[C@@H](O)[C@H](CO)C2)CO1 ZINC000660812370 409779697 /nfs/dbraw/zinc/77/96/97/409779697.db2.gz RRGQVWAOSQHCIK-GARJFASQSA-N 0 3 229.320 0.229 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCC[C@@H](COC)OC ZINC000662618231 409787568 /nfs/dbraw/zinc/78/75/68/409787568.db2.gz WBNQZXITKHTFIE-DCAQKATOSA-N 0 3 246.351 0.528 20 0 BCADHN C[C@@]12COC[C@]1(C)CN(C(=O)C1(N)CCC1)C2 ZINC000662639070 409806536 /nfs/dbraw/zinc/80/65/36/409806536.db2.gz IMFBWHYNJNPUIK-TXEJJXNPSA-N 0 3 238.331 0.753 20 0 BCADHN CNC(=O)[C@@H]1CCN(CCO[C@H]2CC2(F)F)C1 ZINC000660831150 409810073 /nfs/dbraw/zinc/81/00/73/409810073.db2.gz DGECISSTVFRJEE-BDAKNGLRSA-N 0 3 248.273 0.479 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2cncs2)C1 ZINC000660832153 409810669 /nfs/dbraw/zinc/81/06/69/409810669.db2.gz IQSCIQDOCMQTGS-MRVPVSSYSA-N 0 3 225.317 0.711 20 0 BCADHN C[C@@H](O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655350383 409923151 /nfs/dbraw/zinc/92/31/51/409923151.db2.gz MZTYXRIGXUGDRG-MXWKQRLJSA-N 0 3 226.320 0.500 20 0 BCADHN COCCNCC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000662706458 409858980 /nfs/dbraw/zinc/85/89/80/409858980.db2.gz VYODEAMFFWYPHJ-NXEZZACHSA-N 0 3 212.293 0.091 20 0 BCADHN CCC[C@@H](C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655297538 409868096 /nfs/dbraw/zinc/86/80/96/409868096.db2.gz LKQHIKNKHPYPED-GRYCIOLGSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](O)CCN(C)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000314322805 409875846 /nfs/dbraw/zinc/87/58/46/409875846.db2.gz DYWNFFUPSNRWER-YNEHKIRRSA-N 0 3 244.379 0.798 20 0 BCADHN O=C(NCc1ncccc1[O-])[C@H]1CCC[NH2+]CC1 ZINC000653150046 409876122 /nfs/dbraw/zinc/87/61/22/409876122.db2.gz PWQUHHZSBHFUNM-JTQLQIEISA-N 0 3 249.314 0.793 20 0 BCADHN Cc1nnsc1CN[C@H](C)[C@H](C)CO ZINC000308588069 409886026 /nfs/dbraw/zinc/88/60/26/409886026.db2.gz TWIJATHFJNEGOR-RNFRBKRXSA-N 0 3 215.322 0.953 20 0 BCADHN CN(C[C@H]1COCCO1)C(=O)C1(N)CCCC1 ZINC000662874588 409962020 /nfs/dbraw/zinc/96/20/20/409962020.db2.gz PIMUSATUGQXTTE-JTQLQIEISA-N 0 3 242.319 0.132 20 0 BCADHN COC[C@@H](CN(C[C@@H](C)O)C1CC1)OC ZINC000660925896 409973846 /nfs/dbraw/zinc/97/38/46/409973846.db2.gz ISGYKAPDHFPLIV-MWLCHTKSSA-N 0 3 217.309 0.493 20 0 BCADHN CC(C)[C@H](O)CNC(C)(C)C(=O)N(C)C ZINC000308939731 409949671 /nfs/dbraw/zinc/94/96/71/409949671.db2.gz PQGIAFOCYZJLAG-SECBINFHSA-N 0 3 216.325 0.460 20 0 BCADHN Cc1cc2nccc(NC(=O)CNC(C)C)n2n1 ZINC000662992766 410016393 /nfs/dbraw/zinc/01/63/93/410016393.db2.gz JESLIWDPHSFOCB-UHFFFAOYSA-N 0 3 247.302 0.974 20 0 BCADHN CN(C[C@H]1CC1(C)C)C(=O)C[C@@H]1CNCCO1 ZINC000662991358 410016481 /nfs/dbraw/zinc/01/64/81/410016481.db2.gz SSGPHQSXHBTQQU-GHMZBOCLSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)[C@H](C)CNC(=O)CN1CCNCC1 ZINC000081087977 487612109 /nfs/dbraw/zinc/61/21/09/487612109.db2.gz AXJFDPKYPKSSST-LLVKDONJSA-N 0 3 227.352 0.300 20 0 BCADHN CC(C)(N)C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000653175172 410150481 /nfs/dbraw/zinc/15/04/81/410150481.db2.gz PZHCBPFSPFWPGI-JTQLQIEISA-N 0 3 238.287 0.917 20 0 BCADHN Cc1ccc(C(=O)NC[C@H](C)N2CCCC2)nn1 ZINC000556809311 322925890 /nfs/dbraw/zinc/92/58/90/322925890.db2.gz BJXMUICRIZVDHL-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN CC[C@H](NC(=O)C1(N)CCC1)[C@H]1CCCO1 ZINC000653173133 410145875 /nfs/dbraw/zinc/14/58/75/410145875.db2.gz DUTZWDYCNWFYJB-VHSXEESVSA-N 0 3 226.320 0.942 20 0 BCADHN O=C([C@H]1CCc2nccn2C1)N1CCCNCC1 ZINC000655411949 410215094 /nfs/dbraw/zinc/21/50/94/410215094.db2.gz JEHSSYHMQBNNFT-NSHDSACASA-N 0 3 248.330 0.267 20 0 BCADHN C[C@@H](CN(C)C[C@@H]1CCOC1)CS(C)(=O)=O ZINC000119618773 410174878 /nfs/dbraw/zinc/17/48/78/410174878.db2.gz AULWOEFZQFQFDT-QWRGUYRKSA-N 0 3 249.376 0.635 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000309011775 410196847 /nfs/dbraw/zinc/19/68/47/410196847.db2.gz SCYONYVCWDJGMH-XHNCKOQMSA-N 0 3 200.282 0.265 20 0 BCADHN CO[C@@H]1CCCC[C@H]1NC(=O)CNC1CC1 ZINC000653256067 410238305 /nfs/dbraw/zinc/23/83/05/410238305.db2.gz VUQNWAAZEXBOGG-GHMZBOCLSA-N 0 3 226.320 0.812 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)COCC1CC1 ZINC000653254983 410238383 /nfs/dbraw/zinc/23/83/83/410238383.db2.gz FSIQHSCCGQSMQS-PSASIEDQSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@@H](COCC1CC1)NC(=O)CNC1CC1 ZINC000653255242 410235074 /nfs/dbraw/zinc/23/50/74/410235074.db2.gz MMHYXZMVNZTMJH-VIFPVBQESA-N 0 3 226.320 0.670 20 0 BCADHN CC(C)CNC(=O)CN[C@H](CO)C1CCC1 ZINC000661155353 410308805 /nfs/dbraw/zinc/30/88/05/410308805.db2.gz FBGGGHOZGVINQY-LLVKDONJSA-N 0 3 228.336 0.509 20 0 BCADHN COC(=O)CN1CCN(C)[C@@H](C(C)C)C1 ZINC000261052402 487614978 /nfs/dbraw/zinc/61/49/78/487614978.db2.gz JZLYDXGJCZJEIS-SNVBAGLBSA-N 0 3 214.309 0.431 20 0 BCADHN CN1CCC[C@@H](NC(=O)N[C@@H](CO)CCF)C1 ZINC000650724974 410360093 /nfs/dbraw/zinc/36/00/93/410360093.db2.gz QHVORSQWIVLKPL-NXEZZACHSA-N 0 3 247.314 0.100 20 0 BCADHN CC(C)N1CCCC[C@H]1Cn1cnn(C)c1=O ZINC000664003839 410427318 /nfs/dbraw/zinc/42/73/18/410427318.db2.gz NLMOMXUGDIYSCE-NSHDSACASA-N 0 3 238.335 0.845 20 0 BCADHN C[C@@H](CNC(=O)N1CC[C@H]2C[C@H]2C1)N(C)C ZINC000661274136 410441968 /nfs/dbraw/zinc/44/19/68/410441968.db2.gz DNHNNGOBHOVMEB-DCAQKATOSA-N 0 3 225.336 0.988 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1COC(C)(C)C1)N(C)C ZINC000661273862 410443901 /nfs/dbraw/zinc/44/39/01/410443901.db2.gz AQBYZVYTDMETKA-UWVGGRQHSA-N 0 3 243.351 0.803 20 0 BCADHN CN(CC[C@@H]1CCS(=O)(=O)C1)C1CC(O)C1 ZINC000680581756 487616544 /nfs/dbraw/zinc/61/65/44/487616544.db2.gz ZWCPVPMUOWESEL-KPPDAEKUSA-N 0 3 247.360 0.266 20 0 BCADHN Cc1nc[nH]c1C(=O)N1CCNC(C)(C)C1 ZINC000635643882 410533222 /nfs/dbraw/zinc/53/32/22/410533222.db2.gz 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COC[C@H](NC1COCCOC1)C1CC1 ZINC000393776999 410758677 /nfs/dbraw/zinc/75/86/77/410758677.db2.gz OBDSOYBPBIHBLD-NSHDSACASA-N 0 3 215.293 0.416 20 0 BCADHN CO[C@H](CN[C@@H](C)C(=O)NC(C)C)C1CC1 ZINC000393941531 410768529 /nfs/dbraw/zinc/76/85/29/410768529.db2.gz JDYHMNZVEMEHRF-GXSJLCMTSA-N 0 3 228.336 0.914 20 0 BCADHN C[C@H](NCc1cnc(N(C)C)n1C)C(C)(C)O ZINC000393956913 410771040 /nfs/dbraw/zinc/77/10/40/410771040.db2.gz HLJQOIDYMGXKKT-VIFPVBQESA-N 0 3 240.351 0.735 20 0 BCADHN CCC(C)(C)N1CCN(C(=O)[C@H](C)N)CC1 ZINC000655493166 410816818 /nfs/dbraw/zinc/81/68/18/410816818.db2.gz DEBGJUVKQGMMQJ-JTQLQIEISA-N 0 3 227.352 0.666 20 0 BCADHN C[C@H](CNC(=O)C[C@@H](C)n1ccnc1)N(C)C ZINC000651088927 410793318 /nfs/dbraw/zinc/79/33/18/410793318.db2.gz RTLLPTHYXAQVTR-GHMZBOCLSA-N 0 3 238.335 0.901 20 0 BCADHN Cc1cnc(CCNC(=O)[C@@H](C)N)c(C)c1 ZINC000655488575 410798228 /nfs/dbraw/zinc/79/82/28/410798228.db2.gz HYZFTXFQANVWIF-SNVBAGLBSA-N 0 3 221.304 0.704 20 0 BCADHN COCC1(CNC(=O)[C@@H](N)C2CCC2)CC1 ZINC000655489904 410804694 /nfs/dbraw/zinc/80/46/94/410804694.db2.gz AKDSHQOBXCXOAT-JTQLQIEISA-N 0 3 226.320 0.657 20 0 BCADHN COCC1(CNC(=O)C(C)(C)N)CC1 ZINC000655490516 410806661 /nfs/dbraw/zinc/80/66/61/410806661.db2.gz MILXWXWJKKLPPG-UHFFFAOYSA-N 0 3 200.282 0.267 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000655484081 410748671 /nfs/dbraw/zinc/74/86/71/410748671.db2.gz LIBKCDDAZVEUJT-ONGXEEELSA-N 0 3 233.315 0.747 20 0 BCADHN COCCOC[C@@H](O)CN1CC(C(C)C)C1 ZINC000651136204 410829691 /nfs/dbraw/zinc/82/96/91/410829691.db2.gz KSVMYEVNTUWQRF-LBPRGKRZSA-N 0 3 231.336 0.598 20 0 BCADHN C[C@@H](O)[C@H](C)NCC(=O)Nc1ccccc1 ZINC000395773927 410861387 /nfs/dbraw/zinc/86/13/87/410861387.db2.gz SLLOAVZHXCRTDL-VHSXEESVSA-N 0 3 222.288 0.984 20 0 BCADHN C[C@@H](O)[C@@H](C)NCC(=O)Nc1ccccc1 ZINC000395773925 410862289 /nfs/dbraw/zinc/86/22/89/410862289.db2.gz SLLOAVZHXCRTDL-NXEZZACHSA-N 0 3 222.288 0.984 20 0 BCADHN C[NH2+]C[C@@H](C)NC(=O)c1cc(OC)ccc1[O-] ZINC000310309685 487619120 /nfs/dbraw/zinc/61/91/20/487619120.db2.gz SUNKDPXMFJSAFL-MRVPVSSYSA-N 0 3 238.287 0.739 20 0 BCADHN CCC[C@](C)(N)C(=O)NCc1cc[nH]n1 ZINC000041016477 410903811 /nfs/dbraw/zinc/90/38/11/410903811.db2.gz RXISRTKXOTZBJQ-JTQLQIEISA-N 0 3 210.281 0.543 20 0 BCADHN CC(C)N1CC[C@H](N(C)[C@H]2CCC[C@H]2O)C1=O ZINC000352658783 167026094 /nfs/dbraw/zinc/02/60/94/167026094.db2.gz GMSBPEYZRKMZHA-SDDRHHMPSA-N 0 3 240.347 0.841 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@H](CO)CC1 ZINC000331992271 167050743 /nfs/dbraw/zinc/05/07/43/167050743.db2.gz NRYDFBPQMSAZNU-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)NC(=O)CN1CCCC[C@H]1C(=N)NO ZINC000374175946 167052349 /nfs/dbraw/zinc/05/23/49/167052349.db2.gz PYDMADOJUXUGRI-VIFPVBQESA-N 0 3 242.323 0.322 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H](O)C1(C)C ZINC000335898643 167053507 /nfs/dbraw/zinc/05/35/07/167053507.db2.gz RGMWBLSYUKVTBD-VIFPVBQESA-N 0 3 214.309 0.356 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000375037004 167054694 /nfs/dbraw/zinc/05/46/94/167054694.db2.gz IRSKWFJUQDEGSP-VXGBXAGGSA-N 0 3 239.363 0.537 20 0 BCADHN CC(C)NC(=O)CNC1CCOCC1 ZINC000036304732 167058358 /nfs/dbraw/zinc/05/83/58/167058358.db2.gz YBDWWRNKRROJGV-UHFFFAOYSA-N 0 3 200.282 0.280 20 0 BCADHN CC(C)NCC(=O)Nc1ccc(CC(N)=O)cc1 ZINC000037610236 167096873 /nfs/dbraw/zinc/09/68/73/167096873.db2.gz LBOWDHFYWGYPPJ-UHFFFAOYSA-N 0 3 249.314 0.651 20 0 BCADHN CC(C)NCC(=O)N[C@@H](C)CN1CCCC1=O ZINC000037769299 167096920 /nfs/dbraw/zinc/09/69/20/167096920.db2.gz PFXIRFKAJXDLMK-JTQLQIEISA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)NCC(=O)Nc1ccccc1C(N)=O ZINC000037394686 167098473 /nfs/dbraw/zinc/09/84/73/167098473.db2.gz OSZUWICUDUBJFA-UHFFFAOYSA-N 0 3 235.287 0.722 20 0 BCADHN CC(C)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000091436930 167134160 /nfs/dbraw/zinc/13/41/60/167134160.db2.gz KNAHZWZOJIQMSN-SNVBAGLBSA-N 0 3 236.319 0.914 20 0 BCADHN CC(C)OCC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000361906903 167180827 /nfs/dbraw/zinc/18/08/27/167180827.db2.gz JSEABYIGOJHISL-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)OCC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000361906904 167181992 /nfs/dbraw/zinc/18/19/92/167181992.db2.gz JSEABYIGOJHISL-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)OCCCN1CCN(CCO)CC1 ZINC000049821840 167212568 /nfs/dbraw/zinc/21/25/68/167212568.db2.gz MJFOFVQVCBIPOK-UHFFFAOYSA-N 0 3 230.352 0.411 20 0 BCADHN CC(C)OC[C@@H](C)N[C@@H](C)C(=O)N(C)C ZINC000336745834 167257843 /nfs/dbraw/zinc/25/78/43/167257843.db2.gz BKRMPIMDTBHARV-ZJUUUORDSA-N 0 3 216.325 0.866 20 0 BCADHN CC(C)OC[C@@H](C)N[C@H]1CC(=O)N(C)C1 ZINC000336760619 167258784 /nfs/dbraw/zinc/25/87/84/167258784.db2.gz MGSPTQXUNFSHPX-ZJUUUORDSA-N 0 3 214.309 0.620 20 0 BCADHN CC(C)OC[C@H](C)NC1(C(N)=O)CC1 ZINC000336696434 167263751 /nfs/dbraw/zinc/26/37/51/167263751.db2.gz TVTJUGHAAJAEPP-QMMMGPOBSA-N 0 3 200.282 0.407 20 0 BCADHN CC(C)OC[C@H](C)N[C@@H]1CC(=O)N(C)C1 ZINC000336760617 167266565 /nfs/dbraw/zinc/26/65/65/167266565.db2.gz MGSPTQXUNFSHPX-VHSXEESVSA-N 0 3 214.309 0.620 20 0 BCADHN CC(C)OC[C@H](C)N[C@H](C)CS(C)(=O)=O ZINC000336766493 167267469 /nfs/dbraw/zinc/26/74/69/167267469.db2.gz SAHGIGPLFUFDHZ-VHSXEESVSA-N 0 3 237.365 0.823 20 0 BCADHN CC(C)OC[C@H](O)CN1CCC[C@H](CO)C1 ZINC000070199414 167267905 /nfs/dbraw/zinc/26/79/05/167267905.db2.gz GRIIGSXZEPNDQO-NWDGAFQWSA-N 0 3 231.336 0.477 20 0 BCADHN CCC(C)(C)N1CCN(C(=O)CN)CC1 ZINC000655495425 410913509 /nfs/dbraw/zinc/91/35/09/410913509.db2.gz XXFQEUDCRFXMBA-UHFFFAOYSA-N 0 3 213.325 0.278 20 0 BCADHN CC(C)[C@@H](C(=O)NCC(F)(F)CO)N(C)C ZINC000332515607 167341789 /nfs/dbraw/zinc/34/17/89/167341789.db2.gz OTJSTLVOLFQQMS-QMMMGPOBSA-N 0 3 238.278 0.316 20 0 BCADHN CC(C)[C@@H](C(=O)N(CCO)CC1CC1)N(C)C ZINC000340750863 167343433 /nfs/dbraw/zinc/34/34/33/167343433.db2.gz XXUJDXAYDZSLHH-LBPRGKRZSA-N 0 3 242.363 0.804 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H](C)C(=O)N(C)C)N(C)C ZINC000359334265 167344316 /nfs/dbraw/zinc/34/43/16/167344316.db2.gz SFDWVWCDSHPMSJ-ZJUUUORDSA-N 0 3 243.351 0.166 20 0 BCADHN 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ZINC000399021386 411009257 /nfs/dbraw/zinc/00/92/57/411009257.db2.gz IBTFYFMUZNILHP-SNVBAGLBSA-N 0 3 222.292 0.127 20 0 BCADHN Cc1nccc(CNC(=O)[C@@H](N)C2CCC2)n1 ZINC000399089594 411014159 /nfs/dbraw/zinc/01/41/59/411014159.db2.gz VYMYUXHOWQGDBD-NSHDSACASA-N 0 3 234.303 0.529 20 0 BCADHN C[C@@H](O)CCCN(C)C[C@@H]1COCCO1 ZINC000661612018 411054596 /nfs/dbraw/zinc/05/45/96/411054596.db2.gz OBDWNSSCDBIJKI-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN C[C@H](Cn1cccn1)NC1COCCOC1 ZINC000393815552 411065801 /nfs/dbraw/zinc/06/58/01/411065801.db2.gz GEEARAQSEYEYAX-SNVBAGLBSA-N 0 3 225.292 0.277 20 0 BCADHN O[C@@H]1CCCC[C@H]1CN1CCOC[C@@H](O)C1 ZINC000399994969 411073645 /nfs/dbraw/zinc/07/36/45/411073645.db2.gz VZPLBYSHZYEKEL-SDDRHHMPSA-N 0 3 229.320 0.231 20 0 BCADHN CC(=O)[C@@](C)(O)CN1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661623288 411078354 /nfs/dbraw/zinc/07/83/54/411078354.db2.gz YPFLOLIGGUFEJP-SPFNVWMYSA-N 0 3 229.320 0.275 20 0 BCADHN C[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@@H](C)C1O ZINC000661625384 411083662 /nfs/dbraw/zinc/08/36/62/411083662.db2.gz LUHLXLGOFAFLGK-PRJMDXOYSA-N 0 3 241.253 0.858 20 0 BCADHN OCCCNCc1cnnn1-c1ccccc1 ZINC000651667056 411133800 /nfs/dbraw/zinc/13/38/00/411133800.db2.gz WLLHYRHKALKNIQ-UHFFFAOYSA-N 0 3 232.287 0.739 20 0 BCADHN CCN(CCn1nc2ccccn2c1=O)C1CC1 ZINC000045771040 411148869 /nfs/dbraw/zinc/14/88/69/411148869.db2.gz RGIMDETXHVFVLE-UHFFFAOYSA-N 0 3 246.314 0.980 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000119034982 411150018 /nfs/dbraw/zinc/15/00/18/411150018.db2.gz XRYRJVGHIPOFEX-MXWKQRLJSA-N 0 3 236.319 0.830 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1Cc1ccc(O)cc1 ZINC000651937594 411152018 /nfs/dbraw/zinc/15/20/18/411152018.db2.gz PWPWGXZOHHHZPD-WCQYABFASA-N 0 3 237.299 0.974 20 0 BCADHN C[C@@H](Cn1cncn1)N[C@H](CO)c1ccccc1 ZINC000657883575 411152563 /nfs/dbraw/zinc/15/25/63/411152563.db2.gz CMUHLMHFRWWWFZ-WCQYABFASA-N 0 3 246.314 0.990 20 0 BCADHN CC(C)n1nccc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651939089 411154404 /nfs/dbraw/zinc/15/44/04/411154404.db2.gz SULTVAPDTRDDMX-AOOOYVTPSA-N 0 3 236.319 0.818 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2cccnc2)C1 ZINC000651941147 411154457 /nfs/dbraw/zinc/15/44/57/411154457.db2.gz MZTJFFFZSZNOIG-AOOOYVTPSA-N 0 3 205.261 0.435 20 0 BCADHN COC[C@@H](CCO)N[C@H]1COC2(CCC2)C1 ZINC000657889026 411154502 /nfs/dbraw/zinc/15/45/02/411154502.db2.gz PFURBLHVDFINKV-GHMZBOCLSA-N 0 3 229.320 0.685 20 0 BCADHN COC[C@H](CCO)N[C@H]1COC2(CCC2)C1 ZINC000657889032 411154677 /nfs/dbraw/zinc/15/46/77/411154677.db2.gz PFURBLHVDFINKV-WDEREUQCSA-N 0 3 229.320 0.685 20 0 BCADHN Cc1ccoc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651939378 411154794 /nfs/dbraw/zinc/15/47/94/411154794.db2.gz DAZAOXJDUCLGGZ-DTORHVGOSA-N 0 3 208.261 0.942 20 0 BCADHN Cc1ncsc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651939517 411155083 /nfs/dbraw/zinc/15/50/83/411155083.db2.gz IGXVWFPSGNYTLK-OCAPTIKFSA-N 0 3 225.317 0.805 20 0 BCADHN C[C@@H](CNC(=O)[C@H](C)N)c1ccncc1 ZINC000309508893 411155433 /nfs/dbraw/zinc/15/54/33/411155433.db2.gz WSAUWRGSSOGOMU-IUCAKERBSA-N 0 3 207.277 0.649 20 0 BCADHN C[C@H](CO)CN1CCC(N2CN=NC2=O)CC1 ZINC000653652284 411156868 /nfs/dbraw/zinc/15/68/68/411156868.db2.gz WTWFXDWAIIBLPU-VIFPVBQESA-N 0 3 240.307 0.249 20 0 BCADHN CC(C)CNC(=O)N[C@H](CN)C(F)(F)F ZINC000655910059 411157562 /nfs/dbraw/zinc/15/75/62/411157562.db2.gz LJUGGCMNKMWQQE-ZCFIWIBFSA-N 0 3 227.230 0.831 20 0 BCADHN Cc1ncc(CNCC[C@]2(O)CCOC2)cn1 ZINC000651942335 411157678 /nfs/dbraw/zinc/15/76/78/411157678.db2.gz DECBROFQBBGMNT-LBPRGKRZSA-N 0 3 237.303 0.416 20 0 BCADHN NC[C@H](NC(=O)Nc1cn[nH]c1)C(F)(F)F ZINC000655913730 411157935 /nfs/dbraw/zinc/15/79/35/411157935.db2.gz IHPSLBGBBLHDQO-YFKPBYRVSA-N 0 3 237.185 0.421 20 0 BCADHN Cc1nocc1CNCC[C@@]1(O)CCOC1 ZINC000651944973 411158125 /nfs/dbraw/zinc/15/81/25/411158125.db2.gz LZYJBKIPROZAGW-LLVKDONJSA-N 0 3 226.276 0.614 20 0 BCADHN OCCOCCCN[C@@H]1CCCn2ccnc21 ZINC000655751300 411160212 /nfs/dbraw/zinc/16/02/12/411160212.db2.gz KXIWCMMMCPRGMZ-LLVKDONJSA-N 0 3 239.319 0.707 20 0 BCADHN OCCOCCCN[C@H]1CCCn2ccnc21 ZINC000655751301 411160405 /nfs/dbraw/zinc/16/04/05/411160405.db2.gz KXIWCMMMCPRGMZ-NSHDSACASA-N 0 3 239.319 0.707 20 0 BCADHN CN(C)CCNC(=O)COc1ccccc1F ZINC000047653856 411160595 /nfs/dbraw/zinc/16/05/95/411160595.db2.gz KCEFOJIMTIEDQA-UHFFFAOYSA-N 0 3 240.278 0.882 20 0 BCADHN Cn1nccc1CNCC[C@@]1(O)CCCOC1 ZINC000652039449 411090963 /nfs/dbraw/zinc/09/09/63/411090963.db2.gz GEGALISRHLUSOO-LBPRGKRZSA-N 0 3 239.319 0.441 20 0 BCADHN CN1CC[C@@H](N2CCC[C@@](O)(C3CC3)C2)C1=O ZINC000661627654 411101137 /nfs/dbraw/zinc/10/11/37/411101137.db2.gz KWUHJLPLQMYKCG-YPMHNXCESA-N 0 3 238.331 0.454 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CNC[C@H](C)OC)C1(F)F ZINC000894534038 583478824 /nfs/dbraw/zinc/47/88/24/583478824.db2.gz WRSUCMDETXJTHW-RNJXMRFFSA-N 0 3 237.246 0.665 20 0 BCADHN NCC(=O)N1Cc2cc(F)c(F)cc2C1 ZINC000655501988 411110573 /nfs/dbraw/zinc/11/05/73/411110573.db2.gz VYCWTZLFPKVOTD-UHFFFAOYSA-N 0 3 212.199 0.766 20 0 BCADHN COc1ccnc(C(=O)N2CCCNCC2)c1 ZINC000214110054 411113171 /nfs/dbraw/zinc/11/31/71/411113171.db2.gz SRYQWFNCVDRMFJ-UHFFFAOYSA-N 0 3 235.287 0.526 20 0 BCADHN CCN1CC[C@H](N2CC[C@@]3(CCOC3)C2)C1=O ZINC000659997540 411161956 /nfs/dbraw/zinc/16/19/56/411161956.db2.gz JVPJNZASLLUXPT-WCQYABFASA-N 0 3 238.331 0.720 20 0 BCADHN C[C@@H](CNC(=O)NCC[C@H]1CCCO1)N(C)C ZINC000652137087 411126029 /nfs/dbraw/zinc/12/60/29/411126029.db2.gz XKMSJPFQTRNWNB-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CCN(CCO)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000659879850 411178058 /nfs/dbraw/zinc/17/80/58/411178058.db2.gz YOCSUBYUAHXAKL-SDDRHHMPSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1noc([C@H](C)N2C[C@H](O)[C@@H](N(C)C)C2)n1 ZINC000653687292 411179071 /nfs/dbraw/zinc/17/90/71/411179071.db2.gz XTKPWGWCQXXGKD-HGNGGELXSA-N 0 3 240.307 0.046 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](C)N)[C@@H](C)CO1 ZINC000403742967 411181751 /nfs/dbraw/zinc/18/17/51/411181751.db2.gz KCHNQUGPBCOFEO-XHNCKOQMSA-N 0 3 200.282 0.360 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NCC[C@@]1(O)CCOC1 ZINC000652264140 411182756 /nfs/dbraw/zinc/18/27/56/411182756.db2.gz CFPXMXMGRFWQDU-BXKDBHETSA-N 0 3 239.319 0.910 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NCC[C@]1(O)CCOC1 ZINC000652264143 411182867 /nfs/dbraw/zinc/18/28/67/411182867.db2.gz CFPXMXMGRFWQDU-SKDRFNHKSA-N 0 3 239.319 0.910 20 0 BCADHN CN1CCC[C@@H](NC(=O)NCC2COC2)C1 ZINC000527797939 411243612 /nfs/dbraw/zinc/24/36/12/411243612.db2.gz DPUUTDUKGACMFF-SNVBAGLBSA-N 0 3 227.308 0.026 20 0 BCADHN Cc1cnc(OC2CCN(CCO)CC2)nc1 ZINC000653799820 411184819 /nfs/dbraw/zinc/18/48/19/411184819.db2.gz CGLMVWISYPRMAN-UHFFFAOYSA-N 0 3 237.303 0.621 20 0 BCADHN Cc1cc([C@@H](C)N[C@H]2C[C@@H](C(N)=O)C2)nn1C ZINC000652260642 411184874 /nfs/dbraw/zinc/18/48/74/411184874.db2.gz POEFAIRTHFSXJL-BBBLOLIVSA-N 0 3 236.319 0.643 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000659248993 411189866 /nfs/dbraw/zinc/18/98/66/411189866.db2.gz KRSAPMAXROTFIV-SNVBAGLBSA-N 0 3 241.335 0.110 20 0 BCADHN CN1C[C@H]2CCN(C(=O)COC(F)F)[C@H]2C1 ZINC000644818512 411191043 /nfs/dbraw/zinc/19/10/43/411191043.db2.gz NZICSDSMSWNDHL-SFYZADRCSA-N 0 3 234.246 0.388 20 0 BCADHN C[C@]12COC[C@@H]1CN(C[C@@H](O)C(F)(F)F)C2 ZINC000661700733 411192001 /nfs/dbraw/zinc/19/20/01/411192001.db2.gz GSUJXGROLJSBKI-YIZRAAEISA-N 0 3 239.237 0.878 20 0 BCADHN CC[C@@H](C)CN1CCN(c2nncn2C)CC1 ZINC000653820687 411192426 /nfs/dbraw/zinc/19/24/26/411192426.db2.gz OPHTYKCDDWTIKW-LLVKDONJSA-N 0 3 237.351 0.983 20 0 BCADHN O=C1CC[C@@H](CNCc2cccc(O)c2)N1 ZINC000070628056 411193306 /nfs/dbraw/zinc/19/33/06/411193306.db2.gz IOTYPFZBEIASFS-JTQLQIEISA-N 0 3 220.272 0.760 20 0 BCADHN COCC[C@@H](CO)N[C@H]1CCCn2nccc21 ZINC000658002573 411194873 /nfs/dbraw/zinc/19/48/73/411194873.db2.gz WBSBFUAZMGPVFM-QWRGUYRKSA-N 0 3 239.319 0.705 20 0 BCADHN C[C@H](N[C@H]1COC2(CCC2)C1)C(=O)NCCF ZINC000658004299 411194925 /nfs/dbraw/zinc/19/49/25/411194925.db2.gz XQBVOLPMIYHQTQ-VHSXEESVSA-N 0 3 244.310 0.762 20 0 BCADHN CNCC(=O)N(C)c1ccccc1OC ZINC000049972285 411248299 /nfs/dbraw/zinc/24/82/99/411248299.db2.gz KHMFLLSBMVQGSW-UHFFFAOYSA-N 0 3 208.261 0.877 20 0 BCADHN NC(=O)[C@@]1(NCC2CC(F)(F)C2)CCOC1 ZINC000653847425 411198716 /nfs/dbraw/zinc/19/87/16/411198716.db2.gz WVVZJEBKNSBFAV-SECBINFHSA-N 0 3 234.246 0.266 20 0 BCADHN COCC(COC)N[C@H]1COC2(CCC2)C1 ZINC000658028717 411205813 /nfs/dbraw/zinc/20/58/13/411205813.db2.gz DRMUBRMQJPYHGE-SNVBAGLBSA-N 0 3 229.320 0.949 20 0 BCADHN CCN1C[C@@H](N[C@@H]2COC3(CCC3)C2)CC1=O ZINC000658030346 411207581 /nfs/dbraw/zinc/20/75/81/411207581.db2.gz QPGWPHUMLMXAQH-QWRGUYRKSA-N 0 3 238.331 0.908 20 0 BCADHN CC[C@H](N[C@H]1COC2(CCC2)C1)C(=O)NC ZINC000658032698 411210185 /nfs/dbraw/zinc/21/01/85/411210185.db2.gz SXTPQFPIQMHWQG-ZJUUUORDSA-N 0 3 226.320 0.812 20 0 BCADHN NC[C@H](NC(=O)[C@@H]1CC12CC2)C(F)(F)F ZINC000655519251 411211018 /nfs/dbraw/zinc/21/10/18/411211018.db2.gz QTCCQHUQYNZSPY-WDSKDSINSA-N 0 3 222.210 0.792 20 0 BCADHN COC[C@H](NC(=O)N1CCCNCC1)C(C)C ZINC000571865122 411218343 /nfs/dbraw/zinc/21/83/43/411218343.db2.gz YCKFHWJAIXENFP-NSHDSACASA-N 0 3 243.351 0.662 20 0 BCADHN CC(C)NC(=O)NCCN(C[C@@H](C)O)C1CC1 ZINC000653903116 411219730 /nfs/dbraw/zinc/21/97/30/411219730.db2.gz DWXUAURABUWHCX-SNVBAGLBSA-N 0 3 243.351 0.539 20 0 BCADHN COc1cccc(C[C@H](C)N[C@H]2CCNC2=O)n1 ZINC000658052248 411219891 /nfs/dbraw/zinc/21/98/91/411219891.db2.gz ITGYBPPPZCRVNL-ONGXEEELSA-N 0 3 249.314 0.499 20 0 BCADHN CO[C@](C)(CO)CNCc1ccc(O)cc1 ZINC000656267961 411222570 /nfs/dbraw/zinc/22/25/70/411222570.db2.gz PBUWAWHUXPLQBI-LBPRGKRZSA-N 0 3 225.288 0.879 20 0 BCADHN CCn1cc([C@H](C)NC[C@@](C)(CO)OC)cn1 ZINC000655784381 411223104 /nfs/dbraw/zinc/22/31/04/411223104.db2.gz BSXXDYQCCZHGNM-JQWIXIFHSA-N 0 3 241.335 0.951 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1cn[nH]c1 ZINC000069763471 411224470 /nfs/dbraw/zinc/22/44/70/411224470.db2.gz ZVALFGREYIBFTH-SCZZXKLOSA-N 0 3 224.308 0.742 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)Cc1cn[nH]c1 ZINC000069763505 411224481 /nfs/dbraw/zinc/22/44/81/411224481.db2.gz QAZIRVNSFQSNLM-SECBINFHSA-N 0 3 210.281 0.351 20 0 BCADHN CO[C@@](C)(CO)CN[C@H](C)c1c[nH]nc1C ZINC000655784906 411224884 /nfs/dbraw/zinc/22/48/84/411224884.db2.gz HLLPTMNGZQQABA-LDYMZIIASA-N 0 3 227.308 0.766 20 0 BCADHN Cc1ccc(CN2CC[C@@H](NC(=O)CN)C2)cc1 ZINC000145153531 487620416 /nfs/dbraw/zinc/62/04/16/487620416.db2.gz CNQYBPIDIMJYFY-CYBMUJFWSA-N 0 3 247.342 0.644 20 0 BCADHN Cc1ccncc1CN(C)C[C@@H]1CNC(=O)C1 ZINC000660451506 411166021 /nfs/dbraw/zinc/16/60/21/411166021.db2.gz XIRWUNQMIZYCCN-NSHDSACASA-N 0 3 233.315 0.958 20 0 BCADHN CC1(O)CCN(CCc2cn[nH]n2)CC1 ZINC000660002142 411166992 /nfs/dbraw/zinc/16/69/92/411166992.db2.gz KEUBOHLOALNDGK-UHFFFAOYSA-N 0 3 210.281 0.194 20 0 BCADHN C[C@@H](O)CN1CCN(C[C@H]2CCSC2)CC1 ZINC000425982494 411167711 /nfs/dbraw/zinc/16/77/11/411167711.db2.gz XEGNJFCHQOERCL-VXGBXAGGSA-N 0 3 244.404 0.738 20 0 BCADHN C[C@H]1CC[C@H](NCC(=O)N(C)C)CS1 ZINC000655710899 411263227 /nfs/dbraw/zinc/26/32/27/411263227.db2.gz GVXUQRCMIKLVQY-IUCAKERBSA-N 0 3 216.350 0.948 20 0 BCADHN C[C@@H]1C[C@H](O)CN1CCO[C@H]1CC1(F)F ZINC000660148385 411264056 /nfs/dbraw/zinc/26/40/56/411264056.db2.gz KXSYNNOUQXZGQG-VGMNWLOBSA-N 0 3 221.247 0.866 20 0 BCADHN CCS(=O)(=O)C1(CNC(C)C)CC1 ZINC000658299498 411327150 /nfs/dbraw/zinc/32/71/50/411327150.db2.gz OOXXZERXXLDEME-UHFFFAOYSA-N 0 3 205.323 0.952 20 0 BCADHN CC[C@H](N)c1cn(-c2ccnn2C)nn1 ZINC000656456422 411265511 /nfs/dbraw/zinc/26/55/11/411265511.db2.gz BTGXRERLXPNUHY-ZETCQYMHSA-N 0 3 206.253 0.411 20 0 BCADHN CN(C)C[C@H](O)CN[C@@H]1CCCn2ccnc21 ZINC000655712987 411267289 /nfs/dbraw/zinc/26/72/89/411267289.db2.gz SXQDJFFNIYDXHP-GHMZBOCLSA-N 0 3 238.335 0.230 20 0 BCADHN CN(C)CCc1cn(-c2ccnc(CO)c2)nn1 ZINC000656458772 411267414 /nfs/dbraw/zinc/26/74/14/411267414.db2.gz GNFSZYUPEQXJAB-UHFFFAOYSA-N 0 3 247.302 0.259 20 0 BCADHN CN1CCC[C@H](N[C@H]2COC3(CCC3)C2)C1=O ZINC000656683569 411327412 /nfs/dbraw/zinc/32/74/12/411327412.db2.gz IZDRQAVVXSFFMT-MNOVXSKESA-N 0 3 238.331 0.908 20 0 BCADHN C[C@H](N[C@@H]1CCCS(=O)(=O)C1)C1(CO)CC1 ZINC000658155340 411268928 /nfs/dbraw/zinc/26/89/28/411268928.db2.gz PHWJYVNZWBJELR-VHSXEESVSA-N 0 3 247.360 0.314 20 0 BCADHN COCC[C@@H](C)[NH2+]Cc1nnc(COC)[n-]1 ZINC000658158159 411271307 /nfs/dbraw/zinc/27/13/07/411271307.db2.gz GQFGXPPZFMOTTO-MRVPVSSYSA-N 0 3 228.296 0.466 20 0 BCADHN COCc1n[nH]c(CN[C@@H](COC)C(C)C)n1 ZINC000658158138 411271454 /nfs/dbraw/zinc/27/14/54/411271454.db2.gz GDLFSWFWVDRKIY-VIFPVBQESA-N 0 3 242.323 0.712 20 0 BCADHN CC[C@](C)(N)c1cn(CC2(C)COC2)nn1 ZINC000656453120 411274610 /nfs/dbraw/zinc/27/46/10/411274610.db2.gz HEWZRBZBKJQKRC-NSHDSACASA-N 0 3 224.308 0.899 20 0 BCADHN CC(C)(N)c1cn(CC2(C)COC2)nn1 ZINC000656453403 411275814 /nfs/dbraw/zinc/27/58/14/411275814.db2.gz JPPWACNZLCQMJT-UHFFFAOYSA-N 0 3 210.281 0.508 20 0 BCADHN CN(C)c1cccc(CNC(CO)CO)c1 ZINC000653733495 411276454 /nfs/dbraw/zinc/27/64/54/411276454.db2.gz RZLIMMFPXCUAAD-UHFFFAOYSA-N 0 3 224.304 0.195 20 0 BCADHN COCCCOCCN(C)CCc1cn[nH]n1 ZINC000660169808 411278159 /nfs/dbraw/zinc/27/81/59/411278159.db2.gz BVGDEHLVCGJKJE-UHFFFAOYSA-N 0 3 242.323 0.332 20 0 BCADHN C[C@@H]1C[C@H](Nc2ncnn2C)CCN1C ZINC000653464968 411281631 /nfs/dbraw/zinc/28/16/31/411281631.db2.gz NSGUFWDHEIQNEZ-RKDXNWHRSA-N 0 3 209.297 0.132 20 0 BCADHN CCn1cc(CN[C@@H](C)CCCCO)nn1 ZINC000658176426 411282789 /nfs/dbraw/zinc/28/27/89/411282789.db2.gz MLAXYPVOCZSSAH-JTQLQIEISA-N 0 3 226.324 0.939 20 0 BCADHN CCN1CC[C@H](NC(=O)c2cc(C)nnc2C)C1 ZINC000665669597 411289242 /nfs/dbraw/zinc/28/92/42/411289242.db2.gz DZZIXFMPJFGZGE-NSHDSACASA-N 0 3 248.330 0.917 20 0 BCADHN CCCN(CC)C[C@H](C)N=c1nc[nH]n1C ZINC000653469824 411290713 /nfs/dbraw/zinc/29/07/13/411290713.db2.gz LXIVNQXTAYPJRF-JTQLQIEISA-N 0 3 225.340 0.769 20 0 BCADHN CC(C)N(C)C[C@H](C)N=c1nc[nH]n1C ZINC000653470087 411291639 /nfs/dbraw/zinc/29/16/39/411291639.db2.gz UHOZHMUWKYMFGR-VIFPVBQESA-N 0 3 211.313 0.378 20 0 BCADHN O[C@]12C[C@H]1CN(CCc1cn[nH]c1)CC2 ZINC000661723821 411291829 /nfs/dbraw/zinc/29/18/29/411291829.db2.gz VMYCYWBBXBVNPA-WDEREUQCSA-N 0 3 207.277 0.409 20 0 BCADHN CCN(C(=O)NCCCOC)[C@H]1CCN(C)C1 ZINC000656540773 411293913 /nfs/dbraw/zinc/29/39/13/411293913.db2.gz RCXAZGBMEAZHBT-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2(N)CCC2)[C@@H](C)O1 ZINC000384529812 411294798 /nfs/dbraw/zinc/29/47/98/411294798.db2.gz CLNBBUVVOVMKCA-IWSPIJDZSA-N 0 3 212.293 0.550 20 0 BCADHN CCn1ncnc1Cn1cc([C@@H](N)C(C)C)nn1 ZINC000384531391 411295286 /nfs/dbraw/zinc/29/52/86/411295286.db2.gz KIQZJABLRWGIAF-NSHDSACASA-N 0 3 249.322 0.594 20 0 BCADHN C[C@H](CN(C)C)Nc1nc(C(N)=O)cs1 ZINC000336649962 411330247 /nfs/dbraw/zinc/33/02/47/411330247.db2.gz LEELLJOMJBZAOE-ZCFIWIBFSA-N 0 3 228.321 0.604 20 0 BCADHN CN(CCNC(=O)N[C@H]1C[C@@H](CO)C1)C1CC1 ZINC000636778212 411300679 /nfs/dbraw/zinc/30/06/79/411300679.db2.gz ZTZCHRWEGGAEFH-AOOOYVTPSA-N 0 3 241.335 0.151 20 0 BCADHN COC[C@H](NCc1cncn1C)C1CC1 ZINC000121336565 411300994 /nfs/dbraw/zinc/30/09/94/411300994.db2.gz DWVRJOSUCQSODN-NSHDSACASA-N 0 3 209.293 0.935 20 0 BCADHN CCC[C@@H](O)CNC(=O)C1CCN(C)CC1 ZINC000355108574 411301745 /nfs/dbraw/zinc/30/17/45/411301745.db2.gz KLXLJLOPRPYUOO-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN OCC1(CO)CCN(Cc2ccsc2)C1 ZINC000661951978 411330619 /nfs/dbraw/zinc/33/06/19/411330619.db2.gz XWBKYHJSOQKCMT-UHFFFAOYSA-N 0 3 227.329 0.925 20 0 BCADHN CCN(CCCO)Cc1ccc(N)nc1 ZINC000124663887 411307418 /nfs/dbraw/zinc/30/74/18/411307418.db2.gz BPGLVCTYWOWAFD-UHFFFAOYSA-N 0 3 209.293 0.868 20 0 BCADHN CCN(C(=O)CNC1CC1)[C@H]1CCCOC1 ZINC000402677625 411307449 /nfs/dbraw/zinc/30/74/49/411307449.db2.gz GCTAYBXYAFKJMR-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN CCN(C(=O)CNC1CC1)[C@@H]1CCCOC1 ZINC000402677622 411307476 /nfs/dbraw/zinc/30/74/76/411307476.db2.gz GCTAYBXYAFKJMR-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN COC[C@H](CN1CCC[C@H](O)C1)OC ZINC000659828875 411311117 /nfs/dbraw/zinc/31/11/17/411311117.db2.gz JDQATVVTOGNNPY-UWVGGRQHSA-N 0 3 203.282 0.105 20 0 BCADHN CN1CCC[C@H](N[C@H]2C[C@H](O)C23CCC3)C1=O ZINC000661831423 411317151 /nfs/dbraw/zinc/31/71/51/411317151.db2.gz OGKJZBKOOHAGHN-DCAQKATOSA-N 0 3 238.331 0.500 20 0 BCADHN Cn1cc2c(n1)CCC[C@H]2NC[C@@H]1CCC(=O)N1 ZINC000658258199 411317806 /nfs/dbraw/zinc/31/78/06/411317806.db2.gz YQMGLQHRBKXZCB-GXSJLCMTSA-N 0 3 248.330 0.666 20 0 BCADHN CC[C@@H](NC[C@@H]1CCC(=O)N1)c1cnn(C)c1 ZINC000658260698 411317952 /nfs/dbraw/zinc/31/79/52/411317952.db2.gz YLJNUVKFNKMQRK-WDEREUQCSA-N 0 3 236.319 0.739 20 0 BCADHN CC(C)CNC(=O)CN[C@H]1C[C@@H](O)C12CCC2 ZINC000661840733 411318468 /nfs/dbraw/zinc/31/84/68/411318468.db2.gz RQAVKHDCRVJFKJ-WDEREUQCSA-N 0 3 240.347 0.652 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2ccc(N)nc2)CCN1C ZINC000124209502 411320390 /nfs/dbraw/zinc/32/03/90/411320390.db2.gz FTSPFUOFZJJBFV-ONGXEEELSA-N 0 3 248.330 0.876 20 0 BCADHN Cc1cncc(CCN2C[C@@H](O)C[C@H]2C)n1 ZINC000402918668 411320986 /nfs/dbraw/zinc/32/09/86/411320986.db2.gz PYROFOYTGAXHJD-PWSUYJOCSA-N 0 3 221.304 0.783 20 0 BCADHN C[C@@H](O)CCCN(C)CC(C)(CO)CO ZINC000336711799 411332565 /nfs/dbraw/zinc/33/25/65/411332565.db2.gz URKFLAHNRSZNIN-SNVBAGLBSA-N 0 3 219.325 0.070 20 0 BCADHN O=C1NCCCC[C@H]1N[C@@H]1COC2(CCC2)C1 ZINC000656683551 411326617 /nfs/dbraw/zinc/32/66/17/411326617.db2.gz IKRBPKICYJFPQO-WDEREUQCSA-N 0 3 238.331 0.956 20 0 BCADHN CCN(CC)C(=O)C[C@H](C)NC/C=C/CO ZINC000658132433 411256911 /nfs/dbraw/zinc/25/69/11/411256911.db2.gz LPTGPARTKFHBNR-MLRMMBSGSA-N 0 3 228.336 0.772 20 0 BCADHN CC(C)(N)c1cn(-c2cccc(CO)c2)nn1 ZINC000656440109 411257650 /nfs/dbraw/zinc/25/76/50/411257650.db2.gz ADSKVPQJSCVXLX-UHFFFAOYSA-N 0 3 232.287 0.953 20 0 BCADHN C[C@@H](NCC[C@@H]1CCNC1=O)c1cnn(C)c1 ZINC000395958683 411258463 /nfs/dbraw/zinc/25/84/63/411258463.db2.gz FBQKRXSUQQMSNP-NXEZZACHSA-N 0 3 236.319 0.597 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2NC/C=C/CO ZINC000658133460 411258556 /nfs/dbraw/zinc/25/85/56/411258556.db2.gz MDQFVIWKDNLJMD-VUDBWIFFSA-N 0 3 221.304 0.936 20 0 BCADHN CN[C@@H](C)c1cn(-c2ccncc2)nn1 ZINC000656440899 411258689 /nfs/dbraw/zinc/25/86/89/411258689.db2.gz PAZHYDHVANXXEC-QMMMGPOBSA-N 0 3 203.249 0.943 20 0 BCADHN C[C@@H]1CCCN(C(=O)CN2CCNCC2)[C@@H]1C ZINC000050565609 411259707 /nfs/dbraw/zinc/25/97/07/411259707.db2.gz HGYXTKQOOLIPLZ-VXGBXAGGSA-N 0 3 239.363 0.539 20 0 BCADHN Cc1cc([C@H]2CCCN2C(=O)[C@@H]2C[C@@H]2N)on1 ZINC000050463060 411260001 /nfs/dbraw/zinc/26/00/01/411260001.db2.gz QUGWVBPMQCYESE-KXUCPTDWSA-N 0 3 235.287 0.994 20 0 BCADHN COC[C@H](CN1CCCOCC1)OC ZINC000659861092 411352123 /nfs/dbraw/zinc/35/21/23/411352123.db2.gz OKYZJBGHYBFKJX-JTQLQIEISA-N 0 3 203.282 0.370 20 0 BCADHN Cn1cc(CN2CC[C@@H]3COC[C@H]3C2)cn1 ZINC000662040349 411352725 /nfs/dbraw/zinc/35/27/25/411352725.db2.gz XHWMUWIHCNCHMX-VXGBXAGGSA-N 0 3 221.304 0.888 20 0 BCADHN O=S(=O)(N[C@H]1CCCNC1)c1ccncc1 ZINC000658363607 411356099 /nfs/dbraw/zinc/35/60/99/411356099.db2.gz QSZBLTMZKKMHJD-VIFPVBQESA-N 0 3 241.316 0.112 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](C)N)[C@H](C)CO1 ZINC000403742960 411358322 /nfs/dbraw/zinc/35/83/22/411358322.db2.gz KCHNQUGPBCOFEO-HRDYMLBCSA-N 0 3 200.282 0.360 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC2(COC2)C1 ZINC000662076619 411358649 /nfs/dbraw/zinc/35/86/49/411358649.db2.gz PCAXJCKKUIEFFG-SECBINFHSA-N 0 3 224.304 0.376 20 0 BCADHN COC1CC(CCNC(=O)[C@@H](C)N)C1 ZINC000659330567 411361477 /nfs/dbraw/zinc/36/14/77/411361477.db2.gz XWITUKUKMJWDDZ-AFPNSQJFSA-N 0 3 200.282 0.265 20 0 BCADHN COC[C@@H](CN1CCN(C)C[C@@H]1C(C)C)OC ZINC000660630928 411362023 /nfs/dbraw/zinc/36/20/23/411362023.db2.gz SDUBIUQALQRXFY-CHWSQXEVSA-N 0 3 244.379 0.920 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCc1cccc(N)c1 ZINC000659332445 411362137 /nfs/dbraw/zinc/36/21/37/411362137.db2.gz BBPJAJMZIZMDPZ-NSHDSACASA-N 0 3 233.315 0.883 20 0 BCADHN CO[C@@H](CNC(=O)[C@@H](N)C(C)C)[C@H]1CCOC1 ZINC000658930467 411362259 /nfs/dbraw/zinc/36/22/59/411362259.db2.gz LRFSTUKAVFUUJM-DCAQKATOSA-N 0 3 244.335 0.137 20 0 BCADHN Cc1cncnc1NCCN(C)C1CC1 ZINC000641308213 411362906 /nfs/dbraw/zinc/36/29/06/411362906.db2.gz TUEKRLXYDOIXHF-UHFFFAOYSA-N 0 3 206.293 1.291 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000658954727 411363621 /nfs/dbraw/zinc/36/36/21/411363621.db2.gz WGVKSMRISKGFLN-NHCYSSNCSA-N 0 3 226.320 0.465 20 0 BCADHN CC(C)(N)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000658954711 411363969 /nfs/dbraw/zinc/36/39/69/411363969.db2.gz UQKYFCKOOABSFQ-GZMMTYOYSA-N 0 3 212.293 0.219 20 0 BCADHN C[C@H]1CN(CC(=O)N2CCCC2)C[C@@]1(C)CO ZINC000662135286 411364585 /nfs/dbraw/zinc/36/45/85/411364585.db2.gz LAMIANLZGRRXHH-AAEUAGOBSA-N 0 3 240.347 0.559 20 0 BCADHN Cc1cncnc1NC[C@@H]1CCCN(C)C1 ZINC000641364770 411364766 /nfs/dbraw/zinc/36/47/66/411364766.db2.gz KBFVSUXYCSRIHC-NSHDSACASA-N 0 3 220.320 1.539 20 0 BCADHN C[C@H]1CN(Cc2cn[nH]c2)C[C@@]1(C)CO ZINC000662141586 411365443 /nfs/dbraw/zinc/36/54/43/411365443.db2.gz IDBFHKOQGZPIKQ-ONGXEEELSA-N 0 3 209.293 0.860 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@H](C)CCO)N(C)C ZINC000652959488 411366577 /nfs/dbraw/zinc/36/65/77/411366577.db2.gz FKFNHNHRCOQQSO-ZJUUUORDSA-N 0 3 216.325 0.556 20 0 BCADHN O=C(NC/C=C\CO)Nc1ccc2c(c1)CNC2 ZINC000659022197 411366858 /nfs/dbraw/zinc/36/68/58/411366858.db2.gz KNOWHVQLLCPMQT-UPHRSURJSA-N 0 3 247.298 0.960 20 0 BCADHN Cc1noc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)n1 ZINC000659008148 411367707 /nfs/dbraw/zinc/36/77/07/411367707.db2.gz ZOTILCIRIIQFCO-RNFRBKRXSA-N 0 3 243.242 0.281 20 0 BCADHN CCn1ccc(NC(=O)N2CCCNCC2)n1 ZINC000659032427 411369105 /nfs/dbraw/zinc/36/91/05/411369105.db2.gz LDXZBYKJFZWFHR-UHFFFAOYSA-N 0 3 237.307 0.730 20 0 BCADHN CC[C@@H]1CN(C)CCN1Cc1cn(C)cn1 ZINC000660644329 411369154 /nfs/dbraw/zinc/36/91/54/411369154.db2.gz JWYACYDQSVMXPJ-GFCCVEGCSA-N 0 3 222.336 0.946 20 0 BCADHN O=C1NCC[C@H]1CCN1CCC[C@@H]2COC[C@@H]21 ZINC000653760228 411333881 /nfs/dbraw/zinc/33/38/81/411333881.db2.gz MCCFUUKIMVVSPU-TUAOUCFPSA-N 0 3 238.331 0.623 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CO)CCF)N(CC)CC ZINC000652915079 411334170 /nfs/dbraw/zinc/33/41/70/411334170.db2.gz DOLWTVROKSIENT-GHMZBOCLSA-N 0 3 248.342 0.944 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CO)CCF ZINC000652916564 411336526 /nfs/dbraw/zinc/33/65/26/411336526.db2.gz HMQNQCSIFSLXNH-VIFPVBQESA-N 0 3 220.288 0.165 20 0 BCADHN CC1(C)CCCN1C(=O)CN1CCNCC1 ZINC000063072051 411336732 /nfs/dbraw/zinc/33/67/32/411336732.db2.gz ZZAGFZKODYXERX-UHFFFAOYSA-N 0 3 225.336 0.293 20 0 BCADHN COC[C@@H](CCNC[C@H](O)C(F)(F)F)OC ZINC000656703705 411339700 /nfs/dbraw/zinc/33/97/00/411339700.db2.gz CWEYFWMZOVVSFR-SFYZADRCSA-N 0 3 245.241 0.551 20 0 BCADHN COCCC1CN(C[C@@H](O)COCC(C)C)C1 ZINC000656703432 411340192 /nfs/dbraw/zinc/34/01/92/411340192.db2.gz SELDMXRIUQDYJL-CYBMUJFWSA-N 0 3 245.363 0.988 20 0 BCADHN C[C@@H](O)CNCc1cnc(C(F)(F)F)nc1 ZINC000656705370 411340774 /nfs/dbraw/zinc/34/07/74/411340774.db2.gz PARJKGNPYZQSST-ZCFIWIBFSA-N 0 3 235.209 0.966 20 0 BCADHN C[C@H](O)CNCc1cnc(C(F)(F)F)nc1 ZINC000656705367 411340999 /nfs/dbraw/zinc/34/09/99/411340999.db2.gz PARJKGNPYZQSST-LURJTMIESA-N 0 3 235.209 0.966 20 0 BCADHN O=C(CN1CC[C@@H]2C[C@@H]2C1)N1CCCC1 ZINC000661975124 411341483 /nfs/dbraw/zinc/34/14/83/411341483.db2.gz XNCHTRCSWPFHJC-GHMZBOCLSA-N 0 3 208.305 0.951 20 0 BCADHN Cc1csc(CCNC(=O)[C@H](C)N)n1 ZINC000063134937 411342986 /nfs/dbraw/zinc/34/29/86/411342986.db2.gz WVUKFAKINFTRRI-ZETCQYMHSA-N 0 3 213.306 0.457 20 0 BCADHN Cc1nc(CN2CCO[C@H](CN(C)C)C2)co1 ZINC000659898847 411343176 /nfs/dbraw/zinc/34/31/76/411343176.db2.gz CXNFASMCAOVJIJ-GFCCVEGCSA-N 0 3 239.319 0.745 20 0 BCADHN CCOC1CCN(CCc2cn[nH]n2)CC1 ZINC000659854186 411344655 /nfs/dbraw/zinc/34/46/55/411344655.db2.gz YFUZOINYOLLEEM-UHFFFAOYSA-N 0 3 224.308 0.848 20 0 BCADHN CC1(CN2CCC[C@H]3C(=O)NC[C@@H]32)COC1 ZINC000337229323 168023414 /nfs/dbraw/zinc/02/34/14/168023414.db2.gz UXHZGXBPWGCEAJ-ZJUUUORDSA-N 0 3 224.304 0.233 20 0 BCADHN CC1(CNC(=O)C23CCCN2CCC3)COC1 ZINC000336466620 168027690 /nfs/dbraw/zinc/02/76/90/168027690.db2.gz GVFCUCAPPXQRHJ-UHFFFAOYSA-N 0 3 238.331 0.768 20 0 BCADHN CC1(CNC(=O)[C@@]2(F)CCNC2)CCC1 ZINC000372979234 168035403 /nfs/dbraw/zinc/03/54/03/168035403.db2.gz NFCJAIIJXLGAGM-LLVKDONJSA-N 0 3 214.284 0.994 20 0 BCADHN CC1=C(C(=O)NC[C@](C)(O)CN(C)C)CCC1 ZINC000337562668 168078793 /nfs/dbraw/zinc/07/87/93/168078793.db2.gz LUFZUSWQVIMPJU-ZDUSSCGKSA-N 0 3 240.347 0.916 20 0 BCADHN COCCNCC(=O)NC[C@]1(C)CC1(F)F ZINC000659362506 411377883 /nfs/dbraw/zinc/37/78/83/411377883.db2.gz QQEDXLMMERIZJJ-VIFPVBQESA-N 0 3 236.262 0.384 20 0 BCADHN CC1=CCCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000333543240 168095892 /nfs/dbraw/zinc/09/58/92/168095892.db2.gz OEZYPJJIQZMYOE-LLVKDONJSA-N 0 3 239.319 0.336 20 0 BCADHN CC1=CCCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000280646769 168096405 /nfs/dbraw/zinc/09/64/05/168096405.db2.gz JFHGENCWTPMYDU-VIFPVBQESA-N 0 3 231.317 0.598 20 0 BCADHN CC1=CCCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000373841180 168097057 /nfs/dbraw/zinc/09/70/57/168097057.db2.gz ABMCDAPSAMNBCH-ZDUSSCGKSA-N 0 3 249.358 0.555 20 0 BCADHN CC1=CCCN(CCCS(=O)(=O)N(C)C)C1 ZINC000336666630 168097689 /nfs/dbraw/zinc/09/76/89/168097689.db2.gz KQJHQCQWBJSKOG-UHFFFAOYSA-N 0 3 246.376 0.920 20 0 BCADHN CC1=CCCN(Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000281843048 168100433 /nfs/dbraw/zinc/10/04/33/168100433.db2.gz RCVPRPNABCPDFE-UHFFFAOYSA-N 0 3 249.314 0.236 20 0 BCADHN CC1=CCN(CCN2C(=O)CCC2=O)CC1 ZINC000270107916 168111062 /nfs/dbraw/zinc/11/10/62/168111062.db2.gz CQTQLDBKLXIYAN-UHFFFAOYSA-N 0 3 222.288 0.787 20 0 BCADHN CC(C)NCC(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000659260677 411381439 /nfs/dbraw/zinc/38/14/39/411381439.db2.gz DCUQPDMQPMWZIU-QWRGUYRKSA-N 0 3 244.335 0.295 20 0 BCADHN CC[C@H]1CN(CCc2c[nH]nn2)C[C@@H](C)O1 ZINC000659917625 411381761 /nfs/dbraw/zinc/38/17/61/411381761.db2.gz HPILCHWGEZDLKK-KOLCDFICSA-N 0 3 224.308 0.847 20 0 BCADHN CC1CCC(CNC(=O)COC2CNC2)CC1 ZINC000357364161 168155504 /nfs/dbraw/zinc/15/55/04/168155504.db2.gz PFSQIUNIMRTSTD-UHFFFAOYSA-N 0 3 240.347 0.917 20 0 BCADHN CCNCc1cn(CCn2ccnc2C)nn1 ZINC000052576116 411375796 /nfs/dbraw/zinc/37/57/96/411375796.db2.gz DQORYIRDZVSCPU-UHFFFAOYSA-N 0 3 234.307 0.593 20 0 BCADHN CC1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000364237467 168175991 /nfs/dbraw/zinc/17/59/91/168175991.db2.gz OCEMPOASCLLNHV-NSHDSACASA-N 0 3 214.284 0.947 20 0 BCADHN Cc1cnn(C)c1CNCC[C@@]1(O)CCOC1 ZINC000404141665 411376409 /nfs/dbraw/zinc/37/64/09/411376409.db2.gz IHJPNETVMOBRAC-GFCCVEGCSA-N 0 3 239.319 0.360 20 0 BCADHN CC1CCN(CC(=O)N2CC[C@H](CO)C2)CC1 ZINC000305713925 168177857 /nfs/dbraw/zinc/17/78/57/168177857.db2.gz SVOMGWCGNQAYSC-LBPRGKRZSA-N 0 3 240.347 0.559 20 0 BCADHN Cn1nncc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000130978750 411376726 /nfs/dbraw/zinc/37/67/26/411376726.db2.gz IGEWKDOCXMMNNC-BBBLOLIVSA-N 0 3 208.265 0.225 20 0 BCADHN CC(C)C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000304027676 168183340 /nfs/dbraw/zinc/18/33/40/168183340.db2.gz ZQVJJHJHNPROSY-GFCCVEGCSA-N 0 3 242.363 0.851 20 0 BCADHN O=C1C[C@@H](CNCc2cc3n(n2)CCCC3)CN1 ZINC000655780551 411388228 /nfs/dbraw/zinc/38/82/28/411388228.db2.gz UJDSORSVNGWNPS-JTQLQIEISA-N 0 3 248.330 0.445 20 0 BCADHN C[C@@H](CNC(=O)CO)N1CCC(C)CC1 ZINC000339396767 168186693 /nfs/dbraw/zinc/18/66/93/168186693.db2.gz XEKUNQWDYFHSER-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN CCC(=O)N1CCCN(C[C@@H](O)CC)CC1 ZINC000304022311 168217271 /nfs/dbraw/zinc/21/72/71/168217271.db2.gz YJHHGTZYDFXIID-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN CCC(=O)N1CC[C@H](NCc2[nH]ncc2C)C1 ZINC000289561835 168224086 /nfs/dbraw/zinc/22/40/86/168224086.db2.gz RAYVDDUCKAZHTN-JTQLQIEISA-N 0 3 236.319 0.819 20 0 BCADHN CC(C)NCC(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000659250421 411382298 /nfs/dbraw/zinc/38/22/98/411382298.db2.gz WOWNMXAPIOUDQC-WDEREUQCSA-N 0 3 228.336 0.916 20 0 BCADHN CC(C)NCC(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000659260676 411383092 /nfs/dbraw/zinc/38/30/92/411383092.db2.gz DCUQPDMQPMWZIU-MNOVXSKESA-N 0 3 244.335 0.295 20 0 BCADHN CCN1OC[C@H](N(C)CCN2CCCC2)C1=O ZINC000659923671 411383362 /nfs/dbraw/zinc/38/33/62/411383362.db2.gz VJNDXBNYZVZLLX-NSHDSACASA-N 0 3 241.335 0.176 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000659362646 411384330 /nfs/dbraw/zinc/38/43/30/411384330.db2.gz SVIFFWYWVNFCAN-DJLDLDEBSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000659362650 411384390 /nfs/dbraw/zinc/38/43/90/411384390.db2.gz SVIFFWYWVNFCAN-VGMNWLOBSA-N 0 3 200.282 0.407 20 0 BCADHN OCc1ccc(CNCC[C@]2(O)CCOC2)o1 ZINC000404217800 411384640 /nfs/dbraw/zinc/38/46/40/411384640.db2.gz IQZLEVOFEWHLFO-LBPRGKRZSA-N 0 3 241.287 0.403 20 0 BCADHN CCC(C)(C)N(C)CC(=O)N1CCOCC1 ZINC000358427962 168287143 /nfs/dbraw/zinc/28/71/43/168287143.db2.gz OAUPTMSZWIOWMO-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN COC[C@H](C)NC(=O)NC(C)(C)CN(C)C ZINC000654865870 411458341 /nfs/dbraw/zinc/45/83/41/411458341.db2.gz WZJIAUWSLPVIGJ-VIFPVBQESA-N 0 3 231.340 0.661 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)CN1CC[C@H](C)C1 ZINC000654886010 411460212 /nfs/dbraw/zinc/46/02/12/411460212.db2.gz ZZFNRUYYXWULJQ-NWDGAFQWSA-N 0 3 242.363 0.851 20 0 BCADHN CO[C@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000659314296 411393110 /nfs/dbraw/zinc/39/31/10/411393110.db2.gz SBBZSUPUBZBXJY-RCWTZXSCSA-N 0 3 244.310 0.618 20 0 BCADHN C[C@H](N)C(=O)NCCc1noc2ccccc21 ZINC000659331151 411395416 /nfs/dbraw/zinc/39/54/16/411395416.db2.gz FAUKNWJGUJSXDS-QMMMGPOBSA-N 0 3 233.271 0.834 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N[C@H]1CCOC1 ZINC000638284125 411461014 /nfs/dbraw/zinc/46/10/14/411461014.db2.gz CVNWPLPAYRZFJK-UWVGGRQHSA-N 0 3 214.309 0.655 20 0 BCADHN COCC1(N(C)C(=O)COC2(C)CNC2)CC1 ZINC000659336189 411397831 /nfs/dbraw/zinc/39/78/31/411397831.db2.gz FVTJXFXUAYTQAT-UHFFFAOYSA-N 0 3 242.319 0.002 20 0 BCADHN Cc1cnn(C)c1NC(=O)CNC(C)C ZINC000659337848 411397888 /nfs/dbraw/zinc/39/78/88/411397888.db2.gz WOTLQUDWVYEJRB-UHFFFAOYSA-N 0 3 210.281 0.665 20 0 BCADHN CNCC(=O)NCc1cc(COC)cs1 ZINC000659357919 411402083 /nfs/dbraw/zinc/40/20/83/411402083.db2.gz CQNVRUIFOKRAJU-UHFFFAOYSA-N 0 3 228.317 0.730 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N[C@H]1CCOC1 ZINC000638284126 411461472 /nfs/dbraw/zinc/46/14/72/411461472.db2.gz CVNWPLPAYRZFJK-VHSXEESVSA-N 0 3 214.309 0.655 20 0 BCADHN CC1(OCC(=O)NCCc2ccoc2)CNC1 ZINC000659360490 411403248 /nfs/dbraw/zinc/40/32/48/411403248.db2.gz IJVHHDITGLCDLW-UHFFFAOYSA-N 0 3 238.287 0.317 20 0 BCADHN C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H](C)N(C)C ZINC000654479815 411403608 /nfs/dbraw/zinc/40/36/08/411403608.db2.gz HRAZZVQDHQCAEC-NXEZZACHSA-N 0 3 238.335 0.655 20 0 BCADHN Nc1ccc2c(c1)CC[C@H]2NC(=O)C1(N)CC1 ZINC000659362960 411403950 /nfs/dbraw/zinc/40/39/50/411403950.db2.gz HYWWYZZFKDCZDR-LLVKDONJSA-N 0 3 231.299 0.864 20 0 BCADHN CO[C@@H](CNC(=O)C1(N)CC1)C1CCCC1 ZINC000659384844 411404538 /nfs/dbraw/zinc/40/45/38/411404538.db2.gz ZMPPFWKDHWOZIT-JTQLQIEISA-N 0 3 226.320 0.799 20 0 BCADHN C[C@@H](CC(=O)N1CCN[C@H](C)C1)n1ccnc1 ZINC000653050782 411404959 /nfs/dbraw/zinc/40/49/59/411404959.db2.gz VIOOVAZRJBNAQR-MNOVXSKESA-N 0 3 236.319 0.655 20 0 BCADHN C[C@]12COC[C@H]1CN(C(=O)CNC1CC1)C2 ZINC000659371287 411405129 /nfs/dbraw/zinc/40/51/29/411405129.db2.gz WDWAYTXJVJHGOA-SKDRFNHKSA-N 0 3 224.304 0.233 20 0 BCADHN CN(C)CCn1ccc(C(=O)Nc2cn[nH]c2)n1 ZINC000654494066 411405384 /nfs/dbraw/zinc/40/53/84/411405384.db2.gz AIPYSHWTHNDPSA-UHFFFAOYSA-N 0 3 248.290 0.420 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659371594 411405575 /nfs/dbraw/zinc/40/55/75/411405575.db2.gz XFSFKEYVSHSFPC-SKDRFNHKSA-N 0 3 249.314 0.633 20 0 BCADHN C[C@@H]1CCN(C(=O)CNC2CC2)C[C@H](C)O1 ZINC000659374127 411405786 /nfs/dbraw/zinc/40/57/86/411405786.db2.gz HAMUSNBECKOCGN-ZJUUUORDSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H]1CCO)N(C)C ZINC000413703477 411408076 /nfs/dbraw/zinc/40/80/76/411408076.db2.gz QFIKJNAZNWGUFA-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN NC1(C(=O)NCCCc2ccco2)CC1 ZINC000659385723 411408880 /nfs/dbraw/zinc/40/88/80/411408880.db2.gz YZCUXGYYVXWYAU-UHFFFAOYSA-N 0 3 208.261 0.820 20 0 BCADHN COC[C@H](C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC000654535734 411409053 /nfs/dbraw/zinc/40/90/53/411409053.db2.gz XMESIMUONYKLHF-MNOVXSKESA-N 0 3 228.336 0.822 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000659385323 411409405 /nfs/dbraw/zinc/40/94/05/411409405.db2.gz UURIEMQDNNQMNX-PHDIDXHHSA-N 0 3 206.236 0.741 20 0 BCADHN COC[C@H](C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC000654535735 411409443 /nfs/dbraw/zinc/40/94/43/411409443.db2.gz XMESIMUONYKLHF-QWRGUYRKSA-N 0 3 228.336 0.822 20 0 BCADHN CC1(C)C[C@@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659387197 411409747 /nfs/dbraw/zinc/40/97/47/411409747.db2.gz OWFHGZDJAYQFJS-IWSPIJDZSA-N 0 3 214.284 0.930 20 0 BCADHN CCn1nccc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659387457 411409796 /nfs/dbraw/zinc/40/97/96/411409796.db2.gz VQYUJVNWAHRREZ-RKDXNWHRSA-N 0 3 240.282 0.414 20 0 BCADHN N[C@@H]1CN(C(=O)[C@@H]2CCCCO2)CC[C@H]1F ZINC000659388461 411409997 /nfs/dbraw/zinc/40/99/97/411409997.db2.gz HZFALDBCFYWZEK-BBBLOLIVSA-N 0 3 230.283 0.453 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)n1cccn1 ZINC000659388946 411410141 /nfs/dbraw/zinc/41/01/41/411410141.db2.gz OAFVNVIKOCXJGP-OPRDCNLKSA-N 0 3 240.282 0.342 20 0 BCADHN CN(Cc1ccco1)C[C@H]1CNC(=O)C1 ZINC000659815904 411461899 /nfs/dbraw/zinc/46/18/99/411461899.db2.gz MAMURVHOAZBZMZ-SECBINFHSA-N 0 3 208.261 0.848 20 0 BCADHN CCO[C@@H](CC)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388610 411410471 /nfs/dbraw/zinc/41/04/71/411410471.db2.gz CAWYHIHPKOUTKR-BBBLOLIVSA-N 0 3 232.299 0.699 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)CCO1 ZINC000659389752 411410579 /nfs/dbraw/zinc/41/05/79/411410579.db2.gz XWJLNKKEPQNGLJ-GWOFURMSSA-N 0 3 244.310 0.699 20 0 BCADHN CC[C@@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659391087 411411314 /nfs/dbraw/zinc/41/13/14/411411314.db2.gz PCENERWYTVSAES-IWSPIJDZSA-N 0 3 202.273 0.930 20 0 BCADHN C[C@@H](CCO)NC(=O)CN1CC[C@@H](C)C1 ZINC000654910890 411462116 /nfs/dbraw/zinc/46/21/16/411462116.db2.gz DPJHLXBBSAZACU-ZJUUUORDSA-N 0 3 214.309 0.215 20 0 BCADHN CO[C@@H](C)CCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659447660 411416421 /nfs/dbraw/zinc/41/64/21/411416421.db2.gz GQPFRJZSHXOIQA-IVZWLZJFSA-N 0 3 247.314 0.492 20 0 BCADHN N[C@@H]1CN(C(=O)NCCC2CC2)CC[C@H]1F ZINC000659461981 411417328 /nfs/dbraw/zinc/41/73/28/411417328.db2.gz QJNYRXONARMTBP-NXEZZACHSA-N 0 3 229.299 0.867 20 0 BCADHN O[C@@H]1C[C@H]2CN(CC3(O)CCCC3)CCN2C1 ZINC000405197497 411419579 /nfs/dbraw/zinc/41/95/79/411419579.db2.gz BBBXSAHRCNHXLE-NWDGAFQWSA-N 0 3 240.347 0.042 20 0 BCADHN Cc1ncccc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405308927 411424268 /nfs/dbraw/zinc/42/42/68/411424268.db2.gz NVFYJRWWNJSXQS-UONOGXRCSA-N 0 3 247.342 0.641 20 0 BCADHN CCC[C@H](O)CC(=O)NC(C)(C)CN(C)C ZINC000654659065 411424387 /nfs/dbraw/zinc/42/43/87/411424387.db2.gz OFPFGTPGUHKPJH-JTQLQIEISA-N 0 3 230.352 0.994 20 0 BCADHN CCC[C@@H](O)CC(=O)NC(C)(C)CN(C)C ZINC000654659066 411424397 /nfs/dbraw/zinc/42/43/97/411424397.db2.gz OFPFGTPGUHKPJH-SNVBAGLBSA-N 0 3 230.352 0.994 20 0 BCADHN O[C@@H]1C[C@H]2CN(CC[C@@H]3CCOC3)CCN2C1 ZINC000405336048 411425564 /nfs/dbraw/zinc/42/55/64/411425564.db2.gz ZJOPWGFGSWQAJX-FRRDWIJNSA-N 0 3 240.347 0.164 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)c1ccn(C)c1 ZINC000269962722 411426144 /nfs/dbraw/zinc/42/61/44/411426144.db2.gz YFTXBMYHEPEHSC-LBPRGKRZSA-N 0 3 239.319 0.068 20 0 BCADHN CNC(=O)CCCN1CCc2cn[nH]c2C1 ZINC000653588299 411428666 /nfs/dbraw/zinc/42/86/66/411428666.db2.gz NWUVWMBCALCMFA-UHFFFAOYSA-N 0 3 222.292 0.294 20 0 BCADHN COCCNCCNC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000659526583 411429473 /nfs/dbraw/zinc/42/94/73/411429473.db2.gz DBJLTPUHCREJHU-QWRGUYRKSA-N 0 3 241.335 0.274 20 0 BCADHN COCC1(CNC(=O)NCCN(C)C)CC1 ZINC000654691708 411430390 /nfs/dbraw/zinc/43/03/90/411430390.db2.gz UUIKDUVAIBFNKH-UHFFFAOYSA-N 0 3 229.324 0.274 20 0 BCADHN CN1CCN(C(=O)C[C@H]2C=CCC2)[C@H](CN)C1 ZINC000122573954 411433057 /nfs/dbraw/zinc/43/30/57/411433057.db2.gz IVNZLBRMUIKNDD-NWDGAFQWSA-N 0 3 237.347 0.444 20 0 BCADHN C[C@H]1CCN(CC(=O)N[C@H]2CCCN(C)C2)C1 ZINC000654737319 411437104 /nfs/dbraw/zinc/43/71/04/411437104.db2.gz OAFPWVSDTGUINI-RYUDHWBXSA-N 0 3 239.363 0.539 20 0 BCADHN CO[C@@H](C)CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000659568278 411437490 /nfs/dbraw/zinc/43/74/90/411437490.db2.gz GIYCDSHUHHBYBS-GUBZILKMSA-N 0 3 229.324 0.413 20 0 BCADHN CO[C@H](C)CNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000659569285 411437945 /nfs/dbraw/zinc/43/79/45/411437945.db2.gz GJOKOBITYGALJX-IVZWLZJFSA-N 0 3 229.324 0.413 20 0 BCADHN Cc1ccoc1CN1C[C@@H](O)C[C@H]1CO ZINC000274907450 411439275 /nfs/dbraw/zinc/43/92/75/411439275.db2.gz IXIXYZUIEGFNNA-UWVGGRQHSA-N 0 3 211.261 0.516 20 0 BCADHN CNC(=O)CCCNCc1cnc2n1CCC2 ZINC000657333562 411463457 /nfs/dbraw/zinc/46/34/57/411463457.db2.gz OKWZXCDQALXJLK-UHFFFAOYSA-N 0 3 236.319 0.445 20 0 BCADHN NC(=O)CN1CCN(CC2CC=CC2)CC1 ZINC000659824689 411463619 /nfs/dbraw/zinc/46/36/19/411463619.db2.gz WELZNCYRDCOJKH-UHFFFAOYSA-N 0 3 223.320 0.056 20 0 BCADHN O=C(NCC1(CO)CC1)c1ccc2c(c1)CNC2 ZINC000131206528 411443659 /nfs/dbraw/zinc/44/36/59/411443659.db2.gz GKICCVPVJOBOSA-UHFFFAOYSA-N 0 3 246.310 0.792 20 0 BCADHN COC[C@H](CN1CC[C@H](O)C(C)(C)C1)OC ZINC000660374239 411443890 /nfs/dbraw/zinc/44/38/90/411443890.db2.gz UZPOGLWOXJOWAH-QWRGUYRKSA-N 0 3 231.336 0.741 20 0 BCADHN CCN[C@H](C)C(=O)Nc1cnn(CCOC)c1 ZINC000637929999 411446916 /nfs/dbraw/zinc/44/69/16/411446916.db2.gz SDONLEMTBHUGRM-SECBINFHSA-N 0 3 240.307 0.466 20 0 BCADHN c1cn2c(n1)[C@@H](NCCCn1cncn1)CCC2 ZINC000655742590 411447392 /nfs/dbraw/zinc/44/73/92/411447392.db2.gz ABGXSXIHNBMVSZ-NSHDSACASA-N 0 3 246.318 0.989 20 0 BCADHN C[C@H](O)CCNC(=O)CN1CC[C@H](C)C1 ZINC000654809915 411448001 /nfs/dbraw/zinc/44/80/01/411448001.db2.gz UUAAKTLSYYAXDI-UWVGGRQHSA-N 0 3 214.309 0.215 20 0 BCADHN CC[C@H]1C[C@@H](NCC(=O)NC(C)C)CO1 ZINC000657294148 411449957 /nfs/dbraw/zinc/44/99/57/411449957.db2.gz GRJWAKWGKAWUIU-ZJUUUORDSA-N 0 3 214.309 0.668 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@H]1CCSC1 ZINC000306535705 411452189 /nfs/dbraw/zinc/45/21/89/411452189.db2.gz MBMPXLHLOGGYAD-JGVFFNPUSA-N 0 3 214.334 0.606 20 0 BCADHN COCCOCCNCc1cnn2c1CCC2 ZINC000657329267 411467296 /nfs/dbraw/zinc/46/72/96/411467296.db2.gz NGAJBMXYLQSFDQ-UHFFFAOYSA-N 0 3 239.319 0.582 20 0 BCADHN C[C@H]1CCN(CC(=O)NCCc2ccon2)C1 ZINC000654952831 411467307 /nfs/dbraw/zinc/46/73/07/411467307.db2.gz ZFJBIZJZUYUVBI-JTQLQIEISA-N 0 3 237.303 0.675 20 0 BCADHN CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000654952451 411467959 /nfs/dbraw/zinc/46/79/59/411467959.db2.gz LTTLKOWKMWCZBB-KKOKHZNYSA-N 0 3 238.331 0.764 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCS[C@H]1C ZINC000307221484 411468575 /nfs/dbraw/zinc/46/85/75/411468575.db2.gz IWECANGGWAIKBL-BIIVOSGPSA-N 0 3 202.323 0.734 20 0 BCADHN C[C@H]1CCN(CC(=O)N(CCCO)C2CC2)C1 ZINC000654972123 411468873 /nfs/dbraw/zinc/46/88/73/411468873.db2.gz COHYSBYXYWUXLL-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2C[C@H](O)[C@@H](C)C2)C1 ZINC000654977543 411469995 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FLOXNFCANGUYMF-QMMMGPOBSA-N 0 3 224.283 0.764 20 0 BCADHN CC[C@@H]1C[C@H](NCC(=O)N2CCOCC2)CO1 ZINC000657428941 411507165 /nfs/dbraw/zinc/50/71/65/411507165.db2.gz OHMXTXRQBNBKKF-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN CC[C@H]1C[C@H](NCC(=O)NCC2CC2)CO1 ZINC000657431259 411507877 /nfs/dbraw/zinc/50/78/77/411507877.db2.gz USCZJGMUGGEFFC-QWRGUYRKSA-N 0 3 226.320 0.670 20 0 BCADHN COC[C@H]1CN([C@@H]2CCCC[C@H]2O)CCO1 ZINC000659953091 411509777 /nfs/dbraw/zinc/50/97/77/411509777.db2.gz SAEIHUWOUJOBJV-IJLUTSLNSA-N 0 3 229.320 0.637 20 0 BCADHN CCN1CC[C@@H](N2CCC[C@@](C)(O)CC2)C1=O ZINC000660442523 411511450 /nfs/dbraw/zinc/51/14/50/411511450.db2.gz BFULTRZHTFCORQ-DGCLKSJQSA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@H]1C[C@H](NCC(=O)NCC(F)F)CO1 ZINC000657455955 411515942 /nfs/dbraw/zinc/51/59/42/411515942.db2.gz VMRJLURCDVYIQD-YUMQZZPRSA-N 0 3 236.262 0.525 20 0 BCADHN CO[C@](C)(CO)CN[C@@H](C)c1ccnn1C ZINC000655795721 411516179 /nfs/dbraw/zinc/51/61/79/411516179.db2.gz FIOLAYOHGOHSRK-ONGXEEELSA-N 0 3 227.308 0.468 20 0 BCADHN NC(=O)[C@H]1C[C@@H](N[C@@H]2CCCn3ccnc32)C1 ZINC000655793645 411516225 /nfs/dbraw/zinc/51/62/25/411516225.db2.gz YXXFMKGHJRYBLC-KXUCPTDWSA-N 0 3 234.303 0.572 20 0 BCADHN N[C@H](CC(=O)N[C@@H]1CCOC1)c1ccccc1 ZINC000131394068 411518102 /nfs/dbraw/zinc/51/81/02/411518102.db2.gz YMZOOPXTYDCJQR-VXGBXAGGSA-N 0 3 234.299 0.982 20 0 BCADHN CO[C@](C)(CO)CNCc1cccc2nccn21 ZINC000655808174 411521094 /nfs/dbraw/zinc/52/10/94/411521094.db2.gz SVRDZTCJUNRWJP-ZDUSSCGKSA-N 0 3 249.314 0.821 20 0 BCADHN C[C@H]1NC(=O)CC[C@@H]1NCc1cnn2c1CCC2 ZINC000657458127 411522238 /nfs/dbraw/zinc/52/22/38/411522238.db2.gz IXULXBDNCUSHQV-KOLCDFICSA-N 0 3 248.330 0.586 20 0 BCADHN c1n[nH]cc1CCNCc1cnn2c1CCC2 ZINC000657471333 411523245 /nfs/dbraw/zinc/52/32/45/411523245.db2.gz SECYSXZQLUHCHF-UHFFFAOYSA-N 0 3 231.303 0.885 20 0 BCADHN CC[C@H](NCc1cn[nH]c1)[C@@H](O)C(F)F ZINC000657477829 411526648 /nfs/dbraw/zinc/52/66/48/411526648.db2.gz BCCURHNXAWWANL-JGVFFNPUSA-N 0 3 219.235 0.904 20 0 BCADHN OC[C@@H](NCc1cn[nH]c1)[C@H]1CCCOC1 ZINC000657495313 411535193 /nfs/dbraw/zinc/53/51/93/411535193.db2.gz KGHRVTZRSSRZHV-WDEREUQCSA-N 0 3 225.292 0.287 20 0 BCADHN CO[C@H]1COCC[C@H]1CNCc1nc(C)c[nH]1 ZINC000657480538 411527784 /nfs/dbraw/zinc/52/77/84/411527784.db2.gz YCHOLDXPCLXGIY-QWRGUYRKSA-N 0 3 239.319 0.859 20 0 BCADHN Cc1c[nH]c(CNC[C@@H]2CCC[C@H]2O)n1 ZINC000657484612 411528679 /nfs/dbraw/zinc/52/86/79/411528679.db2.gz OZNPWJBJZRDWCR-VHSXEESVSA-N 0 3 209.293 0.969 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@H]1CO[C@H](CC)C1 ZINC000657484124 411528691 /nfs/dbraw/zinc/52/86/91/411528691.db2.gz CWIFANPYKZGCPO-DDHJBXDOSA-N 0 3 229.320 0.947 20 0 BCADHN CCCN1CC[C@H](NC(=O)N(C)CCOC)C1 ZINC000660028200 411529266 /nfs/dbraw/zinc/52/92/66/411529266.db2.gz SJUORCRVDYZVJF-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN CC[C@H](N[C@H]1CO[C@H](CC)C1)C(=O)NC ZINC000657487664 411530936 /nfs/dbraw/zinc/53/09/36/411530936.db2.gz XHKFTIJYUYMFBC-BBBLOLIVSA-N 0 3 214.309 0.668 20 0 BCADHN C[C@@]1(CNCc2cnn3c2CCC3)CCC(=O)N1 ZINC000657487033 411531079 /nfs/dbraw/zinc/53/10/79/411531079.db2.gz GJXDZZBYSXEELH-ZDUSSCGKSA-N 0 3 248.330 0.588 20 0 BCADHN C[C@@H](CO)CNCc1cnn2c1CCC2 ZINC000657328220 411465737 /nfs/dbraw/zinc/46/57/37/411465737.db2.gz SEKOEGIGXOSXEM-SECBINFHSA-N 0 3 209.293 0.547 20 0 BCADHN CC(C)Cc1cc(NC(=O)C2(N)CC2)n[nH]1 ZINC000638442939 411465993 /nfs/dbraw/zinc/46/59/93/411465993.db2.gz CHAILQQBCQEJMD-UHFFFAOYSA-N 0 3 222.292 1.038 20 0 BCADHN CCN1CCSC[C@H]1CC(=O)OC ZINC000123319551 170006890 /nfs/dbraw/zinc/00/68/90/170006890.db2.gz MPHORQNASFQTST-MRVPVSSYSA-N 0 3 203.307 0.987 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC000335150640 170011835 /nfs/dbraw/zinc/01/18/35/170011835.db2.gz POFVWWAGIFCDPB-SNVBAGLBSA-N 0 3 236.319 0.851 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2cnnc(C)c2)C1 ZINC000333984035 170012952 /nfs/dbraw/zinc/01/29/52/170012952.db2.gz FEUDDVBNOIXEEX-LLVKDONJSA-N 0 3 234.303 0.609 20 0 BCADHN COC[C@H](CN1CCCOC[C@H]1C)OC ZINC000660110869 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ZINC000357454473 170195634 /nfs/dbraw/zinc/19/56/34/170195634.db2.gz HAPQHHNOJYDFJH-QMMMGPOBSA-N 0 3 216.281 0.006 20 0 BCADHN CCOC(=O)CCCCN(C)[C@H]1CCNC1=O ZINC000340217767 170200121 /nfs/dbraw/zinc/20/01/21/170200121.db2.gz CWXZSEZHRJCLDU-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN CN(CCN(C)C1CC1)Cc1cn(C)cn1 ZINC000660303611 411566075 /nfs/dbraw/zinc/56/60/75/411566075.db2.gz SZZGIOQWPZCCBI-UHFFFAOYSA-N 0 3 222.336 0.946 20 0 BCADHN CCOC(=O)CCN(CCO)C1CC1 ZINC000042294919 170205159 /nfs/dbraw/zinc/20/51/59/170205159.db2.gz GHADKVBYEQVBSB-UHFFFAOYSA-N 0 3 201.266 0.396 20 0 BCADHN CCN1OC[C@@H](N(C)CCN(C)C2CC2)C1=O ZINC000660303277 411566138 /nfs/dbraw/zinc/56/61/38/411566138.db2.gz PPZADQSKXIYEEW-LLVKDONJSA-N 0 3 241.335 0.175 20 0 BCADHN CCOC(=O)CCN1C[C@H](O)C2(CC2)C1 ZINC000364418292 170207567 /nfs/dbraw/zinc/20/75/67/170207567.db2.gz SKHXHOMZMVYHFN-VIFPVBQESA-N 0 3 213.277 0.396 20 0 BCADHN CCOC(=O)CCNC(=O)[C@H]1CCCCN1 ZINC000041679934 170207983 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CCOC1CC(O)(CNCc2c[nH]nc2C)C1 ZINC000277726804 170330004 /nfs/dbraw/zinc/33/00/04/170330004.db2.gz ODPXITGGBRGEHH-UHFFFAOYSA-N 0 3 239.319 0.738 20 0 BCADHN CCOC1CCN(C(=O)[C@@H](C)N)CC1 ZINC000040689997 170332887 /nfs/dbraw/zinc/33/28/87/170332887.db2.gz AVYUBQZEFTVEBZ-MRVPVSSYSA-N 0 3 200.282 0.361 20 0 BCADHN CCOCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000336666707 170338918 /nfs/dbraw/zinc/33/89/18/170338918.db2.gz QCAPSJABIMWAAV-LLVKDONJSA-N 0 3 226.320 0.576 20 0 BCADHN CCN1CC[C@H](N2CC[C@@H](C)[C@H](OC)C2)C1=O ZINC000660377234 411575709 /nfs/dbraw/zinc/57/57/09/411575709.db2.gz WZKZTOPNDPULKY-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CCOCCC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000374917124 170359377 /nfs/dbraw/zinc/35/93/77/170359377.db2.gz XYHDIPFWODGKFV-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000657639025 411568441 /nfs/dbraw/zinc/56/84/41/411568441.db2.gz OQSHPPMXUVXPLG-MMWGEVLESA-N 0 3 247.360 0.719 20 0 BCADHN CCOCCCCNC(=O)[C@H](N)C(C)C ZINC000336742821 170368548 /nfs/dbraw/zinc/36/85/48/170368548.db2.gz OOHYXTALQMIACA-SNVBAGLBSA-N 0 3 216.325 0.903 20 0 BCADHN CCOCCCN(C)[C@H]1CCNC1=O ZINC000340218857 170371070 /nfs/dbraw/zinc/37/10/70/170371070.db2.gz JLKOEHOSVSLDDN-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CCOCCN(C)CCc1cnn(C)c1 ZINC000271339110 170389537 /nfs/dbraw/zinc/38/95/37/170389537.db2.gz BUJMZMLHZUZQQF-UHFFFAOYSA-N 0 3 211.309 0.931 20 0 BCADHN CCOCCN(CC)C(=O)C[C@@H]1CNCCO1 ZINC000091312276 170392270 /nfs/dbraw/zinc/39/22/70/170392270.db2.gz ZQNMGOFZWSPING-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN CCOCCN(CC)C(=O)[C@]1(F)CCNC1 ZINC000372118890 170393790 /nfs/dbraw/zinc/39/37/90/170393790.db2.gz RCTOYQBQQYNPCS-NSHDSACASA-N 0 3 232.299 0.573 20 0 BCADHN CCOCCN(CC)C(=O)[C@@]1(F)CCNC1 ZINC000372118889 170393928 /nfs/dbraw/zinc/39/39/28/170393928.db2.gz RCTOYQBQQYNPCS-LLVKDONJSA-N 0 3 232.299 0.573 20 0 BCADHN CCOCCN(CC)[C@H]1COC[C@@H]1O ZINC000308553612 170396108 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411585613 /nfs/dbraw/zinc/58/56/13/411585613.db2.gz XVQXZGRPOAHGQZ-UHFFFAOYSA-N 0 3 217.276 0.840 20 0 BCADHN O=C1CC[C@@H](CNCc2ccc3[nH]cnc3c2)N1 ZINC000657711309 411585779 /nfs/dbraw/zinc/58/57/79/411585779.db2.gz FBAVMSZBIJJALP-JTQLQIEISA-N 0 3 244.298 0.931 20 0 BCADHN Cn1ncc(C2CC2)c1CNC[C@@H]1CCC(=O)N1 ZINC000657709631 411585883 /nfs/dbraw/zinc/58/58/83/411585883.db2.gz DZCXGXAMWAAIKK-JTQLQIEISA-N 0 3 248.330 0.666 20 0 BCADHN CCn1nncc1CNC[C@@H](CO)CC1CC1 ZINC000657712812 411586706 /nfs/dbraw/zinc/58/67/06/411586706.db2.gz ACHCIVFCCRRPRP-NSHDSACASA-N 0 3 238.335 0.796 20 0 BCADHN COC[C@H](CN(CCO)[C@@H]1CCO[C@H]1C)OC ZINC000660459328 411588353 /nfs/dbraw/zinc/58/83/53/411588353.db2.gz RYQJKGHWLVQYOB-SDDRHHMPSA-N 0 3 247.335 0.120 20 0 BCADHN CN(CCCO)CCc1nnn(C(C)(C)C)n1 ZINC000660475397 411590771 /nfs/dbraw/zinc/59/07/71/411590771.db2.gz CEOHNBRNNOGNGJ-UHFFFAOYSA-N 0 3 241.339 0.285 20 0 BCADHN CCS(=O)(=O)C1(CN[C@@H]2CO[C@@H](C)C2)CC1 ZINC000657758934 411590959 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ZINC000661486602 411784687 /nfs/dbraw/zinc/78/46/87/411784687.db2.gz BRBNPQHKAWBWKC-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CCOc1nccnc1NCC1=CCN(C)CC1 ZINC000546180873 411720984 /nfs/dbraw/zinc/72/09/84/411720984.db2.gz KHVJKJPPBNSFNG-UHFFFAOYSA-N 0 3 248.330 1.549 20 0 BCADHN O=C(CN[C@@H](CO)C1CCC1)N1CCCC1 ZINC000661152158 411720983 /nfs/dbraw/zinc/72/09/83/411720983.db2.gz WAXOYYFOQNXTHB-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN CN(C(=O)CN[C@H](CO)C1CCC1)C1CC1 ZINC000661151686 411721098 /nfs/dbraw/zinc/72/10/98/411721098.db2.gz LCLCLMIAQHJPIX-LLVKDONJSA-N 0 3 226.320 0.358 20 0 BCADHN CC[C@@H](C)NC(=O)CN[C@@H](CO)C1CCC1 ZINC000661154928 411721821 /nfs/dbraw/zinc/72/18/21/411721821.db2.gz CDIBRTZTEKLNPJ-KOLCDFICSA-N 0 3 228.336 0.652 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)c1nnc(C)[nH]1)N(C)C ZINC000286222942 170666129 /nfs/dbraw/zinc/66/61/29/170666129.db2.gz CGFBXHWPDXFKTI-APPZFPTMSA-N 0 3 239.323 0.631 20 0 BCADHN CN(C)CCSc1ncnc2c1nnn2C ZINC000663705736 411727302 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CCCN1CC[C@H](NC(=O)N[C@@H](C)CCO)C1 ZINC000664185801 411885041 /nfs/dbraw/zinc/88/50/41/411885041.db2.gz UDUYUBQDBWXOCQ-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN CC[C@H](O)CN1CCC[C@H](c2nnc(N)o2)C1 ZINC000639823235 411885637 /nfs/dbraw/zinc/88/56/37/411885637.db2.gz XIUUBLIOCKFJBZ-IUCAKERBSA-N 0 3 240.307 0.602 20 0 BCADHN CC(C)OCCN1CCC(=O)N(C)CC1 ZINC000661807270 411886403 /nfs/dbraw/zinc/88/64/03/411886403.db2.gz UGQNGNAWEMLNCE-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN CN1CCN(CC[C@@H]2CCOC2)CCC1=O ZINC000661805069 411886806 /nfs/dbraw/zinc/88/68/06/411886806.db2.gz BZWVQIZZWHHOFK-LLVKDONJSA-N 0 3 226.320 0.577 20 0 BCADHN Cc1nccn1CCN1CCC(=O)N(C)CC1 ZINC000661805290 411886848 /nfs/dbraw/zinc/88/68/48/411886848.db2.gz FXVHROOEIRNFOD-UHFFFAOYSA-N 0 3 236.319 0.356 20 0 BCADHN COC[C@H](C)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662011854 411941859 /nfs/dbraw/zinc/94/18/59/411941859.db2.gz AKABZKAUMLZCBZ-QWRGUYRKSA-N 0 3 243.351 0.709 20 0 BCADHN CN1CCN([C@@H]2CCCOC2)CCC1=O ZINC000661809976 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CC[C@@H]1C[C@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000333862475 171133098 /nfs/dbraw/zinc/13/30/98/171133098.db2.gz ZQLMVTXPGVTRJV-OUAUKWLOSA-N 0 3 241.335 0.320 20 0 BCADHN CC[C@@](C)(CCO)NCc1cnnn1C ZINC000134466834 171166549 /nfs/dbraw/zinc/16/65/49/171166549.db2.gz LHPINQKZFOBANX-JTQLQIEISA-N 0 3 212.297 0.456 20 0 BCADHN CC[C@@](C)(CO)NC(=O)CN(C)C(C)C ZINC000332446867 171168816 /nfs/dbraw/zinc/16/88/16/171168816.db2.gz FUQTUKVQWDXYOU-NSHDSACASA-N 0 3 216.325 0.604 20 0 BCADHN CC(C)[C@H]1CN(C[C@H]2CNCCO2)CCO1 ZINC000662278938 412070776 /nfs/dbraw/zinc/07/07/76/412070776.db2.gz OBDPAZFCXRAOFY-VXGBXAGGSA-N 0 3 228.336 0.332 20 0 BCADHN CCC[C@H]1CN(C[C@@H]2CNCCO2)CCO1 ZINC000662278700 412070834 /nfs/dbraw/zinc/07/08/34/412070834.db2.gz KOGVQBWHPNSLBW-RYUDHWBXSA-N 0 3 228.336 0.476 20 0 BCADHN CC[C@@](C)(NCCc1cccnc1)C(N)=O ZINC000303336865 171175363 /nfs/dbraw/zinc/17/53/63/171175363.db2.gz WJPXTZVFUHVKSV-GFCCVEGCSA-N 0 3 221.304 0.868 20 0 BCADHN CC[C@@](C)(NCCn1nc(C)cc1C)C(N)=O ZINC000351233072 171175827 /nfs/dbraw/zinc/17/58/27/171175827.db2.gz ZDDKGJMVGKBLQY-GFCCVEGCSA-N 0 3 238.335 0.744 20 0 BCADHN CC[C@@](C)(NCCOC1CCC1)C(N)=O ZINC000336773434 171176468 /nfs/dbraw/zinc/17/64/68/171176468.db2.gz YTFIZRMDCNDAOK-LLVKDONJSA-N 0 3 214.309 0.799 20 0 BCADHN C[C@H](CO)C1CCN(C[C@H]2CNCCO2)CC1 ZINC000662286200 412076565 /nfs/dbraw/zinc/07/65/65/412076565.db2.gz POSYFNIWRAQODS-DGCLKSJQSA-N 0 3 242.363 0.315 20 0 BCADHN CC[C@@](C)(OC)C(=O)NCCN(C)CCOC ZINC000358940206 171189128 /nfs/dbraw/zinc/18/91/28/171189128.db2.gz WFEMXLSEZSYGDM-GFCCVEGCSA-N 0 3 246.351 0.496 20 0 BCADHN CC[C@@]1(C)COCCN1C[C@H](O)COC ZINC000340889853 171205268 /nfs/dbraw/zinc/20/52/68/171205268.db2.gz RDKMBZARPJHKTD-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN FC1(F)C[C@@]12CCN(C[C@H]1CNCCO1)C2 ZINC000662285138 412077531 /nfs/dbraw/zinc/07/75/31/412077531.db2.gz XWAQOEQQAWNTMV-NXEZZACHSA-N 0 3 232.274 0.706 20 0 BCADHN CC[C@@]1(C)C[C@@H]1C(=O)N[C@@H](CO)C(=O)OC ZINC000188730979 171207268 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/nfs/dbraw/zinc/22/64/49/171226449.db2.gz TZJNCKLOUZTXMK-RKDXNWHRSA-N 0 3 216.325 0.602 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](C)N(C)[C@H](C)C1)N(C)C ZINC000358709972 171226504 /nfs/dbraw/zinc/22/65/04/171226504.db2.gz AZGHITOUICTBLW-IJLUTSLNSA-N 0 3 241.379 0.878 20 0 BCADHN CC[C@H](C(=O)NCC1(CO)CCC1)N(C)C ZINC000182285883 171227463 /nfs/dbraw/zinc/22/74/63/171227463.db2.gz MQSLCDCRTBPOQI-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](C(=O)NCC[C@@H](O)C(C)C)N(C)C ZINC000305113918 171228231 /nfs/dbraw/zinc/22/82/31/171228231.db2.gz HEKVFPOHQPXGNJ-GHMZBOCLSA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@H](C(=O)NCCn1cccn1)N(C)C ZINC000163464361 171228149 /nfs/dbraw/zinc/22/81/49/171228149.db2.gz LGLMVYRTWGKVIN-SNVBAGLBSA-N 0 3 224.308 0.340 20 0 BCADHN CC[C@H](C(=O)NCCc1cnn(C)c1)N(C)C ZINC000124855894 171228321 /nfs/dbraw/zinc/22/83/21/171228321.db2.gz PFPDGXAJARGRPG-LLVKDONJSA-N 0 3 238.335 0.419 20 0 BCADHN CC[C@H](C(=O)NCCn1cc(C)cn1)N(C)C ZINC000152597797 171228605 /nfs/dbraw/zinc/22/86/05/171228605.db2.gz IBUAGXVDCYYDGA-LLVKDONJSA-N 0 3 238.335 0.648 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1CCCC[C@H]1O)N(C)C ZINC000246842161 171229689 /nfs/dbraw/zinc/22/96/89/171229689.db2.gz BAQKJYCROSMMKC-IJLUTSLNSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1CCCN1C)C(=O)OC ZINC000338766763 171229728 /nfs/dbraw/zinc/22/97/28/171229728.db2.gz PYALMXNFKMIMFK-NXEZZACHSA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1CCC[C@H]1O)N(C)C ZINC000305065389 171229757 /nfs/dbraw/zinc/22/97/57/171229757.db2.gz IIPHDVCHWPTFCT-GMTAPVOTSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1[C@H]2COC[C@H]21)N(C)C ZINC000376436469 171230357 /nfs/dbraw/zinc/23/03/57/171230357.db2.gz QVHVONDWBMQBFT-CHWFTXMASA-N 0 3 226.320 0.335 20 0 BCADHN CC[C@H](C(=O)NCc1nccn1C)N(C)C ZINC000359214856 171230611 /nfs/dbraw/zinc/23/06/11/171230611.db2.gz HNIWQOMETWXKLN-SECBINFHSA-N 0 3 224.308 0.377 20 0 BCADHN CC[C@H](C(=O)NCc1c[nH]cn1)N(C)C ZINC000338964875 171231326 /nfs/dbraw/zinc/23/13/26/171231326.db2.gz DHYHELBXDCCQFJ-SECBINFHSA-N 0 3 210.281 0.366 20 0 BCADHN CC[C@H](C(=O)NCc1cnc[nH]1)N(C)C ZINC000338964875 171231327 /nfs/dbraw/zinc/23/13/27/171231327.db2.gz DHYHELBXDCCQFJ-SECBINFHSA-N 0 3 210.281 0.366 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCC[C@H]1CCO)N(C)C ZINC000249526696 171232065 /nfs/dbraw/zinc/23/20/65/171232065.db2.gz YTEFUMHOVBNSND-QJPTWQEYSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)c1nncn1C)N(C)C ZINC000330539504 171232562 /nfs/dbraw/zinc/23/25/62/171232562.db2.gz GRWOFXWMDYBVAJ-RKDXNWHRSA-N 0 3 239.323 0.333 20 0 BCADHN CC[C@H](C(=O)N[C@H](CO)C1CCCC1)N(C)C ZINC000359645107 171232991 /nfs/dbraw/zinc/23/29/91/171232991.db2.gz ZJZPZPLBOHFMGD-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(N)=O)N(C)CC1CCOCC1 ZINC000107065143 171243819 /nfs/dbraw/zinc/24/38/19/171243819.db2.gz DPAYBRHCYJLUIT-SNVBAGLBSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H](C2CCOCC2)C1 ZINC000372212972 171244156 /nfs/dbraw/zinc/24/41/56/171244156.db2.gz SSJCOAHGHWEQAN-NWDGAFQWSA-N 0 3 240.347 0.999 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128309447 171244224 /nfs/dbraw/zinc/24/42/24/171244224.db2.gz PQNQKQMKNBUSMF-NQBHXWOUSA-N 0 3 240.347 0.877 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H](O)CC1 ZINC000306210299 171244408 /nfs/dbraw/zinc/24/44/08/171244408.db2.gz NYZVZSZGCDZIOW-DTWKUNHWSA-N 0 3 200.282 0.097 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@](CC)(CO)C1 ZINC000249599129 171245163 /nfs/dbraw/zinc/24/51/63/171245163.db2.gz XSKVIWGIVCKXFF-PWSUYJOCSA-N 0 3 228.336 0.735 20 0 BCADHN c1cncc([C@H]2CCN(C[C@H]3CNCCO3)C2)c1 ZINC000662283926 412074979 /nfs/dbraw/zinc/07/49/79/412074979.db2.gz RKPAYZOEXVZMGZ-UONOGXRCSA-N 0 3 247.342 0.859 20 0 BCADHN CC[C@H](C)CN(C)CC(=O)N1CCN(C)CC1 ZINC000093173259 171272378 /nfs/dbraw/zinc/27/23/78/171272378.db2.gz IYRXZQXLKZIYJV-LBPRGKRZSA-N 0 3 241.379 0.738 20 0 BCADHN CC[C@H](C)CN(C)CC(=O)N1CCOCC1 ZINC000111254990 171272541 /nfs/dbraw/zinc/27/25/41/171272541.db2.gz RYOGWRMLEXGWQU-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN CC[C@H](C)CN1CCN(CC(=O)OC)CC1 ZINC000355278017 171280211 /nfs/dbraw/zinc/28/02/11/171280211.db2.gz PFEBBWVREVNNGK-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN CC[C@H](C)CN1CCC[C@H]1CS(N)(=O)=O ZINC000407947815 171280290 /nfs/dbraw/zinc/28/02/90/171280290.db2.gz DYNGPBXTOZFSOQ-UWVGGRQHSA-N 0 3 234.365 0.785 20 0 BCADHN CC[C@H](C)N(C)CC(=O)NC(=O)NC ZINC000102705252 171305180 /nfs/dbraw/zinc/30/51/80/171305180.db2.gz HMXCHGYRQVUYBG-ZETCQYMHSA-N 0 3 201.270 0.172 20 0 BCADHN CC[C@H](C)N(CCO)CC(=O)NC(C)C ZINC000308832383 171313787 /nfs/dbraw/zinc/31/37/87/171313787.db2.gz UUBDGRNJGMCOQA-JTQLQIEISA-N 0 3 216.325 0.604 20 0 BCADHN CC[C@H](C)N(CCO)CC(=O)N(C)C(C)C ZINC000309359056 171314635 /nfs/dbraw/zinc/31/46/35/171314635.db2.gz YYDWTFCYUNDCNK-NSHDSACASA-N 0 3 230.352 0.946 20 0 BCADHN CC[C@H](C)N1CCc2n[nH]c(=O)cc2C1 ZINC000275499103 171320197 /nfs/dbraw/zinc/32/01/97/171320197.db2.gz BVWSKPNGTDHDCJ-QMMMGPOBSA-N 0 3 207.277 0.927 20 0 BCADHN CC[C@H](C)NC(=O)CCNCc1cnn(C)c1 ZINC000038013938 171322623 /nfs/dbraw/zinc/32/26/23/171322623.db2.gz RERGMLJMRMVYCW-JTQLQIEISA-N 0 3 238.335 0.815 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](CCO)C(C)C ZINC000300393845 171370775 /nfs/dbraw/zinc/37/07/75/171370775.db2.gz AFBNMZUUWSCXHN-HBNTYKKESA-N 0 3 230.352 0.883 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)COC ZINC000041679410 171370788 /nfs/dbraw/zinc/37/07/88/171370788.db2.gz ZHLDBXCERGLHTH-KXUCPTDWSA-N 0 3 216.325 0.759 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCCn1ccnc1 ZINC000020506369 171371181 /nfs/dbraw/zinc/37/11/81/171371181.db2.gz ZKWZUNLTPNTPQL-WDEREUQCSA-N 0 3 238.335 0.763 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000246692383 171371185 /nfs/dbraw/zinc/37/11/85/171371185.db2.gz PKERZIHAXOKNIV-ATZCPNFKSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCCOCCOC ZINC000040829905 171371568 /nfs/dbraw/zinc/37/15/68/171371568.db2.gz CQILPLSECOIRAP-WDEREUQCSA-N 0 3 246.351 0.529 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCc1nc(C)no1 ZINC000038035031 171371790 /nfs/dbraw/zinc/37/17/90/171371790.db2.gz BJIFAXGGJDZIGI-IMTBSYHQSA-N 0 3 226.280 0.368 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)Nc1cnn(C)c1 ZINC000035738040 171372730 /nfs/dbraw/zinc/37/27/30/171372730.db2.gz BYSFMLHQLLPIKB-IONNQARKSA-N 0 3 210.281 0.732 20 0 BCADHN CN(C)C1(C(=O)N(C)C2CCN(C)CC2)CC1 ZINC000665072983 412082352 /nfs/dbraw/zinc/08/23/52/412082352.db2.gz CBDITXJEDZXZIB-UHFFFAOYSA-N 0 3 239.363 0.633 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)Cc1nc[nH]c1C ZINC000279358742 171376730 /nfs/dbraw/zinc/37/67/30/171376730.db2.gz KCFNQJWGTBERFO-KWQFWETISA-N 0 3 239.319 0.784 20 0 BCADHN CC[C@H](C)[C@@H](OC)C(=O)NCCN(C)C ZINC000353344071 171380414 /nfs/dbraw/zinc/38/04/14/171380414.db2.gz LCEIENMPCMKOSL-VHSXEESVSA-N 0 3 216.325 0.725 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)Cc1cnn(C)c1 ZINC000037800749 171393619 /nfs/dbraw/zinc/39/36/19/171393619.db2.gz OJZHALHFISIGSJ-ONGXEEELSA-N 0 3 238.335 0.752 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](O)C1 ZINC000040459851 171393868 /nfs/dbraw/zinc/39/38/68/171393868.db2.gz SGNZWIYANWHCIK-AEJSXWLSSA-N 0 3 214.309 0.343 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCCCC(=O)OC ZINC000083372979 171393941 /nfs/dbraw/zinc/39/39/41/171393941.db2.gz STEQBSWTCQSWLY-ONGXEEELSA-N 0 3 244.335 0.819 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCNC(=O)C[C@H]1C ZINC000365009779 171394262 /nfs/dbraw/zinc/39/42/62/171394262.db2.gz MPAVQQOIUTWTLJ-NGZCFLSTSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCCO[C@H](C)C1 ZINC000061920204 171394738 /nfs/dbraw/zinc/39/47/38/171394738.db2.gz AJWNFQZODFALHQ-AXFHLTTASA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C(=O)OC ZINC000049361391 171394966 /nfs/dbraw/zinc/39/49/66/171394966.db2.gz FCQQYMLKPAVCGT-RNJXMRFFSA-N 0 3 216.281 0.038 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCCn1ccnc1 ZINC000020506371 171395096 /nfs/dbraw/zinc/39/50/96/171395096.db2.gz ZKWZUNLTPNTPQL-QWRGUYRKSA-N 0 3 238.335 0.763 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCc1nc(C)no1 ZINC000226329489 171395544 /nfs/dbraw/zinc/39/55/44/171395544.db2.gz XJZQVQYXXDHEAA-XVKPBYJWSA-N 0 3 240.307 0.410 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)Cn1cccn1 ZINC000040462010 171395612 /nfs/dbraw/zinc/39/56/12/171395612.db2.gz DWLGMEKKHURUHJ-AXFHLTTASA-N 0 3 238.335 0.761 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCCn1cccn1 ZINC000124062920 171395651 /nfs/dbraw/zinc/39/56/51/171395651.db2.gz HLJHSTYUQBRLHP-QWRGUYRKSA-N 0 3 238.335 0.763 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)Cn1cccn1 ZINC000036999202 171395972 /nfs/dbraw/zinc/39/59/72/171395972.db2.gz DWLGMEKKHURUHJ-DCAQKATOSA-N 0 3 238.335 0.761 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)c1nncn1C ZINC000040463153 171396889 /nfs/dbraw/zinc/39/68/89/171396889.db2.gz WSVYZNZWWYNPPS-YIZRAAEISA-N 0 3 239.323 0.366 20 0 BCADHN CC(C)NCC(=O)Nc1c[nH]ccc1=O ZINC000662386896 412140135 /nfs/dbraw/zinc/14/01/35/412140135.db2.gz 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BCADHN CCc1cc(NC(=O)[C@H](CC)NC)n(C)n1 ZINC000662461873 412182668 /nfs/dbraw/zinc/18/26/68/412182668.db2.gz FMPYQNGFPQIUHV-VIFPVBQESA-N 0 3 224.308 0.919 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000662472450 412187506 /nfs/dbraw/zinc/18/75/06/412187506.db2.gz RGTQXJDKFXNMRF-AXTSPUMRSA-N 0 3 226.320 0.524 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1nc(C)ns1 ZINC000662481289 412189405 /nfs/dbraw/zinc/18/94/05/412189405.db2.gz ZVIVIKWGHJNZPE-ZCFIWIBFSA-N 0 3 214.294 0.783 20 0 BCADHN CC[C@H](NC)C(=O)N(CC(N)=O)C1CCCC1 ZINC000662477222 412189517 /nfs/dbraw/zinc/18/95/17/412189517.db2.gz CNNSMVSIAPTTPH-JTQLQIEISA-N 0 3 241.335 0.241 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1C[C@](C)(OC)C1(C)C ZINC000662484097 412189823 /nfs/dbraw/zinc/18/98/23/412189823.db2.gz HWYLEDYOXMYUQZ-AUTRQRHGSA-N 0 3 228.336 0.914 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000662484100 412189999 /nfs/dbraw/zinc/18/99/99/412189999.db2.gz HWYLEDYOXMYUQZ-SBMIAAHKSA-N 0 3 228.336 0.914 20 0 BCADHN 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/nfs/dbraw/zinc/25/72/86/412257286.db2.gz CKYJFBPFZJDHIU-VIFPVBQESA-N 0 3 237.303 0.630 20 0 BCADHN CC(C)(N)C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000564940929 412257505 /nfs/dbraw/zinc/25/75/05/412257505.db2.gz UYBZJUAXFSDPBA-QMMMGPOBSA-N 0 3 238.291 0.937 20 0 BCADHN CN1CC[C@](O)(CNc2ccnc(C3CC3)n2)C1 ZINC000358330795 412257907 /nfs/dbraw/zinc/25/79/07/412257907.db2.gz FXGUFPRPSAMAAH-ZDUSSCGKSA-N 0 3 248.330 0.833 20 0 BCADHN CN1CC[C@](O)(CNc2cc(C3CC3)ncn2)C1 ZINC000641489052 412258383 /nfs/dbraw/zinc/25/83/83/412258383.db2.gz KNTDAHNOZBHDDD-ZDUSSCGKSA-N 0 3 248.330 0.833 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCc1ccoc1 ZINC000662662141 412261062 /nfs/dbraw/zinc/26/10/62/412261062.db2.gz AKFDUFBMWDZWIM-SNVBAGLBSA-N 0 3 210.277 0.922 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)CC1=CCCOC1 ZINC000662662430 412262222 /nfs/dbraw/zinc/26/22/22/412262222.db2.gz QFMPZVAHLAKGIT-LLVKDONJSA-N 0 3 226.320 0.775 20 0 BCADHN CC(C)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000338819870 412264102 /nfs/dbraw/zinc/26/41/02/412264102.db2.gz QEAVOLUHPWMVOU-UHFFFAOYSA-N 0 3 224.308 1.039 20 0 BCADHN CNCC(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000662736508 412288816 /nfs/dbraw/zinc/28/88/16/412288816.db2.gz KGMYXQPXAJGFPA-CYZMBNFOSA-N 0 3 234.274 0.799 20 0 BCADHN C[C@H]1C[C@@H](NCCNc2cnccn2)CO1 ZINC000647191817 412268319 /nfs/dbraw/zinc/26/83/19/412268319.db2.gz BWBXEZIIMQOUHN-VHSXEESVSA-N 0 3 222.292 0.656 20 0 BCADHN C[C@H]1C[C@@H](Nc2ccc(C#N)nn2)CCN1C ZINC000396979863 412268834 /nfs/dbraw/zinc/26/88/34/412268834.db2.gz UWKYEDVJALLPJC-UWVGGRQHSA-N 0 3 231.303 1.243 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@H](CCF)C1 ZINC000662686853 412270822 /nfs/dbraw/zinc/27/08/22/412270822.db2.gz AVJHFJDTPFPOQG-RKDXNWHRSA-N 0 3 202.273 0.932 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000662690221 412272001 /nfs/dbraw/zinc/27/20/01/412272001.db2.gz LAXCYHRMYACICX-MDZLAQPJSA-N 0 3 240.347 0.855 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000662690532 412272180 /nfs/dbraw/zinc/27/21/80/412272180.db2.gz OIYAHEXYAMQEFR-NOHGZBONSA-N 0 3 240.347 0.855 20 0 BCADHN CNCC(=O)N1CCC[C@@H](CCF)C1 ZINC000662689734 412272183 /nfs/dbraw/zinc/27/21/83/412272183.db2.gz WTYLHUAKCZYKCW-VIFPVBQESA-N 0 3 202.273 0.804 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCC(=O)N(C)CC1 ZINC000662695771 412274837 /nfs/dbraw/zinc/27/48/37/412274837.db2.gz PQCOKJGMLLABER-ONGXEEELSA-N 0 3 241.335 0.051 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCc2nccnc2C1 ZINC000662735567 412289137 /nfs/dbraw/zinc/28/91/37/412289137.db2.gz WEHBBBQSIKJVRF-ZDUSSCGKSA-N 0 3 248.330 0.879 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N1CC[C@@H]2C[C@@H]2C1 ZINC000662702439 412275105 /nfs/dbraw/zinc/27/51/05/412275105.db2.gz ABAFXXWRQXNGKO-GMTAPVOTSA-N 0 3 224.304 0.233 20 0 BCADHN C[C@H]1[C@@H](Nc2ccc(=O)n(C)n2)CCCN1C ZINC000413236144 412275352 /nfs/dbraw/zinc/27/53/52/412275352.db2.gz GMSOUZCHAJDHSG-UWVGGRQHSA-N 0 3 236.319 0.675 20 0 BCADHN O=C(CNC1CC1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662712011 412279738 /nfs/dbraw/zinc/27/97/38/412279738.db2.gz PNRFZHHBYLOFME-ZJUUUORDSA-N 0 3 224.304 0.233 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662711596 412279870 /nfs/dbraw/zinc/27/98/70/412279870.db2.gz NHLBNCPVIBMMTI-SRVKXCTJSA-N 0 3 240.347 0.855 20 0 BCADHN CC(C)(C)n1nccc1NC(=O)[C@H]1CCN1 ZINC000662738495 412289314 /nfs/dbraw/zinc/28/93/14/412289314.db2.gz XEZKLVUNUSMSNN-MRVPVSSYSA-N 0 3 222.292 0.939 20 0 BCADHN CN1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662763123 412284633 /nfs/dbraw/zinc/28/46/33/412284633.db2.gz MFIOHPNZYGZLOS-UHFFFAOYSA-N 0 3 237.347 0.435 20 0 BCADHN CNCC(=O)N1CCOc2ccc(O)cc2C1 ZINC000662731215 412286351 /nfs/dbraw/zinc/28/63/51/412286351.db2.gz CBWDWIQIXABOJW-UHFFFAOYSA-N 0 3 236.271 0.333 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)Nc1cccnn1 ZINC000643261911 412218484 /nfs/dbraw/zinc/21/84/84/412218484.db2.gz GDGMGJXDLDDLTD-JTQLQIEISA-N 0 3 249.318 1.035 20 0 BCADHN CC1(C)CN(C(=O)c2cnc3n2CCC3)CCN1 ZINC000662572889 412225001 /nfs/dbraw/zinc/22/50/01/412225001.db2.gz OVJXGGWPHVNLJT-UHFFFAOYSA-N 0 3 248.330 0.653 20 0 BCADHN CC(C)NCC(=O)N1CCC([C@H](C)CO)CC1 ZINC000662584956 412230137 /nfs/dbraw/zinc/23/01/37/412230137.db2.gz SCROPXHRLPPZPN-LLVKDONJSA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@H](N)C(=O)NCCC1CC(OC)C1 ZINC000662602111 412235478 /nfs/dbraw/zinc/23/54/78/412235478.db2.gz PEIMQNHHJLKPLD-RTBKNWGFSA-N 0 3 214.309 0.655 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H](C)c1ccccn1 ZINC000662604641 412236532 /nfs/dbraw/zinc/23/65/32/412236532.db2.gz FVLMNAPUUNLACM-UWVGGRQHSA-N 0 3 221.304 0.909 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](C)c1ccccn1 ZINC000662607016 412238530 /nfs/dbraw/zinc/23/85/30/412238530.db2.gz ZLVDJQHOODFZCH-RKDXNWHRSA-N 0 3 207.277 0.649 20 0 BCADHN CNCC(=O)NC[C@H](C)c1ccccn1 ZINC000662606965 412239110 /nfs/dbraw/zinc/23/91/10/412239110.db2.gz YLZMAOAMBVPUJJ-VIFPVBQESA-N 0 3 207.277 0.521 20 0 BCADHN CO[C@@H](CNC(=O)C1(N)CCC1)[C@H]1CCOC1 ZINC000662615016 412241620 /nfs/dbraw/zinc/24/16/20/412241620.db2.gz COWTUKUMYPFSGM-UWVGGRQHSA-N 0 3 242.319 0.036 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)C1(N)CC2(CCC2)C1 ZINC000662612668 412241649 /nfs/dbraw/zinc/24/16/49/412241649.db2.gz XFRNZBREDQPGAU-SNVBAGLBSA-N 0 3 240.347 0.877 20 0 BCADHN Nc1cccc(CNC(=O)C(N)C(F)(F)F)c1 ZINC000662614100 412241692 /nfs/dbraw/zinc/24/16/92/412241692.db2.gz OZPNRUIZLLWCSJ-QMMMGPOBSA-N 0 3 247.220 0.775 20 0 BCADHN CN[C@@H](C)C(=O)N(C)Cc1ccc(OC)nc1 ZINC000662619199 412244708 /nfs/dbraw/zinc/24/47/08/412244708.db2.gz JUCWLZNFZQKLRV-VIFPVBQESA-N 0 3 237.303 0.657 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000662626906 412247447 /nfs/dbraw/zinc/24/74/47/412247447.db2.gz MWNXBLOJSXHLOH-NXEZZACHSA-N 0 3 241.335 0.145 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000662626908 412247516 /nfs/dbraw/zinc/24/75/16/412247516.db2.gz MWNXBLOJSXHLOH-VHSXEESVSA-N 0 3 241.335 0.145 20 0 BCADHN CN1CCC(n2ccc(NC(N)=O)n2)CC1 ZINC000491259129 412251736 /nfs/dbraw/zinc/25/17/36/412251736.db2.gz NTVYUBYQNLSXKH-UHFFFAOYSA-N 0 3 223.280 0.640 20 0 BCADHN CN1CCC[C@H]1CNc1nccn2nnnc12 ZINC000531145068 412252779 /nfs/dbraw/zinc/25/27/79/412252779.db2.gz IMQJMLXXLXRQDL-QMMMGPOBSA-N 0 3 233.279 0.025 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000662804285 412306358 /nfs/dbraw/zinc/30/63/58/412306358.db2.gz CXSLKNFSVKUAPX-LNFKQOIKSA-N 0 3 238.331 0.668 20 0 BCADHN C[C@@H](N)C(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000663001431 412366274 /nfs/dbraw/zinc/36/62/74/412366274.db2.gz UQSUOIVYESFACV-PJKMHFRUSA-N 0 3 236.262 0.605 20 0 BCADHN C[C@@H](N)C(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000663001425 412366313 /nfs/dbraw/zinc/36/63/13/412366313.db2.gz UQSUOIVYESFACV-BRDIYROLSA-N 0 3 236.262 0.605 20 0 BCADHN CNc1ccc(NC(=O)[C@H]2C[C@@H](C)CCN2)cn1 ZINC000417858137 412313179 /nfs/dbraw/zinc/31/31/79/412313179.db2.gz UUPJBUUDCFDGDR-GXSJLCMTSA-N 0 3 248.330 1.450 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2(NC3CC3)CCC2)CO1 ZINC000662825432 412313161 /nfs/dbraw/zinc/31/31/61/412313161.db2.gz UOKXUHGDBZWSPH-MWLCHTKSSA-N 0 3 238.331 0.955 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@H](OC)CC1 ZINC000662834392 412315278 /nfs/dbraw/zinc/31/52/78/412315278.db2.gz GKJHRCSTUZKGNM-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@H](N)C(C)C)CC1 ZINC000662835271 412315724 /nfs/dbraw/zinc/31/57/24/412315724.db2.gz LVCAARYWXJGGAE-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN Cc1c(CN)c(NC(=O)C(C)C)nn1C ZINC000662838497 412316276 /nfs/dbraw/zinc/31/62/76/412316276.db2.gz HLEQTCBDBKWMIE-UHFFFAOYSA-N 0 3 210.281 0.782 20 0 BCADHN CO[C@H]1CCCN(C(=O)C(C)(C)N)CC1 ZINC000662835660 412316713 /nfs/dbraw/zinc/31/67/13/412316713.db2.gz QZDRBDFHAMUJRL-VIFPVBQESA-N 0 3 214.309 0.751 20 0 BCADHN CC(C)c1cc(NC(=O)[C@H]2NCC2(C)C)n[nH]1 ZINC000645754804 412320832 /nfs/dbraw/zinc/32/08/32/412320832.db2.gz WSXTWDCQSUHFDE-SNVBAGLBSA-N 0 3 236.319 1.470 20 0 BCADHN CC(C)c1cc(NC(=O)[C@@H]2NCC2(C)C)n[nH]1 ZINC000645754801 412320975 /nfs/dbraw/zinc/32/09/75/412320975.db2.gz WSXTWDCQSUHFDE-JTQLQIEISA-N 0 3 236.319 1.470 20 0 BCADHN CC(C)c1cc(NC(=O)[C@H](N)CC(F)F)n[nH]1 ZINC000383406046 412320993 /nfs/dbraw/zinc/32/09/93/412320993.db2.gz RLVOATGOAPYEJJ-ZCFIWIBFSA-N 0 3 246.261 1.454 20 0 BCADHN COC[C@H](CCNC(=O)C1(N)CCCC1)OC ZINC000662848004 412321042 /nfs/dbraw/zinc/32/10/42/412321042.db2.gz RLGMTIHNSLLGCG-JTQLQIEISA-N 0 3 244.335 0.426 20 0 BCADHN CC[C@H](NC)C(=O)Nc1c(C)cnn1C ZINC000662850217 412321767 /nfs/dbraw/zinc/32/17/67/412321767.db2.gz RAQNFQPRAHSGSY-QMMMGPOBSA-N 0 3 210.281 0.665 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](CO)C1CCC1 ZINC000662850251 412321907 /nfs/dbraw/zinc/32/19/07/412321907.db2.gz SHYVCWIRWBDJMZ-GDPRMGEGSA-N 0 3 228.336 0.637 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N[C@@H](CO)C2CCC2)C1 ZINC000662852024 412322660 /nfs/dbraw/zinc/32/26/60/412322660.db2.gz GZOWSYSACXDMQY-JLLWLGSASA-N 0 3 240.347 0.652 20 0 BCADHN NC1(C(=O)NC/C=C\CO)Cc2ccccc2C1 ZINC000662855537 412325345 /nfs/dbraw/zinc/32/53/45/412325345.db2.gz INZACNMMVATKEG-ARJAWSKDSA-N 0 3 246.310 0.147 20 0 BCADHN N[C@@H](CC(=O)NC/C=C/CO)c1ccccc1 ZINC000662856430 412326074 /nfs/dbraw/zinc/32/60/74/412326074.db2.gz TVUQDWBMIDDLJW-ITKZLYELSA-N 0 3 234.299 0.741 20 0 BCADHN CC1(C)CCCN[C@@H]1C(=O)NC/C=C\CO ZINC000662857606 412326469 /nfs/dbraw/zinc/32/64/69/412326469.db2.gz BMNVZOQYPSLLAD-UMBAGQNISA-N 0 3 226.320 0.429 20 0 BCADHN CC(C)n1ccc(NC(=O)[C@H]2CCN(C)C2)n1 ZINC000336333229 412327731 /nfs/dbraw/zinc/32/77/31/412327731.db2.gz DGNWJONYFXVUGG-JTQLQIEISA-N 0 3 236.319 1.354 20 0 BCADHN O=C(NCCO[C@H]1CC1(F)F)[C@@H]1CCCCN1 ZINC000662861851 412327890 /nfs/dbraw/zinc/32/78/90/412327890.db2.gz VZTAETZVQRITLJ-IUCAKERBSA-N 0 3 248.273 0.669 20 0 BCADHN O=C(NC/C=C/CO)[C@@H]1CNCc2ccccc21 ZINC000662859495 412327966 /nfs/dbraw/zinc/32/79/66/412327966.db2.gz NMFXPXREPCATBZ-ITDFMYJTSA-N 0 3 246.310 0.538 20 0 BCADHN O=C(NCCO[C@@H]1CC1(F)F)[C@@H]1CCCCN1 ZINC000662861850 412328408 /nfs/dbraw/zinc/32/84/08/412328408.db2.gz VZTAETZVQRITLJ-DTWKUNHWSA-N 0 3 248.273 0.669 20 0 BCADHN CCC1(CNC(=O)COC2(C)CNC2)CC1 ZINC000219027657 412329980 /nfs/dbraw/zinc/32/99/80/412329980.db2.gz UEXBCUNEEHSNSZ-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN C[C@H](N)C(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000663001427 412367040 /nfs/dbraw/zinc/36/70/40/412367040.db2.gz UQSUOIVYESFACV-FWWHASMVSA-N 0 3 236.262 0.605 20 0 BCADHN C[C@]12COC[C@H]1CN(C(=O)[C@@H]1CCCCN1)C2 ZINC000662880358 412334812 /nfs/dbraw/zinc/33/48/12/412334812.db2.gz KGCUIZPRFZKBFZ-MDZLAQPJSA-N 0 3 238.331 0.623 20 0 BCADHN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)CN)cn1 ZINC000662884642 412334907 /nfs/dbraw/zinc/33/49/07/412334907.db2.gz YBPJTPDWZGNGIU-QWRGUYRKSA-N 0 3 236.319 0.206 20 0 BCADHN CN(Cc1cn(C)nn1)C(=O)C1(N)CCCC1 ZINC000662883710 412335155 /nfs/dbraw/zinc/33/51/55/412335155.db2.gz NKIGWDKXJJISDW-UHFFFAOYSA-N 0 3 237.307 0.045 20 0 BCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C1(N)CC1 ZINC000662886119 412336200 /nfs/dbraw/zinc/33/62/00/412336200.db2.gz BHAUCKUNXADKPC-LLVKDONJSA-N 0 3 239.363 0.714 20 0 BCADHN COCCN1CC[C@H](Nc2cccnn2)C1 ZINC000390524626 412368441 /nfs/dbraw/zinc/36/84/41/412368441.db2.gz GHIROWHUZCOQIP-JTQLQIEISA-N 0 3 222.292 0.609 20 0 BCADHN NCC(=O)N1CCC([C@H]2CCCCO2)CC1 ZINC000662891908 412337458 /nfs/dbraw/zinc/33/74/58/412337458.db2.gz UZINNGJBAQUWSI-LLVKDONJSA-N 0 3 226.320 0.753 20 0 BCADHN COC(=O)c1cc(NCCN(C)C)ncn1 ZINC000603268592 412338731 /nfs/dbraw/zinc/33/87/31/412338731.db2.gz STQLHOFSLVSCRO-UHFFFAOYSA-N 0 3 224.264 0.237 20 0 BCADHN CC(F)(F)CNC(=O)[C@@H]1NCC1(C)C ZINC000662897046 412338813 /nfs/dbraw/zinc/33/88/13/412338813.db2.gz BWCUGZFPVZUFRS-LURJTMIESA-N 0 3 206.236 0.756 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)c1nccn1CC ZINC000662899615 412339653 /nfs/dbraw/zinc/33/96/53/412339653.db2.gz GXDOMEZLASMRDY-BDAKNGLRSA-N 0 3 224.308 0.818 20 0 BCADHN CNCC(=O)N(C)c1ccc(OC)nc1 ZINC000662901165 412340069 /nfs/dbraw/zinc/34/00/69/412340069.db2.gz TYBWDMFQQZIPQF-UHFFFAOYSA-N 0 3 209.249 0.272 20 0 BCADHN NC1(C(=O)N2CC[C@]3(C2)CCCOC3)CC1 ZINC000662906808 412340933 /nfs/dbraw/zinc/34/09/33/412340933.db2.gz LVCXWFRVRDEVBE-NSHDSACASA-N 0 3 224.304 0.507 20 0 BCADHN CC1(OCC(=O)NC2CC3(CCC3)C2)CNC1 ZINC000662906682 412341400 /nfs/dbraw/zinc/34/14/00/412341400.db2.gz PIISWLGEVPDQNC-UHFFFAOYSA-N 0 3 238.331 0.814 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000662907979 412342486 /nfs/dbraw/zinc/34/24/86/412342486.db2.gz RMLKKVPRKRVMAS-AAEUAGOBSA-N 0 3 240.347 0.999 20 0 BCADHN O=C([C@H]1CCCCN1)N1CC[C@@H]2COC[C@H]2C1 ZINC000662918485 412344441 /nfs/dbraw/zinc/34/44/41/412344441.db2.gz INOZVLIZBYTUDW-IJLUTSLNSA-N 0 3 238.331 0.623 20 0 BCADHN COC(=O)c1cnc(NC[C@@H](C)N(C)C)nc1 ZINC000341739951 412347581 /nfs/dbraw/zinc/34/75/81/412347581.db2.gz BSIDDTRTKQAIQW-MRVPVSSYSA-N 0 3 238.291 0.625 20 0 BCADHN CN(C)CCN1CCN(C(=O)CCCF)CC1 ZINC000665529373 412347845 /nfs/dbraw/zinc/34/78/45/412347845.db2.gz INVXEZNCNYMMJK-UHFFFAOYSA-N 0 3 245.342 0.442 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC000665529185 412348378 /nfs/dbraw/zinc/34/83/78/412348378.db2.gz CBDCQEYAYZMUDW-SECBINFHSA-N 0 3 222.292 0.624 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccnc(OCCO)c1 ZINC000662933586 412349620 /nfs/dbraw/zinc/34/96/20/412349620.db2.gz GVKYHBIQXFDDDL-SECBINFHSA-N 0 3 239.275 0.129 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccnc(OCCO)c1 ZINC000662933588 412349724 /nfs/dbraw/zinc/34/97/24/412349724.db2.gz GVKYHBIQXFDDDL-VIFPVBQESA-N 0 3 239.275 0.129 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)c1nccn1C ZINC000662935092 412350024 /nfs/dbraw/zinc/35/00/24/412350024.db2.gz RXULCWBMQPMEEW-YUMQZZPRSA-N 0 3 210.281 0.205 20 0 BCADHN NCC(=O)NCc1cccc2c1OC(F)(F)O2 ZINC000662939180 412350955 /nfs/dbraw/zinc/35/09/55/412350955.db2.gz KWCMISAFNHQOHD-UHFFFAOYSA-N 0 3 244.197 0.583 20 0 BCADHN CC1(C)CCCN[C@H]1C(=O)NCCOCCF ZINC000663005342 412367648 /nfs/dbraw/zinc/36/76/48/412367648.db2.gz TXWPETQJBIEBMZ-JTQLQIEISA-N 0 3 246.326 0.867 20 0 BCADHN Cc1nccnc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662945181 412351722 /nfs/dbraw/zinc/35/17/22/412351722.db2.gz ICZYYAWGPRAOIR-RKDXNWHRSA-N 0 3 238.266 0.296 20 0 BCADHN COCCN1CCC[C@@H]1CNc1cccnn1 ZINC000557562073 412367770 /nfs/dbraw/zinc/36/77/70/412367770.db2.gz CGZOKKCHLRRKAJ-LLVKDONJSA-N 0 3 236.319 0.999 20 0 BCADHN C[C@H](N)C(=O)N(C)CC1=CCSC1 ZINC000662951040 412352503 /nfs/dbraw/zinc/35/25/03/412352503.db2.gz GVLJUXCKJBOLCB-ZETCQYMHSA-N 0 3 200.307 0.465 20 0 BCADHN CN(CC1=CCSC1)C(=O)CNC1CC1 ZINC000662951270 412352524 /nfs/dbraw/zinc/35/25/24/412352524.db2.gz KILUKOGXDGRMRJ-UHFFFAOYSA-N 0 3 226.345 0.870 20 0 BCADHN O=C(Nc1cc(CC2CC2)[nH]n1)[C@H]1CCN1 ZINC000634308649 412352675 /nfs/dbraw/zinc/35/26/75/412352675.db2.gz YYMHLLZUMKKZFF-SECBINFHSA-N 0 3 220.276 0.663 20 0 BCADHN CCCN[C@H](C)C(=O)Nc1cc(CC)[nH]n1 ZINC000645768695 412357546 /nfs/dbraw/zinc/35/75/46/412357546.db2.gz XASALKVJALBXOV-MRVPVSSYSA-N 0 3 224.308 1.299 20 0 BCADHN Cc1cn(C)nc1NC(=O)[C@@H](N)C1CCC1 ZINC000662970832 412360323 /nfs/dbraw/zinc/36/03/23/412360323.db2.gz QPGLXXYELRQNJG-VIFPVBQESA-N 0 3 222.292 0.794 20 0 BCADHN Cc1cn(C)nc1NC(=O)CCOC1CNC1 ZINC000662971189 412360712 /nfs/dbraw/zinc/36/07/12/412360712.db2.gz ZRTLBSXWRSCELD-UHFFFAOYSA-N 0 3 238.291 0.046 20 0 BCADHN Cc1cn(C)nc1NC(=O)[C@H]1CCCCN1 ZINC000662970493 412360943 /nfs/dbraw/zinc/36/09/43/412360943.db2.gz KNFNMTFAQQCEMS-SECBINFHSA-N 0 3 222.292 0.809 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCOCCF ZINC000663004873 412368124 /nfs/dbraw/zinc/36/81/24/412368124.db2.gz SFVPHQRVALDFLC-SNVBAGLBSA-N 0 3 220.288 0.606 20 0 BCADHN CNCC(=O)NC1(COC)CCCCC1 ZINC000662986812 412362456 /nfs/dbraw/zinc/36/24/56/412362456.db2.gz DAOPPNJTNFYECO-UHFFFAOYSA-N 0 3 214.309 0.671 20 0 BCADHN C[C@@]1(C(F)F)CN(C(=O)C2(N)CCC2)CCO1 ZINC000663001772 412365318 /nfs/dbraw/zinc/36/53/18/412365318.db2.gz KBUMBGPVWZKQDZ-JTQLQIEISA-N 0 3 248.273 0.750 20 0 BCADHN COCCN(C)CCNc1ncnc2[nH]ccc21 ZINC000339134499 412365605 /nfs/dbraw/zinc/36/56/05/412365605.db2.gz DUPFELNBTSXFMB-UHFFFAOYSA-N 0 3 249.318 0.948 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748107 412290124 /nfs/dbraw/zinc/29/01/24/412290124.db2.gz LRTWUJOCYPVXSR-NXEZZACHSA-N 0 3 231.315 0.226 20 0 BCADHN N[C@@H]1CN(C(=O)CCn2cccn2)CC[C@H]1F ZINC000662749723 412290797 /nfs/dbraw/zinc/29/07/97/412290797.db2.gz OZJPRNFHOFXYHO-NXEZZACHSA-N 0 3 240.282 0.171 20 0 BCADHN C[NH2+]CCC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000519773214 412291083 /nfs/dbraw/zinc/29/10/83/412291083.db2.gz MZOHZGSHELKHLB-UHFFFAOYSA-N 0 3 248.290 0.358 20 0 BCADHN C[NH2+]CCC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000519773214 412291086 /nfs/dbraw/zinc/29/10/86/412291086.db2.gz MZOHZGSHELKHLB-UHFFFAOYSA-N 0 3 248.290 0.358 20 0 BCADHN CN1CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662762795 412293469 /nfs/dbraw/zinc/29/34/69/412293469.db2.gz COASGVYUOHSNSF-UHFFFAOYSA-N 0 3 237.347 0.422 20 0 BCADHN CC[C@@H](N)C(=O)N1CCCc2c(cnn2C)C1 ZINC000662761724 412293951 /nfs/dbraw/zinc/29/39/51/412293951.db2.gz XZFAGWRYDDQXMH-SNVBAGLBSA-N 0 3 236.319 0.432 20 0 BCADHN CNCC(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC000662761867 412293977 /nfs/dbraw/zinc/29/39/77/412293977.db2.gz RLPAZDZLQWIBFA-SNVBAGLBSA-N 0 3 236.319 0.549 20 0 BCADHN C[C@H](N)C(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC000662761263 412294078 /nfs/dbraw/zinc/29/40/78/412294078.db2.gz OGKFAVOIJJUYDC-DTWKUNHWSA-N 0 3 236.319 0.677 20 0 BCADHN NC1(C(=O)Nc2cc[nH]n2)CC2(CCC2)C1 ZINC000638800006 412295743 /nfs/dbraw/zinc/29/57/43/412295743.db2.gz IPPVLTYZFWGUNA-UHFFFAOYSA-N 0 3 220.276 1.010 20 0 BCADHN NC1(C(=O)Nc2n[nH]c3cc(F)ccc32)CCC1 ZINC000335196626 412296618 /nfs/dbraw/zinc/29/66/18/412296618.db2.gz QPRARILPTYJSJP-UHFFFAOYSA-N 0 3 248.261 1.522 20 0 BCADHN C[C@@H]1NCCN(C(=O)Cc2cscn2)[C@H]1C ZINC000662771906 412296620 /nfs/dbraw/zinc/29/66/20/412296620.db2.gz BEFVPBIAKJKDKB-IUCAKERBSA-N 0 3 239.344 0.894 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCC[C@@H]1O ZINC000132812805 412298822 /nfs/dbraw/zinc/29/88/22/412298822.db2.gz KYJFODKDCXQFOV-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN O=C(Cc1cscn1)NC[C@@H]1C[C@H](F)CN1 ZINC000662780715 412299679 /nfs/dbraw/zinc/29/96/79/412299679.db2.gz TYQNUNDVPILZGD-YUMQZZPRSA-N 0 3 243.307 0.502 20 0 BCADHN N[C@@H](CC(F)F)C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000566066026 412301480 /nfs/dbraw/zinc/30/14/80/412301480.db2.gz WYWLBUGPNMYYTF-LURJTMIESA-N 0 3 244.245 1.208 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000335379776 412303397 /nfs/dbraw/zinc/30/33/97/412303397.db2.gz MZPCJINGGWFZIR-NKWVEPMBSA-N 0 3 248.311 1.424 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000335286344 412303724 /nfs/dbraw/zinc/30/37/24/412303724.db2.gz PZNNHCLJZHBVBT-JGVFFNPUSA-N 0 3 234.234 0.988 20 0 BCADHN N[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)C1CCC1 ZINC000570714540 412303822 /nfs/dbraw/zinc/30/38/22/412303822.db2.gz OHSKMJAPLCHZAF-NSHDSACASA-N 0 3 234.303 1.353 20 0 BCADHN COCCNCCNc1cc2c(nn1)CCC2 ZINC000643021470 412369700 /nfs/dbraw/zinc/36/97/00/412369700.db2.gz SFOKCRFFIPNVCG-UHFFFAOYSA-N 0 3 236.319 0.613 20 0 BCADHN CC(C)(N)C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000663011008 412369899 /nfs/dbraw/zinc/36/98/99/412369899.db2.gz VBULNCWPMZOXPA-JTQLQIEISA-N 0 3 236.262 0.606 20 0 BCADHN Cc1cc(NC(=O)NC[C@H]2CNCCO2)no1 ZINC000623058066 412370762 /nfs/dbraw/zinc/37/07/62/412370762.db2.gz PDKNBVZNNBXETI-MRVPVSSYSA-N 0 3 240.263 0.093 20 0 BCADHN CC12CC(C1)CN2C(=O)CCOC1CNC1 ZINC000663016401 412371878 /nfs/dbraw/zinc/37/18/78/412371878.db2.gz CMNFVAWKZFNHOL-UHFFFAOYSA-N 0 3 224.304 0.376 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CC2CC1(C)C2 ZINC000663017858 412372610 /nfs/dbraw/zinc/37/26/10/412372610.db2.gz RVQRJOXHGYGDEB-XEVUQIKYSA-N 0 3 208.305 0.995 20 0 BCADHN Cn1ccnc1[C@@H]1N(C(=O)CN)CC1(C)C ZINC000663023152 412373979 /nfs/dbraw/zinc/37/39/79/412373979.db2.gz RZDRLPSNCBQXLR-VIFPVBQESA-N 0 3 222.292 0.288 20 0 BCADHN O=c1cc(NC2CNC2)c2ncccc2[nH]1 ZINC000663239022 412398210 /nfs/dbraw/zinc/39/82/10/412398210.db2.gz JKNLBLYENXTACB-UHFFFAOYSA-N 0 3 216.244 0.719 20 0 BCADHN COc1ccnc(N2CC[C@@H](F)[C@H](N)C2)n1 ZINC000663240473 412399046 /nfs/dbraw/zinc/39/90/46/412399046.db2.gz IPSOBEAYXAZKME-HTQZYQBOSA-N 0 3 226.255 0.361 20 0 BCADHN N[C@@H]1CN(c2ncnc3n[nH]cc32)CC[C@H]1F ZINC000663276654 412406510 /nfs/dbraw/zinc/40/65/10/412406510.db2.gz HJHGVPDRFFYVIM-HTQZYQBOSA-N 0 3 236.254 0.228 20 0 BCADHN CCc1nc([C@@H](C)N[C@@H](C)CC(=O)NC)n[nH]1 ZINC000271562113 172002206 /nfs/dbraw/zinc/00/22/06/172002206.db2.gz UNQCEVCWGBWNIG-JGVFFNPUSA-N 0 3 239.323 0.542 20 0 BCADHN CCc1nc([C@H](C)N[C@H](C)CC(=O)NC)n[nH]1 ZINC000271562114 172007405 /nfs/dbraw/zinc/00/74/05/172007405.db2.gz UNQCEVCWGBWNIG-SFYZADRCSA-N 0 3 239.323 0.542 20 0 BCADHN CCc1ncc(CNC[C@]2(O)CCOC2)s1 ZINC000126194622 172019686 /nfs/dbraw/zinc/01/96/86/172019686.db2.gz DZSJCFMAHXEGQR-LLVKDONJSA-N 0 3 242.344 0.947 20 0 BCADHN CCc1nnc(NC(=O)[C@@H]2C[C@@H]2N)s1 ZINC000331457697 172057475 /nfs/dbraw/zinc/05/74/75/172057475.db2.gz HTSDLLQGLKFWAA-UHNVWZDZSA-N 0 3 212.278 0.386 20 0 BCADHN CCc1nnc(NC(=O)[C@]2(F)CCNC2)s1 ZINC000370792968 172059446 /nfs/dbraw/zinc/05/94/46/172059446.db2.gz FPFFSTCJMRPHAF-VIFPVBQESA-N 0 3 244.295 0.741 20 0 BCADHN CCc1nnsc1C(=O)N(C)CCN(C)C ZINC000267095879 172070125 /nfs/dbraw/zinc/07/01/25/172070125.db2.gz JOCHQJKYZAZOCN-UHFFFAOYSA-N 0 3 242.348 0.734 20 0 BCADHN CCc1noc(CC)c1CNC(=O)C1(N)CC1 ZINC000162961302 172083081 /nfs/dbraw/zinc/08/30/81/172083081.db2.gz IGAXKTVQCLXWAX-UHFFFAOYSA-N 0 3 237.303 0.907 20 0 BCADHN CCn1cc(CN2CC[C@H](CO)C2)cn1 ZINC000051887614 172164044 /nfs/dbraw/zinc/16/40/44/172164044.db2.gz MNSGBEWRXPCJST-JTQLQIEISA-N 0 3 209.293 0.717 20 0 BCADHN CCn1cc(CN2CC[C@](C)(C(N)=O)C2)cn1 ZINC000280416490 172165800 /nfs/dbraw/zinc/16/58/00/172165800.db2.gz YVYQHEVNCGCCSY-LBPRGKRZSA-N 0 3 236.319 0.600 20 0 BCADHN CCn1cc(CN2C[C@@H](C)[C@H](CO)C2)cn1 ZINC000191720862 172166444 /nfs/dbraw/zinc/16/64/44/172166444.db2.gz SSNZZTYDPGUTJV-PWSUYJOCSA-N 0 3 223.320 0.963 20 0 BCADHN CCn1cc(CNCCC[S@@](C)=O)cn1 ZINC000116919765 172170067 /nfs/dbraw/zinc/17/00/67/172170067.db2.gz KCADZXPELFJULD-HNNXBMFYSA-N 0 3 229.349 0.761 20 0 BCADHN CCn1cc(NC(=O)CNCC2CC2)cn1 ZINC000037478350 172179818 /nfs/dbraw/zinc/17/98/18/172179818.db2.gz ANDMBFYABZGPOB-UHFFFAOYSA-N 0 3 222.292 0.841 20 0 BCADHN CCn1cc(NC(=O)[C@H](N)CC(F)F)cn1 ZINC000336660539 172182234 /nfs/dbraw/zinc/18/22/34/172182234.db2.gz NPPYVZOFPAFMRU-SSDOTTSWSA-N 0 3 232.234 0.824 20 0 BCADHN CCn1cc(NC(=O)[C@@H](N)CC(F)F)cn1 ZINC000336660543 172182627 /nfs/dbraw/zinc/18/26/27/172182627.db2.gz NPPYVZOFPAFMRU-ZETCQYMHSA-N 0 3 232.234 0.824 20 0 BCADHN CCn1cc([C@@H](C)NC[C@@]2(O)CCOC2)cn1 ZINC000181731445 172193379 /nfs/dbraw/zinc/19/33/79/172193379.db2.gz FGIRAMJGGFXDOI-PWSUYJOCSA-N 0 3 239.319 0.705 20 0 BCADHN CCn1cc([C@@H](C)N[C@@H](C)CC(N)=O)cn1 ZINC000160666102 172195002 /nfs/dbraw/zinc/19/50/02/172195002.db2.gz YFUOPJVBPMLSSY-DTWKUNHWSA-N 0 3 224.308 0.818 20 0 BCADHN CCn1cc([C@H](C)NCCn2cncn2)cn1 ZINC000268822425 172196323 /nfs/dbraw/zinc/19/63/23/172196323.db2.gz MACJLXKGEWYOQB-JTQLQIEISA-N 0 3 234.307 0.845 20 0 BCADHN CCn1cc([C@H](C)NCCCOCCO)cn1 ZINC000180237081 172196628 /nfs/dbraw/zinc/19/66/28/172196628.db2.gz VNTLVHVOZLWPIM-NSHDSACASA-N 0 3 241.335 0.953 20 0 BCADHN CCn1cc([C@H](C)N[C@H]2CCC(=O)NC2)cn1 ZINC000104343481 172197490 /nfs/dbraw/zinc/19/74/90/172197490.db2.gz PYSNNSDWPLBPIY-ONGXEEELSA-N 0 3 236.319 0.832 20 0 BCADHN CCn1cc([C@H](C)NC[C@H](O)COC)cn1 ZINC000070589441 172198097 /nfs/dbraw/zinc/19/80/97/172198097.db2.gz AALZUSAQTMDZIM-ONGXEEELSA-N 0 3 227.308 0.561 20 0 BCADHN CCn1ncc2c1CCC[C@@H]2NC(=O)[C@@H](C)N ZINC000368499699 172256603 /nfs/dbraw/zinc/25/66/03/172256603.db2.gz RSAJAFIFAKWIJV-SCZZXKLOSA-N 0 3 236.319 0.744 20 0 BCADHN CCn1nccc1CCN(C)CCCO ZINC000283299902 172259709 /nfs/dbraw/zinc/25/97/09/172259709.db2.gz XIICRLSQJKEKQS-UHFFFAOYSA-N 0 3 211.309 0.760 20 0 BCADHN CCn1nccc1CCN1CCC[C@H]1CO ZINC000276345553 172260222 /nfs/dbraw/zinc/26/02/22/172260222.db2.gz VBEUECCGBMDJLJ-LBPRGKRZSA-N 0 3 223.320 0.902 20 0 BCADHN CCn1nccc1CN1C[C@H](C)[C@H](CO)C1 ZINC000361663839 172268158 /nfs/dbraw/zinc/26/81/58/172268158.db2.gz XIEWIGAITROBSQ-QWRGUYRKSA-N 0 3 223.320 0.963 20 0 BCADHN CCn1nccc1CNCCN(C)CCOC 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20 0 BCADHN COCCN[C@H](C(=O)N1CCOCC1)C(C)C ZINC000180059861 174338945 /nfs/dbraw/zinc/33/89/45/174338945.db2.gz MGQHBOLHNVDBJM-NSHDSACASA-N 0 3 244.335 0.106 20 0 BCADHN COCCN[C@H](COC)[C@H]1CCCO1 ZINC000308589297 174340433 /nfs/dbraw/zinc/34/04/33/174340433.db2.gz JPAPMPRWENNDNV-NXEZZACHSA-N 0 3 203.282 0.416 20 0 BCADHN COCCOCC(=O)NCCN1CCCCC1 ZINC000046855304 174346464 /nfs/dbraw/zinc/34/64/64/174346464.db2.gz XWKJOJSSKGTHRV-UHFFFAOYSA-N 0 3 244.335 0.252 20 0 BCADHN COCCOCCCNC(=O)[C@@H](N)C(C)C ZINC000040829894 174349609 /nfs/dbraw/zinc/34/96/09/174349609.db2.gz IQQOEVZDWOPBRN-JTQLQIEISA-N 0 3 232.324 0.139 20 0 BCADHN COCCOCCCNCc1ccnn1C ZINC000036901282 174350518 /nfs/dbraw/zinc/35/05/18/174350518.db2.gz BUCZCHINQQWSRW-UHFFFAOYSA-N 0 3 227.308 0.563 20 0 BCADHN COCCOCCN(C)C[C@H](C)OC ZINC000336678077 174351598 /nfs/dbraw/zinc/35/15/98/174351598.db2.gz DUDJFJWQLSYRMJ-JTQLQIEISA-N 0 3 205.298 0.616 20 0 BCADHN COCCOCCN(C)C[C@H](O)C(C)(C)C ZINC000309328088 174351665 /nfs/dbraw/zinc/35/16/65/174351665.db2.gz RPQKVBSMYKKXBY-NSHDSACASA-N 0 3 233.352 0.988 20 0 BCADHN COCCOCCN(C)CCC(C)(C)O ZINC000336711633 174351775 /nfs/dbraw/zinc/35/17/75/174351775.db2.gz UMEMWEVYXGMUCF-UHFFFAOYSA-N 0 3 219.325 0.742 20 0 BCADHN COCCOCCN(C)C[C@@H](O)C(C)(C)C ZINC000309328087 174352616 /nfs/dbraw/zinc/35/26/16/174352616.db2.gz RPQKVBSMYKKXBY-LLVKDONJSA-N 0 3 233.352 0.988 20 0 BCADHN COCCOCCN1CCC[C@H](OCCO)C1 ZINC000352449797 174353546 /nfs/dbraw/zinc/35/35/46/174353546.db2.gz ORZDKMOPRBHUKH-LBPRGKRZSA-N 0 3 247.335 0.123 20 0 BCADHN COCCOCCN1CC[C@@H](O)C(C)(C)C1 ZINC000303798241 174354794 /nfs/dbraw/zinc/35/47/94/174354794.db2.gz UERIPWQEILREGE-LLVKDONJSA-N 0 3 231.336 0.742 20 0 BCADHN COCCOCCN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339617347 174355126 /nfs/dbraw/zinc/35/51/26/174355126.db2.gz SCDMBJRFMLUGQA-TXEJJXNPSA-N 0 3 230.352 0.674 20 0 BCADHN COCCOCCNCc1ccnn1C ZINC000044694147 174358440 /nfs/dbraw/zinc/35/84/40/174358440.db2.gz NCGDXHDNIUUNQO-UHFFFAOYSA-N 0 3 213.281 0.173 20 0 BCADHN COCCOCCNCc1cnc(C)nc1 ZINC000309945023 174358635 /nfs/dbraw/zinc/35/86/35/174358635.db2.gz DAOGBTMDBNEJER-UHFFFAOYSA-N 0 3 225.292 0.538 20 0 BCADHN COCCOC[C@@H](C)NC(=O)[C@@H](N)C(C)C ZINC000353726052 174361363 /nfs/dbraw/zinc/36/13/63/174361363.db2.gz RKEZLPNWTXYQHJ-ZJUUUORDSA-N 0 3 232.324 0.137 20 0 BCADHN COCCO[C@@H]1CCN(CCn2ccnc2)C1 ZINC000189709691 174365104 /nfs/dbraw/zinc/36/51/04/174365104.db2.gz HLAFLYDVSKRPEQ-GFCCVEGCSA-N 0 3 239.319 0.620 20 0 BCADHN COCCO[C@H]1CCCN(CC[C@H](C)O)C1 ZINC000336687896 174366274 /nfs/dbraw/zinc/36/62/74/174366274.db2.gz XXHFUPDPVRECLV-RYUDHWBXSA-N 0 3 231.336 0.885 20 0 BCADHN COCCO[C@H]1CCN(CCC[C@H](C)O)C1 ZINC000355282277 174366609 /nfs/dbraw/zinc/36/66/09/174366609.db2.gz RNLQLWXVBADNMR-RYUDHWBXSA-N 0 3 231.336 0.885 20 0 BCADHN COCCOc1ccc(NC(=O)[C@@H](C)N)cc1 ZINC000033466416 174368333 /nfs/dbraw/zinc/36/83/33/174368333.db2.gz XVNUFSPPXSXTBV-SECBINFHSA-N 0 3 238.287 0.998 20 0 BCADHN COCCSCCCN(C)[C@H]1COC[C@H]1O ZINC000352814201 174373790 /nfs/dbraw/zinc/37/37/90/174373790.db2.gz GQZJCXABWVFXNN-WDEREUQCSA-N 0 3 249.376 0.448 20 0 BCADHN COCC[C@@H](C)N1CCC(O)(C(=O)OC)CC1 ZINC000354831067 174377789 /nfs/dbraw/zinc/37/77/89/174377789.db2.gz KYKZPBBQLHLIAN-SNVBAGLBSA-N 0 3 245.319 0.411 20 0 BCADHN COCC[C@@H](C)NC(=O)[C@@H](N)CCSC ZINC000081710502 174380944 /nfs/dbraw/zinc/38/09/44/174380944.db2.gz DHUXJGOJUYUDJX-BDAKNGLRSA-N 0 3 234.365 0.608 20 0 BCADHN COCC[C@@H](CO)[NH2+]Cc1nc(C)ccc1[O-] ZINC000305949867 174389285 /nfs/dbraw/zinc/38/92/85/174389285.db2.gz UIIKPMBNOQOISK-JTQLQIEISA-N 0 3 240.303 0.583 20 0 BCADHN COCC[C@@H](CO)NCc1cccc2nccn21 ZINC000282321727 174389450 /nfs/dbraw/zinc/38/94/50/174389450.db2.gz TVKGLSZXDOTTGR-NSHDSACASA-N 0 3 249.314 0.821 20 0 BCADHN COCC[C@@H](COC)NCc1cnc(C)nc1 ZINC000353088197 174391752 /nfs/dbraw/zinc/39/17/52/174391752.db2.gz CEJBTXLWCUTHJX-LBPRGKRZSA-N 0 3 239.319 0.926 20 0 BCADHN COCC[C@@H](NC[C@@H](O)COC)c1ccco1 ZINC000273219329 174394165 /nfs/dbraw/zinc/39/41/65/174394165.db2.gz CWDMXEGAZUEVNC-GHMZBOCLSA-N 0 3 243.303 0.954 20 0 BCADHN COCC[C@@](C)(O)CNCc1c(C)cnn1C ZINC000286317357 174399652 /nfs/dbraw/zinc/39/96/52/174399652.db2.gz DFQDROZZOWSDRM-GFCCVEGCSA-N 0 3 241.335 0.606 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@@H](N)C(C)C ZINC000041679369 174441106 /nfs/dbraw/zinc/44/11/06/174441106.db2.gz LEKQBQGGAQKLRL-IUCAKERBSA-N 0 3 202.298 0.368 20 0 BCADHN COC[C@H](C)NC[C@](C)(O)C(F)(F)F ZINC000308610316 174548404 /nfs/dbraw/zinc/54/84/04/174548404.db2.gz LQNOMDUQAFADDV-BQBZGAKWSA-N 0 3 215.215 0.924 20 0 BCADHN COC[C@H](O)CN[C@H]1CCc2c1cccc2O ZINC000071263912 174600146 /nfs/dbraw/zinc/60/01/46/174600146.db2.gz LRYMBPJYFFIWLI-SKDRFNHKSA-N 0 3 237.299 0.976 20 0 BCADHN COC[C@H]1CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000081062090 174604372 /nfs/dbraw/zinc/60/43/72/174604372.db2.gz ROTSKXNSBATLKR-VHSXEESVSA-N 0 3 214.309 0.465 20 0 BCADHN CO[C@@H](C)[C@@H](C)NC(=O)N(C)CCN(C)C ZINC000360681106 174710063 /nfs/dbraw/zinc/71/00/63/174710063.db2.gz IFNIOISDFIAYJS-ZJUUUORDSA-N 0 3 231.340 0.613 20 0 BCADHN COc1ccc(C(=O)N(C)CC[NH3+])c([O-])c1 ZINC000041055228 175055265 /nfs/dbraw/zinc/05/52/65/175055265.db2.gz QDXIIJABHRDDKB-UHFFFAOYSA-N 0 3 224.260 0.432 20 0 BCADHN COc1ccc(C(=O)N[C@@H](C)CN(C)C)cn1 ZINC000286940063 175061807 /nfs/dbraw/zinc/06/18/07/175061807.db2.gz JUBPZWOHSJFCGS-VIFPVBQESA-N 0 3 237.303 0.770 20 0 BCADHN COc1ccc(CN2CC[C@@H](CC(N)=O)C2)cn1 ZINC000368572157 175102646 /nfs/dbraw/zinc/10/26/46/175102646.db2.gz GDUMBCIHVRTTSS-JTQLQIEISA-N 0 3 249.314 0.788 20 0 BCADHN COc1ccc(CN[C@@H]2COC[C@@H]2O)cc1 ZINC000037876782 175110059 /nfs/dbraw/zinc/11/00/59/175110059.db2.gz JQEDYYCHIYJNCI-NEPJUHHUSA-N 0 3 223.272 0.545 20 0 BCADHN COc1ccc(NC(=O)[C@H](C)N)c(OC)c1 ZINC000011957749 175146264 /nfs/dbraw/zinc/14/62/64/175146264.db2.gz DTXBPKFBUYBVCR-ZETCQYMHSA-N 0 3 224.260 0.990 20 0 BCADHN COc1ccc2c(c1)OCC[C@@H]2NC(=O)CN ZINC000378173999 175212733 /nfs/dbraw/zinc/21/27/33/175212733.db2.gz IBAZMFFFEITJOT-JTQLQIEISA-N 0 3 236.271 0.594 20 0 BCADHN COc1cccc(CNC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000050459479 175262092 /nfs/dbraw/zinc/26/20/92/175262092.db2.gz PWUGNFPPWZCYCY-MNOVXSKESA-N 0 3 220.272 0.659 20 0 BCADHN COc1cccc(CNC[C@@H](C)CO)n1 ZINC000083385686 175264822 /nfs/dbraw/zinc/26/48/22/175264822.db2.gz CDGGAHRZVKSNPY-SECBINFHSA-N 0 3 210.277 0.808 20 0 BCADHN COc1cccc(OCCCNC(=O)CN)c1 ZINC000041280207 175283341 /nfs/dbraw/zinc/28/33/41/175283341.db2.gz YVVOEODCIWOECK-UHFFFAOYSA-N 0 3 238.287 0.539 20 0 BCADHN COc1cccc(O[C@H](C)CNC(=O)CN)c1 ZINC000083365717 175284871 /nfs/dbraw/zinc/28/48/71/175284871.db2.gz BGDJCISCIYYDOP-SECBINFHSA-N 0 3 238.287 0.537 20 0 BCADHN COc1cccc([C@@H](O)CNC(=O)[C@H](C)N)c1 ZINC000157363169 175289172 /nfs/dbraw/zinc/28/91/72/175289172.db2.gz BVUBERQGLSXHQL-KWQFWETISA-N 0 3 238.287 0.192 20 0 BCADHN COc1cccc([C@H](O)CNC(=O)[C@H](C)N)c1 ZINC000157363493 175295301 /nfs/dbraw/zinc/29/53/01/175295301.db2.gz BVUBERQGLSXHQL-GZMMTYOYSA-N 0 3 238.287 0.192 20 0 BCADHN COc1ccccc1-n1nccc1CNCCO ZINC000280850088 175313229 /nfs/dbraw/zinc/31/32/29/175313229.db2.gz CMNREGYIJUDVCP-UHFFFAOYSA-N 0 3 247.298 0.963 20 0 BCADHN COc1ccccc1OCCNC(=O)[C@@H](C)N ZINC000041280195 175340677 /nfs/dbraw/zinc/34/06/77/175340677.db2.gz GVTIAZIKJAYPFF-SECBINFHSA-N 0 3 238.287 0.537 20 0 BCADHN COc1ccnc(CN2CC[C@@](C)(C(N)=O)C2)c1 ZINC000280843867 175359921 /nfs/dbraw/zinc/35/99/21/175359921.db2.gz XLNLFAHYLYYUMM-CYBMUJFWSA-N 0 3 249.314 0.788 20 0 BCADHN COc1ccnc(NC[C@@H](C)N(C)C)n1 ZINC000162320961 175364582 /nfs/dbraw/zinc/36/45/82/175364582.db2.gz PUOUYPKGTTYQOK-MRVPVSSYSA-N 0 3 210.281 0.847 20 0 BCADHN COc1ccsc1CNC[C@H](O)CO ZINC000276792260 175378784 /nfs/dbraw/zinc/37/87/84/175378784.db2.gz RFHKCNIPBPBDJH-ZETCQYMHSA-N 0 3 217.290 0.200 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000353212596 175506814 /nfs/dbraw/zinc/50/68/14/175506814.db2.gz MAAPUCXOTLJAPK-GUBZILKMSA-N 0 3 248.392 0.590 20 0 BCADHN CSCC[C@H](N)C(=O)Nc1ccn(C)n1 ZINC000040463993 175507750 /nfs/dbraw/zinc/50/77/50/175507750.db2.gz GUQUXMJLBAGFQL-ZETCQYMHSA-N 0 3 228.321 0.439 20 0 BCADHN CS[C@@H]1CC[C@H]1N[C@@H](C)CS(C)(=O)=O ZINC000308738039 175551589 /nfs/dbraw/zinc/55/15/89/175551589.db2.gz MTFKSVWOQDPJDV-DJLDLDEBSA-N 0 3 237.390 0.903 20 0 BCADHN C[C@@H](N[C@@H](C)CC(N)=O)c1ccncc1 ZINC000121622856 175654026 /nfs/dbraw/zinc/65/40/26/175654026.db2.gz VZRXMYCNUCRWHC-DTWKUNHWSA-N 0 3 207.277 0.996 20 0 BCADHN CCN1CC[C@H](N[C@H](C)[C@H](C)OC)C1=O ZINC000309044716 487631194 /nfs/dbraw/zinc/63/11/94/487631194.db2.gz NPAYZVRIOFLRIT-UTLUCORTSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@@H](CNC(=O)C[C@@](C)(O)C1CC1)N(C)C ZINC000339386684 175723469 /nfs/dbraw/zinc/72/34/69/175723469.db2.gz XWBXFRDHMOLLCT-JOYOIKCWSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H](N)C(=O)N(CC(N)=O)[C@H](C)c1ccccc1 ZINC000119209047 175795535 /nfs/dbraw/zinc/79/55/35/175795535.db2.gz KUTHOLHEFIEBKI-NXEZZACHSA-N 0 3 249.314 0.409 20 0 BCADHN C[C@@H](N)C(=O)NCC[C@@H](O)c1ccccc1 ZINC000161945933 175798003 /nfs/dbraw/zinc/79/80/03/175798003.db2.gz KKFUEVOLFGRZFQ-MWLCHTKSSA-N 0 3 222.288 0.574 20 0 BCADHN C[C@@H](NC(=O)CN1CCNCC1)c1ccccn1 ZINC000035695476 175831694 /nfs/dbraw/zinc/83/16/94/175831694.db2.gz CCVOAALSPPRAOO-LLVKDONJSA-N 0 3 248.330 0.164 20 0 BCADHN C[C@@H](NC(=O)[C@H](N)C(C)(C)C)c1ncon1 ZINC000125485967 175844959 /nfs/dbraw/zinc/84/49/59/175844959.db2.gz CAECOZUZODYBFN-RQJHMYQMSA-N 0 3 226.280 0.620 20 0 BCADHN C[C@@H](c1ccccc1)N1C[C@@H](O)[C@@H](O)C1 ZINC000086331884 176021592 /nfs/dbraw/zinc/02/15/92/176021592.db2.gz WHJCPLFLBSCWIC-ZMLRMANQSA-N 0 3 207.273 0.785 20 0 BCADHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CO)C1 ZINC000331329302 176022464 /nfs/dbraw/zinc/02/24/64/176022464.db2.gz QLFNCEWXMXBIGD-WCQYABFASA-N 0 3 248.326 0.930 20 0 BCADHN C[C@@H](c1ccccc1)[C@@H](NCCO)C(N)=O ZINC000292123571 176023312 /nfs/dbraw/zinc/02/33/12/176023312.db2.gz IDTMZMQHYLLCCT-GXSJLCMTSA-N 0 3 222.288 0.226 20 0 BCADHN C[C@@H](c1ccccn1)N1C[C@@H](O)C[C@H]1CO ZINC000186522534 176027279 /nfs/dbraw/zinc/02/72/79/176027279.db2.gz PKXCZIYNUURWJV-DCAQKATOSA-N 0 3 222.288 0.570 20 0 BCADHN C[C@@H]1CC(=O)NCCN1C[C@H]1CCCCO1 ZINC000371196914 176049272 /nfs/dbraw/zinc/04/92/72/176049272.db2.gz GQOSSTJRWNRQDL-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CC(=O)NCCN1C[C@@H]1CCC=CO1 ZINC000377882393 176049516 /nfs/dbraw/zinc/04/95/16/176049516.db2.gz FDDDJLOHYNYABM-MNOVXSKESA-N 0 3 224.304 0.890 20 0 BCADHN C[C@@H]1CCC(C)(C)N1CCNS(C)(=O)=O ZINC000336304240 176060966 /nfs/dbraw/zinc/06/09/66/176060966.db2.gz DZXKWRDIHFDNBR-SECBINFHSA-N 0 3 234.365 0.799 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)c2cnc[nH]2)C1 ZINC000263664185 176098073 /nfs/dbraw/zinc/09/80/73/176098073.db2.gz JHFUKPVLRZWBRV-SNVBAGLBSA-N 0 3 236.319 0.871 20 0 BCADHN C[C@@H]1CCCN(CCN2CCCC2=O)[C@H]1CO ZINC000305663083 176098864 /nfs/dbraw/zinc/09/88/64/176098864.db2.gz GYOAFDNHLNGVAO-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H]1CCCN(CCN2C(=O)CCC2=O)C1 ZINC000123031946 176098874 /nfs/dbraw/zinc/09/88/74/176098874.db2.gz FREKQCOGXOOCDX-SNVBAGLBSA-N 0 3 224.304 0.867 20 0 BCADHN C[C@H](CNC(=O)CO)N1CCC[C@@H](C)C1 ZINC000339432948 176103497 /nfs/dbraw/zinc/10/34/97/176103497.db2.gz GHCLWMNQJORRKF-NXEZZACHSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H]1CCC[C@@H](N(C)C(=O)C(=O)NCCN)C1 ZINC000042491779 176119938 /nfs/dbraw/zinc/11/99/38/176119938.db2.gz DHXQHDNZUBFHML-NXEZZACHSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@@H]1CCC[C@H](NC(=O)C(=O)NCCN)[C@@H]1C ZINC000037243216 176141588 /nfs/dbraw/zinc/14/15/88/176141588.db2.gz QALBCHXIRJESMO-BBBLOLIVSA-N 0 3 241.335 0.002 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)c1cccc(=O)[nH]1 ZINC000338387101 176167488 /nfs/dbraw/zinc/16/74/88/176167488.db2.gz XFHTYTUYYPERCE-SNVBAGLBSA-N 0 3 249.314 0.953 20 0 BCADHN CC[C@H]1CO[C@H](C)CN1C(=O)[C@H](C)NC ZINC000309058252 487633067 /nfs/dbraw/zinc/63/30/67/487633067.db2.gz UNLZDDLINLHMAM-UTLUCORTSA-N 0 3 214.309 0.620 20 0 BCADHN 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/nfs/dbraw/zinc/35/93/09/177359309.db2.gz PNHAVEKKZQXUKE-IUCAKERBSA-N 0 3 220.338 0.266 20 0 BCADHN C[C@H]1C[C@H](NC(=O)Cn2cccn2)CN1C1CC1 ZINC000177156573 177367510 /nfs/dbraw/zinc/36/75/10/177367510.db2.gz LZTJACBABHGTNS-QWRGUYRKSA-N 0 3 248.330 0.625 20 0 BCADHN C[C@H](CO)NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341199119 177367934 /nfs/dbraw/zinc/36/79/34/177367934.db2.gz KKWDNDDXYYDUPW-KXUCPTDWSA-N 0 3 229.324 0.149 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cncnc2)CN1C1CC1 ZINC000273861471 177368096 /nfs/dbraw/zinc/36/80/96/177368096.db2.gz USYJWIOITMXLBC-ONGXEEELSA-N 0 3 246.314 0.832 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1C ZINC000235728185 177368134 /nfs/dbraw/zinc/36/81/34/177368134.db2.gz INRGIUUCNRHXPM-VHSXEESVSA-N 0 3 249.314 0.587 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cnn(C)n2)CN1C1CC1 ZINC000284547505 177368366 /nfs/dbraw/zinc/36/83/66/177368366.db2.gz BFEPXPKYDJKSQY-IUCAKERBSA-N 0 3 249.318 0.170 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2ccc[nH]c2=O)CCN1C ZINC000357406194 177368480 /nfs/dbraw/zinc/36/84/80/177368480.db2.gz CNWPXDYVIGNBCM-VHSXEESVSA-N 0 3 249.314 1.000 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccc(=O)[nH]c2)[C@@H]1C ZINC000262741814 177396419 /nfs/dbraw/zinc/39/64/19/177396419.db2.gz DUBSKJQNVYRGJM-RKDXNWHRSA-N 0 3 235.287 0.610 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccncc2)[C@@H]1C ZINC000071521337 177396670 /nfs/dbraw/zinc/39/66/70/177396670.db2.gz OBXRFQXQQROACM-NXEZZACHSA-N 0 3 219.288 0.904 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cc[nH]n2)[C@@H]1C ZINC000261543393 177396718 /nfs/dbraw/zinc/39/67/18/177396718.db2.gz HRAQSXKHMXUPAB-HTQZYQBOSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccn[nH]2)[C@@H]1C ZINC000261543393 177396719 /nfs/dbraw/zinc/39/67/19/177396719.db2.gz HRAQSXKHMXUPAB-HTQZYQBOSA-N 0 3 208.265 0.232 20 0 BCADHN Cc1c(CC(=O)NC[C@@H](C)N(C)C)cnn1C ZINC000292172187 177578610 /nfs/dbraw/zinc/57/86/10/177578610.db2.gz GOZCYGSUCJADGL-SECBINFHSA-N 0 3 238.335 0.337 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000167463682 487640736 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/nfs/dbraw/zinc/64/46/94/487644694.db2.gz JRKCCGBXXKDLLL-WDEREUQCSA-N 0 3 227.352 0.489 20 0 BCADHN CC(C)NCC(=O)N[C@@H](C)CCCO ZINC000087360049 487647707 /nfs/dbraw/zinc/64/77/07/487647707.db2.gz RNIAUSMDPMGIQT-VIFPVBQESA-N 0 3 202.298 0.262 20 0 BCADHN CN(C)C/C=C\C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000492512039 226011428 /nfs/dbraw/zinc/01/14/28/226011428.db2.gz XHXIKOZFXDYNQV-PDBFFVIBSA-N 0 3 238.331 0.334 20 0 BCADHN Cc1c(NC(=O)/C=C\CN(C)C)cnn1C ZINC000492141031 225939505 /nfs/dbraw/zinc/93/95/05/225939505.db2.gz RLGRBNGXDRPFLY-WAYWQWQTSA-N 0 3 222.292 0.785 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC(C)(CO)CC1 ZINC000492601195 226025271 /nfs/dbraw/zinc/02/52/71/226025271.db2.gz CIYTVLAOGYBDGX-PLNGDYQASA-N 0 3 240.347 0.725 20 0 BCADHN CN(C)C/C=C\C(=O)NCC1(CO)CCCC1 ZINC000492654645 226034037 /nfs/dbraw/zinc/03/40/37/226034037.db2.gz WDICXLFLEKQVTP-WAYWQWQTSA-N 0 3 240.347 0.773 20 0 BCADHN Cc1nn(C)cc1CNC(=O)/C=C\CN(C)C ZINC000492650422 226034214 /nfs/dbraw/zinc/03/42/14/226034214.db2.gz QPCULUKMWOJOBK-WAYWQWQTSA-N 0 3 236.319 0.463 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCO[C@H](C2CC2)C1 ZINC000492689838 226038694 /nfs/dbraw/zinc/03/86/94/226038694.db2.gz ODJOUWXLOQXSMW-MVZIDQBPSA-N 0 3 238.331 0.742 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)c1ccn(C)n1 ZINC000492689006 226039064 /nfs/dbraw/zinc/03/90/64/226039064.db2.gz RLUXTEUZLVXSAC-WAYWQWQTSA-N 0 3 222.292 0.501 20 0 BCADHN CN(C)C/C=C\C(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000492702635 226040309 /nfs/dbraw/zinc/04/03/09/226040309.db2.gz HIOCRXYMAJCTJY-WWQCOOJYSA-N 0 3 226.320 0.334 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000492754349 226045850 /nfs/dbraw/zinc/04/58/50/226045850.db2.gz VESSEFPCTHEBBN-KWMOZEJZSA-N 0 3 226.320 0.380 20 0 BCADHN C[C@@H](CO)CCCNC(=O)/C=C\CN(C)C ZINC000492827386 226061319 /nfs/dbraw/zinc/06/13/19/226061319.db2.gz WYZAXHTVTPLIEW-JPVGGKMYSA-N 0 3 228.336 0.629 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)[C@H]1CCCOC1 ZINC000492832465 226063261 /nfs/dbraw/zinc/06/32/61/226063261.db2.gz GAXUBRZJCLKKLV-IBHLPDHGSA-N 0 3 226.320 0.742 20 0 BCADHN C[NH+](C)C/C=C\C(=O)[N-]OCCC1CC1 ZINC000492851517 226066473 /nfs/dbraw/zinc/06/64/73/226066473.db2.gz IXBGBPWAEDWUDU-ARJAWSKDSA-N 0 3 212.293 0.952 20 0 BCADHN CN(C)C/C=C\C(=O)NOCCC1CC1 ZINC000492851517 226066475 /nfs/dbraw/zinc/06/64/75/226066475.db2.gz IXBGBPWAEDWUDU-ARJAWSKDSA-N 0 3 212.293 0.952 20 0 BCADHN C[NH+](C)C/C=C\C(=O)[N-]OC1CCOCC1 ZINC000492949032 226089490 /nfs/dbraw/zinc/08/94/90/226089490.db2.gz JBCDXLMWWQBTPS-ARJAWSKDSA-N 0 3 228.292 0.331 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@H](O)c1ccco1 ZINC000492960216 226092309 /nfs/dbraw/zinc/09/23/09/226092309.db2.gz WXHLXEBZHCYKEF-YVGDHZEHSA-N 0 3 238.287 0.547 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCO[C@H](CF)C1 ZINC000493050848 226106223 /nfs/dbraw/zinc/10/62/23/226106223.db2.gz PAQXPDUOPAGXBW-UMBAGQNISA-N 0 3 230.283 0.301 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCN(C)C(C)(C)C1 ZINC000493025394 226106922 /nfs/dbraw/zinc/10/69/22/226106922.db2.gz OPZRNBXRVFNHME-VOTSOKGWSA-N 0 3 239.363 0.657 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000493024984 226107518 /nfs/dbraw/zinc/10/75/18/226107518.db2.gz NZJDHZZOXYZNLR-PRTUSXBOSA-N 0 3 238.331 0.884 20 0 BCADHN CN(C)CCN(C)C(=O)/C=C/c1ncc[nH]1 ZINC000493117810 226130827 /nfs/dbraw/zinc/13/08/27/226130827.db2.gz DIZLYZIRENYPOD-SNAWJCMRSA-N 0 3 222.292 0.443 20 0 BCADHN CN(C)C/C=C\C(=O)NC1(CCO)CC1 ZINC000493256440 226167657 /nfs/dbraw/zinc/16/76/57/226167657.db2.gz FTNNSOCCJSGYQG-ARJAWSKDSA-N 0 3 212.293 0.135 20 0 BCADHN COCCN1CCC2(COC(=O)N2)CC1 ZINC000495291035 226280466 /nfs/dbraw/zinc/28/04/66/226280466.db2.gz DGKFTNZSYWSILV-UHFFFAOYSA-N 0 3 214.265 0.207 20 0 BCADHN COCC1(C)CN(C(=O)/C=C/CN(C)C)C1 ZINC000493392749 226204289 /nfs/dbraw/zinc/20/42/89/226204289.db2.gz BHDVUAVJWRFWGA-AATRIKPKSA-N 0 3 226.320 0.599 20 0 BCADHN O=C(/C=C\C1CCCC1)NC[C@@H]1CNCCO1 ZINC000493584691 226244572 /nfs/dbraw/zinc/24/45/72/226244572.db2.gz NESMWGWWBFILRT-FJOGCWAESA-N 0 3 238.331 0.837 20 0 BCADHN COCCCO[N-]C(=O)/C=C\C[NH+](C)C ZINC000493608929 226245828 /nfs/dbraw/zinc/24/58/28/226245828.db2.gz GIDOXMCXCONTLJ-XQRVVYSFSA-N 0 3 216.281 0.189 20 0 BCADHN COCCCONC(=O)/C=C\CN(C)C ZINC000493608929 226245829 /nfs/dbraw/zinc/24/58/29/226245829.db2.gz GIDOXMCXCONTLJ-XQRVVYSFSA-N 0 3 216.281 0.189 20 0 BCADHN C[C@@H]1COCC[C@H]1NC(=O)/C=C\CN(C)C ZINC000493621684 226246508 /nfs/dbraw/zinc/24/65/08/226246508.db2.gz LEZQQSMRIFBBCM-WQMVXFAESA-N 0 3 226.320 0.645 20 0 BCADHN CN(C)CC(C)(C)NC(=O)/C=C/c1ncc[nH]1 ZINC000493655659 226247794 /nfs/dbraw/zinc/24/77/94/226247794.db2.gz GTHGLHUCPQLCNT-AATRIKPKSA-N 0 3 236.319 0.879 20 0 BCADHN CN(C)C/C=C\C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000493680349 226249002 /nfs/dbraw/zinc/24/90/02/226249002.db2.gz YCTHRBAWPMKYSX-BKGLOODYSA-N 0 3 238.331 0.742 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000493818328 226255539 /nfs/dbraw/zinc/25/55/39/226255539.db2.gz SMQRFLDNOXOQDC-PZXPMTENSA-N 0 3 212.293 0.134 20 0 BCADHN C[NH+](C)C/C=C/C(=O)[N-]OC/C=C\Cl ZINC000493826501 226256086 /nfs/dbraw/zinc/25/60/86/226256086.db2.gz RJAZUGSXMMTQPM-UZNMPDEFSA-N 0 3 218.684 0.905 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC[C@@H](CO)CC1 ZINC000493824995 226256150 /nfs/dbraw/zinc/25/61/50/226256150.db2.gz PKHKXIBXVIDWAJ-TXNVCOODSA-N 0 3 240.347 0.725 20 0 BCADHN CN(C)C/C=C/C(=O)NCc1cccc(CO)n1 ZINC000493855866 226257408 /nfs/dbraw/zinc/25/74/08/226257408.db2.gz YUTVQEBTAMDEEY-QPJJXVBHSA-N 0 3 249.314 0.308 20 0 BCADHN COCC[C@@H](C)N1CCN2C(=O)OCC[C@H]2C1 ZINC000494086845 226260745 /nfs/dbraw/zinc/26/07/45/226260745.db2.gz QTBBTHKASSXIEC-MNOVXSKESA-N 0 3 242.319 0.938 20 0 BCADHN C[C@H](O)CN1CCN(CCC2CC2)CC1 ZINC000494410328 226264723 /nfs/dbraw/zinc/26/47/23/226264723.db2.gz JTIIWDXZFNVNHK-NSHDSACASA-N 0 3 212.337 0.785 20 0 BCADHN Cn1cc(CN[C@H]2CCn3ccnc3C2)cn1 ZINC000494424345 226265084 /nfs/dbraw/zinc/26/50/84/226265084.db2.gz IBNMJKGSENPGKV-NSHDSACASA-N 0 3 231.303 0.721 20 0 BCADHN C[C@H](NC[C@H](O)Cn1cccn1)c1cn[nH]c1 ZINC000494686451 226268156 /nfs/dbraw/zinc/26/81/56/226268156.db2.gz RJRGOMXSBVJHEC-ONGXEEELSA-N 0 3 235.291 0.318 20 0 BCADHN Cc1nccn1CCN[C@H](CO)c1cnn(C)c1 ZINC000494813691 226269942 /nfs/dbraw/zinc/26/99/42/226269942.db2.gz YCOBCBPENMCZCX-GFCCVEGCSA-N 0 3 249.318 0.248 20 0 BCADHN Cn1cc([C@@H](CO)NCCCn2ccnc2)cn1 ZINC000494810236 226270074 /nfs/dbraw/zinc/27/00/74/226270074.db2.gz RBQVRSCKVHVZEP-GFCCVEGCSA-N 0 3 249.318 0.330 20 0 BCADHN NC1(C(=O)N2CCc3cncnc3C2)CCCC1 ZINC000494869737 226270401 /nfs/dbraw/zinc/27/04/01/226270401.db2.gz VJJSCEAYOKGQKM-UHFFFAOYSA-N 0 3 246.314 0.633 20 0 BCADHN C[C@@H]1CN(C[C@H]2CN(C)C(=O)O2)CC[C@H]1O ZINC000496398969 226303936 /nfs/dbraw/zinc/30/39/36/226303936.db2.gz AZZUMUBHFBSKIX-OPRDCNLKSA-N 0 3 228.292 0.140 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)OCCCF ZINC000496401966 226304101 /nfs/dbraw/zinc/30/41/01/226304101.db2.gz JHKWJLWVMMQGMD-JTQLQIEISA-N 0 3 236.287 0.385 20 0 BCADHN CN(C)C(=O)O[C@H]1CCN(CCC(C)(C)O)C1 ZINC000496749099 226313234 /nfs/dbraw/zinc/31/32/34/226313234.db2.gz AVAGXPFSUVNKLD-JTQLQIEISA-N 0 3 244.335 0.920 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000502577451 226330568 /nfs/dbraw/zinc/33/05/68/226330568.db2.gz SAYYPXRWQVFJSF-GUBZILKMSA-N 0 3 231.340 0.659 20 0 BCADHN C[C@@H]1C[C@H](O)CN(Cc2cccnc2N)C1 ZINC000401497129 226358382 /nfs/dbraw/zinc/35/83/82/226358382.db2.gz LOMQZEOEPUFZOV-KOLCDFICSA-N 0 3 221.304 0.867 20 0 BCADHN Cc1nccc(CN2C[C@@H](C(N)=O)CC[C@H]2C)n1 ZINC000507298420 226368224 /nfs/dbraw/zinc/36/82/24/226368224.db2.gz JQDHUPRBEJMYKH-KOLCDFICSA-N 0 3 248.330 0.871 20 0 BCADHN C[C@H](O)CN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000495973672 226293435 /nfs/dbraw/zinc/29/34/35/226293435.db2.gz XWQMCSIFZBKFEI-DTWKUNHWSA-N 0 3 216.281 0.140 20 0 BCADHN CN1CCC[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)C1 ZINC000668330067 487652365 /nfs/dbraw/zinc/65/23/65/487652365.db2.gz KKQKYPDHWGWCBA-LLVKDONJSA-N 0 3 249.314 0.540 20 0 BCADHN CCN1CCC[C@H](NC(=O)[C@H](COC)OC)C1 ZINC000668330696 487653647 /nfs/dbraw/zinc/65/36/47/487653647.db2.gz XNYOGOLOGXJXIF-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN CNS(=O)(=O)N(C)C(C)(C)CN1CCCC1 ZINC000668356954 487655395 /nfs/dbraw/zinc/65/53/95/487655395.db2.gz ISLFLMAKYDEIFC-UHFFFAOYSA-N 0 3 249.380 0.257 20 0 BCADHN COC(=O)C1CCN(C[C@@H](C)OC)CC1 ZINC000182035171 487659837 /nfs/dbraw/zinc/65/98/37/487659837.db2.gz RIZXLAYBLZHLHS-SECBINFHSA-N 0 3 215.293 0.906 20 0 BCADHN COCC1(CN[C@H]2CCS(=O)(=O)C2)CCC1 ZINC000381340806 487662776 /nfs/dbraw/zinc/66/27/76/487662776.db2.gz XOCMLYYCQDEHMZ-JTQLQIEISA-N 0 3 247.360 0.580 20 0 BCADHN COC[C@]1(C)CN(C[C@H](C)CO)CCO1 ZINC000626176541 487665385 /nfs/dbraw/zinc/66/53/85/487665385.db2.gz QTCNHZVZOUJWHV-QWRGUYRKSA-N 0 3 217.309 0.352 20 0 BCADHN CCC[C@H](CNCC(=O)N1CCOCC1)OC ZINC000378757720 487665244 /nfs/dbraw/zinc/66/52/44/487665244.db2.gz UDBJAJUSVUFFJL-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN CC(C)(C)OCCCN1C[C@H](O)C[C@H]1CO ZINC000680886724 487666258 /nfs/dbraw/zinc/66/62/58/487666258.db2.gz NCQWQZSQTRVLHK-WDEREUQCSA-N 0 3 231.336 0.619 20 0 BCADHN C[C@@H]1CN(CCN2CCCOC[C@H]2C)CCO1 ZINC000669691476 487666908 /nfs/dbraw/zinc/66/69/08/487666908.db2.gz MLPKEXDVNOCVIQ-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H]1CN(C(=O)Nc2ccncn2)[C@@H](C)CN1 ZINC000415536864 262754534 /nfs/dbraw/zinc/75/45/34/262754534.db2.gz YPULPIBRDCLVRA-IUCAKERBSA-N 0 3 235.291 0.691 20 0 BCADHN CCCN1CC[C@H](NCc2cc[nH]n2)C1 ZINC000328357686 487670972 /nfs/dbraw/zinc/67/09/72/487670972.db2.gz PFVICXBXAJADOY-NSHDSACASA-N 0 3 208.309 0.984 20 0 BCADHN CON1CCC(NCc2cn[nH]c2)CC1 ZINC000323072023 487671183 /nfs/dbraw/zinc/67/11/83/487671183.db2.gz PYHDDKWASKZXNZ-UHFFFAOYSA-N 0 3 210.281 0.525 20 0 BCADHN CCCN1CC[C@@H](NCc2cc[nH]n2)C1 ZINC000328357685 487671225 /nfs/dbraw/zinc/67/12/25/487671225.db2.gz PFVICXBXAJADOY-LLVKDONJSA-N 0 3 208.309 0.984 20 0 BCADHN C[C@@H](CO)N(C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459369210 229170220 /nfs/dbraw/zinc/17/02/20/229170220.db2.gz FYZVKGWWHZCHOO-QMMMGPOBSA-N 0 3 237.303 0.872 20 0 BCADHN COC[C@@H](C)N[C@H]1CCN(C(C)C)C1=O ZINC000165002911 229171658 /nfs/dbraw/zinc/17/16/58/229171658.db2.gz UCNSXFFMMBPURP-ZJUUUORDSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H](N[C@H]1COC[C@H]1O)[C@H]1COc2ccccc21 ZINC000463119096 229175828 /nfs/dbraw/zinc/17/58/28/229175828.db2.gz GVXPWMCSLPZYHM-ZBAXXZLZSA-N 0 3 249.310 0.900 20 0 BCADHN CO[C@H]1C[C@H](NCC(=O)N(C)C)C12CCC2 ZINC000308363244 229230857 /nfs/dbraw/zinc/23/08/57/229230857.db2.gz IFOJBCQNDURZAP-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@H]1C[C@@H](N(C)CCN2CCOC[C@H]2C)C1 ZINC000510092431 229291117 /nfs/dbraw/zinc/29/11/17/229291117.db2.gz RHGWCFBBMLOQTH-UPJWGTAASA-N 0 3 242.363 0.816 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCO[C@H](C)[C@@H]1C ZINC000512442357 229344035 /nfs/dbraw/zinc/34/40/35/229344035.db2.gz XQZAXIHUVMIJFG-GARJFASQSA-N 0 3 243.351 0.755 20 0 BCADHN O=c1cc(CNC2(CO)CCCC2)occ1O ZINC000305232176 229371629 /nfs/dbraw/zinc/37/16/29/229371629.db2.gz MKISOWGFEDUQKX-UHFFFAOYSA-N 0 3 239.271 0.740 20 0 BCADHN COCCCN(C)CCNC(=O)NCC(C)C ZINC000174486913 229384218 /nfs/dbraw/zinc/38/42/18/229384218.db2.gz BXNIKRUSSLCPLP-UHFFFAOYSA-N 0 3 245.367 0.910 20 0 BCADHN C[C@@H](C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)N(C)C ZINC000675147480 487672883 /nfs/dbraw/zinc/67/28/83/487672883.db2.gz SKSUMVOXBFYTAB-NHCYSSNCSA-N 0 3 239.363 0.535 20 0 BCADHN CC[C@@H](N)C(=O)N(C)Cc1ccc(OC)nc1 ZINC000662621586 487677120 /nfs/dbraw/zinc/67/71/20/487677120.db2.gz VUCHZPPVZIDIAV-SNVBAGLBSA-N 0 3 237.303 0.786 20 0 BCADHN Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](C)[NH3+])c1 ZINC000082574650 487677546 /nfs/dbraw/zinc/67/75/46/487677546.db2.gz HOMBFJKLDBEKBC-MRVPVSSYSA-N 0 3 246.307 0.760 20 0 BCADHN Cn1nccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000087689683 487679069 /nfs/dbraw/zinc/67/90/69/487679069.db2.gz LZJCPWDRPFYRGJ-MXWKQRLJSA-N 0 3 207.277 0.830 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)N[C@H](C)CO ZINC000675193874 487679415 /nfs/dbraw/zinc/67/94/15/487679415.db2.gz HLYOUXZHJCTQGK-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN CCC1(CNC(=O)CN2CCNCC2)CCC1 ZINC000232985570 487680301 /nfs/dbraw/zinc/68/03/01/487680301.db2.gz LIUDJVZSACWLFQ-UHFFFAOYSA-N 0 3 239.363 0.588 20 0 BCADHN CNS(=O)(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000671672851 487682338 /nfs/dbraw/zinc/68/23/38/487682338.db2.gz SIOJNUVIBCCPJI-ZJUUUORDSA-N 0 3 249.380 0.303 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccccc1-n1cncn1 ZINC000054073760 487682358 /nfs/dbraw/zinc/68/23/58/487682358.db2.gz LEKOOGOZXSPJLW-VIFPVBQESA-N 0 3 245.286 0.814 20 0 BCADHN CNS(=O)(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000671674936 487683024 /nfs/dbraw/zinc/68/30/24/487683024.db2.gz YRQLQOZCKVFUNQ-UWVGGRQHSA-N 0 3 249.380 0.303 20 0 BCADHN CN[C@@H](C)C(=O)NCC[C@H]1CCCO1 ZINC000054075695 487683682 /nfs/dbraw/zinc/68/36/82/487683682.db2.gz WKAMAGIFMFJJSF-DTWKUNHWSA-N 0 3 200.282 0.280 20 0 BCADHN CC1(OCC(=O)N2CCCCCC2)CNC1 ZINC000163072117 487683769 /nfs/dbraw/zinc/68/37/69/487683769.db2.gz YNYVTLMZOQJZPI-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN CN(C)C(=O)CNC[C@@]1(C)CCCS1 ZINC000087793645 487687299 /nfs/dbraw/zinc/68/72/99/487687299.db2.gz JLECKSBOLHIFAH-SNVBAGLBSA-N 0 3 216.350 0.950 20 0 BCADHN C[C@H](c1ccccc1)[C@H](CO)N[C@H]1CCNC1=O ZINC000680993534 487688074 /nfs/dbraw/zinc/68/80/74/487688074.db2.gz NOAFFGYCNRSKGD-WXHSDQCUSA-N 0 3 248.326 0.629 20 0 BCADHN CCn1cc([C@@H](C)NC[C@@H]2CCC(=O)N2)cn1 ZINC000079927062 487689272 /nfs/dbraw/zinc/68/92/72/487689272.db2.gz VORWRBITUXWAQX-KOLCDFICSA-N 0 3 236.319 0.832 20 0 BCADHN CNC(=O)CCCNC(=O)[C@@H](N)CCC(C)C ZINC000637937951 487691672 /nfs/dbraw/zinc/69/16/72/487691672.db2.gz MYWRSPBMLGKSPK-JTQLQIEISA-N 0 3 243.351 0.392 20 0 BCADHN CC(C)[C@H](C(=O)NCC(F)(F)CO)N(C)C ZINC000681009019 487693400 /nfs/dbraw/zinc/69/34/00/487693400.db2.gz OTJSTLVOLFQQMS-MRVPVSSYSA-N 0 3 238.278 0.316 20 0 BCADHN CS(=O)(=O)CCCCN(CCO)CC1CC1 ZINC000675294707 487693942 /nfs/dbraw/zinc/69/39/42/487693942.db2.gz MXVNSKOCDMIKMY-UHFFFAOYSA-N 0 3 249.376 0.516 20 0 BCADHN CCOC1CCN(C(=O)C2(N)CCC2)CC1 ZINC000088050747 487696974 /nfs/dbraw/zinc/69/69/74/487696974.db2.gz XZJZGTWVSJYSNJ-UHFFFAOYSA-N 0 3 226.320 0.895 20 0 BCADHN CC1(C)C[C@@H](N2CC[C@@H](NC(N)=O)C2)CO1 ZINC000660149267 487697300 /nfs/dbraw/zinc/69/73/00/487697300.db2.gz HJWKGPOMXJOSLD-RKDXNWHRSA-N 0 3 227.308 0.297 20 0 BCADHN CN(CCn1ccccc1=O)[C@H]1CCCOC1 ZINC000671704331 487697377 /nfs/dbraw/zinc/69/73/77/487697377.db2.gz YGXAIQHQEALJSM-LBPRGKRZSA-N 0 3 236.315 0.959 20 0 BCADHN CN(CCCCS(C)(=O)=O)[C@@H]1CCCOC1 ZINC000671704357 487697968 /nfs/dbraw/zinc/69/79/68/487697968.db2.gz QXBIHSBDSXHFIV-LLVKDONJSA-N 0 3 249.376 0.922 20 0 BCADHN CN1CCC[C@H](NC(=O)COC(F)F)C1 ZINC000671702271 487697666 /nfs/dbraw/zinc/69/76/66/487697666.db2.gz UFUUDBICVNTGAP-ZETCQYMHSA-N 0 3 222.235 0.436 20 0 BCADHN CC[C@H](CN1CCOC[C@H](O)C1)OC ZINC000399882645 262846729 /nfs/dbraw/zinc/84/67/29/262846729.db2.gz GOXFFDZOQHMBHJ-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN CCn1cncc1CNC[C@@H](O)[C@@H]1CCCO1 ZINC000527756820 262879952 /nfs/dbraw/zinc/87/99/52/262879952.db2.gz LYROCAFMUIIFAI-NEPJUHHUSA-N 0 3 239.319 0.533 20 0 BCADHN CCNC(=O)CN[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528753739 262967076 /nfs/dbraw/zinc/96/70/76/262967076.db2.gz MJBPMNFQRQKEFS-KBIXCLLPSA-N 0 3 214.309 0.524 20 0 BCADHN CO[C@H]1C[C@@H](N(C)CCn2ccccc2=O)C1 ZINC000671704962 487699444 /nfs/dbraw/zinc/69/94/44/487699444.db2.gz ASRBSRMEQMWFHU-TXEJJXNPSA-N 0 3 236.315 0.958 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)NC[C@H](C)N(C)C ZINC000900164284 584281895 /nfs/dbraw/zinc/28/18/95/584281895.db2.gz YGXJCQKCTHEKCH-GUBZILKMSA-N 0 3 216.325 0.460 20 0 BCADHN Cc1cncc([C@H](C)NCCc2nnnn2C)c1 ZINC000681052108 487706550 /nfs/dbraw/zinc/70/65/50/487706550.db2.gz OSJPDBPSXHQKNG-JTQLQIEISA-N 0 3 246.318 0.807 20 0 BCADHN CN(CCn1ccccc1=O)C1(CO)CC1 ZINC000671727549 487710215 /nfs/dbraw/zinc/71/02/15/487710215.db2.gz FWDIFGTZJATRQF-UHFFFAOYSA-N 0 3 222.288 0.305 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000233401316 487713818 /nfs/dbraw/zinc/71/38/18/487713818.db2.gz HSSGFUPNXJBRPZ-RYUDHWBXSA-N 0 3 241.335 0.228 20 0 BCADHN CO[C@H](C)CN(C)CC[C@@H]1CCS(=O)(=O)C1 ZINC000671737453 487715747 /nfs/dbraw/zinc/71/57/47/487715747.db2.gz VHADRHJJQXSPLT-GHMZBOCLSA-N 0 3 249.376 0.778 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@H](C)N(C)C ZINC000674244807 487717563 /nfs/dbraw/zinc/71/75/63/487717563.db2.gz WPRMXELVDVERHM-QWRGUYRKSA-N 0 3 227.352 0.537 20 0 BCADHN Cc1cc(NC(=O)COC2(C)CNC2)n(C)n1 ZINC000098060378 487717753 /nfs/dbraw/zinc/71/77/53/487717753.db2.gz AVDOHUFWLHFMKI-UHFFFAOYSA-N 0 3 238.291 0.046 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)N(C)C ZINC000674244808 487717812 /nfs/dbraw/zinc/71/78/12/487717812.db2.gz WPRMXELVDVERHM-WDEREUQCSA-N 0 3 227.352 0.537 20 0 BCADHN CC1(OCC(=O)NC(C2CC2)C2CC2)CNC1 ZINC000098060664 487717834 /nfs/dbraw/zinc/71/78/34/487717834.db2.gz VTNWOOJEWKGQOB-UHFFFAOYSA-N 0 3 238.331 0.670 20 0 BCADHN C[C@@H]1CN(C(=O)COC2(C)CNC2)CCCO1 ZINC000098061341 487718735 /nfs/dbraw/zinc/71/87/35/487718735.db2.gz GSNPWSLHWYRVHS-SNVBAGLBSA-N 0 3 242.319 0.002 20 0 BCADHN C[C@@H]1CN(C(=O)COC2(C)CNC2)C[C@H](C)O1 ZINC000098063281 487720612 /nfs/dbraw/zinc/72/06/12/487720612.db2.gz KWIPTTZPKMSRKM-AOOOYVTPSA-N 0 3 242.319 0.001 20 0 BCADHN CN(Cc1ccco1)C(=O)COC1(C)CNC1 ZINC000098061791 487720206 /nfs/dbraw/zinc/72/02/06/487720206.db2.gz FDCOMGLTIJVDPH-UHFFFAOYSA-N 0 3 238.287 0.617 20 0 BCADHN Cc1c(CN[C@H]2CCCNC(=O)C2)cnn1C ZINC000226378131 487720830 /nfs/dbraw/zinc/72/08/30/487720830.db2.gz VAHFUOXYMFRBEA-NSHDSACASA-N 0 3 236.319 0.487 20 0 BCADHN CN1CCC(Nc2ncnc3c2OCCN3)CC1 ZINC000665689048 487730688 /nfs/dbraw/zinc/73/06/88/487730688.db2.gz SFWNDJVVWPARDW-UHFFFAOYSA-N 0 3 249.318 0.787 20 0 BCADHN C[C@H](Cc1ccc(O)cc1)N[C@H]1CCNC1=O ZINC000668424971 487731696 /nfs/dbraw/zinc/73/16/96/487731696.db2.gz DDLBKBDAMJOOQF-SKDRFNHKSA-N 0 3 234.299 0.801 20 0 BCADHN O=C(N[C@@]12C[C@@H]1CCC2)[C@@H]1CNCCOC1 ZINC000662847754 487732991 /nfs/dbraw/zinc/73/29/91/487732991.db2.gz LCIQTHCHRBJHKN-SCVCMEIPSA-N 0 3 224.304 0.281 20 0 BCADHN CN1CCC[C@H](CNC(=O)C2=CCOCC2)C1 ZINC000681127108 487734497 /nfs/dbraw/zinc/73/44/97/487734497.db2.gz LBYGDYMCUKGZLE-LLVKDONJSA-N 0 3 238.331 0.791 20 0 BCADHN CCn1ncnc1CNCCN1CCCCC1 ZINC000088590837 487736826 /nfs/dbraw/zinc/73/68/26/487736826.db2.gz ANUDVVIEHZPLHD-UHFFFAOYSA-N 0 3 237.351 0.874 20 0 BCADHN C[C@H](c1ccncc1)N1C[C@@H](O)C[C@H]1CO ZINC000681167860 487740652 /nfs/dbraw/zinc/74/06/52/487740652.db2.gz TYAILZKVKZITAQ-USWWRNFRSA-N 0 3 222.288 0.570 20 0 BCADHN CC[C@H]1CN(CCc2c[nH]nn2)[C@H](C)CO1 ZINC000660912825 487743165 /nfs/dbraw/zinc/74/31/65/487743165.db2.gz NJZDNIHNSGLMEK-KOLCDFICSA-N 0 3 224.308 0.847 20 0 BCADHN CN(C[C@H](O)C(C)(C)C)C[C@@H]1COCCO1 ZINC000661609533 487747488 /nfs/dbraw/zinc/74/74/88/487747488.db2.gz BBAPRBLSMKWNMD-MNOVXSKESA-N 0 3 231.336 0.741 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)Cc1ccccn1 ZINC000655500012 487747687 /nfs/dbraw/zinc/74/76/87/487747687.db2.gz TYQBWQCDRKYMMI-GXSJLCMTSA-N 0 3 221.304 0.866 20 0 BCADHN CC1CCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC000675572087 487749976 /nfs/dbraw/zinc/74/99/76/487749976.db2.gz VGSUNOWKNYHVAG-UHFFFAOYSA-N 0 3 237.307 0.153 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000356620069 487754590 /nfs/dbraw/zinc/75/45/90/487754590.db2.gz MSVAMNDACBUWET-GMTAPVOTSA-N 0 3 226.320 0.431 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)C(C)(C)O)N(C)C ZINC000665749393 487755677 /nfs/dbraw/zinc/75/56/77/487755677.db2.gz YEBLMOYSYYYOGG-IUCAKERBSA-N 0 3 216.325 0.602 20 0 BCADHN C[C@H]1CN(CCS(N)(=O)=O)C(C)(C)C1 ZINC000746677853 585172002 /nfs/dbraw/zinc/17/20/02/585172002.db2.gz GPXIGJKMKQEYRD-MRVPVSSYSA-N 0 3 220.338 0.395 20 0 BCADHN CC[C@H](NC(=O)[C@@H](C)N)[C@@H]1CCCO1 ZINC000158018072 487765899 /nfs/dbraw/zinc/76/58/99/487765899.db2.gz FINDJPMOXFMGOG-VGMNWLOBSA-N 0 3 200.282 0.407 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](C)N)[C@@H]1CCCO1 ZINC000158018202 487765914 /nfs/dbraw/zinc/76/59/14/487765914.db2.gz FINDJPMOXFMGOG-HLTSFMKQSA-N 0 3 200.282 0.407 20 0 BCADHN CO[C@@H](CNC1CSC1)[C@H]1CCOC1 ZINC000668445032 487766493 /nfs/dbraw/zinc/76/64/93/487766493.db2.gz WBNPQASFCCNIPQ-WPRPVWTQSA-N 0 3 217.334 0.743 20 0 BCADHN Cc1ccncc1CC(=O)NC[C@@H](C)N(C)C ZINC000666243269 487767605 /nfs/dbraw/zinc/76/76/05/487767605.db2.gz FIXRMIRVNIIJMC-LLVKDONJSA-N 0 3 235.331 0.999 20 0 BCADHN C[C@@H]1CCCN(C[C@@H]2CNC(=O)O2)[C@H]1CO ZINC000496620569 533690030 /nfs/dbraw/zinc/69/00/30/533690030.db2.gz CYRNYVGDHNZZDK-UTLUCORTSA-N 0 3 228.292 0.188 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)C2(O)CCC2)C1 ZINC000681299945 487771314 /nfs/dbraw/zinc/77/13/14/487771314.db2.gz MRXVXNBRXLBHSY-SNVBAGLBSA-N 0 3 226.320 0.359 20 0 BCADHN CO[C@H](C)CNC(=O)N(C)CCN(C)C1CC1 ZINC000666259711 487773135 /nfs/dbraw/zinc/77/31/35/487773135.db2.gz OIQGCQQXCFJSMK-SNVBAGLBSA-N 0 3 243.351 0.757 20 0 BCADHN CO[C@H](C)[C@@H](C)NCC(=O)NCc1ccco1 ZINC000675738507 487773688 /nfs/dbraw/zinc/77/36/88/487773688.db2.gz JJUJYKORWIJUMF-NXEZZACHSA-N 0 3 240.303 0.909 20 0 BCADHN O=C(CNC1CC1)Nc1ccc2c(c1)CC(=O)N2 ZINC000077398909 487782384 /nfs/dbraw/zinc/78/23/84/487782384.db2.gz ZNRCFRBJXQASOI-UHFFFAOYSA-N 0 3 245.282 0.872 20 0 BCADHN C[C@H](CN1CCCCC1)NC(=O)[C@@H](O)C1CC1 ZINC000666316554 487785759 /nfs/dbraw/zinc/78/57/59/487785759.db2.gz DQKMBCULFFMKRE-PWSUYJOCSA-N 0 3 240.347 0.748 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CC2(F)F)C1 ZINC000650322665 487786796 /nfs/dbraw/zinc/78/67/96/487786796.db2.gz JHPFZAJYYXOEDK-CIUDSAMLSA-N 0 3 230.258 0.804 20 0 BCADHN N[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000385525210 487788290 /nfs/dbraw/zinc/78/82/90/487788290.db2.gz BOQAIUQRKJXBLC-QNWHQSFQSA-N 0 3 246.310 0.695 20 0 BCADHN CCCN[C@@H](C)C(=O)Nc1ccn(C)n1 ZINC000566149518 487792652 /nfs/dbraw/zinc/79/26/52/487792652.db2.gz OTOHWHXJAXOPMT-QMMMGPOBSA-N 0 3 210.281 0.747 20 0 BCADHN CN[C@@H](C)C(=O)N1CCO[C@H](C)[C@H]1C ZINC000307361758 487793620 /nfs/dbraw/zinc/79/36/20/487793620.db2.gz HVCJWYPQNXFNQK-DJLDLDEBSA-N 0 3 200.282 0.230 20 0 BCADHN Cn1nccc1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000681465752 487799071 /nfs/dbraw/zinc/79/90/71/487799071.db2.gz NTJANJWCBRORGL-SECBINFHSA-N 0 3 237.307 0.636 20 0 BCADHN CC[C@@H](CO)N1CCN([C@H]2CCCOC2)CC1 ZINC000674301723 487798976 /nfs/dbraw/zinc/79/89/76/487798976.db2.gz FTTVAIBBPSZNOV-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN CN(CC(=O)NCC1CC1)C1CCOCC1 ZINC000673755530 487800747 /nfs/dbraw/zinc/80/07/47/487800747.db2.gz RRZNQLTWOABOSA-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CN1CCC[C@H](NC[C@@H](O)C(F)(F)F)C1 ZINC000234330866 487803122 /nfs/dbraw/zinc/80/31/22/487803122.db2.gz SEUSWYRJLJFQIC-JGVFFNPUSA-N 0 3 226.242 0.593 20 0 BCADHN CN1CCC[C@@H](NC[C@@H](O)C(F)(F)F)C1 ZINC000234340805 487803565 /nfs/dbraw/zinc/80/35/65/487803565.db2.gz SEUSWYRJLJFQIC-HTQZYQBOSA-N 0 3 226.242 0.593 20 0 BCADHN CC[C@@H](CO)C(=O)N[C@@H](CN(C)C)C(C)C ZINC000779779884 585762659 /nfs/dbraw/zinc/76/26/59/585762659.db2.gz MGQITKSWSREKKV-QWRGUYRKSA-N 0 3 230.352 0.707 20 0 BCADHN C[C@@H]1CN(Cc2cn[nH]c2)[C@H](C)CN1C ZINC000681493483 487805574 /nfs/dbraw/zinc/80/55/74/487805574.db2.gz UTNBQMXXDDEQDK-NXEZZACHSA-N 0 3 208.309 0.934 20 0 BCADHN C[C@@H]1CCCCN1CCNC(=O)[C@@H](O)C1CC1 ZINC000666427091 487806078 /nfs/dbraw/zinc/80/60/78/487806078.db2.gz NAVUBGMSDDMOPL-PWSUYJOCSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1[C@H](C)N(Cc2cn[nH]c2)CCN1C ZINC000681491188 487806133 /nfs/dbraw/zinc/80/61/33/487806133.db2.gz DTXZCZUVOALDMY-ZJUUUORDSA-N 0 3 208.309 0.934 20 0 BCADHN CC(C)NCC(=O)NCCCCn1ccnc1 ZINC000045109219 487808519 /nfs/dbraw/zinc/80/85/19/487808519.db2.gz MLNBSBDBNQMOAG-UHFFFAOYSA-N 0 3 238.335 0.778 20 0 BCADHN CCN(CC(=O)N(C)C)C[C@H]1CCCOC1 ZINC000676081861 487811439 /nfs/dbraw/zinc/81/14/39/487811439.db2.gz GUVQZQMJANNYDO-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CS(=O)(=O)CC1(CNC2CSC2)CCC1 ZINC000666473964 487816036 /nfs/dbraw/zinc/81/60/36/487816036.db2.gz CZCKNRJEZCKYCY-UHFFFAOYSA-N 0 3 249.401 0.906 20 0 BCADHN CCO[C@H]1CCCN(CCN2CCNC2=O)C1 ZINC000676181136 487817858 /nfs/dbraw/zinc/81/78/58/487817858.db2.gz SEWRWIHXJXRKIF-NSHDSACASA-N 0 3 241.335 0.513 20 0 BCADHN Cn1cnc(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000676211581 487821824 /nfs/dbraw/zinc/82/18/24/487821824.db2.gz ULDZPHITWMAIRB-LLVKDONJSA-N 0 3 248.330 0.634 20 0 BCADHN C[C@@H](CO)CN1CC[C@@H](n2cncn2)C1 ZINC000681606166 487824198 /nfs/dbraw/zinc/82/41/98/487824198.db2.gz KXLONCJWUBIXPK-NXEZZACHSA-N 0 3 210.281 0.153 20 0 BCADHN CN1CCC(NC(=O)C(C)(F)F)CC1 ZINC000786995604 585899716 /nfs/dbraw/zinc/89/97/16/585899716.db2.gz PBFZLLWMSWFLRZ-UHFFFAOYSA-N 0 3 206.236 0.852 20 0 BCADHN Cc1cc(CN[C@H](C)[C@@H](C)O)nc(C)n1 ZINC000564868253 322944684 /nfs/dbraw/zinc/94/46/84/322944684.db2.gz DJFMSZDFJUBKEE-RKDXNWHRSA-N 0 3 209.293 0.952 20 0 BCADHN CCN1CCC[C@H]1CNC(=S)NCCF ZINC000797793260 586131513 /nfs/dbraw/zinc/13/15/13/586131513.db2.gz OISDATMRAWRTCA-VIFPVBQESA-N 0 3 233.356 0.904 20 0 BCADHN Cc1ncc([C@@H](C)N2CC[C@@H](C(N)=O)C2)c(C)n1 ZINC000681640063 487828789 /nfs/dbraw/zinc/82/87/89/487828789.db2.gz UFVVTXWANWGJRR-MWLCHTKSSA-N 0 3 248.330 0.962 20 0 BCADHN Cc1ncc([C@@H](C)N2CC[C@H](C(N)=O)C2)c(C)n1 ZINC000681640062 487829031 /nfs/dbraw/zinc/82/90/31/487829031.db2.gz UFVVTXWANWGJRR-KOLCDFICSA-N 0 3 248.330 0.962 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCO[C@@H]1C ZINC000558031658 322945393 /nfs/dbraw/zinc/94/53/93/322945393.db2.gz POQLEVZSXRNALB-IVZWLZJFSA-N 0 3 214.309 0.478 20 0 BCADHN CCC[C@H](C)N1CCN(CC(=O)N(C)C)CC1 ZINC000681642803 487829858 /nfs/dbraw/zinc/82/98/58/487829858.db2.gz YPENVXQBEXTMNU-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C(=O)OC(C)(C)C ZINC000808472727 586475624 /nfs/dbraw/zinc/47/56/24/586475624.db2.gz LMDFTOUTRPVXRT-QMMMGPOBSA-N 0 3 230.308 0.394 20 0 BCADHN C[C@@H]1C[C@@H](NCCNC(=O)c2ccco2)CO1 ZINC000647169182 487829991 /nfs/dbraw/zinc/82/99/91/487829991.db2.gz DGPCIHLBSLCCEM-NXEZZACHSA-N 0 3 238.287 0.776 20 0 BCADHN C/C=C/C=C/C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000492624498 527581626 /nfs/dbraw/zinc/58/16/26/527581626.db2.gz NQQJYZPRUXSONW-KVOZUEDISA-N 0 3 224.304 0.302 20 0 BCADHN CC[C@H]1CN(C)CCN1CC(OC)OC ZINC000821337400 587108819 /nfs/dbraw/zinc/10/88/19/587108819.db2.gz UTDDZHDGYANABQ-JTQLQIEISA-N 0 3 216.325 0.631 20 0 BCADHN CC(C)O[N-]C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000823302079 587215094 /nfs/dbraw/zinc/21/50/94/587215094.db2.gz KHJSWNMEKOLMQV-SECBINFHSA-N 0 3 200.282 0.784 20 0 BCADHN CO[C@H](C)CNC(=O)C1(N)CCCC1 ZINC000223704400 487831943 /nfs/dbraw/zinc/83/19/43/487831943.db2.gz KAYUWFVBERCKCY-MRVPVSSYSA-N 0 3 200.282 0.409 20 0 BCADHN CC1(C)COCN1C(=O)CN1CCCC1 ZINC000822680513 587180643 /nfs/dbraw/zinc/18/06/43/587180643.db2.gz RYZWDDFCYZLDLN-UHFFFAOYSA-N 0 3 212.293 0.677 20 0 BCADHN COC[C@@H]1CCN(CC[S@](C)=O)C1 ZINC000827936182 587410855 /nfs/dbraw/zinc/41/08/55/587410855.db2.gz GIBNUXXMFZCPFV-RNCFNFMXSA-N 0 3 205.323 0.333 20 0 BCADHN CC(C)(C)c1noc(CCOC2CNC2)n1 ZINC000666571021 487833400 /nfs/dbraw/zinc/83/34/00/487833400.db2.gz RPYAVFZBFRMDHF-UHFFFAOYSA-N 0 3 225.292 0.898 20 0 BCADHN CC(C)O[C@@H]1CCN(CC[S@@](C)=O)C1 ZINC000828832481 587465406 /nfs/dbraw/zinc/46/54/06/587465406.db2.gz TVTFGJWETUAREE-QMTHXVAHSA-N 0 3 219.350 0.864 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2ccncn2)C1 ZINC000681665630 487835023 /nfs/dbraw/zinc/83/50/23/487835023.db2.gz KMBWZCXQHPNXSN-MWLCHTKSSA-N 0 3 234.303 0.547 20 0 BCADHN Cc1c[nH]nc1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000669615045 487836077 /nfs/dbraw/zinc/83/60/77/487836077.db2.gz CCVUOKYSVWNDGZ-GHMZBOCLSA-N 0 3 248.330 0.884 20 0 BCADHN CC[C@](NC(=O)CNC(C)C)(C(N)=O)C(C)C ZINC000517759706 322947651 /nfs/dbraw/zinc/94/76/51/322947651.db2.gz UNVYJERUHWYTHZ-GFCCVEGCSA-N 0 3 243.351 0.391 20 0 BCADHN CN1CCC(NC(=O)C2(F)CC2)CC1 ZINC000843755239 588137703 /nfs/dbraw/zinc/13/77/03/588137703.db2.gz FYRDHOLICKAVHO-UHFFFAOYSA-N 0 3 200.257 0.699 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)C1)N(C)C ZINC000843766063 588138622 /nfs/dbraw/zinc/13/86/22/588138622.db2.gz WSTXDCHHQRTDQJ-RKDXNWHRSA-N 0 3 212.293 0.422 20 0 BCADHN CN(C[C@@H]1COC(C)(C)O1)CC(C)(C)O ZINC000851775756 588626398 /nfs/dbraw/zinc/62/63/98/588626398.db2.gz YZJISHMXGBKVGW-SECBINFHSA-N 0 3 217.309 0.841 20 0 BCADHN C[C@H](NCCn1ccccc1=O)c1cn[nH]c1 ZINC000681694605 487841600 /nfs/dbraw/zinc/84/16/00/487841600.db2.gz LLDLWNYTPDBSSK-JTQLQIEISA-N 0 3 232.287 0.922 20 0 BCADHN CN(C[C@@H]1COC(C)(C)O1)C1CC(O)C1 ZINC000851934712 588645428 /nfs/dbraw/zinc/64/54/28/588645428.db2.gz NTDKPUXAUKIUNQ-UDNWOFFPSA-N 0 3 215.293 0.593 20 0 BCADHN CC[C@](C)(N)c1cn(C[C@H]2CCOC2)nn1 ZINC000395171400 487841818 /nfs/dbraw/zinc/84/18/18/487841818.db2.gz MSTJLBJGLPVHES-KOLCDFICSA-N 0 3 224.308 0.899 20 0 BCADHN C[C@H](O)[C@H]1CCCN1CC[S@](C)=O ZINC000852558732 588690353 /nfs/dbraw/zinc/69/03/53/588690353.db2.gz LUEGHDBEWVFREB-RWEMILLDSA-N 0 3 205.323 0.210 20 0 BCADHN C[C@@H](CCO)N(C)C[C@@H]1CCC(=O)O1 ZINC000852212372 588672505 /nfs/dbraw/zinc/67/25/05/588672505.db2.gz AHLOQFJZAKEKBR-IUCAKERBSA-N 0 3 201.266 0.395 20 0 BCADHN C[C@@H](CCO)N(C)C[C@@H]1COC(C)(C)O1 ZINC000852212836 588672917 /nfs/dbraw/zinc/67/29/17/588672917.db2.gz FAKLHWPCDJBHRG-VHSXEESVSA-N 0 3 217.309 0.841 20 0 BCADHN COC[C@@H](CN1C[C@H]2[C@@H](C1)C2(F)F)OC ZINC000852214614 588673001 /nfs/dbraw/zinc/67/30/01/588673001.db2.gz XXTHYOXFPLPECF-HLTSFMKQSA-N 0 3 221.247 0.845 20 0 BCADHN C[C@H]1CC(=O)NCCN1C[C@H](O)C(C)(C)C ZINC000676385494 487843862 /nfs/dbraw/zinc/84/38/62/487843862.db2.gz XIWWIDHRPGLOBG-UWVGGRQHSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H](NC(=O)C(C)(C)N)c1ccnn1C ZINC000871011126 589711026 /nfs/dbraw/zinc/71/10/26/589711026.db2.gz PMZTZUQRLOXYNF-SSDOTTSWSA-N 0 3 210.281 0.335 20 0 BCADHN CON(C)C(=O)CCNCC(C)(C)F ZINC000872217327 589896059 /nfs/dbraw/zinc/89/60/59/589896059.db2.gz SFFIZVKKPURBFH-UHFFFAOYSA-N 0 3 206.261 0.734 20 0 BCADHN CCCN1CC[C@@H](NC(=O)[C@H](N)CC(F)F)C1 ZINC000389891711 487844801 /nfs/dbraw/zinc/84/48/01/487844801.db2.gz OAPRNXBACKJOBY-RKDXNWHRSA-N 0 3 249.305 0.569 20 0 BCADHN C[C@H](CO)CN1CCC(O)(C(F)F)CC1 ZINC000681709530 487845366 /nfs/dbraw/zinc/84/53/66/487845366.db2.gz HXLRUJFGEKVHQC-QMMMGPOBSA-N 0 3 223.263 0.707 20 0 BCADHN COC(C)(C)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000171666560 487845430 /nfs/dbraw/zinc/84/54/30/487845430.db2.gz ZYQFDMLLVSDCPO-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN CCN(CC(=O)NC)C[C@@](C)(CC)OC ZINC000876577647 590218364 /nfs/dbraw/zinc/21/83/64/590218364.db2.gz IAESMNWHBYEKDZ-LLVKDONJSA-N 0 3 216.325 0.869 20 0 BCADHN CO[C@@H](C)[C@H](C)NCCS(=O)(=O)C1CC1 ZINC000877591060 590355621 /nfs/dbraw/zinc/35/56/21/590355621.db2.gz OESGJLGIVUABJI-IUCAKERBSA-N 0 3 235.349 0.577 20 0 BCADHN COC[C@@H](C)N1CCCN(C=O)CC1 ZINC000878637325 590599046 /nfs/dbraw/zinc/59/90/46/590599046.db2.gz ISCZAWGNDZCKAM-SNVBAGLBSA-N 0 3 200.282 0.185 20 0 BCADHN CN(CCO)CCNC(=O)OCC(F)(F)F ZINC000885804421 592101880 /nfs/dbraw/zinc/10/18/80/592101880.db2.gz LGFMLOZNLIQGJH-UHFFFAOYSA-N 0 3 244.213 0.199 20 0 BCADHN CC1(C)CC(NC(=O)C[C@@H]2CNCCO2)C1 ZINC000395283523 487849031 /nfs/dbraw/zinc/84/90/31/487849031.db2.gz FDTDENBJNAYMBN-SNVBAGLBSA-N 0 3 226.320 0.670 20 0 BCADHN COC[C@H](CN(C)C[C@@H]1CCCO1)OC ZINC000659846741 487852137 /nfs/dbraw/zinc/85/21/37/487852137.db2.gz RYXKVGLLNDQARK-QWRGUYRKSA-N 0 3 217.309 0.759 20 0 BCADHN COC[C@H]1CCCN1CC(=O)N1CCCC1 ZINC000674469405 487854538 /nfs/dbraw/zinc/85/45/38/487854538.db2.gz IEFFKCNHZNYGCK-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN C[C@H](CN1CCN(CC(N)=O)CC1)C(C)(C)C ZINC000670261939 487857308 /nfs/dbraw/zinc/85/73/08/487857308.db2.gz OXWYMRZEIGHFFV-LLVKDONJSA-N 0 3 241.379 0.772 20 0 BCADHN C[C@@H]1CN(C[C@H]2CNCCO2)C[C@@H](C)S1 ZINC000226682828 487857350 /nfs/dbraw/zinc/85/73/50/487857350.db2.gz GXPMSKBXEJMHPY-GMTAPVOTSA-N 0 3 230.377 0.801 20 0 BCADHN C/C(Cl)=C/C(=O)N(C)CCN(C)CCO ZINC000912598159 640119951 /nfs/dbraw/zinc/11/99/51/640119951.db2.gz CPJOQALZRCMLFE-HJWRWDBZSA-N 0 3 234.727 0.512 20 0 BCADHN COC[C@H](C)N1CCN([C@@H](C)COC)CC1 ZINC000075595214 322955654 /nfs/dbraw/zinc/95/56/54/322955654.db2.gz MIZIAFVVSAGRFF-RYUDHWBXSA-N 0 3 230.352 0.674 20 0 BCADHN CC[C@](C)(NCCn1cc(C)cn1)C(N)=O ZINC000303337016 487860443 /nfs/dbraw/zinc/86/04/43/487860443.db2.gz ZPTGHAYXIIGXFF-NSHDSACASA-N 0 3 224.308 0.435 20 0 BCADHN CCCC[C@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000668506039 487861386 /nfs/dbraw/zinc/86/13/86/487861386.db2.gz FVGGYQPCQSTSST-DCAQKATOSA-N 0 3 249.376 0.967 20 0 BCADHN COCCCCCNC(=O)CNC(C)C ZINC000234705131 487861842 /nfs/dbraw/zinc/86/18/42/487861842.db2.gz LPTRZZXWADOXAZ-UHFFFAOYSA-N 0 3 216.325 0.917 20 0 BCADHN CN(Cc1ccoc1)C[C@H]1CNC(=O)C1 ZINC000659852400 487863767 /nfs/dbraw/zinc/86/37/67/487863767.db2.gz NTPCYVTXDPZUCN-SNVBAGLBSA-N 0 3 208.261 0.848 20 0 BCADHN CC(C)c1cc(=O)n(C[C@@H]2CNCCO2)cn1 ZINC000395644783 487865742 /nfs/dbraw/zinc/86/57/42/487865742.db2.gz ZTEUKKVPCQYJMC-JTQLQIEISA-N 0 3 237.303 0.355 20 0 BCADHN C[C@H](CNC(=O)c1ncccc1F)N(C)C ZINC000666244641 487871725 /nfs/dbraw/zinc/87/17/25/487871725.db2.gz YASRHSANATWKDV-MRVPVSSYSA-N 0 3 225.267 0.901 20 0 BCADHN CC(C)(C)OCCCN1CC[C@H](CO)[C@@H](O)C1 ZINC000676560844 487872655 /nfs/dbraw/zinc/87/26/55/487872655.db2.gz WJSCLEFLZOJOCZ-NEPJUHHUSA-N 0 3 245.363 0.867 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@H](O)CC(F)(F)F ZINC000564928044 322962140 /nfs/dbraw/zinc/96/21/40/322962140.db2.gz GJVZYRNOZRSBHP-BWZBUEFSSA-N 0 3 243.225 0.303 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2cnc3ccccn23)C1 ZINC000651940667 487876272 /nfs/dbraw/zinc/87/62/72/487876272.db2.gz YXWUKVZTVYYCBY-AOOOYVTPSA-N 0 3 244.298 0.688 20 0 BCADHN CC(C)CC[C@H](O)CN1CC(C)(C(N)=O)C1 ZINC000569358405 322963821 /nfs/dbraw/zinc/96/38/21/322963821.db2.gz ZSBPBNNDFWZOFK-JTQLQIEISA-N 0 3 228.336 0.591 20 0 BCADHN C[C@@H](CN[C@@H]1CCCCC[C@H]1O)S(C)(=O)=O ZINC000569484672 322967751 /nfs/dbraw/zinc/96/77/51/322967751.db2.gz BPTFCBMVLZZLLQ-HBNTYKKESA-N 0 3 249.376 0.703 20 0 BCADHN NC(=O)[C@H]1CN(C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000659861757 487880188 /nfs/dbraw/zinc/88/01/88/487880188.db2.gz HIRWDCWTJCHUIT-LMLFDSFASA-N 0 3 224.304 0.219 20 0 BCADHN NC1(C(=O)N2CCOCC2)CC2(CCC2)C1 ZINC000659271455 487880776 /nfs/dbraw/zinc/88/07/76/487880776.db2.gz QLUACQGEENMXNO-UHFFFAOYSA-N 0 3 224.304 0.507 20 0 BCADHN COC[C@](C)(CO)NC[C@H]1CCCO1 ZINC000053199879 487884074 /nfs/dbraw/zinc/88/40/74/487884074.db2.gz RGDBPVMPZPZFNV-ZJUUUORDSA-N 0 3 203.282 0.152 20 0 BCADHN CC(C)[C@H](C(=O)N1CCCOCC1)N(C)C ZINC000334458398 487884196 /nfs/dbraw/zinc/88/41/96/487884196.db2.gz RACGSWGXNGOHSP-LLVKDONJSA-N 0 3 228.336 0.822 20 0 BCADHN COCCN1CCN(CCO)C(C)(C)C1 ZINC000682034077 487885548 /nfs/dbraw/zinc/88/55/48/487885548.db2.gz CGFACEHVYDKZLL-UHFFFAOYSA-N 0 3 216.325 0.021 20 0 BCADHN CC1(C)CN(CCCF)CCN1CCO ZINC000682037272 487885947 /nfs/dbraw/zinc/88/59/47/487885947.db2.gz BQUBKUOIFFVMQF-UHFFFAOYSA-N 0 3 218.316 0.735 20 0 BCADHN C[C@@H]1CC[C@H](C)N(C(=O)CN2CCNCC2)C1 ZINC000088705635 487887915 /nfs/dbraw/zinc/88/79/15/487887915.db2.gz DOKZKFZMLMPXIC-NEPJUHHUSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@H](CO)CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000682043372 487889554 /nfs/dbraw/zinc/88/95/54/487889554.db2.gz QUXMEBURZPFIHM-RYUDHWBXSA-N 0 3 244.379 0.392 20 0 BCADHN C[C@@H](NCCc1nnnn1C)c1cccc(O)c1 ZINC000669615813 487890284 /nfs/dbraw/zinc/89/02/84/487890284.db2.gz OUTKMNHCEXXXCA-SECBINFHSA-N 0 3 247.302 0.809 20 0 BCADHN Cn1ncc(Cl)c1CNC[C@@H]1C[C@H](F)CN1 ZINC000666948064 487890708 /nfs/dbraw/zinc/89/07/08/487890708.db2.gz SJZHKQFWFAAJFT-YUMQZZPRSA-N 0 3 246.717 0.863 20 0 BCADHN COC[C@H](CN(C)CC(N)=O)C(C)C ZINC000929261330 646041661 /nfs/dbraw/zinc/04/16/61/646041661.db2.gz ISAQFXZKVDSLJI-VIFPVBQESA-N 0 3 202.298 0.322 20 0 BCADHN NC[C@H](NC(=O)c1cocn1)C(F)(F)F ZINC000655516550 487897607 /nfs/dbraw/zinc/89/76/07/487897607.db2.gz VJVGQKDSSNOZCE-YFKPBYRVSA-N 0 3 223.154 0.294 20 0 BCADHN COC[C@H](C)CN1CC[C@@](F)(CO)C1 ZINC000670273775 487897725 /nfs/dbraw/zinc/89/77/25/487897725.db2.gz WZRPUXUDHSBKCK-ZJUUUORDSA-N 0 3 205.273 0.675 20 0 BCADHN CCCn1nccc1CNC[C@@](C)(O)CO ZINC000164851450 487902444 /nfs/dbraw/zinc/90/24/44/487902444.db2.gz OAICEIXBXPWNFB-LLVKDONJSA-N 0 3 227.308 0.126 20 0 BCADHN C[C@H]1COCCCN1CCN1CCCC1=O ZINC000676713911 487902872 /nfs/dbraw/zinc/90/28/72/487902872.db2.gz SGGVYCIIMVNHFB-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN Cc1nn(C)cc1CN(C)CC1CN(C)C1 ZINC000668540028 487905041 /nfs/dbraw/zinc/90/50/41/487905041.db2.gz UITLBMWFCIEFFD-UHFFFAOYSA-N 0 3 222.336 0.722 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NCC[C@@H](C)O)C1 ZINC000666923023 487905849 /nfs/dbraw/zinc/90/58/49/487905849.db2.gz CCCCONFKGGHFHC-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN CCCN1CC[C@H](NC(=O)N(C)CCO)C1 ZINC000666925447 487906385 /nfs/dbraw/zinc/90/63/85/487906385.db2.gz YNHIEEDGEXWLMC-JTQLQIEISA-N 0 3 229.324 0.104 20 0 BCADHN CCC[C@H](O)CC(=O)N1CCCN(C)CC1 ZINC000676734011 487907128 /nfs/dbraw/zinc/90/71/28/487907128.db2.gz GAXYFDRVQQIASR-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN CCCN1CC[C@H](NC(=O)NCCCO)C1 ZINC000666930144 487906989 /nfs/dbraw/zinc/90/69/89/487906989.db2.gz YGQCUWJBTGWEMZ-JTQLQIEISA-N 0 3 229.324 0.152 20 0 BCADHN CCn1ccnc1CN[C@H]1CNCCC1(F)F ZINC000666925956 487907467 /nfs/dbraw/zinc/90/74/67/487907467.db2.gz JTBZYOWKGCTEQZ-VIFPVBQESA-N 0 3 244.289 0.990 20 0 BCADHN CN(CCN1CCCCC1)[C@H]1CCCNC1=O ZINC000682092988 487908524 /nfs/dbraw/zinc/90/85/24/487908524.db2.gz HVHLFUHICCFXHO-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN CCC[C@H](C)NC(=O)NC[C@@H]1CNCCO1 ZINC000668541260 487911133 /nfs/dbraw/zinc/91/11/33/487911133.db2.gz KVWICZSGXKSKOA-UWVGGRQHSA-N 0 3 229.324 0.463 20 0 BCADHN CCC[C@@H](C)NC(=O)NC[C@H]1CNCCO1 ZINC000668541259 487911519 /nfs/dbraw/zinc/91/15/19/487911519.db2.gz KVWICZSGXKSKOA-NXEZZACHSA-N 0 3 229.324 0.463 20 0 BCADHN CCC[C@@H](O)CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000676741665 487912058 /nfs/dbraw/zinc/91/20/58/487912058.db2.gz HEHSTTVQSDORPR-ZYHUDNBSSA-N 0 3 240.347 0.890 20 0 BCADHN CCC[C@H](O)CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000676741663 487912451 /nfs/dbraw/zinc/91/24/51/487912451.db2.gz HEHSTTVQSDORPR-PWSUYJOCSA-N 0 3 240.347 0.890 20 0 BCADHN Cc1cn[nH]c1CN1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000668542444 487914632 /nfs/dbraw/zinc/91/46/32/487914632.db2.gz AMOALSKBQUFQMS-QWRGUYRKSA-N 0 3 248.330 0.819 20 0 BCADHN CC(C)NCC(=O)N[C@]1(C)CCOC1 ZINC000229461606 487916015 /nfs/dbraw/zinc/91/60/15/487916015.db2.gz XBZBNXFQTMSDLA-SNVBAGLBSA-N 0 3 200.282 0.280 20 0 BCADHN CN(Cc1ccn(C)c1)C[C@@H]1COCCO1 ZINC000668544794 487919901 /nfs/dbraw/zinc/91/99/01/487919901.db2.gz HHIWYLDQLYHSRZ-GFCCVEGCSA-N 0 3 224.304 0.872 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NCCC(N)=O ZINC000083569509 487921912 /nfs/dbraw/zinc/92/19/12/487921912.db2.gz FKGUVDXCVFDBHA-ZETCQYMHSA-N 0 3 210.281 0.255 20 0 BCADHN Cn1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)n1 ZINC000679351972 487925148 /nfs/dbraw/zinc/92/51/48/487925148.db2.gz GDWIEONUNJYEAJ-JQWIXIFHSA-N 0 3 248.330 0.586 20 0 BCADHN O[C@@H]1CN(CCOCc2ccccc2)C[C@@H]1O ZINC000210258069 487926319 /nfs/dbraw/zinc/92/63/19/487926319.db2.gz GLAYJSGZXQLNNL-BETUJISGSA-N 0 3 237.299 0.241 20 0 BCADHN CC(C)NC(=O)CCN1CCc2cn[nH]c2C1 ZINC000676792498 487929165 /nfs/dbraw/zinc/92/91/65/487929165.db2.gz OSNAWWKNAAEKHV-UHFFFAOYSA-N 0 3 236.319 0.683 20 0 BCADHN c1[nH]nc2c1CCN(C[C@@H]1CCOC1)C2 ZINC000676794715 487930266 /nfs/dbraw/zinc/93/02/66/487930266.db2.gz ZHOHWHWTPSYIQW-VIFPVBQESA-N 0 3 207.277 0.804 20 0 BCADHN CN1CCC[C@H](NC(=O)Cc2ccc(N)cn2)C1 ZINC000229612814 487930398 /nfs/dbraw/zinc/93/03/98/487930398.db2.gz UYUMNCHEGGTAHL-LBPRGKRZSA-N 0 3 248.330 0.417 20 0 BCADHN CC[C@H](C(=O)N1CCc2c[nH]nc2C1)N(C)C ZINC000676827356 487934224 /nfs/dbraw/zinc/93/42/24/487934224.db2.gz CFIZYFGLOYIXQL-LLVKDONJSA-N 0 3 236.319 0.635 20 0 BCADHN C[C@@H](CNC(=O)C[C@@H]1CNCCO1)C1CC1 ZINC000158013127 487934165 /nfs/dbraw/zinc/93/41/65/487934165.db2.gz SJVIOKRLCJOCKQ-GXSJLCMTSA-N 0 3 226.320 0.527 20 0 BCADHN CCOC[C@H](C)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000668560803 487934330 /nfs/dbraw/zinc/93/43/30/487934330.db2.gz HUEZGPLKXXDCPL-GARJFASQSA-N 0 3 249.376 0.967 20 0 BCADHN COCCNCC(=O)NC[C@H](C)C1CC1 ZINC000158016925 487935438 /nfs/dbraw/zinc/93/54/38/487935438.db2.gz VGDJRJATZAARBB-VIFPVBQESA-N 0 3 214.309 0.385 20 0 BCADHN C[C@H](N[C@@H]1CCCNC(=O)C1)c1cn[nH]c1 ZINC000229671398 487935536 /nfs/dbraw/zinc/93/55/36/487935536.db2.gz TXZPGAKXHSCGOK-WCBMZHEXSA-N 0 3 222.292 0.729 20 0 BCADHN Cc1noc(CCNC(=O)[C@H](N)CC(C)C)n1 ZINC000154047680 487935982 /nfs/dbraw/zinc/93/59/82/487935982.db2.gz NXROAIZDMQVHQD-SECBINFHSA-N 0 3 240.307 0.410 20 0 BCADHN O=C(NCC1=CCCC1)NC[C@@H]1CNCCO1 ZINC000659555608 487936273 /nfs/dbraw/zinc/93/62/73/487936273.db2.gz RXWDBZHBTAHXME-NSHDSACASA-N 0 3 239.319 0.384 20 0 BCADHN CC[C@H](COC)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000668561526 487936691 /nfs/dbraw/zinc/93/66/91/487936691.db2.gz PJOSZVJNJVTRTL-HBNTYKKESA-N 0 3 249.376 0.967 20 0 BCADHN COC(=O)C[C@H](NC(=O)CN)C1CCCCC1 ZINC000490920889 533704046 /nfs/dbraw/zinc/70/40/46/533704046.db2.gz YHVGATXHJXNZPD-JTQLQIEISA-N 0 3 242.319 0.573 20 0 BCADHN CC(C)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000668561977 487936962 /nfs/dbraw/zinc/93/69/62/487936962.db2.gz UJSMWBGYYCQSAA-IUCAKERBSA-N 0 3 205.323 0.950 20 0 BCADHN CC(C)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000668561976 487937085 /nfs/dbraw/zinc/93/70/85/487937085.db2.gz UJSMWBGYYCQSAA-DTWKUNHWSA-N 0 3 205.323 0.950 20 0 BCADHN Cc1cccn2c(CNC[C@@](C)(O)CO)cnc12 ZINC000684536899 487937108 /nfs/dbraw/zinc/93/71/08/487937108.db2.gz ZNEJVTCVAYTNAB-CYBMUJFWSA-N 0 3 249.314 0.476 20 0 BCADHN CCC[C@H](O)CC(=O)NCCN(C)C ZINC000676867673 487938342 /nfs/dbraw/zinc/93/83/42/487938342.db2.gz AHHMELZRPZOJJH-VIFPVBQESA-N 0 3 202.298 0.215 20 0 BCADHN Cc1cc(C(=O)N2CCNCC2(C)C)on1 ZINC000083842496 487942113 /nfs/dbraw/zinc/94/21/13/487942113.db2.gz FVFNEOBWTXCJTN-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN C[C@]12COC[C@@H]1CN(CCn1cncn1)C2 ZINC000661704413 487948796 /nfs/dbraw/zinc/94/87/96/487948796.db2.gz LRQREEFIXNRXDC-QWRGUYRKSA-N 0 3 222.292 0.246 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1CC12CCC2 ZINC000676998304 487952271 /nfs/dbraw/zinc/95/22/71/487952271.db2.gz 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238.331 0.942 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)c1cnn(C)c1 ZINC000125108920 323000627 /nfs/dbraw/zinc/00/06/27/323000627.db2.gz JSAOTGYUOHZCJM-SNVBAGLBSA-N 0 3 238.335 0.938 20 0 BCADHN CC1(C)C[N@H+](Cc2ncccc2[O-])C[C@@H]1O ZINC000569625952 323000898 /nfs/dbraw/zinc/00/08/98/323000898.db2.gz WUGPFEOTVDONDE-NSHDSACASA-N 0 3 222.288 0.990 20 0 BCADHN CC1(C)C[N@@H+](Cc2ncccc2[O-])C[C@@H]1O ZINC000569625952 323000899 /nfs/dbraw/zinc/00/08/99/323000899.db2.gz WUGPFEOTVDONDE-NSHDSACASA-N 0 3 222.288 0.990 20 0 BCADHN COC(=O)[C@](C)(O)CN[C@H]1CCO[C@H]1C1CC1 ZINC000300622319 323001360 /nfs/dbraw/zinc/00/13/60/323001360.db2.gz CPYPBXCWHFPZTI-JBLDHEPKSA-N 0 3 243.303 0.068 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)COC[C@H]1CCCO1 ZINC000561769851 323006787 /nfs/dbraw/zinc/00/67/87/323006787.db2.gz MBPNDFWIRNBOCW-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN COC(=O)CC1(NC[C@H]2COCCO2)CC1 ZINC000565051986 323007401 /nfs/dbraw/zinc/00/74/01/323007401.db2.gz TYVUKZHGYXGTSY-VIFPVBQESA-N 0 3 229.276 0.087 20 0 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Cc1cc(CN)cc(NC(=O)N[C@H](C)CO)c1 ZINC000424438587 323860034 /nfs/dbraw/zinc/86/00/34/323860034.db2.gz QEEXTTNKNINAOF-SECBINFHSA-N 0 3 237.303 0.956 20 0 BCADHN O=C(NCCN1CCCC1)c1cccnc1 ZINC000055178011 323891039 /nfs/dbraw/zinc/89/10/39/323891039.db2.gz JMLZHEXMXDHAPT-UHFFFAOYSA-N 0 3 219.288 0.907 20 0 BCADHN CN1CCC[C@H](CNC(=O)NCCCF)C1 ZINC000121521802 324016296 /nfs/dbraw/zinc/01/62/96/324016296.db2.gz DJOGKIBMXVAXQD-SNVBAGLBSA-N 0 3 231.315 0.987 20 0 BCADHN CNC(=O)C(C)(C)CNC(=O)CN(C)C(C)C ZINC000122136031 324029829 /nfs/dbraw/zinc/02/98/29/324029829.db2.gz XSRROZVMVIFJOA-UHFFFAOYSA-N 0 3 243.351 0.215 20 0 BCADHN C[C@@H](CC(N)=O)NCCNC(=O)OC(C)(C)C ZINC000122146454 324031096 /nfs/dbraw/zinc/03/10/96/324031096.db2.gz PVDBIMVHQYHMIX-QMMMGPOBSA-N 0 3 245.323 0.365 20 0 BCADHN CC(C)N(CC(=O)N1CCN(C)CC1)C1CC1 ZINC000093159167 324037148 /nfs/dbraw/zinc/03/71/48/324037148.db2.gz NBCDCKWVFUABRL-UHFFFAOYSA-N 0 3 239.363 0.633 20 0 BCADHN CCN(CC)CC(=O)NC(=O)N[C@H](C)COC ZINC000060992215 324054771 /nfs/dbraw/zinc/05/47/71/324054771.db2.gz NHUSICHBQGAOHJ-SECBINFHSA-N 0 3 245.323 0.189 20 0 BCADHN CN1CC[C@@H](C(=O)Nc2cnccc2CO)C1 ZINC000537501979 324077634 /nfs/dbraw/zinc/07/76/34/324077634.db2.gz PLIRSVGIZCYTRO-SECBINFHSA-N 0 3 235.287 0.464 20 0 BCADHN CN(C)[C@H]1CCCN([C@@H]2CCCN(C)C2=O)C1 ZINC000537610033 324087101 /nfs/dbraw/zinc/08/71/01/324087101.db2.gz OQPJAMQXEGNDFR-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000572474950 324114551 /nfs/dbraw/zinc/11/45/51/324114551.db2.gz HYKAAGNXRDNSNO-LBPRGKRZSA-N 0 3 249.314 0.957 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000572474949 324114558 /nfs/dbraw/zinc/11/45/58/324114558.db2.gz HYKAAGNXRDNSNO-GFCCVEGCSA-N 0 3 249.314 0.957 20 0 BCADHN CO[C@@H]1COC[C@H]1NCc1c[nH]c2nccnc12 ZINC000572484290 324125585 /nfs/dbraw/zinc/12/55/85/324125585.db2.gz NNGILNXLZBJVCW-NXEZZACHSA-N 0 3 248.286 0.413 20 0 BCADHN CC[C@H](C)[C@@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000572519552 324178749 /nfs/dbraw/zinc/17/87/49/324178749.db2.gz MKAFZVYZCVIYCI-QJPTWQEYSA-N 0 3 241.379 0.770 20 0 BCADHN C[C@@H](O)CN1CCOCC2(CCOCC2)C1 ZINC000192793880 324200789 /nfs/dbraw/zinc/20/07/89/324200789.db2.gz QDRCMTYZFFCPPW-LLVKDONJSA-N 0 3 229.320 0.496 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H]1CCCN1C ZINC000195316612 324202284 /nfs/dbraw/zinc/20/22/84/324202284.db2.gz YOBAFWSYEHFQDR-LLVKDONJSA-N 0 3 227.352 0.537 20 0 BCADHN CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)N)C(=O)OC ZINC000037044924 324227425 /nfs/dbraw/zinc/22/74/25/324227425.db2.gz UEWPOYCHGCGVJS-BWZBUEFSSA-N 0 3 216.281 0.038 20 0 BCADHN C[C@H](NC(=O)c1cccnn1)C1=CCN(C)CC1 ZINC000528997207 324229745 /nfs/dbraw/zinc/22/97/45/324229745.db2.gz WXFRAOFJECKGKO-JTQLQIEISA-N 0 3 246.314 0.857 20 0 BCADHN Cc1cncn1CC(=O)NCCN1CC=CCC1 ZINC000529222362 324262335 /nfs/dbraw/zinc/26/23/35/324262335.db2.gz MBUXHLUAMMQGGO-UHFFFAOYSA-N 0 3 248.330 0.570 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CS[C@@H](C)C1 ZINC000227506589 487962751 /nfs/dbraw/zinc/96/27/51/487962751.db2.gz BIOMLZICFDWTNZ-HRDYMLBCSA-N 0 3 237.390 0.903 20 0 BCADHN Cc1ncccc1CNC(=O)N1CCCNCC1 ZINC000529370575 324281466 /nfs/dbraw/zinc/28/14/66/324281466.db2.gz QMHKWEGGUYYXGP-UHFFFAOYSA-N 0 3 248.330 0.895 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cccnn1 ZINC000529387473 324285497 /nfs/dbraw/zinc/28/54/97/324285497.db2.gz OYAMYCQERMUOTB-QMMMGPOBSA-N 0 3 208.265 0.157 20 0 BCADHN C[C@]1(CNCc2ccc(F)cn2)CCC(=O)N1 ZINC000529603265 324360845 /nfs/dbraw/zinc/36/08/45/324360845.db2.gz VAFJCJAPAPJTSD-GFCCVEGCSA-N 0 3 237.278 0.979 20 0 BCADHN O[C@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@@H]1O ZINC000529643249 324370669 /nfs/dbraw/zinc/37/06/69/324370669.db2.gz YHAIASDKTCMBQD-STQMWFEESA-N 0 3 232.283 0.705 20 0 BCADHN O=C(CO)NC[C@@H]1CCN1C1CCCCC1 ZINC000529724164 324389961 /nfs/dbraw/zinc/38/99/61/324389961.db2.gz XOWYFFANBYKGCH-NSHDSACASA-N 0 3 226.320 0.502 20 0 BCADHN C[C@H](CNCC12CC(C1)CO2)S(C)(=O)=O ZINC000530240534 324552583 /nfs/dbraw/zinc/55/25/83/324552583.db2.gz DGJSTPNSEHIYCU-XNWIYYODSA-N 0 3 233.333 0.188 20 0 BCADHN CN1C(=O)c2ccccc2[C@H]1CNCCC(N)=O ZINC000530241418 324553980 /nfs/dbraw/zinc/55/39/80/324553980.db2.gz DTRZZRDDVGNNLS-LLVKDONJSA-N 0 3 247.298 0.278 20 0 BCADHN Cc1ccncc1CNC[C@H]1COCCN1 ZINC000530247559 324557888 /nfs/dbraw/zinc/55/78/88/324557888.db2.gz WPAXZOBOEUQKQO-LBPRGKRZSA-N 0 3 221.304 0.468 20 0 BCADHN CCCN(C)S(=O)(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000123898244 324605011 /nfs/dbraw/zinc/60/50/11/324605011.db2.gz BHTUAPZOSLBCAG-NXEZZACHSA-N 0 3 249.380 0.255 20 0 BCADHN CN1CCC(NC(=O)C2(O)CCCCC2)CC1 ZINC000127916894 324794322 /nfs/dbraw/zinc/79/43/22/324794322.db2.gz JNTYQFAGMYAMLI-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN CNCC(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000083911818 487965457 /nfs/dbraw/zinc/96/54/57/487965457.db2.gz PSMWIQUHXMWXSG-UHFFFAOYSA-N 0 3 247.298 0.081 20 0 BCADHN CN(CCO)CCN(C)C(=O)OC(C)(C)C ZINC000129998963 325002402 /nfs/dbraw/zinc/00/24/02/325002402.db2.gz CRJFGVZDTYUCSC-UHFFFAOYSA-N 0 3 232.324 0.777 20 0 BCADHN C[C@H](CNC(=O)c1cc[nH]c(=O)c1)N1CCCC1 ZINC000230190929 325009973 /nfs/dbraw/zinc/00/99/73/325009973.db2.gz CFPNMCAVEKURQU-SNVBAGLBSA-N 0 3 249.314 0.589 20 0 BCADHN CCN(C)C(=O)CCN1CCN(C)CC1 ZINC000130112347 325015042 /nfs/dbraw/zinc/01/50/42/325015042.db2.gz HBQMQFHZGLRKFV-UHFFFAOYSA-N 0 3 213.325 0.102 20 0 BCADHN Cc1nnc(NC(=O)[C@H]2CCN(C)C2)n1C ZINC000542440728 325027004 /nfs/dbraw/zinc/02/70/04/325027004.db2.gz BIPCCNIIEFUFBQ-QMMMGPOBSA-N 0 3 223.280 0.014 20 0 BCADHN CN(C)CCNC(=O)Cc1ccc2c(c1)COC2 ZINC000542635307 325037715 /nfs/dbraw/zinc/03/77/15/325037715.db2.gz WKNUSVQQARKEGM-UHFFFAOYSA-N 0 3 248.326 0.937 20 0 BCADHN CC[C@@H](NCCCC(=O)NC)c1ccn(C)n1 ZINC000542669527 325040040 /nfs/dbraw/zinc/04/00/40/325040040.db2.gz LKOLTFLZXHLZKO-SNVBAGLBSA-N 0 3 238.335 0.987 20 0 BCADHN CN(CCC(=O)NCCO)c1ccncc1 ZINC000542787844 325048121 /nfs/dbraw/zinc/04/81/21/325048121.db2.gz YVXKEURZODZMEQ-UHFFFAOYSA-N 0 3 223.276 0.016 20 0 BCADHN CC[C@@H](CCO)CNC(=O)CN(CC)CC ZINC000130399545 325048804 /nfs/dbraw/zinc/04/88/04/325048804.db2.gz IACYTRJZPSJLBR-NSHDSACASA-N 0 3 230.352 0.853 20 0 BCADHN Cc1nnc(CNC(=O)CN(C)C(C)C)s1 ZINC000542814974 325051671 /nfs/dbraw/zinc/05/16/71/325051671.db2.gz NWYUYNBPFPGATM-UHFFFAOYSA-N 0 3 242.348 0.803 20 0 BCADHN C[C@H](C(N)=O)N1CCc2ccccc2CC1 ZINC000071202985 325061742 /nfs/dbraw/zinc/06/17/42/325061742.db2.gz BPCDOUOHSMWFHU-SNVBAGLBSA-N 0 3 218.300 0.961 20 0 BCADHN CC[C@@H](NC[C@@H](O)CN(C)C)c1ccn(C)n1 ZINC000543601725 325096696 /nfs/dbraw/zinc/09/66/96/325096696.db2.gz JZSZYRUCEHUGHZ-GHMZBOCLSA-N 0 3 240.351 0.383 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H](C)[C@@H](C)CO)N(C)C ZINC000131180467 325123969 /nfs/dbraw/zinc/12/39/69/325123969.db2.gz DTNMIDYHGGCRAN-DCAQKATOSA-N 0 3 230.352 0.706 20 0 BCADHN CC[C@@H]1CCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000131269105 325133630 /nfs/dbraw/zinc/13/36/30/325133630.db2.gz NFFOYTGZUIQMGI-RKDXNWHRSA-N 0 3 233.333 0.678 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC000131441762 325151467 /nfs/dbraw/zinc/15/14/67/325151467.db2.gz NIFSSIVDHVAWJW-NXEZZACHSA-N 0 3 244.335 0.642 20 0 BCADHN O=c1cc(CN[C@H]2CCOC2)nc2ccccn12 ZINC000131485884 325155885 /nfs/dbraw/zinc/15/58/85/325155885.db2.gz CONKAZWCTYOVEU-JTQLQIEISA-N 0 3 245.282 0.573 20 0 BCADHN CN1CC=C(CNc2cncc3nncn32)CC1 ZINC000544847718 325163575 /nfs/dbraw/zinc/16/35/75/325163575.db2.gz WHBIBGXZNXVOGC-UHFFFAOYSA-N 0 3 244.302 0.798 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2cncnc2)C1 ZINC000544877689 325164798 /nfs/dbraw/zinc/16/47/98/325164798.db2.gz BVWCFJMRAKTPRH-JTQLQIEISA-N 0 3 234.303 0.548 20 0 BCADHN CC(C)C1CCN([C@H](C)C(=O)NC(N)=O)CC1 ZINC000072717589 325169696 /nfs/dbraw/zinc/16/96/96/325169696.db2.gz BKUJCNIQJGQXIW-SECBINFHSA-N 0 3 241.335 0.938 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)CCO)N(C)C ZINC000131619801 325170947 /nfs/dbraw/zinc/17/09/47/325170947.db2.gz DJEUFNHUYYJSSI-VIFPVBQESA-N 0 3 202.298 0.023 20 0 BCADHN CNC(=O)NC(=O)CN(CC(C)C)C(C)C ZINC000073510206 325202988 /nfs/dbraw/zinc/20/29/88/325202988.db2.gz BDNVGVATCUDPTK-UHFFFAOYSA-N 0 3 229.324 0.808 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCCF ZINC000132323395 325210946 /nfs/dbraw/zinc/21/09/46/325210946.db2.gz XPUHBSMFDHNFBA-MRVPVSSYSA-N 0 3 211.302 0.759 20 0 BCADHN CCN(CC)CC(=O)NCc1ccc[nH]1 ZINC000074128087 325227657 /nfs/dbraw/zinc/22/76/57/325227657.db2.gz YENUEBLVWWTHQB-UHFFFAOYSA-N 0 3 209.293 0.973 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@]1(C)CO ZINC000546112279 325266273 /nfs/dbraw/zinc/26/62/73/325266273.db2.gz NLIAAKDTXOLYNJ-GFCCVEGCSA-N 0 3 228.336 0.702 20 0 BCADHN CC(C)COCCCNC(=O)NCCN(C)C ZINC000133367433 325290906 /nfs/dbraw/zinc/29/09/06/325290906.db2.gz LVSARMOSPHVHQN-UHFFFAOYSA-N 0 3 245.367 0.910 20 0 BCADHN Cc1ncc(CNC(=O)NCCN(C)C)s1 ZINC000133523399 325298870 /nfs/dbraw/zinc/29/88/70/325298870.db2.gz CDPXEKPAYLGELE-UHFFFAOYSA-N 0 3 242.348 0.812 20 0 BCADHN CC[C@H](CO)N1CCN(CCOC)CC1 ZINC000075958337 325323657 /nfs/dbraw/zinc/32/36/57/325323657.db2.gz XBQRKIDPJCXAAV-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN COC(C)(C)CN[C@H](C)CS(C)(=O)=O ZINC000133885340 325326701 /nfs/dbraw/zinc/32/67/01/325326701.db2.gz JHJCEVQRNHHESS-MRVPVSSYSA-N 0 3 223.338 0.434 20 0 BCADHN COC(C)(C)CN[C@@H](C)CS(C)(=O)=O ZINC000133885124 325326837 /nfs/dbraw/zinc/32/68/37/325326837.db2.gz JHJCEVQRNHHESS-QMMMGPOBSA-N 0 3 223.338 0.434 20 0 BCADHN CS[C@@H](C)CNC(=O)NCCN(C)C ZINC000133931576 325331971 /nfs/dbraw/zinc/33/19/71/325331971.db2.gz ZVGXWAHSACGBMI-QMMMGPOBSA-N 0 3 219.354 0.599 20 0 BCADHN COCC(C)(C)NCC(=O)NCC1CC1 ZINC000076494654 325346827 /nfs/dbraw/zinc/34/68/27/325346827.db2.gz YKKPCGFJLYFIDJ-UHFFFAOYSA-N 0 3 214.309 0.527 20 0 BCADHN CO[C@H]1CCCN([C@@H](C)C(=O)N(C)C)C1 ZINC000076497974 325347374 /nfs/dbraw/zinc/34/73/74/325347374.db2.gz FMRZRTBSQXOGLN-UWVGGRQHSA-N 0 3 214.309 0.574 20 0 BCADHN CC(C)N(C)C(=O)CN[C@@H]1CCO[C@@H]1C ZINC000134544252 325365026 /nfs/dbraw/zinc/36/50/26/325365026.db2.gz LKTZGMBGQVZMIM-NXEZZACHSA-N 0 3 214.309 0.620 20 0 BCADHN COCCCNC(=O)[C@H](C)N(C)CC1CC1 ZINC000077194624 325368552 /nfs/dbraw/zinc/36/85/52/325368552.db2.gz KHSVRSJSVIVXOE-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN Cc1cc(C(=O)NC[C@H]2CCCN2C)ncn1 ZINC000134625511 325368697 /nfs/dbraw/zinc/36/86/97/325368697.db2.gz WXTHTDSOUUTKPQ-SNVBAGLBSA-N 0 3 234.303 0.609 20 0 BCADHN CN(C)C[C@@H](Cc1ccccc1)NC(N)=O ZINC000077632854 325385710 /nfs/dbraw/zinc/38/57/10/325385710.db2.gz APMACGKFWFEHKX-LLVKDONJSA-N 0 3 221.304 0.828 20 0 BCADHN CC(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000552154987 325601558 /nfs/dbraw/zinc/60/15/58/325601558.db2.gz AXGGBEHZHLGNKP-UWVGGRQHSA-N 0 3 214.309 0.166 20 0 BCADHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(N)=O ZINC000251016536 325671961 /nfs/dbraw/zinc/67/19/61/325671961.db2.gz BALBSOQZJDENRJ-JQCXWYLXSA-N 0 3 212.293 0.263 20 0 BCADHN CN1CCC[C@H](N2CCC(O)CC2)C1=O ZINC000554372314 325716619 /nfs/dbraw/zinc/71/66/19/325716619.db2.gz YSUCAHRHPZMVEV-JTQLQIEISA-N 0 3 212.293 0.064 20 0 BCADHN COc1ccnc(NC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000564935013 325829059 /nfs/dbraw/zinc/82/90/59/325829059.db2.gz KLFIEGAZXQKAES-SFYZADRCSA-N 0 3 207.233 0.376 20 0 BCADHN C[C@H]1C[C@H](NCc2cnc3cnccn23)CO1 ZINC000564960660 325835824 /nfs/dbraw/zinc/83/58/24/325835824.db2.gz FRIOYBXZGUBUBS-UWVGGRQHSA-N 0 3 232.287 0.996 20 0 BCADHN C[C@H](c1ccccc1)[C@@H](O)CNC[C@H](O)CO ZINC000564974005 325837414 /nfs/dbraw/zinc/83/74/14/325837414.db2.gz AVJLNIKWWRALCI-WXHSDQCUSA-N 0 3 239.315 0.094 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000565251754 325887671 /nfs/dbraw/zinc/88/76/71/325887671.db2.gz WFLZYFWKFCCWMY-CPCISQLKSA-N 0 3 219.288 0.720 20 0 BCADHN Cc1csc(CN2C[C@H](O)[C@@H](N(C)C)C2)n1 ZINC000565400579 325905230 /nfs/dbraw/zinc/90/52/30/325905230.db2.gz LOLFOUAEDQGPRY-UWVGGRQHSA-N 0 3 241.360 0.558 20 0 BCADHN COC[C@H](C)CN[C@@H]1CNCCC1(F)F ZINC000565468214 325914032 /nfs/dbraw/zinc/91/40/32/325914032.db2.gz FSZLPXWWOXTSJR-RKDXNWHRSA-N 0 3 222.279 0.856 20 0 BCADHN C[C@@H](O)CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1N ZINC000565475272 325915654 /nfs/dbraw/zinc/91/56/54/325915654.db2.gz JHFVDQPJMXTICZ-RTXFEEFZSA-N 0 3 248.326 0.743 20 0 BCADHN C[C@@H]1CN(C(=O)c2coc(CN)c2)CCN1 ZINC000565538291 325924788 /nfs/dbraw/zinc/92/47/88/325924788.db2.gz NSSAYJKWFBWXKI-MRVPVSSYSA-N 0 3 223.276 0.172 20 0 BCADHN C[C@H](O)CNCc1ccc(C(=O)N(C)C)cc1 ZINC000565592996 325931588 /nfs/dbraw/zinc/93/15/88/325931588.db2.gz BFHHPYCGHFKEFC-JTQLQIEISA-N 0 3 236.315 0.859 20 0 BCADHN COC(C)(C)CNC[C@H](C)S(C)(=O)=O ZINC000565653249 325938807 /nfs/dbraw/zinc/93/88/07/325938807.db2.gz DGGRNDHOCNHLRO-QMMMGPOBSA-N 0 3 223.338 0.434 20 0 BCADHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000309466290 487971306 /nfs/dbraw/zinc/97/13/06/487971306.db2.gz VWVZWUFSWAUXRX-MRVPVSSYSA-N 0 3 246.307 0.712 20 0 BCADHN C[C@H](CN[C@H]1CCO[C@H]1C1CC1)S(C)(=O)=O ZINC000566111249 325996968 /nfs/dbraw/zinc/99/69/68/325996968.db2.gz CEIQJVAGXSYPMG-MIMYLULJSA-N 0 3 247.360 0.577 20 0 BCADHN Cc1ccccc1C(=O)N[C@@H](CO)CN(C)C ZINC000673520543 487971334 /nfs/dbraw/zinc/97/13/34/487971334.db2.gz GFMILQSENPVZSS-LLVKDONJSA-N 0 3 236.315 0.647 20 0 BCADHN CC(C)(C)C(=O)NCCNC(=O)C1(N)CCC1 ZINC000566181307 326007977 /nfs/dbraw/zinc/00/79/77/326007977.db2.gz SCUSPENKKDEWLP-UHFFFAOYSA-N 0 3 241.335 0.146 20 0 BCADHN Cc1nc2ccc(NC(=O)CNC3CC3)cn2n1 ZINC000566197927 326011194 /nfs/dbraw/zinc/01/11/94/326011194.db2.gz UPRPTXVFCDUAEP-UHFFFAOYSA-N 0 3 245.286 0.728 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000566198094 326011259 /nfs/dbraw/zinc/01/12/59/326011259.db2.gz XHBUXQYRJCBDIE-MRVPVSSYSA-N 0 3 245.286 0.768 20 0 BCADHN CC[C@H](N)C(=O)N1CCNC[C@@H]1c1ccncc1 ZINC000566248550 326023593 /nfs/dbraw/zinc/02/35/93/326023593.db2.gz DMVSEYBCDXZTHA-NWDGAFQWSA-N 0 3 248.330 0.292 20 0 BCADHN CC[C@H](SC)C(=O)N1CCN(C)C[C@@H]1CN ZINC000566289916 326029845 /nfs/dbraw/zinc/02/98/45/326029845.db2.gz NSTKCUUOFVHCCZ-UWVGGRQHSA-N 0 3 245.392 0.229 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CC(n3ccnc3)C2)C1 ZINC000566441634 326047584 /nfs/dbraw/zinc/04/75/84/326047584.db2.gz IFOHUOYZBQTAKT-NSHDSACASA-N 0 3 248.330 0.608 20 0 BCADHN CCCN(C)CC(=O)N1CCN(C)C(C)(C)C1 ZINC000566461032 326051248 /nfs/dbraw/zinc/05/12/48/326051248.db2.gz NTBAMGIFJLDLDS-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN N[C@@H]1C[C@H]2CN(Cc3ccccc3)CCN2C1=O ZINC000566491382 326058148 /nfs/dbraw/zinc/05/81/48/326058148.db2.gz SOCGYPOKWCGMNB-QWHCGFSZSA-N 0 3 245.326 0.430 20 0 BCADHN CCN1C[C@H](C)N(C(=O)CN(C)C)[C@@H](C)C1 ZINC000566570267 326065213 /nfs/dbraw/zinc/06/52/13/326065213.db2.gz GPISUDVFHLTUID-QWRGUYRKSA-N 0 3 227.352 0.489 20 0 BCADHN C[C@@H](Cn1cncn1)NC[C@@H](O)C(F)(F)F ZINC000566615031 326067952 /nfs/dbraw/zinc/06/79/52/326067952.db2.gz DQWIYOVRXFSVJT-NKWVEPMBSA-N 0 3 238.213 0.179 20 0 BCADHN CNCC(=O)NCc1ccc(OC)cc1C ZINC000566619094 326068495 /nfs/dbraw/zinc/06/84/95/326068495.db2.gz UBWJWACKVDNKKD-UHFFFAOYSA-N 0 3 222.288 0.839 20 0 BCADHN Cc1ncc(CN[C@H](C)CC(N)=O)n1C ZINC000566631765 326070856 /nfs/dbraw/zinc/07/08/56/326070856.db2.gz XHJUSZWIXKKZHG-SSDOTTSWSA-N 0 3 210.281 0.082 20 0 BCADHN CC[C@@H](C(=O)NCCCc1nnc[n-]1)[NH+](C)C ZINC000566744684 326079495 /nfs/dbraw/zinc/07/94/95/326079495.db2.gz GRTGBJXHTMGAMI-VIFPVBQESA-N 0 3 239.323 0.194 20 0 BCADHN CC[C@@H](C(=O)NCCCc1nnc[nH]1)N(C)C ZINC000566744684 326079497 /nfs/dbraw/zinc/07/94/97/326079497.db2.gz GRTGBJXHTMGAMI-VIFPVBQESA-N 0 3 239.323 0.194 20 0 BCADHN C[C@@H](CN[C@H]1CSC[C@H]1C)S(C)(=O)=O ZINC000566910145 326090906 /nfs/dbraw/zinc/09/09/06/326090906.db2.gz FYIOWUZZRVUEGZ-VGMNWLOBSA-N 0 3 237.390 0.761 20 0 BCADHN CC(C)N1CC[C@@H](N[C@@H](C)[C@H](C)O)C1=O ZINC000566911076 326093061 /nfs/dbraw/zinc/09/30/61/326093061.db2.gz SNEOOEOTINGUFQ-LPEHRKFASA-N 0 3 214.309 0.355 20 0 BCADHN CC[C@H](NC[C@H](C)S(C)(=O)=O)[C@@H](C)O ZINC000566914903 326094034 /nfs/dbraw/zinc/09/40/34/326094034.db2.gz DQBYQEIATIENLS-YIZRAAEISA-N 0 3 223.338 0.169 20 0 BCADHN O=C(NCc1cc[nH]n1)C1CCN(C2CC2)CC1 ZINC000566933659 326095724 /nfs/dbraw/zinc/09/57/24/326095724.db2.gz 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20 0 BCADHN CN[C@@H](C)C(=O)NCC1(CCO)CCCC1 ZINC000567178355 326130512 /nfs/dbraw/zinc/13/05/12/326130512.db2.gz GNIMTCAQQGBOKI-JTQLQIEISA-N 0 3 228.336 0.653 20 0 BCADHN C[C@H]1CCCN1CC(=O)N1CCN(C)CC1 ZINC000154426880 326143589 /nfs/dbraw/zinc/14/35/89/326143589.db2.gz VDXPVNZOYGRDHK-NSHDSACASA-N 0 3 225.336 0.245 20 0 BCADHN CCN(C(=O)NC[C@@H]1CNCCO1)C1CCC1 ZINC000567249270 326150819 /nfs/dbraw/zinc/15/08/19/326150819.db2.gz MGMGWPVVGVORCO-NSHDSACASA-N 0 3 241.335 0.559 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCn1cnnc1C ZINC000154585231 326151932 /nfs/dbraw/zinc/15/19/32/326151932.db2.gz IIQINTLXKYXPIN-SNVBAGLBSA-N 0 3 239.323 0.220 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@@]1(C)CCCO1 ZINC000154608087 326152926 /nfs/dbraw/zinc/15/29/26/326152926.db2.gz WHUBFLOWVJUBED-ZYHUDNBSSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](NC[C@]1(O)CCN(C)C1)c1cscn1 ZINC000309526792 326157559 /nfs/dbraw/zinc/15/75/59/326157559.db2.gz CRPMWTYFVSVILR-MWLCHTKSSA-N 0 3 241.360 0.860 20 0 BCADHN C[C@@](O)(CNC[C@H]1COCCO1)C(F)(F)F ZINC000309728419 326162648 /nfs/dbraw/zinc/16/26/48/326162648.db2.gz DSMPNINHVJBAKE-JGVFFNPUSA-N 0 3 243.225 0.305 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCCOC2)C1 ZINC000567365653 326175391 /nfs/dbraw/zinc/17/53/91/326175391.db2.gz IEMZVVNFAWXNJB-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(CCNC(=O)NC(C)C)CCOC ZINC000567381832 326179941 /nfs/dbraw/zinc/17/99/41/326179941.db2.gz MWEATKZPVRVMHC-UHFFFAOYSA-N 0 3 231.340 0.662 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000567388051 326181685 /nfs/dbraw/zinc/18/16/85/326181685.db2.gz WCABEJNEQXVWJO-IONNQARKSA-N 0 3 208.265 0.420 20 0 BCADHN CO[C@@H](CN)c1nc([C@@H](N)CC(C)C)no1 ZINC000567587647 326220460 /nfs/dbraw/zinc/22/04/60/326220460.db2.gz ZCTJYMPAWZZEKA-YUMQZZPRSA-N 0 3 228.296 0.762 20 0 BCADHN CC[C@@H](N)C(=O)N1CCNC[C@@H]1c1ccncc1 ZINC000567589773 326224784 /nfs/dbraw/zinc/22/47/84/326224784.db2.gz DMVSEYBCDXZTHA-VXGBXAGGSA-N 0 3 248.330 0.292 20 0 BCADHN CN1CCC(NC(=O)c2ccc(N)cn2)CC1 ZINC000156775665 326241994 /nfs/dbraw/zinc/24/19/94/326241994.db2.gz DKBYUAROLJEPFI-UHFFFAOYSA-N 0 3 234.303 0.488 20 0 BCADHN CO[C@@H]([C@H](C)NC[C@@H](C)S(C)(=O)=O)C1CC1 ZINC000567697321 326246901 /nfs/dbraw/zinc/24/69/01/326246901.db2.gz USTKGDDFNNVLDQ-YWVKMMECSA-N 0 3 249.376 0.823 20 0 BCADHN CC(C)NC(=O)NCCN1C[C@@H](O)C(C)(C)C1 ZINC000567771961 326256759 /nfs/dbraw/zinc/25/67/59/326256759.db2.gz XFXMIAYYNRNTBE-SNVBAGLBSA-N 0 3 243.351 0.397 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2occc2N)C1 ZINC000313138968 326257900 /nfs/dbraw/zinc/25/79/00/326257900.db2.gz KGLFGZZBVMRJOL-SECBINFHSA-N 0 3 237.303 0.933 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)Cc1ccncc1 ZINC000567817708 326262684 /nfs/dbraw/zinc/26/26/84/326262684.db2.gz PMFBACNABWRKAN-GXSJLCMTSA-N 0 3 221.304 0.866 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCCN1CCCC1=O ZINC000567842100 326268140 /nfs/dbraw/zinc/26/81/40/326268140.db2.gz PVKGHCRFQITVBJ-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN NCc1noc(-c2ccc3c(c2)CNC3)n1 ZINC000567850365 326270512 /nfs/dbraw/zinc/27/05/12/326270512.db2.gz ZVTQNGHSTYTVCR-UHFFFAOYSA-N 0 3 216.244 0.799 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NC(C)(C)C(C)C ZINC000567890484 326276892 /nfs/dbraw/zinc/27/68/92/326276892.db2.gz WTTRQIMSMSRMBM-VIFPVBQESA-N 0 3 244.335 0.818 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000567902839 326280110 /nfs/dbraw/zinc/28/01/10/326280110.db2.gz MUEYICOLASWMEL-AXFHLTTASA-N 0 3 226.320 0.751 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N(C)CCSC ZINC000567979988 326290417 /nfs/dbraw/zinc/29/04/17/326290417.db2.gz IGQZYBWXTYSKGA-QMMMGPOBSA-N 0 3 248.348 0.088 20 0 BCADHN CN(C(=O)CNCCC(N)=O)C1CCCCC1 ZINC000568078433 326305202 /nfs/dbraw/zinc/30/52/02/326305202.db2.gz RAMJHBMYAYOJLM-UHFFFAOYSA-N 0 3 241.335 0.243 20 0 BCADHN Cn1cncc1CCCN1CCC[C@H](O)C1 ZINC000314648826 326305275 /nfs/dbraw/zinc/30/52/75/326305275.db2.gz VSQCBLVCKWQQSI-LBPRGKRZSA-N 0 3 223.320 0.809 20 0 BCADHN CC[C@@H](C(=O)NCc1nccn1CC)N(C)C ZINC000568107262 326309260 /nfs/dbraw/zinc/30/92/60/326309260.db2.gz HQRMSDQTRIFNFM-JTQLQIEISA-N 0 3 238.335 0.859 20 0 BCADHN CCN1CCN(C(=O)CC(F)(F)CN)CC1 ZINC000568149546 326311324 /nfs/dbraw/zinc/31/13/24/326311324.db2.gz QTNBMINMSHRRSG-UHFFFAOYSA-N 0 3 235.278 0.135 20 0 BCADHN CC[C@H](NC(=O)[C@@H](CN)OC)[C@H]1CCCO1 ZINC000568150602 326313464 /nfs/dbraw/zinc/31/34/64/326313464.db2.gz NQLNRUVZHVDUJI-IVZWLZJFSA-N 0 3 230.308 0.034 20 0 BCADHN C[C@@H](CCCO)NC(=O)CN1CCC(C)(C)C1 ZINC000568196636 326324722 /nfs/dbraw/zinc/32/47/22/326324722.db2.gz IVOJARRTWKSZFL-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCc2ccn(C)c2)C1 ZINC000568197677 326324805 /nfs/dbraw/zinc/32/48/05/326324805.db2.gz GENSROQRVCKKBK-LLVKDONJSA-N 0 3 235.331 0.983 20 0 BCADHN CN(C)CCn1ccc(C(=O)N2CC3(CC3)C2)n1 ZINC000568215301 326327724 /nfs/dbraw/zinc/32/77/24/326327724.db2.gz RILZQOBRQPXQOY-UHFFFAOYSA-N 0 3 248.330 0.681 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cccnc1N(C)C ZINC000568236876 326331706 /nfs/dbraw/zinc/33/17/06/326331706.db2.gz XNSZBBKKZIBIIG-VIFPVBQESA-N 0 3 236.319 0.372 20 0 BCADHN CN(C(=O)CCOC1CNC1)c1nccs1 ZINC000568254182 326335656 /nfs/dbraw/zinc/33/56/56/326335656.db2.gz OQRBJOOLSZWTOQ-UHFFFAOYSA-N 0 3 241.316 0.484 20 0 BCADHN NC1(C(=O)NCc2noc(C3CC3)n2)CCC1 ZINC000568263248 326337191 /nfs/dbraw/zinc/33/71/91/326337191.db2.gz OYMSPSVGVHBFFQ-UHFFFAOYSA-N 0 3 236.275 0.445 20 0 BCADHN NC1(C(=O)NCc2ncccn2)CCCCC1 ZINC000568285860 326341176 /nfs/dbraw/zinc/34/11/76/326341176.db2.gz LCQGNGCETOLWMT-UHFFFAOYSA-N 0 3 234.303 0.754 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](OC)C(C)(C)C ZINC000568293213 326342575 /nfs/dbraw/zinc/34/25/75/326342575.db2.gz JFJOHNMIMKMTLE-DTWKUNHWSA-N 0 3 216.325 0.772 20 0 BCADHN CCNC(=O)N(CCN(C)C)C(C)C ZINC000158892951 326345650 /nfs/dbraw/zinc/34/56/50/326345650.db2.gz PAMALZIYCGGRQQ-UHFFFAOYSA-N 0 3 201.314 0.988 20 0 BCADHN CC(C)NC(=O)NCCN(C)CC[C@@H](C)O ZINC000568385464 326352167 /nfs/dbraw/zinc/35/21/67/326352167.db2.gz GZTGAFLZZBMPQL-SNVBAGLBSA-N 0 3 231.340 0.397 20 0 BCADHN c1c[nH]c(N2CCN(CCc3cn[nH]c3)CC2)n1 ZINC000568527248 326363210 /nfs/dbraw/zinc/36/32/10/326363210.db2.gz SNXRITATQGWFOK-UHFFFAOYSA-N 0 3 246.318 0.498 20 0 BCADHN COC(=O)CC1CC(N[C@H](C)C(=O)N(C)C)C1 ZINC000568618560 326367618 /nfs/dbraw/zinc/36/76/18/326367618.db2.gz NVCJSAHEWWNSHW-XNWIYYODSA-N 0 3 242.319 0.394 20 0 BCADHN CCSCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000568676190 326372141 /nfs/dbraw/zinc/37/21/41/326372141.db2.gz AIUHUHYYXYFSPJ-UWVGGRQHSA-N 0 3 219.350 0.415 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000568722710 326373548 /nfs/dbraw/zinc/37/35/48/326373548.db2.gz VDYSOEUMHSLVSZ-OUAUKWLOSA-N 0 3 237.303 0.349 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000568747761 326374659 /nfs/dbraw/zinc/37/46/59/326374659.db2.gz MGPLAEDULRTXIL-GMTAPVOTSA-N 0 3 225.336 0.276 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](C)Cn1ccnc1 ZINC000568768430 326376715 /nfs/dbraw/zinc/37/67/15/326376715.db2.gz SCYZBQIRWVBDEV-ZJUUUORDSA-N 0 3 224.308 0.243 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H](C)Cn1ccnc1 ZINC000568768428 326376739 /nfs/dbraw/zinc/37/67/39/326376739.db2.gz SCYZBQIRWVBDEV-UWVGGRQHSA-N 0 3 224.308 0.243 20 0 BCADHN CC(C)(C[NH3+])C(=O)NCc1ncccc1[O-] ZINC000568863950 326379865 /nfs/dbraw/zinc/37/98/65/326379865.db2.gz MWFWLXGYFSWHEF-UHFFFAOYSA-N 0 3 223.276 0.388 20 0 BCADHN CCOC(=O)C1(CNC(=O)[C@@H](N)CC)CCC1 ZINC000568879107 326380722 /nfs/dbraw/zinc/38/07/22/326380722.db2.gz ULNFSXCKKNKLLI-VIFPVBQESA-N 0 3 242.319 0.573 20 0 BCADHN NCC(=O)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000568988535 326383171 /nfs/dbraw/zinc/38/31/71/326383171.db2.gz WDEKFGYFIXHQBT-UWVGGRQHSA-N 0 3 212.293 0.363 20 0 BCADHN CCn1nccc1CCN[C@@H]1COC[C@H]1OC ZINC000569100434 326389881 /nfs/dbraw/zinc/38/98/81/326389881.db2.gz INAOSAZPBYNFTE-VXGBXAGGSA-N 0 3 239.319 0.449 20 0 BCADHN CN1CCC[C@@H](N[C@@H]2COCC2(C)C)C1=O ZINC000569316703 326399833 /nfs/dbraw/zinc/39/98/33/326399833.db2.gz WJDBRFZAWQEOCX-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN CC(C)(N)C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC000083956673 487972114 /nfs/dbraw/zinc/97/21/14/487972114.db2.gz BJJSTBTWXLLUKP-UHFFFAOYSA-N 0 3 249.314 0.217 20 0 BCADHN C[C@H](N)C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000083960219 487973586 /nfs/dbraw/zinc/97/35/86/487973586.db2.gz VDROEHJHSXIEKY-ZETCQYMHSA-N 0 3 249.270 0.095 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CNc2ccccc2C1 ZINC000653204804 487974926 /nfs/dbraw/zinc/97/49/26/487974926.db2.gz GSOXPJAYJNFSAJ-PSASIEDQSA-N 0 3 219.288 0.487 20 0 BCADHN NC1(C(=O)N[C@@H]2CNc3ccccc3C2)CC1 ZINC000653204647 487974979 /nfs/dbraw/zinc/97/49/79/487974979.db2.gz AWKWEWXFMCPUCH-JTQLQIEISA-N 0 3 231.299 0.631 20 0 BCADHN CNCC(=O)N[C@@H]1CNc2ccccc2C1 ZINC000653204641 487975008 /nfs/dbraw/zinc/97/50/08/487975008.db2.gz ATBGGRDYCICMQC-JTQLQIEISA-N 0 3 219.288 0.359 20 0 BCADHN CN(C)C(C)(C)CNCc1ncnn1C ZINC000083970864 487976385 /nfs/dbraw/zinc/97/63/85/487976385.db2.gz AZZXFAJQEJNEHP-UHFFFAOYSA-N 0 3 211.313 0.245 20 0 BCADHN CCn1nccc1CN[C@@H](C)Cn1cncn1 ZINC000677127732 487977343 /nfs/dbraw/zinc/97/73/43/487977343.db2.gz PZEQYXWGJMYUPQ-JTQLQIEISA-N 0 3 234.307 0.673 20 0 BCADHN Cc1nc([C@H](C)NC(=O)[C@H](C)N(C)C)n[nH]1 ZINC000672328163 487979023 /nfs/dbraw/zinc/97/90/23/487979023.db2.gz PDEPEAYNLJVONY-BQBZGAKWSA-N 0 3 225.296 0.240 20 0 BCADHN CC(C)n1ncnc1CNC[C@@H](C)N(C)C ZINC000083977944 487979091 /nfs/dbraw/zinc/97/90/91/487979091.db2.gz RTIFDHBOCBHDDS-SNVBAGLBSA-N 0 3 225.340 0.899 20 0 BCADHN O[C@@H]1COC[C@@H]1NC1Cc2ccccc2C1 ZINC000134399505 487981959 /nfs/dbraw/zinc/98/19/59/487981959.db2.gz XIZLVPVXMVPVRY-QWHCGFSZSA-N 0 3 219.284 0.503 20 0 BCADHN Cc1[nH]ncc1CN(C)[C@H](C)CS(C)(=O)=O ZINC000093385128 487983122 /nfs/dbraw/zinc/98/31/22/487983122.db2.gz FKRBMFVZBQGRJU-MRVPVSSYSA-N 0 3 245.348 0.583 20 0 BCADHN Cc1cc(CN[C@@H]2CCC(=O)NC2(C)C)n[nH]1 ZINC000669998643 487987028 /nfs/dbraw/zinc/98/70/28/487987028.db2.gz WJLZTZTWAOWQRN-SNVBAGLBSA-N 0 3 236.319 0.865 20 0 BCADHN Cc1cc(CN[C@@H]2CCC(=O)NC2(C)C)[nH]n1 ZINC000669998643 487987030 /nfs/dbraw/zinc/98/70/30/487987030.db2.gz WJLZTZTWAOWQRN-SNVBAGLBSA-N 0 3 236.319 0.865 20 0 BCADHN CN(CC(C)(CO)CO)[C@H]1COC(C)(C)C1 ZINC000396610599 487988466 /nfs/dbraw/zinc/98/84/66/487988466.db2.gz YNEVPFNMWJSDMJ-SNVBAGLBSA-N 0 3 231.336 0.477 20 0 BCADHN CN(CC(C)(CO)CO)[C@@H]1COC(C)(C)C1 ZINC000396610594 487988514 /nfs/dbraw/zinc/98/85/14/487988514.db2.gz YNEVPFNMWJSDMJ-JTQLQIEISA-N 0 3 231.336 0.477 20 0 BCADHN CCN1CCN(C(=O)[C@H](C)N(C)C)C[C@H]1C ZINC000677182277 487993380 /nfs/dbraw/zinc/99/33/80/487993380.db2.gz FJDYDJHWHXKYOC-MNOVXSKESA-N 0 3 227.352 0.489 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H]1CCCC[C@H]1O ZINC000186790463 487992972 /nfs/dbraw/zinc/99/29/72/487992972.db2.gz MDZNGQLWJKTCNC-IVZWLZJFSA-N 0 3 235.349 0.313 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NC[C@@H]1CCC(=O)N1 ZINC000309598611 487994005 /nfs/dbraw/zinc/99/40/05/487994005.db2.gz WYVNEVYGXAJSCP-APPZFPTMSA-N 0 3 222.292 0.647 20 0 BCADHN CCc1n[nH]cc1C(=O)N[C@H]1CCN(CC)C1 ZINC000666041867 487996746 /nfs/dbraw/zinc/99/67/46/487996746.db2.gz JWOHLXXIRHSTLC-VIFPVBQESA-N 0 3 236.319 0.796 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCN(C)C(=O)C1 ZINC000682599870 487998084 /nfs/dbraw/zinc/99/80/84/487998084.db2.gz IKYPYRVFKUISSM-JTQLQIEISA-N 0 3 241.335 0.064 20 0 BCADHN CCc1nc(Cn2cc([C@@H](N)CC)nn2)no1 ZINC000229933961 487999732 /nfs/dbraw/zinc/99/97/32/487999732.db2.gz GYSQBFIGECMVEK-ZETCQYMHSA-N 0 3 236.279 0.682 20 0 BCADHN CCOc1cc(N2CCN[C@H](C)C2)nc(C)n1 ZINC000090787784 488000484 /nfs/dbraw/zinc/00/04/84/488000484.db2.gz LTNVUIYAJNFFNS-SECBINFHSA-N 0 3 236.319 0.982 20 0 BCADHN CCN1CCN(C(=O)c2cnc(C)[nH]2)C[C@H]1C ZINC000677218291 488002267 /nfs/dbraw/zinc/00/22/67/488002267.db2.gz ZCZSWXRBRUCZPO-SECBINFHSA-N 0 3 236.319 0.884 20 0 BCADHN CCC(CC)CNC(=O)NCCNCCOC ZINC000417704985 488004351 /nfs/dbraw/zinc/00/43/51/488004351.db2.gz RQAZMARQSLPTSO-UHFFFAOYSA-N 0 3 245.367 0.958 20 0 BCADHN CC[C@H](N)c1cn([C@@H](C)C(=O)NC(C)C)nn1 ZINC000229946699 488005888 /nfs/dbraw/zinc/00/58/88/488005888.db2.gz FCCUSWYTMPLECM-IUCAKERBSA-N 0 3 239.323 0.774 20 0 BCADHN CC[C@H](N)c1cn(C[C@](C)(O)CC)nn1 ZINC000229948731 488007692 /nfs/dbraw/zinc/00/76/92/488007692.db2.gz QNMCRYRMUJDBLJ-WCBMZHEXSA-N 0 3 212.297 0.849 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCC[C@H](NS(C)(=O)=O)C1 ZINC000682672555 488007934 /nfs/dbraw/zinc/00/79/34/488007934.db2.gz DPGZZUWOVVVOMX-MXWKQRLJSA-N 0 3 246.376 0.656 20 0 BCADHN C[C@@H]1C[C@@H]1CN[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000682672740 488009700 /nfs/dbraw/zinc/00/97/00/488009700.db2.gz HHUSBBYMGGCLHN-CKYFFXLPSA-N 0 3 248.330 0.771 20 0 BCADHN O=C1CCN(CCC[C@@H]2CCOC2)CCN1 ZINC000682672310 488009606 /nfs/dbraw/zinc/00/96/06/488009606.db2.gz AUTGVEJPBPGKGU-LLVKDONJSA-N 0 3 226.320 0.625 20 0 BCADHN CCC1(C(=O)N[C@@H](CO)CN(C)C)CCCC1 ZINC000673524269 488013005 /nfs/dbraw/zinc/01/30/05/488013005.db2.gz QRNOFKMCENLWIJ-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1ncc(CN2CCC[C@H](C(N)=O)C2)n1C ZINC000667462660 488014447 /nfs/dbraw/zinc/01/44/47/488014447.db2.gz QALWYRDUSDNNMG-JTQLQIEISA-N 0 3 236.319 0.426 20 0 BCADHN CN1CCCN(Cc2cnc3n2CCC3)CC1 ZINC000667462873 488015039 /nfs/dbraw/zinc/01/50/39/488015039.db2.gz YACJJFQCKVGQFN-UHFFFAOYSA-N 0 3 234.347 0.967 20 0 BCADHN CCC[C@H](N)c1cn(CC(=O)NC2CC2)nn1 ZINC000229965119 488016391 /nfs/dbraw/zinc/01/63/91/488016391.db2.gz VFOWVNNFQJJIOB-VIFPVBQESA-N 0 3 237.307 0.357 20 0 BCADHN CC[C@@H](CO)N1CCN(C[C@@H](C)CO)CC1 ZINC000121077883 490074543 /nfs/dbraw/zinc/07/45/43/490074543.db2.gz LTZRCYMXXVFTLM-NEPJUHHUSA-N 0 3 230.352 0.003 20 0 BCADHN CN(CC(F)F)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655920694 488021223 /nfs/dbraw/zinc/02/12/23/488021223.db2.gz MGGFXAACKIMRHH-BYPYZUCNSA-N 0 3 249.183 0.783 20 0 BCADHN NC[C@@H](NC(=O)NCCCF)C(F)(F)F ZINC000655919875 488021952 /nfs/dbraw/zinc/02/19/52/488021952.db2.gz GCZNSUAEXUEHKZ-RXMQYKEDSA-N 0 3 231.193 0.535 20 0 BCADHN CN1CCC[C@H](NC(=O)N[C@]2(C)CCOC2)C1 ZINC000677384568 488027472 /nfs/dbraw/zinc/02/74/72/488027472.db2.gz PPMQLXIUGCLDDZ-CMPLNLGQSA-N 0 3 241.335 0.559 20 0 BCADHN CCC[C@H](N)c1cn([C@@H](C)C(N)=O)nn1 ZINC000229971915 488027793 /nfs/dbraw/zinc/02/77/93/488027793.db2.gz RJNNRHNURWMSBV-BQBZGAKWSA-N 0 3 211.269 0.124 20 0 BCADHN COC[C@@H](CO)N[C@@H]1COC(C)(C)C1 ZINC000396825677 488028120 /nfs/dbraw/zinc/02/81/20/488028120.db2.gz BTBSNQUYGKDZIR-DTWKUNHWSA-N 0 3 203.282 0.151 20 0 BCADHN CCC[C@H](N)c1cn([C@@H](CC)C(N)=O)nn1 ZINC000229972764 488029043 /nfs/dbraw/zinc/02/90/43/488029043.db2.gz HCLSWJJYEUXGLW-CBAPKCEASA-N 0 3 225.296 0.514 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2ccnnc2)CCN1C ZINC000677407987 488030454 /nfs/dbraw/zinc/03/04/54/488030454.db2.gz JZWUJCRQXJDYPT-GXSJLCMTSA-N 0 3 234.303 0.689 20 0 BCADHN CC[C@@H](NC(=O)CN)[C@@H]1CCCCO1 ZINC000655525285 488031498 /nfs/dbraw/zinc/03/14/98/488031498.db2.gz MQTIDEBOMAIGEQ-BDAKNGLRSA-N 0 3 200.282 0.409 20 0 BCADHN C[C@](O)(CO)CNCc1ccc(CO)cc1 ZINC000227574892 488035140 /nfs/dbraw/zinc/03/51/40/488035140.db2.gz GCTNHACMTNKWCL-GFCCVEGCSA-N 0 3 225.288 0.012 20 0 BCADHN C[C@@](O)(CO)CNCc1ccc(CO)cc1 ZINC000227574888 488035149 /nfs/dbraw/zinc/03/51/49/488035149.db2.gz GCTNHACMTNKWCL-LBPRGKRZSA-N 0 3 225.288 0.012 20 0 BCADHN C[C@@H](O)CCCN1CC[C@H](n2cncn2)C1 ZINC000682774851 488037057 /nfs/dbraw/zinc/03/70/57/488037057.db2.gz QWSNVMIAMDVICN-MNOVXSKESA-N 0 3 224.308 0.686 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc(OC)cn1 ZINC000655449416 488038114 /nfs/dbraw/zinc/03/81/14/488038114.db2.gz WSSGAGKRSXAHCA-ZETCQYMHSA-N 0 3 209.249 0.637 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCC[C@@H]1CS(N)(=O)=O ZINC000488289721 533718511 /nfs/dbraw/zinc/71/85/11/533718511.db2.gz BANFFWGBWLWVLO-OPRDCNLKSA-N 0 3 232.349 0.395 20 0 BCADHN CCNC(=O)CN[C@@H]1COC(C)(C)C1 ZINC000396849576 488038757 /nfs/dbraw/zinc/03/87/57/488038757.db2.gz MSHNSEOOWVFXMY-QMMMGPOBSA-N 0 3 200.282 0.280 20 0 BCADHN CCNC(=O)CN[C@H]1COC(C)(C)C1 ZINC000396849575 488038681 /nfs/dbraw/zinc/03/86/81/488038681.db2.gz MSHNSEOOWVFXMY-MRVPVSSYSA-N 0 3 200.282 0.280 20 0 BCADHN CCc1nnc(CN2C[C@@H](C)N(C)C[C@H]2C)[nH]1 ZINC000355086696 488039457 /nfs/dbraw/zinc/03/94/57/488039457.db2.gz KKLVUQDLPNUJMQ-NXEZZACHSA-N 0 3 237.351 0.892 20 0 BCADHN CCc1nc(CN2C[C@@H](C)N(C)C[C@H]2C)n[nH]1 ZINC000355086696 488039461 /nfs/dbraw/zinc/03/94/61/488039461.db2.gz KKLVUQDLPNUJMQ-NXEZZACHSA-N 0 3 237.351 0.892 20 0 BCADHN CCCCN(C)CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000668638777 488039727 /nfs/dbraw/zinc/03/97/27/488039727.db2.gz OWXQSFDUQLNZKR-GDNZZTSVSA-N 0 3 240.347 0.727 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H]1COC(C)(C)C1 ZINC000396852521 488040579 /nfs/dbraw/zinc/04/05/79/488040579.db2.gz OZTQNFNCOJDCLN-IUCAKERBSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@H](O)CN(C)CCO[C@H]1CC1(F)F ZINC000659952585 488042036 /nfs/dbraw/zinc/04/20/36/488042036.db2.gz JRTRRMKJUODCOZ-YUMQZZPRSA-N 0 3 209.236 0.723 20 0 BCADHN CN(CC(=O)NC1CC1)[C@@H](CN)C(F)(F)F ZINC000037169648 488042214 /nfs/dbraw/zinc/04/22/14/488042214.db2.gz ZCRWYXZUTQPYCP-ZETCQYMHSA-N 0 3 239.241 0.086 20 0 BCADHN Cc1cc(CNC(=O)CN(C)C(C)C)ncn1 ZINC000677465262 488042634 /nfs/dbraw/zinc/04/26/34/488042634.db2.gz HGQOHMPLCWBLGE-UHFFFAOYSA-N 0 3 236.319 0.741 20 0 BCADHN CC[C@H](C(=O)NCc1cc(C)ncn1)N(C)C ZINC000677465164 488042649 /nfs/dbraw/zinc/04/26/49/488042649.db2.gz GKFHBVLKMBCCNY-LLVKDONJSA-N 0 3 236.319 0.741 20 0 BCADHN Cc1cc(CNC(=O)C2CCN(C)CC2)ncn1 ZINC000677465761 488043137 /nfs/dbraw/zinc/04/31/37/488043137.db2.gz ZHVZGCAMVPCEPV-UHFFFAOYSA-N 0 3 248.330 0.743 20 0 BCADHN CN(C(=O)c1ncc[nH]1)[C@@H]1CCCN(C)C1 ZINC000669177183 488043218 /nfs/dbraw/zinc/04/32/18/488043218.db2.gz GURAGYLSGLKGCC-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN CCn1nccc1CN1CC[C@H](CC(N)=O)C1 ZINC000685475041 488044437 /nfs/dbraw/zinc/04/44/37/488044437.db2.gz SMSOMNGQRAIPRH-SNVBAGLBSA-N 0 3 236.319 0.600 20 0 BCADHN Cc1ncc(CN(CCO)CC2CC2)n1C ZINC000667556790 488044777 /nfs/dbraw/zinc/04/47/77/488044777.db2.gz GJMDVSMFWZKEKH-UHFFFAOYSA-N 0 3 223.320 0.933 20 0 BCADHN COC[C@@H](OC)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000669179318 488045293 /nfs/dbraw/zinc/04/52/93/488045293.db2.gz WLMPCTQVYWJZQD-WDEREUQCSA-N 0 3 244.335 0.200 20 0 BCADHN CC1(OCC(=O)Nc2cccnc2)CNC1 ZINC000165852193 488046515 /nfs/dbraw/zinc/04/65/15/488046515.db2.gz QABKRAXZHPNPKT-UHFFFAOYSA-N 0 3 221.260 0.399 20 0 BCADHN CC[C@H](C)CN(C)C(=O)COC1(C)CNC1 ZINC000165843231 488046015 /nfs/dbraw/zinc/04/60/15/488046015.db2.gz AZDLGPACVYERJG-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H]1CN(C(=O)COC2(C)CNC2)C[C@H]1C ZINC000165848604 488047270 /nfs/dbraw/zinc/04/72/70/488047270.db2.gz VJMGDLIOTDRVEU-NXEZZACHSA-N 0 3 226.320 0.479 20 0 BCADHN CC1CC(NC(=O)COC2(C)CNC2)C1 ZINC000165847043 488047081 /nfs/dbraw/zinc/04/70/81/488047081.db2.gz NAFDHUXQMYBYBY-UHFFFAOYSA-N 0 3 212.293 0.280 20 0 BCADHN Cn1cc(C(=O)N[C@H](CN)C(F)(F)F)cn1 ZINC000401702924 488049141 /nfs/dbraw/zinc/04/91/41/488049141.db2.gz BAIUKYCBQGSCAX-ZCFIWIBFSA-N 0 3 236.197 0.040 20 0 BCADHN NC[C@H](NC(=O)c1ccncc1)C(F)(F)F ZINC000401706484 488050210 /nfs/dbraw/zinc/05/02/10/488050210.db2.gz DVMBFYHVFSDDKP-ZETCQYMHSA-N 0 3 233.193 0.701 20 0 BCADHN CC1(C(=O)N[C@@H](CN)C(F)(F)F)CC1 ZINC000401708541 488050087 /nfs/dbraw/zinc/05/00/87/488050087.db2.gz CLNZZDFKJKEWJX-YFKPBYRVSA-N 0 3 210.199 0.792 20 0 BCADHN C[C@@H]1C[C@@H](NC2COCCOC2)CN1C1CC1 ZINC000393880590 488052196 /nfs/dbraw/zinc/05/21/96/488052196.db2.gz LDKSTWFFINMRAK-GHMZBOCLSA-N 0 3 240.347 0.617 20 0 BCADHN Cc1cc(C(=O)N[C@H](CN)C(F)(F)F)[nH]n1 ZINC000401713918 488052696 /nfs/dbraw/zinc/05/26/96/488052696.db2.gz KBELZPJIHSBPRI-ZCFIWIBFSA-N 0 3 236.197 0.338 20 0 BCADHN Cc1cc(C(=O)N[C@@H](CN)C(F)(F)F)no1 ZINC000401713002 488052743 /nfs/dbraw/zinc/05/27/43/488052743.db2.gz JJOPSNOYUQRJBV-LURJTMIESA-N 0 3 237.181 0.602 20 0 BCADHN CCN1CCC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC000408286889 488052991 /nfs/dbraw/zinc/05/29/91/488052991.db2.gz OEBNLKBSEYTBLL-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN O=C1C[C@H](CNCc2ncc[nH]2)CN1C1CC1 ZINC000651992766 488054431 /nfs/dbraw/zinc/05/44/31/488054431.db2.gz FLCHINRMIKRCKN-SECBINFHSA-N 0 3 234.303 0.510 20 0 BCADHN COCCN1CC[C@H](Nc2ncc(C)cn2)C1 ZINC000677506299 488056214 /nfs/dbraw/zinc/05/62/14/488056214.db2.gz PBNNESNZMPFQQJ-NSHDSACASA-N 0 3 236.319 0.918 20 0 BCADHN C([C@H]1CNCCO1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000221732838 488056332 /nfs/dbraw/zinc/05/63/32/488056332.db2.gz OUZPHPCROBZAIA-GRYCIOLGSA-N 0 3 226.320 0.228 20 0 BCADHN N[C@@H](CC(=O)NCCCCO)c1ccccc1 ZINC000236307748 488056573 /nfs/dbraw/zinc/05/65/73/488056573.db2.gz NKLAECAZSWTDBK-LBPRGKRZSA-N 0 3 236.315 0.965 20 0 BCADHN Cn1cncc1C(=O)N[C@@H](CN)C(F)(F)F ZINC000401723690 488056901 /nfs/dbraw/zinc/05/69/01/488056901.db2.gz OXFAOXDTQXZHLL-LURJTMIESA-N 0 3 236.197 0.040 20 0 BCADHN N[C@@H](Cc1ccccc1)C(=O)NCCCCO ZINC000236297386 488056896 /nfs/dbraw/zinc/05/68/96/488056896.db2.gz GTKMZWBHUHOUBA-LBPRGKRZSA-N 0 3 236.315 0.445 20 0 BCADHN COCCCN(C)CCNC(=O)c1ncc[nH]1 ZINC000669187726 488059123 /nfs/dbraw/zinc/05/91/23/488059123.db2.gz OYCXRPPKZNWTAS-UHFFFAOYSA-N 0 3 240.307 0.108 20 0 BCADHN CO[C@@H](C)CCC(=O)N[C@H](CN)C(F)(F)F ZINC000401737969 488060161 /nfs/dbraw/zinc/06/01/61/488060161.db2.gz DIFWDDHOCUVGJQ-NKWVEPMBSA-N 0 3 242.241 0.807 20 0 BCADHN NC[C@H](NC(=O)[C@H]1CCCCO1)C(F)(F)F ZINC000401742639 488061163 /nfs/dbraw/zinc/06/11/63/488061163.db2.gz HXRIXFWXLWNJSC-RQJHMYQMSA-N 0 3 240.225 0.561 20 0 BCADHN NC[C@@H](NC(=O)C1CCOCC1)C(F)(F)F ZINC000401764545 488065349 /nfs/dbraw/zinc/06/53/49/488065349.db2.gz XNMLFBHLGWAANQ-SSDOTTSWSA-N 0 3 240.225 0.419 20 0 BCADHN NC[C@H](NC(=O)C1CCOCC1)C(F)(F)F ZINC000401764547 488065460 /nfs/dbraw/zinc/06/54/60/488065460.db2.gz XNMLFBHLGWAANQ-ZETCQYMHSA-N 0 3 240.225 0.419 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1cnco1 ZINC000677532753 488066906 /nfs/dbraw/zinc/06/69/06/488066906.db2.gz MVWVRZMRWRXKLR-SECBINFHSA-N 0 3 223.276 0.841 20 0 BCADHN NC[C@@H](NC(=O)C[C@@H]1CCOC1)C(F)(F)F ZINC000401793663 488067886 /nfs/dbraw/zinc/06/78/86/488067886.db2.gz IGHWDEXEHJEKIX-NKWVEPMBSA-N 0 3 240.225 0.419 20 0 BCADHN CN(CCc1ccnn1C)Cc1cn[nH]c1 ZINC000670084289 488071250 /nfs/dbraw/zinc/07/12/50/488071250.db2.gz UJNOMCBGRDZKDQ-UHFFFAOYSA-N 0 3 219.292 0.818 20 0 BCADHN O=C1C[C@H](NC[C@@H](O)C(F)(F)F)CCCN1 ZINC000236566067 488071985 /nfs/dbraw/zinc/07/19/85/488071985.db2.gz DZPHPDRIKZGCEH-RNFRBKRXSA-N 0 3 240.225 0.168 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000389040306 488072607 /nfs/dbraw/zinc/07/26/07/488072607.db2.gz QMXAQKKPXMMZPR-LPEHRKFASA-N 0 3 214.309 0.526 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC000677565281 488075917 /nfs/dbraw/zinc/07/59/17/488075917.db2.gz HKCRXIFNPRUHIY-NXEZZACHSA-N 0 3 236.319 0.490 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000230242990 488077417 /nfs/dbraw/zinc/07/74/17/488077417.db2.gz FENMNCWGHBEDSC-UTLUCORTSA-N 0 3 214.309 0.478 20 0 BCADHN CO[C@@H]1CN(C(=O)CNC(C)C)CC[C@@H]1C ZINC000230244946 488077551 /nfs/dbraw/zinc/07/75/51/488077551.db2.gz OPPSSWBRZUFVNO-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN Cn1ccc(CN2CCC(CO)(CO)C2)c1 ZINC000668665466 488080964 /nfs/dbraw/zinc/08/09/64/488080964.db2.gz UKDZHYLIBGAJIN-UHFFFAOYSA-N 0 3 224.304 0.202 20 0 BCADHN Cc1cnccc1CN1CCC(CO)(CO)C1 ZINC000668665196 488081006 /nfs/dbraw/zinc/08/10/06/488081006.db2.gz IANLSAOXRBFZDQ-UHFFFAOYSA-N 0 3 236.315 0.567 20 0 BCADHN CC[C@H](C(N)=O)N(C)CC(C)(C)CO ZINC000451247131 488081549 /nfs/dbraw/zinc/08/15/49/488081549.db2.gz LWULOHOZMNQQIU-MRVPVSSYSA-N 0 3 202.298 0.201 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)CCCCO ZINC000092173524 488084897 /nfs/dbraw/zinc/08/48/97/488084897.db2.gz NRWMTIVHMKKQCW-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN CCN1CC[C@@H](N[C@@H](C)COC)C1=O ZINC000389336656 488089690 /nfs/dbraw/zinc/08/96/90/488089690.db2.gz WTTDUIYUUKBJIK-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN O=c1c2ccccc2ncn1C[C@H]1CNCCO1 ZINC000080745050 488090115 /nfs/dbraw/zinc/09/01/15/488090115.db2.gz FPZAZVWSKMAHHV-SNVBAGLBSA-N 0 3 245.282 0.385 20 0 BCADHN O=c1c2ccccc2ncn1C[C@@H]1CNCCO1 ZINC000080745049 488090290 /nfs/dbraw/zinc/09/02/90/488090290.db2.gz FPZAZVWSKMAHHV-JTQLQIEISA-N 0 3 245.282 0.385 20 0 BCADHN CCCN(CCO)CC[C@H]1CCS(=O)(=O)C1 ZINC000677675128 488090922 /nfs/dbraw/zinc/09/09/22/488090922.db2.gz COSVVDGCFMAJKK-NSHDSACASA-N 0 3 249.376 0.516 20 0 BCADHN O=S1(=O)CC[C@H](CCN(CCO)C2CC2)C1 ZINC000677677112 488091233 /nfs/dbraw/zinc/09/12/33/488091233.db2.gz XKTJWVSBRWWPIZ-JTQLQIEISA-N 0 3 247.360 0.268 20 0 BCADHN CN1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000257924202 488092212 /nfs/dbraw/zinc/09/22/12/488092212.db2.gz ARYHCXZBBAQJIQ-UHFFFAOYSA-N 0 3 245.326 0.677 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@@H]1COC ZINC000237042822 488101657 /nfs/dbraw/zinc/10/16/57/488101657.db2.gz PLCPBRBUOFWXHS-RKDXNWHRSA-N 0 3 200.282 0.361 20 0 BCADHN O=C(C[C@@H]1NCc2ccccc21)N1CCNCC1 ZINC000258132135 488102035 /nfs/dbraw/zinc/10/20/35/488102035.db2.gz MGJDDTQGVVOABL-ZDUSSCGKSA-N 0 3 245.326 0.653 20 0 BCADHN CCO[C@@H]1CCN([C@@H](CC)C(N)=O)C[C@H]1C ZINC000451539873 488102595 /nfs/dbraw/zinc/10/25/95/488102595.db2.gz KMFDJHLHNXPZPR-OUAUKWLOSA-N 0 3 228.336 0.997 20 0 BCADHN COC[C@H](O)CN(C)C1(COC)CC1 ZINC000677727833 488104868 /nfs/dbraw/zinc/10/48/68/488104868.db2.gz IZWCQJDDACOAJM-SECBINFHSA-N 0 3 203.282 0.105 20 0 BCADHN O=C1CCC(=O)N1CCN1CC[C@H](C(F)F)C1 ZINC000677729766 488106069 /nfs/dbraw/zinc/10/60/69/488106069.db2.gz IHFHCDYDGPGUHC-QMMMGPOBSA-N 0 3 246.257 0.722 20 0 BCADHN CO[C@@H](C)[C@@H](C)NC[C@H](O)C(F)(F)F ZINC000166809389 488109519 /nfs/dbraw/zinc/10/95/19/488109519.db2.gz AUNASWRLFWRGOM-VQVTYTSYSA-N 0 3 215.215 0.923 20 0 BCADHN O=C1CNC(=O)N1CCN1CC[C@@H](C(F)F)C1 ZINC000677731275 488110217 /nfs/dbraw/zinc/11/02/17/488110217.db2.gz OBTICJILYCQHOI-SSDOTTSWSA-N 0 3 247.245 0.125 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N[C@H]2CCOC2)C1 ZINC000389768529 488111070 /nfs/dbraw/zinc/11/10/70/488111070.db2.gz BIIVOHHTDBYURC-MNOVXSKESA-N 0 3 241.335 0.559 20 0 BCADHN CCn1cnc(C(=O)N2CCCNCC2)c1 ZINC000213489985 488112136 /nfs/dbraw/zinc/11/21/36/488112136.db2.gz WXDMVJZIGKNXPP-UHFFFAOYSA-N 0 3 222.292 0.339 20 0 BCADHN CCCN1CC[C@H](NC(=O)c2cnc(N)cn2)C1 ZINC000389777011 488112223 /nfs/dbraw/zinc/11/22/23/488112223.db2.gz YJNGTEYMZVHJOY-VIFPVBQESA-N 0 3 249.318 0.273 20 0 BCADHN C[C@@H]1C[C@@H]1CN(C)CCN1CCCS1(=O)=O ZINC000683109734 488111850 /nfs/dbraw/zinc/11/18/50/488111850.db2.gz MWRONVDZYJTBTJ-GHMZBOCLSA-N 0 3 246.376 0.610 20 0 BCADHN OCC1(CN2CC[C@H](C(F)F)C2)COC1 ZINC000677734430 488112696 /nfs/dbraw/zinc/11/26/96/488112696.db2.gz XFYVXWSOOLFORW-QMMMGPOBSA-N 0 3 221.247 0.582 20 0 BCADHN O[C@H](Cn1cccn1)CN1CC[C@H](C(F)F)C1 ZINC000677734715 488112586 /nfs/dbraw/zinc/11/25/86/488112586.db2.gz VMEDYPVIDVUKGF-UWVGGRQHSA-N 0 3 245.273 0.831 20 0 BCADHN O[C@H](CN1CC[C@H]2COC[C@@H]2C1)C(F)(F)F ZINC000662029792 488113694 /nfs/dbraw/zinc/11/36/94/488113694.db2.gz BOZUXVCFJOJANQ-XHNCKOQMSA-N 0 3 239.237 0.878 20 0 BCADHN O=C1NCCCC[C@@H]1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000667778291 488119139 /nfs/dbraw/zinc/11/91/39/488119139.db2.gz ZKUUQSYZCWTJFH-SRVKXCTJSA-N 0 3 238.331 0.812 20 0 BCADHN C[C@@H](CNC(=O)C(C)(C)O)N1CCC[C@H](C)C1 ZINC000683178297 488123399 /nfs/dbraw/zinc/12/33/99/488123399.db2.gz CARIHLWNUKGVEQ-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](C[C@H]1CCOC1)NC(=O)NCCN(C)C ZINC000677804678 488126491 /nfs/dbraw/zinc/12/64/91/488126491.db2.gz LZGVOFJTWNSYEE-GHMZBOCLSA-N 0 3 243.351 0.662 20 0 BCADHN COC1(CO)CCN(Cc2[nH]ncc2C)CC1 ZINC000685845093 488127196 /nfs/dbraw/zinc/12/71/96/488127196.db2.gz FKFBSPCUSMCRAJ-UHFFFAOYSA-N 0 3 239.319 0.691 20 0 BCADHN Cc1cc(NCCN2CCC(O)CC2)ncn1 ZINC000321106340 488127879 /nfs/dbraw/zinc/12/78/79/488127879.db2.gz DSUCZEQSOGNXNX-UHFFFAOYSA-N 0 3 236.319 0.654 20 0 BCADHN CCn1ccc(NC(=O)CNC(C)C)n1 ZINC000300844800 487539627 /nfs/dbraw/zinc/53/96/27/487539627.db2.gz FWPQMVRDVUBPBZ-UHFFFAOYSA-N 0 3 210.281 0.840 20 0 BCADHN CC1(OCC(=O)N[C@H]2CC=CCC2)CNC1 ZINC000168758648 487540653 /nfs/dbraw/zinc/54/06/53/487540653.db2.gz HPLHMBYDTPWWJR-JTQLQIEISA-N 0 3 224.304 0.590 20 0 BCADHN CN1CCC[C@H](NC(=O)c2ccc(CN)o2)C1 ZINC000094569972 487543768 /nfs/dbraw/zinc/54/37/68/487543768.db2.gz VHYPBISIMULYNO-VIFPVBQESA-N 0 3 237.303 0.562 20 0 BCADHN C[C@@H](C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)N(C)C ZINC000674288563 487544159 /nfs/dbraw/zinc/54/41/59/487544159.db2.gz GHEKWEWLIBUUKE-GARJFASQSA-N 0 3 227.352 0.535 20 0 BCADHN CC(C)[C@H](N)c1cn(-c2cnn(C)c2)nn1 ZINC000300903776 487547808 /nfs/dbraw/zinc/54/78/08/487547808.db2.gz LEVDIOQPCHUEOK-JTQLQIEISA-N 0 3 220.280 0.657 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)[C@H](C)N(C)C ZINC000674288991 487549739 /nfs/dbraw/zinc/54/97/39/487549739.db2.gz UWWMTHOXFXQFLU-RYUDHWBXSA-N 0 3 241.379 0.927 20 0 BCADHN C[C@@H](C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)N(C)C ZINC000674288647 487549499 /nfs/dbraw/zinc/54/94/99/487549499.db2.gz GYZDJBLWVRFVIG-SDDRHHMPSA-N 0 3 241.379 0.878 20 0 BCADHN CCn1ccc(NC(=O)[C@H]2CCCCN2)n1 ZINC000300930045 487550940 /nfs/dbraw/zinc/55/09/40/487550940.db2.gz VTYFLXNGXLHJCN-SECBINFHSA-N 0 3 222.292 0.984 20 0 BCADHN C[C@@H](C(=O)NCCN1CC[C@H](C)C1)N(C)C ZINC000674289835 487551711 /nfs/dbraw/zinc/55/17/11/487551711.db2.gz XBENFMBNQYXGDJ-QWRGUYRKSA-N 0 3 227.352 0.395 20 0 BCADHN CC(C)NCC(=O)NCc1ccc(=O)[nH]c1 ZINC000392720378 487553878 /nfs/dbraw/zinc/55/38/78/487553878.db2.gz OZRPZNHFBYWPFZ-UHFFFAOYSA-N 0 3 223.276 0.401 20 0 BCADHN C[C@H](N(C)CCn1ccccc1=O)C(C)(C)O ZINC000382813190 487555338 /nfs/dbraw/zinc/55/53/38/487555338.db2.gz RBQJZLANOLHKLT-NSHDSACASA-N 0 3 238.331 0.940 20 0 BCADHN CN1CC=C(CNc2nc3ccccn3n2)CC1 ZINC000392886522 487556735 /nfs/dbraw/zinc/55/67/35/487556735.db2.gz LCLJLAMWQJFLDU-UHFFFAOYSA-N 0 3 243.314 0.825 20 0 BCADHN CN(CCNC(=O)N[C@H](CO)CCF)C1CC1 ZINC000650868619 487471298 /nfs/dbraw/zinc/47/12/98/487471298.db2.gz KUCPUNTVBWWCBK-VIFPVBQESA-N 0 3 247.314 0.100 20 0 BCADHN c1ncn([C@H]2CCN([C@H]3CCCOC3)C2)n1 ZINC000681603644 487473068 /nfs/dbraw/zinc/47/30/68/487473068.db2.gz ABPFSSPDOQSOOA-QWRGUYRKSA-N 0 3 222.292 0.704 20 0 BCADHN O=C(c1ccccc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405346871 487482103 /nfs/dbraw/zinc/48/21/03/487482103.db2.gz LLNUOAWUTROQFP-QWHCGFSZSA-N 0 3 246.310 0.578 20 0 BCADHN CC[C@@H](O)CN[C@@H](C)C(=O)N(C)CC ZINC000231852023 487482127 /nfs/dbraw/zinc/48/21/27/487482127.db2.gz RGMZMPNEHPJZPR-DTWKUNHWSA-N 0 3 202.298 0.214 20 0 BCADHN CC(C)(CC(N)=O)NCc1cncs1 ZINC000227056723 487484437 /nfs/dbraw/zinc/48/44/37/487484437.db2.gz GEUJVKUBRSPZOQ-UHFFFAOYSA-N 0 3 213.306 0.887 20 0 BCADHN Cc1nccnc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405476026 487483127 /nfs/dbraw/zinc/48/31/27/487483127.db2.gz LYTPFHGEAJPSJT-WDEREUQCSA-N 0 3 234.303 0.040 20 0 BCADHN Cc1noc(C)c1[C@H](C)NC(=O)C1(N)CC1 ZINC000086109970 487483323 /nfs/dbraw/zinc/48/33/23/487483323.db2.gz DKLZLDOXVKMYEA-LURJTMIESA-N 0 3 223.276 0.960 20 0 BCADHN Cc1noc(C)c1[C@H](C)NC(=O)[C@H](C)N ZINC000086110014 487483715 /nfs/dbraw/zinc/48/37/15/487483715.db2.gz BOXDSOXBLZPBRR-WDSKDSINSA-N 0 3 211.265 0.816 20 0 BCADHN Cc1cnc(C)c(N2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000405421400 487484498 /nfs/dbraw/zinc/48/44/98/487484498.db2.gz XTILYCALKAPUNS-NWDGAFQWSA-N 0 3 248.330 0.349 20 0 BCADHN C[C@H](C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000405255822 487478415 /nfs/dbraw/zinc/47/84/15/487478415.db2.gz GISHBNCMUNDRKD-ZMLRMANQSA-N 0 3 238.331 0.310 20 0 BCADHN C[C@@H]1C[C@H]1CN[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000682672743 487480962 /nfs/dbraw/zinc/48/09/62/487480962.db2.gz HHUSBBYMGGCLHN-SCVCMEIPSA-N 0 3 248.330 0.771 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)[C@@H](N)C(C)(C)C ZINC000086125500 487484982 /nfs/dbraw/zinc/48/49/82/487484982.db2.gz NDGHSIAYAJPILW-RKDXNWHRSA-N 0 3 216.325 0.493 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)C1(N)CCCCC1 ZINC000086125122 487485031 /nfs/dbraw/zinc/48/50/31/487485031.db2.gz WXGZREZJDZGUCM-SNVBAGLBSA-N 0 3 228.336 0.781 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccn(C)c(=O)c1 ZINC000678469877 487487496 /nfs/dbraw/zinc/48/74/96/487487496.db2.gz QFWUJTHSHBUBBP-NWDGAFQWSA-N 0 3 249.358 0.910 20 0 BCADHN CCn1ccc(=NC(=O)[C@@H](C(C)C)[C@@H](C)N)[nH]1 ZINC000399577483 487490183 /nfs/dbraw/zinc/49/01/83/487490183.db2.gz MIEVSXOKWNEKDZ-KOLCDFICSA-N 0 3 238.335 0.883 20 0 BCADHN CCn1ccc(=NC(=O)[C@H](C(C)C)[C@H](C)N)[nH]1 ZINC000399577479 487490339 /nfs/dbraw/zinc/49/03/39/487490339.db2.gz MIEVSXOKWNEKDZ-GXSJLCMTSA-N 0 3 238.335 0.883 20 0 BCADHN CN(CCNc1cncc2ncnn21)C1CC1 ZINC000679927312 487491890 /nfs/dbraw/zinc/49/18/90/487491890.db2.gz OEFQCQKAHKFGKS-UHFFFAOYSA-N 0 3 232.291 0.630 20 0 BCADHN COC[C@H](CNCc1ccc(CO)cc1)OC ZINC000300581755 487492621 /nfs/dbraw/zinc/49/26/21/487492621.db2.gz VPOOLOVBTUQEIQ-ZDUSSCGKSA-N 0 3 239.315 0.930 20 0 BCADHN CCC1(CO)CCN(C(=O)CNC)CC1 ZINC000193140285 487494124 /nfs/dbraw/zinc/49/41/24/487494124.db2.gz SJEUGYOYYGWDSS-UHFFFAOYSA-N 0 3 214.309 0.217 20 0 BCADHN O[C@@H]1CCC[C@H](CN2CCOC[C@H](O)C2)C1 ZINC000399887304 487497056 /nfs/dbraw/zinc/49/70/56/487497056.db2.gz BNUBPPLLCVPDMC-QJPTWQEYSA-N 0 3 229.320 0.231 20 0 BCADHN Cn1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)nn1 ZINC000685190815 487500480 /nfs/dbraw/zinc/50/04/80/487500480.db2.gz FDPHWWDWQPLNID-JTQLQIEISA-N 0 3 249.318 0.029 20 0 BCADHN COC[C@H](C)CN(C)CC(=O)N1CCCC1 ZINC000674047569 487504237 /nfs/dbraw/zinc/50/42/37/487504237.db2.gz MPBGTQGOIIWAHX-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN C[C@H](O)[C@@H]1CCN(Cc2ccc(N)nc2)C1 ZINC000161699559 487511689 /nfs/dbraw/zinc/51/16/89/487511689.db2.gz ZUXAKBUOJGHFQX-GXSJLCMTSA-N 0 3 221.304 0.867 20 0 BCADHN O[C@@H]1CN(Cc2cccc3cnccc32)C[C@@H]1O ZINC000679989945 487511788 /nfs/dbraw/zinc/51/17/88/487511788.db2.gz OFJBDIRAXMBLAZ-OKILXGFUSA-N 0 3 244.294 0.772 20 0 BCADHN Cc1ccc(CNCCCS(C)(=O)=O)cn1 ZINC000063014998 487507748 /nfs/dbraw/zinc/50/77/48/487507748.db2.gz IDZRHMVKIJDPSA-UHFFFAOYSA-N 0 3 242.344 0.914 20 0 BCADHN CC(C)(N)C(=O)NCc1cccc(N)c1 ZINC000169811072 487508285 /nfs/dbraw/zinc/50/82/85/487508285.db2.gz ITJSXCRFGGBYJC-UHFFFAOYSA-N 0 3 207.277 0.622 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]CC2(CO)CC2)n1 ZINC000118907017 487516186 /nfs/dbraw/zinc/51/61/86/487516186.db2.gz DLJWVEVRTNPBJK-UHFFFAOYSA-N 0 3 222.288 0.958 20 0 BCADHN CCN1CC[C@H](N[C@H](C)Cn2cccn2)C1=O ZINC000670160674 487519469 /nfs/dbraw/zinc/51/94/69/487519469.db2.gz NVHZJHMIPUKCGQ-MNOVXSKESA-N 0 3 236.319 0.482 20 0 BCADHN Cc1nn(C)c(C)c1CNCC1(CO)CC1 ZINC000118906723 490043972 /nfs/dbraw/zinc/04/39/72/490043972.db2.gz ULOOIQQMRADMCP-UHFFFAOYSA-N 0 3 223.320 0.899 20 0 BCADHN CCN1C[C@@H](C)N(C(=O)[C@H](C)N(C)C)C[C@H]1C ZINC000677974110 488167936 /nfs/dbraw/zinc/16/79/36/488167936.db2.gz DYPXJRJTGKGGEX-UTUOFQBUSA-N 0 3 241.379 0.878 20 0 BCADHN O=C(CNC[C@H]1CCCO1)NCCC1CC1 ZINC000237928295 487535051 /nfs/dbraw/zinc/53/50/51/487535051.db2.gz YEWPOSVVQAZSGL-LLVKDONJSA-N 0 3 226.320 0.671 20 0 BCADHN COC1CCN(CCNCc2cn[nH]c2)CC1 ZINC000674335332 487561477 /nfs/dbraw/zinc/56/14/77/487561477.db2.gz KEVFUUMOAWDTAL-UHFFFAOYSA-N 0 3 238.335 0.610 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H]1COC ZINC000674590647 487597966 /nfs/dbraw/zinc/59/79/66/487597966.db2.gz LHTFWLGWKLCTOQ-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC1(C)[C@@H](O)C[C@@H]1NCc1cccnc1N ZINC000653741641 487698727 /nfs/dbraw/zinc/69/87/27/487698727.db2.gz HIPWXKGIQOESBI-UWVGGRQHSA-N 0 3 221.304 0.913 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671707260 487699482 /nfs/dbraw/zinc/69/94/82/487699482.db2.gz VIMZGRSWUMKCFO-NWDGAFQWSA-N 0 3 240.347 0.604 20 0 BCADHN CCN1CCN(CCn2ccccc2=O)[C@@H](C)C1 ZINC000671716764 487700938 /nfs/dbraw/zinc/70/09/38/487700938.db2.gz QGXAAYNFIWQWOD-ZDUSSCGKSA-N 0 3 249.358 0.874 20 0 BCADHN CCN1CCN(C[C@H](C)CO)[C@@H](C)C1 ZINC000671716466 487704655 /nfs/dbraw/zinc/70/46/55/487704655.db2.gz NXGDBFNHKYJARY-QWRGUYRKSA-N 0 3 200.326 0.641 20 0 BCADHN CN1CCC[C@H](NC(=O)[C@@H]2CCSC2)C1 ZINC000675565742 487749048 /nfs/dbraw/zinc/74/90/48/487749048.db2.gz WJGOFJNWBVVFJV-ZJUUUORDSA-N 0 3 228.361 0.950 20 0 BCADHN CN1CCC[C@H](NC(=O)NCCCF)C1 ZINC000676048452 487805679 /nfs/dbraw/zinc/80/56/79/487805679.db2.gz IYJNAJNOKYKSFV-VIFPVBQESA-N 0 3 217.288 0.739 20 0 BCADHN CC(C)N(CC(F)F)C[C@@H]1CNCCO1 ZINC000387035904 487905971 /nfs/dbraw/zinc/90/59/71/487905971.db2.gz KYAHYEMDEZCYQK-VIFPVBQESA-N 0 3 222.279 0.950 20 0 BCADHN Cc1n[nH]c(C)c1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000668597432 487985902 /nfs/dbraw/zinc/98/59/02/487985902.db2.gz CROKGHFYQIZUPS-CMPLNLGQSA-N 0 3 221.304 0.983 20 0 BCADHN CCN1CCN(C(=O)CN(C)C)C[C@H]1C ZINC000677218222 488003102 /nfs/dbraw/zinc/00/31/02/488003102.db2.gz XSDVAHRSOGYWRX-SNVBAGLBSA-N 0 3 213.325 0.101 20 0 BCADHN CN1CCC[C@@H](NC(=O)c2cccc(=O)n2C)C1 ZINC000677423790 488033668 /nfs/dbraw/zinc/03/36/68/488033668.db2.gz ZKGFGBQXNSFIMJ-SNVBAGLBSA-N 0 3 249.314 0.209 20 0 BCADHN COCCN(C)CCCNC(=O)c1cnco1 ZINC000677514347 488061358 /nfs/dbraw/zinc/06/13/58/488061358.db2.gz WEQTTXASKWSZIR-UHFFFAOYSA-N 0 3 241.291 0.373 20 0 BCADHN CC[C@@H](N)C(=O)NCC(F)(F)C(F)F ZINC000230696197 488136637 /nfs/dbraw/zinc/13/66/37/488136637.db2.gz MTLSWIJGNJRFNT-SCSAIBSYSA-N 0 3 216.178 0.740 20 0 BCADHN C[C@@H](O)C1(NCc2cnc3n2CCC3)CC1 ZINC000668701269 488136873 /nfs/dbraw/zinc/13/68/73/488136873.db2.gz PLPBPOJYFTVQCQ-SECBINFHSA-N 0 3 221.304 0.832 20 0 BCADHN CC(C)(C)OCCCN1CC[C@H](NC(N)=O)C1 ZINC000677821270 488137378 /nfs/dbraw/zinc/13/73/78/488137378.db2.gz SDYAWKYVZMNKLJ-JTQLQIEISA-N 0 3 243.351 0.934 20 0 BCADHN COC[C@H](CCO)N[C@H]1CO[C@H](C2CC2)C1 ZINC000667870915 488143463 /nfs/dbraw/zinc/14/34/63/488143463.db2.gz HNDABLDVDANSFO-TUAOUCFPSA-N 0 3 229.320 0.541 20 0 BCADHN O=C(NCCCCO)[C@H]1CNCc2ccccc21 ZINC000236494063 488145041 /nfs/dbraw/zinc/14/50/41/488145041.db2.gz HFYPQGJNTBEWOA-ZDUSSCGKSA-N 0 3 248.326 0.762 20 0 BCADHN CN1CCC[C@H](N[C@H]2CO[C@H](C3CC3)C2)C1=O ZINC000667891949 488148941 /nfs/dbraw/zinc/14/89/41/488148941.db2.gz BFOXRWHPXGZEAT-WOPDTQHZSA-N 0 3 238.331 0.764 20 0 BCADHN CN1CCC[C@H](N[C@H]2CO[C@@H](C3CC3)C2)C1=O ZINC000667891946 488148975 /nfs/dbraw/zinc/14/89/75/488148975.db2.gz BFOXRWHPXGZEAT-GRYCIOLGSA-N 0 3 238.331 0.764 20 0 BCADHN c1ccc2c(c1)NCCN2C[C@H]1CNCCO1 ZINC000259110593 488150888 /nfs/dbraw/zinc/15/08/88/488150888.db2.gz BFWOFUDKWOLCFR-LLVKDONJSA-N 0 3 233.315 0.907 20 0 BCADHN CC[C@@H](C)CN(C)[C@H](COC)C(N)=O ZINC000339354471 488152581 /nfs/dbraw/zinc/15/25/81/488152581.db2.gz GZIBXNRFVVWHDH-RKDXNWHRSA-N 0 3 202.298 0.465 20 0 BCADHN COC[C@H](C(N)=O)N(C)CC1CCCC1 ZINC000339354327 488153176 /nfs/dbraw/zinc/15/31/76/488153176.db2.gz HCOQBDWSLBGVSC-SNVBAGLBSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@H](CN[C@@H]1CO[C@@H](C2CC2)C1)S(C)(=O)=O ZINC000667914518 488156578 /nfs/dbraw/zinc/15/65/78/488156578.db2.gz JNZSSAYZHAYDIV-DVVUODLYSA-N 0 3 247.360 0.577 20 0 BCADHN COCCCN1CCC[C@@]12CCNC2=O ZINC000518996013 488158583 /nfs/dbraw/zinc/15/85/83/488158583.db2.gz QUKCOCZVDXEVMN-NSHDSACASA-N 0 3 212.293 0.377 20 0 BCADHN CCn1cc(CN[C@H](C)[C@@H]2CCOC2)nn1 ZINC000404444226 488160932 /nfs/dbraw/zinc/16/09/32/488160932.db2.gz ZDDURRAVQSFFJZ-NXEZZACHSA-N 0 3 224.308 0.813 20 0 BCADHN CN1CCC[C@H]1C(=O)N(CCCO)C1CC1 ZINC000677937971 488161731 /nfs/dbraw/zinc/16/17/31/488161731.db2.gz LQJKDDZBAOCVNV-NSHDSACASA-N 0 3 226.320 0.454 20 0 BCADHN CN1CCC[C@@H]1C(=O)N(CCCO)C1CC1 ZINC000677937970 488161748 /nfs/dbraw/zinc/16/17/48/488161748.db2.gz LQJKDDZBAOCVNV-LLVKDONJSA-N 0 3 226.320 0.454 20 0 BCADHN c1[nH]nc2c1CC[C@H](NCc1cncnc1)C2 ZINC000532075209 488164658 /nfs/dbraw/zinc/16/46/58/488164658.db2.gz RVFNYRVNRXMCHG-NSHDSACASA-N 0 3 229.287 0.847 20 0 BCADHN CCn1cc(CNC(=O)[C@@H](N)C(C)(C)C)nn1 ZINC000404464425 488164814 /nfs/dbraw/zinc/16/48/14/488164814.db2.gz RGRIWBGCPMAEDS-SECBINFHSA-N 0 3 239.323 0.288 20 0 BCADHN C[C@@H]1SCC[C@@H]1NC(=O)[C@@H](N)CC(F)F ZINC000379997739 488165695 /nfs/dbraw/zinc/16/56/95/488165695.db2.gz KNIXBQQPZRMLDL-ACZMJKKPSA-N 0 3 238.303 0.979 20 0 BCADHN COC[C@H](CCO)N[C@@H]1CCCn2nccc21 ZINC000657888515 488167739 /nfs/dbraw/zinc/16/77/39/488167739.db2.gz MIFKALSUGNNXSF-WDEREUQCSA-N 0 3 239.319 0.705 20 0 BCADHN COCCNCC(=O)N[C@@H]1CCS[C@H]1C ZINC000380028769 488167950 /nfs/dbraw/zinc/16/79/50/488167950.db2.gz ZUKWDPDENMUABV-DTWKUNHWSA-N 0 3 232.349 0.233 20 0 BCADHN C[C@@H](O)C[C@H]1CCCN1CC(=O)NC1CC1 ZINC000159381690 488170193 /nfs/dbraw/zinc/17/01/93/488170193.db2.gz CDRIRLYNUOHGID-MWLCHTKSSA-N 0 3 226.320 0.500 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000167463787 488171168 /nfs/dbraw/zinc/17/11/68/488171168.db2.gz DXYVBZHPARPPBC-HBNTYKKESA-N 0 3 228.336 0.508 20 0 BCADHN O=C([C@H]1CCCCN1)N1CCCc2n[nH]cc2C1 ZINC000404627660 488172288 /nfs/dbraw/zinc/17/22/88/488172288.db2.gz SQKSADNBNJVGFT-GFCCVEGCSA-N 0 3 248.330 0.827 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C(C)(C)C(N)=O)CCN1C ZINC000683485683 488174505 /nfs/dbraw/zinc/17/45/05/488174505.db2.gz FRUDPFSBJFYPLL-RKDXNWHRSA-N 0 3 241.335 0.097 20 0 BCADHN CCOCCN1CCC[C@]12CCNC2=O ZINC000519638121 488179270 /nfs/dbraw/zinc/17/92/70/488179270.db2.gz AFMFNRSXRODOKX-LLVKDONJSA-N 0 3 212.293 0.377 20 0 BCADHN Cc1nc(CCN(C)C[C@H](C)CO)no1 ZINC000678045563 488181108 /nfs/dbraw/zinc/18/11/08/488181108.db2.gz DCVNFWXYIRAYEZ-QMMMGPOBSA-N 0 3 213.281 0.481 20 0 BCADHN CCc1nn(C)cc1NC(=O)CNC(C)C ZINC000231085331 488182954 /nfs/dbraw/zinc/18/29/54/488182954.db2.gz KQTJIMSEUUFZST-UHFFFAOYSA-N 0 3 224.308 0.919 20 0 BCADHN CCOCC[C@H](O)CN1CCCOC[C@H]1C ZINC000683522332 488183524 /nfs/dbraw/zinc/18/35/24/488183524.db2.gz XUWHPORPHVSZIK-NEPJUHHUSA-N 0 3 231.336 0.885 20 0 BCADHN CCC[C@H](C)NC(=O)C[C@@H]1CNCCO1 ZINC000085618846 488190662 /nfs/dbraw/zinc/19/06/62/488190662.db2.gz ICMNHXNTUVMNDB-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN CC(C)CCN(C)C(=O)C[C@H]1CNCCO1 ZINC000085619537 488190907 /nfs/dbraw/zinc/19/09/07/488190907.db2.gz UYDGTSCURPCKKY-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN O=C(C[C@H]1CNCCO1)NCCC1CC1 ZINC000085620465 488190968 /nfs/dbraw/zinc/19/09/68/488190968.db2.gz QTNKZCZJINFNRX-JTQLQIEISA-N 0 3 212.293 0.281 20 0 BCADHN O=C1[C@H](N[C@@H]2CCCOC2)C[C@@H]2CCCCN12 ZINC000453411158 488191588 /nfs/dbraw/zinc/19/15/88/488191588.db2.gz AHDCECHJBJNIDX-GRYCIOLGSA-N 0 3 238.331 0.908 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CNCCO2)[C@H](C)CO1 ZINC000043802236 488208971 /nfs/dbraw/zinc/20/89/71/488208971.db2.gz GNNGCVRRCAIGQZ-MXWKQRLJSA-N 0 3 214.309 0.084 20 0 BCADHN C(C1CC1)N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000043802725 488209183 /nfs/dbraw/zinc/20/91/83/488209183.db2.gz UHWUYVFZVAGNQN-ZDUSSCGKSA-N 0 3 239.363 0.002 20 0 BCADHN C[C@@H]1CN(CCn2ccccc2=O)[C@H](C)CN1C ZINC000678172686 488212432 /nfs/dbraw/zinc/21/24/32/488212432.db2.gz IAKOPPNCAOZRND-CHWSQXEVSA-N 0 3 249.358 0.873 20 0 BCADHN CC1(C)CNCCN1C(=O)N1CCOCC1 ZINC000085963597 488220864 /nfs/dbraw/zinc/22/08/64/488220864.db2.gz OSPJEQBJPCHDDT-UHFFFAOYSA-N 0 3 227.308 0.122 20 0 BCADHN Nc1cc(CN2CCc3cn[nH]c3C2)ccn1 ZINC000683784419 488221191 /nfs/dbraw/zinc/22/11/91/488221191.db2.gz WSKKIUAPPUYECY-UHFFFAOYSA-N 0 3 229.287 0.945 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H](C)C[C@H](C)O ZINC000398651049 488221616 /nfs/dbraw/zinc/22/16/16/488221616.db2.gz YLGGFOFYXIPQPR-VGMNWLOBSA-N 0 3 202.298 0.118 20 0 BCADHN Cc1nccnc1C(=O)N(C)CCN1CCCC1 ZINC000668199442 488221735 /nfs/dbraw/zinc/22/17/35/488221735.db2.gz VBJNVXYVQONXFH-UHFFFAOYSA-N 0 3 248.330 0.953 20 0 BCADHN CCNC(=O)CN(C)C[C@@H]1CCSC1 ZINC000683826557 488227047 /nfs/dbraw/zinc/22/70/47/488227047.db2.gz VFBRXNBPKLVVHK-VIFPVBQESA-N 0 3 216.350 0.807 20 0 BCADHN CNS(=O)(=O)C[C@@H]1CCCN1CC1(C)CC1 ZINC000683832596 488229797 /nfs/dbraw/zinc/22/97/97/488229797.db2.gz SCXDAVRQEIBTBD-JTQLQIEISA-N 0 3 246.376 0.800 20 0 BCADHN c1cn(C[C@H]2CCCN(Cc3cn[nH]c3)C2)nn1 ZINC000678341516 488242897 /nfs/dbraw/zinc/24/28/97/488242897.db2.gz UXONPFULSWSZJE-NSHDSACASA-N 0 3 246.318 0.913 20 0 BCADHN CN[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000036852963 488245527 /nfs/dbraw/zinc/24/55/27/488245527.db2.gz BWOZGMBKOOYJOW-SECBINFHSA-N 0 3 204.229 0.538 20 0 BCADHN Cc1nn(C)cc1CNC[C@H]1CCCC(=O)N1 ZINC000683934176 488247316 /nfs/dbraw/zinc/24/73/16/488247316.db2.gz XQBJIQDQNSTTCE-LLVKDONJSA-N 0 3 236.319 0.487 20 0 BCADHN Cc1ncc(CNC[C@@H]2CCCC(=O)N2)cn1 ZINC000683933901 488247477 /nfs/dbraw/zinc/24/74/77/488247477.db2.gz UWGMRPNNJDGOID-NSHDSACASA-N 0 3 234.303 0.543 20 0 BCADHN C[C@@H](C(=O)N1CCN(C)[C@H](C)[C@H]1C)N(C)C ZINC000678430464 488255882 /nfs/dbraw/zinc/25/58/82/488255882.db2.gz QPMSBYNXPYIDIV-MXWKQRLJSA-N 0 3 227.352 0.488 20 0 BCADHN C[C@@H]1[C@H](C)N(Cc2ccn(C)c(=O)c2)CCN1C ZINC000678469876 488258243 /nfs/dbraw/zinc/25/82/43/488258243.db2.gz QFWUJTHSHBUBBP-NEPJUHHUSA-N 0 3 249.358 0.910 20 0 BCADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CCCCO ZINC000678475739 488258850 /nfs/dbraw/zinc/25/88/50/488258850.db2.gz GLPHFHQSKQRTAD-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)n1cc(CNCCc2nnnn2C)cn1 ZINC000678498775 488261544 /nfs/dbraw/zinc/26/15/44/488261544.db2.gz CIEWBEQGPVAGRF-UHFFFAOYSA-N 0 3 249.322 0.320 20 0 BCADHN COc1ccccc1CNCCc1nnnn1C ZINC000678498811 488262797 /nfs/dbraw/zinc/26/27/97/488262797.db2.gz FCYPMXXEEUZHIL-UHFFFAOYSA-N 0 3 247.302 0.551 20 0 BCADHN Cn1nnnc1CCNCc1ccccc1F ZINC000678499651 488263137 /nfs/dbraw/zinc/26/31/37/488263137.db2.gz UUMQNGYISXTHJW-UHFFFAOYSA-N 0 3 235.266 0.682 20 0 BCADHN Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000684089342 488265232 /nfs/dbraw/zinc/26/52/32/488265232.db2.gz UHROVXPYLOXRRV-DCAQKATOSA-N 0 3 248.330 0.703 20 0 BCADHN Cc1cc(=O)[n-]c([C@@H](C)N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000684089345 488265243 /nfs/dbraw/zinc/26/52/43/488265243.db2.gz UHROVXPYLOXRRV-MXWKQRLJSA-N 0 3 248.330 0.703 20 0 BCADHN C[C@H](NCCc1nnnn1C)c1ccccn1 ZINC000678548417 488266050 /nfs/dbraw/zinc/26/60/50/488266050.db2.gz ZQJYIGKTPBDNJR-VIFPVBQESA-N 0 3 232.291 0.498 20 0 BCADHN CCn1cc([C@H](C)NCCc2nnnn2C)cn1 ZINC000678547187 488266108 /nfs/dbraw/zinc/26/61/08/488266108.db2.gz CSDKTYBAUOVGQI-VIFPVBQESA-N 0 3 249.322 0.320 20 0 BCADHN Cc1noc(C(=O)N2CCC[C@H](N(C)C)C2)n1 ZINC000684191882 488273807 /nfs/dbraw/zinc/27/38/07/488273807.db2.gz JIVXCEZRQGPWOF-VIFPVBQESA-N 0 3 238.291 0.544 20 0 BCADHN C[C@H](CO)CN1CCN([C@H]2CCOC2)CC1 ZINC000678627434 488274375 /nfs/dbraw/zinc/27/43/75/488274375.db2.gz SKBONXYEXKNRDH-RYUDHWBXSA-N 0 3 228.336 0.021 20 0 BCADHN C[C@@H]1C[C@H](C)N1CCN1C(=O)CCC1=O ZINC000684207887 488276681 /nfs/dbraw/zinc/27/66/81/488276681.db2.gz BYUZMFPGSWMVAX-DTORHVGOSA-N 0 3 210.277 0.618 20 0 BCADHN CN1CCC[C@@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC000684276499 488284912 /nfs/dbraw/zinc/28/49/12/488284912.db2.gz NGHFEJDLUVQIPD-SSDOTTSWSA-N 0 3 241.316 0.673 20 0 BCADHN CC(=O)CCC(=O)N[C@@H]1CCC[C@H]1N(C)C ZINC000673425119 488286336 /nfs/dbraw/zinc/28/63/36/488286336.db2.gz DJHGQYWSENVAJL-GHMZBOCLSA-N 0 3 226.320 0.955 20 0 BCADHN C[C@H](CNC(=O)c1ccn(C(F)F)n1)N(C)C ZINC000678817060 488286533 /nfs/dbraw/zinc/28/65/33/488286533.db2.gz PYCDROQRXCSKSF-SSDOTTSWSA-N 0 3 246.261 0.958 20 0 BCADHN CCCCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673511386 488292193 /nfs/dbraw/zinc/29/21/93/488292193.db2.gz QLTPXJZJKSQWBJ-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673516345 488292288 /nfs/dbraw/zinc/29/22/88/488292288.db2.gz OEKIIHKJSIMTOV-QWRGUYRKSA-N 0 3 226.320 0.310 20 0 BCADHN CC(C)CC(=O)N[C@@H](CO)CN1CCCC1 ZINC000673532428 488294864 /nfs/dbraw/zinc/29/48/64/488294864.db2.gz TWPWMONEAOXVEN-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H]1CCCCN1CCN1C(=O)CN(C)C1=O ZINC000679130306 488311389 /nfs/dbraw/zinc/31/13/89/488311389.db2.gz GYLWXEAUNIJMPH-SNVBAGLBSA-N 0 3 239.319 0.755 20 0 BCADHN C[C@H]1CCCCN1CCN1C(=O)CN(C)C1=O ZINC000679130305 488312011 /nfs/dbraw/zinc/31/20/11/488312011.db2.gz GYLWXEAUNIJMPH-JTQLQIEISA-N 0 3 239.319 0.755 20 0 BCADHN C[C@@H]1CN(C(=O)N[C@H]2CCN(C)C2)C[C@H](C)O1 ZINC000679151336 488313790 /nfs/dbraw/zinc/31/37/90/488313790.db2.gz RASWIRJHEBVTBU-AXFHLTTASA-N 0 3 241.335 0.509 20 0 BCADHN CNC(=O)CCN1CC[C@@H](C)[C@H](F)C1 ZINC000679220813 488315236 /nfs/dbraw/zinc/31/52/36/488315236.db2.gz FEEJIVZTEDODQF-RKDXNWHRSA-N 0 3 202.273 0.802 20 0 BCADHN C[C@@](O)(CO)CNCC1=Cc2ccccc2OC1 ZINC000684539379 488326735 /nfs/dbraw/zinc/32/67/35/488326735.db2.gz ZTHQTEMNLYLPBT-AWEZNQCLSA-N 0 3 249.310 0.795 20 0 BCADHN Cc1cccc2ncc(CNC[C@](C)(O)CO)n21 ZINC000684536853 488326832 /nfs/dbraw/zinc/32/68/32/488326832.db2.gz WOYVTHWIGBGJIL-ZDUSSCGKSA-N 0 3 249.314 0.476 20 0 BCADHN CC[C@@H](C)N1CCN(CCOCCO)CC1 ZINC000055068941 488341123 /nfs/dbraw/zinc/34/11/23/488341123.db2.gz ORPYACJKAGXGBF-GFCCVEGCSA-N 0 3 230.352 0.411 20 0 BCADHN C[C@@H](CCCCO)N[C@@H](CO)c1cnn(C)c1 ZINC000679358308 488345410 /nfs/dbraw/zinc/34/54/10/488345410.db2.gz AGFDNTHEHFNLFD-JQWIXIFHSA-N 0 3 241.335 0.594 20 0 BCADHN CC[C@H]1CN(C)CCCN1C(=O)c1cc[nH]n1 ZINC000684823976 488346775 /nfs/dbraw/zinc/34/67/75/488346775.db2.gz XAMDQQBMULIMKW-JTQLQIEISA-N 0 3 236.319 0.966 20 0 BCADHN CN1CC2(C1)CCN(C(=O)Cc1ccn[nH]1)C2 ZINC000684845667 488348963 /nfs/dbraw/zinc/34/89/63/488348963.db2.gz QQVWAFAHQGZQBP-UHFFFAOYSA-N 0 3 234.303 0.116 20 0 BCADHN CN(C(=O)c1cnnn1C)[C@H]1CCN(C2CC2)C1 ZINC000684907706 488352082 /nfs/dbraw/zinc/35/20/82/488352082.db2.gz OXHMXYJLBXPEDZ-JTQLQIEISA-N 0 3 249.318 0.124 20 0 BCADHN Cc1nn(C(C)C)cc1CNC[C@@](C)(O)CO ZINC000684929214 488353682 /nfs/dbraw/zinc/35/36/82/488353682.db2.gz UOGXRFUGEZTSEP-GFCCVEGCSA-N 0 3 241.335 0.605 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CNCCO2)C[C@H](C)S1 ZINC000070651218 490111728 /nfs/dbraw/zinc/11/17/28/490111728.db2.gz GXPMSKBXEJMHPY-AXFHLTTASA-N 0 3 230.377 0.801 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000227332260 490118033 /nfs/dbraw/zinc/11/80/33/490118033.db2.gz XIGVLSBHEGMKQE-GXTWGEPZSA-N 0 3 248.326 0.759 20 0 BCADHN Cn1ncc2c1CCC[C@H]2NC[C@@H]1CCC(=O)N1 ZINC000079927685 490128277 /nfs/dbraw/zinc/12/82/77/490128277.db2.gz ICTXGMGRWGWUQM-GXSJLCMTSA-N 0 3 248.330 0.666 20 0 BCADHN CC[C@@H](C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655299784 490145708 /nfs/dbraw/zinc/14/57/08/490145708.db2.gz QFTQIRFOILFQEE-OUAUKWLOSA-N 0 3 226.320 0.310 20 0 BCADHN Cc1cncnc1NCCOCCN(C)C ZINC000641479729 490149088 /nfs/dbraw/zinc/14/90/88/490149088.db2.gz GXVUGZHWRRNWHB-UHFFFAOYSA-N 0 3 224.308 0.775 20 0 BCADHN CCc1nn(C)cc1CN[C@H](CCO)COC ZINC000220981282 490163263 /nfs/dbraw/zinc/16/32/63/490163263.db2.gz SBGJDZXQCKYZKJ-LLVKDONJSA-N 0 3 241.335 0.470 20 0 BCADHN O=C1NCCCC[C@H]1N[C@@H]1CCCOC1 ZINC000069606532 490174524 /nfs/dbraw/zinc/17/45/24/490174524.db2.gz VNZMMKGGMMUXLR-NXEZZACHSA-N 0 3 212.293 0.424 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@H]2COC[C@@]2(C)C1 ZINC000661696974 490174733 /nfs/dbraw/zinc/17/47/33/490174733.db2.gz NOJCPPOMHHOFHP-JFGNBEQYSA-N 0 3 226.320 0.431 20 0 BCADHN O=C1NCCCC[C@@H]1N[C@H]1CCCOC1 ZINC000069606535 490175138 /nfs/dbraw/zinc/17/51/38/490175138.db2.gz VNZMMKGGMMUXLR-UWVGGRQHSA-N 0 3 212.293 0.424 20 0 BCADHN Cn1cc2c(n1)CCC[C@H]2N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652259410 490176765 /nfs/dbraw/zinc/17/67/65/490176765.db2.gz MZYUZSDFZIUIDU-WCABBAIRSA-N 0 3 248.330 0.651 20 0 BCADHN O=c1ccccn1CCN(CCO)C1CCC1 ZINC000221171095 490181184 /nfs/dbraw/zinc/18/11/84/490181184.db2.gz OLVOSGWCTYCWKS-UHFFFAOYSA-N 0 3 236.315 0.695 20 0 BCADHN C[C@H](CO)CN1CCCN(CC(F)F)CC1 ZINC000130074325 490218482 /nfs/dbraw/zinc/21/84/82/490218482.db2.gz NWFUOTCQRYPWHM-JTQLQIEISA-N 0 3 236.306 0.888 20 0 BCADHN Cn1nnc2c1CC[C@@H](NCc1cncs1)C2 ZINC000655843218 490260804 /nfs/dbraw/zinc/26/08/04/490260804.db2.gz SYPMMPACIDGURM-MRVPVSSYSA-N 0 3 249.343 0.919 20 0 BCADHN COC(=O)CCCCCNC(=O)CNC1CC1 ZINC000237145409 490279847 /nfs/dbraw/zinc/27/98/47/490279847.db2.gz SBGWJZXWHCFLTI-UHFFFAOYSA-N 0 3 242.319 0.588 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CCC2(CCO2)CC1 ZINC000558658330 490287683 /nfs/dbraw/zinc/28/76/83/490287683.db2.gz IQDZKUSXSWURBK-VHSXEESVSA-N 0 3 213.277 0.001 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCN(c2nccnn2)CC1 ZINC000625644460 490318935 /nfs/dbraw/zinc/31/89/35/490318935.db2.gz HZZGQGAGHPBWGX-GHMZBOCLSA-N 0 3 233.319 0.650 20 0 BCADHN C[C@H]1C[C@H]1CN1CCN(c2nccnn2)CC1 ZINC000625644462 490318998 /nfs/dbraw/zinc/31/89/98/490318998.db2.gz HZZGQGAGHPBWGX-QWRGUYRKSA-N 0 3 233.319 0.650 20 0 BCADHN O=c1c2c(ncn1C[C@H]1CNCCO1)CCCC2 ZINC000395508911 490339129 /nfs/dbraw/zinc/33/91/29/490339129.db2.gz VXURHUQXTCIGAH-SNVBAGLBSA-N 0 3 249.314 0.111 20 0 BCADHN CC[C@H](N)c1cn(Cc2ccno2)nn1 ZINC000229937815 490367314 /nfs/dbraw/zinc/36/73/14/490367314.db2.gz SYHJILAAGFUTFM-QMMMGPOBSA-N 0 3 207.237 0.724 20 0 BCADHN COC[C@H]1CCCN1CCOCCO ZINC000304754368 490385135 /nfs/dbraw/zinc/38/51/35/490385135.db2.gz YULKMTVIZWLSJP-SNVBAGLBSA-N 0 3 203.282 0.106 20 0 BCADHN C[C@@H](NCc1cc[nH]c1)[C@@H]1CN(C)CCO1 ZINC000124861938 490405887 /nfs/dbraw/zinc/40/58/87/490405887.db2.gz GRLCHBNGGCGDIO-PWSUYJOCSA-N 0 3 223.320 0.823 20 0 BCADHN CN(CCN1CCOCC1)C[C@@H](O)C1CC1 ZINC000079769353 490462519 /nfs/dbraw/zinc/46/25/19/490462519.db2.gz UDSFXMZHTVOASE-GFCCVEGCSA-N 0 3 228.336 0.021 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)NC1CC=CC1 ZINC000131007835 490467417 /nfs/dbraw/zinc/46/74/17/490467417.db2.gz VARXBQAJHNCNEC-GFCCVEGCSA-N 0 3 241.335 0.317 20 0 BCADHN Nc1ccc(CN2CCC[C@@H]2CO)cn1 ZINC000050816564 490482667 /nfs/dbraw/zinc/48/26/67/490482667.db2.gz NSMQTXJGINSDLL-SNVBAGLBSA-N 0 3 207.277 0.621 20 0 BCADHN CCn1cc(CN(C)C[C@@H]2CNCCO2)cn1 ZINC000126842809 490521087 /nfs/dbraw/zinc/52/10/87/490521087.db2.gz VVYPIPOQSGEKIS-LBPRGKRZSA-N 0 3 238.335 0.323 20 0 BCADHN C[C@@H](NCC1=CCCOC1)[C@@H]1CN(C)CCO1 ZINC000129282779 490526839 /nfs/dbraw/zinc/52/68/39/490526839.db2.gz LLDPFFUWYYPLHQ-YPMHNXCESA-N 0 3 240.347 0.642 20 0 BCADHN CN(C)c1ccc(CN2CC[C@H](CO)C2)cn1 ZINC000127239342 490542262 /nfs/dbraw/zinc/54/22/62/490542262.db2.gz OKZKJWYXAWFNAJ-LBPRGKRZSA-N 0 3 235.331 0.962 20 0 BCADHN CCCNC(=O)CN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000128512916 490580058 /nfs/dbraw/zinc/58/00/58/490580058.db2.gz SMJHJJAZPDUKAI-QWRGUYRKSA-N 0 3 239.363 0.727 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000128568867 490581827 /nfs/dbraw/zinc/58/18/27/490581827.db2.gz PBMZTTXBIUARSI-GHMZBOCLSA-N 0 3 239.363 0.726 20 0 BCADHN O=S1(=O)CCC[C@@H](CNC2CSC2)C1 ZINC000306417070 490636731 /nfs/dbraw/zinc/63/67/31/490636731.db2.gz RPKHMIAJOYDRSO-QMMMGPOBSA-N 0 3 235.374 0.516 20 0 BCADHN CC[C@]1(NCC(=O)NC2CC2)CCOC1 ZINC000309180292 491052709 /nfs/dbraw/zinc/05/27/09/491052709.db2.gz NOPOHGRZCCFMPD-NSHDSACASA-N 0 3 212.293 0.424 20 0 BCADHN Cc1ncc(CNCC2(CO)CC2)cn1 ZINC000309195419 491052811 /nfs/dbraw/zinc/05/28/11/491052811.db2.gz QKDMURFGXAXPTL-UHFFFAOYSA-N 0 3 207.277 0.647 20 0 BCADHN CN(CCCCCO)CCn1ccccc1=O ZINC000227115980 491055137 /nfs/dbraw/zinc/05/51/37/491055137.db2.gz HVYNIWOOENKCOI-UHFFFAOYSA-N 0 3 238.331 0.943 20 0 BCADHN CCc1nsc(N[C@@H](CO)CN(C)C)n1 ZINC000309057636 491052191 /nfs/dbraw/zinc/05/21/91/491052191.db2.gz VCBNJAIHQHAKRE-SSDOTTSWSA-N 0 3 230.337 0.435 20 0 BCADHN COC(C)(C)CC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644815349 491072385 /nfs/dbraw/zinc/07/23/85/491072385.db2.gz PAKXCIHGFQATIN-QWRGUYRKSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C1CC1)N(C)C ZINC000087557952 491090248 /nfs/dbraw/zinc/09/02/48/491090248.db2.gz FGFGSKOMNDWZBP-NEPJUHHUSA-N 0 3 242.363 0.802 20 0 BCADHN OC[C@@H]1C[C@H]1NCc1cnn(CC(F)(F)F)c1 ZINC000516842255 491101128 /nfs/dbraw/zinc/10/11/28/491101128.db2.gz UCHPGASIMZJFAF-DTWKUNHWSA-N 0 3 249.236 0.916 20 0 BCADHN CC(C)(N)C(=O)N1CCCC(F)(F)C1 ZINC000259540254 491101900 /nfs/dbraw/zinc/10/19/00/491101900.db2.gz QZATZPMPWOUUKI-UHFFFAOYSA-N 0 3 206.236 0.981 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CCCOC1 ZINC000071013306 491102876 /nfs/dbraw/zinc/10/28/76/491102876.db2.gz KGGJPUSKPLKAQL-SECBINFHSA-N 0 3 200.282 0.280 20 0 BCADHN CCn1ncnc1CN[C@H]1CCN(C2CC2)C1 ZINC000088591051 491106673 /nfs/dbraw/zinc/10/66/73/491106673.db2.gz GUJCCWKMCIGBMP-JTQLQIEISA-N 0 3 235.335 0.624 20 0 BCADHN CC1(CN2CC(N3CC[C@@H](O)C3)C2)CCC1 ZINC000651977750 491120532 /nfs/dbraw/zinc/12/05/32/491120532.db2.gz ZVOHLUBIKKNIPG-GFCCVEGCSA-N 0 3 224.348 0.927 20 0 BCADHN CC[C@@H](C)CN1CC(N2CC[C@@H](O)C2)C1 ZINC000651978003 491121177 /nfs/dbraw/zinc/12/11/77/491121177.db2.gz NJJBMGDHUXHANR-ZYHUDNBSSA-N 0 3 212.337 0.783 20 0 BCADHN CC(C)n1nnnc1SCCN(C)C ZINC000071073010 491121531 /nfs/dbraw/zinc/12/15/31/491121531.db2.gz AJHAXLXOQNXQDN-UHFFFAOYSA-N 0 3 215.326 0.908 20 0 BCADHN COC[C@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000399171829 491123295 /nfs/dbraw/zinc/12/32/95/491123295.db2.gz GNOFFSUHPROHQW-IONNQARKSA-N 0 3 200.282 0.265 20 0 BCADHN COc1ccc(C)cc1CNC[C@@](C)(O)CO ZINC000090286208 491124327 /nfs/dbraw/zinc/12/43/27/491124327.db2.gz FLSQQSQNQLRXNZ-CYBMUJFWSA-N 0 3 239.315 0.837 20 0 BCADHN CCOc1ccccc1CNC[C@](C)(O)CO ZINC000090286595 491124350 /nfs/dbraw/zinc/12/43/50/491124350.db2.gz GJSNVWBWGMGOKB-ZDUSSCGKSA-N 0 3 239.315 0.918 20 0 BCADHN COc1ccc(C)cc1CNC[C@](C)(O)CO ZINC000090286207 491124352 /nfs/dbraw/zinc/12/43/52/491124352.db2.gz FLSQQSQNQLRXNZ-ZDUSSCGKSA-N 0 3 239.315 0.837 20 0 BCADHN COc1ncncc1CNCC(C)(C)N(C)C ZINC000647167116 491124506 /nfs/dbraw/zinc/12/45/06/491124506.db2.gz RNKWBGRNAIXKSL-UHFFFAOYSA-N 0 3 238.335 0.915 20 0 BCADHN COCCOCCN(CC=C(C)C)CCO ZINC000625755494 491125780 /nfs/dbraw/zinc/12/57/80/491125780.db2.gz XWHYOAJIJDEZDL-UHFFFAOYSA-N 0 3 231.336 0.910 20 0 BCADHN 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534190152 /nfs/dbraw/zinc/19/01/52/534190152.db2.gz LSBFVKDHVSSFOG-QMMMGPOBSA-N 0 3 204.339 0.758 20 0 BCADHN Cc1cc(N)nc(NC[C@@H]2COCCO2)n1 ZINC000891916438 582738043 /nfs/dbraw/zinc/73/80/43/582738043.db2.gz BEEFPXUEEQDRLQ-MRVPVSSYSA-N 0 3 224.264 0.195 20 0 BCADHN CC[C@H](CO)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000779811152 582739317 /nfs/dbraw/zinc/73/93/17/582739317.db2.gz VWCWOIAWWLDGMR-UMNHJUIQSA-N 0 3 240.347 0.604 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C\CN(C)C)C[C@H](C)N1C ZINC000493557576 534276072 /nfs/dbraw/zinc/27/60/72/534276072.db2.gz PWDAVZFXGLFKEU-MRJODMTISA-N 0 3 239.363 0.655 20 0 BCADHN C[C@@H](F)CCNC(=O)/C=C\CN(C)C ZINC000493024637 534277324 /nfs/dbraw/zinc/27/73/24/534277324.db2.gz NORKTODKIFQUOA-XRVBUDJMSA-N 0 3 202.273 0.969 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](CC(N)=O)C1CCCCC1 ZINC000491063494 534286874 /nfs/dbraw/zinc/28/68/74/534286874.db2.gz AWXCWNFCLVQYST-SCZZXKLOSA-N 0 3 241.335 0.274 20 0 BCADHN CCCNC(=O)CN[C@@H](C)[C@@H](C)OC ZINC000132173167 517586461 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0.135 20 0 BCADHN CN1CC[C@](O)(CNC(=O)c2ccco2)C1 ZINC000335652060 536480574 /nfs/dbraw/zinc/48/05/74/536480574.db2.gz VISWAPCZLVZTCM-NSHDSACASA-N 0 3 224.260 0.076 20 0 BCADHN COC(CN1CCS[C@@H]2COCC[C@H]21)OC ZINC000248724897 536506134 /nfs/dbraw/zinc/50/61/34/536506134.db2.gz MUIPURJBNAFDON-NXEZZACHSA-N 0 3 247.360 0.812 20 0 BCADHN CC(C)(C)/C=C\C(=O)NC[C@H]1CNCCO1 ZINC000493578999 527554549 /nfs/dbraw/zinc/55/45/49/527554549.db2.gz GJDSYUSECNYFTR-UMCURTJPSA-N 0 3 226.320 0.693 20 0 BCADHN CC(C)[C@H](O)CN1CC[C@H](OC(=O)N(C)C)C1 ZINC000497082468 527731494 /nfs/dbraw/zinc/73/14/94/527731494.db2.gz XOJQTUTZJHNSNJ-WDEREUQCSA-N 0 3 244.335 0.776 20 0 BCADHN CC(C)[C@H](O)CN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000300938828 527732475 /nfs/dbraw/zinc/73/24/75/527732475.db2.gz XJOQDTNXGYSZTB-GMTAPVOTSA-N 0 3 226.320 0.214 20 0 BCADHN CCN(C)C(=O)OC[C@H]1CCCCN1CCO ZINC000495707426 527736365 /nfs/dbraw/zinc/73/63/65/527736365.db2.gz QRRADZJDUNCOND-LLVKDONJSA-N 0 3 244.335 0.922 20 0 BCADHN CCC[C@@](C)(O)CNC(=O)/C=C\CN(C)C ZINC000493555169 527906924 /nfs/dbraw/zinc/90/69/24/527906924.db2.gz RCRKGUHJZKZWIS-ZHRWSRJISA-N 0 3 228.336 0.772 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN(C)[C@H]1C[C@@H](OC)C1 ZINC000510101547 527920135 /nfs/dbraw/zinc/92/01/35/527920135.db2.gz DUFZRDJGNAVTHM-UMNHJUIQSA-N 0 3 245.319 0.410 20 0 BCADHN CCN(CC)CC(=O)NCC(C)(C)OC ZINC000174536364 528086658 /nfs/dbraw/zinc/08/66/58/528086658.db2.gz UGQOECSZUHUJGL-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN CCNC(=O)CN1CCN(C[C@@H]2C[C@H]2C)CC1 ZINC000488326541 528094159 /nfs/dbraw/zinc/09/41/59/528094159.db2.gz GHQLESXSDOXOQO-NEPJUHHUSA-N 0 3 239.363 0.396 20 0 BCADHN COC[C@@H](C)NC(=O)N1CCN2CCC1CC2 ZINC000334427810 536531841 /nfs/dbraw/zinc/53/18/41/536531841.db2.gz HKHIMMLPHKDIDK-SNVBAGLBSA-N 0 3 241.335 0.511 20 0 BCADHN CC1CCN(CCN(CCO)CCO)CC1 ZINC000305218986 528242480 /nfs/dbraw/zinc/24/24/80/528242480.db2.gz SIIVNYIQTMSOKU-UHFFFAOYSA-N 0 3 230.352 0.005 20 0 BCADHN CCN(CCC(=O)OC)C[C@@H]1CN(C)C(=O)O1 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CC[C@H]1CN(C(=O)[C@@H](C)N)C[C@@H](C)O1 ZINC000155635056 536126079 /nfs/dbraw/zinc/12/60/79/536126079.db2.gz DOYUPKHXYCNGCM-HLTSFMKQSA-N 0 3 200.282 0.360 20 0 BCADHN CC[C@H](C)N(C)C(=O)C(C)S(C)(=O)=O ZINC000112787353 536142305 /nfs/dbraw/zinc/14/23/05/536142305.db2.gz RXNZPJBBVYHTMV-YUMQZZPRSA-N 0 3 221.322 0.676 20 0 BCADHN CNS(=O)(=O)NCC(C)(C)CN1CCCC1 ZINC000352158675 536300662 /nfs/dbraw/zinc/30/06/62/536300662.db2.gz MKAZAFXRMZTTFV-UHFFFAOYSA-N 0 3 249.380 0.162 20 0 BCADHN COC(=O)C[C@@H](C)CC(=O)NC[C@H](C)N(C)C ZINC000347916368 536300987 /nfs/dbraw/zinc/30/09/87/536300987.db2.gz SNCFFVZUSKYPMX-UWVGGRQHSA-N 0 3 244.335 0.642 20 0 BCADHN CNC(=O)NC(=O)CN(C)[C@@H]1CCC(C)(C)C1 ZINC000336088076 536321040 /nfs/dbraw/zinc/32/10/40/536321040.db2.gz UGFRFZDUGHHXKP-SECBINFHSA-N 0 3 241.335 0.953 20 0 BCADHN CNC(=O)NC(=O)CN1C[C@H](C)CC(C)(C)C1 ZINC000335992453 536323728 /nfs/dbraw/zinc/32/37/28/536323728.db2.gz FYICLIWTXPGPSX-SECBINFHSA-N 0 3 241.335 0.810 20 0 BCADHN CN(CCCCCO)CC(=O)N1CCC1 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/nfs/dbraw/zinc/37/78/96/536377896.db2.gz IUYYGJSPGDPRMM-JTQLQIEISA-N 0 3 229.324 0.226 20 0 BCADHN CN1CCC[C@]2(CCN(S(C)(=O)=O)C2)C1 ZINC000335367935 536395361 /nfs/dbraw/zinc/39/53/61/536395361.db2.gz DEXUVQGQUUEVTI-JTQLQIEISA-N 0 3 232.349 0.364 20 0 BCADHN CN1CC[C@@H](N2CCC[C@@H](O)CC2)C1=O ZINC000334390986 536451609 /nfs/dbraw/zinc/45/16/09/536451609.db2.gz UPIAKJWHTQSPFA-NXEZZACHSA-N 0 3 212.293 0.064 20 0 BCADHN COC[C@H]1CCN(C(=O)N2CCCNCC2)C1 ZINC000335346840 536537929 /nfs/dbraw/zinc/53/79/29/536537929.db2.gz XPZWBDBUPLWGNF-NSHDSACASA-N 0 3 241.335 0.370 20 0 BCADHN CO[C@H](CN)C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000261593395 536554017 /nfs/dbraw/zinc/55/40/17/536554017.db2.gz WTMVNHPDKYSUGB-GMTAPVOTSA-N 0 3 228.336 0.997 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC2(CCC2)C1 ZINC000261577327 536556598 /nfs/dbraw/zinc/55/65/98/536556598.db2.gz KZAWQQNCFWMPNC-SECBINFHSA-N 0 3 212.293 0.363 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000261534601 536557882 /nfs/dbraw/zinc/55/78/82/536557882.db2.gz MSHLXZYBIBTJTP-LPEHRKFASA-N 0 3 212.293 0.219 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000261532174 536558082 /nfs/dbraw/zinc/55/80/82/536558082.db2.gz JMUBZBBXRDUSLR-IVZWLZJFSA-N 0 3 214.309 0.607 20 0 BCADHN COC[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC000172631702 536565014 /nfs/dbraw/zinc/56/50/14/536565014.db2.gz DNADFAPZQOPKLH-LLVKDONJSA-N 0 3 244.335 0.200 20 0 BCADHN COC1(C)CCN([C@H]2CCCNC2=O)CC1 ZINC000335565395 536566308 /nfs/dbraw/zinc/56/63/08/536566308.db2.gz MTWMMVJUMBWOLY-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)CS(C)(=O)=O ZINC000226896504 536604505 /nfs/dbraw/zinc/60/45/05/536604505.db2.gz SGEDTKAWLWDLLL-HBNTYKKESA-N 0 3 249.376 0.967 20 0 BCADHN COC[C@@H](CNCc1ccccn1)OC ZINC000227707666 536627089 /nfs/dbraw/zinc/62/70/89/536627089.db2.gz OIZXEPUVNAQRKG-LLVKDONJSA-N 0 3 210.277 0.833 20 0 BCADHN COC(=O)[C@H](CNC(=O)[C@H](C)N)CC(C)C ZINC000178156923 536678788 /nfs/dbraw/zinc/67/87/88/536678788.db2.gz VWOWPFNPYJSZGS-IUCAKERBSA-N 0 3 230.308 0.285 20 0 BCADHN COC[C@@H](O)CN1CCC([C@@H](C)O)CC1 ZINC000182270007 536730374 /nfs/dbraw/zinc/73/03/74/536730374.db2.gz XWEYLKJZTGWKJJ-KOLCDFICSA-N 0 3 217.309 0.087 20 0 BCADHN COC[C@@H]1CCCCN([C@@H]2CCN(C)C2=O)C1 ZINC000342744846 536742519 /nfs/dbraw/zinc/74/25/19/536742519.db2.gz UAHYOFYYDJBTDG-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@H]1CC[C@H](NC(=O)C2(N)CCC2)C1 ZINC000234819133 536764041 /nfs/dbraw/zinc/76/40/41/536764041.db2.gz ABBPMSUMKIHUSU-IUCAKERBSA-N 0 3 212.293 0.552 20 0 BCADHN COC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000253152690 536770519 /nfs/dbraw/zinc/77/05/19/536770519.db2.gz JUHCPSGZNZZGOE-UTUOFQBUSA-N 0 3 240.347 0.869 20 0 BCADHN CO[C@H]1C[C@@H](C(N)=O)N(C[C@@H]2CCSC2)C1 ZINC000408034418 536777073 /nfs/dbraw/zinc/77/70/73/536777073.db2.gz SXKLDYLCBRKCMR-GUBZILKMSA-N 0 3 244.360 0.314 20 0 BCADHN COCCN(C)CCCNC(=O)NC(C)C ZINC000060892931 536786446 /nfs/dbraw/zinc/78/64/46/536786446.db2.gz MSJOGXHKGDGAAU-UHFFFAOYSA-N 0 3 231.340 0.662 20 0 BCADHN COCCN(CCCCF)[C@H](C)C(N)=O ZINC000352013703 536834182 /nfs/dbraw/zinc/83/41/82/536834182.db2.gz JZFFSCGYSHEQKY-SECBINFHSA-N 0 3 220.288 0.558 20 0 BCADHN CO[C@H](C(=O)NCCN(C)C)C1CC1 ZINC000349302098 536845442 /nfs/dbraw/zinc/84/54/42/536845442.db2.gz ZSQDJVJTSTVGSZ-VIFPVBQESA-N 0 3 200.282 0.089 20 0 BCADHN COc1ccccc1OCCN(C)CCO ZINC000076991589 537094406 /nfs/dbraw/zinc/09/44/06/537094406.db2.gz XNZCFHLXJUHSPN-UHFFFAOYSA-N 0 3 225.288 0.998 20 0 BCADHN COCC[C@@H](C)N(C)CCNC(=O)N(C)C ZINC000348930111 538028754 /nfs/dbraw/zinc/02/87/54/538028754.db2.gz XTKFOSBDQDPLJQ-SNVBAGLBSA-N 0 3 231.340 0.614 20 0 BCADHN CC1(C)CN(C(=O)CCc2c[nH]cn2)CCN1 ZINC000335875378 538101502 /nfs/dbraw/zinc/10/15/02/538101502.db2.gz CMTFCLZCAAWHOA-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN CC1(C)CN(C(=O)CCc2cnc[nH]2)CCN1 ZINC000335875378 538101504 /nfs/dbraw/zinc/10/15/04/538101504.db2.gz CMTFCLZCAAWHOA-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN C[C@H](CO)CN[C@@H](CO)c1ccsc1 ZINC000379619750 538108073 /nfs/dbraw/zinc/10/80/73/538108073.db2.gz CWNQRPFHDCLKEG-WPRPVWTQSA-N 0 3 215.318 1.000 20 0 BCADHN CCCNC(=O)CCN[C@@H](C)COC(C)=O ZINC000892654138 582940884 /nfs/dbraw/zinc/94/08/84/582940884.db2.gz OJWSJFWDTQEFTH-VIFPVBQESA-N 0 3 230.308 0.444 20 0 BCADHN Cn1ccc(CN2CC[C@H](c3nc[nH]n3)C2)n1 ZINC000333463998 566380019 /nfs/dbraw/zinc/38/00/19/566380019.db2.gz MHUBECAJYNITPJ-VIFPVBQESA-N 0 3 232.291 0.528 20 0 BCADHN Cc1nc(C)c(S(=O)(=O)[N-]C[C@H](C)[NH3+])s1 ZINC000195295859 566460547 /nfs/dbraw/zinc/46/05/47/566460547.db2.gz BRRSPGWWFUMMOQ-YFKPBYRVSA-N 0 3 249.361 0.385 20 0 BCADHN COC[C@@](C)(CCO)NC[C@@H]1COC(C)(C)O1 ZINC000851807498 582967909 /nfs/dbraw/zinc/96/79/09/582967909.db2.gz GYFPAOZPILRLGX-ZYHUDNBSSA-N 0 3 247.335 0.515 20 0 BCADHN Cc1cc(N)nc(N[C@@H](C)CC[S@@](C)=O)n1 ZINC000892721201 582968160 /nfs/dbraw/zinc/96/81/60/582968160.db2.gz PCFSXALYBGPARU-HYORBCNSSA-N 0 3 242.348 0.936 20 0 BCADHN Cc1cc(N)nc(N[C@H](C)CC[S@](C)=O)n1 ZINC000892721202 582968257 /nfs/dbraw/zinc/96/82/57/582968257.db2.gz PCFSXALYBGPARU-QZTNRIJFSA-N 0 3 242.348 0.936 20 0 BCADHN COC[C@@H](C)NC[C@@H](O)c1ccccn1 ZINC000852019232 582992773 /nfs/dbraw/zinc/99/27/73/582992773.db2.gz VVQOQWOTRSFAON-MWLCHTKSSA-N 0 3 210.277 0.740 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1C[C@@H]1CCC(=O)O1 ZINC000852089516 582999513 /nfs/dbraw/zinc/99/95/13/582999513.db2.gz OXOUSKMZRMPAQB-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN Cc1cc(N)nc(N[C@H](C)CCCO)n1 ZINC000892884186 583005247 /nfs/dbraw/zinc/00/52/47/583005247.db2.gz WJURRMWSLXIGAH-SSDOTTSWSA-N 0 3 210.281 0.940 20 0 BCADHN COc1ccc(CN[C@H](C)CCO)nc1 ZINC000893005388 583029339 /nfs/dbraw/zinc/02/93/39/583029339.db2.gz SPPJBWSVUBINHY-SECBINFHSA-N 0 3 210.277 0.951 20 0 BCADHN C[C@@H]1CN(c2cc(=O)[nH]cn2)[C@H](C)CN1C ZINC000893080857 583044429 /nfs/dbraw/zinc/04/44/29/583044429.db2.gz STUWTKYIXXNRNK-RKDXNWHRSA-N 0 3 222.292 0.711 20 0 BCADHN CNC(=O)[C@@H](N[C@H](C)COCCOC)C(C)C ZINC000893191508 583067908 /nfs/dbraw/zinc/06/79/08/583067908.db2.gz OCRYTZLXMABLGX-MNOVXSKESA-N 0 3 246.351 0.398 20 0 BCADHN CCN1CCN(c2cc(=O)[nH]cn2)[C@@H](C)C1 ZINC000893824652 583229679 /nfs/dbraw/zinc/22/96/79/583229679.db2.gz ACGJKYZITYNCIF-VIFPVBQESA-N 0 3 222.292 0.713 20 0 BCADHN Cc1cc(N)nc(N[C@@H](C)CN(C)C)n1 ZINC000893855825 583232951 /nfs/dbraw/zinc/23/29/51/583232951.db2.gz GSXIMHWFRGQTBK-QMMMGPOBSA-N 0 3 209.297 0.729 20 0 BCADHN Cc1n[nH]c(CN2CC[C@@H](CO)C2)c1C ZINC000893987716 583269665 /nfs/dbraw/zinc/26/96/65/583269665.db2.gz ZXCMGFQQWQWADL-SNVBAGLBSA-N 0 3 209.293 0.841 20 0 BCADHN Cc1[nH]nc(CN2CC[C@@H](CO)C2)c1C ZINC000893987716 583269667 /nfs/dbraw/zinc/26/96/67/583269667.db2.gz ZXCMGFQQWQWADL-SNVBAGLBSA-N 0 3 209.293 0.841 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CNC[C@H]2CCCO2)C1(F)F ZINC000894145348 583317897 /nfs/dbraw/zinc/31/78/97/583317897.db2.gz ALBORIWDAVHDIU-HLTSFMKQSA-N 0 3 249.257 0.809 20 0 BCADHN CN(C)CCNC(=S)N1CC2CC1(C)C2 ZINC000853057697 588717979 /nfs/dbraw/zinc/71/79/79/588717979.db2.gz SSMIOEPGYFGYEK-UHFFFAOYSA-N 0 3 227.377 0.907 20 0 BCADHN Nc1nc(Cl)cc(N2CC[C@@H](F)[C@H](N)C2)n1 ZINC000853058244 588718072 /nfs/dbraw/zinc/71/80/72/588718072.db2.gz SKSNSNDMCBXRBI-PHDIDXHHSA-N 0 3 245.689 0.588 20 0 BCADHN Cc1cc(CNC[C@@H](O)c2ccccn2)n(C)n1 ZINC000853105656 588720594 /nfs/dbraw/zinc/72/05/94/588720594.db2.gz JRWWOMGOYMAPEX-CYBMUJFWSA-N 0 3 246.314 0.947 20 0 BCADHN CC(C)[C@H](O)CNC[C@@H](O)c1ccccn1 ZINC000853110319 588719265 /nfs/dbraw/zinc/71/92/65/588719265.db2.gz YDZMTLHGXLWSDE-VXGBXAGGSA-N 0 3 224.304 0.722 20 0 BCADHN Cc1n[nH]cc1CNC[C@H](O)c1ccccn1 ZINC000853096761 588719685 /nfs/dbraw/zinc/71/96/85/588719685.db2.gz LJWYNKFXORWQGU-LBPRGKRZSA-N 0 3 232.287 0.936 20 0 BCADHN O[C@@H](CN[C@@H]1CCOC1)c1ccccn1 ZINC000853101914 588720334 /nfs/dbraw/zinc/72/03/34/588720334.db2.gz DKBXALKXQCEXDX-KOLCDFICSA-N 0 3 208.261 0.494 20 0 BCADHN O[C@H](CNC1COCCOC1)c1ccccn1 ZINC000853106417 588720697 /nfs/dbraw/zinc/72/06/97/588720697.db2.gz ZCTHKHUIEIKUKA-GFCCVEGCSA-N 0 3 238.287 0.120 20 0 BCADHN O[C@@H](CNCCOCC(F)F)c1ccccn1 ZINC000853106052 588720762 /nfs/dbraw/zinc/72/07/62/588720762.db2.gz ZZJYAZAOICLWCR-JTQLQIEISA-N 0 3 246.257 0.986 20 0 BCADHN COC(=O)NCCNC[C@H](O)c1ccccn1 ZINC000853107862 588720942 /nfs/dbraw/zinc/72/09/42/588720942.db2.gz ZCIOIAFJYVBIQX-JTQLQIEISA-N 0 3 239.275 0.061 20 0 BCADHN C[C@@H](CCO)NC[C@@H](O)c1ccccn1 ZINC000853110186 588721350 /nfs/dbraw/zinc/72/13/50/588721350.db2.gz WUKLFSJGFLPDML-GXSJLCMTSA-N 0 3 210.277 0.476 20 0 BCADHN C[C@H](CCO)NC[C@H](O)c1ccccn1 ZINC000853110188 588721392 /nfs/dbraw/zinc/72/13/92/588721392.db2.gz WUKLFSJGFLPDML-KOLCDFICSA-N 0 3 210.277 0.476 20 0 BCADHN C[C@@H]1COC[C@H]1OC(=O)C1CCN(C)C1=O ZINC000853197079 588724551 /nfs/dbraw/zinc/72/45/51/588724551.db2.gz LZLDOQVYEZMTRF-HRDYMLBCSA-N 0 3 227.260 0.043 20 0 BCADHN CO[C@H]1C[C@H](N[C@H]2CCNC2=O)C12CCC2 ZINC000853236934 588728265 /nfs/dbraw/zinc/72/82/65/588728265.db2.gz KHDIGNWTODHDBW-GUBZILKMSA-N 0 3 224.304 0.422 20 0 BCADHN CC/C=C(\C)C(=O)N1CCOC2(CNC2)C1 ZINC000853244649 588728499 /nfs/dbraw/zinc/72/84/99/588728499.db2.gz AQXZSPODOIHCMQ-ONNFQVAWSA-N 0 3 224.304 0.544 20 0 BCADHN Cn1cc(CN2CCC3(CC2)OCCO3)cn1 ZINC000111356244 588744436 /nfs/dbraw/zinc/74/44/36/588744436.db2.gz BYWLHJYMWVOAMM-UHFFFAOYSA-N 0 3 237.303 0.759 20 0 BCADHN Cc1nn(CN2C[C@@H](C)N(C)[C@@H](C)C2)c(=O)o1 ZINC000853515502 588747164 /nfs/dbraw/zinc/74/71/64/588747164.db2.gz WQTAQDUSTPEKMW-DTORHVGOSA-N 0 3 240.307 0.127 20 0 BCADHN Fc1cnc(N2CCN3CCC2CC3)cn1 ZINC000853522629 588747563 /nfs/dbraw/zinc/74/75/63/588747563.db2.gz PEDIMYLDSWZUFY-UHFFFAOYSA-N 0 3 222.267 0.900 20 0 BCADHN Cc1nc(C)c(C)c(N[C@H](CO)CN(C)C)n1 ZINC000853623664 588750800 /nfs/dbraw/zinc/75/08/00/588750800.db2.gz CWEHKTJJKKVNND-NSHDSACASA-N 0 3 238.335 0.736 20 0 BCADHN CO[C@H](C)C(=N)NOCc1nonc1C ZINC000853673533 588754745 /nfs/dbraw/zinc/75/47/45/588754745.db2.gz FZDDCVFLPCJCLT-ZCFIWIBFSA-N 0 3 214.225 0.411 20 0 BCADHN C[C@@H](CCNC(=O)NCC[S@@](C)=O)N(C)C ZINC000853782917 588763193 /nfs/dbraw/zinc/76/31/93/588763193.db2.gz ABUYIYCQAVMLJX-XXFAHNHDSA-N 0 3 249.380 0.004 20 0 BCADHN CN(C)c1ccnc(N(C)CC2CN(C)C2)n1 ZINC000853824580 588764741 /nfs/dbraw/zinc/76/47/41/588764741.db2.gz KJPVZQWNVNHLLB-UHFFFAOYSA-N 0 3 235.335 0.540 20 0 BCADHN O=C(/C=C/C1CC1)N1CCOC2(CNC2)C1 ZINC000854014896 588771901 /nfs/dbraw/zinc/77/19/01/588771901.db2.gz DKKYXUNWHCGZNG-ONEGZZNKSA-N 0 3 222.288 0.153 20 0 BCADHN CCN(C(=O)NOCCOC)[C@H]1CCN(C)C1 ZINC000854027971 588772081 /nfs/dbraw/zinc/77/20/81/588772081.db2.gz FJJBQQINHJVZIV-JTQLQIEISA-N 0 3 245.323 0.300 20 0 BCADHN CCN(C(=O)NOCCOC)[C@@H]1CCN(C)C1 ZINC000854027972 588772247 /nfs/dbraw/zinc/77/22/47/588772247.db2.gz FJJBQQINHJVZIV-SNVBAGLBSA-N 0 3 245.323 0.300 20 0 BCADHN c1cnc(CN[C@H](C2CC2)[C@@H]2CNCCO2)nc1 ZINC000854228352 588781119 /nfs/dbraw/zinc/78/11/19/588781119.db2.gz PDUFSQMGOUJALS-WCQYABFASA-N 0 3 248.330 0.333 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@@H]1NCC1=CCCC1 ZINC000854226360 588780619 /nfs/dbraw/zinc/78/06/19/588780619.db2.gz AMHRRXOSSONSGP-RYUDHWBXSA-N 0 3 238.331 0.980 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C1(F)CCCCC1 ZINC000854465903 588788631 /nfs/dbraw/zinc/78/86/31/588788631.db2.gz UOFIXNOBELJDEX-SNVBAGLBSA-N 0 3 246.326 0.698 20 0 BCADHN CCC/C=C/C(=O)N[C@H](CO)CN(C)C ZINC000854466610 588788686 /nfs/dbraw/zinc/78/86/86/588788686.db2.gz GZLGPBPAKRASOU-FGEFZZPRSA-N 0 3 214.309 0.381 20 0 BCADHN CCCC[C@](C)(F)C(=O)N[C@H](CO)CN(C)C ZINC000854467649 588788966 /nfs/dbraw/zinc/78/89/66/588788966.db2.gz WYRYCOLUJVYWKU-JQWIXIFHSA-N 0 3 248.342 0.944 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)/C=C\C1CCCC1 ZINC000854469171 588789136 /nfs/dbraw/zinc/78/91/36/588789136.db2.gz XJGLHUGQGMPRDH-KRZKBDHCSA-N 0 3 240.347 0.772 20 0 BCADHN CCCCN(C)CCNC(=O)c1cnsn1 ZINC000112310235 588790078 /nfs/dbraw/zinc/79/00/78/588790078.db2.gz XQBRVEFKXWDHSU-UHFFFAOYSA-N 0 3 242.348 1.000 20 0 BCADHN CC1=NO[C@H](C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)C1 ZINC000854598842 588796249 /nfs/dbraw/zinc/79/62/49/588796249.db2.gz BCNGADUSPSWDCM-VWYCJHECSA-N 0 3 237.303 0.314 20 0 BCADHN CN(C)CCONC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000854690753 588801683 /nfs/dbraw/zinc/80/16/83/588801683.db2.gz JPWBDERWTARBDV-MYJAWHEDSA-N 0 3 212.293 0.642 20 0 BCADHN CN(C)CCONC(=O)C1CC2(CC2)C1 ZINC000854690365 588801808 /nfs/dbraw/zinc/80/18/08/588801808.db2.gz AAMQRNONFPVWIM-UHFFFAOYSA-N 0 3 212.293 0.786 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H]1CC(C)=NO1 ZINC000854795352 588810003 /nfs/dbraw/zinc/81/00/03/588810003.db2.gz ZEDOMESXPLTHFL-JTQLQIEISA-N 0 3 227.308 0.609 20 0 BCADHN COC1CCC(C(=O)NOCCN(C)C)CC1 ZINC000854945047 588817595 /nfs/dbraw/zinc/81/75/95/588817595.db2.gz HRNONLAYPBJVCW-UHFFFAOYSA-N 0 3 244.335 0.801 20 0 BCADHN CN(C)CCONC(=O)c1cn(C)nc1Cl ZINC000854945034 588817741 /nfs/dbraw/zinc/81/77/41/588817741.db2.gz HEBZMQHXPDRWLY-UHFFFAOYSA-N 0 3 246.698 0.297 20 0 BCADHN CC(C)n1cc(C(=O)NOCCN(C)C)cn1 ZINC000854945743 588817792 /nfs/dbraw/zinc/81/77/92/588817792.db2.gz ZJGVVFSZDLXOLG-UHFFFAOYSA-N 0 3 240.307 0.687 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)CCC(F)F ZINC000854945187 588817827 /nfs/dbraw/zinc/81/78/27/588817827.db2.gz JJCJUDGARSFPSI-UHFFFAOYSA-N 0 3 210.224 0.641 20 0 BCADHN Cc1cc[nH]c1C(=O)NOCCN(C)C ZINC000854945719 588817943 /nfs/dbraw/zinc/81/79/43/588817943.db2.gz ZBGLFUAOTILJMO-UHFFFAOYSA-N 0 3 211.265 0.546 20 0 BCADHN Cc1cc(C(=O)NOCCN(C)C)cnn1 ZINC000854945628 588818060 /nfs/dbraw/zinc/81/80/60/588818060.db2.gz VAYUIEJQSYEKOC-UHFFFAOYSA-N 0 3 224.264 0.008 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)C[C@@H]1CCCOC1 ZINC000854945338 588818152 /nfs/dbraw/zinc/81/81/52/588818152.db2.gz NIVIVXJJYJPMKS-JTQLQIEISA-N 0 3 230.308 0.413 20 0 BCADHN Cc1c[nH]cc1C(=O)NOCCN(C)C ZINC000854947097 588818298 /nfs/dbraw/zinc/81/82/98/588818298.db2.gz FXEMUBSRSMDJLH-UHFFFAOYSA-N 0 3 211.265 0.546 20 0 BCADHN CCc1ncncc1C(=O)NOCCN(C)C ZINC000854947273 588818374 /nfs/dbraw/zinc/81/83/74/588818374.db2.gz NUWKRUZALKDTLI-UHFFFAOYSA-N 0 3 238.291 0.262 20 0 BCADHN C/C(=C\C(=O)NC[C@H](C)N(C)C)c1cnccn1 ZINC000855009025 588820213 /nfs/dbraw/zinc/82/02/13/588820213.db2.gz HJKDOJQNNGDDCQ-HUYFXPKMSA-N 0 3 248.330 0.946 20 0 BCADHN C[C@@H](CNC(=O)/C=C\[C@@H]1CCOC1)N(C)C ZINC000855009458 588820240 /nfs/dbraw/zinc/82/02/40/588820240.db2.gz VCXWIUBWWYYGNK-NRFYAWERSA-N 0 3 226.320 0.645 20 0 BCADHN C[C@@H](CNC(=O)[C@@H](O)c1ccccn1)N(C)C ZINC000855009658 588820271 /nfs/dbraw/zinc/82/02/71/588820271.db2.gz JQVQKLJQZZPKGE-ONGXEEELSA-N 0 3 237.303 0.181 20 0 BCADHN CC[C@H](CO)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000855286569 588827172 /nfs/dbraw/zinc/82/71/72/588827172.db2.gz TWLVGTBHAFOXQN-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN CN1C[C@@H](Nc2ccnc(CO)c2)CCC1=O ZINC000858418108 582460308 /nfs/dbraw/zinc/46/03/08/582460308.db2.gz MSWQBEVSIAMNSV-JTQLQIEISA-N 0 3 235.287 0.607 20 0 BCADHN CCN(C(=O)[C@H](O)C(C)(C)C)[C@H]1CCN(C)C1 ZINC000855361249 588829037 /nfs/dbraw/zinc/82/90/37/588829037.db2.gz UCQKMBRAVPBRQP-QWRGUYRKSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@H](C(=O)NCC[C@@H](O)C1CC1)N(C)C ZINC000890714557 582512370 /nfs/dbraw/zinc/51/23/70/582512370.db2.gz RGHVCMNLFITQTO-WDEREUQCSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)NCC[C@@H](O)C1CC1)N(C)C ZINC000890714548 582512409 /nfs/dbraw/zinc/51/24/09/582512409.db2.gz RGHVCMNLFITQTO-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](CCNC(=O)[C@@H]1CCC(=O)C1)N(C)C ZINC000855417244 588832294 /nfs/dbraw/zinc/83/22/94/588832294.db2.gz FGNLGJTUIWFVDS-NXEZZACHSA-N 0 3 226.320 0.812 20 0 BCADHN Cc1[nH]cnc1CC(=O)NCC[C@@H](O)C1CC1 ZINC000890720873 582515622 /nfs/dbraw/zinc/51/56/22/582515622.db2.gz UJSJUWPJJPQXOA-LLVKDONJSA-N 0 3 237.303 0.538 20 0 BCADHN CC(C(=O)N[C@@H]1C=CCC1)S(C)(=O)=O ZINC000855422773 588832857 /nfs/dbraw/zinc/83/28/57/588832857.db2.gz XRHKZMBEUZGZCJ-HTQZYQBOSA-N 0 3 217.290 0.254 20 0 BCADHN O=C(N[C@@H]1C=CCC1)[C@H]1CN2CCN1CCC2 ZINC000855429656 588834623 /nfs/dbraw/zinc/83/46/23/588834623.db2.gz MUXOAOATBRMKNP-VXGBXAGGSA-N 0 3 235.331 0.211 20 0 BCADHN OCC1(CN2CCC(F)(F)CC2)COC1 ZINC000259600645 582568984 /nfs/dbraw/zinc/56/89/84/582568984.db2.gz VGPLYOSTWDBMIZ-UHFFFAOYSA-N 0 3 221.247 0.726 20 0 BCADHN CN1CCC[C@H](N2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000844456705 582592725 /nfs/dbraw/zinc/59/27/25/582592725.db2.gz GPTBTSOPWSBMCJ-YIZRAAEISA-N 0 3 230.258 0.804 20 0 BCADHN CC[C@H](C(=O)N[C@H]1COC[C@H]1C1CC1)N(C)C ZINC000891035540 582598188 /nfs/dbraw/zinc/59/81/88/582598188.db2.gz VESYYKCXVWMXEJ-SDDRHHMPSA-N 0 3 240.347 0.868 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1COC[C@@H]1C1CC1)N(C)C ZINC000891035543 582598209 /nfs/dbraw/zinc/59/82/09/582598209.db2.gz VESYYKCXVWMXEJ-UTUOFQBUSA-N 0 3 240.347 0.868 20 0 BCADHN CC[C@@H](CO)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000855491784 588838236 /nfs/dbraw/zinc/83/82/36/588838236.db2.gz UFOLPVHKJSYRMB-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC000891065989 582607106 /nfs/dbraw/zinc/60/71/06/582607106.db2.gz VCPKGUCVBFSRKZ-NEPJUHHUSA-N 0 3 240.347 0.869 20 0 BCADHN CCN(CC)CC(=O)N(CCF)CCOC ZINC000855588110 588840538 /nfs/dbraw/zinc/84/05/38/588840538.db2.gz BKDYBYPLMUNGMF-UHFFFAOYSA-N 0 3 234.315 0.773 20 0 BCADHN COCCN(CCF)C(=O)C1(N(C)C)CCC1 ZINC000855593145 588840870 /nfs/dbraw/zinc/84/08/70/588840870.db2.gz JSLGQLCTPJOWTB-UHFFFAOYSA-N 0 3 246.326 0.915 20 0 BCADHN O=C1CCCN1CCCNc1ccncc1CO ZINC000891405880 582679075 /nfs/dbraw/zinc/67/90/75/582679075.db2.gz VJXPTSHSZDIBNA-UHFFFAOYSA-N 0 3 249.314 0.420 20 0 BCADHN COCCNC(=O)NCCN1CCC[C@@H]1C ZINC000891409141 582679613 /nfs/dbraw/zinc/67/96/13/582679613.db2.gz QDOXFAWMMUVIRH-JTQLQIEISA-N 0 3 229.324 0.416 20 0 BCADHN OCc1cnccc1NCCCn1ccnc1 ZINC000891409568 582680050 /nfs/dbraw/zinc/68/00/50/582680050.db2.gz UJJQOKZHDQLWNW-UHFFFAOYSA-N 0 3 232.287 0.695 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)NC(C)(C)CN(C)C)C1 ZINC000891412037 582680532 /nfs/dbraw/zinc/68/05/32/582680532.db2.gz DROGUQNWHDZUBM-VHSXEESVSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H]1CO[C@@H](C(=O)NC(C)(C)CN(C)C)C1 ZINC000891412034 582680702 /nfs/dbraw/zinc/68/07/02/582680702.db2.gz DROGUQNWHDZUBM-NXEZZACHSA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@H](CO)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000779769353 582696364 /nfs/dbraw/zinc/69/63/64/582696364.db2.gz QSPUMIGREBLHRJ-VXGBXAGGSA-N 0 3 240.347 0.605 20 0 BCADHN O[C@H]1CCN([C@@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000891639530 582704690 /nfs/dbraw/zinc/70/46/90/582704690.db2.gz HQTPHXDSVBABRC-GARJFASQSA-N 0 3 245.294 0.687 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H](C)C1CCC1 ZINC000668508849 582706024 /nfs/dbraw/zinc/70/60/24/582706024.db2.gz XBZHTACALAWUIG-INTQDDNPSA-N 0 3 247.360 0.577 20 0 BCADHN OCc1cnccc1NC[C@@H](O)c1ccco1 ZINC000891778894 582719678 /nfs/dbraw/zinc/71/96/78/582719678.db2.gz UNVPSGOGVSMAPR-LLVKDONJSA-N 0 3 234.255 0.734 20 0 BCADHN C[C@@H](Cn1ccnc1)Nc1ccncc1CO ZINC000891783913 582719928 /nfs/dbraw/zinc/71/99/28/582719928.db2.gz PBJHUPWVFKVPKE-JTQLQIEISA-N 0 3 232.287 0.693 20 0 BCADHN Cn1nc2c(c1CN1CCC[C@H]1CO)CCC2 ZINC000891792096 582721685 /nfs/dbraw/zinc/72/16/85/582721685.db2.gz AXZRSCBJXITNNN-JTQLQIEISA-N 0 3 235.331 0.866 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)c1ncccn1 ZINC000891908940 582736607 /nfs/dbraw/zinc/73/66/07/582736607.db2.gz YUOHNJMVRWIESI-JTQLQIEISA-N 0 3 234.303 0.643 20 0 BCADHN CC[C@H](CO)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000779811149 582738850 /nfs/dbraw/zinc/73/88/50/582738850.db2.gz VWCWOIAWWLDGMR-CKYFFXLPSA-N 0 3 240.347 0.604 20 0 BCADHN CN(C)CCNC(=O)C(C)(Cl)Cl ZINC000132510283 582738928 /nfs/dbraw/zinc/73/89/28/582738928.db2.gz SYBJZBSCIDXRTG-UHFFFAOYSA-N 0 3 213.108 0.858 20 0 BCADHN CCNC(=O)N1CCC12CCN(C)CC2 ZINC000891947271 582743128 /nfs/dbraw/zinc/74/31/28/582743128.db2.gz FJTONAVNAKBWPT-UHFFFAOYSA-N 0 3 211.309 0.886 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000892061746 582780153 /nfs/dbraw/zinc/78/01/53/582780153.db2.gz UWIAYVXUMMIOSH-WRWGMCAJSA-N 0 3 237.347 0.988 20 0 BCADHN CC(C)CCCCN1C[C@@H](O)[C@@H](O)C1 ZINC000892065034 582781809 /nfs/dbraw/zinc/78/18/09/582781809.db2.gz HDMGLVFMTWHBED-PHIMTYICSA-N 0 3 201.310 0.850 20 0 BCADHN C[C@@H](Cn1cncn1)Nc1ccncc1CO ZINC000892127750 582796799 /nfs/dbraw/zinc/79/67/99/582796799.db2.gz SFXMSAALUDQKCY-VIFPVBQESA-N 0 3 233.275 0.088 20 0 BCADHN CC(C)(F)CNC(=O)NC[C@@H]1CNCCO1 ZINC000892181491 582806049 /nfs/dbraw/zinc/80/60/49/582806049.db2.gz UDBKSDKDLBUACY-QMMMGPOBSA-N 0 3 233.287 0.022 20 0 BCADHN Nc1cc(N2CCCNC(=O)C2)c(Cl)cn1 ZINC000892277581 582825243 /nfs/dbraw/zinc/82/52/43/582825243.db2.gz VHBOBHRJXPENIP-UHFFFAOYSA-N 0 3 240.694 0.644 20 0 BCADHN CNC(=O)CCN(C)c1ccncc1CO ZINC000892300897 582831934 /nfs/dbraw/zinc/83/19/34/582831934.db2.gz TXUFLXCXDDRQIZ-UHFFFAOYSA-N 0 3 223.276 0.146 20 0 BCADHN CC[C@@H](C(=O)NCCN(C)C(=O)OC)N(C)C ZINC000855941005 588854906 /nfs/dbraw/zinc/85/49/06/588854906.db2.gz QSSFKMLKWFJQHY-VIFPVBQESA-N 0 3 245.323 0.141 20 0 BCADHN COCCON=C(N)N1CCC(C)CC1 ZINC000849214641 582843454 /nfs/dbraw/zinc/84/34/54/582843454.db2.gz ACAWMYFPCTZHMQ-UHFFFAOYSA-N 0 3 215.297 0.821 20 0 BCADHN CN(C)C1(C(=O)N2CC[C@H]2CO)CCC1 ZINC000889142746 582843461 /nfs/dbraw/zinc/84/34/61/582843461.db2.gz QNUIZFIQGAVKQH-VIFPVBQESA-N 0 3 212.293 0.064 20 0 BCADHN OCCCSCCNc1ccncc1CO ZINC000892345365 582863580 /nfs/dbraw/zinc/86/35/80/582863580.db2.gz NILITMLNHNFATM-UHFFFAOYSA-N 0 3 242.344 0.523 20 0 BCADHN Cc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)nc(N)n1 ZINC000135266878 582871543 /nfs/dbraw/zinc/87/15/43/582871543.db2.gz AQDFQBWLBXMOPC-AOOOYVTPSA-N 0 3 235.335 0.896 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CC12CC(O)C2)N(C)C ZINC000888946673 582875205 /nfs/dbraw/zinc/87/52/05/582875205.db2.gz KRIXJTGARXMRBG-QLWZBITOSA-N 0 3 226.320 0.356 20 0 BCADHN CCCN1CC[C@H](NC(=O)CC2OCCO2)C1 ZINC000856072900 588859396 /nfs/dbraw/zinc/85/93/96/588859396.db2.gz FLMXGSKHCPOITC-JTQLQIEISA-N 0 3 242.319 0.350 20 0 BCADHN COCCOC[C@H](C)NCC(=O)NC(C)C ZINC000892408545 582880699 /nfs/dbraw/zinc/88/06/99/582880699.db2.gz IHZBCEMJMANNQS-JTQLQIEISA-N 0 3 232.324 0.152 20 0 BCADHN CNC(=O)[C@H]1CCCN(c2ccncc2CO)C1 ZINC000892457076 582891710 /nfs/dbraw/zinc/89/17/10/582891710.db2.gz FFJHGCSVFUYFLA-JTQLQIEISA-N 0 3 249.314 0.536 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC[C@@H]1CCCO1 ZINC000308859890 582896286 /nfs/dbraw/zinc/89/62/86/582896286.db2.gz RBHGYFGJNZJYJQ-WPRPVWTQSA-N 0 3 212.293 0.422 20 0 BCADHN CN(CCN1CCOC1=O)CC1(CO)CC1 ZINC000782597766 582918741 /nfs/dbraw/zinc/91/87/41/582918741.db2.gz ABWVWYURDYEHSL-UHFFFAOYSA-N 0 3 228.292 0.143 20 0 BCADHN CCN(CCNC(=O)N1CC[C@H]1CO)C1CC1 ZINC000892663059 582944564 /nfs/dbraw/zinc/94/45/64/582944564.db2.gz RJLZWEOBRMROBT-NSHDSACASA-N 0 3 241.335 0.247 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H](C)Cn1cncn1 ZINC000892686242 582955368 /nfs/dbraw/zinc/95/53/68/582955368.db2.gz IXMVUOSYRYPLBU-IUCAKERBSA-N 0 3 226.280 0.208 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H](C)Cn1cncn1 ZINC000892686240 582955428 /nfs/dbraw/zinc/95/54/28/582955428.db2.gz IXMVUOSYRYPLBU-BDAKNGLRSA-N 0 3 226.280 0.208 20 0 BCADHN CCn1cc(CN[C@H](C)Cn2cncn2)c(C)n1 ZINC000892687466 582955854 /nfs/dbraw/zinc/95/58/54/582955854.db2.gz SIIOJCHAECPGRS-SNVBAGLBSA-N 0 3 248.334 0.981 20 0 BCADHN CCN(CC)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851719986 582963923 /nfs/dbraw/zinc/96/39/23/582963923.db2.gz XPSQEUZHMOGCOD-ZDUSSCGKSA-N 0 3 236.315 0.701 20 0 BCADHN C[C@@]1(O)CCN(C[C@@H](O)c2ccccn2)C1 ZINC000851800997 582967616 /nfs/dbraw/zinc/96/76/16/582967616.db2.gz XVQWFAYSPPDRCZ-VXGBXAGGSA-N 0 3 222.288 0.572 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)C[C@H]1COC(C)(C)O1 ZINC000851797512 582967843 /nfs/dbraw/zinc/96/78/43/582967843.db2.gz KNPQKTNQOJYWMS-UWVGGRQHSA-N 0 3 244.335 0.452 20 0 BCADHN C[C@]1(O)CCN(C[C@@H](O)c2ccccn2)C1 ZINC000851800994 582968121 /nfs/dbraw/zinc/96/81/21/582968121.db2.gz XVQWFAYSPPDRCZ-NEPJUHHUSA-N 0 3 222.288 0.572 20 0 BCADHN C[C@@H]1C[C@H](N2CCN3C(=O)OC[C@@H]3C2)CCO1 ZINC000851812376 582968460 /nfs/dbraw/zinc/96/84/60/582968460.db2.gz IWHIBSCKVLITFP-MXWKQRLJSA-N 0 3 240.303 0.690 20 0 BCADHN CN(CC[C@H]1COC(C)(C)O1)[C@H]1CCNC1=O ZINC000851870868 582974144 /nfs/dbraw/zinc/97/41/44/582974144.db2.gz KLXMQNSDROMHRB-UWVGGRQHSA-N 0 3 242.319 0.348 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCC(=O)O2)[C@@H](C)CN1C ZINC000851887427 582976562 /nfs/dbraw/zinc/97/65/62/582976562.db2.gz OTFGATADJNWADV-OUAUKWLOSA-N 0 3 226.320 0.716 20 0 BCADHN CCc1nc([C@@H](C)N[C@@H](CO)C2CC2)n[nH]1 ZINC000851933652 582980280 /nfs/dbraw/zinc/98/02/80/582980280.db2.gz STYSKQSYCVZKFL-APPZFPTMSA-N 0 3 224.308 0.789 20 0 BCADHN Cc1cc(N)nc(N[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC000892799441 582985367 /nfs/dbraw/zinc/98/53/67/582985367.db2.gz DBQKPAOQIKDISA-QMMMGPOBSA-N 0 3 247.302 0.542 20 0 BCADHN COCCCN(CCO)C[C@H]1COC(C)(C)O1 ZINC000851967923 582986562 /nfs/dbraw/zinc/98/65/62/582986562.db2.gz HOBOTUNUQNEGNN-NSHDSACASA-N 0 3 247.335 0.469 20 0 BCADHN C[C@@H]1C[C@H](O)CN(C[C@@H](O)c2ccccn2)C1 ZINC000852149339 583007640 /nfs/dbraw/zinc/00/76/40/583007640.db2.gz GWSIKLQGHSJVFN-NTZNESFSSA-N 0 3 236.315 0.818 20 0 BCADHN CCC(=O)N1CC[C@@H](Nc2ccncc2CO)C1 ZINC000892928552 583011277 /nfs/dbraw/zinc/01/12/77/583011277.db2.gz IMEBYXNDUCOHAS-LLVKDONJSA-N 0 3 249.314 0.419 20 0 BCADHN CC[C@@H](O)CCNc1nc(C)cc(N)n1 ZINC000892937791 583012619 /nfs/dbraw/zinc/01/26/19/583012619.db2.gz WQBYEJWVEBOARJ-MRVPVSSYSA-N 0 3 210.281 0.940 20 0 BCADHN NC(=O)[N-]C(=O)OCCC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000852636649 583015449 /nfs/dbraw/zinc/01/54/49/583015449.db2.gz ZALBOHKADLVGOK-RKDXNWHRSA-N 0 3 241.291 0.523 20 0 BCADHN NC(=O)[N-]C(=O)OCCC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000852636649 583015450 /nfs/dbraw/zinc/01/54/50/583015450.db2.gz ZALBOHKADLVGOK-RKDXNWHRSA-N 0 3 241.291 0.523 20 0 BCADHN CC[S@@](=O)CCN[C@H](C)COC(C)=O ZINC000892951629 583017535 /nfs/dbraw/zinc/01/75/35/583017535.db2.gz PPNJEEPCFMRYGP-XLKFXECMSA-N 0 3 221.322 0.296 20 0 BCADHN CCc1cc(NC(=O)[C@@H](CC)NC)nn1C ZINC000852894832 583022377 /nfs/dbraw/zinc/02/23/77/583022377.db2.gz YOUBZYHMAILVOB-SECBINFHSA-N 0 3 224.308 0.919 20 0 BCADHN CCO[C@@H]1C[C@@H](NCCC[S@](C)=O)[C@H]1OC ZINC000893004858 583027717 /nfs/dbraw/zinc/02/77/17/583027717.db2.gz NFLVDEXVBFVEQI-IIHVQRNFSA-N 0 3 249.376 0.537 20 0 BCADHN CC(=O)OC[C@H](C)NCCC[S@@](C)=O ZINC000893005209 583029293 /nfs/dbraw/zinc/02/92/93/583029293.db2.gz QPWOITDEAHVVKD-RMLUDKJBSA-N 0 3 221.322 0.296 20 0 BCADHN CC(=O)OC[C@@H](C)N[C@@H]1CCC(=O)N(C)C1 ZINC000893009154 583029674 /nfs/dbraw/zinc/02/96/74/583029674.db2.gz QKGNJFBBLNAIJK-PSASIEDQSA-N 0 3 228.292 0.148 20 0 BCADHN Cn1cc(CN[C@H]2CCN(C)C2)c(Cl)n1 ZINC000856768917 588876844 /nfs/dbraw/zinc/87/68/44/588876844.db2.gz CXAFZVJKFQBVRO-VIFPVBQESA-N 0 3 228.727 0.867 20 0 BCADHN Cc1cc(N)nc(NCc2ccn(C)n2)n1 ZINC000893050335 583037069 /nfs/dbraw/zinc/03/70/69/583037069.db2.gz JGLGCYKQWVWJCL-UHFFFAOYSA-N 0 3 218.264 0.713 20 0 BCADHN CC[C@H](CO)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000856490031 588873754 /nfs/dbraw/zinc/87/37/54/588873754.db2.gz UFPOKIZCANQCTC-MNOVXSKESA-N 0 3 228.336 0.461 20 0 BCADHN CC(C)Cc1ccc(CNC(CO)CO)cn1 ZINC000893076241 583042592 /nfs/dbraw/zinc/04/25/92/583042592.db2.gz ADDRFPNDUQATRG-UHFFFAOYSA-N 0 3 238.331 0.723 20 0 BCADHN CC(C)[C@H]1CN(C(=O)CC2OCCO2)CCN1 ZINC000856489557 588873802 /nfs/dbraw/zinc/87/38/02/588873802.db2.gz OSPZNYMFNAELDW-SNVBAGLBSA-N 0 3 242.319 0.206 20 0 BCADHN CCO/C=C/C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000856489135 588873943 /nfs/dbraw/zinc/87/39/43/588873943.db2.gz KDYMGLWOUVIABR-AYLMVEPYSA-N 0 3 226.320 0.993 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2ccnnc2)CCN1 ZINC000856489782 588874020 /nfs/dbraw/zinc/87/40/20/588874020.db2.gz QZIWADXTPHLQDB-NSHDSACASA-N 0 3 234.303 0.547 20 0 BCADHN CCC(=O)N1CC[C@@H](N[C@H](C)COC(C)=O)C1 ZINC000893112201 583051237 /nfs/dbraw/zinc/05/12/37/583051237.db2.gz MBVLKOUHVUOJFV-MWLCHTKSSA-N 0 3 242.319 0.539 20 0 BCADHN COC[C@@H](CNc1nc(C)cc(N)n1)OC ZINC000893115988 583051550 /nfs/dbraw/zinc/05/15/50/583051550.db2.gz AOHUTFBISCOSGZ-MRVPVSSYSA-N 0 3 226.280 0.441 20 0 BCADHN CCn1cc(CN[C@H]2CC[C@H](CO)CC2)nn1 ZINC000893126753 583053289 /nfs/dbraw/zinc/05/32/89/583053289.db2.gz QYVQEENWVIFLFF-XYPYZODXSA-N 0 3 238.335 0.939 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H](C)CC(N)=O)[C@H]1OC ZINC000893133078 583055211 /nfs/dbraw/zinc/05/52/11/583055211.db2.gz ZSSYUXCTFKJIAW-YSSBGUOXSA-N 0 3 230.308 0.032 20 0 BCADHN Cc1cc(CN[C@@H](C)CC(N)=O)cnc1F ZINC000893133039 583055307 /nfs/dbraw/zinc/05/53/07/583055307.db2.gz YPGHYYJIRDCIJX-QMMMGPOBSA-N 0 3 225.267 0.883 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@H]2CCOC2)[C@H]1OC ZINC000893182620 583065982 /nfs/dbraw/zinc/06/59/82/583065982.db2.gz SEGWLZXFKLRCLB-LNFKQOIKSA-N 0 3 215.293 0.557 20 0 BCADHN CO[C@@]1(CNc2ccncc2CO)CCOC1 ZINC000893192036 583068488 /nfs/dbraw/zinc/06/84/88/583068488.db2.gz QCAYYUOHHXFFPG-GFCCVEGCSA-N 0 3 238.287 0.213 20 0 BCADHN CCOc1ccc(CNC[C@]2(O)CCOC2)o1 ZINC000893216387 583072824 /nfs/dbraw/zinc/07/28/24/583072824.db2.gz SKZSMCOVFCXRBN-GFCCVEGCSA-N 0 3 241.287 0.919 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]2CO)CCN1C ZINC000893222836 583074034 /nfs/dbraw/zinc/07/40/34/583074034.db2.gz VYPQAJVPCOWDCR-VWYCJHECSA-N 0 3 241.335 0.245 20 0 BCADHN CC(=O)OC[C@H](C)NCCc1cnccn1 ZINC000893283881 583085215 /nfs/dbraw/zinc/08/52/15/583085215.db2.gz AOVATOGWTNJKSG-VIFPVBQESA-N 0 3 223.276 0.560 20 0 BCADHN OCC[C@@H]1CCC[C@H]1Nc1ccncc1CO ZINC000893283859 583085220 /nfs/dbraw/zinc/08/52/20/583085220.db2.gz ZYHRNPXNXKGUAR-CMPLNLGQSA-N 0 3 236.315 0.959 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)C[C@@H]1CCNC1=O ZINC000893291736 583089181 /nfs/dbraw/zinc/08/91/81/583089181.db2.gz PIJSLICRKRKMJC-UWVGGRQHSA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)COC(C)=O ZINC000893335288 583108231 /nfs/dbraw/zinc/10/82/31/583108231.db2.gz QPTLTKJVTJTPMY-IVZWLZJFSA-N 0 3 244.335 0.831 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)COC(C)=O ZINC000893335289 583108334 /nfs/dbraw/zinc/10/83/34/583108334.db2.gz QPTLTKJVTJTPMY-LPEHRKFASA-N 0 3 244.335 0.831 20 0 BCADHN COCCOC[C@H](C)N[C@H](C)C(=O)N(C)C ZINC000893362810 583125629 /nfs/dbraw/zinc/12/56/29/583125629.db2.gz ZUORRYRBKNQHAM-VHSXEESVSA-N 0 3 232.324 0.104 20 0 BCADHN CCCN1C[C@H](CNCc2cnccn2)CC1=O ZINC000856791082 588878071 /nfs/dbraw/zinc/87/80/71/588878071.db2.gz PNOKPDZJQWTRBD-NSHDSACASA-N 0 3 248.330 0.825 20 0 BCADHN C[C@@H]1CCN(C[C@@H]2CCC(=O)O2)C[C@@H]1CO ZINC000856797323 588878408 /nfs/dbraw/zinc/87/84/08/588878408.db2.gz FTODVWBBVHNPAW-MXWKQRLJSA-N 0 3 227.304 0.642 20 0 BCADHN C[C@@H](CNc1ccncc1CO)c1nncn1C ZINC000893402909 583137641 /nfs/dbraw/zinc/13/76/41/583137641.db2.gz UXDUCTQDGHBMIE-VIFPVBQESA-N 0 3 247.302 0.340 20 0 BCADHN CCn1cc(CNC[C@H](COC)OC)c(C)n1 ZINC000893483353 583151939 /nfs/dbraw/zinc/15/19/39/583151939.db2.gz FIPYHKNQWLIGGZ-GFCCVEGCSA-N 0 3 241.335 0.962 20 0 BCADHN COC[C@@H](CN[C@@H](C)COC(C)=O)OC ZINC000893484865 583152641 /nfs/dbraw/zinc/15/26/41/583152641.db2.gz PMEOJJSVAUPBLU-WCBMZHEXSA-N 0 3 219.281 0.189 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)Cc1cc[nH]c(=O)c1 ZINC000893556254 583163747 /nfs/dbraw/zinc/16/37/47/583163747.db2.gz PKNGDNZANZOMIO-JDNHERCYSA-N 0 3 242.344 0.986 20 0 BCADHN Cc1cc(N)nc(NCCC[C@@H](C)O)n1 ZINC000893561937 583164521 /nfs/dbraw/zinc/16/45/21/583164521.db2.gz OORHURYHSJJHIX-MRVPVSSYSA-N 0 3 210.281 0.940 20 0 BCADHN COC[C@@H](O)CN1CCCOC[C@@H]1C ZINC000399267498 583172440 /nfs/dbraw/zinc/17/24/40/583172440.db2.gz BLEQXKSYJFMJAF-UWVGGRQHSA-N 0 3 203.282 0.105 20 0 BCADHN CCN(CCNCCS(=O)(=O)CC)C1CC1 ZINC000218477595 583173859 /nfs/dbraw/zinc/17/38/59/583173859.db2.gz OXXCTXQSXOXAJK-UHFFFAOYSA-N 0 3 248.392 0.495 20 0 BCADHN CCNC(=S)NC[C@@H]1CCCN1C ZINC000221252786 583177271 /nfs/dbraw/zinc/17/72/71/583177271.db2.gz HWTVVZLUMABXAD-QMMMGPOBSA-N 0 3 201.339 0.565 20 0 BCADHN CNC(=O)[C@]1(C)CCN(c2ccncc2CO)C1 ZINC000893652426 583187363 /nfs/dbraw/zinc/18/73/63/583187363.db2.gz TVTMLOXSRMEBIH-CYBMUJFWSA-N 0 3 249.314 0.536 20 0 BCADHN OCc1cnccc1N1CC[C@@](F)(CO)C1 ZINC000893726400 583216596 /nfs/dbraw/zinc/21/65/96/583216596.db2.gz HLFMKCXZWXKCFK-NSHDSACASA-N 0 3 226.251 0.485 20 0 BCADHN Cc1n[nH]c(CN2CC[C@@H](C(N)=O)C2)c1C ZINC000893871804 583237977 /nfs/dbraw/zinc/23/79/77/583237977.db2.gz QSINMSSPKZSIAZ-SECBINFHSA-N 0 3 222.292 0.334 20 0 BCADHN Cc1[nH]nc(CN2CC[C@@H](C(N)=O)C2)c1C ZINC000893871804 583237978 /nfs/dbraw/zinc/23/79/78/583237978.db2.gz QSINMSSPKZSIAZ-SECBINFHSA-N 0 3 222.292 0.334 20 0 BCADHN Cc1cc(N)nc(NCC(C)(C)OCCO)n1 ZINC000893883291 583240533 /nfs/dbraw/zinc/24/05/33/583240533.db2.gz LKQRGJBMMZMCMB-UHFFFAOYSA-N 0 3 240.307 0.567 20 0 BCADHN CN1C[C@@H]2CCN(c3cnc(F)cn3)[C@@H]2C1 ZINC000893936960 583253803 /nfs/dbraw/zinc/25/38/03/583253803.db2.gz XSTJFXWWCASVNU-DTWKUNHWSA-N 0 3 222.267 0.756 20 0 BCADHN CN1C[C@H]2CCN(c3nccn4cnnc34)[C@@H]2C1 ZINC000893940756 583254549 /nfs/dbraw/zinc/25/45/49/583254549.db2.gz PSYZAOPVRARKPE-NXEZZACHSA-N 0 3 244.302 0.265 20 0 BCADHN Cc1nnc(N2CC[C@@H]3CN(C)C[C@H]32)nc1C ZINC000893941217 583255171 /nfs/dbraw/zinc/25/51/71/583255171.db2.gz SCYCJOPYFBDBHW-GHMZBOCLSA-N 0 3 233.319 0.629 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@H](C)COCCOC ZINC000893964598 583257635 /nfs/dbraw/zinc/25/76/35/583257635.db2.gz YDOKGCBFAIWYDZ-GHMZBOCLSA-N 0 3 246.351 0.494 20 0 BCADHN Cc1cc(N)nc(N2C[C@@H](C)N(C)[C@@H](C)C2)n1 ZINC000893990773 583265957 /nfs/dbraw/zinc/26/59/57/583265957.db2.gz PAVMHHVRCXTGAK-AOOOYVTPSA-N 0 3 235.335 0.896 20 0 BCADHN C[C@H](CCO)CCNc1ccncc1CO ZINC000894015839 583275823 /nfs/dbraw/zinc/27/58/23/583275823.db2.gz XLBNXTZRQMTHAW-JTQLQIEISA-N 0 3 224.304 0.816 20 0 BCADHN C[C@H](O)CCN[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894030731 583276794 /nfs/dbraw/zinc/27/67/94/583276794.db2.gz ZAVUIWZUSPRLSN-AXFHLTTASA-N 0 3 247.310 0.981 20 0 BCADHN C[C@H](O)CCN[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894030733 583276801 /nfs/dbraw/zinc/27/68/01/583276801.db2.gz ZAVUIWZUSPRLSN-GARJFASQSA-N 0 3 247.310 0.981 20 0 BCADHN COCCOC[C@@H](C)N[C@H](CO)CC(F)F ZINC000894037313 583289044 /nfs/dbraw/zinc/28/90/44/583289044.db2.gz ZSNRWHHNBMYUHQ-BDAKNGLRSA-N 0 3 241.278 0.644 20 0 BCADHN CCN1C[C@H](Nc2ccncc2CO)CC1=O ZINC000894069782 583295106 /nfs/dbraw/zinc/29/51/06/583295106.db2.gz FVPMRIBYIZUNEU-SNVBAGLBSA-N 0 3 235.287 0.029 20 0 BCADHN CC[C@H](Nc1nc(C)cc(N)n1)[C@H](C)O ZINC000894078429 583297744 /nfs/dbraw/zinc/29/77/44/583297744.db2.gz ZRQSWAQIGBEYFW-YUMQZZPRSA-N 0 3 210.281 0.939 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1ncc[nH]1 ZINC000857181096 588891757 /nfs/dbraw/zinc/89/17/57/588891757.db2.gz HWEODIMVRPIBDJ-VIFPVBQESA-N 0 3 222.292 0.624 20 0 BCADHN CC(=O)C1CCN(C(=O)[C@@H]2NCC2(C)C)CC1 ZINC000877300244 583308504 /nfs/dbraw/zinc/30/85/04/583308504.db2.gz ATHGCPKQQDCFPP-NSHDSACASA-N 0 3 238.331 0.812 20 0 BCADHN CC(=O)C1CCN(C(=O)CNCC2CC2)CC1 ZINC000877300245 583309099 /nfs/dbraw/zinc/30/90/99/583309099.db2.gz AWHMWHJGYWYFAW-UHFFFAOYSA-N 0 3 238.331 0.814 20 0 BCADHN C[C@]1(CNc2ccncc2CO)CCC(=O)N1 ZINC000894140522 583315860 /nfs/dbraw/zinc/31/58/60/583315860.db2.gz RPYIZUMFOBMHDH-GFCCVEGCSA-N 0 3 235.287 0.076 20 0 BCADHN C[C@@]1(CNc2ccncc2CO)CCC(=O)N1 ZINC000894140523 583316126 /nfs/dbraw/zinc/31/61/26/583316126.db2.gz RPYIZUMFOBMHDH-LBPRGKRZSA-N 0 3 235.287 0.076 20 0 BCADHN Cn1cnc(CCNc2ccncc2CO)c1 ZINC000894150441 583319546 /nfs/dbraw/zinc/31/95/46/583319546.db2.gz ANJQWCAEAHHVEJ-UHFFFAOYSA-N 0 3 232.287 0.384 20 0 BCADHN O[C@@H](CNCc1c[nH]cn1)COc1ccccc1 ZINC000894167462 583324246 /nfs/dbraw/zinc/32/42/46/583324246.db2.gz ZVJMFRRCLBRQEH-LBPRGKRZSA-N 0 3 247.298 0.939 20 0 BCADHN O[C@@H](CNCc1cnc[nH]1)COc1ccccc1 ZINC000894167462 583324248 /nfs/dbraw/zinc/32/42/48/583324248.db2.gz ZVJMFRRCLBRQEH-LBPRGKRZSA-N 0 3 247.298 0.939 20 0 BCADHN C[C@@H]1[C@@H](C)N(C[C@@H](O)CC(C)(C)O)CCN1C ZINC000878338628 583370471 /nfs/dbraw/zinc/37/04/71/583370471.db2.gz AEABSTOZXPDEHI-UTUOFQBUSA-N 0 3 244.379 0.533 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@H]2C[C@@]2(CO)C1 ZINC000878481938 583376278 /nfs/dbraw/zinc/37/62/78/583376278.db2.gz IHWJOEWEZQVSKJ-WOPDTQHZSA-N 0 3 229.320 0.087 20 0 BCADHN OC[C@]12C[C@H]1CN(CCc1cnccn1)C2 ZINC000878482824 583376662 /nfs/dbraw/zinc/37/66/62/583376662.db2.gz ZIAUNFKFVDMLRB-CMPLNLGQSA-N 0 3 219.288 0.333 20 0 BCADHN CN(CCC(N)=O)C[C@H]1CC2(CCC2)CO1 ZINC000878611644 583386768 /nfs/dbraw/zinc/38/67/68/583386768.db2.gz ASMJKAGNXWHREZ-SNVBAGLBSA-N 0 3 226.320 0.753 20 0 BCADHN C[C@@H](NCc1c[nH]cn1)[C@@H](C)N1CCOCC1 ZINC000894245816 583389579 /nfs/dbraw/zinc/38/95/79/583389579.db2.gz DZGBAWWWVLDJPI-GHMZBOCLSA-N 0 3 238.335 0.609 20 0 BCADHN C[C@@H](NCc1cnc[nH]1)[C@@H](C)N1CCOCC1 ZINC000894245816 583389581 /nfs/dbraw/zinc/38/95/81/583389581.db2.gz DZGBAWWWVLDJPI-GHMZBOCLSA-N 0 3 238.335 0.609 20 0 BCADHN COCC[C@H](CO)NCc1ccc(OC)cn1 ZINC000894248411 583390235 /nfs/dbraw/zinc/39/02/35/583390235.db2.gz KEMKZBSINCNYAV-LLVKDONJSA-N 0 3 240.303 0.577 20 0 BCADHN CON1CCC(Nc2ccncc2CO)CC1 ZINC000894251181 583392095 /nfs/dbraw/zinc/39/20/95/583392095.db2.gz IEKIQWWKSAQWIP-UHFFFAOYSA-N 0 3 237.303 0.434 20 0 BCADHN COC[C@](C)(O)CNCc1c(C)ccnc1N ZINC000894252109 583392856 /nfs/dbraw/zinc/39/28/56/583392856.db2.gz UQYGZXBHXZNBMR-GFCCVEGCSA-N 0 3 239.319 0.459 20 0 BCADHN C[C@H](NC[C@H]1COC(C)(C)O1)C(=O)NCCF ZINC000894257200 583395115 /nfs/dbraw/zinc/39/51/15/583395115.db2.gz OQYRXKLLRYVTDT-IUCAKERBSA-N 0 3 248.298 0.202 20 0 BCADHN CC(C)N(Cc1cnc[nH]1)C[C@H]1CCC(=O)N1 ZINC000878713814 583398602 /nfs/dbraw/zinc/39/86/02/583398602.db2.gz CACCHYIEJHMJIH-SNVBAGLBSA-N 0 3 236.319 0.899 20 0 BCADHN COC[C@@H](O)CNCc1cnn(C)c1C1CC1 ZINC000894278360 583407088 /nfs/dbraw/zinc/40/70/88/583407088.db2.gz TXOMWUOTHREKMF-NSHDSACASA-N 0 3 239.319 0.394 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)C(N)C(F)(F)F ZINC000336732822 583410669 /nfs/dbraw/zinc/41/06/69/583410669.db2.gz GEPPWXPRMQHPPL-PHDIDXHHSA-N 0 3 228.214 0.105 20 0 BCADHN O=C1CCN1CN1CCN(c2ccncc2)CC1 ZINC000857229327 588896668 /nfs/dbraw/zinc/89/66/68/588896668.db2.gz PAWJRRYTLPJAEO-UHFFFAOYSA-N 0 3 246.314 0.393 20 0 BCADHN CN(C)C1CC(NC(=O)[C@@H]2CCC(=O)C2)C1 ZINC000857229467 588897125 /nfs/dbraw/zinc/89/71/25/588897125.db2.gz BAUBMKPXEOULRM-XNWIYYODSA-N 0 3 224.304 0.564 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C)CCN1C ZINC000747985497 583416922 /nfs/dbraw/zinc/41/69/22/583416922.db2.gz JQNYWXMTZJTHGT-NEPJUHHUSA-N 0 3 239.363 0.633 20 0 BCADHN CC(C)CN1CCN(CN2CCC2=O)CC1 ZINC000857229665 588897255 /nfs/dbraw/zinc/89/72/55/588897255.db2.gz ZSKYULKYPBJDNJ-UHFFFAOYSA-N 0 3 225.336 0.450 20 0 BCADHN Cn1cc([C@H](O)CN[C@H]2COCC2(C)C)cn1 ZINC000894317773 583421184 /nfs/dbraw/zinc/42/11/84/583421184.db2.gz ZKOUEJQHQIUTMR-MNOVXSKESA-N 0 3 239.319 0.468 20 0 BCADHN O=C1CCN1CN1CC[C@@H](N2CC=CC2)C1 ZINC000857232738 588897652 /nfs/dbraw/zinc/89/76/52/588897652.db2.gz LBLSCUIFLPPNKX-LLVKDONJSA-N 0 3 221.304 0.122 20 0 BCADHN CCNC(=O)N1CC[C@H](NCc2c[nH]cn2)C1 ZINC000894327521 583423477 /nfs/dbraw/zinc/42/34/77/583423477.db2.gz VHQXKACLESVOIY-VIFPVBQESA-N 0 3 237.307 0.303 20 0 BCADHN CCNC(=O)N1CC[C@H](NCc2cnc[nH]2)C1 ZINC000894327521 583423480 /nfs/dbraw/zinc/42/34/80/583423480.db2.gz VHQXKACLESVOIY-VIFPVBQESA-N 0 3 237.307 0.303 20 0 BCADHN C[C@H](CCS(C)(=O)=O)N[C@H]1COCC1(C)C ZINC000894332395 583426192 /nfs/dbraw/zinc/42/61/92/583426192.db2.gz PKLCIDLZZNKCGX-ZJUUUORDSA-N 0 3 249.376 0.824 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN[C@@H]2CCOC2)C1(F)F ZINC000894355292 583435043 /nfs/dbraw/zinc/43/50/43/583435043.db2.gz WIKFMKSIYOQFIN-CSMHCCOUSA-N 0 3 235.230 0.419 20 0 BCADHN CCc1[nH]c(CNC[C@@H](C)O)cc1C(=O)OC ZINC000894358928 583436358 /nfs/dbraw/zinc/43/63/58/583436358.db2.gz KSGJXAGPCGGGGK-MRVPVSSYSA-N 0 3 240.303 0.834 20 0 BCADHN CNC(=O)[C@@H](N[C@H]1COCC1(C)C)C(C)C ZINC000894360415 583437307 /nfs/dbraw/zinc/43/73/07/583437307.db2.gz YVRQKDVLADJLPJ-UWVGGRQHSA-N 0 3 228.336 0.772 20 0 BCADHN O=C1CCN1CN1CCC[C@@H]2COCC[C@@H]21 ZINC000857234643 588898933 /nfs/dbraw/zinc/89/89/33/588898933.db2.gz KURRJBKENRXCMI-MNOVXSKESA-N 0 3 224.304 0.677 20 0 BCADHN CCOCCNC[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894384591 583442817 /nfs/dbraw/zinc/44/28/17/583442817.db2.gz IBLIPOKZEOURPU-HTQZYQBOSA-N 0 3 237.246 0.667 20 0 BCADHN Cc1cc(N)nc(NCC[C@]2(O)CCOC2)n1 ZINC000894388267 583445550 /nfs/dbraw/zinc/44/55/50/583445550.db2.gz ARWZIPCTSADWQZ-NSHDSACASA-N 0 3 238.291 0.321 20 0 BCADHN Cc1cc(N)nc(NCCN2CCCC2=O)n1 ZINC000894390810 583446154 /nfs/dbraw/zinc/44/61/54/583446154.db2.gz KCIOGZIBEUJXSF-UHFFFAOYSA-N 0 3 235.291 0.402 20 0 BCADHN CCN1C[C@H](CNc2ccncc2CO)CC1=O ZINC000894392539 583446485 /nfs/dbraw/zinc/44/64/85/583446485.db2.gz ZKZZGRNFAKQUCC-JTQLQIEISA-N 0 3 249.314 0.276 20 0 BCADHN Cc1ccnc(N)c1CNCCCOCCO ZINC000894433436 583458699 /nfs/dbraw/zinc/45/86/99/583458699.db2.gz NDTAKNFUUNLJAG-UHFFFAOYSA-N 0 3 239.319 0.461 20 0 BCADHN Cc1ccnc(N)c1CN[C@H](C)C[S@](C)=O ZINC000894445782 583461290 /nfs/dbraw/zinc/46/12/90/583461290.db2.gz RSZJCFJBZJISBF-ABKXIKBNSA-N 0 3 241.360 0.829 20 0 BCADHN CCn1cc(CN(C)CCN(C)C)nn1 ZINC000894449155 583461689 /nfs/dbraw/zinc/46/16/89/583461689.db2.gz KSBAZLFHYBVTKK-UHFFFAOYSA-N 0 3 211.313 0.291 20 0 BCADHN C[C@@H](CO)N(C)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894464238 583466498 /nfs/dbraw/zinc/46/64/98/583466498.db2.gz MOWBZTTVINAAGU-HBNTYKKESA-N 0 3 247.310 0.933 20 0 BCADHN C[C@H](CO)N(C)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894464236 583466646 /nfs/dbraw/zinc/46/66/46/583466646.db2.gz MOWBZTTVINAAGU-GMTAPVOTSA-N 0 3 247.310 0.933 20 0 BCADHN COCCONC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000894509018 583474400 /nfs/dbraw/zinc/47/44/00/583474400.db2.gz QSRAXNVDSDXEIS-SNVBAGLBSA-N 0 3 245.323 0.300 20 0 BCADHN CC(=O)OC[C@@H](C)NCC1=CCCOC1 ZINC000894514168 583476003 /nfs/dbraw/zinc/47/60/03/583476003.db2.gz WIXQXEXAXSXGIV-SECBINFHSA-N 0 3 213.277 0.874 20 0 BCADHN OCc1cnccc1N1CC[C@@H](O)C(F)(F)C1 ZINC000894523255 583477246 /nfs/dbraw/zinc/47/72/46/583477246.db2.gz DADFAFOIGXJGPS-SNVBAGLBSA-N 0 3 244.241 0.780 20 0 BCADHN Cc1[nH]nc(CN2C[C@H]3C[C@@]3(CO)C2)c1C ZINC000894535432 583479553 /nfs/dbraw/zinc/47/95/53/583479553.db2.gz SSRWTZFYROYAFZ-PWSUYJOCSA-N 0 3 221.304 0.841 20 0 BCADHN Cc1cc(N)nc(N(C)CC2CN(C)C2)n1 ZINC000894541913 583481250 /nfs/dbraw/zinc/48/12/50/583481250.db2.gz ZSEDDAZZWFLBQC-UHFFFAOYSA-N 0 3 221.308 0.365 20 0 BCADHN Cc1[nH]nc(CN2C[C@@H](O)C[C@@H]2C)c1C ZINC000894539812 583481301 /nfs/dbraw/zinc/48/13/01/583481301.db2.gz WSDQIDYYRGEODC-XVKPBYJWSA-N 0 3 209.293 0.982 20 0 BCADHN Cc1ncnc(N(C)CCN(C)CCO)c1C ZINC000894592749 583492103 /nfs/dbraw/zinc/49/21/03/583492103.db2.gz VZMBBIWUXNWIFC-UHFFFAOYSA-N 0 3 238.335 0.454 20 0 BCADHN CO[C@@H](CN[C@@H](C)COC(C)=O)C1CC1 ZINC000894631138 583498390 /nfs/dbraw/zinc/49/83/90/583498390.db2.gz CFHGUXDWOHZPDS-KWQFWETISA-N 0 3 215.293 0.953 20 0 BCADHN Cc1n[nH]c(CN2CC[C@](C)(C(N)=O)C2)c1C ZINC000894638696 583498395 /nfs/dbraw/zinc/49/83/95/583498395.db2.gz SSEKZHLPLOVUOB-LBPRGKRZSA-N 0 3 236.319 0.724 20 0 BCADHN Cc1[nH]nc(CN2CC[C@](C)(C(N)=O)C2)c1C ZINC000894638696 583498396 /nfs/dbraw/zinc/49/83/96/583498396.db2.gz SSEKZHLPLOVUOB-LBPRGKRZSA-N 0 3 236.319 0.724 20 0 BCADHN CC[C@H](N[C@H](C)COC(C)=O)[C@@H](O)C(F)F ZINC000894687087 583506814 /nfs/dbraw/zinc/50/68/14/583506814.db2.gz DGUZOWUIIPJULU-BWVDBABLSA-N 0 3 239.262 0.932 20 0 BCADHN Cc1ccnc(N)c1CNC[C@@H](O)C1CC1 ZINC000894765420 583518079 /nfs/dbraw/zinc/51/80/79/583518079.db2.gz HTGFPLQHZMHEKV-LLVKDONJSA-N 0 3 221.304 0.833 20 0 BCADHN Cc1cc(N)nc(NC[C@H]2C[C@@H](O)C2)n1 ZINC000894776105 583518426 /nfs/dbraw/zinc/51/84/26/583518426.db2.gz VCOKADSNHAOGQC-OCAPTIKFSA-N 0 3 208.265 0.550 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CNC[C@H](O)C2CC2)C1(F)F ZINC000894766299 583518809 /nfs/dbraw/zinc/51/88/09/583518809.db2.gz PBLTVNRDPQWABU-VGMNWLOBSA-N 0 3 249.257 0.401 20 0 BCADHN C[C@H]1NC(=O)N(CCN2CC[C@@H](CF)C2)C1=O ZINC000880299954 583526210 /nfs/dbraw/zinc/52/62/10/583526210.db2.gz MYLBQTNUWQQALL-BDAKNGLRSA-N 0 3 243.282 0.218 20 0 BCADHN CC(C)(O)C1CN(C[C@H]2COC(C)(C)O2)C1 ZINC000894830456 583527602 /nfs/dbraw/zinc/52/76/02/583527602.db2.gz OMWHEWLSRJSZOO-JTQLQIEISA-N 0 3 229.320 0.841 20 0 BCADHN C[C@@H]1CC[C@H](CO)N1CCc1cnccn1 ZINC000880434342 583533401 /nfs/dbraw/zinc/53/34/01/583533401.db2.gz AEAFVBVCRFSTEI-ZYHUDNBSSA-N 0 3 221.304 0.864 20 0 BCADHN COc1ccc(CNC[C@@H]2COCO2)cc1O ZINC000894869175 583538815 /nfs/dbraw/zinc/53/88/15/583538815.db2.gz VIVSIBCUNPFUPO-SNVBAGLBSA-N 0 3 239.271 0.863 20 0 BCADHN Cc1ccc(CNC[C@@H]2COCO2)cn1 ZINC000894878329 583542479 /nfs/dbraw/zinc/54/24/79/583542479.db2.gz AWBXAZLSHQHIEC-LLVKDONJSA-N 0 3 208.261 0.853 20 0 BCADHN COC(=O)[C@H]1[C@H](CNC[C@H]2CCCO2)C1(F)F ZINC000894880020 583543893 /nfs/dbraw/zinc/54/38/93/583543893.db2.gz ALBORIWDAVHDIU-HRDYMLBCSA-N 0 3 249.257 0.809 20 0 BCADHN Cn1cc(CNC[C@@H]2COCO2)c(C2CC2)n1 ZINC000894888377 583547498 /nfs/dbraw/zinc/54/74/98/583547498.db2.gz LFBUCNPVRPRWIK-LLVKDONJSA-N 0 3 237.303 0.760 20 0 BCADHN CO[C@@H]1COCC[C@H]1CNCc1c[nH]cn1 ZINC000894889602 583547831 /nfs/dbraw/zinc/54/78/31/583547831.db2.gz VSMSVDJSKBCVAB-GXSJLCMTSA-N 0 3 225.292 0.551 20 0 BCADHN FCCn1cc(CNC[C@@H]2COCO2)cn1 ZINC000894890554 583548097 /nfs/dbraw/zinc/54/80/97/583548097.db2.gz UNKJYYLBPKCNCC-SNVBAGLBSA-N 0 3 229.255 0.315 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@H]1COCC1(C)C ZINC000894932388 583556321 /nfs/dbraw/zinc/55/63/21/583556321.db2.gz GLSPXJQPQYQZHE-MXWKQRLJSA-N 0 3 229.320 0.805 20 0 BCADHN CC(=O)OC[C@@H](C)N[C@@H](C)C(=O)NC(C)C ZINC000894932958 583556711 /nfs/dbraw/zinc/55/67/11/583556711.db2.gz FUMVCJIVSZQZBK-BDAKNGLRSA-N 0 3 230.308 0.441 20 0 BCADHN OCc1cnccc1N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000894922461 583556797 /nfs/dbraw/zinc/55/67/97/583556797.db2.gz QSOHUZXXVKDKLJ-RZFPVDMASA-N 0 3 246.310 0.831 20 0 BCADHN COCCOC[C@@H](C)N[C@@H](C)C(=O)NC(C)C ZINC000894933972 583557937 /nfs/dbraw/zinc/55/79/37/583557937.db2.gz LZSVOCSXNVWXNV-MNOVXSKESA-N 0 3 246.351 0.541 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN[C@@H]2CCC[C@H]2O)C1(F)F ZINC000894969982 583560536 /nfs/dbraw/zinc/56/05/36/583560536.db2.gz OQRRWLJZJLWWLU-BGZDPUMWSA-N 0 3 249.257 0.544 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2ccc(OC)cn2)C1 ZINC000894973691 583561816 /nfs/dbraw/zinc/56/18/16/583561816.db2.gz XNGXOQVOJVTFSX-JTQLQIEISA-N 0 3 249.314 0.658 20 0 BCADHN Cc1ccnc(N)c1CNC[C@@H]1CCCNC1=O ZINC000894983336 583564673 /nfs/dbraw/zinc/56/46/73/583564673.db2.gz BWBFONZPYASTGD-JTQLQIEISA-N 0 3 248.330 0.588 20 0 BCADHN CON(C)C(=O)CN[C@@H]1CC[C@H]1SC ZINC000895045649 583571653 /nfs/dbraw/zinc/57/16/53/583571653.db2.gz QTZJIIWMIAFGNJ-HTQZYQBOSA-N 0 3 218.322 0.490 20 0 BCADHN Cc1cc(N)nc(N[C@H]2CCC[C@@H]2O)n1 ZINC000894988317 583565451 /nfs/dbraw/zinc/56/54/51/583565451.db2.gz ZWLWWCOHYUBHMP-YUMQZZPRSA-N 0 3 208.265 0.693 20 0 BCADHN O[C@@H]1CC[C@H]1N[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895012911 583567793 /nfs/dbraw/zinc/56/77/93/583567793.db2.gz NGQYFSMIWKKHIV-LMLFDSFASA-N 0 3 245.294 0.733 20 0 BCADHN C[N@@H+]1CC[C@@H]2CN(c3cc(=O)[n-]cn3)CC[C@@H]21 ZINC000895023492 583569689 /nfs/dbraw/zinc/56/96/89/583569689.db2.gz WFZRYNXKOOETGB-ZJUUUORDSA-N 0 3 234.303 0.713 20 0 BCADHN C[N@H+]1CC[C@@H]2CN(c3cc(=O)[n-]cn3)CC[C@@H]21 ZINC000895023492 583569690 /nfs/dbraw/zinc/56/96/90/583569690.db2.gz WFZRYNXKOOETGB-ZJUUUORDSA-N 0 3 234.303 0.713 20 0 BCADHN Cc1ncoc1CN[C@@H]1CCc2nnnn2CC1 ZINC000895037833 583570551 /nfs/dbraw/zinc/57/05/51/583570551.db2.gz QTSYNCUZJLBQAM-SECBINFHSA-N 0 3 248.290 0.464 20 0 BCADHN FC(F)CN1CC[C@@H](NCc2c[nH]cn2)C1 ZINC000895024409 583570593 /nfs/dbraw/zinc/57/05/93/583570593.db2.gz ASEIVTLIEZGWDC-MRVPVSSYSA-N 0 3 230.262 0.839 20 0 BCADHN FC(F)CN1CC[C@@H](NCc2cnc[nH]2)C1 ZINC000895024409 583570594 /nfs/dbraw/zinc/57/05/94/583570594.db2.gz ASEIVTLIEZGWDC-MRVPVSSYSA-N 0 3 230.262 0.839 20 0 BCADHN FC(F)CN1CC[C@H](NCc2c[nH]cn2)C1 ZINC000895024410 583570646 /nfs/dbraw/zinc/57/06/46/583570646.db2.gz ASEIVTLIEZGWDC-QMMMGPOBSA-N 0 3 230.262 0.839 20 0 BCADHN FC(F)CN1CC[C@H](NCc2cnc[nH]2)C1 ZINC000895024410 583570647 /nfs/dbraw/zinc/57/06/47/583570647.db2.gz ASEIVTLIEZGWDC-QMMMGPOBSA-N 0 3 230.262 0.839 20 0 BCADHN CON(C)C(=O)CN[C@H]1CC[C@@H]1C1CC1 ZINC000895046385 583571161 /nfs/dbraw/zinc/57/11/61/583571161.db2.gz JAEMMEUQWOVIIX-ZJUUUORDSA-N 0 3 212.293 0.784 20 0 BCADHN CON(C)C(=O)CN[C@H]1CC[C@H]1SC ZINC000895045650 583571718 /nfs/dbraw/zinc/57/17/18/583571718.db2.gz QTZJIIWMIAFGNJ-JGVFFNPUSA-N 0 3 218.322 0.490 20 0 BCADHN CC[C@H](C[C@H](C)O)Nc1ccncc1CO ZINC000895045589 583571914 /nfs/dbraw/zinc/57/19/14/583571914.db2.gz ZDSIEDJHKYDDEW-GXSJLCMTSA-N 0 3 224.304 0.957 20 0 BCADHN CCNC(=S)N[C@H]1CCN(C)[C@H](C)C1 ZINC000126002603 583574791 /nfs/dbraw/zinc/57/47/91/583574791.db2.gz LSPBMHYENGMRKM-BDAKNGLRSA-N 0 3 215.366 0.953 20 0 BCADHN COC(=O)[C@H]1[C@H](CN[C@@H]2CC[C@H]2O)C1(F)F ZINC000895057470 583575146 /nfs/dbraw/zinc/57/51/46/583575146.db2.gz HKXPKSPACXDTEH-LXGUWJNJSA-N 0 3 235.230 0.154 20 0 BCADHN CCC[C@@H]1CN(c2ncnc3n[nH]cc32)CCN1 ZINC000895057154 583575240 /nfs/dbraw/zinc/57/52/40/583575240.db2.gz DTACJXMCKSMGAE-SECBINFHSA-N 0 3 246.318 0.931 20 0 BCADHN CCC[C@@H]1CN(c2nccnc2C(N)=O)CCN1 ZINC000895059003 583575996 /nfs/dbraw/zinc/57/59/96/583575996.db2.gz QFHNYFSPBIASEV-SECBINFHSA-N 0 3 249.318 0.154 20 0 BCADHN CN1C[C@@H](N[C@H]2CCCc3cn[nH]c32)CC1=O ZINC000857852434 588913731 /nfs/dbraw/zinc/91/37/31/588913731.db2.gz QYSYKMHDTSFJDP-UWVGGRQHSA-N 0 3 234.303 0.607 20 0 BCADHN Cc1nonc1CNc1ccncc1CO ZINC000895092663 583587283 /nfs/dbraw/zinc/58/72/83/583587283.db2.gz VTDCIFLVUHBOIE-UHFFFAOYSA-N 0 3 220.232 0.299 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H]1CO[C@H](C)C1 ZINC000895122027 583595833 /nfs/dbraw/zinc/59/58/33/583595833.db2.gz CMTYPOAXUPUMAM-QXFUBDJGSA-N 0 3 201.266 0.705 20 0 BCADHN CC[C@H](CO)NCC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000727059551 583598044 /nfs/dbraw/zinc/59/80/44/583598044.db2.gz KWXLLUWEJPDVPC-SDDRHHMPSA-N 0 3 242.363 0.851 20 0 BCADHN CCON(C)C(=O)CN[C@H]1COCC1(C)C ZINC000895142689 583603750 /nfs/dbraw/zinc/60/37/50/583603750.db2.gz UJHAVIOOFGWUNL-VIFPVBQESA-N 0 3 230.308 0.411 20 0 BCADHN CCN1CC[C@H]1CNc1nc(C)cc(N)n1 ZINC000895160444 583609824 /nfs/dbraw/zinc/60/98/24/583609824.db2.gz MHUYZFLEJKFBIR-VIFPVBQESA-N 0 3 221.308 0.873 20 0 BCADHN COCC(C)(C)CN[C@@H](C)C1N=NC(=O)N1C ZINC000895175960 583615634 /nfs/dbraw/zinc/61/56/34/583615634.db2.gz PSASSELNEHSKGX-QMMMGPOBSA-N 0 3 242.323 0.844 20 0 BCADHN COCC(C)(C)CN[C@@H](C)c1n[nH]c(=O)n1C ZINC000895175960 583615635 /nfs/dbraw/zinc/61/56/35/583615635.db2.gz PSASSELNEHSKGX-QMMMGPOBSA-N 0 3 242.323 0.844 20 0 BCADHN C[C@@H](NC[C@@H]1CCSC1)C1N=NC(=O)N1C ZINC000895175955 583615831 /nfs/dbraw/zinc/61/58/31/583615831.db2.gz PRNSRTBKTJOTRR-SFYZADRCSA-N 0 3 242.348 0.924 20 0 BCADHN C[C@@H](NC[C@H]1CCSC1)C1N=NC(=O)N1C ZINC000895175952 583615878 /nfs/dbraw/zinc/61/58/78/583615878.db2.gz PRNSRTBKTJOTRR-HTQZYQBOSA-N 0 3 242.348 0.924 20 0 BCADHN CCOC1CC(N[C@H](C)c2n[nH]c(=O)n2C)C1 ZINC000895177359 583616390 /nfs/dbraw/zinc/61/63/90/583616390.db2.gz RDJMXPDUJSIPJL-AFPNSQJFSA-N 0 3 240.307 0.739 20 0 BCADHN C[C@@H](NC1CCOCC1)C1N=NC(=O)N1C ZINC000895182525 583617839 /nfs/dbraw/zinc/61/78/39/583617839.db2.gz XTFUNEPMARLEQS-SSDOTTSWSA-N 0 3 226.280 0.350 20 0 BCADHN C[C@@H](NCc1cccn1C)c1n[nH]c(=O)n1C ZINC000895183904 583618591 /nfs/dbraw/zinc/61/85/91/583618591.db2.gz MQWHPKOREKYWAL-MRVPVSSYSA-N 0 3 235.291 0.710 20 0 BCADHN CCn1cc(CNC[C@@](C)(CO)OC)c(C)n1 ZINC000895198744 583623640 /nfs/dbraw/zinc/62/36/40/583623640.db2.gz BMLUNMQMKBQMCI-LBPRGKRZSA-N 0 3 241.335 0.698 20 0 BCADHN CC(C)OC1CN(C(=O)NC[C@H](C)N(C)C)C1 ZINC000895205688 583625498 /nfs/dbraw/zinc/62/54/98/583625498.db2.gz SBTDJDVSDNXYGD-JTQLQIEISA-N 0 3 243.351 0.755 20 0 BCADHN C[C@@H](CNC(=O)NCc1cn(C)cn1)N(C)C ZINC000895207791 583625956 /nfs/dbraw/zinc/62/59/56/583625956.db2.gz HTYMELFIGIDTEB-VIFPVBQESA-N 0 3 239.323 0.169 20 0 BCADHN C[C@@H](CNC(=O)NC/C=C/Cl)N(C)C ZINC000895209704 583626037 /nfs/dbraw/zinc/62/60/37/583626037.db2.gz YTSLVIUKPSKBSY-ZJELKQJVSA-N 0 3 219.716 0.988 20 0 BCADHN O=C1NCC[C@@H]1N[C@H]1CCCc2cn[nH]c21 ZINC000857870480 588917960 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583666023 /nfs/dbraw/zinc/66/60/23/583666023.db2.gz CCJMPSQEPPGJNO-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN Cc1ccnc(N)c1CNC[C@H]1C[C@@H](O)C1 ZINC000895403848 583667533 /nfs/dbraw/zinc/66/75/33/583667533.db2.gz BPIDBXPIKGXHEI-AOOOYVTPSA-N 0 3 221.304 0.833 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N[C@H](C)COC(C)=O)C1 ZINC000895433452 583672052 /nfs/dbraw/zinc/67/20/52/583672052.db2.gz JUSBRHFDYITDKF-QNSHHTMESA-N 0 3 229.276 0.479 20 0 BCADHN C[C@]1(CO)C[C@H](O)CN1Cc1cc[nH]c(=O)c1 ZINC000895433277 583672093 /nfs/dbraw/zinc/67/20/93/583672093.db2.gz KVYCDGTZHPQSRE-CMPLNLGQSA-N 0 3 238.287 0.105 20 0 BCADHN C[C@@]1(CO)C[C@@H](O)CN1Cc1cc[nH]c(=O)c1 ZINC000895433279 583672165 /nfs/dbraw/zinc/67/21/65/583672165.db2.gz KVYCDGTZHPQSRE-PWSUYJOCSA-N 0 3 238.287 0.105 20 0 BCADHN COC(=O)C1CC(NCc2c[nH]cn2)C1 ZINC000895456097 583676861 /nfs/dbraw/zinc/67/68/61/583676861.db2.gz CDVVJGHAZKKGEI-UHFFFAOYSA-N 0 3 209.249 0.451 20 0 BCADHN COC(=O)C1CC(NCc2cnc[nH]2)C1 ZINC000895456097 583676863 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VGRXWAXYADYDIC-GFCCVEGCSA-N 0 3 248.286 0.453 20 0 BCADHN OCCC1CC(NCc2cnc3cnccn23)C1 ZINC000898007989 584070551 /nfs/dbraw/zinc/07/05/51/584070551.db2.gz ISGQBUULEJRBNV-UHFFFAOYSA-N 0 3 246.314 0.980 20 0 BCADHN C[C@H]1[C@@H](CO)CCCN1C(=O)[C@@H]1CCCN1C ZINC000897983907 584072282 /nfs/dbraw/zinc/07/22/82/584072282.db2.gz NQVTYWBODVKZJY-TUAOUCFPSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H]1[C@H](CO)CCCN1C(=O)[C@H]1CCCN1C ZINC000897983905 584072363 /nfs/dbraw/zinc/07/23/63/584072363.db2.gz NQVTYWBODVKZJY-SDDRHHMPSA-N 0 3 240.347 0.700 20 0 BCADHN CCN(CC(=O)NC)c1ccnc(CO)c1 ZINC000858431703 588954600 /nfs/dbraw/zinc/95/46/00/588954600.db2.gz GIOAEBQVNKPEGZ-UHFFFAOYSA-N 0 3 223.276 0.146 20 0 BCADHN COc1nn(C)cc1CN[C@H](C)[C@@H]1CCOC1 ZINC000898025708 584076730 /nfs/dbraw/zinc/07/67/30/584076730.db2.gz MQPZDJSZXWVWJI-NXEZZACHSA-N 0 3 239.319 0.943 20 0 BCADHN COc1nn(C)cc1CNC[C@H]1CCCOC1 ZINC000898028998 584076858 /nfs/dbraw/zinc/07/68/58/584076858.db2.gz CDDHGKVFKBEFSH-SNVBAGLBSA-N 0 3 239.319 0.945 20 0 BCADHN COC[C@@H](C)CNCc1cn(C)nc1OC ZINC000898026398 584076871 /nfs/dbraw/zinc/07/68/71/584076871.db2.gz VVKWCTHHTBHLRT-VIFPVBQESA-N 0 3 227.308 0.801 20 0 BCADHN COc1nn(C)cc1CN[C@H]1CN(C)C[C@H]1C ZINC000898029391 584077218 /nfs/dbraw/zinc/07/72/18/584077218.db2.gz QBQHLYRPGSGUBV-KOLCDFICSA-N 0 3 238.335 0.468 20 0 BCADHN CCC[C@]1(CO)CCN([C@@H](CC)C(N)=O)C1 ZINC000344167758 584081746 /nfs/dbraw/zinc/08/17/46/584081746.db2.gz NWPGXWGEZHXVIL-JQWIXIFHSA-N 0 3 228.336 0.735 20 0 BCADHN CCn1nnc(C)c1CN[C@@H](C)C(C)(C)O ZINC000898123414 584084490 /nfs/dbraw/zinc/08/44/90/584084490.db2.gz WZSRPAUGRIOZSK-VIFPVBQESA-N 0 3 226.324 0.855 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCC[C@@H](O)C1CC1 ZINC000898203925 584091062 /nfs/dbraw/zinc/09/10/62/584091062.db2.gz LDUBKTCKKCGSGX-MWLCHTKSSA-N 0 3 249.376 0.560 20 0 BCADHN Cc1n[nH]cc1CNCC[C@@H](O)C1CC1 ZINC000898206590 584091744 /nfs/dbraw/zinc/09/17/44/584091744.db2.gz QRZHHMXAPMXIFO-LLVKDONJSA-N 0 3 209.293 0.969 20 0 BCADHN O[C@H](CCNCc1cncnc1)C1CC1 ZINC000898206662 584091779 /nfs/dbraw/zinc/09/17/79/584091779.db2.gz RYIBTXCMRJEJJE-LLVKDONJSA-N 0 3 207.277 0.727 20 0 BCADHN CCC(=O)N1CC[C@@H](Nc2ccnc(CO)c2)C1 ZINC000858446896 588956116 /nfs/dbraw/zinc/95/61/16/588956116.db2.gz KWKWPVGTKXJWMK-LLVKDONJSA-N 0 3 249.314 0.997 20 0 BCADHN Cc1c[nH]nc1CNCC[C@H](O)C1CC1 ZINC000898198785 584098091 /nfs/dbraw/zinc/09/80/91/584098091.db2.gz UPYQXRUSBSIFML-NSHDSACASA-N 0 3 209.293 0.969 20 0 BCADHN Cc1cc(CNCC[C@H](O)C2CC2)n(C)n1 ZINC000898200102 584099440 /nfs/dbraw/zinc/09/94/40/584099440.db2.gz VLIKIPJKTHCXFM-LBPRGKRZSA-N 0 3 223.320 0.979 20 0 BCADHN C[C@H](CO)NC(=O)NCCN1CCC(C)(C)C1 ZINC000898595434 584144691 /nfs/dbraw/zinc/14/46/91/584144691.db2.gz FVQULBCLBHVIJJ-SNVBAGLBSA-N 0 3 243.351 0.398 20 0 BCADHN CC[C@]1(O)CCN(c2ccnc(CO)c2)C1 ZINC000858491425 588960324 /nfs/dbraw/zinc/96/03/24/588960324.db2.gz HKAZONKIVMJYRD-LBPRGKRZSA-N 0 3 222.288 0.925 20 0 BCADHN C[C@@H]1CC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000858502763 588960914 /nfs/dbraw/zinc/96/09/14/588960914.db2.gz QHIUSISNTJYBLW-RITPCOANSA-N 0 3 208.269 0.637 20 0 BCADHN Nc1nc(N)nc(NC[C@H]2CCC=CO2)n1 ZINC000858502704 588961056 /nfs/dbraw/zinc/96/10/56/588961056.db2.gz ODQKXSNTNMCVOP-ZCFIWIBFSA-N 0 3 222.252 0.141 20 0 BCADHN C[NH+](C)[C@H]1C[C@H](NC(=O)c2c[n-]nn2)C12CCC2 ZINC000898845450 584161007 /nfs/dbraw/zinc/16/10/07/584161007.db2.gz MSAKIDDGQOGDRV-UWVGGRQHSA-N 0 3 249.318 0.407 20 0 BCADHN C[NH+](C)[C@H]1C[C@H](NC(=O)c2cnn[n-]2)C12CCC2 ZINC000898845450 584161009 /nfs/dbraw/zinc/16/10/09/584161009.db2.gz MSAKIDDGQOGDRV-UWVGGRQHSA-N 0 3 249.318 0.407 20 0 BCADHN C[NH+](C)[C@H]1C[C@H](NC(=O)c2cn[n-]n2)C12CCC2 ZINC000898845450 584161011 /nfs/dbraw/zinc/16/10/11/584161011.db2.gz MSAKIDDGQOGDRV-UWVGGRQHSA-N 0 3 249.318 0.407 20 0 BCADHN OCc1cc(N2CC[C@@](F)(CO)C2)ccn1 ZINC000858532279 588963129 /nfs/dbraw/zinc/96/31/29/588963129.db2.gz IMOVLUHRTGPVAH-NSHDSACASA-N 0 3 226.251 0.485 20 0 BCADHN C[C@H](NCCN1CC[C@@H](O)C1)c1ncc[nH]1 ZINC000858548474 588964073 /nfs/dbraw/zinc/96/40/73/588964073.db2.gz MIDUCZDPTUBEDB-VHSXEESVSA-N 0 3 224.308 0.127 20 0 BCADHN CNC(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000899244377 584186146 /nfs/dbraw/zinc/18/61/46/584186146.db2.gz AEWZTIXMKPFBHM-NXEZZACHSA-N 0 3 205.261 0.540 20 0 BCADHN C[C@@H](NCCN1CC[C@@H](O)C1)c1ncc[nH]1 ZINC000858548468 588964317 /nfs/dbraw/zinc/96/43/17/588964317.db2.gz MIDUCZDPTUBEDB-NXEZZACHSA-N 0 3 224.308 0.127 20 0 BCADHN Cc1ccc(N2C(=O)N[C@H](CN(C)C)C2=O)cn1 ZINC000899304706 584196150 /nfs/dbraw/zinc/19/61/50/584196150.db2.gz BRCNKKUDWDIFOO-SNVBAGLBSA-N 0 3 248.286 0.376 20 0 BCADHN CN(C)C(=O)[C@H]1CCN(c2ccnc(CO)c2)C1 ZINC000858567577 588967090 /nfs/dbraw/zinc/96/70/90/588967090.db2.gz FRYJXNPXERBOGZ-JTQLQIEISA-N 0 3 249.314 0.488 20 0 BCADHN CN(C)CCNC(=S)NC/C=C/Cl ZINC000899722180 584229514 /nfs/dbraw/zinc/22/95/14/584229514.db2.gz QTUFDXMOJDOLOR-ONEGZZNKSA-N 0 3 221.757 0.765 20 0 BCADHN CCCCCC(=O)NCCN(C)CCO ZINC000899730358 584230824 /nfs/dbraw/zinc/23/08/24/584230824.db2.gz WYGLCPRMKLHINR-UHFFFAOYSA-N 0 3 216.325 0.607 20 0 BCADHN CN(CCO)CCNC(=O)[C@H]1CC12CCCC2 ZINC000899735091 584231291 /nfs/dbraw/zinc/23/12/91/584231291.db2.gz WLZXWEUHUPNHPZ-LLVKDONJSA-N 0 3 240.347 0.607 20 0 BCADHN CN(CCO)CCNC(=O)CCc1ccoc1 ZINC000899735272 584231364 /nfs/dbraw/zinc/23/13/64/584231364.db2.gz ZTPGAMMPSZMSBW-UHFFFAOYSA-N 0 3 240.303 0.253 20 0 BCADHN CN(CCO)CCNC(=O)CC(C)(C)C1CC1 ZINC000899738601 584232279 /nfs/dbraw/zinc/23/22/79/584232279.db2.gz ILYYVYFBLCGTJR-UHFFFAOYSA-N 0 3 242.363 0.853 20 0 BCADHN CN(CCO)CCNC(=O)C1(F)CCCC1 ZINC000899737654 584232384 /nfs/dbraw/zinc/23/23/84/584232384.db2.gz NSKQFPLPCXYYRS-UHFFFAOYSA-N 0 3 232.299 0.309 20 0 BCADHN CC[C@@H](C)[C@H](C)C(=O)NCCN(C)CCO ZINC000899737387 584232479 /nfs/dbraw/zinc/23/24/79/584232479.db2.gz HQUMZUXUJKMCLI-MNOVXSKESA-N 0 3 230.352 0.709 20 0 BCADHN C=Cc1ccc(C(=O)NCCN(C)CCO)cc1 ZINC000899737777 584232621 /nfs/dbraw/zinc/23/26/21/584232621.db2.gz PXXJDWBUPGJNHN-UHFFFAOYSA-N 0 3 248.326 0.984 20 0 BCADHN Cc1cc(C(=O)NCCN(C)CCO)co1 ZINC000899737238 584232732 /nfs/dbraw/zinc/23/27/32/584232732.db2.gz FIBOJCAJSGQTSM-UHFFFAOYSA-N 0 3 226.276 0.242 20 0 BCADHN C[C@@H]1CCC[C@@H]1CC(=O)NCCN(C)CCO ZINC000899737622 584232813 /nfs/dbraw/zinc/23/28/13/584232813.db2.gz MCOFYCFZPUHRAV-VXGBXAGGSA-N 0 3 242.363 0.853 20 0 BCADHN Cc1cc(C(=O)NCCN(C)CCO)ns1 ZINC000899737730 584233119 /nfs/dbraw/zinc/23/31/19/584233119.db2.gz NFMNUBWALAJBGP-UHFFFAOYSA-N 0 3 243.332 0.105 20 0 BCADHN CN(CCO)CCNC(=O)[C@]12C[C@H]1CCCC2 ZINC000899742132 584234741 /nfs/dbraw/zinc/23/47/41/584234741.db2.gz ZVYPKAZINLYYMO-DGCLKSJQSA-N 0 3 240.347 0.607 20 0 BCADHN CCn1cc(CN2CC[C@H]3CN(C)C[C@H]32)nn1 ZINC000899866174 584245215 /nfs/dbraw/zinc/24/52/15/584245215.db2.gz XIFTTZWZWWUBAI-CMPLNLGQSA-N 0 3 235.335 0.434 20 0 BCADHN CCn1cc(CN2CC[C@@H]3CN(C)C[C@H]32)nn1 ZINC000899866177 584245459 /nfs/dbraw/zinc/24/54/59/584245459.db2.gz XIFTTZWZWWUBAI-ZYHUDNBSSA-N 0 3 235.335 0.434 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CC[C@H]1C ZINC000858580059 588968639 /nfs/dbraw/zinc/96/86/39/588968639.db2.gz JTZSXUNKPIAMGM-HRDYMLBCSA-N 0 3 200.282 0.783 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H](C)[C@@H]1CCCCO1 ZINC000858580551 588968649 /nfs/dbraw/zinc/96/86/49/588968649.db2.gz RDPGQIHGZVJPJQ-DCAQKATOSA-N 0 3 244.335 0.942 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H](C)Cn1cccn1 ZINC000858579275 588968660 /nfs/dbraw/zinc/96/86/60/588968660.db2.gz CTLIBUXUUGESRH-UWVGGRQHSA-N 0 3 240.307 0.270 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CCSC1 ZINC000858581425 588968686 /nfs/dbraw/zinc/96/86/86/588968686.db2.gz DYPFZFAFFXPRIH-JGVFFNPUSA-N 0 3 218.322 0.490 20 0 BCADHN CN(C(=O)CCF)C1CCN(C)CC1 ZINC000899908608 584249602 /nfs/dbraw/zinc/24/96/02/584249602.db2.gz BUHWOGPLKSLLFE-UHFFFAOYSA-N 0 3 202.273 0.899 20 0 BCADHN CCOC[C@H](C)N[C@@H](C)C(=O)N(C)OC ZINC000858579249 588968898 /nfs/dbraw/zinc/96/88/98/588968898.db2.gz PNQVOIVGVLIACR-IUCAKERBSA-N 0 3 218.297 0.409 20 0 BCADHN CCC/C=C/[C@@H](O)C(=O)NCCN(C)C ZINC000899919643 584252163 /nfs/dbraw/zinc/25/21/63/584252163.db2.gz DFQVUGOHVQDIFX-VQCYPWCPSA-N 0 3 214.309 0.381 20 0 BCADHN O=C(NCc1cccnc1)C12CCN(CC1)C2 ZINC000899914595 584254123 /nfs/dbraw/zinc/25/41/23/584254123.db2.gz ALVRAFHVORPUKM-UHFFFAOYSA-N 0 3 231.299 0.794 20 0 BCADHN NC(=O)CCN1CC(Cc2ccoc2)C1 ZINC000899917025 584254844 /nfs/dbraw/zinc/25/48/44/584254844.db2.gz TZIPGFCMSDZENR-UHFFFAOYSA-N 0 3 208.261 0.629 20 0 BCADHN CN1CCC[C@](O)(CC(=O)NC2CC2)C1 ZINC000899928186 584255529 /nfs/dbraw/zinc/25/55/29/584255529.db2.gz ZBUKADGCSFIMDW-NSHDSACASA-N 0 3 212.293 0.112 20 0 BCADHN COCc1noc(-c2cc3n(n2)CCC[C@@H]3N)n1 ZINC000900003425 584263228 /nfs/dbraw/zinc/26/32/28/584263228.db2.gz JHIZIDKCYFGXTC-ZETCQYMHSA-N 0 3 249.274 0.873 20 0 BCADHN Cc1ncc(C(=O)NC2CCN(C)CC2)n1C ZINC000900002223 584263544 /nfs/dbraw/zinc/26/35/44/584263544.db2.gz OFPPWOMXCBJWQN-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN CN(C)CCn1nccc1C(=O)N1CCC1 ZINC000900007550 584264917 /nfs/dbraw/zinc/26/49/17/584264917.db2.gz PPACMOMRYAHJJT-UHFFFAOYSA-N 0 3 222.292 0.291 20 0 BCADHN CN1CCC[C@](O)(CC(=O)N2CCC2)C1 ZINC000900008076 584264955 /nfs/dbraw/zinc/26/49/55/584264955.db2.gz ZBHIXVHTAUFPHQ-NSHDSACASA-N 0 3 212.293 0.066 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)NC[C@H]1CCCN1CC ZINC000900009924 584265302 /nfs/dbraw/zinc/26/53/02/584265302.db2.gz QMTGPRCUTCUQHH-UTUOFQBUSA-N 0 3 242.363 0.994 20 0 BCADHN CC(=O)NCCN(C)c1ccnc(CO)c1 ZINC000858601574 588970350 /nfs/dbraw/zinc/97/03/50/588970350.db2.gz WZXKVOXYOYBKNU-UHFFFAOYSA-N 0 3 223.276 0.146 20 0 BCADHN C[C@@H]1C(=O)N(C)CN1c1ccnc(CO)c1 ZINC000858601808 588970812 /nfs/dbraw/zinc/97/08/12/588970812.db2.gz KOGCQCPPOSXMEY-MRVPVSSYSA-N 0 3 221.260 0.198 20 0 BCADHN C[C@@H](CNC(=O)c1n[nH]cc1F)N(C)C ZINC000900163395 584281259 /nfs/dbraw/zinc/28/12/59/584281259.db2.gz OSPYOWYXRJXGBW-LURJTMIESA-N 0 3 214.244 0.229 20 0 BCADHN C[C@H](CNC(=O)CNc1ccccn1)N(C)C ZINC000900163408 584281393 /nfs/dbraw/zinc/28/13/93/584281393.db2.gz OZZFRUXRKQXVPG-SNVBAGLBSA-N 0 3 236.319 0.560 20 0 BCADHN C[C@@H](CNC(=O)Cc1c[nH]cn1)N(C)C ZINC000900163971 584281790 /nfs/dbraw/zinc/28/17/90/584281790.db2.gz WJAANPXZJWSQIP-QMMMGPOBSA-N 0 3 210.281 0.019 20 0 BCADHN C[C@H](CNC(=O)c1ccn2nccc2n1)N(C)C ZINC000900163838 584281926 /nfs/dbraw/zinc/28/19/26/584281926.db2.gz UCBRJLYJWKTBTP-SECBINFHSA-N 0 3 247.302 0.409 20 0 BCADHN CCN1CCN(CCCNC(=O)CCF)CC1 ZINC000900191981 584284919 /nfs/dbraw/zinc/28/49/19/584284919.db2.gz IIVNBUKJZYNTJI-UHFFFAOYSA-N 0 3 245.342 0.490 20 0 BCADHN CN1CCC[C@](O)(CC(=O)NCC2CCC2)C1 ZINC000900176543 584285147 /nfs/dbraw/zinc/28/51/47/584285147.db2.gz BIIKXWZHMGXZTJ-ZDUSSCGKSA-N 0 3 240.347 0.750 20 0 BCADHN C/C=C\[C@H](O)C(=O)NCCN1CCCCC1 ZINC000900206899 584285864 /nfs/dbraw/zinc/28/58/64/584285864.db2.gz DPNIDRAQEMWCOE-ZYVOWACSSA-N 0 3 226.320 0.526 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)NCCN1CCCCC1 ZINC000900207023 584285916 /nfs/dbraw/zinc/28/59/16/584285916.db2.gz IVNCTPILRFUZRA-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900203371 584286046 /nfs/dbraw/zinc/28/60/46/584286046.db2.gz HBQGXGHCKIIAJQ-WZRBSPASSA-N 0 3 240.347 0.605 20 0 BCADHN C/C=C/[C@H](O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000900209960 584286424 /nfs/dbraw/zinc/28/64/24/584286424.db2.gz VPCAAWFHIUQIDX-CHULQOHASA-N 0 3 240.347 0.772 20 0 BCADHN C/C=C/[C@H](O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000900209963 584286430 /nfs/dbraw/zinc/28/64/30/584286430.db2.gz VPCAAWFHIUQIDX-SCBUBVSKSA-N 0 3 240.347 0.772 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)NCCN(C)C1CC1 ZINC000900366707 584296792 /nfs/dbraw/zinc/29/67/92/584296792.db2.gz DRVKULOXYZJSOI-ONGXEEELSA-N 0 3 228.336 0.604 20 0 BCADHN O=C(Cc1c[nH]cn1)N1CCN(C2CC2)CC1 ZINC000900405242 584303588 /nfs/dbraw/zinc/30/35/88/584303588.db2.gz SZFHGKMLRWQUPK-UHFFFAOYSA-N 0 3 234.303 0.259 20 0 BCADHN C/C=C\[C@H](O)C(=O)N1CCC[C@H]1CN(C)C ZINC000900523600 584318614 /nfs/dbraw/zinc/31/86/14/584318614.db2.gz TVRJHHZUJAPPTA-UARRTVENSA-N 0 3 226.320 0.476 20 0 BCADHN 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PJNVCAXJQGGMAX-SECBINFHSA-N 0 3 228.292 0.596 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)OC1COC1 ZINC000902923862 584696871 /nfs/dbraw/zinc/69/68/71/584696871.db2.gz RCVNLOAMXUVZMR-UHFFFAOYSA-N 0 3 228.292 0.548 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)C(=O)OC(C)(C)C)CCN1C ZINC000902928416 584697901 /nfs/dbraw/zinc/69/79/01/584697901.db2.gz LVPNUAHNBWCIOQ-BDAKNGLRSA-N 0 3 242.319 0.537 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)Nc2ccncn2)CCN1C ZINC000902929736 584698436 /nfs/dbraw/zinc/69/84/36/584698436.db2.gz YANGIPKTNPCCJJ-BDAKNGLRSA-N 0 3 235.291 0.691 20 0 BCADHN C[C@@H]1[C@H](NC(=O)Nc2ccncn2)CCN1C ZINC000902929739 584698594 /nfs/dbraw/zinc/69/85/94/584698594.db2.gz YANGIPKTNPCCJJ-RKDXNWHRSA-N 0 3 235.291 0.691 20 0 BCADHN CC(C)(C)N1CC[C@@H]1CNC(=O)OC1COC1 ZINC000902952749 584704432 /nfs/dbraw/zinc/70/44/32/584704432.db2.gz CGWYTLIEFXLFIY-SECBINFHSA-N 0 3 242.319 0.984 20 0 BCADHN CCN(C(=O)OC1COC1)[C@@H]1CCN(CC)C1 ZINC000902952960 584704781 /nfs/dbraw/zinc/70/47/81/584704781.db2.gz JPTMREUQSNSUEO-SNVBAGLBSA-N 0 3 242.319 0.938 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)OC1COC1 ZINC000902963757 584707107 /nfs/dbraw/zinc/70/71/07/584707107.db2.gz JNUYKAGCLOXOSL-MNOVXSKESA-N 0 3 240.303 0.690 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)CCO ZINC000902964700 584707659 /nfs/dbraw/zinc/70/76/59/584707659.db2.gz SXLHVPWJYNAAGA-UWVGGRQHSA-N 0 3 212.293 0.064 20 0 BCADHN CC(=O)NCCCN[C@H](C)c1ccn(C)n1 ZINC000902978140 584707911 /nfs/dbraw/zinc/70/79/11/584707911.db2.gz ZAOPMOCVASRPHY-SECBINFHSA-N 0 3 224.308 0.597 20 0 BCADHN Cn1nncc1CN[C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902990313 584709581 /nfs/dbraw/zinc/70/95/81/584709581.db2.gz VKFWKPHXKLGPEV-JZRPKSSGSA-N 0 3 248.330 0.718 20 0 BCADHN CN(C(=O)OC1COC1)[C@H]1CCCN(C)C1 ZINC000903015032 584713100 /nfs/dbraw/zinc/71/31/00/584713100.db2.gz BXTPAMNYRQCYMT-VIFPVBQESA-N 0 3 228.292 0.548 20 0 BCADHN CC[C@H]1CN(CC)CCN1CCCNC(C)=O ZINC000902975241 584713337 /nfs/dbraw/zinc/71/33/37/584713337.db2.gz WZHTXPPPICDVJV-ZDUSSCGKSA-N 0 3 241.379 0.929 20 0 BCADHN CC[C@H](CO)N1CC[C@H](Nc2ncccn2)C1 ZINC000903020137 584714913 /nfs/dbraw/zinc/71/49/13/584714913.db2.gz VWDGRMRELDMJOG-WDEREUQCSA-N 0 3 236.319 0.734 20 0 BCADHN c1cnc(N[C@@H]2CCN([C@@H]3CCOC3)C2)nc1 ZINC000903022216 584720763 /nfs/dbraw/zinc/72/07/63/584720763.db2.gz GBBJXECCFJGSCC-GHMZBOCLSA-N 0 3 234.303 0.752 20 0 BCADHN COC[C@H](C)N1CC[C@@H](Nc2ncccn2)C1 ZINC000903020552 584720768 /nfs/dbraw/zinc/72/07/68/584720768.db2.gz ZVAVYIVGFXWWIW-WDEREUQCSA-N 0 3 236.319 0.998 20 0 BCADHN O[C@@H](CN1CC[C@@H](Nc2ncccn2)C1)C1CC1 ZINC000903023322 584720833 /nfs/dbraw/zinc/72/08/33/584720833.db2.gz OEMAKIPKQOCXAZ-NEPJUHHUSA-N 0 3 248.330 0.734 20 0 BCADHN COC[C@H](C)N1CC[C@H](Nc2ncccn2)C1 ZINC000903020551 584720876 /nfs/dbraw/zinc/72/08/76/584720876.db2.gz ZVAVYIVGFXWWIW-QWRGUYRKSA-N 0 3 236.319 0.998 20 0 BCADHN O[C@H](CN1CC[C@H](Nc2ncccn2)C1)C1CC1 ZINC000903023324 584721011 /nfs/dbraw/zinc/72/10/11/584721011.db2.gz OEMAKIPKQOCXAZ-NWDGAFQWSA-N 0 3 248.330 0.734 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCO[C@@]12CCOC2 ZINC000903057480 584722446 /nfs/dbraw/zinc/72/24/46/584722446.db2.gz HWSCLSRUWHPWJY-ZYHUDNBSSA-N 0 3 242.319 0.050 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1CCO[C@]12CCOC2 ZINC000903058634 584722664 /nfs/dbraw/zinc/72/26/64/584722664.db2.gz IXFKLPPCCXHQFS-NHCYSSNCSA-N 0 3 242.319 0.049 20 0 BCADHN CO[C@@H]1CCC[C@H]1NC[C@@H](O)c1cnn(C)c1 ZINC000903104557 584728068 /nfs/dbraw/zinc/72/80/68/584728068.db2.gz VSHGPNJUFGVVFQ-IJLUTSLNSA-N 0 3 239.319 0.611 20 0 BCADHN CO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)N(C)OC ZINC000903208832 584736664 /nfs/dbraw/zinc/73/66/64/584736664.db2.gz AIIKRGLRBAGJSG-IVZWLZJFSA-N 0 3 230.308 0.552 20 0 BCADHN C[C@H](N[C@@H]1CCN(C)[C@H]1C)c1ccc(=O)[nH]n1 ZINC000903302152 584744800 /nfs/dbraw/zinc/74/48/00/584744800.db2.gz WZJXGJUUHGPMIN-ATZCPNFKSA-N 0 3 236.319 0.925 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903286433 584745476 /nfs/dbraw/zinc/74/54/76/584745476.db2.gz JGIDZNKLRIJAJQ-LBWRMUMUSA-N 0 3 236.315 0.276 20 0 BCADHN C[C@H](NC[C@@H]1CCN1C)c1ccn(C)n1 ZINC000903315980 584749361 /nfs/dbraw/zinc/74/93/61/584749361.db2.gz AURRUWCROGDKIH-UWVGGRQHSA-N 0 3 208.309 0.775 20 0 BCADHN C[C@H](NC1CC(CCO)C1)c1cnnn1C ZINC000903333381 584750946 /nfs/dbraw/zinc/75/09/46/584750946.db2.gz PNUXKBFUFPNFBJ-IDKOKCKLSA-N 0 3 224.308 0.627 20 0 BCADHN C[C@H](NCc1cn(C)cn1)C(C)(C)CO ZINC000903352541 584755149 /nfs/dbraw/zinc/75/51/49/584755149.db2.gz UWAKSIIIVLEVIM-VIFPVBQESA-N 0 3 211.309 0.917 20 0 BCADHN C[C@H](C[C@H]1CCC(=O)N1)NCc1cn(C)cn1 ZINC000903351531 584755373 /nfs/dbraw/zinc/75/53/73/584755373.db2.gz LNPYFOJWVUQWAL-NXEZZACHSA-N 0 3 236.319 0.567 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NCC[C@H](O)C1CC1 ZINC000903407182 584758816 /nfs/dbraw/zinc/75/88/16/584758816.db2.gz MTFROZGOQMXOHO-VHSXEESVSA-N 0 3 226.320 0.262 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1N[C@H]1COC[C@H]1C1CC1 ZINC000903439877 584763258 /nfs/dbraw/zinc/76/32/58/584763258.db2.gz JEIWHXJKQVTDLY-DCAQKATOSA-N 0 3 238.331 0.526 20 0 BCADHN O=S(=O)([N-][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccco1 ZINC000903560560 584782581 /nfs/dbraw/zinc/78/25/81/584782581.db2.gz JQMPEFVTVLYEBR-DJLDLDEBSA-N 0 3 242.300 0.451 20 0 BCADHN C[C@H](NS(=O)(=O)C1CNC1)c1cncs1 ZINC000903555310 584782995 /nfs/dbraw/zinc/78/29/95/584782995.db2.gz IUDLOKCVPGBZKA-LURJTMIESA-N 0 3 247.345 0.095 20 0 BCADHN CNCCN(C(C)C)S(=O)(=O)c1ccoc1 ZINC000903591176 584785152 /nfs/dbraw/zinc/78/51/52/584785152.db2.gz IZEJRRSZTACHPB-UHFFFAOYSA-N 0 3 246.332 0.898 20 0 BCADHN CO[C@@H]1CCN(C[C@H](O)CC2(O)CCC2)C1 ZINC000859155736 589010816 /nfs/dbraw/zinc/01/08/16/589010816.db2.gz FYJNFROHUGVLIK-GHMZBOCLSA-N 0 3 229.320 0.373 20 0 BCADHN C[C@H]1OCC[C@H]1NCc1cc(N)ccn1 ZINC000903949872 584830587 /nfs/dbraw/zinc/83/05/87/584830587.db2.gz FZNQVYOTQGQUMW-LDYMZIIASA-N 0 3 207.277 0.931 20 0 BCADHN CCN(CCC(N)=O)Cc1ccc(N)nc1 ZINC000903987355 584836014 /nfs/dbraw/zinc/83/60/14/584836014.db2.gz CXYYYMKHUJRBET-UHFFFAOYSA-N 0 3 222.292 0.361 20 0 BCADHN Cc1ccc(-c2nc(N3CCNCC3)no2)nc1 ZINC000904126603 584842687 /nfs/dbraw/zinc/84/26/87/584842687.db2.gz OZARVUXBOOOROJ-UHFFFAOYSA-N 0 3 245.286 0.850 20 0 BCADHN CCN(Cc1ccc(N)nn1)C[C@H]1CCOC1 ZINC000904309647 584862595 /nfs/dbraw/zinc/86/25/95/584862595.db2.gz OATPJVCHODOXIV-SNVBAGLBSA-N 0 3 236.319 0.917 20 0 BCADHN CC[C@@](C)(CCO)NCc1ccc(N)nn1 ZINC000904328534 584865644 /nfs/dbraw/zinc/86/56/44/584865644.db2.gz GLWXMNLGIPNLOC-NSHDSACASA-N 0 3 224.308 0.700 20 0 BCADHN CCC(CC)[C@@H](O)CNCc1ccc(N)nn1 ZINC000904363549 584874440 /nfs/dbraw/zinc/87/44/40/584874440.db2.gz IKZSTDPNBHZNNV-NSHDSACASA-N 0 3 238.335 0.946 20 0 BCADHN CN(CCN1CCCCC1)Cc1ccc(N)nn1 ZINC000904376362 584875985 /nfs/dbraw/zinc/87/59/85/584875985.db2.gz PSAQLZUPAONIAM-UHFFFAOYSA-N 0 3 249.362 0.977 20 0 BCADHN CC(C)[C@H]1CN(Cc2ccc(N)nn2)CCN1C ZINC000904383952 584877094 /nfs/dbraw/zinc/87/70/94/584877094.db2.gz FBKQAOIIPYOANG-GFCCVEGCSA-N 0 3 249.362 0.831 20 0 BCADHN CC/C=C(\F)C(=O)N1CCN(C)C[C@@H]1CN ZINC000876542885 584886153 /nfs/dbraw/zinc/88/61/53/584886153.db2.gz YRSDQVARDFJQPR-SGRPLGENSA-N 0 3 229.299 0.351 20 0 BCADHN CCCN(C)CC(=O)N(CC)CCC(=O)NC ZINC000888263519 584896775 /nfs/dbraw/zinc/89/67/75/584896775.db2.gz TZWVWXHELXPDBL-UHFFFAOYSA-N 0 3 243.351 0.313 20 0 BCADHN C[S@@](=O)CCN[C@@H]1Cc2cccc(O)c2C1 ZINC000828426972 584903448 /nfs/dbraw/zinc/90/34/48/584903448.db2.gz FKOIFIHIFGPBLH-QLJPJBMISA-N 0 3 239.340 0.828 20 0 BCADHN C[S@@](=O)CCN[C@H]1Cc2cccc(O)c2C1 ZINC000828426963 584903527 /nfs/dbraw/zinc/90/35/27/584903527.db2.gz FKOIFIHIFGPBLH-MGPLVRAMSA-N 0 3 239.340 0.828 20 0 BCADHN Cc1n[nH]c([C@@H]2CCN(CC[S@@](C)=O)C2)n1 ZINC000828626660 584904029 /nfs/dbraw/zinc/90/40/29/584904029.db2.gz JQRHCFKLZACXRU-JDNHERCYSA-N 0 3 242.348 0.281 20 0 BCADHN Cc1nc([C@@H]2CCN(CC[S@@](C)=O)C2)n[nH]1 ZINC000828626660 584904030 /nfs/dbraw/zinc/90/40/30/584904030.db2.gz JQRHCFKLZACXRU-JDNHERCYSA-N 0 3 242.348 0.281 20 0 BCADHN Cc1nnc([C@@H]2CCN(CC[S@@](C)=O)C2)[nH]1 ZINC000828626660 584904032 /nfs/dbraw/zinc/90/40/32/584904032.db2.gz JQRHCFKLZACXRU-JDNHERCYSA-N 0 3 242.348 0.281 20 0 BCADHN Nc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)c([O-])c1 ZINC000832200028 584911364 /nfs/dbraw/zinc/91/13/64/584911364.db2.gz AHLMLHCIBRAPJK-SECBINFHSA-N 0 3 235.287 0.538 20 0 BCADHN Cn1ccnc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000741264969 584915109 /nfs/dbraw/zinc/91/51/09/584915109.db2.gz UPIOOVSFWBKADW-JTQLQIEISA-N 0 3 236.319 0.492 20 0 BCADHN CCOCCN(CC)CCN1CCOC1=O ZINC000731104241 584922335 /nfs/dbraw/zinc/92/23/35/584922335.db2.gz WXFOWILRMKRZHJ-UHFFFAOYSA-N 0 3 230.308 0.797 20 0 BCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc[nH]c1 ZINC000731622456 584927718 /nfs/dbraw/zinc/92/77/18/584927718.db2.gz RFHQTBITLWNRCL-RYUDHWBXSA-N 0 3 249.314 0.608 20 0 BCADHN COC[C@@H](O)CN1CCCC[C@H]1C1OCCO1 ZINC000732694975 584939934 /nfs/dbraw/zinc/93/99/34/584939934.db2.gz HALYDYPQRCWRJF-QWRGUYRKSA-N 0 3 245.319 0.221 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=S)NCCN(C)C ZINC000732725703 584940548 /nfs/dbraw/zinc/94/05/48/584940548.db2.gz ULFJNICQUAZONO-ZJUUUORDSA-N 0 3 247.408 0.419 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)N[C@H](CN(C)C)C(C)C ZINC000733164410 584943829 /nfs/dbraw/zinc/94/38/29/584943829.db2.gz RXEZQGXKDILQDV-GXSJLCMTSA-N 0 3 243.351 0.213 20 0 BCADHN Cc1ncsc1CNCC[S@](C)=O ZINC000126866500 584944201 /nfs/dbraw/zinc/94/42/01/584944201.db2.gz HSPWCCGDVIXPCG-CYBMUJFWSA-N 0 3 218.347 0.920 20 0 BCADHN CC[C@H](NC(=O)[C@H](N)CCOC)[C@@H]1CCCO1 ZINC000884380204 584951590 /nfs/dbraw/zinc/95/15/90/584951590.db2.gz WRZQVJPPSLPFIP-VWYCJHECSA-N 0 3 244.335 0.424 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@](C)(CO)C1CC1 ZINC000768876218 584953630 /nfs/dbraw/zinc/95/36/30/584953630.db2.gz ADTASIYOTAOZLI-LBPRGKRZSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H](O)CCNC(=S)NC1CCN(C)CC1 ZINC000734097951 584957085 /nfs/dbraw/zinc/95/70/85/584957085.db2.gz FPDHDIPJXOULQO-SECBINFHSA-N 0 3 245.392 0.316 20 0 BCADHN Cc1nonc1CN1CCO[C@@H](CN(C)C)C1 ZINC000734148986 584957610 /nfs/dbraw/zinc/95/76/10/584957610.db2.gz SHVQFKOAUSANJT-JTQLQIEISA-N 0 3 240.307 0.140 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)C1=COCC1 ZINC000734121191 584957997 /nfs/dbraw/zinc/95/79/97/584957997.db2.gz GPGVMTBAURKGAX-LLVKDONJSA-N 0 3 224.304 0.891 20 0 BCADHN CN1CCC[C@@H](CNC(=O)C2=COCC2)C1 ZINC000734128114 584958616 /nfs/dbraw/zinc/95/86/16/584958616.db2.gz FBTMNHUXYDBOFK-JTQLQIEISA-N 0 3 224.304 0.749 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)C1=COCC1 ZINC000734128927 584958833 /nfs/dbraw/zinc/95/88/33/584958833.db2.gz FTFBJDMCWPRMNK-LLVKDONJSA-N 0 3 226.320 0.993 20 0 BCADHN COCCOC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000885055503 584964902 /nfs/dbraw/zinc/96/49/02/584964902.db2.gz XYAZTVBKTHPXNJ-ONGXEEELSA-N 0 3 242.319 0.842 20 0 BCADHN CC(C)OCC[C@H](O)CN1CCN(C)[C@H](C)C1 ZINC000788065746 584968786 /nfs/dbraw/zinc/96/87/86/584968786.db2.gz DTKHLZOZOCTNJP-OLZOCXBDSA-N 0 3 244.379 0.798 20 0 BCADHN C/C=C/C(=O)N(C)CCCN1CCN(C)CC1 ZINC000735703821 584981008 /nfs/dbraw/zinc/98/10/08/584981008.db2.gz LLHRDUWGNPVKKR-GQCTYLIASA-N 0 3 239.363 0.658 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@@H](O)C(C)(C)C)[C@@H]2C1 ZINC000816949141 584982077 /nfs/dbraw/zinc/98/20/77/584982077.db2.gz PBXNTBZCEHEIRH-HBNTYKKESA-N 0 3 240.347 0.556 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3=CCCCO3)[C@H]2C1 ZINC000816950404 584982408 /nfs/dbraw/zinc/98/24/08/584982408.db2.gz RIOKOFHPWXHVMA-MNOVXSKESA-N 0 3 236.315 0.843 20 0 BCADHN CCN1CCC(NC(=O)c2ncccn2)CC1 ZINC000735843196 584982890 /nfs/dbraw/zinc/98/28/90/584982890.db2.gz SYPLYSJLNQYNAK-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN C[C@@H](CCO)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000735985124 584985352 /nfs/dbraw/zinc/98/53/52/584985352.db2.gz FCHLJACZHLSJKZ-VIFPVBQESA-N 0 3 247.302 0.727 20 0 BCADHN C[C@@H](CCO)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000735985124 584985353 /nfs/dbraw/zinc/98/53/53/584985353.db2.gz FCHLJACZHLSJKZ-VIFPVBQESA-N 0 3 247.302 0.727 20 0 BCADHN COC1([C@H](C)NCCS(C)(=O)=O)CCCC1 ZINC000817575796 584987255 /nfs/dbraw/zinc/98/72/55/584987255.db2.gz ZOXZQPMJHSDLMG-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)CN2CCCC2)C1 ZINC000820485040 585013814 /nfs/dbraw/zinc/01/38/14/585013814.db2.gz HYJJKYZXMZKXHK-GFCCVEGCSA-N 0 3 239.363 0.540 20 0 BCADHN CC(=O)N1CCN(C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000885944991 585031237 /nfs/dbraw/zinc/03/12/37/585031237.db2.gz XJBIGAWOSKSQLJ-QWHCGFSZSA-N 0 3 238.331 0.577 20 0 BCADHN C[C@H](CCO)NCc1n[nH]c(C(C)(C)C)n1 ZINC000840789371 585033082 /nfs/dbraw/zinc/03/30/82/585033082.db2.gz CZQIWYJZNITKLD-MRVPVSSYSA-N 0 3 226.324 0.963 20 0 BCADHN C[C@H](CCO)[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000840789371 585033083 /nfs/dbraw/zinc/03/30/83/585033083.db2.gz CZQIWYJZNITKLD-MRVPVSSYSA-N 0 3 226.324 0.963 20 0 BCADHN CC/C=C\CNC(=S)NCCN(C)C ZINC000840790919 585036568 /nfs/dbraw/zinc/03/65/68/585036568.db2.gz OEAFYLHLCNJRMM-WAYWQWQTSA-N 0 3 215.366 0.978 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1C(=S)NCCN(C)C ZINC000840791492 585041134 /nfs/dbraw/zinc/04/11/34/585041134.db2.gz GTBRYXUZQRKPJL-NXEZZACHSA-N 0 3 245.392 0.268 20 0 BCADHN COC(=O)[C@@H](F)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000838070933 585044724 /nfs/dbraw/zinc/04/47/24/585044724.db2.gz XVAXFUBWNDKKCH-DTWKUNHWSA-N 0 3 248.298 0.200 20 0 BCADHN C[C@@H](CNC(=S)NC[C@@H]1CCCO1)N(C)C ZINC000840810690 585051561 /nfs/dbraw/zinc/05/15/61/585051561.db2.gz VMASONJHAHGJHN-UWVGGRQHSA-N 0 3 245.392 0.580 20 0 BCADHN CN(CCF)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000838478169 585059213 /nfs/dbraw/zinc/05/92/13/585059213.db2.gz UPCDIQPBXJELBD-VIFPVBQESA-N 0 3 229.299 0.834 20 0 BCADHN CCCCN(CC(N)=O)C[C@H](O)C1CC1 ZINC000838792618 585068511 /nfs/dbraw/zinc/06/85/11/585068511.db2.gz TUELALGBDKHPBT-JTQLQIEISA-N 0 3 214.309 0.345 20 0 BCADHN CCCN(CC(=O)N(C)C)C[C@@H](O)C1CC1 ZINC000838799478 585069178 /nfs/dbraw/zinc/06/91/78/585069178.db2.gz QXEBTJDABCZLOY-LLVKDONJSA-N 0 3 228.336 0.558 20 0 BCADHN CN(C)C(=O)[C@@H]1CCCN1C[C@@H](O)C1CC1 ZINC000838791774 585070736 /nfs/dbraw/zinc/07/07/36/585070736.db2.gz VJNDMZAQUAAZJG-WDEREUQCSA-N 0 3 226.320 0.310 20 0 BCADHN O[C@H](CN1CC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000838864336 585075901 /nfs/dbraw/zinc/07/59/01/585075901.db2.gz HEGUOCIELTYPAZ-RKDXNWHRSA-N 0 3 239.237 0.756 20 0 BCADHN CC(=O)N1CCN(C[C@H](O)C2CC2)C(C)(C)C1 ZINC000838915927 585078218 /nfs/dbraw/zinc/07/82/18/585078218.db2.gz MHCOKIMQEWBIDL-LBPRGKRZSA-N 0 3 240.347 0.700 20 0 BCADHN CN(C[C@@H](O)C1CC1)C1(C(N)=O)CCCC1 ZINC000838900778 585080074 /nfs/dbraw/zinc/08/00/74/585080074.db2.gz KURSYEHCXDNABI-SNVBAGLBSA-N 0 3 226.320 0.487 20 0 BCADHN CCCCCN(CC(N)=O)C[C@@H](O)C1CC1 ZINC000838926666 585080985 /nfs/dbraw/zinc/08/09/85/585080985.db2.gz SXKWQNVKLLRXFW-LLVKDONJSA-N 0 3 228.336 0.735 20 0 BCADHN CCn1ncc(CN[C@@H]2CCN(CC3CC3)C2)n1 ZINC000838941572 585082010 /nfs/dbraw/zinc/08/20/10/585082010.db2.gz CAAKLJCYZTVMCR-GFCCVEGCSA-N 0 3 249.362 0.872 20 0 BCADHN CCn1ncc(CN[C@@H]2CN(C3CC3)C[C@@H]2C)n1 ZINC000838981403 585083908 /nfs/dbraw/zinc/08/39/08/585083908.db2.gz PWNCEHSKPWWIGB-GXFFZTMASA-N 0 3 249.362 0.870 20 0 BCADHN CCN1CCN(C[C@H](O)C2CC2)[C@H](C)C1 ZINC000839004967 585086378 /nfs/dbraw/zinc/08/63/78/585086378.db2.gz BHRRUTGKGXAUID-PWSUYJOCSA-N 0 3 212.337 0.783 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(C[C@@H](O)C3CC3)C[C@@H]21 ZINC000839023368 585087645 /nfs/dbraw/zinc/08/76/45/585087645.db2.gz JDIOOWIQALWHLE-YTWAJWBKSA-N 0 3 225.288 0.108 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(C[C@H](O)C3CC3)C[C@@H]21 ZINC000839023370 585087820 /nfs/dbraw/zinc/08/78/20/585087820.db2.gz JDIOOWIQALWHLE-ZRUFSTJUSA-N 0 3 225.288 0.108 20 0 BCADHN CCn1ncc(CNCC2(N(C)C)CCC2)n1 ZINC000839031728 585088361 /nfs/dbraw/zinc/08/83/61/585088361.db2.gz TYIHRELSKQJLBC-UHFFFAOYSA-N 0 3 237.351 0.872 20 0 BCADHN CO[C@@H]1CCC[C@H]1OC(=O)C1CCN(C)C1=O ZINC000839108561 585091321 /nfs/dbraw/zinc/09/13/21/585091321.db2.gz XXBJMDKAIFIWHC-IVZWLZJFSA-N 0 3 241.287 0.575 20 0 BCADHN CCn1ncc(CN2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000839110436 585091517 /nfs/dbraw/zinc/09/15/17/585091517.db2.gz GVYPSDQDFSOMDW-JQWIXIFHSA-N 0 3 235.335 0.434 20 0 BCADHN CN1CCC[C@H]1CNC(=O)Nc1cnsn1 ZINC000839113194 585091896 /nfs/dbraw/zinc/09/18/96/585091896.db2.gz QVFWYVCRLSCXAW-ZETCQYMHSA-N 0 3 241.320 0.754 20 0 BCADHN CC(C)C(=O)CCN1CCC[C@](O)(CO)C1 ZINC000839147267 585092356 /nfs/dbraw/zinc/09/23/56/585092356.db2.gz GWHMVWMEKNVWJP-GFCCVEGCSA-N 0 3 229.320 0.421 20 0 BCADHN OC1([C@H]2CCCCN2CC2OCCO2)CC1 ZINC000839143135 585094887 /nfs/dbraw/zinc/09/48/87/585094887.db2.gz MVWQSERWFNWDFR-SNVBAGLBSA-N 0 3 227.304 0.739 20 0 BCADHN CO[C@H]1C[C@@H](NCC2OCCO2)C12CCC2 ZINC000839188821 585097111 /nfs/dbraw/zinc/09/71/11/585097111.db2.gz IVKXBAUOEXOACD-ZJUUUORDSA-N 0 3 227.304 0.907 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1nccn1C ZINC000741262573 585112195 /nfs/dbraw/zinc/11/21/95/585112195.db2.gz XLWOXACQIRSCLD-UHFFFAOYSA-N 0 3 236.319 0.588 20 0 BCADHN CNC(=S)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000741493631 585114884 /nfs/dbraw/zinc/11/48/84/585114884.db2.gz SPNSVOYRIIRTKP-RKDXNWHRSA-N 0 3 215.366 0.905 20 0 BCADHN CN1CCN(C[C@@H]2C[C@@]23CCOC3)CCC1=O ZINC000886279226 585117018 /nfs/dbraw/zinc/11/70/18/585117018.db2.gz SWWWUKKRBSRRPG-WCQYABFASA-N 0 3 238.331 0.577 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C2=COCC2)CCN1C ZINC000741723432 585117333 /nfs/dbraw/zinc/11/73/33/585117333.db2.gz FQMMAZLNOAEBPA-GXSJLCMTSA-N 0 3 224.304 0.890 20 0 BCADHN C[C@@H]1CCCN(CCS(N)(=O)=O)[C@@H]1C ZINC000741790288 585119019 /nfs/dbraw/zinc/11/90/19/585119019.db2.gz GAMJFCLMSYNNGS-RKDXNWHRSA-N 0 3 220.338 0.395 20 0 BCADHN CNC(=S)N1CC[C@H](N2CC=CC2)C1 ZINC000741867208 585120436 /nfs/dbraw/zinc/12/04/36/585120436.db2.gz PQXFOGCMCCLHOE-VIFPVBQESA-N 0 3 211.334 0.437 20 0 BCADHN S=C(NC1CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000741865773 585120493 /nfs/dbraw/zinc/12/04/93/585120493.db2.gz GVDHCUNJQUAAST-LLVKDONJSA-N 0 3 237.372 0.969 20 0 BCADHN O=C1CCCN1CN1CC[C@@H](N2CC=CC2)C1 ZINC000742162291 585122367 /nfs/dbraw/zinc/12/23/67/585122367.db2.gz WWYXIJRJMFSVSC-GFCCVEGCSA-N 0 3 235.331 0.512 20 0 BCADHN O=C1CCCN1CN1CC[C@H](N2CC=CC2)C1 ZINC000742162292 585122546 /nfs/dbraw/zinc/12/25/46/585122546.db2.gz WWYXIJRJMFSVSC-LBPRGKRZSA-N 0 3 235.331 0.512 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1cccc[n+]1[O-] ZINC000742242020 585124130 /nfs/dbraw/zinc/12/41/30/585124130.db2.gz RMKWYZCFWBQMJV-NSHDSACASA-N 0 3 249.314 0.534 20 0 BCADHN C[C@H]1COCCN(C[C@H](O)CC2(O)CCC2)C1 ZINC000859207006 589018920 /nfs/dbraw/zinc/01/89/20/589018920.db2.gz KOQMDONZRIQDKK-VXGBXAGGSA-N 0 3 243.347 0.621 20 0 BCADHN C[C@@H](CCO)CNC(=S)NCCN(C)C ZINC000743029479 585133346 /nfs/dbraw/zinc/13/33/46/585133346.db2.gz IMOGZGNIHVRULR-VIFPVBQESA-N 0 3 233.381 0.031 20 0 BCADHN COCCOC[C@H](C)N[C@@H]1CCCCNC1=O ZINC000743479184 585137391 /nfs/dbraw/zinc/13/73/91/585137391.db2.gz CYKRXILHJYCJFD-WDEREUQCSA-N 0 3 244.335 0.296 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1nccn1C ZINC000743813070 585139786 /nfs/dbraw/zinc/13/97/86/585139786.db2.gz ILLGUEOKDZNTGS-SNVBAGLBSA-N 0 3 236.319 0.634 20 0 BCADHN O=C1CN(CCCCCCCO)CCCN1 ZINC000743844717 585140384 /nfs/dbraw/zinc/14/03/84/585140384.db2.gz VDBKXHOXGGYCTC-UHFFFAOYSA-N 0 3 228.336 0.751 20 0 BCADHN C[C@H]1COCCN(CCc2cn(C)nn2)C1 ZINC000859207515 589019136 /nfs/dbraw/zinc/01/91/36/589019136.db2.gz RLMWFHDLRKFALY-SNVBAGLBSA-N 0 3 224.308 0.326 20 0 BCADHN CC1(CN2CCC3(C2)OCCO3)COC1 ZINC000744398760 585150080 /nfs/dbraw/zinc/15/00/80/585150080.db2.gz PNVNCRGWYOVWFX-UHFFFAOYSA-N 0 3 213.277 0.472 20 0 BCADHN COCCNC(=S)NCCN1CC[C@@H](C)C1 ZINC000745180766 585157563 /nfs/dbraw/zinc/15/75/63/585157563.db2.gz KLELJEMDJSIFCF-SNVBAGLBSA-N 0 3 245.392 0.439 20 0 BCADHN CCNC(=S)NCCN1CC[C@@H](C)C1 ZINC000745180484 585157696 /nfs/dbraw/zinc/15/76/96/585157696.db2.gz DEPKHUZAIOQDMP-SECBINFHSA-N 0 3 215.366 0.812 20 0 BCADHN C[C@H]1CN(CCOC2CCOCC2)CCN1C ZINC000859216476 589019817 /nfs/dbraw/zinc/01/98/17/589019817.db2.gz KHJSISUIVYLLPL-LBPRGKRZSA-N 0 3 242.363 0.818 20 0 BCADHN O=C(CN1CC[C@@H]([C@H]2CCCO2)C1)N1CCC1 ZINC000886834985 585182123 /nfs/dbraw/zinc/18/21/23/585182123.db2.gz GKIQUTAPGBWKAJ-VXGBXAGGSA-N 0 3 238.331 0.720 20 0 BCADHN CNC(=S)N(CCN(C)C)C[C@H]1CCCO1 ZINC000748151824 585188343 /nfs/dbraw/zinc/18/83/43/585188343.db2.gz QBNPQLOWFRWFIO-SNVBAGLBSA-N 0 3 245.392 0.533 20 0 BCADHN CO[C@H](C)C(=O)N1CCC12CCN(C)CC2 ZINC000748326003 585190550 /nfs/dbraw/zinc/19/05/50/585190550.db2.gz MUFCVZFDKZYXIY-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN COC(=O)/C(C)=C\CN(C)C[C@H](C)C(=O)OC ZINC000748817413 585196850 /nfs/dbraw/zinc/19/68/50/585196850.db2.gz NTAKRPIHRJAALA-MBACFSSFSA-N 0 3 243.303 0.847 20 0 BCADHN COC[C@H](C)N1CCN(CCCCO)CC1 ZINC000749152179 585199845 /nfs/dbraw/zinc/19/98/45/585199845.db2.gz BOTYIJNPISXZRT-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN CN1CC[C@@H](NC(=S)NC[C@@H]2CCOC2)C1 ZINC000749684914 585205145 /nfs/dbraw/zinc/20/51/45/585205145.db2.gz UVICZXKKKLUIFO-VHSXEESVSA-N 0 3 243.376 0.191 20 0 BCADHN CN1CC[C@H](NC(=S)NC[C@@H]2CCOC2)C1 ZINC000749684912 585205150 /nfs/dbraw/zinc/20/51/50/585205150.db2.gz UVICZXKKKLUIFO-UWVGGRQHSA-N 0 3 243.376 0.191 20 0 BCADHN O=C1CCCN1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000749801705 585206367 /nfs/dbraw/zinc/20/63/67/585206367.db2.gz VFYYXJCYWRBXDK-NWDGAFQWSA-N 0 3 238.331 0.925 20 0 BCADHN CN(C)CCNC(=S)N(C)C[C@@H]1CCOC1 ZINC000749827374 585207137 /nfs/dbraw/zinc/20/71/37/585207137.db2.gz IEVQCZKUENOBJM-JTQLQIEISA-N 0 3 245.392 0.391 20 0 BCADHN CC(C)[C@@H](CO)NC(=S)NCCN(C)C ZINC000749896756 585207988 /nfs/dbraw/zinc/20/79/88/585207988.db2.gz HXRQSDNMFFSYSP-SECBINFHSA-N 0 3 233.381 0.029 20 0 BCADHN CC(C)NC(=O)CCNC1(C(N)=O)CCCC1 ZINC000750048969 585209483 /nfs/dbraw/zinc/20/94/83/585209483.db2.gz QBRKPYDFHQKKRP-UHFFFAOYSA-N 0 3 241.335 0.289 20 0 BCADHN O=C1CN(CCCCCCO)CCCN1 ZINC000750177956 585211892 /nfs/dbraw/zinc/21/18/92/585211892.db2.gz FYARZWIPPGZZGD-UHFFFAOYSA-N 0 3 214.309 0.361 20 0 BCADHN C[C@@H](O)CN1CCN(CCCCCCO)CC1 ZINC000750180944 585211970 /nfs/dbraw/zinc/21/19/70/585211970.db2.gz WIQCOYGVDRWCGB-CYBMUJFWSA-N 0 3 244.379 0.538 20 0 BCADHN C[C@H](CNC(=O)[C@H](C)N(C)C)N1CCCCC1 ZINC000750610202 585217884 /nfs/dbraw/zinc/21/78/84/585217884.db2.gz NBRFRCNZYKNRDR-NEPJUHHUSA-N 0 3 241.379 0.927 20 0 BCADHN Cc1n[nH]nc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000789990008 585219923 /nfs/dbraw/zinc/21/99/23/585219923.db2.gz KDFIQVFVXIJUDI-ZJUUUORDSA-N 0 3 249.318 0.422 20 0 BCADHN C[C@@H](CNC(=S)NCC(F)(F)F)N(C)C ZINC000750988456 585223227 /nfs/dbraw/zinc/22/32/27/585223227.db2.gz OPNXGGQPSDHBKG-LURJTMIESA-N 0 3 243.298 0.963 20 0 BCADHN CC[C@@](C)(CC(=O)OC)NCc1cnnn1C ZINC000751146320 585224717 /nfs/dbraw/zinc/22/47/17/585224717.db2.gz DBUICYWTOVSLRN-NSHDSACASA-N 0 3 240.307 0.637 20 0 BCADHN C/C=C(\C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000751192174 585225459 /nfs/dbraw/zinc/22/54/59/585225459.db2.gz DURGFCXBINRNKK-WHKYXBHASA-N 0 3 238.331 0.932 20 0 BCADHN C/C=C(/C)C(=O)N1CCN(CCN(C)C)CC1 ZINC000751309021 585226599 /nfs/dbraw/zinc/22/65/99/585226599.db2.gz MAYKKFXFDYVQLM-XGICHPGQSA-N 0 3 239.363 0.658 20 0 BCADHN COC[C@@H]1CCCN1C(=S)NCCN(C)C ZINC000751908092 585239046 /nfs/dbraw/zinc/23/90/46/585239046.db2.gz PTGSYYZYQCIKGR-JTQLQIEISA-N 0 3 245.392 0.533 20 0 BCADHN C[C@H](N(C)CCS(N)(=O)=O)C1(C)CC1 ZINC000752355424 585245010 /nfs/dbraw/zinc/24/50/10/585245010.db2.gz AYQXNMVXVLBORG-QMMMGPOBSA-N 0 3 220.338 0.395 20 0 BCADHN O[C@H](CN1CC[C@H]2C[C@H]21)CC1(O)CCC1 ZINC000859217220 589020337 /nfs/dbraw/zinc/02/03/37/589020337.db2.gz PVCJABSUEHYGRI-GARJFASQSA-N 0 3 211.305 0.747 20 0 BCADHN CCC/C=C/C(=O)NC[C@@](C)(O)CN(C)C ZINC000752482291 585246813 /nfs/dbraw/zinc/24/68/13/585246813.db2.gz GUXHXRXZHZDELK-ABZNLYFFSA-N 0 3 228.336 0.772 20 0 BCADHN CSCCNC(=S)N[C@H]1CCN(C)C1 ZINC000752743102 585249452 /nfs/dbraw/zinc/24/94/52/585249452.db2.gz NQXYLMYKXDVPQH-QMMMGPOBSA-N 0 3 233.406 0.518 20 0 BCADHN CS[C@H](C)CNC(=S)NCCN(C)C ZINC000752769999 585249866 /nfs/dbraw/zinc/24/98/66/585249866.db2.gz LLCXCHUZJMUUPX-MRVPVSSYSA-N 0 3 235.422 0.764 20 0 BCADHN CS[C@@H](C)CNC(=S)NCCN(C)C ZINC000752770000 585250011 /nfs/dbraw/zinc/25/00/11/585250011.db2.gz LLCXCHUZJMUUPX-QMMMGPOBSA-N 0 3 235.422 0.764 20 0 BCADHN CON(C)C(=O)NC1CCN(C)CC1 ZINC000753340760 585257041 /nfs/dbraw/zinc/25/70/41/585257041.db2.gz ZUAGSQLQEXWFCI-UHFFFAOYSA-N 0 3 201.270 0.283 20 0 BCADHN CCON(C)C(=O)NC[C@H]1CCCN1C ZINC000753407148 585258411 /nfs/dbraw/zinc/25/84/11/585258411.db2.gz RTMJFUATRBZLIG-SECBINFHSA-N 0 3 215.297 0.674 20 0 BCADHN COCCCO[N-]C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000805045320 585265747 /nfs/dbraw/zinc/26/57/47/585265747.db2.gz ODDJROFIWDVFLJ-QWRGUYRKSA-N 0 3 244.335 0.801 20 0 BCADHN COCCCO[N-]C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000805045320 585265748 /nfs/dbraw/zinc/26/57/48/585265748.db2.gz ODDJROFIWDVFLJ-QWRGUYRKSA-N 0 3 244.335 0.801 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2ncccn2)CN1C1CC1 ZINC000753702484 585266510 /nfs/dbraw/zinc/26/65/10/585266510.db2.gz AINSKRWSJLGUGP-VHSXEESVSA-N 0 3 246.314 0.832 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2ncccn2)CN1C1CC1 ZINC000753702483 585266758 /nfs/dbraw/zinc/26/67/58/585266758.db2.gz AINSKRWSJLGUGP-UWVGGRQHSA-N 0 3 246.314 0.832 20 0 BCADHN CCONC(=O)NC[C@H]1CCCN1C ZINC000753802535 585269243 /nfs/dbraw/zinc/26/92/43/585269243.db2.gz ORSRUUIUIGRHDE-MRVPVSSYSA-N 0 3 201.270 0.331 20 0 BCADHN CCONC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000753804056 585269561 /nfs/dbraw/zinc/26/95/61/585269561.db2.gz YHFVYGILGYQCFU-JTQLQIEISA-N 0 3 247.364 0.674 20 0 BCADHN CCONC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000753804058 585269645 /nfs/dbraw/zinc/26/96/45/585269645.db2.gz YHFVYGILGYQCFU-SNVBAGLBSA-N 0 3 247.364 0.674 20 0 BCADHN CO[C@@H]1CN(CCC(=O)C2CC2)C[C@@H]1OC ZINC000753808323 585269790 /nfs/dbraw/zinc/26/97/90/585269790.db2.gz PZESQOWKFAMWDQ-TXEJJXNPSA-N 0 3 227.304 0.701 20 0 BCADHN NC(=O)C1(NCC[C@@H]2CCOC2=O)CCCC1 ZINC000753847704 585271053 /nfs/dbraw/zinc/27/10/53/585271053.db2.gz BTAPKHIXKSBGMJ-SECBINFHSA-N 0 3 240.303 0.327 20 0 BCADHN CN1CCC(CC(=O)NC2=NCCS2)CC1 ZINC000753990226 585274473 /nfs/dbraw/zinc/27/44/73/585274473.db2.gz RNKLMOQWIWRNGX-UHFFFAOYSA-N 0 3 241.360 0.937 20 0 BCADHN C[C@H]1CN(Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC000754097505 585278332 /nfs/dbraw/zinc/27/83/32/585278332.db2.gz OTTQPFYLMIGWGP-CMPLNLGQSA-N 0 3 235.331 0.960 20 0 BCADHN COCCN(CCOC)CCN1CCCC1 ZINC000754258463 585281389 /nfs/dbraw/zinc/28/13/89/585281389.db2.gz AKNCKDNYRUDENL-UHFFFAOYSA-N 0 3 230.352 0.677 20 0 BCADHN CN(C)CCN(C)C(=O)/C=C/c1cnn(C)c1 ZINC000754356495 585283020 /nfs/dbraw/zinc/28/30/20/585283020.db2.gz VWOAHMIQFPCJMV-AATRIKPKSA-N 0 3 236.319 0.453 20 0 BCADHN C[C@@H]1COCCN(Cc2ccn(C)c(=O)c2)C1 ZINC000754385633 585283808 /nfs/dbraw/zinc/28/38/08/585283808.db2.gz MXHKAUCBYWJARE-NSHDSACASA-N 0 3 236.315 0.854 20 0 BCADHN COC(=O)C[C@H](N[C@H]1CCN(C)C1=O)C1CC1 ZINC000754536696 585285621 /nfs/dbraw/zinc/28/56/21/585285621.db2.gz CUHKYVTZHMLYFE-UWVGGRQHSA-N 0 3 240.303 0.148 20 0 BCADHN C[C@H](O)[C@H](C)Sc1nnnn1CCN(C)C ZINC000755047520 585293986 /nfs/dbraw/zinc/29/39/86/585293986.db2.gz ZXEDOTJRIWPVDG-YUMQZZPRSA-N 0 3 245.352 0.096 20 0 BCADHN COCCN1CC[C@H](NC(=O)C=C2CCC2)C1 ZINC000755345126 585297868 /nfs/dbraw/zinc/29/78/68/585297868.db2.gz NMRKUCWNPISAQX-LBPRGKRZSA-N 0 3 238.331 0.934 20 0 BCADHN CCC1(C(=O)N(C)[C@@H]2CCCN(C)C2)COC1 ZINC000755341133 585298006 /nfs/dbraw/zinc/29/80/06/585298006.db2.gz DGCRIIXEFPZJKW-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@H](CCO)NC(=O)C1(N(C)C)CCC1 ZINC000755988505 585311738 /nfs/dbraw/zinc/31/17/38/585311738.db2.gz AVJLZBPNSFQDQG-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@@H](CCO)NC(=O)C1(N(C)C)CCC1 ZINC000755988502 585311855 /nfs/dbraw/zinc/31/18/55/585311855.db2.gz AVJLZBPNSFQDQG-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CCOC(=O)CCN1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000756010361 585312843 /nfs/dbraw/zinc/31/28/43/585312843.db2.gz ZPCGBSVNEXVMHB-UWVGGRQHSA-N 0 3 243.303 0.681 20 0 BCADHN CO[C@H](C)CC(=O)N1CCC[C@@H]1CN(C)C ZINC000756932759 585325277 /nfs/dbraw/zinc/32/52/77/585325277.db2.gz FVQMAGAYISJFEZ-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)C1=COCC1 ZINC000756933239 585325392 /nfs/dbraw/zinc/32/53/92/585325392.db2.gz MSGOASNZMPSREB-LLVKDONJSA-N 0 3 224.304 0.843 20 0 BCADHN CCN(CC(=O)NC)C(=O)[C@H](C(C)C)N(C)C ZINC000756992285 585326306 /nfs/dbraw/zinc/32/63/06/585326306.db2.gz LXGZRWATNRROIO-NSHDSACASA-N 0 3 243.351 0.167 20 0 BCADHN CC[C@@H](NCCS(=O)(=O)CC)[C@H]1CCCO1 ZINC000839551570 585329464 /nfs/dbraw/zinc/32/94/64/585329464.db2.gz LENUVAJHUXEGGH-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN CCCCCNC(=O)CN[C@H](CO)C1CC1 ZINC000839555778 585329657 /nfs/dbraw/zinc/32/96/57/585329657.db2.gz LLRHWOLEAWJQHE-LLVKDONJSA-N 0 3 228.336 0.653 20 0 BCADHN COC1([C@H](C)NCC2OCCO2)CCC1 ZINC000839661154 585334174 /nfs/dbraw/zinc/33/41/74/585334174.db2.gz SUIJWTUZMNWCRM-VIFPVBQESA-N 0 3 215.293 0.907 20 0 BCADHN CON(C)C(=O)CN[C@H](C)C1(OC)CCC1 ZINC000839661227 585334340 /nfs/dbraw/zinc/33/43/40/585334340.db2.gz UKGQFYSRDAKWDU-SECBINFHSA-N 0 3 230.308 0.553 20 0 BCADHN COC(=O)[C@]1(C)CCCN(CC[S@](C)=O)C1 ZINC000839665546 585334593 /nfs/dbraw/zinc/33/45/93/585334593.db2.gz IBEZPIGDSNDXOA-BZNIZROVSA-N 0 3 247.360 0.640 20 0 BCADHN CC(=O)OCCNC(=O)[C@@H](C(C)C)N(C)C ZINC000839749406 585340438 /nfs/dbraw/zinc/34/04/38/585340438.db2.gz FYASAISBHOZKMM-SNVBAGLBSA-N 0 3 230.308 0.252 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H]1C[C@H](C)OC1=O)N(C)C ZINC000839772170 585340870 /nfs/dbraw/zinc/34/08/70/585340870.db2.gz VLBKTKVPPPWMLT-AEJSXWLSSA-N 0 3 242.319 0.393 20 0 BCADHN CNC(=S)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000757545613 585341054 /nfs/dbraw/zinc/34/10/54/585341054.db2.gz VIRSDOSKWRYILD-IONNQARKSA-N 0 3 213.350 0.563 20 0 BCADHN CCNC(=S)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000757543838 585341113 /nfs/dbraw/zinc/34/11/13/585341113.db2.gz PMNOUEAPAZSCNE-PSASIEDQSA-N 0 3 227.377 0.953 20 0 BCADHN COC(C)(C)CN(C)C(=S)NCCN(C)C ZINC000758441954 585356128 /nfs/dbraw/zinc/35/61/28/585356128.db2.gz STIGTOUUBGZSQV-UHFFFAOYSA-N 0 3 247.408 0.779 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2cnco2)C1 ZINC000759231318 585366116 /nfs/dbraw/zinc/36/61/16/585366116.db2.gz LSADTGPYPVUVBL-SECBINFHSA-N 0 3 223.276 0.746 20 0 BCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(CCF)C1 ZINC000759330055 585367836 /nfs/dbraw/zinc/36/78/36/585367836.db2.gz ATLSHJBXVUOVMD-GHMZBOCLSA-N 0 3 246.326 0.819 20 0 BCADHN COC(=O)/C(C)=C/CN(C)C1CC(O)C1 ZINC000759874212 585381889 /nfs/dbraw/zinc/38/18/89/585381889.db2.gz XYAPIMOSDDMWCW-XBXARRHUSA-N 0 3 213.277 0.561 20 0 BCADHN CC(C(=O)N[C@@H](C)c1ccc[nH]1)S(C)(=O)=O ZINC000760731981 585396529 /nfs/dbraw/zinc/39/65/29/585396529.db2.gz QCPLZKVEQSZENM-YUMQZZPRSA-N 0 3 244.316 0.625 20 0 BCADHN CC(C)[C@@H]1C(=O)NCCN1CCN1CCCC1 ZINC000760835158 585398576 /nfs/dbraw/zinc/39/85/76/585398576.db2.gz XCPWTUMYXODRDT-GFCCVEGCSA-N 0 3 239.363 0.539 20 0 BCADHN CN1CCN(CCN2CCCC2)C(C)(C)C1=O ZINC000760842943 585399195 /nfs/dbraw/zinc/39/91/95/585399195.db2.gz FWGRVQPYZAEVRN-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CCN(C)C(=O)CN[C@](C)(CC)CC(=O)OC ZINC000760903235 585401770 /nfs/dbraw/zinc/40/17/70/585401770.db2.gz IIZBRGHPCWVBGE-GFCCVEGCSA-N 0 3 244.335 0.786 20 0 BCADHN OCCCCCN1CCN(CCCO)CC1 ZINC000761024562 585403763 /nfs/dbraw/zinc/40/37/63/585403763.db2.gz BQDHLHIEAGLYOS-UHFFFAOYSA-N 0 3 230.352 0.149 20 0 BCADHN C[C@H]1CC(=O)NCCN1CCCCCCO ZINC000761057194 585404595 /nfs/dbraw/zinc/40/45/95/585404595.db2.gz QYBXTCXYDSZPGG-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN CN(C)CCNC(=S)NC1CC(F)(F)C1 ZINC000761521855 585416583 /nfs/dbraw/zinc/41/65/83/585416583.db2.gz DPMODKYMGSEPIX-UHFFFAOYSA-N 0 3 237.319 0.810 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CC(C)(C)OC1=O ZINC000762041516 585424821 /nfs/dbraw/zinc/42/48/21/585424821.db2.gz TTXYCLBPVXGDIW-SECBINFHSA-N 0 3 242.319 0.539 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CC(C)(C)OC1=O)N(C)C ZINC000762036175 585425010 /nfs/dbraw/zinc/42/50/10/585425010.db2.gz CQEIFQVOPLAYBL-IUCAKERBSA-N 0 3 242.319 0.537 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1ccnnc1 ZINC000762208688 585429078 /nfs/dbraw/zinc/42/90/78/585429078.db2.gz RCWBRXVCBHBHHB-JTQLQIEISA-N 0 3 234.303 0.691 20 0 BCADHN C[C@H](NC(=O)NCCN(C)C)c1ccc[nH]1 ZINC000762423721 585432058 /nfs/dbraw/zinc/43/20/58/585432058.db2.gz JEOHFJKGJQKUAK-VIFPVBQESA-N 0 3 224.308 0.937 20 0 BCADHN Cc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)nc1 ZINC000762714008 585435811 /nfs/dbraw/zinc/43/58/11/585435811.db2.gz BAFQFCRAVGFSMG-ZDUSSCGKSA-N 0 3 249.314 0.186 20 0 BCADHN CCC/C(C)=C/C(=O)NC[C@]1(O)CCN(C)C1 ZINC000762723302 585436340 /nfs/dbraw/zinc/43/63/40/585436340.db2.gz SGTLIKYTASESMB-RUNBWSAHSA-N 0 3 240.347 0.916 20 0 BCADHN CC/C(C)=C(/C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000762726030 585436452 /nfs/dbraw/zinc/43/64/52/585436452.db2.gz ZZFPDOJYJUBTKY-OEYXZAGESA-N 0 3 240.347 0.916 20 0 BCADHN CC/C(C)=C(\C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000762726024 585436549 /nfs/dbraw/zinc/43/65/49/585436549.db2.gz ZZFPDOJYJUBTKY-NHAQELONSA-N 0 3 240.347 0.916 20 0 BCADHN CC/C(C)=C(\C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000762726027 585436596 /nfs/dbraw/zinc/43/65/96/585436596.db2.gz ZZFPDOJYJUBTKY-OCHBPSSRSA-N 0 3 240.347 0.916 20 0 BCADHN CN(C)C1(C(=O)NCc2cc[nH]n2)CCC1 ZINC000762975733 585440567 /nfs/dbraw/zinc/44/05/67/585440567.db2.gz XOUOMBUKYRIDDC-UHFFFAOYSA-N 0 3 222.292 0.510 20 0 BCADHN CN(C)C1(C(=O)NCc2ccnn2C)CCC1 ZINC000763026259 585441693 /nfs/dbraw/zinc/44/16/93/585441693.db2.gz XXILYZLVBZUCCN-UHFFFAOYSA-N 0 3 236.319 0.521 20 0 BCADHN CNC(=O)CCCNC(=O)C1(N(C)C)CCC1 ZINC000763045695 585442462 /nfs/dbraw/zinc/44/24/62/585442462.db2.gz WQFIPCMBJBAVPA-UHFFFAOYSA-N 0 3 241.335 0.113 20 0 BCADHN C[C@@H]1CCCN(C(=O)CN[C@@H](CO)C2CC2)C1 ZINC000763071362 585442656 /nfs/dbraw/zinc/44/26/56/585442656.db2.gz RQUVKPGUKYHLAA-PWSUYJOCSA-N 0 3 240.347 0.605 20 0 BCADHN Cc1cc(NC(=O)CN[C@@H](CO)C2CC2)on1 ZINC000763074852 585442939 /nfs/dbraw/zinc/44/29/39/585442939.db2.gz YZFOUFJTLCAINQ-VIFPVBQESA-N 0 3 239.275 0.282 20 0 BCADHN CN(C)C1(C(=O)N2CCC(C)(O)CC2)CCC1 ZINC000763075284 585443028 /nfs/dbraw/zinc/44/30/28/585443028.db2.gz RMTVWKQBDDYENO-UHFFFAOYSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](N[C@H](CO)C1CC1)C(=O)NC1CCCC1 ZINC000763075073 585443085 /nfs/dbraw/zinc/44/30/85/585443085.db2.gz ZZEVHMOBGGTAOV-JOYOIKCWSA-N 0 3 240.347 0.794 20 0 BCADHN O=C1O[C@H](CN2CCC[C@@H](O)C2)CC12CC2 ZINC000763659533 585451451 /nfs/dbraw/zinc/45/14/51/585451451.db2.gz HUFZCHMEELOSPB-ZJUUUORDSA-N 0 3 225.288 0.539 20 0 BCADHN C[C@@H](O)CN(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763687981 585452499 /nfs/dbraw/zinc/45/24/99/585452499.db2.gz RISCFRVFTLAEEU-BDAKNGLRSA-N 0 3 213.277 0.395 20 0 BCADHN CC[C@@H]1CN(C[C@H]2CC3(CC3)C(=O)O2)C[C@@H]1O ZINC000763741854 585453468 /nfs/dbraw/zinc/45/34/68/585453468.db2.gz UROPYRGPGAMMJW-MXWKQRLJSA-N 0 3 239.315 0.785 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CC3(CC3)C(=O)O2)C[C@@H]1O ZINC000763743012 585453642 /nfs/dbraw/zinc/45/36/42/585453642.db2.gz WRQGDBLPXZBSDV-UTLUCORTSA-N 0 3 225.288 0.395 20 0 BCADHN C[C@@H]1CN(C[C@H]2CC3(CC3)C(=O)O2)C[C@H]1O ZINC000763742028 585453778 /nfs/dbraw/zinc/45/37/78/585453778.db2.gz WRQGDBLPXZBSDV-OPRDCNLKSA-N 0 3 225.288 0.395 20 0 BCADHN CC[C@H](NC(=O)CN(C)C(C)C)C(OC)OC ZINC000763778785 585454157 /nfs/dbraw/zinc/45/41/57/585454157.db2.gz IVTINIHOWZOHKU-JTQLQIEISA-N 0 3 246.351 0.840 20 0 BCADHN CN(CC[C@@H]1CCOC1=O)[C@@]1(CO)CCOC1 ZINC000763882571 585456306 /nfs/dbraw/zinc/45/63/06/585456306.db2.gz VGYLTGFAMOHPCT-ZYHUDNBSSA-N 0 3 243.303 0.023 20 0 BCADHN CCN(CC(=O)N1CCN(C)[C@@H](C)C1)C1CC1 ZINC000764402409 585465174 /nfs/dbraw/zinc/46/51/74/585465174.db2.gz LZLXOIVFEYFAGW-NSHDSACASA-N 0 3 239.363 0.633 20 0 BCADHN C[C@H]1OCCN(C(=S)NCCN(C)C)[C@H]1C ZINC000764491642 585466768 /nfs/dbraw/zinc/46/67/68/585466768.db2.gz VKIDBVILFLLDGG-VHSXEESVSA-N 0 3 245.392 0.532 20 0 BCADHN CN(C(=O)[C@H](O)C(C)(C)C)C1CCN(C)CC1 ZINC000764584965 585468124 /nfs/dbraw/zinc/46/81/24/585468124.db2.gz QSMTVIHVSDKYPP-NSHDSACASA-N 0 3 242.363 0.946 20 0 BCADHN CN(C)CCN(C)C(=O)C(=O)OC(C)(C)C ZINC000764873568 585476690 /nfs/dbraw/zinc/47/66/90/585476690.db2.gz JRXIFGFVUCLTKG-UHFFFAOYSA-N 0 3 230.308 0.348 20 0 BCADHN CCN1CCCN(C(=O)[C@@H](O)C(C)(C)C)CC1 ZINC000765016844 585479583 /nfs/dbraw/zinc/47/95/83/585479583.db2.gz YSXBNYKVLKLFRP-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)[C@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC000805311558 585492193 /nfs/dbraw/zinc/49/21/93/585492193.db2.gz XOTDMRDBNZTSEN-NSHDSACASA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)C1(N(C)C)CCC1 ZINC000765849956 585493352 /nfs/dbraw/zinc/49/33/52/585493352.db2.gz HCUZSFNFLLFJDL-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN CCN(CC)CCOC(=O)Cn1cccn1 ZINC000766037491 585496765 /nfs/dbraw/zinc/49/67/65/585496765.db2.gz GGWGGQCJEYPVMY-UHFFFAOYSA-N 0 3 225.292 0.768 20 0 BCADHN CCOCC[C@@H](O)CN1CCN(C)[C@@H](C)C1 ZINC000766050521 585496899 /nfs/dbraw/zinc/49/68/99/585496899.db2.gz DLEUKZCQNOFEGB-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN C[C@@H]1CO[C@@H](CO)CN1C[Si](C)(C)C ZINC000766094938 585497475 /nfs/dbraw/zinc/49/74/75/585497475.db2.gz PGCMQMTZRBOHEJ-NXEZZACHSA-N 0 3 217.385 0.945 20 0 BCADHN C[C@H](NC[C@H](O)c1cnn(C)c1)c1cnn(C)c1 ZINC000766181684 585498737 /nfs/dbraw/zinc/49/87/37/585498737.db2.gz DGAKQKWLZJNATJ-CABZTGNLSA-N 0 3 249.318 0.538 20 0 BCADHN CCOC(=O)N1CCCN(C[C@@H](C)CO)CC1 ZINC000766896152 585509991 /nfs/dbraw/zinc/50/99/91/585509991.db2.gz QLKDXRITQLYLPK-LLVKDONJSA-N 0 3 244.335 0.779 20 0 BCADHN CN1CCN(CC[C@H]2CCOC2=O)C(C)(C)C1 ZINC000766997652 585512402 /nfs/dbraw/zinc/51/24/02/585512402.db2.gz APVLANVRJOWTFN-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](O)C[C@@H]1COCCN1CCN1CCCC1 ZINC000767029635 585512918 /nfs/dbraw/zinc/51/29/18/585512918.db2.gz KHBMPFSLYJGJCJ-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN NC(=O)[C@H]1CCCN1C1CCN(CCF)CC1 ZINC000767464019 585520680 /nfs/dbraw/zinc/52/06/80/585520680.db2.gz ZTRZXGPJRVRRIU-LLVKDONJSA-N 0 3 243.326 0.370 20 0 BCADHN C(CN1CCOCC2(CC2)C1)C1OCCO1 ZINC000767823020 585526707 /nfs/dbraw/zinc/52/67/07/585526707.db2.gz KLMMQMVKKATPEH-UHFFFAOYSA-N 0 3 227.304 0.862 20 0 BCADHN CC(C)C[C@H](CO)NC(=O)C1(N(C)C)CCC1 ZINC000767859927 585526881 /nfs/dbraw/zinc/52/68/81/585526881.db2.gz OCPNZCYAMGEXRV-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1nn(C)c(C)c1CN1C[C@H](O)[C@@H](C)C1 ZINC000768764937 585542369 /nfs/dbraw/zinc/54/23/69/585542369.db2.gz BPIBYUQDQHJWGX-UFBFGSQYSA-N 0 3 223.320 0.850 20 0 BCADHN C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1O ZINC000769129311 585549483 /nfs/dbraw/zinc/54/94/83/585549483.db2.gz RRNAJFCNJGIZEQ-VHSXEESVSA-N 0 3 226.320 0.310 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)CC2COC2)C1 ZINC000769700882 585562106 /nfs/dbraw/zinc/56/21/06/585562106.db2.gz JHXHYMOOKXVJCG-NSHDSACASA-N 0 3 226.320 0.576 20 0 BCADHN CCC[C@]1(CO)CCCN1CC(=O)N(C)OC ZINC000769912841 585566379 /nfs/dbraw/zinc/56/63/79/585566379.db2.gz IJJQMCZDIUYXNH-GFCCVEGCSA-N 0 3 244.335 0.633 20 0 BCADHN CC[C@H](O)CN[C@@]1(CC(=O)OC)CCCOC1 ZINC000770702325 585580208 /nfs/dbraw/zinc/58/02/08/585580208.db2.gz XYRGUSYCCXOXOM-CMPLNLGQSA-N 0 3 245.319 0.459 20 0 BCADHN COC(=O)C[C@]1(NC[C@@H](C)OC)CCCOC1 ZINC000770704047 585580260 /nfs/dbraw/zinc/58/02/60/585580260.db2.gz VTZNAAOYYSRIOU-ZYHUDNBSSA-N 0 3 245.319 0.723 20 0 BCADHN CC[C@@H](O)CN[C@@]1(CC(=O)OC)CCCOC1 ZINC000770702330 585580325 /nfs/dbraw/zinc/58/03/25/585580325.db2.gz XYRGUSYCCXOXOM-ZYHUDNBSSA-N 0 3 245.319 0.459 20 0 BCADHN CN(C)C1(C(=O)N[C@@H](CO)CC2CC2)CCC1 ZINC000770986059 585586273 /nfs/dbraw/zinc/58/62/73/585586273.db2.gz MAYNCEXQTVWGLA-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H]1CCOCCN1C[C@H](O)CC1(O)CCC1 ZINC000859237423 589023622 /nfs/dbraw/zinc/02/36/22/589023622.db2.gz UHWQJHQABDMDPT-NWDGAFQWSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCC=CO1 ZINC000805422700 585591939 /nfs/dbraw/zinc/59/19/39/585591939.db2.gz IJYDIRUEMXYIOJ-VHSXEESVSA-N 0 3 212.293 0.745 20 0 BCADHN C/C=C\C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000771651887 585598434 /nfs/dbraw/zinc/59/84/34/585598434.db2.gz PWLHOUWMFKYUIT-WPPTZLTKSA-N 0 3 226.320 0.526 20 0 BCADHN CC(C)=CC(=O)NC[C@H](O)CN1CCCCC1 ZINC000771653328 585598690 /nfs/dbraw/zinc/59/86/90/585598690.db2.gz RCYCFAZRBLYOTH-LBPRGKRZSA-N 0 3 240.347 0.916 20 0 BCADHN CCc1nc(CN2CCN(C)[C@@H](C)C2)n[nH]1 ZINC000771763134 585600012 /nfs/dbraw/zinc/60/00/12/585600012.db2.gz BLACYGJOTAAHOX-VIFPVBQESA-N 0 3 223.324 0.503 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N[C@@H](CCO)C1CC1 ZINC000771794648 585600189 /nfs/dbraw/zinc/60/01/89/585600189.db2.gz GUWBQGACGPGUJF-JQWIXIFHSA-N 0 3 242.363 0.994 20 0 BCADHN O=C(CN[C@H](CO)C1CC1)NCc1ccccn1 ZINC000771808963 585600743 /nfs/dbraw/zinc/60/07/43/585600743.db2.gz PSTVKUGEOGTTBY-GFCCVEGCSA-N 0 3 249.314 0.058 20 0 BCADHN CN(C)CCNC(=O)C1(F)CCCC1 ZINC000771841814 585602091 /nfs/dbraw/zinc/60/20/91/585602091.db2.gz YAHCBVIPXACEKC-UHFFFAOYSA-N 0 3 202.273 0.947 20 0 BCADHN Cc1nccn1CCOC(=O)CCc1nc[nH]n1 ZINC000771999693 585606594 /nfs/dbraw/zinc/60/65/94/585606594.db2.gz FZXNWVPMBNPZTM-UHFFFAOYSA-N 0 3 249.274 0.486 20 0 BCADHN CCN(CC)CCOC(=O)C(C)(C)NC(C)=O ZINC000772075172 585607996 /nfs/dbraw/zinc/60/79/96/585607996.db2.gz JIJYICNRWPAFML-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN CCC(=O)[C@H](C)OC(=O)C1CCN(C)C1=O ZINC000772518518 585617280 /nfs/dbraw/zinc/61/72/80/585617280.db2.gz LSJBNFMODAQGRP-YUMQZZPRSA-N 0 3 227.260 0.376 20 0 BCADHN Cc1cccnc1COC(=O)C1CCN(C)C1=O ZINC000772522067 585617421 /nfs/dbraw/zinc/61/74/21/585617421.db2.gz UKAAGFVXNBOWBD-SNVBAGLBSA-N 0 3 248.282 0.912 20 0 BCADHN Cc1cc(COC(=O)C2CCN(C)C2=O)on1 ZINC000772523887 585617479 /nfs/dbraw/zinc/61/74/79/585617479.db2.gz XFEQPKAGSZWJLE-VIFPVBQESA-N 0 3 238.243 0.505 20 0 BCADHN Cc1cccnc1COC(=O)C1CCN(C)C1=O ZINC000772522064 585617596 /nfs/dbraw/zinc/61/75/96/585617596.db2.gz UKAAGFVXNBOWBD-JTQLQIEISA-N 0 3 248.282 0.912 20 0 BCADHN Cc1ccncc1COC(=O)C1CCN(C)C1=O ZINC000772532539 585617725 /nfs/dbraw/zinc/61/77/25/585617725.db2.gz QHGJYKBBTCUNCH-LLVKDONJSA-N 0 3 248.282 0.912 20 0 BCADHN CCCN(C)C(=O)N(C)CCN(C)C ZINC000772805824 585624323 /nfs/dbraw/zinc/62/43/23/585624323.db2.gz ISGBUTMUSUIJID-UHFFFAOYSA-N 0 3 201.314 0.942 20 0 BCADHN CO[C@@H](C)C(=N)NOCc1nnc(C)s1 ZINC000773178296 585633158 /nfs/dbraw/zinc/63/31/58/585633158.db2.gz YYLXBPFLWDIGLN-YFKPBYRVSA-N 0 3 230.293 0.880 20 0 BCADHN CCN(CC)CC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000773551839 585640357 /nfs/dbraw/zinc/64/03/57/585640357.db2.gz MDKQLZZULPMYEM-UHFFFAOYSA-N 0 3 243.351 0.470 20 0 BCADHN C[C@@H]1C[C@@H]1COC(=O)C1CCN(C)C1=O ZINC000774027922 585648810 /nfs/dbraw/zinc/64/88/10/585648810.db2.gz QOUBWROUHZDTSB-IWSPIJDZSA-N 0 3 211.261 0.664 20 0 BCADHN CO[C@H](C)CCOC(=O)C1CCN(C)C1=O ZINC000774115830 585650795 /nfs/dbraw/zinc/65/07/95/585650795.db2.gz SOGBJLMYEHZWCW-BDAKNGLRSA-N 0 3 229.276 0.433 20 0 BCADHN COC[C@H](OC(=O)C1CCN(C)C1=O)C(C)C ZINC000774134754 585651299 /nfs/dbraw/zinc/65/12/99/585651299.db2.gz NFABKSATKHGKOE-ZJUUUORDSA-N 0 3 243.303 0.679 20 0 BCADHN COC[C@@H](OC(=O)C1CCN(C)C1=O)C(C)C ZINC000774134751 585651372 /nfs/dbraw/zinc/65/13/72/585651372.db2.gz NFABKSATKHGKOE-NXEZZACHSA-N 0 3 243.303 0.679 20 0 BCADHN CC[C@@H](CCOC)OC(=O)C1CCN(C)C1=O ZINC000774237487 585654818 /nfs/dbraw/zinc/65/48/18/585654818.db2.gz NSHAWGMZWZYBCV-UWVGGRQHSA-N 0 3 243.303 0.823 20 0 BCADHN C[C@@H]1CC[C@H](COC(=O)C2CCN(C)C2=O)O1 ZINC000774257986 585655142 /nfs/dbraw/zinc/65/51/42/585655142.db2.gz RFOWGWWALAOWQH-OPRDCNLKSA-N 0 3 241.287 0.575 20 0 BCADHN COC[C@H](C)COC(=O)C1CCN(C)C1=O ZINC000774488194 585660149 /nfs/dbraw/zinc/66/01/49/585660149.db2.gz MJGCEAUPOBDTDE-DTWKUNHWSA-N 0 3 229.276 0.290 20 0 BCADHN CON(C)C(=O)CN(C)[C@H](C)C(C)C ZINC000774551768 585661264 /nfs/dbraw/zinc/66/12/64/585661264.db2.gz YGYBWOPLYVGLCP-SECBINFHSA-N 0 3 202.298 0.983 20 0 BCADHN CCN(CC(=O)N(C)OC)C1CCC1 ZINC000774623396 585662299 /nfs/dbraw/zinc/66/22/99/585662299.db2.gz PAMAGYCTHUKZFX-UHFFFAOYSA-N 0 3 200.282 0.881 20 0 BCADHN CON(C)C(=O)CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000774621122 585662330 /nfs/dbraw/zinc/66/23/30/585662330.db2.gz RSLGFFSWMOABGR-LLVKDONJSA-N 0 3 241.335 0.175 20 0 BCADHN C[C@@H]1CCOCCN1CCN1CCCC1=O ZINC000775566564 585679915 /nfs/dbraw/zinc/67/99/15/585679915.db2.gz OBYAQEXBNPYYTJ-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN CN1CC=C(CNC(=O)C2=COCC2)CC1 ZINC000775888330 585687206 /nfs/dbraw/zinc/68/72/06/585687206.db2.gz NWKGYVXZFIAUTH-UHFFFAOYSA-N 0 3 222.288 0.669 20 0 BCADHN C[C@H]1CN(CCCn2ccnc2)CCN1C ZINC000776001546 585689323 /nfs/dbraw/zinc/68/93/23/585689323.db2.gz QDTMHCBIPMKDHH-LBPRGKRZSA-N 0 3 222.336 0.909 20 0 BCADHN C[C@@H]1C[C@@H](C)N(CN2CC(=O)N(C)C2=O)C1 ZINC000776199766 585692591 /nfs/dbraw/zinc/69/25/91/585692591.db2.gz BNTPKEUXVHYRDN-RKDXNWHRSA-N 0 3 225.292 0.568 20 0 BCADHN CCOCCONC(=O)N(C)CCN(C)C ZINC000776200621 585692708 /nfs/dbraw/zinc/69/27/08/585692708.db2.gz VQIYGINJAUBBAC-UHFFFAOYSA-N 0 3 233.312 0.158 20 0 BCADHN COCCNC(=S)NCC1=CCN(C)CC1 ZINC000776199019 585692720 /nfs/dbraw/zinc/69/27/20/585692720.db2.gz SUUMFQUCMBJFHT-UHFFFAOYSA-N 0 3 243.376 0.359 20 0 BCADHN C[C@@H]1C[C@H](C)N(CN2CC(=O)N(C)C2=O)C1 ZINC000776199761 585692812 /nfs/dbraw/zinc/69/28/12/585692812.db2.gz BNTPKEUXVHYRDN-BDAKNGLRSA-N 0 3 225.292 0.568 20 0 BCADHN CCONC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000776210820 585693166 /nfs/dbraw/zinc/69/31/66/585693166.db2.gz VMEYSCASLLJZIM-SNVBAGLBSA-N 0 3 227.308 0.816 20 0 BCADHN CC[C@H](C(=O)NCCN(C)OC)N(CC)CC ZINC000776564065 585700681 /nfs/dbraw/zinc/70/06/81/585700681.db2.gz PSPDDYGNRJWQSZ-LLVKDONJSA-N 0 3 245.367 0.716 20 0 BCADHN NC(=O)[C@@H]1CCCCN1CCN1CCCC1 ZINC000776701429 585703247 /nfs/dbraw/zinc/70/32/47/585703247.db2.gz RFVNDAXFRFPDHC-NSHDSACASA-N 0 3 225.336 0.422 20 0 BCADHN COC[C@@H]1CCCN(Cn2cnnc2)C1 ZINC000776758729 585704128 /nfs/dbraw/zinc/70/41/28/585704128.db2.gz AFZBDXHKWFINID-SNVBAGLBSA-N 0 3 210.281 0.594 20 0 BCADHN COC[C@H]1CCCN(Cn2cnnc2)C1 ZINC000776758728 585704149 /nfs/dbraw/zinc/70/41/49/585704149.db2.gz AFZBDXHKWFINID-JTQLQIEISA-N 0 3 210.281 0.594 20 0 BCADHN CC(=O)CCN1CC[C@@H](n2cncn2)C1 ZINC000776873825 585706341 /nfs/dbraw/zinc/70/63/41/585706341.db2.gz NOPXRBAYWXUSMK-SNVBAGLBSA-N 0 3 208.265 0.504 20 0 BCADHN C[C@H](C1CC1)N1CCN(CC(=O)N(C)C)CC1 ZINC000777413318 585711542 /nfs/dbraw/zinc/71/15/42/585711542.db2.gz RWLKKCZQJWLXLT-LLVKDONJSA-N 0 3 239.363 0.491 20 0 BCADHN COCCOC[C@H]1CCN(CC2OCCO2)C1 ZINC000777591301 585715082 /nfs/dbraw/zinc/71/50/82/585715082.db2.gz VYTVUMCJKLZLQW-NSHDSACASA-N 0 3 245.319 0.344 20 0 BCADHN C(C1OCCO1)N(C[C@H]1CCOC1)C1CC1 ZINC000777556574 585715101 /nfs/dbraw/zinc/71/51/01/585715101.db2.gz XVJBJWUYXLBSIJ-SNVBAGLBSA-N 0 3 227.304 0.860 20 0 BCADHN CC[C@@](C)(CO)N[C@@H]1CCCS(=O)(=O)C1 ZINC000777569535 585715522 /nfs/dbraw/zinc/71/55/22/585715522.db2.gz HTMRJVDFOQGCDS-ZJUUUORDSA-N 0 3 235.349 0.314 20 0 BCADHN C(C1OCCO1)N1CCC[C@H]2COCC[C@@H]21 ZINC000777599290 585715525 /nfs/dbraw/zinc/71/55/25/585715525.db2.gz HJSKKGAHANHOOL-QWRGUYRKSA-N 0 3 227.304 0.860 20 0 BCADHN CCN1CC(=O)N([C@@H]2CCN(C3CC3)C2)C1=O ZINC000777626182 585717301 /nfs/dbraw/zinc/71/73/01/585717301.db2.gz QUQGOODNKKFJRQ-SNVBAGLBSA-N 0 3 237.303 0.507 20 0 BCADHN C[C@@H]1NC(=O)N([C@@H]2CCN(C3CC3)C2)C1=O ZINC000777626110 585717466 /nfs/dbraw/zinc/71/74/66/585717466.db2.gz ODQJNRIGCZKYCI-IONNQARKSA-N 0 3 223.276 0.163 20 0 BCADHN CC[C@H]1NC(=O)N([C@@H]2CCN(C3CC3)C2)C1=O ZINC000777626409 585717652 /nfs/dbraw/zinc/71/76/52/585717652.db2.gz RZULLTJLVRBTPE-NXEZZACHSA-N 0 3 237.303 0.554 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCN1CC1OCCO1 ZINC000777711646 585718469 /nfs/dbraw/zinc/71/84/69/585718469.db2.gz AZMLQQIXQNOPNK-ZJUUUORDSA-N 0 3 215.293 0.595 20 0 BCADHN C[C@H](O)[C@@H]1CCCN(CC2OCCO2)C1 ZINC000777709933 585718572 /nfs/dbraw/zinc/71/85/72/585718572.db2.gz SOGIIGPCJNVPJZ-VHSXEESVSA-N 0 3 215.293 0.452 20 0 BCADHN C[C@H](O)[C@H]1CCCN(CC2OCCO2)C1 ZINC000777709930 585718647 /nfs/dbraw/zinc/71/86/47/585718647.db2.gz SOGIIGPCJNVPJZ-UWVGGRQHSA-N 0 3 215.293 0.452 20 0 BCADHN CN(CC1OCCO1)C[C@H]1CCC[C@H]1O ZINC000777711629 585718685 /nfs/dbraw/zinc/71/86/85/585718685.db2.gz FYGWXGUQGZMVAQ-NXEZZACHSA-N 0 3 215.293 0.452 20 0 BCADHN CC[C@@H]1CN(CC2OCCO2)C[C@@H]1O ZINC000777712987 585718817 /nfs/dbraw/zinc/71/88/17/585718817.db2.gz NBTSAGFKVQKGBU-BDAKNGLRSA-N 0 3 201.266 0.062 20 0 BCADHN CS[C@H]1CN(CC2OCCO2)C[C@H]1N(C)C ZINC000777713046 585718843 /nfs/dbraw/zinc/71/88/43/585718843.db2.gz NKQWJWGAKSCIIX-ZJUUUORDSA-N 0 3 246.376 0.337 20 0 BCADHN CS[C@@H]1CN(CC2OCCO2)C[C@H]1N(C)C ZINC000777713038 585718873 /nfs/dbraw/zinc/71/88/73/585718873.db2.gz NKQWJWGAKSCIIX-NXEZZACHSA-N 0 3 246.376 0.337 20 0 BCADHN CC[C@H]1CN(CC2OCCO2)C[C@@H]1O ZINC000777712991 585718999 /nfs/dbraw/zinc/71/89/99/585718999.db2.gz NBTSAGFKVQKGBU-IUCAKERBSA-N 0 3 201.266 0.062 20 0 BCADHN CC[C@H]1CN(CC2OCCO2)C[C@H]1O ZINC000777712989 585719152 /nfs/dbraw/zinc/71/91/52/585719152.db2.gz NBTSAGFKVQKGBU-DTWKUNHWSA-N 0 3 201.266 0.062 20 0 BCADHN Cc1cc(NCc2cc(C(N)=O)co2)nc(N)n1 ZINC000777816555 585720459 /nfs/dbraw/zinc/72/04/59/585720459.db2.gz UDFCWIDXDKUUDI-UHFFFAOYSA-N 0 3 247.258 0.671 20 0 BCADHN C[C@H](NCCCC(=O)NC(N)=O)c1cn[nH]c1 ZINC000778143174 585726208 /nfs/dbraw/zinc/72/62/08/585726208.db2.gz WWPDRGJISDPSJP-ZETCQYMHSA-N 0 3 239.279 0.035 20 0 BCADHN OC1(CNCc2ccc(F)nc2)CCOCC1 ZINC000778165205 585726692 /nfs/dbraw/zinc/72/66/92/585726692.db2.gz MEGXCLACNVIVMO-UHFFFAOYSA-N 0 3 240.278 0.852 20 0 BCADHN O=C1OCC[C@]12CCCN2CCN1CCCC1 ZINC000778249456 585729868 /nfs/dbraw/zinc/72/98/68/585729868.db2.gz NJQXZSSVHRGTGA-CYBMUJFWSA-N 0 3 238.331 0.864 20 0 BCADHN C[C@@H]1CCN(CCN2CCCC2)[C@@H](C(N)=O)C1 ZINC000778295485 585730423 /nfs/dbraw/zinc/73/04/23/585730423.db2.gz PVBCUSVYJOQTNY-VXGBXAGGSA-N 0 3 239.363 0.668 20 0 BCADHN CON(C)C(=O)CN(C)[C@]1(CO)CC[C@H](C)C1 ZINC000778427300 585734452 /nfs/dbraw/zinc/73/44/52/585734452.db2.gz LCSWZLYYWFCPLP-CMPLNLGQSA-N 0 3 244.335 0.489 20 0 BCADHN CO[C@@H]1CCN([C@H]2CCCN(C)C2=O)C1 ZINC000778949174 585742654 /nfs/dbraw/zinc/74/26/54/585742654.db2.gz YCGSIDOHNKPNJV-ZJUUUORDSA-N 0 3 212.293 0.328 20 0 BCADHN C[C@H]1C[C@@H](CN2CCCNC(=O)C2)CCO1 ZINC000779003137 585743887 /nfs/dbraw/zinc/74/38/87/585743887.db2.gz QULYAOLMCZPIES-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN CCN(CC(=O)NC)C[C@H]1CCO[C@@H](C)C1 ZINC000778996384 585743911 /nfs/dbraw/zinc/74/39/11/585743911.db2.gz NESGBEPCOOMGSF-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1ccncn1 ZINC000779041456 585744588 /nfs/dbraw/zinc/74/45/88/585744588.db2.gz SMSLZDUXCKVCBN-SNVBAGLBSA-N 0 3 234.303 0.691 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1ccncn1 ZINC000779041453 585744595 /nfs/dbraw/zinc/74/45/95/585744595.db2.gz SMSLZDUXCKVCBN-JTQLQIEISA-N 0 3 234.303 0.691 20 0 BCADHN Cc1ccc([C@@H](O)CN[C@@H](C)CCO)o1 ZINC000779347781 585752429 /nfs/dbraw/zinc/75/24/29/585752429.db2.gz NXLZQUIVQPEIRC-WPRPVWTQSA-N 0 3 213.277 0.982 20 0 BCADHN CC(C)=CC(=O)NC1(CCO)CCN(C)CC1 ZINC000779443421 585755151 /nfs/dbraw/zinc/75/51/51/585755151.db2.gz HWHKEHFMJOTWKV-UHFFFAOYSA-N 0 3 240.347 0.916 20 0 BCADHN CC[C@H](CO)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000779622016 585757499 /nfs/dbraw/zinc/75/74/99/585757499.db2.gz UBLLSKFXAQQIHN-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@H](CO)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000779637124 585757754 /nfs/dbraw/zinc/75/77/54/585757754.db2.gz GKUFHDMZPWBZTP-IJLUTSLNSA-N 0 3 242.363 0.804 20 0 BCADHN CC[C@H](CO)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000779644226 585758130 /nfs/dbraw/zinc/75/81/30/585758130.db2.gz WSOJOUBCODWHEH-UTUOFQBUSA-N 0 3 240.347 0.700 20 0 BCADHN CC(=O)OC(C)(C)C(=O)NCCN1CCCC1 ZINC000779731095 585760011 /nfs/dbraw/zinc/76/00/11/585760011.db2.gz LKYURJAHJTWAFM-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN CC[C@@H](CO)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000779736144 585760239 /nfs/dbraw/zinc/76/02/39/585760239.db2.gz GBAAXTYFGSUXKT-NEPJUHHUSA-N 0 3 242.363 0.853 20 0 BCADHN CC[C@H](CO)C(=O)NCCN1CCC(C)CC1 ZINC000779735796 585760427 /nfs/dbraw/zinc/76/04/27/585760427.db2.gz AVZXXDXXCRENJU-GFCCVEGCSA-N 0 3 242.363 0.853 20 0 BCADHN CC[C@H](CO)C(=O)N(C)C1CCN(CC)CC1 ZINC000779761491 585761480 /nfs/dbraw/zinc/76/14/80/585761480.db2.gz CJXYZTDBIRHGMJ-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H](CO)C(=O)NC[C@H]1CCCCN1CC ZINC000779777539 585762416 /nfs/dbraw/zinc/76/24/16/585762416.db2.gz IEUGSACQYIQQNN-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](CO)C(=O)N[C@H](CN(C)C)C(C)C ZINC000779779885 585762644 /nfs/dbraw/zinc/76/26/44/585762644.db2.gz MGQITKSWSREKKV-WDEREUQCSA-N 0 3 230.352 0.707 20 0 BCADHN CC[C@H](CO)C(=O)NCCN1CC[C@H](C)C1 ZINC000779802084 585764904 /nfs/dbraw/zinc/76/49/04/585764904.db2.gz CKSVWUVAOACOHB-WDEREUQCSA-N 0 3 228.336 0.463 20 0 BCADHN CCON(C)C(=S)NC1CCN(C)CC1 ZINC000780242986 585774531 /nfs/dbraw/zinc/77/45/31/585774531.db2.gz LXFMRCYZPSBQSI-UHFFFAOYSA-N 0 3 231.365 0.838 20 0 BCADHN C[C@H](O)[C@H]1CCN(CC2OCCO2)C1 ZINC000780358935 585778499 /nfs/dbraw/zinc/77/84/99/585778499.db2.gz OWHMPCWOTDNSKX-IUCAKERBSA-N 0 3 201.266 0.062 20 0 BCADHN O=CN1CCCN(CCN2CCCCC2)CC1 ZINC000781563359 585798779 /nfs/dbraw/zinc/79/87/79/585798779.db2.gz MVDRDSSSLBQIFA-UHFFFAOYSA-N 0 3 239.363 0.636 20 0 BCADHN COC(CN1CCC(OCCCO)CC1)OC ZINC000781894470 585804593 /nfs/dbraw/zinc/80/45/93/585804593.db2.gz BDEDCCIXJIMLLF-UHFFFAOYSA-N 0 3 247.335 0.469 20 0 BCADHN COCC1(O)CCN(CC(OC)OC)CC1 ZINC000781903267 585805217 /nfs/dbraw/zinc/80/52/17/585805217.db2.gz FDYYGJUHYZPEJF-UHFFFAOYSA-N 0 3 233.308 0.079 20 0 BCADHN C[C@@H]1CN(CCF)CCN1CC(C)(C)O ZINC000782005099 585806384 /nfs/dbraw/zinc/80/63/84/585806384.db2.gz XWSQDHNWFWGMSB-SNVBAGLBSA-N 0 3 218.316 0.733 20 0 BCADHN CNS(=O)(=O)[C@H]1CCN([C@@H](C)C2CC2)C1 ZINC000782189055 585811289 /nfs/dbraw/zinc/81/12/89/585811289.db2.gz FGAIADUZRVRHAN-WPRPVWTQSA-N 0 3 232.349 0.408 20 0 BCADHN C[C@@H](C1CC1)N1CCN2CCOC[C@@H]2C1 ZINC000782192349 585811531 /nfs/dbraw/zinc/81/15/31/585811531.db2.gz GWMMTPXURNLWPE-JQWIXIFHSA-N 0 3 210.321 0.801 20 0 BCADHN CCNC(=O)CC(=O)OCCN(CC)CC ZINC000782346743 585815943 /nfs/dbraw/zinc/81/59/43/585815943.db2.gz YIIUOXLUUAQZHY-UHFFFAOYSA-N 0 3 230.308 0.398 20 0 BCADHN C[C@@H]1CN(C)C(=O)CN1CCN1CCCCC1 ZINC000782588065 585821123 /nfs/dbraw/zinc/82/11/23/585821123.db2.gz VFMYISRSAOSWJM-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN OCc1ccc(CN2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782613991 585822242 /nfs/dbraw/zinc/82/22/42/585822242.db2.gz IJVXZQAFEIVULG-UONOGXRCSA-N 0 3 233.311 0.993 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@@H]2C[C@]2(CO)C1 ZINC000782616273 585822425 /nfs/dbraw/zinc/82/24/25/585822425.db2.gz IHWJOEWEZQVSKJ-QJPTWQEYSA-N 0 3 229.320 0.087 20 0 BCADHN OC[C@]12C[C@H]1CN(CCOC[C@H]1CCCO1)C2 ZINC000782618985 585822636 /nfs/dbraw/zinc/82/26/36/585822636.db2.gz RTXZKKOESOGWCM-YNEHKIRRSA-N 0 3 241.331 0.496 20 0 BCADHN OC[C@]12C[C@H]1CN(CCOC[C@@H]1CCCO1)C2 ZINC000782618983 585822681 /nfs/dbraw/zinc/82/26/81/585822681.db2.gz RTXZKKOESOGWCM-RWMBFGLXSA-N 0 3 241.331 0.496 20 0 BCADHN CC(C)NC(=O)CCN1C[C@H]2C[C@@]2(CO)C1 ZINC000782623098 585823078 /nfs/dbraw/zinc/82/30/78/585823078.db2.gz YJSFWLNTBWGXPH-PWSUYJOCSA-N 0 3 226.320 0.215 20 0 BCADHN O=C1OCC[C@@H]1CCN1C[C@H]2C[C@@]2(CO)C1 ZINC000782622609 585823204 /nfs/dbraw/zinc/82/32/04/585823204.db2.gz XEZNSANXENKMAH-UMNHJUIQSA-N 0 3 225.288 0.254 20 0 BCADHN COC[C@H](C)CN1CCCNC(=O)C1 ZINC000783548187 585836228 /nfs/dbraw/zinc/83/62/28/585836228.db2.gz CBMAIGOVJZRBCD-SECBINFHSA-N 0 3 200.282 0.091 20 0 BCADHN CC[C@@H](CO)C(=O)NCC1(N(C)C)CCC1 ZINC000783751113 585841787 /nfs/dbraw/zinc/84/17/87/585841787.db2.gz DBTMSIPOYIEIKW-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN C[C@H]1OCC[C@@]1(C)NC(=S)NCCN(C)C ZINC000783766320 585842550 /nfs/dbraw/zinc/84/25/50/585842550.db2.gz WOOBZMMLVKJMEF-MWLCHTKSSA-N 0 3 245.392 0.580 20 0 BCADHN CN(C)C1(C(=O)N(C)CC2(CO)CC2)CCC1 ZINC000783768413 585842627 /nfs/dbraw/zinc/84/26/27/585842627.db2.gz JDTPIDXJOQELLO-UHFFFAOYSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H](CO)N(CC1OCCO1)C1CCCC1 ZINC000805752159 585843410 /nfs/dbraw/zinc/84/34/10/585843410.db2.gz ZOUJFAXHNCHMDY-JTQLQIEISA-N 0 3 229.320 0.985 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1cnco1 ZINC000783920346 585845675 /nfs/dbraw/zinc/84/56/75/585845675.db2.gz KCZACZXLWNFGLA-SECBINFHSA-N 0 3 223.276 0.889 20 0 BCADHN Cc1cc(C(=O)NCCN2CCC[C@@H]2C)ncn1 ZINC000783920304 585845915 /nfs/dbraw/zinc/84/59/15/585845915.db2.gz JTSJMXRWMLGWDE-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN COCCN(C)CCNC(=O)[C@H](F)C(C)C ZINC000784390011 585858084 /nfs/dbraw/zinc/85/80/84/585858084.db2.gz WITZSWVRHYNBDO-SNVBAGLBSA-N 0 3 234.315 0.675 20 0 BCADHN CC(C)[C@@H](F)C(=O)NC[C@](C)(O)CN(C)C ZINC000784449548 585860027 /nfs/dbraw/zinc/86/00/27/585860027.db2.gz AZJWQZPVIQKQJJ-KOLCDFICSA-N 0 3 234.315 0.409 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H](F)C(C)C ZINC000784524520 585862197 /nfs/dbraw/zinc/86/21/97/585862197.db2.gz LJDGYQZJFUNMGX-SNVBAGLBSA-N 0 3 234.315 0.411 20 0 BCADHN CON(C)C(=O)CN[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000784588730 585863911 /nfs/dbraw/zinc/86/39/11/585863911.db2.gz NTHXKBYEDVNYSU-NEPJUHHUSA-N 0 3 242.319 0.553 20 0 BCADHN CCN(CC(N)=O)CC1CC(OC)C1 ZINC000859275086 589026292 /nfs/dbraw/zinc/02/62/92/589026292.db2.gz ZGVPTENGTWAUPL-UHFFFAOYSA-N 0 3 200.282 0.219 20 0 BCADHN CON(C)C(=O)CN1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000785545530 585875690 /nfs/dbraw/zinc/87/56/90/585875690.db2.gz HOEQHPMORUJWSH-HBNTYKKESA-N 0 3 244.335 0.488 20 0 BCADHN CCN1CCC(NC(=O)c2cnn(C)n2)CC1 ZINC000785724076 585878968 /nfs/dbraw/zinc/87/89/68/585878968.db2.gz QSCFNPHZTGWINQ-UHFFFAOYSA-N 0 3 237.307 0.029 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cnn(C)n2)CCN1C ZINC000786232823 585888895 /nfs/dbraw/zinc/88/88/95/585888895.db2.gz ZBRCMDGRJTXSMI-DTWKUNHWSA-N 0 3 237.307 0.028 20 0 BCADHN CCN(CC(=O)NC)C[C@H]1CCSC1 ZINC000787083776 585900691 /nfs/dbraw/zinc/90/06/91/585900691.db2.gz MRIDMZNIKHLUMQ-SECBINFHSA-N 0 3 216.350 0.807 20 0 BCADHN CCN(CCC(C)(C)OC)CC(=O)NC ZINC000787182347 585902463 /nfs/dbraw/zinc/90/24/63/585902463.db2.gz FHGDYUNSWQYYOY-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN CNC(=O)OC[C@H]1CCCCN1C[C@H](C)CO ZINC000805828723 585903316 /nfs/dbraw/zinc/90/33/16/585903316.db2.gz PLPNTMYMXZOAMF-WDEREUQCSA-N 0 3 244.335 0.825 20 0 BCADHN CO[C@H]1CC(=O)N(CN2CC[C@H](C3CC3)C2)C1 ZINC000787227753 585903474 /nfs/dbraw/zinc/90/34/74/585903474.db2.gz MWAWDJGSQFVKBL-RYUDHWBXSA-N 0 3 238.331 0.923 20 0 BCADHN COC(=O)[C@H]1CCN(CC(OC)OC)[C@@H]1C ZINC000787322999 585906753 /nfs/dbraw/zinc/90/67/53/585906753.db2.gz BCWVSGYBQQJMGX-BDAKNGLRSA-N 0 3 231.292 0.489 20 0 BCADHN CS[C@@H]1CN(C(=O)C(F)F)C[C@@H]1N(C)C ZINC000787475713 585909817 /nfs/dbraw/zinc/90/98/17/585909817.db2.gz VNEQSUIFCBCYKY-NKWVEPMBSA-N 0 3 238.303 0.756 20 0 BCADHN COC(=O)[C@@]1(C)CCN(CC[S@](C)=O)C1 ZINC000787732732 585915082 /nfs/dbraw/zinc/91/50/82/585915082.db2.gz ZYTHKLVOUYZTFK-BONVTDFDSA-N 0 3 233.333 0.250 20 0 BCADHN COC(=O)[C@]1(C)CCN(CC[S@](C)=O)C1 ZINC000787732730 585915089 /nfs/dbraw/zinc/91/50/89/585915089.db2.gz ZYTHKLVOUYZTFK-BMIGLBTASA-N 0 3 233.333 0.250 20 0 BCADHN COC(CN1CC[C@H](c2nccn2C)C1)OC ZINC000787993098 585918411 /nfs/dbraw/zinc/91/84/11/585918411.db2.gz VEDRQFOWNNAVMK-JTQLQIEISA-N 0 3 239.319 0.828 20 0 BCADHN OC[C@@H]1CCN(CCc2cccs2)C[C@@H]1O ZINC000787996141 585918643 /nfs/dbraw/zinc/91/86/43/585918643.db2.gz MAQNCYRESVLRHG-JQWIXIFHSA-N 0 3 241.356 0.966 20 0 BCADHN C[C@@H](O)CN1CCN(c2ccncc2)C[C@@H]1C ZINC000788327758 585921938 /nfs/dbraw/zinc/92/19/38/585921938.db2.gz RNQPHYPHRGVPAM-NWDGAFQWSA-N 0 3 235.331 0.973 20 0 BCADHN Cc1cc(N2CC[C@]3(CNC(=O)C3)C2)nc(N)n1 ZINC000788571479 585927363 /nfs/dbraw/zinc/92/73/63/585927363.db2.gz YXZBJPFSQDZPAT-LBPRGKRZSA-N 0 3 247.302 0.084 20 0 BCADHN CN(C)CCNC(=S)NC[C@H]1CC[C@@H](O)C1 ZINC000788680390 585928880 /nfs/dbraw/zinc/92/88/80/585928880.db2.gz NHUZIYQRADEZOP-VHSXEESVSA-N 0 3 245.392 0.173 20 0 BCADHN CN(C)CCNC(=S)NC[C@@H]1CC[C@H](O)C1 ZINC000788680392 585928942 /nfs/dbraw/zinc/92/89/42/585928942.db2.gz NHUZIYQRADEZOP-ZJUUUORDSA-N 0 3 245.392 0.173 20 0 BCADHN COCCONC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000788973282 585932532 /nfs/dbraw/zinc/93/25/32/585932532.db2.gz MMXNLXPHCXQEBK-SECBINFHSA-N 0 3 245.323 0.346 20 0 BCADHN COCCONC(=O)NCC1(N(C)C)CCC1 ZINC000789223542 585937098 /nfs/dbraw/zinc/93/70/98/585937098.db2.gz UKZVAVMTFGPCQH-UHFFFAOYSA-N 0 3 245.323 0.348 20 0 BCADHN CC(=O)CCN(C)[C@H](C)CN1CCOCC1 ZINC000789335090 585940176 /nfs/dbraw/zinc/94/01/76/585940176.db2.gz PKCHDXPVYGFGCB-LLVKDONJSA-N 0 3 228.336 0.618 20 0 BCADHN COC(CN(C)[C@H](C)CN1CCOCC1)OC ZINC000789340168 585940501 /nfs/dbraw/zinc/94/05/01/585940501.db2.gz JMEWZJBOPDAOIL-LLVKDONJSA-N 0 3 246.351 0.258 20 0 BCADHN CC(=O)CCN1CC[C@@]2(CNC(=O)C2)C1 ZINC000789356025 585941128 /nfs/dbraw/zinc/94/11/28/585941128.db2.gz XTLZSENWCQUDMM-LLVKDONJSA-N 0 3 210.277 0.178 20 0 BCADHN CN(C)C1(C(=O)NC[C@H]2CC[C@H](O)C2)CCC1 ZINC000789857825 585951817 /nfs/dbraw/zinc/95/18/17/585951817.db2.gz FSMAIJWVJUBYKB-QWRGUYRKSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1nn[nH]c1C(=O)NCCN1CC[C@H](C)C1 ZINC000789971576 585955325 /nfs/dbraw/zinc/95/53/25/585955325.db2.gz VNPQRINAHKSQOF-QMMMGPOBSA-N 0 3 237.307 0.185 20 0 BCADHN CN(CC1CCOCC1)[C@@H]1CCC(=O)NC1=O ZINC000790081058 585957596 /nfs/dbraw/zinc/95/75/96/585957596.db2.gz WREZLNYZZSDYTL-SNVBAGLBSA-N 0 3 240.303 0.150 20 0 BCADHN CON(C)C(=O)CN1CCCC[C@@H]1C[C@H](C)O ZINC000790435891 585964492 /nfs/dbraw/zinc/96/44/92/585964492.db2.gz FTABFDCAKQYDED-WDEREUQCSA-N 0 3 244.335 0.632 20 0 BCADHN O=C1CN(CCN2CCCC2)CN1C1CC1 ZINC000790465147 585965222 /nfs/dbraw/zinc/96/52/22/585965222.db2.gz RBZOQSBGLYEFDI-UHFFFAOYSA-N 0 3 223.320 0.346 20 0 BCADHN CC(C)OCC(=N)NOCc1ncccn1 ZINC000790501391 585965629 /nfs/dbraw/zinc/96/56/29/585965629.db2.gz QWFAWIQIEZFKIX-UHFFFAOYSA-N 0 3 224.264 0.900 20 0 BCADHN CONC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000790542854 585965928 /nfs/dbraw/zinc/96/59/28/585965928.db2.gz PMXLWGMIFNAFFI-SECBINFHSA-N 0 3 229.324 0.967 20 0 BCADHN COC/C=C\C(=O)N(CCOC)CCN(C)C ZINC000791352005 585978358 /nfs/dbraw/zinc/97/83/58/585978358.db2.gz HXGMYRGEHRMKEZ-WAYWQWQTSA-N 0 3 244.335 0.226 20 0 BCADHN COC/C=C/C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000791372207 585979335 /nfs/dbraw/zinc/97/93/35/585979335.db2.gz 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0 3 238.291 0.544 20 0 BCADHN O[C@H](CN1CCN([C@H]2CCOC2)CC1)C1CC1 ZINC000794555435 586043878 /nfs/dbraw/zinc/04/38/78/586043878.db2.gz LRAKLGSMXQFIGH-QWHCGFSZSA-N 0 3 240.347 0.164 20 0 BCADHN CCOC[C@H](N[C@H]1CCC(=O)NC1=O)C(C)C ZINC000794601039 586044968 /nfs/dbraw/zinc/04/49/68/586044968.db2.gz RCXCVZUDWMADHT-UWVGGRQHSA-N 0 3 242.319 0.442 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCOC(C)C)C[C@@H]21 ZINC000794954463 586056972 /nfs/dbraw/zinc/05/69/72/586056972.db2.gz UYBOCQHFDCLTAQ-URLYPYJESA-N 0 3 227.304 0.762 20 0 BCADHN CN1C[C@@H]2CCN(CCC(=O)C3CC3)[C@@H]2C1 ZINC000794951050 586057097 /nfs/dbraw/zinc/05/70/97/586057097.db2.gz ARDLQWZYLNYVLH-NWDGAFQWSA-N 0 3 222.332 0.992 20 0 BCADHN CN1C[C@H]2CCN(CCC(=O)C3CC3)[C@H]2C1 ZINC000794951048 586057337 /nfs/dbraw/zinc/05/73/37/586057337.db2.gz ARDLQWZYLNYVLH-NEPJUHHUSA-N 0 3 222.332 0.992 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCC(=O)C(C)C)C[C@@H]21 ZINC000794969866 586059127 /nfs/dbraw/zinc/05/91/27/586059127.db2.gz DDGRVIDZGTXWAU-IAZYJMLFSA-N 0 3 239.315 0.952 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(C[C@H](C)OC)C[C@@H]21 ZINC000794967373 586059368 /nfs/dbraw/zinc/05/93/68/586059368.db2.gz BUULZXWQUHDLSP-AXTSPUMRSA-N 0 3 213.277 0.372 20 0 BCADHN COCCCCN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794970948 586059636 /nfs/dbraw/zinc/05/96/36/586059636.db2.gz NRACWXMGFAGRQW-URLYPYJESA-N 0 3 227.304 0.764 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2ccnc(F)c2)C1 ZINC000859290387 589028313 /nfs/dbraw/zinc/02/83/13/589028313.db2.gz XJAWAJSSHBOYHN-LBPRGKRZSA-N 0 3 237.278 0.918 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCc3cccnc3)C[C@@H]21 ZINC000794984952 586061598 /nfs/dbraw/zinc/06/15/98/586061598.db2.gz SORWGSRUHWKURX-ITGUQSILSA-N 0 3 246.310 0.975 20 0 BCADHN C[C@H]1CC[C@H]1NC(=S)NCCN(C)C ZINC000795166554 586070048 /nfs/dbraw/zinc/07/00/48/586070048.db2.gz QDCYASZJOCGQLO-DTWKUNHWSA-N 0 3 215.366 0.811 20 0 BCADHN CCO[C@H](CN1CCCN(C=O)CC1)C1CC1 ZINC000859312348 589030229 /nfs/dbraw/zinc/03/02/29/589030229.db2.gz SPYKIVZTDYAECC-CYBMUJFWSA-N 0 3 240.347 0.966 20 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ZINC000798196112 586139984 /nfs/dbraw/zinc/13/99/84/586139984.db2.gz SBXLASKWSMCIBU-BLLLJJGKSA-N 0 3 244.404 0.925 20 0 BCADHN CCCCCN(CCO)CC[S@](C)=O ZINC000798196342 586140041 /nfs/dbraw/zinc/14/00/41/586140041.db2.gz VEIATABCAIEPSY-AWEZNQCLSA-N 0 3 221.366 0.849 20 0 BCADHN CCC1(CO)CCN(CC[S@](C)=O)CC1 ZINC000798198154 586140335 /nfs/dbraw/zinc/14/03/35/586140335.db2.gz ZDCQDKZUELWRPN-HNNXBMFYSA-N 0 3 233.377 0.849 20 0 BCADHN CCN(CC)CCOC(=O)c1cnnn1C ZINC000798797760 586150251 /nfs/dbraw/zinc/15/02/51/586150251.db2.gz VRGPQFHZLRPUMH-UHFFFAOYSA-N 0 3 226.280 0.314 20 0 BCADHN CN(C)C1(C(=O)N(C)[C@H]2CCOC2)CCC1 ZINC000798959240 586154406 /nfs/dbraw/zinc/15/44/06/586154406.db2.gz ABRYPUAKEKIADS-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN CCN(C[C@H]1CCOC1)[C@H]1CCC(=O)NC1=O ZINC000799113749 586157407 /nfs/dbraw/zinc/15/74/07/586157407.db2.gz KVVUAMGEJMIALQ-ZJUUUORDSA-N 0 3 240.303 0.150 20 0 BCADHN C[C@H](O)CN1CCCC[C@H]1CN1CCCC1=O ZINC000799121877 586159228 /nfs/dbraw/zinc/15/92/28/586159228.db2.gz JHCXQPBMJLQIGC-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN CN(C[C@@H]1CCCOC1)[C@H]1CCC(=O)NC1=O ZINC000799122532 586159851 /nfs/dbraw/zinc/15/98/51/586159851.db2.gz RHXFZVFDXVGNCE-UWVGGRQHSA-N 0 3 240.303 0.150 20 0 BCADHN CC[C@H]1CCN([C@H]2CCC(=O)NC2=O)C1 ZINC000799128547 586160903 /nfs/dbraw/zinc/16/09/03/586160903.db2.gz QKMRVVLOTWGKDS-IUCAKERBSA-N 0 3 210.277 0.524 20 0 BCADHN CON(C)C(=O)CCN1C[C@H](C)N(C)C[C@H]1C ZINC000799146998 586161608 /nfs/dbraw/zinc/16/16/08/586161608.db2.gz DELZJUNKTWVPCF-WDEREUQCSA-N 0 3 243.351 0.421 20 0 BCADHN CCOCCN(C)CCC(=O)N(C)OC ZINC000799151329 586163374 /nfs/dbraw/zinc/16/33/74/586163374.db2.gz CHBOZGVDOHZGQJ-UHFFFAOYSA-N 0 3 218.297 0.365 20 0 BCADHN C[C@@H]1CSCCN([C@H]2CCC(=O)NC2=O)C1 ZINC000799167822 586163798 /nfs/dbraw/zinc/16/37/98/586163798.db2.gz AFBNWAGXMLGAON-IUCAKERBSA-N 0 3 242.344 0.477 20 0 BCADHN COCC1=CCN(CCC(=O)N(C)OC)CC1 ZINC000799166945 586164008 /nfs/dbraw/zinc/16/40/08/586164008.db2.gz QVMWPOIKSUMHNX-UHFFFAOYSA-N 0 3 242.319 0.675 20 0 BCADHN CCC(=O)CCN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799180510 586165323 /nfs/dbraw/zinc/16/53/23/586165323.db2.gz NJUJBCQPOQDUBS-KOLCDFICSA-N 0 3 240.303 0.786 20 0 BCADHN COC[C@@H](O)CN1CC[C@@H](c2ccccn2)C1 ZINC000799196182 586167221 /nfs/dbraw/zinc/16/72/21/586167221.db2.gz PLJVMSKBKPOFTH-NEPJUHHUSA-N 0 3 236.315 0.878 20 0 BCADHN CC[C@H]1CN(CCN2CCOC2=O)CCCO1 ZINC000799200336 586167944 /nfs/dbraw/zinc/16/79/44/586167944.db2.gz IAXGZMNJOPIWOY-NSHDSACASA-N 0 3 242.319 0.940 20 0 BCADHN CC(C)N(CCO)C[C@H](O)c1ccc(F)cn1 ZINC000799298221 586169320 /nfs/dbraw/zinc/16/93/20/586169320.db2.gz WFKVTYSMYWXWCV-LBPRGKRZSA-N 0 3 242.294 0.957 20 0 BCADHN OC[C@H]1CCCN1C[C@@H](O)c1ccc(F)cn1 ZINC000799297407 586169815 /nfs/dbraw/zinc/16/98/15/586169815.db2.gz MTTXVNJSXPXUEB-ZYHUDNBSSA-N 0 3 240.278 0.711 20 0 BCADHN C[C@H](O)CN(C)C[C@@H](O)c1ccc(F)cn1 ZINC000799302887 586170468 /nfs/dbraw/zinc/17/04/68/586170468.db2.gz AZIKSVLPJWPDHI-GZMMTYOYSA-N 0 3 228.267 0.567 20 0 BCADHN CC(C)OC[C@@H](C)NC[C@H](O)c1cnn(C)c1 ZINC000800242381 586205858 /nfs/dbraw/zinc/20/58/58/586205858.db2.gz BZKWVQXHYYXEJO-PWSUYJOCSA-N 0 3 241.335 0.857 20 0 BCADHN CCN1CC[C@H](NC(=O)C[C@@H](C)OC)C1 ZINC000839898731 586212764 /nfs/dbraw/zinc/21/27/64/586212764.db2.gz HLARWCRRSUMWDH-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CCN1CC[C@H](NC(=O)c2cccc(OC)n2)C1 ZINC000839900434 586214150 /nfs/dbraw/zinc/21/41/50/586214150.db2.gz RJKKMUOSNTZZLA-JTQLQIEISA-N 0 3 249.314 0.914 20 0 BCADHN CN(CCOCCO)CCC(=O)C1CC1 ZINC000800508054 586223881 /nfs/dbraw/zinc/22/38/81/586223881.db2.gz IEIOXZAFPXNVMS-UHFFFAOYSA-N 0 3 215.293 0.296 20 0 BCADHN Cn1nccc1[C@@H]1CCCN(Cn2cnnc2)C1 ZINC000800859641 586234437 /nfs/dbraw/zinc/23/44/37/586234437.db2.gz POPAAISNZBIFRM-LLVKDONJSA-N 0 3 246.318 0.849 20 0 BCADHN Cc1ccc([C@@H](O)CN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000859452885 589038546 /nfs/dbraw/zinc/03/85/46/589038546.db2.gz JEMVPYFWFRVLMQ-AVGNSLFASA-N 0 3 237.299 0.066 20 0 BCADHN COC(=O)COC(=O)C1CCN(C2CC2)CC1 ZINC000801871996 586275958 /nfs/dbraw/zinc/27/59/58/586275958.db2.gz JCNMHQVBSKRGSV-UHFFFAOYSA-N 0 3 241.287 0.577 20 0 BCADHN Cn1nccc1CCN1C[C@@H]2C[C@]2(CO)C1 ZINC000801946024 586281990 /nfs/dbraw/zinc/28/19/90/586281990.db2.gz GCAIOTLETOGQOR-CMPLNLGQSA-N 0 3 221.304 0.277 20 0 BCADHN CCC(=O)CCN1CC[C@@](OC)(C(=O)OC)C1 ZINC000859557708 589045132 /nfs/dbraw/zinc/04/51/32/589045132.db2.gz VQKZNIVGEVOINM-LBPRGKRZSA-N 0 3 243.303 0.620 20 0 BCADHN COC(=O)[C@]1(OC)CCN(CCC(C)=O)C1 ZINC000859561800 589045624 /nfs/dbraw/zinc/04/56/24/589045624.db2.gz OPRILWCZPZZEDD-NSHDSACASA-N 0 3 229.276 0.229 20 0 BCADHN C[C@@H](CN(C)C)NC(=S)NC[C@@H]1CCOC1 ZINC000806590489 586415223 /nfs/dbraw/zinc/41/52/23/586415223.db2.gz FDSMBXKGWPHUJN-UWVGGRQHSA-N 0 3 245.392 0.437 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCc1ccon1 ZINC000806903352 586420346 /nfs/dbraw/zinc/42/03/46/586420346.db2.gz HZAKWPSMDMUHDN-QMMMGPOBSA-N 0 3 226.280 0.424 20 0 BCADHN CN1CCC2(CCN2C(=O)COC(F)F)CC1 ZINC000806923737 586420362 /nfs/dbraw/zinc/42/03/62/586420362.db2.gz BUIYIDDBWPFTQG-UHFFFAOYSA-N 0 3 248.273 0.922 20 0 BCADHN Cc1cnccc1COC(=O)C1CCN(C)C1=O ZINC000859641969 589051602 /nfs/dbraw/zinc/05/16/02/589051602.db2.gz NCNFKUACFCEELR-NSHDSACASA-N 0 3 248.282 0.912 20 0 BCADHN CSCCONC(=O)N[C@@H](C)CN(C)C ZINC000807192283 586425342 /nfs/dbraw/zinc/42/53/42/586425342.db2.gz HJIZKOAZEIWYTR-QMMMGPOBSA-N 0 3 235.353 0.530 20 0 BCADHN Cc1nonc1CNC(=O)N[C@@H](C)CN(C)C ZINC000807577297 586446560 /nfs/dbraw/zinc/44/65/60/586446560.db2.gz LRNKIMXWDITSTI-ZETCQYMHSA-N 0 3 241.295 0.127 20 0 BCADHN CC(C)=CC(=O)N[C@H](CO)CN1CCCCC1 ZINC000808080631 586461238 /nfs/dbraw/zinc/46/12/38/586461238.db2.gz MJTBPPFUYOLOFN-LBPRGKRZSA-N 0 3 240.347 0.916 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1C[C@@H](C)OC1=O ZINC000808207054 586467670 /nfs/dbraw/zinc/46/76/70/586467670.db2.gz MOWZWORITXWAFR-BDAKNGLRSA-N 0 3 228.292 0.148 20 0 BCADHN Cn1cnc(CNCCCO[C@H]2CCOC2)c1 ZINC000808394174 586470886 /nfs/dbraw/zinc/47/08/86/586470886.db2.gz ILMBGGLSIBJNJJ-LBPRGKRZSA-N 0 3 239.319 0.705 20 0 BCADHN Cn1cnc(CN[C@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000808391769 586471014 /nfs/dbraw/zinc/47/10/14/586471014.db2.gz QTMZJFKFXMTUQL-UWVGGRQHSA-N 0 3 236.319 0.554 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1nccn1C ZINC000808473993 586475547 /nfs/dbraw/zinc/47/55/47/586475547.db2.gz YAYNXIJCTFBZQY-QMMMGPOBSA-N 0 3 210.281 0.100 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCCNC(=O)C1 ZINC000808719280 586484599 /nfs/dbraw/zinc/48/45/99/586484599.db2.gz UETYJVGTKTVWPP-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)C(=O)CCN1CCC(NC(N)=O)CC1 ZINC000808732229 586485145 /nfs/dbraw/zinc/48/51/45/586485145.db2.gz LKCBDPLUQQVEMP-UHFFFAOYSA-N 0 3 241.335 0.734 20 0 BCADHN CCCC[C@H](C)N(C)CCS(N)(=O)=O ZINC000810125208 586535073 /nfs/dbraw/zinc/53/50/73/586535073.db2.gz BAVMRAQCLNYXIQ-VIFPVBQESA-N 0 3 222.354 0.785 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1CCC1CC1 ZINC000840207200 586545567 /nfs/dbraw/zinc/54/55/67/586545567.db2.gz 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243.307 0.344 20 0 BCADHN CC(C)c1nc(S(=O)(=O)[N-]CCC[NH3+])c[nH]1 ZINC000842679089 586606826 /nfs/dbraw/zinc/60/68/26/586606826.db2.gz JYNPDKLPHKDMTF-UHFFFAOYSA-N 0 3 246.336 0.160 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3=COCCC3)[C@@H]2C1 ZINC000814144081 586614119 /nfs/dbraw/zinc/61/41/19/586614119.db2.gz DRZLGIDBJCKGMK-ZYHUDNBSSA-N 0 3 236.315 0.843 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C2=COCCC2)C1 ZINC000814144077 586614305 /nfs/dbraw/zinc/61/43/05/586614305.db2.gz DRZLGIDBJCKGMK-JQWIXIFHSA-N 0 3 236.315 0.843 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3=COCC3)[C@@H]2C1 ZINC000814145217 586614490 /nfs/dbraw/zinc/61/44/90/586614490.db2.gz LYXCZNXNCBTZEV-MWLCHTKSSA-N 0 3 222.288 0.453 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CC3=CCCOC3)C[C@@H]21 ZINC000814172728 586615291 /nfs/dbraw/zinc/61/52/91/586615291.db2.gz ARVXLRRYXGKEQN-GDNZZTSVSA-N 0 3 237.299 0.684 20 0 BCADHN CN1CC[C@H](NC(=S)NC2CCC2)C1 ZINC000814194741 586616526 /nfs/dbraw/zinc/61/65/26/586616526.db2.gz BHQGGFBHWJBLLP-VIFPVBQESA-N 0 3 213.350 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C[NH+]1CCC(O[N-]C(=O)C[C@@H]2CCOC2)CC1 ZINC000816533154 586739360 /nfs/dbraw/zinc/73/93/60/586739360.db2.gz KQFMPIAEVVIPFP-JTQLQIEISA-N 0 3 242.319 0.555 20 0 BCADHN C/C=C(/CC)C(=O)N[C@H](CO)CN(C)C ZINC000816618525 586744641 /nfs/dbraw/zinc/74/46/41/586744641.db2.gz ZXVWUWXQOQCVQQ-BSKOKIOFSA-N 0 3 214.309 0.381 20 0 BCADHN CCN1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC000816837048 586767858 /nfs/dbraw/zinc/76/78/58/586767858.db2.gz IXZFKHYZRGFRCT-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN CN(C)C1(C(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)CCC1 ZINC000816861021 586768761 /nfs/dbraw/zinc/76/87/61/586768761.db2.gz HQRYYHHTWNOBRJ-URLYPYJESA-N 0 3 238.331 0.167 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3ccc(F)nc3)[C@@H]2C1 ZINC000816952857 586773858 /nfs/dbraw/zinc/77/38/58/586773858.db2.gz SWSOVFHGKLWGFG-WDEREUQCSA-N 0 3 249.289 0.997 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccc(F)nc3)[C@H]2C1 ZINC000816952855 586773946 /nfs/dbraw/zinc/77/39/46/586773946.db2.gz SWSOVFHGKLWGFG-MNOVXSKESA-N 0 3 249.289 0.997 20 0 BCADHN 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CCOC(=O)[C@H]1NCC[C@@H]1NCCSC ZINC000817894787 586833812 /nfs/dbraw/zinc/83/38/12/586833812.db2.gz OQQPUYUOWCNZBZ-IUCAKERBSA-N 0 3 232.349 0.233 20 0 BCADHN C[C@@H]1CC/C(=C/C(=O)NC[C@H]2CNCCO2)C1 ZINC000818012920 586864323 /nfs/dbraw/zinc/86/43/23/586864323.db2.gz YOIHIWWQLUWDRI-QESQTXLRSA-N 0 3 238.331 0.837 20 0 BCADHN CC(Cl)(Cl)C(=O)NC[C@H]1CNCCO1 ZINC000818011557 586864439 /nfs/dbraw/zinc/86/44/39/586864439.db2.gz IOINSMDLMKVCRY-ZCFIWIBFSA-N 0 3 241.118 0.285 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2C[C@@H]2N)CCCO1 ZINC000818131653 586876187 /nfs/dbraw/zinc/87/61/87/586876187.db2.gz ROUKGGFGJIYPGV-BDAKNGLRSA-N 0 3 212.293 0.361 20 0 BCADHN C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@@H]1C[C@@H]1N ZINC000818141365 586876696 /nfs/dbraw/zinc/87/66/96/586876696.db2.gz NIDJFKXMMWIAQC-XEZLXBQYSA-N 0 3 248.326 0.962 20 0 BCADHN CCNCC(=O)NCCCN1CCCCC1=O ZINC000818468747 586893060 /nfs/dbraw/zinc/89/30/60/586893060.db2.gz BZFYNXHCUKYWEB-UHFFFAOYSA-N 0 3 241.335 0.115 20 0 BCADHN CS[C@H]1CC[C@@H](NC(=O)[C@@H](C)N)C1 ZINC000119351522 589272742 /nfs/dbraw/zinc/27/27/42/589272742.db2.gz PCZFERZCXDYWQN-PRJMDXOYSA-N 0 3 202.323 0.734 20 0 BCADHN CCNCC(=O)N1CCn2c3ccccc3nc21 ZINC000818476404 586894386 /nfs/dbraw/zinc/89/43/86/586894386.db2.gz NISQURKACWOTPU-UHFFFAOYSA-N 0 3 244.298 0.992 20 0 BCADHN CCNCC(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000818499143 586894397 /nfs/dbraw/zinc/89/43/97/586894397.db2.gz KWOPOJYGLISYAH-UHFFFAOYSA-N 0 3 235.287 0.642 20 0 BCADHN CCNCC(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000818481907 586894457 /nfs/dbraw/zinc/89/44/57/586894457.db2.gz LTEICKQOUZTNMP-SNVBAGLBSA-N 0 3 249.314 0.739 20 0 BCADHN CNC(=O)c1cc(C)ccc1NC(=O)[C@H]1CCN1 ZINC000818513209 586895714 /nfs/dbraw/zinc/89/57/14/586895714.db2.gz IUFWUSPUTCLYGA-LLVKDONJSA-N 0 3 247.298 0.655 20 0 BCADHN CCNCC(=O)NCCCNC(=O)C1CCC1 ZINC000818501586 586895757 /nfs/dbraw/zinc/89/57/57/586895757.db2.gz BRVMEILIEXFXNY-UHFFFAOYSA-N 0 3 241.335 0.019 20 0 BCADHN CCNCC(=O)NC(CC)(CC)CC(=O)OC ZINC000818500785 586895776 /nfs/dbraw/zinc/89/57/76/586895776.db2.gz CFFCDMAVIUAICK-UHFFFAOYSA-N 0 3 244.335 0.834 20 0 BCADHN CCNCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000818501661 586895857 /nfs/dbraw/zinc/89/58/57/586895857.db2.gz GGRSZRFHOXDVRD-JMJZKYOTSA-N 0 3 226.320 0.526 20 0 BCADHN CCNCC(=O)N1CCOC[C@@H]1CC(C)C ZINC000818503010 586895955 /nfs/dbraw/zinc/89/59/55/586895955.db2.gz DBTDHWCGGVLPSZ-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CCNCC(=O)N[C@H](C)C(=O)N[C@@H](C)CC ZINC000818515085 586896793 /nfs/dbraw/zinc/89/67/93/586896793.db2.gz DWUWKWRBJTWQJX-DTWKUNHWSA-N 0 3 229.324 0.015 20 0 BCADHN CN(CCC(=O)C1CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859962055 589073681 /nfs/dbraw/zinc/07/36/81/589073681.db2.gz FJNCJZWUGSLOBA-AOOOYVTPSA-N 0 3 224.304 0.551 20 0 BCADHN CCNCC(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000818606982 586905547 /nfs/dbraw/zinc/90/55/47/586905547.db2.gz QDAHRXYIVABCQE-QWRGUYRKSA-N 0 3 228.336 0.916 20 0 BCADHN CCc1cc(NC(=O)C2(N)CC2)nn1C ZINC000818613021 586906684 /nfs/dbraw/zinc/90/66/84/586906684.db2.gz BLUDHDCVEFRLEL-UHFFFAOYSA-N 0 3 208.265 0.412 20 0 BCADHN CCNCC(=O)N1CCNC[C@H]1c1ccncc1 ZINC000818613874 586906738 /nfs/dbraw/zinc/90/67/38/586906738.db2.gz HDULADRLBOGYMP-LBPRGKRZSA-N 0 3 248.330 0.164 20 0 BCADHN CCNCC(=O)N1CCNC[C@@H]1c1ccncc1 ZINC000818613873 586906793 /nfs/dbraw/zinc/90/67/93/586906793.db2.gz HDULADRLBOGYMP-GFCCVEGCSA-N 0 3 248.330 0.164 20 0 BCADHN CCc1cc(NC(=O)CNC2CC2)nn1C ZINC000818613445 586906895 /nfs/dbraw/zinc/90/68/95/586906895.db2.gz PHVKBBQROPKGPR-UHFFFAOYSA-N 0 3 222.292 0.673 20 0 BCADHN CCNCC(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000818613458 586906967 /nfs/dbraw/zinc/90/69/67/586906967.db2.gz QBAUQARONGBVFT-SNVBAGLBSA-N 0 3 237.307 0.051 20 0 BCADHN CN(C[C@H]1C[C@@H](O)C1)CC1OCCO1 ZINC000859971871 589074374 /nfs/dbraw/zinc/07/43/74/589074374.db2.gz RQNPVODPATXRRE-DTORHVGOSA-N 0 3 201.266 0.062 20 0 BCADHN C/C=C/C(=O)Nc1ccnn1CCN(C)C ZINC000818936963 586915771 /nfs/dbraw/zinc/91/57/71/586915771.db2.gz CSABDKLQEWYHNU-SNAWJCMRSA-N 0 3 222.292 0.959 20 0 BCADHN COc1cc(CNC[C@H](O)C2CC2)ccn1 ZINC000818946521 586916786 /nfs/dbraw/zinc/91/67/86/586916786.db2.gz QDSZJFSMJWJXOI-NSHDSACASA-N 0 3 222.288 0.951 20 0 BCADHN CON(C)C(=O)CCNCc1cccc(C)n1 ZINC000818965162 586918283 /nfs/dbraw/zinc/91/82/83/586918283.db2.gz FRZBXGWBDWXXDW-UHFFFAOYSA-N 0 3 237.303 0.890 20 0 BCADHN CN(C)CCNC(=S)N[C@@H]1CC12CC2 ZINC000819025313 586925161 /nfs/dbraw/zinc/92/51/61/586925161.db2.gz MVBAVTBCPGFBSQ-MRVPVSSYSA-N 0 3 213.350 0.565 20 0 BCADHN CC[C@@H](CN1CCCC1)NCCS(C)(=O)=O ZINC000819078572 586928843 /nfs/dbraw/zinc/92/88/43/586928843.db2.gz JUNBOZSWBYATPC-NSHDSACASA-N 0 3 248.392 0.495 20 0 BCADHN CCOC[C@@H](O)CNCCOc1cccnc1 ZINC000819070085 586929205 /nfs/dbraw/zinc/92/92/05/586929205.db2.gz UXINXWYRAAZUDE-NSHDSACASA-N 0 3 240.303 0.447 20 0 BCADHN CC(C)(C)N1C[C@@H](NC[C@@H](O)C2CC2)CC1=O ZINC000819125227 586931871 /nfs/dbraw/zinc/93/18/71/586931871.db2.gz CQBKPUUWZWRMGC-WDEREUQCSA-N 0 3 240.347 0.746 20 0 BCADHN CN(CCNC(=O)/C=C\[C@H]1CCCO1)C1CC1 ZINC000819160478 586934435 /nfs/dbraw/zinc/93/44/35/586934435.db2.gz GDRRSXRYUKOKCU-ZHRWSRJISA-N 0 3 238.331 0.932 20 0 BCADHN CC[C@@H](NCCS(C)(=O)=O)[C@H]1CCCO1 ZINC000819190047 586937564 /nfs/dbraw/zinc/93/75/64/586937564.db2.gz ZDOHRFRQCHSITR-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN CC1(CCNC[C@H](O)C(F)(F)F)OCCO1 ZINC000819227018 586939162 /nfs/dbraw/zinc/93/91/62/586939162.db2.gz DNKGDRMOXIHUIN-ZETCQYMHSA-N 0 3 243.225 0.652 20 0 BCADHN CC(=O)Nc1ccc(CNC[C@@H](O)C2CC2)cn1 ZINC000819272339 586945870 /nfs/dbraw/zinc/94/58/70/586945870.db2.gz SETQTKRSWZXVSK-GFCCVEGCSA-N 0 3 249.314 0.901 20 0 BCADHN CC(=O)Nc1ccc(CNC[C@H](O)C2CC2)cn1 ZINC000819272340 586945969 /nfs/dbraw/zinc/94/59/69/586945969.db2.gz SETQTKRSWZXVSK-LBPRGKRZSA-N 0 3 249.314 0.901 20 0 BCADHN O[C@H](CN[C@H]1[C@@H]2COC[C@@H]21)c1ccc(F)cn1 ZINC000819277817 586947299 /nfs/dbraw/zinc/94/72/99/586947299.db2.gz GTBWBEOXULDXDH-DMWPJOQESA-N 0 3 238.262 0.489 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)/C=C/[C@@H]1CCCO1 ZINC000819281488 586947669 /nfs/dbraw/zinc/94/76/69/586947669.db2.gz VDCZLYXJQKPSCQ-JIVBQCDMSA-N 0 3 238.331 0.932 20 0 BCADHN O=c1ccc(CNCC2(O)CCCCC2)n[nH]1 ZINC000819337823 586954104 /nfs/dbraw/zinc/95/41/04/586954104.db2.gz QEPGTMDFIGHAOJ-UHFFFAOYSA-N 0 3 237.303 0.967 20 0 BCADHN COCC1(CNCCS(C)(=O)=O)CCCC1 ZINC000819358003 586956358 /nfs/dbraw/zinc/95/63/58/586956358.db2.gz YXYNYNFCGIQZRD-UHFFFAOYSA-N 0 3 249.376 0.827 20 0 BCADHN COC1([C@H](C)NCCS(C)(=O)=O)CCC1 ZINC000819369243 586957463 /nfs/dbraw/zinc/95/74/63/586957463.db2.gz WQRVHKBVPSLBJU-VIFPVBQESA-N 0 3 235.349 0.578 20 0 BCADHN CC(C)(CNCCS(C)(=O)=O)OCC1CC1 ZINC000819370797 586958297 /nfs/dbraw/zinc/95/82/97/586958297.db2.gz DIKCOVVRSFWVGA-UHFFFAOYSA-N 0 3 249.376 0.826 20 0 BCADHN CC(C)N(C)CC(=O)N1CCCN(C=O)CC1 ZINC000819435674 586964089 /nfs/dbraw/zinc/96/40/89/586964089.db2.gz CJPJDAGURAGFSG-UHFFFAOYSA-N 0 3 241.335 0.017 20 0 BCADHN CN(C)CCONC(=O)/C=C\[C@@H]1CCCO1 ZINC000819546307 586976892 /nfs/dbraw/zinc/97/68/92/586976892.db2.gz UHWMYYBGVCXXAP-OMMCCPJFSA-N 0 3 228.292 0.331 20 0 BCADHN CO[C@@H](C)CC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000819717523 586988315 /nfs/dbraw/zinc/98/83/15/586988315.db2.gz HBQVATIUBBJUEQ-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN O=C(/C=C\C1CC1)N[C@H](CO)CN1CCCC1 ZINC000819838356 586999447 /nfs/dbraw/zinc/99/94/47/586999447.db2.gz YQZUULOBCQESJQ-FJOGCWAESA-N 0 3 238.331 0.526 20 0 BCADHN CCn1nc(C)c(CNC(=O)[C@@H](N)C(C)C)n1 ZINC000819931777 587003384 /nfs/dbraw/zinc/00/33/84/587003384.db2.gz ULQQEGDMYKLGJP-JTQLQIEISA-N 0 3 239.323 0.206 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H](C)O ZINC000820001844 587012138 /nfs/dbraw/zinc/01/21/38/587012138.db2.gz ANQCXLYMLJEGRQ-MNOVXSKESA-N 0 3 228.336 0.698 20 0 BCADHN Cc1cccc(CN2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC000860159397 589083530 /nfs/dbraw/zinc/08/35/30/589083530.db2.gz GWQHUZODTXFZBY-ZYHUDNBSSA-N 0 3 232.283 0.995 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)CN2CCCC2)CCN1C ZINC000820257957 587038662 /nfs/dbraw/zinc/03/86/62/587038662.db2.gz GQGSHWAOQPIQSX-RYUDHWBXSA-N 0 3 239.363 0.681 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)CN2CCCC2)CCN1C ZINC000820257958 587039049 /nfs/dbraw/zinc/03/90/49/587039049.db2.gz GQGSHWAOQPIQSX-VXGBXAGGSA-N 0 3 239.363 0.681 20 0 BCADHN C[C@@H](CO)[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000820288980 587041503 /nfs/dbraw/zinc/04/15/03/587041503.db2.gz ZNUQNTJFBCYPBK-LURJTMIESA-N 0 3 239.304 0.399 20 0 BCADHN C[C@@H](CO)[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000820288980 587041506 /nfs/dbraw/zinc/04/15/06/587041506.db2.gz ZNUQNTJFBCYPBK-LURJTMIESA-N 0 3 239.304 0.399 20 0 BCADHN O=C1OC[C@@H]2CN(CCc3ccccn3)C[C@H]12 ZINC000860157497 589082780 /nfs/dbraw/zinc/08/27/80/589082780.db2.gz WYDSTRKGYJPMHY-JQWIXIFHSA-N 0 3 232.283 0.729 20 0 BCADHN O=C1OC[C@@H]2CN(Cc3cccnc3)C[C@H]12 ZINC000860159768 589083791 /nfs/dbraw/zinc/08/37/91/589083791.db2.gz PICHSDDMZPISQM-QWRGUYRKSA-N 0 3 218.256 0.686 20 0 BCADHN C[C@H](NCCCn1ccnc1)c1cnnn1C ZINC000820806030 587073361 /nfs/dbraw/zinc/07/33/61/587073361.db2.gz YIJDWEHOEWXGED-JTQLQIEISA-N 0 3 234.307 0.753 20 0 BCADHN CC[C@@H](COC)N[C@H](C)c1cnnn1C ZINC000820811786 587074327 /nfs/dbraw/zinc/07/43/27/587074327.db2.gz WDLHHYGZYIEGOY-BDAKNGLRSA-N 0 3 212.297 0.891 20 0 BCADHN C[C@H](NCCc1ccnn1C)c1cnnn1C ZINC000820841008 587076449 /nfs/dbraw/zinc/07/64/49/587076449.db2.gz GEMYFBQZHYVHOP-VIFPVBQESA-N 0 3 234.307 0.442 20 0 BCADHN C[C@@H](N[C@@H]1CCCC[C@H]1O)c1cnnn1C ZINC000820842553 587076493 /nfs/dbraw/zinc/07/64/93/587076493.db2.gz VOOKNVXKGBRHSN-FXPVBKGRSA-N 0 3 224.308 0.769 20 0 BCADHN C[C@H](N[C@@H]1CCCC[C@H]1O)c1cnnn1C ZINC000820842554 587076688 /nfs/dbraw/zinc/07/66/88/587076688.db2.gz VOOKNVXKGBRHSN-IQJOONFLSA-N 0 3 224.308 0.769 20 0 BCADHN Cc1cncc(CN2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000860164885 589084861 /nfs/dbraw/zinc/08/48/61/589084861.db2.gz PHDLTPVUWXQGTB-VXGBXAGGSA-N 0 3 232.283 0.995 20 0 BCADHN O=C(CN1CCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000821024995 587089549 /nfs/dbraw/zinc/08/95/49/587089549.db2.gz FAWGSDPDFIELAE-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)N[C@@H]1C=CCC1 ZINC000821072388 587093240 /nfs/dbraw/zinc/09/32/40/587093240.db2.gz AWMPSYUJYKCGOW-PWSUYJOCSA-N 0 3 241.335 0.317 20 0 BCADHN C/C=C\C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000840457287 587104888 /nfs/dbraw/zinc/10/48/88/587104888.db2.gz WYFBYDYDPKIAAR-WPPTZLTKSA-N 0 3 226.320 0.526 20 0 BCADHN CCN1CCN(C(=O)CN2CCCC2)C[C@@H]1C ZINC000821301481 587106157 /nfs/dbraw/zinc/10/61/57/587106157.db2.gz SKWAAMJUGJKXSJ-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CC[C@@H]1CN(C)CCN1CC(OC)OC ZINC000821337402 587108871 /nfs/dbraw/zinc/10/88/71/587108871.db2.gz UTDDZHDGYANABQ-SNVBAGLBSA-N 0 3 216.325 0.631 20 0 BCADHN CC(C)N1CCN(C[C@H]2CCC(=O)O2)CC1 ZINC000821347013 587110741 /nfs/dbraw/zinc/11/07/41/587110741.db2.gz AYCZHPJYKQHQTD-LLVKDONJSA-N 0 3 226.320 0.718 20 0 BCADHN CN(C[C@H]1CCCO1)C[C@@H]1CCC(=O)O1 ZINC000821354651 587111023 /nfs/dbraw/zinc/11/10/23/587111023.db2.gz IKJFHQHZGCPXEE-ZJUUUORDSA-N 0 3 213.277 0.803 20 0 BCADHN C[C@@H](O)C1CCN(C[C@@H]2CCC(=O)O2)CC1 ZINC000821375460 587113629 /nfs/dbraw/zinc/11/36/29/587113629.db2.gz YHNRXUMJRRHEMI-KOLCDFICSA-N 0 3 227.304 0.785 20 0 BCADHN CC(=O)CCN(C)C(=O)C[C@H]1CCN(C)C1 ZINC000821395628 587116345 /nfs/dbraw/zinc/11/63/45/587116345.db2.gz XZWUCOZOOWZHQK-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN CCN(C(=O)[C@@H]1C[C@H]1OC)C1CCN(C)CC1 ZINC000821401085 587117273 /nfs/dbraw/zinc/11/72/73/587117273.db2.gz PMXHZUZCOPJNIM-VXGBXAGGSA-N 0 3 240.347 0.964 20 0 BCADHN CO[C@@H]1CCCN(C[C@H]2CCC(=O)O2)C1 ZINC000821401517 587117355 /nfs/dbraw/zinc/11/73/55/587117355.db2.gz FADSRHQRMVZXGV-NXEZZACHSA-N 0 3 213.277 0.803 20 0 BCADHN C[C@@H](NC[C@H]1CCC(=O)O1)c1cnn(C)c1 ZINC000821401996 587117479 /nfs/dbraw/zinc/11/74/79/587117479.db2.gz KLPBUZDJHQJVIJ-PSASIEDQSA-N 0 3 223.276 0.776 20 0 BCADHN CC1=NO[C@H](C(=O)NC[C@H](C)N(C)C)C1 ZINC000821522399 587122138 /nfs/dbraw/zinc/12/21/38/587122138.db2.gz ZYQAEAAWZNTLIM-IUCAKERBSA-N 0 3 213.281 0.218 20 0 BCADHN CC1=NO[C@H](C(=O)NC[C@@H](C)N(C)C)C1 ZINC000821522397 587125392 /nfs/dbraw/zinc/12/53/92/587125392.db2.gz ZYQAEAAWZNTLIM-BDAKNGLRSA-N 0 3 213.281 0.218 20 0 BCADHN C[C@H]1[C@H](C)N(C(=O)CN2CCCC2)CCN1C ZINC000821526599 587125973 /nfs/dbraw/zinc/12/59/73/587125973.db2.gz DTGUZSWOCYEVNH-RYUDHWBXSA-N 0 3 239.363 0.633 20 0 BCADHN COC(OC)C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000822008538 587149226 /nfs/dbraw/zinc/14/92/26/587149226.db2.gz USDWWVAFIQTBQI-JTQLQIEISA-N 0 3 244.335 0.594 20 0 BCADHN CCOCCO[N-]C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000822054572 587150422 /nfs/dbraw/zinc/15/04/22/587150422.db2.gz BITWQJCFBUDNAN-JTQLQIEISA-N 0 3 230.308 0.413 20 0 BCADHN CCOCCO[N-]C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000822054572 587150423 /nfs/dbraw/zinc/15/04/23/587150423.db2.gz BITWQJCFBUDNAN-JTQLQIEISA-N 0 3 230.308 0.413 20 0 BCADHN CC1=NO[C@@H](C(=O)NCCN2CCCCC2)C1 ZINC000822094226 587152253 /nfs/dbraw/zinc/15/22/53/587152253.db2.gz MJQCCINLVYAHMP-LLVKDONJSA-N 0 3 239.319 0.753 20 0 BCADHN O=C(C[NH+]1CCCC1)NC1(c2nnc[n-]2)CCC1 ZINC000822329437 587162853 /nfs/dbraw/zinc/16/28/53/587162853.db2.gz FPANQIIEXFKGHP-UHFFFAOYSA-N 0 3 249.318 0.396 20 0 BCADHN C[C@H](CNC(=O)c1ccc(C=O)n1C)N(C)C ZINC000822456592 587169481 /nfs/dbraw/zinc/16/94/81/587169481.db2.gz AYVFPTMFSZABEN-SECBINFHSA-N 0 3 237.303 0.518 20 0 BCADHN CS[C@@H]1CC[C@@H]1NC[C@@H](O)c1cnn(C)c1 ZINC000822462725 587169860 /nfs/dbraw/zinc/16/98/60/587169860.db2.gz BKADBXSTPAKGGH-HBNTYKKESA-N 0 3 241.360 0.937 20 0 BCADHN C[N@@H+]1CC[C@H](CC(=O)[N-]OCC(C)(C)O)C1 ZINC000822495155 587171672 /nfs/dbraw/zinc/17/16/72/587171672.db2.gz SXQXTMYNFSPYAG-SECBINFHSA-N 0 3 230.308 0.147 20 0 BCADHN C[N@H+]1CC[C@H](CC(=O)[N-]OCC(C)(C)O)C1 ZINC000822495155 587171674 /nfs/dbraw/zinc/17/16/74/587171674.db2.gz SXQXTMYNFSPYAG-SECBINFHSA-N 0 3 230.308 0.147 20 0 BCADHN C[C@H](O)CCNC1(C(N)=O)CCCC1 ZINC000822755060 587183995 /nfs/dbraw/zinc/18/39/95/587183995.db2.gz COUAOJGMMRTJLO-QMMMGPOBSA-N 0 3 200.282 0.145 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000822787031 587186200 /nfs/dbraw/zinc/18/62/00/587186200.db2.gz CAXMWGSAOUBYRR-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN CN(C)C1(CNC(=O)COC(F)(F)F)CC1 ZINC000822937568 587194698 /nfs/dbraw/zinc/19/46/98/587194698.db2.gz MJLJUQGLGIYTBZ-UHFFFAOYSA-N 0 3 240.225 0.733 20 0 BCADHN Cn1cc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)cn1 ZINC000823074686 587201259 /nfs/dbraw/zinc/20/12/59/587201259.db2.gz GFCWNAPRHIEORS-VDAHYXPESA-N 0 3 231.259 0.893 20 0 BCADHN CN1C[C@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C1 ZINC000823101862 587202641 /nfs/dbraw/zinc/20/26/41/587202641.db2.gz WKLJTARHKTWRQZ-VXGBXAGGSA-N 0 3 237.347 0.245 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@@H](O)C1CC1 ZINC000823189523 587207361 /nfs/dbraw/zinc/20/73/61/587207361.db2.gz GEIAULUPBRKLOY-NWDGAFQWSA-N 0 3 212.337 0.783 20 0 BCADHN C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H](C)N1C ZINC000823187325 587207760 /nfs/dbraw/zinc/20/77/60/587207760.db2.gz CCCCEPVPWZDMFK-TXEJJXNPSA-N 0 3 239.363 0.633 20 0 BCADHN CC[C@H]1CN(C)CCN1CC[C@H]1CCOC1=O ZINC000823199848 587208208 /nfs/dbraw/zinc/20/82/08/587208208.db2.gz IFEDHMIOTQMHMN-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CO)C1 ZINC000823222610 587209592 /nfs/dbraw/zinc/20/95/92/587209592.db2.gz NDBCJBQJQWUHHC-NSHDSACASA-N 0 3 234.299 0.498 20 0 BCADHN CC(C)O[N-]C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000823302079 587215093 /nfs/dbraw/zinc/21/50/93/587215093.db2.gz KHJSWNMEKOLMQV-SECBINFHSA-N 0 3 200.282 0.784 20 0 BCADHN CS[C@H](C)Cc1nc(N2CCNCC2)no1 ZINC000823330422 587216633 /nfs/dbraw/zinc/21/66/33/587216633.db2.gz OTQUTDBJOITOJZ-MRVPVSSYSA-N 0 3 242.348 0.773 20 0 BCADHN CC(C)[C@H](CO)O[N-]C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000823381312 587219128 /nfs/dbraw/zinc/21/91/28/587219128.db2.gz OLAXKSFCJGFVQP-MNOVXSKESA-N 0 3 244.335 0.393 20 0 BCADHN CC(C)[C@H](CO)O[N-]C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000823381312 587219129 /nfs/dbraw/zinc/21/91/29/587219129.db2.gz OLAXKSFCJGFVQP-MNOVXSKESA-N 0 3 244.335 0.393 20 0 BCADHN CC(=O)CCN1CCC[C@@H](n2ccnn2)C1 ZINC000823473631 587224586 /nfs/dbraw/zinc/22/45/86/587224586.db2.gz BTZGMFUCWDELTK-LLVKDONJSA-N 0 3 222.292 0.894 20 0 BCADHN OCC[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000823722424 587238164 /nfs/dbraw/zinc/23/81/64/587238164.db2.gz PIIXXOLLKMVTRS-UHFFFAOYSA-N 0 3 225.277 0.010 20 0 BCADHN OCC[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000823722424 587238165 /nfs/dbraw/zinc/23/81/65/587238165.db2.gz PIIXXOLLKMVTRS-UHFFFAOYSA-N 0 3 225.277 0.010 20 0 BCADHN O=C(C[NH+]1CCCC1)N1CC[C@H](c2nnc[n-]2)C1 ZINC000823769651 587240134 /nfs/dbraw/zinc/24/01/34/587240134.db2.gz SNECKTJWTYGARX-JTQLQIEISA-N 0 3 249.318 0.216 20 0 BCADHN O=C(CN1CCCC1)N1CC[C@H](c2nnc[nH]2)C1 ZINC000823769651 587240135 /nfs/dbraw/zinc/24/01/35/587240135.db2.gz SNECKTJWTYGARX-JTQLQIEISA-N 0 3 249.318 0.216 20 0 BCADHN CN(CC(=O)N[C@@H]1CC[C@H]1O)CC(C)(C)C ZINC000823794441 587240504 /nfs/dbraw/zinc/24/05/04/587240504.db2.gz REQMNNAIVXUAHB-NXEZZACHSA-N 0 3 228.336 0.604 20 0 BCADHN CCn1nc(C)c(CN[C@H]2CN(C)C[C@H]2C)n1 ZINC000823989751 587247908 /nfs/dbraw/zinc/24/79/08/587247908.db2.gz CIAOYQXBKNAZCR-SKDRFNHKSA-N 0 3 237.351 0.646 20 0 BCADHN CCn1nc(C)c(CN2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000824426680 587270150 /nfs/dbraw/zinc/27/01/50/587270150.db2.gz CCLZTFDVZNMYDB-YPMHNXCESA-N 0 3 249.362 0.742 20 0 BCADHN CC[C@H](C(=O)NCCCN(C)OC)N(C)C ZINC000824541665 587274781 /nfs/dbraw/zinc/27/47/81/587274781.db2.gz AGNQOEJJJMJJSO-SNVBAGLBSA-N 0 3 231.340 0.326 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NC/C=C\CO ZINC000824941245 587293961 /nfs/dbraw/zinc/29/39/61/587293961.db2.gz MUQZJSMMMYLSEN-DLRQAJBASA-N 0 3 226.320 0.524 20 0 BCADHN C[C@@H]1[C@H](O)CCN1CCNC(=O)OC(C)(C)C ZINC000825103396 587304175 /nfs/dbraw/zinc/30/41/75/587304175.db2.gz DTTYWJKESNYQCU-NXEZZACHSA-N 0 3 244.335 0.966 20 0 BCADHN CC(C)OC1CN(C(=O)C2CCN(C)CC2)C1 ZINC000825314145 587314172 /nfs/dbraw/zinc/31/41/72/587314172.db2.gz DNAROJHIWRGLFS-UHFFFAOYSA-N 0 3 240.347 0.964 20 0 BCADHN CN(Cc1cccnc1)C(=O)[C@@]1(F)CCNC1 ZINC000825525551 587323374 /nfs/dbraw/zinc/32/33/74/587323374.db2.gz GHZADJODGYSLTM-GFCCVEGCSA-N 0 3 237.278 0.742 20 0 BCADHN O=C(Cc1ncc[nH]1)N1CC[C@H](N2CCCC2)C1 ZINC000825555950 587325009 /nfs/dbraw/zinc/32/50/09/587325009.db2.gz MIDIBEYDLSSREN-NSHDSACASA-N 0 3 248.330 0.649 20 0 BCADHN CCC[C@H](O)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000825626478 587328041 /nfs/dbraw/zinc/32/80/41/587328041.db2.gz UVRQTASMGGHFKJ-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)N1CCCC[C@@H]1COC(=O)CC(N)=O ZINC000840497612 587333033 /nfs/dbraw/zinc/33/30/33/587333033.db2.gz ZEQMRJFAUAZCKJ-SNVBAGLBSA-N 0 3 242.319 0.668 20 0 BCADHN CON(C)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000825733073 587334854 /nfs/dbraw/zinc/33/48/54/587334854.db2.gz OTHOEOZXRXKSEE-JTQLQIEISA-N 0 3 226.251 0.888 20 0 BCADHN C[C@@H]1C[C@@H](NCCN(C)C(=O)[O-])CC[N@@H+]1C ZINC000825853023 587341765 /nfs/dbraw/zinc/34/17/65/587341765.db2.gz SPGRZNHLCVWYLY-ZJUUUORDSA-N 0 3 229.324 0.669 20 0 BCADHN C[C@@H]1C[C@@H](NCCN(C)C(=O)[O-])CC[N@H+]1C ZINC000825853023 587341766 /nfs/dbraw/zinc/34/17/66/587341766.db2.gz SPGRZNHLCVWYLY-ZJUUUORDSA-N 0 3 229.324 0.669 20 0 BCADHN C[C@H]1C[C@H](NCCN(C)C(=O)[O-])CC[N@@H+]1C ZINC000825853022 587341859 /nfs/dbraw/zinc/34/18/59/587341859.db2.gz SPGRZNHLCVWYLY-VHSXEESVSA-N 0 3 229.324 0.669 20 0 BCADHN C[C@H]1C[C@H](NCCN(C)C(=O)[O-])CC[N@H+]1C ZINC000825853022 587341861 /nfs/dbraw/zinc/34/18/61/587341861.db2.gz SPGRZNHLCVWYLY-VHSXEESVSA-N 0 3 229.324 0.669 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)[C@H](O)C1CCC1 ZINC000825891166 587344450 /nfs/dbraw/zinc/34/44/50/587344450.db2.gz FXQXQHJLJLGDKV-NWDGAFQWSA-N 0 3 242.363 0.850 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](O)C1 ZINC000826659214 587358072 /nfs/dbraw/zinc/35/80/72/587358072.db2.gz FIOKNRRFMYJOPR-DCAQKATOSA-N 0 3 226.320 0.499 20 0 BCADHN CCc1cc(NCC(=O)N(CC)OC)ccn1 ZINC000826744097 587361045 /nfs/dbraw/zinc/36/10/45/587361045.db2.gz FVNHQFGUCGPQRD-UHFFFAOYSA-N 0 3 237.303 0.888 20 0 BCADHN O=C1NCC[C@@H]1NC1CC(C(F)F)C1 ZINC000826773558 587361767 /nfs/dbraw/zinc/36/17/67/587361767.db2.gz BCMDBKZNNLLUON-AHXFUIDQSA-N 0 3 204.220 0.508 20 0 BCADHN CCCN1CCC([NH2+]C2CN(C(=O)[O-])C2)CC1 ZINC000826921446 587365711 /nfs/dbraw/zinc/36/57/11/587365711.db2.gz NOLKDGVABAORRV-UHFFFAOYSA-N 0 3 241.335 0.813 20 0 BCADHN CCC[C@H](O)C(=O)N1CCC(N2CCC2)CC1 ZINC000826929719 587365837 /nfs/dbraw/zinc/36/58/37/587365837.db2.gz ZOUZXCGFBBIPFW-LBPRGKRZSA-N 0 3 240.347 0.844 20 0 BCADHN O=C([C@H]1CCOC1)N1CCC(N2CCC2)CC1 ZINC000826929324 587365902 /nfs/dbraw/zinc/36/59/02/587365902.db2.gz XDJLQOLMYHSKSY-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N1CCC(N2CCC2)CC1 ZINC000826936969 587366052 /nfs/dbraw/zinc/36/60/52/587366052.db2.gz VXGUTCJHPKOHDR-VXGBXAGGSA-N 0 3 238.331 0.718 20 0 BCADHN CN(C(=O)Cc1ncc[nH]1)[C@H]1CCN(C2CC2)C1 ZINC000827280497 587375324 /nfs/dbraw/zinc/37/53/24/587375324.db2.gz FOKRGJNUXRCVGG-NSHDSACASA-N 0 3 248.330 0.647 20 0 BCADHN CNCC(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000827464212 587382060 /nfs/dbraw/zinc/38/20/60/587382060.db2.gz XOILKLZWXRECIB-UHFFFAOYSA-N 0 3 245.286 0.103 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NCc2cc(C)nn2C)C1 ZINC000827501642 587384021 /nfs/dbraw/zinc/38/40/21/587384021.db2.gz ZHKJWISQUFZYQI-AOOOYVTPSA-N 0 3 237.303 0.770 20 0 BCADHN C[C@]1(CN(CCO)CCO)CC1(Cl)Cl ZINC000827675751 587395744 /nfs/dbraw/zinc/39/57/44/587395744.db2.gz YQXJJPPPQFIJNA-MRVPVSSYSA-N 0 3 242.146 0.857 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H](O)CC(C)(C)C1)N(C)C ZINC000827697697 587395798 /nfs/dbraw/zinc/39/57/98/587395798.db2.gz FYGCDDHRQAQPEZ-QWRGUYRKSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000827712835 587398498 /nfs/dbraw/zinc/39/84/98/587398498.db2.gz QJBFFNVSBOJWCZ-LLVKDONJSA-N 0 3 242.363 0.946 20 0 BCADHN CCOC1CCN(CC[S@](C)=O)CC1 ZINC000827808303 587403769 /nfs/dbraw/zinc/40/37/69/587403769.db2.gz BWQNQNNWHNZCEH-AWEZNQCLSA-N 0 3 219.350 0.866 20 0 BCADHN C[S@@](=O)CCN1C[C@@H]2[C@H](C1)C2(C)C ZINC000827894417 587407533 /nfs/dbraw/zinc/40/75/33/587407533.db2.gz NGMSRYYJCWNMTC-VYUIOLGVSA-N 0 3 201.335 0.953 20 0 BCADHN CN(CC[S@](C)=O)C[C@H]1CCCOC1 ZINC000827913954 587407767 /nfs/dbraw/zinc/40/77/67/587407767.db2.gz UCLIPWLCNAOZDN-YGRLFVJLSA-N 0 3 219.350 0.723 20 0 BCADHN C[S@](=O)CCN1C[C@@H]2[C@H](C1)C2(C)C ZINC000827894416 587408379 /nfs/dbraw/zinc/40/83/79/587408379.db2.gz NGMSRYYJCWNMTC-RWEMILLDSA-N 0 3 201.335 0.953 20 0 BCADHN CN(CC[S@](C)=O)C[C@@H]1CCCOC1 ZINC000827913949 587410146 /nfs/dbraw/zinc/41/01/46/587410146.db2.gz UCLIPWLCNAOZDN-HZMBPMFUSA-N 0 3 219.350 0.723 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@@]2(F)CCNC2)n1 ZINC000827930317 587410373 /nfs/dbraw/zinc/41/03/73/587410373.db2.gz KTJDPILAGBCVQL-LHLIQPBNSA-N 0 3 242.254 0.257 20 0 BCADHN Cc1noc([C@H](C)NC(=O)[C@]2(F)CCNC2)n1 ZINC000827930436 587410811 /nfs/dbraw/zinc/41/08/11/587410811.db2.gz KTJDPILAGBCVQL-WKEGUHRASA-N 0 3 242.254 0.257 20 0 BCADHN C[C@@H]1C[C@H](N(C)CC[S@](C)=O)CCN1C ZINC000827976019 587414554 /nfs/dbraw/zinc/41/45/54/587414554.db2.gz NQLUFLLXRRXVAD-HFAKWTLXSA-N 0 3 232.393 0.779 20 0 BCADHN CCCONC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000828272196 587429819 /nfs/dbraw/zinc/42/98/19/587429819.db2.gz HFZHAZWFVANJKJ-SECBINFHSA-N 0 3 227.308 0.864 20 0 BCADHN CN1CCN(C(=O)[C@@H]2CCOC2)CCC1(C)C ZINC000828300615 587433086 /nfs/dbraw/zinc/43/30/86/587433086.db2.gz ZKKHXHNMHTWFQH-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CC[S@@](C)=O ZINC000828382359 587439358 /nfs/dbraw/zinc/43/93/58/587439358.db2.gz RSDZHFHAXSSOOH-QOBXEIRBSA-N 0 3 219.350 0.599 20 0 BCADHN C[S@@](=O)CCNC(C)(C)C(=O)N1CCCC1 ZINC000828456944 587443323 /nfs/dbraw/zinc/44/33/23/587443323.db2.gz KXLGPPHJZXLLHG-MRXNPFEDSA-N 0 3 246.376 0.356 20 0 BCADHN CN1CC[C@]2(CCN(CC[S@@](C)=O)C2)C1 ZINC000828571203 587451202 /nfs/dbraw/zinc/45/12/02/587451202.db2.gz NKEORHCIYXPVOG-XHDPSFHLSA-N 0 3 230.377 0.393 20 0 BCADHN CS[C@H]1CCN(CC[S@](C)=O)C1 ZINC000828587428 587452495 /nfs/dbraw/zinc/45/24/95/587452495.db2.gz HXGRTFRGZWZPLE-UFBFGSQYSA-N 0 3 207.364 0.802 20 0 BCADHN C[S@](=O)CCN1CCC[C@]2(CCOC2)C1 ZINC000828609979 587453621 /nfs/dbraw/zinc/45/36/21/587453621.db2.gz QSMWDHCVOYEXBR-NHYWBVRUSA-N 0 3 231.361 0.867 20 0 BCADHN CC(C)CC(=O)CCN1C[C@H](O)[C@@H](CO)C1 ZINC000828620505 587454674 /nfs/dbraw/zinc/45/46/74/587454674.db2.gz BNZYLFXCLNLKGH-PWSUYJOCSA-N 0 3 229.320 0.277 20 0 BCADHN C[S@](=O)CCN1CCC[C@@H](CCO)CC1 ZINC000828631431 587454929 /nfs/dbraw/zinc/45/49/29/587454929.db2.gz FIQMBSLKUFWSIL-ABAIWWIYSA-N 0 3 233.377 0.849 20 0 BCADHN CCCCN(CCCO)CC[S@](C)=O ZINC000828711464 587458358 /nfs/dbraw/zinc/45/83/58/587458358.db2.gz FHESRNCIBWTCSS-AWEZNQCLSA-N 0 3 221.366 0.849 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000828959402 587476162 /nfs/dbraw/zinc/47/61/62/587476162.db2.gz NCAXCXHUVZBFSQ-WISYIIOYSA-N 0 3 238.331 0.716 20 0 BCADHN O=C(NCCOCC1CC1)[C@]1(F)CCNC1 ZINC000828977422 587477135 /nfs/dbraw/zinc/47/71/35/587477135.db2.gz DQVDRDHDNWLLAN-NSHDSACASA-N 0 3 230.283 0.231 20 0 BCADHN C[C@@H]1CC[C@](CO)(N(C)CC[S@](C)=O)C1 ZINC000828992893 587478055 /nfs/dbraw/zinc/47/80/55/587478055.db2.gz YPPZMZLEIRBTSK-ZETOZRRWSA-N 0 3 233.377 0.848 20 0 BCADHN C[C@@H](CO)CN1CCC2(C1)OCCO2 ZINC000121383502 587494821 /nfs/dbraw/zinc/49/48/21/587494821.db2.gz YONIDGPZOHIWFS-SECBINFHSA-N 0 3 201.266 0.064 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)Cc2ncc[nH]2)C1 ZINC000829441839 587497396 /nfs/dbraw/zinc/49/73/96/587497396.db2.gz RRGLMMWOJAIKJB-SNVBAGLBSA-N 0 3 236.319 0.410 20 0 BCADHN C[C@]1(CNC(=O)[C@@]2(F)CCNC2)CCOC1 ZINC000829544298 587502842 /nfs/dbraw/zinc/50/28/42/587502842.db2.gz LNUMERNZPZYKAK-GHMZBOCLSA-N 0 3 230.283 0.231 20 0 BCADHN C[C@@]1(CNC(=O)[C@]2(F)CCNC2)CCOC1 ZINC000829544300 587503006 /nfs/dbraw/zinc/50/30/06/587503006.db2.gz LNUMERNZPZYKAK-QWRGUYRKSA-N 0 3 230.283 0.231 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1CC1CCC1 ZINC000829562156 587503220 /nfs/dbraw/zinc/50/32/20/587503220.db2.gz ZEHFUGLTMULFNF-ZETCQYMHSA-N 0 3 232.305 0.194 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCOc1cccnc1 ZINC000829636835 587507167 /nfs/dbraw/zinc/50/71/67/587507167.db2.gz KALNDURZLMLPAA-SNVBAGLBSA-N 0 3 249.314 0.717 20 0 BCADHN CC(=O)CCN1CC[C@H](CN2CCOC2=O)C1 ZINC000830095440 587535765 /nfs/dbraw/zinc/53/57/65/587535765.db2.gz QPHUDXFDNXANNM-NSHDSACASA-N 0 3 240.303 0.740 20 0 BCADHN C[C@H]1[C@H](NC(=O)COC(F)(F)F)CCN1C ZINC000830111300 587536252 /nfs/dbraw/zinc/53/62/52/587536252.db2.gz MCOOQOXFANNPDJ-NKWVEPMBSA-N 0 3 240.225 0.732 20 0 BCADHN CCC[C@H](O)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000830110544 587536277 /nfs/dbraw/zinc/53/62/77/587536277.db2.gz HDACSQADXOKYBO-AEJSXWLSSA-N 0 3 214.309 0.356 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCOC2)CCN1C ZINC000830110466 587536297 /nfs/dbraw/zinc/53/62/97/587536297.db2.gz GPFLBCOREHJBJR-UTLUCORTSA-N 0 3 212.293 0.232 20 0 BCADHN CCC[C@H](O)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000830110548 587536473 /nfs/dbraw/zinc/53/64/73/587536473.db2.gz HDACSQADXOKYBO-GUBZILKMSA-N 0 3 214.309 0.356 20 0 BCADHN CC(=O)NCCN(C)CC1(O)CCCCC1 ZINC000830124859 587537463 /nfs/dbraw/zinc/53/74/63/587537463.db2.gz BKBXWXSRGVHGPF-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN COC[C@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000830190084 587540667 /nfs/dbraw/zinc/54/06/67/587540667.db2.gz SLYLYIJZIALIBG-GXSJLCMTSA-N 0 3 230.283 0.183 20 0 BCADHN CC(C)N(C[C@H](O)CN1CCCC1)C1COC1 ZINC000830217312 587541813 /nfs/dbraw/zinc/54/18/13/587541813.db2.gz HFDRIIGPVMAFAE-CYBMUJFWSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@H]1CN(C(=O)CN(C)C(C)(C)C)CCO1 ZINC000830536691 587556647 /nfs/dbraw/zinc/55/66/47/587556647.db2.gz RPABDXSLJQGNSE-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN C[C@H](CO)CN1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000830584065 587558939 /nfs/dbraw/zinc/55/89/39/587558939.db2.gz BGFBBXWDZFLFLM-WDEREUQCSA-N 0 3 244.335 0.777 20 0 BCADHN O=C(N1C[C@H]2CC[C@@H](C1)O2)[C@]1(F)CCNC1 ZINC000830849212 587573645 /nfs/dbraw/zinc/57/36/45/587573645.db2.gz HTZBSTURCFKDKW-NGZCFLSTSA-N 0 3 228.267 0.078 20 0 BCADHN C[C@H](O)CCCN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830904939 587577061 /nfs/dbraw/zinc/57/70/61/587577061.db2.gz DOWYHVXTSPBCFT-AXFHLTTASA-N 0 3 242.319 0.578 20 0 BCADHN COCC[C@H](C)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830943283 587578589 /nfs/dbraw/zinc/57/85/89/587578589.db2.gz CONNRTVCJXMVPJ-AXFHLTTASA-N 0 3 242.319 0.842 20 0 BCADHN CCN(CCSC)[C@@H]1CCC(=O)NC1=O ZINC000830998997 587580953 /nfs/dbraw/zinc/58/09/53/587580953.db2.gz BOBNSKOGOOPPDF-MRVPVSSYSA-N 0 3 230.333 0.477 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@H]1CC2(CC2)C(=O)O1 ZINC000831007974 587582267 /nfs/dbraw/zinc/58/22/67/587582267.db2.gz PMAUVPRVWUELCI-GMTAPVOTSA-N 0 3 239.315 0.927 20 0 BCADHN CO[C@@H]1C[C@H](NC(=O)[C@]2(F)CCNC2)C1(C)C ZINC000831133327 587586830 /nfs/dbraw/zinc/58/68/30/587586830.db2.gz UZFWPOJVJSLDRP-SBMIAAHKSA-N 0 3 244.310 0.618 20 0 BCADHN CC[C@H](O)CCCNC(=O)[C@]1(F)CCNC1 ZINC000831161035 587588424 /nfs/dbraw/zinc/58/84/24/587588424.db2.gz NXKWNTAVBOLLKK-ONGXEEELSA-N 0 3 232.299 0.355 20 0 BCADHN C[C@H](C[C@H]1CCOC1)NC(=O)[C@]1(F)CCNC1 ZINC000831299205 587596501 /nfs/dbraw/zinc/59/65/01/587596501.db2.gz PFTUALGZMRPWDP-FOGDFJRCSA-N 0 3 244.310 0.619 20 0 BCADHN COCCC1(CNC(=O)[C@@]2(F)CCNC2)CC1 ZINC000831412415 587604567 /nfs/dbraw/zinc/60/45/67/587604567.db2.gz SAAXJHGNJJEBFD-GFCCVEGCSA-N 0 3 244.310 0.621 20 0 BCADHN CN(CCC1CC1)C(=O)[C@@]1(F)CCNC1 ZINC000831427907 587605865 /nfs/dbraw/zinc/60/58/65/587605865.db2.gz WXUOCLKRPPYFQD-LLVKDONJSA-N 0 3 214.284 0.947 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc[n+]([O-])cc1 ZINC000831539944 587617635 /nfs/dbraw/zinc/61/76/35/587617635.db2.gz BLSGSPPQTVWCFD-VHSXEESVSA-N 0 3 235.287 0.142 20 0 BCADHN C[C@@H]1CN(C(=O)c2ncccn2)[C@@H](C)CN1 ZINC000831539964 587617690 /nfs/dbraw/zinc/61/76/90/587617690.db2.gz CDCUEHJNROSHLJ-BDAKNGLRSA-N 0 3 220.276 0.299 20 0 BCADHN CCO[C@@H](CNC(=O)CCCF)CN(C)C ZINC000831702698 587627924 /nfs/dbraw/zinc/62/79/24/587627924.db2.gz NMCCFMIIGXZUNN-JTQLQIEISA-N 0 3 234.315 0.819 20 0 BCADHN CCO[C@@H](CNC(=O)[C@H](O)C(C)C)CN(C)C ZINC000831718008 587629009 /nfs/dbraw/zinc/62/90/09/587629009.db2.gz HZDCWBWQVZCSLW-WDEREUQCSA-N 0 3 246.351 0.086 20 0 BCADHN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@@]1(F)CCNC1 ZINC000831748913 587629974 /nfs/dbraw/zinc/62/99/74/587629974.db2.gz RLTUYEKXYBIZNQ-PKIKSRDPSA-N 0 3 212.268 0.603 20 0 BCADHN CCO[C@@H](CNC(=O)[C@@H]1CCOC1)CN(C)C ZINC000831758567 587630105 /nfs/dbraw/zinc/63/01/05/587630105.db2.gz ZLRPPTGHYRZXJQ-MNOVXSKESA-N 0 3 244.335 0.106 20 0 BCADHN CCO[C@@H](CNC(=O)c1cn[nH]c1)CN(C)C ZINC000831757079 587630233 /nfs/dbraw/zinc/63/02/33/587630233.db2.gz NJAQDHMFWAWTBD-JTQLQIEISA-N 0 3 240.307 0.106 20 0 BCADHN C[C@H]1CN(C[Si](C)(C)C)CC(=O)N1 ZINC000831763859 587630725 /nfs/dbraw/zinc/63/07/25/587630725.db2.gz OQMJOTGPAAHGAM-QMMMGPOBSA-N 0 3 200.358 0.684 20 0 BCADHN CCOCC(=O)NC[C@H](CN(C)C)OCC ZINC000831776847 587631165 /nfs/dbraw/zinc/63/11/65/587631165.db2.gz NLVJHHMWWLKHPK-SNVBAGLBSA-N 0 3 232.324 0.106 20 0 BCADHN CCO[C@H](CNC(=O)C1CCC1)CN(C)C ZINC000831777159 587631237 /nfs/dbraw/zinc/63/12/37/587631237.db2.gz SDKNLNJYZZVPRH-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@H](C)NC1CC1 ZINC000831916023 587636346 /nfs/dbraw/zinc/63/63/46/587636346.db2.gz FYDPGHGALMZATG-VIFPVBQESA-N 0 3 242.319 0.586 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@@H](C)NC1CC1 ZINC000831916022 587636376 /nfs/dbraw/zinc/63/63/76/587636376.db2.gz FYDPGHGALMZATG-SECBINFHSA-N 0 3 242.319 0.586 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1cnc(Cl)s1 ZINC000831933754 587637173 /nfs/dbraw/zinc/63/71/73/587637173.db2.gz QUWVITAJCMVTSM-NTSWFWBYSA-N 0 3 231.708 0.760 20 0 BCADHN O=C(N[C@H]1CCCC[C@@H]1O)[C@@]1(F)CCNC1 ZINC000831934115 587637299 /nfs/dbraw/zinc/63/72/99/587637299.db2.gz XTLVRUCFGHVAQX-ATZCPNFKSA-N 0 3 230.283 0.108 20 0 BCADHN CC(C)OCCNC(=O)[C@@]1(F)CCNC1 ZINC000831938821 587637644 /nfs/dbraw/zinc/63/76/44/587637644.db2.gz BRQYXABWJMTMGC-SNVBAGLBSA-N 0 3 218.272 0.229 20 0 BCADHN CC1=CCN(CCNC(=O)Cc2ncc[nH]2)CC1 ZINC000832207530 587650283 /nfs/dbraw/zinc/65/02/83/587650283.db2.gz NOOMVSSPICZYQM-UHFFFAOYSA-N 0 3 248.330 0.720 20 0 BCADHN C(C1OCCO1)N1CCC[C@]2(CCOC2)C1 ZINC000832349076 587655895 /nfs/dbraw/zinc/65/58/95/587655895.db2.gz ZMTXIKLAYSGJTL-LBPRGKRZSA-N 0 3 227.304 0.862 20 0 BCADHN C[C@H]1CN(C(=O)c2ccc(N)cc2[O-])CC[C@@H]1[NH3+] ZINC000832736833 587681577 /nfs/dbraw/zinc/68/15/77/587681577.db2.gz CPTSYVLRDREPAI-KWQFWETISA-N 0 3 249.314 0.784 20 0 BCADHN CC(C)N1CC[C@H](N(C)CC[S@@](C)=O)C1 ZINC000832779274 587688688 /nfs/dbraw/zinc/68/86/88/587688688.db2.gz XSUXUMQVLIYIQK-XHDPSFHLSA-N 0 3 232.393 0.779 20 0 BCADHN CC(C)N1CC[C@H](N(C)CC[S@](C)=O)C1 ZINC000832779272 587688994 /nfs/dbraw/zinc/68/89/94/587688994.db2.gz XSUXUMQVLIYIQK-NHYWBVRUSA-N 0 3 232.393 0.779 20 0 BCADHN C/C=C\C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000834568840 587759561 /nfs/dbraw/zinc/75/95/61/587759561.db2.gz DPNNVJBUZXVFQI-RNZFLTOJSA-N 0 3 226.320 0.478 20 0 BCADHN Cn1ncc(C(=O)NCC23CCCN2CCC3)n1 ZINC000834752862 587765737 /nfs/dbraw/zinc/76/57/37/587765737.db2.gz TWUFJPTTXKZQLL-UHFFFAOYSA-N 0 3 249.318 0.173 20 0 BCADHN CCC1(C(=O)N[C@@H]2CNCCC2(F)F)COC1 ZINC000834845965 587768535 /nfs/dbraw/zinc/76/85/35/587768535.db2.gz KUOBCKXIOBWXFN-MRVPVSSYSA-N 0 3 248.273 0.526 20 0 BCADHN CC(C)ONC(=O)NC[C@H]1CCCN(C)C1 ZINC000836347269 587831243 /nfs/dbraw/zinc/83/12/43/587831243.db2.gz DNWMSFWLUBGGSA-SNVBAGLBSA-N 0 3 229.324 0.967 20 0 BCADHN C[C@@H](CNC(=O)NOC/C=C\Cl)N(C)C ZINC000836467659 587833714 /nfs/dbraw/zinc/83/37/14/587833714.db2.gz KVZNGFSSJBTZIC-LGYSABEFSA-N 0 3 235.715 0.920 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC=CO3)C[C@@H]21 ZINC000836847940 587839519 /nfs/dbraw/zinc/83/95/19/587839519.db2.gz GRSNABAFLYTOJW-WOPDTQHZSA-N 0 3 236.315 0.842 20 0 BCADHN CC[C@@H](CO)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000837193634 587858884 /nfs/dbraw/zinc/85/88/84/587858884.db2.gz XVMULLJILPFGRN-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN Cc1nonc1C(=O)NC(C)(C)CN(C)C ZINC000837239343 587860578 /nfs/dbraw/zinc/86/05/78/587860578.db2.gz QJSBDPRYCNDBDB-UHFFFAOYSA-N 0 3 226.280 0.448 20 0 BCADHN CCn1ncc(C(=O)NC(C)(C)CN(C)C)n1 ZINC000837244950 587861118 /nfs/dbraw/zinc/86/11/18/587861118.db2.gz CIIKXSUUWKPACF-UHFFFAOYSA-N 0 3 239.323 0.368 20 0 BCADHN CO[C@H](C)COC(=O)C1CCCN(C)C1=O ZINC000837959932 587906065 /nfs/dbraw/zinc/90/60/65/587906065.db2.gz QKDVJXUDTZPSEC-BDAKNGLRSA-N 0 3 229.276 0.433 20 0 BCADHN COC[C@H](NCCS(=O)(=O)C1CC1)C(C)C ZINC000840879428 587923088 /nfs/dbraw/zinc/92/30/88/587923088.db2.gz OEAICAHPGDTKRN-NSHDSACASA-N 0 3 249.376 0.824 20 0 BCADHN C[C@H]1C[C@@H](NC(=S)NCCN(C)C)CS1 ZINC000840860076 587926019 /nfs/dbraw/zinc/92/60/19/587926019.db2.gz YLGKWYWKNGJQNU-DTWKUNHWSA-N 0 3 247.433 0.906 20 0 BCADHN C[C@H]1CC[C@@H]1NCCS(=O)(=O)C1CC1 ZINC000840882198 587928178 /nfs/dbraw/zinc/92/81/78/587928178.db2.gz GRNIWPOCCINJRM-WPRPVWTQSA-N 0 3 217.334 0.952 20 0 BCADHN CN(C)C1(CNC(=O)/C=C/c2cnn(C)c2)CC1 ZINC000841453532 587955311 /nfs/dbraw/zinc/95/53/11/587955311.db2.gz PVCOODIBVOHFRL-SNAWJCMRSA-N 0 3 248.330 0.644 20 0 BCADHN Nc1ccc(C(=O)NC2(C[NH3+])CCCC2)c([O-])c1 ZINC000841848498 587977127 /nfs/dbraw/zinc/97/71/27/587977127.db2.gz JLWLDIYSIFSNMK-UHFFFAOYSA-N 0 3 249.314 0.976 20 0 BCADHN CC[NH2+]CCNC(=O)c1ccc(N)cc1[O-] ZINC000841846295 587977509 /nfs/dbraw/zinc/97/75/09/587977509.db2.gz GQZKGSCQEDJAKS-UHFFFAOYSA-N 0 3 223.276 0.314 20 0 BCADHN CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(N)cc1[O-] ZINC000841848975 587977949 /nfs/dbraw/zinc/97/79/49/587977949.db2.gz YVAOJHXWRWPREY-JTQLQIEISA-N 0 3 237.303 0.688 20 0 BCADHN CC[C@H]([NH3+])CNC(=O)c1ccc(N)cc1[O-] ZINC000841852497 587978186 /nfs/dbraw/zinc/97/81/86/587978186.db2.gz LCZKOXJYHRKAJO-ZETCQYMHSA-N 0 3 223.276 0.442 20 0 BCADHN CCOCCONC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000841879675 587979973 /nfs/dbraw/zinc/97/99/73/587979973.db2.gz PQXBSTBIKLMUPS-ZJUUUORDSA-N 0 3 245.323 0.346 20 0 BCADHN C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CNCCO2)C1 ZINC000841883801 587980859 /nfs/dbraw/zinc/98/08/59/587980859.db2.gz GUSZXESDFZZEIV-VWYCJHECSA-N 0 3 241.335 0.463 20 0 BCADHN CSCCONC(=O)N1C[C@H](C)NC[C@H]1C ZINC000841889882 587981230 /nfs/dbraw/zinc/98/12/30/587981230.db2.gz HNDZXLQDTQVAIC-DTWKUNHWSA-N 0 3 247.364 0.673 20 0 BCADHN CCn1ncc(CNCC2(N(C)C)CC2)n1 ZINC000841891029 587981929 /nfs/dbraw/zinc/98/19/29/587981929.db2.gz XYJRQJSIYMKPAJ-UHFFFAOYSA-N 0 3 223.324 0.482 20 0 BCADHN CC[C@@H](C)CONC(=O)NCCNCCOC ZINC000841909779 587982718 /nfs/dbraw/zinc/98/27/18/587982718.db2.gz FLLXXLWNZGRFRJ-SNVBAGLBSA-N 0 3 247.339 0.499 20 0 BCADHN CC[C@@H](C)CONC(=O)NC[C@H]1CNCCO1 ZINC000841910794 587983956 /nfs/dbraw/zinc/98/39/56/587983956.db2.gz JHOPNXFCWZRHKZ-NXEZZACHSA-N 0 3 245.323 0.252 20 0 BCADHN CON(C)C(=O)NC[C@H](N)c1ccccc1 ZINC000841947169 587986283 /nfs/dbraw/zinc/98/62/83/587986283.db2.gz DRKMEMXSCTYLRK-JTQLQIEISA-N 0 3 223.276 0.889 20 0 BCADHN CCON(C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000842001903 587988516 /nfs/dbraw/zinc/98/85/16/587988516.db2.gz IOZBIIDUJSKSIQ-SSDOTTSWSA-N 0 3 237.250 0.577 20 0 BCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCC1CCC1 ZINC000842154526 588003650 /nfs/dbraw/zinc/00/36/50/588003650.db2.gz UNWVRAOZCMPBFL-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN CCCCC[C@H](C)NC(=O)C(=O)NC1CNC1 ZINC000842221070 588007047 /nfs/dbraw/zinc/00/70/47/588007047.db2.gz OUTJANYFEKMCNG-VIFPVBQESA-N 0 3 241.335 0.159 20 0 BCADHN CC(C)[C@@H](F)C(=O)NC[C@](C)(O)CCN(C)C ZINC000842251254 588007667 /nfs/dbraw/zinc/00/76/67/588007667.db2.gz OIDMAOONCAPNHZ-ZYHUDNBSSA-N 0 3 248.342 0.799 20 0 BCADHN CCCCC[C@@H](C)NC(=O)C(=O)NC1CNC1 ZINC000842221068 588007674 /nfs/dbraw/zinc/00/76/74/588007674.db2.gz OUTJANYFEKMCNG-SECBINFHSA-N 0 3 241.335 0.159 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N1CCCCCCC1 ZINC000842254128 588009369 /nfs/dbraw/zinc/00/93/69/588009369.db2.gz SGLXAAHCTAXASO-SNVBAGLBSA-N 0 3 241.335 0.243 20 0 BCADHN C[C@H]1CN(c2cc(Cl)nc(N)n2)CCN1 ZINC000842274818 588010880 /nfs/dbraw/zinc/01/08/80/588010880.db2.gz HNDNFEMZINXPEL-LURJTMIESA-N 0 3 227.699 0.510 20 0 BCADHN F[C@@]1(c2nc(-c3ncccn3)no2)CCNC1 ZINC000842570722 588043509 /nfs/dbraw/zinc/04/35/09/588043509.db2.gz GKFYCSRUTHEEEB-JTQLQIEISA-N 0 3 235.222 0.685 20 0 BCADHN c1nncn1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000842625887 588046275 /nfs/dbraw/zinc/04/62/75/588046275.db2.gz MCRIXIQWTWDNDU-ZJUUUORDSA-N 0 3 208.265 0.346 20 0 BCADHN C[C@@H]1C[C@@H]1N1C[C@H](N[C@@H]2CO[C@H](C)C2)CC1=O ZINC000842690273 588052723 /nfs/dbraw/zinc/05/27/23/588052723.db2.gz RAFLKBYYPCSRHJ-JCIQBVFBSA-N 0 3 238.331 0.763 20 0 BCADHN COC/C=C\C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000867306080 588067147 /nfs/dbraw/zinc/06/71/47/588067147.db2.gz COSZJXXWMXGKDL-WYGGZMRJSA-N 0 3 238.331 0.956 20 0 BCADHN CC[C@@H](C)[C@H](O)CNCCS(C)(=O)=O ZINC000843074902 588077728 /nfs/dbraw/zinc/07/77/28/588077728.db2.gz PRKSELKBRJZMFM-RKDXNWHRSA-N 0 3 223.338 0.028 20 0 BCADHN CCS(=O)(=O)CCN[C@H](CCO)C1CC1 ZINC000843076929 588079677 /nfs/dbraw/zinc/07/96/77/588079677.db2.gz MOTMVUYOTCQULU-SNVBAGLBSA-N 0 3 235.349 0.172 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1CCC[C@@H](CO)C1 ZINC000843080084 588079984 /nfs/dbraw/zinc/07/99/84/588079984.db2.gz GBBQRSCNBNBKAN-MNOVXSKESA-N 0 3 249.376 0.562 20 0 BCADHN Cc1ccc([C@@H](O)CNC[C@](C)(O)CO)cc1 ZINC000843081377 588080079 /nfs/dbraw/zinc/08/00/79/588080079.db2.gz QTENLCJGBVYSQU-STQMWFEESA-N 0 3 239.315 0.361 20 0 BCADHN COC[C@H](O)CNC[C@H](O)c1ccc(C)o1 ZINC000843084756 588080555 /nfs/dbraw/zinc/08/05/55/588080555.db2.gz CFRMMHGOVCONPS-ZJUUUORDSA-N 0 3 229.276 0.218 20 0 BCADHN O[C@@H](CN[C@@H]1C[C@H](O)C1)c1ccccc1 ZINC000843087345 588080583 /nfs/dbraw/zinc/08/05/83/588080583.db2.gz DMUKYXBFORVYJO-TUAOUCFPSA-N 0 3 207.273 0.833 20 0 BCADHN COC[C@H](O)CNC[C@@H](O)c1ccc(C)cc1 ZINC000843112096 588082296 /nfs/dbraw/zinc/08/22/96/588082296.db2.gz PEJBCQAKCXFKCV-CHWSQXEVSA-N 0 3 239.315 0.625 20 0 BCADHN C[C@@H](O)CN[C@H]1COc2ccccc2[C@H]1O ZINC000843115841 588082723 /nfs/dbraw/zinc/08/27/23/588082723.db2.gz JXCWLYQHJCUBJP-UBHAPETDSA-N 0 3 223.272 0.451 20 0 BCADHN C[C@@H](O)CN[C@@H]1COc2ccccc2[C@@H]1O ZINC000843115842 588082892 /nfs/dbraw/zinc/08/28/92/588082892.db2.gz JXCWLYQHJCUBJP-UISBYWKRSA-N 0 3 223.272 0.451 20 0 BCADHN C[C@@H](O)CN[C@@H]1COc2ccccc2[C@H]1O ZINC000843115836 588082985 /nfs/dbraw/zinc/08/29/85/588082985.db2.gz JXCWLYQHJCUBJP-HLUHBDAQSA-N 0 3 223.272 0.451 20 0 BCADHN CS(=O)(=O)CCN[C@@H](CO)CC1CCC1 ZINC000843119840 588083951 /nfs/dbraw/zinc/08/39/51/588083951.db2.gz YCFNPGZYDQGKMW-SNVBAGLBSA-N 0 3 235.349 0.172 20 0 BCADHN CCNCC(=O)NC[C@H](O)C1CCCCC1 ZINC000843390277 588105596 /nfs/dbraw/zinc/10/55/96/588105596.db2.gz RKKXOBMPTCVGHJ-NSHDSACASA-N 0 3 228.336 0.653 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CC[C@@H]1C ZINC000843431127 588106098 /nfs/dbraw/zinc/10/60/98/588106098.db2.gz XDODSQVLTNLBGU-DTWKUNHWSA-N 0 3 200.282 0.784 20 0 BCADHN CC[C@@](C)(NC(=O)[C@]1(F)CCNC1)C(=O)OC ZINC000843415667 588107241 /nfs/dbraw/zinc/10/72/41/588107241.db2.gz LWRLIQLCAJUVDQ-MNOVXSKESA-N 0 3 246.282 0.146 20 0 BCADHN CCOC1CC(NCC(=O)N(CC)OC)C1 ZINC000843431041 588109196 /nfs/dbraw/zinc/10/91/96/588109196.db2.gz VPXMNDWYHSBDOQ-UHFFFAOYSA-N 0 3 230.308 0.553 20 0 BCADHN CCNCC(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC000843437146 588109684 /nfs/dbraw/zinc/10/96/84/588109684.db2.gz XKYNPMRPCUTRCB-UHFFFAOYSA-N 0 3 249.314 0.502 20 0 BCADHN CCc1cc(CNC(=O)[C@H]2CCCCN2)[nH]n1 ZINC000843436839 588109693 /nfs/dbraw/zinc/10/96/93/588109693.db2.gz KRUFPVSXLXHBON-LLVKDONJSA-N 0 3 236.319 0.730 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cccc[n+]2[O-])[C@H]1C ZINC000843471953 588113455 /nfs/dbraw/zinc/11/34/55/588113455.db2.gz GUPUBJWNUKYCRS-ZJUUUORDSA-N 0 3 235.287 0.142 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2ccc[n+]([O-])c2)[C@H]1C ZINC000843472134 588113737 /nfs/dbraw/zinc/11/37/37/588113737.db2.gz KRZULZBIUVIJNY-UWVGGRQHSA-N 0 3 235.287 0.142 20 0 BCADHN CN(C(=O)c1ccc(N)cc1[O-])C1(C[NH3+])CCC1 ZINC000843485926 588114973 /nfs/dbraw/zinc/11/49/73/588114973.db2.gz WDQIBTNNQZMJGF-UHFFFAOYSA-N 0 3 249.314 0.928 20 0 BCADHN C[C@@H](NC(=O)CN)[C@H](O)c1ccc(F)cc1 ZINC000843492740 588115260 /nfs/dbraw/zinc/11/52/60/588115260.db2.gz GANJVMLANDGUJA-HQJQHLMTSA-N 0 3 226.251 0.323 20 0 BCADHN CCNCC(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC000843494229 588115349 /nfs/dbraw/zinc/11/53/49/588115349.db2.gz JGHMEPBACXPCEN-NSHDSACASA-N 0 3 228.336 0.509 20 0 BCADHN CCNCC(=O)N1CCCN(CC(F)F)CC1 ZINC000843495109 588115454 /nfs/dbraw/zinc/11/54/54/588115454.db2.gz PEXPUDHSLHQTOH-UHFFFAOYSA-N 0 3 249.305 0.395 20 0 BCADHN NCC(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000843495880 588115681 /nfs/dbraw/zinc/11/56/81/588115681.db2.gz UUCLCWDVQZABMY-UHFFFAOYSA-N 0 3 249.270 0.218 20 0 BCADHN CCNCC(=O)Nc1nc2cccnc2n1C ZINC000843499449 588115907 /nfs/dbraw/zinc/11/59/07/588115907.db2.gz PMVWGZOZTJGVNS-UHFFFAOYSA-N 0 3 233.275 0.516 20 0 BCADHN CCNCC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000843498949 588116383 /nfs/dbraw/zinc/11/63/83/588116383.db2.gz IYEXAEJVYXRAHJ-UHFFFAOYSA-N 0 3 235.287 0.281 20 0 BCADHN CCc1cc(NC(=O)[C@H](N)CC(F)F)nn1C ZINC000843501243 588116642 /nfs/dbraw/zinc/11/66/42/588116642.db2.gz GGADZCHAYYSSPF-SSDOTTSWSA-N 0 3 246.261 0.904 20 0 BCADHN COCCN1CCC(NC(=O)C2(F)CC2)CC1 ZINC000843778858 588139067 /nfs/dbraw/zinc/13/90/67/588139067.db2.gz SGTBXOSLIKEHPG-UHFFFAOYSA-N 0 3 244.310 0.716 20 0 BCADHN CN(C)CCN(CCN(C)C)C(=O)C1(F)CC1 ZINC000843788998 588140409 /nfs/dbraw/zinc/14/04/09/588140409.db2.gz QZSWRTPKHAYVRF-UHFFFAOYSA-N 0 3 245.342 0.440 20 0 BCADHN C[C@@H]1[C@H](C(=O)NCCC[S@@](C)=O)CCN1C ZINC000843794366 588140623 /nfs/dbraw/zinc/14/06/23/588140623.db2.gz PNQRHZIBMGKKME-XIZWVBILSA-N 0 3 246.376 0.211 20 0 BCADHN CC1(C)CN(C(=O)C2(F)CC2)CCN1 ZINC000843814908 588142488 /nfs/dbraw/zinc/14/24/88/588142488.db2.gz JUHGHOPTKSMDBH-UHFFFAOYSA-N 0 3 200.257 0.699 20 0 BCADHN C[C@@H]1[C@H](C(=O)NC2=NC[C@H](C)S2)CCN1C ZINC000843911267 588150040 /nfs/dbraw/zinc/15/00/40/588150040.db2.gz HZGZANSSPVPXJE-DJLDLDEBSA-N 0 3 241.360 0.934 20 0 BCADHN O=C(NCCNc1ccncc1)C1(F)CC1 ZINC000844130709 588169566 /nfs/dbraw/zinc/16/95/66/588169566.db2.gz GESGTUDNFYINSY-UHFFFAOYSA-N 0 3 223.251 0.534 20 0 BCADHN CN(C)CC[C@@](C)(O)CNC(=O)C1(F)CC1 ZINC000844139225 588170326 /nfs/dbraw/zinc/17/03/26/588170326.db2.gz MTLQBGYPMKIPFI-SNVBAGLBSA-N 0 3 232.299 0.307 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000844168077 588171624 /nfs/dbraw/zinc/17/16/24/588171624.db2.gz JBPOXGPVSFNHCO-SECBINFHSA-N 0 3 245.286 0.231 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000844169270 588171804 /nfs/dbraw/zinc/17/18/04/588171804.db2.gz VECDCGJVJJXWBB-SECBINFHSA-N 0 3 246.274 0.338 20 0 BCADHN CCNCC(=O)Nc1cnccc1OC ZINC000844177583 588171906 /nfs/dbraw/zinc/17/19/06/588171906.db2.gz LJJCSOGHYZECOQ-UHFFFAOYSA-N 0 3 209.249 0.638 20 0 BCADHN CCNCC(=O)NCc1ccc(N(C)C)nc1 ZINC000844172197 588171947 /nfs/dbraw/zinc/17/19/47/588171947.db2.gz REIKPZHTHSVFIT-UHFFFAOYSA-N 0 3 236.319 0.373 20 0 BCADHN CCNCC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000844178660 588172243 /nfs/dbraw/zinc/17/22/43/588172243.db2.gz GSKYKSRAMMLIPZ-UHFFFAOYSA-N 0 3 236.319 0.725 20 0 BCADHN CCNCC(=O)NC[C@H](C)Cn1ccnc1C ZINC000844173890 588172267 /nfs/dbraw/zinc/17/22/67/588172267.db2.gz CAIQGNFJACPEIV-JTQLQIEISA-N 0 3 238.335 0.553 20 0 BCADHN CCNCC(=O)Nc1ncccc1OC ZINC000844178153 588172357 /nfs/dbraw/zinc/17/23/57/588172357.db2.gz ZXMOCQKQRRHDQX-UHFFFAOYSA-N 0 3 209.249 0.638 20 0 BCADHN CC[C@H](N)C(=O)N(C)Cc1nnc2ccccn21 ZINC000844182264 588172538 /nfs/dbraw/zinc/17/25/38/588172538.db2.gz OCPMYHODKBIMIW-VIFPVBQESA-N 0 3 247.302 0.425 20 0 BCADHN Cn1cc(CCN2CCNC[C@@H]2C(F)F)cn1 ZINC000844224225 588174078 /nfs/dbraw/zinc/17/40/78/588174078.db2.gz NKUSBOATDZUVRH-SNVBAGLBSA-N 0 3 244.289 0.502 20 0 BCADHN C[C@H](O)CCN(C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844299544 588182586 /nfs/dbraw/zinc/18/25/86/588182586.db2.gz HYRPWPUCSRJZCY-GXSJLCMTSA-N 0 3 242.319 0.672 20 0 BCADHN C[C@@H](CO)N(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844310112 588182777 /nfs/dbraw/zinc/18/27/77/588182777.db2.gz PXWQDMCQKMODGA-WPRPVWTQSA-N 0 3 228.292 0.282 20 0 BCADHN C[C@@H]1CN(C[C@H]2CN(C3CC3)C(=O)O2)C[C@@H]1O ZINC000844316356 588183725 /nfs/dbraw/zinc/18/37/25/588183725.db2.gz MMYBSYSNOUFHRX-MIMYLULJSA-N 0 3 240.303 0.282 20 0 BCADHN CO[C@H](C)CN(C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844330486 588185878 /nfs/dbraw/zinc/18/58/78/588185878.db2.gz PGRNONARNJLINO-MWLCHTKSSA-N 0 3 242.319 0.936 20 0 BCADHN C[S@@](=O)CCN1CCC(C2(O)CC2)CC1 ZINC000844362756 588187802 /nfs/dbraw/zinc/18/78/02/588187802.db2.gz JXKQJWSDUPVCQH-OAHLLOKOSA-N 0 3 231.361 0.602 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1CCC(=O)C(C)C ZINC000844392642 588189412 /nfs/dbraw/zinc/18/94/12/588189412.db2.gz AKDWVJMAJSWIPY-WDEREUQCSA-N 0 3 229.320 0.683 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1CCC1OCCCO1 ZINC000844402826 588190191 /nfs/dbraw/zinc/19/01/91/588190191.db2.gz SQIKDDJZAORHMV-GHMZBOCLSA-N 0 3 245.319 0.221 20 0 BCADHN C[C@@H](CO)C1CCN(CC[S@](C)=O)CC1 ZINC000844415189 588191287 /nfs/dbraw/zinc/19/12/87/588191287.db2.gz PELUTYQJEHRXJN-BONVTDFDSA-N 0 3 233.377 0.705 20 0 BCADHN C[C@@H](CCO)N(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844452159 588195480 /nfs/dbraw/zinc/19/54/80/588195480.db2.gz UMQHTGWMLYGQIE-ONGXEEELSA-N 0 3 242.319 0.672 20 0 BCADHN FC1(F)[C@H]2CN(C[C@@H]3COCCO3)C[C@H]21 ZINC000844462745 588197240 /nfs/dbraw/zinc/19/72/40/588197240.db2.gz OKUMZISUBVGCDG-HLTSFMKQSA-N 0 3 219.231 0.599 20 0 BCADHN CN(C)CC[C@H](N)c1nc(N(C)C)no1 ZINC000844681573 588213300 /nfs/dbraw/zinc/21/33/00/588213300.db2.gz SDXGYAYVGXFKRZ-ZETCQYMHSA-N 0 3 213.285 0.087 20 0 BCADHN CN(CCN1C(=O)N[C@H](CCF)C1=O)C1CC1 ZINC000844723289 588215306 /nfs/dbraw/zinc/21/53/06/588215306.db2.gz WQCMYSAWFHAKIA-SECBINFHSA-N 0 3 243.282 0.361 20 0 BCADHN COC/C(C)=C/C(=O)NC1CCN(C)CC1 ZINC000845104988 588221541 /nfs/dbraw/zinc/22/15/41/588221541.db2.gz PVOBKRZWTTVULN-CSKARUKUSA-N 0 3 226.320 0.790 20 0 BCADHN COC/C(C)=C/C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000845291135 588226141 /nfs/dbraw/zinc/22/61/41/588226141.db2.gz PPAVAQWDZNZHPT-PFEDMVJOSA-N 0 3 238.331 0.932 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CCSC1 ZINC000846063345 588254859 /nfs/dbraw/zinc/25/48/59/588254859.db2.gz GOTQKAVCBPYNJC-QMMMGPOBSA-N 0 3 218.322 0.491 20 0 BCADHN CCON(C)C(=O)CN[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000846062873 588254973 /nfs/dbraw/zinc/25/49/73/588254973.db2.gz KXSFGKASEXVOCZ-URLYPYJESA-N 0 3 244.335 0.942 20 0 BCADHN CCON(C)C(=O)CNCc1[nH]ncc1C ZINC000846063386 588255086 /nfs/dbraw/zinc/25/50/86/588255086.db2.gz NMNJZKWBUPJQIC-UHFFFAOYSA-N 0 3 226.280 0.218 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CCO[C@@H](CC)C1 ZINC000846065449 588255155 /nfs/dbraw/zinc/25/51/55/588255155.db2.gz WAFWCCNPRQBZBA-MNOVXSKESA-N 0 3 244.335 0.944 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CCO[C@H](C)C1 ZINC000846065896 588255447 /nfs/dbraw/zinc/25/54/47/588255447.db2.gz VQCTVMLFCUOGNS-NXEZZACHSA-N 0 3 230.308 0.553 20 0 BCADHN COC/C(C)=C\C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000846212172 588260598 /nfs/dbraw/zinc/26/05/98/588260598.db2.gz BDSJIWMJSSJNAN-CIYHXPSUSA-N 0 3 238.331 0.742 20 0 BCADHN CC[C@H](C(=O)[N-]OC1CC[NH+](C)CC1)N(C)C ZINC000846648560 588280763 /nfs/dbraw/zinc/28/07/63/588280763.db2.gz ZVAXZTKCYHCDLR-LLVKDONJSA-N 0 3 243.351 0.469 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)CC(C)(C)O)CC1 ZINC000846650150 588280983 /nfs/dbraw/zinc/28/09/83/588280983.db2.gz RVCXBYSLXATDEB-UHFFFAOYSA-N 0 3 230.308 0.289 20 0 BCADHN COc1cncc(NC(=O)[C@H]2CCN(C)C2)n1 ZINC000846663303 588281358 /nfs/dbraw/zinc/28/13/58/588281358.db2.gz RPMNHARWHYWQBK-QMMMGPOBSA-N 0 3 236.275 0.375 20 0 BCADHN O=C(N1CCOCC12CCC2)[C@@]1(F)CCNC1 ZINC000846679349 588282158 /nfs/dbraw/zinc/28/21/58/588282158.db2.gz IXQXWGMTIRAEHC-GFCCVEGCSA-N 0 3 242.294 0.470 20 0 BCADHN CC(C)(N)C(=O)NC[C@](C)(O)c1ccsc1 ZINC000846683526 588282513 /nfs/dbraw/zinc/28/25/13/588282513.db2.gz IZVDSHDEUFTXRG-NSHDSACASA-N 0 3 242.344 0.809 20 0 BCADHN O=C(N[C@H]1CC=CCC1)[C@@]1(F)CCNC1 ZINC000846684744 588282689 /nfs/dbraw/zinc/28/26/89/588282689.db2.gz VYDAVDDQEWTKLM-GXSJLCMTSA-N 0 3 212.268 0.913 20 0 BCADHN CC[C@H](NC(=O)[C@@]1(F)CCNC1)[C@H]1CCCO1 ZINC000846684959 588282804 /nfs/dbraw/zinc/28/28/04/588282804.db2.gz WKBJXPCSIDHFNI-HOSYDEDBSA-N 0 3 244.310 0.762 20 0 BCADHN C[C@]1(CCNC(=O)CN)C[C@]1(F)Cl ZINC000846688074 588282833 /nfs/dbraw/zinc/28/28/33/588282833.db2.gz QZIVONXYFDKQFI-JGVFFNPUSA-N 0 3 208.664 0.766 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000846686477 588282863 /nfs/dbraw/zinc/28/28/63/588282863.db2.gz JWFVJNKLFWOSOS-MWLCHTKSSA-N 0 3 242.344 0.809 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@](C)(O)c1ccco1 ZINC000846687147 588282921 /nfs/dbraw/zinc/28/29/21/588282921.db2.gz NLPMNNXDIIQXOG-KCJUWKMLSA-N 0 3 226.276 0.341 20 0 BCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@]1(F)CCNC1 ZINC000846689663 588283040 /nfs/dbraw/zinc/28/30/40/588283040.db2.gz BJMMGBUFBTWBQA-SDNRWEOFSA-N 0 3 228.267 0.124 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)[C@@H](C)CO1 ZINC000846690014 588283069 /nfs/dbraw/zinc/28/30/69/588283069.db2.gz DXLUBKDRYYPVFH-HOSYDEDBSA-N 0 3 244.310 0.714 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)[C@@H](C)CO1 ZINC000846690875 588283142 /nfs/dbraw/zinc/28/31/42/588283142.db2.gz KTWSWKNHVOWTBP-JLIMGVALSA-N 0 3 212.293 0.360 20 0 BCADHN CCNCC(=O)N1C[C@@H](C)OCC12CCC2 ZINC000846695252 588283447 /nfs/dbraw/zinc/28/34/47/588283447.db2.gz AHDPYNHUJVSFPM-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CCNCC(=O)N[C@H](C)COCC1CC1 ZINC000846695281 588283536 /nfs/dbraw/zinc/28/35/36/588283536.db2.gz AZHXVPVTGMRZCU-SECBINFHSA-N 0 3 214.309 0.527 20 0 BCADHN CCN1C[C@@H](CN(C)C[C@@H]2CCOC2)OC1=O ZINC000846809790 588290554 /nfs/dbraw/zinc/29/05/54/588290554.db2.gz AVEKKKVJQNGKFR-WDEREUQCSA-N 0 3 242.319 0.795 20 0 BCADHN CCN(C[C@H]1CN(CC)C(=O)O1)[C@H](C)CO ZINC000846917039 588296592 /nfs/dbraw/zinc/29/65/92/588296592.db2.gz FJMZAYYBVFZYSI-ZJUUUORDSA-N 0 3 230.308 0.530 20 0 BCADHN CCN(C[C@H]1CN(CC)C(=O)O1)[C@@H](C)CO ZINC000846925031 588297326 /nfs/dbraw/zinc/29/73/26/588297326.db2.gz FJMZAYYBVFZYSI-UWVGGRQHSA-N 0 3 230.308 0.530 20 0 BCADHN OCC(CO)NC[C@@H]1CC1(Cl)Cl ZINC000846937760 588297468 /nfs/dbraw/zinc/29/74/68/588297468.db2.gz PHVBIMHXBTXDAR-YFKPBYRVSA-N 0 3 214.092 0.123 20 0 BCADHN CON1CCN(CCC2CCOCC2)CC1 ZINC000846971749 588299087 /nfs/dbraw/zinc/29/90/87/588299087.db2.gz OCUXCEXNAPTZFS-UHFFFAOYSA-N 0 3 228.336 0.982 20 0 BCADHN OC[C@@H]1CN(Cc2ccc3nonc3c2)C[C@H]1O ZINC000846990498 588300530 /nfs/dbraw/zinc/30/05/30/588300530.db2.gz JAWAZLUTKLPWHF-JOYOIKCWSA-N 0 3 249.270 0.008 20 0 BCADHN OC[C@H]1CCCCCN1CC1OCCO1 ZINC000847013743 588301484 /nfs/dbraw/zinc/30/14/84/588301484.db2.gz GYVRDKSELDTLGY-SNVBAGLBSA-N 0 3 215.293 0.596 20 0 BCADHN C[C@@H](O)CN(C[C@H]1CC2(CC2)C(=O)O1)C1CC1 ZINC000847104810 588306231 /nfs/dbraw/zinc/30/62/31/588306231.db2.gz KAUYSFWPJXJHKV-MWLCHTKSSA-N 0 3 239.315 0.927 20 0 BCADHN C[C@H](O)CN(C[C@H]1CC2(CC2)C(=O)O1)C1CC1 ZINC000847104803 588306267 /nfs/dbraw/zinc/30/62/67/588306267.db2.gz KAUYSFWPJXJHKV-GXSJLCMTSA-N 0 3 239.315 0.927 20 0 BCADHN CON(C)C(=O)c1ccn(CCN(C)C)n1 ZINC000847312224 588310634 /nfs/dbraw/zinc/31/06/34/588310634.db2.gz HSPBJNWNSCOSNQ-UHFFFAOYSA-N 0 3 226.280 0.078 20 0 BCADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H](C)N(C)C ZINC000847331627 588311220 /nfs/dbraw/zinc/31/12/20/588311220.db2.gz HCBCWQDOYKLXKV-LURJTMIESA-N 0 3 226.280 0.104 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1C[C@@H](C)OC1=O)N(C)C ZINC000848077633 588354973 /nfs/dbraw/zinc/35/49/73/588354973.db2.gz MXOYIOJRNQHYFM-IWSPIJDZSA-N 0 3 228.292 0.147 20 0 BCADHN CCO/C=C\C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000848120948 588358764 /nfs/dbraw/zinc/35/87/64/588358764.db2.gz SSAQCPJNEGWRJR-BHQLTRLXSA-N 0 3 224.304 0.699 20 0 BCADHN CN(C)C1(C(=O)N2Cc3cncnc3C2)CCC1 ZINC000848164757 588363017 /nfs/dbraw/zinc/36/30/17/588363017.db2.gz BVSMDAGJYVJCGM-UHFFFAOYSA-N 0 3 246.314 0.803 20 0 BCADHN CN(C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)C2)C1 ZINC000848295221 588371269 /nfs/dbraw/zinc/37/12/69/588371269.db2.gz LQGDUWRXWSQOFR-MXWKQRLJSA-N 0 3 238.331 0.812 20 0 BCADHN O=C(/C=C\C1CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306587 588371468 /nfs/dbraw/zinc/37/14/68/588371468.db2.gz TXBAYKCQXAFKGY-RRNNCXACSA-N 0 3 236.315 0.230 20 0 BCADHN CN[C@@H](C)C(=O)N(C)Cc1cccc(C(N)=O)c1 ZINC000848397724 588377141 /nfs/dbraw/zinc/37/71/41/588377141.db2.gz KCEDKSAUXBRJLV-VIFPVBQESA-N 0 3 249.314 0.352 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000848397499 588377383 /nfs/dbraw/zinc/37/73/83/588377383.db2.gz DGAPXZHWPBNXOR-VHSXEESVSA-N 0 3 236.315 0.964 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](CC(=O)OC)C1CC1 ZINC000848406072 588378183 /nfs/dbraw/zinc/37/81/83/588378183.db2.gz ICEPXKVYSOHPJY-CBAPKCEASA-N 0 3 228.292 0.052 20 0 BCADHN COCC1(CNC(=O)[C@@]2(F)CCNC2)CC1 ZINC000848433194 588384335 /nfs/dbraw/zinc/38/43/35/588384335.db2.gz FMNRSPMWQGHCTN-LLVKDONJSA-N 0 3 230.283 0.231 20 0 BCADHN Cn1c(Cl)ncc1CNCCOCCO ZINC000848526081 588393036 /nfs/dbraw/zinc/39/30/36/588393036.db2.gz VPYYFAWQEYTWQU-UHFFFAOYSA-N 0 3 233.699 0.172 20 0 BCADHN Cn1c(CNC[C@@H](O)C2CC2)cnc1Cl ZINC000848535329 588393578 /nfs/dbraw/zinc/39/35/78/588393578.db2.gz CCRYWJDENRKGEB-SECBINFHSA-N 0 3 229.711 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588456217 /nfs/dbraw/zinc/45/62/17/588456217.db2.gz OTUNLBREOKZOMR-ZETCQYMHSA-N 0 3 247.258 0.469 20 0 BCADHN CO[C@@H](C)CNC[C@@H](O)c1ccc(F)cn1 ZINC000849328066 588472959 /nfs/dbraw/zinc/47/29/59/588472959.db2.gz YPJONUORPQIUJA-GZMMTYOYSA-N 0 3 228.267 0.879 20 0 BCADHN CN1C[C@H]2CCN(C(=O)NCC(F)F)[C@@H]2C1 ZINC000849333368 588473328 /nfs/dbraw/zinc/47/33/28/588473328.db2.gz NQXDCQOSROFNKT-HTQZYQBOSA-N 0 3 233.262 0.597 20 0 BCADHN CC[S@@](=O)CCNCc1cnn2c1CCC2 ZINC000850131780 588520924 /nfs/dbraw/zinc/52/09/24/588520924.db2.gz WMEIHYFVBYRKSF-MRXNPFEDSA-N 0 3 241.360 0.688 20 0 BCADHN Cc1c[nH]c(CN[C@@H](CCO)C2CC2)n1 ZINC000850157968 588522042 /nfs/dbraw/zinc/52/20/42/588522042.db2.gz OLAGOICECHWXQD-JTQLQIEISA-N 0 3 209.293 0.969 20 0 BCADHN Cc1c[nH]c(CN[C@H](CCO)C2CC2)n1 ZINC000850157969 588522245 /nfs/dbraw/zinc/52/22/45/588522245.db2.gz OLAGOICECHWXQD-SNVBAGLBSA-N 0 3 209.293 0.969 20 0 BCADHN c1nn2c(c1CNCCc1cnccn1)CCC2 ZINC000850236671 588531015 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/nfs/dbraw/zinc/56/17/95/588561795.db2.gz YDQNRGCXECYSQE-GUBZILKMSA-N 0 3 209.293 0.902 20 0 BCADHN CC(C)(N)C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000850717056 588563034 /nfs/dbraw/zinc/56/30/34/588563034.db2.gz JZXNIJZOOFRZBM-XCBNKYQSSA-N 0 3 248.273 0.654 20 0 BCADHN CC[C@@](C)(CC(=O)OC)NC(=O)CNC(C)C ZINC000851629012 588611986 /nfs/dbraw/zinc/61/19/86/588611986.db2.gz RYWXUTULJIGUSB-LBPRGKRZSA-N 0 3 244.335 0.832 20 0 BCADHN CC[C@H](COCC1CC1)NC(=O)[C@@H]1C[C@@H]1N ZINC000851642270 588612734 /nfs/dbraw/zinc/61/27/34/588612734.db2.gz XHSLHSYQAUEMFB-MXWKQRLJSA-N 0 3 226.320 0.655 20 0 BCADHN CCNCC(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000851645034 588612896 /nfs/dbraw/zinc/61/28/96/588612896.db2.gz DIKYAEZWKHSOCY-LBPRGKRZSA-N 0 3 233.315 0.982 20 0 BCADHN CO[C@@H](C)CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851648767 588613080 /nfs/dbraw/zinc/61/30/80/588613080.db2.gz OCFSKWXYMPFWAH-DJLDLDEBSA-N 0 3 218.272 0.309 20 0 BCADHN N[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)CC[C@H]1F ZINC000851648406 588613100 /nfs/dbraw/zinc/61/31/00/588613100.db2.gz FJZLMMYKCYHKSN-HBNTYKKESA-N 0 3 244.310 0.843 20 0 BCADHN N[C@@H]1CN(C(=O)c2cnsn2)CC[C@H]1F ZINC000851648332 588613267 /nfs/dbraw/zinc/61/32/67/588613267.db2.gz CKYNVASAJZAAFN-PHDIDXHHSA-N 0 3 230.268 0.049 20 0 BCADHN CCN(C[C@@](O)(C(N)=O)c1ccccc1)C1CC1 ZINC000851726103 588617840 /nfs/dbraw/zinc/61/78/40/588617840.db2.gz LLLIJOQKYXMATI-AWEZNQCLSA-N 0 3 248.326 0.844 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C[C@@H]1COC(C)(C)O1 ZINC000851728166 588618359 /nfs/dbraw/zinc/61/83/59/588618359.db2.gz HILQZLBCUUHASD-VHSXEESVSA-N 0 3 245.319 0.879 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C[C@H]1COC(C)(C)O1 ZINC000851728165 588618438 /nfs/dbraw/zinc/61/84/38/588618438.db2.gz HILQZLBCUUHASD-UWVGGRQHSA-N 0 3 245.319 0.879 20 0 BCADHN OC[C@@H]1CCCCN1C[C@H](O)c1ccccn1 ZINC000851730084 588618835 /nfs/dbraw/zinc/61/88/35/588618835.db2.gz UMVHIWPWJLKQAA-AAEUAGOBSA-N 0 3 236.315 0.962 20 0 BCADHN O=C1CC[C@@H](CN2CCCC[C@@H]2CO)O1 ZINC000851729361 588619089 /nfs/dbraw/zinc/61/90/89/588619089.db2.gz LXSXDTZNWFVLQT-ZJUUUORDSA-N 0 3 213.277 0.539 20 0 BCADHN COCCCN(CCOC)C[C@@H]1CCC(=O)O1 ZINC000851732922 588619302 /nfs/dbraw/zinc/61/93/02/588619302.db2.gz DMTNFSNQZZRGRW-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN CCN(CC(=O)NC)[C@@H]1CC[C@@H](OC)C1 ZINC000851732982 588619313 /nfs/dbraw/zinc/61/93/13/588619313.db2.gz GHMDYKUKYHPIJG-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CCNC(=O)CN(C)[C@H]1CC[C@H](OC)C1 ZINC000851731570 588619400 /nfs/dbraw/zinc/61/94/00/588619400.db2.gz UORZXZXFYRBYAM-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CC1(C)OC[C@@H](CN2CCC[C@H]2CO)O1 ZINC000851752349 588623819 /nfs/dbraw/zinc/62/38/19/588623819.db2.gz GZSQKEFOKDYVCW-VHSXEESVSA-N 0 3 215.293 0.595 20 0 BCADHN COC(CCN(C)CCN1CCCC1=O)OC ZINC000851770661 588625317 /nfs/dbraw/zinc/62/53/17/588625317.db2.gz SSWDEKOTVOHWIB-UHFFFAOYSA-N 0 3 244.335 0.550 20 0 BCADHN O=C1CC[C@@H](CN2CCSC[C@@H]2CCO)O1 ZINC000851810133 588632316 /nfs/dbraw/zinc/63/23/16/588632316.db2.gz XJWNILYHCPCUGS-UWVGGRQHSA-N 0 3 245.344 0.492 20 0 BCADHN CN(CCOC(F)F)CC(C)(CO)CO ZINC000851819425 588633478 /nfs/dbraw/zinc/63/34/78/588633478.db2.gz VACJGRDLRSWXCF-UHFFFAOYSA-N 0 3 227.251 0.148 20 0 BCADHN CNC(=O)C1(NC[C@@H]2CCC(=O)O2)CCCC1 ZINC000851844144 588634735 /nfs/dbraw/zinc/63/47/35/588634735.db2.gz PTPAARMNMSZJNI-VIFPVBQESA-N 0 3 240.303 0.340 20 0 BCADHN Cn1ccnc1[C@H]1CCN(C[C@H]2CCC(=O)O2)C1 ZINC000851868828 588637267 /nfs/dbraw/zinc/63/72/67/588637267.db2.gz VRVVQUIHPBOYIE-WDEREUQCSA-N 0 3 249.314 0.915 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C[C@H](O)c1ccccn1 ZINC000851882507 588639491 /nfs/dbraw/zinc/63/94/91/588639491.db2.gz ZAJKFYYPUIVTIF-FOGDFJRCSA-N 0 3 222.288 0.570 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C[C@@H](O)c1ccccn1 ZINC000851882506 588639517 /nfs/dbraw/zinc/63/95/17/588639517.db2.gz ZAJKFYYPUIVTIF-CKYFFXLPSA-N 0 3 222.288 0.570 20 0 BCADHN CNC(=O)[C@@H](NCCOC(F)F)C(C)C ZINC000851902994 588642242 /nfs/dbraw/zinc/64/22/42/588642242.db2.gz QLHPNMYWWPACBR-ZETCQYMHSA-N 0 3 224.251 0.586 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(CCOC(F)F)C1 ZINC000851911901 588642717 /nfs/dbraw/zinc/64/27/17/588642717.db2.gz HAATVHYPBIFDLI-HTQZYQBOSA-N 0 3 209.236 0.928 20 0 BCADHN CN(CCOC(F)F)[C@]1(CO)CCOC1 ZINC000851917642 588643086 /nfs/dbraw/zinc/64/30/86/588643086.db2.gz JSYXBSUGKOPUAH-VIFPVBQESA-N 0 3 225.235 0.309 20 0 BCADHN CCN1CC[C@@H](N[C@@H](CCO)C2CC2)C1=O ZINC000851933700 588645540 /nfs/dbraw/zinc/64/55/40/588645540.db2.gz UDDOUQCAKHDWEU-WDEREUQCSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@H](NC[C@@H]1CCC(=O)O1)c1cn[nH]c1 ZINC000851934409 588645595 /nfs/dbraw/zinc/64/55/95/588645595.db2.gz AZXCQNIJMQUNAO-CBAPKCEASA-N 0 3 209.249 0.766 20 0 BCADHN C[C@H](NC[C@H]1CCC(=O)O1)c1cn[nH]c1 ZINC000851934410 588645608 /nfs/dbraw/zinc/64/56/08/588645608.db2.gz AZXCQNIJMQUNAO-IONNQARKSA-N 0 3 209.249 0.766 20 0 BCADHN CC(C)(CC(N)=O)NCc1cccc(F)n1 ZINC000851934961 588645832 /nfs/dbraw/zinc/64/58/32/588645832.db2.gz QJWBJHRNLZZDFD-UHFFFAOYSA-N 0 3 225.267 0.964 20 0 BCADHN COC(CCN1CCN2CCOC[C@@H]2C1)OC ZINC000851935872 588645940 /nfs/dbraw/zinc/64/59/40/588645940.db2.gz SWEJEOWNFRGJCQ-NSHDSACASA-N 0 3 244.335 0.012 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCN3CCOC[C@H]3C2)C1 ZINC000851934808 588645994 /nfs/dbraw/zinc/64/59/94/588645994.db2.gz GUZQOAQJCMLURE-YNEHKIRRSA-N 0 3 240.347 0.570 20 0 BCADHN CC1(CO)CCN(C[C@@H]2CCC(=O)O2)CC1 ZINC000851938405 588646128 /nfs/dbraw/zinc/64/61/28/588646128.db2.gz OZGDBZLEJHIUBG-JTQLQIEISA-N 0 3 227.304 0.786 20 0 BCADHN CN(CCN(C)C1CC1)Cc1cnon1 ZINC000851944639 588646667 /nfs/dbraw/zinc/64/66/67/588646667.db2.gz SKGKMCONWKYJFU-UHFFFAOYSA-N 0 3 210.281 0.596 20 0 BCADHN C[C@@H]1CN(C[C@H](O)c2ccccn2)CC[C@@H]1O ZINC000851956003 588647387 /nfs/dbraw/zinc/64/73/87/588647387.db2.gz ALYBMZZZASDKRY-WXHSDQCUSA-N 0 3 236.315 0.818 20 0 BCADHN C[C@H]1CN(CCOC(F)F)CC[C@H]1O ZINC000851958119 588647716 /nfs/dbraw/zinc/64/77/16/588647716.db2.gz XKWYWVHOQSSFAJ-JGVFFNPUSA-N 0 3 209.236 0.928 20 0 BCADHN C[C@@H]1CN(C[C@H]2COC(C)(C)O2)CC[C@@H]1O ZINC000851957056 588647925 /nfs/dbraw/zinc/64/79/25/588647925.db2.gz LBCWCUZVBVWSFP-VWYCJHECSA-N 0 3 229.320 0.841 20 0 BCADHN C[C@@H]1CCN(C[C@H](O)c2ccccn2)[C@@H]1CO ZINC000851971522 588649467 /nfs/dbraw/zinc/64/94/67/588649467.db2.gz INSYDRINCLBPDQ-RTXFEEFZSA-N 0 3 236.315 0.818 20 0 BCADHN C[C@@H]1CCN(CCOC(F)F)[C@H]1CO ZINC000851972437 588649479 /nfs/dbraw/zinc/64/94/79/588649479.db2.gz NQZQPHZBKJTLHJ-SFYZADRCSA-N 0 3 209.236 0.928 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@@H]1OC ZINC000851982639 588651503 /nfs/dbraw/zinc/65/15/03/588651503.db2.gz KBNPHBWYEIXWMF-BBBLOLIVSA-N 0 3 229.276 0.038 20 0 BCADHN CC1(C)CN(CCOC(F)F)C[C@H]1O ZINC000851997107 588653658 /nfs/dbraw/zinc/65/36/58/588653658.db2.gz HKFSAPZXAYQULQ-SSDOTTSWSA-N 0 3 209.236 0.928 20 0 BCADHN CN(CCOCCO)CCOC(F)F ZINC000852015097 588655278 /nfs/dbraw/zinc/65/52/78/588655278.db2.gz YETZXSYIBYYPSG-UHFFFAOYSA-N 0 3 213.224 0.166 20 0 BCADHN CC(C)N(CCOCCO)C[C@H]1CCC(=O)O1 ZINC000852020164 588655728 /nfs/dbraw/zinc/65/57/28/588655728.db2.gz RYMRIXBAKOSOMH-LLVKDONJSA-N 0 3 245.319 0.411 20 0 BCADHN CC(C)[C@](C)(NCCOC(F)F)C(N)=O ZINC000852039046 588656995 /nfs/dbraw/zinc/65/69/95/588656995.db2.gz BPXNBMRCSJFDCR-VIFPVBQESA-N 0 3 224.251 0.715 20 0 BCADHN CC(C)[C@](C)(NC[C@@H]1CCC(=O)O1)C(N)=O ZINC000852040308 588657039 /nfs/dbraw/zinc/65/70/39/588657039.db2.gz JSAPQOKDVZOWRL-KWQFWETISA-N 0 3 228.292 0.182 20 0 BCADHN COCCN(C)CCNC(=O)N[C@H]1C=CCC1 ZINC000852063591 588658629 /nfs/dbraw/zinc/65/86/29/588658629.db2.gz RONWWXAQXMBBRZ-NSHDSACASA-N 0 3 241.335 0.582 20 0 BCADHN CC1(C)[C@@H](O)CCN1C[C@H](O)c1ccccn1 ZINC000852069496 588659455 /nfs/dbraw/zinc/65/94/55/588659455.db2.gz FBUCUICJZQTLMF-RYUDHWBXSA-N 0 3 236.315 0.960 20 0 BCADHN CN(C[C@H]1COC(C)(C)O1)C1(CO)CCC1 ZINC000852075659 588659629 /nfs/dbraw/zinc/65/96/29/588659629.db2.gz CPDSZGSYGCQMRE-JTQLQIEISA-N 0 3 229.320 0.985 20 0 BCADHN CCN(C[C@@H](O)c1ccccn1)[C@H](C)CO ZINC000852075029 588659849 /nfs/dbraw/zinc/65/98/49/588659849.db2.gz HSFULHBNNIJNTF-ZYHUDNBSSA-N 0 3 224.304 0.818 20 0 BCADHN COC[C@H]1CCN1C[C@H]1COC(C)(C)O1 ZINC000852088880 588660869 /nfs/dbraw/zinc/66/08/69/588660869.db2.gz OZBDJIPSFLRKEP-ZJUUUORDSA-N 0 3 215.293 0.859 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@@H]1CCC(=O)O1 ZINC000852093361 588661223 /nfs/dbraw/zinc/66/12/23/588661223.db2.gz IROBBHVQGSNBLH-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)[C@@H]1C ZINC000852092308 588661611 /nfs/dbraw/zinc/66/16/11/588661611.db2.gz SUTRTPNKNNTIFG-GYSYKLTISA-N 0 3 248.326 0.700 20 0 BCADHN CCN(C[C@@H]1COC(C)(C)O1)[C@@H](C)CO ZINC000852096139 588661891 /nfs/dbraw/zinc/66/18/91/588661891.db2.gz VFPLXZKOUNYYOC-VHSXEESVSA-N 0 3 217.309 0.841 20 0 BCADHN CC(=O)C1CCN(C[C@]2(O)CCCOC2)CC1 ZINC000852125170 588665762 /nfs/dbraw/zinc/66/57/62/588665762.db2.gz FAYVYVBZJISDQB-CYBMUJFWSA-N 0 3 241.331 0.829 20 0 BCADHN CO[C@@H]1CN(CC[C@@H]2COC(C)(C)O2)C[C@H]1O ZINC000852140642 588666489 /nfs/dbraw/zinc/66/64/89/588666489.db2.gz NGSYFHDAMHQSNK-GMTAPVOTSA-N 0 3 245.319 0.220 20 0 BCADHN CC1(C)COC[C@H]1NC[C@H]1CCC(=O)O1 ZINC000852141463 588666802 /nfs/dbraw/zinc/66/68/02/588666802.db2.gz QCCXZOHPYDCXIT-RKDXNWHRSA-N 0 3 213.277 0.707 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCCC(OC)OC ZINC000852146702 588667266 /nfs/dbraw/zinc/66/72/66/588667266.db2.gz RTWQVRMJFWWCNI-NXEZZACHSA-N 0 3 233.308 0.389 20 0 BCADHN COC(CN(C1CC1)C1(CO)CCC1)OC ZINC000852157510 588667777 /nfs/dbraw/zinc/66/77/77/588667777.db2.gz ARHOFBIPHYBWNB-UHFFFAOYSA-N 0 3 229.320 0.985 20 0 BCADHN CCN1CCCN(CC[S@@](C)=O)[C@@H](C)C1 ZINC000852165854 588668931 /nfs/dbraw/zinc/66/89/31/588668931.db2.gz JEGOJKWDWRUKEX-XHDPSFHLSA-N 0 3 232.393 0.781 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1C[C@H]1COC(C)(C)O1 ZINC000852184060 588670083 /nfs/dbraw/zinc/67/00/83/588670083.db2.gz FGCAOXSCXFSEPC-VWYCJHECSA-N 0 3 229.320 0.983 20 0 BCADHN CN1CCC[C@H](NC(=O)NCc2ncccn2)C1 ZINC000852186529 588670347 /nfs/dbraw/zinc/67/03/47/588670347.db2.gz FEHQLHNXEQKSQH-JTQLQIEISA-N 0 3 249.318 0.370 20 0 BCADHN C[C@@H](CCO)N(C)C[C@H]1CCC(=O)O1 ZINC000852212371 588672562 /nfs/dbraw/zinc/67/25/62/588672562.db2.gz AHLOQFJZAKEKBR-DTWKUNHWSA-N 0 3 201.266 0.395 20 0 BCADHN COC(=O)CC1(NCCOC(F)F)CC1 ZINC000852210427 588672616 /nfs/dbraw/zinc/67/26/16/588672616.db2.gz DYTQLMDBEBWRTN-UHFFFAOYSA-N 0 3 223.219 0.911 20 0 BCADHN C[C@H](CCO)N(C)C[C@H]1CCC(=O)O1 ZINC000852212373 588672661 /nfs/dbraw/zinc/67/26/61/588672661.db2.gz AHLOQFJZAKEKBR-RKDXNWHRSA-N 0 3 201.266 0.395 20 0 BCADHN C[C@@H](O)CN(C[C@H]1COC(C)(C)O1)C1CC1 ZINC000852218756 588673777 /nfs/dbraw/zinc/67/37/77/588673777.db2.gz LGVNBVKGCQVUMS-KOLCDFICSA-N 0 3 229.320 0.983 20 0 BCADHN CN(CCCN1CCOC1=O)Cc1cnc[nH]1 ZINC000852284267 588675779 /nfs/dbraw/zinc/67/57/79/588675779.db2.gz IZVJNMSMWOWHBR-UHFFFAOYSA-N 0 3 238.291 0.684 20 0 BCADHN O=C1CCC2=C(CCN(C[C@H](O)C3CC3)C2)N1 ZINC000852294679 588676658 /nfs/dbraw/zinc/67/66/58/588676658.db2.gz FWZYGXHHWKRUGO-LBPRGKRZSA-N 0 3 236.315 0.627 20 0 BCADHN FC(F)OCCN1CC[C@@H](Cn2ccnn2)C1 ZINC000852311954 588677954 /nfs/dbraw/zinc/67/79/54/588677954.db2.gz QBSXKORRZLKNHT-SECBINFHSA-N 0 3 246.261 0.839 20 0 BCADHN CCC(=O)CCN1CC[C@@H](Cn2ccnn2)C1 ZINC000852313824 588678007 /nfs/dbraw/zinc/67/80/07/588678007.db2.gz OLJGZYLQTNSWTH-LLVKDONJSA-N 0 3 236.319 0.969 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1C=CCC1)N(C)C ZINC000852371858 588680309 /nfs/dbraw/zinc/68/03/09/588680309.db2.gz MHBSAHYPNKCVLW-VHSXEESVSA-N 0 3 211.309 0.954 20 0 BCADHN CCOCCN1CC[C@H](N2CCOC2=O)C1 ZINC000852431023 588681586 /nfs/dbraw/zinc/68/15/86/588681586.db2.gz DZEJWDXNTGLDRR-JTQLQIEISA-N 0 3 228.292 0.549 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NCCOC(F)F ZINC000852414638 588681648 /nfs/dbraw/zinc/68/16/48/588681648.db2.gz SDPVYYIDOOIRBM-NKWVEPMBSA-N 0 3 239.218 0.146 20 0 BCADHN O=C1OCCN1[C@@H]1CCN(CCCCCO)C1 ZINC000852433557 588681987 /nfs/dbraw/zinc/68/19/87/588681987.db2.gz STJKNNGHSWVAOS-LLVKDONJSA-N 0 3 242.319 0.676 20 0 BCADHN O=C1OCCN1[C@@H]1CCN(C[C@@H](O)C2CC2)C1 ZINC000852439489 588682255 /nfs/dbraw/zinc/68/22/55/588682255.db2.gz DEMFVXYCOQHXQR-GHMZBOCLSA-N 0 3 240.303 0.284 20 0 BCADHN CN(CC[C@H]1CCOC1=O)C[C@H]1COCCO1 ZINC000852495315 588685341 /nfs/dbraw/zinc/68/53/41/588685341.db2.gz JCHAYIOQVHQHJU-QWRGUYRKSA-N 0 3 243.303 0.287 20 0 BCADHN CN(CC[C@@H]1CCOC1=O)C[C@@H]1COCCO1 ZINC000852495312 588685471 /nfs/dbraw/zinc/68/54/71/588685471.db2.gz JCHAYIOQVHQHJU-GHMZBOCLSA-N 0 3 243.303 0.287 20 0 BCADHN CN(C[C@H]1COC(C)(C)O1)C[C@H]1COCCO1 ZINC000852498366 588685963 /nfs/dbraw/zinc/68/59/63/588685963.db2.gz GEDFNGYCRVIJDJ-QWRGUYRKSA-N 0 3 245.319 0.485 20 0 BCADHN CN(C[C@H]1COC(C)(C)O1)C[C@@H]1COCCO1 ZINC000852498365 588686002 /nfs/dbraw/zinc/68/60/02/588686002.db2.gz GEDFNGYCRVIJDJ-MNOVXSKESA-N 0 3 245.319 0.485 20 0 BCADHN C[C@@H]1CN(CC2OCCO2)C[C@H](C)[C@H]1O ZINC000852503915 588686134 /nfs/dbraw/zinc/68/61/34/588686134.db2.gz VGDMRFFDVBZFLY-JZYVYDRUSA-N 0 3 215.293 0.308 20 0 BCADHN O[C@]1(C2CC2)CCCN(CC2OCCO2)C1 ZINC000852501699 588686461 /nfs/dbraw/zinc/68/64/61/588686461.db2.gz SGZSYSYQOYXQFT-GFCCVEGCSA-N 0 3 227.304 0.596 20 0 BCADHN COC(=O)/C(C)=C/CN1CCC[C@@H]1[C@@H](C)O ZINC000852558752 588690302 /nfs/dbraw/zinc/69/03/02/588690302.db2.gz CUFINYIDBNCAJR-WHTZOINASA-N 0 3 227.304 0.951 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1CC[S@](C)=O ZINC000852558731 588690336 /nfs/dbraw/zinc/69/03/36/588690336.db2.gz LUEGHDBEWVFREB-KKFJDGPESA-N 0 3 205.323 0.210 20 0 BCADHN COC[C@@H](CN(C)CCN(C)C(=O)OC)OC ZINC000852567500 588690654 /nfs/dbraw/zinc/69/06/54/588690654.db2.gz PHUUABBVSFAGSA-SNVBAGLBSA-N 0 3 248.323 0.278 20 0 BCADHN COC(=O)N(C)CCN(C)C[C@@H]1CCCO1 ZINC000852571877 588690985 /nfs/dbraw/zinc/69/09/85/588690985.db2.gz HIJGQEDPTZZMMI-JTQLQIEISA-N 0 3 230.308 0.795 20 0 BCADHN C[S@](=O)CCN1CCC2(COC2)C1 ZINC000852683696 588695609 /nfs/dbraw/zinc/69/56/09/588695609.db2.gz PUIVMPODPKMVJQ-ZDUSSCGKSA-N 0 3 203.307 0.087 20 0 BCADHN C[C@H](O)CCN1CCC(N2CCOC2=O)CC1 ZINC000852719713 588698081 /nfs/dbraw/zinc/69/80/81/588698081.db2.gz NPIHCYGLBSFXTQ-JTQLQIEISA-N 0 3 242.319 0.674 20 0 BCADHN c1c[nH]c([C@@H]2CCCN2C[C@H]2CNCCO2)n1 ZINC000852750386 588699914 /nfs/dbraw/zinc/69/99/14/588699914.db2.gz STVGZYNMZVOPPE-MNOVXSKESA-N 0 3 236.319 0.535 20 0 BCADHN CCOCCN1CCC(NC(=O)OC)CC1 ZINC000852764032 588700895 /nfs/dbraw/zinc/70/08/95/588700895.db2.gz DTPJDCLIFJLRBI-UHFFFAOYSA-N 0 3 230.308 0.843 20 0 BCADHN COC(=O)NC1CCN(CC[C@H](C)O)CC1 ZINC000852763071 588700902 /nfs/dbraw/zinc/70/09/02/588700902.db2.gz GMIGJSJJTIXAOC-VIFPVBQESA-N 0 3 230.308 0.578 20 0 BCADHN COC(=O)NC1CCN(CCC[C@H](C)O)CC1 ZINC000852765164 588701015 /nfs/dbraw/zinc/70/10/15/588701015.db2.gz MZBYSNLSTZYDBG-JTQLQIEISA-N 0 3 244.335 0.968 20 0 BCADHN CCCNC(=O)[C@H]1NCC12CCOCC2 ZINC000852771282 588701264 /nfs/dbraw/zinc/70/12/64/588701264.db2.gz CZSXFVDZYWHCII-SECBINFHSA-N 0 3 212.293 0.281 20 0 BCADHN COC[C@@H](C)N1CCC(NC(=O)OC)CC1 ZINC000852768942 588701347 /nfs/dbraw/zinc/70/13/47/588701347.db2.gz LEYMODUNXDYBTP-SECBINFHSA-N 0 3 230.308 0.842 20 0 BCADHN CC12CC(C1)CN2[C@H]1CCC(=O)NC1=O ZINC000852785839 588702236 /nfs/dbraw/zinc/70/22/36/588702236.db2.gz HLBYCYGKDLRULD-KAIZJQOQSA-N 0 3 208.261 0.276 20 0 BCADHN CC12CC(C1)CN2[C@@H]1CCC(=O)NC1=O ZINC000852785838 588702264 /nfs/dbraw/zinc/70/22/64/588702264.db2.gz HLBYCYGKDLRULD-JKDSDDBFSA-N 0 3 208.261 0.276 20 0 BCADHN C[C@H](NC(=O)C1=NO[C@H](CN)C1)c1ccccc1 ZINC000852799862 588703924 /nfs/dbraw/zinc/70/39/24/588703924.db2.gz JMTQCNVANWSWEZ-ONGXEEELSA-N 0 3 247.298 0.967 20 0 BCADHN CN(C(=O)C1=NO[C@H](CN)C1)C1CCCCC1 ZINC000852798905 588704009 /nfs/dbraw/zinc/70/40/09/588704009.db2.gz CDWZYXBEXRHDGX-JTQLQIEISA-N 0 3 239.319 0.881 20 0 BCADHN CC1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852800313 588704200 /nfs/dbraw/zinc/70/42/00/588704200.db2.gz NKCQQCZNPFRYDV-VIFPVBQESA-N 0 3 225.292 0.349 20 0 BCADHN CC(C)NCC(=O)NCC(=O)OCC1CC1 ZINC000852801358 588704497 /nfs/dbraw/zinc/70/44/97/588704497.db2.gz KJWDJQVXFYRJSL-UHFFFAOYSA-N 0 3 228.292 0.054 20 0 BCADHN CC(C)CCN(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852811508 588705050 /nfs/dbraw/zinc/70/50/50/588705050.db2.gz OYRQWBTVIQNKFD-SECBINFHSA-N 0 3 227.308 0.595 20 0 BCADHN CC(C)[C@H]1CCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852815803 588705290 /nfs/dbraw/zinc/70/52/90/588705290.db2.gz ZXMJSCUPJHXERD-MWLCHTKSSA-N 0 3 239.319 0.737 20 0 BCADHN C[C@@H](N(C)C(=O)C1=NO[C@@H](CN)C1)C(C)(C)C ZINC000852813353 588705320 /nfs/dbraw/zinc/70/53/20/588705320.db2.gz IGGVCZLQOGWQFM-RKDXNWHRSA-N 0 3 241.335 0.983 20 0 BCADHN CC1(C)CCCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852816828 588705408 /nfs/dbraw/zinc/70/54/08/588705408.db2.gz HFESRYHLSDJCMY-VIFPVBQESA-N 0 3 239.319 0.739 20 0 BCADHN CCOCCCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852815658 588705581 /nfs/dbraw/zinc/70/55/81/588705581.db2.gz XCTSLGRBWMOOOL-VIFPVBQESA-N 0 3 243.307 0.023 20 0 BCADHN CC[C@@H](NC)C(=O)N(C)[C@@H]1CCCCNC1=O ZINC000852824893 588705921 /nfs/dbraw/zinc/70/59/21/588705921.db2.gz HNXZEQHYJPBCNC-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CN(CC1CCCC1)C(=O)C1=NO[C@H](CN)C1 ZINC000852826815 588706087 /nfs/dbraw/zinc/70/60/87/588706087.db2.gz ZMQGLGHCPQCVFU-JTQLQIEISA-N 0 3 239.319 0.739 20 0 BCADHN C[C@H]1CCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852837095 588707103 /nfs/dbraw/zinc/70/71/03/588707103.db2.gz DIHFROULPZPWTH-YUMQZZPRSA-N 0 3 211.265 0.101 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)[C@@]1(F)CCNC1 ZINC000852836512 588707189 /nfs/dbraw/zinc/70/71/89/588707189.db2.gz BBJMGZDWRIQWCL-SNVBAGLBSA-N 0 3 226.255 0.070 20 0 BCADHN NC[C@H]1CC(C(=O)N2CCC3(CCC3)C2)=NO1 ZINC000852841742 588707330 /nfs/dbraw/zinc/70/73/30/588707330.db2.gz KDSCHAFMSKNWCN-SECBINFHSA-N 0 3 237.303 0.493 20 0 BCADHN NC[C@H]1CC(C(=O)NC2(C3CC3)CC2)=NO1 ZINC000852841424 588707485 /nfs/dbraw/zinc/70/74/85/588707485.db2.gz JVCOEMSEAGIVTF-MRVPVSSYSA-N 0 3 223.276 0.149 20 0 BCADHN NC[C@@H]1CC(C(=O)NCCCC2CC2)=NO1 ZINC000852844588 588707629 /nfs/dbraw/zinc/70/76/29/588707629.db2.gz XHHBYIZDCDUGSX-VIFPVBQESA-N 0 3 225.292 0.396 20 0 BCADHN CCN(C(=O)C1=NO[C@@H](CN)C1)C1CCC1 ZINC000852844412 588707631 /nfs/dbraw/zinc/70/76/31/588707631.db2.gz DQFVASDUVNTKDY-SECBINFHSA-N 0 3 225.292 0.491 20 0 BCADHN C[C@@H]1C[C@@H](C)N(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852845222 588707787 /nfs/dbraw/zinc/70/77/87/588707787.db2.gz DHLPJJVIUHZPPX-HLTSFMKQSA-N 0 3 225.292 0.347 20 0 BCADHN COCCN(CCF)C(=O)[C@@]1(F)CCNC1 ZINC000852851565 588708233 /nfs/dbraw/zinc/70/82/33/588708233.db2.gz TZDTTXZYPBLHLV-SNVBAGLBSA-N 0 3 236.262 0.133 20 0 BCADHN CC[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852852561 588708253 /nfs/dbraw/zinc/70/82/53/588708253.db2.gz ATHRDYCIVABDFT-RKDXNWHRSA-N 0 3 225.292 0.349 20 0 BCADHN NC[C@H]1CC(C(=O)Nc2cccnc2)=NO1 ZINC000852856136 588708438 /nfs/dbraw/zinc/70/84/38/588708438.db2.gz MWAXAEXTLXNFBY-MRVPVSSYSA-N 0 3 220.232 0.124 20 0 BCADHN C[C@]1(CNC(=O)[C@]2(F)CCNC2)CC1(F)F ZINC000852855110 588708592 /nfs/dbraw/zinc/70/85/92/588708592.db2.gz FDASBXKHRJKHIM-BDAKNGLRSA-N 0 3 236.237 0.850 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000852854149 588708668 /nfs/dbraw/zinc/70/86/68/588708668.db2.gz DBYSCQIFYHVGMG-KPXOXKRLSA-N 0 3 234.299 0.889 20 0 BCADHN Cc1ncccc1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852857810 588708820 /nfs/dbraw/zinc/70/88/20/588708820.db2.gz GYXQIGPIFMBMCZ-MRVPVSSYSA-N 0 3 234.259 0.432 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1C[C@H](O)c2ccccc21 ZINC000852856469 588708825 /nfs/dbraw/zinc/70/88/25/588708825.db2.gz QQIOLFHSNYEGNJ-GGVZMXCHSA-N 0 3 220.272 0.628 20 0 BCADHN [NH3+][C@H]1C[C@H](C(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000852857042 588708899 /nfs/dbraw/zinc/70/88/99/588708899.db2.gz YOTPYAIKTRACEQ-IWSPIJDZSA-N 0 3 214.265 0.298 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000852861171 588709329 /nfs/dbraw/zinc/70/93/29/588709329.db2.gz PYCUXAWVHPFUAC-OPQQBVKSSA-N 0 3 238.331 0.622 20 0 BCADHN CC1(C)C[C@]1(C)NC(=O)[C@]1(F)CCNC1 ZINC000852864747 588709414 /nfs/dbraw/zinc/70/94/14/588709414.db2.gz GVHYNHBMRCPYLV-QWRGUYRKSA-N 0 3 214.284 0.993 20 0 BCADHN C[C@H](NN1C[C@@H](C)NC[C@@H]1C)c1ncnn1C ZINC000852874077 588709694 /nfs/dbraw/zinc/70/96/94/588709694.db2.gz HRNHXQXTIJMCEH-UTLUCORTSA-N 0 3 238.339 0.063 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2C[C@@H]2N)[C@@H]1[C@H]1CCCO1 ZINC000852872500 588709754 /nfs/dbraw/zinc/70/97/54/588709754.db2.gz GYPGHHSADNHMCR-LMLFDSFASA-N 0 3 238.331 0.750 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000852871811 588709760 /nfs/dbraw/zinc/70/97/60/588709760.db2.gz WYDMZIFNQJDLKV-KIJLLGNVSA-N 0 3 246.285 0.927 20 0 BCADHN CNc1ccc(NC(=O)C2=NO[C@H](CN)C2)cn1 ZINC000852880908 588711052 /nfs/dbraw/zinc/71/10/52/588711052.db2.gz GBVUATGDQWZKTR-QMMMGPOBSA-N 0 3 249.274 0.165 20 0 BCADHN CCN(CC(F)F)C(=O)C1=NO[C@H](CN)C1 ZINC000852884919 588711118 /nfs/dbraw/zinc/71/11/18/588711118.db2.gz QCFIWYGLEVTOHH-LURJTMIESA-N 0 3 235.234 0.204 20 0 BCADHN CC(C)C[C@@H](C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852883988 588711141 /nfs/dbraw/zinc/71/11/41/588711141.db2.gz CIBXNUIZOIURFV-BDAKNGLRSA-N 0 3 227.308 0.641 20 0 BCADHN CN(CCC1CC1)C(=O)C1=NO[C@H](CN)C1 ZINC000852888251 588711578 /nfs/dbraw/zinc/71/15/78/588711578.db2.gz HOJOMAMEEHEATE-VIFPVBQESA-N 0 3 225.292 0.349 20 0 BCADHN C[C@@H](CCC1CC1)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852887092 588711594 /nfs/dbraw/zinc/71/15/94/588711594.db2.gz FJEXYVADOKESIK-WCBMZHEXSA-N 0 3 239.319 0.785 20 0 BCADHN C[C@@H](CNC(=O)C1=NO[C@@H](CN)C1)CC(F)F ZINC000852894456 588712056 /nfs/dbraw/zinc/71/20/56/588712056.db2.gz JVDRYWRURLVODD-RNFRBKRXSA-N 0 3 249.261 0.498 20 0 BCADHN CC[C@@H](C)N(CC)C(=O)C1=NO[C@H](CN)C1 ZINC000852900130 588712198 /nfs/dbraw/zinc/71/21/98/588712198.db2.gz RCCLWVGNWWGVRL-BDAKNGLRSA-N 0 3 227.308 0.737 20 0 BCADHN CC(F)(F)CNC(=O)[C@@]1(F)CCNC1 ZINC000852912374 588712864 /nfs/dbraw/zinc/71/28/64/588712864.db2.gz QWQVFHJDJXJTAY-MRVPVSSYSA-N 0 3 210.199 0.459 20 0 BCADHN COc1cc(NC(=O)[C@@]2(F)CCNC2)ccn1 ZINC000852913252 588712908 /nfs/dbraw/zinc/71/29/08/588712908.db2.gz PLRLCHDWXLFILA-LLVKDONJSA-N 0 3 239.250 0.730 20 0 BCADHN CC(C)[C@@H](NC(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000852915441 588713253 /nfs/dbraw/zinc/71/32/53/588713253.db2.gz FVMFYDQPPMSRAJ-MWLCHTKSSA-N 0 3 239.319 0.641 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC(=O)[C@H](C)NC2CC2)C1 ZINC000852920322 588713287 /nfs/dbraw/zinc/71/32/87/588713287.db2.gz RBIKBTSBQDQNGG-NRPADANISA-N 0 3 240.303 0.195 20 0 BCADHN CC1(C)CC(NC(=O)[C@]2(F)CCNC2)C1 ZINC000852920850 588713510 /nfs/dbraw/zinc/71/35/10/588713510.db2.gz AASFPYJOHKPRCX-NSHDSACASA-N 0 3 214.284 0.993 20 0 BCADHN CCNCC(=O)N[C@@H]1CCC[C@@H]1C(=O)OC ZINC000852924956 588713871 /nfs/dbraw/zinc/71/38/71/588713871.db2.gz WSJQYHLRZTVHMR-DTWKUNHWSA-N 0 3 228.292 0.054 20 0 BCADHN COC1CC(C(=O)NOC2CCN(C)CC2)C1 ZINC000861550477 589167913 /nfs/dbraw/zinc/16/79/13/589167913.db2.gz KWFOTIQOEPUZAQ-UHFFFAOYSA-N 0 3 242.319 0.553 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)C23CC(C2)C3)CC1 ZINC000861550016 589167957 /nfs/dbraw/zinc/16/79/57/589167957.db2.gz ARDNVVAOZCDSAL-UHFFFAOYSA-N 0 3 224.304 0.929 20 0 BCADHN CCN(C(=O)[C@H](O)C1CC1)C1CCN(C)CC1 ZINC000861891363 589182159 /nfs/dbraw/zinc/18/21/59/589182159.db2.gz ZGZUJOCKTUDMOT-GFCCVEGCSA-N 0 3 240.347 0.700 20 0 BCADHN COC[C@@H](O)CNCc1ccnc(F)c1C ZINC000862357143 589202856 /nfs/dbraw/zinc/20/28/56/589202856.db2.gz NXYUVHQHWGOWFV-JTQLQIEISA-N 0 3 228.267 0.626 20 0 BCADHN CCON(CC)C(=O)CN[C@H](CC)COC ZINC000862451719 589215385 /nfs/dbraw/zinc/21/53/85/589215385.db2.gz GKSWIFYLRPLUQU-SNVBAGLBSA-N 0 3 232.324 0.801 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1CC[C@@H]1SC ZINC000862542026 589218917 /nfs/dbraw/zinc/21/89/17/589218917.db2.gz CLTQZCKJHLGIGO-HLTSFMKQSA-N 0 3 232.349 0.878 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1CSC[C@@H]1C ZINC000862538792 589218203 /nfs/dbraw/zinc/21/82/03/589218203.db2.gz FQVJVOAYFQJNQA-CIUDSAMLSA-N 0 3 232.349 0.736 20 0 BCADHN Cc1cn[nH]c1CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862545977 589219527 /nfs/dbraw/zinc/21/95/27/589219527.db2.gz FXQPKYCSJMJHJF-RKDXNWHRSA-N 0 3 221.260 0.323 20 0 BCADHN CN(C)C1(C(=O)N2C[C@@H]3C[C@@H]3C2)CCC1 ZINC000862552799 589221137 /nfs/dbraw/zinc/22/11/37/589221137.db2.gz BUPUDVPDADUHAN-AOOOYVTPSA-N 0 3 208.305 0.949 20 0 BCADHN CONC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000119077287 589237209 /nfs/dbraw/zinc/23/72/09/589237209.db2.gz PBTBSKLVUWJUTG-JTQLQIEISA-N 0 3 229.324 0.967 20 0 BCADHN CONC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000119072294 589237251 /nfs/dbraw/zinc/23/72/51/589237251.db2.gz IXHMLNLHZFYTIL-SFYZADRCSA-N 0 3 213.281 0.472 20 0 BCADHN CONC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000119072846 589237256 /nfs/dbraw/zinc/23/72/56/589237256.db2.gz NIXXPGHSNOBCJD-SSDOTTSWSA-N 0 3 201.270 0.330 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)Nn1cccn1 ZINC000862765628 589238512 /nfs/dbraw/zinc/23/85/12/589238512.db2.gz FQGMPJXTWFRPSV-SNVBAGLBSA-N 0 3 222.292 0.828 20 0 BCADHN CCCCC[C@@H](NC(=O)[C@@H](C)N)C(=O)OC ZINC000119248506 589253969 /nfs/dbraw/zinc/25/39/69/589253969.db2.gz VHHYRAHBOZHDHV-RKDXNWHRSA-N 0 3 230.308 0.572 20 0 BCADHN CCCCC[C@H](NC(=O)[C@@H](C)N)C(=O)OC ZINC000119248411 589254146 /nfs/dbraw/zinc/25/41/46/589254146.db2.gz VHHYRAHBOZHDHV-BDAKNGLRSA-N 0 3 230.308 0.572 20 0 BCADHN COCCNC(=S)NNc1ccnc(C)c1 ZINC000863206392 589271306 /nfs/dbraw/zinc/27/13/06/589271306.db2.gz ZILFSEZJSLZWKP-UHFFFAOYSA-N 0 3 240.332 0.249 20 0 BCADHN C[C@H](CC(=O)NCCN1CC[C@@H](O)C1)C1CC1 ZINC000863323939 589279684 /nfs/dbraw/zinc/27/96/84/589279684.db2.gz NAIXFWDDKZDIOW-ZYHUDNBSSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H]1C[C@H]1CN1C(C)C(=O)N(C)S1(=O)=O ZINC000863329214 589280917 /nfs/dbraw/zinc/28/09/17/589280917.db2.gz MMVCGEUKZBWDAZ-CSMHCCOUSA-N 0 3 232.305 0.050 20 0 BCADHN CN1CCC[C@H]1CNC(=O)/C=C\[C@@H]1CCCO1 ZINC000863503047 589294766 /nfs/dbraw/zinc/29/47/66/589294766.db2.gz VDCZLYXJQKPSCQ-MVSYMCDOSA-N 0 3 238.331 0.932 20 0 BCADHN C[C@H]1C(=O)N([C@@H]2CCN(C)[C@@H](C)C2)C(=O)N1C ZINC000863504467 589295053 /nfs/dbraw/zinc/29/50/53/589295053.db2.gz OAVIARAULDWDIN-LPEHRKFASA-N 0 3 239.319 0.752 20 0 BCADHN [NH3+]CCN(CCO)Cc1cc([O-])ccc1Cl ZINC000863540603 589296637 /nfs/dbraw/zinc/29/66/37/589296637.db2.gz GUIIEVLVHIYVGI-UHFFFAOYSA-N 0 3 244.722 0.799 20 0 BCADHN Cn1nc(CN2CC[C@@H](F)[C@H](N)C2)cc1Cl ZINC000863549006 589298510 /nfs/dbraw/zinc/29/85/10/589298510.db2.gz XHPGGAYGKKOYJZ-RKDXNWHRSA-N 0 3 246.717 0.945 20 0 BCADHN C/C=C\CN[C@@H]1CCN[C@@H]1C(=O)OCC ZINC000863547055 589298652 /nfs/dbraw/zinc/29/86/52/589298652.db2.gz OMZWMDVHQXERKO-OSCQXZJKSA-N 0 3 212.293 0.446 20 0 BCADHN CCS(=O)(=O)CCNCC[C@H]1CCCOC1 ZINC000863562740 589299672 /nfs/dbraw/zinc/29/96/72/589299672.db2.gz LBQSRSKQZHJROY-LLVKDONJSA-N 0 3 249.376 0.827 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CNCCC1(F)F)N(C)C ZINC000863584812 589301585 /nfs/dbraw/zinc/30/15/85/589301585.db2.gz DWEWQYGYQMAUIB-RKDXNWHRSA-N 0 3 249.305 0.440 20 0 BCADHN O=C1[C@@H](NC[C@@H](O)C2CC2)CCN1C1CCC1 ZINC000863590321 589303261 /nfs/dbraw/zinc/30/32/61/589303261.db2.gz ISUSAZGXEPEKHY-NWDGAFQWSA-N 0 3 238.331 0.500 20 0 BCADHN CCn1nccc1-c1cnn2c1CNCC2 ZINC000863690878 589310935 /nfs/dbraw/zinc/31/09/35/589310935.db2.gz YKDTVQXDMURXTO-UHFFFAOYSA-N 0 3 217.276 0.870 20 0 BCADHN CC/C(C)=C\C(=O)NCCN1CC[C@H](O)C1 ZINC000863833776 589322050 /nfs/dbraw/zinc/32/20/50/589322050.db2.gz WEFUMRBSAOFKSN-IEHMKBBKSA-N 0 3 226.320 0.526 20 0 BCADHN C/C(Cl)=C/C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000864059687 589336736 /nfs/dbraw/zinc/33/67/36/589336736.db2.gz ODTCJWKMSIHONU-YXCTTXFESA-N 0 3 244.722 0.406 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)C23CCN(CC2)C3)C1 ZINC000864078603 589340731 /nfs/dbraw/zinc/34/07/31/589340731.db2.gz YBYIPMJALOPQBV-MGCOHNPYSA-N 0 3 224.304 0.376 20 0 BCADHN C[C@@]1(NC(=O)Cc2c[nH]cn2)CN2CCC1CC2 ZINC000864083896 589341865 /nfs/dbraw/zinc/34/18/65/589341865.db2.gz FLCUYWHOMXOKGO-CYBMUJFWSA-N 0 3 248.330 0.553 20 0 BCADHN CN(C)CCNC(=O)Cc1cccnc1Cl ZINC000864415714 589360689 /nfs/dbraw/zinc/36/06/89/589360689.db2.gz DIEHQHWAWLWJJI-UHFFFAOYSA-N 0 3 241.722 0.955 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)/C=C\COC ZINC000864609642 589383119 /nfs/dbraw/zinc/38/31/19/589383119.db2.gz AZXOMIQHAXJROC-JPVGGKMYSA-N 0 3 226.320 0.790 20 0 BCADHN CC(=O)CCn1cc([C@@H](N)C(C)C)nn1 ZINC000864641980 589386740 /nfs/dbraw/zinc/38/67/40/589386740.db2.gz FQJQVRHERGMFSR-JTQLQIEISA-N 0 3 210.281 0.913 20 0 BCADHN Cc1c[nH]nc1Cn1cc(CCN(C)C)nn1 ZINC000864649072 589388094 /nfs/dbraw/zinc/38/80/94/589388094.db2.gz GRLPWOOPPRPPAR-UHFFFAOYSA-N 0 3 234.307 0.462 20 0 BCADHN C[C@H](CNC(=O)C1(F)CCOCC1)N(C)C ZINC000864828250 589397222 /nfs/dbraw/zinc/39/72/22/589397222.db2.gz PMKVTIQBPHPGDY-SECBINFHSA-N 0 3 232.299 0.571 20 0 BCADHN CN(CC[C@H]1CCCN1C)CCS(C)(=O)=O ZINC000120453784 589415758 /nfs/dbraw/zinc/41/57/58/589415758.db2.gz CAUAGJPPJPEETM-LLVKDONJSA-N 0 3 248.392 0.447 20 0 BCADHN C[C@H](O)CNCc1cnc2c(cnn2C)c1 ZINC000865398078 589432099 /nfs/dbraw/zinc/43/20/99/589432099.db2.gz QVEIRFFBSSJCMW-QMMMGPOBSA-N 0 3 220.276 0.439 20 0 BCADHN CN1CCCN(c2ccc(F)nn2)CC1 ZINC000865402063 589432833 /nfs/dbraw/zinc/43/28/33/589432833.db2.gz GMXXGMGPJOIMOT-UHFFFAOYSA-N 0 3 210.256 0.758 20 0 BCADHN CN(C)CCNc1c2c(nc3ncnn31)CCC2 ZINC000865401382 589433021 /nfs/dbraw/zinc/43/30/21/589433021.db2.gz RVWKRFLSGDELSE-UHFFFAOYSA-N 0 3 246.318 0.587 20 0 BCADHN CC[S@@](=O)CCNCc1ccc(=O)[nH]c1 ZINC000865457918 589437222 /nfs/dbraw/zinc/43/72/22/589437222.db2.gz XLRHGHXKKMKPDM-OAHLLOKOSA-N 0 3 228.317 0.645 20 0 BCADHN Cn1cc([C@@H](O)CNCc2ccc(=O)[nH]c2)cn1 ZINC000865475176 589439075 /nfs/dbraw/zinc/43/90/75/589439075.db2.gz SZBGXYVZHVCEPT-NSHDSACASA-N 0 3 248.286 0.344 20 0 BCADHN COC/C=C\C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000865584298 589449064 /nfs/dbraw/zinc/44/90/64/589449064.db2.gz OPMAUEFUAMSTRH-DLRQAJBASA-N 0 3 242.319 0.026 20 0 BCADHN COCCc1ncc(CN[C@@H]2CC[C@H]2O)s1 ZINC000865609021 589451017 /nfs/dbraw/zinc/45/10/17/589451017.db2.gz FSUWHLKSXGWFQI-NXEZZACHSA-N 0 3 242.344 0.945 20 0 BCADHN Cn1ncc2cc(CN[C@H]3C[C@H](O)C3)cnc21 ZINC000865636198 589453273 /nfs/dbraw/zinc/45/32/73/589453273.db2.gz YIZNTLHKLUKZCA-XYPYZODXSA-N 0 3 232.287 0.581 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)Nc1ccc(N)nc1 ZINC000205579894 589454333 /nfs/dbraw/zinc/45/43/33/589454333.db2.gz JWSZVEZLOADXCT-SECBINFHSA-N 0 3 222.292 0.976 20 0 BCADHN Cn1nccc1CN[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865695456 589456937 /nfs/dbraw/zinc/45/69/37/589456937.db2.gz ZHCZQRYAQRBJMV-XZPDDHLCSA-N 0 3 233.315 0.933 20 0 BCADHN Cc1cc(CNC[C@H](O)[C@H](C)O)cnc1Cl ZINC000865738816 589459639 /nfs/dbraw/zinc/45/96/39/589459639.db2.gz KBXTWHFQRPEJEQ-WPRPVWTQSA-N 0 3 244.722 0.875 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1cccc2nccn21 ZINC000865738403 589459690 /nfs/dbraw/zinc/45/96/90/589459690.db2.gz FHLCLTOSSWNPDR-KOLCDFICSA-N 0 3 235.287 0.166 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1c(C2CC2)cnn1C ZINC000865739318 589459766 /nfs/dbraw/zinc/45/97/66/589459766.db2.gz UPDSNUKFLMZURI-PELKAZGASA-N 0 3 239.319 0.129 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1ccc(Cl)nc1 ZINC000865740013 589459974 /nfs/dbraw/zinc/45/99/74/589459974.db2.gz ZERZSYXYLZKRSK-APPZFPTMSA-N 0 3 230.695 0.566 20 0 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248.273 0.621 20 0 BCADHN CN(C[C@@H](O)C1CC1)[C@@H]1CCCCN(C)C1=O ZINC000872266096 589903132 /nfs/dbraw/zinc/90/31/32/589903132.db2.gz PTYHJWJBNYBKRJ-VXGBXAGGSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872308522 589908765 /nfs/dbraw/zinc/90/87/65/589908765.db2.gz CVVLGZDCWIOINW-XWIASGKRSA-N 0 3 238.331 0.955 20 0 BCADHN O=C(CNC1CC1)N[C@]12CCC[C@H]1OCC2 ZINC000872309082 589908771 /nfs/dbraw/zinc/90/87/71/589908771.db2.gz ONJZNUYKSBWALI-PWSUYJOCSA-N 0 3 224.304 0.566 20 0 BCADHN CN[C@@H](C)C(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872308860 589908967 /nfs/dbraw/zinc/90/89/67/589908967.db2.gz KKZGHPWPMGIEFQ-NGZCFLSTSA-N 0 3 212.293 0.422 20 0 BCADHN O[C@@H](CN1C[C@@H]2COC[C@@H]2C1)c1ccccn1 ZINC000872320344 589911615 /nfs/dbraw/zinc/91/16/15/589911615.db2.gz ROXOPKRMXRWQCI-LOWVWBTDSA-N 0 3 234.299 0.693 20 0 BCADHN O=c1[n-]nc(Cl)cc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000872418642 589937339 /nfs/dbraw/zinc/93/73/39/589937339.db2.gz YAPMAWZQHDFMPI-KNVOCYPGSA-N 0 3 240.694 0.491 20 0 BCADHN CC[S@](=O)CCNCc1c(C)nn(C)c1C ZINC000124134692 589949291 /nfs/dbraw/zinc/94/92/91/589949291.db2.gz LHJSKJKCAAKKIJ-MRXNPFEDSA-N 0 3 243.376 0.895 20 0 BCADHN c1nncn1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000872722842 589964748 /nfs/dbraw/zinc/96/47/48/589964748.db2.gz VLSNRYUEIRIWGC-UWVGGRQHSA-N 0 3 224.333 0.921 20 0 BCADHN C[C@H]1C(=O)N(CN2C[C@@H]3COC[C@@H]3C2)C[C@H]1C ZINC000872786345 589970421 /nfs/dbraw/zinc/97/04/21/589970421.db2.gz ZPOYJJLWZCISJL-KKOKHZNYSA-N 0 3 238.331 0.637 20 0 BCADHN C[C@@H]1CCN(CN2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000872786125 589970578 /nfs/dbraw/zinc/97/05/78/589970578.db2.gz RYCKOKWBWHDPIX-MXWKQRLJSA-N 0 3 224.304 0.391 20 0 BCADHN COC(=O)c1ccc(CN[C@@H]2CC[C@H]2O)n1C ZINC000873134059 589985474 /nfs/dbraw/zinc/98/54/74/589985474.db2.gz NAZFEJLHADRMQT-MWLCHTKSSA-N 0 3 238.287 0.425 20 0 BCADHN CN1CCn2nc(NCc3ccon3)cc2C1 ZINC000873152484 589986739 /nfs/dbraw/zinc/98/67/39/589986739.db2.gz QMVIDUMUXMJRAS-UHFFFAOYSA-N 0 3 233.275 0.929 20 0 BCADHN CC[C@@](C)(CCO)NCc1cnc(N)cn1 ZINC000873206537 589993645 /nfs/dbraw/zinc/99/36/45/589993645.db2.gz HSJSNFVILPLASG-NSHDSACASA-N 0 3 224.308 0.700 20 0 BCADHN C[C@@H]1CN(Cc2cnc(N)cn2)[C@H](C)CN1C ZINC000873208845 589994879 /nfs/dbraw/zinc/99/48/79/589994879.db2.gz VUDTYXUMAKWHQG-NXEZZACHSA-N 0 3 235.335 0.583 20 0 BCADHN COC(=O)C(C)(C)CNCc1cnc(N)cn1 ZINC000873211387 589996011 /nfs/dbraw/zinc/99/60/11/589996011.db2.gz MNRNYSHTJLHTRY-UHFFFAOYSA-N 0 3 238.291 0.348 20 0 BCADHN Nc1cnc(CN[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cn1 ZINC000873217410 589998382 /nfs/dbraw/zinc/99/83/82/589998382.db2.gz LWFRBOWXVYFHMI-LLHKWGMCSA-N 0 3 246.314 0.572 20 0 BCADHN O[C@@H]1CCN(Cc2cccc3c2NCC3)C[C@@H]1O ZINC000873221669 590000026 /nfs/dbraw/zinc/00/00/26/590000026.db2.gz NBCMUIOUVCVAPS-OLZOCXBDSA-N 0 3 248.326 0.582 20 0 BCADHN Cc1nonc1CN[C@@H](C)C[C@@H]1COCCN1 ZINC000873296066 590024108 /nfs/dbraw/zinc/02/41/08/590024108.db2.gz UXKWGXXIYRXUQD-WCBMZHEXSA-N 0 3 240.307 0.235 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@H]1Cc2ccccc2CN1 ZINC000873294917 590024273 /nfs/dbraw/zinc/02/42/73/590024273.db2.gz VYNYPXCUXZPWCB-GXFFZTMASA-N 0 3 247.342 0.554 20 0 BCADHN CN(C(=O)CN1CCCC1)C1CCN(C)CC1 ZINC000873724977 590068816 /nfs/dbraw/zinc/06/88/16/590068816.db2.gz XGKAVNURHJEPQQ-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)CN1CCCC1 ZINC000873838917 590074891 /nfs/dbraw/zinc/07/48/91/590074891.db2.gz DAZFUBCCYUMSKS-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN CONC(=O)C1CCN(Cc2ccncc2)CC1 ZINC000873946445 590080418 /nfs/dbraw/zinc/08/04/18/590080418.db2.gz RUWNHXWZELKYHT-UHFFFAOYSA-N 0 3 249.314 0.971 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C)ccc1N ZINC000020195121 590083764 /nfs/dbraw/zinc/08/37/64/590083764.db2.gz PZUYGDFTVGBCTJ-UHFFFAOYSA-N 0 3 221.304 0.869 20 0 BCADHN COCCCN(C)C(=O)CN1CCCC1 ZINC000874215362 590097387 /nfs/dbraw/zinc/09/73/87/590097387.db2.gz PTWYKTGURFNEKW-UHFFFAOYSA-N 0 3 214.309 0.577 20 0 BCADHN C[N@@H+]1CC[C@H](CC(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000874261926 590100494 /nfs/dbraw/zinc/10/04/94/590100494.db2.gz CNYNEMXKNTXGSK-ZYHUDNBSSA-N 0 3 242.319 0.903 20 0 BCADHN C[N@H+]1CC[C@H](CC(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000874261926 590100495 /nfs/dbraw/zinc/10/04/95/590100495.db2.gz CNYNEMXKNTXGSK-ZYHUDNBSSA-N 0 3 242.319 0.903 20 0 BCADHN CC(C)(CN)c1nc(-c2ccncn2)no1 ZINC000124961629 590106463 /nfs/dbraw/zinc/10/64/63/590106463.db2.gz HDZKFWLTHDTWOD-UHFFFAOYSA-N 0 3 219.248 0.763 20 0 BCADHN CC[S@@](=O)CCNC(=O)C1(CN(C)C)CC1 ZINC000874451739 590112083 /nfs/dbraw/zinc/11/20/83/590112083.db2.gz HCYGARLFUNYGHW-MRXNPFEDSA-N 0 3 246.376 0.213 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)C(OC)OC ZINC000874455242 590112860 /nfs/dbraw/zinc/11/28/60/590112860.db2.gz FJVXGZNXRQOAEY-JTQLQIEISA-N 0 3 244.335 0.596 20 0 BCADHN CN(C)CC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874837710 590138496 /nfs/dbraw/zinc/13/84/96/590138496.db2.gz JDIDRCODEYBRIK-WDEREUQCSA-N 0 3 225.336 0.243 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Cc1nnc[nH]1 ZINC000874825518 590141890 /nfs/dbraw/zinc/14/18/90/590141890.db2.gz PQFILUJRKMWWSG-ZJUUUORDSA-N 0 3 249.318 0.042 20 0 BCADHN Cc1n[nH]nc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874828396 590142471 /nfs/dbraw/zinc/14/24/71/590142471.db2.gz GRBFFZWIJOPPLK-UWVGGRQHSA-N 0 3 249.318 0.422 20 0 BCADHN Cc1nn[nH]c1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874828396 590142472 /nfs/dbraw/zinc/14/24/72/590142472.db2.gz GRBFFZWIJOPPLK-UWVGGRQHSA-N 0 3 249.318 0.422 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ncc[nH]1 ZINC000874826226 590142508 /nfs/dbraw/zinc/14/25/08/590142508.db2.gz NBMFFUBVTLNNIR-VHSXEESVSA-N 0 3 234.303 0.718 20 0 BCADHN Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)nn1 ZINC000874829821 590142823 /nfs/dbraw/zinc/14/28/23/590142823.db2.gz ODUSWEIIIZLTIQ-WDEREUQCSA-N 0 3 249.318 0.124 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CO ZINC000874835516 590143741 /nfs/dbraw/zinc/14/37/41/590143741.db2.gz ZMXCQBXMRZABPC-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCCO1 ZINC000874831852 590143809 /nfs/dbraw/zinc/14/38/09/590143809.db2.gz BUXUBELSMPYHKX-UTUOFQBUSA-N 0 3 238.331 0.861 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccnnc1 ZINC000874833844 590143862 /nfs/dbraw/zinc/14/38/62/590143862.db2.gz AWLLPYUIQDSSLI-NWDGAFQWSA-N 0 3 246.314 0.785 20 0 BCADHN Cn1cnc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1 ZINC000874839554 590144411 /nfs/dbraw/zinc/14/44/11/590144411.db2.gz WUJGAXFKURHOFE-RYUDHWBXSA-N 0 3 248.330 0.729 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc[nH]n1 ZINC000874843775 590144452 /nfs/dbraw/zinc/14/44/52/590144452.db2.gz RGPNQIVGWUEHTG-MNOVXSKESA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccn[nH]1 ZINC000874843775 590144455 /nfs/dbraw/zinc/14/44/55/590144455.db2.gz RGPNQIVGWUEHTG-MNOVXSKESA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)C1=COCC1 ZINC000874840123 590144853 /nfs/dbraw/zinc/14/48/53/590144853.db2.gz KDFTUGSJLGECRE-NEPJUHHUSA-N 0 3 236.315 0.986 20 0 BCADHN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cn1 ZINC000874845091 590145267 /nfs/dbraw/zinc/14/52/67/590145267.db2.gz FYOJSFSBVSLQBG-NEPJUHHUSA-N 0 3 248.330 0.729 20 0 BCADHN CCOC(CN(C)CCCC(=O)NC)OCC ZINC000125185102 590149097 /nfs/dbraw/zinc/14/90/97/590149097.db2.gz ODAQRJUFPXBXNE-UHFFFAOYSA-N 0 3 246.351 0.844 20 0 BCADHN CO[C@@]1(C)C[C@H](NCCS(C)(=O)=O)C1(C)C ZINC000125195347 590151936 /nfs/dbraw/zinc/15/19/36/590151936.db2.gz DFZCDPXGVYVKFR-ONGXEEELSA-N 0 3 249.376 0.824 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000874880457 590152897 /nfs/dbraw/zinc/15/28/97/590152897.db2.gz JKTDKMMTKLPOLD-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN CCON(CC)C(=O)N[C@@H](C)CN(C)C ZINC000875582197 590165917 /nfs/dbraw/zinc/16/59/17/590165917.db2.gz LLOOWMDLXGMXBX-VIFPVBQESA-N 0 3 217.313 0.920 20 0 BCADHN C[C@@H](CNC(=O)Nc1ncccn1)N(C)C ZINC000888674880 590167271 /nfs/dbraw/zinc/16/72/71/590167271.db2.gz PQGGPOWWSBXVDL-QMMMGPOBSA-N 0 3 223.280 0.548 20 0 BCADHN CC1=NO[C@H](CNC(=O)N(C)CCN(C)C)C1 ZINC000875972310 590180914 /nfs/dbraw/zinc/18/09/14/590180914.db2.gz OIIVCIBLMMNSFJ-JTQLQIEISA-N 0 3 242.323 0.354 20 0 BCADHN COC(C)(C)CCNC(=O)NCCN(C)C ZINC000876079972 590186921 /nfs/dbraw/zinc/18/69/21/590186921.db2.gz NSZGHZNCKZEVCQ-UHFFFAOYSA-N 0 3 231.340 0.662 20 0 BCADHN CN(C)CCNC(=O)NC[C@H]1CC(C)(C)CO1 ZINC000876330327 590195165 /nfs/dbraw/zinc/19/51/65/590195165.db2.gz DGCIUHDBKJPONF-SNVBAGLBSA-N 0 3 243.351 0.662 20 0 BCADHN CCC[C@@H](CC)C(=O)N1CCN(C)C[C@@H]1CN ZINC000876542178 590212647 /nfs/dbraw/zinc/21/26/47/590212647.db2.gz LGCZSAHNWNMDTJ-NEPJUHHUSA-N 0 3 241.379 0.914 20 0 BCADHN C[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876549497 590214678 /nfs/dbraw/zinc/21/46/78/590214678.db2.gz FCGOLUUDNKSNKY-GARJFASQSA-N 0 3 227.352 0.570 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)CCC1OCCO1 ZINC000126028353 590215592 /nfs/dbraw/zinc/21/55/92/590215592.db2.gz RHPNTPLUXPFOPH-PSLIRLAXSA-N 0 3 235.349 0.448 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)Nn1cnc2ccccc21 ZINC000876565459 590217211 /nfs/dbraw/zinc/21/72/11/590217211.db2.gz JPDVPJOQSDRFSX-KCJUWKMLSA-N 0 3 246.270 0.223 20 0 BCADHN C[C@H]1CCC[C@@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000876618616 590222416 /nfs/dbraw/zinc/22/24/16/590222416.db2.gz AEALYEKTUOMVOZ-TUAOUCFPSA-N 0 3 241.379 0.818 20 0 BCADHN CC1CCC(C)(NC(=O)[C@@H](N)CN(C)C)CC1 ZINC000876636725 590224037 /nfs/dbraw/zinc/22/40/37/590224037.db2.gz LFAXUYSLEHRKHA-AKJDGMEZSA-N 0 3 241.379 0.960 20 0 BCADHN [NH3+][C@H]1CC=C(C(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000876705846 590232092 /nfs/dbraw/zinc/23/20/92/590232092.db2.gz CDHHKXLJOAJCDN-UWVGGRQHSA-N 0 3 226.276 0.608 20 0 BCADHN CCO[N-]C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000876706253 590232137 /nfs/dbraw/zinc/23/21/37/590232137.db2.gz LNFIOUWTRBJLRZ-UHFFFAOYSA-N 0 3 234.299 0.943 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCCNc1ccccc1 ZINC000876718216 590233254 /nfs/dbraw/zinc/23/32/54/590233254.db2.gz PAJNBJFXSZSATK-NEPJUHHUSA-N 0 3 249.314 0.331 20 0 BCADHN CC[C@@H](C(=O)N1CCNC[C@H]1C(F)F)N(C)C ZINC000876851213 590249300 /nfs/dbraw/zinc/24/93/00/590249300.db2.gz FDTNJWCSNIVKTD-IUCAKERBSA-N 0 3 249.305 0.392 20 0 BCADHN C[C@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](N)CN(C)C ZINC000876874678 590251573 /nfs/dbraw/zinc/25/15/73/590251573.db2.gz JEGSCXHRSDYHQM-SRVKXCTJSA-N 0 3 241.379 0.912 20 0 BCADHN CC(C)[C@@H](C)N(C(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000876874275 590252287 /nfs/dbraw/zinc/25/22/87/590252287.db2.gz CHXKYOLICQQLIJ-PWSUYJOCSA-N 0 3 241.379 0.911 20 0 BCADHN C[C@H]1CCC[C@H](NC(=O)[C@@H](N)CN(C)C)CC1 ZINC000876886126 590253680 /nfs/dbraw/zinc/25/36/80/590253680.db2.gz SLTRVZWMPNONMK-SRVKXCTJSA-N 0 3 241.379 0.960 20 0 BCADHN CCC[C@H](CC)C(=O)NC[C@@H]1CNCCO1 ZINC000876916776 590256951 /nfs/dbraw/zinc/25/69/51/590256951.db2.gz GFCZFFKZGIEPDH-QWRGUYRKSA-N 0 3 228.336 0.917 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC/C=C/c1ccccc1 ZINC000876942676 590259625 /nfs/dbraw/zinc/25/96/25/590259625.db2.gz AZOWKGOGDPYMAL-PPGNKHEKSA-N 0 3 247.342 0.705 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000876973507 590263099 /nfs/dbraw/zinc/26/30/99/590263099.db2.gz IJWKQBZWTRZODA-JGVFFNPUSA-N 0 3 249.305 0.283 20 0 BCADHN N[C@@H]1CN(C(=O)c2cccnc2F)CC[C@H]1F ZINC000876975678 590263365 /nfs/dbraw/zinc/26/33/65/590263365.db2.gz HSLDJBNRKKZSGD-RKDXNWHRSA-N 0 3 241.241 0.732 20 0 BCADHN CNC(=O)CCNC[C@@H]1CC1(Cl)Cl ZINC000876986632 590265019 /nfs/dbraw/zinc/26/50/19/590265019.db2.gz JAOOKEFVNNDVJH-LURJTMIESA-N 0 3 225.119 0.906 20 0 BCADHN CCn1ncc(CNC(=O)C2(N)CCCC2)n1 ZINC000876990185 590265781 /nfs/dbraw/zinc/26/57/81/590265781.db2.gz SUIMZJAFXKILBG-UHFFFAOYSA-N 0 3 237.307 0.186 20 0 BCADHN O=C(NCC[C@@H]1CCCOC1)[C@]1(F)CCNC1 ZINC000876990688 590266150 /nfs/dbraw/zinc/26/61/50/590266150.db2.gz MASDDZOCIHRKJC-JQWIXIFHSA-N 0 3 244.310 0.621 20 0 BCADHN COC(=O)C1=CC[C@@H](NC(=O)C(C)(C)N)C1 ZINC000877000513 590267733 /nfs/dbraw/zinc/26/77/33/590267733.db2.gz QBYRZZJQKMXNKB-MRVPVSSYSA-N 0 3 226.276 0.102 20 0 BCADHN COC(=O)C1=CC[C@H](NC(=O)C2(N)CCC2)C1 ZINC000877002787 590267780 /nfs/dbraw/zinc/26/77/80/590267780.db2.gz ZQFWCQJUYZAIEB-VIFPVBQESA-N 0 3 238.287 0.246 20 0 BCADHN CNc1ccc(NC(=O)C2=NO[C@H](CN)C2)cc1 ZINC000877018778 590269167 /nfs/dbraw/zinc/26/91/67/590269167.db2.gz AFZGJKMUBTYOJU-JTQLQIEISA-N 0 3 248.286 0.770 20 0 BCADHN CNCC(=O)NCc1ccc(N(C)C(C)=O)cc1 ZINC000877019683 590269910 /nfs/dbraw/zinc/26/99/10/590269910.db2.gz CLMBHBFQHWGWSX-UHFFFAOYSA-N 0 3 249.314 0.505 20 0 BCADHN CCCN(CC(C)C)C(=O)C1=NO[C@H](CN)C1 ZINC000877031286 590271655 /nfs/dbraw/zinc/27/16/55/590271655.db2.gz PDVNWUPFEFYACJ-JTQLQIEISA-N 0 3 241.335 0.985 20 0 BCADHN CC[S@](=O)CCN[C@H](C)Cc1cnccn1 ZINC000877040282 590273415 /nfs/dbraw/zinc/27/34/15/590273415.db2.gz BSNBJRKVLVBZEZ-HWPZZCPQSA-N 0 3 241.360 0.766 20 0 BCADHN C[C@H]1CC[C@H](NC(=O)c2ccc(N)cc2[O-])C[NH2+]1 ZINC000877053021 590275181 /nfs/dbraw/zinc/27/51/81/590275181.db2.gz ZZUODRNDGRJDJZ-WPRPVWTQSA-N 0 3 249.314 0.845 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000877061109 590276023 /nfs/dbraw/zinc/27/60/23/590276023.db2.gz YBQPHCMNAGWJSQ-NOHGZBONSA-N 0 3 239.363 0.428 20 0 BCADHN CO[C@H](CNC[C@@H](O)c1cnn(C)c1)C1CC1 ZINC000877071802 590277559 /nfs/dbraw/zinc/27/75/59/590277559.db2.gz CFQAWMBXGGEUNN-VXGBXAGGSA-N 0 3 239.319 0.468 20 0 BCADHN CCC[C@H](CNC[C@@H](O)c1cnn(C)c1)OC ZINC000877072570 590277784 /nfs/dbraw/zinc/27/77/84/590277784.db2.gz OWIXPKBGUGRAGC-VXGBXAGGSA-N 0 3 241.335 0.858 20 0 BCADHN O=C(NC1(C(F)F)CC1)[C@]1(F)CCNC1 ZINC000877079599 590279508 /nfs/dbraw/zinc/27/95/08/590279508.db2.gz GWODSGHCRQLESZ-QMMMGPOBSA-N 0 3 222.210 0.602 20 0 BCADHN NC1(C(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC1 ZINC000877178202 590297128 /nfs/dbraw/zinc/29/71/28/590297128.db2.gz PSCOLSVKQVPAPW-WLRJLXCNSA-N 0 3 222.288 0.017 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877178385 590297176 /nfs/dbraw/zinc/29/71/76/590297176.db2.gz UKNRJZULEFAWDM-ZNSALQAWSA-N 0 3 238.331 0.524 20 0 BCADHN O=C(CNC1CC1)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877178517 590297474 /nfs/dbraw/zinc/29/74/74/590297474.db2.gz WAPBSVBNHXCYPN-LLHKWGMCSA-N 0 3 236.315 0.278 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877178519 590297811 /nfs/dbraw/zinc/29/78/11/590297811.db2.gz WAPBSVBNHXCYPN-RSOVMYGHSA-N 0 3 236.315 0.278 20 0 BCADHN CN(C)c1cccc(NCc2ncnn2C)n1 ZINC000877191588 590298933 /nfs/dbraw/zinc/29/89/33/590298933.db2.gz BDOUDKWXTGFEJA-UHFFFAOYSA-N 0 3 232.291 0.888 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCc1ccnc(F)c1 ZINC000877202068 590300342 /nfs/dbraw/zinc/30/03/42/590300342.db2.gz XSCRZWFJFBPNPL-MRVPVSSYSA-N 0 3 237.278 0.977 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccnc(F)c1 ZINC000877202465 590300689 /nfs/dbraw/zinc/30/06/89/590300689.db2.gz RFYVIASOGSGLER-QMMMGPOBSA-N 0 3 211.240 0.574 20 0 BCADHN CCC[C@@]1(C)C(=O)NCCN1C(=O)CNCC ZINC000877224342 590301481 /nfs/dbraw/zinc/30/14/81/590301481.db2.gz HVZQWEKKHYZMGB-LBPRGKRZSA-N 0 3 241.335 0.113 20 0 BCADHN [NH3+][C@H]1C[C@H](CNC(=O)c2cc(F)c[n-]c2=O)C1 ZINC000877244328 590302991 /nfs/dbraw/zinc/30/29/91/590302991.db2.gz APYIUETVRMJLRT-FKQCQYRASA-N 0 3 239.250 0.393 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000877251459 590303908 /nfs/dbraw/zinc/30/39/08/590303908.db2.gz QGCAAQCQKSLSJM-VWYCJHECSA-N 0 3 242.363 0.979 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000877249965 590303910 /nfs/dbraw/zinc/30/39/10/590303910.db2.gz CZGBEKFVBGNDJA-NXEZZACHSA-N 0 3 242.363 0.979 20 0 BCADHN CCOC(=O)[C@@H](CC1CC1)NC(=O)C(C)(C)N ZINC000877304491 590308531 /nfs/dbraw/zinc/30/85/31/590308531.db2.gz IWOKCTXGVZPJOQ-SECBINFHSA-N 0 3 242.319 0.572 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCn2nccc21 ZINC000877294010 590308655 /nfs/dbraw/zinc/30/86/55/590308655.db2.gz ZRBSAYQQRCUEMS-MRVPVSSYSA-N 0 3 220.276 0.370 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877308828 590310483 /nfs/dbraw/zinc/31/04/83/590310483.db2.gz CWJOGTRWDFEBSI-KATARQTJSA-N 0 3 212.293 0.407 20 0 BCADHN O=C(CNC1CC1)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877310660 590312086 /nfs/dbraw/zinc/31/20/86/590312086.db2.gz PPONDCSXFDTUQR-ZMLRMANQSA-N 0 3 238.331 0.812 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877310908 590312106 /nfs/dbraw/zinc/31/21/06/590312106.db2.gz SQEDIWUXKBMTAF-RCWTZXSCSA-N 0 3 226.320 0.798 20 0 BCADHN CCNCC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877311581 590313350 /nfs/dbraw/zinc/31/33/50/590313350.db2.gz YLAAGESRTRABCU-VWYCJHECSA-N 0 3 226.320 0.670 20 0 BCADHN CC[C@H](C)[C@@H](CN[C@@]1(CO)CCOC1)OC ZINC000877336144 590317576 /nfs/dbraw/zinc/31/75/76/590317576.db2.gz OYZBPKIYPJKHCH-QJPTWQEYSA-N 0 3 231.336 0.789 20 0 BCADHN OC[C@]1(NC[C@H]2CC2(Cl)Cl)CCOC1 ZINC000877337288 590317905 /nfs/dbraw/zinc/31/79/05/590317905.db2.gz XMUOMGYBHNXKPO-HTQZYQBOSA-N 0 3 240.130 0.921 20 0 BCADHN Cc1csc([C@H]2CCN(C(=O)CN)C2)n1 ZINC000877351974 590318357 /nfs/dbraw/zinc/31/83/57/590318357.db2.gz SSIRQMZGCCXQFE-QMMMGPOBSA-N 0 3 225.317 0.726 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](C)c1nccnc1C ZINC000877430781 590325740 /nfs/dbraw/zinc/32/57/40/590325740.db2.gz QYXCOTRNDWIIKS-ZJUUUORDSA-N 0 3 236.319 0.960 20 0 BCADHN Cc1nccnc1[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000877432919 590326672 /nfs/dbraw/zinc/32/66/72/590326672.db2.gz ZFJSAOIUACKIMO-UWVGGRQHSA-N 0 3 236.319 0.946 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cnn(CC)c1C ZINC000877452056 590329620 /nfs/dbraw/zinc/32/96/20/590329620.db2.gz RWUIQISJQZWMNW-MRVPVSSYSA-N 0 3 210.281 0.887 20 0 BCADHN COc1cccc(C)c1CNC[C@H](O)CO ZINC000877461491 590331325 /nfs/dbraw/zinc/33/13/25/590331325.db2.gz BFOCMVSRVGKJFH-JTQLQIEISA-N 0 3 225.288 0.446 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1Cc1cnc2c(cnn2C)c1 ZINC000877467800 590334208 /nfs/dbraw/zinc/33/42/08/590334208.db2.gz PGLNCAFCAZODJD-BXKDBHETSA-N 0 3 246.314 0.923 20 0 BCADHN O=C1C[C@@H](NCc2cccnc2F)CCCN1 ZINC000877490892 590339621 /nfs/dbraw/zinc/33/96/21/590339621.db2.gz KXGJTOOKTSCKOF-JTQLQIEISA-N 0 3 237.278 0.979 20 0 BCADHN CN(C)CCN(C)CC1CCS(=O)(=O)CC1 ZINC000877523962 590347153 /nfs/dbraw/zinc/34/71/53/590347153.db2.gz OLQHPMDUUCTGRS-UHFFFAOYSA-N 0 3 248.392 0.305 20 0 BCADHN Cn1ncc(CCCNCc2ccns2)n1 ZINC000877551251 590355260 /nfs/dbraw/zinc/35/52/60/590355260.db2.gz WDITXIXVRDUWLG-UHFFFAOYSA-N 0 3 237.332 0.994 20 0 BCADHN CO[C@@H](CNCCS(=O)(=O)C1CC1)C1CC1 ZINC000877591721 590368977 /nfs/dbraw/zinc/36/89/77/590368977.db2.gz YNEBKWVJLUPMOJ-NSHDSACASA-N 0 3 247.360 0.578 20 0 BCADHN CO[C@@H](C)CN1CC[C@H](Nc2ncccn2)C1 ZINC000877603971 590371602 /nfs/dbraw/zinc/37/16/02/590371602.db2.gz VGQAXIMWLSDUOQ-QWRGUYRKSA-N 0 3 236.319 0.998 20 0 BCADHN CCN(OC)C(=O)CN[C@@H](C)[C@@H]1CCCCO1 ZINC000877606539 590371957 /nfs/dbraw/zinc/37/19/57/590371957.db2.gz DNXLNQXZAXNZOA-QWRGUYRKSA-N 0 3 244.335 0.944 20 0 BCADHN CCOC1CC(CNCC(=O)N(CC)OC)C1 ZINC000877606696 590372114 /nfs/dbraw/zinc/37/21/14/590372114.db2.gz IJBGTLRBCZYWND-UHFFFAOYSA-N 0 3 244.335 0.801 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2ccc(Cl)nn2)C1 ZINC000877610081 590372549 /nfs/dbraw/zinc/37/25/49/590372549.db2.gz LEMWUXPERLIDIR-WRXNHJIOSA-N 0 3 240.694 0.484 20 0 BCADHN CCON(C)C(=O)CNC[C@@H](OC)C1CC1 ZINC000877612268 590372828 /nfs/dbraw/zinc/37/28/28/590372828.db2.gz MIOYDRXLWQNWCX-SNVBAGLBSA-N 0 3 230.308 0.411 20 0 BCADHN CCC[C@H](CN[C@H](C)C(=O)N(C)OC)OC ZINC000877660013 590386656 /nfs/dbraw/zinc/38/66/56/590386656.db2.gz GTMUJNPVXXHQSX-NXEZZACHSA-N 0 3 232.324 0.799 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1CS[C@@H](C)C1 ZINC000877660414 590386843 /nfs/dbraw/zinc/38/68/43/590386843.db2.gz LUGWEOPQOGNUMH-YIZRAAEISA-N 0 3 232.349 0.878 20 0 BCADHN CCn1nccc1CNC1CC(C(=O)OC)C1 ZINC000877721278 590400358 /nfs/dbraw/zinc/40/03/58/590400358.db2.gz LZMWLSWULAFVGJ-UHFFFAOYSA-N 0 3 237.303 0.944 20 0 BCADHN COC(=O)C1CC(NCc2c[nH]nc2C)C1 ZINC000877720880 590401078 /nfs/dbraw/zinc/40/10/78/590401078.db2.gz IHUDFUIAQXHVJD-UHFFFAOYSA-N 0 3 223.276 0.759 20 0 BCADHN COC(=O)C1CC(NCc2cc(C)nn2C)C1 ZINC000877724620 590402393 /nfs/dbraw/zinc/40/23/93/590402393.db2.gz ZHKJWISQUFZYQI-UHFFFAOYSA-N 0 3 237.303 0.770 20 0 BCADHN CC[C@@H]1NC(=O)N(C[C@H](C)N(C)C)C1=O ZINC000877878939 590436652 /nfs/dbraw/zinc/43/66/52/590436652.db2.gz ITZYKBIXKRLBEU-YUMQZZPRSA-N 0 3 213.281 0.267 20 0 BCADHN OCC1(CO)CCN(C[C@@H]2CCCCO2)CC1 ZINC000877798430 590425089 /nfs/dbraw/zinc/42/50/89/590425089.db2.gz RGHQRRGLWYCEMM-LBPRGKRZSA-N 0 3 243.347 0.622 20 0 BCADHN C[C@@H](CN1C(=O)NC(C)(C)C1=O)N(C)C ZINC000877872629 590434765 /nfs/dbraw/zinc/43/47/65/590434765.db2.gz KZDPVNIOJYYDDQ-ZETCQYMHSA-N 0 3 213.281 0.267 20 0 BCADHN C=C/C=C/CCN1C(C)C(=O)N(C)S1(=O)=O ZINC000877889673 590440109 /nfs/dbraw/zinc/44/01/09/590440109.db2.gz KSVDIEXDDURREL-CYNONHLPSA-N 0 3 244.316 0.526 20 0 BCADHN COCCN(CCOC)CC[C@H](O)C(C)C ZINC000877914828 590446891 /nfs/dbraw/zinc/44/68/91/590446891.db2.gz HTMBNCPIVXINOM-LBPRGKRZSA-N 0 3 233.352 0.988 20 0 BCADHN C=C/C=C\CCN(C)CC(=O)N1CCOCC1 ZINC000877940758 590452625 /nfs/dbraw/zinc/45/26/25/590452625.db2.gz VNSQDCOVXGUSRL-PLNGDYQASA-N 0 3 238.331 0.909 20 0 BCADHN O[C@H](CN1CCC(O)CC1)CC1(O)CCCC1 ZINC000877944864 590454250 /nfs/dbraw/zinc/45/42/50/590454250.db2.gz UUWLVTKGGZVBEH-LBPRGKRZSA-N 0 3 243.347 0.499 20 0 BCADHN CN(C)CCNC(=O)c1cccn2nccc12 ZINC000877951075 590455759 /nfs/dbraw/zinc/45/57/59/590455759.db2.gz PSBFSFHVJXAIQZ-UHFFFAOYSA-N 0 3 232.287 0.626 20 0 BCADHN CCCCCCN(C)CC(=O)NC[C@H](C)O ZINC000126804963 590458547 /nfs/dbraw/zinc/45/85/47/590458547.db2.gz BAKMXGZJBDFAOX-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN CC(C)CN(CC[C@H](O)C(C)C)CC(N)=O ZINC000877958813 590458745 /nfs/dbraw/zinc/45/87/45/590458745.db2.gz XTUVZAUOFUABLP-NSHDSACASA-N 0 3 230.352 0.837 20 0 BCADHN CCN(CC(=O)N(C)C)C[C@H]1C[C@@H](OC)C1 ZINC000877959297 590458905 /nfs/dbraw/zinc/45/89/05/590458905.db2.gz UVLJYGMOHNRCEJ-PHIMTYICSA-N 0 3 228.336 0.822 20 0 BCADHN CCCCN(CC[C@H](O)C(C)C)CC(N)=O ZINC000877969789 590461968 /nfs/dbraw/zinc/46/19/68/590461968.db2.gz HUGAQKZRFBPFLS-NSHDSACASA-N 0 3 230.352 0.981 20 0 BCADHN CN(C[C@H](O)CC(C)(C)O)C[C@@H]1CCCO1 ZINC000877972775 590463271 /nfs/dbraw/zinc/46/32/71/590463271.db2.gz NXUJZXGHQFEBNY-MNOVXSKESA-N 0 3 231.336 0.619 20 0 BCADHN OC[C@H]1CCCN1C[C@H](O)CC1(O)CCCC1 ZINC000877999556 590468494 /nfs/dbraw/zinc/46/84/94/590468494.db2.gz BISGAPJAESKGDJ-VXGBXAGGSA-N 0 3 243.347 0.499 20 0 BCADHN O[C@@H](CN1CCCOCC1)CC1(O)CCCC1 ZINC000878013570 590470969 /nfs/dbraw/zinc/47/09/69/590470969.db2.gz AFEWCTNKGCCDRH-GFCCVEGCSA-N 0 3 243.347 0.765 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCCNC(=O)C2)C1 ZINC000878039134 590475280 /nfs/dbraw/zinc/47/52/80/590475280.db2.gz LIEWGDDFPAPBHH-AOOOYVTPSA-N 0 3 212.293 0.233 20 0 BCADHN CC(C)[C@H](O)CCN1CCCN(C(N)=O)CC1 ZINC000878036590 590476913 /nfs/dbraw/zinc/47/69/13/590476913.db2.gz NYNLUZRFTABXIY-LLVKDONJSA-N 0 3 243.351 0.480 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCCNC(=O)C1 ZINC000878039461 590477575 /nfs/dbraw/zinc/47/75/75/590477575.db2.gz UQPLRFCJDGJREN-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC(C)(C)O)CCCO1 ZINC000878042289 590479165 /nfs/dbraw/zinc/47/91/65/590479165.db2.gz WSJPDWKOLMJTKC-GHMZBOCLSA-N 0 3 231.336 0.619 20 0 BCADHN CN(Cc1cc[nH]c(=O)c1)[C@H]1CCCCNC1=O ZINC000878052794 590483650 /nfs/dbraw/zinc/48/36/50/590483650.db2.gz PSCGMUIOJANUGB-NSHDSACASA-N 0 3 249.314 0.888 20 0 BCADHN CC(C)[C@H](O)CCN(C)CCN1CCCC1=O ZINC000878102043 590493314 /nfs/dbraw/zinc/49/33/14/590493314.db2.gz NODFOCXHCVUZID-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN CCO[C@@H]1CCCN(CCc2nnnn2C)C1 ZINC000878118263 590499152 /nfs/dbraw/zinc/49/91/52/590499152.db2.gz JRGOEGNCKWRYKU-SNVBAGLBSA-N 0 3 239.323 0.254 20 0 BCADHN CCO[C@H]1CCCN(CCc2nnnn2C)C1 ZINC000878118262 590499677 /nfs/dbraw/zinc/49/96/77/590499677.db2.gz JRGOEGNCKWRYKU-JTQLQIEISA-N 0 3 239.323 0.254 20 0 BCADHN OC[C@H]1CCN(C[C@H](O)CC2(O)CCCC2)C1 ZINC000878126708 590501454 /nfs/dbraw/zinc/50/14/54/590501454.db2.gz YWUIGNDHMOBBJC-NWDGAFQWSA-N 0 3 243.347 0.357 20 0 BCADHN C[C@H](O)CN(C)C[C@@H](O)CC1(O)CCCCC1 ZINC000878130556 590502440 /nfs/dbraw/zinc/50/24/40/590502440.db2.gz ZFXBTTIWVSAGOJ-RYUDHWBXSA-N 0 3 245.363 0.745 20 0 BCADHN C[C@H]1CN(CCc2nnnn2C)C[C@H](C)S1 ZINC000878137349 590504397 /nfs/dbraw/zinc/50/43/97/590504397.db2.gz SRKAYDGBJFGMSN-IUCAKERBSA-N 0 3 241.364 0.578 20 0 BCADHN Cn1nnnc1CCN1CCC(C)(C)C1 ZINC000878148979 590505921 /nfs/dbraw/zinc/50/59/21/590505921.db2.gz LLJGOQBWVYRZDP-UHFFFAOYSA-N 0 3 209.297 0.485 20 0 BCADHN CO[C@@H]1CCN(C[C@@H](O)CC(C)(C)O)C1 ZINC000878165900 590512568 /nfs/dbraw/zinc/51/25/68/590512568.db2.gz HCMJSOIVXXOVFJ-VHSXEESVSA-N 0 3 217.309 0.229 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCN3C(=O)NC[C@H]3C2)C1 ZINC000878174475 590515603 /nfs/dbraw/zinc/51/56/03/590515603.db2.gz PMISMBDBFHQHLW-GARJFASQSA-N 0 3 239.319 0.121 20 0 BCADHN CN(CCOCC1CC1)C[C@H](O)CC(C)(C)O ZINC000878184783 590518986 /nfs/dbraw/zinc/51/89/86/590518986.db2.gz ARZJWMRHQAUHSM-GFCCVEGCSA-N 0 3 245.363 0.867 20 0 BCADHN Cn1nnnc1CCN1CCC2(CCC2)C1 ZINC000878187864 590519882 /nfs/dbraw/zinc/51/98/82/590519882.db2.gz IUYNYLGLFKYNLF-UHFFFAOYSA-N 0 3 221.308 0.629 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1CCC(C)(O)CC1 ZINC000878191704 590520901 /nfs/dbraw/zinc/52/09/01/590520901.db2.gz ZIIKHBAMFWGJHU-SNVBAGLBSA-N 0 3 231.336 0.355 20 0 BCADHN CN(CCOC(C)(C)C)CCn1cnnn1 ZINC000878199439 590522732 /nfs/dbraw/zinc/52/27/32/590522732.db2.gz AHUGHKPPZQXEEI-UHFFFAOYSA-N 0 3 227.312 0.420 20 0 BCADHN c1c[nH]c([C@@H]2CCCN2CCn2cnnn2)c1 ZINC000878213642 590524775 /nfs/dbraw/zinc/52/47/75/590524775.db2.gz LMZTZKFHRIJMOZ-NSHDSACASA-N 0 3 232.291 0.838 20 0 BCADHN CCN(C#N)CCNC1(C(=O)NC)CCCC1 ZINC000878250283 590529134 /nfs/dbraw/zinc/52/91/34/590529134.db2.gz WXRXKOWLGLAQIP-UHFFFAOYSA-N 0 3 238.335 0.438 20 0 BCADHN CSCC[C@H](C)N(C)CCn1cnnn1 ZINC000878249909 590529967 /nfs/dbraw/zinc/52/99/67/590529967.db2.gz AUZQNGSEEAQOCE-VIFPVBQESA-N 0 3 229.353 0.747 20 0 BCADHN NC(=O)C1(NCc2cc[nH]c(=O)c2)CCCC1 ZINC000878255023 590529988 /nfs/dbraw/zinc/52/99/88/590529988.db2.gz BNBBHCBPEWJTMF-UHFFFAOYSA-N 0 3 235.287 0.675 20 0 BCADHN C[C@H]1COCCN(C[C@@H](O)CC(C)(C)O)C1 ZINC000878299681 590537957 /nfs/dbraw/zinc/53/79/57/590537957.db2.gz XTGUEHYHNXORIT-MNOVXSKESA-N 0 3 231.336 0.477 20 0 BCADHN COCC1(O)CCN(CC[C@@H](O)C(C)C)CC1 ZINC000878306044 590538644 /nfs/dbraw/zinc/53/86/44/590538644.db2.gz QGACOGXTMNEMKQ-GFCCVEGCSA-N 0 3 245.363 0.867 20 0 BCADHN CN(CCc1nnnn1C)[C@@H]1CCSC1 ZINC000878304972 590538751 /nfs/dbraw/zinc/53/87/51/590538751.db2.gz STUQCURWCJZCLF-MRVPVSSYSA-N 0 3 227.337 0.190 20 0 BCADHN CO[C@H]1C[C@@H](CN(C)[C@@H]2CCNC2=O)C1 ZINC000878307406 590539954 /nfs/dbraw/zinc/53/99/54/590539954.db2.gz ORIGHSFPTDAXDZ-KXUCPTDWSA-N 0 3 212.293 0.232 20 0 BCADHN Cn1nnnc1CCN1CCCSCC1 ZINC000878314735 590541773 /nfs/dbraw/zinc/54/17/73/590541773.db2.gz ZXAICDBLXHBLOU-UHFFFAOYSA-N 0 3 227.337 0.192 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCOC[C@@H]1CCO ZINC000878318743 590543593 /nfs/dbraw/zinc/54/35/93/590543593.db2.gz XBXWTRKJKWPBKC-SRVKXCTJSA-N 0 3 229.320 0.495 20 0 BCADHN CO[C@H]1C[C@@H](CN2CC[C@H](NC(N)=O)C2)C1 ZINC000878324196 590546115 /nfs/dbraw/zinc/54/61/15/590546115.db2.gz HRPPRKFEAYCKGQ-LPEHRKFASA-N 0 3 227.308 0.154 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@H](C)[C@H](O)C1 ZINC000878335943 590549663 /nfs/dbraw/zinc/54/96/63/590549663.db2.gz SDULVDZERPAIST-GARJFASQSA-N 0 3 217.309 0.085 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCN(C)[C@H](C)[C@H]1C ZINC000878339872 590551194 /nfs/dbraw/zinc/55/11/94/590551194.db2.gz MFWWHKSNAHSBHR-UPJWGTAASA-N 0 3 244.379 0.797 20 0 BCADHN CC[C@H](C)[C@H](C)NCc1nnc2c(=O)[nH]ccn12 ZINC000878366409 590554336 /nfs/dbraw/zinc/55/43/36/590554336.db2.gz NIQILVZPWIXRDA-IUCAKERBSA-N 0 3 249.318 0.942 20 0 BCADHN C[C@H]1CCOCCN1C[C@@H](O)CC(C)(C)O ZINC000878374878 590555378 /nfs/dbraw/zinc/55/53/78/590555378.db2.gz YEBQWPSFFRUFGD-QWRGUYRKSA-N 0 3 231.336 0.619 20 0 BCADHN C[C@@H]1CCOCCN1C[C@H](O)CC(C)(C)O ZINC000878374876 590555578 /nfs/dbraw/zinc/55/55/78/590555578.db2.gz YEBQWPSFFRUFGD-GHMZBOCLSA-N 0 3 231.336 0.619 20 0 BCADHN C[C@@H]1CCOCCN1C[C@H]1CCc2ncnn21 ZINC000878374325 590555719 /nfs/dbraw/zinc/55/57/19/590555719.db2.gz SIVSYCAUNXTOQI-GHMZBOCLSA-N 0 3 236.319 0.876 20 0 BCADHN CN1CCC[C@H](NC(=O)COC2CC2)C1 ZINC000878373345 590555802 /nfs/dbraw/zinc/55/58/02/590555802.db2.gz JBNLSBHOUCVSHE-VIFPVBQESA-N 0 3 212.293 0.376 20 0 BCADHN CCN(C#N)CCN[C@H](CC(=O)OC)C1CC1 ZINC000878415103 590562596 /nfs/dbraw/zinc/56/25/96/590562596.db2.gz VNHHPSSNZZTOMD-LLVKDONJSA-N 0 3 239.319 0.721 20 0 BCADHN O=C1[C@@H](N[C@H](CO)C2CC2)CCN1C1CCC1 ZINC000878419910 590564084 /nfs/dbraw/zinc/56/40/84/590564084.db2.gz KIDWXCJPAZCJBL-NWDGAFQWSA-N 0 3 238.331 0.500 20 0 BCADHN CN1CCC[C@H]1CNC(=O)COC1CC1 ZINC000878428463 590565198 /nfs/dbraw/zinc/56/51/98/590565198.db2.gz NUVOPLGBQBUBRC-VIFPVBQESA-N 0 3 212.293 0.376 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCOC[C@@H]2C[C@@H](C)O)C1 ZINC000878437388 590567067 /nfs/dbraw/zinc/56/70/67/590567067.db2.gz NQVFNWRYLGUDIR-NDBYEHHHSA-N 0 3 243.347 0.883 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCOC[C@H]2C[C@H](C)O)C1 ZINC000878437389 590567322 /nfs/dbraw/zinc/56/73/22/590567322.db2.gz NQVFNWRYLGUDIR-WUHRBBMRSA-N 0 3 243.347 0.883 20 0 BCADHN Cn1nnnc1CCN1CCCC2(CC2)C1 ZINC000878445251 590568536 /nfs/dbraw/zinc/56/85/36/590568536.db2.gz WLLWFCYEMUZPOV-UHFFFAOYSA-N 0 3 221.308 0.629 20 0 BCADHN COCC1=CCN(C[C@@H](O)CC(C)(C)O)CC1 ZINC000878454903 590570676 /nfs/dbraw/zinc/57/06/76/590570676.db2.gz KPFWDUAICQJFBV-LBPRGKRZSA-N 0 3 243.347 0.787 20 0 BCADHN CO[C@H]1C[C@@H](CN2CC[C@@H](C)C[C@@H]2C(N)=O)C1 ZINC000878466739 590573088 /nfs/dbraw/zinc/57/30/88/590573088.db2.gz OOMWWSNFLQESTA-WISYIIOYSA-N 0 3 240.347 0.997 20 0 BCADHN CC(C)(O)C[C@H](O)CN1CC[C@@H](O)C(C)(C)C1 ZINC000878482061 590576060 /nfs/dbraw/zinc/57/60/60/590576060.db2.gz JGCVMBSIXADCPH-WDEREUQCSA-N 0 3 245.363 0.601 20 0 BCADHN CC(C)(O)C[C@H](O)CN1CC[C@H](O)C(C)(C)C1 ZINC000878482060 590576271 /nfs/dbraw/zinc/57/62/71/590576271.db2.gz JGCVMBSIXADCPH-QWRGUYRKSA-N 0 3 245.363 0.601 20 0 BCADHN CO[C@@H]1CN(CCn2cnnn2)CC[C@@H]1C ZINC000878483800 590577239 /nfs/dbraw/zinc/57/72/39/590577239.db2.gz QUERXNAFURCUDA-VHSXEESVSA-N 0 3 225.296 0.030 20 0 BCADHN CCN(CC(N)=O)C[C@H]1C[C@@H](OC)C1 ZINC000878500424 590580397 /nfs/dbraw/zinc/58/03/97/590580397.db2.gz ZGVPTENGTWAUPL-DTORHVGOSA-N 0 3 200.282 0.219 20 0 BCADHN CC(C)[C@H](O)CCN1CC[C@@H](CO)[C@H](O)C1 ZINC000878500718 590580432 /nfs/dbraw/zinc/58/04/32/590580432.db2.gz IRDVVOARELVVGX-QJPTWQEYSA-N 0 3 231.336 0.069 20 0 BCADHN C[C@@H]1CCSCCN1CCc1nnnn1C ZINC000878504622 590581213 /nfs/dbraw/zinc/58/12/13/590581213.db2.gz NSRCUFHEVQHASK-SECBINFHSA-N 0 3 241.364 0.580 20 0 BCADHN C[C@H]1[C@H](C(F)(F)F)CCN1CCn1cnnn1 ZINC000878535437 590588919 /nfs/dbraw/zinc/58/89/19/590588919.db2.gz ZNJWCWDDYFFXAB-JGVFFNPUSA-N 0 3 249.240 0.946 20 0 BCADHN CCN1CCN(C[C@@H](O)CC(C)(C)O)[C@H](C)C1 ZINC000878603689 590594748 /nfs/dbraw/zinc/59/47/48/590594748.db2.gz GKXWYPIPGYBOPE-NEPJUHHUSA-N 0 3 244.379 0.534 20 0 BCADHN CN(CCC(N)=O)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878612682 590596096 /nfs/dbraw/zinc/59/60/96/590596096.db2.gz UUVFWTFPCKYNSR-GARJFASQSA-N 0 3 226.320 0.751 20 0 BCADHN CN(CCC(N)=O)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878612683 590596116 /nfs/dbraw/zinc/59/61/16/590596116.db2.gz UUVFWTFPCKYNSR-OUAUKWLOSA-N 0 3 226.320 0.751 20 0 BCADHN CO[C@@H](C)CN(C)C[C@@H](O)CC(C)(C)O ZINC000878613821 590596612 /nfs/dbraw/zinc/59/66/12/590596612.db2.gz XLZOSUQTPUWDDO-UWVGGRQHSA-N 0 3 219.325 0.475 20 0 BCADHN Cc1cnn([C@H]2CCN(CCn3cnnn3)C2)c1 ZINC000878631860 590597727 /nfs/dbraw/zinc/59/77/27/590597727.db2.gz FOVWJWNXBJDFCG-NSHDSACASA-N 0 3 247.306 0.125 20 0 BCADHN COCC[C@@H](C)N1CCCN(C=O)CC1 ZINC000878637799 590598997 /nfs/dbraw/zinc/59/89/97/590598997.db2.gz LZTRCRMBXBLRDE-LLVKDONJSA-N 0 3 214.309 0.576 20 0 BCADHN COCC[C@H](C)N1CCCN(C=O)CC1 ZINC000878637800 590599030 /nfs/dbraw/zinc/59/90/30/590599030.db2.gz LZTRCRMBXBLRDE-NSHDSACASA-N 0 3 214.309 0.576 20 0 BCADHN Cn1cncc1CCN1CCCN(C=O)CC1 ZINC000878637771 590599112 /nfs/dbraw/zinc/59/91/12/590599112.db2.gz LWMPTJWIBFJQLJ-UHFFFAOYSA-N 0 3 236.319 0.127 20 0 BCADHN CC1(C)CO[C@H](CN2CCCN(C=O)CC2)C1 ZINC000878637902 590599242 /nfs/dbraw/zinc/59/92/42/590599242.db2.gz MWPUFPLDORITAL-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CSC[C@H]1CCCN(CCn2cnnn2)C1 ZINC000878646774 590600958 /nfs/dbraw/zinc/60/09/58/590600958.db2.gz IBMLSGCCTGODNE-JTQLQIEISA-N 0 3 241.364 0.748 20 0 BCADHN CCCN(CC[C@H](O)C(C)C)CC(N)=O ZINC000878646656 590601281 /nfs/dbraw/zinc/60/12/81/590601281.db2.gz DZSOYLNHXGIVNF-JTQLQIEISA-N 0 3 216.325 0.591 20 0 BCADHN CO[C@H]1C[C@@H](CN(C)C(C)(C)C(N)=O)C1 ZINC000878659852 590604767 /nfs/dbraw/zinc/60/47/67/590604767.db2.gz YXBFUBPBRPQYLQ-DTORHVGOSA-N 0 3 214.309 0.607 20 0 BCADHN COC[C@]1(C)CCN(CCc2nnnn2C)C1 ZINC000878662257 590605191 /nfs/dbraw/zinc/60/51/91/590605191.db2.gz AFRSXNLKLOXXQN-LLVKDONJSA-N 0 3 239.323 0.111 20 0 BCADHN Cn1cncc1CCN1CC[C@@](O)(C(F)F)C1 ZINC000878669506 590606881 /nfs/dbraw/zinc/60/68/81/590606881.db2.gz FMDKROQKTRRXNT-NSHDSACASA-N 0 3 245.273 0.665 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCc1cnc[nH]1 ZINC000878688763 590609876 /nfs/dbraw/zinc/60/98/76/590609876.db2.gz QMFDSBJKFNKTKO-NXEZZACHSA-N 0 3 211.265 0.303 20 0 BCADHN COC[C@@H]1CCCCN1CCn1cnnn1 ZINC000878691482 590610373 /nfs/dbraw/zinc/61/03/73/590610373.db2.gz CVNUMUSJMZIDJE-JTQLQIEISA-N 0 3 225.296 0.174 20 0 BCADHN CC(C)(O)C[C@H](O)CN1CCC[C@@H]2COC[C@@H]21 ZINC000878704276 590612336 /nfs/dbraw/zinc/61/23/36/590612336.db2.gz SINWJDYJTQBXOB-WOPDTQHZSA-N 0 3 243.347 0.619 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878705830 590613023 /nfs/dbraw/zinc/61/30/23/590613023.db2.gz JVPYJDBVUCDOJW-KSSYENDESA-N 0 3 241.331 0.947 20 0 BCADHN Cc1nc([C@@H]2CCN(Cc3ccnn3C)C2)n[nH]1 ZINC000878712015 590613668 /nfs/dbraw/zinc/61/36/68/590613668.db2.gz ULZUEZCECRVNQU-SNVBAGLBSA-N 0 3 246.318 0.836 20 0 BCADHN Cc1n[nH]c([C@@H]2CCN(Cc3ccnn3C)C2)n1 ZINC000878712015 590613669 /nfs/dbraw/zinc/61/36/69/590613669.db2.gz ULZUEZCECRVNQU-SNVBAGLBSA-N 0 3 246.318 0.836 20 0 BCADHN Cc1nnc([C@@H]2CCN(Cc3ccnn3C)C2)[nH]1 ZINC000878712015 590613670 /nfs/dbraw/zinc/61/36/70/590613670.db2.gz ULZUEZCECRVNQU-SNVBAGLBSA-N 0 3 246.318 0.836 20 0 BCADHN CC(C)[C@H](O)CCN1CC(C)(C(N)=O)C1 ZINC000878757280 590618451 /nfs/dbraw/zinc/61/84/51/590618451.db2.gz GYJVYOIEHAYFOW-SECBINFHSA-N 0 3 214.309 0.201 20 0 BCADHN Cn1nnnc1CCN1C[C@@H]2CCCC[C@@H]21 ZINC000878848728 590629567 /nfs/dbraw/zinc/62/95/67/590629567.db2.gz ADBVPDXHLHYOBI-UWVGGRQHSA-N 0 3 221.308 0.627 20 0 BCADHN CCN1[C@H](C)CN([C@H]2CCOC2=O)C[C@@H]1C ZINC000878838039 590630351 /nfs/dbraw/zinc/63/03/51/590630351.db2.gz HMNJJSUXLIYOHQ-AXFHLTTASA-N 0 3 226.320 0.716 20 0 BCADHN C=C/C=C/CCN[C@]1(C(N)=O)CCOC1 ZINC000878847729 590633005 /nfs/dbraw/zinc/63/30/05/590633005.db2.gz VWSMUKFYLPXIHP-PGLGOXFNSA-N 0 3 210.277 0.353 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)COC1CC1 ZINC000878859704 590634772 /nfs/dbraw/zinc/63/47/72/590634772.db2.gz OFNNNQVTHKUJNQ-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN OC[C@@H]1CC[C@@H](CO)N1C/C=C\Cl ZINC000878883502 590639959 /nfs/dbraw/zinc/63/99/59/590639959.db2.gz XNBXSOMRKDVINB-FAOWZUCXSA-N 0 3 205.685 0.557 20 0 BCADHN C[C@H](C(=O)N1CCC12CCN(C)CC2)N(C)C ZINC000878954723 590661805 /nfs/dbraw/zinc/66/18/05/590661805.db2.gz DDSUPFCCDQKPJO-LLVKDONJSA-N 0 3 239.363 0.633 20 0 BCADHN Cn1nnnc1CCN1CC[C@@H]2C[C@@H]2C1 ZINC000878988821 590668630 /nfs/dbraw/zinc/66/86/30/590668630.db2.gz QWBDRCZOFNUCHJ-RKDXNWHRSA-N 0 3 207.281 0.094 20 0 BCADHN CN(CCc1nnnn1C)CC1=CCSC1 ZINC000878998863 590674413 /nfs/dbraw/zinc/67/44/13/590674413.db2.gz YUBJEWXPCWPXEP-UHFFFAOYSA-N 0 3 239.348 0.358 20 0 BCADHN C[C@@H]1CN(CCn2cnnn2)C[C@@H](C)C1(F)F ZINC000879030369 590681031 /nfs/dbraw/zinc/68/10/31/590681031.db2.gz IMXKCARTFBUJEG-RKDXNWHRSA-N 0 3 245.277 0.896 20 0 BCADHN C[C@@H]1CN(CCn2cnnn2)C[C@H](C)C1(F)F ZINC000879030365 590680699 /nfs/dbraw/zinc/68/06/99/590680699.db2.gz IMXKCARTFBUJEG-DTORHVGOSA-N 0 3 245.277 0.896 20 0 BCADHN CO[C@H](C)CN1CCC([C@H](F)C(N)=O)CC1 ZINC000879044143 590685493 /nfs/dbraw/zinc/68/54/93/590685493.db2.gz PWSMTGSYGGBBPQ-SCZZXKLOSA-N 0 3 232.299 0.557 20 0 BCADHN CC[C@@H](O)CN1CCC([C@H](F)C(N)=O)CC1 ZINC000879044155 590685837 /nfs/dbraw/zinc/68/58/37/590685837.db2.gz PXLHYHOKFFBTGF-ZJUUUORDSA-N 0 3 232.299 0.293 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)COC1CC1 ZINC000879143247 590702686 /nfs/dbraw/zinc/70/26/86/590702686.db2.gz DUMSTPMORLCDCS-BXKDBHETSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@]12CN(C/C=C\Cl)C[C@]1(C)C(=O)NC2=O ZINC000879159917 590706083 /nfs/dbraw/zinc/70/60/83/590706083.db2.gz YXZVASUELRNPET-ANDSXOESSA-N 0 3 242.706 0.724 20 0 BCADHN COC[C@](C)(CO)NCCOC(F)F ZINC000879161854 590706233 /nfs/dbraw/zinc/70/62/33/590706233.db2.gz DXZYRBAFJZJEDW-QMMMGPOBSA-N 0 3 213.224 0.213 20 0 BCADHN COC[C@@](C)(CO)NC[C@H](O)c1ccccn1 ZINC000879162916 590706509 /nfs/dbraw/zinc/70/65/09/590706509.db2.gz OMYVYVCXVBQKCF-NWDGAFQWSA-N 0 3 240.303 0.102 20 0 BCADHN C[C@H](O)CN1CCc2c(CC(N)=O)cccc2C1 ZINC000879232238 590718082 /nfs/dbraw/zinc/71/80/82/590718082.db2.gz ADVCBLVUOJVFLW-JTQLQIEISA-N 0 3 248.326 0.453 20 0 BCADHN CNC(=O)CN1CCCCCCNC(=O)CC1 ZINC000879254670 590722640 /nfs/dbraw/zinc/72/26/40/590722640.db2.gz ROEZLBCXCPKWNP-UHFFFAOYSA-N 0 3 241.335 0.115 20 0 BCADHN CO[C@@H]1CC[C@H](C)N(CC[S@](C)=O)C1 ZINC000879326428 590745514 /nfs/dbraw/zinc/74/55/14/590745514.db2.gz REYVYNVOKOZCEL-RBZYPMLTSA-N 0 3 219.350 0.864 20 0 BCADHN CO[C@@H]1CC[C@@H](C)N(C[C@@H]2CCC(=O)N2)C1 ZINC000879325514 590746772 /nfs/dbraw/zinc/74/67/72/590746772.db2.gz NUNZSEPXQXEGLG-OUAUKWLOSA-N 0 3 226.320 0.764 20 0 BCADHN CO[C@H]1CC[C@H](C)N(CCc2cn(C)nn2)C1 ZINC000879327430 590747927 /nfs/dbraw/zinc/74/79/27/590747927.db2.gz XYHNLGJSNAGNTF-JQWIXIFHSA-N 0 3 238.335 0.857 20 0 BCADHN CCOCCN1CCCC[C@H]1CNC(=O)NC ZINC000879333675 590748933 /nfs/dbraw/zinc/74/89/33/590748933.db2.gz CGDNHQGLMFYXGE-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN OC[C@@H]1CCCN(CCOC(F)F)[C@@H]1CO ZINC000879366486 590753351 /nfs/dbraw/zinc/75/33/51/590753351.db2.gz HSJXHHQVOGFIJD-DTWKUNHWSA-N 0 3 239.262 0.291 20 0 BCADHN CC(C)(NCCS(C)(=O)=O)[C@H]1CCCCO1 ZINC000879409629 590763083 /nfs/dbraw/zinc/76/30/83/590763083.db2.gz FUPRBUHQDQDOAC-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN C[S@](=O)CCN1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000879420114 590766242 /nfs/dbraw/zinc/76/62/42/590766242.db2.gz SFLOGANZDCSTMQ-BUWBCJGYSA-N 0 3 245.388 0.990 20 0 BCADHN O[C@@H]1CCN(CC2OCCO2)[C@H]2CCCC[C@H]12 ZINC000879419730 590766565 /nfs/dbraw/zinc/76/65/65/590766565.db2.gz PSDNSEMCVOGIGU-SDDRHHMPSA-N 0 3 241.331 0.985 20 0 BCADHN COC[C@H](C)N(CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879485859 590778764 /nfs/dbraw/zinc/77/87/64/590778764.db2.gz HZDAZMSDRKROIE-JOYOIKCWSA-N 0 3 240.347 0.997 20 0 BCADHN COC[C@H](C)N(CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879485857 590780029 /nfs/dbraw/zinc/78/00/29/590780029.db2.gz HZDAZMSDRKROIE-CABZTGNLSA-N 0 3 240.347 0.997 20 0 BCADHN CCN1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879482271 590780393 /nfs/dbraw/zinc/78/03/93/590780393.db2.gz QNJPCZMMIPUAHP-JTQLQIEISA-N 0 3 212.249 0.400 20 0 BCADHN C[C@@H](O)CCN(CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487902 590781155 /nfs/dbraw/zinc/78/11/55/590781155.db2.gz NTKVZSPPWJKTMR-BXKDBHETSA-N 0 3 240.347 0.733 20 0 BCADHN C[C@H](O)CN(CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879486857 590781820 /nfs/dbraw/zinc/78/18/20/590781820.db2.gz QUVSRVGUAZNPQL-GZMMTYOYSA-N 0 3 226.320 0.343 20 0 BCADHN O=C(CN1CC[C@@H]2CSC[C@H]2C1)N1CCC1 ZINC000879558734 590800591 /nfs/dbraw/zinc/80/05/91/590800591.db2.gz PCARSOUVHZKJQP-GHMZBOCLSA-N 0 3 240.372 0.904 20 0 BCADHN CN1CC[C@H](N2CC[C@H]3CSC[C@H]3C2)C1=O ZINC000879557916 590800993 /nfs/dbraw/zinc/80/09/93/590800993.db2.gz FYGHOGWWYLAPCE-AXFHLTTASA-N 0 3 240.372 0.902 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@H]2CSC[C@H]2C1 ZINC000879558916 590802093 /nfs/dbraw/zinc/80/20/93/590802093.db2.gz MCWLMSARUFVJLW-AEJSXWLSSA-N 0 3 226.345 0.560 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@@H]2CSC[C@@H]2C1 ZINC000879562188 590802678 /nfs/dbraw/zinc/80/26/78/590802678.db2.gz BMWKEIHVGQWZNS-VWYCJHECSA-N 0 3 240.372 0.950 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@@H]2CSC[C@@H]2C1 ZINC000879558922 590802839 /nfs/dbraw/zinc/80/28/39/590802839.db2.gz MCWLMSARUFVJLW-UTLUCORTSA-N 0 3 226.345 0.560 20 0 BCADHN O[C@@H](CN1CC[C@@H](O)[C@@H](O)C1)c1ccccc1 ZINC000879609452 590827794 /nfs/dbraw/zinc/82/77/94/590827794.db2.gz WLZLXPLHHVKZQN-AGIUHOORSA-N 0 3 237.299 0.148 20 0 BCADHN O[C@@H]1CCN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)C[C@@H]1O ZINC000879608691 590827878 /nfs/dbraw/zinc/82/78/78/590827878.db2.gz SPIGKGQZOYINFI-FHUSYTEZSA-N 0 3 241.331 0.372 20 0 BCADHN O[C@@H]1CCN(CCc2cccs2)C[C@@H]1O ZINC000879612337 590829584 /nfs/dbraw/zinc/82/95/84/590829584.db2.gz WYFDHOJGTCRSLD-MNOVXSKESA-N 0 3 227.329 0.718 20 0 BCADHN CCCCCCN1CC[C@@H](O)[C@@H](O)C1 ZINC000879612203 590831121 /nfs/dbraw/zinc/83/11/21/590831121.db2.gz SOYYSJOBLIBVRU-MNOVXSKESA-N 0 3 201.310 0.994 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@H](O)CC(C)(C)C1 ZINC000879617652 590832867 /nfs/dbraw/zinc/83/28/67/590832867.db2.gz QLJRKHZZAKWCNB-NEPJUHHUSA-N 0 3 245.363 0.865 20 0 BCADHN COCCOCCN1C[C@H](O)CC(C)(C)C1 ZINC000879619843 590834769 /nfs/dbraw/zinc/83/47/69/590834769.db2.gz DEAVMJLSAHVNNH-LLVKDONJSA-N 0 3 231.336 0.742 20 0 BCADHN CC(=O)NCCCN1C[C@H](O)CC(C)(C)C1 ZINC000879619327 590834884 /nfs/dbraw/zinc/83/48/84/590834884.db2.gz QZIZDPWKAMNVNA-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CC1(C)C[C@H](O)CN(C[C@@H]2CCC(=O)N2)C1 ZINC000879624235 590837696 /nfs/dbraw/zinc/83/76/96/590837696.db2.gz PFBQQCDHIDBIIR-UWVGGRQHSA-N 0 3 226.320 0.358 20 0 BCADHN CC(=O)[C@](C)(O)CN1C[C@H](O)CC(C)(C)C1 ZINC000879623971 590838218 /nfs/dbraw/zinc/83/82/18/590838218.db2.gz JZMBCFMJLGKGQM-ZYHUDNBSSA-N 0 3 229.320 0.419 20 0 BCADHN CC(=O)[C@@](C)(O)CN[C@H](C)c1ccnn1C ZINC000879686820 590848415 /nfs/dbraw/zinc/84/84/15/590848415.db2.gz JTBQLWYBUURWIF-KCJUWKMLSA-N 0 3 225.292 0.411 20 0 BCADHN Cc1ccnc(CN2C[C@H](CO)[C@H](CO)C2)c1 ZINC000879695842 590851435 /nfs/dbraw/zinc/85/14/35/590851435.db2.gz TUPRKOGRPDBVRG-TXEJJXNPSA-N 0 3 236.315 0.423 20 0 BCADHN COCCN(CC[S@@](C)=O)C1CCOCC1 ZINC000879708619 590853904 /nfs/dbraw/zinc/85/39/04/590853904.db2.gz CAYKVHFZUKRBPQ-MRXNPFEDSA-N 0 3 249.376 0.492 20 0 BCADHN CO[N-]C(=O)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000879923220 590889711 /nfs/dbraw/zinc/88/97/11/590889711.db2.gz UHXCXZNNPWJRPO-LLVKDONJSA-N 0 3 242.319 0.555 20 0 BCADHN CONC(=O)C1CCN(C[C@H]2CCCO2)CC1 ZINC000879923220 590889712 /nfs/dbraw/zinc/88/97/12/590889712.db2.gz UHXCXZNNPWJRPO-LLVKDONJSA-N 0 3 242.319 0.555 20 0 BCADHN CCC[C@@H](O)C[NH+]1CCC(C(=O)[N-]OC)CC1 ZINC000879926476 590890555 /nfs/dbraw/zinc/89/05/55/590890555.db2.gz TWTHMDSQBVXJQK-LLVKDONJSA-N 0 3 244.335 0.537 20 0 BCADHN CCC[C@H](O)C[NH+]1CCC(C(=O)[N-]OC)CC1 ZINC000879926477 590890613 /nfs/dbraw/zinc/89/06/13/590890613.db2.gz TWTHMDSQBVXJQK-NSHDSACASA-N 0 3 244.335 0.537 20 0 BCADHN OCC1(CO)CCN(CCOC2CCC2)CC1 ZINC000879970776 590900662 /nfs/dbraw/zinc/90/06/62/590900662.db2.gz BGLINWPOZAPLCC-UHFFFAOYSA-N 0 3 243.347 0.622 20 0 BCADHN CCC(=O)CCN1CCC(CO)(CO)CC1 ZINC000879971355 590900676 /nfs/dbraw/zinc/90/06/76/590900676.db2.gz RFUIUCYXNBBLRN-UHFFFAOYSA-N 0 3 229.320 0.422 20 0 BCADHN C[C@@H]1CC[C@@H](CN2CCC(CO)(CO)CC2)O1 ZINC000879971278 590900985 /nfs/dbraw/zinc/90/09/85/590900985.db2.gz OTUOJDHFXMNEGD-NEPJUHHUSA-N 0 3 243.347 0.621 20 0 BCADHN C[C@@H](O)CCCN1CCC(CO)(CO)CC1 ZINC000879971609 590902592 /nfs/dbraw/zinc/90/25/92/590902592.db2.gz YVVIJVXXAQYQDL-LLVKDONJSA-N 0 3 231.336 0.214 20 0 BCADHN CC(C)[C@@H](F)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000879995719 590905495 /nfs/dbraw/zinc/90/54/95/590905495.db2.gz WUJFBEHPYIWDFH-GHMZBOCLSA-N 0 3 246.326 0.553 20 0 BCADHN OC[C@H]1CN2CCC[C@H]2CN1CCF ZINC000880070117 590916221 /nfs/dbraw/zinc/91/62/21/590916221.db2.gz LAUYHBAAWVEQNV-VHSXEESVSA-N 0 3 202.273 0.097 20 0 BCADHN OC[C@H]1CN2CCC[C@H]2CN1C[C@@H]1CCCO1 ZINC000880070183 590917225 /nfs/dbraw/zinc/91/72/25/590917225.db2.gz AUEYVNWTCOPKHV-XQQFMLRXSA-N 0 3 240.347 0.306 20 0 BCADHN CN1C[C@H]2CCN(C(=O)COC3CC3)[C@@H]2C1 ZINC000880090132 590922856 /nfs/dbraw/zinc/92/28/56/590922856.db2.gz GYNRBXBFKCZCHA-MWLCHTKSSA-N 0 3 224.304 0.328 20 0 BCADHN CN(C)C(=O)CN1CC[C@@H]2[C@H]1CCCN2C ZINC000880131251 590935260 /nfs/dbraw/zinc/93/52/60/590935260.db2.gz SIANZVWADRDTGJ-GHMZBOCLSA-N 0 3 225.336 0.243 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2CC1OCCO1 ZINC000880135975 590935369 /nfs/dbraw/zinc/93/53/69/590935369.db2.gz CZDYAUFLZSORTJ-GHMZBOCLSA-N 0 3 226.320 0.528 20 0 BCADHN Cn1ncc(CN2CC[C@@H]3[C@@H]2CCCN3C)n1 ZINC000880142518 590942689 /nfs/dbraw/zinc/94/26/89/590942689.db2.gz PSOHEZCAZLDCCJ-NEPJUHHUSA-N 0 3 235.335 0.484 20 0 BCADHN C[C@H](CO)CN1CCNC(=O)CC12CCC2 ZINC000880169205 590948531 /nfs/dbraw/zinc/94/85/31/590948531.db2.gz NZHSSEZIIIRMSH-JTQLQIEISA-N 0 3 226.320 0.359 20 0 BCADHN O=C1CC2(CCC2)N(CCn2cccn2)CCN1 ZINC000880167933 590948648 /nfs/dbraw/zinc/94/86/48/590948648.db2.gz UUUCJOVTIYHBOO-UHFFFAOYSA-N 0 3 248.330 0.628 20 0 BCADHN C[C@@H](O)CCN1CCNC(=O)CC12CCC2 ZINC000880166631 590948901 /nfs/dbraw/zinc/94/89/01/590948901.db2.gz HQKXNKXQNHSDPG-SNVBAGLBSA-N 0 3 226.320 0.502 20 0 BCADHN COCC1(N(C)CCn2cncn2)CCC1 ZINC000880185449 590952943 /nfs/dbraw/zinc/95/29/43/590952943.db2.gz OQWCSMXCFILUCK-UHFFFAOYSA-N 0 3 224.308 0.779 20 0 BCADHN CN(C)C(=O)CN1CCC[C@@H](CF)C1 ZINC000880230056 590961567 /nfs/dbraw/zinc/96/15/67/590961567.db2.gz HLPBFHROEFKMMZ-VIFPVBQESA-N 0 3 202.273 0.756 20 0 BCADHN O=C1CCC(=O)N1CCN1CCC[C@@H](CF)C1 ZINC000880232634 590962430 /nfs/dbraw/zinc/96/24/30/590962430.db2.gz PBRIFRRKLNOVII-JTQLQIEISA-N 0 3 242.294 0.817 20 0 BCADHN O=C1NCC[C@@H]1N1CCC[C@H](CF)C1 ZINC000880235216 590966758 /nfs/dbraw/zinc/96/67/58/590966758.db2.gz ZIDQILGTQFVYQL-BDAKNGLRSA-N 0 3 200.257 0.556 20 0 BCADHN O=C1CC[C@H](N2CCC[C@H](CF)C2)C(=O)N1 ZINC000880237299 590968587 /nfs/dbraw/zinc/96/85/87/590968587.db2.gz UWJWZZBZVFZFND-BDAKNGLRSA-N 0 3 228.267 0.473 20 0 BCADHN O=C1CC[C@@H](CN2CCC[C@@H](CF)C2)N1 ZINC000880237797 590969886 /nfs/dbraw/zinc/96/98/86/590969886.db2.gz HUGRTLRNKIMYNF-UWVGGRQHSA-N 0 3 214.284 0.947 20 0 BCADHN CCNC(=O)CCN1CCC(F)CC1 ZINC000880242636 590975802 /nfs/dbraw/zinc/97/58/02/590975802.db2.gz GEUOEXNPXBIISU-UHFFFAOYSA-N 0 3 202.273 0.947 20 0 BCADHN C[C@H](C(N)=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880259803 590980393 /nfs/dbraw/zinc/98/03/93/590980393.db2.gz IZORPTHTSJQMSI-WDEREUQCSA-N 0 3 248.330 0.466 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@@H](CF)C1 ZINC000880297282 590982927 /nfs/dbraw/zinc/98/29/27/590982927.db2.gz MCYUWXOBKLUMIO-IUCAKERBSA-N 0 3 200.257 0.556 20 0 BCADHN O=C(CN1CC[C@@H](CF)C1)N1CCCC1 ZINC000880291033 590985694 /nfs/dbraw/zinc/98/56/94/590985694.db2.gz BBZJKPLCCKXVEO-JTQLQIEISA-N 0 3 214.284 0.900 20 0 BCADHN O=C1CNC(=O)N1CCCN1CC[C@H](CF)C1 ZINC000880293302 590987527 /nfs/dbraw/zinc/98/75/27/590987527.db2.gz HAXWAFVNSJOUBV-SECBINFHSA-N 0 3 243.282 0.220 20 0 BCADHN COCCCNC(=O)[C@H](C)N1CC[C@H](CF)C1 ZINC000880294469 590988588 /nfs/dbraw/zinc/98/85/88/590988588.db2.gz BPYWUKWJQJDBPZ-WDEREUQCSA-N 0 3 246.326 0.819 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@H](CF)C2)CCO1 ZINC000880299417 590993461 /nfs/dbraw/zinc/99/34/61/590993461.db2.gz SNVBYRLXQRRSAD-VXGBXAGGSA-N 0 3 230.327 0.999 20 0 BCADHN C[C@H]1CN(CCN2CC[C@@H](CF)C2)CCO1 ZINC000880299415 590993962 /nfs/dbraw/zinc/99/39/62/590993962.db2.gz SNVBYRLXQRRSAD-RYUDHWBXSA-N 0 3 230.327 0.999 20 0 BCADHN CCN1CC[C@H](N2CC[C@H](CF)C2)C1=O ZINC000880300456 590997676 /nfs/dbraw/zinc/99/76/76/590997676.db2.gz SXFBZKRUAOCGOI-ZJUUUORDSA-N 0 3 214.284 0.899 20 0 BCADHN CC(=O)N1C[C@H]2CN(Cc3cnoc3C)C[C@H]2C1 ZINC000880312027 591001333 /nfs/dbraw/zinc/00/13/33/591001333.db2.gz RLKSAGHELGSJTI-BETUJISGSA-N 0 3 249.314 0.893 20 0 BCADHN NC(=O)CN(CCCF)C1CCOCC1 ZINC000880392970 591019462 /nfs/dbraw/zinc/01/94/62/591019462.db2.gz KFPMBYWZILBZNG-UHFFFAOYSA-N 0 3 218.272 0.312 20 0 BCADHN Cc1nn(C)c(C)c1CN1C[C@H]2C[C@@]2(O)C1 ZINC000880417936 591022945 /nfs/dbraw/zinc/02/29/45/591022945.db2.gz XNGZFCLVQHJBNV-ZYHUDNBSSA-N 0 3 221.304 0.604 20 0 BCADHN O[C@]12C[C@H]1CN(Cc1ccc3nonc3c1)C2 ZINC000880418668 591027440 /nfs/dbraw/zinc/02/74/40/591027440.db2.gz CJFIRFDUBGQXEO-CABZTGNLSA-N 0 3 231.255 0.789 20 0 BCADHN CO[C@@H]1COCC[C@@H]1N(C)Cc1cnn(C)c1 ZINC000880428683 591032368 /nfs/dbraw/zinc/03/23/68/591032368.db2.gz RXKNPXMGOFXIOW-NWDGAFQWSA-N 0 3 239.319 0.656 20 0 BCADHN CO[C@H]1COCC[C@H]1N(C)CCn1cncn1 ZINC000880429714 591034035 /nfs/dbraw/zinc/03/40/35/591034035.db2.gz WZRPRPMMYMCXMC-MNOVXSKESA-N 0 3 240.307 0.014 20 0 BCADHN CO[C@@H]1COCC[C@H]1N(C)C[C@@H]1COCCO1 ZINC000880435578 591036890 /nfs/dbraw/zinc/03/68/90/591036890.db2.gz NANSSHAYSDJNJI-IJLUTSLNSA-N 0 3 245.319 0.138 20 0 BCADHN CO[C@H]1COCC[C@H]1N(C)CCOC(F)F ZINC000880436642 591039015 /nfs/dbraw/zinc/03/90/15/591039015.db2.gz YOSQFMSGMLILKN-BDAKNGLRSA-N 0 3 239.262 0.961 20 0 BCADHN CO[C@@H]1COCC[C@H]1N(C)C[C@H]1CCC(=O)O1 ZINC000880438004 591039858 /nfs/dbraw/zinc/03/98/58/591039858.db2.gz VPGHXRPQMMFFRK-GMTAPVOTSA-N 0 3 243.303 0.428 20 0 BCADHN CCN(C)C(=O)CN1[C@@H](C)CC[C@H]1CO ZINC000880441002 591043449 /nfs/dbraw/zinc/04/34/49/591043449.db2.gz NEENCKZVNXEJER-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN Cn1ccc(CN2CC=C[C@@H]2CO)cc1=O ZINC000880484979 591057972 /nfs/dbraw/zinc/05/79/72/591057972.db2.gz CIUJISLQAQZLNX-LLVKDONJSA-N 0 3 220.272 0.118 20 0 BCADHN CC1(C)OC[C@@H](CN2CC=C[C@H]2CO)O1 ZINC000880490561 591068187 /nfs/dbraw/zinc/06/81/87/591068187.db2.gz BPVIFWHMWWOBJF-VHSXEESVSA-N 0 3 213.277 0.371 20 0 BCADHN CC(C)CNC(=O)CCCN1CC=C[C@H]1CO ZINC000880492379 591069407 /nfs/dbraw/zinc/06/94/07/591069407.db2.gz QVWHODWMBVOODQ-LBPRGKRZSA-N 0 3 240.347 0.772 20 0 BCADHN COC(=O)CC1(CN2CC=C[C@H]2CO)CC1 ZINC000880491816 591069858 /nfs/dbraw/zinc/06/98/58/591069858.db2.gz MAIIIBJLFPXBKA-JTQLQIEISA-N 0 3 225.288 0.562 20 0 BCADHN OC[C@H]1C=CCN1CCOC1CCOCC1 ZINC000880493338 591071751 /nfs/dbraw/zinc/07/17/51/591071751.db2.gz ASJZKGPFTODXRZ-LLVKDONJSA-N 0 3 227.304 0.415 20 0 BCADHN CNC(=O)CN[C@@H]1CCC[C@]12CCCO2 ZINC000880502513 591076779 /nfs/dbraw/zinc/07/67/79/591076779.db2.gz KHSHRDRVEBYZLY-KOLCDFICSA-N 0 3 212.293 0.424 20 0 BCADHN C[C@H](N[C@@H]1CCC[C@]12CCCO2)C(N)=O ZINC000880505147 591079619 /nfs/dbraw/zinc/07/96/19/591079619.db2.gz IRHWKULPIZTPOO-NGZCFLSTSA-N 0 3 212.293 0.552 20 0 BCADHN O=C1NCC[C@H]1N[C@@H]1CCC[C@]12CCCO2 ZINC000880514941 591082880 /nfs/dbraw/zinc/08/28/80/591082880.db2.gz DFBXIQMKQZFXOV-FOGDFJRCSA-N 0 3 224.304 0.566 20 0 BCADHN COC(CN1CCC2(CC1)COCCO2)OC ZINC000880546371 591087630 /nfs/dbraw/zinc/08/76/30/591087630.db2.gz MUFDWIIYOFMOAL-UHFFFAOYSA-N 0 3 245.319 0.487 20 0 BCADHN CCC(=O)CCCN1CC[C@@](O)(C(=O)OC)C1 ZINC000880564530 591093912 /nfs/dbraw/zinc/09/39/12/591093912.db2.gz ATUDZUYJNUPKBJ-LBPRGKRZSA-N 0 3 243.303 0.356 20 0 BCADHN COC(=O)[C@]1(O)CCN(CCOCC(C)C)C1 ZINC000880564844 591093944 /nfs/dbraw/zinc/09/39/44/591093944.db2.gz FUWKEOQRMBGFDD-LBPRGKRZSA-N 0 3 245.319 0.269 20 0 BCADHN CC/C=C/CCN1CC[C@@](O)(C(=O)OC)C1 ZINC000880565090 591094639 /nfs/dbraw/zinc/09/46/39/591094639.db2.gz BNPMZVNCHGIBKV-ITKZLYELSA-N 0 3 227.304 0.953 20 0 BCADHN C=C/C=C/CCN1CC[C@@](O)(C(=O)OC)C1 ZINC000880567469 591096635 /nfs/dbraw/zinc/09/66/35/591096635.db2.gz ICJFCMWPISRRAH-ITKZLYELSA-N 0 3 225.288 0.729 20 0 BCADHN COCCCN(C)[C@@H](CC(C)C)C(N)=O ZINC000880587761 591101671 /nfs/dbraw/zinc/10/16/71/591101671.db2.gz LHYZSUMENBPGOD-JTQLQIEISA-N 0 3 216.325 0.855 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)C[C@H]1CCOC1 ZINC000880588308 591102178 /nfs/dbraw/zinc/10/21/78/591102178.db2.gz TUXXDAPJZCOZEO-MNOVXSKESA-N 0 3 228.336 0.855 20 0 BCADHN COCC1CN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000880594719 591105753 /nfs/dbraw/zinc/10/57/53/591105753.db2.gz JWMZWNIVFKJIBL-LLVKDONJSA-N 0 3 228.336 0.677 20 0 BCADHN CCN1[C@H](C)CN(C(=O)[C@H](C)N(C)C)C[C@@H]1C ZINC000880611527 591111159 /nfs/dbraw/zinc/11/11/59/591111159.db2.gz UUYDQBIMNQSPLA-TUAOUCFPSA-N 0 3 241.379 0.878 20 0 BCADHN CC[C@@H](C(=O)NC1CSC1)N(C)C ZINC000880733115 591132889 /nfs/dbraw/zinc/13/28/89/591132889.db2.gz DTSGPTTUFQSRSY-QMMMGPOBSA-N 0 3 202.323 0.558 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000888848775 591152693 /nfs/dbraw/zinc/15/26/93/591152693.db2.gz IONBKDBZIVXMMY-OQEOFVATSA-N 0 3 238.331 0.620 20 0 BCADHN C/C=C\C(=O)NCCCN1CCN(C)CC1 ZINC000211394191 591163777 /nfs/dbraw/zinc/16/37/77/591163777.db2.gz SGWFWUMVIWAWJE-HYXAFXHYSA-N 0 3 225.336 0.316 20 0 BCADHN CN(C)CCc1cn(Cc2cnsn2)nn1 ZINC000881300758 591183909 /nfs/dbraw/zinc/18/39/09/591183909.db2.gz HCNYZCVINBYZSE-UHFFFAOYSA-N 0 3 238.320 0.282 20 0 BCADHN CC(C)NC(=O)NCCn1cc([C@H](C)N)nn1 ZINC000881328679 591193408 /nfs/dbraw/zinc/19/34/08/591193408.db2.gz JMSKBOJQOOPPLX-QMMMGPOBSA-N 0 3 240.311 0.005 20 0 BCADHN CC(C)[C@H](N)c1cn(Cc2cnon2)nn1 ZINC000881359349 591195814 /nfs/dbraw/zinc/19/58/14/591195814.db2.gz MMBKPFDADFCMFF-VIFPVBQESA-N 0 3 222.252 0.365 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2cnn(CC)n2)nn1 ZINC000881373494 591196565 /nfs/dbraw/zinc/19/65/65/591196565.db2.gz PLGKMAPHVKWDDA-SNVBAGLBSA-N 0 3 249.322 0.738 20 0 BCADHN CCn1ncc(Cn2cc([C@@](C)(N)CC)nn2)n1 ZINC000881373871 591197087 /nfs/dbraw/zinc/19/70/87/591197087.db2.gz QZSJVEYZQPDPQJ-NSHDSACASA-N 0 3 249.322 0.522 20 0 BCADHN CCn1ncc(Cn2cc([C@@H](N)C(C)C)nn2)n1 ZINC000881372579 591197213 /nfs/dbraw/zinc/19/72/13/591197213.db2.gz GYKBFQSNLFVENX-NSHDSACASA-N 0 3 249.322 0.594 20 0 BCADHN CC[C@H](N)c1cn(Cc2nn(CC)nc2C)nn1 ZINC000881378002 591197766 /nfs/dbraw/zinc/19/77/66/591197766.db2.gz ATCNBZYGBYBVNQ-VIFPVBQESA-N 0 3 249.322 0.656 20 0 BCADHN Cc1conc1Cn1cc(CCN(C)C)nn1 ZINC000881390203 591199914 /nfs/dbraw/zinc/19/99/14/591199914.db2.gz MUKVWFJVGHWPAT-UHFFFAOYSA-N 0 3 235.291 0.727 20 0 BCADHN CC(C(=O)N1CC[C@@H](CF)C1)S(C)(=O)=O ZINC000881665512 591260502 /nfs/dbraw/zinc/26/05/02/591260502.db2.gz HVGGTJNVJJTRCB-YUMQZZPRSA-N 0 3 237.296 0.238 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CC[C@H](CF)C1 ZINC000881666727 591261750 /nfs/dbraw/zinc/26/17/50/591261750.db2.gz DJTSPKALHDPNRV-NXEZZACHSA-N 0 3 214.284 0.899 20 0 BCADHN C(Cc1nnn[n-]1)SCC[NH+]1CCCC1 ZINC000882188382 591313613 /nfs/dbraw/zinc/31/36/13/591313613.db2.gz SMSVMQKSCRIKBV-UHFFFAOYSA-N 0 3 227.337 0.571 20 0 BCADHN C(Cc1nn[n-]n1)SCC[NH+]1CCCC1 ZINC000882188382 591313616 /nfs/dbraw/zinc/31/36/16/591313616.db2.gz SMSVMQKSCRIKBV-UHFFFAOYSA-N 0 3 227.337 0.571 20 0 BCADHN Cc1ncnc(N[C@H](CO)CN(C)C)c1C ZINC000882370647 591339155 /nfs/dbraw/zinc/33/91/55/591339155.db2.gz ZEHYJEFDIPTVBR-JTQLQIEISA-N 0 3 224.308 0.428 20 0 BCADHN CCN1CC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC000882486934 591364459 /nfs/dbraw/zinc/36/44/59/591364459.db2.gz YPZKLKKCSPWHQJ-RYUDHWBXSA-N 0 3 241.379 0.783 20 0 BCADHN CCN1CC[C@H]1CNC(=O)CCc1c[nH]cn1 ZINC000882492782 591371302 /nfs/dbraw/zinc/37/13/02/591371302.db2.gz WEWLFVXAVXZSBP-NSHDSACASA-N 0 3 236.319 0.553 20 0 BCADHN CCN1CC[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC000882492782 591371306 /nfs/dbraw/zinc/37/13/06/591371306.db2.gz WEWLFVXAVXZSBP-NSHDSACASA-N 0 3 236.319 0.553 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)Cn1cncc1C ZINC000882495439 591377588 /nfs/dbraw/zinc/37/75/88/591377588.db2.gz IDRHHTJHYQOWPX-LLVKDONJSA-N 0 3 236.319 0.402 20 0 BCADHN CCN1CC[C@H]1CNC(=O)[C@@H](C)N(C)C ZINC000882496143 591378360 /nfs/dbraw/zinc/37/83/60/591378360.db2.gz PEBNNXYYJBTJBJ-ZJUUUORDSA-N 0 3 213.325 0.147 20 0 BCADHN C=C/C=C/CCNS(=O)(=O)CCCN(C)C ZINC000882586194 591394276 /nfs/dbraw/zinc/39/42/76/591394276.db2.gz GFHSGESLBRKUQV-AATRIKPKSA-N 0 3 246.376 0.990 20 0 BCADHN CC[C@@H]1CN(c2ncc(C=O)cn2)C[C@H](C)N1 ZINC000882664699 591408332 /nfs/dbraw/zinc/40/83/32/591408332.db2.gz GAPAFNBKYVSVRZ-GXSJLCMTSA-N 0 3 234.303 0.866 20 0 BCADHN CN1CC[C@@H]2CN(c3ncc(C=O)cn3)CC[C@H]21 ZINC000882700497 591413984 /nfs/dbraw/zinc/41/39/84/591413984.db2.gz UURFQZWIYHOQMC-VXGBXAGGSA-N 0 3 246.314 0.820 20 0 BCADHN Fc1cnc(NC[C@H]2CSCCN2)cn1 ZINC000882728633 591423674 /nfs/dbraw/zinc/42/36/74/591423674.db2.gz DFQFZBATXXJPDI-ZETCQYMHSA-N 0 3 228.296 0.733 20 0 BCADHN C[C@H](CO)NCc1ccc2oc(=O)oc2c1 ZINC000882915590 591474973 /nfs/dbraw/zinc/47/49/73/591474973.db2.gz UWEQPDXPLPJRJV-SSDOTTSWSA-N 0 3 223.228 0.856 20 0 BCADHN CCN1CC[C@H]1CNc1cc2nnc(C)n2cn1 ZINC000882960757 591484683 /nfs/dbraw/zinc/48/46/83/591484683.db2.gz UUVJKLYHEIPLEG-JTQLQIEISA-N 0 3 246.318 0.939 20 0 BCADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC000130850185 591530657 /nfs/dbraw/zinc/53/06/57/591530657.db2.gz JSSCYNCWVLQZKI-VHSXEESVSA-N 0 3 244.335 0.640 20 0 BCADHN C[C@](O)(CO)CNCc1cccc(Cl)c1N ZINC000883108958 591541236 /nfs/dbraw/zinc/54/12/36/591541236.db2.gz ZTTXZEAWCRFLKL-LLVKDONJSA-N 0 3 244.722 0.755 20 0 BCADHN CON(C)CCNCc1ccc(C)cn1 ZINC000883171580 591558346 /nfs/dbraw/zinc/55/83/46/591558346.db2.gz CJMBTFVNMKFLJY-UHFFFAOYSA-N 0 3 209.293 0.973 20 0 BCADHN CON(C)CCNCc1cccc2nccn21 ZINC000883171526 591560537 /nfs/dbraw/zinc/56/05/37/591560537.db2.gz ARFFZOIYIYULRQ-UHFFFAOYSA-N 0 3 234.303 0.917 20 0 BCADHN CON(C)CCNCc1cnc2c(cnn2C)c1 ZINC000883171139 591560913 /nfs/dbraw/zinc/56/09/13/591560913.db2.gz PHUGYPDKRQCPPF-UHFFFAOYSA-N 0 3 249.318 0.551 20 0 BCADHN CON(C)CCNCc1cnc(Cl)n1C ZINC000883170868 591561290 /nfs/dbraw/zinc/56/12/90/591561290.db2.gz GXZDUTJPHUBJJT-UHFFFAOYSA-N 0 3 232.715 0.656 20 0 BCADHN COCCn1cc(CNCCN(C)OC)cn1 ZINC000883171515 591561297 /nfs/dbraw/zinc/56/12/97/591561297.db2.gz AKYDRJGMEOCPPL-UHFFFAOYSA-N 0 3 242.323 0.112 20 0 BCADHN CON(C)CCNCc1ccc(C(N)=O)cc1 ZINC000883172725 591561972 /nfs/dbraw/zinc/56/19/72/591561972.db2.gz QPIWHYYDCSOSGI-UHFFFAOYSA-N 0 3 237.303 0.368 20 0 BCADHN CON(C)CCNCc1cccc(C(N)=O)c1 ZINC000883172838 591562376 /nfs/dbraw/zinc/56/23/76/591562376.db2.gz VDMAVXZOBPNPCE-UHFFFAOYSA-N 0 3 237.303 0.368 20 0 BCADHN CON(C)CCNCc1cnc2ccccn12 ZINC000883172914 591562704 /nfs/dbraw/zinc/56/27/04/591562704.db2.gz XPJVOLVONSUVJM-UHFFFAOYSA-N 0 3 234.303 0.917 20 0 BCADHN CON(C)CCNCc1cnc(N(C)C)s1 ZINC000883172958 591562804 /nfs/dbraw/zinc/56/28/04/591562804.db2.gz YPNKGNUWXGFFOE-UHFFFAOYSA-N 0 3 244.364 0.792 20 0 BCADHN C[C@@H](Cn1cncn1)NCCc1ccns1 ZINC000883246995 591588535 /nfs/dbraw/zinc/58/85/35/591588535.db2.gz XBCGAFXWKKAMJC-VIFPVBQESA-N 0 3 237.332 0.955 20 0 BCADHN Cn1nccc1CNC[C@H](CO)Cc1ccoc1 ZINC000883268067 591600794 /nfs/dbraw/zinc/60/07/94/591600794.db2.gz BIAKGMVOAMNNMH-GFCCVEGCSA-N 0 3 249.314 0.954 20 0 BCADHN Cn1cc(CNC[C@@H](CO)Cc2ccoc2)cn1 ZINC000883269017 591602325 /nfs/dbraw/zinc/60/23/25/591602325.db2.gz YDQWMIWWTNTRMF-LBPRGKRZSA-N 0 3 249.314 0.954 20 0 BCADHN Cn1cncc1CNC[C@H](CO)Cc1ccoc1 ZINC000883269168 591603552 /nfs/dbraw/zinc/60/35/52/591603552.db2.gz APMFVHODMHOHMX-GFCCVEGCSA-N 0 3 249.314 0.954 20 0 BCADHN COC(=O)/C(C)=C\CN(C)C[C@@H](C)O ZINC000214550766 591606574 /nfs/dbraw/zinc/60/65/74/591606574.db2.gz TVGLXNHSHMRHLV-BZJXQOFCSA-N 0 3 201.266 0.418 20 0 BCADHN CC(C)(C)N(CC[C@@H]1CCOC1=O)CC(N)=O ZINC000131421707 591607891 /nfs/dbraw/zinc/60/78/91/591607891.db2.gz VHSOSPLHOCGNNW-SECBINFHSA-N 0 3 242.319 0.525 20 0 BCADHN CCn1nncc1CN[C@H]1C[C@@H](COC)C1 ZINC000883315626 591612275 /nfs/dbraw/zinc/61/22/75/591612275.db2.gz SAHJNLKQZCKALQ-AOOOYVTPSA-N 0 3 224.308 0.813 20 0 BCADHN CCN1CC[C@H]1CNCc1n[nH]cc1C ZINC000883359803 591628627 /nfs/dbraw/zinc/62/86/27/591628627.db2.gz ODCOTSLMJNAUEG-JTQLQIEISA-N 0 3 208.309 0.902 20 0 BCADHN CCN1CC[C@H]1CNCc1c(C)nnn1CC ZINC000883358582 591628675 /nfs/dbraw/zinc/62/86/75/591628675.db2.gz NZFDTWWQMKXJKC-NSHDSACASA-N 0 3 237.351 0.790 20 0 BCADHN CCN1CC[C@@H]1CNCc1c(C)nnn1CC ZINC000883358581 591629004 /nfs/dbraw/zinc/62/90/04/591629004.db2.gz NZFDTWWQMKXJKC-LLVKDONJSA-N 0 3 237.351 0.790 20 0 BCADHN CC(C)NC(=O)CN(C)C[C@@H]1C[C@H](F)CN1 ZINC000883419633 591655446 /nfs/dbraw/zinc/65/54/46/591655446.db2.gz PXXYMLXKCRJQHS-UWVGGRQHSA-N 0 3 231.315 0.143 20 0 BCADHN COc1cccc([C@H]2CNCCN2CC(N)=O)c1 ZINC000883455818 591672188 /nfs/dbraw/zinc/67/21/88/591672188.db2.gz LMHXELOABAULFW-GFCCVEGCSA-N 0 3 249.314 0.127 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@H](CCO)C1CC1 ZINC000132280008 591697315 /nfs/dbraw/zinc/69/73/15/591697315.db2.gz WMJHDVLSDSPPPV-WCBMZHEXSA-N 0 3 235.349 0.170 20 0 BCADHN COC(CN1CCC(OCCO)CC1)OC ZINC000132363541 591705887 /nfs/dbraw/zinc/70/58/87/591705887.db2.gz QULVQLDBLXNVDG-UHFFFAOYSA-N 0 3 233.308 0.079 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)N[C@@H](C)CN(C)C ZINC000883698077 591722206 /nfs/dbraw/zinc/72/22/06/591722206.db2.gz XGEXRJBFIVQLOE-WDEREUQCSA-N 0 3 242.367 0.330 20 0 BCADHN C[C@H](CCO)NCC(=O)NC1CCCCC1 ZINC000132908254 591746512 /nfs/dbraw/zinc/74/65/12/591746512.db2.gz XFHAJDRSKQQJRU-SNVBAGLBSA-N 0 3 228.336 0.796 20 0 BCADHN C[C@@H](CCO)N[C@@H](C)C(=O)N1CCCC1 ZINC000132994479 591754814 /nfs/dbraw/zinc/75/48/14/591754814.db2.gz CMZBRXOLHXRUTE-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCN2 ZINC000884018714 591801710 /nfs/dbraw/zinc/80/17/10/591801710.db2.gz CBMFMUYYGMQVIJ-LLVKDONJSA-N 0 3 249.314 0.957 20 0 BCADHN CC(=O)NCCCN1CCCC2(C1)OCCO2 ZINC000133562129 591827921 /nfs/dbraw/zinc/82/79/21/591827921.db2.gz VAYYOUYXZFCSLE-UHFFFAOYSA-N 0 3 242.319 0.352 20 0 BCADHN CCn1nccc1NC(=O)[C@@H](N)CC1CC1 ZINC000884055799 591830403 /nfs/dbraw/zinc/83/04/03/591830403.db2.gz ZTFUGOLBXHUEPF-VIFPVBQESA-N 0 3 222.292 0.969 20 0 BCADHN O=C(OCCCN1CCCC1)C1CC(=O)C1 ZINC000800190460 591836764 /nfs/dbraw/zinc/83/67/64/591836764.db2.gz LPQKUSKKBLUTFB-UHFFFAOYSA-N 0 3 225.288 0.995 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000884115780 591854563 /nfs/dbraw/zinc/85/45/63/591854563.db2.gz CIVDGHKBAQJKBO-BBBLOLIVSA-N 0 3 214.309 0.607 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H]1CCC[C@H]1C ZINC000884127580 591857674 /nfs/dbraw/zinc/85/76/74/591857674.db2.gz HZJOGNRIWGXSLD-VGMNWLOBSA-N 0 3 200.282 0.265 20 0 BCADHN CCCCN(CCOC)C(=O)[C@H](N)CCOC ZINC000884132929 591858528 /nfs/dbraw/zinc/85/85/28/591858528.db2.gz FYLCQHQFCXFBIE-LLVKDONJSA-N 0 3 246.351 0.625 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1c(C)cccc1C ZINC000884133395 591858980 /nfs/dbraw/zinc/85/89/80/591858980.db2.gz XFCJJYPOWNGGNG-LBPRGKRZSA-N 0 3 236.315 0.893 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@H](N)CC1CC1 ZINC000884135924 591859389 /nfs/dbraw/zinc/85/93/89/591859389.db2.gz XJNCXXLYFJBRHH-GDPRMGEGSA-N 0 3 228.336 0.637 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000884145754 591862296 /nfs/dbraw/zinc/86/22/96/591862296.db2.gz RMKYXDSXZHFOTF-GUBZILKMSA-N 0 3 246.376 0.751 20 0 BCADHN CO[C@@H](CN)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000884143775 591862169 /nfs/dbraw/zinc/86/21/69/591862169.db2.gz QNFSPHVDWIWUSM-VWYCJHECSA-N 0 3 228.336 0.997 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCCOc1cccnc1 ZINC000884208073 591873349 /nfs/dbraw/zinc/87/33/49/591873349.db2.gz OWMYUZBDNUCBIT-LBPRGKRZSA-N 0 3 249.314 0.704 20 0 BCADHN COCCNCCNC(=O)C1(C2CC2)CC1 ZINC000884242082 591879006 /nfs/dbraw/zinc/87/90/06/591879006.db2.gz KSXYKAICUZIGOP-UHFFFAOYSA-N 0 3 226.320 0.529 20 0 BCADHN C[C@@H](C(=O)N1C[C@@H](C)NC[C@H]1C)c1cncnc1 ZINC000884245452 591881916 /nfs/dbraw/zinc/88/19/16/591881916.db2.gz WMUOADZFKOHBMP-GMTAPVOTSA-N 0 3 248.330 0.789 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1CCNC[C@@H]1C(F)F ZINC000884289939 591895126 /nfs/dbraw/zinc/89/51/26/591895126.db2.gz NLRPMRSKAADEFN-RKDXNWHRSA-N 0 3 247.289 0.179 20 0 BCADHN CNc1ccc(NC(=O)[C@@H](N)CCOC)cn1 ZINC000884295072 591895584 /nfs/dbraw/zinc/89/55/84/591895584.db2.gz PNOXXCGTAXYKER-VIFPVBQESA-N 0 3 238.291 0.426 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000884292774 591895517 /nfs/dbraw/zinc/89/55/17/591895517.db2.gz KWFZJEHWNXPOQM-XKNYDFJKSA-N 0 3 230.283 0.228 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000884298953 591897891 /nfs/dbraw/zinc/89/78/91/591897891.db2.gz ICLXMIUKNUNTJO-DJLDLDEBSA-N 0 3 248.273 0.525 20 0 BCADHN O=C(COC1CC1)N[C@@H]1CNCCC1(F)F ZINC000884298826 591898414 /nfs/dbraw/zinc/89/84/14/591898414.db2.gz DWFKDINGQFIIPZ-MRVPVSSYSA-N 0 3 234.246 0.279 20 0 BCADHN COC(=O)[C@H](C)N(C)C(=O)[C@H](N)CC1CC1 ZINC000884315255 591901858 /nfs/dbraw/zinc/90/18/58/591901858.db2.gz JXGDSLCHZFXTFW-IONNQARKSA-N 0 3 228.292 0.134 20 0 BCADHN CO[C@@H](CN)C(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000884312543 591901871 /nfs/dbraw/zinc/90/18/71/591901871.db2.gz IQHMXXWPWJJLES-BJDJZHNGSA-N 0 3 240.347 0.997 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000884321191 591903652 /nfs/dbraw/zinc/90/36/52/591903652.db2.gz IJAYUWAMOQYTNW-AXFHLTTASA-N 0 3 242.319 0.034 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)[C@@H](N)CC1CC1 ZINC000884333141 591905141 /nfs/dbraw/zinc/90/51/41/591905141.db2.gz FMLNLGCAKOMQLL-XKSSXDPKSA-N 0 3 214.309 0.653 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)C1(C2CC2)CC1 ZINC000884339726 591906337 /nfs/dbraw/zinc/90/63/37/591906337.db2.gz VKODAAADXGKIAQ-JTQLQIEISA-N 0 3 224.304 0.281 20 0 BCADHN CC(=O)c1cncc(C(=O)N(C)CCN)c1 ZINC000884342012 591907051 /nfs/dbraw/zinc/90/70/51/591907051.db2.gz NSGXCOMIHVCTLA-UHFFFAOYSA-N 0 3 221.260 0.315 20 0 BCADHN CCc1cc(NC(=O)[C@@H](N)CCOC)nn1C ZINC000884348324 591909523 /nfs/dbraw/zinc/90/95/23/591909523.db2.gz VESPSVGNFKJLKC-VIFPVBQESA-N 0 3 240.307 0.285 20 0 BCADHN COCC[C@H](N)C(=O)Nc1cc(F)ccc1O ZINC000884377556 591919681 /nfs/dbraw/zinc/91/96/81/591919681.db2.gz NTJQFSMPUSRDTA-QMMMGPOBSA-N 0 3 242.250 0.834 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1cc(F)ccc1O ZINC000884377555 591919738 /nfs/dbraw/zinc/91/97/38/591919738.db2.gz NTJQFSMPUSRDTA-MRVPVSSYSA-N 0 3 242.250 0.834 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H](C)COCC1CC1 ZINC000884387624 591922038 /nfs/dbraw/zinc/92/20/38/591922038.db2.gz ZEUADMPBXLAVES-ONGXEEELSA-N 0 3 244.335 0.282 20 0 BCADHN COCc1ccnc(NC(=O)[C@H](CN)OC)c1 ZINC000884389103 591922223 /nfs/dbraw/zinc/92/22/23/591922223.db2.gz OWDRJLDCIYZKCV-VIFPVBQESA-N 0 3 239.275 0.140 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)[C@@H](N)CC1CC1 ZINC000884394301 591923910 /nfs/dbraw/zinc/92/39/10/591923910.db2.gz AKAXWTTWGXQQSD-JTQLQIEISA-N 0 3 222.292 0.496 20 0 BCADHN C[C@@H](CNC(=O)N(C)CCCF)N(C)C ZINC000884395567 591924661 /nfs/dbraw/zinc/92/46/61/591924661.db2.gz FTRDPMKLJZMGTB-VIFPVBQESA-N 0 3 219.304 0.938 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)C[C@@H]1CC1(C)C ZINC000884420743 591929549 /nfs/dbraw/zinc/92/95/49/591929549.db2.gz CEIPBCZWXVJFFZ-IUCAKERBSA-N 0 3 214.309 0.465 20 0 BCADHN CO[C@@H](CN)C(=O)NCC[C@@]1(C)CC1(F)F ZINC000884407701 591926991 /nfs/dbraw/zinc/92/69/91/591926991.db2.gz KXJNAZMVHZOXOO-CBAPKCEASA-N 0 3 236.262 0.512 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000884406686 591927045 /nfs/dbraw/zinc/92/70/45/591927045.db2.gz CIMLOSLOABYVCH-BBBLOLIVSA-N 0 3 230.308 0.034 20 0 BCADHN Cc1cncc(CCNC(=O)[C@H](N)CC2CC2)n1 ZINC000884411770 591928204 /nfs/dbraw/zinc/92/82/04/591928204.db2.gz YBYIGZFWJHELRF-GFCCVEGCSA-N 0 3 248.330 0.571 20 0 BCADHN COC1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CCCC1 ZINC000884419438 591928645 /nfs/dbraw/zinc/92/86/45/591928645.db2.gz QKPYRXYFMGDJHC-NXEZZACHSA-N 0 3 244.310 0.843 20 0 BCADHN N[C@@H]1CN(C(=O)COC2CC2)CC[C@H]1F ZINC000884418612 591929286 /nfs/dbraw/zinc/92/92/86/591929286.db2.gz PFCLUCIKORVIGX-RKDXNWHRSA-N 0 3 216.256 0.063 20 0 BCADHN CCn1ncc(CNC(=O)[C@@H](N)CC2CC2)n1 ZINC000884427788 591930515 /nfs/dbraw/zinc/93/05/15/591930515.db2.gz JBAJJMZXJKWZKU-JTQLQIEISA-N 0 3 237.307 0.042 20 0 BCADHN CCn1ncc(CNC(=O)[C@H](N)CC2CC2)n1 ZINC000884427789 591930859 /nfs/dbraw/zinc/93/08/59/591930859.db2.gz JBAJJMZXJKWZKU-SNVBAGLBSA-N 0 3 237.307 0.042 20 0 BCADHN COCC[C@@H](N)C(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000884440135 591934179 /nfs/dbraw/zinc/93/41/79/591934179.db2.gz YYNFYOJBMGWMPT-LSCVPOLPSA-N 0 3 240.347 0.903 20 0 BCADHN COCC[C@H](N)C(=O)Nc1cncc(OC)c1 ZINC000884450561 591938813 /nfs/dbraw/zinc/93/88/13/591938813.db2.gz MTBOYTHBVZZPAG-JTQLQIEISA-N 0 3 239.275 0.393 20 0 BCADHN COCC[C@@H](N)C(=O)N1CCC(CCF)CC1 ZINC000884454018 591939802 /nfs/dbraw/zinc/93/98/02/591939802.db2.gz DWPJFUMQOKLERO-LLVKDONJSA-N 0 3 246.326 0.948 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@]12C[C@H]1CCCC2 ZINC000884461249 591941231 /nfs/dbraw/zinc/94/12/31/591941231.db2.gz ZIKJVITWXZJZPR-WCABBAIRSA-N 0 3 212.293 0.409 20 0 BCADHN CC1(C)C[C@H](O)CN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884472456 591944827 /nfs/dbraw/zinc/94/48/27/591944827.db2.gz ZUXQFFLPOHCIFW-QWRGUYRKSA-N 0 3 240.347 0.733 20 0 BCADHN Cn1nccc1CCNCc1cc[nH]n1 ZINC000135033657 591974035 /nfs/dbraw/zinc/97/40/35/591974035.db2.gz XNSFWLNPIFFGFH-UHFFFAOYSA-N 0 3 205.265 0.476 20 0 BCADHN CCN(CC)C(=O)CNC(=O)[C@@H](N)CC(C)C ZINC000135265643 592000069 /nfs/dbraw/zinc/00/00/69/592000069.db2.gz VOSSEEZDNFZKPL-JTQLQIEISA-N 0 3 243.351 0.344 20 0 BCADHN CCN(C/C=C(/C)C(=O)OC)CCCO ZINC000135355857 592009489 /nfs/dbraw/zinc/00/94/89/592009489.db2.gz INWRXVNUIGHMBM-POHAHGRESA-N 0 3 215.293 0.810 20 0 BCADHN COC(=O)/C(C)=C/CN1CCC[C@@](C)(O)C1 ZINC000135359534 592009523 /nfs/dbraw/zinc/00/95/23/592009523.db2.gz IOBKXADQVVYUOV-SBKJXLNCSA-N 0 3 227.304 0.953 20 0 BCADHN C[C@H](O)CCN(C)C(=O)c1cccc(CN)c1 ZINC000135511901 592015248 /nfs/dbraw/zinc/01/52/48/592015248.db2.gz KECCKJNJTCOPSE-JTQLQIEISA-N 0 3 236.315 0.988 20 0 BCADHN CN(CCO)CCNc1ccncc1Cl ZINC000884824992 592022424 /nfs/dbraw/zinc/02/24/24/592022424.db2.gz ZAGLWXFGXMCJQO-UHFFFAOYSA-N 0 3 229.711 0.493 20 0 BCADHN Cc1nc2[nH]ccc2c(NCCN(C)CCO)n1 ZINC000884824783 592022492 /nfs/dbraw/zinc/02/24/92/592022492.db2.gz NQVXQZWIPKJVEZ-UHFFFAOYSA-N 0 3 249.318 0.602 20 0 BCADHN CN(CCO)CCNc1cccc(F)n1 ZINC000884823902 592022686 /nfs/dbraw/zinc/02/26/86/592022686.db2.gz KDYVYUHDDGNOBZ-UHFFFAOYSA-N 0 3 213.256 0.557 20 0 BCADHN CCOc1nccnc1NCCN(C)CCO ZINC000884825333 592023420 /nfs/dbraw/zinc/02/34/20/592023420.db2.gz QKSUWCLEELBPIU-UHFFFAOYSA-N 0 3 240.307 0.211 20 0 BCADHN Cc1cncc(NCCN(C)CCO)n1 ZINC000884825115 592023921 /nfs/dbraw/zinc/02/39/21/592023921.db2.gz FYNKIRWJFPMPEW-UHFFFAOYSA-N 0 3 210.281 0.121 20 0 BCADHN CN(CCO)CCNc1ccc(F)cn1 ZINC000884825101 592023911 /nfs/dbraw/zinc/02/39/11/592023911.db2.gz DZPRULVGQYSJDJ-UHFFFAOYSA-N 0 3 213.256 0.557 20 0 BCADHN CCN1CCC(NC(=O)OCCOC)CC1 ZINC000884927098 592029791 /nfs/dbraw/zinc/02/97/91/592029791.db2.gz JNEKJNVBCGKWIT-UHFFFAOYSA-N 0 3 230.308 0.843 20 0 BCADHN CCN1CCCN(C(=O)OCCOC)CC1 ZINC000885001470 592033447 /nfs/dbraw/zinc/03/34/47/592033447.db2.gz DHVGCJNYADSANL-UHFFFAOYSA-N 0 3 230.308 0.797 20 0 BCADHN COCCOC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000885200988 592057205 /nfs/dbraw/zinc/05/72/05/592057205.db2.gz OBBMVJNMMCKHSG-VHSXEESVSA-N 0 3 228.292 0.405 20 0 BCADHN COCCOC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000885200986 592058114 /nfs/dbraw/zinc/05/81/14/592058114.db2.gz OBBMVJNMMCKHSG-NXEZZACHSA-N 0 3 228.292 0.405 20 0 BCADHN COC[C@@H](C)NC(=S)NC[C@H](C)N(C)C ZINC000135953400 592082403 /nfs/dbraw/zinc/08/24/03/592082403.db2.gz MSNYFHVTJIPSKH-BDAKNGLRSA-N 0 3 233.381 0.436 20 0 BCADHN CCCN(C)CC(=O)NCCO[C@H]1CCOC1 ZINC000885733932 592096420 /nfs/dbraw/zinc/09/64/20/592096420.db2.gz PQNPUWWWSBYROD-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN O=C(CCF)NC[C@H]1CCN1C1CCOCC1 ZINC000885890585 592106598 /nfs/dbraw/zinc/10/65/98/592106598.db2.gz GUVFESGYWIMDCN-LLVKDONJSA-N 0 3 244.310 0.716 20 0 BCADHN CCNC(=O)CN(C)C[C@H]1C[C@@]12CCOC2 ZINC000885960629 592112200 /nfs/dbraw/zinc/11/22/00/592112200.db2.gz NTLCLWFBFJQGLR-ZYHUDNBSSA-N 0 3 226.320 0.481 20 0 BCADHN C[C@](O)(CN1CCC[C@@H](CO)C1)C(F)F ZINC000885944849 592112727 /nfs/dbraw/zinc/11/27/27/592112727.db2.gz WENRXCMPDZUBJO-SCZZXKLOSA-N 0 3 223.263 0.707 20 0 BCADHN Cc1n[nH]c(CNCCn2cncn2)c1C ZINC000885946258 592112742 /nfs/dbraw/zinc/11/27/42/592112742.db2.gz GXELBNXVMIDCKL-UHFFFAOYSA-N 0 3 220.280 0.408 20 0 BCADHN Cc1[nH]nc(CNCCn2cncn2)c1C ZINC000885946258 592112744 /nfs/dbraw/zinc/11/27/44/592112744.db2.gz GXELBNXVMIDCKL-UHFFFAOYSA-N 0 3 220.280 0.408 20 0 BCADHN CC(C)NC(=O)CN(C)C[C@H]1C[C@@]12CCOC2 ZINC000885946937 592113336 /nfs/dbraw/zinc/11/33/36/592113336.db2.gz VOZHEBYIWBSBPO-DGCLKSJQSA-N 0 3 240.347 0.869 20 0 BCADHN Cc1n[nH]c(CN[C@@H](C)Cn2cncn2)c1C ZINC000885952137 592113537 /nfs/dbraw/zinc/11/35/37/592113537.db2.gz XLNDBJJJPFGHDF-QMMMGPOBSA-N 0 3 234.307 0.796 20 0 BCADHN Cc1[nH]nc(CN[C@@H](C)Cn2cncn2)c1C ZINC000885952137 592113540 /nfs/dbraw/zinc/11/35/40/592113540.db2.gz XLNDBJJJPFGHDF-QMMMGPOBSA-N 0 3 234.307 0.796 20 0 BCADHN Cc1[nH]nc(CN[C@H]2CCCNC2=O)c1C ZINC000885955858 592114393 /nfs/dbraw/zinc/11/43/93/592114393.db2.gz CNRCSAKAMVPYML-VIFPVBQESA-N 0 3 222.292 0.395 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@H]1C[C@]12CCOC2 ZINC000885965269 592116596 /nfs/dbraw/zinc/11/65/96/592116596.db2.gz KRIKKWUMDKKVOH-MDZLAQPJSA-N 0 3 238.331 0.623 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@H]1C[C@@]12CCOC2 ZINC000885965270 592117030 /nfs/dbraw/zinc/11/70/30/592117030.db2.gz KRIKKWUMDKKVOH-NTZNESFSSA-N 0 3 238.331 0.623 20 0 BCADHN Cc1n[nH]c(CNCC2(O)CCOCC2)c1C ZINC000885969349 592118908 /nfs/dbraw/zinc/11/89/08/592118908.db2.gz PJUMIIJONIHJHP-UHFFFAOYSA-N 0 3 239.319 0.658 20 0 BCADHN CCOC(=O)CCN(C)C[C@](C)(O)C(F)F ZINC000885980214 592119949 /nfs/dbraw/zinc/11/99/49/592119949.db2.gz WCYCSXXNUZIIOS-JTQLQIEISA-N 0 3 239.262 0.888 20 0 BCADHN COC[C@](C)(O)CNCc1[nH]nc(C)c1C ZINC000885979529 592120468 /nfs/dbraw/zinc/12/04/68/592120468.db2.gz FRRBKZDBVASWBS-LLVKDONJSA-N 0 3 227.308 0.514 20 0 BCADHN COC[C@](C)(O)CNCc1n[nH]c(C)c1C ZINC000885979529 592120469 /nfs/dbraw/zinc/12/04/69/592120469.db2.gz FRRBKZDBVASWBS-LLVKDONJSA-N 0 3 227.308 0.514 20 0 BCADHN Cc1n[nH]c(CNC[C@H](O)C2CC2)c1C ZINC000885983416 592121332 /nfs/dbraw/zinc/12/13/32/592121332.db2.gz FWYDBQUPGSSENF-NSHDSACASA-N 0 3 209.293 0.887 20 0 BCADHN C[C@@H]1COCCN(C[C@](C)(O)C(F)F)C1 ZINC000886087634 592145051 /nfs/dbraw/zinc/14/50/51/592145051.db2.gz XTCFITPEFKOUDE-WPRPVWTQSA-N 0 3 223.263 0.971 20 0 BCADHN C[C@H](O)CCN(C)C[C@](C)(O)C(F)F ZINC000886021638 592133907 /nfs/dbraw/zinc/13/39/07/592133907.db2.gz ZQHLGYGDHWJYGT-CBAPKCEASA-N 0 3 211.252 0.705 20 0 BCADHN CNC(=O)[C@H](C)CN(C)C[C@@](C)(O)C(F)F ZINC000886030300 592136694 /nfs/dbraw/zinc/13/66/94/592136694.db2.gz IXABRXPVFPHRPO-GMSGAONNSA-N 0 3 238.278 0.316 20 0 BCADHN C[C@](O)(CN1CC[C@@](C)(O)C1)C(F)F ZINC000886032640 592136953 /nfs/dbraw/zinc/13/69/53/592136953.db2.gz KOIAIHAGNIOHNJ-BDAKNGLRSA-N 0 3 209.236 0.459 20 0 BCADHN C[C@@H]1CO[C@H](CO)CN1C[C@H]1C[C@]12CCOC2 ZINC000886040680 592139073 /nfs/dbraw/zinc/13/90/73/592139073.db2.gz AKDCXXKAFVQHTC-NDBYEHHHSA-N 0 3 241.331 0.495 20 0 BCADHN Cc1[nH]nc(CNC[C@H](C)S(C)(=O)=O)c1C ZINC000886046631 592140520 /nfs/dbraw/zinc/14/05/20/592140520.db2.gz KVYQLKVVTZTMCX-ZETCQYMHSA-N 0 3 245.348 0.549 20 0 BCADHN C[C@@H]1CC(=O)NCCN1C[C@@H]1C[C@@]12CCOC2 ZINC000886091458 592146865 /nfs/dbraw/zinc/14/68/65/592146865.db2.gz AKTMPJVSYMZQPL-NTZNESFSSA-N 0 3 238.331 0.623 20 0 BCADHN OCC[C@@H]1COCCN1C[C@@H]1C[C@@]12CCOC2 ZINC000886093595 592147342 /nfs/dbraw/zinc/14/73/42/592147342.db2.gz DEGZWBHJERFZNF-YNEHKIRRSA-N 0 3 241.331 0.496 20 0 BCADHN OCC[C@@H]1COCCN1C[C@@H]1C[C@]12CCOC2 ZINC000886093594 592147615 /nfs/dbraw/zinc/14/76/15/592147615.db2.gz DEGZWBHJERFZNF-XQQFMLRXSA-N 0 3 241.331 0.496 20 0 BCADHN COC(CN1CCC[C@H]([C@@H](C)O)C1)OC ZINC000136800015 592150458 /nfs/dbraw/zinc/15/04/58/592150458.db2.gz MSPXKLBNJIYCRD-ZJUUUORDSA-N 0 3 217.309 0.698 20 0 BCADHN COC(CNC1(C(N)=O)CCCCC1)OC ZINC000136797289 592151605 /nfs/dbraw/zinc/15/16/05/592151605.db2.gz NQKLGEOXODIURK-UHFFFAOYSA-N 0 3 230.308 0.383 20 0 BCADHN NC(=O)C1(NC[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886118578 592157228 /nfs/dbraw/zinc/15/72/28/592157228.db2.gz KRWNUSJECXWUQT-UWVGGRQHSA-N 0 3 224.304 0.552 20 0 BCADHN Cc1n[nH]c(CNCC(C)(C)OCCO)c1C ZINC000886118981 592158138 /nfs/dbraw/zinc/15/81/38/592158138.db2.gz UVXCZNHSAGZTTM-UHFFFAOYSA-N 0 3 241.335 0.904 20 0 BCADHN CC[C@@H](NCc1n[nH]c(C)c1C)C(=O)NC ZINC000886138109 592161746 /nfs/dbraw/zinc/16/17/46/592161746.db2.gz BTQPIKYHJJNDFU-SECBINFHSA-N 0 3 224.308 0.641 20 0 BCADHN Cc1n[nH]c(CN[C@@H]2CC[C@H](C(N)=O)C2)c1C ZINC000886138518 592162042 /nfs/dbraw/zinc/16/20/42/592162042.db2.gz MFEZSCLAKGNIQM-VHSXEESVSA-N 0 3 236.319 0.770 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCc1n[nH]c(C)c1C ZINC000886142358 592162828 /nfs/dbraw/zinc/16/28/28/592162828.db2.gz AHKYIZKBQSRCIJ-WDEREUQCSA-N 0 3 225.292 0.530 20 0 BCADHN CC[C@@]1(O)CCN(C[C@](C)(O)C(F)F)C1 ZINC000886147278 592163403 /nfs/dbraw/zinc/16/34/03/592163403.db2.gz ODZHIGJAYPMXHS-VHSXEESVSA-N 0 3 223.263 0.849 20 0 BCADHN Cc1coc(CN[C@H]2C[C@H](C(N)=O)C2)c1 ZINC000886169705 592168657 /nfs/dbraw/zinc/16/86/57/592168657.db2.gz GKCXDLZAOHTEBD-KYZUINATSA-N 0 3 208.261 0.942 20 0 BCADHN CCCN(CC(N)=O)C[C@H]1C[C@]12CCOC2 ZINC000886215848 592177912 /nfs/dbraw/zinc/17/79/12/592177912.db2.gz SBWULJFTQQQZOS-PWSUYJOCSA-N 0 3 226.320 0.610 20 0 BCADHN C[C@@](O)(CN1CCC[C@H](O)CC1)C(F)F ZINC000886221124 592179751 /nfs/dbraw/zinc/17/97/51/592179751.db2.gz UDKIQKXKEKMOHX-WCBMZHEXSA-N 0 3 223.263 0.849 20 0 BCADHN OC[C@@H](C[C@@H]1CCCO1)NCc1cncnc1 ZINC000886229049 592180993 /nfs/dbraw/zinc/18/09/93/592180993.db2.gz KIEVGSMHJVSVLC-NEPJUHHUSA-N 0 3 237.303 0.496 20 0 BCADHN Oc1cccc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000886241303 592182066 /nfs/dbraw/zinc/18/20/66/592182066.db2.gz UOWIUVZOONBIKU-WLLOZRIZSA-N 0 3 223.272 0.366 20 0 BCADHN Cc1occc1CN[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886247222 592185560 /nfs/dbraw/zinc/18/55/60/592185560.db2.gz KRUMSVXSZNAGJS-RTCCRHLQSA-N 0 3 211.261 0.562 20 0 BCADHN Cc1nc(F)ccc1CN[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886247445 592185990 /nfs/dbraw/zinc/18/59/90/592185990.db2.gz RIZWBZZSGIWTSZ-RTCCRHLQSA-N 0 3 240.278 0.503 20 0 BCADHN C[C@](O)(CN1CC[C@@]2(O)C[C@H]2C1)C(F)F ZINC000886280280 592198147 /nfs/dbraw/zinc/19/81/47/592198147.db2.gz BGANXCFJEDHWAQ-UJNFCWOMSA-N 0 3 221.247 0.459 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886265935 592190784 /nfs/dbraw/zinc/19/07/84/592190784.db2.gz VMYQSHHIMLTYRP-QNWHQSFQSA-N 0 3 241.331 0.947 20 0 BCADHN Cc1cc(NCc2ncn(C)n2)nc(N)n1 ZINC000218887597 592191285 /nfs/dbraw/zinc/19/12/85/592191285.db2.gz APGYKCULTMIAFA-UHFFFAOYSA-N 0 3 219.252 0.108 20 0 BCADHN C[N@@H+]1CC[C@@H](CC(=O)NCc2cncc([O-])c2)C1 ZINC000886272910 592193676 /nfs/dbraw/zinc/19/36/76/592193676.db2.gz GVZGYPYGHOAJPD-JTQLQIEISA-N 0 3 249.314 0.745 20 0 BCADHN C[N@H+]1CC[C@@H](CC(=O)NCc2cncc([O-])c2)C1 ZINC000886272910 592193677 /nfs/dbraw/zinc/19/36/77/592193677.db2.gz GVZGYPYGHOAJPD-JTQLQIEISA-N 0 3 249.314 0.745 20 0 BCADHN NC(=O)[C@@H]1CCCN1C[C@H]1C[C@@]12CCOC2 ZINC000886298672 592202338 /nfs/dbraw/zinc/20/23/38/592202338.db2.gz GUHGHCYVRQODFM-JFGNBEQYSA-N 0 3 224.304 0.363 20 0 BCADHN Cc1cn[nH]c1CN(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000886300953 592202490 /nfs/dbraw/zinc/20/24/90/592202490.db2.gz SJGXWTBGTMFZPR-DTORHVGOSA-N 0 3 222.292 0.414 20 0 BCADHN Cn1cc(N2CC[C@H](N3C[C@@H]4C[C@@H]4C3)C2=O)cn1 ZINC000886333151 592210968 /nfs/dbraw/zinc/21/09/68/592210968.db2.gz DHUUHWYHBRBNJH-UMNHJUIQSA-N 0 3 246.314 0.477 20 0 BCADHN CCS(=O)(=O)NCCCN1C[C@@H]2C[C@@H]2C1 ZINC000886344914 592212915 /nfs/dbraw/zinc/21/29/15/592212915.db2.gz NZKSYTCNPUMMQU-AOOOYVTPSA-N 0 3 232.349 0.268 20 0 BCADHN C[C@@H]1CC[C@@H](NCc2cn(CC(N)=O)nn2)C1 ZINC000886351485 592215123 /nfs/dbraw/zinc/21/51/23/592215123.db2.gz HHCWZNJJUXPCGW-RKDXNWHRSA-N 0 3 237.307 0.042 20 0 BCADHN OC[C@@H]1CN(CC2CC2)CCN1CC1CC1 ZINC000886373422 592221363 /nfs/dbraw/zinc/22/13/63/592221363.db2.gz SLVUUMYAZBTWPI-ZDUSSCGKSA-N 0 3 224.348 0.785 20 0 BCADHN CCCN1CCN(CCC)[C@H](CO)C1 ZINC000886374484 592221395 /nfs/dbraw/zinc/22/13/95/592221395.db2.gz CQILYVWUFNJRGK-NSHDSACASA-N 0 3 200.326 0.785 20 0 BCADHN COC(=O)c1cncc([C@H](C)NC[C@H](C)O)c1 ZINC000886487677 592235027 /nfs/dbraw/zinc/23/50/27/592235027.db2.gz NWVRGCDKBAEGBR-IUCAKERBSA-N 0 3 238.287 0.900 20 0 BCADHN COC(=O)c1cncc([C@@H](C)N[C@@H](C)CO)c1 ZINC000886534113 592249511 /nfs/dbraw/zinc/24/95/11/592249511.db2.gz BAFFJJZBZPGTLJ-DTWKUNHWSA-N 0 3 238.287 0.900 20 0 BCADHN CNC(=O)CN1C[C@@H]2CSC[C@@H]2C1 ZINC000886556969 592260326 /nfs/dbraw/zinc/26/03/26/592260326.db2.gz NXZMNNNCYKIKDX-OCAPTIKFSA-N 0 3 200.307 0.027 20 0 BCADHN O[C@@H](CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)c1ccccn1 ZINC000886571665 592263789 /nfs/dbraw/zinc/26/37/89/592263789.db2.gz DCMMWMBEONTULP-XCCSTKFXSA-N 0 3 248.326 0.818 20 0 BCADHN O[C@@H]1CC[C@@H]2CN(CCOC(F)F)C[C@H]12 ZINC000886571956 592264787 /nfs/dbraw/zinc/26/47/87/592264787.db2.gz PXJAXRAPRWIJGV-HRDYMLBCSA-N 0 3 221.247 0.928 20 0 BCADHN O[C@@H]1CC[C@@H]2CN(Cc3c[nH]nn3)C[C@H]12 ZINC000886574155 592266594 /nfs/dbraw/zinc/26/65/94/592266594.db2.gz QJJJWRPJFDZPAE-FKTZTGRPSA-N 0 3 208.265 0.007 20 0 BCADHN CC(C)C[C@H]1CN(C)CCN1C(=O)CN(C)C ZINC000886593571 592270052 /nfs/dbraw/zinc/27/00/52/592270052.db2.gz UOLKMTDLKKGASR-LBPRGKRZSA-N 0 3 241.379 0.737 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886594307 592270900 /nfs/dbraw/zinc/27/09/00/592270900.db2.gz JQFKSXIEHDPXBT-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN CCN(CCO)CCN[C@@H]1CCc2cccnc21 ZINC000886592310 592270824 /nfs/dbraw/zinc/27/08/24/592270824.db2.gz PZCSCCKQNJOEMR-CYBMUJFWSA-N 0 3 249.358 0.973 20 0 BCADHN CCN(CCO)CCN[C@H]1CCc2cccnc21 ZINC000886592311 592271289 /nfs/dbraw/zinc/27/12/89/592271289.db2.gz PZCSCCKQNJOEMR-ZDUSSCGKSA-N 0 3 249.358 0.973 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CC[C@H](C(=O)OC)C1 ZINC000886594306 592271310 /nfs/dbraw/zinc/27/13/10/592271310.db2.gz JQFKSXIEHDPXBT-UWVGGRQHSA-N 0 3 242.319 0.396 20 0 BCADHN C[S@@](=O)CCN1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886632640 592279098 /nfs/dbraw/zinc/27/90/98/592279098.db2.gz ADQPABHGABLEDH-UEKVPHQBSA-N 0 3 231.361 0.602 20 0 BCADHN CON(C)C(=O)CN1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886631281 592283099 /nfs/dbraw/zinc/28/30/99/592283099.db2.gz IZIGZGUXIORQBK-ZYHUDNBSSA-N 0 3 242.319 0.243 20 0 BCADHN NC(=O)[C@H]1C[C@H](N[C@@H]2CCc3cccnc32)C1 ZINC000886641489 592287800 /nfs/dbraw/zinc/28/78/00/592287800.db2.gz KVKNXEHTHRGCSO-GMTAPVOTSA-N 0 3 231.299 0.922 20 0 BCADHN C[C@H](CC1CC1)NCc1nnc2c(=O)[nH]ccn12 ZINC000886702930 592306779 /nfs/dbraw/zinc/30/67/79/592306779.db2.gz HQYZRJNHOFEKSE-MRVPVSSYSA-N 0 3 247.302 0.696 20 0 BCADHN CC(C)[C@H](C)NCc1nnc2c(=O)[nH]ccn12 ZINC000886702739 592307060 /nfs/dbraw/zinc/30/70/60/592307060.db2.gz BSXHGGWCGUOGQJ-QMMMGPOBSA-N 0 3 235.291 0.552 20 0 BCADHN C[C@@H](CC1CC1)NCc1nnc2c(=O)[nH]ccn12 ZINC000886702931 592307143 /nfs/dbraw/zinc/30/71/43/592307143.db2.gz HQYZRJNHOFEKSE-QMMMGPOBSA-N 0 3 247.302 0.696 20 0 BCADHN CCS(=O)(=O)CCNCC[C@H]1CCOC1 ZINC000220674534 592321350 /nfs/dbraw/zinc/32/13/50/592321350.db2.gz GJBGQGZSWKTQKS-JTQLQIEISA-N 0 3 235.349 0.437 20 0 BCADHN OCCCN1CC[C@](CO)(C(F)(F)F)C1 ZINC000886795221 592327041 /nfs/dbraw/zinc/32/70/41/592327041.db2.gz ODLRVSRMMCOUSA-QMMMGPOBSA-N 0 3 227.226 0.616 20 0 BCADHN CN(C)C(=O)CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886816309 592337423 /nfs/dbraw/zinc/33/74/23/592337423.db2.gz REEBJLGYMGBNAS-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN CON(C)C(=O)CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886821736 592346004 /nfs/dbraw/zinc/34/60/04/592346004.db2.gz GRIOMMUWHVHIBK-MNOVXSKESA-N 0 3 242.319 0.507 20 0 BCADHN CN1CC[C@H](N2CC[C@H]([C@H]3CCCO3)C2)C1=O ZINC000886832703 592355173 /nfs/dbraw/zinc/35/51/73/592355173.db2.gz LPRRPZIXCDOSQT-SDDRHHMPSA-N 0 3 238.331 0.718 20 0 BCADHN O=C(CN1CC[C@@H]([C@@H]2CCCO2)C1)N1CCC1 ZINC000886834982 592355871 /nfs/dbraw/zinc/35/58/71/592355871.db2.gz GKIQUTAPGBWKAJ-NEPJUHHUSA-N 0 3 238.331 0.720 20 0 BCADHN CC[C@@H](CN1CC[C@H](NC(=O)OC)C1)OC ZINC000886850829 592367314 /nfs/dbraw/zinc/36/73/14/592367314.db2.gz UPCKPFOAWGIFIG-UWVGGRQHSA-N 0 3 230.308 0.842 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@@H]2CC[C@@H](C)O2)C1 ZINC000886854684 592368103 /nfs/dbraw/zinc/36/81/03/592368103.db2.gz XVZBENRMPQPDNN-VWYCJHECSA-N 0 3 242.319 0.984 20 0 BCADHN COC(=O)N[C@H]1CCN([C@@H]2CC[C@@H](OC)C2)C1 ZINC000886852428 592368141 /nfs/dbraw/zinc/36/81/41/592368141.db2.gz JPPSHZZBPCBWDQ-HBNTYKKESA-N 0 3 242.319 0.984 20 0 BCADHN COC(=O)N[C@H]1CCN(CCCF)C1 ZINC000886860044 592371340 /nfs/dbraw/zinc/37/13/40/592371340.db2.gz OWXGRLGCCAANFR-QMMMGPOBSA-N 0 3 204.245 0.776 20 0 BCADHN CCN(CC)CC(=O)N1CCOC[C@H]1COC ZINC000886871216 592375917 /nfs/dbraw/zinc/37/59/17/592375917.db2.gz PBLNBXVZJHRCFM-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN COC[C@H]1COCCN1C(=O)CN(C)C(C)C ZINC000886873668 592376482 /nfs/dbraw/zinc/37/64/82/592376482.db2.gz UXKJFZCAOTWMBZ-NSHDSACASA-N 0 3 244.335 0.200 20 0 BCADHN COC1CC(NCCS(=O)(=O)C(C)(C)C)C1 ZINC000221117439 592396768 /nfs/dbraw/zinc/39/67/68/592396768.db2.gz FSYJRVJDTKHIJT-UHFFFAOYSA-N 0 3 249.376 0.967 20 0 BCADHN CCOCC[C@@H](O)CN[C@H](C(N)=O)[C@@H](C)CC ZINC000887057558 592434549 /nfs/dbraw/zinc/43/45/49/592434549.db2.gz LNZOLUOXEBZHHE-AXFHLTTASA-N 0 3 246.351 0.264 20 0 BCADHN CCC[C@@H](O)CNC1(C(=O)NC)CCOCC1 ZINC000887091276 592438648 /nfs/dbraw/zinc/43/86/48/592438648.db2.gz GIZXBECECICINW-SNVBAGLBSA-N 0 3 244.335 0.032 20 0 BCADHN C[C@@H]1CN(c2ccncc2)CCN1CCCO ZINC000887131080 592449178 /nfs/dbraw/zinc/44/91/78/592449178.db2.gz QQEJNOZRRQJHBX-GFCCVEGCSA-N 0 3 235.331 0.975 20 0 BCADHN CN(CCCF)C[C@H](O)CC(C)(C)O ZINC000887144014 592461221 /nfs/dbraw/zinc/46/12/21/592461221.db2.gz XSCACHRROPZHGU-SECBINFHSA-N 0 3 207.289 0.800 20 0 BCADHN C[C@@H]1CN(c2ccncc2)CCN1C(N)=O ZINC000887346227 592483903 /nfs/dbraw/zinc/48/39/03/592483903.db2.gz VLVWVWWJFVITAP-SECBINFHSA-N 0 3 220.276 0.671 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1CCOC[C@@H]1C ZINC000300911810 592524626 /nfs/dbraw/zinc/52/46/26/592524626.db2.gz YBBRAPWZWPXBGG-VHSXEESVSA-N 0 3 235.349 0.436 20 0 BCADHN CC(C)CN(CC(N)=O)C(=O)[C@@H](N)CC1CC1 ZINC000302625990 592550018 /nfs/dbraw/zinc/55/00/18/592550018.db2.gz BYNYCWSILBESMU-JTQLQIEISA-N 0 3 241.335 0.084 20 0 BCADHN CC1(C)OC[C@@H](CN2CCC[C@H](O)C2)O1 ZINC000224069413 592550200 /nfs/dbraw/zinc/55/02/00/592550200.db2.gz CGVDUZHTZBPOPV-VHSXEESVSA-N 0 3 215.293 0.595 20 0 BCADHN CN(CC1CCOCC1)C(=O)[C@@H](N)CC1CC1 ZINC000302623202 592550480 /nfs/dbraw/zinc/55/04/80/592550480.db2.gz BGWWFQBRVROHDS-LBPRGKRZSA-N 0 3 240.347 0.999 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000302692020 592552189 /nfs/dbraw/zinc/55/21/89/592552189.db2.gz SUNUMUCTTDTFTE-PWSUYJOCSA-N 0 3 237.347 0.467 20 0 BCADHN CN1C[C@@H]2CN(C(=O)c3cnco3)C[C@]2(C)C1 ZINC000887930646 592559434 /nfs/dbraw/zinc/55/94/34/592559434.db2.gz QVMWIJRQVCBRMA-SKDRFNHKSA-N 0 3 235.287 0.698 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H]1C(=O)OC)N(C)C ZINC000888061073 592571084 /nfs/dbraw/zinc/57/10/84/592571084.db2.gz XVLDRCYQBCBGOJ-DTWKUNHWSA-N 0 3 228.292 0.101 20 0 BCADHN CN1CCC2(CCN2C(=O)C2(C)COC2)CC1 ZINC000889223230 592590269 /nfs/dbraw/zinc/59/02/69/592590269.db2.gz RIFWXXJNUIESMQ-UHFFFAOYSA-N 0 3 238.331 0.720 20 0 BCADHN CO[C@H]1CC[C@@H]1N(C)C(=O)C12CCN(CC1)C2 ZINC000889321421 592596469 /nfs/dbraw/zinc/59/64/69/592596469.db2.gz JXIYSFMNUHLIRQ-QWRGUYRKSA-N 0 3 238.331 0.718 20 0 BCADHN Cc1nc(CNC(=O)[C@@H]2CCCCN2C)n[nH]1 ZINC000889705892 592649593 /nfs/dbraw/zinc/64/95/93/592649593.db2.gz NEKUTHOPYCKFNS-VIFPVBQESA-N 0 3 237.307 0.214 20 0 BCADHN CCN(CC)CC(=O)NCc1nnc(C)[nH]1 ZINC000889705319 592649602 /nfs/dbraw/zinc/64/96/02/592649602.db2.gz BVPVUBZSVBFZJG-UHFFFAOYSA-N 0 3 225.296 0.071 20 0 BCADHN CCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889782672 592653989 /nfs/dbraw/zinc/65/39/89/592653989.db2.gz UPVLLGYHOUVYHL-WDEREUQCSA-N 0 3 226.320 0.454 20 0 BCADHN CN(C)C1(C(=O)NCc2cn(C)cn2)CCC1 ZINC000890106959 592681268 /nfs/dbraw/zinc/68/12/68/592681268.db2.gz FKIIYBUASLRDQO-UHFFFAOYSA-N 0 3 236.319 0.521 20 0 BCADHN C[C@H](N)c1cn(CCO[C@H]2CCCCO2)nn1 ZINC000124321000 592717771 /nfs/dbraw/zinc/71/77/71/592717771.db2.gz DXWWPVLWHBXIQG-ONGXEEELSA-N 0 3 240.307 0.841 20 0 BCADHN COc1cccc(Cn2cc([C@H](C)N)nn2)n1 ZINC000124295609 592717778 /nfs/dbraw/zinc/71/77/78/592717778.db2.gz UXMHRAHIURDUNZ-QMMMGPOBSA-N 0 3 233.275 0.750 20 0 BCADHN C[N@H+](CCCN1CCCC1)CCC(=O)[O-] ZINC000049333889 597458384 /nfs/dbraw/zinc/45/83/84/597458384.db2.gz DTTOJHUTLRYTFQ-UHFFFAOYSA-N 0 3 214.309 0.879 20 0 BCADHN C[N@@H+](CCCN1CCCC1)CCC(=O)[O-] ZINC000049333889 597458386 /nfs/dbraw/zinc/45/83/86/597458386.db2.gz DTTOJHUTLRYTFQ-UHFFFAOYSA-N 0 3 214.309 0.879 20 0 BCADHN C[C@@H](CC(=O)[O-])[NH2+]CCCN1CCCC1 ZINC000049477907 598213383 /nfs/dbraw/zinc/21/33/83/598213383.db2.gz HNOVBPNAUAFTNP-JTQLQIEISA-N 0 3 214.309 0.925 20 0 BCADHN O[C@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000095220623 598815286 /nfs/dbraw/zinc/81/52/86/598815286.db2.gz WGFAOMLKMUVOHI-NSHDSACASA-N 0 3 245.286 0.433 20 0 BCADHN O[C@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000095220623 598815287 /nfs/dbraw/zinc/81/52/87/598815287.db2.gz WGFAOMLKMUVOHI-NSHDSACASA-N 0 3 245.286 0.433 20 0 BCADHN O[C@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000095220623 598815289 /nfs/dbraw/zinc/81/52/89/598815289.db2.gz WGFAOMLKMUVOHI-NSHDSACASA-N 0 3 245.286 0.433 20 0 BCADHN O[C@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000095220623 598815290 /nfs/dbraw/zinc/81/52/90/598815290.db2.gz WGFAOMLKMUVOHI-NSHDSACASA-N 0 3 245.286 0.433 20 0 BCADHN c1nn(CC[NH+]2CCCCC2)cc1-c1nnn[n-]1 ZINC000738449636 599364501 /nfs/dbraw/zinc/36/45/01/599364501.db2.gz LNBIMLXRQGSLFP-UHFFFAOYSA-N 0 3 247.306 0.549 20 0 BCADHN c1nn(CC[NH+]2CCCCC2)cc1-c1nn[n-]n1 ZINC000738449636 599364504 /nfs/dbraw/zinc/36/45/04/599364504.db2.gz LNBIMLXRQGSLFP-UHFFFAOYSA-N 0 3 247.306 0.549 20 0 BCADHN COC[C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C ZINC000034937677 636176215 /nfs/dbraw/zinc/17/62/15/636176215.db2.gz XIBGFDMFAMCZLE-BDAKNGLRSA-N 0 3 216.325 0.914 20 0 BCADHN O=C([O-])CCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000257746988 600574357 /nfs/dbraw/zinc/57/43/57/600574357.db2.gz FOIVWQZSUVOFJY-NSHDSACASA-N 0 3 226.320 0.879 20 0 BCADHN C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)[O-])C1 ZINC000381133395 601046240 /nfs/dbraw/zinc/04/62/40/601046240.db2.gz LFLCQHLZAGTGEC-NSHDSACASA-N 0 3 226.320 0.735 20 0 BCADHN C[N@@H+](CC1CC1)C[C@@H]1CCN(CC(=O)[O-])C1 ZINC000381133395 601046245 /nfs/dbraw/zinc/04/62/45/601046245.db2.gz LFLCQHLZAGTGEC-NSHDSACASA-N 0 3 226.320 0.735 20 0 BCADHN COCC[N@H+](C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000095294529 607488280 /nfs/dbraw/zinc/48/82/80/607488280.db2.gz QEEHXGAUSWOLDZ-UHFFFAOYSA-N 0 3 248.290 0.340 20 0 BCADHN COCC[N@@H+](C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000095294529 607488281 /nfs/dbraw/zinc/48/82/81/607488281.db2.gz QEEHXGAUSWOLDZ-UHFFFAOYSA-N 0 3 248.290 0.340 20 0 BCADHN CN1CCC[C@H]2C[N@H+](CCC(=O)[O-])CC[C@@H]21 ZINC000088091272 604361676 /nfs/dbraw/zinc/36/16/76/604361676.db2.gz NLZNRMGXTCSDIJ-QWRGUYRKSA-N 0 3 226.320 0.877 20 0 BCADHN CN1CCC[C@H]2C[N@@H+](CCC(=O)[O-])CC[C@@H]21 ZINC000088091272 604361680 /nfs/dbraw/zinc/36/16/80/604361680.db2.gz NLZNRMGXTCSDIJ-QWRGUYRKSA-N 0 3 226.320 0.877 20 0 BCADHN C[C@H](C(=O)[O-])[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000251531249 604363142 /nfs/dbraw/zinc/36/31/42/604363142.db2.gz FKFZDMOMIFDCPH-VWYCJHECSA-N 0 3 226.320 0.876 20 0 BCADHN C[C@H](C(=O)[O-])[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000251531249 604363138 /nfs/dbraw/zinc/36/31/38/604363138.db2.gz FKFZDMOMIFDCPH-VWYCJHECSA-N 0 3 226.320 0.876 20 0 BCADHN CC[C@H](CO)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000095162797 606636781 /nfs/dbraw/zinc/63/67/81/606636781.db2.gz NVZSJMZIGVMEPQ-LLVKDONJSA-N 0 3 247.302 0.727 20 0 BCADHN CC[C@H](CO)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000095162797 606636782 /nfs/dbraw/zinc/63/67/82/606636782.db2.gz NVZSJMZIGVMEPQ-LLVKDONJSA-N 0 3 247.302 0.727 20 0 BCADHN CC[C@H](CO)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC000095285103 606636964 /nfs/dbraw/zinc/63/69/64/606636964.db2.gz ADTBGVRODPRUBM-SNVBAGLBSA-N 0 3 247.302 0.727 20 0 BCADHN CC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC000095285103 606636965 /nfs/dbraw/zinc/63/69/65/606636965.db2.gz ADTBGVRODPRUBM-SNVBAGLBSA-N 0 3 247.302 0.727 20 0 BCADHN CC[N@H+](CCO)Cc1ccccc1-c1nnn[n-]1 ZINC000095176955 606639845 /nfs/dbraw/zinc/63/98/45/606639845.db2.gz JGEFANAAYXEVKC-UHFFFAOYSA-N 0 3 247.302 0.681 20 0 BCADHN CC[N@@H+](CCO)Cc1ccccc1-c1nnn[n-]1 ZINC000095176955 606639846 /nfs/dbraw/zinc/63/98/46/606639846.db2.gz JGEFANAAYXEVKC-UHFFFAOYSA-N 0 3 247.302 0.681 20 0 BCADHN CC[N@H+](CCO)Cc1ccccc1-c1nn[n-]n1 ZINC000095176955 606639847 /nfs/dbraw/zinc/63/98/47/606639847.db2.gz JGEFANAAYXEVKC-UHFFFAOYSA-N 0 3 247.302 0.681 20 0 BCADHN CC[N@@H+](CCO)Cc1ccccc1-c1nn[n-]n1 ZINC000095176955 606639848 /nfs/dbraw/zinc/63/98/48/606639848.db2.gz JGEFANAAYXEVKC-UHFFFAOYSA-N 0 3 247.302 0.681 20 0 BCADHN CCOC1CC(CN2CCN(C)[C@@H](CO)C2)C1 ZINC000931399467 634390233 /nfs/dbraw/zinc/39/02/33/634390233.db2.gz QYGUYEXSXRGRSF-OTTFEQOBSA-N 0 3 242.363 0.410 20 0 BCADHN C[C@@H]1CN(c2ccncc2CO)C[C@H](CO)O1 ZINC000299969962 634404862 /nfs/dbraw/zinc/40/48/62/634404862.db2.gz SZIOEKNRNXIKES-MWLCHTKSSA-N 0 3 238.287 0.160 20 0 BCADHN CC1(C)COC[C@@H]1NCC(=O)NC1CC1 ZINC000312972533 634427909 /nfs/dbraw/zinc/42/79/09/634427909.db2.gz KAWVRUZAJMYDKL-VIFPVBQESA-N 0 3 212.293 0.280 20 0 BCADHN COC(CN[C@@H]1COCC1(C)C)OC ZINC000312979687 634428083 /nfs/dbraw/zinc/42/80/83/634428083.db2.gz PGDYGOHEFWFVKY-MRVPVSSYSA-N 0 3 203.282 0.620 20 0 BCADHN O[C@@H](CN[C@@H]1COC[C@H]1O)c1ccccc1 ZINC000313568057 634490465 /nfs/dbraw/zinc/49/04/65/634490465.db2.gz RZEHZHZYRYYFDQ-GRYCIOLGSA-N 0 3 223.272 0.069 20 0 BCADHN CO[C@H](C)CN1CCN(CCCCCO)CC1 ZINC000931496626 634518927 /nfs/dbraw/zinc/51/89/27/634518927.db2.gz VACLBRWBKSJSDD-CYBMUJFWSA-N 0 3 244.379 0.802 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCSC2)C1 ZINC000644818429 634548079 /nfs/dbraw/zinc/54/80/79/634548079.db2.gz MEOOMLDHTOHMNG-DCAQKATOSA-N 0 3 240.372 0.902 20 0 BCADHN CC(=O)NC[C@@H]1[C@H]2CN(Cc3cnn(C)c3)C[C@H]21 ZINC000977673000 634556296 /nfs/dbraw/zinc/55/62/96/634556296.db2.gz CHTSMUWAJFUKOI-XYYAHUGASA-N 0 3 248.330 0.234 20 0 BCADHN CC[C@H](C)C(=O)N1CCCN(C[C@H](C)O)CC1 ZINC000980727715 635266158 /nfs/dbraw/zinc/26/61/58/635266158.db2.gz RMTSLTDOIXPVEG-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CC[NH2+]CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095304751 635445160 /nfs/dbraw/zinc/44/51/60/635445160.db2.gz UOXIVLAMHADYIX-UHFFFAOYSA-N 0 3 246.274 0.415 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001028191335 635458020 /nfs/dbraw/zinc/45/80/20/635458020.db2.gz PVJOVBXMVRVZNV-JTQLQIEISA-N 0 3 236.319 0.932 20 0 BCADHN COC[C@H](CC(C)C)N[C@@H]1CNOC1 ZINC000925863408 635562706 /nfs/dbraw/zinc/56/27/06/635562706.db2.gz LJAJTTHQIALPRH-VHSXEESVSA-N 0 3 202.298 0.541 20 0 BCADHN C[C@H](CC(=O)Nc1ccccc1)N[C@@H]1CNOC1 ZINC000925865738 635565115 /nfs/dbraw/zinc/56/51/15/635565115.db2.gz RVFAOEIPGIIWBI-ZYHUDNBSSA-N 0 3 249.314 0.897 20 0 BCADHN COC(=O)[C@@H]1CN(Cc2ccc(N)nc2)C[C@H]1C ZINC000251811653 635619019 /nfs/dbraw/zinc/61/90/19/635619019.db2.gz OMUNGSUHRNJGAT-MWLCHTKSSA-N 0 3 249.314 0.905 20 0 BCADHN COCCOCCCNc1cc(C)nc(N)n1 ZINC000073860610 631217720 /nfs/dbraw/zinc/21/77/20/631217720.db2.gz ZWJCODOTBZBTPE-UHFFFAOYSA-N 0 3 240.307 0.832 20 0 BCADHN COC[C@@H]1COCCN1C[C@H]1CCO[C@@H]1C ZINC000933327157 631259020 /nfs/dbraw/zinc/25/90/20/631259020.db2.gz KVISYNYVHDCIJK-IJLUTSLNSA-N 0 3 229.320 0.759 20 0 BCADHN CSCCN1CCCN(C=O)CC1 ZINC000308296278 631272669 /nfs/dbraw/zinc/27/26/69/631272669.db2.gz IIHDPMAOHYMNGR-UHFFFAOYSA-N 0 3 202.323 0.514 20 0 BCADHN C[C@@H](CO)NCc1cc(Br)nn1C ZINC000308354978 631295061 /nfs/dbraw/zinc/29/50/61/631295061.db2.gz 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631547446 /nfs/dbraw/zinc/54/74/46/631547446.db2.gz DFAQEAXCEDHWBD-ZJUUUORDSA-N 0 3 247.360 0.548 20 0 BCADHN C[C@H](N[C@@H]1CO[C@@H](C)C1)C(=O)N(C)C ZINC000647206425 635642156 /nfs/dbraw/zinc/64/21/56/635642156.db2.gz RQQQJXVAJVKBCN-CIUDSAMLSA-N 0 3 200.282 0.230 20 0 BCADHN CC(C)CC[C@@H](O)CN1CC[C@H]1CO ZINC000934014067 631594739 /nfs/dbraw/zinc/59/47/39/631594739.db2.gz KEJLOCQRSASJCD-WDEREUQCSA-N 0 3 201.310 0.850 20 0 BCADHN CO[N-]C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000178651300 635646324 /nfs/dbraw/zinc/64/63/24/635646324.db2.gz WQLVSNBOKXRCBZ-RKDXNWHRSA-N 0 3 200.282 0.962 20 0 BCADHN CC(C)C[C@H](O)CN[C@H](C)c1cnnn1C ZINC000924862190 635647413 /nfs/dbraw/zinc/64/74/13/635647413.db2.gz PKLHBTPZRQPJFV-ZJUUUORDSA-N 0 3 226.324 0.873 20 0 BCADHN CN(C)CC(=O)NCc1cc(N(C)C)ccn1 ZINC000927702590 635688734 /nfs/dbraw/zinc/68/87/34/635688734.db2.gz VJZZQDDZRPXZTP-UHFFFAOYSA-N 0 3 236.319 0.325 20 0 BCADHN OC[C@H]1CCN1C[C@H](O)c1ccccc1 ZINC000934020051 631622128 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/nfs/dbraw/zinc/67/34/31/635673431.db2.gz WEXQKUYGLCYUHK-SNVBAGLBSA-N 0 3 226.320 0.753 20 0 BCADHN CO[C@@H]1CCOC[C@H]1NC[C@](C)(O)C(F)F ZINC000934034717 631635333 /nfs/dbraw/zinc/63/53/33/631635333.db2.gz GECZPXLDZSEIKS-MRTMQBJTSA-N 0 3 239.262 0.396 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1ccc(F)nc1 ZINC000234671164 631658312 /nfs/dbraw/zinc/65/83/12/631658312.db2.gz OXWJFCBDYAMFRQ-MRVPVSSYSA-N 0 3 227.239 0.523 20 0 BCADHN COCC[C@@H](N)C(=O)NC1Cc2ccccc2C1 ZINC000234665627 631658492 /nfs/dbraw/zinc/65/84/92/631658492.db2.gz YOZFBBRSESHIFM-CYBMUJFWSA-N 0 3 248.326 0.634 20 0 BCADHN COC1CC(NCCS(=O)(=O)C(C)C)C1 ZINC000234663784 631659138 /nfs/dbraw/zinc/65/91/38/631659138.db2.gz KFJBOTGOWWZNKS-UHFFFAOYSA-N 0 3 235.349 0.577 20 0 BCADHN COCC[C@@H](C)NC(=O)[C@@H](N)CC1CC1 ZINC000308803598 631668031 /nfs/dbraw/zinc/66/80/31/631668031.db2.gz FLZNCENRNTUCLV-SCZZXKLOSA-N 0 3 214.309 0.655 20 0 BCADHN COCCCCNC(=O)[C@H](N)CC1CC1 ZINC000308800737 631668097 /nfs/dbraw/zinc/66/80/97/631668097.db2.gz 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CC[C@](C)(O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000934396423 631821108 /nfs/dbraw/zinc/82/11/08/631821108.db2.gz OUXXOMUJBMJGFQ-KWBADKCTSA-N 0 3 240.347 0.889 20 0 BCADHN CC[C@](C)(O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000934396424 631821265 /nfs/dbraw/zinc/82/12/65/631821265.db2.gz OUXXOMUJBMJGFQ-NRUUGDAUSA-N 0 3 240.347 0.889 20 0 BCADHN CN(C)C(=O)CCN1CCOC[C@@]1(C)C1CC1 ZINC000934480913 631874468 /nfs/dbraw/zinc/87/44/68/631874468.db2.gz ZXOSYFKTJSKUSH-ZDUSSCGKSA-N 0 3 240.347 0.966 20 0 BCADHN O[C@@H]1CCN(C[C@@H]2C[C@@]23CCOC3)C[C@@H]1F ZINC000934569169 631940192 /nfs/dbraw/zinc/94/01/92/631940192.db2.gz XMQQKYGMLLOQDJ-NNYUYHANSA-N 0 3 229.295 0.818 20 0 BCADHN C[C@H](N)c1cn(C[C@@](C)(O)C(F)(F)F)nn1 ZINC000309281810 631993110 /nfs/dbraw/zinc/99/31/10/631993110.db2.gz NNHLTCQCRROCFR-CAHLUQPWSA-N 0 3 238.213 0.611 20 0 BCADHN C[C@]1(NC(=O)[C@H](N)CC2CC2)CCOC1 ZINC000308868480 632015447 /nfs/dbraw/zinc/01/54/47/632015447.db2.gz RLWCFFZOIQTFGE-KOLCDFICSA-N 0 3 212.293 0.409 20 0 BCADHN CC[C@@](C)(CC(=O)OC)NCC(=O)N(C)OC ZINC000091514862 632042690 /nfs/dbraw/zinc/04/26/90/632042690.db2.gz LUFLASJYGSAYPZ-NSHDSACASA-N 0 3 246.307 0.328 20 0 BCADHN CON(C)C(=O)CN1CC[C@@H](C)[C@H]1C ZINC000091589342 632083790 /nfs/dbraw/zinc/08/37/90/632083790.db2.gz JQTUFYZGAALVBK-RKDXNWHRSA-N 0 3 200.282 0.737 20 0 BCADHN Cc1nc(Cl)cc(N[C@H](CO)CN(C)C)n1 ZINC000309463555 632100621 /nfs/dbraw/zinc/10/06/21/632100621.db2.gz OOUCAVHRWDJZQV-QMMMGPOBSA-N 0 3 244.726 0.773 20 0 BCADHN COCC[C@H](N)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000251794397 635707373 /nfs/dbraw/zinc/70/73/73/635707373.db2.gz GAFBHDFLLYVPMS-DCAQKATOSA-N 0 3 228.336 0.855 20 0 BCADHN CC[C@@H]1COC[C@H]1NCC(=O)NC(C)C ZINC000829418993 632112334 /nfs/dbraw/zinc/11/23/34/632112334.db2.gz GSECWCXERTWIJJ-NXEZZACHSA-N 0 3 214.309 0.526 20 0 BCADHN CS[C@H]1CC[C@@H](NC(=O)C2(N)CC2)C1 ZINC000161652316 632115863 /nfs/dbraw/zinc/11/58/63/632115863.db2.gz SCRRZPXCXDZNMU-SFYZADRCSA-N 0 3 214.334 0.878 20 0 BCADHN CC(=O)CCN1CCC(N2CCNC2=O)CC1 ZINC000126335357 632120911 /nfs/dbraw/zinc/12/09/11/632120911.db2.gz FNWDBLLSGQFCRB-UHFFFAOYSA-N 0 3 239.319 0.455 20 0 BCADHN CC(C)CCCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924472477 632133631 /nfs/dbraw/zinc/13/36/31/632133631.db2.gz MSASQXIELPHHHT-JTQLQIEISA-N 0 3 241.335 0.905 20 0 BCADHN CC(=O)N[C@H]1C[C@H](CNCc2cc(C)no2)C1 ZINC000982941164 635769908 /nfs/dbraw/zinc/76/99/08/635769908.db2.gz NARDIBHTGMBFNW-XYPYZODXSA-N 0 3 237.303 0.987 20 0 BCADHN C[C@@H](N1C(=O)N[C@@H](CN(C)C)C1=O)C(C)(C)C ZINC000924970015 635817551 /nfs/dbraw/zinc/81/75/51/635817551.db2.gz OSULCTAGERGYPQ-BDAKNGLRSA-N 0 3 241.335 0.903 20 0 BCADHN COC(CN1CCC([C@H](C)O)CC1)OC ZINC000161061019 632408651 /nfs/dbraw/zinc/40/86/51/632408651.db2.gz TXTKUZZFCZPROE-VIFPVBQESA-N 0 3 217.309 0.698 20 0 BCADHN Cc1cc(NC[C@@H]2COCCO2)nc(N)n1 ZINC000052490300 632423114 /nfs/dbraw/zinc/42/31/14/632423114.db2.gz SOVAQOFNVQVPBS-MRVPVSSYSA-N 0 3 224.264 0.195 20 0 BCADHN CC(C)NCc1cn(CCn2ccnc2)nn1 ZINC000052575427 632441544 /nfs/dbraw/zinc/44/15/44/632441544.db2.gz TZFNJPJCWJCFGW-UHFFFAOYSA-N 0 3 234.307 0.673 20 0 BCADHN COCCNCC(=O)N[C@H](C)CCSC ZINC000158331306 632465191 /nfs/dbraw/zinc/46/51/91/632465191.db2.gz YNPKGSRTCFMSHM-SECBINFHSA-N 0 3 234.365 0.480 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)OC1CCCC1 ZINC000161964567 632465342 /nfs/dbraw/zinc/46/53/42/632465342.db2.gz NBTNQPSJOPQDTR-YUMQZZPRSA-N 0 3 228.292 0.324 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1ccc2c[nH]nc2c1 ZINC000052792576 632490891 /nfs/dbraw/zinc/49/08/91/632490891.db2.gz DSLQCLBXZWBSAY-SNVBAGLBSA-N 0 3 248.286 0.865 20 0 BCADHN COCC[C@H](N)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000052792175 632491875 /nfs/dbraw/zinc/49/18/75/632491875.db2.gz WPQBJBLMZXIGGB-JTQLQIEISA-N 0 3 248.286 0.865 20 0 BCADHN COCC[C@H](N)C(=O)Nc1ccc(O)cc1 ZINC000052792569 632492170 /nfs/dbraw/zinc/49/21/70/632492170.db2.gz XJPPARCOCLCAFT-JTQLQIEISA-N 0 3 224.260 0.695 20 0 BCADHN COCC[C@@H](N)C(=O)N(C)CC(C)(C)C ZINC000052810306 632497494 /nfs/dbraw/zinc/49/74/94/632497494.db2.gz DGAAVRVCOUJXIP-SECBINFHSA-N 0 3 216.325 0.855 20 0 BCADHN COCC[C@@H](N)C(=O)N(CCOC)CC(C)C ZINC000052808608 632497559 /nfs/dbraw/zinc/49/75/59/632497559.db2.gz KDZOMWVETCNIFX-LLVKDONJSA-N 0 3 246.351 0.481 20 0 BCADHN COCC[C@H](N)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000052810220 632497686 /nfs/dbraw/zinc/49/76/86/632497686.db2.gz DOHZUBFFEXHSFE-GARJFASQSA-N 0 3 242.319 0.130 20 0 BCADHN CCN(C[C@@H]1CCCO1)C(=O)[C@@H](N)CCOC ZINC000052810070 632498344 /nfs/dbraw/zinc/49/83/44/632498344.db2.gz KGNXJADEQROCOY-QWRGUYRKSA-N 0 3 244.335 0.378 20 0 BCADHN COCC[C@H](N)C(=O)Nc1cccc(O)c1 ZINC000052809569 632498505 /nfs/dbraw/zinc/49/85/05/632498505.db2.gz URMMMVSPNMKCID-JTQLQIEISA-N 0 3 224.260 0.695 20 0 BCADHN COCC[C@@H](N)C(=O)NC[C@H]1Cc2ccccc21 ZINC000052807963 632499216 /nfs/dbraw/zinc/49/92/16/632499216.db2.gz GWRSAQNWECGRFD-DGCLKSJQSA-N 0 3 248.326 0.806 20 0 BCADHN CC1(C)CN(CCO)C[C@H]1NC(=O)C1CC1 ZINC000972728224 632647520 /nfs/dbraw/zinc/64/75/20/632647520.db2.gz NAZJCUQVIZRNTK-SNVBAGLBSA-N 0 3 226.320 0.215 20 0 BCADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)C1CC1 ZINC000972728222 632648438 /nfs/dbraw/zinc/64/84/38/632648438.db2.gz NAZJCUQVIZRNTK-JTQLQIEISA-N 0 3 226.320 0.215 20 0 BCADHN COC[C@H](CC(C)C)NCCS(C)(=O)=O ZINC000309163861 632655941 /nfs/dbraw/zinc/65/59/41/632655941.db2.gz IBCNLYOKOZRVOO-JTQLQIEISA-N 0 3 237.365 0.682 20 0 BCADHN CC(C)C(=O)N[C@H]1CN(C[C@@H](C)O)CC1(C)C ZINC000972820902 632683555 /nfs/dbraw/zinc/68/35/55/632683555.db2.gz HAVNVUKCAPUSOS-MNOVXSKESA-N 0 3 242.363 0.850 20 0 BCADHN COCCN(CCOC)C(=O)[C@@H](N)CC1CC1 ZINC000310130980 632701709 /nfs/dbraw/zinc/70/17/09/632701709.db2.gz YVKOUUNFQCZTSF-NSHDSACASA-N 0 3 244.335 0.235 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1CCN(C2CC2)CC1 ZINC000310166468 632705739 /nfs/dbraw/zinc/70/57/39/632705739.db2.gz NLYONHQDJGKLDJ-LBPRGKRZSA-N 0 3 237.347 0.420 20 0 BCADHN CN(Cc1cnn(C)c1)C(=O)[C@@H](N)CC1CC1 ZINC000310223211 632708074 /nfs/dbraw/zinc/70/80/74/632708074.db2.gz HPHMEZVOSMDJOV-NSHDSACASA-N 0 3 236.319 0.506 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1Cc1cnc(N)cn1 ZINC000310218458 632708317 /nfs/dbraw/zinc/70/83/17/632708317.db2.gz MIFAFXMGVIOPSH-ONGXEEELSA-N 0 3 236.319 0.794 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCN1Cc1cnc(N)cn1 ZINC000310218456 632708529 /nfs/dbraw/zinc/70/85/29/632708529.db2.gz MIFAFXMGVIOPSH-KOLCDFICSA-N 0 3 236.319 0.794 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H](C)c1cc[nH]c(=O)c1 ZINC000926637184 632756210 /nfs/dbraw/zinc/75/62/10/632756210.db2.gz KAANYTRSRZRLSG-FBIMIBRVSA-N 0 3 238.287 0.852 20 0 BCADHN CC(C)N(CCCN1CCOC1=O)CC(N)=O ZINC000065949744 632806728 /nfs/dbraw/zinc/80/67/28/632806728.db2.gz LNBWXYYXBLZKKH-UHFFFAOYSA-N 0 3 243.307 0.024 20 0 BCADHN CCOC(=O)[C@H](C)NC(=O)[C@H](N)CC(F)F ZINC000309211277 632815283 /nfs/dbraw/zinc/81/52/83/632815283.db2.gz SGUOGAKNQFAEEQ-NTSWFWBYSA-N 0 3 238.234 0.037 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NC[C@H](O)c1ccccc1 ZINC000924550767 632817460 /nfs/dbraw/zinc/81/74/60/632817460.db2.gz KFPIDBGYPONJDX-NWDGAFQWSA-N 0 3 248.326 0.834 20 0 BCADHN C=Cn1cc(CNCC[S@](C)=O)cn1 ZINC000235755944 632826685 /nfs/dbraw/zinc/82/66/85/632826685.db2.gz JMMMPEDLDOBRSN-AWEZNQCLSA-N 0 3 213.306 0.452 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1N[C@@H]1COC2(CCC2)C1 ZINC000926696518 632833302 /nfs/dbraw/zinc/83/33/02/632833302.db2.gz NDZFEAQESRAHSX-UWVGGRQHSA-N 0 3 238.331 0.812 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N([C@H]2C=CCC2)C1=O ZINC000924980901 635821863 /nfs/dbraw/zinc/82/18/63/635821863.db2.gz LQAYHYGQSHRYKV-IUCAKERBSA-N 0 3 223.276 0.187 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)c1cnon1 ZINC001024721188 632839536 /nfs/dbraw/zinc/83/95/36/632839536.db2.gz XOAJQTQMNPDQEV-SECBINFHSA-N 0 3 238.291 0.674 20 0 BCADHN COCCN(C)CCNCc1cn(C)cn1 ZINC000309266061 632862406 /nfs/dbraw/zinc/86/24/06/632862406.db2.gz JNIJUFIVLNRZCN-UHFFFAOYSA-N 0 3 226.324 0.088 20 0 BCADHN COCC[C@@H](N)C(=O)N(C)[C@H](C)C1CC1 ZINC000052791518 632894775 /nfs/dbraw/zinc/89/47/75/632894775.db2.gz KRRPAKBTXINOGS-PSASIEDQSA-N 0 3 214.309 0.607 20 0 BCADHN COCC[C@@H](N)C(=O)NCc1ccco1 ZINC000052790637 632895222 /nfs/dbraw/zinc/89/52/22/632895222.db2.gz WAXCBYFYSBULAP-SECBINFHSA-N 0 3 212.249 0.260 20 0 BCADHN COCC[C@H](N)C(=O)NCc1ccco1 ZINC000052790636 632895989 /nfs/dbraw/zinc/89/59/89/632895989.db2.gz WAXCBYFYSBULAP-VIFPVBQESA-N 0 3 212.249 0.260 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1cccnc1 ZINC000052790680 632898607 /nfs/dbraw/zinc/89/86/07/632898607.db2.gz WOUPMFNKWGNSNW-SECBINFHSA-N 0 3 209.249 0.384 20 0 BCADHN CCCNC(=O)CNC(C)(C)CC(=O)OC ZINC000177923324 632907297 /nfs/dbraw/zinc/90/72/97/632907297.db2.gz RXAAYKHLIHAUCG-UHFFFAOYSA-N 0 3 230.308 0.444 20 0 BCADHN CC/C(C)=C\C(=O)NC[C@@H]1C[C@@H](O)CN1C ZINC000924976978 635821204 /nfs/dbraw/zinc/82/12/04/635821204.db2.gz AVIAGEKCNAIECU-DESOLJLISA-N 0 3 226.320 0.524 20 0 BCADHN Cc1cc([C@H]2CCCN2C(=O)[C@H](C)N)no1 ZINC000309318060 632928804 /nfs/dbraw/zinc/92/88/04/632928804.db2.gz ZLLCFNIWJYHGAQ-WCBMZHEXSA-N 0 3 223.276 0.994 20 0 BCADHN Cc1cc([C@@H]2CCCN2C(=O)[C@H](C)N)no1 ZINC000309318063 632929593 /nfs/dbraw/zinc/92/95/93/632929593.db2.gz ZLLCFNIWJYHGAQ-WPRPVWTQSA-N 0 3 223.276 0.994 20 0 BCADHN CN1CC[C@@]2(CCN(c3ncc(C=O)cn3)C2)C1 ZINC000310873818 633011990 /nfs/dbraw/zinc/01/19/90/633011990.db2.gz UURNQGAZTGTZNI-CYBMUJFWSA-N 0 3 246.314 0.821 20 0 BCADHN CC[C@H]1COC[C@H]1N[C@@H](C)C(=O)N(C)OC ZINC000926771411 633020597 /nfs/dbraw/zinc/02/05/97/633020597.db2.gz BRJQJNJMYGIVMP-LPEHRKFASA-N 0 3 230.308 0.409 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1COC[C@@H]1C ZINC000926772716 633024592 /nfs/dbraw/zinc/02/45/92/633024592.db2.gz SLZGPOGXFXQMND-YIZRAAEISA-N 0 3 216.281 0.019 20 0 BCADHN O=C1N[C@H](CN2CCCCC2)C(=O)N1C1CC1 ZINC000925065816 635883873 /nfs/dbraw/zinc/88/38/73/635883873.db2.gz SREHVKYVIGLSNC-SNVBAGLBSA-N 0 3 237.303 0.555 20 0 BCADHN C[C@H](O)c1ncc(CNCCN2CCC2)s1 ZINC000309421038 633048315 /nfs/dbraw/zinc/04/83/15/633048315.db2.gz JVHSZVGCTWJNRK-VIFPVBQESA-N 0 3 241.360 0.992 20 0 BCADHN O[C@H](CNCc1c[nH]cn1)COCC1CC1 ZINC000163822452 633064951 /nfs/dbraw/zinc/06/49/51/633064951.db2.gz AEDUQPYRZQBZHM-LLVKDONJSA-N 0 3 225.292 0.287 20 0 BCADHN O[C@H](CNCc1cnc[nH]1)COCC1CC1 ZINC000163822452 633064959 /nfs/dbraw/zinc/06/49/59/633064959.db2.gz AEDUQPYRZQBZHM-LLVKDONJSA-N 0 3 225.292 0.287 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)NCc1cnc[nH]1 ZINC000163816756 633065361 /nfs/dbraw/zinc/06/53/61/633065361.db2.gz NWZLBHRRUWHNGU-BDAKNGLRSA-N 0 3 224.308 0.803 20 0 BCADHN CC(C)CCN1C(=O)C[C@H](N[C@H](C)CO)C1=O ZINC000653285670 633070048 /nfs/dbraw/zinc/07/00/48/633070048.db2.gz VLLIROWEUPNUEH-ZJUUUORDSA-N 0 3 242.319 0.130 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928425438 635898360 /nfs/dbraw/zinc/89/83/60/635898360.db2.gz IUYJTZJAXXJUKC-AXTSPUMRSA-N 0 3 240.303 0.004 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928425441 635898986 /nfs/dbraw/zinc/89/89/86/635898986.db2.gz IUYJTZJAXXJUKC-UTINFBMNSA-N 0 3 240.303 0.004 20 0 BCADHN C[NH+](C)C1CCN(c2cc(=O)[n-]cn2)CC1 ZINC000165387027 633091224 /nfs/dbraw/zinc/09/12/24/633091224.db2.gz VDRJSFAXRYOEQI-UHFFFAOYSA-N 0 3 222.292 0.300 20 0 BCADHN C[C@H](O)[C@@H]1CCN(c2ccnc(CO)c2)C1 ZINC000166041157 633105992 /nfs/dbraw/zinc/10/59/92/633105992.db2.gz SHHXJBOPALGLCI-VHSXEESVSA-N 0 3 222.288 0.781 20 0 BCADHN Cc1cccc(CN(C)C[C@@H](O)CO)c1 ZINC000122268449 633160652 /nfs/dbraw/zinc/16/06/52/633160652.db2.gz VOUGFMIVDXGJCL-GFCCVEGCSA-N 0 3 209.289 0.780 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2coc(CO)c2)CCN1C ZINC000928429071 635911056 /nfs/dbraw/zinc/91/10/56/635911056.db2.gz AYKIIROHAGXFSK-KWQFWETISA-N 0 3 238.287 0.594 20 0 BCADHN C[C@H]1CN(CCNCc2c[nH]cn2)CCO1 ZINC000309518937 633187601 /nfs/dbraw/zinc/18/76/01/633187601.db2.gz ZNSZICIOLVVXEI-JTQLQIEISA-N 0 3 224.308 0.220 20 0 BCADHN Cc1cn(C)nc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928430774 635915543 /nfs/dbraw/zinc/91/55/43/635915543.db2.gz JNAGQEQUFOEOSC-VHSXEESVSA-N 0 3 236.319 0.551 20 0 BCADHN C[C@H](CC[S@](C)=O)Nc1ccncc1CO ZINC000892721985 633192105 /nfs/dbraw/zinc/19/21/05/633192105.db2.gz VMURNJCRKATRER-ABKXIKBNSA-N 0 3 242.344 0.565 20 0 BCADHN CO[C@H](C)CC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000309600243 633210182 /nfs/dbraw/zinc/21/01/82/633210182.db2.gz WEXYAZFPFWIWRY-BBBLOLIVSA-N 0 3 214.309 0.620 20 0 BCADHN COC(=O)N1CC(N[C@H](C)COC(C)C)C1 ZINC000309669474 633221743 /nfs/dbraw/zinc/22/17/43/633221743.db2.gz VKFHGJNOXMCYGM-SECBINFHSA-N 0 3 230.308 0.840 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@H]2CCC=CO2)CCN1C ZINC000928433993 635927555 /nfs/dbraw/zinc/92/75/55/635927555.db2.gz CDOLQPUZNWQWGE-GMTAPVOTSA-N 0 3 224.304 0.888 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@H]2CC2(F)F)CCN1C ZINC000928433903 635927830 /nfs/dbraw/zinc/92/78/30/635927830.db2.gz NLSJYHZJCMTULN-GJMOJQLCSA-N 0 3 218.247 0.850 20 0 BCADHN CO[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1C)C(C)C ZINC000928436047 635932132 /nfs/dbraw/zinc/93/21/32/635932132.db2.gz IJAJYQQJUBCQAD-MXWKQRLJSA-N 0 3 228.336 0.866 20 0 BCADHN C[C@H]1[C@H](NC(=O)[C@H](O)c2ccccc2)CCN1C ZINC000928439164 635933383 /nfs/dbraw/zinc/93/33/83/635933383.db2.gz HXZQMVWOMXUMFI-CYZMBNFOSA-N 0 3 248.326 0.929 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCO2)CCN1C ZINC000928438832 635934103 /nfs/dbraw/zinc/93/41/03/635934103.db2.gz HPDGDYSBOKZJAR-OUAUKWLOSA-N 0 3 226.320 0.764 20 0 BCADHN Cc1ccnc(C(=O)N[C@H]2CCN(C)[C@@H]2C)n1 ZINC000928438999 635934212 /nfs/dbraw/zinc/93/42/12/635934212.db2.gz VSHKBFDWXUMTEY-ZJUUUORDSA-N 0 3 234.303 0.607 20 0 BCADHN C[C@@H]1NC(=S)N([C@@H]2CCCN(C)C2)C1=O ZINC000048843588 635934997 /nfs/dbraw/zinc/93/49/97/635934997.db2.gz FZERFQHZKMHPFI-JGVFFNPUSA-N 0 3 227.333 0.186 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2ccn(C)c2)CCN1C ZINC000928439754 635935829 /nfs/dbraw/zinc/93/58/29/635935829.db2.gz LWXVZKHOWMYEKH-GXSJLCMTSA-N 0 3 221.304 0.848 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCCn1ccnc1 ZINC000304346960 635939416 /nfs/dbraw/zinc/93/94/16/635939416.db2.gz JXVOBIYAAMJLLO-JTQLQIEISA-N 0 3 222.292 0.127 20 0 BCADHN CC(C)C[C@@H](O)CNC(=O)[C@H](N)CC1CC1 ZINC000304389167 635940397 /nfs/dbraw/zinc/94/03/97/635940397.db2.gz SMWAPKQYCFESDE-GHMZBOCLSA-N 0 3 228.336 0.637 20 0 BCADHN COC(=O)C[C@H](C)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928440485 635941173 /nfs/dbraw/zinc/94/11/73/635941173.db2.gz NKLGVGAMARIFPS-GUBZILKMSA-N 0 3 242.319 0.394 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCCO2)CCN1C ZINC000928440915 635941430 /nfs/dbraw/zinc/94/14/30/635941430.db2.gz NJTRFWPWIMCVBX-KXUCPTDWSA-N 0 3 212.293 0.374 20 0 BCADHN COCCCOCC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928441733 635944039 /nfs/dbraw/zinc/94/40/39/635944039.db2.gz TUJLDGZVCSPTGH-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)ncn1 ZINC000928442851 635947445 /nfs/dbraw/zinc/94/74/45/635947445.db2.gz RUQRMVACCPAPCC-VHSXEESVSA-N 0 3 234.303 0.607 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc(=O)[nH]1 ZINC000928443585 635947704 /nfs/dbraw/zinc/94/77/04/635947704.db2.gz ZTWFWIIRIONTFX-MWLCHTKSSA-N 0 3 249.314 0.918 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc(=O)[nH]1 ZINC000928443582 635947869 /nfs/dbraw/zinc/94/78/69/635947869.db2.gz ZTWFWIIRIONTFX-GXSJLCMTSA-N 0 3 249.314 0.918 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@H]2CCCCN2C)CCN1C ZINC000928444407 635948224 /nfs/dbraw/zinc/94/82/24/635948224.db2.gz ZAPKEAVCHOJOAS-UTUOFQBUSA-N 0 3 239.363 0.680 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)n(C)n1 ZINC000928445233 635948282 /nfs/dbraw/zinc/94/82/82/635948282.db2.gz POBBXOKIKOQNNR-VHSXEESVSA-N 0 3 236.319 0.551 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)n(C)n1 ZINC000928445232 635949364 /nfs/dbraw/zinc/94/93/64/635949364.db2.gz POBBXOKIKOQNNR-UWVGGRQHSA-N 0 3 236.319 0.551 20 0 BCADHN CCn1ccnc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928445572 635949835 /nfs/dbraw/zinc/94/98/35/635949835.db2.gz ZCRPSAFKCYAVCE-VHSXEESVSA-N 0 3 236.319 0.725 20 0 BCADHN C[C@H]1[C@H](NC(=O)Cc2ccon2)CCN1C ZINC000928447069 635951667 /nfs/dbraw/zinc/95/16/67/635951667.db2.gz IWSGAJFJUYQBJC-WCBMZHEXSA-N 0 3 223.276 0.426 20 0 BCADHN Cc1ncoc1CNCCCc1cnn(C)n1 ZINC000894857678 635956879 /nfs/dbraw/zinc/95/68/79/635956879.db2.gz OKISNHCKHTYSJA-UHFFFAOYSA-N 0 3 235.291 0.834 20 0 BCADHN Cc1nc([C@@H]2CCN(Cc3cnnn3C)C2)n[nH]1 ZINC000895006942 636014588 /nfs/dbraw/zinc/01/45/88/636014588.db2.gz CRBFKVFFSBXLHY-SECBINFHSA-N 0 3 247.306 0.231 20 0 BCADHN Cc1n[nH]c([C@@H]2CCN(Cc3cnnn3C)C2)n1 ZINC000895006942 636014591 /nfs/dbraw/zinc/01/45/91/636014591.db2.gz CRBFKVFFSBXLHY-SECBINFHSA-N 0 3 247.306 0.231 20 0 BCADHN Cc1nnc([C@@H]2CCN(Cc3cnnn3C)C2)[nH]1 ZINC000895006942 636014594 /nfs/dbraw/zinc/01/45/94/636014594.db2.gz CRBFKVFFSBXLHY-SECBINFHSA-N 0 3 247.306 0.231 20 0 BCADHN CN1C[C@H]2CCN(C(=O)NOCC3CC3)[C@H]2C1 ZINC000895042616 636019009 /nfs/dbraw/zinc/01/90/09/636019009.db2.gz CXRCBKLLDCYBGX-MNOVXSKESA-N 0 3 239.319 0.674 20 0 BCADHN C[C@@H]1C[C@H](O)CN(CC[S@@](C)=O)C1 ZINC000307124391 635982918 /nfs/dbraw/zinc/98/29/18/635982918.db2.gz RDKUDFRYBQWLNK-VYUIOLGVSA-N 0 3 205.323 0.068 20 0 BCADHN C[C@H]1[C@H](NC(=O)C2=COCC2)CCN1C ZINC000928453394 635995900 /nfs/dbraw/zinc/99/59/00/635995900.db2.gz ZRRNVPGKHQTPHH-WCBMZHEXSA-N 0 3 210.277 0.499 20 0 BCADHN Cc1cnc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cn1 ZINC000928457530 635997680 /nfs/dbraw/zinc/99/76/80/635997680.db2.gz QDWJBALOKLPJPH-VHSXEESVSA-N 0 3 234.303 0.607 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1CCN1C)N(C)C ZINC000928559766 636102385 /nfs/dbraw/zinc/10/23/85/636102385.db2.gz NQJRACWMDNDMRA-ZJUUUORDSA-N 0 3 213.325 0.147 20 0 BCADHN CC(C)N(C)CC(=O)NCC1(C)OCCO1 ZINC000179027213 636120271 /nfs/dbraw/zinc/12/02/71/636120271.db2.gz ZGCAFNGAWYUSNM-UHFFFAOYSA-N 0 3 230.308 0.206 20 0 BCADHN COCCOCCOCCN1CCC(O)CC1 ZINC000126957366 636125582 /nfs/dbraw/zinc/12/55/82/636125582.db2.gz YLAIRPXNWUPDAW-UHFFFAOYSA-N 0 3 247.335 0.123 20 0 BCADHN CC(=O)OC[C@@H](C)NC[C@H](O)c1ccco1 ZINC000309793915 633748639 /nfs/dbraw/zinc/74/86/39/633748639.db2.gz UXPAXEPSHRMMJJ-SCZZXKLOSA-N 0 3 227.260 0.854 20 0 BCADHN O=C(Cc1ccc[nH]1)N1CC[C@H](NCCF)C1 ZINC001019799523 633791092 /nfs/dbraw/zinc/79/10/92/633791092.db2.gz RTFSVXHKJXETBL-NSHDSACASA-N 0 3 239.294 0.717 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000892988592 633794340 /nfs/dbraw/zinc/79/43/40/633794340.db2.gz IOZATIAXEMTXOM-ONGXEEELSA-N 0 3 242.319 0.537 20 0 BCADHN C[C@@H]1[C@H](N[C@H]2C[C@H](C)n3ncnc32)CCN1C ZINC000926892780 633816377 /nfs/dbraw/zinc/81/63/77/633816377.db2.gz LNHXDLIEOHFRGA-ZDCRXTMVSA-N 0 3 235.335 0.966 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@@H]2C)c2ncnn21 ZINC000926892770 633816414 /nfs/dbraw/zinc/81/64/14/633816414.db2.gz LNHXDLIEOHFRGA-DBIOUOCHSA-N 0 3 235.335 0.966 20 0 BCADHN CCN1CCN(c2ccncc2CO)CC1=O ZINC000893164636 633869895 /nfs/dbraw/zinc/86/98/95/633869895.db2.gz RJFSFTROJLPKEF-UHFFFAOYSA-N 0 3 235.287 0.242 20 0 BCADHN Cc1nc(Cl)cc(N[C@@H](CO)CN(C)C)n1 ZINC000309463554 633923996 /nfs/dbraw/zinc/92/39/96/633923996.db2.gz OOUCAVHRWDJZQV-MRVPVSSYSA-N 0 3 244.726 0.773 20 0 BCADHN C[C@@H](C[C@H]1CCOC1)NCc1cn(C)nn1 ZINC000309577892 633959665 /nfs/dbraw/zinc/95/96/65/633959665.db2.gz PMTMGZFYEHIEBX-VHSXEESVSA-N 0 3 224.308 0.720 20 0 BCADHN COC(CN1CCC[C@H](OCCO)C1)OC ZINC000189032371 634161142 /nfs/dbraw/zinc/16/11/42/634161142.db2.gz YQIANNPKMNAXHG-JTQLQIEISA-N 0 3 233.308 0.079 20 0 BCADHN CCCCNC(=S)N[C@@H]1CCN(C)C1 ZINC000053528289 634231200 /nfs/dbraw/zinc/23/12/00/634231200.db2.gz NJEMNUVYDGGTAY-SECBINFHSA-N 0 3 215.366 0.955 20 0 BCADHN CNC(=O)CCCNc1cc(C)nc(N)n1 ZINC000053573595 634244496 /nfs/dbraw/zinc/24/44/96/634244496.db2.gz YVPZRWQEIIGIAX-UHFFFAOYSA-N 0 3 223.280 0.305 20 0 BCADHN OC[C@H](O)CN[C@H](c1ccccn1)C1CCC1 ZINC000931172501 634246622 /nfs/dbraw/zinc/24/66/22/634246622.db2.gz KJBYJSVFIQSESH-YPMHNXCESA-N 0 3 236.315 0.866 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1cccc[n+]1[O-] ZINC000194698236 634333084 /nfs/dbraw/zinc/33/30/84/634333084.db2.gz BMNPIZZHKBBEPO-SNVBAGLBSA-N 0 3 235.287 0.144 20 0 BCADHN C[C@H](O)CN1CCN(C[C@@H]2CCC=CO2)CC1 ZINC000194756869 634333595 /nfs/dbraw/zinc/33/35/95/634333595.db2.gz ASEGWMHAFDTHCF-STQMWFEESA-N 0 3 240.347 0.678 20 0 BCADHN COCC[C@@H](N)C(=O)N[C@H](C)C(C)(C)C ZINC000162765102 634349028 /nfs/dbraw/zinc/34/90/28/634349028.db2.gz FLUCMEPCJCTEGZ-RKDXNWHRSA-N 0 3 216.325 0.901 20 0 BCADHN Cc1csc([C@H]2CCN(C[C@@H](O)CO)C2)n1 ZINC000931616115 635112513 /nfs/dbraw/zinc/11/25/13/635112513.db2.gz ZFTZASUKIBDRKY-VHSXEESVSA-N 0 3 242.344 0.594 20 0 BCADHN O=C(NC[C@@H]1CCCN1CCO)c1ccccc1 ZINC001027729669 635128501 /nfs/dbraw/zinc/12/85/01/635128501.db2.gz VYYSEIAHBZLRDA-ZDUSSCGKSA-N 0 3 248.326 0.873 20 0 BCADHN CSCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000083118265 635171694 /nfs/dbraw/zinc/17/16/94/635171694.db2.gz JEUIDDPEPVHAHW-HTQZYQBOSA-N 0 3 202.323 0.558 20 0 BCADHN CN1CCNC[C@@H]1C(=O)NCc1cccs1 ZINC000258875330 635217148 /nfs/dbraw/zinc/21/71/48/635217148.db2.gz GJBMXBSJKDPMFM-SNVBAGLBSA-N 0 3 239.344 0.268 20 0 BCADHN C[C@@H](O)CN1CCCN(C(=O)C2CCC2)CC1 ZINC000980600758 635243003 /nfs/dbraw/zinc/24/30/03/635243003.db2.gz RBMHRAIXSAUPSO-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H](O)CN1CCCN(C(=O)CC2CC2)CC1 ZINC000980613113 635243583 /nfs/dbraw/zinc/24/35/83/635243583.db2.gz RALRYVTZNAYFOZ-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@](O)(CN1C[C@H]2C[C@@]2(O)C1)C(F)(F)F ZINC000931699924 635252778 /nfs/dbraw/zinc/25/27/78/635252778.db2.gz SHVMDXYMERVREK-HLTSFMKQSA-N 0 3 239.237 0.756 20 0 BCADHN CC[C@H](CO)NCc1cc(=O)c(OC)co1 ZINC000931769092 635332471 /nfs/dbraw/zinc/33/24/71/635332471.db2.gz WBIQCGZYFKJJND-MRVPVSSYSA-N 0 3 227.260 0.509 20 0 BCADHN C[C@@H]([NH2+]C[C@H](C)O)c1cccc(-c2nnn[n-]2)c1 ZINC000095246555 635438367 /nfs/dbraw/zinc/43/83/67/635438367.db2.gz SQQWRDUEHADDFG-DTWKUNHWSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@@H]([NH2+]C[C@H](C)O)c1cccc(-c2nn[n-]n2)c1 ZINC000095246555 635438385 /nfs/dbraw/zinc/43/83/85/635438385.db2.gz SQQWRDUEHADDFG-DTWKUNHWSA-N 0 3 247.302 0.898 20 0 BCADHN OCCOCCN[C@@H]1CCc2cccnc21 ZINC000226802775 635440206 /nfs/dbraw/zinc/44/02/06/635440206.db2.gz HNJIIIFBWXWXAD-LLVKDONJSA-N 0 3 222.288 0.667 20 0 BCADHN CCO[C@H]1C[C@@H](N[C@H]2CNOC2)C12CCC2 ZINC000925871553 635585476 /nfs/dbraw/zinc/58/54/76/635585476.db2.gz ZYSKDHDDIXHGSC-AXFHLTTASA-N 0 3 226.320 0.827 20 0 BCADHN C[C@H](NC[C@](C)(O)C1CC1)c1cnnn1C ZINC000925041851 635866767 /nfs/dbraw/zinc/86/67/67/635866767.db2.gz ZOIQDGGLFDABID-KWQFWETISA-N 0 3 224.308 0.627 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928430370 635914533 /nfs/dbraw/zinc/91/45/33/635914533.db2.gz WIZAECURNSUYNF-VEHGWODASA-N 0 3 212.293 0.132 20 0 BCADHN Cc1cc(CC(=O)N[C@@H]2CCN(C)[C@@H]2C)on1 ZINC000928436232 635931355 /nfs/dbraw/zinc/93/13/55/635931355.db2.gz OMBWUPBBAJHHJY-MWLCHTKSSA-N 0 3 237.303 0.734 20 0 BCADHN Cc1nc(C)c(C(=O)N[C@@H]2CCN(C)[C@@H]2C)[nH]1 ZINC000928436132 635931752 /nfs/dbraw/zinc/93/17/52/635931752.db2.gz UNXJVMHTLODJLJ-PSASIEDQSA-N 0 3 236.319 0.849 20 0 BCADHN CO[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1C)C(C)C ZINC000928436048 635931769 /nfs/dbraw/zinc/93/17/69/635931769.db2.gz IJAJYQQJUBCQAD-VWYCJHECSA-N 0 3 228.336 0.866 20 0 BCADHN C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCN1C ZINC000928441824 635942980 /nfs/dbraw/zinc/94/29/80/635942980.db2.gz PHJNWETZHWAHFU-ZYHUDNBSSA-N 0 3 233.315 0.833 20 0 BCADHN COc1cccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)n1 ZINC000928442199 635945483 /nfs/dbraw/zinc/94/54/83/635945483.db2.gz RNPXWGKSAADMCE-VHSXEESVSA-N 0 3 249.314 0.913 20 0 BCADHN CCC(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 ZINC000985187819 636260288 /nfs/dbraw/zinc/26/02/88/636260288.db2.gz VJUKOPWLDOQZMJ-SECBINFHSA-N 0 3 241.335 0.193 20 0 BCADHN COCC(=O)N1CCC(N(C)CCF)CC1 ZINC000985192082 636261305 /nfs/dbraw/zinc/26/13/05/636261305.db2.gz TVAPJXNHMSQRFU-UHFFFAOYSA-N 0 3 232.299 0.525 20 0 BCADHN O=C(C[C@@H]1CCC[NH2+]1)[N-]O[C@@H]1CCCCO1 ZINC000163242875 636302696 /nfs/dbraw/zinc/30/26/96/636302696.db2.gz MEIHBVLJRIJAFN-GXSJLCMTSA-N 0 3 228.292 0.703 20 0 BCADHN CCN(CC)CC(=O)NC[C@H](O)c1ccco1 ZINC000303235174 636303662 /nfs/dbraw/zinc/30/36/62/636303662.db2.gz ZCSXSWATLLHIIZ-JTQLQIEISA-N 0 3 240.303 0.771 20 0 BCADHN CC(=O)N1CC[C@H](NCc2n[nH]c(C)n2)[C@H]1C ZINC000985861607 636434972 /nfs/dbraw/zinc/43/49/72/636434972.db2.gz RIPXBHHTKZOFTI-XCBNKYQSSA-N 0 3 237.307 0.212 20 0 BCADHN COCC(=O)N1CC[C@@H](NCCF)[C@@H]1C ZINC000985867475 636437002 /nfs/dbraw/zinc/43/70/02/636437002.db2.gz GOTMNMKJBKDTBG-DTWKUNHWSA-N 0 3 218.272 0.181 20 0 BCADHN CC(C)CC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC000985907902 636450203 /nfs/dbraw/zinc/45/02/03/636450203.db2.gz LSTPKFNPCQSSNW-VHSXEESVSA-N 0 3 241.335 0.097 20 0 BCADHN CSCC(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC000985945448 636455915 /nfs/dbraw/zinc/45/59/15/636455915.db2.gz VMLLYHCGDTXYIS-IUCAKERBSA-N 0 3 234.340 0.898 20 0 BCADHN C[C@H]1[C@H](NCCF)CCN1C(=O)c1cc[nH]n1 ZINC000986001882 636464441 /nfs/dbraw/zinc/46/44/41/636464441.db2.gz DDYFAARCJIWLDX-DTWKUNHWSA-N 0 3 240.282 0.572 20 0 BCADHN C[C@@H]1[C@@H](NCCF)CCN1C(=O)c1ncc[nH]1 ZINC000986257612 636550156 /nfs/dbraw/zinc/55/01/56/636550156.db2.gz NAXDQWFENAVYOP-BDAKNGLRSA-N 0 3 240.282 0.572 20 0 BCADHN OCc1cc(N2CC[C@H](O)[C@H](F)C2)ccn1 ZINC000897381235 636564891 /nfs/dbraw/zinc/56/48/91/636564891.db2.gz UYEGZZSHOFNNSP-MNOVXSKESA-N 0 3 226.251 0.483 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CO[C@H](C2CC2)C1 ZINC000862541940 636629047 /nfs/dbraw/zinc/62/90/47/636629047.db2.gz AASGJZMLBYBXFX-IEBDPFPHSA-N 0 3 242.319 0.552 20 0 BCADHN C[C@H]1[C@H](NCCF)CCN1C(=O)c1cnon1 ZINC000987206133 636640842 /nfs/dbraw/zinc/64/08/42/636640842.db2.gz MBQKQUZHRVOTOU-JGVFFNPUSA-N 0 3 242.254 0.232 20 0 BCADHN COCC(=O)N1C[C@@H](NCCF)C[C@H]1C ZINC000987666447 636659141 /nfs/dbraw/zinc/65/91/41/636659141.db2.gz IKLYXUVURUGPDW-BDAKNGLRSA-N 0 3 218.272 0.181 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NCCc1cscn1 ZINC000925286901 636726484 /nfs/dbraw/zinc/72/64/84/636726484.db2.gz UFRUNYIJKAGAIZ-SECBINFHSA-N 0 3 239.344 0.800 20 0 BCADHN CCCN1CC(=O)N(C[C@@H]2CCCN2C)C1=O ZINC000925289489 636735268 /nfs/dbraw/zinc/73/52/68/636735268.db2.gz UAKBAQZCOYBLSI-JTQLQIEISA-N 0 3 239.319 0.755 20 0 BCADHN CC[C@@]1(C)NC(=O)N(C[C@@H]2CCCN2C)C1=O ZINC000925290262 636736316 /nfs/dbraw/zinc/73/63/16/636736316.db2.gz CTKZDZTUYFLDAN-JOYOIKCWSA-N 0 3 239.319 0.801 20 0 BCADHN CN1CCC[C@H]1CN1C(=O)N[C@H](C2CC2)C1=O ZINC000925293657 636742836 /nfs/dbraw/zinc/74/28/36/636742836.db2.gz QPSAKGKBHXYAQD-VHSXEESVSA-N 0 3 237.303 0.411 20 0 BCADHN CN1CCC[C@@H]1CN1C(=O)N[C@@H](CCF)C1=O ZINC000925294190 636748340 /nfs/dbraw/zinc/74/83/40/636748340.db2.gz SVGHNDXXEMZTEW-BDAKNGLRSA-N 0 3 243.282 0.361 20 0 BCADHN CC(C)CN1CCN(C[C@H](O)[C@H](C)O)CC1 ZINC000929093019 636791733 /nfs/dbraw/zinc/79/17/33/636791733.db2.gz XNXCRDQURNYCEE-RYUDHWBXSA-N 0 3 230.352 0.002 20 0 BCADHN CN(C)C(=O)CNC[C@@H](O)c1ccccc1 ZINC000035114514 636792711 /nfs/dbraw/zinc/79/27/11/636792711.db2.gz HYZIYCLOEIQFGN-LLVKDONJSA-N 0 3 222.288 0.398 20 0 BCADHN CCN1CC[C@@H](N2C(=O)N[C@H](CCF)C2=O)C1 ZINC000925319298 636835230 /nfs/dbraw/zinc/83/52/30/636835230.db2.gz BOTPGVBBWDGXAI-RKDXNWHRSA-N 0 3 243.282 0.361 20 0 BCADHN C[C@]1(NCc2ccc3[nH]cnc3c2)CCNC1=O ZINC000897873441 636841762 /nfs/dbraw/zinc/84/17/62/636841762.db2.gz YSLDNSGLHMRPAA-ZDUSSCGKSA-N 0 3 244.298 0.931 20 0 BCADHN C[C@]1(NCc2ccc3nc[nH]c3c2)CCNC1=O ZINC000897873441 636841764 /nfs/dbraw/zinc/84/17/64/636841764.db2.gz YSLDNSGLHMRPAA-ZDUSSCGKSA-N 0 3 244.298 0.931 20 0 BCADHN C[C@@]1(NCC2=CCCOC2)CCNC1=O ZINC000897873584 636841894 /nfs/dbraw/zinc/84/18/94/636841894.db2.gz ZMGCJYHRSPWWNE-LLVKDONJSA-N 0 3 210.277 0.201 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)N(C)CC(F)F)CCN1C ZINC000925321209 636859978 /nfs/dbraw/zinc/85/99/78/636859978.db2.gz JQKKTYMFXQYKRF-SFYZADRCSA-N 0 3 235.278 0.986 20 0 BCADHN C[C@@H]1C[C@H](NCCF)CN1C(=O)c1cnon1 ZINC000989580111 636864913 /nfs/dbraw/zinc/86/49/13/636864913.db2.gz LGFQCAGWLWSLPL-SFYZADRCSA-N 0 3 242.254 0.232 20 0 BCADHN C[C@@H]1CCN1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925323020 636865171 /nfs/dbraw/zinc/86/51/71/636865171.db2.gz YLJYRVVSEMMSGO-BBBLOLIVSA-N 0 3 211.309 0.883 20 0 BCADHN CCN1CC[C@H](N2C(=O)NC3(CCC3)C2=O)C1 ZINC000925325138 636878159 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640242824 /nfs/dbraw/zinc/24/28/24/640242824.db2.gz XVSULTCBCUIUJC-SECBINFHSA-N 0 3 221.304 0.793 20 0 BCADHN C[C@H]1[C@@H](NC(=O)Nc2cn(C)nn2)CCN1C ZINC000931510521 640243104 /nfs/dbraw/zinc/24/31/04/640243104.db2.gz ZLHGBMWFTFVOAM-YUMQZZPRSA-N 0 3 238.295 0.029 20 0 BCADHN Cc1nc([C@H](C)N2CCn3ccnc32)n[nH]1 ZINC000931518097 640243747 /nfs/dbraw/zinc/24/37/47/640243747.db2.gz CNGWXSJWBJAGME-ZETCQYMHSA-N 0 3 218.264 0.891 20 0 BCADHN O=C(Cc1ccncc1)N1CC[C@H](N2CCC2)C1 ZINC000912922262 640245928 /nfs/dbraw/zinc/24/59/28/640245928.db2.gz OSSAQUFCBKLFBI-ZDUSSCGKSA-N 0 3 245.326 0.931 20 0 BCADHN COC/C(C)=C/C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912903247 640246720 /nfs/dbraw/zinc/24/67/20/640246720.db2.gz QJMDOWCHGXUOOX-JATZPVMKSA-N 0 3 238.331 0.886 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H](N2CCC2)C1)N(C)C ZINC000912903553 640248794 /nfs/dbraw/zinc/24/87/94/640248794.db2.gz NFYMLEQQVXGVED-GHMZBOCLSA-N 0 3 225.336 0.243 20 0 BCADHN O=C(CCc1cn[nH]c1)N1CC[C@H](N2CCC2)C1 ZINC000912904050 640250569 /nfs/dbraw/zinc/25/05/69/640250569.db2.gz OPXIHBVFZKWLEE-LBPRGKRZSA-N 0 3 248.330 0.649 20 0 BCADHN C[C@H]1[C@H](NC(=O)Nc2ncn(C)n2)CCN1C ZINC000931541603 640263619 /nfs/dbraw/zinc/26/36/19/640263619.db2.gz FIWKEAXNZKKYRN-JGVFFNPUSA-N 0 3 238.295 0.029 20 0 BCADHN C[C@H](O)[C@H](O)CN[C@@H]1CCCn2nccc21 ZINC000931572120 640280149 /nfs/dbraw/zinc/28/01/49/640280149.db2.gz XNSQDDOGAIKUKN-IQJOONFLSA-N 0 3 225.292 0.049 20 0 BCADHN FCCn1cc(CN2C[C@@H]3COC[C@@H]3C2)cn1 ZINC000931606364 640284714 /nfs/dbraw/zinc/28/47/14/640284714.db2.gz DQOZLICTKDGIGB-TXEJJXNPSA-N 0 3 239.294 0.931 20 0 BCADHN CCOC(=O)[C@@H]1C[C@H]1CN1CC=C[C@@H]1CO ZINC000931699261 640323278 /nfs/dbraw/zinc/32/32/78/640323278.db2.gz BCLKSMACBOLXHT-HBNTYKKESA-N 0 3 225.288 0.418 20 0 BCADHN COC/C(C)=C/CN1CC[C@](O)(C(=O)OC)C1 ZINC000931708511 640329574 /nfs/dbraw/zinc/32/95/74/640329574.db2.gz GMFSUBPDRWFUPT-LHJMJDNXSA-N 0 3 243.303 0.189 20 0 BCADHN CC[C@H](C(=O)NCc1nc(C)c[nH]1)N(C)C ZINC000913213925 640339605 /nfs/dbraw/zinc/33/96/05/640339605.db2.gz ICACVKSNTKQASB-SECBINFHSA-N 0 3 224.308 0.675 20 0 BCADHN Cc1c[nH]c(CNC(=O)[C@@H](C(C)C)N(C)C)n1 ZINC000913213978 640340177 /nfs/dbraw/zinc/34/01/77/640340177.db2.gz KQCQQQUUGYRZOC-LLVKDONJSA-N 0 3 238.335 0.921 20 0 BCADHN COC/C(C)=C/CN(C)[C@@H]1COC[C@H]1O ZINC000931747790 640351071 /nfs/dbraw/zinc/35/10/71/640351071.db2.gz XPPQWOMBCJBPOC-MJMLHWTPSA-N 0 3 215.293 0.271 20 0 BCADHN CCO[C@H]1[C@H](C(=O)NC[C@@H]2CCCN2C)[C@@H]1C ZINC000913333413 640354871 /nfs/dbraw/zinc/35/48/71/640354871.db2.gz TYBLIZYVQVESJU-NNYUYHANSA-N 0 3 240.347 0.868 20 0 BCADHN CC[C@@H](CO)NCC(=O)Nc1ncccc1C ZINC000931771730 640365137 /nfs/dbraw/zinc/36/51/37/640365137.db2.gz INEWEMVJKYHJCM-JTQLQIEISA-N 0 3 237.303 0.689 20 0 BCADHN C[C@H]1[C@H](NC(=O)Nc2ncccn2)CCN1C ZINC000931815621 640375230 /nfs/dbraw/zinc/37/52/30/640375230.db2.gz RGJQHDALLDSAAE-DTWKUNHWSA-N 0 3 235.291 0.691 20 0 BCADHN CC[C@H](CO)N1CC[C@@H](c2noc(C)n2)C1 ZINC000931935632 640396540 /nfs/dbraw/zinc/39/65/40/640396540.db2.gz GOTWUHZOARRAJR-NXEZZACHSA-N 0 3 225.292 0.938 20 0 BCADHN Cc1nc([C@H]2CCN(C[C@H](C)CO)C2)no1 ZINC000931941380 640399155 /nfs/dbraw/zinc/39/91/55/640399155.db2.gz RFKAHQUMFUSZOH-WPRPVWTQSA-N 0 3 225.292 0.796 20 0 BCADHN Cc1nc([C@@H]2CCN(CCCCO)C2)no1 ZINC000931948418 640402128 /nfs/dbraw/zinc/40/21/28/640402128.db2.gz ITFPKERYOVNMTD-SNVBAGLBSA-N 0 3 225.292 0.940 20 0 BCADHN C[C@@H](Cn1ccnc1)NCc1c[nH]cn1 ZINC000054764951 640405638 /nfs/dbraw/zinc/40/56/38/640405638.db2.gz NYBZOVKTDYVMJL-VIFPVBQESA-N 0 3 205.265 0.785 20 0 BCADHN Cc1cc(CN2CC[C@@H](C3OCCO3)C2)ncn1 ZINC000932001462 640406785 /nfs/dbraw/zinc/40/67/85/640406785.db2.gz YXBOGABLAHMYPA-LLVKDONJSA-N 0 3 249.314 0.980 20 0 BCADHN CN1CCC[C@H](NC(=O)CC2(C)COC2)C1 ZINC000932070082 640418864 /nfs/dbraw/zinc/41/88/64/640418864.db2.gz FXNCNYSZWZOWTM-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN c1nc(CNCCOc2cccnc2)c[nH]1 ZINC000164069866 640439352 /nfs/dbraw/zinc/43/93/52/640439352.db2.gz MYFUOIKUXMHALM-UHFFFAOYSA-N 0 3 218.260 0.973 20 0 BCADHN c1ncc(CNCCOc2cccnc2)[nH]1 ZINC000164069866 640439354 /nfs/dbraw/zinc/43/93/54/640439354.db2.gz MYFUOIKUXMHALM-UHFFFAOYSA-N 0 3 218.260 0.973 20 0 BCADHN c1nc(CNCCOC[C@H]2CCCO2)c[nH]1 ZINC000164074351 640439494 /nfs/dbraw/zinc/43/94/94/640439494.db2.gz DGWFFLRMUKQKFI-LLVKDONJSA-N 0 3 225.292 0.695 20 0 BCADHN c1ncc(CNCCOC[C@H]2CCCO2)[nH]1 ZINC000164074351 640439501 /nfs/dbraw/zinc/43/95/01/640439501.db2.gz DGWFFLRMUKQKFI-LLVKDONJSA-N 0 3 225.292 0.695 20 0 BCADHN CCNCC(=O)Nc1cccnc1-n1cncn1 ZINC000044651153 640448408 /nfs/dbraw/zinc/44/84/08/640448408.db2.gz UUSSATLFEIVQFN-UHFFFAOYSA-N 0 3 246.274 0.210 20 0 BCADHN CSC[C@](C)(O)CNCc1c[nH]cn1 ZINC000164250580 640457836 /nfs/dbraw/zinc/45/78/36/640457836.db2.gz KOKYMSHDNUTFAW-SECBINFHSA-N 0 3 215.322 0.613 20 0 BCADHN CS[C@@H](CO)[C@H](C)NCc1c[nH]cn1 ZINC000164274091 640459378 /nfs/dbraw/zinc/45/93/78/640459378.db2.gz KXCTYWWEFVMMIC-CBAPKCEASA-N 0 3 215.322 0.612 20 0 BCADHN CS[C@@H](CO)[C@H](C)NCc1cnc[nH]1 ZINC000164274091 640459382 /nfs/dbraw/zinc/45/93/82/640459382.db2.gz KXCTYWWEFVMMIC-CBAPKCEASA-N 0 3 215.322 0.612 20 0 BCADHN CNC(=O)CCN1CCC[C@@H]1c1ccnn1C ZINC000932270556 640466695 /nfs/dbraw/zinc/46/66/95/640466695.db2.gz GSJGRWCMUWRPJX-LLVKDONJSA-N 0 3 236.319 0.693 20 0 BCADHN C[C@H](O)CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001030032548 640476385 /nfs/dbraw/zinc/47/63/85/640476385.db2.gz RWDQHNBNFFBXBM-NOOOWODRSA-N 0 3 240.347 0.604 20 0 BCADHN C[C@@H]1CCN(CCO[C@@H]2CCOC2)CCO1 ZINC000932336890 640478033 /nfs/dbraw/zinc/47/80/33/640478033.db2.gz NXBKODQHFQHJKV-VXGBXAGGSA-N 0 3 229.320 0.903 20 0 BCADHN C[C@H]1CCN(CCc2cn[nH]n2)CCO1 ZINC000932341100 640483961 /nfs/dbraw/zinc/48/39/61/640483961.db2.gz IJWPXSLFZZTUSC-VIFPVBQESA-N 0 3 210.281 0.458 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@@H](CC)N(C)C ZINC000164662344 640495132 /nfs/dbraw/zinc/49/51/32/640495132.db2.gz IXZWQDWPXUPCTE-SNVBAGLBSA-N 0 3 244.335 0.786 20 0 BCADHN CCN1CCCN(C(=O)[C@@H]2C[C@H]2OC)CC1 ZINC000932353102 640496719 /nfs/dbraw/zinc/49/67/19/640496719.db2.gz JAKIEAPUPILPRF-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN CC[NH+](CC)CCNc1cc(=O)[n-]cn1 ZINC000165170079 640544653 /nfs/dbraw/zinc/54/46/53/640544653.db2.gz WNQBXLKPMDBYTC-UHFFFAOYSA-N 0 3 210.281 0.524 20 0 BCADHN CC[NH+](CC)CCCNc1cc(=O)[n-]cn1 ZINC000165175521 640546206 /nfs/dbraw/zinc/54/62/06/640546206.db2.gz BQOVDWHJPCBJSB-UHFFFAOYSA-N 0 3 224.308 0.914 20 0 BCADHN O=c1cc(N[C@H]2CC[N@@H+](C3CC3)C2)nc[n-]1 ZINC000165225476 640549886 /nfs/dbraw/zinc/54/98/86/640549886.db2.gz VCZSYMIBKIBDPZ-QMMMGPOBSA-N 0 3 220.276 0.419 20 0 BCADHN O=c1cc(N[C@H]2CC[N@H+](C3CC3)C2)nc[n-]1 ZINC000165225476 640549889 /nfs/dbraw/zinc/54/98/89/640549889.db2.gz VCZSYMIBKIBDPZ-QMMMGPOBSA-N 0 3 220.276 0.419 20 0 BCADHN O=c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc[n-]1 ZINC000165225361 640551485 /nfs/dbraw/zinc/55/14/85/640551485.db2.gz VCZSYMIBKIBDPZ-MRVPVSSYSA-N 0 3 220.276 0.419 20 0 BCADHN O=c1cc(N[C@@H]2CC[N@H+](C3CC3)C2)nc[n-]1 ZINC000165225361 640551491 /nfs/dbraw/zinc/55/14/91/640551491.db2.gz VCZSYMIBKIBDPZ-MRVPVSSYSA-N 0 3 220.276 0.419 20 0 BCADHN C[C@H]1COC[C@H]1NCc1[nH]nc2c1COCC2 ZINC000932486532 640551796 /nfs/dbraw/zinc/55/17/96/640551796.db2.gz BMRUANSIEIYXKQ-QPUJVOFHSA-N 0 3 237.303 0.607 20 0 BCADHN C[C@@H]1C[C@@H](Nc2cc(=O)[n-]cn2)CC[N@@H+]1C ZINC000165316438 640554525 /nfs/dbraw/zinc/55/45/25/640554525.db2.gz MHHZGVZBKUACRX-BDAKNGLRSA-N 0 3 222.292 0.665 20 0 BCADHN C[C@@H]1C[C@@H](Nc2cc(=O)[n-]cn2)CC[N@H+]1C ZINC000165316438 640554530 /nfs/dbraw/zinc/55/45/30/640554530.db2.gz MHHZGVZBKUACRX-BDAKNGLRSA-N 0 3 222.292 0.665 20 0 BCADHN C[C@@H]1COC[C@H]1NCc1cccnc1N ZINC000932492240 640556876 /nfs/dbraw/zinc/55/68/76/640556876.db2.gz PGTJRIIJDTYIEL-PSASIEDQSA-N 0 3 207.277 0.788 20 0 BCADHN C[C@@H]1COC[C@H]1NCC(=O)N1CCC[C@@H](C)C1 ZINC000932497833 640558718 /nfs/dbraw/zinc/55/87/18/640558718.db2.gz MMCICDXJWFSYRP-IJLUTSLNSA-N 0 3 240.347 0.869 20 0 BCADHN CCCCCNC(=O)CN[C@@H]1COC[C@H]1C ZINC000932496108 640558751 /nfs/dbraw/zinc/55/87/51/640558751.db2.gz ARSXTRWQMCTPMI-GHMZBOCLSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@@H]1COC[C@H]1NCC(=O)NCC1CCC1 ZINC000932501156 640560353 /nfs/dbraw/zinc/56/03/53/640560353.db2.gz OBTMTGDCKCITQX-MWLCHTKSSA-N 0 3 226.320 0.527 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000932547855 640574173 /nfs/dbraw/zinc/57/41/73/640574173.db2.gz UFJIBSPWVKJBHA-IJLUTSLNSA-N 0 3 238.331 0.716 20 0 BCADHN CN(C[C@H]1CCC[N@@H+]1C)c1cc(=O)[n-]cn1 ZINC000165428465 640574210 /nfs/dbraw/zinc/57/42/10/640574210.db2.gz YDFIHQLXICNPPW-SECBINFHSA-N 0 3 222.292 0.300 20 0 BCADHN CN(C[C@H]1CCC[N@H+]1C)c1cc(=O)[n-]cn1 ZINC000165428465 640574216 /nfs/dbraw/zinc/57/42/16/640574216.db2.gz YDFIHQLXICNPPW-SECBINFHSA-N 0 3 222.292 0.300 20 0 BCADHN COC1CN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC000932611621 640584920 /nfs/dbraw/zinc/58/49/20/640584920.db2.gz IMFSQMJDVXPSEO-LLVKDONJSA-N 0 3 226.320 0.716 20 0 BCADHN Cc1cc(N[C@@H](C)C[C@H](C)O)nc(N)n1 ZINC000165791782 640593701 /nfs/dbraw/zinc/59/37/01/640593701.db2.gz NMYULVWGAZBSAX-XPUUQOCRSA-N 0 3 210.281 0.939 20 0 BCADHN CC[N@@H+]1CC[C@@]2(NC(=O)c3cnn[n-]3)CCC[C@@H]12 ZINC000991574958 640594509 /nfs/dbraw/zinc/59/45/09/640594509.db2.gz ZXGGMUDJJGYJTM-PWSUYJOCSA-N 0 3 249.318 0.551 20 0 BCADHN CC[N@H+]1CC[C@@]2(NC(=O)c3cnn[n-]3)CCC[C@@H]12 ZINC000991574958 640594513 /nfs/dbraw/zinc/59/45/13/640594513.db2.gz ZXGGMUDJJGYJTM-PWSUYJOCSA-N 0 3 249.318 0.551 20 0 BCADHN CCOC(=O)[C@H]1CCN(CCC(C)=O)C1 ZINC000932647689 640598858 /nfs/dbraw/zinc/59/88/58/640598858.db2.gz IJECQOZARBLEFN-JTQLQIEISA-N 0 3 213.277 0.851 20 0 BCADHN CC(C)N(C)CCNC(=O)c1ccc(C=O)cn1 ZINC000932728286 640605672 /nfs/dbraw/zinc/60/56/72/640605672.db2.gz ICFIYLLRWQGFPO-UHFFFAOYSA-N 0 3 249.314 0.964 20 0 BCADHN CCCNC(=S)N1CCCN(C)CC1 ZINC000057434821 640607238 /nfs/dbraw/zinc/60/72/38/640607238.db2.gz LUKKAYXIUMDGIF-UHFFFAOYSA-N 0 3 215.366 0.908 20 0 BCADHN CNC(=O)[C@H](C)CN(C)c1cc(C)nc(N)n1 ZINC000224422020 640618272 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/nfs/dbraw/zinc/04/66/89/712046689.db2.gz HRUFRZUGPOOYOR-JFGNBEQYSA-N 0 3 225.336 0.324 20 0 BCADHN CC(C)[C@@H](NC(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000702391405 712049871 /nfs/dbraw/zinc/04/98/71/712049871.db2.gz NDQPHHYWIJVXGT-WDEREUQCSA-N 0 3 227.352 0.426 20 0 BCADHN CCCN(CCC)C(=O)[C@@H](N)CN(C)C ZINC000702393714 712050096 /nfs/dbraw/zinc/05/00/96/712050096.db2.gz HYROHSCMIBOTBT-JTQLQIEISA-N 0 3 215.341 0.524 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000702388741 712050481 /nfs/dbraw/zinc/05/04/81/712050481.db2.gz BEBYJBBKKKLMND-KXNHARMFSA-N 0 3 239.363 0.428 20 0 BCADHN CCCN(C(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000702382466 712049101 /nfs/dbraw/zinc/04/91/01/712049101.db2.gz AZCNRKSCXXIVSN-JTQLQIEISA-N 0 3 213.325 0.276 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCc1ccsc1 ZINC000702416413 712051358 /nfs/dbraw/zinc/05/13/58/712051358.db2.gz YECUSDFNGAMOBH-JTQLQIEISA-N 0 3 241.360 0.296 20 0 BCADHN C[C@H](N[C@H]1CCC(=O)N(C)C1=O)C1(Cl)CC1 ZINC000702412584 712051595 /nfs/dbraw/zinc/05/15/95/712051595.db2.gz DXVLLPISOFZJPC-YUMQZZPRSA-N 0 3 244.722 0.883 20 0 BCADHN C[C@H]1CCCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000703226160 712068614 /nfs/dbraw/zinc/06/86/14/712068614.db2.gz YMVXXJBRCQMFJA-QWRGUYRKSA-N 0 3 227.352 0.524 20 0 BCADHN COC[C@H](C)OC(=O)NC[C@H]1CCCN1C ZINC000704405041 712106851 /nfs/dbraw/zinc/10/68/51/712106851.db2.gz LNNQUAWFORNCOQ-VHSXEESVSA-N 0 3 230.308 0.842 20 0 BCADHN NC1(C(=O)NCC[C@@H]2CCSC2)CC1 ZINC000704771244 712116158 /nfs/dbraw/zinc/11/61/58/712116158.db2.gz UUWHWNPGEBTOLZ-MRVPVSSYSA-N 0 3 214.334 0.737 20 0 BCADHN CO[C@@H](CN)C(=O)NCC[C@H]1CCSC1 ZINC000704814044 712118515 /nfs/dbraw/zinc/11/85/15/712118515.db2.gz SWMJNPJCQGGNOP-IUCAKERBSA-N 0 3 232.349 0.220 20 0 BCADHN Cc1cnc(NC(=O)[C@@H](N)CN(C)C)s1 ZINC000705308438 712127847 /nfs/dbraw/zinc/12/78/47/712127847.db2.gz NYEKXPAPSVJOGV-ZETCQYMHSA-N 0 3 228.321 0.279 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCCC(F)(F)C1 ZINC000705395343 712129667 /nfs/dbraw/zinc/12/96/67/712129667.db2.gz XTLNKXXPNDFQJI-QMMMGPOBSA-N 0 3 235.278 0.133 20 0 BCADHN CCC[C@H](CNC(=O)[C@H](CN)OC)OCC ZINC000705347224 712129842 /nfs/dbraw/zinc/12/98/42/712129842.db2.gz SNHJOVZBFBWPPG-ZJUUUORDSA-N 0 3 232.324 0.282 20 0 BCADHN Cc1c(CN2C[C@H](O)[C@@H](C)C2)cnn1C ZINC000705808083 712135892 /nfs/dbraw/zinc/13/58/92/712135892.db2.gz DDYGREOYQMDDOT-KWQFWETISA-N 0 3 209.293 0.541 20 0 BCADHN CCC[C@@H]1CN(C(=O)[C@@H](N)CCOC)CCO1 ZINC000709054312 712207241 /nfs/dbraw/zinc/20/72/41/712207241.db2.gz LBERNPZOUFLLCR-MNOVXSKESA-N 0 3 244.335 0.378 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCc1ccns1 ZINC000709790964 712227168 /nfs/dbraw/zinc/22/71/68/712227168.db2.gz OEBZUPLHGVQIHJ-MRVPVSSYSA-N 0 3 248.373 0.708 20 0 BCADHN C[C@H](NCC[C@@]1(O)CCOC1)c1cn(C)cn1 ZINC000709987904 712237101 /nfs/dbraw/zinc/23/71/01/712237101.db2.gz WYNCLIBBIBNKOX-CMPLNLGQSA-N 0 3 239.319 0.612 20 0 BCADHN OC[C@@H](O)CN1CC[C@@H](c2nccs2)C1 ZINC000710672425 712265263 /nfs/dbraw/zinc/26/52/63/712265263.db2.gz YORSTSMEWUXPPJ-BDAKNGLRSA-N 0 3 228.317 0.286 20 0 BCADHN COC1(OC)CC[C@H]1NC[C@H]1COCCO1 ZINC000710960049 712268271 /nfs/dbraw/zinc/26/82/71/712268271.db2.gz LZSJDKVELVOPHO-VHSXEESVSA-N 0 3 231.292 0.143 20 0 BCADHN COC1(OC)CC[C@H]1NCCN1CCCC1=O ZINC000710964220 712269058 /nfs/dbraw/zinc/26/90/58/712269058.db2.gz FVDATAOVDNTAFF-SNVBAGLBSA-N 0 3 242.319 0.350 20 0 BCADHN COC1(OC)CC[C@H]1NCC1([S@@](C)=O)CC1 ZINC000710962024 712269085 /nfs/dbraw/zinc/26/90/85/712269085.db2.gz SDJWYBKBPVKNCW-JDNHERCYSA-N 0 3 247.360 0.639 20 0 BCADHN COC[C@H](CCO)N[C@H]1CCC1(OC)OC ZINC000710962371 712269090 /nfs/dbraw/zinc/26/90/90/712269090.db2.gz ATHGTWFGBHVXIO-UWVGGRQHSA-N 0 3 233.308 0.125 20 0 BCADHN CO[C@](C)(CO)CN[C@@H]1CCC1(OC)OC ZINC000710987630 712272138 /nfs/dbraw/zinc/27/21/38/712272138.db2.gz IQDNVXPSEZFNOF-ZJUUUORDSA-N 0 3 233.308 0.125 20 0 BCADHN C[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H]1COC(C)(C)C1 ZINC000711665140 712318750 /nfs/dbraw/zinc/31/87/50/712318750.db2.gz SNEPQFHOKKWBRH-BBBLOLIVSA-N 0 3 247.360 0.577 20 0 BCADHN CC[C@H](N)c1cn(CCOC2CC2)nn1 ZINC000711784465 712329909 /nfs/dbraw/zinc/32/99/09/712329909.db2.gz DBQBEZBEJRSNKM-VIFPVBQESA-N 0 3 210.281 0.867 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)C[C@H]1CCCCO1 ZINC000379159484 712370240 /nfs/dbraw/zinc/37/02/40/712370240.db2.gz LMGSTFLTXDNWEW-SNVBAGLBSA-N 0 3 230.308 0.555 20 0 BCADHN CN(CCC(N)=O)C[C@@H]1CC1(Cl)Cl ZINC000379389192 712380904 /nfs/dbraw/zinc/38/09/04/712380904.db2.gz KZBPANORIWNRAN-LURJTMIESA-N 0 3 225.119 0.987 20 0 BCADHN O[C@H]1CCN(CCCOC(F)(F)F)C1 ZINC000713421452 712459861 /nfs/dbraw/zinc/45/98/61/712459861.db2.gz KTPVGGQRJREBIM-ZETCQYMHSA-N 0 3 213.199 0.980 20 0 BCADHN C[C@@H](N[C@H]1CCN(C)C1)c1cn(C)nn1 ZINC000715836624 712534567 /nfs/dbraw/zinc/53/45/67/712534567.db2.gz KPMWABDANQEYOU-BDAKNGLRSA-N 0 3 209.297 0.170 20 0 BCADHN C[C@@H](N[C@H]1CCCN(C)C1)c1cn(C)nn1 ZINC000715905787 712541870 /nfs/dbraw/zinc/54/18/70/712541870.db2.gz COQHIBUINNTRNK-ZJUUUORDSA-N 0 3 223.324 0.560 20 0 BCADHN CC[C@H](N)C(=O)N(CCOC)C1CCOCC1 ZINC000716397993 712558149 /nfs/dbraw/zinc/55/81/49/712558149.db2.gz QECDUDLCFMAADH-NSHDSACASA-N 0 3 244.335 0.378 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C1CC(C)(C)C1 ZINC000716706150 712570217 /nfs/dbraw/zinc/57/02/17/712570217.db2.gz XXEJRAVPKACBTE-SNVBAGLBSA-N 0 3 228.336 0.461 20 0 BCADHN NC1(C(=O)Nc2cnn(C(F)F)c2)CC1 ZINC000818610049 712590218 /nfs/dbraw/zinc/59/02/18/712590218.db2.gz VOVLKDJZOGWZKW-UHFFFAOYSA-N 0 3 216.191 0.708 20 0 BCADHN Cc1cc(CN[C@@H]2CCN(C)C2)nn1C ZINC000379968742 712641088 /nfs/dbraw/zinc/64/10/88/712641088.db2.gz OTGNEPNFNGLOKE-SNVBAGLBSA-N 0 3 208.309 0.522 20 0 BCADHN COC(=O)/C(C)=C\CN1CCN(C2CC2)CC1 ZINC000214726254 712642341 /nfs/dbraw/zinc/64/23/41/712642341.db2.gz BURDPRQHAAIUOB-WZUFQYTHSA-N 0 3 238.331 0.886 20 0 BCADHN COc1ccccc1CNC[C@@H](O)[C@H](C)O ZINC000717309473 712646298 /nfs/dbraw/zinc/64/62/98/712646298.db2.gz UJGPWSPRUUJHOP-GXSJLCMTSA-N 0 3 225.288 0.527 20 0 BCADHN Cn1cnc(CNC[C@@]2(C)CCOC2)c1 ZINC000380003753 712651910 /nfs/dbraw/zinc/65/19/10/712651910.db2.gz OGYBAIXLSUOKQD-LLVKDONJSA-N 0 3 209.293 0.936 20 0 BCADHN CCn1nc(C)c(CNC[C@H](O)[C@H](C)O)c1C ZINC000717361162 712652283 /nfs/dbraw/zinc/65/22/83/712652283.db2.gz SZPUJMOUCDAQOP-JQWIXIFHSA-N 0 3 241.335 0.351 20 0 BCADHN Cc1ncsc1CNC[C@H](O)[C@H](C)O ZINC000717418562 712657059 /nfs/dbraw/zinc/65/70/59/712657059.db2.gz GFGKZQGSMNDYLY-YUMQZZPRSA-N 0 3 216.306 0.283 20 0 BCADHN OC/C=C\CN[C@H]1CCCc2n[nH]cc21 ZINC000717439198 712658068 /nfs/dbraw/zinc/65/80/68/712658068.db2.gz ZRTFNBJDJAXHKO-SYBPUXJVSA-N 0 3 207.277 0.925 20 0 BCADHN C[S@](=O)CCCNCc1cnc2n1CCC2 ZINC000719113605 712798295 /nfs/dbraw/zinc/79/82/95/712798295.db2.gz LFEFDSANFCCNPL-INIZCTEOSA-N 0 3 241.360 0.688 20 0 BCADHN Cn1ncc(CN)c1C(=O)N1CCCCC1 ZINC000719255441 712801853 /nfs/dbraw/zinc/80/18/53/712801853.db2.gz DCJHIBOUSSIQHI-UHFFFAOYSA-N 0 3 222.292 0.505 20 0 BCADHN Cn1ncc(CN)c1C(=O)NCC1(C)CCC1 ZINC000719244418 712801232 /nfs/dbraw/zinc/80/12/32/712801232.db2.gz MJPLKLFUHWOKEY-UHFFFAOYSA-N 0 3 236.319 0.799 20 0 BCADHN C[C@@H](CNC(=O)c1c(CN)cnn1C)C1CC1 ZINC000719246838 712801282 /nfs/dbraw/zinc/80/12/82/712801282.db2.gz ZUJBKAQZIMURRP-QMMMGPOBSA-N 0 3 236.319 0.655 20 0 BCADHN CO[C@@]1(CNCc2cnnn2C)CCSC1 ZINC000719285859 712803557 /nfs/dbraw/zinc/80/35/57/712803557.db2.gz XPZCPKKETXPTIO-SNVBAGLBSA-N 0 3 242.348 0.427 20 0 BCADHN CC[C@H](C)CN(C)C(=O)c1c(CN)cnn1C ZINC000719282198 712803685 /nfs/dbraw/zinc/80/36/85/712803685.db2.gz VEIJKGDNKIEUOV-VIFPVBQESA-N 0 3 238.335 0.997 20 0 BCADHN CCCOCC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000719434491 712807326 /nfs/dbraw/zinc/80/73/26/712807326.db2.gz JOZUEVONJMMVPQ-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)NC(=S)N[C@H]1CCN(C)[C@@H]1C ZINC000719368193 712805998 /nfs/dbraw/zinc/80/59/98/712805998.db2.gz USVOCDCCLIZBKB-BDAKNGLRSA-N 0 3 215.366 0.952 20 0 BCADHN COCCNC(=S)N[C@@H]1CCN(C)[C@H]1C ZINC000719365076 712806142 /nfs/dbraw/zinc/80/61/42/712806142.db2.gz HYHVYGYQWHNUDJ-DTWKUNHWSA-N 0 3 231.365 0.190 20 0 BCADHN CCn1ncnc1CN[C@@H]1CCN(C)[C@@H]1C ZINC000719637446 712815044 /nfs/dbraw/zinc/81/50/44/712815044.db2.gz SIARHZBKWTUAKJ-NXEZZACHSA-N 0 3 223.324 0.480 20 0 BCADHN C[C@H]1[C@H](Nc2nccn(C)c2=O)CCN1C ZINC000719603288 712815887 /nfs/dbraw/zinc/81/58/87/712815887.db2.gz SCQYUUOSIBTHHN-DTWKUNHWSA-N 0 3 222.292 0.285 20 0 BCADHN OCC1(CO)CCN(CCc2ccns2)C1 ZINC000719879869 712825257 /nfs/dbraw/zinc/82/52/57/712825257.db2.gz PGZVDFJMBXOBOC-UHFFFAOYSA-N 0 3 242.344 0.362 20 0 BCADHN C[C@H](O)CN(CCO)CCc1ccns1 ZINC000719846312 712825812 /nfs/dbraw/zinc/82/58/12/712825812.db2.gz LQMLMAAQUZDFQJ-VIFPVBQESA-N 0 3 230.333 0.361 20 0 BCADHN Cc1ncc(CN[C@H](CO)C2CC2)cn1 ZINC000380300517 712864403 /nfs/dbraw/zinc/86/44/03/712864403.db2.gz DNGGGRKCYZWNPP-LLVKDONJSA-N 0 3 207.277 0.646 20 0 BCADHN CC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000721053388 712888934 /nfs/dbraw/zinc/88/89/34/712888934.db2.gz HVUZPBPBUPWWCN-LBPRGKRZSA-N 0 3 204.273 0.837 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N[C@H]1CCCOCC1 ZINC000381369888 710629625 /nfs/dbraw/zinc/62/96/25/710629625.db2.gz HFJXKVCNZCLSSB-QWRGUYRKSA-N 0 3 226.320 0.799 20 0 BCADHN CC[C@H](C)[C@@H](CN[C@@H]1CCS(=O)(=O)C1)OC ZINC000381441074 710636515 /nfs/dbraw/zinc/63/65/15/710636515.db2.gz YIJNQZDEOZJPGV-HBNTYKKESA-N 0 3 249.376 0.824 20 0 BCADHN CCCn1nccc1CNCCn1cncn1 ZINC000381732857 710689395 /nfs/dbraw/zinc/68/93/95/710689395.db2.gz XGXJTZCQAYSWKL-UHFFFAOYSA-N 0 3 234.307 0.674 20 0 BCADHN Cc1cc(N(C)CC2(CO)CC2)nc(N)n1 ZINC000381660779 710669141 /nfs/dbraw/zinc/66/91/41/710669141.db2.gz USTGBNSLCRASKY-UHFFFAOYSA-N 0 3 222.292 0.406 20 0 BCADHN O=C(NC[C@@H]1CCN1CC1CC1)c1ncc[nH]1 ZINC001038231575 710680452 /nfs/dbraw/zinc/68/04/52/710680452.db2.gz NMTZSPBEEMCGHQ-JTQLQIEISA-N 0 3 234.303 0.624 20 0 BCADHN Cc1nc[nH]c1C(=O)NC[C@@H]1CCN1CC1CC1 ZINC001039082032 710719265 /nfs/dbraw/zinc/71/92/65/710719265.db2.gz GHVZVXLGIMFTRF-NSHDSACASA-N 0 3 248.330 0.932 20 0 BCADHN CC[C@H](COC)NCc1cnc2n1CCOC2 ZINC000722843374 710721664 /nfs/dbraw/zinc/72/16/64/710721664.db2.gz BMPQNRVQTKLKDB-SNVBAGLBSA-N 0 3 239.319 0.928 20 0 BCADHN CN(C)CCONC(=O)c1ccnc(Cl)c1 ZINC000382095414 710775102 /nfs/dbraw/zinc/77/51/02/710775102.db2.gz MTIVRBVMKHTQLO-UHFFFAOYSA-N 0 3 243.694 0.958 20 0 BCADHN CC(C)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001042538268 710791395 /nfs/dbraw/zinc/79/13/95/710791395.db2.gz HXHTYIIWMIRJNO-GFCCVEGCSA-N 0 3 239.363 0.632 20 0 BCADHN CCN1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001044296508 710823044 /nfs/dbraw/zinc/82/30/44/710823044.db2.gz HNBWYCYADYHBNH-UHFFFAOYSA-N 0 3 225.336 0.245 20 0 BCADHN C[C@]1(NC(=O)C2CCCC2)CCN(CCO)C1 ZINC001046099132 710848423 /nfs/dbraw/zinc/84/84/23/710848423.db2.gz GVPOLXPKHGLUOH-ZDUSSCGKSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@]1(NC(=O)c2ccc[nH]2)CCN(CCO)C1 ZINC001046133847 710850429 /nfs/dbraw/zinc/85/04/29/710850429.db2.gz ALDUADLNPRXBFM-LBPRGKRZSA-N 0 3 237.303 0.201 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cocn2)C1 ZINC001046200339 710854604 /nfs/dbraw/zinc/85/46/04/710854604.db2.gz OSQMRUITAUEUGG-LLVKDONJSA-N 0 3 223.276 0.889 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001046293770 710858098 /nfs/dbraw/zinc/85/80/98/710858098.db2.gz NVLVWMOZWXKBFX-NSHDSACASA-N 0 3 237.307 0.029 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2ccnnc2)C1 ZINC001046650123 710864071 /nfs/dbraw/zinc/86/40/71/710864071.db2.gz ZROQTBASKZTGSA-LBPRGKRZSA-N 0 3 234.303 0.691 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046701083 710864547 /nfs/dbraw/zinc/86/45/47/710864547.db2.gz BMGDRMVWOXJMHK-NSHDSACASA-N 0 3 237.307 0.029 20 0 BCADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)C(C)C)C1 ZINC001047304944 710869916 /nfs/dbraw/zinc/86/99/16/710869916.db2.gz CWEVOMTYFUUOPA-QWRGUYRKSA-N 0 3 228.336 0.556 20 0 BCADHN CC(=O)N(C)[C@H]1CN(CC[C@@H](C)F)C[C@@H]1O ZINC001047271918 710870915 /nfs/dbraw/zinc/87/09/15/710870915.db2.gz SNUWEPOGUUIVPJ-MIMYLULJSA-N 0 3 232.299 0.258 20 0 BCADHN CON(C)C(=O)CN[C@@H]1CS[C@H](C)C1 ZINC000397467569 710909304 /nfs/dbraw/zinc/90/93/04/710909304.db2.gz NYLPSLOEDNWANK-SFYZADRCSA-N 0 3 218.322 0.490 20 0 BCADHN CON(C)C(=O)CN[C@H]1CS[C@H](C)C1 ZINC000397467567 710909407 /nfs/dbraw/zinc/90/94/07/710909407.db2.gz NYLPSLOEDNWANK-HTQZYQBOSA-N 0 3 218.322 0.490 20 0 BCADHN CC[C@H]1CN(c2ccncc2CO)C[C@H]1O ZINC000399998314 710912863 /nfs/dbraw/zinc/91/28/63/710912863.db2.gz ULCSNDYXGKYZPW-JOYOIKCWSA-N 0 3 222.288 0.781 20 0 BCADHN CC(=O)NCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001075243928 710913422 /nfs/dbraw/zinc/91/34/22/710913422.db2.gz PEBNQDDRZBHLEY-JTQLQIEISA-N 0 3 243.351 0.358 20 0 BCADHN CC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001054303933 710926959 /nfs/dbraw/zinc/92/69/59/710926959.db2.gz UDCUAAUSFDWLIE-GMSGAONNSA-N 0 3 237.307 0.070 20 0 BCADHN CSCC(=O)N1C[C@@H](C)[C@H](NCCF)C1 ZINC001054367211 710931724 /nfs/dbraw/zinc/93/17/24/710931724.db2.gz UBHSDFSNASLENO-RKDXNWHRSA-N 0 3 234.340 0.755 20 0 BCADHN C[C@H]1CN(C(=O)c2cocn2)C[C@H]1NCCF ZINC001054474359 710935956 /nfs/dbraw/zinc/93/59/56/710935956.db2.gz UBAJDTIBVHLKLJ-DTWKUNHWSA-N 0 3 241.266 0.694 20 0 BCADHN C[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1NCCF ZINC001054474357 710936004 /nfs/dbraw/zinc/93/60/04/710936004.db2.gz UBAJDTIBVHLKLJ-BDAKNGLRSA-N 0 3 241.266 0.694 20 0 BCADHN C[C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1NCCF ZINC001054605716 710939418 /nfs/dbraw/zinc/93/94/18/710939418.db2.gz ICMXBNAIFGZYOJ-VHSXEESVSA-N 0 3 246.326 0.553 20 0 BCADHN C[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1NCCF ZINC001054946935 710942634 /nfs/dbraw/zinc/94/26/34/710942634.db2.gz TXTREMVGPYWVMT-BDAKNGLRSA-N 0 3 241.266 0.694 20 0 BCADHN Cc1cc(C)nc(N2CCN3CC[C@H]2C3)n1 ZINC000383411724 710981912 /nfs/dbraw/zinc/98/19/12/710981912.db2.gz GRQRMUWLSUOPNR-NSHDSACASA-N 0 3 218.304 0.988 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000384877310 710999795 /nfs/dbraw/zinc/99/97/95/710999795.db2.gz JFZSVGTUBRXAEJ-QCLAVDOMSA-N 0 3 230.308 0.032 20 0 BCADHN CN(C)CCONC(=O)c1cnn2ccccc12 ZINC000386068417 711021547 /nfs/dbraw/zinc/02/15/47/711021547.db2.gz LCVWNXBXQCRUOT-UHFFFAOYSA-N 0 3 248.286 0.557 20 0 BCADHN CN1CCC[C@@H]1CSc1nc(N)cc(N)n1 ZINC000386677218 711034995 /nfs/dbraw/zinc/03/49/95/711034995.db2.gz WLUAGOKDDRXGIU-SSDOTTSWSA-N 0 3 239.348 0.658 20 0 BCADHN CC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1n1ccnn1 ZINC001069886107 711077581 /nfs/dbraw/zinc/07/75/81/711077581.db2.gz MHGSPUMIUDBTQD-MNOVXSKESA-N 0 3 237.307 0.048 20 0 BCADHN CC[C@H](CCO)CNCc1cn(C)cn1 ZINC000389603541 711081304 /nfs/dbraw/zinc/08/13/04/711081304.db2.gz WMKFIZFGBKBETH-SNVBAGLBSA-N 0 3 211.309 0.918 20 0 BCADHN CN(C)C[C@@H](CO)Nc1cncc(Cl)n1 ZINC000389846609 711091869 /nfs/dbraw/zinc/09/18/69/711091869.db2.gz ONAYOBUEZYGPMY-ZETCQYMHSA-N 0 3 230.699 0.464 20 0 BCADHN CO[C@@H](CN[C@@H](C)CC(N)=O)C(F)(F)F ZINC000389873810 711095249 /nfs/dbraw/zinc/09/52/49/711095249.db2.gz KNLDVVMNRWJMBR-WDSKDSINSA-N 0 3 228.214 0.417 20 0 BCADHN Cc1cc(NC[C@@H](CO)C(C)C)nc(N)n1 ZINC000390369976 711114065 /nfs/dbraw/zinc/11/40/65/711114065.db2.gz VKAIBDMDTMIGFD-VIFPVBQESA-N 0 3 224.308 0.296 20 0 BCADHN Cc1cc(N[C@@H](CO)CC(F)F)nc(N)n1 ZINC000390380566 711114860 /nfs/dbraw/zinc/11/48/60/711114860.db2.gz ZHSORYPGNSLORB-ZCFIWIBFSA-N 0 3 232.234 0.047 20 0 BCADHN Cc1nc(F)ccc1CN[C@@H](C)CC(N)=O ZINC000390515406 711123148 /nfs/dbraw/zinc/12/31/48/711123148.db2.gz CSVVFHALCWHCCO-ZETCQYMHSA-N 0 3 225.267 0.883 20 0 BCADHN Cc1nc([C@H](C)N[C@@H]2CCO[C@H]2C)n[nH]1 ZINC000392385893 711144351 /nfs/dbraw/zinc/14/43/51/711144351.db2.gz QAFKRFVPFMPWHB-ACLDMZEESA-N 0 3 210.281 0.941 20 0 BCADHN O=C1CC[C@@H](CNCc2ccc(F)nc2)N1 ZINC000390817670 711135995 /nfs/dbraw/zinc/13/59/95/711135995.db2.gz OVHJQIJENDCADT-VIFPVBQESA-N 0 3 223.251 0.589 20 0 BCADHN Cc1cc(NCC(C)(C)C[C@@H](C)O)nc(N)n1 ZINC000393587595 711164537 /nfs/dbraw/zinc/16/45/37/711164537.db2.gz LOAOZAJMGOFLHM-SECBINFHSA-N 0 3 238.335 0.828 20 0 BCADHN Cc1c[nH]nc1CN[C@](C)(CO)C1CC1 ZINC000393609458 711165378 /nfs/dbraw/zinc/16/53/78/711165378.db2.gz LZASSMUFFXBIMC-LLVKDONJSA-N 0 3 209.293 0.969 20 0 BCADHN COC(=O)C(C)(C)NCCN1CCCC1 ZINC000393610638 711165789 /nfs/dbraw/zinc/16/57/89/711165789.db2.gz AWTYDRQOEDCKKB-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CCS(=O)(=O)CCN[C@@H](CO)C(C)(C)C ZINC000393984210 711181343 /nfs/dbraw/zinc/18/13/43/711181343.db2.gz AOUVHORABLFMJE-VIFPVBQESA-N 0 3 237.365 0.418 20 0 BCADHN CN(C)CCONC(=O)C1CC(F)(F)C1 ZINC000394789254 711198021 /nfs/dbraw/zinc/19/80/21/711198021.db2.gz MESAXQDHPXECRH-UHFFFAOYSA-N 0 3 222.235 0.641 20 0 BCADHN CCN1C[C@@H](NC(=O)c2cnon2)CC[C@H]1C ZINC001071916755 711209537 /nfs/dbraw/zinc/20/95/37/711209537.db2.gz QOOCTFQIOSIIAT-BDAKNGLRSA-N 0 3 238.291 0.672 20 0 BCADHN Cc1nc(CNC[C@H]2CNC(=O)C2)sc1C ZINC000398326747 711408645 /nfs/dbraw/zinc/40/86/45/711408645.db2.gz CNSGSBWOZBCETM-VIFPVBQESA-N 0 3 239.344 0.986 20 0 BCADHN CCOC(=O)/C=C/CN1CC[C@H](C(=O)NC)C1 ZINC000398534156 711411059 /nfs/dbraw/zinc/41/10/59/711411059.db2.gz CKLWYQKUVRRWND-YEZKRMTDSA-N 0 3 240.303 0.174 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)[C@@H](N)CC1CC1 ZINC000398636488 711413220 /nfs/dbraw/zinc/41/32/20/711413220.db2.gz QOKSXHCFSOTBSJ-QXEWZRGKSA-N 0 3 228.336 0.637 20 0 BCADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000399019533 711419405 /nfs/dbraw/zinc/41/94/05/711419405.db2.gz GWDJHKBPXUDFGI-CBAPKCEASA-N 0 3 228.292 0.182 20 0 BCADHN COC[C@@H](C)N1CCCO[C@@H](CNC(C)=O)C1 ZINC001073506668 711439644 /nfs/dbraw/zinc/43/96/44/711439644.db2.gz XBPVJKYCXFLTNQ-PWSUYJOCSA-N 0 3 244.335 0.248 20 0 BCADHN CCN1CCC[C@@H]1CNCc1cnn(C)n1 ZINC000380987847 710597700 /nfs/dbraw/zinc/59/77/00/710597700.db2.gz DKSLIUNTMYYRNA-LLVKDONJSA-N 0 3 223.324 0.389 20 0 BCADHN CCN1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001014829241 710613742 /nfs/dbraw/zinc/61/37/42/710613742.db2.gz NPPOYRZBVOQJDC-VIFPVBQESA-N 0 3 236.275 0.006 20 0 BCADHN CCNC(=O)CNC[C@@H](OC)[C@@H](C)CC ZINC000381271082 710614505 /nfs/dbraw/zinc/61/45/05/710614505.db2.gz HUMLKCYDCHQYJK-VHSXEESVSA-N 0 3 216.325 0.773 20 0 BCADHN C/C=C(/C)C(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001018692153 710667342 /nfs/dbraw/zinc/66/73/42/710667342.db2.gz DANNWKALMUJTFJ-BBYBGLFNSA-N 0 3 239.319 0.017 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cncnc2C)C1 ZINC001046169781 710852520 /nfs/dbraw/zinc/85/25/20/710852520.db2.gz VUKWHTATASCFSO-ZDUSSCGKSA-N 0 3 248.330 0.999 20 0 BCADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)CC2CCC2)C1 ZINC001047333486 710871363 /nfs/dbraw/zinc/87/13/63/710871363.db2.gz GJWYNBWQGXRQKG-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN COCC(COC)N1CCC(C(C)=O)CC1 ZINC000385051799 711004351 /nfs/dbraw/zinc/00/43/51/711004351.db2.gz QXVSYHLJZQYRNM-UHFFFAOYSA-N 0 3 229.320 0.949 20 0 BCADHN CCN(CC(F)F)C(=O)[C@@H](N)CCOC ZINC000386547055 711032922 /nfs/dbraw/zinc/03/29/22/711032922.db2.gz KZDDMARUHLJIOI-ZETCQYMHSA-N 0 3 224.251 0.464 20 0 BCADHN CON(C)C(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000389975822 711102099 /nfs/dbraw/zinc/10/20/99/711102099.db2.gz FLXMEULTZRLICJ-RKDXNWHRSA-N 0 3 216.281 0.163 20 0 BCADHN Cc1nc([C@H](C)N[C@H]2CCCOC2)n[nH]1 ZINC000392375710 711145011 /nfs/dbraw/zinc/14/50/11/711145011.db2.gz INZSJCIUHOJLBW-CBAPKCEASA-N 0 3 210.281 0.943 20 0 BCADHN CO[C@@H](C)[C@@H](C)NCC(=O)N(C)OC ZINC000397469922 711382525 /nfs/dbraw/zinc/38/25/25/711382525.db2.gz UTSUXKZTJDNIAE-SFYZADRCSA-N 0 3 204.270 0.019 20 0 BCADHN CON(C)C(=O)CN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000397545057 711386567 /nfs/dbraw/zinc/38/65/67/711386567.db2.gz YEAAIRXOWWYHDH-DJLDLDEBSA-N 0 3 216.281 0.162 20 0 BCADHN CC[C@H](CN1CCC2(C1)OCCO2)OC ZINC000396973302 711373752 /nfs/dbraw/zinc/37/37/52/711373752.db2.gz HZDBCYMHNOHLHD-SNVBAGLBSA-N 0 3 215.293 0.860 20 0 BCADHN CON(C)C(=O)CNC[C@@H]1CCC=CO1 ZINC000397520672 711382818 /nfs/dbraw/zinc/38/28/18/711382818.db2.gz DLRWOBQWVWNMFI-VIFPVBQESA-N 0 3 214.265 0.289 20 0 BCADHN CO[C@H]1C[C@H](NCC(=O)N(C)OC)C12CCC2 ZINC000397551146 711386848 /nfs/dbraw/zinc/38/68/48/711386848.db2.gz YPZLPJFUEDWHNC-UWVGGRQHSA-N 0 3 242.319 0.553 20 0 BCADHN Cc1cc(NCC[C@@H](C)CCO)nc(N)n1 ZINC000397797256 711392226 /nfs/dbraw/zinc/39/22/26/711392226.db2.gz DBZHZLPKEVRTEB-MRVPVSSYSA-N 0 3 224.308 0.440 20 0 BCADHN C[C@@H](NC(=O)[C@H](N)CC1CC1)c1ncon1 ZINC000397883239 711394754 /nfs/dbraw/zinc/39/47/54/711394754.db2.gz NYUZVOGLZMEURL-HTRCEHHLSA-N 0 3 224.264 0.374 20 0 BCADHN CCN1CCCO[C@H](CNC(=O)C2CC2)C1 ZINC001073513258 711439682 /nfs/dbraw/zinc/43/96/82/711439682.db2.gz YBSZTBCXDQHLMR-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H]1[C@@H](NCCF)CCN1C(=O)[C@@H]1CCCO1 ZINC001074514971 711442670 /nfs/dbraw/zinc/44/26/70/711442670.db2.gz HKFOWTSYCPVUBS-DCAQKATOSA-N 0 3 244.310 0.714 20 0 BCADHN CCS(=O)(=O)CCNC[C@@H]1CCCO1 ZINC000037370969 711467039 /nfs/dbraw/zinc/46/70/39/711467039.db2.gz ZYLHQHZHYQQFGW-VIFPVBQESA-N 0 3 221.322 0.190 20 0 BCADHN Cn1nccc1CN[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000965985437 711471205 /nfs/dbraw/zinc/47/12/05/711471205.db2.gz JKULWIMJLOWMCU-LLVKDONJSA-N 0 3 248.330 0.521 20 0 BCADHN Cn1cc(CN[C@@H]2CCN(C(=O)C3CC3)C2)cn1 ZINC000965985641 711471273 /nfs/dbraw/zinc/47/12/73/711471273.db2.gz NOQMZRZPICNULM-GFCCVEGCSA-N 0 3 248.330 0.521 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000037027616 711479889 /nfs/dbraw/zinc/47/98/89/711479889.db2.gz WGXWYLQWKGDSAK-SNVBAGLBSA-N 0 3 245.286 0.943 20 0 BCADHN CCOCCN[C@@H]1C(=O)NCC1(CC)CC ZINC000933286897 711510995 /nfs/dbraw/zinc/51/09/95/711510995.db2.gz RQNHSOGXUABSQX-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN CCOC(=O)/C=C\CN(C)C[C@H](C)O ZINC000308320296 711522174 /nfs/dbraw/zinc/52/21/74/711522174.db2.gz NNUZCQRIWTVYTG-UDIARPCQSA-N 0 3 201.266 0.418 20 0 BCADHN Cc1nn(C)cc1CN[C@@H]1CC12CC(O)C2 ZINC000724950774 711633149 /nfs/dbraw/zinc/63/31/49/711633149.db2.gz CSHQOMZTXXDEJX-MOENNCHZSA-N 0 3 221.304 0.732 20 0 BCADHN CC[C@@H](N)c1cn(CCO[C@H]2CCOC2)nn1 ZINC000724948677 711633166 /nfs/dbraw/zinc/63/31/66/711633166.db2.gz FELSNYNIBXVWKF-VHSXEESVSA-N 0 3 240.307 0.493 20 0 BCADHN Cc1cc(N(C)[C@@H](C)C[S@](C)=O)nc(N)n1 ZINC000309240074 711669098 /nfs/dbraw/zinc/66/90/98/711669098.db2.gz ALGYIAZQPXCJEG-PWJLMRLQSA-N 0 3 242.348 0.570 20 0 BCADHN CCN1C[C@@H]2CCN(C(=O)c3cnccn3)[C@@H]2C1 ZINC001075506740 711673272 /nfs/dbraw/zinc/67/32/72/711673272.db2.gz YGDOAWDDYKMXFS-CMPLNLGQSA-N 0 3 246.314 0.643 20 0 BCADHN Cc1cc(N2C[C@H]3C[C@@]3(CO)C2)nc(N)n1 ZINC000309308165 711673638 /nfs/dbraw/zinc/67/36/38/711673638.db2.gz WGGRRTJIRSPRRK-KCJUWKMLSA-N 0 3 220.276 0.186 20 0 BCADHN COC[C@@H](C)NC(=S)N[C@@H]1CCCN(C)C1 ZINC000136150036 711687928 /nfs/dbraw/zinc/68/79/28/711687928.db2.gz RRQMVBVZDCTFOX-NXEZZACHSA-N 0 3 245.392 0.580 20 0 BCADHN S=C(NC1CC1)N[C@H]1CCN(C2CC2)C1 ZINC000136263122 711693447 /nfs/dbraw/zinc/69/34/47/711693447.db2.gz VBRPFKYYGAIHCM-VIFPVBQESA-N 0 3 225.361 0.850 20 0 BCADHN CC(=O)CCN1CCC2(CC1)OCCO2 ZINC000125015471 711714496 /nfs/dbraw/zinc/71/44/96/711714496.db2.gz JLAUOWMBYHSSAD-UHFFFAOYSA-N 0 3 213.277 0.804 20 0 BCADHN O=C(NC[C@@H]1CCCN1CCO)C1CCCC1 ZINC001027721093 711733323 /nfs/dbraw/zinc/73/33/23/711733323.db2.gz XMHBPPBYNUDSOI-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN CCN1C[C@@H]2CCN(C(=O)c3ccon3)[C@@H]2C1 ZINC001075585094 711740387 /nfs/dbraw/zinc/74/03/87/711740387.db2.gz PTEANGZGAIFCIE-GXSJLCMTSA-N 0 3 235.287 0.841 20 0 BCADHN CC(C)=CCN1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001038841763 711750500 /nfs/dbraw/zinc/75/05/00/711750500.db2.gz ORSVLENPQZMNRX-JTQLQIEISA-N 0 3 249.318 0.575 20 0 BCADHN CC(C)=CCN1CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001038841763 711750502 /nfs/dbraw/zinc/75/05/02/711750502.db2.gz ORSVLENPQZMNRX-JTQLQIEISA-N 0 3 249.318 0.575 20 0 BCADHN C[C@@H](O)CN1CCCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000981771114 711755952 /nfs/dbraw/zinc/75/59/52/711755952.db2.gz BIBSGFYHQPTDQT-TUAOUCFPSA-N 0 3 240.347 0.558 20 0 BCADHN Cn1c(CNC[C@H]2COCO2)cnc1Cl ZINC000894884705 711774262 /nfs/dbraw/zinc/77/42/62/711774262.db2.gz JBOHWHIIUNUBDD-QMMMGPOBSA-N 0 3 231.683 0.536 20 0 BCADHN CC(C)CNC(=O)CN1CC[C@H](C(C)(C)O)C1 ZINC000721836007 711779670 /nfs/dbraw/zinc/77/96/70/711779670.db2.gz HOUNHGFXASTTKP-NSHDSACASA-N 0 3 242.363 0.851 20 0 BCADHN Cc1cc(N)nc(NCC[C@H](O)C2CC2)n1 ZINC000897383663 711788843 /nfs/dbraw/zinc/78/88/43/711788843.db2.gz CZJYNXAFAPOGFX-VIFPVBQESA-N 0 3 222.292 0.940 20 0 BCADHN CN1CCN(C)CCN(Cc2ccccn2)CC1 ZINC000138538577 711799592 /nfs/dbraw/zinc/79/95/92/711799592.db2.gz JBYULJOTDPSWPD-UHFFFAOYSA-N 0 3 248.374 0.761 20 0 BCADHN CCCN1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001076676276 711807694 /nfs/dbraw/zinc/80/76/94/711807694.db2.gz OZEHWFICGIMZEB-GHMZBOCLSA-N 0 3 226.320 0.358 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC[C@@H](O)CC(C)C ZINC000160407654 711808222 /nfs/dbraw/zinc/80/82/22/711808222.db2.gz BCNZGQACBMYTBV-QWRGUYRKSA-N 0 3 230.352 0.883 20 0 BCADHN CCCN1C[C@@H](O)[C@H](NC(=O)C2CC=CC2)C1 ZINC001076828406 711809522 /nfs/dbraw/zinc/80/95/22/711809522.db2.gz CIOIMLHPWGFVQA-VXGBXAGGSA-N 0 3 238.331 0.524 20 0 BCADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001076850923 711809518 /nfs/dbraw/zinc/80/95/18/711809518.db2.gz DGFNWXLZOUTLKG-YUSALJHKSA-N 0 3 240.347 0.602 20 0 BCADHN C[C@H]1NC(=O)N([C@H]2C[C@@H](C)N(C3CC3)C2)C1=O ZINC000348957274 711821562 /nfs/dbraw/zinc/82/15/62/711821562.db2.gz JGANBTCYGRJDKB-MRTMQBJTSA-N 0 3 237.303 0.552 20 0 BCADHN C[C@@H]1C[C@@H](N2C(=O)N[C@@H](C)C2=O)CN1C1CC1 ZINC000348957273 711821565 /nfs/dbraw/zinc/82/15/65/711821565.db2.gz JGANBTCYGRJDKB-KHQFGBGNSA-N 0 3 237.303 0.552 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NC[C@H](O)CC(C)C ZINC000226121641 711830333 /nfs/dbraw/zinc/83/03/33/711830333.db2.gz BCNZGQACBMYTBV-GHMZBOCLSA-N 0 3 230.352 0.883 20 0 BCADHN COC1(C)CN(c2ccncc2CO)C1 ZINC000382943813 711834668 /nfs/dbraw/zinc/83/46/68/711834668.db2.gz ZMEOKFMXICFQOL-UHFFFAOYSA-N 0 3 208.261 0.799 20 0 BCADHN Cc1cc(N[C@H](C)CCCO)nc(N)n1 ZINC000087416327 711835321 /nfs/dbraw/zinc/83/53/21/711835321.db2.gz GTGWMCZFTHGHAO-SSDOTTSWSA-N 0 3 210.281 0.940 20 0 BCADHN CCS(=O)(=O)CCNC[C@H]1CCC[C@H](C)O1 ZINC000701492569 711860962 /nfs/dbraw/zinc/86/09/62/711860962.db2.gz GKUSRGMSSYZFJF-WDEREUQCSA-N 0 3 249.376 0.968 20 0 BCADHN CCC(=O)N[C@@H]1CCCN(CCO)[C@@H]1C ZINC000992930313 711861928 /nfs/dbraw/zinc/86/19/28/711861928.db2.gz XSCKJBHXLNAJRO-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN Cc1c(CC(=O)N2CCN3CC[C@H]2C3)cnn1C ZINC000615571362 711884841 /nfs/dbraw/zinc/88/48/41/711884841.db2.gz GIRIKURXJBUAMR-LBPRGKRZSA-N 0 3 248.330 0.188 20 0 BCADHN O=C(NC[C@H]1CCN1CC1CC1)c1ccn[nH]1 ZINC001038072558 711885740 /nfs/dbraw/zinc/88/57/40/711885740.db2.gz QEKMKDIAOXNSCE-SNVBAGLBSA-N 0 3 234.303 0.624 20 0 BCADHN NC1(C(=O)N2CCC(c3cn[nH]c3)CC2)CC1 ZINC000353670132 711893100 /nfs/dbraw/zinc/89/31/00/711893100.db2.gz YSEDOBJQRPFWEM-UHFFFAOYSA-N 0 3 234.303 0.607 20 0 BCADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001077732196 711915304 /nfs/dbraw/zinc/91/53/04/711915304.db2.gz ZSBWAEBGVODQCJ-HBNTYKKESA-N 0 3 238.331 0.356 20 0 BCADHN CCn1c(CNC(=O)CN)nc2ccccc21 ZINC000083908937 711921263 /nfs/dbraw/zinc/92/12/63/711921263.db2.gz XJUHVSIKTJIBCJ-UHFFFAOYSA-N 0 3 232.287 0.631 20 0 BCADHN CC(C)CN1CC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001038077600 711930116 /nfs/dbraw/zinc/93/01/16/711930116.db2.gz PBENUQJWYHSZIU-SNVBAGLBSA-N 0 3 236.319 0.870 20 0 BCADHN CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc[nH]1 ZINC001032724322 711933804 /nfs/dbraw/zinc/93/38/04/711933804.db2.gz PSHZGYVEONRZQM-UWVGGRQHSA-N 0 3 249.318 0.042 20 0 BCADHN CC(C)N1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC000070876112 711940899 /nfs/dbraw/zinc/94/08/99/711940899.db2.gz QHERNSFNVZCSBO-GFCCVEGCSA-N 0 3 249.314 0.533 20 0 BCADHN CC(=O)N1C[C@H](NCc2cnc(C)nc2)[C@@H](C)C1 ZINC001054303864 711946293 /nfs/dbraw/zinc/94/62/93/711946293.db2.gz SNZQWJKQKWYDBO-ZANVPECISA-N 0 3 248.330 0.741 20 0 BCADHN Cn1nc2c(c1CN[C@@H]1C=C[C@H](CO)C1)CCC2 ZINC000921857004 711947131 /nfs/dbraw/zinc/94/71/31/711947131.db2.gz ZYTNZZBNDNWQIE-WDEREUQCSA-N 0 3 247.342 0.935 20 0 BCADHN CONC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000922042531 711954317 /nfs/dbraw/zinc/95/43/17/711954317.db2.gz PLCRGQUWPJCCOV-SNVBAGLBSA-N 0 3 243.307 0.100 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2cnccn2)C1 ZINC001032876784 711965773 /nfs/dbraw/zinc/96/57/73/711965773.db2.gz QNJWVHWHVYBRQD-SNVBAGLBSA-N 0 3 234.303 0.643 20 0 BCADHN C[C@H](CCNCc1c[nH]cn1)[S@](C)=O ZINC000132599337 711972712 /nfs/dbraw/zinc/97/27/12/711972712.db2.gz QTHZVCLNTMWFAU-XLKFXECMSA-N 0 3 215.322 0.656 20 0 BCADHN C[C@H](CCNCc1cnc[nH]1)[S@](C)=O ZINC000132599337 711972713 /nfs/dbraw/zinc/97/27/13/711972713.db2.gz QTHZVCLNTMWFAU-XLKFXECMSA-N 0 3 215.322 0.656 20 0 BCADHN CN(C(=O)c1cc[nH]c1)[C@H]1CCN(CCO)C1 ZINC001033099505 711975350 /nfs/dbraw/zinc/97/53/50/711975350.db2.gz JZXIZEXNLYLHOT-NSHDSACASA-N 0 3 237.303 0.153 20 0 BCADHN O=C(NC[C@@H]1CCN1CC1CC1)[C@@H]1CCOC1 ZINC001038093577 711978547 /nfs/dbraw/zinc/97/85/47/711978547.db2.gz AAVWFVKPRDZTCQ-NEPJUHHUSA-N 0 3 238.331 0.623 20 0 BCADHN COc1cncc(CNCCn2cncn2)c1 ZINC000700057874 711984891 /nfs/dbraw/zinc/98/48/91/711984891.db2.gz QZVFZRSFRINFJC-UHFFFAOYSA-N 0 3 233.275 0.472 20 0 BCADHN CO[C@@H](CN)C(=O)NC1CC2(CCC2)C1 ZINC000700113400 711986316 /nfs/dbraw/zinc/98/63/16/711986316.db2.gz IASDTZDJQMJHNL-VIFPVBQESA-N 0 3 212.293 0.409 20 0 BCADHN COc1cncc(CNC(C)(C)CO)c1 ZINC000700117874 711986956 /nfs/dbraw/zinc/98/69/56/711986956.db2.gz XRBGYLSOLAWVPD-UHFFFAOYSA-N 0 3 210.277 0.951 20 0 BCADHN CN(C(=O)[C@H]1CC12CC2)[C@@H]1CCN(CCO)C1 ZINC001033456650 711991993 /nfs/dbraw/zinc/99/19/93/711991993.db2.gz PDFYMKKXWJSTGZ-GHMZBOCLSA-N 0 3 238.331 0.312 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2ccncn2)C1 ZINC001033517409 711999617 /nfs/dbraw/zinc/99/96/17/711999617.db2.gz FOGWIMJTBUYIMV-JTQLQIEISA-N 0 3 234.303 0.643 20 0 BCADHN CN(C(=O)C(C)(C)C)[C@H]1CCN(CCCO)C1 ZINC001033609517 712008276 /nfs/dbraw/zinc/00/82/76/712008276.db2.gz LEEZLBYHOFBXEW-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC001033657307 712010523 /nfs/dbraw/zinc/01/05/23/712010523.db2.gz SNWRFWRPFLUEQK-JTQLQIEISA-N 0 3 236.319 0.586 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2ccnc(C)n2)C1 ZINC001033672472 712011176 /nfs/dbraw/zinc/01/11/76/712011176.db2.gz XOGUPLHLJYATKL-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN CCN(C(=O)C1CC1)[C@H]1CCN(CCCO)C1 ZINC001033722834 712014325 /nfs/dbraw/zinc/01/43/25/712014325.db2.gz PVJWXRROUZKWAM-LBPRGKRZSA-N 0 3 240.347 0.702 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000701105400 712015574 /nfs/dbraw/zinc/01/55/74/712015574.db2.gz HZGXXTZFWKWGKA-NMUGVGKYSA-N 0 3 244.335 0.278 20 0 BCADHN CCN(C(C)=O)[C@H]1CCN(CCOC)C1 ZINC001033713110 712015652 /nfs/dbraw/zinc/01/56/52/712015652.db2.gz CONZYQLBAURMDG-NSHDSACASA-N 0 3 214.309 0.576 20 0 BCADHN CCN(C(=O)C1CC1)[C@H]1CCN(CCO)C1 ZINC001033723901 712015987 /nfs/dbraw/zinc/01/59/87/712015987.db2.gz WUVQYVAKRURQQY-NSHDSACASA-N 0 3 226.320 0.312 20 0 BCADHN OCCN(CCO)CCOC1CCCCC1 ZINC000701302457 712019716 /nfs/dbraw/zinc/01/97/16/712019716.db2.gz DRCSRIJPFIGOCP-UHFFFAOYSA-N 0 3 231.336 0.622 20 0 BCADHN C[S@@](=O)CCN1CC(C)(C)CC[C@@H]1CO ZINC000701641757 712025628 /nfs/dbraw/zinc/02/56/28/712025628.db2.gz GDJLFBYATSLGDO-MEBBXXQBSA-N 0 3 233.377 0.848 20 0 BCADHN CCN(C(=O)c1cnon1)[C@H]1CCN(CC)C1 ZINC001033995840 712032582 /nfs/dbraw/zinc/03/25/82/712032582.db2.gz KXXJQFFRNFZPAG-VIFPVBQESA-N 0 3 238.291 0.626 20 0 BCADHN CO[C@@H](CN)C(=O)NCC[C@H]1CC1(F)F ZINC000701959179 712033220 /nfs/dbraw/zinc/03/32/20/712033220.db2.gz QVIDFHOLCVTLPE-BQBZGAKWSA-N 0 3 222.235 0.122 20 0 BCADHN CCC(=O)N[C@H]1CCCCN(CCO)C1 ZINC001034061086 712037239 /nfs/dbraw/zinc/03/72/39/712037239.db2.gz MKIXDHSEFGUFTL-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN C[C@@H](NCC(=O)N1CCOCC1)C1(Cl)CC1 ZINC000702261228 712042718 /nfs/dbraw/zinc/04/27/18/712042718.db2.gz BHSXIJILICVFPN-SECBINFHSA-N 0 3 246.738 0.595 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCSC(C)(C)C ZINC000702349154 712045978 /nfs/dbraw/zinc/04/59/78/712045978.db2.gz FXFSEZKMLPIOSP-VIFPVBQESA-N 0 3 247.408 0.523 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCc1ncccn1 ZINC000702330284 712047278 /nfs/dbraw/zinc/04/72/78/712047278.db2.gz KRWIJUVGKJQTFW-VIFPVBQESA-N 0 3 220.276 0.220 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@@H]1CC=CCC1 ZINC000702368435 712048442 /nfs/dbraw/zinc/04/84/42/712048442.db2.gz BBDVOHFCWOSLCI-ZJUUUORDSA-N 0 3 211.309 0.100 20 0 BCADHN NC1(C(=O)NCc2ncccn2)CC2(CCC2)C1 ZINC000702385764 712049387 /nfs/dbraw/zinc/04/93/87/712049387.db2.gz DRZAISYCLHDGAE-UHFFFAOYSA-N 0 3 246.314 0.754 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000702384537 712049647 /nfs/dbraw/zinc/04/96/47/712049647.db2.gz JQGGHEMZTWMAMZ-SRVKXCTJSA-N 0 3 239.363 0.666 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702392648 712050077 /nfs/dbraw/zinc/05/00/77/712050077.db2.gz VNZGGTQVENMTFC-UTUOFQBUSA-N 0 3 241.379 0.912 20 0 BCADHN COc1ccccc1NC(=O)[C@@H](N)CN(C)C ZINC000702400812 712050656 /nfs/dbraw/zinc/05/06/56/712050656.db2.gz IKCORPPKZCIWHG-VIFPVBQESA-N 0 3 237.303 0.523 20 0 BCADHN CS[C@@H]1CC[C@H]1NCCS(C)(=O)=O ZINC000702407609 712050783 /nfs/dbraw/zinc/05/07/83/712050783.db2.gz TXVBYWHPAHCZBC-HTQZYQBOSA-N 0 3 223.363 0.515 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)CN(C)C)c1ccccn1 ZINC000702402552 712050967 /nfs/dbraw/zinc/05/09/67/712050967.db2.gz STSIHKYDRXPJHZ-UWVGGRQHSA-N 0 3 236.319 0.148 20 0 BCADHN CCC(C)(C)[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702402435 712051090 /nfs/dbraw/zinc/05/10/90/712051090.db2.gz SBOPZFZUZAUEKD-UWVGGRQHSA-N 0 3 229.368 0.816 20 0 BCADHN COc1cccc(NC(=O)[C@@H](N)CN(C)C)c1 ZINC000702400785 712051095 /nfs/dbraw/zinc/05/10/95/712051095.db2.gz IAJLOCCKFLHQNO-NSHDSACASA-N 0 3 237.303 0.523 20 0 BCADHN C[C@H](N[C@@H]1CCC(=O)N(C)C1=O)C1(Cl)CC1 ZINC000702412576 712051869 /nfs/dbraw/zinc/05/18/69/712051869.db2.gz DXVLLPISOFZJPC-JGVFFNPUSA-N 0 3 244.722 0.883 20 0 BCADHN CCOC[C@@H](NC(=O)[C@@H](N)CN(C)C)C(C)C ZINC000702415595 712051893 /nfs/dbraw/zinc/05/18/93/712051893.db2.gz CHQFRQIPODMNLP-WDEREUQCSA-N 0 3 245.367 0.053 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000702427188 712052253 /nfs/dbraw/zinc/05/22/53/712052253.db2.gz FETLVQDDRYXTBF-AVGNSLFASA-N 0 3 247.342 0.548 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCCC(C)(C)C ZINC000702428711 712052510 /nfs/dbraw/zinc/05/25/10/712052510.db2.gz IIEUBPXQKZJPNA-JTQLQIEISA-N 0 3 229.368 0.818 20 0 BCADHN CCCCOCCCNC(=O)[C@@H](N)CN(C)C ZINC000702433070 712052988 /nfs/dbraw/zinc/05/29/88/712052988.db2.gz ZGZOWYUOGNMEAU-NSHDSACASA-N 0 3 245.367 0.198 20 0 BCADHN OC1CC(CCNCc2cnccn2)C1 ZINC000702450351 712053902 /nfs/dbraw/zinc/05/39/02/712053902.db2.gz NGPGZRYXLJLOJS-UHFFFAOYSA-N 0 3 207.277 0.727 20 0 BCADHN CO[C@@](C)(CO)CNCc1ccc(C)nc1 ZINC000702528373 712054243 /nfs/dbraw/zinc/05/42/43/712054243.db2.gz NJQIGAVKSSPGJO-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN COc1cncc(CNC[C@@](C)(CO)OC)c1 ZINC000702530960 712054573 /nfs/dbraw/zinc/05/45/73/712054573.db2.gz BJGMAIFNADQAHN-LBPRGKRZSA-N 0 3 240.303 0.577 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCCN(CCO)C1 ZINC001034343515 712060395 /nfs/dbraw/zinc/06/03/95/712060395.db2.gz TVBGGMMFGMJOIB-GRYCIOLGSA-N 0 3 240.347 0.605 20 0 BCADHN Cc1cc(N(C)CC2(C)COC2)nc(N)n1 ZINC000702954262 712062180 /nfs/dbraw/zinc/06/21/80/712062180.db2.gz KTILXDMOXDQEIF-UHFFFAOYSA-N 0 3 222.292 0.840 20 0 BCADHN COC(CN(C)CC1(C)COC1)OC ZINC000703004772 712063906 /nfs/dbraw/zinc/06/39/06/712063906.db2.gz BPJNBEDFAJZWBU-UHFFFAOYSA-N 0 3 203.282 0.574 20 0 BCADHN CN(C)CCN(C)C(=O)c1nccnc1Cl ZINC000703328375 712070556 /nfs/dbraw/zinc/07/05/56/712070556.db2.gz CWSPRASXKODTNJ-UHFFFAOYSA-N 0 3 242.710 0.764 20 0 BCADHN CC(=O)N1CCC[C@@H]1CNCc1cncn1C ZINC001034833631 712094885 /nfs/dbraw/zinc/09/48/85/712094885.db2.gz RXKUOFAOOMEGAA-LLVKDONJSA-N 0 3 236.319 0.521 20 0 BCADHN Nc1ccc(CN2CC[C@@H]3COC[C@H]3C2)nn1 ZINC000703928321 712095091 /nfs/dbraw/zinc/09/50/91/712095091.db2.gz ZRBYRAGFLXBTMM-NXEZZACHSA-N 0 3 234.303 0.527 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(N)nn1 ZINC000703967095 712096902 /nfs/dbraw/zinc/09/69/02/712096902.db2.gz HJLLINWHOFBWBB-KOLCDFICSA-N 0 3 236.319 0.794 20 0 BCADHN CN(Cc1ccc(N)nn1)C[C@H]1CCOC1 ZINC000703965180 712097029 /nfs/dbraw/zinc/09/70/29/712097029.db2.gz VEFSBUDWWKCTKI-SECBINFHSA-N 0 3 222.292 0.527 20 0 BCADHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(N)nn1 ZINC000703967141 712097510 /nfs/dbraw/zinc/09/75/10/712097510.db2.gz NDQFNKLUGKUHDZ-IUCAKERBSA-N 0 3 249.318 0.145 20 0 BCADHN CC[C@H](N)C(=O)NCC[C@@H]1CCSC1 ZINC000704767964 712115703 /nfs/dbraw/zinc/11/57/03/712115703.db2.gz IZHBGOVJDPGOOO-BDAKNGLRSA-N 0 3 216.350 0.983 20 0 BCADHN C[C@@H](N)C(=O)NCC[C@@H]1CCSC1 ZINC000704770395 712115866 /nfs/dbraw/zinc/11/58/66/712115866.db2.gz PPOUHSDICICSFH-HTQZYQBOSA-N 0 3 202.323 0.593 20 0 BCADHN CN(CCO)CCN(C)C(=O)[C@@H]1CC12CC2 ZINC000705189206 712125685 /nfs/dbraw/zinc/12/56/85/712125685.db2.gz QMKBNLFAPAPXQI-JTQLQIEISA-N 0 3 226.320 0.169 20 0 BCADHN O[C@]1(CNCc2cnccn2)CCSC1 ZINC000705255132 712126961 /nfs/dbraw/zinc/12/69/61/712126961.db2.gz MTQSMBNRMPDWBC-JTQLQIEISA-N 0 3 225.317 0.434 20 0 BCADHN CN1CC[C@](O)(CNc2nccnc2F)C1 ZINC000705380254 712129799 /nfs/dbraw/zinc/12/97/99/712129799.db2.gz IPQRRJKZICLAEC-JTQLQIEISA-N 0 3 226.255 0.094 20 0 BCADHN c1ccc2c(c1)CC(N[C@H]1CNOC1)C2 ZINC000705824533 712136621 /nfs/dbraw/zinc/13/66/21/712136621.db2.gz PKJVPAMMURANRY-LBPRGKRZSA-N 0 3 204.273 0.647 20 0 BCADHN COC[C@H](C)N1CC2(C1)CCN(C(C)=O)CC2 ZINC001035630986 712138270 /nfs/dbraw/zinc/13/82/70/712138270.db2.gz CBHDUUALZGPFOL-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1CN(c2ccncc2CO)C[C@@H]1O ZINC000387863585 712147458 /nfs/dbraw/zinc/14/74/58/712147458.db2.gz IBBBSSDOBDMMNU-KCJUWKMLSA-N 0 3 208.261 0.391 20 0 BCADHN O[C@@H]1COCC[C@H]1N[C@@H]1CCc2cccnc21 ZINC000706765915 712154580 /nfs/dbraw/zinc/15/45/80/712154580.db2.gz BHARHVDMUDBTRE-IJLUTSLNSA-N 0 3 234.299 0.808 20 0 BCADHN COc1cncc(CN[C@@H]2CCOC[C@H]2O)c1 ZINC000706775909 712155255 /nfs/dbraw/zinc/15/52/55/712155255.db2.gz YXCQEXUAOYLWKK-VXGBXAGGSA-N 0 3 238.287 0.330 20 0 BCADHN O[C@@H]1COCC[C@H]1NCc1cccc2c1OCC2 ZINC000706775036 712155363 /nfs/dbraw/zinc/15/53/63/712155363.db2.gz JDWWYQPDNIFMGQ-CHWSQXEVSA-N 0 3 249.310 0.861 20 0 BCADHN C[C@@H]1CC(=O)NCCN1CCC1OCCCO1 ZINC000707162733 712166057 /nfs/dbraw/zinc/16/60/57/712166057.db2.gz MOYYSQUXBLIBOO-SNVBAGLBSA-N 0 3 242.319 0.350 20 0 BCADHN Cc1cc(N(C)CCn2cccn2)nc(N)n1 ZINC000707361155 712169403 /nfs/dbraw/zinc/16/94/03/712169403.db2.gz KTDVUDQWPFSIRT-UHFFFAOYSA-N 0 3 232.291 0.700 20 0 BCADHN CN(CCn1cccn1)C(=O)[C@@H](N)CC1CC1 ZINC000707367907 712170172 /nfs/dbraw/zinc/17/01/72/712170172.db2.gz NYTJKOJCXDYRAX-NSHDSACASA-N 0 3 236.319 0.469 20 0 BCADHN CC[C@H](N)c1cn(Cc2nccc(C)n2)nn1 ZINC000707893367 712172904 /nfs/dbraw/zinc/17/29/04/712172904.db2.gz ONSGHVVQNGOAMG-VIFPVBQESA-N 0 3 232.291 0.835 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NC[C@H]1COCCO1 ZINC000707708861 712176661 /nfs/dbraw/zinc/17/66/61/712176661.db2.gz VTHGMGLEZJAOSD-WDEREUQCSA-N 0 3 244.335 0.282 20 0 BCADHN C[S@@](=O)CCN(CCO)CC1CC1 ZINC000708514990 712212235 /nfs/dbraw/zinc/21/22/35/712212235.db2.gz FRQGHHDOSGPELT-CYBMUJFWSA-N 0 3 205.323 0.069 20 0 BCADHN COCCN(C)CCN[C@@H](C)c1cn(C)cn1 ZINC000709922939 712233870 /nfs/dbraw/zinc/23/38/70/712233870.db2.gz YDQLDJHTFVCWSE-NSHDSACASA-N 0 3 240.351 0.649 20 0 BCADHN C[C@@H](NCCCOCCO)c1cn(C)cn1 ZINC000709987697 712237391 /nfs/dbraw/zinc/23/73/91/712237391.db2.gz LCBDVSCEASVHIM-SNVBAGLBSA-N 0 3 227.308 0.470 20 0 BCADHN CNC(=O)CCCN[C@@H](C)c1cn(C)cn1 ZINC000710004803 712239649 /nfs/dbraw/zinc/23/96/49/712239649.db2.gz KDYHOISYVXQPIW-VIFPVBQESA-N 0 3 224.308 0.597 20 0 BCADHN C[C@@H](N[C@H]1CCC[C@@H]1O)c1cn(C)cn1 ZINC000710149380 712246239 /nfs/dbraw/zinc/24/62/39/712246239.db2.gz SHICGNSYTOKQAP-YWVKMMECSA-N 0 3 209.293 0.984 20 0 BCADHN CC(C)(O)CN1CCN(CCOC2CC2)CC1 ZINC000711658516 712315051 /nfs/dbraw/zinc/31/50/51/712315051.db2.gz ZCBBKYATCIXCJQ-UHFFFAOYSA-N 0 3 242.363 0.554 20 0 BCADHN Cc1nc(CCNCc2nccn2C2CC2)n[nH]1 ZINC000711782441 712329679 /nfs/dbraw/zinc/32/96/79/712329679.db2.gz FFCGNASTELIGHY-UHFFFAOYSA-N 0 3 246.318 0.977 20 0 BCADHN Cc1n[nH]c(CCNCc2nccn2C2CC2)n1 ZINC000711782441 712329681 /nfs/dbraw/zinc/32/96/81/712329681.db2.gz FFCGNASTELIGHY-UHFFFAOYSA-N 0 3 246.318 0.977 20 0 BCADHN C[C@H](N)C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711858646 712335637 /nfs/dbraw/zinc/33/56/37/712335637.db2.gz RVVXWGILAFKZLZ-JMJZKYOTSA-N 0 3 226.320 0.655 20 0 BCADHN NC1(C(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000711858656 712335891 /nfs/dbraw/zinc/33/58/91/712335891.db2.gz RXDXPNGDDRLWKN-MNOVXSKESA-N 0 3 238.331 0.799 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1ccccc1 ZINC001079365786 712346694 /nfs/dbraw/zinc/34/66/94/712346694.db2.gz GUTWCJSYPPPFCC-DGCLKSJQSA-N 0 3 248.326 0.729 20 0 BCADHN C[C@H](C(=O)N[C@@H]1CN(CCO)C[C@H]1C)C1CC1 ZINC001079537751 712348703 /nfs/dbraw/zinc/34/87/03/712348703.db2.gz GKGDXLABNFCLBZ-JFGNBEQYSA-N 0 3 240.347 0.461 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1cc[nH]c1 ZINC001079749771 712350520 /nfs/dbraw/zinc/35/05/20/712350520.db2.gz AHJYNNNUJIJJMS-MWLCHTKSSA-N 0 3 237.303 0.057 20 0 BCADHN C[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2(C)CC2)C1 ZINC001079745332 712350796 /nfs/dbraw/zinc/35/07/96/712350796.db2.gz VMOLWRSSSSSWPA-OUAUKWLOSA-N 0 3 240.347 0.604 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001080398719 712352987 /nfs/dbraw/zinc/35/29/87/712352987.db2.gz ISDYRUYPJPPSMI-VXNVDRBHSA-N 0 3 240.282 0.619 20 0 BCADHN Cc1cncc(C(=O)NOCCN(C)C)c1 ZINC000379144703 712369987 /nfs/dbraw/zinc/36/99/87/712369987.db2.gz GXVNPGLCPCSCQG-UHFFFAOYSA-N 0 3 223.276 0.613 20 0 BCADHN CN(C)CCONC(=O)[C@H]1CC1(C)C ZINC000379117614 712370256 /nfs/dbraw/zinc/37/02/56/712370256.db2.gz VALDNKGKASNMSQ-MRVPVSSYSA-N 0 3 200.282 0.642 20 0 BCADHN Cc1nnsc1C(=O)NOCCN(C)C ZINC000379147563 712370318 /nfs/dbraw/zinc/37/03/18/712370318.db2.gz HSYOOCJFKDTZTM-UHFFFAOYSA-N 0 3 230.293 0.070 20 0 BCADHN N[C@H](CC1CC1)C(=O)N[C@H]1CCSC1 ZINC000379496041 712386115 /nfs/dbraw/zinc/38/61/15/712386115.db2.gz ZISXETZCOLDUGY-DTWKUNHWSA-N 0 3 214.334 0.736 20 0 BCADHN COCC[C@H](N)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000379548144 712387425 /nfs/dbraw/zinc/38/74/25/712387425.db2.gz IIHVPJHQOCKWGT-AEJSXWLSSA-N 0 3 226.320 0.465 20 0 BCADHN CCOC(=O)/C=C\CN(C)CC(C)(C)O ZINC000379654102 712391329 /nfs/dbraw/zinc/39/13/29/712391329.db2.gz SSDZKIZRZVNTOY-SREVYHEPSA-N 0 3 215.293 0.808 20 0 BCADHN O=C1OCC[C@H]1N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712323307 712396780 /nfs/dbraw/zinc/39/67/80/712396780.db2.gz KXACQBBXVNFARH-UTINFBMNSA-N 0 3 211.261 0.005 20 0 BCADHN COCC[C@@H](N)C(=O)N(C)CCC1CC1 ZINC000379779548 712399022 /nfs/dbraw/zinc/39/90/22/712399022.db2.gz FKQBNMSUUBOGPP-SNVBAGLBSA-N 0 3 214.309 0.609 20 0 BCADHN COC(=O)c1ccc(CNC[C@@H]2CCN2C)o1 ZINC000712597676 712436000 /nfs/dbraw/zinc/43/60/00/712436000.db2.gz ZLMMKGUEPADQDE-VIFPVBQESA-N 0 3 238.287 0.860 20 0 BCADHN CCN1CC[C@H]1CNCc1cn(C)cn1 ZINC000712534173 712442090 /nfs/dbraw/zinc/44/20/90/712442090.db2.gz IORUUQHWNICOIR-NSHDSACASA-N 0 3 208.309 0.604 20 0 BCADHN CCN1CC[C@@H]1CNc1cc(=O)[nH]cn1 ZINC000712564274 712446266 /nfs/dbraw/zinc/44/62/66/712446266.db2.gz MXDBRUVBDUQDGZ-MRVPVSSYSA-N 0 3 208.265 0.688 20 0 BCADHN CCCS(=O)(=O)N1CCNCCC12CCC2 ZINC000713185900 712453901 /nfs/dbraw/zinc/45/39/01/712453901.db2.gz AWDFYUIVJNRATB-UHFFFAOYSA-N 0 3 246.376 0.944 20 0 BCADHN C=C/C=C\CCN1CCN(C)[C@H](CO)C1 ZINC000713644857 712468477 /nfs/dbraw/zinc/46/84/77/712468477.db2.gz LOOJLKORNSWTJW-RXNFCKPNSA-N 0 3 210.321 0.727 20 0 BCADHN CC1(C)CCC[C@H](CN(CCO)CCO)O1 ZINC000714380558 712481713 /nfs/dbraw/zinc/48/17/13/712481713.db2.gz IVIYKAIJWOYSFZ-LLVKDONJSA-N 0 3 231.336 0.621 20 0 BCADHN COC[C@H]1C[C@@H](NCc2ccnc(OC)n2)C1 ZINC000714476777 712491738 /nfs/dbraw/zinc/49/17/38/712491738.db2.gz IOSFUFRTYGJDMH-JGZJWPJOSA-N 0 3 237.303 1.000 20 0 BCADHN CCCn1cc(CNCCn2ccnc2C)nn1 ZINC000714502389 712492810 /nfs/dbraw/zinc/49/28/10/712492810.db2.gz UTONVBILNLQSLI-UHFFFAOYSA-N 0 3 248.334 0.983 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H](O)c1ccccc1 ZINC000036871676 712506694 /nfs/dbraw/zinc/50/66/94/712506694.db2.gz MKMJJYKFVAABJS-GHMZBOCLSA-N 0 3 222.288 0.574 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CC[C@H](C3CC3)O2)C[C@H]1O ZINC000715397961 712516643 /nfs/dbraw/zinc/51/66/43/712516643.db2.gz XWIYRVIOHSEVCS-UMSGYPCISA-N 0 3 241.331 0.636 20 0 BCADHN OCCN(CCO)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715533867 712526279 /nfs/dbraw/zinc/52/62/79/712526279.db2.gz JUCQUTJUNDBSNA-NEPJUHHUSA-N 0 3 229.320 0.231 20 0 BCADHN CNCC(=O)Nc1ccc(F)c(C(=O)OC)c1 ZINC000037028458 712530458 /nfs/dbraw/zinc/53/04/58/712530458.db2.gz CVJOQUXVGBXMBF-UHFFFAOYSA-N 0 3 240.234 0.770 20 0 BCADHN C[C@@H](CCO)CCN[C@@H](C)c1cn(C)nn1 ZINC000715854592 712536521 /nfs/dbraw/zinc/53/65/21/712536521.db2.gz VPIVWDUHSWVOPU-ZJUUUORDSA-N 0 3 226.324 0.874 20 0 BCADHN C[C@H](NC[C@]1(C)CCOC1)c1cn(C)nn1 ZINC000715853910 712536728 /nfs/dbraw/zinc/53/67/28/712536728.db2.gz USNXJERNPKACPN-ONGXEEELSA-N 0 3 224.308 0.892 20 0 BCADHN C[C@H](NCCCn1ccnc1)c1cn(C)nn1 ZINC000715885807 712539831 /nfs/dbraw/zinc/53/98/31/712539831.db2.gz TZTNHDRXVPZONO-JTQLQIEISA-N 0 3 234.307 0.753 20 0 BCADHN C[C@H](NCCCCCO)c1cn(C)nn1 ZINC000715894380 712540836 /nfs/dbraw/zinc/54/08/36/712540836.db2.gz QLVXWVJJLBOPAZ-VIFPVBQESA-N 0 3 212.297 0.628 20 0 BCADHN C[C@H](NCCOCCO)c1ccns1 ZINC000715919309 712542079 /nfs/dbraw/zinc/54/20/79/712542079.db2.gz IOEJPKBOEKQAHD-QMMMGPOBSA-N 0 3 216.306 0.803 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1ccns1 ZINC000715922807 712542732 /nfs/dbraw/zinc/54/27/32/712542732.db2.gz SUCXGKDGRBHIIL-SFYZADRCSA-N 0 3 216.306 0.801 20 0 BCADHN C[C@@H](N)C(=O)NCC[C@H]1CCCS1 ZINC000716034795 712547634 /nfs/dbraw/zinc/54/76/34/712547634.db2.gz GHZOQNPAIOIXGM-HTQZYQBOSA-N 0 3 202.323 0.736 20 0 BCADHN CC[C@@H](C)CN(C)S(=O)(=O)N1CCNCC1 ZINC000037173622 712550169 /nfs/dbraw/zinc/55/01/69/712550169.db2.gz ISCWIPOCEQQDHE-SNVBAGLBSA-N 0 3 249.380 0.114 20 0 BCADHN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@H](CO)CN(C)C ZINC000716426348 712560158 /nfs/dbraw/zinc/56/01/58/712560158.db2.gz ZOCVGKLQPOXKLV-DGORSVRFSA-N 0 3 240.347 0.317 20 0 BCADHN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000716426350 712560188 /nfs/dbraw/zinc/56/01/88/712560188.db2.gz ZOCVGKLQPOXKLV-LDMBFOFVSA-N 0 3 240.347 0.317 20 0 BCADHN C/C=C/C=C\C(=O)N[C@H](CO)CN(C)C ZINC000716784604 712573613 /nfs/dbraw/zinc/57/36/13/712573613.db2.gz GGWZHQZLBYWXFK-IAYQKGBCSA-N 0 3 212.293 0.157 20 0 BCADHN CCC(=O)CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000847050425 712608300 /nfs/dbraw/zinc/60/83/00/712608300.db2.gz UQADLLRWLBYADK-CMPLNLGQSA-N 0 3 226.320 0.106 20 0 BCADHN C[C@@](O)(CO)CNCc1ccc(F)nc1 ZINC000379914838 712625129 /nfs/dbraw/zinc/62/51/29/712625129.db2.gz BFYIRKMPQACQOB-JTQLQIEISA-N 0 3 214.240 0.054 20 0 BCADHN Cc1ccnn1CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000876795241 712629744 /nfs/dbraw/zinc/62/97/44/712629744.db2.gz DPUPPZGMBRQAIE-KOLCDFICSA-N 0 3 236.319 0.400 20 0 BCADHN CC[C@]1(NCC(=O)N(C)OC)CCOC1 ZINC000379958998 712636907 /nfs/dbraw/zinc/63/69/07/712636907.db2.gz WIBYLBFDKTWRBL-JTQLQIEISA-N 0 3 216.281 0.165 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1ccc2nccn2c1 ZINC000884221247 712644289 /nfs/dbraw/zinc/64/42/89/712644289.db2.gz NRRBXNJPGORDMV-SNVBAGLBSA-N 0 3 248.286 0.637 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@H](N)CC2CC2)no1 ZINC000884251605 712644641 /nfs/dbraw/zinc/64/46/41/712644641.db2.gz LROMDKRFKWWUCP-SECBINFHSA-N 0 3 238.291 0.464 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@@H](N)CC2CC2)no1 ZINC000884251606 712644665 /nfs/dbraw/zinc/64/46/65/712644665.db2.gz LROMDKRFKWWUCP-VIFPVBQESA-N 0 3 238.291 0.464 20 0 BCADHN CC1(C)OCC(CO)(NCCCF)CO1 ZINC000379998621 712651616 /nfs/dbraw/zinc/65/16/16/712651616.db2.gz JFOZLVZPVQTAPO-UHFFFAOYSA-N 0 3 221.272 0.450 20 0 BCADHN COc1ccc(C)cc1CNC[C@@H](O)[C@H](C)O ZINC000717394693 712654197 /nfs/dbraw/zinc/65/41/97/712654197.db2.gz KEJOUIWXRPBXPL-CMPLNLGQSA-N 0 3 239.315 0.835 20 0 BCADHN Cc1cc(CNC[C@@H](O)[C@H](C)O)cs1 ZINC000717424494 712658209 /nfs/dbraw/zinc/65/82/09/712658209.db2.gz XBWNGLRYEOSGGW-WCBMZHEXSA-N 0 3 215.318 0.888 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cccc(O)c1 ZINC000717428017 712658360 /nfs/dbraw/zinc/65/83/60/712658360.db2.gz OVQRDTBGVDYBOC-KWQFWETISA-N 0 3 211.261 0.224 20 0 BCADHN Cc1ccc(CNC[C@@H](O)[C@@H](C)O)cn1 ZINC000717427673 712658413 /nfs/dbraw/zinc/65/84/13/712658413.db2.gz MBEYJEDZWWSYEM-MWLCHTKSSA-N 0 3 210.277 0.221 20 0 BCADHN COC1(OC)CC[C@@H]1NC/C=C/CO ZINC000717532091 712660454 /nfs/dbraw/zinc/66/04/54/712660454.db2.gz LKGBNEBZIOVSPI-NWALNABHSA-N 0 3 201.266 0.276 20 0 BCADHN Cc1ncc(CN[C@]23C[C@H]2COC3)n1C ZINC000717974808 712734563 /nfs/dbraw/zinc/73/45/63/712734563.db2.gz DKPFBUDICONJLK-ONGXEEELSA-N 0 3 207.277 0.607 20 0 BCADHN C[S@@](=O)CCN1CCC[C@@H](C2OCCO2)C1 ZINC000718979631 712791290 /nfs/dbraw/zinc/79/12/90/712791290.db2.gz JCXOWHNCGJOANA-QLJPJBMISA-N 0 3 247.360 0.450 20 0 BCADHN Cn1ncc(CN)c1C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000719191674 712799582 /nfs/dbraw/zinc/79/95/82/712799582.db2.gz LMJCMGRHMGUGJQ-AOOOYVTPSA-N 0 3 248.330 0.607 20 0 BCADHN C[C@@H](C1CC1)N(C)C(=O)c1c(CN)cnn1C ZINC000719245072 712801163 /nfs/dbraw/zinc/80/11/63/712801163.db2.gz OQDPXJRWZWJIBM-QMMMGPOBSA-N 0 3 236.319 0.749 20 0 BCADHN CN(CCC1CC1)C(=O)c1c(CN)cnn1C ZINC000719251512 712801643 /nfs/dbraw/zinc/80/16/43/712801643.db2.gz WHYCAXGKKNHTAB-UHFFFAOYSA-N 0 3 236.319 0.751 20 0 BCADHN CCCCCNC(=O)c1c(CN)cnn1C ZINC000719262015 712802166 /nfs/dbraw/zinc/80/21/66/712802166.db2.gz LNZBZZKFAQQYPU-UHFFFAOYSA-N 0 3 224.308 0.799 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C ZINC000719341380 712804987 /nfs/dbraw/zinc/80/49/87/712804987.db2.gz MLJFTKATCPVCCO-PSASIEDQSA-N 0 3 235.287 0.610 20 0 BCADHN C[C@@H]1[C@@H](Nc2nc(N)nc(C3CC3)n2)CCN1C ZINC000719361271 712805534 /nfs/dbraw/zinc/80/55/34/712805534.db2.gz ZMMWGIGZXNFVKV-APPZFPTMSA-N 0 3 248.334 0.836 20 0 BCADHN C[C@@H](Cc1ccco1)NCCS(C)(=O)=O ZINC000038092993 712807403 /nfs/dbraw/zinc/80/74/03/712807403.db2.gz QVKQLGUSIWXJDL-VIFPVBQESA-N 0 3 231.317 0.845 20 0 BCADHN CNc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cn1 ZINC000719497428 712809025 /nfs/dbraw/zinc/80/90/25/712809025.db2.gz SSAQQEZGLXKXQU-GXSJLCMTSA-N 0 3 248.330 0.946 20 0 BCADHN CCn1ccnc(N[C@@H]2CCN(C)[C@@H]2C)c1=O ZINC000719570970 712810805 /nfs/dbraw/zinc/81/08/05/712810805.db2.gz FKIDZKLAWMVPRL-NXEZZACHSA-N 0 3 236.319 0.768 20 0 BCADHN CCn1ccnc(N[C@H]2CCN(C)[C@@H]2C)c1=O ZINC000719570973 712811067 /nfs/dbraw/zinc/81/10/67/712811067.db2.gz FKIDZKLAWMVPRL-ZJUUUORDSA-N 0 3 236.319 0.768 20 0 BCADHN CCCNC(=O)CN1CCC[C@@H](C(C)(C)O)C1 ZINC000719639601 712814726 /nfs/dbraw/zinc/81/47/26/712814726.db2.gz CCIRXMTZGIWWLU-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](CNCCc1ccns1)S(C)(=O)=O ZINC000719804061 712822945 /nfs/dbraw/zinc/82/29/45/712822945.db2.gz VONOZIUHIHBXIW-QMMMGPOBSA-N 0 3 248.373 0.708 20 0 BCADHN CCN(CCO)CCc1ccns1 ZINC000719847090 712825993 /nfs/dbraw/zinc/82/59/93/712825993.db2.gz XJGLPEPSOYEKGY-UHFFFAOYSA-N 0 3 200.307 1.000 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@H]1O ZINC000720566494 712852332 /nfs/dbraw/zinc/85/23/32/712852332.db2.gz PFFRLZZGGDUSNT-IEECTRCBSA-N 0 3 241.331 0.636 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1nc[nH]n1 ZINC000720813376 712867704 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538919203 /nfs/dbraw/zinc/91/92/03/538919203.db2.gz MZTZNDQXBBVRCK-UHFFFAOYSA-N 0 3 210.277 0.842 20 0 BCADHN Cc1cc(CN2C[C@@H](O)[C@H](CO)C2)cs1 ZINC000317574333 178004973 /nfs/dbraw/zinc/00/49/73/178004973.db2.gz BHBUXIQORRYMCB-WDEREUQCSA-N 0 3 227.329 0.842 20 0 BCADHN CS[C@H](C)CNC(=O)[C@@]1(F)CCNC1 ZINC000125429993 398151611 /nfs/dbraw/zinc/15/16/11/398151611.db2.gz YUTNVXPNTCSLAU-VXNVDRBHSA-N 0 3 220.313 0.556 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCc1ccc(=O)[nH]c1 ZINC000649337100 398152216 /nfs/dbraw/zinc/15/22/16/398152216.db2.gz BZSILHZXXVMESN-JTQLQIEISA-N 0 3 235.287 0.401 20 0 BCADHN CCCCNC(=O)[C@@H]1CCCN(C(=O)CN)C1 ZINC000156965673 136213732 /nfs/dbraw/zinc/21/37/32/136213732.db2.gz RGBPQYIZQFDFPA-SNVBAGLBSA-N 0 3 241.335 0.100 20 0 BCADHN CN(C(=O)[C@H]1NCC1(C)C)c1cnn(C)c1 ZINC000649340106 398156611 /nfs/dbraw/zinc/15/66/11/398156611.db2.gz BYVLANVEAHSDRD-SECBINFHSA-N 0 3 222.292 0.381 20 0 BCADHN CCOCC[C@@H](O)CN1CC([C@@H]2CCOC2)C1 ZINC000366492862 398167478 /nfs/dbraw/zinc/16/74/78/398167478.db2.gz NNVQWEDPJXHOPU-DGCLKSJQSA-N 0 3 243.347 0.742 20 0 BCADHN CN(Cc1cc[nH]n1)C(=O)C1(N)CCCC1 ZINC000335893118 136214903 /nfs/dbraw/zinc/21/49/03/136214903.db2.gz RYFMVKFYBRFEGG-UHFFFAOYSA-N 0 3 222.292 0.640 20 0 BCADHN CCC[C@H]1CNCCN1C(=O)[C@H](C)N(C)C ZINC000649355686 398168080 /nfs/dbraw/zinc/16/80/80/398168080.db2.gz OCBFFMXTMZWBEG-QWRGUYRKSA-N 0 3 227.352 0.537 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccc(C(=O)NC)cc1 ZINC000040800548 398168413 /nfs/dbraw/zinc/16/84/13/398168413.db2.gz IWWWHAWUVIITCL-NSHDSACASA-N 0 3 249.314 0.400 20 0 BCADHN Cc1cc(CNC[C@H](O)CO)cs1 ZINC000285810472 178025341 /nfs/dbraw/zinc/02/53/41/178025341.db2.gz HMDBPUKQLJRJSA-VIFPVBQESA-N 0 3 201.291 0.499 20 0 BCADHN CC(=O)CCC(=O)NC[C@@H](C1CC1)N(C)C ZINC000337468953 187324879 /nfs/dbraw/zinc/32/48/79/187324879.db2.gz VDNJBSISGQHXGG-NSHDSACASA-N 0 3 226.320 0.812 20 0 BCADHN Cc1cc(CN[C@@H]2CN(C)C[C@@H]2C)n(C)n1 ZINC000309405742 178035830 /nfs/dbraw/zinc/03/58/30/178035830.db2.gz HYSCPRAGWUMQIT-JOYOIKCWSA-N 0 3 222.336 0.768 20 0 BCADHN C[C@H]1NCCN(C(=O)CCn2ccnc2)[C@H]1C ZINC000277466192 398174434 /nfs/dbraw/zinc/17/44/34/398174434.db2.gz JGWFZHJFHSVNOR-MNOVXSKESA-N 0 3 236.319 0.482 20 0 BCADHN COC[C@H]1CCCN([C@@H](C)C(N)=O)C1 ZINC000112986089 136216392 /nfs/dbraw/zinc/21/63/92/136216392.db2.gz FUNIIBSXBIMVSV-IUCAKERBSA-N 0 3 200.282 0.219 20 0 BCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COC ZINC000177785757 136217011 /nfs/dbraw/zinc/21/70/11/136217011.db2.gz OBQWCZQXTSFQKX-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN CCN(CC)CC(=O)N(C)CC1(O)CCC1 ZINC000337395820 187325194 /nfs/dbraw/zinc/32/51/94/187325194.db2.gz IXNLRTVKFULTQE-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN CC1(C)CN(C[C@H]2CCOC2)[C@@H]2COC[C@H]2O1 ZINC000649910354 398182688 /nfs/dbraw/zinc/18/26/88/398182688.db2.gz NXFWKLRHWKACHS-IJLUTSLNSA-N 0 3 241.331 0.901 20 0 BCADHN CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000574889044 398186097 /nfs/dbraw/zinc/18/60/97/398186097.db2.gz 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0.901 20 0 BCADHN CC(=O)N1CCN(CC2CCOCC2)[C@H](C)C1 ZINC000334196448 398193877 /nfs/dbraw/zinc/19/38/77/398193877.db2.gz IMDQRNVFNKDCEU-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@]1(CO)CCC[C@@H]1N[C@H]1CCNC1=O ZINC000309140678 136217802 /nfs/dbraw/zinc/21/78/02/136217802.db2.gz SXVJKZMPXYXPJP-ATZCPNFKSA-N 0 3 212.293 0.016 20 0 BCADHN CC(=O)N1CCN(CC2CCOCC2)[C@@H](C)C1 ZINC000334196451 398194033 /nfs/dbraw/zinc/19/40/33/398194033.db2.gz IMDQRNVFNKDCEU-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CN1CCN(C(=O)Cc2ccn[nH]2)C(C)(C)C1 ZINC000270952858 538923084 /nfs/dbraw/zinc/92/30/84/538923084.db2.gz LSQGVVHPFWFAMM-UHFFFAOYSA-N 0 3 236.319 0.505 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1ccccc1O ZINC000576239989 365534082 /nfs/dbraw/zinc/53/40/82/365534082.db2.gz NYYHSPZJQNHQKO-VIFPVBQESA-N 0 3 222.288 0.659 20 0 BCADHN CC(C)[C@@H](O)CN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000336695519 398195725 /nfs/dbraw/zinc/19/57/25/398195725.db2.gz YHEOAXOYNFSNBK-WPRPVWTQSA-N 0 3 225.292 0.850 20 0 BCADHN CC[C@]1(NCc2n[nH]c(C)n2)CCOC1 ZINC000380348410 398196091 /nfs/dbraw/zinc/19/60/91/398196091.db2.gz UPBGFWWSYVLGFJ-JTQLQIEISA-N 0 3 210.281 0.772 20 0 BCADHN C[C@H]1[C@H](NCc2cnn(C)c2)CCCN1C ZINC000336747834 398196573 /nfs/dbraw/zinc/19/65/73/398196573.db2.gz SHCFTCRACYMXLF-CMPLNLGQSA-N 0 3 222.336 0.992 20 0 BCADHN C[C@@H]1C[C@@H](N[C@H]2CCS(=O)(=O)C2)CS1 ZINC000252120153 398185444 /nfs/dbraw/zinc/18/54/44/398185444.db2.gz KSVOWJADQVTLRJ-HRDYMLBCSA-N 0 3 235.374 0.657 20 0 BCADHN CCC[C@@H](O)CN1CCNC(=O)C[C@@H]1C ZINC000649400022 398202053 /nfs/dbraw/zinc/20/20/53/398202053.db2.gz KEXDDUDWTRHBQY-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NC[C@@H](O)C(C)(C)C ZINC000309751925 136219516 /nfs/dbraw/zinc/21/95/16/136219516.db2.gz GXEOFGKAXDOSNM-BBBLOLIVSA-N 0 3 228.336 0.508 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@@H](O)C(C)(C)C ZINC000309751929 136219590 /nfs/dbraw/zinc/21/95/90/136219590.db2.gz GXEOFGKAXDOSNM-OPRDCNLKSA-N 0 3 228.336 0.508 20 0 BCADHN COCC[C@H](C)N1CCN(C[C@H](C)O)CC1 ZINC000494429548 538926769 /nfs/dbraw/zinc/92/67/69/538926769.db2.gz KPFDOCDPJXATTN-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN CC/C=C\CCN1CCN(CCO)CC1 ZINC000342272117 365542786 /nfs/dbraw/zinc/54/27/86/365542786.db2.gz KDYKZMSHIUDLFI-ARJAWSKDSA-N 0 3 212.337 0.953 20 0 BCADHN N[C@H](CC(F)F)C(=O)NC[C@H]1CCCO1 ZINC000336706165 398204420 /nfs/dbraw/zinc/20/44/20/398204420.db2.gz RIZZGSJIKOFORI-RNFRBKRXSA-N 0 3 222.235 0.264 20 0 BCADHN CCc1nn(C)cc1CN1CC[C@@H](CO)C1 ZINC000162817498 538925388 /nfs/dbraw/zinc/92/53/88/538925388.db2.gz UZLIBISCOJRNTC-SNVBAGLBSA-N 0 3 223.320 0.797 20 0 BCADHN CN1CCC[C@@H]1CN1C[C@H](CO)OC(C)(C)C1 ZINC000386327829 398205784 /nfs/dbraw/zinc/20/57/84/398205784.db2.gz OYPILGVNTOBAMY-VXGBXAGGSA-N 0 3 242.363 0.552 20 0 BCADHN Cc1cc(NC(=O)[C@@H](C)NC2CC2)n(C)n1 ZINC000382950339 398206043 /nfs/dbraw/zinc/20/60/43/398206043.db2.gz LMCDSILVXQLTDI-MRVPVSSYSA-N 0 3 222.292 0.808 20 0 BCADHN Cc1cc(NC(=O)CN[C@H](CO)C(C)C)no1 ZINC000180609261 178132863 /nfs/dbraw/zinc/13/28/63/178132863.db2.gz XIBAJWQGZXUFAN-SECBINFHSA-N 0 3 241.291 0.528 20 0 BCADHN Cc1cc(NC(=O)CN[C@H](C)[C@@H](C)CO)no1 ZINC000274035474 178133201 /nfs/dbraw/zinc/13/32/01/178133201.db2.gz OBGPIPXRNTWYEK-IONNQARKSA-N 0 3 241.291 0.528 20 0 BCADHN Cc1cc(NC(=O)C[C@@H]2CNCCO2)n(C)n1 ZINC000091299157 178134825 /nfs/dbraw/zinc/13/48/25/178134825.db2.gz RGULKYUIUNOPDL-SECBINFHSA-N 0 3 238.291 0.046 20 0 BCADHN C[C@@H]1[C@H](C)N(CCn2ccnc2)CCN1C ZINC000334453026 398208044 /nfs/dbraw/zinc/20/80/44/398208044.db2.gz ZVJXUHMWMGFFQH-NEPJUHHUSA-N 0 3 222.336 0.908 20 0 BCADHN CNS(=O)(=O)[C@H]1CCCN(CC2(C)CC2)C1 ZINC000576291390 365555232 /nfs/dbraw/zinc/55/52/32/365555232.db2.gz VBLQVVDFPLQLHL-JTQLQIEISA-N 0 3 246.376 0.800 20 0 BCADHN CC(C)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2N)CCO1 ZINC000331938432 187327953 /nfs/dbraw/zinc/32/79/53/187327953.db2.gz IDFMTHCUYZSYLB-ZNSHCXBVSA-N 0 3 226.320 0.653 20 0 BCADHN CCOCCN[C@@](C)(CCO)COC ZINC000085902929 398214744 /nfs/dbraw/zinc/21/47/44/398214744.db2.gz TXSFTEDIZFCNQC-JTQLQIEISA-N 0 3 205.298 0.400 20 0 BCADHN Cc1cc(NC(=O)[C@@H]2C[C@@H](O)CN2)ccc1F ZINC000061119343 178145779 /nfs/dbraw/zinc/14/57/79/178145779.db2.gz HWPZSQLYVZWJQO-KOLCDFICSA-N 0 3 238.262 0.795 20 0 BCADHN C[C@H](Cn1c(=O)onc1-c1cccnc1)N(C)C ZINC000331089321 398217450 /nfs/dbraw/zinc/21/74/50/398217450.db2.gz TZMCGWNODITWBE-SECBINFHSA-N 0 3 248.286 0.848 20 0 BCADHN CC[C@](C)(O)CNC(=O)/C=C\CN(C)C ZINC000491943921 529374607 /nfs/dbraw/zinc/37/46/07/529374607.db2.gz YRVJQVUZLQCUOL-ZADCQDASSA-N 0 3 214.309 0.381 20 0 BCADHN CN(C)CCN(C)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000426718452 398218392 /nfs/dbraw/zinc/21/83/92/398218392.db2.gz WLAIJEIGKGPHCN-URLYPYJESA-N 0 3 225.336 0.988 20 0 BCADHN CCC[C@H](CNC[C@@H]1CCCS1(=O)=O)OC ZINC000386453000 398210312 /nfs/dbraw/zinc/21/03/12/398210312.db2.gz OFWUVQGXYTZEKP-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN CCc1ncncc1C(=O)N[C@@H]1CCN(CC)C1 ZINC000576366292 365580367 /nfs/dbraw/zinc/58/03/67/365580367.db2.gz KYPQQXRPTZOHOR-SNVBAGLBSA-N 0 3 248.330 0.863 20 0 BCADHN CC(C)NC(=O)CN(C)CCN1CCCC1 ZINC000163387409 538927876 /nfs/dbraw/zinc/92/78/76/538927876.db2.gz DHGSXPRHDAFFMB-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN Cc1cc(NC[C@@H]2CCCN2C)n2ncnc2n1 ZINC000221256098 178167296 /nfs/dbraw/zinc/16/72/96/178167296.db2.gz VLCVDHSWEPVPHV-JTQLQIEISA-N 0 3 246.318 0.939 20 0 BCADHN COc1ncncc1CNCCN1CCCC1 ZINC000647168229 398220326 /nfs/dbraw/zinc/22/03/26/398220326.db2.gz MUFYZLCLBOJIAQ-UHFFFAOYSA-N 0 3 236.319 0.671 20 0 BCADHN C[C@H](C(=O)NCCN(C)C1CC1)N1CC(C)C1 ZINC000576409302 365589879 /nfs/dbraw/zinc/58/98/79/365589879.db2.gz ORLXLAXZPPZGTN-LLVKDONJSA-N 0 3 239.363 0.537 20 0 BCADHN CCC[C@]1(C)C(=O)NCCN1C(=O)[C@H](N)CC ZINC000639017048 398222910 /nfs/dbraw/zinc/22/29/10/398222910.db2.gz QFWQJBVIBQHXQF-BXKDBHETSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@H]1C[C@H](C(=O)N2CCNC(C)(C)C2)CO1 ZINC000161955288 349521056 /nfs/dbraw/zinc/52/10/56/349521056.db2.gz IXLOGSKJMQVZND-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)NCCN(C)C)n1 ZINC000342659851 136223547 /nfs/dbraw/zinc/22/35/47/136223547.db2.gz FZLUACUBVCZKBW-SSDOTTSWSA-N 0 3 241.295 0.300 20 0 BCADHN CCNC(=O)C1(CNCc2cncnc2)CCC1 ZINC000277148031 538933850 /nfs/dbraw/zinc/93/38/50/538933850.db2.gz FLEJJKSDWSPWLW-UHFFFAOYSA-N 0 3 248.330 0.873 20 0 BCADHN C[C@@H]1CN(C(=O)C2CCOCC2)[C@@H](C)CN1 ZINC000083118298 349523139 /nfs/dbraw/zinc/52/31/39/349523139.db2.gz NESKUTKXRQWTRB-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](O)C1CCCCC1 ZINC000129370866 343989197 /nfs/dbraw/zinc/98/91/97/343989197.db2.gz YTVHFHJHROXURP-MNOVXSKESA-N 0 3 228.336 0.781 20 0 BCADHN CCCCCC(=O)NCCN1CC[C@H](O)C1 ZINC000629911598 361766904 /nfs/dbraw/zinc/76/69/04/361766904.db2.gz NNWHCWTWPFCBMI-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN C[C@H]1CN(C)CCN1C(=O)[C@H]1CCCN1C ZINC000334317555 136225356 /nfs/dbraw/zinc/22/53/56/136225356.db2.gz QPIRVTMACBGXHE-WDEREUQCSA-N 0 3 225.336 0.243 20 0 BCADHN CN(CC(=O)NC[C@@H]1CCCN1C)C1CCC1 ZINC000629952644 361797393 /nfs/dbraw/zinc/79/73/93/361797393.db2.gz PZLNEEOZSDRHEG-LBPRGKRZSA-N 0 3 239.363 0.681 20 0 BCADHN CN(C(=O)c1cc[n+]([O-])cc1)[C@@H]1CCCN(C)C1 ZINC000266059667 187332710 /nfs/dbraw/zinc/33/27/10/187332710.db2.gz DELLQTNXLVKHAA-GFCCVEGCSA-N 0 3 249.314 0.486 20 0 BCADHN CN(C)CCNC(=O)c1nnc2ccccc2n1 ZINC000280664553 538937841 /nfs/dbraw/zinc/93/78/41/538937841.db2.gz AUGKEDGDRYQMTN-UHFFFAOYSA-N 0 3 245.286 0.316 20 0 BCADHN CC(C)(C)[NH2+]CCNC(=O)c1cc(=O)[n-]cn1 ZINC000629963628 361810351 /nfs/dbraw/zinc/81/03/51/361810351.db2.gz QJFWVKHBOWWLBR-UHFFFAOYSA-N 0 3 238.291 0.300 20 0 BCADHN Cc1c[nH]nc1CN1CCN2CCC1CC2 ZINC000334508730 136227225 /nfs/dbraw/zinc/22/72/25/136227225.db2.gz BALHVJVPDMGHSY-UHFFFAOYSA-N 0 3 220.320 0.998 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](C)c1cn[nH]c1 ZINC000270471954 187334548 /nfs/dbraw/zinc/33/45/48/187334548.db2.gz NIKZNZZRRDQGCM-VIFPVBQESA-N 0 3 224.308 0.927 20 0 BCADHN COC(=O)[C@H](O)C1CCN(C[C@@H](C)OC)CC1 ZINC000182356729 398241464 /nfs/dbraw/zinc/24/14/64/398241464.db2.gz KBGZMOKMYDMWFU-MWLCHTKSSA-N 0 3 245.319 0.267 20 0 BCADHN CCC[C@](C)(NC(=O)CNC(C)C)C(=O)OC ZINC000576480616 365607138 /nfs/dbraw/zinc/60/71/38/365607138.db2.gz QTAFNWHQQPWCFS-LBPRGKRZSA-N 0 3 244.335 0.832 20 0 BCADHN CC1(O)CCN(CCn2ccccc2=O)CC1 ZINC000167416523 538941791 /nfs/dbraw/zinc/94/17/91/538941791.db2.gz FQKBVZLRCCMWLI-UHFFFAOYSA-N 0 3 236.315 0.695 20 0 BCADHN CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC000629977025 361820209 /nfs/dbraw/zinc/82/02/09/361820209.db2.gz GHAIWRZKUYSALH-ZYHUDNBSSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1O ZINC000629976651 361820478 /nfs/dbraw/zinc/82/04/78/361820478.db2.gz RCPGXNPDNJJITQ-KOLCDFICSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@]1(O)CCCN(CCN2CCNC2=O)CC1 ZINC000230378303 136228474 /nfs/dbraw/zinc/22/84/74/136228474.db2.gz GPFFRTGBKAAOKV-GFCCVEGCSA-N 0 3 241.335 0.249 20 0 BCADHN CN(CCNC(=O)NCc1cocn1)C1CC1 ZINC000602428896 349534342 /nfs/dbraw/zinc/53/43/42/349534342.db2.gz AMMWQRVHFVEWJI-UHFFFAOYSA-N 0 3 238.291 0.568 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C(=O)OC)C(C)C ZINC000602430728 349535127 /nfs/dbraw/zinc/53/51/27/349535127.db2.gz OXZPAGLCOZPDCP-RKDXNWHRSA-N 0 3 230.308 0.298 20 0 BCADHN O=C(NC1CCC1)[C@@H]1CNCCC1(F)F ZINC000390747026 398246978 /nfs/dbraw/zinc/24/69/78/398246978.db2.gz AFCUZGIGHOFGTB-QMMMGPOBSA-N 0 3 218.247 0.900 20 0 BCADHN Cn1cc(NC(=O)[C@@H]2NCC2(C)C)cn1 ZINC000390747708 398247030 /nfs/dbraw/zinc/24/70/30/398247030.db2.gz BEUVKLNWCZNKNN-QMMMGPOBSA-N 0 3 208.265 0.357 20 0 BCADHN COc1cc(C(=O)NC[C@H]2CCN(C)C2)on1 ZINC000184099623 398252361 /nfs/dbraw/zinc/25/23/61/398252361.db2.gz MSECEAASPHUGOL-MRVPVSSYSA-N 0 3 239.275 0.365 20 0 BCADHN COC(=O)CC1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000576679851 365655447 /nfs/dbraw/zinc/65/54/47/365655447.db2.gz WCFWVAFENAIPHK-GHMZBOCLSA-N 0 3 243.303 0.021 20 0 BCADHN CCN(CC(=O)N(C)C)C(=O)[C@@H](N)CC(C)C ZINC000036200305 398257530 /nfs/dbraw/zinc/25/75/30/398257530.db2.gz YGIAAHVWWBPQCH-JTQLQIEISA-N 0 3 243.351 0.297 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCC(CCO)CC1 ZINC000401054580 259311084 /nfs/dbraw/zinc/31/10/84/259311084.db2.gz ZWPBHBBUVOOLFT-JQWIXIFHSA-N 0 3 242.363 0.981 20 0 BCADHN O=S(=O)([N-]CC[NH2+]C1CC1)c1ccco1 ZINC000381627795 398254776 /nfs/dbraw/zinc/25/47/76/398254776.db2.gz MUHWVEJIDHNEKS-UHFFFAOYSA-N 0 3 230.289 0.310 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N[C@H]1CC=CCC1 ZINC000517753660 259311560 /nfs/dbraw/zinc/31/15/60/259311560.db2.gz QJQKBOYVCPJZFC-VHSXEESVSA-N 0 3 240.303 0.492 20 0 BCADHN CNCC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000576753107 365676328 /nfs/dbraw/zinc/67/63/28/365676328.db2.gz NHXWRIXJPFAFCE-UHFFFAOYSA-N 0 3 245.286 0.640 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@](C)(CC)C(=O)OC ZINC000602449767 349550467 /nfs/dbraw/zinc/55/04/67/349550467.db2.gz RYXYTUBSBIXXRU-KCJUWKMLSA-N 0 3 230.308 0.442 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)CSC ZINC000602452415 349552723 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/nfs/dbraw/zinc/37/43/51/168374351.db2.gz VJMRRDFHZJXPFM-UHFFFAOYSA-N 0 3 202.298 0.609 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@H](C)SC ZINC000602485632 349567843 /nfs/dbraw/zinc/56/78/43/349567843.db2.gz OMXXTTZHWDHLKN-HTQZYQBOSA-N 0 3 204.339 0.852 20 0 BCADHN COCCNCCNC(=O)N1CCC[C@H]1C ZINC000418483888 192040372 /nfs/dbraw/zinc/04/03/72/192040372.db2.gz CMBYDJVTYPPAPA-SNVBAGLBSA-N 0 3 229.324 0.416 20 0 BCADHN O=C(Nc1nc2c(s1)CCC2)[C@H]1CCN1 ZINC000381629450 398267653 /nfs/dbraw/zinc/26/76/53/398267653.db2.gz OIYOCRAHDABSDP-SSDOTTSWSA-N 0 3 223.301 0.932 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N1CC[C@H](OC)C1 ZINC000213940746 349560729 /nfs/dbraw/zinc/56/07/29/349560729.db2.gz HSBRYILGLUJYAH-KXUCPTDWSA-N 0 3 214.309 0.607 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@](C)(CCF)C(=O)OC ZINC000602520166 349575057 /nfs/dbraw/zinc/57/50/57/349575057.db2.gz FWQJZVXVODPDAL-KWQFWETISA-N 0 3 248.298 0.392 20 0 BCADHN Cc1ccc(C(=O)N2CC[C@H]([NH3+])C2)c([O-])c1 ZINC000050228742 178397513 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ZINC000630052791 361920795 /nfs/dbraw/zinc/92/07/95/361920795.db2.gz YSKOFPWLUQRVRX-UHFFFAOYSA-N 0 3 230.275 0.276 20 0 BCADHN CCc1cc(N2CCO[C@H](CC(N)=O)C2)ccn1 ZINC000624704850 342821742 /nfs/dbraw/zinc/82/17/42/342821742.db2.gz AUWZVGOPDWXXCZ-GFCCVEGCSA-N 0 3 249.314 0.725 20 0 BCADHN C[C@H]1CC(F)(F)CCN1c1nc(N)nc(N)n1 ZINC000624637465 342805989 /nfs/dbraw/zinc/80/59/89/342805989.db2.gz GFSCTJILEXRZAE-YFKPBYRVSA-N 0 3 244.249 0.321 20 0 BCADHN CCN(CCO)CCNC(=O)NCCC1CC1 ZINC000187335711 538975912 /nfs/dbraw/zinc/97/59/12/538975912.db2.gz RGQVXLKONIQKTG-UHFFFAOYSA-N 0 3 243.351 0.400 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2CN(C)C(=O)O2)C[C@@H]1O ZINC000496878285 529395459 /nfs/dbraw/zinc/39/54/59/529395459.db2.gz YXVDSTSBSJCMRE-UTLUCORTSA-N 0 3 228.292 0.140 20 0 BCADHN CCN(C)CCNC(=O)CCc1cnn(C)c1 ZINC000066949057 361925595 /nfs/dbraw/zinc/92/55/95/361925595.db2.gz XVUBSXDSQKQYEG-UHFFFAOYSA-N 0 3 238.335 0.421 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCNC(C)(C)C1 ZINC000335621902 136240138 /nfs/dbraw/zinc/24/01/38/136240138.db2.gz BQNWFKPYVCDEPM-VIFPVBQESA-N 0 3 225.336 0.337 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCC[C@@H]1O ZINC000634413157 361935971 /nfs/dbraw/zinc/93/59/71/361935971.db2.gz YIJCZZGNYSYBCW-USZNOCQGSA-N 0 3 240.347 0.889 20 0 BCADHN Cc1ncccc1CNC[C@@](C)(O)CO ZINC000379875672 538980889 /nfs/dbraw/zinc/98/08/89/538980889.db2.gz SPKFIUCQSOYHHS-LLVKDONJSA-N 0 3 210.277 0.223 20 0 BCADHN O=C(N[C@H]1CCCSC1)N1CCCNCC1 ZINC000335620852 136239480 /nfs/dbraw/zinc/23/94/80/136239480.db2.gz GWMUNXPQSBLZDW-JTQLQIEISA-N 0 3 243.376 0.887 20 0 BCADHN CNC(=O)[C@H]1CCCN1C[C@@H](C)COC ZINC000189752070 538984701 /nfs/dbraw/zinc/98/47/01/538984701.db2.gz FYOMSGXRININJL-NXEZZACHSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@H](CO)CN[C@H](CCO)c1ccco1 ZINC000380115670 538985198 /nfs/dbraw/zinc/98/51/98/538985198.db2.gz PKAKWECRQCEMIX-VHSXEESVSA-N 0 3 213.277 0.921 20 0 BCADHN CCOC[C@@H](O)CNCc1cc(C)ccn1 ZINC000393940141 344005604 /nfs/dbraw/zinc/00/56/04/344005604.db2.gz 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O=C(CNC1(CO)CCCCC1)N1CCC1 ZINC000381791922 539007719 /nfs/dbraw/zinc/00/77/19/539007719.db2.gz AFZJDPYRZXFTNQ-UHFFFAOYSA-N 0 3 226.320 0.504 20 0 BCADHN Cc1cc(=O)n(C[C@@H](O)CN(C)C2CC2)cn1 ZINC000383257167 539011520 /nfs/dbraw/zinc/01/15/20/539011520.db2.gz HDZKPCCGFKOHCU-NSHDSACASA-N 0 3 237.303 0.007 20 0 BCADHN CC[C@@H](N)C(=O)Nc1nnc(C)s1 ZINC000127077002 342836128 /nfs/dbraw/zinc/83/61/28/342836128.db2.gz KCUXHLBZZFLYME-RXMQYKEDSA-N 0 3 200.267 0.522 20 0 BCADHN COCCCN(C)C[C@@H]1CCC(=O)N1 ZINC000649497787 398295759 /nfs/dbraw/zinc/29/57/59/398295759.db2.gz SBPQRDFDTHSNRC-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000402105321 349626775 /nfs/dbraw/zinc/62/67/75/349626775.db2.gz VHCNEDUVOXTUAF-QXEWZRGKSA-N 0 3 214.309 0.798 20 0 BCADHN COC[C@](C)(O)CNCc1ccc(O)cc1 ZINC000390547132 539025983 /nfs/dbraw/zinc/02/59/83/539025983.db2.gz NEDXEEJVPDYFFY-GFCCVEGCSA-N 0 3 225.288 0.879 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H](CO)CC1CC1 ZINC000390513252 539026151 /nfs/dbraw/zinc/02/61/51/539026151.db2.gz CGUTXDYKMSKCBC-KOLCDFICSA-N 0 3 249.376 0.560 20 0 BCADHN OCC1(CNCc2cn[nH]c2)CCOCC1 ZINC000390820757 539027548 /nfs/dbraw/zinc/02/75/48/539027548.db2.gz WVSWYLKERLKVMT-UHFFFAOYSA-N 0 3 225.292 0.288 20 0 BCADHN CN(CCC(=O)NC(N)=O)Cc1cccs1 ZINC000011208338 342839887 /nfs/dbraw/zinc/83/98/87/342839887.db2.gz OTKNFTHHWZTAAO-UHFFFAOYSA-N 0 3 241.316 0.765 20 0 BCADHN CC(=O)Cn1cc(-c2cccc(CN)c2)nn1 ZINC000640753155 361990309 /nfs/dbraw/zinc/99/03/09/361990309.db2.gz AAYUVIGESQBVPJ-UHFFFAOYSA-N 0 3 230.271 0.993 20 0 BCADHN CC(=O)Cn1cc(CNC2CCCC2)nn1 ZINC000640753862 361991626 /nfs/dbraw/zinc/99/16/26/361991626.db2.gz ORRLSVIBMAATGP-UHFFFAOYSA-N 0 3 222.292 0.899 20 0 BCADHN CCN(C[C@H]1CCCO1)C[C@@H]1CCC(=O)N1 ZINC000649502888 398300304 /nfs/dbraw/zinc/30/03/04/398300304.db2.gz YBAXQBMCHWJGBH-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN CC(=O)Nc1cccc(NC(=O)[C@H](C)N)c1 ZINC000011957790 342845235 /nfs/dbraw/zinc/84/52/35/342845235.db2.gz GNXTXCCUWLPMFA-ZETCQYMHSA-N 0 3 221.260 0.931 20 0 BCADHN COC(=O)CCCN(CC(N)=O)C1CCCC1 ZINC000042429941 361998018 /nfs/dbraw/zinc/99/80/18/361998018.db2.gz CQKMDYMTYOCPRL-UHFFFAOYSA-N 0 3 242.319 0.670 20 0 BCADHN CCCN(C(=O)CN1CCNCC1)C1CC1 ZINC000037097660 398300979 /nfs/dbraw/zinc/30/09/79/398300979.db2.gz FTMFQWIMMBEIMX-UHFFFAOYSA-N 0 3 225.336 0.293 20 0 BCADHN CC(C)CN(C)C(=O)CN1CCNCC1 ZINC000037109040 398301273 /nfs/dbraw/zinc/30/12/73/398301273.db2.gz QCSFRCXJUYJGQI-UHFFFAOYSA-N 0 3 213.325 0.006 20 0 BCADHN CCN(CC(C)C)C(=O)CN1CCNCC1 ZINC000037112043 398301397 /nfs/dbraw/zinc/30/13/97/398301397.db2.gz HOXQAPILHMDPKV-UHFFFAOYSA-N 0 3 227.352 0.396 20 0 BCADHN O[C@@H]1CCCN(CCOC2CCOCC2)C1 ZINC000625066117 342847907 /nfs/dbraw/zinc/84/79/07/342847907.db2.gz UJKQAUCGKGLYIM-LLVKDONJSA-N 0 3 229.320 0.639 20 0 BCADHN CC[C@H]1[C@H](CO)CCN1CC(=O)NC(C)(C)C ZINC000385766345 342849101 /nfs/dbraw/zinc/84/91/01/342849101.db2.gz GDZWMDPUNOTAAD-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN CCNC(=O)C(C)(C)NC[C@@H]1CCCO1 ZINC000312816229 259326309 /nfs/dbraw/zinc/32/63/09/259326309.db2.gz CWWMAMLBNJVHFU-VIFPVBQESA-N 0 3 214.309 0.670 20 0 BCADHN O[C@H](CN1CCSCC1)CC1(O)CCC1 ZINC000625081894 342850148 /nfs/dbraw/zinc/85/01/48/342850148.db2.gz FYUQVGJVFSDXON-JTQLQIEISA-N 0 3 231.361 0.701 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCO[C@@H](C)[C@@H]2C)C1 ZINC000517757399 259326325 /nfs/dbraw/zinc/32/63/25/259326325.db2.gz QEBLHMAIZZWJON-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN CO[C@H](C(=O)NCC1=CCN(C)CC1)C1CC1 ZINC000350779196 398302084 /nfs/dbraw/zinc/30/20/84/398302084.db2.gz AFJAGSIPFONLBZ-LBPRGKRZSA-N 0 3 238.331 0.790 20 0 BCADHN CNCC(=O)Nc1ccc(CC(=O)NC)cc1 ZINC000037027987 398300050 /nfs/dbraw/zinc/30/00/50/398300050.db2.gz CKMGQVYZTUNUFD-UHFFFAOYSA-N 0 3 235.287 0.133 20 0 BCADHN CN1CCC[C@H](NC(=O)NCc2cccnc2)C1 ZINC000059877400 342873978 /nfs/dbraw/zinc/87/39/78/342873978.db2.gz ZXAMCAVXNUWHLI-LBPRGKRZSA-N 0 3 248.330 0.975 20 0 BCADHN CN(CCNC(=O)NCCCF)C1CC1 ZINC000532264945 398308764 /nfs/dbraw/zinc/30/87/64/398308764.db2.gz IWYVNJYHMDKTEU-UHFFFAOYSA-N 0 3 217.288 0.739 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000583993988 342856239 /nfs/dbraw/zinc/85/62/39/342856239.db2.gz HEHNXTXVJJGXEL-RCZSTQMZSA-N 0 3 215.293 0.556 20 0 BCADHN CCN(CCOC)C[C@H](O)CC1(O)CCC1 ZINC000625101569 342856712 /nfs/dbraw/zinc/85/67/12/342856712.db2.gz QVPLXZNKYRXMCB-LLVKDONJSA-N 0 3 231.336 0.621 20 0 BCADHN CC(C)N(CCO)CCc1cn(C)nn1 ZINC000625104438 342857433 /nfs/dbraw/zinc/85/74/33/342857433.db2.gz QCQUOYCTNQFPDB-UHFFFAOYSA-N 0 3 212.297 0.060 20 0 BCADHN C[C@H](Cc1cnccn1)N[C@@H](C)C[S@@](C)=O ZINC000602607920 349631199 /nfs/dbraw/zinc/63/11/99/349631199.db2.gz KXNZCFLXWXINOO-KCWFYHRYSA-N 0 3 241.360 0.764 20 0 BCADHN OC[C@H]1CCCN1CCOC1CCOCC1 ZINC000625107745 342860579 /nfs/dbraw/zinc/86/05/79/342860579.db2.gz WGLPSOSRJVYFMA-LLVKDONJSA-N 0 3 229.320 0.639 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCC[C@H](OC)C1 ZINC000299999985 342880088 /nfs/dbraw/zinc/88/00/88/342880088.db2.gz GQFLOSOQOWFVBV-QWRGUYRKSA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)N ZINC000034185416 342880226 /nfs/dbraw/zinc/88/02/26/342880226.db2.gz YXRMSKDLRGNVGS-JGVFFNPUSA-N 0 3 216.281 0.038 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)CC(N)=O ZINC000331805417 398312427 /nfs/dbraw/zinc/31/24/27/398312427.db2.gz XZXLYVSLTRASBR-UHFFFAOYSA-N 0 3 213.281 0.464 20 0 BCADHN CCO[C@H](CN1CCNC(=O)CC1)C1CC1 ZINC000625136941 342887722 /nfs/dbraw/zinc/88/77/22/342887722.db2.gz VBKWBSKQGXYAAO-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN Cn1cc(CCN2CCC[C@H](CCO)C2)nn1 ZINC000625137251 342888054 /nfs/dbraw/zinc/88/80/54/342888054.db2.gz DMQAOZYYCRZIQP-LLVKDONJSA-N 0 3 238.335 0.452 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCN1CCCO ZINC000650587245 398313876 /nfs/dbraw/zinc/31/38/76/398313876.db2.gz JCIGUNAEXJAXNG-UTUOFQBUSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H](CO)N[C@@H]1CCCc2c1cnn2C ZINC000035602133 342889891 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213.306 0.676 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)[C@@H]1CCCNC(=O)C1 ZINC000602615668 349638378 /nfs/dbraw/zinc/63/83/78/349638378.db2.gz RJPSAGRRYMFLFL-XIZWVBILSA-N 0 3 246.376 0.354 20 0 BCADHN COC(=O)CCCN1CCC(O)CC1 ZINC000037286305 342926448 /nfs/dbraw/zinc/92/64/48/342926448.db2.gz HNTYVQHJJROBFN-UHFFFAOYSA-N 0 3 201.266 0.396 20 0 BCADHN CN(C)C(=O)CCCNC[C@@H](O)C(F)(F)F ZINC000234216039 342918812 /nfs/dbraw/zinc/91/88/12/342918812.db2.gz ZOESFGGQQPNVKI-SSDOTTSWSA-N 0 3 242.241 0.368 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)CC[C@@H](C)O ZINC000219798850 342920432 /nfs/dbraw/zinc/92/04/32/342920432.db2.gz BWWGKCLVFCAFKX-NXEZZACHSA-N 0 3 233.308 0.003 20 0 BCADHN COC(=O)C1(CNCc2snnc2C)CC1 ZINC000602622978 349641193 /nfs/dbraw/zinc/64/11/93/349641193.db2.gz KYDOXODGGYUGDR-UHFFFAOYSA-N 0 3 241.316 0.889 20 0 BCADHN CC[C@H]1CN(C(=O)C2(N)CCCC2)CCO1 ZINC000037479516 398328297 /nfs/dbraw/zinc/32/82/97/398328297.db2.gz YTDBZTBRYVPAIL-JTQLQIEISA-N 0 3 226.320 0.895 20 0 BCADHN CC1(C)CN(C(=O)C2(N)CCCC2)CCO1 ZINC000037479544 398328302 /nfs/dbraw/zinc/32/83/02/398328302.db2.gz KBDKEUQNCPPAND-UHFFFAOYSA-N 0 3 226.320 0.895 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@@H]1c1noc(C)n1 ZINC000494868872 529441794 /nfs/dbraw/zinc/44/17/94/529441794.db2.gz QAQIARWNZWYYLE-DTWKUNHWSA-N 0 3 238.291 0.779 20 0 BCADHN C[C@H](N)C(=O)NCC(=O)Nc1ccccc1 ZINC000011953875 346883553 /nfs/dbraw/zinc/88/35/53/346883553.db2.gz NPUVGMQBLGRRLI-QMMMGPOBSA-N 0 3 221.260 0.089 20 0 BCADHN CC[C@]1(O)CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000495244201 529442397 /nfs/dbraw/zinc/44/23/97/529442397.db2.gz RBASVGJVOFTNGH-SFYZADRCSA-N 0 3 227.226 0.756 20 0 BCADHN CC[C@H](N)C(=O)Nc1cn(C)c(=O)cc1C ZINC000491066034 529443291 /nfs/dbraw/zinc/44/32/91/529443291.db2.gz ICPNTCCAHXIVMI-QMMMGPOBSA-N 0 3 223.276 0.370 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000650598353 398329174 /nfs/dbraw/zinc/32/91/74/398329174.db2.gz OJAZDFSXFGIZBF-GRYCIOLGSA-N 0 3 240.347 0.605 20 0 BCADHN 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ZINC000011958066 346885839 /nfs/dbraw/zinc/88/58/39/346885839.db2.gz IBPBHJCVXUJDFI-LURJTMIESA-N 0 3 208.217 0.701 20 0 BCADHN Cn1ccc(NC(=O)CNCC2CC2)n1 ZINC000037478462 342937150 /nfs/dbraw/zinc/93/71/50/342937150.db2.gz TVRFFVZABSEDKQ-UHFFFAOYSA-N 0 3 208.265 0.358 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CCOCC1 ZINC000037480365 342937248 /nfs/dbraw/zinc/93/72/48/342937248.db2.gz IBVCCHMTEXIEBL-SECBINFHSA-N 0 3 200.282 0.363 20 0 BCADHN O=C(N[C@H]1C=CCCC1)[C@@H]1CN2CCN1CCC2 ZINC000560339471 398333488 /nfs/dbraw/zinc/33/34/88/398333488.db2.gz MCOSYQSKFZFJAZ-STQMWFEESA-N 0 3 249.358 0.601 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCOCC1 ZINC000037481137 342937923 /nfs/dbraw/zinc/93/79/23/342937923.db2.gz RCRTXVGMWXOPCK-JTQLQIEISA-N 0 3 200.282 0.363 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H](C)COC ZINC000037481207 342937967 /nfs/dbraw/zinc/93/79/67/342937967.db2.gz ZCGNIKDQEJWYNN-WPRPVWTQSA-N 0 3 202.298 0.655 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](C)COC ZINC000037481209 342938021 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CCN1CCCC[C@@H]1C(=O)NCc1cnc[nH]1 ZINC000359123051 187215929 /nfs/dbraw/zinc/21/59/29/187215929.db2.gz RFMFLANLXBRDPD-LLVKDONJSA-N 0 3 236.319 0.900 20 0 BCADHN CCN(C#N)CCN1CCC[C@H]([C@H](C)O)C1 ZINC000602798633 349740033 /nfs/dbraw/zinc/74/00/33/349740033.db2.gz QXUPQBYPXCZELN-RYUDHWBXSA-N 0 3 225.336 0.882 20 0 BCADHN CCN(C#N)CCN1CCC[C@H]([C@@H](C)O)C1 ZINC000602798630 349740068 /nfs/dbraw/zinc/74/00/68/349740068.db2.gz QXUPQBYPXCZELN-NEPJUHHUSA-N 0 3 225.336 0.882 20 0 BCADHN c1cnc(N2CCN(C[C@@H]3CCOC3)CC2)nn1 ZINC000625640914 344022944 /nfs/dbraw/zinc/02/29/44/344022944.db2.gz WHMPOYSUWNPHCU-NSHDSACASA-N 0 3 249.318 0.030 20 0 BCADHN CCN(C#N)CCN1C[C@H](C(N)=O)CC[C@H]1C ZINC000602772185 349726052 /nfs/dbraw/zinc/72/60/52/349726052.db2.gz KZBNGUNDNJDQSQ-GHMZBOCLSA-N 0 3 238.335 0.375 20 0 BCADHN COC(=O)CCCC(=O)N(C)CCN(C)C ZINC000359937583 187216800 /nfs/dbraw/zinc/21/68/00/187216800.db2.gz JDKJOWDDVQRFTG-UHFFFAOYSA-N 0 3 230.308 0.350 20 0 BCADHN COC(=O)CNC(=O)CNC1CC2(CCC2)C1 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187252561 /nfs/dbraw/zinc/25/25/61/187252561.db2.gz CHOKAYASNMPFEI-NSHDSACASA-N 0 3 221.304 0.724 20 0 BCADHN Cc1cccc(CNC[C@H](O)Cn2cccn2)n1 ZINC000051576062 343259029 /nfs/dbraw/zinc/25/90/29/343259029.db2.gz BMGSMNFSCRYTJP-ZDUSSCGKSA-N 0 3 246.314 0.737 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCCC2)C[C@H]1CO ZINC000621363762 343267693 /nfs/dbraw/zinc/26/76/93/343267693.db2.gz WYYINZPCMXINNT-RYUDHWBXSA-N 0 3 240.347 0.559 20 0 BCADHN COC(=O)CCN1CCSC[C@H]1C ZINC000069761130 343290871 /nfs/dbraw/zinc/29/08/71/343290871.db2.gz UCLSRXCIIDTBDJ-MRVPVSSYSA-N 0 3 203.307 0.987 20 0 BCADHN C[C@H](CNCCc1ccco1)S(C)(=O)=O ZINC000569803353 323041061 /nfs/dbraw/zinc/04/10/61/323041061.db2.gz OTRIEMLWZYKYRC-SECBINFHSA-N 0 3 231.317 0.845 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCCN(C)CC1 ZINC000020217843 343280068 /nfs/dbraw/zinc/28/00/68/343280068.db2.gz BESCCYVNRMPBFO-MNOVXSKESA-N 0 3 227.352 0.524 20 0 BCADHN COC[C@H](O)CNCc1cncs1 ZINC000070589978 343333536 /nfs/dbraw/zinc/33/35/36/343333536.db2.gz 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Cn1nncc1CN1CCC[C@@]1(C)CCCO ZINC000349143491 136324579 /nfs/dbraw/zinc/32/45/79/136324579.db2.gz BMJDEHHQXDICLK-LBPRGKRZSA-N 0 3 238.335 0.942 20 0 BCADHN C[C@@H]1C[C@@H](NCc2cnnn2C)[C@@H](C)O1 ZINC000395048347 362188322 /nfs/dbraw/zinc/18/83/22/362188322.db2.gz LNHRVNUUBLMYOB-NQMVMOMDSA-N 0 3 210.281 0.471 20 0 BCADHN CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)CN)c1C ZINC000274390898 187338559 /nfs/dbraw/zinc/33/85/59/187338559.db2.gz CZKADBGRVLFOEU-ZCFIWIBFSA-N 0 3 237.303 0.911 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000040430933 343402584 /nfs/dbraw/zinc/40/25/84/343402584.db2.gz XFYBZUXCROCCGL-PWSUYJOCSA-N 0 3 235.331 0.753 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000040460037 343404789 /nfs/dbraw/zinc/40/47/89/343404789.db2.gz SNCFIPINCWVTDM-GUBZILKMSA-N 0 3 246.376 0.751 20 0 BCADHN O=C(CNC1CC1)NCc1cccc2c1OCO2 ZINC000040667864 343408025 /nfs/dbraw/zinc/40/80/25/343408025.db2.gz LFGBMUMVAUNVRL-UHFFFAOYSA-N 0 3 248.282 0.784 20 0 BCADHN CN1C[C@@H](NC[C@@H](O)CC2CCCC2)CC1=O ZINC000310309182 343423671 /nfs/dbraw/zinc/42/36/71/343423671.db2.gz WCYQZBGUBNKXPH-RYUDHWBXSA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCCn1ccnc1 ZINC000041051010 343414295 /nfs/dbraw/zinc/41/42/95/343414295.db2.gz GSJVCWRYWKUQSV-ZJUUUORDSA-N 0 3 224.308 0.373 20 0 BCADHN COC[C@@H]1CCN(C[C@H](O)C(F)(F)F)C1 ZINC000081108895 343416729 /nfs/dbraw/zinc/41/67/29/343416729.db2.gz KINBWDKHOIXILH-SFYZADRCSA-N 0 3 227.226 0.878 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2(O)CCC2)CCN1C ZINC000335680720 136328669 /nfs/dbraw/zinc/32/86/69/136328669.db2.gz KSNFNDKGXQAZAQ-ZJUUUORDSA-N 0 3 226.320 0.500 20 0 BCADHN C[C@H]1C(=O)NCCCN1C[C@@H]1CCCOC1 ZINC000335679629 136320057 /nfs/dbraw/zinc/32/00/57/136320057.db2.gz ITVZBXNUIIXZRV-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](NC[C@H]1C[C@@H](O)C1)c1cnn(C)c1 ZINC000624218994 343420981 /nfs/dbraw/zinc/42/09/81/343420981.db2.gz HXGCWARZETYCSE-KKZNHRDASA-N 0 3 209.293 0.842 20 0 BCADHN O=C([C@@H]1CCCO1)N1CC[C@@H](N2CCCC2)C1 ZINC000041568301 343421371 /nfs/dbraw/zinc/42/13/71/343421371.db2.gz BMJDIQANQRTLIB-NEPJUHHUSA-N 0 3 238.331 0.862 20 0 BCADHN CCN(CC1CC1)C(=O)CCOC1CNC1 ZINC000349054610 136320917 /nfs/dbraw/zinc/32/09/17/136320917.db2.gz OHIKKVMAASIJAK-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@H](C)CN(C)C(=O)CCOC1CNC1 ZINC000349046741 136321069 /nfs/dbraw/zinc/32/10/69/136321069.db2.gz GJZLTYSIRADTRS-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)CCOC1CNC1 ZINC000349046742 136321261 /nfs/dbraw/zinc/32/12/61/136321261.db2.gz GJZLTYSIRADTRS-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1ccc(CNC(=O)CCOC2CNC2)cc1 ZINC000349063618 136321272 /nfs/dbraw/zinc/32/12/72/136321272.db2.gz YSDRCEUPFGQFOS-UHFFFAOYSA-N 0 3 248.326 0.990 20 0 BCADHN CC(C)[C@@H](N)c1cn(Cc2ccnn2C)nn1 ZINC000641092792 362219810 /nfs/dbraw/zinc/21/98/10/362219810.db2.gz VWFKTQNHCNULMC-LLVKDONJSA-N 0 3 234.307 0.716 20 0 BCADHN CCCC(=O)NCCN(C)CCOC ZINC000082384134 343440825 /nfs/dbraw/zinc/44/08/25/343440825.db2.gz UXDCQNLBMFKNEB-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN O=C(CN1CCC[C@H]2COCC[C@@H]21)NC1CC1 ZINC000335723762 136346586 /nfs/dbraw/zinc/34/65/86/136346586.db2.gz ISJDTRFNZAEMKK-JQWIXIFHSA-N 0 3 238.331 0.766 20 0 BCADHN c1cn(CCN2CCC[C@H]3COC[C@H]32)cn1 ZINC000367093850 136350331 /nfs/dbraw/zinc/35/03/31/136350331.db2.gz VIKBFQRDSJVDSQ-NWDGAFQWSA-N 0 3 221.304 0.994 20 0 BCADHN C[C@@H]1CC[C@H](N(C)CC(=O)NC(N)=O)C1 ZINC000335816967 136352670 /nfs/dbraw/zinc/35/26/70/136352670.db2.gz AQBWVAPWOFREJR-SFYZADRCSA-N 0 3 213.281 0.302 20 0 BCADHN CC(C)[C@H]1CN([C@@H]2CCCNC2=O)CCN1C ZINC000335681438 136328966 /nfs/dbraw/zinc/32/89/66/136328966.db2.gz BDVUVMCAGNUJIB-VXGBXAGGSA-N 0 3 239.363 0.537 20 0 BCADHN O=C1NCC[C@H]1N[C@H]1Cc2cccc(O)c2C1 ZINC000335685217 136329810 /nfs/dbraw/zinc/32/98/10/136329810.db2.gz CSXLUSYAOXMTCI-GXSJLCMTSA-N 0 3 232.283 0.338 20 0 BCADHN CC1(C)CC[C@@H](CN(CCO)CCO)O1 ZINC000166281949 136331385 /nfs/dbraw/zinc/33/13/85/136331385.db2.gz AVHKOZYIOBTJFH-JTQLQIEISA-N 0 3 217.309 0.231 20 0 BCADHN C[C@H]1C[C@H](C(=O)N(C)C2CCN(C)CC2)CO1 ZINC000335853640 344032699 /nfs/dbraw/zinc/03/26/99/344032699.db2.gz LFBVAOLTCWZXCN-QWRGUYRKSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)N1C(=O)CN(C(=O)[C@H](C)N)CC1(C)C ZINC000335705444 136335557 /nfs/dbraw/zinc/33/55/57/136335557.db2.gz VFUUPLDHWXRHRZ-VIFPVBQESA-N 0 3 241.335 0.191 20 0 BCADHN CC(C)[C@@H](O)Cn1cc(CCN(C)C)nn1 ZINC000641081114 362195870 /nfs/dbraw/zinc/19/58/70/362195870.db2.gz BVLJNIULIQEFGS-NSHDSACASA-N 0 3 226.324 0.399 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)NC2CCN(C)CC2)CO1 ZINC000335715010 136338659 /nfs/dbraw/zinc/33/86/59/136338659.db2.gz NGWRAMZIGSXFPJ-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](CCN(C)C)N[C@@H](C)CS(C)(=O)=O ZINC000081900906 343433787 /nfs/dbraw/zinc/43/37/87/343433787.db2.gz FBOMVVZNLZZLBQ-UWVGGRQHSA-N 0 3 236.381 0.349 20 0 BCADHN COCC[C@@H](C)N[C@H](C)CS(C)(=O)=O ZINC000081901339 343434026 /nfs/dbraw/zinc/43/40/26/343434026.db2.gz IXSASRQEXMECFW-RKDXNWHRSA-N 0 3 223.338 0.434 20 0 BCADHN CN(CC(=O)NC(N)=O)[C@H]1CCC(C)(C)C1 ZINC000335715346 136339114 /nfs/dbraw/zinc/33/91/14/136339114.db2.gz GOMXDJJNZRRQBV-QMMMGPOBSA-N 0 3 227.308 0.692 20 0 BCADHN CN(CCN(C)C1CC1)Cc1cn(C)nn1 ZINC000349342610 136342118 /nfs/dbraw/zinc/34/21/18/136342118.db2.gz FDCPCNKPYHCEAL-UHFFFAOYSA-N 0 3 223.324 0.341 20 0 BCADHN Cn1cccc1CN[C@H]1CCC(=O)NC1 ZINC000082515301 343446249 /nfs/dbraw/zinc/44/62/49/343446249.db2.gz XFXQQVLPQXTMQB-VIFPVBQESA-N 0 3 207.277 0.393 20 0 BCADHN Cc1ncc(Cn2cc(CCN(C)C)nn2)cn1 ZINC000641155252 362241890 /nfs/dbraw/zinc/24/18/90/362241890.db2.gz VCBVHMGPVXNGEQ-UHFFFAOYSA-N 0 3 246.318 0.529 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)C1CC1 ZINC000135017559 343448870 /nfs/dbraw/zinc/44/88/70/343448870.db2.gz MXNQGDLKOSRGLG-VIFPVBQESA-N 0 3 201.266 0.395 20 0 BCADHN CCc1nc(Cn2cc([C@H](N)CC)nn2)n[nH]1 ZINC000641157936 362242569 /nfs/dbraw/zinc/24/25/69/362242569.db2.gz CEZKHLSDXMTWIK-SSDOTTSWSA-N 0 3 235.295 0.417 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCC[C@@H]1C ZINC000135021361 343450172 /nfs/dbraw/zinc/45/01/72/343450172.db2.gz KKQJMWSLJIQRIL-UWVGGRQHSA-N 0 3 215.293 0.785 20 0 BCADHN OC[C@@]1(F)CCCN(CC2(O)CCC2)C1 ZINC000335891026 136358622 /nfs/dbraw/zinc/35/86/22/136358622.db2.gz OCVOIRRUKSWGPY-SNVBAGLBSA-N 0 3 217.284 0.698 20 0 BCADHN COCC1(C)CCN([C@H]2CCN(C)C2=O)CC1 ZINC000335896596 136359218 /nfs/dbraw/zinc/35/92/18/136359218.db2.gz DOHFNVCEVUSZBJ-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN COCC1(C)CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000335896595 136359438 /nfs/dbraw/zinc/35/94/38/136359438.db2.gz DOHFNVCEVUSZBJ-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN Cn1cncc1CN1CC[C@@H](O)C1(C)C ZINC000335898618 136360058 /nfs/dbraw/zinc/36/00/58/136360058.db2.gz LLEWWLDRSARTLC-SNVBAGLBSA-N 0 3 209.293 0.765 20 0 BCADHN CC[C@H](N)c1cn([C@H]2CON(CC)C2=O)nn1 ZINC000641094706 362221958 /nfs/dbraw/zinc/22/19/58/362221958.db2.gz BIFQQGLSNHYNJD-CBAPKCEASA-N 0 3 239.279 0.023 20 0 BCADHN Cc1cnn(CCn2cc(CCN(C)C)nn2)c1 ZINC000641097432 362224063 /nfs/dbraw/zinc/22/40/63/362224063.db2.gz NGFOCOGUDBHXAJ-UHFFFAOYSA-N 0 3 248.334 0.587 20 0 BCADHN C[C@H]1COCCN1CCN1CCC[C@H](O)C1 ZINC000191407510 136362346 /nfs/dbraw/zinc/36/23/46/136362346.db2.gz DZYMJEQBHPVFIT-RYUDHWBXSA-N 0 3 228.336 0.164 20 0 BCADHN Cc1cccnc1CNC(=O)[C@]1(F)CCNC1 ZINC000166642138 136362628 /nfs/dbraw/zinc/36/26/28/136362628.db2.gz BFJMFWHXZIXVOP-LBPRGKRZSA-N 0 3 237.278 0.708 20 0 BCADHN O[C@H](CNC[C@H](O)C(F)(F)F)C1CC1 ZINC000082681176 343460089 /nfs/dbraw/zinc/46/00/89/343460089.db2.gz YEMWOWGLXWUUIS-RQJHMYQMSA-N 0 3 213.199 0.270 20 0 BCADHN CCNCc1cn(Cc2n[nH]c(CC)n2)nn1 ZINC000641158182 362244426 /nfs/dbraw/zinc/24/44/26/362244426.db2.gz HUQFJSGFXZXACU-UHFFFAOYSA-N 0 3 235.295 0.116 20 0 BCADHN CCNCc1cn(Cc2nnc(CC)[nH]2)nn1 ZINC000641158182 362244428 /nfs/dbraw/zinc/24/44/28/362244428.db2.gz HUQFJSGFXZXACU-UHFFFAOYSA-N 0 3 235.295 0.116 20 0 BCADHN CC[C@H](N)c1cn(C[C@@H](COC)OC)nn1 ZINC000641106455 362227113 /nfs/dbraw/zinc/22/71/13/362227113.db2.gz LTJQPXZPSTZVFM-IUCAKERBSA-N 0 3 228.296 0.349 20 0 BCADHN CN(C)CCc1cn(CCc2ccnn2C)nn1 ZINC000641114658 362228229 /nfs/dbraw/zinc/22/82/29/362228229.db2.gz FZWIRFXTTBRZMM-UHFFFAOYSA-N 0 3 248.334 0.358 20 0 BCADHN O[C@@H](CN[C@@H]1CCCOC1)C(F)(F)F ZINC000082681187 343460123 /nfs/dbraw/zinc/46/01/23/343460123.db2.gz FWKYTLAJVMSPEO-RQJHMYQMSA-N 0 3 213.199 0.678 20 0 BCADHN CCO[C@H]1COCC[C@H]1NCc1cnnn1C ZINC000351581114 136369412 /nfs/dbraw/zinc/36/94/12/136369412.db2.gz MROWSVRIMGDNGL-MNOVXSKESA-N 0 3 240.307 0.099 20 0 BCADHN c1cnn(CCN2CCc3n[nH]nc3C2)c1 ZINC000351608200 136369837 /nfs/dbraw/zinc/36/98/37/136369837.db2.gz MTXILTNQKGAHDD-UHFFFAOYSA-N 0 3 218.264 0.060 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CCCOC1 ZINC000351784626 136370399 /nfs/dbraw/zinc/37/03/99/136370399.db2.gz GEBTVGXUDXRIMW-QWRGUYRKSA-N 0 3 243.351 0.662 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCc1cscn1 ZINC000082626705 343457200 /nfs/dbraw/zinc/45/72/00/343457200.db2.gz KDBTWTAFLPQGPL-VIFPVBQESA-N 0 3 227.333 0.785 20 0 BCADHN CC(C)(N)C(=O)NCCc1cscn1 ZINC000082626768 343457219 /nfs/dbraw/zinc/45/72/19/343457219.db2.gz LSDGUCOSFGCKMM-UHFFFAOYSA-N 0 3 213.306 0.539 20 0 BCADHN CC(C)N(C)CC(=O)N(C)CCCCO ZINC000351792867 136370604 /nfs/dbraw/zinc/37/06/04/136370604.db2.gz ZCAVEXWUAWAWDS-UHFFFAOYSA-N 0 3 216.325 0.558 20 0 BCADHN C[C@@H](N[C@@H](C)Cn1cccn1)C(=O)N(C)C ZINC000042540538 343442434 /nfs/dbraw/zinc/44/24/34/343442434.db2.gz RXMMDSWEVOFKQD-VHSXEESVSA-N 0 3 224.308 0.338 20 0 BCADHN CN1CC[C@@H](C(=O)N2CC[C@@H](O)C2(C)C)C1 ZINC000258967463 136374239 /nfs/dbraw/zinc/37/42/39/136374239.db2.gz COKZIRMDHNTSDB-NXEZZACHSA-N 0 3 226.320 0.310 20 0 BCADHN CN1C[C@@H](N[C@H]2COC(C)(C)C2)CC1=O ZINC000335656300 136376264 /nfs/dbraw/zinc/37/62/64/136376264.db2.gz MAJDXVUCKIMCMQ-DTWKUNHWSA-N 0 3 212.293 0.374 20 0 BCADHN CN1C[C@@H](N[C@@H]2COC(C)(C)C2)CC1=O ZINC000335656301 136376385 /nfs/dbraw/zinc/37/63/85/136376385.db2.gz MAJDXVUCKIMCMQ-IUCAKERBSA-N 0 3 212.293 0.374 20 0 BCADHN CC[C@H](N)c1cn(Cc2ncc(C)cn2)nn1 ZINC000641145416 362238199 /nfs/dbraw/zinc/23/81/99/362238199.db2.gz IJYVXCYSSCIHIC-VIFPVBQESA-N 0 3 232.291 0.835 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1C[C@@]12CCOC2)N(C)C ZINC000616489215 343475041 /nfs/dbraw/zinc/47/50/41/343475041.db2.gz SADKYKGDFNVXTK-HOSYDEDBSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCC2)N(C)C ZINC000616489131 343475297 /nfs/dbraw/zinc/47/52/97/343475297.db2.gz NHFKOBPRFHGNEQ-VIFPVBQESA-N 0 3 236.319 0.509 20 0 BCADHN O[C@@H](CNC1CCOCC1)C(F)(F)F ZINC000082680831 343460274 /nfs/dbraw/zinc/46/02/74/343460274.db2.gz IIZXVWBTZZANLB-ZETCQYMHSA-N 0 3 213.199 0.678 20 0 BCADHN CCCN(C(=O)c1ncc[nH]1)[C@H]1CCN(C)C1 ZINC000616468424 343463077 /nfs/dbraw/zinc/46/30/77/343463077.db2.gz YKFQOMPNORDJTA-JTQLQIEISA-N 0 3 236.319 0.966 20 0 BCADHN CCC[C@](C)(N)C(=O)NCC[C@@H](C)O ZINC000082996207 343470193 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UOTKIXXUEYAQPB-JTQLQIEISA-N 0 3 228.292 0.141 20 0 BCADHN CN1C[C@@H](CN2CCC[C@H]2C(C)(C)O)OC1=O ZINC000496763911 529817374 /nfs/dbraw/zinc/81/73/74/529817374.db2.gz OSJJCQKPTJLSHN-UWVGGRQHSA-N 0 3 242.319 0.672 20 0 BCADHN CN1C[C@@H](CN2CCC[C@](C)(O)CC2)OC1=O ZINC000496715928 529817464 /nfs/dbraw/zinc/81/74/64/529817464.db2.gz DOHINJIYOZDVOT-JQWIXIFHSA-N 0 3 242.319 0.674 20 0 BCADHN CC(=O)C1(C(=O)N[C@H](C)CCN(C)C)CC1 ZINC000340306573 187347592 /nfs/dbraw/zinc/34/75/92/187347592.db2.gz JDMFGIMMJILLFC-SECBINFHSA-N 0 3 226.320 0.812 20 0 BCADHN CCN(CCOCCO)CC1(F)CC1 ZINC000584184434 343771638 /nfs/dbraw/zinc/77/16/38/343771638.db2.gz SSNIGNNWIXJAHT-UHFFFAOYSA-N 0 3 205.273 0.819 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCC[C@H]1CCO ZINC000187909080 259370997 /nfs/dbraw/zinc/37/09/97/259370997.db2.gz FRCQRTYYLNPJTL-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CCOC[C@@H](C)N[C@@H](C)CS(=O)(=O)CC ZINC000089638852 343748160 /nfs/dbraw/zinc/74/81/60/343748160.db2.gz DBULTLSREZXPET-ZJUUUORDSA-N 0 3 237.365 0.824 20 0 BCADHN CO[C@@]1(C)C[C@H]1NC(=O)NC[C@H]1CCCN1C ZINC000624389313 343748851 /nfs/dbraw/zinc/74/88/51/343748851.db2.gz WYEKNQFCMWSGRB-FOGDFJRCSA-N 0 3 241.335 0.557 20 0 BCADHN Cc1nc(C)c(CNC(=O)C2(N)CCC2)o1 ZINC000311883879 343754350 /nfs/dbraw/zinc/75/43/50/343754350.db2.gz XBBLFGCFSRVHJS-UHFFFAOYSA-N 0 3 223.276 0.789 20 0 BCADHN CCOC(=O)CCCCN(C)CCNC(C)=O ZINC000576871154 343761885 /nfs/dbraw/zinc/76/18/85/343761885.db2.gz ALZNBFTXGDVULQ-UHFFFAOYSA-N 0 3 244.335 0.788 20 0 BCADHN CCN(C[C@@H](O)CC1(O)CCC1)[C@H]1CCOC1 ZINC000625445055 343761906 /nfs/dbraw/zinc/76/19/06/343761906.db2.gz QNJGOCUMAPWJER-RYUDHWBXSA-N 0 3 243.347 0.763 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@H](CCO)C1 ZINC000061678807 343764635 /nfs/dbraw/zinc/76/46/35/343764635.db2.gz OGOYDVNRNOGGIA-ZJUUUORDSA-N 0 3 214.309 0.345 20 0 BCADHN CCc1ncncc1C(=O)NC[C@H]1CCCN1C ZINC000590318847 346977425 /nfs/dbraw/zinc/97/74/25/346977425.db2.gz NRZAADWZXDBSHK-SNVBAGLBSA-N 0 3 248.330 0.863 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000187909001 259371536 /nfs/dbraw/zinc/37/15/36/259371536.db2.gz FRCQRTYYLNPJTL-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CNC(=O)c1ccc(CNC[C@@H](O)C2CC2)cc1 ZINC000071302859 187275378 /nfs/dbraw/zinc/27/53/78/187275378.db2.gz WZEPEDQBIXETTK-CYBMUJFWSA-N 0 3 248.326 0.907 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644815164 537817442 /nfs/dbraw/zinc/81/74/42/537817442.db2.gz OTGSWPALSTYCBD-RCWTZXSCSA-N 0 3 208.305 0.805 20 0 BCADHN CNC(=O)CCN(C)Cc1cccnc1C ZINC000179412723 346984047 /nfs/dbraw/zinc/98/40/47/346984047.db2.gz WAQSNASRVIUSEY-UHFFFAOYSA-N 0 3 221.304 0.958 20 0 BCADHN NC(=O)CC1CCN(Cc2cnc[nH]2)CC1 ZINC000179437443 346984780 /nfs/dbraw/zinc/98/47/80/346984780.db2.gz VUOSMZSPGOQNTG-UHFFFAOYSA-N 0 3 222.292 0.497 20 0 BCADHN Cn1ccc(CN2CCC[C@@H](O)C2)cc1=O ZINC000051203914 346985246 /nfs/dbraw/zinc/98/52/46/346985246.db2.gz IAJZTOYNFYMLSW-LLVKDONJSA-N 0 3 222.288 0.342 20 0 BCADHN CCOCCCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644815477 537818762 /nfs/dbraw/zinc/81/87/62/537818762.db2.gz PIGKTOFNGHWGMZ-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](CCNC1CSC1)[S@@](C)=O ZINC000393339429 343834984 /nfs/dbraw/zinc/83/49/84/343834984.db2.gz TXKQNBHWXIVNFF-JVXZTZIISA-N 0 3 207.364 0.849 20 0 BCADHN CCc1nocc1Cn1cc(CCN(C)C)nn1 ZINC000641172230 362251127 /nfs/dbraw/zinc/25/11/27/362251127.db2.gz IPFABXKVPKDYDB-UHFFFAOYSA-N 0 3 249.318 0.981 20 0 BCADHN CNC(=O)OC[C@@H]1CCCCN1CC[C@H](C)O ZINC000496610105 529892263 /nfs/dbraw/zinc/89/22/63/529892263.db2.gz YIDHLRTUFZSJRJ-QWRGUYRKSA-N 0 3 244.335 0.968 20 0 BCADHN CNC(=O)OC[C@H]1CCCCN1C[C@@H](C)O ZINC000496071330 529892492 /nfs/dbraw/zinc/89/24/92/529892492.db2.gz XJFFDLUWTWEOAR-NXEZZACHSA-N 0 3 230.308 0.578 20 0 BCADHN CN(CCO)C(=O)[C@H]1CCCN1C1CC1 ZINC000494195487 529919399 /nfs/dbraw/zinc/91/93/99/529919399.db2.gz PGMSCKNWHISHRB-SNVBAGLBSA-N 0 3 212.293 0.064 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1CCc1cn(C)nn1 ZINC000625481719 343881921 /nfs/dbraw/zinc/88/19/21/343881921.db2.gz HKQWDDMKSMDVEJ-KOLCDFICSA-N 0 3 224.308 0.203 20 0 BCADHN C[C@@H](C(=O)NCCN(C)C1CC1)n1cncn1 ZINC000066924234 343884192 /nfs/dbraw/zinc/88/41/92/343884192.db2.gz HNTLDNXDYXAJCI-VIFPVBQESA-N 0 3 237.307 0.050 20 0 BCADHN CO[C@@H]1CCN(CCc2cn(C)nn2)C[C@H]1C ZINC000625457814 343860129 /nfs/dbraw/zinc/86/01/29/343860129.db2.gz QIUXCYXGOHFYJP-ZYHUDNBSSA-N 0 3 238.335 0.714 20 0 BCADHN CN1CC2(C1)CCN(C(=O)c1ccn[nH]1)C2 ZINC000683907539 488242937 /nfs/dbraw/zinc/24/29/37/488242937.db2.gz JXFDCFUGOZUFIV-UHFFFAOYSA-N 0 3 220.276 0.187 20 0 BCADHN CCO[C@@H](CN1CCC[C@@H]1C(N)=O)C1CC1 ZINC000625459908 343862938 /nfs/dbraw/zinc/86/29/38/343862938.db2.gz BUFKSQODLNAJOU-MNOVXSKESA-N 0 3 226.320 0.751 20 0 BCADHN Cc1nccnc1CN[C@H]1CCCC[C@H]1C(N)=O ZINC000621722182 343867968 /nfs/dbraw/zinc/86/79/68/343867968.db2.gz NPPDOHDTUVBXLX-MNOVXSKESA-N 0 3 248.330 0.919 20 0 BCADHN CCC[C@H](C)N(C)C(=O)NC[C@H]1CNCCO1 ZINC000418769030 192067115 /nfs/dbraw/zinc/06/71/15/192067115.db2.gz PFCSGPIIHSOJMV-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN COc1cncc(CNC(C)(C)CN(C)C)n1 ZINC000625465562 343871302 /nfs/dbraw/zinc/87/13/02/343871302.db2.gz IQLODQOQOPKSNI-UHFFFAOYSA-N 0 3 238.335 0.915 20 0 BCADHN CCO[C@H](CN[C@@H]1COC[C@@H]1OC)C1CC1 ZINC000625468625 343871823 /nfs/dbraw/zinc/87/18/23/343871823.db2.gz RAOGDFALIQHTQE-UTUOFQBUSA-N 0 3 229.320 0.805 20 0 BCADHN Cc1ncncc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000299350562 187353548 /nfs/dbraw/zinc/35/35/48/187353548.db2.gz CNIRLJHREWCUTJ-LLVKDONJSA-N 0 3 246.314 0.705 20 0 BCADHN CC[C@H](C)CN1CCN(CCO)CC1 ZINC000050428251 133507036 /nfs/dbraw/zinc/50/70/36/133507036.db2.gz BPNNRNSLEXVRAT-NSHDSACASA-N 0 3 200.326 0.642 20 0 BCADHN O[C@H](CN1C[C@@H]2C[C@H]1CS2)CC1(O)CCC1 ZINC000625468886 343874048 /nfs/dbraw/zinc/87/40/48/343874048.db2.gz XAGKGTJDRCAUKT-DCAQKATOSA-N 0 3 243.372 0.842 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCCOC1 ZINC000040469033 187354547 /nfs/dbraw/zinc/35/45/47/187354547.db2.gz HUKLVEYHOUEJTH-VHSXEESVSA-N 0 3 228.336 0.903 20 0 BCADHN CCO[C@@H](CN(C)CCNC(C)=O)C1CC1 ZINC000625507253 343898184 /nfs/dbraw/zinc/89/81/84/343898184.db2.gz GYSSSFKRGMRWHR-LBPRGKRZSA-N 0 3 228.336 0.869 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCOC1CCOCC1 ZINC000625507655 343898189 /nfs/dbraw/zinc/89/81/89/343898189.db2.gz MMBFEJQPPOVYMD-VXGBXAGGSA-N 0 3 245.319 0.185 20 0 BCADHN COCCN(C)CCNC(=O)c1occc1N ZINC000313144359 343902283 /nfs/dbraw/zinc/90/22/83/343902283.db2.gz RVXCGNNHTLWLRT-UHFFFAOYSA-N 0 3 241.291 0.170 20 0 BCADHN CN1CC[C@@H](CNC(=O)c2cn(C3CC3)nn2)C1 ZINC000624484818 343907171 /nfs/dbraw/zinc/90/71/71/343907171.db2.gz DCSAKLWLTZNIDK-VIFPVBQESA-N 0 3 249.318 0.295 20 0 BCADHN COc1nc(C(=O)NC[C@H]2CCN(C)C2)co1 ZINC000624484778 343907264 /nfs/dbraw/zinc/90/72/64/343907264.db2.gz CIQVYQONDBODTD-MRVPVSSYSA-N 0 3 239.275 0.365 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)NC[C@](C)(O)CN(C)C ZINC000387685807 347013522 /nfs/dbraw/zinc/01/35/22/347013522.db2.gz TXWLTEKEHULQJM-FOGDFJRCSA-N 0 3 228.336 0.461 20 0 BCADHN OC[C@H]1C[C@@H](NC[C@@H](O)C(F)(F)F)C1 ZINC000634724995 343945524 /nfs/dbraw/zinc/94/55/24/343945524.db2.gz DALYRNWMWPTGRC-DSYKOEDSSA-N 0 3 213.199 0.270 20 0 BCADHN Cn1cnc2c1ncnc2NC[C@H]1CCCN1C ZINC000624502657 343912671 /nfs/dbraw/zinc/91/26/71/343912671.db2.gz DTLOGWPQTWTTAA-SECBINFHSA-N 0 3 246.318 0.869 20 0 BCADHN C[C@H](O)CN(C[C@H](O)CC1(O)CCC1)C1CC1 ZINC000625519369 343916682 /nfs/dbraw/zinc/91/66/82/343916682.db2.gz VCOYJPSUXGWKPH-CMPLNLGQSA-N 0 3 243.347 0.498 20 0 BCADHN CC[C@@](C)(N)c1cn(CCc2cncn2C)nn1 ZINC000641176162 362254053 /nfs/dbraw/zinc/25/40/53/362254053.db2.gz WZJQBAZDXYINDJ-GFCCVEGCSA-N 0 3 248.334 0.838 20 0 BCADHN CCC[C@H](CCO)NC[C@H](C)S(C)(=O)=O ZINC000634723738 343920057 /nfs/dbraw/zinc/92/00/57/343920057.db2.gz BSXOCLHCAHLPFB-VHSXEESVSA-N 0 3 237.365 0.560 20 0 BCADHN CNC(C)(C)c1cn([C@H](C)c2n[nH]c(C)n2)nn1 ZINC000641178882 362255761 /nfs/dbraw/zinc/25/57/61/362255761.db2.gz DQCAYSFHPZRDMQ-SSDOTTSWSA-N 0 3 249.322 0.768 20 0 BCADHN CNC(C)(C)c1cn([C@H](C)c2nnc(C)[nH]2)nn1 ZINC000641178882 362255768 /nfs/dbraw/zinc/25/57/68/362255768.db2.gz DQCAYSFHPZRDMQ-SSDOTTSWSA-N 0 3 249.322 0.768 20 0 BCADHN CC(C)N(C)CC(=O)N(C)[C@H]1CCC[C@@H]1O ZINC000341790099 187355761 /nfs/dbraw/zinc/35/57/61/187355761.db2.gz NUCRWXHDPIBKRF-QWRGUYRKSA-N 0 3 228.336 0.698 20 0 BCADHN CCN(Cc1ccncc1)C[C@@H](O)COC ZINC000068891138 343928435 /nfs/dbraw/zinc/92/84/35/343928435.db2.gz CUGPXQJEPXUSIC-GFCCVEGCSA-N 0 3 224.304 0.911 20 0 BCADHN CCC(CC)(CN[C@@H]1CCNC1=O)C(=O)OC ZINC000192705013 365799750 /nfs/dbraw/zinc/79/97/50/365799750.db2.gz KYXDOFSDGLJSAJ-SECBINFHSA-N 0 3 242.319 0.444 20 0 BCADHN C[C@H]1CC[C@H](Cn2cc(CCN(C)C)nn2)O1 ZINC000641189381 362264110 /nfs/dbraw/zinc/26/41/10/362264110.db2.gz GJSLZTUWZWFSRB-CMPLNLGQSA-N 0 3 238.335 0.950 20 0 BCADHN CCN1CCC[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC000060416595 343935540 /nfs/dbraw/zinc/93/55/40/343935540.db2.gz KVNSXPITGFZCLH-NSHDSACASA-N 0 3 241.335 0.065 20 0 BCADHN C[C@H]1CCN(CC(=O)N2C[C@H](O)C(C)(C)C2)C1 ZINC000570582352 323063963 /nfs/dbraw/zinc/06/39/63/323063963.db2.gz UHNAEPYQVBMVSA-QWRGUYRKSA-N 0 3 240.347 0.558 20 0 BCADHN C/C=C/CS(=O)(=O)C(C)C(=O)N(C)C ZINC000078481511 187280601 /nfs/dbraw/zinc/28/06/01/187280601.db2.gz ZUTYOHCODOCTTM-HQZHTGGTSA-N 0 3 219.306 0.454 20 0 BCADHN C[C@@H](O)CNC[C@@H](n1cncn1)C(F)(F)F ZINC000634726587 343951871 /nfs/dbraw/zinc/95/18/71/343951871.db2.gz WMHZLWATCFGFKV-RNFRBKRXSA-N 0 3 238.213 0.352 20 0 BCADHN CCc1nn(C)cc1CN[C@@H]1CCOC1 ZINC000092414942 343956319 /nfs/dbraw/zinc/95/63/19/343956319.db2.gz UTECQDZIOMDZIX-SNVBAGLBSA-N 0 3 209.293 0.861 20 0 BCADHN CCc1nn(C)cc1CN[C@H]1CCOC1 ZINC000092414943 343956375 /nfs/dbraw/zinc/95/63/75/343956375.db2.gz UTECQDZIOMDZIX-JTQLQIEISA-N 0 3 209.293 0.861 20 0 BCADHN CC(C)[C@H](N)c1cn(CC2(O)CCC2)nn1 ZINC000641216528 362279469 /nfs/dbraw/zinc/27/94/69/362279469.db2.gz KODJBQBRHXJWDL-JTQLQIEISA-N 0 3 224.308 0.849 20 0 BCADHN CCC[C@H](N)c1cn(CC2(O)CCC2)nn1 ZINC000641216816 362279662 /nfs/dbraw/zinc/27/96/62/362279662.db2.gz MDWFKPMSMBXCII-VIFPVBQESA-N 0 3 224.308 0.993 20 0 BCADHN N[C@H](c1cn(CC(F)F)nn1)C1CCOCC1 ZINC000641232003 362287636 /nfs/dbraw/zinc/28/76/36/362287636.db2.gz BFLMHEDKIQYFPF-JTQLQIEISA-N 0 3 246.261 0.970 20 0 BCADHN N[C@@H](c1cn(CC(F)F)nn1)C1CCOCC1 ZINC000641232005 362287905 /nfs/dbraw/zinc/28/79/05/362287905.db2.gz BFLMHEDKIQYFPF-SNVBAGLBSA-N 0 3 246.261 0.970 20 0 BCADHN Cc1ncc(CN2CCO[C@H](CN(C)C)C2)o1 ZINC000628118009 343967387 /nfs/dbraw/zinc/96/73/87/343967387.db2.gz CRSYLTSPMLFOEW-GFCCVEGCSA-N 0 3 239.319 0.745 20 0 BCADHN C[C@@H]1C[C@H](O)CN(C[C@H](O)CC2(O)CCC2)C1 ZINC000528519163 262956541 /nfs/dbraw/zinc/95/65/41/262956541.db2.gz STEPCDZKZLEWKC-GRYCIOLGSA-N 0 3 243.347 0.355 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)N[C@H]3CC34CC4)C[C@@H]21 ZINC000425618068 192068682 /nfs/dbraw/zinc/06/86/82/192068682.db2.gz KMKICSVSXFUKKJ-VWYCJHECSA-N 0 3 235.331 0.884 20 0 BCADHN CCC1(CC)[C@H](NC(=O)CN)C[C@@H]1OC ZINC000122367846 168465261 /nfs/dbraw/zinc/46/52/61/168465261.db2.gz XMTLCRYQGZPPJJ-BDAKNGLRSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@@H](CN1C[C@H](O)[C@@H](O)C1)c1ccccc1 ZINC000625713216 344051572 /nfs/dbraw/zinc/05/15/72/344051572.db2.gz RAPAXJRQCPDNHV-AVGNSLFASA-N 0 3 237.299 0.412 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625773584 344070611 /nfs/dbraw/zinc/07/06/11/344070611.db2.gz LEINXEDLQNKIAP-UTLUCORTSA-N 0 3 226.345 0.845 20 0 BCADHN CC[C@@H](N)C(=O)N(CC(N)=O)Cc1ccccc1 ZINC000129828797 344071816 /nfs/dbraw/zinc/07/18/16/344071816.db2.gz SSIJGISBTNESKS-LLVKDONJSA-N 0 3 249.314 0.238 20 0 BCADHN CCN(CC)CC(=O)N[C@H](CO)CC1CC1 ZINC000678388118 488250136 /nfs/dbraw/zinc/25/01/36/488250136.db2.gz CLVAHADMTHBODS-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN OCc1ccc(CNCC2(O)CCC2)o1 ZINC000126794294 344104445 /nfs/dbraw/zinc/10/44/45/344104445.db2.gz IYEONQMESVKTLC-UHFFFAOYSA-N 0 3 211.261 0.777 20 0 BCADHN C[C@H](CN[C@@H]1CCCC[C@@H]1O)S(C)(=O)=O ZINC000634731425 344076527 /nfs/dbraw/zinc/07/65/27/344076527.db2.gz VJCUGUNRRCFLIV-BBBLOLIVSA-N 0 3 235.349 0.313 20 0 BCADHN CCCNC(=O)[C@H](C)N(C)CC1(C)COC1 ZINC000625794637 344077260 /nfs/dbraw/zinc/07/72/60/344077260.db2.gz STNMGYISAXGBOV-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CC(=O)[C@@](C)(O)CN(C)CC1(C)COC1 ZINC000625790556 344078318 /nfs/dbraw/zinc/07/83/18/344078318.db2.gz DFFWHWRMRQNXPC-NSHDSACASA-N 0 3 215.293 0.295 20 0 BCADHN CC[C@@H]1COCCN1C(=O)C(C)S(C)(=O)=O ZINC000115306684 347026934 /nfs/dbraw/zinc/02/69/34/347026934.db2.gz RQAOZAXHLAAJEW-DTWKUNHWSA-N 0 3 249.332 0.057 20 0 BCADHN CSC[C@@H](O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000603260615 349902119 /nfs/dbraw/zinc/90/21/19/349902119.db2.gz OUYHSDZYLACMTN-WPRPVWTQSA-N 0 3 244.364 0.658 20 0 BCADHN C[C@H]1CN(CCN2CCOCC2)CCS1 ZINC000335915719 344085936 /nfs/dbraw/zinc/08/59/36/344085936.db2.gz AIHLXAXDEGCGOW-NSHDSACASA-N 0 3 230.377 0.756 20 0 BCADHN C[C@@H]1C[C@H](C)N(CCN2CCCS2(=O)=O)C1 ZINC000335917280 344086345 /nfs/dbraw/zinc/08/63/45/344086345.db2.gz VEKBGFCMGFRRBP-MNOVXSKESA-N 0 3 246.376 0.752 20 0 BCADHN C[C@@H]1C[C@H](C)CN1CCN1CCCS1(=O)=O ZINC000335917282 344086425 /nfs/dbraw/zinc/08/64/25/344086425.db2.gz VEKBGFCMGFRRBP-WDEREUQCSA-N 0 3 246.376 0.752 20 0 BCADHN CC[C@@H](NCC(CC)(CC)C(=O)OC)C(N)=O ZINC000192704923 365800607 /nfs/dbraw/zinc/80/06/07/365800607.db2.gz NFXHCDPVUDGMAZ-SECBINFHSA-N 0 3 244.335 0.819 20 0 BCADHN CC(C)N1CCc2nn(C)c(=O)cc2C1 ZINC000078623061 344100460 /nfs/dbraw/zinc/10/04/60/344100460.db2.gz UYSUUMGQYJCXOB-UHFFFAOYSA-N 0 3 207.277 0.547 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](C)C[C@H](C)O ZINC000130009504 344102297 /nfs/dbraw/zinc/10/22/97/344102297.db2.gz JEPPGQAJQYHORS-HRDYMLBCSA-N 0 3 202.298 0.247 20 0 BCADHN C[C@H](O)CN(C)[C@@H]1CCCCN(C)C1=O ZINC000634744382 344165205 /nfs/dbraw/zinc/16/52/05/344165205.db2.gz WQMAGOIKPGTWSD-VHSXEESVSA-N 0 3 214.309 0.310 20 0 BCADHN CN(CCNc1nccnc1C(N)=O)C1CC1 ZINC000641308029 362357082 /nfs/dbraw/zinc/35/70/82/362357082.db2.gz OYOHGULYXMOHHD-UHFFFAOYSA-N 0 3 235.291 0.082 20 0 BCADHN CN(C(=O)CN1CC[C@]2(CCOC2)C1)C1CC1 ZINC000153630334 537840191 /nfs/dbraw/zinc/84/01/91/537840191.db2.gz DLDBXXZIXUSGOS-ZDUSSCGKSA-N 0 3 238.331 0.720 20 0 BCADHN NC(=O)c1nccnc1N[C@@H]1CCN(C2CC2)C1 ZINC000641309461 362359485 /nfs/dbraw/zinc/35/94/85/362359485.db2.gz SHSHMMBUKCXBKK-MRVPVSSYSA-N 0 3 247.302 0.224 20 0 BCADHN CNC(=O)CCN(C)[C@H]1CCCCN(C)C1=O ZINC000634738675 344146347 /nfs/dbraw/zinc/14/63/47/344146347.db2.gz WPVARJJBCGYPFK-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CC[C@H](O)CN(C)[C@@H]1CCCCN(C)C1=O ZINC000634739390 344160821 /nfs/dbraw/zinc/16/08/21/344160821.db2.gz SRFPSPDZSBBQSW-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN COC[C@@H](C)N(C)[C@H]1CCCCN(C)C1=O ZINC000634739637 344162329 /nfs/dbraw/zinc/16/23/29/344162329.db2.gz BCJAOQWTAJDPIG-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CN(CC1(C)COC1)[C@@H]1CCCCN(C)C1=O ZINC000634739960 344162406 /nfs/dbraw/zinc/16/24/06/344162406.db2.gz KITNCDMYDBSIHJ-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN COC[C@H](NCc1cnnn1C)C(C)C ZINC000129782092 344215778 /nfs/dbraw/zinc/21/57/78/344215778.db2.gz SGIWRYZMNHJZBF-JTQLQIEISA-N 0 3 212.297 0.576 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CCCS(=O)(=O)C2)[C@H](C)O1 ZINC000384895530 344216103 /nfs/dbraw/zinc/21/61/03/344216103.db2.gz MIKKKQMFJJHYJV-YTWAJWBKSA-N 0 3 247.360 0.719 20 0 BCADHN CCC(CC)[C@@H](O)CNC(=O)[C@H](N)CC ZINC000129833446 344216254 /nfs/dbraw/zinc/21/62/54/344216254.db2.gz JMLPWRXLIORQBC-ZJUUUORDSA-N 0 3 216.325 0.637 20 0 BCADHN C[C@H](CN(C)C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000130320749 344220124 /nfs/dbraw/zinc/22/01/24/344220124.db2.gz IKEAWFSOTHJYFP-NXEZZACHSA-N 0 3 234.365 0.103 20 0 BCADHN CC[C@H](CCO)CNCc1cnnn1C ZINC000130314558 344220522 /nfs/dbraw/zinc/22/05/22/344220522.db2.gz GSJRGNDWTDYOPL-SECBINFHSA-N 0 3 212.297 0.313 20 0 BCADHN CC(C(=O)N1CC[C@H]1C)S(C)(=O)=O ZINC000306502423 344220558 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PLIVJBQINMKWRU-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H]1OCCN(C(=O)CNC2CC2)[C@@H]1C ZINC000157530184 344190986 /nfs/dbraw/zinc/19/09/86/344190986.db2.gz ITLBRWJRFSGXPW-RKDXNWHRSA-N 0 3 212.293 0.374 20 0 BCADHN CC(=O)NCCNC(=O)CN(C)CC(C)(C)C ZINC000588901607 344198766 /nfs/dbraw/zinc/19/87/66/344198766.db2.gz SFZZMSMQEQDNHJ-UHFFFAOYSA-N 0 3 243.351 0.217 20 0 BCADHN OCCCN1CCO[C@@H](C(F)F)CC1 ZINC000634751268 344201220 /nfs/dbraw/zinc/20/12/20/344201220.db2.gz NOWQEQAEGSUISU-MRVPVSSYSA-N 0 3 209.236 0.725 20 0 BCADHN NC1(C(=O)N2CCO[C@@H](C(F)F)CC2)CCC1 ZINC000634752028 344203736 /nfs/dbraw/zinc/20/37/36/344203736.db2.gz CFZDMIRHUZBWOV-MRVPVSSYSA-N 0 3 248.273 0.750 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000634752669 344205035 /nfs/dbraw/zinc/20/50/35/344205035.db2.gz QJAHERSKWZRMBU-JGVFFNPUSA-N 0 3 236.262 0.606 20 0 BCADHN CSCC[C@H](N)C(=O)N1CC[C@@H](C)C1 ZINC000040724666 344245771 /nfs/dbraw/zinc/24/57/71/344245771.db2.gz RMZVONHQBUBXLI-BDAKNGLRSA-N 0 3 216.350 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CC(C)COCCCNC(=O)C(C)(C)N ZINC000040920524 187290271 /nfs/dbraw/zinc/29/02/71/187290271.db2.gz HUTBYAUFAKARIE-UHFFFAOYSA-N 0 3 216.325 0.903 20 0 BCADHN CC[C@H](C)[C@@H](O)CN[C@@H](C)CS(C)(=O)=O ZINC000132173366 344281660 /nfs/dbraw/zinc/28/16/60/344281660.db2.gz QEORWBLMUOJJBH-GUBZILKMSA-N 0 3 237.365 0.416 20 0 BCADHN CC(C)[C@H](O)CCN[C@@H](C)CS(C)(=O)=O ZINC000132205860 344283360 /nfs/dbraw/zinc/28/33/60/344283360.db2.gz VEOQCWSFURBCQX-VHSXEESVSA-N 0 3 237.365 0.416 20 0 BCADHN CO[C@@H](C)C(=O)N1CCCN(C(C)C)CC1 ZINC000068775417 362379285 /nfs/dbraw/zinc/37/92/85/362379285.db2.gz XDWIZBACMXBUDD-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CCS(=O)(=O)[C@@H]2C)[C@@H](C)O1 ZINC000385011199 344294446 /nfs/dbraw/zinc/29/44/46/344294446.db2.gz WSPLUAVBAYMFJN-ILAIQSSSSA-N 0 3 247.360 0.718 20 0 BCADHN NC(=O)[C@@H]1CCCN1CCC1(O)CCC1 ZINC000625869311 344241471 /nfs/dbraw/zinc/24/14/71/344241471.db2.gz GYPYIJZDUJLJLH-VIFPVBQESA-N 0 3 212.293 0.241 20 0 BCADHN 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ZINC000150174939 344438167 /nfs/dbraw/zinc/43/81/67/344438167.db2.gz VJISZPQNYYYLBQ-UHFFFAOYSA-N 0 3 226.280 0.336 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCC(C)(C)O ZINC000408282154 344442443 /nfs/dbraw/zinc/44/24/43/344442443.db2.gz YXRKLOCSTMYDCC-NXEZZACHSA-N 0 3 228.336 0.746 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000042302476 344450313 /nfs/dbraw/zinc/45/03/13/344450313.db2.gz MSJQGHXFANABFS-SFYZADRCSA-N 0 3 216.281 0.038 20 0 BCADHN C[C@@H](N)C(=O)N(C)C[C@H]1CCCCO1 ZINC000042466060 344455943 /nfs/dbraw/zinc/45/59/43/344455943.db2.gz OFIWTVFLTRWQNT-RKDXNWHRSA-N 0 3 200.282 0.361 20 0 BCADHN COC(=O)CCCN1CCC[C@@H](O)C1 ZINC000042469113 344456073 /nfs/dbraw/zinc/45/60/73/344456073.db2.gz HJHAGQSFTYBDOC-SECBINFHSA-N 0 3 201.266 0.396 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1nncs1 ZINC000306853551 344461243 /nfs/dbraw/zinc/46/12/43/344461243.db2.gz TZNNKWISPFLLQA-RXMQYKEDSA-N 0 3 212.278 0.617 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1cocn1 ZINC000104832193 344461629 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228.336 0.605 20 0 BCADHN CCN1CC[C@H](NC(=O)c2cnccn2)C1 ZINC000146405128 345714171 /nfs/dbraw/zinc/71/41/71/345714171.db2.gz GYFQIPLVIWOVMF-VIFPVBQESA-N 0 3 220.276 0.301 20 0 BCADHN OCc1ccc(CNC[C@H]2CCOC2)o1 ZINC000082738109 345715394 /nfs/dbraw/zinc/71/53/94/345715394.db2.gz SSJPMSFRDQCURU-SECBINFHSA-N 0 3 211.261 0.898 20 0 BCADHN CCC[C@H](C)CC(=O)N1CCN(C)C[C@@H]1CN ZINC000162452697 345717710 /nfs/dbraw/zinc/71/77/10/345717710.db2.gz PEKZCIMLRYNKOY-RYUDHWBXSA-N 0 3 241.379 0.914 20 0 BCADHN CC[C@H](C)[C@@H]1CN(CCO)CCN1CCO ZINC000147831706 345718355 /nfs/dbraw/zinc/71/83/55/345718355.db2.gz HCUHQHITVVRONL-RYUDHWBXSA-N 0 3 230.352 0.003 20 0 BCADHN CC(C)N1CCN(C(=O)CN(C)C)CC1 ZINC000148672677 345719415 /nfs/dbraw/zinc/71/94/15/345719415.db2.gz PHBBKOHFKOOOAW-UHFFFAOYSA-N 0 3 213.325 0.101 20 0 BCADHN NC(=O)[C@@H]1CCCN1CCCCCO ZINC000167683239 345723252 /nfs/dbraw/zinc/72/32/52/345723252.db2.gz CIESVMXWILBKJM-VIFPVBQESA-N 0 3 200.282 0.099 20 0 BCADHN CO[C@@H]1CN(Cc2ccccc2)C[C@H]1O 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/nfs/dbraw/zinc/80/18/40/345801840.db2.gz RHSMKJMRMQLWCV-NSHDSACASA-N 0 3 238.335 0.419 20 0 BCADHN CNC(=O)C[C@@H](C)NCc1ccc(=O)[nH]c1 ZINC000631151640 345856145 /nfs/dbraw/zinc/85/61/45/345856145.db2.gz CEKPRUSDZBTIRO-MRVPVSSYSA-N 0 3 223.276 0.401 20 0 BCADHN CC(C)COCCN[C@H](CO)[C@@H]1CCCO1 ZINC000309715589 187309839 /nfs/dbraw/zinc/30/98/39/187309839.db2.gz YQEDPYNNNCBZSK-NEPJUHHUSA-N 0 3 231.336 0.789 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)CCC1CCCC1 ZINC000673524290 488294285 /nfs/dbraw/zinc/29/42/85/488294285.db2.gz RABDCMADQYMKKX-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)[C@]1(C)C[C@@H]1NC(=O)C(=O)N[C@H](C)CN ZINC000418969108 192092654 /nfs/dbraw/zinc/09/26/54/192092654.db2.gz DTXIPNNFHGCSFT-PTRXPTGYSA-N 0 3 241.335 0.001 20 0 BCADHN CC(C)[C@@]1(C)C[C@@H]1NC(=O)C(=O)N[C@H](C)CN ZINC000418969110 192092675 /nfs/dbraw/zinc/09/26/75/192092675.db2.gz DTXIPNNFHGCSFT-VDDIYKPWSA-N 0 3 241.335 0.001 20 0 BCADHN CC(C)N1CC[C@@H](N[C@@H](C)[C@H](C)CO)C1=O ZINC000309633389 187310164 /nfs/dbraw/zinc/31/01/64/187310164.db2.gz RQXQTEKFKIUJDZ-OUAUKWLOSA-N 0 3 228.336 0.602 20 0 BCADHN CCn1nnc(C)c1CNCCCn1cncn1 ZINC000628213231 345872835 /nfs/dbraw/zinc/87/28/35/345872835.db2.gz CRWAKYSTBSJGCU-UHFFFAOYSA-N 0 3 249.322 0.378 20 0 BCADHN CCC(C)(C)[C@H](O)C(=O)N(C)CCN(C)C ZINC000635639775 345912336 /nfs/dbraw/zinc/91/23/36/345912336.db2.gz DCQRQJWGTZNUNF-SNVBAGLBSA-N 0 3 230.352 0.804 20 0 BCADHN COCC[C@](C)(O)CNCc1cnc(C)o1 ZINC000628215382 345916431 /nfs/dbraw/zinc/91/64/31/345916431.db2.gz HZBSSSQLWYNSPK-NSHDSACASA-N 0 3 228.292 0.860 20 0 BCADHN CC(C)[C@]1(C)C[C@H]1NC(=O)C(=O)N[C@H](C)CN ZINC000418969107 192092704 /nfs/dbraw/zinc/09/27/04/192092704.db2.gz DTXIPNNFHGCSFT-LNLATYFQSA-N 0 3 241.335 0.001 20 0 BCADHN Cn1cncc1CN1CCCN(C)CC1 ZINC000146154963 345957719 /nfs/dbraw/zinc/95/77/19/345957719.db2.gz XMAMWCWIMHRQOR-UHFFFAOYSA-N 0 3 208.309 0.558 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCCC[C@@H]1CO ZINC000166955992 345961113 /nfs/dbraw/zinc/96/11/13/345961113.db2.gz XXZALWQLBVSKGF-MNOVXSKESA-N 0 3 245.319 0.147 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC(CCO)CC1 ZINC000400948139 345932869 /nfs/dbraw/zinc/93/28/69/345932869.db2.gz VOYBXVOPHCNUNR-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN COc1nccnc1CN1CCN2CCC1CC2 ZINC000449323940 201867593 /nfs/dbraw/zinc/86/75/93/201867593.db2.gz BYKDWOZNAUEGDP-UHFFFAOYSA-N 0 3 248.330 0.765 20 0 BCADHN CN[C@@H](C)C(=O)NCC[C@H](O)C(C)C ZINC000577076146 365806459 /nfs/dbraw/zinc/80/64/59/365806459.db2.gz CUEICJJAWUSTOO-IUCAKERBSA-N 0 3 202.298 0.118 20 0 BCADHN CN(CCN1CCCC1=O)C(C)(C)CO ZINC000605574757 345968666 /nfs/dbraw/zinc/96/86/66/345968666.db2.gz KLDZHCOSCOBDRG-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN C[C@@H]1CSCCN(CC(=O)N(C)C)C1 ZINC000190484266 345973720 /nfs/dbraw/zinc/97/37/20/345973720.db2.gz PDVVIZYRRHCUFG-VIFPVBQESA-N 0 3 216.350 0.760 20 0 BCADHN C[C@H](CO)CNC(=O)CN(C)CC(C)(C)C ZINC000635693403 345978348 /nfs/dbraw/zinc/97/83/48/345978348.db2.gz ZSBMJLJWRVDCIT-JTQLQIEISA-N 0 3 230.352 0.709 20 0 BCADHN CC[C@](C)(CO)C(=O)N(C)CCN(C)C1CC1 ZINC000562963182 345979803 /nfs/dbraw/zinc/97/98/03/345979803.db2.gz LPFBDIKSGROMAS-CYBMUJFWSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@H](CCO)NC(=O)CN(C)CC(C)(C)C ZINC000635695545 345982158 /nfs/dbraw/zinc/98/21/58/345982158.db2.gz RODOXBUTBSASII-SNVBAGLBSA-N 0 3 230.352 0.851 20 0 BCADHN CCN(C)C(=O)CCN1CCN(CC)CC1 ZINC000101638638 346009233 /nfs/dbraw/zinc/00/92/33/346009233.db2.gz JXVYQKQSABZFJE-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN CSCCNCc1cnc(N(C)C)nc1 ZINC000380183570 346018775 /nfs/dbraw/zinc/01/87/75/346018775.db2.gz GMYQTKAMNPSFAE-UHFFFAOYSA-N 0 3 226.349 0.995 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)C(C)(C)C)c1nccn1C ZINC000662935783 537935584 /nfs/dbraw/zinc/93/55/84/537935584.db2.gz ZSRYJSTZBRBWQV-DTWKUNHWSA-N 0 3 238.335 0.971 20 0 BCADHN C[NH+](C)CC1(C(=O)Nc2ccncc2[O-])CC1 ZINC000635743516 346055271 /nfs/dbraw/zinc/05/52/71/346055271.db2.gz POAVZDGHJXDAOS-UHFFFAOYSA-N 0 3 235.287 0.489 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CCC(CCO)CC1 ZINC000401014051 346032208 /nfs/dbraw/zinc/03/22/08/346032208.db2.gz IDWWKHKJJMRXPN-LLVKDONJSA-N 0 3 242.363 0.981 20 0 BCADHN O=C(NCCN1CCC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635725516 346036287 /nfs/dbraw/zinc/03/62/87/346036287.db2.gz USKBNLIEJGABMK-NXEZZACHSA-N 0 3 234.303 0.335 20 0 BCADHN CN(CC(=O)NC(C)(C)CO)CC(C)(C)C ZINC000635739687 346040714 /nfs/dbraw/zinc/04/07/14/346040714.db2.gz SPFMWMCYQPSBQS-UHFFFAOYSA-N 0 3 230.352 0.851 20 0 BCADHN C[C@@H](CO)N(C)C(=O)CN(C)CC(C)(C)C ZINC000635732163 346043140 /nfs/dbraw/zinc/04/31/40/346043140.db2.gz XUOBMWXZROJHGC-JTQLQIEISA-N 0 3 230.352 0.804 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CCO1 ZINC000331391708 187364217 /nfs/dbraw/zinc/36/42/17/187364217.db2.gz LWQOIERFIAXANI-UTLUCORTSA-N 0 3 212.293 0.217 20 0 BCADHN C[C@@H](NC(=O)[C@H]1C[C@@H](O)C1)C1=CCN(C)CC1 ZINC000635785644 346068934 /nfs/dbraw/zinc/06/89/34/346068934.db2.gz DVMFJOHERMLPDC-JLLWLGSASA-N 0 3 238.331 0.524 20 0 BCADHN C[C@H]1CN(C(=O)C[C@H]2CCN(C)C2)CCC1=O ZINC000635829011 346084786 /nfs/dbraw/zinc/08/47/86/346084786.db2.gz PZJXBTKHRQOXLQ-WDEREUQCSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@H]1CN(C(=O)C2(CN(C)C)CC2)CCC1=O ZINC000635831620 346085523 /nfs/dbraw/zinc/08/55/23/346085523.db2.gz UKFZSWLCOFGGOS-JTQLQIEISA-N 0 3 238.331 0.766 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000571046077 323105232 /nfs/dbraw/zinc/10/52/32/323105232.db2.gz WCSTXTXCSOKRGY-XKAARJIMSA-N 0 3 240.347 0.615 20 0 BCADHN C[C@H](C(=O)N1CCN2CCC1CC2)N(C)C ZINC000635850394 346090028 /nfs/dbraw/zinc/09/00/28/346090028.db2.gz XRLMVOLOZIDLJL-SNVBAGLBSA-N 0 3 225.336 0.243 20 0 BCADHN COC[C@H](CO)NC(=O)CN(C)CC(C)(C)C ZINC000635879715 346094109 /nfs/dbraw/zinc/09/41/09/346094109.db2.gz KMABVZNLWSYMSN-JTQLQIEISA-N 0 3 246.351 0.088 20 0 BCADHN C[C@H](C(=O)NCc1ncccc1O)N(C)C ZINC000635876434 346096020 /nfs/dbraw/zinc/09/60/20/346096020.db2.gz BWLHOGBCOYDCLP-MRVPVSSYSA-N 0 3 223.276 0.354 20 0 BCADHN C[C@H](C(=O)NCc1ncccc1[O-])[NH+](C)C ZINC000635876434 346096023 /nfs/dbraw/zinc/09/60/23/346096023.db2.gz BWLHOGBCOYDCLP-MRVPVSSYSA-N 0 3 223.276 0.354 20 0 BCADHN CS[C@@H](CO)[C@H](C)NCc1ccc(=O)[nH]c1 ZINC000601107808 346062453 /nfs/dbraw/zinc/06/24/53/346062453.db2.gz GLCKXDVNEYPMOQ-WPRPVWTQSA-N 0 3 242.344 0.989 20 0 BCADHN CN1CC[C@@H]2CCN(C(=O)[C@H]3C[C@@H](O)C3)[C@@H]2C1 ZINC000635779830 346063474 /nfs/dbraw/zinc/06/34/74/346063474.db2.gz NRDGBCULQVXSJU-WISYIIOYSA-N 0 3 238.331 0.310 20 0 BCADHN COCCN(C)CCNC(=O)N1CC[C@@H]1C ZINC000588981264 346107806 /nfs/dbraw/zinc/10/78/06/346107806.db2.gz CLZAIFYZTWVKTE-JTQLQIEISA-N 0 3 229.324 0.368 20 0 BCADHN C[C@H](C(=O)N1CCc2nc[nH]c2C1)N(C)C ZINC000635944133 346118129 /nfs/dbraw/zinc/11/81/29/346118129.db2.gz SRGBFFDDQUTHBN-MRVPVSSYSA-N 0 3 222.292 0.245 20 0 BCADHN CC[C@]1(C(C)C)C[C@@H]1NC(=O)C(=O)NCCN ZINC000418997331 192096996 /nfs/dbraw/zinc/09/69/96/192096996.db2.gz UARKJXHAZSMGCT-JOYOIKCWSA-N 0 3 241.335 0.002 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@@H]2CCCO2)CCN1 ZINC000062612265 346146277 /nfs/dbraw/zinc/14/62/77/346146277.db2.gz UQAUODLMGSLXDV-QWRGUYRKSA-N 0 3 226.320 0.622 20 0 BCADHN CC(C)(N)C(=O)NCCc1ccccc1O ZINC000169811098 346152060 /nfs/dbraw/zinc/15/20/60/346152060.db2.gz MFELPGILJSRQRQ-UHFFFAOYSA-N 0 3 222.288 0.788 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCC(C)(O)CC1 ZINC000167045535 346185815 /nfs/dbraw/zinc/18/58/15/346185815.db2.gz KCQQQOMDGHIWTQ-JTQLQIEISA-N 0 3 245.319 0.147 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCc1ccc(=O)[nH]c1 ZINC000631153716 346233681 /nfs/dbraw/zinc/23/36/81/346233681.db2.gz GOHWFAUBXRFPKQ-GHMZBOCLSA-N 0 3 238.287 0.681 20 0 BCADHN C[C@@H](O)CCNCc1ccc(C(=O)N(C)C)[nH]1 ZINC000531758779 323112624 /nfs/dbraw/zinc/11/26/24/323112624.db2.gz MHFMUOUJPQJMIV-SECBINFHSA-N 0 3 239.319 0.577 20 0 BCADHN C[C@@H]1C[C@@H](NCC(=O)NCC(F)F)CCO1 ZINC000336782536 187317084 /nfs/dbraw/zinc/31/70/84/187317084.db2.gz XYUJJBYRAZLJKR-SFYZADRCSA-N 0 3 236.262 0.525 20 0 BCADHN CSCCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000167446137 346247761 /nfs/dbraw/zinc/24/77/61/346247761.db2.gz HZDWCYVNFRSJPY-BDAKNGLRSA-N 0 3 216.350 0.854 20 0 BCADHN CSCCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000167446241 346247869 /nfs/dbraw/zinc/24/78/69/346247869.db2.gz HZDWCYVNFRSJPY-IUCAKERBSA-N 0 3 216.350 0.854 20 0 BCADHN CC[C@H]1CN(CC2(CO)COC2)CCCO1 ZINC000309084042 349946685 /nfs/dbraw/zinc/94/66/85/349946685.db2.gz SVCBHDUKGKRYJD-NSHDSACASA-N 0 3 229.320 0.496 20 0 BCADHN Nc1ncc(CNCCn2ccnc2)s1 ZINC000309084554 349947231 /nfs/dbraw/zinc/94/72/31/349947231.db2.gz VNZYCMSBZRTRFK-UHFFFAOYSA-N 0 3 223.305 0.712 20 0 BCADHN COC(C)(C)CN(C)CCN1CCCC1=O ZINC000531829206 323115001 /nfs/dbraw/zinc/11/50/01/323115001.db2.gz DIQLATPCSGYYHF-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN COC[C@H](O)CCNCc1ccncc1N ZINC000641741359 362668274 /nfs/dbraw/zinc/66/82/74/362668274.db2.gz CKUOLVWBMYJQQB-SNVBAGLBSA-N 0 3 225.292 0.151 20 0 BCADHN CC(C)=CCCNC(=O)C(=O)N(C)[C@@H](C)CN ZINC000419070656 192099293 /nfs/dbraw/zinc/09/92/93/192099293.db2.gz VLRXHZGPAUZUEL-JTQLQIEISA-N 0 3 241.335 0.265 20 0 BCADHN Cc1cccc(C(=O)NC[C@H]2CNCCO2)n1 ZINC000134259276 179018733 /nfs/dbraw/zinc/01/87/33/179018733.db2.gz UKKDDPGGIRTYIQ-SNVBAGLBSA-N 0 3 235.287 0.108 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccncc1N ZINC000641743662 362669881 /nfs/dbraw/zinc/66/98/81/362669881.db2.gz NDKZAAMZWSBIEI-PWSUYJOCSA-N 0 3 248.330 0.668 20 0 BCADHN Nc1cnccc1CNC[C@H]1CC[C@H](O)C1 ZINC000641750047 362671189 /nfs/dbraw/zinc/67/11/89/362671189.db2.gz LZTMDOHAKLIXJY-ONGXEEELSA-N 0 3 221.304 0.914 20 0 BCADHN Nc1cnccc1CNC[C@H]1CC[C@@H](O)C1 ZINC000641750038 362671400 /nfs/dbraw/zinc/67/14/00/362671400.db2.gz LZTMDOHAKLIXJY-GXSJLCMTSA-N 0 3 221.304 0.914 20 0 BCADHN C[C@H](CC(N)=O)NCc1ccncc1N ZINC000641738909 362664585 /nfs/dbraw/zinc/66/45/85/362664585.db2.gz RNXYIIAVZPDDHZ-SSDOTTSWSA-N 0 3 208.265 0.017 20 0 BCADHN C/C=C/C[C@@H](CO)NCc1cnnn1CC ZINC000641747528 362674777 /nfs/dbraw/zinc/67/47/77/362674777.db2.gz IEQIHCQLNCOCHE-GFAPAMAISA-N 0 3 224.308 0.715 20 0 BCADHN Cc1nc(C)c(CNCCOCCN(C)C)o1 ZINC000641748117 362675531 /nfs/dbraw/zinc/67/55/31/362675531.db2.gz NVDOBFCEWGNUSY-UHFFFAOYSA-N 0 3 241.335 0.959 20 0 BCADHN C[C@H](O)C[C@H](C)NCc1ccncc1N ZINC000641748029 362675957 /nfs/dbraw/zinc/67/59/57/362675957.db2.gz SFRCNSFPMJLXKE-IUCAKERBSA-N 0 3 209.293 0.913 20 0 BCADHN C[C@H](C(=O)N(C)C[C@H]1CCCN1C)N(C)C ZINC000636053597 346300931 /nfs/dbraw/zinc/30/09/31/346300931.db2.gz LMKDRCJSLCBGHJ-GHMZBOCLSA-N 0 3 227.352 0.489 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)[C@H]1C[C@@H](O)C1 ZINC000636054296 346300976 /nfs/dbraw/zinc/30/09/76/346300976.db2.gz PPNZMXRSZJEMBW-MXWKQRLJSA-N 0 3 226.320 0.310 20 0 BCADHN COC[C@@H](CO)NCc1ccccc1N(C)C ZINC000641751387 362679594 /nfs/dbraw/zinc/67/95/94/362679594.db2.gz WNQYVTMMXUNXHZ-GFCCVEGCSA-N 0 3 238.331 0.850 20 0 BCADHN CCCN(C(=O)[C@H]1C[C@@H](O)C1)[C@H]1CCN(C)C1 ZINC000636064335 346308294 /nfs/dbraw/zinc/30/82/94/346308294.db2.gz YIZWEPCJFDQHGB-SDDRHHMPSA-N 0 3 240.347 0.700 20 0 BCADHN O=C1C[C@H](CNCc2ccc3c(n2)CCC3)CN1 ZINC000641761937 362691021 /nfs/dbraw/zinc/69/10/21/362691021.db2.gz BEBOEVKRNVZBRF-SNVBAGLBSA-N 0 3 245.326 0.796 20 0 BCADHN CC[C@H](C(=O)N1CCN(C)C[C@H]1CC)N(C)C ZINC000574904116 346311755 /nfs/dbraw/zinc/31/17/55/346311755.db2.gz OYWYJNNHPYREAN-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN CC[C@@H](C(=O)N1CCN(C)C[C@H]1CC)N(C)C ZINC000574904113 346311937 /nfs/dbraw/zinc/31/19/37/346311937.db2.gz OYWYJNNHPYREAN-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN Nc1cnccc1CNC[C@@H]1CCCNC1=O ZINC000641763057 362694492 /nfs/dbraw/zinc/69/44/92/362694492.db2.gz SQPGDZLUKLHNSD-JTQLQIEISA-N 0 3 234.303 0.280 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)CNC1CC1 ZINC000154339096 346322678 /nfs/dbraw/zinc/32/26/78/346322678.db2.gz PNQQVZFHWSOJQZ-BDAKNGLRSA-N 0 3 241.335 0.158 20 0 BCADHN C[C@H](O)CNC[C@H](c1ccco1)N(C)C ZINC000563343225 323119346 /nfs/dbraw/zinc/11/93/46/323119346.db2.gz IBFBOIGMWKLRHP-VHSXEESVSA-N 0 3 212.293 0.853 20 0 BCADHN CCN1CCCN(Cc2ccnn2C)CC1 ZINC000155345141 346346496 /nfs/dbraw/zinc/34/64/96/346346496.db2.gz CRHCKCJFYAGJCG-UHFFFAOYSA-N 0 3 222.336 0.948 20 0 BCADHN CCCN1CC[C@@H](NC(=O)[C@@H](C)N(C)C)C1 ZINC000636223093 346358585 /nfs/dbraw/zinc/35/85/85/346358585.db2.gz CZJWKRZOUSRXSN-GHMZBOCLSA-N 0 3 227.352 0.537 20 0 BCADHN C[C@H](C(=O)NC[C@@H]1CCN1C(C)(C)C)N(C)C ZINC000636156676 346338870 /nfs/dbraw/zinc/33/88/70/346338870.db2.gz UYUTWYUQPXRERN-MNOVXSKESA-N 0 3 241.379 0.926 20 0 BCADHN C[C@H](C(=O)N[C@@H]1CCN(C(C)(C)C)C1)N(C)C ZINC000636159776 346340746 /nfs/dbraw/zinc/34/07/46/346340746.db2.gz KZMWJXVJYWGAEF-GHMZBOCLSA-N 0 3 241.379 0.926 20 0 BCADHN Cn1nccc1CNC[C@@H](O)CC(F)(F)F ZINC000307952974 346342551 /nfs/dbraw/zinc/34/25/51/346342551.db2.gz WWJBGTQRORPHRZ-QMMMGPOBSA-N 0 3 237.225 0.823 20 0 BCADHN CC1(C)OCC[C@@H]1N[C@H]1CC(=O)N(C2CC2)C1 ZINC000336378336 187367423 /nfs/dbraw/zinc/36/74/23/187367423.db2.gz ZFGCBFSZYJNTAD-ONGXEEELSA-N 0 3 238.331 0.907 20 0 BCADHN CO[C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC000618136564 346370879 /nfs/dbraw/zinc/37/08/79/346370879.db2.gz NXKNJSQZWJQMJQ-ZETCQYMHSA-N 0 3 211.265 0.412 20 0 BCADHN CCN(CC)[C@H](C)CNS(=O)(=O)CC ZINC000036076746 346373285 /nfs/dbraw/zinc/37/32/85/346373285.db2.gz BYIOJDYHNPXZSN-SECBINFHSA-N 0 3 222.354 0.656 20 0 BCADHN CCC(CC)CNC(=O)C(=O)N(C)[C@H](C)CN ZINC000419135774 192101491 /nfs/dbraw/zinc/10/14/91/192101491.db2.gz AQTQIVYHNGHAML-SECBINFHSA-N 0 3 243.351 0.344 20 0 BCADHN CN(CC(=O)NC1(C)COC1)CC(C)(C)C ZINC000636312817 346388978 /nfs/dbraw/zinc/38/89/78/346388978.db2.gz PXRPGLIYZZMCPW-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN COCCN1CCC[C@@H]1CNC(=O)C1CC1 ZINC000069531224 362715628 /nfs/dbraw/zinc/71/56/28/362715628.db2.gz SWWVVADOZSZWCY-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN CCN(C(=O)[C@@H]1CCOC1)[C@@H]1CCN(CC)C1 ZINC000617929604 346387457 /nfs/dbraw/zinc/38/74/57/346387457.db2.gz NAPAIIKFDUHWFK-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN COC[C@H](C)NCc1cnc2n1CCC2 ZINC000641790293 362725040 /nfs/dbraw/zinc/72/50/40/362725040.db2.gz ONEYMOKVYDIBDK-VIFPVBQESA-N 0 3 209.293 0.954 20 0 BCADHN Cc1ncncc1[C@H](C)NC[C@@H](O)CN(C)C ZINC000563417143 323123644 /nfs/dbraw/zinc/12/36/44/323123644.db2.gz ISTDRZPLRXVQIK-GXSJLCMTSA-N 0 3 238.335 0.358 20 0 BCADHN CCn1nnc(C)c1CN[C@@H](C)COC ZINC000641790483 362724780 /nfs/dbraw/zinc/72/47/80/362724780.db2.gz VRDIEZZVDBFXLP-QMMMGPOBSA-N 0 3 212.297 0.731 20 0 BCADHN Cc1cccc(CN2C[C@H](O)C[C@H]2CO)c1 ZINC000245716666 179085213 /nfs/dbraw/zinc/08/52/13/179085213.db2.gz QJKCPHUXIDPLMI-QWHCGFSZSA-N 0 3 221.300 0.923 20 0 BCADHN Cc1cccc(CN2C[C@H](CO)[C@H](O)C2)c1 ZINC000317659429 179085276 /nfs/dbraw/zinc/08/52/76/179085276.db2.gz MTYYFPHIDMYNIU-CHWSQXEVSA-N 0 3 221.300 0.780 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccon1 ZINC000332913444 346485444 /nfs/dbraw/zinc/48/54/44/346485444.db2.gz NDXGOOGGMPGRRU-JOYOIKCWSA-N 0 3 249.314 0.816 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cncnc1 ZINC000332860514 346462011 /nfs/dbraw/zinc/46/20/11/346462011.db2.gz GPDZEHFNJIOTOP-CABZTGNLSA-N 0 3 246.314 0.689 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cncnc1 ZINC000332860517 346462185 /nfs/dbraw/zinc/46/21/85/346462185.db2.gz GPDZEHFNJIOTOP-JOYOIKCWSA-N 0 3 246.314 0.689 20 0 BCADHN C[C@H]1CCCN(CC(=O)N2CCCC2)[C@H]1CO ZINC000334346398 346471097 /nfs/dbraw/zinc/47/10/97/346471097.db2.gz VXVBSONLHRGTBV-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN CCN1CCC[C@H](NC(=O)NC[C@H](C)OC)C1 ZINC000249049980 346478069 /nfs/dbraw/zinc/47/80/69/346478069.db2.gz FUZUDCGTDQVFIF-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN Cc1cccc(CN[C@@H]2COC[C@@H]2O)c1 ZINC000037894992 179099178 /nfs/dbraw/zinc/09/91/78/179099178.db2.gz ONPAAINPXRBUQV-NEPJUHHUSA-N 0 3 207.273 0.844 20 0 BCADHN CO[C@H](CC(C)C)CN(CCO)CCCO ZINC000419209625 192103500 /nfs/dbraw/zinc/10/35/00/192103500.db2.gz TXHKGEBQCVUIDO-GFCCVEGCSA-N 0 3 233.352 0.724 20 0 BCADHN CN(C)[C@H]1CN(C[C@@H]2CCC(C)(C)O2)C[C@@H]1O ZINC000580091305 346520933 /nfs/dbraw/zinc/52/09/33/346520933.db2.gz XFSVIAYFSVBSOA-SRVKXCTJSA-N 0 3 242.363 0.551 20 0 BCADHN CCO[C@@H]1C[C@@H]1NC(=O)NCCN(C)C1CC1 ZINC000574980603 346488332 /nfs/dbraw/zinc/48/83/32/346488332.db2.gz NDTBQYAHYNHRFH-WDEREUQCSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H](CNC(=O)c1cccc(N)n1)N1CCCC1 ZINC000161519862 346491171 /nfs/dbraw/zinc/49/11/71/346491171.db2.gz ZXCYFDAOBVYMBP-JTQLQIEISA-N 0 3 248.330 0.878 20 0 BCADHN COC[C@@H](C)CN1CCNC(=O)CC1 ZINC000187183133 346559896 /nfs/dbraw/zinc/55/98/96/346559896.db2.gz OYPBOTHCGJWFKY-VIFPVBQESA-N 0 3 200.282 0.091 20 0 BCADHN CC[C@@H](C)CN1CCN(C(C)(C)C(N)=O)CC1 ZINC000204405164 346560393 /nfs/dbraw/zinc/56/03/93/346560393.db2.gz REEPHQHVLAXCFT-LLVKDONJSA-N 0 3 241.379 0.914 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC000186681109 346529918 /nfs/dbraw/zinc/52/99/18/346529918.db2.gz VBODVBDUQMUYAN-GHMZBOCLSA-N 0 3 228.336 0.556 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](C)C1 ZINC000007340563 346539238 /nfs/dbraw/zinc/53/92/38/346539238.db2.gz LRWIECATXMNMPK-SFYZADRCSA-N 0 3 213.281 0.302 20 0 BCADHN CCN1CCCN(Cc2nc(C)no2)CC1 ZINC000104951228 346546212 /nfs/dbraw/zinc/54/62/12/346546212.db2.gz ARWDLJXDUSTVPR-UHFFFAOYSA-N 0 3 224.308 0.906 20 0 BCADHN NC1(C(=O)NCCNc2ccccn2)CCC1 ZINC000580711340 346549580 /nfs/dbraw/zinc/54/95/80/346549580.db2.gz CBUBGHFGNKBUKV-UHFFFAOYSA-N 0 3 234.303 0.491 20 0 BCADHN CN1CC[C@H](N2CCC(C)(CO)CC2)C1=O ZINC000186949832 346550073 /nfs/dbraw/zinc/55/00/73/346550073.db2.gz KJKLSNYWXKSFKJ-JTQLQIEISA-N 0 3 226.320 0.312 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)N1CCN(C)CC[C@H]1C ZINC000336520239 187369534 /nfs/dbraw/zinc/36/95/34/187369534.db2.gz UDCKEASUTLIKRJ-ZJUUUORDSA-N 0 3 241.335 0.064 20 0 BCADHN CNC(=O)CCNC(C)(C)c1cnn(C)c1 ZINC000381656874 346588515 /nfs/dbraw/zinc/58/85/15/346588515.db2.gz FKEPWNZJRKMESB-UHFFFAOYSA-N 0 3 224.308 0.381 20 0 BCADHN CC[C@@]1(CO)CCCN([C@@H]2CCNC2=O)C1 ZINC000187624434 346592738 /nfs/dbraw/zinc/59/27/38/346592738.db2.gz KPYJROOERWHFMX-ZYHUDNBSSA-N 0 3 226.320 0.359 20 0 BCADHN CN1CC[C@H](Cn2nc3ccccn3c2=O)C1 ZINC000187679837 346597611 /nfs/dbraw/zinc/59/76/11/346597611.db2.gz MPSRPVACLOZSMR-JTQLQIEISA-N 0 3 232.287 0.448 20 0 BCADHN COCCNCCNC(=O)CC1(COC)CC1 ZINC000401333599 346604660 /nfs/dbraw/zinc/60/46/60/346604660.db2.gz FBMKTKSKJUXHJM-UHFFFAOYSA-N 0 3 244.335 0.155 20 0 BCADHN CN(C(=O)NC[C@@H]1CNCCO1)[C@H]1CC1(C)C ZINC000563608907 323131397 /nfs/dbraw/zinc/13/13/97/323131397.db2.gz FQFWXVIZIKTDOO-UWVGGRQHSA-N 0 3 241.335 0.415 20 0 BCADHN CS[C@H](CO)[C@@H](C)NC[C@H](O)C(F)(F)F ZINC000300397413 346613504 /nfs/dbraw/zinc/61/35/04/346613504.db2.gz MGSORWHDOSLFGX-QYNIQEEDSA-N 0 3 247.282 0.612 20 0 BCADHN CNS(=O)(=O)C[C@@H]1CCCN(C(C)C)C1 ZINC000626169440 346614193 /nfs/dbraw/zinc/61/41/93/346614193.db2.gz LOVZTRZADKFDFE-SNVBAGLBSA-N 0 3 234.365 0.656 20 0 BCADHN C[C@@H]1CCN(CCNS(C)(=O)=O)C[C@@H](C)C1 ZINC000246587790 323130052 /nfs/dbraw/zinc/13/00/52/323130052.db2.gz GKTGQEAVUANUPG-MNOVXSKESA-N 0 3 248.392 0.904 20 0 BCADHN C[C@@H]1CCCCN(CCNS(C)(=O)=O)C1 ZINC000187910727 346648375 /nfs/dbraw/zinc/64/83/75/346648375.db2.gz OTKQEDUNCRWACA-SNVBAGLBSA-N 0 3 234.365 0.658 20 0 BCADHN NC(=O)CCNCc1ccccc1CO ZINC000580194524 346650163 /nfs/dbraw/zinc/65/01/63/346650163.db2.gz RRKXIMFNMGRPHX-UHFFFAOYSA-N 0 3 208.261 0.144 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1CCCC[C@H](C)C1 ZINC000187963943 346658381 /nfs/dbraw/zinc/65/83/81/346658381.db2.gz ZACFOHCPGJKUOK-UWVGGRQHSA-N 0 3 241.335 0.953 20 0 BCADHN Cc1cccc(NC(=O)C[C@@H]2CNCCO2)n1 ZINC000091299224 179129607 /nfs/dbraw/zinc/12/96/07/179129607.db2.gz VSVVJCPRYIDXLN-SNVBAGLBSA-N 0 3 235.287 0.707 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)C[C@@H](C)C(=O)OC ZINC000037823548 346710059 /nfs/dbraw/zinc/71/00/59/346710059.db2.gz JUTCCASOUGYBDQ-NXEZZACHSA-N 0 3 244.335 0.771 20 0 BCADHN O=C(NCCN1CCCC1)c1cc[nH]c1 ZINC000167594773 346712571 /nfs/dbraw/zinc/71/25/71/346712571.db2.gz YPIRCBRXTQHKCY-UHFFFAOYSA-N 0 3 207.277 0.840 20 0 BCADHN CCNC(=O)CNCc1ccc2[nH]cnc2c1 ZINC000589635408 346720112 /nfs/dbraw/zinc/72/01/12/346720112.db2.gz LFEGBKKJDZYPGH-UHFFFAOYSA-N 0 3 232.287 0.789 20 0 BCADHN CCNC(=O)CNCc1ccc2nc[nH]c2c1 ZINC000589635408 346720114 /nfs/dbraw/zinc/72/01/14/346720114.db2.gz LFEGBKKJDZYPGH-UHFFFAOYSA-N 0 3 232.287 0.789 20 0 BCADHN CN1C[C@@H](NCc2n[nH]c3ccccc23)CC1=O ZINC000589649859 346723486 /nfs/dbraw/zinc/72/34/86/346723486.db2.gz ULCDREFQCCGECV-VIFPVBQESA-N 0 3 244.298 0.883 20 0 BCADHN CN1C[C@@H](NCc2[nH]nc3ccccc32)CC1=O ZINC000589649859 346723491 /nfs/dbraw/zinc/72/34/91/346723491.db2.gz ULCDREFQCCGECV-VIFPVBQESA-N 0 3 244.298 0.883 20 0 BCADHN CN1C[C@H](NCc2n[nH]c3ccccc23)CC1=O ZINC000589649858 346723946 /nfs/dbraw/zinc/72/39/46/346723946.db2.gz ULCDREFQCCGECV-SECBINFHSA-N 0 3 244.298 0.883 20 0 BCADHN CN1C[C@H](NCc2[nH]nc3ccccc32)CC1=O ZINC000589649858 346723950 /nfs/dbraw/zinc/72/39/50/346723950.db2.gz ULCDREFQCCGECV-SECBINFHSA-N 0 3 244.298 0.883 20 0 BCADHN O=C1C[C@@]2(CN1)CCCN(Cc1cnc[nH]1)C2 ZINC000336614414 187370812 /nfs/dbraw/zinc/37/08/12/187370812.db2.gz FMWXEFNKDKUVGK-GFCCVEGCSA-N 0 3 234.303 0.512 20 0 BCADHN CS[C@H](C)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590044256 346766471 /nfs/dbraw/zinc/76/64/71/346766471.db2.gz JHWMLUDJPCQQKY-BBBLOLIVSA-N 0 3 228.361 0.900 20 0 BCADHN CSCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590045979 346767146 /nfs/dbraw/zinc/76/71/46/346767146.db2.gz ZJBNKTCOPOPHMQ-IUCAKERBSA-N 0 3 214.334 0.512 20 0 BCADHN CCN(CC(=O)N(C)C)C[C@@H]1CCCN1CC ZINC000590058448 346769313 /nfs/dbraw/zinc/76/93/13/346769313.db2.gz IOQZRZNJWPDJTO-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CCN(CC)CC(=O)NCc1ccnn1CC ZINC000621115609 346751613 /nfs/dbraw/zinc/75/16/13/346751613.db2.gz GITRKILHOPDJRM-UHFFFAOYSA-N 0 3 238.335 0.861 20 0 BCADHN CC1CCN(CCNc2nnnn2C)CC1 ZINC000062939104 346751626 /nfs/dbraw/zinc/75/16/26/346751626.db2.gz VWTFNJBJOYRTJQ-UHFFFAOYSA-N 0 3 224.312 0.354 20 0 BCADHN CCN1CCC(Nc2nnnn2C)CC1 ZINC000062939073 346751658 /nfs/dbraw/zinc/75/16/58/346751658.db2.gz WOLQPRNLLCRDAK-UHFFFAOYSA-N 0 3 210.285 0.106 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CC[C@@H](CC2CC2)C1 ZINC000590202376 346789573 /nfs/dbraw/zinc/78/95/73/346789573.db2.gz OWXPUZKMXJKIIT-WPRPVWTQSA-N 0 3 239.319 0.692 20 0 BCADHN C[C@H](NC(=O)Cn1ccnc1)C1=CCN(C)CC1 ZINC000580244222 346795430 /nfs/dbraw/zinc/79/54/30/346795430.db2.gz CVTOOCKGIMNKOO-NSHDSACASA-N 0 3 248.330 0.650 20 0 BCADHN CCOC(=O)CC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590444273 347118345 /nfs/dbraw/zinc/11/83/45/347118345.db2.gz NSFHXVDTAUEWCZ-NXEZZACHSA-N 0 3 240.303 0.102 20 0 BCADHN CCOC(=O)C1(C)CC(NC/C=C\CO)C1 ZINC000601284894 347149210 /nfs/dbraw/zinc/14/92/10/347149210.db2.gz NZFZPYYICHJTDL-PLNGDYQASA-N 0 3 227.304 0.856 20 0 BCADHN Nc1ncccc1CN1CC[C@@H](c2nnc[nH]2)C1 ZINC000582058889 347153263 /nfs/dbraw/zinc/15/32/63/347153263.db2.gz URDMJBSTSQWKMB-SNVBAGLBSA-N 0 3 244.302 0.771 20 0 BCADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C1(O)CCC1 ZINC000184781791 347178013 /nfs/dbraw/zinc/17/80/13/347178013.db2.gz APRKGFHSOHNHJT-WDEREUQCSA-N 0 3 238.331 0.597 20 0 BCADHN 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ZINC000601379622 347291250 /nfs/dbraw/zinc/29/12/50/347291250.db2.gz BEFCMGYYMUQNRJ-HTQZYQBOSA-N 0 3 217.338 0.303 20 0 BCADHN CCN1CCC(N[C@@H](C)CS(C)(=O)=O)CC1 ZINC000081900770 347255885 /nfs/dbraw/zinc/25/58/85/347255885.db2.gz KDEHWDHDOAHCFK-JTQLQIEISA-N 0 3 248.392 0.493 20 0 BCADHN CNC(=O)CCN(C)C[C@H]1CC[C@H](C)O1 ZINC000190508870 347331260 /nfs/dbraw/zinc/33/12/60/347331260.db2.gz WBHQFMJOUFFWNQ-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191721439 347359037 /nfs/dbraw/zinc/35/90/37/347359037.db2.gz LXAIQBCHERNMMI-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CCN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000082304300 347346098 /nfs/dbraw/zinc/34/60/98/347346098.db2.gz PGVLPVJYMWEKQD-NSHDSACASA-N 0 3 225.336 0.245 20 0 BCADHN CCN1CCN(C[C@@H](O)COCC(C)C)CC1 ZINC000301317183 347356692 /nfs/dbraw/zinc/35/66/92/347356692.db2.gz YRDWYJMCEDOOBC-CYBMUJFWSA-N 0 3 244.379 0.657 20 0 BCADHN COCCCCNC(=O)[C@H](N)CCSC ZINC000163604852 133660254 /nfs/dbraw/zinc/66/02/54/133660254.db2.gz CCIOLGOEQRDBIT-SECBINFHSA-N 0 3 234.365 0.610 20 0 BCADHN CCCN(CC(=O)NC)C[C@@H](C)COC ZINC000189784938 347310006 /nfs/dbraw/zinc/31/00/06/347310006.db2.gz IDPAUTRNHAMUAK-SNVBAGLBSA-N 0 3 216.325 0.727 20 0 BCADHN O=C(CC[C@H]1CCCO1)N1CCCNCC1 ZINC000082263430 347319888 /nfs/dbraw/zinc/31/98/88/347319888.db2.gz YHQLBSBFKCFOIM-LLVKDONJSA-N 0 3 226.320 0.768 20 0 BCADHN COC(=O)[C@H]1CCN(CCOCCO)C[C@@H]1C ZINC000191786463 347360417 /nfs/dbraw/zinc/36/04/17/347360417.db2.gz GHLCWIQMRGHABB-QWRGUYRKSA-N 0 3 245.319 0.126 20 0 BCADHN CC(C(=O)NCCC(C)(C)F)S(C)(=O)=O ZINC000618406195 347386151 /nfs/dbraw/zinc/38/61/51/347386151.db2.gz LTLAMPSCVWMGTN-SSDOTTSWSA-N 0 3 239.312 0.674 20 0 BCADHN COC[C@H](C)NCC(=O)NC(C)(C)C ZINC000020041830 347401340 /nfs/dbraw/zinc/40/13/40/347401340.db2.gz DRIHCGPJXXLEIZ-QMMMGPOBSA-N 0 3 202.298 0.526 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN[C@@]1(CC)CCOC1 ZINC000616866155 347423576 /nfs/dbraw/zinc/42/35/76/347423576.db2.gz RUPMLRLWMGGNLU-RYUDHWBXSA-N 0 3 245.319 0.459 20 0 BCADHN COC(=O)CNC(=O)CN(C)CC1CCCC1 ZINC000194550729 347423679 /nfs/dbraw/zinc/42/36/79/347423679.db2.gz BSYCWHXMUPLCAP-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN COCC(COC)N[C@@H](C)[C@@H](C)OC ZINC000388483868 347427556 /nfs/dbraw/zinc/42/75/56/347427556.db2.gz XJOGBXNJNRHKLL-DTWKUNHWSA-N 0 3 205.298 0.661 20 0 BCADHN CC(C)C[C@@H](C)NC(=O)C(=O)N(C)[C@@H](C)CN ZINC000419218026 192106687 /nfs/dbraw/zinc/10/66/87/192106687.db2.gz FLZREWPCHMWSNU-ZJUUUORDSA-N 0 3 243.351 0.343 20 0 BCADHN CC(C)CC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC000571551701 323147799 /nfs/dbraw/zinc/14/77/99/323147799.db2.gz GBERHHSBDUYWRG-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN CCCCCNC(=O)[C@@H](C)N1CC[C@@H](CO)C1 ZINC000225978947 535062580 /nfs/dbraw/zinc/06/25/80/535062580.db2.gz NEYPFEXEJIVQAM-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)[C@H]1CCCN1C1CC1 ZINC000616927408 347460696 /nfs/dbraw/zinc/46/06/96/347460696.db2.gz IJBNOCQFBXLNHM-GFCCVEGCSA-N 0 3 248.330 0.995 20 0 BCADHN CN(Cc1cnc[nH]1)C(=O)[C@H]1CCCN1C1CC1 ZINC000616927408 347460699 /nfs/dbraw/zinc/46/06/99/347460699.db2.gz IJBNOCQFBXLNHM-GFCCVEGCSA-N 0 3 248.330 0.995 20 0 BCADHN CC(=O)Nc1cccc(CNCCC(N)=O)c1 ZINC000577215812 365885936 /nfs/dbraw/zinc/88/59/36/365885936.db2.gz SNQHRSZMRFWWGD-UHFFFAOYSA-N 0 3 235.287 0.610 20 0 BCADHN CSCC[C@H](N)C(=O)NCCOC(C)C ZINC000159127995 347467663 /nfs/dbraw/zinc/46/76/63/347467663.db2.gz IBVUBNZAPCDAOV-VIFPVBQESA-N 0 3 234.365 0.608 20 0 BCADHN CS[C@@H](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000590554649 347471028 /nfs/dbraw/zinc/47/10/28/347471028.db2.gz XVTUAUWIUKRKKR-GUBZILKMSA-N 0 3 246.376 0.261 20 0 BCADHN CC(C)C[C@@H](C)NC(=O)C(=O)N[C@H](C)CN ZINC000419226656 192106989 /nfs/dbraw/zinc/10/69/89/192106989.db2.gz RGAHNGUQURNBRB-RKDXNWHRSA-N 0 3 229.324 0.001 20 0 BCADHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NC1CC1 ZINC000590751339 347504468 /nfs/dbraw/zinc/50/44/68/347504468.db2.gz RAQWYFBFNFFBSK-ZJUUUORDSA-N 0 3 240.303 0.196 20 0 BCADHN Cc1nccnc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621159329 347505115 /nfs/dbraw/zinc/50/51/15/347505115.db2.gz IYNMIZCXZXVENB-LLVKDONJSA-N 0 3 248.330 0.855 20 0 BCADHN [NH3+][C@H]1C[C@@H](C(=O)Nc2ncccc2[O-])C1 ZINC000577222705 365889604 /nfs/dbraw/zinc/88/96/04/365889604.db2.gz QZTVFZWMEKUYAU-KNVOCYPGSA-N 0 3 207.233 0.463 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H](O)C2CCC2)CCN1 ZINC000621161366 347518455 /nfs/dbraw/zinc/51/84/55/347518455.db2.gz XWHCWLVRVBZINA-VXGBXAGGSA-N 0 3 240.347 0.604 20 0 BCADHN CC(C)(C)[C@@H](O)CN1C[C@H](CO)OC(C)(C)C1 ZINC000302345993 347524090 /nfs/dbraw/zinc/52/40/90/347524090.db2.gz IDGLYBMIIQEPQB-MNOVXSKESA-N 0 3 245.363 0.865 20 0 BCADHN CC(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000577229468 365892411 /nfs/dbraw/zinc/89/24/11/365892411.db2.gz KBOJXNVSRHQRIR-QWRGUYRKSA-N 0 3 242.363 0.802 20 0 BCADHN CCN1C[C@@H](C)[C@@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC000390645564 259396435 /nfs/dbraw/zinc/39/64/35/259396435.db2.gz NVEBKPKTBDZVIC-VWYCJHECSA-N 0 3 227.352 0.393 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CC[C@H]([C@H](C)O)C1 ZINC000252786288 347503599 /nfs/dbraw/zinc/50/35/99/347503599.db2.gz ZLGIOUPUZFHPDQ-DCAQKATOSA-N 0 3 245.319 0.003 20 0 BCADHN CSCCNC(=O)NC[C@H](C)N(C)C ZINC000590797378 347554911 /nfs/dbraw/zinc/55/49/11/347554911.db2.gz HVQGFRCVISGIQO-QMMMGPOBSA-N 0 3 219.354 0.599 20 0 BCADHN COC[C@@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000616982641 347564532 /nfs/dbraw/zinc/56/45/32/347564532.db2.gz LHVWLSHYJCXLIL-ZJUUUORDSA-N 0 3 229.324 0.415 20 0 BCADHN CN(C(=O)c1ccn(C)n1)C1CCN(C)CC1 ZINC000590830272 347571204 /nfs/dbraw/zinc/57/12/04/347571204.db2.gz AQHYNUMAIHMSFU-UHFFFAOYSA-N 0 3 236.319 0.586 20 0 BCADHN C[C@H](O)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617008700 347578675 /nfs/dbraw/zinc/57/86/75/347578675.db2.gz KPKXFRBXLRVIIP-IUCAKERBSA-N 0 3 214.309 0.356 20 0 BCADHN CC(C)(C)N1CC[C@@H]1CNC(=O)C1(O)CCC1 ZINC000617009591 347580062 /nfs/dbraw/zinc/58/00/62/347580062.db2.gz BGDBDLKRZXYANN-SNVBAGLBSA-N 0 3 240.347 0.890 20 0 BCADHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC000617011367 347580980 /nfs/dbraw/zinc/58/09/80/347580980.db2.gz CSDPZDGNFAEIHI-MRVPVSSYSA-N 0 3 237.307 0.407 20 0 BCADHN CN(C)CC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617014915 347582351 /nfs/dbraw/zinc/58/23/51/347582351.db2.gz QVQAOEJKVVKCTO-SNVBAGLBSA-N 0 3 227.352 0.537 20 0 BCADHN COC(=O)C1CCC(NC(=O)[C@H](C)N)CC1 ZINC000149991484 347584271 /nfs/dbraw/zinc/58/42/71/347584271.db2.gz IXALYSXLAYAVTL-UEJVZZJDSA-N 0 3 228.292 0.182 20 0 BCADHN Cn1cc(CNCc2ccc(=O)[nH]c2)cn1 ZINC000392630733 347604631 /nfs/dbraw/zinc/60/46/31/347604631.db2.gz JIIMSYREFFTSBM-UHFFFAOYSA-N 0 3 218.260 0.811 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NC1(C)COC1 ZINC000636644504 347646715 /nfs/dbraw/zinc/64/67/15/347646715.db2.gz LMRVBZRCYCFTMX-SECBINFHSA-N 0 3 227.308 0.169 20 0 BCADHN CSC[C@@H](C)C(=O)N[C@H](CN)C(F)(F)F ZINC000401709773 347608391 /nfs/dbraw/zinc/60/83/91/347608391.db2.gz DDKOKYMSSVPWJH-PHDIDXHHSA-N 0 3 244.282 0.991 20 0 BCADHN C[C@H](NCCC(=O)NC(N)=O)c1ccsc1 ZINC000591036368 347609413 /nfs/dbraw/zinc/60/94/13/347609413.db2.gz IYCLKTXZUHBPKX-ZETCQYMHSA-N 0 3 241.316 0.984 20 0 BCADHN CCNC(=O)CN[C@H]1CCC[C@H]1C(=O)OC ZINC000591039486 347609815 /nfs/dbraw/zinc/60/98/15/347609815.db2.gz SURGOCAZAWRIJM-BDAKNGLRSA-N 0 3 228.292 0.054 20 0 BCADHN CCN1CCCN(C[C@@](C)(O)C(C)C)CC1=O ZINC000364963558 347611074 /nfs/dbraw/zinc/61/10/74/347611074.db2.gz UBTFBSMXDDDZDU-CYBMUJFWSA-N 0 3 242.363 0.948 20 0 BCADHN Cc1cccc(CNC(=O)C(=O)N[C@@H](C)CN)c1 ZINC000419185699 192108297 /nfs/dbraw/zinc/10/82/97/192108297.db2.gz GOCGPKPDEAIZOG-JTQLQIEISA-N 0 3 249.314 0.075 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@@H]1NCC1(C)C)C1CC1 ZINC000591670812 347684082 /nfs/dbraw/zinc/68/40/82/347684082.db2.gz KYXYUDHPNCCZAE-IUCAKERBSA-N 0 3 240.303 0.052 20 0 BCADHN CC(C(=O)N[C@@H]1COC(C)(C)C1)S(C)(=O)=O ZINC000617057760 347687853 /nfs/dbraw/zinc/68/78/53/347687853.db2.gz MNMTWVQQHWZRGV-SFYZADRCSA-N 0 3 249.332 0.103 20 0 BCADHN C[C@H](NCC(=O)N1CCNCC1)c1ccoc1 ZINC000577274117 365911986 /nfs/dbraw/zinc/91/19/86/365911986.db2.gz DBJOGZNAIXCJLM-JTQLQIEISA-N 0 3 237.303 0.362 20 0 BCADHN COC(=O)CCN(C(=O)CNC1CC1)C(C)C ZINC000591686649 347689665 /nfs/dbraw/zinc/68/96/65/347689665.db2.gz GHGFHVKMJLJWQD-UHFFFAOYSA-N 0 3 242.319 0.539 20 0 BCADHN COC(=O)C1(CNC(=O)[C@H]2NCC2(C)C)CC1 ZINC000591687536 347689778 /nfs/dbraw/zinc/68/97/78/347689778.db2.gz UGXFSWFYZOLKHS-MRVPVSSYSA-N 0 3 240.303 0.054 20 0 BCADHN C[C@@H](NCc1cn[nH]c1)[C@H](C)N1CCOCC1 ZINC000591726758 347693497 /nfs/dbraw/zinc/69/34/97/347693497.db2.gz UNJCHZSMTXVXGH-MNOVXSKESA-N 0 3 238.335 0.609 20 0 BCADHN CSC[C@H](O)CN[C@H]1CCN(C(C)C)C1=O ZINC000591742204 347694856 /nfs/dbraw/zinc/69/48/56/347694856.db2.gz JZBMVNSVYAOTCD-ZJUUUORDSA-N 0 3 246.376 0.309 20 0 BCADHN Cc1ccccc1CN1C[C@@H](O)[C@@H](O)C1 ZINC000086331829 179277014 /nfs/dbraw/zinc/27/70/14/179277014.db2.gz XSDCZAJHJUMBDI-TXEJJXNPSA-N 0 3 207.273 0.532 20 0 BCADHN CCCCN1CCN(C[C@@H](O)COCC)CC1 ZINC000591901793 347713744 /nfs/dbraw/zinc/71/37/44/347713744.db2.gz GMISBXWQPAFRCC-CYBMUJFWSA-N 0 3 244.379 0.802 20 0 BCADHN O=C1CCCN1CCN1CCC[C@H](CCO)C1 ZINC000591473918 347667489 /nfs/dbraw/zinc/66/74/89/347667489.db2.gz TXPDFEYPHMOIGF-GFCCVEGCSA-N 0 3 240.347 0.703 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)[C@@H]1NCC1(C)C ZINC000592212955 347762213 /nfs/dbraw/zinc/76/22/13/347762213.db2.gz NAQDECRVCDVQAF-BDAKNGLRSA-N 0 3 242.319 0.300 20 0 BCADHN CCOCCN(CC)C(=O)[C@@H](N)CCSC ZINC000082538433 347766154 /nfs/dbraw/zinc/76/61/54/347766154.db2.gz HQWCHFFJEPSNTJ-JTQLQIEISA-N 0 3 248.392 0.952 20 0 BCADHN CSC[C@H](O)CNC[C@@H](O)C(F)(F)F ZINC000592432254 347778593 /nfs/dbraw/zinc/77/85/93/347778593.db2.gz UCSOYJJWPQPXBL-PHDIDXHHSA-N 0 3 233.255 0.223 20 0 BCADHN COC(=O)[C@@H]1CNCCCN1C[C@@H]1C[C@@H]1C ZINC000592434564 347779099 /nfs/dbraw/zinc/77/90/99/347779099.db2.gz LLPNIFNEXIQHQK-DCAQKATOSA-N 0 3 226.320 0.479 20 0 BCADHN COC(=O)[C@@H]1CNCCCN1C[C@H]1C[C@H]1C ZINC000592434565 347779187 /nfs/dbraw/zinc/77/91/87/347779187.db2.gz LLPNIFNEXIQHQK-MXWKQRLJSA-N 0 3 226.320 0.479 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NC[C@H](C)C1CC1 ZINC000592055411 347731945 /nfs/dbraw/zinc/73/19/45/347731945.db2.gz OXBOYLKQBNGEFA-WCBMZHEXSA-N 0 3 242.319 0.429 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000577281991 365916396 /nfs/dbraw/zinc/91/63/96/365916396.db2.gz UKIIXKSSNSRCFF-YFKTTZPYSA-N 0 3 238.331 0.751 20 0 BCADHN CC(=O)NCCN(C)CCC(=O)OC(C)C ZINC000592152089 347743299 /nfs/dbraw/zinc/74/32/99/347743299.db2.gz QEILITAYILHDJN-UHFFFAOYSA-N 0 3 230.308 0.396 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(N)=O)[C@@H]1SC ZINC000592169669 347747183 /nfs/dbraw/zinc/74/71/83/347747183.db2.gz OMJMZVFVPTVCDZ-KDXUFGMBSA-N 0 3 232.349 0.359 20 0 BCADHN COC(=O)C1CCC(NC(=O)C(C)(C)N)CC1 ZINC000592134129 347747473 /nfs/dbraw/zinc/74/74/73/347747473.db2.gz GWMJEDWOPBTLFF-UHFFFAOYSA-N 0 3 242.319 0.572 20 0 BCADHN COC(=O)[C@@H]1C[C@@H](O)CN(CCC[C@H](C)O)C1 ZINC000592193324 347748925 /nfs/dbraw/zinc/74/89/25/347748925.db2.gz MAEUSWSROREKLN-HBNTYKKESA-N 0 3 245.319 0.003 20 0 BCADHN COC(=O)[C@@H]1C[C@@H](O)CN(C(C)C)C1 ZINC000592197010 347750323 /nfs/dbraw/zinc/75/03/23/347750323.db2.gz DODUPLVQBRFURY-RKDXNWHRSA-N 0 3 201.266 0.251 20 0 BCADHN COC(=O)C1(CNC(=O)[C@H](C)N)CCCC1 ZINC000592198758 347750948 /nfs/dbraw/zinc/75/09/48/347750948.db2.gz SCCQOMHBDLMTDS-QMMMGPOBSA-N 0 3 228.292 0.183 20 0 BCADHN CC(=O)NCCN(C)CCCN1CCCC1=O ZINC000577278463 365914167 /nfs/dbraw/zinc/91/41/67/365914167.db2.gz JAHMBOXVUZDIBC-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN CCN(CCSC)CCN1C(=O)CCC1=O ZINC000592201902 347754167 /nfs/dbraw/zinc/75/41/67/347754167.db2.gz ILFAVMBWACLQTM-UHFFFAOYSA-N 0 3 244.360 0.820 20 0 BCADHN CC[C@@H](C(=O)NCCN1CC[C@@H](C)C1)N(C)C ZINC000531959094 323158007 /nfs/dbraw/zinc/15/80/07/323158007.db2.gz OWWZPLGVRJUMPL-NEPJUHHUSA-N 0 3 241.379 0.785 20 0 BCADHN CC[C@](C)(O)CN1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592207698 347757351 /nfs/dbraw/zinc/75/73/51/347757351.db2.gz PXHLAXKJBLZYQE-NHCYSSNCSA-N 0 3 245.319 0.003 20 0 BCADHN COC(=O)[C@@H]1C[C@H](O)CN(C[C@@H]2CCCO2)C1 ZINC000592208166 347757522 /nfs/dbraw/zinc/75/75/22/347757522.db2.gz MTMZNNRCNKVFQZ-VWYCJHECSA-N 0 3 243.303 0.021 20 0 BCADHN COC(=O)[C@@H]1C[C@@H](O)CN(C[C@H]2CCCO2)C1 ZINC000592208163 347757895 /nfs/dbraw/zinc/75/78/95/347757895.db2.gz MTMZNNRCNKVFQZ-GMTAPVOTSA-N 0 3 243.303 0.021 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@@]1(C)C(=O)OC ZINC000592561143 347800951 /nfs/dbraw/zinc/80/09/51/347800951.db2.gz BSOKYZWEWIVEFX-KWQFWETISA-N 0 3 228.292 0.278 20 0 BCADHN C[C@H](O)[C@@H]1CCCN(CC(=O)N2CCC2)C1 ZINC000534845515 323161115 /nfs/dbraw/zinc/16/11/15/323161115.db2.gz FVFQRCZLKGECLU-WDEREUQCSA-N 0 3 226.320 0.312 20 0 BCADHN CN(Cc1ccn(C)c(=O)c1)[C@H]1CCOC1 ZINC000592818624 347819124 /nfs/dbraw/zinc/81/91/24/347819124.db2.gz TYTVRZPWBMHBIN-NSHDSACASA-N 0 3 222.288 0.606 20 0 BCADHN CC(C)(C)CN(CCO)CCN1CCCC1=O ZINC000592894908 347828838 /nfs/dbraw/zinc/82/88/38/347828838.db2.gz AKRRMQXUEFXCMN-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN CC[C@H](NC(=O)[C@H]1NCC1(C)C)C(=O)OC ZINC000592483820 347786462 /nfs/dbraw/zinc/78/64/62/347786462.db2.gz DBELNWYGJJOYGX-JGVFFNPUSA-N 0 3 228.292 0.052 20 0 BCADHN COC(=O)[C@H]1CNCCCN1Cc1ccon1 ZINC000592489957 347787198 /nfs/dbraw/zinc/78/71/98/347787198.db2.gz XLOADVHTBZWYEV-SNVBAGLBSA-N 0 3 239.275 0.012 20 0 BCADHN COC(=O)[C@@H]1CNCCCN1CCOC(C)C ZINC000592491197 347787759 /nfs/dbraw/zinc/78/77/59/347787759.db2.gz HBMMSYHGDHFAMK-NSHDSACASA-N 0 3 244.335 0.248 20 0 BCADHN COC(=O)[C@H]1CNCCCN1CCOC(C)C ZINC000592491196 347787929 /nfs/dbraw/zinc/78/79/29/347787929.db2.gz HBMMSYHGDHFAMK-LLVKDONJSA-N 0 3 244.335 0.248 20 0 BCADHN Cc1ccccc1NC(=O)[C@H]1C[C@@H](O)CN1 ZINC000020434474 179302735 /nfs/dbraw/zinc/30/27/35/179302735.db2.gz PYJIVQKIWXKWBC-MWLCHTKSSA-N 0 3 220.272 0.656 20 0 BCADHN COC(=O)[C@]1(C)CCN(C[C@@H]2CCC(=O)N2)C1 ZINC000593015771 347844592 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/nfs/dbraw/zinc/11/46/68/192114668.db2.gz XQHIVZSLFRTMGI-BBBLOLIVSA-N 0 3 241.335 0.002 20 0 BCADHN C[C@@H](O)CN(CCOCC1CCC1)[C@H](C)CO ZINC000419251632 192114707 /nfs/dbraw/zinc/11/47/07/192114707.db2.gz GSOORHFIXPFVLF-VXGBXAGGSA-N 0 3 245.363 0.867 20 0 BCADHN CSC[C@](C)(O)CNCc1cn[nH]c1 ZINC000308735380 348270675 /nfs/dbraw/zinc/27/06/75/348270675.db2.gz LCSCTECSTCXEKP-SECBINFHSA-N 0 3 215.322 0.613 20 0 BCADHN CC[C@@H](C)N(CC)CC(=O)NC(N)=O ZINC000595593096 348278342 /nfs/dbraw/zinc/27/83/42/348278342.db2.gz NRLJSJCVNMMKDC-SSDOTTSWSA-N 0 3 201.270 0.302 20 0 BCADHN CC[C@H](C)N(CC)CC(=O)NC(=O)NC ZINC000595592483 348278418 /nfs/dbraw/zinc/27/84/18/348278418.db2.gz FBWJHSRQLSPXBZ-QMMMGPOBSA-N 0 3 215.297 0.562 20 0 BCADHN C[C@@H]1CN(CC[C@@H]2CCNC2=O)[C@@H](C)CO1 ZINC000563856308 323181125 /nfs/dbraw/zinc/18/11/25/323181125.db2.gz TZUZUSBRMXUAIZ-AXFHLTTASA-N 0 3 226.320 0.622 20 0 BCADHN COC(=O)CCCN(C)Cc1cnc[nH]1 ZINC000595596853 348295119 /nfs/dbraw/zinc/29/51/19/348295119.db2.gz PEJZLJMZKYLSRW-UHFFFAOYSA-N 0 3 211.265 0.795 20 0 BCADHN CC[C@@H](CN[C@@H]1CCO[C@@H]1C(=O)OC)OC ZINC000595660100 348299657 /nfs/dbraw/zinc/29/96/57/348299657.db2.gz SXRCCMKRRVZHOT-AEJSXWLSSA-N 0 3 231.292 0.332 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NCCSC ZINC000595662743 348300437 /nfs/dbraw/zinc/30/04/37/348300437.db2.gz BWQBVYZDAOZQPR-JGVFFNPUSA-N 0 3 219.306 0.270 20 0 BCADHN CSCCN1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000419326856 192122430 /nfs/dbraw/zinc/12/24/30/192122430.db2.gz MUDDKOYWPCSZBG-MNOVXSKESA-N 0 3 232.393 0.736 20 0 BCADHN CSC[C@@H](O)CN(C)C[C@H]1COCCO1 ZINC000595735208 348318193 /nfs/dbraw/zinc/31/81/93/348318193.db2.gz DXUVWEUBXTVXSC-UWVGGRQHSA-N 0 3 235.349 0.058 20 0 BCADHN COC(=O)C1(CN(C)C[C@H]2COCCO2)CC1 ZINC000595735412 348318398 /nfs/dbraw/zinc/31/83/98/348318398.db2.gz HNJBWKCGLYNWFG-JTQLQIEISA-N 0 3 243.303 0.287 20 0 BCADHN C[C@H]1CN(CCNCc2ccccn2)CCO1 ZINC000053343857 348348457 /nfs/dbraw/zinc/34/84/57/348348457.db2.gz IHANCLNXFGTYSY-LBPRGKRZSA-N 0 3 235.331 0.892 20 0 BCADHN CN(Cc1cn[nH]c1)C(=O)[C@H]1CCCCN1 ZINC000069763635 490158677 /nfs/dbraw/zinc/15/86/77/490158677.db2.gz AZCBGVJWJABCDG-SNVBAGLBSA-N 0 3 222.292 0.510 20 0 BCADHN COC(=O)CCCN1CC[C@@]2(O)C[C@H]2C1 ZINC000595756948 348331202 /nfs/dbraw/zinc/33/12/02/348331202.db2.gz IXHNMLVJNFJXDB-GXSJLCMTSA-N 0 3 213.277 0.396 20 0 BCADHN CCOC[C@H](O)CN(C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595847578 348355204 /nfs/dbraw/zinc/35/52/04/348355204.db2.gz HLOZHOKGVAOHLJ-OUAUKWLOSA-N 0 3 245.319 0.267 20 0 BCADHN CCOC(=O)CCN(C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595848745 348355511 /nfs/dbraw/zinc/35/55/11/348355511.db2.gz PGTHBXAYDOSTEN-AOOOYVTPSA-N 0 3 243.303 0.823 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)CC[C@@H](C)O)C1 ZINC000595857547 348358689 /nfs/dbraw/zinc/35/86/89/348358689.db2.gz ZLFGTYDGXNPDKO-BBBLOLIVSA-N 0 3 215.293 0.641 20 0 BCADHN CSCC1(CCNC(=O)CN)CC1 ZINC000595962224 348405226 /nfs/dbraw/zinc/40/52/26/348405226.db2.gz ZKPGIKNLHAVAQE-UHFFFAOYSA-N 0 3 202.323 0.595 20 0 BCADHN COC(=O)[C@@]1(NC(=O)[C@H](C)N)CC[C@@H](C)CC1 ZINC000595969110 348407522 /nfs/dbraw/zinc/40/75/22/348407522.db2.gz LIADDRZVNAIKKN-AUTRQRHGSA-N 0 3 242.319 0.572 20 0 BCADHN CCCN1C[C@H](C)N(CCO)C[C@H]1C ZINC000419332019 192124048 /nfs/dbraw/zinc/12/40/48/192124048.db2.gz SIAYXKFRBHCIOB-MNOVXSKESA-N 0 3 200.326 0.783 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 ZINC000595992965 348421636 /nfs/dbraw/zinc/42/16/36/348421636.db2.gz YVXUBYBNPSYVOD-XKNYDFJKSA-N 0 3 242.319 0.428 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC(=O)[C@H](N)C2CCC2)C1 ZINC000595981562 348416840 /nfs/dbraw/zinc/41/68/40/348416840.db2.gz FHSSFTMNQHQSLM-OPRDCNLKSA-N 0 3 240.303 0.182 20 0 BCADHN COC(=O)C[C@@H]1CCCN1C[C@@H]1CNCCO1 ZINC000595892113 348390843 /nfs/dbraw/zinc/39/08/43/348390843.db2.gz KSNRKQLWVUGBAR-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN CC(C)=CCCN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595902649 348395478 /nfs/dbraw/zinc/39/54/78/348395478.db2.gz CPAVXWTYRSRMGJ-NEPJUHHUSA-N 0 3 237.347 0.587 20 0 BCADHN COC(=O)CNC(=O)CN(C)C[C@@H]1CC1(C)C ZINC000595912123 348398750 /nfs/dbraw/zinc/39/87/50/348398750.db2.gz IUSVNNOOAZQBQG-VIFPVBQESA-N 0 3 242.319 0.254 20 0 BCADHN CCNC(=O)NC(=O)CN(C)C[C@H]1CC1(C)C ZINC000595912451 348398832 /nfs/dbraw/zinc/39/88/32/348398832.db2.gz MISCJGKTMONCTG-SECBINFHSA-N 0 3 241.335 0.810 20 0 BCADHN COC(=O)[C@H](C)NC(=O)c1cccc2c1CNC2 ZINC000595915292 348399842 /nfs/dbraw/zinc/39/98/42/348399842.db2.gz HMLJBTWNRYZZCK-QMMMGPOBSA-N 0 3 248.282 0.581 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H](N)C2CCC2)C1 ZINC000595974530 348403725 /nfs/dbraw/zinc/40/37/25/348403725.db2.gz FHSSFTMNQHQSLM-AEJSXWLSSA-N 0 3 240.303 0.182 20 0 BCADHN COC(=O)[C@H]1CCCN(C(=O)CNC(C)C)C1 ZINC000595958939 348404757 /nfs/dbraw/zinc/40/47/57/348404757.db2.gz UEPXBLYTYNTULS-JTQLQIEISA-N 0 3 242.319 0.396 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC(=O)[C@@H](N)CC(C)C)C1 ZINC000595989642 348420641 /nfs/dbraw/zinc/42/06/41/348420641.db2.gz LRTVZRGTABYNHI-GUBZILKMSA-N 0 3 242.319 0.428 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419391653 192129917 /nfs/dbraw/zinc/12/99/17/192129917.db2.gz JWVUINMZKVQHEC-FNCVBFRFSA-N 0 3 227.308 0.546 20 0 BCADHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)NC(N)=O ZINC000419393777 192130363 /nfs/dbraw/zinc/13/03/63/192130363.db2.gz NVCSKXAAAWRJLX-GJMOJQLCSA-N 0 3 213.281 0.158 20 0 BCADHN C[C@@H]1CN(CC(=O)N2CCOCC2)[C@@H](C)[C@H]1C ZINC000419396955 192131051 /nfs/dbraw/zinc/13/10/51/192131051.db2.gz TXGZDTHWUDRQJE-WOPDTQHZSA-N 0 3 240.347 0.822 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)C(=O)CNC2CC2)C1 ZINC000595997605 348422720 /nfs/dbraw/zinc/42/27/20/348422720.db2.gz ZTOKOJKSUPISEL-WAAGHKOSSA-N 0 3 240.303 0.148 20 0 BCADHN CC(C)[C@H](C)CNC(=O)C(=O)N(C)[C@@H](C)CN ZINC000419364759 192127958 /nfs/dbraw/zinc/12/79/58/192127958.db2.gz QEOYQHNXNBZBNZ-ZJUUUORDSA-N 0 3 243.351 0.200 20 0 BCADHN CCS(=O)(=O)NCCN1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419371176 192128827 /nfs/dbraw/zinc/12/88/27/192128827.db2.gz KLMJAALBADCCJV-HBNTYKKESA-N 0 3 248.392 0.902 20 0 BCADHN CC(C)C1(CNC(=O)C(=O)N[C@H](C)CN)CC1 ZINC000419520039 192137951 /nfs/dbraw/zinc/13/79/51/192137951.db2.gz DWQVVHPOKVZAPZ-SECBINFHSA-N 0 3 241.335 0.002 20 0 BCADHN Cc1cc(CNC(=O)[C@H]2CCCCN2C)n[nH]1 ZINC000603551838 349991286 /nfs/dbraw/zinc/99/12/86/349991286.db2.gz UCKWOEGHTPQRKR-LLVKDONJSA-N 0 3 236.319 0.819 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)NCCC1CCCC1 ZINC000419566642 192141742 /nfs/dbraw/zinc/14/17/42/192141742.db2.gz PINUQMPXAGHBCP-VIFPVBQESA-N 0 3 241.335 0.146 20 0 BCADHN CS[C@H]1CN(c2ncnn2C)C[C@@H]1N(C)C ZINC000596181279 348455601 /nfs/dbraw/zinc/45/56/01/348455601.db2.gz ZGBXLKPRMDPHAJ-IUCAKERBSA-N 0 3 241.364 0.297 20 0 BCADHN CS[C@H]1CN(c2ncnn2C)C[C@H]1N(C)C ZINC000596181253 348455639 /nfs/dbraw/zinc/45/56/39/348455639.db2.gz ZGBXLKPRMDPHAJ-BDAKNGLRSA-N 0 3 241.364 0.297 20 0 BCADHN CCN1CC[C@@H](N(C)Cc2noc(C)n2)C1 ZINC000596213227 348467646 /nfs/dbraw/zinc/46/76/46/348467646.db2.gz WNSFEBBMAPNSON-SNVBAGLBSA-N 0 3 224.308 0.904 20 0 BCADHN CNS(=O)(=O)CCN(C)[C@H](C)C(C)C ZINC000621245703 349998018 /nfs/dbraw/zinc/99/80/18/349998018.db2.gz SJVDXUISTIOQJW-SECBINFHSA-N 0 3 222.354 0.512 20 0 BCADHN CN1CC[C@]2(CCN(c3ccc(C#N)nn3)C2)C1 ZINC000396910048 349989071 /nfs/dbraw/zinc/98/90/71/349989071.db2.gz HQLNANIGOQQRHO-ZDUSSCGKSA-N 0 3 243.314 0.880 20 0 BCADHN CC(C)CC[C@H](C)NC(=O)C(=O)N[C@@H](C)CN ZINC000419796651 192144870 /nfs/dbraw/zinc/14/48/70/192144870.db2.gz QSAMNQGOWBMHMY-UWVGGRQHSA-N 0 3 243.351 0.391 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)NCCC(C)(C)C ZINC000419735913 192145131 /nfs/dbraw/zinc/14/51/31/192145131.db2.gz GPTAADUZDOUALC-QMMMGPOBSA-N 0 3 229.324 0.002 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1ccc2c(c1)ncn2C ZINC000419796067 192145310 /nfs/dbraw/zinc/14/53/10/192145310.db2.gz MKYAYFIAXFGZCQ-BXKDBHETSA-N 0 3 249.314 0.405 20 0 BCADHN Cc1cc(CN[C@H](CO)[C@@H](C)O)cs1 ZINC000419796703 192145363 /nfs/dbraw/zinc/14/53/63/192145363.db2.gz PNHXFNPRWSFLHK-PSASIEDQSA-N 0 3 215.318 0.888 20 0 BCADHN CCC[C@@H](O)[C@@H](CO)NCc1ccncc1 ZINC000419830963 192146402 /nfs/dbraw/zinc/14/64/02/192146402.db2.gz UOSJGFCEXYZXDM-VXGBXAGGSA-N 0 3 224.304 0.693 20 0 BCADHN CCC[C@@H](O)[C@H](CO)NCc1ccncc1 ZINC000419830960 192146704 /nfs/dbraw/zinc/14/67/04/192146704.db2.gz UOSJGFCEXYZXDM-NWDGAFQWSA-N 0 3 224.304 0.693 20 0 BCADHN CC[C@@]1(C)CCCN(C(=O)C(=O)NCCN)C1 ZINC000419842654 192147066 /nfs/dbraw/zinc/14/70/66/192147066.db2.gz WBDKEMUWPHIDAA-LBPRGKRZSA-N 0 3 241.335 0.100 20 0 BCADHN CC[C@H](C(=O)N1CCN(C)CC[C@@H]1C)[C@H](C)O ZINC000419880483 192148305 /nfs/dbraw/zinc/14/83/05/192148305.db2.gz VGLPWPVPXLQEEM-SRVKXCTJSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](C(=O)N1CCN(C)CC[C@H]1C)[C@@H](C)O ZINC000419880485 192148363 /nfs/dbraw/zinc/14/83/63/192148363.db2.gz VGLPWPVPXLQEEM-UTUOFQBUSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@]1(C)CCN(C(=O)C(=O)N[C@@H](C)CN)C1 ZINC000420020867 192153173 /nfs/dbraw/zinc/15/31/73/192153173.db2.gz GLGNWAMKEDXQSN-CABZTGNLSA-N 0 3 241.335 0.098 20 0 BCADHN CC[C@H]1C[C@@H](C)CN1C(=O)C(=O)N[C@H](C)CN ZINC000420016703 192153224 /nfs/dbraw/zinc/15/32/24/192153224.db2.gz TYSHCJZNGGSKQM-BBBLOLIVSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@@H](C)CC1(C)C ZINC000420015651 192153752 /nfs/dbraw/zinc/15/37/52/192153752.db2.gz LRUBANSYZCEMGP-IUCAKERBSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@@H]1[C@@H](C)CCN1C(=O)C(=O)N[C@@H](C)CN ZINC000420018415 192153809 /nfs/dbraw/zinc/15/38/09/192153809.db2.gz PICFJRCEDSAHSD-LPEHRKFASA-N 0 3 241.335 0.097 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000420018400 192153998 /nfs/dbraw/zinc/15/39/98/192153998.db2.gz YAFFEFYKRQIIOO-BBBLOLIVSA-N 0 3 241.335 0.097 20 0 BCADHN CN(CC(=O)N1CCN(C)CC1)C(C)(C)C ZINC000205603903 348558461 /nfs/dbraw/zinc/55/84/61/348558461.db2.gz ZPSCALLFHUOACO-UHFFFAOYSA-N 0 3 227.352 0.491 20 0 BCADHN CC(C)CN(C(=O)C(=O)N[C@H](C)CN)C1CC1 ZINC000419997287 192156264 /nfs/dbraw/zinc/15/62/64/192156264.db2.gz OGKVLNXYZDCLII-SECBINFHSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@H](CSCCF)NC1(C(N)=O)CC1 ZINC000597083811 348655540 /nfs/dbraw/zinc/65/55/40/348655540.db2.gz UMYNAQKJGCVSFV-SSDOTTSWSA-N 0 3 220.313 0.685 20 0 BCADHN COC(=O)c1ccc(NCCN(C)C)nn1 ZINC000037462070 348615266 /nfs/dbraw/zinc/61/52/66/348615266.db2.gz KIQOOOLMJXBJBI-UHFFFAOYSA-N 0 3 224.264 0.237 20 0 BCADHN CCc1ccnc(CNC(=O)[C@@H](CN)OC)c1 ZINC000516649365 348624868 /nfs/dbraw/zinc/62/48/68/348624868.db2.gz PXRSHYQCOCHHGG-LLVKDONJSA-N 0 3 237.303 0.234 20 0 BCADHN CC[C@H]1CC[C@@H](C)N1C(=O)C(=O)N[C@@H](C)CN ZINC000420035168 192158906 /nfs/dbraw/zinc/15/89/06/192158906.db2.gz YINCIAPUQAAQNF-AEJSXWLSSA-N 0 3 241.335 0.239 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](C)N(C)C)[C@H](C)O ZINC000420090675 192160764 /nfs/dbraw/zinc/16/07/64/192160764.db2.gz LYXFWOKRPWAHQB-LPEHRKFASA-N 0 3 216.325 0.460 20 0 BCADHN COC(=O)C(C)(C)CCNC/C=C/CO ZINC000597186224 348683785 /nfs/dbraw/zinc/68/37/85/348683785.db2.gz GGEDGBAMRBOFSD-SNAWJCMRSA-N 0 3 215.293 0.714 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC2CSC2)C1 ZINC000597244323 348688272 /nfs/dbraw/zinc/68/82/72/348688272.db2.gz WVWIPIGLTHLYBQ-LJGSYFOKSA-N 0 3 201.291 0.643 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NCc2cnc3n2CCC3)C1 ZINC000597222819 348693223 /nfs/dbraw/zinc/69/32/23/348693223.db2.gz NCAPSIFYNWEUOE-AOOOYVTPSA-N 0 3 249.314 0.871 20 0 BCADHN CSCCCCC(=O)N[C@H](CO)CN(C)C ZINC000597655620 348776596 /nfs/dbraw/zinc/77/65/96/348776596.db2.gz ZEHVPRVECDFXRB-JTQLQIEISA-N 0 3 248.392 0.558 20 0 BCADHN Cc1ccccc1[C@@H](CO)NC[C@@H](C)O ZINC000309032658 323197282 /nfs/dbraw/zinc/19/72/82/323197282.db2.gz FVHKFXBCLDMVMH-ZYHUDNBSSA-N 0 3 209.289 0.999 20 0 BCADHN COC(=O)CCC(=O)N(C)C[C@H]1CCCN1C ZINC000421703097 192375007 /nfs/dbraw/zinc/37/50/07/192375007.db2.gz LMKMRIVBQHEYFK-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN CCOCCC(=O)N(C)C[C@@H]1CCCN1C ZINC000421703948 192375318 /nfs/dbraw/zinc/37/53/18/192375318.db2.gz NNMFABUGOMOJQO-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421700463 192375624 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ZEMYDXMUOPRPIB-ZETCQYMHSA-N 0 3 243.307 0.117 20 0 BCADHN COCCOC1CCN(CCOCCO)CC1 ZINC000133141492 191037149 /nfs/dbraw/zinc/03/71/49/191037149.db2.gz IMNYRVUCKVDYDW-UHFFFAOYSA-N 0 3 247.335 0.123 20 0 BCADHN CCOC(=O)CCN[C@@](C)(CC)C(N)=O ZINC000133233659 191037226 /nfs/dbraw/zinc/03/72/26/191037226.db2.gz IMXADRCMQBTLAH-JTQLQIEISA-N 0 3 216.281 0.183 20 0 BCADHN CC[C@@](C)(NCCn1cccn1)C(N)=O ZINC000133131889 191037365 /nfs/dbraw/zinc/03/73/65/191037365.db2.gz VAUABLQJIUUUNK-SNVBAGLBSA-N 0 3 210.281 0.127 20 0 BCADHN Cc1nc2n(n1)C[C@@H](NCc1cncn1C)CC2 ZINC000328888278 180113249 /nfs/dbraw/zinc/11/32/49/180113249.db2.gz PKPMLAWWPATYTK-JTQLQIEISA-N 0 3 246.318 0.425 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000304523116 350162510 /nfs/dbraw/zinc/16/25/10/350162510.db2.gz FRCLEYPXMACEEP-POYBYMJQSA-N 0 3 240.225 0.120 20 0 BCADHN CCC(=O)CNC(=O)C1CCN(C2CC2)CC1 ZINC000426939431 191050787 /nfs/dbraw/zinc/05/07/87/191050787.db2.gz FSNPTPMAQCTQFQ-UHFFFAOYSA-N 0 3 238.331 0.956 20 0 BCADHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1cocn1 ZINC000105319138 191067727 /nfs/dbraw/zinc/06/77/27/191067727.db2.gz CCSXMJKHPNNVRL-VIFPVBQESA-N 0 3 235.287 0.889 20 0 BCADHN Cc1ncc(CN2C[C@H](C)[C@@H](CO)C2)cn1 ZINC000352404361 180146739 /nfs/dbraw/zinc/14/67/39/180146739.db2.gz AVWADGPUSZDGNL-JOYOIKCWSA-N 0 3 221.304 0.845 20 0 BCADHN CCN(CCO)C[C@H](O)COCc1ccco1 ZINC000068049274 350187567 /nfs/dbraw/zinc/18/75/67/350187567.db2.gz XBGUDNURWCDNIP-NSHDSACASA-N 0 3 243.303 0.471 20 0 BCADHN Cc1ncc(CNC[C@H](O)C2CC2)cn1 ZINC000309167265 180151226 /nfs/dbraw/zinc/15/12/26/180151226.db2.gz JOSGETNIXCXDRV-NSHDSACASA-N 0 3 207.277 0.646 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)[C@H](N)CC(F)F)C1 ZINC000309205985 350191704 /nfs/dbraw/zinc/19/17/04/350191704.db2.gz PYSZSRBHAAYVIH-BWZBUEFSSA-N 0 3 236.262 0.653 20 0 BCADHN Cc1ncc(CNC[C@H]2CCCN2C)cn1 ZINC000309608902 180152555 /nfs/dbraw/zinc/15/25/55/180152555.db2.gz ZKMKODJJONMEIY-GFCCVEGCSA-N 0 3 220.320 0.969 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)C(C)(C)O)C1 ZINC000427512258 191079280 /nfs/dbraw/zinc/07/92/80/191079280.db2.gz SOOUWOUALFVQPR-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN COC[C@@H]1CCCN1CCOCCO ZINC000304754366 490384992 /nfs/dbraw/zinc/38/49/92/490384992.db2.gz YULKMTVIZWLSJP-JTQLQIEISA-N 0 3 203.282 0.106 20 0 BCADHN Cc1nccc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)n1 ZINC000352854795 180185831 /nfs/dbraw/zinc/18/58/31/180185831.db2.gz AJNGIOGIYHUXAL-CYZMBNFOSA-N 0 3 233.315 0.988 20 0 BCADHN Cc1nccc(CNC(=O)[C@@H](N)C(C)C)n1 ZINC000038038109 180187795 /nfs/dbraw/zinc/18/77/95/180187795.db2.gz ICCGGQZIHRBREC-JTQLQIEISA-N 0 3 222.292 0.385 20 0 BCADHN Cc1ncccc1CN1C[C@H](O)C[C@H]1CO ZINC000359971663 180221043 /nfs/dbraw/zinc/22/10/43/180221043.db2.gz CQDSWNGCPKFVNL-NWDGAFQWSA-N 0 3 222.288 0.318 20 0 BCADHN Cc1nccn1CCCCNC(=O)C1(N)CC1 ZINC000353645251 180235160 /nfs/dbraw/zinc/23/51/60/180235160.db2.gz VMWBQANHWOLYGV-UHFFFAOYSA-N 0 3 236.319 0.579 20 0 BCADHN Cc1nccn1CCN(C)[C@@H](C)C[S@@](C)=O ZINC000274463175 180253100 /nfs/dbraw/zinc/25/31/00/180253100.db2.gz MUAUPHKHXVHBQW-MGPLVRAMSA-N 0 3 243.376 0.890 20 0 BCADHN CN(CCNC[C@@](C)(O)C(F)(F)F)C1CC1 ZINC000309270834 350248441 /nfs/dbraw/zinc/24/84/41/350248441.db2.gz KXQBWOHHDKASRJ-SECBINFHSA-N 0 3 240.269 0.984 20 0 BCADHN Cc1nccn1CCNC(=O)[C@@H]1CCCN1C ZINC000299528078 180259597 /nfs/dbraw/zinc/25/95/97/180259597.db2.gz QFEZRDPJTRTRAE-NSHDSACASA-N 0 3 236.319 0.402 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000402390444 350253284 /nfs/dbraw/zinc/25/32/84/350253284.db2.gz SYUKRSFMEKCVGL-VGMNWLOBSA-N 0 3 232.349 0.360 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1C[C@@H](CO)C1)N(C)C ZINC000637196139 350254452 /nfs/dbraw/zinc/25/44/52/350254452.db2.gz OXHLQTUZVTZDGZ-LPEHRKFASA-N 0 3 229.324 0.007 20 0 BCADHN Cc1nccn1CCCNCc1cn(C)nn1 ZINC000337952994 180245152 /nfs/dbraw/zinc/24/51/52/180245152.db2.gz HVFWFIJZDZVGPE-UHFFFAOYSA-N 0 3 234.307 0.500 20 0 BCADHN CC(C)n1ccc(CNC(=O)C(C)(C)N)n1 ZINC000521432231 259412986 /nfs/dbraw/zinc/41/29/86/259412986.db2.gz UNJXYUMWPODWTC-UHFFFAOYSA-N 0 3 224.308 0.818 20 0 BCADHN COCCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000618546303 350265854 /nfs/dbraw/zinc/26/58/54/350265854.db2.gz TYVSLWJCPHEAJK-JTQLQIEISA-N 0 3 229.324 0.416 20 0 BCADHN Cc1nccn1C[C@@H](C)CNC(=O)C(C)(C)N ZINC000237521165 180264019 /nfs/dbraw/zinc/26/40/19/180264019.db2.gz RZPSLPCMFRTBPW-VIFPVBQESA-N 0 3 238.335 0.681 20 0 BCADHN Cc1ncncc1C(=O)NCCN1CCCC1 ZINC000341892451 180292791 /nfs/dbraw/zinc/29/27/91/180292791.db2.gz QCUWKNQHHNLKKI-UHFFFAOYSA-N 0 3 234.303 0.611 20 0 BCADHN Cc1ncncc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000356367966 180293628 /nfs/dbraw/zinc/29/36/28/180293628.db2.gz CUWLJLGLWVJBOO-BDAKNGLRSA-N 0 3 234.303 0.607 20 0 BCADHN O=S1(=O)CCC[C@H](NCCN2CCCC2)C1 ZINC000068939582 350312808 /nfs/dbraw/zinc/31/28/08/350312808.db2.gz DHSJSSQKXWKHAT-NSHDSACASA-N 0 3 246.376 0.249 20 0 BCADHN CC1(C)C[C@H]1N[C@H]1CCCS(=O)(=O)C1 ZINC000068940296 350314072 /nfs/dbraw/zinc/31/40/72/350314072.db2.gz VMGSJBQMEKRQMX-DTWKUNHWSA-N 0 3 217.334 0.952 20 0 BCADHN CCOC[C@H](O)CNCc1cccnc1 ZINC000068950921 350314158 /nfs/dbraw/zinc/31/41/58/350314158.db2.gz KJBWMLNBPICRQL-LLVKDONJSA-N 0 3 210.277 0.569 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCOCC1CCC1 ZINC000309334984 350322026 /nfs/dbraw/zinc/32/20/26/350322026.db2.gz ITZKJRKMQMVBLB-SNVBAGLBSA-N 0 3 249.376 0.826 20 0 BCADHN Cc1nccnc1[C@H](C)NC[C@H](O)CN(C)C ZINC000331317374 180283011 /nfs/dbraw/zinc/28/30/11/180283011.db2.gz GDWDZBFJXHAIMD-QWRGUYRKSA-N 0 3 238.335 0.358 20 0 BCADHN COC(=O)CCCN(C)C(=O)[C@@H]1CCCCN1 ZINC000037813168 350289934 /nfs/dbraw/zinc/28/99/34/350289934.db2.gz GVBXOLITXLIQDX-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN CSCCCN1CC[C@H](CO)[C@H](O)C1 ZINC000563913854 323320772 /nfs/dbraw/zinc/32/07/72/323320772.db2.gz UNBMSOYRNDOLND-NXEZZACHSA-N 0 3 219.350 0.415 20 0 BCADHN C[C@@H](c1ccncc1)N(C)C(=O)[C@@H]1C[C@@H]1N ZINC000050463321 350343454 /nfs/dbraw/zinc/34/34/54/350343454.db2.gz SBWHVYVAGDEPFA-GDPRMGEGSA-N 0 3 219.288 0.948 20 0 BCADHN Cc1cc(CNC[C@H]2CNc3ccnn3C2)[nH]n1 ZINC000606470617 350344527 /nfs/dbraw/zinc/34/45/27/350344527.db2.gz JLYSHZGTPOJZFB-JTQLQIEISA-N 0 3 246.318 0.746 20 0 BCADHN Cc1ncoc1C(=O)NC[C@H]1CCN(C)C1 ZINC000353991856 180299694 /nfs/dbraw/zinc/29/96/94/180299694.db2.gz XDKBDVWKQSIYGU-SECBINFHSA-N 0 3 223.276 0.665 20 0 BCADHN Cc1ncoc1C(=O)NC[C@@H](C)N(C)C ZINC000353964809 180300119 /nfs/dbraw/zinc/30/01/19/180300119.db2.gz AXENOPKOPOGQTR-SSDOTTSWSA-N 0 3 211.265 0.663 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C(=O)NC[C@@H]1CCCN1C ZINC000332932034 350361668 /nfs/dbraw/zinc/36/16/68/350361668.db2.gz GVQNWRMUGRCWNP-OUAUKWLOSA-N 0 3 241.335 0.245 20 0 BCADHN CN(CCNCc1cnnn1C)CC(F)F ZINC000623831477 350331650 /nfs/dbraw/zinc/33/16/50/350331650.db2.gz ITFGFTNISKUOCF-UHFFFAOYSA-N 0 3 233.266 0.102 20 0 BCADHN C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)O)CCN1C ZINC000427858952 191096263 /nfs/dbraw/zinc/09/62/63/191096263.db2.gz UZPHWNWBTUQHEU-UWVGGRQHSA-N 0 3 228.336 0.698 20 0 BCADHN CC(C)(C)CN[C@H]1CCS(=O)(=O)C1 ZINC000040493121 350370784 /nfs/dbraw/zinc/37/07/84/350370784.db2.gz SDBRUGZDKJVJKN-QMMMGPOBSA-N 0 3 205.323 0.809 20 0 BCADHN C[C@@H]1C[C@H](NC[C@@H](O)C(F)F)[C@@H](C)O1 ZINC000384551265 350379124 /nfs/dbraw/zinc/37/91/24/350379124.db2.gz GFPZYCMQMOBXGU-OOJXKGFFSA-N 0 3 209.236 0.768 20 0 BCADHN O=C(N[C@@]12C[C@@H]1CCC2)[C@H]1CN2CCN1CCC2 ZINC000617211975 350381416 /nfs/dbraw/zinc/38/14/16/350381416.db2.gz RVLBAVKUTWJLTC-SCRDCRAPSA-N 0 3 249.358 0.435 20 0 BCADHN C[C@@H](O)C1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000225914366 350388251 /nfs/dbraw/zinc/38/82/51/350388251.db2.gz QTRPYHNKJFCLHG-VHSXEESVSA-N 0 3 228.336 0.556 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H]1CCCN(C)C1 ZINC000040673701 350393859 /nfs/dbraw/zinc/39/38/59/350393859.db2.gz MBMQXMKFMLPORV-UWVGGRQHSA-N 0 3 245.392 0.277 20 0 BCADHN Cc1ncsc1CN1[C@@H](CO)CC[C@@H]1CO ZINC000289811321 180318081 /nfs/dbraw/zinc/31/80/81/180318081.db2.gz OHRBOYPXZJNPBZ-NXEZZACHSA-N 0 3 242.344 0.769 20 0 BCADHN CCN1CC[C@H](NC[C@@H](O)C(F)(F)F)C1 ZINC000328463666 350397684 /nfs/dbraw/zinc/39/76/84/350397684.db2.gz IJVRJTZCGRHTDJ-JGVFFNPUSA-N 0 3 226.242 0.593 20 0 BCADHN NC(=O)CCN[C@H]1COc2ccccc2C1 ZINC000328488437 350399000 /nfs/dbraw/zinc/39/90/00/350399000.db2.gz RRVPHNAWOVFXHC-SNVBAGLBSA-N 0 3 220.272 0.455 20 0 BCADHN Cc1nn(C)c(C)c1CC(=O)NCCN(C)C ZINC000055176754 180336065 /nfs/dbraw/zinc/33/60/65/180336065.db2.gz BXBYKYFOJWMLPL-UHFFFAOYSA-N 0 3 238.335 0.257 20 0 BCADHN C[C@@H](CCO)NC(=O)N[C@H]1CCCN(C)C1 ZINC000606650156 350402478 /nfs/dbraw/zinc/40/24/78/350402478.db2.gz BZGCEKZOGVAGCX-UWVGGRQHSA-N 0 3 229.324 0.151 20 0 BCADHN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H](C)N ZINC000353721889 180342209 /nfs/dbraw/zinc/34/22/09/180342209.db2.gz FRJGKZOOXNRNFC-SFYZADRCSA-N 0 3 238.335 0.431 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@H](C)CC(N)=O ZINC000129337689 180342655 /nfs/dbraw/zinc/34/26/55/180342655.db2.gz AKYDZXLAKNUDHE-SSDOTTSWSA-N 0 3 224.308 0.390 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCNC(=O)C1CC1 ZINC000158513410 490539515 /nfs/dbraw/zinc/53/95/15/490539515.db2.gz RGAFSVHYPZVDTL-SNVBAGLBSA-N 0 3 241.335 0.146 20 0 BCADHN CCn1nccc1CN[C@@H]1CCC(=O)NC1 ZINC000162694433 350413421 /nfs/dbraw/zinc/41/34/21/350413421.db2.gz QVZLWVOJQXSXRH-SECBINFHSA-N 0 3 222.292 0.271 20 0 BCADHN CCN1CCN(C[C@@H]2COCCO2)CC1 ZINC000336648784 350416961 /nfs/dbraw/zinc/41/69/61/350416961.db2.gz PMVNUAQDUHUQEU-LLVKDONJSA-N 0 3 214.309 0.039 20 0 BCADHN CO[C@H]1CCC[C@H]1CNC(=O)[C@H](N)C(C)C ZINC000427937226 191102245 /nfs/dbraw/zinc/10/22/45/191102245.db2.gz XHDXXXCZCFVWQE-GARJFASQSA-N 0 3 228.336 0.901 20 0 BCADHN C[C@@H](O)[C@H]1CCN(CC(=O)N2CCCCC2)C1 ZINC000162783413 350426910 /nfs/dbraw/zinc/42/69/10/350426910.db2.gz SFHMILFFDJZLKE-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H](O)[C@@H]1CCN(CC(=O)N2CCCCC2)C1 ZINC000162783064 350426965 /nfs/dbraw/zinc/42/69/65/350426965.db2.gz SFHMILFFDJZLKE-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN Cc1c(CNC(=O)C2(N)CCC2)cnn1C ZINC000226414568 350429188 /nfs/dbraw/zinc/42/91/88/350429188.db2.gz QXUNHESFKQCJQU-UHFFFAOYSA-N 0 3 222.292 0.226 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1CC[C@H]([C@@H](C)O)C1 ZINC000162878174 350452029 /nfs/dbraw/zinc/45/20/29/350452029.db2.gz QWUBXBXRVKCTJF-TUAOUCFPSA-N 0 3 242.363 0.946 20 0 BCADHN Cc1nn(C)c2ncc(CNCCO)cc12 ZINC000082582934 180365323 /nfs/dbraw/zinc/36/53/23/180365323.db2.gz RESOMGWYCLYXRV-UHFFFAOYSA-N 0 3 220.276 0.359 20 0 BCADHN CN([C@H]1CCN(C)C1=O)[C@@H]1CCCC[C@@H]1O ZINC000162897593 350458326 /nfs/dbraw/zinc/45/83/26/350458326.db2.gz PYWSCHYBFKRHBK-VWYCJHECSA-N 0 3 226.320 0.452 20 0 BCADHN Cc1nn(C)cc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000113153184 180368593 /nfs/dbraw/zinc/36/85/93/180368593.db2.gz CSXICJDYUYIYLH-JTQLQIEISA-N 0 3 236.319 0.410 20 0 BCADHN Cc1nn(C)cc1CN[C@]1(CCO)CCOC1 ZINC000278505581 180375774 /nfs/dbraw/zinc/37/57/74/180375774.db2.gz OSLQYTJIABCMRW-GFCCVEGCSA-N 0 3 239.319 0.360 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H](C)C(=O)N(C)C)N(C)C ZINC000359334262 323353889 /nfs/dbraw/zinc/35/38/89/323353889.db2.gz SFDWVWCDSHPMSJ-VHSXEESVSA-N 0 3 243.351 0.166 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)CC(N)=O ZINC000129353008 180379017 /nfs/dbraw/zinc/37/90/17/180379017.db2.gz OIXZYNRQHWTNLS-JGVFFNPUSA-N 0 3 224.308 0.643 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NCCN(C)C ZINC000083569284 180379729 /nfs/dbraw/zinc/37/97/29/180379729.db2.gz MZDOWFCYPPCXOR-SECBINFHSA-N 0 3 210.325 0.941 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NC[C@@H](O)CN(C)C ZINC000361231220 180381204 /nfs/dbraw/zinc/38/12/04/180381204.db2.gz SIFAQXQPQBOXCZ-GXSJLCMTSA-N 0 3 240.351 0.302 20 0 BCADHN Cc1nn(C)cc1[C@H](C)N[C@@H](C)CC(N)=O ZINC000129353226 180382332 /nfs/dbraw/zinc/38/23/32/180382332.db2.gz OIXZYNRQHWTNLS-YUMQZZPRSA-N 0 3 224.308 0.643 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CCS[C@H]1C ZINC000300333945 490557376 /nfs/dbraw/zinc/55/73/76/490557376.db2.gz UUWOCWLWFAOOTK-VGMNWLOBSA-N 0 3 237.390 0.903 20 0 BCADHN Cc1cccc(CNC[C@@H](O)CN(C)C2CC2)n1 ZINC000386292046 362962475 /nfs/dbraw/zinc/96/24/75/362962475.db2.gz DAVCIXIGVCHNBP-CQSZACIVSA-N 0 3 249.358 0.935 20 0 BCADHN CCOC(=O)CCN(C)C[C@@H](O)COC(C)C ZINC000070069269 350498207 /nfs/dbraw/zinc/49/82/07/350498207.db2.gz JYIIORSWZCDEBI-LLVKDONJSA-N 0 3 247.335 0.657 20 0 BCADHN C[C@H]1C[C@@H](O)CN1C(=O)NC[C@H]1CCCN1C ZINC000637380316 350501684 /nfs/dbraw/zinc/50/16/84/350501684.db2.gz GVQNWRMUGRCWNP-HBNTYKKESA-N 0 3 241.335 0.245 20 0 BCADHN CS(=O)(=O)NCCN[C@@H]1CCCSC1 ZINC000061572352 350518587 /nfs/dbraw/zinc/51/85/87/350518587.db2.gz JTJYHTREJLLCIP-MRVPVSSYSA-N 0 3 238.378 0.021 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)[C@@H]1CCOC1)N(C)C ZINC000163419102 350521159 /nfs/dbraw/zinc/52/11/59/350521159.db2.gz AJFHGFSINFZZPZ-MNOVXSKESA-N 0 3 228.336 0.820 20 0 BCADHN CCOCC(=O)NCCN(C)C1CC1 ZINC000063117289 350571858 /nfs/dbraw/zinc/57/18/58/350571858.db2.gz BSFHWXXWRLSUOD-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cnc(N)cn2)CCN1C ZINC000228576963 350547111 /nfs/dbraw/zinc/54/71/11/350547111.db2.gz DNNDGLYEZVRPKF-BDAKNGLRSA-N 0 3 249.318 0.271 20 0 BCADHN COC[C@H](C)N1CCN(CC(C)(C)O)CC1 ZINC000070601429 350547861 /nfs/dbraw/zinc/54/78/61/350547861.db2.gz LMUTVHQPAICVRH-NSHDSACASA-N 0 3 230.352 0.410 20 0 BCADHN CC(C)(O)CN1CCN([C@H]2CCOC2)CC1 ZINC000070601424 350547951 /nfs/dbraw/zinc/54/79/51/350547951.db2.gz MYMMFGGYINSNRL-NSHDSACASA-N 0 3 228.336 0.164 20 0 BCADHN CCC(F)(F)CNC(=O)NCCN(C)C ZINC000637417608 350559397 /nfs/dbraw/zinc/55/93/97/350559397.db2.gz SDZGUAZSBDHCJW-UHFFFAOYSA-N 0 3 223.267 0.893 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@H](O)C1CC1)N(C)C ZINC000337641917 350601935 /nfs/dbraw/zinc/60/19/35/350601935.db2.gz GUCOGIUSFNRXDY-WDEREUQCSA-N 0 3 228.336 0.460 20 0 BCADHN C[C@H](CO)NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000606704071 350599546 /nfs/dbraw/zinc/59/95/46/350599546.db2.gz NUQXXNUCIHJHLT-MWLCHTKSSA-N 0 3 241.335 0.151 20 0 BCADHN COCC(COC)N[C@@H](C)[C@@H]1CCCO1 ZINC000384889983 350617580 /nfs/dbraw/zinc/61/75/80/350617580.db2.gz XSKHYWDGPLGOJY-ONGXEEELSA-N 0 3 217.309 0.805 20 0 BCADHN COC[C@@H]1CCN(CCn2ccccc2=O)C1 ZINC000606897782 350622337 /nfs/dbraw/zinc/62/23/37/350622337.db2.gz UJNMICYVRZLLHY-GFCCVEGCSA-N 0 3 236.315 0.817 20 0 BCADHN C[C@@H]1CN(C)CCN1C(=O)CCc1cnc[nH]1 ZINC000335616151 538097511 /nfs/dbraw/zinc/09/75/11/538097511.db2.gz CBVNXIXWVLXICT-SNVBAGLBSA-N 0 3 236.319 0.505 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1C[C@H](O)C[C@H](C)C1 ZINC000401523857 490682401 /nfs/dbraw/zinc/68/24/01/490682401.db2.gz DOZWSHFKCQZYGY-HBNTYKKESA-N 0 3 245.319 0.003 20 0 BCADHN C/C=C/CNC(=O)NCC1(O)CCN(C)CC1 ZINC000637484299 350643772 /nfs/dbraw/zinc/64/37/72/350643772.db2.gz FEVRMQIRVNMOAJ-ONEGZZNKSA-N 0 3 241.335 0.318 20 0 BCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)CC[NH3+] ZINC000309427121 180478483 /nfs/dbraw/zinc/47/84/83/180478483.db2.gz IVJRTPIGNKETMX-LURJTMIESA-N 0 3 247.320 0.307 20 0 BCADHN CN(C)CCNC(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000637511157 350668053 /nfs/dbraw/zinc/66/80/53/350668053.db2.gz SYEDFDRITXIPMT-MNOVXSKESA-N 0 3 241.335 0.415 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC[C@@H](CO)C1 ZINC000216422581 350713559 /nfs/dbraw/zinc/71/35/59/350713559.db2.gz HWOIZTXWBBXXTI-NXEZZACHSA-N 0 3 214.309 0.167 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H](CO)C1CCC1)N(C)C ZINC000617305263 350713660 /nfs/dbraw/zinc/71/36/60/350713660.db2.gz KSOKIQMQULNQBJ-NWDGAFQWSA-N 0 3 242.363 0.850 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000575915254 350676888 /nfs/dbraw/zinc/67/68/88/350676888.db2.gz DQAIMMMAAONNSP-RCZSTQMZSA-N 0 3 224.304 0.407 20 0 BCADHN COC(=O)c1cnc(NC[C@H](C)N(C)C)cn1 ZINC000234560595 350699834 /nfs/dbraw/zinc/69/98/34/350699834.db2.gz HJJFOQYHUVVPTF-QMMMGPOBSA-N 0 3 238.291 0.625 20 0 BCADHN CCO[C@H]1C[C@H](NC(=O)C(C)S(C)(=O)=O)C1 ZINC000617960552 350745230 /nfs/dbraw/zinc/74/52/30/350745230.db2.gz CLEQMXMYGXCRAV-CIUDSAMLSA-N 0 3 249.332 0.103 20 0 BCADHN CCO[C@@H]1C[C@@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC000577581044 366003693 /nfs/dbraw/zinc/00/36/93/366003693.db2.gz YRRWGPKSBSEDGD-AXFHLTTASA-N 0 3 228.336 0.866 20 0 BCADHN CC[C@@H](O)CN1CCC[C@H](c2nnc[nH]2)C1 ZINC000339044720 350728719 /nfs/dbraw/zinc/72/87/19/350728719.db2.gz TYYFDJLSPOAHQG-VHSXEESVSA-N 0 3 224.308 0.755 20 0 BCADHN CC(C)N(C)CCNC(=O)[C@@H]1CCC(=O)C1 ZINC000564573187 350734187 /nfs/dbraw/zinc/73/41/87/350734187.db2.gz VDOCXFFZHRRWOR-SNVBAGLBSA-N 0 3 226.320 0.812 20 0 BCADHN CC[C@@H](O)CN(C)CCN1CCOC(C)(C)C1 ZINC000339138532 350734794 /nfs/dbraw/zinc/73/47/94/350734794.db2.gz VDKZGZDNEXHQGO-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN CS(=O)(=O)N1CCc2ccccc2[C@@H]1CN ZINC000159507560 350815501 /nfs/dbraw/zinc/81/55/01/350815501.db2.gz HMCBNZXENMPTHG-NSHDSACASA-N 0 3 240.328 0.504 20 0 BCADHN CC(C)(C)N1CC[C@@H](NC(=O)C(C)(C)CO)C1 ZINC000617344228 350772542 /nfs/dbraw/zinc/77/25/42/350772542.db2.gz DJYYDVQISSJZBW-SNVBAGLBSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)(C)N1CC[C@H](NC(=O)C(C)(C)CO)C1 ZINC000617344227 350772583 /nfs/dbraw/zinc/77/25/83/350772583.db2.gz DJYYDVQISSJZBW-JTQLQIEISA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000617343461 350772798 /nfs/dbraw/zinc/77/27/98/350772798.db2.gz TZANIMPADUFBNL-MNOVXSKESA-N 0 3 242.363 0.992 20 0 BCADHN CN(c1nc(N)nc(N)n1)C1CCCCC1 ZINC000623788185 362982465 /nfs/dbraw/zinc/98/24/65/362982465.db2.gz RBZAIOAWTHFQTP-UHFFFAOYSA-N 0 3 222.296 0.466 20 0 BCADHN OC[C@@H]1CN(Cc2cccc3n[nH]cc32)C[C@@H]1O ZINC000628308278 350781336 /nfs/dbraw/zinc/78/13/36/350781336.db2.gz FRBUSJLUIWZAEA-GWCFXTLKSA-N 0 3 247.298 0.348 20 0 BCADHN COc1ncncc1CNCCc1cncn1C ZINC000623085775 350842687 /nfs/dbraw/zinc/84/26/87/350842687.db2.gz DYNTUBLTBYSIOE-UHFFFAOYSA-N 0 3 247.302 0.551 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCC=C(C)C1 ZINC000382506808 350849071 /nfs/dbraw/zinc/84/90/71/350849071.db2.gz XZZAUHKDJMHTJP-LLVKDONJSA-N 0 3 227.304 0.953 20 0 BCADHN CCOCCN(C)CCNC(=O)NC(C)C ZINC000571162340 350865855 /nfs/dbraw/zinc/86/58/55/350865855.db2.gz STZIHBAWRPADDQ-UHFFFAOYSA-N 0 3 231.340 0.662 20 0 BCADHN CN(CCn1nc2ccccn2c1=O)CC1CC1 ZINC000052128520 350936275 /nfs/dbraw/zinc/93/62/75/350936275.db2.gz AGDQYZBXFRGZOO-UHFFFAOYSA-N 0 3 246.314 0.838 20 0 BCADHN Cc1ccc(NC(=O)NC2(CCO)CNC2)cc1 ZINC000397984593 350990788 /nfs/dbraw/zinc/99/07/88/350990788.db2.gz YLIBWDQIEQHWQQ-UHFFFAOYSA-N 0 3 249.314 0.841 20 0 BCADHN Cc1ncc(CNC[C@@H](O)CN(C)C2CC2)o1 ZINC000398083146 351004323 /nfs/dbraw/zinc/00/43/23/351004323.db2.gz SQESNVDYNGORNF-LLVKDONJSA-N 0 3 239.319 0.528 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H](CO)C(C)C ZINC000086125626 350949924 /nfs/dbraw/zinc/94/99/24/350949924.db2.gz IHUNCKXRKKLPRB-DTWKUNHWSA-N 0 3 234.365 0.200 20 0 BCADHN CN1CCC[C@@H](NC(=O)NCC2CC2)C1 ZINC000052521916 351010272 /nfs/dbraw/zinc/01/02/72/351010272.db2.gz LBVYKFRLIHFXNG-SNVBAGLBSA-N 0 3 211.309 0.790 20 0 BCADHN CN1CC[C@@H]2CN(c3ncncc3C#N)C[C@@H]2C1 ZINC000386471569 362997382 /nfs/dbraw/zinc/99/73/82/362997382.db2.gz HGBFHEYTIQMQAO-PWSUYJOCSA-N 0 3 243.314 0.736 20 0 BCADHN CN1CCOC[C@H]1CNCc1ccc(CO)o1 ZINC000623712064 362992742 /nfs/dbraw/zinc/99/27/42/362992742.db2.gz WUGYTAADWIVWQS-SNVBAGLBSA-N 0 3 240.303 0.192 20 0 BCADHN CC(C)N(C)CC(=O)N1CCN(C)CC1 ZINC000070944263 351126319 /nfs/dbraw/zinc/12/63/19/351126319.db2.gz RNSMZZGDLSSQMV-UHFFFAOYSA-N 0 3 213.325 0.101 20 0 BCADHN OCCN1CCNC[C@@H]1c1cccnc1 ZINC000616635989 351121424 /nfs/dbraw/zinc/12/14/24/351121424.db2.gz HUKAQOYRFQYODS-LLVKDONJSA-N 0 3 207.277 0.020 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCCn1ccnc1 ZINC000382937763 351074591 /nfs/dbraw/zinc/07/45/91/351074591.db2.gz HRTGPPONIJRWOU-VIFPVBQESA-N 0 3 222.292 0.140 20 0 BCADHN C[C@H]1C[C@@H](O)CCN1C(=O)[C@@H]1CCCN1C ZINC000582140020 351150590 /nfs/dbraw/zinc/15/05/90/351150590.db2.gz PKCCRZOLCBBBFS-DCAQKATOSA-N 0 3 226.320 0.452 20 0 BCADHN COC[C@@H](NC(=O)CNC(C)C)C(C)C ZINC000083399323 351232594 /nfs/dbraw/zinc/23/25/94/351232594.db2.gz AZDDIQLZHVESPA-SNVBAGLBSA-N 0 3 216.325 0.772 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](COC)C(C)C ZINC000083399373 351232744 /nfs/dbraw/zinc/23/27/44/351232744.db2.gz WFQCDTAVOOMZHG-DTWKUNHWSA-N 0 3 202.298 0.382 20 0 BCADHN Cc1nc(C)c(CN[C@H]2C[C@@H](C(N)=O)C2)o1 ZINC000628324068 351235878 /nfs/dbraw/zinc/23/58/78/351235878.db2.gz BSXKDDUNNZHUSM-DTORHVGOSA-N 0 3 223.276 0.645 20 0 BCADHN Cc1nc(C)c(CNCC[C@]2(O)CCOC2)o1 ZINC000628324284 351236057 /nfs/dbraw/zinc/23/60/57/351236057.db2.gz MTXWGTWWIAQLCA-LBPRGKRZSA-N 0 3 240.303 0.923 20 0 BCADHN Cc1ncc(CNCC[C@@]2(O)CCOC2)o1 ZINC000628324357 351236591 /nfs/dbraw/zinc/23/65/91/351236591.db2.gz PXKARDAHAPATQA-LLVKDONJSA-N 0 3 226.276 0.614 20 0 BCADHN CN(C)CCn1cc(NCc2ccnn2C)cn1 ZINC000236997846 351262518 /nfs/dbraw/zinc/26/25/18/351262518.db2.gz CRSCFIUQQBLDMG-UHFFFAOYSA-N 0 3 248.334 0.790 20 0 BCADHN CNC(=O)CCN(C)CCOC[C@@H]1CCCO1 ZINC000607358068 351333220 /nfs/dbraw/zinc/33/32/20/351333220.db2.gz VSLYXEYQECTYFS-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CCN1CCCN(c2nccn(C)c2=O)CC1 ZINC000266344384 351290107 /nfs/dbraw/zinc/29/01/07/351290107.db2.gz IOHXTDGHCKWWEJ-UHFFFAOYSA-N 0 3 236.319 0.312 20 0 BCADHN CC[C@H]1CCC[C@H]1NCc1nnnn1C ZINC000379930429 351291884 /nfs/dbraw/zinc/29/18/84/351291884.db2.gz OENDJMWSAHOBMI-DTWKUNHWSA-N 0 3 209.297 0.878 20 0 BCADHN CC1(C)C[C@H]1N[C@@H]1CCCS(=O)(=O)C1 ZINC000068940292 351296745 /nfs/dbraw/zinc/29/67/45/351296745.db2.gz VMGSJBQMEKRQMX-RKDXNWHRSA-N 0 3 217.334 0.952 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)C1(CO)CC1)N(C)C ZINC000617901326 351304460 /nfs/dbraw/zinc/30/44/60/351304460.db2.gz DZJURTVGRZDIFO-ZJUUUORDSA-N 0 3 228.336 0.604 20 0 BCADHN CCN1CCCN(c2ccc(C(N)=O)nn2)CC1 ZINC000267222383 351305221 /nfs/dbraw/zinc/30/52/21/351305221.db2.gz ODLSWJCIPPWPEX-UHFFFAOYSA-N 0 3 249.318 0.108 20 0 BCADHN CC[C@@H](C)NS(=O)(=O)CCCN(C)C ZINC000631633417 351312544 /nfs/dbraw/zinc/31/25/44/351312544.db2.gz BQZFEFYNJQWUTI-SECBINFHSA-N 0 3 222.354 0.656 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](COC)C(C)C ZINC000083409846 351265561 /nfs/dbraw/zinc/26/55/61/351265561.db2.gz ZASPYZJCEYQVON-BDAKNGLRSA-N 0 3 202.298 0.511 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](COC)C(C)C ZINC000083409847 351265627 /nfs/dbraw/zinc/26/56/27/351265627.db2.gz ZASPYZJCEYQVON-DTWKUNHWSA-N 0 3 202.298 0.511 20 0 BCADHN CC(C)CN(CC(N)=O)C(=O)/C=C/CN(C)C ZINC000265690717 351273994 /nfs/dbraw/zinc/27/39/94/351273994.db2.gz YOVBWZQBJCOJDI-AATRIKPKSA-N 0 3 241.335 0.074 20 0 BCADHN CCN1CCC(NC(=O)c2cn(C)cn2)CC1 ZINC000270266912 351377419 /nfs/dbraw/zinc/37/74/19/351377419.db2.gz ZFFLFNJLQJZIAX-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN COCCN1CC[C@H](NCc2ccns2)C1 ZINC000404291152 351340809 /nfs/dbraw/zinc/34/08/09/351340809.db2.gz LDLYUYJYWUPGNH-JTQLQIEISA-N 0 3 241.360 0.953 20 0 BCADHN COC[C@H](C)N[C@H](C)C(=O)NC(C)C ZINC000034937196 351351236 /nfs/dbraw/zinc/35/12/36/351351236.db2.gz LEYQTSFMYAMGSC-DTWKUNHWSA-N 0 3 202.298 0.524 20 0 BCADHN CCOC(=O)N1CCC(N[C@H](C)C(N)=O)CC1 ZINC000034937455 351352381 /nfs/dbraw/zinc/35/23/81/351352381.db2.gz QOYJFNCRWWDKFK-MRVPVSSYSA-N 0 3 243.307 0.071 20 0 BCADHN CCOCCN(C)C[C@H](O)COC(C)C ZINC000087978647 351447285 /nfs/dbraw/zinc/44/72/85/351447285.db2.gz KXSVPVLIYDRCJU-NSHDSACASA-N 0 3 219.325 0.741 20 0 BCADHN COC[C@@H](C)CN[C@H](C)c1nncn1C ZINC000163310114 351507625 /nfs/dbraw/zinc/50/76/25/351507625.db2.gz TWJMCUFMMZJZLF-DTWKUNHWSA-N 0 3 212.297 0.748 20 0 BCADHN CC[C@H](C(N)=O)N1CCC(OC)CC1 ZINC000061679038 191135483 /nfs/dbraw/zinc/13/54/83/191135483.db2.gz JGICUOFLUMZLJP-SECBINFHSA-N 0 3 200.282 0.361 20 0 BCADHN Cc1cnccc1CNC[C@H]1COCCN1C ZINC000623712962 363058070 /nfs/dbraw/zinc/05/80/70/363058070.db2.gz PELXWBRAACUPCD-ZDUSSCGKSA-N 0 3 235.331 0.810 20 0 BCADHN CN(C(=O)C1(N)CCC1)[C@@H]1CCSC1 ZINC000088050261 351533237 /nfs/dbraw/zinc/53/32/37/351533237.db2.gz WDGATMSZKLJSAI-MRVPVSSYSA-N 0 3 214.334 0.832 20 0 BCADHN Cc1ccc(CNC(=O)NCCN(C)C)o1 ZINC000637689271 351535122 /nfs/dbraw/zinc/53/51/22/351535122.db2.gz JFKKUWRWNWOSEA-UHFFFAOYSA-N 0 3 225.292 0.949 20 0 BCADHN NC1(C(=O)N[C@H]2CCN(C3CC3)C2)CCC1 ZINC000088050924 351539212 /nfs/dbraw/zinc/53/92/12/351539212.db2.gz DTDHXXZUYWNARD-VIFPVBQESA-N 0 3 223.320 0.221 20 0 BCADHN 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MKQJHUYDISYHER-JTQLQIEISA-N 0 3 236.315 0.793 20 0 BCADHN CCCN(CC(=O)N(C)C)C(=O)[C@H](C)NCC ZINC000637943822 351820422 /nfs/dbraw/zinc/82/04/22/351820422.db2.gz WZKYDHYQVIOVCR-JTQLQIEISA-N 0 3 243.351 0.311 20 0 BCADHN CC(=O)NCCN(C)C[C@H]1CC[C@H](C)O1 ZINC000577846521 366082368 /nfs/dbraw/zinc/08/23/68/366082368.db2.gz HVGSSZFWBIOSSN-GXSJLCMTSA-N 0 3 214.309 0.622 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1c(C)noc1C ZINC000637955458 351830648 /nfs/dbraw/zinc/83/06/48/351830648.db2.gz LWTKIAJFNHTFNM-QMMMGPOBSA-N 0 3 225.292 0.906 20 0 BCADHN CCN[C@@H](C)C(=O)NC(C)(C)COC ZINC000637964795 351838668 /nfs/dbraw/zinc/83/86/68/351838668.db2.gz LUPIVNIXRYJDGZ-QMMMGPOBSA-N 0 3 202.298 0.526 20 0 BCADHN CCN[C@H](C)C(=O)N(C)CCCOC ZINC000637957836 351833566 /nfs/dbraw/zinc/83/35/66/351833566.db2.gz JGSPKXRQUHZCLD-SECBINFHSA-N 0 3 202.298 0.479 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NCCCC(N)=O ZINC000637932361 351807718 /nfs/dbraw/zinc/80/77/18/351807718.db2.gz BWHWHXFFHUBIKT-SECBINFHSA-N 0 3 229.324 0.132 20 0 BCADHN CO[C@@H]1CN[C@](C)(C(=O)Nc2cn[nH]c2)C1 ZINC000637931595 351808825 /nfs/dbraw/zinc/80/88/25/351808825.db2.gz COBDWWXREQCEOK-WPRPVWTQSA-N 0 3 224.264 0.115 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1Cc2ccccc21 ZINC000637936082 351812200 /nfs/dbraw/zinc/81/22/00/351812200.db2.gz NWKVLIUKVQWKGJ-RTXFEEFZSA-N 0 3 246.310 0.559 20 0 BCADHN CCN[C@H](C)C(=O)N(C)[C@H]1CCOC1 ZINC000637981728 351856370 /nfs/dbraw/zinc/85/63/70/351856370.db2.gz WQXPBOKQNWKSIN-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)[C@H]1CCOC1 ZINC000637981730 351856620 /nfs/dbraw/zinc/85/66/20/351856620.db2.gz WQXPBOKQNWKSIN-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@@H]1CCCN1Cc1cnc(N)nc1N ZINC000637965448 351840057 /nfs/dbraw/zinc/84/00/57/351840057.db2.gz RYQWIIWKGZYRJM-SECBINFHSA-N 0 3 221.308 0.676 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000637985338 351861075 /nfs/dbraw/zinc/86/10/75/351861075.db2.gz DNZSWJCWAUEBST-IUCAKERBSA-N 0 3 224.308 0.595 20 0 BCADHN C[C@@H]1CCN(Cc2cnc(N)nc2N)C1 ZINC000637971946 351847133 /nfs/dbraw/zinc/84/71/33/351847133.db2.gz VPOZGMZKCRLQFA-SSDOTTSWSA-N 0 3 207.281 0.144 20 0 BCADHN CNC(=O)[C@@H](C)NC(=O)[C@H](N)CCC(C)C ZINC000638005024 351879824 /nfs/dbraw/zinc/87/98/24/351879824.db2.gz KBLSAAVDUMYOCD-RKDXNWHRSA-N 0 3 229.324 0.001 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](CCO)C(C)C ZINC000637991341 351864887 /nfs/dbraw/zinc/86/48/87/351864887.db2.gz LOLFXOUVTAVTQC-VHSXEESVSA-N 0 3 216.325 0.508 20 0 BCADHN CCN[C@H](C)C(=O)N1CCC[C@H](COC)C1 ZINC000637991145 351865337 /nfs/dbraw/zinc/86/53/37/351865337.db2.gz KEZGSFZBMMHIIU-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CCN[C@H](C)C(=O)Nc1cccn(C)c1=O ZINC000637990347 351867009 /nfs/dbraw/zinc/86/70/09/351867009.db2.gz HGDZPXUAHPCNJK-MRVPVSSYSA-N 0 3 223.276 0.322 20 0 BCADHN CCN[C@H](C)C(=O)NCc1cc(CC)no1 ZINC000637993576 351867379 /nfs/dbraw/zinc/86/73/79/351867379.db2.gz ZXLMSLQQKFOQOA-MRVPVSSYSA-N 0 3 225.292 0.851 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@H](O)C(CC)CC ZINC000637994114 351868799 /nfs/dbraw/zinc/86/87/99/351868799.db2.gz VTSVVNBIWDFUIU-MWLCHTKSSA-N 0 3 230.352 0.898 20 0 BCADHN CCN[C@@H](C)C(=O)N1CC[C@@H](COC)C1 ZINC000637992614 351869646 /nfs/dbraw/zinc/86/96/46/351869646.db2.gz SSNVCGRXTPDEIT-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@]1(C)CCOC1 ZINC000637992983 351870638 /nfs/dbraw/zinc/87/06/38/351870638.db2.gz NOKMCHYWBHPQKN-ONGXEEELSA-N 0 3 214.309 0.527 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000637999229 351876141 /nfs/dbraw/zinc/87/61/41/351876141.db2.gz LFDDKJYFWVLKRG-WCBMZHEXSA-N 0 3 236.319 0.901 20 0 BCADHN COCCN(CCC[C@H]1CCO1)[C@H](C)C(N)=O ZINC000638037637 351917833 /nfs/dbraw/zinc/91/78/33/351917833.db2.gz QVNBYTKKDXXSDE-MNOVXSKESA-N 0 3 244.335 0.378 20 0 BCADHN CCN[C@H](C)C(=O)N(C)C[C@@H]1CCOC1 ZINC000638036962 351919104 /nfs/dbraw/zinc/91/91/04/351919104.db2.gz YUCSFDNEURJDKU-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)C[C@@H]1CCOC1 ZINC000638036959 351919362 /nfs/dbraw/zinc/91/93/62/351919362.db2.gz YUCSFDNEURJDKU-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)[C@H]1C ZINC000638040391 351921024 /nfs/dbraw/zinc/92/10/24/351921024.db2.gz NNXLJKMHTHVJPW-XFWSIPNHSA-N 0 3 212.293 0.360 20 0 BCADHN CC(C)[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638040986 351922687 /nfs/dbraw/zinc/92/26/87/351922687.db2.gz HTEXVTCIRLMZJL-OUAUKWLOSA-N 0 3 226.320 0.607 20 0 BCADHN CO[C@H]1CN[C@](C)(C(=O)Nc2ccccn2)C1 ZINC000638047739 351924725 /nfs/dbraw/zinc/92/47/25/351924725.db2.gz LHBWJCYUAOZCDJ-SKDRFNHKSA-N 0 3 235.287 0.787 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1c2c(nn1C)CCC2 ZINC000638046167 351925147 /nfs/dbraw/zinc/92/51/47/351925147.db2.gz RKCGLAQYUVEQSM-QMMMGPOBSA-N 0 3 236.319 0.845 20 0 BCADHN CCN[C@H](C)C(=O)Nc1c2c(nn1C)CCC2 ZINC000638046165 351925166 /nfs/dbraw/zinc/92/51/66/351925166.db2.gz RKCGLAQYUVEQSM-MRVPVSSYSA-N 0 3 236.319 0.845 20 0 BCADHN CCN[C@@H](C)C(=O)NCCc1ccccn1 ZINC000638049467 351927618 /nfs/dbraw/zinc/92/76/18/351927618.db2.gz WWZAARAIJFMLSZ-JTQLQIEISA-N 0 3 221.304 0.738 20 0 BCADHN CO[C@@H]1CN[C@](C)(C(=O)Nc2ccncc2)C1 ZINC000638049282 351927652 /nfs/dbraw/zinc/92/76/52/351927652.db2.gz ZBBMTGFOUMJKAR-JQWIXIFHSA-N 0 3 235.287 0.209 20 0 BCADHN CCC[C@@H](CN(CCO)CCCO)OC ZINC000638070729 351942129 /nfs/dbraw/zinc/94/21/29/351942129.db2.gz VSFWYXHTQQVMNJ-NSHDSACASA-N 0 3 219.325 0.478 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1nnc2ccccn21 ZINC000638071770 351943466 /nfs/dbraw/zinc/94/34/66/351943466.db2.gz AJKUNQNIEPBTGS-QMMMGPOBSA-N 0 3 233.275 0.666 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@@H](N)CCC(C)C)C1 ZINC000638008934 351885719 /nfs/dbraw/zinc/88/57/19/351885719.db2.gz XUPHPVXZLMFMBO-QWRGUYRKSA-N 0 3 228.336 0.997 20 0 BCADHN CC(C)[C@@H](C)CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638010535 351887042 /nfs/dbraw/zinc/88/70/42/351887042.db2.gz FUMRATDZBHGSQJ-LPEHRKFASA-N 0 3 214.309 0.511 20 0 BCADHN CCN[C@@H](C)C(=O)NCCc1nccs1 ZINC000638074890 351945260 /nfs/dbraw/zinc/94/52/60/351945260.db2.gz BFVHKTAQWHVCCG-QMMMGPOBSA-N 0 3 227.333 0.800 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000638015597 351892452 /nfs/dbraw/zinc/89/24/52/351892452.db2.gz QBRHJFYVUXXJEI-OPRDCNLKSA-N 0 3 241.335 0.145 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@H](C)C[C@@H](C)O ZINC000638015234 351892555 /nfs/dbraw/zinc/89/25/55/351892555.db2.gz IRRGOGWVCIEALS-IVZWLZJFSA-N 0 3 216.325 0.508 20 0 BCADHN C[C@@H](C[C@H]1CCOC1)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638017198 351895479 /nfs/dbraw/zinc/89/54/79/351895479.db2.gz AEWLMEABTYWSML-ZRUFSTJUSA-N 0 3 242.319 0.034 20 0 BCADHN CC(C)CC[C@H]([NH3+])C(=O)NCCc1nnc[n-]1 ZINC000638021311 351900538 /nfs/dbraw/zinc/90/05/38/351900538.db2.gz KFTWKXSZZLGCJI-VIFPVBQESA-N 0 3 239.323 0.227 20 0 BCADHN C[C@]1(CNC(=O)[C@@H]2OCC[C@@H]2N)CCCS1 ZINC000638029093 351909358 /nfs/dbraw/zinc/90/93/58/351909358.db2.gz LRIBQRSCJKKMBZ-IQJOONFLSA-N 0 3 244.360 0.505 20 0 BCADHN CC[C@H](C)[C@H](CN1CCNC(=O)CC1)OC ZINC000638028550 351911009 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PPAHILXAPZHUHD-SNVBAGLBSA-N 0 3 247.360 0.458 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1nccn1C(F)F ZINC000638086867 351963678 /nfs/dbraw/zinc/96/36/78/351963678.db2.gz KUORPPAIKVWKLK-ZETCQYMHSA-N 0 3 246.261 0.892 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1ccc[nH]c1=O ZINC000638091679 351970218 /nfs/dbraw/zinc/97/02/18/351970218.db2.gz PNJHYJKKQRAYOI-ZETCQYMHSA-N 0 3 209.249 0.724 20 0 BCADHN C[C@@H]1CC[C@H](C)N(Cc2cnc(N)nc2N)C1 ZINC000638093762 351973093 /nfs/dbraw/zinc/97/30/93/351973093.db2.gz FHQYEDMNJVMAIQ-BDAKNGLRSA-N 0 3 235.335 0.922 20 0 BCADHN COCCNCCNC(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000638151473 352012119 /nfs/dbraw/zinc/01/21/19/352012119.db2.gz CVHSDISSMYUSKA-HBNTYKKESA-N 0 3 244.335 0.152 20 0 BCADHN O=C(NC[C@@H]1CCOC1)C12CCCN1CCC2 ZINC000339252560 191144680 /nfs/dbraw/zinc/14/46/80/191144680.db2.gz HACCCCLKNNZZPD-NSHDSACASA-N 0 3 238.331 0.768 20 0 BCADHN C[C@@H]1C[C@H](C)CN1Cc1cnc(N)nc1N ZINC000638112328 351989123 /nfs/dbraw/zinc/98/91/23/351989123.db2.gz YDOBEXIYZJXJGG-JGVFFNPUSA-N 0 3 221.308 0.532 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)Nc1ccc2nccn2c1 ZINC000638116716 351991549 /nfs/dbraw/zinc/99/15/49/351991549.db2.gz OXZKASNJJRVOFS-KOLCDFICSA-N 0 3 246.270 0.389 20 0 BCADHN CC1(C)[C@@H]2CN(Cc3cnc(N)nc3N)C[C@@H]21 ZINC000638117538 351993095 /nfs/dbraw/zinc/99/30/95/351993095.db2.gz MJYMEEWZUCLRAO-DTORHVGOSA-N 0 3 233.319 0.390 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](C)Cn1cccn1 ZINC000638141924 352006036 /nfs/dbraw/zinc/00/60/36/352006036.db2.gz PELDXZOJYICQOE-ZJUUUORDSA-N 0 3 224.308 0.386 20 0 BCADHN CO[C@@](C)(CN(C)[C@H]1CCNC1=O)C1CC1 ZINC000638180402 352043716 /nfs/dbraw/zinc/04/37/16/352043716.db2.gz CZTZQZORJXHESB-JQWIXIFHSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@H]1CN(Cc2ccc(=O)[nH]c2)C[C@H]1O ZINC000638182259 352049406 /nfs/dbraw/zinc/04/94/06/352049406.db2.gz KDWGCLWNFARFLA-GHMZBOCLSA-N 0 3 222.288 0.990 20 0 BCADHN CC[C@H](NC(C)=O)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000638203291 352063873 /nfs/dbraw/zinc/06/38/73/352063873.db2.gz DRMXVYXWDCNLGZ-NGZCFLSTSA-N 0 3 241.335 0.110 20 0 BCADHN C[C@H]1NCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@H]1C ZINC000638203768 352064957 /nfs/dbraw/zinc/06/49/57/352064957.db2.gz HNPHWOKIBMOOJJ-LMLFDSFASA-N 0 3 248.330 0.722 20 0 BCADHN C[C@H]1NCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H]1C ZINC000638203768 352064958 /nfs/dbraw/zinc/06/49/58/352064958.db2.gz HNPHWOKIBMOOJJ-LMLFDSFASA-N 0 3 248.330 0.722 20 0 BCADHN Cc1conc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000638205259 352067354 /nfs/dbraw/zinc/06/73/54/352067354.db2.gz OFCNBSPVCNDWLG-RKDXNWHRSA-N 0 3 223.276 0.805 20 0 BCADHN CC[C@H](C(=O)N1CCN[C@@H](C)[C@@H]1C)N(C)C ZINC000638205595 352067467 /nfs/dbraw/zinc/06/74/67/352067467.db2.gz IMDBGFYVUKRMFP-GARJFASQSA-N 0 3 227.352 0.535 20 0 BCADHN Cc1nccn1CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000638205609 352068098 /nfs/dbraw/zinc/06/80/98/352068098.db2.gz IXJBVDOMSMTAMK-UWVGGRQHSA-N 0 3 236.319 0.400 20 0 BCADHN C[C@H](C(=O)N1CCN[C@H](C)[C@@H]1C)N(C)C ZINC000638207108 352069165 /nfs/dbraw/zinc/06/91/65/352069165.db2.gz XZIQPEUJTYWJCJ-KXUCPTDWSA-N 0 3 213.325 0.145 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cc(=O)[nH]cn2)[C@H]1C ZINC000638206667 352069422 /nfs/dbraw/zinc/06/94/22/352069422.db2.gz MUWSNPFNFGUBNZ-SFYZADRCSA-N 0 3 236.275 0.005 20 0 BCADHN COC1CC(C(=O)N2CCN[C@H](C)[C@H]2C)C1 ZINC000638207639 352069615 /nfs/dbraw/zinc/06/96/15/352069615.db2.gz QJWDYXHTFCYKQV-NKVNRFPTSA-N 0 3 226.320 0.620 20 0 BCADHN Cc1ccnc(C(=O)N2CCN[C@@H](C)[C@@H]2C)n1 ZINC000638208605 352070440 /nfs/dbraw/zinc/07/04/40/352070440.db2.gz VFSKIVOVTWITRJ-UWVGGRQHSA-N 0 3 234.303 0.607 20 0 BCADHN C[C@H]1NCCN(C(=O)C23CC(C2)C3)[C@H]1C ZINC000638208576 352070455 /nfs/dbraw/zinc/07/04/55/352070455.db2.gz UYWCNOKRODNKSX-GHHKWEBWSA-N 0 3 208.305 0.995 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000638208926 352071669 /nfs/dbraw/zinc/07/16/69/352071669.db2.gz WVXPZRXRUGVZBX-TUAOUCFPSA-N 0 3 241.379 0.959 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000638208928 352071745 /nfs/dbraw/zinc/07/17/45/352071745.db2.gz WVXPZRXRUGVZBX-WOPDTQHZSA-N 0 3 241.379 0.959 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cccnn1 ZINC000638155107 352015858 /nfs/dbraw/zinc/01/58/58/352015858.db2.gz DQPSIFBAZKZUET-DTWKUNHWSA-N 0 3 220.276 0.299 20 0 BCADHN C[C@@]1(O)CCN(Cc2ccc(=O)[nH]c2)C1 ZINC000638153324 352017290 /nfs/dbraw/zinc/01/72/90/352017290.db2.gz NQPAWIOBGPQMHQ-LLVKDONJSA-N 0 3 208.261 0.744 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000638156061 352019052 /nfs/dbraw/zinc/01/90/52/352019052.db2.gz RGEPXZXLZWDCDE-VIFPVBQESA-N 0 3 248.330 0.664 20 0 BCADHN Cc1nccn1CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000638156085 352019251 /nfs/dbraw/zinc/01/92/51/352019251.db2.gz GOHGKGLNSHZNRM-ZJUUUORDSA-N 0 3 236.319 0.400 20 0 BCADHN CSCCN(C)C(=O)[C@@H](C)NC1CC1 ZINC000383036093 352019301 /nfs/dbraw/zinc/01/93/01/352019301.db2.gz JVPKNRNOPLDWNX-MRVPVSSYSA-N 0 3 216.350 0.948 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](C)NC[C@H]1C)N(C)C ZINC000638157979 352022092 /nfs/dbraw/zinc/02/20/92/352022092.db2.gz NMKACZUHXLBWTA-GMTAPVOTSA-N 0 3 227.352 0.535 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000638158382 352022494 /nfs/dbraw/zinc/02/24/94/352022494.db2.gz PRLHYISTTKYLNZ-DTWKUNHWSA-N 0 3 236.319 0.469 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)[C@@H](C)N(C)C ZINC000638159073 352023212 /nfs/dbraw/zinc/02/32/12/352023212.db2.gz OCBFFMXTMZWBEG-GHMZBOCLSA-N 0 3 227.352 0.537 20 0 BCADHN CNc1cnc(C(=O)N2C[C@@H](C)NC[C@H]2C)cn1 ZINC000638159952 352023791 /nfs/dbraw/zinc/02/37/91/352023791.db2.gz UBHAXRXSNOKNBE-RKDXNWHRSA-N 0 3 249.318 0.341 20 0 BCADHN Cc1conc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000638159679 352023817 /nfs/dbraw/zinc/02/38/17/352023817.db2.gz SKXASAQTOHOIJS-RKDXNWHRSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1conc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000638159678 352024019 /nfs/dbraw/zinc/02/40/19/352024019.db2.gz SKXASAQTOHOIJS-IUCAKERBSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1nc[nH]c1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000638160066 352025008 /nfs/dbraw/zinc/02/50/08/352025008.db2.gz UXZXLRRKBOKXQB-SFYZADRCSA-N 0 3 222.292 0.541 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000638158030 352025599 /nfs/dbraw/zinc/02/55/99/352025599.db2.gz NYHPJJBRTAPWEH-WOPDTQHZSA-N 0 3 241.379 0.959 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@@H](C)CN1 ZINC000638157857 352025652 /nfs/dbraw/zinc/02/56/52/352025652.db2.gz GFTOGTYYUCCOCE-LMLFDSFASA-N 0 3 248.330 0.722 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H](C)CN1 ZINC000638157857 352025656 /nfs/dbraw/zinc/02/56/56/352025656.db2.gz GFTOGTYYUCCOCE-LMLFDSFASA-N 0 3 248.330 0.722 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000638157858 352025776 /nfs/dbraw/zinc/02/57/76/352025776.db2.gz GFTOGTYYUCCOCE-LNFKQOIKSA-N 0 3 248.330 0.722 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000638157858 352025778 /nfs/dbraw/zinc/02/57/78/352025778.db2.gz GFTOGTYYUCCOCE-LNFKQOIKSA-N 0 3 248.330 0.722 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)c1ncon1 ZINC000638170599 352035463 /nfs/dbraw/zinc/03/54/63/352035463.db2.gz KWUDOIKTNRLXTK-RNFRBKRXSA-N 0 3 212.253 0.245 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)c1ncon1 ZINC000638170593 352035583 /nfs/dbraw/zinc/03/55/83/352035583.db2.gz KWUDOIKTNRLXTK-NKWVEPMBSA-N 0 3 212.253 0.245 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CCCOCC1 ZINC000638288508 352122736 /nfs/dbraw/zinc/12/27/36/352122736.db2.gz RYEZHMZITSJBIF-ZJUUUORDSA-N 0 3 214.309 0.670 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H]1CCCOCC1 ZINC000638288507 352122803 /nfs/dbraw/zinc/12/28/03/352122803.db2.gz RYEZHMZITSJBIF-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN COCCCNCc1cc2c(cn1)OCCO2 ZINC000638288958 352126546 /nfs/dbraw/zinc/12/65/46/352126546.db2.gz HCKUUFUHOJEVBA-UHFFFAOYSA-N 0 3 238.287 0.979 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@](CC)(C(N)=O)C(C)C ZINC000638297586 352130112 /nfs/dbraw/zinc/13/01/12/352130112.db2.gz IRYGZYVRAQOLRM-JOYOIKCWSA-N 0 3 243.351 0.391 20 0 BCADHN C[C@@H](CNC(=O)CCc1ccn(C)n1)N(C)C ZINC000429888113 191154833 /nfs/dbraw/zinc/15/48/33/191154833.db2.gz RORGYCRYLFDFAL-JTQLQIEISA-N 0 3 238.335 0.419 20 0 BCADHN C[C@H](CCC[NH3+])NC(=O)c1cc(F)c[n-]c1=O ZINC000638250958 352094623 /nfs/dbraw/zinc/09/46/23/352094623.db2.gz COICDJDVYBFSHG-SSDOTTSWSA-N 0 3 241.266 0.784 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000638248668 352094670 /nfs/dbraw/zinc/09/46/70/352094670.db2.gz RSSJRLNMUHBSLC-DTWKUNHWSA-N 0 3 248.286 0.006 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)[C@H](C)O1 ZINC000638249550 352095074 /nfs/dbraw/zinc/09/50/74/352095074.db2.gz ZVXMBLAIULYGCX-ORMBPQIASA-N 0 3 244.310 0.616 20 0 BCADHN CCN(C)C(=O)CNC(=O)[C@@H](N)CCC(C)C ZINC000638304928 352135461 /nfs/dbraw/zinc/13/54/61/352135461.db2.gz MYICROKHMXSVOA-JTQLQIEISA-N 0 3 243.351 0.344 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1cnc(N(C)C)nc1 ZINC000638305132 352135598 /nfs/dbraw/zinc/13/55/98/352135598.db2.gz ZXCOYWJWCQDSIU-QMMMGPOBSA-N 0 3 237.307 0.479 20 0 BCADHN CC(C)C(=O)N1CCCN(C(=O)[C@@H](C)N)CC1 ZINC000083960958 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CC(C)[C@@H](N)C(=O)NCC[C@H]1CCCOC1 ZINC000638456703 352270682 /nfs/dbraw/zinc/27/06/82/352270682.db2.gz LORSGRFXADWEDF-GHMZBOCLSA-N 0 3 228.336 0.903 20 0 BCADHN Cn1ncc(C(F)(F)F)c1CNC(=O)CN ZINC000638460297 352272035 /nfs/dbraw/zinc/27/20/35/352272035.db2.gz VKUUNUUYOJNPCF-UHFFFAOYSA-N 0 3 236.197 0.014 20 0 BCADHN Cc1cocc1C(=O)N1CCOC2(CNC2)C1 ZINC000638437177 352244259 /nfs/dbraw/zinc/24/42/59/352244259.db2.gz KNSLOTLFBLKCFY-UHFFFAOYSA-N 0 3 236.271 0.402 20 0 BCADHN Nc1ncc(CNCC2CCC2)c(N)n1 ZINC000638438491 352245949 /nfs/dbraw/zinc/24/59/49/352245949.db2.gz WZOJYSLCMFVGME-UHFFFAOYSA-N 0 3 207.281 0.191 20 0 BCADHN CCCNS(=O)(=O)N1CCNC[C@@H]1C(C)C ZINC000528049545 323752324 /nfs/dbraw/zinc/75/23/24/323752324.db2.gz QFPQFGAAYFJGHQ-SNVBAGLBSA-N 0 3 249.380 0.161 20 0 BCADHN CCN[C@H](C)C(=O)NCc1oc(C)nc1C ZINC000638443209 352253427 /nfs/dbraw/zinc/25/34/27/352253427.db2.gz JUCKETKIGNTZDU-MRVPVSSYSA-N 0 3 225.292 0.906 20 0 BCADHN CC[C@H](N)C(=O)N1CCC(CCOC)CC1 ZINC000638468602 352277558 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OUBZQHRLKYMKGA-SSDOTTSWSA-N 0 3 222.210 0.958 20 0 BCADHN C[C@H]1CSC[C@H]1NCC(=O)N(C)C1CC1 ZINC000309144275 187651473 /nfs/dbraw/zinc/65/14/73/187651473.db2.gz UQMKMTHJUKBQOT-WCBMZHEXSA-N 0 3 228.361 0.948 20 0 BCADHN CCN(Cc1cnn(C)c1C)[C@H](C)CO ZINC000292290776 352312444 /nfs/dbraw/zinc/31/24/44/352312444.db2.gz UEICEDXLAJAGTP-SECBINFHSA-N 0 3 211.309 0.931 20 0 BCADHN CC[C@H](N)C(=O)N[C@]12C[C@H]1COC2(C)C ZINC000638513122 352336948 /nfs/dbraw/zinc/33/69/48/352336948.db2.gz LOOQLZLWFAGECU-DKCNOQQISA-N 0 3 212.293 0.407 20 0 BCADHN CC1(C)OC[C@H]2C[C@]21NC(=O)CNC1CC1 ZINC000638512563 352338039 /nfs/dbraw/zinc/33/80/39/352338039.db2.gz IWAKLZBIDLGIDM-PELKAZGASA-N 0 3 224.304 0.422 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H](C)c1cnn(C)c1 ZINC000236785800 187675457 /nfs/dbraw/zinc/67/54/57/187675457.db2.gz VNTZMOOUAIFJBX-SCZZXKLOSA-N 0 3 224.308 0.581 20 0 BCADHN CNCC(=O)NC[C@H]1CCCN1CC(F)F ZINC000638517877 352348767 /nfs/dbraw/zinc/34/87/67/352348767.db2.gz WUIAEPWDNGLDGF-MRVPVSSYSA-N 0 3 235.278 0.052 20 0 BCADHN CCN(Cc1cnc2cnccn12)[C@@H](C)CO ZINC000293606225 352356514 /nfs/dbraw/zinc/35/65/14/352356514.db2.gz JPBDZAQEFQPSHS-JTQLQIEISA-N 0 3 234.303 0.932 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1cccc(C(N)=O)c1 ZINC000383082444 352363657 /nfs/dbraw/zinc/36/36/57/352363657.db2.gz TZZBGIUNZCHALH-MRVPVSSYSA-N 0 3 247.298 0.865 20 0 BCADHN C[C@H](NC1CC1)C(=O)Nc1cccc(C(N)=O)c1 ZINC000383082451 352363767 /nfs/dbraw/zinc/36/37/67/352363767.db2.gz TZZBGIUNZCHALH-QMMMGPOBSA-N 0 3 247.298 0.865 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cnn(CCF)c1 ZINC000638533508 352365013 /nfs/dbraw/zinc/36/50/13/352365013.db2.gz DJIUUWXQLWOOKZ-ZETCQYMHSA-N 0 3 214.244 0.399 20 0 BCADHN O=C(Nc1cnn(CCF)c1)[C@H]1CCCCN1 ZINC000638536018 352367062 /nfs/dbraw/zinc/36/70/62/352367062.db2.gz XBBITMMIIWQYKB-SNVBAGLBSA-N 0 3 240.282 0.933 20 0 BCADHN C[C@@H]1CN(CCNCc2ccns2)CCO1 ZINC000638567537 352395058 /nfs/dbraw/zinc/39/50/58/352395058.db2.gz OJFRYXJVYZVDSJ-SNVBAGLBSA-N 0 3 241.360 0.953 20 0 BCADHN 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244.335 0.152 20 0 BCADHN CCc1nn(C)cc1CNC[C@H](C)CO ZINC000092374320 538106717 /nfs/dbraw/zinc/10/67/17/538106717.db2.gz ZBURKAQGLNMPQY-VIFPVBQESA-N 0 3 211.309 0.701 20 0 BCADHN CC[C@@](C)(NC(=O)CNCCOC)C1CC1 ZINC000638857487 353033909 /nfs/dbraw/zinc/03/39/09/353033909.db2.gz GFNBLGAZMKDIGF-GFCCVEGCSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@@H]1C[C@@H](N[C@H](CO)c2cnn(C)c2)CS1 ZINC000638814386 352995657 /nfs/dbraw/zinc/99/56/57/352995657.db2.gz YXOZXVQWFVVIHW-FBIMIBRVSA-N 0 3 241.360 0.937 20 0 BCADHN CC1(C)OCC(NC2CSC2)CO1 ZINC000306321013 353004331 /nfs/dbraw/zinc/00/43/31/353004331.db2.gz JGCNMLKHRYIBSP-UHFFFAOYSA-N 0 3 203.307 0.843 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCN(CC)C1=O ZINC000638825176 353005795 /nfs/dbraw/zinc/00/57/95/353005795.db2.gz MVDOUNPPRPCXKB-AEJSXWLSSA-N 0 3 241.335 0.097 20 0 BCADHN O=C(C[C@H]1CNCCO1)N[C@@H]1CCCC12CC2 ZINC000638831185 353011335 /nfs/dbraw/zinc/01/13/35/353011335.db2.gz JKRZUXLTEAICAJ-WDEREUQCSA-N 0 3 238.331 0.814 20 0 BCADHN 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MACFOPWKUJAJCA-OKILXGFUSA-N 0 3 244.294 0.772 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCCO[C@H](C)C1 ZINC000061920224 188014146 /nfs/dbraw/zinc/01/41/46/188014146.db2.gz RKFZIJUSABXWGN-ZJUUUORDSA-N 0 3 214.309 0.607 20 0 BCADHN C[C@@H]1COCCN1CCN1CCN(C)C[C@@H]1C ZINC000337191383 188015016 /nfs/dbraw/zinc/01/50/16/188015016.db2.gz SKYGEPDUFOYWKQ-QWHCGFSZSA-N 0 3 241.379 0.343 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000341009951 188043665 /nfs/dbraw/zinc/04/36/65/188043665.db2.gz DOQBYQURCGOPEZ-LLVKDONJSA-N 0 3 239.363 0.680 20 0 BCADHN CC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000268617395 188023459 /nfs/dbraw/zinc/02/34/59/188023459.db2.gz JVIGMZPWFIQBSU-AWEZNQCLSA-N 0 3 248.326 0.542 20 0 BCADHN Cc1c(CN2CC[C@]3(CNC(=O)C3)C2)cnn1C ZINC000278858078 188030889 /nfs/dbraw/zinc/03/08/89/188030889.db2.gz KWZFZZRCRQUJNS-ZDUSSCGKSA-N 0 3 248.330 0.441 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H](O)c1ccccc1 ZINC000040920639 188043202 /nfs/dbraw/zinc/04/32/02/188043202.db2.gz JRKUTQBTDPXRTQ-SNVBAGLBSA-N 0 3 222.288 0.574 20 0 BCADHN CC[C@@H](C(=O)N1CCOC[C@H](C)C1)N(C)C ZINC000335927623 188004948 /nfs/dbraw/zinc/00/49/48/188004948.db2.gz NPARAJOMOWYFIH-MNOVXSKESA-N 0 3 228.336 0.822 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC([C@@H](C)O)CC1 ZINC000346272919 188051955 /nfs/dbraw/zinc/05/19/55/188051955.db2.gz FWNYILRRTUXBCC-LLVKDONJSA-N 0 3 242.363 0.946 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)NCC1(N(C)C)CCC1 ZINC000332026281 188052921 /nfs/dbraw/zinc/05/29/21/188052921.db2.gz IVJKCCZBTUPQEK-VIFPVBQESA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)O ZINC000332436904 188053269 /nfs/dbraw/zinc/05/32/69/188053269.db2.gz CPCYDZRPPKJBBR-ZJUUUORDSA-N 0 3 216.325 0.602 20 0 BCADHN CCC[C@](C)(N)C(=O)NCC(=O)NC(C)(C)C ZINC000037621492 358475058 /nfs/dbraw/zinc/47/50/58/358475058.db2.gz ZTCRFQYEKXFIIF-LBPRGKRZSA-N 0 3 243.351 0.535 20 0 BCADHN CC1(C)C[C@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000333650123 188054489 /nfs/dbraw/zinc/05/44/89/188054489.db2.gz VPYPEDJYMKVMOQ-UWVGGRQHSA-N 0 3 241.335 0.320 20 0 BCADHN CC(C)N(C)CC(=O)N(C)Cc1ccnn1C ZINC000352548386 188057251 /nfs/dbraw/zinc/05/72/51/188057251.db2.gz QKDVGFOVTFVMSR-UHFFFAOYSA-N 0 3 238.335 0.719 20 0 BCADHN CC(=O)C1(C(=O)N2C[C@H]3CN(C)C[C@H]3C2)CC1 ZINC000336518890 188057480 /nfs/dbraw/zinc/05/74/80/188057480.db2.gz ULGVBNJQTWOZFT-PHIMTYICSA-N 0 3 236.315 0.376 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CCC[C@@H]1CN(C)C ZINC000352644930 188058644 /nfs/dbraw/zinc/05/86/44/188058644.db2.gz QSWPIYDPCYVENL-MNOVXSKESA-N 0 3 228.336 0.556 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C(N)C(F)(F)F)[C@@H](C)O1 ZINC000638944872 353148349 /nfs/dbraw/zinc/14/83/49/353148349.db2.gz ZCSGFBAXWLGRPH-MVIOUDGNSA-N 0 3 240.225 0.558 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C(N)C(F)(F)F)[C@H](C)O1 ZINC000638944856 353148360 /nfs/dbraw/zinc/14/83/60/353148360.db2.gz ZCSGFBAXWLGRPH-BWBBJGPYSA-N 0 3 240.225 0.558 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@@H](C)Cn1cccn1 ZINC000037619563 358475235 /nfs/dbraw/zinc/47/52/35/358475235.db2.gz FJAPAHPUEYODSI-WDEREUQCSA-N 0 3 238.335 0.905 20 0 BCADHN CC(C)n1cc(C(=O)N(C)CCN(C)C)nn1 ZINC000341784393 188045275 /nfs/dbraw/zinc/04/52/75/188045275.db2.gz OZGIORKAIKJGBZ-UHFFFAOYSA-N 0 3 239.323 0.493 20 0 BCADHN Cn1nncc1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000371328169 180867714 /nfs/dbraw/zinc/86/77/14/180867714.db2.gz SMTUCXAQMLKBQF-WDEREUQCSA-N 0 3 236.319 0.674 20 0 BCADHN CC[C@@H](N[C@H]1CCc2nc(C)nn2C1)C(N)=O ZINC000330648496 353175752 /nfs/dbraw/zinc/17/57/52/353175752.db2.gz HWQPIAZLOPBGOC-DTWKUNHWSA-N 0 3 237.307 0.805 20 0 BCADHN Cn1nncc1CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000370272169 180870321 /nfs/dbraw/zinc/87/03/21/180870321.db2.gz CESUJHVSSNZTTI-MXWKQRLJSA-N 0 3 236.319 0.718 20 0 BCADHN COCCN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000613424885 363206313 /nfs/dbraw/zinc/20/63/13/363206313.db2.gz QXSXALQNBSIYGX-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN CC[C@@H](C)[C@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000049575437 353168296 /nfs/dbraw/zinc/16/82/96/353168296.db2.gz KEQYWOFZUKXFKT-NEPJUHHUSA-N 0 3 241.379 0.962 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCCN1CCCCC1 ZINC000049575437 353168300 /nfs/dbraw/zinc/16/83/00/353168300.db2.gz KEQYWOFZUKXFKT-NEPJUHHUSA-N 0 3 241.379 0.962 20 0 BCADHN Cn1cc(CNCCC[C@H]2CCO2)nn1 ZINC000638975807 353181349 /nfs/dbraw/zinc/18/13/49/353181349.db2.gz QKJBKYDECHSHFC-JTQLQIEISA-N 0 3 210.281 0.474 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H](CCO)C(C)C ZINC000225448155 535206303 /nfs/dbraw/zinc/20/63/03/535206303.db2.gz QJYKKRWTWHYQQE-VHSXEESVSA-N 0 3 216.325 0.493 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@@]12C[C@@H]1CCCC2 ZINC000638975424 353182495 /nfs/dbraw/zinc/18/24/95/353182495.db2.gz ZDYTUAYUNDINIK-LOWVWBTDSA-N 0 3 238.331 0.814 20 0 BCADHN O=C(CNC1CC1)Nc1cnn2c1CCCC2 ZINC000638978539 353184653 /nfs/dbraw/zinc/18/46/53/353184653.db2.gz HBJNFJFJSAQOII-UHFFFAOYSA-N 0 3 234.303 0.910 20 0 BCADHN CC[C@H](N)C(=O)Nc1cnn2c1CCCC2 ZINC000638978760 353186038 /nfs/dbraw/zinc/18/60/38/353186038.db2.gz NTVHRNAWZLIZPC-QMMMGPOBSA-N 0 3 222.292 0.895 20 0 BCADHN NC1(C(=O)Nc2cnn3c2CCCC3)CC1 ZINC000638978815 353186102 /nfs/dbraw/zinc/18/61/02/353186102.db2.gz PRNWHBXJNMGNIY-UHFFFAOYSA-N 0 3 220.276 0.649 20 0 BCADHN Cc1cc(N)cc(NC(=O)C[C@@H]2CNCCO2)c1 ZINC000638981155 353190529 /nfs/dbraw/zinc/19/05/29/353190529.db2.gz BYKPJFOTDILFTD-GFCCVEGCSA-N 0 3 249.314 0.894 20 0 BCADHN CCc1nc(C(=O)NC[C@@H]2CCN(C)C2)no1 ZINC000331086965 353217111 /nfs/dbraw/zinc/21/71/11/353217111.db2.gz PWFISHRSVPONDP-QMMMGPOBSA-N 0 3 238.291 0.314 20 0 BCADHN CC[C@@H](N[C@@H](C)COC)C(=O)N1CCOCC1 ZINC000165192109 353217569 /nfs/dbraw/zinc/21/75/69/353217569.db2.gz WRYDIKOOIXBJCK-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN CN(C)C1(CNCc2cnnn2C)CCC1 ZINC000165186055 353200301 /nfs/dbraw/zinc/20/03/01/353200301.db2.gz GPBQKZFCIWFVIR-UHFFFAOYSA-N 0 3 223.324 0.389 20 0 BCADHN O=C(Nc1cc(N2CCNCC2)ccn1)C1CC1 ZINC000638987282 353212850 /nfs/dbraw/zinc/21/28/50/353212850.db2.gz OGDRKQZOBGHTNC-UHFFFAOYSA-N 0 3 246.314 0.840 20 0 BCADHN CCN1CCN(C(=O)[C@H]2C[C@@H](C)CCN2)CC1 ZINC000126031548 353221014 /nfs/dbraw/zinc/22/10/14/353221014.db2.gz VPQTZPDFHFVTPX-NWDGAFQWSA-N 0 3 239.363 0.539 20 0 BCADHN CCc1nc(C(=O)NC[C@H]2CCCN2C)no1 ZINC000331090856 353221469 /nfs/dbraw/zinc/22/14/69/353221469.db2.gz VVWQELRQOJWEJE-MRVPVSSYSA-N 0 3 238.291 0.456 20 0 BCADHN CC[C@@H](O)CC(=O)NCCN1CC=C(C)CC1 ZINC000331348788 353245177 /nfs/dbraw/zinc/24/51/77/353245177.db2.gz XKHQDEBXLNZQKG-GFCCVEGCSA-N 0 3 240.347 0.916 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000639004477 353254324 /nfs/dbraw/zinc/25/43/24/353254324.db2.gz MMAQJKXJDYWQFZ-KVQBGUIXSA-N 0 3 210.199 0.661 20 0 BCADHN CNCC(=O)Nc1ccnn1CC1CCC1 ZINC000639005352 353256962 /nfs/dbraw/zinc/25/69/62/353256962.db2.gz MOKYYUVQDAMXLM-UHFFFAOYSA-N 0 3 222.292 0.841 20 0 BCADHN NC1(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000638997790 353240330 /nfs/dbraw/zinc/24/03/30/353240330.db2.gz DUSGBAOPDRZLHI-MNOVXSKESA-N 0 3 238.331 0.942 20 0 BCADHN CNCC(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000638998068 353240382 /nfs/dbraw/zinc/24/03/82/353240382.db2.gz DWLOQFSUINEXCJ-JQWIXIFHSA-N 0 3 226.320 0.670 20 0 BCADHN CCN1CCC[C@@H](NC(=O)NCC[C@@H](C)O)C1 ZINC000334036594 353258045 /nfs/dbraw/zinc/25/80/45/353258045.db2.gz CTYOWCONVGOMFZ-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H](N)C(=O)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000638998211 353241092 /nfs/dbraw/zinc/24/10/92/353241092.db2.gz FUXBNQXHTDFDSI-JMJZKYOTSA-N 0 3 226.320 0.798 20 0 BCADHN COCCCOCCN(C)C[C@H](C)O ZINC000188673132 353258109 /nfs/dbraw/zinc/25/81/09/353258109.db2.gz NZTWNSCJEFSGFT-JTQLQIEISA-N 0 3 205.298 0.352 20 0 BCADHN COCCCOCCN(C)C[C@@H](C)O ZINC000188673154 353258187 /nfs/dbraw/zinc/25/81/87/353258187.db2.gz NZTWNSCJEFSGFT-SNVBAGLBSA-N 0 3 205.298 0.352 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)Cc1ncc[nH]1 ZINC000639017413 353271601 /nfs/dbraw/zinc/27/16/01/353271601.db2.gz VEXQOFASTFDYTR-QMMMGPOBSA-N 0 3 210.281 0.366 20 0 BCADHN CC(C)[C@@H](O)CN1CCN(C)C[C@@H]1C ZINC000232727185 353272757 /nfs/dbraw/zinc/27/27/57/353272757.db2.gz JHHRYYGFKOONNB-QWRGUYRKSA-N 0 3 200.326 0.639 20 0 BCADHN CCC[C@]1(C)C(=O)NCCN1C(=O)[C@H](C)NC ZINC000639016671 353273854 /nfs/dbraw/zinc/27/38/54/353273854.db2.gz MTMQTUIXTHDBAU-JOYOIKCWSA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726755 188258377 /nfs/dbraw/zinc/25/83/77/188258377.db2.gz XIXZOYXWRJCXHL-JQWIXIFHSA-N 0 3 239.363 0.713 20 0 BCADHN CC(C)[C@@](C)(CO)NCc1cc(=O)c(O)co1 ZINC000352914545 188233884 /nfs/dbraw/zinc/23/38/84/188233884.db2.gz PEQFQNWPKAFWCF-GFCCVEGCSA-N 0 3 241.287 0.842 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C1CC(O)C1 ZINC000354303134 188235823 /nfs/dbraw/zinc/23/58/23/188235823.db2.gz NASQEDHHHGMUHD-UHFFFAOYSA-N 0 3 214.309 0.308 20 0 BCADHN C=Cn1cc(CN[C@H](C)C[S@](C)=O)cn1 ZINC000194355617 188258472 /nfs/dbraw/zinc/25/84/72/188258472.db2.gz CZWVDRURIJPHIH-PSLIRLAXSA-N 0 3 227.333 0.840 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@H]2COC[C@H]21 ZINC000367251370 188238855 /nfs/dbraw/zinc/23/88/55/188238855.db2.gz NDNNVASAKQMDBJ-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CO[C@@H](C)CN(C)CCN1CCCOCC1 ZINC000361395794 188243737 /nfs/dbraw/zinc/24/37/37/188243737.db2.gz QAWRSKBTVSVWAR-LBPRGKRZSA-N 0 3 230.352 0.675 20 0 BCADHN CN(C(=O)c1ccc(=O)[nH]c1)C1CCN(C)CC1 ZINC000020298934 353289418 /nfs/dbraw/zinc/28/94/18/353289418.db2.gz LHEFVVGSHJQDAO-UHFFFAOYSA-N 0 3 249.314 0.541 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N1C[C@H](C)[C@H](CO)C1 ZINC000362086445 188245172 /nfs/dbraw/zinc/24/51/72/188245172.db2.gz JMDKADDQVGAJFM-SRVKXCTJSA-N 0 3 242.363 0.707 20 0 BCADHN OC[C@@H]1CCN(C[C@H](O)CC(F)(F)F)C1 ZINC000189373900 353291081 /nfs/dbraw/zinc/29/10/81/353291081.db2.gz NKZZOFGOMAHOQL-HTQZYQBOSA-N 0 3 227.226 0.614 20 0 BCADHN CC(C)[C@H](O)CN(C)[C@@H]1CCCCNC1=O ZINC000373000643 188249554 /nfs/dbraw/zinc/24/95/54/188249554.db2.gz NOQBJDQDGJABFP-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](O)[C@@H]1CCCCN1CC(N)=O ZINC000304089014 188250635 /nfs/dbraw/zinc/25/06/35/188250635.db2.gz ANUFPNHKARSNGF-IUCAKERBSA-N 0 3 200.282 0.097 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1CCC[C@H](CO)C1 ZINC000304726320 188250695 /nfs/dbraw/zinc/25/06/95/188250695.db2.gz PTRGTKFCDWNOSN-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)[C@@](C)(O)CN1CCN2C(=O)OC[C@@H]2C1 ZINC000375390987 188250787 /nfs/dbraw/zinc/25/07/87/188250787.db2.gz MHAJYYFKKLPQEZ-JQWIXIFHSA-N 0 3 242.319 0.530 20 0 BCADHN CC(C)(N)C(=O)N1CCCN(C2CC2)CC1 ZINC000378204994 188251862 /nfs/dbraw/zinc/25/18/62/188251862.db2.gz XIMOXKDZJLRSKC-UHFFFAOYSA-N 0 3 225.336 0.420 20 0 BCADHN CC[C@@H](O)CNCc1ccc(C(=O)NC)cc1 ZINC000124364735 188256991 /nfs/dbraw/zinc/25/69/91/188256991.db2.gz GZRQCRHBGMNZTK-GFCCVEGCSA-N 0 3 236.315 0.907 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCSC[C@H]1CO ZINC000343709493 188257553 /nfs/dbraw/zinc/25/75/53/188257553.db2.gz KWSYJSFIALPYMX-ZJUUUORDSA-N 0 3 233.377 0.803 20 0 BCADHN CC(C)OCC(=O)NC[C@H]1CCCN(C)C1 ZINC000122300342 324040156 /nfs/dbraw/zinc/04/01/56/324040156.db2.gz YNANKZPERBQNCN-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@@H]1CN(Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC000270914478 188263518 /nfs/dbraw/zinc/26/35/18/188263518.db2.gz OKJSTWLTFFHICB-YPMHNXCESA-N 0 3 248.326 0.988 20 0 BCADHN O=C([C@H]1CCCCN1)N1CCn2nccc21 ZINC000639035163 353309167 /nfs/dbraw/zinc/30/91/67/353309167.db2.gz VILKJXSAVTVGAJ-SECBINFHSA-N 0 3 220.276 0.372 20 0 BCADHN CC(=O)NCCN[C@H](C)C(=O)NCCC(C)C ZINC000035206957 188284594 /nfs/dbraw/zinc/28/45/94/188284594.db2.gz YANZGNAJECKIII-SNVBAGLBSA-N 0 3 243.351 0.263 20 0 BCADHN Cc1ccc([O-])c(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000252416806 353299996 /nfs/dbraw/zinc/29/99/96/353299996.db2.gz SXKMHLGMPCOSFD-IAZYJMLFSA-N 0 3 232.283 0.648 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@@H]1CCCN(C)C1 ZINC000040673668 188292646 /nfs/dbraw/zinc/29/26/46/188292646.db2.gz ASYUBAGSSHUXMH-GHMZBOCLSA-N 0 3 227.352 0.570 20 0 BCADHN Cc1ccc(C)c(CNC[C@@H](O)CO)c1 ZINC000083345864 188295277 /nfs/dbraw/zinc/29/52/77/188295277.db2.gz LANHCGSMJWHXQU-GFCCVEGCSA-N 0 3 209.289 0.746 20 0 BCADHN CCN(C)CCNc1ccc(C(=O)OC)nn1 ZINC000054128040 188300912 /nfs/dbraw/zinc/30/09/12/188300912.db2.gz OLFZZGHUDIDYIA-UHFFFAOYSA-N 0 3 238.291 0.627 20 0 BCADHN CN[C@@H](C)C(=O)NCc1noc2c1CCCC2 ZINC000639032910 353304345 /nfs/dbraw/zinc/30/43/45/353304345.db2.gz BSTXPKCHHUKDGW-QMMMGPOBSA-N 0 3 237.303 0.778 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1COc2ccccc21 ZINC000070069097 188305241 /nfs/dbraw/zinc/30/52/41/188305241.db2.gz SCRRHNJYOYZOJB-SECBINFHSA-N 0 3 220.272 0.974 20 0 BCADHN CCN[C@@H](C)C(=O)NCCOC(F)(F)F ZINC000639034030 353305372 /nfs/dbraw/zinc/30/53/72/353305372.db2.gz XREMTNPBDCDCOJ-LURJTMIESA-N 0 3 228.214 0.637 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1cnccn1 ZINC000054460748 353336215 /nfs/dbraw/zinc/33/62/15/353336215.db2.gz FFKBVMHMSPUBQY-JTQLQIEISA-N 0 3 234.303 0.691 20 0 BCADHN C[C@@H]1C[C@H](NC2(C(N)=O)CC2)CS1 ZINC000639042303 353324161 /nfs/dbraw/zinc/32/41/61/353324161.db2.gz DVMZRBGTJBJINJ-RQJHMYQMSA-N 0 3 200.307 0.488 20 0 BCADHN CCN(CC)CC(=O)N(C)CCCOC ZINC000119709215 188324888 /nfs/dbraw/zinc/32/48/88/188324888.db2.gz RVGDWTMJINRZKO-UHFFFAOYSA-N 0 3 216.325 0.823 20 0 BCADHN CNC(=O)CCNCc1cnc(C)s1 ZINC000044987538 188325966 /nfs/dbraw/zinc/32/59/66/188325966.db2.gz XCJUBQPLQLRFDG-UHFFFAOYSA-N 0 3 213.306 0.677 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)N[C@@H](C)CN(C)C ZINC000358537337 188327137 /nfs/dbraw/zinc/32/71/37/188327137.db2.gz ZOSLBRNKFRPMRP-WDEREUQCSA-N 0 3 245.367 0.643 20 0 BCADHN O=C(CC1CCCC1)NC[C@H]1CNCCO1 ZINC000037865227 188327302 /nfs/dbraw/zinc/32/73/02/188327302.db2.gz TZVFDPLCZWILKV-LLVKDONJSA-N 0 3 226.320 0.671 20 0 BCADHN Cn1nncc1CNC[C@@H](O)CC(C)(C)C ZINC000165500532 353362050 /nfs/dbraw/zinc/36/20/50/353362050.db2.gz QBAYKNFAANNKJH-JTQLQIEISA-N 0 3 226.324 0.702 20 0 BCADHN CN(CC1CC1)S(=O)(=O)[C@@H]1CCCNC1 ZINC000049644252 188327402 /nfs/dbraw/zinc/32/74/02/188327402.db2.gz OGROBPUDKPRNLZ-SNVBAGLBSA-N 0 3 232.349 0.410 20 0 BCADHN Cn1ncnc1CNC[C@H]1CCSC1 ZINC000226383725 538115865 /nfs/dbraw/zinc/11/58/65/538115865.db2.gz OCTUDRXQENTGSV-MRVPVSSYSA-N 0 3 212.322 0.658 20 0 BCADHN CC(C)C1(CNC(=O)C[C@@H]2CNCCO2)CC1 ZINC000226371330 188331168 /nfs/dbraw/zinc/33/11/68/188331168.db2.gz DKSZNLIUYVIIIW-LLVKDONJSA-N 0 3 240.347 0.917 20 0 BCADHN OCCCN(CCO)C[C@H]1CCCCO1 ZINC000303990261 188337585 /nfs/dbraw/zinc/33/75/85/188337585.db2.gz LDXVAZBHJMCQQH-LLVKDONJSA-N 0 3 217.309 0.232 20 0 BCADHN C[C@H]1CN(Cc2ccc(=O)[nH]c2)CC[C@H]1O ZINC000639073651 353391522 /nfs/dbraw/zinc/39/15/22/353391522.db2.gz GYOURXRRJZPRFS-GXSJLCMTSA-N 0 3 222.288 0.990 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000336716033 188343898 /nfs/dbraw/zinc/34/38/98/188343898.db2.gz WXAKGYKLFLSPMP-CBAPKCEASA-N 0 3 216.281 0.038 20 0 BCADHN CN(CC1CC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000336676816 188358117 /nfs/dbraw/zinc/35/81/17/188358117.db2.gz ZVZKXXLDKCHPFI-JTQLQIEISA-N 0 3 217.334 0.763 20 0 BCADHN Cc1ccc(CNC[C@](C)(O)CO)cc1F ZINC000085251446 538116416 /nfs/dbraw/zinc/11/64/16/538116416.db2.gz YKGCVCHPLGEYGW-LBPRGKRZSA-N 0 3 227.279 0.967 20 0 BCADHN Cc1ncsc1CNC[C@](C)(O)CO ZINC000085250561 538116428 /nfs/dbraw/zinc/11/64/28/538116428.db2.gz VUOFEZYEDHIWLH-VIFPVBQESA-N 0 3 216.306 0.284 20 0 BCADHN CCOC(=O)[C@H](CC)C(=O)N[C@@H](C)CN(C)C ZINC000412343241 191277252 /nfs/dbraw/zinc/27/72/52/191277252.db2.gz HTAODRIWURSZNK-VHSXEESVSA-N 0 3 244.335 0.642 20 0 BCADHN CC(C)[C@H](O)CN1CCC[C@@](F)(CO)C1 ZINC000368639603 188349996 /nfs/dbraw/zinc/34/99/96/188349996.db2.gz WLQZBOIJCDXXMZ-MNOVXSKESA-N 0 3 219.300 0.800 20 0 BCADHN CCN1CCC[C@H](NC(=O)NC[C@@H](C)OC)C1 ZINC000190376606 353397485 /nfs/dbraw/zinc/39/74/85/353397485.db2.gz FUZUDCGTDQVFIF-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN Cn1cc(CNCCOCC(F)F)cn1 ZINC000190897750 353420084 /nfs/dbraw/zinc/42/00/84/353420084.db2.gz ILXOCFXRWVVCSS-UHFFFAOYSA-N 0 3 219.235 0.791 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@@H](N2CCCC2=O)C1 ZINC000336706961 188358894 /nfs/dbraw/zinc/35/88/94/188358894.db2.gz NCYGHKBWGFDMEO-NEPJUHHUSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1CCCOCC1 ZINC000061920547 188360308 /nfs/dbraw/zinc/36/03/08/188360308.db2.gz SCDNNWMUGVUAFG-SNVBAGLBSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@@H](O)CNCc1ccnc(N(C)C)n1 ZINC000336780866 188360697 /nfs/dbraw/zinc/36/06/97/188360697.db2.gz SIUIPMBFUKVLAJ-SNVBAGLBSA-N 0 3 224.308 0.403 20 0 BCADHN C=Cn1cc(CN2CC[C@H]3C(=O)NC[C@H]3C2)cn1 ZINC000365653989 188361036 /nfs/dbraw/zinc/36/10/36/188361036.db2.gz GSEQOGPCCQPWMB-NWDGAFQWSA-N 0 3 246.314 0.552 20 0 BCADHN Cc1nccnc1C(=O)NCC1=CCN(C)CC1 ZINC000613265758 353425581 /nfs/dbraw/zinc/42/55/81/353425581.db2.gz MLJTTZPAGKRULJ-UHFFFAOYSA-N 0 3 246.314 0.777 20 0 BCADHN C/C=C/C=C/C(=O)NC[C@](C)(O)CN(C)C ZINC000228751785 188362158 /nfs/dbraw/zinc/36/21/58/188362158.db2.gz FXBOHLZFRDKNNH-GZURTZSOSA-N 0 3 226.320 0.548 20 0 BCADHN CC(C)[C@@H]1C[C@H](N[C@H](C)C(N)=O)CS1 ZINC000308674285 538117050 /nfs/dbraw/zinc/11/70/50/538117050.db2.gz VSYXVIHIJKWGCQ-VGMNWLOBSA-N 0 3 216.350 0.980 20 0 BCADHN CCC[C@@H](OC)C(=O)NC[C@H](C)N(C)C ZINC000412393728 191278251 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/nfs/dbraw/zinc/49/52/21/353495221.db2.gz YUHBVQJPHWHLNB-PSASIEDQSA-N 0 3 233.319 0.676 20 0 BCADHN COCCNCCNC(=O)N(C1CC1)C1CC1 ZINC000627082280 363231335 /nfs/dbraw/zinc/23/13/35/363231335.db2.gz HHXLGUUQMFMTFG-UHFFFAOYSA-N 0 3 241.335 0.559 20 0 BCADHN CC1(C)CN(C(=O)c2cccc(=O)[nH]2)CCN1 ZINC000232807807 353523133 /nfs/dbraw/zinc/52/31/33/353523133.db2.gz DIRKXASMTCNMAC-UHFFFAOYSA-N 0 3 235.287 0.199 20 0 BCADHN C[C@@H](Cc1cnccn1)N[C@@H](C)C(=O)N(C)C ZINC000639101361 353535874 /nfs/dbraw/zinc/53/58/74/353535874.db2.gz ZDPDIOYFEIRINS-UWVGGRQHSA-N 0 3 236.319 0.474 20 0 BCADHN Nc1ncc(CN[C@H]2CC23CCCC3)c(N)n1 ZINC000639103320 353578866 /nfs/dbraw/zinc/57/88/66/353578866.db2.gz GOMGIVWGEFSKQE-VIFPVBQESA-N 0 3 233.319 0.724 20 0 BCADHN CO[C@@H](CNC(=O)/C=C/CN(C)C)C(C)C ZINC000074028723 353582513 /nfs/dbraw/zinc/58/25/13/353582513.db2.gz BEGVNHFMTPCXRX-MLRMMBSGSA-N 0 3 228.336 0.891 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CCN(C2CC2)CC1 ZINC000037827036 358479258 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XKLUGSOJHLZUBJ-GFCCVEGCSA-N 0 3 238.287 0.331 20 0 BCADHN O=C1NCC[C@H]1N1CC[C@@H](N2CCCC2)C1 ZINC000178196815 366104596 /nfs/dbraw/zinc/10/45/96/366104596.db2.gz DMVUFPSXTCKQJT-GHMZBOCLSA-N 0 3 223.320 0.045 20 0 BCADHN COC[C@@H](NC(=O)C1(N)CC1)C(C)C ZINC000083836529 353711314 /nfs/dbraw/zinc/71/13/14/353711314.db2.gz XTSSKZVVBAIHCW-MRVPVSSYSA-N 0 3 200.282 0.265 20 0 BCADHN NC1(C(=O)NCCCCn2ccnc2)CC1 ZINC000083835703 353711642 /nfs/dbraw/zinc/71/16/42/353711642.db2.gz RBVQMWZVQAWVRW-UHFFFAOYSA-N 0 3 222.292 0.271 20 0 BCADHN C[C@]1(O)CCN(CCOC[C@@H]2CCCO2)C1 ZINC000577920037 366101559 /nfs/dbraw/zinc/10/15/59/366101559.db2.gz JWAZVQBJXYNGCS-RYUDHWBXSA-N 0 3 229.320 0.639 20 0 BCADHN CC[C@@H](C(=O)NCC1=CCN(C)CC1)N(C)C ZINC000343331863 353744906 /nfs/dbraw/zinc/74/49/06/353744906.db2.gz FTLQRUWYIWZYAS-LBPRGKRZSA-N 0 3 239.363 0.705 20 0 BCADHN Cc1nc([C@@H](C)NC(=O)[C@@H]2CCCN2C)n[nH]1 ZINC000343339361 353796261 /nfs/dbraw/zinc/79/62/61/353796261.db2.gz CQCHKFPYZJDSEV-APPZFPTMSA-N 0 3 237.307 0.385 20 0 BCADHN CC[C@@H](O)CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189927022 353819832 /nfs/dbraw/zinc/81/98/32/353819832.db2.gz ROXZWXWQBGBWRI-VXGBXAGGSA-N 0 3 244.379 0.534 20 0 BCADHN C[C@@H](C[C@@H]1CCCC(=O)N1)NCCF ZINC000639132407 353842011 /nfs/dbraw/zinc/84/20/11/353842011.db2.gz AWYPGWQNPFNDPH-IUCAKERBSA-N 0 3 202.273 0.993 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2ccns2)C1 ZINC000639127729 353839637 /nfs/dbraw/zinc/83/96/37/353839637.db2.gz UFNNULWKYKTGSA-JTQLQIEISA-N 0 3 225.317 0.840 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000343411019 353879162 /nfs/dbraw/zinc/87/91/62/353879162.db2.gz CNZJIXCOWPDQCF-AEJSXWLSSA-N 0 3 242.319 0.381 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NC[C@H]1CC1(C)C ZINC000343424989 353882474 /nfs/dbraw/zinc/88/24/74/353882474.db2.gz YJVFKRUYARQDAG-RKDXNWHRSA-N 0 3 242.319 0.429 20 0 BCADHN COC1CC(N[C@H]2C[C@@H]3CCCCN3C2=O)C1 ZINC000334522905 353890931 /nfs/dbraw/zinc/89/09/31/353890931.db2.gz ZPBOAHNKPCLSMF-ADPBJBESSA-N 0 3 238.331 0.907 20 0 BCADHN CO[C@](C)(CN1C[C@@H]2COC[C@H](C1)O2)C1CC1 ZINC000639143796 353850309 /nfs/dbraw/zinc/85/03/09/353850309.db2.gz UTWOPWQUWPPAHM-FRRDWIJNSA-N 0 3 241.331 0.901 20 0 BCADHN OC[C@@]1(F)CCN(CCC[C@@H]2CCO2)C1 ZINC000639145670 353851658 /nfs/dbraw/zinc/85/16/58/353851658.db2.gz VLMQCJBJXJXLRI-GHMZBOCLSA-N 0 3 217.284 0.962 20 0 BCADHN CO[C@@H](CN[C@H](C)C(=O)NCCF)C1CC1 ZINC000639137602 353854660 /nfs/dbraw/zinc/85/46/60/353854660.db2.gz DSHSBTDQPSCTGZ-SCZZXKLOSA-N 0 3 232.299 0.475 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NCc1ccco1 ZINC000343486323 353906822 /nfs/dbraw/zinc/90/68/22/353906822.db2.gz XQPGKFVQWQKSNB-SECBINFHSA-N 0 3 240.259 0.176 20 0 BCADHN C[C@H](N[C@H]1CN(C)C[C@H]1C)C(=O)N1CCCC1 ZINC000343491770 353909485 /nfs/dbraw/zinc/90/94/85/353909485.db2.gz BYYOXJPZRZEBFC-WOPDTQHZSA-N 0 3 239.363 0.537 20 0 BCADHN COC(=O)CCCCNC(=O)CN(C)C(C)C ZINC000343508479 353922541 /nfs/dbraw/zinc/92/25/41/353922541.db2.gz PJZURLHFIPJPFK-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN CO[C@@H]1CCN([C@H]2CCN(C)C2=O)CC1(C)C ZINC000334536358 353922641 /nfs/dbraw/zinc/92/26/41/353922641.db2.gz SATJWZOFHZUIIJ-WDEREUQCSA-N 0 3 240.347 0.964 20 0 BCADHN CCNC(=O)NC(=O)CN1CC[C@H]2CCC[C@@H]21 ZINC000334536622 353923112 /nfs/dbraw/zinc/92/31/12/353923112.db2.gz PDBLPVLYDIHTFV-ZJUUUORDSA-N 0 3 239.319 0.707 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)NCC1=CCN(C)CC1 ZINC000334537597 353925139 /nfs/dbraw/zinc/92/51/39/353925139.db2.gz UCAISDKVLUTLNV-JQWIXIFHSA-N 0 3 238.331 0.790 20 0 BCADHN C[C@@H]1[C@H](Nc2cncc(C(N)=O)n2)CCCN1C ZINC000343602852 353931548 /nfs/dbraw/zinc/93/15/48/353931548.db2.gz MFJNNDIFUCJKSB-RKDXNWHRSA-N 0 3 249.318 0.470 20 0 BCADHN NC(=O)N[C@H]1CCN(CCCn2ccnc2)C1 ZINC000343565048 353936221 /nfs/dbraw/zinc/93/62/21/353936221.db2.gz QHTWZVYIEYNXRU-JTQLQIEISA-N 0 3 237.307 0.016 20 0 BCADHN NC(=O)N[C@@H]1CCN(CCCn2ccnc2)C1 ZINC000343565050 353936262 /nfs/dbraw/zinc/93/62/62/353936262.db2.gz QHTWZVYIEYNXRU-SNVBAGLBSA-N 0 3 237.307 0.016 20 0 BCADHN C[C@H]1COCC[C@H]1CNCc1ncnn1C ZINC000639162657 353945258 /nfs/dbraw/zinc/94/52/58/353945258.db2.gz AMRATMPBUSRABQ-UWVGGRQHSA-N 0 3 224.308 0.577 20 0 BCADHN C[C@H](O)CN1CCN(C[C@H](O)C(C)(C)C)CC1 ZINC000343695821 353965740 /nfs/dbraw/zinc/96/57/40/353965740.db2.gz QUFXZOKXHAFPAB-RYUDHWBXSA-N 0 3 244.379 0.392 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](O)C(F)(F)F ZINC000343736934 353969078 /nfs/dbraw/zinc/96/90/78/353969078.db2.gz WVIBXDIWTAXOIX-SSDOTTSWSA-N 0 3 242.241 0.368 20 0 BCADHN C[C@H](O)C[C@H]1COCCN1C[C@H](O)C(C)(C)C ZINC000343743049 353970067 /nfs/dbraw/zinc/97/00/67/353970067.db2.gz HBBSQORXCHRPIM-SRVKXCTJSA-N 0 3 245.363 0.865 20 0 BCADHN CN(CCOCC1CC1)CCN1CCNC1=O ZINC000343755160 353973320 /nfs/dbraw/zinc/97/33/20/353973320.db2.gz KILSLFQWJHAJKY-UHFFFAOYSA-N 0 3 241.335 0.370 20 0 BCADHN CNC(=O)NC(=O)CN1CC2(CCC2)C[C@H]1C ZINC000334551489 353991745 /nfs/dbraw/zinc/99/17/45/353991745.db2.gz GKFPDXUNWBIOOW-SECBINFHSA-N 0 3 239.319 0.707 20 0 BCADHN CC(=O)NCCCN1CCN(C)C[C@H]1C ZINC000343786994 353992147 /nfs/dbraw/zinc/99/21/47/353992147.db2.gz UODUKDLXVPZNJU-SNVBAGLBSA-N 0 3 213.325 0.149 20 0 BCADHN CC[C@@H](C)N(C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000343788340 353994106 /nfs/dbraw/zinc/99/41/06/353994106.db2.gz AHILBPGSKNFRBI-NEPJUHHUSA-N 0 3 239.363 0.633 20 0 BCADHN CCCN(CC)[C@@H](C)C(=O)NC(N)=O ZINC000343652041 353954322 /nfs/dbraw/zinc/95/43/22/353954322.db2.gz LDCFUZKSZLARIY-ZETCQYMHSA-N 0 3 201.270 0.302 20 0 BCADHN Cc1ncc([C@H](C)N(C)CCC(N)=O)c(C)n1 ZINC000639165773 353997903 /nfs/dbraw/zinc/99/79/03/353997903.db2.gz SDKLTHSWKVBSDM-VIFPVBQESA-N 0 3 236.319 0.962 20 0 BCADHN COC(=O)C[C@@H](C)C(=O)N(C)CCN(C)C ZINC000343684291 353962867 /nfs/dbraw/zinc/96/28/67/353962867.db2.gz RXCQVSKYKBZGSI-SECBINFHSA-N 0 3 230.308 0.206 20 0 BCADHN C[C@@H](CNC(=O)COC1CCOCC1)N(C)C ZINC000343681825 353963107 /nfs/dbraw/zinc/96/31/07/353963107.db2.gz CEYUHDTZMQKKAI-JTQLQIEISA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H]1[C@H](NC(=O)C2=CCOCC2)CCCN1C ZINC000343795090 353999609 /nfs/dbraw/zinc/99/96/09/353999609.db2.gz INRGZKQHTLHXJH-ZYHUDNBSSA-N 0 3 238.331 0.932 20 0 BCADHN CCC1(O)CCN(C[C@@](C)(O)C(=O)OC)CC1 ZINC000343800040 354003833 /nfs/dbraw/zinc/00/38/33/354003833.db2.gz RNBOJSFLRGLBHM-LLVKDONJSA-N 0 3 245.319 0.147 20 0 BCADHN CON(C)C(=O)CCN1CCCOCC1 ZINC000366845871 354011884 /nfs/dbraw/zinc/01/18/84/354011884.db2.gz OFVJMMAJWASQLP-UHFFFAOYSA-N 0 3 216.281 0.119 20 0 BCADHN CC[C@@H](C(=O)NCC(C)(C)CCO)N(C)C ZINC000178594525 366144011 /nfs/dbraw/zinc/14/40/11/366144011.db2.gz VNQHJORKVWIAFG-JTQLQIEISA-N 0 3 230.352 0.851 20 0 BCADHN CN(CCN1CCCC1)C(=O)[C@H]1CCCN1C ZINC000343844063 354019846 /nfs/dbraw/zinc/01/98/46/354019846.db2.gz DHPSJLFNNWMIQB-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN Cc1cncc([C@H](C)NC[C@@H](O)CN(C)C)c1 ZINC000343842808 354020368 /nfs/dbraw/zinc/02/03/68/354020368.db2.gz VLQROPQFQFKNOR-WCQYABFASA-N 0 3 237.347 0.963 20 0 BCADHN CNC(=O)N[C@H]1CCN(C[C@@H](O)C(C)(C)C)C1 ZINC000343864312 354025817 /nfs/dbraw/zinc/02/58/17/354025817.db2.gz WYNHLCDUPKJPOW-VHSXEESVSA-N 0 3 243.351 0.397 20 0 BCADHN CNC(=O)N[C@@H]1CCN(C[C@@H](O)C(C)(C)C)C1 ZINC000343864310 354025829 /nfs/dbraw/zinc/02/58/29/354025829.db2.gz WYNHLCDUPKJPOW-NXEZZACHSA-N 0 3 243.351 0.397 20 0 BCADHN CNC(=O)N[C@H]1CCN(C[C@H](O)C(C)(C)C)C1 ZINC000343864311 354026012 /nfs/dbraw/zinc/02/60/12/354026012.db2.gz WYNHLCDUPKJPOW-UWVGGRQHSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CN(C)C ZINC000343835184 354034789 /nfs/dbraw/zinc/03/47/89/354034789.db2.gz TYXBIPSNKYVBEH-KOLCDFICSA-N 0 3 225.336 0.147 20 0 BCADHN CO[C@]1(C)CCCN(CCOCCO)C1 ZINC000230280399 363302954 /nfs/dbraw/zinc/30/29/54/363302954.db2.gz DPVNLDXPBMBDCH-LLVKDONJSA-N 0 3 217.309 0.496 20 0 BCADHN CN(CCN1CCNC1=O)[C@@H]1CCCOC1 ZINC000343950703 354070361 /nfs/dbraw/zinc/07/03/61/354070361.db2.gz YCGZAFACMSETHX-SNVBAGLBSA-N 0 3 227.308 0.122 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CC(C)=C[C@@H](C)C1 ZINC000343937189 354047803 /nfs/dbraw/zinc/04/78/03/354047803.db2.gz JRDSTONTLRPMHH-SKDRFNHKSA-N 0 3 227.304 0.808 20 0 BCADHN CC(C)[C@@H](CCO)NCc1cncn1C ZINC000230690186 363319850 /nfs/dbraw/zinc/31/98/50/363319850.db2.gz SUCDZDVYASDTQS-LLVKDONJSA-N 0 3 211.309 0.917 20 0 BCADHN CC1CC(NC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000344030587 354093949 /nfs/dbraw/zinc/09/39/49/354093949.db2.gz MBRUELOPAURKCO-HTAVTVPLSA-N 0 3 237.347 0.291 20 0 BCADHN CCO[C@H]1C[C@H]1C(=O)NCCN(C)C ZINC000344035745 354100989 /nfs/dbraw/zinc/10/09/89/354100989.db2.gz OMFQNYMFVOINDR-BDAKNGLRSA-N 0 3 200.282 0.089 20 0 BCADHN C[C@H]1CN(CCC(=O)NC(N)=O)CCC1(F)F ZINC000334574986 354105632 /nfs/dbraw/zinc/10/56/32/354105632.db2.gz VMKJODHTGGKDAO-ZETCQYMHSA-N 0 3 249.261 0.549 20 0 BCADHN C[C@H]1NCCN(C(=O)NCc2ccccn2)[C@@H]1C ZINC000334575092 354105826 /nfs/dbraw/zinc/10/58/26/354105826.db2.gz CHRZQRQYKPITQU-GHMZBOCLSA-N 0 3 248.330 0.973 20 0 BCADHN CC1(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000334577106 354110434 /nfs/dbraw/zinc/11/04/34/354110434.db2.gz CYGUWMBTBFBDKU-ZETCQYMHSA-N 0 3 218.247 0.900 20 0 BCADHN CC(C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000334576914 354110638 /nfs/dbraw/zinc/11/06/38/354110638.db2.gz BLMSVWWDXWNJQK-SSDOTTSWSA-N 0 3 206.236 0.756 20 0 BCADHN O=C(C[C@@H]1CCCO1)N[C@H]1CNCCC1(F)F ZINC000334577077 354110701 /nfs/dbraw/zinc/11/07/01/354110701.db2.gz CUKCRUMDHYKLAE-IUCAKERBSA-N 0 3 248.273 0.669 20 0 BCADHN O=C(C[C@H]1CCCO1)N[C@@H]1CNCCC1(F)F ZINC000334577078 354110882 /nfs/dbraw/zinc/11/08/82/354110882.db2.gz CUKCRUMDHYKLAE-RKDXNWHRSA-N 0 3 248.273 0.669 20 0 BCADHN COCCNC(=O)N(C)CCN1CCCC1 ZINC000344011173 354116582 /nfs/dbraw/zinc/11/65/82/354116582.db2.gz SJGXVNRLBGOKHV-UHFFFAOYSA-N 0 3 229.324 0.370 20 0 BCADHN CC(C)(C)N1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000630084356 363317397 /nfs/dbraw/zinc/31/73/97/363317397.db2.gz SYRVWDUAHGTFAW-GARJFASQSA-N 0 3 240.347 0.746 20 0 BCADHN COC1CC(N[C@@H](C)CS(C)(=O)=O)C1 ZINC000230674927 363319591 /nfs/dbraw/zinc/31/95/91/363319591.db2.gz AFGUCWMYMVUHEG-UEJVZZJDSA-N 0 3 221.322 0.187 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@H](CO)C[C@@H]1C ZINC000344126593 354146509 /nfs/dbraw/zinc/14/65/09/354146509.db2.gz IZDWDZNGPANQNG-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H]1C[C@H](CO)CCN1CCN1CCCC1=O ZINC000344128696 354147421 /nfs/dbraw/zinc/14/74/21/354147421.db2.gz LDLGXFBUJSFBRL-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H]1C[C@H](CO)CCN1CCn1cncn1 ZINC000344132057 354148338 /nfs/dbraw/zinc/14/83/38/354148338.db2.gz OIJRHKJAYOUHEU-WDEREUQCSA-N 0 3 224.308 0.371 20 0 BCADHN C[C@@H]1C[C@@H](CO)CCN1CCN1CCNC1=O ZINC000344155109 354156928 /nfs/dbraw/zinc/15/69/28/354156928.db2.gz JSIYELWHQZOHQX-MNOVXSKESA-N 0 3 241.335 0.104 20 0 BCADHN CCC(C)(CC)NC(=O)[C@H](CN)OC ZINC000230957408 363331943 /nfs/dbraw/zinc/33/19/43/363331943.db2.gz NOWHEIVICNUFTL-QMMMGPOBSA-N 0 3 202.298 0.655 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCn1cccc1 ZINC000231765800 363352740 /nfs/dbraw/zinc/35/27/40/363352740.db2.gz SPKJABWPNACCAE-SNVBAGLBSA-N 0 3 209.293 0.588 20 0 BCADHN COCCN(C)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000344228151 354184906 /nfs/dbraw/zinc/18/49/06/354184906.db2.gz BSCMTEZKWBUSJX-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN COCCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000334581568 354199954 /nfs/dbraw/zinc/19/99/54/354199954.db2.gz VOJNBVAPDUVFFP-BDAKNGLRSA-N 0 3 215.297 0.025 20 0 BCADHN C[C@H](CNC(=O)COC[C@H]1CCOC1)N(C)C ZINC000344295756 354209912 /nfs/dbraw/zinc/20/99/12/354209912.db2.gz MSZYVYWGFYCDLU-MNOVXSKESA-N 0 3 244.335 0.106 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CCC(O)CC1 ZINC000344304267 354214628 /nfs/dbraw/zinc/21/46/28/354214628.db2.gz XCUWFGDGMATJHI-SNVBAGLBSA-N 0 3 212.293 0.064 20 0 BCADHN CCc1ccc(CN2C[C@@H](O)[C@@H](O)C2)s1 ZINC000086331526 491060492 /nfs/dbraw/zinc/06/04/92/491060492.db2.gz CCRVKKAYFKSAJJ-PHIMTYICSA-N 0 3 227.329 0.848 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@H](OC)C1 ZINC000232018199 363360923 /nfs/dbraw/zinc/36/09/23/363360923.db2.gz VXFBVQHTKWMIDC-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN CN(C)CCNC(=O)C(C)(C)c1cnn(C)c1 ZINC000344465663 354266204 /nfs/dbraw/zinc/26/62/04/354266204.db2.gz ZERYVNLZBNJSMF-UHFFFAOYSA-N 0 3 238.335 0.376 20 0 BCADHN Cn1nccc1[C@H](CO)N[C@@H]1CCOC1(C)C ZINC000624022632 491060737 /nfs/dbraw/zinc/06/07/37/491060737.db2.gz XINYHHVYWAFMDA-GXSJLCMTSA-N 0 3 239.319 0.611 20 0 BCADHN CN(Cc1ccc(=O)[nH]c1)C[C@@H](O)C1CC1 ZINC000639176323 354220964 /nfs/dbraw/zinc/22/09/64/354220964.db2.gz UUVPYRPSVAMTHA-LLVKDONJSA-N 0 3 222.288 0.990 20 0 BCADHN Cc1cccc(C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000334591168 354222001 /nfs/dbraw/zinc/22/20/01/354222001.db2.gz YGJQVMOYGAMIDZ-CQSZACIVSA-N 0 3 248.326 0.791 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@@H](C(C)C)N(C)C ZINC000344503969 354290085 /nfs/dbraw/zinc/29/00/85/354290085.db2.gz FXNIJKHTIOACOG-LLVKDONJSA-N 0 3 244.335 0.594 20 0 BCADHN C[C@@H](NCC(=O)NC1CC1)[C@@H]1CC1(F)F ZINC000639181269 354294175 /nfs/dbraw/zinc/29/41/75/354294175.db2.gz UJMBGSATESEQCM-SVRRBLITSA-N 0 3 218.247 0.898 20 0 BCADHN CCN1CCC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000334614809 354300322 /nfs/dbraw/zinc/30/03/22/354300322.db2.gz RKRIXCQTPDHKSC-GFCCVEGCSA-N 0 3 238.331 0.934 20 0 BCADHN C[C@H](Cc1cnccn1)NCC(=O)NC1CC1 ZINC000639181680 354325957 /nfs/dbraw/zinc/32/59/57/354325957.db2.gz ZSNLPCZGCDMCLL-SECBINFHSA-N 0 3 234.303 0.276 20 0 BCADHN CC[C@H](OC)C(=O)NCCNc1ccncc1 ZINC000344684032 354333037 /nfs/dbraw/zinc/33/30/37/354333037.db2.gz HZGUWPHTWVAJRQ-NSHDSACASA-N 0 3 237.303 0.457 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@@H](O)C1 ZINC000344681694 354333533 /nfs/dbraw/zinc/33/35/33/354333533.db2.gz CKITXPJTWYMZBR-IJLUTSLNSA-N 0 3 240.347 0.843 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000344754976 354350646 /nfs/dbraw/zinc/35/06/46/354350646.db2.gz SZEREPVKXYLOSU-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN CN(C)c1nccc(N2CCN3CCC2CC3)n1 ZINC000344755078 354351009 /nfs/dbraw/zinc/35/10/09/354351009.db2.gz BLWKCEBCYRYORI-UHFFFAOYSA-N 0 3 247.346 0.827 20 0 BCADHN COC[C@H](C)N(C)C(=O)C1CCN(C)CC1 ZINC000344797766 354375257 /nfs/dbraw/zinc/37/52/57/354375257.db2.gz RBLVMKVAVPYIDC-JTQLQIEISA-N 0 3 228.336 0.822 20 0 BCADHN Nc1ncc(CN2CCC[C@@H](C3CC3)C2)c(N)n1 ZINC000639185040 354379213 /nfs/dbraw/zinc/37/92/13/354379213.db2.gz DRERBHBIZLPCEX-SNVBAGLBSA-N 0 3 247.346 0.924 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1C ZINC000345000263 354391340 /nfs/dbraw/zinc/39/13/40/354391340.db2.gz FPIMRLBGZPOGCJ-KOLCDFICSA-N 0 3 249.314 1.000 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345015710 354394486 /nfs/dbraw/zinc/39/44/86/354394486.db2.gz SNPADOFBVVLWDH-KOLCDFICSA-N 0 3 236.319 0.931 20 0 BCADHN CCC(=O)N1CC[C@@H](NCc2cnc(C)nc2)C1 ZINC000344787802 354369777 /nfs/dbraw/zinc/36/97/77/354369777.db2.gz FPVPBNIDXQDDJR-GFCCVEGCSA-N 0 3 248.330 0.886 20 0 BCADHN CN1CCN(CCCNC(=O)CC2CC2)CC1 ZINC000344788968 354370534 /nfs/dbraw/zinc/37/05/34/354370534.db2.gz KSEIJBGSYWMVJP-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN CN(CC(=O)NC(N)=O)C1CC(C)(C)C1 ZINC000334644649 354402902 /nfs/dbraw/zinc/40/29/02/354402902.db2.gz MTTJHVXVSQSJJI-UHFFFAOYSA-N 0 3 213.281 0.302 20 0 BCADHN CN1CC[C@@H](N2CCC[C@@H](CCO)CC2)C1=O ZINC000334669277 354409338 /nfs/dbraw/zinc/40/93/38/354409338.db2.gz WFIRYQYRJXWPAW-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN CNC(=O)CN1CCC[C@H]2COCC[C@@H]21 ZINC000334673106 354415472 /nfs/dbraw/zinc/41/54/72/354415472.db2.gz UGAYADWNQXLMTF-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)NCCF)CCN1C ZINC000334673027 354415755 /nfs/dbraw/zinc/41/57/55/354415755.db2.gz KRKWEPTVYJJXLI-RKDXNWHRSA-N 0 3 217.288 0.738 20 0 BCADHN CCn1ncnc1CN[C@H]1CCc2nc[nH]c2C1 ZINC000639190769 354426038 /nfs/dbraw/zinc/42/60/38/354426038.db2.gz CHSHAQWYWMGTDL-VIFPVBQESA-N 0 3 246.318 0.668 20 0 BCADHN CCn1ncnc1CN[C@H]1CCc2[nH]cnc2C1 ZINC000639190769 354426042 /nfs/dbraw/zinc/42/60/42/354426042.db2.gz CHSHAQWYWMGTDL-VIFPVBQESA-N 0 3 246.318 0.668 20 0 BCADHN COC[C@@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC000334683538 354429061 /nfs/dbraw/zinc/42/90/61/354429061.db2.gz FEKCLOZKXITCBD-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN Cc1cc(NC(=O)[C@@H](N)C(C)C)cn(C)c1=O ZINC000334684478 354430125 /nfs/dbraw/zinc/43/01/25/354430125.db2.gz YYWOZKNDASHVAF-JTQLQIEISA-N 0 3 237.303 0.616 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)[C@@H]1CCCCO1 ZINC000334654797 354448831 /nfs/dbraw/zinc/44/88/31/354448831.db2.gz QMNIJFCMSMRAEC-DTWKUNHWSA-N 0 3 248.273 0.669 20 0 BCADHN C[C@@H]1CN(C(=O)CO)CCN(C2CCC2)C1 ZINC000334663084 354463181 /nfs/dbraw/zinc/46/31/81/354463181.db2.gz MOZKJFSLZXXSMG-JTQLQIEISA-N 0 3 226.320 0.312 20 0 BCADHN CNC(=O)CCCC(=O)N1C[C@H](C)NC[C@H]1C ZINC000578071165 366219631 /nfs/dbraw/zinc/21/96/31/366219631.db2.gz BCIFFXZHHXLQRR-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CCS(=O)(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000334692769 354483471 /nfs/dbraw/zinc/48/34/71/354483471.db2.gz CLCILNMNBUSQBX-JTQLQIEISA-N 0 3 234.365 0.751 20 0 BCADHN O=C1CCCN1CCN1C[C@@H](O)C2(CC2)C1 ZINC000334693762 354483836 /nfs/dbraw/zinc/48/38/36/354483836.db2.gz VLJISDGFCFVOHU-SNVBAGLBSA-N 0 3 224.304 0.066 20 0 BCADHN CC[C@@H](C(=O)N1CCOCC12CC2)N(C)C ZINC000334729108 354529520 /nfs/dbraw/zinc/52/95/20/354529520.db2.gz OEXVOGOQDCKCFT-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN Cc1cnn(C)c1CN1C[C@H](C)C[C@H](O)C1 ZINC000334733641 354533424 /nfs/dbraw/zinc/53/34/24/354533424.db2.gz SCIWLTLBVNMOAP-KOLCDFICSA-N 0 3 223.320 0.931 20 0 BCADHN CC[C@@H](C(=O)N1CCOC[C@@H]1C)N(C)C ZINC000334743511 354546687 /nfs/dbraw/zinc/54/66/87/354546687.db2.gz XUZKYYBKYYYWEE-UWVGGRQHSA-N 0 3 214.309 0.574 20 0 BCADHN C[C@@H](CNC(=O)N1CC[C@H](C)C1)N(C)C ZINC000334697200 354489216 /nfs/dbraw/zinc/48/92/16/354489216.db2.gz QPPYDJPWYNSMMC-UWVGGRQHSA-N 0 3 213.325 0.988 20 0 BCADHN CC[C@]1(O)CCN([C@@H]2CCN(C)C2=O)C1 ZINC000334702517 354495898 /nfs/dbraw/zinc/49/58/98/354495898.db2.gz RIWATZVDUYQAOL-KOLCDFICSA-N 0 3 212.293 0.064 20 0 BCADHN CC[C@]1(O)CCN(CC(=O)N2CCCC2)C1 ZINC000334709016 354504481 /nfs/dbraw/zinc/50/44/81/354504481.db2.gz WEHKLDSZBDRJOA-LBPRGKRZSA-N 0 3 226.320 0.456 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC000334805694 354562479 /nfs/dbraw/zinc/56/24/79/354562479.db2.gz HYFMXIYAHQLBQT-CMPLNLGQSA-N 0 3 226.320 0.623 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC000334808684 354565917 /nfs/dbraw/zinc/56/59/17/354565917.db2.gz SNZAACOAJXPIOP-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN Nc1ncc(CNCC2CC(F)(F)C2)c(N)n1 ZINC000639199957 354604543 /nfs/dbraw/zinc/60/45/43/354604543.db2.gz RYFGNLOQPMGXJQ-UHFFFAOYSA-N 0 3 243.261 0.437 20 0 BCADHN CC[C@H](C(=O)N1C[C@H](O)C[C@H](C)C1)N(C)C ZINC000412772477 191309694 /nfs/dbraw/zinc/30/96/94/191309694.db2.gz OYAZYOKEUMKTRR-HBNTYKKESA-N 0 3 228.336 0.556 20 0 BCADHN C[C@H](O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000345326145 354611246 /nfs/dbraw/zinc/61/12/46/354611246.db2.gz IBKDRTUAKCKLLV-GUBZILKMSA-N 0 3 214.309 0.166 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H]2OCC[C@H]2C1 ZINC000366910516 354731584 /nfs/dbraw/zinc/73/15/84/354731584.db2.gz SYFCEPLLHUUWQD-IVZWLZJFSA-N 0 3 212.293 0.361 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@H](C)O ZINC000345562190 354693271 /nfs/dbraw/zinc/69/32/71/354693271.db2.gz GZRKZGUOMYRPKZ-VIFPVBQESA-N 0 3 202.298 0.167 20 0 BCADHN C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)N(C)C ZINC000335111753 354697833 /nfs/dbraw/zinc/69/78/33/354697833.db2.gz UYGYZUQSZZFWDD-NEPJUHHUSA-N 0 3 239.363 0.633 20 0 BCADHN Cc1ccc(CN(CCO)C[C@H](C)O)c(C)n1 ZINC000351948408 134015649 /nfs/dbraw/zinc/01/56/49/134015649.db2.gz FDLYSZHJKXMFHI-NSHDSACASA-N 0 3 238.331 0.874 20 0 BCADHN CCN(CCO)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345736883 354748162 /nfs/dbraw/zinc/74/81/62/354748162.db2.gz FHSRXNBWMLVLSO-QWRGUYRKSA-N 0 3 243.351 0.493 20 0 BCADHN CCN(CCO)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345736881 354748301 /nfs/dbraw/zinc/74/83/01/354748301.db2.gz FHSRXNBWMLVLSO-GHMZBOCLSA-N 0 3 243.351 0.493 20 0 BCADHN C[C@H]1[C@H](NC(=O)NCCCO)CCCN1C ZINC000345756368 354752964 /nfs/dbraw/zinc/75/29/64/354752964.db2.gz SGCPCTLQHTYPDM-VHSXEESVSA-N 0 3 229.324 0.151 20 0 BCADHN CN(C)C(=O)CC(=O)N(C)CCN1CCCC1 ZINC000345774532 354758956 /nfs/dbraw/zinc/75/89/56/354758956.db2.gz AGSXBIBTRLYDQA-UHFFFAOYSA-N 0 3 241.335 0.019 20 0 BCADHN Cc1ncc(C(=O)N2CCN(C)[C@H](C)[C@H]2C)[nH]1 ZINC000335122475 354761720 /nfs/dbraw/zinc/76/17/20/354761720.db2.gz FMDSOAKMLSYELW-RKDXNWHRSA-N 0 3 236.319 0.883 20 0 BCADHN C[C@H](O)C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000345791482 354769497 /nfs/dbraw/zinc/76/94/97/354769497.db2.gz QWHHRQFLFFSJPV-WCFLWFBJSA-N 0 3 248.326 0.581 20 0 BCADHN CC(C)N(C)C(=O)CN(C)CCN1CCCC1 ZINC000345797522 354772810 /nfs/dbraw/zinc/77/28/10/354772810.db2.gz KBOWUFPFFQZJIS-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)O ZINC000345761945 354778116 /nfs/dbraw/zinc/77/81/16/354778116.db2.gz UJYFUVRADWKDMZ-AXFHLTTASA-N 0 3 226.320 0.452 20 0 BCADHN C[C@@H]1CN(Cc2ncnn2C)CCN(C2CC2)C1 ZINC000639212906 354792403 /nfs/dbraw/zinc/79/24/03/354792403.db2.gz KECPDMGOHNCZNK-LLVKDONJSA-N 0 3 249.362 0.731 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cnn(C)c1 ZINC000345820373 354788347 /nfs/dbraw/zinc/78/83/47/354788347.db2.gz CNFNYNXTALITCG-GHMZBOCLSA-N 0 3 236.319 0.424 20 0 BCADHN C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN)[C@@H]1C ZINC000335138605 354790036 /nfs/dbraw/zinc/79/00/36/354790036.db2.gz RKDLRMGSTAAWBD-NXEZZACHSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@H]1CCCN(C(=O)C(=O)N(C)CCN)[C@H]1C ZINC000335138606 354790144 /nfs/dbraw/zinc/79/01/44/354790144.db2.gz RKDLRMGSTAAWBD-UWVGGRQHSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1CCn1cncn1 ZINC000351958921 134017607 /nfs/dbraw/zinc/01/76/07/134017607.db2.gz MJOTYNFLBFZDBT-WDEREUQCSA-N 0 3 223.324 0.303 20 0 BCADHN CN(C)CCOCCNC(=O)[C@H]1CC1(C)C ZINC000345927105 354809803 /nfs/dbraw/zinc/80/98/03/354809803.db2.gz HXZAMYZEXITQSH-SNVBAGLBSA-N 0 3 228.336 0.727 20 0 BCADHN CN(C)CCOCCNC(=O)c1cc[nH]c1 ZINC000345945474 354816752 /nfs/dbraw/zinc/81/67/52/354816752.db2.gz BQKGSJYUVDELDE-UHFFFAOYSA-N 0 3 225.292 0.323 20 0 BCADHN CC[C@H](O)CN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000366920224 354818057 /nfs/dbraw/zinc/81/80/57/354818057.db2.gz BGPYPWUJCGENSF-GXSJLCMTSA-N 0 3 228.292 0.332 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)C(C)(C)O ZINC000233470667 363403525 /nfs/dbraw/zinc/40/35/25/363403525.db2.gz XZBXOWFNUFTWNG-SECBINFHSA-N 0 3 214.309 0.358 20 0 BCADHN CN(C)CCOCCNC(=O)[C@@H]1CCCS1 ZINC000345956536 354819952 /nfs/dbraw/zinc/81/99/52/354819952.db2.gz KKOKIDGWMZMEBY-JTQLQIEISA-N 0 3 246.376 0.576 20 0 BCADHN CN(C)CCOCCNC(=O)[C@H]1CCCS1 ZINC000345956537 354820012 /nfs/dbraw/zinc/82/00/12/354820012.db2.gz KKOKIDGWMZMEBY-SNVBAGLBSA-N 0 3 246.376 0.576 20 0 BCADHN CN(C)CCOCCNC(=O)C[C@H]1CCOC1 ZINC000345956602 354820014 /nfs/dbraw/zinc/82/00/14/354820014.db2.gz KZJZBMDERLQNPF-LLVKDONJSA-N 0 3 244.335 0.107 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000335943024 134018165 /nfs/dbraw/zinc/01/81/65/134018165.db2.gz FNESFZVJZGESBM-GHMZBOCLSA-N 0 3 228.336 0.556 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@](F)(CO)C1 ZINC000345917468 354825336 /nfs/dbraw/zinc/82/53/36/354825336.db2.gz XYCVCQXZQVRXMP-LBPRGKRZSA-N 0 3 246.326 0.651 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)C(N)=O)N(CC)CC ZINC000345975908 354831259 /nfs/dbraw/zinc/83/12/59/354831259.db2.gz HRJBHBZYBMYGMF-IUCAKERBSA-N 0 3 229.324 0.097 20 0 BCADHN CCC[C@@H](O)CN1CCN(C)C[C@@H]1C ZINC000233299195 363398451 /nfs/dbraw/zinc/39/84/51/363398451.db2.gz LBQHTHSNRLDODW-WDEREUQCSA-N 0 3 200.326 0.783 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000040457707 358491211 /nfs/dbraw/zinc/49/12/11/358491211.db2.gz BLCHJKAYTWOMPF-RKDXNWHRSA-N 0 3 241.335 0.084 20 0 BCADHN CC[C@H](N[C@]1(C)CCO[C@@H]1C)C(N)=O ZINC000234050258 363414630 /nfs/dbraw/zinc/41/46/30/363414630.db2.gz PDJJDPASXRNZFR-KHQFGBGNSA-N 0 3 200.282 0.407 20 0 BCADHN CN(C)C(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000234210014 363416960 /nfs/dbraw/zinc/41/69/60/363416960.db2.gz RNSRMZHPGGMJAV-KOLCDFICSA-N 0 3 212.293 0.232 20 0 BCADHN CC[C@@H](C(=O)NCCCC(N)=O)N(CC)CC ZINC000345994443 354835442 /nfs/dbraw/zinc/83/54/42/354835442.db2.gz QIVSEKGOVGZPIX-JTQLQIEISA-N 0 3 243.351 0.489 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)[C@@H](N)C(C)(C)C ZINC000040468612 358490840 /nfs/dbraw/zinc/49/08/40/358490840.db2.gz FGBIFMYLWBRNHU-RKDXNWHRSA-N 0 3 244.335 0.627 20 0 BCADHN CCOC(=O)COCCN1CC[C@@](C)(O)C1 ZINC000233668140 363404602 /nfs/dbraw/zinc/40/46/02/363404602.db2.gz ZVMVADMLSCQKFP-LLVKDONJSA-N 0 3 231.292 0.023 20 0 BCADHN C[C@@H](CNC(=O)N1CCCN(C)CC1)N(C)C ZINC000335145868 354855451 /nfs/dbraw/zinc/85/54/51/354855451.db2.gz HCKDUQQERJJDMU-NSHDSACASA-N 0 3 242.367 0.284 20 0 BCADHN CCOC[C@@H](NC(=O)[C@H](N)CC)C(C)C ZINC000233802636 363408665 /nfs/dbraw/zinc/40/86/65/363408665.db2.gz KECPFINJKWTJNM-NXEZZACHSA-N 0 3 216.325 0.901 20 0 BCADHN Nc1ncc(CNCC2=CCCCC2)c(N)n1 ZINC000639216835 354860712 /nfs/dbraw/zinc/86/07/12/354860712.db2.gz NLLULBRNGGIETK-UHFFFAOYSA-N 0 3 233.319 0.892 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CCO[C@H]1C ZINC000346267826 354885929 /nfs/dbraw/zinc/88/59/29/354885929.db2.gz POQLEVZSXRNALB-KXUCPTDWSA-N 0 3 214.309 0.478 20 0 BCADHN CC[S@@](=O)CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000346354095 354889147 /nfs/dbraw/zinc/88/91/47/354889147.db2.gz ILRNHQHQEFRBRO-MGPLVRAMSA-N 0 3 246.376 0.308 20 0 BCADHN CC[C@](C)(CN1CCOC[C@@H](O)C1)OC ZINC000639221575 354893747 /nfs/dbraw/zinc/89/37/47/354893747.db2.gz FQSLHSSQKCFMCB-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN CCN(CCN1CCCCCC1)C(=O)CO ZINC000346319380 354895227 /nfs/dbraw/zinc/89/52/27/354895227.db2.gz RLEDDBLOUCGOEX-UHFFFAOYSA-N 0 3 228.336 0.703 20 0 BCADHN COCCN(CCO)CCOCC(C)C ZINC000234640682 363426079 /nfs/dbraw/zinc/42/60/79/363426079.db2.gz SKGOUXOWIXNHDO-UHFFFAOYSA-N 0 3 219.325 0.600 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C(C)(C)O)CCN1C ZINC000235584752 363448274 /nfs/dbraw/zinc/44/82/74/363448274.db2.gz INECZNDLBQDELT-IUCAKERBSA-N 0 3 214.309 0.356 20 0 BCADHN Cc1[nH]cnc1CC(=O)NCC(C)(C)O ZINC000346392839 354908529 /nfs/dbraw/zinc/90/85/29/354908529.db2.gz UWNLTVXSWAEMAA-UHFFFAOYSA-N 0 3 211.265 0.148 20 0 BCADHN COCCN1CCCN(CCC2CC2)CC1=O ZINC000346399613 354910522 /nfs/dbraw/zinc/91/05/22/354910522.db2.gz GJBSPWXUOXSIQG-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN COC(=O)CCCN1CC[C@H](OC)C1 ZINC000234796767 363431821 /nfs/dbraw/zinc/43/18/21/363431821.db2.gz NICBLBNAUUUKHW-VIFPVBQESA-N 0 3 201.266 0.660 20 0 BCADHN CO[C@@H]1CN(CCC[C@@H](C)O)C[C@@H]1OC ZINC000234794445 363432022 /nfs/dbraw/zinc/43/20/22/363432022.db2.gz WOMQECMKMRENHE-MXWKQRLJSA-N 0 3 217.309 0.493 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@H](N)CCSC)C1 ZINC000234821049 363432943 /nfs/dbraw/zinc/43/29/43/363432943.db2.gz AHZWZFHJGAEHEF-RKDXNWHRSA-N 0 3 232.349 0.314 20 0 BCADHN CO[C@@H]1CCN(C[C@@H](O)COC(C)C)C1 ZINC000234834331 363433591 /nfs/dbraw/zinc/43/35/91/363433591.db2.gz PMRMFSOKVZIIBL-GHMZBOCLSA-N 0 3 217.309 0.493 20 0 BCADHN O[C@@H]1COCCN(CCC[C@H]2CCO2)C1 ZINC000639221976 354916079 /nfs/dbraw/zinc/91/60/79/354916079.db2.gz HGHNTJQTVRWULQ-QWRGUYRKSA-N 0 3 215.293 0.249 20 0 BCADHN CO[C@H]1CN(CC(C)(C)O)C[C@@H]1OC ZINC000234868567 363434856 /nfs/dbraw/zinc/43/48/56/363434856.db2.gz OWSHXBJZNFGACE-IUCAKERBSA-N 0 3 203.282 0.103 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1ccc(F)cn1 ZINC000346253782 354880919 /nfs/dbraw/zinc/88/09/19/354880919.db2.gz HCBPUQHDOPDDOW-MRVPVSSYSA-N 0 3 225.267 0.901 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CCCS1 ZINC000346254889 354881414 /nfs/dbraw/zinc/88/14/14/354881414.db2.gz HFEHHNAEDWXEKR-BDAKNGLRSA-N 0 3 216.350 0.948 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CCOCC(F)F ZINC000346444822 354940429 /nfs/dbraw/zinc/94/04/29/354940429.db2.gz LPTCRBWYKSLMMC-HTQZYQBOSA-N 0 3 209.236 0.723 20 0 BCADHN C[C@@]1(CNC(=O)N2CCCNCC2)CCOC1 ZINC000335163783 354949922 /nfs/dbraw/zinc/94/99/22/354949922.db2.gz JUIGZXXUZBVWIX-LBPRGKRZSA-N 0 3 241.335 0.418 20 0 BCADHN CC[C@@H](C(=O)NCCC(N)=O)N(CC)CC ZINC000346513432 354963539 /nfs/dbraw/zinc/96/35/39/354963539.db2.gz WXSVACYSSYYZPY-VIFPVBQESA-N 0 3 229.324 0.098 20 0 BCADHN CN(CCOCC(F)F)[C@@]1(CO)CCOC1 ZINC000346513673 354963812 /nfs/dbraw/zinc/96/38/12/354963812.db2.gz APWSYTSODRSYRJ-SNVBAGLBSA-N 0 3 239.262 0.351 20 0 BCADHN CC(=O)CCCC(=O)NCCOCCN(C)C ZINC000351975484 134025395 /nfs/dbraw/zinc/02/53/95/134025395.db2.gz PBIZCGJKZMZLIA-UHFFFAOYSA-N 0 3 244.335 0.440 20 0 BCADHN C[C@H]1CN(CCOCC(F)F)C[C@H]1O ZINC000346556559 354967325 /nfs/dbraw/zinc/96/73/25/354967325.db2.gz IIFLYCIQEHBFIQ-JGVFFNPUSA-N 0 3 209.236 0.581 20 0 BCADHN C[C@@H](N[C@H]1CCCNC1=O)[C@@H]1CC1(F)F ZINC000639224698 354974442 /nfs/dbraw/zinc/97/44/42/354974442.db2.gz ODXBHETUPPGWIS-CSMHCCOUSA-N 0 3 218.247 0.898 20 0 BCADHN COCCCN(C)C(=O)[C@@H]1CCCN1C ZINC000346520786 354975012 /nfs/dbraw/zinc/97/50/12/354975012.db2.gz DLGTYUQTIQONIV-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN O[C@@H]1CC[C@H]2CN(CCOCC(F)F)C[C@@H]12 ZINC000346590182 354985680 /nfs/dbraw/zinc/98/56/80/354985680.db2.gz XVOXIRXGQLIIQE-IVZWLZJFSA-N 0 3 235.274 0.971 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N(C)CCN(C)C1CC1 ZINC000351968398 134024969 /nfs/dbraw/zinc/02/49/69/134024969.db2.gz JKISEKVQMWCIHH-JTQLQIEISA-N 0 3 239.363 0.680 20 0 BCADHN COC(C)(C)CCN(C)[C@]1(CO)CCOC1 ZINC000346615179 354994191 /nfs/dbraw/zinc/99/41/91/354994191.db2.gz OBWCFKGGUXVISD-LBPRGKRZSA-N 0 3 231.336 0.885 20 0 BCADHN CCNS(=O)(=O)NCCN1CCCC[C@@H]1C ZINC000346622521 354995793 /nfs/dbraw/zinc/99/57/93/354995793.db2.gz MOGLSEXUMOQCSF-JTQLQIEISA-N 0 3 249.380 0.305 20 0 BCADHN CCCN(CC(=O)N1CCNC1=O)CC(C)C ZINC000346584474 355001453 /nfs/dbraw/zinc/00/14/53/355001453.db2.gz RNQMLEUHFSNEDO-UHFFFAOYSA-N 0 3 241.335 0.906 20 0 BCADHN CC[C@@H](OC)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000335966071 134028031 /nfs/dbraw/zinc/02/80/31/134028031.db2.gz SSYSGAGNZAXRJO-YPMHNXCESA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)[C@@H]1CN([C@H]2CCN(C)C2=O)CCN1C ZINC000335206630 355042350 /nfs/dbraw/zinc/04/23/50/355042350.db2.gz AAXZQMBKOIIBHT-RYUDHWBXSA-N 0 3 239.363 0.489 20 0 BCADHN COC(=O)[C@@H]1CCN([C@H](C)C(=O)N(C)C)[C@@H]1C ZINC000346662137 355005671 /nfs/dbraw/zinc/00/56/71/355005671.db2.gz WFFROSKRVSCFNR-OPRDCNLKSA-N 0 3 242.319 0.347 20 0 BCADHN COC(=O)[C@@H]1CCN([C@H]2CCCNC2=O)[C@@H]1C ZINC000346679771 355010986 /nfs/dbraw/zinc/01/09/86/355010986.db2.gz ATDLKWLBPNAEBQ-BBBLOLIVSA-N 0 3 240.303 0.148 20 0 BCADHN C[C@@H](CO)N1CCCN(Cc2cccnc2)CC1 ZINC000346632724 355014133 /nfs/dbraw/zinc/01/41/33/355014133.db2.gz DQGYMYJAYWSXBA-ZDUSSCGKSA-N 0 3 249.358 0.970 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N1CC(C)(C)C[C@H]1C ZINC000335189127 355020628 /nfs/dbraw/zinc/02/06/28/355020628.db2.gz KAZFERVGCBQDGO-RKDXNWHRSA-N 0 3 241.335 0.951 20 0 BCADHN C[C@H]1NC(=O)N(CCN2CCC[C@@H](C)C2)C1=O ZINC000335962841 134027330 /nfs/dbraw/zinc/02/73/30/134027330.db2.gz VTEFARMJAXQMIY-NXEZZACHSA-N 0 3 239.319 0.659 20 0 BCADHN COC(=O)[C@@H]1CCN([C@@H]2CCN(C)C2=O)[C@@H]1C ZINC000346691314 355074911 /nfs/dbraw/zinc/07/49/11/355074911.db2.gz VVJHYFYRDIAZIT-OPRDCNLKSA-N 0 3 240.303 0.101 20 0 BCADHN C[C@@H]1[C@H](CO)CCCN1CC(=O)N(C)C ZINC000335182612 355080616 /nfs/dbraw/zinc/08/06/16/355080616.db2.gz XHANFRRYRVLMBH-ZJUUUORDSA-N 0 3 214.309 0.167 20 0 BCADHN CN1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000335184091 355082470 /nfs/dbraw/zinc/08/24/70/355082470.db2.gz OGJWZMJNSLKFKW-LBPRGKRZSA-N 0 3 237.347 0.387 20 0 BCADHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C)[nH]n1 ZINC000335215457 355053157 /nfs/dbraw/zinc/05/31/57/355053157.db2.gz CLOZNALICPGSEK-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C)n[nH]1 ZINC000335215457 355053160 /nfs/dbraw/zinc/05/31/60/355053160.db2.gz CLOZNALICPGSEK-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN Cc1cc(C(=O)N(C)C[C@H]2CCCN2C)[nH]n1 ZINC000335215460 355053497 /nfs/dbraw/zinc/05/34/97/355053497.db2.gz CLOZNALICPGSEK-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN Cc1cc(C(=O)N(C)C[C@H]2CCCN2C)n[nH]1 ZINC000335215460 355053500 /nfs/dbraw/zinc/05/35/00/355053500.db2.gz CLOZNALICPGSEK-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1CCCN1C ZINC000346724594 355104653 /nfs/dbraw/zinc/10/46/53/355104653.db2.gz PKCCRZOLCBBBFS-GMTAPVOTSA-N 0 3 226.320 0.452 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2ccc(OC)nc2)C1 ZINC000412834587 191318552 /nfs/dbraw/zinc/31/85/52/191318552.db2.gz GUVXHCQBSLUVNL-LLVKDONJSA-N 0 3 249.314 0.914 20 0 BCADHN CCN1CC[C@@H](NC(=O)C[C@H](C)C(=O)OC)C1 ZINC000412836499 191318620 /nfs/dbraw/zinc/31/86/20/191318620.db2.gz IUIFUVQXXHTFSQ-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN CCc1cc(C(=O)N[C@H]2CCN(CC)C2)[nH]n1 ZINC000412833320 191318826 /nfs/dbraw/zinc/31/88/26/191318826.db2.gz FKHQSKKWMLNIKL-JTQLQIEISA-N 0 3 236.319 0.796 20 0 BCADHN CO[C@@]1(CN2CC[C@@H](F)C2)CCOC1 ZINC000639228314 355091171 /nfs/dbraw/zinc/09/11/71/355091171.db2.gz OCSITDVEQXDMFK-NXEZZACHSA-N 0 3 203.257 0.836 20 0 BCADHN C[C@@H](O)CNC(=O)CC1CCN(C)CC1 ZINC000346818780 355124201 /nfs/dbraw/zinc/12/42/01/355124201.db2.gz WSWGUYIYQQYLEY-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2nccc(C)n2)C1 ZINC000412876897 191324531 /nfs/dbraw/zinc/32/45/31/191324531.db2.gz LBPAMGGJDKZOSU-SNVBAGLBSA-N 0 3 234.303 0.609 20 0 BCADHN CCN1CC[C@@H](NC(=O)N2CCC[C@@H](O)C2)C1 ZINC000335234609 355095022 /nfs/dbraw/zinc/09/50/22/355095022.db2.gz CGMSOXBLUPUOJQ-GHMZBOCLSA-N 0 3 241.335 0.247 20 0 BCADHN C[C@H](O)[C@H]1CCN(CC(=O)N(C)C2CC2)C1 ZINC000166074148 355096977 /nfs/dbraw/zinc/09/69/77/355096977.db2.gz YJUHLDOSWOUNME-UWVGGRQHSA-N 0 3 226.320 0.310 20 0 BCADHN CCN1CC[C@H](NC(=O)c2nccc(C)n2)C1 ZINC000412876896 191325077 /nfs/dbraw/zinc/32/50/77/191325077.db2.gz LBPAMGGJDKZOSU-JTQLQIEISA-N 0 3 234.303 0.609 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)c2ccsc2)C1 ZINC000335239323 355101735 /nfs/dbraw/zinc/10/17/35/355101735.db2.gz JBFYTZCUBZPNRK-LLVKDONJSA-N 0 3 240.328 0.545 20 0 BCADHN CN1CCC(C(=O)NC[C@@H](O)C2CC2)CC1 ZINC000346836389 355131679 /nfs/dbraw/zinc/13/16/79/355131679.db2.gz ZCBRSIRNCQCTJC-LLVKDONJSA-N 0 3 226.320 0.215 20 0 BCADHN C[C@@H]1CCN([C@@H]2CC(=O)N(C)C2=O)C[C@H]1C ZINC000346905911 355150169 /nfs/dbraw/zinc/15/01/69/355150169.db2.gz AKBNVVXSDAHKLT-OPRDCNLKSA-N 0 3 224.304 0.722 20 0 BCADHN CN(CCNC(=O)N(C)C)CCOC1CCC1 ZINC000347021042 355206587 /nfs/dbraw/zinc/20/65/87/355206587.db2.gz ZTUUPGJVMCLORW-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN C[C@H]1C[C@H](O)CN1C(=O)NC1CCN(C)CC1 ZINC000335253708 355210898 /nfs/dbraw/zinc/21/08/98/355210898.db2.gz VRZCDHWRWBMDGJ-ONGXEEELSA-N 0 3 241.335 0.245 20 0 BCADHN CC[C@H](C)[C@@H](CN1CCC[C@@H]1C(N)=O)OC ZINC000639232142 355213967 /nfs/dbraw/zinc/21/39/67/355213967.db2.gz BJEKHOZXOHXAQJ-HBNTYKKESA-N 0 3 228.336 0.997 20 0 BCADHN C[C@@H](O)CCNC(=O)CC1CCN(C)CC1 ZINC000346994444 355192784 /nfs/dbraw/zinc/19/27/84/355192784.db2.gz ZJMWPGSENNLNJG-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H](CO)C1 ZINC000412924525 191326897 /nfs/dbraw/zinc/32/68/97/191326897.db2.gz ZYOQKBAOYGMAHU-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](N[C@H]1CS[C@@H](C)C1)C(=O)NC ZINC000639241299 355226960 /nfs/dbraw/zinc/22/69/60/355226960.db2.gz JIBAAAOAKDRNJB-YIZRAAEISA-N 0 3 216.350 0.995 20 0 BCADHN C[C@@]1(CNCc2ccc(CO)cc2)CCC(=O)N1 ZINC000639244976 355235802 /nfs/dbraw/zinc/23/58/02/355235802.db2.gz RNFJRZMSQUKRKR-AWEZNQCLSA-N 0 3 248.326 0.937 20 0 BCADHN CC[C@@H](C(=O)N(CC(=O)OC)C1CC1)N(C)C ZINC000413593205 191397896 /nfs/dbraw/zinc/39/78/96/191397896.db2.gz VJJAOLXGZWDZRG-JTQLQIEISA-N 0 3 242.319 0.491 20 0 BCADHN CCC[C@@H](CN1CCN(CCO)C[C@@H]1C)OC ZINC000639245185 355254847 /nfs/dbraw/zinc/25/48/47/355254847.db2.gz VLQAJZYLPMGKBQ-STQMWFEESA-N 0 3 244.379 0.800 20 0 BCADHN CO[C@@H](C(=O)N1CCC[C@@H]1CN(C)C)C1CC1 ZINC000413331092 191374448 /nfs/dbraw/zinc/37/44/48/191374448.db2.gz DRSZQFGYOQPQGJ-VXGBXAGGSA-N 0 3 240.347 0.964 20 0 BCADHN COCCOC[C@@H](O)CNCc1occc1C ZINC000383752839 355274984 /nfs/dbraw/zinc/27/49/84/355274984.db2.gz ZXAJSNVNVROPHP-NSHDSACASA-N 0 3 243.303 0.702 20 0 BCADHN N[C@@H](C(=O)NCCc1ccncc1)C1CCC1 ZINC000399081437 355257678 /nfs/dbraw/zinc/25/76/78/355257678.db2.gz SBLMVUOCFSOEIA-GFCCVEGCSA-N 0 3 233.315 0.868 20 0 BCADHN COCC1(C)CN(C[C@]2(OC)CCOC2)C1 ZINC000639255410 355298682 /nfs/dbraw/zinc/29/86/82/355298682.db2.gz RGMNFXJNKDYENG-GFCCVEGCSA-N 0 3 229.320 0.760 20 0 BCADHN CC(C(=O)Nc1cn(C)nn1)C(F)(F)F ZINC000335436622 355307870 /nfs/dbraw/zinc/30/78/70/355307870.db2.gz LDGJGAITYOPPKL-BYPYZUCNSA-N 0 3 222.170 0.952 20 0 BCADHN CC[C@](C)(CN1CC(C(=O)NC)C1)OC ZINC000639262981 355317684 /nfs/dbraw/zinc/31/76/84/355317684.db2.gz DUXIFEFBCWGDAQ-LLVKDONJSA-N 0 3 214.309 0.479 20 0 BCADHN CO[C@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000348988412 355336858 /nfs/dbraw/zinc/33/68/58/355336858.db2.gz HIECZXSJEZEUBO-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@@H]1CO)N(C)C ZINC000413651303 191401722 /nfs/dbraw/zinc/40/17/22/191401722.db2.gz XMWYEJRXKVMNCZ-ZJUUUORDSA-N 0 3 214.309 0.310 20 0 BCADHN CO[C@@H](CN1CC(CCO)C1)[C@H]1CCOC1 ZINC000639251352 355284040 /nfs/dbraw/zinc/28/40/40/355284040.db2.gz MKZUWAMBMNWMNA-RYUDHWBXSA-N 0 3 229.320 0.352 20 0 BCADHN CC(C)(CN1CC(CCO)C1)N1CCOCC1 ZINC000639251965 355285618 /nfs/dbraw/zinc/28/56/18/355285618.db2.gz ZBLOZGZHIWXNHW-UHFFFAOYSA-N 0 3 242.363 0.411 20 0 BCADHN CO[C@]1(CN2CC(CCO)C2)CCOC1 ZINC000639251797 355285689 /nfs/dbraw/zinc/28/56/89/355285689.db2.gz WQZLTAOGUMPQHP-NSHDSACASA-N 0 3 215.293 0.106 20 0 BCADHN CC[C@H](C(=O)N(CCO)C1CCC1)N(C)C ZINC000413727697 191406819 /nfs/dbraw/zinc/40/68/19/191406819.db2.gz BZBMIRMXRFTHOD-LLVKDONJSA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@@H](Nc1nc(N)nc(N)n1)c1ccccc1 ZINC000623903732 355366001 /nfs/dbraw/zinc/36/60/01/355366001.db2.gz NYJDACZRBVZQCU-SECBINFHSA-N 0 3 244.302 0.682 20 0 BCADHN CO[C@](C)(CN(C)CCNC(C)=O)C1CC1 ZINC000639284904 355386582 /nfs/dbraw/zinc/38/65/82/355386582.db2.gz DXSKAJGAEXNFLD-GFCCVEGCSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cnc(N)nc1N ZINC000639270404 355338748 /nfs/dbraw/zinc/33/87/48/355338748.db2.gz GJVUIUHFDSHMOH-HRDYMLBCSA-N 0 3 235.335 0.778 20 0 BCADHN CCN(C)CCNC(=O)CN1CC(C)(C)C1 ZINC000583508496 355346120 /nfs/dbraw/zinc/34/61/20/355346120.db2.gz LYCIHKYQRDOVID-UHFFFAOYSA-N 0 3 227.352 0.396 20 0 BCADHN Cc1cnc(C)nc1N1CC(N(C)C)C1 ZINC000583510654 355347174 /nfs/dbraw/zinc/34/71/74/355347174.db2.gz YNXDRAMNMNYHBG-UHFFFAOYSA-N 0 3 206.293 0.844 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@H](C)OC ZINC000191209860 355348133 /nfs/dbraw/zinc/34/81/33/355348133.db2.gz FSKKGWHFOAFPSN-BDAKNGLRSA-N 0 3 223.338 0.434 20 0 BCADHN CC[C@]1(C)CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000335740762 355390918 /nfs/dbraw/zinc/39/09/18/355390918.db2.gz JVQKQPDZNAKGBQ-LDYMZIIASA-N 0 3 227.308 0.692 20 0 BCADHN CCC[C@@H](CN[C@@H]1COC[C@H]1OC)OC ZINC000639285547 355390983 /nfs/dbraw/zinc/39/09/83/355390983.db2.gz MXFSEENUGQZHET-HBNTYKKESA-N 0 3 217.309 0.805 20 0 BCADHN COCCNCCNC(=O)[C@@H]1CC=CCC1 ZINC000216327474 355354769 /nfs/dbraw/zinc/35/47/69/355354769.db2.gz AGWROOREOPHAMO-LLVKDONJSA-N 0 3 226.320 0.695 20 0 BCADHN CCc1nn(C)cc1CNC[C@H]1C[C@@H](O)C1 ZINC000623749303 355356753 /nfs/dbraw/zinc/35/67/53/355356753.db2.gz BPHIRXIOILRABH-JGZJWPJOSA-N 0 3 223.320 0.843 20 0 BCADHN OCCCN(CCn1cncn1)C1CC1 ZINC000389591310 355360139 /nfs/dbraw/zinc/36/01/39/355360139.db2.gz MBLSTSUBFXIWRB-UHFFFAOYSA-N 0 3 210.281 0.125 20 0 BCADHN Cc1nn(C)cc1CNC[C@H]1C[C@@H](O)C1 ZINC000623749457 355362769 /nfs/dbraw/zinc/36/27/69/355362769.db2.gz GVBVEEJVSIXRCD-JGZJWPJOSA-N 0 3 209.293 0.589 20 0 BCADHN CCONC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000166423314 355416984 /nfs/dbraw/zinc/41/69/84/355416984.db2.gz KDQMPFVXZOLYFC-SNVBAGLBSA-N 0 3 227.308 0.818 20 0 BCADHN CC1(C)CN(C(=O)CCn2cccn2)CCN1 ZINC000335788140 355438364 /nfs/dbraw/zinc/43/83/64/355438364.db2.gz NOFZLBISCJYYIQ-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN COC1CC(N2CCc3n[nH]cc3C2)C1 ZINC000623241578 355490950 /nfs/dbraw/zinc/49/09/50/355490950.db2.gz YQIYPWFMIURION-UHFFFAOYSA-N 0 3 207.277 0.945 20 0 BCADHN CCNC(=O)CN1CCC[C@H]2COCC[C@@H]21 ZINC000335801497 355495261 /nfs/dbraw/zinc/49/52/61/355495261.db2.gz LLCRZHZCPOYALE-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN CN(C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000335797910 355454735 /nfs/dbraw/zinc/45/47/35/355454735.db2.gz DITRWJMCQNADSO-SNVBAGLBSA-N 0 3 211.309 0.837 20 0 BCADHN CC[C@H](NCC[C@H](O)COC)c1ccn(C)n1 ZINC000349777807 355459543 /nfs/dbraw/zinc/45/95/43/355459543.db2.gz QNGNTZZBUSAUDH-QWRGUYRKSA-N 0 3 241.335 0.858 20 0 BCADHN CC(C)OCC[C@H](O)CN(C)[C@@H]1CCOC1 ZINC000349851715 355482895 /nfs/dbraw/zinc/48/28/95/355482895.db2.gz IEWKDGZWEIFHKR-NEPJUHHUSA-N 0 3 231.336 0.883 20 0 BCADHN CCN(C)CCNC(=O)[C@@H](OC)C1CC1 ZINC000349826421 355486091 /nfs/dbraw/zinc/48/60/91/355486091.db2.gz CBFAOOFDYAIXOE-JTQLQIEISA-N 0 3 214.309 0.479 20 0 BCADHN CC[C@]1(CO)CCCN([C@H]2CCCNC2=O)C1 ZINC000335821320 355540347 /nfs/dbraw/zinc/54/03/47/355540347.db2.gz NNVOLZJFRFQVTJ-AAEUAGOBSA-N 0 3 240.347 0.750 20 0 BCADHN CO[C@@H](CN1CC(N2CC[C@@H](O)C2)C1)C1CC1 ZINC000639293265 355545513 /nfs/dbraw/zinc/54/55/13/355545513.db2.gz ABKANUXPBXQROJ-OLZOCXBDSA-N 0 3 240.347 0.162 20 0 BCADHN CC[C@@](C)(NC[C@@H](O)CCOC(C)C)C(N)=O ZINC000349884540 355518218 /nfs/dbraw/zinc/51/82/18/355518218.db2.gz QMJIRPAFXSRHKT-CMPLNLGQSA-N 0 3 246.351 0.406 20 0 BCADHN CC[C@](C)(CN1CC(N2CC[C@@H](O)C2)C1)OC ZINC000639296546 355594416 /nfs/dbraw/zinc/59/44/16/355594416.db2.gz WEJBBPOEJXLSHZ-CHWSQXEVSA-N 0 3 242.363 0.552 20 0 BCADHN OC[C@H](CCF)NCc1ccns1 ZINC000639296475 355594909 /nfs/dbraw/zinc/59/49/09/355594909.db2.gz RQARYAVWLGDJLA-ZETCQYMHSA-N 0 3 204.270 0.953 20 0 BCADHN OCc1ccc(CN[C@H](CO)CCF)cc1 ZINC000639297467 355603936 /nfs/dbraw/zinc/60/39/36/355603936.db2.gz WKWPZZLQECMDRH-LBPRGKRZSA-N 0 3 227.279 0.989 20 0 BCADHN Cc1nccc(CN2CCCN(C)CC2)n1 ZINC000350118828 355608313 /nfs/dbraw/zinc/60/83/13/355608313.db2.gz HGRAVSCORNQSSQ-UHFFFAOYSA-N 0 3 220.320 0.923 20 0 BCADHN NC(=O)CC(=O)N1CCN(C2CCCC2)CC1 ZINC000336444054 181201210 /nfs/dbraw/zinc/20/12/10/181201210.db2.gz HBPYQWWCOBGTAA-UHFFFAOYSA-N 0 3 239.319 0.999 20 0 BCADHN CS[C@@H]1CN(C(=O)N(C)C)C[C@H]1N(C)C ZINC000335838004 355566313 /nfs/dbraw/zinc/56/63/13/355566313.db2.gz LYDDQQMOTITFRP-RKDXNWHRSA-N 0 3 231.365 0.645 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000350145836 355614512 /nfs/dbraw/zinc/61/45/12/355614512.db2.gz ISXHSALWZVBWBS-MWLCHTKSSA-N 0 3 226.320 0.356 20 0 BCADHN CN(C)C(=O)NCCN(C)CC1=CCCOC1 ZINC000350033512 355578729 /nfs/dbraw/zinc/57/87/29/355578729.db2.gz CQOZMYXNZFVBQU-UHFFFAOYSA-N 0 3 241.335 0.536 20 0 BCADHN CO[C@](C)(CO)CNCc1ccc(CO)cc1 ZINC000639295445 355579819 /nfs/dbraw/zinc/57/98/19/355579819.db2.gz ISEWFEIIBUIFCO-ZDUSSCGKSA-N 0 3 239.315 0.666 20 0 BCADHN [O-]c1cccnc1C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000584347281 355580819 /nfs/dbraw/zinc/58/08/19/355580819.db2.gz WVCDGBUZAKXZGF-VIFPVBQESA-N 0 3 245.286 0.895 20 0 BCADHN [O-]c1cccnc1C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000584347281 355580821 /nfs/dbraw/zinc/58/08/21/355580821.db2.gz WVCDGBUZAKXZGF-VIFPVBQESA-N 0 3 245.286 0.895 20 0 BCADHN Cn1ncnc1CNC[C@H]1CCN1C(C)(C)C ZINC000639303105 355652807 /nfs/dbraw/zinc/65/28/07/355652807.db2.gz MOWVMUGBALUKTF-SNVBAGLBSA-N 0 3 237.351 0.778 20 0 BCADHN CC[C@@](C)(CN[C@H]1CCNC1=O)OC ZINC000639304302 355659047 /nfs/dbraw/zinc/65/90/47/355659047.db2.gz XJRXHIYIUCQQAZ-WPRPVWTQSA-N 0 3 200.282 0.280 20 0 BCADHN OC/C=C\CNCc1ccc(CO)cc1 ZINC000639307714 355662488 /nfs/dbraw/zinc/66/24/88/355662488.db2.gz FUCQSWPGQVZNMR-UPHRSURJSA-N 0 3 207.273 0.817 20 0 BCADHN COCCNCCNC(=O)NCC(C)C ZINC000416440500 191745126 /nfs/dbraw/zinc/74/51/26/191745126.db2.gz SPSKBKMRRITNJT-UHFFFAOYSA-N 0 3 217.313 0.178 20 0 BCADHN CC[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1OC)C1CC1 ZINC000639310135 355666503 /nfs/dbraw/zinc/66/65/03/355666503.db2.gz OFLCNTUVDXUOPB-AXFHLTTASA-N 0 3 247.360 0.577 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000389081750 355619823 /nfs/dbraw/zinc/61/98/23/355619823.db2.gz 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SDRRTMZWYMNNRS-NWDGAFQWSA-N 0 3 249.314 0.038 20 0 BCADHN CCC[C@@H](CN1CCN2C[C@H](O)C[C@H]2C1)OC ZINC000639299623 355629128 /nfs/dbraw/zinc/62/91/28/355629128.db2.gz UDECJPKLNFFYSL-XQQFMLRXSA-N 0 3 242.363 0.552 20 0 BCADHN O=C1CC[C@@H]2CN(CC[C@@H]3CCCO3)CCN12 ZINC000335871047 355636706 /nfs/dbraw/zinc/63/67/06/355636706.db2.gz KHNRYRJBOYMZPC-NEPJUHHUSA-N 0 3 238.331 0.862 20 0 BCADHN C[C@H]1NCCN(C(=O)Cn2ccccc2=O)[C@@H]1C ZINC000335894692 355689251 /nfs/dbraw/zinc/68/92/51/355689251.db2.gz WUAMRSLXESKCNF-GHMZBOCLSA-N 0 3 249.314 0.057 20 0 BCADHN CC[C@@H](NCc1cnc(N)nc1N)C1CC1 ZINC000639316299 355708356 /nfs/dbraw/zinc/70/83/56/355708356.db2.gz HXOLRDOXQYGFCF-SECBINFHSA-N 0 3 221.308 0.580 20 0 BCADHN CCCN(C)CC(=O)N1Cc2cnn(C)c2C1 ZINC000623245090 355708473 /nfs/dbraw/zinc/70/84/73/355708473.db2.gz OSAUYOKXGLNKCK-UHFFFAOYSA-N 0 3 236.319 0.604 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000336007972 134049696 /nfs/dbraw/zinc/04/96/96/134049696.db2.gz KPMNZRXGLXFJCJ-ZYHUDNBSSA-N 0 3 248.330 0.961 20 0 BCADHN CC(C)OCCCNC(=O)N1CCCNCC1 ZINC000416804464 191763651 /nfs/dbraw/zinc/76/36/51/191763651.db2.gz KABJCBIEXNHZFF-UHFFFAOYSA-N 0 3 243.351 0.806 20 0 BCADHN CC[C@@H]1CC[C@H](C(=O)N2CCCNCC2)O1 ZINC000335892956 355686396 /nfs/dbraw/zinc/68/63/96/355686396.db2.gz QTFJGWGGVKWOQR-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Nc1ccnn1C ZINC000350661830 355738989 /nfs/dbraw/zinc/73/89/89/355738989.db2.gz CZLQWTOXRQJXDH-QMMMGPOBSA-N 0 3 225.296 0.492 20 0 BCADHN CO[C@@](C)(CN1CCc2n[nH]nc2C1)C1CC1 ZINC000639332917 355759299 /nfs/dbraw/zinc/75/92/99/355759299.db2.gz RCDDWRRLGKJEMA-LBPRGKRZSA-N 0 3 236.319 0.978 20 0 BCADHN C(C[C@H]1CCO1)CN1CCc2nn[nH]c2C1 ZINC000639333665 355764618 /nfs/dbraw/zinc/76/46/18/355764618.db2.gz ZGZYPMPKOZQAHP-VIFPVBQESA-N 0 3 222.292 0.732 20 0 BCADHN C(C[C@H]1CCO1)CN1CCc2n[nH]nc2C1 ZINC000639333665 355764623 /nfs/dbraw/zinc/76/46/23/355764623.db2.gz ZGZYPMPKOZQAHP-VIFPVBQESA-N 0 3 222.292 0.732 20 0 BCADHN O=C1CC[C@@H](CNCc2c[nH]c3ncncc23)N1 ZINC000639322254 355723613 /nfs/dbraw/zinc/72/36/13/355723613.db2.gz ZIJWFMRTLDYGTP-VIFPVBQESA-N 0 3 245.286 0.278 20 0 BCADHN C[C@H](NCc1cn[nH]n1)[C@@H]1CCCCO1 ZINC000639339739 355780966 /nfs/dbraw/zinc/78/09/66/355780966.db2.gz AVNNNBWXZQXQLW-WPRPVWTQSA-N 0 3 210.281 0.852 20 0 BCADHN C[C@H](NCc1c[nH]nn1)[C@@H]1CCCCO1 ZINC000639339739 355780968 /nfs/dbraw/zinc/78/09/68/355780968.db2.gz AVNNNBWXZQXQLW-WPRPVWTQSA-N 0 3 210.281 0.852 20 0 BCADHN O=C1C[C@@H](N2CCc3n[nH]cc3C2)CCCN1 ZINC000639344622 355784940 /nfs/dbraw/zinc/78/49/40/355784940.db2.gz YPGDABGFEQZANP-JTQLQIEISA-N 0 3 234.303 0.437 20 0 BCADHN C[C@H]([C@H]1CCCCO1)N(CCO)CCO ZINC000639343922 355787491 /nfs/dbraw/zinc/78/74/91/355787491.db2.gz PHLGRNTYICIIBU-GHMZBOCLSA-N 0 3 217.309 0.231 20 0 BCADHN OCCN(CCO)Cc1ccc2nccnc2c1 ZINC000639344280 355787532 /nfs/dbraw/zinc/78/75/32/355787532.db2.gz SVFQKJNUJIZHBX-UHFFFAOYSA-N 0 3 247.298 0.416 20 0 BCADHN CCn1nncc1CNC[C@@H](OC)C1CC1 ZINC000639344210 355787589 /nfs/dbraw/zinc/78/75/89/355787589.db2.gz WSGMCRPVURXKLZ-LLVKDONJSA-N 0 3 224.308 0.813 20 0 BCADHN CN(C)c1ncc(CN[C@H]2CCC[C@@H]2O)cn1 ZINC000631252261 355791160 /nfs/dbraw/zinc/79/11/60/355791160.db2.gz ZQNAYKNNYJROND-QWRGUYRKSA-N 0 3 236.319 0.546 20 0 BCADHN Cc1nnsc1CNC[C@@H]1COCCN1C ZINC000639351999 355801238 /nfs/dbraw/zinc/80/12/38/355801238.db2.gz JTEYQPCVBIBALA-SECBINFHSA-N 0 3 242.348 0.267 20 0 BCADHN CCn1ncnc1CNC[C@H]1C[C@@H](OC)C1 ZINC000639355716 355810096 /nfs/dbraw/zinc/81/00/96/355810096.db2.gz BCQBZZHLHFEBAD-AOOOYVTPSA-N 0 3 224.308 0.813 20 0 BCADHN Cc1cc(CNCCN2CC[C@H](O)C2)sn1 ZINC000639357613 355812181 /nfs/dbraw/zinc/81/21/81/355812181.db2.gz PHKAPUNQXVAYQX-JTQLQIEISA-N 0 3 241.360 0.608 20 0 BCADHN C[C@H]1C[C@@H](N[C@@H]2COC[C@@H]2O)CS1 ZINC000639363441 355820453 /nfs/dbraw/zinc/82/04/53/355820453.db2.gz PYRUQIAQSGVJRG-KDXUFGMBSA-N 0 3 203.307 0.230 20 0 BCADHN CC[C@H](C)[C@@H](CN[C@@H]1COC[C@@H]1O)OC ZINC000639363356 355821801 /nfs/dbraw/zinc/82/18/01/355821801.db2.gz OQZMBPCXZBXJTB-ZRUFSTJUSA-N 0 3 217.309 0.397 20 0 BCADHN COc1cc(CNCCCOCCO)sn1 ZINC000399061709 355833552 /nfs/dbraw/zinc/83/35/52/355833552.db2.gz LVXLGWNFJSNEHI-UHFFFAOYSA-N 0 3 246.332 0.640 20 0 BCADHN COC[C@](C)(O)CNCc1cncs1 ZINC000389196573 355838823 /nfs/dbraw/zinc/83/88/23/355838823.db2.gz AXQNDMJTTWVPGA-SECBINFHSA-N 0 3 216.306 0.630 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@H](O)CC[C@H]1C ZINC000399231669 355852304 /nfs/dbraw/zinc/85/23/04/355852304.db2.gz KBKISSJQASSUGE-IJLUTSLNSA-N 0 3 231.336 0.618 20 0 BCADHN NC(=O)C1(NC2CCSCC2)CC1 ZINC000306157836 181214666 /nfs/dbraw/zinc/21/46/66/181214666.db2.gz FEBUGOKPKKIENX-UHFFFAOYSA-N 0 3 200.307 0.490 20 0 BCADHN C[C@H](CNC(=O)c1cnn2ccncc12)N(C)C ZINC000350892065 355866233 /nfs/dbraw/zinc/86/62/33/355866233.db2.gz GDEXNNLKTXMNCN-SECBINFHSA-N 0 3 247.302 0.409 20 0 BCADHN C[C@H]1CN(CC2CCOCC2)C[C@H](CO)O1 ZINC000191778405 355923443 /nfs/dbraw/zinc/92/34/43/355923443.db2.gz OXFYCRCVALKNEF-CMPLNLGQSA-N 0 3 229.320 0.495 20 0 BCADHN C[C@@H]1CN(CC2CCOCC2)C[C@H](CO)O1 ZINC000191778391 355923494 /nfs/dbraw/zinc/92/34/94/355923494.db2.gz OXFYCRCVALKNEF-ZYHUDNBSSA-N 0 3 229.320 0.495 20 0 BCADHN CC(C)(CO)CCNC[C@@H](O)C(F)(F)F ZINC000385916021 355926607 /nfs/dbraw/zinc/92/66/07/355926607.db2.gz RYQCWUGFSKSAAI-SSDOTTSWSA-N 0 3 229.242 0.908 20 0 BCADHN CC(C)N1CCC[C@H](NC(=O)[C@H](C)O)C1 ZINC000336051730 134064976 /nfs/dbraw/zinc/06/49/76/134064976.db2.gz PQQXLFQKXUNTSM-UWVGGRQHSA-N 0 3 214.309 0.356 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@H](n2cccn2)C1 ZINC000167222487 355978912 /nfs/dbraw/zinc/97/89/12/355978912.db2.gz UXOYMAPWHSIUOD-ZJUUUORDSA-N 0 3 222.292 0.394 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000019482778 355979142 /nfs/dbraw/zinc/97/91/42/355979142.db2.gz ZTHGUAKPECKDKM-AEJSXWLSSA-N 0 3 241.335 0.084 20 0 BCADHN C[C@H]1C[C@@H]1CN(C)CC(=O)N1CCOCC1 ZINC000351329983 355980209 /nfs/dbraw/zinc/98/02/09/355980209.db2.gz 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/nfs/dbraw/zinc/27/10/79/181271079.db2.gz DVAPEEHANPTQAI-SECBINFHSA-N 0 3 205.261 0.389 20 0 BCADHN NC(=O)[C@@H]1CN(C[C@@H]2CC=CCC2)CCO1 ZINC000092734920 181273163 /nfs/dbraw/zinc/27/31/63/181273163.db2.gz LPIGNNUPIBPDPY-MNOVXSKESA-N 0 3 224.304 0.529 20 0 BCADHN CCc1nc(CN2CCNC[C@@](C)(F)C2)no1 ZINC000420329659 192230175 /nfs/dbraw/zinc/23/01/75/192230175.db2.gz KLXHCYUBOOXYHZ-LLVKDONJSA-N 0 3 242.298 0.765 20 0 BCADHN CCN1CCN(C[C@H](O)CSC)[C@H](C)C1 ZINC000352664213 356400846 /nfs/dbraw/zinc/40/08/46/356400846.db2.gz BOHCMGYKWAZXNP-MNOVXSKESA-N 0 3 232.393 0.736 20 0 BCADHN CCN1CCN(CCN2CCCC2=O)[C@@H](C)C1 ZINC000352658242 356397375 /nfs/dbraw/zinc/39/73/75/356397375.db2.gz IJLUTYLTWKOEEU-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CCN1CCN(CCCNC(C)=O)[C@H](C)C1 ZINC000352659140 356397504 /nfs/dbraw/zinc/39/75/04/356397504.db2.gz LSSXSSGXNOFBHW-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN CCN1CCN(C[C@H](O)COC(C)C)[C@@H](C)C1 ZINC000352661675 356398521 /nfs/dbraw/zinc/39/85/21/356398521.db2.gz YIHJXPUWEOXMTR-STQMWFEESA-N 0 3 244.379 0.798 20 0 BCADHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCn1cccn1 ZINC000364957829 181275045 /nfs/dbraw/zinc/27/50/45/181275045.db2.gz WDRWCPLLLIABBH-WOPDTQHZSA-N 0 3 248.330 0.469 20 0 BCADHN CCN1CCN(C(=O)[C@@H](N)CC(C)C)CC1 ZINC000011960931 356421173 /nfs/dbraw/zinc/42/11/73/356421173.db2.gz RTXIEULUKOEMNA-NSHDSACASA-N 0 3 227.352 0.524 20 0 BCADHN c1[nH]nc2c1CN(CCc1cnccn1)CC2 ZINC000639550297 356422126 /nfs/dbraw/zinc/42/21/26/356422126.db2.gz ZCXODTYCTBQKHU-UHFFFAOYSA-N 0 3 229.287 0.801 20 0 BCADHN C[C@H]1[C@H](C)N(CCc2cncn2C)CCN1C ZINC000639559022 356464412 /nfs/dbraw/zinc/46/44/12/356464412.db2.gz NMGDEYGZRHNTSX-RYUDHWBXSA-N 0 3 236.363 0.987 20 0 BCADHN CN1CCOC[C@@H]1CNCc1ccccn1 ZINC000623710928 356457443 /nfs/dbraw/zinc/45/74/43/356457443.db2.gz PLGARBAFFDNOLX-LBPRGKRZSA-N 0 3 221.304 0.502 20 0 BCADHN CCN(CCn1c(C)csc1=O)C[C@H](C)O ZINC000352212072 134107810 /nfs/dbraw/zinc/10/78/10/134107810.db2.gz 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0.411 20 0 BCADHN CC(C)NS(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000420733527 192260257 /nfs/dbraw/zinc/26/02/57/192260257.db2.gz HZRIBLYHQUUQSW-SNVBAGLBSA-N 0 3 249.380 0.255 20 0 BCADHN CCCNS(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000420741214 192260561 /nfs/dbraw/zinc/26/05/61/192260561.db2.gz SPKXYOKGYAEMFG-SNVBAGLBSA-N 0 3 249.380 0.257 20 0 BCADHN C[C@H](C(=O)Nc1nccs1)N1CCNCC1 ZINC000020269965 356487673 /nfs/dbraw/zinc/48/76/73/356487673.db2.gz ROPXDPORVGRIDY-MRVPVSSYSA-N 0 3 240.332 0.375 20 0 BCADHN CCn1nncc1CNC[C@@H](C)COC ZINC000628376714 356474144 /nfs/dbraw/zinc/47/41/44/356474144.db2.gz IZUPSPVPUVSJIY-SECBINFHSA-N 0 3 212.297 0.670 20 0 BCADHN COC[C@H]1CCN(CC(=O)NC(C)C)C1 ZINC000352235284 134116336 /nfs/dbraw/zinc/11/63/36/134116336.db2.gz TVRNTNZWNHLCSJ-JTQLQIEISA-N 0 3 214.309 0.479 20 0 BCADHN Cc1ncc(CC(=O)N[C@H]2CCCN(C)C2)o1 ZINC000639568377 356494058 /nfs/dbraw/zinc/49/40/58/356494058.db2.gz NAYPXCKYNXTZHD-JTQLQIEISA-N 0 3 237.303 0.736 20 0 BCADHN CCN1CCN([C@@H](C)CNc2ncccn2)CC1 ZINC000301165921 356504755 /nfs/dbraw/zinc/50/47/55/356504755.db2.gz CBVMLXMMEIIPDA-LBPRGKRZSA-N 0 3 249.362 0.915 20 0 BCADHN CCN1CCN([C@H](C)CNc2ncccn2)CC1 ZINC000301165920 356505173 /nfs/dbraw/zinc/50/51/73/356505173.db2.gz CBVMLXMMEIIPDA-GFCCVEGCSA-N 0 3 249.362 0.915 20 0 BCADHN C[C@H](NC[C@@H]1CCO[C@H]1C)c1nncn1C ZINC000639582802 356506501 /nfs/dbraw/zinc/50/65/01/356506501.db2.gz YWCFDIQXNRLJFG-GUBZILKMSA-N 0 3 224.308 0.891 20 0 BCADHN CCO[C@H]1COCC[C@@H]1NCC(C)=O ZINC000639595972 356514214 /nfs/dbraw/zinc/51/42/14/356514214.db2.gz PWXGNFWAELTHSR-UWVGGRQHSA-N 0 3 201.266 0.359 20 0 BCADHN CC(=O)N[C@@H]1CCN(CCOCC(C)C)C1 ZINC000420949338 192276068 /nfs/dbraw/zinc/27/60/68/192276068.db2.gz FKOBEJMYHCLVBY-GFCCVEGCSA-N 0 3 228.336 0.869 20 0 BCADHN CC(=O)N[C@H]1CCN(C[C@H](O)CCC(C)C)C1 ZINC000420948267 192276337 /nfs/dbraw/zinc/27/63/37/192276337.db2.gz DHQOFZXGWVUVDX-QWHCGFSZSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](CO)N(C[C@H](C)O)C[C@H]1CC(C)(C)CO1 ZINC000639607671 356522390 /nfs/dbraw/zinc/52/23/90/356522390.db2.gz XXHKGBARBIEWEY-GRYCIOLGSA-N 0 3 245.363 0.865 20 0 BCADHN C[C@H](O)CN(CCc1cnccn1)[C@@H](C)CO ZINC000639606043 356526815 /nfs/dbraw/zinc/52/68/15/356526815.db2.gz NWYZHXROHOHWSY-QWRGUYRKSA-N 0 3 239.319 0.083 20 0 BCADHN CCN(CC(N)=O)C[C@@H]1CCO[C@@H]1C ZINC000639610149 356528414 /nfs/dbraw/zinc/52/84/14/356528414.db2.gz PUJFLKCHCSLOQE-BDAKNGLRSA-N 0 3 200.282 0.219 20 0 BCADHN CCN(CC(N)=O)C[C@H]1CCO[C@H]1C ZINC000639610150 356528556 /nfs/dbraw/zinc/52/85/56/356528556.db2.gz PUJFLKCHCSLOQE-DTWKUNHWSA-N 0 3 200.282 0.219 20 0 BCADHN CN(CCc1ccccn1)[C@]1(CO)CCOC1 ZINC000639598730 356518167 /nfs/dbraw/zinc/51/81/67/356518167.db2.gz OUZLBDPGFGUPLQ-ZDUSSCGKSA-N 0 3 236.315 0.707 20 0 BCADHN CC1(C)CN(Cc2cc[nH]c(=O)c2)C[C@@H]1O ZINC000639618200 356535040 /nfs/dbraw/zinc/53/50/40/356535040.db2.gz FWICCARTAXIYNI-JTQLQIEISA-N 0 3 222.288 0.990 20 0 BCADHN CCCCCN(CC(N)=O)C[C@H]1C[C@@H](O)C1 ZINC000420939340 192288527 /nfs/dbraw/zinc/28/85/27/192288527.db2.gz MZIZPXMDONFCMC-PHIMTYICSA-N 0 3 228.336 0.735 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2ccnc(OC)c2)C1 ZINC000420978863 192289673 /nfs/dbraw/zinc/28/96/73/192289673.db2.gz SENWTOLHZRWPDQ-NSHDSACASA-N 0 3 249.314 0.658 20 0 BCADHN C[C@H](CO)N(C)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000639632319 356547089 /nfs/dbraw/zinc/54/70/89/356547089.db2.gz YNNWDZQQQLTDGJ-JLLWLGSASA-N 0 3 231.336 0.211 20 0 BCADHN CCN1CCN(C[C@@H]2CCc3ncnn32)[C@@H](C)C1 ZINC000639639723 356552815 /nfs/dbraw/zinc/55/28/15/356552815.db2.gz AVOMVCHJKNSNSM-RYUDHWBXSA-N 0 3 249.362 0.791 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC(C)(C)CO ZINC000088175010 491095173 /nfs/dbraw/zinc/09/51/73/491095173.db2.gz KIGAVBOEYGLZFI-QMMMGPOBSA-N 0 3 223.338 0.028 20 0 BCADHN CC[C@@H](NCc1cccn1C)C(=O)NC ZINC000449775469 202032914 /nfs/dbraw/zinc/03/29/14/202032914.db2.gz NDRFDDOVKRZSAZ-SNVBAGLBSA-N 0 3 209.293 0.639 20 0 BCADHN C[C@@H](c1nnnn1C)N(C)C[C@H]1CCCN1C ZINC000421006959 192298783 /nfs/dbraw/zinc/29/87/83/192298783.db2.gz WUNSXKMKRMOQMN-VHSXEESVSA-N 0 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COc1ccc(CNCC2(CC(N)=O)CC2)cn1 ZINC000421354089 192320903 /nfs/dbraw/zinc/32/09/03/192320903.db2.gz VHEJMRSSSBTECG-UHFFFAOYSA-N 0 3 249.314 0.835 20 0 BCADHN CC(=O)CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000639660375 356569449 /nfs/dbraw/zinc/56/94/49/356569449.db2.gz USOTYEFXVJYYCS-RYUDHWBXSA-N 0 3 227.304 0.485 20 0 BCADHN CC(=O)CN1CCN(C2CC2)C[C@H](C)C1 ZINC000639658061 356573599 /nfs/dbraw/zinc/57/35/99/356573599.db2.gz FJOYSTZOFMTZSL-SNVBAGLBSA-N 0 3 210.321 0.992 20 0 BCADHN C[C@@H](O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000336209469 134133829 /nfs/dbraw/zinc/13/38/29/134133829.db2.gz RPHGOTAZSIJFJH-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@@H]1CC(C)(C)CO1 ZINC000639672854 356589228 /nfs/dbraw/zinc/58/92/28/356589228.db2.gz KPZJMPVYZJAKFA-GARJFASQSA-N 0 3 229.320 0.805 20 0 BCADHN CN(C)CCN(C)C(=O)CC1(O)CCC1 ZINC000450025579 202067739 /nfs/dbraw/zinc/06/77/39/202067739.db2.gz SZLHGLVMYONNPZ-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN CCC[C@@H](OC)C(=O)N(C)CCN(C)C ZINC000450024126 202067811 /nfs/dbraw/zinc/06/78/11/202067811.db2.gz PENSHNHLYBYAIG-SNVBAGLBSA-N 0 3 216.325 0.822 20 0 BCADHN CCN1CCN(CC(C)(C)NCC(C)=O)CC1 ZINC000639667231 356574849 /nfs/dbraw/zinc/57/48/49/356574849.db2.gz DCMFQYFNXHDBRT-UHFFFAOYSA-N 0 3 241.379 0.581 20 0 BCADHN CC(C(=O)NC[C@H]1CC1(C)C)S(C)(=O)=O ZINC000352291100 134139194 /nfs/dbraw/zinc/13/91/94/134139194.db2.gz WMWKVDLBECTQHG-HTQZYQBOSA-N 0 3 233.333 0.582 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC000639662851 356576831 /nfs/dbraw/zinc/57/68/31/356576831.db2.gz HSBGOOWZAIWLQY-GMTAPVOTSA-N 0 3 229.320 0.493 20 0 BCADHN CN(C)C(=O)CN1CC[C@H](CCCO)C1 ZINC000639669750 356583673 /nfs/dbraw/zinc/58/36/73/356583673.db2.gz ZZIOFIOMEYJDJO-JTQLQIEISA-N 0 3 214.309 0.169 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@@H]1CCSC1 ZINC000422916910 192505849 /nfs/dbraw/zinc/50/58/49/192505849.db2.gz BXMWKKQBXDSEPZ-KXUCPTDWSA-N 0 3 244.360 0.375 20 0 BCADHN CC[C@@H](C)NC(=O)CCNC1CSC1 ZINC000379658934 538455902 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QGAJHZLNDNPZEW-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN CC(C)OCCN(C)[C@]1(CO)CCOC1 ZINC000359579774 134195856 /nfs/dbraw/zinc/19/58/56/134195856.db2.gz JVHPHAFNRHREAN-NSHDSACASA-N 0 3 217.309 0.495 20 0 BCADHN CC(C)CN(C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000378302131 357249331 /nfs/dbraw/zinc/24/93/31/357249331.db2.gz UFUOHKZOZQJBBY-LBPRGKRZSA-N 0 3 239.363 0.491 20 0 BCADHN CC[C@@H](N)C(=O)NCCN1CC=CCC1 ZINC000392877637 357260879 /nfs/dbraw/zinc/26/08/79/357260879.db2.gz MVEFROQSZZVHQU-SNVBAGLBSA-N 0 3 211.309 0.102 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000582725643 357373334 /nfs/dbraw/zinc/37/33/34/357373334.db2.gz UHAUPARETQGGGR-RKDXNWHRSA-N 0 3 241.335 0.239 20 0 BCADHN CN1CCC[C@H](CNC(=O)COC(F)F)C1 ZINC000582477899 357315968 /nfs/dbraw/zinc/31/59/68/357315968.db2.gz VNZNLEDDDHMYKK-MRVPVSSYSA-N 0 3 236.262 0.684 20 0 BCADHN Cc1cc(CC(=O)N[C@@H](C)CN(C)C)n(C)n1 ZINC000582547999 357332846 /nfs/dbraw/zinc/33/28/46/357332846.db2.gz HQPAVIJTYJFAQI-JTQLQIEISA-N 0 3 238.335 0.337 20 0 BCADHN CC(C)OCC[C@H](O)CNCc1ccncn1 ZINC000582541364 357340874 /nfs/dbraw/zinc/34/08/74/357340874.db2.gz ABCHEPQRBXAUFX-LBPRGKRZSA-N 0 3 239.319 0.742 20 0 BCADHN CC(C)OCC[C@@H](O)CNCc1ccncn1 ZINC000582541362 357340895 /nfs/dbraw/zinc/34/08/95/357340895.db2.gz ABCHEPQRBXAUFX-GFCCVEGCSA-N 0 3 239.319 0.742 20 0 BCADHN NC(=O)CCN[C@H](CCCO)c1ccccc1 ZINC000582542502 357341371 /nfs/dbraw/zinc/34/13/71/357341371.db2.gz YHDSBYKAEYIYNS-GFCCVEGCSA-N 0 3 236.315 0.965 20 0 BCADHN N[C@@H]1CCCc2cn(CC(=O)NC3CC3)nc21 ZINC000582601229 357347551 /nfs/dbraw/zinc/34/75/51/357347551.db2.gz VUDANKQBEGOQLF-SNVBAGLBSA-N 0 3 234.303 0.498 20 0 BCADHN CC(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000582736064 357376795 /nfs/dbraw/zinc/37/67/95/357376795.db2.gz RKFQNJZYROAONF-SRVKXCTJSA-N 0 3 242.363 0.802 20 0 BCADHN Cc1nc(CNC[C@]2(O)CCN(C)C2)[nH]c1C ZINC000582617870 357354362 /nfs/dbraw/zinc/35/43/62/357354362.db2.gz RGBCMGQNDSGDEW-GFCCVEGCSA-N 0 3 238.335 0.183 20 0 BCADHN CC[C@H](N)C(=O)N1CCc2nc(C)ncc2C1 ZINC000582663417 357357177 /nfs/dbraw/zinc/35/71/77/357357177.db2.gz PGPBHXUHGLUSTD-JTQLQIEISA-N 0 3 234.303 0.407 20 0 BCADHN COC[C@H](O)CCNCc1cnc(C)n1C ZINC000582676975 357357879 /nfs/dbraw/zinc/35/78/79/357357879.db2.gz JMFQAFWWWIVBQR-LLVKDONJSA-N 0 3 227.308 0.216 20 0 BCADHN C[C@H](CNCC1(CCO)CC1)S(C)(=O)=O ZINC000582666126 357358830 /nfs/dbraw/zinc/35/88/30/357358830.db2.gz IPCWWCOEZAFOIV-SECBINFHSA-N 0 3 235.349 0.172 20 0 BCADHN C[C@H](NC1CC1)C(=O)Nc1cncnc1 ZINC000394860889 357384208 /nfs/dbraw/zinc/38/42/08/357384208.db2.gz ACAAJDMLXFPJSF-ZETCQYMHSA-N 0 3 206.249 0.556 20 0 BCADHN CN(C)C[C@H]1COC2(CCCC2)CN1CCO ZINC000639905032 357385755 /nfs/dbraw/zinc/38/57/55/357385755.db2.gz WTCAOUXGQOBJSA-LBPRGKRZSA-N 0 3 242.363 0.554 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)Cc2ccco2)C1 ZINC000358066074 538837657 /nfs/dbraw/zinc/83/76/57/538837657.db2.gz MBHSFGYKKVSDQZ-GFCCVEGCSA-N 0 3 238.287 0.005 20 0 BCADHN C[C@H](O)CN[C@H]1CCN(Cc2ccccc2)C1=O ZINC000582780627 357390763 /nfs/dbraw/zinc/39/07/63/357390763.db2.gz YUYCNRLSXDXWNN-AAEUAGOBSA-N 0 3 248.326 0.758 20 0 BCADHN CN(C)[C@H]1CN(CCc2cscn2)C[C@@H]1O ZINC000582854022 357420308 /nfs/dbraw/zinc/42/03/08/357420308.db2.gz PLXPYOUDCQKPHA-QWRGUYRKSA-N 0 3 241.360 0.292 20 0 BCADHN C[C@H]1CCN(CC(=O)NC[C@@H](CO)C2CC2)C1 ZINC000583154005 357496175 /nfs/dbraw/zinc/49/61/75/357496175.db2.gz SAUFGVNPHFCKOY-JQWIXIFHSA-N 0 3 240.347 0.463 20 0 BCADHN CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1O ZINC000582974243 357448941 /nfs/dbraw/zinc/44/89/41/357448941.db2.gz WJJOHQQEWXVUDD-UTUOFQBUSA-N 0 3 240.347 0.558 20 0 BCADHN CN(C)CCCCC(=O)N1CCC(=O)CC1 ZINC000583075335 357472681 /nfs/dbraw/zinc/47/26/81/357472681.db2.gz IBLHKKWGQPUCLC-UHFFFAOYSA-N 0 3 226.320 0.910 20 0 BCADHN CC1(C)C[C@H](NCC(=O)NCC(F)F)CO1 ZINC000396902117 357486640 /nfs/dbraw/zinc/48/66/40/357486640.db2.gz XEUZXTMELVLKJK-ZETCQYMHSA-N 0 3 236.262 0.525 20 0 BCADHN COCCN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000583121851 357490098 /nfs/dbraw/zinc/49/00/98/357490098.db2.gz CGJMZGRABFUNOZ-SECBINFHSA-N 0 3 200.282 0.185 20 0 BCADHN CCOC[C@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188654884 357570112 /nfs/dbraw/zinc/57/01/12/357570112.db2.gz NCOORKJAFZCBJE-GARJFASQSA-N 0 3 244.310 0.571 20 0 BCADHN CCN(C)C(=O)CN[C@@H](CCO)C(C)(C)C ZINC000230893363 357578197 /nfs/dbraw/zinc/57/81/97/357578197.db2.gz PTPRVHZBABSEAY-JTQLQIEISA-N 0 3 230.352 0.851 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@@H](C)O[C@H]1C ZINC000633067683 357518768 /nfs/dbraw/zinc/51/87/68/357518768.db2.gz QNFCNRAJXZZSPG-VLEAKVRGSA-N 0 3 228.336 0.866 20 0 BCADHN CN1CC[C@H](N2CCC[C@@](C)(O)CC2)C1=O ZINC000230375465 357531411 /nfs/dbraw/zinc/53/14/11/357531411.db2.gz BZFUXRZYHONVQK-CMPLNLGQSA-N 0 3 226.320 0.454 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@](C)(O)CC1 ZINC000230379435 357531827 /nfs/dbraw/zinc/53/18/27/357531827.db2.gz UYZYXAQBYHAXMQ-LBPRGKRZSA-N 0 3 228.336 0.748 20 0 BCADHN Cc1cnccc1CCN1C[C@H](CO)[C@H](O)C1 ZINC000397526756 357537811 /nfs/dbraw/zinc/53/78/11/357537811.db2.gz IZVWGHATZCCEMT-CHWSQXEVSA-N 0 3 236.315 0.218 20 0 BCADHN CCc1cc(NCCc2nnc(C)[nH]2)nc(C)n1 ZINC000359710668 538857139 /nfs/dbraw/zinc/85/71/39/538857139.db2.gz YYBGFCSAZKCTIB-UHFFFAOYSA-N 0 3 246.318 0.850 20 0 BCADHN COC(=O)[C@@H](C)CN(C)CCc1ccnn1C ZINC000230886068 357577153 /nfs/dbraw/zinc/57/71/53/357577153.db2.gz JCSZMIFHRGCWHQ-JTQLQIEISA-N 0 3 239.319 0.704 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@H](COC)C1CC1 ZINC000188470385 357555309 /nfs/dbraw/zinc/55/53/09/357555309.db2.gz WKEKSPGTGBIGSK-MWLCHTKSSA-N 0 3 228.336 0.868 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@@H](COC)C1CC1 ZINC000188470369 357555649 /nfs/dbraw/zinc/55/56/49/357555649.db2.gz WKEKSPGTGBIGSK-ONGXEEELSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCO[C@H](CN(C)C)C2)O1 ZINC000188547336 357560240 /nfs/dbraw/zinc/56/02/40/357560240.db2.gz GURGXANNFALMMN-JHJVBQTASA-N 0 3 242.363 0.816 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@]1(C)C[C@H]2CC[C@@H]1O2 ZINC000188704114 357565061 /nfs/dbraw/zinc/56/50/61/357565061.db2.gz JGGDPKLNNLRTED-MDZLAQPJSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C)CCN(C)C(=O)[C@]1(C)C[C@H]2CC[C@@H]1O2 ZINC000188704135 357565143 /nfs/dbraw/zinc/56/51/43/357565143.db2.gz JGGDPKLNNLRTED-NTZNESFSSA-N 0 3 240.347 0.964 20 0 BCADHN CCN1CCC[C@H](NC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188738974 357566889 /nfs/dbraw/zinc/56/68/89/357566889.db2.gz KGBQYCMPHWLIKQ-GARJFASQSA-N 0 3 243.326 0.287 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H](C)C(=O)N(C)CC ZINC000231854933 357627042 /nfs/dbraw/zinc/62/70/42/357627042.db2.gz UKIJALPYGJOMKE-CABZTGNLSA-N 0 3 243.351 0.487 20 0 BCADHN COCCN(C)CCNCc1cncc(F)c1 ZINC000230939997 357582798 /nfs/dbraw/zinc/58/27/98/357582798.db2.gz PYHKEARZVNSEGJ-UHFFFAOYSA-N 0 3 241.310 0.889 20 0 BCADHN COCC[C@H](C)N1CCc2n[nH]c(=O)cc2C1 ZINC000360427985 538863605 /nfs/dbraw/zinc/86/36/05/538863605.db2.gz LIWGZPQKZKZEOV-VIFPVBQESA-N 0 3 237.303 0.965 20 0 BCADHN CSC[C@@H](O)CN1CCCC[C@]1(C)C(N)=O ZINC000188884359 357594869 /nfs/dbraw/zinc/59/48/69/357594869.db2.gz QQLLECYLCFMSNX-GXSJLCMTSA-N 0 3 246.376 0.440 20 0 BCADHN Cc1cc(NCCOCCN(C)C)ncn1 ZINC000231208204 357599780 /nfs/dbraw/zinc/59/97/80/357599780.db2.gz CAVRYIOWYQCPDH-UHFFFAOYSA-N 0 3 224.308 0.775 20 0 BCADHN CN(C)CCOCCNC(=O)N1CCCC1 ZINC000231206664 357599805 /nfs/dbraw/zinc/59/98/05/357599805.db2.gz IWRHQMQJAZVXES-UHFFFAOYSA-N 0 3 229.324 0.370 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N1CCN[C@H](C)C1 ZINC000189013073 357600360 /nfs/dbraw/zinc/60/03/60/357600360.db2.gz NEESTKJRWVTVKA-VXGBXAGGSA-N 0 3 239.363 0.681 20 0 BCADHN COC(=O)[C@@]1(C)CCN(CC(OC)OC)C1 ZINC000189084116 357604409 /nfs/dbraw/zinc/60/44/09/357604409.db2.gz ORAMMTSRJOYRGB-NSHDSACASA-N 0 3 231.292 0.490 20 0 BCADHN CCCNC(=O)NCCOCCN(C)C ZINC000231652166 357616553 /nfs/dbraw/zinc/61/65/53/357616553.db2.gz IWMGBIAIIIYLAQ-UHFFFAOYSA-N 0 3 217.313 0.274 20 0 BCADHN COC[C@H](CNCc1ccc(OC)nc1)OC ZINC000232168210 357652792 /nfs/dbraw/zinc/65/27/92/357652792.db2.gz PNSBHUXCVBJKOX-NSHDSACASA-N 0 3 240.303 0.841 20 0 BCADHN CCNC(=O)c1cc2n(n1)CCC[C@@H]2N ZINC000685947897 538889494 /nfs/dbraw/zinc/88/94/94/538889494.db2.gz SVWPRPMMKOAFDC-ZETCQYMHSA-N 0 3 208.265 0.426 20 0 BCADHN CC[C@]1(CO)CCCN1CC(=O)NC(C)C ZINC000189691377 357658018 /nfs/dbraw/zinc/65/80/18/357658018.db2.gz KGFDWSBMOMHFCL-GFCCVEGCSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCCCC2)[C@@H]1CO ZINC000189733109 357665407 /nfs/dbraw/zinc/66/54/07/357665407.db2.gz RGPGVYBSHPCNJQ-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@H](C)[C@@H]1CO ZINC000189733293 357666063 /nfs/dbraw/zinc/66/60/63/357666063.db2.gz UCMAHRKPMAGXGK-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000232630984 357669757 /nfs/dbraw/zinc/66/97/57/357669757.db2.gz QDNWUZVMYHVXKT-ZYHUDNBSSA-N 0 3 226.320 0.668 20 0 BCADHN CCCN(C)CC(=O)N1CCN(C(C)=O)CC1 ZINC000063761727 357716929 /nfs/dbraw/zinc/71/69/29/357716929.db2.gz BUMPRXQUDVYSRV-UHFFFAOYSA-N 0 3 241.335 0.019 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCCOCC1CCC1 ZINC000583253730 357723258 /nfs/dbraw/zinc/72/32/58/357723258.db2.gz MMLUWJJUOQBNSW-CMPLNLGQSA-N 0 3 240.347 0.917 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000233445759 357724003 /nfs/dbraw/zinc/72/40/03/357724003.db2.gz SDWWORBAEOSSTI-PWSUYJOCSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@H]1CC[C@H](NC(=O)NCCN(C)C)C1 ZINC000190360959 357703026 /nfs/dbraw/zinc/70/30/26/357703026.db2.gz CGRBRTPFYQTJPP-UWVGGRQHSA-N 0 3 229.324 0.415 20 0 BCADHN C[C@@H]1CN(C(=O)N2CCOCC2)[C@H](C)CN1 ZINC000085963579 357706369 /nfs/dbraw/zinc/70/63/69/357706369.db2.gz CYAYZNDRLUYECC-NXEZZACHSA-N 0 3 227.308 0.121 20 0 BCADHN CNC(=O)[C@H]1CCCN1C[C@@H]1CC[C@@H](C)O1 ZINC000190427118 357707276 /nfs/dbraw/zinc/70/72/76/357707276.db2.gz FBRZVWYJVLWWNQ-OUAUKWLOSA-N 0 3 226.320 0.764 20 0 BCADHN CN(C)CCN1CCN(C(=O)C2CCC2)CC1 ZINC000055197236 363587326 /nfs/dbraw/zinc/58/73/26/363587326.db2.gz CEHQDQMOQZBANJ-UHFFFAOYSA-N 0 3 239.363 0.492 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CC[C@H](O)C1)N(C)C ZINC000191181690 357739894 /nfs/dbraw/zinc/73/98/94/357739894.db2.gz BBGJXSMIJLDJDD-OUAUKWLOSA-N 0 3 228.336 0.604 20 0 BCADHN Cn1cc(NC(=O)N2CCN3CCC2CC3)cn1 ZINC000191067326 357746416 /nfs/dbraw/zinc/74/64/16/357746416.db2.gz WGUVOLVPHMWASG-UHFFFAOYSA-N 0 3 249.318 0.732 20 0 BCADHN CO[C@H](C)CNCc1cccc(C(N)=O)c1 ZINC000191208482 357758246 /nfs/dbraw/zinc/75/82/46/357758246.db2.gz WKAHGCQWXYENFT-SECBINFHSA-N 0 3 222.288 0.910 20 0 BCADHN COC(=O)[C@H]1CCN(CCO)C[C@@H]1C ZINC000191821154 357799605 /nfs/dbraw/zinc/79/96/05/357799605.db2.gz MLKNHILIPJGDFM-IUCAKERBSA-N 0 3 201.266 0.110 20 0 BCADHN COC(=O)[C@H](C1CC1)N1CC[C@@](C)(C(N)=O)C1 ZINC000234559846 357811632 /nfs/dbraw/zinc/81/16/32/357811632.db2.gz KDNYJEQNBCSXAW-JOYOIKCWSA-N 0 3 240.303 0.135 20 0 BCADHN NC(=O)NC(=O)CN1C2CCCC1CCC2 ZINC000610369975 357812300 /nfs/dbraw/zinc/81/23/00/357812300.db2.gz IHVSBPZSVABKFW-UHFFFAOYSA-N 0 3 225.292 0.588 20 0 BCADHN CN(C)C[C@H]1CN(Cc2ncccn2)CCO1 ZINC000192010227 357813979 /nfs/dbraw/zinc/81/39/79/357813979.db2.gz LFHISWNFAYJMQS-NSHDSACASA-N 0 3 236.319 0.239 20 0 BCADHN CC[C@H](C)C(=O)N1CCN(CCN(C)C)CC1 ZINC000055293361 363588970 /nfs/dbraw/zinc/58/89/70/363588970.db2.gz OLTJSQZMULCVJX-LBPRGKRZSA-N 0 3 241.379 0.738 20 0 BCADHN CCC[C@@H](CCO)N[C@@H](C)CS(C)(=O)=O ZINC000631667676 357789449 /nfs/dbraw/zinc/78/94/49/357789449.db2.gz FQKLFRKJSMXFET-UWVGGRQHSA-N 0 3 237.365 0.560 20 0 BCADHN COCCNCC(=O)N(CC(C)C)C1CC1 ZINC000086158028 357861873 /nfs/dbraw/zinc/86/18/73/357861873.db2.gz RWCYSZKZSCTXPQ-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN CO[C@H]1C[C@@H](NCC(=O)NC(C)C)C1(C)C ZINC000234774631 357828269 /nfs/dbraw/zinc/82/82/69/357828269.db2.gz RUDIDJJNABZJJV-ZJUUUORDSA-N 0 3 228.336 0.914 20 0 BCADHN Cc1ocnc1CNC[C@H](O)CN(C)C1CC1 ZINC000398032592 357829984 /nfs/dbraw/zinc/82/99/84/357829984.db2.gz QOTYBUWGZDRUNB-NSHDSACASA-N 0 3 239.319 0.528 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN1CCSCC1 ZINC000234821644 357832444 /nfs/dbraw/zinc/83/24/44/357832444.db2.gz DQNHFEHPHBXKIR-WDEREUQCSA-N 0 3 249.376 0.448 20 0 BCADHN CCCC[N@@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192643747 357842023 /nfs/dbraw/zinc/84/20/23/357842023.db2.gz BAGNYGOFDCYZHM-LLVKDONJSA-N 0 3 225.292 0.461 20 0 BCADHN CCCC[N@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192643747 357842025 /nfs/dbraw/zinc/84/20/25/357842025.db2.gz BAGNYGOFDCYZHM-LLVKDONJSA-N 0 3 225.292 0.461 20 0 BCADHN COCCNCC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000086157941 357861763 /nfs/dbraw/zinc/86/17/63/357861763.db2.gz MPXUPADPOOXHDP-QWRGUYRKSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@@]1(CO)CCCN1CCN1CCCC1=O ZINC000546104483 325265272 /nfs/dbraw/zinc/26/52/72/325265272.db2.gz OTDRMCOSKIDMEF-LBPRGKRZSA-N 0 3 226.320 0.456 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N(C)CC(C)(C)O ZINC000086274415 357878865 /nfs/dbraw/zinc/87/88/65/357878865.db2.gz SGUXLFGUVGGAPQ-VHSXEESVSA-N 0 3 230.352 0.992 20 0 BCADHN COCC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000055401172 363591512 /nfs/dbraw/zinc/59/15/12/363591512.db2.gz SNKDTYHCXFZXPA-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN N[C@@H](C(=O)NCc1ccccn1)C1CCC1 ZINC000398989028 357892878 /nfs/dbraw/zinc/89/28/78/357892878.db2.gz KBHJSXWRGOMCHA-LLVKDONJSA-N 0 3 219.288 0.825 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H](N)C2CCC2)CCO1 ZINC000399012706 357893934 /nfs/dbraw/zinc/89/39/34/357893934.db2.gz ZAMKMHZZVHCNRO-FBIMIBRVSA-N 0 3 226.320 0.798 20 0 BCADHN COCCNCC(=O)NCC1(C)CCCC1 ZINC000086158304 357863513 /nfs/dbraw/zinc/86/35/13/357863513.db2.gz NZJIGPFMFHAETE-UHFFFAOYSA-N 0 3 228.336 0.919 20 0 BCADHN C[C@H](Cn1ccnc1)NC(=O)[C@H](N)C1CCC1 ZINC000399178942 357897610 /nfs/dbraw/zinc/89/76/10/357897610.db2.gz KWJLSBGCXWXDNJ-MWLCHTKSSA-N 0 3 236.319 0.515 20 0 BCADHN CSCCN(C)C(=O)[C@@H](N)C1CCC1 ZINC000399224600 357898898 /nfs/dbraw/zinc/89/88/98/357898898.db2.gz MGFUWDBNZSBLOT-VIFPVBQESA-N 0 3 216.350 0.935 20 0 BCADHN COCCCCNC(=O)[C@@H](N)C1CCC1 ZINC000399253485 357899308 /nfs/dbraw/zinc/89/93/08/357899308.db2.gz YRWFYNYZIBYTTO-JTQLQIEISA-N 0 3 214.309 0.657 20 0 BCADHN C[C@H]1CN(C)CCN1Cc1ccnc(N)c1 ZINC000235604956 357929020 /nfs/dbraw/zinc/92/90/20/357929020.db2.gz HHGXZQHPLPKGOL-JTQLQIEISA-N 0 3 220.320 0.800 20 0 BCADHN C[C@@H](O)CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639930812 357913002 /nfs/dbraw/zinc/91/30/02/357913002.db2.gz GKBHPSRVXXDWMW-RAIGVLPGSA-N 0 3 237.299 0.491 20 0 BCADHN C[C@H](O)CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639930811 357913106 /nfs/dbraw/zinc/91/31/06/357913106.db2.gz GKBHPSRVXXDWMW-CYZMBNFOSA-N 0 3 237.299 0.491 20 0 BCADHN CNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000102803598 357921598 /nfs/dbraw/zinc/92/15/98/357921598.db2.gz GADSICNOXSTWLZ-UHFFFAOYSA-N 0 3 211.269 0.196 20 0 BCADHN CCOC[C@H](O)CN1CC[C@@H](O)C[C@H]1C ZINC000639942016 357962066 /nfs/dbraw/zinc/96/20/66/357962066.db2.gz UGVTYFIYWIMIPI-GMTAPVOTSA-N 0 3 217.309 0.229 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H](C)C[C@H]1CO ZINC000639935476 357935948 /nfs/dbraw/zinc/93/59/48/357935948.db2.gz CFBLYCWPLHEYPX-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H]1CCN(CC(=O)NCC2(N(C)C)CC2)C1 ZINC000583762643 357938624 /nfs/dbraw/zinc/93/86/24/357938624.db2.gz ASPHKOFVCWPSLN-NSHDSACASA-N 0 3 239.363 0.539 20 0 BCADHN CC(C)OC[C@H](O)CN1CC[C@@H](O)C[C@H]1C ZINC000639939677 357948951 /nfs/dbraw/zinc/94/89/51/357948951.db2.gz OSMUFNBAELRGBS-IJLUTSLNSA-N 0 3 231.336 0.618 20 0 BCADHN CC[C@@H](O)CCNC[C@H](O)C(F)(F)F ZINC000218809226 357968122 /nfs/dbraw/zinc/96/81/22/357968122.db2.gz NSUDJRUBRXYENT-RQJHMYQMSA-N 0 3 215.215 0.660 20 0 BCADHN C[C@]12CN(Cc3ccno3)C[C@]1(C)C(=O)NC2=O ZINC000639948974 357972086 /nfs/dbraw/zinc/97/20/86/357972086.db2.gz JWCOBICSMCEGIB-VXGBXAGGSA-N 0 3 249.270 0.159 20 0 BCADHN COC[C@](C)(CO)NCCc1ccncc1 ZINC000639952094 357975114 /nfs/dbraw/zinc/97/51/14/357975114.db2.gz NJSNMCRVIGDYMB-LBPRGKRZSA-N 0 3 224.304 0.611 20 0 BCADHN COC[C@](C)(CO)NC[C@@H](O)COCC(C)C ZINC000639953526 357975766 /nfs/dbraw/zinc/97/57/66/357975766.db2.gz YCEURRABYSTKEP-NEPJUHHUSA-N 0 3 249.351 0.007 20 0 BCADHN COC[C@@](C)(CO)NCc1cncc(C)c1 ZINC000639956003 357978024 /nfs/dbraw/zinc/97/80/24/357978024.db2.gz ALGLBOYYPVQSIV-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN COC[C@](C)(CO)NCCCc1nc(C)no1 ZINC000639955904 357978407 /nfs/dbraw/zinc/97/84/07/357978407.db2.gz AKRSRMONKDIEQT-NSHDSACASA-N 0 3 243.307 0.298 20 0 BCADHN COC[C@](C)(CO)NCCOC1CCC1 ZINC000639956072 357978422 /nfs/dbraw/zinc/97/84/22/357978422.db2.gz CQPFUBZNOQLLKT-NSHDSACASA-N 0 3 217.309 0.543 20 0 BCADHN CCn1nccc1CCN[C@@](C)(CO)COC ZINC000639956295 357979305 /nfs/dbraw/zinc/97/93/05/357979305.db2.gz DYLUPMFTBOOHGH-LBPRGKRZSA-N 0 3 241.335 0.433 20 0 BCADHN COC[C@](C)(CO)NC[C@@H](O)C1CCCCC1 ZINC000639956949 357981175 /nfs/dbraw/zinc/98/11/75/357981175.db2.gz HCASLVDBJMBBOA-OLZOCXBDSA-N 0 3 245.363 0.915 20 0 BCADHN COC[C@](C)(CO)NCCc1cncs1 ZINC000639957197 357981237 /nfs/dbraw/zinc/98/12/37/357981237.db2.gz KYESASOYBQXHQZ-JTQLQIEISA-N 0 3 230.333 0.673 20 0 BCADHN COC[C@@](C)(CO)NC[C@@H](OC)C1CCC1 ZINC000639957409 357981814 /nfs/dbraw/zinc/98/18/14/357981814.db2.gz NXSSRRZTTBIVOA-VXGBXAGGSA-N 0 3 231.336 0.789 20 0 BCADHN COC[C@](C)(CO)NCCn1cc(Cl)cn1 ZINC000639958805 357983500 /nfs/dbraw/zinc/98/35/00/357983500.db2.gz VJZUBCCHLCKJRA-JTQLQIEISA-N 0 3 247.726 0.524 20 0 BCADHN COC[C@](C)(CO)NCCc1scnc1C ZINC000639955033 357987219 /nfs/dbraw/zinc/98/72/19/357987219.db2.gz JKVOFMPDPMYSRV-NSHDSACASA-N 0 3 244.360 0.981 20 0 BCADHN COC[C@](C)(CO)NCCn1cc(C)cn1 ZINC000639955165 357987306 /nfs/dbraw/zinc/98/73/06/357987306.db2.gz KGGZBPVXGRZOND-NSHDSACASA-N 0 3 227.308 0.179 20 0 BCADHN CC[C@@H](N)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000584470844 357989909 /nfs/dbraw/zinc/98/99/09/357989909.db2.gz MDRRNVSNOAGFEW-AEJSXWLSSA-N 0 3 214.309 0.343 20 0 BCADHN Cc1ccnc([C@H]2CCN([C@H]3COC[C@H]3O)C2)c1 ZINC000584477995 357995838 /nfs/dbraw/zinc/99/58/38/357995838.db2.gz DFZJBVWPGKNPQY-FPMFFAJLSA-N 0 3 248.326 0.939 20 0 BCADHN Cc1ccnc([C@H]2CCN([C@@H]3COC[C@H]3O)C2)c1 ZINC000584477996 357995905 /nfs/dbraw/zinc/99/59/05/357995905.db2.gz DFZJBVWPGKNPQY-IACUBPJLSA-N 0 3 248.326 0.939 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N(CCN(C)C)CCN(C)C ZINC000103211792 358012838 /nfs/dbraw/zinc/01/28/38/358012838.db2.gz ZFXMCWKMKBOGJH-NEPJUHHUSA-N 0 3 241.379 0.594 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N(CCN(C)C)CCN(C)C ZINC000103211796 358013331 /nfs/dbraw/zinc/01/33/31/358013331.db2.gz ZFXMCWKMKBOGJH-VXGBXAGGSA-N 0 3 241.379 0.594 20 0 BCADHN CCS(=O)(=O)NC[C@@H](C)N1CCCC1 ZINC000036077169 358014487 /nfs/dbraw/zinc/01/44/87/358014487.db2.gz JHZQLHINJQCXBV-SECBINFHSA-N 0 3 220.338 0.410 20 0 BCADHN CO[C@H]1CN(CCn2ccnc2)[C@@](C)(CO)C1 ZINC000639997789 358034611 /nfs/dbraw/zinc/03/46/11/358034611.db2.gz BUUREVUSDVOJEF-VXGBXAGGSA-N 0 3 239.319 0.355 20 0 BCADHN CO[C@@H]1CN(CCOC(C)C)[C@@](C)(CO)C1 ZINC000639997243 358034648 /nfs/dbraw/zinc/03/46/48/358034648.db2.gz IXIDFGRWSZWACL-NWDGAFQWSA-N 0 3 231.336 0.883 20 0 BCADHN CC(C)OC(=O)CCN1CC[C@@H](O)C1 ZINC000075715826 325307102 /nfs/dbraw/zinc/30/71/02/325307102.db2.gz RKNXLDFZGMEZKV-SECBINFHSA-N 0 3 201.266 0.395 20 0 BCADHN CCN1OC[C@H](N(C)Cc2cn[nH]c2C)C1=O ZINC000639970787 358023966 /nfs/dbraw/zinc/02/39/66/358023966.db2.gz KPVVFFDSVMIMIW-JTQLQIEISA-N 0 3 238.291 0.312 20 0 BCADHN Cc1nnc(N2CCN(C[C@@H]3C[C@H]3C)CC2)n1C ZINC000639975546 358032697 /nfs/dbraw/zinc/03/26/97/358032697.db2.gz FYMHUNLQLBLVOP-PWSUYJOCSA-N 0 3 249.362 0.902 20 0 BCADHN NCC1(C(=O)N[C@@H]2CC[S@](=O)C2)CCCC1 ZINC000584527946 358040995 /nfs/dbraw/zinc/04/09/95/358040995.db2.gz QNXSDUJWCHOUNK-ABKXIKBNSA-N 0 3 244.360 0.143 20 0 BCADHN CC[C@H](O)CCNC[C@H](C)S(C)(=O)=O ZINC000584530111 358042065 /nfs/dbraw/zinc/04/20/65/358042065.db2.gz LZHMKYFIFPBYDB-IUCAKERBSA-N 0 3 223.338 0.170 20 0 BCADHN CC[C@H](C(=O)N1C[C@H]2COC[C@@]2(C)C1)N(C)C ZINC000618707174 358044114 /nfs/dbraw/zinc/04/41/14/358044114.db2.gz LQNUVDBGQZEXNQ-DMDPSCGWSA-N 0 3 240.347 0.822 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCC2CCOCC2)C1 ZINC000584538146 358048260 /nfs/dbraw/zinc/04/82/60/358048260.db2.gz HUYWHQDKAYZEGZ-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN C[C@H](N[C@H]1CCSC1)C(=O)N(C)C ZINC000036794032 358052961 /nfs/dbraw/zinc/05/29/61/358052961.db2.gz HVKUBEPZWBXDMJ-YUMQZZPRSA-N 0 3 202.323 0.558 20 0 BCADHN CC(C)COCCCNC(=O)CNC1CC1 ZINC000037476930 358071439 /nfs/dbraw/zinc/07/14/39/358071439.db2.gz BKXAUYSVQOCEKM-UHFFFAOYSA-N 0 3 228.336 0.917 20 0 BCADHN CCNC(=O)c1cccc(NC(=O)[C@H](C)N)c1 ZINC000037014863 358063763 /nfs/dbraw/zinc/06/37/63/358063763.db2.gz XWAUSJRJROYJSY-QMMMGPOBSA-N 0 3 235.287 0.722 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)Cn1ccnc1 ZINC000036999450 358063786 /nfs/dbraw/zinc/06/37/86/358063786.db2.gz CEUWCCDKYXCEHR-RKDXNWHRSA-N 0 3 210.281 0.125 20 0 BCADHN COc1ccc(CN(C)C)cc1NC(=O)CN ZINC000037018561 358064288 /nfs/dbraw/zinc/06/42/88/358064288.db2.gz FPCDWXCEKQZWGB-UHFFFAOYSA-N 0 3 237.303 0.654 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000037018251 358064494 /nfs/dbraw/zinc/06/44/94/358064494.db2.gz SVWDEWKXRSVUHO-DTWKUNHWSA-N 0 3 247.302 0.644 20 0 BCADHN C[C@H](NC(=O)NCCN(C)C)[C@H]1CCOC1 ZINC000133757683 325316277 /nfs/dbraw/zinc/31/62/77/325316277.db2.gz BGYXABUUUIOQPC-UWVGGRQHSA-N 0 3 229.324 0.272 20 0 BCADHN CNCC(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC000037045181 358065438 /nfs/dbraw/zinc/06/54/38/358065438.db2.gz GKFANUDAOOQANP-UHFFFAOYSA-N 0 3 246.274 0.129 20 0 BCADHN COC[C@@H](O)CNCc1cncn1C(C)C ZINC000085188352 134248138 /nfs/dbraw/zinc/24/81/38/134248138.db2.gz IPYGMROXMHMIDI-NSHDSACASA-N 0 3 227.308 0.561 20 0 BCADHN COC[C@H](O)CNCc1cncn1C(C)C ZINC000085188354 134248161 /nfs/dbraw/zinc/24/81/61/134248161.db2.gz IPYGMROXMHMIDI-LLVKDONJSA-N 0 3 227.308 0.561 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000169809073 134251833 /nfs/dbraw/zinc/25/18/33/134251833.db2.gz HGPFPQFQUCLDOE-RKDXNWHRSA-N 0 3 222.292 0.463 20 0 BCADHN C[C@@H](N)C(=O)NCCc1ccccc1O ZINC000169809110 134251849 /nfs/dbraw/zinc/25/18/49/134251849.db2.gz ACCKWACBNHHCEI-MRVPVSSYSA-N 0 3 208.261 0.398 20 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ZINC000037826419 358095403 /nfs/dbraw/zinc/09/54/03/358095403.db2.gz ZRSXELUNPRTCAI-JTQLQIEISA-N 0 3 238.331 0.766 20 0 BCADHN Cc1ccc(C(=O)NCCNCCC(N)=O)cc1 ZINC000037902888 358097446 /nfs/dbraw/zinc/09/74/46/358097446.db2.gz BDSQMAJCJVTFOV-UHFFFAOYSA-N 0 3 249.314 0.190 20 0 BCADHN CC(C)N(C)CC(=O)N1CCCO[C@H](C)C1 ZINC000171009492 134254535 /nfs/dbraw/zinc/25/45/35/134254535.db2.gz DIYRINMMFXLQHB-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CN(C(=O)CN1CCC[C@H](CCO)C1)C1CC1 ZINC000051916269 358100248 /nfs/dbraw/zinc/10/02/48/358100248.db2.gz WKQBJQBUWFGIBB-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN O=C(CN1CCC[C@@H](CCO)C1)N1CCC1 ZINC000051917173 358100461 /nfs/dbraw/zinc/10/04/61/358100461.db2.gz OLOPQMMHXNZRPT-NSHDSACASA-N 0 3 226.320 0.313 20 0 BCADHN C[C@@H]1CN(CCN2CCCC2=O)CCCO1 ZINC000170766215 134253524 /nfs/dbraw/zinc/25/35/24/134253524.db2.gz WDVZDSXXWKDLEW-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN CC[C@@H](N)C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000037826416 358094870 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/nfs/dbraw/zinc/55/42/00/359554200.db2.gz SYSZDPMDGVGCIL-MRVPVSSYSA-N 0 3 233.333 0.396 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N1CC[C@](C)(O)C1 ZINC000332949842 359527730 /nfs/dbraw/zinc/52/77/30/359527730.db2.gz HVTFTNHSWIRTKY-JQWIXIFHSA-N 0 3 241.335 0.247 20 0 BCADHN COC[C@H](C)CN1C[C@H](CO)O[C@@H](C)C1 ZINC000191533543 359572910 /nfs/dbraw/zinc/57/29/10/359572910.db2.gz NIEQIJQMDHQCLU-OUAUKWLOSA-N 0 3 217.309 0.351 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)[C@@H](N)C(C)C ZINC000423759551 192830206 /nfs/dbraw/zinc/83/02/06/192830206.db2.gz IBQPOYHRMVVWEP-AEJSXWLSSA-N 0 3 244.335 0.674 20 0 BCADHN C[C@@]1(C(=O)NCc2ncccc2[O-])CCC[NH2+]C1 ZINC000423760878 192830482 /nfs/dbraw/zinc/83/04/82/192830482.db2.gz QWWKGKQZHMVVBC-CYBMUJFWSA-N 0 3 249.314 0.793 20 0 BCADHN CN(C(=O)[C@H]1C[C@H](F)CN1)[C@@H]1CC1(C)C ZINC000423779767 192835028 /nfs/dbraw/zinc/83/50/28/192835028.db2.gz VEAZJXYHTIHREN-DJLDLDEBSA-N 0 3 214.284 0.943 20 0 BCADHN Cc1nccc(N2C[C@H]3CCN(C)[C@H]3C2)n1 ZINC000450777527 202264555 /nfs/dbraw/zinc/26/45/55/202264555.db2.gz JYVQKERRDQAJCN-MNOVXSKESA-N 0 3 218.304 0.925 20 0 BCADHN CCCCO[C@@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000423997193 192852941 /nfs/dbraw/zinc/85/29/41/192852941.db2.gz XUUPCQOGHIMWDY-QWRGUYRKSA-N 0 3 244.335 0.296 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)C(N)C(F)(F)F)C1 ZINC000423864901 192841719 /nfs/dbraw/zinc/84/17/19/192841719.db2.gz JTMOPCFSOSDGJU-XVMARJQXSA-N 0 3 240.225 0.560 20 0 BCADHN COCCNCC(=O)N1CCCC[C@H](C)C1 ZINC000423889254 192843976 /nfs/dbraw/zinc/84/39/76/192843976.db2.gz VOAVWDYWGUQHKD-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN CNCC(=O)NCCCNc1cccc(F)c1 ZINC000423885616 192844582 /nfs/dbraw/zinc/84/45/82/192844582.db2.gz UDARWYNCMFANHF-UHFFFAOYSA-N 0 3 239.294 0.963 20 0 BCADHN CCO[C@@H]1C[C@H](NC(=O)[C@@H](N)C(C)C)[C@H]1OC ZINC000423907335 192845467 /nfs/dbraw/zinc/84/54/67/192845467.db2.gz XWQUKUWCHACUET-ZRUFSTJUSA-N 0 3 244.335 0.278 20 0 BCADHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)CN ZINC000423911202 192845919 /nfs/dbraw/zinc/84/59/19/192845919.db2.gz VHVFQOWVIRRSOQ-VHSXEESVSA-N 0 3 228.336 0.997 20 0 BCADHN O[C@@H]1COCC[C@H]1NCc1cccnc1 ZINC000623764633 359624877 /nfs/dbraw/zinc/62/48/77/359624877.db2.gz IALJQWTXKHWOGG-GHMZBOCLSA-N 0 3 208.261 0.321 20 0 BCADHN COC1CCN(CCNC(=O)CCCF)CC1 ZINC000612058082 359627801 /nfs/dbraw/zinc/62/78/01/359627801.db2.gz WFZUZRCKUJXFFN-UHFFFAOYSA-N 0 3 246.326 0.963 20 0 BCADHN C[C@@H](CCCCO)NCc1ncnn1C ZINC000309016073 491142391 /nfs/dbraw/zinc/14/23/91/491142391.db2.gz UOCPQYKNHMXDIP-VIFPVBQESA-N 0 3 212.297 0.456 20 0 BCADHN Cc1cccc(CCN(CCO)C[C@@H](C)O)n1 ZINC000399740091 359652915 /nfs/dbraw/zinc/65/29/15/359652915.db2.gz XEEJOAUGXMVNHM-GFCCVEGCSA-N 0 3 238.331 0.608 20 0 BCADHN Cc1c(CNCCNC(=O)C2CC2)cnn1C ZINC000132948199 491143454 /nfs/dbraw/zinc/14/34/54/491143454.db2.gz GHVFZTIPZPBBHU-UHFFFAOYSA-N 0 3 236.319 0.344 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@H](O)C2CCC2)CCCN1C ZINC000450785857 202267009 /nfs/dbraw/zinc/26/70/09/202267009.db2.gz BCSHUDCHPVCZLD-USWWRNFRSA-N 0 3 240.347 0.746 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@](C)(O)C(C)=O)[C@H]1C ZINC000450829029 202277382 /nfs/dbraw/zinc/27/73/82/202277382.db2.gz NDUGAEZFGPJOEN-XRNSZHNASA-N 0 3 243.303 0.210 20 0 BCADHN CCC[C@H](O)CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000450834133 202281972 /nfs/dbraw/zinc/28/19/72/202281972.db2.gz XSLIFOGRKOSTJR-NNYUYHANSA-N 0 3 240.347 0.733 20 0 BCADHN COCCOC[C@@H](O)CN1CCC=C(C)C1 ZINC000450905534 202303099 /nfs/dbraw/zinc/30/30/99/202303099.db2.gz CYORKLOUURKQLJ-LBPRGKRZSA-N 0 3 229.320 0.662 20 0 BCADHN Cc1c[nH]nc1CN[C@H](CO)CC1CC1 ZINC000309086625 491144307 /nfs/dbraw/zinc/14/43/07/491144307.db2.gz YJNJOYUHXZJMTQ-JTQLQIEISA-N 0 3 209.293 0.969 20 0 BCADHN C[C@H](O)CCN(C)CCN1CCOC(C)(C)C1 ZINC000450876026 202295990 /nfs/dbraw/zinc/29/59/90/202295990.db2.gz IOPNJIFWPRUAFR-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN COCCN(CC[C@@H](C)O)[C@@H]1CCOC1 ZINC000450876899 202296367 /nfs/dbraw/zinc/29/63/67/202296367.db2.gz PTQDJCCVENEOCZ-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN CO[C@H](C)C[NH+]1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450917598 202309198 /nfs/dbraw/zinc/30/91/98/202309198.db2.gz DTRFZWNUWAQUKL-MRVPVSSYSA-N 0 3 241.291 0.990 20 0 BCADHN CC(C)OC[C@H](O)CN(C)[C@H]1CCCOC1 ZINC000352194723 366550417 /nfs/dbraw/zinc/55/04/17/366550417.db2.gz LJACQBVOKPLRHF-NWDGAFQWSA-N 0 3 231.336 0.883 20 0 BCADHN COC[C@@H]1CN(CC[C@H](C)O)CC(C)(C)O1 ZINC000450943226 202317213 /nfs/dbraw/zinc/31/72/13/202317213.db2.gz QIWHDUHMLVRSPL-QWRGUYRKSA-N 0 3 231.336 0.883 20 0 BCADHN CN1CCC[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC000578409612 366558472 /nfs/dbraw/zinc/55/84/72/366558472.db2.gz HFGXENREWIOYHJ-NSHDSACASA-N 0 3 236.319 0.341 20 0 BCADHN CN1CCC[C@@H](CNC(=O)C(C)(C)CO)C1 ZINC000578413526 366561711 /nfs/dbraw/zinc/56/17/11/366561711.db2.gz PDSYCOXEHUILOX-JTQLQIEISA-N 0 3 228.336 0.463 20 0 BCADHN CCN1CCN(CC2(C(=O)OC)CC2)[C@H](C)C1 ZINC000450981820 202324022 /nfs/dbraw/zinc/32/40/22/202324022.db2.gz RBGLNXSKLLZLSS-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CC(=O)[C@](C)(O)CN(CCO)CC1CC1 ZINC000450978403 202324860 /nfs/dbraw/zinc/32/48/60/202324860.db2.gz LTKVXDVVIBJAIU-LLVKDONJSA-N 0 3 215.293 0.031 20 0 BCADHN CNC(=O)CCCN[C@H](CCO)c1ccco1 ZINC000578450876 366572457 /nfs/dbraw/zinc/57/24/57/366572457.db2.gz NNCBJHDWAPTTKT-SNVBAGLBSA-N 0 3 240.303 0.819 20 0 BCADHN CO[C@@H](C)CN(C)C[C@@](C)(O)C(C)=O ZINC000450994089 202330606 /nfs/dbraw/zinc/33/06/06/202330606.db2.gz XVPAEFYVEXLGPE-WCBMZHEXSA-N 0 3 203.282 0.293 20 0 BCADHN C[C@H](O)CN[C@@H](C)C(=O)N1Cc2ccccc2C1 ZINC000578500047 366579999 /nfs/dbraw/zinc/57/99/99/366579999.db2.gz JQLAYURFALUTGX-QWRGUYRKSA-N 0 3 248.326 0.888 20 0 BCADHN COC(=O)[C@@H](C)N1CCN(C2CC2)C[C@H](C)C1 ZINC000451079076 202349342 /nfs/dbraw/zinc/34/93/42/202349342.db2.gz HVEONGSJVSHQTF-GHMZBOCLSA-N 0 3 240.347 0.964 20 0 BCADHN COC(=O)[C@H](C)N1CCN(C2CC2)C[C@H](C)C1 ZINC000451079077 202350016 /nfs/dbraw/zinc/35/00/16/202350016.db2.gz HVEONGSJVSHQTF-MNOVXSKESA-N 0 3 240.347 0.964 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CC=CCC1 ZINC000613862911 363671331 /nfs/dbraw/zinc/67/13/31/363671331.db2.gz VJNVHQKSBRAGGM-LLVKDONJSA-N 0 3 213.277 0.562 20 0 BCADHN CCC[C@@H](O)CN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000451142177 202365054 /nfs/dbraw/zinc/36/50/54/202365054.db2.gz VUPDRWKCWGBRNR-AGIUHOORSA-N 0 3 242.363 0.552 20 0 BCADHN CSCCN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000451139939 202365063 /nfs/dbraw/zinc/36/50/63/202365063.db2.gz FIZDTCYLFVEYBH-QWRGUYRKSA-N 0 3 230.377 0.754 20 0 BCADHN CN(C[C@@H]1CCCO1)[C@H]1CCN2CCO[C@H]1C2 ZINC000451148560 202365821 /nfs/dbraw/zinc/36/58/21/202365821.db2.gz PFRWRXRZKOTXII-AVGNSLFASA-N 0 3 240.347 0.570 20 0 BCADHN CN(C[C@@H](O)C(C)(C)C)C(C)(C)C(N)=O ZINC000451137464 202362982 /nfs/dbraw/zinc/36/29/82/202362982.db2.gz URKOPSNTFJVEPM-MRVPVSSYSA-N 0 3 216.325 0.589 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CCCN(C)C2=O)[C@@H](C)O1 ZINC000451131073 202363874 /nfs/dbraw/zinc/36/38/74/202363874.db2.gz RSGHRJKGGRLYHC-DBIOUOCHSA-N 0 3 226.320 0.763 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN[C@H]1CCOC1(C)C ZINC000451244294 202386118 /nfs/dbraw/zinc/38/61/18/202386118.db2.gz QXDSEDBELKFSMC-CABZTGNLSA-N 0 3 245.319 0.458 20 0 BCADHN CN(CCN1CCCOCC1)CC(C)(C)CO ZINC000451252279 202386360 /nfs/dbraw/zinc/38/63/60/202386360.db2.gz KAXYFTZDXHGVHL-UHFFFAOYSA-N 0 3 244.379 0.659 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H](O)C2CCC2)CCC1 ZINC000451231890 202383463 /nfs/dbraw/zinc/38/34/63/202383463.db2.gz ZPCGAGPBCVZTKH-NSHDSACASA-N 0 3 240.347 0.748 20 0 BCADHN O[C@H]1COCCN(CC[C@@H]2CCCCO2)C1 ZINC000451237503 202383891 /nfs/dbraw/zinc/38/38/91/202383891.db2.gz WIXHQMOMBOXDAF-NEPJUHHUSA-N 0 3 229.320 0.639 20 0 BCADHN O[C@@H]1COCCN(CC[C@H]2CCCCO2)C1 ZINC000451237504 202384593 /nfs/dbraw/zinc/38/45/93/202384593.db2.gz WIXHQMOMBOXDAF-NWDGAFQWSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@H]1NCCN(C(=O)NCc2ncccn2)[C@@H]1C ZINC000578669305 366625045 /nfs/dbraw/zinc/62/50/45/366625045.db2.gz HQBXOSOVBNQTOU-NXEZZACHSA-N 0 3 249.318 0.368 20 0 BCADHN COC(=O)c1ccc(CN[C@H]2CCOC2)[nH]1 ZINC000087784572 359928886 /nfs/dbraw/zinc/92/88/86/359928886.db2.gz HKYVDBNYIKUNPB-VIFPVBQESA-N 0 3 224.260 0.680 20 0 BCADHN CC[C@@]1(NCC(=O)NC2CC2)CCOC1 ZINC000309180287 491145912 /nfs/dbraw/zinc/14/59/12/491145912.db2.gz NOPOHGRZCCFMPD-LLVKDONJSA-N 0 3 212.293 0.424 20 0 BCADHN COC[C@@H](N[C@@H]1CCCCNC1=O)C1CC1 ZINC000087478527 359913908 /nfs/dbraw/zinc/91/39/08/359913908.db2.gz LUWYDZCIYTYFPK-GHMZBOCLSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H]1COCCN1CCN(C)CC(C)(C)CO ZINC000451254966 202389838 /nfs/dbraw/zinc/38/98/38/202389838.db2.gz QFAGNAVSGZAMAX-GFCCVEGCSA-N 0 3 244.379 0.657 20 0 BCADHN CN(Cc1ccncc1)C(=O)C1(N)CCC1 ZINC000088050373 359933160 /nfs/dbraw/zinc/93/31/60/359933160.db2.gz PAACSJWNXYTQIA-UHFFFAOYSA-N 0 3 219.288 0.921 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000088055704 359933805 /nfs/dbraw/zinc/93/38/05/359933805.db2.gz PBJDHPYGXPQQFV-PSASIEDQSA-N 0 3 236.319 0.931 20 0 BCADHN NC1(C(=O)Nc2ccc(-n3cncn3)nc2)CC1 ZINC000088129951 359936945 /nfs/dbraw/zinc/93/69/45/359936945.db2.gz VNKGSLLNFDSVPA-UHFFFAOYSA-N 0 3 244.258 0.092 20 0 BCADHN CC(=O)NCCN(C)CCC[C@@H](C)O ZINC000578745727 366635987 /nfs/dbraw/zinc/63/59/87/366635987.db2.gz AZIXMEXNASBWBH-SECBINFHSA-N 0 3 202.298 0.215 20 0 BCADHN C[C@H]1OCC[C@]1(O)CNCc1cn[nH]c1 ZINC000309161749 491146026 /nfs/dbraw/zinc/14/60/26/491146026.db2.gz ZJPQIUSYCZJBBD-SCZZXKLOSA-N 0 3 211.265 0.039 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H](O)C1 ZINC000612634484 359952504 /nfs/dbraw/zinc/95/25/04/359952504.db2.gz DEESOSHNMMMLAX-XWLWVQCSSA-N 0 3 226.320 0.499 20 0 BCADHN CC[C@@H](C)CN1CCO[C@H](C(N)=O)C1 ZINC000088502783 359963691 /nfs/dbraw/zinc/96/36/91/359963691.db2.gz YCHXPPUNCXGNIP-BDAKNGLRSA-N 0 3 200.282 0.219 20 0 BCADHN O=C(CNC1CC1)N1CCOCC12CCC2 ZINC000578902973 366671400 /nfs/dbraw/zinc/67/14/00/366671400.db2.gz UXYDFVUSRHFART-UHFFFAOYSA-N 0 3 224.304 0.520 20 0 BCADHN CCOC(=O)CCCN1CCC[C@@H](O)C1 ZINC000058338143 359983292 /nfs/dbraw/zinc/98/32/92/359983292.db2.gz MCSMKSYOOGHPNH-SNVBAGLBSA-N 0 3 215.293 0.786 20 0 BCADHN CC[C@H](O)CCCNC[C@@H](C)S(C)(=O)=O ZINC000578868115 366661672 /nfs/dbraw/zinc/66/16/72/366661672.db2.gz PDXRLWCMPULFBF-ZJUUUORDSA-N 0 3 237.365 0.560 20 0 BCADHN C[C@@H](c1ccccc1)[C@H](CO)NCC(N)=O ZINC000309323307 491146969 /nfs/dbraw/zinc/14/69/69/491146969.db2.gz FSVAEFCMRNLQEL-ONGXEEELSA-N 0 3 222.288 0.226 20 0 BCADHN CC(C)N(C)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000089976704 360050552 /nfs/dbraw/zinc/05/05/52/360050552.db2.gz KIFLODAHVGIGMC-GFCCVEGCSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)n1nccc1CNC[C@@](C)(O)CO ZINC000309328903 491147086 /nfs/dbraw/zinc/14/70/86/491147086.db2.gz HFRCIIMXCHMOLJ-LLVKDONJSA-N 0 3 227.308 0.297 20 0 BCADHN COC[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000090180912 360062645 /nfs/dbraw/zinc/06/26/45/360062645.db2.gz FJKWOXROWOJVGG-CMPLNLGQSA-N 0 3 238.331 0.764 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1CCC1(C)C ZINC000612871425 360144770 /nfs/dbraw/zinc/14/47/70/360144770.db2.gz 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ZGVWYFXAPIFCMH-UHFFFAOYSA-N 0 3 245.319 0.270 20 0 BCADHN CC(C)N(CCCc1cnn(C)c1)CC(N)=O ZINC000054316053 360448452 /nfs/dbraw/zinc/44/84/52/360448452.db2.gz CXGGEFJSAFIHEN-UHFFFAOYSA-N 0 3 238.335 0.548 20 0 BCADHN C[C@@H](NC1CSC1)[C@@H]1CN(C)CCO1 ZINC000306554548 360427675 /nfs/dbraw/zinc/42/76/75/360427675.db2.gz HBQISYLJAOUAMY-SCZZXKLOSA-N 0 3 216.350 0.411 20 0 BCADHN COC[C@@](C)(O)CN[C@@H](C)c1c[nH]nc1C ZINC000309487550 491149654 /nfs/dbraw/zinc/14/96/54/491149654.db2.gz VYUGMVVQNRVFSJ-KWQFWETISA-N 0 3 227.308 0.766 20 0 BCADHN CC1(C)CN(C(=O)c2cn[nH]c2)CCN1 ZINC000148074209 360559559 /nfs/dbraw/zinc/55/95/59/360559559.db2.gz YDRPKYHQCFYNBE-UHFFFAOYSA-N 0 3 208.265 0.234 20 0 BCADHN CCC[C@@H](O)CC(=O)NC[C@H]1CCCN1C ZINC000628647893 360592984 /nfs/dbraw/zinc/59/29/84/360592984.db2.gz IAVNBCLUJZUMCA-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)Cc1ccc(=O)[nH]c1 ZINC000628648625 360596492 /nfs/dbraw/zinc/59/64/92/360596492.db2.gz GVAQTYSQPMCYSU-LLVKDONJSA-N 0 3 249.314 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ZINC000631200579 360790265 /nfs/dbraw/zinc/79/02/65/360790265.db2.gz VJDHQAFVQGAVQT-SNVBAGLBSA-N 0 3 226.324 0.939 20 0 BCADHN CC[C@@H](C(=O)N1CCO[C@@H](CCF)C1)N(C)C ZINC000629018200 360796410 /nfs/dbraw/zinc/79/64/10/360796410.db2.gz MCRDMKBDBZBFTL-QWRGUYRKSA-N 0 3 246.326 0.914 20 0 BCADHN CCC[C@@H](O)CNC(=O)CNC1CC1 ZINC000154405934 360797182 /nfs/dbraw/zinc/79/71/82/360797182.db2.gz AHLNXBXYVIPTIB-SECBINFHSA-N 0 3 200.282 0.016 20 0 BCADHN NC(=O)c1csc(CNC[C@H](O)C2CC2)c1 ZINC000086573732 181311794 /nfs/dbraw/zinc/31/17/94/181311794.db2.gz FKQVLMDRVAEPPT-JTQLQIEISA-N 0 3 240.328 0.708 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1C[C@@H](O)C1)N(CC)CC ZINC000629073712 360866600 /nfs/dbraw/zinc/86/66/00/360866600.db2.gz ZPNSCUSPFMPFAI-GRYCIOLGSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@H](CCO)NCC(=O)NCC1CC1 ZINC000161721544 200721070 /nfs/dbraw/zinc/72/10/70/200721070.db2.gz SVEJUKYLAFFOHR-NSHDSACASA-N 0 3 228.336 0.509 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629122998 360888819 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DFRWMRSOYADZNQ-SSDOTTSWSA-N 0 3 219.306 0.430 20 0 BCADHN COCC[C@H](CO)N[C@@H](C)c1c[nH]nc1C ZINC000309629279 491153094 /nfs/dbraw/zinc/15/30/94/491153094.db2.gz HFIZHTOVTRZLOX-WCBMZHEXSA-N 0 3 227.308 0.766 20 0 BCADHN Cc1nc(CNC(=O)NCCN(C)C)cs1 ZINC000133377923 491152996 /nfs/dbraw/zinc/15/29/96/491152996.db2.gz WIERWIGISLJRMR-UHFFFAOYSA-N 0 3 242.348 0.812 20 0 BCADHN COCC[C@@]1(NCc2cn[nH]c2)CCOC1 ZINC000309636232 491153328 /nfs/dbraw/zinc/15/33/28/491153328.db2.gz JMADKXATVOJJDC-LLVKDONJSA-N 0 3 225.292 0.695 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1ccnnc1 ZINC000133417978 491153515 /nfs/dbraw/zinc/15/35/15/491153515.db2.gz LGFQBSFAGLTGLK-UHFFFAOYSA-N 0 3 236.319 0.890 20 0 BCADHN CO[C@H]1C[C@H](N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC000629273791 360986644 /nfs/dbraw/zinc/98/66/44/360986644.db2.gz WEYGHWPWCASQSY-AVGNSLFASA-N 0 3 248.326 0.850 20 0 BCADHN CO[C@H]1C[C@H](N[C@H](Cc2ccccc2)C(N)=O)C1 ZINC000629273792 360987017 /nfs/dbraw/zinc/98/70/17/360987017.db2.gz WEYGHWPWCASQSY-JHJVBQTASA-N 0 3 248.326 0.850 20 0 BCADHN CC(C)N(C)CC(=O)NC1(C)COC1 ZINC000634189339 361015515 /nfs/dbraw/zinc/01/55/15/361015515.db2.gz SDTKYXJIMOSWSB-UHFFFAOYSA-N 0 3 200.282 0.232 20 0 BCADHN Cc1ccc([O-])c(CN[C@@H]2CC[NH2+][C@H]2C)n1 ZINC000629407818 361057147 /nfs/dbraw/zinc/05/71/47/361057147.db2.gz LLAXBXYHBGTZLP-VHSXEESVSA-N 0 3 221.304 0.936 20 0 BCADHN CCCNC(=O)NC(=O)CN(C)CC(C)C ZINC000065962607 361084728 /nfs/dbraw/zinc/08/47/28/361084728.db2.gz ADARTPOKSUHQLF-UHFFFAOYSA-N 0 3 229.324 0.810 20 0 BCADHN C[C@@H](C(=O)NC[C@@H]1CCCN1C)c1cncnc1 ZINC000629453744 361078776 /nfs/dbraw/zinc/07/87/76/361078776.db2.gz QKOQWIBUUPMTPY-PWSUYJOCSA-N 0 3 248.330 0.791 20 0 BCADHN CN1CCC[C@H]1CNC(=O)CCc1ccon1 ZINC000629451934 361078927 /nfs/dbraw/zinc/07/89/27/361078927.db2.gz IQYNYRLMYPXFCQ-NSHDSACASA-N 0 3 237.303 0.818 20 0 BCADHN C[C@@H](C(=O)NC[C@@H]1CCCN1C)N(C)C ZINC000629455874 361079648 /nfs/dbraw/zinc/07/96/48/361079648.db2.gz LFWMXKIJPYCUBU-UWVGGRQHSA-N 0 3 213.325 0.147 20 0 BCADHN 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ZINC000019506550 181325365 /nfs/dbraw/zinc/32/53/65/181325365.db2.gz PZRONZWRKGHLAU-JTQLQIEISA-N 0 3 226.320 0.943 20 0 BCADHN NC1(C(=O)NC[C@@H]2CSCCS2)CCC1 ZINC000229608451 181325551 /nfs/dbraw/zinc/32/55/51/181325551.db2.gz LXUBJQYUKUFAKD-MRVPVSSYSA-N 0 3 246.401 0.833 20 0 BCADHN NC1(C(=O)NCCCOC[C@H]2CCOC2)CC1 ZINC000353669928 181325620 /nfs/dbraw/zinc/32/56/20/181325620.db2.gz WZTAIHOGRJXEHN-SNVBAGLBSA-N 0 3 242.319 0.037 20 0 BCADHN Cc1ncc(C[NH2+][C@H]2CCCOC2)c(=O)[n-]1 ZINC000309717531 491154917 /nfs/dbraw/zinc/15/49/17/491154917.db2.gz UPTJLZVPCANVJA-JTQLQIEISA-N 0 3 223.276 0.759 20 0 BCADHN CSC[C@@H](C)NC(=O)C[C@H]1CNCCO1 ZINC000158438552 361194292 /nfs/dbraw/zinc/19/42/92/361194292.db2.gz BRMNPBUQRDYXAM-BDAKNGLRSA-N 0 3 232.349 0.233 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCc1ncc[nH]1 ZINC000158542383 361202753 /nfs/dbraw/zinc/20/27/53/361202753.db2.gz CBWQXAMJWKUWNJ-VIFPVBQESA-N 0 3 210.281 0.052 20 0 BCADHN NC1(C(=O)NCCc2cnc(C3CC3)nc2)CC1 ZINC000353755020 181325778 /nfs/dbraw/zinc/32/57/78/181325778.db2.gz PDIRCSSXMDOGTJ-UHFFFAOYSA-N 0 3 246.314 0.504 20 0 BCADHN COCCCN1C[C@@H](CO)OC(C)(C)C1 ZINC000158743908 361211081 /nfs/dbraw/zinc/21/10/81/361211081.db2.gz KVBJLGRQQUCZHU-JTQLQIEISA-N 0 3 217.309 0.495 20 0 BCADHN Cc1ccc(CN[C@@H](C)CC(N)=O)nc1 ZINC000158896125 361213766 /nfs/dbraw/zinc/21/37/66/361213766.db2.gz KGSLGASJJSUKLZ-VIFPVBQESA-N 0 3 207.277 0.744 20 0 BCADHN C[C@H](N[C@@H]1CCO[C@H]1c1ccccc1)C(N)=O ZINC000249114198 361214900 /nfs/dbraw/zinc/21/49/00/361214900.db2.gz WETBFRCMULTVPH-WCQGTBRESA-N 0 3 234.299 0.980 20 0 BCADHN COCCCN(C)[C@@H](C)C(=O)NC1CC1 ZINC000066379885 361216921 /nfs/dbraw/zinc/21/69/21/361216921.db2.gz TXSUFVUKRSZYJR-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN NC1(C(=O)NCCn2cncn2)CCCCC1 ZINC000269050292 181326161 /nfs/dbraw/zinc/32/61/61/181326161.db2.gz JVRGFMGWEITJLJ-UHFFFAOYSA-N 0 3 237.307 0.056 20 0 BCADHN NC1(C(=O)NCCOc2ccc(F)cc2)CC1 ZINC000083365549 181326529 /nfs/dbraw/zinc/32/65/29/181326529.db2.gz HBUJWYYPKIEZAY-UHFFFAOYSA-N 0 3 238.262 0.812 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCOC(C)C ZINC000159146052 361222936 /nfs/dbraw/zinc/22/29/36/361222936.db2.gz KOMURDBEPOXUIV-JTQLQIEISA-N 0 3 216.325 0.901 20 0 BCADHN NC1(C(=O)NCCSC(F)(F)F)CC1 ZINC000226315395 181326298 /nfs/dbraw/zinc/32/62/98/181326298.db2.gz BVWIGJLJVDAHPS-UHFFFAOYSA-N 0 3 228.239 0.847 20 0 BCADHN O=C1CCCN1CCCN1C[C@@H]2C[C@]2(O)C1 ZINC000640476922 361251537 /nfs/dbraw/zinc/25/15/37/361251537.db2.gz QDQRWPCNJMQBJD-JQWIXIFHSA-N 0 3 224.304 0.066 20 0 BCADHN Cn1cncc1CCCN1C[C@@H]2C[C@]2(O)C1 ZINC000640487097 361274834 /nfs/dbraw/zinc/27/48/34/361274834.db2.gz PDPYNZTZUYBKAZ-JQWIXIFHSA-N 0 3 221.304 0.419 20 0 BCADHN Cc1cccc(CCN2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640487106 361275219 /nfs/dbraw/zinc/27/52/19/361275219.db2.gz PEPQLWFHHFZDLR-AAEUAGOBSA-N 0 3 218.300 0.999 20 0 BCADHN CC1(C)CO[C@H](CN2C[C@H]3C[C@@]3(O)C2)C1 ZINC000640485598 361278623 /nfs/dbraw/zinc/27/86/23/361278623.db2.gz IOLZQGJYYWOYBC-JFGNBEQYSA-N 0 3 211.305 0.868 20 0 BCADHN C[C@@H]1C[C@H]1CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000575000639 361282810 /nfs/dbraw/zinc/28/28/10/361282810.db2.gz JAPXRTQSYDUCKF-RCWTZXSCSA-N 0 3 226.320 0.166 20 0 BCADHN O[C@@H](Cc1ccccc1)CN1C[C@@H]2C[C@]2(O)C1 ZINC000640489248 361283078 /nfs/dbraw/zinc/28/30/78/361283078.db2.gz WSKCFZJKZXIYEB-IHRRRGAJSA-N 0 3 233.311 0.657 20 0 BCADHN Cc1nccn1CCCN(C)C(=O)C(C)(C)N ZINC000579003916 366692435 /nfs/dbraw/zinc/69/24/35/366692435.db2.gz VAXKYLNRIDMMDH-UHFFFAOYSA-N 0 3 238.335 0.777 20 0 BCADHN Cc1cc(C)n(CCN2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640478228 361254613 /nfs/dbraw/zinc/25/46/13/361254613.db2.gz VGQLBVDUCHVZSK-RYUDHWBXSA-N 0 3 221.304 0.567 20 0 BCADHN Cc1ccncc1CN1C[C@H]2C[C@@]2(O)C1 ZINC000640483669 361259616 /nfs/dbraw/zinc/25/96/16/361259616.db2.gz XMXUXXYJFHWZEZ-VXGBXAGGSA-N 0 3 204.273 0.957 20 0 BCADHN NC1(C(=O)N[C@H]2CCC[C@H](F)C2)CC1 ZINC000335590869 181327976 /nfs/dbraw/zinc/32/79/76/181327976.db2.gz KOZUQZOVBRVYOP-YUMQZZPRSA-N 0 3 200.257 0.875 20 0 BCADHN 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/nfs/dbraw/zinc/23/30/93/201233093.db2.gz ZREZHGPABDBBME-UHFFFAOYSA-N 0 3 227.352 0.396 20 0 BCADHN CC(C(=O)N1C[C@@H]2CCC[C@@H]2C1)S(C)(=O)=O ZINC000153954807 201252837 /nfs/dbraw/zinc/25/28/37/201252837.db2.gz MWVWCVUZQVYJRG-LPEHRKFASA-N 0 3 245.344 0.678 20 0 BCADHN CCN(C)S(=O)(=O)N1CCC[C@H]1CN(C)C ZINC000435227820 201255310 /nfs/dbraw/zinc/25/53/10/201255310.db2.gz VRLYAGRRQSAMGF-JTQLQIEISA-N 0 3 249.380 0.209 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000154020902 201257197 /nfs/dbraw/zinc/25/71/97/201257197.db2.gz XEPXWDWYHNHZFK-UKKRHICBSA-N 0 3 227.352 0.569 20 0 BCADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN ZINC000195162139 361645451 /nfs/dbraw/zinc/64/54/51/361645451.db2.gz DVFVQPNFNRCNNL-ZJUUUORDSA-N 0 3 214.309 0.657 20 0 BCADHN CNCC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000195162366 361646149 /nfs/dbraw/zinc/64/61/49/361646149.db2.gz MZPBUKYFVATCFD-GHMZBOCLSA-N 0 3 228.336 0.917 20 0 BCADHN Cc1ccc([C@H](O)CNC(=O)[C@H](C)N)cc1 ZINC000195172491 361664529 /nfs/dbraw/zinc/66/45/29/361664529.db2.gz KDEPDRFBJXEWKJ-GXSJLCMTSA-N 0 3 222.288 0.492 20 0 BCADHN Cn1nncc1CN1CCC[C@H]1C(C)(C)O ZINC000154461365 201280588 /nfs/dbraw/zinc/28/05/88/201280588.db2.gz JCZLRTJHJFDCIU-JTQLQIEISA-N 0 3 224.308 0.550 20 0 BCADHN CCCN(C)CC(=O)N(C)[C@H](C)C(=O)OC ZINC000435947037 201303451 /nfs/dbraw/zinc/30/34/51/201303451.db2.gz LRYVBEXYSHIRMB-SECBINFHSA-N 0 3 230.308 0.348 20 0 BCADHN CC(C)COC[C@H](O)CN1CC(C(C)(C)O)C1 ZINC000435900739 201294652 /nfs/dbraw/zinc/29/46/52/201294652.db2.gz CNRDGBVMPAWLGC-GFCCVEGCSA-N 0 3 245.363 0.723 20 0 BCADHN CCN(CCN)C(=O)C(=O)N1CCC(C)CC1 ZINC000629785032 361705769 /nfs/dbraw/zinc/70/57/69/361705769.db2.gz WTFSBIKSWRQAHF-UHFFFAOYSA-N 0 3 241.335 0.052 20 0 BCADHN CC[C@@H](CO)NCc1ccc(C(=O)N(C)C)[nH]1 ZINC000436410693 201324470 /nfs/dbraw/zinc/32/44/70/201324470.db2.gz KMOPTADDSMMMOO-VIFPVBQESA-N 0 3 239.319 0.577 20 0 BCADHN CN(CCO)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000133981188 491161316 /nfs/dbraw/zinc/16/13/16/491161316.db2.gz ZBNWVWZVQMFBGJ-LLVKDONJSA-N 0 3 241.335 0.104 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21)N(C)C ZINC000629766285 361691392 /nfs/dbraw/zinc/69/13/92/361691392.db2.gz RIARIJSORXQBMG-IRCOFANPSA-N 0 3 240.347 0.698 20 0 BCADHN CCN(CC)CC(=O)NC(C)(C)COC ZINC000066742762 361697803 /nfs/dbraw/zinc/69/78/03/361697803.db2.gz KANWSFMGFYIQCM-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN COc1ccc(CN[C@H](C)Cn2cncn2)cn1 ZINC000436240100 201315161 /nfs/dbraw/zinc/31/51/61/201315161.db2.gz NGJMZOIQKGIJJZ-SNVBAGLBSA-N 0 3 247.302 0.860 20 0 BCADHN CNS(=O)(=O)CCCNCc1occc1C ZINC000631230249 361698683 /nfs/dbraw/zinc/69/86/83/361698683.db2.gz VRIYJYRGPBEAHV-UHFFFAOYSA-N 0 3 246.332 0.617 20 0 BCADHN OCC(CO)NCc1cc2c(cccc2F)[nH]1 ZINC000436254623 201316030 /nfs/dbraw/zinc/31/60/30/201316030.db2.gz UBORCZLISBPWMN-UHFFFAOYSA-N 0 3 238.262 0.750 20 0 BCADHN CC[C@@H](C(=O)N1CC(OC(F)F)C1)N(C)C ZINC000437600454 201363397 /nfs/dbraw/zinc/36/33/97/201363397.db2.gz ILXBWLGTQHQDSD-QMMMGPOBSA-N 0 3 236.262 0.777 20 0 BCADHN Cc1nccnc1C(=O)NC1(CN(C)C)CCC1 ZINC000614400425 363805048 /nfs/dbraw/zinc/80/50/48/363805048.db2.gz OAZJVYSMGKKHEH-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN CN(C)CC1(NC(=O)[C@@H](O)C2CC2)CCC1 ZINC000614400147 363805242 /nfs/dbraw/zinc/80/52/42/363805242.db2.gz WBTVVSRKQOXXNC-JTQLQIEISA-N 0 3 226.320 0.358 20 0 BCADHN CCNC(=O)CN(CC)CC[C@@H]1CCOC1 ZINC000437581254 201357748 /nfs/dbraw/zinc/35/77/48/201357748.db2.gz VXLJPFSGHGMZQV-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CC(C)NC(=O)CN(C)CC[C@H]1CCOC1 ZINC000437596459 201357775 /nfs/dbraw/zinc/35/77/75/201357775.db2.gz YFBQBOHYZDEFFB-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)CN(CC[C@@H]1CCOC1)CC(N)=O ZINC000437577693 201357808 /nfs/dbraw/zinc/35/78/08/201357808.db2.gz KJMWPCTZLCMNMX-LLVKDONJSA-N 0 3 228.336 0.856 20 0 BCADHN CC(C)CN(CC[C@H]1CCOC1)CC(N)=O ZINC000437577695 201358425 /nfs/dbraw/zinc/35/84/25/201358425.db2.gz KJMWPCTZLCMNMX-NSHDSACASA-N 0 3 228.336 0.856 20 0 BCADHN CC(C)N(C)CC(=O)N1CC(OC(F)F)C1 ZINC000437596549 201360155 /nfs/dbraw/zinc/36/01/55/201360155.db2.gz ZCXOUMWKUOVNPU-UHFFFAOYSA-N 0 3 236.262 0.777 20 0 BCADHN COCCN(CC[C@H]1CCOC1)[C@@H](C)C(N)=O ZINC000438119676 201392136 /nfs/dbraw/zinc/39/21/36/201392136.db2.gz KBPQAVFAKAIKPK-QWRGUYRKSA-N 0 3 244.335 0.235 20 0 BCADHN NCC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000062973400 181349234 /nfs/dbraw/zinc/34/92/34/181349234.db2.gz IFYPRXGDNGQLFJ-JTQLQIEISA-N 0 3 211.309 0.032 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CCOC1(C)C ZINC000328254625 363866933 /nfs/dbraw/zinc/86/69/33/363866933.db2.gz PRMSDTKXEDWDIB-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN NCC(=O)N1CCN(Cc2cccs2)CC1 ZINC000037495231 181350811 /nfs/dbraw/zinc/35/08/11/181350811.db2.gz PMDJRZSJIRWHMQ-UHFFFAOYSA-N 0 3 239.344 0.351 20 0 BCADHN CCC1(O)CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000614546104 363844429 /nfs/dbraw/zinc/84/44/29/363844429.db2.gz PJRHDNXDBAZRMB-JTQLQIEISA-N 0 3 226.320 0.312 20 0 BCADHN CC(C)N1CC[C@@H](N(C)S(=O)(=O)N(C)C)C1 ZINC000452098341 202527664 /nfs/dbraw/zinc/52/76/64/202527664.db2.gz TUFUZCHJZLCKPH-SNVBAGLBSA-N 0 3 249.380 0.207 20 0 BCADHN C[C@@H]1C[C@@H](C)CN(CCS(N)(=O)=O)C1 ZINC000306425313 541313075 /nfs/dbraw/zinc/31/30/75/541313075.db2.gz HAUSMKHPOUVGOT-RKDXNWHRSA-N 0 3 220.338 0.253 20 0 BCADHN COC[C@H](OC)C(=O)NC[C@H]1CCCN(C)C1 ZINC000668463523 541318069 /nfs/dbraw/zinc/31/80/69/541318069.db2.gz SJLBWSZRMRWNPU-MNOVXSKESA-N 0 3 244.335 0.106 20 0 BCADHN COC[C@@H](OC)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000668463525 541318083 /nfs/dbraw/zinc/31/80/83/541318083.db2.gz SJLBWSZRMRWNPU-WDEREUQCSA-N 0 3 244.335 0.106 20 0 BCADHN COC[C@@H](OC)C(=O)NC[C@H]1CCCN(C)C1 ZINC000668463522 541318173 /nfs/dbraw/zinc/31/81/73/541318173.db2.gz SJLBWSZRMRWNPU-GHMZBOCLSA-N 0 3 244.335 0.106 20 0 BCADHN C[C@@H](C(=O)N[C@@H](CO)CN(C)C)C(F)(F)F ZINC000614844868 363993749 /nfs/dbraw/zinc/99/37/49/363993749.db2.gz AFEWJPSZPTZPNE-NKWVEPMBSA-N 0 3 242.241 0.224 20 0 BCADHN CCc1[nH]ccc1C(=O)N[C@@H](CO)CN(C)C ZINC000614846211 363994807 /nfs/dbraw/zinc/99/48/07/363994807.db2.gz GFFOVEWEODGAGA-SECBINFHSA-N 0 3 239.319 0.229 20 0 BCADHN NCC(=O)NCc1nc(C2CC2)cs1 ZINC000237977668 181353055 /nfs/dbraw/zinc/35/30/55/181353055.db2.gz BLYNFDINYPWJCD-UHFFFAOYSA-N 0 3 211.290 0.595 20 0 BCADHN NCC(=O)NCc1ccnc(N2CCCC2)c1 ZINC000237977138 181353101 /nfs/dbraw/zinc/35/31/01/181353101.db2.gz NDSVZPRCBGXQHR-UHFFFAOYSA-N 0 3 234.303 0.257 20 0 BCADHN Cc1ccc(CC(=O)N[C@@H](CO)CN(C)C)o1 ZINC000614847271 363995926 /nfs/dbraw/zinc/99/59/26/363995926.db2.gz KRQATAYZNRRLPI-SNVBAGLBSA-N 0 3 240.303 0.169 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000614847757 363997233 /nfs/dbraw/zinc/99/72/33/363997233.db2.gz NESIRPYSCFJEAJ-MXWKQRLJSA-N 0 3 226.320 0.071 20 0 BCADHN CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000614850999 364003923 /nfs/dbraw/zinc/00/39/23/364003923.db2.gz DMHMDIVZSYFULM-MDZLAQPJSA-N 0 3 242.363 0.707 20 0 BCADHN CC(C)[C@]1(C)C[C@H]1C(=O)N[C@H](CO)CN(C)C ZINC000614850995 364004143 /nfs/dbraw/zinc/00/41/43/364004143.db2.gz DMHMDIVZSYFULM-GVXVVHGQSA-N 0 3 242.363 0.707 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCC(C)(C)C1 ZINC000614853628 364007629 /nfs/dbraw/zinc/00/76/29/364007629.db2.gz ZYAVCVCMGFISME-QWRGUYRKSA-N 0 3 242.363 0.851 20 0 BCADHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)ccn1 ZINC000614853522 364009329 /nfs/dbraw/zinc/00/93/29/364009329.db2.gz YBVWSEAWCSWCOU-LLVKDONJSA-N 0 3 237.303 0.042 20 0 BCADHN C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000614857031 364011663 /nfs/dbraw/zinc/01/16/63/364011663.db2.gz FCCDDKZZLIMKPC-UTUOFQBUSA-N 0 3 242.363 0.851 20 0 BCADHN CN(C(=O)C1CCN(C)CC1)C1(CO)CC1 ZINC000614768365 363958981 /nfs/dbraw/zinc/95/89/81/363958981.db2.gz AGZGFXNXKOPBRS-UHFFFAOYSA-N 0 3 226.320 0.312 20 0 BCADHN NCC(=O)NC[C@H](O)c1c(F)cccc1Cl ZINC000269065462 181354579 /nfs/dbraw/zinc/35/45/79/181354579.db2.gz NOUOSCKVGBOISC-QMMMGPOBSA-N 0 3 246.669 0.587 20 0 BCADHN NCC(=O)NCc1ccccc1OC(F)F ZINC000040856602 181354299 /nfs/dbraw/zinc/35/42/99/181354299.db2.gz CPUBCYDLQPOJHO-UHFFFAOYSA-N 0 3 230.214 0.863 20 0 BCADHN CO[C@@H]1CC[C@H](C(=O)N[C@@H](C)CN(C)C)C1 ZINC000614838548 363990033 /nfs/dbraw/zinc/99/00/33/363990033.db2.gz JXFJNQAYVPIWBL-GARJFASQSA-N 0 3 228.336 0.868 20 0 BCADHN Cc1nccnc1C(=O)N[C@@H](C)CN(C)C ZINC000614838175 363990044 /nfs/dbraw/zinc/99/00/44/363990044.db2.gz DMMVTRIJSVSEIR-QMMMGPOBSA-N 0 3 222.292 0.465 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ncccc1F ZINC000614839011 363990371 /nfs/dbraw/zinc/99/03/71/363990371.db2.gz MPKPFERVHZDICG-QMMMGPOBSA-N 0 3 225.267 0.901 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccc(CO)cc1 ZINC000614838786 363990421 /nfs/dbraw/zinc/99/04/21/363990421.db2.gz MDKALRFMXJXYFF-JTQLQIEISA-N 0 3 236.315 0.859 20 0 BCADHN CCOC(C)(C)C(=O)NCCN(C)C ZINC000630409318 364141609 /nfs/dbraw/zinc/14/16/09/364141609.db2.gz MBQMCLSMEDEWBB-UHFFFAOYSA-N 0 3 202.298 0.479 20 0 BCADHN CN(C)CC(C)(C)NC(=O)CCCCC(N)=O ZINC000622098781 370707533 /nfs/dbraw/zinc/70/75/33/370707533.db2.gz RCBLWPWHWIFLQU-UHFFFAOYSA-N 0 3 243.351 0.489 20 0 BCADHN CC(C(N)=O)S(=O)(=O)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000630426596 364156673 /nfs/dbraw/zinc/15/66/73/364156673.db2.gz KPNDULFJPUNWKV-LURQLKTLSA-N 0 3 231.317 0.321 20 0 BCADHN COCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000080322499 370748007 /nfs/dbraw/zinc/74/80/07/370748007.db2.gz YLCYOZPAULUYAU-SECBINFHSA-N 0 3 215.297 0.026 20 0 BCADHN CC[C@H](NC(C)=O)C(=O)NC1CCN(C)CC1 ZINC000630563892 364262261 /nfs/dbraw/zinc/26/22/61/364262261.db2.gz RVPIEXKKPVSMSK-NSHDSACASA-N 0 3 241.335 0.112 20 0 BCADHN CN(C)CCc1cn(C[C@H]2CCCO2)nn1 ZINC000630608653 364334435 /nfs/dbraw/zinc/33/44/35/364334435.db2.gz DFXZMIGVDTUBOV-LLVKDONJSA-N 0 3 224.308 0.561 20 0 BCADHN C[C@@H](Cn1cccn1)NC(=O)C1(N)CCCC1 ZINC000037616212 364309751 /nfs/dbraw/zinc/30/97/51/364309751.db2.gz FWHXABYKMDYQHL-JTQLQIEISA-N 0 3 236.319 0.659 20 0 BCADHN C[C@H](Cn1cccn1)NC(=O)C1(N)CCCC1 ZINC000037616213 364309878 /nfs/dbraw/zinc/30/98/78/364309878.db2.gz FWHXABYKMDYQHL-SNVBAGLBSA-N 0 3 236.319 0.659 20 0 BCADHN CC[C@@H](N)c1cn(Cc2ccon2)nn1 ZINC000630598042 364313038 /nfs/dbraw/zinc/31/30/38/364313038.db2.gz JLDZRUNANAGRIV-MRVPVSSYSA-N 0 3 207.237 0.724 20 0 BCADHN CC(C)[C@@H](N)c1cn(Cc2ccon2)nn1 ZINC000630598385 364314912 /nfs/dbraw/zinc/31/49/12/364314912.db2.gz PZLNVDCLHWSMSC-SNVBAGLBSA-N 0 3 221.264 0.970 20 0 BCADHN C[C@H](O)CCc1cn(CCN2CCCC2)nn1 ZINC000630617708 364352816 /nfs/dbraw/zinc/35/28/16/364352816.db2.gz GGCHBIPIIBBPAT-NSHDSACASA-N 0 3 238.335 0.687 20 0 BCADHN CC(C)/C=C/c1cn(C[C@@H]2CNCCO2)nn1 ZINC000630616803 364354551 /nfs/dbraw/zinc/35/45/51/364354551.db2.gz NLPMPYGWEZSIOV-PCAWENJQSA-N 0 3 236.319 0.936 20 0 BCADHN CO[C@H](C)[C@H](C)NCC(=O)NCC1CC1 ZINC000134619534 364406519 /nfs/dbraw/zinc/40/65/19/364406519.db2.gz FYAYGYNJMWKBAB-DTWKUNHWSA-N 0 3 214.309 0.526 20 0 BCADHN CC(=O)N1CCCN(CC[C@H](C)O)CC1 ZINC000134010030 364382913 /nfs/dbraw/zinc/38/29/13/364382913.db2.gz JGEDOUHLJDUOJP-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN 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236.319 0.311 20 0 BCADHN C[C@@H](C(N)=O)N1CCN(C2CCCCC2)CC1 ZINC000163117568 325812214 /nfs/dbraw/zinc/81/22/14/325812214.db2.gz URNGPFITGMVUMG-NSHDSACASA-N 0 3 239.363 0.811 20 0 BCADHN Cc1cc(CNC(=O)CN2CC[C@@H](C)C2)[nH]n1 ZINC000654788238 541479673 /nfs/dbraw/zinc/47/96/73/541479673.db2.gz VSLSWMAMCKUJLA-SECBINFHSA-N 0 3 236.319 0.676 20 0 BCADHN Cc1cc(CNC(=O)CN2CC[C@@H](C)C2)n[nH]1 ZINC000654788238 541479676 /nfs/dbraw/zinc/47/96/76/541479676.db2.gz VSLSWMAMCKUJLA-SECBINFHSA-N 0 3 236.319 0.676 20 0 BCADHN CC(C)C(=O)NCCN(C)C[C@@H](C)CO ZINC000157434708 541488618 /nfs/dbraw/zinc/48/86/18/541488618.db2.gz FTEDLJIOCONESC-SNVBAGLBSA-N 0 3 216.325 0.319 20 0 BCADHN C[NH2+]CCC(=O)NCc1ncccc1[O-] ZINC000564935805 325829021 /nfs/dbraw/zinc/82/90/21/325829021.db2.gz BPERGCXLKIWZHZ-UHFFFAOYSA-N 0 3 209.249 0.013 20 0 BCADHN CN(CC1CC1)C(=O)CN[C@@H]1C[C@H](O)C1(C)C ZINC000579727553 366993531 /nfs/dbraw/zinc/99/35/31/366993531.db2.gz PMKBMOSFSCPZTL-MNOVXSKESA-N 0 3 240.347 0.604 20 0 BCADHN 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ZINC000184227866 367070797 /nfs/dbraw/zinc/07/07/97/367070797.db2.gz IAGSSMVZISGJLZ-UHFFFAOYSA-N 0 3 248.326 0.813 20 0 BCADHN CC[C@@H]1[C@@H](C)CCN1CC(=O)N1CCOCC1 ZINC000185592719 367137220 /nfs/dbraw/zinc/13/72/20/367137220.db2.gz LOGBSMMSXKIWAM-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H]1[C@H](C)CCN1CC(=O)N1CCOCC1 ZINC000185592687 367137379 /nfs/dbraw/zinc/13/73/79/367137379.db2.gz LOGBSMMSXKIWAM-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H]1[C@H](C)CCN1CC(=O)NC(=O)NC ZINC000185591684 367138112 /nfs/dbraw/zinc/13/81/12/367138112.db2.gz RHJCQYANILEGMK-RKDXNWHRSA-N 0 3 227.308 0.562 20 0 BCADHN NC(=O)CCN[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000579947853 367096526 /nfs/dbraw/zinc/09/65/26/367096526.db2.gz HLLHVHKJYHJJOD-DGCLKSJQSA-N 0 3 234.299 0.982 20 0 BCADHN COCCN(C)C[C@@H](O)CN1CC=C(C)CC1 ZINC000580812102 367173648 /nfs/dbraw/zinc/17/36/48/367173648.db2.gz INJPDAHGNUFLLA-CYBMUJFWSA-N 0 3 242.363 0.578 20 0 BCADHN O=C1NCC[C@@H]1CCN1CCO[C@@H](C2CC2)C1 ZINC000580722217 367151161 /nfs/dbraw/zinc/15/11/61/367151161.db2.gz DHCCMJQRRZMCQK-VXGBXAGGSA-N 0 3 238.331 0.623 20 0 BCADHN CN1CCC(NC(=O)[C@@H](O)C2CCC2)CC1 ZINC000622285705 370823030 /nfs/dbraw/zinc/82/30/30/370823030.db2.gz ZBIIHURAUSJBLH-NSHDSACASA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@H](CN1CCOCC1)N1C[C@@H](O)C(C)(C)C1 ZINC000580754374 367155736 /nfs/dbraw/zinc/15/57/36/367155736.db2.gz QKDCJBWLQCAVHR-NWDGAFQWSA-N 0 3 242.363 0.410 20 0 BCADHN C[C@@H](CN1CCOCC1)N1C[C@H](O)C(C)(C)C1 ZINC000580754375 367156015 /nfs/dbraw/zinc/15/60/15/367156015.db2.gz QKDCJBWLQCAVHR-RYUDHWBXSA-N 0 3 242.363 0.410 20 0 BCADHN CO[C@@H](CN)C(=O)NCCC[C@H]1CCCCO1 ZINC000580888098 367198082 /nfs/dbraw/zinc/19/80/82/367198082.db2.gz XQQCCOBTRUSDOT-MNOVXSKESA-N 0 3 244.335 0.426 20 0 BCADHN O=C(N[C@H]1CCSC1)[C@H]1CCCCN1 ZINC000225488269 370859588 /nfs/dbraw/zinc/85/95/88/370859588.db2.gz PWGNTJKOYLSIJS-DTWKUNHWSA-N 0 3 214.334 0.750 20 0 BCADHN NC1(C(=O)NCCOCC2CCC2)CC1 ZINC000580953328 367215370 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/nfs/dbraw/zinc/09/33/14/183093314.db2.gz JIXXBKVSDHAGAK-JGVFFNPUSA-N 0 3 227.226 0.756 20 0 BCADHN OCC[C@@H]1CSCCN1C[C@H]1CCCO1 ZINC000336653490 183094100 /nfs/dbraw/zinc/09/41/00/183094100.db2.gz YPFNMOWKPKVTOB-GHMZBOCLSA-N 0 3 231.361 0.965 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@H](C)c1ncon1 ZINC000125494348 169007145 /nfs/dbraw/zinc/00/71/45/169007145.db2.gz ABYZZKSLDCSUMN-SFYZADRCSA-N 0 3 226.280 0.764 20 0 BCADHN CCCC[C@H](N)C(=O)NCCc1cnn(C)c1 ZINC000128118206 169007514 /nfs/dbraw/zinc/00/75/14/169007514.db2.gz RCYWJXUCBZCMNK-NSHDSACASA-N 0 3 238.335 0.596 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@H]1COCCO1 ZINC000038062336 169007918 /nfs/dbraw/zinc/00/79/18/169007918.db2.gz NDCBQYKMORTHSL-UWVGGRQHSA-N 0 3 230.308 0.036 20 0 BCADHN OC[C@H](CNCc1cncnc1)C1CC1 ZINC000336744187 183137303 /nfs/dbraw/zinc/13/73/03/183137303.db2.gz ZAHGTOYGZMMISF-NSHDSACASA-N 0 3 207.277 0.585 20 0 BCADHN OC[C@H](NCc1cc[nH]c1)[C@@H]1CCCO1 ZINC000336656706 183140762 /nfs/dbraw/zinc/14/07/62/183140762.db2.gz 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20 0 BCADHN OC[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1O ZINC000316440106 183127611 /nfs/dbraw/zinc/12/76/11/183127611.db2.gz DZEMOQMDBMYZMP-LSDHHAIUSA-N 0 3 247.338 0.960 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1[C@@H]1Cc2ccccc2[C@@H]1O ZINC000372166121 183128749 /nfs/dbraw/zinc/12/87/49/183128749.db2.gz CWOKORWXDUSLDN-UNJBNNCHSA-N 0 3 249.310 0.072 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1[C@@H]1Cc2ccccc2[C@H]1O ZINC000372166120 183129111 /nfs/dbraw/zinc/12/91/11/183129111.db2.gz CWOKORWXDUSLDN-OIMNJJJWSA-N 0 3 249.310 0.072 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000368269806 183129998 /nfs/dbraw/zinc/12/99/98/183129998.db2.gz NUGZFLRBRWOZGW-REWJHTLYSA-N 0 3 233.311 0.970 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1Cc1ccc2c[nH]nc2c1 ZINC000372288820 183130202 /nfs/dbraw/zinc/13/02/02/183130202.db2.gz MNHULBIUQJZAQA-NWDGAFQWSA-N 0 3 247.298 0.490 20 0 BCADHN OC[C@H]1CC[C@H](CO)N1CCc1cccnc1 ZINC000286709928 183153804 /nfs/dbraw/zinc/15/38/04/183153804.db2.gz AMRPUKIZUMQFDK-CHWSQXEVSA-N 0 3 236.315 0.442 20 0 BCADHN OCc1ccc(CN[C@H]2CCC[C@@H]2O)o1 ZINC000164611899 183165329 /nfs/dbraw/zinc/16/53/29/183165329.db2.gz JZOWVXTUJLSLSQ-QWRGUYRKSA-N 0 3 211.261 0.775 20 0 BCADHN OCc1ccc(CNC[C@H](O)C2CC2)o1 ZINC000081575124 183164768 /nfs/dbraw/zinc/16/47/68/183164768.db2.gz SGEMECFWUJVKPG-NSHDSACASA-N 0 3 211.261 0.632 20 0 BCADHN O[C@@H](CNCc1c[nH]c2nccnc12)C(F)F ZINC000356184725 183179834 /nfs/dbraw/zinc/17/98/34/183179834.db2.gz DWVUBHRGOCMARO-ZETCQYMHSA-N 0 3 242.229 0.625 20 0 BCADHN CCCN(C)C(=O)[C@@H](N)CCC(=O)OC ZINC000336736319 169057278 /nfs/dbraw/zinc/05/72/78/169057278.db2.gz IRKUUDRCHMSRPE-QMMMGPOBSA-N 0 3 216.281 0.135 20 0 BCADHN CCCN(C)CC(=O)N1CCN(CCC)CC1 ZINC000359242248 169067603 /nfs/dbraw/zinc/06/76/03/169067603.db2.gz HMHAXVURFCFFDK-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CCCN(C)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000372374344 169068338 /nfs/dbraw/zinc/06/83/38/169068338.db2.gz QWALHFHJHISSLV-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CCCN(C)CC(=O)N1CCn2cncc2C1 ZINC000359457281 169068761 /nfs/dbraw/zinc/06/87/61/169068761.db2.gz IMJUVJBOSWHADM-UHFFFAOYSA-N 0 3 236.319 0.567 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H](C)OC[C@H]1C ZINC000359337024 169068840 /nfs/dbraw/zinc/06/88/40/169068840.db2.gz GWUCPGUZWHWUMI-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CCCN(C)CC(=O)N1CCCN(C)CC1 ZINC000355475033 169068980 /nfs/dbraw/zinc/06/89/80/169068980.db2.gz SZQXMZKVIAOBMH-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000330910409 169069829 /nfs/dbraw/zinc/06/98/29/169069829.db2.gz PSTSSTOAWYCRLM-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H]1CCCOC1 ZINC000359300731 169069945 /nfs/dbraw/zinc/06/99/45/169069945.db2.gz JHDSYRBZTWLORK-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN O[C@@H]1CCN([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000272047190 183200252 /nfs/dbraw/zinc/20/02/52/183200252.db2.gz YWGGOAPXCLBFOK-RAIGVLPGSA-N 0 3 219.284 0.711 20 0 BCADHN CCCN(C)CC(=O)NCC1=CCCOC1 ZINC000360460204 169071206 /nfs/dbraw/zinc/07/12/06/169071206.db2.gz KCISQUJXXHEBKM-UHFFFAOYSA-N 0 3 226.320 0.791 20 0 BCADHN CCCN(C)CC(=O)NCCN(C)C1CC1 ZINC000358598465 169071221 /nfs/dbraw/zinc/07/12/21/169071221.db2.gz VJMMTYLSQHSBLR-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](C)C[C@@H](C)O ZINC000355457411 169071390 /nfs/dbraw/zinc/07/13/90/169071390.db2.gz PYHJPCLXPFVRGR-WDEREUQCSA-N 0 3 230.352 0.851 20 0 BCADHN CCCN(C)CC(=O)NCCc1ccon1 ZINC000354889971 169071741 /nfs/dbraw/zinc/07/17/41/169071741.db2.gz KLOKJKLOQRABJS-UHFFFAOYSA-N 0 3 225.292 0.675 20 0 BCADHN CCCN(C)CC(=O)NC[C@H]1CCCN1C ZINC000359244593 169072109 /nfs/dbraw/zinc/07/21/09/169072109.db2.gz RBFHUESDKOURJA-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1C=C[C@@H](CO)C1 ZINC000341726531 169072315 /nfs/dbraw/zinc/07/23/15/169072315.db2.gz DXFIUZPIIFDGIX-GHMZBOCLSA-N 0 3 226.320 0.381 20 0 BCADHN CCCN(C)CC(=O)N[C@@](C)(CC)CO ZINC000359562905 169073203 /nfs/dbraw/zinc/07/32/03/169073203.db2.gz LWLPFZGFWXCIRQ-NSHDSACASA-N 0 3 216.325 0.605 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](O)[C@H](C)CC ZINC000355096601 169073207 /nfs/dbraw/zinc/07/32/07/169073207.db2.gz LIXVFXWMKVVSTQ-MNOVXSKESA-N 0 3 230.352 0.851 20 0 BCADHN CCCN(C)CC(=O)NCc1nnc(C)n1C ZINC000330712870 169073837 /nfs/dbraw/zinc/07/38/37/169073837.db2.gz WLUSPBSIUVCLAH-UHFFFAOYSA-N 0 3 239.323 0.082 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCOC1 ZINC000337437993 169074179 /nfs/dbraw/zinc/07/41/79/169074179.db2.gz BZUNJPSEBDPCOG-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)O ZINC000341920028 169074343 /nfs/dbraw/zinc/07/43/43/169074343.db2.gz FHFGJWWPQDZKAR-UWVGGRQHSA-N 0 3 216.325 0.604 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)CC(=O)OC ZINC000355470243 169075710 /nfs/dbraw/zinc/07/57/10/169075710.db2.gz GUZLBJDQKWFBPI-SECBINFHSA-N 0 3 230.308 0.396 20 0 BCADHN O[C@@H]1CN(Cc2c[nH]c3nccnc23)CC12CC2 ZINC000367942470 183206075 /nfs/dbraw/zinc/20/60/75/183206075.db2.gz LMWLRSFYPKUZSZ-SNVBAGLBSA-N 0 3 244.298 0.866 20 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/nfs/dbraw/zinc/39/02/59/169390259.db2.gz OLYNRNUXYUKBQI-SSDOTTSWSA-N 0 3 229.305 0.180 20 0 BCADHN CCC[C@@H](N)C(=O)NC[C@H]1CCCOC1 ZINC000038046171 169391135 /nfs/dbraw/zinc/39/11/35/169391135.db2.gz HXGNSINXZYCODE-NXEZZACHSA-N 0 3 214.309 0.657 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H](C)c1nc(C)no1 ZINC000353571505 169392414 /nfs/dbraw/zinc/39/24/14/169392414.db2.gz ZKXADGLCIKHTJM-HTRCEHHLSA-N 0 3 226.280 0.683 20 0 BCADHN CCC[C@@H](NC(=O)CN(C)CCC)C(=O)OC ZINC000358796910 169396023 /nfs/dbraw/zinc/39/60/23/169396023.db2.gz UHHRRGCABKGXJW-SNVBAGLBSA-N 0 3 244.335 0.786 20 0 BCADHN C[S@](=O)CCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000179659718 134322997 /nfs/dbraw/zinc/32/29/97/134322997.db2.gz ZHJCUDOYINDJEW-HWPZZCPQSA-N 0 3 244.360 0.062 20 0 BCADHN CNC(=O)[C@@H]1CN(C[Si](C)(C)C)CCO1 ZINC000180243844 134328454 /nfs/dbraw/zinc/32/84/54/134328454.db2.gz FKGGWBZEGDEIAY-VIFPVBQESA-N 0 3 230.384 0.311 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H]1CCCN(C)C1 ZINC000040673764 169452684 /nfs/dbraw/zinc/45/26/84/169452684.db2.gz KQCICCNIEJTDAY-CMPLNLGQSA-N 0 3 227.352 0.714 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCCn1ccnc1 ZINC000037621447 169451156 /nfs/dbraw/zinc/45/11/56/169451156.db2.gz GTUHIDNHMNFGLN-GFCCVEGCSA-N 0 3 238.335 0.907 20 0 BCADHN CCC[C@H](N)C(=O)N1CCCC[C@@H]1C(=O)NC ZINC000037810825 169500540 /nfs/dbraw/zinc/50/05/40/169500540.db2.gz HINLMOSUCXBJJM-VHSXEESVSA-N 0 3 241.335 0.241 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCOC[C@@H](C)C1 ZINC000371569895 169545560 /nfs/dbraw/zinc/54/55/60/169545560.db2.gz MMWVFWBRVWANDD-JQWIXIFHSA-N 0 3 228.336 0.999 20 0 BCADHN CSCC[C@H](N)C(=O)NCC1(C)CC1 ZINC000225526867 134353823 /nfs/dbraw/zinc/35/38/23/134353823.db2.gz YHOZPTGXPJYECB-QMMMGPOBSA-N 0 3 216.350 0.983 20 0 BCADHN CCCn1cc(NC(=O)[C@@H](N)CC)ccc1=O ZINC000037766211 169620805 /nfs/dbraw/zinc/62/08/05/169620805.db2.gz KQVWFJJCMWSYRX-JTQLQIEISA-N 0 3 237.303 0.934 20 0 BCADHN CCOC(=O)CCN1CCN(C)C[C@@H]1C ZINC000225915120 134360286 /nfs/dbraw/zinc/36/02/86/134360286.db2.gz XSIDHUYVTSGRBX-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN COCCCCCNC(=O)C[C@H]1CNCCO1 ZINC000226327313 134360479 /nfs/dbraw/zinc/36/04/79/134360479.db2.gz HMHNWSPDLNOSBF-NSHDSACASA-N 0 3 244.335 0.298 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NC[C@H](O)C(F)(F)F ZINC000226320469 134360490 /nfs/dbraw/zinc/36/04/90/134360490.db2.gz UZHONXNVVRPIQW-RQJHMYQMSA-N 0 3 242.241 0.399 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCc1nncn1CC ZINC000226391867 134365074 /nfs/dbraw/zinc/36/50/74/134365074.db2.gz CDRLANHJSOLDAS-PSASIEDQSA-N 0 3 239.323 0.288 20 0 BCADHN COCCN1CCN(C[C@@H]2C[C@H]2C)CC1 ZINC000488310258 532966142 /nfs/dbraw/zinc/96/61/42/532966142.db2.gz GYFDTRZQMASWIN-NEPJUHHUSA-N 0 3 212.337 0.906 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@H]1CCO[C@H]1C ZINC000226699780 134368557 /nfs/dbraw/zinc/36/85/57/134368557.db2.gz KZNUHUQZMZXGFV-GUBZILKMSA-N 0 3 214.309 0.798 20 0 BCADHN COCCOCC(=O)N1CCC[C@@H]1CN(C)C ZINC000226839945 134369845 /nfs/dbraw/zinc/36/98/45/134369845.db2.gz WMRFKFOXFFUWHU-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN COC(=O)[C@H]1[C@@H](CNCC(C)(C)O)C1(F)F ZINC000894259596 583397387 /nfs/dbraw/zinc/39/73/87/583397387.db2.gz DEZRVCHHZLAKST-RNFRBKRXSA-N 0 3 237.246 0.401 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H](C)CCC(C)C ZINC000227350419 134378515 /nfs/dbraw/zinc/37/85/15/134378515.db2.gz YJSLWOVCXIVEPT-UWVGGRQHSA-N 0 3 216.325 0.901 20 0 BCADHN CCCCN(C(=O)[C@H](CN)OC)C1CC1 ZINC000227365384 134378833 /nfs/dbraw/zinc/37/88/33/134378833.db2.gz UVPJHPVBBBECBM-JTQLQIEISA-N 0 3 214.309 0.751 20 0 BCADHN CCCNC(=O)[C@@H](C)N[C@H]1COCC1(C)C ZINC000313071166 383827215 /nfs/dbraw/zinc/82/72/15/383827215.db2.gz FDPDXVUONPVPJL-ZJUUUORDSA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@H]1COCC1(C)C ZINC000313067992 383824179 /nfs/dbraw/zinc/82/41/79/383824179.db2.gz QYNYWJVQLVYCLW-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@@H](N)C(=O)NCC1CCC(F)CC1 ZINC000647097358 383825107 /nfs/dbraw/zinc/82/51/07/383825107.db2.gz LHJOPJILYKSWCG-AFPNSQJFSA-N 0 3 202.273 0.978 20 0 BCADHN C[C@H](N)C(=O)NCC1CCC(F)CC1 ZINC000647097359 383825898 /nfs/dbraw/zinc/82/58/98/383825898.db2.gz LHJOPJILYKSWCG-UEJVZZJDSA-N 0 3 202.273 0.978 20 0 BCADHN C[C@H](N[C@H]1CO[C@H](C)C1)C(=O)NCCF ZINC000647208775 383848422 /nfs/dbraw/zinc/84/84/22/383848422.db2.gz CTYMZURNWVTSQX-HRDYMLBCSA-N 0 3 218.272 0.228 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@@H](N)CC(C)C ZINC000237071655 383858239 /nfs/dbraw/zinc/85/82/39/383858239.db2.gz JMTYGELKWICKDX-IUCAKERBSA-N 0 3 230.308 0.285 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)CCCC(=O)OC ZINC000037813234 383861910 /nfs/dbraw/zinc/86/19/10/383861910.db2.gz ZWRSCDIFNMRRBU-GFCCVEGCSA-N 0 3 244.335 0.916 20 0 BCADHN C[C@H](CNC(=O)c1cnccc1N)N(C)C ZINC000088112525 383880706 /nfs/dbraw/zinc/88/07/06/383880706.db2.gz LKQVGMAFRXVMQM-MRVPVSSYSA-N 0 3 222.292 0.344 20 0 BCADHN OC[C@H]1CN(CC2=CCCC2)CC[C@H]1O ZINC000401064468 383864229 /nfs/dbraw/zinc/86/42/29/383864229.db2.gz GWIVTBJIEJQUGL-VXGBXAGGSA-N 0 3 211.305 0.772 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCC(=O)NC(C)(C)C ZINC000035661197 383866791 /nfs/dbraw/zinc/86/67/91/383866791.db2.gz VNKGEKVIRRDNRQ-SECBINFHSA-N 0 3 229.324 0.001 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000131862303 383873598 /nfs/dbraw/zinc/87/35/98/383873598.db2.gz XVXNZRRLRBIHKC-GUBZILKMSA-N 0 3 213.325 0.179 20 0 BCADHN Cc1c(CN[C@@H](C)CCCO)cnn1C ZINC000087358969 383830773 /nfs/dbraw/zinc/83/07/73/383830773.db2.gz SCSHEVGCRLIMSQ-VIFPVBQESA-N 0 3 211.309 0.979 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000227525120 134382927 /nfs/dbraw/zinc/38/29/27/134382927.db2.gz PBJDHPYGXPQQFV-WPRPVWTQSA-N 0 3 236.319 0.931 20 0 BCADHN Cc1n[nH]cc1CNCCCN1CCOCC1 ZINC000036901628 383918097 /nfs/dbraw/zinc/91/80/97/383918097.db2.gz RFNZOVNKZWTMJF-UHFFFAOYSA-N 0 3 238.335 0.530 20 0 BCADHN CN1CCC(O)(CNC(=O)C2CC=CC2)CC1 ZINC000334768508 383921996 /nfs/dbraw/zinc/92/19/96/383921996.db2.gz ZVLKDMLSSDJVKM-UHFFFAOYSA-N 0 3 238.331 0.526 20 0 BCADHN CN(C)[C@@H](CNC(=O)C1(N)CC1)c1ccccc1 ZINC000088130749 383881887 /nfs/dbraw/zinc/88/18/87/383881887.db2.gz VDILZFJZWMTDEF-LBPRGKRZSA-N 0 3 247.342 0.897 20 0 BCADHN COC[C@]1(C)CCN([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000560080086 383884063 /nfs/dbraw/zinc/88/40/63/383884063.db2.gz ZRDWHBDPMLZXIH-BXKDBHETSA-N 0 3 240.303 0.102 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]CC[NH2+]C2CC2)o1 ZINC000647209948 383888509 /nfs/dbraw/zinc/88/85/09/383888509.db2.gz APZXNWPWQREACB-UHFFFAOYSA-N 0 3 244.316 0.618 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000237104331 383888614 /nfs/dbraw/zinc/88/86/14/383888614.db2.gz XUSXTVPTRFPOFV-HTQZYQBOSA-N 0 3 230.308 0.285 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@@H]1CCCCN1 ZINC000237104519 383888866 /nfs/dbraw/zinc/88/88/66/383888866.db2.gz IEGAQWOPCCAGMY-BDAKNGLRSA-N 0 3 228.292 0.054 20 0 BCADHN CNC(=O)[C@H]1CCCCN1CCC(C)(C)O ZINC000408195018 383889536 /nfs/dbraw/zinc/88/95/36/383889536.db2.gz JZFJONKMKWKMBE-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CN(C)Cc1ccccc1CNS(C)(=O)=O ZINC000070247573 383897649 /nfs/dbraw/zinc/89/76/49/383897649.db2.gz IZDXIQQJPLKLNH-UHFFFAOYSA-N 0 3 242.344 0.797 20 0 BCADHN Cn1ccnc1CN1CCNC[C@@H]1C(F)F ZINC000569362414 383905878 /nfs/dbraw/zinc/90/58/78/383905878.db2.gz FYSBQMBJPXYCIN-MRVPVSSYSA-N 0 3 230.262 0.459 20 0 BCADHN FC(F)[C@@H]1CNCCN1CC[C@@H]1CCOC1 ZINC000569362380 383906283 /nfs/dbraw/zinc/90/62/83/383906283.db2.gz DHNDZTGLEMHTHD-ZJUUUORDSA-N 0 3 234.290 0.952 20 0 BCADHN CO[C@H](CN[C@]1(CO)CCOC1)C1CC1 ZINC000400241301 383980127 /nfs/dbraw/zinc/98/01/27/383980127.db2.gz WXGXEOHABDNTLE-MNOVXSKESA-N 0 3 215.293 0.152 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](C)Cn1ccnc1 ZINC000037621627 383991106 /nfs/dbraw/zinc/99/11/06/383991106.db2.gz CTVWITCYDLSTCQ-ZYHUDNBSSA-N 0 3 238.335 0.905 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](CO)C(C)(C)C ZINC000332456443 383994218 /nfs/dbraw/zinc/99/42/18/383994218.db2.gz HXGOUFRNFNRNQK-SNVBAGLBSA-N 0 3 230.352 0.850 20 0 BCADHN COC[C@H](O)CN[C@@H](C)c1cccnc1 ZINC000070558710 383942106 /nfs/dbraw/zinc/94/21/06/383942106.db2.gz NTYIOHABBRNLFJ-GXSJLCMTSA-N 0 3 210.277 0.740 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1ccccn1 ZINC000070558716 383942208 /nfs/dbraw/zinc/94/22/08/383942208.db2.gz HZUXDOLVACQITH-UWVGGRQHSA-N 0 3 210.277 0.740 20 0 BCADHN c1cnn(CCCNCc2cncnc2)c1 ZINC000157053322 383947832 /nfs/dbraw/zinc/94/78/32/383947832.db2.gz KJOXLSHJXGASQR-UHFFFAOYSA-N 0 3 217.276 0.853 20 0 BCADHN CCCN(CCC)CC(=O)NCC(=O)OC ZINC000175871982 383948487 /nfs/dbraw/zinc/94/84/87/383948487.db2.gz YUFLAKFMMHRHTL-UHFFFAOYSA-N 0 3 230.308 0.398 20 0 BCADHN CO[C@@]1(C)C[C@@H](NC(=O)C2(N)CC2)C1(C)C ZINC000237156165 383951160 /nfs/dbraw/zinc/95/11/60/383951160.db2.gz KKNVCQVXSVUUPW-KCJUWKMLSA-N 0 3 226.320 0.798 20 0 BCADHN CNS(=O)(=O)C[C@@H]1CCCN1C1CCCC1 ZINC000336460882 383952319 /nfs/dbraw/zinc/95/23/19/383952319.db2.gz QTIGRAOJVQZFLF-NSHDSACASA-N 0 3 246.376 0.943 20 0 BCADHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1ccc(=O)[nH]n1 ZINC000332431615 383955469 /nfs/dbraw/zinc/95/54/69/383955469.db2.gz HLPQICLOGDMIMP-UJNFCWOMSA-N 0 3 237.303 0.992 20 0 BCADHN CCN(C)CCNC(=O)c1cccc(C(N)=O)c1 ZINC000112926061 383957305 /nfs/dbraw/zinc/95/73/05/383957305.db2.gz NFHWOFOEKVGYJD-UHFFFAOYSA-N 0 3 249.314 0.467 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1ccnn1C ZINC000070905692 383957522 /nfs/dbraw/zinc/95/75/22/383957522.db2.gz HAWFOCKARATUQR-VIFPVBQESA-N 0 3 210.281 0.020 20 0 BCADHN COC(=O)[C@@](C)(O)CN(C)C[C@@H]1CCCO1 ZINC000070714407 383958880 /nfs/dbraw/zinc/95/88/80/383958880.db2.gz VSIYLMXXJWQZNK-ONGXEEELSA-N 0 3 231.292 0.021 20 0 BCADHN CCS(=O)(=O)C(C)C(=O)N(C)C(C)C ZINC000332437906 383966379 /nfs/dbraw/zinc/96/63/79/383966379.db2.gz DHTADPIRBSDSTJ-MRVPVSSYSA-N 0 3 221.322 0.676 20 0 BCADHN C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccncc1 ZINC000068802982 384016730 /nfs/dbraw/zinc/01/67/30/384016730.db2.gz ZRAMSRIDROFBPE-OCCSQVGLSA-N 0 3 248.374 0.978 20 0 BCADHN CC[C@@H](N)C(=O)N1CCCC[C@@H]1C(=O)OC ZINC000037804405 384020977 /nfs/dbraw/zinc/02/09/77/384020977.db2.gz LTULXDILQDGWOQ-RKDXNWHRSA-N 0 3 228.292 0.278 20 0 BCADHN COC[C@@H](O)CN[C@@H](CO)c1ccccc1 ZINC000068892060 384021439 /nfs/dbraw/zinc/02/14/39/384021439.db2.gz WUDNYYQSQXTIKW-RYUDHWBXSA-N 0 3 225.288 0.317 20 0 BCADHN CC[C@H](O)CNC(=O)CN(C)C(C)C ZINC000332487357 384025173 /nfs/dbraw/zinc/02/51/73/384025173.db2.gz PVDOQGKEDIREEL-VIFPVBQESA-N 0 3 202.298 0.214 20 0 BCADHN COc1ncncc1CNCCC1(CO)CC1 ZINC000647215539 384003620 /nfs/dbraw/zinc/00/36/20/384003620.db2.gz YDSXVGLYDGCXHM-UHFFFAOYSA-N 0 3 237.303 0.737 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)Cc2ncc[nH]2)C1 ZINC000518560297 384009583 /nfs/dbraw/zinc/00/95/83/384009583.db2.gz XRROEFDHOOIPHW-JTQLQIEISA-N 0 3 236.319 0.710 20 0 BCADHN C[C@H](O)[C@@H]1CCCN([C@@H](C)C(=O)NC2CC2)C1 ZINC000089930652 384010230 /nfs/dbraw/zinc/01/02/30/384010230.db2.gz ICQYIKRROSJKQG-GARJFASQSA-N 0 3 240.347 0.746 20 0 BCADHN O=C1NC[C@H]2CN(C[C@H]3CCCOC3)CCN12 ZINC000336495611 384010675 /nfs/dbraw/zinc/01/06/75/384010675.db2.gz VQZHFPGYZGPDQM-MNOVXSKESA-N 0 3 239.319 0.122 20 0 BCADHN CN(C)CCOc1ccc(NC(=O)CN)cc1 ZINC000037766027 384013101 /nfs/dbraw/zinc/01/31/01/384013101.db2.gz UHBXPKBBEQQPHE-UHFFFAOYSA-N 0 3 237.303 0.524 20 0 BCADHN CCC[C@@H](C)N1CCO[C@H](C(=O)NC)C1 ZINC000187720536 384015145 /nfs/dbraw/zinc/01/51/45/384015145.db2.gz IOTSDKLFVMLICE-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1C[C@@H](NCCC(C)(C)S(C)(=O)=O)CO1 ZINC000647217827 384046648 /nfs/dbraw/zinc/04/66/48/384046648.db2.gz HXGBLJNICJKTRY-NXEZZACHSA-N 0 3 249.376 0.967 20 0 BCADHN COC(=O)c1ccc(CN(C)CCO)cc1 ZINC000037855264 384028060 /nfs/dbraw/zinc/02/80/60/384028060.db2.gz DBOJNAKVYSCTPG-UHFFFAOYSA-N 0 3 223.272 0.897 20 0 BCADHN C[C@@H](N[C@@H](C)c1nnnn1C)[C@H]1CCOC1 ZINC000309584952 384031030 /nfs/dbraw/zinc/03/10/30/384031030.db2.gz RNOIJVYYJYPZPI-VGMNWLOBSA-N 0 3 225.296 0.286 20 0 BCADHN COc1ncncc1CNCCc1cn(C)cn1 ZINC000647217032 384033211 /nfs/dbraw/zinc/03/32/11/384033211.db2.gz WMHQOTUYXKZUOP-UHFFFAOYSA-N 0 3 247.302 0.551 20 0 BCADHN CN(C)CCNC(=O)[C@@H](O)c1ccccc1 ZINC000038435797 384084733 /nfs/dbraw/zinc/08/47/33/384084733.db2.gz GCMMVUTVTCJQTN-NSHDSACASA-N 0 3 222.288 0.398 20 0 BCADHN COC[C@H](O)CCN[C@@H](C)c1cnn(C)c1 ZINC000090949957 384087136 /nfs/dbraw/zinc/08/71/36/384087136.db2.gz VKQDRZIWYKKHSH-GXSJLCMTSA-N 0 3 227.308 0.468 20 0 BCADHN CC(=O)NCCCN[C@@H](C)c1cnccn1 ZINC000309405720 384060694 /nfs/dbraw/zinc/06/06/94/384060694.db2.gz HYOHBFXRCPQNDQ-VIFPVBQESA-N 0 3 222.292 0.653 20 0 BCADHN CSCCCN1CCNC(=O)C[C@H]1C ZINC000363460400 384060715 /nfs/dbraw/zinc/06/07/15/384060715.db2.gz CFYQKNHJSUXCKU-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN CC(C)[C@@](C)([NH2+]Cc1ncccc1[O-])C(N)=O ZINC000569469136 384090413 /nfs/dbraw/zinc/09/04/13/384090413.db2.gz NUQLSVVHSRKAEZ-GFCCVEGCSA-N 0 3 237.303 0.777 20 0 BCADHN NC(=O)Cn1cc(CN[C@@H]2CC[C@H]3C[C@H]3C2)nn1 ZINC000647257497 384061987 /nfs/dbraw/zinc/06/19/87/384061987.db2.gz HWLIUNCAIUMCCV-LPEHRKFASA-N 0 3 249.318 0.042 20 0 BCADHN O=C1[N-]C(=O)[C@]2(CC[N@@H+](C3CCCC3)C2)N1 ZINC000363460580 384062174 /nfs/dbraw/zinc/06/21/74/384062174.db2.gz GXBNAJDBMOOPLI-LLVKDONJSA-N 0 3 223.276 0.213 20 0 BCADHN O=C1[N-]C(=O)[C@]2(CC[N@H+](C3CCCC3)C2)N1 ZINC000363460580 384062181 /nfs/dbraw/zinc/06/21/81/384062181.db2.gz GXBNAJDBMOOPLI-LLVKDONJSA-N 0 3 223.276 0.213 20 0 BCADHN Cn1ccnc1CNCCN1CCCC1 ZINC000049900368 384067557 /nfs/dbraw/zinc/06/75/57/384067557.db2.gz XYTLWRTYLCFMGD-UHFFFAOYSA-N 0 3 208.309 0.606 20 0 BCADHN Cn1cc(CCNCc2ccc(CO)o2)cn1 ZINC000090714620 384071986 /nfs/dbraw/zinc/07/19/86/384071986.db2.gz XEOZBMDUSPTPII-UHFFFAOYSA-N 0 3 235.287 0.838 20 0 BCADHN C[C@H](NC[C@@]1(O)CCOC1)c1ccncc1 ZINC000090848853 384079742 /nfs/dbraw/zinc/07/97/42/384079742.db2.gz GFGXAWKRQBGWMM-JQWIXIFHSA-N 0 3 222.288 0.884 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]CC[C@H](C)O)n1 ZINC000078780823 384080694 /nfs/dbraw/zinc/08/06/94/384080694.db2.gz WQHGFMOXSIMRFD-VIFPVBQESA-N 0 3 210.277 0.956 20 0 BCADHN O=C(CN1CCNC[C@H]1C(F)F)NCC1CC1 ZINC000569485006 384109161 /nfs/dbraw/zinc/10/91/61/384109161.db2.gz DYOGYNIVCDUDGP-VIFPVBQESA-N 0 3 247.289 0.052 20 0 BCADHN Cc1ccc(CNC(=O)C[C@H]2CNCCO2)cc1 ZINC000091299148 384113972 /nfs/dbraw/zinc/11/39/72/384113972.db2.gz KSIPBBUPDIGRHA-ZDUSSCGKSA-N 0 3 248.326 0.990 20 0 BCADHN CNS(=O)(=O)C1CCN(C(C)C)CC1 ZINC000336553102 384115369 /nfs/dbraw/zinc/11/53/69/384115369.db2.gz RPYSTYWDECHUFQ-UHFFFAOYSA-N 0 3 220.338 0.408 20 0 BCADHN C[C@@H]1OCC[C@@H]1NC[C@@H](O)C(F)(F)F ZINC000227826847 134390089 /nfs/dbraw/zinc/39/00/89/134390089.db2.gz UUONINLBPDQSGY-LYFYHCNISA-N 0 3 213.199 0.677 20 0 BCADHN CC[C@H]1CN(C[C@](C)(O)C(=O)OC)CCCO1 ZINC000304161084 384133996 /nfs/dbraw/zinc/13/39/96/384133996.db2.gz LRGMTJUOJBAWIU-JQWIXIFHSA-N 0 3 245.319 0.411 20 0 BCADHN C[C@H](NCCOCCO)c1cncs1 ZINC000132197830 384135409 /nfs/dbraw/zinc/13/54/09/384135409.db2.gz VCYMTSQVDIVIKQ-QMMMGPOBSA-N 0 3 216.306 0.803 20 0 BCADHN CCOC[C@@H](O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000302267457 384120899 /nfs/dbraw/zinc/12/08/99/384120899.db2.gz CNYWAHAVIRZUDG-GXSJLCMTSA-N 0 3 242.323 0.331 20 0 BCADHN O=C1NCCC[C@@H]1N1CCC2(C1)CCOCC2 ZINC000336553830 384124858 /nfs/dbraw/zinc/12/48/58/384124858.db2.gz JLJHACWPYDUMAK-NSHDSACASA-N 0 3 238.331 0.768 20 0 BCADHN CCN(CCO)Cc1ccc(CO)cc1 ZINC000084896445 384124856 /nfs/dbraw/zinc/12/48/56/384124856.db2.gz CPEMRSQBZGDVGP-UHFFFAOYSA-N 0 3 209.289 0.993 20 0 BCADHN CC(C)[C@@H](CCO)N[C@@H](C)CS(C)(=O)=O ZINC000132216738 384148789 /nfs/dbraw/zinc/14/87/89/384148789.db2.gz RASAHAPQYXYGCE-VHSXEESVSA-N 0 3 237.365 0.416 20 0 BCADHN COC[C@@H](O)CNCc1cnn(C(C)(C)C)c1 ZINC000071265332 384156099 /nfs/dbraw/zinc/15/60/99/384156099.db2.gz OWBLHFGFSWCGEO-NSHDSACASA-N 0 3 241.335 0.735 20 0 BCADHN C[C@@H](NC[C@H]1CN(C)CCO1)c1cnn(C)c1 ZINC000091666993 384138270 /nfs/dbraw/zinc/13/82/70/384138270.db2.gz WNRKBJRFHDQBNS-PWSUYJOCSA-N 0 3 238.335 0.401 20 0 BCADHN CSC1(CNCC(=O)NC(C)C)CC1 ZINC000235096719 134394817 /nfs/dbraw/zinc/39/48/17/134394817.db2.gz YHWCJFNXGAGIJV-UHFFFAOYSA-N 0 3 216.350 0.996 20 0 BCADHN O=C1NCCCC[C@H]1NCc1cc[nH]c1 ZINC000080773494 384175080 /nfs/dbraw/zinc/17/50/80/384175080.db2.gz JJWBDONEFHISKV-SNVBAGLBSA-N 0 3 207.277 0.773 20 0 BCADHN Cn1cc(CN2CCCCC2)c(=O)n(C)c1=O ZINC000092107356 384161523 /nfs/dbraw/zinc/16/15/23/384161523.db2.gz RFSYJDLAUCVYKL-UHFFFAOYSA-N 0 3 237.303 0.070 20 0 BCADHN CS[C@@H](CO)[C@H](C)NCc1ccnn1C ZINC000080204126 384162461 /nfs/dbraw/zinc/16/24/61/384162461.db2.gz NEBVKVQNZUOMGU-WPRPVWTQSA-N 0 3 229.349 0.622 20 0 BCADHN C[C@H]1C[C@H](NCCCS(C)(=O)=O)CO1 ZINC000401865667 384163476 /nfs/dbraw/zinc/16/34/76/384163476.db2.gz JXDDVIMZVUZMJG-IUCAKERBSA-N 0 3 221.322 0.188 20 0 BCADHN CCOCC(=O)NC[C@@H](C)N1CCCC1 ZINC000092253062 384165287 /nfs/dbraw/zinc/16/52/87/384165287.db2.gz JVKBMFRITWMWGD-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CCN(CCCNC(=O)CN)c1ccccc1 ZINC000040833107 384165877 /nfs/dbraw/zinc/16/58/77/384165877.db2.gz DPRFVOQYDQBMQK-UHFFFAOYSA-N 0 3 235.331 0.978 20 0 BCADHN CC[C@@H]1CCN1CCC(=O)NC(=O)NC ZINC000408382190 384179305 /nfs/dbraw/zinc/17/93/05/384179305.db2.gz PURKLHBQOZQQCJ-MRVPVSSYSA-N 0 3 213.281 0.316 20 0 BCADHN COC(=O)c1cc(CN2CCC[C@H]2CO)c[nH]1 ZINC000092455939 384179422 /nfs/dbraw/zinc/17/94/22/384179422.db2.gz GDHSBNSWNBNVPE-JTQLQIEISA-N 0 3 238.287 0.758 20 0 BCADHN CO[C@H](C)[C@H](C)NCC(=O)NC(C)(C)C ZINC000132319023 384185954 /nfs/dbraw/zinc/18/59/54/384185954.db2.gz OIKXNXCGDHUDMP-DTWKUNHWSA-N 0 3 216.325 0.914 20 0 BCADHN CNC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000132677511 384201216 /nfs/dbraw/zinc/20/12/16/384201216.db2.gz WZOUPCJRBDSYKI-GDPRMGEGSA-N 0 3 224.304 0.280 20 0 BCADHN C[C@H](CO)CN1CCC(F)(F)[C@@H](CO)C1 ZINC000403903795 384201850 /nfs/dbraw/zinc/20/18/50/384201850.db2.gz LWVVEJOKMDNKES-DTWKUNHWSA-N 0 3 223.263 0.564 20 0 BCADHN CC(C)NC(=O)NC[C@](C)(O)CN(C)C ZINC000132702456 384203228 /nfs/dbraw/zinc/20/32/28/384203228.db2.gz WHHYUQBPXMAYLL-JTQLQIEISA-N 0 3 217.313 0.007 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)NC(C)(C)C ZINC000132704535 384203244 /nfs/dbraw/zinc/20/32/44/384203244.db2.gz KSDSUZOWMVLFBV-NSHDSACASA-N 0 3 231.340 0.397 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC1CCOCC1 ZINC000036319699 384206345 /nfs/dbraw/zinc/20/63/45/384206345.db2.gz NPIXIFLIVHSGQF-SECBINFHSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000031962212 384187709 /nfs/dbraw/zinc/18/77/09/384187709.db2.gz YQEHMZAIPPFTLY-SECBINFHSA-N 0 3 234.303 0.968 20 0 BCADHN Cc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000036285479 384189325 /nfs/dbraw/zinc/18/93/25/384189325.db2.gz ZKULYIIHMXQXKS-LBPRGKRZSA-N 0 3 234.299 0.713 20 0 BCADHN CC(C)(C)[C@H](NCCn1cccn1)C(N)=O ZINC000081625611 384194478 /nfs/dbraw/zinc/19/44/78/384194478.db2.gz MBUFROQMPVKBTD-SECBINFHSA-N 0 3 224.308 0.373 20 0 BCADHN COCC[C@H](C)NC(=O)[C@H](N)C(C)C ZINC000081710469 384197839 /nfs/dbraw/zinc/19/78/39/384197839.db2.gz HYPDWIKQASDJCU-DTWKUNHWSA-N 0 3 202.298 0.511 20 0 BCADHN COCC[C@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000081711547 384197946 /nfs/dbraw/zinc/19/79/46/384197946.db2.gz VWDOSIXADCYHDZ-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN COCC[C@H](C)NC[C@H](O)C(F)(F)F ZINC000081713077 384198816 /nfs/dbraw/zinc/19/88/16/384198816.db2.gz QIUDNPTYDIFKFU-BQBZGAKWSA-N 0 3 215.215 0.924 20 0 BCADHN COCC[C@H](C)NC(=O)[C@@H](N)CCSC ZINC000081710499 384199125 /nfs/dbraw/zinc/19/91/25/384199125.db2.gz DHUXJGOJUYUDJX-IUCAKERBSA-N 0 3 234.365 0.608 20 0 BCADHN CNC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000132677901 384200079 /nfs/dbraw/zinc/20/00/79/384200079.db2.gz WZOUPCJRBDSYKI-IEBDPFPHSA-N 0 3 224.304 0.280 20 0 BCADHN COCC[C@H](CO)NCc1ccc(COC)o1 ZINC000282308254 384231502 /nfs/dbraw/zinc/23/15/02/384231502.db2.gz SGFWRCGRAIHRKD-SNVBAGLBSA-N 0 3 243.303 0.913 20 0 BCADHN CO[C@H](C(=O)N[C@H]1CCN(C2CC2)C1)C1CC1 ZINC000471888985 533048925 /nfs/dbraw/zinc/04/89/25/533048925.db2.gz RZZJTLLLNGAKOF-JQWIXIFHSA-N 0 3 238.331 0.764 20 0 BCADHN COC(=O)CNC(=O)CN1CCC[C@H]1C1CC1 ZINC000363384606 384233428 /nfs/dbraw/zinc/23/34/28/384233428.db2.gz NAJMZAMEXLHTSL-JTQLQIEISA-N 0 3 240.303 0.150 20 0 BCADHN CCN(CCOCCO)C[C@H]1CC[C@H](C)O1 ZINC000304193485 384233978 /nfs/dbraw/zinc/23/39/78/384233978.db2.gz AYTBGBBICTWMFZ-NWDGAFQWSA-N 0 3 231.336 0.885 20 0 BCADHN CN(C(=O)[C@H]1NCC1(C)C)c1ccn(C)n1 ZINC000644159909 384237250 /nfs/dbraw/zinc/23/72/50/384237250.db2.gz SSLVKNKPXBEASF-SECBINFHSA-N 0 3 222.292 0.381 20 0 BCADHN CC[C@@H](CO)N(C)CCc1cnccn1 ZINC000402904297 384238427 /nfs/dbraw/zinc/23/84/27/384238427.db2.gz MZAARMOFBWCIPW-NSHDSACASA-N 0 3 209.293 0.722 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H]1CCCOC1 ZINC000081901210 384210472 /nfs/dbraw/zinc/21/04/72/384210472.db2.gz JIPNFKLGAULFNZ-DTWKUNHWSA-N 0 3 221.322 0.188 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@H]1CCCO1 ZINC000081898886 384211110 /nfs/dbraw/zinc/21/11/10/384211110.db2.gz HUXQRKBVDGMZHY-DTWKUNHWSA-N 0 3 221.322 0.188 20 0 BCADHN CCCCOCCN[C@@H](C)CS(C)(=O)=O ZINC000081900790 384211359 /nfs/dbraw/zinc/21/13/59/384211359.db2.gz NBHFNRRSMBJLKU-JTQLQIEISA-N 0 3 237.365 0.826 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000158224449 384212911 /nfs/dbraw/zinc/21/29/11/384212911.db2.gz XQZUPALVCOJXLN-KOLCDFICSA-N 0 3 222.288 0.053 20 0 BCADHN C[C@]1(NC(=O)C[C@H]2CSCCN2)CCOC1 ZINC000119128833 384240294 /nfs/dbraw/zinc/24/02/94/384240294.db2.gz ZJHOODJQYRAQJA-ONGXEEELSA-N 0 3 244.360 0.377 20 0 BCADHN CN(C[C@H](O)CSc1nncn1C)C1CC1 ZINC000331485979 384218761 /nfs/dbraw/zinc/21/87/61/384218761.db2.gz OQZSALHFQDKVKR-VIFPVBQESA-N 0 3 242.348 0.362 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000560559037 384223174 /nfs/dbraw/zinc/22/31/74/384223174.db2.gz WWFXPHBZKNOVQD-IJLUTSLNSA-N 0 3 242.363 0.848 20 0 BCADHN C[C@H]1c2nncn2CCN1C(=O)[C@H]1NCC1(C)C ZINC000644158949 384225530 /nfs/dbraw/zinc/22/55/30/384225530.db2.gz BONPWLADVCECKV-DTWKUNHWSA-N 0 3 249.318 0.179 20 0 BCADHN CN(C)CC(=O)N1CCN(CC2CCC2)CC1 ZINC000173520734 384226169 /nfs/dbraw/zinc/22/61/69/384226169.db2.gz ZFPFIOYQHAHMGY-UHFFFAOYSA-N 0 3 239.363 0.492 20 0 BCADHN CCN(CCOCCO)Cc1ccncc1 ZINC000042516551 384227229 /nfs/dbraw/zinc/22/72/29/384227229.db2.gz SBCUARNAKZIQQG-UHFFFAOYSA-N 0 3 224.304 0.912 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2NCC2(C)C)CCO1 ZINC000644158187 384227505 /nfs/dbraw/zinc/22/75/05/384227505.db2.gz QXVFYGLJGBIIGF-KXUCPTDWSA-N 0 3 226.320 0.668 20 0 BCADHN COCCN(CCO)CCC(=O)OC(C)C ZINC000173628243 384246464 /nfs/dbraw/zinc/24/64/64/384246464.db2.gz RXMBGDMBNIJDOL-UHFFFAOYSA-N 0 3 233.308 0.269 20 0 BCADHN Cc1nocc1CNCCn1ccnc1 ZINC000294179483 384277079 /nfs/dbraw/zinc/27/70/79/384277079.db2.gz QKDFRHNRWOCCNM-UHFFFAOYSA-N 0 3 206.249 0.969 20 0 BCADHN CC[C@@](C)(CN[C@@H](CO)COC)OC ZINC000319449816 384249254 /nfs/dbraw/zinc/24/92/54/384249254.db2.gz MYLOBQJTNKVRDV-UWVGGRQHSA-N 0 3 205.298 0.398 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)C[C@H](O)c1ccccc1 ZINC000119231916 384249840 /nfs/dbraw/zinc/24/98/40/384249840.db2.gz HYNKPHZRCKHMQD-NHCYSSNCSA-N 0 3 236.315 0.962 20 0 BCADHN CC(=O)c1cnc(NC(=O)[C@@H](C)CN)s1 ZINC000261593120 384277291 /nfs/dbraw/zinc/27/72/91/384277291.db2.gz WOIOWNODOYSSFO-YFKPBYRVSA-N 0 3 227.289 0.879 20 0 BCADHN Cn1cncc1CN[C@@H]1CCCC[C@H]1O ZINC000082717536 384258516 /nfs/dbraw/zinc/25/85/16/384258516.db2.gz NALCAFMIAJBLEN-GHMZBOCLSA-N 0 3 209.293 0.813 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000119333548 384260992 /nfs/dbraw/zinc/26/09/92/384260992.db2.gz FALNCJSPWVWDGY-ADEWGFFLSA-N 0 3 234.299 0.980 20 0 BCADHN CCC[C@H](N)C(=O)Nc1ccc(N)nc1 ZINC000261593139 384277961 /nfs/dbraw/zinc/27/79/61/384277961.db2.gz WQGPTXALGDGMKX-QMMMGPOBSA-N 0 3 208.265 0.730 20 0 BCADHN O=C1NC[C@H]2CN(C/C=C/Cl)CC[C@H]12 ZINC000368245795 384274491 /nfs/dbraw/zinc/27/44/91/384274491.db2.gz YRQINGPTIPXSRO-PFBVDLENSA-N 0 3 214.696 0.807 20 0 BCADHN CCO[C@H]1C[C@H](NCC(N)=O)C12CCC2 ZINC000083684626 384322465 /nfs/dbraw/zinc/32/24/65/384322465.db2.gz BXWFMDWECVMKBW-IUCAKERBSA-N 0 3 212.293 0.409 20 0 BCADHN C[C@H](CC[NH+](C)C)NC(=O)c1cc(=O)[n-]cn1 ZINC000625568176 384314731 /nfs/dbraw/zinc/31/47/31/384314731.db2.gz RRSITSBARMETIQ-MRVPVSSYSA-N 0 3 238.291 0.252 20 0 BCADHN C[C@@H](CO)NCc1ccc(S(C)(=O)=O)cc1 ZINC000082550997 384317406 /nfs/dbraw/zinc/31/74/06/384317406.db2.gz IAUFKEKMODZJJD-VIFPVBQESA-N 0 3 243.328 0.561 20 0 BCADHN C[C@H](N[C@@H]1CO[C@H](C)C1)C(=O)N(C)C ZINC000401946720 384317783 /nfs/dbraw/zinc/31/77/83/384317783.db2.gz RQQQJXVAJVKBCN-VGMNWLOBSA-N 0 3 200.282 0.230 20 0 BCADHN CC(C)OC[C@H](O)CN1CC[C@](C)(O)C1 ZINC000300011058 384279385 /nfs/dbraw/zinc/27/93/85/384279385.db2.gz BPEXROSWHCKBFL-MNOVXSKESA-N 0 3 217.309 0.229 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N1CC[C@@H](C)[C@@H]1C ZINC000248369246 384279795 /nfs/dbraw/zinc/27/97/95/384279795.db2.gz WAYXKPBWYOJLBA-UTLUCORTSA-N 0 3 242.319 0.394 20 0 BCADHN CC1(C)CN(CCc2cnccn2)C[C@@H]1O ZINC000402940502 384282725 /nfs/dbraw/zinc/28/27/25/384282725.db2.gz XQPZENLUQVNGCI-NSHDSACASA-N 0 3 221.304 0.722 20 0 BCADHN C[C@H](CO)N(C)Cc1cccc(C(N)=O)c1 ZINC000158880767 384283640 /nfs/dbraw/zinc/28/36/40/384283640.db2.gz BNVPSWNEOGIWAJ-SECBINFHSA-N 0 3 222.288 0.598 20 0 BCADHN CN(C)CCNC(=O)NCCCn1ccnc1 ZINC000133319192 384284527 /nfs/dbraw/zinc/28/45/27/384284527.db2.gz CFUNFVGHPFERCQ-UHFFFAOYSA-N 0 3 239.323 0.134 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@H]1COc2ccccc2C1 ZINC000643645357 384287108 /nfs/dbraw/zinc/28/71/08/384287108.db2.gz RNVFJWQGPGJEEB-OUAUKWLOSA-N 0 3 232.283 0.454 20 0 BCADHN CN(CCNS(C)(=O)=O)C1CCC1 ZINC000173915868 384287411 /nfs/dbraw/zinc/28/74/11/384287411.db2.gz IBMUEELHYZBLTO-UHFFFAOYSA-N 0 3 206.311 0.020 20 0 BCADHN Cc1ccccc1[C@H](N)C(=O)NCc1nc[nH]n1 ZINC000648150647 384293413 /nfs/dbraw/zinc/29/34/13/384293413.db2.gz XUNNQGDPHLXDJE-NSHDSACASA-N 0 3 245.286 0.429 20 0 BCADHN Cc1ccccc1[C@H](N)C(=O)NCc1nnc[nH]1 ZINC000648150647 384293421 /nfs/dbraw/zinc/29/34/21/384293421.db2.gz XUNNQGDPHLXDJE-NSHDSACASA-N 0 3 245.286 0.429 20 0 BCADHN CC[C@@H](O)CN1CCN(CCCCCO)CC1 ZINC000174077860 384300014 /nfs/dbraw/zinc/30/00/14/384300014.db2.gz QXMLOSMVYZTZEV-CYBMUJFWSA-N 0 3 244.379 0.538 20 0 BCADHN CCC1(C(=O)NCC2(O)CCN(C)CC2)CC1 ZINC000332154267 384303271 /nfs/dbraw/zinc/30/32/71/384303271.db2.gz PIJFJGCTAJMHQF-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1C[C@H](C)C[C@H](O)C1 ZINC000332126061 384303609 /nfs/dbraw/zinc/30/36/09/384303609.db2.gz IOJMUPMTTFNVKR-YWVKMMECSA-N 0 3 226.320 0.356 20 0 BCADHN C[C@@H](NCCc1cn(C)nn1)c1cnn(C)c1 ZINC000647323586 384337541 /nfs/dbraw/zinc/33/75/41/384337541.db2.gz BTVYLBYODXZDMI-SECBINFHSA-N 0 3 234.307 0.442 20 0 BCADHN C[C@H](NCC(C)(C)C(N)=O)c1cnccn1 ZINC000228806012 384337858 /nfs/dbraw/zinc/33/78/58/384337858.db2.gz HXGZROQJPLLTDR-QMMMGPOBSA-N 0 3 222.292 0.639 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@@H](CO)C1CC1 ZINC000359655489 384337918 /nfs/dbraw/zinc/33/79/18/384337918.db2.gz ULAXROVAXDOJOV-ONGXEEELSA-N 0 3 243.351 0.254 20 0 BCADHN C[C@@H](NCCC(=O)N(C)C)c1cnn(C)c1 ZINC000044499032 384339770 /nfs/dbraw/zinc/33/97/70/384339770.db2.gz SONBYQBZQKPQQK-SECBINFHSA-N 0 3 224.308 0.549 20 0 BCADHN CCC[C@@H]1CN(CCCO)CCN1CCOC ZINC000305725900 384343198 /nfs/dbraw/zinc/34/31/98/384343198.db2.gz LLEUMXDGVNBCBU-CYBMUJFWSA-N 0 3 244.379 0.802 20 0 BCADHN CC(=O)Nc1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000334147972 384351359 /nfs/dbraw/zinc/35/13/59/384351359.db2.gz XGFQDFZDQBHIHX-LLVKDONJSA-N 0 3 233.271 0.945 20 0 BCADHN CN(C)[C@]1(CNC(=O)C2CC2)CCSC1 ZINC000359672166 384351454 /nfs/dbraw/zinc/35/14/54/384351454.db2.gz BMCOGHRKMATLBS-NSHDSACASA-N 0 3 228.361 0.950 20 0 BCADHN N[C@H](CC(F)F)C(=O)NCCC1CC1 ZINC000336700288 384351609 /nfs/dbraw/zinc/35/16/09/384351609.db2.gz XAHFBPMOPJHDHO-SSDOTTSWSA-N 0 3 206.236 0.885 20 0 BCADHN CCCC[C@@H](N)C(=O)NCc1c[nH]cn1 ZINC000084081081 384361947 /nfs/dbraw/zinc/36/19/47/384361947.db2.gz LJIATZVFRGTPKT-SECBINFHSA-N 0 3 210.281 0.543 20 0 BCADHN CCN(C)CCNC(=O)c1coc(CN)c1 ZINC000188132264 384362685 /nfs/dbraw/zinc/36/26/85/384362685.db2.gz UHEKSOULXSBZRP-UHFFFAOYSA-N 0 3 225.292 0.420 20 0 BCADHN C[C@@H]1OCC[C@]1(C)NCC(=O)N(C)C ZINC000300367073 384365800 /nfs/dbraw/zinc/36/58/00/384365800.db2.gz MJVQADKTKWXWDR-WPRPVWTQSA-N 0 3 200.282 0.232 20 0 BCADHN NCc1cc(C(=O)N2CCN3CCC[C@H]3C2)co1 ZINC000188192218 384369102 /nfs/dbraw/zinc/36/91/02/384369102.db2.gz UNDXBQDKPCCRGB-NSHDSACASA-N 0 3 249.314 0.659 20 0 BCADHN COC(=O)[C@@H]1CCN(CCn2ccnc2C)C1 ZINC000095020703 384327678 /nfs/dbraw/zinc/32/76/78/384327678.db2.gz XNPVHRMXJHXPIK-LLVKDONJSA-N 0 3 237.303 0.686 20 0 BCADHN CN(CCNc1ccc(C(N)=O)nn1)C1CC1 ZINC000095011373 384327941 /nfs/dbraw/zinc/32/79/41/384327941.db2.gz SKBZUJGSHAGUQY-UHFFFAOYSA-N 0 3 235.291 0.082 20 0 BCADHN CS(=O)(=O)NCCN(CC1CC1)C1CC1 ZINC000076390882 384373326 /nfs/dbraw/zinc/37/33/26/384373326.db2.gz ZIJFJVFSNTYVJF-UHFFFAOYSA-N 0 3 232.349 0.410 20 0 BCADHN CN(C(=O)[C@H]1CCCOC1)[C@@H]1CCCN(C)C1 ZINC000247349178 384399876 /nfs/dbraw/zinc/39/98/76/384399876.db2.gz JOHDXBUPDBOUHL-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)c1ncc(CNC[C@@H](O)CO)s1 ZINC000308887114 384404662 /nfs/dbraw/zinc/40/46/62/384404662.db2.gz WCXCBAWRRGUBMA-MRVPVSSYSA-N 0 3 230.333 0.709 20 0 BCADHN C[C@@H](NCCCc1ncn(C)n1)c1cn[nH]c1 ZINC000647327302 384416114 /nfs/dbraw/zinc/41/61/14/384416114.db2.gz XYMLYAMBYCFJBC-SECBINFHSA-N 0 3 234.307 0.822 20 0 BCADHN C[C@H](NCC(=O)N(C)C)[C@@H]1CCCO1 ZINC000035735895 384417430 /nfs/dbraw/zinc/41/74/30/384417430.db2.gz BBFIBHPTCKHWAQ-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)COC1CNC1 ZINC000309509452 384427374 /nfs/dbraw/zinc/42/73/74/384427374.db2.gz OQOMULKSASIKPD-SECBINFHSA-N 0 3 214.309 0.479 20 0 BCADHN CC(C)(O)CCC(=O)N1CCNC(C)(C)C1 ZINC000335604050 384376168 /nfs/dbraw/zinc/37/61/68/384376168.db2.gz HSQFPMKNMDGZBB-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H](NCCCc1ncn(C)n1)c1cnn(C)c1 ZINC000647325996 384376289 /nfs/dbraw/zinc/37/62/89/384376289.db2.gz VCJKXFKMKMKUJQ-SNVBAGLBSA-N 0 3 248.334 0.832 20 0 BCADHN CCOC1CC(CCNC(=O)[C@H](C)N)C1 ZINC000564993465 384378199 /nfs/dbraw/zinc/37/81/99/384378199.db2.gz XVSGFSUTSGZXBL-IDKOKCKLSA-N 0 3 214.309 0.655 20 0 BCADHN O=C(CCNCc1cccnc1)N1CCOCC1 ZINC000159263950 384380025 /nfs/dbraw/zinc/38/00/25/384380025.db2.gz MUWSZYYFYHYHLR-UHFFFAOYSA-N 0 3 249.314 0.420 20 0 BCADHN CC1(C)CC(NCC(=O)N2CCOCC2)C1 ZINC000335608545 384383917 /nfs/dbraw/zinc/38/39/17/384383917.db2.gz UNMUOXBZWSBHPP-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@H](OC)C1 ZINC000219564953 384386186 /nfs/dbraw/zinc/38/61/86/384386186.db2.gz PKSIYLLAKFNFMA-RKDXNWHRSA-N 0 3 200.282 0.361 20 0 BCADHN C[C@]1(C(=O)N2CCNC(C)(C)C2)C[C@H]1F ZINC000335617786 384389399 /nfs/dbraw/zinc/38/93/99/384389399.db2.gz MUQCXKAAKGWKCZ-KCJUWKMLSA-N 0 3 214.284 0.945 20 0 BCADHN CC1(OCC(=O)N[C@@H]2C[C@H]2C2CCC2)CNC1 ZINC000648179861 384451081 /nfs/dbraw/zinc/45/10/81/384451081.db2.gz CYPVBVCABNFRST-WDEREUQCSA-N 0 3 238.331 0.670 20 0 BCADHN CN(C)CCNC(=O)CC[C@@H]1CCOC1 ZINC000175518724 384451541 /nfs/dbraw/zinc/45/15/41/384451541.db2.gz SXKFSZFOYOZPFB-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN CCC[C@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000036285269 384453101 /nfs/dbraw/zinc/45/31/01/384453101.db2.gz ZPVKXXLAVIQPQI-VHSXEESVSA-N 0 3 214.309 0.527 20 0 BCADHN C[C@@H](CN[C@@H]1COC(C)(C)C1)S(C)(=O)=O ZINC000521372172 384427574 /nfs/dbraw/zinc/42/75/74/384427574.db2.gz ZRKKVDPJIRALRV-IUCAKERBSA-N 0 3 235.349 0.577 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000181017483 384430925 /nfs/dbraw/zinc/43/09/25/384430925.db2.gz CRBIKRWXLFPTBH-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN CCOCCNC(=O)[C@@H]1CCCCN1 ZINC000036230149 384434452 /nfs/dbraw/zinc/43/44/52/384434452.db2.gz MBZHCDQWMYLUFD-VIFPVBQESA-N 0 3 200.282 0.281 20 0 BCADHN CCS(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000082605312 384434523 /nfs/dbraw/zinc/43/45/23/384434523.db2.gz RRKFWPNJFDWEGG-VIFPVBQESA-N 0 3 220.338 0.268 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCCCC2)[C@H]1CO ZINC000248962852 384436658 /nfs/dbraw/zinc/43/66/58/384436658.db2.gz RGPGVYBSHPCNJQ-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN CCN1CCN(CC[C@H]2CCNC2=O)[C@@H](C)C1 ZINC000566423260 384439126 /nfs/dbraw/zinc/43/91/26/384439126.db2.gz COFQHIGWDMDHOU-NWDGAFQWSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@@H](O)CN[C@@H](C)[C@@H](O)C(F)(F)F ZINC000647514978 384443611 /nfs/dbraw/zinc/44/36/11/384443611.db2.gz KKWFSFQKIBXOIF-NGJCXOISSA-N 0 3 201.188 0.269 20 0 BCADHN CCN(CC(=O)NC(C)(C)C)CC(C)(C)O ZINC000078747871 384460707 /nfs/dbraw/zinc/46/07/07/384460707.db2.gz WEZAISCUWXGJNJ-UHFFFAOYSA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@H](N)C(=O)N1CCOC[C@@H]1CC ZINC000036871910 384461749 /nfs/dbraw/zinc/46/17/49/384461749.db2.gz LRANHCPQWUMYMR-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@H](O)c1cccc(F)c1 ZINC000135722515 384461730 /nfs/dbraw/zinc/46/17/30/384461730.db2.gz VLODWAFWPOCTFZ-KWQFWETISA-N 0 3 240.278 0.713 20 0 BCADHN CC[C@@H](N)C(=O)N(C)[C@H]1CCSC1 ZINC000036871636 384463442 /nfs/dbraw/zinc/46/34/42/384463442.db2.gz LMORRVXRTHIQAF-JGVFFNPUSA-N 0 3 202.323 0.688 20 0 BCADHN C[C@H](CC(N)=O)NC[C@H](O)c1ccccc1 ZINC000135806301 384465509 /nfs/dbraw/zinc/46/55/09/384465509.db2.gz LXDVSTPUJLBCDC-KOLCDFICSA-N 0 3 222.288 0.574 20 0 BCADHN C[C@H]1NCCN(C(=O)Cc2ccncc2)[C@H]1C ZINC000335662300 384467773 /nfs/dbraw/zinc/46/77/73/384467773.db2.gz IPQPYIXBYAWARD-MNOVXSKESA-N 0 3 233.315 0.833 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)n(C)n1 ZINC000262796387 384474201 /nfs/dbraw/zinc/47/42/01/384474201.db2.gz OJZDHEBAGMSKPT-UWVGGRQHSA-N 0 3 236.319 0.551 20 0 BCADHN CCn1cnnc1NC(=O)[C@@H]1CCN(C)C1 ZINC000556761653 384474520 /nfs/dbraw/zinc/47/45/20/384474520.db2.gz PSBUXJSHVJCEHV-MRVPVSSYSA-N 0 3 223.280 0.188 20 0 BCADHN COc1ncccc1C(=O)NCCN(C)C ZINC000096787483 384477927 /nfs/dbraw/zinc/47/79/27/384477927.db2.gz GQDCYBCGUTXTBP-UHFFFAOYSA-N 0 3 223.276 0.382 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCSC1)c1cnn(C)c1 ZINC000122384010 384480311 /nfs/dbraw/zinc/48/03/11/384480311.db2.gz JBNOUFRINKOVHE-KOLCDFICSA-N 0 3 241.360 0.939 20 0 BCADHN CC[C@@H](COC)NC(=O)C1(N)CCOCC1 ZINC000149733847 384482405 /nfs/dbraw/zinc/48/24/05/384482405.db2.gz XNNLFZNIXPYMDX-VIFPVBQESA-N 0 3 230.308 0.036 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](C)C(=O)OCC ZINC000427185644 384459164 /nfs/dbraw/zinc/45/91/64/384459164.db2.gz OJKNFJZJRDHYQF-JTQLQIEISA-N 0 3 244.335 0.644 20 0 BCADHN Cc1ccsc1CNC[C@@H](O)CO ZINC000085246564 384511539 /nfs/dbraw/zinc/51/15/39/384511539.db2.gz IJSDPBPBMRUCNU-MRVPVSSYSA-N 0 3 201.291 0.499 20 0 BCADHN Cc1ccsc1CNC[C@H](O)CO ZINC000085246562 384511750 /nfs/dbraw/zinc/51/17/50/384511750.db2.gz IJSDPBPBMRUCNU-QMMMGPOBSA-N 0 3 201.291 0.499 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCC[C@]2(C)CO)C1 ZINC000568206016 384500392 /nfs/dbraw/zinc/50/03/92/384500392.db2.gz AIJGHEJGMAWSJY-WCQYABFASA-N 0 3 240.347 0.702 20 0 BCADHN O=C(C[C@H]1CSCCN1)N[C@H]1CC12CC2 ZINC000335030767 384500728 /nfs/dbraw/zinc/50/07/28/384500728.db2.gz RFNDRNBMXGIJCQ-IUCAKERBSA-N 0 3 226.345 0.750 20 0 BCADHN C[C@H]1[C@@H](CO)CCN1CC(=O)N1CCCCC1 ZINC000335812563 384501266 /nfs/dbraw/zinc/50/12/66/384501266.db2.gz OKDRMNZAIGKIAP-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN Cc1cccnc1NC(=O)C[C@@H]1CNCCO1 ZINC000091299228 384502320 /nfs/dbraw/zinc/50/23/20/384502320.db2.gz HQCTUVQZLVFWSB-SNVBAGLBSA-N 0 3 235.287 0.707 20 0 BCADHN CCC[C@@](C)(N)C(=O)NC[C@@H]1CCCO1 ZINC000037481274 384502889 /nfs/dbraw/zinc/50/28/89/384502889.db2.gz BDSLDLYNVQIUEK-GXSJLCMTSA-N 0 3 214.309 0.799 20 0 BCADHN O=C1NCCCC[C@H]1N1CCCC[C@@H](CO)C1 ZINC000363479347 384503770 /nfs/dbraw/zinc/50/37/70/384503770.db2.gz REWQUMXGSVOKGJ-VXGBXAGGSA-N 0 3 240.347 0.750 20 0 BCADHN CC[C@@H]1CCCCCN1CC(=O)NC(N)=O ZINC000150738221 384511944 /nfs/dbraw/zinc/51/19/44/384511944.db2.gz BKWKCEPMPVRSLC-SECBINFHSA-N 0 3 227.308 0.836 20 0 BCADHN COC(=O)[C@@](C)(O)CN(C(C)C)[C@@H]1CCOC1 ZINC000361417793 384506325 /nfs/dbraw/zinc/50/63/25/384506325.db2.gz YNSZRVHXDVQVCE-PWSUYJOCSA-N 0 3 245.319 0.410 20 0 BCADHN COCC[C@H](C)NC1CN(C(=O)OC)C1 ZINC000181462097 384507352 /nfs/dbraw/zinc/50/73/52/384507352.db2.gz DIQUKJXAXBODEL-QMMMGPOBSA-N 0 3 216.281 0.452 20 0 BCADHN CCc1ncc(S(=O)(=O)[N-]C[C@H](C)[NH3+])s1 ZINC000647273993 384508239 /nfs/dbraw/zinc/50/82/39/384508239.db2.gz QLBZAIYZHZFOQS-LURJTMIESA-N 0 3 249.361 0.331 20 0 BCADHN COc1c(CNC[C@@H](C)CO)c(C)nn1C ZINC000136357140 384491694 /nfs/dbraw/zinc/49/16/94/384491694.db2.gz WDIHSKNRVYEGAV-MRVPVSSYSA-N 0 3 227.308 0.455 20 0 BCADHN C[C@@H](CCO)CNCc1ccc(CO)o1 ZINC000085127937 384491909 /nfs/dbraw/zinc/49/19/09/384491909.db2.gz DSBRDFILCTXLFG-VIFPVBQESA-N 0 3 213.277 0.880 20 0 BCADHN CCSCCN1CCC[C@](O)(C(N)=O)C1 ZINC000309042083 384492399 /nfs/dbraw/zinc/49/23/99/384492399.db2.gz KQGVOBSURMOQHN-SNVBAGLBSA-N 0 3 232.349 0.052 20 0 BCADHN CCN(C)C(=O)CN[C@@H](CO)C(C)(C)C ZINC000309063506 384493565 /nfs/dbraw/zinc/49/35/65/384493565.db2.gz YATXJLQICVMSAJ-VIFPVBQESA-N 0 3 216.325 0.461 20 0 BCADHN CNC(=O)NC(=O)CN(C)CC1CCCC1 ZINC000049492084 384535638 /nfs/dbraw/zinc/53/56/38/384535638.db2.gz WGRQFXSFFPHTIT-UHFFFAOYSA-N 0 3 227.308 0.564 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCC(=O)OCC ZINC000037713936 384513024 /nfs/dbraw/zinc/51/30/24/384513024.db2.gz ZICVJSAFWGKZEA-SNVBAGLBSA-N 0 3 216.281 0.183 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2CC23CC3)CCN1 ZINC000335051091 384513219 /nfs/dbraw/zinc/51/32/19/384513219.db2.gz NYIBFVHIXUMNBW-VIFPVBQESA-N 0 3 208.305 0.997 20 0 BCADHN CCOCCNC(=O)CN(CC)C(C)C ZINC000175940492 384519256 /nfs/dbraw/zinc/51/92/56/384519256.db2.gz PNLUYXBTEZYBEE-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN CN(C)CCSc1nccn2cnnc12 ZINC000356874370 384522202 /nfs/dbraw/zinc/52/22/02/384522202.db2.gz YALJFEQVURBAQO-UHFFFAOYSA-N 0 3 223.305 0.778 20 0 BCADHN C[C@@H](O)CN[C@@H]1CCCc2c1cnn2CCO ZINC000647519695 384524610 /nfs/dbraw/zinc/52/46/10/384524610.db2.gz UINVAGCNAYESNF-MWLCHTKSSA-N 0 3 239.319 0.223 20 0 BCADHN C[C@H](O)CN[C@@H]1CCCc2c1cnn2CCO ZINC000647519693 384525515 /nfs/dbraw/zinc/52/55/15/384525515.db2.gz UINVAGCNAYESNF-GXSJLCMTSA-N 0 3 239.319 0.223 20 0 BCADHN CCN(C)CCNc1cc(OC)ncn1 ZINC000085485075 384526914 /nfs/dbraw/zinc/52/69/14/384526914.db2.gz AKXYMIWGDZFLBE-UHFFFAOYSA-N 0 3 210.281 0.849 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000019519641 384528350 /nfs/dbraw/zinc/52/83/50/384528350.db2.gz UQMXMEAIDMVFER-SSDOTTSWSA-N 0 3 222.244 0.744 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000085541478 384530032 /nfs/dbraw/zinc/53/00/32/384530032.db2.gz YVHIZZDRMRHVBZ-KXUCPTDWSA-N 0 3 212.293 0.360 20 0 BCADHN C[C@H]1C[C@@H](NCCNC(=O)C(C)(C)C)CO1 ZINC000647180137 384533128 /nfs/dbraw/zinc/53/31/28/384533128.db2.gz GXKLPOAOBJMZPQ-VHSXEESVSA-N 0 3 228.336 0.916 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)C1(CF)CCC1 ZINC000648177340 384542445 /nfs/dbraw/zinc/54/24/45/384542445.db2.gz TZSZYTZAFBCWET-VIFPVBQESA-N 0 3 230.283 0.231 20 0 BCADHN CN(C(=O)C[C@H]1CSCCN1)C1CC1 ZINC000085612897 384545577 /nfs/dbraw/zinc/54/55/77/384545577.db2.gz CVWJPRIOSUXCJR-QMMMGPOBSA-N 0 3 214.334 0.702 20 0 BCADHN CCCCNC(=O)C[C@H]1CSCCN1 ZINC000085612600 384545868 /nfs/dbraw/zinc/54/58/68/384545868.db2.gz CDAGEDCEDUNXNG-VIFPVBQESA-N 0 3 216.350 0.998 20 0 BCADHN CC(C)N(C)C(=O)C[C@@H]1CNCCO1 ZINC000085618895 384545893 /nfs/dbraw/zinc/54/58/93/384545893.db2.gz GZEAVSYXWDDUCU-SECBINFHSA-N 0 3 200.282 0.232 20 0 BCADHN O=C(C[C@H]1CNCCO1)NC1CCCC1 ZINC000085618732 384546033 /nfs/dbraw/zinc/54/60/33/384546033.db2.gz JCSIEJDRQAXFOU-JTQLQIEISA-N 0 3 212.293 0.424 20 0 BCADHN CCC(C)(C)NC(=O)C[C@@H]1CNCCO1 ZINC000085618640 384546188 /nfs/dbraw/zinc/54/61/88/384546188.db2.gz USDKFPFBIFISDM-SECBINFHSA-N 0 3 214.309 0.670 20 0 BCADHN CC(C)(N)C(=O)NCC[C@H](O)c1ccccc1 ZINC000161945055 384546569 /nfs/dbraw/zinc/54/65/69/384546569.db2.gz FFVKFEGFSCKPAE-NSHDSACASA-N 0 3 236.315 0.964 20 0 BCADHN CN(CC1CC1)C(=O)C[C@H]1CNCCO1 ZINC000085619526 384546794 /nfs/dbraw/zinc/54/67/94/384546794.db2.gz FCUVRWQEJOKDJC-JTQLQIEISA-N 0 3 212.293 0.233 20 0 BCADHN O=C(C[C@@H]1CNCCO1)NC1CCCC1 ZINC000085618730 384547634 /nfs/dbraw/zinc/54/76/34/384547634.db2.gz JCSIEJDRQAXFOU-SNVBAGLBSA-N 0 3 212.293 0.424 20 0 BCADHN C[C@@H]1CCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000085613749 384547919 /nfs/dbraw/zinc/54/79/19/384547919.db2.gz TUYQMUFICFEUON-ZJUUUORDSA-N 0 3 228.361 0.950 20 0 BCADHN C[C@H]1[C@H](CO)CCN1Cc1cncn1C ZINC000335883514 384549008 /nfs/dbraw/zinc/54/90/08/384549008.db2.gz BYGLTJJHWIUMLE-UWVGGRQHSA-N 0 3 209.293 0.623 20 0 BCADHN CC(C)[C@@](C)(CO)NCC(=O)NC(C)(C)C ZINC000309718502 384550289 /nfs/dbraw/zinc/55/02/89/384550289.db2.gz ZTLYZZPRVYMURS-GFCCVEGCSA-N 0 3 230.352 0.898 20 0 BCADHN CN(C)CCN(C)C(=O)c1cccn1C ZINC000080390947 384550684 /nfs/dbraw/zinc/55/06/84/384550684.db2.gz KPTDCSAYJYVSHY-UHFFFAOYSA-N 0 3 209.293 0.659 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085631608 384551348 /nfs/dbraw/zinc/55/13/48/384551348.db2.gz VTWQCOIGKQLDOB-JLLWLGSASA-N 0 3 240.347 0.914 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC([C@H](C)O)CC1 ZINC000234590675 384552612 /nfs/dbraw/zinc/55/26/12/384552612.db2.gz QSDNNMICDJOFHR-JOYOIKCWSA-N 0 3 245.319 0.003 20 0 BCADHN Cc1noc(Cn2cc([C@H](N)C(C)C)nn2)n1 ZINC000305951241 384558324 /nfs/dbraw/zinc/55/83/24/384558324.db2.gz URRMOMQMCNHMGK-SNVBAGLBSA-N 0 3 236.279 0.674 20 0 BCADHN Cc1ncsc1CNC[C@@H]1COCCN1 ZINC000083874976 384538506 /nfs/dbraw/zinc/53/85/06/384538506.db2.gz RNVRKRZCGNZQOE-SECBINFHSA-N 0 3 227.333 0.530 20 0 BCADHN COc1c(CN[C@H](C)[C@H](C)CO)c(C)nn1C ZINC000123170792 384541152 /nfs/dbraw/zinc/54/11/52/384541152.db2.gz FVUVZCKBIVEKIS-RKDXNWHRSA-N 0 3 241.335 0.844 20 0 BCADHN CC[C@H]1COCCN1C(=O)CN(C)C(C)C ZINC000115510281 384541366 /nfs/dbraw/zinc/54/13/66/384541366.db2.gz ZAHMQGXWYYLVGH-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)N(C)CC(=O)N(C)Cc1cnccn1 ZINC000172164654 384541525 /nfs/dbraw/zinc/54/15/25/384541525.db2.gz BAVNXEAIIUZNSJ-UHFFFAOYSA-N 0 3 236.319 0.775 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000236777229 384575225 /nfs/dbraw/zinc/57/52/25/384575225.db2.gz HZVSNSLWBCWTKF-DCAQKATOSA-N 0 3 244.335 0.280 20 0 BCADHN CCN(C)C(=O)CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000408060989 384578541 /nfs/dbraw/zinc/57/85/41/384578541.db2.gz KJHZMJXTXQGESG-UWVGGRQHSA-N 0 3 241.335 0.051 20 0 BCADHN COc1ncncc1CNC[C@](C)(O)C1CC1 ZINC000647182518 384578621 /nfs/dbraw/zinc/57/86/21/384578621.db2.gz GVGNPKXYXJFTOD-LBPRGKRZSA-N 0 3 237.303 0.736 20 0 BCADHN CC(C)C[C@@H](N)c1noc(C2(C)CNC2)n1 ZINC000517935364 384582962 /nfs/dbraw/zinc/58/29/62/384582962.db2.gz RPNLCCBZPDQPDJ-MRVPVSSYSA-N 0 3 224.308 0.976 20 0 BCADHN C[C@H](O)CCCN1CCC[C@@H]2C(=O)NC[C@H]21 ZINC000309722312 384566743 /nfs/dbraw/zinc/56/67/43/384566743.db2.gz CECGIDLXJVYKQM-GARJFASQSA-N 0 3 226.320 0.358 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N(C)CC1CCC1 ZINC000111298542 384604191 /nfs/dbraw/zinc/60/41/91/384604191.db2.gz YLGOXHSSIIEWNP-QMMMGPOBSA-N 0 3 227.308 0.562 20 0 BCADHN CNC(=O)NC(=O)CN(C)CC1CCC1 ZINC000111297275 384605886 /nfs/dbraw/zinc/60/58/86/384605886.db2.gz MVPATGMAYFHELU-UHFFFAOYSA-N 0 3 213.281 0.174 20 0 BCADHN COC(=O)CCN1CCC([C@@H](C)O)CC1 ZINC000111288880 384605951 /nfs/dbraw/zinc/60/59/51/384605951.db2.gz UUCRSVFZLAFWEE-SECBINFHSA-N 0 3 215.293 0.642 20 0 BCADHN CCOCCN1CCN(C[C@@H]2CCOC2)CC1 ZINC000171567952 384606914 /nfs/dbraw/zinc/60/69/14/384606914.db2.gz PDFHRSYALMJALU-ZDUSSCGKSA-N 0 3 242.363 0.677 20 0 BCADHN CC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000124035770 384608211 /nfs/dbraw/zinc/60/82/11/384608211.db2.gz GFVCJMLWXJUXOK-UHFFFAOYSA-N 0 3 237.303 0.658 20 0 BCADHN Cc1ccc(CN[C@@H]2COC[C@@H]2O)s1 ZINC000050225465 384608664 /nfs/dbraw/zinc/60/86/64/384608664.db2.gz JFOAZYOHXQNFCC-ZJUUUORDSA-N 0 3 213.302 0.906 20 0 BCADHN C[C@H]1C[C@@H](NC2COCCOC2)CS1 ZINC000306341419 384612688 /nfs/dbraw/zinc/61/26/88/384612688.db2.gz XLDRVBUCIBHXKJ-DTWKUNHWSA-N 0 3 217.334 0.885 20 0 BCADHN Cc1nnc(N[C@@H](C)CN(C)C)nc1C ZINC000158957862 384613408 /nfs/dbraw/zinc/61/34/08/384613408.db2.gz TUQYAIAYFWDGHN-ZETCQYMHSA-N 0 3 209.297 0.850 20 0 BCADHN COCCNCC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403270022 384613717 /nfs/dbraw/zinc/61/37/17/384613717.db2.gz QAZFAJWUKVAYRE-GRYCIOLGSA-N 0 3 240.347 0.775 20 0 BCADHN C[C@@H]1[C@H](NC(=O)CCCC(N)=O)CCCN1C ZINC000427468516 384615097 /nfs/dbraw/zinc/61/50/97/384615097.db2.gz DNPFVNQMDZMYMD-NXEZZACHSA-N 0 3 241.335 0.241 20 0 BCADHN CCN(CCO)CCNCc1cnn(CC)c1 ZINC000184539892 384615244 /nfs/dbraw/zinc/61/52/44/384615244.db2.gz UTVOUBJYIJGFCO-UHFFFAOYSA-N 0 3 240.351 0.307 20 0 BCADHN Cc1nc(C)c(C(=O)NCCN(C)C)nc1C ZINC000184595454 384621803 /nfs/dbraw/zinc/62/18/03/384621803.db2.gz XBIVYPUZYZAVNR-UHFFFAOYSA-N 0 3 236.319 0.693 20 0 BCADHN C[C@@H](NC(=O)CN1CC[C@@H](C)C1)[C@H](C)CO ZINC000561286832 384623656 /nfs/dbraw/zinc/62/36/56/384623656.db2.gz NEQPQNPBHBASQA-GMTAPVOTSA-N 0 3 228.336 0.461 20 0 BCADHN CC[C@H](O)CN1CCCC[C@@H]1C(=O)NC ZINC000171648615 384626344 /nfs/dbraw/zinc/62/63/44/384626344.db2.gz LUECEKMFXREJMR-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN COC(=O)CCCN[C@H](C(N)=O)C(C)(C)C ZINC000117340316 384628040 /nfs/dbraw/zinc/62/80/40/384628040.db2.gz KVSQDMUBNNFJIT-SECBINFHSA-N 0 3 230.308 0.429 20 0 BCADHN C[C@@H](NC[C@H](O)CN(C)C)c1ccco1 ZINC000037890658 384628708 /nfs/dbraw/zinc/62/87/08/384628708.db2.gz RUCBMYHIAGWWLV-ZJUUUORDSA-N 0 3 212.293 0.853 20 0 BCADHN CCN(C)CCNC(=O)c1ccnc(F)c1 ZINC000053859918 384633858 /nfs/dbraw/zinc/63/38/58/384633858.db2.gz NBPNGFYPXDIFIN-UHFFFAOYSA-N 0 3 225.267 0.902 20 0 BCADHN CCOC(=O)CCN1CCCC[C@H]1CO ZINC000042207404 384629912 /nfs/dbraw/zinc/62/99/12/384629912.db2.gz SZPCAJJDJDWVAR-JTQLQIEISA-N 0 3 215.293 0.786 20 0 BCADHN CN(Cc1cccnc1)C(=O)C(C)(C)N ZINC000040920786 384630732 /nfs/dbraw/zinc/63/07/32/384630732.db2.gz ZZNSSICFDCBDLC-UHFFFAOYSA-N 0 3 207.277 0.777 20 0 BCADHN CC(C)OCCCNC1(C(N)=O)CC1 ZINC000183806416 384595070 /nfs/dbraw/zinc/59/50/70/384595070.db2.gz IGALMPCBMBNRQW-UHFFFAOYSA-N 0 3 200.282 0.409 20 0 BCADHN COC(=O)N1CCC(NCc2ccno2)CC1 ZINC000497167868 384597988 /nfs/dbraw/zinc/59/79/88/384597988.db2.gz LORXQZSSAGKURX-UHFFFAOYSA-N 0 3 239.275 0.995 20 0 BCADHN Cc1cncc(C(=O)NCCN(C)C)c1 ZINC000098191789 384601262 /nfs/dbraw/zinc/60/12/62/384601262.db2.gz WWSDMERKBMWCHC-UHFFFAOYSA-N 0 3 207.277 0.681 20 0 BCADHN Cc1nc(CN[C@H]2CCO[C@H]2C2CC2)n[nH]1 ZINC000309845578 384665205 /nfs/dbraw/zinc/66/52/05/384665205.db2.gz GJSCIHFDPLVTIG-ONGXEEELSA-N 0 3 222.292 0.770 20 0 BCADHN Cc1c[nH]nc1CNCCCc1ncn(C)n1 ZINC000647231720 384667280 /nfs/dbraw/zinc/66/72/80/384667280.db2.gz MCQMILQZCUUVGR-UHFFFAOYSA-N 0 3 234.307 0.569 20 0 BCADHN C[C@H]1C[C@@H](NCC2(CS(C)(=O)=O)CC2)CO1 ZINC000647189354 384669973 /nfs/dbraw/zinc/66/99/73/384669973.db2.gz QJLFZWOXPFWLCN-VHSXEESVSA-N 0 3 247.360 0.578 20 0 BCADHN Cc1nnc(CN[C@@H]2CCC[C@@H]2CCO)[nH]1 ZINC000309861149 384672465 /nfs/dbraw/zinc/67/24/65/384672465.db2.gz MOHDXKGAHPDDPJ-NXEZZACHSA-N 0 3 224.308 0.754 20 0 BCADHN CCn1cc(CN[C@H]2CCC[C@@H]2O)cn1 ZINC000164235852 384636927 /nfs/dbraw/zinc/63/69/27/384636927.db2.gz LWVXXKUNCWSBPP-QWRGUYRKSA-N 0 3 209.293 0.906 20 0 BCADHN CCN(C)CCNC(=O)[C@H](C)COC ZINC000103534916 384641003 /nfs/dbraw/zinc/64/10/03/384641003.db2.gz OMGHKULAPZKTJB-SECBINFHSA-N 0 3 202.298 0.337 20 0 BCADHN CNc1ccc(C(=O)NCCN(C)C)cn1 ZINC000050725907 384643987 /nfs/dbraw/zinc/64/39/87/384643987.db2.gz HCORFAFRIUSMQP-UHFFFAOYSA-N 0 3 222.292 0.415 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]CC[C@H](C)[NH3+])o1 ZINC000309815209 384644687 /nfs/dbraw/zinc/64/46/87/384644687.db2.gz VCRVQLDBFSKBIT-ZETCQYMHSA-N 0 3 232.305 0.604 20 0 BCADHN O=C(CCc1ccccn1)N1CCCNCC1 ZINC000082239821 384649644 /nfs/dbraw/zinc/64/96/44/384649644.db2.gz ZYFFBURBVRVKIW-UHFFFAOYSA-N 0 3 233.315 0.836 20 0 BCADHN CO[C@H](C)CN1CCN(CCO)[C@H](C)C1 ZINC000487925976 533083811 /nfs/dbraw/zinc/08/38/11/533083811.db2.gz BULVDKSTDPWGQL-GHMZBOCLSA-N 0 3 216.325 0.020 20 0 BCADHN CC(C)c1nnc(NC(=O)[C@H](C)N)s1 ZINC000082255786 384653080 /nfs/dbraw/zinc/65/30/80/384653080.db2.gz YEVSFMHHZNDYTP-YFKPBYRVSA-N 0 3 214.294 0.947 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000082255909 384654053 /nfs/dbraw/zinc/65/40/53/384654053.db2.gz JHTBHHYNDRCQTA-OIBJUYFYSA-N 0 3 242.706 0.837 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC000044560281 384659041 /nfs/dbraw/zinc/65/90/41/384659041.db2.gz HFKGIQYTJHTOPJ-VIFPVBQESA-N 0 3 222.292 0.481 20 0 BCADHN C[C@@H](O)CCNCc1cc(C(N)=O)cs1 ZINC000086573764 384660853 /nfs/dbraw/zinc/66/08/53/384660853.db2.gz CNGDBFPMSZFMOX-SSDOTTSWSA-N 0 3 228.317 0.708 20 0 BCADHN CCOC[C@@H](O)CNCc1cn(C)nc1C ZINC000162664419 384661020 /nfs/dbraw/zinc/66/10/20/384661020.db2.gz FYMWSKJEUGGKFO-NSHDSACASA-N 0 3 227.308 0.216 20 0 BCADHN Cc1c(CNC[C@H](C)CCO)cnn1C ZINC000086552177 384661328 /nfs/dbraw/zinc/66/13/28/384661328.db2.gz BVNNOTHNNXVAPC-SECBINFHSA-N 0 3 211.309 0.837 20 0 BCADHN CNS(=O)(=O)CCCN1CCCC[C@@H]1C ZINC000104095285 384661289 /nfs/dbraw/zinc/66/12/89/384661289.db2.gz DILVNRDTOXVXJC-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN Cc1csc(=O)n1CCN(C)CC[C@H](C)O ZINC000173825906 384725637 /nfs/dbraw/zinc/72/56/37/384725637.db2.gz DBRLKQYSXMLSBM-JTQLQIEISA-N 0 3 244.360 0.921 20 0 BCADHN C[C@@H]1C[C@@H](N[C@@H]2CCCN(C)C2=O)CO1 ZINC000647189186 384679054 /nfs/dbraw/zinc/67/90/54/384679054.db2.gz HPWSOBIPHGRUIA-OPRDCNLKSA-N 0 3 212.293 0.374 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCC(=O)NC1 ZINC000104339604 384679438 /nfs/dbraw/zinc/67/94/38/384679438.db2.gz VZAVMILBFQLJGL-KOLCDFICSA-N 0 3 248.330 0.666 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2N[C@H]1CCC(=O)NC1 ZINC000104339608 384680535 /nfs/dbraw/zinc/68/05/35/384680535.db2.gz VZAVMILBFQLJGL-ONGXEEELSA-N 0 3 248.330 0.666 20 0 BCADHN CC[C@H](NCC(=O)N1CCC1)[C@@H]1CCCO1 ZINC000309865267 384680519 /nfs/dbraw/zinc/68/05/19/384680519.db2.gz OGKJDNCNYYVMEY-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)N(CCO)Cc1cnc(N)s1 ZINC000086766126 384682227 /nfs/dbraw/zinc/68/22/27/384682227.db2.gz ONYCXEUUIDGPLL-UHFFFAOYSA-N 0 3 215.322 0.928 20 0 BCADHN CN(CCC(N)=O)Cc1cc(O)cc(F)c1 ZINC000289550567 384689564 /nfs/dbraw/zinc/68/95/64/384689564.db2.gz INVFLSJSGJBPCV-UHFFFAOYSA-N 0 3 226.251 0.839 20 0 BCADHN CO[C@@H]1CCCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000363690865 384696555 /nfs/dbraw/zinc/69/65/55/384696555.db2.gz OGYKKBYEOSHIOX-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CCN(C)CCNC(=O)NCc1cnn(C)c1 ZINC000101991769 384697340 /nfs/dbraw/zinc/69/73/40/384697340.db2.gz RXGMCFHILOQXES-UHFFFAOYSA-N 0 3 239.323 0.171 20 0 BCADHN Cc1cccc(OCCNC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000050465279 384697348 /nfs/dbraw/zinc/69/73/48/384697348.db2.gz SPILKQRRNCFFIA-NEPJUHHUSA-N 0 3 234.299 0.837 20 0 BCADHN Cc1ccc(OCCNC(=O)[C@@H](C)N)cc1 ZINC000041240543 384704261 /nfs/dbraw/zinc/70/42/61/384704261.db2.gz AZEULFPKAFTFIF-SNVBAGLBSA-N 0 3 222.288 0.837 20 0 BCADHN CCC[C@]1(NCC(=O)NC)CCOC1 ZINC000336662141 384710387 /nfs/dbraw/zinc/71/03/87/384710387.db2.gz SSVJWLXEXGAQIP-JTQLQIEISA-N 0 3 200.282 0.281 20 0 BCADHN CCO[C@@H]1C[C@@H](NC(=O)C2(N)CC2)C12CCC2 ZINC000236870085 384711391 /nfs/dbraw/zinc/71/13/91/384711391.db2.gz MAYNMEVBGHPTTM-NXEZZACHSA-N 0 3 238.331 0.942 20 0 BCADHN CCOCCNC(=O)CN[C@H]1CSC[C@@H]1C ZINC000309907168 384712260 /nfs/dbraw/zinc/71/22/60/384712260.db2.gz KYHYTXOIDCUDIR-UWVGGRQHSA-N 0 3 246.376 0.480 20 0 BCADHN CCN(C)CCNC(=O)c1ncoc1C ZINC000102490912 384716299 /nfs/dbraw/zinc/71/62/99/384716299.db2.gz KCDJCLLNUIQJTB-UHFFFAOYSA-N 0 3 211.265 0.665 20 0 BCADHN CCN(C)CCNC(=O)Cc1cc[nH]n1 ZINC000173561755 384717676 /nfs/dbraw/zinc/71/76/76/384717676.db2.gz CACZWPQPRHQKCL-UHFFFAOYSA-N 0 3 210.281 0.020 20 0 BCADHN CCN(CC)C(=O)CN[C@@](C)(CO)C(C)C ZINC000309922042 384719769 /nfs/dbraw/zinc/71/97/69/384719769.db2.gz SPYXNJUGHZTRMT-LBPRGKRZSA-N 0 3 230.352 0.851 20 0 BCADHN CC[C@](C)(CO)NCc1cn(C)nc1C ZINC000126017891 384728488 /nfs/dbraw/zinc/72/84/88/384728488.db2.gz QYAUHWUGARUETP-LLVKDONJSA-N 0 3 211.309 0.979 20 0 BCADHN CC(C)N1C(=O)N[C@@H]2CN(CCCO)CC[C@@H]21 ZINC000408042844 384721679 /nfs/dbraw/zinc/72/16/79/384721679.db2.gz UIOLGMJOWYPBIP-MNOVXSKESA-N 0 3 241.335 0.245 20 0 BCADHN CS(=O)(=O)C[C@@H](NC[C@H]1CCCO1)C1CC1 ZINC000309933906 384721975 /nfs/dbraw/zinc/72/19/75/384721975.db2.gz ZDNGNASFHZKPQO-GHMZBOCLSA-N 0 3 247.360 0.578 20 0 BCADHN C[C@H](NC(=O)CN)c1ccc2c(c1)CC(=O)N2 ZINC000082604923 384774075 /nfs/dbraw/zinc/77/40/75/384774075.db2.gz PRIYYYBDTQDAMY-ZETCQYMHSA-N 0 3 233.271 0.317 20 0 BCADHN Cc1cc(CC(=O)N2CCN[C@H](C)[C@@H]2C)[nH]n1 ZINC000262739726 384775275 /nfs/dbraw/zinc/77/52/75/384775275.db2.gz DKGOECDIQZEMLJ-ZJUUUORDSA-N 0 3 236.319 0.469 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N1CCCCC1 ZINC000308521770 384775774 /nfs/dbraw/zinc/77/57/74/384775774.db2.gz YEVPNFPFGBWKCO-ZETCQYMHSA-N 0 3 206.236 0.981 20 0 BCADHN CC[C@H](CCO)CNCc1cnn(C)c1 ZINC000087362542 384775975 /nfs/dbraw/zinc/77/59/75/384775975.db2.gz VMSSFDKEKZUOIR-SNVBAGLBSA-N 0 3 211.309 0.918 20 0 BCADHN C[C@@H](C[NH3+])CNC(=O)c1ccccc1[O-] ZINC000054139762 384733108 /nfs/dbraw/zinc/73/31/08/384733108.db2.gz YRUFKQMMIGVYLP-QMMMGPOBSA-N 0 3 208.261 0.717 20 0 BCADHN C[C@H](CCS(C)(=O)=O)N[C@H]1CO[C@@H](C)C1 ZINC000647192727 384737218 /nfs/dbraw/zinc/73/72/18/384737218.db2.gz VPHDOMRKKZNQDJ-KXUCPTDWSA-N 0 3 235.349 0.577 20 0 BCADHN COc1cc(N2CC[C@@H](N3CC=CC3)C2)ncn1 ZINC000125649706 384738326 /nfs/dbraw/zinc/73/83/26/384738326.db2.gz UYWOFUFFZHBZSU-LLVKDONJSA-N 0 3 246.314 0.936 20 0 BCADHN Cc1cn[nH]c1CN[C@@]1(CCO)CCOC1 ZINC000289563755 384738698 /nfs/dbraw/zinc/73/86/98/384738698.db2.gz RHCJUJHCJCOOCY-NSHDSACASA-N 0 3 225.292 0.349 20 0 BCADHN Cn1cccc1CNC[C@]1(O)CCOC1 ZINC000126181926 384739913 /nfs/dbraw/zinc/73/99/13/384739913.db2.gz OWDITNQBPUAXCK-LLVKDONJSA-N 0 3 210.277 0.266 20 0 BCADHN CCOCCNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000105108665 384742408 /nfs/dbraw/zinc/74/24/08/384742408.db2.gz ZVYCWLFFLUUXPI-SNVBAGLBSA-N 0 3 243.351 0.805 20 0 BCADHN CCOCCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000105108651 384742426 /nfs/dbraw/zinc/74/24/26/384742426.db2.gz LKMLBSLACBMBOU-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN CN1CCC(NCC2(S(C)(=O)=O)CC2)CC1 ZINC000309966430 384745678 /nfs/dbraw/zinc/74/56/78/384745678.db2.gz NQJQXHNXAWEGRP-UHFFFAOYSA-N 0 3 246.376 0.247 20 0 BCADHN CSC[C@@H](O)CN(C)[C@@H]1CCOC1 ZINC000336664538 384749058 /nfs/dbraw/zinc/74/90/58/384749058.db2.gz XEMUYFUTRPTXGE-BDAKNGLRSA-N 0 3 205.323 0.431 20 0 BCADHN CN(C)CCNC(=O)c1cnc2ccccc2n1 ZINC000052818055 384750976 /nfs/dbraw/zinc/75/09/76/384750976.db2.gz QQYCALFVDXOCHC-UHFFFAOYSA-N 0 3 244.298 0.921 20 0 BCADHN CN(C)CCNC(=O)/C=C/c1cncc(O)c1 ZINC000181773249 384751767 /nfs/dbraw/zinc/75/17/67/384751767.db2.gz BEJWCNGWCPKTAN-ONEGZZNKSA-N 0 3 235.287 0.478 20 0 BCADHN C[C@H](NCCN1C(=O)CNC1=O)c1ccncc1 ZINC000174090659 384754448 /nfs/dbraw/zinc/75/44/48/384754448.db2.gz BLFOSTFVWRBPIH-VIFPVBQESA-N 0 3 248.286 0.284 20 0 BCADHN COC[C@H](C)NC(=O)N(C)CCN1CCCC1 ZINC000103246771 384757059 /nfs/dbraw/zinc/75/70/59/384757059.db2.gz HSSAZTWQWFLOPV-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN CC[C@@H](CO)N1CCN([C@@H](C)COC)CC1 ZINC000174134440 384760847 /nfs/dbraw/zinc/76/08/47/384760847.db2.gz MSWBERVPNMLFOZ-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN CC[C@@H](CCO)N[C@H](C)c1ccc(=O)[nH]n1 ZINC000309991051 384761538 /nfs/dbraw/zinc/76/15/38/384761538.db2.gz BASKSHCYSDLXHQ-BDAKNGLRSA-N 0 3 225.292 0.582 20 0 BCADHN Cc1nc(C)c(C(=O)NC[C@@H]2CCN(C)C2)o1 ZINC000174179275 384763398 /nfs/dbraw/zinc/76/33/98/384763398.db2.gz PVNRWPCKTKHNTM-JTQLQIEISA-N 0 3 237.303 0.973 20 0 BCADHN CO[C@@H]1C[C@H](N[C@@H]2CCCNC2=O)C1(C)C ZINC000309984331 384764250 /nfs/dbraw/zinc/76/42/50/384764250.db2.gz XQGRXALCEBVMPX-KXUCPTDWSA-N 0 3 226.320 0.668 20 0 BCADHN CC(=O)Nc1ccc(CNC[C@H](O)CO)cc1 ZINC000083365652 384764855 /nfs/dbraw/zinc/76/48/55/384764855.db2.gz KJIMSZXEMGSOSI-LBPRGKRZSA-N 0 3 238.287 0.088 20 0 BCADHN COc1ccc(CNC(=O)C2(N)CC2)c(F)c1 ZINC000083365552 384765234 /nfs/dbraw/zinc/76/52/34/384765234.db2.gz QXZNTYHGLQFYSJ-UHFFFAOYSA-N 0 3 238.262 0.942 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2cccc(O)c2)C1 ZINC000334987622 384765520 /nfs/dbraw/zinc/76/55/20/384765520.db2.gz ZXTOHGZGKRJZGD-NSHDSACASA-N 0 3 234.299 0.960 20 0 BCADHN CCCNC(=O)CN(CCC)CCC(=O)NC ZINC000053366881 384767170 /nfs/dbraw/zinc/76/71/70/384767170.db2.gz IZBGHARBVPPXNA-UHFFFAOYSA-N 0 3 243.351 0.361 20 0 BCADHN COC[C@H](C)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000308501339 384767212 /nfs/dbraw/zinc/76/72/12/384767212.db2.gz GTMHFYDECPTHJG-CIUDSAMLSA-N 0 3 221.322 0.187 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262704142 384769054 /nfs/dbraw/zinc/76/90/54/384769054.db2.gz BGJPLKDVSSPJOG-APPZFPTMSA-N 0 3 222.292 0.541 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CC[C@@H](C)[C@H]1C ZINC000248325003 384771776 /nfs/dbraw/zinc/77/17/76/384771776.db2.gz AZHUEFDAGUAYJP-BWZBUEFSSA-N 0 3 213.281 0.300 20 0 BCADHN Cc1ccc(NCCCNC(=O)C2(N)CC2)nc1 ZINC000262706701 384816861 /nfs/dbraw/zinc/81/68/61/384816861.db2.gz MTCHHBNIJQZAOL-UHFFFAOYSA-N 0 3 248.330 0.800 20 0 BCADHN CO[C@@H]1[C@@H](C)[C@H](NCC(N)=O)C1(C)C ZINC000308567025 384817271 /nfs/dbraw/zinc/81/72/71/384817271.db2.gz BAMFCHDWFQLSRZ-CNUIFLNQSA-N 0 3 200.282 0.121 20 0 BCADHN C[C@@H]1OCC[C@H]1N[C@@H](CO)CC(F)F ZINC000308572188 384822741 /nfs/dbraw/zinc/82/27/41/384822741.db2.gz CISIVJGMLWHPQI-XLPZGREQSA-N 0 3 209.236 0.770 20 0 BCADHN C[C@H](CN[C@H](C)c1ccc(=O)[nH]n1)N(C)C ZINC000309779249 384823567 /nfs/dbraw/zinc/82/35/67/384823567.db2.gz QQMFPNSOCNUJFQ-RKDXNWHRSA-N 0 3 224.308 0.371 20 0 BCADHN COC[C@H](O)CN1CCS[C@H](C)[C@@H]1C ZINC000126950405 384826526 /nfs/dbraw/zinc/82/65/26/384826526.db2.gz KBCPKPYDPRZBAB-IVZWLZJFSA-N 0 3 219.350 0.820 20 0 BCADHN COC[C@@H](C)N[C@H]1CCCN(C)C1=O ZINC000308585580 384828859 /nfs/dbraw/zinc/82/88/59/384828859.db2.gz IEDGXTLTWNOLKN-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)Cc1cnccn1 ZINC000262707930 384830750 /nfs/dbraw/zinc/83/07/50/384830750.db2.gz NVNWXCDECPOJML-GFCCVEGCSA-N 0 3 236.319 0.953 20 0 BCADHN CC1(CN2CCCN(C(N)=O)CC2)CC1 ZINC000565693071 384830892 /nfs/dbraw/zinc/83/08/92/384830892.db2.gz IWXIJDNKIWIHEM-UHFFFAOYSA-N 0 3 211.309 0.873 20 0 BCADHN C[C@@H](NCc1ccn(C)n1)[C@@H]1CCOC1 ZINC000127058177 384833049 /nfs/dbraw/zinc/83/30/49/384833049.db2.gz URSDSJWPGHZJAW-NXEZZACHSA-N 0 3 209.293 0.935 20 0 BCADHN C[C@@H]1CC2(CN1C(=O)C1(N)CC1)CCOCC2 ZINC000648204033 384834393 /nfs/dbraw/zinc/83/43/93/384834393.db2.gz OYKYDSNASVNHTM-SNVBAGLBSA-N 0 3 238.331 0.895 20 0 BCADHN O=C1CC[C@@H](NCCF)[C@H](C2CC2)N1 ZINC000308525051 384781586 /nfs/dbraw/zinc/78/15/86/384781586.db2.gz WTFVZXUOZWQGKY-SCZZXKLOSA-N 0 3 200.257 0.603 20 0 BCADHN CSC[C@](C)(O)CNCc1cn(C)nc1C ZINC000126251666 384783647 /nfs/dbraw/zinc/78/36/47/384783647.db2.gz OOILOGLUDCXJPP-LLVKDONJSA-N 0 3 243.376 0.932 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC(C)(C)C(=O)N(C)C ZINC000518772262 384784370 /nfs/dbraw/zinc/78/43/70/384784370.db2.gz GJHRPSFUQGBUEM-QMMMGPOBSA-N 0 3 241.335 0.110 20 0 BCADHN CSC[C@@](C)(O)CNCc1cn(C)nc1C ZINC000126251476 384785233 /nfs/dbraw/zinc/78/52/33/384785233.db2.gz OOILOGLUDCXJPP-NSHDSACASA-N 0 3 243.376 0.932 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)CCCn1ccnc1 ZINC000126290909 384786708 /nfs/dbraw/zinc/78/67/08/384786708.db2.gz LJQXTUMPDGEZNJ-BDJLRTHQSA-N 0 3 243.376 0.972 20 0 BCADHN C[C@@H](C[S@](C)=O)N(C)CCCn1ccnc1 ZINC000126290702 384788406 /nfs/dbraw/zinc/78/84/06/384788406.db2.gz LJQXTUMPDGEZNJ-MEDUHNTESA-N 0 3 243.376 0.972 20 0 BCADHN CCN(CC)CC(=O)NC[C@](C)(O)C(C)C ZINC000304387861 384789042 /nfs/dbraw/zinc/78/90/42/384789042.db2.gz LQIXEGHINKFXMR-LBPRGKRZSA-N 0 3 230.352 0.851 20 0 BCADHN CN1CCN(C(=O)C2CCCCC2)[C@H](CN)C1 ZINC000122615332 384789970 /nfs/dbraw/zinc/78/99/70/384789970.db2.gz LLZXUJRPXYVURT-GFCCVEGCSA-N 0 3 239.363 0.668 20 0 BCADHN Cn1ccc(CN[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000126339413 384792291 /nfs/dbraw/zinc/79/22/91/384792291.db2.gz HUIGMPODUNTTRF-LLVKDONJSA-N 0 3 233.315 0.878 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)[C@H](N)C(C)C)C1(C)C ZINC000234793244 384836502 /nfs/dbraw/zinc/83/65/02/384836502.db2.gz CNOZTLOQGBEXOA-LPEHRKFASA-N 0 3 228.336 0.899 20 0 BCADHN COC[C@H](O)CN1CCC([C@@H](C)O)CC1 ZINC000126759629 384801194 /nfs/dbraw/zinc/80/11/94/384801194.db2.gz XWEYLKJZTGWKJJ-MWLCHTKSSA-N 0 3 217.309 0.087 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000083888858 384811468 /nfs/dbraw/zinc/81/14/68/384811468.db2.gz VLNUGUNMRFFGBP-LURJTMIESA-N 0 3 235.243 0.417 20 0 BCADHN C[C@H](N)C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000083887823 384812945 /nfs/dbraw/zinc/81/29/45/384812945.db2.gz WTSWVHBFRVCRFV-LURJTMIESA-N 0 3 236.250 0.665 20 0 BCADHN CCCCN(C)CC(=O)NCCOCC ZINC000084678636 384889683 /nfs/dbraw/zinc/88/96/83/384889683.db2.gz RFKZHGMNXVBBQQ-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN CN(C)C(=O)NCCCN1CCC(O)CC1 ZINC000408175544 134434304 /nfs/dbraw/zinc/43/43/04/134434304.db2.gz UOEQDUBTMOYDPB-UHFFFAOYSA-N 0 3 229.324 0.104 20 0 BCADHN CCN(C(=O)CN1CC[C@@H](C)C1)[C@@H](C)CO ZINC000521067070 384877259 /nfs/dbraw/zinc/87/72/59/384877259.db2.gz YCTJUJMOVNLBTK-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@](CO)(C(C)C)C1 ZINC000339710362 384877894 /nfs/dbraw/zinc/87/78/94/384877894.db2.gz MWNGJUYJDLJJJQ-AAEUAGOBSA-N 0 3 242.363 0.981 20 0 BCADHN CN(CCN(C)C1CC1)Cc1ccnn1C ZINC000186776108 384878661 /nfs/dbraw/zinc/87/86/61/384878661.db2.gz UDIYBPJAMATJAP-UHFFFAOYSA-N 0 3 222.336 0.946 20 0 BCADHN CO[C@@H](C)CN1CCC[C@H](N2CCNC2=O)C1 ZINC000374678315 384880252 /nfs/dbraw/zinc/88/02/52/384880252.db2.gz LJLFTDYNPDARBH-QWRGUYRKSA-N 0 3 241.335 0.511 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1csnn1 ZINC000186783543 384880701 /nfs/dbraw/zinc/88/07/01/384880701.db2.gz BREGMAGZXWYIDC-UHFFFAOYSA-N 0 3 240.332 0.704 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1ccnn1C ZINC000186783768 384881438 /nfs/dbraw/zinc/88/14/38/384881438.db2.gz YKALNFZWBWDNGX-UHFFFAOYSA-N 0 3 236.319 0.586 20 0 BCADHN CN(C)CCNC(=O)[C@H]1OCCc2ccccc21 ZINC000127315734 384881734 /nfs/dbraw/zinc/88/17/34/384881734.db2.gz PMCGVLAGXNDFHD-ZDUSSCGKSA-N 0 3 248.326 0.978 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](N)CC(F)F)C(=O)OC ZINC000309279899 384886476 /nfs/dbraw/zinc/88/64/76/384886476.db2.gz HPWPOCMCYKQASW-NTSWFWBYSA-N 0 3 238.234 0.037 20 0 BCADHN CCO[N-]C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000364477711 384887971 /nfs/dbraw/zinc/88/79/71/384887971.db2.gz BCQLPCKGQVXASO-VIFPVBQESA-N 0 3 200.282 0.834 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CNCCC2(F)F)CO1 ZINC000648204693 384838931 /nfs/dbraw/zinc/83/89/31/384838931.db2.gz FWKWWTIZIHGYCC-IWSPIJDZSA-N 0 3 248.273 0.525 20 0 BCADHN CC(C)(C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000306271732 384840594 /nfs/dbraw/zinc/84/05/94/384840594.db2.gz UQWQXIMJCUBGAN-YUMQZZPRSA-N 0 3 202.273 0.849 20 0 BCADHN COC(=O)c1coc(CN[C@H](C)CCO)c1 ZINC000126918117 384842492 /nfs/dbraw/zinc/84/24/92/384842492.db2.gz XSDNBGRLYUXARW-MRVPVSSYSA-N 0 3 227.260 0.927 20 0 BCADHN Cc1noc(CCNC(=O)[C@H]2CCCCN2)n1 ZINC000225408901 384843865 /nfs/dbraw/zinc/84/38/65/384843865.db2.gz YYTBIKCMKRBWKI-SECBINFHSA-N 0 3 238.291 0.179 20 0 BCADHN CC[C@H](O)CC(=O)NC[C@@H]1CCCN1C ZINC000448974713 384844374 /nfs/dbraw/zinc/84/43/74/384844374.db2.gz CXOJLFMDRYZXMX-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN CC[C@@H](O)CC(=O)NC[C@@H]1CCCN1C ZINC000448974714 384844459 /nfs/dbraw/zinc/84/44/59/384844459.db2.gz CXOJLFMDRYZXMX-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)O ZINC000427619600 384845914 /nfs/dbraw/zinc/84/59/14/384845914.db2.gz BFMOZWGLIJTYGH-SCZZXKLOSA-N 0 3 226.320 0.356 20 0 BCADHN C[C@@H]1CN(C(=O)[C@]2(F)CCNC2)[C@@H](C)CO1 ZINC000151866282 384847310 /nfs/dbraw/zinc/84/73/10/384847310.db2.gz IAVIBJGUOYDYEM-NGZCFLSTSA-N 0 3 230.283 0.324 20 0 BCADHN CO[C@H](C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177034891 384848884 /nfs/dbraw/zinc/84/88/84/384848884.db2.gz QUUZTTNUHGXCRA-IVZWLZJFSA-N 0 3 226.320 0.763 20 0 BCADHN CN1CCC(O)(CNC(=O)CC2CCC2)CC1 ZINC000331836607 384849985 /nfs/dbraw/zinc/84/99/85/384849985.db2.gz FQWMJVXYNNHOGS-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N(C)CCCC(=O)NC ZINC000236938537 384853966 /nfs/dbraw/zinc/85/39/66/384853966.db2.gz ZENCBSTYMZBCIZ-MWLCHTKSSA-N 0 3 243.351 0.344 20 0 BCADHN C[C@@H](CN1CCOCC1)NCc1cncs1 ZINC000054770600 384854241 /nfs/dbraw/zinc/85/42/41/384854241.db2.gz QCAQRFFXFOVKJW-JTQLQIEISA-N 0 3 241.360 0.953 20 0 BCADHN CCN(CCNCc1cnn(C)c1)C1CC1 ZINC000163763213 384855500 /nfs/dbraw/zinc/85/55/00/384855500.db2.gz FPSCLLGGHPYCEC-UHFFFAOYSA-N 0 3 222.336 0.994 20 0 BCADHN CO[C@@H]1CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000151892007 384860242 /nfs/dbraw/zinc/86/02/42/384860242.db2.gz POXIXPWETUDLLW-MNOVXSKESA-N 0 3 242.319 0.002 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC000105327269 384861969 /nfs/dbraw/zinc/86/19/69/384861969.db2.gz SQUKDICQHBRFEI-JTQLQIEISA-N 0 3 240.303 0.427 20 0 BCADHN CCN(C)CCNC(=O)c1ccc[n+]([O-])c1 ZINC000105329087 384863599 /nfs/dbraw/zinc/86/35/99/384863599.db2.gz FSICOLYCQSQGFA-UHFFFAOYSA-N 0 3 223.276 0.002 20 0 BCADHN COC[C@@H](O)CCNCc1ccccn1 ZINC000127505551 384866158 /nfs/dbraw/zinc/86/61/58/384866158.db2.gz WNDSXFULMTVMLK-NSHDSACASA-N 0 3 210.277 0.569 20 0 BCADHN C[C@H](CO)N(C)CCn1cc(Cl)cn1 ZINC000312895472 384866785 /nfs/dbraw/zinc/86/67/85/384866785.db2.gz DLKYSCAARVUFGV-MRVPVSSYSA-N 0 3 217.700 0.849 20 0 BCADHN COC[C@H](O)CN1CCSC(C)(C)C1 ZINC000127445555 384869426 /nfs/dbraw/zinc/86/94/26/384869426.db2.gz PLJJYRXGLYVORG-SECBINFHSA-N 0 3 219.350 0.821 20 0 BCADHN COc1ccccc1CNC[C@@H]1COCCN1 ZINC000258856448 384949081 /nfs/dbraw/zinc/94/90/81/384949081.db2.gz GMYXHHUVYCGMTA-GFCCVEGCSA-N 0 3 236.315 0.773 20 0 BCADHN CO[C@@H](CN1CCOC[C@@H](O)C1)C1CC1 ZINC000400146843 384949903 /nfs/dbraw/zinc/94/99/03/384949903.db2.gz ZNJMQGWRJNTYBV-QWRGUYRKSA-N 0 3 215.293 0.105 20 0 BCADHN CN1CCC(O)(CNC(=O)CC2(C)CC2)CC1 ZINC000331947941 384960540 /nfs/dbraw/zinc/96/05/40/384960540.db2.gz YMSLZGWJOBOJDD-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN CN(CC1CC1)C(=O)[C@@]1(F)CCNC1 ZINC000368556353 384952257 /nfs/dbraw/zinc/95/22/57/384952257.db2.gz MIGOVOMQAYQEMK-SNVBAGLBSA-N 0 3 200.257 0.556 20 0 BCADHN CCCc1cc(C(=O)N2CCN[C@H](C)C2)n[nH]1 ZINC000188419819 384952544 /nfs/dbraw/zinc/95/25/44/384952544.db2.gz XHZHLNZSKKTEBG-SECBINFHSA-N 0 3 236.319 0.796 20 0 BCADHN COCC[C@H](CO)N[C@H](C)c1cnn(C)c1 ZINC000300807774 384953660 /nfs/dbraw/zinc/95/36/60/384953660.db2.gz FLONELINGIOTNF-MWLCHTKSSA-N 0 3 227.308 0.468 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCC(O)CC2)C1 ZINC000557455798 384954102 /nfs/dbraw/zinc/95/41/02/384954102.db2.gz AAPICRRKKXGFPY-SNVBAGLBSA-N 0 3 226.320 0.312 20 0 BCADHN Fc1cccc(CNC[C@H]2CNCCO2)c1 ZINC000259018718 384955300 /nfs/dbraw/zinc/95/53/00/384955300.db2.gz YEHXXMRZDGSLFS-GFCCVEGCSA-N 0 3 224.279 0.904 20 0 BCADHN Fc1ccccc1CNC[C@H]1CNCCO1 ZINC000258973352 384955553 /nfs/dbraw/zinc/95/55/53/384955553.db2.gz TYHSYIFJVMMDQV-LLVKDONJSA-N 0 3 224.279 0.904 20 0 BCADHN C[C@@]1(CO)CCC[C@@H]1NCC(=O)NC1CC1 ZINC000309450445 384895658 /nfs/dbraw/zinc/89/56/58/384895658.db2.gz MJKWKMXKHPMKPY-JQWIXIFHSA-N 0 3 226.320 0.406 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCCOC(N)=O ZINC000497229768 384898387 /nfs/dbraw/zinc/89/83/87/384898387.db2.gz VSERFNIUGBNTFA-VIFPVBQESA-N 0 3 243.307 0.486 20 0 BCADHN CCN(CCNC(=O)NCCCOC)C1CC1 ZINC000101972146 384902262 /nfs/dbraw/zinc/90/22/62/384902262.db2.gz SEHUFGXMMDLWMW-UHFFFAOYSA-N 0 3 243.351 0.806 20 0 BCADHN CN1C[C@@H](CN2CC[C@H](O)C(C)(C)C2)OC1=O ZINC000497246683 384905462 /nfs/dbraw/zinc/90/54/62/384905462.db2.gz QNYZYVIVGGZEKJ-UWVGGRQHSA-N 0 3 242.319 0.530 20 0 BCADHN CC(C)N1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000491861383 384906706 /nfs/dbraw/zinc/90/67/06/384906706.db2.gz AMKIUFAVMHFNCR-WAYWQWQTSA-N 0 3 239.363 0.657 20 0 BCADHN O=C1NC[C@H](CN[C@@H]2CCO[C@@H]2C2CC2)O1 ZINC000365192131 384908601 /nfs/dbraw/zinc/90/86/01/384908601.db2.gz VHMNXMZYEIWKFT-IVZWLZJFSA-N 0 3 226.276 0.252 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@@H]1CCOC1 ZINC000127670690 384910019 /nfs/dbraw/zinc/91/00/19/384910019.db2.gz PMFJXXWLKNMVHF-RKDXNWHRSA-N 0 3 215.297 0.025 20 0 BCADHN CN1C[C@H](CN(CCO)CC2CC2)OC1=O ZINC000497249803 384914097 /nfs/dbraw/zinc/91/40/97/384914097.db2.gz GVJLUJKRYGBQNX-SNVBAGLBSA-N 0 3 228.292 0.141 20 0 BCADHN C[C@@H](CF)NC(=O)NC[C@H]1CCCN(C)C1 ZINC000644900804 384917496 /nfs/dbraw/zinc/91/74/96/384917496.db2.gz LRMUKFYMRRJWKR-VHSXEESVSA-N 0 3 231.315 0.985 20 0 BCADHN CCCCNC(=O)[C@@H](C)N1CC[C@@H](CO)C1 ZINC000225978984 384918175 /nfs/dbraw/zinc/91/81/75/384918175.db2.gz WZPCOFVGTVSHFS-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN CO[C@@H](C)CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366529396 384919515 /nfs/dbraw/zinc/91/95/15/384919515.db2.gz QBFORRFZCQKIQP-CIUDSAMLSA-N 0 3 218.272 0.228 20 0 BCADHN O=C(CC1CC1)NC[C@@H]1C[C@H](F)CN1 ZINC000366536414 384921226 /nfs/dbraw/zinc/92/12/26/384921226.db2.gz VOSOPGDAGIBANX-IUCAKERBSA-N 0 3 200.257 0.603 20 0 BCADHN C[C@@H](N(C)CC(=O)N1CCNC1=O)C1(C)CC1 ZINC000177234648 384924595 /nfs/dbraw/zinc/92/45/95/384924595.db2.gz LRYDAJYNHQXZCZ-SECBINFHSA-N 0 3 239.319 0.659 20 0 BCADHN CC[C@@H](C(=O)NCc1ccnn1C)N(C)C ZINC000127625618 384926648 /nfs/dbraw/zinc/92/66/48/384926648.db2.gz PZQROMRJRZFEIQ-JTQLQIEISA-N 0 3 224.308 0.377 20 0 BCADHN COC[C@@H](O)CNCc1cnn(C(C)C)c1 ZINC000164151431 384926889 /nfs/dbraw/zinc/92/68/89/384926889.db2.gz OBVSSLKHRKPJIO-NSHDSACASA-N 0 3 227.308 0.561 20 0 BCADHN CN(CCNC(=O)c1cnccc1N)C1CC1 ZINC000127669648 384929608 /nfs/dbraw/zinc/92/96/08/384929608.db2.gz DTMHYMOXXGCULF-UHFFFAOYSA-N 0 3 234.303 0.488 20 0 BCADHN COC[C@H](CCO)N[C@@H]1CCCc2n[nH]cc21 ZINC000367615138 384935233 /nfs/dbraw/zinc/93/52/33/384935233.db2.gz KAKFWODXTHZLNA-GXSJLCMTSA-N 0 3 239.319 0.774 20 0 BCADHN C[C@H](Cn1cncn1)NCc1cccn1C ZINC000164199237 384940254 /nfs/dbraw/zinc/94/02/54/384940254.db2.gz OFGBSANXDRCIQI-SNVBAGLBSA-N 0 3 219.292 0.795 20 0 BCADHN C[C@H](C(=O)NCCN(C)C)N1CC(C)C1 ZINC000557444015 384942984 /nfs/dbraw/zinc/94/29/84/384942984.db2.gz JURTXUNCJBXMAC-SNVBAGLBSA-N 0 3 213.325 0.004 20 0 BCADHN CC(C)N1C[C@@H](NC[C@H](O)C(C)(C)C)CC1=O ZINC000644535997 384943131 /nfs/dbraw/zinc/94/31/31/384943131.db2.gz BAHUDPAPUYMRQZ-QWRGUYRKSA-N 0 3 242.363 0.992 20 0 BCADHN C[C@@H]1CCC[C@H]1NC(=O)C1(N)CCOCC1 ZINC000149724006 384944179 /nfs/dbraw/zinc/94/41/79/384944179.db2.gz 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DRXJTSBKTODZSM-LLVKDONJSA-N 0 3 244.404 0.880 20 0 BCADHN CC1(C)COC[C@H]1NC[C@@H](O)C(F)(F)F ZINC000312972614 384973725 /nfs/dbraw/zinc/97/37/25/384973725.db2.gz AZDPTNFESIOGHG-RNFRBKRXSA-N 0 3 227.226 0.924 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000245393670 384976576 /nfs/dbraw/zinc/97/65/76/384976576.db2.gz DIBOWJBEHDJOOF-UWVGGRQHSA-N 0 3 241.335 0.228 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCCCO2)CCN1CCO ZINC000187707140 384976826 /nfs/dbraw/zinc/97/68/26/384976826.db2.gz AYQCBABKNUOXLT-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H](O)CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000085989726 384977286 /nfs/dbraw/zinc/97/72/86/384977286.db2.gz ZJOZVHXPBXYGPS-PWSUYJOCSA-N 0 3 236.315 0.616 20 0 BCADHN O=C([C@@H]1CNCCOC1)N1C[C@@H]2CCC[C@H]2C1 ZINC000643700330 384979395 /nfs/dbraw/zinc/97/93/95/384979395.db2.gz XFQILQQXPYASIQ-SDDRHHMPSA-N 0 3 238.331 0.481 20 0 BCADHN CN(C(=O)[C@@H]1CCCN1C)C1CCOCC1 ZINC000530585878 384980227 /nfs/dbraw/zinc/98/02/27/384980227.db2.gz 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/nfs/dbraw/zinc/08/31/82/385083182.db2.gz LAPORNSIEMBHMG-GARJFASQSA-N 0 3 226.320 0.500 20 0 BCADHN CC(=O)CCN1CCC[C@H]1CN1CCOCC1 ZINC000156995837 385041208 /nfs/dbraw/zinc/04/12/08/385041208.db2.gz APNNTOIMXRRMEW-ZDUSSCGKSA-N 0 3 240.347 0.762 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)[C@H]1CCCO1 ZINC000246097790 385108446 /nfs/dbraw/zinc/10/84/46/385108446.db2.gz XORARXMVNLHKOU-GARJFASQSA-N 0 3 249.376 0.967 20 0 BCADHN Cc1noc([C@H]2CCN(CC(C)(C)O)C2)n1 ZINC000408046605 385114406 /nfs/dbraw/zinc/11/44/06/385114406.db2.gz MEHGYWDGARJMIK-VIFPVBQESA-N 0 3 225.292 0.938 20 0 BCADHN CN(CCc1cccs1)[C@H]1COC[C@@H]1O ZINC000308796688 385114776 /nfs/dbraw/zinc/11/47/76/385114776.db2.gz KOUKCJYUWNEORF-QWRGUYRKSA-N 0 3 227.329 0.982 20 0 BCADHN CCN(C)C(=O)CN(C)C1CCOCC1 ZINC000530866371 385116678 /nfs/dbraw/zinc/11/66/78/385116678.db2.gz PCMJXVICOLBSFK-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN CO[C@H](CN)C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000227364574 385122288 /nfs/dbraw/zinc/12/22/88/385122288.db2.gz WTMVNHPDKYSUGB-HBNTYKKESA-N 0 3 228.336 0.997 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1cccc(C)c1 ZINC000227364816 385123720 /nfs/dbraw/zinc/12/37/20/385123720.db2.gz DLWKMQOUVVOOBV-GFCCVEGCSA-N 0 3 236.315 0.927 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccccc1N(C)C ZINC000227357742 385123849 /nfs/dbraw/zinc/12/38/49/385123849.db2.gz FPAOAUPMZYDIEM-NSHDSACASA-N 0 3 237.303 0.665 20 0 BCADHN CCN(CCCCS(C)(=O)=O)[C@H](C)CO ZINC000644706758 385125036 /nfs/dbraw/zinc/12/50/36/385125036.db2.gz LJDSAQDYHMMPGV-SNVBAGLBSA-N 0 3 237.365 0.514 20 0 BCADHN NC[C@@H](C(=O)NC[C@H]1CCOC1)c1ccccc1 ZINC000061611871 385125641 /nfs/dbraw/zinc/12/56/41/385125641.db2.gz RGFDMFTUYXGYOS-DGCLKSJQSA-N 0 3 248.326 0.882 20 0 BCADHN NC[C@@H](C(=O)NC[C@@H]1CCOC1)c1ccccc1 ZINC000061611868 385125859 /nfs/dbraw/zinc/12/58/59/385125859.db2.gz RGFDMFTUYXGYOS-WCQYABFASA-N 0 3 248.326 0.882 20 0 BCADHN OC[C@H]1[C@@H]2CN(Cc3ccncc3)C[C@H]12 ZINC000644714720 385129814 /nfs/dbraw/zinc/12/98/14/385129814.db2.gz YASFTQMVFHESKT-GDNZZTSVSA-N 0 3 204.273 0.752 20 0 BCADHN CN(C)Cc1ccc(C(=O)N2CC[C@@H](O)C2)cc1 ZINC000061705848 385131885 /nfs/dbraw/zinc/13/18/85/385131885.db2.gz QPEJSMSCDBGPEX-CYBMUJFWSA-N 0 3 248.326 0.955 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000227350554 385131946 /nfs/dbraw/zinc/13/19/46/385131946.db2.gz PUBDCKKMTGHASB-NEPJUHHUSA-N 0 3 249.314 0.719 20 0 BCADHN CC[C@H]1CCCN(C(=O)[C@H](CN)OC)CC1 ZINC000227385705 385133368 /nfs/dbraw/zinc/13/33/68/385133368.db2.gz MVQOOSCMXFOMIL-QWRGUYRKSA-N 0 3 228.336 0.999 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000227386216 385134540 /nfs/dbraw/zinc/13/45/40/385134540.db2.gz ODBBQLKCLQAWBQ-SFYZADRCSA-N 0 3 243.332 0.602 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1CC[C@H](C)[C@H]1C ZINC000177890922 385136124 /nfs/dbraw/zinc/13/61/24/385136124.db2.gz XZRVCUVZHYGJEB-YIZRAAEISA-N 0 3 227.308 0.561 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)c1cnsn1 ZINC000151874351 385137460 /nfs/dbraw/zinc/13/74/60/385137460.db2.gz PGTXRQRGTUIJMB-UHFFFAOYSA-N 0 3 242.348 0.950 20 0 BCADHN CCC1(CC)CCN(C(=O)[C@@H](CN)OC)C1 ZINC000227391619 385138014 /nfs/dbraw/zinc/13/80/14/385138014.db2.gz XGCBPJAHFVCVPX-SNVBAGLBSA-N 0 3 228.336 0.999 20 0 BCADHN CC(C(=O)N[C@@H]1CCC[C@H]1C)S(C)(=O)=O ZINC000407955444 385139970 /nfs/dbraw/zinc/13/99/70/385139970.db2.gz ICYSKWRGNPNKDV-HRDYMLBCSA-N 0 3 233.333 0.724 20 0 BCADHN C[C@H](O)CN1CCN(CCc2cccnc2)CC1 ZINC000189295397 385140028 /nfs/dbraw/zinc/14/00/28/385140028.db2.gz YMBWUTYXICHRAB-ZDUSSCGKSA-N 0 3 249.358 0.623 20 0 BCADHN CC(=O)N[C@@H]1CCCN([C@@H]2CCOC2)C1 ZINC000336329239 385085783 /nfs/dbraw/zinc/08/57/83/385085783.db2.gz DZLZGWCKDJIEDK-GHMZBOCLSA-N 0 3 212.293 0.376 20 0 BCADHN CS[C@@H](C)C(=O)N(C)CCN(C)C ZINC000177679272 385089589 /nfs/dbraw/zinc/08/95/89/385089589.db2.gz WWPZHMMJMIIARB-QMMMGPOBSA-N 0 3 204.339 0.758 20 0 BCADHN COC(=O)CCCN1C[C@H](O)C[C@H]1C ZINC000340915330 385092400 /nfs/dbraw/zinc/09/24/00/385092400.db2.gz SHLDNUDKZUMJAX-RKDXNWHRSA-N 0 3 201.266 0.395 20 0 BCADHN CO[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCCN2)C1 ZINC000235018609 385092534 /nfs/dbraw/zinc/09/25/34/385092534.db2.gz NAJWIPFAMSPABA-VWYCJHECSA-N 0 3 226.320 0.812 20 0 BCADHN OCCN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000177724506 385093232 /nfs/dbraw/zinc/09/32/32/385093232.db2.gz MUDRBOCUBJYPPO-JTQLQIEISA-N 0 3 236.319 0.396 20 0 BCADHN Cc1cc(CC(=O)N2CCN[C@@H](C)[C@@H]2C)no1 ZINC000262742740 385093576 /nfs/dbraw/zinc/09/35/76/385093576.db2.gz FDHOOFDASNOYRG-UWVGGRQHSA-N 0 3 237.303 0.734 20 0 BCADHN CNC(=O)CN1CCC2(CCOC2)CC1 ZINC000644679430 385093979 /nfs/dbraw/zinc/09/39/79/385093979.db2.gz JIYUPJDGUKYKDU-UHFFFAOYSA-N 0 3 212.293 0.235 20 0 BCADHN CCn1cnnc1C1CCN(CCO)CC1 ZINC000407948800 385095624 /nfs/dbraw/zinc/09/56/24/385095624.db2.gz KUZFLMNOCPULJY-UHFFFAOYSA-N 0 3 224.308 0.470 20 0 BCADHN C[C@H](CO[C@@H]1CCOC1)NCc1cncn1C ZINC000151243701 385096611 /nfs/dbraw/zinc/09/66/11/385096611.db2.gz DRIJEHBDGKZLAI-ZYHUDNBSSA-N 0 3 239.319 0.704 20 0 BCADHN Cc1cc(CN2CC[C@@H](CC(N)=O)C2)ncn1 ZINC000644693532 385101736 /nfs/dbraw/zinc/10/17/36/385101736.db2.gz HAYQRUBBRZJPMJ-JTQLQIEISA-N 0 3 234.303 0.482 20 0 BCADHN CN(C[C@@H]1CCCOC1)[C@H]1COC[C@@H]1O ZINC000308784814 385102234 /nfs/dbraw/zinc/10/22/34/385102234.db2.gz FIJGFYUIRRPESM-DCAQKATOSA-N 0 3 215.293 0.105 20 0 BCADHN C[C@H](N)C(=O)N(CCC(N)=O)c1ccccc1 ZINC000151921318 385141126 /nfs/dbraw/zinc/14/11/26/385141126.db2.gz KYPYXGDWOFRSSK-VIFPVBQESA-N 0 3 235.287 0.242 20 0 BCADHN CCN(C[C@@H]1CCCO1)[C@H]1COC[C@H]1O ZINC000308811348 385181361 /nfs/dbraw/zinc/18/13/61/385181361.db2.gz QKIQZSNQDMUMEM-GARJFASQSA-N 0 3 215.293 0.247 20 0 BCADHN CS[C@@H](CO)[C@H](C)NCc1cncn1C ZINC000152417209 385182042 /nfs/dbraw/zinc/18/20/42/385182042.db2.gz PRKDMGHINCOLIM-WPRPVWTQSA-N 0 3 229.349 0.622 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@@H](CO)C1CC1 ZINC000308834910 385201515 /nfs/dbraw/zinc/20/15/15/385201515.db2.gz HTAPYEWZNDPAKC-SCZZXKLOSA-N 0 3 235.349 0.028 20 0 BCADHN COC(=O)CCN[C@H](CO)c1ccccc1 ZINC000063002493 385201598 /nfs/dbraw/zinc/20/15/98/385201598.db2.gz SYOJZQCIPIYHTP-LLVKDONJSA-N 0 3 223.272 0.873 20 0 BCADHN c1ncc(CNCCN2CCCOCC2)s1 ZINC000289381298 385184680 /nfs/dbraw/zinc/18/46/80/385184680.db2.gz CLLUILOGOFIAJK-UHFFFAOYSA-N 0 3 241.360 0.955 20 0 BCADHN CC[C@H](F)CN1CCC[C@](O)(C(N)=O)C1 ZINC000408049209 385185623 /nfs/dbraw/zinc/18/56/23/385185623.db2.gz WWNINUWRRVIZPV-WCBMZHEXSA-N 0 3 218.272 0.047 20 0 BCADHN C[C@@H](N)C(=O)N1CCSC(C)(C)C1 ZINC000135076493 385186509 /nfs/dbraw/zinc/18/65/09/385186509.db2.gz JFLKGRICAPLGFY-SSDOTTSWSA-N 0 3 202.323 0.688 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644728412 385189218 /nfs/dbraw/zinc/18/92/18/385189218.db2.gz HSXARTVPSWSOCN-TUAOUCFPSA-N 0 3 239.363 0.537 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)CCc1c[nH]cn1 ZINC000280167972 385202048 /nfs/dbraw/zinc/20/20/48/385202048.db2.gz OQLMQIUGXHDHKT-LLVKDONJSA-N 0 3 236.319 0.553 20 0 BCADHN Cc1noc(CN2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000644728423 385191208 /nfs/dbraw/zinc/19/12/08/385191208.db2.gz GIPAINPROAWLHC-VHSXEESVSA-N 0 3 222.292 0.514 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644728493 385191916 /nfs/dbraw/zinc/19/19/16/385191916.db2.gz IDJQRQJNPZVDDV-MNOVXSKESA-N 0 3 225.336 0.147 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cnccn2)CN1C1CC1 ZINC000177177025 385195793 /nfs/dbraw/zinc/19/57/93/385195793.db2.gz WEJYSKFNKHATOW-NXEZZACHSA-N 0 3 246.314 0.832 20 0 BCADHN CN(C(=O)CN1CC[C@@H]2CN(C)C[C@@H]21)C1CC1 ZINC000644728670 385197192 /nfs/dbraw/zinc/19/71/92/385197192.db2.gz JGPURGVAMWVATL-PWSUYJOCSA-N 0 3 237.347 0.243 20 0 BCADHN Cc1cnn(CC(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000647058063 385197362 /nfs/dbraw/zinc/19/73/62/385197362.db2.gz LFQUJQVOBBYSFT-UWVGGRQHSA-N 0 3 240.282 0.008 20 0 BCADHN CCCC(=O)N(C)CCCN1CCN(C)CC1 ZINC000110019041 385202507 /nfs/dbraw/zinc/20/25/07/385202507.db2.gz KKWHGXWGSPUBPT-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CCOC[C@H](O)CNCc1ccc2cncn2c1 ZINC000564859036 385145521 /nfs/dbraw/zinc/14/55/21/385145521.db2.gz BZIKNAVQUVJEBF-CYBMUJFWSA-N 0 3 249.314 0.821 20 0 BCADHN C[C@H](NCCN1C(=O)CNC1=O)c1ccccc1 ZINC000129504029 385154320 /nfs/dbraw/zinc/15/43/20/385154320.db2.gz BUXDENWDTZNUSB-JTQLQIEISA-N 0 3 247.298 0.889 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)ncn1 ZINC000518787517 385157657 /nfs/dbraw/zinc/15/76/57/385157657.db2.gz HMPMCRWUMNTSHW-ZJUUUORDSA-N 0 3 234.303 0.607 20 0 BCADHN Cc1nocc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000402706066 385157706 /nfs/dbraw/zinc/15/77/06/385157706.db2.gz CORYLGMPVYBKHO-JGVFFNPUSA-N 0 3 223.276 0.805 20 0 BCADHN Cn1cc(CCN2C[C@H](O)C(C)(C)C2)cn1 ZINC000279637224 385159514 /nfs/dbraw/zinc/15/95/14/385159514.db2.gz APNLNPJVIWSKBX-NSHDSACASA-N 0 3 223.320 0.665 20 0 BCADHN OC[C@]1(O)CCCN(Cc2cccc(O)c2)C1 ZINC000313626431 385159881 /nfs/dbraw/zinc/15/98/81/385159881.db2.gz AECWEJGFRUJDIS-ZDUSSCGKSA-N 0 3 237.299 0.711 20 0 BCADHN CN(C)CCNC(=O)NC[C@H]1CCSC1 ZINC000448249404 385162161 /nfs/dbraw/zinc/16/21/61/385162161.db2.gz ODJASEGHFDSHJU-SECBINFHSA-N 0 3 231.365 0.600 20 0 BCADHN CC(C)c1nccn1CC(=O)N1CCNCC1 ZINC000020030568 385166330 /nfs/dbraw/zinc/16/63/30/385166330.db2.gz XIRDAGRIIVNBNK-UHFFFAOYSA-N 0 3 236.319 0.438 20 0 BCADHN c1n[nH]cc1CCNCc1cncnc1 ZINC000308806045 385171465 /nfs/dbraw/zinc/17/14/65/385171465.db2.gz AWODMNCPWIFKFV-UHFFFAOYSA-N 0 3 203.249 0.532 20 0 BCADHN CCO[C@H]1C[C@@H](NC2(C(N)=O)CC2)C12CCC2 ZINC000559783517 385171833 /nfs/dbraw/zinc/17/18/33/385171833.db2.gz XXQBCOUDMWPBSX-ZJUUUORDSA-N 0 3 238.331 0.942 20 0 BCADHN C[C@@H]1CCN(C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000647304743 385176636 /nfs/dbraw/zinc/17/66/36/385176636.db2.gz CROGMMIPRGNBAX-UTLUCORTSA-N 0 3 229.299 0.738 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccncc2)[C@@H](C)CN1 ZINC000062609464 385177850 /nfs/dbraw/zinc/17/78/50/385177850.db2.gz ILJQOBLVMHOHAA-ZJUUUORDSA-N 0 3 219.288 0.904 20 0 BCADHN CN(CCC1CCOCC1)[C@H]1CCNC1=O ZINC000178210006 385206128 /nfs/dbraw/zinc/20/61/28/385206128.db2.gz SVXNENZMLNAJRC-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN CN(CCC1CCOCC1)[C@@H]1CCNC1=O ZINC000178209992 385206148 /nfs/dbraw/zinc/20/61/48/385206148.db2.gz SVXNENZMLNAJRC-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)c1cn[nH]c1 ZINC000063125563 385212434 /nfs/dbraw/zinc/21/24/34/385212434.db2.gz DCQLDNHCRNYXQC-UHFFFAOYSA-N 0 3 236.319 0.824 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)c1nnc[n-]1)[NH+](C)C ZINC000165973422 385213991 /nfs/dbraw/zinc/21/39/91/385213991.db2.gz DQNRGUSGWGTUDX-YUMQZZPRSA-N 0 3 225.296 0.322 20 0 BCADHN CC(C)(N)C(=O)NCC1CCSCC1 ZINC000157563470 385214340 /nfs/dbraw/zinc/21/43/40/385214340.db2.gz BSBPMJRPESLGST-UHFFFAOYSA-N 0 3 216.350 0.983 20 0 BCADHN Cc1cnc(CN[C@H](C)CCCO)n1C ZINC000308852712 385215047 /nfs/dbraw/zinc/21/50/47/385215047.db2.gz OXMDFHPADDDCMM-SECBINFHSA-N 0 3 211.309 0.979 20 0 BCADHN CCC[C@H](C)CN1CCOC[C@@H]1CC(N)=O ZINC000449779059 385218015 /nfs/dbraw/zinc/21/80/15/385218015.db2.gz XDWWCPIDFRYKKE-QWRGUYRKSA-N 0 3 228.336 0.999 20 0 BCADHN N[C@H](C(=O)NC[C@@H]1CCC[C@@H]1O)C1CCC1 ZINC000331438758 385221621 /nfs/dbraw/zinc/22/16/21/385221621.db2.gz DXVOJSKNRWGVJW-DCAQKATOSA-N 0 3 226.320 0.391 20 0 BCADHN Cc1nc(C(=O)NC2CCN(C)CC2)no1 ZINC000136693781 385222337 /nfs/dbraw/zinc/22/23/37/385222337.db2.gz MSXBBOKEFQDCQT-UHFFFAOYSA-N 0 3 224.264 0.202 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000608985322 385226230 /nfs/dbraw/zinc/22/62/30/385226230.db2.gz PIHHYRUUTBOCFG-LPEHRKFASA-N 0 3 240.303 0.006 20 0 BCADHN Nc1cc2c(nn1)CCN(C1CCC1)C2 ZINC000308871627 385227435 /nfs/dbraw/zinc/22/74/35/385227435.db2.gz ZDTGXPWLSMVAST-UHFFFAOYSA-N 0 3 204.277 0.969 20 0 BCADHN CN(CCOCCO)C[C@@H]1CCC(C)(C)O1 ZINC000301016072 385229102 /nfs/dbraw/zinc/22/91/02/385229102.db2.gz IGMRXQNVFGISSH-NSHDSACASA-N 0 3 231.336 0.885 20 0 BCADHN O=C(CN[C@@H]1CCCSC1)NCC(F)F ZINC000308862954 385230764 /nfs/dbraw/zinc/23/07/64/385230764.db2.gz CIOACLHPSFTNCC-SSDOTTSWSA-N 0 3 238.303 0.853 20 0 BCADHN CSCCCN[C@H]1CCCS(=O)(=O)C1 ZINC000068941382 385231306 /nfs/dbraw/zinc/23/13/06/385231306.db2.gz RDDITHWQFHGBSH-VIFPVBQESA-N 0 3 237.390 0.906 20 0 BCADHN CCN1CCC[C@H](NC(=O)NCC(C)(C)O)C1 ZINC000108562014 385241106 /nfs/dbraw/zinc/24/11/06/385241106.db2.gz WFNKIXFNHFNGMT-JTQLQIEISA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H](N)C(=O)N(CCN(C)C)c1ccccc1 ZINC000166407156 385242207 /nfs/dbraw/zinc/24/22/07/385242207.db2.gz HQABWJLNUDJCNO-NSHDSACASA-N 0 3 235.331 0.928 20 0 BCADHN CSCCCNC(=O)[C@@H](N)CCSC ZINC000069013938 385242899 /nfs/dbraw/zinc/24/28/99/385242899.db2.gz UWZWZIGABKBWIE-QMMMGPOBSA-N 0 3 236.406 0.936 20 0 BCADHN CNC(=O)CCNCc1ccnn1C(C)C ZINC000279984216 385243903 /nfs/dbraw/zinc/24/39/03/385243903.db2.gz QRMXOLUMUJFDMR-UHFFFAOYSA-N 0 3 224.308 0.690 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)c1ccoc1 ZINC000153272794 385245915 /nfs/dbraw/zinc/24/59/15/385245915.db2.gz AQJADNJTDAULBE-NSHDSACASA-N 0 3 226.276 0.322 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2cnccn2)CCN1 ZINC000062617079 385246519 /nfs/dbraw/zinc/24/65/19/385246519.db2.gz OSJKATWFLWIELQ-LLVKDONJSA-N 0 3 234.303 0.547 20 0 BCADHN Cc1nnsc1C(=O)N(C)CCN(C)C ZINC000190548719 385248908 /nfs/dbraw/zinc/24/89/08/385248908.db2.gz WXAGXLNAXHTWCU-UHFFFAOYSA-N 0 3 228.321 0.480 20 0 BCADHN CC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC000156430573 385249985 /nfs/dbraw/zinc/24/99/85/385249985.db2.gz MYZZTILOPPWKDM-NSHDSACASA-N 0 3 241.335 0.064 20 0 BCADHN C[C@@H](N)C(=O)NCCN1c2ccccc2C[C@H]1C ZINC000166519750 385251096 /nfs/dbraw/zinc/25/10/96/385251096.db2.gz CDXHWMRSKGDSQY-GHMZBOCLSA-N 0 3 247.342 0.901 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC(O)(C2CC2)C1 ZINC000358501726 385252243 /nfs/dbraw/zinc/25/22/43/385252243.db2.gz NWLKQAHNNCIJPM-VIFPVBQESA-N 0 3 241.335 0.103 20 0 BCADHN CN(C)CCNC(=O)/C=C/c1cncc(F)c1 ZINC000130503904 385252298 /nfs/dbraw/zinc/25/22/98/385252298.db2.gz CSICXGOMZDODLM-ONEGZZNKSA-N 0 3 237.278 0.912 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1[O-] ZINC000647058401 385203323 /nfs/dbraw/zinc/20/33/23/385203323.db2.gz GQCWSYDPDMJZCA-IUCAKERBSA-N 0 3 238.262 0.822 20 0 BCADHN CCC1(NC(=O)C(C)S(C)(=O)=O)CCC1 ZINC000178587372 385303013 /nfs/dbraw/zinc/30/30/13/385303013.db2.gz ONUVLFJSQWFDEN-MRVPVSSYSA-N 0 3 233.333 0.868 20 0 BCADHN COC[C@@H](C)[NH2+]Cc1cnc(C)[n-]c1=O ZINC000308935479 385304086 /nfs/dbraw/zinc/30/40/86/385304086.db2.gz KSENSSPLLQFDQE-SSDOTTSWSA-N 0 3 211.265 0.615 20 0 BCADHN CC(C)N(C)CC(=O)NCC(C)(C)CCO ZINC000178604537 385304310 /nfs/dbraw/zinc/30/43/10/385304310.db2.gz PMSOZESPGDYASW-UHFFFAOYSA-N 0 3 230.352 0.851 20 0 BCADHN CN(CCNC(=O)c1ccn(C)n1)C1CC1 ZINC000589473947 385306094 /nfs/dbraw/zinc/30/60/94/385306094.db2.gz YFALNBOGPSIRGL-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1cnc[nH]1 ZINC000167307583 385309389 /nfs/dbraw/zinc/30/93/89/385309389.db2.gz IKNFDOMKUVUJEC-SECBINFHSA-N 0 3 222.292 0.624 20 0 BCADHN COC[C@H](C)CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000167432622 385313627 /nfs/dbraw/zinc/31/36/27/385313627.db2.gz CKRARUOAFPNXEK-GMTAPVOTSA-N 0 3 228.336 0.773 20 0 BCADHN CCC(CC)CNC(=O)C[C@H]1CNCCO1 ZINC000157963030 385316392 /nfs/dbraw/zinc/31/63/92/385316392.db2.gz QISGXPIDJZYMSY-NSHDSACASA-N 0 3 228.336 0.917 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H]1CCCN(C)C1=O ZINC000308964767 385316414 /nfs/dbraw/zinc/31/64/14/385316414.db2.gz UQBNGRNVWZRIIO-AEJSXWLSSA-N 0 3 214.309 0.620 20 0 BCADHN CC(C)(C)CCNC(=O)C[C@@H]1CNCCO1 ZINC000157954588 385318574 /nfs/dbraw/zinc/31/85/74/385318574.db2.gz PRQAFJXRXROUOE-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@@]1(O)CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC000178004307 385318791 /nfs/dbraw/zinc/31/87/91/385318791.db2.gz IOQVYFVLRNGJIF-CYBMUJFWSA-N 0 3 234.299 0.742 20 0 BCADHN CC(C)=CCNC(=O)C(C)S(C)(=O)=O ZINC000191741903 385320973 /nfs/dbraw/zinc/32/09/73/385320973.db2.gz HZSLBJWNGKOMKZ-MRVPVSSYSA-N 0 3 219.306 0.502 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@H]1CCC[C@@]1(C)CO ZINC000492233284 385321433 /nfs/dbraw/zinc/32/14/33/385321433.db2.gz SPPJTYLNWBEALP-HASJVIIQSA-N 0 3 240.347 0.772 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]CCC[S@@](C)=O)n1 ZINC000116918491 385321665 /nfs/dbraw/zinc/32/16/65/385321665.db2.gz BKFCRAFWDJXOQQ-INIZCTEOSA-N 0 3 242.344 0.954 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]CCC[S@](C)=O)n1 ZINC000116918490 385322165 /nfs/dbraw/zinc/32/21/65/385322165.db2.gz BKFCRAFWDJXOQQ-MRXNPFEDSA-N 0 3 242.344 0.954 20 0 BCADHN C[C@H](O)CN(CCOCC1CC1)[C@@H](C)CO ZINC000190816275 385261814 /nfs/dbraw/zinc/26/18/14/385261814.db2.gz ZENQTFPCODBTLU-QWRGUYRKSA-N 0 3 231.336 0.477 20 0 BCADHN Cc1nnc(NC(=O)C2(N)CCCC2)n1C ZINC000648170879 385262024 /nfs/dbraw/zinc/26/20/24/385262024.db2.gz DJEHDKPUOVPTLL-UHFFFAOYSA-N 0 3 223.280 0.334 20 0 BCADHN C[C@H](N)C(=O)NC[C@H](O)c1ccccc1F ZINC000153566322 385263842 /nfs/dbraw/zinc/26/38/42/385263842.db2.gz JRZBWSXNEDPXIF-XVKPBYJWSA-N 0 3 226.251 0.323 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H](O)c1ccccc1F ZINC000153566836 385263969 /nfs/dbraw/zinc/26/39/69/385263969.db2.gz JRZBWSXNEDPXIF-XCBNKYQSSA-N 0 3 226.251 0.323 20 0 BCADHN CN(C)CCNC(=O)Cc1n[nH]c2ccccc12 ZINC000130643756 385270528 /nfs/dbraw/zinc/27/05/28/385270528.db2.gz SFYHSLDNUCOSNQ-UHFFFAOYSA-N 0 3 246.314 0.783 20 0 BCADHN CCC(CC)[C@@H](O)CNC(=O)[C@]1(F)CCNC1 ZINC000157739715 385271663 /nfs/dbraw/zinc/27/16/63/385271663.db2.gz GDZZZAFNLWQIGW-JQWIXIFHSA-N 0 3 246.326 0.601 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCC[C@@H](O)CC1 ZINC000336364958 385279228 /nfs/dbraw/zinc/27/92/28/385279228.db2.gz KNQWMICDCOMYHW-GXSJLCMTSA-N 0 3 226.320 0.500 20 0 BCADHN COC[C@H](C)[C@@H](C)C(=O)N[C@H](C)CN(C)C ZINC000360609804 385280736 /nfs/dbraw/zinc/28/07/36/385280736.db2.gz GNLIBFBCCKRYQY-HBNTYKKESA-N 0 3 230.352 0.971 20 0 BCADHN CN(C[C@H]1CCOC1)C(=O)[C@@]1(F)CCNC1 ZINC000364240884 385286059 /nfs/dbraw/zinc/28/60/59/385286059.db2.gz YTVYDZNVTCNTPU-MWLCHTKSSA-N 0 3 230.283 0.183 20 0 BCADHN CCn1cc(CC(=O)N[C@@H](C)CN(C)C)cn1 ZINC000558026761 385286704 /nfs/dbraw/zinc/28/67/04/385286704.db2.gz SRCGTLUZUBHERG-JTQLQIEISA-N 0 3 238.335 0.512 20 0 BCADHN C[C@@H](O)C(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000558026595 385286880 /nfs/dbraw/zinc/28/68/80/385286880.db2.gz SYSDIJFNDYGEFE-QCNOEVLYSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCO[C@@H]1C ZINC000558031653 385287256 /nfs/dbraw/zinc/28/72/56/385287256.db2.gz POQLEVZSXRNALB-AEJSXWLSSA-N 0 3 214.309 0.478 20 0 BCADHN CCCOCC(=O)NCCN1CCCC1 ZINC000143943232 385287353 /nfs/dbraw/zinc/28/73/53/385287353.db2.gz FQWFJZFXNWWBSM-UHFFFAOYSA-N 0 3 214.309 0.625 20 0 BCADHN CC[C@H](N[C@@H]1CCC[C@H]1C(=O)NC)C(N)=O ZINC000330364900 385288677 /nfs/dbraw/zinc/28/86/77/385288677.db2.gz ZZRNPHNPUHJHRX-HRDYMLBCSA-N 0 3 227.308 0.805 20 0 BCADHN CN(C)CCNC(=O)c1ccc(F)cn1 ZINC000130860406 385290863 /nfs/dbraw/zinc/29/08/63/385290863.db2.gz WESWLMZJUVKINK-UHFFFAOYSA-N 0 3 211.240 0.512 20 0 BCADHN CCOC(C)(C)CNCc1cnnn1C ZINC000166947298 385290977 /nfs/dbraw/zinc/29/09/77/385290977.db2.gz GTELDAKGZLCWSC-UHFFFAOYSA-N 0 3 212.297 0.720 20 0 BCADHN CO[C@@](C)(C(=O)N[C@@H](C)CN(C)C)C1CC1 ZINC000360614114 385292348 /nfs/dbraw/zinc/29/23/48/385292348.db2.gz WMEXOHNZMMLXEM-JOYOIKCWSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H](CCNC(=O)/C=C/CN(C)C)[S@@](C)=O ZINC000492170452 385293730 /nfs/dbraw/zinc/29/37/30/385293730.db2.gz OZNYOIXIJWHYFB-BOYLYOHWSA-N 0 3 246.376 0.378 20 0 BCADHN Cn1cncc1CN[C@@H]1C[C@@H](O)C1(C)C ZINC000168166755 385296328 /nfs/dbraw/zinc/29/63/28/385296328.db2.gz CQUCUGAOVMUWEZ-NXEZZACHSA-N 0 3 209.293 0.669 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000307828667 385296408 /nfs/dbraw/zinc/29/64/08/385296408.db2.gz DSKCJCDPMCHEKM-GHMZBOCLSA-N 0 3 228.336 0.855 20 0 BCADHN CO[C@@H](CN[C@H]1CCC(=O)N(C)C1=O)C1CC1 ZINC000400136625 385298241 /nfs/dbraw/zinc/29/82/41/385298241.db2.gz DFPFQCFFVCVUIC-UWVGGRQHSA-N 0 3 240.303 0.148 20 0 BCADHN CO[C@@H]1C[C@H](N[C@H]2CCNC2=O)C1(C)C ZINC000308943520 385298851 /nfs/dbraw/zinc/29/88/51/385298851.db2.gz MXNPJRVEPZPSQQ-XHNCKOQMSA-N 0 3 212.293 0.278 20 0 BCADHN C[C@H](CC(N)=O)NC[C@@](C)(O)C(F)(F)F ZINC000308940596 385299941 /nfs/dbraw/zinc/29/99/41/385299941.db2.gz UTXNLMFSWMOSAC-IYSWYEEDSA-N 0 3 228.214 0.153 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](C)C(=O)NCC ZINC000037481490 385300406 /nfs/dbraw/zinc/30/04/06/385300406.db2.gz MLESHMGYDVLQKZ-LDYMZIIASA-N 0 3 229.324 0.145 20 0 BCADHN CCO[C@H](CN(C)C(C)(C)C(N)=O)C1CC1 ZINC000625449852 385300846 /nfs/dbraw/zinc/30/08/46/385300846.db2.gz ALUAFWIXJSMYFU-SNVBAGLBSA-N 0 3 228.336 0.997 20 0 BCADHN Cc1noc([C@H]2CCN(C[C@@H](C)O)C2)n1 ZINC000407994318 385334102 /nfs/dbraw/zinc/33/41/02/385334102.db2.gz BYAFLXILTXNODZ-APPZFPTMSA-N 0 3 211.265 0.548 20 0 BCADHN CC(C)[C@@H](CO)CNCc1cnnn1C ZINC000308990153 385334974 /nfs/dbraw/zinc/33/49/74/385334974.db2.gz KYGDPTYNRKCCAR-SECBINFHSA-N 0 3 212.297 0.169 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@H](N)C(C)C ZINC000308994375 385336363 /nfs/dbraw/zinc/33/63/63/385336363.db2.gz WXAKGYKLFLSPMP-IONNQARKSA-N 0 3 216.281 0.038 20 0 BCADHN Cn1cncc1CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644733244 385338329 /nfs/dbraw/zinc/33/83/29/385338329.db2.gz NILLQEHJYDYLES-CMPLNLGQSA-N 0 3 220.320 0.556 20 0 BCADHN COc1ccc(CNC[C@H]2COCCO2)cn1 ZINC000158094787 385341376 /nfs/dbraw/zinc/34/13/76/385341376.db2.gz CCDFJOOGKVFWEE-NSHDSACASA-N 0 3 238.287 0.595 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000643979052 385341959 /nfs/dbraw/zinc/34/19/59/385341959.db2.gz VIMZGRSWUMKCFO-RYUDHWBXSA-N 0 3 240.347 0.604 20 0 BCADHN CC(C(=O)NC[C@@H]1C[C@H]1C)S(C)(=O)=O ZINC000407998157 385344681 /nfs/dbraw/zinc/34/46/81/385344681.db2.gz PBCHVXNARZQQJE-CSMHCCOUSA-N 0 3 219.306 0.192 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC000178233422 385345593 /nfs/dbraw/zinc/34/55/93/385345593.db2.gz OFNJKGKJMKCHHH-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC000178233409 385345817 /nfs/dbraw/zinc/34/58/17/385345817.db2.gz OFNJKGKJMKCHHH-JTQLQIEISA-N 0 3 236.319 0.586 20 0 BCADHN CO[C@H](CN)C(=O)N(C)c1ccc(F)c(F)c1 ZINC000643983072 385346342 /nfs/dbraw/zinc/34/63/42/385346342.db2.gz JUEVWBIUYGLFGD-SNVBAGLBSA-N 0 3 244.241 0.901 20 0 BCADHN CCOCCNC(=O)[C@@H]1CNCCC1(F)F ZINC000643979774 385346918 /nfs/dbraw/zinc/34/69/18/385346918.db2.gz LAJWNZAMXAHXAV-QMMMGPOBSA-N 0 3 236.262 0.384 20 0 BCADHN CCC(=O)N[C@@H]1CCCN(CC(C)(C)O)C1 ZINC000303990705 385348532 /nfs/dbraw/zinc/34/85/32/385348532.db2.gz LIQRUABRGHKXIW-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN COc1ccc(CN2CC[C@@H]3CN(C)C[C@@H]32)nn1 ZINC000644735048 385351752 /nfs/dbraw/zinc/35/17/52/385351752.db2.gz PHORGPNEYFERMV-PWSUYJOCSA-N 0 3 248.330 0.621 20 0 BCADHN COc1ccc(CN[C@H]2CCC(=O)NC2)cn1 ZINC000158110471 385352285 /nfs/dbraw/zinc/35/22/85/385352285.db2.gz DSUWSSZIUHWOQB-JTQLQIEISA-N 0 3 235.287 0.458 20 0 BCADHN CCc1nnc(CN2CC[C@H]3CN(C)C[C@@H]32)[nH]1 ZINC000644735271 385352357 /nfs/dbraw/zinc/35/23/57/385352357.db2.gz RRLQQWNYQRTSAL-UWVGGRQHSA-N 0 3 235.335 0.503 20 0 BCADHN Cc1ccc(CC(=O)NCCN(C)C)cc1O ZINC000154752306 385353541 /nfs/dbraw/zinc/35/35/41/385353541.db2.gz RAFWVEFSEHSAPC-UHFFFAOYSA-N 0 3 236.315 0.921 20 0 BCADHN CN1C[C@@H]2CCN(CC(=O)NC(C)(C)C)[C@@H]2C1 ZINC000644734227 385353895 /nfs/dbraw/zinc/35/38/95/385353895.db2.gz MWFSSYSLIFCPJP-WDEREUQCSA-N 0 3 239.363 0.537 20 0 BCADHN C[C@H](N)C(=O)N1CCCN(CC(F)F)CC1 ZINC000158140241 385355483 /nfs/dbraw/zinc/35/54/83/385355483.db2.gz PZANDOXUOQNMAE-QMMMGPOBSA-N 0 3 235.278 0.133 20 0 BCADHN CCCNC(=O)CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000644734687 385356812 /nfs/dbraw/zinc/35/68/12/385356812.db2.gz SVSNPGBZUVMXRO-QWRGUYRKSA-N 0 3 225.336 0.149 20 0 BCADHN CCn1nncc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000408002229 385361225 /nfs/dbraw/zinc/36/12/25/385361225.db2.gz CXXVMLXNVFAMLN-VIFPVBQESA-N 0 3 237.307 0.074 20 0 BCADHN CN(C)CCN(Cc1cccs1)C(=O)CN ZINC000076623962 385361580 /nfs/dbraw/zinc/36/15/80/385361580.db2.gz YSOVJYCVFZJBQT-UHFFFAOYSA-N 0 3 241.360 0.597 20 0 BCADHN C[C@H](N[C@@H]1CC(=O)N(C)C1)[C@@H]1CCCO1 ZINC000309001335 385363368 /nfs/dbraw/zinc/36/33/68/385363368.db2.gz LNKLMGXGTOTRRJ-AEJSXWLSSA-N 0 3 212.293 0.374 20 0 BCADHN NS(=O)(=O)[C@@H]1CCN(CCC2CCCC2)C1 ZINC000408005204 385364300 /nfs/dbraw/zinc/36/43/00/385364300.db2.gz PQYYEDWRDFVBJB-LLVKDONJSA-N 0 3 246.376 0.930 20 0 BCADHN NS(=O)(=O)[C@H]1CCN(CCC2CCCC2)C1 ZINC000408005210 385364380 /nfs/dbraw/zinc/36/43/80/385364380.db2.gz PQYYEDWRDFVBJB-NSHDSACASA-N 0 3 246.376 0.930 20 0 BCADHN Cc1cnn([C@H]2CCCN(C(=O)C3(N)CC3)C2)c1 ZINC000168348708 385364777 /nfs/dbraw/zinc/36/47/77/385364777.db2.gz MDZMPNMQIDPNKI-NSHDSACASA-N 0 3 248.330 0.846 20 0 BCADHN NC(=O)CC1CCN([C@@H]2CCOC2)CC1 ZINC000408059099 385371404 /nfs/dbraw/zinc/37/14/04/385371404.db2.gz GDKQJIIBHBVVSL-SNVBAGLBSA-N 0 3 212.293 0.363 20 0 BCADHN Cc1cnn(C)c1CN[C@@H](C)C[S@](C)=O ZINC000309016606 385371676 /nfs/dbraw/zinc/37/16/76/385371676.db2.gz USQPJGAGLCLMOR-VFZGTOFNSA-N 0 3 229.349 0.585 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCOC1 ZINC000161604537 385375518 /nfs/dbraw/zinc/37/55/18/385375518.db2.gz HWQUARMQJZFOSI-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN COCC[C@H](C)NC(=O)[C@@H](N)CC(F)F ZINC000309064826 385390530 /nfs/dbraw/zinc/39/05/30/385390530.db2.gz YPZFANKZSGILIS-BQBZGAKWSA-N 0 3 224.251 0.510 20 0 BCADHN CCC1(CNCc2ccnn2C)COC1 ZINC000309031904 385379809 /nfs/dbraw/zinc/37/98/09/385379809.db2.gz FHWDCOPNQORAEQ-UHFFFAOYSA-N 0 3 209.293 0.936 20 0 BCADHN CC[C@@H](COC)NC(=O)[C@H](N)CC(F)F ZINC000309032186 385380774 /nfs/dbraw/zinc/38/07/74/385380774.db2.gz CKMUTSFJGZRUDH-NKWVEPMBSA-N 0 3 224.251 0.510 20 0 BCADHN C[C@]1(NC(=O)[C@@H](N)CC(F)F)CCOC1 ZINC000309048541 385381917 /nfs/dbraw/zinc/38/19/17/385381917.db2.gz OGBZRRHAQYELQW-RCOVLWMOSA-N 0 3 222.235 0.264 20 0 BCADHN C/C=C\C[C@@H](CO)NCc1ccnn1C ZINC000309036335 385382166 /nfs/dbraw/zinc/38/21/66/385382166.db2.gz IJEDJESBSVGHCM-XOULXFPDSA-N 0 3 209.293 0.837 20 0 BCADHN COC(=O)c1ccc(CN[C@@H](C)CN(C)C)[nH]1 ZINC000168712311 385382383 /nfs/dbraw/zinc/38/23/83/385382383.db2.gz ZDXWAMKDXSNFOZ-VIFPVBQESA-N 0 3 239.319 0.841 20 0 BCADHN C[C@@H]1OCC[C@H]1NC(=O)[C@H](N)CC(F)F ZINC000309035090 385382616 /nfs/dbraw/zinc/38/26/16/385382616.db2.gz FLKPTSKDGJRDRT-RRKCRQDMSA-N 0 3 222.235 0.263 20 0 BCADHN C[C@H](O)CN(CCO)C[C@@H]1CCCCO1 ZINC000308985230 385325315 /nfs/dbraw/zinc/32/53/15/385325315.db2.gz GINWKLPAWAZOCT-QWRGUYRKSA-N 0 3 217.309 0.231 20 0 BCADHN CCC[C@@H](O)CN(C)CCOCCOC ZINC000308984110 385325400 /nfs/dbraw/zinc/32/54/00/385325400.db2.gz GAMJKFQXHGIQLG-LLVKDONJSA-N 0 3 219.325 0.742 20 0 BCADHN COC(=O)[C@H](C)N[C@H]1CCCN(C)[C@@H]1C ZINC000308971168 385327134 /nfs/dbraw/zinc/32/71/34/385327134.db2.gz ZMUWRMMTCBHQCD-AEJSXWLSSA-N 0 3 214.309 0.620 20 0 BCADHN Cc1cnn(C)c1CNCCC[C@H](C)O ZINC000309044963 385388560 /nfs/dbraw/zinc/38/85/60/385388560.db2.gz NVMBTFCECVELRZ-JTQLQIEISA-N 0 3 211.309 0.979 20 0 BCADHN O=C(CN1CCNCC1)N1CCCC(F)(F)C1 ZINC000259408054 385424826 /nfs/dbraw/zinc/42/48/26/385424826.db2.gz IBYOAQQKHIEZBM-UHFFFAOYSA-N 0 3 247.289 0.149 20 0 BCADHN CC1(C)CNCCN1C(=O)c1ccnc(CN)c1 ZINC000644075807 385425185 /nfs/dbraw/zinc/42/51/85/385425185.db2.gz MPOPIPAAZBVHAQ-UHFFFAOYSA-N 0 3 248.330 0.364 20 0 BCADHN O=C1CCCCN1[C@@H]1CCCN(CCO)C1 ZINC000309056599 385393917 /nfs/dbraw/zinc/39/39/17/385393917.db2.gz OMIFQHMTKUHGKO-LLVKDONJSA-N 0 3 226.320 0.456 20 0 BCADHN O=C1CCCCN1[C@H]1CCCN(CCO)C1 ZINC000309056600 385394086 /nfs/dbraw/zinc/39/40/86/385394086.db2.gz OMIFQHMTKUHGKO-NSHDSACASA-N 0 3 226.320 0.456 20 0 BCADHN CCC1(CNCc2cncn2C)COC1 ZINC000309056446 385394618 /nfs/dbraw/zinc/39/46/18/385394618.db2.gz UQFVHQIRHXNHSU-UHFFFAOYSA-N 0 3 209.293 0.936 20 0 BCADHN CN(C)CCCNC(=O)c1cc(C=O)c[nH]1 ZINC000170235018 385425195 /nfs/dbraw/zinc/42/51/95/385425195.db2.gz MEEGIBSFSSPERB-UHFFFAOYSA-N 0 3 223.276 0.509 20 0 BCADHN O=C([C@@H]1CNCCC1(F)F)N1CCCOCC1 ZINC000644048261 385394940 /nfs/dbraw/zinc/39/49/40/385394940.db2.gz AXHVKEYPAPFYDH-VIFPVBQESA-N 0 3 248.273 0.480 20 0 BCADHN Cc1cn[nH]c1CN[C@H](CO)CC(F)F ZINC000309076932 385397564 /nfs/dbraw/zinc/39/75/64/385397564.db2.gz LOVFLCBSMANLHP-ZETCQYMHSA-N 0 3 219.235 0.824 20 0 BCADHN C[C@@H](N)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000168971331 385397671 /nfs/dbraw/zinc/39/76/71/385397671.db2.gz BQDBPYKGPCJHSL-SCZZXKLOSA-N 0 3 222.292 0.811 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)C(=O)NCc1ccccc1 ZINC000155613362 385399717 /nfs/dbraw/zinc/39/97/17/385399717.db2.gz YPOXGWBDGXWXEO-NXEZZACHSA-N 0 3 249.314 0.155 20 0 BCADHN Cn1cccc(NC(=O)[C@@H]2NCC2(C)C)c1=O ZINC000644051981 385399777 /nfs/dbraw/zinc/39/97/77/385399777.db2.gz YTWNHFSGSONJIZ-VIFPVBQESA-N 0 3 235.287 0.322 20 0 BCADHN COCCCCCNC(=O)[C@@H]1NCC1(C)C ZINC000644054003 385405246 /nfs/dbraw/zinc/40/52/46/385405246.db2.gz KSTUOUIUBHEWJS-JTQLQIEISA-N 0 3 228.336 0.917 20 0 BCADHN COCCCCCNC(=O)[C@H]1NCC1(C)C ZINC000644054004 385405305 /nfs/dbraw/zinc/40/53/05/385405305.db2.gz KSTUOUIUBHEWJS-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CC[C@]2(CCOC2)C1 ZINC000644054832 385406385 /nfs/dbraw/zinc/40/63/85/385406385.db2.gz BTZLNGPARJASBE-GWCFXTLKSA-N 0 3 238.331 0.623 20 0 BCADHN CC[C@H]1CCCN1CC(=O)NC(=O)NC1CC1 ZINC000408014884 385406903 /nfs/dbraw/zinc/40/69/03/385406903.db2.gz VOPIJEQLWITQTP-JTQLQIEISA-N 0 3 239.319 0.849 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H]2OCCC[C@H]2C1 ZINC000372037833 385409384 /nfs/dbraw/zinc/40/93/84/385409384.db2.gz QSFLXHTWUJVIQQ-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000307731878 385411130 /nfs/dbraw/zinc/41/11/30/385411130.db2.gz KTMCSDMFLHWPER-XSPKLOCKSA-N 0 3 200.282 0.276 20 0 BCADHN C[C@@H](N)C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000178749655 385417958 /nfs/dbraw/zinc/41/79/58/385417958.db2.gz XCNSBQJSXNUWJE-SECBINFHSA-N 0 3 245.286 0.612 20 0 BCADHN CO[C@H](CN)C(=O)N(C)C(C1CC1)C1CC1 ZINC000353126828 385418531 /nfs/dbraw/zinc/41/85/31/385418531.db2.gz HYRBKOKZJFRJTO-SNVBAGLBSA-N 0 3 226.320 0.607 20 0 BCADHN CN1CCC[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000590104039 385423406 /nfs/dbraw/zinc/42/34/06/385423406.db2.gz GJUXRMSQXSDQJB-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](NCCNS(C)(=O)=O)c1cccs1 ZINC000020203172 385439362 /nfs/dbraw/zinc/43/93/62/385439362.db2.gz NMKOCMPQJBJYQT-MRVPVSSYSA-N 0 3 248.373 0.948 20 0 BCADHN Cc1[nH]ncc1CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408062576 385441923 /nfs/dbraw/zinc/44/19/23/385441923.db2.gz NBTWSUXBJSRQLZ-SNVBAGLBSA-N 0 3 243.332 0.337 20 0 BCADHN CO[C@H](CN[C@@](C)(C(N)=O)C(C)C)C1CC1 ZINC000400270858 385442615 /nfs/dbraw/zinc/44/26/15/385442615.db2.gz MMBFDKPDDZXULA-ZYHUDNBSSA-N 0 3 228.336 0.901 20 0 BCADHN C[C@H](CN)N(C)C(=O)C(=O)Nc1ccccc1 ZINC000179188076 385450295 /nfs/dbraw/zinc/45/02/95/385450295.db2.gz USMIUTFYFFYMDM-SECBINFHSA-N 0 3 235.287 0.431 20 0 BCADHN COC[C@H](N[C@H]1CCOC1)[C@@H]1CCCO1 ZINC000336766897 385451516 /nfs/dbraw/zinc/45/15/16/385451516.db2.gz SCGRENUJQMBUNB-DCAQKATOSA-N 0 3 215.293 0.559 20 0 BCADHN CN(C)CC1(NC(=O)c2cn[nH]c2)CCC1 ZINC000281853414 385453319 /nfs/dbraw/zinc/45/33/19/385453319.db2.gz YDJMVBHMPVRJGP-UHFFFAOYSA-N 0 3 222.292 0.624 20 0 BCADHN CC[C@H](N[C@H]1CCCC[C@@H]1OC)C(N)=O ZINC000309140168 385432741 /nfs/dbraw/zinc/43/27/41/385432741.db2.gz GXUKNEJVQGWIAY-GUBZILKMSA-N 0 3 214.309 0.798 20 0 BCADHN CC[C@@H](CO)N1CCN(C[C@@H](C)OC)CC1 ZINC000182196806 385433816 /nfs/dbraw/zinc/43/38/16/385433816.db2.gz INSXSSRNORNWBL-NEPJUHHUSA-N 0 3 230.352 0.410 20 0 BCADHN CC[C@H](NCC(=O)NC1CC1)[C@@H]1CCCO1 ZINC000182267145 385436034 /nfs/dbraw/zinc/43/60/34/385436034.db2.gz RYBDTYKXTANFFM-QWRGUYRKSA-N 0 3 226.320 0.812 20 0 BCADHN C[C@H](O)CN[C@@H](CO)c1ccc(F)cc1 ZINC000281453738 385436636 /nfs/dbraw/zinc/43/66/36/385436636.db2.gz UVIUIRAZQHRENY-KWQFWETISA-N 0 3 213.252 0.830 20 0 BCADHN CC(C)(C)OC[C@@H](O)CN1C[C@H](O)C2(CC2)C1 ZINC000364434192 385436864 /nfs/dbraw/zinc/43/68/64/385436864.db2.gz LPMJMUYDJGPGDG-QWRGUYRKSA-N 0 3 243.347 0.619 20 0 BCADHN Cc1ocnc1C(=O)NC[C@H]1CCCN1C ZINC000171100471 385468260 /nfs/dbraw/zinc/46/82/60/385468260.db2.gz VRSROJPTGPBWHD-SECBINFHSA-N 0 3 223.276 0.807 20 0 BCADHN COC[C@H](C)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000156766323 385468697 /nfs/dbraw/zinc/46/86/97/385468697.db2.gz RMBGZOAQJAUJDF-QMMMGPOBSA-N 0 3 235.287 0.981 20 0 BCADHN Cc1n[nH]cc1CN[C@@H](CO)CC(F)F ZINC000309200174 385473872 /nfs/dbraw/zinc/47/38/72/385473872.db2.gz REELJAXIERDVBJ-MRVPVSSYSA-N 0 3 219.235 0.824 20 0 BCADHN c1ncn([C@H]2CCN(CC3=CCCOC3)C2)n1 ZINC000364513853 385475183 /nfs/dbraw/zinc/47/51/83/385475183.db2.gz WFFPOUYCKMILLL-LBPRGKRZSA-N 0 3 234.303 0.872 20 0 BCADHN CN(C)CC(=O)NCCN(C)Cc1ccccc1 ZINC000171392877 385481809 /nfs/dbraw/zinc/48/18/09/385481809.db2.gz SJTRYEPWALWSBU-UHFFFAOYSA-N 0 3 249.358 0.796 20 0 BCADHN Cc1n[nH]c(C)c1CN1CC[C@H](C(N)=O)C1 ZINC000157077326 385484950 /nfs/dbraw/zinc/48/49/50/385484950.db2.gz HPCKTKHCHXGSGG-VIFPVBQESA-N 0 3 222.292 0.334 20 0 BCADHN CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1c[n-]nn1 ZINC000309198584 385460813 /nfs/dbraw/zinc/46/08/13/385460813.db2.gz DVRCACMZVSPYJP-QMMMGPOBSA-N 0 3 225.296 0.263 20 0 BCADHN CC(C)[N@H+](C)C[C@H](C)NC(=O)c1c[n-]nn1 ZINC000309198584 385460819 /nfs/dbraw/zinc/46/08/19/385460819.db2.gz DVRCACMZVSPYJP-QMMMGPOBSA-N 0 3 225.296 0.263 20 0 BCADHN CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cnn[n-]1 ZINC000309198584 385460821 /nfs/dbraw/zinc/46/08/21/385460821.db2.gz DVRCACMZVSPYJP-QMMMGPOBSA-N 0 3 225.296 0.263 20 0 BCADHN CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cnn[n-]1 ZINC000309198584 385460825 /nfs/dbraw/zinc/46/08/25/385460825.db2.gz DVRCACMZVSPYJP-QMMMGPOBSA-N 0 3 225.296 0.263 20 0 BCADHN CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cn[n-]n1 ZINC000309198584 385460829 /nfs/dbraw/zinc/46/08/29/385460829.db2.gz DVRCACMZVSPYJP-QMMMGPOBSA-N 0 3 225.296 0.263 20 0 BCADHN CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cn[n-]n1 ZINC000309198584 385460831 /nfs/dbraw/zinc/46/08/31/385460831.db2.gz DVRCACMZVSPYJP-QMMMGPOBSA-N 0 3 225.296 0.263 20 0 BCADHN C[C@@H](NCCn1cncn1)c1cnn(C)c1 ZINC000309198067 385460986 /nfs/dbraw/zinc/46/09/86/385460986.db2.gz KPQYAZLXJCDJKT-SECBINFHSA-N 0 3 220.280 0.362 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@@H](C)COC ZINC000121040832 385463264 /nfs/dbraw/zinc/46/32/64/385463264.db2.gz CVNUQMWIBWKOQJ-ZJUUUORDSA-N 0 3 237.365 0.682 20 0 BCADHN CC(C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000110484842 385493422 /nfs/dbraw/zinc/49/34/22/385493422.db2.gz HFOSULDGRBIEQD-GHMZBOCLSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](O)CN1CCC[C@@H](n2cccn2)C1 ZINC000334192848 385517587 /nfs/dbraw/zinc/51/75/87/385517587.db2.gz QUJWGMPYDSMQBN-WDEREUQCSA-N 0 3 209.293 0.901 20 0 BCADHN CCN(CC)CCCS(=O)(=O)NC ZINC000111195027 385499721 /nfs/dbraw/zinc/49/97/21/385499721.db2.gz CPFSAKHJFPSULN-UHFFFAOYSA-N 0 3 208.327 0.268 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](N)CCC(=O)OC ZINC000336725291 385499837 /nfs/dbraw/zinc/49/98/37/385499837.db2.gz BLCRDYMPUUJHNS-HTQZYQBOSA-N 0 3 216.281 0.182 20 0 BCADHN CNS(=O)(=O)CCCN1CCCC1 ZINC000111191874 385500638 /nfs/dbraw/zinc/50/06/38/385500638.db2.gz UWMBBXJGLRWVHF-UHFFFAOYSA-N 0 3 206.311 0.022 20 0 BCADHN C[C@H](C(=O)N1CC[C@H]2CN(C)C[C@H]21)n1cncn1 ZINC000644811756 385518418 /nfs/dbraw/zinc/51/84/18/385518418.db2.gz CAMGCCHISSRRDC-OUAUKWLOSA-N 0 3 249.318 0.002 20 0 BCADHN CN(C)CCNC(=O)CCCCc1c[nH]nn1 ZINC000157432235 385502171 /nfs/dbraw/zinc/50/21/71/385502171.db2.gz IFHBJRPDSNPGCM-UHFFFAOYSA-N 0 3 239.323 0.195 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)CC(F)F)[C@@H]1CCCO1 ZINC000309296315 385518467 /nfs/dbraw/zinc/51/84/67/385518467.db2.gz KUSFJMYYKKJMKU-FXQIFTODSA-N 0 3 236.262 0.653 20 0 BCADHN C[C@@H]1CN(c2cc3c(nn2)CCC3)CCN1 ZINC000643008142 385505551 /nfs/dbraw/zinc/50/55/51/385505551.db2.gz IQNHZEUQDZNDQN-SECBINFHSA-N 0 3 218.304 0.763 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccncn3)[C@@H]2C1 ZINC000644810822 385507077 /nfs/dbraw/zinc/50/70/77/385507077.db2.gz LSBNXYLJBOBKQV-MWLCHTKSSA-N 0 3 232.287 0.253 20 0 BCADHN C[C@@H](CO)CCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000364731411 385507182 /nfs/dbraw/zinc/50/71/82/385507182.db2.gz AZNOJPGPBUYOLJ-KXUCPTDWSA-N 0 3 232.299 0.211 20 0 BCADHN CCOCCN1CCN(C[C@@H](O)CC)CC1 ZINC000106386511 385507394 /nfs/dbraw/zinc/50/73/94/385507394.db2.gz NXTAKSBTZSWFHK-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN Cc1c[nH]nc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644811033 385507886 /nfs/dbraw/zinc/50/78/86/385507886.db2.gz XNMCZIKUUOTYJJ-NXEZZACHSA-N 0 3 234.303 0.494 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccn(CCOC)n1 ZINC000157559590 385508260 /nfs/dbraw/zinc/50/82/60/385508260.db2.gz LHWRVWVZUZHYBY-QMMMGPOBSA-N 0 3 226.280 0.205 20 0 BCADHN CNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000636575140 385512898 /nfs/dbraw/zinc/51/28/98/385512898.db2.gz VSDMRQLSPJMNPU-UHFFFAOYSA-N 0 3 237.307 0.901 20 0 BCADHN CC[C@@H](C)N(CCO)CC(=O)NCC1CC1 ZINC000309290165 385515774 /nfs/dbraw/zinc/51/57/74/385515774.db2.gz JOXDAVFIDNNRLB-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN Cc1ccoc1CN1CC[C@H](C(N)=O)C1 ZINC000157185133 385489996 /nfs/dbraw/zinc/48/99/96/385489996.db2.gz MDURXWZEADGPKO-VIFPVBQESA-N 0 3 208.261 0.895 20 0 BCADHN C[C@H](NCCN1CCNC1=O)c1cnn(C)c1 ZINC000336724206 385489985 /nfs/dbraw/zinc/48/99/85/385489985.db2.gz ZHNYNBAKASZSDU-VIFPVBQESA-N 0 3 237.307 0.096 20 0 BCADHN O=C(C[C@@H]1CCOC1)NC[C@@H]1C[C@H](F)CN1 ZINC000644143416 385531709 /nfs/dbraw/zinc/53/17/09/385531709.db2.gz NAGJBUXBHNPUAL-GUBZILKMSA-N 0 3 230.283 0.229 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccncc3F)[C@H]2C1 ZINC000644812794 385533611 /nfs/dbraw/zinc/53/36/11/385533611.db2.gz FECGCEXMGDUCIB-SKDRFNHKSA-N 0 3 249.289 0.997 20 0 BCADHN CN(C)CCNC(=O)Nc1ccn(C)n1 ZINC000180666676 385536777 /nfs/dbraw/zinc/53/67/77/385536777.db2.gz KLNHNTQETPUGTI-UHFFFAOYSA-N 0 3 211.269 0.103 20 0 BCADHN CN(CCn1cccn1)C[C@H](O)Cn1cccn1 ZINC000171966845 385537908 /nfs/dbraw/zinc/53/79/08/385537908.db2.gz ZQHIORSIXBXQKY-LBPRGKRZSA-N 0 3 249.318 0.073 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644813030 385539382 /nfs/dbraw/zinc/53/93/82/385539382.db2.gz FIGPVHLWBIGQFD-FIQHERPVSA-N 0 3 238.331 0.574 20 0 BCADHN CC[C@](C)(CN[C@]1(CO)CCOC1)OC ZINC000319043954 385539642 /nfs/dbraw/zinc/53/96/42/385539642.db2.gz LPWXSGLYECTUMJ-MNOVXSKESA-N 0 3 217.309 0.543 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644813028 385539877 /nfs/dbraw/zinc/53/98/77/385539877.db2.gz FIGPVHLWBIGQFD-BJDJZHNGSA-N 0 3 238.331 0.574 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000644152417 385548939 /nfs/dbraw/zinc/54/89/39/385548939.db2.gz IJAYUWAMOQYTNW-OUAUKWLOSA-N 0 3 242.319 0.034 20 0 BCADHN Cc1sccc1CNCCc1nnnn1C ZINC000378849318 385541642 /nfs/dbraw/zinc/54/16/42/385541642.db2.gz CSROGOZAYQTCBW-UHFFFAOYSA-N 0 3 237.332 0.912 20 0 BCADHN CC[C@H](N)C(=O)NCCCc1cnn(C)c1 ZINC000158046452 385545755 /nfs/dbraw/zinc/54/57/55/385545755.db2.gz PKCZDDORWUASCI-JTQLQIEISA-N 0 3 224.308 0.206 20 0 BCADHN CC(C)[C@H](C(=O)NCCn1cccn1)N(C)C ZINC000106910088 385546453 /nfs/dbraw/zinc/54/64/53/385546453.db2.gz UPTKLYMKYDGQFM-LLVKDONJSA-N 0 3 238.335 0.586 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3c[nH]cn3)[C@@H]2C1 ZINC000644813942 385546782 /nfs/dbraw/zinc/54/67/82/385546782.db2.gz HGBZHIYEIZFEOI-WCBMZHEXSA-N 0 3 220.276 0.186 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@H](COC)C1CC1 ZINC000183451706 385546852 /nfs/dbraw/zinc/54/68/52/385546852.db2.gz RHIDRIGIYHNIAT-GXSJLCMTSA-N 0 3 228.336 0.916 20 0 BCADHN COCc1nsc(N2C[C@@H](C)NC[C@@H]2C)n1 ZINC000643023056 385519285 /nfs/dbraw/zinc/51/92/85/385519285.db2.gz JNFOUPWSDCUXHL-SFYZADRCSA-N 0 3 242.348 0.871 20 0 BCADHN CC(=O)N[C@H](C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000644139120 385520100 /nfs/dbraw/zinc/52/01/00/385520100.db2.gz GLQYZVOIWJLEFD-MRVPVSSYSA-N 0 3 247.298 0.753 20 0 BCADHN CC[C@H](O)CC(=O)N(C)CCN1CCCC1 ZINC000448904782 385520887 /nfs/dbraw/zinc/52/08/87/385520887.db2.gz UNXZPOMURSYMQT-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN CC(C)CO[C@@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644141178 385522119 /nfs/dbraw/zinc/52/21/19/385522119.db2.gz QPJKYCBPKVOUBJ-DCAQKATOSA-N 0 3 246.326 0.864 20 0 BCADHN Cc1n[nH]cc1C(=O)NC[C@H]1CCCN1C ZINC000171856294 385523674 /nfs/dbraw/zinc/52/36/74/385523674.db2.gz RFTJYPJEBSHPRV-SECBINFHSA-N 0 3 222.292 0.542 20 0 BCADHN C[C@@H](OCC1CC1)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644141902 385524025 /nfs/dbraw/zinc/52/40/25/385524025.db2.gz KXWIZKKERBMAFB-MIMYLULJSA-N 0 3 244.310 0.618 20 0 BCADHN COCCC1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC1 ZINC000644142306 385526501 /nfs/dbraw/zinc/52/65/01/385526501.db2.gz MQBQTCNSHLHMPR-UWVGGRQHSA-N 0 3 244.310 0.619 20 0 BCADHN C[C@@H](CC(=O)N(C)C)N[C@H](CO)CC(F)F ZINC000309315887 385527847 /nfs/dbraw/zinc/52/78/47/385527847.db2.gz CZNOIKAYQSPKDZ-YUMQZZPRSA-N 0 3 238.278 0.459 20 0 BCADHN CCN(CCCS(C)(=O)=O)C[C@@H]1CCOC1 ZINC000590818451 385527852 /nfs/dbraw/zinc/52/78/52/385527852.db2.gz QTARUTJXNIBLLF-NSHDSACASA-N 0 3 249.376 0.780 20 0 BCADHN CN(CC(=O)N(C)C)C[C@H]1CCCOC1 ZINC000107695137 385575890 /nfs/dbraw/zinc/57/58/90/385575890.db2.gz OALXAMWJQUAAPY-SNVBAGLBSA-N 0 3 214.309 0.433 20 0 BCADHN C[C@@H]1[C@@H](N[C@@H]2CCN(C)C2=O)CCCN1C ZINC000309366295 385550844 /nfs/dbraw/zinc/55/08/44/385550844.db2.gz BFUUBSOOYGMFJB-OUAUKWLOSA-N 0 3 225.336 0.289 20 0 BCADHN CC[C@@H](C)NC(=O)CN(CCO)[C@H](C)CC ZINC000309359899 385552961 /nfs/dbraw/zinc/55/29/61/385552961.db2.gz ZDHNYYQGGDPAAC-GHMZBOCLSA-N 0 3 230.352 0.994 20 0 BCADHN CCN1CCC[C@H](CNS(=O)(=O)N(C)C)C1 ZINC000408158376 385576452 /nfs/dbraw/zinc/57/64/52/385576452.db2.gz BQVODLJROXPCIY-SNVBAGLBSA-N 0 3 249.380 0.114 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C1(O)CCCC1 ZINC000408122118 385555059 /nfs/dbraw/zinc/55/50/59/385555059.db2.gz ULBXISWVFGMWTC-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)CN(C)C(C)C ZINC000180993928 385559384 /nfs/dbraw/zinc/55/93/84/385559384.db2.gz GMHWGGRJQJYQRR-SNVBAGLBSA-N 0 3 216.325 0.460 20 0 BCADHN CCCCN(CC)CCNS(C)(=O)=O ZINC000107298560 385561162 /nfs/dbraw/zinc/56/11/62/385561162.db2.gz QEBHFAKHMOGKCK-UHFFFAOYSA-N 0 3 222.354 0.658 20 0 BCADHN C[C@@H](CCCO)NC(=O)C(N)C(F)(F)F ZINC000309392964 385562578 /nfs/dbraw/zinc/56/25/78/385562578.db2.gz GDSRSLPEDPGCFQ-WDSKDSINSA-N 0 3 228.214 0.153 20 0 BCADHN CN1C[C@H]2CCN(C(=O)CC3CC3)[C@@H]2C1 ZINC000644815108 385563056 /nfs/dbraw/zinc/56/30/56/385563056.db2.gz OODOCHHFGCSNNF-GHMZBOCLSA-N 0 3 208.305 0.949 20 0 BCADHN CCOC1(C)CN(C(=O)/C=C\CN(C)C)C1 ZINC000493321838 385563420 /nfs/dbraw/zinc/56/34/20/385563420.db2.gz MNJYNUYDSDEVFR-SREVYHEPSA-N 0 3 226.320 0.742 20 0 BCADHN CCC[C@H](C)CN1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408152151 385573984 /nfs/dbraw/zinc/57/39/84/385573984.db2.gz WLKKBIMIJIJRQB-UWVGGRQHSA-N 0 3 239.319 0.659 20 0 BCADHN Cc1nccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000644816804 385597349 /nfs/dbraw/zinc/59/73/49/385597349.db2.gz WZFMCKAFQWCKSQ-ZYHUDNBSSA-N 0 3 246.314 0.561 20 0 BCADHN COC(=O)c1cnc(NCCN(C)C)nc1 ZINC000309469394 385598764 /nfs/dbraw/zinc/59/87/64/385598764.db2.gz QGSQGZCHDZGAEA-UHFFFAOYSA-N 0 3 224.264 0.237 20 0 BCADHN CCN1C[C@H](N[C@H](COC)C2CC2)CC1=O ZINC000391512976 385599890 /nfs/dbraw/zinc/59/98/90/385599890.db2.gz OZIRLEAZLNOILG-GHMZBOCLSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)N(C)C ZINC000269527254 385601313 /nfs/dbraw/zinc/60/13/13/385601313.db2.gz ZFQNFEGLODPMQI-ZETCQYMHSA-N 0 3 239.275 0.058 20 0 BCADHN Cc1coc(C)c1C(=O)N[C@@H](CO)CN(C)C ZINC000647710834 385603171 /nfs/dbraw/zinc/60/31/71/385603171.db2.gz RAZDZXVAFXUCRO-SNVBAGLBSA-N 0 3 240.303 0.549 20 0 BCADHN CC(C)[C@@H](O)CNC1(C(N)=O)CCCCC1 ZINC000336676743 385604400 /nfs/dbraw/zinc/60/44/00/385604400.db2.gz PZGOAAFWHDUAHB-JTQLQIEISA-N 0 3 228.336 0.781 20 0 BCADHN CC[C@H]1CCCN(CC(=O)NC(=O)NC)CC1 ZINC000117345324 385578457 /nfs/dbraw/zinc/57/84/57/385578457.db2.gz FFBIUMBRYPRENO-JTQLQIEISA-N 0 3 241.335 0.954 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H](C)c1ccc(=O)[nH]n1 ZINC000309450282 385584086 /nfs/dbraw/zinc/58/40/86/385584086.db2.gz KYBYSMLGARVUFK-DJLDLDEBSA-N 0 3 225.292 0.844 20 0 BCADHN COC[C@H](C)N[C@@H](CCSC)C(=O)N(C)C ZINC000309453738 385591542 /nfs/dbraw/zinc/59/15/42/385591542.db2.gz LUGMIEFQIIBEMV-UWVGGRQHSA-N 0 3 248.392 0.821 20 0 BCADHN CCn1nccc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644820865 385616606 /nfs/dbraw/zinc/61/66/06/385616606.db2.gz YITJMHYRCFXNEC-PWSUYJOCSA-N 0 3 248.330 0.679 20 0 BCADHN CCN(CC)CC(=O)NC[C@](C)(O)C1CC1 ZINC000337383045 385636493 /nfs/dbraw/zinc/63/64/93/385636493.db2.gz BSDXMJVXRIEHFB-LBPRGKRZSA-N 0 3 228.336 0.605 20 0 BCADHN CN(C)CC1(NCc2cnnn2C)CCC1 ZINC000309489391 385618320 /nfs/dbraw/zinc/61/83/20/385618320.db2.gz WPJVTAAVHJWZGV-UHFFFAOYSA-N 0 3 223.324 0.389 20 0 BCADHN Cc1ccc(CCN(CCO)CCO)cc1 ZINC000269653977 385618448 /nfs/dbraw/zinc/61/84/48/385618448.db2.gz ZZYFULRGNGXUGM-UHFFFAOYSA-N 0 3 223.316 0.824 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3ccc[nH]3)[C@@H]2C1 ZINC000644821581 385636433 /nfs/dbraw/zinc/63/64/33/385636433.db2.gz GTCPHSCUPISEGA-GXSJLCMTSA-N 0 3 219.288 0.791 20 0 BCADHN COC(C)(C)CN[C@H](C)c1ccc(=O)[nH]n1 ZINC000309489704 385619502 /nfs/dbraw/zinc/61/95/02/385619502.db2.gz WRNZEMWZOYUHDA-MRVPVSSYSA-N 0 3 225.292 0.846 20 0 BCADHN C[C@]1(C(=O)NCC(F)F)CCCCN1 ZINC000159579256 385636421 /nfs/dbraw/zinc/63/64/21/385636421.db2.gz CJFMAUBUIRAFMH-SECBINFHSA-N 0 3 206.236 0.900 20 0 BCADHN CC[C@H](C)N(CCO)C[C@H]1CN(C)C(=O)O1 ZINC000495593913 385620567 /nfs/dbraw/zinc/62/05/67/385620567.db2.gz LMQIBQLBQABKHD-VHSXEESVSA-N 0 3 230.308 0.530 20 0 BCADHN OCCN1CCN([C@@H]2C=CCCC2)CC1 ZINC000066472147 385621197 /nfs/dbraw/zinc/62/11/97/385621197.db2.gz HAQOZVBGXRTQGA-GFCCVEGCSA-N 0 3 210.321 0.705 20 0 BCADHN Cn1cccc1CN[C@H](CO)[C@H]1CCCO1 ZINC000309499247 385623629 /nfs/dbraw/zinc/62/36/29/385623629.db2.gz LAORUQSDMQZWEQ-VXGBXAGGSA-N 0 3 224.304 0.655 20 0 BCADHN CN(C)CC1(NC(=O)c2cocn2)CCC1 ZINC000281003564 385627583 /nfs/dbraw/zinc/62/75/83/385627583.db2.gz DLILWCWDZOSZSL-UHFFFAOYSA-N 0 3 223.276 0.889 20 0 BCADHN CN(C)CC1(NC(=O)c2cnnn2C)CCC1 ZINC000281007063 385627732 /nfs/dbraw/zinc/62/77/32/385627732.db2.gz DXLMFYODVHWWDZ-UHFFFAOYSA-N 0 3 237.307 0.029 20 0 BCADHN CCOCC(C)(C)NC[C@H]1CN(C)C(=O)O1 ZINC000382029684 385628120 /nfs/dbraw/zinc/62/81/20/385628120.db2.gz TZMWUXFVOZBZAE-VIFPVBQESA-N 0 3 230.308 0.842 20 0 BCADHN CCONC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000365187303 385631104 /nfs/dbraw/zinc/63/11/04/385631104.db2.gz RLXNLSUPSRJBNH-NXEZZACHSA-N 0 3 243.307 0.100 20 0 BCADHN CN(C[C@@H]1CCCO1)C(=O)[C@H](N)CC(F)F ZINC000336676881 385607419 /nfs/dbraw/zinc/60/74/19/385607419.db2.gz VSAZJXSPFJNPRV-JGVFFNPUSA-N 0 3 236.262 0.606 20 0 BCADHN CC[C@H](CN[C@H](C)CS(C)(=O)=O)OC ZINC000336650274 385609591 /nfs/dbraw/zinc/60/95/91/385609591.db2.gz ANQBQKCQBFJJDS-RKDXNWHRSA-N 0 3 223.338 0.434 20 0 BCADHN CN(CCO)C(=O)[C@H]1CCCN1C1CCCC1 ZINC000340061275 385609732 /nfs/dbraw/zinc/60/97/32/385609732.db2.gz HZVNQAGTEORTKZ-GFCCVEGCSA-N 0 3 240.347 0.844 20 0 BCADHN Cn1nccc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000594642854 385611420 /nfs/dbraw/zinc/61/14/20/385611420.db2.gz QVPKWPQZRLRUAX-LLVKDONJSA-N 0 3 248.330 0.634 20 0 BCADHN C[C@@H]1CNCCN1C(=O)[C@H]1CNCCC1(F)F ZINC000647711455 385613247 /nfs/dbraw/zinc/61/32/47/385613247.db2.gz USFGDSBQEXNYRO-RKDXNWHRSA-N 0 3 247.289 0.052 20 0 BCADHN CCN(C)CCNC(=O)Cc1ncccc1F ZINC000280861050 385613258 /nfs/dbraw/zinc/61/32/58/385613258.db2.gz KVRFGZSXRHFZOU-UHFFFAOYSA-N 0 3 239.294 0.831 20 0 BCADHN CC[C@H](OC)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644824714 385664559 /nfs/dbraw/zinc/66/45/59/385664559.db2.gz ZCTPWTPPVQDEMV-DCAQKATOSA-N 0 3 226.320 0.574 20 0 BCADHN C[C@H](NC(=O)NC[C@](C)(O)CN(C)C)C1CC1 ZINC000337386610 385639611 /nfs/dbraw/zinc/63/96/11/385639611.db2.gz IGLWESLZTSJVLS-CABZTGNLSA-N 0 3 243.351 0.397 20 0 BCADHN CN(C)CCN[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000309502952 385640162 /nfs/dbraw/zinc/64/01/62/385640162.db2.gz AGYCAFOWSJQFDJ-MNOVXSKESA-N 0 3 248.392 0.493 20 0 BCADHN COCCC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644821894 385640587 /nfs/dbraw/zinc/64/05/87/385640587.db2.gz MNNSPNIJWHNPGQ-ZJUUUORDSA-N 0 3 212.293 0.185 20 0 BCADHN CN(C)CC1(NC(=O)c2cnccn2)CCC1 ZINC000281190157 385642508 /nfs/dbraw/zinc/64/25/08/385642508.db2.gz ZRFNLWFGKCEHFD-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN Cn1nncc1C(=O)NC1CCN(C2CC2)CC1 ZINC000281206905 385643616 /nfs/dbraw/zinc/64/36/16/385643616.db2.gz KPSRDAVOZVXYKN-UHFFFAOYSA-N 0 3 249.318 0.172 20 0 BCADHN Cn1ccc(CC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000644822380 385643821 /nfs/dbraw/zinc/64/38/21/385643821.db2.gz KDHRIVSAGFGKIE-PWSUYJOCSA-N 0 3 248.330 0.125 20 0 BCADHN Cc1ocnc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644822343 385643919 /nfs/dbraw/zinc/64/39/19/385643919.db2.gz RNQGCQJFLHYEKL-ZJUUUORDSA-N 0 3 235.287 0.759 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C2CCOCC2)C1 ZINC000644822451 385644209 /nfs/dbraw/zinc/64/42/09/385644209.db2.gz SZVZSFWPEIHOMG-RYUDHWBXSA-N 0 3 238.331 0.576 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N(C)C(C)C ZINC000309509998 385644464 /nfs/dbraw/zinc/64/44/64/385644464.db2.gz XAVVDJQQKOHHRV-MRVPVSSYSA-N 0 3 216.281 0.134 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000337402149 385648383 /nfs/dbraw/zinc/64/83/83/385648383.db2.gz LBLMXDIRKGKBHJ-QJPTWQEYSA-N 0 3 240.347 0.558 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)C[C@@H]3CCCO3)[C@@H]2C1 ZINC000644823315 385648588 /nfs/dbraw/zinc/64/85/88/385648588.db2.gz NNIIFYPWUVVCAD-SDDRHHMPSA-N 0 3 238.331 0.718 20 0 BCADHN CC[C@@H](C)[C@@H](C)NC(=O)COC1CNC1 ZINC000309513291 385649072 /nfs/dbraw/zinc/64/90/72/385649072.db2.gz QIJWWPNUSZJHDI-RKDXNWHRSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)COCC(F)(F)F ZINC000336652252 385649913 /nfs/dbraw/zinc/64/99/13/385649913.db2.gz FPVCKMZKNRJNFS-PHDIDXHHSA-N 0 3 228.214 0.417 20 0 BCADHN CC(C)[C@@H](O)CN1CCCC[C@@]1(C)C(N)=O ZINC000366591370 385649916 /nfs/dbraw/zinc/64/99/16/385649916.db2.gz LATDLMCLSSXFOH-JQWIXIFHSA-N 0 3 228.336 0.733 20 0 BCADHN CCN1C[C@H](N[C@@H](C)[C@@H]2CCCO2)CC1=O ZINC000391514813 385650680 /nfs/dbraw/zinc/65/06/80/385650680.db2.gz QADNHRNZJWJDHB-AXFHLTTASA-N 0 3 226.320 0.764 20 0 BCADHN CCN(C)CCNC(=O)c1ccnnc1C ZINC000269981869 385654878 /nfs/dbraw/zinc/65/48/78/385654878.db2.gz PKMAIZIPDZZOOE-UHFFFAOYSA-N 0 3 222.292 0.467 20 0 BCADHN C[C@@H](Cn1cccn1)NCc1c[nH]cn1 ZINC000054764947 385656975 /nfs/dbraw/zinc/65/69/75/385656975.db2.gz ZOVMFRVWTJVVTE-VIFPVBQESA-N 0 3 205.265 0.785 20 0 BCADHN C[C@@H](Cn1cccn1)NCc1cnc[nH]1 ZINC000054764947 385656981 /nfs/dbraw/zinc/65/69/81/385656981.db2.gz ZOVMFRVWTJVVTE-VIFPVBQESA-N 0 3 205.265 0.785 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccnn3C)[C@H]2C1 ZINC000644818370 385657079 /nfs/dbraw/zinc/65/70/79/385657079.db2.gz LUSBWYRSBCADKW-KOLCDFICSA-N 0 3 234.303 0.196 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000337439404 385660541 /nfs/dbraw/zinc/66/05/41/385660541.db2.gz CMAAOEAOHRMYJC-UWVGGRQHSA-N 0 3 214.309 0.167 20 0 BCADHN CCC[C@](C)(O)CNC(=O)CN(CC)CC ZINC000337443567 385663173 /nfs/dbraw/zinc/66/31/73/385663173.db2.gz HJBHKNBSAZNXSA-LBPRGKRZSA-N 0 3 230.352 0.996 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ccc(C)nc1 ZINC000059929679 385672730 /nfs/dbraw/zinc/67/27/30/385672730.db2.gz WGMPDCDWSGDAEK-SNVBAGLBSA-N 0 3 207.277 0.744 20 0 BCADHN CC[C@H](NC(=O)[C@@H](C)N)c1c(C)nn(C)c1C ZINC000119394933 385673108 /nfs/dbraw/zinc/67/31/08/385673108.db2.gz SMYMEAIZLWQGHM-XCBNKYQSSA-N 0 3 238.335 0.951 20 0 BCADHN CN(C)c1ncc(CN[C@]2(C)CCOC2)cn1 ZINC000270142203 385674391 /nfs/dbraw/zinc/67/43/91/385674391.db2.gz RDKAXZXECHYLTH-GFCCVEGCSA-N 0 3 236.319 0.811 20 0 BCADHN C[C@H](CNC(=O)c1cccc(=O)n1C)N(C)C ZINC000270131379 385676142 /nfs/dbraw/zinc/67/61/42/385676142.db2.gz MSKMQEGVHCQENT-SECBINFHSA-N 0 3 237.303 0.065 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)NCC1CCC1 ZINC000337469997 385676298 /nfs/dbraw/zinc/67/62/98/385676298.db2.gz NEPGVVBVEKWRTH-GFCCVEGCSA-N 0 3 243.351 0.398 20 0 BCADHN CCN(CC)CC(=O)N1CC(CCO)C1 ZINC000337471909 385676698 /nfs/dbraw/zinc/67/66/98/385676698.db2.gz RMIXWCGYSHLRKX-UHFFFAOYSA-N 0 3 214.309 0.169 20 0 BCADHN COCCn1cc(CNC2CC(OC)C2)cn1 ZINC000337480029 385678652 /nfs/dbraw/zinc/67/86/52/385678652.db2.gz QFGVLQZJBPBIJP-UHFFFAOYSA-N 0 3 239.319 0.797 20 0 BCADHN C[C@H](C(N)=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000305809641 385680809 /nfs/dbraw/zinc/68/08/09/385680809.db2.gz LJOKBQFTNITQJT-UTLUCORTSA-N 0 3 214.309 0.343 20 0 BCADHN C[C@H](C(N)=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000305809640 385681214 /nfs/dbraw/zinc/68/12/14/385681214.db2.gz LJOKBQFTNITQJT-OPRDCNLKSA-N 0 3 214.309 0.343 20 0 BCADHN Cc1cc(C(=O)NC2(CN(C)C)CCC2)[nH]n1 ZINC000281564895 385681613 /nfs/dbraw/zinc/68/16/13/385681613.db2.gz AHSCZBOUHJUIGG-UHFFFAOYSA-N 0 3 236.319 0.932 20 0 BCADHN Cc1nnc(N2CCC[C@H](N(C)C)C2)o1 ZINC000340025701 385683306 /nfs/dbraw/zinc/68/33/06/385683306.db2.gz SYPHCIMUNMKJGR-VIFPVBQESA-N 0 3 210.281 0.908 20 0 BCADHN CN(C)CC1(NC(=O)c2ccc[n+]([O-])c2)CCC1 ZINC000281589624 385683552 /nfs/dbraw/zinc/68/35/52/385683552.db2.gz CENYUTGQNXEVFU-UHFFFAOYSA-N 0 3 249.314 0.534 20 0 BCADHN C[C@H](O)CNCc1cn(C)nc1C(F)F ZINC000336734872 385684087 /nfs/dbraw/zinc/68/40/87/385684087.db2.gz NQXLWBSISSXIOA-LURJTMIESA-N 0 3 219.235 0.828 20 0 BCADHN CCN(CCOCCO)[C@@H]1CCOC1 ZINC000336685131 385686016 /nfs/dbraw/zinc/68/60/16/385686016.db2.gz KLSOSYRGWTULPO-SNVBAGLBSA-N 0 3 203.282 0.106 20 0 BCADHN CC(=O)[C@](C)(O)CN[C@H](C)c1cnn(C)c1 ZINC000309558702 385691326 /nfs/dbraw/zinc/69/13/26/385691326.db2.gz KJKUBPBOYIANII-LDYMZIIASA-N 0 3 225.292 0.411 20 0 BCADHN CCN(CC[C@H]1CCS(=O)(=O)C1)[C@@H](C)CO ZINC000645233574 385692841 /nfs/dbraw/zinc/69/28/41/385692841.db2.gz SIOYEVPYGPCUHZ-QWRGUYRKSA-N 0 3 249.376 0.514 20 0 BCADHN CN(C)CC1(NC(=O)c2cn(C)cn2)CCC1 ZINC000281727182 385698131 /nfs/dbraw/zinc/69/81/31/385698131.db2.gz NVGVIHPVSVGFMY-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN C[C@@H](CO)[C@H](C)NC(=O)/C=C/CN(C)C ZINC000270336546 385699482 /nfs/dbraw/zinc/69/94/82/385699482.db2.gz TXFGMDKAYNFEFM-QEBMPYFUSA-N 0 3 214.309 0.237 20 0 BCADHN CCN(CC)CC(=O)NCc1ncnn1CC ZINC000337557916 385701940 /nfs/dbraw/zinc/70/19/40/385701940.db2.gz KXCCMMBARBDNPA-UHFFFAOYSA-N 0 3 239.323 0.256 20 0 BCADHN Cn1nccc1CNCCc1cnccn1 ZINC000336688217 385707954 /nfs/dbraw/zinc/70/79/54/385707954.db2.gz UYGRXHRPOIOZKU-UHFFFAOYSA-N 0 3 217.276 0.542 20 0 BCADHN CCSCCN(CCO)C[C@@H](C)O ZINC000308185919 385708702 /nfs/dbraw/zinc/70/87/02/385708702.db2.gz FNNILRGGIYOFKP-SECBINFHSA-N 0 3 207.339 0.415 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](O)C[C@H]1C ZINC000337566411 385710123 /nfs/dbraw/zinc/71/01/23/385710123.db2.gz QTEJIPPABUBBPD-ZJUUUORDSA-N 0 3 214.309 0.310 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H](O)C[C@H]1C ZINC000337566405 385711167 /nfs/dbraw/zinc/71/11/67/385711167.db2.gz QTEJIPPABUBBPD-NXEZZACHSA-N 0 3 214.309 0.310 20 0 BCADHN CN(CCCO)C[C@H](O)COc1ccccc1 ZINC000281891192 385711528 /nfs/dbraw/zinc/71/15/28/385711528.db2.gz PZMZCOWKPMVNFK-LBPRGKRZSA-N 0 3 239.315 0.741 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccc(=O)[nH]c3)[C@H]2C1 ZINC000644819411 385670112 /nfs/dbraw/zinc/67/01/12/385670112.db2.gz RORBOZQCVFGKAJ-MNOVXSKESA-N 0 3 247.298 0.563 20 0 BCADHN C[C@H](O)CN1CC[C@@H](Oc2ccccn2)C1 ZINC000282052889 385728391 /nfs/dbraw/zinc/72/83/91/385728391.db2.gz RSENLCIDWPGBGO-WDEREUQCSA-N 0 3 222.288 0.916 20 0 BCADHN CC[C@@H](O)CNC(=O)NCCN(C)C1CC1 ZINC000645285709 385729224 /nfs/dbraw/zinc/72/92/24/385729224.db2.gz WGEDCBODYXBFBA-SNVBAGLBSA-N 0 3 229.324 0.151 20 0 BCADHN CC(C)[C@H]1C[C@@H](NC2(C(N)=O)CC2)CCO1 ZINC000336692216 385735683 /nfs/dbraw/zinc/73/56/83/385735683.db2.gz XCPSLBIUKCUPLK-VHSXEESVSA-N 0 3 226.320 0.798 20 0 BCADHN CCN1CC[C@@H](NCc2cn3cccnc3n2)C1 ZINC000414552466 385737609 /nfs/dbraw/zinc/73/76/09/385737609.db2.gz QGSGEPXTPJWFKE-LLVKDONJSA-N 0 3 245.330 0.913 20 0 BCADHN COC[C@H](N[C@H](C)C(=O)NCCF)C1CC1 ZINC000309602377 385737752 /nfs/dbraw/zinc/73/77/52/385737752.db2.gz XXFQBKSARMBPFB-SCZZXKLOSA-N 0 3 232.299 0.475 20 0 BCADHN CN(CCn1ccnc1)CC1(CO)CC1 ZINC000186759253 385788213 /nfs/dbraw/zinc/78/82/13/385788213.db2.gz DAJRFEWHQVLUFU-UHFFFAOYSA-N 0 3 209.293 0.587 20 0 BCADHN C[C@H](N[C@@H]1CCCSC1)C(=O)N(C)C ZINC000061573290 385742131 /nfs/dbraw/zinc/74/21/31/385742131.db2.gz BNROFURRCWFXPX-DTWKUNHWSA-N 0 3 216.350 0.948 20 0 BCADHN COC[C@@H](CC(C)C)N[C@H]1CCS(=O)(=O)C1 ZINC000309616662 385744448 /nfs/dbraw/zinc/74/44/48/385744448.db2.gz CZLLFHUGWNYWNM-WDEREUQCSA-N 0 3 249.376 0.824 20 0 BCADHN Cc1cn[nH]c1CNCCNC(=O)C1CC1 ZINC000309612715 385747360 /nfs/dbraw/zinc/74/73/60/385747360.db2.gz AQRTZXDWHTZBJH-UHFFFAOYSA-N 0 3 222.292 0.334 20 0 BCADHN CCN(CCOCCO)Cc1cccn1C ZINC000282259657 385748013 /nfs/dbraw/zinc/74/80/13/385748013.db2.gz BUNXITDIHWLXFT-UHFFFAOYSA-N 0 3 226.320 0.856 20 0 BCADHN COC[C@@](C)(CCO)NCCOC1CCC1 ZINC000309618522 385750396 /nfs/dbraw/zinc/75/03/96/385750396.db2.gz DMDUYJLDQPCBJR-GFCCVEGCSA-N 0 3 231.336 0.933 20 0 BCADHN CSC(C)(C)CNC(=O)[C@]1(F)CCNC1 ZINC000309619763 385751995 /nfs/dbraw/zinc/75/19/95/385751995.db2.gz GRUGLASGQQVTTI-JTQLQIEISA-N 0 3 234.340 0.946 20 0 BCADHN COCC[C@H](CO)NCc1cn(C)nc1C ZINC000282322088 385752078 /nfs/dbraw/zinc/75/20/78/385752078.db2.gz TXIZQCFBMHOONX-LLVKDONJSA-N 0 3 227.308 0.216 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCOC1)N1CCCC1 ZINC000521409293 385753230 /nfs/dbraw/zinc/75/32/30/385753230.db2.gz IXGVEYJYWONDPO-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)C[C@@H]1OCCC[C@H]1NCC(N)=O ZINC000186315655 385754428 /nfs/dbraw/zinc/75/44/28/385754428.db2.gz PIWQAMHNIBHUKR-ZJUUUORDSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)c1ccccc1 ZINC000183360506 385755872 /nfs/dbraw/zinc/75/58/72/385755872.db2.gz BHZJLHJZEXSEDQ-VHSXEESVSA-N 0 3 249.314 0.963 20 0 BCADHN O=C1CCCN1[C@H]1CCN(CCn2cccn2)C1 ZINC000270880269 385755903 /nfs/dbraw/zinc/75/59/03/385755903.db2.gz KDERHLWDSGMQQU-LBPRGKRZSA-N 0 3 248.330 0.580 20 0 BCADHN CC[C@@H](C)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000307683099 385764199 /nfs/dbraw/zinc/76/41/99/385764199.db2.gz GPQMWATXVSFJJQ-HTQZYQBOSA-N 0 3 206.311 0.148 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]CCCC[NH3+])o1 ZINC000309647658 385771176 /nfs/dbraw/zinc/77/11/76/385771176.db2.gz WMHCJQQYELLLTI-UHFFFAOYSA-N 0 3 232.305 0.605 20 0 BCADHN CCN1CC[C@@H](NCc2ncc(C)n2C)C1 ZINC000414558443 385772296 /nfs/dbraw/zinc/77/22/96/385772296.db2.gz YZRUEQWZNFVINA-LLVKDONJSA-N 0 3 222.336 0.912 20 0 BCADHN Cc1n[nH]cc1CN1CCC(CO)CC1 ZINC000271028205 385772448 /nfs/dbraw/zinc/77/24/48/385772448.db2.gz FQODVDJSNJVYMC-UHFFFAOYSA-N 0 3 209.293 0.922 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@]1(C)CCOC1 ZINC000336739925 385778476 /nfs/dbraw/zinc/77/84/76/385778476.db2.gz LUZKFDILHSUQOP-ONGXEEELSA-N 0 3 214.309 0.657 20 0 BCADHN COC[C@H](O)CNCc1ccc2c(c1)ncn2C ZINC000282735055 385782880 /nfs/dbraw/zinc/78/28/80/385782880.db2.gz SWZRDRGCRANSRF-LLVKDONJSA-N 0 3 249.314 0.670 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@H]1CCCOCC1 ZINC000336690166 385720379 /nfs/dbraw/zinc/72/03/79/385720379.db2.gz WHSDTAOHOXGNKK-VHSXEESVSA-N 0 3 246.376 0.752 20 0 BCADHN CC[C@H]1CN(C(=O)/C=C/CN(C)C)C[C@H]1O ZINC000270572519 385720461 /nfs/dbraw/zinc/72/04/61/385720461.db2.gz PJYNNDWIVLCVHW-PFDYWKIBSA-N 0 3 226.320 0.334 20 0 BCADHN COC(=O)[C@H](O)C1CCN([C@@H]2CCOC2)CC1 ZINC000408081436 385785208 /nfs/dbraw/zinc/78/52/08/385785208.db2.gz SKAZBHQFNKBZKB-GHMZBOCLSA-N 0 3 243.303 0.021 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](O)C(C)(C)C1 ZINC000337586826 385720897 /nfs/dbraw/zinc/72/08/97/385720897.db2.gz FSDPCLGGNWKVBP-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)c1nc([C@@H](C)NC(=O)CN(C)C)n[nH]1 ZINC000270599116 385722390 /nfs/dbraw/zinc/72/23/90/385722390.db2.gz CTTQPKGWVKYNDE-MRVPVSSYSA-N 0 3 239.323 0.667 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCCCOCC1CC1 ZINC000645242975 385722533 /nfs/dbraw/zinc/72/25/33/385722533.db2.gz ZSQVUOACHRSOKI-LLVKDONJSA-N 0 3 240.347 0.917 20 0 BCADHN COC(=O)C1=C(C)O[C@H](CN(C)CCCO)C1 ZINC000281999690 385722588 /nfs/dbraw/zinc/72/25/88/385722588.db2.gz XJLOOTMXQSEASO-JTQLQIEISA-N 0 3 243.303 0.537 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](CO)[C@H]1C ZINC000337590323 385723138 /nfs/dbraw/zinc/72/31/38/385723138.db2.gz HGSUCKNJHFUUNU-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN CCN(C)C(=O)CN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000185186592 385727377 /nfs/dbraw/zinc/72/73/77/385727377.db2.gz AMOBEQIOCFLXFH-QWRGUYRKSA-N 0 3 239.363 0.680 20 0 BCADHN CN(C)c1ncc(CN(C)CC(C)(C)O)cn1 ZINC000271175141 385798040 /nfs/dbraw/zinc/79/80/40/385798040.db2.gz JDGSPDTULPACSI-UHFFFAOYSA-N 0 3 238.335 0.745 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@H](CO)C1CCCC1 ZINC000336744093 385800091 /nfs/dbraw/zinc/80/00/91/385800091.db2.gz PUVQBPTYFWTYTD-GXSJLCMTSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@H]1OCC[C@@H]1NC(=O)/C=C/CN(C)C ZINC000271190703 385800856 /nfs/dbraw/zinc/80/08/56/385800856.db2.gz VXNASEYHDLYGEU-CFUOYWMPSA-N 0 3 212.293 0.398 20 0 BCADHN O=C1NCC[C@H]1N[C@@H]1CCc2ccccc2OC1 ZINC000337835289 385804202 /nfs/dbraw/zinc/80/42/02/385804202.db2.gz XKHHHGOOPHZFAP-VXGBXAGGSA-N 0 3 246.310 0.858 20 0 BCADHN Cc1n[nH]c(C)c1CN1CC[C@](C)(O)C1 ZINC000271218791 385805343 /nfs/dbraw/zinc/80/53/43/385805343.db2.gz OADWLOJTYIACBL-NSHDSACASA-N 0 3 209.293 0.983 20 0 BCADHN CC1(CO)CCN([C@H]2CCCCNC2=O)CC1 ZINC000186912382 385815784 /nfs/dbraw/zinc/81/57/84/385815784.db2.gz NRFUURDJMXMRIC-NSHDSACASA-N 0 3 240.347 0.750 20 0 BCADHN COCCOCCN1CCC(C)(CO)CC1 ZINC000186947694 385816352 /nfs/dbraw/zinc/81/63/52/385816352.db2.gz XBVGWBVNIJWNOY-UHFFFAOYSA-N 0 3 231.336 0.744 20 0 BCADHN C[C@H](CNC(=O)C=Cc1c[nH]cn1)N(C)C ZINC000283361227 385817865 /nfs/dbraw/zinc/81/78/65/385817865.db2.gz DDWPWCPGHNMHJU-XNPJLODASA-N 0 3 222.292 0.489 20 0 BCADHN CCC[C@H](N)C(=O)N(C)Cc1cc[nH]n1 ZINC000336725026 385819141 /nfs/dbraw/zinc/81/91/41/385819141.db2.gz BGOKJBRKMWQZER-VIFPVBQESA-N 0 3 210.281 0.496 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cccc(=O)[nH]1 ZINC000283515841 385821076 /nfs/dbraw/zinc/82/10/76/385821076.db2.gz FRJAYQZXBCBPGQ-UHFFFAOYSA-N 0 3 249.314 0.953 20 0 BCADHN CC[C@@H](COC)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000336738040 385826747 /nfs/dbraw/zinc/82/67/47/385826747.db2.gz NZAAMSUXYRYQDF-ZJUUUORDSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)NCCN(C)C)CS1 ZINC000413677358 385858315 /nfs/dbraw/zinc/85/83/15/385858315.db2.gz JENQLNFFCAKNIQ-BDAKNGLRSA-N 0 3 231.365 0.741 20 0 BCADHN CC1CC(NCC2(S(C)(=O)=O)CC2)C1 ZINC000336652141 168145011 /nfs/dbraw/zinc/14/50/11/168145011.db2.gz KIZDGHODWXKLAW-UHFFFAOYSA-N 0 3 217.334 0.952 20 0 BCADHN O=C(N[C@H]1CCCN(CCCO)C1)C1CCC1 ZINC000452377018 385839185 /nfs/dbraw/zinc/83/91/85/385839185.db2.gz QDDYTIKIVLDMMJ-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000644836080 385840044 /nfs/dbraw/zinc/84/00/44/385840044.db2.gz NOYVZFFXVXLGOI-URLYPYJESA-N 0 3 234.299 0.766 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000644836080 385840047 /nfs/dbraw/zinc/84/00/47/385840047.db2.gz NOYVZFFXVXLGOI-URLYPYJESA-N 0 3 234.299 0.766 20 0 BCADHN CC(C)[C@@H]1C(=O)NCCN1CC1CCOCC1 ZINC000112697648 385843285 /nfs/dbraw/zinc/84/32/85/385843285.db2.gz VJOUHPWBSGQHSC-GFCCVEGCSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NCCc1ncc[nH]1 ZINC000638111092 385843608 /nfs/dbraw/zinc/84/36/08/385843608.db2.gz BWEMLEWGASIOCL-SNVBAGLBSA-N 0 3 238.335 0.832 20 0 BCADHN CO[C@H]1C[C@H](NCC(=O)N2CCC2)C1(C)C ZINC000451512716 385844325 /nfs/dbraw/zinc/84/43/25/385844325.db2.gz XUWRZUGGSWPTMA-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN CS[C@@H]1CN(c2cnccn2)C[C@H]1N(C)C ZINC000271653361 385844424 /nfs/dbraw/zinc/84/44/24/385844424.db2.gz SOYQPTWKFBBYRX-NXEZZACHSA-N 0 3 238.360 0.958 20 0 BCADHN C[C@@H](NCc1ccnn1C)C(C)(C)n1cncn1 ZINC000340464345 385844677 /nfs/dbraw/zinc/84/46/77/385844677.db2.gz ODPAESWHFDCKGF-SNVBAGLBSA-N 0 3 248.334 0.925 20 0 BCADHN CC[C@H](C(=O)N1CCO[C@H](C)[C@H]1C)N(C)C ZINC000413640071 385847125 /nfs/dbraw/zinc/84/71/25/385847125.db2.gz PMYLYLQBGIFFKN-GMTAPVOTSA-N 0 3 228.336 0.962 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000307828669 385849589 /nfs/dbraw/zinc/84/95/89/385849589.db2.gz DSKCJCDPMCHEKM-QWRGUYRKSA-N 0 3 228.336 0.855 20 0 BCADHN CC[C@H](C(=O)N(C)[C@H](C)CO)N(C)C ZINC000413637327 385852529 /nfs/dbraw/zinc/85/25/29/385852529.db2.gz HDWYPSWOOYRVTG-RKDXNWHRSA-N 0 3 202.298 0.166 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)Cc1cnn(CC)c1 ZINC000638118396 385853328 /nfs/dbraw/zinc/85/33/28/385853328.db2.gz TWGIDKZTMCCLPC-JTQLQIEISA-N 0 3 238.335 0.859 20 0 BCADHN COC(=O)[C@@H]1CCN(Cc2cnn(C)c2C)C1 ZINC000260107286 385790652 /nfs/dbraw/zinc/79/06/52/385790652.db2.gz QHVKHTZSSBSQBK-SNVBAGLBSA-N 0 3 237.303 0.723 20 0 BCADHN Cc1ccc([O-])c(CN(C)CCOCCO)n1 ZINC000282877310 385791435 /nfs/dbraw/zinc/79/14/35/385791435.db2.gz YISXKIJNICCJBI-UHFFFAOYSA-N 0 3 240.303 0.536 20 0 BCADHN Cc1ccc(O)c(CN(C)CCOCCO)n1 ZINC000282877310 385791441 /nfs/dbraw/zinc/79/14/41/385791441.db2.gz YISXKIJNICCJBI-UHFFFAOYSA-N 0 3 240.303 0.536 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@@H](N)C1CCOCC1 ZINC000337804763 385793989 /nfs/dbraw/zinc/79/39/89/385793989.db2.gz JJBUREORSMPRML-QWRGUYRKSA-N 0 3 244.335 0.018 20 0 BCADHN CCN[C@H](C)C(=O)Nc1c[nH]ccc1=O ZINC000638075086 385795042 /nfs/dbraw/zinc/79/50/42/385795042.db2.gz QPNKBCSLCKJHJB-SSDOTTSWSA-N 0 3 209.249 0.311 20 0 BCADHN CC(C)COC[C@H](O)CN(C)CC1(CO)CC1 ZINC000186805368 385796943 /nfs/dbraw/zinc/79/69/43/385796943.db2.gz NIXYYIGLCREIIX-GFCCVEGCSA-N 0 3 245.363 0.724 20 0 BCADHN CCN(CC(=O)OC)Cc1cn[nH]c1C ZINC000271170727 385797737 /nfs/dbraw/zinc/79/77/37/385797737.db2.gz URLUYDJXJCBXIR-UHFFFAOYSA-N 0 3 211.265 0.713 20 0 BCADHN COC(=O)C1=C(C)O[C@@H](CN(C)[C@H](C)CO)C1 ZINC000284915980 385890076 /nfs/dbraw/zinc/89/00/76/385890076.db2.gz VNPZOUFFAKQULM-PSASIEDQSA-N 0 3 243.303 0.535 20 0 BCADHN Cc1sccc1CN1C[C@@H](O)[C@@H](O)C1 ZINC000294733520 385890655 /nfs/dbraw/zinc/89/06/55/385890655.db2.gz QFWXEUXUJIXHCU-AOOOYVTPSA-N 0 3 213.302 0.594 20 0 BCADHN Cn1cnc(NC(=O)CC2CCN(C)CC2)n1 ZINC000294756857 385891511 /nfs/dbraw/zinc/89/15/11/385891511.db2.gz ZLVJVJGVVSZIGY-UHFFFAOYSA-N 0 3 237.307 0.486 20 0 BCADHN CC(C)COC[C@H](O)CN1CCOC[C@@H](C)C1 ZINC000338250662 385928985 /nfs/dbraw/zinc/92/89/85/385928985.db2.gz HIGCBDXDCITQJK-QWHCGFSZSA-N 0 3 245.363 0.988 20 0 BCADHN CCN1CC[C@@H](NC(=O)NC[C@H](C)CO)C1 ZINC000413825973 385895607 /nfs/dbraw/zinc/89/56/07/385895607.db2.gz ACOATKHASOWFEX-VHSXEESVSA-N 0 3 229.324 0.008 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H](CO)[C@H]1CC)N(C)C ZINC000413857268 385900799 /nfs/dbraw/zinc/90/07/99/385900799.db2.gz LKGVWIBWMUEPBP-IJLUTSLNSA-N 0 3 242.363 0.946 20 0 BCADHN CCN(C[C@H](C)O)C(=O)N[C@@H]1CCN(CC)C1 ZINC000413860641 385902799 /nfs/dbraw/zinc/90/27/99/385902799.db2.gz PAOZGFJQGJCVDY-WDEREUQCSA-N 0 3 243.351 0.493 20 0 BCADHN CCNC(=O)CNC[C@](C)(OC)C1CC1 ZINC000308864404 385903412 /nfs/dbraw/zinc/90/34/12/385903412.db2.gz QHCNVCBWJGHDTL-NSHDSACASA-N 0 3 214.309 0.527 20 0 BCADHN CCC[C@@H](O)CN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000336741742 385907548 /nfs/dbraw/zinc/90/75/48/385907548.db2.gz RJGQYNDFLXDUQR-DTWKUNHWSA-N 0 3 225.292 0.994 20 0 BCADHN CCN(CCO)CCNC(=O)c1ccsn1 ZINC000294890271 385909883 /nfs/dbraw/zinc/90/98/83/385909883.db2.gz CWNCVJPJAILQEO-UHFFFAOYSA-N 0 3 243.332 0.187 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)CCCC2CC2)C1 ZINC000643244243 385909936 /nfs/dbraw/zinc/90/99/36/385909936.db2.gz KBQQFZSSFLMRTR-CYBMUJFWSA-N 0 3 240.347 0.750 20 0 BCADHN CN1CC[C@](O)(CNC(=O)CCCC2CC2)C1 ZINC000643244244 385911541 /nfs/dbraw/zinc/91/15/41/385911541.db2.gz KBQQFZSSFLMRTR-ZDUSSCGKSA-N 0 3 240.347 0.750 20 0 BCADHN CCC1(CC)[C@H](NC(=O)CN)C[C@H]1OC ZINC000122368284 385912640 /nfs/dbraw/zinc/91/26/40/385912640.db2.gz XMTLCRYQGZPPJJ-RKDXNWHRSA-N 0 3 214.309 0.655 20 0 BCADHN CCCN[C@H](C)C(=O)NCC(=O)N1CCCC1 ZINC000645292871 385913532 /nfs/dbraw/zinc/91/35/32/385913532.db2.gz GDMJSHLKJBNTER-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN COC[C@H](CC(C)C)N[C@@H]1COC[C@@H]1O ZINC000308944959 385914868 /nfs/dbraw/zinc/91/48/68/385914868.db2.gz NKPMXSNZGLMWIV-AXFHLTTASA-N 0 3 217.309 0.397 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@H]([C@@H](C)O)C1 ZINC000272573510 385915878 /nfs/dbraw/zinc/91/58/78/385915878.db2.gz WNGJSEOEECJVID-ZJUUUORDSA-N 0 3 209.293 0.921 20 0 BCADHN CN(C)CCN(C)C(=O)[C@](C)(O)C1CC1 ZINC000342064306 385918483 /nfs/dbraw/zinc/91/84/83/385918483.db2.gz OXRGMFOPKQAKAI-LLVKDONJSA-N 0 3 214.309 0.167 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@@H]3F)C[C@@H]21 ZINC000424882781 385922160 /nfs/dbraw/zinc/92/21/60/385922160.db2.gz ZDMFBVOTDIBLJI-FYLLDIAZSA-N 0 3 226.295 0.897 20 0 BCADHN CC[C@@H](C(=O)NCCC(=O)OC(C)C)N(C)C ZINC000338208749 385923589 /nfs/dbraw/zinc/92/35/89/385923589.db2.gz UYYZALDNYACULT-JTQLQIEISA-N 0 3 244.335 0.785 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@@H](CO)C(C)C)C1 ZINC000414005354 385923372 /nfs/dbraw/zinc/92/33/72/385923372.db2.gz NCIWKIICOPCRNZ-QWRGUYRKSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@H](N)C(=O)NC[C@H](C)Oc1ccccc1 ZINC000083351919 385924904 /nfs/dbraw/zinc/92/49/04/385924904.db2.gz NFBYYUXDCPIUDR-UWVGGRQHSA-N 0 3 222.288 0.917 20 0 BCADHN Cc1cc(C(=O)NC[C@@H](C)N(C)C)cc(=O)[nH]1 ZINC000271974687 385864839 /nfs/dbraw/zinc/86/48/39/385864839.db2.gz GHENLZHYPRJRCR-SECBINFHSA-N 0 3 237.303 0.776 20 0 BCADHN CC[C@@H](C(=O)N[C@](C)(CCO)COC)N(C)C ZINC000413705626 385865152 /nfs/dbraw/zinc/86/51/52/385865152.db2.gz ZOXUBRSSXSKNNQ-CMPLNLGQSA-N 0 3 246.351 0.230 20 0 BCADHN CCS(=O)(=O)NCCCN1CC[C@@H](C)C1 ZINC000337981822 385866592 /nfs/dbraw/zinc/86/65/92/385866592.db2.gz SPFXXEMWTKIYBN-SNVBAGLBSA-N 0 3 234.365 0.658 20 0 BCADHN Cc1cnn(C)c1CN[C@@H]1CCC(=O)NC1 ZINC000336719974 385866752 /nfs/dbraw/zinc/86/67/52/385866752.db2.gz YOWAMZBYRPRJCD-SECBINFHSA-N 0 3 222.292 0.097 20 0 BCADHN CC(C)[C@](C)(O)CNCc1cnn(C)c1 ZINC000123280816 385867636 /nfs/dbraw/zinc/86/76/36/385867636.db2.gz AVEGIGHTOWLZFD-LLVKDONJSA-N 0 3 211.309 0.917 20 0 BCADHN C[C@H](CNC(=O)CO)N(C)Cc1ccccc1 ZINC000294569354 385869128 /nfs/dbraw/zinc/86/91/28/385869128.db2.gz JXOLVKPIEFSITD-LLVKDONJSA-N 0 3 236.315 0.615 20 0 BCADHN Cc1ccc([C@H](N)C(=O)N2CCN[C@H](C)C2)cc1 ZINC000262669634 385872842 /nfs/dbraw/zinc/87/28/42/385872842.db2.gz RBFXCTDNZLFRRS-YPMHNXCESA-N 0 3 247.342 0.815 20 0 BCADHN Cc1ccc([C@@H](N)C(=O)N2CCN[C@H](C)C2)cc1 ZINC000262669630 385873206 /nfs/dbraw/zinc/87/32/06/385873206.db2.gz RBFXCTDNZLFRRS-DGCLKSJQSA-N 0 3 247.342 0.815 20 0 BCADHN COc1nccc(CN2CCCN(C)CC2)n1 ZINC000294620515 385875933 /nfs/dbraw/zinc/87/59/33/385875933.db2.gz YGHZYIGGPCQYMR-UHFFFAOYSA-N 0 3 236.319 0.623 20 0 BCADHN Cn1nncc1CNC[C@H]1CCSC1 ZINC000228557243 385877535 /nfs/dbraw/zinc/87/75/35/385877535.db2.gz DZMDQUSZVILVJC-MRVPVSSYSA-N 0 3 212.322 0.658 20 0 BCADHN CO[C@H]1C[C@@H](C(N)=O)N(c2ccnc(C)c2)C1 ZINC000284661342 385879915 /nfs/dbraw/zinc/87/99/15/385879915.db2.gz VYKUWYHUGLKJHZ-QWRGUYRKSA-N 0 3 235.287 0.469 20 0 BCADHN CN(C)C1(CNC(=O)c2cnn(C)n2)CCC1 ZINC000284676234 385880214 /nfs/dbraw/zinc/88/02/14/385880214.db2.gz MRMWIPFRSVHKOK-UHFFFAOYSA-N 0 3 237.307 0.029 20 0 BCADHN C[C@H](NC(=O)c1cnn(C)n1)C1=CCN(C)CC1 ZINC000284691665 385881612 /nfs/dbraw/zinc/88/16/12/385881612.db2.gz NSQCMXMGWZIEHK-VIFPVBQESA-N 0 3 249.318 0.195 20 0 BCADHN Cc1cc(NC(=O)[C@H]2CCCCN2)cn(C)c1=O ZINC000335018661 385977143 /nfs/dbraw/zinc/97/71/43/385977143.db2.gz IPLNOHNCDWGFRT-LLVKDONJSA-N 0 3 249.314 0.774 20 0 BCADHN CC(C)OCCCN1CCN(C[C@@H](C)O)CC1 ZINC000189348785 385985734 /nfs/dbraw/zinc/98/57/34/385985734.db2.gz DDGKBOVSPUMIBO-CYBMUJFWSA-N 0 3 244.379 0.800 20 0 BCADHN C[C@H](N)C(=O)NC(C)(C)c1nccs1 ZINC000083907878 385986590 /nfs/dbraw/zinc/98/65/90/385986590.db2.gz UVERHUXEPINRJF-LURJTMIESA-N 0 3 213.306 0.842 20 0 BCADHN CN(C(=O)CN1CCNC[C@H]1C(F)F)C1CC1 ZINC000647967267 385988563 /nfs/dbraw/zinc/98/85/63/385988563.db2.gz JZFUWTWNJDVUGI-VIFPVBQESA-N 0 3 247.289 0.146 20 0 BCADHN C[C@@H]1[C@H](NCc2cc[nH]n2)CCCN1C ZINC000336748772 385989283 /nfs/dbraw/zinc/98/92/83/385989283.db2.gz DSFJUYJCCCRXGR-MWLCHTKSSA-N 0 3 208.309 0.982 20 0 BCADHN CO[C@H]1CN(CCN2CCCC2=O)CC[C@H]1C ZINC000189319208 385990027 /nfs/dbraw/zinc/99/00/27/385990027.db2.gz XYISIVSIWIEIOJ-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](Cc1cnn(C)c1)NCc1cc[nH]n1 ZINC000336749006 385990202 /nfs/dbraw/zinc/99/02/02/385990202.db2.gz TVHBZLCAXUKSMU-VIFPVBQESA-N 0 3 219.292 0.864 20 0 BCADHN C[C@H](N)C(=O)N(C)C1Cc2ccccc2C1 ZINC000262447218 385990885 /nfs/dbraw/zinc/99/08/85/385990885.db2.gz PRKHHMAHSQWDJY-VIFPVBQESA-N 0 3 218.300 0.959 20 0 BCADHN CC[C@H](N)C(=O)N1CCNCc2ccccc21 ZINC000295207555 385991104 /nfs/dbraw/zinc/99/11/04/385991104.db2.gz PSKIAZWFYVHWCB-NSHDSACASA-N 0 3 233.315 0.860 20 0 BCADHN CN(C)C(=O)CN1CCC[C@@]2(CCOC2)C1 ZINC000335039462 385930691 /nfs/dbraw/zinc/93/06/91/385930691.db2.gz FKYPHBTUILOSRF-GFCCVEGCSA-N 0 3 226.320 0.577 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)N(C)c2ccn(C)n2)C1 ZINC000335039830 385930765 /nfs/dbraw/zinc/93/07/65/385930765.db2.gz UNFASXWMZCIJBU-UWVGGRQHSA-N 0 3 236.319 0.771 20 0 BCADHN C[C@@H]1CCCCN(C(=O)C(=O)N(C)CCN)C1 ZINC000335039143 385931620 /nfs/dbraw/zinc/93/16/20/385931620.db2.gz BLRNDDXQWUGVOH-SNVBAGLBSA-N 0 3 241.335 0.052 20 0 BCADHN c1ncn(C[C@@H]2CCCN2Cc2cnc[nH]2)n1 ZINC000369388007 385992905 /nfs/dbraw/zinc/99/29/05/385992905.db2.gz DZAYLTJUXOMZBH-NSHDSACASA-N 0 3 232.291 0.666 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCN2CCC1CC2 ZINC000335040759 385933942 /nfs/dbraw/zinc/93/39/42/385933942.db2.gz ZRMGKMFMFZACOT-JQWIXIFHSA-N 0 3 239.363 0.666 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@H](CO)[C@H]1C ZINC000414021952 385938251 /nfs/dbraw/zinc/93/82/51/385938251.db2.gz BJJFMVKHEJTYET-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@H](CO)[C@H]1C ZINC000414021957 385939399 /nfs/dbraw/zinc/93/93/99/385939399.db2.gz BJJFMVKHEJTYET-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN CN(C)C1(CN(C)S(=O)(=O)N(C)C)CCC1 ZINC000189137336 385939873 /nfs/dbraw/zinc/93/98/73/385939873.db2.gz MPJDTPJJFCUZBF-UHFFFAOYSA-N 0 3 249.380 0.209 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N1CCC[C@H]1C ZINC000072875484 385940718 /nfs/dbraw/zinc/94/07/18/385940718.db2.gz HFVWZDUSYYZMSE-BDAKNGLRSA-N 0 3 228.292 0.148 20 0 BCADHN C[C@@H](CO)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000408395777 385942691 /nfs/dbraw/zinc/94/26/91/385942691.db2.gz WLZRGTFBKMJEJA-LPEHRKFASA-N 0 3 214.309 0.356 20 0 BCADHN CN(C)C1CN(C(=O)c2ccc3cncn3c2)C1 ZINC000285602213 385946269 /nfs/dbraw/zinc/94/62/69/385946269.db2.gz LRNQBQADIKWJNT-UHFFFAOYSA-N 0 3 244.298 0.720 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000037043029 385946479 /nfs/dbraw/zinc/94/64/79/385946479.db2.gz KYXBBRRQRMUIIC-MRVPVSSYSA-N 0 3 249.270 0.929 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H](CO)[C@@H]1C)N(C)C ZINC000414076325 385947489 /nfs/dbraw/zinc/94/74/89/385947489.db2.gz PVAKZVPTHTUBMV-SDDRHHMPSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H](N)C(=O)N1CCOc2cccc(F)c2C1 ZINC000335054996 385953660 /nfs/dbraw/zinc/95/36/60/385953660.db2.gz SUTDGICHPKKBNO-MRVPVSSYSA-N 0 3 238.262 0.894 20 0 BCADHN COC1(CNC(=O)/C=C/CN(C)C)CCC1 ZINC000272968616 385957396 /nfs/dbraw/zinc/95/73/96/385957396.db2.gz KNDGCUAYUXIFTD-GQCTYLIASA-N 0 3 226.320 0.790 20 0 BCADHN CSCC[C@@H](N)C(=O)NCc1cccnc1 ZINC000083367313 385958766 /nfs/dbraw/zinc/95/87/66/385958766.db2.gz IIVQHPLTELHGSZ-SNVBAGLBSA-N 0 3 239.344 0.778 20 0 BCADHN Cn1nccc1CCN1CCN(C)CC1(C)C ZINC000335057179 385959007 /nfs/dbraw/zinc/95/90/07/385959007.db2.gz MPBVADKKWCOERK-UHFFFAOYSA-N 0 3 236.363 0.989 20 0 BCADHN CCOC[C@H]1CCCN([C@@H](CC)C(N)=O)C1 ZINC000072976115 385963272 /nfs/dbraw/zinc/96/32/72/385963272.db2.gz RVOXICIPRLUIAL-QWRGUYRKSA-N 0 3 228.336 0.999 20 0 BCADHN CC[C@H](C)NC(=O)CN1CCCN(C)CC1 ZINC000342331483 385967604 /nfs/dbraw/zinc/96/76/04/385967604.db2.gz COJUAFSSUIYDQQ-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN C[C@H](O)CN1CC[C@H](N2CCCC2=O)C1 ZINC000335015529 385970850 /nfs/dbraw/zinc/97/08/50/385970850.db2.gz YBMNVIMJECCZSN-UWVGGRQHSA-N 0 3 212.293 0.064 20 0 BCADHN CCC[C@@H]1CN(C(=O)C2(N)CCC2)CCO1 ZINC000335015264 385971786 /nfs/dbraw/zinc/97/17/86/385971786.db2.gz NYVDSFRMZWIUMV-SNVBAGLBSA-N 0 3 226.320 0.895 20 0 BCADHN CC(C(=O)N1CCC=C(F)C1)S(C)(=O)=O ZINC000273125245 385972272 /nfs/dbraw/zinc/97/22/72/385972272.db2.gz UCJAZBOEOYUKGB-SSDOTTSWSA-N 0 3 235.280 0.505 20 0 BCADHN O=C1CCN(CNCCCn2ccnc2)CC1 ZINC000273156412 385974967 /nfs/dbraw/zinc/97/49/67/385974967.db2.gz ZWXFTBOEPZOQAT-UHFFFAOYSA-N 0 3 236.319 0.485 20 0 BCADHN CC(C(=O)N1CC(C2CC2)C1)S(C)(=O)=O ZINC000643288325 386055616 /nfs/dbraw/zinc/05/56/16/386055616.db2.gz JWMWADDXFIQDRY-ZETCQYMHSA-N 0 3 231.317 0.288 20 0 BCADHN COC[C@@H](C)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000366887303 385997969 /nfs/dbraw/zinc/99/79/69/385997969.db2.gz SLARGZOVLJEXOJ-BBBLOLIVSA-N 0 3 228.292 0.452 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1cn(C)nn1 ZINC000345117362 385999087 /nfs/dbraw/zinc/99/90/87/385999087.db2.gz UAAHZRGFEMGACB-VIFPVBQESA-N 0 3 237.307 0.029 20 0 BCADHN CC[C@@H](C(=O)NCCC(=O)NC)N(CC)CC ZINC000345115244 385999245 /nfs/dbraw/zinc/99/92/45/385999245.db2.gz SWTHSFVOCVGVRG-JTQLQIEISA-N 0 3 243.351 0.359 20 0 BCADHN CCC[C@@](C)(O)CN[C@H](C)c1ccc(=O)[nH]n1 ZINC000286144022 385999921 /nfs/dbraw/zinc/99/99/21/385999921.db2.gz PAZIONAONCGPFK-BXKDBHETSA-N 0 3 239.319 0.972 20 0 BCADHN C[C@H](N[C@@H](C)[C@H]1CCCOC1)c1nnnn1C ZINC000345109645 386000273 /nfs/dbraw/zinc/00/02/73/386000273.db2.gz HZOYCNNMDAAPKE-GUBZILKMSA-N 0 3 239.323 0.676 20 0 BCADHN Cn1cc(CN2CCC[C@@](C)(O)C2)cn1 ZINC000124231820 386001909 /nfs/dbraw/zinc/00/19/09/386001909.db2.gz NREKRDNJCWNOOI-LLVKDONJSA-N 0 3 209.293 0.767 20 0 BCADHN CCN(CCNC(=O)Cn1cccn1)C1CC1 ZINC000338437329 386002196 /nfs/dbraw/zinc/00/21/96/386002196.db2.gz IJJJBMPBIIDBOM-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN CC(C)[C@@H](CO)CNCc1cnn(C)c1 ZINC000336771971 386055962 /nfs/dbraw/zinc/05/59/62/386055962.db2.gz XTWRBJWDGBIRLJ-LLVKDONJSA-N 0 3 211.309 0.774 20 0 BCADHN C[C@](CO)(NCCO)c1cccc(O)c1 ZINC000336769870 386008265 /nfs/dbraw/zinc/00/82/65/386008265.db2.gz WBTYDXYWPVHXFL-LLVKDONJSA-N 0 3 211.261 0.182 20 0 BCADHN Cn1nccc1CN[C@@H]1CCC(=O)NC1(C)C ZINC000335067400 386009021 /nfs/dbraw/zinc/00/90/21/386009021.db2.gz DAODSKGFPHXKNC-SNVBAGLBSA-N 0 3 236.319 0.567 20 0 BCADHN CC(C)[C@H](N)c1cn(Cc2csnn2)nn1 ZINC000309478425 386012758 /nfs/dbraw/zinc/01/27/58/386012758.db2.gz YVGXDYFWDMMNRV-VIFPVBQESA-N 0 3 238.320 0.834 20 0 BCADHN CCN(CC)CCn1nnc(-c2ccncn2)n1 ZINC000295327883 386014020 /nfs/dbraw/zinc/01/40/20/386014020.db2.gz OTESVOGLGDGOPU-UHFFFAOYSA-N 0 3 247.306 0.472 20 0 BCADHN Cc1nnc([C@H](C)NC(=O)CN(C)C(C)C)[nH]1 ZINC000286255635 386015054 /nfs/dbraw/zinc/01/50/54/386015054.db2.gz FEGNZNHAUORUSH-QMMMGPOBSA-N 0 3 239.323 0.631 20 0 BCADHN C[C@@H](NCCCN1CCOC1=O)c1ncc[nH]1 ZINC000286258625 386015394 /nfs/dbraw/zinc/01/53/94/386015394.db2.gz URPJWCPZEUQMJA-SECBINFHSA-N 0 3 238.291 0.903 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]C2CC[NH2+]CC2)o1 ZINC000334935351 386016107 /nfs/dbraw/zinc/01/61/07/386016107.db2.gz FYZCTGNZNFICKW-UHFFFAOYSA-N 0 3 244.316 0.618 20 0 BCADHN CCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000335071857 386020811 /nfs/dbraw/zinc/02/08/11/386020811.db2.gz FBYPPQOXYRLGFD-ZJUUUORDSA-N 0 3 211.309 0.742 20 0 BCADHN COCC[C@@](C)(O)CNCc1snnc1C ZINC000309725618 386022957 /nfs/dbraw/zinc/02/29/57/386022957.db2.gz CZLCBJIICTUPSE-SNVBAGLBSA-N 0 3 245.348 0.724 20 0 BCADHN C[C@@H](CC(=O)N(C)C)NC[C@@H](O)C(F)F ZINC000336771009 386023160 /nfs/dbraw/zinc/02/31/60/386023160.db2.gz XGGOYIXWLLWJFE-NKWVEPMBSA-N 0 3 224.251 0.069 20 0 BCADHN C[C@@H](CNc1nccc(CO)n1)N(C)C ZINC000336753374 386024063 /nfs/dbraw/zinc/02/40/63/386024063.db2.gz HPWSUELLCVQTGF-QMMMGPOBSA-N 0 3 210.281 0.331 20 0 BCADHN CCOCCN1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000189549179 386024586 /nfs/dbraw/zinc/02/45/86/386024586.db2.gz RMMQKQCELQDGFG-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@H]1CCO[C@H]1C ZINC000414185674 386026039 /nfs/dbraw/zinc/02/60/39/386026039.db2.gz OPXSBIZRXWZXSF-AATLWQCWSA-N 0 3 201.266 0.167 20 0 BCADHN COCCNC(=O)C1(N[C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000414187048 386028421 /nfs/dbraw/zinc/02/84/21/386028421.db2.gz PXNOHCHDVQWXAT-GMTAPVOTSA-N 0 3 240.347 0.916 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1CCCOC1 ZINC000335062022 386030533 /nfs/dbraw/zinc/03/05/33/386030533.db2.gz IIXBSVLQHUZAJB-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)(N)C(=O)Nc1n[nH]cc1Br ZINC000307170166 386032679 /nfs/dbraw/zinc/03/26/79/386032679.db2.gz KEHFKZFLGXZPKB-UHFFFAOYSA-N 0 3 247.096 0.848 20 0 BCADHN CCN(CC)CC(=O)NCC(C)(C)OCCO ZINC000354197698 386032817 /nfs/dbraw/zinc/03/28/17/386032817.db2.gz YXGVJSFUCKEBSB-UHFFFAOYSA-N 0 3 246.351 0.232 20 0 BCADHN C[C@H](O)CCN1CCN(C[C@H](C)O)C[C@H]1C ZINC000425430697 386033083 /nfs/dbraw/zinc/03/30/83/386033083.db2.gz FZAOQHIHBGZRDM-WOPDTQHZSA-N 0 3 230.352 0.144 20 0 BCADHN C[C@H](O)CCN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000425430695 386033506 /nfs/dbraw/zinc/03/35/06/386033506.db2.gz FZAOQHIHBGZRDM-SRVKXCTJSA-N 0 3 230.352 0.144 20 0 BCADHN CN(C)C(=O)CN1CCC[C@H]1[C@H]1CCCO1 ZINC000334431405 386034045 /nfs/dbraw/zinc/03/40/45/386034045.db2.gz KPHDHXAMQNZLNB-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN CN(C)CCNC(=O)Nc1ccncc1 ZINC000074753500 386037128 /nfs/dbraw/zinc/03/71/28/386037128.db2.gz FRRYRXMEYUIUBK-UHFFFAOYSA-N 0 3 208.265 0.765 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H](CO)Cc1ccccc1 ZINC000340229261 386037046 /nfs/dbraw/zinc/03/70/46/386037046.db2.gz CURCGDLJQGQIOI-JQWIXIFHSA-N 0 3 236.315 0.301 20 0 BCADHN CO[C@H](CN1CCSC[C@H]1CO)C1CC1 ZINC000425423120 386042105 /nfs/dbraw/zinc/04/21/05/386042105.db2.gz QBTDVRPFDROXQX-GHMZBOCLSA-N 0 3 231.361 0.821 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CCC[C@@H]1CCO ZINC000303740618 386044307 /nfs/dbraw/zinc/04/43/07/386044307.db2.gz DHRRIKAFCMKEJE-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)c1nnc(C)[nH]1 ZINC000286473521 386044580 /nfs/dbraw/zinc/04/45/80/386044580.db2.gz ULKBOFFNQSLDAQ-QMMMGPOBSA-N 0 3 239.323 0.632 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCc1cccnc1 ZINC000286498947 386045899 /nfs/dbraw/zinc/04/58/99/386045899.db2.gz MTAOEZQLRGUPAT-JTQLQIEISA-N 0 3 236.319 0.831 20 0 BCADHN O=C(Cc1cncs1)NCCN1CCCC1 ZINC000189635338 386047660 /nfs/dbraw/zinc/04/76/60/386047660.db2.gz GIGKKXQTUPNORD-UHFFFAOYSA-N 0 3 239.344 0.898 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H](O)CC1)N(C)C ZINC000334439225 386048183 /nfs/dbraw/zinc/04/81/83/386048183.db2.gz UOAJNBIPCPIWCL-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000365341910 386049430 /nfs/dbraw/zinc/04/94/30/386049430.db2.gz HQMKWKFEFNGZQF-YIBTVLSRSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@H](CNS(C)(=O)=O)N1CCC[C@@H](C)C1 ZINC000334440265 386050078 /nfs/dbraw/zinc/05/00/78/386050078.db2.gz WKQAPFXGECOEBO-NXEZZACHSA-N 0 3 234.365 0.656 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000365341905 386050004 /nfs/dbraw/zinc/05/00/04/386050004.db2.gz HQMKWKFEFNGZQF-WSMDXJOWSA-N 0 3 240.347 0.556 20 0 BCADHN CO[C@H](CN1CCN(CCO)[C@@H](C)C1)C1CC1 ZINC000425433532 386052005 /nfs/dbraw/zinc/05/20/05/386052005.db2.gz NLBRLOVYENFYON-WCQYABFASA-N 0 3 242.363 0.410 20 0 BCADHN COC(=O)C[C@@]1(NCC[C@H](C)O)CCOC1 ZINC000425435485 386052395 /nfs/dbraw/zinc/05/23/95/386052395.db2.gz SRJFONFOAJGJDB-ONGXEEELSA-N 0 3 231.292 0.069 20 0 BCADHN CN(CCN(C)C1CC1)c1ccc(C(N)=O)cn1 ZINC000274449085 386105777 /nfs/dbraw/zinc/10/57/77/386105777.db2.gz IHZKMKVBGAYLEH-UHFFFAOYSA-N 0 3 248.330 0.711 20 0 BCADHN C[C@@H](O)[C@H]1CCN(Cc2cccc(C(N)=O)c2)C1 ZINC000162749977 386106205 /nfs/dbraw/zinc/10/62/05/386106205.db2.gz PDFUQURGXOWONM-MFKMUULPSA-N 0 3 248.326 0.988 20 0 BCADHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1nc[nH]n1 ZINC000287284763 386107663 /nfs/dbraw/zinc/10/76/63/386107663.db2.gz SXNHGXKANXYCPO-ZJUUUORDSA-N 0 3 249.318 0.504 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1c[nH]nc1C1CC1 ZINC000287281484 386108038 /nfs/dbraw/zinc/10/80/38/386108038.db2.gz TYCRTRIQVODASD-QMMMGPOBSA-N 0 3 236.319 0.967 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cncs1 ZINC000287276925 386109483 /nfs/dbraw/zinc/10/94/83/386109483.db2.gz SXCRKELGEKWFRK-ZETCQYMHSA-N 0 3 213.306 0.823 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccc(C=O)[nH]1 ZINC000287283973 386109580 /nfs/dbraw/zinc/10/95/80/386109580.db2.gz UCRUUENEOQRIAY-QMMMGPOBSA-N 0 3 223.276 0.507 20 0 BCADHN Cc1cc(CNC[C@@H]2CCCN2C)nn1C ZINC000414308425 386110645 /nfs/dbraw/zinc/11/06/45/386110645.db2.gz QBQYUSGNLKFIMF-LBPRGKRZSA-N 0 3 222.336 0.912 20 0 BCADHN CCN(C)CCNC(=O)[C@H](N)c1ccccc1 ZINC000054132960 386111406 /nfs/dbraw/zinc/11/14/06/386111406.db2.gz IGGPGVLWCAMLJH-GFCCVEGCSA-N 0 3 235.331 0.754 20 0 BCADHN COCCCN(CCO)C[C@@H](O)CSC ZINC000189886058 386113332 /nfs/dbraw/zinc/11/33/32/386113332.db2.gz IEQFKJUEGWQLHU-SNVBAGLBSA-N 0 3 237.365 0.041 20 0 BCADHN COC[C@H](C)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189894339 386115574 /nfs/dbraw/zinc/11/55/74/386115574.db2.gz MVRJFEXZYSEMOH-NEPJUHHUSA-N 0 3 244.379 0.798 20 0 BCADHN COC[C@H](CCO)N[C@@H](C)c1cn(C)nc1C ZINC000223956402 386115711 /nfs/dbraw/zinc/11/57/11/386115711.db2.gz LSIPCDPJSLJVKD-ONGXEEELSA-N 0 3 241.335 0.777 20 0 BCADHN CC(C)CCN(C)CC(=O)N1CCNCC1 ZINC000038031045 386115814 /nfs/dbraw/zinc/11/58/14/386115814.db2.gz FUZJAHDAPDITEM-UHFFFAOYSA-N 0 3 227.352 0.396 20 0 BCADHN CC[C@H](O)CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000336773461 386115932 /nfs/dbraw/zinc/11/59/32/386115932.db2.gz WDXZHIFGQRKIQH-AXFHLTTASA-N 0 3 249.376 0.703 20 0 BCADHN C[C@H](CC(N)=O)NCc1ccc2c[nH]nc2c1 ZINC000345828503 386116634 /nfs/dbraw/zinc/11/66/34/386116634.db2.gz WUYCSXBETAGFEH-MRVPVSSYSA-N 0 3 232.287 0.916 20 0 BCADHN NC(C(=O)NC[C@H]1CCC[C@@H]1O)C(F)(F)F ZINC000353181558 386117010 /nfs/dbraw/zinc/11/70/10/386117010.db2.gz MVJYPLDLEIMXKO-DSYKOEDSSA-N 0 3 240.225 0.153 20 0 BCADHN Cc1ccc(NC(=O)C(=O)N[C@H](C)CN)c(C)c1 ZINC000415603776 386117893 /nfs/dbraw/zinc/11/78/93/386117893.db2.gz UVNFUPOGIXEFMW-SNVBAGLBSA-N 0 3 249.314 0.705 20 0 BCADHN C[C@H](CCO)NC(=O)N[C@@H](C)CN(C)C ZINC000353495931 386059869 /nfs/dbraw/zinc/05/98/69/386059869.db2.gz AXBWLVGOOSXFMK-BDAKNGLRSA-N 0 3 217.313 0.007 20 0 BCADHN CC[C@@H](O)CN1CCCC[C@@H]1COC(=O)NC ZINC000497017575 386064646 /nfs/dbraw/zinc/06/46/46/386064646.db2.gz PALMHWJKJJMISJ-GHMZBOCLSA-N 0 3 244.335 0.968 20 0 BCADHN CO[C@H](CN(CCO)[C@H]1CCO[C@@H]1C)C1CC1 ZINC000425439384 386066497 /nfs/dbraw/zinc/06/64/97/386066497.db2.gz CBSJYYZRBOCCNE-KGYLQXTDSA-N 0 3 243.347 0.883 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000335027307 386067975 /nfs/dbraw/zinc/06/79/75/386067975.db2.gz FTIFUCYXAOQKQL-ZJUUUORDSA-N 0 3 228.336 0.855 20 0 BCADHN CN([C@@H]1CCNC1=O)[C@H]1CCCC[C@@H]1O ZINC000338598792 386070594 /nfs/dbraw/zinc/07/05/94/386070594.db2.gz KBFAQRYUADGVLV-AEJSXWLSSA-N 0 3 212.293 0.110 20 0 BCADHN CC[C@](C)(NC[C@@H](O)CC(F)(F)F)C(N)=O ZINC000189705479 386072068 /nfs/dbraw/zinc/07/20/68/386072068.db2.gz SLCUXXOMIKQVND-XPUUQOCRSA-N 0 3 242.241 0.543 20 0 BCADHN C[C@@H](Cn1cccn1)NC[C@H](O)C(F)F ZINC000336772192 386072598 /nfs/dbraw/zinc/07/25/98/386072598.db2.gz XWJQSPSALLYKNC-YUMQZZPRSA-N 0 3 219.235 0.487 20 0 BCADHN CO[C@H](CN[C@H]1C(=O)NCC[C@H]1C)C1CC1 ZINC000425443829 386075066 /nfs/dbraw/zinc/07/50/66/386075066.db2.gz MQIWJDASOPNPTA-FBIMIBRVSA-N 0 3 226.320 0.526 20 0 BCADHN CO[C@@H](CN1CCC[C@H]2C(=O)NC[C@H]21)C1CC1 ZINC000425444886 386076638 /nfs/dbraw/zinc/07/66/38/386076638.db2.gz OJIKNEINLDFSGM-UTUOFQBUSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@@H](O)CN1CCC(c2cn[nH]c2)CC1 ZINC000365403103 386077979 /nfs/dbraw/zinc/07/79/79/386077979.db2.gz NBRFNWCYKSZFMP-SECBINFHSA-N 0 3 209.293 0.970 20 0 BCADHN COC(=O)c1coc(CNCCCCO)c1 ZINC000234569095 386080487 /nfs/dbraw/zinc/08/04/87/386080487.db2.gz INVIRVQGAPMUGB-UHFFFAOYSA-N 0 3 227.260 0.928 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H](O)c1ccccn1 ZINC000286877024 386080996 /nfs/dbraw/zinc/08/09/96/386080996.db2.gz DWLQTSMWFMFNBU-GXSJLCMTSA-N 0 3 237.303 0.181 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H](C)c1ncon1 ZINC000336728747 386081236 /nfs/dbraw/zinc/08/12/36/386081236.db2.gz CQKVTNHICWWDOK-RQJHMYQMSA-N 0 3 212.253 0.374 20 0 BCADHN Cc1nc[nH]c1CC(=O)N[C@@H](C)CN(C)C ZINC000286878795 386081412 /nfs/dbraw/zinc/08/14/12/386081412.db2.gz FBBMJPGSHHNSRW-QMMMGPOBSA-N 0 3 224.308 0.327 20 0 BCADHN CO[C@@H]1CCN(C(=O)CC2CCN(C)CC2)C1 ZINC000335187537 386122653 /nfs/dbraw/zinc/12/26/53/386122653.db2.gz XRZVSRNQYANLTG-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCO[C@H](C)C1)N(C)C ZINC000345261604 386084646 /nfs/dbraw/zinc/08/46/46/386084646.db2.gz GEZGCPUCHZOEEW-MXWKQRLJSA-N 0 3 228.336 0.868 20 0 BCADHN CC(C)CCNCc1cnc(N)nc1N ZINC000638290110 386122849 /nfs/dbraw/zinc/12/28/49/386122849.db2.gz ZHFZYWOHGUNEJL-UHFFFAOYSA-N 0 3 209.297 0.437 20 0 BCADHN COCCO[C@H]1CCN(CCCCO)C1 ZINC000189740866 386085539 /nfs/dbraw/zinc/08/55/39/386085539.db2.gz IZJGOPPGALJWDJ-NSHDSACASA-N 0 3 217.309 0.496 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cnns1 ZINC000286955177 386086189 /nfs/dbraw/zinc/08/61/89/386086189.db2.gz KUAUDPZEJGMCNC-LURJTMIESA-N 0 3 214.294 0.218 20 0 BCADHN NC(C(=O)NC[C@H]1CCCCO1)C(F)(F)F ZINC000353180208 386086486 /nfs/dbraw/zinc/08/64/86/386086486.db2.gz LKZBJCMCXXLIPN-RNFRBKRXSA-N 0 3 240.225 0.561 20 0 BCADHN Cc1ncc(NC(=O)N[C@@H](C)CN(C)C)cn1 ZINC000287008004 386088824 /nfs/dbraw/zinc/08/88/24/386088824.db2.gz NGVLKYMSFCNFQO-QMMMGPOBSA-N 0 3 237.307 0.857 20 0 BCADHN C[C@H](CO)N(C)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000338660110 386093169 /nfs/dbraw/zinc/09/31/69/386093169.db2.gz LZBRXYGLBIZLDN-MXWKQRLJSA-N 0 3 243.351 0.491 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@@H]1CN(C)C[C@H]1C ZINC000414330507 386123164 /nfs/dbraw/zinc/12/31/64/386123164.db2.gz CAPSQPJFDZQXDM-OUAUKWLOSA-N 0 3 227.352 0.439 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)C ZINC000408331227 386095849 /nfs/dbraw/zinc/09/58/49/386095849.db2.gz WBNOJLGOZJIMIM-UWVGGRQHSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@H](Cn1cccn1)NC[C@@H](O)c1cccnc1 ZINC000274389632 386095840 /nfs/dbraw/zinc/09/58/40/386095840.db2.gz CSSGSBUUAXTEBG-DGCLKSJQSA-N 0 3 246.314 0.990 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCC(=O)OC(C)C ZINC000353498880 386097798 /nfs/dbraw/zinc/09/77/98/386097798.db2.gz CVUCZQBSGHJMNI-GFCCVEGCSA-N 0 3 244.335 0.962 20 0 BCADHN C[C@@H](CNC(=O)N1CCOC[C@H](C)C1)N(C)C ZINC000335145905 386098679 /nfs/dbraw/zinc/09/86/79/386098679.db2.gz ILIIIEPSHCLDES-MNOVXSKESA-N 0 3 243.351 0.614 20 0 BCADHN CNC(=O)[C@@H](NC[C@@H](OC)C1CC1)C(C)C ZINC000425458640 386099968 /nfs/dbraw/zinc/09/99/68/386099968.db2.gz MSOHFJZIURWNNF-MNOVXSKESA-N 0 3 228.336 0.772 20 0 BCADHN CC(C)N(Cc1ccc(O)cc1)C[C@H](O)CO ZINC000643296405 386152770 /nfs/dbraw/zinc/15/27/70/386152770.db2.gz JNGRCSIWTYOLES-ZDUSSCGKSA-N 0 3 239.315 0.956 20 0 BCADHN CN(C)C/C=C/C(=O)NCCC(C)(C)O ZINC000274824404 386155615 /nfs/dbraw/zinc/15/56/15/386155615.db2.gz HVFYUCWSNABOKZ-AATRIKPKSA-N 0 3 214.309 0.381 20 0 BCADHN CSC[C@H](C)NC(=O)N1CCCNCC1 ZINC000335295406 386159788 /nfs/dbraw/zinc/15/97/88/386159788.db2.gz JXKINUDBTLKBEE-VIFPVBQESA-N 0 3 231.365 0.743 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CCCCO1 ZINC000346178526 386161161 /nfs/dbraw/zinc/16/11/61/386161161.db2.gz LJZHJVNCMYPZOE-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H](CCO)NCc1ncc(C)n1C ZINC000336722481 386162376 /nfs/dbraw/zinc/16/23/76/386162376.db2.gz FCMVXYLHSOMGMD-JTQLQIEISA-N 0 3 211.309 0.979 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)COC1CCOCC1 ZINC000346135090 386162589 /nfs/dbraw/zinc/16/25/89/386162589.db2.gz CIJPYGDZMKKFRG-JTQLQIEISA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cccc2ncnn21 ZINC000346134129 386162970 /nfs/dbraw/zinc/16/29/70/386162970.db2.gz BSQFUKSTSLSOMN-VIFPVBQESA-N 0 3 247.302 0.409 20 0 BCADHN CCN(C)CCNC(=O)Cc1ccon1 ZINC000346132222 386163485 /nfs/dbraw/zinc/16/34/85/386163485.db2.gz PZHDFNOVKUKCDC-UHFFFAOYSA-N 0 3 211.265 0.285 20 0 BCADHN C/C=C/C[C@@H](CO)NC(=O)N[C@@H](C)CN(C)C ZINC000288089534 386165410 /nfs/dbraw/zinc/16/54/10/386165410.db2.gz SUMCIPAOYAOBAI-PZIAFJOJSA-N 0 3 243.351 0.563 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)CC2CC2)[C@@H]1CO ZINC000190368250 386165351 /nfs/dbraw/zinc/16/53/51/386165351.db2.gz OWZIOGYQGQWGBJ-CMPLNLGQSA-N 0 3 240.347 0.558 20 0 BCADHN CN1CCC(C(=O)NC[C@@]2(C)CCOC2)CC1 ZINC000346140458 386165449 /nfs/dbraw/zinc/16/54/49/386165449.db2.gz XXYYAYNKBPFJIS-CYBMUJFWSA-N 0 3 240.347 0.871 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1CCCN1C1CC1 ZINC000346139737 386165803 /nfs/dbraw/zinc/16/58/03/386165803.db2.gz OMTCGVZTZUKKIL-ZYHUDNBSSA-N 0 3 239.363 0.680 20 0 BCADHN CCCCCNC(=O)CN1CC[C@@H](C)[C@@H]1CO ZINC000190370934 386166195 /nfs/dbraw/zinc/16/61/95/386166195.db2.gz HBXHLAZIAMFCDX-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](C(=O)NCCn1cccn1)N(C)C ZINC000163464276 386167231 /nfs/dbraw/zinc/16/72/31/386167231.db2.gz LGLMVYRTWGKVIN-JTQLQIEISA-N 0 3 224.308 0.340 20 0 BCADHN C[C@H](NC1CC1)C(=O)Nc1nnc2ccccn21 ZINC000296364772 386167297 /nfs/dbraw/zinc/16/72/97/386167297.db2.gz JPVOFGPTXWRTOW-QMMMGPOBSA-N 0 3 245.286 0.808 20 0 BCADHN COC(=O)C(C)(C)NC(=O)Cc1nc[nH]c1C ZINC000346153142 386167679 /nfs/dbraw/zinc/16/76/79/386167679.db2.gz DVQJQYYXUZKSKW-UHFFFAOYSA-N 0 3 239.275 0.328 20 0 BCADHN CC[C@](C)(OC)C(=O)N[C@@H](C)CN(C)C ZINC000346146683 386167812 /nfs/dbraw/zinc/16/78/12/386167812.db2.gz VRPDBONJKWTYSS-ONGXEEELSA-N 0 3 216.325 0.868 20 0 BCADHN O=C(c1ccc2c(c1)CNC2)N1CCOCC1 ZINC000130984732 386190565 /nfs/dbraw/zinc/19/05/65/386190565.db2.gz OLZKSULECKLISW-UHFFFAOYSA-N 0 3 232.283 0.762 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CC[C@H](O)C(C)(C)C1 ZINC000303799162 386168709 /nfs/dbraw/zinc/16/87/09/386168709.db2.gz ZMZOSRQSSDMHEG-UWVGGRQHSA-N 0 3 228.336 0.556 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CC[C@@H]1CCOC1 ZINC000346165850 386169987 /nfs/dbraw/zinc/16/99/87/386169987.db2.gz RHYLDWLUGIVWFW-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN COC(=O)C[C@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000346157355 386170880 /nfs/dbraw/zinc/17/08/80/386170880.db2.gz KIPDNIHSINLHPB-IUCAKERBSA-N 0 3 230.308 0.252 20 0 BCADHN CNS(=O)(=O)CCNCc1sccc1C ZINC000190312274 386172810 /nfs/dbraw/zinc/17/28/10/386172810.db2.gz XSZOEQMYJIJJRD-UHFFFAOYSA-N 0 3 248.373 0.695 20 0 BCADHN CCN(CCNC(=O)c1cc(C)n[nH]1)C1CC1 ZINC000263776023 386174301 /nfs/dbraw/zinc/17/43/01/386174301.db2.gz ULRGKWLKKSEKJS-UHFFFAOYSA-N 0 3 236.319 0.932 20 0 BCADHN COC[C@H](C)NC[C@@H]1CCCCS1(=O)=O ZINC000336753972 386175523 /nfs/dbraw/zinc/17/55/23/386175523.db2.gz HEEGLKYGZUYECM-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN CC[C@@H](CO)NC(=O)C1CCN(C2CC2)CC1 ZINC000338906225 386176126 /nfs/dbraw/zinc/17/61/26/386176126.db2.gz QYBQTGVRGWMBCH-NSHDSACASA-N 0 3 240.347 0.748 20 0 BCADHN COC[C@@H](O)CN1CCN(C)C[C@@H]1C(C)C ZINC000425484073 386176416 /nfs/dbraw/zinc/17/64/16/386176416.db2.gz RXIGLDLIUWUMGD-NWDGAFQWSA-N 0 3 230.352 0.266 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1cnccn1 ZINC000263916679 386191031 /nfs/dbraw/zinc/19/10/31/386191031.db2.gz PBTNQAZIPAYHGJ-JTQLQIEISA-N 0 3 234.303 0.643 20 0 BCADHN CCN(CCNC(=O)NC[C@H](C)OC)C1CC1 ZINC000190471772 386183798 /nfs/dbraw/zinc/18/37/98/386183798.db2.gz DXMNVSMWAJWIPP-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN CN(CCc1cn[nH]n1)C1(C(N)=O)CCCC1 ZINC000647969446 386187357 /nfs/dbraw/zinc/18/73/57/386187357.db2.gz YUBWAAOXPBZSOD-UHFFFAOYSA-N 0 3 237.307 0.077 20 0 BCADHN CN(CCc1c[nH]nn1)C1(C(N)=O)CCCC1 ZINC000647969446 386187359 /nfs/dbraw/zinc/18/73/59/386187359.db2.gz YUBWAAOXPBZSOD-UHFFFAOYSA-N 0 3 237.307 0.077 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCCOCC1)N(C)C ZINC000345843484 386125331 /nfs/dbraw/zinc/12/53/31/386125331.db2.gz JULZVMVSHKYJAP-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](O)CCN1CCO[C@]2(CCCOC2)C1 ZINC000425463347 386131869 /nfs/dbraw/zinc/13/18/69/386131869.db2.gz XTXUQJRMCYILMP-NWDGAFQWSA-N 0 3 229.320 0.639 20 0 BCADHN CN(C)CCN(C)C(=O)NCC[C@@H]1CCOC1 ZINC000345864536 386133882 /nfs/dbraw/zinc/13/38/82/386133882.db2.gz SQCSMVQZWGRBLR-LLVKDONJSA-N 0 3 243.351 0.616 20 0 BCADHN Cc1cncc(CN2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000287586215 386134122 /nfs/dbraw/zinc/13/41/22/386134122.db2.gz YCPBFTCJTCEVKQ-CHWSQXEVSA-N 0 3 236.315 0.708 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2ccn[nH]2)C1 ZINC000525805794 386135617 /nfs/dbraw/zinc/13/56/17/386135617.db2.gz URBVDIFFALBLTM-VIFPVBQESA-N 0 3 222.292 0.481 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H]1CCCN1C)C(=O)OC ZINC000338766764 386135694 /nfs/dbraw/zinc/13/56/94/386135694.db2.gz PYALMXNFKMIMFK-UWVGGRQHSA-N 0 3 242.319 0.396 20 0 BCADHN Cn1ncnc1N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000647872701 386138173 /nfs/dbraw/zinc/13/81/73/386138173.db2.gz HUOCNQBHIBHCCV-GHMZBOCLSA-N 0 3 235.335 0.736 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)NCCCO)CN1C1CC1 ZINC000130147412 386138481 /nfs/dbraw/zinc/13/84/81/386138481.db2.gz IOSFGRRYASMLEZ-ZJUUUORDSA-N 0 3 241.335 0.293 20 0 BCADHN C[C@H]1CN(c2ccnc(C(N)=O)c2)C[C@H](C)N1C ZINC000338787429 386138909 /nfs/dbraw/zinc/13/89/09/386138909.db2.gz RGUUSHCAAJCFJR-UWVGGRQHSA-N 0 3 248.330 0.709 20 0 BCADHN C[C@@H]1CN(c2ccnc(C(N)=O)c2)C[C@@H](C)N1C ZINC000338787427 386139169 /nfs/dbraw/zinc/13/91/69/386139169.db2.gz RGUUSHCAAJCFJR-NXEZZACHSA-N 0 3 248.330 0.709 20 0 BCADHN COCCn1cc(CNCCC(C)(C)O)cn1 ZINC000274722759 386142491 /nfs/dbraw/zinc/14/24/91/386142491.db2.gz FISRPMTZNJCEKH-UHFFFAOYSA-N 0 3 241.335 0.780 20 0 BCADHN C[C@H](NC(=O)c1ccncn1)C1=CCN(C)CC1 ZINC000275347585 386204396 /nfs/dbraw/zinc/20/43/96/386204396.db2.gz PYPAMGSYUOWSJS-JTQLQIEISA-N 0 3 246.314 0.857 20 0 BCADHN CC(C)(C)[C@@H](O)CN(CC(N)=O)C(C)(C)C ZINC000340285094 386205349 /nfs/dbraw/zinc/20/53/49/386205349.db2.gz GFCARQYATXBASW-VIFPVBQESA-N 0 3 230.352 0.979 20 0 BCADHN CCCNS(=O)(=O)NC[C@@H]1CCCN1CC ZINC000408356360 386205591 /nfs/dbraw/zinc/20/55/91/386205591.db2.gz FDHISYRLIHNPNW-JTQLQIEISA-N 0 3 249.380 0.305 20 0 BCADHN O=C1C[C@H]2CC[C@@H](CN1)N2CCOC1CCC1 ZINC000347058048 386210095 /nfs/dbraw/zinc/21/00/95/386210095.db2.gz QVCVNMRECATSII-MNOVXSKESA-N 0 3 238.331 0.908 20 0 BCADHN CCS(=O)(=O)NCCN1C[C@@H](C)C[C@H]1C ZINC000336649100 386259686 /nfs/dbraw/zinc/25/96/86/386259686.db2.gz QIAQQQINGREFFG-VHSXEESVSA-N 0 3 234.365 0.656 20 0 BCADHN COC[C@@H](C)N[C@H]1CCO[C@@H]1c1nccn1C ZINC000275463055 386212922 /nfs/dbraw/zinc/21/29/22/386212922.db2.gz HHQVSWQDNULXPO-VWYCJHECSA-N 0 3 239.319 0.875 20 0 BCADHN C[C@@H](CNC(=O)c1cocn1)N(C)C1CC1 ZINC000264173838 386213209 /nfs/dbraw/zinc/21/32/09/386213209.db2.gz KDXXXUMZQBBZBH-QMMMGPOBSA-N 0 3 223.276 0.887 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)Nc1ccsc1 ZINC000288540252 386213369 /nfs/dbraw/zinc/21/33/69/386213369.db2.gz FFNQNWXQFNUAIN-MRVPVSSYSA-N 0 3 242.300 0.967 20 0 BCADHN CN(CCOCC(F)F)CC1(CO)CC1 ZINC000347073722 386215835 /nfs/dbraw/zinc/21/58/35/386215835.db2.gz SGQKLWZHOAZWGC-UHFFFAOYSA-N 0 3 223.263 0.972 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)Nc1ccccc1 ZINC000288567912 386217846 /nfs/dbraw/zinc/21/78/46/386217846.db2.gz KJHVTMBAHCSIJA-SNVBAGLBSA-N 0 3 236.271 0.906 20 0 BCADHN CC(C)[C@@H]([NH3+])C(=O)Nc1ncccc1[O-] ZINC000125055440 386218149 /nfs/dbraw/zinc/21/81/49/386218149.db2.gz FTHAKBQYWYTNLG-MRVPVSSYSA-N 0 3 209.249 0.709 20 0 BCADHN CN(CC(=O)N1CCOCC1)CC1(C)CCC1 ZINC000340290404 386219335 /nfs/dbraw/zinc/21/93/35/386219335.db2.gz SUNFQVWJRCBELZ-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCCN1CCCC1=O ZINC000132204752 386226290 /nfs/dbraw/zinc/22/62/90/386226290.db2.gz RXNGXUXQVJYPOW-NSHDSACASA-N 0 3 241.335 0.098 20 0 BCADHN CN(C)CC1(NC(=O)c2cn(C)nn2)CCC1 ZINC000288752353 386231457 /nfs/dbraw/zinc/23/14/57/386231457.db2.gz IESUXDUBZPASDV-UHFFFAOYSA-N 0 3 237.307 0.029 20 0 BCADHN CC(C)C(=O)NCCN(C)CCc1c[nH]nn1 ZINC000647969736 386233078 /nfs/dbraw/zinc/23/30/78/386233078.db2.gz NMPTUMHQKVBLOT-UHFFFAOYSA-N 0 3 239.323 0.051 20 0 BCADHN CCc1n[nH]cc1C(=O)NC1CCN(C)CC1 ZINC000264398220 386233306 /nfs/dbraw/zinc/23/33/06/386233306.db2.gz JISGZAFIXXSZAR-UHFFFAOYSA-N 0 3 236.319 0.796 20 0 BCADHN C[C@]1(O)CCCN(CCc2cn[nH]n2)C1 ZINC000647969720 386233519 /nfs/dbraw/zinc/23/35/19/386233519.db2.gz MNFSPYORJSIUFK-JTQLQIEISA-N 0 3 210.281 0.194 20 0 BCADHN C/C=C/C[C@@H](CO)NCc1cnnn1C ZINC000274573759 386235817 /nfs/dbraw/zinc/23/58/17/386235817.db2.gz JHRLCSPXUDACAA-NWALNABHSA-N 0 3 210.281 0.232 20 0 BCADHN C[C@H](CNC(=O)Nc1ccn(C)n1)N(C)C ZINC000264462321 386238595 /nfs/dbraw/zinc/23/85/95/386238595.db2.gz PHOZXPMONQUAJA-MRVPVSSYSA-N 0 3 225.296 0.492 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000190144066 386239071 /nfs/dbraw/zinc/23/90/71/386239071.db2.gz 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212.293 0.376 20 0 BCADHN COC[C@@H](C)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000365637079 386243778 /nfs/dbraw/zinc/24/37/78/386243778.db2.gz PAUQVWKJUKSNSX-GHMZBOCLSA-N 0 3 241.335 0.511 20 0 BCADHN CC[C@@H]1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000638355298 386246014 /nfs/dbraw/zinc/24/60/14/386246014.db2.gz HXIJHMGUAXTUNZ-CHWFTXMASA-N 0 3 242.319 0.176 20 0 BCADHN CN(CCn1cccn1)[C@@H]1CCCOC1 ZINC000336642545 386246238 /nfs/dbraw/zinc/24/62/38/386246238.db2.gz ADOJXWRDHBKHDU-LLVKDONJSA-N 0 3 209.293 0.994 20 0 BCADHN CN(CCN1CCOCC1)[C@H]1CCOC1 ZINC000336642717 386248511 /nfs/dbraw/zinc/24/85/11/386248511.db2.gz ASPMOKLVHMIEKL-NSHDSACASA-N 0 3 214.309 0.039 20 0 BCADHN C[C@H](O)CCN1CCC[C@H](OCCO)C1 ZINC000336645082 386250390 /nfs/dbraw/zinc/25/03/90/386250390.db2.gz HPFXPGMZFWYYSS-QWRGUYRKSA-N 0 3 217.309 0.231 20 0 BCADHN CCN(C)C(=O)CN(C[C@@H]1CCOC1)C1CC1 ZINC000339101720 386250424 /nfs/dbraw/zinc/25/04/24/386250424.db2.gz NKHFVFYKUWFKEE-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC000336645091 386250648 /nfs/dbraw/zinc/25/06/48/386250648.db2.gz HPXMGWYSJWUPFC-LLVKDONJSA-N 0 3 209.293 0.683 20 0 BCADHN C[C@H]1SCCN(CCOCCO)[C@H]1C ZINC000125399429 386251134 /nfs/dbraw/zinc/25/11/34/386251134.db2.gz FGICWZIZLALLTO-VHSXEESVSA-N 0 3 219.350 0.821 20 0 BCADHN C[C@H](O)CCN1CCC[C@@H](OCCO)C1 ZINC000336645083 386251157 /nfs/dbraw/zinc/25/11/57/386251157.db2.gz HPFXPGMZFWYYSS-WDEREUQCSA-N 0 3 217.309 0.231 20 0 BCADHN CN(C)C1(CN(C)C(=O)c2c[nH]cn2)CCC1 ZINC000275939992 386252560 /nfs/dbraw/zinc/25/25/60/386252560.db2.gz XEZCUELDXXNCCK-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@@H]1CCCO1 ZINC000264613909 386254281 /nfs/dbraw/zinc/25/42/81/386254281.db2.gz IZEBBXHTMKPFKZ-YVGDHZEHSA-N 0 3 212.293 0.399 20 0 BCADHN C[C@@H](NC(=O)CN(C)C)C1=CCN(C)CC1 ZINC000275956677 386255983 /nfs/dbraw/zinc/25/59/83/386255983.db2.gz HQBGZVYEXYARSY-SNVBAGLBSA-N 0 3 225.336 0.315 20 0 BCADHN CN(CCOC1CCC1)[C@@H]1COC[C@@H]1O ZINC000347140491 386258381 /nfs/dbraw/zinc/25/83/81/386258381.db2.gz USAMCRXTCNGDQA-MNOVXSKESA-N 0 3 215.293 0.247 20 0 BCADHN CN(CCOC1CCC1)[C@@H]1COC[C@H]1O ZINC000347140490 386258431 /nfs/dbraw/zinc/25/84/31/386258431.db2.gz USAMCRXTCNGDQA-GHMZBOCLSA-N 0 3 215.293 0.247 20 0 BCADHN Cc1noc([C@@H]2CCN(CCCCO)C2)n1 ZINC000346246361 386191897 /nfs/dbraw/zinc/19/18/97/386191897.db2.gz SHAFRTYBFBBDKK-SNVBAGLBSA-N 0 3 225.292 0.940 20 0 BCADHN C[C@H](NC1CC1)C(=O)Nc1c2c(nn1C)CCC2 ZINC000296655624 386192209 /nfs/dbraw/zinc/19/22/09/386192209.db2.gz DQHKHYSMBXEGBO-QMMMGPOBSA-N 0 3 248.330 0.988 20 0 BCADHN c1[nH]nnc1CN1CC[C@@]2(CCOC2)C1 ZINC000340279447 386192628 /nfs/dbraw/zinc/19/26/28/386192628.db2.gz OSFGQNRQEOKTKE-SNVBAGLBSA-N 0 3 208.265 0.417 20 0 BCADHN CC[C@H](N)C(=O)NCc1cccc(CO)c1 ZINC000225421177 386193806 /nfs/dbraw/zinc/19/38/06/386193806.db2.gz CZLPJVRFUBKCAP-NSHDSACASA-N 0 3 222.288 0.532 20 0 BCADHN CCN(CCCS(=O)(=O)N(C)C)C1CC1 ZINC000336647266 386259004 /nfs/dbraw/zinc/25/90/04/386259004.db2.gz 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0.622 20 0 BCADHN CO[C@@H]1CN(C[C@H]2COCCO2)CC[C@H]1C ZINC000336663292 386282310 /nfs/dbraw/zinc/28/23/10/386282310.db2.gz FVZONGFMDMHENA-GRYCIOLGSA-N 0 3 229.320 0.759 20 0 BCADHN COCC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000347203281 386282890 /nfs/dbraw/zinc/28/28/90/386282890.db2.gz LRVOATIKPLJOHB-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CCCCN(C)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188192677 386283315 /nfs/dbraw/zinc/28/33/15/386283315.db2.gz QTZUETMIHGLVMZ-DTWKUNHWSA-N 0 3 202.273 0.945 20 0 BCADHN Cn1cc([C@H](CO)NCC[C@@H]2CCCO2)cn1 ZINC000276205423 386283398 /nfs/dbraw/zinc/28/33/98/386283398.db2.gz KAQJIMRMOIRUIZ-RYUDHWBXSA-N 0 3 239.319 0.612 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2COCCO2)CC[C@H]1C ZINC000336663293 386285096 /nfs/dbraw/zinc/28/50/96/386285096.db2.gz FVZONGFMDMHENA-IJLUTSLNSA-N 0 3 229.320 0.759 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000339191461 386285673 /nfs/dbraw/zinc/28/56/73/386285673.db2.gz RKPHSZVGRRIYQU-NEPJUHHUSA-N 0 3 242.363 0.946 20 0 BCADHN CO[C@@]1(C)CCCN(C[C@H]2COCCO2)C1 ZINC000336663925 386285838 /nfs/dbraw/zinc/28/58/38/386285838.db2.gz XXJHXFVRSHGFTA-RYUDHWBXSA-N 0 3 229.320 0.903 20 0 BCADHN COC(=O)CCC(C)(C)NC(=O)[C@H](C)N ZINC000336730845 386286058 /nfs/dbraw/zinc/28/60/58/386286058.db2.gz DXMSIKBATUMKHB-ZETCQYMHSA-N 0 3 216.281 0.182 20 0 BCADHN C[C@H](c1nncn1C)N(C)CCN(C)C1CC1 ZINC000347214945 386287867 /nfs/dbraw/zinc/28/78/67/386287867.db2.gz XFAKUWGMJRIOLK-SNVBAGLBSA-N 0 3 237.351 0.902 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)/C=C/CN(C)C ZINC000276238700 386288608 /nfs/dbraw/zinc/28/86/08/386288608.db2.gz SZMJLTLMZDLEJO-CAFLDADYSA-N 0 3 214.309 0.644 20 0 BCADHN CC(C)[C@@H](O)CN(C)CCN1CCOCC1 ZINC000336665455 386290020 /nfs/dbraw/zinc/29/00/20/386290020.db2.gz HQIJQLFTZJJCDE-LBPRGKRZSA-N 0 3 230.352 0.267 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)/C=C/CN(C)C ZINC000276238701 386290447 /nfs/dbraw/zinc/29/04/47/386290447.db2.gz SZMJLTLMZDLEJO-LOSXEJPUSA-N 0 3 214.309 0.644 20 0 BCADHN CN(C[C@@H](O)C(C)(C)C)CC(C)(CO)CO ZINC000336665974 386290862 /nfs/dbraw/zinc/29/08/62/386290862.db2.gz KLWQEEXBPGAHCA-SNVBAGLBSA-N 0 3 233.352 0.316 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@H](CO)C1)N(C)C ZINC000340311428 386291245 /nfs/dbraw/zinc/29/12/45/386291245.db2.gz BMRBFPQJFPOEBN-WDEREUQCSA-N 0 3 228.336 0.413 20 0 BCADHN CN1CCC[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000643334174 386292385 /nfs/dbraw/zinc/29/23/85/386292385.db2.gz LQESGDAHZLIVFV-ZJUUUORDSA-N 0 3 208.305 0.997 20 0 BCADHN CC[C@@H](C(=O)N(CC)CCO)N(CC)CC ZINC000340589046 386292483 /nfs/dbraw/zinc/29/24/83/386292483.db2.gz GINSHZLKVNLRKQ-NSHDSACASA-N 0 3 230.352 0.948 20 0 BCADHN CO[C@@H](C)CN[C@H](Cc1ccccc1)C(N)=O ZINC000276271493 386292798 /nfs/dbraw/zinc/29/27/98/386292798.db2.gz ZKEWLNUQARRVKC-CMPLNLGQSA-N 0 3 236.315 0.708 20 0 BCADHN CC[C@H]1COCCN1C(=O)C[C@H]1CNCCO1 ZINC000091299567 386292741 /nfs/dbraw/zinc/29/27/41/386292741.db2.gz IQLPBCQMZYQWRK-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN CSCCCN(C)CCN1C(=O)CCC1=O ZINC000336666668 386293243 /nfs/dbraw/zinc/29/32/43/386293243.db2.gz LOWCUNJMKNETLS-UHFFFAOYSA-N 0 3 244.360 0.820 20 0 BCADHN CO[C@@H](C)CN[C@@H](Cc1ccccc1)C(N)=O ZINC000276271504 386293718 /nfs/dbraw/zinc/29/37/18/386293718.db2.gz ZKEWLNUQARRVKC-JQWIXIFHSA-N 0 3 236.315 0.708 20 0 BCADHN CNS(=O)(=O)C1CCN(CCC2CC2)CC1 ZINC000336666938 386293872 /nfs/dbraw/zinc/29/38/72/386293872.db2.gz LXRLWORQWZDEPR-UHFFFAOYSA-N 0 3 246.376 0.800 20 0 BCADHN O=C1NC(=O)[C@@H]2CN(C/C=C/Cl)CC[C@@H]12 ZINC000366303659 386296152 /nfs/dbraw/zinc/29/61/52/386296152.db2.gz ADFHLUXJIJZNLJ-JHZMRROCSA-N 0 3 228.679 0.333 20 0 BCADHN CN(C)S(=O)(=O)CCN(C)C1CCCC1 ZINC000336661147 386300016 /nfs/dbraw/zinc/30/00/16/386300016.db2.gz BZRWODUEITUDJU-UHFFFAOYSA-N 0 3 234.365 0.752 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)N(C)CC1CC(O)C1 ZINC000091490666 386300532 /nfs/dbraw/zinc/30/05/32/386300532.db2.gz JENUCNTVGOEIAZ-QYNFOATHSA-N 0 3 242.363 0.992 20 0 BCADHN CCS(=O)(=O)NCCN1CC[C@H](C)C1 ZINC000336672239 386303293 /nfs/dbraw/zinc/30/32/93/386303293.db2.gz LPRGBISXRWLKSE-VIFPVBQESA-N 0 3 220.338 0.268 20 0 BCADHN Cn1cnc(C(=O)NC2CCN(C3CC3)CC2)n1 ZINC000289436637 386304106 /nfs/dbraw/zinc/30/41/06/386304106.db2.gz SRXYHRRSGPVUNH-UHFFFAOYSA-N 0 3 249.318 0.172 20 0 BCADHN Cc1cc(C(=O)NCC2=CCN(C)CC2)cnn1 ZINC000276338304 386305062 /nfs/dbraw/zinc/30/50/62/386305062.db2.gz FVGGLTWPAGSUIG-UHFFFAOYSA-N 0 3 246.314 0.777 20 0 BCADHN CO[C@@H](C)CN1CCC[C@@H](n2ccnn2)C1 ZINC000425519008 386307975 /nfs/dbraw/zinc/30/79/75/386307975.db2.gz WBTQKEPNPCKWGR-WDEREUQCSA-N 0 3 224.308 0.950 20 0 BCADHN CO[C@H](C)CN1CCC[C@@H](n2ccnn2)C1 ZINC000425519004 386308085 /nfs/dbraw/zinc/30/80/85/386308085.db2.gz WBTQKEPNPCKWGR-GHMZBOCLSA-N 0 3 224.308 0.950 20 0 BCADHN CO[C@H](C)C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000340595379 386309331 /nfs/dbraw/zinc/30/93/31/386309331.db2.gz QMRBGDDZIRHQMV-UTLUCORTSA-N 0 3 246.376 0.525 20 0 BCADHN CCOCCN1CCSC[C@H]1CCO ZINC000336674869 386309484 /nfs/dbraw/zinc/30/94/84/386309484.db2.gz 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ZINC000416306320 386267445 /nfs/dbraw/zinc/26/74/45/386267445.db2.gz FNOPHSQBXDBSES-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN CN(C)C1(CNC(=O)c2ccc[n+]([O-])c2)CCC1 ZINC000276058677 386268032 /nfs/dbraw/zinc/26/80/32/386268032.db2.gz VDFZHSPVOHZPQJ-UHFFFAOYSA-N 0 3 249.314 0.534 20 0 BCADHN CN(C)C1(CNC(=O)[C@H]2CCSC2)CC1 ZINC000416307142 386269562 /nfs/dbraw/zinc/26/95/62/386269562.db2.gz JGBHQVAMKUQCCG-VIFPVBQESA-N 0 3 228.361 0.950 20 0 BCADHN CN(C)C1(CNC(=O)[C@]2(C)CCCO2)CC1 ZINC000416309197 386272134 /nfs/dbraw/zinc/27/21/34/386272134.db2.gz USYHEAFULOULDG-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN CN(CCn1cccn1)CC1(O)CCC1 ZINC000336653817 386272925 /nfs/dbraw/zinc/27/29/25/386272925.db2.gz YSYAKISNWBYLEC-UHFFFAOYSA-N 0 3 209.293 0.730 20 0 BCADHN CN(C)C1(CNC(=O)[C@@]2(C)CCCO2)CC1 ZINC000416309196 386273899 /nfs/dbraw/zinc/27/38/99/386273899.db2.gz USYHEAFULOULDG-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN CN(CCN1CCNC1=O)C[C@H]1CCCO1 ZINC000336657615 386274319 /nfs/dbraw/zinc/27/43/19/386274319.db2.gz MGYMODOMTWLFBP-SNVBAGLBSA-N 0 3 227.308 0.122 20 0 BCADHN COC(C)(C)CCN(C)[C@@H]1CCN(C)C1=O ZINC000336661847 386279742 /nfs/dbraw/zinc/27/97/42/386279742.db2.gz ALXBINFRHZPPBF-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)[C@H]1CCCNC1=O ZINC000336661819 386280026 /nfs/dbraw/zinc/28/00/26/386280026.db2.gz CGDRYBSQFXGOEX-DCAQKATOSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@H](Cn1cccn1)NCc1cc(=O)c(O)co1 ZINC000265481028 386342466 /nfs/dbraw/zinc/34/24/66/386342466.db2.gz HLOXIMWETRCQQF-SECBINFHSA-N 0 3 249.270 0.720 20 0 BCADHN COCC(C)(C)NC(=O)NC[C@H]1CCCN1C ZINC000164865606 386343446 /nfs/dbraw/zinc/34/34/46/386343446.db2.gz FYWKTWKENFFCPJ-SNVBAGLBSA-N 0 3 243.351 0.805 20 0 BCADHN CCCCNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336685766 386344235 /nfs/dbraw/zinc/34/42/35/386344235.db2.gz VQWMUMYRPQKYTH-SNVBAGLBSA-N 0 3 229.324 0.002 20 0 BCADHN CCN(CCn1cncn1)[C@H]1CCOC1 ZINC000336686083 386345013 /nfs/dbraw/zinc/34/50/13/386345013.db2.gz 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386358522 /nfs/dbraw/zinc/35/85/22/386358522.db2.gz DQFZQKOFOBQVAS-SECBINFHSA-N 0 3 235.287 0.782 20 0 BCADHN O=C(Nn1cnc2ccccc21)[C@@]1(F)CCNC1 ZINC000366324199 386359679 /nfs/dbraw/zinc/35/96/79/386359679.db2.gz SAPKFFBQBXSIGX-GFCCVEGCSA-N 0 3 248.261 0.808 20 0 BCADHN CCOCCN1C[C@H](OC)[C@@H](OC)C1 ZINC000336691160 386359969 /nfs/dbraw/zinc/35/99/69/386359969.db2.gz PGXWKWXGLQUXOI-UWVGGRQHSA-N 0 3 203.282 0.369 20 0 BCADHN CCOCCN1C[C@@H](OC)[C@H](OC)C1 ZINC000336691159 386360452 /nfs/dbraw/zinc/36/04/52/386360452.db2.gz PGXWKWXGLQUXOI-NXEZZACHSA-N 0 3 203.282 0.369 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1Cc1ncnn1C ZINC000336690819 386360670 /nfs/dbraw/zinc/36/06/70/386360670.db2.gz HXHPFROSSPCBFQ-LLVKDONJSA-N 0 3 237.351 0.587 20 0 BCADHN CO[C@@H](C)CCNC(=O)/C=C/CN(C)C ZINC000265682689 386361183 /nfs/dbraw/zinc/36/11/83/386361183.db2.gz WHCPBQRHONJWCA-PORFMDCZSA-N 0 3 214.309 0.645 20 0 BCADHN CN(C)C/C=C/C(=O)NCC(=O)OC(C)(C)C ZINC000265693540 386361221 /nfs/dbraw/zinc/36/12/21/386361221.db2.gz NZNIMJAQLARBDN-VOTSOKGWSA-N 0 3 242.319 0.562 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)[C@H](C)OC ZINC000347372182 386370131 /nfs/dbraw/zinc/37/01/31/386370131.db2.gz KQQZPHZPIMSDQW-UWVGGRQHSA-N 0 3 216.325 0.868 20 0 BCADHN CCN(CCN1CCCS1(=O)=O)C1CCC1 ZINC000336690289 386371062 /nfs/dbraw/zinc/37/10/62/386371062.db2.gz ARZFMSKUMVYEDU-UHFFFAOYSA-N 0 3 246.376 0.896 20 0 BCADHN COC[C@H](O)CN1CCc2cc[nH]c(=O)c2C1 ZINC000276892404 386387436 /nfs/dbraw/zinc/38/74/36/386387436.db2.gz GJCJNRGZODWIOK-SNVBAGLBSA-N 0 3 238.287 0.153 20 0 BCADHN C[C@H](CNC(=O)CN)Oc1cccc(F)c1 ZINC000237402832 386375192 /nfs/dbraw/zinc/37/51/92/386375192.db2.gz XSWJBMNWXKTPMK-MRVPVSSYSA-N 0 3 226.251 0.668 20 0 BCADHN CN(CCc1cnn(C)c1)[C@H]1CCOC1 ZINC000265825006 386376378 /nfs/dbraw/zinc/37/63/78/386376378.db2.gz JEAGDAKTAAPPPN-NSHDSACASA-N 0 3 209.293 0.683 20 0 BCADHN CO[C@@H]1CN(CCOC(C)C)C[C@@H]1OC ZINC000336696262 386378508 /nfs/dbraw/zinc/37/85/08/386378508.db2.gz 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BCADHN CC[C@H](O)CCNC(=O)C(N)C(F)(F)F ZINC000336732270 386384724 /nfs/dbraw/zinc/38/47/24/386384724.db2.gz FQACUWSILDQSBW-WDSKDSINSA-N 0 3 228.214 0.153 20 0 BCADHN CCN(C[C@H]1CCCO1)C[C@@H]1COCCO1 ZINC000336698557 386384804 /nfs/dbraw/zinc/38/48/04/386384804.db2.gz JISRHSACQGXQSG-VXGBXAGGSA-N 0 3 229.320 0.903 20 0 BCADHN CN(CCC(N)=O)CCN1CCc2ccccc21 ZINC000298336570 386325510 /nfs/dbraw/zinc/32/55/10/386325510.db2.gz RWYJLKGJQKTXES-UHFFFAOYSA-N 0 3 247.342 0.856 20 0 BCADHN NS(=O)(=O)[C@@H]1CCN(CCC2CC2)C1 ZINC000336676101 386325600 /nfs/dbraw/zinc/32/56/00/386325600.db2.gz CCTZTTXJNCKMIS-SECBINFHSA-N 0 3 218.322 0.149 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000236919174 386326279 /nfs/dbraw/zinc/32/62/79/386326279.db2.gz NUMVGMBQSVLWNJ-KCJUWKMLSA-N 0 3 238.335 0.893 20 0 BCADHN CCN(CCN1CCNC1=O)[C@H]1CCOC1 ZINC000336676851 386327110 /nfs/dbraw/zinc/32/71/10/386327110.db2.gz VQPSXWQLONFKFJ-JTQLQIEISA-N 0 3 227.308 0.122 20 0 BCADHN CCC[C@H](N)C(=O)Nc1nnc2ccccn21 ZINC000236944342 386327920 /nfs/dbraw/zinc/32/79/20/386327920.db2.gz YYRFYLBBPPXXHJ-QMMMGPOBSA-N 0 3 233.275 0.795 20 0 BCADHN CCO[C@H]1COCC[C@@H]1NCc1ccnn1C ZINC000353155418 386329228 /nfs/dbraw/zinc/32/92/28/386329228.db2.gz QHXHZBAXIGFLIB-RYUDHWBXSA-N 0 3 239.319 0.704 20 0 BCADHN CN1CC[C@H](CNS(=O)(=O)CC(C)(C)C)C1 ZINC000416495631 386329683 /nfs/dbraw/zinc/32/96/83/386329683.db2.gz MSKBGZQTHYBIJB-SNVBAGLBSA-N 0 3 248.392 0.904 20 0 BCADHN Cc1cn[nH]c1CNCCNC(=O)C(C)(C)C ZINC000289582459 386330087 /nfs/dbraw/zinc/33/00/87/386330087.db2.gz SSIRCYWFWXHMRH-UHFFFAOYSA-N 0 3 238.335 0.970 20 0 BCADHN CC[C@@H](CO)N1CCN(CCC[C@@H](C)O)CC1 ZINC000336684186 386330164 /nfs/dbraw/zinc/33/01/64/386330164.db2.gz FPEHSLHFKYAHRO-OLZOCXBDSA-N 0 3 244.379 0.536 20 0 BCADHN CCN(CCN1CCOCC1)C[C@@H]1CCCO1 ZINC000336683361 386331231 /nfs/dbraw/zinc/33/12/31/386331231.db2.gz DQFQZOPVLJARIY-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN COC[C@H]1CCN1C[C@H](O)COCC(C)C ZINC000339280281 386332349 /nfs/dbraw/zinc/33/23/49/386332349.db2.gz FPNXKSUALDECPR-NEPJUHHUSA-N 0 3 231.336 0.741 20 0 BCADHN CCn1cc(CN[C@H]2CCCNC(=O)C2)cn1 ZINC000638659821 386333418 /nfs/dbraw/zinc/33/34/18/386333418.db2.gz KOEWELMCEWZKQH-NSHDSACASA-N 0 3 236.319 0.661 20 0 BCADHN C[C@@H](CC(N)=O)C(=O)NCCN1CCCCC1 ZINC000339263632 386333626 /nfs/dbraw/zinc/33/36/26/386333626.db2.gz KGXNKEIUZHYLIS-JTQLQIEISA-N 0 3 241.335 0.100 20 0 BCADHN CCN(C)CCNC(=O)c1cnc(C)[nH]1 ZINC000265399560 386334046 /nfs/dbraw/zinc/33/40/46/386334046.db2.gz KFMKKVNNFNZVSL-UHFFFAOYSA-N 0 3 210.281 0.400 20 0 BCADHN COC[C@@H](C)N1CC[C@@H](N2CCCC2=O)C1 ZINC000336680311 386334620 /nfs/dbraw/zinc/33/46/20/386334620.db2.gz DWSZDALPPRUUQE-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN CCN1C[C@H](N[C@@H]2CCO[C@H]2C)CC1=O ZINC000391473725 386335551 /nfs/dbraw/zinc/33/55/51/386335551.db2.gz ISPUZWMBAWHTHP-IVZWLZJFSA-N 0 3 212.293 0.374 20 0 BCADHN CCc1cccc(NC(=O)CNC(=O)CNC)c1 ZINC000237000023 386335698 /nfs/dbraw/zinc/33/56/98/386335698.db2.gz 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UPDDMWQKTYVWNZ-LLVKDONJSA-N 0 3 237.303 0.183 20 0 BCADHN COC[C@@H]1CCN1C[C@@H](O)CCOC(C)C ZINC000339280997 386338915 /nfs/dbraw/zinc/33/89/15/386338915.db2.gz IEMPVKVFRWIBJV-RYUDHWBXSA-N 0 3 231.336 0.883 20 0 BCADHN Cc1[nH]nc(C(=O)N2CCN[C@H](C)[C@@H]2C)c1C ZINC000277443677 386436954 /nfs/dbraw/zinc/43/69/54/386436954.db2.gz FGAXVIMWXAKZKR-ZJUUUORDSA-N 0 3 236.319 0.849 20 0 BCADHN C[C@@H](NCc1nnnn1C)C1CCOCC1 ZINC000336777644 386437014 /nfs/dbraw/zinc/43/70/14/386437014.db2.gz JBLVIXZKSQFQJB-MRVPVSSYSA-N 0 3 225.296 0.115 20 0 BCADHN COCCCCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000417034319 386438314 /nfs/dbraw/zinc/43/83/14/386438314.db2.gz RPROROZWMGQOHH-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN CCOCCN1CCN(CC2(C)COC2)CC1 ZINC000336718223 386438652 /nfs/dbraw/zinc/43/86/52/386438652.db2.gz WWZUODAWTPBIIG-UHFFFAOYSA-N 0 3 242.363 0.677 20 0 BCADHN COC[C@H](NCC1(S(C)(=O)=O)CC1)C1CC1 ZINC000336754169 386442667 /nfs/dbraw/zinc/44/26/67/386442667.db2.gz FMFFCFQQZWFDBE-JTQLQIEISA-N 0 3 247.360 0.578 20 0 BCADHN COC[C@H](C)CN(C)CCN1CCCC1=O ZINC000527365854 386443178 /nfs/dbraw/zinc/44/31/78/386443178.db2.gz HIDZSVDVYCTPRM-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CCOC[C@@H](O)CN1CCSC[C@@H]1CCO ZINC000347538820 386444100 /nfs/dbraw/zinc/44/41/00/386444100.db2.gz SUDRIIWHZXTPLS-QWRGUYRKSA-N 0 3 249.376 0.184 20 0 BCADHN CN(CCNC(=O)/C=C/c1ccnn1C)C1CC1 ZINC000299370870 386444960 /nfs/dbraw/zinc/44/49/60/386444960.db2.gz IGXQZTPXRKOREA-AATRIKPKSA-N 0 3 248.330 0.644 20 0 BCADHN COc1ncncc1CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000648038065 386446398 /nfs/dbraw/zinc/44/63/98/386446398.db2.gz LTZLFGQQRLHULV-ZYHUDNBSSA-N 0 3 248.330 0.621 20 0 BCADHN CC(C)(C)CCNC(=O)NC[C@H]1CNCCO1 ZINC000417113878 386446468 /nfs/dbraw/zinc/44/64/68/386446468.db2.gz OBLVBHMQBGGYOZ-SNVBAGLBSA-N 0 3 243.351 0.710 20 0 BCADHN COCCCN(C)C(=O)[C@H](N)C1CCC1 ZINC000399198492 386446976 /nfs/dbraw/zinc/44/69/76/386446976.db2.gz SNDWLBPDSSTUHY-SNVBAGLBSA-N 0 3 214.309 0.609 20 0 BCADHN COc1ncncc1CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000648038064 386447473 /nfs/dbraw/zinc/44/74/73/386447473.db2.gz LTZLFGQQRLHULV-PWSUYJOCSA-N 0 3 248.330 0.621 20 0 BCADHN CN1CCN(CCOCCO)C(C)(C)C1 ZINC000347558590 386449268 /nfs/dbraw/zinc/44/92/68/386449268.db2.gz CRRQJTLWDXDJLZ-UHFFFAOYSA-N 0 3 216.325 0.021 20 0 BCADHN CCOCCN1CCC(CC(N)=O)CC1 ZINC000061332671 386450395 /nfs/dbraw/zinc/45/03/95/386450395.db2.gz ACIOBYZYVLVBBU-UHFFFAOYSA-N 0 3 214.309 0.610 20 0 BCADHN COC[C@@H]1CCN1C[C@H]1CNc2ccnn2C1 ZINC000648038635 386453002 /nfs/dbraw/zinc/45/30/02/386453002.db2.gz DAIXNBJVNFBPRL-MNOVXSKESA-N 0 3 236.319 0.646 20 0 BCADHN Cc1c(C(=O)N2CCN3CCC[C@@H]3C2)nnn1C ZINC000265957272 386388041 /nfs/dbraw/zinc/38/80/41/386388041.db2.gz OUBCQFZBSYGOLB-SNVBAGLBSA-N 0 3 249.318 0.044 20 0 BCADHN Cc1nnc2c(N3CC(N(C)C)C3)nccn12 ZINC000347406207 386390078 /nfs/dbraw/zinc/39/00/78/386390078.db2.gz BEIPAUZTPSRGSZ-UHFFFAOYSA-N 0 3 232.291 0.183 20 0 BCADHN CO[C@@H]1CN(CCn2ccnc2C)C[C@@H]1OC ZINC000276928651 386391112 /nfs/dbraw/zinc/39/11/12/386391112.db2.gz SSIYAQIBBUSWQJ-TXEJJXNPSA-N 0 3 239.319 0.537 20 0 BCADHN CCOC(=O)[C@](C)(O)CN(CC)CCOC ZINC000347354444 386392462 /nfs/dbraw/zinc/39/24/62/386392462.db2.gz RZGHLXHDQIGMID-LLVKDONJSA-N 0 3 233.308 0.269 20 0 BCADHN CC(C)CCNC(=O)NC[C@@H]1CNCCO1 ZINC000416802814 386394566 /nfs/dbraw/zinc/39/45/66/386394566.db2.gz UQDQPCZDBAYAOZ-JTQLQIEISA-N 0 3 229.324 0.320 20 0 BCADHN C[N@H+](CCCOC([O-])=NC(N)=O)CC1CCC1 ZINC000093173474 386396587 /nfs/dbraw/zinc/39/65/87/386396587.db2.gz AAGRRBKYRCBXTA-UHFFFAOYSA-N 0 3 243.307 0.913 20 0 BCADHN C[N@@H+](CCCOC([O-])=NC(N)=O)CC1CCC1 ZINC000093173474 386396592 /nfs/dbraw/zinc/39/65/92/386396592.db2.gz AAGRRBKYRCBXTA-UHFFFAOYSA-N 0 3 243.307 0.913 20 0 BCADHN C[N@H+](CCCOC(=O)N=C(N)[O-])CC1CCC1 ZINC000093173474 386396600 /nfs/dbraw/zinc/39/66/00/386396600.db2.gz AAGRRBKYRCBXTA-UHFFFAOYSA-N 0 3 243.307 0.913 20 0 BCADHN C[N@@H+](CCCOC(=O)N=C(N)[O-])CC1CCC1 ZINC000093173474 386396605 /nfs/dbraw/zinc/39/66/05/386396605.db2.gz AAGRRBKYRCBXTA-UHFFFAOYSA-N 0 3 243.307 0.913 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cnc(Cl)cc1C ZINC000290109711 386396667 /nfs/dbraw/zinc/39/66/67/386396667.db2.gz YJCQIEQVQMCHLR-MRVPVSSYSA-N 0 3 243.694 0.956 20 0 BCADHN C[C@H](CNC(=O)C[C@@](C)(O)C1CC1)N(C)C ZINC000339386681 386397293 /nfs/dbraw/zinc/39/72/93/386397293.db2.gz XWBXFRDHMOLLCT-BXKDBHETSA-N 0 3 228.336 0.604 20 0 BCADHN COC[C@H]1CN(C[C@H]2CCCOC2)CCO1 ZINC000336706244 386398098 /nfs/dbraw/zinc/39/80/98/386398098.db2.gz QYOKZTCSFZYSPG-VXGBXAGGSA-N 0 3 229.320 0.760 20 0 BCADHN C[C@H](NC(=O)/C=C/CN(C)C)c1cnn(C)c1 ZINC000266083924 386398108 /nfs/dbraw/zinc/39/81/08/386398108.db2.gz NHDYDJDOSLULDQ-PORFMDCZSA-N 0 3 236.319 0.715 20 0 BCADHN CC[C@H]1CN(CCN2CCNC2=O)CCCO1 ZINC000336705977 386398816 /nfs/dbraw/zinc/39/88/16/386398816.db2.gz LIVNLDDXMBFIJQ-NSHDSACASA-N 0 3 241.335 0.513 20 0 BCADHN C[C@@H](Cn1cccn1)NCCc1ncn(C)n1 ZINC000347430304 386399569 /nfs/dbraw/zinc/39/95/69/386399569.db2.gz OATTVYUEGDAYJW-JTQLQIEISA-N 0 3 234.307 0.232 20 0 BCADHN Cn1cc(CN2CCN(CC3CC3)CC2)nn1 ZINC000336700865 386400090 /nfs/dbraw/zinc/40/00/90/386400090.db2.gz FHNJIOPIRJAJJP-UHFFFAOYSA-N 0 3 235.335 0.343 20 0 BCADHN Cc1nccc(N2CCCN(C)CC2)n1 ZINC000266125885 386400854 /nfs/dbraw/zinc/40/08/54/386400854.db2.gz BPUGDOVYUGMCFE-UHFFFAOYSA-N 0 3 206.293 0.927 20 0 BCADHN O=C1CCN(CC[C@H](O)c2ccccc2)CCN1 ZINC000290226706 386409426 /nfs/dbraw/zinc/40/94/26/386409426.db2.gz IIXPTKKIRAFNKP-ZDUSSCGKSA-N 0 3 248.326 0.932 20 0 BCADHN C[C@@H](CN(C)C)NCc1cnc2cnccn12 ZINC000290236605 386409986 /nfs/dbraw/zinc/40/99/86/386409986.db2.gz YZQRFTTUUNCXNM-JTQLQIEISA-N 0 3 233.319 0.769 20 0 BCADHN CC[C@@H](C)N(CCO)C[C@H]1CCS(=O)(=O)C1 ZINC000347459819 386411578 /nfs/dbraw/zinc/41/15/78/386411578.db2.gz SNTGTMQRTLIWFW-GHMZBOCLSA-N 0 3 249.376 0.514 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@H](N2CCCC2=O)C1 ZINC000336706963 386411758 /nfs/dbraw/zinc/41/17/58/386411758.db2.gz NCYGHKBWGFDMEO-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN COC(=O)C(C)(C)CNC(=O)[C@H](N)C1CCC1 ZINC000399118254 386413841 /nfs/dbraw/zinc/41/38/41/386413841.db2.gz GWGPXYAOTSOPTD-SECBINFHSA-N 0 3 242.319 0.429 20 0 BCADHN Cc1ncc(C(=O)NC[C@H](C)N(C)C)c(C)n1 ZINC000347465472 386415206 /nfs/dbraw/zinc/41/52/06/386415206.db2.gz OWODXCJWOPWKCU-QMMMGPOBSA-N 0 3 236.319 0.773 20 0 BCADHN CCN(CC)C(=O)CN[C@H](C)[C@@H](C)CO ZINC000164901233 386415535 /nfs/dbraw/zinc/41/55/35/386415535.db2.gz HSOOUOYCBAXTFO-VHSXEESVSA-N 0 3 216.325 0.461 20 0 BCADHN CN(CCNC(=O)CCc1ccncn1)C1CC1 ZINC000277188818 386416577 /nfs/dbraw/zinc/41/65/77/386416577.db2.gz BEMLONSSKJRUDI-UHFFFAOYSA-N 0 3 248.330 0.620 20 0 BCADHN Cn1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1=O ZINC000237877647 386419071 /nfs/dbraw/zinc/41/90/71/386419071.db2.gz KSTDPFQHPKEADD-SECBINFHSA-N 0 3 237.303 0.697 20 0 BCADHN COCc1cc(C(=O)NC[C@@H](C)N(C)C)no1 ZINC000266266973 386419004 /nfs/dbraw/zinc/41/90/04/386419004.db2.gz OURRJRQKFWROAP-MRVPVSSYSA-N 0 3 241.291 0.501 20 0 BCADHN CO[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000336708610 386419677 /nfs/dbraw/zinc/41/96/77/386419677.db2.gz VQLJSYSJMGJAQC-GFCCVEGCSA-N 0 3 228.336 0.429 20 0 BCADHN CN(C)C[C@H]1CN(C[C@H]2CCOC2)CCO1 ZINC000336709322 386421501 /nfs/dbraw/zinc/42/15/01/386421501.db2.gz WSIJLQJBEUHXKK-NEPJUHHUSA-N 0 3 228.336 0.285 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C(=O)[C@H](N)C1CCC1 ZINC000399138801 386421695 /nfs/dbraw/zinc/42/16/95/386421695.db2.gz SWJHJNCPJZRQRX-WCBMZHEXSA-N 0 3 242.319 0.381 20 0 BCADHN CCN(CCO)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000339421544 386422648 /nfs/dbraw/zinc/42/26/48/386422648.db2.gz AKAFGABQNDKFCF-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN Cn1ccc(NC(=O)C2CCN(C)CC2)n1 ZINC000266295030 386424072 /nfs/dbraw/zinc/42/40/72/386424072.db2.gz QRZNVIUOHVCCRA-UHFFFAOYSA-N 0 3 222.292 0.700 20 0 BCADHN OC[C@@H](O)CNCc1cc2ccc(F)cc2[nH]1 ZINC000347501087 386425481 /nfs/dbraw/zinc/42/54/81/386425481.db2.gz SOHPDHANVFCEMY-NSHDSACASA-N 0 3 238.262 0.750 20 0 BCADHN COC[C@H](C)CNC(=O)N1CCCN(C)CC1 ZINC000347503644 386425911 /nfs/dbraw/zinc/42/59/11/386425911.db2.gz HLCCLBDRTLVFPV-LLVKDONJSA-N 0 3 243.351 0.616 20 0 BCADHN COC[C@H](NC(=O)[C@H](N)C1CCC1)C1CC1 ZINC000399164122 386427822 /nfs/dbraw/zinc/42/78/22/386427822.db2.gz DNHBSHZWCFXGLX-WDEREUQCSA-N 0 3 226.320 0.655 20 0 BCADHN CCOC(=O)COCCN1C[C@@H](O)CC[C@@H]1C ZINC000399167154 386430814 /nfs/dbraw/zinc/43/08/14/386430814.db2.gz BOHGSSCHHXGGLT-QWRGUYRKSA-N 0 3 245.319 0.411 20 0 BCADHN CCOC(=O)COCCN1C[C@@H](O)CC[C@H]1C ZINC000399167152 386430841 /nfs/dbraw/zinc/43/08/41/386430841.db2.gz BOHGSSCHHXGGLT-MNOVXSKESA-N 0 3 245.319 0.411 20 0 BCADHN COc1ccccc1/C=C/CNC[C@H](O)CO ZINC000347519239 386431106 /nfs/dbraw/zinc/43/11/06/386431106.db2.gz MXCLHLPDUQSWFD-FUEXJSSKSA-N 0 3 237.299 0.651 20 0 BCADHN CCN(C)CCNC(=O)[C@H](C)n1cccn1 ZINC000299258872 386432438 /nfs/dbraw/zinc/43/24/38/386432438.db2.gz AWVJUBCZBPCHRB-JTQLQIEISA-N 0 3 224.308 0.512 20 0 BCADHN CC(C)CCCNC(=O)NC[C@@H]1CNCCO1 ZINC000417010912 386435450 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ZINC000332053920 386551413 /nfs/dbraw/zinc/55/14/13/386551413.db2.gz MRKUXYNSKNPITF-SNVBAGLBSA-N 0 3 249.380 0.257 20 0 BCADHN NC(=O)[C@H]1CCCN1CC[C@@H]1CCOC1 ZINC000408414583 386551772 /nfs/dbraw/zinc/55/17/72/386551772.db2.gz LFGPEWNLTKNCHH-NXEZZACHSA-N 0 3 212.293 0.363 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CCNC[C@@H]1C(F)F ZINC000519775055 386554008 /nfs/dbraw/zinc/55/40/08/386554008.db2.gz NNWUFJQPAJDMDW-RKDXNWHRSA-N 0 3 249.305 0.440 20 0 BCADHN CC1(C)[C@H](N[C@@H]2CCNC2=O)[C@H]2CCCO[C@H]21 ZINC000519803219 386555047 /nfs/dbraw/zinc/55/50/47/386555047.db2.gz OUNXGERIOVXYSJ-GWOFURMSSA-N 0 3 238.331 0.668 20 0 BCADHN CC(C(=O)N1CC[C@@H]2CCC[C@H]21)S(C)(=O)=O ZINC000408372319 386555525 /nfs/dbraw/zinc/55/55/25/386555525.db2.gz ANQNDUSUSZDWPJ-KXUCPTDWSA-N 0 3 245.344 0.821 20 0 BCADHN CN(C)[C@H]1CN(C(=O)NCCC2CC2)C[C@@H]1O ZINC000647995931 386556788 /nfs/dbraw/zinc/55/67/88/386556788.db2.gz BUJCCSRPDAGISU-QWRGUYRKSA-N 0 3 241.335 0.103 20 0 BCADHN CCSCCN[C@H]1CC(=O)N(CC)C1 ZINC000391651373 386558678 /nfs/dbraw/zinc/55/86/78/386558678.db2.gz XBRYQJYNFYHAKO-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN CC[C@H]1CN(CCC(=O)NC(N)=O)CCCO1 ZINC000332063307 386560252 /nfs/dbraw/zinc/56/02/52/386560252.db2.gz ZJSSLVJFLKPTHC-VIFPVBQESA-N 0 3 243.307 0.072 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)CCCOC ZINC000062033463 386561368 /nfs/dbraw/zinc/56/13/68/386561368.db2.gz MFGPREQRBRBIPR-ZJUUUORDSA-N 0 3 216.325 0.855 20 0 BCADHN CC[C@]1(CO)CCCN(CCOCCO)C1 ZINC000187541386 386562138 /nfs/dbraw/zinc/56/21/38/386562138.db2.gz DWSKMMHXGSEXNH-LBPRGKRZSA-N 0 3 231.336 0.480 20 0 BCADHN CN(CCN1C[C@H](O)[C@@H](O)C1)c1ccccc1 ZINC000278668358 386564301 /nfs/dbraw/zinc/56/43/01/386564301.db2.gz IBMCSPWAYDLQDT-STQMWFEESA-N 0 3 236.315 0.160 20 0 BCADHN COCC[C@H](C)NCc1cc(C(N)=O)co1 ZINC000187577368 386564720 /nfs/dbraw/zinc/56/47/20/386564720.db2.gz FAXRUZAARKJRBA-QMMMGPOBSA-N 0 3 226.276 0.893 20 0 BCADHN CCN1C[C@@H](C)N(Cc2nnn(C)n2)C[C@H]1C ZINC000408421904 386568121 /nfs/dbraw/zinc/56/81/21/386568121.db2.gz CINLQUMLXMCBRS-NXEZZACHSA-N 0 3 238.339 0.125 20 0 BCADHN CCSCCN1CCN(CCO)[C@H](C)C1 ZINC000187654906 386568393 /nfs/dbraw/zinc/56/83/93/386568393.db2.gz XUVKSVXPADSKLP-LLVKDONJSA-N 0 3 232.393 0.738 20 0 BCADHN C[C@]1(C(=O)NC[C@H]2CCC[C@@H]2O)CCCCN1 ZINC000136183646 386569501 /nfs/dbraw/zinc/56/95/01/386569501.db2.gz CQHMWFYKQAERGJ-NTZNESFSSA-N 0 3 240.347 0.796 20 0 BCADHN NS(=O)(=O)C[C@@H]1CCCN1CC1CCC1 ZINC000408423104 386569923 /nfs/dbraw/zinc/56/99/23/386569923.db2.gz NREUKUYFVBPOLV-JTQLQIEISA-N 0 3 232.349 0.539 20 0 BCADHN CC(C)N(C)CC(=O)NCC[C@@H](C)O ZINC000136057556 386570311 /nfs/dbraw/zinc/57/03/11/386570311.db2.gz FAZBSIGYVFRIIN-SECBINFHSA-N 0 3 202.298 0.214 20 0 BCADHN CCN1C[C@H](N[C@@H](C)Cc2cnccn2)CC1=O ZINC000519864981 386572282 /nfs/dbraw/zinc/57/22/82/386572282.db2.gz IVJUUJUOBMYRHL-CMPLNLGQSA-N 0 3 248.330 0.618 20 0 BCADHN CN(C)CCSCC(=O)NCC1CC1 ZINC000339742075 386572549 /nfs/dbraw/zinc/57/25/49/386572549.db2.gz ZJBBJUUMIRFZPN-UHFFFAOYSA-N 0 3 216.350 0.807 20 0 BCADHN Cc1ccsc1[C@H](CO)NCCO ZINC000336646285 386620445 /nfs/dbraw/zinc/62/04/45/386620445.db2.gz CGKCQPBSIHLNHC-QMMMGPOBSA-N 0 3 201.291 0.672 20 0 BCADHN c1c[nH]c(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)n1 ZINC000644928531 386620591 /nfs/dbraw/zinc/62/05/91/386620591.db2.gz ZMQKFTKZNJBBRO-QYNIQEEDSA-N 0 3 217.232 0.883 20 0 BCADHN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccco1 ZINC000336646177 386621244 /nfs/dbraw/zinc/62/12/44/386621244.db2.gz BCPGKBKTJHVIGH-QMMMGPOBSA-N 0 3 232.305 0.541 20 0 BCADHN C[C@@H](O)CCN1CC[C@H](n2cncn2)C1 ZINC000644929750 386625679 /nfs/dbraw/zinc/62/56/79/386625679.db2.gz MIPYCVZEFQPVIB-ZJUUUORDSA-N 0 3 210.281 0.296 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(C=O)[nH]1 ZINC000268171372 386626643 /nfs/dbraw/zinc/62/66/43/386626643.db2.gz PURXCKQMBKYZRU-LLVKDONJSA-N 0 3 249.314 0.993 20 0 BCADHN C[C@H](O)CCN1CCN(CCO)C(C)(C)C1 ZINC000644931165 386628951 /nfs/dbraw/zinc/62/89/51/386628951.db2.gz WYFHRMNCMLIZOP-NSHDSACASA-N 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ZINC000267931634 386601018 /nfs/dbraw/zinc/60/10/18/386601018.db2.gz LVAZTUUKFRFACK-UHFFFAOYSA-N 0 3 239.319 0.968 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)[C@H]1CCOC1 ZINC000337104993 386601679 /nfs/dbraw/zinc/60/16/79/386601679.db2.gz HSCQRPUAVUWFKR-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CSC[C@@H](O)CN1CCSCC1 ZINC000187829612 386602040 /nfs/dbraw/zinc/60/20/40/386602040.db2.gz WCABHQYFSBDJFJ-QMMMGPOBSA-N 0 3 207.364 0.759 20 0 BCADHN COC[C@@H](NC(=O)N1CCCNCC1)C1CC1 ZINC000520203855 386602288 /nfs/dbraw/zinc/60/22/88/386602288.db2.gz JCYPQERRQQNJLX-LLVKDONJSA-N 0 3 241.335 0.416 20 0 BCADHN C=Cn1cc(CN2CC[C@@H]3C(=O)NC[C@@H]3C2)cn1 ZINC000365653988 386604172 /nfs/dbraw/zinc/60/41/72/386604172.db2.gz GSEQOGPCCQPWMB-NEPJUHHUSA-N 0 3 246.314 0.552 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)C1CC(C)(O)C1 ZINC000450696883 386607264 /nfs/dbraw/zinc/60/72/64/386607264.db2.gz HIIRMJXPPSHVPH-UHFFFAOYSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](O)CCN1CCN(C[C@H]2CCCO2)CC1 ZINC000644918696 386612411 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GFPGBHVNDDRSME-SNVBAGLBSA-N 0 3 246.376 0.800 20 0 BCADHN CC(C)[C@@H](SCCN(C)C)C(=O)NC(N)=O ZINC000120237594 386663121 /nfs/dbraw/zinc/66/31/21/386663121.db2.gz LTYRQQYTDIGUAM-MRVPVSSYSA-N 0 3 247.364 0.501 20 0 BCADHN CC(C)[C@H](O)CN1CCc2cn[nH]c2C1 ZINC000644998640 386663102 /nfs/dbraw/zinc/66/31/02/386663102.db2.gz HDIGYQJPPDZHNU-LLVKDONJSA-N 0 3 209.293 0.785 20 0 BCADHN CS[C@H]1CC[C@H]1NC1(C(N)=O)CC1 ZINC000425331562 386664075 /nfs/dbraw/zinc/66/40/75/386664075.db2.gz BTGAXZAQYOXYIU-RQJHMYQMSA-N 0 3 200.307 0.488 20 0 BCADHN CC(C)[C@](C)(CO)NCc1nccn1C ZINC000336759681 386667493 /nfs/dbraw/zinc/66/74/93/386667493.db2.gz LKEOIPWONLYCDS-NSHDSACASA-N 0 3 211.309 0.917 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CCN1CCCS1(=O)=O ZINC000335524996 386668788 /nfs/dbraw/zinc/66/87/88/386668788.db2.gz HMFCCOWMKAMJFA-PHIMTYICSA-N 0 3 246.376 0.895 20 0 BCADHN CC[C@@H](C)N1CCN(CCC(=O)N(C)C)CC1 ZINC000337209692 386669584 /nfs/dbraw/zinc/66/95/84/386669584.db2.gz BGJCJVYMZDAJSJ-GFCCVEGCSA-N 0 3 241.379 0.881 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386688419 /nfs/dbraw/zinc/68/84/19/386688419.db2.gz NUSYFWXYYGXKAG-ZJUUUORDSA-N 0 3 226.320 0.798 20 0 BCADHN COC(=O)CCCN1CCN(C)[C@@H](C)[C@@H]1C ZINC000357011753 386690026 /nfs/dbraw/zinc/69/00/26/386690026.db2.gz YGMIOQCACGEXFO-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CCO[C@H]1C[C@H]1NC(=O)NC[C@H](C)N(C)C ZINC000520517045 386691073 /nfs/dbraw/zinc/69/10/73/386691073.db2.gz QPXDMEKOOIUPLO-AEJSXWLSSA-N 0 3 229.324 0.413 20 0 BCADHN CO[C@@H]1CCN(CCN2CCO[C@@H](C)C2)C1 ZINC000337258140 386691522 /nfs/dbraw/zinc/69/15/22/386691522.db2.gz URPMJCJAYNPMRT-NWDGAFQWSA-N 0 3 228.336 0.428 20 0 BCADHN O=C1NC[C@@H]2[C@H]1CCCN2C[C@@H]1CCCCO1 ZINC000337258973 386692852 /nfs/dbraw/zinc/69/28/52/386692852.db2.gz VMVLZPADVJKGGU-QJPTWQEYSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@H](C1CCC1)N(C)CCNS(C)(=O)=O ZINC000357021969 386693891 /nfs/dbraw/zinc/69/38/91/386693891.db2.gz IYOPTEWUCBJZLV-SECBINFHSA-N 0 3 234.365 0.656 20 0 BCADHN CO[C@H](CNC(=O)[C@@H](C)N)c1ccc(F)cc1 ZINC000121656330 386711842 /nfs/dbraw/zinc/71/18/42/386711842.db2.gz YVKLOGUAQWYWBZ-LDYMZIIASA-N 0 3 240.278 0.977 20 0 BCADHN Cc1c[nH]nc1CNC[C@H]1CN(C)CCN1C ZINC000352840922 386694146 /nfs/dbraw/zinc/69/41/46/386694146.db2.gz PNGDXMRUCDWAQC-NSHDSACASA-N 0 3 237.351 0.054 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)Cn1cccn1 ZINC000340685608 386694983 /nfs/dbraw/zinc/69/49/83/386694983.db2.gz SQQWTFDRMFTQFP-LLVKDONJSA-N 0 3 236.319 0.436 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@H](C)N ZINC000335475364 386698596 /nfs/dbraw/zinc/69/85/96/386698596.db2.gz KDUUSPZEGOZLBE-UWVGGRQHSA-N 0 3 213.325 0.132 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@@H](C)N ZINC000335475383 386699194 /nfs/dbraw/zinc/69/91/94/386699194.db2.gz KDUUSPZEGOZLBE-ZJUUUORDSA-N 0 3 213.325 0.132 20 0 BCADHN COC[C@@H](C)NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417972467 386700329 /nfs/dbraw/zinc/70/03/29/386700329.db2.gz SUYIWALOADVCER-UTLUCORTSA-N 0 3 229.324 0.413 20 0 BCADHN CCOC[C@H](C)N[C@H]1CCCN(C)C1=O ZINC000336760147 386700291 /nfs/dbraw/zinc/70/02/91/386700291.db2.gz LNCIHKDLMZNBGC-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN COC[C@@H](C)NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000417972458 386700685 /nfs/dbraw/zinc/70/06/85/386700685.db2.gz SUYIWALOADVCER-BBBLOLIVSA-N 0 3 229.324 0.413 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ncnn1C ZINC000357041852 386701181 /nfs/dbraw/zinc/70/11/81/386701181.db2.gz PRRXFCXMNAPXNI-VHSXEESVSA-N 0 3 223.324 0.340 20 0 BCADHN CC[C@@H](N)C(=O)NCCCOC1CCOCC1 ZINC000520576751 386701997 /nfs/dbraw/zinc/70/19/97/386701997.db2.gz STJPXWUBZDBVGG-LLVKDONJSA-N 0 3 244.335 0.426 20 0 BCADHN CCN(C)CCNC(=O)Cn1nc(C)cc1C ZINC000066958596 386712089 /nfs/dbraw/zinc/71/20/89/386712089.db2.gz KKLLLFPASYKOLQ-UHFFFAOYSA-N 0 3 238.335 0.568 20 0 BCADHN CNC(=O)C[C@H](NC(=O)[C@H](C)N)c1ccccc1 ZINC000520584257 386704115 /nfs/dbraw/zinc/70/41/15/386704115.db2.gz MCXPMWHQKYIKOX-ONGXEEELSA-N 0 3 249.314 0.327 20 0 BCADHN CCCCN(CCCC(=O)NC)CC(N)=O ZINC000647959018 386704094 /nfs/dbraw/zinc/70/40/94/386704094.db2.gz SRMIYVUDJOXDMR-UHFFFAOYSA-N 0 3 229.324 0.100 20 0 BCADHN Cc1c[nH]nc1CNC[C@@H](O)C1CCOCC1 ZINC000352843485 386704180 /nfs/dbraw/zinc/70/41/80/386704180.db2.gz WXGKMOURIFINLX-GFCCVEGCSA-N 0 3 239.319 0.595 20 0 BCADHN Cc1nc(CN[C@@H]2CCCC[C@H]2C(N)=O)n[nH]1 ZINC000292674171 386708080 /nfs/dbraw/zinc/70/80/80/386708080.db2.gz BPURNQDQCRZYAV-RKDXNWHRSA-N 0 3 237.307 0.247 20 0 BCADHN CCCn1cc(CN[C@H](CO)CCOC)cn1 ZINC000302264987 386708342 /nfs/dbraw/zinc/70/83/42/386708342.db2.gz GBJBWLYWVSBLAE-LBPRGKRZSA-N 0 3 241.335 0.780 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@@H]1CCCC[C@H]1O ZINC000647958446 386708565 /nfs/dbraw/zinc/70/85/65/386708565.db2.gz XTIBKJXAWLTJHJ-NWDGAFQWSA-N 0 3 242.363 0.981 20 0 BCADHN c1n[nH]nc1CCN1CCN(C2CC2)CC1 ZINC000647960740 386730456 /nfs/dbraw/zinc/73/04/56/386730456.db2.gz GJEAVQZIUDFCIR-UHFFFAOYSA-N 0 3 221.308 0.127 20 0 BCADHN c1[nH]nnc1CCN1CCN(C2CC2)CC1 ZINC000647960740 386730461 /nfs/dbraw/zinc/73/04/61/386730461.db2.gz GJEAVQZIUDFCIR-UHFFFAOYSA-N 0 3 221.308 0.127 20 0 BCADHN CC[C@H](N)C(=O)N1CCOC2(CCCC2)C1 ZINC000335534008 386733914 /nfs/dbraw/zinc/73/39/14/386733914.db2.gz RTRQULROWKLESL-JTQLQIEISA-N 0 3 226.320 0.895 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@H]1C=CCCC1 ZINC000335534018 386734173 /nfs/dbraw/zinc/73/41/73/386734173.db2.gz RUYZMVAPGRWPIM-WDEREUQCSA-N 0 3 224.304 0.590 20 0 BCADHN CN1CCC(C(=O)N2CC(C)(C(N)=O)C2)CC1 ZINC000335534112 386734485 /nfs/dbraw/zinc/73/44/85/386734485.db2.gz FUFCWULUUKSGOM-UHFFFAOYSA-N 0 3 239.319 0.712 20 0 BCADHN CCN(CCc1cn[nH]n1)C[C@H]1CCCO1 ZINC000647961704 386735117 /nfs/dbraw/zinc/73/51/17/386735117.db2.gz ZCWUYGSJZXXADK-LLVKDONJSA-N 0 3 224.308 0.848 20 0 BCADHN COC[C@@H]1C[C@H](O)CN1Cc1ccn(C)c1 ZINC000414497027 386737155 /nfs/dbraw/zinc/73/71/55/386737155.db2.gz ZWIYEMHLYASKNP-RYUDHWBXSA-N 0 3 224.304 0.607 20 0 BCADHN COCCN(CCc1ccccc1)C(=O)CN ZINC000269034664 386737936 /nfs/dbraw/zinc/73/79/36/386737936.db2.gz CQLFCRWLOAREBI-UHFFFAOYSA-N 0 3 236.315 0.663 20 0 BCADHN COC(CN1CCC2(CCO2)CC1)OC ZINC000367255494 386739265 /nfs/dbraw/zinc/73/92/65/386739265.db2.gz XUDCJZMVSNMACW-UHFFFAOYSA-N 0 3 215.293 0.860 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cn2cc(C)ccc2n1 ZINC000357134793 386723177 /nfs/dbraw/zinc/72/31/77/386723177.db2.gz QZDWBUFCSBTTMS-LLVKDONJSA-N 0 3 246.314 0.996 20 0 BCADHN CN(C)C[C@@H]1CCCN1c1ncnc2n[nH]cc21 ZINC000357133287 386723534 /nfs/dbraw/zinc/72/35/34/386723534.db2.gz WQXGAJCAZLUUNF-VIFPVBQESA-N 0 3 246.318 0.883 20 0 BCADHN CO[C@@H](C(=O)N1CCNC(C)(C)C1)C1CC1 ZINC000335542656 386725921 /nfs/dbraw/zinc/72/59/21/386725921.db2.gz QOMURIOPMPNQMR-SNVBAGLBSA-N 0 3 226.320 0.622 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCOCCOC ZINC000044727215 386728035 /nfs/dbraw/zinc/72/80/35/386728035.db2.gz ACZBPPHCKMDXOX-LLVKDONJSA-N 0 3 232.324 0.283 20 0 BCADHN C[C@H](CO)[C@H](C)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000330472646 386728743 /nfs/dbraw/zinc/72/87/43/386728743.db2.gz PMLFCEGOMFDJQQ-RHYQMDGZSA-N 0 3 242.363 0.992 20 0 BCADHN Cc1noc(C)c1CNC[C@@H]1COCCN1C ZINC000623711079 386729104 /nfs/dbraw/zinc/72/91/04/386729104.db2.gz UNZCFCVEAYOHMA-LLVKDONJSA-N 0 3 239.319 0.712 20 0 BCADHN C[C@@H](C(=O)N(C)C[C@H]1CCCN1C)N(C)C ZINC000643364431 386729272 /nfs/dbraw/zinc/72/92/72/386729272.db2.gz LMKDRCJSLCBGHJ-WDEREUQCSA-N 0 3 227.352 0.489 20 0 BCADHN COC[C@@H]1C[C@H](O)CN1Cc1cccn1C ZINC000414493753 386730258 /nfs/dbraw/zinc/73/02/58/386730258.db2.gz TZTZHLDGABTQRW-RYUDHWBXSA-N 0 3 224.304 0.607 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000269066139 386744602 /nfs/dbraw/zinc/74/46/02/386744602.db2.gz ODUXNOCKAUIJSB-DTWKUNHWSA-N 0 3 222.292 0.641 20 0 BCADHN CCOC[C@H](O)CN[C@H](C)c1cnn(C)c1 ZINC000269056422 386745011 /nfs/dbraw/zinc/74/50/11/386745011.db2.gz SIEQBQBSVQSPMY-MWLCHTKSSA-N 0 3 227.308 0.468 20 0 BCADHN O=C(CN[C@H]1CCC[C@@H]1OC(F)F)N1CCC1 ZINC000348519711 386747237 /nfs/dbraw/zinc/74/72/37/386747237.db2.gz FQPMAURCNUNGTF-IUCAKERBSA-N 0 3 248.273 0.969 20 0 BCADHN Cc1nc(C2(NC(=O)CN)CCCCC2)no1 ZINC000269077875 386747879 /nfs/dbraw/zinc/74/78/79/386747879.db2.gz CPWFAMKJNCMEED-UHFFFAOYSA-N 0 3 238.291 0.612 20 0 BCADHN CCN(C)CCNC(=O)C[C@H](C)CC(=O)OC ZINC000348528928 386749909 /nfs/dbraw/zinc/74/99/09/386749909.db2.gz CVLLQVBPMBGLHQ-JTQLQIEISA-N 0 3 244.335 0.644 20 0 BCADHN C[C@H](O)C1CCN(CCc2cn[nH]n2)CC1 ZINC000647963903 386750341 /nfs/dbraw/zinc/75/03/41/386750341.db2.gz HGWKHKMYYAPISN-VIFPVBQESA-N 0 3 224.308 0.440 20 0 BCADHN C[C@H](N)C(=O)NCCN(C)Cc1ccccc1 ZINC000165931934 386750524 /nfs/dbraw/zinc/75/05/24/386750524.db2.gz MSTAKUXVEXNZMN-NSHDSACASA-N 0 3 235.331 0.582 20 0 BCADHN CCNC(=O)[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC000348524658 386750897 /nfs/dbraw/zinc/75/08/97/386750897.db2.gz DLYNTKRAIKXKBK-VHSXEESVSA-N 0 3 243.351 0.213 20 0 BCADHN CC[C@](C)(NC[C@H]1CC[C@H](C)O1)C(N)=O ZINC000190897487 386751102 /nfs/dbraw/zinc/75/11/02/386751102.db2.gz HCIATOQGHAIOSD-NGZCFLSTSA-N 0 3 214.309 0.798 20 0 BCADHN Cc1c(C(=O)NCCN)[nH]c2c1C(=O)CCC2 ZINC000269106211 386751794 /nfs/dbraw/zinc/75/17/94/386751794.db2.gz DUNXVDPIIAGECW-UHFFFAOYSA-N 0 3 235.287 0.531 20 0 BCADHN CC[C@@H](C(=O)NCCN1CCCCC1)[C@H](C)O ZINC000357286842 386754882 /nfs/dbraw/zinc/75/48/82/386754882.db2.gz FVYYLXDQUMQEAA-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN CCCCN(CC(N)=O)C(=O)[C@@H](C)NC1CC1 ZINC000394953751 386756648 /nfs/dbraw/zinc/75/66/48/386756648.db2.gz OOWRFFSDXOCNQY-SECBINFHSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@@H]1C[C@@H](NCc2cnc(N)nc2N)CS1 ZINC000639263390 386757471 /nfs/dbraw/zinc/75/74/71/386757471.db2.gz UJPWJVMTAHCKFM-HTRCEHHLSA-N 0 3 239.348 0.285 20 0 BCADHN C[C@H](O)C(=O)N1CCCC[C@H]1CN(C)C ZINC000527043550 386759819 /nfs/dbraw/zinc/75/98/19/386759819.db2.gz GDPLSTIRPJBFTJ-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN Cc1ccn2cc(CNC(=O)C3(N)CC3)nc2c1 ZINC000269236717 386763246 /nfs/dbraw/zinc/76/32/46/386763246.db2.gz HJZXVOKSAXUHIN-UHFFFAOYSA-N 0 3 244.298 0.750 20 0 BCADHN Cc1cnn(CCN[C@H]2C(=O)NCC[C@H]2C)c1 ZINC000330504997 386763316 /nfs/dbraw/zinc/76/33/16/386763316.db2.gz JNGRINDRJVCFKU-GHMZBOCLSA-N 0 3 236.319 0.306 20 0 BCADHN Cc1nc(CN2CCc3n[nH]cc3C2)n[nH]1 ZINC000293051105 386770212 /nfs/dbraw/zinc/77/02/12/386770212.db2.gz FUYRVRONXZQUPQ-UHFFFAOYSA-N 0 3 218.264 0.395 20 0 BCADHN CC1(C)CCCN[C@H]1C(=O)NCC(F)(F)CN ZINC000417801751 386764666 /nfs/dbraw/zinc/76/46/66/386764666.db2.gz CZIJXYGVZNBSKD-QMMMGPOBSA-N 0 3 249.305 0.475 20 0 BCADHN CC[C@H](N)C(=O)NCCc1cn2ccccc2n1 ZINC000269249074 386766331 /nfs/dbraw/zinc/76/63/31/386766331.db2.gz WQGHJTMINYEMDM-NSHDSACASA-N 0 3 246.314 0.730 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)c1cnn(C)c1 ZINC000269244563 386767652 /nfs/dbraw/zinc/76/76/52/386767652.db2.gz DBDOYRQLORYWCG-SECBINFHSA-N 0 3 210.281 0.366 20 0 BCADHN CN(CCNC(=O)N(C)C)C[C@H]1CCCOC1 ZINC000348923478 386768926 /nfs/dbraw/zinc/76/89/26/386768926.db2.gz WRONXCJEGNAWSD-LLVKDONJSA-N 0 3 243.351 0.616 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000269049309 386741561 /nfs/dbraw/zinc/74/15/61/386741561.db2.gz IDQDKKLMKIYSAN-YDEJPDAXSA-N 0 3 234.299 0.498 20 0 BCADHN CO[C@H]1CCN([C@@H](C)CN2CCOCC2)C1 ZINC000340877430 386796777 /nfs/dbraw/zinc/79/67/77/386796777.db2.gz SEXROTALEGKNKU-RYUDHWBXSA-N 0 3 228.336 0.428 20 0 BCADHN COC(=O)[C@H]1CC12CCN(CCO)CC2 ZINC000340864814 386793484 /nfs/dbraw/zinc/79/34/84/386793484.db2.gz QLVRVWLRFYLENX-SECBINFHSA-N 0 3 213.277 0.254 20 0 BCADHN CC(C(=O)N[C@H]1[C@@H]2CCC[C@@H]21)S(C)(=O)=O ZINC000428076929 386793936 /nfs/dbraw/zinc/79/39/36/386793936.db2.gz CSJNKBRRLZKZDV-RBXMUDONSA-N 0 3 231.317 0.334 20 0 BCADHN COC1CCN(C(=O)N[C@H](C)CN(C)C)CC1 ZINC000344888237 386794190 /nfs/dbraw/zinc/79/41/90/386794190.db2.gz JNNFUHAODZRZAQ-SNVBAGLBSA-N 0 3 243.351 0.757 20 0 BCADHN CO[C@@H]1CCN([C@@H](C)CN2CCOCC2)C1 ZINC000340877429 386795305 /nfs/dbraw/zinc/79/53/05/386795305.db2.gz SEXROTALEGKNKU-NWDGAFQWSA-N 0 3 228.336 0.428 20 0 BCADHN CN(CCN1CCNC1=O)CC1(O)CCC1 ZINC000329664527 386770810 /nfs/dbraw/zinc/77/08/10/386770810.db2.gz QLCYVMZEUVYDQG-UHFFFAOYSA-N 0 3 227.308 0.063 20 0 BCADHN CC[C@H](N)C(=O)Nc1cnccc1-n1ccnc1 ZINC000269267175 386771462 /nfs/dbraw/zinc/77/14/62/386771462.db2.gz PUSCJIKTVCQUPC-VIFPVBQESA-N 0 3 245.286 0.943 20 0 BCADHN C[C@](O)(C(=O)NCCN1CCCCC1)C1CC1 ZINC000340776167 386771785 /nfs/dbraw/zinc/77/17/85/386771785.db2.gz YFDPSRALCCTVQN-CYBMUJFWSA-N 0 3 240.347 0.750 20 0 BCADHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)NC1CC1 ZINC000357381772 386772863 /nfs/dbraw/zinc/77/28/63/386772863.db2.gz URKFVBIKAVXBFA-SECBINFHSA-N 0 3 241.335 0.110 20 0 BCADHN CC[C@@](C)(O)CN1CC[C@@H](NC(=O)NC)C1 ZINC000408443864 386778498 /nfs/dbraw/zinc/77/84/98/386778498.db2.gz QSQADOHGTUNGPZ-MWLCHTKSSA-N 0 3 229.324 0.151 20 0 BCADHN Cc1cnn(CCN(C)[C@]2(CO)CCOC2)c1 ZINC000330535380 386778546 /nfs/dbraw/zinc/77/85/46/386778546.db2.gz ORNBUALBGBUUMT-LBPRGKRZSA-N 0 3 239.319 0.275 20 0 BCADHN CCC1(CO)CCN(CCn2cncn2)CC1 ZINC000330531794 386778843 /nfs/dbraw/zinc/77/88/43/386778843.db2.gz PHDWKBOMZPKISY-UHFFFAOYSA-N 0 3 238.335 0.763 20 0 BCADHN CCCCN(C)CCNC(=O)[C@@H](O)C(C)C ZINC000352864490 386779012 /nfs/dbraw/zinc/77/90/12/386779012.db2.gz VEJFMPDLSJSIJE-NSHDSACASA-N 0 3 230.352 0.851 20 0 BCADHN CSCCCN1CC[C@H](NC(N)=O)C1 ZINC000330538651 386782092 /nfs/dbraw/zinc/78/20/92/386782092.db2.gz YDBVTGIUONZMPO-QMMMGPOBSA-N 0 3 217.338 0.896 20 0 BCADHN COC[C@@H]1C[C@@H](OC)CN1CCn1cncn1 ZINC000330543558 386784397 /nfs/dbraw/zinc/78/43/97/386784397.db2.gz XMTLYBCDHZBLLT-WDEREUQCSA-N 0 3 240.307 0.014 20 0 BCADHN CCS(=O)(=O)CCCN[C@@H]1COC(C)(C)C1 ZINC000396600199 386785521 /nfs/dbraw/zinc/78/55/21/386785521.db2.gz PIQNJNXJWFEVSP-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN Cn1nncc1CNC[C@H]1CCCOC1 ZINC000129720151 386786271 /nfs/dbraw/zinc/78/62/71/386786271.db2.gz FTGFBRTYTZPPJN-SECBINFHSA-N 0 3 210.281 0.331 20 0 BCADHN C[C@H](NCC1(CO)CCOCC1)c1ncc[nH]1 ZINC000330613819 386787651 /nfs/dbraw/zinc/78/76/51/386787651.db2.gz RPCWUEPXSNOWRW-JTQLQIEISA-N 0 3 239.319 0.849 20 0 BCADHN CO[C@@](C)(CN[C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000336668180 386788025 /nfs/dbraw/zinc/78/80/25/386788025.db2.gz QWRNBMLUPFOPIK-ONGXEEELSA-N 0 3 249.376 0.824 20 0 BCADHN CCCCCNC(=O)CN[C@H](CO)C(C)C ZINC000411498849 386820882 /nfs/dbraw/zinc/82/08/82/386820882.db2.gz BVHKNPMJHIFIIX-LLVKDONJSA-N 0 3 230.352 0.899 20 0 BCADHN CO[C@H](C(=O)NCCN(C)C1CC1)C(C)C ZINC000352877330 386822233 /nfs/dbraw/zinc/82/22/33/386822233.db2.gz PHRQTNKRJVXPDK-NSHDSACASA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCCC(=O)NC ZINC000398429588 386823903 /nfs/dbraw/zinc/82/39/03/386823903.db2.gz ZICKQCDHVDFADE-WCBMZHEXSA-N 0 3 229.324 0.002 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H](CO)C1CCCC1 ZINC000336744105 386798575 /nfs/dbraw/zinc/79/85/75/386798575.db2.gz PUVQBPTYFWTYTD-ONGXEEELSA-N 0 3 249.376 0.560 20 0 BCADHN CN(C)C/C=C/C(=O)NCC(C)(C)CCO ZINC000269484285 386799584 /nfs/dbraw/zinc/79/95/84/386799584.db2.gz BOUPVCBSANDOHW-AATRIKPKSA-N 0 3 228.336 0.629 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CCNC(C)(C)C1 ZINC000417840716 386800354 /nfs/dbraw/zinc/80/03/54/386800354.db2.gz SCGZSXFBTAFXHK-SNVBAGLBSA-N 0 3 227.352 0.714 20 0 BCADHN CN(CCO)[C@H](CC(N)=O)c1ccccc1 ZINC000280301226 386801881 /nfs/dbraw/zinc/80/18/81/386801881.db2.gz FSULPOMDARQTGK-LLVKDONJSA-N 0 3 222.288 0.527 20 0 BCADHN COC[C@@H](O)CCNCc1cnc(C)nc1 ZINC000336761758 386803105 /nfs/dbraw/zinc/80/31/05/386803105.db2.gz KTEGYYDUBFFIIZ-NSHDSACASA-N 0 3 225.292 0.272 20 0 BCADHN CC[C@@H](C)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000340952521 386804104 /nfs/dbraw/zinc/80/41/04/386804104.db2.gz KASGYNIASFEJLX-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN COC(=O)C[C@H]1CSCCN1C[C@@H](C)O ZINC000192990850 386807411 /nfs/dbraw/zinc/80/74/11/386807411.db2.gz MSGINHRWEBYLJJ-BDAKNGLRSA-N 0 3 233.333 0.348 20 0 BCADHN COC[C@@H]1CCN(C(=O)N[C@H](C)CN(C)C)C1 ZINC000344938817 386808758 /nfs/dbraw/zinc/80/87/58/386808758.db2.gz MJHAACHFYHTRIX-GHMZBOCLSA-N 0 3 243.351 0.614 20 0 BCADHN COCCNCCNC(=O)N[C@@H]1C=CCCC1 ZINC000417865744 386809141 /nfs/dbraw/zinc/80/91/41/386809141.db2.gz CYIGKTKGLIAUJC-LLVKDONJSA-N 0 3 241.335 0.630 20 0 BCADHN CO[C@@H](C(=O)NC[C@@H]1CCCN1C)C(C)C ZINC000352874652 386811576 /nfs/dbraw/zinc/81/15/76/386811576.db2.gz FNROXPZXTFPTGL-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN CO[C@H](C(=O)NC[C@H]1CCCN1C)C(C)C ZINC000352874649 386811933 /nfs/dbraw/zinc/81/19/33/386811933.db2.gz FNROXPZXTFPTGL-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN Cc1nnc(CN(C)C[C@@H]2CCCN2C)o1 ZINC000357598155 386812297 /nfs/dbraw/zinc/81/22/97/386812297.db2.gz YHUGJAWTYQUABB-JTQLQIEISA-N 0 3 224.308 0.904 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000395054091 386813759 /nfs/dbraw/zinc/81/37/59/386813759.db2.gz MZOGWAMSRWTLQP-XWLWVQCSSA-N 0 3 249.376 0.965 20 0 BCADHN CC[C@H]1CC[C@H](C)N1CC(=O)NCC(=O)OC ZINC000330668239 386815762 /nfs/dbraw/zinc/81/57/62/386815762.db2.gz XQKCTVIEPRAFFM-UWVGGRQHSA-N 0 3 242.319 0.539 20 0 BCADHN Cc1nocc1CNC[C@@]1(O)CCO[C@@H]1C ZINC000293359484 386826422 /nfs/dbraw/zinc/82/64/22/386826422.db2.gz UMKPXIXGZIGLGA-KOLCDFICSA-N 0 3 226.276 0.613 20 0 BCADHN CC[C@H](CO)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000330685313 386829714 /nfs/dbraw/zinc/82/97/14/386829714.db2.gz LFMYFHLVVKENLC-OUAUKWLOSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000330687487 386829730 /nfs/dbraw/zinc/82/97/30/386829730.db2.gz WECKBGYOFIPGBW-DJLDLDEBSA-N 0 3 243.307 0.136 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C(C)(C)c1c[nH]cn1 ZINC000330684250 386830234 /nfs/dbraw/zinc/83/02/34/386830234.db2.gz SIJQDYHEXLQWHG-VIFPVBQESA-N 0 3 238.335 0.754 20 0 BCADHN C[C@]1(C(=O)N2CCN3CCC[C@H]3C2)CCCO1 ZINC000334779570 386832780 /nfs/dbraw/zinc/83/27/80/386832780.db2.gz JNFBWYXBFMHSOP-WCQYABFASA-N 0 3 238.331 0.862 20 0 BCADHN CN(CCCO)[C@H](CC(N)=O)c1ccccc1 ZINC000280633530 386832855 /nfs/dbraw/zinc/83/28/55/386832855.db2.gz XQKZBLBDLWLGJD-GFCCVEGCSA-N 0 3 236.315 0.917 20 0 BCADHN C[C@@]1(C(=O)N2CCN3CCC[C@H]3C2)CCCO1 ZINC000334779568 386833751 /nfs/dbraw/zinc/83/37/51/386833751.db2.gz JNFBWYXBFMHSOP-AAEUAGOBSA-N 0 3 238.331 0.862 20 0 BCADHN O=C1NC[C@@H]2[C@H]1CCCN2CCc1cccnc1 ZINC000334816044 386835684 /nfs/dbraw/zinc/83/56/84/386835684.db2.gz BOLDCEXUXNZOQX-CHWSQXEVSA-N 0 3 245.326 0.835 20 0 BCADHN CC(C)[C@@H](C(=O)N1C[C@H](O)C(C)(C)C1)N(C)C ZINC000334781989 386836632 /nfs/dbraw/zinc/83/66/32/386836632.db2.gz VZUGSTYTPIQJNA-QWRGUYRKSA-N 0 3 242.363 0.802 20 0 BCADHN CC(C)[C@H](C(=O)N1C[C@H](O)C(C)(C)C1)N(C)C ZINC000334781990 386837377 /nfs/dbraw/zinc/83/73/77/386837377.db2.gz VZUGSTYTPIQJNA-WDEREUQCSA-N 0 3 242.363 0.802 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@@H](CO)c1cnn(C)c1 ZINC000425339419 386838796 /nfs/dbraw/zinc/83/87/96/386838796.db2.gz COGZGHZXGJOFKQ-GARJFASQSA-N 0 3 241.360 0.937 20 0 BCADHN CC(=O)N1CCN(C[C@H](O)C(C)(C)C)[C@H](C)C1 ZINC000334783341 386840039 /nfs/dbraw/zinc/84/00/39/386840039.db2.gz JODHJULRMNYYCD-PWSUYJOCSA-N 0 3 242.363 0.946 20 0 BCADHN CN(CCNC(=O)[C@](C)(O)C1CC1)C1CC1 ZINC000341104079 386841236 /nfs/dbraw/zinc/84/12/36/386841236.db2.gz SJCPSVPCMNPAFB-GFCCVEGCSA-N 0 3 226.320 0.358 20 0 BCADHN CC[C@H](O)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000330677080 386853453 /nfs/dbraw/zinc/85/34/53/386853453.db2.gz UTKAKHRUFITYES-AXFHLTTASA-N 0 3 228.336 0.746 20 0 BCADHN C[C@@H](CCO)CNC(=O)NCCN(C)C1CC1 ZINC000341122909 386842308 /nfs/dbraw/zinc/84/23/08/386842308.db2.gz JKAJBFGWVWCGKF-JTQLQIEISA-N 0 3 243.351 0.398 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000331373940 386846447 /nfs/dbraw/zinc/84/64/47/386846447.db2.gz HEPJSMLKAVCARB-KXUCPTDWSA-N 0 3 232.349 0.395 20 0 BCADHN CCN1CC[C@H]2OCCN(C[C@H](C)CO)[C@H]2C1 ZINC000645178474 386846475 /nfs/dbraw/zinc/84/64/75/386846475.db2.gz OAZHDPXHGVTQBN-RWMBFGLXSA-N 0 3 242.363 0.410 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](C)NC2CC2)CCO1 ZINC000395077903 386847162 /nfs/dbraw/zinc/84/71/62/386847162.db2.gz PAABRNVKVFWXDP-MWLCHTKSSA-N 0 3 226.320 0.764 20 0 BCADHN Cc1ccc(CN2C[C@@H](O)C[C@]2(C)CO)cn1 ZINC000639848742 386847479 /nfs/dbraw/zinc/84/74/79/386847479.db2.gz OMYHSCALJSGQQD-QWHCGFSZSA-N 0 3 236.315 0.708 20 0 BCADHN CN(CC(=O)N1CCC1)C[C@@H]1CCCOC1 ZINC000341154066 386847593 /nfs/dbraw/zinc/84/75/93/386847593.db2.gz FCYYUAWILNYXRM-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN CC[C@H](CO)N(C)CCn1c(C)csc1=O ZINC000293619753 386848828 /nfs/dbraw/zinc/84/88/28/386848828.db2.gz DLMFUTZAFGAUFX-SNVBAGLBSA-N 0 3 244.360 0.921 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCCCn1ccnc1 ZINC000645185848 386849812 /nfs/dbraw/zinc/84/98/12/386849812.db2.gz SBNYCVNFDPPSMT-JTQLQIEISA-N 0 3 236.319 0.387 20 0 BCADHN C[C@@H](Cc1cnccn1)NCc1ccnn1C ZINC000340434403 386851371 /nfs/dbraw/zinc/85/13/71/386851371.db2.gz HJYCFNKCSYFFBY-JTQLQIEISA-N 0 3 231.303 0.931 20 0 BCADHN CN(CCNC(=O)C1(O)CCCC1)C1CC1 ZINC000331417360 386851775 /nfs/dbraw/zinc/85/17/75/386851775.db2.gz CJNOAOIOGCCNHG-UHFFFAOYSA-N 0 3 226.320 0.502 20 0 BCADHN Cc1cnccc1CN1C[C@H](O)C[C@@]1(C)CO ZINC000639849258 386852828 /nfs/dbraw/zinc/85/28/28/386852828.db2.gz SZMQJQXZRZGBKT-OLZOCXBDSA-N 0 3 236.315 0.708 20 0 BCADHN COC1(CC(=O)NCCN(C)C)CCC1 ZINC000358084139 386891237 /nfs/dbraw/zinc/89/12/37/386891237.db2.gz CLQSBXOXHUZCBZ-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CCN(CC)CC(=O)N1CC(OC)C1 ZINC000358091938 386891372 /nfs/dbraw/zinc/89/13/72/386891372.db2.gz IXVPFVXPNDTWSC-UHFFFAOYSA-N 0 3 200.282 0.185 20 0 BCADHN CC(C)(O)CCN1CCC[C@@H]1C(=O)NC1CC1 ZINC000370167697 386856046 /nfs/dbraw/zinc/85/60/46/386856046.db2.gz TWXZLVPVGFSRQM-LLVKDONJSA-N 0 3 240.347 0.890 20 0 BCADHN CCc1cc(C(=O)NCCN(C)C2CC2)[nH]n1 ZINC000331455113 386856288 /nfs/dbraw/zinc/85/62/88/386856288.db2.gz JTDVEQQHXVZKFK-UHFFFAOYSA-N 0 3 236.319 0.796 20 0 BCADHN COC[C@H](O)CCN[C@H](C)c1ccnn1C ZINC000193063199 386856421 /nfs/dbraw/zinc/85/64/21/386856421.db2.gz ACJZTRJRKBAUEC-NXEZZACHSA-N 0 3 227.308 0.468 20 0 BCADHN CO[C@H](C(=O)N(C)CCN1CCCC1)C1CC1 ZINC000349509674 386856668 /nfs/dbraw/zinc/85/66/68/386856668.db2.gz RREZLUXAHAIGPQ-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](CC(=O)N(C)C)N[C@H]1CCCN(C)C1=O ZINC000341315093 386894108 /nfs/dbraw/zinc/89/41/08/386894108.db2.gz QNLYAFMWEBJMAM-UWVGGRQHSA-N 0 3 241.335 0.064 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)NCCCO)CCN1C ZINC000341196989 386860319 /nfs/dbraw/zinc/86/03/19/386860319.db2.gz JEGRDGJEWFEPGH-NXEZZACHSA-N 0 3 229.324 0.151 20 0 BCADHN C[C@@H](O)C[C@@H](C)NC(=O)NCCN(C)C1CC1 ZINC000341201285 386860668 /nfs/dbraw/zinc/86/06/68/386860668.db2.gz MLWQIRAXBBKULL-NXEZZACHSA-N 0 3 243.351 0.539 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)CC(C)(C)O ZINC000349541629 386860773 /nfs/dbraw/zinc/86/07/73/386860773.db2.gz ABUZVSZYZMOIAA-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN CCN(CCO)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341203604 386862842 /nfs/dbraw/zinc/86/28/42/386862842.db2.gz ORYAYAKKAUYHLI-MNOVXSKESA-N 0 3 243.351 0.493 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cnc[nH]2)CCN1C ZINC000335746241 386866471 /nfs/dbraw/zinc/86/64/71/386866471.db2.gz MVPKDQMZLCNZTR-BDAKNGLRSA-N 0 3 222.292 0.622 20 0 BCADHN CCN(CC1(C(=O)OC)CC1)[C@H]1CCNC1=O ZINC000331563915 386870201 /nfs/dbraw/zinc/87/02/01/386870201.db2.gz XNTWXXPLEDDEHF-VIFPVBQESA-N 0 3 240.303 0.150 20 0 BCADHN NS(=O)(=O)C[C@@H]1CCCN1CCC1CC1 ZINC000331553550 386870699 /nfs/dbraw/zinc/87/06/99/386870699.db2.gz WCMZYENVUIIRCY-JTQLQIEISA-N 0 3 232.349 0.539 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000052009225 386872350 /nfs/dbraw/zinc/87/23/50/386872350.db2.gz NUMPUVUHFTUNNS-LPEHRKFASA-N 0 3 228.336 0.780 20 0 BCADHN CC(C)N1CCCN(Cc2nnnn2C)CC1 ZINC000331589187 386872944 /nfs/dbraw/zinc/87/29/44/386872944.db2.gz GKCWXXMQXPSFOJ-UHFFFAOYSA-N 0 3 238.339 0.126 20 0 BCADHN CNC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000334833197 386873136 /nfs/dbraw/zinc/87/31/36/386873136.db2.gz SCWLFIMIPHOGIF-ZJUUUORDSA-N 0 3 227.308 0.169 20 0 BCADHN C[C@@H]1[C@@H](NCc2cn(C)nn2)CCCN1C ZINC000336739201 386875053 /nfs/dbraw/zinc/87/50/53/386875053.db2.gz LAFPKBUFNPBGAW-KOLCDFICSA-N 0 3 223.324 0.387 20 0 BCADHN Cc1noc(CCCN(C)C2(CO)CC2)n1 ZINC000331640295 386877446 /nfs/dbraw/zinc/87/74/46/386877446.db2.gz JJTRWKDHZJZQHE-UHFFFAOYSA-N 0 3 225.292 0.767 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)CCN(C)C ZINC000353658580 386877713 /nfs/dbraw/zinc/87/77/13/386877713.db2.gz WZPZWOUVAQFNKD-SECBINFHSA-N 0 3 202.298 0.023 20 0 BCADHN CC[C@@H](CNC(=O)NCCN(C)C1CC1)OC ZINC000358013308 386878173 /nfs/dbraw/zinc/87/81/73/386878173.db2.gz VRHCOIRZQAOGIO-NSHDSACASA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@@H](CNC(=O)NC1CCN(C)CC1)OC ZINC000358003121 386879206 /nfs/dbraw/zinc/87/92/06/386879206.db2.gz MNTVOCBZBNWEEY-NSHDSACASA-N 0 3 243.351 0.805 20 0 BCADHN CC(=O)CSCC(=O)NC[C@H](C)CN(C)C ZINC000341323735 386881903 /nfs/dbraw/zinc/88/19/03/386881903.db2.gz QJPILTAVUHBMIR-VIFPVBQESA-N 0 3 246.376 0.623 20 0 BCADHN CC(C)CCC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358043802 386882997 /nfs/dbraw/zinc/88/29/97/386882997.db2.gz ASSSXIYUMDANTN-GFCCVEGCSA-N 0 3 228.336 0.605 20 0 BCADHN CCCCCC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358059608 386886253 /nfs/dbraw/zinc/88/62/53/386886253.db2.gz RXPXFARNUYRKBN-GFCCVEGCSA-N 0 3 228.336 0.750 20 0 BCADHN c1cn(CCN2CCC[C@@H](c3nnc[nH]3)C2)cn1 ZINC000331738914 386887559 /nfs/dbraw/zinc/88/75/59/386887559.db2.gz DMEIXSGHCDRFHW-LLVKDONJSA-N 0 3 246.318 0.881 20 0 BCADHN CS[C@@H](C)CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358082803 386889155 /nfs/dbraw/zinc/88/91/55/386889155.db2.gz UJOMRXFUJYOSLM-GXSJLCMTSA-N 0 3 246.376 0.311 20 0 BCADHN CCC1(C(=O)NC[C@@]2(O)CCN(C)C2)CCC1 ZINC000358076113 386889422 /nfs/dbraw/zinc/88/94/22/386889422.db2.gz USKHWTRPLMAIGY-ZDUSSCGKSA-N 0 3 240.347 0.750 20 0 BCADHN COC[C@@H]1CCN([C@H](C)C(=O)N(C)C)C1 ZINC000352887527 386889985 /nfs/dbraw/zinc/88/99/85/386889985.db2.gz YEXNTNWQCPBNTE-NXEZZACHSA-N 0 3 214.309 0.431 20 0 BCADHN Cc1occc1CN1CCC[C@](O)(CO)C1 ZINC000334843256 386890583 /nfs/dbraw/zinc/89/05/83/386890583.db2.gz OSRDVJYDRKXCPK-GFCCVEGCSA-N 0 3 225.288 0.907 20 0 BCADHN C[C@H]1[C@@H](NC(=O)N2CCC2)CCCN1C ZINC000341470887 386915994 /nfs/dbraw/zinc/91/59/94/386915994.db2.gz YZXXJLISPMQGIF-UWVGGRQHSA-N 0 3 211.309 0.884 20 0 BCADHN CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000331845073 386917165 /nfs/dbraw/zinc/91/71/65/386917165.db2.gz GOYRQSKXENESMU-GMXVVIOVSA-N 0 3 240.347 0.461 20 0 BCADHN Cc1cc(CN2CC[C@@H](c3nc[nH]n3)C2)nn1C ZINC000425355542 386918466 /nfs/dbraw/zinc/91/84/66/386918466.db2.gz MKGSSTWVJOREHN-SNVBAGLBSA-N 0 3 246.318 0.836 20 0 BCADHN Cc1cnc(CN2CC[C@@H](c3nc[nH]n3)C2)n1C ZINC000425355904 386918516 /nfs/dbraw/zinc/91/85/16/386918516.db2.gz MRTXONBJKWQULI-SNVBAGLBSA-N 0 3 246.318 0.836 20 0 BCADHN CN1CCC(C(=O)NCC(=O)C2CC2)CC1 ZINC000341565601 386919262 /nfs/dbraw/zinc/91/92/62/386919262.db2.gz PRGRJQFQODJYCH-UHFFFAOYSA-N 0 3 224.304 0.424 20 0 BCADHN CC(C(=O)NCC1(C)CC1)S(C)(=O)=O ZINC000331766150 386896987 /nfs/dbraw/zinc/89/69/87/386896987.db2.gz OXWGHAXVLFVARY-ZETCQYMHSA-N 0 3 219.306 0.336 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CC[C@@H](O)C(C)(C)C1 ZINC000303799165 386897129 /nfs/dbraw/zinc/89/71/29/386897129.db2.gz ZMZOSRQSSDMHEG-VHSXEESVSA-N 0 3 228.336 0.556 20 0 BCADHN CC(C)[C@H]1CCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000335761355 386900323 /nfs/dbraw/zinc/90/03/23/386900323.db2.gz QTSATSLULVDREL-ZJUUUORDSA-N 0 3 247.360 0.924 20 0 BCADHN CO[C@H](C)C(=O)Nc1ccnn1CCN(C)C ZINC000293914140 386901778 /nfs/dbraw/zinc/90/17/78/386901778.db2.gz AOVSUAJSDOHYJW-SECBINFHSA-N 0 3 240.307 0.418 20 0 BCADHN Cc1nnc(NC(=O)[C@@H]2CN(C)C[C@H]2C)s1 ZINC000341450657 386905936 /nfs/dbraw/zinc/90/59/36/386905936.db2.gz INDBWDYMOYGNTF-HTRCEHHLSA-N 0 3 240.332 0.983 20 0 BCADHN C[C@H](O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000331790882 386906039 /nfs/dbraw/zinc/90/60/39/386906039.db2.gz SINNYWZWSJZZAD-VGMNWLOBSA-N 0 3 212.293 0.109 20 0 BCADHN C[C@@H](CNC(=O)c1cc(C=O)c[nH]1)CN(C)C ZINC000293928617 386906194 /nfs/dbraw/zinc/90/61/94/386906194.db2.gz TWMCIHYLZUOAQF-VIFPVBQESA-N 0 3 237.303 0.755 20 0 BCADHN CN(C)C1CN(c2nc(N)c3ccccc3n2)C1 ZINC000302137290 386906464 /nfs/dbraw/zinc/90/64/64/386906464.db2.gz NDQHOLHSRMURSU-UHFFFAOYSA-N 0 3 243.314 0.962 20 0 BCADHN CO[C@@H](CNC(=O)CN(C)C(C)C)C1CC1 ZINC000358175519 386906553 /nfs/dbraw/zinc/90/65/53/386906553.db2.gz RTZBGAUPSURZTN-NSHDSACASA-N 0 3 228.336 0.868 20 0 BCADHN CCCCNC(=O)CCN1CCN(C)C[C@@H]1C ZINC000341453402 386908718 /nfs/dbraw/zinc/90/87/18/386908718.db2.gz CMSCULXOYKXIQF-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN C[C@H](NC[C@]1(O)CCN(C)C1)c1cnccn1 ZINC000330881644 386908689 /nfs/dbraw/zinc/90/86/89/386908689.db2.gz NVLJSYRZOPHVCG-CMPLNLGQSA-N 0 3 236.319 0.194 20 0 BCADHN C[C@H](NC[C@@]1(O)CCN(C)C1)c1cnccn1 ZINC000330881645 386909012 /nfs/dbraw/zinc/90/90/12/386909012.db2.gz NVLJSYRZOPHVCG-JQWIXIFHSA-N 0 3 236.319 0.194 20 0 BCADHN CN(C)CCNc1nccn2c1nnc2C1CC1 ZINC000302204961 386912784 /nfs/dbraw/zinc/91/27/84/386912784.db2.gz JRBGRAYKELWBCT-UHFFFAOYSA-N 0 3 246.318 0.975 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CC[C@@H](C(N)=O)C1 ZINC000334860682 386912892 /nfs/dbraw/zinc/91/28/92/386912892.db2.gz DTDANTYWJNWUFD-RKDXNWHRSA-N 0 3 225.292 0.464 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CC[C@H](C(N)=O)C1 ZINC000334860680 386913178 /nfs/dbraw/zinc/91/31/78/386913178.db2.gz DTDANTYWJNWUFD-DTWKUNHWSA-N 0 3 225.292 0.464 20 0 BCADHN C[C@H](CC(N)=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000358198970 386913426 /nfs/dbraw/zinc/91/34/26/386913426.db2.gz ZVBPDBFXLWVYJP-BDAKNGLRSA-N 0 3 241.335 0.239 20 0 BCADHN CO[C@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1N ZINC000331876119 386920419 /nfs/dbraw/zinc/92/04/19/386920419.db2.gz KMNXUBGHBOTJSF-IMSYWVGJSA-N 0 3 212.293 0.265 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)C1CCCCC1 ZINC000331897240 386921994 /nfs/dbraw/zinc/92/19/94/386921994.db2.gz RVVSGHQLZMMROP-HBNTYKKESA-N 0 3 226.320 0.391 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)NC1CCCCCC1 ZINC000331908355 386923495 /nfs/dbraw/zinc/92/34/95/386923495.db2.gz SGEFQSVDCDWLSV-SECBINFHSA-N 0 3 241.335 0.289 20 0 BCADHN CCN(CCN1C(=O)N[C@H](C)C1=O)C1CC1 ZINC000331966936 386929256 /nfs/dbraw/zinc/92/92/56/386929256.db2.gz VUPFKMWTGMNNAN-MRVPVSSYSA-N 0 3 225.292 0.411 20 0 BCADHN CCOC[C@@H]1CCCN([C@@H]2CCN(C)C2=O)C1 ZINC000116281109 386929825 /nfs/dbraw/zinc/92/98/25/386929825.db2.gz VCFCPSKLDUMSAZ-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@H]1C[C@@H](NCc2cnnn2C)C12CCC2 ZINC000308412534 386931186 /nfs/dbraw/zinc/93/11/86/386931186.db2.gz ICIKZFIGNOZAMB-MNOVXSKESA-N 0 3 236.319 0.862 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@]2(CCOC2)C1 ZINC000334818715 386947594 /nfs/dbraw/zinc/94/75/94/386947594.db2.gz DEGAZPLTPTUPBZ-ZDUSSCGKSA-N 0 3 240.347 0.967 20 0 BCADHN CN(C)CCN(C)C(=O)c1csc(=O)[nH]1 ZINC000330972183 386932460 /nfs/dbraw/zinc/93/24/60/386932460.db2.gz CYHISKMRGPQXNT-UHFFFAOYSA-N 0 3 229.305 0.482 20 0 BCADHN CC(C)[C@@H](O)CN1CCO[C@]2(CCCOC2)C1 ZINC000368040174 386933361 /nfs/dbraw/zinc/93/33/61/386933361.db2.gz HKBXZBYCWGTTSC-QWHCGFSZSA-N 0 3 243.347 0.885 20 0 BCADHN Cc1nc(CN[C@@]2(C)CCO[C@H]2C)n[nH]1 ZINC000336763004 386934293 /nfs/dbraw/zinc/93/42/93/386934293.db2.gz ORLYIEOCFPDTBT-XVKPBYJWSA-N 0 3 210.281 0.770 20 0 BCADHN c1nc2ncnc(N3CCN4CCC3CC4)c2[nH]1 ZINC000302787875 386936609 /nfs/dbraw/zinc/93/66/09/386936609.db2.gz XBMOJBSOUVEVDC-UHFFFAOYSA-N 0 3 244.302 0.637 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](COC)OC)N(C)C ZINC000358375815 386945534 /nfs/dbraw/zinc/94/55/34/386945534.db2.gz LDCHWXKGAFPYJM-ZJUUUORDSA-N 0 3 232.324 0.104 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@H]1CC[C@@H](CO)O1 ZINC000645471447 386952370 /nfs/dbraw/zinc/95/23/70/386952370.db2.gz RAZZREHKELQJCO-GDPRMGEGSA-N 0 3 239.319 0.909 20 0 BCADHN CC(C)[C@@H](CO)C(=O)NC1(CN(C)C)CCC1 ZINC000332064751 386953999 /nfs/dbraw/zinc/95/39/99/386953999.db2.gz RFCVHZJFSHXXCN-LLVKDONJSA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC([C@@H]2CCOC2)CC1 ZINC000368262318 386955444 /nfs/dbraw/zinc/95/54/44/386955444.db2.gz GHFZKADEBKDALA-NEPJUHHUSA-N 0 3 240.347 0.999 20 0 BCADHN CC(C)[C@@H](CO)CN[C@H](C)CS(C)(=O)=O ZINC000336763354 386956227 /nfs/dbraw/zinc/95/62/27/386956227.db2.gz PDIHOEMLITWOOO-NXEZZACHSA-N 0 3 237.365 0.274 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@@H]1CCCN(C)C1=O ZINC000336763314 386956608 /nfs/dbraw/zinc/95/66/08/386956608.db2.gz OZVVVQHPIRJWDQ-LPEHRKFASA-N 0 3 212.293 0.374 20 0 BCADHN CCN(CC(=O)NC(N)=O)C1CC(C)(C)C1 ZINC000332074538 386956927 /nfs/dbraw/zinc/95/69/27/386956927.db2.gz WFXGNPFBLCALMX-UHFFFAOYSA-N 0 3 227.308 0.692 20 0 BCADHN C[C@@H](CNC(=O)N1CC(C(C)(C)O)C1)N(C)C ZINC000332071706 386956987 /nfs/dbraw/zinc/95/69/87/386956987.db2.gz UZIRAUICIBCABU-VIFPVBQESA-N 0 3 243.351 0.349 20 0 BCADHN CN(C)CCNC(=O)[C@](C)(N)c1ccccc1 ZINC000052880974 386961501 /nfs/dbraw/zinc/96/15/01/386961501.db2.gz QJGULEUMTBGSQB-CYBMUJFWSA-N 0 3 235.331 0.538 20 0 BCADHN CC[C@H](NC(=O)[C@@H]1C[C@@H]1N)C1CCOCC1 ZINC000332119344 386961695 /nfs/dbraw/zinc/96/16/95/386961695.db2.gz HFLWXHFCEVGSBW-VWYCJHECSA-N 0 3 226.320 0.655 20 0 BCADHN CCCNC(=O)CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398715239 386963718 /nfs/dbraw/zinc/96/37/18/386963718.db2.gz QDHNODSCSLFNQB-TUAOUCFPSA-N 0 3 240.347 0.605 20 0 BCADHN CS[C@H]1CC[C@@H]1NCC(=O)N1CCOCC1 ZINC000425354401 386963721 /nfs/dbraw/zinc/96/37/21/386963721.db2.gz NSHCICXKMMQZEA-UWVGGRQHSA-N 0 3 244.360 0.329 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1C[C@@H](O)C[C@H]1C ZINC000358492173 386965008 /nfs/dbraw/zinc/96/50/08/386965008.db2.gz GCOSXMVIAYHVBF-BBBLOLIVSA-N 0 3 229.324 0.101 20 0 BCADHN Cn1cc2c(n1)CCC[C@H]2N[C@@H]1CCC(=O)NC1 ZINC000358756219 387007503 /nfs/dbraw/zinc/00/75/03/387007503.db2.gz URDRSZJSDKRMRS-MWLCHTKSSA-N 0 3 248.330 0.666 20 0 BCADHN CN1CCC[C@@H](N2CC[C@H](O)C(C)(C)C2)C1=O ZINC000526087928 386965363 /nfs/dbraw/zinc/96/53/63/386965363.db2.gz URYKBRAYXQEXLD-MNOVXSKESA-N 0 3 240.347 0.700 20 0 BCADHN CO[C@H]1CCCN(C(=O)N[C@H](C)CN(C)C)C1 ZINC000358499183 386965487 /nfs/dbraw/zinc/96/54/87/386965487.db2.gz LIXGWZTURUCSFO-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@]1(CNC(=O)[C@@H]2C[C@@H]2N)CCCC[C@H]1O ZINC000332187520 386965507 /nfs/dbraw/zinc/96/55/07/386965507.db2.gz YHTMLLPCWNZSGW-KLBPJQLPSA-N 0 3 226.320 0.391 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@]1(C)CCOC1 ZINC000358494524 386965969 /nfs/dbraw/zinc/96/59/69/386965969.db2.gz BNAAQPWKUBAYRB-MWLCHTKSSA-N 0 3 229.324 0.415 20 0 BCADHN CO[C@H](C)CN(C(=O)[C@@H](CN)OC)C(C)C ZINC000352915389 386966425 /nfs/dbraw/zinc/96/64/25/386966425.db2.gz OQWRKVFAILRXTE-NXEZZACHSA-N 0 3 232.324 0.232 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(C)C[C@@H]1CCCO1 ZINC000358495313 386966980 /nfs/dbraw/zinc/96/69/80/386966980.db2.gz HXLCBQMPYMNHJK-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN CC[C@]1(O)CCN(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000358508529 386967918 /nfs/dbraw/zinc/96/79/18/386967918.db2.gz VBYHELVGOMNYGP-JQWIXIFHSA-N 0 3 243.351 0.493 20 0 BCADHN C[C@@H]1[C@H](CO)CCCN1CC(=O)NC1CC1 ZINC000332219100 386968092 /nfs/dbraw/zinc/96/80/92/386968092.db2.gz XOVFHIJAGKJUAD-ZJUUUORDSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccnn1C ZINC000332282673 386968365 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209.293 0.648 20 0 BCADHN CC(C)[C@@H](O)C[N@@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000332420984 386979289 /nfs/dbraw/zinc/97/92/89/386979289.db2.gz SCYDULLXOXATRD-ZJUUUORDSA-N 0 3 224.308 0.611 20 0 BCADHN CC(C)[C@@H](O)C[N@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000332420984 386979294 /nfs/dbraw/zinc/97/92/94/386979294.db2.gz SCYDULLXOXATRD-ZJUUUORDSA-N 0 3 224.308 0.611 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)O ZINC000332436898 386979490 /nfs/dbraw/zinc/97/94/90/386979490.db2.gz CPCYDZRPPKJBBR-NXEZZACHSA-N 0 3 216.325 0.602 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC000331166358 386980563 /nfs/dbraw/zinc/98/05/63/386980563.db2.gz TWPKGKHTTDZUGG-VIFPVBQESA-N 0 3 227.308 0.854 20 0 BCADHN C[C@@H]1OCC[C@@H]1N(CCO)CCC(C)(C)O ZINC000331130974 386981648 /nfs/dbraw/zinc/98/16/48/386981648.db2.gz BJEFIWCWAKPTBC-QWRGUYRKSA-N 0 3 231.336 0.619 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N2CC(CO)C2)CCN1C ZINC000332452172 386981885 /nfs/dbraw/zinc/98/18/85/386981885.db2.gz NLXWTVISKZYRRH-MWLCHTKSSA-N 0 3 241.335 0.103 20 0 BCADHN C[C@@H]1OCC[C@H]1N(CCO)CCC(C)(C)O ZINC000331130975 386982871 /nfs/dbraw/zinc/98/28/71/386982871.db2.gz BJEFIWCWAKPTBC-WDEREUQCSA-N 0 3 231.336 0.619 20 0 BCADHN CN(C[C@H]1CCOC1)C(=O)C(N)C(F)(F)F ZINC000352998559 386986044 /nfs/dbraw/zinc/98/60/44/386986044.db2.gz GPZMOEKDFRUSQN-RNFRBKRXSA-N 0 3 240.225 0.371 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@](C)(O)C1 ZINC000514601079 387008307 /nfs/dbraw/zinc/00/83/07/387008307.db2.gz XMCZEOYIGMVSSO-NSHDSACASA-N 0 3 229.324 0.151 20 0 BCADHN CCO[C@H](CCNC(=O)[C@H](CN)OC)C(C)C ZINC000353008578 386987618 /nfs/dbraw/zinc/98/76/18/386987618.db2.gz DFFMXSDVRAENKV-MNOVXSKESA-N 0 3 246.351 0.528 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000368591486 386988535 /nfs/dbraw/zinc/98/85/35/386988535.db2.gz MLDRZMRHVQZGSF-VWYCJHECSA-N 0 3 226.320 0.574 20 0 BCADHN CN(C)CC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000368592156 386989117 /nfs/dbraw/zinc/98/91/17/386989117.db2.gz PMQFJOGHOPYBTP-MNOVXSKESA-N 0 3 225.336 0.101 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000353010797 386989647 /nfs/dbraw/zinc/98/96/47/386989647.db2.gz JPFSKCYDZBIFEC-GWOFURMSSA-N 0 3 242.319 0.034 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCS[C@H](C(C)C)C1 ZINC000353015773 386990655 /nfs/dbraw/zinc/99/06/55/386990655.db2.gz VEFGLJDRJGMOTR-UWVGGRQHSA-N 0 3 246.376 0.560 20 0 BCADHN CC[C@@H](NC(=O)CN(C)C(C)C)[C@H](C)O ZINC000332524468 386991036 /nfs/dbraw/zinc/99/10/36/386991036.db2.gz UFZXKHLUASTMNX-VHSXEESVSA-N 0 3 216.325 0.602 20 0 BCADHN CC[C@@H](NC(=O)C1CCN(C)CC1)C(C)(C)O ZINC000358631985 386991542 /nfs/dbraw/zinc/99/15/42/386991542.db2.gz MWYDKVQTGKKESO-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)Cc3ccoc3)C[C@@H]21 ZINC000334916805 386992112 /nfs/dbraw/zinc/99/21/12/386992112.db2.gz GLSKTEWVGGEHGO-NEPJUHHUSA-N 0 3 234.299 0.985 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc[nH]c1=O ZINC000331235553 386996883 /nfs/dbraw/zinc/99/68/83/386996883.db2.gz FFJODBMSUQMBDF-JTQLQIEISA-N 0 3 249.314 0.953 20 0 BCADHN Cn1cc([C@H](CO)NCC[C@H]2CCOC2)cn1 ZINC000331247046 386998963 /nfs/dbraw/zinc/99/89/63/386998963.db2.gz SPQONLPWSHYFEM-JQWIXIFHSA-N 0 3 239.319 0.470 20 0 BCADHN Cn1cc2c(n1)CCC[C@H]2N[C@H]1CCC(=O)NC1 ZINC000358756213 387008682 /nfs/dbraw/zinc/00/86/82/387008682.db2.gz URDRSZJSDKRMRS-GXSJLCMTSA-N 0 3 248.330 0.666 20 0 BCADHN Cc1ccnc(C(=O)NC2(CN(C)C)CCC2)n1 ZINC000341946903 387000865 /nfs/dbraw/zinc/00/08/65/387000865.db2.gz LTAKZXNLBVMMEX-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN CN(CCO[C@@H]1CCCCO1)C1(CO)CC1 ZINC000353033616 387002030 /nfs/dbraw/zinc/00/20/30/387002030.db2.gz ZEHPBXJNBQCLSD-LLVKDONJSA-N 0 3 229.320 0.986 20 0 BCADHN CN(CCO[C@H]1CCCCO1)C1(CO)CC1 ZINC000353033617 387002208 /nfs/dbraw/zinc/00/22/08/387002208.db2.gz ZEHPBXJNBQCLSD-NSHDSACASA-N 0 3 229.320 0.986 20 0 BCADHN CCN(C(=O)C12CCCN1CCC2)[C@H](C)CO ZINC000358749977 387002242 /nfs/dbraw/zinc/00/22/42/387002242.db2.gz FBUXQZVIZIEZTN-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN CNC(=O)[C@@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000248616328 387004401 /nfs/dbraw/zinc/00/44/01/387004401.db2.gz KJXMZSFEVHQCLG-WDEREUQCSA-N 0 3 248.330 0.996 20 0 BCADHN COC(=O)[C@@H]1CCCN(C[C@](C)(O)C(C)=O)C1 ZINC000331324688 387004639 /nfs/dbraw/zinc/00/46/39/387004639.db2.gz MEZXQKPCHKXVRK-PWSUYJOCSA-N 0 3 243.303 0.211 20 0 BCADHN CC(C)N(C)C(=O)CN1C[C@@H](C)C[C@H](CO)C1 ZINC000398849909 387008903 /nfs/dbraw/zinc/00/89/03/387008903.db2.gz USJNRGJMBIVUHO-RYUDHWBXSA-N 0 3 242.363 0.804 20 0 BCADHN C[C@@H](CN1CCOCC1)N1C[C@@H](O)C2(CC2)C1 ZINC000368782541 387009000 /nfs/dbraw/zinc/00/90/00/387009000.db2.gz BWKISLLWPYTVLN-NWDGAFQWSA-N 0 3 240.347 0.164 20 0 BCADHN Cc1cc(CC(=O)NC[C@@H]2C[C@H](F)CN2)no1 ZINC000368178468 386948486 /nfs/dbraw/zinc/94/84/86/386948486.db2.gz KFZRQCIAIOYKDP-WPRPVWTQSA-N 0 3 241.266 0.342 20 0 BCADHN CCc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)[nH]n1 ZINC000368184390 386948519 /nfs/dbraw/zinc/94/85/19/386948519.db2.gz JWXGAYZJCURRQI-CBAPKCEASA-N 0 3 240.282 0.402 20 0 BCADHN CO[C@H](CN1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000425380218 387031582 /nfs/dbraw/zinc/03/15/82/387031582.db2.gz CXWJVNSELLSQMW-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN COC(=O)CC1CC(NCC(=O)NC2CC2)C1 ZINC000425378834 387032302 /nfs/dbraw/zinc/03/23/02/387032302.db2.gz KERJKTZXLPXTHO-UHFFFAOYSA-N 0 3 240.303 0.196 20 0 BCADHN CS[C@@H]1CC[C@@H]1NCC(=O)NC1CC1 ZINC000425382101 387034562 /nfs/dbraw/zinc/03/45/62/387034562.db2.gz NPTDXSKNJIQZGI-DTWKUNHWSA-N 0 3 214.334 0.749 20 0 BCADHN Cn1nncc1CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333448674 387036008 /nfs/dbraw/zinc/03/60/08/387036008.db2.gz YAKHYZPOMJNWLW-JBLDHEPKSA-N 0 3 236.319 0.408 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000398999089 387036492 /nfs/dbraw/zinc/03/64/92/387036492.db2.gz BQQNGLFRWOFPNB-XCBNKYQSSA-N 0 3 228.292 0.182 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@@H](C)CS(C)(=O)=O ZINC000191648324 387039827 /nfs/dbraw/zinc/03/98/27/387039827.db2.gz IJIRSWKNXFJHNC-CIUDSAMLSA-N 0 3 223.338 0.433 20 0 BCADHN C/C=C\C[C@H](CO)NCc1cncn1C ZINC000336764070 387041719 /nfs/dbraw/zinc/04/17/19/387041719.db2.gz PWDJLMIJPASDJM-UMBAGQNISA-N 0 3 209.293 0.837 20 0 BCADHN COC1(C(=O)NC[C@@H]2CCCN2C)CCC1 ZINC000359042799 387049728 /nfs/dbraw/zinc/04/97/28/387049728.db2.gz PUIUREALCKISKT-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](N)C1CCC1)C(=O)OC ZINC000399063707 387050109 /nfs/dbraw/zinc/05/01/09/387050109.db2.gz KDBIRTFZFDGJDL-BDAKNGLRSA-N 0 3 228.292 0.182 20 0 BCADHN CN(C(=O)CN1C[C@H]2CCC[C@@H](C1)N2)C1CC1 ZINC000334967250 387050504 /nfs/dbraw/zinc/05/05/04/387050504.db2.gz NUDIMLSDXSZDBW-PHIMTYICSA-N 0 3 237.347 0.434 20 0 BCADHN CC[C@H](NC(=O)[C@H](N)C1CCC1)C(=O)OC ZINC000399063716 387051728 /nfs/dbraw/zinc/05/17/28/387051728.db2.gz KDBIRTFZFDGJDL-DTWKUNHWSA-N 0 3 228.292 0.182 20 0 BCADHN COC(=O)[C@H](C)N1CCNC[C@](C)(F)C1 ZINC000334969287 387052160 /nfs/dbraw/zinc/05/21/60/387052160.db2.gz BZSGLHWZIVIGPJ-WPRPVWTQSA-N 0 3 218.272 0.181 20 0 BCADHN CCC[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000333707920 387052332 /nfs/dbraw/zinc/05/23/32/387052332.db2.gz FCTQGAGGOINKIA-OUAUKWLOSA-N 0 3 241.335 0.463 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCCC[C@H]1CO ZINC000305231164 387052628 /nfs/dbraw/zinc/05/26/28/387052628.db2.gz YFXFHFVJXBDWDC-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN COC[C@H](C)N1CCNC[C@@](C)(F)C1 ZINC000334969267 387053568 /nfs/dbraw/zinc/05/35/68/387053568.db2.gz BLGALAKQSLDRTL-VHSXEESVSA-N 0 3 204.289 0.655 20 0 BCADHN CC[C@H]1CCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000334970210 387054255 /nfs/dbraw/zinc/05/42/55/387054255.db2.gz SSYPIXDPJQPFIF-WDEREUQCSA-N 0 3 241.335 0.416 20 0 BCADHN CCOC[C@@H](C)NCc1n[nH]c(CC)n1 ZINC000392360584 387056071 /nfs/dbraw/zinc/05/60/71/387056071.db2.gz XGKWASUKVUXADL-MRVPVSSYSA-N 0 3 212.297 0.882 20 0 BCADHN CC(C)(C)[C@H](O)CNC(=O)C1(N)CCOCC1 ZINC000324395627 387056931 /nfs/dbraw/zinc/05/69/31/387056931.db2.gz ZUXCVRVUGHCVJE-SECBINFHSA-N 0 3 244.335 0.018 20 0 BCADHN C[C@H]1CCN(C(=O)N2CCCNCC2)C1 ZINC000334971487 387057241 /nfs/dbraw/zinc/05/72/41/387057241.db2.gz HDQYRZJLDZPLBV-JTQLQIEISA-N 0 3 211.309 0.744 20 0 BCADHN CCC[C@H](C(=O)N[C@H](C)CO)N(C)C ZINC000305498882 387057438 /nfs/dbraw/zinc/05/74/38/387057438.db2.gz KDRUCWYUNAYTQB-RKDXNWHRSA-N 0 3 202.298 0.214 20 0 BCADHN C[C@H](O)CCNC(=O)NCCN(C)C1CC1 ZINC000359152467 387061074 /nfs/dbraw/zinc/06/10/74/387061074.db2.gz ZYCYHURCQJPRGS-VIFPVBQESA-N 0 3 229.324 0.151 20 0 BCADHN C[C@@H](CNC(=O)N(C)CCO)N(C)C1CC1 ZINC000305728673 387061657 /nfs/dbraw/zinc/06/16/57/387061657.db2.gz MNTRWJNLWKREJC-VIFPVBQESA-N 0 3 229.324 0.103 20 0 BCADHN COC(=O)C1(CNCc2cncn2C)CC1 ZINC000188669058 387062811 /nfs/dbraw/zinc/06/28/11/387062811.db2.gz YWUIHRGDWALTDZ-UHFFFAOYSA-N 0 3 223.276 0.463 20 0 BCADHN CCc1cc(=O)[n-]c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000333859769 387063473 /nfs/dbraw/zinc/06/34/73/387063473.db2.gz POCAUMLCQXTVOV-KOLCDFICSA-N 0 3 248.330 0.538 20 0 BCADHN CN(C)CCNC(=O)c1cc(CN(C)C)on1 ZINC000359179453 387065112 /nfs/dbraw/zinc/06/51/12/387065112.db2.gz QUCSRJYGAPYROO-UHFFFAOYSA-N 0 3 240.307 0.028 20 0 BCADHN CC(=O)CCCC(=O)NC[C@H]1CCN(C)C1 ZINC000186007600 387067474 /nfs/dbraw/zinc/06/74/74/387067474.db2.gz XJTJULOUIJVEBS-LLVKDONJSA-N 0 3 226.320 0.814 20 0 BCADHN C[C@H](CN1CCOCC1)N1C[C@@H](O)C2(CC2)C1 ZINC000368782543 387009318 /nfs/dbraw/zinc/00/93/18/387009318.db2.gz BWKISLLWPYTVLN-VXGBXAGGSA-N 0 3 240.347 0.164 20 0 BCADHN CSC[C@@H](O)CN1C[C@@H](O)C2(CC2)C1 ZINC000368783513 387010699 /nfs/dbraw/zinc/01/06/99/387010699.db2.gz NEGRHOYTEWQVGK-DTWKUNHWSA-N 0 3 217.334 0.167 20 0 BCADHN C[C@H](CO)CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000331307304 387012617 /nfs/dbraw/zinc/01/26/17/387012617.db2.gz FGSDLJUFLDSTAM-DCAQKATOSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H]1COc2ccccc2C1 ZINC000267289608 387016761 /nfs/dbraw/zinc/01/67/61/387016761.db2.gz XMFJKMYEQVYYEW-KOLCDFICSA-N 0 3 234.299 0.844 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)[C@@H](C)CN1 ZINC000237475753 387017747 /nfs/dbraw/zinc/01/77/47/387017747.db2.gz MSQVUEWPSYSMBC-ZJUUUORDSA-N 0 3 249.314 0.208 20 0 BCADHN CC(C)N(C)C(=O)CN[C@H]1CCC[C@@]1(C)CO ZINC000331360628 387018331 /nfs/dbraw/zinc/01/83/31/387018331.db2.gz YBEZTOLKUGIKIM-AAEUAGOBSA-N 0 3 242.363 0.994 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCCC1(O)CCC1 ZINC000333125248 387018809 /nfs/dbraw/zinc/01/88/09/387018809.db2.gz IWJCUGSTTRRRBX-VHSXEESVSA-N 0 3 215.293 0.295 20 0 BCADHN CN(C)c1ncc(CN[C@H]2C[C@@H](O)C2)n1C ZINC000425366856 387023885 /nfs/dbraw/zinc/02/38/85/387023885.db2.gz GRJMUYBYKZNETR-WAAGHKOSSA-N 0 3 224.308 0.099 20 0 BCADHN CCN(C(=O)CC1CCN(C)CC1)[C@H](C)CO ZINC000358854752 387024203 /nfs/dbraw/zinc/02/42/03/387024203.db2.gz QPCZMOFNJBIUCV-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1CC[C@H]1SC ZINC000425369809 387026120 /nfs/dbraw/zinc/02/61/20/387026120.db2.gz MQYKGAIJUMWNHC-UTINFBMNSA-N 0 3 217.334 0.884 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccnn1C ZINC000334885127 387027631 /nfs/dbraw/zinc/02/76/31/387027631.db2.gz CPGHGIGPLVPEDR-WDEREUQCSA-N 0 3 222.336 0.945 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCCN(C)CC2)C1 ZINC000519176548 387028026 /nfs/dbraw/zinc/02/80/26/387028026.db2.gz BBQWTNHTMVDMRN-GFCCVEGCSA-N 0 3 239.363 0.492 20 0 BCADHN CS[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC000336237012 387073597 /nfs/dbraw/zinc/07/35/97/387073597.db2.gz DWYLTJVVEZWMTQ-YUMQZZPRSA-N 0 3 200.307 0.312 20 0 BCADHN COCCNCCNC(=O)N[C@H]1CC[C@H](C)C1 ZINC000418044296 387075522 /nfs/dbraw/zinc/07/55/22/387075522.db2.gz ATDBTZRINVYDAJ-QWRGUYRKSA-N 0 3 243.351 0.710 20 0 BCADHN OC[C@H]1CSCCN1C[C@@H]1CCCO1 ZINC000334988378 387076937 /nfs/dbraw/zinc/07/69/37/387076937.db2.gz QDAUHULNGSNRPG-UWVGGRQHSA-N 0 3 217.334 0.575 20 0 BCADHN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1cccnc1 ZINC000418121208 387077555 /nfs/dbraw/zinc/07/75/55/387077555.db2.gz WZQUUWKSPLYHIC-QWHCGFSZSA-N 0 3 249.358 0.969 20 0 BCADHN O=C(N[C@H]1CCOC1)N[C@H]1CCN(C2CC2)C1 ZINC000228152936 387079104 /nfs/dbraw/zinc/07/91/04/387079104.db2.gz RDJWGQUTFPBMEH-UWVGGRQHSA-N 0 3 239.319 0.311 20 0 BCADHN CCCC[C@H](N)C(=O)N(C)CCC(=O)NC ZINC000228326572 387082065 /nfs/dbraw/zinc/08/20/65/387082065.db2.gz KIRAEFRDAPMFJB-VIFPVBQESA-N 0 3 229.324 0.098 20 0 BCADHN CC[C@@H](C(=O)N1CCN2CCC1CC2)[C@@H](C)O ZINC000334992947 387082117 /nfs/dbraw/zinc/08/21/17/387082117.db2.gz RZEAFVIEIDVQLN-ZYHUDNBSSA-N 0 3 240.347 0.700 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)CC2(O)CCC2)C1 ZINC000336246154 387082292 /nfs/dbraw/zinc/08/22/92/387082292.db2.gz HEQKJKFTGGKERN-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN O=S(=O)(N[C@H]1CCCNC1)c1cccnc1 ZINC000070950064 387084752 /nfs/dbraw/zinc/08/47/52/387084752.db2.gz YYLBFDZHRDLHQD-VIFPVBQESA-N 0 3 241.316 0.112 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CN1CCCCC1=O ZINC000330687480 387085413 /nfs/dbraw/zinc/08/54/13/387085413.db2.gz WDXOZRLOUWUYMI-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1C[C@]12CCOC2 ZINC000359332143 387085556 /nfs/dbraw/zinc/08/55/56/387085556.db2.gz ODYKDFFXGTWKFM-JQWIXIFHSA-N 0 3 226.320 0.433 20 0 BCADHN COCC[C@H](C)NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000417426503 387088158 /nfs/dbraw/zinc/08/81/58/387088158.db2.gz NRSWJPKNNWRXKR-HBNTYKKESA-N 0 3 243.351 0.803 20 0 BCADHN CCOC(=O)c1coc(N(C)CCN(C)C)n1 ZINC000228313294 387089247 /nfs/dbraw/zinc/08/92/47/387089247.db2.gz CXONZVOBYZJDGA-UHFFFAOYSA-N 0 3 241.291 0.849 20 0 BCADHN COC(=O)CCN1CCC2(CCOC2=O)CC1 ZINC000370110264 387090229 /nfs/dbraw/zinc/09/02/29/387090229.db2.gz HSAOXPKCVXDJPG-UHFFFAOYSA-N 0 3 241.287 0.579 20 0 BCADHN CC(C)(C)NC(=O)CN1CCNC[C@@](C)(F)C1 ZINC000334998989 387091783 /nfs/dbraw/zinc/09/17/83/387091783.db2.gz YNRXIAVRPAIBFE-GFCCVEGCSA-N 0 3 245.342 0.535 20 0 BCADHN CC(C)(C)NC(=O)CN1CCNC[C@](C)(F)C1 ZINC000334998990 387092921 /nfs/dbraw/zinc/09/29/21/387092921.db2.gz YNRXIAVRPAIBFE-LBPRGKRZSA-N 0 3 245.342 0.535 20 0 BCADHN COCCN(C)CCNC(=O)[C@H](C)CSC ZINC000066928129 387093112 /nfs/dbraw/zinc/09/31/12/387093112.db2.gz PLGKEUYSTBTHQZ-SNVBAGLBSA-N 0 3 248.392 0.680 20 0 BCADHN CN(CC(C)(C)O)C(=O)NC1CCN(C)CC1 ZINC000119092320 387094658 /nfs/dbraw/zinc/09/46/58/387094658.db2.gz SKXYYSFOBPXZMT-UHFFFAOYSA-N 0 3 243.351 0.493 20 0 BCADHN CO[C@H](CN)C(=O)N1CCCCC(C)(C)C1 ZINC000335002213 387095292 /nfs/dbraw/zinc/09/52/92/387095292.db2.gz LVGFBUNFGJCICC-SNVBAGLBSA-N 0 3 228.336 0.999 20 0 BCADHN CO[C@H](CNCc1cnnn1C)CC(C)C ZINC000418088817 387096592 /nfs/dbraw/zinc/09/65/92/387096592.db2.gz AMURFAFOBNBJNY-NSHDSACASA-N 0 3 226.324 0.966 20 0 BCADHN CC(C)CCN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000370252883 387097196 /nfs/dbraw/zinc/09/71/96/387097196.db2.gz PWJFKDRSTVWHRI-SNVBAGLBSA-N 0 3 234.365 0.785 20 0 BCADHN CC[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)N(C)C ZINC000186764283 387131345 /nfs/dbraw/zinc/13/13/45/387131345.db2.gz HXJJMZZILBCUDG-LBPRGKRZSA-N 0 3 241.379 0.879 20 0 BCADHN CC[C@@H](C(=O)N(C)CCN(C)C1CC1)N(C)C ZINC000186764283 387131350 /nfs/dbraw/zinc/13/13/50/387131350.db2.gz HXJJMZZILBCUDG-LBPRGKRZSA-N 0 3 241.379 0.879 20 0 BCADHN CCCN[C@H](C)C(=O)Nc1c[nH]ccc1=O ZINC000645535336 387131586 /nfs/dbraw/zinc/13/15/86/387131586.db2.gz PPUMHZSPJVRFIB-MRVPVSSYSA-N 0 3 223.276 0.702 20 0 BCADHN CCN(C)CCNC(=O)NCC1(C)COC1 ZINC000112746510 387109889 /nfs/dbraw/zinc/10/98/89/387109889.db2.gz TWVKMRDNCMSZAJ-UHFFFAOYSA-N 0 3 229.324 0.274 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000370368161 387112357 /nfs/dbraw/zinc/11/23/57/387112357.db2.gz RZFRVRXUXOOUHI-SRVKXCTJSA-N 0 3 240.347 0.999 20 0 BCADHN CNCC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000335024604 387115997 /nfs/dbraw/zinc/11/59/97/387115997.db2.gz ASRWTBOBQORPPA-ZJUUUORDSA-N 0 3 228.336 0.461 20 0 BCADHN O=C(NCCF)[C@@H]1CCCN1C1CCOCC1 ZINC000370472247 387118382 /nfs/dbraw/zinc/11/83/82/387118382.db2.gz WHTLFFGNCIWZEC-NSHDSACASA-N 0 3 244.310 0.716 20 0 BCADHN CC(C)(C)[C@H]1CCN(C(=O)C(C)(C)N)C[C@H]1O ZINC000335026313 387119479 /nfs/dbraw/zinc/11/94/79/387119479.db2.gz MFAYCYMPEVIMLI-VHSXEESVSA-N 0 3 242.363 0.979 20 0 BCADHN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)N1CCCNCC1 ZINC000418102409 387122460 /nfs/dbraw/zinc/12/24/60/387122460.db2.gz RMTNNFJGTVAWLD-JGPRNRPPSA-N 0 3 223.320 0.790 20 0 BCADHN CCC(C)(C)NC(=O)CN[C@@H](C)[C@H](C)CO ZINC000228729949 387123358 /nfs/dbraw/zinc/12/33/58/387123358.db2.gz FCILVZNRLFUCFF-ZJUUUORDSA-N 0 3 230.352 0.898 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)CC(F)(F)F ZINC000228756118 387124237 /nfs/dbraw/zinc/12/42/37/387124237.db2.gz GUOIZARGIGLTSP-MRVPVSSYSA-N 0 3 242.241 0.368 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1CCSC1 ZINC000228751422 387124787 /nfs/dbraw/zinc/12/47/87/387124787.db2.gz NTMVTIXBWCYEEL-KOLCDFICSA-N 0 3 246.376 0.168 20 0 BCADHN CCC(C)(C)NC(=O)CN[C@@H](C)[C@@H](C)CO ZINC000228729931 387124806 /nfs/dbraw/zinc/12/48/06/387124806.db2.gz FCILVZNRLFUCFF-UWVGGRQHSA-N 0 3 230.352 0.898 20 0 BCADHN Cn1ccnc1C[C@@H]1CCCN(CC(N)=O)C1 ZINC000072361163 387125348 /nfs/dbraw/zinc/12/53/48/387125348.db2.gz FZCDGMLDYHALLN-JTQLQIEISA-N 0 3 236.319 0.160 20 0 BCADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC000335032042 387126445 /nfs/dbraw/zinc/12/64/45/387126445.db2.gz VWWZRNXQCIKRIA-NXEZZACHSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCC[C@H](C)C1 ZINC000335032043 387127031 /nfs/dbraw/zinc/12/70/31/387127031.db2.gz VWWZRNXQCIKRIA-UWVGGRQHSA-N 0 3 241.335 0.051 20 0 BCADHN CN(C)CCN(C)C(=O)C[C@H]1CCOC1 ZINC000359583678 387128388 /nfs/dbraw/zinc/12/83/88/387128388.db2.gz IPHRFDGESHJUQS-SNVBAGLBSA-N 0 3 214.309 0.433 20 0 BCADHN CC(C)N(C)CC(=O)N(C)CCN(C)C1CC1 ZINC000186731680 387130165 /nfs/dbraw/zinc/13/01/65/387130165.db2.gz MHHBYSQIAGYGPH-UHFFFAOYSA-N 0 3 241.379 0.879 20 0 BCADHN CCC[C@H](N)C(=O)N1CCNC[C@@H]1CCC ZINC000359209663 387067635 /nfs/dbraw/zinc/06/76/35/387067635.db2.gz AXJMEYOIVNSUSO-QWRGUYRKSA-N 0 3 227.352 0.714 20 0 BCADHN CCC[C@H](N)C(=O)N1CCNC[C@H]1CCC ZINC000359209659 387068297 /nfs/dbraw/zinc/06/82/97/387068297.db2.gz AXJMEYOIVNSUSO-MNOVXSKESA-N 0 3 227.352 0.714 20 0 BCADHN NC(=O)NC(=O)CN(C1CC1)C1CCCC1 ZINC000057619680 387142189 /nfs/dbraw/zinc/14/21/89/387142189.db2.gz BMWGYFCRYJLHHY-UHFFFAOYSA-N 0 3 225.292 0.588 20 0 BCADHN C[C@@H](O)CN(CCO)C[C@H](O)c1ccccc1 ZINC000290007060 387142541 /nfs/dbraw/zinc/14/25/41/387142541.db2.gz ZKUSIUVHXADLGU-YPMHNXCESA-N 0 3 239.315 0.395 20 0 BCADHN CC(C)COC[C@@H](O)CN1CCC(CO)CC1 ZINC000359694322 387147889 /nfs/dbraw/zinc/14/78/89/387147889.db2.gz KLPHGYNSWOEIAM-ZDUSSCGKSA-N 0 3 245.363 0.724 20 0 BCADHN CC[C@@H](CNC(=O)CN(C)C(C)C)OC ZINC000359695535 387148354 /nfs/dbraw/zinc/14/83/54/387148354.db2.gz BASJQXSBTSXLQB-JTQLQIEISA-N 0 3 216.325 0.868 20 0 BCADHN Cc1nc(CCN(C)CC2(C)COC2)no1 ZINC000353178464 387149955 /nfs/dbraw/zinc/14/99/55/387149955.db2.gz XHIKQFORNUQNLM-UHFFFAOYSA-N 0 3 225.292 0.889 20 0 BCADHN Cn1cncc1CNCCC1(O)CCC1 ZINC000284130459 387151350 /nfs/dbraw/zinc/15/13/50/387151350.db2.gz ULFFHVKZXFTRRE-UHFFFAOYSA-N 0 3 209.293 0.815 20 0 BCADHN CN(C)CCn1ccc(NC(=O)c2cc[nH]n2)n1 ZINC000120056658 387152865 /nfs/dbraw/zinc/15/28/65/387152865.db2.gz LXNYUBNCKKFNNC-UHFFFAOYSA-N 0 3 248.290 0.420 20 0 BCADHN CN(C[C@H]1CCCO1)C(=O)C(N)C(F)(F)F ZINC000353189262 387153352 /nfs/dbraw/zinc/15/33/52/387153352.db2.gz UPHVEIIVULERPI-RQJHMYQMSA-N 0 3 240.225 0.513 20 0 BCADHN CN(C)C(=O)C1(NC[C@H]2CCCC[C@@H]2O)CC1 ZINC000514674967 387153625 /nfs/dbraw/zinc/15/36/25/387153625.db2.gz AWYFKTWPMGKBIZ-MNOVXSKESA-N 0 3 240.347 0.748 20 0 BCADHN COC[C@@H]1CN(C[C@](C)(O)C(C)C)CCO1 ZINC000187079369 387155688 /nfs/dbraw/zinc/15/56/88/387155688.db2.gz DYPPXTQLNMIVLG-RYUDHWBXSA-N 0 3 231.336 0.741 20 0 BCADHN O=C(C[C@@H]1CSCCN1)NCC1CC1 ZINC000085612537 387158141 /nfs/dbraw/zinc/15/81/41/387158141.db2.gz IDSZHKMVSIOJBI-SECBINFHSA-N 0 3 214.334 0.608 20 0 BCADHN O=C(C[C@H]1CSCCN1)NCC1CCC1 ZINC000085613032 387158567 /nfs/dbraw/zinc/15/85/67/387158567.db2.gz ZWRXHCLYARISSI-JTQLQIEISA-N 0 3 228.361 0.998 20 0 BCADHN CO[C@H](C)CSc1nnnn1CCN(C)C ZINC000359743386 387158903 /nfs/dbraw/zinc/15/89/03/387158903.db2.gz BYBQESHVEDMOLS-MRVPVSSYSA-N 0 3 245.352 0.362 20 0 BCADHN COC[C@H](C)N(C)C(=O)C[C@H]1CSCCN1 ZINC000085613472 387161445 /nfs/dbraw/zinc/16/14/45/387161445.db2.gz 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387164979 /nfs/dbraw/zinc/16/49/79/387164979.db2.gz OFFSGQWDDMRTRL-SNVBAGLBSA-N 0 3 243.351 0.662 20 0 BCADHN C[C@H](F)CCN1CCC[C@H]2C(=O)NC[C@@H]21 ZINC000352405930 387165525 /nfs/dbraw/zinc/16/55/25/387165525.db2.gz KIJVRUNNYYRLDH-AEJSXWLSSA-N 0 3 214.284 0.945 20 0 BCADHN c1[nH]nc2c1cccc2CNC[C@@H]1CNCCO1 ZINC000571770936 387165807 /nfs/dbraw/zinc/16/58/07/387165807.db2.gz MYDXOQMZBYEPSV-LBPRGKRZSA-N 0 3 246.314 0.641 20 0 BCADHN CC(C)C[C@H](C)NC(=O)C[C@@H]1CNCCO1 ZINC000085619198 387165686 /nfs/dbraw/zinc/16/56/86/387165686.db2.gz PULXILNQSCJOFI-WDEREUQCSA-N 0 3 228.336 0.916 20 0 BCADHN c1[nH]nc2c1cccc2CNC[C@H]1CNCCO1 ZINC000571770935 387166311 /nfs/dbraw/zinc/16/63/11/387166311.db2.gz MYDXOQMZBYEPSV-GFCCVEGCSA-N 0 3 246.314 0.641 20 0 BCADHN CCN(CCCCOC)[C@H]1CCNC1=O ZINC000352405129 387166304 /nfs/dbraw/zinc/16/63/04/387166304.db2.gz GPHVAMYZXLMYAS-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CCN(CCCCF)[C@@H]1CCNC1=O ZINC000352404505 387166475 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ZINC000360107039 387226209 /nfs/dbraw/zinc/22/62/09/387226209.db2.gz DQCXASOGFFBRKI-UHFFFAOYSA-N 0 3 238.331 0.956 20 0 BCADHN CCOC[C@H](O)CN1CCOCC2(CC2)C1 ZINC000360096017 387227024 /nfs/dbraw/zinc/22/70/24/387227024.db2.gz CYRAUJOVVWWKJP-LLVKDONJSA-N 0 3 229.320 0.496 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@@](C)(O)COC ZINC000572066287 387228180 /nfs/dbraw/zinc/22/81/80/387228180.db2.gz ZAWKUTZGSOHZML-LBPRGKRZSA-N 0 3 246.351 0.184 20 0 BCADHN CN(C)CCN(C)c1cncc2nncn21 ZINC000360125707 387228684 /nfs/dbraw/zinc/22/86/84/387228684.db2.gz BADUELABFYGOOW-UHFFFAOYSA-N 0 3 220.280 0.122 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@H](N)C(C)C)n1 ZINC000353566674 387230773 /nfs/dbraw/zinc/23/07/73/387230773.db2.gz RLSLNPNLJCSMGG-HTRCEHHLSA-N 0 3 226.280 0.539 20 0 BCADHN O=C1NCCCC[C@@H]1N1CC[C@]2(CCOC2)C1 ZINC000120340699 387230956 /nfs/dbraw/zinc/23/09/56/387230956.db2.gz QOLMDHQGPDXEMX-AAEUAGOBSA-N 0 3 238.331 0.768 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H]2F)C1 ZINC000424648654 387234322 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ZINC000514940259 387318472 /nfs/dbraw/zinc/31/84/72/387318472.db2.gz QICQCEUJFOPZSN-SECBINFHSA-N 0 3 207.277 0.950 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ccc(N(C)C)nc1 ZINC000514859099 387297304 /nfs/dbraw/zinc/29/73/04/387297304.db2.gz HDWOILCFIWOXSC-SNVBAGLBSA-N 0 3 236.319 0.501 20 0 BCADHN NC(=O)CCNCCOc1ccc(F)cc1F ZINC000572274688 387298018 /nfs/dbraw/zinc/29/80/18/387298018.db2.gz LBKWSHCKLUMYFY-UHFFFAOYSA-N 0 3 244.241 0.809 20 0 BCADHN O=C1CCN(CN[C@H]2CCc3nccn3C2)CC1 ZINC000372469601 387305856 /nfs/dbraw/zinc/30/58/56/387305856.db2.gz ZBHQCGLIATVNGY-NSHDSACASA-N 0 3 248.330 0.410 20 0 BCADHN C[C@H](O)CC(C)(C)CNC(=O)[C@@]1(F)CCNC1 ZINC000305099118 387309219 /nfs/dbraw/zinc/30/92/19/387309219.db2.gz AINAONQXSLVDCL-JOYOIKCWSA-N 0 3 246.326 0.601 20 0 BCADHN CO[C@@H]1CCCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000373291101 387355169 /nfs/dbraw/zinc/35/51/69/387355169.db2.gz YEAHFDATGZWSJO-DTWKUNHWSA-N 0 3 243.307 0.071 20 0 BCADHN CCc1nnc(CN2CCN(C)C(C)(C)C2)[nH]1 ZINC000572896513 387362654 /nfs/dbraw/zinc/36/26/54/387362654.db2.gz UMGXKCILJDZGNJ-UHFFFAOYSA-N 0 3 237.351 0.893 20 0 BCADHN CCc1nc(CN2CCN(C)C(C)(C)C2)n[nH]1 ZINC000572896513 387362658 /nfs/dbraw/zinc/36/26/58/387362658.db2.gz UMGXKCILJDZGNJ-UHFFFAOYSA-N 0 3 237.351 0.893 20 0 BCADHN CN(C)CCNC(=O)[C@H]1C[C@]12CCOC2 ZINC000373406290 387363849 /nfs/dbraw/zinc/36/38/49/387363849.db2.gz IPEGNGKVUPUBFS-KOLCDFICSA-N 0 3 212.293 0.091 20 0 BCADHN CN(C)CCNC(=O)[C@H]1C[C@@]12CCOC2 ZINC000373406291 387364769 /nfs/dbraw/zinc/36/47/69/387364769.db2.gz IPEGNGKVUPUBFS-MWLCHTKSSA-N 0 3 212.293 0.091 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](CO)Cc1ccco1 ZINC000515379237 387370406 /nfs/dbraw/zinc/37/04/06/387370406.db2.gz OSBSEALCRIJEHW-ONGXEEELSA-N 0 3 240.303 0.284 20 0 BCADHN CCSCCN[C@@H]1COC[C@H]1OC ZINC000515381207 387373934 /nfs/dbraw/zinc/37/39/34/387373934.db2.gz ZJRFAONOUZCQND-RKDXNWHRSA-N 0 3 205.323 0.743 20 0 BCADHN COC(C)(C)CN(C)C(=O)[C@@H]1C[C@@H]1N ZINC000515404120 387377507 /nfs/dbraw/zinc/37/75/07/387377507.db2.gz RPLSPMUIYCDNJG-SFYZADRCSA-N 0 3 200.282 0.217 20 0 BCADHN CCO[C@H]1C[C@H](N[C@@H](C)C(=O)NC)C1(C)C ZINC000082922886 387384829 /nfs/dbraw/zinc/38/48/29/387384829.db2.gz UTXCWEVWKPTIAI-GUBZILKMSA-N 0 3 228.336 0.914 20 0 BCADHN CN(CCN1CCCC1)Cc1nncn1C ZINC000162493574 387384909 /nfs/dbraw/zinc/38/49/09/387384909.db2.gz UWMAUUGTGLJBIV-UHFFFAOYSA-N 0 3 223.324 0.343 20 0 BCADHN CO[C@@H]1CCN(C(=O)C2CCN(C)CC2)C1 ZINC000360980716 387380506 /nfs/dbraw/zinc/38/05/06/387380506.db2.gz ZFANJGSYKGPRPE-LLVKDONJSA-N 0 3 226.320 0.576 20 0 BCADHN Cc1c([C@H](C)NC[C@H]2COCCO2)cnn1C ZINC000352557380 387324559 /nfs/dbraw/zinc/32/45/59/387324559.db2.gz NCVJZSIVOLUOMP-ONGXEEELSA-N 0 3 239.319 0.795 20 0 BCADHN Cc1c([C@@H](C)NC[C@@H]2COCCO2)cnn1C ZINC000352557379 387324609 /nfs/dbraw/zinc/32/46/09/387324609.db2.gz NCVJZSIVOLUOMP-MWLCHTKSSA-N 0 3 239.319 0.795 20 0 BCADHN C[C@@]1(O)CCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000336558628 387382698 /nfs/dbraw/zinc/38/26/98/387382698.db2.gz KKDNDNLKHMLILV-CMPLNLGQSA-N 0 3 224.304 0.206 20 0 BCADHN COC[C@H](CCO)NCc1c(C)cnn1C ZINC000286468188 387326997 /nfs/dbraw/zinc/32/69/97/387326997.db2.gz KRSLBNUYUQZXFO-JTQLQIEISA-N 0 3 227.308 0.216 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C1CC1 ZINC000354081706 387327872 /nfs/dbraw/zinc/32/78/72/387327872.db2.gz HDHZNVHOAWSHQI-VXGBXAGGSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N(C)CCN(C)C1CC1 ZINC000354082600 387328081 /nfs/dbraw/zinc/32/80/81/387328081.db2.gz NSZJRTAGTYBDCI-JQWIXIFHSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C(=O)[C@]1(F)CCNC1)C1CCC1 ZINC000306228920 387329223 /nfs/dbraw/zinc/32/92/23/387329223.db2.gz GKKOBJUMZXIOKE-JTQLQIEISA-N 0 3 200.257 0.699 20 0 BCADHN COC[C@@H](C)NC(=O)C[C@@H]1CSCCN1 ZINC000085612583 387331503 /nfs/dbraw/zinc/33/15/03/387331503.db2.gz XXLJFMPDGFWLGJ-RKDXNWHRSA-N 0 3 232.349 0.233 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C)N(C)C ZINC000354156109 387338146 /nfs/dbraw/zinc/33/81/46/387338146.db2.gz VPSKSYROLJBGEQ-UWVGGRQHSA-N 0 3 213.325 0.147 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@H](COC)C1 ZINC000354155047 387339214 /nfs/dbraw/zinc/33/92/14/387339214.db2.gz HDMQGHICRRQXGN-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN COC[C@@H]1CCCN(CC(=O)N2CCC2)C1 ZINC000354155211 387339347 /nfs/dbraw/zinc/33/93/47/387339347.db2.gz JJABNOWUNRGVOH-LLVKDONJSA-N 0 3 226.320 0.577 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)CN(C)C ZINC000423512649 387348819 /nfs/dbraw/zinc/34/88/19/387348819.db2.gz PADNQFGXOUKQEJ-SNVBAGLBSA-N 0 3 213.325 0.149 20 0 BCADHN C[C@@H]1CC[C@@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000572371665 387350278 /nfs/dbraw/zinc/35/02/78/387350278.db2.gz ITJJQLMXBFLTMM-BBBLOLIVSA-N 0 3 227.308 0.073 20 0 BCADHN Cc1n[nH]cc1CNC[C@H](CO)[C@H]1CCOC1 ZINC000360771648 387350450 /nfs/dbraw/zinc/35/04/50/387350450.db2.gz IURHZAXIUCAGHX-CMPLNLGQSA-N 0 3 239.319 0.453 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@@]1(C)CCCO1 ZINC000354231943 387350529 /nfs/dbraw/zinc/35/05/29/387350529.db2.gz YAIXMWXFYHCLAP-ZYHUDNBSSA-N 0 3 243.351 0.805 20 0 BCADHN CCN(C)C(=O)CN1CC[C@](O)(C2CC2)C1 ZINC000373242745 387351191 /nfs/dbraw/zinc/35/11/91/387351191.db2.gz HLMDJYKAOOPVBC-GFCCVEGCSA-N 0 3 226.320 0.312 20 0 BCADHN CC[C@@H](C(N)=O)N1CCOC[C@H](C2CCC2)C1 ZINC000368640024 387351592 /nfs/dbraw/zinc/35/15/92/387351592.db2.gz ZRXHQYQFLXQWIS-NEPJUHHUSA-N 0 3 240.347 0.999 20 0 BCADHN CO[C@H]1CCCN(CC(=O)N2CCC2)CC1 ZINC000373285903 387351645 /nfs/dbraw/zinc/35/16/45/387351645.db2.gz DEEICQFRCSGRFP-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000354739442 387425950 /nfs/dbraw/zinc/42/59/50/387425950.db2.gz YMCIFVTXJWQRHE-UTUOFQBUSA-N 0 3 240.347 0.556 20 0 BCADHN CCC[C@H](NC(=O)[C@H](N)C(C)C)C(=O)OC ZINC000423795609 387427656 /nfs/dbraw/zinc/42/76/56/387427656.db2.gz GFERXAJFTXLSJJ-DTWKUNHWSA-N 0 3 230.308 0.428 20 0 BCADHN Cc1cc(CNCCc2nnnn2C)ccn1 ZINC000623481828 387428447 /nfs/dbraw/zinc/42/84/47/387428447.db2.gz VVYSEUVVCNYBBJ-UHFFFAOYSA-N 0 3 232.291 0.246 20 0 BCADHN CNCC(=O)N1CCOC[C@H]1Cc1ccccc1 ZINC000083885165 387429407 /nfs/dbraw/zinc/42/94/07/387429407.db2.gz ULMTVMBKNWXMMC-CYBMUJFWSA-N 0 3 248.326 0.676 20 0 BCADHN CC[C@H](O)CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000304032121 387429682 /nfs/dbraw/zinc/42/96/82/387429682.db2.gz YTTFGKDUURNANY-WDEREUQCSA-N 0 3 226.320 0.500 20 0 BCADHN CCOC(=O)CC[C@@H](C)NC(=O)C(C)(C)N ZINC000423798210 387430133 /nfs/dbraw/zinc/43/01/33/387430133.db2.gz IMBQGWWDIDICAI-MRVPVSSYSA-N 0 3 230.308 0.572 20 0 BCADHN CCC[C@H](NC(=O)[C@H]1CCCCN1)C(=O)OC ZINC000423803985 387430169 /nfs/dbraw/zinc/43/01/69/387430169.db2.gz RHRVULVHMJJDQK-ZJUUUORDSA-N 0 3 242.319 0.586 20 0 BCADHN C[C@H](CNC(=O)NCCCO)N(C)C1CC1 ZINC000304026073 387430715 /nfs/dbraw/zinc/43/07/15/387430715.db2.gz ZJMSSOALSROQDZ-SECBINFHSA-N 0 3 229.324 0.151 20 0 BCADHN CN(CCN1CCCOCC1)[C@H]1CCOC1 ZINC000361281926 387431107 /nfs/dbraw/zinc/43/11/07/387431107.db2.gz QQQJYABTMRWQQJ-LBPRGKRZSA-N 0 3 228.336 0.429 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@](C)(C(=O)OC)C1 ZINC000423826167 387431855 /nfs/dbraw/zinc/43/18/55/387431855.db2.gz YABKKYAMVLQUOP-GZMMTYOYSA-N 0 3 228.292 0.135 20 0 BCADHN COC(=O)[C@@]1(C)CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000423818680 387432574 /nfs/dbraw/zinc/43/25/74/387432574.db2.gz NFMPQOHOEWEZEP-SKDRFNHKSA-N 0 3 242.319 0.381 20 0 BCADHN COCCSCCCN1CC(C)(C(N)=O)C1 ZINC000515838406 387433177 /nfs/dbraw/zinc/43/31/77/387433177.db2.gz WAEPAEFDRAZJGM-UHFFFAOYSA-N 0 3 246.376 0.563 20 0 BCADHN CNCC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000423844242 387435312 /nfs/dbraw/zinc/43/53/12/387435312.db2.gz JDBMBOUNXUJYQY-ATZCPNFKSA-N 0 3 240.303 0.006 20 0 BCADHN COCC[C@H](C)N1CCC(O)(C(=O)OC)CC1 ZINC000354831065 387435802 /nfs/dbraw/zinc/43/58/02/387435802.db2.gz KYKZPBBQLHLIAN-JTQLQIEISA-N 0 3 245.319 0.411 20 0 BCADHN CN(CCC(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1O ZINC000361309970 387436523 /nfs/dbraw/zinc/43/65/23/387436523.db2.gz RECCFADMWOCGDP-ZJUUUORDSA-N 0 3 245.319 0.410 20 0 BCADHN CCOC[C@@H]1CCN([C@@H]2COC[C@@H]2O)C1 ZINC000361310673 387437336 /nfs/dbraw/zinc/43/73/36/387437336.db2.gz UTEOCLJUIQOFIV-MXWKQRLJSA-N 0 3 215.293 0.105 20 0 BCADHN CCC[C@H](N)C(=O)N1CCCN(CC)C(=O)C1 ZINC000423859076 387437994 /nfs/dbraw/zinc/43/79/94/387437994.db2.gz FZLJXHSSSKORSN-JTQLQIEISA-N 0 3 241.335 0.195 20 0 BCADHN C[C@@H]1OCCN(CCN2CCCOCC2)[C@H]1C ZINC000361318538 387438772 /nfs/dbraw/zinc/43/87/72/387438772.db2.gz MZYGOGPDCDWIEQ-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000423864499 387439375 /nfs/dbraw/zinc/43/93/75/387439375.db2.gz YXIVETDSBMZZGF-GARJFASQSA-N 0 3 228.336 0.855 20 0 BCADHN CC[C@H](N)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000423866933 387439957 /nfs/dbraw/zinc/43/99/57/387439957.db2.gz MDRRNVSNOAGFEW-LPEHRKFASA-N 0 3 214.309 0.343 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)C(N)C(F)(F)F)C1 ZINC000423864900 387440405 /nfs/dbraw/zinc/44/04/05/387440405.db2.gz JTMOPCFSOSDGJU-RRKCRQDMSA-N 0 3 240.225 0.560 20 0 BCADHN CN(C[C@H]1CCC[C@H]1O)C(=O)[C@H]1C[C@H](F)CN1 ZINC000423866590 387440641 /nfs/dbraw/zinc/44/06/41/387440641.db2.gz LXTYWVVLFPHWCQ-LMLFDSFASA-N 0 3 244.310 0.306 20 0 BCADHN CCS(=O)(=O)NCCN1CC[C@@H](C2CC2)C1 ZINC000374313065 387441013 /nfs/dbraw/zinc/44/10/13/387441013.db2.gz XGMZUABNZAGCKG-LLVKDONJSA-N 0 3 246.376 0.658 20 0 BCADHN C[C@H](CN(C)[C@@H]1COC[C@@H]1O)c1nccs1 ZINC000361333475 387441026 /nfs/dbraw/zinc/44/10/26/387441026.db2.gz AXWLBJXPQGJEIA-BBBLOLIVSA-N 0 3 242.344 0.938 20 0 BCADHN COC(=O)CNC(=O)CN1C[C@H](C)C[C@H]1C ZINC000354869294 387441044 /nfs/dbraw/zinc/44/10/44/387441044.db2.gz OELGNUIINLKALC-RKDXNWHRSA-N 0 3 228.292 0.006 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000423876215 387442067 /nfs/dbraw/zinc/44/20/67/387442067.db2.gz RYNRDSIYQQOOKW-DCAQKATOSA-N 0 3 228.336 0.589 20 0 BCADHN COC(=O)[C@]1(C)CN(CC(OC)OC)C[C@H]1C ZINC000374327867 387443335 /nfs/dbraw/zinc/44/33/35/387443335.db2.gz RVRBNCIOPGGVGJ-BXKDBHETSA-N 0 3 245.319 0.736 20 0 BCADHN CCCN1CCN(C(=O)CNC)C(C)(C)C1=O ZINC000423887354 387444487 /nfs/dbraw/zinc/44/44/87/387444487.db2.gz GSFMGQZHYGLJIR-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CN(C[C@@H]1CCCC[C@@H]1O)[C@H]1COC[C@@H]1O ZINC000361347876 387444508 /nfs/dbraw/zinc/44/45/08/387444508.db2.gz FEKPTBMEMCCJMG-BJDJZHNGSA-N 0 3 229.320 0.229 20 0 BCADHN C[C@@H]1CCN(CCN2CCCOCC2)C[C@H]1O ZINC000361353061 387445527 /nfs/dbraw/zinc/44/55/27/387445527.db2.gz GZSMWGJLRUQNDL-CHWSQXEVSA-N 0 3 242.363 0.411 20 0 BCADHN CCN(C)C(=O)CCN1CCOC[C@@H](C)C1 ZINC000374368041 387446206 /nfs/dbraw/zinc/44/62/06/387446206.db2.gz SWYYJTMXYKMZSX-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000423893726 387446591 /nfs/dbraw/zinc/44/65/91/387446591.db2.gz ATDBXJKZAYBNOQ-SDDRHHMPSA-N 0 3 239.363 0.666 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1CC[C@H](OC)C1 ZINC000361363377 387446871 /nfs/dbraw/zinc/44/68/71/387446871.db2.gz YJJQNKZXMVYLEY-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)C1CCOCC1 ZINC000336604572 387447022 /nfs/dbraw/zinc/44/70/22/387447022.db2.gz AYLLKDGGBVSKMA-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CCOCC[C@@H](O)CN1CCC[C@H]2COC[C@H]21 ZINC000374373325 387447713 /nfs/dbraw/zinc/44/77/13/387447713.db2.gz HUNSHLDHXADGAP-YNEHKIRRSA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1nc2cccnc2n1C ZINC000423897979 387448504 /nfs/dbraw/zinc/44/85/04/387448504.db2.gz WHRYZSNIJICSSD-VIFPVBQESA-N 0 3 247.302 0.890 20 0 BCADHN CCC1(CC)[C@H](N(C)C(=O)CN)C[C@@H]1OC ZINC000423911206 387448701 /nfs/dbraw/zinc/44/87/01/387448701.db2.gz VHVFQOWVIRRSOQ-ZJUUUORDSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@@H](N)C(=O)N1CCN(CC(C)C)CC1 ZINC000037821712 387449361 /nfs/dbraw/zinc/44/93/61/387449361.db2.gz JQYXUCKUTMIAGQ-LLVKDONJSA-N 0 3 227.352 0.524 20 0 BCADHN CCCN[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)CC ZINC000423917328 387449700 /nfs/dbraw/zinc/44/97/00/387449700.db2.gz JQWZARQHCBTMQM-UWVGGRQHSA-N 0 3 243.351 0.358 20 0 BCADHN CCC[C@]1(CO)CCN([C@@H]2COC[C@H]2O)C1 ZINC000361373188 387449904 /nfs/dbraw/zinc/44/99/04/387449904.db2.gz BAXFCGCECOYTJL-UTUOFQBUSA-N 0 3 229.320 0.231 20 0 BCADHN CO[C@@]1(CN[C@H](C)c2cn[nH]c2)CCOC1 ZINC000304236459 387450917 /nfs/dbraw/zinc/45/09/17/387450917.db2.gz MKVTWSOSXSXAQD-MWLCHTKSSA-N 0 3 225.292 0.866 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)[C@@H](C)OC ZINC000423920042 387451113 /nfs/dbraw/zinc/45/11/13/387451113.db2.gz FZWLUXRUYMTJBK-AXTSPUMRSA-N 0 3 216.325 0.899 20 0 BCADHN NC1(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)CC1 ZINC000516048560 387451863 /nfs/dbraw/zinc/45/18/63/387451863.db2.gz JNEGXVOYZYSLMS-IWSPIJDZSA-N 0 3 210.277 0.161 20 0 BCADHN CC1(CCNC(=O)CCOC2CNC2)CC1 ZINC000423931560 387452788 /nfs/dbraw/zinc/45/27/88/387452788.db2.gz QKTGYFXBZMMMFP-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN CO[C@@H](CN)C(=O)N(CC1CCC1)C(C)C ZINC000423931282 387453098 /nfs/dbraw/zinc/45/30/98/387453098.db2.gz PUWVQHQMQHZHOL-NSHDSACASA-N 0 3 228.336 0.997 20 0 BCADHN COCCn1cc(CN[C@@H]2CO[C@H](C)C2)cn1 ZINC000516063434 387454000 /nfs/dbraw/zinc/45/40/00/387454000.db2.gz TZDRYLJUTAPYBK-PWSUYJOCSA-N 0 3 239.319 0.797 20 0 BCADHN CC[C@@H](C)N1CCC(NS(=O)(=O)NC)CC1 ZINC000361393485 387455348 /nfs/dbraw/zinc/45/53/48/387455348.db2.gz XKFMVDCBIZJJHW-SECBINFHSA-N 0 3 249.380 0.303 20 0 BCADHN CC(C)(C)OC[C@H](O)CN1CC[C@@H](CO)C1 ZINC000304278162 387457179 /nfs/dbraw/zinc/45/71/79/387457179.db2.gz JVSYWQIBQPNWPV-GHMZBOCLSA-N 0 3 231.336 0.477 20 0 BCADHN CC(C)C(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000304286559 387459831 /nfs/dbraw/zinc/45/98/31/387459831.db2.gz LOXPNXLPYWMXBO-UHFFFAOYSA-N 0 3 242.363 0.948 20 0 BCADHN Cc1ncc(C(=O)N2CCN[C@H](C)[C@H]2C)c(C)n1 ZINC000423602736 387385332 /nfs/dbraw/zinc/38/53/32/387385332.db2.gz HKNUABLJIFSZBW-PSASIEDQSA-N 0 3 248.330 0.916 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)C[C@@H]1CCOC1 ZINC000162257317 387388440 /nfs/dbraw/zinc/38/84/40/387388440.db2.gz KWPDQQXCWITNMP-QWRGUYRKSA-N 0 3 228.336 0.855 20 0 BCADHN CCCN(C)C(=O)C(=O)N1CCCC[C@H]1CN ZINC000423587514 387390127 /nfs/dbraw/zinc/39/01/27/387390127.db2.gz CRHZNCPLIHYEDD-JTQLQIEISA-N 0 3 241.335 0.195 20 0 BCADHN O=C(CN1C[C@H]2CCC[C@@H]2C1)N1CCC1 ZINC000336564469 387391976 /nfs/dbraw/zinc/39/19/76/387391976.db2.gz BRCSOWXDKGVEBE-GHMZBOCLSA-N 0 3 208.305 0.951 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC[C@H](C)O ZINC000082996131 387394124 /nfs/dbraw/zinc/39/41/24/387394124.db2.gz UTFBJLDTXJSRGO-VGMNWLOBSA-N 0 3 202.298 0.247 20 0 BCADHN COC[C@@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000361047777 387394683 /nfs/dbraw/zinc/39/46/83/387394683.db2.gz FHXCYVDCUGLATA-SECBINFHSA-N 0 3 249.314 0.948 20 0 BCADHN CC[C@@H]1CCN(C(=O)C(=O)N(C)[C@H](C)CN)C1 ZINC000423708248 387400706 /nfs/dbraw/zinc/40/07/06/387400706.db2.gz UPBQTWFBKKWCJX-NXEZZACHSA-N 0 3 241.335 0.051 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@H]1C[C@@H](C)CCN1 ZINC000423745510 387406918 /nfs/dbraw/zinc/40/69/18/387406918.db2.gz PQYBOWIIARWWIB-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN Cc1[nH]nc2ncc(NC(=O)C(C)(C)N)cc12 ZINC000423743982 387407557 /nfs/dbraw/zinc/40/75/57/387407557.db2.gz KRMIDGQGIUBHBR-UHFFFAOYSA-N 0 3 233.275 0.942 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N(CC)CC(=O)OC ZINC000423746315 387407885 /nfs/dbraw/zinc/40/78/85/387407885.db2.gz QULGBDSWOURBOA-PSASIEDQSA-N 0 3 230.308 0.381 20 0 BCADHN COC1(C)CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000336581277 387408070 /nfs/dbraw/zinc/40/80/70/387408070.db2.gz LSKSUOUBYNULPB-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN O=C1CO[C@H]2CCN(C3CCCC3)C[C@H]2N1 ZINC000373969231 387408907 /nfs/dbraw/zinc/40/89/07/387408907.db2.gz PXBMLUBYLQWYLH-MNOVXSKESA-N 0 3 224.304 0.518 20 0 BCADHN COC[C@@H](C)NC(=O)NCCN(C)C1CC1 ZINC000354637827 387409287 /nfs/dbraw/zinc/40/92/87/387409287.db2.gz AGTULZUAINGBAN-SECBINFHSA-N 0 3 229.324 0.415 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(CC)CC(=O)OC ZINC000423752072 387409726 /nfs/dbraw/zinc/40/97/26/387409726.db2.gz ZNPGKUJQZIKPCX-LLVKDONJSA-N 0 3 230.308 0.525 20 0 BCADHN CCC[C@@](C)([NH3+])C(=O)NCc1ncccc1[O-] ZINC000423751810 387409976 /nfs/dbraw/zinc/40/99/76/387409976.db2.gz BLGHQJNYSSGTNV-GFCCVEGCSA-N 0 3 237.303 0.921 20 0 BCADHN [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000423757901 387410877 /nfs/dbraw/zinc/41/08/77/387410877.db2.gz MGQXZWRPNFUYSM-NXEZZACHSA-N 0 3 249.314 0.778 20 0 BCADHN COC(=O)C1(CNC(=O)C2(N)CCCC2)CC1 ZINC000423757105 387412431 /nfs/dbraw/zinc/41/24/31/387412431.db2.gz CORRQGSBDGICEX-UHFFFAOYSA-N 0 3 240.303 0.327 20 0 BCADHN CC/C=C/CCN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000374023420 387413007 /nfs/dbraw/zinc/41/30/07/387413007.db2.gz NSDIMXZWHSSAGX-QSKOYVBTSA-N 0 3 238.331 0.932 20 0 BCADHN CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C ZINC000423758801 387413431 /nfs/dbraw/zinc/41/34/31/387413431.db2.gz GNSBMGIRQUZHKO-UWVGGRQHSA-N 0 3 243.351 0.247 20 0 BCADHN CC(C)(C)NC(=O)CN1CCCC[C@H](CO)C1 ZINC000374049607 387413723 /nfs/dbraw/zinc/41/37/23/387413723.db2.gz JFBXTPIWAOQVPJ-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN COC(=O)C1(CNC(=O)[C@H](C)NC2CC2)CC1 ZINC000423759470 387413797 /nfs/dbraw/zinc/41/37/97/387413797.db2.gz HVQNAQLIYHZSHP-QMMMGPOBSA-N 0 3 240.303 0.196 20 0 BCADHN CNC(=O)[C@H](NC(=O)[C@@H](N)CC(C)C)C(C)C ZINC000423758802 387413937 /nfs/dbraw/zinc/41/39/37/387413937.db2.gz GNSBMGIRQUZHKO-VHSXEESVSA-N 0 3 243.351 0.247 20 0 BCADHN CCCC[C@H](N)C(=O)NCC1(C(=O)OC)CC1 ZINC000423759857 387414136 /nfs/dbraw/zinc/41/41/36/387414136.db2.gz ISXSVHZABWMSLM-VIFPVBQESA-N 0 3 242.319 0.573 20 0 BCADHN COC(=O)CCN(C(=O)[C@H](C)N)C(C)C ZINC000423759705 387414904 /nfs/dbraw/zinc/41/49/04/387414904.db2.gz PEUTZWJBCBXRMX-QMMMGPOBSA-N 0 3 216.281 0.134 20 0 BCADHN O=C(CN1CCCC[C@@H](CO)C1)N1CCCC1 ZINC000374054298 387415022 /nfs/dbraw/zinc/41/50/22/387415022.db2.gz YFDNKAGAJSXZKP-GFCCVEGCSA-N 0 3 240.347 0.703 20 0 BCADHN CNC(=O)[C@H](NC(=O)[C@H]1CCCCN1)C(C)C ZINC000423761968 387415805 /nfs/dbraw/zinc/41/58/05/387415805.db2.gz NJFTZMPANGGJFD-NXEZZACHSA-N 0 3 241.335 0.015 20 0 BCADHN CCC[C@@H](N)C(=O)NCC1(C(=O)OC)CC1 ZINC000423764565 387415847 /nfs/dbraw/zinc/41/58/47/387415847.db2.gz RTTLJALKBOPNBS-MRVPVSSYSA-N 0 3 228.292 0.183 20 0 BCADHN O=C1CCCN1C1CCN(CCCO)CC1 ZINC000303977069 387416815 /nfs/dbraw/zinc/41/68/15/387416815.db2.gz KVHZXLUXLCTWMP-UHFFFAOYSA-N 0 3 226.320 0.456 20 0 BCADHN O=C1CCCN1C1CCN(CCCCO)CC1 ZINC000303977034 387417530 /nfs/dbraw/zinc/41/75/30/387417530.db2.gz KSUNNYKAVPEILB-UHFFFAOYSA-N 0 3 240.347 0.846 20 0 BCADHN COC[C@@H](C)NCc1ccc(C(=O)N(C)C)[nH]1 ZINC000354692432 387417841 /nfs/dbraw/zinc/41/78/41/387417841.db2.gz GTCPDKVCHRYCFS-SECBINFHSA-N 0 3 239.319 0.841 20 0 BCADHN CC(C)CC[C@@H](O)CN(CC(N)=O)C(C)C ZINC000361214067 387417907 /nfs/dbraw/zinc/41/79/07/387417907.db2.gz CPFVGIKTLIXZJS-LLVKDONJSA-N 0 3 230.352 0.979 20 0 BCADHN NC(C(=O)N[C@H]1CCCC[C@@H]1O)C(F)(F)F ZINC000423768621 387418570 /nfs/dbraw/zinc/41/85/70/387418570.db2.gz FIKMBERAENEBRM-LYFYHCNISA-N 0 3 240.225 0.296 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@H](C(=O)NC)C(C)C ZINC000423767341 387418778 /nfs/dbraw/zinc/41/87/78/387418778.db2.gz 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KWYCSBBROARLGN-TUAOUCFPSA-N 0 3 240.347 0.822 20 0 BCADHN COC[C@@H](CCO)N[C@H]1COC(C)(C)C1 ZINC000396833613 387496488 /nfs/dbraw/zinc/49/64/88/387496488.db2.gz VCQARAKPWFXQDP-NXEZZACHSA-N 0 3 217.309 0.541 20 0 BCADHN CO[C@H](C)CC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000374876447 387496755 /nfs/dbraw/zinc/49/67/55/387496755.db2.gz NVEQKELRMNRYKJ-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1OCC[C@H]1N(CCO)CCn1cccn1 ZINC000361575830 387498433 /nfs/dbraw/zinc/49/84/33/387498433.db2.gz DCZVHALFWINWHJ-NWDGAFQWSA-N 0 3 239.319 0.355 20 0 BCADHN Cc1c[nH]nc1CN[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000352809081 387501001 /nfs/dbraw/zinc/50/10/01/387501001.db2.gz FSCKYLNZYAEKQO-NXEZZACHSA-N 0 3 236.319 0.852 20 0 BCADHN COC(=O)CCN(CCO)[C@@H]1CCO[C@@H]1C ZINC000361580207 387502731 /nfs/dbraw/zinc/50/27/31/387502731.db2.gz WCGRNPBHBDJPHD-NXEZZACHSA-N 0 3 231.292 0.021 20 0 BCADHN CC(C)N1CC[C@@H](N2CCC[C@@H](CO)C2)C1=O ZINC000304697657 387503227 /nfs/dbraw/zinc/50/32/27/387503227.db2.gz 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SYKWFFLZSDBPJH-NWDGAFQWSA-N 0 3 241.379 0.389 20 0 BCADHN Cc1cc(CNC(=O)c2ccnc(CN)c2)n[nH]1 ZINC000648079621 387508109 /nfs/dbraw/zinc/50/81/09/387508109.db2.gz FZJAQDARSMLWNA-UHFFFAOYSA-N 0 3 245.286 0.502 20 0 BCADHN Cc1cc(CNC(=O)[C@H]2CCCCN2)[nH]n1 ZINC000648079605 387508908 /nfs/dbraw/zinc/50/89/08/387508908.db2.gz CQQDYCUCYHWJIN-SNVBAGLBSA-N 0 3 222.292 0.476 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H]1CCCCO1 ZINC000042823837 387509464 /nfs/dbraw/zinc/50/94/64/387509464.db2.gz FHURZMSSGHHYDA-RKDXNWHRSA-N 0 3 200.282 0.409 20 0 BCADHN CC[C@H](OC)C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000375062300 387509492 /nfs/dbraw/zinc/50/94/92/387509492.db2.gz AMBKZESZCXRFTP-SRVKXCTJSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@@H](N)C(=O)N(C)C[C@@H]1CCCCO1 ZINC000042466115 387509814 /nfs/dbraw/zinc/50/98/14/387509814.db2.gz PKXSAUDBWBHVEF-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H](CO)C[C@H](C)C1 ZINC000421960645 387510084 /nfs/dbraw/zinc/51/00/84/387510084.db2.gz GMNPUCRWXDFWSR-NWDGAFQWSA-N 0 3 242.363 0.805 20 0 BCADHN Cc1ccnc(C(=O)NC[C@@H]2CCCN2C)n1 ZINC000527164283 387511179 /nfs/dbraw/zinc/51/11/79/387511179.db2.gz CXCLERAYWUBYAX-JTQLQIEISA-N 0 3 234.303 0.609 20 0 BCADHN Cc1nnc(N2CC[C@H]3CCN(C)[C@H]3C2)o1 ZINC000375232201 387516208 /nfs/dbraw/zinc/51/62/08/387516208.db2.gz CWIWCNJCZBDCDT-ZJUUUORDSA-N 0 3 222.292 0.908 20 0 BCADHN COC[C@@H](O)CN1CCOCC2(CCC2)C1 ZINC000375194959 387516549 /nfs/dbraw/zinc/51/65/49/387516549.db2.gz VOEBOVASQMYMRE-NSHDSACASA-N 0 3 229.320 0.496 20 0 BCADHN COC(=O)[C@H](C)N(C)CCN1CCCCC1 ZINC000361647669 387518480 /nfs/dbraw/zinc/51/84/80/387518480.db2.gz ZPMWBKANTUSNCI-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H](CF)NC(=O)NCCOCCN(C)C ZINC000355357238 387523417 /nfs/dbraw/zinc/52/34/17/387523417.db2.gz WAQJSZSEXUBTGC-VIFPVBQESA-N 0 3 235.303 0.222 20 0 BCADHN C[N@@H+]1CC[C@H](C(=O)NCc2ncccc2[O-])C1 ZINC000527190319 387523752 /nfs/dbraw/zinc/52/37/52/387523752.db2.gz JPNXWNPSMSFBHR-VIFPVBQESA-N 0 3 235.287 0.355 20 0 BCADHN C[N@H+]1CC[C@H](C(=O)NCc2ncccc2[O-])C1 ZINC000527190319 387523756 /nfs/dbraw/zinc/52/37/56/387523756.db2.gz JPNXWNPSMSFBHR-VIFPVBQESA-N 0 3 235.287 0.355 20 0 BCADHN COC(CN[C@H]1CCC(=O)N[C@@H]1C1CC1)OC ZINC000375295818 387524689 /nfs/dbraw/zinc/52/46/89/387524689.db2.gz MCAAZDFEZFOURM-JOYOIKCWSA-N 0 3 242.319 0.252 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](O)CC[C@H]1C ZINC000422001517 387524933 /nfs/dbraw/zinc/52/49/33/387524933.db2.gz GGZLXMGJDWRAIB-GHMZBOCLSA-N 0 3 228.336 0.698 20 0 BCADHN C[C@@H]1COCCN1CCN1CCCC[C@@H]1CO ZINC000192696847 387525284 /nfs/dbraw/zinc/52/52/84/387525284.db2.gz KIWGNJVHHPLZSQ-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN CO[C@@H]1CCC[C@@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000361702200 387525402 /nfs/dbraw/zinc/52/54/02/387525402.db2.gz UOYXZRAHWSXZTN-IQJOONFLSA-N 0 3 230.283 0.372 20 0 BCADHN CO[C@@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000367384992 387525562 /nfs/dbraw/zinc/52/55/62/387525562.db2.gz SKFOGPDRXJLMFH-QMMMGPOBSA-N 0 3 235.287 0.701 20 0 BCADHN COC(=O)[C@H]1CCN(CCCCO)C[C@H]1C ZINC000355375012 387527933 /nfs/dbraw/zinc/52/79/33/387527933.db2.gz DLJNVSURJUJTRG-MNOVXSKESA-N 0 3 229.320 0.890 20 0 BCADHN COC[C@H](C)N1CC[C@@H](n2cncn2)C1 ZINC000375328112 387529793 /nfs/dbraw/zinc/52/97/93/387529793.db2.gz MAJVHFWYADTVBE-VHSXEESVSA-N 0 3 210.281 0.560 20 0 BCADHN COC[C@@H](C)N1CC[C@H](n2cncn2)C1 ZINC000375328113 387529927 /nfs/dbraw/zinc/52/99/27/387529927.db2.gz MAJVHFWYADTVBE-ZJUUUORDSA-N 0 3 210.281 0.560 20 0 BCADHN CC[C@H](CN(CCO)CCOC)OC ZINC000397003849 387530018 /nfs/dbraw/zinc/53/00/18/387530018.db2.gz GWFTULSPVKJCKY-SNVBAGLBSA-N 0 3 205.298 0.352 20 0 BCADHN CCOC[C@H](O)CN(C)CCn1cccn1 ZINC000355382467 387530138 /nfs/dbraw/zinc/53/01/38/387530138.db2.gz XFGLEDDAOBLKOA-LLVKDONJSA-N 0 3 227.308 0.212 20 0 BCADHN COC[C@@H](C)N1CC[C@@H](n2cncn2)C1 ZINC000375328098 387530481 /nfs/dbraw/zinc/53/04/81/387530481.db2.gz MAJVHFWYADTVBE-NXEZZACHSA-N 0 3 210.281 0.560 20 0 BCADHN CCN(CC)CC(=O)N(CC)CCC(=O)OC ZINC000122465348 387532610 /nfs/dbraw/zinc/53/26/10/387532610.db2.gz LAFSBBHOUUUBQN-UHFFFAOYSA-N 0 3 244.335 0.740 20 0 BCADHN CN(C)CCNC(=O)NCCC(C)(C)O ZINC000361783647 387534066 /nfs/dbraw/zinc/53/40/66/387534066.db2.gz YMMJSHGWOIRMCA-UHFFFAOYSA-N 0 3 217.313 0.008 20 0 BCADHN C[C@@H]1C[C@H](C)N1C(=O)[C@H]1CN2CCN1CCC2 ZINC000527207929 387534412 /nfs/dbraw/zinc/53/44/12/387534412.db2.gz AKAKCDILRJUYCR-GRYCIOLGSA-N 0 3 237.347 0.386 20 0 BCADHN C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000527207931 387534551 /nfs/dbraw/zinc/53/45/51/387534551.db2.gz AKAKCDILRJUYCR-TUAOUCFPSA-N 0 3 237.347 0.386 20 0 BCADHN CC[C@@H](CN(CCO)C[C@H](C)O)OC ZINC000397047827 387534776 /nfs/dbraw/zinc/53/47/76/387534776.db2.gz ZVDLPEGKKIQRRS-UWVGGRQHSA-N 0 3 205.298 0.087 20 0 BCADHN CC(C)[C@@](C)(O)CN1CCN2C(=O)OC[C@H]2C1 ZINC000375390994 387537598 /nfs/dbraw/zinc/53/75/98/387537598.db2.gz MHAJYYFKKLPQEZ-PWSUYJOCSA-N 0 3 242.319 0.530 20 0 BCADHN CCN(CC)CC(=O)N(C)C[C@@H]1CCCN1C ZINC000422020208 387538279 /nfs/dbraw/zinc/53/82/79/387538279.db2.gz LIJHXAJGACQTHU-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CNC(=O)C1CCN(CC2(F)CC2)CC1 ZINC000527218189 387539254 /nfs/dbraw/zinc/53/92/54/387539254.db2.gz REZTXDKDQIOMTG-UHFFFAOYSA-N 0 3 214.284 0.947 20 0 BCADHN C[C@@H](NC[C@@H](O)Cn1cccn1)c1cnn(C)c1 ZINC000310740233 387539453 /nfs/dbraw/zinc/53/94/53/387539453.db2.gz GUGYUJKHPAIVTQ-ZYHUDNBSSA-N 0 3 249.318 0.328 20 0 BCADHN CCC1(C(=O)NC[C@H]2CNCCO2)CCC1 ZINC000423996646 387464626 /nfs/dbraw/zinc/46/46/26/387464626.db2.gz XDDOGYUVXZCJGG-SNVBAGLBSA-N 0 3 226.320 0.671 20 0 BCADHN COC[C@H](C)Sc1nnnn1CCN(C)C ZINC000361451185 387465098 /nfs/dbraw/zinc/46/50/98/387465098.db2.gz YZKQRJZFTSMJCV-QMMMGPOBSA-N 0 3 245.352 0.362 20 0 BCADHN COCC[C@H](C)NC(=O)NCCN(C)C1CC1 ZINC000352733679 387465533 /nfs/dbraw/zinc/46/55/33/387465533.db2.gz YBYWCTAUAVKXLT-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN CN(C)C1(CNC(=O)COC(F)F)CCC1 ZINC000355028601 387466453 /nfs/dbraw/zinc/46/64/53/387466453.db2.gz 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/nfs/dbraw/zinc/57/77/55/387577755.db2.gz YMHFFXJWQNHGRI-NWDGAFQWSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCCC1(O)CCC1 ZINC000356210694 387630113 /nfs/dbraw/zinc/63/01/13/387630113.db2.gz DEEUHIIGALGHCN-SNVBAGLBSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@@H](CO)NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000124750677 387632287 /nfs/dbraw/zinc/63/22/87/387632287.db2.gz FEIQKHOCBIQUNE-GXSJLCMTSA-N 0 3 226.320 0.358 20 0 BCADHN CO[C@@]1(CNCc2c(C)n[nH]c2C)CCOC1 ZINC000123004492 387634588 /nfs/dbraw/zinc/63/45/88/387634588.db2.gz BTROVCMTLHWLRV-GFCCVEGCSA-N 0 3 239.319 0.922 20 0 BCADHN CCc1cc(=O)[n-]c(CN2CC[C@@H]([NH3+])C2)n1 ZINC000430623120 387635853 /nfs/dbraw/zinc/63/58/53/387635853.db2.gz GQIZFHFYPBXRMU-MRVPVSSYSA-N 0 3 222.292 0.278 20 0 BCADHN CN(C)CCNC(=O)c1noc2c1COCC2 ZINC000527590829 387637179 /nfs/dbraw/zinc/63/71/79/387637179.db2.gz GKYXOKIMHHNRQT-UHFFFAOYSA-N 0 3 239.275 0.039 20 0 BCADHN CN(Cc1nccn1C(F)F)C(=O)C(C)(C)N ZINC000430679356 387637320 /nfs/dbraw/zinc/63/73/20/387637320.db2.gz LVMGIAXUTJKGSD-UHFFFAOYSA-N 0 3 246.261 0.974 20 0 BCADHN Cc1cnn(C)c1CNC[C@@H](O)[C@@H]1CCCO1 ZINC000527757998 387694862 /nfs/dbraw/zinc/69/48/62/387694862.db2.gz RXWLBSOPSXIVRI-NEPJUHHUSA-N 0 3 239.319 0.358 20 0 BCADHN CC[C@H](OC)C(=O)N(CCN(C)C)C1CC1 ZINC000356277116 387638226 /nfs/dbraw/zinc/63/82/26/387638226.db2.gz JOJYZZHJVXBARP-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1C[C@@H]1N)N(C)c1ccccc1 ZINC000424134442 387640120 /nfs/dbraw/zinc/64/01/20/387640120.db2.gz NQDPGOAEFRSEHJ-UHTWSYAYSA-N 0 3 247.342 0.975 20 0 BCADHN C[C@H](N)C(=O)N1CCC(Oc2ccccn2)CC1 ZINC000430688373 387640608 /nfs/dbraw/zinc/64/06/08/387640608.db2.gz XBOUCWGPGOJBQY-JTQLQIEISA-N 0 3 249.314 0.799 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@@](F)(CO)C1 ZINC000376490996 387641027 /nfs/dbraw/zinc/64/10/27/387641027.db2.gz KHZXTSHLMKVUSM-LBPRGKRZSA-N 0 3 246.326 0.650 20 0 BCADHN C[C@@H](CN1CCOCC1)N1CC[C@@H](C)[C@H](O)C1 ZINC000305758878 387647499 /nfs/dbraw/zinc/64/74/99/387647499.db2.gz CMFUWNQQZPEOQZ-FRRDWIJNSA-N 0 3 242.363 0.410 20 0 BCADHN CCCC(=O)NCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000356346026 387647946 /nfs/dbraw/zinc/64/79/46/387647946.db2.gz MXJMMDRIARNXQL-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1C[C@@H]1N)C(=O)Nc1ccccc1 ZINC000424134810 387648169 /nfs/dbraw/zinc/64/81/69/387648169.db2.gz IMYJCJCUYZDANH-IEBDPFPHSA-N 0 3 247.298 0.477 20 0 BCADHN CC[C@@H](C(=O)NCc1noc(C)n1)N(C)C ZINC000125242033 387649912 /nfs/dbraw/zinc/64/99/12/387649912.db2.gz WHOOQBZOZSFBKR-QMMMGPOBSA-N 0 3 226.280 0.334 20 0 BCADHN CCCCN(CCCO)CC(=O)NC ZINC000305778802 387650281 /nfs/dbraw/zinc/65/02/81/387650281.db2.gz RBGVPJKESAYAID-UHFFFAOYSA-N 0 3 202.298 0.217 20 0 BCADHN C[C@@H]1[C@@H](C(=O)NCCN(C)C)[C@H]1C1CC1 ZINC000527642785 387650351 /nfs/dbraw/zinc/65/03/51/387650351.db2.gz STQBRDAFFWNMRQ-JMJZKYOTSA-N 0 3 210.321 0.956 20 0 BCADHN CC[C@H](N)C(=O)NCCn1cnnc1C1CC1 ZINC000430779267 387651804 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GYNMAAQPEFEBGX-SNVBAGLBSA-N 0 3 247.364 0.011 20 0 BCADHN Cc1cc(CNC[C@@]2(O)CCOC2)ccn1 ZINC000527688101 387658191 /nfs/dbraw/zinc/65/81/91/387658191.db2.gz RKDVRUVJXDFLQI-LBPRGKRZSA-N 0 3 222.288 0.631 20 0 BCADHN CC[C@H](N)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000430899996 387658918 /nfs/dbraw/zinc/65/89/18/387658918.db2.gz OCAGDRRPDXBYEN-QWRGUYRKSA-N 0 3 225.336 0.419 20 0 BCADHN CO[C@]1(CN[C@@H](C)c2cnn(C)c2)CCOC1 ZINC000123152748 387659315 /nfs/dbraw/zinc/65/93/15/387659315.db2.gz VNHLVTKTVUDBQS-JQWIXIFHSA-N 0 3 239.319 0.876 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@H]1NCCCSC ZINC000422754632 387659422 /nfs/dbraw/zinc/65/94/22/387659422.db2.gz JQAMJSGKIRCEJM-ZJUUUORDSA-N 0 3 246.376 0.623 20 0 BCADHN CCC(CC)[C@H](O)CNC(=O)[C@@H]1C[C@@H]1N ZINC000424136478 387660057 /nfs/dbraw/zinc/66/00/57/387660057.db2.gz KRHGWPPFQLGHCJ-KXUCPTDWSA-N 0 3 214.309 0.247 20 0 BCADHN CC(C)CCNC(=O)C1(N)CCOCC1 ZINC000149634815 387661355 /nfs/dbraw/zinc/66/13/55/387661355.db2.gz INMMEJCXPUSFDT-UHFFFAOYSA-N 0 3 214.309 0.657 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@H](CC)COC ZINC000422760199 387662446 /nfs/dbraw/zinc/66/24/46/387662446.db2.gz KPWJRIQZGQXCCA-GMTAPVOTSA-N 0 3 244.335 0.295 20 0 BCADHN Cc1n[nH]cc1CN[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000305913984 387667387 /nfs/dbraw/zinc/66/73/87/387667387.db2.gz ANMXPRBRQYSXHQ-NWDGAFQWSA-N 0 3 248.330 0.961 20 0 BCADHN CN(C)c1cc(NC(=O)[C@@H]2C[C@@H]2N)ccn1 ZINC000424137727 387667632 /nfs/dbraw/zinc/66/76/32/387667632.db2.gz BEEHUUKZPNVFNA-BDAKNGLRSA-N 0 3 220.276 0.433 20 0 BCADHN Cc1nn(C)cc1CN[C@@H]1CCC(=O)NC1 ZINC000126029547 387670717 /nfs/dbraw/zinc/67/07/17/387670717.db2.gz CAHKVOIAYMWKDP-SNVBAGLBSA-N 0 3 222.292 0.097 20 0 BCADHN CN(Cc1cscn1)C(=O)COC1CNC1 ZINC000431053663 387672391 /nfs/dbraw/zinc/67/23/91/387672391.db2.gz ABQRDWLGLFLTKC-UHFFFAOYSA-N 0 3 241.316 0.090 20 0 BCADHN CC[C@H](O)CN1CCSC[C@@H]1CC(=O)OC ZINC000123297284 387673863 /nfs/dbraw/zinc/67/38/63/387673863.db2.gz WXCJRCKASRNMKQ-UWVGGRQHSA-N 0 3 247.360 0.738 20 0 BCADHN CCn1nncc1CNC[C@H]1CCCOC1 ZINC000527727180 387676814 /nfs/dbraw/zinc/67/68/14/387676814.db2.gz LLJCACCRUPFLMF-SNVBAGLBSA-N 0 3 224.308 0.814 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1ccc2cc[nH]c2c1 ZINC000527722951 387677536 /nfs/dbraw/zinc/67/75/36/387677536.db2.gz YZIQDYHTJDSFKZ-NOZJJQNGSA-N 0 3 234.299 0.999 20 0 BCADHN CCn1nncc1CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000527727603 387677632 /nfs/dbraw/zinc/67/76/32/387677632.db2.gz HERPBHYUPFPNHU-WCABBAIRSA-N 0 3 224.308 0.954 20 0 BCADHN Cc1cc(CNC[C@@H](O)Cn2ccnn2)ccn1 ZINC000527722497 387677754 /nfs/dbraw/zinc/67/77/54/387677754.db2.gz WVUHCWGNUKQLNW-GFCCVEGCSA-N 0 3 247.302 0.132 20 0 BCADHN CCn1nncc1CN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000527727168 387677869 /nfs/dbraw/zinc/67/78/69/387677869.db2.gz HERPBHYUPFPNHU-FXPVBKGRSA-N 0 3 224.308 0.954 20 0 BCADHN CCCN(C)C(=O)NC[C@H](C)N(C)C ZINC000451923973 387680206 /nfs/dbraw/zinc/68/02/06/387680206.db2.gz COOUKERLAIGJIV-VIFPVBQESA-N 0 3 201.314 0.988 20 0 BCADHN Cc1nc(C)n(C[C@@H]2CCCN2C[C@H](C)O)n1 ZINC000376941734 387680816 /nfs/dbraw/zinc/68/08/16/387680816.db2.gz SJMWYCOFIDBRJJ-CABZTGNLSA-N 0 3 238.335 0.740 20 0 BCADHN C[C@H](NCCCS(C)(=O)=O)c1cnn(C)c1 ZINC000044499907 387682753 /nfs/dbraw/zinc/68/27/53/387682753.db2.gz VHMVKPDAAUUTCR-VIFPVBQESA-N 0 3 245.348 0.505 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@@](C)(O)CC ZINC000451942091 387682888 /nfs/dbraw/zinc/68/28/88/387682888.db2.gz ASSRRGPJALGMCK-MXWKQRLJSA-N 0 3 217.309 0.541 20 0 BCADHN CC[C@@H](C(=O)N(C)C[C@@H](C)C(=O)OC)N(C)C ZINC000126404694 387683900 /nfs/dbraw/zinc/68/39/00/387683900.db2.gz NSCHQVAJMVGASE-ZJUUUORDSA-N 0 3 244.335 0.594 20 0 BCADHN Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3N)C2)c1 ZINC000424139079 387685360 /nfs/dbraw/zinc/68/53/60/387685360.db2.gz DWEIPBLJDXYPMM-UTUOFQBUSA-N 0 3 248.330 0.702 20 0 BCADHN COC[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)C1CC1 ZINC000126538675 387685369 /nfs/dbraw/zinc/68/53/69/387685369.db2.gz HUHFIRWSXDNTLT-NXEZZACHSA-N 0 3 240.303 0.148 20 0 BCADHN CCN(CCC(=O)OC)C(=O)CN(C)C(C)C ZINC000126495580 387686110 /nfs/dbraw/zinc/68/61/10/387686110.db2.gz MDRYXQBCUNPKGM-UHFFFAOYSA-N 0 3 244.335 0.738 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@@H]1CCCCO1 ZINC000451945142 387687256 /nfs/dbraw/zinc/68/72/56/387687256.db2.gz SAEBLQMKKSNOBB-QJPTWQEYSA-N 0 3 229.320 0.949 20 0 BCADHN Cn1nccc1CN[C@H]1CCN(C2CC2)C1 ZINC000044686070 387689576 /nfs/dbraw/zinc/68/95/76/387689576.db2.gz GBBWXWYERHYRMX-JTQLQIEISA-N 0 3 220.320 0.746 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H](O)C1CCC1 ZINC000451978962 387692556 /nfs/dbraw/zinc/69/25/56/387692556.db2.gz QBYIJIQBZPQTTC-WPRPVWTQSA-N 0 3 214.309 0.214 20 0 BCADHN CCn1nccc1CNC[C@H](O)[C@@H]1CCCO1 ZINC000527755716 387693273 /nfs/dbraw/zinc/69/32/73/387693273.db2.gz CMDRQGXIITVUND-RYUDHWBXSA-N 0 3 239.319 0.533 20 0 BCADHN C[C@@H]1CN(CCO)CCN1CCC1CC1 ZINC000452111162 387742660 /nfs/dbraw/zinc/74/26/60/387742660.db2.gz BPVIKWMCIVTNGT-LLVKDONJSA-N 0 3 212.337 0.785 20 0 BCADHN Cc1cc(=O)[nH]c(C(=O)NC[C@@H](C)N(C)C)c1 ZINC000431965880 387742951 /nfs/dbraw/zinc/74/29/51/387742951.db2.gz RQDVFWBEHHIPDL-SECBINFHSA-N 0 3 237.303 0.776 20 0 BCADHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1cnnn1C ZINC000367688582 387742843 /nfs/dbraw/zinc/74/28/43/387742843.db2.gz PIKVQIXSRZJDQW-WXDOIIRRSA-N 0 3 248.330 0.670 20 0 BCADHN Cc1noc(C)c1CN1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000377726063 387743104 /nfs/dbraw/zinc/74/31/04/387743104.db2.gz ONIBNPQOXGIFID-MNOVXSKESA-N 0 3 249.314 0.859 20 0 BCADHN CC(=O)c1ccc(C(=O)NC[C@@H](C)N(C)C)[nH]1 ZINC000431959239 387743752 /nfs/dbraw/zinc/74/37/52/387743752.db2.gz RLLXPKALJBLCKZ-MRVPVSSYSA-N 0 3 237.303 0.897 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000356909257 387744813 /nfs/dbraw/zinc/74/48/13/387744813.db2.gz CGOVWWXEIJCGAU-DOLQZWNJSA-N 0 3 240.303 0.004 20 0 BCADHN COC[C@@H](O)CN1CCC(n2cccn2)CC1 ZINC000367704054 387744899 /nfs/dbraw/zinc/74/48/99/387744899.db2.gz HVXKXOJLTTXQSR-LBPRGKRZSA-N 0 3 239.319 0.527 20 0 BCADHN CCONC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000367707872 387746616 /nfs/dbraw/zinc/74/66/16/387746616.db2.gz YOMIVTKKKAEFNW-UWVGGRQHSA-N 0 3 227.308 0.674 20 0 BCADHN CCONC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000367707871 387747573 /nfs/dbraw/zinc/74/75/73/387747573.db2.gz YOMIVTKKKAEFNW-NXEZZACHSA-N 0 3 227.308 0.674 20 0 BCADHN CC(C)(C)NC(=O)CN1CC[C@H](CCCO)C1 ZINC000452121207 387750973 /nfs/dbraw/zinc/75/09/73/387750973.db2.gz GKRVIVZNZBZDMC-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN COC[C@@H]1CCN1C(=O)NCCN(C)C1CC1 ZINC000432088363 387753467 /nfs/dbraw/zinc/75/34/67/387753467.db2.gz IYFZKAGZRVKUEC-NSHDSACASA-N 0 3 241.335 0.511 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H](O)[C@H]1CCCO1 ZINC000527759762 387697526 /nfs/dbraw/zinc/69/75/26/387697526.db2.gz VEOUCGNEUHCETD-GHMZBOCLSA-N 0 3 225.292 0.348 20 0 BCADHN CC(C(=O)NCC[C@H](C)F)S(C)(=O)=O ZINC000356678455 387698043 /nfs/dbraw/zinc/69/80/43/387698043.db2.gz QASHYRFCZVFULO-NKWVEPMBSA-N 0 3 225.285 0.284 20 0 BCADHN O[C@@H](CNCc1cccnc1)[C@@H]1CCCO1 ZINC000527759402 387698162 /nfs/dbraw/zinc/69/81/62/387698162.db2.gz PQGRHPKGZZFBAE-RYUDHWBXSA-N 0 3 222.288 0.711 20 0 BCADHN C[C@H](F)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000356683869 387700287 /nfs/dbraw/zinc/70/02/87/387700287.db2.gz YELXDBKLYWAXBT-WDEREUQCSA-N 0 3 243.326 0.241 20 0 BCADHN C[C@@H](F)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000356683854 387700314 /nfs/dbraw/zinc/70/03/14/387700314.db2.gz YELXDBKLYWAXBT-GHMZBOCLSA-N 0 3 243.326 0.241 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000377882495 387754948 /nfs/dbraw/zinc/75/49/48/387754948.db2.gz FNLFQBCJLOHADU-GARJFASQSA-N 0 3 226.320 0.479 20 0 BCADHN CCO[C@@H]1CCC[C@H]1N[C@@H]1CCN(C)C1=O ZINC000452022909 387702294 /nfs/dbraw/zinc/70/22/94/387702294.db2.gz QAYQJQFUIOWLBY-GMTAPVOTSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H](NCCCS(N)(=O)=O)c1ccccn1 ZINC000045066400 387702935 /nfs/dbraw/zinc/70/29/35/387702935.db2.gz AHXPOUOPUXKYGH-SECBINFHSA-N 0 3 243.332 0.411 20 0 BCADHN NC(=O)c1cccc(CNCC2COC2)c1 ZINC000527817634 387707556 /nfs/dbraw/zinc/70/75/56/387707556.db2.gz OGQZHYLGCGOCLZ-UHFFFAOYSA-N 0 3 220.272 0.522 20 0 BCADHN CC(C)(C)NC(=O)CN1CC[C@@](O)(C2CC2)C1 ZINC000377269029 387708789 /nfs/dbraw/zinc/70/87/89/387708789.db2.gz VUQKIGFQGZNVRL-ZDUSSCGKSA-N 0 3 240.347 0.748 20 0 BCADHN CCN(CC[C@@H]1CCCO1)[C@H]1CCNC1=O ZINC000440958372 387713842 /nfs/dbraw/zinc/71/38/42/387713842.db2.gz KBRGWUSRTKUEFW-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN COC[C@H](O)CCNCc1c(C)noc1C ZINC000127490489 387715426 /nfs/dbraw/zinc/71/54/26/387715426.db2.gz CZNVTRAWGNJLAN-SNVBAGLBSA-N 0 3 228.292 0.778 20 0 BCADHN CCO[C@@H]1C[C@H](NC2COC2)C12CCOCC2 ZINC000377408696 387716003 /nfs/dbraw/zinc/71/60/03/387716003.db2.gz GCRLYRNWGDFXMY-NWDGAFQWSA-N 0 3 241.331 0.949 20 0 BCADHN C(NC1COC1)[C@@H]1CCC[C@@H]1N1CCOCC1 ZINC000367480016 387716440 /nfs/dbraw/zinc/71/64/40/387716440.db2.gz HBELMIRZKAUDMW-AAEUAGOBSA-N 0 3 240.347 0.476 20 0 BCADHN CCN(CCN1CCCCC1)[C@@H]1CCNC1=O ZINC000440951187 387716836 /nfs/dbraw/zinc/71/68/36/387716836.db2.gz CTIUFUCTGVFMIZ-GFCCVEGCSA-N 0 3 239.363 0.683 20 0 BCADHN CCN(CCC[C@H](C)O)[C@@H]1CCNC1=O ZINC000440953622 387716879 /nfs/dbraw/zinc/71/68/79/387716879.db2.gz HJTZPNJVAMZZKD-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN CNC(=O)c1cccc(CN(C)CCCO)c1 ZINC000440971428 387718491 /nfs/dbraw/zinc/71/84/91/387718491.db2.gz ZMWRGGPZGVRPGH-UHFFFAOYSA-N 0 3 236.315 0.860 20 0 BCADHN CCN(CC)CC(=O)N1CCCN(C)CC1 ZINC000377454556 387718551 /nfs/dbraw/zinc/71/85/51/387718551.db2.gz QFDGYCHFWLMUPG-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN CCN(CC1(C)COC1)[C@@H]1CCNC1=O ZINC000440964265 387719133 /nfs/dbraw/zinc/71/91/33/387719133.db2.gz NYFVEGIRKSGOFT-SECBINFHSA-N 0 3 212.293 0.233 20 0 BCADHN CCN(CCCSC)[C@H]1CCNC1=O ZINC000440969870 387720262 /nfs/dbraw/zinc/72/02/62/387720262.db2.gz QQQSTLMNSBDOIF-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN CCOCCCN(CC)[C@H]1CCNC1=O ZINC000440961439 387720274 /nfs/dbraw/zinc/72/02/74/387720274.db2.gz AUHTZPCCHAVAQC-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1N ZINC000424142146 387721297 /nfs/dbraw/zinc/72/12/97/387721297.db2.gz HXYQJPBQNDQEIU-MNOVXSKESA-N 0 3 219.288 0.777 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NCC1COC1 ZINC000527798696 387722420 /nfs/dbraw/zinc/72/24/20/387722420.db2.gz RRBOWWVVYPRUKA-JTQLQIEISA-N 0 3 227.308 0.026 20 0 BCADHN CCCC(=O)N1CCCN(CCN(C)C)CC1 ZINC000377536485 387722443 /nfs/dbraw/zinc/72/24/43/387722443.db2.gz CIHDKGVXDAIUIQ-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN C[C@H]1C[C@H](O)CN(CCOCC(F)F)C1 ZINC000452071977 387726023 /nfs/dbraw/zinc/72/60/23/387726023.db2.gz SSEJKCRKGZVPRU-IUCAKERBSA-N 0 3 223.263 0.971 20 0 BCADHN CN(CCN1C[C@H]2CC[C@@H](C1)O2)C1(CO)CC1 ZINC000367571221 387727227 /nfs/dbraw/zinc/72/72/27/387727227.db2.gz AIGCKLLMMASSCK-TXEJJXNPSA-N 0 3 240.347 0.306 20 0 BCADHN Cc1ncoc1C(=O)N(C)CCN(C)C ZINC000431709703 387727334 /nfs/dbraw/zinc/72/73/34/387727334.db2.gz PDWPBQBYYGCVRI-UHFFFAOYSA-N 0 3 211.265 0.617 20 0 BCADHN CCCCOCCNC(=O)C1(N)CCOCC1 ZINC000127858346 387729152 /nfs/dbraw/zinc/72/91/52/387729152.db2.gz XSNZKVILIYQHBY-UHFFFAOYSA-N 0 3 244.335 0.427 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@H](CC(N)=O)C1 ZINC000377603181 387729858 /nfs/dbraw/zinc/72/98/58/387729858.db2.gz GFZJKKWTDQKBHL-SNVBAGLBSA-N 0 3 241.335 0.052 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCC2(CCC2)CC1 ZINC000367602083 387733944 /nfs/dbraw/zinc/73/39/44/387733944.db2.gz IELQZOMQAONGLX-SECBINFHSA-N 0 3 239.319 0.836 20 0 BCADHN O=C1C[C@H]2CC[C@@H](C1)N2CCC1OCCO1 ZINC000377650407 387735230 /nfs/dbraw/zinc/73/52/30/387735230.db2.gz IRMCCLLXCYUKMQ-AOOOYVTPSA-N 0 3 225.288 0.945 20 0 BCADHN CS(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000046036611 387735984 /nfs/dbraw/zinc/73/59/84/387735984.db2.gz PANOJVZCFGKTCB-DTWKUNHWSA-N 0 3 218.322 0.162 20 0 BCADHN O=C1NC[C@H]2CN(CCc3cccnc3)CC[C@@H]12 ZINC000377646990 387736709 /nfs/dbraw/zinc/73/67/09/387736709.db2.gz SHSJLHRKRBKBTQ-QWHCGFSZSA-N 0 3 245.326 0.692 20 0 BCADHN O=C1NC[C@@H]2CN(CCc3cccnc3)CC[C@@H]12 ZINC000377646988 387737375 /nfs/dbraw/zinc/73/73/75/387737375.db2.gz SHSJLHRKRBKBTQ-CHWSQXEVSA-N 0 3 245.326 0.692 20 0 BCADHN CN(C)CCN(C(=O)C1CCOCC1)C1CC1 ZINC000356881370 387739515 /nfs/dbraw/zinc/73/95/15/387739515.db2.gz MFXQEKKOGPORDD-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](CN1CCOCC1)N1CCCOCC1 ZINC000367662370 387740402 /nfs/dbraw/zinc/74/04/02/387740402.db2.gz WIKHFYISYWYMEM-GFCCVEGCSA-N 0 3 228.336 0.429 20 0 BCADHN CC(C)[C@](C)(O)CN1C[C@H]2OCCN(C)[C@H]2C1 ZINC000377675495 387741284 /nfs/dbraw/zinc/74/12/84/387741284.db2.gz GXAHFCYXTLSNNH-YNEHKIRRSA-N 0 3 242.363 0.408 20 0 BCADHN C[C@@H](N)C(=O)N(C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000378175676 387770223 /nfs/dbraw/zinc/77/02/23/387770223.db2.gz OLFNTHNZOWOHME-UTINFBMNSA-N 0 3 226.320 0.606 20 0 BCADHN CN(Cc1cnn(C)c1)C(=O)[C@]1(F)CCNC1 ZINC000378203848 387771363 /nfs/dbraw/zinc/77/13/63/387771363.db2.gz SQMXNFJXCOXTES-NSHDSACASA-N 0 3 240.282 0.080 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)N(C)CCCO)CCCN1C ZINC000442647148 387812036 /nfs/dbraw/zinc/81/20/36/387812036.db2.gz LFMHIRSOPQFRTG-MNOVXSKESA-N 0 3 243.351 0.493 20 0 BCADHN COC[C@@H](NC(=O)C1CCN(C)CC1)C1CC1 ZINC000441587611 387771761 /nfs/dbraw/zinc/77/17/61/387771761.db2.gz HKMXHUQHTCTLHB-GFCCVEGCSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H](N)C(=O)Nc1cc([C@@H]2C[C@H]2C)[nH]n1 ZINC000157256034 387775256 /nfs/dbraw/zinc/77/52/56/387775256.db2.gz CEGOQRQJXXGUPO-FSDSQADBSA-N 0 3 208.265 0.819 20 0 BCADHN CC(C(=O)N[C@H]1CC[C@@H](C)C1)S(C)(=O)=O ZINC000157247858 387775378 /nfs/dbraw/zinc/77/53/78/387775378.db2.gz CCCSCCFURDRJDQ-HLTSFMKQSA-N 0 3 233.333 0.724 20 0 BCADHN Cc1c(N[C@@H](C)C[C@H]2COCCN2)cnn1C ZINC000422925818 387780450 /nfs/dbraw/zinc/78/04/50/387780450.db2.gz VNURISQMSRGTIY-ONGXEEELSA-N 0 3 238.335 0.907 20 0 BCADHN C[C@H](N)C(=O)N1CCOC[C@H]1c1ccco1 ZINC000378491688 387787421 /nfs/dbraw/zinc/78/74/21/387787421.db2.gz FUVFAGNGNLTNPC-IUCAKERBSA-N 0 3 224.260 0.527 20 0 BCADHN CCn1nncc1CN[C@H](C)[C@@H](C)OC ZINC000527918851 387787906 /nfs/dbraw/zinc/78/79/06/387787906.db2.gz FBJNYPAZLVBUTJ-RKDXNWHRSA-N 0 3 212.297 0.811 20 0 BCADHN COCC[C@@H](C)NC(=O)[C@H](N)CCSC ZINC000157371286 387789941 /nfs/dbraw/zinc/78/99/41/387789941.db2.gz DHUXJGOJUYUDJX-RKDXNWHRSA-N 0 3 234.365 0.608 20 0 BCADHN C[C@H](CNC(=O)N(C)CCCO)N(C)C1CC1 ZINC000442149961 387789985 /nfs/dbraw/zinc/78/99/85/387789985.db2.gz NJNNBEBBJDBRFQ-SNVBAGLBSA-N 0 3 243.351 0.493 20 0 BCADHN CCCCN(C)CCNC(=O)N(C)CCCO ZINC000442150390 387790161 /nfs/dbraw/zinc/79/01/61/387790161.db2.gz POPJSNJBUMAKSH-UHFFFAOYSA-N 0 3 245.367 0.742 20 0 BCADHN COC[C@@H](C)CN[C@H](CO)c1cnn(C)c1 ZINC000309503606 387813044 /nfs/dbraw/zinc/81/30/44/387813044.db2.gz AJCFSJMEYDFEGL-GXSJLCMTSA-N 0 3 227.308 0.326 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](CCO)C(C)C ZINC000157460466 387797524 /nfs/dbraw/zinc/79/75/24/387797524.db2.gz AFBNMZUUWSCXHN-VWYCJHECSA-N 0 3 230.352 0.883 20 0 BCADHN COC(=O)CCCN[C@H]1C(=O)NCC[C@@H]1C ZINC000193581039 387798129 /nfs/dbraw/zinc/79/81/29/387798129.db2.gz NIONQUNZTXUHRG-WCBMZHEXSA-N 0 3 228.292 0.054 20 0 BCADHN C[C@H]1CCNC(=O)[C@H]1NCCOCC(F)F ZINC000193652201 387799978 /nfs/dbraw/zinc/79/99/78/387799978.db2.gz ZDDXNQHIFSENFH-CBAPKCEASA-N 0 3 236.262 0.382 20 0 BCADHN Cc1cnccc1CCN1CC[C@H](NC(N)=O)C1 ZINC000645842870 387800263 /nfs/dbraw/zinc/80/02/63/387800263.db2.gz XCXWEVWCKXKOMC-LBPRGKRZSA-N 0 3 248.330 0.675 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](n2cccn2)C1 ZINC000424152706 387800233 /nfs/dbraw/zinc/80/02/33/387800233.db2.gz IUWRLHMJEBNALH-GARJFASQSA-N 0 3 234.303 0.394 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCN1CC=CCC1 ZINC000392883768 387802229 /nfs/dbraw/zinc/80/22/29/387802229.db2.gz PGKHSXYAAOSGEB-ZDUSSCGKSA-N 0 3 239.363 0.882 20 0 BCADHN CCN(CC)CC(=O)NC(CF)CF ZINC000452322135 387802565 /nfs/dbraw/zinc/80/25/65/387802565.db2.gz OKQQCOBONJZQPT-UHFFFAOYSA-N 0 3 208.252 0.752 20 0 BCADHN CS[C@@H](CO)[C@@H](C)NCc1cncnc1 ZINC000152439316 387802758 /nfs/dbraw/zinc/80/27/58/387802758.db2.gz HGDLSQUPTJFBCX-SCZZXKLOSA-N 0 3 227.333 0.679 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000527999184 387805454 /nfs/dbraw/zinc/80/54/54/387805454.db2.gz CRDJOWFEVGUFBD-NMUGVGKYSA-N 0 3 249.376 0.821 20 0 BCADHN C[C@H](NC[C@@]1(O)CCN(C)C1)c1ccoc1 ZINC000309503243 387809317 /nfs/dbraw/zinc/80/93/17/387809317.db2.gz BKWBMWSDKICXOB-JQWIXIFHSA-N 0 3 224.304 0.997 20 0 BCADHN COC[C@H](NC[C@@H](O)C(F)(F)F)C1CC1 ZINC000151237354 387810467 /nfs/dbraw/zinc/81/04/67/387810467.db2.gz HMNWWSYBZNLFIG-JGVFFNPUSA-N 0 3 227.226 0.924 20 0 BCADHN CC1(C(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000452382193 387811383 /nfs/dbraw/zinc/81/13/83/387811383.db2.gz LRJQCLGWYIIGHG-LLVKDONJSA-N 0 3 240.347 0.750 20 0 BCADHN COCC1(C)CN(C[C@@H](O)CSC)C1 ZINC000432752016 387811479 /nfs/dbraw/zinc/81/14/79/387811479.db2.gz HMABZJREAHHMML-SECBINFHSA-N 0 3 219.350 0.679 20 0 BCADHN CC(C)OC[C@H](CO)N(C)C[C@H](O)C(C)C ZINC000432788016 387820607 /nfs/dbraw/zinc/82/06/07/387820607.db2.gz VRYNXGOZGYPNHQ-RYUDHWBXSA-N 0 3 233.352 0.721 20 0 BCADHN CC(C)NC(=O)NCCN1C[C@H](C)[C@H](O)C1 ZINC000645844575 387821228 /nfs/dbraw/zinc/82/12/28/387821228.db2.gz CEOVGBWCDOYOAN-VHSXEESVSA-N 0 3 229.324 0.007 20 0 BCADHN CC[C@H](C(=O)NCCC(C)(C)CO)N(C)C ZINC000452433492 387825141 /nfs/dbraw/zinc/82/51/41/387825141.db2.gz QAZOTOPRJBHGLT-SNVBAGLBSA-N 0 3 230.352 0.851 20 0 BCADHN Cc1cc(C)n(CCCNCc2cnnn2C)n1 ZINC000135845876 387825371 /nfs/dbraw/zinc/82/53/71/387825371.db2.gz APRZZSHBCMESDY-UHFFFAOYSA-N 0 3 248.334 0.808 20 0 BCADHN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1N ZINC000424157166 387826332 /nfs/dbraw/zinc/82/63/32/387826332.db2.gz QTKRPNMQKJEPSZ-TUAOUCFPSA-N 0 3 248.330 0.530 20 0 BCADHN CC[C@@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)OC ZINC000040457672 387827655 /nfs/dbraw/zinc/82/76/55/387827655.db2.gz UEWPOYCHGCGVJS-CSMHCCOUSA-N 0 3 216.281 0.038 20 0 BCADHN CCCC[C@@H](N)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000442721948 387828596 /nfs/dbraw/zinc/82/85/96/387828596.db2.gz WQOLUGWDLMMKEM-MRVPVSSYSA-N 0 3 238.291 0.570 20 0 BCADHN CC(C)[C@H](O)CN(C)[C@]1(CO)CCOC1 ZINC000432868701 387835361 /nfs/dbraw/zinc/83/53/61/387835361.db2.gz WVLYGQYFFPNXJK-MNOVXSKESA-N 0 3 217.309 0.087 20 0 BCADHN CC(C)[C@@H](O)CN(C)[C@@]1(CO)CCOC1 ZINC000432868703 387836304 /nfs/dbraw/zinc/83/63/04/387836304.db2.gz WVLYGQYFFPNXJK-WDEREUQCSA-N 0 3 217.309 0.087 20 0 BCADHN CN(CC(F)F)C(=O)[C@@H]1CCCCN1 ZINC000157558032 387837830 /nfs/dbraw/zinc/83/78/30/387837830.db2.gz IETSTHQLWKWXHL-ZETCQYMHSA-N 0 3 206.236 0.852 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)C[C@H]1CCCO1 ZINC000433162460 387873537 /nfs/dbraw/zinc/87/35/37/387873537.db2.gz ZTEQWBUYXBQTLZ-VXGBXAGGSA-N 0 3 231.336 0.883 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H]1CC[C@@H](CO)C1)N(C)C ZINC000452487324 387839358 /nfs/dbraw/zinc/83/93/58/387839358.db2.gz BOQIBBQLBDPSBJ-WOPDTQHZSA-N 0 3 242.363 0.850 20 0 BCADHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1cccnn1 ZINC000528118523 387842473 /nfs/dbraw/zinc/84/24/73/387842473.db2.gz ZNAGFRFHGXJRQI-JTQLQIEISA-N 0 3 246.314 0.691 20 0 BCADHN COc1nccnc1CN[C@@H]1CCCN(C)C1 ZINC000648432576 387843998 /nfs/dbraw/zinc/84/39/98/387843998.db2.gz ZCSSWYQOUHVSFA-SNVBAGLBSA-N 0 3 236.319 0.669 20 0 BCADHN CCC(=O)N[C@@H]1CCCN(C[C@@H](O)C(C)C)C1 ZINC000432942996 387846530 /nfs/dbraw/zinc/84/65/30/387846530.db2.gz FGCYIMRHVWTYGZ-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1ncc(CN[C@H](C)C[C@@H](C)[NH3+])c(=O)[n-]1 ZINC000423028806 387846752 /nfs/dbraw/zinc/84/67/52/387846752.db2.gz HEQVPAJUGKVQHZ-HTQZYQBOSA-N 0 3 224.308 0.706 20 0 BCADHN CNC(=O)C[C@H](C)N[C@H](COC)[C@H]1CCCO1 ZINC000433007725 387849197 /nfs/dbraw/zinc/84/91/97/387849197.db2.gz MGGZPHPIVVWMMY-HBNTYKKESA-N 0 3 244.335 0.295 20 0 BCADHN C[C@@H](N)C(=O)N(C)CCCn1ccnc1 ZINC000157640638 387861208 /nfs/dbraw/zinc/86/12/08/387861208.db2.gz NRNDDDMVMQJBPI-SECBINFHSA-N 0 3 210.281 0.079 20 0 BCADHN C[C@H](O)CCNC(=O)[C@H](N)C(C)(C)C ZINC000157673807 387863874 /nfs/dbraw/zinc/86/38/74/387863874.db2.gz VWLAZDHAROSDMB-YUMQZZPRSA-N 0 3 202.298 0.247 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)[C@@H]1CCCCN1 ZINC000157695618 387864637 /nfs/dbraw/zinc/86/46/37/387864637.db2.gz HNXAGHTWEXVDGY-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000424171535 387864670 /nfs/dbraw/zinc/86/46/70/387864670.db2.gz MBEFBLJUSTYHEV-OUAUKWLOSA-N 0 3 246.314 0.124 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@@H](N)C(C)(C)C ZINC000157742885 387868885 /nfs/dbraw/zinc/86/88/85/387868885.db2.gz QPLMPHPNPQGYIS-DTWKUNHWSA-N 0 3 216.325 0.637 20 0 BCADHN CSC[C@@H](C)NC(=O)[C@H]1CCCCN1 ZINC000157736466 387869380 /nfs/dbraw/zinc/86/93/80/387869380.db2.gz YATPSTZOEPRWHD-RKDXNWHRSA-N 0 3 216.350 0.996 20 0 BCADHN CCOC[C@@H](O)CN(C)[C@H](CO)COC(C)C ZINC000433151935 387870858 /nfs/dbraw/zinc/87/08/58/387870858.db2.gz JZWRZOUKHYXIPP-NEPJUHHUSA-N 0 3 249.351 0.102 20 0 BCADHN CCOCC[C@@H](O)CN1CC(C)(COC)C1 ZINC000432754041 387814235 /nfs/dbraw/zinc/81/42/35/387814235.db2.gz XWRQYLFHENKPKW-LLVKDONJSA-N 0 3 231.336 0.742 20 0 BCADHN CCCC(=O)NC[C@@H]1CCCCN1CCO ZINC000452384008 387814340 /nfs/dbraw/zinc/81/43/40/387814340.db2.gz BJUDLWFOYUHCHY-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN CC[C@@H](C)CNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000422966863 387815474 /nfs/dbraw/zinc/81/54/74/387815474.db2.gz ATYRGYLNEBOGGN-PSASIEDQSA-N 0 3 241.335 0.002 20 0 BCADHN CC[C@@H](C)CNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000422966864 387816658 /nfs/dbraw/zinc/81/66/58/387816658.db2.gz ATYRGYLNEBOGGN-SCZZXKLOSA-N 0 3 241.335 0.002 20 0 BCADHN COCCCOCCN(C)C[C@H](O)C(C)C ZINC000432781198 387816987 /nfs/dbraw/zinc/81/69/87/387816987.db2.gz NCPQAAPIDXXHRR-LBPRGKRZSA-N 0 3 233.352 0.988 20 0 BCADHN COCCCOCCN(C)C[C@@H](O)C(C)C ZINC000432781195 387817260 /nfs/dbraw/zinc/81/72/60/387817260.db2.gz NCPQAAPIDXXHRR-GFCCVEGCSA-N 0 3 233.352 0.988 20 0 BCADHN CC(C)[C@@H](O)CN1CCN(CCO)[C@H](C)C1 ZINC000432791585 387819142 /nfs/dbraw/zinc/81/91/42/387819142.db2.gz GWEISQGNENNMKW-NEPJUHHUSA-N 0 3 230.352 0.002 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@@H](N)CC(C)C ZINC000158080426 387889826 /nfs/dbraw/zinc/88/98/26/387889826.db2.gz KINXGRBRBTXOTG-UWVGGRQHSA-N 0 3 216.325 0.637 20 0 BCADHN O=C(CN[C@H]1CCO[C@H]1C1CC1)NCC1CC1 ZINC000236391617 387890258 /nfs/dbraw/zinc/89/02/58/387890258.db2.gz JHOMFSIHUUGCOQ-AAEUAGOBSA-N 0 3 238.331 0.670 20 0 BCADHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)NCC1CC1 ZINC000236390077 387890282 /nfs/dbraw/zinc/89/02/82/387890282.db2.gz JHOMFSIHUUGCOQ-DGCLKSJQSA-N 0 3 238.331 0.670 20 0 BCADHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)N1CCCC1 ZINC000236390120 387890707 /nfs/dbraw/zinc/89/07/07/387890707.db2.gz AUXBLROZNCODHD-YPMHNXCESA-N 0 3 238.331 0.766 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCC[C@@H](O)CC ZINC000158092731 387894221 /nfs/dbraw/zinc/89/42/21/387894221.db2.gz XAISGNCTRJGOHO-GXSJLCMTSA-N 0 3 216.325 0.781 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@H]1CCNCC1(F)F ZINC000424182159 387897033 /nfs/dbraw/zinc/89/70/33/387897033.db2.gz YSAUEMBGRDBEMF-RKDXNWHRSA-N 0 3 249.305 0.331 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NCC=C(C)C ZINC000423076755 387876381 /nfs/dbraw/zinc/87/63/81/387876381.db2.gz ZPZZJOGWBRKQFS-GHMZBOCLSA-N 0 3 226.320 0.836 20 0 BCADHN CC[C@@H](C(=O)NCCN1CCC1)N(CC)CC ZINC000443971537 387880422 /nfs/dbraw/zinc/88/04/22/387880422.db2.gz KUHZNZISCURTKW-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CC(C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000152722242 387886107 /nfs/dbraw/zinc/88/61/07/387886107.db2.gz JLTHOZQLVPFEOS-SNVBAGLBSA-N 0 3 202.298 0.071 20 0 BCADHN CCCCC(=O)NC[C@](C)(O)CN(C)C ZINC000152722336 387886140 /nfs/dbraw/zinc/88/61/40/387886140.db2.gz OZBXNZNRFQYRGS-NSHDSACASA-N 0 3 216.325 0.605 20 0 BCADHN CC1(O)CC(C(=O)NCCN2CCCCC2)C1 ZINC000448707022 387888203 /nfs/dbraw/zinc/88/82/03/387888203.db2.gz IXGGKUVVLGTGIV-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN CNCC(=O)NCC1CCSCC1 ZINC000158038195 387889130 /nfs/dbraw/zinc/88/91/30/387889130.db2.gz CJSCVAGXDFSRMF-UHFFFAOYSA-N 0 3 202.323 0.465 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H](C)O)C1 ZINC000533016639 387917773 /nfs/dbraw/zinc/91/77/73/387917773.db2.gz JIFNPHMCXXQFOB-NWDGAFQWSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)NC(=O)NCCN1CCCC[C@@H]1CO ZINC000645776640 387899672 /nfs/dbraw/zinc/89/96/72/387899672.db2.gz HJIAWNFUFUAQLF-LLVKDONJSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H](C)Oc1ccccc1 ZINC000154561828 387900049 /nfs/dbraw/zinc/90/00/49/387900049.db2.gz NFBYYUXDCPIUDR-VHSXEESVSA-N 0 3 222.288 0.917 20 0 BCADHN CCN(CC)CC(=O)NCC1CCOCC1 ZINC000194981932 387901854 /nfs/dbraw/zinc/90/18/54/387901854.db2.gz GLWOZSFSVOHHGJ-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CC(C)N(C)CC(=O)NCC1CCOCC1 ZINC000194981742 387902576 /nfs/dbraw/zinc/90/25/76/387902576.db2.gz XFPKCKDYYDDECB-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN CCOCC[C@H](O)CN[C@H](C(N)=O)C(C)(C)C ZINC000444662859 387903747 /nfs/dbraw/zinc/90/37/47/387903747.db2.gz NQHOFYKJUMPCOY-VHSXEESVSA-N 0 3 246.351 0.264 20 0 BCADHN OC[C@H]1CCCCN1C[C@H](O)CC1(O)CCC1 ZINC000528349622 387905582 /nfs/dbraw/zinc/90/55/82/387905582.db2.gz IMVXNPGHALVFQU-VXGBXAGGSA-N 0 3 243.347 0.499 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000423128198 387905739 /nfs/dbraw/zinc/90/57/39/387905739.db2.gz KQGMIUPMINNYRC-OPRDCNLKSA-N 0 3 242.319 0.300 20 0 BCADHN CCOCC[C@H](O)CN1C[C@H](C)N(C)C[C@H]1C ZINC000444678562 387906750 /nfs/dbraw/zinc/90/67/50/387906750.db2.gz ZFGYQIWHNIQJAP-XQQFMLRXSA-N 0 3 244.379 0.798 20 0 BCADHN CCOCC[C@@H](O)CN1CC[C@@H](O)C(C)(C)C1 ZINC000444676364 387907002 /nfs/dbraw/zinc/90/70/02/387907002.db2.gz ULDXYNSBEKRKDL-VXGBXAGGSA-N 0 3 245.363 0.867 20 0 BCADHN CC[C@](C)(CN[C@@H]1COC[C@@H]1O)OC ZINC000322585995 387907626 /nfs/dbraw/zinc/90/76/26/387907626.db2.gz FDINZHLOPVPJKT-KXUCPTDWSA-N 0 3 203.282 0.151 20 0 BCADHN CC(=O)N1CC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000236817440 387907880 /nfs/dbraw/zinc/90/78/80/387907880.db2.gz FPRMZOOGAXQMNM-VHSXEESVSA-N 0 3 241.335 0.097 20 0 BCADHN CC1CCN(CC(=O)NCCN(C)C)CC1 ZINC000195131862 387908948 /nfs/dbraw/zinc/90/89/48/387908948.db2.gz YGKUSOOBSSIFPH-UHFFFAOYSA-N 0 3 227.352 0.396 20 0 BCADHN O[C@H]1CN(CCCC2CCCC2)C[C@@H]1O ZINC000444697705 387913049 /nfs/dbraw/zinc/91/30/49/387913049.db2.gz BTGQMGDREKTMOZ-RYUDHWBXSA-N 0 3 213.321 0.994 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)CC(=O)OC ZINC000236910941 387914207 /nfs/dbraw/zinc/91/42/07/387914207.db2.gz YDNAVXWMPAHMRS-XKSSXDPKSA-N 0 3 230.308 0.428 20 0 BCADHN CCOCCOCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000236908794 387914334 /nfs/dbraw/zinc/91/43/34/387914334.db2.gz GNHJDMOXDIANSF-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H](O)CN1CCN(CC[C@H]2CCOC2)CC1 ZINC000438282312 387919685 /nfs/dbraw/zinc/91/96/85/387919685.db2.gz UXWOOLYKDFWPLW-OLZOCXBDSA-N 0 3 242.363 0.411 20 0 BCADHN Cc1nccn1CCCCN1C[C@@H](O)[C@@H](O)C1 ZINC000444710934 387915488 /nfs/dbraw/zinc/91/54/88/387915488.db2.gz WDKWKCBUHFBNNQ-TXEJJXNPSA-N 0 3 239.319 0.009 20 0 BCADHN C[C@@H]1C[C@H](C)CN1CC(=O)N1CCNC1=O ZINC000532973405 387915790 /nfs/dbraw/zinc/91/57/90/387915790.db2.gz ZXFYSIOMZVKYDC-DTWKUNHWSA-N 0 3 225.292 0.269 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@]1(C)CCCCN1 ZINC000237073017 387917341 /nfs/dbraw/zinc/91/73/41/387917341.db2.gz PQPAUMNZCVPNEQ-CABZTGNLSA-N 0 3 242.319 0.444 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NC[C@@H](CC)OC ZINC000423141632 387917352 /nfs/dbraw/zinc/91/73/52/387917352.db2.gz RAGYBQDEUAHNQF-GMTAPVOTSA-N 0 3 244.335 0.295 20 0 BCADHN NCC(=O)NCc1cccc(Cn2cccn2)c1 ZINC000237976567 387930994 /nfs/dbraw/zinc/93/09/94/387930994.db2.gz LPEILNYXSMCJHK-UHFFFAOYSA-N 0 3 244.298 0.506 20 0 BCADHN CC/C=C/CN[C@@H]1CCN[C@@H]1C(=O)OCC ZINC000423152772 387933030 /nfs/dbraw/zinc/93/30/30/387933030.db2.gz FPBZYUOHZKXKTP-PVTPVBHGSA-N 0 3 226.320 0.836 20 0 BCADHN CCN1C[C@@H](N[C@H](C)c2cnccc2N)CC1=O ZINC000423154925 387934785 /nfs/dbraw/zinc/93/47/85/387934785.db2.gz PPVZSKFQNDOZGJ-ZJUUUORDSA-N 0 3 248.330 0.766 20 0 BCADHN CC[C@@H](C(=O)N(C)CC(C)(C)CO)N(C)C ZINC000452900008 387936046 /nfs/dbraw/zinc/93/60/46/387936046.db2.gz GSBRNXOBVIEVRX-JTQLQIEISA-N 0 3 230.352 0.804 20 0 BCADHN CC[C@@](C)(CNCC(=O)N(C)C)OC ZINC000322609096 387936678 /nfs/dbraw/zinc/93/66/78/387936678.db2.gz KGRZMKYEGPJUEE-JTQLQIEISA-N 0 3 202.298 0.479 20 0 BCADHN C[C@@H](NCCCC(=O)N(C)C)c1cnn(C)c1 ZINC000177990456 387920926 /nfs/dbraw/zinc/92/09/26/387920926.db2.gz AYHHREYBLALROT-SNVBAGLBSA-N 0 3 238.335 0.939 20 0 BCADHN CCc1cc(=O)[n-]c(CN(C)[C@@H]2CC[NH2+]C2)n1 ZINC000514672933 387921363 /nfs/dbraw/zinc/92/13/63/387921363.db2.gz AUSLXEZWWUTYDQ-SNVBAGLBSA-N 0 3 236.319 0.538 20 0 BCADHN CN1CCC(C(=O)N[C@@H](CO)C(C)(C)C)CC1 ZINC000444754336 387921433 /nfs/dbraw/zinc/92/14/33/387921433.db2.gz BYOKEAKCKWQQLS-NSHDSACASA-N 0 3 242.363 0.851 20 0 BCADHN CNC(=O)CCCN(C)C(=O)[C@@H](N)CC(C)C ZINC000237124372 387921828 /nfs/dbraw/zinc/92/18/28/387921828.db2.gz FLAQCIOBHWIGNX-JTQLQIEISA-N 0 3 243.351 0.344 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCCN(CCC2CC2)C1 ZINC000533059642 387922731 /nfs/dbraw/zinc/92/27/31/387922731.db2.gz UYHVQLXACRUEKN-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@H](N)CC(C)C ZINC000237202481 387924078 /nfs/dbraw/zinc/92/40/78/387924078.db2.gz IKZSCZGDRUHWMH-RKDXNWHRSA-N 0 3 230.308 0.428 20 0 BCADHN CN(C)[C@H](CNC(=O)CN)Cc1ccccc1 ZINC000237191175 387924158 /nfs/dbraw/zinc/92/41/58/387924158.db2.gz IXOMEICPBZWBOA-LBPRGKRZSA-N 0 3 235.331 0.234 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@]1(C)CCCCN1 ZINC000237202814 387925401 /nfs/dbraw/zinc/92/54/01/387925401.db2.gz DZYHNYRRNJZSJU-SKDRFNHKSA-N 0 3 242.319 0.586 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCCCN1)c1cnn(C)c1 ZINC000237345006 387925542 /nfs/dbraw/zinc/92/55/42/387925542.db2.gz BQVLDQPPJMYYHN-KOLCDFICSA-N 0 3 236.319 0.739 20 0 BCADHN CCc1ncc(CN[C@@H]2CC[C@H]2O)cn1 ZINC000424198572 387926776 /nfs/dbraw/zinc/92/67/76/387926776.db2.gz JASKRBCEFKUFPF-NXEZZACHSA-N 0 3 207.277 0.652 20 0 BCADHN NCC(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000237975547 387927576 /nfs/dbraw/zinc/92/75/76/387927576.db2.gz CLQMZGMZRYYWKN-UHFFFAOYSA-N 0 3 244.298 0.506 20 0 BCADHN NC1(C(=O)NCC(=O)NC2CCCC2)CCC1 ZINC000645799257 387927622 /nfs/dbraw/zinc/92/76/22/387927622.db2.gz QSNOSUABUPIZKS-UHFFFAOYSA-N 0 3 239.319 0.043 20 0 BCADHN CCNC(=O)[C@@H](C)NC[C@](C)(CC)OC ZINC000322647016 387952185 /nfs/dbraw/zinc/95/21/85/387952185.db2.gz VXVXODYEOYRRKF-KOLCDFICSA-N 0 3 216.325 0.916 20 0 BCADHN CN(CCC[C@H]1CCOC1)[C@@H]1CCN(C)C1=O ZINC000645807236 387952264 /nfs/dbraw/zinc/95/22/64/387952264.db2.gz ONDAYCZPEUYYGG-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@H]1N[C@H]1CC1(C)C ZINC000423168429 387952326 /nfs/dbraw/zinc/95/23/26/387952326.db2.gz HJVKOELJAFUYGN-UTLUCORTSA-N 0 3 226.320 0.668 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@](C)(OC)C1 ZINC000300303504 387953800 /nfs/dbraw/zinc/95/38/00/387953800.db2.gz LELXPHRQROHFDN-KOLCDFICSA-N 0 3 214.309 0.751 20 0 BCADHN CC[C@@H]1[C@@H](CO)CCN1C(=O)CN(CC)CC ZINC000452938393 387940965 /nfs/dbraw/zinc/94/09/65/387940965.db2.gz FLVYSRLQCJCRBM-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN CCCNC(=O)CCN1CCN(CC)CC1 ZINC000243749432 387941453 /nfs/dbraw/zinc/94/14/53/387941453.db2.gz PVWFSDTXGYMDTD-UHFFFAOYSA-N 0 3 227.352 0.540 20 0 BCADHN CC[C@](C)(O)CN1CCC[C@@H](NC(C)=O)C1 ZINC000249086490 387942232 /nfs/dbraw/zinc/94/22/32/387942232.db2.gz FQUPYXJKMYLYBH-NEPJUHHUSA-N 0 3 228.336 0.748 20 0 BCADHN COC[C@H](O)CN1CCN2CCCC[C@H]2C1 ZINC000245539476 387956232 /nfs/dbraw/zinc/95/62/32/387956232.db2.gz LEGJMSMZHFLCPI-NWDGAFQWSA-N 0 3 228.336 0.164 20 0 BCADHN CC[C@](C)(CN[C@H]1CCS(=O)(=O)C1)OC ZINC000322622859 387945273 /nfs/dbraw/zinc/94/52/73/387945273.db2.gz OEMCTIQAYZDHGG-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CCN(C(=O)CN(C)C(C)C)C1COC1 ZINC000452968361 387947096 /nfs/dbraw/zinc/94/70/96/387947096.db2.gz CQHWCDNXOPFYSO-UHFFFAOYSA-N 0 3 214.309 0.574 20 0 BCADHN CCNC(=O)CN[C@@H]1C[C@H](OCC)[C@@H]1SC ZINC000459470356 387947174 /nfs/dbraw/zinc/94/71/74/387947174.db2.gz RZRFYFUFRJUWKP-WCABBAIRSA-N 0 3 246.376 0.621 20 0 BCADHN CC[C@H](C)[C@@H](C)NC(=O)C(=O)N(C)[C@H](C)CN ZINC000418925723 387947275 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387950059 /nfs/dbraw/zinc/95/00/59/387950059.db2.gz NGHJWQAVQZCWST-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)SCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000514688345 387951449 /nfs/dbraw/zinc/95/14/49/387951449.db2.gz HWDVJFIFQQGEGD-QWRGUYRKSA-N 0 3 233.377 0.803 20 0 BCADHN C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)O1 ZINC000453012810 387960976 /nfs/dbraw/zinc/96/09/76/387960976.db2.gz SKGGXFCOYYLBCB-WRWGMCAJSA-N 0 3 238.331 0.716 20 0 BCADHN CSC[C@@H](C)NC(=O)C[C@@H]1CSCCN1 ZINC000158725269 387962914 /nfs/dbraw/zinc/96/29/14/387962914.db2.gz RSSMWYFSWSGBJQ-RKDXNWHRSA-N 0 3 248.417 0.949 20 0 BCADHN CCO[C@@H](C)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453042464 387968593 /nfs/dbraw/zinc/96/85/93/387968593.db2.gz WBXXWLDKTOEXFC-GARJFASQSA-N 0 3 226.320 0.574 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CCCC[C@@H]1C(N)=O ZINC000445793239 387969038 /nfs/dbraw/zinc/96/90/38/387969038.db2.gz BXLZXEIJIKTYSE-UWVGGRQHSA-N 0 3 241.335 0.098 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)COCC3CC3)C[C@@H]21 ZINC000453041464 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/nfs/dbraw/zinc/01/75/04/388017504.db2.gz JLRDDYGRLBQVGF-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](O)C1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000446385876 388018396 /nfs/dbraw/zinc/01/83/96/388018396.db2.gz LOOSTDNCKFBCLX-DVVUODLYSA-N 0 3 244.310 0.306 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](F)CN2)CCO1 ZINC000446416192 388019466 /nfs/dbraw/zinc/01/94/66/388019466.db2.gz OGTJZRJWKUBLHV-XFWSIPNHSA-N 0 3 230.283 0.370 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](F)CN2)CCO1 ZINC000446416189 388019474 /nfs/dbraw/zinc/01/94/74/388019474.db2.gz OGTJZRJWKUBLHV-AATLWQCWSA-N 0 3 230.283 0.370 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](F)CN2)CCO1 ZINC000446416191 388019854 /nfs/dbraw/zinc/01/98/54/388019854.db2.gz OGTJZRJWKUBLHV-UTINFBMNSA-N 0 3 230.283 0.370 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@H]2CCOC2)[C@H]1OC ZINC000252790109 135110469 /nfs/dbraw/zinc/11/04/69/135110469.db2.gz SEGWLZXFKLRCLB-UKKRHICBSA-N 0 3 215.293 0.557 20 0 BCADHN COCCCNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108537093 388034091 /nfs/dbraw/zinc/03/40/91/388034091.db2.gz JKKONEQPAYIHJC-NSHDSACASA-N 0 3 243.351 0.664 20 0 BCADHN CN1CCC(C(=O)N(CCO)C2CCC2)CC1 ZINC000440167149 388034393 /nfs/dbraw/zinc/03/43/93/388034393.db2.gz AJMDTBLIWURYBM-UHFFFAOYSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H](N[C@H]1CCC(=O)NC1)c1cnn(C)c1 ZINC000082515239 388035466 /nfs/dbraw/zinc/03/54/66/388035466.db2.gz RDUPCMBUKLIHPN-SCZZXKLOSA-N 0 3 222.292 0.349 20 0 BCADHN COCCNCC(=O)NC(C1CC1)C1CC1 ZINC000082435591 388035519 /nfs/dbraw/zinc/03/55/19/388035519.db2.gz JZERWHPYGNARQT-UHFFFAOYSA-N 0 3 226.320 0.527 20 0 BCADHN COC1(CO)CCN(CC2=CCCOC2)CC1 ZINC000447069444 388051484 /nfs/dbraw/zinc/05/14/84/388051484.db2.gz VRHDUULRRIUCCM-UHFFFAOYSA-N 0 3 241.331 0.806 20 0 BCADHN COCC[C@@]1(NCc2cncn2C)CCOC1 ZINC000447063272 388052052 /nfs/dbraw/zinc/05/20/52/388052052.db2.gz KHLUFKFLAVFOAO-GFCCVEGCSA-N 0 3 239.319 0.705 20 0 BCADHN COCC[C@@]1(NCc2ccnn2C)CCOC1 ZINC000447064964 388052279 /nfs/dbraw/zinc/05/22/79/388052279.db2.gz CNOSIILDGGJBBP-GFCCVEGCSA-N 0 3 239.319 0.705 20 0 BCADHN COC[C@](C)(CC(=O)OC)NC[C@@H]1CCCO1 ZINC000440554208 388054475 /nfs/dbraw/zinc/05/44/75/388054475.db2.gz CPXZSJWTBYCJMD-JQWIXIFHSA-N 0 3 245.319 0.723 20 0 BCADHN OCCN1CCN(CC[C@@H]2CCCO2)CC1 ZINC000083530542 388055546 /nfs/dbraw/zinc/05/55/46/388055546.db2.gz IIOQPXFTHWWLKA-LBPRGKRZSA-N 0 3 228.336 0.165 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H](COC)C1CC1 ZINC000453356684 388057990 /nfs/dbraw/zinc/05/79/90/388057990.db2.gz NDVOEFGQTMEIQC-QJPTWQEYSA-N 0 3 229.320 0.805 20 0 BCADHN Cc1c([C@@H](C)NC(=O)C2(N)CC2)cnn1C ZINC000083834501 388062940 /nfs/dbraw/zinc/06/29/40/388062940.db2.gz MWZRJXRUVCLWBW-SSDOTTSWSA-N 0 3 222.292 0.397 20 0 BCADHN NC1(C(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000083834909 388063190 /nfs/dbraw/zinc/06/31/90/388063190.db2.gz VFRMYYPMSBLKHW-ZJUUUORDSA-N 0 3 224.304 0.648 20 0 BCADHN Cc1ncsc1CNC(=O)C1(N)CC1 ZINC000083836084 388063356 /nfs/dbraw/zinc/06/33/56/388063356.db2.gz OSLPRBNKHYVHDA-UHFFFAOYSA-N 0 3 211.290 0.559 20 0 BCADHN C[C@@H](CN1CCCCC1)NC(=O)C1(N)CC1 ZINC000083834470 388063730 /nfs/dbraw/zinc/06/37/30/388063730.db2.gz HIWGKKIDIWAIMN-JTQLQIEISA-N 0 3 225.336 0.468 20 0 BCADHN CNCC(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000083932054 388067402 /nfs/dbraw/zinc/06/74/02/388067402.db2.gz LFAQVUMOAOEUMD-JTQLQIEISA-N 0 3 238.262 0.985 20 0 BCADHN CC[C@H](N[C@@H](C)[C@H]1CCCO1)C(=O)NC ZINC000453388351 388067485 /nfs/dbraw/zinc/06/74/85/388067485.db2.gz CFASGNXYSLCFAJ-LPEHRKFASA-N 0 3 214.309 0.668 20 0 BCADHN CC[C@H](N[C@H](C)[C@H]1CCCO1)C(=O)NC ZINC000453388350 388067536 /nfs/dbraw/zinc/06/75/36/388067536.db2.gz CFASGNXYSLCFAJ-KXUCPTDWSA-N 0 3 214.309 0.668 20 0 BCADHN NCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000083960798 388068477 /nfs/dbraw/zinc/06/84/77/388068477.db2.gz NKOGTRFIIXVXTR-UHFFFAOYSA-N 0 3 239.363 0.670 20 0 BCADHN COCCO[C@H]1C[C@H](CO)CN(CCCF)C1 ZINC000447399405 388069310 /nfs/dbraw/zinc/06/93/10/388069310.db2.gz XNYSNJZFUXDEMF-RYUDHWBXSA-N 0 3 249.326 0.692 20 0 BCADHN CC[C@H](N[C@H](COC)C(C)C)C(=O)NC ZINC000453397998 388071458 /nfs/dbraw/zinc/07/14/58/388071458.db2.gz ITLUHEMMFZHARK-VHSXEESVSA-N 0 3 216.325 0.772 20 0 BCADHN CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC)C(=O)OC ZINC000084200089 388074272 /nfs/dbraw/zinc/07/42/72/388074272.db2.gz ZATFQFSLKYHPJE-CIUDSAMLSA-N 0 3 230.308 0.428 20 0 BCADHN Cc1cc(CNC[C@H]2CCC[C@@H]2O)n(C)n1 ZINC000084244850 388076433 /nfs/dbraw/zinc/07/64/33/388076433.db2.gz CFECLCGVJRSMBA-PWSUYJOCSA-N 0 3 223.320 0.979 20 0 BCADHN CC[C@@H](COC)N[C@@H]1CCC(=O)N(C)C1=O ZINC000084406655 388077860 /nfs/dbraw/zinc/07/78/60/388077860.db2.gz PRWSRBCVTGTUBH-DTWKUNHWSA-N 0 3 228.292 0.148 20 0 BCADHN Cn1cc(C(=O)NCCN2CCCC2)cn1 ZINC000055177340 388080376 /nfs/dbraw/zinc/08/03/76/388080376.db2.gz IXQQUPPKKDUBEF-UHFFFAOYSA-N 0 3 222.292 0.246 20 0 BCADHN CC[C@H](N[C@H]1CCOC1(C)C)C(=O)NC ZINC000453422226 388080716 /nfs/dbraw/zinc/08/07/16/388080716.db2.gz XEILNCLEBIOCDA-IUCAKERBSA-N 0 3 214.309 0.668 20 0 BCADHN COC[C@H](C)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000453424360 388080800 /nfs/dbraw/zinc/08/08/00/388080800.db2.gz GJROUFKEJAIYQI-DCAQKATOSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@@H](N[C@H]1CCOC1(C)C)C(=O)NC ZINC000453422223 388080920 /nfs/dbraw/zinc/08/09/20/388080920.db2.gz XEILNCLEBIOCDA-BDAKNGLRSA-N 0 3 214.309 0.668 20 0 BCADHN C[C@@H]1CC(NC(=O)C(=O)NCCN)C[C@@H](C)C1 ZINC000084971950 388082241 /nfs/dbraw/zinc/08/22/41/388082241.db2.gz QWCXAEKURFWBFB-IUCAKERBSA-N 0 3 241.335 0.002 20 0 BCADHN C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCN)C[C@@H]1C ZINC000085038907 388082721 /nfs/dbraw/zinc/08/27/21/388082721.db2.gz RTTYSDDFIYEQIN-KXUCPTDWSA-N 0 3 241.335 0.002 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@H]1C[C@H]2CCCCN2C1=O ZINC000453455885 388083678 /nfs/dbraw/zinc/08/36/78/388083678.db2.gz UPWHQPBEEFUOBM-USZNOCQGSA-N 0 3 238.331 0.907 20 0 BCADHN Cn1cccc1CNC1(CC(N)=O)CCC1 ZINC000336659420 388084554 /nfs/dbraw/zinc/08/45/54/388084554.db2.gz BVGTVLKRUJJWGV-UHFFFAOYSA-N 0 3 221.304 0.913 20 0 BCADHN Cc1ccc(S(=O)(=O)NC2CNC2)cc1F ZINC000085256418 388085908 /nfs/dbraw/zinc/08/59/08/388085908.db2.gz YNDCYSNIEMBVIF-UHFFFAOYSA-N 0 3 244.291 0.384 20 0 BCADHN Cc1ccc(S(=O)(=O)NC2CNC2)c(C)c1 ZINC000085256393 388085920 /nfs/dbraw/zinc/08/59/20/388085920.db2.gz FBHHWULJSNZFMW-UHFFFAOYSA-N 0 3 240.328 0.554 20 0 BCADHN CO[C@H](C)CN(C)C[C@H](O)CSC ZINC000336659687 388086368 /nfs/dbraw/zinc/08/63/68/388086368.db2.gz TZEWJELSMXPGNA-BDAKNGLRSA-N 0 3 207.339 0.677 20 0 BCADHN CC[C@](C)(CNCC(=O)NC(C)C)OC ZINC000322905636 388087837 /nfs/dbraw/zinc/08/78/37/388087837.db2.gz HOUFQHMUJJHEKJ-LLVKDONJSA-N 0 3 216.325 0.916 20 0 BCADHN O=C(C[C@@H]1CNCCO1)NCc1nccs1 ZINC000085619774 388093052 /nfs/dbraw/zinc/09/30/52/388093052.db2.gz DIQWYBWGQMQAAR-MRVPVSSYSA-N 0 3 241.316 0.138 20 0 BCADHN C[C@@H](O)CN(C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000464263258 388098694 /nfs/dbraw/zinc/09/86/94/388098694.db2.gz GRVVLDPLKQGOHY-AXFHLTTASA-N 0 3 243.351 0.491 20 0 BCADHN C[C@@H](O)CN(C)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000464339386 388099423 /nfs/dbraw/zinc/09/94/23/388099423.db2.gz SWEHIXHROHZVAF-MXWKQRLJSA-N 0 3 243.351 0.491 20 0 BCADHN C[C@@H](CNC(=O)NC[C@H]1CCCOC1)N(C)C ZINC000454359627 388115862 /nfs/dbraw/zinc/11/58/62/388115862.db2.gz KCSYMWGNMIUYRP-WDEREUQCSA-N 0 3 243.351 0.662 20 0 BCADHN CN(C)[C@@H](CNC(=O)C(=O)c1ccc[nH]1)C1CC1 ZINC000454180498 388104650 /nfs/dbraw/zinc/10/46/50/388104650.db2.gz XCDXQVRVHFQHKU-NSHDSACASA-N 0 3 249.314 0.654 20 0 BCADHN Cn1cc(CNCCOCC2CC2)cn1 ZINC000163942981 388106253 /nfs/dbraw/zinc/10/62/53/388106253.db2.gz PNULTQWONYHPSZ-UHFFFAOYSA-N 0 3 209.293 0.936 20 0 BCADHN C[C@H]1C[C@@H]1CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454261812 388110829 /nfs/dbraw/zinc/11/08/29/388110829.db2.gz DOVSDRBFDPVLKU-NNYUYHANSA-N 0 3 237.347 0.988 20 0 BCADHN CCCN[C@H](C)C(=O)Nc1cccn(C)c1=O ZINC000645975185 388111558 /nfs/dbraw/zinc/11/15/58/388111558.db2.gz HAJOHSLGDCSFPN-SECBINFHSA-N 0 3 237.303 0.712 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H](N(C)C)C1)n1cncn1 ZINC000170859879 388112607 /nfs/dbraw/zinc/11/26/07/388112607.db2.gz WQKHGWLSXGYZHR-NXEZZACHSA-N 0 3 237.307 0.002 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)Nc2nncs2)C1 ZINC000170874752 388112934 /nfs/dbraw/zinc/11/29/34/388112934.db2.gz LMFQOZOIEXITLV-ZETCQYMHSA-N 0 3 241.320 0.706 20 0 BCADHN C[C@@H](CO)CNCc1cnc(N(C)C)n1C ZINC000083219932 388047178 /nfs/dbraw/zinc/04/71/78/388047178.db2.gz OQGCBZGZTQPJSV-SECBINFHSA-N 0 3 226.324 0.204 20 0 BCADHN C[C@@H](Cc1ccoc1)N[C@@H]1COC[C@H]1O ZINC000453329253 388047791 /nfs/dbraw/zinc/04/77/91/388047791.db2.gz CTSNVTQHNWDLCA-JMJZKYOTSA-N 0 3 211.261 0.560 20 0 BCADHN COCCNCC(=O)N(CC(F)F)C1CC1 ZINC000156897150 388050654 /nfs/dbraw/zinc/05/06/54/388050654.db2.gz XDVLBNIHHVCBJM-UHFFFAOYSA-N 0 3 236.262 0.479 20 0 BCADHN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(=O)[n-][nH]1 ZINC000162347850 388155628 /nfs/dbraw/zinc/15/56/28/388155628.db2.gz OAWQUXDYQHECDJ-SFYZADRCSA-N 0 3 210.281 0.766 20 0 BCADHN CCOC[C@H]1CCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000646145975 388156586 /nfs/dbraw/zinc/15/65/86/388156586.db2.gz HYJCYHYZKNZFHN-WDEREUQCSA-N 0 3 240.347 0.869 20 0 BCADHN CCN(C)CCNC(=O)NCC(C)(C)COC ZINC000488560882 388187744 /nfs/dbraw/zinc/18/77/44/388187744.db2.gz PKVPRXZOMNBDCS-UHFFFAOYSA-N 0 3 245.367 0.910 20 0 BCADHN CCc1nocc1CN1CC[C@H](CC(N)=O)C1 ZINC000646203800 388163888 /nfs/dbraw/zinc/16/38/88/388163888.db2.gz GZUKLLUWSPUIBA-SECBINFHSA-N 0 3 237.303 0.934 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)CC1CCC1 ZINC000646209675 388164507 /nfs/dbraw/zinc/16/45/07/388164507.db2.gz OYMQCKJPNJMRJE-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN CCCC[C@@H](C)C(=O)N[C@@H](CO)CN(C)C ZINC000646209162 388164702 /nfs/dbraw/zinc/16/47/02/388164702.db2.gz YFBVLPDHGFEJEQ-GHMZBOCLSA-N 0 3 230.352 0.851 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)Cc1ccsc1 ZINC000646211932 388165069 /nfs/dbraw/zinc/16/50/69/388165069.db2.gz GETAIXOKURHFFS-SNVBAGLBSA-N 0 3 242.344 0.329 20 0 BCADHN CC(C)COCCC(=O)N[C@H](CO)CN(C)C ZINC000646210276 388165072 /nfs/dbraw/zinc/16/50/72/388165072.db2.gz XZXWIIRCOGDFNH-NSHDSACASA-N 0 3 246.351 0.088 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@H](C)NC1CC1 ZINC000449270252 388165212 /nfs/dbraw/zinc/16/52/12/388165212.db2.gz JJFRWFFEXMBFGL-YUMQZZPRSA-N 0 3 228.292 0.052 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)c1ccc(Cl)o1 ZINC000646211063 388165379 /nfs/dbraw/zinc/16/53/79/388165379.db2.gz QCHIDGWXPFRTII-ZETCQYMHSA-N 0 3 246.694 0.585 20 0 BCADHN COc1cc(C)ccc1CNC[C@@H](O)CO ZINC000449271813 388165951 /nfs/dbraw/zinc/16/59/51/388165951.db2.gz UUBOOBISKBJNSX-LLVKDONJSA-N 0 3 225.288 0.446 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@@H](C)NC1CC1 ZINC000449276320 388166242 /nfs/dbraw/zinc/16/62/42/388166242.db2.gz RHVKCARASIQGCK-NGZCFLSTSA-N 0 3 228.336 0.650 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)C1(N)CCC1 ZINC000449277949 388166425 /nfs/dbraw/zinc/16/64/25/388166425.db2.gz YZBPZFLVPBUXLL-BDAKNGLRSA-N 0 3 214.309 0.391 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@@H](C)NC1CC1 ZINC000449276319 388166525 /nfs/dbraw/zinc/16/65/25/388166525.db2.gz RHVKCARASIQGCK-IQJOONFLSA-N 0 3 228.336 0.650 20 0 BCADHN O=C(CC1CC1)N[C@H](CO)CN1CCCC1 ZINC000646220201 388167531 /nfs/dbraw/zinc/16/75/31/388167531.db2.gz LQURNKAEUOGLIT-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN O=C(CC1CCC1)N[C@@H](CO)CN1CCCC1 ZINC000646221697 388167672 /nfs/dbraw/zinc/16/76/72/388167672.db2.gz LOIZQYBYPZELSF-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN CC1(C(=O)N[C@H](CO)CN2CCCC2)CC1 ZINC000646222337 388168114 /nfs/dbraw/zinc/16/81/14/388168114.db2.gz RNXWZFXCWMVZMG-JTQLQIEISA-N 0 3 226.320 0.359 20 0 BCADHN C[C@H](NC(=O)NCCN(C)C)C(C)(F)F ZINC000455792538 388169338 /nfs/dbraw/zinc/16/93/38/388169338.db2.gz PQNMYEHHIMVIRX-ZETCQYMHSA-N 0 3 223.267 0.891 20 0 BCADHN CCn1nnc(C)c1CNC[C@@H](CO)C(C)C ZINC000449322197 388172814 /nfs/dbraw/zinc/17/28/14/388172814.db2.gz WSYALJYPWACURB-NSHDSACASA-N 0 3 240.351 0.961 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)CC(C)(C)O ZINC000456096880 388177229 /nfs/dbraw/zinc/17/72/29/388177229.db2.gz OBICIRAWCKYSEL-SNVBAGLBSA-N 0 3 230.352 0.994 20 0 BCADHN CCNS(=O)(=O)[C@@H]1CCN(C[C@@H]2C[C@@H]2C)C1 ZINC000488531526 388185194 /nfs/dbraw/zinc/18/51/94/388185194.db2.gz YOVQZOUBZWPTRE-GARJFASQSA-N 0 3 246.376 0.656 20 0 BCADHN CCNS(=O)(=O)[C@@H]1CCN(C[C@H]2C[C@@H]2C)C1 ZINC000488531528 388185248 /nfs/dbraw/zinc/18/52/48/388185248.db2.gz YOVQZOUBZWPTRE-HBNTYKKESA-N 0 3 246.376 0.656 20 0 BCADHN C[C@H](O)CN1CCN(C[C@@H]2C[C@@H]2C)CC1 ZINC000488537887 388185355 /nfs/dbraw/zinc/18/53/55/388185355.db2.gz BNGQJPUDRMJJDJ-SRVKXCTJSA-N 0 3 212.337 0.641 20 0 BCADHN CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H](C)O ZINC000456217092 388185650 /nfs/dbraw/zinc/18/56/50/388185650.db2.gz LUZIYOCUKWUHMV-DCAQKATOSA-N 0 3 230.352 0.848 20 0 BCADHN COC[C@@H]1CCCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000645984668 388116377 /nfs/dbraw/zinc/11/63/77/388116377.db2.gz XFDBGOAIONPYIE-MNOVXSKESA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)NCCN(C)CCOC ZINC000448879267 388117027 /nfs/dbraw/zinc/11/70/27/388117027.db2.gz YYNZEULBUOLONT-GHMZBOCLSA-N 0 3 228.336 0.727 20 0 BCADHN C[C@@H](CNC(=O)C1CC(C)(O)C1)N(C)C1CC1 ZINC000448890096 388117629 /nfs/dbraw/zinc/11/76/29/388117629.db2.gz GLAQRRTXYSCFNI-JBLZRFIASA-N 0 3 240.347 0.746 20 0 BCADHN COCCN1CC[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000448937589 388121225 /nfs/dbraw/zinc/12/12/25/388121225.db2.gz QONKWDCGTYYEMO-RKDXNWHRSA-N 0 3 248.273 0.479 20 0 BCADHN C[C@@H](CNC(=O)NCc1ccn(C)c1)N(C)C ZINC000454592360 388124235 /nfs/dbraw/zinc/12/42/35/388124235.db2.gz OADSULNWGGNAQS-JTQLQIEISA-N 0 3 238.335 0.774 20 0 BCADHN CC[C@@H](O)CC(=O)NCCN(C)CC ZINC000448975988 388125185 /nfs/dbraw/zinc/12/51/85/388125185.db2.gz KTLUQVSAWHCCQM-SECBINFHSA-N 0 3 202.298 0.215 20 0 BCADHN CO[C@H](CNC(=O)NC[C@H](C)N(C)C)C(C)C ZINC000454650604 388127678 /nfs/dbraw/zinc/12/76/78/388127678.db2.gz MMLKRUNCGZFZFH-WDEREUQCSA-N 0 3 245.367 0.907 20 0 BCADHN C[C@@H](CNC(=O)NCCn1cccc1)N(C)C ZINC000454645772 388127779 /nfs/dbraw/zinc/12/77/79/388127779.db2.gz WIBIHHUIAGTCPT-NSHDSACASA-N 0 3 238.335 0.737 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCN1CCCC1 ZINC000162219479 388127809 /nfs/dbraw/zinc/12/78/09/388127809.db2.gz QBNHSXRFSAPOKT-LLVKDONJSA-N 0 3 248.392 0.495 20 0 BCADHN Cn1cccc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000171585832 388130106 /nfs/dbraw/zinc/13/01/06/388130106.db2.gz DRCOTESRKRZAMT-NSHDSACASA-N 0 3 233.315 0.945 20 0 BCADHN COC[C@@H](NC(=O)NC[C@H](C)N(C)C)C1CC1 ZINC000454716131 388130670 /nfs/dbraw/zinc/13/06/70/388130670.db2.gz WLHMRUOGUJENQM-GXSJLCMTSA-N 0 3 243.351 0.661 20 0 BCADHN CCn1cc(CCN(C)CCNC(C)=O)cn1 ZINC000646047321 388132783 /nfs/dbraw/zinc/13/27/83/388132783.db2.gz HTULPRCWFCDWLF-UHFFFAOYSA-N 0 3 238.335 0.513 20 0 BCADHN CN(Cc1ccon1)C(=O)[C@@H]1NCC1(C)C ZINC000646057937 388134705 /nfs/dbraw/zinc/13/47/05/388134705.db2.gz SZIASGZSISOSKQ-VIFPVBQESA-N 0 3 223.276 0.631 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000454824482 388135207 /nfs/dbraw/zinc/13/52/07/388135207.db2.gz KGCJZHRODBGVPY-GUBZILKMSA-N 0 3 231.340 0.659 20 0 BCADHN CS(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000151624635 388135329 /nfs/dbraw/zinc/13/53/29/388135329.db2.gz SPFWKTSVIYNGFK-SNVBAGLBSA-N 0 3 232.349 0.364 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCC(C)(C)O ZINC000162252136 388136246 /nfs/dbraw/zinc/13/62/46/388136246.db2.gz JGDFGSJZXNUGFD-QMMMGPOBSA-N 0 3 223.338 0.170 20 0 BCADHN CC(C)[C@](C)(O)CN[C@@H](C)CS(C)(=O)=O ZINC000162255228 388136663 /nfs/dbraw/zinc/13/66/63/388136663.db2.gz KIVNFNQDDGDOID-VHSXEESVSA-N 0 3 237.365 0.416 20 0 BCADHN CSC[C@@H](C)N[C@@H](C)CS(C)(=O)=O ZINC000162273478 388140370 /nfs/dbraw/zinc/14/03/70/388140370.db2.gz PBEIKNPXDPQVNN-SFYZADRCSA-N 0 3 225.379 0.761 20 0 BCADHN CO[C@H](C)CN1CCN(CC(C)(C)O)CC1 ZINC000164054284 388140384 /nfs/dbraw/zinc/14/03/84/388140384.db2.gz VIJCMEQFTJFCAG-LLVKDONJSA-N 0 3 230.352 0.410 20 0 BCADHN C[C@@H](CNC(=O)NCCC1(O)CCC1)N(C)C ZINC000454926065 388140449 /nfs/dbraw/zinc/14/04/49/388140449.db2.gz NMSSVULTZYWRFP-JTQLQIEISA-N 0 3 243.351 0.541 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1CSC[C@@H]1C)N(C)C ZINC000454947610 388140937 /nfs/dbraw/zinc/14/09/37/388140937.db2.gz RCVMKDDGIJSHLZ-LPEHRKFASA-N 0 3 245.392 0.987 20 0 BCADHN C[C@@H]1CC2(CN1[C@H]1CCNC1=O)CCOCC2 ZINC000646100210 388143437 /nfs/dbraw/zinc/14/34/37/388143437.db2.gz QOHLIIQJKDTGHA-MNOVXSKESA-N 0 3 238.331 0.766 20 0 BCADHN CCC[C@@H](C(=O)NC(COC)COC)N(C)C ZINC000456230606 388186931 /nfs/dbraw/zinc/18/69/31/388186931.db2.gz NZBSPQPIBRJGDH-NSHDSACASA-N 0 3 246.351 0.494 20 0 BCADHN C[C@H]1C(=O)N(C)CN1CCN1CCCCC1 ZINC000646124450 388147653 /nfs/dbraw/zinc/14/76/53/388147653.db2.gz NNGNGCCNDGCMHN-NSHDSACASA-N 0 3 225.336 0.592 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)[C@@H](C)NC1CC1 ZINC000449149255 388148948 /nfs/dbraw/zinc/14/89/48/388148948.db2.gz MXSMFFZOHFUWDS-RKDXNWHRSA-N 0 3 242.319 0.442 20 0 BCADHN CCCN[C@@H](C)C(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000449161926 388150608 /nfs/dbraw/zinc/15/06/08/388150608.db2.gz PZYKZSJPRUFUHS-IUCAKERBSA-N 0 3 243.351 0.391 20 0 BCADHN CNCC(=O)NCCc1cn2cccc(C)c2n1 ZINC000646137944 388152992 /nfs/dbraw/zinc/15/29/92/388152992.db2.gz YPUZKRHFOWIXDC-UHFFFAOYSA-N 0 3 246.314 0.521 20 0 BCADHN CC(C)NC(=O)CN[C@H](C)[C@@H](C)CO ZINC000164898772 388248978 /nfs/dbraw/zinc/24/89/78/388248978.db2.gz AQMUUGHTYNWURC-DTWKUNHWSA-N 0 3 202.298 0.118 20 0 BCADHN CC(C)CNC(=O)CN[C@@H](C)[C@H](C)CO ZINC000164913017 388249218 /nfs/dbraw/zinc/24/92/18/388249218.db2.gz GHPKSRLLXGFYPP-ZJUUUORDSA-N 0 3 216.325 0.365 20 0 BCADHN C[C@H](CO)[C@H](C)NCC(=O)N(C)C1CC1 ZINC000164903892 388249637 /nfs/dbraw/zinc/24/96/37/388249637.db2.gz ZPTOPJYWDYJLNY-BDAKNGLRSA-N 0 3 214.309 0.214 20 0 BCADHN NCC(=O)NC[C@H](CCO)c1ccccc1 ZINC000490735101 388250998 /nfs/dbraw/zinc/25/09/98/388250998.db2.gz VBOPOZCLAFBNAG-NSHDSACASA-N 0 3 222.288 0.228 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000490922373 388260620 /nfs/dbraw/zinc/26/06/20/388260620.db2.gz CLYZCLDYCSTYSV-GXSJLCMTSA-N 0 3 241.335 0.084 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1cccc(CO)c1 ZINC000645936810 388252279 /nfs/dbraw/zinc/25/22/79/388252279.db2.gz CJPJLQFFAMRPHJ-GFCCVEGCSA-N 0 3 248.326 0.793 20 0 BCADHN C[C@@H](Cn1cncn1)NCc1cc[nH]c1 ZINC000165662980 388253175 /nfs/dbraw/zinc/25/31/75/388253175.db2.gz XVIJTGHPBGZWNU-VIFPVBQESA-N 0 3 205.265 0.785 20 0 BCADHN C[C@H](O)CN(C)Cc1ccc(CO)cc1 ZINC000166287179 388254594 /nfs/dbraw/zinc/25/45/94/388254594.db2.gz BLAAWFDJMIWVDE-JTQLQIEISA-N 0 3 209.289 0.992 20 0 BCADHN CCn1nccc1CN[C@@H](C)CC(N)=O ZINC000163022564 388255765 /nfs/dbraw/zinc/25/57/65/388255765.db2.gz USMVWRWWNIFFEV-QMMMGPOBSA-N 0 3 210.281 0.257 20 0 BCADHN CCC(=O)N[C@H](C)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000646303995 388188890 /nfs/dbraw/zinc/18/88/90/388188890.db2.gz GTVFARNAQJIINK-LPEHRKFASA-N 0 3 241.335 0.110 20 0 BCADHN CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000646303997 388190284 /nfs/dbraw/zinc/19/02/84/388190284.db2.gz GTVFARNAQJIINK-OPRDCNLKSA-N 0 3 241.335 0.110 20 0 BCADHN CCC[C@H](C(=O)N[C@H](CC)[C@@H](C)O)N(C)C ZINC000456272286 388190891 /nfs/dbraw/zinc/19/08/91/388190891.db2.gz VOYZTELMCYQTSI-GMTAPVOTSA-N 0 3 230.352 0.992 20 0 BCADHN CCOC[C@H](C)NC(=O)NC1CCN(C)CC1 ZINC000488763983 388195321 /nfs/dbraw/zinc/19/53/21/388195321.db2.gz JHEBUWQNNWUUJH-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN CC(C)[C@@H](C(=O)NCCC1(CO)CC1)N(C)C ZINC000456427097 388200913 /nfs/dbraw/zinc/20/09/13/388200913.db2.gz HDJMWJQAGKFYCH-NSHDSACASA-N 0 3 242.363 0.851 20 0 BCADHN CNCC(=O)Nc1nc(COC)cs1 ZINC000261528737 135154031 /nfs/dbraw/zinc/15/40/31/135154031.db2.gz VLOOVJVACPMVGK-UHFFFAOYSA-N 0 3 215.278 0.447 20 0 BCADHN CN(CCNC(=O)c1occc1N)C1CC1 ZINC000313148488 256541650 /nfs/dbraw/zinc/54/16/50/256541650.db2.gz WUPZQCUFBTWJCQ-UHFFFAOYSA-N 0 3 223.276 0.686 20 0 BCADHN CC[C@H](O)[C@H](CC)NC(=O)CN(C)C(C)C ZINC000456569377 388208842 /nfs/dbraw/zinc/20/88/42/388208842.db2.gz BBMGPQWJPQYQQA-QWRGUYRKSA-N 0 3 230.352 0.992 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CC)[C@H](O)CC ZINC000456709387 388216791 /nfs/dbraw/zinc/21/67/91/388216791.db2.gz LULKCBPKYJUZJW-GHMZBOCLSA-N 0 3 230.352 0.994 20 0 BCADHN COCCN(CCCO)[C@H]1CCO[C@H]1C ZINC000489477108 388217689 /nfs/dbraw/zinc/21/76/89/388217689.db2.gz JCJKNSRBBMTAHN-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN CCCNS(=O)(=O)NCC1=CCN(C)CC1 ZINC000489722842 388223590 /nfs/dbraw/zinc/22/35/90/388223590.db2.gz SWBCOPGZAYWOSO-UHFFFAOYSA-N 0 3 247.364 0.082 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000489865566 388226248 /nfs/dbraw/zinc/22/62/48/388226248.db2.gz XITGUNQXJCGJTQ-MRVPVSSYSA-N 0 3 222.292 0.121 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000489892522 388227537 /nfs/dbraw/zinc/22/75/37/388227537.db2.gz XFSCQZANXLXUMI-MRVPVSSYSA-N 0 3 224.264 0.035 20 0 BCADHN COC(=O)CNC(=O)CN(C)C1(C)CCCC1 ZINC000489895164 388228139 /nfs/dbraw/zinc/22/81/39/388228139.db2.gz XPGLPHJLRYAEJQ-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000489980181 388229584 /nfs/dbraw/zinc/22/95/84/388229584.db2.gz IJAWVJDMNLGFLT-VWYCJHECSA-N 0 3 243.351 0.539 20 0 BCADHN COCCN(CCn1ccnc1)[C@@H]1CCOC1 ZINC000490030227 388231079 /nfs/dbraw/zinc/23/10/79/388231079.db2.gz GUINVXYIFCPHLJ-GFCCVEGCSA-N 0 3 239.319 0.620 20 0 BCADHN CCOC[C@H](O)CN(CCOC)[C@H]1CCOC1 ZINC000490054135 388232229 /nfs/dbraw/zinc/23/22/29/388232229.db2.gz BRXPBROYVUNXMF-NWDGAFQWSA-N 0 3 247.335 0.121 20 0 BCADHN CN[C@@H](C)C(=O)N(CCC(N)=O)c1ccccc1 ZINC000521068067 256567438 /nfs/dbraw/zinc/56/74/38/256567438.db2.gz KNRFJIGXTZYJTI-JTQLQIEISA-N 0 3 249.314 0.503 20 0 BCADHN CCOC(=O)CCN(CCOC)[C@@H]1CCOC1 ZINC000490074366 388233839 /nfs/dbraw/zinc/23/38/39/388233839.db2.gz UXZOUZNQIGNVBA-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN CCN(CC)C[C@H]1CCS(=O)(=O)C1 ZINC000336662014 388259929 /nfs/dbraw/zinc/25/99/29/388259929.db2.gz VWAHFYSABDOSIM-SECBINFHSA-N 0 3 205.323 0.763 20 0 BCADHN CCN(CC)CC(=O)N1CCNC[C@](C)(F)C1 ZINC000449570235 388235743 /nfs/dbraw/zinc/23/57/43/388235743.db2.gz AFOXVRUENIKWQS-LBPRGKRZSA-N 0 3 245.342 0.488 20 0 BCADHN CC(C)(N)C(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000490206022 388236027 /nfs/dbraw/zinc/23/60/27/388236027.db2.gz VZQHLARHSWUZCI-SECBINFHSA-N 0 3 241.335 0.228 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](N)C(C)C ZINC000490206736 388236206 /nfs/dbraw/zinc/23/62/06/388236206.db2.gz PGNAZAIGCKXQBT-LPEHRKFASA-N 0 3 243.351 0.389 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc(CNC(N)=O)cc1 ZINC000490182050 388236236 /nfs/dbraw/zinc/23/62/36/388236236.db2.gz SRLSSEIQCNJYJN-ZETCQYMHSA-N 0 3 236.275 0.141 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCNC[C@@](C)(F)C1 ZINC000449575113 388236299 /nfs/dbraw/zinc/23/62/99/388236299.db2.gz KDDUTXCFHGOMKD-JFGNBEQYSA-N 0 3 245.342 0.520 20 0 BCADHN COCCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000490472877 388239383 /nfs/dbraw/zinc/23/93/83/388239383.db2.gz XJWFFDZWNUQPMV-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@@H]1CCNC1=O ZINC000451585703 388283188 /nfs/dbraw/zinc/28/31/88/388283188.db2.gz CZJRGVPQJWWDCN-KXUCPTDWSA-N 0 3 240.303 0.196 20 0 BCADHN CO[C@@H]1CCC[C@H]1N[C@H]1CCN(C2CC2)C1=O ZINC000451623420 388285726 /nfs/dbraw/zinc/28/57/26/388285726.db2.gz LYVJNMOIQYKZQR-GRYCIOLGSA-N 0 3 238.331 0.907 20 0 BCADHN CN(C)CC1(NC(=O)[C@H](O)C2CCC2)CCC1 ZINC000451635520 388286139 /nfs/dbraw/zinc/28/61/39/388286139.db2.gz RHNCYBWGKLORTG-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)OCCN1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451668452 388288438 /nfs/dbraw/zinc/28/84/38/388288438.db2.gz SLKCBKTYJFJYPZ-BETUJISGSA-N 0 3 244.379 0.798 20 0 BCADHN O=C1CNC(=O)N1CCN1C2CCC1CC2 ZINC000642093888 388290569 /nfs/dbraw/zinc/29/05/69/388290569.db2.gz OSLXOWNLNANKCC-UHFFFAOYSA-N 0 3 223.276 0.165 20 0 BCADHN CC[C@@H]1CN(CC)CCN1CC(=O)OC ZINC000451725651 388292100 /nfs/dbraw/zinc/29/21/00/388292100.db2.gz NQBVFKMNRRPMJQ-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)CC1CC(O)C1 ZINC000492022158 388331788 /nfs/dbraw/zinc/33/17/88/388331788.db2.gz VKLYEIKOOLEYSW-PLNGDYQASA-N 0 3 226.320 0.334 20 0 BCADHN CO[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H]1O ZINC000451766073 388294513 /nfs/dbraw/zinc/29/45/13/388294513.db2.gz WJMOOZWJEJDTFT-QJPTWQEYSA-N 0 3 229.320 0.637 20 0 BCADHN CCn1cc(CCN2C[C@@H](O)[C@H](OC)C2)cn1 ZINC000451762623 388294574 /nfs/dbraw/zinc/29/45/74/388294574.db2.gz OTKJCJZHCGTBCU-VXGBXAGGSA-N 0 3 239.319 0.137 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CC1(F)F ZINC000451765259 388294702 /nfs/dbraw/zinc/29/47/02/388294702.db2.gz UJPJLUCBUFNPNI-NKWVEPMBSA-N 0 3 206.236 0.708 20 0 BCADHN CO[C@H](C)CNC(=O)/C=C/CN(C)C ZINC000492020257 388331863 /nfs/dbraw/zinc/33/18/63/388331863.db2.gz PYLIKYFLECOHPL-VUHVRTRXSA-N 0 3 200.282 0.255 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000181017466 256586561 /nfs/dbraw/zinc/58/65/61/256586561.db2.gz CRBIKRWXLFPTBH-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@H](C)N1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000451820090 388298445 /nfs/dbraw/zinc/29/84/45/388298445.db2.gz CPFAHLVSJYNGKA-RYUDHWBXSA-N 0 3 241.379 0.879 20 0 BCADHN CCOC(=O)[C@](C)(O)CN[C@H]1COCC1(C)C ZINC000451814852 388298498 /nfs/dbraw/zinc/29/84/98/388298498.db2.gz VJDNGOIOOCWUHH-JOYOIKCWSA-N 0 3 245.319 0.315 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)/C=C\CN(C)C)C1 ZINC000492036720 388332307 /nfs/dbraw/zinc/33/23/07/388332307.db2.gz XLDUJSLQJKELGC-NRFYAWERSA-N 0 3 226.320 0.788 20 0 BCADHN CSCC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000261530439 135157970 /nfs/dbraw/zinc/15/79/70/135157970.db2.gz ZVHKSSMSGKFYHE-YUMQZZPRSA-N 0 3 202.323 0.558 20 0 BCADHN CN(C)C/C=C\C(=O)NCCn1cccc1 ZINC000492050720 388332730 /nfs/dbraw/zinc/33/27/30/388332730.db2.gz PXTGFUABEYTOLF-WAYWQWQTSA-N 0 3 221.304 0.722 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)C[C@H]1CCOC1 ZINC000492051084 388332807 /nfs/dbraw/zinc/33/28/07/388332807.db2.gz QWAHNZMBFJNLIK-DOGVGXBMSA-N 0 3 226.320 0.599 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCOc2ccncc21 ZINC000492051049 388332932 /nfs/dbraw/zinc/33/29/32/388332932.db2.gz QRCLWADWQWPECO-ARJAWSKDSA-N 0 3 247.298 0.925 20 0 BCADHN CO[C@H](C)C(=O)N1CCN[C@H](C)[C@H]1C ZINC000261528693 135154614 /nfs/dbraw/zinc/15/46/14/135154614.db2.gz UCHGCDCCWNBFHB-IWSPIJDZSA-N 0 3 200.282 0.230 20 0 BCADHN CN(C)C/C=C\C(=O)NCC(=O)NC(C)(C)C ZINC000491841597 388324378 /nfs/dbraw/zinc/32/43/78/388324378.db2.gz CKCCUXQRWHFFDT-SREVYHEPSA-N 0 3 241.335 0.135 20 0 BCADHN Cc1nc(CNC(=O)/C=C/CN(C)C)no1 ZINC000491842194 388324527 /nfs/dbraw/zinc/32/45/27/388324527.db2.gz DNFIZXYKQKJQFG-SNAWJCMRSA-N 0 3 224.264 0.112 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)/C=C\CN(C)C ZINC000491844060 388324591 /nfs/dbraw/zinc/32/45/91/388324591.db2.gz HGZYBQSKYHVDEX-SSJHQANKSA-N 0 3 228.292 0.172 20 0 BCADHN COC[C@@H]1CCCN(C(=O)/C=C\CN(C)C)C1 ZINC000491879624 388325741 /nfs/dbraw/zinc/32/57/41/388325741.db2.gz AVWYQFMNMSCIQU-SMYYYNMVSA-N 0 3 240.347 0.989 20 0 BCADHN CN(C)CC=CC(=O)NCc1ncc[nH]1 ZINC000491873848 388325785 /nfs/dbraw/zinc/32/57/85/388325785.db2.gz UXPFOZDOMDXJPE-ONEGZZNKSA-N 0 3 208.265 0.144 20 0 BCADHN CCCCOC(=O)CNC(=O)/C=C\CN(C)C ZINC000491902164 388326945 /nfs/dbraw/zinc/32/69/45/388326945.db2.gz BTHCJYABSCQPMR-SREVYHEPSA-N 0 3 242.319 0.564 20 0 BCADHN CC[C@@H]1COCCN1C(=O)/C=C/CN(C)C ZINC000491901741 388326998 /nfs/dbraw/zinc/32/69/98/388326998.db2.gz AFULCNXMWPUNAX-MVIFTORASA-N 0 3 226.320 0.742 20 0 BCADHN COCCN(C)CCNC(=O)/C=C\C1CC1 ZINC000491942280 388328964 /nfs/dbraw/zinc/32/89/64/388328964.db2.gz TWNYTGGMFYFRAZ-WAYWQWQTSA-N 0 3 226.320 0.647 20 0 BCADHN CN(C)C/C=C\C(=O)NCCN1CC=CCC1 ZINC000491959884 388329643 /nfs/dbraw/zinc/32/96/43/388329643.db2.gz FQWMGQWCDUUMNS-SREVYHEPSA-N 0 3 237.347 0.482 20 0 BCADHN CSC[C@@H](O)CN1CCSC[C@@H]1CO ZINC000491982769 388330506 /nfs/dbraw/zinc/33/05/06/388330506.db2.gz SIWMSDRYZYXPEH-IUCAKERBSA-N 0 3 237.390 0.120 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000645920478 388264116 /nfs/dbraw/zinc/26/41/16/388264116.db2.gz IIDPSZPZAANBML-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN CCOCCNC(=O)CN(C)[C@H](C)C(C)(C)O ZINC000451361198 388265198 /nfs/dbraw/zinc/26/51/98/388265198.db2.gz MRLCBPNUGNFTEX-SNVBAGLBSA-N 0 3 246.351 0.230 20 0 BCADHN C[C@@]12CN(CC(N)=O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451377949 388267729 /nfs/dbraw/zinc/26/77/29/388267729.db2.gz XYFXEERMWKIHFM-KLBPJQLPSA-N 0 3 206.289 0.616 20 0 BCADHN C[C@H](O)CNC1(C(=O)N(C)C)CCCCC1 ZINC000451410786 388270503 /nfs/dbraw/zinc/27/05/03/388270503.db2.gz KIQABGLEPGIZHF-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@H](O)C[C@@H]1C ZINC000491196048 388276804 /nfs/dbraw/zinc/27/68/04/388276804.db2.gz APPAYFYKRKAAJA-DCAQKATOSA-N 0 3 243.351 0.491 20 0 BCADHN CC(C)O[C@@H]1C[C@H](NCC(N)=O)C1(C)C ZINC000451511900 388278714 /nfs/dbraw/zinc/27/87/14/388278714.db2.gz ZRKMCVFGUGNVPY-DTWKUNHWSA-N 0 3 214.309 0.653 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000492302918 388341014 /nfs/dbraw/zinc/34/10/14/388341014.db2.gz YCSSRNPAWIAOBB-LHXDFBSTSA-N 0 3 240.347 0.724 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC(F)(F)C1 ZINC000492328341 388341590 /nfs/dbraw/zinc/34/15/90/388341590.db2.gz IEZOQSSDCHJPBC-ARJAWSKDSA-N 0 3 218.247 0.972 20 0 BCADHN CN(C)C/C=C\C(=O)NCCc1ccc[nH]1 ZINC000492323976 388341626 /nfs/dbraw/zinc/34/16/26/388341626.db2.gz PFODKUZHYDMTAG-XQRVVYSFSA-N 0 3 221.304 0.791 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)/C=C\CN(C)C)CCO1 ZINC000492340644 388342027 /nfs/dbraw/zinc/34/20/27/388342027.db2.gz QUMVDXLBQMYLLM-FJOGCWAESA-N 0 3 240.347 0.988 20 0 BCADHN CN(C)C/C=C\C(=O)NC1(CO)CCCC1 ZINC000492382066 388342911 /nfs/dbraw/zinc/34/29/11/388342911.db2.gz VRGCMTLVMIYWGX-WAYWQWQTSA-N 0 3 226.320 0.526 20 0 BCADHN C[C@H](O)[C@H]1CCN(C(=O)/C=C\CN(C)C)C1 ZINC000492441670 388344427 /nfs/dbraw/zinc/34/44/27/388344427.db2.gz AAKUKQNDUYKURR-XXJOZFEBSA-N 0 3 226.320 0.334 20 0 BCADHN CC(C)[C@H](N)c1cn(C[C@@H](O)C(C)C)nn1 ZINC000300891311 388348613 /nfs/dbraw/zinc/34/86/13/388348613.db2.gz ONWHMIJAJHXFIF-MNOVXSKESA-N 0 3 226.324 0.951 20 0 BCADHN CC(=O)NCCN(C)CCOC[C@H]1CCCO1 ZINC000516568280 388349269 /nfs/dbraw/zinc/34/92/69/388349269.db2.gz VKJVONMIMUGUNO-GFCCVEGCSA-N 0 3 244.335 0.250 20 0 BCADHN CS(=O)(=O)NCCN1C[C@H]2CCC[C@@H]2C1 ZINC000153002718 388349476 /nfs/dbraw/zinc/34/94/76/388349476.db2.gz JSUZVCBYCRYPLK-NXEZZACHSA-N 0 3 232.349 0.268 20 0 BCADHN Cc1cc(NC(=O)[C@H]2NCC2(C)C)ccn1 ZINC000646394881 388350266 /nfs/dbraw/zinc/35/02/66/388350266.db2.gz ZLOJDIYRKPAJDX-SNVBAGLBSA-N 0 3 219.288 0.748 20 0 BCADHN CN1C(=O)C[C@@H](N2CCC(C)(C)CC2)C1=O ZINC000524226694 388351813 /nfs/dbraw/zinc/35/18/13/388351813.db2.gz LKSRPMNXHSBVEB-SECBINFHSA-N 0 3 224.304 0.866 20 0 BCADHN COc1cc(CNC[C@@H](O)CSC)ccn1 ZINC000520797234 256697538 /nfs/dbraw/zinc/69/75/38/256697538.db2.gz BPEINOFJFSKLNQ-SNVBAGLBSA-N 0 3 242.344 0.904 20 0 BCADHN COC[C@@H](O)CN1C[C@@H](C)OC2(CCC2)C1 ZINC000572998574 388404935 /nfs/dbraw/zinc/40/49/35/388404935.db2.gz FJSALVVNYQIWJT-MNOVXSKESA-N 0 3 229.320 0.637 20 0 BCADHN COCC[C@](C)(O)CNCc1conc1C ZINC000293702467 388359369 /nfs/dbraw/zinc/35/93/69/388359369.db2.gz XETVCUOLWAEPGF-NSHDSACASA-N 0 3 228.292 0.860 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@@H]1NCC1(C)C ZINC000646442769 388360275 /nfs/dbraw/zinc/36/02/75/388360275.db2.gz WENGHZLMTMNKFW-AEJSXWLSSA-N 0 3 228.336 0.508 20 0 BCADHN C[C@H](O)[C@@H]1CCN([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000162767985 388360659 /nfs/dbraw/zinc/36/06/59/388360659.db2.gz CGOUGBHXDMGPPY-GARJFASQSA-N 0 3 242.363 0.992 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000234812274 388360842 /nfs/dbraw/zinc/36/08/42/388360842.db2.gz GUSJMQDAVXGTFH-OLZOCXBDSA-N 0 3 248.326 0.804 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1C[C@@H](O)C1(C)C ZINC000163331525 388361195 /nfs/dbraw/zinc/36/11/95/388361195.db2.gz XXYFXHXASFHFHD-RKDXNWHRSA-N 0 3 214.309 0.260 20 0 BCADHN CO[C@H]1CC[C@@H](NC(=O)[C@H](N)C(C)C)C1 ZINC000234828520 388361188 /nfs/dbraw/zinc/36/11/88/388361188.db2.gz XJRWNEHDBPOMFF-KXUCPTDWSA-N 0 3 214.309 0.653 20 0 BCADHN COC[C@@H](CO)NCc1ccsc1 ZINC000234874020 388361723 /nfs/dbraw/zinc/36/17/23/388361723.db2.gz MKQLTENFAVADKO-SECBINFHSA-N 0 3 201.291 0.845 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@@H]1NCC1(C)C ZINC000646456890 388361982 /nfs/dbraw/zinc/36/19/82/388361982.db2.gz PTKCXRVHLITYET-YUMQZZPRSA-N 0 3 200.282 0.136 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)[C@@H](N)C(C)C)C1 ZINC000234850017 388362213 /nfs/dbraw/zinc/36/22/13/388362213.db2.gz XJRWNEHDBPOMFF-BBBLOLIVSA-N 0 3 214.309 0.653 20 0 BCADHN COC[C@@H](CO)N[C@@H](C)c1ccncc1 ZINC000234892644 388362364 /nfs/dbraw/zinc/36/23/64/388362364.db2.gz VDUQAZQNIVSRKM-GXSJLCMTSA-N 0 3 210.277 0.740 20 0 BCADHN CC[C@@H](C)[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000572648297 388363234 /nfs/dbraw/zinc/36/32/34/388363234.db2.gz XCPMNGSPYXHGQJ-RHYQMDGZSA-N 0 3 242.363 0.802 20 0 BCADHN COC[C@H](CO)N[C@@H]1CS[C@H](C)C1 ZINC000300393488 388364931 /nfs/dbraw/zinc/36/49/31/388364931.db2.gz DUGLJDGUSLSBHD-VGMNWLOBSA-N 0 3 205.323 0.477 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cccnc1F ZINC000235104357 388365016 /nfs/dbraw/zinc/36/50/16/388365016.db2.gz ZSJNWMTXWVJOAT-QMMMGPOBSA-N 0 3 225.267 0.901 20 0 BCADHN C[C@@H](C(=O)NCCO)N1CCCCCC1 ZINC000305174771 388366526 /nfs/dbraw/zinc/36/65/26/388366526.db2.gz VIAGVCQZEPVMAX-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN CC(C)OC(=O)CCN1CC[C@H](CO)[C@H](O)C1 ZINC000572747170 388371840 /nfs/dbraw/zinc/37/18/40/388371840.db2.gz XMCYZMGYPPSQQY-GHMZBOCLSA-N 0 3 245.319 0.003 20 0 BCADHN CC1(C(=O)NCc2nc3cccnc3[n-]2)C[NH2+]C1 ZINC000646509423 388372340 /nfs/dbraw/zinc/37/23/40/388372340.db2.gz BUAGYGOFDRQDEP-UHFFFAOYSA-N 0 3 245.286 0.184 20 0 BCADHN COC[C@H](O)CNCc1cc(F)ccc1OC ZINC000291286709 388374677 /nfs/dbraw/zinc/37/46/77/388374677.db2.gz VHUODORIPGDVAV-LLVKDONJSA-N 0 3 243.278 0.931 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)Nc1nnc2n1CCCC2 ZINC000646530033 388377272 /nfs/dbraw/zinc/37/72/72/388377272.db2.gz LRBFTANGQCIAMC-SECBINFHSA-N 0 3 249.318 0.551 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@H](N)CC(C)C)no1 ZINC000646535231 388378030 /nfs/dbraw/zinc/37/80/30/388378030.db2.gz OAJXUNHGDKUBJC-SECBINFHSA-N 0 3 240.307 0.710 20 0 BCADHN O[C@@H](CN[C@@H]1CCC[C@H]1O)C(F)(F)F ZINC000236545459 388380718 /nfs/dbraw/zinc/38/07/18/388380718.db2.gz XTAHSQWXPQUDMP-QYNIQEEDSA-N 0 3 213.199 0.413 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000236752938 388381092 /nfs/dbraw/zinc/38/10/92/388381092.db2.gz QPNFGXDQPXQOQK-GUBZILKMSA-N 0 3 216.325 0.493 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000236691204 388382404 /nfs/dbraw/zinc/38/24/04/388382404.db2.gz XSHDCOXGATZSMV-DCAQKATOSA-N 0 3 230.352 0.883 20 0 BCADHN CCCCN(CCOC)C(=O)C1(N)CC1 ZINC000236732077 388382825 /nfs/dbraw/zinc/38/28/25/388382825.db2.gz RZKKHLDXRPXFCJ-UHFFFAOYSA-N 0 3 214.309 0.753 20 0 BCADHN CCCC[C@@H](N)C(=O)Nc1cccn(C)c1=O ZINC000236817253 388383577 /nfs/dbraw/zinc/38/35/77/388383577.db2.gz YDGFSUJVDWLBDG-SECBINFHSA-N 0 3 237.303 0.841 20 0 BCADHN C[C@@H](CO)CNCc1cnn(CC(F)F)c1 ZINC000292891201 388384717 /nfs/dbraw/zinc/38/47/17/388384717.db2.gz DOTBKOCBNWCNJW-MRVPVSSYSA-N 0 3 233.262 0.866 20 0 BCADHN Cc1ccc(NC(=O)[C@H]2C[C@H](O)CN2)cn1 ZINC000164812000 388384948 /nfs/dbraw/zinc/38/49/48/388384948.db2.gz QEHPHYXTUWGILB-VHSXEESVSA-N 0 3 221.260 0.051 20 0 BCADHN CO[C@H](CNCc1ccnn1C)C1CC1 ZINC000293031469 388385222 /nfs/dbraw/zinc/38/52/22/388385222.db2.gz PUDRZACDXNJODW-LLVKDONJSA-N 0 3 209.293 0.935 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CN1CC(C)(C)C1 ZINC000572899162 388385270 /nfs/dbraw/zinc/38/52/70/388385270.db2.gz VFIKCERQAOUJBF-JTQLQIEISA-N 0 3 227.352 0.395 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN1CC[C@H](OC)C1 ZINC000300263491 388385409 /nfs/dbraw/zinc/38/54/09/388385409.db2.gz VIECNKKDKMADAR-SRVKXCTJSA-N 0 3 247.335 0.120 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](C)C[C@@H](C)O ZINC000236902479 388385978 /nfs/dbraw/zinc/38/59/78/388385978.db2.gz JEPPGQAJQYHORS-YIZRAAEISA-N 0 3 202.298 0.247 20 0 BCADHN CC[C@](C)(NC(=O)CN)c1nccs1 ZINC000236917723 388386943 /nfs/dbraw/zinc/38/69/43/388386943.db2.gz HURVTIIQDAMCEX-VIFPVBQESA-N 0 3 213.306 0.843 20 0 BCADHN CCO[C@H]1C[C@@H](N(C)C(=O)CN)C1(C)C ZINC000236950061 388387382 /nfs/dbraw/zinc/38/73/82/388387382.db2.gz WMCQDUBNMNQATN-BDAKNGLRSA-N 0 3 214.309 0.607 20 0 BCADHN CC[C@H](N)C(=O)Nc1cnc(N(C)C)nc1 ZINC000236958482 388387715 /nfs/dbraw/zinc/38/77/15/388387715.db2.gz HJSAOZVYWILGCN-QMMMGPOBSA-N 0 3 223.280 0.218 20 0 BCADHN CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(C)(C)N)C1 ZINC000236955848 388388049 /nfs/dbraw/zinc/38/80/49/388388049.db2.gz QVMCRCVUMPMXLI-BDAKNGLRSA-N 0 3 242.319 0.572 20 0 BCADHN COc1cc(CC(=O)NCCN(C)C)ccn1 ZINC000646578631 388388854 /nfs/dbraw/zinc/38/88/54/388388854.db2.gz VWAUHGXSXSIPDD-UHFFFAOYSA-N 0 3 237.303 0.311 20 0 BCADHN CCOCCC1(CNC(=O)CN)CCC1 ZINC000237035579 388389074 /nfs/dbraw/zinc/38/90/74/388389074.db2.gz FMNVDVYMDZLGHR-UHFFFAOYSA-N 0 3 214.309 0.658 20 0 BCADHN Cc1ccc(N(C)C(=O)[C@H]2C[C@@H](O)CN2)cc1 ZINC000237080355 388389492 /nfs/dbraw/zinc/38/94/92/388389492.db2.gz YJSSQBPXKFHFEP-VXGBXAGGSA-N 0 3 234.299 0.681 20 0 BCADHN Cc1cc(C)cc(N(C)C(=O)[C@H]2C[C@@H](O)CN2)c1 ZINC000237080327 388389898 /nfs/dbraw/zinc/38/98/98/388389898.db2.gz FMIARSNPESCVEV-CHWSQXEVSA-N 0 3 248.326 0.989 20 0 BCADHN COCC[C@H](C)NC(=O)CNC[C@@H]1CCCO1 ZINC000237113421 388390061 /nfs/dbraw/zinc/39/00/61/388390061.db2.gz ZYUDCUVCUCSHDI-QWRGUYRKSA-N 0 3 244.335 0.296 20 0 BCADHN COCCCN(C)C(=O)CNC[C@H]1CCCO1 ZINC000237188214 388390436 /nfs/dbraw/zinc/39/04/36/388390436.db2.gz IIFMWDZWOZBZGW-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN COCCCN(C)C(=O)CNC[C@@H]1CCCO1 ZINC000237188181 388390893 /nfs/dbraw/zinc/39/08/93/388390893.db2.gz IIFMWDZWOZBZGW-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000646664488 388406379 /nfs/dbraw/zinc/40/63/79/388406379.db2.gz RNKPXQLRAWWVFI-URLYPYJESA-N 0 3 226.320 0.025 20 0 BCADHN O=C(CN1C[C@H]2CCC[C@@H]2C1)N1CCNC1=O ZINC000153233973 388393247 /nfs/dbraw/zinc/39/32/47/388393247.db2.gz JVBPUPYBVAFCCJ-NXEZZACHSA-N 0 3 237.303 0.270 20 0 BCADHN Cc1nocc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000402706064 388393520 /nfs/dbraw/zinc/39/35/20/388393520.db2.gz CORYLGMPVYBKHO-HTQZYQBOSA-N 0 3 223.276 0.805 20 0 BCADHN C[C@@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000237370963 388393855 /nfs/dbraw/zinc/39/38/55/388393855.db2.gz JIZUWBGSEVWNFG-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000237370849 388393871 /nfs/dbraw/zinc/39/38/71/388393871.db2.gz JIZUWBGSEVWNFG-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN CSCCCNC(=O)CNC[C@@H]1CCCO1 ZINC000237501620 388395731 /nfs/dbraw/zinc/39/57/31/388395731.db2.gz WIBUIBLUXGTYSN-JTQLQIEISA-N 0 3 246.376 0.624 20 0 BCADHN C[C@H]1CN(C(=O)CNC[C@H]2CCCO2)C[C@H]1C ZINC000237598976 388397172 /nfs/dbraw/zinc/39/71/72/388397172.db2.gz BNRGNVSCPOWBGR-GRYCIOLGSA-N 0 3 240.347 0.869 20 0 BCADHN Cc1cnc([C@@H](NC(=O)CN)C2CC2)s1 ZINC000237795664 388398051 /nfs/dbraw/zinc/39/80/51/388398051.db2.gz XFTAXGBHRFKLKA-VIFPVBQESA-N 0 3 225.317 0.978 20 0 BCADHN Cc1ccc(S(=O)(=O)NC2CNC2)c(F)c1 ZINC000237738356 388398155 /nfs/dbraw/zinc/39/81/55/388398155.db2.gz PICJRNFQVLDHBT-UHFFFAOYSA-N 0 3 244.291 0.384 20 0 BCADHN Cc1cc(S(=O)(=O)NC2CNC2)c(C)o1 ZINC000237785854 388398260 /nfs/dbraw/zinc/39/82/60/388398260.db2.gz IHAHQKINIAMJLR-UHFFFAOYSA-N 0 3 230.289 0.147 20 0 BCADHN CC[C@H](C(N)=O)n1cc([C@@H](N)C(C)C)nn1 ZINC000300863451 388399642 /nfs/dbraw/zinc/39/96/42/388399642.db2.gz GTKWEAYRELVSCK-BDAKNGLRSA-N 0 3 225.296 0.370 20 0 BCADHN CC[C@@]1(C)CCN([C@H]2CC(=O)NC2=O)C1 ZINC000572981213 388402066 /nfs/dbraw/zinc/40/20/66/388402066.db2.gz VQMJZFWJSZWSRM-KWQFWETISA-N 0 3 210.277 0.524 20 0 BCADHN CC[C@H](C(N)=O)N1CCC(CCOC)CC1 ZINC000528575697 388402494 /nfs/dbraw/zinc/40/24/94/388402494.db2.gz YKPBWCWEOXPCQJ-LLVKDONJSA-N 0 3 228.336 0.999 20 0 BCADHN Cc1nc2n(n1)CCN(C(=O)/C=C/CN(C)C)C2 ZINC000492061140 388333416 /nfs/dbraw/zinc/33/34/16/388333416.db2.gz YHBGEWWFDRINCC-SNAWJCMRSA-N 0 3 249.318 0.047 20 0 BCADHN C[NH+](C)C/C=C\C(=O)[N-]OCC(F)(F)F ZINC000492159420 388336959 /nfs/dbraw/zinc/33/69/59/388336959.db2.gz YVDRCQCLSZLURC-ARJAWSKDSA-N 0 3 226.198 0.714 20 0 BCADHN COC[C@@H](O)CN1CC[C@H](c2cccnc2)C1 ZINC000514601098 256680514 /nfs/dbraw/zinc/68/05/14/256680514.db2.gz ZJRFZFVNGHYIBT-STQMWFEESA-N 0 3 236.315 0.878 20 0 BCADHN CC[C@H](O)CNCc1ccc(C(=O)N(C)C)[nH]1 ZINC000492174976 388337433 /nfs/dbraw/zinc/33/74/33/388337433.db2.gz DMGDENQDJVPYBP-JTQLQIEISA-N 0 3 239.319 0.577 20 0 BCADHN CN(C)C/C=C/C(=O)NCC1(CCO)CCC1 ZINC000492204323 388338196 /nfs/dbraw/zinc/33/81/96/388338196.db2.gz YVPGJVTVAWANKO-HWKANZROSA-N 0 3 240.347 0.773 20 0 BCADHN CC(C)[C@@H](O)CNC(=O)/C=C\CN(C)C ZINC000492203792 388338240 /nfs/dbraw/zinc/33/82/40/388338240.db2.gz VDCYKMLLRSLFAX-OMMCCPJFSA-N 0 3 214.309 0.237 20 0 BCADHN CC[C@@H]1CN(C(=O)/C=C\CN(C)C)C[C@@H]1O ZINC000492252819 388339356 /nfs/dbraw/zinc/33/93/56/388339356.db2.gz PJYNNDWIVLCVHW-MXFLAHGMSA-N 0 3 226.320 0.334 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCOC[C@@H]1C1CC1 ZINC000492250216 388339368 /nfs/dbraw/zinc/33/93/68/388339368.db2.gz IDYACRFCGXDDPE-VSQXVHSFSA-N 0 3 238.331 0.742 20 0 BCADHN CC[C@H](CCO)NC(=O)/C=C/CN(C)C ZINC000492260686 388339736 /nfs/dbraw/zinc/33/97/36/388339736.db2.gz CGWAWRBXDRMBHG-BRAIEQGRSA-N 0 3 214.309 0.381 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC[C@H]1C(C)(C)O ZINC000492277273 388340044 /nfs/dbraw/zinc/34/00/44/388340044.db2.gz NVMDVCNBMKZOFZ-JYKYSHPRSA-N 0 3 240.347 0.866 20 0 BCADHN C[C@@H](CN1CC[C@@H](O)C1)NC(=O)OC(C)(C)C ZINC000492278242 388340099 /nfs/dbraw/zinc/34/00/99/388340099.db2.gz PNBYFHKRFTZYMH-VHSXEESVSA-N 0 3 244.335 0.966 20 0 BCADHN C[C@H](CN1CC[C@@H](O)C1)NC(=O)OC(C)(C)C ZINC000492278241 388340148 /nfs/dbraw/zinc/34/01/48/388340148.db2.gz PNBYFHKRFTZYMH-NXEZZACHSA-N 0 3 244.335 0.966 20 0 BCADHN CC(C)(C)[C@H](CO)NCC(=O)N1CCCCC1 ZINC000330821592 388444711 /nfs/dbraw/zinc/44/47/11/388444711.db2.gz NLGSONUSKMVHRS-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CN(C)CC(C)(C)NCC(=O)NC(C)(C)C ZINC000308632953 388446621 /nfs/dbraw/zinc/44/66/21/388446621.db2.gz UDQUXQCKEMHLTI-UHFFFAOYSA-N 0 3 229.368 0.831 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@](C)(O)C1 ZINC000177356830 388481969 /nfs/dbraw/zinc/48/19/69/388481969.db2.gz KTGMICMBTWIARK-LLVKDONJSA-N 0 3 214.309 0.312 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1ccc(=O)[nH]c1 ZINC000308679792 388447753 /nfs/dbraw/zinc/44/77/53/388447753.db2.gz YMYJYTUGBWAKCA-UHFFFAOYSA-N 0 3 237.303 0.857 20 0 BCADHN C[C@@]1(CNC(=O)C2(N)CCC2)CCOC1 ZINC000335013104 388448147 /nfs/dbraw/zinc/44/81/47/388448147.db2.gz HOOHWDBCFIOXHV-JTQLQIEISA-N 0 3 212.293 0.411 20 0 BCADHN N[C@H](C(=O)Nc1ccncc1)C1CCC1 ZINC000335067105 388448620 /nfs/dbraw/zinc/44/86/20/388448620.db2.gz JCRXKSDWIJXQRH-JTQLQIEISA-N 0 3 205.261 0.569 20 0 BCADHN CC[C@](C)(CN[C@H]1CCCS(=O)(=O)C1)OC ZINC000322912377 388450024 /nfs/dbraw/zinc/45/00/24/388450024.db2.gz IYFDXIHZGVUSNB-WDEREUQCSA-N 0 3 249.376 0.968 20 0 BCADHN O=S(=O)(CCC1CC1)N1CCCNCC1 ZINC000261536646 135172178 /nfs/dbraw/zinc/17/21/78/135172178.db2.gz SJBLUNALCYCPFB-UHFFFAOYSA-N 0 3 232.349 0.412 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC2(O)CCC2)CCCO1 ZINC000528367532 388451677 /nfs/dbraw/zinc/45/16/77/388451677.db2.gz JINCDWUEPKDHFW-VXGBXAGGSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCN(C)C[C@@H]1C ZINC000335663458 388454180 /nfs/dbraw/zinc/45/41/80/388454180.db2.gz PYCQIEIAPXJIRZ-UWVGGRQHSA-N 0 3 225.336 0.289 20 0 BCADHN CN(C)[C@H]1CN(C(=O)CC(F)(F)F)C[C@@H]1O ZINC000515332452 256741775 /nfs/dbraw/zinc/74/17/75/256741775.db2.gz GQWGRKHTWPYJOJ-BQBZGAKWSA-N 0 3 240.225 0.072 20 0 BCADHN C[C@@H](C(=O)N1CCNC(C)(C)C1)n1cccn1 ZINC000336067946 388456519 /nfs/dbraw/zinc/45/65/19/388456519.db2.gz UVOFRJPCIQLLQC-JTQLQIEISA-N 0 3 236.319 0.655 20 0 BCADHN C[C@]1(CNC(=O)[C@H]2CCCCN2)CCOC1 ZINC000336099408 388456843 /nfs/dbraw/zinc/45/68/43/388456843.db2.gz QSHKEWAIYJZIBZ-ZYHUDNBSSA-N 0 3 226.320 0.671 20 0 BCADHN CCc1cc(=NC(=O)[C@@H]2CCN(C)[C@@H]2C)[nH][nH]1 ZINC000649210414 388459034 /nfs/dbraw/zinc/45/90/34/388459034.db2.gz QOXATBIJIAMUPX-PSASIEDQSA-N 0 3 236.319 0.673 20 0 BCADHN C[C@H](O)[C@H](C)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000514932317 388460460 /nfs/dbraw/zinc/46/04/60/388460460.db2.gz IJCSYTUFGBDINZ-UKKRHICBSA-N 0 3 226.320 0.499 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CSC[C@@H]1C ZINC000336678074 388461483 /nfs/dbraw/zinc/46/14/83/388461483.db2.gz DTKODZQKFAEFFE-YIZRAAEISA-N 0 3 237.390 0.761 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CSC[C@@H]1C ZINC000336678070 388462410 /nfs/dbraw/zinc/46/24/10/388462410.db2.gz DTKODZQKFAEFFE-DJLDLDEBSA-N 0 3 237.390 0.761 20 0 BCADHN COC[C@@H](CN[C@H](C)c1cn[nH]c1)OC ZINC000336693808 388463107 /nfs/dbraw/zinc/46/31/07/388463107.db2.gz NMVYIPBXAFIGBX-PSASIEDQSA-N 0 3 213.281 0.722 20 0 BCADHN Cc1cn[nH]c1CNC(C)(C)CS(C)(=O)=O ZINC000336713480 388467037 /nfs/dbraw/zinc/46/70/37/388467037.db2.gz UHRBOMROVRDHDL-UHFFFAOYSA-N 0 3 245.348 0.631 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCn1ccnc1C ZINC000336715712 388467648 /nfs/dbraw/zinc/46/76/48/388467648.db2.gz SVHDKPNANVMOBR-MWLCHTKSSA-N 0 3 238.335 0.681 20 0 BCADHN O[C@H]1C[C@@H](NCc2cnc3ccccn23)C1 ZINC000648848312 388468478 /nfs/dbraw/zinc/46/84/78/388468478.db2.gz MNEASRYRHDKHNS-JGZJWPJOSA-N 0 3 217.272 0.947 20 0 BCADHN C/C=C\C[C@H](CO)N[C@H]1CCCS(=O)(=O)C1 ZINC000309920278 388468849 /nfs/dbraw/zinc/46/88/49/388468849.db2.gz RPLXXPGBPXLREO-UZAOFVRNSA-N 0 3 247.360 0.480 20 0 BCADHN CN(C[C@H](O)CN1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000336720650 388469118 /nfs/dbraw/zinc/46/91/18/388469118.db2.gz SGQJRMRIDBMXLU-RWMBFGLXSA-N 0 3 240.347 0.305 20 0 BCADHN CNC(=O)[C@@H](NC[C@H]1CC[C@H](C)O1)C(C)C ZINC000309961776 388469617 /nfs/dbraw/zinc/46/96/17/388469617.db2.gz LPNYPMQTVWAYBE-AXFHLTTASA-N 0 3 228.336 0.914 20 0 BCADHN CN(C)CCNC(=O)COCc1ccccc1 ZINC000193919812 388470830 /nfs/dbraw/zinc/47/08/30/388470830.db2.gz HQUVUKHEVKRHSS-UHFFFAOYSA-N 0 3 236.315 0.881 20 0 BCADHN CCNC(=O)NC(=O)CN(C)CCC(C)C ZINC000193983769 388474251 /nfs/dbraw/zinc/47/42/51/388474251.db2.gz FKNVMCZDAVLPMQ-UHFFFAOYSA-N 0 3 229.324 0.810 20 0 BCADHN Cc1c(CN[C@H]2CCO[C@H]2C)cnn1C ZINC000134246757 388475125 /nfs/dbraw/zinc/47/51/25/388475125.db2.gz WJRFBKKLQMHUOP-ONGXEEELSA-N 0 3 209.293 0.996 20 0 BCADHN CSCC[C@H](N)C(=O)N(C)[C@H]1CCOC1 ZINC000134161507 388475423 /nfs/dbraw/zinc/47/54/23/388475423.db2.gz IADMQWWTHRPMOB-IUCAKERBSA-N 0 3 232.349 0.314 20 0 BCADHN C[C@@H](O)[C@H](C)NCc1nnc(-c2ccncc2)[nH]1 ZINC000516454440 388477108 /nfs/dbraw/zinc/47/71/08/388477108.db2.gz QANNVWYOMAZLPL-DTWKUNHWSA-N 0 3 247.302 0.726 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)[C@H]1CCOC1 ZINC000134687879 388478142 /nfs/dbraw/zinc/47/81/42/388478142.db2.gz PXAOOSBNTGNVIH-DTWKUNHWSA-N 0 3 200.282 0.217 20 0 BCADHN Cc1ncc(CNCCn2cccn2)n1C ZINC000573021586 388407457 /nfs/dbraw/zinc/40/74/57/388407457.db2.gz FCNLCXUQKWUPDW-UHFFFAOYSA-N 0 3 219.292 0.715 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccc(C(C)=O)c(C)n1 ZINC000573019520 388407864 /nfs/dbraw/zinc/40/78/64/388407864.db2.gz ZUNQQJJDUMIQTH-VIFPVBQESA-N 0 3 249.314 0.817 20 0 BCADHN CCOCC(=O)NCCN1CC[C@@H](C)C1 ZINC000524775031 388409528 /nfs/dbraw/zinc/40/95/28/388409528.db2.gz MYWNLNQRBJMIHH-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@@H]2CCOC2)C1 ZINC000524775838 388409555 /nfs/dbraw/zinc/40/95/55/388409555.db2.gz VVVKYFWSAOIRPS-GHMZBOCLSA-N 0 3 226.320 0.481 20 0 BCADHN COC1(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000648818995 388412124 /nfs/dbraw/zinc/41/21/24/388412124.db2.gz SNKPOSPJMQAJRY-NXEZZACHSA-N 0 3 238.331 0.907 20 0 BCADHN COC1(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000648822154 388414075 /nfs/dbraw/zinc/41/40/75/388414075.db2.gz MAJZUAISAZKFSH-ONGXEEELSA-N 0 3 238.331 0.764 20 0 BCADHN COC[C@@H](C)NC(=O)[C@@H](N)CCSC ZINC000040458055 388417020 /nfs/dbraw/zinc/41/70/20/388417020.db2.gz PMCGFMCORPMRHS-SFYZADRCSA-N 0 3 220.338 0.218 20 0 BCADHN CC(C)c1nc(CN[C@@H](C)[C@@H](C)O)n[nH]1 ZINC000573084168 388419069 /nfs/dbraw/zinc/41/90/69/388419069.db2.gz UWHRNEFTKRFFOT-JGVFFNPUSA-N 0 3 212.297 0.787 20 0 BCADHN CC1(C(N)=O)CN(C[C@H](O)Cc2ccccc2)C1 ZINC000573115574 388420341 /nfs/dbraw/zinc/42/03/41/388420341.db2.gz CDIDBBBYUGLNQR-GFCCVEGCSA-N 0 3 248.326 0.397 20 0 BCADHN Cc1nnc(NC(=O)[C@H](C)NC2CC2)s1 ZINC000296550705 388423720 /nfs/dbraw/zinc/42/37/20/388423720.db2.gz UNORNQBHROIWKB-YFKPBYRVSA-N 0 3 226.305 0.926 20 0 BCADHN Cc1n[nH]cc1CN[C@H]1CCCN(C)C1 ZINC000040672824 388424032 /nfs/dbraw/zinc/42/40/32/388424032.db2.gz VEBBYJBCFWSKSU-NSHDSACASA-N 0 3 208.309 0.902 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1CCc1cnn(C)c1 ZINC000296512378 388424071 /nfs/dbraw/zinc/42/40/71/388424071.db2.gz ZQWVJGFEEHILAT-ZYHUDNBSSA-N 0 3 223.320 0.808 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2cnn(C)c2)C1 ZINC000525292106 388424752 /nfs/dbraw/zinc/42/47/52/388424752.db2.gz ISTSONLTYNHBTM-SNVBAGLBSA-N 0 3 236.319 0.492 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@H]2CCCOC2)C1 ZINC000525291492 388424830 /nfs/dbraw/zinc/42/48/30/388424830.db2.gz IPLSZVDMVDMMDD-RYUDHWBXSA-N 0 3 240.347 0.871 20 0 BCADHN Cc1cc(CC(=O)N[C@@H]2CCN(C3CC3)C2)no1 ZINC000525313423 388425981 /nfs/dbraw/zinc/42/59/81/388425981.db2.gz LQXFXHDNWOWLKY-SNVBAGLBSA-N 0 3 249.314 0.878 20 0 BCADHN CN(CC1(O)CCS(=O)(=O)CC1)C(C)(C)C ZINC000573158623 388426146 /nfs/dbraw/zinc/42/61/46/388426146.db2.gz NGEWIQVUZJRODR-UHFFFAOYSA-N 0 3 249.376 0.656 20 0 BCADHN C[C@H](NCCCNS(C)(=O)=O)c1ccoc1 ZINC000166536405 388428400 /nfs/dbraw/zinc/42/84/00/388428400.db2.gz OSIJJDITHGWPAW-VIFPVBQESA-N 0 3 246.332 0.870 20 0 BCADHN COC(=O)[C@H]1CCCN(CCc2cn[nH]c2)C1 ZINC000297587117 388430691 /nfs/dbraw/zinc/43/06/91/388430691.db2.gz DUQQNTXYQDSGSA-NSHDSACASA-N 0 3 237.303 0.837 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)OC1CCC1 ZINC000322356538 388432034 /nfs/dbraw/zinc/43/20/34/388432034.db2.gz GVZUOHZRJBVWBE-LLVKDONJSA-N 0 3 230.308 0.578 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCNC2=O)C[C@H]1C ZINC000245907170 388435299 /nfs/dbraw/zinc/43/52/99/388435299.db2.gz LYDIDFRRFNZBLO-NXEZZACHSA-N 0 3 239.319 0.516 20 0 BCADHN CC(C)N1CC[C@@H](N2CCC[C@](C)(O)C2)C1=O ZINC000245961937 388436117 /nfs/dbraw/zinc/43/61/17/388436117.db2.gz VAPJGZCMEGFOPH-YPMHNXCESA-N 0 3 240.347 0.843 20 0 BCADHN Cc1ccc(CN2CC[C@](O)(C(N)=O)C2)cc1 ZINC000298348839 388438586 /nfs/dbraw/zinc/43/85/86/388438586.db2.gz BUCZXUOWEAZRKX-CYBMUJFWSA-N 0 3 234.299 0.417 20 0 BCADHN CC(C)[C@@](C)(CO)NCC(=O)N1CCCCC1 ZINC000352890360 388539632 /nfs/dbraw/zinc/53/96/32/388539632.db2.gz CSQWQEVXJRPCLA-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)n1ccc(CNC(=O)C2(N)CCC2)n1 ZINC000517137167 388539767 /nfs/dbraw/zinc/53/97/67/388539767.db2.gz AQOPJYPAYHKYJC-UHFFFAOYSA-N 0 3 236.319 0.962 20 0 BCADHN NC1(C(=O)N2CCc3cc[nH]c(=O)c3C2)CC1 ZINC000517148470 388539950 /nfs/dbraw/zinc/53/99/50/388539950.db2.gz GUDFPTWQGYKBCI-UHFFFAOYSA-N 0 3 233.271 0.163 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC(C)(CO)C2)C1 ZINC000516491143 256776768 /nfs/dbraw/zinc/77/67/68/256776768.db2.gz WTDGBIKYVUSTDN-SNVBAGLBSA-N 0 3 226.320 0.169 20 0 BCADHN CSC[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000517191363 388541248 /nfs/dbraw/zinc/54/12/48/388541248.db2.gz IKCITAMWNXKEFY-UTLUCORTSA-N 0 3 246.376 0.119 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@H](C)C[C@H](C)O ZINC000353212597 388541196 /nfs/dbraw/zinc/54/11/96/388541196.db2.gz MAAPUCXOTLJAPK-UTLUCORTSA-N 0 3 248.392 0.590 20 0 BCADHN C[C@H](O)CN[C@@H]1CCCN(c2cccnc2)C1=O ZINC000517231864 388543884 /nfs/dbraw/zinc/54/38/84/388543884.db2.gz SITXSENMQFYOAJ-CMPLNLGQSA-N 0 3 249.314 0.547 20 0 BCADHN Cc1cncn1CC(=O)NC[C@H]1CCCN1C ZINC000528562404 388546863 /nfs/dbraw/zinc/54/68/63/388546863.db2.gz PSPJTSLFBCKMGL-LLVKDONJSA-N 0 3 236.319 0.402 20 0 BCADHN COC[C@](C)(O)CNCc1conc1C ZINC000378706923 388483383 /nfs/dbraw/zinc/48/33/83/388483383.db2.gz QIHBANXISPUUOD-SNVBAGLBSA-N 0 3 214.265 0.470 20 0 BCADHN CC(C)[C@@H]1CN([C@H]2COC[C@H]2O)CCCO1 ZINC000339811734 388487420 /nfs/dbraw/zinc/48/74/20/388487420.db2.gz LAJXPSSJNOBBEL-TUAOUCFPSA-N 0 3 229.320 0.493 20 0 BCADHN CCCCN(C)C(=O)C1CCN(CCO)CC1 ZINC000177688881 388489006 /nfs/dbraw/zinc/48/90/06/388489006.db2.gz IVQCYZCHVCKDIJ-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN CO[C@H](CN[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000378730178 388489460 /nfs/dbraw/zinc/48/94/60/388489460.db2.gz CVDBSJFGIAVCDK-VHSXEESVSA-N 0 3 233.333 0.188 20 0 BCADHN CN1CCC[C@H](CNC(=O)CCCC(N)=O)C1 ZINC000547868045 388494299 /nfs/dbraw/zinc/49/42/99/388494299.db2.gz TVFQDAWNPZUUHK-SNVBAGLBSA-N 0 3 241.335 0.100 20 0 BCADHN Cn1nncc1CNC[C@H]1CCC[C@@H](CO)C1 ZINC000342270375 388497773 /nfs/dbraw/zinc/49/77/73/388497773.db2.gz QJBVAMGYYQAXBV-WDEREUQCSA-N 0 3 238.335 0.703 20 0 BCADHN CN(CC(=O)N(C)CC1CC1)C[C@H]1CCOC1 ZINC000178344307 388497957 /nfs/dbraw/zinc/49/79/57/388497957.db2.gz XUKMZBFCOOMTBT-GFCCVEGCSA-N 0 3 240.347 0.823 20 0 BCADHN C[C@@H](C[S@](C)=O)N(C)CCC(C)(C)O ZINC000342665416 388498033 /nfs/dbraw/zinc/49/80/33/388498033.db2.gz SWGDWAJPBGDFAD-XPTSAGLGSA-N 0 3 221.366 0.846 20 0 BCADHN CN(CC(=O)N1CCCCC1)C[C@H]1CCOC1 ZINC000178345156 388498646 /nfs/dbraw/zinc/49/86/46/388498646.db2.gz LPEOSSCSDRZLBX-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN CN1CC=C(CNC(=O)N[C@H]2CCOC2)CC1 ZINC000343717627 388502252 /nfs/dbraw/zinc/50/22/52/388502252.db2.gz QQMOKCPMVPHKIZ-NSHDSACASA-N 0 3 239.319 0.336 20 0 BCADHN CC(C)(O)CCN1CCSC[C@H]1CO ZINC000343717947 388502455 /nfs/dbraw/zinc/50/24/55/388502455.db2.gz KPQNGCVCGMSXQR-SECBINFHSA-N 0 3 219.350 0.557 20 0 BCADHN CCC[C@@H](CNC1COCCOC1)OC ZINC000378788699 388504429 /nfs/dbraw/zinc/50/44/29/388504429.db2.gz PWVCZQTXIYQXRU-NSHDSACASA-N 0 3 217.309 0.807 20 0 BCADHN CCC[C@H](CN[C@@H](C)C(=O)NCC)OC ZINC000378788036 388504602 /nfs/dbraw/zinc/50/46/02/388504602.db2.gz HLJRKHWZNWQLGY-VHSXEESVSA-N 0 3 216.325 0.916 20 0 BCADHN CC(C)(C)OC(=O)[C@@H]1CCN(CCO)C1 ZINC000178838197 388505901 /nfs/dbraw/zinc/50/59/01/388505901.db2.gz BYQMWSAGFGRSBP-SECBINFHSA-N 0 3 215.293 0.642 20 0 BCADHN CC[C@@]1(NCC(=O)NCCCOC)CCOC1 ZINC000378807273 388507728 /nfs/dbraw/zinc/50/77/28/388507728.db2.gz WUNDOQSASTYKNN-GFCCVEGCSA-N 0 3 244.335 0.298 20 0 BCADHN c1cn(CCCN[C@@H]2CCn3ccnc32)nn1 ZINC000345341948 388510688 /nfs/dbraw/zinc/51/06/88/388510688.db2.gz FHBQYGGMXSHICW-SNVBAGLBSA-N 0 3 232.291 0.599 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)NC1(C2CC2)CC1 ZINC000516685512 388513302 /nfs/dbraw/zinc/51/33/02/388513302.db2.gz XEMSJYFCYMGKHM-QMMMGPOBSA-N 0 3 240.303 0.196 20 0 BCADHN CN(CCC(=O)N1CC(CO)C1)c1ccncc1 ZINC000548137794 388515208 /nfs/dbraw/zinc/51/52/08/388515208.db2.gz ZEIPNRQWCLEENV-UHFFFAOYSA-N 0 3 249.314 0.359 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)[C@H](C)O ZINC000648955615 388516417 /nfs/dbraw/zinc/51/64/17/388516417.db2.gz LAQIPKGQNLVWLE-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)[C@H](C)O ZINC000648955614 388517223 /nfs/dbraw/zinc/51/72/23/388517223.db2.gz LAQIPKGQNLVWLE-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN CNC(=O)[C@H](C)C[N@H+](C)Cc1ncccc1[O-] ZINC000516814336 388518165 /nfs/dbraw/zinc/51/81/65/388518165.db2.gz OMPHNPVWQHMGLB-SECBINFHSA-N 0 3 237.303 0.601 20 0 BCADHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1ncccc1[O-] ZINC000516814336 388518168 /nfs/dbraw/zinc/51/81/68/388518168.db2.gz OMPHNPVWQHMGLB-SECBINFHSA-N 0 3 237.303 0.601 20 0 BCADHN Cc1ncc(CNCCc2cn(C)cn2)n1C ZINC000516787407 388518307 /nfs/dbraw/zinc/51/83/07/388518307.db2.gz VLGBFINHTUZZSG-UHFFFAOYSA-N 0 3 233.319 0.794 20 0 BCADHN C[C@@]1(O)CCN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000528399374 388519893 /nfs/dbraw/zinc/51/98/93/388519893.db2.gz WHKYUHPTKXNNPT-WDEREUQCSA-N 0 3 229.320 0.109 20 0 BCADHN COC[C@@H](NC(=O)[C@H](N)CC(F)F)C1CC1 ZINC000347674573 388523232 /nfs/dbraw/zinc/52/32/32/388523232.db2.gz SAJXPAWWAQFMGN-HTQZYQBOSA-N 0 3 236.262 0.510 20 0 BCADHN C[C@H](N(C)CC(=O)NC1CC1)C(C)(C)O ZINC000347726912 388523782 /nfs/dbraw/zinc/52/37/82/388523782.db2.gz KGPCVJCUACBICE-QMMMGPOBSA-N 0 3 214.309 0.356 20 0 BCADHN C[C@]1(O)CCCN(C[C@H](O)CC2(O)CCC2)C1 ZINC000528433373 388525158 /nfs/dbraw/zinc/52/51/58/388525158.db2.gz RFDKPSYGFBQPIH-NEPJUHHUSA-N 0 3 243.347 0.499 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cccc2c1CCN2 ZINC000516921460 388525336 /nfs/dbraw/zinc/52/53/36/388525336.db2.gz FENJPXUJYVAYBL-NSHDSACASA-N 0 3 235.287 0.567 20 0 BCADHN COC[C@H](C)N[C@@H]1CS(=O)(=O)C[C@H]1C ZINC000348159611 388526514 /nfs/dbraw/zinc/52/65/14/388526514.db2.gz KHNGCSBRJRVFNT-HRDYMLBCSA-N 0 3 221.322 0.044 20 0 BCADHN O[C@@H](CN1CC=CCC1)CC1(O)CCC1 ZINC000528439349 388526744 /nfs/dbraw/zinc/52/67/44/388526744.db2.gz MUPRHDFJWBBCPU-LLVKDONJSA-N 0 3 211.305 0.914 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCN(C)C2=O)CC[C@@H]1O ZINC000548302582 388527209 /nfs/dbraw/zinc/52/72/09/388527209.db2.gz KSCCRCWKKUQNNM-MXWKQRLJSA-N 0 3 226.320 0.310 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN[C@@H]1CCC[C@@H]1F ZINC000516965935 388528529 /nfs/dbraw/zinc/52/85/29/388528529.db2.gz RNSHKTIAEUKFIN-WHOHXGKFSA-N 0 3 249.326 0.879 20 0 BCADHN COCCCN1CCNC[C@@H]1C(F)F ZINC000516971301 388529635 /nfs/dbraw/zinc/52/96/35/388529635.db2.gz SDGLLUWNDPEXNI-MRVPVSSYSA-N 0 3 208.252 0.562 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC2(O)CCC2)CC[C@@H]1O ZINC000528464482 388529850 /nfs/dbraw/zinc/52/98/50/388529850.db2.gz LYXVUQPNVJQYDF-UTUOFQBUSA-N 0 3 243.347 0.355 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC2(O)CCC2)CC[C@H]1O ZINC000528464480 388530167 /nfs/dbraw/zinc/53/01/67/388530167.db2.gz LYXVUQPNVJQYDF-GRYCIOLGSA-N 0 3 243.347 0.355 20 0 BCADHN COC(=O)c1cn(CCNCC2(F)CC2)nn1 ZINC000516199334 256768655 /nfs/dbraw/zinc/76/86/55/256768655.db2.gz ADDPZCAGDBESNX-UHFFFAOYSA-N 0 3 242.254 0.156 20 0 BCADHN NS(=O)(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000528471406 388531202 /nfs/dbraw/zinc/53/12/02/388531202.db2.gz CHVURFYZBATRIR-JTQLQIEISA-N 0 3 247.364 0.187 20 0 BCADHN CCn1cc(CC(=O)N(C)CCN(C)C)cn1 ZINC000548366224 388531352 /nfs/dbraw/zinc/53/13/52/388531352.db2.gz SGQBSVHLJHQMPI-UHFFFAOYSA-N 0 3 238.335 0.466 20 0 BCADHN CC[C@H]([NH3+])C(=O)NCc1ncccc1[O-] ZINC000517029084 388533297 /nfs/dbraw/zinc/53/32/97/388533297.db2.gz YPTDBMAHUGEPIV-ZETCQYMHSA-N 0 3 209.249 0.141 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cc(C(=O)OC)n(C)c1 ZINC000517028422 388533587 /nfs/dbraw/zinc/53/35/87/388533587.db2.gz CZOHWUYFGWAKHJ-MRVPVSSYSA-N 0 3 239.275 0.488 20 0 BCADHN C[C@H]1C[C@H](C)N1CCCS(=O)(=O)N(C)C ZINC000548424267 388535840 /nfs/dbraw/zinc/53/58/40/388535840.db2.gz DDMCUUSHBIYRRK-UWVGGRQHSA-N 0 3 234.365 0.751 20 0 BCADHN O=C(CN[C@@H](CO)C1CCCC1)NCC1CC1 ZINC000352620444 388536391 /nfs/dbraw/zinc/53/63/91/388536391.db2.gz DJTJJQPFNHEKDV-LBPRGKRZSA-N 0 3 240.347 0.653 20 0 BCADHN CNCC(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000082611879 388587753 /nfs/dbraw/zinc/58/77/53/388587753.db2.gz DQUXASUZPGVEDS-UHFFFAOYSA-N 0 3 247.298 0.754 20 0 BCADHN COC[C@H](CCO)NCc1c[nH]nc1C ZINC000219136160 388588612 /nfs/dbraw/zinc/58/86/12/388588612.db2.gz MTJTVMGKRBIMLG-JTQLQIEISA-N 0 3 213.281 0.205 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000529792882 388589558 /nfs/dbraw/zinc/58/95/58/388589558.db2.gz HGJJTGYOXMDMIQ-RNCFNFMXSA-N 0 3 249.314 0.944 20 0 BCADHN CNCC(=O)NCCN1Cc2ccccc2C1 ZINC000649306112 388590799 /nfs/dbraw/zinc/59/07/99/388590799.db2.gz AUOGLTYOBOVHMG-UHFFFAOYSA-N 0 3 233.315 0.338 20 0 BCADHN C[C@H](N)C(=O)NCCN1Cc2ccccc2C1 ZINC000649306229 388591369 /nfs/dbraw/zinc/59/13/69/388591369.db2.gz GZWBJUZBRVZXLI-JTQLQIEISA-N 0 3 233.315 0.466 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)CCOC ZINC000081711959 388591446 /nfs/dbraw/zinc/59/14/46/388591446.db2.gz HUCLCNGHBOFPGD-UTLUCORTSA-N 0 3 216.325 0.901 20 0 BCADHN CN[C@@H](C)C(=O)N1CCCC[C@@H]1C(=O)OC ZINC000054074927 388593395 /nfs/dbraw/zinc/59/33/95/388593395.db2.gz XWNLVZGQIOQZTH-DTWKUNHWSA-N 0 3 228.292 0.148 20 0 BCADHN C[C@@H](O)CCN(C)[C@H]1CCCCNC1=O ZINC000245625978 388595019 /nfs/dbraw/zinc/59/50/19/388595019.db2.gz PAJXJNUTVBWYPJ-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@@H]1CCCN(C)C1 ZINC000081900949 388597637 /nfs/dbraw/zinc/59/76/37/388597637.db2.gz ZSUQLLDNXFLCMI-MNOVXSKESA-N 0 3 248.392 0.351 20 0 BCADHN CCN1CC[C@H]2OCCN(C[C@@H](C)OC)[C@H]2C1 ZINC000550215753 388602304 /nfs/dbraw/zinc/60/23/04/388602304.db2.gz KZWVIUDBTBNOHT-FRRDWIJNSA-N 0 3 242.363 0.816 20 0 BCADHN CCNC(=O)CN[C@H](C)[C@H]1CCCCO1 ZINC000379272322 388604788 /nfs/dbraw/zinc/60/47/88/388604788.db2.gz WUWAFFWLMQSFOF-NXEZZACHSA-N 0 3 214.309 0.670 20 0 BCADHN COC(C)(C)CN(C)C[C@@H]1CNCCO1 ZINC000379292715 388605247 /nfs/dbraw/zinc/60/52/47/388605247.db2.gz KZSHFVRDDBICEJ-JTQLQIEISA-N 0 3 216.325 0.332 20 0 BCADHN CNC(=O)[C@H]1CCCN1CC[C@@H]1CCCO1 ZINC000188875954 388612286 /nfs/dbraw/zinc/61/22/86/388612286.db2.gz GLICUGPTMQLFFM-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CC[C@@H]1CCCO1 ZINC000188875941 388613072 /nfs/dbraw/zinc/61/30/72/388613072.db2.gz GLICUGPTMQLFFM-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N(C)CC1CC1 ZINC000080052910 388551962 /nfs/dbraw/zinc/55/19/62/388551962.db2.gz XOWGUBJBWLREBW-QMMMGPOBSA-N 0 3 228.292 0.006 20 0 BCADHN CC1(C(N)=O)CN(CC[C@@H]2CCCCO2)C1 ZINC000517562412 388553266 /nfs/dbraw/zinc/55/32/66/388553266.db2.gz QAXSNJZBZKHBQC-JTQLQIEISA-N 0 3 226.320 0.753 20 0 BCADHN CC(C)C[C@@H](C)N1C[C@H](O)C[C@H]1C(N)=O ZINC000528637317 388555023 /nfs/dbraw/zinc/55/50/23/388555023.db2.gz VQRSDAPIYJWLOL-BBBLOLIVSA-N 0 3 214.309 0.342 20 0 BCADHN CN1CCC[C@@H]1CN[C@H]1CCCS(=O)(=O)C1 ZINC000246082257 388615669 /nfs/dbraw/zinc/61/56/69/388615669.db2.gz VEZOFTHSQDGERX-WDEREUQCSA-N 0 3 246.376 0.247 20 0 BCADHN CO[C@@H](C)CN1CCC(F)(F)[C@@H](CO)C1 ZINC000361405685 388559109 /nfs/dbraw/zinc/55/91/09/388559109.db2.gz XYBYHAAGAMBIBV-DTWKUNHWSA-N 0 3 223.263 0.971 20 0 BCADHN Cc1nn(C[C@H](O)CN(C)C2CC2)c(=O)s1 ZINC000521027682 388559713 /nfs/dbraw/zinc/55/97/13/388559713.db2.gz KBGHZNXHKXKCGA-SECBINFHSA-N 0 3 243.332 0.068 20 0 BCADHN CN(C)C1(CNc2ccncc2C(N)=O)CC1 ZINC000521009057 388560093 /nfs/dbraw/zinc/56/00/93/388560093.db2.gz LNRBFUBVAYYVLX-UHFFFAOYSA-N 0 3 234.303 0.109 20 0 BCADHN COCC[C@@H]1CCCCN(C(=O)[C@H](C)N)C1 ZINC000521046445 388561311 /nfs/dbraw/zinc/56/13/11/388561311.db2.gz PILJGZFOPXMJEB-QWRGUYRKSA-N 0 3 228.336 0.999 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@@H]2CCN(C)C2)n1 ZINC000521073230 388561876 /nfs/dbraw/zinc/56/18/76/388561876.db2.gz KHIXHOGFXACING-VXNVDRBHSA-N 0 3 238.291 0.507 20 0 BCADHN CCCN(CC)CCNS(=O)(=O)N(C)C ZINC000080791905 388562163 /nfs/dbraw/zinc/56/21/63/388562163.db2.gz JUQQNSPUODSSAY-UHFFFAOYSA-N 0 3 237.369 0.114 20 0 BCADHN CC(=O)c1ccc(C(=O)N[C@@H](CN)C2CC2)o1 ZINC000521226996 388565461 /nfs/dbraw/zinc/56/54/61/388565461.db2.gz SXFHHAKOQWMEMF-VIFPVBQESA-N 0 3 236.271 0.949 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)NC1CC1 ZINC000528751575 388566054 /nfs/dbraw/zinc/56/60/54/388566054.db2.gz ITIDVRKNZXHUMP-SREGZZRCSA-N 0 3 226.320 0.667 20 0 BCADHN C[C@H](N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C(=O)N(C)C ZINC000528752414 388566107 /nfs/dbraw/zinc/56/61/07/388566107.db2.gz KKGZIQDFVAVOFD-NMUGVGKYSA-N 0 3 228.336 0.865 20 0 BCADHN CC(C)[C@H](O)CN1CCN(c2ncc[nH]2)CC1 ZINC000521267531 388566564 /nfs/dbraw/zinc/56/65/64/388566564.db2.gz RSGMXJZZDSHLMQ-LLVKDONJSA-N 0 3 238.335 0.549 20 0 BCADHN CC(=O)CCC(=O)NCCN1CC[C@@H](C)C1 ZINC000548864408 388566584 /nfs/dbraw/zinc/56/65/84/388566584.db2.gz SBFLGUURIXMPAL-SNVBAGLBSA-N 0 3 226.320 0.814 20 0 BCADHN C[C@H](N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C(N)=O ZINC000528756022 388567506 /nfs/dbraw/zinc/56/75/06/388567506.db2.gz MHHRJHBKRUKANE-LJASKYJCSA-N 0 3 200.282 0.262 20 0 BCADHN CCN(CCO)CCNC(=O)C[C@@H]1C=CCC1 ZINC000183938218 388572049 /nfs/dbraw/zinc/57/20/49/388572049.db2.gz TYESKUYHQYSSMG-GFCCVEGCSA-N 0 3 240.347 0.773 20 0 BCADHN C[C@@H](O)CN1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528789896 388573784 /nfs/dbraw/zinc/57/37/84/388573784.db2.gz UKWAORCLCWFGIM-PSASIEDQSA-N 0 3 223.276 0.700 20 0 BCADHN C[C@@H]1C[C@H](C)N1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000549173444 388574672 /nfs/dbraw/zinc/57/46/72/388574672.db2.gz LZLCZAAZDKZWSC-AXFHLTTASA-N 0 3 246.376 0.751 20 0 BCADHN CCCNC(=O)CCCN1CCC(O)CC1 ZINC000517584009 256829237 /nfs/dbraw/zinc/82/92/37/256829237.db2.gz OPMNMHKRAJFPAY-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cc[nH]n2)[C@H]1C ZINC000261543395 388582917 /nfs/dbraw/zinc/58/29/17/388582917.db2.gz HRAQSXKHMXUPAB-SFYZADRCSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccn[nH]2)[C@H]1C ZINC000261543395 388582920 /nfs/dbraw/zinc/58/29/20/388582920.db2.gz HRAQSXKHMXUPAB-SFYZADRCSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@H]1CN(Cc2ccnc(N)c2)CC[C@H]1O ZINC000253205834 388586097 /nfs/dbraw/zinc/58/60/97/388586097.db2.gz WPSHTXNRXQERES-GXSJLCMTSA-N 0 3 221.304 0.867 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1cc(C)ncn1 ZINC000124644367 388664912 /nfs/dbraw/zinc/66/49/12/388664912.db2.gz RSLMPNTWVBFVJW-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN CCOCCNC(=O)CN1CC[C@@H](CC)C1 ZINC000125174642 388669960 /nfs/dbraw/zinc/66/99/60/388669960.db2.gz LOSYHZGJOSSEHG-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CN(C)C(=O)C(C)(C)NCc1ccn(C)c1 ZINC000125273384 388670267 /nfs/dbraw/zinc/67/02/67/388670267.db2.gz IXZPWCVXSPPOHX-UHFFFAOYSA-N 0 3 223.320 0.982 20 0 BCADHN CCO[C@H]1C[C@@H](N(C)C(=O)[C@@H](C)N)C1(C)C ZINC000161555009 388671233 /nfs/dbraw/zinc/67/12/33/388671233.db2.gz SSDOATABEPDFPL-BBBLOLIVSA-N 0 3 228.336 0.996 20 0 BCADHN CSC[C@@H](O)CNCc1ccccc1CO ZINC000522002273 388674242 /nfs/dbraw/zinc/67/42/42/388674242.db2.gz QROLKMJVERJLSQ-LBPRGKRZSA-N 0 3 241.356 0.992 20 0 BCADHN CCNS(=O)(=O)[C@@H]1CCN([C@@H](C)CC)C1 ZINC000248374014 388677289 /nfs/dbraw/zinc/67/72/89/388677289.db2.gz NIADGSVPBUTIDP-VHSXEESVSA-N 0 3 234.365 0.799 20 0 BCADHN CCOC(=O)N[C@H]1CCCN(C[C@@H](C)O)C1 ZINC000192696824 388682734 /nfs/dbraw/zinc/68/27/34/388682734.db2.gz JLKVGZSCDCDLRX-ZJUUUORDSA-N 0 3 230.308 0.578 20 0 BCADHN CCC[C@@H](C)N1CCN(C(=O)CN(C)C)CC1 ZINC000192721047 388682954 /nfs/dbraw/zinc/68/29/54/388682954.db2.gz BCPUIJJSOUQZKE-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN C[C@H](O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000192744377 388683889 /nfs/dbraw/zinc/68/38/89/388683889.db2.gz QQFBWUWTEOTPJJ-VHSXEESVSA-N 0 3 244.335 0.966 20 0 BCADHN CC[C@H]1CN(C)CCN1CCCNC(C)=O ZINC000521615645 388619526 /nfs/dbraw/zinc/61/95/26/388619526.db2.gz CWSVUOGCXXNXKS-LBPRGKRZSA-N 0 3 227.352 0.539 20 0 BCADHN CN(C)C(=O)C(C)(C)NCc1cc[nH]c1 ZINC000086253350 388684035 /nfs/dbraw/zinc/68/40/35/388684035.db2.gz WLFKNQABJKYVQK-UHFFFAOYSA-N 0 3 209.293 0.971 20 0 BCADHN O[C@@H]1COC[C@H]1N1CCC(c2ncc[nH]2)CC1 ZINC000551092894 388620985 /nfs/dbraw/zinc/62/09/85/388620985.db2.gz MCKXLLGRCRYRPF-GHMZBOCLSA-N 0 3 237.303 0.349 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@H]1COCCN1 ZINC000530180734 388622964 /nfs/dbraw/zinc/62/29/64/388622964.db2.gz GINNGGNOJBXPMW-JTQLQIEISA-N 0 3 224.308 0.105 20 0 BCADHN O=C1CNC(=O)N1C[C@@H]1CCN1C1CCCC1 ZINC000530208809 388626456 /nfs/dbraw/zinc/62/64/56/388626456.db2.gz IECVPZCGEFWYCE-JTQLQIEISA-N 0 3 237.303 0.555 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N(C)[C@H](C)CC ZINC000246282051 388628188 /nfs/dbraw/zinc/62/81/88/388628188.db2.gz AZEOMTGFMPXBKW-RKDXNWHRSA-N 0 3 229.324 0.951 20 0 BCADHN C[C@H](NC[C@H]1COCCN1)c1cccnc1 ZINC000530218090 388631280 /nfs/dbraw/zinc/63/12/80/388631280.db2.gz BQDLJVXWYVMATA-JQWIXIFHSA-N 0 3 221.304 0.721 20 0 BCADHN C[C@@H]1CN(CCNCc2cncn2C)CCO1 ZINC000521828095 388631283 /nfs/dbraw/zinc/63/12/83/388631283.db2.gz AGJPMRVWHQKIBF-LLVKDONJSA-N 0 3 238.335 0.230 20 0 BCADHN C[C@H](NC[C@H]1COCCN1)c1ccccn1 ZINC000530218601 388631515 /nfs/dbraw/zinc/63/15/15/388631515.db2.gz DFPMIKCHKFOIIK-QWRGUYRKSA-N 0 3 221.304 0.721 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1)c1ccncc1 ZINC000530220893 388632965 /nfs/dbraw/zinc/63/29/65/388632965.db2.gz KAJYERGUMKMTHC-PWSUYJOCSA-N 0 3 221.304 0.721 20 0 BCADHN C[C@H](NC[C@H]1COCCN1)c1ccncc1F ZINC000530222011 388633088 /nfs/dbraw/zinc/63/30/88/388633088.db2.gz FOMSUBVVWQBSSE-UWVGGRQHSA-N 0 3 239.294 0.860 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1)c1ccnn1C ZINC000530225790 388636044 /nfs/dbraw/zinc/63/60/44/388636044.db2.gz NJJSMAGKGNVFRB-VHSXEESVSA-N 0 3 224.308 0.059 20 0 BCADHN C[C@H]1CN(C(=O)c2ccc(N)cn2)[C@@H](C)CN1 ZINC000521870994 388637552 /nfs/dbraw/zinc/63/75/52/388637552.db2.gz RXYJWRSIZODRLH-IUCAKERBSA-N 0 3 234.303 0.486 20 0 BCADHN C[C@H](O)CNC[C@@H]1c2ccccc2C(=O)N1C ZINC000530241923 388637953 /nfs/dbraw/zinc/63/79/53/388637953.db2.gz FERRYDXWKCJNBG-JOYOIKCWSA-N 0 3 234.299 0.784 20 0 BCADHN CC[C@@H](N[C@H](COC)C(C)C)C(N)=O ZINC000083399946 388639423 /nfs/dbraw/zinc/63/94/23/388639423.db2.gz VPZKEWZGPHJFBK-RKDXNWHRSA-N 0 3 202.298 0.511 20 0 BCADHN CCNC(=O)NC(=O)CN1CCC[C@H](C)[C@H]1C ZINC000246486940 388639586 /nfs/dbraw/zinc/63/95/86/388639586.db2.gz AINVGWLAEOOWIP-VHSXEESVSA-N 0 3 241.335 0.953 20 0 BCADHN CN(C)CCN(C(=O)c1cccnn1)C1CC1 ZINC000530264539 388640978 /nfs/dbraw/zinc/64/09/78/388640978.db2.gz AUQOBIPEPWSPRC-UHFFFAOYSA-N 0 3 234.303 0.643 20 0 BCADHN O=C1NCCC[C@@H]1N[C@H]1COc2ccccc2C1 ZINC000328409102 388642501 /nfs/dbraw/zinc/64/25/01/388642501.db2.gz XEVJVEZQLCRTKG-NEPJUHHUSA-N 0 3 246.310 0.858 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NCC1CC1 ZINC000139500448 388643469 /nfs/dbraw/zinc/64/34/69/388643469.db2.gz PVFSLVDBJKESKA-JTQLQIEISA-N 0 3 211.309 0.790 20 0 BCADHN CC[C@H](N)C(=O)N(C)CCc1ccccn1 ZINC000037507178 388644685 /nfs/dbraw/zinc/64/46/85/388644685.db2.gz WKROXNHYIXVXNO-NSHDSACASA-N 0 3 221.304 0.820 20 0 BCADHN C[C@@H]1OCC[C@@H]1NC[C@H]1CCCCS1(=O)=O ZINC000328612638 388645854 /nfs/dbraw/zinc/64/58/54/388645854.db2.gz PPQQLWKNMDUUEW-AXFHLTTASA-N 0 3 247.360 0.721 20 0 BCADHN CCOCCOCCN(C)CCCO ZINC000190247272 388648314 /nfs/dbraw/zinc/64/83/14/388648314.db2.gz YNMORHYVLSNXAF-UHFFFAOYSA-N 0 3 205.298 0.354 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccc2[nH]cnc2c1 ZINC000551939736 388648702 /nfs/dbraw/zinc/64/87/02/388648702.db2.gz HHYQLWWLPKUXBV-QMMMGPOBSA-N 0 3 232.287 0.916 20 0 BCADHN CC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H](C)N1 ZINC000620897990 388652582 /nfs/dbraw/zinc/65/25/82/388652582.db2.gz JGQDPLNYXASPEW-DTWKUNHWSA-N 0 3 237.307 0.028 20 0 BCADHN c1nnc2cncc(NCCN3CC=CCC3)n12 ZINC000530378153 388653195 /nfs/dbraw/zinc/65/31/95/388653195.db2.gz QGTHWINEQVGLBB-UHFFFAOYSA-N 0 3 244.302 0.798 20 0 BCADHN CNC(=O)C1CN(C[C@H](O)CC2CCCC2)C1 ZINC000191380045 388662806 /nfs/dbraw/zinc/66/28/06/388662806.db2.gz UCNDRYXIAJNUPG-GFCCVEGCSA-N 0 3 240.347 0.605 20 0 BCADHN CCCCO[C@H](C)C(=O)NCCN(C)C ZINC000194544126 388734449 /nfs/dbraw/zinc/73/44/49/388734449.db2.gz OILJBOFYIARWAE-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN COCCN(C[C@H](C)COC)[C@H](C)C(N)=O ZINC000249982286 388735767 /nfs/dbraw/zinc/73/57/67/388735767.db2.gz YVDYCVQGPIMZKC-VHSXEESVSA-N 0 3 232.324 0.091 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CC(n2ccnc2)C1 ZINC000522258544 388738607 /nfs/dbraw/zinc/73/86/07/388738607.db2.gz LQZKMEABRYEGRP-NSHDSACASA-N 0 3 234.303 0.361 20 0 BCADHN CS[C@@H](C)C(=O)NC[C@H]1CCCN1C ZINC000194700903 388739426 /nfs/dbraw/zinc/73/94/26/388739426.db2.gz KCIFQBRMAWQGEY-DTWKUNHWSA-N 0 3 216.350 0.948 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)C1CCOCC1 ZINC000194728246 388740747 /nfs/dbraw/zinc/74/07/47/388740747.db2.gz XJOXGEVDXBXAEM-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN CCC[C@@](C)(N)C(=O)Nc1ncnn1C ZINC000261527251 388743120 /nfs/dbraw/zinc/74/31/20/388743120.db2.gz FEXMJFVQSKMDTR-SECBINFHSA-N 0 3 211.269 0.271 20 0 BCADHN CNC(=O)NC1CCN(CCOC)CC1 ZINC000194976858 388747577 /nfs/dbraw/zinc/74/75/77/388747577.db2.gz OXXQGTWAWFUVFJ-UHFFFAOYSA-N 0 3 215.297 0.026 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000227327318 388747583 /nfs/dbraw/zinc/74/75/83/388747583.db2.gz HZNFRFISFOSYJB-IVZWLZJFSA-N 0 3 214.309 0.534 20 0 BCADHN CO[C@H](CN)C(=O)N1CCCCCC1 ZINC000227341904 388747764 /nfs/dbraw/zinc/74/77/64/388747764.db2.gz JORAZDRQHGECBA-SECBINFHSA-N 0 3 200.282 0.363 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC(C)CC1 ZINC000227341404 388748131 /nfs/dbraw/zinc/74/81/31/388748131.db2.gz DCZXZPSLWYHYJF-SECBINFHSA-N 0 3 200.282 0.219 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cccc(C)c1 ZINC000227345547 388749166 /nfs/dbraw/zinc/74/91/66/388749166.db2.gz ALYPLFARHBGGPI-SNVBAGLBSA-N 0 3 208.261 0.907 20 0 BCADHN CC[C@H]1CCCN1C(=O)[C@H](CN)OC ZINC000227369576 388749202 /nfs/dbraw/zinc/74/92/02/388749202.db2.gz LSGHLJMEZKIWJU-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN CO[C@H](CN)C(=O)NCCc1ccsc1 ZINC000227377847 388749336 /nfs/dbraw/zinc/74/93/36/388749336.db2.gz BFTGRIMUTXNCSL-SECBINFHSA-N 0 3 228.317 0.381 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000227344702 388749453 /nfs/dbraw/zinc/74/94/53/388749453.db2.gz NGJOWWDYZRQNND-IVZWLZJFSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@@H](CN)C(=O)NCCc1ccsc1 ZINC000227377841 388749764 /nfs/dbraw/zinc/74/97/64/388749764.db2.gz BFTGRIMUTXNCSL-VIFPVBQESA-N 0 3 228.317 0.381 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@]1(C)CCCS1 ZINC000227392423 388750133 /nfs/dbraw/zinc/75/01/33/388750133.db2.gz WMTOOJHEGAUOLR-SCZZXKLOSA-N 0 3 232.349 0.362 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc(Cl)nc1 ZINC000227397042 388750234 /nfs/dbraw/zinc/75/02/34/388750234.db2.gz KHBSEEFXHZKDRH-SSDOTTSWSA-N 0 3 229.667 0.647 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC(C)(C)C1 ZINC000227391613 388750291 /nfs/dbraw/zinc/75/02/91/388750291.db2.gz NLQOOXTWOZVURJ-MRVPVSSYSA-N 0 3 200.282 0.219 20 0 BCADHN Cn1nccc1CCN1CCC[C@H](O)C1 ZINC000227373719 388750352 /nfs/dbraw/zinc/75/03/52/388750352.db2.gz CISKFEJAZJHBIW-NSHDSACASA-N 0 3 209.293 0.419 20 0 BCADHN CO[C@H](CN)C(=O)N(C)CC1CCC1 ZINC000227381983 388750415 /nfs/dbraw/zinc/75/04/15/388750415.db2.gz PTTHAIANDDYRMA-SECBINFHSA-N 0 3 200.282 0.219 20 0 BCADHN COC1(C(=O)NC[C@@H](C)N(C)C)CC1 ZINC000648730455 388751049 /nfs/dbraw/zinc/75/10/49/388751049.db2.gz BNLPBSMFADQAKX-MRVPVSSYSA-N 0 3 200.282 0.232 20 0 BCADHN CO[C@H](CN)C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000227408415 388751344 /nfs/dbraw/zinc/75/13/44/388751344.db2.gz XOGUEVLZBSKICA-DJLDLDEBSA-N 0 3 232.349 0.313 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H](CN)OC)CCS1 ZINC000227408450 388751637 /nfs/dbraw/zinc/75/16/37/388751637.db2.gz LLGMVBSURHPSBA-DTWKUNHWSA-N 0 3 232.349 0.314 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@@H]1CC1(C)C ZINC000227417689 388751664 /nfs/dbraw/zinc/75/16/64/388751664.db2.gz RGUHBTBNLFOBJJ-JGVFFNPUSA-N 0 3 200.282 0.122 20 0 BCADHN CCC1(CNC(=O)[C@H](CN)OC)CC1 ZINC000227417493 388751672 /nfs/dbraw/zinc/75/16/72/388751672.db2.gz JMAQJDTUPHQQRQ-QMMMGPOBSA-N 0 3 200.282 0.267 20 0 BCADHN CCC[C@@H]1C[C@H]1NC(=O)[C@@H](CN)OC ZINC000227417765 388751679 /nfs/dbraw/zinc/75/16/79/388751679.db2.gz WPWNENKJDXQBSK-IWSPIJDZSA-N 0 3 200.282 0.265 20 0 BCADHN CO[C@H](CN)C(=O)N1CCSC(C)(C)C1 ZINC000227408507 388751745 /nfs/dbraw/zinc/75/17/45/388751745.db2.gz XZWRJFLSPRNTFI-MRVPVSSYSA-N 0 3 232.349 0.314 20 0 BCADHN C[C@@H](CO)CCCNC(=O)NCCN(C)C ZINC000342672264 135309048 /nfs/dbraw/zinc/30/90/48/135309048.db2.gz ZWGBCMCJMDRAKY-SNVBAGLBSA-N 0 3 231.340 0.256 20 0 BCADHN COC[C@@H](C)NCC(=O)NCC(C)C ZINC000020041815 388753022 /nfs/dbraw/zinc/75/30/22/388753022.db2.gz PJARISBPJIRINJ-SECBINFHSA-N 0 3 202.298 0.383 20 0 BCADHN CNC(=O)[C@@H]1CCCN([C@H](C)c2cnccn2)C1 ZINC000248616324 388687348 /nfs/dbraw/zinc/68/73/48/388687348.db2.gz KJXMZSFEVHQCLG-GHMZBOCLSA-N 0 3 248.330 0.996 20 0 BCADHN CC(C(=O)NC1(C)CCC1)S(C)(=O)=O ZINC000126034789 388687476 /nfs/dbraw/zinc/68/74/76/388687476.db2.gz VPWXUGZKHXQTHZ-ZETCQYMHSA-N 0 3 219.306 0.478 20 0 BCADHN C[C@@H](C[S@](C)=O)N(C)CCCCCO ZINC000126111306 388688505 /nfs/dbraw/zinc/68/85/05/388688505.db2.gz SQGIFNOAEJSMFD-IINYFYTJSA-N 0 3 221.366 0.848 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N[C@H](COC)C(C)C ZINC000086700244 388690966 /nfs/dbraw/zinc/69/09/66/388690966.db2.gz ZBXCKJSJKOSFBB-DTWKUNHWSA-N 0 3 245.323 0.091 20 0 BCADHN CN(C[C@H](O)COC[C@@H]1CCCO1)C1CC1 ZINC000193055611 388691572 /nfs/dbraw/zinc/69/15/72/388691572.db2.gz TVQJQSIQMIQPSR-RYUDHWBXSA-N 0 3 229.320 0.637 20 0 BCADHN CCOC[C@@H](C)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000552313033 388691966 /nfs/dbraw/zinc/69/19/66/388691966.db2.gz HZZVNXQZHTWYCR-UTLUCORTSA-N 0 3 235.349 0.577 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)N1CC[C@@H](CO)C1 ZINC000225978918 388695558 /nfs/dbraw/zinc/69/55/58/388695558.db2.gz ANIJKLRNUJRZOJ-OUAUKWLOSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)N(C)C[C@H]1CCOC1)N(C)C ZINC000126462840 388695804 /nfs/dbraw/zinc/69/58/04/388695804.db2.gz OKZCYWATQUFUAH-GHMZBOCLSA-N 0 3 228.336 0.822 20 0 BCADHN COCCCCC(=O)NCCN(C)C ZINC000195110476 388696075 /nfs/dbraw/zinc/69/60/75/388696075.db2.gz VMYCWYMAJAWQIE-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN CCOCCCNC(=O)NC[C@H]1CCCN1C ZINC000195121168 388696903 /nfs/dbraw/zinc/69/69/03/388696903.db2.gz SVFXGLDSASTGME-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN CC(=O)NCCCN(C)[C@H](C)C[S@](C)=O ZINC000126687786 388699670 /nfs/dbraw/zinc/69/96/70/388699670.db2.gz AYUBVQHCPRJXSU-RFAUZJTJSA-N 0 3 234.365 0.211 20 0 BCADHN NC(=O)[C@@H]1CCCCN1CC[C@H]1CCCO1 ZINC000248932598 388699673 /nfs/dbraw/zinc/69/96/73/388699673.db2.gz BMDFBVQZGIYBSJ-MNOVXSKESA-N 0 3 226.320 0.895 20 0 BCADHN C[C@@H](O)CN(CCOC(C)(C)C)[C@H](C)CO ZINC000248923058 388700319 /nfs/dbraw/zinc/70/03/19/388700319.db2.gz LELIQUAJKSRCQG-GHMZBOCLSA-N 0 3 233.352 0.865 20 0 BCADHN C[C@@H](OC[C@H]1CCCO1)C(=O)NCCN(C)C ZINC000195207755 388700622 /nfs/dbraw/zinc/70/06/22/388700622.db2.gz HRDUZMLOTCBFSH-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CC[C@H]1CCCO1 ZINC000248961372 388701293 /nfs/dbraw/zinc/70/12/93/388701293.db2.gz GLICUGPTMQLFFM-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H](CO)N(Cc1cccnc1)C[C@H](C)O ZINC000248978217 388702184 /nfs/dbraw/zinc/70/21/84/388702184.db2.gz UUMQWFXJEYAMLC-MNOVXSKESA-N 0 3 224.304 0.645 20 0 BCADHN C[C@H](CO)N(CCOCC1CC1)C[C@H](C)O ZINC000249003481 388703326 /nfs/dbraw/zinc/70/33/26/388703326.db2.gz ZENQTFPCODBTLU-MNOVXSKESA-N 0 3 231.336 0.477 20 0 BCADHN CN1CC[C@H](C(=O)Nc2nnc3ccccn32)C1 ZINC000522147415 388705091 /nfs/dbraw/zinc/70/50/91/388705091.db2.gz HYLJMNDFKSOUJW-VIFPVBQESA-N 0 3 245.286 0.620 20 0 BCADHN CCOC[C@H]1CCN([C@@H]2CCCN(C)C2=O)C1 ZINC000538709371 388708537 /nfs/dbraw/zinc/70/85/37/388708537.db2.gz XBONOPSNKQTIIW-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CSC[C@H](O)CN(C)C[C@H]1CCCO1 ZINC000249200719 388709824 /nfs/dbraw/zinc/70/98/24/388709824.db2.gz DAWLCZLEPVRNTP-NXEZZACHSA-N 0 3 219.350 0.821 20 0 BCADHN CCC[C@H](C)N1CCO[C@@H](C(N)=O)C1 ZINC000249261291 388713712 /nfs/dbraw/zinc/71/37/12/388713712.db2.gz HRCUDUOXPZPNTN-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN OC[C@@H]1CCN(C[C@@H](O)CC(F)(F)F)C1 ZINC000249300435 388716409 /nfs/dbraw/zinc/71/64/09/388716409.db2.gz NKZZOFGOMAHOQL-SFYZADRCSA-N 0 3 227.226 0.614 20 0 BCADHN C[C@H](NC(=O)C1(N)CC1)C1CCOCC1 ZINC000226371493 388717386 /nfs/dbraw/zinc/71/73/86/388717386.db2.gz UASOSQGKIUKMDX-QMMMGPOBSA-N 0 3 212.293 0.409 20 0 BCADHN CCS[C@H]1CCC[C@H]1NC(=O)CNC ZINC000226382416 388717418 /nfs/dbraw/zinc/71/74/18/388717418.db2.gz FNIVSJJXVNGIGT-BDAKNGLRSA-N 0 3 216.350 0.996 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000226602409 388724213 /nfs/dbraw/zinc/72/42/13/388724213.db2.gz ACELSKFUJKVTGC-HRDYMLBCSA-N 0 3 235.349 0.169 20 0 BCADHN CCCN1CCN(C[C@H](C)O)C[C@H]1C ZINC000249500433 388724857 /nfs/dbraw/zinc/72/48/57/388724857.db2.gz IIZJLAJXASJDBC-MNOVXSKESA-N 0 3 200.326 0.783 20 0 BCADHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc[nH]n1 ZINC000066946752 388725748 /nfs/dbraw/zinc/72/57/48/388725748.db2.gz SRTMAUOMMCILCP-JTQLQIEISA-N 0 3 236.319 0.966 20 0 BCADHN CCOCCN1CCN(C[C@H](C)O)C[C@H]1C ZINC000249516691 388725799 /nfs/dbraw/zinc/72/57/99/388725799.db2.gz RMMQKQCELQDGFG-NEPJUHHUSA-N 0 3 230.352 0.410 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCCCO)C1 ZINC000553239578 388756930 /nfs/dbraw/zinc/75/69/30/388756930.db2.gz RJJPLSUSZONZSN-SNVBAGLBSA-N 0 3 214.309 0.217 20 0 BCADHN CC[C@H](O)CN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249569007 388728345 /nfs/dbraw/zinc/72/83/45/388728345.db2.gz NSEVDYMAXPEFOS-KXUCPTDWSA-N 0 3 214.309 0.343 20 0 BCADHN CC(=O)NCC(=O)Nc1cccc(CN(C)C)c1 ZINC000127652443 388728470 /nfs/dbraw/zinc/72/84/70/388728470.db2.gz PWDCYRDEHVGOFM-UHFFFAOYSA-N 0 3 249.314 0.823 20 0 BCADHN CCN(C)CCNC(=O)C1CCC(O)CC1 ZINC000194307143 388728665 /nfs/dbraw/zinc/72/86/65/388728665.db2.gz BAGSCNKJBQECDA-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN CC(=O)NCCCN1CC[C@@H](O)[C@H](C)C1 ZINC000249562760 388728690 /nfs/dbraw/zinc/72/86/90/388728690.db2.gz MCAYVGZHFBQEAR-MWLCHTKSSA-N 0 3 214.309 0.215 20 0 BCADHN CCNC(=O)CN(C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249583347 388730126 /nfs/dbraw/zinc/73/01/26/388730126.db2.gz SACQSHNXTWFVEL-PWSUYJOCSA-N 0 3 228.336 0.605 20 0 BCADHN Cc1noc(C(=O)NCCN2CC[C@@H](C)C2)n1 ZINC000649084361 388792030 /nfs/dbraw/zinc/79/20/30/388792030.db2.gz PIQLHRXAZDEFDV-MRVPVSSYSA-N 0 3 238.291 0.450 20 0 BCADHN COC1(C(=O)NCCN(C)C2CC2)CC1 ZINC000648749628 388799360 /nfs/dbraw/zinc/79/93/60/388799360.db2.gz MCJPKFSKKYQJNQ-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN Cc1noc([C@H](C)N(C)C(=O)CNC2CC2)n1 ZINC000572541539 388801330 /nfs/dbraw/zinc/80/13/30/388801330.db2.gz CDYHZTJNRRNIGZ-ZETCQYMHSA-N 0 3 238.291 0.649 20 0 BCADHN C[C@@H](CO)NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000540277923 388801775 /nfs/dbraw/zinc/80/17/75/388801775.db2.gz UFOFHKXLOSRPFQ-WCABBAIRSA-N 0 3 241.335 0.149 20 0 BCADHN C[C@@H]1OCC[C@@]1(O)CNCc1ccco1 ZINC000227979356 388764765 /nfs/dbraw/zinc/76/47/65/388764765.db2.gz JWMLWEPFTIWMIU-GXSJLCMTSA-N 0 3 211.261 0.909 20 0 BCADHN CC[C@H](C(=O)NCc1cccc(=O)[nH]1)N(C)C ZINC000539698478 388772554 /nfs/dbraw/zinc/77/25/54/388772554.db2.gz FJDAJUXNPVAHSW-SNVBAGLBSA-N 0 3 237.303 0.744 20 0 BCADHN CN([C@@H]1CCCC[C@H]1O)[C@@H]1CCCCNC1=O ZINC000252726157 388776446 /nfs/dbraw/zinc/77/64/46/388776446.db2.gz OIDCQLDXHPUVLF-IJLUTSLNSA-N 0 3 240.347 0.890 20 0 BCADHN COC[C@@H]1CCCN([C@@H]2CCCN(C)C2=O)C1 ZINC000539811904 388780081 /nfs/dbraw/zinc/78/00/81/388780081.db2.gz YELZWIUVNZDBKY-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1cnc(CNC(=O)CNC2CC2)s1 ZINC000229094420 388780251 /nfs/dbraw/zinc/78/02/51/388780251.db2.gz PHJDWKXSFCJOOW-UHFFFAOYSA-N 0 3 225.317 0.820 20 0 BCADHN CCc1nnc(C)cc1C(=O)N1CCCNCC1 ZINC000229145985 388782324 /nfs/dbraw/zinc/78/23/24/388782324.db2.gz OVYIMBGLXYIONO-UHFFFAOYSA-N 0 3 248.330 0.783 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(C)C1 ZINC000539943760 388789285 /nfs/dbraw/zinc/78/92/85/388789285.db2.gz YLDJVLMPPUHJPU-QJPTWQEYSA-N 0 3 240.347 0.869 20 0 BCADHN CCN(CCCO)[C@H]1CCCN(C)C1=O ZINC000554433932 388815728 /nfs/dbraw/zinc/81/57/28/388815728.db2.gz UCRIDIPFQSRIMX-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN CO[C@@H]1CN(C(=O)C2(N)CC2)CC[C@@H]1C ZINC000230244667 388822676 /nfs/dbraw/zinc/82/26/76/388822676.db2.gz SFGCBBHQMOKADY-DTWKUNHWSA-N 0 3 212.293 0.361 20 0 BCADHN CO[C@@H]1CN(C(=O)C2(N)CC2)CC[C@H]1C ZINC000230244672 388822923 /nfs/dbraw/zinc/82/29/23/388822923.db2.gz SFGCBBHQMOKADY-RKDXNWHRSA-N 0 3 212.293 0.361 20 0 BCADHN CCN(CCOC)C(=O)CN1CC[C@@H](C)C1 ZINC000554602610 388824306 /nfs/dbraw/zinc/82/43/06/388824306.db2.gz YICAMLSCXFJQIN-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CCN(CC(C)(C)O)[C@@H]1CCCN(C)C1=O ZINC000540906160 388824375 /nfs/dbraw/zinc/82/43/75/388824375.db2.gz JQXHTAIPJLKRME-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN COC(=O)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC000554597670 388824399 /nfs/dbraw/zinc/82/43/99/388824399.db2.gz RTERLFMJTZVDEM-SNVBAGLBSA-N 0 3 242.319 0.398 20 0 BCADHN C[C@H]1CN([C@H]2CCCN(C)C2=O)CCCO1 ZINC000540910903 388826566 /nfs/dbraw/zinc/82/65/66/388826566.db2.gz CLUQMCPFZBMZTC-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@H](O)[C@@H]1CCCN([C@H]2CCCN(C)C2=O)C1 ZINC000540911388 388826769 /nfs/dbraw/zinc/82/67/69/388826769.db2.gz UMIWHBAMRMZYOO-TUAOUCFPSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)C1CCOCC1 ZINC000225523669 388831231 /nfs/dbraw/zinc/83/12/31/388831231.db2.gz ZVJBLEGBHWUVLQ-HTQZYQBOSA-N 0 3 200.282 0.265 20 0 BCADHN Cn1nnnc1N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000564239616 388831431 /nfs/dbraw/zinc/83/14/31/388831431.db2.gz DIRJGRLFJZQQQV-UWVGGRQHSA-N 0 3 236.323 0.131 20 0 BCADHN COC(=O)CCN1CC[C@H](c2nccn2C)C1 ZINC000540964640 388831624 /nfs/dbraw/zinc/83/16/24/388831624.db2.gz QVVBJTJCMGLDSZ-JTQLQIEISA-N 0 3 237.303 0.773 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCCN(C)CC1 ZINC000334426959 135398234 /nfs/dbraw/zinc/39/82/34/135398234.db2.gz ZLYRXJNJSFKYNE-SNVBAGLBSA-N 0 3 213.325 0.101 20 0 BCADHN COCCOCCN(C)CC[C@H](C)O ZINC000129663212 388863426 /nfs/dbraw/zinc/86/34/26/388863426.db2.gz GICGPFKTOWESIG-JTQLQIEISA-N 0 3 205.298 0.352 20 0 BCADHN CC(C)(C)[C@@H](O)CNCC(=O)N1CCCC1 ZINC000304226882 388863952 /nfs/dbraw/zinc/86/39/52/388863952.db2.gz JIWRQLKQWOKPIF-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN OC1(CN2CCN3CCOC[C@@H]3C2)CCCC1 ZINC000541700624 388864984 /nfs/dbraw/zinc/86/49/84/388864984.db2.gz VDVADJGBMMQWKP-LBPRGKRZSA-N 0 3 240.347 0.308 20 0 BCADHN C[NH2+]CCN(C)C(=O)c1cccc(C)c1[O-] ZINC000069801673 388867560 /nfs/dbraw/zinc/86/75/60/388867560.db2.gz JDUYDJXLESEHGI-UHFFFAOYSA-N 0 3 222.288 0.992 20 0 BCADHN CN(CCC(=O)N1CC(O)C1)c1ccncc1 ZINC000541855263 388870833 /nfs/dbraw/zinc/87/08/33/388870833.db2.gz NJWSAZOVSIDQKY-UHFFFAOYSA-N 0 3 235.287 0.111 20 0 BCADHN COC[C@@H](O)CN1C[C@@H](C)S[C@H](C)C1 ZINC000069908993 388870909 /nfs/dbraw/zinc/87/09/09/388870909.db2.gz LXJONJUVIRGRRW-BBBLOLIVSA-N 0 3 219.350 0.820 20 0 BCADHN C[C@@H]1[C@H](C(=O)Nc2c[nH]ccc2=O)CCN1C ZINC000648764307 388846896 /nfs/dbraw/zinc/84/68/96/388846896.db2.gz HRDUZARRAVNXSZ-RKDXNWHRSA-N 0 3 235.287 0.654 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H]1CCSC1 ZINC000564963765 388903094 /nfs/dbraw/zinc/90/30/94/388903094.db2.gz LJVIRFDYVGAGSS-DJLDLDEBSA-N 0 3 203.307 0.495 20 0 BCADHN C[C@@H]1C[C@@H](NCc2cnc3cnccn23)CO1 ZINC000564960659 388903134 /nfs/dbraw/zinc/90/31/34/388903134.db2.gz FRIOYBXZGUBUBS-NXEZZACHSA-N 0 3 232.287 0.996 20 0 BCADHN O=C(COC1CNC1)N[C@H]1CCC[C@@H](F)C1 ZINC000564803322 388890274 /nfs/dbraw/zinc/89/02/74/388890274.db2.gz KMLIJCRFRSKQIB-BDAKNGLRSA-N 0 3 230.283 0.372 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)[C@@H](C)c1cccnc1 ZINC000564837538 388892977 /nfs/dbraw/zinc/89/29/77/388892977.db2.gz HHCMKKKRFYDFOP-ONGXEEELSA-N 0 3 237.303 0.575 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000152919167 388895844 /nfs/dbraw/zinc/89/58/44/388895844.db2.gz BFOAILUQLQYSSR-DBIOUOCHSA-N 0 3 238.331 0.798 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC(n2ccnc2)CC1 ZINC000564913239 388897817 /nfs/dbraw/zinc/89/78/17/388897817.db2.gz KPWAXEWIQCFRDH-LLVKDONJSA-N 0 3 236.319 0.784 20 0 BCADHN Cc1cc(=O)[nH]cc1C(=O)NC[C@H]1CCCN1C ZINC000129884172 388875249 /nfs/dbraw/zinc/87/52/49/388875249.db2.gz DDTGBSIDGMAYMI-SNVBAGLBSA-N 0 3 249.314 0.507 20 0 BCADHN Cc1noc([C@H](C)NC(=O)[C@H](C)NC2CC2)n1 ZINC000564564049 388879308 /nfs/dbraw/zinc/87/93/08/388879308.db2.gz JVKBEEAQURGSKW-BQBZGAKWSA-N 0 3 238.291 0.696 20 0 BCADHN Cc1noc(CN2CCNC[C@](C)(F)C2)n1 ZINC000564988522 388905467 /nfs/dbraw/zinc/90/54/67/388905467.db2.gz SVIFNMCVLFJMBI-JTQLQIEISA-N 0 3 228.271 0.511 20 0 BCADHN CC[C@@H](N)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000564993762 388906455 /nfs/dbraw/zinc/90/64/55/388906455.db2.gz SGUXHJQZDZYXHJ-MNOVXSKESA-N 0 3 227.352 0.522 20 0 BCADHN CC[C@@H](N)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000564993761 388906488 /nfs/dbraw/zinc/90/64/88/388906488.db2.gz SGUXHJQZDZYXHJ-GHMZBOCLSA-N 0 3 227.352 0.522 20 0 BCADHN NCC(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000564993675 388906630 /nfs/dbraw/zinc/90/66/30/388906630.db2.gz MYWXKTCPILZAAT-NXEZZACHSA-N 0 3 214.309 0.393 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)[C@H](N)CC ZINC000564993705 388906916 /nfs/dbraw/zinc/90/69/16/388906916.db2.gz OMPKWIBFHYIMOF-DJLDLDEBSA-N 0 3 230.308 0.428 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@H]2CCC(=O)C2)C1 ZINC000565011520 388908985 /nfs/dbraw/zinc/90/89/85/388908985.db2.gz FIDLCCMWYMQBLQ-QWRGUYRKSA-N 0 3 238.331 0.814 20 0 BCADHN C[NH+](C)[C@H](CNc1ccncc1C(=O)[O-])C1CC1 ZINC000565038003 388910187 /nfs/dbraw/zinc/91/01/87/388910187.db2.gz HNBVQQKIGOUXEL-GFCCVEGCSA-N 0 3 249.314 0.954 20 0 BCADHN O=C1NCC[C@@]12CCCN2C[C@H]1C[C@@H](O)C1 ZINC000565173565 388922162 /nfs/dbraw/zinc/92/21/62/388922162.db2.gz QLVVBSXKKZDFGA-UMNHJUIQSA-N 0 3 224.304 0.112 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@H](C)N2CC(C)C2)C1 ZINC000565206362 388925547 /nfs/dbraw/zinc/92/55/47/388925547.db2.gz BPXSBYDRGJZNCK-NWDGAFQWSA-N 0 3 239.363 0.537 20 0 BCADHN Cc1ncc(CNCCc2cnn(C)c2)n1C ZINC000565243006 388932013 /nfs/dbraw/zinc/93/20/13/388932013.db2.gz UVLZKVSLHSJMRP-UHFFFAOYSA-N 0 3 233.319 0.794 20 0 BCADHN Cc1noc(CN2CCNC[C@@](C)(F)C2)n1 ZINC000564988524 388905185 /nfs/dbraw/zinc/90/51/85/388905185.db2.gz SVIFNMCVLFJMBI-SNVBAGLBSA-N 0 3 228.271 0.511 20 0 BCADHN C[C@H](O)CCCN1CCC[C@]12CCNC2=O ZINC000565313244 388937856 /nfs/dbraw/zinc/93/78/56/388937856.db2.gz OXPHHCOQGOMTGL-CMPLNLGQSA-N 0 3 226.320 0.502 20 0 BCADHN CC[C@@H](NCc1cnc(C)n1C)[C@@H](C)O ZINC000565314864 388937908 /nfs/dbraw/zinc/93/79/08/388937908.db2.gz NMRYRBCEHXIWMY-LDYMZIIASA-N 0 3 211.309 0.978 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)CCC1CCC1 ZINC000153093694 388938760 /nfs/dbraw/zinc/93/87/60/388938760.db2.gz ZNEVEAAEJRBZKM-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN CN1CC[C@H](C(=O)Nc2nncn2C2CC2)C1 ZINC000565378249 388941684 /nfs/dbraw/zinc/94/16/84/388941684.db2.gz BNFUOVHXYDCQOQ-QMMMGPOBSA-N 0 3 235.291 0.503 20 0 BCADHN CN1CC[C@@H](C(=O)Nc2nncn2C2CC2)C1 ZINC000565378248 388942357 /nfs/dbraw/zinc/94/23/57/388942357.db2.gz BNFUOVHXYDCQOQ-MRVPVSSYSA-N 0 3 235.291 0.503 20 0 BCADHN Cn1nccc1[C@H](CO)NCC1CCC1 ZINC000565419143 388942921 /nfs/dbraw/zinc/94/29/21/388942921.db2.gz JMEDDYVBCYQKRP-JTQLQIEISA-N 0 3 209.293 0.843 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000565547931 388952510 /nfs/dbraw/zinc/95/25/10/388952510.db2.gz GKHRSCBXQSDMPT-PWJLMRLQSA-N 0 3 240.328 0.970 20 0 BCADHN COCCN(CC(F)F)C(=O)C1(N)CC1 ZINC000565886096 388977095 /nfs/dbraw/zinc/97/70/95/388977095.db2.gz GWOWNPJXNZVCOM-UHFFFAOYSA-N 0 3 222.235 0.218 20 0 BCADHN C[C@@H]1CCN([C@H]2CC(=O)NC2=O)C[C@H]1C ZINC000565899853 388978310 /nfs/dbraw/zinc/97/83/10/388978310.db2.gz FIMAYEQUXMOIQQ-HLTSFMKQSA-N 0 3 210.277 0.379 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000566095163 388987138 /nfs/dbraw/zinc/98/71/38/388987138.db2.gz ZQCUOVGUTBGPJW-SDDRHHMPSA-N 0 3 238.331 0.609 20 0 BCADHN COC[C@@H](NCCC(N)=O)c1ccc(F)cc1 ZINC000566111733 388987839 /nfs/dbraw/zinc/98/78/39/388987839.db2.gz FTXSDKKVBHAYCT-LLVKDONJSA-N 0 3 240.278 0.978 20 0 BCADHN CC[C@H](O)CNCC(=O)N1CCc2ccccc21 ZINC000566109962 388988052 /nfs/dbraw/zinc/98/80/52/388988052.db2.gz UXSACADIFMSQIG-LBPRGKRZSA-N 0 3 248.326 0.936 20 0 BCADHN COC[C@H](O)CNCc1nc2ccc(C)cc2[nH]1 ZINC000566111185 388988630 /nfs/dbraw/zinc/98/86/30/388988630.db2.gz ZRKSQEFUSFCUGV-SNVBAGLBSA-N 0 3 249.314 0.968 20 0 BCADHN Cc1c([C@@H](C)N[C@H](C)CC(N)=O)cnn1C ZINC000267198723 388999195 /nfs/dbraw/zinc/99/91/95/388999195.db2.gz FOBFFSSUIDAKLL-HTQZYQBOSA-N 0 3 224.308 0.643 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@@H](O)c1ccsc1 ZINC000267214590 388999377 /nfs/dbraw/zinc/99/93/77/388999377.db2.gz HZFIAMUKGKDKTI-IONNQARKSA-N 0 3 228.317 0.635 20 0 BCADHN COc1cc(CN[C@H](C)CC(N)=O)ccn1 ZINC000267210678 388999705 /nfs/dbraw/zinc/99/97/05/388999705.db2.gz HHGKNGPHQYKIPW-MRVPVSSYSA-N 0 3 223.276 0.444 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@H]1CCCCN1 ZINC000269276532 389008696 /nfs/dbraw/zinc/00/86/96/389008696.db2.gz XQZLFCZYXUQXAK-SECBINFHSA-N 0 3 222.292 0.476 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000271490333 389021100 /nfs/dbraw/zinc/02/11/00/389021100.db2.gz KIEQIBWLLIEOJW-VXNVDRBHSA-N 0 3 222.292 0.641 20 0 BCADHN CSC[C@@H](O)CN[C@H](C)c1cn[nH]c1 ZINC000275239839 389054908 /nfs/dbraw/zinc/05/49/08/389054908.db2.gz WYDCJUBOODJMNT-APPZFPTMSA-N 0 3 215.322 0.784 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@@]1(C)CCCCN1 ZINC000272993704 389037360 /nfs/dbraw/zinc/03/73/60/389037360.db2.gz QQWJJWXWKVULBC-GFCCVEGCSA-N 0 3 236.319 0.867 20 0 BCADHN CCSCCNC[C@@H](O)c1cnn(C)c1 ZINC000273799716 389045324 /nfs/dbraw/zinc/04/53/24/389045324.db2.gz VLPQLNHCVKVGGO-SNVBAGLBSA-N 0 3 229.349 0.796 20 0 BCADHN CCC1(O)CCN(C[C@H](O)COC)CC1 ZINC000348110446 136037444 /nfs/dbraw/zinc/03/74/44/136037444.db2.gz MMEDASOMJBAZPX-JTQLQIEISA-N 0 3 217.309 0.231 20 0 BCADHN CCN(C)C(=O)CCN[C@H](C)c1cnn(C)c1 ZINC000273375537 169667415 /nfs/dbraw/zinc/66/74/15/169667415.db2.gz LXQAOQSEZBBGRS-SNVBAGLBSA-N 0 3 238.335 0.939 20 0 BCADHN CO[C@H]1C[C@@H](N(C)C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496261050 533290659 /nfs/dbraw/zinc/29/06/59/533290659.db2.gz FPMNYGMGWZMQHK-KXUCPTDWSA-N 0 3 228.292 0.546 20 0 BCADHN COc1nn(C)cc1NC(=O)/C=C\CN(C)C ZINC000493004038 533300447 /nfs/dbraw/zinc/30/04/47/533300447.db2.gz JDGADSWMZOPHPF-WAYWQWQTSA-N 0 3 238.291 0.485 20 0 BCADHN CO[C@@H](CN[C@](C)(C(N)=O)C(C)C)C1CC1 ZINC000400270855 533373054 /nfs/dbraw/zinc/37/30/54/533373054.db2.gz MMBFDKPDDZXULA-JQWIXIFHSA-N 0 3 228.336 0.901 20 0 BCADHN C([C@H]1CCOC1)N1CCN2CCOC[C@H]2C1 ZINC000348769172 533376310 /nfs/dbraw/zinc/37/63/10/533376310.db2.gz CXFSCVBDVCBSDK-VXGBXAGGSA-N 0 3 226.320 0.039 20 0 BCADHN C([C@H]1CCOC1)N1CCN2CCOC[C@@H]2C1 ZINC000348769152 533377205 /nfs/dbraw/zinc/37/72/05/533377205.db2.gz CXFSCVBDVCBSDK-NEPJUHHUSA-N 0 3 226.320 0.039 20 0 BCADHN CO[C@@H]1CCN(C[C@H]2CN(C)C(=O)O2)[C@H](C)C1 ZINC000496161090 533416404 /nfs/dbraw/zinc/41/64/04/533416404.db2.gz YRTXXELYIPGIDJ-GMTAPVOTSA-N 0 3 242.319 0.936 20 0 BCADHN COC(=O)CCN1C[C@H](O)C[C@H](C)C1 ZINC000401475804 533429895 /nfs/dbraw/zinc/42/98/95/533429895.db2.gz LKXSITQVXRCDIZ-DTWKUNHWSA-N 0 3 201.266 0.252 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CN(C)C(=O)O2)CC[C@H]1C ZINC000495661221 533478107 /nfs/dbraw/zinc/47/81/07/533478107.db2.gz HGZOQDHIBVTTJM-GMTAPVOTSA-N 0 3 242.319 0.794 20 0 BCADHN C[C@@H](O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000468964530 533575209 /nfs/dbraw/zinc/57/52/09/533575209.db2.gz NUTPNONZNVPRCE-GARJFASQSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@@H](O)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000469033665 533575355 /nfs/dbraw/zinc/57/53/55/533575355.db2.gz PCCWVPNJHXDBJF-HBNTYKKESA-N 0 3 228.336 0.746 20 0 BCADHN C[C@@H](O)C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000469018871 533576352 /nfs/dbraw/zinc/57/63/52/533576352.db2.gz QWHHRQFLFFSJPV-KGYLQXTDSA-N 0 3 248.326 0.581 20 0 BCADHN C[C@@H](O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000469258325 533577759 /nfs/dbraw/zinc/57/77/59/533577759.db2.gz SINNYWZWSJZZAD-HLTSFMKQSA-N 0 3 212.293 0.109 20 0 BCADHN C[C@@H](O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000469381337 533570663 /nfs/dbraw/zinc/57/06/63/533570663.db2.gz MDGCONLVXJUDBI-BBBLOLIVSA-N 0 3 214.309 0.308 20 0 BCADHN C[C@@H](O)CCN(C)CCc1cnccn1 ZINC000402893554 533610022 /nfs/dbraw/zinc/61/00/22/533610022.db2.gz GOOGGADAQWBOIR-SNVBAGLBSA-N 0 3 209.293 0.722 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)C(=O)OC ZINC000037031989 322826742 /nfs/dbraw/zinc/82/67/42/322826742.db2.gz FCQQYMLKPAVCGT-GJMOJQLCSA-N 0 3 216.281 0.038 20 0 BCADHN CC[C@@](C)(NCCOC[C@H]1CCCO1)C(N)=O ZINC000533533687 322828097 /nfs/dbraw/zinc/82/80/97/322828097.db2.gz JEOKHXUEQLLRNA-ZYHUDNBSSA-N 0 3 244.335 0.426 20 0 BCADHN CC[C@@H](C)[C@@H](NC(=O)[C@H](C)N)C(=O)OC ZINC000040457674 322832393 /nfs/dbraw/zinc/83/23/93/322832393.db2.gz UEWPOYCHGCGVJS-GJMOJQLCSA-N 0 3 216.281 0.038 20 0 BCADHN CN(C)[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000266386519 132186330 /nfs/dbraw/zinc/18/63/30/132186330.db2.gz NMJOZFBBGPTPMO-JTQLQIEISA-N 0 3 236.319 0.311 20 0 BCADHN C[C@H](N)C(=O)N1C[C@@H](C(N)=O)Cc2ccccc21 ZINC000269057345 132193965 /nfs/dbraw/zinc/19/39/65/132193965.db2.gz RNPBFCUHZHWPNM-WPRPVWTQSA-N 0 3 247.298 0.024 20 0 BCADHN CCN1CCN(c2ncnc3nc[nH]c32)[C@@H](C)C1 ZINC000286226918 132214466 /nfs/dbraw/zinc/21/44/66/132214466.db2.gz DJEYCAMUALXDFE-VIFPVBQESA-N 0 3 246.318 0.883 20 0 BCADHN CCN1CCN(c2ncnc3[nH]cnc32)[C@@H](C)C1 ZINC000286226918 132214467 /nfs/dbraw/zinc/21/44/67/132214467.db2.gz DJEYCAMUALXDFE-VIFPVBQESA-N 0 3 246.318 0.883 20 0 BCADHN COCCC(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000070195480 132230235 /nfs/dbraw/zinc/23/02/35/132230235.db2.gz SCYTUEKSDSXRIC-NSHDSACASA-N 0 3 234.299 0.940 20 0 BCADHN CCOCC(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000070195446 132230453 /nfs/dbraw/zinc/23/04/53/132230453.db2.gz JOEHLUYDHOAIAM-NSHDSACASA-N 0 3 234.299 0.940 20 0 BCADHN CC(C)N1CCN(c2ncnc3n[nH]cc32)CC1 ZINC000301064910 132250604 /nfs/dbraw/zinc/25/06/04/132250604.db2.gz HGXMRKAEMDNCSU-UHFFFAOYSA-N 0 3 246.318 0.883 20 0 BCADHN CO[C@@]1(CNCc2cnn(C)c2)CCOC1 ZINC000156861275 133474489 /nfs/dbraw/zinc/47/44/89/133474489.db2.gz JZIZWJVOVKEJFN-LLVKDONJSA-N 0 3 225.292 0.315 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000157428762 133486206 /nfs/dbraw/zinc/48/62/06/133486206.db2.gz YCVGMMSVFYEAHR-ATZCPNFKSA-N 0 3 238.335 0.971 20 0 BCADHN C[C@H](O)CCN(C)C(=O)C1(N)CCCCC1 ZINC000157701842 133490752 /nfs/dbraw/zinc/49/07/52/133490752.db2.gz VRVLOSJOOSBMAB-JTQLQIEISA-N 0 3 228.336 0.877 20 0 BCADHN CCN1C[C@H](C)N(Cc2nnn(C)n2)[C@@H](C)C1 ZINC000408466785 133500743 /nfs/dbraw/zinc/50/07/43/133500743.db2.gz MCNVNYSCSGBHLW-UWVGGRQHSA-N 0 3 238.339 0.125 20 0 BCADHN Cc1nc(C)c(CCNC(=O)[C@@H](C)N)s1 ZINC000083904953 133565274 /nfs/dbraw/zinc/56/52/74/133565274.db2.gz BKWWYYMFEMYBHV-ZCFIWIBFSA-N 0 3 227.333 0.766 20 0 BCADHN C[C@@H]1CN(C(=O)N[C@H]2CCOC2)[C@H](C)CN1 ZINC000251902595 133647717 /nfs/dbraw/zinc/64/77/17/133647717.db2.gz WNGIHFYDSJDFGO-BBBLOLIVSA-N 0 3 227.308 0.167 20 0 BCADHN C[C@@H](F)CCN1CCC(NC(N)=O)CC1 ZINC000351871850 133988239 /nfs/dbraw/zinc/98/82/39/133988239.db2.gz AFCAPECWESWABK-MRVPVSSYSA-N 0 3 217.288 0.867 20 0 BCADHN CCOC[C@H](O)CN1C[C@@H](C)N(C)C[C@H]1C ZINC000351925297 134007119 /nfs/dbraw/zinc/00/71/19/134007119.db2.gz CAGYDOUVZIBTQZ-IJLUTSLNSA-N 0 3 230.352 0.408 20 0 BCADHN Cn1nccc1CCN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000335927808 134009598 /nfs/dbraw/zinc/00/95/98/134009598.db2.gz VDFCGCXPXYKAJV-VXGBXAGGSA-N 0 3 248.330 0.173 20 0 BCADHN CNC(=O)C1CN(C[C@@H]2CCCOC2)C1 ZINC000335937798 134013338 /nfs/dbraw/zinc/01/33/38/134013338.db2.gz AOILXAXRRMZGBQ-VIFPVBQESA-N 0 3 212.293 0.091 20 0 BCADHN CC(C)OC(=O)CCN1C[C@@H](C)[C@H](O)C1 ZINC000351952291 134016622 /nfs/dbraw/zinc/01/66/22/134016622.db2.gz SPRJUMFXOTYJFL-NXEZZACHSA-N 0 3 215.293 0.641 20 0 BCADHN CN(CCN(C)C1CC1)CCN1CCOCC1 ZINC000351962498 134021256 /nfs/dbraw/zinc/02/12/56/134021256.db2.gz XUGITHZQVFVPCX-UHFFFAOYSA-N 0 3 241.379 0.345 20 0 BCADHN NS(=O)(=O)[C@H]1CCCN(CC2CC2)C1 ZINC000335949718 134021342 /nfs/dbraw/zinc/02/13/42/134021342.db2.gz KXLXTVZPJOBJBM-VIFPVBQESA-N 0 3 218.322 0.149 20 0 BCADHN CN(CCn1cncn1)CC1(O)CCC1 ZINC000351979202 134025485 /nfs/dbraw/zinc/02/54/85/134025485.db2.gz KFSUMBOOGYHGCV-UHFFFAOYSA-N 0 3 210.281 0.125 20 0 BCADHN COCC1(C(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000335962995 134027324 /nfs/dbraw/zinc/02/73/24/134027324.db2.gz IWDGCTJWTKLZAQ-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1ccc2[nH]c(CNC(=O)C3(N)CC3)nc2c1 ZINC000335969358 134029474 /nfs/dbraw/zinc/02/94/74/134029474.db2.gz OUNKZFNJBFDJMA-UHFFFAOYSA-N 0 3 244.298 0.979 20 0 BCADHN Cc1ccc2nc(CNC(=O)C3(N)CC3)[nH]c2c1 ZINC000335969358 134029475 /nfs/dbraw/zinc/02/94/75/134029475.db2.gz OUNKZFNJBFDJMA-UHFFFAOYSA-N 0 3 244.298 0.979 20 0 BCADHN O=C1NCC[C@@H]1N1CCC[C@@H](C2CC2)C1 ZINC000335993428 134041704 /nfs/dbraw/zinc/04/17/04/134041704.db2.gz DFTLNOUVRGSIMC-MNOVXSKESA-N 0 3 208.305 0.997 20 0 BCADHN CC[C@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000336003978 134048391 /nfs/dbraw/zinc/04/83/91/134048391.db2.gz HNDSIFPHNSCQFQ-BQBZGAKWSA-N 0 3 240.225 0.513 20 0 BCADHN O=C(C[C@@H]1CCOC1)N1CCN2CCC[C@H]2C1 ZINC000336009353 134050077 /nfs/dbraw/zinc/05/00/77/134050077.db2.gz KTSFAAAJFFJNAJ-RYUDHWBXSA-N 0 3 238.331 0.720 20 0 BCADHN CN(C)C(=O)CN1CCC[C@@H]2COCC[C@H]21 ZINC000336009127 134050249 /nfs/dbraw/zinc/05/02/49/134050249.db2.gz FIMUQRFWDRVDDL-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)C ZINC000336023292 134056645 /nfs/dbraw/zinc/05/66/45/134056645.db2.gz WHNQYKMOXMJNJD-WCBMZHEXSA-N 0 3 211.309 0.740 20 0 BCADHN C[C@@H]1CN(CC(=O)NC2CCOCC2)C[C@H]1C ZINC000336041168 134062205 /nfs/dbraw/zinc/06/22/05/134062205.db2.gz ZQFYOYVDXZZHMN-GHMZBOCLSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)CS(=O)(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000336042244 134062314 /nfs/dbraw/zinc/06/23/14/134062314.db2.gz PUTKTPOGOGSHEN-QWRGUYRKSA-N 0 3 248.392 0.854 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H](O)C(C)(C)C1)N(C)C ZINC000336046027 134063618 /nfs/dbraw/zinc/06/36/18/134063618.db2.gz MMAJQTCZHGTCNI-VHSXEESVSA-N 0 3 228.336 0.556 20 0 BCADHN COC(=O)[C@]1(C)CCN([C@H]2CCCNC2=O)C1 ZINC000336086712 134076371 /nfs/dbraw/zinc/07/63/71/134076371.db2.gz QGBALNZSDCUOLW-JOYOIKCWSA-N 0 3 240.303 0.150 20 0 BCADHN O=C([C@@H]1CCCN1C1CC1)N1CCC(O)CC1 ZINC000336103670 134084193 /nfs/dbraw/zinc/08/41/93/134084193.db2.gz QVASTEIQSUOXGX-LBPRGKRZSA-N 0 3 238.331 0.597 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CCCOC1 ZINC000336150678 134104091 /nfs/dbraw/zinc/10/40/91/134104091.db2.gz ZNOPJPIVKKEKNF-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CN1CC[C@]2(CCN(C(=O)C3(O)CCC3)C2)C1 ZINC000336151545 134104596 /nfs/dbraw/zinc/10/45/96/134104596.db2.gz AHEROECNEBZZCB-LBPRGKRZSA-N 0 3 238.331 0.456 20 0 BCADHN COC1CC(N(C)CCn2cncn2)C1 ZINC000352230428 134110769 /nfs/dbraw/zinc/11/07/69/134110769.db2.gz KBJHHLJPFLFLPN-UHFFFAOYSA-N 0 3 210.281 0.387 20 0 BCADHN C[C@@H]1CN(CC(=O)NC(N)=O)CC(C)(C)C1 ZINC000336176455 134117025 /nfs/dbraw/zinc/11/70/25/134117025.db2.gz HVSPUUSSWNGISA-QMMMGPOBSA-N 0 3 227.308 0.549 20 0 BCADHN C[C@H](NC(=O)N(C)CCN(C)C)c1ccon1 ZINC000352257685 134119656 /nfs/dbraw/zinc/11/96/56/134119656.db2.gz PZXXCEXZAIPXEU-VIFPVBQESA-N 0 3 240.307 0.939 20 0 BCADHN C[C@@H](N)C(=O)N(C)Cc1nc2ccccc2n1C ZINC000168842555 134247197 /nfs/dbraw/zinc/24/71/97/134247197.db2.gz DGGYFLJFPGHCQZ-SECBINFHSA-N 0 3 246.314 0.879 20 0 BCADHN C[C@H](N)C(=O)N(C)Cc1nc2ccccc2n1C ZINC000168842475 134247258 /nfs/dbraw/zinc/24/72/58/134247258.db2.gz DGGYFLJFPGHCQZ-VIFPVBQESA-N 0 3 246.314 0.879 20 0 BCADHN COCCNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000170740503 134253264 /nfs/dbraw/zinc/25/32/64/134253264.db2.gz HANLUHUFTVSTEW-NSHDSACASA-N 0 3 241.335 0.513 20 0 BCADHN O=C([C@@H]1CCCOC1)N1CCN2CCC[C@@H]2C1 ZINC000171299603 134256793 /nfs/dbraw/zinc/25/67/93/134256793.db2.gz MEULXQCPYRHQHW-VXGBXAGGSA-N 0 3 238.331 0.720 20 0 BCADHN COC(=O)[C@H]1CCCN(CCCNC(C)=O)C1 ZINC000171059179 134257352 /nfs/dbraw/zinc/25/73/52/134257352.db2.gz RQQMQHRLHJEWIG-NSHDSACASA-N 0 3 242.319 0.398 20 0 BCADHN O=C(NCC1CC1)N1CCN2CCC[C@@H]2C1 ZINC000171899900 134259763 /nfs/dbraw/zinc/25/97/63/134259763.db2.gz YONUEVCIOMSVIR-LLVKDONJSA-N 0 3 223.320 0.886 20 0 BCADHN O=C1OCC[C@H]1N1CCCN(C2CC2)CC1 ZINC000172543785 134268262 /nfs/dbraw/zinc/26/82/62/134268262.db2.gz WSVCCKGRVSCFOE-LLVKDONJSA-N 0 3 224.304 0.472 20 0 BCADHN C[C@H](C(N)=O)N1CCCN(C2CC2)CC1 ZINC000172542357 134268291 /nfs/dbraw/zinc/26/82/91/134268291.db2.gz KWIKOOHPJKENJW-SECBINFHSA-N 0 3 211.309 0.030 20 0 BCADHN CCN(CCNC(=O)CC(=O)N(C)C)C1CC1 ZINC000172765733 134269590 /nfs/dbraw/zinc/26/95/90/134269590.db2.gz JFMFTTBYQQIJLX-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CCCS(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000173249032 134273338 /nfs/dbraw/zinc/27/33/38/134273338.db2.gz JSAANYLPYBKCLC-QWRGUYRKSA-N 0 3 248.392 0.998 20 0 BCADHN CC(C(=O)NCCC1CC1)S(C)(=O)=O ZINC000174668670 134282801 /nfs/dbraw/zinc/28/28/01/134282801.db2.gz KDBVINHFZHLEFQ-ZETCQYMHSA-N 0 3 219.306 0.336 20 0 BCADHN C[Si](C)(C)CN1CCN2C(=O)NC[C@@H]2C1 ZINC000175879910 134288266 /nfs/dbraw/zinc/28/82/66/134288266.db2.gz UDUPNJCBDZZOMK-SECBINFHSA-N 0 3 227.384 0.573 20 0 BCADHN C[Si](C)(C)CN1CCN2C(=O)NC[C@H]2C1 ZINC000175879926 134288489 /nfs/dbraw/zinc/28/84/89/134288489.db2.gz UDUPNJCBDZZOMK-VIFPVBQESA-N 0 3 227.384 0.573 20 0 BCADHN CC(C)CCN1CCN2C(=O)NC[C@@H]2C1 ZINC000175872357 134288562 /nfs/dbraw/zinc/28/85/62/134288562.db2.gz XIMBYSCTDLWKSD-SNVBAGLBSA-N 0 3 211.309 0.742 20 0 BCADHN CCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000175842300 134289433 /nfs/dbraw/zinc/28/94/33/134289433.db2.gz JYJYQGOBZAAYTL-UHFFFAOYSA-N 0 3 241.316 0.688 20 0 BCADHN COCCN(C)CCNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000175953699 134289607 /nfs/dbraw/zinc/28/96/07/134289607.db2.gz DQQAVQXYMCWCHG-NEPJUHHUSA-N 0 3 240.347 0.727 20 0 BCADHN CCO[C@H](C)C(=O)N(C)CCN(C)C ZINC000177680578 134301067 /nfs/dbraw/zinc/30/10/67/134301067.db2.gz WZQSLLAOLDJLDY-SECBINFHSA-N 0 3 202.298 0.431 20 0 BCADHN COC[C@@H](O)CN1CCS[C@H]2COCC[C@@H]21 ZINC000177940988 134302249 /nfs/dbraw/zinc/30/22/49/134302249.db2.gz XANXWGQIYWMOEE-DCAQKATOSA-N 0 3 247.360 0.200 20 0 BCADHN O=C(N[C@H]1CCc2n[nH]cc2C1)[C@H]1CCCCN1 ZINC000178023416 134302568 /nfs/dbraw/zinc/30/25/68/134302568.db2.gz VBRQREUTGPEVTP-CMPLNLGQSA-N 0 3 248.330 0.525 20 0 BCADHN CCN(C)C(=O)CCN1CCC[C@H]1C(=O)NC ZINC000178192933 134304749 /nfs/dbraw/zinc/30/47/49/134304749.db2.gz OYEDIHOLONFFKN-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN O=C([C@@H]1CCCCO1)N1CCN2CCC[C@@H]2C1 ZINC000178549729 134308134 /nfs/dbraw/zinc/30/81/34/134308134.db2.gz NQQMQBOOWDBSPE-NEPJUHHUSA-N 0 3 238.331 0.862 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1CCCF ZINC000178404036 134309906 /nfs/dbraw/zinc/30/99/06/134309906.db2.gz WBCAUVSWKFQBLF-VIFPVBQESA-N 0 3 202.273 0.947 20 0 BCADHN Cc1cc(F)cc(S(=O)(=O)NC2CNC2)c1 ZINC000178943781 134313520 /nfs/dbraw/zinc/31/35/20/134313520.db2.gz PRQWFNYTMWQGML-UHFFFAOYSA-N 0 3 244.291 0.384 20 0 BCADHN Nc1ccnc(CN2CCCN(C3CC3)CC2)n1 ZINC000179204402 134318734 /nfs/dbraw/zinc/31/87/34/134318734.db2.gz QBSRJYBMNVLRTK-UHFFFAOYSA-N 0 3 247.346 0.729 20 0 BCADHN O=C1NCCCC[C@H]1N1CCN2CCC[C@@H]2C1 ZINC000179301012 134318892 /nfs/dbraw/zinc/31/88/92/134318892.db2.gz XRMPZTCOIVXBNM-VXGBXAGGSA-N 0 3 237.347 0.435 20 0 BCADHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1c[nH]cn1 ZINC000179434865 134320509 /nfs/dbraw/zinc/32/05/09/134320509.db2.gz QTAHQRMHXQATBL-BDAKNGLRSA-N 0 3 222.292 0.496 20 0 BCADHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cnc[nH]1 ZINC000179434865 134320510 /nfs/dbraw/zinc/32/05/10/134320510.db2.gz QTAHQRMHXQATBL-BDAKNGLRSA-N 0 3 222.292 0.496 20 0 BCADHN CCCCNC(=O)CN[C@H](CO)C(C)(C)C ZINC000180628409 134330481 /nfs/dbraw/zinc/33/04/81/134330481.db2.gz HEEFCNXPZZUNHH-SNVBAGLBSA-N 0 3 230.352 0.899 20 0 BCADHN C[C@@]1(C(=O)NN2CCCCC2=O)CCCCN1 ZINC000180945266 134332341 /nfs/dbraw/zinc/33/23/41/134332341.db2.gz YHRAAQMVZIYGJA-LBPRGKRZSA-N 0 3 239.319 0.562 20 0 BCADHN CO[C@@H](C)CN1CCC(n2cncn2)CC1 ZINC000182105136 134342092 /nfs/dbraw/zinc/34/20/92/134342092.db2.gz VSJZZWGWXNEWPD-JTQLQIEISA-N 0 3 224.308 0.950 20 0 BCADHN CNC(=O)[C@H]1CCCCN1C[C@@H](C)OC ZINC000182114391 134342163 /nfs/dbraw/zinc/34/21/63/134342163.db2.gz OIMVBRMZOKDMSZ-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](CO)CCCN[C@@H](C)CS(C)(=O)=O ZINC000223819539 134342831 /nfs/dbraw/zinc/34/28/31/134342831.db2.gz LYCZUTZKEBGFMS-ZJUUUORDSA-N 0 3 237.365 0.418 20 0 BCADHN CNC(=O)CC1CCN(C[C@H](C)OC)CC1 ZINC000182207894 134342916 /nfs/dbraw/zinc/34/29/16/134342916.db2.gz CAPGGAINKVRHQZ-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CCC(CC)CN1CCO[C@H](C(=O)NC)C1 ZINC000182476094 134345576 /nfs/dbraw/zinc/34/55/76/134345576.db2.gz VKYZINYOZKCBKH-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)n1cnc(S(=O)(=O)[N-]CCC[NH3+])c1 ZINC000183114418 134349024 /nfs/dbraw/zinc/34/90/24/134349024.db2.gz RKBLNGRMICGBGC-UHFFFAOYSA-N 0 3 246.336 0.091 20 0 BCADHN CCOC1CC(NC[C@H](O)C(F)F)C1 ZINC000224711461 134350220 /nfs/dbraw/zinc/35/02/20/134350220.db2.gz OWAMNECMDZEQSG-RRQHEKLDSA-N 0 3 209.236 0.770 20 0 BCADHN CC[C@H](COC)N[C@@H](C(=O)NC)C(C)C ZINC000183211468 134352878 /nfs/dbraw/zinc/35/28/78/134352878.db2.gz WMHFNMWMGNJQDR-NXEZZACHSA-N 0 3 216.325 0.772 20 0 BCADHN OCCCN1CCCN(c2ccccn2)CC1 ZINC000183837105 134356683 /nfs/dbraw/zinc/35/66/83/134356683.db2.gz RTOBHFGMXLZTFK-UHFFFAOYSA-N 0 3 235.331 0.976 20 0 BCADHN CC(C(=O)N1CCCC2(CC2)C1)S(C)(=O)=O ZINC000184096595 134357930 /nfs/dbraw/zinc/35/79/30/134357930.db2.gz KJHGLLWTEHMXIV-SECBINFHSA-N 0 3 245.344 0.822 20 0 BCADHN Cc1cc(CNC[C@@H]2CCCN2C)n(C)n1 ZINC000226054872 134358631 /nfs/dbraw/zinc/35/86/31/134358631.db2.gz BRHIACKAOFLNKV-NSHDSACASA-N 0 3 222.336 0.912 20 0 BCADHN CCn1cnnc1CNC(=O)[C@@H](N)CC(C)C ZINC000226390850 134364975 /nfs/dbraw/zinc/36/49/75/134364975.db2.gz JMGXAMQJMOGSDL-VIFPVBQESA-N 0 3 239.323 0.288 20 0 BCADHN Cn1cc(CNC[C@@H]2CCSC2)nn1 ZINC000226387196 134365042 /nfs/dbraw/zinc/36/50/42/134365042.db2.gz OPOQZICTWQQOTD-QMMMGPOBSA-N 0 3 212.322 0.658 20 0 BCADHN CCCC(=O)NCCOCCN(C)C ZINC000226426486 134365828 /nfs/dbraw/zinc/36/58/28/134365828.db2.gz KHEIDQFHQSUGRQ-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN CCOC[C@@H](O)CN1CCC[C@@H](C(=O)OC)C1 ZINC000226656648 134368359 /nfs/dbraw/zinc/36/83/59/134368359.db2.gz QKNMEQNCJNSGFS-MNOVXSKESA-N 0 3 245.319 0.269 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCn1cc(C)cn1 ZINC000226675619 134368536 /nfs/dbraw/zinc/36/85/36/134368536.db2.gz NCWILDKPVUAKFL-LLVKDONJSA-N 0 3 238.335 0.825 20 0 BCADHN COCCC(C)(C)CNC(=O)NCCN(C)C ZINC000185152578 134372364 /nfs/dbraw/zinc/37/23/64/134372364.db2.gz WNDZVQPMMGJSSU-UHFFFAOYSA-N 0 3 245.367 0.910 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@H](CCO)C(C)C ZINC000227010741 134373940 /nfs/dbraw/zinc/37/39/40/134373940.db2.gz VITIRPONVNQLNZ-WDEREUQCSA-N 0 3 230.352 0.898 20 0 BCADHN COC[C@@H](O)CN(C)[C@@H]1CCCOC1 ZINC000227080804 134374119 /nfs/dbraw/zinc/37/41/19/134374119.db2.gz JHDVCQCFPGIJCD-ZJUUUORDSA-N 0 3 203.282 0.105 20 0 BCADHN COC[C@H]1CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000227085098 134374612 /nfs/dbraw/zinc/37/46/12/134374612.db2.gz KINBWDKHOIXILH-JGVFFNPUSA-N 0 3 227.226 0.878 20 0 BCADHN CCCCN(CC)C(=O)[C@@H](CN)OC ZINC000227344159 134377925 /nfs/dbraw/zinc/37/79/25/134377925.db2.gz UWGLMNLSGPRNRL-SECBINFHSA-N 0 3 202.298 0.609 20 0 BCADHN CC[C@H](C)CN(C)C(=O)[C@@H](CN)OC ZINC000227348169 134378171 /nfs/dbraw/zinc/37/81/71/134378171.db2.gz OUMMGMNIMVMOOT-DTWKUNHWSA-N 0 3 202.298 0.465 20 0 BCADHN C1C[C@@H](N2CCN3CCCC[C@@H]3C2)CO1 ZINC000227352687 134378379 /nfs/dbraw/zinc/37/83/79/134378379.db2.gz YXGBBEPVPVHCAN-VXGBXAGGSA-N 0 3 210.321 0.945 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H](C)CCC(C)C ZINC000227350432 134378710 /nfs/dbraw/zinc/37/87/10/134378710.db2.gz YJSLWOVCXIVEPT-ZJUUUORDSA-N 0 3 216.325 0.901 20 0 BCADHN CCC(CC)CNC(=O)[C@@H](CN)OC ZINC000227408135 134380810 /nfs/dbraw/zinc/38/08/10/134380810.db2.gz NKFDSKSFFUQJQK-SECBINFHSA-N 0 3 202.298 0.513 20 0 BCADHN CO[C@@H](CN)C(=O)NCCC(C)(C)C ZINC000227408121 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ZINC000079038851 135268176 /nfs/dbraw/zinc/26/81/76/135268176.db2.gz BVUMTGGQKJSQCE-UHFFFAOYSA-N 0 3 229.324 0.010 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCNC[C@@H]1C ZINC000262023356 135273652 /nfs/dbraw/zinc/27/36/52/135273652.db2.gz MPTLURSZSKUSBW-SRVKXCTJSA-N 0 3 239.363 0.680 20 0 BCADHN COCCNCCNC(=O)c1[nH]c(C)cc1C ZINC000262119138 135279620 /nfs/dbraw/zinc/27/96/20/135279620.db2.gz LUBBMHUUBNWTNX-UHFFFAOYSA-N 0 3 239.319 0.597 20 0 BCADHN C[C@@H](CO)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000079131517 135282056 /nfs/dbraw/zinc/28/20/56/135282056.db2.gz DNSBICNHHRMWGF-QWRGUYRKSA-N 0 3 243.351 0.398 20 0 BCADHN CCC[C@@H](N)C(=O)N1CC[C@](F)(C(=O)OC)C1 ZINC000262169196 135283561 /nfs/dbraw/zinc/28/35/61/135283561.db2.gz WRVGMFXAWMQMRO-LDYMZIIASA-N 0 3 246.282 0.227 20 0 BCADHN C[C@@H](C(N)=O)N(C)CC[C@@H]1CCCO1 ZINC000342591932 135293376 /nfs/dbraw/zinc/29/33/76/135293376.db2.gz DXPQKRCAPLZMKW-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)CCC(=O)N(C)C ZINC000342628697 135297563 /nfs/dbraw/zinc/29/75/63/135297563.db2.gz GXYAJRHSNVNSCZ-PSLIRLAXSA-N 0 3 234.365 0.164 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](C)c1ncon1 ZINC000262377395 135297630 /nfs/dbraw/zinc/29/76/30/135297630.db2.gz JUOCQXBZRQWZGK-GMSGAONNSA-N 0 3 226.280 0.764 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)C[C@H]1CCOC1 ZINC000342641281 135299093 /nfs/dbraw/zinc/29/90/93/135299093.db2.gz YCNQXAPVHVZTGT-RULNRJAQSA-N 0 3 219.350 0.722 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C1CCCCC1 ZINC000262441035 135299326 /nfs/dbraw/zinc/29/93/26/135299326.db2.gz AWXCWNFCLVQYST-WPRPVWTQSA-N 0 3 241.335 0.274 20 0 BCADHN Cc1c(NC(=O)C2(N)CCCC2)cnn1C ZINC000262446548 135299635 /nfs/dbraw/zinc/29/96/35/135299635.db2.gz CWXKUSRICNWQQE-UHFFFAOYSA-N 0 3 222.292 0.939 20 0 BCADHN CCCCN1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366782846 135299938 /nfs/dbraw/zinc/29/99/38/135299938.db2.gz CCOZCWZNTSNDEI-ZJUUUORDSA-N 0 3 212.293 0.376 20 0 BCADHN CN(CC[C@H]1CCCO1)[C@H]1CCNC1=O ZINC000342609939 135302878 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KZGGPGGWUYZIBF-VIFPVBQESA-N 0 3 212.297 0.720 20 0 BCADHN CC[C@@H](O)CN(C)CCOCCOC ZINC000336697894 487557544 /nfs/dbraw/zinc/55/75/44/487557544.db2.gz VAKTUZWNDPHFRN-SNVBAGLBSA-N 0 3 205.298 0.352 20 0 BCADHN CC[C@@H](N)C(=O)N(C)c1c(C)noc1C ZINC000309456002 487558208 /nfs/dbraw/zinc/55/82/08/487558208.db2.gz NPYNODWQOWFNPT-MRVPVSSYSA-N 0 3 211.265 0.992 20 0 BCADHN CN(C)c1cccc(CN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000674306369 487557729 /nfs/dbraw/zinc/55/77/29/487557729.db2.gz HUJDUXXYSJSCPK-BETUJISGSA-N 0 3 236.315 0.290 20 0 BCADHN CC(C)OC(=O)CCN1C[C@@H](O)C[C@@H]1C ZINC000340906299 167155605 /nfs/dbraw/zinc/15/56/05/167155605.db2.gz KXHSOOUTWQZILL-UWVGGRQHSA-N 0 3 215.293 0.783 20 0 BCADHN CC(C)OC(=O)CCNC(=O)[C@@H]1CCCN1C ZINC000330684867 167156255 /nfs/dbraw/zinc/15/62/55/167156255.db2.gz TVQVCKIDVNQNMF-JTQLQIEISA-N 0 3 242.319 0.539 20 0 BCADHN CC[C@H](CN1CCCC1)NS(=O)(=O)N(C)C ZINC000674345302 487562969 /nfs/dbraw/zinc/56/29/69/487562969.db2.gz OKMNAIZJFMEBTG-SNVBAGLBSA-N 0 3 249.380 0.257 20 0 BCADHN Cc1c[nH]nc1CN[C@@H](C)[C@H]1CN(C)CCO1 ZINC000685618628 487565717 /nfs/dbraw/zinc/56/57/17/487565717.db2.gz LZAAJLJDEYRCEZ-CMPLNLGQSA-N 0 3 238.335 0.527 20 0 BCADHN CNC(=O)[C@H](CC(C)C)NCc1[nH]ncc1C ZINC000685619305 487565771 /nfs/dbraw/zinc/56/57/71/487565771.db2.gz GYERWQHTCBOJPY-JTQLQIEISA-N 0 3 238.335 0.968 20 0 BCADHN CN(C)CCNC(=O)c1ncccc1F ZINC000169930018 487567218 /nfs/dbraw/zinc/56/72/18/487567218.db2.gz YXVGFFSZKOIJPP-UHFFFAOYSA-N 0 3 211.240 0.512 20 0 BCADHN CC(C)OCC(=O)N1CCN(C)CC[C@@H]1C ZINC000336520052 167182212 /nfs/dbraw/zinc/18/22/12/167182212.db2.gz GMRZKXVSMPMZKD-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN COC(=O)CCC1CCN([C@H](C)C(N)=O)CC1 ZINC000530764325 322893126 /nfs/dbraw/zinc/89/31/26/322893126.db2.gz OZSVIYHCELOFHI-SECBINFHSA-N 0 3 242.319 0.525 20 0 BCADHN N[C@@H]1CN(C(=O)c2ccc(F)cn2)CC[C@H]1F ZINC000659386614 487574903 /nfs/dbraw/zinc/57/49/03/487574903.db2.gz CWMSPVNWCURQGQ-RKDXNWHRSA-N 0 3 241.241 0.732 20 0 BCADHN CC(C)OCCCN1CCCN(C(N)=O)CC1 ZINC000111688071 167211123 /nfs/dbraw/zinc/21/11/23/167211123.db2.gz SEDFHJOQNZCWTJ-UHFFFAOYSA-N 0 3 243.351 0.888 20 0 BCADHN CC(C)OCCCN(C)[C@H](C)C(=O)NC(N)=O ZINC000354204820 167212840 /nfs/dbraw/zinc/21/28/40/167212840.db2.gz PIKVSOWFQBYYHC-SECBINFHSA-N 0 3 245.323 0.317 20 0 BCADHN CN1CCCC[C@@H]1C(=O)N1CCCNCC1 ZINC000082241602 487580335 /nfs/dbraw/zinc/58/03/35/487580335.db2.gz MHOIBQXMLYTPRU-LLVKDONJSA-N 0 3 225.336 0.293 20 0 BCADHN CC(C)OCCN1CCC(CC(N)=O)CC1 ZINC000048024886 167231219 /nfs/dbraw/zinc/23/12/19/167231219.db2.gz VKPYWOQWOVPSBD-UHFFFAOYSA-N 0 3 228.336 0.999 20 0 BCADHN COC[C@@H](N[C@@H](C)CS(C)(=O)=O)C(C)C ZINC000083398800 322909851 /nfs/dbraw/zinc/90/98/51/322909851.db2.gz GNUDXOUKXXPFLI-VHSXEESVSA-N 0 3 237.365 0.680 20 0 BCADHN CC(C)[C@@H](N)c1cn(Cc2cnns2)nn1 ZINC000393793767 487583193 /nfs/dbraw/zinc/58/31/93/487583193.db2.gz IJOODBLNQMSYKN-SECBINFHSA-N 0 3 238.320 0.834 20 0 BCADHN CO[C@H]1CCN(CCn2ccccc2=O)C1 ZINC000674468215 487584138 /nfs/dbraw/zinc/58/41/38/487584138.db2.gz XVWCIIMXXOIINF-NSHDSACASA-N 0 3 222.288 0.569 20 0 BCADHN Cc1ccc([C@H]([NH3+])C(=O)NCc2nnc[n-]2)cc1 ZINC000228092845 487586414 /nfs/dbraw/zinc/58/64/14/487586414.db2.gz VXXXNHJJPSVUEY-NSHDSACASA-N 0 3 245.286 0.429 20 0 BCADHN Cc1ccc([C@H](N)C(=O)NCc2nc[nH]n2)cc1 ZINC000228092845 487586402 /nfs/dbraw/zinc/58/64/02/487586402.db2.gz VXXXNHJJPSVUEY-NSHDSACASA-N 0 3 245.286 0.429 20 0 BCADHN Cc1ccc([C@H](N)C(=O)NCc2nnc[nH]2)cc1 ZINC000228092845 487586411 /nfs/dbraw/zinc/58/64/11/487586411.db2.gz VXXXNHJJPSVUEY-NSHDSACASA-N 0 3 245.286 0.429 20 0 BCADHN Cc1cn[nH]c1CN(C)C[C@@H](O)C1CC1 ZINC000685847970 487588046 /nfs/dbraw/zinc/58/80/46/487588046.db2.gz BVHIXNCDPABXNN-LLVKDONJSA-N 0 3 209.293 0.921 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCC(C)(CO)CC1 ZINC000186944426 167262053 /nfs/dbraw/zinc/26/20/53/167262053.db2.gz SYSSSSKBUHIBFC-LBPRGKRZSA-N 0 3 245.363 0.867 20 0 BCADHN CC(C)OC[C@@H](O)CN[C@H](C)c1cnn(C)c1 ZINC000273281983 167261270 /nfs/dbraw/zinc/26/12/70/167261270.db2.gz ISVAXSNNCFJLFH-PWSUYJOCSA-N 0 3 241.335 0.857 20 0 BCADHN CC(C)OC[C@H](C)NC[C@H]1CN(C)CCN1C ZINC000337346120 167265100 /nfs/dbraw/zinc/26/51/00/167265100.db2.gz VUYIEMPJUIZNOB-STQMWFEESA-N 0 3 243.395 0.635 20 0 BCADHN CC(C)OC[C@H](O)CN1CC([C@H]2CCOC2)C1 ZINC000366491911 167268523 /nfs/dbraw/zinc/26/85/23/167268523.db2.gz LNYRXWMYMMKVBQ-WCQYABFASA-N 0 3 243.347 0.741 20 0 BCADHN O[C@H](CN[C@@H]1CCOC1)COc1ccccc1 ZINC000095015517 322915017 /nfs/dbraw/zinc/91/50/17/322915017.db2.gz OYWJEVYLCXWGAL-VXGBXAGGSA-N 0 3 237.299 0.805 20 0 BCADHN C[C@@H](CO)CN1CCCC[C@@]1(C)C(N)=O ZINC000680433492 487592529 /nfs/dbraw/zinc/59/25/29/487592529.db2.gz MVVKGNVEAZQAHC-KOLCDFICSA-N 0 3 214.309 0.345 20 0 BCADHN C1COC[C@@H](N2CCN3CCOC[C@@H]3C2)C1 ZINC000680430217 487592872 /nfs/dbraw/zinc/59/28/72/487592872.db2.gz SKXALRVGPFUZSI-RYUDHWBXSA-N 0 3 226.320 0.182 20 0 BCADHN Cc1ccc(CN2CCN3C[C@H](O)C[C@H]3C2)nc1 ZINC000653829174 487594895 /nfs/dbraw/zinc/59/48/95/487594895.db2.gz BPENZCZOIGIRCT-UONOGXRCSA-N 0 3 247.342 0.641 20 0 BCADHN COC[C@H]1CCCN1C(=O)C1CCN(C)CC1 ZINC000674587259 487596999 /nfs/dbraw/zinc/59/69/99/487596999.db2.gz FWGFIXKBXNPZFW-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1[C@H](O)CCN1CCOCC(F)F ZINC000650190855 487599001 /nfs/dbraw/zinc/59/90/01/487599001.db2.gz AUKHCLAGTJQQHT-HTQZYQBOSA-N 0 3 209.236 0.723 20 0 BCADHN CN[C@@H](C)C(=O)NC1(C)CCOCC1 ZINC000229900500 487600950 /nfs/dbraw/zinc/60/09/50/487600950.db2.gz RJZCLCNUGLYMSB-QMMMGPOBSA-N 0 3 200.282 0.280 20 0 BCADHN Cc1cc(CC(=O)N[C@@H]2CCCN(C)C2)no1 ZINC000673660874 487603279 /nfs/dbraw/zinc/60/32/79/487603279.db2.gz FGBCATWXHHTRFJ-SNVBAGLBSA-N 0 3 237.303 0.736 20 0 BCADHN OC[C@H]1C[C@@H](O)CN1Cc1ccc2[nH]cnc2c1 ZINC000680482001 487603767 /nfs/dbraw/zinc/60/37/67/487603767.db2.gz JNDOWHCBLSYWQH-GHMZBOCLSA-N 0 3 247.298 0.490 20 0 BCADHN OC[C@H]1C[C@@H](O)CN1Cc1ccc2nc[nH]c2c1 ZINC000680482001 487603769 /nfs/dbraw/zinc/60/37/69/487603769.db2.gz JNDOWHCBLSYWQH-GHMZBOCLSA-N 0 3 247.298 0.490 20 0 BCADHN CCn1ccc(NC(=O)COC2(C)CNC2)n1 ZINC000305948960 487604489 /nfs/dbraw/zinc/60/44/89/487604489.db2.gz GVVRORAKQGEAKN-UHFFFAOYSA-N 0 3 238.291 0.220 20 0 BCADHN CC(C)[C@H](NC(=O)C[C@H]1CNCCO1)C1CC1 ZINC000324409360 487604851 /nfs/dbraw/zinc/60/48/51/487604851.db2.gz QEPXRTFTFYOTCR-AAEUAGOBSA-N 0 3 240.347 0.916 20 0 BCADHN CC(C)SCCN(CCO)CCO ZINC000308193144 167323938 /nfs/dbraw/zinc/32/39/38/167323938.db2.gz OZZDAAWDJBPOOQ-UHFFFAOYSA-N 0 3 207.339 0.415 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CCS[C@@H]1C ZINC000306245914 487607692 /nfs/dbraw/zinc/60/76/92/487607692.db2.gz ZXFKNKKURVLWCB-RNJXMRFFSA-N 0 3 202.323 0.605 20 0 BCADHN CN(Cc1cnccn1)C[C@@H]1CCC2(CNC2)O1 ZINC000662261473 409556114 /nfs/dbraw/zinc/55/61/14/409556114.db2.gz ZJRYNALDNSUMIL-LBPRGKRZSA-N 0 3 248.330 0.429 20 0 BCADHN CN(CC(F)F)C[C@@H]1CCC2(CNC2)O1 ZINC000662254417 409550728 /nfs/dbraw/zinc/55/07/28/409550728.db2.gz QMGWNBCSMGFTCO-QMMMGPOBSA-N 0 3 220.263 0.704 20 0 BCADHN Cc1noc(C)c1N(C)C[C@H]1CNCCO1 ZINC000662254468 409552898 /nfs/dbraw/zinc/55/28/98/409552898.db2.gz IPHDIFQUVYOWFN-SNVBAGLBSA-N 0 3 225.292 0.716 20 0 BCADHN N[C@@H]1CN(CCOC[C@@H]2CCCO2)CC[C@H]1F ZINC000662325313 409639175 /nfs/dbraw/zinc/63/91/75/409639175.db2.gz LNKGBGZNTAASNN-QJPTWQEYSA-N 0 3 246.326 0.553 20 0 BCADHN CCCCNC(=O)[C@H](C)N1CC[C@@H](F)[C@H](N)C1 ZINC000662322635 409639402 /nfs/dbraw/zinc/63/94/02/409639402.db2.gz MVZLLMOWZQUGCA-HBNTYKKESA-N 0 3 245.342 0.662 20 0 BCADHN CCc1noc(CN2CC[C@@H](F)[C@H](N)C2)n1 ZINC000662321564 409639720 /nfs/dbraw/zinc/63/97/20/409639720.db2.gz GWOCTLAGLHPRAY-HTQZYQBOSA-N 0 3 228.271 0.503 20 0 BCADHN CO[C@@](C)(CO)CNC(=O)[C@H](C(C)C)N(C)C ZINC000655212852 409576982 /nfs/dbraw/zinc/57/69/82/409576982.db2.gz NSHZJXHOYPSDRD-CMPLNLGQSA-N 0 3 246.351 0.086 20 0 BCADHN CO[C@](C)(CO)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000655212854 409578208 /nfs/dbraw/zinc/57/82/08/409578208.db2.gz NSHZJXHOYPSDRD-PWSUYJOCSA-N 0 3 246.351 0.086 20 0 BCADHN c1n[nH]cc1CN1CCC(Cn2cnnc2)CC1 ZINC000651955324 409648358 /nfs/dbraw/zinc/64/83/58/409648358.db2.gz HDSVRSCAZXBWPF-UHFFFAOYSA-N 0 3 246.318 0.913 20 0 BCADHN CC1(C)C[C@H](N2CC[C@H](O)[C@H](CO)C2)CO1 ZINC000660812369 409780333 /nfs/dbraw/zinc/78/03/33/409780333.db2.gz RRGQVWAOSQHCIK-DCAQKATOSA-N 0 3 229.320 0.229 20 0 BCADHN CC[C@H](N)C(=O)NCCc1cncc(C)n1 ZINC000662699280 409848946 /nfs/dbraw/zinc/84/89/46/409848946.db2.gz ZBXOCVJEPACNKB-JTQLQIEISA-N 0 3 222.292 0.181 20 0 BCADHN CC(C)[C@H](O)CN1C[C@H](C)N(CCO)C[C@@H]1C ZINC000660824611 409802452 /nfs/dbraw/zinc/80/24/52/409802452.db2.gz OXJVTCDJLGRHRB-RWMBFGLXSA-N 0 3 244.379 0.390 20 0 BCADHN CC(=O)N[C@H]1CCN(CCn2ccnc2C)C1 ZINC000660833131 409814752 /nfs/dbraw/zinc/81/47/52/409814752.db2.gz KXGZPILUFFSARV-LBPRGKRZSA-N 0 3 236.319 0.402 20 0 BCADHN NC1(C(=O)N2CC[C@@H]3COC[C@@H]3C2)CCC1 ZINC000662712751 409865812 /nfs/dbraw/zinc/86/58/12/409865812.db2.gz TVFAUJHHRILGRQ-ZJUUUORDSA-N 0 3 224.304 0.363 20 0 BCADHN Cc1nnsc1CN[C@@H](C)[C@H](C)CO ZINC000308588070 409886536 /nfs/dbraw/zinc/88/65/36/409886536.db2.gz TWIJATHFJNEGOR-RQJHMYQMSA-N 0 3 215.322 0.953 20 0 BCADHN Cc1sccc1CNC[C@](C)(O)CO ZINC000308651795 409899614 /nfs/dbraw/zinc/89/96/14/409899614.db2.gz KQQNHGBJWMRBNQ-JTQLQIEISA-N 0 3 215.318 0.889 20 0 BCADHN COCCCNC(=O)CN(C)CC(C)C ZINC000055505805 409960198 /nfs/dbraw/zinc/96/01/98/409960198.db2.gz ZTASUZXKVXSQAK-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN CC(F)(F)CNC(=O)C[C@H]1CNCCO1 ZINC000662897146 409969923 /nfs/dbraw/zinc/96/99/23/409969923.db2.gz DHCPRUDYQMCJQA-ZETCQYMHSA-N 0 3 222.235 0.136 20 0 BCADHN CCn1ccnc1[C@H](C)NC(=O)C1(N)CCC1 ZINC000662900494 409973778 /nfs/dbraw/zinc/97/37/78/409973778.db2.gz PWLBBZWIBRVAPX-VIFPVBQESA-N 0 3 236.319 0.962 20 0 BCADHN CCn1ccnc1[C@@H](C)NC(=O)CNC1CC1 ZINC000662900603 409974618 /nfs/dbraw/zinc/97/46/18/409974618.db2.gz RHBBICXXQOMMEW-SECBINFHSA-N 0 3 236.319 0.832 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000662910903 409977425 /nfs/dbraw/zinc/97/74/25/409977425.db2.gz PZBJMYDGXVFOEY-CMPLNLGQSA-N 0 3 226.320 0.623 20 0 BCADHN CCn1ccnc1[C@@H](C)NC(=O)C1(N)CC1 ZINC000662901202 409977688 /nfs/dbraw/zinc/97/76/88/409977688.db2.gz XAQWDHDREMVYHM-MRVPVSSYSA-N 0 3 222.292 0.572 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1NCC1(C)C)c1nccn1C ZINC000662933644 409981595 /nfs/dbraw/zinc/98/15/95/409981595.db2.gz JBHZXYNONYBSPR-BDAKNGLRSA-N 0 3 236.319 0.595 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662955838 409988669 /nfs/dbraw/zinc/98/86/69/409988669.db2.gz VIXZGSMXDARLDP-RQJHMYQMSA-N 0 3 240.225 0.513 20 0 BCADHN CC[C@@H](NC)C(=O)N1CCc2ccncc21 ZINC000662809072 409932638 /nfs/dbraw/zinc/93/26/38/409932638.db2.gz YRTYPTAPJAXCOX-SNVBAGLBSA-N 0 3 219.288 0.969 20 0 BCADHN COCCCNC(=O)[C@H]1NCC1(C)C ZINC000308888395 409935216 /nfs/dbraw/zinc/93/52/16/409935216.db2.gz VEDCHCNOKXMIFF-MRVPVSSYSA-N 0 3 200.282 0.137 20 0 BCADHN COC[C@H](C)CN1CC(N2CC[C@@H](O)C2)C1 ZINC000651977285 409994158 /nfs/dbraw/zinc/99/41/58/409994158.db2.gz CTGBYZOOJSSYTK-ZYHUDNBSSA-N 0 3 228.336 0.020 20 0 BCADHN CCC1(NCc2ncnn2C)CCOCC1 ZINC000389572633 410009135 /nfs/dbraw/zinc/00/91/35/410009135.db2.gz CPPDPJWDMOYEIQ-UHFFFAOYSA-N 0 3 224.308 0.864 20 0 BCADHN COCCNCC(=O)N(C)C[C@H]1CC1(C)C ZINC000662991363 410016332 /nfs/dbraw/zinc/01/63/32/410016332.db2.gz SWCXEGFRSBLKDD-SNVBAGLBSA-N 0 3 228.336 0.727 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@@H](O)C2)C[C@H](C)O1 ZINC000314404221 410002711 /nfs/dbraw/zinc/00/27/11/410002711.db2.gz RVYSYXPXDYXANB-GRYCIOLGSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cn[nH]n1 ZINC000674756178 487612563 /nfs/dbraw/zinc/61/25/63/487612563.db2.gz JEULGYMRAPZGFJ-RKDXNWHRSA-N 0 3 237.307 0.294 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@H](CO)C2)C[C@H](C)O1 ZINC000314429508 410071302 /nfs/dbraw/zinc/07/13/02/410071302.db2.gz WCNWIRLOWKMQOT-XQQFMLRXSA-N 0 3 242.363 0.410 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC[C@H](OC)C1 ZINC000299915275 410076402 /nfs/dbraw/zinc/07/64/02/410076402.db2.gz RASSOWKFBLVUCF-GXSJLCMTSA-N 0 3 231.292 0.021 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC1(CO)CC1 ZINC000131061686 410085984 /nfs/dbraw/zinc/08/59/84/410085984.db2.gz JZIWKYDWSMVTQR-BDAKNGLRSA-N 0 3 214.309 0.249 20 0 BCADHN NCC(=O)N1CCO[C@H](c2ccco2)C1 ZINC000653175245 410149731 /nfs/dbraw/zinc/14/97/31/410149731.db2.gz SDLFXPCZSCJJMD-VIFPVBQESA-N 0 3 210.233 0.138 20 0 BCADHN C[C@H]1SCC[C@H]1NC(=O)CCOC1CNC1 ZINC000653175407 410149756 /nfs/dbraw/zinc/14/97/56/410149756.db2.gz YCHMXNDPAFSTLX-PSASIEDQSA-N 0 3 244.360 0.375 20 0 BCADHN CC(C)N(C)CC(=O)N(C[C@H](C)O)C1CC1 ZINC000655377489 410118551 /nfs/dbraw/zinc/11/85/51/410118551.db2.gz FIGAYEXRQQLXGB-JTQLQIEISA-N 0 3 228.336 0.698 20 0 BCADHN COc1ccc(C(=O)N2CCCNCC2)o1 ZINC000655411648 410216426 /nfs/dbraw/zinc/21/64/26/410216426.db2.gz FPXFCSDJJVKVLF-UHFFFAOYSA-N 0 3 224.260 0.724 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCCCN1CCO ZINC000650594760 410159888 /nfs/dbraw/zinc/15/98/88/410159888.db2.gz CFKVUICPNHMCHI-SRVKXCTJSA-N 0 3 240.347 0.605 20 0 BCADHN CCNC(=O)CCN1CCCN(C(C)=O)CC1 ZINC000046503701 410165677 /nfs/dbraw/zinc/16/56/77/410165677.db2.gz NFGBKOJFBDMRBE-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000309011773 410198350 /nfs/dbraw/zinc/19/83/50/410198350.db2.gz SCYONYVCWDJGMH-IWSPIJDZSA-N 0 3 200.282 0.265 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCC(CCO)CC1 ZINC000653256128 410238155 /nfs/dbraw/zinc/23/81/55/410238155.db2.gz YKZAMCHFVXUOCK-LLVKDONJSA-N 0 3 240.347 0.605 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cnn(CC2CC2)c1 ZINC000655440148 410264207 /nfs/dbraw/zinc/26/42/07/410264207.db2.gz IOLRRWQJCQXJGV-QMMMGPOBSA-N 0 3 222.292 0.840 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000655441084 410264294 /nfs/dbraw/zinc/26/42/94/410264294.db2.gz AJAAFHWSKNSOIY-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN CO[C@H]1CCCN(Cc2c[nH]nn2)CC1 ZINC000661123394 410278806 /nfs/dbraw/zinc/27/88/06/410278806.db2.gz BJRAYZQFUVZQOT-JTQLQIEISA-N 0 3 210.281 0.806 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC([C@H](C)CO)CC1 ZINC000653252308 410232194 /nfs/dbraw/zinc/23/21/94/410232194.db2.gz ORWPKHJWJLROFG-MWLCHTKSSA-N 0 3 228.336 0.591 20 0 BCADHN C[C@H](COCC1CC1)NC(=O)C1(N)CC1 ZINC000653255373 410234355 /nfs/dbraw/zinc/23/43/55/410234355.db2.gz QGVWYDBYXGVZJS-MRVPVSSYSA-N 0 3 212.293 0.409 20 0 BCADHN Nc1cc(CN2C[C@H](O)C3(CC3)C2)ccn1 ZINC000369685111 410339067 /nfs/dbraw/zinc/33/90/67/410339067.db2.gz ZPNQWASZFAOLHX-JTQLQIEISA-N 0 3 219.288 0.621 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@H](CO)C1CCC1 ZINC000661154640 410306682 /nfs/dbraw/zinc/30/66/82/410306682.db2.gz BWDNPURMJKQTNO-CMPLNLGQSA-N 0 3 242.363 0.898 20 0 BCADHN CN(C)CCN(C)c1cc(CO)c(F)cn1 ZINC000663680813 410309153 /nfs/dbraw/zinc/30/91/53/410309153.db2.gz UAFMOEWTXVRLIY-UHFFFAOYSA-N 0 3 227.283 0.711 20 0 BCADHN CC(C)c1cc(N[C@@H](CO)CN(C)C)ncn1 ZINC000663910316 410368484 /nfs/dbraw/zinc/36/84/84/410368484.db2.gz HTWOMPJIEBRJQL-SNVBAGLBSA-N 0 3 238.335 0.934 20 0 BCADHN OC[C@@H]1CN(Cc2ccc3c[nH]nc3c2)C[C@H]1O ZINC000660775361 487615563 /nfs/dbraw/zinc/61/55/63/487615563.db2.gz JMMZKZNLUYCSGS-WCQYABFASA-N 0 3 247.298 0.348 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000130223537 410397185 /nfs/dbraw/zinc/39/71/85/410397185.db2.gz LWSIRDNPGNNWRT-VWYCJHECSA-N 0 3 242.319 0.130 20 0 BCADHN C[C@H]1CN(CCN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1O ZINC000314594612 410458552 /nfs/dbraw/zinc/45/85/52/410458552.db2.gz NGTNXIJQCUBOQJ-WUHRBBMRSA-N 0 3 242.363 0.408 20 0 BCADHN CN1CCC[C@@H](NC(=O)[C@H](N)CC(F)F)C1 ZINC000309222513 410459576 /nfs/dbraw/zinc/45/95/76/410459576.db2.gz YOVULUROVXCTKM-HTQZYQBOSA-N 0 3 235.278 0.179 20 0 BCADHN C[C@@H](CNC(=O)N(C)CC1CN(C)C1)N(C)C ZINC000661276202 410446095 /nfs/dbraw/zinc/44/60/95/410446095.db2.gz WETXVMRRQSZEPL-JTQLQIEISA-N 0 3 242.367 0.140 20 0 BCADHN CCN1C[C@H](CNCc2ccn(C)n2)CC1=O ZINC000652001521 410565533 /nfs/dbraw/zinc/56/55/33/410565533.db2.gz WPDHCTVAXUQCAE-JTQLQIEISA-N 0 3 236.319 0.378 20 0 BCADHN CCN(CC)CC(=O)N1CC(O)(CC)C1 ZINC000339292134 169763002 /nfs/dbraw/zinc/76/30/02/169763002.db2.gz WLRZGRNVEPTPMI-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN CN(CC1CN(C)C1)c1nccn2cnnc12 ZINC000664332270 410557727 /nfs/dbraw/zinc/55/77/27/410557727.db2.gz XKQBBNGLSKUCBW-UHFFFAOYSA-N 0 3 232.291 0.122 20 0 BCADHN C[C@@]1(CO)CCCN1CCn1ccccc1=O ZINC000680582530 487617984 /nfs/dbraw/zinc/61/79/84/487617984.db2.gz FWCOCSXVQWTNTO-ZDUSSCGKSA-N 0 3 236.315 0.695 20 0 BCADHN O=C1C[C@@H](N2CC[C@@H](C3CCC3)C2)C(=O)N1 ZINC000653282131 410638132 /nfs/dbraw/zinc/63/81/32/410638132.db2.gz NFOSRCAUZPEXPB-NXEZZACHSA-N 0 3 222.288 0.524 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](CCO)C(C)C ZINC000305134990 169766849 /nfs/dbraw/zinc/76/68/49/169766849.db2.gz OEVHMUWVGNLUCO-NSHDSACASA-N 0 3 230.352 0.851 20 0 BCADHN CCN(CC)CC(=O)N[C@H](CO)CC1CCC1 ZINC000337545933 169768940 /nfs/dbraw/zinc/76/89/40/169768940.db2.gz CUPLQPOFTGWUOG-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN CN[C@H](C)C(=O)N[C@H]1CCC[C@@H](F)C1 ZINC000655482977 410736489 /nfs/dbraw/zinc/73/64/89/410736489.db2.gz CCDCTHBXZHUZLV-HLTSFMKQSA-N 0 3 202.273 0.991 20 0 BCADHN COCC[C@@H](COC)NC[C@@H](O)C(F)(F)F ZINC000393750650 410757838 /nfs/dbraw/zinc/75/78/38/410757838.db2.gz ODFUKBDCZBESNV-JGVFFNPUSA-N 0 3 245.241 0.551 20 0 BCADHN COCC1(CNC(=O)[C@H](N)C2CCC2)CC1 ZINC000655489906 410805923 /nfs/dbraw/zinc/80/59/23/410805923.db2.gz AKDSHQOBXCXOAT-SNVBAGLBSA-N 0 3 226.320 0.657 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000651108951 410812798 /nfs/dbraw/zinc/81/27/98/410812798.db2.gz MZLLTZLNFUSNAJ-VPOLOUISSA-N 0 3 208.305 0.805 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1cc[nH]n1 ZINC000041016480 410903665 /nfs/dbraw/zinc/90/36/65/410903665.db2.gz RXISRTKXOTZBJQ-SNVBAGLBSA-N 0 3 210.281 0.543 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000040806959 410893410 /nfs/dbraw/zinc/89/34/10/410893410.db2.gz RQIJXPZPJRNQAS-QMMMGPOBSA-N 0 3 249.270 0.693 20 0 BCADHN CN1CCCN(c2cc(CO)ccn2)CC1 ZINC000040864959 410897313 /nfs/dbraw/zinc/89/73/13/410897313.db2.gz SMDHNNALLKYWJV-UHFFFAOYSA-N 0 3 221.304 0.716 20 0 BCADHN CCN(C[C@@H]1CCOC1)C(=O)C(C)(C)N ZINC000040924208 410898735 /nfs/dbraw/zinc/89/87/35/410898735.db2.gz XOWVGEHGTHCZRN-VIFPVBQESA-N 0 3 214.309 0.609 20 0 BCADHN CC(C)N1CC[C@H](N[C@H]2CN(C)C[C@H]2C)C1=O ZINC000358167123 167024723 /nfs/dbraw/zinc/02/47/23/167024723.db2.gz YJTAJUOUILUYCE-WOPDTQHZSA-N 0 3 239.363 0.535 20 0 BCADHN CC(C)N1CC[C@H](N2CCC[C@H](O)CC2)C1=O ZINC000336485885 167025911 /nfs/dbraw/zinc/02/59/11/167025911.db2.gz HMZZQEMYMBJBJS-RYUDHWBXSA-N 0 3 240.347 0.843 20 0 BCADHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cnccn2)C1 ZINC000155802153 167028864 /nfs/dbraw/zinc/02/88/64/167028864.db2.gz UVJOBPWJLXXYNU-PWSUYJOCSA-N 0 3 248.330 0.935 20 0 BCADHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000246827626 167030419 /nfs/dbraw/zinc/03/04/19/167030419.db2.gz DRIXMKSZXUINFH-MWLCHTKSSA-N 0 3 236.319 0.868 20 0 BCADHN CC(C)NC(=O)CCN1CCN(C)[C@H](C)[C@H]1C ZINC000356978162 167039440 /nfs/dbraw/zinc/03/94/40/167039440.db2.gz CKQSEMNYJWXCOT-VXGBXAGGSA-N 0 3 241.379 0.926 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@@H]1CCCO ZINC000052761852 167052846 /nfs/dbraw/zinc/05/28/46/167052846.db2.gz GNRDVISLYBTDNA-LLVKDONJSA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H](O)CC(C)(C)C1 ZINC000336234802 167053317 /nfs/dbraw/zinc/05/33/17/167053317.db2.gz IBVYGRYNYQFMNQ-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@](CO)(C(C)C)C1 ZINC000377677198 167054055 /nfs/dbraw/zinc/05/40/55/167054055.db2.gz MYQRDYCWKWWWMV-CYBMUJFWSA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)NC(=O)CN1C[C@H]2CCC[C@@H](C1)C2O ZINC000369381443 167054984 /nfs/dbraw/zinc/05/49/84/167054984.db2.gz JJIVFWIZQMIDMU-QYJAPNMZSA-N 0 3 240.347 0.604 20 0 BCADHN CC(C)NC(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000035735926 167060238 /nfs/dbraw/zinc/06/02/38/167060238.db2.gz IJDZMAJQZYNIIJ-NXEZZACHSA-N 0 3 214.309 0.668 20 0 BCADHN CC(C)NC(=O)NCCNc1ccncc1 ZINC000336683572 167072849 /nfs/dbraw/zinc/07/28/49/167072849.db2.gz SJODTXMHBCPWFB-UHFFFAOYSA-N 0 3 222.292 0.623 20 0 BCADHN CC(C)NCC(=O)Nc1ccc(=O)n(C)c1 ZINC000037770326 167096742 /nfs/dbraw/zinc/09/67/42/167096742.db2.gz AGWQVLOZWMTPAF-UHFFFAOYSA-N 0 3 223.276 0.322 20 0 BCADHN CC(C)NCC(=O)N1CCO[C@H](C)C1 ZINC000037395551 167098548 /nfs/dbraw/zinc/09/85/48/167098548.db2.gz AEDCVDRSEVSQAU-SECBINFHSA-N 0 3 200.282 0.232 20 0 BCADHN Cc1nccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)n1 ZINC000396918020 410909134 /nfs/dbraw/zinc/90/91/34/410909134.db2.gz MEQJEQWBGGDMRT-IUCAKERBSA-N 0 3 234.303 0.607 20 0 BCADHN CC(C)OCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000122287829 167181866 /nfs/dbraw/zinc/18/18/66/167181866.db2.gz DCYCAHWEOBPAAQ-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)OCCCN(C)[C@@H](C)C(N)=O ZINC000357530292 167208185 /nfs/dbraw/zinc/20/81/85/167208185.db2.gz PHVUTMHFZLRRKN-VIFPVBQESA-N 0 3 202.298 0.607 20 0 BCADHN CC(C)OCCN(CCO)[C@H]1CCO[C@@H]1C ZINC000361557813 167229979 /nfs/dbraw/zinc/22/99/79/167229979.db2.gz SUTGORVSMRQMDJ-NEPJUHHUSA-N 0 3 231.336 0.883 20 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CC(C)OC[C@H](C)N[C@@H](C)C(=O)N(C)C ZINC000336745833 167265074 /nfs/dbraw/zinc/26/50/74/167265074.db2.gz BKRMPIMDTBHARV-UWVGGRQHSA-N 0 3 216.325 0.866 20 0 BCADHN CC(C)OC[C@H](O)CN[C@@H](C)c1cnn(C)c1 ZINC000273281981 167269706 /nfs/dbraw/zinc/26/97/06/167269706.db2.gz ISVAXSNNCFJLFH-CMPLNLGQSA-N 0 3 241.335 0.857 20 0 BCADHN CC(C)SCCN1C[C@@H](O)[C@H](O)C1 ZINC000336643592 167328138 /nfs/dbraw/zinc/32/81/38/167328138.db2.gz ITEGJPQYKJRBNT-RKDXNWHRSA-N 0 3 205.323 0.165 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC(CO)C1)N(C)C ZINC000357757342 167341715 /nfs/dbraw/zinc/34/17/15/167341715.db2.gz QBKFMLXEIKVWKP-JTQLQIEISA-N 0 3 214.309 0.023 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H](C)CCO)N(C)C ZINC000121543976 167345901 /nfs/dbraw/zinc/34/59/01/167345901.db2.gz HBOZHDZGFJHXET-UWVGGRQHSA-N 0 3 216.325 0.460 20 0 BCADHN COC[C@H](CC(C)(C)C)NC(=O)CN ZINC000655496111 410929438 /nfs/dbraw/zinc/92/94/38/410929438.db2.gz CXBJSGQDCVCYNW-QMMMGPOBSA-N 0 3 202.298 0.513 20 0 BCADHN Cn1nccc1CNC(=O)[C@H](N)C1CCC1 ZINC000399041499 411012416 /nfs/dbraw/zinc/01/24/16/411012416.db2.gz QGBMOBPFCMWUMS-SNVBAGLBSA-N 0 3 222.292 0.164 20 0 BCADHN CC[C@H](C)[C@@H](C)NC(=O)CN1CCNCC1 ZINC000042558787 411015395 /nfs/dbraw/zinc/01/53/95/411015395.db2.gz RPQPPWZONONEJY-WDEREUQCSA-N 0 3 227.352 0.442 20 0 BCADHN CCNC(=O)CNC[C@H](OC)C1CC1 ZINC000382114009 410986870 /nfs/dbraw/zinc/98/68/70/410986870.db2.gz LKTNAURAIBEAHL-VIFPVBQESA-N 0 3 200.282 0.137 20 0 BCADHN NC(=O)c1csc(CN[C@H](CO)CCF)c1 ZINC000652017989 410988340 /nfs/dbraw/zinc/98/83/40/410988340.db2.gz HXPGUKCATXBQQG-QMMMGPOBSA-N 0 3 246.307 0.657 20 0 BCADHN CN(Cc1ccc(N)nc1)C[C@@H]1CCOC1 ZINC000398866123 410994380 /nfs/dbraw/zinc/99/43/80/410994380.db2.gz CJSIWSVQAZREDO-NSHDSACASA-N 0 3 221.304 0.962 20 0 BCADHN CCO[C@H]1CCCN(C(=O)[C@@H](N)CC)C1 ZINC000042424921 411003607 /nfs/dbraw/zinc/00/36/07/411003607.db2.gz DWGXTJHEAIZENN-UWVGGRQHSA-N 0 3 214.309 0.751 20 0 BCADHN CCn1nccc1CN[C@@H](CO)CCF ZINC000652019444 411003671 /nfs/dbraw/zinc/00/36/71/411003671.db2.gz RJZWWUZVOMEFHP-SECBINFHSA-N 0 3 215.272 0.713 20 0 BCADHN CCN(C[C@H]1CCOC1)C(=O)[C@H](N)C1CCC1 ZINC000398982229 411006544 /nfs/dbraw/zinc/00/65/44/411006544.db2.gz FAZWDGXRUUTXID-ZYHUDNBSSA-N 0 3 240.347 0.999 20 0 BCADHN N[C@H](C(=O)NCCn1ccnc1)C1CCC1 ZINC000399021384 411008761 /nfs/dbraw/zinc/00/87/61/411008761.db2.gz IBTFYFMUZNILHP-JTQLQIEISA-N 0 3 222.292 0.127 20 0 BCADHN N[C@@H](C(=O)NCc1c[nH]cn1)C1CCC1 ZINC000399021438 411008997 /nfs/dbraw/zinc/00/89/97/411008997.db2.gz IDPNGITVCOZRKS-SECBINFHSA-N 0 3 208.265 0.153 20 0 BCADHN CN(CCc1ccccn1)C[C@@H]1COCCO1 ZINC000661608879 411048346 /nfs/dbraw/zinc/04/83/46/411048346.db2.gz YFKLKBCEBAJZAT-CYBMUJFWSA-N 0 3 236.315 0.971 20 0 BCADHN C[C@@H](Cn1cccn1)NC1COCCOC1 ZINC000393815550 411065893 /nfs/dbraw/zinc/06/58/93/411065893.db2.gz GEEARAQSEYEYAX-JTQLQIEISA-N 0 3 225.292 0.277 20 0 BCADHN CCN1CC[C@@H](N2C[C@@H](C)[C@H](O)[C@@H](C)C2)C1=O ZINC000661620340 411071682 /nfs/dbraw/zinc/07/16/82/411071682.db2.gz JCQZWRFXYKZMPZ-KXNHARMFSA-N 0 3 240.347 0.556 20 0 BCADHN COCC1(CN2CCOC[C@@H](O)C2)CCC1 ZINC000399936998 411074133 /nfs/dbraw/zinc/07/41/33/411074133.db2.gz ULRKDTBVMHFGCX-NSHDSACASA-N 0 3 229.320 0.496 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)C(F)(F)F)C[C@H](C)[C@H]1O ZINC000661625389 411084243 /nfs/dbraw/zinc/08/42/43/411084243.db2.gz LUHLXLGOFAFLGK-XAVMHZPKSA-N 0 3 241.253 0.858 20 0 BCADHN CCN1CCN(CCNC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000042590321 411021966 /nfs/dbraw/zinc/02/19/66/411021966.db2.gz MRZMAOOEQOCGEB-VXGBXAGGSA-N 0 3 239.363 0.396 20 0 BCADHN CCc1nn(C)cc1CN[C@@H](CO)CCF ZINC000652020480 411025532 /nfs/dbraw/zinc/02/55/32/411025532.db2.gz ZEPACNJOUJJZDA-SNVBAGLBSA-N 0 3 229.299 0.793 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCCOC(C)(C)C1 ZINC000309527467 411162888 /nfs/dbraw/zinc/16/28/88/411162888.db2.gz CULBDSXLWKVVNV-SNVBAGLBSA-N 0 3 228.336 0.997 20 0 BCADHN CCO[C@H](C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655509219 411132818 /nfs/dbraw/zinc/13/28/18/411132818.db2.gz GIBILOIORGEDFV-RITPCOANSA-N 0 3 228.214 0.417 20 0 BCADHN CCO[C@H](CC)C(=O)N[C@H](CN)C(F)(F)F ZINC000655509627 411139424 /nfs/dbraw/zinc/13/94/24/411139424.db2.gz HSPGUWKQHLMEIE-RNFRBKRXSA-N 0 3 242.241 0.807 20 0 BCADHN NC[C@@H](NC(=O)COCC1CC1)C(F)(F)F ZINC000655510075 411145918 /nfs/dbraw/zinc/14/59/18/411145918.db2.gz LPRWQUIICXPHNR-SSDOTTSWSA-N 0 3 240.225 0.419 20 0 BCADHN CN(C)CC(C)(C)NC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000655875596 411152007 /nfs/dbraw/zinc/15/20/07/411152007.db2.gz JMPXOACPTZANCA-MYJAWHEDSA-N 0 3 241.335 0.271 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2cn3ccccc3n2)C1 ZINC000651940211 411153155 /nfs/dbraw/zinc/15/31/55/411153155.db2.gz CVCQVSOAHSLTSS-AOOOYVTPSA-N 0 3 244.298 0.688 20 0 BCADHN CCOC[C@@H]1CCN([C@@H]2CCN(CC)C2=O)C1 ZINC000659981950 411153787 /nfs/dbraw/zinc/15/37/87/411153787.db2.gz AQKFRPJSAUUBIA-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1ccncc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651939142 411154285 /nfs/dbraw/zinc/15/42/85/411154285.db2.gz VGHPMYQLUXZHSU-JGZJWPJOSA-N 0 3 219.288 0.744 20 0 BCADHN CN(Cc1cccc(O)c1)C[C@@H]1CNC(=O)C1 ZINC000659983629 411155979 /nfs/dbraw/zinc/15/59/79/411155979.db2.gz RLWHUUWSNZXEPU-NSHDSACASA-N 0 3 234.299 0.960 20 0 BCADHN COCCN(C(=O)[C@@H](C)N)C1CCCC1 ZINC000309506593 411156145 /nfs/dbraw/zinc/15/61/45/411156145.db2.gz WACPXMCHFGVYJF-SECBINFHSA-N 0 3 214.309 0.751 20 0 BCADHN COCCN(C(=O)[C@H](C)N)C1CCCC1 ZINC000309506594 411156319 /nfs/dbraw/zinc/15/63/19/411156319.db2.gz WACPXMCHFGVYJF-VIFPVBQESA-N 0 3 214.309 0.751 20 0 BCADHN COCCN(C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655911724 411157538 /nfs/dbraw/zinc/15/75/38/411157538.db2.gz MCUFVEMHSXGIEB-LURJTMIESA-N 0 3 243.229 0.164 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000309513925 411157860 /nfs/dbraw/zinc/15/78/60/411157860.db2.gz YCHXKJLCCPYZBX-BBBLOLIVSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@@H]1NCC1(C)C ZINC000309514053 411157907 /nfs/dbraw/zinc/15/79/07/411157907.db2.gz QRKILVSZZDKQIM-IUCAKERBSA-N 0 3 214.309 0.214 20 0 BCADHN C[C@@H]1CCN(C(=O)N[C@H](CN)C(F)(F)F)C1 ZINC000655916404 411158085 /nfs/dbraw/zinc/15/80/85/411158085.db2.gz XJNQQTDKVQXBQN-RNFRBKRXSA-N 0 3 239.241 0.927 20 0 BCADHN CO[C@@H](C)CNC(=O)N[C@@H](CN)C(F)(F)F ZINC000655929349 411158842 /nfs/dbraw/zinc/15/88/42/411158842.db2.gz SQZXVUNPWLYPFQ-WDSKDSINSA-N 0 3 243.229 0.210 20 0 BCADHN CC1CN(C(=O)N[C@@H](CN)C(F)(F)F)C1 ZINC000655929456 411159083 /nfs/dbraw/zinc/15/90/83/411159083.db2.gz SKCSUDNGLOTLJS-LURJTMIESA-N 0 3 225.214 0.537 20 0 BCADHN C[C@@H](CF)NC(=O)N[C@H](CN)C(F)(F)F ZINC000655930305 411159310 /nfs/dbraw/zinc/15/93/10/411159310.db2.gz MSRXNWPQVUYUGF-CRCLSJGQSA-N 0 3 231.193 0.533 20 0 BCADHN Cn1nncc1CNCCC1(CO)CCC1 ZINC000652036844 411086440 /nfs/dbraw/zinc/08/64/40/411086440.db2.gz YAVSSZDELNQRAL-UHFFFAOYSA-N 0 3 224.308 0.457 20 0 BCADHN COc1cccc(S(=O)(=O)[N-]CC[NH3+])c1F ZINC000655949033 411161361 /nfs/dbraw/zinc/16/13/61/411161361.db2.gz KSFKREUGLYPPRK-UHFFFAOYSA-N 0 3 248.279 0.071 20 0 BCADHN O=C1NCC[C@@H]1N1CCC[C@@](O)(C2CC2)C1 ZINC000661627531 411100947 /nfs/dbraw/zinc/10/09/47/411100947.db2.gz JBIKAQATXCGLGV-JQWIXIFHSA-N 0 3 224.304 0.112 20 0 BCADHN C[C@@H](CCO)N(C)Cc1ccc(CO)o1 ZINC000652048778 411101177 /nfs/dbraw/zinc/10/11/77/411101177.db2.gz ULYRRZVIMVYLLD-VIFPVBQESA-N 0 3 213.277 0.975 20 0 BCADHN Cn1cc(CCCN2CCC(O)CC2)cn1 ZINC000047660203 411162144 /nfs/dbraw/zinc/16/21/44/411162144.db2.gz XJLNUWSINXLGGP-UHFFFAOYSA-N 0 3 223.320 0.809 20 0 BCADHN Cc1cnccc1NC(=O)CN1CCNCC1 ZINC000111043626 411125031 /nfs/dbraw/zinc/12/50/31/411125031.db2.gz UOQASVFRAMNRSB-UHFFFAOYSA-N 0 3 234.303 0.234 20 0 BCADHN CCO[C@H](C)C(=O)N1CCNCC1(C)C ZINC000309526030 411162758 /nfs/dbraw/zinc/16/27/58/411162758.db2.gz ATHPWXDADWZXIJ-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652777587 411171900 /nfs/dbraw/zinc/17/19/00/411171900.db2.gz XXBSYRIHYBVWIZ-MXWKQRLJSA-N 0 3 226.320 0.764 20 0 BCADHN CN(C)C(=O)CNC1CC(CF)(CF)C1 ZINC000657957889 411180723 /nfs/dbraw/zinc/18/07/23/411180723.db2.gz WOTFMHRWUDDDQT-UHFFFAOYSA-N 0 3 220.263 0.752 20 0 BCADHN COc1cc(CN[C@@H]2CCCNC(=O)C2)ccn1 ZINC000111826948 411181627 /nfs/dbraw/zinc/18/16/27/411181627.db2.gz QCVVQDSOFRJZLX-LLVKDONJSA-N 0 3 249.314 0.849 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NCC[C@]1(O)CCOC1 ZINC000652264141 411182375 /nfs/dbraw/zinc/18/23/75/411182375.db2.gz CFPXMXMGRFWQDU-CABZTGNLSA-N 0 3 239.319 0.910 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@H]2COC[C@]2(C)C1 ZINC000661697417 411184318 /nfs/dbraw/zinc/18/43/18/411184318.db2.gz COMHPDBQVBDUTG-GVXVVHGQSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1ccncn1 ZINC000652260836 411184670 /nfs/dbraw/zinc/18/46/70/411184670.db2.gz TWRLZDIANNJTLC-XHNCKOQMSA-N 0 3 220.276 0.391 20 0 BCADHN Cc1cc([C@H](C)N[C@H]2C[C@@H](C(N)=O)C2)nn1C ZINC000652260643 411184734 /nfs/dbraw/zinc/18/47/34/411184734.db2.gz POEFAIRTHFSXJL-LPEHRKFASA-N 0 3 236.319 0.643 20 0 BCADHN COc1c(C)ncnc1N(C)CCN(C)C ZINC000656135283 411184892 /nfs/dbraw/zinc/18/48/92/411184892.db2.gz WOUFSPZMECQGPS-UHFFFAOYSA-N 0 3 224.308 0.791 20 0 BCADHN CC[C@@H](C)OCC(=O)N[C@H](CN)C(F)(F)F ZINC000655515685 411186138 /nfs/dbraw/zinc/18/61/38/411186138.db2.gz OYYLZRUTMINMIP-RNFRBKRXSA-N 0 3 242.241 0.807 20 0 BCADHN C[C@]12COC[C@H]1CN(Cc1cn[nH]c1)C2 ZINC000661698346 411186615 /nfs/dbraw/zinc/18/66/15/411186615.db2.gz AXOWHERTPXDNRT-MNOVXSKESA-N 0 3 207.277 0.878 20 0 BCADHN CN(C)C1CN(c2nccc3c(=O)[nH]cnc32)C1 ZINC000656151389 411187432 /nfs/dbraw/zinc/18/74/32/411187432.db2.gz HZYXXDMCUKJOGA-UHFFFAOYSA-N 0 3 245.286 0.481 20 0 BCADHN CCN1C[C@@H](CN[C@H]2CCn3ccnc32)CC1=O ZINC000652300835 411192094 /nfs/dbraw/zinc/19/20/94/411192094.db2.gz MKZQOOAPUNSTJM-MNOVXSKESA-N 0 3 248.330 0.786 20 0 BCADHN C[C@]12COC[C@H]1CN(C[C@@H](O)C(F)(F)F)C2 ZINC000661700727 411192510 /nfs/dbraw/zinc/19/25/10/411192510.db2.gz GSUJXGROLJSBKI-HLTSFMKQSA-N 0 3 239.237 0.878 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H](C)[C@@](C)(CO)C1 ZINC000620455832 411192755 /nfs/dbraw/zinc/19/27/55/411192755.db2.gz PMWSTZAWUZZOIO-WCQYABFASA-N 0 3 242.363 0.805 20 0 BCADHN Cn1cnc(N2CCN3CCC2CC3)cc1=O ZINC000656176058 411192771 /nfs/dbraw/zinc/19/27/71/411192771.db2.gz UQZMDZLXUYKMQN-UHFFFAOYSA-N 0 3 234.303 0.065 20 0 BCADHN COCC[C@H](CO)N[C@@H]1CCCn2nccc21 ZINC000658002570 411195050 /nfs/dbraw/zinc/19/50/50/411195050.db2.gz WBSBFUAZMGPVFM-GHMZBOCLSA-N 0 3 239.319 0.705 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1OC ZINC000129325586 411244692 /nfs/dbraw/zinc/24/46/92/411244692.db2.gz ZBPJUZRDAFKWKA-OPRDCNLKSA-N 0 3 214.309 0.798 20 0 BCADHN CC[C@H](C)NC(=O)CN1C[C@H]2COC[C@]2(C)C1 ZINC000661701091 411196777 /nfs/dbraw/zinc/19/67/77/411196777.db2.gz YKLJVGXFFDQORG-GVXVVHGQSA-N 0 3 240.347 0.869 20 0 BCADHN CN(C)CCN[C@H]1CCCn2nccc21 ZINC000658015108 411197603 /nfs/dbraw/zinc/19/76/03/411197603.db2.gz PHDANLMJZAYNNO-JTQLQIEISA-N 0 3 208.309 0.869 20 0 BCADHN NC(=O)[C@@]1(NCCC[C@@H]2CCOC2)CCOC1 ZINC000653847403 411198724 /nfs/dbraw/zinc/19/87/24/411198724.db2.gz VNFYQDFCMURBJZ-ZYHUDNBSSA-N 0 3 242.319 0.037 20 0 BCADHN C[C@@H](CNC(=O)N1CC(C)(F)C1)N(C)C ZINC000656196982 411201513 /nfs/dbraw/zinc/20/15/13/411201513.db2.gz RWXRLMCIPJALBH-QMMMGPOBSA-N 0 3 217.288 0.690 20 0 BCADHN Cc1nccc(C(=O)NC2CCN(C)CC2)n1 ZINC000048609141 411206809 /nfs/dbraw/zinc/20/68/09/411206809.db2.gz HTRAPHNEKHSCKY-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN C[C@@]1(CN[C@@H]2CCCn3nccc32)CCC(=O)N1 ZINC000658033580 411208554 /nfs/dbraw/zinc/20/85/54/411208554.db2.gz YTCBNLSEPGQAQI-MFKMUULPSA-N 0 3 248.330 0.976 20 0 BCADHN CC[C@@H](N[C@@H]1COC2(CCC2)C1)C(=O)NC ZINC000658032694 411210488 /nfs/dbraw/zinc/21/04/88/411210488.db2.gz SXTPQFPIQMHWQG-VHSXEESVSA-N 0 3 226.320 0.812 20 0 BCADHN CN(C)CCc1cn([C@H]2CCC[C@@H]2O)nn1 ZINC000656434292 411246179 /nfs/dbraw/zinc/24/61/79/411246179.db2.gz VCURUHJGVXTDBQ-QWRGUYRKSA-N 0 3 224.308 0.468 20 0 BCADHN COCCOCCN(C[C@@H](C)O)C1CC1 ZINC000653898969 411214252 /nfs/dbraw/zinc/21/42/52/411214252.db2.gz UQVSUOLMPZXGCA-SNVBAGLBSA-N 0 3 217.309 0.495 20 0 BCADHN CN1CCC[C@H](NC(=O)c2ccc[nH]c2=O)C1 ZINC000048752533 411215211 /nfs/dbraw/zinc/21/52/11/411215211.db2.gz IGRVVNIBYAPJRI-VIFPVBQESA-N 0 3 235.287 0.199 20 0 BCADHN CC[C@@H](NC(=O)C1(N)CC1)[C@H]1CCCCO1 ZINC000656231264 411215695 /nfs/dbraw/zinc/21/56/95/411215695.db2.gz DOMQLUBOQXXRQQ-NXEZZACHSA-N 0 3 226.320 0.942 20 0 BCADHN NC(=O)[C@H]1C[C@@H](N[C@@H]2CCCn3nccc32)C1 ZINC000658048481 411217999 /nfs/dbraw/zinc/21/79/99/411217999.db2.gz YERVIPYPQIGWLK-KXUCPTDWSA-N 0 3 234.303 0.572 20 0 BCADHN COC[C@@H](Cc1ccccc1)N[C@H]1CCNC1=O ZINC000658056075 411222345 /nfs/dbraw/zinc/22/23/45/411222345.db2.gz VYTOBZPJHIVWTR-OLZOCXBDSA-N 0 3 248.326 0.722 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCN(c2nncn2C)CC1 ZINC000656273065 411223883 /nfs/dbraw/zinc/22/38/83/411223883.db2.gz QPIQPWZHELWTHP-MNOVXSKESA-N 0 3 235.335 0.593 20 0 BCADHN CCNC(=O)CN[C@@H]1CC[C@@H](C)SC1 ZINC000655682215 411224076 /nfs/dbraw/zinc/22/40/76/411224076.db2.gz BOKULKPSXNKUTQ-RKDXNWHRSA-N 0 3 216.350 0.996 20 0 BCADHN CN(Cc1cn[nH]c1)C(=O)CNC1CC1 ZINC000069763497 411224525 /nfs/dbraw/zinc/22/45/25/411224525.db2.gz UOVKGZJQVMUSHL-UHFFFAOYSA-N 0 3 208.265 0.120 20 0 BCADHN COC[C@H](CCN[C@@H]1CCn2ccnc21)OC ZINC000658084251 411234389 /nfs/dbraw/zinc/23/43/89/411234389.db2.gz XOLYSYGZPVLLQT-WDEREUQCSA-N 0 3 239.319 0.969 20 0 BCADHN COC[C@H](CCN[C@H]1CCn2ccnc21)OC ZINC000658084250 411234767 /nfs/dbraw/zinc/23/47/67/411234767.db2.gz XOLYSYGZPVLLQT-QWRGUYRKSA-N 0 3 239.319 0.969 20 0 BCADHN CC(C)[C@@H](CO)CNC[C@@H](O)C(F)(F)F ZINC000394038040 411235204 /nfs/dbraw/zinc/23/52/04/411235204.db2.gz NNLMQHIZAKPTAF-HTQZYQBOSA-N 0 3 229.242 0.764 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CCN1C(=O)CN(C)C1=O ZINC000660000171 411165174 /nfs/dbraw/zinc/16/51/74/411165174.db2.gz PHEKBGJVMOPIIB-NXEZZACHSA-N 0 3 239.319 0.753 20 0 BCADHN CC[C@]1(C)COCCN1CCc1c[nH]nn1 ZINC000660147538 411263097 /nfs/dbraw/zinc/26/30/97/411263097.db2.gz CVAFGRSJMFTBMU-LLVKDONJSA-N 0 3 224.308 0.848 20 0 BCADHN FC(F)[C@@H]1CCN(CCc2cn[nH]n2)C1 ZINC000660148090 411263718 /nfs/dbraw/zinc/26/37/18/411263718.db2.gz SVZZFCRCPNPTBN-SSDOTTSWSA-N 0 3 216.235 0.934 20 0 BCADHN O=S(=O)(NCCNC1CC1)c1ccccc1 ZINC000054267203 411263684 /nfs/dbraw/zinc/26/36/84/411263684.db2.gz GTXQNCOYXSXAIN-UHFFFAOYSA-N 0 3 240.328 0.717 20 0 BCADHN O=C1CCCN1[C@@H]1CCN(CCc2cn[nH]n2)C1 ZINC000660147989 411264352 /nfs/dbraw/zinc/26/43/52/411264352.db2.gz KECIORWCSZTPDQ-LLVKDONJSA-N 0 3 249.318 0.044 20 0 BCADHN O=C1CCCN1[C@@H]1CCN(CCc2c[nH]nn2)C1 ZINC000660147989 411264356 /nfs/dbraw/zinc/26/43/56/411264356.db2.gz KECIORWCSZTPDQ-LLVKDONJSA-N 0 3 249.318 0.044 20 0 BCADHN CN1CCC[C@@H](N[C@@H]2COC3(CCC3)C2)C1=O ZINC000656683571 411327140 /nfs/dbraw/zinc/32/71/40/411327140.db2.gz IZDRQAVVXSFFMT-WDEREUQCSA-N 0 3 238.331 0.908 20 0 BCADHN O=C1NCCCC[C@H]1N[C@H]1COC2(CCC2)C1 ZINC000656683548 411327156 /nfs/dbraw/zinc/32/71/56/411327156.db2.gz IKRBPKICYJFPQO-GHMZBOCLSA-N 0 3 238.331 0.956 20 0 BCADHN Nc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cn1 ZINC000050708663 411264596 /nfs/dbraw/zinc/26/45/96/411264596.db2.gz NJHKZXXTVKONPD-JTQLQIEISA-N 0 3 246.314 0.630 20 0 BCADHN CC(C)[C@H](N)c1cn(-c2ccnn2C)nn1 ZINC000656456671 411265335 /nfs/dbraw/zinc/26/53/35/411265335.db2.gz ICWTWAXRBZCHNE-JTQLQIEISA-N 0 3 220.280 0.657 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CCCc2c1ccc(=O)n2C ZINC000653453174 411265589 /nfs/dbraw/zinc/26/55/89/411265589.db2.gz ATBPTIIWQAPYSW-WPRPVWTQSA-N 0 3 249.314 0.226 20 0 BCADHN CN(C)C[C@@H](O)CN[C@@H]1CCCn2ccnc21 ZINC000655712993 411267094 /nfs/dbraw/zinc/26/70/94/411267094.db2.gz SXQDJFFNIYDXHP-WDEREUQCSA-N 0 3 238.335 0.230 20 0 BCADHN CN(C)C[C@@H](O)CN[C@H]1CCCn2ccnc21 ZINC000655712991 411267299 /nfs/dbraw/zinc/26/72/99/411267299.db2.gz SXQDJFFNIYDXHP-QWRGUYRKSA-N 0 3 238.335 0.230 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C1(CF)CCC1 ZINC000515654339 411267743 /nfs/dbraw/zinc/26/77/43/411267743.db2.gz NYNMKBFEIZKFCL-NSHDSACASA-N 0 3 246.326 0.555 20 0 BCADHN C[C@@H](N[C@@H](C)CS(C)(=O)=O)C1(CO)CC1 ZINC000658153894 411267725 /nfs/dbraw/zinc/26/77/25/411267725.db2.gz JKWSQQRTZMUBII-DTWKUNHWSA-N 0 3 235.349 0.170 20 0 BCADHN C[C@@H]1SCC[C@@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000309838966 411267810 /nfs/dbraw/zinc/26/78/10/411267810.db2.gz NLYISGFSYQVBJX-AEJSXWLSSA-N 0 3 244.360 0.375 20 0 BCADHN O=C(CN1CCNCC1)N1Cc2ccccc2C1 ZINC000050912465 411268179 /nfs/dbraw/zinc/26/81/79/411268179.db2.gz MAAUKFMMWKAXAX-UHFFFAOYSA-N 0 3 245.326 0.434 20 0 BCADHN CCN(C(=O)[C@H]1CCN1)c1cnn(C)c1 ZINC000655521809 411269590 /nfs/dbraw/zinc/26/95/90/411269590.db2.gz KEKHTTCMOTYURS-SECBINFHSA-N 0 3 208.265 0.135 20 0 BCADHN CC(C)[C@H](N)c1cn(-c2cnnn2C)nn1 ZINC000656462921 411270318 /nfs/dbraw/zinc/27/03/18/411270318.db2.gz KBAHRJKLAZIVDA-VIFPVBQESA-N 0 3 221.268 0.052 20 0 BCADHN C[C@@H](NC(=O)CN1CCNCC1)C(C)(C)C ZINC000114968476 411270433 /nfs/dbraw/zinc/27/04/33/411270433.db2.gz DRSIKLVVTHKMEF-SNVBAGLBSA-N 0 3 227.352 0.442 20 0 BCADHN Cn1nncc1-n1cc(CNC2CCCC2)nn1 ZINC000656463065 411270453 /nfs/dbraw/zinc/27/04/53/411270453.db2.gz LXAOGOJUNXYMST-UHFFFAOYSA-N 0 3 247.306 0.428 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H](C)COCC1CC1 ZINC000652560107 411271542 /nfs/dbraw/zinc/27/15/42/411271542.db2.gz BCJGBPLCJWHSIV-ONGXEEELSA-N 0 3 228.336 0.901 20 0 BCADHN CN(Cc1ncc[nH]1)C(=O)CNC1CC1 ZINC000070645725 411271560 /nfs/dbraw/zinc/27/15/60/411271560.db2.gz NHHDBJGORPKRJV-UHFFFAOYSA-N 0 3 208.265 0.120 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)Cc1ncc[nH]1 ZINC000070645698 411271935 /nfs/dbraw/zinc/27/19/35/411271935.db2.gz FQEXMYLJGXKDRJ-VIFPVBQESA-N 0 3 224.308 0.742 20 0 BCADHN C[C@H]1[C@H](C)N(CCc2cn[nH]n2)CCN1C ZINC000660167464 411274899 /nfs/dbraw/zinc/27/48/99/411274899.db2.gz FCGZMQPGYVAEGU-UWVGGRQHSA-N 0 3 223.324 0.372 20 0 BCADHN CNc1ccc(NC(=O)CNC2CC2)cn1 ZINC000515460855 411275273 /nfs/dbraw/zinc/27/52/73/411275273.db2.gz MQWVRVZEKKFRJE-UHFFFAOYSA-N 0 3 220.276 0.814 20 0 BCADHN NS(=O)(=O)[C@H]1CCCN(CC2CC=CC2)C1 ZINC000660169980 411278644 /nfs/dbraw/zinc/27/86/44/411278644.db2.gz NFNRTHMALOYSJH-NSHDSACASA-N 0 3 244.360 0.706 20 0 BCADHN Cc1cc(-n2cc(CCN(C)C)nn2)n(C)n1 ZINC000656465922 411278765 /nfs/dbraw/zinc/27/87/65/411278765.db2.gz NDEOLVCHRFNJRI-UHFFFAOYSA-N 0 3 234.307 0.413 20 0 BCADHN CCC1(Cn2cc(CCN(C)C)nn2)COC1 ZINC000656467551 411279172 /nfs/dbraw/zinc/27/91/72/411279172.db2.gz QEQNYKOVDWWCBR-UHFFFAOYSA-N 0 3 238.335 0.809 20 0 BCADHN CCN(CC)[C@H](C)CN=c1nc[nH]n1C ZINC000653462744 411280188 /nfs/dbraw/zinc/28/01/88/411280188.db2.gz KMEJJWIBHQXEOL-SECBINFHSA-N 0 3 211.313 0.379 20 0 BCADHN Cc1nnc(NCCCN2CCC(O)CC2)o1 ZINC000656470606 411282125 /nfs/dbraw/zinc/28/21/25/411282125.db2.gz VIGSZJGDCVKZPG-UHFFFAOYSA-N 0 3 240.307 0.637 20 0 BCADHN CN1CCN(C[C@@H]2CNCCO2)CC1(C)C ZINC000070650495 411284205 /nfs/dbraw/zinc/28/42/05/411284205.db2.gz GHYJYMOKKWCXLR-NSHDSACASA-N 0 3 227.352 0.001 20 0 BCADHN CC[C@@H](O)CN[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000658189841 411285846 /nfs/dbraw/zinc/28/58/46/411285846.db2.gz WDXZHIFGQRKIQH-OUAUKWLOSA-N 0 3 249.376 0.703 20 0 BCADHN Cc1cncc(CCN2C[C@@H](C)[C@H](C(N)=O)C2)n1 ZINC000649607648 411290766 /nfs/dbraw/zinc/29/07/66/411290766.db2.gz ZKSUZWWKQLMHNN-BXKDBHETSA-N 0 3 248.330 0.381 20 0 BCADHN C/C=C/C[C@@H](CO)NCc1cncn1C ZINC000185823085 411291663 /nfs/dbraw/zinc/29/16/63/411291663.db2.gz PWDJLMIJPASDJM-FSIBCCDJSA-N 0 3 209.293 0.837 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)Nc1nncs1 ZINC000623062537 411293266 /nfs/dbraw/zinc/29/32/66/411293266.db2.gz SGYVBFLSNOBJEN-WDSKDSINSA-N 0 3 245.283 0.360 20 0 BCADHN C[C@H]1CSCCN1C(=O)[C@H]1NCC1(C)C ZINC000309851053 411295270 /nfs/dbraw/zinc/29/52/70/411295270.db2.gz XTAFZNMTLNROMD-DTWKUNHWSA-N 0 3 228.361 0.948 20 0 BCADHN C[C@@H]1CSCCN1C(=O)[C@H]1NCC1(C)C ZINC000309851064 411295567 /nfs/dbraw/zinc/29/55/67/411295567.db2.gz XTAFZNMTLNROMD-RKDXNWHRSA-N 0 3 228.361 0.948 20 0 BCADHN NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000656543334 411299155 /nfs/dbraw/zinc/29/91/55/411299155.db2.gz PROJJFMPIZIMLR-GFCCVEGCSA-N 0 3 249.314 0.422 20 0 BCADHN O=C1CC[C@@H](CN2[C@@H]3CC[C@H]2CC(=O)C3)N1 ZINC000070681571 411300841 /nfs/dbraw/zinc/30/08/41/411300841.db2.gz IZZVGDXITAMPDT-LPEHRKFASA-N 0 3 222.288 0.461 20 0 BCADHN CC(C)NCc1nc([C@@H]2CCCN2)no1 ZINC000656561331 411301145 /nfs/dbraw/zinc/30/11/45/411301145.db2.gz SANZWYIHUTXYHE-QMMMGPOBSA-N 0 3 210.281 0.992 20 0 BCADHN CCC[C@H](O)CNC(=O)C1CCN(C)CC1 ZINC000355108582 411301555 /nfs/dbraw/zinc/30/15/55/411301555.db2.gz KLXLJLOPRPYUOO-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN O=C1C[C@@H](CN2CCC[C@H](OC(F)F)C2)CN1 ZINC000660236422 411301949 /nfs/dbraw/zinc/30/19/49/411301949.db2.gz OSCIPRPZLHKHRA-BDAKNGLRSA-N 0 3 248.273 0.826 20 0 BCADHN CC[C@@H]1CO[C@@H](C)CN1C[C@H]1CNC(=O)C1 ZINC000659841808 411330852 /nfs/dbraw/zinc/33/08/52/411330852.db2.gz UYOUVAPZYRJNOH-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN CN(Cc1ccon1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000446258728 411305261 /nfs/dbraw/zinc/30/52/61/411305261.db2.gz OURHAUHINGIHOQ-IONNQARKSA-N 0 3 227.239 0.333 20 0 BCADHN Cc1cn2nc(N[C@H](C)CN(C)C)sc2n1 ZINC000336670280 411331104 /nfs/dbraw/zinc/33/11/04/411331104.db2.gz GUPVJKQQOAYBBP-SSDOTTSWSA-N 0 3 239.348 1.461 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)Cc1nc(C)no1 ZINC000655527365 411307254 /nfs/dbraw/zinc/30/72/54/411307254.db2.gz PHWLKKVARYAGRA-XVKPBYJWSA-N 0 3 240.307 0.710 20 0 BCADHN CCN(C(=O)CNCCOC)[C@H]1CCCOC1 ZINC000402689209 411308480 /nfs/dbraw/zinc/30/84/80/411308480.db2.gz LAXIVFYIYZBSIU-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CCO[C@H](C)c1nccn1C[C@@H]1CNCCO1 ZINC000656611282 411309679 /nfs/dbraw/zinc/30/96/79/411309679.db2.gz FEQZWOMUCHSTPD-MNOVXSKESA-N 0 3 239.319 0.969 20 0 BCADHN c1ccc2c(c1)nnn2C[C@@H]1CNCCO1 ZINC000656611196 411309825 /nfs/dbraw/zinc/30/98/25/411309825.db2.gz AJLNYRLBHVTOBA-VIFPVBQESA-N 0 3 218.260 0.420 20 0 BCADHN CCc1csc(=O)n1C[C@@H]1CNCCO1 ZINC000656612429 411310441 /nfs/dbraw/zinc/31/04/41/411310441.db2.gz YMMMDPUNEPDHGM-VIFPVBQESA-N 0 3 228.317 0.461 20 0 BCADHN COc1cc(CN2CCCN(C)CC2)on1 ZINC000659828912 411311104 /nfs/dbraw/zinc/31/11/04/411311104.db2.gz JWUYWBDKTHXWQL-UHFFFAOYSA-N 0 3 225.292 0.821 20 0 BCADHN CO[C@@H](CN1CCN(CCO)CC1)C1CCC1 ZINC000659828314 411311544 /nfs/dbraw/zinc/31/15/44/411311544.db2.gz GAOHECOFPMNKLW-ZDUSSCGKSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@@H](CO)CC1CC1 ZINC000658245976 411311538 /nfs/dbraw/zinc/31/15/38/411311538.db2.gz BFTVLOUAWLKUPR-KOLCDFICSA-N 0 3 249.376 0.418 20 0 BCADHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000658410303 411319357 /nfs/dbraw/zinc/31/93/57/411319357.db2.gz IQSGYXMELLDOOJ-ZETCQYMHSA-N 0 3 247.295 0.107 20 0 BCADHN Cc1cncc(CCN2CC[C@](C)(O)C2)n1 ZINC000402931233 411322793 /nfs/dbraw/zinc/32/27/93/411322793.db2.gz WFEKXADIPDCWOD-LBPRGKRZSA-N 0 3 221.304 0.784 20 0 BCADHN CC[C@@H](N[C@H](COC)C1CCOCC1)C(N)=O ZINC000656677725 411323239 /nfs/dbraw/zinc/32/32/39/411323239.db2.gz HTOUCKQMCWICRD-GHMZBOCLSA-N 0 3 244.335 0.282 20 0 BCADHN CNC(=O)CN1CCCc2cccc(CN)c21 ZINC000629559043 411324438 /nfs/dbraw/zinc/32/44/38/411324438.db2.gz CARWXSCNIXMCER-UHFFFAOYSA-N 0 3 233.315 0.644 20 0 BCADHN CC(C)(O)C1CN(C[C@]2(O)CCCOC2)C1 ZINC000656699984 411324893 /nfs/dbraw/zinc/32/48/93/411324893.db2.gz OWIJZDLIVQHGQX-GFCCVEGCSA-N 0 3 229.320 0.231 20 0 BCADHN CN(C(=O)CN1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000661966727 411332870 /nfs/dbraw/zinc/33/28/70/411332870.db2.gz AAYIHQIDQAMPCY-NXEZZACHSA-N 0 3 208.305 0.949 20 0 BCADHN CC1(C(N)=O)CN(CC2(O)CCSCC2)C1 ZINC000656700956 411325529 /nfs/dbraw/zinc/32/55/29/411325529.db2.gz XJNVRPVISNFRNO-UHFFFAOYSA-N 0 3 244.360 0.052 20 0 BCADHN O[C@@]1(CN2CC3(C2)CCCOC3)CCCOC1 ZINC000656700798 411325843 /nfs/dbraw/zinc/32/58/43/411325843.db2.gz UOWWONQQEQAEQV-CYBMUJFWSA-N 0 3 241.331 0.640 20 0 BCADHN COCCn1cc(CNC2CCCC2)nn1 ZINC000656444234 411252201 /nfs/dbraw/zinc/25/22/01/411252201.db2.gz NLHIWMRMNFNRFQ-UHFFFAOYSA-N 0 3 224.308 0.957 20 0 BCADHN CCNC(=O)Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000656443987 411252584 /nfs/dbraw/zinc/25/25/84/411252584.db2.gz IGIBTRDQNWVTQI-SNVBAGLBSA-N 0 3 239.323 0.460 20 0 BCADHN CC(=O)N(C)c1ccccc1NC(=O)[C@H]1CCN1 ZINC000336596562 411253846 /nfs/dbraw/zinc/25/38/46/411253846.db2.gz GQGGFFAUSOMDCO-LLVKDONJSA-N 0 3 247.298 0.970 20 0 BCADHN NCc1cn(C[C@@H]2COc3ccccc3O2)nn1 ZINC000050224943 411254080 /nfs/dbraw/zinc/25/40/80/411254080.db2.gz XNNBOZBNMOIJMC-SNVBAGLBSA-N 0 3 246.270 0.577 20 0 BCADHN O=C1NCCCC[C@@H]1N[C@@H]1COC2(CCC2)C1 ZINC000656683550 411326631 /nfs/dbraw/zinc/32/66/31/411326631.db2.gz IKRBPKICYJFPQO-QWRGUYRKSA-N 0 3 238.331 0.956 20 0 BCADHN CN(C)CCc1cn(Cc2cscn2)nn1 ZINC000656446745 411254711 /nfs/dbraw/zinc/25/47/11/411254711.db2.gz ZWDHZSRMZMZETO-UHFFFAOYSA-N 0 3 237.332 0.887 20 0 BCADHN CN(C)CCc1cn(Cc2cnn(C)c2)nn1 ZINC000656446121 411254860 /nfs/dbraw/zinc/25/48/60/411254860.db2.gz HPMSKBJTRFPSBA-UHFFFAOYSA-N 0 3 234.307 0.164 20 0 BCADHN CCN(CC)C(=O)C[C@H](C)NC/C=C\CO ZINC000658132435 411255956 /nfs/dbraw/zinc/25/59/56/411255956.db2.gz LPTGPARTKFHBNR-ZADCQDASSA-N 0 3 228.336 0.772 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC/C=C\CO ZINC000658132836 411256155 /nfs/dbraw/zinc/25/61/55/411256155.db2.gz IZMAFPIDZBGBMH-XRVBUDJMSA-N 0 3 209.293 0.928 20 0 BCADHN NS(=O)(=O)C1CCN(CCC2CCC2)CC1 ZINC000660140890 411256512 /nfs/dbraw/zinc/25/65/12/411256512.db2.gz PLDIYNLZDHXYGG-UHFFFAOYSA-N 0 3 246.376 0.930 20 0 BCADHN Cn1ncc2c1CCC[C@H]2NC/C=C/CO ZINC000658133457 411258240 /nfs/dbraw/zinc/25/82/40/411258240.db2.gz MDQFVIWKDNLJMD-KXMPLOMGSA-N 0 3 221.304 0.936 20 0 BCADHN Cn1nncc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000662033237 411350289 /nfs/dbraw/zinc/35/02/89/411350289.db2.gz JCGGJFVUZCSRPA-ZJUUUORDSA-N 0 3 222.292 0.283 20 0 BCADHN CC(C)N(C)CC(=O)NCCC1(CO)CCC1 ZINC000652935423 411350465 /nfs/dbraw/zinc/35/04/65/411350465.db2.gz MNJBIAACONZEEW-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN c1ncn(CCN2CC[C@H]3COC[C@H]3C2)n1 ZINC000662035600 411350502 /nfs/dbraw/zinc/35/05/02/411350502.db2.gz PWTFAZLDBVXMKU-WDEREUQCSA-N 0 3 222.292 0.246 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@H]2COC[C@@H]2C1 ZINC000662038231 411352794 /nfs/dbraw/zinc/35/27/94/411352794.db2.gz BMQFBEQSCHZMNF-SRVKXCTJSA-N 0 3 240.347 0.869 20 0 BCADHN N[C@@H]1CN(S(=O)(=O)c2ccco2)CC[C@H]1F ZINC000658408034 411353519 /nfs/dbraw/zinc/35/35/19/411353519.db2.gz JMPOQBMPIIHRPC-HTQZYQBOSA-N 0 3 248.279 0.339 20 0 BCADHN CCN1CC[C@@H](N2CCCN(CC)CC2)C1=O ZINC000659871964 411355705 /nfs/dbraw/zinc/35/57/05/411355705.db2.gz YENHTSXLNCTYCX-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN CC(C)N(C)CC(=O)N(C)[C@@H](C)CCO ZINC000652963193 411373134 /nfs/dbraw/zinc/37/31/34/411373134.db2.gz AEUCTARWNDNQQB-JTQLQIEISA-N 0 3 216.325 0.556 20 0 BCADHN CC(C)NCC(=O)N[C@H](C)COCC1CC1 ZINC000659328906 411358686 /nfs/dbraw/zinc/35/86/86/411358686.db2.gz QYORLADYHAGKHP-SNVBAGLBSA-N 0 3 228.336 0.916 20 0 BCADHN C(CN1CCC2(COC2)C1)OC[C@@H]1CCCO1 ZINC000662076104 411358730 /nfs/dbraw/zinc/35/87/30/411358730.db2.gz SOKDGELRKGTTAG-LBPRGKRZSA-N 0 3 241.331 0.904 20 0 BCADHN COCCN(CCO)C[C@@H](OC)C1CCC1 ZINC000659875205 411359060 /nfs/dbraw/zinc/35/90/60/411359060.db2.gz WQLRBSONBPNNNF-GFCCVEGCSA-N 0 3 231.336 0.742 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@@H](CC)OC[C@@H]1C ZINC000403758361 411359519 /nfs/dbraw/zinc/35/95/19/411359519.db2.gz NUVIULMKYOOGRW-AEJSXWLSSA-N 0 3 214.309 0.750 20 0 BCADHN CC(C)(N)C(=O)N1Cc2ccc(N)cc2C1 ZINC000658933152 411362603 /nfs/dbraw/zinc/36/26/03/411362603.db2.gz YFVDACMBLFLTIP-UHFFFAOYSA-N 0 3 219.288 0.848 20 0 BCADHN Cc1cnn(C)c1NC(=O)[C@@H]1NCC1(C)C ZINC000659336896 411365015 /nfs/dbraw/zinc/36/50/15/411365015.db2.gz PNJFPXXNEXLNEV-QMMMGPOBSA-N 0 3 222.292 0.665 20 0 BCADHN CC[C@H]1COC(C)(C)CN1C[C@@H](O)COC ZINC000403947367 411368263 /nfs/dbraw/zinc/36/82/63/411368263.db2.gz KRBMJUBDTOMFOX-WDEREUQCSA-N 0 3 231.336 0.883 20 0 BCADHN CCN(CC)CC(=O)N(C)[C@@H](C)CCO ZINC000652960893 411371475 /nfs/dbraw/zinc/37/14/75/411371475.db2.gz GGLKACUEUMEJNA-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](CO)CCF ZINC000652915060 411333755 /nfs/dbraw/zinc/33/37/55/411333755.db2.gz DEPZFRODAQWAFL-GMTAPVOTSA-N 0 3 246.326 0.696 20 0 BCADHN COC[C@@H](O)CNCc1c(C2CC2)cnn1C ZINC000656709703 411336259 /nfs/dbraw/zinc/33/62/59/411336259.db2.gz DFTIOERFAZTWLA-JTQLQIEISA-N 0 3 239.319 0.394 20 0 BCADHN CO[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1)C1CCC1 ZINC000659314235 411339471 /nfs/dbraw/zinc/33/94/71/411339471.db2.gz RARJYZIHCVRJPO-DCAQKATOSA-N 0 3 244.310 0.618 20 0 BCADHN CCN(C[C@H]1CCOC1)[C@@H]1CCN(CC)C1=O ZINC000659845593 411340094 /nfs/dbraw/zinc/34/00/94/411340094.db2.gz KHHALHPTYVYMIR-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1csc(CCNC(=O)[C@@H](C)N)n1 ZINC000063134965 411343158 /nfs/dbraw/zinc/34/31/58/411343158.db2.gz WVUKFAKINFTRRI-SSDOTTSWSA-N 0 3 213.306 0.457 20 0 BCADHN CC1(C)[C@H](O)CCN1CC(=O)N1CCCC1 ZINC000335624570 168007070 /nfs/dbraw/zinc/00/70/70/168007070.db2.gz WKECSNBBSFBCDQ-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN CC1(CN2CC[C@@H](NS(C)(=O)=O)C2)CCC1 ZINC000334963127 168026924 /nfs/dbraw/zinc/02/69/24/168026924.db2.gz GKTKAZLQGKYBQS-SNVBAGLBSA-N 0 3 246.376 0.800 20 0 BCADHN NCc1cccc(NC(=O)[C@@H]2CCC(=O)N2)c1 ZINC000063190986 411347903 /nfs/dbraw/zinc/34/79/03/411347903.db2.gz NRZKSPYZUOZEBL-JTQLQIEISA-N 0 3 233.271 0.362 20 0 BCADHN c1nc(CN2CC[C@@H]3COC[C@@H]3C2)c[nH]1 ZINC000662029543 411347993 /nfs/dbraw/zinc/34/79/93/411347993.db2.gz AVVDNTOWHXXORD-ZJUUUORDSA-N 0 3 207.277 0.878 20 0 BCADHN c1ncc(CN2CC[C@@H]3COC[C@@H]3C2)[nH]1 ZINC000662029543 411347999 /nfs/dbraw/zinc/34/79/99/411347999.db2.gz AVVDNTOWHXXORD-ZJUUUORDSA-N 0 3 207.277 0.878 20 0 BCADHN c1nc(CN2CC[C@@H]3COC[C@H]3C2)c[nH]1 ZINC000662029540 411348721 /nfs/dbraw/zinc/34/87/21/411348721.db2.gz AVVDNTOWHXXORD-NXEZZACHSA-N 0 3 207.277 0.878 20 0 BCADHN c1ncc(CN2CC[C@@H]3COC[C@H]3C2)[nH]1 ZINC000662029540 411348727 /nfs/dbraw/zinc/34/87/27/411348727.db2.gz AVVDNTOWHXXORD-NXEZZACHSA-N 0 3 207.277 0.878 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H](O)[C@H]1C ZINC000654177572 411348875 /nfs/dbraw/zinc/34/88/75/411348875.db2.gz ZKKAZZIROILTQF-DDHJBXDOSA-N 0 3 240.347 0.841 20 0 BCADHN CC1(O)CC(C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000336242692 168065927 /nfs/dbraw/zinc/06/59/27/168065927.db2.gz QDPGLHBDDIPUJL-AKJDGMEZSA-N 0 3 238.331 0.454 20 0 BCADHN CN[C@@H](C)C(=O)NCc1c(C2CC2)cnn1C ZINC000659361119 411377310 /nfs/dbraw/zinc/37/73/10/411377310.db2.gz IMUSEMWBNSDHAP-QMMMGPOBSA-N 0 3 236.319 0.522 20 0 BCADHN CNCC(=O)NCc1c(C2CC2)cnn1C ZINC000659361981 411377780 /nfs/dbraw/zinc/37/77/80/411377780.db2.gz NGIVKVMLLBYSGM-UHFFFAOYSA-N 0 3 222.292 0.133 20 0 BCADHN O[C@]1(CCNCc2cncs2)CCOC1 ZINC000404163354 411378203 /nfs/dbraw/zinc/37/82/03/411378203.db2.gz DVSDWUUANYUUDY-SNVBAGLBSA-N 0 3 228.317 0.774 20 0 BCADHN CC1=CCCN(CCN2CCNC2=O)C1 ZINC000289554549 168098011 /nfs/dbraw/zinc/09/80/11/168098011.db2.gz XKZKZWLWBCJDKM-UHFFFAOYSA-N 0 3 209.293 0.664 20 0 BCADHN Cn1nccc1CNCC[C@]1(O)CCOC1 ZINC000404193391 411382053 /nfs/dbraw/zinc/38/20/53/411382053.db2.gz LRUXTJDCYODENG-NSHDSACASA-N 0 3 225.292 0.051 20 0 BCADHN O[C@]1(CCNCc2cccnc2)CCOC1 ZINC000404181771 411380159 /nfs/dbraw/zinc/38/01/59/411380159.db2.gz HSPPVMDAKRGZPZ-GFCCVEGCSA-N 0 3 222.288 0.713 20 0 BCADHN CC1=CCN(CCNCc2cnnn2C)CC1 ZINC000358167603 168112745 /nfs/dbraw/zinc/11/27/45/168112745.db2.gz NDCJGELDJJLHKP-UHFFFAOYSA-N 0 3 235.335 0.557 20 0 BCADHN C[C@@H](C(=O)N1CCCN(C)CC1)N1CC(C)C1 ZINC000654376326 411381764 /nfs/dbraw/zinc/38/17/64/411381764.db2.gz SVVODRGPDOIOHX-LBPRGKRZSA-N 0 3 239.363 0.491 20 0 BCADHN CC1CC(NC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333429347 168142032 /nfs/dbraw/zinc/14/20/32/168142032.db2.gz UJEZJAQQBWPYOQ-UHFFFAOYSA-N 0 3 239.319 0.169 20 0 BCADHN C[C@@H](NC1CC(C)C1)C(=O)NCCF ZINC000308645532 168148629 /nfs/dbraw/zinc/14/86/29/168148629.db2.gz HJDFCZYVJUNVMT-QJAFJHJLSA-N 0 3 202.273 0.849 20 0 BCADHN CC1CCC(O)(CN2CCOC[C@H](O)C2)CC1 ZINC000332242587 168166483 /nfs/dbraw/zinc/16/64/83/168166483.db2.gz JOXFQQFXLCEMAT-OTTFEQOBSA-N 0 3 243.347 0.621 20 0 BCADHN Cc1n[nH]cc1CNCC[C@@]1(O)CCOC1 ZINC000404193696 411381984 /nfs/dbraw/zinc/38/19/84/411381984.db2.gz LXSZZVWKJRVOHD-LLVKDONJSA-N 0 3 225.292 0.349 20 0 BCADHN CC1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000364237466 168174456 /nfs/dbraw/zinc/17/44/56/168174456.db2.gz OCEMPOASCLLNHV-LLVKDONJSA-N 0 3 214.284 0.947 20 0 BCADHN C[C@H](C(=O)N1CCC(C)CC1)N1CCNCC1 ZINC000019976927 168174705 /nfs/dbraw/zinc/17/47/05/168174705.db2.gz OJEDAFLPOFNNIN-GFCCVEGCSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@@H](C(=O)N1CCC(C)CC1)N1CCNCC1 ZINC000019976930 168175215 /nfs/dbraw/zinc/17/52/15/168175215.db2.gz OJEDAFLPOFNNIN-LBPRGKRZSA-N 0 3 239.363 0.539 20 0 BCADHN CC1CCN(CC(=O)NCc2nc[nH]n2)CC1 ZINC000268568943 168177913 /nfs/dbraw/zinc/17/79/13/168177913.db2.gz QXIQSXISTWRWTG-UHFFFAOYSA-N 0 3 237.307 0.153 20 0 BCADHN CC1CC[NH+](CC(=O)NCc2nnc[n-]2)CC1 ZINC000268568943 168177915 /nfs/dbraw/zinc/17/79/15/168177915.db2.gz QXIQSXISTWRWTG-UHFFFAOYSA-N 0 3 237.307 0.153 20 0 BCADHN CC1CCN(CC(=O)NCc2nnc[nH]2)CC1 ZINC000268568943 168177916 /nfs/dbraw/zinc/17/79/16/168177916.db2.gz QXIQSXISTWRWTG-UHFFFAOYSA-N 0 3 237.307 0.153 20 0 BCADHN C[C@@H](CNC(=O)CN1CCC(C)CC1)N(C)C ZINC000353494873 168178058 /nfs/dbraw/zinc/17/80/58/168178058.db2.gz QZLVCDZJHLSXKP-LBPRGKRZSA-N 0 3 241.379 0.785 20 0 BCADHN CC1CCN(CC(=O)N(C)CCN(C)C)CC1 ZINC000121906494 168178072 /nfs/dbraw/zinc/17/80/72/168178072.db2.gz IHYDFKJIAOZZGD-UHFFFAOYSA-N 0 3 241.379 0.738 20 0 BCADHN CC1CCN(CC(=O)N2CCC(O)CC2)CC1 ZINC000305091928 168178273 /nfs/dbraw/zinc/17/82/73/168178273.db2.gz XGCJFVNGPNFJQZ-UHFFFAOYSA-N 0 3 240.347 0.702 20 0 BCADHN CC1CCN(CCNC(=O)CC(N)=O)CC1 ZINC000330882844 168181853 /nfs/dbraw/zinc/18/18/53/168181853.db2.gz ZOMVKISRDCCVKD-UHFFFAOYSA-N 0 3 227.308 0.760 20 0 BCADHN CC1CCN(CCNC(=O)CC(C)(C)O)CC1 ZINC000330993945 168181935 /nfs/dbraw/zinc/18/19/35/168181935.db2.gz TUVPRCDPWQMBBL-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000304027677 168182345 /nfs/dbraw/zinc/18/23/45/168182345.db2.gz ZQVJJHJHNPROSY-LBPRGKRZSA-N 0 3 242.363 0.851 20 0 BCADHN Cc1cncc(CCNC(=O)[C@H]2NCC2(C)C)n1 ZINC000659373283 411387919 /nfs/dbraw/zinc/38/79/19/411387919.db2.gz QBZGGAKBIRRWAH-LLVKDONJSA-N 0 3 248.330 0.442 20 0 BCADHN C[C@H](CNC(=O)NCCO)N1CCC(C)CC1 ZINC000303222846 168185397 /nfs/dbraw/zinc/18/53/97/168185397.db2.gz LCGFFAACLUUGMA-LLVKDONJSA-N 0 3 243.351 0.398 20 0 BCADHN CC(C)NCC(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000659334674 411388265 /nfs/dbraw/zinc/38/82/65/411388265.db2.gz OSHAOISZTWOFPM-QWRGUYRKSA-N 0 3 226.320 0.764 20 0 BCADHN O=C1C[C@H](CNCc2cc3n(n2)CCCC3)CN1 ZINC000655780552 411388548 /nfs/dbraw/zinc/38/85/48/411388548.db2.gz UJDSORSVNGWNPS-SNVBAGLBSA-N 0 3 248.330 0.445 20 0 BCADHN COCC(=O)N(C)CCN1CCCCC1 ZINC000652987016 411388619 /nfs/dbraw/zinc/38/86/19/411388619.db2.gz QTXFMWZJEUYXDM-UHFFFAOYSA-N 0 3 214.309 0.577 20 0 BCADHN CC(=O)N1CC(N[C@H]2CCOC2(C)C)C1 ZINC000655780764 411389008 /nfs/dbraw/zinc/38/90/08/411389008.db2.gz IABRPBHRVOFOHK-JTQLQIEISA-N 0 3 212.293 0.374 20 0 BCADHN COC[C@@H](O)CNCc1ccncc1C ZINC000129779139 411389028 /nfs/dbraw/zinc/38/90/28/411389028.db2.gz RLPFCENVBLNHQQ-NSHDSACASA-N 0 3 210.277 0.487 20 0 BCADHN CCC(=O)N(C)CCCN1CCN(C)CC1 ZINC000110866962 168211711 /nfs/dbraw/zinc/21/17/11/168211711.db2.gz GBOFHTNZMBNZMO-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN CC1(C)CN(CC(=O)NCCN2CCCC2)C1 ZINC000654407560 411390640 /nfs/dbraw/zinc/39/06/40/411390640.db2.gz MQUIATQMQOFWRR-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H](O)C1 ZINC000652994372 411390668 /nfs/dbraw/zinc/39/06/68/411390668.db2.gz CKITXPJTWYMZBR-SDDRHHMPSA-N 0 3 240.347 0.843 20 0 BCADHN CCC(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000336328712 168226452 /nfs/dbraw/zinc/22/64/52/168226452.db2.gz LYOQPKILGMYTJU-BDAKNGLRSA-N 0 3 216.350 0.900 20 0 BCADHN CC(C)NCC(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000659250418 411382186 /nfs/dbraw/zinc/38/21/86/411382186.db2.gz WOWNMXAPIOUDQC-MNOVXSKESA-N 0 3 228.336 0.916 20 0 BCADHN CCC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000058942976 168230268 /nfs/dbraw/zinc/23/02/68/168230268.db2.gz SFCIYIPQNLJILS-GFCCVEGCSA-N 0 3 241.379 0.786 20 0 BCADHN C[C@H](NCC[C@]1(O)CCOC1)c1cnccn1 ZINC000404227275 411384000 /nfs/dbraw/zinc/38/40/00/411384000.db2.gz MGLSZPVZFCPXJQ-JQWIXIFHSA-N 0 3 237.303 0.669 20 0 BCADHN CCC(C)(C)C(=O)NC[C@H]1CNCCO1 ZINC000054402020 168265839 /nfs/dbraw/zinc/26/58/39/168265839.db2.gz YAOSHKSVQFOMNI-SECBINFHSA-N 0 3 214.309 0.527 20 0 BCADHN CC(C)=CCCN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000659936746 411387286 /nfs/dbraw/zinc/38/72/86/411387286.db2.gz WEFRGSGDMQPMJW-LLVKDONJSA-N 0 3 246.376 0.966 20 0 BCADHN CCC(C)(C)N(C)CCNS(C)(=O)=O ZINC000336669509 168285596 /nfs/dbraw/zinc/28/55/96/168285596.db2.gz FHBADHMOIJXGMK-UHFFFAOYSA-N 0 3 222.354 0.656 20 0 BCADHN CCC(C)(C)[NH2+][C@H](C)C(=O)[N-]c1ncnn1C ZINC000273234434 168303538 /nfs/dbraw/zinc/30/35/38/168303538.db2.gz SERKKBFXFTUAGM-MRVPVSSYSA-N 0 3 239.323 0.920 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H]2CCS(=O)(=O)C2)CO1 ZINC000657294219 411455582 /nfs/dbraw/zinc/45/55/82/411455582.db2.gz IRKGBUKOROGPIZ-OPRDCNLKSA-N 0 3 233.333 0.331 20 0 BCADHN NC(=O)CN1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659824174 411464341 /nfs/dbraw/zinc/46/43/41/411464341.db2.gz ODIFQQXROJTXBX-ZSBIGDGJSA-N 0 3 237.347 0.135 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C2CC2)C1 ZINC000654881114 411459524 /nfs/dbraw/zinc/45/95/24/411459524.db2.gz YWJUBDYKIZWXCF-PWSUYJOCSA-N 0 3 240.347 0.558 20 0 BCADHN CC1(C)CN(C[C@H]2CNC(=O)C2)CCO1 ZINC000659811311 411460513 /nfs/dbraw/zinc/46/05/13/411460513.db2.gz FKIJLSWTSXOSOP-SECBINFHSA-N 0 3 212.293 0.233 20 0 BCADHN CO[C@H]1CCC[C@H]1CNC(=O)CNC(C)C ZINC000659318335 411393229 /nfs/dbraw/zinc/39/32/29/411393229.db2.gz DWSIWIKBUZGXJT-QWRGUYRKSA-N 0 3 228.336 0.916 20 0 BCADHN COCC1(CNC(=O)CNC(C)C)CC1 ZINC000659331048 411395370 /nfs/dbraw/zinc/39/53/70/411395370.db2.gz YXSRAUCGXYXTQM-UHFFFAOYSA-N 0 3 214.309 0.527 20 0 BCADHN COCCNCC(=O)NCc1cccc(N)c1 ZINC000659333528 411396448 /nfs/dbraw/zinc/39/64/48/411396448.db2.gz VOIXFQPVEOGQII-UHFFFAOYSA-N 0 3 237.303 0.121 20 0 BCADHN CO[C@@H](CNC(=O)CNC(C)C)[C@H]1CCOC1 ZINC000659332759 411396719 /nfs/dbraw/zinc/39/67/19/411396719.db2.gz LXGYBBSVHURADQ-QWRGUYRKSA-N 0 3 244.335 0.152 20 0 BCADHN Nc1cccc(CNC(=O)CCOC2CNC2)c1 ZINC000659333178 411396949 /nfs/dbraw/zinc/39/69/49/411396949.db2.gz PRWQPQQGNHOYRH-UHFFFAOYSA-N 0 3 249.314 0.264 20 0 BCADHN CCN[C@H](C)C(=O)NCCOC(C)C ZINC000638284035 411460950 /nfs/dbraw/zinc/46/09/50/411460950.db2.gz YNLCQJLAWAQZEO-SECBINFHSA-N 0 3 202.298 0.526 20 0 BCADHN NCc1cccc(NC(=O)[C@H]2COCCO2)c1 ZINC000055296983 411397414 /nfs/dbraw/zinc/39/74/14/411397414.db2.gz IXVRNCALYPROOM-LLVKDONJSA-N 0 3 236.271 0.499 20 0 BCADHN Cc1cnn(C)c1NC(=O)COC1(C)CNC1 ZINC000659336355 411397600 /nfs/dbraw/zinc/39/76/00/411397600.db2.gz 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ZINC000659362360 411404727 /nfs/dbraw/zinc/40/47/27/411404727.db2.gz WQRBHACOJSUHEV-STQMWFEESA-N 0 3 248.326 0.895 20 0 BCADHN CC1(C)[C@H](CNC(=O)C2(N)CC2)C1(F)F ZINC000659381066 411407724 /nfs/dbraw/zinc/40/77/24/411407724.db2.gz GUBWAGNWWKHWIP-LURJTMIESA-N 0 3 218.247 0.885 20 0 BCADHN Cc1cnc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cn1 ZINC000659391017 411408661 /nfs/dbraw/zinc/40/86/61/411408661.db2.gz MSNSITDGJCDHSN-RKDXNWHRSA-N 0 3 238.266 0.296 20 0 BCADHN N[C@@H]1CN(C(=O)[C@H]2CCCOC2)CC[C@H]1F ZINC000659389650 411408711 /nfs/dbraw/zinc/40/87/11/411408711.db2.gz OOTITASABXVEHG-IVZWLZJFSA-N 0 3 230.283 0.311 20 0 BCADHN N[C@@H]1CN(C(=O)c2cocn2)CC[C@H]1F ZINC000659386986 411409187 /nfs/dbraw/zinc/40/91/87/411409187.db2.gz KOOTTXPJXJBEGD-RNFRBKRXSA-N 0 3 213.212 0.186 20 0 BCADHN N[C@@H]1CN(C(=O)CCOCC2CC2)CC[C@H]1F ZINC000659389544 411410746 /nfs/dbraw/zinc/41/07/46/411410746.db2.gz PLNGLRLZHWZEEN-GHMZBOCLSA-N 0 3 244.310 0.701 20 0 BCADHN C[C@H]1C[C@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659392112 411412055 /nfs/dbraw/zinc/41/20/55/411412055.db2.gz YECWAMAOORXVSZ-JQCXWYLXSA-N 0 3 200.257 0.540 20 0 BCADHN CC1(C)C[C@H]1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659442007 411412692 /nfs/dbraw/zinc/41/26/92/411412692.db2.gz KHSSDYBEJLUKCY-IWSPIJDZSA-N 0 3 229.299 0.866 20 0 BCADHN C[C@@H](O)CN(C(=O)N[C@@H](C)CN(C)C)C1CC1 ZINC000654563716 411412714 /nfs/dbraw/zinc/41/27/14/411412714.db2.gz PHOFQWVVQJJYHF-VHSXEESVSA-N 0 3 243.351 0.491 20 0 BCADHN COC[C@H](CN1CC[C@H](n2cncn2)C1)OC ZINC000660325409 411413181 /nfs/dbraw/zinc/41/31/81/411413181.db2.gz WVZPLULPZKSKCW-QWRGUYRKSA-N 0 3 240.307 0.186 20 0 BCADHN C[C@@H](CNC(=O)N1CC2(CC2(F)F)C1)N(C)C ZINC000654582983 411414891 /nfs/dbraw/zinc/41/48/91/411414891.db2.gz CHAHHPQFDZLSGH-QMMMGPOBSA-N 0 3 247.289 0.987 20 0 BCADHN Cc1nnc2ccc(NCCN(C)C3CC3)nn12 ZINC000264918799 411415055 /nfs/dbraw/zinc/41/50/55/411415055.db2.gz LMMVLZIOBCPHQJ-UHFFFAOYSA-N 0 3 246.318 0.939 20 0 BCADHN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccccc1F ZINC000063171192 411416004 /nfs/dbraw/zinc/41/60/04/411416004.db2.gz MGRPHVVHYTUQJT-QMMMGPOBSA-N 0 3 246.307 0.841 20 0 BCADHN N[C@@H]1CN(C(=O)N[C@H]2CCCOC2)CC[C@H]1F ZINC000659450368 411416687 /nfs/dbraw/zinc/41/66/87/411416687.db2.gz NFZYAMAFNOUFQP-IVZWLZJFSA-N 0 3 245.298 0.246 20 0 BCADHN CC[C@@H](N)C(=O)N1CCCC(F)(F)C1 ZINC000405112102 411417604 /nfs/dbraw/zinc/41/76/04/411417604.db2.gz CEMYVVFCFUIIAN-SSDOTTSWSA-N 0 3 206.236 0.981 20 0 BCADHN O[C@@H]1C[C@H]2CN(CC[C@@H]3CCCO3)CCN2C1 ZINC000405214001 411421056 /nfs/dbraw/zinc/42/10/56/411421056.db2.gz JGYGVWYGTUXHPN-XQQFMLRXSA-N 0 3 240.347 0.306 20 0 BCADHN N[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2C2CC2)CC[C@H]1F ZINC000659489690 411421059 /nfs/dbraw/zinc/42/10/59/411421059.db2.gz ITWDKALABYXXNB-LNFKQOIKSA-N 0 3 241.310 0.866 20 0 BCADHN O[C@@H]1C[C@H]2CN([C@H]3C=CCCC3)CCN2C1 ZINC000405268282 411422603 /nfs/dbraw/zinc/42/26/03/411422603.db2.gz QKYMGKCPZQAFQR-RWMBFGLXSA-N 0 3 222.332 0.846 20 0 BCADHN CCn1nccc1C(=O)NC(C)(C)CN(C)C ZINC000654657289 411424025 /nfs/dbraw/zinc/42/40/25/411424025.db2.gz FUVYNPMXIUZTFT-UHFFFAOYSA-N 0 3 238.335 0.973 20 0 BCADHN CN(CC[C@H]1CCNC1=O)Cc1cn[nH]c1 ZINC000653583657 411426231 /nfs/dbraw/zinc/42/62/31/411426231.db2.gz NYHIKHLWXXRMAW-SNVBAGLBSA-N 0 3 222.292 0.368 20 0 BCADHN CCC[C@H](C(=O)NCc1nnc[n-]1)[NH+](C)C ZINC000270683360 411428403 /nfs/dbraw/zinc/42/84/03/411428403.db2.gz TTWKNJBKMDXLMJ-MRVPVSSYSA-N 0 3 225.296 0.151 20 0 BCADHN COCCNCCNC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000659526580 411428957 /nfs/dbraw/zinc/42/89/57/411428957.db2.gz DBJLTPUHCREJHU-GHMZBOCLSA-N 0 3 241.335 0.274 20 0 BCADHN CC1(C)C[C@@]1(C)NC(=O)NC[C@@H]1CNCCO1 ZINC000659551378 411434533 /nfs/dbraw/zinc/43/45/33/411434533.db2.gz BFCMEVKAFZDISC-JOYOIKCWSA-N 0 3 241.335 0.463 20 0 BCADHN Cc1nnc(N[C@H]2C[C@@H](C)N(C3CC3)C2)o1 ZINC000336726878 411434915 /nfs/dbraw/zinc/43/49/15/411434915.db2.gz BTPMLOAJURTXCH-APPZFPTMSA-N 0 3 222.292 1.415 20 0 BCADHN CC[C@H](C)N(CC)C(=O)NC[C@@H]1CNCCO1 ZINC000659555208 411435599 /nfs/dbraw/zinc/43/55/99/411435599.db2.gz PBKZHFMNTKPBQL-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN CO[C@H](C)CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000659569286 411437675 /nfs/dbraw/zinc/43/76/75/411437675.db2.gz GJOKOBITYGALJX-KXUCPTDWSA-N 0 3 229.324 0.413 20 0 BCADHN CO[C@@H](C)CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000659568280 411437737 /nfs/dbraw/zinc/43/77/37/411437737.db2.gz GIYCDSHUHHBYBS-IVZWLZJFSA-N 0 3 229.324 0.413 20 0 BCADHN CO[C@H](C)CNC(=O)N1CCCNCC1 ZINC000659569611 411438699 /nfs/dbraw/zinc/43/86/99/411438699.db2.gz LGRNJAAOXKNDCI-SECBINFHSA-N 0 3 215.297 0.026 20 0 BCADHN CC(C)(CO)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000654759750 411440313 /nfs/dbraw/zinc/44/03/13/411440313.db2.gz XMNSAUAGJWHCGX-LLVKDONJSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H]1CCCCCN1C(=O)CN1CCNCC1 ZINC000070409758 411440533 /nfs/dbraw/zinc/44/05/33/411440533.db2.gz UAISBEOEAZEWJM-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN Cc1ccc(C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000120767002 411441791 /nfs/dbraw/zinc/44/17/91/411441791.db2.gz XDCXAJUEPPEEGB-CYBMUJFWSA-N 0 3 247.342 0.710 20 0 BCADHN COc1cccc(CNC[C@@H]2CCCNC2=O)n1 ZINC000657284215 411443389 /nfs/dbraw/zinc/44/33/89/411443389.db2.gz RGIITAXERSPILO-JTQLQIEISA-N 0 3 249.314 0.706 20 0 BCADHN CCN[C@H](C)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000637929980 411447181 /nfs/dbraw/zinc/44/71/81/411447181.db2.gz RSMLUPSEWBUZRS-OPRDCNLKSA-N 0 3 214.309 0.620 20 0 BCADHN Cn1ncc(C(F)(F)F)c1CNCCO ZINC000657293661 411450223 /nfs/dbraw/zinc/45/02/23/411450223.db2.gz RAXQJOFSWKAJRE-UHFFFAOYSA-N 0 3 223.198 0.521 20 0 BCADHN COC[C@@H](CO)NCc1ccc2c(c1)ncn2C ZINC000279793107 411450716 /nfs/dbraw/zinc/45/07/16/411450716.db2.gz MMNOKSFEACPNKY-LLVKDONJSA-N 0 3 249.314 0.670 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000637962082 411451364 /nfs/dbraw/zinc/45/13/64/411451364.db2.gz IHYMCWQKJAYKIP-KXUCPTDWSA-N 0 3 241.335 0.145 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@@H]1CCSC1 ZINC000306535704 411451788 /nfs/dbraw/zinc/45/17/88/411451788.db2.gz MBMPXLHLOGGYAD-HTQZYQBOSA-N 0 3 214.334 0.606 20 0 BCADHN CC[C@@H]1C[C@@H](NCCNC(=O)C(C)C)CO1 ZINC000657290190 411451893 /nfs/dbraw/zinc/45/18/93/411451893.db2.gz ZNAOODXIWMURHO-GHMZBOCLSA-N 0 3 228.336 0.916 20 0 BCADHN O=C(NCCNCc1cnc2n1CCC2)C1CC1 ZINC000657290524 411452099 /nfs/dbraw/zinc/45/20/99/411452099.db2.gz QKLOPQMXRMCKHB-UHFFFAOYSA-N 0 3 248.330 0.445 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000654836293 411453251 /nfs/dbraw/zinc/45/32/51/411453251.db2.gz WUMHTTGUPONOLG-OPRDCNLKSA-N 0 3 238.331 0.798 20 0 BCADHN Cc1c[nH]c(CNCCCN2CCCC2=O)n1 ZINC000657292832 411453281 /nfs/dbraw/zinc/45/32/81/411453281.db2.gz PUKWYDNTJUHBIF-UHFFFAOYSA-N 0 3 236.319 0.820 20 0 BCADHN Cc1c[nH]c(CNCCN2CCCC2)n1 ZINC000657292728 411453373 /nfs/dbraw/zinc/45/33/73/411453373.db2.gz QRDVETIHTDUUFU-UHFFFAOYSA-N 0 3 208.309 0.904 20 0 BCADHN CC1(C)C[C@H](N2CC[C@H](CO)[C@@H](O)C2)CO1 ZINC000660394571 411454320 /nfs/dbraw/zinc/45/43/20/411454320.db2.gz BOLJVGVMKPRDLH-VWYCJHECSA-N 0 3 229.320 0.229 20 0 BCADHN NC1(C(=O)NCCCn2ccnn2)CCCC1 ZINC000127122626 411470909 /nfs/dbraw/zinc/47/09/09/411470909.db2.gz WJCCMFMDFZLLAQ-UHFFFAOYSA-N 0 3 237.307 0.056 20 0 BCADHN CC(C)[C@@H](O)CN(C)CCc1cnccn1 ZINC000293055508 411471486 /nfs/dbraw/zinc/47/14/86/411471486.db2.gz YJRYSQCDLGREJG-LBPRGKRZSA-N 0 3 223.320 0.968 20 0 BCADHN C[C@H](Cn1cncn1)NCc1cnc2n1CCC2 ZINC000657336364 411471494 /nfs/dbraw/zinc/47/14/94/411471494.db2.gz QVCJLIFXQUKTJO-SNVBAGLBSA-N 0 3 246.318 0.599 20 0 BCADHN COCCN1CC[C@@H](NCc2nc(C)c[nH]2)C1 ZINC000657354233 411474411 /nfs/dbraw/zinc/47/44/11/411474411.db2.gz QAVRJQUZQSWAJG-LLVKDONJSA-N 0 3 238.335 0.528 20 0 BCADHN C[C@@H](CNCc1nnn(C(C)(C)C)n1)N(C)C ZINC000657348008 411475257 /nfs/dbraw/zinc/47/52/57/411475257.db2.gz ISLDBOSLCUTJMV-VIFPVBQESA-N 0 3 240.355 0.468 20 0 BCADHN COCCN(C)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000659848872 411475763 /nfs/dbraw/zinc/47/57/63/411475763.db2.gz JEFYQZYSWDWSRB-RYUDHWBXSA-N 0 3 230.352 0.674 20 0 BCADHN CC1(CNCc2cnn3c2CCC3)COC1 ZINC000657359042 411476816 /nfs/dbraw/zinc/47/68/16/411476816.db2.gz PWRKPWQSAFWHQV-UHFFFAOYSA-N 0 3 221.304 0.955 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H](C)CS(C)(=O)=O)CO1 ZINC000657360964 411476872 /nfs/dbraw/zinc/47/68/72/411476872.db2.gz WKHGFJREZDKILQ-LPEHRKFASA-N 0 3 235.349 0.577 20 0 BCADHN CCN(CCOC)C[C@H](COC)OC ZINC000659853111 411477113 /nfs/dbraw/zinc/47/71/13/411477113.db2.gz MBNOPZBNZMVZFK-SNVBAGLBSA-N 0 3 205.298 0.616 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@H](C)CS(C)(=O)=O)CO1 ZINC000657360965 411477496 /nfs/dbraw/zinc/47/74/96/411477496.db2.gz WKHGFJREZDKILQ-OPRDCNLKSA-N 0 3 235.349 0.577 20 0 BCADHN CC(C)(CO)NCc1cnn2c1CCC2 ZINC000657355835 411477824 /nfs/dbraw/zinc/47/78/24/411477824.db2.gz AYDHMVQWDGUXLR-UHFFFAOYSA-N 0 3 209.293 0.690 20 0 BCADHN C[C@H](O)CCNCc1cnc2n1CCC2 ZINC000657361408 411478595 /nfs/dbraw/zinc/47/85/95/411478595.db2.gz CVPFHBSOFNYIIT-VIFPVBQESA-N 0 3 209.293 0.690 20 0 BCADHN Cc1ncc(CNC[C@H](O)C2CC2)n1C ZINC000657366734 411478953 /nfs/dbraw/zinc/47/89/53/411478953.db2.gz LDDBGLHWWDYVRZ-NSHDSACASA-N 0 3 209.293 0.589 20 0 BCADHN C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[C@@H](O)C2)C1 ZINC000655022835 411479700 /nfs/dbraw/zinc/47/97/00/411479700.db2.gz GGUBYRCPWBDYIU-IJLUTSLNSA-N 0 3 240.347 0.605 20 0 BCADHN OC1(CN2CCCOCC2)CCSCC1 ZINC000659859020 411479939 /nfs/dbraw/zinc/47/99/39/411479939.db2.gz FHHNMDXECVGMSE-UHFFFAOYSA-N 0 3 231.361 0.967 20 0 BCADHN CC1(C)CN[C@H]1C(=O)Nc1nncs1 ZINC000307758156 411484482 /nfs/dbraw/zinc/48/44/82/411484482.db2.gz NOTIGUCKNXKFPZ-YFKPBYRVSA-N 0 3 212.278 0.475 20 0 BCADHN COC[C@](C)(O)CNCc1cnc(C)n1C ZINC000657372419 411484584 /nfs/dbraw/zinc/48/45/84/411484584.db2.gz SCRQOGULMJEWAM-LLVKDONJSA-N 0 3 227.308 0.216 20 0 BCADHN COC[C@@](C)(O)CNCc1cnc(C)n1C ZINC000657372420 411485212 /nfs/dbraw/zinc/48/52/12/411485212.db2.gz SCRQOGULMJEWAM-NSHDSACASA-N 0 3 227.308 0.216 20 0 BCADHN C[C@H](CO)[C@H](C)NCc1cnc2n1CCC2 ZINC000657372800 411485595 /nfs/dbraw/zinc/48/55/95/411485595.db2.gz XDXJXBHXLHPXIL-ZJUUUORDSA-N 0 3 223.320 0.936 20 0 BCADHN OCC1(CNCc2cnn3c2CCC3)CC1 ZINC000657382765 411487855 /nfs/dbraw/zinc/48/78/55/411487855.db2.gz KCYXIYDXTIOCJP-UHFFFAOYSA-N 0 3 221.304 0.691 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@H]2CCCN(C)C2=O)CO1 ZINC000657386468 411488797 /nfs/dbraw/zinc/48/87/97/411488797.db2.gz CELWNHGRKFBWJE-MXWKQRLJSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@@H]1C[C@H](NCC(C)(C)S(C)(=O)=O)CO1 ZINC000657386535 411489489 /nfs/dbraw/zinc/48/94/89/411489489.db2.gz HSRCMDJUCRXSIS-VHSXEESVSA-N 0 3 249.376 0.967 20 0 BCADHN O[C@@H](CNC1COCCOC1)CC(F)(F)F ZINC000307945521 411489709 /nfs/dbraw/zinc/48/97/09/411489709.db2.gz ZDNOIPMUGNIHPY-MRVPVSSYSA-N 0 3 243.225 0.305 20 0 BCADHN O=C(C[C@H]1CNCCO1)NCC1(C(F)F)CC1 ZINC000638720680 411490904 /nfs/dbraw/zinc/49/09/04/411490904.db2.gz LDQRXTSFVQKEPQ-QMMMGPOBSA-N 0 3 248.273 0.526 20 0 BCADHN CC[C@H]1C[C@H](NCc2ccc(C(N)=O)nc2)CO1 ZINC000657388758 411490877 /nfs/dbraw/zinc/49/08/77/411490877.db2.gz FDKNLYHXTQDLMS-QWRGUYRKSA-N 0 3 249.314 0.838 20 0 BCADHN CC[C@H]1C[C@H](NCCCS(=O)(=O)CC)CO1 ZINC000657494457 411533732 /nfs/dbraw/zinc/53/37/32/411533732.db2.gz BDMRKVKGRGWWQW-QWRGUYRKSA-N 0 3 249.376 0.968 20 0 BCADHN CN(C[C@H]1CN(C)CCO1)[C@H]1COC(C)(C)C1 ZINC000659899509 411491854 /nfs/dbraw/zinc/49/18/54/411491854.db2.gz IZSZAOLGBHLMSL-VXGBXAGGSA-N 0 3 242.363 0.816 20 0 BCADHN COCCN(C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H](C)C(N)=O ZINC000659902659 411492849 /nfs/dbraw/zinc/49/28/49/411492849.db2.gz BEIOPPCPTYPBOD-YFKTTZPYSA-N 0 3 240.347 0.855 20 0 BCADHN CCC(CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000655096037 411494261 /nfs/dbraw/zinc/49/42/61/411494261.db2.gz XERZHWPCDXNQLK-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H]2COC[C@@H]2OC)CO1 ZINC000657490115 411533875 /nfs/dbraw/zinc/53/38/75/411533875.db2.gz FDSYLPLCPCISJH-ZDCRXTMVSA-N 0 3 215.293 0.557 20 0 BCADHN CN(C)[C@H]1CN(C(=O)CCC(F)F)C[C@@H]1O ZINC000655095693 411494489 /nfs/dbraw/zinc/49/44/89/411494489.db2.gz HSOMVCTUAQVAKI-YUMQZZPRSA-N 0 3 236.262 0.165 20 0 BCADHN CCOCCN(CC)CCc1cn[nH]n1 ZINC000659908698 411495788 /nfs/dbraw/zinc/49/57/88/411495788.db2.gz JLFLFFZGDREZJX-UHFFFAOYSA-N 0 3 212.297 0.706 20 0 BCADHN C[C@@]1(O)C[C@H](NCc2cnn3c2CCC3)C1 ZINC000657494530 411533980 /nfs/dbraw/zinc/53/39/80/411533980.db2.gz PLDDDDZIGUWYML-KLPPZKSPSA-N 0 3 221.304 0.832 20 0 BCADHN COC[C@H](CN(C)CCn1cccn1)OC ZINC000659918580 411498194 /nfs/dbraw/zinc/49/81/94/411498194.db2.gz LFYDTNPJPZKKCV-NSHDSACASA-N 0 3 227.308 0.476 20 0 BCADHN OCC1(NCc2cnc3n2CCC3)CC1 ZINC000657415290 411499704 /nfs/dbraw/zinc/49/97/04/411499704.db2.gz IEXCJKYEPICMDE-UHFFFAOYSA-N 0 3 207.277 0.444 20 0 BCADHN CC[C@@H]1C[C@@H](NC[C@@H](C)S(C)(=O)=O)CO1 ZINC000657415979 411499733 /nfs/dbraw/zinc/49/97/33/411499733.db2.gz JSFOOONFKDIJPS-OPRDCNLKSA-N 0 3 235.349 0.577 20 0 BCADHN c1nc2n(c1CNCCN1CCC1)CCC2 ZINC000657416455 411500459 /nfs/dbraw/zinc/50/04/59/411500459.db2.gz SBVYLEFRDKGJID-UHFFFAOYSA-N 0 3 220.320 0.625 20 0 BCADHN c1nc2n(c1CN[C@@H]1CCOC1)CCC2 ZINC000657416961 411500674 /nfs/dbraw/zinc/50/06/74/411500674.db2.gz YJTPXXGELVDEQE-SECBINFHSA-N 0 3 207.277 0.708 20 0 BCADHN COC[C@H](CN1CCC[C@@H](OCCO)C1)OC ZINC000659932250 411502030 /nfs/dbraw/zinc/50/20/30/411502030.db2.gz YEGOJLXTIKAWCJ-NEPJUHHUSA-N 0 3 247.335 0.121 20 0 BCADHN CN1CCC[C@H](NC(=O)NC2(CCO)CC2)C1 ZINC000655132387 411502038 /nfs/dbraw/zinc/50/20/38/411502038.db2.gz MPIWMKMUFXCYQA-JTQLQIEISA-N 0 3 241.335 0.295 20 0 BCADHN COCCN(C[C@H](COC)OC)[C@@H]1CCOC1 ZINC000660432095 411502265 /nfs/dbraw/zinc/50/22/65/411502265.db2.gz KEERDEOUSAFFLN-VXGBXAGGSA-N 0 3 247.335 0.385 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC[C@@H](O)[C@H]2C)C1 ZINC000655137725 411502504 /nfs/dbraw/zinc/50/25/04/411502504.db2.gz SEFZFCJUVOZFDK-GMTAPVOTSA-N 0 3 226.320 0.310 20 0 BCADHN CS(=O)(=O)N[C@@H]1CCN(CCC2CCC2)C1 ZINC000659935497 411502649 /nfs/dbraw/zinc/50/26/49/411502649.db2.gz QKAQVPPHAVOCFB-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN COC[C@H](O)CCNCc1cnc2n1CCC2 ZINC000657421691 411502696 /nfs/dbraw/zinc/50/26/96/411502696.db2.gz ILPXPBSCAIKHJE-LLVKDONJSA-N 0 3 239.319 0.316 20 0 BCADHN COC[C@H](O)CCNCc1cnn2c1CCC2 ZINC000657422966 411503156 /nfs/dbraw/zinc/50/31/56/411503156.db2.gz SXTOUDKCGBQYSC-LLVKDONJSA-N 0 3 239.319 0.316 20 0 BCADHN Cc1c[nH]c(CN[C@H](CO)C2CCOCC2)n1 ZINC000657431657 411504467 /nfs/dbraw/zinc/50/44/67/411504467.db2.gz HUCHUZBSQLEACL-LLVKDONJSA-N 0 3 239.319 0.595 20 0 BCADHN Cc1ncc(CNCC2(CO)CCC2)n1C ZINC000657432549 411505688 /nfs/dbraw/zinc/50/56/88/411505688.db2.gz HBEPQVHWFDXROB-UHFFFAOYSA-N 0 3 223.320 0.981 20 0 BCADHN Cc1c[nH]c(CNCCCn2ccnn2)n1 ZINC000657433184 411506307 /nfs/dbraw/zinc/50/63/07/411506307.db2.gz YBMQNDDTCZFSHV-UHFFFAOYSA-N 0 3 220.280 0.490 20 0 BCADHN OCCOCCCNCc1cnn2c1CCC2 ZINC000657430628 411508119 /nfs/dbraw/zinc/50/81/19/411508119.db2.gz SVDVEVOUZKGTFN-UHFFFAOYSA-N 0 3 239.319 0.318 20 0 BCADHN C[C@H](CCO)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC000655166667 411509452 /nfs/dbraw/zinc/50/94/52/411509452.db2.gz HKDODWXSWZFTKK-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H](O)CN(C)CCc1nnn(C(C)(C)C)n1 ZINC000659952985 411509699 /nfs/dbraw/zinc/50/96/99/411509699.db2.gz LTNMVHGRDFDWNY-SECBINFHSA-N 0 3 241.339 0.283 20 0 BCADHN Cc1ncc(CNC[C@H]2CC[C@H](O)C2)n1C ZINC000657445812 411512706 /nfs/dbraw/zinc/51/27/06/411512706.db2.gz LBYHDNOHAWNZDB-JQWIXIFHSA-N 0 3 223.320 0.979 20 0 BCADHN NC(=O)CC1(CNCc2cnc3n2CCC3)CC1 ZINC000657494726 411534745 /nfs/dbraw/zinc/53/47/45/411534745.db2.gz RQJOXNRSYQBZRP-UHFFFAOYSA-N 0 3 248.330 0.575 20 0 BCADHN Cc1ncc(CNC[C@@H]2CCCC(=O)N2)n1C ZINC000657453153 411514773 /nfs/dbraw/zinc/51/47/73/411514773.db2.gz WHRJAPVCOHHXDF-JTQLQIEISA-N 0 3 236.319 0.487 20 0 BCADHN CCN1CC[C@H](N2CC[C@](C)(O)C2)C1=O ZINC000659985682 411519187 /nfs/dbraw/zinc/51/91/87/411519187.db2.gz QALDIWXFFWXADT-ONGXEEELSA-N 0 3 212.293 0.064 20 0 BCADHN C[C@@]1(O)CCN(CCO[C@H]2CC2(F)F)C1 ZINC000659985429 411519563 /nfs/dbraw/zinc/51/95/63/411519563.db2.gz JPJQHCNOZZFYMJ-DTWKUNHWSA-N 0 3 221.247 0.867 20 0 BCADHN Cn1nnc2c1CC[C@@H](NCc1cccnc1)C2 ZINC000655844063 411534975 /nfs/dbraw/zinc/53/49/75/411534975.db2.gz YAFNZLHUZYZQIM-LLVKDONJSA-N 0 3 243.314 0.857 20 0 BCADHN C[C@]1(O)CCN(CCO[C@@H]2CC2(F)F)C1 ZINC000659985428 411520085 /nfs/dbraw/zinc/52/00/85/411520085.db2.gz JPJQHCNOZZFYMJ-BDAKNGLRSA-N 0 3 221.247 0.867 20 0 BCADHN CO[C@@](C)(CO)CNCc1ccncc1C ZINC000655807944 411521112 /nfs/dbraw/zinc/52/11/12/411521112.db2.gz XJXSOVILHVQWJD-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN CO[C@](C)(CO)CNCc1c(C)cnn1C ZINC000655807542 411521140 /nfs/dbraw/zinc/52/11/40/411521140.db2.gz PGLREBFEUZUWOP-NSHDSACASA-N 0 3 227.308 0.216 20 0 BCADHN CCn1cc(CNC[C@@](C)(CO)OC)cn1 ZINC000655809068 411522188 /nfs/dbraw/zinc/52/21/88/411522188.db2.gz PNJXYGCQQDKAAA-NSHDSACASA-N 0 3 227.308 0.390 20 0 BCADHN CO[C@@](C)(CO)CNCc1c(C)n[nH]c1C ZINC000655808888 411522230 /nfs/dbraw/zinc/52/22/30/411522230.db2.gz KYEYTJBCKHIWED-LLVKDONJSA-N 0 3 227.308 0.514 20 0 BCADHN CC[C@@H]1C[C@H](NC2COCCOC2)CO1 ZINC000657472541 411523046 /nfs/dbraw/zinc/52/30/46/411523046.db2.gz URZHDVWBRHRNBB-GXSJLCMTSA-N 0 3 215.293 0.559 20 0 BCADHN COC[C@@H](CN1CCSC[C@@H]1CCO)OC ZINC000660003136 411526390 /nfs/dbraw/zinc/52/63/90/411526390.db2.gz MTWAWEIMAIKFJN-WDEREUQCSA-N 0 3 249.376 0.448 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCC1(COC)CC1 ZINC000655816729 411528347 /nfs/dbraw/zinc/52/83/47/411528347.db2.gz CLEJWFDQXTVGPY-JTQLQIEISA-N 0 3 249.376 0.826 20 0 BCADHN Cc1c[nH]c(CNCCC2(CO)CC2)n1 ZINC000657483577 411529032 /nfs/dbraw/zinc/52/90/32/411529032.db2.gz LUWVWYHXNQBLLL-UHFFFAOYSA-N 0 3 209.293 0.970 20 0 BCADHN COCc1csc(CN[C@@H]2COC[C@H]2O)c1 ZINC000657483166 411529150 /nfs/dbraw/zinc/52/91/50/411529150.db2.gz HJIWUQDDHIUSHV-GHMZBOCLSA-N 0 3 243.328 0.744 20 0 BCADHN CC[C@H](N[C@@H]1CO[C@H](CC)C1)C(=O)NC ZINC000657487660 411530956 /nfs/dbraw/zinc/53/09/56/411530956.db2.gz XHKFTIJYUYMFBC-AEJSXWLSSA-N 0 3 214.309 0.668 20 0 BCADHN Cc1ncc(CN[C@H]2CCCN(C)C2)n1C ZINC000657326462 411465883 /nfs/dbraw/zinc/46/58/83/411465883.db2.gz UGUQKGRVBLPTJA-NSHDSACASA-N 0 3 222.336 0.912 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000335150634 170011321 /nfs/dbraw/zinc/01/13/21/170011321.db2.gz PEZDDWGYUTWQJP-SECBINFHSA-N 0 3 222.292 0.542 20 0 BCADHN CCN1CC[C@@H](NC(=O)N[C@]2(C)CCOC2)C1 ZINC000334128412 170012378 /nfs/dbraw/zinc/01/23/78/170012378.db2.gz RIOVEJNJXYCMBV-ZYHUDNBSSA-N 0 3 241.335 0.559 20 0 BCADHN CCN1CC[C@@H]2OCCN(CCCO)[C@H]2C1 ZINC000339396406 170014063 /nfs/dbraw/zinc/01/40/63/170014063.db2.gz TWYJAKRHRUZYHO-RYUDHWBXSA-N 0 3 228.336 0.164 20 0 BCADHN CCN1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000368707240 170014410 /nfs/dbraw/zinc/01/44/10/170014410.db2.gz PCKOBJYMGPPKNT-MRVPVSSYSA-N 0 3 224.264 0.331 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000335150872 170017650 /nfs/dbraw/zinc/01/76/50/170017650.db2.gz SUGHKXSFZNSERE-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN CCN1CC[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC000335151376 170018434 /nfs/dbraw/zinc/01/84/34/170018434.db2.gz WIXRZVBAQYUFCM-JTQLQIEISA-N 0 3 236.319 0.553 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000335150592 170019333 /nfs/dbraw/zinc/01/93/33/170019333.db2.gz OEUYKNPUPCSGPY-QWRGUYRKSA-N 0 3 225.336 0.291 20 0 BCADHN CCN1CC[C@H](NCc2cccc(C(N)=O)c2)C1 ZINC000336886084 170020576 /nfs/dbraw/zinc/02/05/76/170020576.db2.gz BLUAPQRHQCZAGJ-ZDUSSCGKSA-N 0 3 247.342 0.969 20 0 BCADHN CNS(=O)(=O)[C@H]1CCN(CCC=C(C)C)C1 ZINC000660117437 411539140 /nfs/dbraw/zinc/53/91/40/411539140.db2.gz ITGQVOSGEIDOLT-NSHDSACASA-N 0 3 246.376 0.966 20 0 BCADHN CCN1CCc2nc(NC(=O)CN)sc2C1 ZINC000236906115 170025307 /nfs/dbraw/zinc/02/53/07/170025307.db2.gz UDJSOGBOOIDLNB-UHFFFAOYSA-N 0 3 240.332 0.418 20 0 BCADHN CCN1CN(C(=O)[C@H](C(C)C)N(C)C)CC1=O ZINC000361414793 170026236 /nfs/dbraw/zinc/02/62/36/170026236.db2.gz WRUUIYQEBDTLLZ-NSHDSACASA-N 0 3 241.335 0.221 20 0 BCADHN CCN1C[C@@H](C)N(CCC(=O)OC)C[C@H]1C ZINC000346219013 170027529 /nfs/dbraw/zinc/02/75/29/170027529.db2.gz VJUVYELJQMQAGP-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN COc1ccc(CN(C)CCc2cn[nH]n2)cn1 ZINC000660116615 411539597 /nfs/dbraw/zinc/53/95/97/411539597.db2.gz BJCHGLUUIOCTJU-UHFFFAOYSA-N 0 3 247.302 0.883 20 0 BCADHN COc1ccc(CN(C)CCc2c[nH]nn2)cn1 ZINC000660116615 411539599 /nfs/dbraw/zinc/53/95/99/411539599.db2.gz BJCHGLUUIOCTJU-UHFFFAOYSA-N 0 3 247.302 0.883 20 0 BCADHN CCCn1nccc1CNC[C@](C)(CO)OC ZINC000657505943 411540092 /nfs/dbraw/zinc/54/00/92/411540092.db2.gz XDWYMSQFNJEZPP-GFCCVEGCSA-N 0 3 241.335 0.780 20 0 BCADHN C[C@H](CO)N(C)CCc1nnn(C(C)(C)C)n1 ZINC000660126563 411541086 /nfs/dbraw/zinc/54/10/86/411541086.db2.gz XRZSFNCGGUDMOL-SECBINFHSA-N 0 3 241.339 0.283 20 0 BCADHN C[C@H](CO)N(C)CCO[C@H]1CC1(F)F ZINC000660125282 411541105 /nfs/dbraw/zinc/54/11/05/411541105.db2.gz NHSIZRFQRILMOO-SFYZADRCSA-N 0 3 209.236 0.723 20 0 BCADHN CCNC(=O)CCN1CCCC[C@H]1C(=N)NO ZINC000372309909 170050705 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CSTGKYWHPAAKCT-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN CN(Cc1cn[nH]c1)C1(CO)CCOCC1 ZINC000660400805 411580135 /nfs/dbraw/zinc/58/01/35/411580135.db2.gz UPMXBFZDODXMGD-UHFFFAOYSA-N 0 3 225.292 0.383 20 0 BCADHN Cc1nocc1CN(C)C1(CO)CCOCC1 ZINC000660400561 411580307 /nfs/dbraw/zinc/58/03/07/411580307.db2.gz RADHLQPKBSFKJM-UHFFFAOYSA-N 0 3 240.303 0.956 20 0 BCADHN CCN1OC[C@H](N[C@H]2CCOC[C@H]2C)C1=O ZINC000660417530 411582139 /nfs/dbraw/zinc/58/21/39/411582139.db2.gz DJWMBQONHURIMF-UTLUCORTSA-N 0 3 228.292 0.163 20 0 BCADHN Cn1ccnc1CNC[C@H](CO)CC1CC1 ZINC000657699211 411582585 /nfs/dbraw/zinc/58/25/85/411582585.db2.gz CFYQXNYRPOGHFH-LLVKDONJSA-N 0 3 223.320 0.918 20 0 BCADHN O[C@@H]1C[C@@H](NCc2cn[nH]c2)C12CCC2 ZINC000657702746 411583247 /nfs/dbraw/zinc/58/32/47/411583247.db2.gz IXKCGNLXLIWMPU-NXEZZACHSA-N 0 3 207.277 0.803 20 0 BCADHN CCN1OC[C@H](N[C@@H]2CCC[C@H]2CCO)C1=O ZINC000660430078 411583534 /nfs/dbraw/zinc/58/35/34/411583534.db2.gz GMTKJWGNFLVYHU-AXFHLTTASA-N 0 3 242.319 0.289 20 0 BCADHN Cn1nncc1CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000657704788 411583771 /nfs/dbraw/zinc/58/37/71/411583771.db2.gz IKXSCEBMGINWBI-NXEZZACHSA-N 0 3 222.292 0.208 20 0 BCADHN COC[C@H](CN[C@@H](COC)[C@@H]1CCCO1)OC ZINC000660441176 411584936 /nfs/dbraw/zinc/58/49/36/411584936.db2.gz RYQGVTFSSLPHLN-SRVKXCTJSA-N 0 3 247.335 0.431 20 0 BCADHN COC[C@H](CN[C@@H](COC)[C@H]1CCCO1)OC ZINC000660441175 411585023 /nfs/dbraw/zinc/58/50/23/411585023.db2.gz RYQGVTFSSLPHLN-SDDRHHMPSA-N 0 3 247.335 0.431 20 0 BCADHN Cn1cc(CNC[C@@H](CO)CC2CC2)cn1 ZINC000657707816 411585201 /nfs/dbraw/zinc/58/52/01/411585201.db2.gz SVXOKRYIUNASCC-NSHDSACASA-N 0 3 223.320 0.918 20 0 BCADHN CC[C@@H]1CN(CCc2cn[nH]n2)CCCO1 ZINC000660471196 411590366 /nfs/dbraw/zinc/59/03/66/411590366.db2.gz ZXHMYISWHDYYTN-LLVKDONJSA-N 0 3 224.308 0.848 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCCO[C@H]1CC1(F)F ZINC000660477583 411591239 /nfs/dbraw/zinc/59/12/39/411591239.db2.gz KMUNPRGDFCBIPX-HRDYMLBCSA-N 0 3 248.273 0.525 20 0 BCADHN CC(=O)c1nc(CCN(C)CCCO)[nH]c1C ZINC000660479197 411591652 /nfs/dbraw/zinc/59/16/52/411591652.db2.gz YMGNDDAUCGKCOQ-UHFFFAOYSA-N 0 3 239.319 0.777 20 0 BCADHN CC(=O)c1[nH]c(CCN(C)CCCO)nc1C ZINC000660479197 411591654 /nfs/dbraw/zinc/59/16/54/411591654.db2.gz YMGNDDAUCGKCOQ-UHFFFAOYSA-N 0 3 239.319 0.777 20 0 BCADHN CO[C@H](CN[C@H]1C(=O)NCC[C@@H]1C)C1CCC1 ZINC000660478771 411591709 /nfs/dbraw/zinc/59/17/09/411591709.db2.gz ONPXBZQWEGNWAS-MVWJERBFSA-N 0 3 240.347 0.916 20 0 BCADHN CN(CCOCCO)CCO[C@@H]1CC1(F)F ZINC000660485974 411593168 /nfs/dbraw/zinc/59/31/68/411593168.db2.gz NUGQPSCNWQNKFQ-SECBINFHSA-N 0 3 239.262 0.351 20 0 BCADHN C[C@@H]1C[C@H](N2CC[C@](F)(CO)C2)CCO1 ZINC000660488329 411593298 /nfs/dbraw/zinc/59/32/98/411593298.db2.gz FSAINVDEQRIZNW-GMTAPVOTSA-N 0 3 217.284 0.960 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCOC1(C)C ZINC000657784410 411595056 /nfs/dbraw/zinc/59/50/56/411595056.db2.gz AUAATUQFKQFHMS-VIFPVBQESA-N 0 3 224.308 0.720 20 0 BCADHN CCN1CCN(C[C@H](COC)OC)[C@H](C)C1 ZINC000660535309 411596501 /nfs/dbraw/zinc/59/65/01/411596501.db2.gz ILAIODXCVPXAPS-VXGBXAGGSA-N 0 3 230.352 0.674 20 0 BCADHN CO[C@@H](C)CN1CCC(c2nc(N)n[nH]2)CC1 ZINC000660568018 411601653 /nfs/dbraw/zinc/60/16/53/411601653.db2.gz SXIGWILBKVQOPY-QMMMGPOBSA-N 0 3 239.323 0.601 20 0 BCADHN Cc1cc(C)n2c(CN[C@H]3C[C@H](O)C3)cnc2n1 ZINC000657809943 411602076 /nfs/dbraw/zinc/60/20/76/411602076.db2.gz VIRKNQDWKVNQIS-UMSPYCQHSA-N 0 3 246.314 0.959 20 0 BCADHN O[C@H]1C[C@H](NCc2cnc3cnccn23)C1 ZINC000657809711 411602334 /nfs/dbraw/zinc/60/23/34/411602334.db2.gz PJJOMPVNUBSSBN-CZMCAQCFSA-N 0 3 218.260 0.342 20 0 BCADHN CN(C)c1ncc(CN[C@H]2C[C@H](O)C2)cn1 ZINC000657810091 411602499 /nfs/dbraw/zinc/60/24/99/411602499.db2.gz TZPFQZZEMOJLQA-MGCOHNPYSA-N 0 3 222.292 0.156 20 0 BCADHN CCN(C[C@@H](C)OC)[C@H]1CCN(CC)C1=O ZINC000660596965 411604997 /nfs/dbraw/zinc/60/49/97/411604997.db2.gz KDOWQTRQQJWLGC-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H](O)CN(C)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000660597630 411605815 /nfs/dbraw/zinc/60/58/15/411605815.db2.gz SGPKNFGWGJNPLP-WRWGMCAJSA-N 0 3 240.347 0.746 20 0 BCADHN COC[C@@H]1CCN1C[C@@H](OC)[C@H]1CCOC1 ZINC000660629886 411606254 /nfs/dbraw/zinc/60/62/54/411606254.db2.gz MPUQDWCUMXXGKN-SDDRHHMPSA-N 0 3 229.320 0.759 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1COC2(CCC2)C1 ZINC000657827178 411608254 /nfs/dbraw/zinc/60/82/54/411608254.db2.gz YSEOZZIIGKYGTD-UWVGGRQHSA-N 0 3 226.320 0.812 20 0 BCADHN COc1cc(CN[C@@H](C)Cn2cncn2)ccn1 ZINC000657831690 411609169 /nfs/dbraw/zinc/60/91/69/411609169.db2.gz FYEPKGYAKMXWIO-JTQLQIEISA-N 0 3 247.302 0.860 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@H](COC)OC ZINC000660643618 411610837 /nfs/dbraw/zinc/61/08/37/411610837.db2.gz AULCOLIGCIHOJX-VXGBXAGGSA-N 0 3 230.352 0.674 20 0 BCADHN CNC(=O)CCN[C@@H]1CCCn2nccc21 ZINC000657850139 411612219 /nfs/dbraw/zinc/61/22/19/411612219.db2.gz PUJZYOZDDLKYEZ-SECBINFHSA-N 0 3 222.292 0.444 20 0 BCADHN CO[C@H](CN(C)C(C)(C)C(N)=O)[C@H]1CCOC1 ZINC000660648532 411612427 /nfs/dbraw/zinc/61/24/27/411612427.db2.gz UPUCVWCMUZLJRA-VHSXEESVSA-N 0 3 244.335 0.234 20 0 BCADHN CCO[C@@H](C)C(=O)N1CCCNCC1 ZINC000237023610 170471861 /nfs/dbraw/zinc/47/18/61/170471861.db2.gz WPBAPDAPOKQLOV-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CN(C)C(=O)CCN[C@H]1CCCn2nccc21 ZINC000657863393 411613450 /nfs/dbraw/zinc/61/34/50/411613450.db2.gz VALIWAUPUVZSEB-JTQLQIEISA-N 0 3 236.319 0.786 20 0 BCADHN C[C@@H]1[C@H](O)CCN1CCO[C@H]1CC1(F)F ZINC000660735653 411620022 /nfs/dbraw/zinc/62/00/22/411620022.db2.gz DPZGXALARRDSLV-HLTSFMKQSA-N 0 3 221.247 0.866 20 0 BCADHN CN(C[C@H]1COCCO1)C(C)(C)CO ZINC000660748282 411620920 /nfs/dbraw/zinc/62/09/20/411620920.db2.gz VFZVKCILNWDKRQ-VIFPVBQESA-N 0 3 203.282 0.105 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H]1CCC[C@@H]1O)N(C)C ZINC000133193146 411647695 /nfs/dbraw/zinc/64/76/95/411647695.db2.gz MPMWSTNRMOOZND-DCAQKATOSA-N 0 3 228.336 0.602 20 0 BCADHN CCO[C@H](CCNC(=O)[C@@H](C)N)C(C)C ZINC000121689003 170503747 /nfs/dbraw/zinc/50/37/47/170503747.db2.gz RBFMIIMVNSZEEC-NXEZZACHSA-N 0 3 216.325 0.901 20 0 BCADHN C[C@@H](CNc1ncnc2c1nnn2C)N(C)C ZINC000663399190 411648185 /nfs/dbraw/zinc/64/81/85/411648185.db2.gz UFOXEMZEBCHYBG-ZETCQYMHSA-N 0 3 235.295 0.120 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCCOCCF ZINC000663462996 411664661 /nfs/dbraw/zinc/66/46/61/411664661.db2.gz VHPCETHTOJBINX-VIFPVBQESA-N 0 3 241.328 0.385 20 0 BCADHN C[C@@H]1CN(CCc2c[nH]nn2)CC2(CCC2)O1 ZINC000660902151 411666137 /nfs/dbraw/zinc/66/61/37/411666137.db2.gz BXSUAGCHABJPEZ-SNVBAGLBSA-N 0 3 236.319 0.991 20 0 BCADHN CO[C@@H](CN(C)CCNC(C)=O)[C@H]1CCOC1 ZINC000660904510 411667107 /nfs/dbraw/zinc/66/71/07/411667107.db2.gz SBXHNEKEFYDWDM-RYUDHWBXSA-N 0 3 244.335 0.106 20 0 BCADHN CC[C@@H]1CN(CCc2c[nH]nn2)[C@@H](C)CO1 ZINC000660912823 411668274 /nfs/dbraw/zinc/66/82/74/411668274.db2.gz NJZDNIHNSGLMEK-GXSJLCMTSA-N 0 3 224.308 0.847 20 0 BCADHN O=C(c1ccsc1)N1CCOC2(CNC2)C1 ZINC000663484830 411669251 /nfs/dbraw/zinc/66/92/51/411669251.db2.gz VCDWSPXHFFWOJT-UHFFFAOYSA-N 0 3 238.312 0.563 20 0 BCADHN C[C@@H](C(=O)N1CCOC2(CNC2)C1)C1CC1 ZINC000663487375 411669929 /nfs/dbraw/zinc/66/99/29/411669929.db2.gz FURFKZCFQJYPIL-SECBINFHSA-N 0 3 224.304 0.233 20 0 BCADHN C[C@H](CO)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000314378656 411676002 /nfs/dbraw/zinc/67/60/02/411676002.db2.gz NUTDXUZDRNQXKI-UTUOFQBUSA-N 0 3 230.352 0.408 20 0 BCADHN CC(C)=CCCN[C@]1(C(N)=O)CCOC1 ZINC000660926717 411676626 /nfs/dbraw/zinc/67/66/26/411676626.db2.gz RDWAWUHNEBUZGE-LLVKDONJSA-N 0 3 212.293 0.577 20 0 BCADHN NC(=O)[C@]1(NCC2CC=CC2)CCOC1 ZINC000660926975 411677485 /nfs/dbraw/zinc/67/74/85/411677485.db2.gz VDDIJDKNYBCBMU-NSHDSACASA-N 0 3 210.277 0.187 20 0 BCADHN O=C1NCCN1CCN1C[C@@H]2CCCC[C@@H]21 ZINC000660930058 411681733 /nfs/dbraw/zinc/68/17/33/411681733.db2.gz FIRLKPUZIKLXET-QWRGUYRKSA-N 0 3 223.320 0.886 20 0 BCADHN OCCCN1CCC[C@@H]1CNc1cnccn1 ZINC000450596214 411687176 /nfs/dbraw/zinc/68/71/76/411687176.db2.gz NHRIIWFTUFDUBG-LLVKDONJSA-N 0 3 236.319 0.735 20 0 BCADHN CCN(CCO)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000314394500 411687610 /nfs/dbraw/zinc/68/76/10/411687610.db2.gz QKMJNANLAPNIJC-VXGBXAGGSA-N 0 3 230.352 0.410 20 0 BCADHN COC[C@@H](C)CN1CC[C@@H](F)[C@H](N)C1 ZINC000663505221 411688505 /nfs/dbraw/zinc/68/85/05/411688505.db2.gz JIRVCYLEAWRDOQ-IVZWLZJFSA-N 0 3 204.289 0.640 20 0 BCADHN c1[nH]nnc1CN1CC[C@]2(C1)CCCOC2 ZINC000660993481 411689595 /nfs/dbraw/zinc/68/95/95/411689595.db2.gz DYKJCEITNYBPHB-NSHDSACASA-N 0 3 222.292 0.807 20 0 BCADHN c1ccc(CN2CCOC3(CNC3)C2)nc1 ZINC000663512708 411694275 /nfs/dbraw/zinc/69/42/75/411694275.db2.gz KPLCSLPBQXJYBV-UHFFFAOYSA-N 0 3 219.288 0.256 20 0 BCADHN O[C@@H]1CCN(CCNc2ccc(F)cn2)C1 ZINC000624678196 411694653 /nfs/dbraw/zinc/69/46/53/411694653.db2.gz DMBYVNJXNYZRRN-SNVBAGLBSA-N 0 3 225.267 0.699 20 0 BCADHN CN(Cc1cnc[nH]1)C[C@H](O)Cn1cccn1 ZINC000661087637 411698806 /nfs/dbraw/zinc/69/88/06/411698806.db2.gz WLOIYDLUOYYWHY-NSHDSACASA-N 0 3 235.291 0.099 20 0 BCADHN CCc1nnc(N[C@@H]2CCN(CC)C2)nc1CC ZINC000389165070 411791512 /nfs/dbraw/zinc/79/15/12/411791512.db2.gz MJJFYVDXQUPFBJ-SNVBAGLBSA-N 0 3 249.362 1.503 20 0 BCADHN COc1ccc2c(c1)[nH]nc2NC(=O)[C@@H]1C[C@@H]1N ZINC000424164914 411731053 /nfs/dbraw/zinc/73/10/53/411731053.db2.gz AMEOIYQPCCDGNL-BDAKNGLRSA-N 0 3 246.270 0.857 20 0 BCADHN Cc1cnc(NCCN2CC[C@@H](O)C2)nc1C ZINC000624683762 411735186 /nfs/dbraw/zinc/73/51/86/411735186.db2.gz UMLJVWKHSMCMIH-LLVKDONJSA-N 0 3 236.319 0.572 20 0 BCADHN CCS(=O)(=O)CCNC[C@H]1CCCOC1 ZINC000038045635 170608634 /nfs/dbraw/zinc/60/86/34/170608634.db2.gz MWKKVPXSJRBOLE-SNVBAGLBSA-N 0 3 235.349 0.437 20 0 BCADHN C[C@H]1CC[C@@H](CNc2nccn3nnnc23)N1C ZINC000663859782 411763692 /nfs/dbraw/zinc/76/36/92/411763692.db2.gz YYARHOPCUWMVJQ-IUCAKERBSA-N 0 3 247.306 0.414 20 0 BCADHN CN(C)C[C@H](CO)Nc1ncncc1Cl ZINC000663909709 411771825 /nfs/dbraw/zinc/77/18/25/411771825.db2.gz AOCFPFUVKJYZOV-SSDOTTSWSA-N 0 3 230.699 0.464 20 0 BCADHN Cc1cc(C)nc(N[C@H](CO)CN(C)C)n1 ZINC000663910871 411772078 /nfs/dbraw/zinc/77/20/78/411772078.db2.gz QTCZLGMTACDNPF-JTQLQIEISA-N 0 3 224.308 0.428 20 0 BCADHN CCCc1nsc(N[C@H](CO)CN(C)C)n1 ZINC000663911088 411772778 /nfs/dbraw/zinc/77/27/78/411772778.db2.gz XFGIZRANYNFQER-QMMMGPOBSA-N 0 3 244.364 0.825 20 0 BCADHN COc1nc(C)cc(NCc2cn[nH]c2C)n1 ZINC000354514245 411772823 /nfs/dbraw/zinc/77/28/23/411772823.db2.gz VULQBZPVXKDCTJ-UHFFFAOYSA-N 0 3 233.275 1.437 20 0 BCADHN CCCc1nsc(N[C@@H](CO)CN(C)C)n1 ZINC000663911087 411773442 /nfs/dbraw/zinc/77/34/42/411773442.db2.gz XFGIZRANYNFQER-MRVPVSSYSA-N 0 3 244.364 0.825 20 0 BCADHN CNC(=O)CN1CCCC[C@@H]1[C@@H](C)CO ZINC000661436857 411774791 /nfs/dbraw/zinc/77/47/91/411774791.db2.gz XJCZCHBCAKICNH-VHSXEESVSA-N 0 3 214.309 0.215 20 0 BCADHN Cc1nc(NC[C@H](C)O)cc(NC[C@H](C)O)n1 ZINC000536646239 411775702 /nfs/dbraw/zinc/77/57/02/411775702.db2.gz CCFSCTPLCNZCOT-YUMQZZPRSA-N 0 3 240.307 0.370 20 0 BCADHN COc1nc(C)cc(N[C@H](C)CN(C)C)n1 ZINC000336672013 411776045 /nfs/dbraw/zinc/77/60/45/411776045.db2.gz HGKJWUPYHUYDQF-SECBINFHSA-N 0 3 224.308 1.156 20 0 BCADHN COC[C@@H](O)CN1CC2(CCC2)OC[C@@H]1C ZINC000661462999 411780485 /nfs/dbraw/zinc/78/04/85/411780485.db2.gz LZQDPAVCKUOTTK-QWRGUYRKSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@H](C(N)=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000661491209 411782776 /nfs/dbraw/zinc/78/27/76/411782776.db2.gz QJOVIZSHZSDXTD-IEBDPFPHSA-N 0 3 212.293 0.219 20 0 BCADHN CN(C)CCN(C)c1nc2ccccn2n1 ZINC000663680154 411721263 /nfs/dbraw/zinc/72/12/63/411721263.db2.gz NNQDACDFAMVIME-UHFFFAOYSA-N 0 3 219.292 0.727 20 0 BCADHN CC[C@@H](C(=O)NCCCOC)N(C)C ZINC000124442253 170663265 /nfs/dbraw/zinc/66/32/65/170663265.db2.gz JSLSKTGXVMWPAD-VIFPVBQESA-N 0 3 202.298 0.479 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)c1cn[nH]c1)N(C)C ZINC000270555911 170666654 /nfs/dbraw/zinc/66/66/54/170666654.db2.gz ZRNNJWODXKKCEL-WPRPVWTQSA-N 0 3 224.308 0.927 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000564991428 411728224 /nfs/dbraw/zinc/72/82/24/411728224.db2.gz VWVXKNKOKXTMAP-SECBINFHSA-N 0 3 236.319 1.456 20 0 BCADHN CC(C)(C)[C@H](CO)NCc1ccc(N)nc1 ZINC000647537700 411863994 /nfs/dbraw/zinc/86/39/94/411863994.db2.gz BBRZUZHJRCUVLJ-JTQLQIEISA-N 0 3 223.320 1.160 20 0 BCADHN CN1CC[C@@H]2CN(c3nc4ccccn4n3)C[C@@H]21 ZINC000663973451 411796380 /nfs/dbraw/zinc/79/63/80/411796380.db2.gz NUHUAUGWZLVNOX-MNOVXSKESA-N 0 3 243.314 0.870 20 0 BCADHN CCN(C)C[C@@H](O)CN1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661539852 411798384 /nfs/dbraw/zinc/79/83/84/411798384.db2.gz VWYKTEYMGFMGAO-IJLUTSLNSA-N 0 3 242.363 0.456 20 0 BCADHN O=C(N[C@H]1C[C@H](O)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000664129044 411865000 /nfs/dbraw/zinc/86/50/00/411865000.db2.gz NTHCOXUGBXHHMF-FXPVBKGRSA-N 0 3 239.319 0.046 20 0 BCADHN CC(C)OC[C@@H](O)CN(C)C[C@@H]1COCCO1 ZINC000661604365 411813684 /nfs/dbraw/zinc/81/36/84/411813684.db2.gz DTEHMSIVJWKENH-NWDGAFQWSA-N 0 3 247.335 0.120 20 0 BCADHN CCN(C)C(=O)CCN(C)C[C@@H]1COCCO1 ZINC000661604861 411813861 /nfs/dbraw/zinc/81/38/61/411813861.db2.gz MTWQIRHIMVVSOW-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H](C)[C@H]1O ZINC000661633688 411814808 /nfs/dbraw/zinc/81/48/08/411814808.db2.gz ZAJREYUUQULQDG-ZRUFSTJUSA-N 0 3 226.320 0.166 20 0 BCADHN CN(CCOC1CCC1)C[C@@H]1COCCO1 ZINC000661613102 411815629 /nfs/dbraw/zinc/81/56/29/411815629.db2.gz GHYWNFGSLQMWPR-GFCCVEGCSA-N 0 3 229.320 0.903 20 0 BCADHN CN(CCc1cncn1C)C[C@H]1COCCO1 ZINC000661611351 411815941 /nfs/dbraw/zinc/81/59/41/411815941.db2.gz JFMIOYXCXASZED-LBPRGKRZSA-N 0 3 239.319 0.310 20 0 BCADHN CN(C[C@@H]1COCCO1)[C@H]1COC(C)(C)C1 ZINC000661613344 411815982 /nfs/dbraw/zinc/81/59/82/411815982.db2.gz IUJWDJTWEYCQRN-GHMZBOCLSA-N 0 3 229.320 0.901 20 0 BCADHN CCC[C@H](O)CN(C)C[C@H]1COCCO1 ZINC000661614071 411817602 /nfs/dbraw/zinc/81/76/02/411817602.db2.gz NLLAATHVEIQKBV-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN CN(C[C@@H]1COCCO1)[C@H]1CCCOC1 ZINC000661614269 411818473 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0 3 242.319 0.002 20 0 BCADHN CC[C@@H]1COCCN1C(=O)N[C@@H](C)CN(C)C ZINC000358522349 171104522 /nfs/dbraw/zinc/10/45/22/171104522.db2.gz KHSAHNSHWLYOFX-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN CC[C@@H]1COCCN1C[C@@H]1CNCCO1 ZINC000043802321 171105232 /nfs/dbraw/zinc/10/52/32/171105232.db2.gz OLUHVUHFEZEXNG-MNOVXSKESA-N 0 3 214.309 0.086 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1CCS(=O)(=O)N(C)C ZINC000336678878 171117747 /nfs/dbraw/zinc/11/77/47/171117747.db2.gz WQDVGLUTJRMNKO-GHMZBOCLSA-N 0 3 248.392 0.998 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1CC(=O)NCC(=O)OC ZINC000330959040 171118561 /nfs/dbraw/zinc/11/85/61/171118561.db2.gz XDKGOMOBKSSHCY-NXEZZACHSA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@@H]1C[C@H](CNC2(C(N)=O)CC2)CCO1 ZINC000336729585 171130733 /nfs/dbraw/zinc/13/07/33/171130733.db2.gz HUDPNWYPPZWQKE-NXEZZACHSA-N 0 3 226.320 0.799 20 0 BCADHN CCC(CC)CN1C[C@H](O)C[C@H]1C(N)=O ZINC000665048732 412067672 /nfs/dbraw/zinc/06/76/72/412067672.db2.gz OIWHRLPUGHVMRV-ZJUUUORDSA-N 0 3 214.309 0.343 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC000333642169 171135880 /nfs/dbraw/zinc/13/58/80/171135880.db2.gz UOXUCQFCEPDQCC-NXEZZACHSA-N 0 3 239.319 0.169 20 0 BCADHN CCC[C@@H]1CN(C[C@@H]2CNCCO2)CCO1 ZINC000662278698 412070852 /nfs/dbraw/zinc/07/08/52/412070852.db2.gz KOGVQBWHPNSLBW-NEPJUHHUSA-N 0 3 228.336 0.476 20 0 BCADHN CC[C@@](C)(O)CNC(=O)NC[C@@H]1CCCN1C ZINC000334002694 171182101 /nfs/dbraw/zinc/18/21/01/171182101.db2.gz WLEQOKXLNBUODL-CMPLNLGQSA-N 0 3 243.351 0.541 20 0 BCADHN CC[C@@]1(C)C[C@H]1C(=O)N(CCO)CCOC ZINC000342240608 171207345 /nfs/dbraw/zinc/20/73/45/171207345.db2.gz FSUYFFYYCMFQIV-JQWIXIFHSA-N 0 3 229.320 0.890 20 0 BCADHN CC[C@@]1(O)CCN([C@@H](C)C(=O)NC2CC2)C1 ZINC000331866678 171214259 /nfs/dbraw/zinc/21/42/59/171214259.db2.gz JMZNTZKYJDGTID-JOYOIKCWSA-N 0 3 226.320 0.500 20 0 BCADHN CC[C@@]1(O)CCN([C@@H](C)C(=O)N(C)C)C1 ZINC000336592151 171214705 /nfs/dbraw/zinc/21/47/05/171214705.db2.gz QFSXJQKJHKKQEV-GXSJLCMTSA-N 0 3 214.309 0.310 20 0 BCADHN CC[C@H](C(=O)N(C)Cc1cnn(C)c1)N(C)C ZINC000124761842 171222096 /nfs/dbraw/zinc/22/20/96/171222096.db2.gz XSYQVHLKTNPLMJ-LLVKDONJSA-N 0 3 238.335 0.719 20 0 BCADHN CC[C@H](C(=O)N(CC)CCO)N(CC)CC ZINC000340589042 171222328 /nfs/dbraw/zinc/22/23/28/171222328.db2.gz GINSHZLKVNLRKQ-LLVKDONJSA-N 0 3 230.352 0.948 20 0 BCADHN CC[C@H](C(=O)N(C)C[C@H](C)O)N(C)C ZINC000122029734 171222553 /nfs/dbraw/zinc/22/25/53/171222553.db2.gz VJSZYWFEYQWMSR-DTWKUNHWSA-N 0 3 202.298 0.166 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H](CO)C1)N(C)C ZINC000340315638 171226473 /nfs/dbraw/zinc/22/64/73/171226473.db2.gz JKZSFFQUJSBATB-NXEZZACHSA-N 0 3 214.309 0.167 20 0 BCADHN CC[C@H](C(=O)NCC1(O)CCCC1)N(C)C ZINC000305162291 171227422 /nfs/dbraw/zinc/22/74/22/171227422.db2.gz XKLZZKQRYAUOJI-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@H](C(=O)NCC(C)(C)O)N(C)C ZINC000125384251 171227449 /nfs/dbraw/zinc/22/74/49/171227449.db2.gz JTVPTDXXRZWOMV-MRVPVSSYSA-N 0 3 202.298 0.214 20 0 BCADHN CC[C@H](C(=O)NCCN(C)CC)C(=O)OC ZINC000338817039 171228551 /nfs/dbraw/zinc/22/85/51/171228551.db2.gz VLBOHFSDQKMOKB-SECBINFHSA-N 0 3 230.308 0.254 20 0 BCADHN CC[C@H](C(=O)NCCn1ccnc1)N(C)C ZINC000133438378 171228793 /nfs/dbraw/zinc/22/87/93/171228793.db2.gz WXUQLJAXTJRUSP-SNVBAGLBSA-N 0 3 224.308 0.340 20 0 BCADHN CC[C@H](C(=O)NCC[C@H](O)C(C)C)N(C)C ZINC000305113919 171228810 /nfs/dbraw/zinc/22/88/10/171228810.db2.gz HEKVFPOHQPXGNJ-MNOVXSKESA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1CCCO1)N(C)C ZINC000124418150 171229149 /nfs/dbraw/zinc/22/91/49/171229149.db2.gz KIMGDJRIDPEPOR-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](O)C(C)C)N(C)C ZINC000305187997 171229270 /nfs/dbraw/zinc/22/92/70/171229270.db2.gz UMVXJLKQEUFFQR-NXEZZACHSA-N 0 3 216.325 0.460 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)N(C)C)C(=O)OC ZINC000338757551 171229399 /nfs/dbraw/zinc/22/93/99/171229399.db2.gz UNKUAJGAWFFTMJ-RKDXNWHRSA-N 0 3 230.308 0.252 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCCN1CC)[C@H](C)O ZINC000357621212 171229473 /nfs/dbraw/zinc/22/94/73/171229473.db2.gz NIZQUVUTOXTWLE-SRVKXCTJSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)C(=O)OC)N(C)C ZINC000360544800 171229568 /nfs/dbraw/zinc/22/95/68/171229568.db2.gz RCNIROCEUBNUGD-RKDXNWHRSA-N 0 3 230.308 0.252 20 0 BCADHN CC[C@H](C(=O)NCc1cc(C)no1)N(C)C ZINC000165409165 171230463 /nfs/dbraw/zinc/23/04/63/171230463.db2.gz LRCIZNXSZQWVTR-SNVBAGLBSA-N 0 3 225.292 0.939 20 0 BCADHN CC[C@H](C(=O)NCc1ncc(C)o1)N(C)C ZINC000268831680 171230970 /nfs/dbraw/zinc/23/09/70/171230970.db2.gz CFXVYOHOTLQGGD-SECBINFHSA-N 0 3 225.292 0.939 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)CCO)N(C)C ZINC000121049454 171232050 /nfs/dbraw/zinc/23/20/50/171232050.db2.gz GCXWYXFWAXCFAX-DTWKUNHWSA-N 0 3 202.298 0.214 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CO)COC)N(CC)CC ZINC000357717504 171232249 /nfs/dbraw/zinc/23/22/49/171232249.db2.gz RIZWFURUZPCIJL-WDEREUQCSA-N 0 3 246.351 0.230 20 0 BCADHN CC[C@H](C(=O)N[C@H](CO)CC1CCC1)N(C)C ZINC000359340918 171234255 /nfs/dbraw/zinc/23/42/55/171234255.db2.gz MGAXKMCTNLNSOE-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@H]1C[C@H](C)O ZINC000252699061 171242455 /nfs/dbraw/zinc/24/24/55/171242455.db2.gz QRDYMDGMIVDGPJ-IVZWLZJFSA-N 0 3 214.309 0.486 20 0 BCADHN CC[C@H](C(N)=O)N(C)C[C@H]1CCOC1 ZINC000246829423 171242827 /nfs/dbraw/zinc/24/28/27/171242827.db2.gz BAKPWARROWEOKS-RKDXNWHRSA-N 0 3 200.282 0.219 20 0 BCADHN CC[C@H](C(N)=O)N(C)C[C@@H]1CCCOC1 ZINC000104352639 171243145 /nfs/dbraw/zinc/24/31/45/171243145.db2.gz ZYDWUEIYQLQJKY-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@H](C(N)=O)N1CCC([C@H]2CCOC2)CC1 ZINC000368262319 171243839 /nfs/dbraw/zinc/24/38/39/171243839.db2.gz GHFZKADEBKDALA-NWDGAFQWSA-N 0 3 240.347 0.999 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H](N(C)C)C1 ZINC000109806378 171244998 /nfs/dbraw/zinc/24/49/98/171244998.db2.gz FYESGHBIDFGEAW-VHSXEESVSA-N 0 3 213.325 0.276 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000366660734 171245191 /nfs/dbraw/zinc/24/51/91/171245191.db2.gz ZQGKKHSIAYASNN-GMTAPVOTSA-N 0 3 226.320 0.609 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000378448027 171245332 /nfs/dbraw/zinc/24/53/32/171245332.db2.gz CPOUSYPUQPDJAX-GMTAPVOTSA-N 0 3 225.336 0.276 20 0 BCADHN CC[C@H](C)C(=O)NCCCN1CCC(O)CC1 ZINC000304236004 171250534 /nfs/dbraw/zinc/25/05/34/171250534.db2.gz KIVGXOJLHWUKHF-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](NC[C@@H]1CNCCO1)c1ccccn1 ZINC000662284580 412074613 /nfs/dbraw/zinc/07/46/13/412074613.db2.gz ZEDGYKIXXWIKKP-QWRGUYRKSA-N 0 3 221.304 0.721 20 0 BCADHN CC[C@H](C)CC(=O)NCC1(O)CCN(C)CC1 ZINC000359427654 171260474 /nfs/dbraw/zinc/26/04/74/171260474.db2.gz OYBPRZMLPXHIPN-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C)CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000359758794 171260667 /nfs/dbraw/zinc/26/06/67/171260667.db2.gz OKUSNOQFELPLQH-CMPLNLGQSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](C)CN(C)CCNS(C)(=O)=O ZINC000111253574 171273411 /nfs/dbraw/zinc/27/34/11/171273411.db2.gz DAGNUMYFUFRZQM-VIFPVBQESA-N 0 3 222.354 0.514 20 0 BCADHN CC[C@H](C)CN1CCN2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000378125464 171280386 /nfs/dbraw/zinc/28/03/86/171280386.db2.gz JGRKSEKQFUJAMU-UWVGGRQHSA-N 0 3 239.319 0.611 20 0 BCADHN COC[C@H](OC)C(=O)N(C)C1CCN(C)CC1 ZINC000665075791 412083019 /nfs/dbraw/zinc/08/30/19/412083019.db2.gz WXTNVXYYZYSFOL-NSHDSACASA-N 0 3 244.335 0.200 20 0 BCADHN CC[C@H](C)N(CCO)CC(=O)N(C)C1CC1 ZINC000336677959 171313885 /nfs/dbraw/zinc/31/38/85/171313885.db2.gz WMAQXWVETFJQCC-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@H](C)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000337247696 171318485 /nfs/dbraw/zinc/31/84/85/171318485.db2.gz KKTSGTFABVTYAC-JTQLQIEISA-N 0 3 227.352 0.666 20 0 BCADHN CC[C@H](C)N1CCN(C[C@H]2COCCO2)CC1 ZINC000337242877 171318623 /nfs/dbraw/zinc/31/86/23/171318623.db2.gz GTWUPUGADIMDIH-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN CC[C@H](C)N1CCN(C[C@@H]2COCCO2)CC1 ZINC000337242876 171318793 /nfs/dbraw/zinc/31/87/93/171318793.db2.gz GTWUPUGADIMDIH-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN CC[C@H](C)NC(=O)CCNC(=O)C(C)(C)N ZINC000040924285 171322365 /nfs/dbraw/zinc/32/23/65/171322365.db2.gz LLEPDMOCPNQFOQ-QMMMGPOBSA-N 0 3 229.324 0.145 20 0 BCADHN CC[C@H](C)NC(=O)CN(C[C@@H](C)O)C(C)C ZINC000340780230 171323604 /nfs/dbraw/zinc/32/36/04/171323604.db2.gz DFUCIVFMWGOZFO-WDEREUQCSA-N 0 3 230.352 0.992 20 0 BCADHN CC[C@H](C)NC(=O)CN1CCC[C@@H]1CCO ZINC000303740621 171325802 /nfs/dbraw/zinc/32/58/02/171325802.db2.gz DHRRIKAFCMKEJE-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N1C[C@H](C)[C@@H](CO)C1 ZINC000362093681 171334537 /nfs/dbraw/zinc/33/45/37/171334537.db2.gz FPBOYRBALXMGBG-FIQHERPVSA-N 0 3 242.363 0.850 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCN[C@@H](C)C1 ZINC000237041044 171369412 /nfs/dbraw/zinc/36/94/12/171369412.db2.gz ZSVVSUPYOKMEHC-LPEHRKFASA-N 0 3 213.325 0.180 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCc1ccnn1C ZINC000070905827 171370611 /nfs/dbraw/zinc/37/06/11/171370611.db2.gz GHWPPVKZVDOJMN-WCBMZHEXSA-N 0 3 224.308 0.410 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)c1nc(C)no1 ZINC000353563191 171371407 /nfs/dbraw/zinc/37/14/07/171371407.db2.gz NELOJDFHRKKIJK-LKEWCRSYSA-N 0 3 240.307 0.929 20 0 BCADHN CC[C@H](C)[C@@H](NC(=O)[C@@H](C)N)C(=O)OC ZINC000037044925 171373219 /nfs/dbraw/zinc/37/32/19/171373219.db2.gz UEWPOYCHGCGVJS-XLPZGREQSA-N 0 3 216.281 0.038 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)CCCC(=O)NC ZINC000236991029 171392797 /nfs/dbraw/zinc/39/27/97/171392797.db2.gz ZENCBSTYMZBCIZ-ONGXEEELSA-N 0 3 243.351 0.344 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)CC(=O)NC1CC1 ZINC000036134663 171393501 /nfs/dbraw/zinc/39/35/01/171393501.db2.gz IEWIHXDIUDZZLT-KWQFWETISA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCN(C(C)=O)CC1 ZINC000011959344 171393966 /nfs/dbraw/zinc/39/39/66/171393966.db2.gz NHJXFHMUJQMWGM-ONGXEEELSA-N 0 3 241.335 0.051 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(CC)CC(=O)N(C)C ZINC000036200291 171394000 /nfs/dbraw/zinc/39/40/00/171394000.db2.gz HKIHDLMQOBOKPT-ONGXEEELSA-N 0 3 243.351 0.297 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCCOCCOC ZINC000040829903 171394796 /nfs/dbraw/zinc/39/47/96/171394796.db2.gz CQILPLSECOIRAP-QWRGUYRKSA-N 0 3 246.351 0.529 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1cnn(C)c1 ZINC000041055038 171394936 /nfs/dbraw/zinc/39/49/36/171394936.db2.gz SBBJLDBTYIOPHU-WPRPVWTQSA-N 0 3 224.308 0.410 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)CCO ZINC000133135842 171394972 /nfs/dbraw/zinc/39/49/72/171394972.db2.gz ZTRSBYMNENEOAF-CIUDSAMLSA-N 0 3 202.298 0.247 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCn1cc(C)cn1 ZINC000182223540 171395359 /nfs/dbraw/zinc/39/53/59/171395359.db2.gz CSBWWGNJVDDXKK-QWRGUYRKSA-N 0 3 238.335 0.681 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)CCOC ZINC000081711055 171395558 /nfs/dbraw/zinc/39/55/58/171395558.db2.gz HUCLCNGHBOFPGD-AEJSXWLSSA-N 0 3 216.325 0.901 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)COC ZINC000041679408 171396012 /nfs/dbraw/zinc/39/60/12/171396012.db2.gz ZHLDBXCERGLHTH-UTLUCORTSA-N 0 3 216.325 0.759 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000157428467 171395810 /nfs/dbraw/zinc/39/58/10/171395810.db2.gz YCVGMMSVFYEAHR-QXEWZRGKSA-N 0 3 238.335 0.971 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)COC ZINC000040458058 171395995 /nfs/dbraw/zinc/39/59/95/171395995.db2.gz SXADYJDCQQIOTL-YIZRAAEISA-N 0 3 202.298 0.511 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1cccnn1 ZINC000415252812 412140094 /nfs/dbraw/zinc/14/00/94/412140094.db2.gz AUGZTCJDNDIPKT-DTWKUNHWSA-N 0 3 235.291 0.691 20 0 BCADHN CN(CC1=CCCOC1)C[C@@H]1CNCCO1 ZINC000662305542 412086033 /nfs/dbraw/zinc/08/60/33/412086033.db2.gz IYRXSDRMKOSZPN-LBPRGKRZSA-N 0 3 226.320 0.253 20 0 BCADHN CCc1cc(=O)[n-]c(CN2CC3CC2(C[NH3+])C3)n1 ZINC000662303834 412088292 /nfs/dbraw/zinc/08/82/92/412088292.db2.gz IARQTFPAZYXCEK-UHFFFAOYSA-N 0 3 248.330 0.668 20 0 BCADHN C[C@@H]1CCN(C[C@@H]2CNCCO2)C[C@H](C)O1 ZINC000662315212 412095994 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/nfs/dbraw/zinc/21/49/51/412214951.db2.gz HJVRMHYOBBLQJK-YUMQZZPRSA-N 0 3 222.292 0.726 20 0 BCADHN O=C(NC1CCOCC1)C1(NC2CC2)CCC1 ZINC000662490334 412192714 /nfs/dbraw/zinc/19/27/14/412192714.db2.gz NEJBRBYGEBPDAJ-UHFFFAOYSA-N 0 3 238.331 0.956 20 0 BCADHN CC[C@H](NC)C(=O)N(C)c1cnn(C)c1 ZINC000662488980 412192755 /nfs/dbraw/zinc/19/27/55/412192755.db2.gz CHLRYGNFMZEPAR-VIFPVBQESA-N 0 3 210.281 0.381 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1cc(C(N)=O)n(C)c1 ZINC000662490043 412192863 /nfs/dbraw/zinc/19/28/63/412192863.db2.gz IDFSACKVBDKYSI-MRVPVSSYSA-N 0 3 238.291 0.061 20 0 BCADHN O=C(NCC1(CO)CC1)c1cccc2c1CNC2 ZINC000662499940 412196135 /nfs/dbraw/zinc/19/61/35/412196135.db2.gz BKVJCPQOFUDCTC-UHFFFAOYSA-N 0 3 246.310 0.792 20 0 BCADHN CC(C)NCC(=O)N(C)CCNC(=O)C(C)C ZINC000662508335 412199116 /nfs/dbraw/zinc/19/91/16/412199116.db2.gz AJNSVIMGEBKDPO-UHFFFAOYSA-N 0 3 243.351 0.215 20 0 BCADHN C[C@H](CN(C)C)Nc1nnc(C2CC2)o1 ZINC000336725376 412201119 /nfs/dbraw/zinc/20/11/19/412201119.db2.gz GJNDNGMSBMHBHP-SSDOTTSWSA-N 0 3 210.281 1.309 20 0 BCADHN CC[C@H]1C[C@H](NC(=O)[C@H](C)NC)CCO1 ZINC000662521116 412203149 /nfs/dbraw/zinc/20/31/49/412203149.db2.gz IYYPJPUHLBHIHK-AEJSXWLSSA-N 0 3 214.309 0.668 20 0 BCADHN CC[C@H](NC)C(=O)Nc1cnc(C)nc1 ZINC000662528268 412206080 /nfs/dbraw/zinc/20/60/80/412206080.db2.gz MWSPJGVIHAZAPH-VIFPVBQESA-N 0 3 208.265 0.722 20 0 BCADHN COC[C@@H]1CN(C(=O)CNC(C)C)C[C@@H](C)O1 ZINC000662535989 412208279 /nfs/dbraw/zinc/20/82/79/412208279.db2.gz JMABNSYHWRKTCD-MNOVXSKESA-N 0 3 244.335 0.247 20 0 BCADHN CC(C)[NH2+]CC(=O)NCc1nc2cccnc2[n-]1 ZINC000662538297 412208916 /nfs/dbraw/zinc/20/89/16/412208916.db2.gz WBEJLMWYWRYMNZ-UHFFFAOYSA-N 0 3 247.302 0.572 20 0 BCADHN CC[C@H](NC)C(=O)Nc1nc2cccnc2n1C ZINC000662541260 412209599 /nfs/dbraw/zinc/20/95/99/412209599.db2.gz GBPCHCKVZHOCMU-QMMMGPOBSA-N 0 3 247.302 0.905 20 0 BCADHN CC[C@@H](NC)C(=O)NC(CC)(CC)C(N)=O ZINC000662552511 412213264 /nfs/dbraw/zinc/21/32/64/412213264.db2.gz CXUPRXUOHSLXTL-MRVPVSSYSA-N 0 3 229.324 0.145 20 0 BCADHN COC[C@@H](OC)C(=O)Nc1cccc(CN)c1 ZINC000662393412 412143690 /nfs/dbraw/zinc/14/36/90/412143690.db2.gz SPPDELFEVZRXBB-LLVKDONJSA-N 0 3 238.287 0.745 20 0 BCADHN O=C(c1ncnc2[nH]ccc21)N1CCCNCC1 ZINC000662395057 412144898 /nfs/dbraw/zinc/14/48/98/412144898.db2.gz BDJWDPXQPDQOQZ-UHFFFAOYSA-N 0 3 245.286 0.345 20 0 BCADHN C[C@@H]1C[C@@H](NCCNc2cnccn2)CO1 ZINC000647191815 412147933 /nfs/dbraw/zinc/14/79/33/412147933.db2.gz BWBXEZIIMQOUHN-NXEZZACHSA-N 0 3 222.292 0.656 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)Nc2ccon2)CCN1C ZINC000335323689 412148030 /nfs/dbraw/zinc/14/80/30/412148030.db2.gz QVHWLARQDQLNML-BDAKNGLRSA-N 0 3 238.291 1.279 20 0 BCADHN CN(C)C/C=C\C(=O)NCCNc1cnccn1 ZINC000491891234 412152005 /nfs/dbraw/zinc/15/20/05/412152005.db2.gz YVUVXEXPKLDRDZ-ARJAWSKDSA-N 0 3 249.318 0.123 20 0 BCADHN C[C@@H]1C[C@H](Nc2ccc(=O)n(C)n2)CN1C1CC1 ZINC000413180600 412160777 /nfs/dbraw/zinc/16/07/77/412160777.db2.gz DFKOUVFRTSEOID-ZJUUUORDSA-N 0 3 248.330 0.817 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC ZINC000662420723 412161458 /nfs/dbraw/zinc/16/14/58/412161458.db2.gz VELFPXBJLOVFQV-HRDYMLBCSA-N 0 3 229.324 0.014 20 0 BCADHN CN(C)CCNC(=O)Nc1ccc(C2CC2)nn1 ZINC000331516894 412161630 /nfs/dbraw/zinc/16/16/30/412161630.db2.gz RYDRXWMACOUWJU-UHFFFAOYSA-N 0 3 249.318 1.037 20 0 BCADHN C[C@@H]1C[C@H]1c1cc(NC(=O)[C@@H]2CCN(C)C2)n[nH]1 ZINC000591450866 412161875 /nfs/dbraw/zinc/16/18/75/412161875.db2.gz YHUOZDCYEQRVNB-OPRDCNLKSA-N 0 3 248.330 1.423 20 0 BCADHN CC(C)NCC(=O)N1CCN(CC(F)F)CC1 ZINC000662426383 412165381 /nfs/dbraw/zinc/16/53/81/412165381.db2.gz RQLPNLJNBXQIJZ-UHFFFAOYSA-N 0 3 249.305 0.394 20 0 BCADHN C[C@@H]1[C@@H](Nc2ccc3nncn3n2)CCCN1C ZINC000450441771 412168274 /nfs/dbraw/zinc/16/82/74/412168274.db2.gz RRUSCXFDHAAORL-ZJUUUORDSA-N 0 3 246.318 1.019 20 0 BCADHN CN1CCN(C(=O)[C@@H]2CCC2(C)C)[C@@H](CN)C1 ZINC000662430064 412168709 /nfs/dbraw/zinc/16/87/09/412168709.db2.gz UHWKKFBNCWWEQK-QWRGUYRKSA-N 0 3 239.363 0.524 20 0 BCADHN NC1(C(=O)NCCO[C@H]2CC2(F)F)CCC1 ZINC000662646852 412254897 /nfs/dbraw/zinc/25/48/97/412254897.db2.gz PAFCHLQGPOWCBE-ZETCQYMHSA-N 0 3 234.246 0.408 20 0 BCADHN CN1CC[C@H](C(=O)Nc2cc(C3CC3)n(C)n2)C1 ZINC000335844340 412256270 /nfs/dbraw/zinc/25/62/70/412256270.db2.gz ROLILFMXKPBMAQ-JTQLQIEISA-N 0 3 248.330 1.188 20 0 BCADHN CC(C)(N)C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000335397085 412257058 /nfs/dbraw/zinc/25/70/58/412257058.db2.gz JMPXQPWFZUCFQE-UHFFFAOYSA-N 0 3 208.265 0.963 20 0 BCADHN CN(CC1=CCCOC1)C(=O)[C@H](N)C1CCC1 ZINC000662662291 412262469 /nfs/dbraw/zinc/26/24/69/412262469.db2.gz PJNLRNNZXNOESF-GFCCVEGCSA-N 0 3 238.331 0.919 20 0 BCADHN CC(C)(F)CCNC(=O)C[C@@H]1CNCCO1 ZINC000662662517 412262542 /nfs/dbraw/zinc/26/25/42/412262542.db2.gz GGPMFBNSMYJETB-SECBINFHSA-N 0 3 232.299 0.619 20 0 BCADHN CC[C@H](N)C(=O)NCc1nccc(OC)c1F ZINC000662668905 412265599 /nfs/dbraw/zinc/26/55/99/412265599.db2.gz SDZHPQSNLCQVQU-ZETCQYMHSA-N 0 3 241.266 0.583 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)Nc2cccnn2)CCN1C ZINC000358496605 412267672 /nfs/dbraw/zinc/26/76/72/412267672.db2.gz QHKPNXGNEOKRDN-UWVGGRQHSA-N 0 3 249.318 1.081 20 0 BCADHN C[C@H]1C[C@H](NC(=O)Nc2cccnn2)CCN1C ZINC000358496606 412269992 /nfs/dbraw/zinc/26/99/92/412269992.db2.gz QHKPNXGNEOKRDN-VHSXEESVSA-N 0 3 249.318 1.081 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000662689406 412272066 /nfs/dbraw/zinc/27/20/66/412272066.db2.gz GIGGCANBWOSFHX-QXEWZRGKSA-N 0 3 212.293 0.219 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000662692341 412272823 /nfs/dbraw/zinc/27/28/23/412272823.db2.gz WGVKSMRISKGFLN-HOSYDEDBSA-N 0 3 226.320 0.465 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCC(=O)N(C)CC1 ZINC000662694669 412274114 /nfs/dbraw/zinc/27/41/14/412274114.db2.gz ALPOWZBCRLCKRY-GFCCVEGCSA-N 0 3 241.335 0.195 20 0 BCADHN O=C(C[C@@H]1CSCCN1)N1CC[C@H]2C[C@H]2C1 ZINC000662704451 412276667 /nfs/dbraw/zinc/27/66/67/412276667.db2.gz IIQMBXHZYCDIBP-GARJFASQSA-N 0 3 240.372 0.950 20 0 BCADHN CCCN1CC[C@H](NC(=O)CC(F)(F)CN)C1 ZINC000662703865 412276958 /nfs/dbraw/zinc/27/69/58/412276958.db2.gz PGFTYPRVKABFBE-VIFPVBQESA-N 0 3 249.305 0.571 20 0 BCADHN O=C(CNC1CC1)N1CC[C@H]2COC[C@@H]2C1 ZINC000662712001 412280015 /nfs/dbraw/zinc/28/00/15/412280015.db2.gz PNRFZHHBYLOFME-UWVGGRQHSA-N 0 3 224.304 0.233 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000423211834 412282088 /nfs/dbraw/zinc/28/20/88/412282088.db2.gz ZEXCXKBNYBEVNG-JCIQBVFBSA-N 0 3 238.331 0.811 20 0 BCADHN C[C@@H](CO)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665361014 412287063 /nfs/dbraw/zinc/28/70/63/412287063.db2.gz HMDSKBJXBHQLFH-VHSXEESVSA-N 0 3 243.351 0.539 20 0 BCADHN Cc1c(NC(=O)[C@H](C)N)n[nH]c1-c1ccncc1 ZINC000370778906 412287284 /nfs/dbraw/zinc/28/72/84/412287284.db2.gz IFWUNNHRDKCZMC-QMMMGPOBSA-N 0 3 245.286 1.066 20 0 BCADHN CC[C@H]1CCCN(C(=O)[C@H](CN)OC)C1 ZINC000227350819 171614754 /nfs/dbraw/zinc/61/47/54/171614754.db2.gz SOVRPHRHVUYVQZ-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)C(N)C(F)(F)F ZINC000662586190 412227329 /nfs/dbraw/zinc/22/73/29/412227329.db2.gz QGJMKMIHWOKOHM-ZCFIWIBFSA-N 0 3 236.197 0.258 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)CNC1CC1 ZINC000662585565 412229949 /nfs/dbraw/zinc/22/99/49/412229949.db2.gz KKIPXGZWYGWYPJ-UHFFFAOYSA-N 0 3 208.265 0.120 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N(C)Cc1c[nH]cn1 ZINC000662585517 412230038 /nfs/dbraw/zinc/23/00/38/412230038.db2.gz JPQUNYAKMCISOP-SNVBAGLBSA-N 0 3 224.308 0.742 20 0 BCADHN CC[C@H](N)C(=O)NCc1cccc(N)c1 ZINC000662612966 412241984 /nfs/dbraw/zinc/24/19/84/412241984.db2.gz DWWJJSWJXMNLFA-JTQLQIEISA-N 0 3 207.277 0.622 20 0 BCADHN COC[C@@H](CCNC(=O)[C@H](N)C(C)C)OC ZINC000662617219 412242851 /nfs/dbraw/zinc/24/28/51/412242851.db2.gz MJOXYQOLLGZFDI-NXEZZACHSA-N 0 3 232.324 0.137 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCC[C@@H](COC)OC ZINC000662618456 412244286 /nfs/dbraw/zinc/24/42/86/412244286.db2.gz XPDKOGUXTGQBTG-CMPLNLGQSA-N 0 3 246.351 0.672 20 0 BCADHN CCC[C@](C)(N)C(=O)NCC[C@H](COC)OC ZINC000662618460 412244586 /nfs/dbraw/zinc/24/45/86/412244586.db2.gz XPDKOGUXTGQBTG-PWSUYJOCSA-N 0 3 246.351 0.672 20 0 BCADHN CN1CCC(Nc2cc(C#N)cnn2)CC1 ZINC000396942657 412245805 /nfs/dbraw/zinc/24/58/05/412245805.db2.gz VARBJXSWUHJGIH-UHFFFAOYSA-N 0 3 217.276 0.854 20 0 BCADHN CC[C@H](C)CCNC(=O)C[C@H]1CNCCO1 ZINC000662626528 412247506 /nfs/dbraw/zinc/24/75/06/412247506.db2.gz IQFVFJGHRNWAPM-QWRGUYRKSA-N 0 3 228.336 0.917 20 0 BCADHN CN1CCC[C@H](CNc2cc(C#N)cnn2)C1 ZINC000396913280 412252219 /nfs/dbraw/zinc/25/22/19/412252219.db2.gz QQTCTUOTKYYZIO-SNVBAGLBSA-N 0 3 231.303 1.102 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1ccn(CC)n1 ZINC000662642329 412253536 /nfs/dbraw/zinc/25/35/36/412253536.db2.gz ZAEBBAXDGCTPOH-MRVPVSSYSA-N 0 3 210.281 0.840 20 0 BCADHN N[C@H](C(=O)NCCO[C@@H]1CC1(F)F)C1CCC1 ZINC000662645040 412253823 /nfs/dbraw/zinc/25/38/23/412253823.db2.gz HGZLOVIQHSVJEQ-BDAKNGLRSA-N 0 3 248.273 0.654 20 0 BCADHN C[C@@H](CNC(=O)c1ncccc1N)N1CCCC1 ZINC000132822752 412306789 /nfs/dbraw/zinc/30/67/89/412306789.db2.gz BDPQKQGGLJYQIT-JTQLQIEISA-N 0 3 248.330 0.878 20 0 BCADHN C[C@H]1CN(C(=O)CN)C[C@@](C)(C(F)F)O1 ZINC000663001845 412366291 /nfs/dbraw/zinc/36/62/91/412366291.db2.gz YSJXDTSRUGITTH-RCOVLWMOSA-N 0 3 222.235 0.216 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2ncccc2N)CCN1C ZINC000132825109 412309795 /nfs/dbraw/zinc/30/97/95/412309795.db2.gz XHNFXXUALJDRMQ-NXEZZACHSA-N 0 3 248.330 0.876 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1COC(C)(C)C1 ZINC000665407613 412312977 /nfs/dbraw/zinc/31/29/77/412312977.db2.gz RGIZAEHPGAQOBS-VIFPVBQESA-N 0 3 229.324 0.415 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C2(NC3CC3)CCC2)CO1 ZINC000662825430 412313250 /nfs/dbraw/zinc/31/32/50/412313250.db2.gz UOKXUHGDBZWSPH-GXSJLCMTSA-N 0 3 238.331 0.955 20 0 BCADHN CN(C)CCNC(=O)N[C@H]1COC(C)(C)C1 ZINC000665407612 412313463 /nfs/dbraw/zinc/31/34/63/412313463.db2.gz RGIZAEHPGAQOBS-SECBINFHSA-N 0 3 229.324 0.415 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NCCOCCF)C1 ZINC000663003116 412366488 /nfs/dbraw/zinc/36/64/88/412366488.db2.gz JTMONENIKZQSHZ-NXEZZACHSA-N 0 3 232.299 0.477 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)[C@H]1NCC1(C)C ZINC000662832515 412315141 /nfs/dbraw/zinc/31/51/41/412315141.db2.gz HZPVVKBTHPUJLM-RKDXNWHRSA-N 0 3 214.309 0.118 20 0 BCADHN NCC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000662836781 412316812 /nfs/dbraw/zinc/31/68/12/412316812.db2.gz DIAVDCPMSHNMSX-NXEZZACHSA-N 0 3 211.309 0.078 20 0 BCADHN CCCC(=O)Nc1nn(C)c(C)c1CN ZINC000662839161 412317060 /nfs/dbraw/zinc/31/70/60/412317060.db2.gz OWJCEBKGOJUXLC-UHFFFAOYSA-N 0 3 210.281 0.926 20 0 BCADHN N[C@@H](C(=O)NCCOCCF)C1CCC1 ZINC000663002646 412366571 /nfs/dbraw/zinc/36/65/71/412366571.db2.gz GEDKUFXLBVNZIO-SECBINFHSA-N 0 3 218.272 0.216 20 0 BCADHN Cc1c(CN)c(NC(=O)CC2CC2)nn1C ZINC000662837382 412317446 /nfs/dbraw/zinc/31/74/46/412317446.db2.gz AGLNLFJGCPGMRF-UHFFFAOYSA-N 0 3 222.292 0.926 20 0 BCADHN Cc1c(CN)c(NC(=O)C2CCC2)nn1C ZINC000662839445 412318255 /nfs/dbraw/zinc/31/82/55/412318255.db2.gz SGLFMAPBEIZHRD-UHFFFAOYSA-N 0 3 222.292 0.926 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N(C)Cc2c[nH]cn2)C1 ZINC000662839736 412318786 /nfs/dbraw/zinc/31/87/86/412318786.db2.gz WMJXKQZXWUQIHZ-KOLCDFICSA-N 0 3 236.319 0.756 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@]12C[C@H]1CCC2 ZINC000662847343 412320261 /nfs/dbraw/zinc/32/02/61/412320261.db2.gz BFYUIGOYMRUDQW-CKYFFXLPSA-N 0 3 224.304 0.424 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N[C@H](CO)C1CCC1 ZINC000662848715 412320585 /nfs/dbraw/zinc/32/05/85/412320585.db2.gz FULNUWGLWZSEQJ-JGVFFNPUSA-N 0 3 236.262 0.246 20 0 BCADHN CC(C)(N)C(=O)N[C@H](CO)C1CCC1 ZINC000662848745 412320710 /nfs/dbraw/zinc/32/07/10/412320710.db2.gz GVADQBPBWTYDLV-MRVPVSSYSA-N 0 3 200.282 0.001 20 0 BCADHN O=C(N[C@@H](CO)C1CCC1)[C@@H]1CCCCN1 ZINC000662851330 412322672 /nfs/dbraw/zinc/32/26/72/412322672.db2.gz YWKDSHZPHAGGFM-QWRGUYRKSA-N 0 3 226.320 0.406 20 0 BCADHN COCC1(N(C)C(=O)[C@@H](N)CC(F)F)CC1 ZINC000662851063 412322711 /nfs/dbraw/zinc/32/27/11/412322711.db2.gz VVPSQJJJSLYQMS-ZETCQYMHSA-N 0 3 236.262 0.606 20 0 BCADHN COCC1(N(C)C(=O)[C@H](N)CC(F)F)CC1 ZINC000662851062 412323467 /nfs/dbraw/zinc/32/34/67/412323467.db2.gz VVPSQJJJSLYQMS-SSDOTTSWSA-N 0 3 236.262 0.606 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC/C=C\CO ZINC000662854513 412324434 /nfs/dbraw/zinc/32/44/34/412324434.db2.gz CENXINZVEOAAHY-TYRPZCRBSA-N 0 3 200.282 0.025 20 0 BCADHN NC1(C(=O)NC/C=C/CO)Cc2ccccc2C1 ZINC000662855542 412325845 /nfs/dbraw/zinc/32/58/45/412325845.db2.gz INZACNMMVATKEG-ONEGZZNKSA-N 0 3 246.310 0.147 20 0 BCADHN N[C@@H](CC1CCCCC1)C(=O)NC/C=C/CO ZINC000662857669 412326989 /nfs/dbraw/zinc/32/69/89/412326989.db2.gz BZVQJVLGUWYLHH-ITKZLYELSA-N 0 3 240.347 0.949 20 0 BCADHN O=C(NC/C=C/CO)[C@H]1CNCc2ccccc21 ZINC000662859496 412328128 /nfs/dbraw/zinc/32/81/28/412328128.db2.gz NMFXPXREPCATBZ-OOPCZODUSA-N 0 3 246.310 0.538 20 0 BCADHN CN(C[C@@H]1COCCO1)C(=O)[C@@H](N)C(C)(C)C ZINC000662868753 412329560 /nfs/dbraw/zinc/32/95/60/412329560.db2.gz AZMLWQMWYJJWGJ-NXEZZACHSA-N 0 3 244.335 0.234 20 0 BCADHN CN(C[C@H]1COCCO1)C(=O)[C@@H]1CCCCN1 ZINC000662872512 412330548 /nfs/dbraw/zinc/33/05/48/412330548.db2.gz BYDJHHOCUYKNIX-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)[C@H](C)NC ZINC000662871445 412330616 /nfs/dbraw/zinc/33/06/16/412330616.db2.gz MIZIINSAIKQYMX-UWVGGRQHSA-N 0 3 241.335 0.064 20 0 BCADHN CCn1nccc1CNC(=O)[C@@H]1CCCCN1 ZINC000663000753 412367076 /nfs/dbraw/zinc/36/70/76/412367076.db2.gz MCYTWALJUPCSNT-NSHDSACASA-N 0 3 236.319 0.661 20 0 BCADHN NCC(=O)N[C@H]1COc2cc(F)ccc2C1 ZINC000662875772 412333109 /nfs/dbraw/zinc/33/31/09/412333109.db2.gz RRMMGWMXZATXFQ-SECBINFHSA-N 0 3 224.235 0.204 20 0 BCADHN C[C@]12COC[C@@H]1CN(C(=O)C1(N)CCCC1)C2 ZINC000662879947 412334408 /nfs/dbraw/zinc/33/44/08/412334408.db2.gz HBFNSTHJXCIEBO-JQWIXIFHSA-N 0 3 238.331 0.753 20 0 BCADHN CC1=CCN(CCNc2ccc(=O)n(C)n2)CC1 ZINC000413230467 412334493 /nfs/dbraw/zinc/33/44/93/412334493.db2.gz LKYMVZVSVQZMML-UHFFFAOYSA-N 0 3 248.330 0.844 20 0 BCADHN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)CN)cn1 ZINC000662884643 412335035 /nfs/dbraw/zinc/33/50/35/412335035.db2.gz YBPJTPDWZGNGIU-WDEREUQCSA-N 0 3 236.319 0.206 20 0 BCADHN Cc1cncc(CCNC(=O)C2(N)CCCC2)n1 ZINC000662890232 412337293 /nfs/dbraw/zinc/33/72/93/412337293.db2.gz QLTRIJPKJRKTJL-UHFFFAOYSA-N 0 3 248.330 0.715 20 0 BCADHN CC(F)(F)CNC(=O)[C@@H](N)C1CCC1 ZINC000662898558 412339576 /nfs/dbraw/zinc/33/95/76/412339576.db2.gz OEDFXUDKCHNYBR-ZETCQYMHSA-N 0 3 206.236 0.885 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)c1nccn1CC ZINC000662899617 412339689 /nfs/dbraw/zinc/33/96/89/412339689.db2.gz GXDOMEZLASMRDY-IUCAKERBSA-N 0 3 224.308 0.818 20 0 BCADHN Cc1nccnc1C(=O)NC1CCN(C)CC1 ZINC000665508950 412339912 /nfs/dbraw/zinc/33/99/12/412339912.db2.gz ROYBAIPMMPEBPS-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN CCn1ccnc1[C@@H](C)NC(=O)[C@H](C)N ZINC000662899994 412340121 /nfs/dbraw/zinc/34/01/21/412340121.db2.gz JXEDAQAQOKGZEB-JGVFFNPUSA-N 0 3 210.281 0.427 20 0 BCADHN NC1(C(=O)N2CC[C@@]3(C2)CCCOC3)CC1 ZINC000662906807 412341437 /nfs/dbraw/zinc/34/14/37/412341437.db2.gz LVCXWFRVRDEVBE-LLVKDONJSA-N 0 3 224.304 0.507 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000662907982 412342240 /nfs/dbraw/zinc/34/22/40/412342240.db2.gz RMLKKVPRKRVMAS-WCQYABFASA-N 0 3 240.347 0.999 20 0 BCADHN O=C(CCOC1CNC1)NC1CC2(CCC2)C1 ZINC000662907133 412342635 /nfs/dbraw/zinc/34/26/35/412342635.db2.gz RCMNHNNPAARPMB-UHFFFAOYSA-N 0 3 238.331 0.814 20 0 BCADHN C[C@]1(C(F)F)CN(C(=O)CNC2CC2)CCO1 ZINC000663006970 412367506 /nfs/dbraw/zinc/36/75/06/412367506.db2.gz CDOXJYVVJGXBOQ-LLVKDONJSA-N 0 3 248.273 0.621 20 0 BCADHN O=C([C@@H]1CCCCN1)N1CC[C@H]2C[C@H]2C1 ZINC000662913529 412343894 /nfs/dbraw/zinc/34/38/94/412343894.db2.gz MEGGYEUTIXZKNO-DCAQKATOSA-N 0 3 208.305 0.997 20 0 BCADHN O=C(Nc1n[nH]c2cc(F)ccc21)[C@H]1CCN1 ZINC000335196566 412344270 /nfs/dbraw/zinc/34/42/70/412344270.db2.gz QAXDDTIPWINVIZ-MRVPVSSYSA-N 0 3 234.234 1.002 20 0 BCADHN CCCCc1cc(NC(=O)[C@H](C)NC)n[nH]1 ZINC000565215638 412345512 /nfs/dbraw/zinc/34/55/12/412345512.db2.gz BYURMRWTDDSTRT-QMMMGPOBSA-N 0 3 224.308 1.299 20 0 BCADHN CO[C@@H](CNC(=O)CN)C1CCCC1 ZINC000662919498 412345620 /nfs/dbraw/zinc/34/56/20/412345620.db2.gz CABOHFYHGXMWOL-VIFPVBQESA-N 0 3 200.282 0.267 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@H](O)C1CC1 ZINC000665529595 412348620 /nfs/dbraw/zinc/34/86/20/412348620.db2.gz PDIMWCZTFFJKGQ-WDEREUQCSA-N 0 3 226.320 0.358 20 0 BCADHN CCN1CCC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000665530114 412348758 /nfs/dbraw/zinc/34/87/58/412348758.db2.gz CWTCFQLCRWNXEJ-GDNZZTSVSA-N 0 3 238.331 0.479 20 0 BCADHN C[C@H](NC(=O)CNC1CC1)c1nccn1C ZINC000662934531 412349687 /nfs/dbraw/zinc/34/96/87/412349687.db2.gz OGQTZWFWWQIASE-QMMMGPOBSA-N 0 3 222.292 0.349 20 0 BCADHN CC(C)(N)C(=O)Nc1ccnc(OCCO)c1 ZINC000662934385 412349710 /nfs/dbraw/zinc/34/97/10/412349710.db2.gz MIZHVOTVOZMJBT-UHFFFAOYSA-N 0 3 239.275 0.129 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)N(C)C ZINC000662945936 412351255 /nfs/dbraw/zinc/35/12/55/412351255.db2.gz XZXRRCFBUFNUDF-GMTAPVOTSA-N 0 3 245.342 0.470 20 0 BCADHN O=C(Nc1cc[nH]n1)[C@@H]1CNCCC1(F)F ZINC000638799977 412357459 /nfs/dbraw/zinc/35/74/59/412357459.db2.gz IGUREYZNJHOSFW-LURJTMIESA-N 0 3 230.218 0.593 20 0 BCADHN CC[C@@H](N)C(=O)NC1(COC)CCOCC1 ZINC000662975966 412362028 /nfs/dbraw/zinc/36/20/28/412362028.db2.gz ZZQCPOMLIZZTRW-SECBINFHSA-N 0 3 230.308 0.036 20 0 BCADHN COCC1(NC(=O)CNC2CC2)CCOCC1 ZINC000662975301 412362119 /nfs/dbraw/zinc/36/21/19/412362119.db2.gz WBWTZVYQKODBEY-UHFFFAOYSA-N 0 3 242.319 0.050 20 0 BCADHN C[C@@H](N)C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662980469 412363089 /nfs/dbraw/zinc/36/30/89/412363089.db2.gz PRVWLQLBROAILS-RTXFEEFZSA-N 0 3 238.331 0.753 20 0 BCADHN CN(C[C@@H]1CC1(C)C)C(=O)COC1(C)CNC1 ZINC000662989808 412364160 /nfs/dbraw/zinc/36/41/60/412364160.db2.gz IZFLJUFYDALLHB-JTQLQIEISA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H](N)C(=O)N1CC(C)(C)[C@H]1c1cnn(C)c1 ZINC000662758195 412293128 /nfs/dbraw/zinc/29/31/28/412293128.db2.gz QGYFRBSSSFXWOG-PSASIEDQSA-N 0 3 236.319 0.677 20 0 BCADHN CNCC(=O)N1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000662762407 412293931 /nfs/dbraw/zinc/29/39/31/412293931.db2.gz VTBDRYYJRWNNHJ-MWLCHTKSSA-N 0 3 226.320 0.622 20 0 BCADHN CCC[C@H](NC(C)C)C(=O)Nc1ccn(C)n1 ZINC000352129357 412365832 /nfs/dbraw/zinc/36/58/32/412365832.db2.gz QEUDIUQMJVENSX-JTQLQIEISA-N 0 3 238.335 1.525 20 0 BCADHN CC(C)N1CC[C@@H](Nc2cc(C#N)cnn2)C1 ZINC000396929005 412296300 /nfs/dbraw/zinc/29/63/00/412296300.db2.gz CEOGBYOGPPVWLE-LLVKDONJSA-N 0 3 231.303 1.243 20 0 BCADHN CCn1cnc(C(=O)N2CCN[C@H](C)[C@H]2C)c1 ZINC000662774828 412298074 /nfs/dbraw/zinc/29/80/74/412298074.db2.gz OTTIKUDVOJVIDE-NXEZZACHSA-N 0 3 236.319 0.725 20 0 BCADHN CC[C@@H](NC)C(=O)N1CCCn2nccc21 ZINC000662787982 412302688 /nfs/dbraw/zinc/30/26/88/412302688.db2.gz FCNVEOYNBOSMGB-SECBINFHSA-N 0 3 222.292 0.618 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1n[nH]c2ccc(F)cc21 ZINC000334178178 412303648 /nfs/dbraw/zinc/30/36/48/412303648.db2.gz ACNGNZCQDAPPSA-POYBYMJQSA-N 0 3 234.234 0.988 20 0 BCADHN CO[C@@H](C)CNC(=O)C1(NC2CC2)CCC1 ZINC000662791294 412304412 /nfs/dbraw/zinc/30/44/12/412304412.db2.gz JAHGQFGQFIKDTL-VIFPVBQESA-N 0 3 226.320 0.812 20 0 BCADHN CC(C)(N)C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000663011009 412370147 /nfs/dbraw/zinc/37/01/47/412370147.db2.gz VBULNCWPMZOXPA-SNVBAGLBSA-N 0 3 236.262 0.606 20 0 BCADHN CC1(C)CN(C(=O)CN)[C@H]1[C@H]1CCCO1 ZINC000663023198 412373504 /nfs/dbraw/zinc/37/35/04/412373504.db2.gz SWGOEVKGYJNKKW-SCZZXKLOSA-N 0 3 212.293 0.361 20 0 BCADHN CC1(C)CN(C(=O)CN)[C@H]1[C@@H]1CCCO1 ZINC000663023200 412374035 /nfs/dbraw/zinc/37/40/35/412374035.db2.gz SWGOEVKGYJNKKW-WPRPVWTQSA-N 0 3 212.293 0.361 20 0 BCADHN CCNC(=O)[C@H](C)NCc1ccc(CO)cc1 ZINC000133050099 412393007 /nfs/dbraw/zinc/39/30/07/412393007.db2.gz GYPDTYOMKFYGNW-JTQLQIEISA-N 0 3 236.315 0.793 20 0 BCADHN CNC(=O)[C@H](C)CN(C)C(=O)[C@H](N)CC(C)C ZINC000162721200 487623713 /nfs/dbraw/zinc/62/37/13/487623713.db2.gz CPODWMWWFADEDN-NXEZZACHSA-N 0 3 243.351 0.200 20 0 BCADHN CCc1nc([C@@H](C)N[C@H](C)CC(N)=O)n[nH]1 ZINC000131641064 172002831 /nfs/dbraw/zinc/00/28/31/172002831.db2.gz LEVJJTUGVAOFOP-RNFRBKRXSA-N 0 3 225.296 0.282 20 0 BCADHN CCc1nc([C@H](C)NC(=O)CN(C)C)n[nH]1 ZINC000270803280 172005978 /nfs/dbraw/zinc/00/59/78/172005978.db2.gz WWLOFIWXEHLOFD-ZETCQYMHSA-N 0 3 225.296 0.106 20 0 BCADHN CCc1nn(C)c(CC)c1CNC(=O)[C@H](C)N ZINC000158002610 172038375 /nfs/dbraw/zinc/03/83/75/172038375.db2.gz TUOHZDJDSLBMES-QMMMGPOBSA-N 0 3 238.335 0.508 20 0 BCADHN CCc1nnc(NC(=O)C(C)(C)N)s1 ZINC000082257184 172056168 /nfs/dbraw/zinc/05/61/68/172056168.db2.gz ONHZMUSJEGSJCX-UHFFFAOYSA-N 0 3 214.294 0.776 20 0 BCADHN CCc1noc(CC)c1CNC(=O)[C@@H](C)N ZINC000121980426 172084059 /nfs/dbraw/zinc/08/40/59/172084059.db2.gz RICHXXCOWWGEDR-SSDOTTSWSA-N 0 3 225.292 0.763 20 0 BCADHN CCc1nocc1CNCC[C@H](O)COC ZINC000339333031 172099697 /nfs/dbraw/zinc/09/96/97/172099697.db2.gz JQCFZYZLTSATPC-JTQLQIEISA-N 0 3 228.292 0.724 20 0 BCADHN CCc1nocc1CNCCOCCN(C)C ZINC000339358849 172099874 /nfs/dbraw/zinc/09/98/74/172099874.db2.gz MGSFEEXNURABGY-UHFFFAOYSA-N 0 3 241.335 0.905 20 0 BCADHN CCc1nocc1CNC[C@@]1(O)CCO[C@@H]1C ZINC000339381257 172100167 /nfs/dbraw/zinc/10/01/67/172100167.db2.gz XDKDUZUWEIVVMH-SKDRFNHKSA-N 0 3 240.303 0.867 20 0 BCADHN CCc1nocc1CNCCN(C)CCOC ZINC000339221289 172100418 /nfs/dbraw/zinc/10/04/18/172100418.db2.gz FRLMKPCGBBCWJW-UHFFFAOYSA-N 0 3 241.335 0.905 20 0 BCADHN CCc1ocnc1C(=O)N[C@@H](C)CN(C)C ZINC000287196479 172122831 /nfs/dbraw/zinc/12/28/31/172122831.db2.gz MPZUCSPRJXGOHG-QMMMGPOBSA-N 0 3 225.292 0.917 20 0 BCADHN CCn1cc(CN[C@@H](C)CN(C)C)cn1 ZINC000130533108 172173028 /nfs/dbraw/zinc/17/30/28/172173028.db2.gz WLVPMQKILCNZGW-JTQLQIEISA-N 0 3 210.325 0.943 20 0 BCADHN CCn1cc(C(=O)NC[C@@H](C)N(C)C)cn1 ZINC000265146990 172153385 /nfs/dbraw/zinc/15/33/85/172153385.db2.gz XMMQNDJVCDJGPZ-SECBINFHSA-N 0 3 224.308 0.583 20 0 BCADHN CCn1cc(CCN2CC[C@@](C)(O)C2)cn1 ZINC000284879740 172159634 /nfs/dbraw/zinc/15/96/34/172159634.db2.gz FIGXPMGADWPGKS-GFCCVEGCSA-N 0 3 223.320 0.902 20 0 BCADHN CCn1cc(CNCC2(O)CCC2)cn1 ZINC000123229473 172171175 /nfs/dbraw/zinc/17/11/75/172171175.db2.gz QDWLGLFNCIMOPG-UHFFFAOYSA-N 0 3 209.293 0.908 20 0 BCADHN CCn1cc(CNC[C@@]2(O)CCN(C)C2)cn1 ZINC000358171572 172172274 /nfs/dbraw/zinc/17/22/74/172172274.db2.gz UCNPVXWXNHUZIF-LBPRGKRZSA-N 0 3 238.335 0.059 20 0 BCADHN CCn1cc(CNC[C@](C)(O)CCOC)cn1 ZINC000172069926 172172782 /nfs/dbraw/zinc/17/27/82/172172782.db2.gz FMTOWKOBEINLPK-GFCCVEGCSA-N 0 3 241.335 0.780 20 0 BCADHN CCn1cc(CNC[C@]2(O)CCO[C@H]2C)cn1 ZINC000227970760 172172706 /nfs/dbraw/zinc/17/27/06/172172706.db2.gz XCLVANYUMNOQJS-CMPLNLGQSA-N 0 3 239.319 0.533 20 0 BCADHN CCn1cc(CN[C@](C)(CCO)COC)cn1 ZINC000267405608 172174995 /nfs/dbraw/zinc/17/49/95/172174995.db2.gz YLXNARDSCFPXAO-GFCCVEGCSA-N 0 3 241.335 0.780 20 0 BCADHN CCn1cc(CN[C@]2(CCO)CCOC2)cn1 ZINC000278530423 172175538 /nfs/dbraw/zinc/17/55/38/172175538.db2.gz UXKYPHZSKDXFHC-GFCCVEGCSA-N 0 3 239.319 0.534 20 0 BCADHN CCn1cc(NC(=O)/C=C/CN(C)C)cn1 ZINC000264615733 172177984 /nfs/dbraw/zinc/17/79/84/172177984.db2.gz JMTVMZAHJNQCAF-AATRIKPKSA-N 0 3 222.292 0.959 20 0 BCADHN CCn1cc(NC(=O)[C@H](N)C(C)C)cn1 ZINC000035781288 172182758 /nfs/dbraw/zinc/18/27/58/172182758.db2.gz GGDYSNJFLXJPFY-SECBINFHSA-N 0 3 210.281 0.825 20 0 BCADHN CCn1cc([C@H](C)NC[C@@]2(O)CCOC2)cn1 ZINC000181731466 172197536 /nfs/dbraw/zinc/19/75/36/172197536.db2.gz FGIRAMJGGFXDOI-JQWIXIFHSA-N 0 3 239.319 0.705 20 0 BCADHN CCn1cc([C@H](C)NC[C@@H](O)COC)cn1 ZINC000070589443 172198054 /nfs/dbraw/zinc/19/80/54/172198054.db2.gz AALZUSAQTMDZIM-GXSJLCMTSA-N 0 3 227.308 0.561 20 0 BCADHN CCn1cccc(CNCC2(C)COC2)c1=O ZINC000352712408 172200687 /nfs/dbraw/zinc/20/06/87/172200687.db2.gz PBYFYVVJGPYNDC-UHFFFAOYSA-N 0 3 236.315 0.994 20 0 BCADHN CCn1ccnc(NCC2=CCN(C)CC2)c1=O ZINC000271763847 172211007 /nfs/dbraw/zinc/21/10/07/172211007.db2.gz FGGUIZGMMWTIMM-UHFFFAOYSA-N 0 3 248.330 0.937 20 0 BCADHN CCn1ccnc(NC[C@H]2CCCN2C)c1=O ZINC000091007948 172212383 /nfs/dbraw/zinc/21/23/83/172212383.db2.gz FHEPXQHLIPQTRS-SNVBAGLBSA-N 0 3 236.319 0.769 20 0 BCADHN CCn1ccnc1C(=O)NC1CCN(C)CC1 ZINC000279170744 172214994 /nfs/dbraw/zinc/21/49/94/172214994.db2.gz GYWNGRQIMBZPDN-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN CCn1ccnc1C(=O)NCCN1CCCC1 ZINC000362388033 172217088 /nfs/dbraw/zinc/21/70/88/172217088.db2.gz DSFDPVIQDPEDDB-UHFFFAOYSA-N 0 3 236.319 0.729 20 0 BCADHN CCn1nc(C)c(C(=O)NC[C@@H](C)N(C)C)n1 ZINC000293872224 172243246 /nfs/dbraw/zinc/24/32/46/172243246.db2.gz AZMOQMHDHJGPQI-MRVPVSSYSA-N 0 3 239.323 0.286 20 0 BCADHN CCn1nc(C)c(C(=O)NC[C@H](C)N(C)C)n1 ZINC000293872226 172243374 /nfs/dbraw/zinc/24/33/74/172243374.db2.gz AZMOQMHDHJGPQI-QMMMGPOBSA-N 0 3 239.323 0.286 20 0 BCADHN CCn1ncc2c1CCC[C@@H]2NC(=O)CNC ZINC000374174170 172256373 /nfs/dbraw/zinc/25/63/73/172256373.db2.gz IUZRVESNRHZHFL-JTQLQIEISA-N 0 3 236.319 0.616 20 0 BCADHN CCn1nccc1CCN1CCC[C@@H](O)C1 ZINC000276334514 172259937 /nfs/dbraw/zinc/25/99/37/172259937.db2.gz 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CO[C@H](CN)C(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000227408399 174857126 /nfs/dbraw/zinc/85/71/26/174857126.db2.gz XOGUEVLZBSKICA-XHNCKOQMSA-N 0 3 232.349 0.313 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000353010796 174858433 /nfs/dbraw/zinc/85/84/33/174858433.db2.gz JPFSKCYDZBIFEC-CHWFTXMASA-N 0 3 242.319 0.034 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)[C@@H](N)C(C)C)C1(C)C ZINC000225549907 174905541 /nfs/dbraw/zinc/90/55/41/174905541.db2.gz CNOZTLOQGBEXOA-GUBZILKMSA-N 0 3 228.336 0.899 20 0 BCADHN COc1ccc(C(=O)N(C)CCN(C)C)nn1 ZINC000267151123 175055124 /nfs/dbraw/zinc/05/51/24/175055124.db2.gz WUORNHBTRVWWEF-UHFFFAOYSA-N 0 3 238.291 0.119 20 0 BCADHN COc1ccc(CCCNC(=O)CN)cc1 ZINC000237223501 175090000 /nfs/dbraw/zinc/09/00/00/175090000.db2.gz PUCJJPSJFOWVLL-UHFFFAOYSA-N 0 3 222.288 0.703 20 0 BCADHN COc1ccc(CNC(=O)CN)c(F)c1 ZINC000083346873 175103841 /nfs/dbraw/zinc/10/38/41/175103841.db2.gz ZJDPJFZVCIHPCP-UHFFFAOYSA-N 0 3 212.224 0.409 20 0 BCADHN COc1ccc(CNC(=O)[C@H](C)N)cc1OC ZINC000011957889 175104585 /nfs/dbraw/zinc/10/45/85/175104585.db2.gz KXSKOQRDGZUIDV-QMMMGPOBSA-N 0 3 238.287 0.667 20 0 BCADHN COc1ccc(CNC(=O)[C@H](C)N)cc1F ZINC000057517313 175104882 /nfs/dbraw/zinc/10/48/82/175104882.db2.gz WHNLFWJZMLYHEC-ZETCQYMHSA-N 0 3 226.251 0.798 20 0 BCADHN COc1ccc(CN[C@@H](C)CC(N)=O)cc1O ZINC000135729356 175109365 /nfs/dbraw/zinc/10/93/65/175109365.db2.gz XDCFPKVZHYQKHY-QMMMGPOBSA-N 0 3 238.287 0.754 20 0 BCADHN COc1ccc(CN[C@H]2CCN(C)C2)cn1 ZINC000061984845 175112037 /nfs/dbraw/zinc/11/20/37/175112037.db2.gz LVPZAIUGYRCCGY-NSHDSACASA-N 0 3 221.304 0.884 20 0 BCADHN COc1ccc(CN[C@H]2CCOC[C@H]2C)nn1 ZINC000282397197 175112053 /nfs/dbraw/zinc/11/20/53/175112053.db2.gz DYHICSGDOCOMJR-KOLCDFICSA-N 0 3 237.303 1.000 20 0 BCADHN COc1ccc(NC(=O)[C@@H](CN)OC)c(C)c1 ZINC000227382012 175145758 /nfs/dbraw/zinc/14/57/58/175145758.db2.gz VXEIQTVPQMBBKR-LLVKDONJSA-N 0 3 238.287 0.916 20 0 BCADHN COc1ccc(NC(=O)[C@H](CN)OC)cc1 ZINC000227341384 175146666 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YUDVXTSKBWURFX-UHFFFAOYSA-N 0 3 210.277 0.951 20 0 BCADHN COc1ccccc1CNC[C@]1(O)CCOC1 ZINC000179027193 175330209 /nfs/dbraw/zinc/33/02/09/175330209.db2.gz WGVKLIFBLQGADW-CYBMUJFWSA-N 0 3 237.299 0.936 20 0 BCADHN COc1ccccc1[C@@H](C)NC(=O)CN ZINC000040419386 175345241 /nfs/dbraw/zinc/34/52/41/175345241.db2.gz LETGXYCQCRCZNH-MRVPVSSYSA-N 0 3 208.261 0.831 20 0 BCADHN COc1ccnc(NC[C@@H]2CCN(C)C2)n1 ZINC000162384965 175366238 /nfs/dbraw/zinc/36/62/38/175366238.db2.gz RHTCLZLYAHFCCV-VIFPVBQESA-N 0 3 222.292 0.849 20 0 BCADHN COc1ccncc1NC(=O)C1(N)CC1 ZINC000237112700 175375489 /nfs/dbraw/zinc/37/54/89/175375489.db2.gz GLKWEMVTMGIICU-UHFFFAOYSA-N 0 3 207.233 0.520 20 0 BCADHN COc1ccsc1CNC[C@]1(O)CCOC1 ZINC000126207352 175378109 /nfs/dbraw/zinc/37/81/09/175378109.db2.gz GKRNQIADSMUREO-LLVKDONJSA-N 0 3 243.328 0.998 20 0 BCADHN COc1cnc(C(=O)NC[C@H](C)N(C)C)nc1 ZINC000338857201 175381059 /nfs/dbraw/zinc/38/10/59/175381059.db2.gz YDARPNDOIORLEG-QMMMGPOBSA-N 0 3 238.291 0.165 20 0 BCADHN 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C[C@@H](CN(C)C)NC(=O)c1cccn(C)c1=O ZINC000286965248 175699778 /nfs/dbraw/zinc/69/97/78/175699778.db2.gz LMGJPBHAYMZQPT-VIFPVBQESA-N 0 3 237.303 0.065 20 0 BCADHN C[C@@H](Cn1cncn1)NCc1ccn(C)c1 ZINC000127260570 175785183 /nfs/dbraw/zinc/78/51/83/175785183.db2.gz AWXLUEPPLMDODU-JTQLQIEISA-N 0 3 219.292 0.795 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000368503498 175794523 /nfs/dbraw/zinc/79/45/23/175794523.db2.gz LNXAKZCTEWXHLM-IJLUTSLNSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccc(-c2nncn2C)c1 ZINC000037003203 175800824 /nfs/dbraw/zinc/80/08/24/175800824.db2.gz VMKZDBJUWOVSLN-MRVPVSSYSA-N 0 3 245.286 0.768 20 0 BCADHN C[C@@H](NCC1([S@](C)=O)CC1)c1cnn(C)c1 ZINC000309542741 175869070 /nfs/dbraw/zinc/86/90/70/175869070.db2.gz GGCQNPHVZOKAEY-ABKXIKBNSA-N 0 3 241.360 0.982 20 0 BCADHN C[C@@H](Oc1cccnc1)C(=O)NCCN(C)C ZINC000117990555 176006502 /nfs/dbraw/zinc/00/65/02/176006502.db2.gz KOHHPWAEESQHCF-SNVBAGLBSA-N 0 3 237.303 0.527 20 0 BCADHN C[C@@H](c1cccnc1)N1CCC[C@](O)(C(N)=O)C1 ZINC000286319322 176030178 /nfs/dbraw/zinc/03/01/78/176030178.db2.gz VUNCVEIMHAYNGZ-GXFFZTMASA-N 0 3 249.314 0.455 20 0 BCADHN C[C@@H](c1cnccn1)N1CC[C@@](C)(C(N)=O)C1 ZINC000361571775 176036865 /nfs/dbraw/zinc/03/68/65/176036865.db2.gz ONGJWTLFOPMLQZ-JOYOIKCWSA-N 0 3 234.303 0.735 20 0 BCADHN C[C@@H](c1cnccn1)N1CC[C@@H](CO)C1 ZINC000100248440 176037114 /nfs/dbraw/zinc/03/71/14/176037114.db2.gz WCZHPYJTPLXOKT-VHSXEESVSA-N 0 3 207.277 0.852 20 0 BCADHN C[C@@H]1CCCCN1CCNC(=O)CC(N)=O ZINC000330842750 176071923 /nfs/dbraw/zinc/07/19/23/176071923.db2.gz BDEDUYOBDDXPGI-SECBINFHSA-N 0 3 227.308 0.902 20 0 BCADHN C[C@@H]1CCCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000091973022 176093254 /nfs/dbraw/zinc/09/32/54/176093254.db2.gz RBIIPKCXSWSYRM-GHMZBOCLSA-N 0 3 241.335 0.416 20 0 BCADHN C[C@@H]1CCCN(CC(=O)N(C)C)[C@H]1CO ZINC000305164634 176096357 /nfs/dbraw/zinc/09/63/57/176096357.db2.gz GYOFUIVFDNPUFG-ZJUUUORDSA-N 0 3 214.309 0.167 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)N(C)CCO)C1 ZINC000305716605 176097376 /nfs/dbraw/zinc/09/73/76/176097376.db2.gz HQKODTILZIGOFB-LLVKDONJSA-N 0 3 243.351 0.352 20 0 BCADHN C[C@H](CO)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000249503822 176097969 /nfs/dbraw/zinc/09/79/69/176097969.db2.gz DNSBICNHHRMWGF-GHMZBOCLSA-N 0 3 243.351 0.398 20 0 BCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCCO ZINC000303106579 176099462 /nfs/dbraw/zinc/09/94/62/176099462.db2.gz FCFWSJPKVVOBHI-GHMZBOCLSA-N 0 3 243.351 0.398 20 0 BCADHN C[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCCNC2)C1 ZINC000019426320 176103349 /nfs/dbraw/zinc/10/33/49/176103349.db2.gz OJBXQFMHOUPHLX-GHMZBOCLSA-N 0 3 246.376 0.800 20 0 BCADHN C[C@@H]1CCCN1C(=O)[C@H](N)CC(F)F ZINC000336353497 176106457 /nfs/dbraw/zinc/10/64/57/176106457.db2.gz IWLQGTMPXHVLEC-RNFRBKRXSA-N 0 3 206.236 0.980 20 0 BCADHN C[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCN)CC1 ZINC000235278200 176120378 /nfs/dbraw/zinc/12/03/78/176120378.db2.gz GFEURUJSRUPQCS-NXEZZACHSA-N 0 3 241.335 0.146 20 0 BCADHN C[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000333148413 176148875 /nfs/dbraw/zinc/14/88/75/176148875.db2.gz DXXZNTNMULJAMB-OUAUKWLOSA-N 0 3 241.335 0.463 20 0 BCADHN C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)C2)C1 ZINC000336594315 176159177 /nfs/dbraw/zinc/15/91/77/176159177.db2.gz CDYQXKVZGIOVAH-NXEZZACHSA-N 0 3 211.309 0.742 20 0 BCADHN C[C@@H]1CCN(C)CCN1c1nccn2cnnc12 ZINC000356735044 176166516 /nfs/dbraw/zinc/16/65/16/176166516.db2.gz DOBSIHLFTODWCX-SNVBAGLBSA-N 0 3 246.318 0.655 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCOCC2)C1 ZINC000336504068 176166546 /nfs/dbraw/zinc/16/65/46/176166546.db2.gz LRSXFANUZLDDLL-SNVBAGLBSA-N 0 3 212.293 0.187 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)N[C@@H]1CCOC1 ZINC000337683342 176167297 /nfs/dbraw/zinc/16/72/97/176167297.db2.gz IYRHNHKDVZIBIG-GHMZBOCLSA-N 0 3 241.335 0.511 20 0 BCADHN C[C@@H]1CCN(CCc2cn[nH]c2)C[C@@H]1O ZINC000335569295 176170783 /nfs/dbraw/zinc/17/07/83/176170783.db2.gz RIABZYILHPVHRD-KOLCDFICSA-N 0 3 209.293 0.655 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCCc1cnn(C)c1 ZINC000282466090 176183043 /nfs/dbraw/zinc/18/30/43/176183043.db2.gz UHELTKUKNPEIFG-MWLCHTKSSA-N 0 3 236.319 0.077 20 0 BCADHN C[C@@H]1CCNC[C@@H]1NS(=O)(=O)CC(C)(C)C ZINC000070712131 176184894 /nfs/dbraw/zinc/18/48/94/176184894.db2.gz LEADKPIIBWDVNB-ZJUUUORDSA-N 0 3 248.392 0.950 20 0 BCADHN C[C@@H]1CCNC[C@H]1NS(=O)(=O)CC(C)(C)C ZINC000070712133 176186582 /nfs/dbraw/zinc/18/65/82/176186582.db2.gz LEADKPIIBWDVNB-NXEZZACHSA-N 0 3 248.392 0.950 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NCCOCC2CC2)C1 ZINC000235322980 176186910 /nfs/dbraw/zinc/18/69/10/176186910.db2.gz WFDPBPAMWQMDBU-PWSUYJOCSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NCC2CCOCC2)C1 ZINC000127224318 176187316 /nfs/dbraw/zinc/18/73/16/176187316.db2.gz BEAVVSNNNFJXAF-PWSUYJOCSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@@H]1CC[C@@H](C(N)=O)CN1CCn1cncn1 ZINC000330570292 176195018 /nfs/dbraw/zinc/19/50/18/176195018.db2.gz DZNFPTASRNVKBS-NXEZZACHSA-N 0 3 237.307 0.914 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CCOC1 ZINC000337479806 176198597 /nfs/dbraw/zinc/19/85/97/176198597.db2.gz VXILYUGVSAEVTL-GMTAPVOTSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](C(=O)NCCCO)N1[C@H](C)CC[C@H]1C ZINC000305120859 176200317 /nfs/dbraw/zinc/20/03/17/176200317.db2.gz MMJAKXFUWZEGBM-GMTAPVOTSA-N 0 3 228.336 0.746 20 0 BCADHN COC[C@@H](OC)C(=O)NC[C@H](C)N1CCCC1 ZINC000668296952 487633205 /nfs/dbraw/zinc/63/32/05/487633205.db2.gz CBFJGNIANYFEPT-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000358061885 176220580 /nfs/dbraw/zinc/22/05/80/176220580.db2.gz HPPXVNMZRKZTHK-MDZLAQPJSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H]1CC[C@H](CC(=O)NC[C@H]2CNCCO2)C1 ZINC000333345802 176223145 /nfs/dbraw/zinc/22/31/45/176223145.db2.gz ZFQICWZLHPWCOT-GRYCIOLGSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCN(CCO)[C@H](C)C2)O1 ZINC000355236928 176224615 /nfs/dbraw/zinc/22/46/15/176224615.db2.gz IEQVDJOIPZTVAE-JHJVBQTASA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCC[C@@H]3C(=O)NC[C@H]32)O1 ZINC000337213797 176224641 /nfs/dbraw/zinc/22/46/41/176224641.db2.gz DFOGGWCFFGHYQF-WISYIIOYSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H]1CC[C@H](CN2CC[C@@H]3C(=O)NC[C@@H]3C2)O1 ZINC000368060271 176225358 /nfs/dbraw/zinc/22/53/58/176225358.db2.gz DXXHONKIIRLUJF-KKOKHZNYSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@H]1CN(C(=O)C2(N)CCOCC2)C[C@H]1C ZINC000149748076 176242693 /nfs/dbraw/zinc/24/26/93/176242693.db2.gz OZLRTCRKMWTZEJ-AOOOYVTPSA-N 0 3 226.320 0.609 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CCCC2)CCN1 ZINC000188467893 176242738 /nfs/dbraw/zinc/24/27/38/176242738.db2.gz ADMRQLFQDFWQBQ-SECBINFHSA-N 0 3 211.309 0.078 20 0 BCADHN C[C@H]1C[C@H]1N1CCN(C(=O)CO)C[C@@H](C)C1 ZINC000346181893 176247393 /nfs/dbraw/zinc/24/73/93/176247393.db2.gz BYHNVMOQFPVKFD-GARJFASQSA-N 0 3 226.320 0.167 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)CCS1 ZINC000335776965 176253552 /nfs/dbraw/zinc/25/35/52/176253552.db2.gz SPMYCHMEPNNGOB-RQJHMYQMSA-N 0 3 238.303 0.933 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)C[C@@H](C)O1 ZINC000336642840 176254182 /nfs/dbraw/zinc/25/41/82/176254182.db2.gz ACLQYUCWGMNABB-PRJMDXOYSA-N 0 3 236.262 0.605 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)CN2)C[C@@H](C)N1 ZINC000360820060 176254274 /nfs/dbraw/zinc/25/42/74/176254274.db2.gz VCJYKWBORGCENV-HLTSFMKQSA-N 0 3 247.289 0.192 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)C[C@@H](C)O1 ZINC000376791661 176257071 /nfs/dbraw/zinc/25/70/71/176257071.db2.gz PJWVFMLAYJBPQN-FXPVBKGRSA-N 0 3 230.283 0.324 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CC(C)(C)O1 ZINC000152974117 176257085 /nfs/dbraw/zinc/25/70/85/176257085.db2.gz DOVHATLETIJABY-BXKDBHETSA-N 0 3 244.310 0.714 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCN1 ZINC000131880485 176257247 /nfs/dbraw/zinc/25/72/47/176257247.db2.gz KPBCFWZXIZCSBO-DGCLKSJQSA-N 0 3 247.342 0.377 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)CCN1 ZINC000188410675 176257715 /nfs/dbraw/zinc/25/77/15/176257715.db2.gz DAHKPCOAMOXWIL-ZYHUDNBSSA-N 0 3 233.315 0.507 20 0 BCADHN C[C@@H]1CN(C(=O)[C@](C)(N)c2ccccc2)CCN1 ZINC000262932329 176258925 /nfs/dbraw/zinc/25/89/25/176258925.db2.gz SUYSNWDNCLOPCK-BXUZGUMPSA-N 0 3 247.342 0.681 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc[nH]2)[C@H](C)CN1 ZINC000083118197 176262275 /nfs/dbraw/zinc/26/22/75/176262275.db2.gz WKVGCFDVAPMSBU-RKDXNWHRSA-N 0 3 207.277 0.837 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc[nH]c2=O)[C@H](C)CN1 ZINC000086467494 176262699 /nfs/dbraw/zinc/26/26/99/176262699.db2.gz PFKGYDBBBRIQJC-RKDXNWHRSA-N 0 3 235.287 0.610 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccnn2C)[C@H](C)CN1 ZINC000083118273 176263591 /nfs/dbraw/zinc/26/35/91/176263591.db2.gz QOABPRICDQNGLV-RKDXNWHRSA-N 0 3 222.292 0.243 20 0 BCADHN C[C@@H]1CN(C(=O)c2cnsn2)[C@H](C)CN1 ZINC000083118345 176265333 /nfs/dbraw/zinc/26/53/33/176265333.db2.gz OVJCKDLJQGMZFJ-RNFRBKRXSA-N 0 3 226.305 0.361 20 0 BCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1CCOC1 ZINC000121168342 176268485 /nfs/dbraw/zinc/26/84/85/176268485.db2.gz CIWRPJJIFBLCCV-UTUOFQBUSA-N 0 3 240.347 0.822 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCc1cnn(C)c1 ZINC000309148912 176275215 /nfs/dbraw/zinc/27/52/15/176275215.db2.gz VYBWWGIRIFNOMA-KOLCDFICSA-N 0 3 208.309 0.460 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCc1nnc2ccccn21 ZINC000354961979 176275287 /nfs/dbraw/zinc/27/52/87/176275287.db2.gz SFWSVOOFJPXCEO-MNOVXSKESA-N 0 3 245.330 0.769 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1NCc1ccn(C)n1 ZINC000335605707 176276607 /nfs/dbraw/zinc/27/66/07/176276607.db2.gz DDIOCOPDRCGGGC-MWLCHTKSSA-N 0 3 208.309 0.460 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1NCc1cnn(C)c1 ZINC000309148913 176277019 /nfs/dbraw/zinc/27/70/19/176277019.db2.gz VYBWWGIRIFNOMA-MWLCHTKSSA-N 0 3 208.309 0.460 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1N[C@@H]1CCCN(C)C1=O ZINC000336778681 176277602 /nfs/dbraw/zinc/27/76/02/176277602.db2.gz MADNVNHRFOZBGR-GMTAPVOTSA-N 0 3 225.336 0.147 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnnn1C ZINC000282640202 176281624 /nfs/dbraw/zinc/28/16/24/176281624.db2.gz GWLYLUKSOCJZIB-PSASIEDQSA-N 0 3 249.318 0.028 20 0 BCADHN C[C@@H]1CN(CC2(C)COC2)C[C@]2(CCOC2)O1 ZINC000361511372 176285184 /nfs/dbraw/zinc/28/51/84/176285184.db2.gz RAMAFOXBTBABQM-YPMHNXCESA-N 0 3 241.331 0.903 20 0 BCADHN C[C@@H]1CN(CCCNC(N)=O)CCCO1 ZINC000332018653 176290040 /nfs/dbraw/zinc/29/00/40/176290040.db2.gz QNYIWXXEPRYPOJ-SECBINFHSA-N 0 3 215.297 0.156 20 0 BCADHN C[C@@H]1CN(CCN2CCOCC2)C[C@@H](C)N1C ZINC000336888925 176291056 /nfs/dbraw/zinc/29/10/56/176291056.db2.gz KYHWVXVYSUZIHH-CHWSQXEVSA-N 0 3 241.379 0.343 20 0 BCADHN C[C@@H]1CN(CCN2CCO[C@H](C)C2)C[C@H]1O ZINC000337310870 176291103 /nfs/dbraw/zinc/29/11/03/176291103.db2.gz BPFCVYIZRROPCA-IJLUTSLNSA-N 0 3 228.336 0.020 20 0 BCADHN C[C@@H]1CN(CCN2CCCOCC2)CC[C@@H]1O ZINC000361377771 176291737 /nfs/dbraw/zinc/29/17/37/176291737.db2.gz PJKKCBHZGNHUMB-OLZOCXBDSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@@H](NCCN1CCO[C@H](C)C1)c1cn[nH]c1 ZINC000281856582 176291900 /nfs/dbraw/zinc/29/19/00/176291900.db2.gz AEZUAZKZORRXFL-GHMZBOCLSA-N 0 3 238.335 0.781 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC(F)(F)F)C[C@H]1CO ZINC000362069130 176299013 /nfs/dbraw/zinc/29/90/13/176299013.db2.gz DRRNNRUOCODFRA-HRDYMLBCSA-N 0 3 241.253 0.860 20 0 BCADHN C[C@@H]1CN(CCn2cccn2)CC[C@H]1O ZINC000251436271 176295651 /nfs/dbraw/zinc/29/56/51/176295651.db2.gz CFOAZPSGCUEDHA-GHMZBOCLSA-N 0 3 209.293 0.586 20 0 BCADHN C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O ZINC000348305722 176296156 /nfs/dbraw/zinc/29/61/56/176296156.db2.gz ABERCPLFAJRBIY-MWLCHTKSSA-N 0 3 209.293 0.275 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCOC2)C[C@]2(CCOC2)O1 ZINC000361512046 176296879 /nfs/dbraw/zinc/29/68/79/176296879.db2.gz WYGSVVBKROJTTK-AGIUHOORSA-N 0 3 241.331 0.903 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCOC2)C[C@@]2(CCOC2)O1 ZINC000361512047 176297787 /nfs/dbraw/zinc/29/77/87/176297787.db2.gz WYGSVVBKROJTTK-FRRDWIJNSA-N 0 3 241.331 0.903 20 0 BCADHN C[C@@H]1CN(S(=O)(=O)C2(C)CC2)C[C@H]1N(C)C ZINC000336266635 176313425 /nfs/dbraw/zinc/31/34/25/176313425.db2.gz NJFUBWQXBSHFFU-NXEZZACHSA-N 0 3 246.376 0.751 20 0 BCADHN C[C@H](C(=O)N1CCCCC1)N1C[C@@H](C)[C@@H](O)C1 ZINC000351814356 176316786 /nfs/dbraw/zinc/31/67/86/176316786.db2.gz SQQYAOCNBOPAIA-UTUOFQBUSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](C)C1 ZINC000362434798 176317232 /nfs/dbraw/zinc/31/72/32/176317232.db2.gz PEPKIFMOJHPGKA-BWZBUEFSSA-N 0 3 213.281 0.158 20 0 BCADHN C[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H](C)N1C ZINC000336889722 176317680 /nfs/dbraw/zinc/31/76/80/176317680.db2.gz MQZQWOAVPVTCHT-MXWKQRLJSA-N 0 3 225.336 0.289 20 0 BCADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1nc[nH]n1 ZINC000095042518 176323351 /nfs/dbraw/zinc/32/33/51/176323351.db2.gz LYMRMRWGGAZAAE-RKDXNWHRSA-N 0 3 235.291 0.113 20 0 BCADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cncn1C ZINC000277834744 176323627 /nfs/dbraw/zinc/32/36/27/176323627.db2.gz XREADOHXXOPXOX-GHMZBOCLSA-N 0 3 248.330 0.729 20 0 BCADHN C[C@@H](O)COC(=O)CCN1CCOC[C@@H](C)C1 ZINC000373858815 176332567 /nfs/dbraw/zinc/33/25/67/176332567.db2.gz JQOSWGBYUQTXLZ-WDEREUQCSA-N 0 3 245.319 0.269 20 0 BCADHN C[C@@H]1COCCN([C@@H]2CCCCNC2=O)C1 ZINC000336661510 176333198 /nfs/dbraw/zinc/33/31/98/176333198.db2.gz BTKYVLVMYZENNG-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H]1CN(CCN2CCOC[C@@H](C)C2)CCO1 ZINC000337326359 176333463 /nfs/dbraw/zinc/33/34/63/176333463.db2.gz VZIBWUVZMUZHSR-STQMWFEESA-N 0 3 242.363 0.675 20 0 BCADHN C[C@@H]1COCCN1C(=O)NC[C@H]1CCCN1C ZINC000120855516 176334170 /nfs/dbraw/zinc/33/41/70/176334170.db2.gz FGMIVPCCHOHXMZ-GHMZBOCLSA-N 0 3 241.335 0.511 20 0 BCADHN C[C@@H]1COCCN1CCN(C)CC1(O)CCC1 ZINC000337179684 176336142 /nfs/dbraw/zinc/33/61/42/176336142.db2.gz ADMHAKCEGGZKPM-GFCCVEGCSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC[C@H](O)C1 ZINC000191407497 176336235 /nfs/dbraw/zinc/33/62/35/176336235.db2.gz DZYMJEQBHPVFIT-NEPJUHHUSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@@H]1COCC[C@@H]1CNC(=O)NCCN(C)C ZINC000357857431 176338252 /nfs/dbraw/zinc/33/82/52/176338252.db2.gz HXMCLZYJAOZEAJ-GHMZBOCLSA-N 0 3 243.351 0.520 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@H]1CCOC[C@H]1C ZINC000355446678 176339950 /nfs/dbraw/zinc/33/99/50/176339950.db2.gz KQNQWJYIPZBIFA-MXWKQRLJSA-N 0 3 243.351 0.661 20 0 BCADHN C[C@@H]1COCC[C@@H]1NCc1cc(C(N)=O)co1 ZINC000354646606 176341286 /nfs/dbraw/zinc/34/12/86/176341286.db2.gz KQJPXECWFNKGDB-KCJUWKMLSA-N 0 3 238.287 0.893 20 0 BCADHN C[C@@H]1COCC[C@@H]1NCc1ccn(C)n1 ZINC000277814999 176341672 /nfs/dbraw/zinc/34/16/72/176341672.db2.gz KUJAMWZJSHFQBM-KOLCDFICSA-N 0 3 209.293 0.935 20 0 BCADHN C[C@@H]1COCC[C@H]1NCc1nccn1C ZINC000277890441 176345333 /nfs/dbraw/zinc/34/53/33/176345333.db2.gz OLVLREUWSRAOFZ-NXEZZACHSA-N 0 3 209.293 0.935 20 0 BCADHN C[C@@H]1COC[C@@H](C)N1C(=O)[C@@]1(F)CCNC1 ZINC000370766051 176346251 /nfs/dbraw/zinc/34/62/51/176346251.db2.gz JCLYTFPBBONXIC-FXPVBKGRSA-N 0 3 230.283 0.324 20 0 BCADHN C[C@@H]1CSCCN1C(=O)[C@@H](N)CC(F)F ZINC000309033785 176349813 /nfs/dbraw/zinc/34/98/13/176349813.db2.gz DMHRXKMPSYWWPI-RQJHMYQMSA-N 0 3 238.303 0.933 20 0 BCADHN C[C@@H]1CSC[C@@H]1NC(=O)N(C)CCN(C)C ZINC000357733262 176350991 /nfs/dbraw/zinc/35/09/91/176350991.db2.gz DOTFKSHPVAVWOY-ZJUUUORDSA-N 0 3 245.392 0.941 20 0 BCADHN C[C@@H]1CSCCN1C[C@H](O)CN(C)C1CC1 ZINC000336671385 176351473 /nfs/dbraw/zinc/35/14/73/176351473.db2.gz SFQUDCHYOLAZBG-ZYHUDNBSSA-N 0 3 244.404 0.879 20 0 BCADHN C[C@@H]1CSC[C@@H]1N[C@@H]1CCC(=O)N(C)C1=O ZINC000304536875 176352955 /nfs/dbraw/zinc/35/29/55/176352955.db2.gz RRQXKCBJCLQINI-HLTSFMKQSA-N 0 3 242.344 0.475 20 0 BCADHN C[C@@H]1CSC[C@H]1NCC(=O)N1CCC1 ZINC000308559304 176354797 /nfs/dbraw/zinc/35/47/97/176354797.db2.gz DEHNEANHVASUMT-RKDXNWHRSA-N 0 3 214.334 0.560 20 0 BCADHN C[C@@H]1CSC[C@H]1N[C@@H]1CCCN(C)C1=O ZINC000309098870 176355407 /nfs/dbraw/zinc/35/54/07/176355407.db2.gz DUYQXSMGAUACBV-OPRDCNLKSA-N 0 3 228.361 0.948 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)N(C)CCN(C)C)CO1 ZINC000353015111 176356597 /nfs/dbraw/zinc/35/65/97/176356597.db2.gz LBRRUPSPLGWZKU-NXEZZACHSA-N 0 3 214.309 0.431 20 0 BCADHN C[C@@H]1C[C@@H](C)CN(CC(=O)N2CCNCC2)C1 ZINC000019434778 176360720 /nfs/dbraw/zinc/36/07/20/176360720.db2.gz HXBAAJNRMXHTEV-VXGBXAGGSA-N 0 3 239.363 0.396 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)Cc2ccon2)CN1C1CC1 ZINC000333049715 176373368 /nfs/dbraw/zinc/37/33/68/176373368.db2.gz LAQICFYOPGNWNY-MWLCHTKSSA-N 0 3 249.314 0.959 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCO2)CCN1C ZINC000339361892 176373674 /nfs/dbraw/zinc/37/36/74/176373674.db2.gz LGDYKXHRLTYTFL-VWYCJHECSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N2CC(CO)C2)CCN1C ZINC000332452169 176373681 /nfs/dbraw/zinc/37/36/81/176373681.db2.gz NLXWTVISKZYRRH-KOLCDFICSA-N 0 3 241.335 0.103 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CSCN2)CCN1C ZINC000132975667 176374129 /nfs/dbraw/zinc/37/41/29/176374129.db2.gz YUYPTIUYMZBORP-UTLUCORTSA-N 0 3 243.376 0.248 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1Cc1c[nH]c2nccnc12 ZINC000329501869 176383428 /nfs/dbraw/zinc/38/34/28/176383428.db2.gz AHSCKEMOVBUIRQ-PSASIEDQSA-N 0 3 232.287 0.865 20 0 BCADHN 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IOJMUPMTTFNVKR-ATZCPNFKSA-N 0 3 226.320 0.356 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@H](O)C[C@H](C)C1 ZINC000401893933 226362760 /nfs/dbraw/zinc/36/27/60/226362760.db2.gz IOJMUPMTTFNVKR-IQJOONFLSA-N 0 3 226.320 0.356 20 0 BCADHN CN(C)C(=O)O[C@@H]1CCN(CCCCCO)C1 ZINC000496132213 226297534 /nfs/dbraw/zinc/29/75/34/226297534.db2.gz BNFGOIHSXCOYOL-LLVKDONJSA-N 0 3 244.335 0.922 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)OCC(F)(F)F ZINC000496178744 226298433 /nfs/dbraw/zinc/29/84/33/226298433.db2.gz NVXOXINHZIMPRF-LURJTMIESA-N 0 3 242.197 0.263 20 0 BCADHN CC(C)(C)OCCCN1C[C@@H](O)[C@@H](O)C1 ZINC000674908759 487650164 /nfs/dbraw/zinc/65/01/64/487650164.db2.gz AQDDOXVLHNOLIN-AOOOYVTPSA-N 0 3 217.309 0.229 20 0 BCADHN CN(C)C1(C(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000668328958 487652381 /nfs/dbraw/zinc/65/23/81/487652381.db2.gz LCRCYZRCIGJONU-SNVBAGLBSA-N 0 3 225.336 0.291 20 0 BCADHN CN1CC[C@@](O)(CNc2cc3c(nn2)CCC3)C1 ZINC000680830814 487655322 /nfs/dbraw/zinc/65/53/22/487655322.db2.gz OUXXQUYENPQSMT-CYBMUJFWSA-N 0 3 248.330 0.444 20 0 BCADHN C[C@@H]1CN(CCN(CCCO)C2CC2)CCO1 ZINC000669690224 487657395 /nfs/dbraw/zinc/65/73/95/487657395.db2.gz RMVZEWFIWYOYBW-GFCCVEGCSA-N 0 3 242.363 0.554 20 0 BCADHN CN(C)CCNc1ccc(C(=O)NC2CC2)cn1 ZINC000096674586 487657652 /nfs/dbraw/zinc/65/76/52/487657652.db2.gz PHLPFOJRKOKIPO-UHFFFAOYSA-N 0 3 248.330 0.947 20 0 BCADHN CCN1CCCN(c2ncnn2C)CC1 ZINC000653462939 487657885 /nfs/dbraw/zinc/65/78/85/487657885.db2.gz SYUNKCCKZIXBKB-UHFFFAOYSA-N 0 3 209.297 0.347 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccccn2)[C@@H](C)CN1 ZINC000062609455 262723984 /nfs/dbraw/zinc/72/39/84/262723984.db2.gz ANDMPELIKMOGMI-ZJUUUORDSA-N 0 3 219.288 0.904 20 0 BCADHN CC(C)NCC(=O)N(C)C[C@H]1CCCOC1 ZINC000082545360 487671061 /nfs/dbraw/zinc/67/10/61/487671061.db2.gz JTSSEWPUABQXFO-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CN ZINC000307652136 229218262 /nfs/dbraw/zinc/21/82/62/229218262.db2.gz JILKFMLNCFFGLX-AAEUAGOBSA-N 0 3 247.342 0.582 20 0 BCADHN CO[C@H]1C[C@@H](NCC(=O)N(C)C)C12CCC2 ZINC000308363247 229230895 /nfs/dbraw/zinc/23/08/95/229230895.db2.gz IFOJBCQNDURZAP-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@@H](C)NC(=O)C(N)C(F)(F)F ZINC000309016531 229298975 /nfs/dbraw/zinc/29/89/75/229298975.db2.gz UPKSTGSSSHOHLE-RFZPGFLSSA-N 0 3 214.187 0.027 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000512417233 229342731 /nfs/dbraw/zinc/34/27/31/229342731.db2.gz YWRBGQPYSWNXRI-VWYCJHECSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@H](CO)[C@H]1C ZINC000512414062 229343594 /nfs/dbraw/zinc/34/35/94/229343594.db2.gz CKCKVGKMAWALNI-HBNTYKKESA-N 0 3 243.351 0.349 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000512431360 229344338 /nfs/dbraw/zinc/34/43/38/229344338.db2.gz BAPGVTBVMPNRIK-HBNTYKKESA-N 0 3 243.351 0.755 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000512441193 229344346 /nfs/dbraw/zinc/34/43/46/229344346.db2.gz LYKHEQMWILQRHQ-GARJFASQSA-N 0 3 243.351 0.755 20 0 BCADHN C[C@@H](O)C[C@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000512441603 229344527 /nfs/dbraw/zinc/34/45/27/229344527.db2.gz QDTROSGKNQIOLC-LPEHRKFASA-N 0 3 231.340 0.395 20 0 BCADHN C[C@H]1CCCC[C@@H]1OCCN(CCO)CCO ZINC000304292052 229346197 /nfs/dbraw/zinc/34/61/97/229346197.db2.gz CWQWVOBHVJAPQY-STQMWFEESA-N 0 3 245.363 0.868 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccn(C)n1 ZINC000675148040 487675352 /nfs/dbraw/zinc/67/53/52/487675352.db2.gz ZSNXYXIEKNUUTM-CABZTGNLSA-N 0 3 248.330 0.633 20 0 BCADHN C[C@@H](CO)CN1CCN(C[C@H](C)O)C[C@H]1C ZINC000669692861 487676369 /nfs/dbraw/zinc/67/63/69/487676369.db2.gz BVNBGMYMXBLWOP-UTUOFQBUSA-N 0 3 230.352 0.002 20 0 BCADHN C[C@H]([NH3+])C[N-]S(=O)(=O)c1ccccc1F ZINC000082574707 487677045 /nfs/dbraw/zinc/67/70/45/487677045.db2.gz YHBFOXIXXOTMHS-ZETCQYMHSA-N 0 3 232.280 0.451 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)c1cccnc1 ZINC000054072190 487681098 /nfs/dbraw/zinc/68/10/98/487681098.db2.gz DMZMHTIQLURTAT-IUCAKERBSA-N 0 3 207.277 0.867 20 0 BCADHN COCCn1cc(NC(=O)CNC(C)C)cn1 ZINC000037610337 487680888 /nfs/dbraw/zinc/68/08/88/487680888.db2.gz NFGMCZZTSFYTTL-UHFFFAOYSA-N 0 3 240.307 0.466 20 0 BCADHN CNS(=O)(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000671672850 487682147 /nfs/dbraw/zinc/68/21/47/487682147.db2.gz SIOJNUVIBCCPJI-VHSXEESVSA-N 0 3 249.380 0.303 20 0 BCADHN CNC(=O)Cc1ccc(NC(=O)[C@H](C)NC)cc1 ZINC000054073790 487682441 /nfs/dbraw/zinc/68/24/41/487682441.db2.gz YHFQLSYKBJCEGO-VIFPVBQESA-N 0 3 249.314 0.522 20 0 BCADHN CNS(=O)(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000671674934 487682696 /nfs/dbraw/zinc/68/26/96/487682696.db2.gz YRQLQOZCKVFUNQ-AOOOYVTPSA-N 0 3 249.380 0.303 20 0 BCADHN C[C@@H](C(=O)NCCN(C)CCO)C(F)(F)F ZINC000899734575 584235444 /nfs/dbraw/zinc/23/54/44/584235444.db2.gz LGJHZBJHKOWPKN-ZETCQYMHSA-N 0 3 242.241 0.225 20 0 BCADHN C[C@H](CO)CN1CCO[C@@]2(CCCOC2)C1 ZINC000671696330 487695421 /nfs/dbraw/zinc/69/54/21/487695421.db2.gz DJLGCHIVQYGKQC-RYUDHWBXSA-N 0 3 229.320 0.496 20 0 BCADHN CCN(CCCO)CCCCS(C)(=O)=O ZINC000675298328 487696302 /nfs/dbraw/zinc/69/63/02/487696302.db2.gz QGGFLLUSNBJBDL-UHFFFAOYSA-N 0 3 237.365 0.516 20 0 BCADHN O[C@@H](CNCc1ccncc1)[C@H]1CCCO1 ZINC000527757343 262880073 /nfs/dbraw/zinc/88/00/73/262880073.db2.gz DNPXKWMEWNKMHU-NWDGAFQWSA-N 0 3 222.288 0.711 20 0 BCADHN CCn1nncc1CN[C@@H](C)[C@@H]1CCOC1 ZINC000527921508 262895372 /nfs/dbraw/zinc/89/53/72/262895372.db2.gz ZNNRQNZLLXHORY-VHSXEESVSA-N 0 3 224.308 0.813 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2cnns2)nn1 ZINC000384225778 487701826 /nfs/dbraw/zinc/70/18/26/487701826.db2.gz VDRQAIRSVYKXJN-VIFPVBQESA-N 0 3 238.320 0.762 20 0 BCADHN C[C@@H]1CCN(CCCS(C)(=O)=O)[C@H](CN)C1 ZINC000082643399 487704005 /nfs/dbraw/zinc/70/40/05/487704005.db2.gz BPQJTFFDQQPSEP-MNOVXSKESA-N 0 3 248.392 0.480 20 0 BCADHN Cc1cnn(C)c1CNC[C@@H]1CCCC(=O)N1 ZINC000671719276 487705109 /nfs/dbraw/zinc/70/51/09/487705109.db2.gz FMBHPKFTYRQBQL-JTQLQIEISA-N 0 3 236.319 0.487 20 0 BCADHN CN1CCC[C@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000669403042 487705736 /nfs/dbraw/zinc/70/57/36/487705736.db2.gz GKNBQMKDHWVHMD-NSHDSACASA-N 0 3 240.351 0.086 20 0 BCADHN CN1CCC[C@H](NC(=O)N2CCCNCC2)C1 ZINC000669403042 487705741 /nfs/dbraw/zinc/70/57/41/487705741.db2.gz GKNBQMKDHWVHMD-NSHDSACASA-N 0 3 240.351 0.086 20 0 BCADHN CN1CCC[C@H](NC(=O)Nc2cncnc2)C1 ZINC000681045915 487706189 /nfs/dbraw/zinc/70/61/89/487706189.db2.gz YNMQBWPZSFTACS-VIFPVBQESA-N 0 3 235.291 0.692 20 0 BCADHN CCN[C@H](C)C(=O)N(C)CC[C@@H](C)O ZINC000638006322 487709842 /nfs/dbraw/zinc/70/98/42/487709842.db2.gz CNTNNWJFTDLZDK-RKDXNWHRSA-N 0 3 202.298 0.214 20 0 BCADHN CCN[C@H](C)C(=O)N(C)CC[C@H](C)O ZINC000638006320 487710180 /nfs/dbraw/zinc/71/01/80/487710180.db2.gz CNTNNWJFTDLZDK-DTWKUNHWSA-N 0 3 202.298 0.214 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCCCO ZINC000233403470 487714250 /nfs/dbraw/zinc/71/42/50/487714250.db2.gz FIDOUAIJUBXGIU-JTQLQIEISA-N 0 3 202.298 0.393 20 0 BCADHN Cn1nccc1CN[C@H]1CCCNC(=O)C1 ZINC000082667623 487714946 /nfs/dbraw/zinc/71/49/46/487714946.db2.gz ZOTXPXBFSFUYBJ-VIFPVBQESA-N 0 3 222.292 0.178 20 0 BCADHN CC1(OCC(=O)N2CCc3ccccc32)CNC1 ZINC000098060266 487717982 /nfs/dbraw/zinc/71/79/82/487717982.db2.gz FFCSIJTZYUSEFD-UHFFFAOYSA-N 0 3 246.310 0.954 20 0 BCADHN C[C@H](N[C@H]1CCCN(C)C1)c1ccc(=O)[nH]n1 ZINC000671742459 487717733 /nfs/dbraw/zinc/71/77/33/487717733.db2.gz RUQYUIUUYDMYQZ-UWVGGRQHSA-N 0 3 236.319 0.927 20 0 BCADHN Cc1ccc(CNC(=O)COC2(C)CNC2)cc1 ZINC000098060358 487717862 /nfs/dbraw/zinc/71/78/62/487717862.db2.gz HQTICPOBMBADSO-UHFFFAOYSA-N 0 3 248.326 0.990 20 0 BCADHN CCCCOCCNC(=O)COC1(C)CNC1 ZINC000098061205 487718893 /nfs/dbraw/zinc/71/88/93/487718893.db2.gz DGNWMHOSOLDDPQ-UHFFFAOYSA-N 0 3 244.335 0.298 20 0 BCADHN C[C@@H]1CN(C(=O)COC2(C)CNC2)[C@H](C)CO1 ZINC000098061056 487719375 /nfs/dbraw/zinc/71/93/75/487719375.db2.gz BGCMHLISCWGQGS-NXEZZACHSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@@H](C(=O)NCCN1CCCC[C@@H]1C)N(C)C ZINC000674245421 487718863 /nfs/dbraw/zinc/71/88/63/487718863.db2.gz LXOWVDAJGQIWSH-RYUDHWBXSA-N 0 3 241.379 0.927 20 0 BCADHN CC(C(=O)NC1CC=CC1)S(C)(=O)=O ZINC000675368126 487720272 /nfs/dbraw/zinc/72/02/72/487720272.db2.gz FFTZENCOYGJJAR-SSDOTTSWSA-N 0 3 217.290 0.254 20 0 BCADHN CN(Cc1ccccn1)C(=O)COC1(C)CNC1 ZINC000098061798 487720321 /nfs/dbraw/zinc/72/03/21/487720321.db2.gz AVRDCMPOHDILMJ-UHFFFAOYSA-N 0 3 249.314 0.419 20 0 BCADHN C[C@H](NC(=O)COC1(C)CNC1)c1ccccn1 ZINC000098061549 487720510 /nfs/dbraw/zinc/72/05/10/487720510.db2.gz ZTPOQBAXOZKOBS-JTQLQIEISA-N 0 3 249.314 0.637 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CCC2(CCO2)CC1 ZINC000669749739 487721025 /nfs/dbraw/zinc/72/10/25/487721025.db2.gz OTTHFZIISFZVAF-NSHDSACASA-N 0 3 238.331 0.862 20 0 BCADHN Cc1ncccc1NC(=O)COC1(C)CNC1 ZINC000098061623 487720781 /nfs/dbraw/zinc/72/07/81/487720781.db2.gz NMLFKJRNWKPMTM-UHFFFAOYSA-N 0 3 235.287 0.707 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCC[C@H]2O)CCN1CCO ZINC000249583629 487721907 /nfs/dbraw/zinc/72/19/07/487721907.db2.gz SCFHWXJFWGUXSF-JHJVBQTASA-N 0 3 242.363 0.288 20 0 BCADHN O=C1CC[C@@H]2CN(CCc3cn[nH]c3)CC[C@H]2N1 ZINC000661596402 487727020 /nfs/dbraw/zinc/72/70/20/487727020.db2.gz IHRBUAVOSPTMCW-VXGBXAGGSA-N 0 3 248.330 0.553 20 0 BCADHN CCOCCN(CC)C(=S)NCCN(C)C ZINC000730731718 584914810 /nfs/dbraw/zinc/91/48/10/584914810.db2.gz LIXIMIUWOZXQME-UHFFFAOYSA-N 0 3 247.408 0.781 20 0 BCADHN CC(C)[C@@H]1C[C@@H](N[C@H]2CCNC2=O)CS1 ZINC000668425034 487732253 /nfs/dbraw/zinc/73/22/53/487732253.db2.gz FOURUILRFOYJCE-UTLUCORTSA-N 0 3 228.361 0.995 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000250778287 487739748 /nfs/dbraw/zinc/73/97/48/487739748.db2.gz VTWQCOIGKQLDOB-MVWJERBFSA-N 0 3 240.347 0.914 20 0 BCADHN CC(C)N1CCN(C(=O)C2(N(C)C)CC2)CC1 ZINC000666142427 487740365 /nfs/dbraw/zinc/74/03/65/487740365.db2.gz BIKABGSJFBPVED-UHFFFAOYSA-N 0 3 239.363 0.633 20 0 BCADHN Cc1c[nH]nc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000669600365 487740651 /nfs/dbraw/zinc/74/06/51/487740651.db2.gz PTXORPFNHYQXHN-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000250805905 487741150 /nfs/dbraw/zinc/74/11/50/487741150.db2.gz IATQISORKVEDHI-XQQFMLRXSA-N 0 3 246.310 0.934 20 0 BCADHN COc1cc(NC(=O)[C@H]2CCN2)ccn1 ZINC000384781621 487746004 /nfs/dbraw/zinc/74/60/04/487746004.db2.gz NFFGTSCZOSNZHG-MRVPVSSYSA-N 0 3 207.233 0.391 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)Cc1ccccn1 ZINC000655500013 487747472 /nfs/dbraw/zinc/74/74/72/487747472.db2.gz TYQBWQCDRKYMMI-KOLCDFICSA-N 0 3 221.304 0.866 20 0 BCADHN CN(C[C@@H](O)C(C)(C)C)C[C@@H]1COCCO1 ZINC000661609532 487747580 /nfs/dbraw/zinc/74/75/80/487747580.db2.gz BBAPRBLSMKWNMD-GHMZBOCLSA-N 0 3 231.336 0.741 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)Cc1ccccn1 ZINC000655500015 487747657 /nfs/dbraw/zinc/74/76/57/487747657.db2.gz TYQBWQCDRKYMMI-ONGXEEELSA-N 0 3 221.304 0.866 20 0 BCADHN CC(C)NCC(=O)N(C)C[C@@H]1CCCO1 ZINC000042465894 487750377 /nfs/dbraw/zinc/75/03/77/487750377.db2.gz OJDUHGGNTRNDSO-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN CCN(C(=O)NC[C@H](C)OC)[C@H]1CCN(C)C1 ZINC000666215806 487756936 /nfs/dbraw/zinc/75/69/36/487756936.db2.gz SMSBYUQCJOMOTF-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN CS(=O)(=O)N[C@H]1CCCN(CC2CC2)C1 ZINC000675639034 487757407 /nfs/dbraw/zinc/75/74/07/487757407.db2.gz FMUFRVFUMSIJNE-JTQLQIEISA-N 0 3 232.349 0.410 20 0 BCADHN CC(C)CN(C)C(=O)N[C@@H]1CCN(C)C1 ZINC000744857250 585153918 /nfs/dbraw/zinc/15/39/18/585153918.db2.gz JHMAHLOQNONDTP-SNVBAGLBSA-N 0 3 213.325 0.988 20 0 BCADHN CON(C)C(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000746494554 585168812 /nfs/dbraw/zinc/16/88/12/585168812.db2.gz JKNJNNCKJRJPFT-NXEZZACHSA-N 0 3 214.309 0.984 20 0 BCADHN CC(C)n1nccc1CNC[C@@H]1CCC(=O)N1 ZINC000394626996 487760632 /nfs/dbraw/zinc/76/06/32/487760632.db2.gz WXWYOCMYJHPSHV-JTQLQIEISA-N 0 3 236.319 0.832 20 0 BCADHN C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)C ZINC000666243441 487765422 /nfs/dbraw/zinc/76/54/22/487765422.db2.gz IHLWHACQFHEZEY-SSDOTTSWSA-N 0 3 244.726 0.753 20 0 BCADHN CCc1ccc(CN2C[C@H](O)[C@@H](O)C2)s1 ZINC000234160325 487766126 /nfs/dbraw/zinc/76/61/26/487766126.db2.gz CCRVKKAYFKSAJJ-QWRGUYRKSA-N 0 3 227.329 0.848 20 0 BCADHN CCN(C(=O)NC[C@@H](C)OC)[C@@H]1CCN(C)C1 ZINC000666255522 487768085 /nfs/dbraw/zinc/76/80/85/487768085.db2.gz SMSBYUQCJOMOTF-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN Cc1nnc(CC(=O)NC[C@@H](C)N(C)C)s1 ZINC000666243944 487768764 /nfs/dbraw/zinc/76/87/64/487768764.db2.gz QDXJWZVEXQJKGJ-SSDOTTSWSA-N 0 3 242.348 0.455 20 0 BCADHN CNC(=O)CCN[C@H](C)c1cnc(C)nc1C ZINC000675771384 487776708 /nfs/dbraw/zinc/77/67/08/487776708.db2.gz PQVQVIXDKGQMLE-MRVPVSSYSA-N 0 3 236.319 0.880 20 0 BCADHN C[C@@H]1C[C@H](N(C)CC(=O)NC2CC2)CCO1 ZINC000659830726 487779084 /nfs/dbraw/zinc/77/90/84/487779084.db2.gz KJMUOIPYVZUOAY-MWLCHTKSSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](CNC(=O)[C@H](C)N(C)C)N1CCCC1 ZINC000674287626 487779141 /nfs/dbraw/zinc/77/91/41/487779141.db2.gz KNJVRRLYLWWNCI-MNOVXSKESA-N 0 3 227.352 0.537 20 0 BCADHN C[C@@H]1CN(C[C@H]2CNCCO2)CC(C)(C)O1 ZINC000251646238 487781124 /nfs/dbraw/zinc/78/11/24/487781124.db2.gz JNBLWOULTCBLFA-GHMZBOCLSA-N 0 3 228.336 0.474 20 0 BCADHN C[C@@H]1CCN(CCS(N)(=O)=O)C[C@H]1C ZINC000766984891 585512598 /nfs/dbraw/zinc/51/25/98/585512598.db2.gz PAOKRHCLJSYEED-RKDXNWHRSA-N 0 3 220.338 0.253 20 0 BCADHN C[C@@H](CN1CCCCC1)NC(=O)[C@@H](O)C1CC1 ZINC000666316553 487785324 /nfs/dbraw/zinc/78/53/24/487785324.db2.gz DQKMBCULFFMKRE-JQWIXIFHSA-N 0 3 240.347 0.748 20 0 BCADHN CCC[C@@H](O)CNC(=O)NCCN(C)C1CC1 ZINC000359307382 487786249 /nfs/dbraw/zinc/78/62/49/487786249.db2.gz GSCMVKLYTJUCLF-LLVKDONJSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H](CNC(=O)[C@H]1C[C@]12CCOC2)N(C)C ZINC000359316918 487786849 /nfs/dbraw/zinc/78/68/49/487786849.db2.gz SADKYKGDFNVXTK-FOGDFJRCSA-N 0 3 226.320 0.479 20 0 BCADHN Cc1c(CN(C)C[C@@H](C)CO)cnn1C ZINC000675892716 487787976 /nfs/dbraw/zinc/78/79/76/487787976.db2.gz SIHWUPHMNVRGEK-SECBINFHSA-N 0 3 211.309 0.789 20 0 BCADHN C[C@H](CNC(=O)C(=O)c1ccc[nH]1)CN(C)C ZINC000296621937 487790540 /nfs/dbraw/zinc/79/05/40/487790540.db2.gz QFEBYKPYIQEWPE-SECBINFHSA-N 0 3 237.303 0.511 20 0 BCADHN CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000408119933 487791537 /nfs/dbraw/zinc/79/15/37/487791537.db2.gz AYNFMZVWCYYVIN-ONGXEEELSA-N 0 3 241.335 0.064 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644814094 487791615 /nfs/dbraw/zinc/79/16/15/487791615.db2.gz HXMZIENQPGYCRL-ONGXEEELSA-N 0 3 234.303 0.494 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000307341208 487792880 /nfs/dbraw/zinc/79/28/80/487792880.db2.gz URMJDRBETBPAEM-VGMNWLOBSA-N 0 3 200.282 0.278 20 0 BCADHN CCOCCO[N-]C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000772690916 585620918 /nfs/dbraw/zinc/62/09/18/585620918.db2.gz HBGRBUFHYPMZFL-SECBINFHSA-N 0 3 216.281 0.022 20 0 BCADHN CCOCCO[N-]C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000772690916 585620919 /nfs/dbraw/zinc/62/09/19/585620919.db2.gz HBGRBUFHYPMZFL-SECBINFHSA-N 0 3 216.281 0.022 20 0 BCADHN C[C@@H]1CN(CC2OCCO2)[C@H](C)CN1C ZINC000777717199 585718731 /nfs/dbraw/zinc/71/87/31/585718731.db2.gz QWXYTEHVQIALDP-NXEZZACHSA-N 0 3 214.309 0.384 20 0 BCADHN COCc1nc(C(=O)NC[C@@H](C)N(C)C)co1 ZINC000681469694 487800119 /nfs/dbraw/zinc/80/01/19/487800119.db2.gz DHHLJAILOHEPEU-MRVPVSSYSA-N 0 3 241.291 0.501 20 0 BCADHN O=C(NCCN1CCCCC1)[C@H](O)C1CC1 ZINC000666424055 487805197 /nfs/dbraw/zinc/80/51/97/487805197.db2.gz BIMASZRXLYRQPG-LLVKDONJSA-N 0 3 226.320 0.359 20 0 BCADHN CN(C)CCNC(=O)NCCC(C)(C)F ZINC000666430514 487807550 /nfs/dbraw/zinc/80/75/50/487807550.db2.gz VOQGSYVPRJSOKA-UHFFFAOYSA-N 0 3 219.304 0.985 20 0 BCADHN CC(C)(CN1CCOCC1)NCc1cn[nH]c1 ZINC000666443446 487810715 /nfs/dbraw/zinc/81/07/15/487810715.db2.gz YCWVLZUKCNQMPI-UHFFFAOYSA-N 0 3 238.335 0.610 20 0 BCADHN COC(CN1CCN(C)[C@@H](C)[C@H]1C)OC ZINC000781902942 585805261 /nfs/dbraw/zinc/80/52/61/585805261.db2.gz PDGQCAOSVUEJFG-VHSXEESVSA-N 0 3 216.325 0.630 20 0 BCADHN COC(CN1C[C@H](C)N(C)C[C@@H]1C)OC ZINC000781903793 585805256 /nfs/dbraw/zinc/80/52/56/585805256.db2.gz XPUGHVYCSHVFJM-UWVGGRQHSA-N 0 3 216.325 0.630 20 0 BCADHN c1ncn([C@@H]2CCN(CCOCC3CC3)C2)n1 ZINC000681601186 487821653 /nfs/dbraw/zinc/82/16/53/487821653.db2.gz HZIKTAKUSDVYHL-GFCCVEGCSA-N 0 3 236.319 0.952 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccc(F)cn3)[C@H]2C1 ZINC000644816091 487822046 /nfs/dbraw/zinc/82/20/46/487822046.db2.gz UIQKBIAQHPNVKI-SKDRFNHKSA-N 0 3 249.289 0.997 20 0 BCADHN C[C@@H](CO)CN1CC[C@H](n2cncn2)C1 ZINC000681606169 487824266 /nfs/dbraw/zinc/82/42/66/487824266.db2.gz KXLONCJWUBIXPK-ZJUUUORDSA-N 0 3 210.281 0.153 20 0 BCADHN CO[C@@H](C)CNC[C@@H](O)C(F)(F)F ZINC000224188515 487825388 /nfs/dbraw/zinc/82/53/88/487825388.db2.gz ZYUVQPAXTCCYSR-NTSWFWBYSA-N 0 3 201.188 0.534 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CC[C@@H](n2cncn2)C1 ZINC000681628978 487826173 /nfs/dbraw/zinc/82/61/73/487826173.db2.gz QLIGXDPLNLHSBD-MNOVXSKESA-N 0 3 249.318 0.146 20 0 BCADHN COC[C@H](O)CNCc1cc2cnccc2o1 ZINC000651796084 487827020 /nfs/dbraw/zinc/82/70/20/487827020.db2.gz LORHHXUXIZAOON-SNVBAGLBSA-N 0 3 236.271 0.925 20 0 BCADHN C[C@H](N)C(=O)N(Cc1ccccc1)C[C@H](C)O ZINC000306225609 322944810 /nfs/dbraw/zinc/94/48/10/322944810.db2.gz FSRLLBRORRJKJL-QWRGUYRKSA-N 0 3 236.315 0.743 20 0 BCADHN CN(CCCn1ccnc1)CC[S@@](C)=O ZINC000798196922 586139975 /nfs/dbraw/zinc/13/99/75/586139975.db2.gz QYLQOGMKXGLQTR-OAHLLOKOSA-N 0 3 229.349 0.584 20 0 BCADHN C[C@@H](CF)NC(=S)NC1CCN(C)CC1 ZINC000814205638 586617878 /nfs/dbraw/zinc/61/78/78/586617878.db2.gz JLFNIWUILVXPQS-QMMMGPOBSA-N 0 3 233.356 0.903 20 0 BCADHN COC[C@H]1CCCN1C(=O)N[C@@H](C)CN(C)C ZINC000673186384 487831207 /nfs/dbraw/zinc/83/12/07/487831207.db2.gz PUWKIYPRUADUGB-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC=CCC1 ZINC000673186632 487831738 /nfs/dbraw/zinc/83/17/38/487831738.db2.gz QCPOZCQRIXEZGM-JTQLQIEISA-N 0 3 211.309 0.908 20 0 BCADHN CN(CC[S@@](C)=O)C[C@@H]1CCCN(C)C1 ZINC000827878463 587407057 /nfs/dbraw/zinc/40/70/57/587407057.db2.gz WUXYTDZKRBGIKC-IAQYHMDHSA-N 0 3 232.393 0.639 20 0 BCADHN CC(C)CC(=O)CCN(CCO)CCCO ZINC000827918991 587410162 /nfs/dbraw/zinc/41/01/62/587410162.db2.gz AVQKJKGZDSZZPU-UHFFFAOYSA-N 0 3 231.336 0.668 20 0 BCADHN COC[C@H]1CCN(CC[S@@](C)=O)C1 ZINC000827936183 587411129 /nfs/dbraw/zinc/41/11/29/587411129.db2.gz GIBNUXXMFZCPFV-TVQRCGJNSA-N 0 3 205.323 0.333 20 0 BCADHN COC(=O)[C@@H]1CCN(CC[S@@](C)=O)[C@@H]1C ZINC000828408951 587439224 /nfs/dbraw/zinc/43/92/24/587439224.db2.gz VSVWDTKZQMNEST-KEMUVXCRSA-N 0 3 233.333 0.248 20 0 BCADHN COC(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000834568801 587759544 /nfs/dbraw/zinc/75/95/44/587759544.db2.gz CYEJHUMWLXTSJP-SNVBAGLBSA-N 0 3 216.281 0.141 20 0 BCADHN CCNC(=O)C(C)(C)NCCOC(C)C ZINC000313072012 322947015 /nfs/dbraw/zinc/94/70/15/322947015.db2.gz FKWCTCPRMJTJEN-UHFFFAOYSA-N 0 3 216.325 0.916 20 0 BCADHN CCO/C=C/C(=O)NC[C@@H]1CCCN1C ZINC000493518718 528481820 /nfs/dbraw/zinc/48/18/20/528481820.db2.gz KVOCLIWZXMEYHK-PCGIRMHASA-N 0 3 212.293 0.747 20 0 BCADHN COC1(CC(=O)N2CCCNCC2)CCC1 ZINC000234573281 487840906 /nfs/dbraw/zinc/84/09/06/487840906.db2.gz VZNCASAKHRPJLO-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN CO[C@@H]1CCN(C[C@@H]2COC(C)(C)O2)C1 ZINC000851800068 588630731 /nfs/dbraw/zinc/63/07/31/588630731.db2.gz HBWRDUKMJFNHKF-NXEZZACHSA-N 0 3 215.293 0.859 20 0 BCADHN CCNC(=O)[C@@H](NCCOC(F)F)C(C)C ZINC000852089954 588660940 /nfs/dbraw/zinc/66/09/40/588660940.db2.gz YENGBISYHWIPJV-QMMMGPOBSA-N 0 3 238.278 0.976 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@H](CO)C1 ZINC000305112402 528809852 /nfs/dbraw/zinc/80/98/52/528809852.db2.gz DJHNYWITDDLCCI-NSHDSACASA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CC[C@H](O)[C@H](C)C1 ZINC000164621703 487844485 /nfs/dbraw/zinc/84/44/85/487844485.db2.gz JPDRZEJAFUAOCJ-UTLUCORTSA-N 0 3 214.309 0.166 20 0 BCADHN CC[C@H](C[C@@H](C)O)NC[C@@H](C)S(C)(=O)=O ZINC000872240931 589899185 /nfs/dbraw/zinc/89/91/85/589899185.db2.gz KCHVAEIPVHDVOR-OPRDCNLKSA-N 0 3 237.365 0.559 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)CCC1OCCO1 ZINC000126027938 590215886 /nfs/dbraw/zinc/21/58/86/590215886.db2.gz RHPNTPLUXPFOPH-RFAUZJTJSA-N 0 3 235.349 0.448 20 0 BCADHN C[C@@H](CO)CN1CCC(O)(C(F)F)CC1 ZINC000681709529 487845608 /nfs/dbraw/zinc/84/56/08/487845608.db2.gz HXLRUJFGEKVHQC-MRVPVSSYSA-N 0 3 223.263 0.707 20 0 BCADHN CC[C@@H](OC)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655510737 487846131 /nfs/dbraw/zinc/84/61/31/487846131.db2.gz SREXTPVAYRGITF-RITPCOANSA-N 0 3 228.214 0.417 20 0 BCADHN O=C(CN1CC[C@H]2CCC[C@@H]21)N1CCNC1=O ZINC000681710441 487846475 /nfs/dbraw/zinc/84/64/75/487846475.db2.gz SDLCHVFQUFKVIC-ZJUUUORDSA-N 0 3 237.303 0.413 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCC(C)(C)CO ZINC000676402723 487847496 /nfs/dbraw/zinc/84/74/96/487847496.db2.gz IWPDSKMADAMFEE-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC(C)(C)CO ZINC000676402922 487847622 /nfs/dbraw/zinc/84/76/22/487847622.db2.gz ZKMSZVDOFKBSDF-PHIMTYICSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@@H](CCO)C1 ZINC000676407247 487847658 /nfs/dbraw/zinc/84/76/58/487847658.db2.gz AHAOMLGSBPKALT-LBPRGKRZSA-N 0 3 242.363 0.948 20 0 BCADHN CN1CCC(C(=O)NCC(C)(C)CO)CC1 ZINC000676402964 487847974 /nfs/dbraw/zinc/84/79/74/487847974.db2.gz VHRJWZZZDOQKBB-UHFFFAOYSA-N 0 3 228.336 0.463 20 0 BCADHN COCC[C@@H](N)C(=O)NCCC(C)(C)C ZINC000130032800 592734000 /nfs/dbraw/zinc/73/40/00/592734000.db2.gz VBCFFHVNDAPJHS-SECBINFHSA-N 0 3 216.325 0.903 20 0 BCADHN CCC(CC)CNC(=O)[C@@H](N)CCOC ZINC000130355373 592735372 /nfs/dbraw/zinc/73/53/72/592735372.db2.gz LXTGCEXHLQRWQS-JTQLQIEISA-N 0 3 216.325 0.903 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@H](C)OC[C@H]1C ZINC000040460175 322951860 /nfs/dbraw/zinc/95/18/60/322951860.db2.gz LTKXTDXNYHPXQE-UTLUCORTSA-N 0 3 214.309 0.606 20 0 BCADHN CSC[C@H](O)CN1CCOC[C@H](C)C1 ZINC000372920002 487854382 /nfs/dbraw/zinc/85/43/82/487854382.db2.gz AHNGUPRIPBILNV-NXEZZACHSA-N 0 3 219.350 0.679 20 0 BCADHN CO[C@]1(CO)CCCN(Cc2[nH]ncc2C)C1 ZINC000668498468 487856156 /nfs/dbraw/zinc/85/61/56/487856156.db2.gz KPOJBQGNLHPKTC-GFCCVEGCSA-N 0 3 239.319 0.691 20 0 BCADHN CCOCC[C@@H](O)CN1CCOCC[C@H]1C ZINC000373074059 487859021 /nfs/dbraw/zinc/85/90/21/487859021.db2.gz JFYPZZPPMDAXES-VXGBXAGGSA-N 0 3 231.336 0.885 20 0 BCADHN CC(=O)N[C@@H]1CCN(CCOC2CC2)C1 ZINC000930748079 639894039 /nfs/dbraw/zinc/89/40/39/639894039.db2.gz MQDRFBSEXVLLQQ-SNVBAGLBSA-N 0 3 212.293 0.376 20 0 BCADHN CCOCC[C@@H](O)CN1CCOCC[C@@H]1C ZINC000373074057 487859257 /nfs/dbraw/zinc/85/92/57/487859257.db2.gz JFYPZZPPMDAXES-NWDGAFQWSA-N 0 3 231.336 0.885 20 0 BCADHN C[C@@H](CN1CCO[C@@H](C(N)=O)C1)C(C)(C)C ZINC000670263193 487861998 /nfs/dbraw/zinc/86/19/98/487861998.db2.gz QJVBCDMHGMEGEE-VHSXEESVSA-N 0 3 228.336 0.855 20 0 BCADHN CC(C)SCCN1CC(C)(C(N)=O)C1 ZINC000564915904 322958649 /nfs/dbraw/zinc/95/86/49/322958649.db2.gz FCPNHJUIHWOPPM-UHFFFAOYSA-N 0 3 216.350 0.935 20 0 BCADHN CCc1nocc1CNCCN1CCOCC1 ZINC000559232966 322960225 /nfs/dbraw/zinc/96/02/25/322960225.db2.gz LIPVQDPMWNFQBQ-UHFFFAOYSA-N 0 3 239.319 0.659 20 0 BCADHN C[C@@H]1COCCCN1C(=O)C1CCN(C)CC1 ZINC000676537703 487870167 /nfs/dbraw/zinc/87/01/67/487870167.db2.gz YTZUWYYXVGFEMZ-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H]1COCCCN1C(=O)C1CCN(C)CC1 ZINC000676537704 487870774 /nfs/dbraw/zinc/87/07/74/487870774.db2.gz YTZUWYYXVGFEMZ-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1SCC[C@H]1NC(=O)[C@@H](N)CC(F)F ZINC000379997740 487875818 /nfs/dbraw/zinc/87/58/18/487875818.db2.gz KNIXBQQPZRMLDL-LYFYHCNISA-N 0 3 238.303 0.979 20 0 BCADHN C[C@H]1CN(C(=O)c2ccnc(CN)c2)[C@@H](C)CN1 ZINC000564931833 322963409 /nfs/dbraw/zinc/96/34/09/322963409.db2.gz VCNLISKJAHLVHE-UWVGGRQHSA-N 0 3 248.330 0.363 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000566190555 322963442 /nfs/dbraw/zinc/96/34/42/322963442.db2.gz HFTOSTTZBQVOIT-KWQFWETISA-N 0 3 248.330 0.524 20 0 BCADHN Cc1cn(C)nc1NC(=O)N(C)CCN(C)C ZINC000668215050 487878955 /nfs/dbraw/zinc/87/89/55/487878955.db2.gz SMAZGHLGOFJINN-UHFFFAOYSA-N 0 3 239.323 0.754 20 0 BCADHN COCC(COC)N[C@H]1CO[C@H](C2CC2)C1 ZINC000668219943 487881640 /nfs/dbraw/zinc/88/16/40/487881640.db2.gz YZXXNLOPOIQQIV-PWSUYJOCSA-N 0 3 229.320 0.805 20 0 BCADHN COCCOC(=O)NC1CCN(C)CC1 ZINC000199983477 644505083 /nfs/dbraw/zinc/50/50/83/644505083.db2.gz OKDOVXIOYUIQJO-UHFFFAOYSA-N 0 3 216.281 0.453 20 0 BCADHN COCCO[C@H]1CCN([C@H]2CCCOC2)C1 ZINC000682039043 487887753 /nfs/dbraw/zinc/88/77/53/487887753.db2.gz WATZZTGPKCAMRJ-RYUDHWBXSA-N 0 3 229.320 0.903 20 0 BCADHN CN(C(=O)CN1CCCCC[C@H]1CO)C1CC1 ZINC000156982014 487887770 /nfs/dbraw/zinc/88/77/70/487887770.db2.gz RFLBLGKIBJUKRW-LBPRGKRZSA-N 0 3 240.347 0.844 20 0 BCADHN CO[C@@H]1CN(Cc2cccc(N)c2)C[C@H]1O ZINC000395996859 487888611 /nfs/dbraw/zinc/88/86/11/487888611.db2.gz KMQQJSSSZFANNU-VXGBXAGGSA-N 0 3 222.288 0.460 20 0 BCADHN COc1ncccc1CN[C@@H]1CCCNC(=O)C1 ZINC000111825753 487892060 /nfs/dbraw/zinc/89/20/60/487892060.db2.gz KVWMKMKMNPHDTR-LLVKDONJSA-N 0 3 249.314 0.849 20 0 BCADHN CCn1cc([C@H](C)N[C@H]2C[C@@H](C(N)=O)C2)cn1 ZINC000652256849 487894047 /nfs/dbraw/zinc/89/40/47/487894047.db2.gz GOWYAWHJLPFTBJ-ATZCPNFKSA-N 0 3 236.319 0.818 20 0 BCADHN NC[C@@H](NC(=O)c1cocn1)C(F)(F)F ZINC000655516549 487897571 /nfs/dbraw/zinc/89/75/71/487897571.db2.gz VJVGQKDSSNOZCE-RXMQYKEDSA-N 0 3 223.154 0.294 20 0 BCADHN COC[C@@H](C)CN1CCN([C@H]2CCOC2)CC1 ZINC000668535658 487899176 /nfs/dbraw/zinc/89/91/76/487899176.db2.gz NYRJCGKWTKVIIO-STQMWFEESA-N 0 3 242.363 0.675 20 0 BCADHN C[C@H]1COCCCN1C[C@H](O)Cn1cccn1 ZINC000676713140 487899435 /nfs/dbraw/zinc/89/94/35/487899435.db2.gz NKGFPVXEBSWGTK-RYUDHWBXSA-N 0 3 239.319 0.355 20 0 BCADHN C[C@@H]1COCCCN1C[C@@H](O)Cn1cccn1 ZINC000676713141 487900065 /nfs/dbraw/zinc/90/00/65/487900065.db2.gz NKGFPVXEBSWGTK-VXGBXAGGSA-N 0 3 239.319 0.355 20 0 BCADHN CCCn1nccc1CNC[C@@H](O)COC ZINC000164846164 487902497 /nfs/dbraw/zinc/90/24/97/487902497.db2.gz IUPIFDTVSKPSGN-LLVKDONJSA-N 0 3 227.308 0.390 20 0 BCADHN CCN(C)CCNC(=O)NC[C@@H]1CCCO1 ZINC000066982549 487903346 /nfs/dbraw/zinc/90/33/46/487903346.db2.gz URIWKWWZYBZYLY-JTQLQIEISA-N 0 3 229.324 0.416 20 0 BCADHN COc1cccc(OC)c1CNC(=O)[C@H](C)N ZINC000083365686 487903740 /nfs/dbraw/zinc/90/37/40/487903740.db2.gz YCAQJWXVGLCBBJ-QMMMGPOBSA-N 0 3 238.287 0.667 20 0 BCADHN COC[C@@H]1CCCN1CCn1cncn1 ZINC000674499650 487903788 /nfs/dbraw/zinc/90/37/88/487903788.db2.gz DPNPXZBPJXMETN-JTQLQIEISA-N 0 3 210.281 0.389 20 0 BCADHN CCCN1CC[C@H](NC(=O)NC[C@H](O)CC)C1 ZINC000666920088 487904413 /nfs/dbraw/zinc/90/44/13/487904413.db2.gz MLCJRCWGUPLAFK-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N[C@H]2C[C@H](O)C2)C1 ZINC000666920018 487904514 /nfs/dbraw/zinc/90/45/14/487904514.db2.gz KTWCTEOVVAVTGO-GMTAPVOTSA-N 0 3 241.335 0.293 20 0 BCADHN CCCN1CC[C@H](NC(=O)NC[C@@H](O)CC)C1 ZINC000666921083 487904687 /nfs/dbraw/zinc/90/46/87/487904687.db2.gz MLCJRCWGUPLAFK-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN CCC[C@@H](O)CC(=O)NC[C@@H](C)N(C)C ZINC000676737614 487909348 /nfs/dbraw/zinc/90/93/48/487909348.db2.gz AUCRZMXQXTYBDX-NXEZZACHSA-N 0 3 216.325 0.604 20 0 BCADHN CCC[C@@H](C)NC(=O)N1CCOC2(CNC2)C1 ZINC000668541209 487911468 /nfs/dbraw/zinc/91/14/68/487911468.db2.gz IYHBGULKGZVXGR-SNVBAGLBSA-N 0 3 241.335 0.559 20 0 BCADHN CCNC(=O)CN[C@@H](COC)C1CCOCC1 ZINC000682131332 487911631 /nfs/dbraw/zinc/91/16/31/487911631.db2.gz ZAMSJBQXJVJPLY-NSHDSACASA-N 0 3 244.335 0.154 20 0 BCADHN O[C@H](CNCC1(O)CCCC1)C(F)(F)F ZINC000083466174 487913555 /nfs/dbraw/zinc/91/35/55/487913555.db2.gz CFPIZINJOQMHAV-SSDOTTSWSA-N 0 3 227.226 0.804 20 0 BCADHN COC[C@@H](C)CN(CC(N)=O)C1CCCC1 ZINC000682151705 487914576 /nfs/dbraw/zinc/91/45/76/487914576.db2.gz SZHHCZNSSCVVIC-JTQLQIEISA-N 0 3 228.336 0.999 20 0 BCADHN CCC[C@H](O)CC(=O)N[C@H]1CCCN(C)C1 ZINC000676750341 487916759 /nfs/dbraw/zinc/91/67/59/487916759.db2.gz VTXJWHWCTBPDCR-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN COC[C@H](C)CN1CCN(C(C)(C)CO)CC1 ZINC000682155065 487917264 /nfs/dbraw/zinc/91/72/64/487917264.db2.gz JFDUKQGQUPNTTE-GFCCVEGCSA-N 0 3 244.379 0.657 20 0 BCADHN Cc1cc(CC(=O)N2CC[C@H]3CN(C)C[C@H]32)on1 ZINC000652322636 487918864 /nfs/dbraw/zinc/91/88/64/487918864.db2.gz QGYSVDADFIJBCX-CMPLNLGQSA-N 0 3 249.314 0.688 20 0 BCADHN CN(C)C1(CNC(=O)c2ccn(C)n2)CCC1 ZINC000682168336 487923267 /nfs/dbraw/zinc/92/32/67/487923267.db2.gz DVNDAXISGAQLQY-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN c1n[nH]c2c1CCN([C@@H]1CCCOC1)C2 ZINC000676794723 487926878 /nfs/dbraw/zinc/92/68/78/487926878.db2.gz ZINXYFSZPKNDHM-SNVBAGLBSA-N 0 3 207.277 0.947 20 0 BCADHN COC[C@@H]1CN(C[C@H](C)CO)C[C@H](C)O1 ZINC000682221745 487929958 /nfs/dbraw/zinc/92/99/58/487929958.db2.gz KYUHCOCMESGIST-DCAQKATOSA-N 0 3 217.309 0.351 20 0 BCADHN COc1cc(CNC[C@@](C)(O)CO)ccc1C ZINC000684536333 487936529 /nfs/dbraw/zinc/93/65/29/487936529.db2.gz AHYUCKKYTWJPNZ-CYBMUJFWSA-N 0 3 239.315 0.837 20 0 BCADHN NC(=O)CN(CCn1cccn1)C1CCCC1 ZINC000049000473 487937740 /nfs/dbraw/zinc/93/77/40/487937740.db2.gz CQSKQYMIIYGGGD-UHFFFAOYSA-N 0 3 236.319 0.613 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CC(C(F)F)C1 ZINC000682360787 487937867 /nfs/dbraw/zinc/93/78/67/487937867.db2.gz SJWGIEAUHJMZGG-MRVPVSSYSA-N 0 3 218.247 0.804 20 0 BCADHN Cc1c(CN2CC[C@@H](CC(N)=O)C2)cnn1C ZINC000676871019 487938695 /nfs/dbraw/zinc/93/86/95/487938695.db2.gz IWSJSOPTHATWGO-JTQLQIEISA-N 0 3 236.319 0.426 20 0 BCADHN NC(=O)C[C@@H]1CCN(Cc2ccccn2)C1 ZINC000676871323 487938804 /nfs/dbraw/zinc/93/88/04/487938804.db2.gz YKCJASLIVVYJHM-JTQLQIEISA-N 0 3 219.288 0.779 20 0 BCADHN Cc1n[nH]cc1CCCNC(=O)C1(N)CC1 ZINC000083835760 487941308 /nfs/dbraw/zinc/94/13/08/487941308.db2.gz REQNWAQREBDDBO-UHFFFAOYSA-N 0 3 222.292 0.258 20 0 BCADHN CCO[C@@H]1CCCN(C(=O)C2(N)CC2)C1 ZINC000083835574 487941153 /nfs/dbraw/zinc/94/11/53/487941153.db2.gz JZTDKGNXCCXTND-SECBINFHSA-N 0 3 212.293 0.505 20 0 BCADHN CC1(C)CNCCN1C(=O)C[C@@H]1CCCO1 ZINC000083842509 487942616 /nfs/dbraw/zinc/94/26/16/487942616.db2.gz ZWQSCEADGRXBMJ-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN Cc1cc(CN2CC[C@@H](CC(N)=O)C2)on1 ZINC000676898394 487943371 /nfs/dbraw/zinc/94/33/71/487943371.db2.gz NMYRYVTWFWSLDK-VIFPVBQESA-N 0 3 223.276 0.680 20 0 BCADHN CN(C)S(=O)(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000147089446 487947186 /nfs/dbraw/zinc/94/71/86/487947186.db2.gz GCLIIRMETWKLHB-VIFPVBQESA-N 0 3 249.380 0.255 20 0 BCADHN CN(CCNC(=O)Cc1ccc(=O)[nH]c1)C1CC1 ZINC000667158644 487949553 /nfs/dbraw/zinc/94/95/53/487949553.db2.gz DIHPEYJIRSFWHP-UHFFFAOYSA-N 0 3 249.314 0.540 20 0 BCADHN CN(CCNC(=O)CCCF)C1CC1 ZINC000667158981 487951368 /nfs/dbraw/zinc/95/13/68/487951368.db2.gz PJFJTCYRCXLEHK-UHFFFAOYSA-N 0 3 202.273 0.947 20 0 BCADHN CN(C)c1ncc(NC(=O)[C@@H]2CCN(C)C2)cn1 ZINC000676994345 487952242 /nfs/dbraw/zinc/95/22/42/487952242.db2.gz VIDSWTHXYPKPNS-SECBINFHSA-N 0 3 249.318 0.433 20 0 BCADHN CN(C)c1ncc(NC(=O)[C@H]2CCN(C)C2)cn1 ZINC000676994346 487952251 /nfs/dbraw/zinc/95/22/51/487952251.db2.gz VIDSWTHXYPKPNS-VIFPVBQESA-N 0 3 249.318 0.433 20 0 BCADHN CSCCCC(=O)NCCOCCN(C)C ZINC000558348987 322948843 /nfs/dbraw/zinc/94/88/43/322948843.db2.gz DHOWOLCNKYJGMP-UHFFFAOYSA-N 0 3 248.392 0.824 20 0 BCADHN CCC(=O)CCCN1C[C@@H](CO)[C@H](CO)C1 ZINC000528599215 322972223 /nfs/dbraw/zinc/97/22/23/322972223.db2.gz OLWSNLGGCKOPGB-QWRGUYRKSA-N 0 3 229.320 0.278 20 0 BCADHN CCOC(=O)C1(CNC(=O)[C@H](C)N)CCC1 ZINC000564941083 322975913 /nfs/dbraw/zinc/97/59/13/322975913.db2.gz YVLVDWFJAOSCEY-QMMMGPOBSA-N 0 3 228.292 0.183 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@H](O)CC ZINC000560314835 322985349 /nfs/dbraw/zinc/98/53/49/322985349.db2.gz JXZMRMNQZBCFDQ-OPRDCNLKSA-N 0 3 203.282 0.151 20 0 BCADHN CC(=O)C1(C(=O)N(C)CCCN(C)C)CC1 ZINC000560358073 322986265 /nfs/dbraw/zinc/98/62/65/322986265.db2.gz MLIGTWBDHTWITG-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN Cc1cnn(CCN2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000564723900 323008678 /nfs/dbraw/zinc/00/86/78/323008678.db2.gz AQPQAQMJJJMDAC-NSHDSACASA-N 0 3 246.318 0.799 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@@H](O)CC1CCCC1 ZINC000566664300 323009176 /nfs/dbraw/zinc/00/91/76/323009176.db2.gz LCSJIFYYGOUPSX-RWMBFGLXSA-N 0 3 243.347 0.931 20 0 BCADHN CC[C@H]1CCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000131269303 323012747 /nfs/dbraw/zinc/01/27/47/323012747.db2.gz NFFOYTGZUIQMGI-BDAKNGLRSA-N 0 3 233.333 0.678 20 0 BCADHN CN1CCC(NC(=O)[C@@]2(C)CCCO2)CC1 ZINC000151573950 323019221 /nfs/dbraw/zinc/01/92/21/323019221.db2.gz BSGLCVRBHNADLP-GFCCVEGCSA-N 0 3 226.320 0.766 20 0 BCADHN CSC[C@@H](O)CN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000562478321 323021502 /nfs/dbraw/zinc/02/15/02/323021502.db2.gz JCOMDUGMCVTSIT-ZJUUUORDSA-N 0 3 246.376 0.263 20 0 BCADHN CSC[C@@H](O)CN(C)[C@H]1CCC(=O)N(C)C1 ZINC000562478319 323021550 /nfs/dbraw/zinc/02/15/50/323021550.db2.gz JCOMDUGMCVTSIT-UWVGGRQHSA-N 0 3 246.376 0.263 20 0 BCADHN CCCNC(=O)[C@@H](C)N[C@H](C)[C@@H](C)OC ZINC000229375772 323032367 /nfs/dbraw/zinc/03/23/67/323032367.db2.gz LGVSAHINKWALPH-OPRDCNLKSA-N 0 3 216.325 0.914 20 0 BCADHN CN(C)C[C@H]1CCCCN1C(=O)c1nc[nH]n1 ZINC000405104119 323032775 /nfs/dbraw/zinc/03/27/75/323032775.db2.gz FXPBZBBADDFHDB-SECBINFHSA-N 0 3 237.307 0.361 20 0 BCADHN CCOC(=O)CCN1CCNC[C@@H]1C(F)F ZINC000572722037 323036590 /nfs/dbraw/zinc/03/65/90/323036590.db2.gz NTYKGQMUDQQCLP-MRVPVSSYSA-N 0 3 236.262 0.479 20 0 BCADHN C[C@H]1COCCN1C1CCN(CCCO)CC1 ZINC000572971736 323037682 /nfs/dbraw/zinc/03/76/82/323037682.db2.gz IQUCSNUMXYIKGW-LBPRGKRZSA-N 0 3 242.363 0.554 20 0 BCADHN CN1CC=C(CNC(=O)CCC(C)(C)O)CC1 ZINC000569765636 323039955 /nfs/dbraw/zinc/03/99/55/323039955.db2.gz DMJHTYCSRIWYLO-UHFFFAOYSA-N 0 3 240.347 0.916 20 0 BCADHN COCC[C@]1(NCC(=O)N2CCC2)CCOC1 ZINC000569779002 323040348 /nfs/dbraw/zinc/04/03/48/323040348.db2.gz FHGRPUOYTGHKSZ-LBPRGKRZSA-N 0 3 242.319 0.004 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C1(N)CCC1 ZINC000569841186 323042258 /nfs/dbraw/zinc/04/22/58/323042258.db2.gz NXDIKABTEGHIDE-DTWKUNHWSA-N 0 3 241.335 0.287 20 0 BCADHN CSCC[C@H](CO)NC[C@H](O)C(F)(F)F ZINC000569845743 323042405 /nfs/dbraw/zinc/04/24/05/323042405.db2.gz NYBAIWSWPBENRV-RQJHMYQMSA-N 0 3 247.282 0.613 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCOCC1CCC1 ZINC000569927706 323044513 /nfs/dbraw/zinc/04/45/13/323044513.db2.gz HLFBIJBJKKKAHJ-NSHDSACASA-N 0 3 228.336 0.903 20 0 BCADHN C[C@@]1(CNC[C@@H](O)C(F)(F)F)CCC(=O)N1 ZINC000569962415 323045801 /nfs/dbraw/zinc/04/58/01/323045801.db2.gz WMNNKFSGGDZQGH-SVRRBLITSA-N 0 3 240.225 0.168 20 0 BCADHN CC[C@H](NC(=O)[C@@H]1C[C@@H]1N)[C@@H]1CCCO1 ZINC000569983908 323046309 /nfs/dbraw/zinc/04/63/09/323046309.db2.gz HEQYTRVZWPSCFS-KATARQTJSA-N 0 3 212.293 0.407 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000569984088 323046822 /nfs/dbraw/zinc/04/68/22/323046822.db2.gz UKULXOFYMVTWIG-IUCAKERBSA-N 0 3 228.292 0.135 20 0 BCADHN CCC[C@@H](O)CNC[C@@H](C)S(C)(=O)=O ZINC000570044680 323048228 /nfs/dbraw/zinc/04/82/28/323048228.db2.gz VWEPXTPOISLBOB-RKDXNWHRSA-N 0 3 223.338 0.170 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H]1CC[C@@H](C)O1 ZINC000570042624 323048277 /nfs/dbraw/zinc/04/82/77/323048277.db2.gz KHBNNLSUJLJRRA-LMLFDSFASA-N 0 3 215.293 0.557 20 0 BCADHN COC[C@H](C)CN(C)[C@@H]1CCN(C)C1=O ZINC000570205047 323052858 /nfs/dbraw/zinc/05/28/58/323052858.db2.gz XANQUPWNUXNNTO-NXEZZACHSA-N 0 3 214.309 0.431 20 0 BCADHN CN[C@@H](C)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000570225317 323053661 /nfs/dbraw/zinc/05/36/61/323053661.db2.gz NLYXDFJJUHJRFW-WDEREUQCSA-N 0 3 227.352 0.393 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@H](N)C2CCC2)no1 ZINC000570278309 323054877 /nfs/dbraw/zinc/05/48/77/323054877.db2.gz YBLCVGSFMXFOFF-SNVBAGLBSA-N 0 3 238.291 0.464 20 0 BCADHN COCC1(CCNC(=O)NCCN(C)C)CC1 ZINC000570392960 323058241 /nfs/dbraw/zinc/05/82/41/323058241.db2.gz KXJPLGSTKXQQQE-UHFFFAOYSA-N 0 3 243.351 0.664 20 0 BCADHN CNC(=O)CCCN(C)C(=O)CN(C)C(C)C ZINC000154983194 323059599 /nfs/dbraw/zinc/05/95/99/323059599.db2.gz FPXWGJYMJBBAAE-UHFFFAOYSA-N 0 3 243.351 0.311 20 0 BCADHN C[C@@H](CNC[C@@H]1CCCC[C@H]1O)S(C)(=O)=O ZINC000570451958 323060090 /nfs/dbraw/zinc/06/00/90/323060090.db2.gz ZGAIGWJYOFFKLJ-GARJFASQSA-N 0 3 249.376 0.560 20 0 BCADHN Cc1nc2ccc(NC(=O)C3(N)CCC3)cn2n1 ZINC000570513151 323061929 /nfs/dbraw/zinc/06/19/29/323061929.db2.gz CMGYHOWQMCBNSR-UHFFFAOYSA-N 0 3 245.286 0.858 20 0 BCADHN CN(CCC1(O)CCC1)[C@H]1CCC(=O)N(C)C1 ZINC000570525453 323062045 /nfs/dbraw/zinc/06/20/45/323062045.db2.gz MSDXGPIUEZOAKX-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H](CNCCN(C)C1CC1)S(C)(=O)=O ZINC000570564316 323063127 /nfs/dbraw/zinc/06/31/27/323063127.db2.gz MAGAGLWOFLSNQV-VIFPVBQESA-N 0 3 234.365 0.103 20 0 BCADHN COC(=O)[C@](C)(NC(=O)CNC1CC1)C1CC1 ZINC000570624764 323065105 /nfs/dbraw/zinc/06/51/05/323065105.db2.gz BVVWAYCFJWIVIR-GFCCVEGCSA-N 0 3 240.303 0.196 20 0 BCADHN CO[C@@H]1COC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC000570684538 323067059 /nfs/dbraw/zinc/06/70/59/323067059.db2.gz FVOCAGLZSMRWKZ-GMTAPVOTSA-N 0 3 244.335 0.103 20 0 BCADHN CC(C)NC(=O)CN1CCCC[C@@H]1C1(O)CC1 ZINC000570779007 323070075 /nfs/dbraw/zinc/07/00/75/323070075.db2.gz JLXQVYKVHRFPEA-LLVKDONJSA-N 0 3 240.347 0.890 20 0 BCADHN Cc1cc(C(=O)NC(C)(C)CN(C)C)ncn1 ZINC000570797074 323070593 /nfs/dbraw/zinc/07/05/93/323070593.db2.gz XTKMURGWJRUKDR-UHFFFAOYSA-N 0 3 236.319 0.855 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCOCC2CC2)C1 ZINC000570813003 323071274 /nfs/dbraw/zinc/07/12/74/323071274.db2.gz GDURAHGLKQANKV-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN CCOC[C@H]1CCCN(C(=O)[C@H](C)NC)C1 ZINC000570815670 323071462 /nfs/dbraw/zinc/07/14/62/323071462.db2.gz CXBHMRLEMCADDG-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CO[C@@H](CN(C)[C@@H]1CCC(=O)N(C)C1)C1CC1 ZINC000570823213 323071538 /nfs/dbraw/zinc/07/15/38/323071538.db2.gz ITJZZONIJDTPEV-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN OCc1ccnc(N2CC[C@H](N3CCCC3)C2)n1 ZINC000570896191 323073649 /nfs/dbraw/zinc/07/36/49/323073649.db2.gz ZLCNLZLUNOFBMQ-LBPRGKRZSA-N 0 3 248.330 0.643 20 0 BCADHN C[C@@H](O)C1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000539811988 323075624 /nfs/dbraw/zinc/07/56/24/323075624.db2.gz SDBGZVPDGAFNFI-ZYHUDNBSSA-N 0 3 240.347 0.700 20 0 BCADHN CN1C[C@H](NC[C@H](O)Cc2ccccc2)CC1=O ZINC000562987449 323078209 /nfs/dbraw/zinc/07/82/09/323078209.db2.gz PPFIJPZZRZQENE-CHWSQXEVSA-N 0 3 248.326 0.410 20 0 BCADHN COC[C@@H](C)OC[C@H](O)CN[C@H]1CCC[C@H]1F ZINC000562998845 323078920 /nfs/dbraw/zinc/07/89/20/323078920.db2.gz RNSHKTIAEUKFIN-KKOKHZNYSA-N 0 3 249.326 0.879 20 0 BCADHN C[C@@H](O)CCNCc1cnc(N(C)C)nc1 ZINC000309906064 323082801 /nfs/dbraw/zinc/08/28/01/323082801.db2.gz KGLOOANDGNTBPG-SECBINFHSA-N 0 3 224.308 0.403 20 0 BCADHN CCOCC(=O)N(CCN(C)C)C(C)C ZINC000151987432 323083146 /nfs/dbraw/zinc/08/31/46/323083146.db2.gz IVBKHEWOTXCXQC-UHFFFAOYSA-N 0 3 216.325 0.822 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)/C=C/c2ncc[nH]2)C1 ZINC000493193523 323085569 /nfs/dbraw/zinc/08/55/69/323085569.db2.gz SQRHAUSEKCEHEI-HMDXOVGESA-N 0 3 234.303 0.585 20 0 BCADHN CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531282161 323086921 /nfs/dbraw/zinc/08/69/21/323086921.db2.gz VWHIMPBVHVTYIK-CYBMUJFWSA-N 0 3 234.299 0.369 20 0 BCADHN Cc1ncccc1CN[C@@]1(CO)CCOC1 ZINC000184191726 323087675 /nfs/dbraw/zinc/08/76/75/323087675.db2.gz VXTFOROYBOTYLF-GFCCVEGCSA-N 0 3 222.288 0.631 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)Cn1ccnc1 ZINC000040487177 323089958 /nfs/dbraw/zinc/08/99/58/323089958.db2.gz XQEVGOFTPCKMSZ-MXWKQRLJSA-N 0 3 238.335 0.761 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CCCOC1 ZINC000040490701 323089983 /nfs/dbraw/zinc/08/99/83/323089983.db2.gz YVBVICHWVIYMEA-MXWKQRLJSA-N 0 3 228.336 0.903 20 0 BCADHN CC(C)[C@H]1CN(C[C@@H]2CNC(=O)O2)CCN1C ZINC000495714592 323091055 /nfs/dbraw/zinc/09/10/55/323091055.db2.gz CCVKQTHYHSWWHC-WDEREUQCSA-N 0 3 241.335 0.367 20 0 BCADHN CC[C@@H](NC[C@H](O)COC)[C@H](O)C(F)(F)F ZINC000563137600 323094773 /nfs/dbraw/zinc/09/47/73/323094773.db2.gz HRUFDSPMZQWDEL-RNJXMRFFSA-N 0 3 245.241 0.285 20 0 BCADHN C[C@H](O)[C@H](C)N[C@H](CO)CC(F)(F)F ZINC000563138864 323095033 /nfs/dbraw/zinc/09/50/33/323095033.db2.gz VUPXXJDKKSXRRH-ACZMJKKPSA-N 0 3 215.215 0.659 20 0 BCADHN CC[C@H](O)CNCc1ccc(OCCO)cc1 ZINC000563143408 323095177 /nfs/dbraw/zinc/09/51/77/323095177.db2.gz RJYFSGYAJUAFSA-LBPRGKRZSA-N 0 3 239.315 0.918 20 0 BCADHN CNCC(=O)N(C)[C@@H](CC(N)=O)c1ccccc1 ZINC000563160407 323097461 /nfs/dbraw/zinc/09/74/61/323097461.db2.gz ORDWUOXLDKROML-NSHDSACASA-N 0 3 249.314 0.281 20 0 BCADHN CN(C)CC(C)(C)NC(=O)[C@@H]1CCC(=O)C1 ZINC000563191906 323100905 /nfs/dbraw/zinc/10/09/05/323100905.db2.gz BMQISRTVHALDOL-SECBINFHSA-N 0 3 226.320 0.812 20 0 BCADHN C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccncc1[O-] ZINC000570959346 323101575 /nfs/dbraw/zinc/10/15/75/323101575.db2.gz CFLJEFLCJNUDTO-NKWVEPMBSA-N 0 3 209.249 0.131 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ccccc1NC(C)=O ZINC000570959964 323101596 /nfs/dbraw/zinc/10/15/96/323101596.db2.gz JAHKLAUXAYJFIW-LLVKDONJSA-N 0 3 249.314 0.999 20 0 BCADHN Cc1cnccc1CCN(C)[C@@H]1COC[C@H]1O ZINC000570958991 323101636 /nfs/dbraw/zinc/10/16/36/323101636.db2.gz UJMUIFKSTLMPMU-CHWSQXEVSA-N 0 3 236.315 0.624 20 0 BCADHN C[C@H](O)CNC[C@@H](c1ccco1)N(C)C ZINC000563343224 323119338 /nfs/dbraw/zinc/11/93/38/323119338.db2.gz IBFBOIGMWKLRHP-UWVGGRQHSA-N 0 3 212.293 0.853 20 0 BCADHN CN1CC[C@@H](NC[C@@H](O)CC(F)(F)F)C1=O ZINC000307939952 323119957 /nfs/dbraw/zinc/11/99/57/323119957.db2.gz BIQFOGQLZDPQMV-NKWVEPMBSA-N 0 3 240.225 0.120 20 0 BCADHN CN[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000563349920 323120169 /nfs/dbraw/zinc/12/01/69/323120169.db2.gz UPSSYVYPDXRDJK-SECBINFHSA-N 0 3 222.219 0.677 20 0 BCADHN Cc1noc([C@@H](C)N(C)C(=O)[C@@H](N)C(C)C)n1 ZINC000563428498 323125085 /nfs/dbraw/zinc/12/50/85/323125085.db2.gz XIDUZUMAKXTIPG-APPZFPTMSA-N 0 3 240.307 0.881 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000083886253 487957243 /nfs/dbraw/zinc/95/72/43/487957243.db2.gz OZRNQQWEUDBWQK-SSDOTTSWSA-N 0 3 233.271 0.258 20 0 BCADHN CN(CC1CCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000563610092 323131459 /nfs/dbraw/zinc/13/14/59/323131459.db2.gz ZXLHDNKXCUYGCN-NSHDSACASA-N 0 3 241.335 0.416 20 0 BCADHN CC(C)N1CC[C@H](N(C)C[C@H]2CCOC2)C1=O ZINC000247214185 323132408 /nfs/dbraw/zinc/13/24/08/323132408.db2.gz YAUUBRGKZMRKPT-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN C[S@](=O)C1(CNCC2(F)CC2)CC1 ZINC000308186457 323133558 /nfs/dbraw/zinc/13/35/58/323133558.db2.gz JOIMUAZLVJJQAJ-ZDUSSCGKSA-N 0 3 205.298 0.989 20 0 BCADHN C[C@H](O)CN1CCN(CCCF)[C@H](C)C1 ZINC000248644356 323136119 /nfs/dbraw/zinc/13/61/19/323136119.db2.gz FGENRFCXKWLZHA-MNOVXSKESA-N 0 3 218.316 0.733 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCCC(=O)OC ZINC000571146581 323136484 /nfs/dbraw/zinc/13/64/84/323136484.db2.gz JJFFDMUYDYQFHY-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCOC(C)(C)C ZINC000571281661 323139978 /nfs/dbraw/zinc/13/99/78/323139978.db2.gz MSDWVIGTOBAUEW-NXEZZACHSA-N 0 3 217.309 0.805 20 0 BCADHN CSC[C@H](O)CN[C@@H]1CC(=O)N(C(C)C)C1 ZINC000571315685 323141238 /nfs/dbraw/zinc/14/12/38/323141238.db2.gz LYIRBXYIWGWOIN-NXEZZACHSA-N 0 3 246.376 0.309 20 0 BCADHN C[C@H](O)C[C@H](C)CNC[C@H](C)S(C)(=O)=O ZINC000571446308 323144855 /nfs/dbraw/zinc/14/48/55/323144855.db2.gz QSHBYEKBGKZVRQ-GUBZILKMSA-N 0 3 237.365 0.416 20 0 BCADHN NCC(F)(F)Cc1nc(C2(N)CCCC2)no1 ZINC000571449544 323145117 /nfs/dbraw/zinc/14/51/17/323145117.db2.gz HUHAYGROFVAPLF-UHFFFAOYSA-N 0 3 246.261 0.934 20 0 BCADHN CC[C@@](C)(CO)C(=O)NCCN(C)C1CC1 ZINC000571534897 323147222 /nfs/dbraw/zinc/14/72/22/323147222.db2.gz IGIAVMYHQYYPNO-LBPRGKRZSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](N)C(=O)NCCNc1ccccn1 ZINC000571556846 323147962 /nfs/dbraw/zinc/14/79/62/323147962.db2.gz YDRBCMGZIXMDLB-VIFPVBQESA-N 0 3 222.292 0.347 20 0 BCADHN CN(C)c1ccncc1C(=O)N1CCNCC1 ZINC000571562305 323148042 /nfs/dbraw/zinc/14/80/42/323148042.db2.gz CDLKESNUIHEPMD-UHFFFAOYSA-N 0 3 234.303 0.193 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccc2cnn(C)c2c1 ZINC000571610703 323149209 /nfs/dbraw/zinc/14/92/09/323149209.db2.gz ANZIPXMBEBSVAM-VIFPVBQESA-N 0 3 246.314 0.927 20 0 BCADHN CSC[C@H](CCO)NC[C@H](O)C(F)(F)F ZINC000571643023 323150658 /nfs/dbraw/zinc/15/06/58/323150658.db2.gz XNSLEZIVDJNVFJ-BQBZGAKWSA-N 0 3 247.282 0.613 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000661710589 487957559 /nfs/dbraw/zinc/95/75/59/487957559.db2.gz ZIRWRAWLGUJGSA-KKZNHRDASA-N 0 3 212.293 0.219 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CC[C@@H](CCCO)C1 ZINC000452132670 323151491 /nfs/dbraw/zinc/15/14/91/323151491.db2.gz QUGBUBRHJUUYDK-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CN1CCC[C@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC000049096283 323157526 /nfs/dbraw/zinc/15/75/26/323157526.db2.gz ZRRHGBNXCRMKKZ-JTQLQIEISA-N 0 3 235.287 0.199 20 0 BCADHN CC[C@H](C(=O)NCCN1CC[C@H](C)C1)N(C)C ZINC000531959095 323157898 /nfs/dbraw/zinc/15/78/98/323157898.db2.gz OWWZPLGVRJUMPL-NWDGAFQWSA-N 0 3 241.379 0.785 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CCC(CCO)CC1 ZINC000534705240 323160177 /nfs/dbraw/zinc/16/01/77/323160177.db2.gz LZVGDBMLBNTEAY-LBPRGKRZSA-N 0 3 240.347 0.702 20 0 BCADHN OCC1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000304399650 323164505 /nfs/dbraw/zinc/16/45/05/323164505.db2.gz WFGXHPMJESLHNF-ZDUSSCGKSA-N 0 3 243.347 0.886 20 0 BCADHN C[C@H](O)[C@@H]1CCCN(CC(=O)N(C)C)C1 ZINC000305198364 323168091 /nfs/dbraw/zinc/16/80/91/323168091.db2.gz UVELSNJVOQFSLL-VHSXEESVSA-N 0 3 214.309 0.167 20 0 BCADHN CCN(C)CCNC(=O)/C=C/c1ccnn1C ZINC000112925653 323172929 /nfs/dbraw/zinc/17/29/29/323172929.db2.gz XAGQVTHWMYFDHV-AATRIKPKSA-N 0 3 236.319 0.501 20 0 BCADHN CCN(C)CCNC(=O)Cc1cc(C)no1 ZINC000563717620 323175485 /nfs/dbraw/zinc/17/54/85/323175485.db2.gz VSPGXGFCQXJBOP-UHFFFAOYSA-N 0 3 225.292 0.593 20 0 BCADHN Cn1cccc1CNCCN1CCCC1=O ZINC000405333142 323178385 /nfs/dbraw/zinc/17/83/85/323178385.db2.gz FCNFMIHTHAPPPY-UHFFFAOYSA-N 0 3 221.304 0.737 20 0 BCADHN C[C@H](CNC(=O)C1(N)CCC1)Cn1ccnc1 ZINC000563813755 323178775 /nfs/dbraw/zinc/17/87/75/323178775.db2.gz OUKIPOZIZHYAAN-SNVBAGLBSA-N 0 3 236.319 0.517 20 0 BCADHN NC(=O)C1(NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000563813427 323178785 /nfs/dbraw/zinc/17/87/85/323178785.db2.gz BNSOYNQRKVZLOX-IUCAKERBSA-N 0 3 212.293 0.145 20 0 BCADHN CSC[C@H](CCO)NCc1cnc(C)n1C ZINC000563820748 323179229 /nfs/dbraw/zinc/17/92/29/323179229.db2.gz ALNXCZYUYPRLEB-JTQLQIEISA-N 0 3 243.376 0.932 20 0 BCADHN COC(=O)CCCN1C[C@H](O)CC[C@H]1C ZINC000399310274 323203335 /nfs/dbraw/zinc/20/33/35/323203335.db2.gz QUQUESOFSIXOPB-NXEZZACHSA-N 0 3 215.293 0.785 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1Cc1cnn(C)c1 ZINC000399327687 323203894 /nfs/dbraw/zinc/20/38/94/323203894.db2.gz MPMDVBAILBFWDD-KOLCDFICSA-N 0 3 209.293 0.765 20 0 BCADHN CC[C@@H](COC)N[C@H](C)C(=O)N(C)C ZINC000070623881 323205127 /nfs/dbraw/zinc/20/51/27/323205127.db2.gz KZPBWPIABMQESR-BDAKNGLRSA-N 0 3 202.298 0.478 20 0 BCADHN Cc1ccc(O)c(CNC[C@H]2COCCN2)n1 ZINC000530182703 323205718 /nfs/dbraw/zinc/20/57/18/323205718.db2.gz XYONXDMLBNELPD-JTQLQIEISA-N 0 3 237.303 0.174 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1)c1cnccc1N ZINC000530226284 323219360 /nfs/dbraw/zinc/21/93/60/323219360.db2.gz QXPXYBYAGDNMSH-VHSXEESVSA-N 0 3 236.319 0.133 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1)c1cnccc1N ZINC000530226287 323219591 /nfs/dbraw/zinc/21/95/91/323219591.db2.gz QXPXYBYAGDNMSH-ZJUUUORDSA-N 0 3 236.319 0.133 20 0 BCADHN CC[C@H]1[C@H](CO)CCN1CC(=O)N1CCCC1 ZINC000395226915 323222180 /nfs/dbraw/zinc/22/21/80/323222180.db2.gz UPHGAIUXJXGTAV-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN CN(C(=O)c1c[nH]cn1)[C@@H]1CCN(C2CC2)C1 ZINC000532403678 323261888 /nfs/dbraw/zinc/26/18/88/323261888.db2.gz AXNGAEAEFOMJOM-SNVBAGLBSA-N 0 3 234.303 0.718 20 0 BCADHN CN(C(=O)c1cnc[nH]1)[C@@H]1CCN(C2CC2)C1 ZINC000532403678 323261893 /nfs/dbraw/zinc/26/18/93/323261893.db2.gz AXNGAEAEFOMJOM-SNVBAGLBSA-N 0 3 234.303 0.718 20 0 BCADHN C[C@H](O)CN[C@H]1c2ccccc2C[C@H]1O ZINC000104338680 323268459 /nfs/dbraw/zinc/26/84/59/323268459.db2.gz MDJPOHDQJZNIOZ-AXTRIDKLSA-N 0 3 207.273 0.615 20 0 BCADHN CC[C@@H](C)C(=O)N(CCN(C)C)CCN(C)C ZINC000104533130 323275912 /nfs/dbraw/zinc/27/59/12/323275912.db2.gz IVABTLGVBZTLET-GFCCVEGCSA-N 0 3 243.395 0.984 20 0 BCADHN COC[C@@H]1CCCCN1C[C@@](C)(O)C(=O)OC ZINC000395992015 323281336 /nfs/dbraw/zinc/28/13/36/323281336.db2.gz CVQSVDIWHFTLIJ-CMPLNLGQSA-N 0 3 245.319 0.411 20 0 BCADHN COC(C)(C)CN(C)CCn1cncn1 ZINC000532640767 323286006 /nfs/dbraw/zinc/28/60/06/323286006.db2.gz QJADPUGHHRYDQF-UHFFFAOYSA-N 0 3 212.297 0.635 20 0 BCADHN Cc1nccn1CCNC(=O)CNC1CC1 ZINC000309193655 323326895 /nfs/dbraw/zinc/32/68/95/323326895.db2.gz JKGWHVOUUUWCBL-UHFFFAOYSA-N 0 3 222.292 0.060 20 0 BCADHN CNC(=O)CCCNCc1ccc(CO)o1 ZINC000309495448 323417692 /nfs/dbraw/zinc/41/76/92/323417692.db2.gz YGSIFSPKRRDHJC-UHFFFAOYSA-N 0 3 226.276 0.388 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@@H](N)CCSC ZINC000041679439 487958826 /nfs/dbraw/zinc/95/88/26/487958826.db2.gz CTNJFBAPGOVWHC-IUCAKERBSA-N 0 3 234.365 0.466 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@H]1CCCCN1 ZINC000041679357 487958876 /nfs/dbraw/zinc/95/88/76/487958876.db2.gz XPLPBUZKTJEGME-VHSXEESVSA-N 0 3 214.309 0.527 20 0 BCADHN CCN(C(=O)[C@@H](N)C(C)C)c1cnn(C)c1 ZINC000655521527 487958355 /nfs/dbraw/zinc/95/83/55/487958355.db2.gz GDOPTKQCDVMYPL-JTQLQIEISA-N 0 3 224.308 0.756 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@@H](N)CC(C)C ZINC000041679451 487959010 /nfs/dbraw/zinc/95/90/10/487959010.db2.gz WSFXMRMCZOPTMC-UWVGGRQHSA-N 0 3 216.325 0.759 20 0 BCADHN COC[C@H](C)CNC(=O)CNC(C)C ZINC000041679471 487959280 /nfs/dbraw/zinc/95/92/80/487959280.db2.gz CCWRGQHUIKYYDB-SECBINFHSA-N 0 3 202.298 0.383 20 0 BCADHN Cc1cccc2nc(CCNC(=O)[C@@H](C)N)cn21 ZINC000083887941 487959054 /nfs/dbraw/zinc/95/90/54/487959054.db2.gz SPZGDWVLIYNJHE-SNVBAGLBSA-N 0 3 246.314 0.649 20 0 BCADHN Cc1nc(C(=O)N(C)CCN(C)C)co1 ZINC000669954087 487960002 /nfs/dbraw/zinc/96/00/02/487960002.db2.gz URDGBGJAZUNMGW-UHFFFAOYSA-N 0 3 211.265 0.617 20 0 BCADHN Cc1noc(C)c1CNC[C@H](O)[C@@H]1CCCO1 ZINC000527759182 323681215 /nfs/dbraw/zinc/68/12/15/323681215.db2.gz NSLBHHLZSLNQDW-RYUDHWBXSA-N 0 3 240.303 0.921 20 0 BCADHN Cn1cc(CNCC23CC(C2)CO3)cn1 ZINC000527787277 323693942 /nfs/dbraw/zinc/69/39/42/323693942.db2.gz HMTYRCQJZIAEBI-UHFFFAOYSA-N 0 3 207.277 0.689 20 0 BCADHN CN(C(=O)COCC1CC1)C1CCN(C)CC1 ZINC000058503515 323987255 /nfs/dbraw/zinc/98/72/55/323987255.db2.gz NBGCQXKUXYZKCK-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN COCCN(C)CCNC(=O)N1CCCC1 ZINC000122131768 324030284 /nfs/dbraw/zinc/03/02/84/324030284.db2.gz ZDSLTMLBFWGXPN-UHFFFAOYSA-N 0 3 229.324 0.370 20 0 BCADHN Cc1ccc(C(=O)NCCOCCN(C)C)o1 ZINC000537545711 324078167 /nfs/dbraw/zinc/07/81/67/324078167.db2.gz FAGOZHCPWBYFAF-UHFFFAOYSA-N 0 3 240.303 0.896 20 0 BCADHN CSC[C@@H](C)C(=O)NCCOCCN(C)C ZINC000537545430 324078208 /nfs/dbraw/zinc/07/82/08/324078208.db2.gz SAYJOMZROQVUTG-SNVBAGLBSA-N 0 3 248.392 0.680 20 0 BCADHN COC[C@@H](O)CN1C[C@H](C)N(C)C[C@@H]1C ZINC000537565014 324081211 /nfs/dbraw/zinc/08/12/11/324081211.db2.gz SACBOPQXJVMUDE-DCAQKATOSA-N 0 3 216.325 0.018 20 0 BCADHN CCc1nn(C)c(CC)c1CNC(=O)CN ZINC000520815533 324110894 /nfs/dbraw/zinc/11/08/94/324110894.db2.gz OQFMOEQYPKTSKX-UHFFFAOYSA-N 0 3 224.308 0.120 20 0 BCADHN Cc1ncc(CN[C@@H](C)C[C@@H](C)O)n1C ZINC000516194387 324116829 /nfs/dbraw/zinc/11/68/29/324116829.db2.gz GBYMJOXCZVBUMW-DTWKUNHWSA-N 0 3 211.309 0.978 20 0 BCADHN CCN(CC(=O)NC[C@@H]1CCCN1C)C1CC1 ZINC000152560284 324186166 /nfs/dbraw/zinc/18/61/66/324186166.db2.gz RISHUZJAIBXBPG-LBPRGKRZSA-N 0 3 239.363 0.681 20 0 BCADHN COC[C@@H](C)NC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000229221377 324204256 /nfs/dbraw/zinc/20/42/56/324204256.db2.gz IKZLJUXMXZTUAV-AEJSXWLSSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@@H](NC(=O)c1cccnn1)C1=CCN(C)CC1 ZINC000528997208 324229642 /nfs/dbraw/zinc/22/96/42/324229642.db2.gz WXFRAOFJECKGKO-SNVBAGLBSA-N 0 3 246.314 0.857 20 0 BCADHN Cc1cocc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000529035516 324236614 /nfs/dbraw/zinc/23/66/14/324236614.db2.gz JMKRUVBAMHXTEC-GFCCVEGCSA-N 0 3 238.287 0.384 20 0 BCADHN C[C@@H]1[C@H](C(=O)N[C@@H](CO)CN(C)C)[C@H]1C1CC1 ZINC000529387995 324285351 /nfs/dbraw/zinc/28/53/51/324285351.db2.gz NLEAFKFAMXPLMJ-GMNPVEAJSA-N 0 3 240.347 0.317 20 0 BCADHN CN1CC[C@@]2(CCN(C(=O)c3cccnn3)C2)C1 ZINC000529419593 324291606 /nfs/dbraw/zinc/29/16/06/324291606.db2.gz QEWVIFITNNPWBS-CYBMUJFWSA-N 0 3 246.314 0.644 20 0 BCADHN CCc1nc(CNC(=O)Cn2cncc2C)n[nH]1 ZINC000529431529 324295927 /nfs/dbraw/zinc/29/59/27/324295927.db2.gz DXOVFTRBVYAYTC-UHFFFAOYSA-N 0 3 248.290 0.188 20 0 BCADHN CCN1CC[C@H](NC(=O)c2cccnn2)C1 ZINC000529491294 324313848 /nfs/dbraw/zinc/31/38/48/324313848.db2.gz HAWRINXUDUQWHP-VIFPVBQESA-N 0 3 220.276 0.301 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2cccnn2)C1 ZINC000529491293 324314138 /nfs/dbraw/zinc/31/41/38/324314138.db2.gz HAWRINXUDUQWHP-SECBINFHSA-N 0 3 220.276 0.301 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)c3cccnn3)[C@@H]2C1 ZINC000529505162 324317016 /nfs/dbraw/zinc/31/70/16/324317016.db2.gz MASLYPAVODUNDP-CMPLNLGQSA-N 0 3 246.314 0.643 20 0 BCADHN c1c(CNCC23CC(C2)CO3)nc2ncccn12 ZINC000529662519 324372183 /nfs/dbraw/zinc/37/21/83/324372183.db2.gz MAHZLSWUDBJXIX-UHFFFAOYSA-N 0 3 244.298 0.998 20 0 BCADHN CCCN[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC ZINC000059522103 487963527 /nfs/dbraw/zinc/96/35/27/487963527.db2.gz DRLICHGIRIKAFS-IUCAKERBSA-N 0 3 229.324 0.015 20 0 BCADHN CCCN[C@H](C)C(=O)N[C@@H](C)C(=O)NCC ZINC000059522104 487963867 /nfs/dbraw/zinc/96/38/67/487963867.db2.gz DRLICHGIRIKAFS-BDAKNGLRSA-N 0 3 229.324 0.015 20 0 BCADHN Cc1ncccc1CNC[C@@H](O)Cn1cccn1 ZINC000530242885 324553397 /nfs/dbraw/zinc/55/33/97/324553397.db2.gz PUXZLWBLIVIHPQ-CYBMUJFWSA-N 0 3 246.314 0.737 20 0 BCADHN Cc1cnccc1CNC[C@H]1COCCN1 ZINC000530247140 324557770 /nfs/dbraw/zinc/55/77/70/324557770.db2.gz PSGUQPFANPGAHZ-LBPRGKRZSA-N 0 3 221.304 0.468 20 0 BCADHN CN1CCC[C@H](NC(=O)[C@H]2CCCCN2)C1 ZINC000158530323 487963816 /nfs/dbraw/zinc/96/38/16/487963816.db2.gz KGCRAVLVHMHPOU-WDEREUQCSA-N 0 3 225.336 0.339 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000083913170 487964667 /nfs/dbraw/zinc/96/46/67/487964667.db2.gz ITROZDHXSNVQKV-SNVBAGLBSA-N 0 3 248.330 0.514 20 0 BCADHN C[C@@H](N)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000083911813 487964695 /nfs/dbraw/zinc/96/46/95/487964695.db2.gz KJENHVBFQLJUTB-SNVBAGLBSA-N 0 3 247.298 0.209 20 0 BCADHN COC1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000538703535 324726946 /nfs/dbraw/zinc/72/69/46/324726946.db2.gz FSTOCFZFKGVSKL-LLVKDONJSA-N 0 3 226.320 0.718 20 0 BCADHN CC(C)(N)C(=O)Nc1cccc2c1NC(=O)CO2 ZINC000083912553 487964868 /nfs/dbraw/zinc/96/48/68/487964868.db2.gz MWUXQRLDOZQVKZ-UHFFFAOYSA-N 0 3 249.270 0.693 20 0 BCADHN C[C@@H](NC[C@H](O)CN(C)C)c1cscn1 ZINC000127846999 324791631 /nfs/dbraw/zinc/79/16/31/324791631.db2.gz AMQIXCKKGRCBSQ-BDAKNGLRSA-N 0 3 229.349 0.716 20 0 BCADHN CCN(CC)CC(=O)NCc1cccc(=O)[nH]1 ZINC000539698906 324853607 /nfs/dbraw/zinc/85/36/07/324853607.db2.gz XYMBIUANQLTLKM-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN Cn1cc(CCCN2CC[C@@]3(O)C[C@H]3C2)cn1 ZINC000661715056 487966129 /nfs/dbraw/zinc/96/61/29/487966129.db2.gz CJOUYQFLQMAVPM-QWHCGFSZSA-N 0 3 235.331 0.809 20 0 BCADHN CN(C)CCOCCNC(=O)c1ccncc1 ZINC000540845784 324921885 /nfs/dbraw/zinc/92/18/85/324921885.db2.gz KYNILDXECPONPN-UHFFFAOYSA-N 0 3 237.303 0.390 20 0 BCADHN CC(C)CC(=O)NCCOCCN(C)C ZINC000540847835 324922361 /nfs/dbraw/zinc/92/23/61/324922361.db2.gz IRKQALJCKYQTMW-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN Cc1ccoc1C(=O)NCCOCCN(C)C ZINC000540848010 324922515 /nfs/dbraw/zinc/92/25/15/324922515.db2.gz QIFYTDYRIQKGQJ-UHFFFAOYSA-N 0 3 240.303 0.896 20 0 BCADHN OCC(CO)NCc1ccc2cc[nH]c2c1 ZINC000229657621 324971605 /nfs/dbraw/zinc/97/16/05/324971605.db2.gz KVJHLPTVAJBTKQ-UHFFFAOYSA-N 0 3 220.272 0.611 20 0 BCADHN C[C@H]1CSCCN1C(=O)CNC1CC1 ZINC000069761753 324973386 /nfs/dbraw/zinc/97/33/86/324973386.db2.gz FWIBRCHMLPLQIF-QMMMGPOBSA-N 0 3 214.334 0.702 20 0 BCADHN O[C@@H]1CCN(CCOC[C@H]2CCCO2)C1 ZINC000542195385 325014372 /nfs/dbraw/zinc/01/43/72/325014372.db2.gz RVLWXVQCEWAASW-GHMZBOCLSA-N 0 3 215.293 0.249 20 0 BCADHN CCN(C)C(=O)CCN(C)[C@@H]1CCOC1 ZINC000130375312 325046373 /nfs/dbraw/zinc/04/63/73/325046373.db2.gz NHEIZNIBYHWDCR-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)NC1(C2CC2)CC1 ZINC000542524471 325033467 /nfs/dbraw/zinc/03/34/67/325033467.db2.gz 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CC[C@H]1CCN(CC(=O)NCC(=O)OC)C1 ZINC000131580924 325167063 /nfs/dbraw/zinc/16/70/63/325167063.db2.gz CJCHJSJOGPLQJY-VIFPVBQESA-N 0 3 228.292 0.008 20 0 BCADHN CCN(C)S(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000072710079 325168430 /nfs/dbraw/zinc/16/84/30/325168430.db2.gz GIXKNDQZSVKQOG-JTQLQIEISA-N 0 3 249.380 0.209 20 0 BCADHN CCN(CC)CC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000073988519 325221865 /nfs/dbraw/zinc/22/18/65/325221865.db2.gz KSKGLUQHYORWCG-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN Cn1cncc1CN1CCC[C@@]1(C)CO ZINC000546103825 325265761 /nfs/dbraw/zinc/26/57/61/325265761.db2.gz DDSISHLEADQWJO-NSHDSACASA-N 0 3 209.293 0.767 20 0 BCADHN COC[C@@H](C)N1CCN([C@H](C)COC)CC1 ZINC000075595223 325301894 /nfs/dbraw/zinc/30/18/94/325301894.db2.gz MIZIAFVVSAGRFF-VXGBXAGGSA-N 0 3 230.352 0.674 20 0 BCADHN COC(=O)C[C@@H](C)C(=O)NC[C@H]1CCCN1C ZINC000133332276 325287327 /nfs/dbraw/zinc/28/73/27/325287327.db2.gz PHCWEDPQXWZZQM-NXEZZACHSA-N 0 3 242.319 0.396 20 0 BCADHN CCO[C@H](CC)C(=O)NCCN(CC)CCO 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/nfs/dbraw/zinc/34/70/16/325347016.db2.gz KGJUIZPBIYNQFY-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN CCc1nncn1CCN[C@@H](C)c1cnn(C)c1 ZINC000547385285 325349849 /nfs/dbraw/zinc/34/98/49/325349849.db2.gz ALEXUCGQOUZYLW-JTQLQIEISA-N 0 3 248.334 0.925 20 0 BCADHN Cc1nc(C)c(C(=O)NC[C@H]2CNCCO2)o1 ZINC000134258556 325350582 /nfs/dbraw/zinc/35/05/82/325350582.db2.gz VLHYEHCERBGQAX-SECBINFHSA-N 0 3 239.275 0.010 20 0 BCADHN CCN(C)CCNC(=O)c1cc(C)ncn1 ZINC000134643063 325369602 /nfs/dbraw/zinc/36/96/02/325369602.db2.gz GBZULBZQPLJEGU-UHFFFAOYSA-N 0 3 222.292 0.467 20 0 BCADHN Cn1nncc1CNCC[C@H]1CCCCO1 ZINC000134670461 325370998 /nfs/dbraw/zinc/37/09/98/325370998.db2.gz LWPJEHHEWLRIQF-LLVKDONJSA-N 0 3 224.308 0.864 20 0 BCADHN CCN(C)CCNC(=O)C(C)(C)CO ZINC000547552339 325371985 /nfs/dbraw/zinc/37/19/85/325371985.db2.gz HIEWHUFDTGGBFI-UHFFFAOYSA-N 0 3 202.298 0.073 20 0 BCADHN C[C@H](CNC(=O)c1ccncn1)N1CCCC1 ZINC000547665037 325381754 /nfs/dbraw/zinc/38/17/54/325381754.db2.gz 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/nfs/dbraw/zinc/29/45/32/326294532.db2.gz VGYVBAFRYWMPSM-UHFFFAOYSA-N 0 3 202.298 0.337 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1CCCN1CC)N(C)C ZINC000157773959 326295422 /nfs/dbraw/zinc/29/54/22/326295422.db2.gz MQWAQSMXWVGPHU-NEPJUHHUSA-N 0 3 241.379 0.927 20 0 BCADHN CC1CCN(CCN2CCn3nncc3C2)CC1 ZINC000568105194 326309012 /nfs/dbraw/zinc/30/90/12/326309012.db2.gz PTHATEMWVKLHJT-UHFFFAOYSA-N 0 3 249.362 0.826 20 0 BCADHN CC[C@H](C(=O)NCc1nccn1CC)N(C)C ZINC000568107263 326309207 /nfs/dbraw/zinc/30/92/07/326309207.db2.gz HQRMSDQTRIFNFM-SNVBAGLBSA-N 0 3 238.335 0.859 20 0 BCADHN O=C1C[C@H](N2CC[C@@H](CC3CC3)C2)C(=O)N1 ZINC000568163208 326317043 /nfs/dbraw/zinc/31/70/43/326317043.db2.gz RFFHGHSIZAITHM-UWVGGRQHSA-N 0 3 222.288 0.524 20 0 BCADHN [O-]c1cccnc1CN1CCC[C@@](O)(CO)C1 ZINC000568181479 326321417 /nfs/dbraw/zinc/32/14/17/326321417.db2.gz UETHQYYMRDGCGE-LBPRGKRZSA-N 0 3 238.287 0.106 20 0 BCADHN [O-]c1cccnc1C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000568181479 326321418 /nfs/dbraw/zinc/32/14/18/326321418.db2.gz UETHQYYMRDGCGE-LBPRGKRZSA-N 0 3 238.287 0.106 20 0 BCADHN [O-]c1cccnc1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000568181479 326321419 /nfs/dbraw/zinc/32/14/19/326321419.db2.gz UETHQYYMRDGCGE-LBPRGKRZSA-N 0 3 238.287 0.106 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)Cc2cc[nH]n2)C1 ZINC000568199050 326324728 /nfs/dbraw/zinc/32/47/28/326324728.db2.gz OUZFWTKLTLNCKS-JTQLQIEISA-N 0 3 236.319 0.710 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000158524004 326326688 /nfs/dbraw/zinc/32/66/88/326326688.db2.gz IQVMZDUALGHXTJ-QMMMGPOBSA-N 0 3 247.298 0.881 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCC[C@H](O)CC2)C1 ZINC000568213465 326327094 /nfs/dbraw/zinc/32/70/94/326327094.db2.gz AOUMHQLLEHKYTQ-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN CN(C)Cc1ccnc(NC(=O)C2(N)CCC2)c1 ZINC000568389479 326353058 /nfs/dbraw/zinc/35/30/58/326353058.db2.gz KUOZJONGZQUTNO-UHFFFAOYSA-N 0 3 248.330 0.963 20 0 BCADHN Cn1cnc(N2CC[C@H]3CCN(C)C[C@@H]32)cc1=O ZINC000568412886 326355978 /nfs/dbraw/zinc/35/59/78/326355978.db2.gz MLVXERSZMZPPHY-MNOVXSKESA-N 0 3 248.330 0.311 20 0 BCADHN CC[C@H]1CN(C)CCN1C(=O)CN(CC)CC ZINC000568673937 326372288 /nfs/dbraw/zinc/37/22/88/326372288.db2.gz QBINOPLHMJNDKI-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000568747762 326373960 /nfs/dbraw/zinc/37/39/60/326373960.db2.gz MGPLAEDULRTXIL-HBNTYKKESA-N 0 3 225.336 0.276 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000568746242 326374505 /nfs/dbraw/zinc/37/45/05/326374505.db2.gz KZAWEWRWBOLQPR-SNVBAGLBSA-N 0 3 247.298 0.881 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)[C@H](C)OC ZINC000568758529 326375676 /nfs/dbraw/zinc/37/56/76/326375676.db2.gz QRIRRECPWHJXLI-HLTSFMKQSA-N 0 3 245.323 0.234 20 0 BCADHN CSC[C@@H](O)CN[C@@H]1C=C[C@H](CO)C1 ZINC000568762086 326375943 /nfs/dbraw/zinc/37/59/43/326375943.db2.gz VWWBOYNUFOKLRV-AEJSXWLSSA-N 0 3 217.334 0.237 20 0 BCADHN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CN ZINC000568866432 326380278 /nfs/dbraw/zinc/38/02/78/326380278.db2.gz JBOKOSNJTLHKPR-SECBINFHSA-N 0 3 222.292 0.649 20 0 BCADHN CCN1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000569067970 326388614 /nfs/dbraw/zinc/38/86/14/326388614.db2.gz PPBOHGDZHCDVAW-MNOVXSKESA-N 0 3 217.309 0.352 20 0 BCADHN C[C@H](NCCC(=O)NC(N)=O)c1cccnc1 ZINC000569111969 326390867 /nfs/dbraw/zinc/39/08/67/326390867.db2.gz ZZXTWYFSXDLIDG-QMMMGPOBSA-N 0 3 236.275 0.317 20 0 BCADHN CC(C)[C@@H](O)C1(CNC(=O)CNC2CC2)CC1 ZINC000572718508 326406584 /nfs/dbraw/zinc/40/65/84/326406584.db2.gz GUSLPZWKHMHUBQ-GFCCVEGCSA-N 0 3 240.347 0.652 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000083960222 487973802 /nfs/dbraw/zinc/97/38/02/487973802.db2.gz VDROEHJHSXIEKY-SSDOTTSWSA-N 0 3 249.270 0.095 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc2c1OCC2 ZINC000083957949 487973575 /nfs/dbraw/zinc/97/35/75/487973575.db2.gz WMMPIZHTZPVOKH-ZETCQYMHSA-N 0 3 206.245 0.907 20 0 BCADHN NCC(=O)N[C@@H]1CNc2ccccc2C1 ZINC000653204665 487974448 /nfs/dbraw/zinc/97/44/48/487974448.db2.gz BLQQYOXUQQUYSL-VIFPVBQESA-N 0 3 205.261 0.098 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)CC1CCCCC1 ZINC000673521359 487979760 /nfs/dbraw/zinc/97/97/60/487979760.db2.gz PXLXFIQZQVFEDN-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@@H](CO)CC1)N(C)C ZINC000340981680 487979768 /nfs/dbraw/zinc/97/97/68/487979768.db2.gz CABNIHOAWFNSMF-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CCN(C(=O)C1(N)CCC1)c1cnn(C)c1 ZINC000655522749 487981921 /nfs/dbraw/zinc/98/19/21/487981921.db2.gz ZFGYHYHJGAXKAN-UHFFFAOYSA-N 0 3 222.292 0.654 20 0 BCADHN CN(CCC(N)=O)[C@H]1COC(C)(C)C1 ZINC000396577983 487984358 /nfs/dbraw/zinc/98/43/58/487984358.db2.gz GMAJQPAOPIWJLW-MRVPVSSYSA-N 0 3 200.282 0.361 20 0 BCADHN CC(C)NCC(=O)NCCOC(C)C ZINC000159138094 487994665 /nfs/dbraw/zinc/99/46/65/487994665.db2.gz XSJOEGNOHACABQ-UHFFFAOYSA-N 0 3 202.298 0.526 20 0 BCADHN CC(C)OCCNC(=O)C1(N)CCCC1 ZINC000159130653 487995057 /nfs/dbraw/zinc/99/50/57/487995057.db2.gz MRWOHOZTGUYYRG-UHFFFAOYSA-N 0 3 214.309 0.799 20 0 BCADHN CCN1CCN(CCOCCOC)C[C@H]1C ZINC000677192595 487995209 /nfs/dbraw/zinc/99/52/09/487995209.db2.gz XPCNEARCICDLEH-GFCCVEGCSA-N 0 3 230.352 0.675 20 0 BCADHN CCNC(=O)CCN1CCN(CC)[C@@H](C)C1 ZINC000677193096 487996454 /nfs/dbraw/zinc/99/64/54/487996454.db2.gz VRQKCSRRNRZGNN-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN CCc1n[nH]cc1C(=O)N[C@@H]1CCN(CC)C1 ZINC000666041866 487997607 /nfs/dbraw/zinc/99/76/07/487997607.db2.gz JWOHLXXIRHSTLC-SECBINFHSA-N 0 3 236.319 0.796 20 0 BCADHN CCCNC(=O)[C@@H](C)n1cc([C@@H](N)CC)nn1 ZINC000229935406 488000483 /nfs/dbraw/zinc/00/04/83/488000483.db2.gz FXONKMYAALFGMU-BDAKNGLRSA-N 0 3 239.323 0.775 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCN(C)C(=O)C1 ZINC000682602091 488000493 /nfs/dbraw/zinc/00/04/93/488000493.db2.gz WPISURXFVLWGMK-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CCN1CCN(Cc2cncn2C)C[C@H]1C ZINC000677196240 488000527 /nfs/dbraw/zinc/00/05/27/488000527.db2.gz RSPMRMIJRGZLHG-LLVKDONJSA-N 0 3 222.336 0.946 20 0 BCADHN CCCNC(=O)[C@H](C)n1cc([C@H](N)CC)nn1 ZINC000229935420 488000733 /nfs/dbraw/zinc/00/07/33/488000733.db2.gz FXONKMYAALFGMU-DTWKUNHWSA-N 0 3 239.323 0.775 20 0 BCADHN CCN(C#N)CCN1CC[C@@H](C)[C@@H](CO)C1 ZINC000602913640 488000779 /nfs/dbraw/zinc/00/07/79/488000779.db2.gz QPRVOSCXZBPMRW-VXGBXAGGSA-N 0 3 225.336 0.740 20 0 BCADHN CN1CCN(C(=O)Nc2cccnc2)[C@H](CN)C1 ZINC000623067097 488001271 /nfs/dbraw/zinc/00/12/71/488001271.db2.gz ZCIWYTZGALVUNL-LLVKDONJSA-N 0 3 249.318 0.188 20 0 BCADHN CCN1CCN(CCC(=O)NC)C[C@H]1C ZINC000677196642 488001490 /nfs/dbraw/zinc/00/14/90/488001490.db2.gz USUCHYBBKBMPHJ-SNVBAGLBSA-N 0 3 213.325 0.149 20 0 BCADHN CN(C)CCOCCNC(=O)NC1CC=CC1 ZINC000682614770 488001685 /nfs/dbraw/zinc/00/16/85/488001685.db2.gz UNAUBENYWIIFEK-UHFFFAOYSA-N 0 3 241.335 0.582 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000084091431 488002545 /nfs/dbraw/zinc/00/25/45/488002545.db2.gz RIAGZGIIIGTBKC-NXEZZACHSA-N 0 3 241.335 0.097 20 0 BCADHN COc1c(N)ncnc1NC[C@@H](C)N(C)C ZINC000134869627 488002960 /nfs/dbraw/zinc/00/29/60/488002960.db2.gz BHUKPQMNPPBTKD-SSDOTTSWSA-N 0 3 225.296 0.429 20 0 BCADHN Cc1cc(CNC(=O)CNC2CC2)[nH]n1 ZINC000309633789 488003203 /nfs/dbraw/zinc/00/32/03/488003203.db2.gz LQVIJFFJFKYQJA-UHFFFAOYSA-N 0 3 208.265 0.086 20 0 BCADHN Cc1cc(CNC(=O)CNC2CC2)n[nH]1 ZINC000309633789 488003206 /nfs/dbraw/zinc/00/32/06/488003206.db2.gz LQVIJFFJFKYQJA-UHFFFAOYSA-N 0 3 208.265 0.086 20 0 BCADHN CC(C)CCN1CCN(CC(=O)N(C)C)CC1 ZINC000053135062 488004050 /nfs/dbraw/zinc/00/40/50/488004050.db2.gz ZILKKZTTWDSCRU-UHFFFAOYSA-N 0 3 241.379 0.738 20 0 BCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H](O)C1CC1 ZINC000669120322 488007502 /nfs/dbraw/zinc/00/75/02/488007502.db2.gz UIONCZLBZINKJE-YUSALJHKSA-N 0 3 240.347 0.556 20 0 BCADHN COCC1(CN[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000655816569 488009588 /nfs/dbraw/zinc/00/95/88/488009588.db2.gz ACIXVMMEVDOXOK-SNVBAGLBSA-N 0 3 247.360 0.580 20 0 BCADHN CCC[C@H](N)c1cn(C[C@H](O)COCC)nn1 ZINC000229957404 488010079 /nfs/dbraw/zinc/01/00/79/488010079.db2.gz ZDJNEVGTAFMNAU-UWVGGRQHSA-N 0 3 242.323 0.475 20 0 BCADHN CNCC(=O)NCC[C@@H]1CCCCO1 ZINC000224109218 488016154 /nfs/dbraw/zinc/01/61/54/488016154.db2.gz OKPGUULCDQVGRU-VIFPVBQESA-N 0 3 200.282 0.281 20 0 BCADHN CSC[C@@H](O)CN1CCN(C)[C@@H](C(C)C)C1 ZINC000487982615 533715547 /nfs/dbraw/zinc/71/55/47/533715547.db2.gz RXDSIMVTTVCTTH-NWDGAFQWSA-N 0 3 246.420 0.982 20 0 BCADHN CC(C)N(C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655923681 488021210 /nfs/dbraw/zinc/02/12/10/488021210.db2.gz ZZAJOBADUZOPDB-LURJTMIESA-N 0 3 227.230 0.926 20 0 BCADHN CO[C@@H](C)CNC(=O)N[C@H](CN)C(F)(F)F ZINC000655929346 488022234 /nfs/dbraw/zinc/02/22/34/488022234.db2.gz SQZXVUNPWLYPFQ-NTSWFWBYSA-N 0 3 243.229 0.210 20 0 BCADHN Cc1nnsc1CNCCc1cn[nH]c1 ZINC000394715130 488022419 /nfs/dbraw/zinc/02/24/19/488022419.db2.gz FMAWZWLZXADHQW-UHFFFAOYSA-N 0 3 223.305 0.902 20 0 BCADHN CCN1CCC(N[C@@H](C)c2ncn(C)n2)CC1 ZINC000391872285 488024057 /nfs/dbraw/zinc/02/40/57/488024057.db2.gz IOSFKYZRTMUUMI-JTQLQIEISA-N 0 3 237.351 0.950 20 0 BCADHN CC[C@@H](C(N)=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000135275458 488024324 /nfs/dbraw/zinc/02/43/24/488024324.db2.gz TWDJWWKNOHEQFP-AEJSXWLSSA-N 0 3 213.325 0.275 20 0 BCADHN Cc1ncsc1CNC[C@@H]1CCC(=O)N1 ZINC000084149444 488026622 /nfs/dbraw/zinc/02/66/22/488026622.db2.gz HYPCDHHOUROASL-QMMMGPOBSA-N 0 3 225.317 0.820 20 0 BCADHN COCC[C@H](C)NC(=O)[C@H]1NCC1(C)C ZINC000309660183 488027066 /nfs/dbraw/zinc/02/70/66/488027066.db2.gz XKSMSOADTXZGAA-DTWKUNHWSA-N 0 3 214.309 0.526 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H](CCO)C1)N(C)C ZINC000677449892 488030942 /nfs/dbraw/zinc/03/09/42/488030942.db2.gz PYGPFFMKVYFUFU-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN CN(C)CCn1cc(NCc2cnnn2C)cn1 ZINC000651991706 488032390 /nfs/dbraw/zinc/03/23/90/488032390.db2.gz RCFVUMMVFMXGTF-UHFFFAOYSA-N 0 3 249.322 0.185 20 0 BCADHN COC[C@H](O)CNCc1ccc(CO)cc1 ZINC000227574630 488033542 /nfs/dbraw/zinc/03/35/42/488033542.db2.gz CDMURYHKAARQLQ-GFCCVEGCSA-N 0 3 225.288 0.276 20 0 BCADHN CNC(=O)CCNCc1ccc(CO)cc1 ZINC000227574065 488034054 /nfs/dbraw/zinc/03/40/54/488034054.db2.gz KWSYVNWOIPNIBL-UHFFFAOYSA-N 0 3 222.288 0.405 20 0 BCADHN COCCCN(C)C(=O)/C=C\CN(C)C ZINC000491684023 488037729 /nfs/dbraw/zinc/03/77/29/488037729.db2.gz CAHIKEIUOIPFEM-ALCCZGGFSA-N 0 3 214.309 0.599 20 0 BCADHN CN(C)CCn1cc(NCc2cn(C)nn2)cn1 ZINC000651991894 488038933 /nfs/dbraw/zinc/03/89/33/488038933.db2.gz UFKIZOUSRSIXJV-UHFFFAOYSA-N 0 3 249.322 0.185 20 0 BCADHN COC[C@@H](NC(=O)C[C@H]1CNCCO1)C(C)C ZINC000091312896 488042967 /nfs/dbraw/zinc/04/29/67/488042967.db2.gz GAOQIEZPQNPUFL-WDEREUQCSA-N 0 3 244.335 0.152 20 0 BCADHN CCCCN(C)C(=O)COC1(C)CNC1 ZINC000165823675 488044221 /nfs/dbraw/zinc/04/42/21/488044221.db2.gz STEXITWWZASNGT-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CCOCCCCNC(=O)CNC(C)C ZINC000388416363 488044466 /nfs/dbraw/zinc/04/44/66/488044466.db2.gz FGXUJBNNMXJTCC-UHFFFAOYSA-N 0 3 216.325 0.917 20 0 BCADHN CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCCN(C)C1 ZINC000669179113 488045173 /nfs/dbraw/zinc/04/51/73/488045173.db2.gz RIOYEKBMLWRNEO-WYUUTHIRSA-N 0 3 238.331 0.431 20 0 BCADHN CC[C@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000165851261 488047137 /nfs/dbraw/zinc/04/71/37/488047137.db2.gz NFWUUJXJJHYBGR-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN Cn1cc(C(=O)N[C@@H](CN)C(F)(F)F)cn1 ZINC000401702923 488049150 /nfs/dbraw/zinc/04/91/50/488049150.db2.gz BAIUKYCBQGSCAX-LURJTMIESA-N 0 3 236.197 0.040 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ncc[nH]2)CCN1C ZINC000669181697 488049190 /nfs/dbraw/zinc/04/91/90/488049190.db2.gz HUNAKZNQSMYXKH-BDAKNGLRSA-N 0 3 222.292 0.622 20 0 BCADHN OC[C@H]1CCN(Cc2cnc3n2CCC3)C1 ZINC000667569744 488049758 /nfs/dbraw/zinc/04/97/58/488049758.db2.gz RODMRNSINSQNHY-JTQLQIEISA-N 0 3 221.304 0.644 20 0 BCADHN Cn1nccc1C(=O)N[C@@H](CN)C(F)(F)F ZINC000401714284 488052834 /nfs/dbraw/zinc/05/28/34/488052834.db2.gz KFJLLHBDKCROKP-LURJTMIESA-N 0 3 236.197 0.040 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1C ZINC000669183366 488052480 /nfs/dbraw/zinc/05/24/80/488052480.db2.gz PQGJWTDYXJCCPR-JCIQBVFBSA-N 0 3 238.331 0.478 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@@H](CN)C(F)(F)F ZINC000401735746 488059390 /nfs/dbraw/zinc/05/93/90/488059390.db2.gz YEKUOCKMAWNHLR-LURJTMIESA-N 0 3 236.197 0.338 20 0 BCADHN NC[C@@H](NC(=O)c1cccnc1)C(F)(F)F ZINC000401737259 488060366 /nfs/dbraw/zinc/06/03/66/488060366.db2.gz ZKWBHRREKQACNC-SSDOTTSWSA-N 0 3 233.193 0.701 20 0 BCADHN COCCC(=O)N[C@@H](CN)C(F)(F)F ZINC000401741669 488062075 /nfs/dbraw/zinc/06/20/75/488062075.db2.gz SCNIZCHRXUCDJA-YFKPBYRVSA-N 0 3 214.187 0.029 20 0 BCADHN NC[C@H](NC(=O)C1CC=CC1)C(F)(F)F ZINC000401748433 488062045 /nfs/dbraw/zinc/06/20/45/488062045.db2.gz WHFXFWKNNAOJMV-ZETCQYMHSA-N 0 3 222.210 0.958 20 0 BCADHN O=C(NCCCCO)[C@@H]1CNCc2ccccc21 ZINC000236493643 488065119 /nfs/dbraw/zinc/06/51/19/488065119.db2.gz HFYPQGJNTBEWOA-CYBMUJFWSA-N 0 3 248.326 0.762 20 0 BCADHN COC[C@H](C)N1CCC[C@@](CO)(OC)C1 ZINC000401768357 488066163 /nfs/dbraw/zinc/06/61/63/488066163.db2.gz 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C[C@@H](O)C1(NCc2ccc(C(N)=O)cc2)CC1 ZINC000668696412 488126214 /nfs/dbraw/zinc/12/62/14/488126214.db2.gz PDNFOVAFIJOSRZ-SECBINFHSA-N 0 3 234.299 0.789 20 0 BCADHN CCn1nccc1CNC1([C@H](C)O)CC1 ZINC000668698263 488128024 /nfs/dbraw/zinc/12/80/24/488128024.db2.gz YRVAVQKYMZPIBO-VIFPVBQESA-N 0 3 209.293 0.906 20 0 BCADHN C[C@@H]1C[C@H](N2CCN3C(=O)NC[C@H]3C2)CCO1 ZINC000659994546 488128255 /nfs/dbraw/zinc/12/82/55/488128255.db2.gz XEUOXUYHXYVSIS-MXWKQRLJSA-N 0 3 239.319 0.263 20 0 BCADHN C[C@@H]1C[C@H](N2CCN3C(=O)NC[C@@H]3C2)CCO1 ZINC000659994543 488128279 /nfs/dbraw/zinc/12/82/79/488128279.db2.gz XEUOXUYHXYVSIS-GMTAPVOTSA-N 0 3 239.319 0.263 20 0 BCADHN CCc1nn(C)cc1CNC1([C@H](C)O)CC1 ZINC000668699092 488130636 /nfs/dbraw/zinc/13/06/36/488130636.db2.gz LZFSCVLAAIAENY-VIFPVBQESA-N 0 3 223.320 0.986 20 0 BCADHN Cc1nccn1CCN1CCC[C@@]12CCNC2=O ZINC000653716499 487539776 /nfs/dbraw/zinc/53/97/76/487539776.db2.gz HCJAQWCZOINFDZ-ZDUSSCGKSA-N 0 3 248.330 0.546 20 0 BCADHN CCNC(=O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000300833295 487539989 /nfs/dbraw/zinc/53/99/89/487539989.db2.gz CIMJEQNSHBEGQI-SNVBAGLBSA-N 0 3 225.296 0.070 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)CCO)N(CC)CC ZINC000340009730 487541219 /nfs/dbraw/zinc/54/12/19/487541219.db2.gz MEYWNRYIAPGJLC-QWRGUYRKSA-N 0 3 230.352 0.994 20 0 BCADHN CC(=O)N[C@H]1CCN(C[C@@H](O)C(C)C)C1 ZINC000300851658 487541411 /nfs/dbraw/zinc/54/14/11/487541411.db2.gz HHVIWFKORULKPE-WDEREUQCSA-N 0 3 214.309 0.214 20 0 BCADHN CC(C)[C@@H](N)c1cn(C[C@H]2CCOC2)nn1 ZINC000300871721 487541993 /nfs/dbraw/zinc/54/19/93/487541993.db2.gz HQXSBAICOLCKDV-MWLCHTKSSA-N 0 3 224.308 0.970 20 0 BCADHN CCn1ccc(NC(=O)CNC2CC2)n1 ZINC000300862889 487542264 /nfs/dbraw/zinc/54/22/64/487542264.db2.gz JHGZPBNOJILPPW-UHFFFAOYSA-N 0 3 208.265 0.594 20 0 BCADHN CC(C)[C@@H](N)c1cn(C[C@@H]2CCOC2)nn1 ZINC000300871715 487542335 /nfs/dbraw/zinc/54/23/35/487542335.db2.gz HQXSBAICOLCKDV-GXSJLCMTSA-N 0 3 224.308 0.970 20 0 BCADHN CC(C)[C@H](N)c1cn(C[C@H]2CCOC2)nn1 ZINC000300871718 487543037 /nfs/dbraw/zinc/54/30/37/487543037.db2.gz HQXSBAICOLCKDV-KOLCDFICSA-N 0 3 224.308 0.970 20 0 BCADHN CNC(=O)CCCN[C@H]1CCCn2ccnc21 ZINC000655701561 487543338 /nfs/dbraw/zinc/54/33/38/487543338.db2.gz HEQWDBQWDXDWHM-JTQLQIEISA-N 0 3 236.319 0.834 20 0 BCADHN COC[C@@H](C)CN1CCc2nn[nH]c2C1 ZINC000668790888 487543788 /nfs/dbraw/zinc/54/37/88/487543788.db2.gz GCDSQNSVZGARMB-QMMMGPOBSA-N 0 3 210.281 0.445 20 0 BCADHN COC[C@@H](C)CN1CCc2n[nH]nc2C1 ZINC000668790888 487543793 /nfs/dbraw/zinc/54/37/93/487543793.db2.gz GCDSQNSVZGARMB-QMMMGPOBSA-N 0 3 210.281 0.445 20 0 BCADHN C[C@@H](C(=O)N1CCCN(C)CC1)N(C)C ZINC000674283964 487545017 /nfs/dbraw/zinc/54/50/17/487545017.db2.gz JOPFOSMVZPMGFN-JTQLQIEISA-N 0 3 213.325 0.101 20 0 BCADHN C[C@H](CO)CN(CC(N)=O)C(C)(C)C ZINC000121270487 490080048 /nfs/dbraw/zinc/08/00/48/490080048.db2.gz XNKWMFMJTCCGGU-QMMMGPOBSA-N 0 3 202.298 0.201 20 0 BCADHN Cc1nccn1CCCNC(=O)[C@H](C)N(C)C ZINC000674286365 487545417 /nfs/dbraw/zinc/54/54/17/487545417.db2.gz VXDYFYRCIWQWMU-JTQLQIEISA-N 0 3 238.335 0.648 20 0 BCADHN Cc1n[nH]cc1CN1CCc2n[nH]nc2C1 ZINC000668791395 487545924 /nfs/dbraw/zinc/54/59/24/487545924.db2.gz KMRAXMMFLPULIU-UHFFFAOYSA-N 0 3 218.264 0.395 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2cnn3c2CCC3)C1 ZINC000668244076 487546654 /nfs/dbraw/zinc/54/66/54/487546654.db2.gz PONMMUDWQMEPFU-SNVBAGLBSA-N 0 3 248.330 0.397 20 0 BCADHN CCOC[C@@H](O)CN1CC(C2CCOCC2)C1 ZINC000669665780 487548297 /nfs/dbraw/zinc/54/82/97/487548297.db2.gz XMYZEDCREZFZJW-ZDUSSCGKSA-N 0 3 243.347 0.742 20 0 BCADHN CC(C)[C@@H](N)c1cn(-c2ccn(C)n2)nn1 ZINC000300739103 487530168 /nfs/dbraw/zinc/53/01/68/487530168.db2.gz AQDHLSQRMKBJPJ-SNVBAGLBSA-N 0 3 220.280 0.657 20 0 BCADHN CC(C)[C@@H](N)c1cn(Cc2cnn(C)c2)nn1 ZINC000382666699 487548328 /nfs/dbraw/zinc/54/83/28/487548328.db2.gz KYEXGFVHDJERER-LLVKDONJSA-N 0 3 234.307 0.716 20 0 BCADHN CCCN1CCN(C(=O)[C@H](C)N(C)C)CC1 ZINC000674287686 487548892 /nfs/dbraw/zinc/54/88/92/487548892.db2.gz XDVCFKVPTMIIPV-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN OCCCN1CCN(C[C@H]2CCCO2)CC1 ZINC000067131440 490081288 /nfs/dbraw/zinc/08/12/88/490081288.db2.gz KWHUYHLIHUKEOL-GFCCVEGCSA-N 0 3 228.336 0.165 20 0 BCADHN Cn1nc2c(cc1=O)CN([C@@H]1CCCOC1)CC2 ZINC000674301332 487552663 /nfs/dbraw/zinc/55/26/63/487552663.db2.gz AQWWQEWYHCTRJM-LLVKDONJSA-N 0 3 249.314 0.317 20 0 BCADHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@@H](O)C1CC1 ZINC000668797959 487556262 /nfs/dbraw/zinc/55/62/62/487556262.db2.gz HEZIOJHLOHVWMN-JQWIXIFHSA-N 0 3 240.347 0.558 20 0 BCADHN OCCO[C@H]1CCCN([C@H]2CCCOC2)C1 ZINC000674303057 487556618 /nfs/dbraw/zinc/55/66/18/487556618.db2.gz SWZSOPUICBNMTQ-RYUDHWBXSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@@H](N)C(=O)NCc1csc(N(C)C)n1 ZINC000169045940 487556707 /nfs/dbraw/zinc/55/67/07/487556707.db2.gz KGBKSQOQRMCUEK-ZCFIWIBFSA-N 0 3 228.321 0.173 20 0 BCADHN CC[C@H](C(=O)N[C@H](CO)CC1CC1)N(C)C ZINC000678389005 488136323 /nfs/dbraw/zinc/13/63/23/488136323.db2.gz QVGXIMMIIHBOMS-WDEREUQCSA-N 0 3 228.336 0.604 20 0 BCADHN CCN(CC)C(=O)C[C@H](C)N[C@@H]1CCNC1=O ZINC000658054176 487533036 /nfs/dbraw/zinc/53/30/36/487533036.db2.gz OEJOINUGKUKFGK-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN COCCNCCNC(=O)[C@@H](C)OCC1CC1 ZINC000237290563 488138885 /nfs/dbraw/zinc/13/88/85/488138885.db2.gz FFQWYCBDCGKHKA-SNVBAGLBSA-N 0 3 244.335 0.154 20 0 BCADHN C[C@@H](C(=O)NCCN1CCCCC1)N(C)C ZINC000674245259 487533736 /nfs/dbraw/zinc/53/37/36/487533736.db2.gz JFMABKJFIFCLCR-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN CC(C)(CO)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673895485 487472616 /nfs/dbraw/zinc/47/26/16/487472616.db2.gz HGCRMFCVLSQWBT-LBPRGKRZSA-N 0 3 242.363 0.554 20 0 BCADHN Cn1nncc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000684967198 487476749 /nfs/dbraw/zinc/47/67/49/487476749.db2.gz AMQPMPGEGCKWSR-SNVBAGLBSA-N 0 3 249.318 0.029 20 0 BCADHN C[C@@H]1OCCN(C[C@@H]2CNCCO2)[C@H]1C ZINC000380498409 487476939 /nfs/dbraw/zinc/47/69/39/487476939.db2.gz DVLHFPKVFFPUFE-DCAQKATOSA-N 0 3 214.309 0.084 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccn(C)n1 ZINC000673943623 487487275 /nfs/dbraw/zinc/48/72/75/487487275.db2.gz DPHQUQMKLFBKJK-UHFFFAOYSA-N 0 3 210.281 0.054 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000668226720 487487749 /nfs/dbraw/zinc/48/77/49/487487749.db2.gz RPDOBDHDISOEQZ-QNWHQSFQSA-N 0 3 241.331 0.947 20 0 BCADHN C[C@H](O)CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000685000539 487487824 /nfs/dbraw/zinc/48/78/24/487487824.db2.gz LZKNCDQCKMWAQN-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN CC(C)NCC(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000659365203 487491830 /nfs/dbraw/zinc/49/18/30/487491830.db2.gz AWDKXGLOWMDZDS-JQWIXIFHSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@H]1CN(C(=O)Cc2cc[nH]n2)[C@@H](C)CN1 ZINC000237613882 487494119 /nfs/dbraw/zinc/49/41/19/487494119.db2.gz XEILSARWVUYPAF-IUCAKERBSA-N 0 3 222.292 0.161 20 0 BCADHN C[C@H]1CN(C(=O)Cc2ccn[nH]2)[C@@H](C)CN1 ZINC000237613882 487494120 /nfs/dbraw/zinc/49/41/20/487494120.db2.gz XEILSARWVUYPAF-IUCAKERBSA-N 0 3 222.292 0.161 20 0 BCADHN C[C@H](O)C[C@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000679968707 487506309 /nfs/dbraw/zinc/50/63/09/487506309.db2.gz FHPDMYGRRVRTSK-DCAQKATOSA-N 0 3 243.351 0.539 20 0 BCADHN CO[C@@H]1CCCN([C@H](C)C(N)=O)CC1 ZINC000679951232 487501048 /nfs/dbraw/zinc/50/10/48/487501048.db2.gz ADYXZZBWDCDDPZ-RKDXNWHRSA-N 0 3 200.282 0.361 20 0 BCADHN COc1cc(C)nc(N[C@H](CO)CN(C)C)n1 ZINC000685261907 487506453 /nfs/dbraw/zinc/50/64/53/487506453.db2.gz BYJUDIQYGQQCRT-VIFPVBQESA-N 0 3 240.307 0.128 20 0 BCADHN C[C@H]1CCC[C@H]1NCC(=O)Nc1ccon1 ZINC000381270506 487503297 /nfs/dbraw/zinc/50/32/97/487503297.db2.gz VJXMOYRZSPEUTP-DTWKUNHWSA-N 0 3 223.276 0.813 20 0 BCADHN O=C(NCCCNCc1cn[nH]c1)C1CCC1 ZINC000674044854 487503994 /nfs/dbraw/zinc/50/39/94/487503994.db2.gz IQAPFZHHXHVNPM-UHFFFAOYSA-N 0 3 236.319 0.806 20 0 BCADHN CCN(C[C@@H]1CCOC1)[C@@H]1CCN(C)C1=O ZINC000677884643 488142347 /nfs/dbraw/zinc/14/23/47/488142347.db2.gz AKITZBILFKLCPA-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN CC[C@H](N)c1cn([C@H]2CCC[C@H]2O)nn1 ZINC000300398236 487512812 /nfs/dbraw/zinc/51/28/12/487512812.db2.gz IGNOVTVAAHRLHD-UJNFCWOMSA-N 0 3 210.281 0.774 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1cccc(N)c1 ZINC000169813674 487508231 /nfs/dbraw/zinc/50/82/31/487508231.db2.gz BRMIMBUDCJYOLS-NSHDSACASA-N 0 3 221.304 0.868 20 0 BCADHN CN1C(=O)C[C@@H](N2CC[C@@H](C3CCC3)C2)C1=O ZINC000666125475 487510223 /nfs/dbraw/zinc/51/02/23/487510223.db2.gz HTRMFXBZXMXHBN-GHMZBOCLSA-N 0 3 236.315 0.866 20 0 BCADHN CC(C)[C@@H](C(=O)NCc1cn(C)nn1)N(C)C ZINC000680004435 487514483 /nfs/dbraw/zinc/51/44/83/487514483.db2.gz KYDDSMIGGPFSPN-JTQLQIEISA-N 0 3 239.323 0.018 20 0 BCADHN Cc1ccncc1CCCNC1(C(N)=O)CC1 ZINC000685427060 487520729 /nfs/dbraw/zinc/52/07/29/487520729.db2.gz KTNGSYFBZKCYTH-UHFFFAOYSA-N 0 3 233.315 0.930 20 0 BCADHN CCn1ncnc1CNCC1CCC(O)CC1 ZINC000227761698 487522610 /nfs/dbraw/zinc/52/26/10/487522610.db2.gz BNQGODBTQCVXKL-UHFFFAOYSA-N 0 3 238.335 0.939 20 0 BCADHN C[C@@H]1SCC[C@@H]1NC(=O)COC1(C)CNC1 ZINC000381812916 487522984 /nfs/dbraw/zinc/52/29/84/487522984.db2.gz IFLVQDILWVRDPA-IUCAKERBSA-N 0 3 244.360 0.375 20 0 BCADHN CCn1cc(CNC2CCN(C)CC2)nn1 ZINC000404414819 488157588 /nfs/dbraw/zinc/15/75/88/488157588.db2.gz CFYSQMRYJCPGHC-UHFFFAOYSA-N 0 3 223.324 0.482 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC000674832814 487631681 /nfs/dbraw/zinc/63/16/81/487631681.db2.gz FTYHKXMMZWPQNL-MWLCHTKSSA-N 0 3 236.319 0.490 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@@H](COC)OC ZINC000668300722 487635956 /nfs/dbraw/zinc/63/59/56/487635956.db2.gz ULECVRXIHOYQJL-LLVKDONJSA-N 0 3 246.351 0.448 20 0 BCADHN CC(C)N(CC(F)F)C[C@H]1CNCCO1 ZINC000387035901 487905822 /nfs/dbraw/zinc/90/58/22/487905822.db2.gz KYAHYEMDEZCYQK-SECBINFHSA-N 0 3 222.279 0.950 20 0 BCADHN Cc1cc(CC(=O)NCC2(N(C)C)CC2)on1 ZINC000652458444 487952660 /nfs/dbraw/zinc/95/26/60/487952660.db2.gz FZYFIWDJGBCHHY-UHFFFAOYSA-N 0 3 237.303 0.736 20 0 BCADHN C[NH+](C)CCCNC(=O)c1c([O-])cccc1O ZINC000220344971 488055732 /nfs/dbraw/zinc/05/57/32/488055732.db2.gz WMFNLUHPNNDWSV-UHFFFAOYSA-N 0 3 238.287 0.779 20 0 BCADHN Cc1occc1CNC(=O)NCCN(C)C ZINC000677804888 488126718 /nfs/dbraw/zinc/12/67/18/488126718.db2.gz NIRHMXBIXQLHIA-UHFFFAOYSA-N 0 3 225.292 0.949 20 0 BCADHN COC[C@@H](NCc1cn[nH]c1)C1CCOCC1 ZINC000657562045 488134881 /nfs/dbraw/zinc/13/48/81/488134881.db2.gz BIHYSNFGBXWEAV-GFCCVEGCSA-N 0 3 239.319 0.941 20 0 BCADHN C[C@H](O)C1(NCc2cnc3n2CCC3)CC1 ZINC000668701270 488136458 /nfs/dbraw/zinc/13/64/58/488136458.db2.gz PLPBPOJYFTVQCQ-VIFPVBQESA-N 0 3 221.304 0.832 20 0 BCADHN Cc1nccn1CCCN1C[C@H](O)C[C@H](O)C1 ZINC000677820708 488137573 /nfs/dbraw/zinc/13/75/73/488137573.db2.gz SZLLEYJUJYZDQQ-TXEJJXNPSA-N 0 3 239.319 0.009 20 0 BCADHN CCC[C@@H](C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000677845086 488138664 /nfs/dbraw/zinc/13/86/64/488138664.db2.gz RURAISXNWMFBLN-VXGBXAGGSA-N 0 3 239.363 0.681 20 0 BCADHN CCC[C@H](C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000677845085 488139168 /nfs/dbraw/zinc/13/91/68/488139168.db2.gz RURAISXNWMFBLN-RYUDHWBXSA-N 0 3 239.363 0.681 20 0 BCADHN CCC[C@@H](C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000677845083 488139786 /nfs/dbraw/zinc/13/97/86/488139786.db2.gz RURAISXNWMFBLN-NEPJUHHUSA-N 0 3 239.363 0.681 20 0 BCADHN CCN(C[C@H]1CCOC1)[C@H](C)C(=O)N(C)C ZINC000677885292 488146861 /nfs/dbraw/zinc/14/68/61/488146861.db2.gz HISMIGPSZPVYFV-GHMZBOCLSA-N 0 3 228.336 0.822 20 0 BCADHN CCN(CC(=O)N(C)C)[C@@H](C)CCOC ZINC000677884779 488147053 /nfs/dbraw/zinc/14/70/53/488147053.db2.gz TUJAKPHETXRAER-JTQLQIEISA-N 0 3 216.325 0.822 20 0 BCADHN CCCN(CCC)S(=O)(=O)N(C)C1CNC1 ZINC000085257895 488150670 /nfs/dbraw/zinc/15/06/70/488150670.db2.gz YTXYNYDVIDCSMC-UHFFFAOYSA-N 0 3 249.380 0.257 20 0 BCADHN C[C@H](CN[C@H]1CO[C@H](C2CC2)C1)S(C)(=O)=O ZINC000667914520 488156407 /nfs/dbraw/zinc/15/64/07/488156407.db2.gz JNZSSAYZHAYDIV-IEBDPFPHSA-N 0 3 247.360 0.577 20 0 BCADHN COCC(COC)n1cc([C@H](N)C(C)C)nn1 ZINC000385053382 488157338 /nfs/dbraw/zinc/15/73/38/488157338.db2.gz RKQWXLKOPWOCNL-LLVKDONJSA-N 0 3 242.323 0.768 20 0 BCADHN CCCC[C@H](COC)NC1(C(N)=O)CC1 ZINC000191484027 488159763 /nfs/dbraw/zinc/15/97/63/488159763.db2.gz MWLQJRLOAYHOND-SECBINFHSA-N 0 3 214.309 0.799 20 0 BCADHN C[C@@H](O)CNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000683417411 488160521 /nfs/dbraw/zinc/16/05/21/488160521.db2.gz UMTDKYWJVVEMTK-KOLCDFICSA-N 0 3 241.335 0.151 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000167381455 488164578 /nfs/dbraw/zinc/16/45/78/488164578.db2.gz AEPHYRSZXLVCBB-VWYCJHECSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H]1SCC[C@@H]1NC(=O)[C@H](N)CC(F)F ZINC000379997742 488165687 /nfs/dbraw/zinc/16/56/87/488165687.db2.gz KNIXBQQPZRMLDL-XVMARJQXSA-N 0 3 238.303 0.979 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)C(C)(C)C(N)=O ZINC000683462869 488167915 /nfs/dbraw/zinc/16/79/15/488167915.db2.gz ZVIYKCOKSPZYFL-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN Cc1nccn1CCN1CCc2c[nH]nc2C1 ZINC000677988893 488169369 /nfs/dbraw/zinc/16/93/69/488169369.db2.gz NDBLYUBFZCKPCQ-UHFFFAOYSA-N 0 3 231.303 0.973 20 0 BCADHN Cc1nccn1CCN1CCc2cn[nH]c2C1 ZINC000677988893 488169371 /nfs/dbraw/zinc/16/93/71/488169371.db2.gz NDBLYUBFZCKPCQ-UHFFFAOYSA-N 0 3 231.303 0.973 20 0 BCADHN CCCCN(C)CCNC(=O)C(C)(C)C(N)=O ZINC000683484271 488173239 /nfs/dbraw/zinc/17/32/39/488173239.db2.gz NQLXHEGXUBNENJ-UHFFFAOYSA-N 0 3 243.351 0.346 20 0 BCADHN CCCCN(CC(N)=O)C[C@H](C)CO ZINC000678044666 488177872 /nfs/dbraw/zinc/17/78/72/488177872.db2.gz XKPHLVNSPPAHHJ-VIFPVBQESA-N 0 3 202.298 0.202 20 0 BCADHN CNS(=O)(=O)CCN[C@H]1CS[C@@H](C)C1 ZINC000230981128 488178430 /nfs/dbraw/zinc/17/84/30/488178430.db2.gz LNSIRWMLIURJMP-JGVFFNPUSA-N 0 3 238.378 0.019 20 0 BCADHN C[C@@H](CO)CN1CC[C@@H](N2CCCC2=O)C1 ZINC000678046021 488182253 /nfs/dbraw/zinc/18/22/53/488182253.db2.gz NXFAWDTUKCUZAT-GHMZBOCLSA-N 0 3 226.320 0.312 20 0 BCADHN CCOCC[C@H](O)CN1CCCOC[C@@H]1C ZINC000683522335 488183743 /nfs/dbraw/zinc/18/37/43/488183743.db2.gz XUWHPORPHVSZIK-RYUDHWBXSA-N 0 3 231.336 0.885 20 0 BCADHN COC[C@H](OC)C(=O)N1CCC[C@H]1CN(C)C ZINC000668013064 488185099 /nfs/dbraw/zinc/18/50/99/488185099.db2.gz PTKBQEZSNHCGLD-QWRGUYRKSA-N 0 3 244.335 0.200 20 0 BCADHN CC(C)(C)[C@H](CO)NCC(=O)Nc1ccon1 ZINC000683525614 488186772 /nfs/dbraw/zinc/18/67/72/488186772.db2.gz XJFNGHCKGGTXKU-QMMMGPOBSA-N 0 3 241.291 0.610 20 0 BCADHN COC[C@@H](C)CC(=O)N[C@H](CN)C(F)(F)F ZINC000401765802 488187426 /nfs/dbraw/zinc/18/74/26/488187426.db2.gz YJNXVKVFEFAQFZ-NKWVEPMBSA-N 0 3 242.241 0.665 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@H](O)C2CC2)C1 ZINC000668022372 488188559 /nfs/dbraw/zinc/18/85/59/488188559.db2.gz DWCKFHJTUHTQJY-WDEREUQCSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@H]1C[C@H](O)CN1Cc1cnn2c1CCC2 ZINC000668044955 488194479 /nfs/dbraw/zinc/19/44/79/488194479.db2.gz CUDAUHDSHLJIRB-ONGXEEELSA-N 0 3 221.304 0.784 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CNCCO2)CC[C@H]1C ZINC000299918889 488194734 /nfs/dbraw/zinc/19/47/34/488194734.db2.gz VSYDJBUWLJPTHA-GRYCIOLGSA-N 0 3 228.336 0.332 20 0 BCADHN C[C@@H](C(=O)NCC1(N(C)C)CC1)N(C)C ZINC000668050798 488195851 /nfs/dbraw/zinc/19/58/51/488195851.db2.gz VNXWJFGSIWKEHY-VIFPVBQESA-N 0 3 213.325 0.147 20 0 BCADHN CN1CCC[C@@H](NC(=O)Nc2ccncn2)C1 ZINC000683574687 488199969 /nfs/dbraw/zinc/19/99/69/488199969.db2.gz WQLRNKMVCUULHO-SECBINFHSA-N 0 3 235.291 0.692 20 0 BCADHN CC[C@H](N[C@H]1C[C@@H](OC)C12CCC2)C(N)=O ZINC000308353520 488201554 /nfs/dbraw/zinc/20/15/54/488201554.db2.gz XEVYNFWCVFSAQB-LPEHRKFASA-N 0 3 226.320 0.798 20 0 BCADHN COC[C@@H](OC)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000668096084 488201760 /nfs/dbraw/zinc/20/17/60/488201760.db2.gz YGULJJNHUVVUHL-GXSJLCMTSA-N 0 3 244.335 0.247 20 0 BCADHN CC(C)N1CCCN(C(=O)c2ncc[nH]2)CC1 ZINC000668101100 488202705 /nfs/dbraw/zinc/20/27/05/488202705.db2.gz GAPAGBQABYIMBF-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN Cc1ncc(CN2CC[C@](C)(C(N)=O)C2)n1C ZINC000668097918 488203323 /nfs/dbraw/zinc/20/33/23/488203323.db2.gz ZHVASGQBNDKXAU-LBPRGKRZSA-N 0 3 236.319 0.426 20 0 BCADHN CO[C@@H]1CCCC[C@@H]1N[C@H]1CCN(C)C1=O ZINC000300399173 488208563 /nfs/dbraw/zinc/20/85/63/488208563.db2.gz QMKYKZQBOWHWBD-GARJFASQSA-N 0 3 226.320 0.764 20 0 BCADHN CN(C[C@@H]1CCCO1)C[C@@H]1CNCCO1 ZINC000043802660 488208603 /nfs/dbraw/zinc/20/86/03/488208603.db2.gz XZLKAQQXDAOYEH-QWRGUYRKSA-N 0 3 214.309 0.086 20 0 BCADHN COCC[C@@]1(NCc2cnnn2C)CCOC1 ZINC000683707083 488210574 /nfs/dbraw/zinc/21/05/74/488210574.db2.gz INBVQWRTMFSBGO-LLVKDONJSA-N 0 3 240.307 0.100 20 0 BCADHN COCC[C@]1(NCc2cnnn2C)CCOC1 ZINC000683707091 488210991 /nfs/dbraw/zinc/21/09/91/488210991.db2.gz INBVQWRTMFSBGO-NSHDSACASA-N 0 3 240.307 0.100 20 0 BCADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O ZINC000678172863 488212228 /nfs/dbraw/zinc/21/22/28/488212228.db2.gz MUWZSSDXKYFJGV-GHMZBOCLSA-N 0 3 226.320 0.312 20 0 BCADHN CCn1nncc1CNCC1(CO)CCCC1 ZINC000669555577 488217321 /nfs/dbraw/zinc/21/73/21/488217321.db2.gz NMYJNAKITHCOTD-UHFFFAOYSA-N 0 3 238.335 0.940 20 0 BCADHN CCCn1nccc1CNCCCC(=O)NC ZINC000398343383 488217498 /nfs/dbraw/zinc/21/74/98/488217498.db2.gz WDPLBPIOLRARAR-UHFFFAOYSA-N 0 3 238.335 0.909 20 0 BCADHN CN1C[C@H]2CCN(Cc3cnn4c3CCC4)[C@@H]2C1 ZINC000668186940 488217409 /nfs/dbraw/zinc/21/74/09/488217409.db2.gz UCENNUSSNZQSQS-BXUZGUMPSA-N 0 3 246.358 0.965 20 0 BCADHN NC(=O)CC[C@@H]1CCCN(Cc2cn[nH]c2)C1 ZINC000678220569 488220554 /nfs/dbraw/zinc/22/05/54/488220554.db2.gz MMXMODZNXHCZAW-JTQLQIEISA-N 0 3 236.319 0.887 20 0 BCADHN NC(=O)CC[C@H]1CCCN(Cc2cn[nH]c2)C1 ZINC000678220572 488220587 /nfs/dbraw/zinc/22/05/87/488220587.db2.gz MMXMODZNXHCZAW-SNVBAGLBSA-N 0 3 236.319 0.887 20 0 BCADHN CN(C)C[C@H]1CCCCN1C(=O)[C@H](O)C1CC1 ZINC000668212736 488227873 /nfs/dbraw/zinc/22/78/73/488227873.db2.gz KZHSSRLXLAYBGK-VXGBXAGGSA-N 0 3 240.347 0.700 20 0 BCADHN CN1CC[C@@H]2CN(Cc3cnc4n3CCC4)C[C@@H]21 ZINC000668217838 488229550 /nfs/dbraw/zinc/22/95/50/488229550.db2.gz UECAIGNYEASMGL-YPMHNXCESA-N 0 3 246.358 0.965 20 0 BCADHN CN(CCN1CCCS1(=O)=O)CC1(C)CC1 ZINC000683832001 488229684 /nfs/dbraw/zinc/22/96/84/488229684.db2.gz IMIDURBOPSRQJW-UHFFFAOYSA-N 0 3 246.376 0.754 20 0 BCADHN CCC(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000683913927 488243722 /nfs/dbraw/zinc/24/37/22/488243722.db2.gz OYNAHWTXNUZTGE-NSHDSACASA-N 0 3 214.309 0.312 20 0 BCADHN CC[C@@H](C)C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000683911920 488243756 /nfs/dbraw/zinc/24/37/56/488243756.db2.gz DWISGTKRRWRTKJ-YPMHNXCESA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H](CO)CC1CC1)N(C)C ZINC000678383534 488249213 /nfs/dbraw/zinc/24/92/13/488249213.db2.gz LZPUYTFCHYENAY-VXGBXAGGSA-N 0 3 242.363 0.850 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CO)CC1CC1 ZINC000678386383 488249815 /nfs/dbraw/zinc/24/98/15/488249815.db2.gz LZWQMGAIKGRLNT-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN NC(=O)c1cncc(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000678393831 488250940 /nfs/dbraw/zinc/25/09/40/488250940.db2.gz MZMGZEHKDOJAHR-MRVPVSSYSA-N 0 3 247.302 0.224 20 0 BCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CCCCO ZINC000678475743 488256514 /nfs/dbraw/zinc/25/65/14/488256514.db2.gz GLPHFHQSKQRTAD-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN CCn1nccc1C(=O)N[C@@H](C)CN(C)C ZINC000672516756 488258233 /nfs/dbraw/zinc/25/82/33/488258233.db2.gz MFKDDHTYYHLBMK-VIFPVBQESA-N 0 3 224.308 0.583 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cnc2[nH]cnc2c1 ZINC000672516814 488258316 /nfs/dbraw/zinc/25/83/16/488258316.db2.gz QNMKBYDXWRRYEC-QMMMGPOBSA-N 0 3 247.302 0.638 20 0 BCADHN Cc1noc(C)c1CNCCc1nnnn1C ZINC000678498633 488262603 /nfs/dbraw/zinc/26/26/03/488262603.db2.gz KMOLJCDSOQZSJG-UHFFFAOYSA-N 0 3 236.279 0.147 20 0 BCADHN CCCn1cc(CNCCc2nnnn2C)cn1 ZINC000678498813 488262882 /nfs/dbraw/zinc/26/28/82/488262882.db2.gz FIDPPWLFHLUTSX-UHFFFAOYSA-N 0 3 249.322 0.149 20 0 BCADHN CC1(C)CN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000684086022 488263963 /nfs/dbraw/zinc/26/39/63/488263963.db2.gz RWGKWCTVUJHZGX-LLVKDONJSA-N 0 3 237.347 0.245 20 0 BCADHN C[C@@H](C(=O)N[C@H]1CCc2nc[nH]c2C1)N(C)C ZINC000678572824 488267562 /nfs/dbraw/zinc/26/75/62/488267562.db2.gz JUPXHHOYHKTWEH-IUCAKERBSA-N 0 3 236.319 0.333 20 0 BCADHN C[C@@H](C(=O)N[C@H]1CCc2[nH]cnc2C1)N(C)C ZINC000678572824 488267564 /nfs/dbraw/zinc/26/75/64/488267564.db2.gz JUPXHHOYHKTWEH-IUCAKERBSA-N 0 3 236.319 0.333 20 0 BCADHN CN1CCC[C@H](N2CCC(C)(O)CC2)C1=O ZINC000679318152 488334585 /nfs/dbraw/zinc/33/45/85/488334585.db2.gz DDMSTMSRMHNMDZ-JTQLQIEISA-N 0 3 226.320 0.454 20 0 BCADHN c1cc2n(n1)C[C@H](CN1CCCOCC1)CN2 ZINC000684195372 488274367 /nfs/dbraw/zinc/27/43/67/488274367.db2.gz NUCIAAQKAQJCFZ-NSHDSACASA-N 0 3 236.319 0.647 20 0 BCADHN CN(Cc1cn[nH]c1)C[C@@H]1CNc2ccnn2C1 ZINC000684197784 488274831 /nfs/dbraw/zinc/27/48/31/488274831.db2.gz JKYWPOOVFPZZEC-NSHDSACASA-N 0 3 246.318 0.780 20 0 BCADHN CN(C)CCN(C(=O)c1ccn(C)n1)C1CC1 ZINC000673083601 488276195 /nfs/dbraw/zinc/27/61/95/488276195.db2.gz KKVHGSFGGLUDDU-UHFFFAOYSA-N 0 3 236.319 0.586 20 0 BCADHN CC[C@@H]1CN(C[C@H](C)CO)C[C@@]2(CCOC2)O1 ZINC000684626040 488335424 /nfs/dbraw/zinc/33/54/24/488335424.db2.gz HLRWCSQDZBGHNG-YNEHKIRRSA-N 0 3 243.347 0.885 20 0 BCADHN CN(C[C@@H](O)C1CC1)[C@H]1CCCN(C)C1=O ZINC000679319794 488335524 /nfs/dbraw/zinc/33/55/24/488335524.db2.gz KZIRELCNSGTXAB-WDEREUQCSA-N 0 3 226.320 0.310 20 0 BCADHN CCCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673514271 488292047 /nfs/dbraw/zinc/29/20/47/488292047.db2.gz IOXJCAJNDMKNDA-QWRGUYRKSA-N 0 3 226.320 0.454 20 0 BCADHN CCCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673514273 488292270 /nfs/dbraw/zinc/29/22/70/488292270.db2.gz IOXJCAJNDMKNDA-WDEREUQCSA-N 0 3 226.320 0.454 20 0 BCADHN O=C(c1ccc[nH]1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673515948 488292360 /nfs/dbraw/zinc/29/23/60/488292360.db2.gz OVBJYFPVQCFJGI-GHMZBOCLSA-N 0 3 249.314 0.296 20 0 BCADHN CN1CC=C(CNC(=O)c2cocn2)CC1 ZINC000678877351 488292800 /nfs/dbraw/zinc/29/28/00/488292800.db2.gz AVURPNMTWWNBCX-UHFFFAOYSA-N 0 3 221.260 0.666 20 0 BCADHN Cc1nc(CN2CCN(CCCF)CC2)n[nH]1 ZINC000678890011 488294129 /nfs/dbraw/zinc/29/41/29/488294129.db2.gz DJIFMFSTAZCECD-UHFFFAOYSA-N 0 3 241.314 0.590 20 0 BCADHN O[C@@H](Cn1cccn1)CN1CC=CCC1 ZINC000679321404 488336088 /nfs/dbraw/zinc/33/60/88/488336088.db2.gz BBDUOJQLBBVDKW-LLVKDONJSA-N 0 3 207.277 0.506 20 0 BCADHN CC[C@@H](C)C(=O)N[C@H](CO)CN1CCCC1 ZINC000673531082 488294201 /nfs/dbraw/zinc/29/42/01/488294201.db2.gz MHSXZVBBDPXQEG-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN Cc1ccc(C(=O)N[C@@H](CO)CN(C)C)cn1 ZINC000673524109 488294207 /nfs/dbraw/zinc/29/42/07/488294207.db2.gz PPYZTFYJLYUBBL-LLVKDONJSA-N 0 3 237.303 0.042 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)CCc1ccco1 ZINC000673524518 488294311 /nfs/dbraw/zinc/29/43/11/488294311.db2.gz XBULIYHTWPRTND-JTQLQIEISA-N 0 3 240.303 0.251 20 0 BCADHN O=C(N[C@@H](CO)CN1CCCC1)c1ccccn1 ZINC000673534030 488294702 /nfs/dbraw/zinc/29/47/02/488294702.db2.gz ZIQSYBGLIRIJLJ-LLVKDONJSA-N 0 3 249.314 0.268 20 0 BCADHN Cc1cc(CC(=O)N[C@H]2CCCN(C)C2)no1 ZINC000673660871 488301507 /nfs/dbraw/zinc/30/15/07/488301507.db2.gz FGBCATWXHHTRFJ-JTQLQIEISA-N 0 3 237.303 0.736 20 0 BCADHN CC(C)(CO)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000673894841 488311770 /nfs/dbraw/zinc/31/17/70/488311770.db2.gz HHLOQSLDTPFBLF-LBPRGKRZSA-N 0 3 242.363 0.411 20 0 BCADHN CN1CC(=O)N([C@@H]2CCN(CC3CC3)C2)C1=O ZINC000679138648 488312707 /nfs/dbraw/zinc/31/27/07/488312707.db2.gz AMHCFSOOFKDFIY-SNVBAGLBSA-N 0 3 237.303 0.365 20 0 BCADHN CNC(=O)CCN1CC[C@@H](C)[C@@H](F)C1 ZINC000679220806 488319093 /nfs/dbraw/zinc/31/90/93/488319093.db2.gz FEEJIVZTEDODQF-BDAKNGLRSA-N 0 3 202.273 0.802 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CCN(C)C(=O)C1 ZINC000684490036 488321189 /nfs/dbraw/zinc/32/11/89/488321189.db2.gz IYAIWUHEWKETKS-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN C[C@](O)(CO)CNCc1ccc2[nH]cnc2c1 ZINC000684536717 488326791 /nfs/dbraw/zinc/32/67/91/488326791.db2.gz RQGARMGZMSVBSC-GFCCVEGCSA-N 0 3 235.287 0.396 20 0 BCADHN C[C@](O)(CO)CNCc1ccc2nc[nH]c2c1 ZINC000684536717 488326792 /nfs/dbraw/zinc/32/67/92/488326792.db2.gz RQGARMGZMSVBSC-GFCCVEGCSA-N 0 3 235.287 0.396 20 0 BCADHN Cc1cccc2ncc(CNC[C@@](C)(O)CO)n21 ZINC000684536852 488326967 /nfs/dbraw/zinc/32/69/67/488326967.db2.gz WOYVTHWIGBGJIL-CYBMUJFWSA-N 0 3 249.314 0.476 20 0 BCADHN COC[C@@H](C)OC[C@@H](O)CN1CC(C(C)C)C1 ZINC000684606705 488331377 /nfs/dbraw/zinc/33/13/77/488331377.db2.gz AIZREQLIWJGXFE-YPMHNXCESA-N 0 3 245.363 0.987 20 0 BCADHN CC(C(=O)N1CC=CCC1)S(C)(=O)=O ZINC000679327419 488339362 /nfs/dbraw/zinc/33/93/62/488339362.db2.gz MNQUZWJGEPIRBJ-MRVPVSSYSA-N 0 3 217.290 0.208 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NCCc1nnnn1C ZINC000679350347 488342902 /nfs/dbraw/zinc/34/29/02/488342902.db2.gz DQNSCXSRUSBHIT-ZETCQYMHSA-N 0 3 235.295 0.135 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NCCc1nnnn1C ZINC000679350346 488343059 /nfs/dbraw/zinc/34/30/59/488343059.db2.gz DQNSCXSRUSBHIT-SSDOTTSWSA-N 0 3 235.295 0.135 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)NCCF ZINC000684807821 488344927 /nfs/dbraw/zinc/34/49/27/488344927.db2.gz JRCIFRHPWAHRIP-SECBINFHSA-N 0 3 217.288 0.739 20 0 BCADHN C[C@H](CCCCO)N[C@@H](CO)c1cnn(C)c1 ZINC000679358310 488345002 /nfs/dbraw/zinc/34/50/02/488345002.db2.gz AGFDNTHEHFNLFD-PWSUYJOCSA-N 0 3 241.335 0.594 20 0 BCADHN CC[C@H]1CN(C)CCCN1C(=O)[C@@H]1CCOC1 ZINC000684823546 488346411 /nfs/dbraw/zinc/34/64/11/488346411.db2.gz GRMCJWXFJJNTTI-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](N[C@@H](C)c1cn[nH]c1)[C@@H]1CN(C)CCO1 ZINC000684836634 488347970 /nfs/dbraw/zinc/34/79/70/488347970.db2.gz ZNNYBHHJNIITDI-UMNHJUIQSA-N 0 3 238.335 0.779 20 0 BCADHN CC[C@H]1CN(C)CCCN1C(=O)CCOC ZINC000684861747 488349324 /nfs/dbraw/zinc/34/93/24/488349324.db2.gz BRFZMYHMJHKFOK-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CN1CCC[C@H](NC(=O)Cc2ccncc2)C1 ZINC000679444474 488351933 /nfs/dbraw/zinc/35/19/33/488351933.db2.gz WRWIXQLIQHXYPI-LBPRGKRZSA-N 0 3 233.315 0.835 20 0 BCADHN Cc1nccc(C(=O)NC2(CN(C)C)CCC2)n1 ZINC000684942656 488354618 /nfs/dbraw/zinc/35/46/18/488354618.db2.gz SMYYPFZGJMOXMI-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1C[C@H](OC)C1(C)C ZINC000225288284 490047326 /nfs/dbraw/zinc/04/73/26/490047326.db2.gz GPQLFHJOQYPXGW-VGMNWLOBSA-N 0 3 214.309 0.653 20 0 BCADHN C[C@H](NCC1=CCCOC1)[C@H]1CN(C)CCO1 ZINC000129282962 490053567 /nfs/dbraw/zinc/05/35/67/490053567.db2.gz LLDPFFUWYYPLHQ-WCQYABFASA-N 0 3 240.347 0.642 20 0 BCADHN COCCN(C)CCNC(=O)NC1CC=CC1 ZINC000120476888 490062357 /nfs/dbraw/zinc/06/23/57/490062357.db2.gz FAZXWSRSNKYZNE-UHFFFAOYSA-N 0 3 241.335 0.582 20 0 BCADHN CC(C)CCc1cc(NC(=O)[C@H](C)N)n[nH]1 ZINC000564943134 490097999 /nfs/dbraw/zinc/09/79/99/490097999.db2.gz XIDHAVVEAFCSHJ-QMMMGPOBSA-N 0 3 224.308 1.284 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)[C@H]1CCC[C@@H]1O ZINC000352659683 490098948 /nfs/dbraw/zinc/09/89/48/490098948.db2.gz KMIYNEAXKGHRAY-UTLUCORTSA-N 0 3 214.309 0.308 20 0 BCADHN Cn1nncc1CNCC1(CO)CCCCC1 ZINC000122144656 490126905 /nfs/dbraw/zinc/12/69/05/490126905.db2.gz SHXVIAFLBBRMGC-UHFFFAOYSA-N 0 3 238.335 0.848 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(F)cn2)C1 ZINC000644816088 490135162 /nfs/dbraw/zinc/13/51/62/490135162.db2.gz UIQKBIAQHPNVKI-CABZTGNLSA-N 0 3 249.289 0.997 20 0 BCADHN CC[C@@H](C(N)=O)N(C)CCCSC ZINC000301039654 490160934 /nfs/dbraw/zinc/16/09/34/490160934.db2.gz YRVIYFLDEGVELI-QMMMGPOBSA-N 0 3 204.339 0.935 20 0 BCADHN COC[C@@H](CC(C)(C)C)N[C@@H]1COC[C@H]1O ZINC000652205693 490169349 /nfs/dbraw/zinc/16/93/49/490169349.db2.gz GRNDRJWFQNUVDO-GMTAPVOTSA-N 0 3 231.336 0.787 20 0 BCADHN CCNC(=O)CN[C@@H]1CCO[C@H](CC)C1 ZINC000069861717 490190216 /nfs/dbraw/zinc/19/02/16/490190216.db2.gz DBMFJQIOZXYMJB-NXEZZACHSA-N 0 3 214.309 0.670 20 0 BCADHN CCOC[C@H](O)CNCc1cccc(CO)c1 ZINC000227467344 490184708 /nfs/dbraw/zinc/18/47/08/490184708.db2.gz OVILTISDUIDTPW-CYBMUJFWSA-N 0 3 239.315 0.666 20 0 BCADHN CC1(C)C[C@H](N[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000070342888 490209958 /nfs/dbraw/zinc/20/99/58/490209958.db2.gz CDIWYKUIYRVRCC-NXEZZACHSA-N 0 3 247.360 0.721 20 0 BCADHN C[C@H](NCC[C@@]1(O)CCOC1)c1ccncn1 ZINC000404157662 490225051 /nfs/dbraw/zinc/22/50/51/490225051.db2.gz VQWLECBIMOGTMU-CMPLNLGQSA-N 0 3 237.303 0.669 20 0 BCADHN Cc1cn[nH]c1CN1CC[C@@H](Cn2ccnn2)C1 ZINC000668452831 490248927 /nfs/dbraw/zinc/24/89/27/490248927.db2.gz ODDKUIDFRIRUDZ-LLVKDONJSA-N 0 3 246.318 0.832 20 0 BCADHN O=C(CN[C@H]1CCCOC1)NCC(F)(F)F ZINC000071012967 490252468 /nfs/dbraw/zinc/25/24/68/490252468.db2.gz KWBBXEGYJFTUPJ-ZETCQYMHSA-N 0 3 240.225 0.434 20 0 BCADHN CC(C)NCC(=O)NCCc1ncc[nH]1 ZINC000125151257 490254431 /nfs/dbraw/zinc/25/44/31/490254431.db2.gz RAYJBKOUSPTREX-UHFFFAOYSA-N 0 3 210.281 0.066 20 0 BCADHN O[C@@H]1COC[C@H]1N1CCC2(CCO2)CC1 ZINC000558658329 490287689 /nfs/dbraw/zinc/28/76/89/490287689.db2.gz IQDZKUSXSWURBK-NXEZZACHSA-N 0 3 213.277 0.001 20 0 BCADHN CSCC(=O)Nc1ccnn1CCN(C)C ZINC000294059051 490312409 /nfs/dbraw/zinc/31/24/09/490312409.db2.gz LXCALALXHOMBPO-UHFFFAOYSA-N 0 3 242.348 0.746 20 0 BCADHN CC[C@@H](N)c1cn(CCn2cccn2)nn1 ZINC000229950027 490370035 /nfs/dbraw/zinc/37/00/35/490370035.db2.gz AZGPGRZKBMTPEG-SECBINFHSA-N 0 3 220.280 0.585 20 0 BCADHN Cc1ncc(CN(C)C[C@@H]2CNCCO2)s1 ZINC000125476446 490436284 /nfs/dbraw/zinc/43/62/84/490436284.db2.gz FLXXFJCISQWNMH-JTQLQIEISA-N 0 3 241.360 0.872 20 0 BCADHN C[C@H](O)[C@@H]1CCCN([C@@H](C)C(=O)N(C)C)C1 ZINC000305205648 490449377 /nfs/dbraw/zinc/44/93/77/490449377.db2.gz XXQZHGTZFZPMCT-GARJFASQSA-N 0 3 228.336 0.556 20 0 BCADHN COC1CCN(CCNC(=O)C2CC2)CC1 ZINC000079685198 490457606 /nfs/dbraw/zinc/45/76/06/490457606.db2.gz DABYPBHYNSHQDT-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H]1CCC(=O)N1 ZINC000126048474 490480989 /nfs/dbraw/zinc/48/09/89/490480989.db2.gz IAPDWLSCJRDDAM-JTQLQIEISA-N 0 3 222.292 0.097 20 0 BCADHN C[C@@H](NCc1ccn(C)c1)[C@@H]1CN(C)CCO1 ZINC000127012603 490533466 /nfs/dbraw/zinc/53/34/66/490533466.db2.gz FRIMHQSGNDHUFT-YPMHNXCESA-N 0 3 237.347 0.834 20 0 BCADHN c1nc2c(n1C[C@@H]1CNCCO1)CCCC2 ZINC000127329078 490545883 /nfs/dbraw/zinc/54/58/83/490545883.db2.gz ICKIWIWWXHGMNO-JTQLQIEISA-N 0 3 221.304 0.750 20 0 BCADHN CC[C@@H](O)CCNC(=O)CNC(C)C ZINC000218841952 490547384 /nfs/dbraw/zinc/54/73/84/490547384.db2.gz 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20 0 BCADHN CCN(CC(=O)NCC1CC1)CC(C)(C)O ZINC000078747684 535772141 /nfs/dbraw/zinc/77/21/41/535772141.db2.gz XIKRDPZVTZVODJ-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@@H]1CCCN1C(=O)C(C)S(C)(=O)=O ZINC000335981997 535820325 /nfs/dbraw/zinc/82/03/25/535820325.db2.gz YRJWUUBYBBURMC-DTWKUNHWSA-N 0 3 233.333 0.821 20 0 BCADHN CN(C)CCN(C(=O)COCC1CC1)C1CC1 ZINC000348276106 535840334 /nfs/dbraw/zinc/84/03/34/535840334.db2.gz NKXUHGWWSKBEQZ-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C)CCN(C)C(=O)c1cncn1C ZINC000348853191 535849612 /nfs/dbraw/zinc/84/96/12/535849612.db2.gz PDMCIMQJAITWPE-UHFFFAOYSA-N 0 3 210.281 0.054 20 0 BCADHN CCn1nccc1NC(=O)CCOC1CNC1 ZINC000349001695 535876019 /nfs/dbraw/zinc/87/60/19/535876019.db2.gz OQZFJDQGFZROPC-UHFFFAOYSA-N 0 3 238.291 0.220 20 0 BCADHN CN(C)CCNC(=O)NCCOCC1CC1 ZINC000342648054 535884952 /nfs/dbraw/zinc/88/49/52/535884952.db2.gz NQTQJXUMXXDNHD-UHFFFAOYSA-N 0 3 229.324 0.274 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000336041363 535943183 /nfs/dbraw/zinc/94/31/83/535943183.db2.gz KVUNHELKXSTBSP-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN CC[C@H](OC)C(=O)NC[C@@H]1CCCN1C ZINC000347729991 536021008 /nfs/dbraw/zinc/02/10/08/536021008.db2.gz ACSRNFSBWDXBCX-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CN(C(=O)[C@@H](N)C1CCOCC1)[C@H]1CC1(C)C ZINC000335561156 536058245 /nfs/dbraw/zinc/05/82/45/536058245.db2.gz FTHGQEJIRMYYEQ-QWRGUYRKSA-N 0 3 240.347 0.997 20 0 BCADHN CN(C(=O)C(N)C(F)(F)F)[C@H]1CCOC1 ZINC000261546310 536058631 /nfs/dbraw/zinc/05/86/31/536058631.db2.gz KUABHTIZPLPHKX-NTSWFWBYSA-N 0 3 226.198 0.123 20 0 BCADHN CN(C(=O)[C@H]1CCCO1)[C@@H]1CCN(C2CC2)C1 ZINC000335903346 536063619 /nfs/dbraw/zinc/06/36/19/536063619.db2.gz HWRVVXADJQMFQB-VXGBXAGGSA-N 0 3 238.331 0.861 20 0 BCADHN CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCCN(C)C1 ZINC000335675451 536063711 /nfs/dbraw/zinc/06/37/11/536063711.db2.gz ANRYJVWTNNMPOG-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN CCn1cc(CNC[C@H](COC)OC)cn1 ZINC000227705278 536072809 /nfs/dbraw/zinc/07/28/09/536072809.db2.gz NRHXGVVCKYTQAK-LLVKDONJSA-N 0 3 227.308 0.654 20 0 BCADHN CC[C@@]1(CO)CCCN1C(=O)[C@@H]1CCN(C)C1 ZINC000336043105 536082127 /nfs/dbraw/zinc/08/21/27/536082127.db2.gz CPHFSHQTSSHOBB-YPMHNXCESA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@@H]1CCCCN1 ZINC000087370329 536089460 /nfs/dbraw/zinc/08/94/60/536089460.db2.gz VXUXDCOILJUMKI-MNOVXSKESA-N 0 3 228.336 0.653 20 0 BCADHN CC[C@H](N)C(=O)N1CCN(c2ccccn2)CC1 ZINC000036871276 536140212 /nfs/dbraw/zinc/14/02/12/536140212.db2.gz WBJITCKYFJWZIG-NSHDSACASA-N 0 3 248.330 0.468 20 0 BCADHN CNC(=O)C[C@H](C)N[C@H]1C[C@H]1C(F)F ZINC000348160608 536300341 /nfs/dbraw/zinc/30/03/41/536300341.db2.gz LMSSOIGDZOIMTK-XVMARJQXSA-N 0 3 206.236 0.754 20 0 BCADHN CNS(=O)(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000352151717 536302757 /nfs/dbraw/zinc/30/27/57/536302757.db2.gz UDXLINWPAMGQCB-NXEZZACHSA-N 0 3 249.380 0.161 20 0 BCADHN CN1C(=O)CC[C@H](N[C@H]2CCCSC2)C1=O ZINC000084406331 536309974 /nfs/dbraw/zinc/30/99/74/536309974.db2.gz AOIZNVAJNPIPKE-IUCAKERBSA-N 0 3 242.344 0.619 20 0 BCADHN CN1CCC(NC(=O)N[C@@H]2CC23CC3)CC1 ZINC000335600038 536341661 /nfs/dbraw/zinc/34/16/61/536341661.db2.gz FDPKISNXHWAZOO-SNVBAGLBSA-N 0 3 223.320 0.932 20 0 BCADHN CN1CCC(NC(=O)[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000335829000 536342354 /nfs/dbraw/zinc/34/23/54/536342354.db2.gz SQNVHHRAFCVEDE-ZYHUDNBSSA-N 0 3 240.347 0.748 20 0 BCADHN CN1CCC(NC(=O)[C@@]2(O)CCSC2)CC1 ZINC000335936758 536342589 /nfs/dbraw/zinc/34/25/89/536342589.db2.gz STUSZHBDPZCHKL-LLVKDONJSA-N 0 3 244.360 0.065 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)C(=O)C1(N)CCCC1 ZINC000178192301 536343919 /nfs/dbraw/zinc/34/39/19/536343919.db2.gz JPTUSOLLOOAQQT-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)CO ZINC000334313055 536351057 /nfs/dbraw/zinc/35/10/57/536351057.db2.gz MZAOYKUHGKWSKA-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN CNC(=O)[C@@H](NCCSC)C(C)C ZINC000183660996 536353179 /nfs/dbraw/zinc/35/31/79/536353179.db2.gz QQEYHJDXNMIXTB-QMMMGPOBSA-N 0 3 204.339 0.710 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)[C@](C)(O)C1CC1 ZINC000342593315 536367017 /nfs/dbraw/zinc/36/70/17/536367017.db2.gz WICRSFYPMWXIRD-CYBMUJFWSA-N 0 3 240.347 0.700 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CCN2CCC1CC2 ZINC000335972451 536369680 /nfs/dbraw/zinc/36/96/80/536369680.db2.gz VZDWPMXZDWSPMO-GFCCVEGCSA-N 0 3 237.347 0.387 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NC1CCC1 ZINC000223987136 536371845 /nfs/dbraw/zinc/37/18/45/536371845.db2.gz SNAGVLDLZVOOMS-SNVBAGLBSA-N 0 3 211.309 0.932 20 0 BCADHN CN(CCO)Cc1ccc2c(c1)oc(=O)n2C ZINC000259064896 536392214 /nfs/dbraw/zinc/39/22/14/536392214.db2.gz RNVNDJGRJWWNQS-UHFFFAOYSA-N 0 3 236.271 0.556 20 0 BCADHN CN1CCC[C@]2(CCN(C(=O)c3cc[nH]n3)C2)C1 ZINC000334409355 536394046 /nfs/dbraw/zinc/39/40/46/536394046.db2.gz SJLQJJHKCLDRDE-ZDUSSCGKSA-N 0 3 248.330 0.968 20 0 BCADHN CNC(=O)[C@H]1CN(C2CCCC2)CCO1 ZINC000184080249 536399046 /nfs/dbraw/zinc/39/90/46/536399046.db2.gz IJNKSWWBAYVWSG-SNVBAGLBSA-N 0 3 212.293 0.376 20 0 BCADHN CNC(=O)c1ccc(CN2C[C@@H](C)[C@@H](O)C2)cc1 ZINC000351780334 536424093 /nfs/dbraw/zinc/42/40/93/536424093.db2.gz MBWJZOLJHCROBM-MFKMUULPSA-N 0 3 248.326 0.859 20 0 BCADHN CN1CC[C@@H](N2CC[C@](C)(C(N)=O)C2)C1=O ZINC000336087529 536452679 /nfs/dbraw/zinc/45/26/79/536452679.db2.gz CDRXECAMMBORCM-KCJUWKMLSA-N 0 3 225.292 0.464 20 0 BCADHN CN1CC[C@H](N2CCC3(CCO3)CC2)C1=O ZINC000367092066 536478008 /nfs/dbraw/zinc/47/80/08/536478008.db2.gz CNROYJASWCVKPO-JTQLQIEISA-N 0 3 224.304 0.472 20 0 BCADHN CO[C@@H](CNC(=O)[C@@H]1CCCCN1)C(C)C ZINC000262455529 536496523 /nfs/dbraw/zinc/49/65/23/536496523.db2.gz TVJGATNKELLORF-QWRGUYRKSA-N 0 3 228.336 0.916 20 0 BCADHN COCCOCCN1CCC[C@@H](C(=O)OC)C1 ZINC000079411464 536500505 /nfs/dbraw/zinc/50/05/05/536500505.db2.gz VUPQFVDHKOPMLH-LLVKDONJSA-N 0 3 245.319 0.534 20 0 BCADHN COCCOCCN[C@H](C(N)=O)C(C)(C)C ZINC000175655500 536515003 /nfs/dbraw/zinc/51/50/03/536515003.db2.gz GTMIVTSVFNFNHM-SECBINFHSA-N 0 3 232.324 0.139 20 0 BCADHN CO[C@H](CN)C(=O)NCCCC(F)(F)F ZINC000227396463 536558710 /nfs/dbraw/zinc/55/87/10/536558710.db2.gz YICUMHSTSXXUQA-ZCFIWIBFSA-N 0 3 228.214 0.419 20 0 BCADHN COC1(C)CCN([C@@H]2CCNC2=O)CC1 ZINC000335558412 536567208 /nfs/dbraw/zinc/56/72/08/536567208.db2.gz YQSUHRAAVBEQLM-SECBINFHSA-N 0 3 212.293 0.376 20 0 BCADHN COCCCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000171572924 536573768 /nfs/dbraw/zinc/57/37/68/536573768.db2.gz SSZIULYNLAVHOM-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN COC(=O)[C@H](C)CN(C)[C@H]1CCCCNC1=O ZINC000251154120 536605955 /nfs/dbraw/zinc/60/59/55/536605955.db2.gz YSHSTQNZJYTTOE-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN CO[C@H](CNC(=O)N[C@H](C)CN(C)C)C(C)C ZINC000353992363 536617164 /nfs/dbraw/zinc/61/71/64/536617164.db2.gz BRKFPRGDGPEKPH-GHMZBOCLSA-N 0 3 245.367 0.907 20 0 BCADHN CO[C@H]1CCC[C@@H]1CNC(=O)C1(N)CC1 ZINC000261576647 536718376 /nfs/dbraw/zinc/71/83/76/536718376.db2.gz KMNARWMNSXQUIR-BDAKNGLRSA-N 0 3 212.293 0.409 20 0 BCADHN COC[C@@H](O)CN1CCC(F)(F)[C@H](C)C1 ZINC000351984383 536730420 /nfs/dbraw/zinc/73/04/20/536730420.db2.gz XNSSKAWFWZOUON-BDAKNGLRSA-N 0 3 223.263 0.971 20 0 BCADHN COC[C@@H]1CCCCN([C@H](C)C(N)=O)C1 ZINC000342573577 536742628 /nfs/dbraw/zinc/74/26/28/536742628.db2.gz VLAMCJUPAGOEBD-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN COC1CCN(C(=O)N(C)CCN(C)C)CC1 ZINC000349312426 536742798 /nfs/dbraw/zinc/74/27/98/536742798.db2.gz LUZYPRNPMSUMDK-UHFFFAOYSA-N 0 3 243.351 0.711 20 0 BCADHN CN1C[C@H](Nc2cc(N)ncc2Cl)CC1=O ZINC000892625065 582932873 /nfs/dbraw/zinc/93/28/73/582932873.db2.gz ZDYILCYPQCMKSU-ZCFIWIBFSA-N 0 3 240.694 0.960 20 0 BCADHN CC[C@H](C(=O)NC1CCC(CO)CC1)N(C)C ZINC000095441336 538027913 /nfs/dbraw/zinc/02/79/13/538027913.db2.gz QFUPKWNTRAXQGV-HTAVTVPLSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](CO)CN[C@H](CO)c1ccsc1 ZINC000379619749 538108080 /nfs/dbraw/zinc/10/80/80/538108080.db2.gz CWNQRPFHDCLKEG-WCBMZHEXSA-N 0 3 215.318 1.000 20 0 BCADHN C[C@H](CO)N[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892668199 582946056 /nfs/dbraw/zinc/94/60/56/582946056.db2.gz CUVPCPLITRAPNX-OPRDCNLKSA-N 0 3 233.283 0.591 20 0 BCADHN C[C@@]1(O)CCN(CCn2ccccc2=O)C1 ZINC000226206214 566337713 /nfs/dbraw/zinc/33/77/13/566337713.db2.gz MWPDAAQAQVCBLH-GFCCVEGCSA-N 0 3 222.288 0.305 20 0 BCADHN COc1ccc(CNCC2(O)CCOCC2)o1 ZINC000892914598 583008875 /nfs/dbraw/zinc/00/88/75/583008875.db2.gz VZNARRBGJHRTGY-UHFFFAOYSA-N 0 3 241.287 0.919 20 0 BCADHN C[C@@H]1CCCC[C@@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852800772 583017677 /nfs/dbraw/zinc/01/76/77/583017677.db2.gz BPKIVGCLYHYKFL-UTLUCORTSA-N 0 3 239.319 0.785 20 0 BCADHN F[C@@H]1CC2(CC[C@@H]1N[C@@H]1CCOC1)OCCO2 ZINC000893180062 583065064 /nfs/dbraw/zinc/06/50/64/583065064.db2.gz BAOUVDJVBMPOTQ-MXWKQRLJSA-N 0 3 245.294 0.999 20 0 BCADHN F[C@@H]1CC2(CC[C@H]1N[C@@H]1CCOC1)OCCO2 ZINC000893180058 583065270 /nfs/dbraw/zinc/06/52/70/583065270.db2.gz BAOUVDJVBMPOTQ-GMTAPVOTSA-N 0 3 245.294 0.999 20 0 BCADHN COC[C@H](C)CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644815059 583138024 /nfs/dbraw/zinc/13/80/24/583138024.db2.gz OJCDQDPASAHABG-UTUOFQBUSA-N 0 3 240.347 0.822 20 0 BCADHN CN1C[C@@H]2CCN(c3nccnc3F)[C@@H]2C1 ZINC000893937028 583253365 /nfs/dbraw/zinc/25/33/65/583253365.db2.gz YQDSAOCELBDCPJ-DTWKUNHWSA-N 0 3 222.267 0.756 20 0 BCADHN Cc1cc(N)nc(NCCC2(CO)CC2)n1 ZINC000894096019 583300435 /nfs/dbraw/zinc/30/04/35/583300435.db2.gz UNMJTODPXGWDMU-UHFFFAOYSA-N 0 3 222.292 0.942 20 0 BCADHN COC(=O)CCCNC[C@H](O)c1ccccn1 ZINC000853097031 588719597 /nfs/dbraw/zinc/71/95/97/588719597.db2.gz TWFXCVSBPYOWMB-NSHDSACASA-N 0 3 238.287 0.658 20 0 BCADHN O[C@H](CN[C@H]1CCN(C2CC2)C1)c1ccccn1 ZINC000853098741 588720003 /nfs/dbraw/zinc/72/00/03/588720003.db2.gz LTPSWJYHCXZEAY-SMDDNHRTSA-N 0 3 247.342 0.941 20 0 BCADHN CCC[C@@H](O)CNC[C@H](O)c1ccccn1 ZINC000853109646 588721002 /nfs/dbraw/zinc/72/10/02/588721002.db2.gz PGECJKXCHMLXDB-PWSUYJOCSA-N 0 3 224.304 0.866 20 0 BCADHN O[C@@H](CN[C@@H]1C[C@@H](O)C1)c1ccccn1 ZINC000853130569 588721963 /nfs/dbraw/zinc/72/19/63/588721963.db2.gz BZAUUAVPPQKPAU-QXEWZRGKSA-N 0 3 208.261 0.228 20 0 BCADHN O[C@@H](CN[C@@H]1C[C@@H](O)C1)c1ccccc1 ZINC000853130625 588722058 /nfs/dbraw/zinc/72/20/58/588722058.db2.gz DMUKYXBFORVYJO-SRVKXCTJSA-N 0 3 207.273 0.833 20 0 BCADHN O[C@H](CN[C@@H]1C[C@@H](O)C1)c1ccc(F)cc1 ZINC000853131179 588722335 /nfs/dbraw/zinc/72/23/35/588722335.db2.gz NLANHFBTOIXAHF-IJLUTSLNSA-N 0 3 225.263 0.972 20 0 BCADHN c1nncn1CN1CC[C@H]2COC[C@@H]2C1 ZINC000853586970 588748237 /nfs/dbraw/zinc/74/82/37/588748237.db2.gz CHSZLDZUWCZENV-UWVGGRQHSA-N 0 3 208.265 0.204 20 0 BCADHN C[C@H]1CN(CN(C)CC2CN(C)C2)C(=O)[C@H]1C ZINC000853553457 588748518 /nfs/dbraw/zinc/74/85/18/588748518.db2.gz FLFIAHHNLZICGS-QWRGUYRKSA-N 0 3 239.363 0.552 20 0 BCADHN CS/C=C\C(=O)N1CCOC2(CNC2)C1 ZINC000854015860 588771936 /nfs/dbraw/zinc/77/19/36/588771936.db2.gz QZCFCTUTHFDOHV-DJWKRKHSSA-N 0 3 228.317 0.064 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@H]1C=CCC1 ZINC000854221771 588780395 /nfs/dbraw/zinc/78/03/95/588780395.db2.gz VAXNRLOZGMXRSZ-HBNTYKKESA-N 0 3 224.304 0.588 20 0 BCADHN COc1ccccc1OC(=O)C1CCNC1=O ZINC000854315804 588783242 /nfs/dbraw/zinc/78/32/42/588783242.db2.gz DNNMDGFWSILHIY-MRVPVSSYSA-N 0 3 235.239 0.737 20 0 BCADHN COc1ccccc1OC(=O)C1CCNC1=O ZINC000854315805 588783369 /nfs/dbraw/zinc/78/33/69/588783369.db2.gz DNNMDGFWSILHIY-QMMMGPOBSA-N 0 3 235.239 0.737 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NN1CCCC1 ZINC000854328281 588784418 /nfs/dbraw/zinc/78/44/18/588784418.db2.gz SXFLQVSRIRIWLV-NSHDSACASA-N 0 3 225.336 0.988 20 0 BCADHN COC/C(C)=C/C(=O)NOC1CCN(C)CC1 ZINC000854357886 588784855 /nfs/dbraw/zinc/78/48/55/588784855.db2.gz LMAXEOUAWOMYSH-CSKARUKUSA-N 0 3 242.319 0.721 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)CCCF)CC1 ZINC000854358405 588785159 /nfs/dbraw/zinc/78/51/59/588785159.db2.gz XAKHQGCOANIDLA-UHFFFAOYSA-N 0 3 218.272 0.878 20 0 BCADHN CCC/C=C\C(=O)N[C@@H](CO)CN(C)C ZINC000854466612 588788651 /nfs/dbraw/zinc/78/86/51/588788651.db2.gz 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0.964 20 0 BCADHN CCN(C(=O)C1=COCCO1)[C@@H]1CCN(C)C1 ZINC000855362385 588828811 /nfs/dbraw/zinc/82/88/11/588828811.db2.gz MSVBLNUCQUZPLD-SNVBAGLBSA-N 0 3 240.303 0.427 20 0 BCADHN CCN(C(=O)C1=COCCO1)[C@H]1CCN(C)C1 ZINC000855362380 588828939 /nfs/dbraw/zinc/82/89/39/588828939.db2.gz MSVBLNUCQUZPLD-JTQLQIEISA-N 0 3 240.303 0.427 20 0 BCADHN CCN(C(=O)[C@H](O)C(C)(C)C)[C@@H]1CCN(C)C1 ZINC000855361247 588829022 /nfs/dbraw/zinc/82/90/22/588829022.db2.gz UCQKMBRAVPBRQP-MNOVXSKESA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@H](CO)C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000855359915 588829147 /nfs/dbraw/zinc/82/91/47/588829147.db2.gz FMQYJYDJFSUUMA-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CCN(C(=O)[C@H]1CC(C)=NO1)[C@H]1CCN(C)C1 ZINC000855363178 588829175 /nfs/dbraw/zinc/82/91/75/588829175.db2.gz ZNKPCXYMTCNFRO-WDEREUQCSA-N 0 3 239.319 0.704 20 0 BCADHN CCN(C(=O)/C=C/COC)[C@H]1CCN(C)C1 ZINC000855361085 588829242 /nfs/dbraw/zinc/82/92/42/588829242.db2.gz ROWURYOZEQYHLR-QRGHLMKCSA-N 0 3 226.320 0.742 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC000890697894 582508631 /nfs/dbraw/zinc/50/86/31/582508631.db2.gz UFEANFMIVQVMQT-NXEZZACHSA-N 0 3 232.299 0.260 20 0 BCADHN C[C@H](CCNC(=O)c1cc(C=O)c[nH]1)N(C)C ZINC000855417595 588832301 /nfs/dbraw/zinc/83/23/01/588832301.db2.gz KVDLLWKRIIJMMO-SECBINFHSA-N 0 3 237.303 0.897 20 0 BCADHN C[C@H](NC(=S)NCCN(C)C)C(F)(F)F ZINC000806606070 582547782 /nfs/dbraw/zinc/54/77/82/582547782.db2.gz JUMHLHWCTJKTDM-LURJTMIESA-N 0 3 243.298 0.963 20 0 BCADHN CCOC(=O)[C@@H](CC1CC1)NC(=O)[C@@H](N)CC ZINC000843447580 582557485 /nfs/dbraw/zinc/55/74/85/582557485.db2.gz FQICIPXXXHRCAM-VHSXEESVSA-N 0 3 242.319 0.572 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1COC[C@@H]1C1CC1)N(C)C ZINC000891035544 582598277 /nfs/dbraw/zinc/59/82/77/582598277.db2.gz VESYYKCXVWMXEJ-WOPDTQHZSA-N 0 3 240.347 0.868 20 0 BCADHN COCCN(CCF)C(=O)C1CCN(C)CC1 ZINC000855591983 588840700 /nfs/dbraw/zinc/84/07/00/588840700.db2.gz NLECNHRJCFDJQO-UHFFFAOYSA-N 0 3 246.326 0.773 20 0 BCADHN CC[C@H](C(=O)NCCOC(=O)N(C)C)N(C)C ZINC000855650808 588843658 /nfs/dbraw/zinc/84/36/58/588843658.db2.gz AVLWAQCQJRMYFE-SECBINFHSA-N 0 3 245.323 0.141 20 0 BCADHN O=c1cc(CN2CCC(O)CC2)cc[nH]1 ZINC000891491217 582692042 /nfs/dbraw/zinc/69/20/42/582692042.db2.gz LVJITBAEMUUXOI-UHFFFAOYSA-N 0 3 208.261 0.744 20 0 BCADHN COCCOCCCNc1nc(C)cc(N)n1 ZINC000891596710 582700355 /nfs/dbraw/zinc/70/03/55/582700355.db2.gz AWVGQXXDHHXYRO-UHFFFAOYSA-N 0 3 240.307 0.832 20 0 BCADHN CN(C)CCNC(=O)c1ccc2c(n1)CCCN2 ZINC000891599252 582701515 /nfs/dbraw/zinc/70/15/15/582701515.db2.gz GIQMVOQILJMYLU-UHFFFAOYSA-N 0 3 248.330 0.731 20 0 BCADHN CNC(=O)C1CCN(c2ccncc2CO)CC1 ZINC000891643160 582705750 /nfs/dbraw/zinc/70/57/50/582705750.db2.gz IBZDNEXBSWLGTF-UHFFFAOYSA-N 0 3 249.314 0.536 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1N[C@@H](C)C1CCC1 ZINC000668508850 582706068 /nfs/dbraw/zinc/70/60/68/582706068.db2.gz XBZHTACALAWUIG-JMJZKYOTSA-N 0 3 247.360 0.577 20 0 BCADHN Cc1cc(N)nc(N2CCN(C(C)C)CC2)n1 ZINC000891724788 582714706 /nfs/dbraw/zinc/71/47/06/582714706.db2.gz NHICRVSWLMMVCN-UHFFFAOYSA-N 0 3 235.335 0.898 20 0 BCADHN OCc1cnccc1NC[C@H](O)c1ccco1 ZINC000891778895 582719366 /nfs/dbraw/zinc/71/93/66/582719366.db2.gz UNVPSGOGVSMAPR-NSHDSACASA-N 0 3 234.255 0.734 20 0 BCADHN C[C@@H]1CC[C@H](CNC(=S)NCCN(C)C)O1 ZINC000840842597 582735476 /nfs/dbraw/zinc/73/54/76/582735476.db2.gz XRDFRGOTFDQIEF-NXEZZACHSA-N 0 3 245.392 0.580 20 0 BCADHN COCCN(CCO)Cc1cc[nH]c(=O)c1 ZINC000891912792 582737113 /nfs/dbraw/zinc/73/71/13/582737113.db2.gz LHBUTXRXYQAEQB-UHFFFAOYSA-N 0 3 226.276 0.228 20 0 BCADHN COCCOCCNc1nc(C)cc(N)n1 ZINC000892000725 582757991 /nfs/dbraw/zinc/75/79/91/582757991.db2.gz UZIDCLNTMQEMKT-UHFFFAOYSA-N 0 3 226.280 0.442 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000892061743 582780056 /nfs/dbraw/zinc/78/00/56/582780056.db2.gz UWIAYVXUMMIOSH-DDHJBXDOSA-N 0 3 237.347 0.988 20 0 BCADHN CCCCOC(=O)C(C)(C)NC(=O)[C@H](C)N ZINC000848436820 582787431 /nfs/dbraw/zinc/78/74/31/582787431.db2.gz FVEKRNIUDXKEOD-QMMMGPOBSA-N 0 3 230.308 0.572 20 0 BCADHN OCc1cnccc1NCC1CCOCC1 ZINC000892174192 582805027 /nfs/dbraw/zinc/80/50/27/582805027.db2.gz ZFVSMICXPGRLLJ-UHFFFAOYSA-N 0 3 222.288 0.834 20 0 BCADHN O=C(NC[C@@H]1C=CCC1)NC[C@@H]1CNCCO1 ZINC000892183372 582805730 /nfs/dbraw/zinc/80/57/30/582805730.db2.gz GPVXMQNAIAIZLS-MNOVXSKESA-N 0 3 239.319 0.240 20 0 BCADHN CN1CC[C@](O)(CNCc2nccs2)C1 ZINC000393605781 582817211 /nfs/dbraw/zinc/81/72/11/582817211.db2.gz FVJLZEUUENMBJH-JTQLQIEISA-N 0 3 227.333 0.299 20 0 BCADHN C/C=C\C(=O)N1CCN(C)CCN(C)CC1 ZINC000888980932 582824341 /nfs/dbraw/zinc/82/43/41/582824341.db2.gz UQTWHMWJTYHQRC-PLNGDYQASA-N 0 3 225.336 0.268 20 0 BCADHN CCCN(C)CC(=O)NCCN(C)C(=O)OC ZINC000855941444 588854868 /nfs/dbraw/zinc/85/48/68/588854868.db2.gz QHWTWUCRQMZGQS-UHFFFAOYSA-N 0 3 245.323 0.143 20 0 BCADHN C[C@H](C(=O)N1CC[C@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC000889137047 582838060 /nfs/dbraw/zinc/83/80/60/582838060.db2.gz 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582950943 /nfs/dbraw/zinc/95/09/43/582950943.db2.gz JRZASCYKUUZAJL-VIFPVBQESA-N 0 3 240.307 0.831 20 0 BCADHN OCc1cnccc1NC[C@H]1CCC[C@@H]1O ZINC000892704773 582961233 /nfs/dbraw/zinc/96/12/33/582961233.db2.gz OANYWGWDPMWNPC-SKDRFNHKSA-N 0 3 222.288 0.569 20 0 BCADHN OCc1cnccc1NC[C@@H]1CCC[C@H]1O ZINC000892704771 582961504 /nfs/dbraw/zinc/96/15/04/582961504.db2.gz OANYWGWDPMWNPC-JOYOIKCWSA-N 0 3 222.288 0.569 20 0 BCADHN C[C@@]12COC[C@]1(C)CN(C(=O)[C@@H]1C[C@@H]1N)C2 ZINC000851642174 582961730 /nfs/dbraw/zinc/96/17/30/582961730.db2.gz VDQVPNWNLHOSDR-DMWPJOQESA-N 0 3 224.304 0.219 20 0 BCADHN C[C@]1(O)CCN(C[C@H](O)c2ccccn2)C1 ZINC000851800996 582968086 /nfs/dbraw/zinc/96/80/86/582968086.db2.gz XVQWFAYSPPDRCZ-RYUDHWBXSA-N 0 3 222.288 0.572 20 0 BCADHN C[C@]1(NC(=O)COC2CC2)CN2CCC1CC2 ZINC000892758074 582977233 /nfs/dbraw/zinc/97/72/33/582977233.db2.gz HJAZKKACZPLJIM-ZDUSSCGKSA-N 0 3 238.331 0.766 20 0 BCADHN Cn1nccc1C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892787146 582982767 /nfs/dbraw/zinc/98/27/67/582982767.db2.gz YVKVNYRNIBWTGZ-ZDUSSCGKSA-N 0 3 248.330 0.634 20 0 BCADHN OCc1cnccc1NC[C@@]1(O)CCSC1 ZINC000892787219 582982771 /nfs/dbraw/zinc/98/27/71/582982771.db2.gz WNAMMEUENNFNHG-NSHDSACASA-N 0 3 240.328 0.276 20 0 BCADHN C[C@]1(F)CCCN(C[C@H]2CNC(=O)C2)C1 ZINC000852097486 583000932 /nfs/dbraw/zinc/00/09/32/583000932.db2.gz XEQBNFQFKFEOSN-KOLCDFICSA-N 0 3 214.284 0.947 20 0 BCADHN C[C@@H](CCCO)Nc1ccncc1CO ZINC000892884314 583005276 /nfs/dbraw/zinc/00/52/76/583005276.db2.gz XGJCCXSXQQPWRW-VIFPVBQESA-N 0 3 210.277 0.569 20 0 BCADHN O=C(N[C@H]1C[C@H](O)C1)C1CCN(C2CC2)CC1 ZINC000856395305 588871533 /nfs/dbraw/zinc/87/15/33/588871533.db2.gz RNRPOQGKLNHGAX-UMSPYCQHSA-N 0 3 238.331 0.500 20 0 BCADHN CC(C)(O)CN[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892950115 583017552 /nfs/dbraw/zinc/01/75/52/583017552.db2.gz AOQJQRRQMZPITI-UWVGGRQHSA-N 0 3 247.310 0.981 20 0 BCADHN CC(C)[C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852852983 583020309 /nfs/dbraw/zinc/02/03/09/583020309.db2.gz OHULEBULZYCQMC-ZJUUUORDSA-N 0 3 239.319 0.595 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(F)ccc1C(N)=O ZINC000852901948 583023032 /nfs/dbraw/zinc/02/30/32/583023032.db2.gz XBFXKHBVTOJHLV-QMMMGPOBSA-N 0 3 239.250 0.600 20 0 BCADHN CCO[C@@H]1C[C@@H](NCCC[S@@](C)=O)[C@H]1OC ZINC000893004859 583027465 /nfs/dbraw/zinc/02/74/65/583027465.db2.gz NFLVDEXVBFVEQI-LDMQVWGESA-N 0 3 249.376 0.537 20 0 BCADHN Cc1cc(CNCC[S@@](C)=O)cnc1F ZINC000893005402 583029171 /nfs/dbraw/zinc/02/91/71/583029171.db2.gz SZMUNFYGLHKTKW-OAHLLOKOSA-N 0 3 230.308 0.997 20 0 BCADHN C[C@H](CCO)N[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893005037 583029698 /nfs/dbraw/zinc/02/96/98/583029698.db2.gz OSRZUVJPNOARMM-OUAUKWLOSA-N 0 3 247.310 0.981 20 0 BCADHN CN(C)C1(C(=O)NCCOCCF)CCC1 ZINC000856473227 588873449 /nfs/dbraw/zinc/87/34/49/588873449.db2.gz OBWKFFDUNULPHD-UHFFFAOYSA-N 0 3 232.299 0.573 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2cnco2)CCN1 ZINC000856488859 588873798 /nfs/dbraw/zinc/87/37/98/588873798.db2.gz GEZLMKGNPMEAFT-SECBINFHSA-N 0 3 223.276 0.745 20 0 BCADHN Cc1cc(N)nc(N2C[C@@H](C)N(C)C[C@H]2C)n1 ZINC000893077614 583043351 /nfs/dbraw/zinc/04/33/51/583043351.db2.gz BEEIQWFMHXHRSQ-NXEZZACHSA-N 0 3 235.335 0.896 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)CC2OCCO2)CCN1 ZINC000856489556 588873904 /nfs/dbraw/zinc/87/39/04/588873904.db2.gz OSPZNYMFNAELDW-JTQLQIEISA-N 0 3 242.319 0.206 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCN1 ZINC000856488672 588873971 /nfs/dbraw/zinc/87/39/71/588873971.db2.gz BBQDVMKZJYRCPD-JTQLQIEISA-N 0 3 236.319 0.409 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2cnsn2)CCN1 ZINC000856486364 588874043 /nfs/dbraw/zinc/87/40/43/588874043.db2.gz YLSWWFAZOBQXIT-VIFPVBQESA-N 0 3 240.332 0.608 20 0 BCADHN COC1(CNc2ccncc2CO)CCC1 ZINC000893107700 583050526 /nfs/dbraw/zinc/05/05/26/583050526.db2.gz HRYZRHQBGUCAAX-UHFFFAOYSA-N 0 3 222.288 0.977 20 0 BCADHN COC[C@H](CNc1nc(C)cc(N)n1)OC ZINC000893115989 583051432 /nfs/dbraw/zinc/05/14/32/583051432.db2.gz 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227.304 0.642 20 0 BCADHN CCO[C@@H]1C[C@@H](NC[C@@H](COC)OC)[C@H]1OC ZINC000893485267 583152776 /nfs/dbraw/zinc/15/27/76/583152776.db2.gz WAMWPQIGLXDBBT-IRCOFANPSA-N 0 3 247.335 0.430 20 0 BCADHN Cc1cc(COC(=O)C2CCN(C)C2=O)ccn1 ZINC000856934516 588880408 /nfs/dbraw/zinc/88/04/08/588880408.db2.gz WNOIZFDTKFCJHM-NSHDSACASA-N 0 3 248.282 0.912 20 0 BCADHN Cc1cc(COC(=O)C2CCN(C)C2=O)ccn1 ZINC000856934515 588880430 /nfs/dbraw/zinc/88/04/30/588880430.db2.gz WNOIZFDTKFCJHM-LLVKDONJSA-N 0 3 248.282 0.912 20 0 BCADHN C[C@H](O)CCCNc1ccncc1CO ZINC000893562943 583164273 /nfs/dbraw/zinc/16/42/73/583164273.db2.gz XHGLXSASQNYYGT-VIFPVBQESA-N 0 3 210.277 0.569 20 0 BCADHN COCC[C@H](N)C(=O)NCC[C@@H]1CCCCO1 ZINC000224057665 583182727 /nfs/dbraw/zinc/18/27/27/583182727.db2.gz CWKMPARSENRNJG-QWRGUYRKSA-N 0 3 244.335 0.426 20 0 BCADHN CCN1CC[C@H](N2C[C@H](C)[C@@](C)(CO)C2)C1=O ZINC000662141599 583209383 /nfs/dbraw/zinc/20/93/83/583209383.db2.gz IHOCUJQAJVDKMN-GMXVVIOVSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)N[C@H]2CCOC2)C1 ZINC000893813819 583225509 /nfs/dbraw/zinc/22/55/09/583225509.db2.gz OYIXFAYQNXHGKG-MNOVXSKESA-N 0 3 241.335 0.416 20 0 BCADHN Cn1cc(CNCCc2nc[nH]n2)c(Cl)n1 ZINC000856771755 588876950 /nfs/dbraw/zinc/87/69/50/588876950.db2.gz MPNBCROTOGOFLF-UHFFFAOYSA-N 0 3 240.698 0.524 20 0 BCADHN CCn1ncc(CN2CC[C@@H](F)[C@H](N)C2)n1 ZINC000857086456 588886751 /nfs/dbraw/zinc/88/67/51/588886751.db2.gz KRKLMIYHQBEUFV-NXEZZACHSA-N 0 3 227.287 0.169 20 0 BCADHN CCn1ncc(CN2CCNC[C@](C)(F)C2)n1 ZINC000857086890 588887052 /nfs/dbraw/zinc/88/70/52/588887052.db2.gz MQYVSUCTORRPCY-NSHDSACASA-N 0 3 241.314 0.431 20 0 BCADHN NC(=O)C[C@@H]1CCN(c2ccncc2CO)C1 ZINC000893885394 583240679 /nfs/dbraw/zinc/24/06/79/583240679.db2.gz ZAUGBSYBCZUOAD-VIFPVBQESA-N 0 3 235.287 0.276 20 0 BCADHN NC(=O)C[C@H]1CCN(c2ccncc2CO)C1 ZINC000893885393 583240756 /nfs/dbraw/zinc/24/07/56/583240756.db2.gz ZAUGBSYBCZUOAD-SECBINFHSA-N 0 3 235.287 0.276 20 0 BCADHN CCN(C)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000893921730 583247983 /nfs/dbraw/zinc/24/79/83/583247983.db2.gz OYCRHMGEOIGVHL-NKWVEPMBSA-N 0 3 207.220 0.992 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2c2ncc(F)cn2)C1 ZINC000893933853 583251713 /nfs/dbraw/zinc/25/17/13/583251713.db2.gz DJRQLTVVOWCSQI-WPRPVWTQSA-N 0 3 222.267 0.756 20 0 BCADHN Cc1cc(N2CC[C@H]3CN(C)C[C@H]32)ncn1 ZINC000893933898 583252285 /nfs/dbraw/zinc/25/22/85/583252285.db2.gz DUBICGMDHIAFOD-WDEREUQCSA-N 0 3 218.304 0.925 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2c2nccnc2F)C1 ZINC000893937029 583253292 /nfs/dbraw/zinc/25/32/92/583253292.db2.gz YQDSAOCELBDCPJ-IUCAKERBSA-N 0 3 222.267 0.756 20 0 BCADHN Cc1nccc(N2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000893938442 583253582 /nfs/dbraw/zinc/25/35/82/583253582.db2.gz COTQOOAMZBNGSX-MNOVXSKESA-N 0 3 218.304 0.925 20 0 BCADHN Cc1ccnc(N2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000893941102 583254772 /nfs/dbraw/zinc/25/47/72/583254772.db2.gz QROPYIFFWIXSAU-GHMZBOCLSA-N 0 3 218.304 0.925 20 0 BCADHN CN1C[C@@H]2CCN(c3nccn4cnnc34)[C@@H]2C1 ZINC000893940760 583255096 /nfs/dbraw/zinc/25/50/96/583255096.db2.gz PSYZAOPVRARKPE-VHSXEESVSA-N 0 3 244.302 0.265 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@H](C)COC(C)=O ZINC000893964355 583261624 /nfs/dbraw/zinc/26/16/24/583261624.db2.gz VJWZTNROEREXPS-RKDXNWHRSA-N 0 3 230.308 0.394 20 0 BCADHN CO[C@@H](CNc1ccncc1CO)C1CC1 ZINC000893989299 583270508 /nfs/dbraw/zinc/27/05/08/583270508.db2.gz UKZWZXYGZMLTGY-LBPRGKRZSA-N 0 3 222.288 0.833 20 0 BCADHN Cc1n[nH]c(CN2CC[C@H](CO)C2)c1C ZINC000893987715 583270531 /nfs/dbraw/zinc/27/05/31/583270531.db2.gz ZXCMGFQQWQWADL-JTQLQIEISA-N 0 3 209.293 0.841 20 0 BCADHN Cc1[nH]nc(CN2CC[C@H](CO)C2)c1C ZINC000893987715 583270532 /nfs/dbraw/zinc/27/05/32/583270532.db2.gz ZXCMGFQQWQWADL-JTQLQIEISA-N 0 3 209.293 0.841 20 0 BCADHN CC(C)(CO)CCNc1ccncc1CO ZINC000894030133 583281447 /nfs/dbraw/zinc/28/14/47/583281447.db2.gz NWBNFWGKRAXUGG-UHFFFAOYSA-N 0 3 224.304 0.816 20 0 BCADHN COCC1(N(C)C(=O)[C@@H](C)N)CCC1 ZINC000877453506 583314147 /nfs/dbraw/zinc/31/41/47/583314147.db2.gz ADSZCLFYOZKENX-MRVPVSSYSA-N 0 3 200.282 0.361 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3ccnc(F)c3)[C@@H]2C1 ZINC000814146966 583342343 /nfs/dbraw/zinc/34/23/43/583342343.db2.gz VTHZWHKPMMZOJZ-WDEREUQCSA-N 0 3 249.289 0.997 20 0 BCADHN Cn1cccc1CN1CCC(CO)(CO)CC1 ZINC000877798113 583347513 /nfs/dbraw/zinc/34/75/13/583347513.db2.gz YCUDFZJRDVVDJZ-UHFFFAOYSA-N 0 3 238.331 0.592 20 0 BCADHN CNC(=O)CCCNCc1ocnc1C ZINC000894207291 583351455 /nfs/dbraw/zinc/35/14/55/583351455.db2.gz PUQOJEJFTCXUGR-UHFFFAOYSA-N 0 3 211.265 0.599 20 0 BCADHN C[C@@H](c1cccnc1)N(C)CCc1nnnn1C ZINC000878313238 583368168 /nfs/dbraw/zinc/36/81/68/583368168.db2.gz FFOBHJQHEVFGCQ-JTQLQIEISA-N 0 3 246.318 0.841 20 0 BCADHN C[C@H](c1cccnc1)N(C)CCc1nnnn1C ZINC000878313239 583368188 /nfs/dbraw/zinc/36/81/88/583368188.db2.gz FFOBHJQHEVFGCQ-SNVBAGLBSA-N 0 3 246.318 0.841 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NC[C@H]1COC(C)(C)O1 ZINC000894253055 583393480 /nfs/dbraw/zinc/39/34/80/583393480.db2.gz FQVYYLSETHYYGD-LPEHRKFASA-N 0 3 242.319 0.252 20 0 BCADHN OC[C@@H]1CN(C[C@@H]2CC3(CCC3)CO2)C[C@@H]1O ZINC000878704066 583394814 /nfs/dbraw/zinc/39/48/14/583394814.db2.gz WRUSOCWSOPYVOW-SRVKXCTJSA-N 0 3 241.331 0.231 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H](C)C(=O)NCCF ZINC000894257347 583395159 /nfs/dbraw/zinc/39/51/59/583395159.db2.gz PMEMUAAECSHFEU-JGVFFNPUSA-N 0 3 234.271 0.002 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CNCC2(O)CCC2)C1(F)F ZINC000894259881 583397667 /nfs/dbraw/zinc/39/76/67/583397667.db2.gz HQGFQMRUDFKOBH-SFYZADRCSA-N 0 3 249.257 0.545 20 0 BCADHN CC[S@@](=O)CCNCc1c(C)ccnc1N ZINC000894260851 583399452 /nfs/dbraw/zinc/39/94/52/583399452.db2.gz OTMAKDJIQSQKDR-MRXNPFEDSA-N 0 3 241.360 0.830 20 0 BCADHN CNc1ccc(NC(=O)[C@]2(F)CCNC2)cn1 ZINC000841852635 583404300 /nfs/dbraw/zinc/40/43/00/583404300.db2.gz NNPQGOPHHLLWGY-NSHDSACASA-N 0 3 238.266 0.763 20 0 BCADHN CCONC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000894275317 583405433 /nfs/dbraw/zinc/40/54/33/583405433.db2.gz JFSPEQVNFPHWPH-SECBINFHSA-N 0 3 215.297 0.674 20 0 BCADHN CCn1cc(CNC[C@@H](O)COC)c(C)n1 ZINC000894277476 583406260 /nfs/dbraw/zinc/40/62/60/583406260.db2.gz JDCFFWJEAJWNGS-LLVKDONJSA-N 0 3 227.308 0.308 20 0 BCADHN Cc1ccnc(N)c1CN[C@@H]1CCC(=O)N(C)C1 ZINC000894283116 583409959 /nfs/dbraw/zinc/40/99/59/583409959.db2.gz CGNQPPKTCQTXQS-SNVBAGLBSA-N 0 3 248.330 0.683 20 0 BCADHN COCCOC[C@H](C)NCc1cc(C)nn1C ZINC000894286780 583411242 /nfs/dbraw/zinc/41/12/42/583411242.db2.gz HAYAUXKUOTXACU-NSHDSACASA-N 0 3 241.335 0.870 20 0 BCADHN C[C@@H](O)CCCN1CCC([C@H](F)C(N)=O)CC1 ZINC000879044208 583418218 /nfs/dbraw/zinc/41/82/18/583418218.db2.gz QLIGDQPBVJKCHN-KOLCDFICSA-N 0 3 246.326 0.683 20 0 BCADHN CN(C)C1(CNC(=O)N2CC[C@H]2CO)CCC1 ZINC000894331002 583424968 /nfs/dbraw/zinc/42/49/68/583424968.db2.gz AZOLBPVYPCYMSV-JTQLQIEISA-N 0 3 241.335 0.247 20 0 BCADHN CNC(=O)NC[C@@H]1CCCCN1C[C@H](C)CO ZINC000879335306 583426178 /nfs/dbraw/zinc/42/61/78/583426178.db2.gz RQNKZBIVSYNBOJ-QWRGUYRKSA-N 0 3 243.351 0.398 20 0 BCADHN C[C@H](CCS(C)(=O)=O)N[C@@H]1COCC1(C)C ZINC000894332390 583426186 /nfs/dbraw/zinc/42/61/86/583426186.db2.gz PKLCIDLZZNKCGX-NXEZZACHSA-N 0 3 249.376 0.824 20 0 BCADHN COC(=O)[C@H]1[C@H](CNCCN2CCC2)C1(F)F ZINC000894355215 583434050 /nfs/dbraw/zinc/43/40/50/583434050.db2.gz UNHWLZVTVCLCFP-DTWKUNHWSA-N 0 3 248.273 0.336 20 0 BCADHN COC(=O)[C@H]1[C@@H](CNCCN2CCC2)C1(F)F ZINC000894355217 583434343 /nfs/dbraw/zinc/43/43/43/583434343.db2.gz UNHWLZVTVCLCFP-RKDXNWHRSA-N 0 3 248.273 0.336 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CNC[C@H](C)O)C1(F)F ZINC000894359393 583436551 /nfs/dbraw/zinc/43/65/51/583436551.db2.gz NKUWCPIUOZDWHC-XVMARJQXSA-N 0 3 223.219 0.011 20 0 BCADHN Cc1ccnc(N)c1CNC[C@@]1(O)CCOC1 ZINC000894359257 583437005 /nfs/dbraw/zinc/43/70/05/583437005.db2.gz NKJFZIVOPLKFDV-LBPRGKRZSA-N 0 3 237.303 0.213 20 0 BCADHN C[C@H]1C[C@H](C(=O)NCCOCCN(C)C)CO1 ZINC000439750429 583445393 /nfs/dbraw/zinc/44/53/93/583445393.db2.gz HKJIWHPIFKJSJJ-QWRGUYRKSA-N 0 3 244.335 0.106 20 0 BCADHN O=C1CCCN1CCNc1ccncc1CO ZINC000894391685 583446021 /nfs/dbraw/zinc/44/60/21/583446021.db2.gz RIWURFRKKHFBBR-UHFFFAOYSA-N 0 3 235.287 0.030 20 0 BCADHN COC1CCN(CCNCc2c[nH]cn2)CC1 ZINC000894395833 583447904 /nfs/dbraw/zinc/44/79/04/583447904.db2.gz GNVWTAKQOGIQJW-UHFFFAOYSA-N 0 3 238.335 0.610 20 0 BCADHN C[NH+](C)[C@H]1C[C@@H](CNc2cc(=O)[n-]cn2)C1 ZINC000894427774 583456664 /nfs/dbraw/zinc/45/66/64/583456664.db2.gz MQCKDQQZCHHHIY-DTORHVGOSA-N 0 3 222.292 0.934 20 0 BCADHN CN(CCC(N)=O)C[C@@H]1C[C@@]1(C)Br ZINC000894432761 583458516 /nfs/dbraw/zinc/45/85/16/583458516.db2.gz UJOLHYDLFQTLBR-IONNQARKSA-N 0 3 249.152 0.967 20 0 BCADHN CON(C)C(=O)CN1CC[C@@H]2[C@@H]1CCCN2C ZINC000880136055 583473242 /nfs/dbraw/zinc/47/32/42/583473242.db2.gz FABSNRBSPOLINY-MNOVXSKESA-N 0 3 241.335 0.175 20 0 BCADHN C[C@H]1CC2(CC(NCC(=O)NC3CC3)C2)CO1 ZINC000894501375 583474683 /nfs/dbraw/zinc/47/46/83/583474683.db2.gz TYHQHYYIMILSDH-FJJSSXBZSA-N 0 3 238.331 0.812 20 0 BCADHN Cc1cc(N)nc(NCCOC(=O)N(C)C)n1 ZINC000894540488 583480510 /nfs/dbraw/zinc/48/05/10/583480510.db2.gz JTBOSNJQNZFQBK-UHFFFAOYSA-N 0 3 239.279 0.477 20 0 BCADHN CN(CC1CN(C)C1)c1nccn2cncc12 ZINC000894541258 583480837 /nfs/dbraw/zinc/48/08/37/583480837.db2.gz WFYBBNOLJJQQAV-UHFFFAOYSA-N 0 3 231.303 0.727 20 0 BCADHN CN(CC1CN(C)C1)c1nccc2nc[nH]c21 ZINC000894540046 583481079 /nfs/dbraw/zinc/48/10/79/583481079.db2.gz CBQIDICXKHKROP-UHFFFAOYSA-N 0 3 231.303 0.956 20 0 BCADHN COC(=O)N1CC(C)(NC[C@H](OC)C2CC2)C1 ZINC000894543204 583482162 /nfs/dbraw/zinc/48/21/62/583482162.db2.gz WNRHSJURJGPOMA-JTQLQIEISA-N 0 3 242.319 0.842 20 0 BCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(C)(F)F ZINC000857765035 588910340 /nfs/dbraw/zinc/91/03/40/588910340.db2.gz INPAUBRAQHLHRR-RNFRBKRXSA-N 0 3 236.262 0.871 20 0 BCADHN COCC[C@H](COC)N[C@H](C)COC(C)=O ZINC000894551351 583482765 /nfs/dbraw/zinc/48/27/65/583482765.db2.gz RJKKRKJQHLLUPY-MWLCHTKSSA-N 0 3 233.308 0.579 20 0 BCADHN CCOCCCNC(=O)[C@H](C)N[C@@H](CC)CO ZINC000857329328 588905853 /nfs/dbraw/zinc/90/58/53/588905853.db2.gz LJZFPFIKBGPOMK-QWRGUYRKSA-N 0 3 246.351 0.278 20 0 BCADHN C[C@@H](O)CN(C)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894575551 583487001 /nfs/dbraw/zinc/48/70/01/583487001.db2.gz ONKIZNIIRRKYDT-VWYCJHECSA-N 0 3 247.310 0.933 20 0 BCADHN OCc1cnccc1N[C@H]1C[C@@H](O)C12CCC2 ZINC000894576788 583487607 /nfs/dbraw/zinc/48/76/07/583487607.db2.gz HLDMZEUPKKGLRX-NWDGAFQWSA-N 0 3 234.299 0.711 20 0 BCADHN C[C@H](CCO)N[C@@H](CC(N)=O)c1ccccc1 ZINC000894631680 583498308 /nfs/dbraw/zinc/49/83/08/583498308.db2.gz OAVASOAIOJKRRV-PWSUYJOCSA-N 0 3 236.315 0.964 20 0 BCADHN OCc1cnccc1NCCOCCF ZINC000894649876 583500122 /nfs/dbraw/zinc/50/01/22/583500122.db2.gz SCXKRFFTVPXZLY-UHFFFAOYSA-N 0 3 214.240 0.394 20 0 BCADHN COCC(COC)N[C@H](C)COC(C)=O ZINC000894734934 583514007 /nfs/dbraw/zinc/51/40/07/583514007.db2.gz MHDPPGOYAMTZLE-MRVPVSSYSA-N 0 3 219.281 0.189 20 0 BCADHN COc1cccnc1CNC1CCN(C=O)CC1 ZINC000894776695 583518958 /nfs/dbraw/zinc/51/89/58/583518958.db2.gz ANUWCKJYMAGNMD-UHFFFAOYSA-N 0 3 249.314 0.801 20 0 BCADHN C[C@@H]1CN(CC(N)=O)CCN1c1ccncc1 ZINC000880261970 583519014 /nfs/dbraw/zinc/51/90/14/583519014.db2.gz PLMMNUNGUBBUQM-SNVBAGLBSA-N 0 3 234.303 0.077 20 0 BCADHN COC(=O)[C@@H]1[C@H](CNC[C@@H](O)C2CC2)C1(F)F ZINC000894766300 583519323 /nfs/dbraw/zinc/51/93/23/583519323.db2.gz PBLTVNRDPQWABU-YIZRAAEISA-N 0 3 249.257 0.401 20 0 BCADHN OCc1cnccc1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000894779118 583519814 /nfs/dbraw/zinc/51/98/14/583519814.db2.gz WDWRZGPEUOYXAP-AAEUAGOBSA-N 0 3 234.299 0.975 20 0 BCADHN CC[C@@H](N[C@@H](C)COCCOC)C(=O)NC ZINC000894789507 583520052 /nfs/dbraw/zinc/52/00/52/583520052.db2.gz IJSJCDYPAVGPHP-VHSXEESVSA-N 0 3 232.324 0.152 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC000894782452 583521052 /nfs/dbraw/zinc/52/10/52/583521052.db2.gz LECJIUMEWLLKJK-PSASIEDQSA-N 0 3 240.303 0.196 20 0 BCADHN CO[C@H]1C[C@@H](CNc2ccncc2CO)C1 ZINC000894829098 583527081 /nfs/dbraw/zinc/52/70/81/583527081.db2.gz WRTMLCQBHUPRBR-JGZJWPJOSA-N 0 3 222.288 0.833 20 0 BCADHN COc1ccc(CNC[C@@H]2CCCNC2=O)o1 ZINC000894866830 583537969 /nfs/dbraw/zinc/53/79/69/583537969.db2.gz FLKBDQDDWPZVQF-VIFPVBQESA-N 0 3 238.287 0.904 20 0 BCADHN CCC[C@H](CCO)Nc1ccncc1CO ZINC000894866903 583538016 /nfs/dbraw/zinc/53/80/16/583538016.db2.gz CSIFEUQNEIXTFG-LLVKDONJSA-N 0 3 224.304 0.959 20 0 BCADHN COc1ccc(CNC[C@@H]2CCCNC2=O)nc1 ZINC000894867156 583538385 /nfs/dbraw/zinc/53/83/85/583538385.db2.gz KDQXNZAXKUQQFS-JTQLQIEISA-N 0 3 249.314 0.706 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H]1COCO1 ZINC000894875796 583541521 /nfs/dbraw/zinc/54/15/21/583541521.db2.gz HTQXUFDKLRNAQD-SNVBAGLBSA-N 0 3 211.265 0.191 20 0 BCADHN Cc1cnn(C)c1CNC[C@H]1COCO1 ZINC000894877897 583542466 /nfs/dbraw/zinc/54/24/66/583542466.db2.gz ABQLGLYTZQKZSC-VIFPVBQESA-N 0 3 211.265 0.191 20 0 BCADHN Cc1ccncc1CNC[C@@H]1COCO1 ZINC000894878888 583543186 /nfs/dbraw/zinc/54/31/86/583543186.db2.gz MNFOGPPLUNSQQB-LLVKDONJSA-N 0 3 208.261 0.853 20 0 BCADHN O=C1O[C@@H](CN2CC=C[C@H]2CO)CC12CC2 ZINC000880492819 583545516 /nfs/dbraw/zinc/54/55/16/583545516.db2.gz VSYTYILPKIODBR-VHSXEESVSA-N 0 3 223.272 0.315 20 0 BCADHN CCOc1cncc(CNC[C@H]2COCO2)c1 ZINC000894887744 583546751 /nfs/dbraw/zinc/54/67/51/583546751.db2.gz ILQPGYFXZBWMID-LBPRGKRZSA-N 0 3 238.287 0.943 20 0 BCADHN C[C@@H](Cc1cnn(C)c1)NCc1c[nH]cn1 ZINC000894911023 583554593 /nfs/dbraw/zinc/55/45/93/583554593.db2.gz CMTNFCCGBGHVES-VIFPVBQESA-N 0 3 219.292 0.864 20 0 BCADHN C[C@@H](Cc1cnn(C)c1)NCc1cnc[nH]1 ZINC000894911023 583554594 /nfs/dbraw/zinc/55/45/94/583554594.db2.gz CMTNFCCGBGHVES-VIFPVBQESA-N 0 3 219.292 0.864 20 0 BCADHN Cc1cc(N)nc(NCC[C@@H](O)C(F)F)n1 ZINC000894915496 583555638 /nfs/dbraw/zinc/55/56/38/583555638.db2.gz MWLHYYBIKQGAPF-ZCFIWIBFSA-N 0 3 232.234 0.795 20 0 BCADHN COC(=O)[C@H]1[C@H](CN2CC[C@@H](O)[C@H]2C)C1(F)F ZINC000894917937 583555700 /nfs/dbraw/zinc/55/57/00/583555700.db2.gz POYDVKOVKOULNB-BZNPZCIMSA-N 0 3 249.257 0.496 20 0 BCADHN C[C@@]1(O)C[C@H](N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000894955934 583558920 /nfs/dbraw/zinc/55/89/20/583558920.db2.gz TWRRECINWVQIFK-LPEHRKFASA-N 0 3 233.333 0.067 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H]2CC[C@H]2O)[C@H]1OC ZINC000895010105 583567602 /nfs/dbraw/zinc/56/76/02/583567602.db2.gz OUYOEFVMEBWKBT-ISUQUUIWSA-N 0 3 215.293 0.292 20 0 BCADHN C[N@@H+]1CC[C@@H]2CN(c3cc(=O)[n-]cn3)CC[C@H]21 ZINC000895023489 583569593 /nfs/dbraw/zinc/56/95/93/583569593.db2.gz WFZRYNXKOOETGB-NXEZZACHSA-N 0 3 234.303 0.713 20 0 BCADHN C[N@H+]1CC[C@@H]2CN(c3cc(=O)[n-]cn3)CC[C@H]21 ZINC000895023489 583569594 /nfs/dbraw/zinc/56/95/94/583569594.db2.gz WFZRYNXKOOETGB-NXEZZACHSA-N 0 3 234.303 0.713 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN[C@H]2C[C@@](C)(O)C2)C1(F)F ZINC000895024064 583569597 /nfs/dbraw/zinc/56/95/97/583569597.db2.gz IICINRGHWHYZNC-ODXREFDESA-N 0 3 249.257 0.544 20 0 BCADHN Cc1[nH]nc(CN(C[C@@H](O)CO)C(C)C)c1C ZINC000895035829 583570636 /nfs/dbraw/zinc/57/06/36/583570636.db2.gz BEKNNIQNFRDBNN-LLVKDONJSA-N 0 3 241.335 0.590 20 0 BCADHN CON(C)C(=O)CNCCC[C@H]1CCO1 ZINC000895045388 583571752 /nfs/dbraw/zinc/57/17/52/583571752.db2.gz IYVRVDREAUFCFV-VIFPVBQESA-N 0 3 216.281 0.165 20 0 BCADHN CC[C@H](C[C@@H](C)O)Nc1ccncc1CO ZINC000895045591 583571812 /nfs/dbraw/zinc/57/18/12/583571812.db2.gz ZDSIEDJHKYDDEW-MWLCHTKSSA-N 0 3 224.304 0.957 20 0 BCADHN CON(C)C(=O)CNCCC[C@@H]1CCO1 ZINC000895045387 583571980 /nfs/dbraw/zinc/57/19/80/583571980.db2.gz IYVRVDREAUFCFV-SECBINFHSA-N 0 3 216.281 0.165 20 0 BCADHN CON(C)C(=O)CN[C@H](C)CSCCF ZINC000895045285 583571987 /nfs/dbraw/zinc/57/19/87/583571987.db2.gz HEMCPLXTOOHKCI-MRVPVSSYSA-N 0 3 238.328 0.687 20 0 BCADHN CN1C[C@@H](N[C@@H]2CCCc3cn[nH]c32)CC1=O ZINC000857852435 588913010 /nfs/dbraw/zinc/91/30/10/588913010.db2.gz QYSYKMHDTSFJDP-VHSXEESVSA-N 0 3 234.303 0.607 20 0 BCADHN CCC[C@H]1CN(c2nccn3nnnc23)CCN1 ZINC000895057717 583575250 /nfs/dbraw/zinc/57/52/50/583575250.db2.gz HMJUIEPBWDKVRE-VIFPVBQESA-N 0 3 247.306 0.098 20 0 BCADHN CN1C[C@H](N[C@@H]2CCCc3c[nH]nc32)CCC1=O ZINC000857855273 588913113 /nfs/dbraw/zinc/91/31/13/588913113.db2.gz PZMYUJWOHXAOOU-GHMZBOCLSA-N 0 3 248.330 0.998 20 0 BCADHN CCC[C@H]1CN(c2nccn3cnnc23)CCN1 ZINC000895059659 583576262 /nfs/dbraw/zinc/57/62/62/583576262.db2.gz VGQNQQXBTGZYRZ-JTQLQIEISA-N 0 3 246.318 0.703 20 0 BCADHN O=C1NCCC[C@@H]1N[C@@H]1CCCc2cn[nH]c21 ZINC000857852365 588913153 /nfs/dbraw/zinc/91/31/53/588913153.db2.gz ZVFRLOXTVARQIZ-ZJUUUORDSA-N 0 3 234.303 0.655 20 0 BCADHN CN1C[C@@H](N[C@@H]2CCCc3c[nH]nc32)CCC1=O ZINC000857855276 588913265 /nfs/dbraw/zinc/91/32/65/588913265.db2.gz PZMYUJWOHXAOOU-WDEREUQCSA-N 0 3 248.330 0.998 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN[C@@H]2CO[C@@H](C)C2)C1(F)F ZINC000895082223 583583376 /nfs/dbraw/zinc/58/33/76/583583376.db2.gz DHWJWAUUUKNZNM-JBDRJPRFSA-N 0 3 249.257 0.808 20 0 BCADHN C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(=O)[n-]cn1 ZINC000895092652 583587065 /nfs/dbraw/zinc/58/70/65/583587065.db2.gz VPMVQOLCGUEUBL-NXEZZACHSA-N 0 3 234.303 0.855 20 0 BCADHN C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(=O)[n-]cn1 ZINC000895092652 583587068 /nfs/dbraw/zinc/58/70/68/583587068.db2.gz VPMVQOLCGUEUBL-NXEZZACHSA-N 0 3 234.303 0.855 20 0 BCADHN Cc1cc([C@H](C)NCC(C)(C)C(N)=O)n(C)n1 ZINC000793544053 583589550 /nfs/dbraw/zinc/58/95/50/583589550.db2.gz CVTRWTVJCZGCKJ-VIFPVBQESA-N 0 3 238.335 0.891 20 0 BCADHN COCC[C@@H](CO)N[C@H]1CCCc2c[nH]nc21 ZINC000857865923 588915210 /nfs/dbraw/zinc/91/52/10/588915210.db2.gz QESZLMTWNOCSNX-QWRGUYRKSA-N 0 3 239.319 0.774 20 0 BCADHN Cc1ccnc(N)c1CN[C@H](CO)CCF ZINC000895149122 583605547 /nfs/dbraw/zinc/60/55/47/583605547.db2.gz UIQDPJGUGWWERT-VIFPVBQESA-N 0 3 227.283 0.782 20 0 BCADHN OCCOCCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857867152 588915970 /nfs/dbraw/zinc/91/59/70/588915970.db2.gz WVPHBWGQBAQAOD-LLVKDONJSA-N 0 3 239.319 0.776 20 0 BCADHN COC[C@@H](C)N[C@H]1CCCCNC1=O ZINC000020042102 583612297 /nfs/dbraw/zinc/61/22/97/583612297.db2.gz FOMNVKSHTLJFLE-BDAKNGLRSA-N 0 3 200.282 0.280 20 0 BCADHN C[C@H](N[C@H]1CSC[C@@H]1C)c1n[nH]c(=O)n1C ZINC000895177762 583616215 /nfs/dbraw/zinc/61/62/15/583616215.db2.gz XJCBMCWCEZNMRS-FXQIFTODSA-N 0 3 242.348 0.923 20 0 BCADHN C[C@H](N[C@@H](C)[C@@H]1CCOC1)C1N=NC(=O)N1C ZINC000895177748 583616379 /nfs/dbraw/zinc/61/63/79/583616379.db2.gz XHTRRYCLQXJHAC-XHNCKOQMSA-N 0 3 240.307 0.596 20 0 BCADHN COCC[C@@H](C)N[C@@H](C)C1N=NC(=O)N1C ZINC000895178196 583616847 /nfs/dbraw/zinc/61/68/47/583616847.db2.gz UQHCDVBTBPJMPL-SFYZADRCSA-N 0 3 228.296 0.596 20 0 BCADHN CCO[C@@H]1C[C@@H](NC[C@@](C)(CO)OC)[C@H]1OC ZINC000895199032 583623699 /nfs/dbraw/zinc/62/36/99/583623699.db2.gz DICPMFFUIQAHCU-KKOKHZNYSA-N 0 3 247.335 0.166 20 0 BCADHN Cn1ccc(C(=O)N[C@H]2CNCCC2(F)F)n1 ZINC000857772639 588910959 /nfs/dbraw/zinc/91/09/59/588910959.db2.gz PEAGRIWODWXOTM-QMMMGPOBSA-N 0 3 244.245 0.147 20 0 BCADHN CN(CCO)CCNc1cc(C(F)F)ncn1 ZINC000895243233 583631384 /nfs/dbraw/zinc/63/13/84/583631384.db2.gz YERVIXVKLPYJAF-UHFFFAOYSA-N 0 3 246.261 0.750 20 0 BCADHN Cc1cnc(C(=O)N[C@@H]2CNCCC2(F)F)o1 ZINC000857768454 588911051 /nfs/dbraw/zinc/91/10/51/588911051.db2.gz RBWCRUPYILEWJR-SSDOTTSWSA-N 0 3 245.229 0.710 20 0 BCADHN Cc1cc(C(F)(F)F)nc(N2CC=C(N)N2)n1 ZINC000895249856 583632008 /nfs/dbraw/zinc/63/20/08/583632008.db2.gz WJONUCKMWHSCFL-UHFFFAOYSA-N 0 3 245.208 0.929 20 0 BCADHN CSc1cnc(N2CC=C(N)N2)nc1 ZINC000895248444 583632297 /nfs/dbraw/zinc/63/22/97/583632297.db2.gz LOTUCRNLIVUEBG-UHFFFAOYSA-N 0 3 209.278 0.323 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@H]1CC(C)=NO1 ZINC000895302694 583644807 /nfs/dbraw/zinc/64/48/07/583644807.db2.gz UTSGJNBGKSGSBS-GWOFURMSSA-N 0 3 240.303 0.938 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CNC2CSC2)C1(F)F ZINC000895319469 583649342 /nfs/dbraw/zinc/64/93/42/583649342.db2.gz XXIDMBBHNVOKCT-RQJHMYQMSA-N 0 3 237.271 0.746 20 0 BCADHN O=C(NC[C@@H]1CCC=CO1)N1CCCNCC1 ZINC000841884869 583647782 /nfs/dbraw/zinc/64/77/82/583647782.db2.gz RMIJBGUQIKFFOU-NSHDSACASA-N 0 3 239.319 0.684 20 0 BCADHN 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ZINC000895336139 583653340 /nfs/dbraw/zinc/65/33/40/583653340.db2.gz FDZKPNLKTZZGMP-HMDXOVGESA-N 0 3 203.282 0.176 20 0 BCADHN OC/C=C/CN[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895339376 583653520 /nfs/dbraw/zinc/65/35/20/583653520.db2.gz MTOYWRWBBUYERS-COUIAZAYSA-N 0 3 245.294 0.758 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCc3cnc(N)nc3C2)C1 ZINC000857923719 588924524 /nfs/dbraw/zinc/92/45/24/588924524.db2.gz KYFNAHDYHPLSML-WDEREUQCSA-N 0 3 248.330 0.984 20 0 BCADHN CN(C)CCNC(=S)N(C)[C@@H]1CCCOC1 ZINC000795107720 583658043 /nfs/dbraw/zinc/65/80/43/583658043.db2.gz KJKJSPWBIWJOOY-SNVBAGLBSA-N 0 3 245.392 0.533 20 0 BCADHN CC(=O)OC[C@@H](C)NCCO[C@@H]1CC1(F)F ZINC000895356010 583658900 /nfs/dbraw/zinc/65/89/00/583658900.db2.gz CLHOLPQDOGMUKG-VXNVDRBHSA-N 0 3 237.246 0.952 20 0 BCADHN O=c1cc(CN2CCC(O)(CO)CC2)cc[nH]1 ZINC000895366809 583660369 /nfs/dbraw/zinc/66/03/69/583660369.db2.gz NZZFVCZFEHXAFH-UHFFFAOYSA-N 0 3 238.287 0.106 20 0 BCADHN O=c1cc(CN2CC[C@@]3(O)C[C@H]3C2)cc[nH]1 ZINC000895388075 583663527 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583680360 /nfs/dbraw/zinc/68/03/60/583680360.db2.gz PLCUTUPFACVFOH-SECBINFHSA-N 0 3 249.318 0.648 20 0 BCADHN CCCONC(=O)N1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000895516841 583683741 /nfs/dbraw/zinc/68/37/41/583683741.db2.gz WIPUQXQJNHROAA-CMPLNLGQSA-N 0 3 241.335 0.921 20 0 BCADHN CN(Cc1cc[nH]c(=O)c1)[C@@]1(CO)CCOC1 ZINC000895536855 583687356 /nfs/dbraw/zinc/68/73/56/583687356.db2.gz KVFZOAAXJBKKIL-GFCCVEGCSA-N 0 3 238.287 0.370 20 0 BCADHN CON1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000147669917 583690831 /nfs/dbraw/zinc/69/08/31/583690831.db2.gz BOIAXIYKGSKYET-UHFFFAOYSA-N 0 3 241.335 0.034 20 0 BCADHN COC(=O)C1=CC[C@@H](N[C@@H](C)COC(C)=O)C1 ZINC000895571123 583692556 /nfs/dbraw/zinc/69/25/56/583692556.db2.gz BWMNQPPONYPZAY-GZMMTYOYSA-N 0 3 241.287 0.789 20 0 BCADHN Cn1ncc(CN[C@H]2C[C@H](C(N)=O)C2)c1C1CC1 ZINC000895592867 583695511 /nfs/dbraw/zinc/69/55/11/583695511.db2.gz XORGLDJXJHAMNW-HOMQSWHASA-N 0 3 248.330 0.651 20 0 BCADHN CCc1cc(C(=O)NC[C@H](C)N(C)C)no1 ZINC000895678500 583704467 /nfs/dbraw/zinc/70/44/67/583704467.db2.gz BFUSVBCFPXBYDS-QMMMGPOBSA-N 0 3 225.292 0.917 20 0 BCADHN COCC(C)(C)CN1CC[C@](O)(C(=O)OC)C1 ZINC000895702918 583709739 /nfs/dbraw/zinc/70/97/39/583709739.db2.gz HBFORRVVTTYPKR-GFCCVEGCSA-N 0 3 245.319 0.269 20 0 BCADHN COC(=O)[C@]1(O)CCN(Cc2ccn(C)c2)C1 ZINC000895702368 583709870 /nfs/dbraw/zinc/70/98/70/583709870.db2.gz AFHHXHMPFFHUAW-LBPRGKRZSA-N 0 3 238.287 0.135 20 0 BCADHN CO[C@@H](C)CNC(=O)NCCN1CCC[C@@H]1C ZINC000895741810 583714179 /nfs/dbraw/zinc/71/41/79/583714179.db2.gz KEDBEWNLEIKEAA-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN CO[C@H](C)CNC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000895745658 583715945 /nfs/dbraw/zinc/71/59/45/583715945.db2.gz GQPXQEKGQUCSFZ-MXWKQRLJSA-N 0 3 241.335 0.367 20 0 BCADHN CO[C@H](C)CNC(=O)NCCN1CC[C@@H](C)C1 ZINC000895747871 583716427 /nfs/dbraw/zinc/71/64/27/583716427.db2.gz ZIIMOKHDIQDYCS-GHMZBOCLSA-N 0 3 243.351 0.662 20 0 BCADHN C[C@H]1[C@H](Nc2cc(=O)n(C)cn2)CCN1C ZINC000895738083 583717663 /nfs/dbraw/zinc/71/76/63/583717663.db2.gz SWDPVBMSTRTWKO-DTWKUNHWSA-N 0 3 222.292 0.285 20 0 BCADHN C[C@H]1[C@H](Nc2cncc3ncnn32)CCN1C ZINC000895735949 583718224 /nfs/dbraw/zinc/71/82/24/583718224.db2.gz IXHKLCBZBSNERZ-DTWKUNHWSA-N 0 3 232.291 0.629 20 0 BCADHN Cc1nnc2ccc(N[C@H]3CCN(C)[C@H]3C)nn12 ZINC000895738588 583719481 /nfs/dbraw/zinc/71/94/81/583719481.db2.gz MNHIGSGIKGOQGH-WPRPVWTQSA-N 0 3 246.318 0.937 20 0 BCADHN COC[C@@H](C)CN1CCCn2nncc2C1 ZINC000895756573 583720640 /nfs/dbraw/zinc/72/06/40/583720640.db2.gz XYCSPZSWUARFOZ-JTQLQIEISA-N 0 3 224.308 0.766 20 0 BCADHN COC(OC)[C@@H](C)N[C@@H]1CCCNC(=O)C1 ZINC000895790626 583728115 /nfs/dbraw/zinc/72/81/15/583728115.db2.gz UMTRPDMPAZBNDU-RKDXNWHRSA-N 0 3 230.308 0.252 20 0 BCADHN CN1CCC[C@H]1C(=O)NCCNc1ccncc1 ZINC000895799568 583731103 /nfs/dbraw/zinc/73/11/03/583731103.db2.gz UNVBOWWDJZDVEU-LBPRGKRZSA-N 0 3 248.330 0.126 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)NCCN(C)C2CC2)C1 ZINC000895876138 583737912 /nfs/dbraw/zinc/73/79/12/583737912.db2.gz UPWPJQHFVVUYHX-GXSJLCMTSA-N 0 3 226.320 0.622 20 0 BCADHN CCN1CCC[C@@H](Nc2ccnc(CO)c2)C1=O ZINC000895899632 583740751 /nfs/dbraw/zinc/74/07/51/583740751.db2.gz PKGIBYRMQJKYCE-GFCCVEGCSA-N 0 3 249.314 0.997 20 0 BCADHN CN(C)[C@@H]1CCc2ccccc2N(C(=O)CO)C1 ZINC000857969461 588925964 /nfs/dbraw/zinc/92/59/64/588925964.db2.gz YRVKHDUJABVOEY-GFCCVEGCSA-N 0 3 248.326 0.888 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1cccc[n+]1[O-] ZINC000727759075 583765474 /nfs/dbraw/zinc/76/54/74/583765474.db2.gz PQXBSPCBYYNWEP-LLVKDONJSA-N 0 3 249.314 0.486 20 0 BCADHN COCCN(C)CCNC(=O)[C@H]1C[C@H](C)CO1 ZINC000896096996 583770289 /nfs/dbraw/zinc/77/02/89/583770289.db2.gz NOSPVJQQSPGDMJ-WDEREUQCSA-N 0 3 244.335 0.106 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2CCC[C@H]2CN(C)C)C1 ZINC000896112208 583771466 /nfs/dbraw/zinc/77/14/66/583771466.db2.gz URPGAJXQYNQWFW-SRVKXCTJSA-N 0 3 240.347 0.964 20 0 BCADHN CCO[C@H](CNc1cccnn1)CN(C)C ZINC000896115268 583772439 /nfs/dbraw/zinc/77/24/39/583772439.db2.gz JOKNOUWQJWPRFD-SNVBAGLBSA-N 0 3 224.308 0.855 20 0 BCADHN CCO[C@@H](CNc1nccnc1F)CN(C)C ZINC000896111714 583772834 /nfs/dbraw/zinc/77/28/34/583772834.db2.gz GGDZVUCLVYNUHG-VIFPVBQESA-N 0 3 242.298 0.994 20 0 BCADHN COC(=O)[C@@H]1CC[C@H](NCc2cncnc2)C1 ZINC000896125396 583773552 /nfs/dbraw/zinc/77/35/52/583773552.db2.gz PHHRWDAXLMIRTJ-MNOVXSKESA-N 0 3 235.287 0.908 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCn2cncc21 ZINC000857986093 588929059 /nfs/dbraw/zinc/92/90/59/588929059.db2.gz LQDGXQOUDCPDNJ-SNVBAGLBSA-N 0 3 236.319 0.786 20 0 BCADHN C/C=C/C(=O)NC[C@@H]1CCCN1CCOC ZINC000727865173 583788219 /nfs/dbraw/zinc/78/82/19/583788219.db2.gz KBIPRQFZLLYWOI-TZNOJPMFSA-N 0 3 226.320 0.790 20 0 BCADHN C/C=C/C(=O)NC[C@H]1CCCN1CCOC ZINC000727865169 583788233 /nfs/dbraw/zinc/78/82/33/583788233.db2.gz KBIPRQFZLLYWOI-JOAKQRRISA-N 0 3 226.320 0.790 20 0 BCADHN Cc1ccnc(N)c1CNC1CC(CC(N)=O)C1 ZINC000896407372 583800416 /nfs/dbraw/zinc/80/04/16/583800416.db2.gz 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ZINC000841909294 583880599 /nfs/dbraw/zinc/88/05/99/583880599.db2.gz BEFGBZDUSLZPOM-UHFFFAOYSA-N 0 3 213.281 0.333 20 0 BCADHN C[C@@H](O)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000897175296 583888098 /nfs/dbraw/zinc/88/80/98/583888098.db2.gz QWZXHXLZZRZIHI-UTUOFQBUSA-N 0 3 240.347 0.843 20 0 BCADHN OCCN1CCC[C@@H]2[C@H]1CCN2c1ncccn1 ZINC000897220887 583897112 /nfs/dbraw/zinc/89/71/12/583897112.db2.gz ZHIQLAHQVXULTF-VXGBXAGGSA-N 0 3 248.330 0.512 20 0 BCADHN NC(=O)[C@H]1C[C@H](NCc2cnn3ccccc23)C1 ZINC000858249009 588940559 /nfs/dbraw/zinc/94/05/59/588940559.db2.gz HEPVYKVUWXMCQA-HOMQSWHASA-N 0 3 244.298 0.688 20 0 BCADHN CC/C=C(/F)C(=O)NC[C@@](C)(O)CN(C)C ZINC000866921072 583911022 /nfs/dbraw/zinc/91/10/22/583911022.db2.gz KCUJKCVTNNHTRO-OALRPVAKSA-N 0 3 232.299 0.679 20 0 BCADHN Cn1nccc1[C@H](O)CNC[C@@H]1CCC=CO1 ZINC000897302533 583912335 /nfs/dbraw/zinc/91/23/35/583912335.db2.gz PPCWZKUSLVZFRY-CMPLNLGQSA-N 0 3 237.303 0.736 20 0 BCADHN CS[C@@H]1CC[C@H]1NC[C@@H](O)c1ccnn1C ZINC000897302587 583912401 /nfs/dbraw/zinc/91/24/01/583912401.db2.gz RFNZGDYTEWGKCE-FBIMIBRVSA-N 0 3 241.360 0.937 20 0 BCADHN Cn1ncc(CNCC2COC2)c1Cl ZINC000858299041 588942974 /nfs/dbraw/zinc/94/29/74/588942974.db2.gz YRBSHYIWZNLEFA-UHFFFAOYSA-N 0 3 215.684 0.810 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1[C@@H]1CCC(=O)NC1=O ZINC000788021365 583934902 /nfs/dbraw/zinc/93/49/02/583934902.db2.gz OIBAOWFHVSHXHA-LPEHRKFASA-N 0 3 240.303 0.027 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1CCCSC1 ZINC000858319823 588945027 /nfs/dbraw/zinc/94/50/27/588945027.db2.gz RNIIZEGKLDEJQG-IUCAKERBSA-N 0 3 232.349 0.880 20 0 BCADHN O=C(NCCNc1ccnc(CO)c1)C1CC1 ZINC000858319243 588945078 /nfs/dbraw/zinc/94/50/78/588945078.db2.gz YVKQPWTWSFVZBC-UHFFFAOYSA-N 0 3 235.287 0.512 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1CO[C@@H](C)C1 ZINC000858319201 588945160 /nfs/dbraw/zinc/94/51/60/588945160.db2.gz DPRZCXOCGUHHFA-XHNCKOQMSA-N 0 3 216.281 0.162 20 0 BCADHN CON(C)C(=O)[C@@H](C)NCc1[nH]ncc1C ZINC000858322900 588945362 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BCADHN Cc1cc(C(=O)NCCN(C)CCO)ccn1 ZINC000899737685 584233155 /nfs/dbraw/zinc/23/31/55/584233155.db2.gz MKUMBGHVQOBKSF-UHFFFAOYSA-N 0 3 237.303 0.044 20 0 BCADHN CCO[C@H](C(=O)NCCN(C)CCO)C(C)C ZINC000899741336 584233901 /nfs/dbraw/zinc/23/39/01/584233901.db2.gz QUXKJGGEYSDKDW-NSHDSACASA-N 0 3 246.351 0.088 20 0 BCADHN Cc1cocc1C(=O)NCCN(C)CCO ZINC000899740903 584233907 /nfs/dbraw/zinc/23/39/07/584233907.db2.gz JRKFSRSIXBRFMG-UHFFFAOYSA-N 0 3 226.276 0.242 20 0 BCADHN CN(CCO)CCNC(=O)[C@]1(C)CC1(F)F ZINC000899741067 584234116 /nfs/dbraw/zinc/23/41/16/584234116.db2.gz PWVUJHHMIHSUQB-VIFPVBQESA-N 0 3 236.262 0.072 20 0 BCADHN CN(CCO)CCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000899741593 584234653 /nfs/dbraw/zinc/23/46/53/584234653.db2.gz ZZFSDHRTTWANTJ-NWDGAFQWSA-N 0 3 240.347 0.463 20 0 BCADHN CN(CCO)CCNC(=O)[C@@H]1CCC1(C)C ZINC000899741379 584234721 /nfs/dbraw/zinc/23/47/21/584234721.db2.gz VIUSBOXBSKJEJR-JTQLQIEISA-N 0 3 228.336 0.463 20 0 BCADHN CC(C)CO[C@@H](C)C(=O)NCCN(C)CCO ZINC000899732965 584235187 /nfs/dbraw/zinc/23/51/87/584235187.db2.gz PQFULPGOGAPBIE-NSHDSACASA-N 0 3 246.351 0.088 20 0 BCADHN CN(CCO)CCNC(=O)CCC1CCC1 ZINC000899734392 584235758 /nfs/dbraw/zinc/23/57/58/584235758.db2.gz DISBJVXIQZXKLK-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN CN(CCCF)C(=O)[C@H]1CCCN1C ZINC000899815554 584239314 /nfs/dbraw/zinc/23/93/14/584239314.db2.gz VEASHQKVOLZDOS-SECBINFHSA-N 0 3 202.273 0.899 20 0 BCADHN CCn1cc(CN2CC[C@H]3CN(C)C[C@@H]32)nn1 ZINC000899866175 584245328 /nfs/dbraw/zinc/24/53/28/584245328.db2.gz XIFTTZWZWWUBAI-JQWIXIFHSA-N 0 3 235.335 0.434 20 0 BCADHN CCC1(C)CN(C[C@@H](O)C2(O)CCOCC2)C1 ZINC000899884912 584246547 /nfs/dbraw/zinc/24/65/47/584246547.db2.gz BUASSJZUBBUISY-LLVKDONJSA-N 0 3 243.347 0.621 20 0 BCADHN COCCC1(C)CN(C[C@H](O)C2(O)CCC2)C1 ZINC000899885134 584246837 /nfs/dbraw/zinc/24/68/37/584246837.db2.gz HNKKELCMCRNQAF-NSHDSACASA-N 0 3 243.347 0.621 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)N(C)C1CCN(C)CC1 ZINC000899908618 584249803 /nfs/dbraw/zinc/24/98/03/584249803.db2.gz CDCWADUHEHMHLV-JQWIXIFHSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@H](C)NC(=O)c1ccnn1CCN(C)C ZINC000899903828 584250567 /nfs/dbraw/zinc/25/05/67/584250567.db2.gz CQFZXQZNUGRPNH-SNVBAGLBSA-N 0 3 238.335 0.973 20 0 BCADHN CC[C@H](C)NC(=O)C[C@]1(O)CCCN(C)C1 ZINC000899904144 584250889 /nfs/dbraw/zinc/25/08/89/584250889.db2.gz HCYMYWADIUCQBO-CMPLNLGQSA-N 0 3 228.336 0.748 20 0 BCADHN CN1CCC[C@](O)(CC(=O)N2CCCCC2)C1 ZINC000899904502 584251467 /nfs/dbraw/zinc/25/14/67/584251467.db2.gz KRDQUEDWZYNSMQ-ZDUSSCGKSA-N 0 3 240.347 0.846 20 0 BCADHN CCCCNC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000899917372 584254754 /nfs/dbraw/zinc/25/47/54/584254754.db2.gz HVAXXOQHJIGDGB-LBPRGKRZSA-N 0 3 228.336 0.750 20 0 BCADHN COC[C@@H](O)CN1CC(Cc2ccoc2)C1 ZINC000899916322 584255062 /nfs/dbraw/zinc/25/50/62/584255062.db2.gz HUKUYCCACJIPIG-LBPRGKRZSA-N 0 3 225.288 0.761 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CC[C@H]1C ZINC000858587188 588969492 /nfs/dbraw/zinc/96/94/92/588969492.db2.gz JTZSXUNKPIAMGM-HLTSFMKQSA-N 0 3 200.282 0.783 20 0 BCADHN CC(C)N1CCN(CCCC(N)=O)CC1 ZINC000899943248 584259201 /nfs/dbraw/zinc/25/92/01/584259201.db2.gz OXAPZSUYYWMIJQ-UHFFFAOYSA-N 0 3 213.325 0.278 20 0 BCADHN COCC[C@@H](C)N[C@H](C)C(=O)N(C)OC ZINC000858587656 588969776 /nfs/dbraw/zinc/96/97/76/588969776.db2.gz UMCGBDZUVBNZFP-RKDXNWHRSA-N 0 3 218.297 0.409 20 0 BCADHN CC[C@@H](COC)N[C@H](C)C(=O)N(C)OC ZINC000858587826 588969907 /nfs/dbraw/zinc/96/99/07/588969907.db2.gz WAUURNMEANLYCX-BDAKNGLRSA-N 0 3 218.297 0.409 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)NC1CCN(C)CC1 ZINC000900002263 584263866 /nfs/dbraw/zinc/26/38/66/584263866.db2.gz OWTRMQQYDBXPOW-KOLCDFICSA-N 0 3 228.336 0.604 20 0 BCADHN CCN1CCC(NC(=O)Cc2c[nH]cn2)CC1 ZINC000900009995 584265238 /nfs/dbraw/zinc/26/52/38/584265238.db2.gz RPUSFRBAEPPFPR-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN C/C=C/[C@H](O)C(=O)NC[C@H]1CCCN1CC ZINC000900010192 584265625 /nfs/dbraw/zinc/26/56/25/584265625.db2.gz UPFYSRDVFWILOL-MFFLNWJUSA-N 0 3 226.320 0.524 20 0 BCADHN Cc1ncc(CC(=O)NCCN2CCCC2)o1 ZINC000900011661 584266221 /nfs/dbraw/zinc/26/62/21/584266221.db2.gz YLYMQZZRUGHXRA-UHFFFAOYSA-N 0 3 237.303 0.738 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)NCCN2CCCC2)C1 ZINC000900011628 584266314 /nfs/dbraw/zinc/26/63/14/584266314.db2.gz XHBZPYLXCZRDCU-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN NC(=O)[C@H]1C[C@@H](Nc2ccnc(CO)c2)C1 ZINC000858605647 588970539 /nfs/dbraw/zinc/97/05/39/588970539.db2.gz WGYDHYBDQIJZNW-OTSSQURYSA-N 0 3 221.260 0.250 20 0 BCADHN CN(C)CCn1nccc1C(=O)N(C)C ZINC000900101519 584271377 /nfs/dbraw/zinc/27/13/77/584271377.db2.gz VFCZCFYDRQZQFO-UHFFFAOYSA-N 0 3 210.281 0.147 20 0 BCADHN C[C@H](CCO)N[C@H]1CCN(C2CCC2)C1=O ZINC000858603248 588970650 /nfs/dbraw/zinc/97/06/50/588970650.db2.gz VGUJRAWEDHVCQQ-KOLCDFICSA-N 0 3 226.320 0.500 20 0 BCADHN CCN(C)C(=O)c1ccnn1CCN(C)C ZINC000900143989 584277354 /nfs/dbraw/zinc/27/73/54/584277354.db2.gz ROXTVXLDHJOQTC-UHFFFAOYSA-N 0 3 224.308 0.537 20 0 BCADHN C[C@@H](CNC(=O)CNc1ccccn1)N(C)C ZINC000900163407 584281516 /nfs/dbraw/zinc/28/15/16/584281516.db2.gz OZZFRUXRKQXVPG-JTQLQIEISA-N 0 3 236.319 0.560 20 0 BCADHN CN(Cc1cnn(C)c1)C(=O)C12CCN(CC1)C2 ZINC000900169323 584281739 /nfs/dbraw/zinc/28/17/39/584281739.db2.gz SVDKCNLSFSCORR-UHFFFAOYSA-N 0 3 248.330 0.474 20 0 BCADHN O=C(Cc1c[nH]cn1)NCCN1CCCCC1 ZINC000900207300 584286162 /nfs/dbraw/zinc/28/61/62/584286162.db2.gz UCRLXLRLKNKNAE-UHFFFAOYSA-N 0 3 236.319 0.554 20 0 BCADHN C[C@@H]1CN(c2cnc(F)cn2)C[C@H](C)N1 ZINC000858631294 588972173 /nfs/dbraw/zinc/97/21/73/588972173.db2.gz CNMNYCZLQBIXIB-OCAPTIKFSA-N 0 3 210.256 0.802 20 0 BCADHN CC(=O)N1CC[C@@H](Nc2ccnc(CO)c2)C1 ZINC000858637530 588972289 /nfs/dbraw/zinc/97/22/89/588972289.db2.gz KINZJTOUIFHLCX-LLVKDONJSA-N 0 3 235.287 0.607 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000900372497 584298211 /nfs/dbraw/zinc/29/82/11/584298211.db2.gz SVUPAUARITWCTE-UMNHJUIQSA-N 0 3 240.347 0.746 20 0 BCADHN C/C=C\[C@H](O)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000900371919 584298442 /nfs/dbraw/zinc/29/84/42/584298442.db2.gz KVNQKYHFBNRFIS-WUIHGDLDSA-N 0 3 224.304 0.276 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000900523198 584318297 /nfs/dbraw/zinc/31/82/97/584318297.db2.gz NRCWRLXENRKVBU-TUAOUCFPSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000900525866 584319233 /nfs/dbraw/zinc/31/92/33/584319233.db2.gz AJFJRRSEXFIKHO-SRVKXCTJSA-N 0 3 242.363 0.946 20 0 BCADHN C/C=C/[C@H](O)C(=O)N(C)C1CCN(CC)CC1 ZINC000900518218 584320650 /nfs/dbraw/zinc/32/06/50/584320650.db2.gz OHYQTXQRWMBISO-FUEXJSSKSA-N 0 3 240.347 0.866 20 0 BCADHN C/C=C\[C@H](O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000900520202 584321107 /nfs/dbraw/zinc/32/11/07/584321107.db2.gz OIQWZBACKINAQZ-VHGJUTQGSA-N 0 3 238.331 0.620 20 0 BCADHN C/C=C/[C@H](O)C(=O)NCCN(CC)C1CC1 ZINC000900552336 584321804 /nfs/dbraw/zinc/32/18/04/584321804.db2.gz HEYJGHLYNRINRE-TZNOJPMFSA-N 0 3 226.320 0.524 20 0 BCADHN C[C@@H]1CN(C(=O)C23CCN(CC2)C3)CCCO1 ZINC000900528852 584322725 /nfs/dbraw/zinc/32/27/25/584322725.db2.gz SSMLRFFJNZBWHQ-LLVKDONJSA-N 0 3 238.331 0.720 20 0 BCADHN C/C=C/[C@H](O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000900531320 584322824 /nfs/dbraw/zinc/32/28/24/584322824.db2.gz YXAGOFPOZUEPKE-LJRGRFNSSA-N 0 3 226.320 0.476 20 0 BCADHN COCCN1CCC[C@@H]1CNC(=O)CCF ZINC000900580074 584327711 /nfs/dbraw/zinc/32/77/11/584327711.db2.gz UFJVXKQWVNIZGI-SNVBAGLBSA-N 0 3 232.299 0.573 20 0 BCADHN COCCN1CCC[C@H]1CNC(=O)CCF ZINC000900580072 584327723 /nfs/dbraw/zinc/32/77/23/584327723.db2.gz UFJVXKQWVNIZGI-JTQLQIEISA-N 0 3 232.299 0.573 20 0 BCADHN CCN1CCC[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000900588684 584328856 /nfs/dbraw/zinc/32/88/56/584328856.db2.gz GESPZLLNOXTDHQ-JTQLQIEISA-N 0 3 236.319 0.553 20 0 BCADHN CN1CCC[C@H](NC(=O)CC2COC2)C1 ZINC000900592122 584329320 /nfs/dbraw/zinc/32/93/20/584329320.db2.gz VPYOFEJEQQVNPC-JTQLQIEISA-N 0 3 212.293 0.233 20 0 BCADHN CN1CCC[C@@H](NC(=O)/C=C/Cn2cncn2)C1 ZINC000900592291 584329323 /nfs/dbraw/zinc/32/93/23/584329323.db2.gz XSINBOUHSFJKDE-JOAKQRRISA-N 0 3 249.318 0.045 20 0 BCADHN CN1CCC[C@@](O)(CC(=O)NC2CCC2)C1 ZINC000900617671 584332382 /nfs/dbraw/zinc/33/23/82/584332382.db2.gz SILZIJOQUSHJKW-GFCCVEGCSA-N 0 3 226.320 0.502 20 0 BCADHN COC/C(C)=C/Cn1cc([C@@H](C)N)nn1 ZINC000900642373 584332619 /nfs/dbraw/zinc/33/26/19/584332619.db2.gz HRQVNRUPTFYDHT-VGANXODHSA-N 0 3 210.281 0.891 20 0 BCADHN COCCN1CC[C@H](NC(=O)/C=C(\C)Cl)C1 ZINC000900623136 584332811 /nfs/dbraw/zinc/33/28/11/584332811.db2.gz JOAFEJVQYYOENQ-PCYYEKQGSA-N 0 3 246.738 0.966 20 0 BCADHN COCCN1CC[C@@H](NC(=O)/C=C(\C)Cl)C1 ZINC000900623138 584333026 /nfs/dbraw/zinc/33/30/26/584333026.db2.gz JOAFEJVQYYOENQ-TTZKWOQHSA-N 0 3 246.738 0.966 20 0 BCADHN CN1CCC[C@@H](CNC(=O)CCF)C1 ZINC000900630306 584333791 /nfs/dbraw/zinc/33/37/91/584333791.db2.gz LCCRKURCRRNRQI-VIFPVBQESA-N 0 3 202.273 0.804 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000900631192 584334350 /nfs/dbraw/zinc/33/43/50/584334350.db2.gz XUNHDHYWVFZKHJ-WOPDTQHZSA-N 0 3 242.363 0.851 20 0 BCADHN C/C=C\[C@H](O)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000900662478 584337423 /nfs/dbraw/zinc/33/74/23/584337423.db2.gz ONQIFTGKOGYPJW-BKGLOODYSA-N 0 3 238.331 0.476 20 0 BCADHN CN1CCC[C@H]1CNC(=O)CNc1ccccn1 ZINC000900696404 584339084 /nfs/dbraw/zinc/33/90/84/584339084.db2.gz XXKVKWVGQVYEDY-NSHDSACASA-N 0 3 248.330 0.704 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)Cc1c[nH]cn1 ZINC000900692864 584342062 /nfs/dbraw/zinc/34/20/62/584342062.db2.gz KSUNFVGAQGBINI-NSHDSACASA-N 0 3 238.335 0.655 20 0 BCADHN C/C=C\[C@H](O)C(=O)N[C@H](CN(C)C)C(C)C ZINC000900691805 584342069 /nfs/dbraw/zinc/34/20/69/584342069.db2.gz BCXNXSJBXUAXJQ-UQRGBAIESA-N 0 3 228.336 0.626 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@@H](CN(C)C)C(C)C ZINC000900691803 584342126 /nfs/dbraw/zinc/34/21/26/584342126.db2.gz BCXNXSJBXUAXJQ-JYLGIWJRSA-N 0 3 228.336 0.626 20 0 BCADHN CSC[C@@H](C)NC(=O)C12CCN(CC1)C2 ZINC000900765035 584353554 /nfs/dbraw/zinc/35/35/54/584353554.db2.gz UIKSOLMSFKWDDP-SECBINFHSA-N 0 3 228.361 0.950 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000900828681 584355065 /nfs/dbraw/zinc/35/50/65/584355065.db2.gz KAUDQIBKITZCTD-RHYQMDGZSA-N 0 3 242.363 0.992 20 0 BCADHN O[C@@H]1CCN(CCNc2cccc(F)n2)C1 ZINC000858812553 588977224 /nfs/dbraw/zinc/97/72/24/588977224.db2.gz QZNHYIQWAHHIFA-SECBINFHSA-N 0 3 225.267 0.699 20 0 BCADHN O=C(N[C@H]1CCSC1)C12CCN(CC1)C2 ZINC000900869552 584363717 /nfs/dbraw/zinc/36/37/17/584363717.db2.gz XGAGRODMPOADNH-VIFPVBQESA-N 0 3 226.345 0.704 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000900912885 584365578 /nfs/dbraw/zinc/36/55/78/584365578.db2.gz OVKFSPMZEVMODZ-WOPDTQHZSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@H]1CCN(CCNC(=O)CC2COC2)C1 ZINC000900913107 584365920 /nfs/dbraw/zinc/36/59/20/584365920.db2.gz QXOHDJMIQFXUQP-JTQLQIEISA-N 0 3 226.320 0.481 20 0 BCADHN CC1(C)CN(C(=O)Cc2cnc[nH]2)CCN1 ZINC000900938377 584367430 /nfs/dbraw/zinc/36/74/30/584367430.db2.gz VQKBADPVVOCFHJ-UHFFFAOYSA-N 0 3 222.292 0.163 20 0 BCADHN Cc1nc(CNC(=O)Cc2nc[nH]c2C)[nH]c1C ZINC000901001060 584373239 /nfs/dbraw/zinc/37/32/39/584373239.db2.gz SNPXJVIEJKXHEK-UHFFFAOYSA-N 0 3 247.302 0.917 20 0 BCADHN C/C=C\[C@H](O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000900993070 584374972 /nfs/dbraw/zinc/37/49/72/584374972.db2.gz BAUJYQVTZXGTPT-DKHJKLQHSA-N 0 3 238.331 0.665 20 0 BCADHN O=C(NCc1ccc(F)cn1)C12CCN(CC1)C2 ZINC000901090875 584383813 /nfs/dbraw/zinc/38/38/13/584383813.db2.gz ACXKDFGCQZMYGZ-UHFFFAOYSA-N 0 3 249.289 0.933 20 0 BCADHN O=C(N[C@H](CCO)C1CC1)C12CCN(CC1)C2 ZINC000901095231 584384753 /nfs/dbraw/zinc/38/47/53/584384753.db2.gz UGJYRISYQHXAFV-LLVKDONJSA-N 0 3 238.331 0.359 20 0 BCADHN C[C@](CO)(NC(=O)C12CCN(CC1)C2)C1CC1 ZINC000901100980 584387985 /nfs/dbraw/zinc/38/79/85/584387985.db2.gz MHNPDHRGVAFOHX-GFCCVEGCSA-N 0 3 238.331 0.359 20 0 BCADHN C/C(Cl)=C/C(=O)NC[C@@](C)(O)CN(C)C ZINC000901184999 584393007 /nfs/dbraw/zinc/39/30/07/584393007.db2.gz GZSPJYJQWJXCRD-DAGBOUIGSA-N 0 3 234.727 0.558 20 0 BCADHN O[C@H]1CCN(CCNc2ncnc3c2CCC3)C1 ZINC000858866833 588980130 /nfs/dbraw/zinc/98/01/30/588980130.db2.gz HVLIAPLQRLFIIZ-JTQLQIEISA-N 0 3 248.330 0.444 20 0 BCADHN Cc1ccnc(NCCN2CC[C@H](O)C2)n1 ZINC000858867925 588980185 /nfs/dbraw/zinc/98/01/85/588980185.db2.gz SUQLUDGOYOTHSZ-JTQLQIEISA-N 0 3 222.292 0.264 20 0 BCADHN O=C(NN1CCCCC1)C12CCN(CC1)C2 ZINC000901223892 584411808 /nfs/dbraw/zinc/41/18/08/584411808.db2.gz MYVUIGWYHFKMPD-UHFFFAOYSA-N 0 3 223.320 0.599 20 0 BCADHN CC[C@@H](C(=O)N1CCN(C)[C@@H](C)[C@@H]1C)N(C)C ZINC000901306349 584420116 /nfs/dbraw/zinc/42/01/16/584420116.db2.gz JZCGHJOQKREARC-SRVKXCTJSA-N 0 3 241.379 0.878 20 0 BCADHN CN1CCC[C@](O)(CC(=O)N2CC=CCC2)C1 ZINC000901362587 584432988 /nfs/dbraw/zinc/43/29/88/584432988.db2.gz YQFMKXQGSDJNAI-ZDUSSCGKSA-N 0 3 238.331 0.622 20 0 BCADHN CO[C@H](C)Sc1nnnn1CCN(C)C ZINC000901466586 584451243 /nfs/dbraw/zinc/45/12/43/584451243.db2.gz NKZNACXBIIKPDZ-ZETCQYMHSA-N 0 3 231.325 0.319 20 0 BCADHN CCO[C@H](CN[C@H](CC)C(=O)OC)CN(C)C ZINC000901593329 584465962 /nfs/dbraw/zinc/46/59/62/584465962.db2.gz OQVOMPVBZWRFFC-GHMZBOCLSA-N 0 3 246.351 0.494 20 0 BCADHN COCc1noc(C[C@@H]2CCN(C)C2)n1 ZINC000901932975 584505910 /nfs/dbraw/zinc/50/59/10/584505910.db2.gz ZHXAFXCQXHJHLO-QMMMGPOBSA-N 0 3 211.265 0.710 20 0 BCADHN CN1CC[C@@H](Cc2nc(Cn3cccn3)no2)C1 ZINC000901945543 584506686 /nfs/dbraw/zinc/50/66/86/584506686.db2.gz XMQPDRRVJCRMHK-JTQLQIEISA-N 0 3 247.302 0.809 20 0 BCADHN CN1CC[C@H](Cc2nc(-c3ncc[nH]3)no2)C1 ZINC000901956049 584508548 /nfs/dbraw/zinc/50/85/48/584508548.db2.gz ZQMHEXMANOTMRN-MRVPVSSYSA-N 0 3 233.275 0.954 20 0 BCADHN CN1CC[C@@H](Cc2nc(-c3ncc[nH]3)no2)C1 ZINC000901956050 584508566 /nfs/dbraw/zinc/50/85/66/584508566.db2.gz ZQMHEXMANOTMRN-QMMMGPOBSA-N 0 3 233.275 0.954 20 0 BCADHN CN1CC[C@@H](Cc2nc(-c3cncn3C)no2)C1 ZINC000901988070 584510143 /nfs/dbraw/zinc/51/01/43/584510143.db2.gz RHBWVMKQHBVKHC-VIFPVBQESA-N 0 3 247.302 0.964 20 0 BCADHN CN1CC[C@H](Cc2nc(-c3cncn3C)no2)C1 ZINC000901988067 584510252 /nfs/dbraw/zinc/51/02/52/584510252.db2.gz RHBWVMKQHBVKHC-SECBINFHSA-N 0 3 247.302 0.964 20 0 BCADHN O=C1OCCN1CN1CCN(CC2CC2)CC1 ZINC000902064099 584522165 /nfs/dbraw/zinc/52/21/65/584522165.db2.gz DMNPPIJHBMYRNT-UHFFFAOYSA-N 0 3 239.319 0.424 20 0 BCADHN CN(CN1CCOC1=O)[C@@H]1CCN(C2CC2)C1 ZINC000902127077 584529062 /nfs/dbraw/zinc/52/90/62/584529062.db2.gz LTDPEKLOECCDRG-LLVKDONJSA-N 0 3 239.319 0.565 20 0 BCADHN CCn1cnc(CNC[C@](C)(O)CCOC)c1 ZINC000902247763 584546438 /nfs/dbraw/zinc/54/64/38/584546438.db2.gz IRGWESJKZIJNGA-GFCCVEGCSA-N 0 3 241.335 0.780 20 0 BCADHN CCNc1ccccc1CNC(CO)CO ZINC000902274848 584550504 /nfs/dbraw/zinc/55/05/04/584550504.db2.gz DQKZHWIZRRJRCR-UHFFFAOYSA-N 0 3 224.304 0.561 20 0 BCADHN C[C@H]1C[C@@H](NCCCON)c2nccn21 ZINC000902415758 584589701 /nfs/dbraw/zinc/58/97/01/584589701.db2.gz QDCNSOBRCRDFRY-DTWKUNHWSA-N 0 3 210.281 0.759 20 0 BCADHN CCn1cnc(CNCCc2ccnn2C)c1 ZINC000902485923 584625500 /nfs/dbraw/zinc/62/55/00/584625500.db2.gz BOZNWDUJIVPGTM-UHFFFAOYSA-N 0 3 233.319 0.969 20 0 BCADHN CCn1cnc(CNC[C@@]2(O)CCN(C)C2)c1 ZINC000902488925 584627367 /nfs/dbraw/zinc/62/73/67/584627367.db2.gz ONQRHZBNSYMALA-LBPRGKRZSA-N 0 3 238.335 0.059 20 0 BCADHN CCn1cnc(CN[C@@H](C)CN(C)C)c1 ZINC000902564456 584634901 /nfs/dbraw/zinc/63/49/01/584634901.db2.gz SKWPPOFHQYXTCU-JTQLQIEISA-N 0 3 210.325 0.943 20 0 BCADHN CNc1ccccc1CNCCN1CC[C@@H](O)C1 ZINC000902626232 584645926 /nfs/dbraw/zinc/64/59/26/584645926.db2.gz RWYZQXNDGDHOJE-CYBMUJFWSA-N 0 3 249.358 0.885 20 0 BCADHN CCNc1ccccc1CNC[C@@H](O)[C@H](C)O ZINC000902633624 584647457 /nfs/dbraw/zinc/64/74/57/584647457.db2.gz WNYPGHLEMATJQW-GXFFZTMASA-N 0 3 238.331 0.950 20 0 BCADHN CNc1ccccc1CNC[C@H](O)[C@@H](C)O ZINC000902632820 584647470 /nfs/dbraw/zinc/64/74/70/584647470.db2.gz PHSGNLFKPPMNMZ-SKDRFNHKSA-N 0 3 224.304 0.560 20 0 BCADHN CCn1cc(CNC[C@@H](O)[C@@H](C)O)c(C)n1 ZINC000902632499 584647630 /nfs/dbraw/zinc/64/76/30/584647630.db2.gz NVTJDOYSKCAPRQ-MWLCHTKSSA-N 0 3 227.308 0.043 20 0 BCADHN C[C@]12CSC[C@H]1CN(Cn1cnnc1)C2 ZINC000902675220 584652041 /nfs/dbraw/zinc/65/20/41/584652041.db2.gz ROFWCAVXJWUYIU-ZJUUUORDSA-N 0 3 224.333 0.921 20 0 BCADHN CCN(CCC(=O)OC)CCc1cn(C)nn1 ZINC000859103810 589002650 /nfs/dbraw/zinc/00/26/50/589002650.db2.gz GJKSDNIPNTZPFF-UHFFFAOYSA-N 0 3 240.307 0.243 20 0 BCADHN C[C@H]1CCCN(CCNC(=O)CCO)C1 ZINC000902803325 584671267 /nfs/dbraw/zinc/67/12/67/584671267.db2.gz JYDXUXPODCYYAW-JTQLQIEISA-N 0 3 214.309 0.217 20 0 BCADHN C[C@@H](N[C@@H]1CCN(CC2CC2)C1)c1cn(C)nn1 ZINC000902795783 584673752 /nfs/dbraw/zinc/67/37/52/584673752.db2.gz GYAVCZMASFPDTE-ZYHUDNBSSA-N 0 3 249.362 0.950 20 0 BCADHN C[C@H](CN1CCCCC1)NC(=O)OC1COC1 ZINC000902797287 584674745 /nfs/dbraw/zinc/67/47/45/584674745.db2.gz BPLFDDHFTVXYHR-SNVBAGLBSA-N 0 3 242.319 0.986 20 0 BCADHN C[C@@H](CNC(=O)CCO)N1CCC(C)CC1 ZINC000902825873 584676414 /nfs/dbraw/zinc/67/64/14/584676414.db2.gz CWEAEPHSWXBOJF-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)OC2COC2)C1 ZINC000902840547 584680525 /nfs/dbraw/zinc/68/05/25/584680525.db2.gz CGDIQIKVJXASBW-VIFPVBQESA-N 0 3 228.292 0.548 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)OC2COC2)C1 ZINC000902840546 584680571 /nfs/dbraw/zinc/68/05/71/584680571.db2.gz CGDIQIKVJXASBW-SECBINFHSA-N 0 3 228.292 0.548 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)OC1COC1 ZINC000902864298 584686635 /nfs/dbraw/zinc/68/66/35/584686635.db2.gz IOFAJBNOWWLWLA-SNVBAGLBSA-N 0 3 242.319 0.795 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)OC1COC1 ZINC000902864119 584686657 /nfs/dbraw/zinc/68/66/57/584686657.db2.gz FTULNWDYTVHUHX-JTQLQIEISA-N 0 3 242.319 0.986 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)OC2COC2)CCN1C ZINC000902876090 584687049 /nfs/dbraw/zinc/68/70/49/584687049.db2.gz MRGVMWQIFUMGDI-RKDXNWHRSA-N 0 3 228.292 0.594 20 0 BCADHN CC(C)N1CC[C@@H](N(C)C(=O)OC2COC2)C1 ZINC000902942221 584695405 /nfs/dbraw/zinc/69/54/05/584695405.db2.gz CQFHQLNZWBKGLW-SNVBAGLBSA-N 0 3 242.319 0.936 20 0 BCADHN CC(C)(CN1CCCC1)NC(=O)OC1COC1 ZINC000902943449 584695978 /nfs/dbraw/zinc/69/59/78/584695978.db2.gz QBDLYYQUXJCBFE-UHFFFAOYSA-N 0 3 242.319 0.986 20 0 BCADHN C[C@H]1[C@@H](NC(=O)Nc2nncs2)CCN1C ZINC000902930043 584698832 /nfs/dbraw/zinc/69/88/32/584698832.db2.gz ZJAKFTHLSLKSDP-BQBZGAKWSA-N 0 3 241.320 0.752 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)OC2COC2)C1 ZINC000902937993 584700808 /nfs/dbraw/zinc/70/08/08/584700808.db2.gz HGYMJTJOPSNGDF-WPRPVWTQSA-N 0 3 226.276 0.158 20 0 BCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CCO ZINC000902968023 584703138 /nfs/dbraw/zinc/70/31/38/584703138.db2.gz SXRQJPWLIYHSCV-VHSXEESVSA-N 0 3 212.293 0.064 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)OC3COC3)[C@@H]2C1 ZINC000902947310 584703617 /nfs/dbraw/zinc/70/36/17/584703617.db2.gz IKKSCCMANLCDLS-GXSJLCMTSA-N 0 3 240.303 0.548 20 0 BCADHN CC(C)(C)N1CC[C@H](NC(=O)OC2COC2)C1 ZINC000902953300 584705083 /nfs/dbraw/zinc/70/50/83/584705083.db2.gz SOTUGMKNOCJDMR-VIFPVBQESA-N 0 3 242.319 0.984 20 0 BCADHN O=C1NCC[C@H]1CCN1CCC[C@H](F)C1 ZINC000902991927 584709918 /nfs/dbraw/zinc/70/99/18/584709918.db2.gz FLPGUXLLSWJYIA-UWVGGRQHSA-N 0 3 214.284 0.947 20 0 BCADHN CC[C@@H](C)N1CCN(CCCNC(C)=O)CC1 ZINC000902974693 584712905 /nfs/dbraw/zinc/71/29/05/584712905.db2.gz RJZFKMDOHODRDC-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN C[C@H](O)CCN1CC[C@@H](Nc2ncccn2)C1 ZINC000903019193 584713792 /nfs/dbraw/zinc/71/37/92/584713792.db2.gz KAIAAXGLDZSRII-WDEREUQCSA-N 0 3 236.319 0.734 20 0 BCADHN C[C@@H](O)CN1CC[C@@H](Nc2ncccn2)C1 ZINC000903024832 584721428 /nfs/dbraw/zinc/72/14/28/584721428.db2.gz YJQWYMHLHSRADB-NXEZZACHSA-N 0 3 222.292 0.344 20 0 BCADHN CNC(=O)CCN1CC[C@@H](Nc2ncccn2)C1 ZINC000903028390 584721832 /nfs/dbraw/zinc/72/18/32/584721832.db2.gz NPJXYYKLBDFHBD-SNVBAGLBSA-N 0 3 249.318 0.099 20 0 BCADHN Cc1cc(CN[C@H]2CCO[C@]23CCOC3)n[nH]1 ZINC000903097080 584729337 /nfs/dbraw/zinc/72/93/37/584729337.db2.gz CAHRSBGRFFWFDP-RYUDHWBXSA-N 0 3 237.303 0.756 20 0 BCADHN Cc1cc(CN[C@H]2CCO[C@]23CCOC3)[nH]n1 ZINC000903097080 584729338 /nfs/dbraw/zinc/72/93/38/584729338.db2.gz CAHRSBGRFFWFDP-RYUDHWBXSA-N 0 3 237.303 0.756 20 0 BCADHN Cc1cc(CN[C@@H]2CCO[C@@]23CCOC3)n[nH]1 ZINC000903097081 584729351 /nfs/dbraw/zinc/72/93/51/584729351.db2.gz CAHRSBGRFFWFDP-VXGBXAGGSA-N 0 3 237.303 0.756 20 0 BCADHN Cc1cc(CN[C@@H]2CCO[C@@]23CCOC3)[nH]n1 ZINC000903097081 584729353 /nfs/dbraw/zinc/72/93/53/584729353.db2.gz CAHRSBGRFFWFDP-VXGBXAGGSA-N 0 3 237.303 0.756 20 0 BCADHN COCCN(CC1CC(OC)C1)[C@H](C)C(N)=O ZINC000859130524 589006670 /nfs/dbraw/zinc/00/66/70/589006670.db2.gz PHCQJXBUAKFMGE-KPPDAEKUSA-N 0 3 244.335 0.234 20 0 BCADHN CO[C@@H]1CCC[C@H]1NC1CN(c2ccncn2)C1 ZINC000903211580 584736952 /nfs/dbraw/zinc/73/69/52/584736952.db2.gz HJAUBWKLBDXXSY-VXGBXAGGSA-N 0 3 248.330 0.822 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903286457 584745425 /nfs/dbraw/zinc/74/54/25/584745425.db2.gz JZYXWJSJYIPLOX-NAFSEIKSSA-N 0 3 239.315 0.903 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)OCCF)C1 ZINC000859166484 589007589 /nfs/dbraw/zinc/00/75/89/589007589.db2.gz BXMRGRSWNRYBDK-IUCAKERBSA-N 0 3 216.256 0.728 20 0 BCADHN CCN1CCC[C@H](N[C@@H](C)CCO)C1=O ZINC000903391779 584756241 /nfs/dbraw/zinc/75/62/41/584756241.db2.gz GTAUAYCKWZDJNQ-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@H](NCCCc1nnnn1C)c1ccn(C)n1 ZINC000903351849 584755161 /nfs/dbraw/zinc/75/51/61/584755161.db2.gz PRFDTFHVAPLNSI-VIFPVBQESA-N 0 3 249.322 0.227 20 0 BCADHN C[C@@H](NCC[C@H](O)C1CC1)c1cnnn1C ZINC000903406175 584758560 /nfs/dbraw/zinc/75/85/60/584758560.db2.gz HERTVULHOBLMQF-KCJUWKMLSA-N 0 3 224.308 0.627 20 0 BCADHN C[C@H](CC(N)=O)NCc1ccc(CCO)cc1 ZINC000903398713 584760552 /nfs/dbraw/zinc/76/05/52/584760552.db2.gz XHGIXOUVPHXJAN-SNVBAGLBSA-N 0 3 236.315 0.575 20 0 BCADHN FC(F)[C@H]1CNCCN1CCOC1CC1 ZINC000903452650 584772331 /nfs/dbraw/zinc/77/23/31/584772331.db2.gz PGWOYALMEQTOJX-SECBINFHSA-N 0 3 220.263 0.704 20 0 BCADHN [NH3+]C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000903571348 584784111 /nfs/dbraw/zinc/78/41/11/584784111.db2.gz ZFMJALULZSSUJV-ZKCHVHJHSA-N 0 3 246.357 0.764 20 0 BCADHN CC(C)S(=O)(=O)CCNC1CCC(O)CC1 ZINC000200662503 589010095 /nfs/dbraw/zinc/01/00/95/589010095.db2.gz DATPCRZFQNPOAB-UHFFFAOYSA-N 0 3 249.376 0.703 20 0 BCADHN CO[C@@H]1CCN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000859155740 589010981 /nfs/dbraw/zinc/01/09/81/589010981.db2.gz FYJNFROHUGVLIK-WDEREUQCSA-N 0 3 229.320 0.373 20 0 BCADHN CC(C(=O)Nc1nnnn1C)C(F)(F)F ZINC000904199988 584850898 /nfs/dbraw/zinc/85/08/98/584850898.db2.gz URWQCWVEXVPRCX-GSVOUGTGSA-N 0 3 223.158 0.347 20 0 BCADHN COCC(C)(C)NCc1ccc(N)nn1 ZINC000904328453 584865292 /nfs/dbraw/zinc/86/52/92/584865292.db2.gz OSRCEVBBECXCGT-UHFFFAOYSA-N 0 3 210.281 0.573 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(N)nn1 ZINC000904340755 584866626 /nfs/dbraw/zinc/86/66/26/584866626.db2.gz CFRWXRKMTMQMJM-VHSXEESVSA-N 0 3 235.335 0.583 20 0 BCADHN CCCOC(=O)NC[C@@H]1CCCCN1CCO ZINC000859174877 589013808 /nfs/dbraw/zinc/01/38/08/589013808.db2.gz JMHGNRZPGDLLFU-NSHDSACASA-N 0 3 244.335 0.969 20 0 BCADHN C[C@H](NCc1ccc(N)nn1)C1CCOCC1 ZINC000904359564 584871672 /nfs/dbraw/zinc/87/16/72/584871672.db2.gz BPMRGWTXZNCODY-VIFPVBQESA-N 0 3 236.319 0.964 20 0 BCADHN Nc1ccc(CN[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)nn1 ZINC000904383682 584877011 /nfs/dbraw/zinc/87/70/11/584877011.db2.gz CKBLBENWYFYVGU-LLHKWGMCSA-N 0 3 246.314 0.572 20 0 BCADHN COC(=O)C(C)(C)CCN[C@H]1CNOC1 ZINC000904423818 584880270 /nfs/dbraw/zinc/88/02/70/584880270.db2.gz IOXSIMSTBFHIJI-QMMMGPOBSA-N 0 3 216.281 0.069 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](O)c1ccco1 ZINC000730276265 584898272 /nfs/dbraw/zinc/89/82/72/584898272.db2.gz ISAKNOPPYDTTGU-SNVBAGLBSA-N 0 3 240.303 0.771 20 0 BCADHN CCCOC(=O)CCNC(=O)CN(C)CCC ZINC000730288060 584899359 /nfs/dbraw/zinc/89/93/59/584899359.db2.gz RUFFHFCCZBDVLJ-UHFFFAOYSA-N 0 3 244.335 0.788 20 0 BCADHN Cc1n[nH]c([C@H]2CCN(CC[S@](C)=O)C2)n1 ZINC000828626654 584903751 /nfs/dbraw/zinc/90/37/51/584903751.db2.gz JQRHCFKLZACXRU-FVMDXXJSSA-N 0 3 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C[C@H]1C[C@@H](NC(=O)c2cnsn2)CCN1C ZINC000741724018 585117027 /nfs/dbraw/zinc/11/70/27/585117027.db2.gz LUHUICRAIFDGPD-YUMQZZPRSA-N 0 3 240.332 0.751 20 0 BCADHN CC(C)CN(CCN1CCCC1)CC(N)=O ZINC000741753101 585117626 /nfs/dbraw/zinc/11/76/26/585117626.db2.gz NGZMDWYOGBWNQM-UHFFFAOYSA-N 0 3 227.352 0.526 20 0 BCADHN C[C@@H](NC(=S)NCCN(C)C)[C@@H]1CCOC1 ZINC000741862640 585120409 /nfs/dbraw/zinc/12/04/09/585120409.db2.gz SFFCJFQZTJWYIP-NXEZZACHSA-N 0 3 245.392 0.437 20 0 BCADHN C[C@H](NC(=S)NCCN(C)C)[C@@H]1CCOC1 ZINC000741862647 585120490 /nfs/dbraw/zinc/12/04/90/585120490.db2.gz SFFCJFQZTJWYIP-VHSXEESVSA-N 0 3 245.392 0.437 20 0 BCADHN CNC(=S)N1CC[C@@H](N2CC=CC2)C1 ZINC000741867206 585120537 /nfs/dbraw/zinc/12/05/37/585120537.db2.gz PQXFOGCMCCLHOE-SECBINFHSA-N 0 3 211.334 0.437 20 0 BCADHN CN1CCC2(CCN2C(=O)[C@H]2CCCO2)CC1 ZINC000742184612 585122559 /nfs/dbraw/zinc/12/25/59/585122559.db2.gz YWWOVWBGUBGEKP-LLVKDONJSA-N 0 3 238.331 0.862 20 0 BCADHN C[C@H]1COCCN(C[C@@H](O)CC2(O)CCC2)C1 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ZINC000760844436 585399662 /nfs/dbraw/zinc/39/96/62/585399662.db2.gz PTBDUPNDMSZRBK-LLVKDONJSA-N 0 3 225.336 0.293 20 0 BCADHN CC(C)NC(=O)CCN1CCN(C)[C@H](C)C1 ZINC000761067625 585404980 /nfs/dbraw/zinc/40/49/80/585404980.db2.gz GFRGTAJEGRTPFV-LLVKDONJSA-N 0 3 227.352 0.537 20 0 BCADHN C[C@H]1CN(CCCN2CCOCC2)CCN1C ZINC000761073862 585405123 /nfs/dbraw/zinc/40/51/23/585405123.db2.gz HTZVQYXLLRGQHU-ZDUSSCGKSA-N 0 3 241.379 0.345 20 0 BCADHN O[C@H](COC1CCOCC1)CN1CC[C@@H]2C[C@@H]21 ZINC000761095897 585408595 /nfs/dbraw/zinc/40/85/95/585408595.db2.gz PMFMVLREKINZNT-MDZLAQPJSA-N 0 3 241.331 0.637 20 0 BCADHN O[C@H](COC1CCOCC1)CN1CC[C@H]2C[C@H]21 ZINC000761095895 585408607 /nfs/dbraw/zinc/40/86/07/585408607.db2.gz PMFMVLREKINZNT-GMXVVIOVSA-N 0 3 241.331 0.637 20 0 BCADHN COCCCNC(=O)[C@H](C)N1CC[C@@H]2C[C@@H]21 ZINC000761098989 585409285 /nfs/dbraw/zinc/40/92/85/585409285.db2.gz VXCWIMQZMKLCNE-AXFHLTTASA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1cn(C)cn1 ZINC000761129787 585410765 /nfs/dbraw/zinc/41/07/65/585410765.db2.gz LAEWEHLCVMIMAX-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CC(C)(C)OC1=O ZINC000762040560 585425003 /nfs/dbraw/zinc/42/50/03/585425003.db2.gz QOEYICMUCCAUFN-VIFPVBQESA-N 0 3 242.319 0.539 20 0 BCADHN C[C@H](C1=CCN(C)CC1)N1C(=O)N[C@@H](C)C1=O ZINC000762315064 585430672 /nfs/dbraw/zinc/43/06/72/585430672.db2.gz FYZCFBCVKXSMEU-DTWKUNHWSA-N 0 3 237.303 0.577 20 0 BCADHN C/C=C(\C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000762722570 585436221 /nfs/dbraw/zinc/43/62/21/585436221.db2.gz RYIGHTKSEJSGID-VKJYCEFSSA-N 0 3 212.293 0.135 20 0 BCADHN CS/C=C/C(=O)NC[C@]1(O)CCN(C)C1 ZINC000762720994 585436376 /nfs/dbraw/zinc/43/63/76/585436376.db2.gz FOKGKUOZAPRSRZ-QLCVYAKKSA-N 0 3 230.333 0.046 20 0 BCADHN CN(C)C1(C(=O)NC[C@H]2CCCO2)CCC1 ZINC000762964355 585440258 /nfs/dbraw/zinc/44/02/58/585440258.db2.gz MPNKGBZNZKXLIN-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC000762971258 585440424 /nfs/dbraw/zinc/44/04/24/585440424.db2.gz GJHAZBGOXPCLJK-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN COC(=O)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC000762980441 585440916 /nfs/dbraw/zinc/44/09/16/585440916.db2.gz QMBYARMHYYJREX-QMMMGPOBSA-N 0 3 228.292 0.148 20 0 BCADHN COCCOCCNC(=O)C1(N(C)C)CCC1 ZINC000762980152 585440940 /nfs/dbraw/zinc/44/09/40/585440940.db2.gz WLTHHVKQOHAOQL-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN Cc1n[nH]cc1CNC(=O)C1(N(C)C)CCC1 ZINC000763027360 585441559 /nfs/dbraw/zinc/44/15/59/585441559.db2.gz CXUIZRCUJNJTMH-UHFFFAOYSA-N 0 3 236.319 0.819 20 0 BCADHN COCCCN(C)C(=O)C1(N(C)C)CCC1 ZINC000763027254 585441750 /nfs/dbraw/zinc/44/17/50/585441750.db2.gz AXYWPVSZTDLTPV-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CC(C)OC(=O)CNC(=O)C1(N(C)C)CCC1 ZINC000763042794 585442072 /nfs/dbraw/zinc/44/20/72/585442072.db2.gz OKWKRYTVESJYHL-UHFFFAOYSA-N 0 3 242.319 0.539 20 0 BCADHN C[C@@H](O)CCN(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763689182 585451811 /nfs/dbraw/zinc/45/18/11/585451811.db2.gz VJHWOJDVVWHKOH-ZJUUUORDSA-N 0 3 227.304 0.785 20 0 BCADHN O=C1O[C@@H](CN2CCCC[C@@H]2CO)CC12CC2 ZINC000763662247 585451944 /nfs/dbraw/zinc/45/19/44/585451944.db2.gz QVCNMLVZUPBWIH-GHMZBOCLSA-N 0 3 239.315 0.929 20 0 BCADHN CN(C[C@H]1CC2(CC2)C(=O)O1)[C@@H]1CCOC1 ZINC000763690425 585452539 /nfs/dbraw/zinc/45/25/39/585452539.db2.gz KUKZQOLFNQKDSV-NXEZZACHSA-N 0 3 225.288 0.803 20 0 BCADHN CN(CCn1cccn1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763692232 585452806 /nfs/dbraw/zinc/45/28/06/585452806.db2.gz SZZYDKPYXPJHEC-LLVKDONJSA-N 0 3 249.314 0.911 20 0 BCADHN CO[C@@H]1CCN(C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000763696868 585452826 /nfs/dbraw/zinc/45/28/26/585452826.db2.gz MLMQWVMXMCBMBA-NXEZZACHSA-N 0 3 225.288 0.803 20 0 BCADHN C[C@@H](CO)N(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763733517 585452908 /nfs/dbraw/zinc/45/29/08/585452908.db2.gz LIYCILBKKMWLDR-IUCAKERBSA-N 0 3 213.277 0.395 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CC3(CC3)C(=O)O2)CCN1C ZINC000763743218 585453523 /nfs/dbraw/zinc/45/35/23/585453523.db2.gz ZDNLCQRFRGJISI-MNOVXSKESA-N 0 3 238.331 0.718 20 0 BCADHN C[C@@H]1CN(C[C@H]2CC3(CC3)C(=O)O2)CCN1C ZINC000763743214 585453597 /nfs/dbraw/zinc/45/35/97/585453597.db2.gz ZDNLCQRFRGJISI-GHMZBOCLSA-N 0 3 238.331 0.718 20 0 BCADHN CC[C@@H]1CN(C[C@H]2CC3(CC3)C(=O)O2)C[C@H]1O ZINC000763741851 585453621 /nfs/dbraw/zinc/45/36/21/585453621.db2.gz UROPYRGPGAMMJW-GMTAPVOTSA-N 0 3 239.315 0.785 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C[C@H]1CC2(CC2)C(=O)O1 ZINC000763734702 585453637 /nfs/dbraw/zinc/45/36/37/585453637.db2.gz GNEHQBLFHXAOLD-OPRDCNLKSA-N 0 3 225.288 0.537 20 0 BCADHN CC[C@@H](NC(=O)CN(CC)CC)C(OC)OC ZINC000763783774 585454362 /nfs/dbraw/zinc/45/43/62/585454362.db2.gz OKTLZLJAQZOKSZ-SNVBAGLBSA-N 0 3 246.351 0.842 20 0 BCADHN CN(CCCCO)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763791312 585454455 /nfs/dbraw/zinc/45/44/55/585454455.db2.gz VMQHXKGNWNOQMW-SNVBAGLBSA-N 0 3 227.304 0.786 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)CCN1CCCC1 ZINC000763878500 585456177 /nfs/dbraw/zinc/45/61/77/585456177.db2.gz LPDGSMDTGYAAQI-CYBMUJFWSA-N 0 3 244.379 0.800 20 0 BCADHN C[C@H](CNC(=O)[C@H](O)C(C)(C)C)N(C)C ZINC000764815681 585474748 /nfs/dbraw/zinc/47/47/48/585474748.db2.gz ZIVOISIQLNVJGR-BDAKNGLRSA-N 0 3 216.325 0.460 20 0 BCADHN C[C@H](CNC(=O)[C@@H](O)C(C)(C)C)N(C)C1CC1 ZINC000764969856 585478260 /nfs/dbraw/zinc/47/82/60/585478260.db2.gz BLIPTATZLXCNNG-MWLCHTKSSA-N 0 3 242.363 0.992 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)[C@@H](O)C(C)(C)C ZINC000764975464 585478270 /nfs/dbraw/zinc/47/82/70/585478270.db2.gz XCBCAQHXGKTYMY-WDEREUQCSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H](CNC(=O)[C@H](O)C(C)(C)C)N(C)C1CC1 ZINC000764969857 585478282 /nfs/dbraw/zinc/47/82/82/585478282.db2.gz BLIPTATZLXCNNG-ONGXEEELSA-N 0 3 242.363 0.992 20 0 BCADHN CCN(CC(=O)OC)C(=O)C1(N(C)C)CCC1 ZINC000764994590 585478522 /nfs/dbraw/zinc/47/85/22/585478522.db2.gz GMLJSIPSIPYJEK-UHFFFAOYSA-N 0 3 242.319 0.492 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H](O)C(C)(C)C ZINC000765130449 585481658 /nfs/dbraw/zinc/48/16/58/585481658.db2.gz IREJQOZDMVRVKB-VIFPVBQESA-N 0 3 216.325 0.413 20 0 BCADHN CCOCC[C@H](O)CN1CCN(C)[C@@H](C)C1 ZINC000766050523 585497061 /nfs/dbraw/zinc/49/70/61/585497061.db2.gz DLEUKZCQNOFEGB-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN Cc1nccn1CCN1CCN(C)[C@H](C)C1 ZINC000766248372 585499308 /nfs/dbraw/zinc/49/93/08/585499308.db2.gz NVWOGMWXYZYTGJ-LLVKDONJSA-N 0 3 222.336 0.827 20 0 BCADHN C[C@H](O)C[C@@H]1COCCN1CCN1CCCC1 ZINC000767029637 585512902 /nfs/dbraw/zinc/51/29/02/585512902.db2.gz KHBMPFSLYJGJCJ-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN CNC(=O)CCN(C)CCC(=O)C1CC1 ZINC000767371600 585518261 /nfs/dbraw/zinc/51/82/61/585518261.db2.gz SUEZCAQPCYOYSB-UHFFFAOYSA-N 0 3 212.293 0.424 20 0 BCADHN NC(=O)NC1CCN(CCC(=O)C2CC2)CC1 ZINC000767415041 585519219 /nfs/dbraw/zinc/51/92/19/585519219.db2.gz OHYQVAAYJZILAY-UHFFFAOYSA-N 0 3 239.319 0.488 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1CCC1OCCO1 ZINC000767823647 585526528 /nfs/dbraw/zinc/52/65/28/585526528.db2.gz UJJNGFKQXLJKSA-WDEREUQCSA-N 0 3 228.336 0.774 20 0 BCADHN CCOC(CN(C)C1CC(O)C1)OCC ZINC000767851351 585526928 /nfs/dbraw/zinc/52/69/28/585526928.db2.gz NGMQXBMIABCFHB-UHFFFAOYSA-N 0 3 217.309 0.841 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)CCN1CCCC1 ZINC000767845135 585526994 /nfs/dbraw/zinc/52/69/94/585526994.db2.gz RRGGURZYZDUCKN-IAQYHMDHSA-N 0 3 232.393 0.781 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)C(C)(C)C(N)=O ZINC000767950927 585528808 /nfs/dbraw/zinc/52/88/08/585528808.db2.gz WRSDCXQTPQHIKW-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN CNC(=S)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000768477709 585539123 /nfs/dbraw/zinc/53/91/23/585539123.db2.gz DBTLVGUJLWRICB-ZJUUUORDSA-N 0 3 227.377 0.907 20 0 BCADHN CCN(CC)CCOC(=O)[C@H]1CCOC1 ZINC000768508318 585539414 /nfs/dbraw/zinc/53/94/14/585539414.db2.gz IQWKUTATKPWGQL-JTQLQIEISA-N 0 3 215.293 0.908 20 0 BCADHN COC(=O)[C@]1(F)CCN(C[C@@H]2CCCOC2)C1 ZINC000768530146 585539708 /nfs/dbraw/zinc/53/97/08/585539708.db2.gz HMTBUIDUCGMNMA-JQWIXIFHSA-N 0 3 245.294 1.000 20 0 BCADHN O=C1CN(C[C@H]2CCCOC2)CCCN1 ZINC000768531742 585539980 /nfs/dbraw/zinc/53/99/80/585539980.db2.gz DSQSOCLQYCOQBK-SNVBAGLBSA-N 0 3 212.293 0.235 20 0 BCADHN Cc1nn(C)c(C)c1CN1C[C@H](C)[C@H](O)C1 ZINC000768764933 585542758 /nfs/dbraw/zinc/54/27/58/585542758.db2.gz BPIBYUQDQHJWGX-QPUJVOFHSA-N 0 3 223.320 0.850 20 0 BCADHN C[C@@H]1CN(CC[C@@H]2CCOC2=O)[C@H](C)CN1C ZINC000768766592 585542952 /nfs/dbraw/zinc/54/29/52/585542952.db2.gz YYIQBRBTTWLLFZ-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@H](C)NC(=S)NCCN(CC)CCO ZINC000768790615 585543806 /nfs/dbraw/zinc/54/38/06/585543806.db2.gz ZASIAGNREXVXLA-JTQLQIEISA-N 0 3 247.408 0.563 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1COC(C)(C)O1)N(C)C ZINC000769277969 585552426 /nfs/dbraw/zinc/55/24/26/585552426.db2.gz WZAHTBSFJOYGKT-NXEZZACHSA-N 0 3 244.335 0.594 20 0 BCADHN CCN(CCO)CCNC(=O)/C=C(/C)C1CC1 ZINC000769635419 585560980 /nfs/dbraw/zinc/56/09/80/585560980.db2.gz KFRFEBGQVVFIHY-KHPPLWFESA-N 0 3 240.347 0.773 20 0 BCADHN CC(C)N(CCS(N)(=O)=O)CC1CCC1 ZINC000769924327 585566680 /nfs/dbraw/zinc/56/66/80/585566680.db2.gz CQQNSCXBZMQOOE-UHFFFAOYSA-N 0 3 234.365 0.785 20 0 BCADHN CCCN(C)CC(=O)NCc1ncccn1 ZINC000770052520 585570154 /nfs/dbraw/zinc/57/01/54/585570154.db2.gz GALOMXPUFVPKMC-UHFFFAOYSA-N 0 3 222.292 0.435 20 0 BCADHN CCN1CCN(c2ccnc(C(N)=O)c2)C[C@H]1C ZINC000770122516 585571159 /nfs/dbraw/zinc/57/11/59/585571159.db2.gz AZXNGBKHDYXARA-SNVBAGLBSA-N 0 3 248.330 0.711 20 0 BCADHN CN(CCN(C)C1CC1)CCN1CCOC1=O ZINC000770684296 585579881 /nfs/dbraw/zinc/57/98/81/585579881.db2.gz BKSRPEKAWZKJEF-UHFFFAOYSA-N 0 3 241.335 0.465 20 0 BCADHN CC[C@H](O)CN[C@]1(CC(=O)OC)CCCOC1 ZINC000770702327 585580239 /nfs/dbraw/zinc/58/02/39/585580239.db2.gz XYRGUSYCCXOXOM-JQWIXIFHSA-N 0 3 245.319 0.459 20 0 BCADHN CN1CCC(C(=O)N[C@@H](CO)C2CC2)CC1 ZINC000771001986 585586804 /nfs/dbraw/zinc/58/68/04/585586804.db2.gz IFUOYURCWNATGE-NSHDSACASA-N 0 3 226.320 0.215 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H](O)C(C)(C)C ZINC000805423170 585591720 /nfs/dbraw/zinc/59/17/20/585591720.db2.gz OVCOZJUUROUAIT-DTWKUNHWSA-N 0 3 216.325 0.460 20 0 BCADHN CO[C@@H](C)CC(=O)N[C@@H](C)CN(C)C ZINC000805427709 585592421 /nfs/dbraw/zinc/59/24/21/585592421.db2.gz KUWQQBNXFYXGJM-IUCAKERBSA-N 0 3 202.298 0.478 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)[C@@H](O)C(C)(C)C ZINC000771575040 585596990 /nfs/dbraw/zinc/59/69/90/585596990.db2.gz VXUWTQOISYKIBR-LLVKDONJSA-N 0 3 242.363 0.946 20 0 BCADHN C/C=C\C[C@@H](CO)NC(=O)C1(N(C)C)CCC1 ZINC000771614625 585597765 /nfs/dbraw/zinc/59/77/65/585597765.db2.gz YQNCZDMJHRLMHM-WYGGZMRJSA-N 0 3 240.347 0.914 20 0 BCADHN C/C=C/C(=O)NC[C@H](O)CN1CCCCC1 ZINC000771651884 585598422 /nfs/dbraw/zinc/59/84/22/585598422.db2.gz PWLHOUWMFKYUIT-GSQGTZRGSA-N 0 3 226.320 0.526 20 0 BCADHN COc1coc(CN[C@@H](CO)C2CC2)cc1=O ZINC000771802968 585600371 /nfs/dbraw/zinc/60/03/71/585600371.db2.gz ACLCZWCRSRIESL-JTQLQIEISA-N 0 3 239.271 0.509 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N[C@H](CCO)C1CC1 ZINC000771799256 585600443 /nfs/dbraw/zinc/60/04/43/585600443.db2.gz BSEYVVUDBKFYLY-ZYHUDNBSSA-N 0 3 242.363 0.992 20 0 BCADHN CC(C)(C)CCNC(=O)CN[C@@H](CO)C1CC1 ZINC000771803296 585600568 /nfs/dbraw/zinc/60/05/68/585600568.db2.gz BDCUGIMKEXNQMG-NSHDSACASA-N 0 3 242.363 0.899 20 0 BCADHN Cc1ccc(COC(=O)C2CCN(C)C2=O)nc1 ZINC000772517338 585617199 /nfs/dbraw/zinc/61/71/99/585617199.db2.gz HNVBCZWMLKEOLD-NSHDSACASA-N 0 3 248.282 0.912 20 0 BCADHN CO[C@H](C)COC(=O)C1CCN(C)C1=O ZINC000772528649 585617694 /nfs/dbraw/zinc/61/76/94/585617694.db2.gz FCUPTEBOUZMOFD-SFYZADRCSA-N 0 3 215.249 0.043 20 0 BCADHN CCOCCN(C)C(=O)C1(N(C)C)CCC1 ZINC000772892665 585626759 /nfs/dbraw/zinc/62/67/59/585626759.db2.gz RVTNVCHBSQESDW-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CCOCCONC(=O)NCCN(C)C1CC1 ZINC000773372837 585635627 /nfs/dbraw/zinc/63/56/27/585635627.db2.gz VWRRQXFPYISCHZ-UHFFFAOYSA-N 0 3 245.323 0.348 20 0 BCADHN COC[C@@H](OC(=O)C1CCN(C)C1=O)C1CC1 ZINC000774223678 585654437 /nfs/dbraw/zinc/65/44/37/585654437.db2.gz ASWFPLYHFVNIQD-NXEZZACHSA-N 0 3 241.287 0.433 20 0 BCADHN OCC[C@@]1(NCc2ccc(F)nc2)CCOC1 ZINC000775028972 585670615 /nfs/dbraw/zinc/67/06/15/585670615.db2.gz ICUPJAJEWPXNKB-GFCCVEGCSA-N 0 3 240.278 0.852 20 0 BCADHN C[NH+](C)CCCCC(=O)[N-]OC1CCOCC1 ZINC000775249050 585674168 /nfs/dbraw/zinc/67/41/68/585674168.db2.gz YZAQQNCSKYCQQV-UHFFFAOYSA-N 0 3 244.335 0.945 20 0 BCADHN C[C@]1(N[C@H]2CCCS(=O)(=O)C2)CCCOC1 ZINC000775400759 585677566 /nfs/dbraw/zinc/67/75/66/585677566.db2.gz LSFKWYWKFGXHJP-QWRGUYRKSA-N 0 3 247.360 0.722 20 0 BCADHN CC(C(=O)N1CCOCC[C@@H]1C)S(C)(=O)=O ZINC000775514908 585678764 /nfs/dbraw/zinc/67/87/64/585678764.db2.gz KTDHPGPOLOJYHI-IUCAKERBSA-N 0 3 249.332 0.057 20 0 BCADHN C[C@@H]1CCCCN(CCS(N)(=O)=O)C1 ZINC000775732707 585683767 /nfs/dbraw/zinc/68/37/67/585683767.db2.gz UULVHROVGPCONY-SECBINFHSA-N 0 3 220.338 0.397 20 0 BCADHN CC[C@@H]1[C@@H](C)CCN1CCS(N)(=O)=O ZINC000775783109 585684363 /nfs/dbraw/zinc/68/43/63/585684363.db2.gz OLTPIXCPEYMPIS-DTWKUNHWSA-N 0 3 220.338 0.395 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)NOC ZINC000776160994 585691360 /nfs/dbraw/zinc/69/13/60/585691360.db2.gz HTXYQAMJQFJFOX-SECBINFHSA-N 0 3 215.297 0.721 20 0 BCADHN COCCn1cc(CN[C@@H]2CCN(C)C2)cn1 ZINC000776175070 585691827 /nfs/dbraw/zinc/69/18/27/585691827.db2.gz WLONJBCJIZTHTN-GFCCVEGCSA-N 0 3 238.335 0.323 20 0 BCADHN CN1CC=C(CNC(=S)NC2CC2)CC1 ZINC000776198247 585692630 /nfs/dbraw/zinc/69/26/30/585692630.db2.gz IVUAYNMGFAJXAR-UHFFFAOYSA-N 0 3 225.361 0.875 20 0 BCADHN CN1C(=O)CN(CN2CCC[C@@H]2C2CC2)C1=O ZINC000776203414 585692998 /nfs/dbraw/zinc/69/29/98/585692998.db2.gz ZIQQMQMXYDXVQS-SNVBAGLBSA-N 0 3 237.303 0.712 20 0 BCADHN Cc1nsc(C(=O)NC[C@H]2CCN(C)C2)n1 ZINC000776424094 585698470 /nfs/dbraw/zinc/69/84/70/585698470.db2.gz YTSDEQXOQCUXDS-MRVPVSSYSA-N 0 3 240.332 0.528 20 0 BCADHN CCN(C[C@H]1CCOC1)Cn1cnnc1 ZINC000776758996 585704234 /nfs/dbraw/zinc/70/42/34/585704234.db2.gz FCGGXZJLISWPFU-SNVBAGLBSA-N 0 3 210.281 0.594 20 0 BCADHN CCN(C[C@@H]1CCOC1)Cn1cnnc1 ZINC000776758995 585704462 /nfs/dbraw/zinc/70/44/62/585704462.db2.gz FCGGXZJLISWPFU-JTQLQIEISA-N 0 3 210.281 0.594 20 0 BCADHN COC(C)(C)[C@@H](C)N[C@H]1CCCS(=O)(=O)C1 ZINC000300992998 585706069 /nfs/dbraw/zinc/70/60/69/585706069.db2.gz LXBORKSIHZYQKG-ZJUUUORDSA-N 0 3 249.376 0.967 20 0 BCADHN CN(C)CCNC(=S)N[C@H]1C[C@@H](O)C1(C)C ZINC000777479547 585713410 /nfs/dbraw/zinc/71/34/10/585713410.db2.gz FWWIFQZZXNTMPU-DTWKUNHWSA-N 0 3 245.392 0.172 20 0 BCADHN C(C1OCCO1)N1CCC[C@@H]2COCC[C@@H]21 ZINC000777599289 585715220 /nfs/dbraw/zinc/71/52/20/585715220.db2.gz HJSKKGAHANHOOL-MNOVXSKESA-N 0 3 227.304 0.860 20 0 BCADHN OCC[C@@H]1CCCN(CC2OCCO2)C1 ZINC000777575728 585715619 /nfs/dbraw/zinc/71/56/19/585715619.db2.gz IIGDSQCEAMFOPV-JTQLQIEISA-N 0 3 215.293 0.454 20 0 BCADHN C(C1OCCO1)N1CCC2(C1)CCOCC2 ZINC000777594850 585716448 /nfs/dbraw/zinc/71/64/48/585716448.db2.gz RMMOZUVLCBPVAL-UHFFFAOYSA-N 0 3 227.304 0.862 20 0 BCADHN c1cc(N2CCN(CC3OCCO3)CC2)ccn1 ZINC000777600498 585716701 /nfs/dbraw/zinc/71/67/01/585716701.db2.gz ROPKMFNFFTUKRD-UHFFFAOYSA-N 0 3 249.314 0.577 20 0 BCADHN CCN1CC(=O)N([C@H]2CCN(C3CC3)C2)C1=O ZINC000777626181 585717340 /nfs/dbraw/zinc/71/73/40/585717340.db2.gz QUQGOODNKKFJRQ-JTQLQIEISA-N 0 3 237.303 0.507 20 0 BCADHN O=C1[C@@H]2CCCN2C(=O)N1[C@@H]1CCN(C2CC2)C1 ZINC000777625126 585717559 /nfs/dbraw/zinc/71/75/59/585717559.db2.gz GCQCVTXNPVWZPR-MNOVXSKESA-N 0 3 249.314 0.650 20 0 BCADHN CC[C@@H]1NC(=O)N([C@@H]2CCN(C3CC3)C2)C1=O ZINC000777626412 585717635 /nfs/dbraw/zinc/71/76/35/585717635.db2.gz RZULLTJLVRBTPE-ZJUUUORDSA-N 0 3 237.303 0.554 20 0 BCADHN C[C@@H](C1CC1)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000777700746 585718416 /nfs/dbraw/zinc/71/84/16/585718416.db2.gz DNBWBHIKJHTXJX-ONGXEEELSA-N 0 3 246.376 0.799 20 0 BCADHN CN(CC1OCCO1)C[C@H]1CCC[C@@H]1O ZINC000777711633 585718501 /nfs/dbraw/zinc/71/85/01/585718501.db2.gz FYGWXGUQGZMVAQ-ZJUUUORDSA-N 0 3 215.293 0.452 20 0 BCADHN C[C@@H](C1CC1)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000777700737 585718527 /nfs/dbraw/zinc/71/85/27/585718527.db2.gz DNBWBHIKJHTXJX-GXSJLCMTSA-N 0 3 246.376 0.799 20 0 BCADHN CN1CCN(CC2OCCO2)C(C)(C)C1 ZINC000777717685 585718756 /nfs/dbraw/zinc/71/87/56/585718756.db2.gz ZMLJWAFRCSOPRT-UHFFFAOYSA-N 0 3 214.309 0.385 20 0 BCADHN CC(=O)OCC(C)(C)CC(=O)NCCN(C)C ZINC000777839015 585721076 /nfs/dbraw/zinc/72/10/76/585721076.db2.gz SQGSNVFPWYZCJA-UHFFFAOYSA-N 0 3 244.335 0.644 20 0 BCADHN OCC1(NCc2ccc(F)nc2)CCOCC1 ZINC000778168647 585726614 /nfs/dbraw/zinc/72/66/14/585726614.db2.gz FHBJMQCVQUDMPM-UHFFFAOYSA-N 0 3 240.278 0.852 20 0 BCADHN CN(CC1OCCO1)C[C@H]1CCCC[C@H]1O ZINC000778246432 585729311 /nfs/dbraw/zinc/72/93/11/585729311.db2.gz OISBQUFPWBRNOC-GHMZBOCLSA-N 0 3 229.320 0.842 20 0 BCADHN C[C@@H](NC(=O)C1(N(C)C)CCC1)c1ncon1 ZINC000778410651 585734333 /nfs/dbraw/zinc/73/43/33/585734333.db2.gz SDWHZFBQBMIGNM-MRVPVSSYSA-N 0 3 238.291 0.731 20 0 BCADHN O=C(OCCC[NH+]1CCCC1)c1c[n-]nn1 ZINC000805607119 585734406 /nfs/dbraw/zinc/73/44/06/585734406.db2.gz HCYYJTHRZPOFNB-UHFFFAOYSA-N 0 3 224.264 0.447 20 0 BCADHN COCCOC[C@@H](C)N[C@@H]1CCCN(C)C1=O ZINC000778546919 585736844 /nfs/dbraw/zinc/73/68/44/585736844.db2.gz REKIAOBCVXEVFQ-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN CCc1nc([C@H](C)N[C@H](C)CCO)n[nH]1 ZINC000779418160 585754313 /nfs/dbraw/zinc/75/43/13/585754313.db2.gz RYJFEWAXBPREHE-SFYZADRCSA-N 0 3 212.297 0.789 20 0 BCADHN CCCN(C)CC(=O)N1CC(n2ccnn2)C1 ZINC000779553164 585756154 /nfs/dbraw/zinc/75/61/54/585756154.db2.gz NTLBSPZVJIOMIE-UHFFFAOYSA-N 0 3 237.307 0.003 20 0 BCADHN CC[C@H](CO)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000779611820 585757341 /nfs/dbraw/zinc/75/73/41/585757341.db2.gz WOYDREOSGZCWOE-ZJUUUORDSA-N 0 3 226.320 0.358 20 0 BCADHN CC[C@H](CO)C(=O)NCCN(CC)C1CC1 ZINC000779623074 585757426 /nfs/dbraw/zinc/75/74/26/585757426.db2.gz IUEQIHQARWHLRP-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@@H](CO)C(=O)N[C@H](C)CN1CCCCC1 ZINC000779738939 585760223 /nfs/dbraw/zinc/76/02/23/585760223.db2.gz GWVDNMUGISPQSL-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](CO)C(=O)N(C)C1CCN(CC)CC1 ZINC000779761492 585761416 /nfs/dbraw/zinc/76/14/16/585761416.db2.gz CJXYZTDBIRHGMJ-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H](CO)C(=O)N1CCCN(C(C)C)CC1 ZINC000779765310 585761616 /nfs/dbraw/zinc/76/16/16/585761616.db2.gz SJZOBQJRCZNSCA-LBPRGKRZSA-N 0 3 242.363 0.948 20 0 BCADHN CC(=O)OC(C)(C)C(=O)NC[C@@H]1CCCN1C ZINC000779780171 585762650 /nfs/dbraw/zinc/76/26/50/585762650.db2.gz QKYHNRRKILQIDK-JTQLQIEISA-N 0 3 242.319 0.539 20 0 BCADHN CC[C@H](CO)C(=O)N[C@@H](CN(C)C)C(C)C ZINC000779779883 585762713 /nfs/dbraw/zinc/76/27/13/585762713.db2.gz MGQITKSWSREKKV-MNOVXSKESA-N 0 3 230.352 0.707 20 0 BCADHN CC[C@H](CO)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000779783693 585762744 /nfs/dbraw/zinc/76/27/44/585762744.db2.gz BWVYVYIUMUKSGV-QJPTWQEYSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](CO)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000779783699 585763130 /nfs/dbraw/zinc/76/31/30/585763130.db2.gz BWVYVYIUMUKSGV-UTUOFQBUSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@H](CO)C(=O)NCCN1CC[C@H](C)C1 ZINC000779802082 585764873 /nfs/dbraw/zinc/76/48/73/585764873.db2.gz CKSVWUVAOACOHB-QWRGUYRKSA-N 0 3 228.336 0.463 20 0 BCADHN CN(C)CCNC(=S)NC[C@H]1CCC=CO1 ZINC000780219373 585773749 /nfs/dbraw/zinc/77/37/49/585773749.db2.gz OFKGWIRJTCAYBU-SNVBAGLBSA-N 0 3 243.376 0.705 20 0 BCADHN Cc1cnc(C(=O)NCCN(C)C)c(C)c1 ZINC000780674131 585783012 /nfs/dbraw/zinc/78/30/12/585783012.db2.gz KKUIYDADCBKMOV-UHFFFAOYSA-N 0 3 221.304 0.990 20 0 BCADHN CCCS(=O)(=O)NCCN1CCC[C@@H]1C ZINC000780867344 585785643 /nfs/dbraw/zinc/78/56/43/585785643.db2.gz PWYDDBMNTWEVNL-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN OC[C@@]12C[C@@H]1CN(CCOC1CCOCC1)C2 ZINC000859269631 589025627 /nfs/dbraw/zinc/02/56/27/589025627.db2.gz FABDLPBNCOCEEO-YPMHNXCESA-N 0 3 241.331 0.496 20 0 BCADHN C[C@H](O)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000781043608 585789110 /nfs/dbraw/zinc/78/91/10/585789110.db2.gz NVEBZMUATBWDOF-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](C1CC1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000782182097 585810228 /nfs/dbraw/zinc/81/02/28/585810228.db2.gz RZABYACHVPVBNF-PSASIEDQSA-N 0 3 232.349 0.408 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN([C@H](C)C2CC2)C1 ZINC000782189049 585811331 /nfs/dbraw/zinc/81/13/31/585811331.db2.gz FGAIADUZRVRHAN-PSASIEDQSA-N 0 3 232.349 0.408 20 0 BCADHN COC(=O)CCCN1C[C@H]2C[C@@]2(CO)C1 ZINC000782610019 585821891 /nfs/dbraw/zinc/82/18/91/585821891.db2.gz UBHDLHXXCXXGFC-KOLCDFICSA-N 0 3 213.277 0.254 20 0 BCADHN CC(C)COC[C@H](O)CN1C[C@H]2C[C@@]2(CO)C1 ZINC000782614744 585822113 /nfs/dbraw/zinc/82/21/13/585822113.db2.gz DONGVPCKJQMEJC-UPJWGTAASA-N 0 3 243.347 0.334 20 0 BCADHN OC[C@]12C[C@H]1CN(CCC1OCCCO1)C2 ZINC000782619912 585822740 /nfs/dbraw/zinc/82/27/40/585822740.db2.gz SVSQZAXVGUIWEF-CMPLNLGQSA-N 0 3 227.304 0.454 20 0 BCADHN OC[C@]12C[C@H]1CN(CCn1cccn1)C2 ZINC000782629816 585823228 /nfs/dbraw/zinc/82/32/28/585823228.db2.gz VWMXXICFKXXDBH-WDEREUQCSA-N 0 3 207.277 0.197 20 0 BCADHN CSC[C@H](O)CN1C[C@H]2C[C@@]2(CO)C1 ZINC000782628871 585823347 /nfs/dbraw/zinc/82/33/47/585823347.db2.gz SLPZHJKBCRIMCE-BBBLOLIVSA-N 0 3 217.334 0.025 20 0 BCADHN COCCOC(=O)CSCCN(C)C ZINC000783538312 585836242 /nfs/dbraw/zinc/83/62/42/585836242.db2.gz KPMIZFVVZOJKCJ-UHFFFAOYSA-N 0 3 221.322 0.471 20 0 BCADHN C[C@H](C[C@H](C)O)NC(=O)C1(N(C)C)CCC1 ZINC000783632046 585838982 /nfs/dbraw/zinc/83/89/82/585838982.db2.gz SOVVPFBATVYSHA-ZJUUUORDSA-N 0 3 228.336 0.746 20 0 BCADHN CN1CCC(NC(=S)N2CC(F)C2)CC1 ZINC000783761167 585842448 /nfs/dbraw/zinc/84/24/48/585842448.db2.gz CDHOVHFWVANYCR-UHFFFAOYSA-N 0 3 231.340 0.609 20 0 BCADHN C[C@@H]1OCC[C@]1(C)NC(=S)NCCN(C)C ZINC000783766322 585842674 /nfs/dbraw/zinc/84/26/74/585842674.db2.gz WOOBZMMLVKJMEF-ONGXEEELSA-N 0 3 245.392 0.580 20 0 BCADHN CN(C)CCNC(=S)NCC1(CO)CCC1 ZINC000783790663 585843317 /nfs/dbraw/zinc/84/33/17/585843317.db2.gz DNRTUJXPJZQOSM-UHFFFAOYSA-N 0 3 245.392 0.175 20 0 BCADHN CC[C@H](C(=O)NCCN1CCC[C@H]1C)N(C)C ZINC000783922873 585845848 /nfs/dbraw/zinc/84/58/48/585845848.db2.gz WNMRIUFUNAIWTI-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1ccn(C)n1 ZINC000783920559 585845884 /nfs/dbraw/zinc/84/58/84/585845884.db2.gz MQTHPIPSNAHPCT-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H](F)C(C)C ZINC000784390005 585858167 /nfs/dbraw/zinc/85/81/67/585858167.db2.gz WITZSWVRHYNBDO-JTQLQIEISA-N 0 3 234.315 0.675 20 0 BCADHN COC(=O)/C(C)=C/CN(C[C@H](C)O)[C@H](C)CO ZINC000785536192 585875292 /nfs/dbraw/zinc/87/52/92/585875292.db2.gz CRSSZCHCNHNUOH-DTGHLQKHSA-N 0 3 245.319 0.169 20 0 BCADHN Cc1cncc(COC(=O)C2CCN(C)C2=O)c1 ZINC000785696501 585878752 /nfs/dbraw/zinc/87/87/52/585878752.db2.gz PORMSWBPWBOXSC-NSHDSACASA-N 0 3 248.282 0.912 20 0 BCADHN O=C(OCCN1CCCCC1)C1COC1 ZINC000785775661 585880580 /nfs/dbraw/zinc/88/05/80/585880580.db2.gz DMHMQQMPNWUXPC-UHFFFAOYSA-N 0 3 213.277 0.662 20 0 BCADHN C[C@H](CNC(=O)[C@H](C)O)N1CCC[C@H](C)C1 ZINC000786775714 585897284 /nfs/dbraw/zinc/89/72/84/585897284.db2.gz LLXNYVWBYOESRH-AXFHLTTASA-N 0 3 228.336 0.604 20 0 BCADHN CCO[N-]C(=O)C1CC[NH+](C2CC2)CC1 ZINC000786833696 585897741 /nfs/dbraw/zinc/89/77/41/585897741.db2.gz ZGHDTONYQFIEAF-UHFFFAOYSA-N 0 3 212.293 0.929 20 0 BCADHN CCOC1CC(N(C)CCN2CCOC2=O)C1 ZINC000805819975 585897799 /nfs/dbraw/zinc/89/77/99/585897799.db2.gz AVXFSGOISSBWEM-UHFFFAOYSA-N 0 3 242.319 0.938 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1CCC(C)(C)C ZINC000786876011 585898443 /nfs/dbraw/zinc/89/84/43/585898443.db2.gz IGJIUMWNCSBQMB-MRVPVSSYSA-N 0 3 248.348 0.830 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)[C@@H](C)O ZINC000786978140 585899466 /nfs/dbraw/zinc/89/94/66/585899466.db2.gz WCMWSBLQDHOWNU-BDAKNGLRSA-N 0 3 202.298 0.070 20 0 BCADHN CO[C@@H]1CC(=O)N(CN2CC[C@@H](C3CC3)C2)C1 ZINC000787227754 585903496 /nfs/dbraw/zinc/90/34/96/585903496.db2.gz MWAWDJGSQFVKBL-VXGBXAGGSA-N 0 3 238.331 0.923 20 0 BCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(F)F ZINC000787532246 585911076 /nfs/dbraw/zinc/91/10/76/585911076.db2.gz BTSFBISLDNMJNN-VIFPVBQESA-N 0 3 249.305 0.394 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN2CCC[C@@H]2CO)C1(F)F ZINC000787772897 585915808 /nfs/dbraw/zinc/91/58/08/585915808.db2.gz KGZVYZGWVSZAJC-VGMNWLOBSA-N 0 3 249.257 0.497 20 0 BCADHN CC(C)OCC[C@H](O)CN1C[C@H]2C[C@@]2(CO)C1 ZINC000788275970 585920582 /nfs/dbraw/zinc/92/05/82/585920582.db2.gz PAMUHHXEAORNFG-AGIUHOORSA-N 0 3 243.347 0.477 20 0 BCADHN C[NH+]1CCC(C(=O)[N-]OC[C@@H]2CCOC2)CC1 ZINC000788575073 585927116 /nfs/dbraw/zinc/92/71/16/585927116.db2.gz QAZVXRMVWSCAOR-SNVBAGLBSA-N 0 3 242.319 0.413 20 0 BCADHN CN(C)CCNC(=S)NC[C@H]1CC[C@H](O)C1 ZINC000788680389 585928926 /nfs/dbraw/zinc/92/89/26/585928926.db2.gz NHUZIYQRADEZOP-UWVGGRQHSA-N 0 3 245.392 0.173 20 0 BCADHN COCCONC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000789020426 585933322 /nfs/dbraw/zinc/93/33/22/585933322.db2.gz GQEHFWKMTXPZNY-SECBINFHSA-N 0 3 243.307 0.100 20 0 BCADHN COCCONC(=O)N(C)CCN(C)C1CC1 ZINC000789346403 585940884 /nfs/dbraw/zinc/94/08/84/585940884.db2.gz INPNOOYDASDTLF-UHFFFAOYSA-N 0 3 245.323 0.300 20 0 BCADHN C[C@@H]1CC[C@H](CN2C[C@@H]3C[C@]3(CO)C2)O1 ZINC000789424382 585942526 /nfs/dbraw/zinc/94/25/26/585942526.db2.gz YXHYBWLNZIRVCX-WRWGMCAJSA-N 0 3 211.305 0.868 20 0 BCADHN c1nncn1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000789513217 585943644 /nfs/dbraw/zinc/94/36/44/585943644.db2.gz KEMCKUWVYHGQOL-QWRGUYRKSA-N 0 3 222.292 0.879 20 0 BCADHN NC(=O)CCOC(=O)C1CCN(C2CC2)CC1 ZINC000805902706 585948956 /nfs/dbraw/zinc/94/89/56/585948956.db2.gz UJXHGOTWEMUTPR-UHFFFAOYSA-N 0 3 240.303 0.279 20 0 BCADHN Cc1nc(COC(=O)[C@@H](C(C)C)N(C)C)n[nH]1 ZINC000789804796 585950843 /nfs/dbraw/zinc/95/08/43/585950843.db2.gz VMOVIPWITHBYMZ-SNVBAGLBSA-N 0 3 240.307 0.743 20 0 BCADHN Cc1nn[nH]c1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000789979235 585955158 /nfs/dbraw/zinc/95/51/58/585955158.db2.gz IEQXNJSNPNWWTQ-GMSGAONNSA-N 0 3 249.318 0.326 20 0 BCADHN CN(C(=O)CC1OCCO1)[C@H]1CCCN(C)C1 ZINC000789987289 585955537 /nfs/dbraw/zinc/95/55/37/585955537.db2.gz SJWOUQUTMXYTON-JTQLQIEISA-N 0 3 242.319 0.302 20 0 BCADHN COC/C=C\C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000791372198 585979351 /nfs/dbraw/zinc/97/93/51/585979351.db2.gz LELPBVDUPXDJPE-JPVGGKMYSA-N 0 3 226.320 0.742 20 0 BCADHN CC(=O)CCC(=O)OCCCN(C)C ZINC000791494763 585982175 /nfs/dbraw/zinc/98/21/75/585982175.db2.gz CESBMUCZSKPYPF-UHFFFAOYSA-N 0 3 201.266 0.851 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](NCc2ccnn2C)C1 ZINC000792195659 585997353 /nfs/dbraw/zinc/99/73/53/585997353.db2.gz DETNJMKITAWJIJ-NXEZZACHSA-N 0 3 237.303 0.851 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](NCc2cncn2C)C1 ZINC000792196941 585997522 /nfs/dbraw/zinc/99/75/22/585997522.db2.gz NGVUEKSWTIHTJL-NXEZZACHSA-N 0 3 237.303 0.851 20 0 BCADHN CN(C)CCCOC(=O)C1(S(C)(=O)=O)CC1 ZINC000792271980 585998764 /nfs/dbraw/zinc/99/87/64/585998764.db2.gz MTRRIIHPZXORTD-UHFFFAOYSA-N 0 3 249.332 0.059 20 0 BCADHN C(C1OCCO1)N1CC[C@]2(C1)CCCOC2 ZINC000792941169 586007454 /nfs/dbraw/zinc/00/74/54/586007454.db2.gz RZJFBGBZZUKWHD-LBPRGKRZSA-N 0 3 227.304 0.862 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NOCC(F)F ZINC000792983030 586007796 /nfs/dbraw/zinc/00/77/96/586007796.db2.gz AFEXEXJTNFUSNM-ZETCQYMHSA-N 0 3 237.250 0.577 20 0 BCADHN C[C@H](CNC(=O)C[C@@H]1CCCOC1)N(C)C ZINC000793018116 586008531 /nfs/dbraw/zinc/00/85/31/586008531.db2.gz VTQSXIHDQGXKEI-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](CNC(=O)C[C@@H]1CCCOC1)N(C)C ZINC000793018117 586008539 /nfs/dbraw/zinc/00/85/39/586008539.db2.gz VTQSXIHDQGXKEI-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CN(C)CCNC(=O)NCc1cccnc1F ZINC000793304761 586016468 /nfs/dbraw/zinc/01/64/68/586016468.db2.gz ULKMNMRGMYPICK-UHFFFAOYSA-N 0 3 240.282 0.582 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)CC1OCCO1 ZINC000793356651 586017127 /nfs/dbraw/zinc/01/71/27/586017127.db2.gz CDZRLPDWXZUSTA-JTQLQIEISA-N 0 3 242.319 0.302 20 0 BCADHN Cc1cc([C@@H](C)NC[C@@H](O)CN(C)C)n(C)n1 ZINC000793526783 586021595 /nfs/dbraw/zinc/02/15/95/586021595.db2.gz OCTZXFBDCQHRMW-GHMZBOCLSA-N 0 3 240.351 0.302 20 0 BCADHN Cc1cc([C@H](C)NCCC(=O)N(C)C)n(C)n1 ZINC000793522783 586021673 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/nfs/dbraw/zinc/06/17/06/586061706.db2.gz HYBRWUYFJOKEIV-AXTSPUMRSA-N 0 3 213.277 0.108 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCC(C)=O)C[C@@H]21 ZINC000794986521 586061739 /nfs/dbraw/zinc/06/17/39/586061739.db2.gz JDBOJUQVGNRJSB-MYJAWHEDSA-N 0 3 211.261 0.316 20 0 BCADHN C[C@H]1C[C@H](C)N1C(=S)NCCN(C)C ZINC000794998904 586062978 /nfs/dbraw/zinc/06/29/78/586062978.db2.gz MGZFSGLGPQONQK-IUCAKERBSA-N 0 3 215.366 0.905 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2ccnc(F)c2)C1 ZINC000859290386 589028610 /nfs/dbraw/zinc/02/86/10/589028610.db2.gz XJAWAJSSHBOYHN-GFCCVEGCSA-N 0 3 237.278 0.918 20 0 BCADHN C[C@H](O)CN1CCN(c2ccncc2)[C@H](C)C1 ZINC000795140553 586069337 /nfs/dbraw/zinc/06/93/37/586069337.db2.gz OVTQZSSHOUOQMN-NEPJUHHUSA-N 0 3 235.331 0.973 20 0 BCADHN C[C@@H]1CN(c2ccncc2)CCN1CCO ZINC000795143819 586069529 /nfs/dbraw/zinc/06/95/29/586069529.db2.gz NHDOKTNJPOHJHU-LLVKDONJSA-N 0 3 221.304 0.584 20 0 BCADHN CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(C)C ZINC000795169614 586070222 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/nfs/dbraw/zinc/16/11/35/586161135.db2.gz QKMRVVLOTWGKDS-BDAKNGLRSA-N 0 3 210.277 0.524 20 0 BCADHN C[C@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC000799126123 586161239 /nfs/dbraw/zinc/16/12/39/586161239.db2.gz YFNXBOKUPOTEHA-YIZRAAEISA-N 0 3 210.277 0.379 20 0 BCADHN CN(CCC1CC1)[C@@H]1CCC(=O)NC1=O ZINC000799142983 586161623 /nfs/dbraw/zinc/16/16/23/586161623.db2.gz FXAGKSGUZHLZAI-SECBINFHSA-N 0 3 210.277 0.524 20 0 BCADHN C[C@@H]1CCN([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC000799147136 586162339 /nfs/dbraw/zinc/16/23/39/586162339.db2.gz GWUXAKCQBUOSSF-BBBLOLIVSA-N 0 3 224.304 0.770 20 0 BCADHN CON(C)C(=O)CCN1CCOCC[C@@H]1C ZINC000799158579 586162668 /nfs/dbraw/zinc/16/26/68/586162668.db2.gz ODSYDOUIFQEODH-JTQLQIEISA-N 0 3 230.308 0.507 20 0 BCADHN CON(C)C(=O)CCN1CCN(C)[C@H](C)[C@H]1C ZINC000799151375 586163064 /nfs/dbraw/zinc/16/30/64/586163064.db2.gz XITYJJVLZQWUDW-GHMZBOCLSA-N 0 3 243.351 0.421 20 0 BCADHN CON(C)C(=O)CCN1CCN(C)[C@@H](C)[C@@H]1C ZINC000799151377 586163319 /nfs/dbraw/zinc/16/33/19/586163319.db2.gz XITYJJVLZQWUDW-QWRGUYRKSA-N 0 3 243.351 0.421 20 0 BCADHN CCN(CCC1CC1)[C@H]1CCC(=O)NC1=O ZINC000799165318 586163990 /nfs/dbraw/zinc/16/39/90/586163990.db2.gz UMONMXINCWGHLG-JTQLQIEISA-N 0 3 224.304 0.914 20 0 BCADHN C[C@@H]1CCN([C@H]2CCC(=O)NC2=O)CCS1 ZINC000799168281 586165075 /nfs/dbraw/zinc/16/50/75/586165075.db2.gz IVEICKOKONHHMU-BDAKNGLRSA-N 0 3 242.344 0.619 20 0 BCADHN OCCOCCN1CC[C@H](c2ccccn2)C1 ZINC000799191316 586166477 /nfs/dbraw/zinc/16/64/77/586166477.db2.gz YZYCTMMBKDQCRS-LBPRGKRZSA-N 0 3 236.315 0.880 20 0 BCADHN CC[C@H](O)CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000799301993 586170483 /nfs/dbraw/zinc/17/04/83/586170483.db2.gz XIWJVHDEIIAHRU-XQQFMLRXSA-N 0 3 242.363 0.288 20 0 BCADHN C[C@]1(O)CCN(C[C@@H](O)c2ccc(F)cn2)C1 ZINC000799305916 586170529 /nfs/dbraw/zinc/17/05/29/586170529.db2.gz OLWSEHUNMUQXFL-NEPJUHHUSA-N 0 3 240.278 0.711 20 0 BCADHN C[C@@H]1CN(C[C@H](O)c2ccc(F)cn2)C[C@@H]1O ZINC000799310946 586171195 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20 0 BCADHN CC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1CN ZINC000818532296 586898460 /nfs/dbraw/zinc/89/84/60/586898460.db2.gz XNZAPXKWHAJVIC-SECBINFHSA-N 0 3 226.320 0.941 20 0 BCADHN CCNCC(=O)NCC1(CCOC)CCC1 ZINC000818561844 586901740 /nfs/dbraw/zinc/90/17/40/586901740.db2.gz CZDGHFWCPSUQHS-UHFFFAOYSA-N 0 3 228.336 0.919 20 0 BCADHN CCNCC(=O)Nc1ccc(C)[nH]c1=O ZINC000818609556 586902752 /nfs/dbraw/zinc/90/27/52/586902752.db2.gz UUKNNRHCQHMNMW-UHFFFAOYSA-N 0 3 209.249 0.644 20 0 BCADHN CCC1(C(=O)NC[C@@H]2C[C@H](F)CN2)COC1 ZINC000818603700 586905197 /nfs/dbraw/zinc/90/51/97/586905197.db2.gz JQFGOAOQFTVNSR-IUCAKERBSA-N 0 3 230.283 0.229 20 0 BCADHN COC[C@H](O)CNCC[S@@](=O)C(C)(C)C ZINC000819056551 586928133 /nfs/dbraw/zinc/92/81/33/586928133.db2.gz MUGXXVFKKYBLHU-RFAUZJTJSA-N 0 3 237.365 0.131 20 0 BCADHN CON(C)C(=O)CCNCc1c[nH]nc1C ZINC000818948701 586916445 /nfs/dbraw/zinc/91/64/45/586916445.db2.gz GEIGBJKOLRETEN-UHFFFAOYSA-N 0 3 226.280 0.218 20 0 BCADHN CS(=O)(=O)CCNC[C@@H]1CC1(Cl)Cl 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/nfs/dbraw/zinc/20/78/15/587207815.db2.gz GEIAULUPBRKLOY-NEPJUHHUSA-N 0 3 212.337 0.783 20 0 BCADHN CN1CCCC[C@H]1C(=O)[N-]OCC[NH+](C)C ZINC000823255314 587211266 /nfs/dbraw/zinc/21/12/66/587211266.db2.gz SUNDUXVOFPQMHQ-JTQLQIEISA-N 0 3 229.324 0.080 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCOC1 ZINC000823288509 587214155 /nfs/dbraw/zinc/21/41/55/587214155.db2.gz KJSWXJYHVFOJOL-MNOVXSKESA-N 0 3 226.320 0.764 20 0 BCADHN C[N@@H+]1CC[C@H](CC(=O)[N-]OC2CCC2)C1 ZINC000823301903 587215013 /nfs/dbraw/zinc/21/50/13/587215013.db2.gz JKOBMIHRDWTZCA-SECBINFHSA-N 0 3 212.293 0.929 20 0 BCADHN C[N@H+]1CC[C@H](CC(=O)[N-]OC2CCC2)C1 ZINC000823301903 587215015 /nfs/dbraw/zinc/21/50/15/587215015.db2.gz JKOBMIHRDWTZCA-SECBINFHSA-N 0 3 212.293 0.929 20 0 BCADHN CCn1cc(-c2nc(N3CCNCC3)no2)cn1 ZINC000823334851 587216863 /nfs/dbraw/zinc/21/68/63/587216863.db2.gz NCHLPIZQSQTMKS-UHFFFAOYSA-N 0 3 248.290 0.363 20 0 BCADHN COCCCCc1nc(N2CCNCC2)no1 ZINC000823334531 587216898 /nfs/dbraw/zinc/21/68/98/587216898.db2.gz HEDDQORBGSTBTG-UHFFFAOYSA-N 0 3 240.307 0.448 20 0 BCADHN CCO[C@H](C)c1nc(N2CCNCC2)no1 ZINC000823347757 587217395 /nfs/dbraw/zinc/21/73/95/587217395.db2.gz WCDVMORQHHDMRB-MRVPVSSYSA-N 0 3 226.280 0.577 20 0 BCADHN O[C@@H]1CC[C@@H]2CN(CC3OCCO3)C[C@@H]2C1 ZINC000823569863 587231801 /nfs/dbraw/zinc/23/18/01/587231801.db2.gz LMMXHVKJKUMEFH-OUAUKWLOSA-N 0 3 227.304 0.452 20 0 BCADHN O=C(NC[C@H](O)CN1CCCCC1)C1(F)CC1 ZINC000823728032 587237911 /nfs/dbraw/zinc/23/79/11/587237911.db2.gz REAAEVLGUWYSEV-JTQLQIEISA-N 0 3 244.310 0.452 20 0 BCADHN COC(=O)N1CC(N[C@@H]2CSC[C@@H]2C)C1 ZINC000824012062 587247979 /nfs/dbraw/zinc/24/79/79/587247979.db2.gz NSUBYACADWKJTG-IONNQARKSA-N 0 3 230.333 0.778 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H](O)C1 ZINC000824115216 587256283 /nfs/dbraw/zinc/25/62/83/587256283.db2.gz OAVGRAKIBRYGQM-NEPJUHHUSA-N 0 3 240.347 0.843 20 0 BCADHN COC(OC)C(=O)N(C)CCN1CCCCC1 ZINC000824253291 587263299 /nfs/dbraw/zinc/26/32/99/587263299.db2.gz NARQDUNSXHSACE-UHFFFAOYSA-N 0 3 244.335 0.550 20 0 BCADHN CC(C)N1CCC([NH2+]C2CN(C(=O)[O-])C2)CC1 ZINC000824362535 587267905 /nfs/dbraw/zinc/26/79/05/587267905.db2.gz DZCUZNMLQUVMOV-UHFFFAOYSA-N 0 3 241.335 0.811 20 0 BCADHN CC[C@@H](C(=O)NCCCN(C)OC)N(C)C ZINC000824541664 587274732 /nfs/dbraw/zinc/27/47/32/587274732.db2.gz AGNQOEJJJMJJSO-JTQLQIEISA-N 0 3 231.340 0.326 20 0 BCADHN C[C@]1(NC(=O)[C@@H]2CCOC2)CN2CCC1CC2 ZINC000824902664 587292304 /nfs/dbraw/zinc/29/23/04/587292304.db2.gz ZIRRKIFONNHYKZ-MFKMUULPSA-N 0 3 238.331 0.623 20 0 BCADHN CC[C@H]1CN(CC)CCN1Cc1cnn(C)n1 ZINC000825005463 587297942 /nfs/dbraw/zinc/29/79/42/587297942.db2.gz LLFWYIGBVNTOEX-LBPRGKRZSA-N 0 3 237.351 0.731 20 0 BCADHN CC[C@@H]1CN(CC)CCN1Cc1cnn(C)n1 ZINC000825005462 587298144 /nfs/dbraw/zinc/29/81/44/587298144.db2.gz LLFWYIGBVNTOEX-GFCCVEGCSA-N 0 3 237.351 0.731 20 0 BCADHN CN(CC1CN(C)C1)C(=O)/C=C/c1cn(C)cn1 ZINC000825180373 587308438 /nfs/dbraw/zinc/30/84/38/587308438.db2.gz ICHUJUJGARYOPN-SNAWJCMRSA-N 0 3 248.330 0.453 20 0 BCADHN CC(C)N1CC[C@@H](N(C)Cc2cnn(C)n2)C1 ZINC000825338875 587316005 /nfs/dbraw/zinc/31/60/05/587316005.db2.gz WROJYHIMTFHSQG-GFCCVEGCSA-N 0 3 237.351 0.730 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC000825566935 587325613 /nfs/dbraw/zinc/32/56/13/587325613.db2.gz CFLOBDKWXIOZLF-SNVBAGLBSA-N 0 3 236.319 0.505 20 0 BCADHN CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2OC)C1 ZINC000825625080 587327842 /nfs/dbraw/zinc/32/78/42/587327842.db2.gz FNLWRIHCUXZYNI-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN CCC[C@H](O)C(=O)N[C@H]1CCN(CCC)C1 ZINC000825626479 587328051 /nfs/dbraw/zinc/32/80/51/587328051.db2.gz UVRQTASMGGHFKJ-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN CC1=NO[C@H](C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000825748514 587336257 /nfs/dbraw/zinc/33/62/57/587336257.db2.gz DDRAVJDJJXDGEQ-ONGXEEELSA-N 0 3 239.319 0.750 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H]1COc2ccccc2C1 ZINC000825994095 587347987 /nfs/dbraw/zinc/34/79/87/587347987.db2.gz GRFPOZRLQBTRJA-ZJUUUORDSA-N 0 3 234.299 0.701 20 0 BCADHN Cc1cc(NCCNc2ccn(C)n2)nc(N)n1 ZINC000826015608 587348591 /nfs/dbraw/zinc/34/85/91/587348591.db2.gz CQBOURHHWPQURP-UHFFFAOYSA-N 0 3 247.306 0.625 20 0 BCADHN Cc1nn(C)c2ncc(NC(=O)[C@@H]3C[C@@H]3N)cc12 ZINC000826554096 587354897 /nfs/dbraw/zinc/35/48/97/587354897.db2.gz GLDJIVBEADBDMH-ZJUUUORDSA-N 0 3 245.286 0.562 20 0 BCADHN O=C(CO)NC[C@@H]1CCN1C1CCCCCC1 ZINC000826667921 587358541 /nfs/dbraw/zinc/35/85/41/587358541.db2.gz QCBDVXCNOLEKAT-LBPRGKRZSA-N 0 3 240.347 0.892 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000826761826 587361324 /nfs/dbraw/zinc/36/13/24/587361324.db2.gz BGTFVQBNBFLDAN-GMTAPVOTSA-N 0 3 226.320 0.478 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2cc(=O)cc[nH]2)CCN1 ZINC000826763679 587361398 /nfs/dbraw/zinc/36/13/98/587361398.db2.gz RFHRRQOQNWPEIP-GFCCVEGCSA-N 0 3 249.314 0.445 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)CC2(C)COC2)CCN1 ZINC000826765033 587361615 /nfs/dbraw/zinc/36/16/15/587361615.db2.gz YOBIKMINZPYSRC-NSHDSACASA-N 0 3 240.347 0.869 20 0 BCADHN O=C(Cc1ncc[nH]1)N[C@H]1CCN(CC2CC2)C1 ZINC000826866810 587364574 /nfs/dbraw/zinc/36/45/74/587364574.db2.gz DZWOAYVZGDLTRC-NSHDSACASA-N 0 3 248.330 0.553 20 0 BCADHN CC1=NO[C@H](C(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000826877944 587364756 /nfs/dbraw/zinc/36/47/56/587364756.db2.gz OTLQJQFWRYABFC-QWRGUYRKSA-N 0 3 239.319 0.609 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)C1(n2cccn2)CC1 ZINC000827137254 587370852 /nfs/dbraw/zinc/37/08/52/587370852.db2.gz WBGXCGHHWWJIPM-LLVKDONJSA-N 0 3 248.330 0.583 20 0 BCADHN CCN1CC[C@@H](C[NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000827207215 587372774 /nfs/dbraw/zinc/37/27/74/587372774.db2.gz MBCNJZWQJLBKOI-WDEREUQCSA-N 0 3 241.335 0.670 20 0 BCADHN CC[N@@H+]1CC[C@@H](CN[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000827207215 587372775 /nfs/dbraw/zinc/37/27/75/587372775.db2.gz MBCNJZWQJLBKOI-WDEREUQCSA-N 0 3 241.335 0.670 20 0 BCADHN CC[N@H+]1CC[C@@H](CN[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000827207215 587372776 /nfs/dbraw/zinc/37/27/76/587372776.db2.gz MBCNJZWQJLBKOI-WDEREUQCSA-N 0 3 241.335 0.670 20 0 BCADHN CC(=O)CCC(=O)N1CC[C@H]2[C@@H](CCN2C)C1 ZINC000827374314 587379008 /nfs/dbraw/zinc/37/90/08/587379008.db2.gz NHFYTTIUCIILMX-RYUDHWBXSA-N 0 3 238.331 0.908 20 0 BCADHN CN(Cc1ccccn1)C(=O)[C@]1(F)CCNC1 ZINC000827383090 587379287 /nfs/dbraw/zinc/37/92/87/587379287.db2.gz ZRZQAFUEGYGLSX-LBPRGKRZSA-N 0 3 237.278 0.742 20 0 BCADHN Cc1cccc(CNC(=O)[C@]2(F)CCNC2)n1 ZINC000827409826 587380135 /nfs/dbraw/zinc/38/01/35/587380135.db2.gz NKRGXZLZGQLJTJ-LBPRGKRZSA-N 0 3 237.278 0.708 20 0 BCADHN C[C@@H](N)C(=O)N(C)Cc1cccc(C(N)=O)c1 ZINC000827513736 587384951 /nfs/dbraw/zinc/38/49/51/587384951.db2.gz PMGZVONPEVOWQK-MRVPVSSYSA-N 0 3 235.287 0.091 20 0 BCADHN CC1=NO[C@H](C(=O)NC[C@H]2CCCN2C)C1 ZINC000827549579 587387192 /nfs/dbraw/zinc/38/71/92/587387192.db2.gz OVNHGSCUCWGSRO-ZJUUUORDSA-N 0 3 225.292 0.362 20 0 BCADHN CC1=NO[C@H](C(=O)NC[C@@H]2CCCN2C)C1 ZINC000827549577 587387269 /nfs/dbraw/zinc/38/72/69/587387269.db2.gz OVNHGSCUCWGSRO-UWVGGRQHSA-N 0 3 225.292 0.362 20 0 BCADHN CC(C)C1(C(=O)NC[C@@H]2CCCN2C)COC1 ZINC000827626654 587392701 /nfs/dbraw/zinc/39/27/01/587392701.db2.gz XWMXPYRVNLSDBI-NSHDSACASA-N 0 3 240.347 0.869 20 0 BCADHN Cn1cnc(/C=C/C(=O)NC[C@@H]2CCCN2C)c1 ZINC000827626235 587392728 /nfs/dbraw/zinc/39/27/28/587392728.db2.gz UKPYHIVNHDGFRG-FYJFLYSWSA-N 0 3 248.330 0.644 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000827704515 587398038 /nfs/dbraw/zinc/39/80/38/587398038.db2.gz MAMQOISZMWBTRX-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CCN(CCC[C@@H]1CCOC1)CC(=O)NC ZINC000827803316 587403304 /nfs/dbraw/zinc/40/33/04/587403304.db2.gz PNIULIIFZCOKAW-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN O=CN1CCCN(C[C@@H]2CCC=CO2)CC1 ZINC000827871838 587406459 /nfs/dbraw/zinc/40/64/59/587406459.db2.gz JBTYKWTXJVEIGN-LBPRGKRZSA-N 0 3 224.304 0.843 20 0 BCADHN C[NH+](C)CCC1CCN(CCNC(=O)[O-])CC1 ZINC000828023933 587416598 /nfs/dbraw/zinc/41/65/98/587416598.db2.gz IPYAKKSGDGWACT-UHFFFAOYSA-N 0 3 243.351 0.918 20 0 BCADHN CN(CC[S@@](C)=O)CC1CCOCC1 ZINC000828122872 587420259 /nfs/dbraw/zinc/42/02/59/587420259.db2.gz PMUONDYWVUMNSQ-CQSZACIVSA-N 0 3 219.350 0.723 20 0 BCADHN CCCONC(=O)NC[C@H]1CCCN1C ZINC000828262893 587429184 /nfs/dbraw/zinc/42/91/84/587429184.db2.gz DKXUXWYXYROTFE-SECBINFHSA-N 0 3 215.297 0.721 20 0 BCADHN CCCONC(=O)NC[C@H]1CCCN(C)C1 ZINC000828268062 587429306 /nfs/dbraw/zinc/42/93/06/587429306.db2.gz COEALWKHFOTGIX-SNVBAGLBSA-N 0 3 229.324 0.969 20 0 BCADHN CCc1nc(CNc2nccc(N(C)C)n2)n[nH]1 ZINC000828268608 587429503 /nfs/dbraw/zinc/42/95/03/587429503.db2.gz YBQYHDDOXRAUPA-UHFFFAOYSA-N 0 3 247.306 0.835 20 0 BCADHN CCCONC(=O)NCC1(O)CCN(C)CC1 ZINC000828277131 587430744 /nfs/dbraw/zinc/43/07/44/587430744.db2.gz HTRVGQKBMXXVHN-UHFFFAOYSA-N 0 3 245.323 0.084 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[C@@H]1O ZINC000828280948 587430938 /nfs/dbraw/zinc/43/09/38/587430938.db2.gz JQBCJYJGVNBJGS-SRVKXCTJSA-N 0 3 240.347 0.889 20 0 BCADHN CN(CCN(C)C1CC1)CC[S@@](C)=O ZINC000828283753 587431591 /nfs/dbraw/zinc/43/15/91/587431591.db2.gz ZCIQKCQFBXPFLC-CQSZACIVSA-N 0 3 218.366 0.391 20 0 BCADHN CCC[C@H](O)CNC1(C(=O)NC)CCCC1 ZINC000828305265 587433530 /nfs/dbraw/zinc/43/35/30/587433530.db2.gz HYPNIFNKAVAORP-JTQLQIEISA-N 0 3 228.336 0.796 20 0 BCADHN CCC[C@@H](O)CNC1(C(=O)NC)CCCC1 ZINC000828305268 587433588 /nfs/dbraw/zinc/43/35/88/587433588.db2.gz HYPNIFNKAVAORP-SNVBAGLBSA-N 0 3 228.336 0.796 20 0 BCADHN CCC[C@@H](O)CN1CCCC2(C1)OCCO2 ZINC000828420084 587441408 /nfs/dbraw/zinc/44/14/08/587441408.db2.gz BWUMWVILYHNGGU-LLVKDONJSA-N 0 3 229.320 0.986 20 0 BCADHN C[C@@H]1[C@@H](N2CCCC2)CCN1CC[S@](C)=O ZINC000828540703 587449213 /nfs/dbraw/zinc/44/92/13/587449213.db2.gz DGARHCKXVJOYDM-WQGACYEGSA-N 0 3 244.404 0.924 20 0 BCADHN C[C@@H]1[C@H](N2CCCC2)CCN1CC[S@@](C)=O ZINC000828540786 587449493 /nfs/dbraw/zinc/44/94/93/587449493.db2.gz DGARHCKXVJOYDM-XHBSWPGZSA-N 0 3 244.404 0.924 20 0 BCADHN C[S@@](=O)CCN1CC[C@@H](O)C12CCCC2 ZINC000828575855 587450839 /nfs/dbraw/zinc/45/08/39/587450839.db2.gz QYHFVMSTKSYGCV-MEBBXXQBSA-N 0 3 231.361 0.744 20 0 BCADHN CON1CCC(N(C)CC[S@@](C)=O)CC1 ZINC000828615570 587453796 /nfs/dbraw/zinc/45/37/96/587453796.db2.gz PVZCZPJVTYDHSC-OAHLLOKOSA-N 0 3 234.365 0.323 20 0 BCADHN C[S@@](=O)CCN1CCCC[C@@H]1C1(O)CC1 ZINC000828615336 587453920 /nfs/dbraw/zinc/45/39/20/587453920.db2.gz PHKJGMFSCRHOAS-MEBBXXQBSA-N 0 3 231.361 0.744 20 0 BCADHN C[S@@](=O)CCN1CC[C@H](O)CC12CCC2 ZINC000828634070 587455030 /nfs/dbraw/zinc/45/50/30/587455030.db2.gz ZTXFVQVYZPATPE-ZUZCIYMTSA-N 0 3 231.361 0.744 20 0 BCADHN C[S@](=O)CCN1CC[C@H](O)CC12CCC2 ZINC000828634068 587455284 /nfs/dbraw/zinc/45/52/84/587455284.db2.gz ZTXFVQVYZPATPE-BONVTDFDSA-N 0 3 231.361 0.744 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)c1ccnn1C ZINC000828947164 587474594 /nfs/dbraw/zinc/47/45/94/587474594.db2.gz MVZBVRBYEIDVDG-JTQLQIEISA-N 0 3 238.335 0.939 20 0 BCADHN CC[C@](C)(O)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000828958225 587475360 /nfs/dbraw/zinc/47/53/60/587475360.db2.gz BGAIRQGYYXYNAF-GVXVVHGQSA-N 0 3 240.347 0.843 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)c1ccnn1C ZINC000828954378 587475402 /nfs/dbraw/zinc/47/54/02/587475402.db2.gz TUKTZRZQEMBKJP-SNVBAGLBSA-N 0 3 238.335 0.939 20 0 BCADHN CCC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000828959767 587476130 /nfs/dbraw/zinc/47/61/30/587476130.db2.gz PBFIAEPXMRINIV-SRVKXCTJSA-N 0 3 240.347 0.843 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000828959403 587476140 /nfs/dbraw/zinc/47/61/40/587476140.db2.gz NCAXCXHUVZBFSQ-WRWGMCAJSA-N 0 3 238.331 0.716 20 0 BCADHN O=C(NCCc1cscn1)[C@@]1(F)CCNC1 ZINC000828974863 587477130 /nfs/dbraw/zinc/47/71/30/587477130.db2.gz YHEFAQMECHYCJL-SNVBAGLBSA-N 0 3 243.307 0.503 20 0 BCADHN C[C@H](CO)N(CC[S@@](C)=O)CC1CCC1 ZINC000829367894 587494470 /nfs/dbraw/zinc/49/44/70/587494470.db2.gz WTASHHHGRWAZSQ-MEBBXXQBSA-N 0 3 233.377 0.848 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)CC(C)C)[nH]n1 ZINC000829500876 587501134 /nfs/dbraw/zinc/50/11/34/587501134.db2.gz SGTDCEHWFWGWGQ-NSHDSACASA-N 0 3 238.335 0.962 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)CC(C)C)n[nH]1 ZINC000829500876 587501136 /nfs/dbraw/zinc/50/11/36/587501136.db2.gz SGTDCEHWFWGWGQ-NSHDSACASA-N 0 3 238.335 0.962 20 0 BCADHN Cc1cc(N2CC[C@H](CCCO)C2)nc(N)n1 ZINC000829576603 587504481 /nfs/dbraw/zinc/50/44/81/587504481.db2.gz DPQPJTYNGQVVRJ-JTQLQIEISA-N 0 3 236.319 0.966 20 0 BCADHN CC1(C)CN(C(=O)Cc2ncc[nH]2)CCN1 ZINC000829582730 587504624 /nfs/dbraw/zinc/50/46/24/587504624.db2.gz MSAFTSPZLSPEEU-UHFFFAOYSA-N 0 3 222.292 0.163 20 0 BCADHN Cc1nc(CNC(=O)c2cccc(CN)c2)no1 ZINC000829733847 587512057 /nfs/dbraw/zinc/51/20/57/587512057.db2.gz XYFMQALXQOZJFI-UHFFFAOYSA-N 0 3 246.270 0.767 20 0 BCADHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@H](C)N ZINC000829799143 587517413 /nfs/dbraw/zinc/51/74/13/587517413.db2.gz KPKMBOXRZDEQTL-WRWORJQWSA-N 0 3 234.303 0.626 20 0 BCADHN C[C@H](C(=O)N1CC=C(N)N1)N1[C@H](C)CC[C@H]1C ZINC000829831219 587521033 /nfs/dbraw/zinc/52/10/33/587521033.db2.gz JKHUMZCIHUJMGW-OPRDCNLKSA-N 0 3 238.335 0.395 20 0 BCADHN CN(CCC(=O)N1CC=C(N)N1)c1ccncc1 ZINC000829840782 587522464 /nfs/dbraw/zinc/52/24/64/587522464.db2.gz PITYJRJDNZHRDH-UHFFFAOYSA-N 0 3 247.302 0.055 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)CN1C1CC1 ZINC000829864002 587525813 /nfs/dbraw/zinc/52/58/13/587525813.db2.gz UZQGRJGWASYZRT-VHSXEESVSA-N 0 3 248.330 0.694 20 0 BCADHN CC[C@H](N)C(=O)NCCNc1ccccc1 ZINC000830007713 587531821 /nfs/dbraw/zinc/53/18/21/587531821.db2.gz ZUCBKSMNSBPNTI-NSHDSACASA-N 0 3 221.304 0.952 20 0 BCADHN CC(=O)CCN1CC[C@@H](CN2CCOC2=O)C1 ZINC000830095439 587535707 /nfs/dbraw/zinc/53/57/07/587535707.db2.gz QPHUDXFDNXANNM-LLVKDONJSA-N 0 3 240.303 0.740 20 0 BCADHN CCn1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)nn1 ZINC000830111150 587536467 /nfs/dbraw/zinc/53/64/67/587536467.db2.gz LUXAVELMFXZEJL-DTWKUNHWSA-N 0 3 237.307 0.120 20 0 BCADHN CC[C@](C)(O)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000830118114 587536744 /nfs/dbraw/zinc/53/67/44/587536744.db2.gz VRFOBDAHCZAPAM-YWVKMMECSA-N 0 3 214.309 0.356 20 0 BCADHN CC[C@](C)(O)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000830118112 587537227 /nfs/dbraw/zinc/53/72/27/587537227.db2.gz VRFOBDAHCZAPAM-NGZCFLSTSA-N 0 3 214.309 0.356 20 0 BCADHN CC(=O)NCCN(C)CCC(=O)N1CCCC1 ZINC000830148241 587537833 /nfs/dbraw/zinc/53/78/33/587537833.db2.gz NITBJQXQEGCWLV-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N1CCOCN1 ZINC000830232262 587540644 /nfs/dbraw/zinc/54/06/44/587540644.db2.gz LKNSMBCOIHZTEZ-JTQLQIEISA-N 0 3 227.308 0.180 20 0 BCADHN CN(C)C(=O)O[C@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000830493392 587554710 /nfs/dbraw/zinc/55/47/10/587554710.db2.gz ZHTRQCWOGQMGSS-QWRGUYRKSA-N 0 3 242.319 0.938 20 0 BCADHN C[C@H](CO)CN1CC[C@H](OC(=O)N(C)C)C1 ZINC000830509419 587555092 /nfs/dbraw/zinc/55/50/92/587555092.db2.gz ISPXRFKZAXGUTK-UWVGGRQHSA-N 0 3 230.308 0.387 20 0 BCADHN C[C@@H](CO)CN1CCC[C@H](OC(=O)N(C)C)C1 ZINC000830584063 587558988 /nfs/dbraw/zinc/55/89/88/587558988.db2.gz BGFBBXWDZFLFLM-MNOVXSKESA-N 0 3 244.335 0.777 20 0 BCADHN CCN(C)C(=O)[C@@H](NCC1OCCO1)C(C)C ZINC000830868385 587574709 /nfs/dbraw/zinc/57/47/09/587574709.db2.gz BZELHMVFAXFVJP-NSHDSACASA-N 0 3 244.335 0.452 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@]1(F)CCNC1 ZINC000831161033 587588606 /nfs/dbraw/zinc/58/86/06/587588606.db2.gz NXKWNTAVBOLLKK-KOLCDFICSA-N 0 3 232.299 0.355 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NCCC1CCC1 ZINC000831184828 587590144 /nfs/dbraw/zinc/59/01/44/587590144.db2.gz WHIQVKLJZNVRKH-SNVBAGLBSA-N 0 3 242.319 0.573 20 0 BCADHN O=C(N1CC[C@@]2(CCOC2)C1)[C@@]1(F)CCNC1 ZINC000831217542 587592383 /nfs/dbraw/zinc/59/23/83/587592383.db2.gz BITDRAWZLYGQBO-VXGBXAGGSA-N 0 3 242.294 0.327 20 0 BCADHN CC[C@@H](C[C@@H](C)O)NC(=O)CN(C)C(C)C ZINC000831261999 587594226 /nfs/dbraw/zinc/59/42/26/587594226.db2.gz WIYYNCAOZKVNME-MNOVXSKESA-N 0 3 230.352 0.992 20 0 BCADHN C[C@H](C[C@H]1CCOC1)NC(=O)[C@@]1(F)CCNC1 ZINC000831299204 587596302 /nfs/dbraw/zinc/59/63/02/587596302.db2.gz PFTUALGZMRPWDP-CKYFFXLPSA-N 0 3 244.310 0.619 20 0 BCADHN CC[C@@H](C[C@H](C)O)NC(=O)Cc1nc[nH]c1C ZINC000831311406 587597851 /nfs/dbraw/zinc/59/78/51/587597851.db2.gz OCJMYIKTYCLUIP-WPRPVWTQSA-N 0 3 239.319 0.926 20 0 BCADHN Cc1cc(NC(=O)[C@]2(F)CCNC2)nn1C ZINC000831431919 587606567 /nfs/dbraw/zinc/60/65/67/587606567.db2.gz UPBCUAUEACHMOT-JTQLQIEISA-N 0 3 226.255 0.369 20 0 BCADHN C[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)[C@@H](C)CN1 ZINC000831539943 587617504 /nfs/dbraw/zinc/61/75/04/587617504.db2.gz BLSGSPPQTVWCFD-UWVGGRQHSA-N 0 3 235.287 0.142 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc[n+]([O-])c2)[C@H](C)CN1 ZINC000831540048 587617741 /nfs/dbraw/zinc/61/77/41/587617741.db2.gz FWHLGKOINZJJEA-NXEZZACHSA-N 0 3 235.287 0.142 20 0 BCADHN C[C@@H]1CN(C(=O)c2ncccn2)[C@H](C)CN1 ZINC000831539967 587617804 /nfs/dbraw/zinc/61/78/04/587617804.db2.gz CDCUEHJNROSHLJ-RKDXNWHRSA-N 0 3 220.276 0.299 20 0 BCADHN CCC1(C(=O)N2CCN[C@@H](C(C)C)C2)COC1 ZINC000831592846 587622221 /nfs/dbraw/zinc/62/22/21/587622221.db2.gz GGUXLEHPEMMRQO-LLVKDONJSA-N 0 3 240.347 0.869 20 0 BCADHN CCO[C@@H](CNC(=O)[C@@H](CC)CO)CN(C)C ZINC000831708941 587628615 /nfs/dbraw/zinc/62/86/15/587628615.db2.gz VOWLFMYXJACYQZ-QWRGUYRKSA-N 0 3 246.351 0.088 20 0 BCADHN CCO[C@H](CNC(=O)[C@@H]1C[C@H]1C)CN(C)C ZINC000831724697 587629262 /nfs/dbraw/zinc/62/92/62/587629262.db2.gz RBKNSVCUDGXTOA-GMTAPVOTSA-N 0 3 228.336 0.725 20 0 BCADHN CCO[C@H](CNC(=O)/C=C/SC)CN(C)C ZINC000831737636 587629529 /nfs/dbraw/zinc/62/95/29/587629529.db2.gz JOPAGZQRKNVTAS-VQCYPWCPSA-N 0 3 246.376 0.946 20 0 BCADHN CCO[C@@H](CNC(=O)C[C@@H](C)OC)CN(C)C ZINC000831751225 587629590 /nfs/dbraw/zinc/62/95/90/587629590.db2.gz GRWMCWTXMGSTMO-MNOVXSKESA-N 0 3 246.351 0.494 20 0 BCADHN CCO[C@H](CNC(=O)[C@H]1CCCO1)CN(C)C ZINC000831739277 587629609 /nfs/dbraw/zinc/62/96/09/587629609.db2.gz VIPXXNGYQFVAPX-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN CCOCCC(=O)NC[C@H](CN(C)C)OCC ZINC000831750971 587629765 /nfs/dbraw/zinc/62/97/65/587629765.db2.gz CCAROSWYUBDMHR-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN CCO[C@H](CNC(=O)C1(C)CC1)CN(C)C ZINC000831737862 587629927 /nfs/dbraw/zinc/62/99/27/587629927.db2.gz MEBISKUJYVFQBU-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CCO[C@@H](CNC(=O)[C@H]1CCOC1)CN(C)C ZINC000831758568 587630133 /nfs/dbraw/zinc/63/01/33/587630133.db2.gz ZLRPPTGHYRZXJQ-QWRGUYRKSA-N 0 3 244.335 0.106 20 0 BCADHN CCO[C@@H](CNC(=O)c1ccon1)CN(C)C ZINC000831757425 587630181 /nfs/dbraw/zinc/63/01/81/587630181.db2.gz PPOJOYGAEXLHKZ-VIFPVBQESA-N 0 3 241.291 0.371 20 0 BCADHN CCO[C@H](CNC(=O)[C@H](C)OC)CN(C)C ZINC000831756387 587630544 /nfs/dbraw/zinc/63/05/44/587630544.db2.gz HPUOIIDUXCWXFP-VHSXEESVSA-N 0 3 232.324 0.104 20 0 BCADHN CCO[C@H](CNC(=O)c1ccon1)CN(C)C ZINC000831757423 587630571 /nfs/dbraw/zinc/63/05/71/587630571.db2.gz PPOJOYGAEXLHKZ-SECBINFHSA-N 0 3 241.291 0.371 20 0 BCADHN CCO[C@@H](CNC(=O)c1ccc[nH]1)CN(C)C ZINC000831771484 587631560 /nfs/dbraw/zinc/63/15/60/587631560.db2.gz MAWKNRZXAYKTNT-JTQLQIEISA-N 0 3 239.319 0.711 20 0 BCADHN Cc1ncc(NC(=O)[C@]2(F)CCNC2)cn1 ZINC000831906246 587636163 /nfs/dbraw/zinc/63/61/63/587636163.db2.gz ZVCWUCLSZCHNIH-JTQLQIEISA-N 0 3 224.239 0.425 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@H]1NCC1(C)C ZINC000831916108 587636270 /nfs/dbraw/zinc/63/62/70/587636270.db2.gz HRNJFWXISLMWGC-SNVBAGLBSA-N 0 3 242.319 0.444 20 0 BCADHN O=C([O-])N1CC[C@H](NCCC[NH+]2CCCC2)C1 ZINC000831953342 587638501 /nfs/dbraw/zinc/63/85/01/587638501.db2.gz IARKLQVYRFXCMR-NSHDSACASA-N 0 3 241.335 0.814 20 0 BCADHN O=C([O-])N1CC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000831953342 587638503 /nfs/dbraw/zinc/63/85/03/587638503.db2.gz IARKLQVYRFXCMR-NSHDSACASA-N 0 3 241.335 0.814 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)[C@H](N)CC(F)F ZINC000831970396 587640041 /nfs/dbraw/zinc/64/00/41/587640041.db2.gz FYXCRZLRRPBKLA-DTWKUNHWSA-N 0 3 249.305 0.569 20 0 BCADHN CCC(=O)CCN1C[C@@H](O)[C@H](OC)C1 ZINC000832008123 587642456 /nfs/dbraw/zinc/64/24/56/587642456.db2.gz VASRMZIJKOHVPB-NXEZZACHSA-N 0 3 201.266 0.047 20 0 BCADHN CO[C@@H]1CN(CCC(=O)C(C)C)C[C@H]1O ZINC000832012153 587642782 /nfs/dbraw/zinc/64/27/82/587642782.db2.gz NBVSDAKQFVFWFZ-GHMZBOCLSA-N 0 3 215.293 0.293 20 0 BCADHN CNCC(=O)N[C@H](C)[C@H](O)c1cccc(F)c1 ZINC000832122729 587645394 /nfs/dbraw/zinc/64/53/94/587645394.db2.gz SIBTXFVIYAICPO-PELKAZGASA-N 0 3 240.278 0.583 20 0 BCADHN CC1(C)C[C@@H](O)CCN(CC2OCCO2)C1 ZINC000832153124 587646582 /nfs/dbraw/zinc/64/65/82/587646582.db2.gz ORBZLJCECIYVKE-JTQLQIEISA-N 0 3 229.320 0.842 20 0 BCADHN O=C(NCC(F)(F)C(F)F)[C@@]1(F)CCNC1 ZINC000832172796 587648161 /nfs/dbraw/zinc/64/81/61/587648161.db2.gz JMHHQYQASFLSNB-SSDOTTSWSA-N 0 3 246.179 0.705 20 0 BCADHN CC1(C)COC[C@@H]1NCC1OCCO1 ZINC000832170133 587648187 /nfs/dbraw/zinc/64/81/87/587648187.db2.gz GWPHOIYEJMQPSF-QMMMGPOBSA-N 0 3 201.266 0.374 20 0 BCADHN CCc1nn(C)cc1NC(=O)[C@]1(F)CCNC1 ZINC000832182000 587648580 /nfs/dbraw/zinc/64/85/80/587648580.db2.gz BNRGTPQAVXTWAQ-NSHDSACASA-N 0 3 240.282 0.623 20 0 BCADHN CC[C@@H](C)N1CCN(CC(=O)N(C)OC)CC1 ZINC000832187134 587649345 /nfs/dbraw/zinc/64/93/45/587649345.db2.gz IZWSMRBXCHTTRR-LLVKDONJSA-N 0 3 243.351 0.422 20 0 BCADHN O=C(Nc1nc(C2CC2)c[nH]1)[C@@]1(F)CCNC1 ZINC000832189971 587649681 /nfs/dbraw/zinc/64/96/81/587649681.db2.gz CDMWIEGOTNQFDF-LLVKDONJSA-N 0 3 238.266 0.927 20 0 BCADHN C[NH2+][C@H]1CCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000832250408 587652221 /nfs/dbraw/zinc/65/22/21/587652221.db2.gz PUYHWVPTHMQNSO-VIFPVBQESA-N 0 3 235.287 0.408 20 0 BCADHN CCN(CCO)CCNC(=O)C(C)(C)SC ZINC000832301849 587653875 /nfs/dbraw/zinc/65/38/75/587653875.db2.gz JZGOGNDDUJJXIQ-UHFFFAOYSA-N 0 3 248.392 0.558 20 0 BCADHN Nc1ccc(C(=O)N[C@H]2CC[NH2+]C2)c([O-])c1 ZINC000832404555 587658115 /nfs/dbraw/zinc/65/81/15/587658115.db2.gz ZZIDOZSXURAGRN-QMMMGPOBSA-N 0 3 221.260 0.066 20 0 BCADHN CCC[C@@H](O)CCNC(=O)[C@@H](CC)N(C)C ZINC000832657083 587674542 /nfs/dbraw/zinc/67/45/42/587674542.db2.gz NCPWPCGWBXIZKE-GHMZBOCLSA-N 0 3 230.352 0.994 20 0 BCADHN CN(C(=O)c1ccc(N)cc1[O-])[C@@H]1CC[NH2+]C1 ZINC000832662327 587675098 /nfs/dbraw/zinc/67/50/98/587675098.db2.gz MDAKQKCNVMQJLK-SECBINFHSA-N 0 3 235.287 0.408 20 0 BCADHN CO[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC000832720955 587679512 /nfs/dbraw/zinc/67/95/12/587679512.db2.gz JYIOLWBRYBLJET-SNVBAGLBSA-N 0 3 242.319 0.302 20 0 BCADHN O=C([O-])NCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000834236965 587749506 /nfs/dbraw/zinc/74/95/06/587749506.db2.gz BFXDYIAXXHJOSB-QWRGUYRKSA-N 0 3 241.335 0.861 20 0 BCADHN O=C([O-])NCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000834236965 587749507 /nfs/dbraw/zinc/74/95/07/587749507.db2.gz BFXDYIAXXHJOSB-QWRGUYRKSA-N 0 3 241.335 0.861 20 0 BCADHN C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000834635870 587762269 /nfs/dbraw/zinc/76/22/69/587762269.db2.gz KTYTVLWBOJAVDP-KWQFWETISA-N 0 3 249.314 0.702 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2ccc(N)cc2[O-])CC[NH2+]1 ZINC000834678296 587763815 /nfs/dbraw/zinc/76/38/15/587763815.db2.gz UFBBYCHWLMFRDI-WCBMZHEXSA-N 0 3 249.314 0.845 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1C[C@H](O)C1)N(CC)CC ZINC000834767458 587766589 /nfs/dbraw/zinc/76/65/89/587766589.db2.gz ZPNSCUSPFMPFAI-SRVKXCTJSA-N 0 3 242.363 0.994 20 0 BCADHN O[C@H]1C[C@@H](N[C@@H]2CCCc3n[nH]cc32)C1 ZINC000834904648 587769820 /nfs/dbraw/zinc/76/98/20/587769820.db2.gz APHRNXFSAWGMBA-KHQFGBGNSA-N 0 3 207.277 0.900 20 0 BCADHN CS[C@H](C)COC(=O)C1CCN(C)C1=O ZINC000835686180 587812925 /nfs/dbraw/zinc/81/29/25/587812925.db2.gz SGQVLVWOAVAJJH-SFYZADRCSA-N 0 3 231.317 0.759 20 0 BCADHN CC(=O)C(C)(C)COC(=O)C1CCN(C)C1=O ZINC000835912192 587821177 /nfs/dbraw/zinc/82/11/77/587821177.db2.gz HWPNOAOVDDFKRO-VIFPVBQESA-N 0 3 241.287 0.623 20 0 BCADHN CC[C@@](C)(COC(=O)C1CCN(C)C1=O)OC ZINC000835964479 587821627 /nfs/dbraw/zinc/82/16/27/587821627.db2.gz YWYMFQMFTKJVTK-SKDRFNHKSA-N 0 3 243.303 0.823 20 0 BCADHN CC(C)ONC(=O)NC[C@@H]1CCCN(C)C1 ZINC000836347268 587831173 /nfs/dbraw/zinc/83/11/73/587831173.db2.gz DNWMSFWLUBGGSA-JTQLQIEISA-N 0 3 229.324 0.967 20 0 BCADHN C[C@@H](CNC(=O)NCCCCCCO)N(C)C ZINC000836432365 587833082 /nfs/dbraw/zinc/83/30/82/587833082.db2.gz SPPDIRGWUSAYGX-NSHDSACASA-N 0 3 245.367 0.788 20 0 BCADHN CC[C@H](CO)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000837193632 587858798 /nfs/dbraw/zinc/85/87/98/587858798.db2.gz XVMULLJILPFGRN-NEPJUHHUSA-N 0 3 242.363 0.946 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1ncccn1 ZINC000837239783 587860586 /nfs/dbraw/zinc/86/05/86/587860586.db2.gz YMNPLBUDXNOHEQ-UHFFFAOYSA-N 0 3 222.292 0.547 20 0 BCADHN CN(C)CC(C)(C)NC(=O)[C@@H](O)C(C)(C)C ZINC000837239500 587860696 /nfs/dbraw/zinc/86/06/96/587860696.db2.gz RZIVDOTXDIBXPE-SECBINFHSA-N 0 3 230.352 0.850 20 0 BCADHN CSCCOC(=O)C1CCCN(C)C1=O ZINC000837955114 587905564 /nfs/dbraw/zinc/90/55/64/587905564.db2.gz HKXDIUCKHWLLNR-MRVPVSSYSA-N 0 3 231.317 0.761 20 0 BCADHN CC(C)OCCOC(=O)C1CCCN(C)C1=O ZINC000837953229 587905673 /nfs/dbraw/zinc/90/56/73/587905673.db2.gz FELYGEBCXYORQP-JTQLQIEISA-N 0 3 243.303 0.823 20 0 BCADHN CCOCC(C)(C)NC(=S)NCCN(C)C ZINC000840755997 587920117 /nfs/dbraw/zinc/92/01/17/587920117.db2.gz ZVBWBCYASCBGAT-UHFFFAOYSA-N 0 3 247.408 0.827 20 0 BCADHN CN(C)CCNC(=S)N1CC[C@@H](F)C1 ZINC000840780096 587921443 /nfs/dbraw/zinc/92/14/43/587921443.db2.gz QCVZIGILNXMNMF-MRVPVSSYSA-N 0 3 219.329 0.466 20 0 BCADHN CO[C@@H]1CCC[C@H]1NC(=S)NCCN(C)C ZINC000840800698 587922236 /nfs/dbraw/zinc/92/22/36/587922236.db2.gz SWIKRTDFZAECNV-NXEZZACHSA-N 0 3 245.392 0.580 20 0 BCADHN C[C@@H]1C[C@@H]1CNCCS(=O)(=O)C1CC1 ZINC000840965397 587932480 /nfs/dbraw/zinc/93/24/80/587932480.db2.gz FQGHGCBLJMZPPN-RKDXNWHRSA-N 0 3 217.334 0.809 20 0 BCADHN C[C@@H]1CSC[C@@H]1NCCS(=O)(=O)C1CC1 ZINC000840966286 587932620 /nfs/dbraw/zinc/93/26/20/587932620.db2.gz NTZXIYVDKLHXTQ-SCZZXKLOSA-N 0 3 249.401 0.905 20 0 BCADHN CN(C)C1(CNC(=O)[C@H]2CCC=CO2)CC1 ZINC000841455735 587955977 /nfs/dbraw/zinc/95/59/77/587955977.db2.gz ZZAMYCUDOHDGCY-SNVBAGLBSA-N 0 3 224.304 0.890 20 0 BCADHN Nc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)c([O-])c1 ZINC000841846642 587977179 /nfs/dbraw/zinc/97/71/79/587977179.db2.gz RJHMCLCCRBOHIN-SECBINFHSA-N 0 3 235.287 0.456 20 0 BCADHN CCNCC(=O)Nc1ccc(NC)nc1 ZINC000841852170 587978409 /nfs/dbraw/zinc/97/84/09/587978409.db2.gz GRAJQCFHQWRSRQ-UHFFFAOYSA-N 0 3 208.265 0.671 20 0 BCADHN CCn1nncc1CNCCN1CCC[C@H]1C ZINC000841869596 587979211 /nfs/dbraw/zinc/97/92/11/587979211.db2.gz QRCYCNJGZNYHGN-LLVKDONJSA-N 0 3 237.351 0.872 20 0 BCADHN CSCCONC(=O)N1CCN[C@H](C)[C@H]1C ZINC000841889539 587979859 /nfs/dbraw/zinc/97/98/59/587979859.db2.gz CCRVCMDOEJJTOA-RKDXNWHRSA-N 0 3 247.364 0.673 20 0 BCADHN CCn1nc(C)c(CNCC2(N(C)C)CC2)n1 ZINC000841889942 587980572 /nfs/dbraw/zinc/98/05/72/587980572.db2.gz IREWIAXJHHDSPH-UHFFFAOYSA-N 0 3 237.351 0.790 20 0 BCADHN C[C@@H]1NCCN(C(=O)NOCC2CC2)[C@H]1C ZINC000841906335 587983265 /nfs/dbraw/zinc/98/32/65/587983265.db2.gz GEAKSOHOOCTVPT-IUCAKERBSA-N 0 3 227.308 0.720 20 0 BCADHN CC[C@H](C)CONC(=O)N1CCCNCC1 ZINC000841909994 587983614 /nfs/dbraw/zinc/98/36/14/587983614.db2.gz GIYZHSWFYZTYOL-JTQLQIEISA-N 0 3 229.324 0.969 20 0 BCADHN O=C(NOC/C=C/Cl)N1CCCNCC1 ZINC000841909829 587983966 /nfs/dbraw/zinc/98/39/66/587983966.db2.gz CULBPRPZKOSDFU-HNQUOIGGSA-N 0 3 233.699 0.675 20 0 BCADHN CC(C)ONC(=O)N[C@H]1CNCCC1(F)F ZINC000842002976 587988435 /nfs/dbraw/zinc/98/84/35/587988435.db2.gz HMMFOGGFNOVGMW-ZETCQYMHSA-N 0 3 237.250 0.623 20 0 BCADHN CON(C)C(=O)CN1C[C@H](C)[C@H](C)[C@H]1C ZINC000842166359 588005172 /nfs/dbraw/zinc/00/51/72/588005172.db2.gz KSGBJUVQMSKEKC-LPEHRKFASA-N 0 3 214.309 0.983 20 0 BCADHN CCCCCCNC(=O)C(=O)N[C@H](C)CN ZINC000842212539 588007380 /nfs/dbraw/zinc/00/73/80/588007380.db2.gz BXYHYYKOHIZSLO-SECBINFHSA-N 0 3 229.324 0.146 20 0 BCADHN CCCCC[C@H](C)NC(=O)C(=O)N[C@@H](C)CN ZINC000842221090 588007555 /nfs/dbraw/zinc/00/75/55/588007555.db2.gz PEFVAMUJOCRDMM-UWVGGRQHSA-N 0 3 243.351 0.535 20 0 BCADHN CCCCC[C@@H](C)NC(=O)C(=O)N(C)CCN ZINC000842221741 588007797 /nfs/dbraw/zinc/00/77/97/588007797.db2.gz WLJMAWCBGDURNH-SNVBAGLBSA-N 0 3 243.351 0.489 20 0 BCADHN C[C@@H]1CN(c2cc(Cl)nc(N)n2)CCN1 ZINC000842274819 588010822 /nfs/dbraw/zinc/01/08/22/588010822.db2.gz HNDNFEMZINXPEL-ZCFIWIBFSA-N 0 3 227.699 0.510 20 0 BCADHN CN(c1nccc(N2CCCC2)n1)C1CNC1 ZINC000842299482 588015210 /nfs/dbraw/zinc/01/52/10/588015210.db2.gz CDULOMYIGYNHNJ-UHFFFAOYSA-N 0 3 233.319 0.485 20 0 BCADHN CC1(C)CN(c2cc(Cl)nc(N)n2)CCN1 ZINC000842313842 588016584 /nfs/dbraw/zinc/01/65/84/588016584.db2.gz WVZZJKSUDVTBFB-UHFFFAOYSA-N 0 3 241.726 0.900 20 0 BCADHN CCN(CCNC(=O)NOC)C1CC1 ZINC000104779353 588027873 /nfs/dbraw/zinc/02/78/73/588027873.db2.gz CCWYYDFIYHHOCI-UHFFFAOYSA-N 0 3 201.270 0.331 20 0 BCADHN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@]1(F)CCNC1 ZINC000842514248 588032191 /nfs/dbraw/zinc/03/21/91/588032191.db2.gz ANACXGZRBVSZCK-BFLSOPEQSA-N 0 3 226.295 0.993 20 0 BCADHN F[C@@]1(c2nc(C[C@H]3CCCO3)no2)CCNC1 ZINC000842571216 588043411 /nfs/dbraw/zinc/04/34/11/588043411.db2.gz LXQUOXXYSMFDFM-KCJUWKMLSA-N 0 3 241.266 0.949 20 0 BCADHN CCN(OC)C(=O)CNC1CCSCC1 ZINC000842767962 588061346 /nfs/dbraw/zinc/06/13/46/588061346.db2.gz DRUVUYUKRFAMDG-UHFFFAOYSA-N 0 3 232.349 0.882 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CCO[C@@H](C)C1 ZINC000842768655 588061390 /nfs/dbraw/zinc/06/13/90/588061390.db2.gz CVCLDLYWTLLOBX-VHSXEESVSA-N 0 3 230.308 0.553 20 0 BCADHN Cc1cc(C)cc([C@H](O)CNC(CO)CO)c1 ZINC000843059629 588077339 /nfs/dbraw/zinc/07/73/39/588077339.db2.gz LYXGTGFWHYGBKE-CYBMUJFWSA-N 0 3 239.315 0.280 20 0 BCADHN CC[C@H](C)[C@@H](O)CNCCS(=O)(=O)CC ZINC000843073085 588077374 /nfs/dbraw/zinc/07/73/74/588077374.db2.gz FYILWDNOTKHZLT-UWVGGRQHSA-N 0 3 237.365 0.418 20 0 BCADHN C/C=C\C[C@H](CO)NCCS(=O)(=O)CC ZINC000843076060 588079500 /nfs/dbraw/zinc/07/95/00/588079500.db2.gz DJBSWVJPTVDUEV-TZGMSPROSA-N 0 3 235.349 0.338 20 0 BCADHN C[C@@H](CO)NC[C@@H](O)c1ccc(F)cn1 ZINC000843070451 588079159 /nfs/dbraw/zinc/07/91/59/588079159.db2.gz BEZAGDVUMRLTHR-OIBJUYFYSA-N 0 3 214.240 0.225 20 0 BCADHN C[C@@H](CO)NC[C@H](O)c1ccc(F)cn1 ZINC000843070455 588079204 /nfs/dbraw/zinc/07/92/04/588079204.db2.gz BEZAGDVUMRLTHR-XVKPBYJWSA-N 0 3 214.240 0.225 20 0 BCADHN O[C@@H](CNC[C@@H](O)C1CC1)c1ccccn1 ZINC000843096025 588081121 /nfs/dbraw/zinc/08/11/21/588081121.db2.gz QLHNFUYEGRAAID-NEPJUHHUSA-N 0 3 222.288 0.476 20 0 BCADHN O[C@H](CNC[C@@H](O)C1CC1)c1ccccn1 ZINC000843096028 588081164 /nfs/dbraw/zinc/08/11/64/588081164.db2.gz QLHNFUYEGRAAID-VXGBXAGGSA-N 0 3 222.288 0.476 20 0 BCADHN Cc1nc(CNC[C@@H](C)O)ccc1[C@H](C)O ZINC000843105463 588081733 /nfs/dbraw/zinc/08/17/33/588081733.db2.gz FYYTXLJYORFCAC-SCZZXKLOSA-N 0 3 224.304 0.914 20 0 BCADHN COC[C@@H](O)CNC[C@@H](O)c1ccc(C)cc1 ZINC000843112097 588082204 /nfs/dbraw/zinc/08/22/04/588082204.db2.gz PEJBCQAKCXFKCV-QWHCGFSZSA-N 0 3 239.315 0.625 20 0 BCADHN CC[C@H](O)CN[C@@H]1COc2ccccc2[C@@H]1O ZINC000843117943 588082735 /nfs/dbraw/zinc/08/27/35/588082735.db2.gz VMBNIUWIBLYJSQ-NDMJEZRESA-N 0 3 237.299 0.842 20 0 BCADHN CC[C@H](NCCS(C)(=O)=O)[C@H](O)C(C)C ZINC000843117175 588083080 /nfs/dbraw/zinc/08/30/80/588083080.db2.gz WSAMUZOEDNJCFJ-VHSXEESVSA-N 0 3 237.365 0.416 20 0 BCADHN COCCOCc1noc([C@@]2(F)CCNC2)n1 ZINC000843191693 588091963 /nfs/dbraw/zinc/09/19/63/588091963.db2.gz OUEJQQITSRAUQU-SNVBAGLBSA-N 0 3 245.254 0.391 20 0 BCADHN F[C@]1(c2nc(-c3ccon3)no2)CCNC1 ZINC000843193070 588092352 /nfs/dbraw/zinc/09/23/52/588092352.db2.gz LCNPUIYUCUDXMG-SECBINFHSA-N 0 3 224.195 0.883 20 0 BCADHN F[C@@]1(c2nc(-c3nc[n-]n3)no2)CC[NH2+]C1 ZINC000843209756 588093117 /nfs/dbraw/zinc/09/31/17/588093117.db2.gz PBTVLBPCBUYODG-QMMMGPOBSA-N 0 3 224.199 0.013 20 0 BCADHN Cn1cncc1Cc1noc(C(C)(C)CN)n1 ZINC000843198991 588093363 /nfs/dbraw/zinc/09/33/63/588093363.db2.gz ANQYHEDKFAUPFA-UHFFFAOYSA-N 0 3 235.291 0.630 20 0 BCADHN Cn1cc(/C=C\C(=O)NCCN2CCCC2)cn1 ZINC000843352688 588102895 /nfs/dbraw/zinc/10/28/95/588102895.db2.gz SGHGBYUKHJVWFI-PLNGDYQASA-N 0 3 248.330 0.645 20 0 BCADHN CCNCC(=O)NC[C@H](O)c1ccccc1F ZINC000843382156 588105279 /nfs/dbraw/zinc/10/52/79/588105279.db2.gz VILDKEIPRWIKKE-NSHDSACASA-N 0 3 240.278 0.585 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CSC[C@H]1C ZINC000843429983 588108445 /nfs/dbraw/zinc/10/84/45/588108445.db2.gz FKBVJVZXLLOUKU-RKDXNWHRSA-N 0 3 232.349 0.737 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@H]1CCC=CO1 ZINC000843428411 588108496 /nfs/dbraw/zinc/10/84/96/588108496.db2.gz WOKYCTMENUTOPR-GMTAPVOTSA-N 0 3 213.277 0.683 20 0 BCADHN CCN(OC)C(=O)CN[C@@H](C)Cn1cccn1 ZINC000843431268 588109246 /nfs/dbraw/zinc/10/92/46/588109246.db2.gz YYUZGCWEWCYTNK-JTQLQIEISA-N 0 3 240.307 0.271 20 0 BCADHN Cc1nonc1CNC(=O)C1(N)CCCCC1 ZINC000843442075 588110737 /nfs/dbraw/zinc/11/07/37/588110737.db2.gz ZQZBHEPMMXTKQT-UHFFFAOYSA-N 0 3 238.291 0.656 20 0 BCADHN COC(=O)CC(C)(C)NC(=O)[C@@]1(F)CCNC1 ZINC000843441091 588111041 /nfs/dbraw/zinc/11/10/41/588111041.db2.gz UPOOHINUBSRHDC-LLVKDONJSA-N 0 3 246.282 0.146 20 0 BCADHN O=C(Nc1ccc2nncn2c1)[C@]1(F)CCNC1 ZINC000843489317 588114770 /nfs/dbraw/zinc/11/47/70/588114770.db2.gz BGMKPEMHRNFCPQ-NSHDSACASA-N 0 3 249.249 0.369 20 0 BCADHN NCC(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000843495325 588115387 /nfs/dbraw/zinc/11/53/87/588115387.db2.gz OWYDUSOSVHHRAI-LBPRGKRZSA-N 0 3 234.299 0.575 20 0 BCADHN CCNCC(=O)NCc1ccc(C(C)=O)c(C)n1 ZINC000843493962 588115574 /nfs/dbraw/zinc/11/55/74/588115574.db2.gz HDQDMPCCSKVDLT-UHFFFAOYSA-N 0 3 249.314 0.818 20 0 BCADHN C[C@H](NC(=O)CN)[C@H](O)c1cccc(F)c1 ZINC000843493403 588115828 /nfs/dbraw/zinc/11/58/28/588115828.db2.gz WBNDXZNVTFGAJO-CPCISQLKSA-N 0 3 226.251 0.323 20 0 BCADHN C[C@H](NC(=O)CN)[C@H](O)c1ccc(F)cc1 ZINC000843492738 588115845 /nfs/dbraw/zinc/11/58/45/588115845.db2.gz GANJVMLANDGUJA-CPCISQLKSA-N 0 3 226.251 0.323 20 0 BCADHN CCNCC(=O)NC[C@@H](C)N1CCCCC1=O ZINC000843499763 588116053 /nfs/dbraw/zinc/11/60/53/588116053.db2.gz VSHJIEMSTPBILC-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN CCNCC(=O)NC[C@H](C)N1CCCCC1=O ZINC000843499762 588116140 /nfs/dbraw/zinc/11/61/40/588116140.db2.gz VSHJIEMSTPBILC-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CCc1cc(NC(=O)[C@@H](N)C(C)C)nn1C ZINC000843501130 588116632 /nfs/dbraw/zinc/11/66/32/588116632.db2.gz FCEJJNCLBSMQIW-JTQLQIEISA-N 0 3 224.308 0.904 20 0 BCADHN O=C(N1CC[C@@H]2OCC[C@@H]2C1)[C@]1(F)CCNC1 ZINC000843504246 588117217 /nfs/dbraw/zinc/11/72/17/588117217.db2.gz LFAHJKJBCCITJO-SCVCMEIPSA-N 0 3 242.294 0.325 20 0 BCADHN CN(C)CCn1ccc(NC(=O)C2(F)CC2)n1 ZINC000843538909 588120889 /nfs/dbraw/zinc/12/08/89/588120889.db2.gz MHQAVJGQBCKTFX-UHFFFAOYSA-N 0 3 240.282 0.885 20 0 BCADHN CN(C)CC(C)(C)NC(=O)C1(F)CC1 ZINC000843605278 588129307 /nfs/dbraw/zinc/12/93/07/588129307.db2.gz WEHHLOAGBZWLDS-UHFFFAOYSA-N 0 3 202.273 0.945 20 0 BCADHN C[C@@H]1[C@H](C(=O)NCCC[S@](C)=O)CCN1C ZINC000843794365 588140720 /nfs/dbraw/zinc/14/07/20/588140720.db2.gz PNQRHZIBMGKKME-LYGAQUJYSA-N 0 3 246.376 0.211 20 0 BCADHN CS[C@@H]1CN(C(=O)C2(F)CC2)C[C@@H]1N(C)C ZINC000843842850 588143172 /nfs/dbraw/zinc/14/31/72/588143172.db2.gz MOQQNUSBOATJSL-DTWKUNHWSA-N 0 3 246.351 0.993 20 0 BCADHN CS[C@H]1CN(C(=O)C2(F)CC2)C[C@H]1N(C)C ZINC000843842849 588144098 /nfs/dbraw/zinc/14/40/98/588144098.db2.gz MOQQNUSBOATJSL-BDAKNGLRSA-N 0 3 246.351 0.993 20 0 BCADHN CCCN(C(=O)[C@H](CC)CO)[C@H]1CCN(C)C1 ZINC000843990508 588153730 /nfs/dbraw/zinc/15/37/30/588153730.db2.gz UTKAZLHQDRZLDA-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CCNCC(=O)NCc1cn2ccsc2n1 ZINC000844166820 588171374 /nfs/dbraw/zinc/17/13/74/588171374.db2.gz JMIZZBYIEKCKLL-UHFFFAOYSA-N 0 3 238.316 0.622 20 0 BCADHN CCNCC(=O)NCCNc1ccccc1 ZINC000844169253 588171480 /nfs/dbraw/zinc/17/14/80/588171480.db2.gz UDRMISSGKTUSPE-UHFFFAOYSA-N 0 3 221.304 0.824 20 0 BCADHN CCNCC(=O)NCCOc1cccnc1 ZINC000844182827 588171856 /nfs/dbraw/zinc/17/18/56/588171856.db2.gz WENZZIYUPPABAK-UHFFFAOYSA-N 0 3 223.276 0.186 20 0 BCADHN C[C@@H](C(=O)N[C@@H]1CNCCC1(F)F)N(C)C ZINC000844196961 588173134 /nfs/dbraw/zinc/17/31/34/588173134.db2.gz GZNAGUJEHHCYSO-JGVFFNPUSA-N 0 3 235.278 0.050 20 0 BCADHN COCCCN(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844281562 588179752 /nfs/dbraw/zinc/17/97/52/588179752.db2.gz NHANCVABPJVQMK-NSHDSACASA-N 0 3 242.319 0.938 20 0 BCADHN O=C1O[C@@H](CN(CCO)C2CC2)CN1C1CC1 ZINC000844282552 588180233 /nfs/dbraw/zinc/18/02/33/588180233.db2.gz KTQIJVCTYKRCMH-NSHDSACASA-N 0 3 240.303 0.426 20 0 BCADHN C[C@H](O)CN(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844299962 588181928 /nfs/dbraw/zinc/18/19/28/588181928.db2.gz LABKHYZZUWHISV-WPRPVWTQSA-N 0 3 228.292 0.282 20 0 BCADHN C[C@@H]1COCCN(C[C@@H]2CCC(=O)N2)C1 ZINC000844309782 588183117 /nfs/dbraw/zinc/18/31/17/588183117.db2.gz NAURRYKNGDWEGK-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CN(C3CC3)C(=O)O2)C[C@H]1O ZINC000844316354 588183871 /nfs/dbraw/zinc/18/38/71/588183871.db2.gz MMYBSYSNOUFHRX-FBIMIBRVSA-N 0 3 240.303 0.282 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@@H]2CCC(=O)N2)[C@@H]1C ZINC000844321291 588184461 /nfs/dbraw/zinc/18/44/61/588184461.db2.gz QPLRFGUVSUQWLW-KXUCPTDWSA-N 0 3 240.303 0.148 20 0 BCADHN COC[C@H](C)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844322475 588184515 /nfs/dbraw/zinc/18/45/15/588184515.db2.gz CVBIGRACIUCSHF-WCBMZHEXSA-N 0 3 228.292 0.594 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1CCC(=O)C1CC1 ZINC000844393282 588189292 /nfs/dbraw/zinc/18/92/92/588189292.db2.gz QGQCGRPEVZZURE-WDEREUQCSA-N 0 3 227.304 0.437 20 0 BCADHN COCCN1CCN(CCF)C(C)(C)C1 ZINC000844431739 588192216 /nfs/dbraw/zinc/19/22/16/588192216.db2.gz NEGVNHHFIWPSHE-UHFFFAOYSA-N 0 3 218.316 0.999 20 0 BCADHN CSC[C@@H](O)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844461014 588196960 /nfs/dbraw/zinc/19/69/60/588196960.db2.gz ZHABDJZLRJSUFK-BIIVOSGPSA-N 0 3 223.288 0.907 20 0 BCADHN CN(C)CC[C@H](N)c1nc(C2CC2)no1 ZINC000844677673 588213488 /nfs/dbraw/zinc/21/34/88/588213488.db2.gz UKHDFKLGJPQXRM-QMMMGPOBSA-N 0 3 210.281 0.899 20 0 BCADHN CN1CCC(N2C(=O)N[C@H](CCF)C2=O)CC1 ZINC000844711949 588214691 /nfs/dbraw/zinc/21/46/91/588214691.db2.gz DHMGNVJPZORXBX-SECBINFHSA-N 0 3 243.282 0.361 20 0 BCADHN CC(=O)NCC(=O)O[C@@H](C)CN1CCCC1 ZINC000845663107 588239984 /nfs/dbraw/zinc/23/99/84/588239984.db2.gz LPNLNSXNYUZQNJ-VIFPVBQESA-N 0 3 228.292 0.150 20 0 BCADHN COC/C(C)=C\C(=O)N(C)CCN(C)C ZINC000845699293 588241910 /nfs/dbraw/zinc/24/19/10/588241910.db2.gz WHXKAWMZTUAXCL-NTMALXAHSA-N 0 3 214.309 0.599 20 0 BCADHN CC(=O)NCC(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845733386 588242853 /nfs/dbraw/zinc/24/28/53/588242853.db2.gz WPHCWFPMTQMRKI-JTQLQIEISA-N 0 3 242.319 0.539 20 0 BCADHN COC/C(C)=C\C(=O)NC[C@](C)(O)CN(C)C ZINC000845870688 588249071 /nfs/dbraw/zinc/24/90/71/588249071.db2.gz TZHCVMANLFDHEP-GYGFLDJKSA-N 0 3 244.335 0.008 20 0 BCADHN COC[C@@H](O)CNCc1cc2cnccc2o1 ZINC000845968351 588252029 /nfs/dbraw/zinc/25/20/29/588252029.db2.gz LORHHXUXIZAOON-JTQLQIEISA-N 0 3 236.271 0.925 20 0 BCADHN COC/C(C)=C/C(=O)N1CCN2CCC1CC2 ZINC000845997783 588253203 /nfs/dbraw/zinc/25/32/03/588253203.db2.gz QOZHRPQSIHOMAC-PKNBQFBNSA-N 0 3 238.331 0.886 20 0 BCADHN Cc1ncc(CN[C@H]2C[C@@H](C(N)=O)C2)s1 ZINC000846046703 588254666 /nfs/dbraw/zinc/25/46/66/588254666.db2.gz NGCNNMDTQBFDOG-OCAPTIKFSA-N 0 3 225.317 0.805 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CCC[C@@H](OC)C1 ZINC000846062204 588254833 /nfs/dbraw/zinc/25/48/33/588254833.db2.gz CLSYNNBIAPBIOK-WDEREUQCSA-N 0 3 244.335 0.944 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CCC[C@H](OC)C1 ZINC000846062203 588254849 /nfs/dbraw/zinc/25/48/49/588254849.db2.gz CLSYNNBIAPBIOK-QWRGUYRKSA-N 0 3 244.335 0.944 20 0 BCADHN CCON(C)C(=O)CN[C@H](C)[C@@H]1CCCOC1 ZINC000846062678 588254856 /nfs/dbraw/zinc/25/48/56/588254856.db2.gz JKZWNIWDRKZAMD-GHMZBOCLSA-N 0 3 244.335 0.801 20 0 BCADHN CCON(C)C(=O)CNC1CCOCC1 ZINC000846063913 588254938 /nfs/dbraw/zinc/25/49/38/588254938.db2.gz YHCOJTKOODMEQI-UHFFFAOYSA-N 0 3 216.281 0.165 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CCC[C@H](OC)C1 ZINC000846062202 588255041 /nfs/dbraw/zinc/25/50/41/588255041.db2.gz CLSYNNBIAPBIOK-MNOVXSKESA-N 0 3 244.335 0.944 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CCOC[C@H]1C ZINC000846064577 588255249 /nfs/dbraw/zinc/25/52/49/588255249.db2.gz SHCBFHHHMJPAKM-NXEZZACHSA-N 0 3 230.308 0.411 20 0 BCADHN CCON(C)C(=O)CNC[C@H]1C[C@H]1C ZINC000846064429 588255432 /nfs/dbraw/zinc/25/54/32/588255432.db2.gz MFIQDDPUNWZHSF-RKDXNWHRSA-N 0 3 200.282 0.642 20 0 BCADHN CCN1C[C@H](CNCc2cn(C)cn2)CC1=O ZINC000846090444 588256352 /nfs/dbraw/zinc/25/63/52/588256352.db2.gz AOHNZWCNUBCMJN-JTQLQIEISA-N 0 3 236.319 0.378 20 0 BCADHN O[C@@]1(CCNCc2cncnc2)CCCOC1 ZINC000846110410 588257079 /nfs/dbraw/zinc/25/70/79/588257079.db2.gz MOMHIIQWBGJTIG-GFCCVEGCSA-N 0 3 237.303 0.498 20 0 BCADHN C[C@H](CC(=O)NOCCN(C)C)n1ccnc1 ZINC000846231312 588261961 /nfs/dbraw/zinc/26/19/61/588261961.db2.gz GPZYVLHQYQLYFX-SNVBAGLBSA-N 0 3 240.307 0.444 20 0 BCADHN CN1CCC(ONC(=O)C2=CCCCO2)CC1 ZINC000846648537 588280698 /nfs/dbraw/zinc/28/06/98/588280698.db2.gz RZYATDSLMGETRK-UHFFFAOYSA-N 0 3 240.303 0.823 20 0 BCADHN CN1CCC(ONC(=O)C2CC(C)(O)C2)CC1 ZINC000846651879 588280820 /nfs/dbraw/zinc/28/08/20/588280820.db2.gz ZBGDVWBFDCDBKN-UHFFFAOYSA-N 0 3 242.319 0.289 20 0 BCADHN CN1CCC(ONC(=O)c2nccs2)CC1 ZINC000846649994 588280850 /nfs/dbraw/zinc/28/08/50/588280850.db2.gz KTLBHGFNPJKUIO-UHFFFAOYSA-N 0 3 241.316 0.899 20 0 BCADHN CCNCC(=O)N[C@H](CC)[C@@H]1CCCO1 ZINC000846684590 588282700 /nfs/dbraw/zinc/28/27/00/588282700.db2.gz NFLJCJRQOQTUDG-ZJUUUORDSA-N 0 3 214.309 0.670 20 0 BCADHN CC(C)O[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000846687864 588282755 /nfs/dbraw/zinc/28/27/55/588282755.db2.gz IXVYSJIQLXQAJI-AXFHLTTASA-N 0 3 226.320 0.750 20 0 BCADHN C[C@@](O)(CNC(=O)CNC1CC1)c1ccco1 ZINC000846687602 588282885 /nfs/dbraw/zinc/28/28/85/588282885.db2.gz QAGPTMAUGJOASR-GFCCVEGCSA-N 0 3 238.287 0.355 20 0 BCADHN C[C@@H]1SCC[C@@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000846686125 588282948 /nfs/dbraw/zinc/28/29/48/588282948.db2.gz HRLLBNGJODFMEN-OYNCUSHFSA-N 0 3 232.324 0.698 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)[C@H](C)CO1 ZINC000846690006 588283086 /nfs/dbraw/zinc/28/30/86/588283086.db2.gz DXLUBKDRYYPVFH-CKYFFXLPSA-N 0 3 244.310 0.714 20 0 BCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@]1(F)CCNC1 ZINC000846689661 588283129 /nfs/dbraw/zinc/28/31/29/588283129.db2.gz BJMMGBUFBTWBQA-REIXXSIJSA-N 0 3 228.267 0.124 20 0 BCADHN CCNCC(=O)N[C@@H](C)COCC1CC1 ZINC000846695282 588283394 /nfs/dbraw/zinc/28/33/94/588283394.db2.gz AZHXVPVTGMRZCU-VIFPVBQESA-N 0 3 214.309 0.527 20 0 BCADHN C[C@H](CO)C1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000846697363 588283485 /nfs/dbraw/zinc/28/34/85/588283485.db2.gz OSTCZQFFSAMFKK-IEBDPFPHSA-N 0 3 226.320 0.201 20 0 BCADHN CN1CCCN(Cc2cnsn2)CC1 ZINC000846769169 588287193 /nfs/dbraw/zinc/28/71/93/588287193.db2.gz YICCDSHLPKCWOT-UHFFFAOYSA-N 0 3 212.322 0.676 20 0 BCADHN CNC(=O)CCN(C)CC1(Br)CC1 ZINC000846796189 588288617 /nfs/dbraw/zinc/28/86/17/588288617.db2.gz FKXKAUWLDCXAJO-UHFFFAOYSA-N 0 3 249.152 0.982 20 0 BCADHN C[C@@H]1CN(CCCc2cncn2C)CCN1C ZINC000846836024 588291811 /nfs/dbraw/zinc/29/18/11/588291811.db2.gz BDOVSKDXLZRTME-GFCCVEGCSA-N 0 3 236.363 0.989 20 0 BCADHN C[C@H]1COCCN(CCCC(=O)N(C)C)C1 ZINC000846835243 588291972 /nfs/dbraw/zinc/29/19/72/588291972.db2.gz WOVIUEKGSNQYEI-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN Cn1ccnc1[C@H]1CCN(CC[S@](C)=O)C1 ZINC000846838622 588292218 /nfs/dbraw/zinc/29/22/18/588292218.db2.gz QNUIIYGBNPVEMI-QFYYESIMSA-N 0 3 241.360 0.588 20 0 BCADHN CCN1C[C@@H](CN(C)C2(CO)CCC2)OC1=O ZINC000846917453 588296191 /nfs/dbraw/zinc/29/61/91/588296191.db2.gz BYJQRNLYRSFAJJ-SNVBAGLBSA-N 0 3 242.319 0.674 20 0 BCADHN CC(=O)Oc1ccc(CNC(CO)CO)cc1 ZINC000846940513 588297778 /nfs/dbraw/zinc/29/77/78/588297778.db2.gz PLFFPJPDFJEITD-UHFFFAOYSA-N 0 3 239.271 0.055 20 0 BCADHN CON1CCN(C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000846972297 588298339 /nfs/dbraw/zinc/29/83/39/588298339.db2.gz QPZHHSGTBCESNK-VXGBXAGGSA-N 0 3 228.336 0.981 20 0 BCADHN CCN1C[C@H](CN(C)[C@H](C)CCO)OC1=O ZINC000847015907 588301690 /nfs/dbraw/zinc/30/16/90/588301690.db2.gz YKZQMFHADRIBHY-ZJUUUORDSA-N 0 3 230.308 0.530 20 0 BCADHN NC(=O)[C@@]1(NCCc2cccs2)CCOC1 ZINC000847051786 588304969 /nfs/dbraw/zinc/30/49/69/588304969.db2.gz IVZHFDSKCLNRGM-LLVKDONJSA-N 0 3 240.328 0.525 20 0 BCADHN CCCCCCN[C@]1(C(N)=O)CCOC1 ZINC000847050777 588305004 /nfs/dbraw/zinc/30/50/04/588305004.db2.gz FDFQFCUNXAZBMR-LLVKDONJSA-N 0 3 214.309 0.801 20 0 BCADHN CCO/C=C\C(=O)NC[C@@H](C)N(C)C ZINC000847331903 588311085 /nfs/dbraw/zinc/31/10/85/588311085.db2.gz JHPBKPRBZOMWRH-ATJFRQLMSA-N 0 3 200.282 0.603 20 0 BCADHN CC[C@@H](C(=O)N1CCCN(C=O)CC1)N(C)C ZINC000847370358 588311569 /nfs/dbraw/zinc/31/15/69/588311569.db2.gz AEEDQIBXRDLDQC-NSHDSACASA-N 0 3 241.335 0.017 20 0 BCADHN CCO/C=C\C(=O)N[C@@H]1CCCN(C)C1 ZINC000847448335 588313978 /nfs/dbraw/zinc/31/39/78/588313978.db2.gz OOQTUBQQWTZDLW-BJPMOSCESA-N 0 3 212.293 0.747 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C(=O)O1 ZINC000848072182 588353495 /nfs/dbraw/zinc/35/34/95/588353495.db2.gz COQDVFNLKLPRGX-BDAKNGLRSA-N 0 3 240.303 0.291 20 0 BCADHN CCO/C=C/C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000848120950 588358936 /nfs/dbraw/zinc/35/89/36/588358936.db2.gz SSAQCPJNEGWRJR-HQVCXTMKSA-N 0 3 224.304 0.699 20 0 BCADHN C[C@@H](Cc1c[nH]cn1)C(=O)NOCCN(C)C ZINC000848160302 588362722 /nfs/dbraw/zinc/36/27/22/588362722.db2.gz SMJVHZJNVSJAJH-VIFPVBQESA-N 0 3 240.307 0.198 20 0 BCADHN C[C@H](Cc1c[nH]cn1)C(=O)NOCCN(C)C ZINC000848160301 588362743 /nfs/dbraw/zinc/36/27/43/588362743.db2.gz SMJVHZJNVSJAJH-SECBINFHSA-N 0 3 240.307 0.198 20 0 BCADHN COCOCCCNC(=O)C1CCN(C)CC1 ZINC000848170608 588364474 /nfs/dbraw/zinc/36/44/74/588364474.db2.gz XBADTMCPNATKHL-UHFFFAOYSA-N 0 3 244.335 0.455 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc(OC)ccc1N ZINC000848393280 588376638 /nfs/dbraw/zinc/37/66/38/588376638.db2.gz XHLABGDXGPMJSX-ZETCQYMHSA-N 0 3 223.276 0.824 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc(N)c(OC)c1 ZINC000848394291 588377013 /nfs/dbraw/zinc/37/70/13/588377013.db2.gz OBTWXGRLROIDDM-ZETCQYMHSA-N 0 3 223.276 0.824 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccnn1CC1CC1 ZINC000848398606 588377661 /nfs/dbraw/zinc/37/76/61/588377661.db2.gz AEFNZKDWIOTBLV-QMMMGPOBSA-N 0 3 222.292 0.840 20 0 BCADHN CNC(=O)c1cc(C)ccc1NC(=O)[C@H](C)NC ZINC000848402282 588377767 /nfs/dbraw/zinc/37/77/67/588377767.db2.gz ZSXDQVOFSUQCTF-VIFPVBQESA-N 0 3 249.314 0.901 20 0 BCADHN O=C(CC[NH2+]C1CC1)[N-]O[C@@H]1CCCCO1 ZINC000848408063 588379009 /nfs/dbraw/zinc/37/90/09/588379009.db2.gz YUGRLFTZOMNTBQ-LLVKDONJSA-N 0 3 228.292 0.703 20 0 BCADHN CCCCOC(=O)C(C)(C)NC(=O)[C@H](N)CC ZINC000848437980 588384820 /nfs/dbraw/zinc/38/48/20/588384820.db2.gz YAXJFHKWTOSLSA-SECBINFHSA-N 0 3 244.335 0.962 20 0 BCADHN CCC1(C(=O)N[C@@H](CN)C(F)(F)F)COC1 ZINC000848437534 588384980 /nfs/dbraw/zinc/38/49/80/588384980.db2.gz AFOIVGCIVGNJAL-LURJTMIESA-N 0 3 240.225 0.419 20 0 BCADHN COCCOCCNCc1cnc(Cl)n1C ZINC000848530009 588393095 /nfs/dbraw/zinc/39/30/95/588393095.db2.gz UONJUAXSQAIZFG-UHFFFAOYSA-N 0 3 247.726 0.826 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1cncnc1C ZINC000848548553 588395558 /nfs/dbraw/zinc/39/55/58/588395558.db2.gz HWJIKWBRAXCQQE-SCZZXKLOSA-N 0 3 225.292 0.443 20 0 BCADHN O=C1O[C@@H](CN[C@@H]2CCOC2)CN1C1CC1 ZINC000848570727 588398842 /nfs/dbraw/zinc/39/88/42/588398842.db2.gz MQLVSPKAKWKNLJ-SCZZXKLOSA-N 0 3 226.276 0.348 20 0 BCADHN COC(=O)/C=C/c1ccc(CN[C@@H](C)CO)o1 ZINC000848898661 588417842 /nfs/dbraw/zinc/41/78/42/588417842.db2.gz XCIJCUNDYMQATB-CYNONHLPSA-N 0 3 239.271 0.936 20 0 BCADHN NC(=[NH2+])NCc1nc(COc2ccccc2)n[n-]1 ZINC000849089462 588452697 /nfs/dbraw/zinc/45/26/97/588452697.db2.gz XIEJANLECBUAQU-UHFFFAOYSA-N 0 3 246.274 0.367 20 0 BCADHN CN(C)CCn1cc(-c2cc[nH]n2)nn1 ZINC000849136936 588453636 /nfs/dbraw/zinc/45/36/36/588453636.db2.gz MINAJPRTBICCQE-UHFFFAOYSA-N 0 3 206.253 0.230 20 0 BCADHN CCc1nccn1Cc1cn(CCN(C)C)nn1 ZINC000849136461 588453667 /nfs/dbraw/zinc/45/36/67/588453667.db2.gz FYQYLGOJBVCJPY-UHFFFAOYSA-N 0 3 248.334 0.647 20 0 BCADHN CN(C)CCn1cc(C[C@H](O)C2CC2)nn1 ZINC000849136130 588453976 /nfs/dbraw/zinc/45/39/76/588453976.db2.gz BMPOBBPJKQTQTL-NSHDSACASA-N 0 3 224.308 0.153 20 0 BCADHN CN(C)CCn1cc([C@H](O)C2CC2)nn1 ZINC000849136567 588453993 /nfs/dbraw/zinc/45/39/93/588453993.db2.gz JWMKQHMIWRAUNS-SNVBAGLBSA-N 0 3 210.281 0.283 20 0 BCADHN CN(C)CCn1cc(-c2cccnc2)nn1 ZINC000849136490 588454011 /nfs/dbraw/zinc/45/40/11/588454011.db2.gz GVHRFJDXKJGOOM-UHFFFAOYSA-N 0 3 217.276 0.902 20 0 BCADHN C[C@@H](N)c1cn(-c2ccc(CO)cc2)nn1 ZINC000849139473 588454148 /nfs/dbraw/zinc/45/41/48/588454148.db2.gz HMDPNRIIVDZCBT-MRVPVSSYSA-N 0 3 218.260 0.779 20 0 BCADHN C[C@@H](N)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC000849140918 588454895 /nfs/dbraw/zinc/45/48/95/588454895.db2.gz WDOFWAGWEZVZRU-SSDOTTSWSA-N 0 3 226.280 0.640 20 0 BCADHN C[C@H](N)c1cn(-c2ccccc2CO)nn1 ZINC000849146965 588455727 /nfs/dbraw/zinc/45/57/27/588455727.db2.gz IGBKBOYJAJHXNA-QMMMGPOBSA-N 0 3 218.260 0.779 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2cccc[n+]2[O-])C1 ZINC000108326102 588460632 /nfs/dbraw/zinc/46/06/32/588460632.db2.gz WFCGJZYIWFSEEJ-LLVKDONJSA-N 0 3 249.314 0.392 20 0 BCADHN C[C@@H](CNC(=S)NCC1CC1)N(C)C ZINC000849255193 588465709 /nfs/dbraw/zinc/46/57/09/588465709.db2.gz XRLHHRJWDYTKMQ-QMMMGPOBSA-N 0 3 215.366 0.811 20 0 BCADHN CCN(CCO)CCNC(=S)NCC1CC1 ZINC000849262188 588467034 /nfs/dbraw/zinc/46/70/34/588467034.db2.gz YLYWWQPMZCOWRW-UHFFFAOYSA-N 0 3 245.392 0.175 20 0 BCADHN CC[C@@H](O)CNC(=S)NC1CCN(C)CC1 ZINC000849291788 588470241 /nfs/dbraw/zinc/47/02/41/588470241.db2.gz LJITUOLNVOILSF-SNVBAGLBSA-N 0 3 245.392 0.316 20 0 BCADHN C[C@H]1CN(C[C@@]2(O)CCCOC2)CCN1C ZINC000849324065 588472456 /nfs/dbraw/zinc/47/24/56/588472456.db2.gz DCMZWILHHKGZDM-RYUDHWBXSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@H]1CN(C[C@]2(O)CCCOC2)CCN1C ZINC000849324062 588472536 /nfs/dbraw/zinc/47/25/36/588472536.db2.gz DCMZWILHHKGZDM-NWDGAFQWSA-N 0 3 228.336 0.164 20 0 BCADHN COC[C@H](C)NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000849333876 588473316 /nfs/dbraw/zinc/47/33/16/588473316.db2.gz QTXHLPWURGCDSK-DCAQKATOSA-N 0 3 241.335 0.367 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)N[C@H]2CCOC2)C1 ZINC000849334438 588473405 /nfs/dbraw/zinc/47/34/05/588473405.db2.gz UTVFHDYZSZVSEW-DCAQKATOSA-N 0 3 239.319 0.121 20 0 BCADHN COC[C@H](C)NC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000849333877 588473468 /nfs/dbraw/zinc/47/34/68/588473468.db2.gz QTXHLPWURGCDSK-GARJFASQSA-N 0 3 241.335 0.367 20 0 BCADHN CN1CC[C@@H](NCc2cn(C3CCC3)nn2)C1 ZINC000850117939 588520667 /nfs/dbraw/zinc/52/06/67/588520667.db2.gz BUGBFKWUNZEFNQ-SNVBAGLBSA-N 0 3 235.335 0.797 20 0 BCADHN CN1CC[C@H](NCc2cn(C3CCC3)nn2)C1 ZINC000850117938 588520737 /nfs/dbraw/zinc/52/07/37/588520737.db2.gz BUGBFKWUNZEFNQ-JTQLQIEISA-N 0 3 235.335 0.797 20 0 BCADHN C[S@@](=O)CCNCc1cnn2c1CCC2 ZINC000850140056 588521832 /nfs/dbraw/zinc/52/18/32/588521832.db2.gz ZNYRKSMTJXNNKP-OAHLLOKOSA-N 0 3 227.333 0.297 20 0 BCADHN Cn1ncc(C2CC2)c1CNCC[S@](C)=O ZINC000850138617 588521841 /nfs/dbraw/zinc/52/18/41/588521841.db2.gz JZYOGILCPRQDNS-INIZCTEOSA-N 0 3 241.360 0.766 20 0 BCADHN Cn1ncc(C2CC2)c1CNCC[S@@](C)=O ZINC000850138619 588521945 /nfs/dbraw/zinc/52/19/45/588521945.db2.gz JZYOGILCPRQDNS-MRXNPFEDSA-N 0 3 241.360 0.766 20 0 BCADHN O=C(OCCN1CCCCC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850260647 588532868 /nfs/dbraw/zinc/53/28/68/588532868.db2.gz WTNDBFSFISSSOM-GDNZZTSVSA-N 0 3 239.315 0.908 20 0 BCADHN COc1cncc(CNC[C@H]2CCCNC2=O)c1 ZINC000850323357 588536996 /nfs/dbraw/zinc/53/69/96/588536996.db2.gz BOBFRFCOXJHSRR-LLVKDONJSA-N 0 3 249.314 0.706 20 0 BCADHN O[C@@H]1CC[C@H]1NCc1cnn2c1CCC2 ZINC000850332495 588537625 /nfs/dbraw/zinc/53/76/25/588537625.db2.gz JCRVFMFYQPWRLB-MWLCHTKSSA-N 0 3 207.277 0.442 20 0 BCADHN CC[C@@H]1COC[C@H]1NCc1cnnn1CC ZINC000850383662 588542684 /nfs/dbraw/zinc/54/26/84/588542684.db2.gz SDUYQPUSMAJVKJ-MWLCHTKSSA-N 0 3 224.308 0.813 20 0 BCADHN COC(=O)N(C)CCNCC1(F)CC1 ZINC000850390063 588543137 /nfs/dbraw/zinc/54/31/37/588543137.db2.gz OORYOTKKMHSPMF-UHFFFAOYSA-N 0 3 204.245 0.776 20 0 BCADHN Cn1cnc(CNC[C@H](CO)CC2CC2)c1 ZINC000850388230 588543278 /nfs/dbraw/zinc/54/32/78/588543278.db2.gz KBGWFDDNRORUDR-LLVKDONJSA-N 0 3 223.320 0.918 20 0 BCADHN O[C@H]1C[C@H](NCc2cnn3ccccc23)C1 ZINC000850418115 588545127 /nfs/dbraw/zinc/54/51/27/588545127.db2.gz YUCYMJZRSODETC-XYPYZODXSA-N 0 3 217.272 0.947 20 0 BCADHN COC(=O)N1CC(N[C@H]2COC3(CCC3)C2)C1 ZINC000850446543 588547295 /nfs/dbraw/zinc/54/72/95/588547295.db2.gz YQAVUDRDBQKLRP-SECBINFHSA-N 0 3 240.303 0.738 20 0 BCADHN COC(=O)N1CC(N[C@@H]2COC3(CCC3)C2)C1 ZINC000850446544 588547705 /nfs/dbraw/zinc/54/77/05/588547705.db2.gz YQAVUDRDBQKLRP-VIFPVBQESA-N 0 3 240.303 0.738 20 0 BCADHN C[C@@H](CCO)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000850502013 588552739 /nfs/dbraw/zinc/55/27/39/588552739.db2.gz RGHXIERJYODWNJ-JQWIXIFHSA-N 0 3 248.326 0.935 20 0 BCADHN C[C@@H](CN1CCCC1)OC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000851103335 588591045 /nfs/dbraw/zinc/59/10/45/588591045.db2.gz MEZLFJYMACSSGN-NNYUYHANSA-N 0 3 239.315 0.906 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N[C@@H]1C=CCC1 ZINC000851641802 588612945 /nfs/dbraw/zinc/61/29/45/588612945.db2.gz MZIIOBDSLOYYMK-MNOVXSKESA-N 0 3 224.304 0.590 20 0 BCADHN CCNCC(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000851641786 588612956 /nfs/dbraw/zinc/61/29/56/588612956.db2.gz MEJQFGNXYGJNPK-TXEJJXNPSA-N 0 3 226.320 0.481 20 0 BCADHN N[C@@H]1CN(C(=O)/C=C/C2CC2)CC[C@H]1F ZINC000851649356 588613040 /nfs/dbraw/zinc/61/30/40/588613040.db2.gz WPCGKROXXFBNJV-HIHHVFROSA-N 0 3 212.268 0.850 20 0 BCADHN CC(C)CN1CCN(Cc2cnon2)CC1 ZINC000851711243 588615438 /nfs/dbraw/zinc/61/54/38/588615438.db2.gz XDEFFUCVBBUYKS-UHFFFAOYSA-N 0 3 224.308 0.843 20 0 BCADHN CC1(C)OC[C@@H](CN2CCC[C@@H](O)C2)O1 ZINC000851718043 588616268 /nfs/dbraw/zinc/61/62/68/588616268.db2.gz CGVDUZHTZBPOPV-NXEZZACHSA-N 0 3 215.293 0.595 20 0 BCADHN COC(=O)[C@@H](C)CN(C)CCOC(F)F ZINC000851728319 588616901 /nfs/dbraw/zinc/61/69/01/588616901.db2.gz LXFAGULYXWOADP-ZETCQYMHSA-N 0 3 225.235 0.967 20 0 BCADHN CC1(C)OC[C@@H](CN(CCO)C2CC2)O1 ZINC000851728712 588616961 /nfs/dbraw/zinc/61/69/61/588616961.db2.gz CLJPFBPFTYHPAD-SNVBAGLBSA-N 0 3 215.293 0.595 20 0 BCADHN OC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1 ZINC000851720694 588617012 /nfs/dbraw/zinc/61/70/12/588617012.db2.gz QIKUJGDDINRMKE-WCQYABFASA-N 0 3 236.315 0.819 20 0 BCADHN OCC1CCN(C[C@@H](O)c2ccccn2)CC1 ZINC000851726206 588618265 /nfs/dbraw/zinc/61/82/65/588618265.db2.gz NKVOVQFGBAVSIP-CYBMUJFWSA-N 0 3 236.315 0.819 20 0 BCADHN CC(C)N(CCO)C[C@H](O)c1ccccn1 ZINC000851733923 588620149 /nfs/dbraw/zinc/62/01/49/588620149.db2.gz KAQJOPCLHJHXRG-LBPRGKRZSA-N 0 3 224.304 0.818 20 0 BCADHN CC1(C)OC[C@H](CN2CCN(C3CC3)CC2)O1 ZINC000851737785 588620800 /nfs/dbraw/zinc/62/08/00/588620800.db2.gz NSKJVVMDHYZYET-LBPRGKRZSA-N 0 3 240.347 0.918 20 0 BCADHN C[C@@H]1C[C@H](N2CCCNC(=O)C2)CCO1 ZINC000851747152 588622511 /nfs/dbraw/zinc/62/25/11/588622511.db2.gz QQTBVQCACFCHLN-NXEZZACHSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@H]1CC[C@@H](C(N)=O)CN1CCOC(F)F ZINC000851750475 588623146 /nfs/dbraw/zinc/62/31/46/588623146.db2.gz BRZBWUYOBQBSQD-JGVFFNPUSA-N 0 3 236.262 0.811 20 0 BCADHN CC1(C)OC[C@H](CN2CCC[C@H]2CO)O1 ZINC000851752347 588623472 /nfs/dbraw/zinc/62/34/72/588623472.db2.gz GZSQKEFOKDYVCW-UWVGGRQHSA-N 0 3 215.293 0.595 20 0 BCADHN CN(CCn1cccn1)C[C@H]1CCC(=O)O1 ZINC000851769044 588625353 /nfs/dbraw/zinc/62/53/53/588625353.db2.gz JQXRJEKQTDRHCW-SNVBAGLBSA-N 0 3 223.276 0.521 20 0 BCADHN OCCCN(C[C@@H](O)c1ccccn1)C1CC1 ZINC000851775957 588626270 /nfs/dbraw/zinc/62/62/70/588626270.db2.gz BLRYXDJWHAQFHV-CYBMUJFWSA-N 0 3 236.315 0.962 20 0 BCADHN CO[C@@H]1CC[C@H](N(C)[C@@H]2CCN(C)C2=O)C1 ZINC000851778394 588626835 /nfs/dbraw/zinc/62/68/35/588626835.db2.gz IWIXURQCAGDLLE-HBNTYKKESA-N 0 3 226.320 0.716 20 0 BCADHN C[C@@H](O)CCN(C)C[C@H](O)c1ccccn1 ZINC000851785520 588628430 /nfs/dbraw/zinc/62/84/30/588628430.db2.gz SXZSRYLJKUTXEU-PWSUYJOCSA-N 0 3 224.304 0.818 20 0 BCADHN CCN(CCCO)C[C@@H]1COC(C)(C)O1 ZINC000851793103 588629286 /nfs/dbraw/zinc/62/92/86/588629286.db2.gz WPCGXMJGJMOWIW-SNVBAGLBSA-N 0 3 217.309 0.842 20 0 BCADHN O=C1OC[C@H]2CN([C@@H]3CCCC[C@H]3O)CCN12 ZINC000851813185 588632888 /nfs/dbraw/zinc/63/28/88/588632888.db2.gz RNVDEGPJFXMJSE-GMTAPVOTSA-N 0 3 240.303 0.426 20 0 BCADHN CC(C)(C)N(CCOC(F)F)CC(N)=O ZINC000851819499 588633392 /nfs/dbraw/zinc/63/33/92/588633392.db2.gz WIYBXGIZXKTRCR-UHFFFAOYSA-N 0 3 224.251 0.811 20 0 BCADHN CNC(=O)C1(NC[C@@H](COC)OC)CCCC1 ZINC000851844353 588634803 /nfs/dbraw/zinc/63/48/03/588634803.db2.gz VEBXRIKSTDPHFU-JTQLQIEISA-N 0 3 244.335 0.296 20 0 BCADHN NC(=O)C1(NCCO[C@H]2CC2(F)F)CCCC1 ZINC000851847259 588634825 /nfs/dbraw/zinc/63/48/25/588634825.db2.gz RPOOMSOTNXKUJE-QMMMGPOBSA-N 0 3 248.273 0.798 20 0 BCADHN COC[C@@H](CN1CCN(C)[C@H](C)C1)OC ZINC000851876436 588638170 /nfs/dbraw/zinc/63/81/70/588638170.db2.gz FCIXGSXXXYPRQR-GHMZBOCLSA-N 0 3 216.325 0.284 20 0 BCADHN COC[C@H](CN1CCN(C)[C@H](C)C1)OC ZINC000851876437 588638183 /nfs/dbraw/zinc/63/81/83/588638183.db2.gz FCIXGSXXXYPRQR-MNOVXSKESA-N 0 3 216.325 0.284 20 0 BCADHN C[C@H]1CN(C[C@H]2COC(C)(C)O2)CCN1C ZINC000851877752 588638467 /nfs/dbraw/zinc/63/84/67/588638467.db2.gz QKKZQVHIXBJPNS-QWRGUYRKSA-N 0 3 228.336 0.774 20 0 BCADHN CC[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@@H]1O ZINC000851878658 588639043 /nfs/dbraw/zinc/63/90/43/588639043.db2.gz FCPMAECPFGUSJO-BBBLOLIVSA-N 0 3 213.277 0.395 20 0 BCADHN COC[C@H](CN1CCOCC[C@@H]1C)OC ZINC000851907675 588642649 /nfs/dbraw/zinc/64/26/49/588642649.db2.gz VFPXXDAAIQOETI-QWRGUYRKSA-N 0 3 217.309 0.759 20 0 BCADHN C[C@H](O)[C@H]1CCN(C[C@H](O)c2ccccn2)C1 ZINC000851912896 588643101 /nfs/dbraw/zinc/64/31/01/588643101.db2.gz PFUKVQDLZHQHCS-GVXVVHGQSA-N 0 3 236.315 0.818 20 0 BCADHN COC(CCN(C)[C@]1(CO)CCOC1)OC ZINC000851917503 588643305 /nfs/dbraw/zinc/64/33/05/588643305.db2.gz GEADGVXKEARNDD-NSHDSACASA-N 0 3 233.308 0.079 20 0 BCADHN O=C1CC[C@@H](CN2CCOCC3(CC3)C2)O1 ZINC000851920268 588643496 /nfs/dbraw/zinc/64/34/96/588643496.db2.gz XZVZKVVKENMDAM-JTQLQIEISA-N 0 3 225.288 0.804 20 0 BCADHN OCC[C@H]1CCCN1C[C@@H](O)c1ccccn1 ZINC000851956481 588647748 /nfs/dbraw/zinc/64/77/48/588647748.db2.gz FTNORCPTCZUKGI-DGCLKSJQSA-N 0 3 236.315 0.962 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CCN(CCO)[C@H](C)C2)C1 ZINC000851957785 588648164 /nfs/dbraw/zinc/64/81/64/588648164.db2.gz SPCSJNLNHHMQJB-JHJVBQTASA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H]1CC(O)C[C@@H](C)N1C[C@H]1CCC(=O)O1 ZINC000851966885 588648676 /nfs/dbraw/zinc/64/86/76/588648676.db2.gz SRQTZWJWPISEBF-FXPVBKGRSA-N 0 3 227.304 0.926 20 0 BCADHN OCCN(C[C@@H](O)c1ccccn1)C1CCC1 ZINC000851971462 588649588 /nfs/dbraw/zinc/64/95/88/588649588.db2.gz QTOPCCTYMKDKQB-CYBMUJFWSA-N 0 3 236.315 0.962 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@@H]2CCC(=O)O2)[C@H]1C ZINC000851974971 588650092 /nfs/dbraw/zinc/65/00/92/588650092.db2.gz MRXBILJOKQQBTL-LPEHRKFASA-N 0 3 241.287 0.575 20 0 BCADHN C[C@H](O)CN(C[C@@H]1COC(C)(C)O1)[C@@H](C)CO ZINC000851972847 588650262 /nfs/dbraw/zinc/65/02/62/588650262.db2.gz SOMAJKDQKFIKLV-GARJFASQSA-N 0 3 247.335 0.202 20 0 BCADHN CO[C@@H]1CC[C@H](N2C[C@@H](C)O[C@H](CO)C2)C1 ZINC000851975977 588650446 /nfs/dbraw/zinc/65/04/46/588650446.db2.gz WERXNGWZCJXBPC-KXNHARMFSA-N 0 3 229.320 0.636 20 0 BCADHN CC(C)OC[C@H](CO)N(C)CCOC(F)F ZINC000851988109 588651331 /nfs/dbraw/zinc/65/13/31/588651331.db2.gz SUDFSABHOSACGJ-VIFPVBQESA-N 0 3 241.278 0.943 20 0 BCADHN CC1(C)CN(C[C@H](O)c2ccccn2)C[C@H]1O ZINC000851998585 588653973 /nfs/dbraw/zinc/65/39/73/588653973.db2.gz VPONAZNSLNIRRM-NWDGAFQWSA-N 0 3 236.315 0.818 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NC[C@H](O)c1ccccn1 ZINC000852012728 588655247 /nfs/dbraw/zinc/65/52/47/588655247.db2.gz NUQIGZLVOZCXGG-USWWRNFRSA-N 0 3 249.314 0.229 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCCOC(F)F ZINC000852014068 588655569 /nfs/dbraw/zinc/65/55/69/588655569.db2.gz YQZMUADYZPVTJK-NKWVEPMBSA-N 0 3 222.235 0.340 20 0 BCADHN CC(C)[C@@](C)(NC[C@@H]1COC(C)(C)O1)C(N)=O ZINC000852040895 588657117 /nfs/dbraw/zinc/65/71/17/588657117.db2.gz PLVJJESRQQFTRV-BXKDBHETSA-N 0 3 244.335 0.628 20 0 BCADHN O=C1CC[C@@H](CN2CC[C@H](n3cccn3)C2)O1 ZINC000852070256 588659227 /nfs/dbraw/zinc/65/92/27/588659227.db2.gz QXRWZUIIPOOUBW-QWRGUYRKSA-N 0 3 235.287 0.836 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C[C@@H](O)c2ccccn2)C1 ZINC000852074937 588659994 /nfs/dbraw/zinc/65/99/94/588659994.db2.gz GJXCTYVHVLADLQ-FPMFFAJLSA-N 0 3 247.342 0.751 20 0 BCADHN CN(C[C@H]1CCC(=O)O1)[C@H]1CCC(=O)N(C)C1 ZINC000852086505 588660885 /nfs/dbraw/zinc/66/08/85/588660885.db2.gz RTPLFFHUPYYKLH-VHSXEESVSA-N 0 3 240.303 0.245 20 0 BCADHN COC(CCN(C)[C@@H]1CCC(=O)N(C)C1)OC ZINC000852087137 588660972 /nfs/dbraw/zinc/66/09/72/588660972.db2.gz XHRZFEIGGQUJRA-SNVBAGLBSA-N 0 3 244.335 0.548 20 0 BCADHN C[C@@H]1CN(Cc2cnon2)CCN(C2CC2)C1 ZINC000852093794 588661417 /nfs/dbraw/zinc/66/14/17/588661417.db2.gz CWXAAJSYICSKST-SNVBAGLBSA-N 0 3 236.319 0.986 20 0 BCADHN O[C@@H](CN1CCC[C@@H](O)CC1)c1ccccn1 ZINC000852094218 588661498 /nfs/dbraw/zinc/66/14/98/588661498.db2.gz HYQXGEJSSGIJPA-YPMHNXCESA-N 0 3 236.315 0.962 20 0 BCADHN CN1CC[C@@]2(C1)CCCN(CC[S@](C)=O)C2 ZINC000852104968 588663543 /nfs/dbraw/zinc/66/35/43/588663543.db2.gz HLJPSCIKVVBHAX-WBMJQRKESA-N 0 3 244.404 0.783 20 0 BCADHN C[C@@H]1C[C@H](O)CN(CCOC(F)F)C1 ZINC000852149024 588667056 /nfs/dbraw/zinc/66/70/56/588667056.db2.gz CYBQRHXAIXYJKX-SFYZADRCSA-N 0 3 209.236 0.928 20 0 BCADHN C[C@@H]1C[C@H](O)CN(C[C@@H]2COC(C)(C)O2)C1 ZINC000852150129 588667691 /nfs/dbraw/zinc/66/76/91/588667691.db2.gz QGYKIUCNRIGYSH-OUAUKWLOSA-N 0 3 229.320 0.841 20 0 BCADHN C[C@H](O)CN(C[C@H]1COC(C)(C)O1)C1CC1 ZINC000852218758 588673593 /nfs/dbraw/zinc/67/35/93/588673593.db2.gz LGVNBVKGCQVUMS-ONGXEEELSA-N 0 3 229.320 0.983 20 0 BCADHN COC(CN(CCOCCO)C1CCC1)OC ZINC000852290024 588676181 /nfs/dbraw/zinc/67/61/81/588676181.db2.gz GUFKFTDTOGTACF-UHFFFAOYSA-N 0 3 247.335 0.469 20 0 BCADHN C[S@](=O)CCN(CCOCCO)C1CCC1 ZINC000852288603 588676607 /nfs/dbraw/zinc/67/66/07/588676607.db2.gz BEZTVKGKJYPRQW-INIZCTEOSA-N 0 3 249.376 0.228 20 0 BCADHN COC(=O)CCN1CCC2=C(CCC(=O)N2)C1 ZINC000852301996 588677300 /nfs/dbraw/zinc/67/73/00/588677300.db2.gz WMIYOHNXBJFIFR-UHFFFAOYSA-N 0 3 238.287 0.419 20 0 BCADHN CCC(=O)CCN1CCC[C@](CO)(OC)C1 ZINC000852411842 588681324 /nfs/dbraw/zinc/68/13/24/588681324.db2.gz LRDIFQQJZOKOJY-LBPRGKRZSA-N 0 3 229.320 0.829 20 0 BCADHN COCCCN1CC[C@H](N2CCOC2=O)C1 ZINC000852432949 588681955 /nfs/dbraw/zinc/68/19/55/588681955.db2.gz QZVRYTAKUFIYHO-JTQLQIEISA-N 0 3 228.292 0.549 20 0 BCADHN O=C1OCCN1[C@H]1CCN(C[C@@H](O)C2CC2)C1 ZINC000852439492 588682052 /nfs/dbraw/zinc/68/20/52/588682052.db2.gz DEMFVXYCOQHXQR-WDEREUQCSA-N 0 3 240.303 0.284 20 0 BCADHN O=C1OCCN1[C@H]1CCN(CCCCO)C1 ZINC000852434107 588682128 /nfs/dbraw/zinc/68/21/28/588682128.db2.gz WWURIGJAILBCOG-JTQLQIEISA-N 0 3 228.292 0.285 20 0 BCADHN C[C@H](O)CCN1CC[C@@H](N2CCOC2=O)C1 ZINC000852437888 588682200 /nfs/dbraw/zinc/68/22/00/588682200.db2.gz JRDBDNLWEVRNFE-VHSXEESVSA-N 0 3 228.292 0.284 20 0 BCADHN CN(C[C@@H]1COC(C)(C)O1)C[C@H]1COCCO1 ZINC000852498367 588685917 /nfs/dbraw/zinc/68/59/17/588685917.db2.gz GEDFNGYCRVIJDJ-WDEREUQCSA-N 0 3 245.319 0.485 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@H](C)[C@H]1O ZINC000852501097 588686126 /nfs/dbraw/zinc/68/61/26/588686126.db2.gz XIJYIWDWGFCUSZ-MIZYBKAJSA-N 0 3 227.304 0.641 20 0 BCADHN COC(CN1C[C@H]2COC[C@@]2(C)C1)OC ZINC000852533785 588688399 /nfs/dbraw/zinc/68/83/99/588688399.db2.gz CYQXEYPTFHRGEH-GXSJLCMTSA-N 0 3 215.293 0.574 20 0 BCADHN C[C@]12COC[C@H]1CN(CCN1CCOC1=O)C2 ZINC000852534696 588688894 /nfs/dbraw/zinc/68/88/94/588688894.db2.gz NWVQDRRFQURKRL-PWSUYJOCSA-N 0 3 240.303 0.407 20 0 BCADHN CC[C@H]([NH2+]CCCOC(=O)N=C(N)[O-])C1CC1 ZINC000852554864 588689576 /nfs/dbraw/zinc/68/95/76/588689576.db2.gz DYMLBRIIXISUHN-VIFPVBQESA-N 0 3 243.307 0.960 20 0 BCADHN CC[C@H]([NH2+]CCCOC([O-])=NC(N)=O)C1CC1 ZINC000852554864 588689577 /nfs/dbraw/zinc/68/95/77/588689577.db2.gz DYMLBRIIXISUHN-VIFPVBQESA-N 0 3 243.307 0.960 20 0 BCADHN COC(=O)/C(C)=C\CN1CCC[C@@H]1[C@H](C)O ZINC000852558749 588690578 /nfs/dbraw/zinc/69/05/78/588690578.db2.gz CUFINYIDBNCAJR-JDEZKBKISA-N 0 3 227.304 0.951 20 0 BCADHN C[S@](=O)CCN[C@H]1C[C@H](O)C12CCC2 ZINC000852583185 588691945 /nfs/dbraw/zinc/69/19/45/588691945.db2.gz SQHKZOJUAABACG-FZNYLWTLSA-N 0 3 217.334 0.258 20 0 BCADHN CN1CCN(CCCCCCO)CCC1=O ZINC000852581199 588691972 /nfs/dbraw/zinc/69/19/72/588691972.db2.gz SMQFGMZSLJNBQH-UHFFFAOYSA-N 0 3 228.336 0.703 20 0 BCADHN C[C@@H]1CCN(CC[S@@](C)=O)C[C@H](C)O1 ZINC000852588769 588692182 /nfs/dbraw/zinc/69/21/82/588692182.db2.gz ZGJQCDSXMLUXBN-ISTVAULSSA-N 0 3 219.350 0.864 20 0 BCADHN C(C1OCCO1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000852666400 588694474 /nfs/dbraw/zinc/69/44/74/588694474.db2.gz RWYZNASEAWTGKR-ZJUUUORDSA-N 0 3 213.277 0.328 20 0 BCADHN O=C1OCCN1CCN1CC[C@@H]2COC[C@H]2C1 ZINC000852670054 588695191 /nfs/dbraw/zinc/69/51/91/588695191.db2.gz VJIADCHFJXTJGH-GHMZBOCLSA-N 0 3 240.303 0.407 20 0 BCADHN CCN1C[C@H](CN2CCC3(COC3)C2)OC1=O ZINC000852683155 588695379 /nfs/dbraw/zinc/69/53/79/588695379.db2.gz GEVVWLWPRBDNQC-JTQLQIEISA-N 0 3 240.303 0.549 20 0 BCADHN CC(=O)CCN1CC[C@H](CN2CCCC2=O)C1 ZINC000852682299 588695624 /nfs/dbraw/zinc/69/56/24/588695624.db2.gz WJVFIZNFGODEOA-LBPRGKRZSA-N 0 3 238.331 0.910 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)CCC(OC)OC)C1 ZINC000852696180 588696235 /nfs/dbraw/zinc/69/62/35/588696235.db2.gz VPBPRXLRBBKTEN-AOOOYVTPSA-N 0 3 245.319 0.879 20 0 BCADHN CC1C[C@H]2CC[C@@H](C1)N2CCS(N)(=O)=O ZINC000852700027 588696550 /nfs/dbraw/zinc/69/65/50/588696550.db2.gz AWJXATPWLWSWLS-PBINXNQUSA-N 0 3 232.349 0.538 20 0 BCADHN CCOCCN1CCC(N2CCOC2=O)CC1 ZINC000852721951 588697280 /nfs/dbraw/zinc/69/72/80/588697280.db2.gz ZEKNOLPGQGIMGL-UHFFFAOYSA-N 0 3 242.319 0.940 20 0 BCADHN C[C@@H](O)CN1CCC(N2CCOC2=O)CC1 ZINC000852720516 588697888 /nfs/dbraw/zinc/69/78/88/588697888.db2.gz IRDZSAOGSRAIMN-SECBINFHSA-N 0 3 228.292 0.284 20 0 BCADHN CCN(CCc1ccccn1)C[C@H]1CNCCO1 ZINC000852746938 588699113 /nfs/dbraw/zinc/69/91/13/588699113.db2.gz VFJUERYPPDEJIY-CQSZACIVSA-N 0 3 249.358 0.934 20 0 BCADHN c1ccc([C@@H]2CCN(C[C@H]3CNCCO3)C2)nc1 ZINC000852750222 588699833 /nfs/dbraw/zinc/69/98/33/588699833.db2.gz ONISAQTVKNWIBH-CHWSQXEVSA-N 0 3 247.342 0.859 20 0 BCADHN COC[C@@H](CN1CCNC[C@@H]1C(F)F)OC ZINC000852750155 588699937 /nfs/dbraw/zinc/69/99/37/588699937.db2.gz WVUDNEMTPFYOCH-RKDXNWHRSA-N 0 3 238.278 0.187 20 0 BCADHN COC(=O)NC1CCN(C[C@H](C)O)CC1 ZINC000852763747 588700873 /nfs/dbraw/zinc/70/08/73/588700873.db2.gz XMIZJEPKILHPEC-QMMMGPOBSA-N 0 3 216.281 0.188 20 0 BCADHN Cn1c(Cl)cnc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000852760606 588700920 /nfs/dbraw/zinc/70/09/20/588700920.db2.gz JLGNVBYKIKTXAW-HTQZYQBOSA-N 0 3 246.717 0.945 20 0 BCADHN COC(=O)NC1CCN(C[C@@H](O)C(C)C)CC1 ZINC000852762980 588701011 /nfs/dbraw/zinc/70/10/11/588701011.db2.gz CHOTUKHQYORKLM-LLVKDONJSA-N 0 3 244.335 0.824 20 0 BCADHN COC(=O)NC1CCN(CCCCO)CC1 ZINC000852769310 588701345 /nfs/dbraw/zinc/70/13/45/588701345.db2.gz SEUZNGMUZFHXBE-UHFFFAOYSA-N 0 3 230.308 0.579 20 0 BCADHN COC(=O)NC1CCN(CCCO)CC1 ZINC000852768786 588701349 /nfs/dbraw/zinc/70/13/49/588701349.db2.gz HOHHYZGMOWMSAE-UHFFFAOYSA-N 0 3 216.281 0.189 20 0 BCADHN CCCCNC(=O)[C@@H]1NCC12CCOCC2 ZINC000852774418 588701868 /nfs/dbraw/zinc/70/18/68/588701868.db2.gz VCWHGHVGOKGNJN-JTQLQIEISA-N 0 3 226.320 0.671 20 0 BCADHN Cn1ccc(NC(=O)[C@@H]2NCC23CCCC3)n1 ZINC000852776672 588701944 /nfs/dbraw/zinc/70/19/44/588701944.db2.gz YKGPVBSCDZBSSA-JTQLQIEISA-N 0 3 234.303 0.891 20 0 BCADHN Cn1ccc(NC(=O)[C@H]2NCC23CCCC3)n1 ZINC000852776673 588701959 /nfs/dbraw/zinc/70/19/59/588701959.db2.gz YKGPVBSCDZBSSA-SNVBAGLBSA-N 0 3 234.303 0.891 20 0 BCADHN CCCCNC(=O)[C@H]1NCC12CCOCC2 ZINC000852774419 588701988 /nfs/dbraw/zinc/70/19/88/588701988.db2.gz VCWHGHVGOKGNJN-SNVBAGLBSA-N 0 3 226.320 0.671 20 0 BCADHN COCCCNC(=O)[C@@H]1NCC12CCCC2 ZINC000852774430 588701991 /nfs/dbraw/zinc/70/19/91/588701991.db2.gz VLBKAEVUZJXFFL-JTQLQIEISA-N 0 3 226.320 0.671 20 0 BCADHN CC12CC(C1)CN2CCN1CCOC1=O ZINC000852785467 588702446 /nfs/dbraw/zinc/70/24/46/588702446.db2.gz LDPXTCVKBQKTEK-UHFFFAOYSA-N 0 3 210.277 0.923 20 0 BCADHN C[C@@H]1CCC[C@@H](C)N1C(=O)C1=NO[C@H](CN)C1 ZINC000852799421 588703903 /nfs/dbraw/zinc/70/39/03/588703903.db2.gz GTDPOPACCJHUEI-BBBLOLIVSA-N 0 3 239.319 0.880 20 0 BCADHN CCCCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852799547 588703973 /nfs/dbraw/zinc/70/39/73/588703973.db2.gz HTFDNVYFNMEDCV-MRVPVSSYSA-N 0 3 213.281 0.396 20 0 BCADHN Cc1csc(NC(=O)C2=NO[C@@H](CN)C2)n1 ZINC000852799899 588704019 /nfs/dbraw/zinc/70/40/19/588704019.db2.gz IYHJYAXXITZVKE-ZCFIWIBFSA-N 0 3 240.288 0.494 20 0 BCADHN NC[C@H]1CC(C(=O)Nc2cccc(F)c2)=NO1 ZINC000852798874 588704055 /nfs/dbraw/zinc/70/40/55/588704055.db2.gz BSUPBCPDBYLNLB-SECBINFHSA-N 0 3 237.234 0.868 20 0 BCADHN COc1ccccc1NC(=O)C1=NO[C@H](CN)C1 ZINC000852800162 588704357 /nfs/dbraw/zinc/70/43/57/588704357.db2.gz LTWJLGJQAOEXFT-QMMMGPOBSA-N 0 3 249.270 0.737 20 0 BCADHN NC[C@H]1CC(C(=O)NCCc2ccccc2)=NO1 ZINC000852801024 588704372 /nfs/dbraw/zinc/70/43/72/588704372.db2.gz WDAWXNLOJYTUPX-LLVKDONJSA-N 0 3 247.298 0.449 20 0 BCADHN CN(C(=O)C1=NO[C@H](CN)C1)c1nccs1 ZINC000852815234 588704870 /nfs/dbraw/zinc/70/48/70/588704870.db2.gz RVEUJMYWOCRPRG-LURJTMIESA-N 0 3 240.288 0.210 20 0 BCADHN CC(C)CN(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852810488 588704957 /nfs/dbraw/zinc/70/49/57/588704957.db2.gz VDRJDPQRHCYAPX-MRVPVSSYSA-N 0 3 213.281 0.204 20 0 BCADHN Cc1noc(C)c1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852810984 588705017 /nfs/dbraw/zinc/70/50/17/588705017.db2.gz ZVANFASLGVUIBW-SSDOTTSWSA-N 0 3 238.247 0.334 20 0 BCADHN NC[C@@H]1CC(C(=O)NCc2ccsc2)=NO1 ZINC000852811759 588705226 /nfs/dbraw/zinc/70/52/26/588705226.db2.gz SHRYDDWAADYLRT-QMMMGPOBSA-N 0 3 239.300 0.468 20 0 BCADHN CC(C)N(C(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000852815400 588705421 /nfs/dbraw/zinc/70/54/21/588705421.db2.gz ZGGJEGOWDHASTC-VIFPVBQESA-N 0 3 225.292 0.489 20 0 BCADHN CC[C@H](C)[C@@H](C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852819812 588705616 /nfs/dbraw/zinc/70/56/16/588705616.db2.gz KWEUOTSVZBBERX-DJLDLDEBSA-N 0 3 227.308 0.641 20 0 BCADHN CC[C@H](C)[C@@H](C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852819816 588705667 /nfs/dbraw/zinc/70/56/67/588705667.db2.gz KWEUOTSVZBBERX-YIZRAAEISA-N 0 3 227.308 0.641 20 0 BCADHN CCC[C@H](CC)NC(=O)C1=NO[C@H](CN)C1 ZINC000852823672 588705820 /nfs/dbraw/zinc/70/58/20/588705820.db2.gz RZNALVXYLWZOBI-IUCAKERBSA-N 0 3 227.308 0.785 20 0 BCADHN CCCC(C)(C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852826992 588706068 /nfs/dbraw/zinc/70/60/68/588706068.db2.gz XUUISOIRVHRIRY-MRVPVSSYSA-N 0 3 227.308 0.785 20 0 BCADHN NC[C@H]1CC(C(=O)NC2CCSCC2)=NO1 ZINC000852829076 588706500 /nfs/dbraw/zinc/70/65/00/588706500.db2.gz ZQCYGMUEARJJSO-MRVPVSSYSA-N 0 3 243.332 0.102 20 0 BCADHN NC[C@@H]1CC(C(=O)NC2CCSCC2)=NO1 ZINC000852829077 588706599 /nfs/dbraw/zinc/70/65/99/588706599.db2.gz ZQCYGMUEARJJSO-QMMMGPOBSA-N 0 3 243.332 0.102 20 0 BCADHN C[C@H]1CCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852837092 588707215 /nfs/dbraw/zinc/70/72/15/588707215.db2.gz DIHFROULPZPWTH-JGVFFNPUSA-N 0 3 211.265 0.101 20 0 BCADHN C[C@H]1CC[C@H](NC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852836489 588707247 /nfs/dbraw/zinc/70/72/47/588707247.db2.gz AQMVXSMKZXZTEP-GUBZILKMSA-N 0 3 239.319 0.785 20 0 BCADHN COC1CC(CCNC(=O)[C@]2(F)CCNC2)C1 ZINC000852840668 588707344 /nfs/dbraw/zinc/70/73/44/588707344.db2.gz XJGHPLFCYGAJBO-CBINBANVSA-N 0 3 244.310 0.619 20 0 BCADHN CSC(C)(C)CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852842301 588707709 /nfs/dbraw/zinc/70/77/09/588707709.db2.gz ZEUXFBIORKWVKP-SSDOTTSWSA-N 0 3 245.348 0.348 20 0 BCADHN CC(C)[C@@H](C)CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852844600 588707712 /nfs/dbraw/zinc/70/77/12/588707712.db2.gz XVZRVMLZPKKUBA-DTWKUNHWSA-N 0 3 227.308 0.498 20 0 BCADHN CSC(C)(C)CNC(=O)C1=NO[C@H](CN)C1 ZINC000852842302 588707734 /nfs/dbraw/zinc/70/77/34/588707734.db2.gz ZEUXFBIORKWVKP-ZETCQYMHSA-N 0 3 245.348 0.348 20 0 BCADHN CC1(CNC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852847947 588707911 /nfs/dbraw/zinc/70/79/11/588707911.db2.gz ZMPDFKHTCSRYFL-ZETCQYMHSA-N 0 3 211.265 0.006 20 0 BCADHN Cn1ccsc1=NC(=O)[C@@H]1NCCC1(C)C ZINC000852853538 588708163 /nfs/dbraw/zinc/70/81/63/588708163.db2.gz IDVDXRMXTTWXPG-QMMMGPOBSA-N 0 3 239.344 0.902 20 0 BCADHN CCC[C@@H]1C[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852851293 588708333 /nfs/dbraw/zinc/70/83/33/588708333.db2.gz BOPWCPIBLDDKFS-HRDYMLBCSA-N 0 3 225.292 0.395 20 0 BCADHN CNCC(=O)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000852855576 588708474 /nfs/dbraw/zinc/70/84/74/588708474.db2.gz FWYYSDCJQZAODI-GHMZBOCLSA-N 0 3 220.272 0.500 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](O)c2ccccc21 ZINC000852855232 588708535 /nfs/dbraw/zinc/70/85/35/588708535.db2.gz XDQQNZXKTYHOPM-USZNOCQGSA-N 0 3 232.283 0.628 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)C[C@H]1COCCO1 ZINC000852855987 588708604 /nfs/dbraw/zinc/70/86/04/588708604.db2.gz KMKSCDRFAUJFOW-KOLCDFICSA-N 0 3 242.319 0.001 20 0 BCADHN CN(CC1=CCCOC1)C(=O)[C@@H]1C[C@@H]1N ZINC000852855048 588708612 /nfs/dbraw/zinc/70/86/12/588708612.db2.gz UUVLMFKSHNKPHW-ZJUUUORDSA-N 0 3 210.277 0.139 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)C[C@@H]1COCCO1 ZINC000852855986 588708615 /nfs/dbraw/zinc/70/86/15/588708615.db2.gz KMKSCDRFAUJFOW-GXSJLCMTSA-N 0 3 242.319 0.001 20 0 BCADHN O=C(Nc1cnc2ccccn12)[C@@]1(F)CCNC1 ZINC000852854619 588708672 /nfs/dbraw/zinc/70/86/72/588708672.db2.gz LJEOLNFYVGGCEZ-GFCCVEGCSA-N 0 3 248.261 0.974 20 0 BCADHN CN(CC1=CCCOC1)C(=O)[C@]1(F)CCNC1 ZINC000852855194 588708690 /nfs/dbraw/zinc/70/86/90/588708690.db2.gz WKFLVUWJHMYINL-LBPRGKRZSA-N 0 3 242.294 0.493 20 0 BCADHN Cc1cccc(NC(=O)C2=NO[C@@H](CN)C2)n1 ZINC000852854277 588708694 /nfs/dbraw/zinc/70/86/94/588708694.db2.gz BPDVOBLHRRRLNB-MRVPVSSYSA-N 0 3 234.259 0.432 20 0 BCADHN Cc1ccnc(NC(=O)C2=NO[C@@H](CN)C2)c1 ZINC000852856679 588709008 /nfs/dbraw/zinc/70/90/08/588709008.db2.gz SXXNNGDRWRVTGA-MRVPVSSYSA-N 0 3 234.259 0.432 20 0 BCADHN Cc1cccnc1CNC(=O)C1=NO[C@H](CN)C1 ZINC000852862941 588709165 /nfs/dbraw/zinc/70/91/65/588709165.db2.gz IBTQDNYPTGGDLG-VIFPVBQESA-N 0 3 248.286 0.110 20 0 BCADHN Cc1cncc(CCNC(=O)[C@H](C)NC2CC2)n1 ZINC000852863694 588709206 /nfs/dbraw/zinc/70/92/06/588709206.db2.gz XWTNQRMTQSIYFV-JTQLQIEISA-N 0 3 248.330 0.584 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000852871809 588709820 /nfs/dbraw/zinc/70/98/20/588709820.db2.gz WYDMZIFNQJDLKV-CKIKVBCHSA-N 0 3 246.285 0.927 20 0 BCADHN CCC/C=C\C(=O)NCCNCCOC ZINC000852873938 588709860 /nfs/dbraw/zinc/70/98/60/588709860.db2.gz HQURJCBYTWAAQA-WAYWQWQTSA-N 0 3 214.309 0.695 20 0 BCADHN CN(Cc1cccnc1)C(=O)C1=NO[C@H](CN)C1 ZINC000852873830 588709977 /nfs/dbraw/zinc/70/99/77/588709977.db2.gz FBTZEYQPQHNTSN-JTQLQIEISA-N 0 3 248.286 0.144 20 0 BCADHN COCCNCCNC(=O)C(C)(C)SC ZINC000852874952 588710038 /nfs/dbraw/zinc/71/00/38/588710038.db2.gz XMFXMNMRKQWMGH-UHFFFAOYSA-N 0 3 234.365 0.480 20 0 BCADHN CNc1ccc(NC(=O)C2=NO[C@@H](CN)C2)cn1 ZINC000852880907 588710987 /nfs/dbraw/zinc/71/09/87/588710987.db2.gz GBVUATGDQWZKTR-MRVPVSSYSA-N 0 3 249.274 0.165 20 0 BCADHN CCc1ncc(NC(=O)C2=NO[C@H](CN)C2)cn1 ZINC000852883470 588711211 /nfs/dbraw/zinc/71/12/11/588711211.db2.gz FWBUYZFVFMFRSS-QMMMGPOBSA-N 0 3 249.274 0.081 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000852897780 588712314 /nfs/dbraw/zinc/71/23/14/588712314.db2.gz MTZORBORANNPSM-ZYHUDNBSSA-N 0 3 244.310 0.716 20 0 BCADHN COC(=O)[C@@]1(F)CCN(C(=O)CNC(C)C)C1 ZINC000852897395 588712370 /nfs/dbraw/zinc/71/23/70/588712370.db2.gz KHWXUYVCNZLGSN-LLVKDONJSA-N 0 3 246.282 0.098 20 0 BCADHN CC[C@H](C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852902201 588712454 /nfs/dbraw/zinc/71/24/54/588712454.db2.gz BZVAUMGXGJEUEN-DTWKUNHWSA-N 0 3 227.308 0.642 20 0 BCADHN C[C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)[C@H](C)C1 ZINC000852903166 588712521 /nfs/dbraw/zinc/71/25/21/588712521.db2.gz VRJMYZDEPNHGHJ-BBBLOLIVSA-N 0 3 239.319 0.737 20 0 BCADHN NCc1cccc(C(=O)NCCCCO)c1 ZINC000852902565 588712609 /nfs/dbraw/zinc/71/26/09/588712609.db2.gz IGGLEXKMTBZNFQ-UHFFFAOYSA-N 0 3 222.288 0.648 20 0 BCADHN CC[C@@H](C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852902200 588712637 /nfs/dbraw/zinc/71/26/37/588712637.db2.gz BZVAUMGXGJEUEN-BDAKNGLRSA-N 0 3 227.308 0.642 20 0 BCADHN COC(=O)CCCN(C)C(=O)[C@]1(F)CCNC1 ZINC000852912864 588712795 /nfs/dbraw/zinc/71/27/95/588712795.db2.gz HFJDUBYALDDCJQ-NSHDSACASA-N 0 3 246.282 0.100 20 0 BCADHN NCC(=O)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000852907419 588712956 /nfs/dbraw/zinc/71/29/56/588712956.db2.gz LMDHPBRRHZPQDV-NXEZZACHSA-N 0 3 206.245 0.240 20 0 BCADHN C[C@]1(CNC(=O)C2=NO[C@H](CN)C2)CC1(F)F ZINC000852908548 588712964 /nfs/dbraw/zinc/71/29/64/588712964.db2.gz IZVNYIXZWITQQN-IMTBSYHQSA-N 0 3 247.245 0.252 20 0 BCADHN NC[C@H]1CC(C(=O)NCCCC2CCC2)=NO1 ZINC000852909707 588712975 /nfs/dbraw/zinc/71/29/75/588712975.db2.gz YBTBXKZHQVEREQ-SNVBAGLBSA-N 0 3 239.319 0.787 20 0 BCADHN C[C@H](NC(=O)[C@]1(F)CCNC1)c1nccn1C ZINC000852916797 588712994 /nfs/dbraw/zinc/71/29/94/588712994.db2.gz BNJCYQKAQFMXLA-KWQFWETISA-N 0 3 240.282 0.299 20 0 BCADHN CC1(C)C[C@@]1(C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852915365 588713131 /nfs/dbraw/zinc/71/31/31/588713131.db2.gz DGUOOUUQJKTBHF-WRWORJQWSA-N 0 3 225.292 0.395 20 0 BCADHN CC(C)[C@@H](NC(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000852915437 588713139 /nfs/dbraw/zinc/71/31/39/588713139.db2.gz FVMFYDQPPMSRAJ-GXSJLCMTSA-N 0 3 239.319 0.641 20 0 BCADHN CC(C)CC1(NC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852917155 588713175 /nfs/dbraw/zinc/71/31/75/588713175.db2.gz VUEJXTSFNWHKQS-VIFPVBQESA-N 0 3 239.319 0.785 20 0 BCADHN CCNCC(=O)N(C)c1ccc(OC)nc1 ZINC000852913542 588713207 /nfs/dbraw/zinc/71/32/07/588713207.db2.gz ZNHMVOOXNSIIGO-UHFFFAOYSA-N 0 3 223.276 0.663 20 0 BCADHN CNC(=S)NC1CCN(C(C)C)CC1 ZINC000013784063 589176605 /nfs/dbraw/zinc/17/66/05/589176605.db2.gz CWOMLQMWWYMBNS-UHFFFAOYSA-N 0 3 215.366 0.953 20 0 BCADHN CN(C)C1(C(=O)N2CCc3[nH]cnc3C2)CCC1 ZINC000861761063 589176743 /nfs/dbraw/zinc/17/67/43/589176743.db2.gz VXSXEGADERUXFW-UHFFFAOYSA-N 0 3 248.330 0.779 20 0 BCADHN CN(C)C1(C(=O)N2CCc3nc[nH]c3C2)CCC1 ZINC000861761063 589176744 /nfs/dbraw/zinc/17/67/44/589176744.db2.gz VXSXEGADERUXFW-UHFFFAOYSA-N 0 3 248.330 0.779 20 0 BCADHN CCS(=O)(=O)CCN1CCC(N(C)C)CC1 ZINC000118532613 589177591 /nfs/dbraw/zinc/17/75/91/589177591.db2.gz TXBLSTKWTRXQAV-UHFFFAOYSA-N 0 3 248.392 0.447 20 0 BCADHN CN(C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC(=O)C3)C[C@H]21 ZINC000861914643 589183704 /nfs/dbraw/zinc/18/37/04/589183704.db2.gz VAZURELYQLAOFE-YJQGPUDQSA-N 0 3 236.315 0.374 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1COCO1)N(CC)CC ZINC000861972248 589186716 /nfs/dbraw/zinc/18/67/16/589186716.db2.gz QIVXKIXRTYEGLS-WDEREUQCSA-N 0 3 244.335 0.596 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1COCO1 ZINC000861971766 589186728 /nfs/dbraw/zinc/18/67/28/589186728.db2.gz OAHIPDBQPURLGJ-MXWKQRLJSA-N 0 3 242.319 0.348 20 0 BCADHN CNC(=O)C1CN(C[C@]2(C)CCCS2)C1 ZINC000862389156 589206373 /nfs/dbraw/zinc/20/63/73/589206373.db2.gz GRXNAUOYNBRYBP-NSHDSACASA-N 0 3 228.361 0.950 20 0 BCADHN CN(C[C@H]1CCC=CO1)[C@@]1(CO)CCOC1 ZINC000862427426 589212568 /nfs/dbraw/zinc/21/25/68/589212568.db2.gz YIGMNVJZEQIQCY-VXGBXAGGSA-N 0 3 227.304 0.762 20 0 BCADHN CCON(CC)C(=O)CN[C@@H](CC)COC ZINC000862451717 589215306 /nfs/dbraw/zinc/21/53/06/589215306.db2.gz GKSWIFYLRPLUQU-JTQLQIEISA-N 0 3 232.324 0.801 20 0 BCADHN COC(=O)C1=CC[C@@H](NCc2ccnn2C)C1 ZINC000862464568 589216080 /nfs/dbraw/zinc/21/60/80/589216080.db2.gz BXDWTDNDSSBNJP-SNVBAGLBSA-N 0 3 235.287 0.772 20 0 BCADHN COC(=O)C1=CC[C@@H](NCc2cnn(C)c2)C1 ZINC000862466510 589216747 /nfs/dbraw/zinc/21/67/47/589216747.db2.gz ZRCFCUPASJQGMQ-LLVKDONJSA-N 0 3 235.287 0.772 20 0 BCADHN COC[C@@H](C)CN[C@H](C)C(=O)N(C)OC ZINC000862542677 589218881 /nfs/dbraw/zinc/21/88/81/589218881.db2.gz WZTMVHLALLIRHV-DTWKUNHWSA-N 0 3 218.297 0.267 20 0 BCADHN CONC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000119077392 589237130 /nfs/dbraw/zinc/23/71/30/589237130.db2.gz PBTBSKLVUWJUTG-SNVBAGLBSA-N 0 3 229.324 0.967 20 0 BCADHN COc1cc(NC(=S)NCCN(C)C)[nH]n1 ZINC000863212832 589271990 /nfs/dbraw/zinc/27/19/90/589271990.db2.gz OUKZZHSUUPKBBT-UHFFFAOYSA-N 0 3 243.336 0.266 20 0 BCADHN CCC/C=C\C(=O)NCCN1CC[C@@H](O)C1 ZINC000863315629 589278790 /nfs/dbraw/zinc/27/87/90/589278790.db2.gz APEZLUXKQXZTOT-DOGVGXBMSA-N 0 3 226.320 0.526 20 0 BCADHN CC/C(C)=C/C(=O)NCCN1CC[C@@H](O)C1 ZINC000863318811 589279197 /nfs/dbraw/zinc/27/91/97/589279197.db2.gz WEFUMRBSAOFKSN-RJCSOLBVSA-N 0 3 226.320 0.526 20 0 BCADHN CCC/C(C)=C/C(=O)NCCN1CC[C@@H](O)C1 ZINC000863324332 589279822 /nfs/dbraw/zinc/27/98/22/589279822.db2.gz VEUWMEQHHPNTAI-LMMOQWNQSA-N 0 3 240.347 0.916 20 0 BCADHN CN(C)C1(C(=O)N(C)C[C@H]2C[C@@H](O)C2)CCC1 ZINC000863383198 589285555 /nfs/dbraw/zinc/28/55/55/589285555.db2.gz KNVVDCASDPHVEU-PHIMTYICSA-N 0 3 240.347 0.700 20 0 BCADHN CN(C)C1(C(=O)NCc2ccc(=O)[nH]c2)CCC1 ZINC000119451466 589288169 /nfs/dbraw/zinc/28/81/69/589288169.db2.gz WZFNHJLMWOQATD-UHFFFAOYSA-N 0 3 249.314 0.888 20 0 BCADHN CN(C)C1(C(=O)NCc2ccc[nH]c2=O)CCC1 ZINC000863492629 589294372 /nfs/dbraw/zinc/29/43/72/589294372.db2.gz DIORTQRROXXZIB-UHFFFAOYSA-N 0 3 249.314 0.888 20 0 BCADHN CN1CCC[C@H]1CNC(=O)[C@H](O)c1ccccn1 ZINC000863504074 589294458 /nfs/dbraw/zinc/29/44/58/589294458.db2.gz XZFSAZRLZIKHCC-CMPLNLGQSA-N 0 3 249.314 0.325 20 0 BCADHN COC/C=C/C(=O)NC[C@@H]1CCCN1C ZINC000863503448 589294782 /nfs/dbraw/zinc/29/47/82/589294782.db2.gz GGMGLJFGKGJEMU-RWCYGVJQSA-N 0 3 212.293 0.399 20 0 BCADHN CC(C)CC[C@H](CO)NCCS(C)(=O)=O ZINC000863574381 589301089 /nfs/dbraw/zinc/30/10/89/589301089.db2.gz BJLDOYWHDARREW-SNVBAGLBSA-N 0 3 237.365 0.418 20 0 BCADHN FC1(F)CCNC[C@H]1NCC1=CCCOC1 ZINC000863642029 589306582 /nfs/dbraw/zinc/30/65/82/589306582.db2.gz PBTINEBOTDROOC-SNVBAGLBSA-N 0 3 232.274 0.920 20 0 BCADHN Cc1oncc1-c1cnn2c1CNCC2 ZINC000863692509 589311105 /nfs/dbraw/zinc/31/11/05/589311105.db2.gz GRWIXUILWNHNKW-UHFFFAOYSA-N 0 3 204.233 0.950 20 0 BCADHN COc1ncncc1-c1cnn(CCN(C)C)c1 ZINC000863726200 589312994 /nfs/dbraw/zinc/31/29/94/589312994.db2.gz FKOGCIDBCBDWDX-UHFFFAOYSA-N 0 3 247.302 0.910 20 0 BCADHN CC(C)=CC(=O)NCCN1CC[C@H](O)C1 ZINC000863829896 589321586 /nfs/dbraw/zinc/32/15/86/589321586.db2.gz MHURIKZTDMDZOB-JTQLQIEISA-N 0 3 212.293 0.135 20 0 BCADHN CC/C(C)=C/C(=O)NCCN1CC[C@H](O)C1 ZINC000863833777 589321919 /nfs/dbraw/zinc/32/19/19/589321919.db2.gz WEFUMRBSAOFKSN-UQSGXBNBSA-N 0 3 226.320 0.526 20 0 BCADHN CN(CC(=O)NCc1cncn1C)C1CCC1 ZINC000863917774 589325708 /nfs/dbraw/zinc/32/57/08/589325708.db2.gz UUXRUBAYECXYNM-UHFFFAOYSA-N 0 3 236.319 0.521 20 0 BCADHN CN(CC(=O)N1CC[C@@H](O)C1(C)C)C1CCC1 ZINC000863918260 589326062 /nfs/dbraw/zinc/32/60/62/589326062.db2.gz JHLJOMWSJUSLAL-LLVKDONJSA-N 0 3 240.347 0.843 20 0 BCADHN O[C@H](CN1CC[C@@H]2C[C@@H]21)CC1(O)CCOCC1 ZINC000863969780 589329572 /nfs/dbraw/zinc/32/95/72/589329572.db2.gz ZSUVRLXIGBPJHW-WOPDTQHZSA-N 0 3 241.331 0.373 20 0 BCADHN CN(C[C@@H](O)CC1(O)CCOCC1)C1CC1 ZINC000863968653 589329975 /nfs/dbraw/zinc/32/99/75/589329975.db2.gz LMYYZTBBTMWVTC-NSHDSACASA-N 0 3 229.320 0.373 20 0 BCADHN CC(C)(C)N1CC[C@@H](NCc2cnc[nH]2)C1=O ZINC000864049829 589334689 /nfs/dbraw/zinc/33/46/89/589334689.db2.gz MBDWKGZXWMZVIM-SNVBAGLBSA-N 0 3 236.319 0.899 20 0 BCADHN CN1CCC2(CC1)CN(C(=O)CCF)CCO2 ZINC000864065740 589337664 /nfs/dbraw/zinc/33/76/64/589337664.db2.gz QBZDORVWBKDTCU-UHFFFAOYSA-N 0 3 244.310 0.669 20 0 BCADHN Cc1cncn1CC(=O)N1CC(N2CCCC2)C1 ZINC000864066552 589338163 /nfs/dbraw/zinc/33/81/63/589338163.db2.gz BUCCZMUOXMZTAO-UHFFFAOYSA-N 0 3 248.330 0.498 20 0 BCADHN O=C(Cc1cnc[nH]1)N1CC(N2CCCC2)C1 ZINC000864068473 589338183 /nfs/dbraw/zinc/33/81/83/589338183.db2.gz SCPLGCLFOUDNPR-UHFFFAOYSA-N 0 3 234.303 0.259 20 0 BCADHN CO[C@H](CNC(=O)C(C)(C)N)C(C)(C)C ZINC000119933656 589348419 /nfs/dbraw/zinc/34/84/19/589348419.db2.gz FQAHBGHZFWFCFN-MRVPVSSYSA-N 0 3 216.325 0.901 20 0 BCADHN CC(C)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000864407437 589359269 /nfs/dbraw/zinc/35/92/69/589359269.db2.gz DQPRPIMLHCMSSL-JTQLQIEISA-N 0 3 243.351 0.539 20 0 BCADHN COCCN(CCOC)CC[C@@H]1CCOC1=O ZINC000120041931 589363602 /nfs/dbraw/zinc/36/36/02/589363602.db2.gz LBVFNIAIKVMGDJ-LLVKDONJSA-N 0 3 245.319 0.534 20 0 BCADHN CC[C@@](C)(O)CNC(=O)C1(N(C)C)CCC1 ZINC000120094057 589375602 /nfs/dbraw/zinc/37/56/02/589375602.db2.gz UNUUZZLGMQVMLE-LLVKDONJSA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)N1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000120130617 589382924 /nfs/dbraw/zinc/38/29/24/589382924.db2.gz PKFVRVGVOUHPMS-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CCN1CCC(NC(=O)[C@H]2CCC(=O)O2)CC1 ZINC000864610903 589383660 /nfs/dbraw/zinc/38/36/60/589383660.db2.gz VMVNWZZRJIGFHI-SNVBAGLBSA-N 0 3 240.303 0.293 20 0 BCADHN Cc1cccnc1-n1cc([C@@H](C)N)nn1 ZINC000864636163 589386152 /nfs/dbraw/zinc/38/61/52/589386152.db2.gz AQVNPWQTUPWPJA-MRVPVSSYSA-N 0 3 203.249 0.990 20 0 BCADHN COCCN(C)CC[C@@H]1CCOC1=O ZINC000120216352 589393272 /nfs/dbraw/zinc/39/32/72/589393272.db2.gz LYUHOIFRPKAUDB-SECBINFHSA-N 0 3 201.266 0.518 20 0 BCADHN O=C1OCC[C@H]1CCN1CCN(C2CC2)CC1 ZINC000120278506 589399068 /nfs/dbraw/zinc/39/90/68/589399068.db2.gz GSXNXYWKIMEHIH-LLVKDONJSA-N 0 3 238.331 0.720 20 0 BCADHN CCNC(=S)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000865243962 589415215 /nfs/dbraw/zinc/41/52/15/589415215.db2.gz XOQWGMFPJJJOFC-VIFPVBQESA-N 0 3 245.392 0.316 20 0 BCADHN CN(C)CCSCCc1nnnn1C ZINC000865359926 589425758 /nfs/dbraw/zinc/42/57/58/589425758.db2.gz YYYOUXSWWXRRBZ-UHFFFAOYSA-N 0 3 215.326 0.047 20 0 BCADHN COC[C@@H](C)CN(C)[C@@H]1CCCCNC1=O ZINC000120556496 589434696 /nfs/dbraw/zinc/43/46/96/589434696.db2.gz KXQAKUCPKNOHOC-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN Cn1ncc2cc(CNC3(CO)CCC3)cnc21 ZINC000865495100 589440898 /nfs/dbraw/zinc/44/08/98/589440898.db2.gz GGOFBWRRYPOAPL-UHFFFAOYSA-N 0 3 246.314 0.973 20 0 BCADHN CC1(CNCc2ccc(=O)[nH]c2)OCCO1 ZINC000865518651 589442935 /nfs/dbraw/zinc/44/29/35/589442935.db2.gz ROYINVKYHRTGQP-UHFFFAOYSA-N 0 3 224.260 0.640 20 0 BCADHN COC[C@@H](O)CNCc1cnc(Cl)c(F)c1 ZINC000865556287 589446519 /nfs/dbraw/zinc/44/65/19/589446519.db2.gz BODQWYABFVIKDF-QMMMGPOBSA-N 0 3 248.685 0.971 20 0 BCADHN Cn1cncc1CN[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865692454 589456427 /nfs/dbraw/zinc/45/64/27/589456427.db2.gz KOJUCLUHEMTBCW-WXDOIIRRSA-N 0 3 233.315 0.933 20 0 BCADHN Cn1cnc(CN[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000865696226 589456818 /nfs/dbraw/zinc/45/68/18/589456818.db2.gz QQORDTKIRPSHAB-XZPDDHLCSA-N 0 3 233.315 0.933 20 0 BCADHN Cn1cnc(CN[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1 ZINC000865696225 589456912 /nfs/dbraw/zinc/45/69/12/589456912.db2.gz QQORDTKIRPSHAB-WXDOIIRRSA-N 0 3 233.315 0.933 20 0 BCADHN CNS(=O)(=O)CCCNCc1ccoc1 ZINC000865706861 589457646 /nfs/dbraw/zinc/45/76/46/589457646.db2.gz JHGAVLYDTYGUCO-UHFFFAOYSA-N 0 3 232.305 0.309 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cccc2n[nH]cc21 ZINC000865737989 589459380 /nfs/dbraw/zinc/45/93/80/589459380.db2.gz ISZRFTLNLSYTRO-UFBFGSQYSA-N 0 3 235.287 0.394 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1cccc2n[nH]cc21 ZINC000865737988 589459507 /nfs/dbraw/zinc/45/95/07/589459507.db2.gz ISZRFTLNLSYTRO-QPUJVOFHSA-N 0 3 235.287 0.394 20 0 BCADHN CS[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC000865734423 589459566 /nfs/dbraw/zinc/45/95/66/589459566.db2.gz XXKYCHYLQMSNQI-XWEPSHTISA-N 0 3 212.322 0.799 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cc2cnccc2o1 ZINC000865738149 589459637 /nfs/dbraw/zinc/45/96/37/589459637.db2.gz JPTUXORSOXAJCQ-KWQFWETISA-N 0 3 236.271 0.659 20 0 BCADHN Cc1nc(F)ccc1CNC[C@@H](O)[C@@H](C)O ZINC000865739014 589459772 /nfs/dbraw/zinc/45/97/72/589459772.db2.gz MDTSXWIPXHVGLB-PSASIEDQSA-N 0 3 228.267 0.360 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cccc2nccn21 ZINC000865738405 589459838 /nfs/dbraw/zinc/45/98/38/589459838.db2.gz FHLCLTOSSWNPDR-ONGXEEELSA-N 0 3 235.287 0.166 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1ccc2c(c1)ncn2C ZINC000865738653 589459840 /nfs/dbraw/zinc/45/98/40/589459840.db2.gz IORVZAHYCHMPKP-TVQRCGJNSA-N 0 3 249.314 0.405 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1cccc2nccn21 ZINC000865738404 589459883 /nfs/dbraw/zinc/45/98/83/589459883.db2.gz FHLCLTOSSWNPDR-MWLCHTKSSA-N 0 3 235.287 0.166 20 0 BCADHN C[C@H](O)[C@H](O)CNCC1=Cc2ccccc2OC1 ZINC000865742302 589460021 /nfs/dbraw/zinc/46/00/21/589460021.db2.gz YCGJVSYAOMNRPF-GXFFZTMASA-N 0 3 249.310 0.794 20 0 BCADHN COc1cc(CNC[C@H](O)[C@H](C)O)ccc1C ZINC000865739756 589460163 /nfs/dbraw/zinc/46/01/63/589460163.db2.gz USEHRUZDBLVGCZ-JQWIXIFHSA-N 0 3 239.315 0.835 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1ccc2[nH]cnc2c1 ZINC000865742208 589460272 /nfs/dbraw/zinc/46/02/72/589460272.db2.gz WVQSRIQXHMAMOZ-QPUJVOFHSA-N 0 3 235.287 0.394 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1ccc2nc[nH]c2c1 ZINC000865742208 589460273 /nfs/dbraw/zinc/46/02/73/589460273.db2.gz WVQSRIQXHMAMOZ-QPUJVOFHSA-N 0 3 235.287 0.394 20 0 BCADHN COC/C=C\C(=O)N[C@@H](CN(C)C)C(C)C ZINC000865800404 589462237 /nfs/dbraw/zinc/46/22/37/589462237.db2.gz NEHXJTSDNAHPIJ-ZADCQDASSA-N 0 3 228.336 0.891 20 0 BCADHN Cn1nncc1CN[C@]12CCC[C@H]1OCC2 ZINC000865858305 589465169 /nfs/dbraw/zinc/46/51/69/589465169.db2.gz HCLUWFDSHWKLBV-MNOVXSKESA-N 0 3 222.292 0.616 20 0 BCADHN COC/C=C\C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000865894419 589467656 /nfs/dbraw/zinc/46/76/56/589467656.db2.gz MQJZHKYAJBCXMN-HWPRWLFBSA-N 0 3 240.347 0.989 20 0 BCADHN Nc1nc(N)nc(N2CCC=C(Cl)C2)n1 ZINC000865905325 589467961 /nfs/dbraw/zinc/46/79/61/589467961.db2.gz GATFJNSZSNAHMP-UHFFFAOYSA-N 0 3 226.671 0.369 20 0 BCADHN C[C@@H](CNC(=O)c1nccc(N)n1)N(C)C1CC1 ZINC000865927130 589469043 /nfs/dbraw/zinc/46/90/43/589469043.db2.gz OXBKNACNGSWRBT-QMMMGPOBSA-N 0 3 249.318 0.102 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2nccc(N)n2)CCN1C ZINC000865943103 589469850 /nfs/dbraw/zinc/46/98/50/589469850.db2.gz GQRAFHGZSGAEPU-BDAKNGLRSA-N 0 3 249.318 0.102 20 0 BCADHN Cn1ncnc1N1CCN(C)C(C)(C)CC1 ZINC000866113229 589477373 /nfs/dbraw/zinc/47/73/73/589477373.db2.gz VLLBQDZWROUTDC-UHFFFAOYSA-N 0 3 223.324 0.736 20 0 BCADHN C[C@@H](CCc1cccnc1)N[C@H]1CCNC1=O ZINC000866386878 589489272 /nfs/dbraw/zinc/48/92/72/589489272.db2.gz ILWKTQYFBNWFGL-JQWIXIFHSA-N 0 3 233.315 0.881 20 0 BCADHN COC/C=C\C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000866540379 589499756 /nfs/dbraw/zinc/49/97/56/589499756.db2.gz NAKJPNBOABSKEN-OIFMLDNNSA-N 0 3 238.331 0.788 20 0 BCADHN Cc1nccnc1CN1CCNC[C@H]1C(F)F ZINC000866666335 589509523 /nfs/dbraw/zinc/50/95/23/589509523.db2.gz RKFZOCWHPPPGIY-JTQLQIEISA-N 0 3 242.273 0.824 20 0 BCADHN CCN(C(C)C)S(=O)(=O)CCCN(C)C ZINC000866681551 589511279 /nfs/dbraw/zinc/51/12/79/589511279.db2.gz BBIXLKZDJBSANG-UHFFFAOYSA-N 0 3 236.381 0.998 20 0 BCADHN CC/C=C(/F)C(=O)NCCN(CC)CCO ZINC000867462046 589521041 /nfs/dbraw/zinc/52/10/41/589521041.db2.gz JORDTQCDOWPBRG-BJMVGYQFSA-N 0 3 232.299 0.680 20 0 BCADHN C=C=CCNS(=O)(=O)CCCN1CCCC1 ZINC000867469079 589521650 /nfs/dbraw/zinc/52/16/50/589521650.db2.gz CDQCHFXEJIMXMC-UHFFFAOYSA-N 0 3 244.360 0.733 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC12CCOCC2 ZINC000867992418 589542510 /nfs/dbraw/zinc/54/25/10/589542510.db2.gz DURDVNKFJDUIML-OUAUKWLOSA-N 0 3 238.331 0.657 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H]1c2ccccc2CN1C ZINC000867999153 589542930 /nfs/dbraw/zinc/54/29/30/589542930.db2.gz SXZMZKXOWJOHKX-GWCFXTLKSA-N 0 3 247.342 0.897 20 0 BCADHN CNCC(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000868047753 589546610 /nfs/dbraw/zinc/54/66/10/589546610.db2.gz QHZRALPWACOTOE-VHSXEESVSA-N 0 3 212.293 0.137 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000868048375 589546744 /nfs/dbraw/zinc/54/67/44/589546744.db2.gz VMHZAOMBMUVQHS-NWDGAFQWSA-N 0 3 238.331 0.670 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000868047386 589546899 /nfs/dbraw/zinc/54/68/99/589546899.db2.gz PKTOVWYEGWBGGV-UKKRHICBSA-N 0 3 224.304 0.265 20 0 BCADHN Cc1sccc1NC(=O)C(=O)N[C@@H](C)CN ZINC000868249162 589552532 /nfs/dbraw/zinc/55/25/32/589552532.db2.gz JPUZFWNJVOQCEC-LURJTMIESA-N 0 3 241.316 0.458 20 0 BCADHN Cc1cc(NC(=O)C(=O)N[C@@H](C)CN)cs1 ZINC000868249642 589552755 /nfs/dbraw/zinc/55/27/55/589552755.db2.gz SRIGHQHAZRNXPV-LURJTMIESA-N 0 3 241.316 0.458 20 0 BCADHN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NOCCN(C)C ZINC000868627956 589569079 /nfs/dbraw/zinc/56/90/79/589569079.db2.gz DSWAUNGFIFNCNY-LMLFDSFASA-N 0 3 226.320 0.888 20 0 BCADHN COC/C=C/C(=O)NCC1(N(C)C)CC1 ZINC000868896086 589581575 /nfs/dbraw/zinc/58/15/75/589581575.db2.gz HLMHDBJZCNUGBH-SNAWJCMRSA-N 0 3 212.293 0.399 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(CC)CC ZINC000122482558 589594116 /nfs/dbraw/zinc/59/41/16/589594116.db2.gz PXKDOLSPHRHTRL-ONGXEEELSA-N 0 3 243.351 0.344 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H]2CCC(=O)O2)CCN1 ZINC000869331781 589598922 /nfs/dbraw/zinc/59/89/22/589598922.db2.gz YEBCPGWWEXJOOV-NXEZZACHSA-N 0 3 240.303 0.148 20 0 BCADHN CSCC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869785571 589629488 /nfs/dbraw/zinc/62/94/88/589629488.db2.gz VSIQXLOCMHRJFE-VIFPVBQESA-N 0 3 246.376 0.311 20 0 BCADHN CC(C)(C)C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869783610 589629529 /nfs/dbraw/zinc/62/95/29/589629529.db2.gz KBVOQMNUNWQMCG-JTQLQIEISA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1C[C@@H](NCCS(C)(=O)=O)CN1C1CC1 ZINC000123141977 589666049 /nfs/dbraw/zinc/66/60/49/589666049.db2.gz KYTHBLAWDHVIHM-NXEZZACHSA-N 0 3 246.376 0.246 20 0 BCADHN C[C@H]1C[C@H](NCCS(C)(=O)=O)CN1C1CC1 ZINC000123141723 589666080 /nfs/dbraw/zinc/66/60/80/589666080.db2.gz KYTHBLAWDHVIHM-UWVGGRQHSA-N 0 3 246.376 0.246 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)Cc1cncnc1 ZINC000870547825 589672990 /nfs/dbraw/zinc/67/29/90/589672990.db2.gz KCYRTNQNYOWJNQ-LLVKDONJSA-N 0 3 237.303 0.903 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)[C@H]1CCNC(=O)C1 ZINC000870549862 589674090 /nfs/dbraw/zinc/67/40/90/589674090.db2.gz JAUSIAJUXTXYQS-UWVGGRQHSA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)[C@@H]1CCNC(=O)C1 ZINC000870549861 589674176 /nfs/dbraw/zinc/67/41/76/589674176.db2.gz JAUSIAJUXTXYQS-NXEZZACHSA-N 0 3 242.319 0.396 20 0 BCADHN CCOCC(=O)O[C@H](CC)CN(C)C ZINC000870553004 589674732 /nfs/dbraw/zinc/67/47/32/589674732.db2.gz VXCSMHFJPJUBFC-SECBINFHSA-N 0 3 203.282 0.906 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)C1(C(=O)OC)CC1 ZINC000870553859 589675706 /nfs/dbraw/zinc/67/57/06/589675706.db2.gz UEYCOEMRYZYDLA-VIFPVBQESA-N 0 3 243.303 0.823 20 0 BCADHN CC(C)[C@H](CN(C)C)OC(=O)[C@H]1CCC(=O)O1 ZINC000870564916 589675999 /nfs/dbraw/zinc/67/59/99/589675999.db2.gz NLFOTAZXHRBEGD-ZJUUUORDSA-N 0 3 243.303 0.821 20 0 BCADHN CC(C)(C)N1CC[C@@](F)(C(=O)NC2COC2)C1 ZINC000870870950 589693100 /nfs/dbraw/zinc/69/31/00/589693100.db2.gz DSRVVZJOPSRONQ-LBPRGKRZSA-N 0 3 244.310 0.714 20 0 BCADHN CC[C@@H](N)C(=O)NCc1nn(C)cc1C(F)F ZINC000870979145 589704681 /nfs/dbraw/zinc/70/46/81/589704681.db2.gz GWIXJYFKIYXCEH-SSDOTTSWSA-N 0 3 246.261 0.711 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000870985004 589705709 /nfs/dbraw/zinc/70/57/09/589705709.db2.gz GVGPLLPMVTYRKM-UWVGGRQHSA-N 0 3 228.336 0.589 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000870985116 589705716 /nfs/dbraw/zinc/70/57/16/589705716.db2.gz IPLVZWBHXOCFCJ-ONGXEEELSA-N 0 3 240.347 0.746 20 0 BCADHN CC(C)(N)C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000870985135 589705745 /nfs/dbraw/zinc/70/57/45/589705745.db2.gz IYHVOULKEXBTBB-QMMMGPOBSA-N 0 3 214.309 0.343 20 0 BCADHN CC1(C)C[C@@H](O)CN(C(=O)CNC2CC2)C1 ZINC000870984681 589706281 /nfs/dbraw/zinc/70/62/81/589706281.db2.gz BQJOGZVZDUYDDQ-SNVBAGLBSA-N 0 3 226.320 0.358 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@@H](C)c1ccnn1C ZINC000871011711 589711299 /nfs/dbraw/zinc/71/12/99/589711299.db2.gz XFUSWDHFBJDRQW-VHSXEESVSA-N 0 3 238.335 0.971 20 0 BCADHN CC[C@@H](N)C(=O)N1CCN(C)c2ncccc2C1 ZINC000871021921 589713951 /nfs/dbraw/zinc/71/39/51/589713951.db2.gz ZWEDVWAONSLLLO-LLVKDONJSA-N 0 3 248.330 0.597 20 0 BCADHN CCCN(C)CC(=O)NC1CC(C(=O)OC)C1 ZINC000871548168 589761451 /nfs/dbraw/zinc/76/14/51/589761451.db2.gz USJQAAOFWQGHML-UHFFFAOYSA-N 0 3 242.319 0.396 20 0 BCADHN COCCN(CCOC)C[C@H](O)CC(C)(C)O ZINC000871966174 589848896 /nfs/dbraw/zinc/84/88/96/589848896.db2.gz YHUZCAQWVDHEHH-LLVKDONJSA-N 0 3 249.351 0.103 20 0 BCADHN COC[C@@H]1CCN1C[C@H](O)CC(C)(C)O ZINC000871981041 589852090 /nfs/dbraw/zinc/85/20/90/589852090.db2.gz UOVCRCLZSXYRBY-VHSXEESVSA-N 0 3 217.309 0.229 20 0 BCADHN CCOC(=O)[C@H](C)C1CN(C[C@H](O)C2CC2)C1 ZINC000871994838 589855715 /nfs/dbraw/zinc/85/57/15/589855715.db2.gz YMSNCTKGGYIMFH-SKDRFNHKSA-N 0 3 241.331 0.888 20 0 BCADHN C[C@@H](N[C@@H]1CCOC[C@H]1O)c1cccnc1 ZINC000872141232 589881922 /nfs/dbraw/zinc/88/19/22/589881922.db2.gz RKLPBSPYWYVGQP-YUSALJHKSA-N 0 3 222.288 0.882 20 0 BCADHN CC(C)OC(=O)CCNC[C@@H](O)CC(C)(C)O ZINC000872197916 589889702 /nfs/dbraw/zinc/88/97/02/589889702.db2.gz RBOKFMBUOLQION-JTQLQIEISA-N 0 3 247.335 0.440 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H](O)CC(C)(C)O ZINC000872198256 589889715 /nfs/dbraw/zinc/88/97/15/589889715.db2.gz MMVRNDODJKVESV-JTQLQIEISA-N 0 3 227.308 0.330 20 0 BCADHN Cc1cc(CNC[C@@H](O)CC(C)(C)O)n[nH]1 ZINC000872202166 589891005 /nfs/dbraw/zinc/89/10/05/589891005.db2.gz XJMFXTALMAEKTQ-JTQLQIEISA-N 0 3 227.308 0.330 20 0 BCADHN Cc1cc(CNC[C@@H](O)CC(C)(C)O)[nH]n1 ZINC000872202166 589891006 /nfs/dbraw/zinc/89/10/06/589891006.db2.gz XJMFXTALMAEKTQ-JTQLQIEISA-N 0 3 227.308 0.330 20 0 BCADHN CON(C)C(=O)CCN[C@H](C)c1ccnn1C ZINC000872237798 589898856 /nfs/dbraw/zinc/89/88/56/589898856.db2.gz ATRSRHLOHYQENK-SECBINFHSA-N 0 3 240.307 0.481 20 0 BCADHN CCc1nn(C)cc1CNC[C@H]1COCCO1 ZINC000124001389 589901525 /nfs/dbraw/zinc/90/15/25/589901525.db2.gz CBQFGMQFSIOPKV-NSHDSACASA-N 0 3 239.319 0.488 20 0 BCADHN c1cnc(CN2C[C@@H]3COC[C@@H]3C2)cn1 ZINC000872265616 589902182 /nfs/dbraw/zinc/90/21/82/589902182.db2.gz KQGYBAIGPVSOJJ-AOOOYVTPSA-N 0 3 205.261 0.555 20 0 BCADHN O=C1CC2(CCOCC2)N(CCF)CCN1 ZINC000872283504 589905994 /nfs/dbraw/zinc/90/59/94/589905994.db2.gz FVVBWHZRNSFKEV-UHFFFAOYSA-N 0 3 230.283 0.327 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872308557 589908598 /nfs/dbraw/zinc/90/85/98/589908598.db2.gz DQXQHVOQFYZGGQ-BREBYQMCSA-N 0 3 238.331 0.812 20 0 BCADHN O=C(N[C@]12CCC[C@H]1OCC2)[C@]1(F)CCNC1 ZINC000872307857 589909023 /nfs/dbraw/zinc/90/90/23/589909023.db2.gz LXSOKJDSIKPKJH-USWWRNFRSA-N 0 3 242.294 0.516 20 0 BCADHN CCN(C)C(=O)CN[C@]12CCC[C@H]1OCC2 ZINC000872312276 589909301 /nfs/dbraw/zinc/90/93/01/589909301.db2.gz QAMLXOXWPOYIQY-PWSUYJOCSA-N 0 3 226.320 0.766 20 0 BCADHN O=c1[n-]nc(Cl)cc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000872418643 589937298 /nfs/dbraw/zinc/93/72/98/589937298.db2.gz YAPMAWZQHDFMPI-RNFRBKRXSA-N 0 3 240.694 0.491 20 0 BCADHN COCCN(CCO)CCC(=O)C(C)(C)C ZINC000124085467 589939908 /nfs/dbraw/zinc/93/99/08/589939908.db2.gz IOIQEGBKCBIKMS-UHFFFAOYSA-N 0 3 231.336 0.932 20 0 BCADHN CN(C)C[C@H](CO)Nc1cc(Cl)n[nH]c1=O ZINC000872548648 589949210 /nfs/dbraw/zinc/94/92/10/589949210.db2.gz YBPCJTRNUTXOHE-ZCFIWIBFSA-N 0 3 246.698 0.170 20 0 BCADHN CCN(C)C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC000872616656 589956868 /nfs/dbraw/zinc/95/68/68/589956868.db2.gz GYHSAABIZBORIO-WDEREUQCSA-N 0 3 241.335 0.199 20 0 BCADHN C[S@](=O)CCNCc1cnn2ccccc12 ZINC000124163257 589957597 /nfs/dbraw/zinc/95/75/97/589957597.db2.gz NZGRSRNVDPNDEB-MRXNPFEDSA-N 0 3 237.328 0.802 20 0 BCADHN Cc1ccc(O)c(CNCC[S@](C)=O)n1 ZINC000124162485 589957621 /nfs/dbraw/zinc/95/76/21/589957621.db2.gz MRGMYIMJOOSLSQ-OAHLLOKOSA-N 0 3 228.317 0.564 20 0 BCADHN COc1ccc(CNCC[S@](C)=O)cc1O ZINC000124187279 589959296 /nfs/dbraw/zinc/95/92/96/589959296.db2.gz LBMXQOVFSYKXTQ-MRXNPFEDSA-N 0 3 243.328 0.869 20 0 BCADHN OCc1cc(NC[C@H]2C[C@H](O)C2)ccn1 ZINC000872718961 589965192 /nfs/dbraw/zinc/96/51/92/589965192.db2.gz PJTBBHXIXXMMKT-JLIMDTESSA-N 0 3 208.261 0.757 20 0 BCADHN CN(CCC1OCCO1)[C@H]1CCOC1 ZINC000124233520 589965386 /nfs/dbraw/zinc/96/53/86/589965386.db2.gz OGUIWLMTSXTVAB-VIFPVBQESA-N 0 3 201.266 0.470 20 0 BCADHN Cn1ncnc1N1CC[C@H]2[C@H]1CCCN2C ZINC000872778335 589968862 /nfs/dbraw/zinc/96/88/62/589968862.db2.gz GUUXCGWDHRVCDC-VHSXEESVSA-N 0 3 221.308 0.488 20 0 BCADHN Cn1cnc(N2CC[C@H]3[C@H]2CCCN3C)cc1=O ZINC000872778568 589969456 /nfs/dbraw/zinc/96/94/56/589969456.db2.gz JKNNPVOPNWVUTA-WDEREUQCSA-N 0 3 248.330 0.453 20 0 BCADHN CC1(C)CCN(CN2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000872786305 589970290 /nfs/dbraw/zinc/97/02/90/589970290.db2.gz YFEXMLOLWDZYFH-PHIMTYICSA-N 0 3 238.331 0.781 20 0 BCADHN C[C@H]1CN(CN2C[C@@H]3COC[C@@H]3C2)C(=O)[C@@H]1C ZINC000872786347 589970938 /nfs/dbraw/zinc/97/09/38/589970938.db2.gz ZPOYJJLWZCISJL-WHOHXGKFSA-N 0 3 238.331 0.637 20 0 BCADHN CCc1cc(CN[C@@H]2CCNC(=O)CC2)[nH]n1 ZINC000873050423 589981178 /nfs/dbraw/zinc/98/11/78/589981178.db2.gz WCOIMSBJSSLBGZ-JTQLQIEISA-N 0 3 236.319 0.730 20 0 BCADHN C[C@H](N)c1cn(CC(=O)N2CCCCC2)nn1 ZINC000124385217 589983464 /nfs/dbraw/zinc/98/34/64/589983464.db2.gz GZEMKBYRLOXWOF-VIFPVBQESA-N 0 3 237.307 0.310 20 0 BCADHN O=C1CC[C@H](NCc2cccc(F)n2)CCN1 ZINC000873092494 589984227 /nfs/dbraw/zinc/98/42/27/589984227.db2.gz GHKOGXZNVOQREG-VIFPVBQESA-N 0 3 237.278 0.979 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1ccc2nccnc2c1 ZINC000873149499 589986884 /nfs/dbraw/zinc/98/68/84/589986884.db2.gz PMPMVGGBTRCSTQ-RNCFNFMXSA-N 0 3 247.298 0.461 20 0 BCADHN CCC[C@](C)(CO)NCc1cnc(N)cn1 ZINC000873207293 589994447 /nfs/dbraw/zinc/99/44/47/589994447.db2.gz UUQNZXJWRNAEQS-LLVKDONJSA-N 0 3 224.308 0.700 20 0 BCADHN Nc1cnc(CN2CC[C@H]([C@@H]3CCOC3)C2)cn1 ZINC000873209225 589994834 /nfs/dbraw/zinc/99/48/34/589994834.db2.gz KBIMRGVQVZEORP-WDEREUQCSA-N 0 3 248.330 0.917 20 0 BCADHN Nc1cnc(CN2CCNC[C@@H]2C(F)F)cn1 ZINC000873210520 589995149 /nfs/dbraw/zinc/99/51/49/589995149.db2.gz IZBCRUPVLTYFAJ-MRVPVSSYSA-N 0 3 243.261 0.098 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1Cc1cnc(N)cn1 ZINC000873209849 589995562 /nfs/dbraw/zinc/99/55/62/589995562.db2.gz UGSUFDGSRRDAMX-LBPRGKRZSA-N 0 3 249.362 0.831 20 0 BCADHN C[C@@H](NCc1cnc(N)cn1)C1CCOCC1 ZINC000873212491 589996349 /nfs/dbraw/zinc/99/63/49/589996349.db2.gz MEWLMVMTJMVNTQ-SECBINFHSA-N 0 3 236.319 0.964 20 0 BCADHN O=C(CN1CCCC1)N1CCC(O)CC1 ZINC000873980320 590082365 /nfs/dbraw/zinc/08/23/65/590082365.db2.gz ZECQSEZYGBDRRQ-UHFFFAOYSA-N 0 3 212.293 0.066 20 0 BCADHN COC(OC)C(=O)NCCN1CCCC[C@@H]1C ZINC000874041048 590086129 /nfs/dbraw/zinc/08/61/29/590086129.db2.gz LHUSGQNFHGESMO-JTQLQIEISA-N 0 3 244.335 0.596 20 0 BCADHN Cc1cc(NCc2ccn(C)n2)nc(N)n1 ZINC000124874499 590095118 /nfs/dbraw/zinc/09/51/18/590095118.db2.gz RVJRWKYYNJCATN-UHFFFAOYSA-N 0 3 218.264 0.713 20 0 BCADHN C[N@@H+]1CC[C@H](CC(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000874261925 590100633 /nfs/dbraw/zinc/10/06/33/590100633.db2.gz CNYNEMXKNTXGSK-PWSUYJOCSA-N 0 3 242.319 0.903 20 0 BCADHN C[N@H+]1CC[C@H](CC(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000874261925 590100634 /nfs/dbraw/zinc/10/06/34/590100634.db2.gz CNYNEMXKNTXGSK-PWSUYJOCSA-N 0 3 242.319 0.903 20 0 BCADHN Cn1ccsc1=NC(=O)C[C@@H]1CCN(C)C1 ZINC000874263048 590100710 /nfs/dbraw/zinc/10/07/10/590100710.db2.gz QWWPGPTXNBMALG-VIFPVBQESA-N 0 3 239.344 0.856 20 0 BCADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC000124928571 590103081 /nfs/dbraw/zinc/10/30/81/590103081.db2.gz ALZDXEWQHDUDFQ-RKDXNWHRSA-N 0 3 230.308 0.394 20 0 BCADHN CN1CC[C@H](CC(=O)NCCC[S@](C)=O)C1 ZINC000874451888 590112107 /nfs/dbraw/zinc/11/21/07/590112107.db2.gz FKWXCUKLWHYMKN-HWPZZCPQSA-N 0 3 246.376 0.213 20 0 BCADHN COCCCN1CCC(NC(=O)NOC)CC1 ZINC000125073653 590116850 /nfs/dbraw/zinc/11/68/50/590116850.db2.gz COLXXXMGUHYJAW-UHFFFAOYSA-N 0 3 245.323 0.348 20 0 BCADHN C[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874830165 590138505 /nfs/dbraw/zinc/13/85/05/590138505.db2.gz QIKAWTMWRJZTET-UTLUCORTSA-N 0 3 212.293 0.062 20 0 BCADHN C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCCN2C)N(C)C ZINC000874822164 590141293 /nfs/dbraw/zinc/14/12/93/590141293.db2.gz GKIBRNVPZUCDEM-SRVKXCTJSA-N 0 3 239.363 0.632 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H](O)C1CC1 ZINC000874828889 590141904 /nfs/dbraw/zinc/14/19/04/590141904.db2.gz JRYZTXNPWUNNBL-IJLUTSLNSA-N 0 3 238.331 0.452 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](O)C1CC1 ZINC000874828893 590142235 /nfs/dbraw/zinc/14/22/35/590142235.db2.gz JRYZTXNPWUNNBL-TUAOUCFPSA-N 0 3 238.331 0.452 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccnnc1 ZINC000874833843 590143718 /nfs/dbraw/zinc/14/37/18/590143718.db2.gz AWLLPYUIQDSSLI-NEPJUHHUSA-N 0 3 246.314 0.785 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCCO1 ZINC000874831847 590143817 /nfs/dbraw/zinc/14/38/17/590143817.db2.gz BUXUBELSMPYHKX-QJPTWQEYSA-N 0 3 238.331 0.861 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ncc[nH]1 ZINC000874831273 590144325 /nfs/dbraw/zinc/14/43/25/590144325.db2.gz YYWSYVCXUOHKFB-GHMZBOCLSA-N 0 3 248.330 0.647 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc[nH]n1 ZINC000874843776 590144490 /nfs/dbraw/zinc/14/44/90/590144490.db2.gz RGPNQIVGWUEHTG-QWRGUYRKSA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccn[nH]1 ZINC000874843776 590144493 /nfs/dbraw/zinc/14/44/93/590144493.db2.gz RGPNQIVGWUEHTG-QWRGUYRKSA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccon1 ZINC000874843876 590145263 /nfs/dbraw/zinc/14/52/63/590145263.db2.gz PNKKZGAEVLLSIO-MNOVXSKESA-N 0 3 235.287 0.983 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000874876933 590152418 /nfs/dbraw/zinc/15/24/18/590152418.db2.gz NUHYHIYHHHNNGW-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)(O)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000874875472 590152664 /nfs/dbraw/zinc/15/26/64/590152664.db2.gz BHVPZEANRWRLFM-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN CC[S@@](=O)CCNCc1cccn1C ZINC000125248467 590159778 /nfs/dbraw/zinc/15/97/78/590159778.db2.gz ALOQEHDDHYRDTO-AWEZNQCLSA-N 0 3 214.334 0.883 20 0 BCADHN COC[C@@H](NC(=O)[C@@]1(F)CCNC1)C1CC1 ZINC000125394171 590163153 /nfs/dbraw/zinc/16/31/53/590163153.db2.gz ZBBFZBRVBCMUMM-MWLCHTKSSA-N 0 3 230.283 0.229 20 0 BCADHN CC1=NO[C@@H](CNC(=O)NCCN(C)C)C1 ZINC000875969539 590180422 /nfs/dbraw/zinc/18/04/22/590180422.db2.gz UFHCRHUEDRFYEV-SECBINFHSA-N 0 3 228.296 0.012 20 0 BCADHN CN1CC=C(CNC(=O)Nc2ncccn2)CC1 ZINC000888691057 590182378 /nfs/dbraw/zinc/18/23/78/590182378.db2.gz WMBJXFGPFBQRDA-UHFFFAOYSA-N 0 3 247.302 0.860 20 0 BCADHN NCc1cccc(NC(=O)[C@@H]2COC(=O)N2)c1 ZINC000876503147 590203859 /nfs/dbraw/zinc/20/38/59/590203859.db2.gz ALNJKAXNECMSDR-VIFPVBQESA-N 0 3 235.243 0.192 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1n[nH]c2ccccc21 ZINC000876550490 590214712 /nfs/dbraw/zinc/21/47/12/590214712.db2.gz DXYSNMDNNNPIPW-VIFPVBQESA-N 0 3 247.302 0.390 20 0 BCADHN Cc1nn(C)cc1CN[C@H]1CCN(C)C1 ZINC000126024797 590215466 /nfs/dbraw/zinc/21/54/66/590215466.db2.gz RBOWQVZMDNMXOM-NSHDSACASA-N 0 3 208.309 0.522 20 0 BCADHN C[C@@H](C[S@](C)=O)N(C)CCC1OCCO1 ZINC000126027746 590215860 /nfs/dbraw/zinc/21/58/60/590215860.db2.gz RHPNTPLUXPFOPH-BJOHPYRUSA-N 0 3 235.349 0.448 20 0 BCADHN CN(Cc1cccc(S(N)(=O)=O)c1)C1CC1 ZINC000876581082 590218679 /nfs/dbraw/zinc/21/86/79/590218679.db2.gz YYFQHUZMHOJMPX-UHFFFAOYSA-N 0 3 240.328 0.928 20 0 BCADHN C[C@H](C1CC1)N(C(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000876597997 590220186 /nfs/dbraw/zinc/22/01/86/590220186.db2.gz SKTYFRMBDQCHRC-SKDRFNHKSA-N 0 3 239.363 0.665 20 0 BCADHN CO[C@@](C)(CN1CCCNC(=O)C1)C1CC1 ZINC000876639828 590225142 /nfs/dbraw/zinc/22/51/42/590225142.db2.gz KDUIAVJJQLBAPA-LBPRGKRZSA-N 0 3 226.320 0.623 20 0 BCADHN CCN[C@H](C)C(=O)NCC(=O)OCC1CC1 ZINC000876641873 590225782 /nfs/dbraw/zinc/22/57/82/590225782.db2.gz PBNISDVAXAILDP-MRVPVSSYSA-N 0 3 228.292 0.054 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@H](C)NCC ZINC000876650003 590226069 /nfs/dbraw/zinc/22/60/69/590226069.db2.gz LJICHVRBKAMSME-VIFPVBQESA-N 0 3 230.308 0.444 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@@H](C)NCC ZINC000876650002 590226195 /nfs/dbraw/zinc/22/61/95/590226195.db2.gz LJICHVRBKAMSME-SECBINFHSA-N 0 3 230.308 0.444 20 0 BCADHN CC[C@]1(C)CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876666653 590227712 /nfs/dbraw/zinc/22/77/12/590227712.db2.gz VUZLGAZDZJLTQS-WCQYABFASA-N 0 3 241.379 0.914 20 0 BCADHN C[C@@H]1CC(NC(=O)[C@@H](N)CN(C)C)C[C@@H](C)C1 ZINC000876669011 590228299 /nfs/dbraw/zinc/22/82/99/590228299.db2.gz YJPAPUBUYKNORH-NHCYSSNCSA-N 0 3 241.379 0.816 20 0 BCADHN C[C@@H]1CCC[C@H](C)N(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876670568 590228809 /nfs/dbraw/zinc/22/88/09/590228809.db2.gz MHFFSBXFJRSKGH-WOPDTQHZSA-N 0 3 241.379 0.912 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccc2nccn2c1 ZINC000876766114 590239932 /nfs/dbraw/zinc/23/99/32/590239932.db2.gz BTUHVEIZYIURHL-JTQLQIEISA-N 0 3 247.302 0.162 20 0 BCADHN C[C@H](C(=O)N[C@@H]1CNCCC1(F)F)N(C)C ZINC000876865774 590251674 /nfs/dbraw/zinc/25/16/74/590251674.db2.gz GZNAGUJEHHCYSO-HTQZYQBOSA-N 0 3 235.278 0.050 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H](N)CN(C)C)CC[C@@H]1C ZINC000876884106 590253635 /nfs/dbraw/zinc/25/36/35/590253635.db2.gz INDXBEMKIBKTSJ-DCAQKATOSA-N 0 3 227.352 0.380 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1ccc2nncn2c1 ZINC000876885065 590253817 /nfs/dbraw/zinc/25/38/17/590253817.db2.gz UBKJKIPYMSIUGB-QMMMGPOBSA-N 0 3 233.275 0.666 20 0 BCADHN OCCOCCNC[C@@H]1CC1(Cl)Cl ZINC000876888280 590254220 /nfs/dbraw/zinc/25/42/20/590254220.db2.gz CGAJAIWRAJSXPU-ZETCQYMHSA-N 0 3 228.119 0.779 20 0 BCADHN CC[C@H]1CC[C@H](C)N1C(=O)[C@@H](N)CN(C)C ZINC000876901651 590255400 /nfs/dbraw/zinc/25/54/00/590255400.db2.gz GHLGAGPLJVBDGC-DCAQKATOSA-N 0 3 227.352 0.665 20 0 BCADHN C[C@H]1CCN(C(=O)[C@@H](N)CN(C)C)CC1(C)C ZINC000876907496 590256076 /nfs/dbraw/zinc/25/60/76/590256076.db2.gz FCXFNIDAUYEEIL-QWRGUYRKSA-N 0 3 241.379 0.770 20 0 BCADHN CC(=O)NCCCNCc1ccc(Cl)nn1 ZINC000876913674 590256538 /nfs/dbraw/zinc/25/65/38/590256538.db2.gz STQTYGMGLJJOOF-UHFFFAOYSA-N 0 3 242.710 0.746 20 0 BCADHN CC/C=C(/F)C(=O)NC[C@@H]1CNCCO1 ZINC000876917816 590256674 /nfs/dbraw/zinc/25/66/74/590256674.db2.gz WVRSARLAZCQMOF-FVKOELHVSA-N 0 3 216.256 0.354 20 0 BCADHN CCC[C@@H](CC)C(=O)NC[C@@H]1CNCCO1 ZINC000876916775 590256968 /nfs/dbraw/zinc/25/69/68/590256968.db2.gz GFCZFFKZGIEPDH-MNOVXSKESA-N 0 3 228.336 0.917 20 0 BCADHN O=C1C[C@@H](NC[C@H](O)c2ccco2)CCCN1 ZINC000876917040 590257074 /nfs/dbraw/zinc/25/70/74/590257074.db2.gz MHLONROYIFHGPO-UWVGGRQHSA-N 0 3 238.287 0.571 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000876930842 590258170 /nfs/dbraw/zinc/25/81/70/590258170.db2.gz DODYVRGNLXAQPH-SRVKXCTJSA-N 0 3 239.363 0.428 20 0 BCADHN CCN[C@@H](C)C(=O)N1CC[C@@](F)(C(=O)OC)C1 ZINC000876956484 590259732 /nfs/dbraw/zinc/25/97/32/590259732.db2.gz LJWLRKGVUQJOTI-KWQFWETISA-N 0 3 246.282 0.098 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CC=C(C(=O)OC)C1 ZINC000876999279 590267278 /nfs/dbraw/zinc/26/72/78/590267278.db2.gz CUVYRKRIRLYLPH-IUCAKERBSA-N 0 3 226.276 0.102 20 0 BCADHN CC(C)[C@@H]1CNCCN1C(=O)[C@@H](C)NC1CC1 ZINC000876998722 590267684 /nfs/dbraw/zinc/26/76/84/590267684.db2.gz QGYVVQRLSYWTCX-PWSUYJOCSA-N 0 3 239.363 0.583 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1CC=C(C(=O)OC)C1 ZINC000877002410 590268002 /nfs/dbraw/zinc/26/80/02/590268002.db2.gz ULJMQGGIOJVHGL-PSASIEDQSA-N 0 3 240.303 0.362 20 0 BCADHN CCNCC(=O)NC[C@H]1CCCN1CC(F)F ZINC000877006132 590268458 /nfs/dbraw/zinc/26/84/58/590268458.db2.gz RPTNMWJSCPTUQP-SECBINFHSA-N 0 3 249.305 0.442 20 0 BCADHN CCNCC(=O)N[C@H]1CC=C(C(=O)OCC)C1 ZINC000877028715 590271617 /nfs/dbraw/zinc/27/16/17/590271617.db2.gz ZCFZFXYBBMKBHX-JTQLQIEISA-N 0 3 240.303 0.364 20 0 BCADHN Cc1ncccc1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000877033159 590271936 /nfs/dbraw/zinc/27/19/36/590271936.db2.gz YBZFHYICLFISLH-SNVBAGLBSA-N 0 3 248.286 0.110 20 0 BCADHN CCc1cc(CNC[C@]2(OC)CCOC2)n[nH]1 ZINC000877033883 590272062 /nfs/dbraw/zinc/27/20/62/590272062.db2.gz QOQIDDUFXJOFHC-GFCCVEGCSA-N 0 3 239.319 0.867 20 0 BCADHN CCc1cc(CNC[C@]2(OC)CCOC2)[nH]n1 ZINC000877033883 590272064 /nfs/dbraw/zinc/27/20/64/590272064.db2.gz QOQIDDUFXJOFHC-GFCCVEGCSA-N 0 3 239.319 0.867 20 0 BCADHN CCc1cc(CNC[C@@]2(OC)CCOC2)n[nH]1 ZINC000877033884 590272256 /nfs/dbraw/zinc/27/22/56/590272256.db2.gz QOQIDDUFXJOFHC-LBPRGKRZSA-N 0 3 239.319 0.867 20 0 BCADHN CCc1cc(CNC[C@@]2(OC)CCOC2)[nH]n1 ZINC000877033884 590272258 /nfs/dbraw/zinc/27/22/58/590272258.db2.gz QOQIDDUFXJOFHC-LBPRGKRZSA-N 0 3 239.319 0.867 20 0 BCADHN C[C@@H]1CC[C@H](NC(=O)c2ccc(N)cc2[O-])C[NH2+]1 ZINC000877053019 590275297 /nfs/dbraw/zinc/27/52/97/590275297.db2.gz ZZUODRNDGRJDJZ-SCZZXKLOSA-N 0 3 249.314 0.845 20 0 BCADHN COC(=O)N1CC(N[C@H]2CS[C@@H](C)C2)C1 ZINC000877098664 590282480 /nfs/dbraw/zinc/28/24/80/590282480.db2.gz UVSXQLWBKJGUMV-JGVFFNPUSA-N 0 3 230.333 0.921 20 0 BCADHN C[C@H]([NH3+])CN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000877107422 590285685 /nfs/dbraw/zinc/28/56/85/590285685.db2.gz FHADRONIJHSSFN-LURJTMIESA-N 0 3 227.239 0.346 20 0 BCADHN Cn1ncc(CN)c1C(=O)NCC(C)(C)F ZINC000877124167 590289279 /nfs/dbraw/zinc/28/92/79/590289279.db2.gz KLHQKJCVUOXMJJ-UHFFFAOYSA-N 0 3 228.271 0.357 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCC(C)(C)F ZINC000877123936 590289441 /nfs/dbraw/zinc/28/94/41/590289441.db2.gz GGXCPLHTVRIMAP-ZETCQYMHSA-N 0 3 202.273 0.991 20 0 BCADHN COC[C@@H](O)CCNCc1ccc(Cl)nn1 ZINC000877124816 590289475 /nfs/dbraw/zinc/28/94/75/590289475.db2.gz DWQJMBFRDGFCTO-VIFPVBQESA-N 0 3 245.710 0.617 20 0 BCADHN CC[C@H](N)C(=O)Nc1cncc(OC)c1 ZINC000877131738 590290452 /nfs/dbraw/zinc/29/04/52/590290452.db2.gz JJCYDTRFRYPAFP-VIFPVBQESA-N 0 3 209.249 0.766 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cncc(OC)c1 ZINC000877131737 590290764 /nfs/dbraw/zinc/29/07/64/590290764.db2.gz JJCYDTRFRYPAFP-SECBINFHSA-N 0 3 209.249 0.766 20 0 BCADHN C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(N)cc1[O-] ZINC000877171162 590295896 /nfs/dbraw/zinc/29/58/96/590295896.db2.gz AINGAEHBYBEDKG-CBAPKCEASA-N 0 3 235.287 0.536 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877175616 590296840 /nfs/dbraw/zinc/29/68/40/590296840.db2.gz AWIJZJIMLIMZPE-UDLFHZNPSA-N 0 3 224.304 0.263 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1F ZINC000877179047 590297532 /nfs/dbraw/zinc/29/75/32/590297532.db2.gz IKCINJFEODPBFD-JLIMGVALSA-N 0 3 230.283 0.500 20 0 BCADHN CCNCC(=O)Nc1cc(C(N)=O)sc1C ZINC000877200142 590299995 /nfs/dbraw/zinc/29/99/95/590299995.db2.gz GLMOADZYRRBOPH-UHFFFAOYSA-N 0 3 241.316 0.703 20 0 BCADHN Cc1cc(N)cc(NC(=O)[C@@H](N)CN(C)C)c1 ZINC000877198514 590300003 /nfs/dbraw/zinc/30/00/03/590300003.db2.gz HFHTUTRORVLSDN-NSHDSACASA-N 0 3 236.319 0.405 20 0 BCADHN CC(C)NCC(=O)NCc1ccnc(F)c1 ZINC000877201960 590300786 /nfs/dbraw/zinc/30/07/86/590300786.db2.gz UMQVGACQCZPKES-UHFFFAOYSA-N 0 3 225.267 0.835 20 0 BCADHN CCC[C@]1(C)C(=O)NCCN1C(=O)CNCC ZINC000877224341 590301446 /nfs/dbraw/zinc/30/14/46/590301446.db2.gz HVZQWEKKHYZMGB-GFCCVEGCSA-N 0 3 241.335 0.113 20 0 BCADHN C[C@H](C(=O)N1CCNCCC1(C)C)N(C)C ZINC000877233086 590301932 /nfs/dbraw/zinc/30/19/32/590301932.db2.gz LBQRLWFCKAUIGU-SNVBAGLBSA-N 0 3 227.352 0.537 20 0 BCADHN CN1Cc2ccccc2[C@H]1CNC(=O)CN ZINC000877247711 590303893 /nfs/dbraw/zinc/30/38/93/590303893.db2.gz VQDJSBDTOUNJOT-LLVKDONJSA-N 0 3 219.288 0.248 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@H](C(F)F)C1 ZINC000877300780 590308088 /nfs/dbraw/zinc/30/80/88/590308088.db2.gz KLNMHTKBNDYEJD-BQBZGAKWSA-N 0 3 222.235 0.216 20 0 BCADHN CC(C)(N)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877299172 590308494 /nfs/dbraw/zinc/30/84/94/590308494.db2.gz HZUPIUBYCAVSKT-ZCFIWIBFSA-N 0 3 222.235 0.216 20 0 BCADHN CC[C@@H](NC)C(=O)N1CCC(C(C)=O)CC1 ZINC000877298553 590308667 /nfs/dbraw/zinc/30/86/67/590308667.db2.gz BLSPHQOACXMWEK-LLVKDONJSA-N 0 3 226.320 0.812 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCO[C@H](C(F)F)C1 ZINC000877300585 590309058 /nfs/dbraw/zinc/30/90/58/590309058.db2.gz XWSKVBKODLSFFB-JGVFFNPUSA-N 0 3 236.262 0.462 20 0 BCADHN CCN[C@@H](C)C(=O)NCCC[C@H]1CCOC1=O ZINC000877311419 590313019 /nfs/dbraw/zinc/31/30/19/590313019.db2.gz IJVKHSLCJFXHEE-UWVGGRQHSA-N 0 3 242.319 0.444 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cc(N)cc(F)c1 ZINC000877324320 590316965 /nfs/dbraw/zinc/31/69/65/590316965.db2.gz OQJICJRHBDGZFU-SNVBAGLBSA-N 0 3 225.267 0.761 20 0 BCADHN C[C@@H](N)C(=O)NCc1cc(N)cc(F)c1 ZINC000877324994 590317109 /nfs/dbraw/zinc/31/71/09/590317109.db2.gz AGOHIQBCZOVULN-ZCFIWIBFSA-N 0 3 211.240 0.371 20 0 BCADHN CC[C@H](C)[C@H](CN[C@@]1(CO)CCOC1)OC ZINC000877336149 590318116 /nfs/dbraw/zinc/31/81/16/590318116.db2.gz OYZBPKIYPJKHCH-SDDRHHMPSA-N 0 3 231.336 0.789 20 0 BCADHN CNCC(=O)N1CC[C@@H](c2nc(C)cs2)C1 ZINC000877352568 590318850 /nfs/dbraw/zinc/31/88/50/590318850.db2.gz YUNSTLFMWNEGGZ-SECBINFHSA-N 0 3 239.344 0.987 20 0 BCADHN CNC(=O)C1(NCc2ccc(=O)[nH]c2)CCCC1 ZINC000877423802 590325470 /nfs/dbraw/zinc/32/54/70/590325470.db2.gz ALIRQOIMMVYPLE-UHFFFAOYSA-N 0 3 249.314 0.936 20 0 BCADHN Cc1nccnc1[C@@H](C)NC(=O)[C@H](N)C(C)C ZINC000877432918 590327445 /nfs/dbraw/zinc/32/74/45/590327445.db2.gz ZFJSAOIUACKIMO-NXEZZACHSA-N 0 3 236.319 0.946 20 0 BCADHN COCC1(N(C)C(=O)[C@]2(F)CCNC2)CCC1 ZINC000877454218 590329569 /nfs/dbraw/zinc/32/95/69/590329569.db2.gz UVLMRDMDCAXQNV-LBPRGKRZSA-N 0 3 244.310 0.716 20 0 BCADHN Nc1c(Cl)cccc1CNC[C@H](O)CO ZINC000877462519 590332650 /nfs/dbraw/zinc/33/26/50/590332650.db2.gz SEGWNGVHYDRCCU-QMMMGPOBSA-N 0 3 230.695 0.365 20 0 BCADHN Cc1ccc(CN(C)CC2CC(O)C2)nn1 ZINC000877464368 590332747 /nfs/dbraw/zinc/33/27/47/590332747.db2.gz LEZDUPMCXYYGIC-UHFFFAOYSA-N 0 3 221.304 0.988 20 0 BCADHN C[C@H]1C[C@@H](O)CN1Cc1cnc2c(cnn2C)c1 ZINC000877467802 590333288 /nfs/dbraw/zinc/33/32/88/590333288.db2.gz PGLNCAFCAZODJD-JOYOIKCWSA-N 0 3 246.314 0.923 20 0 BCADHN COC[C@H](O)CN1CCC(C2OCCO2)CC1 ZINC000126534624 590333862 /nfs/dbraw/zinc/33/38/62/590333862.db2.gz IZOULEAOPVOGOK-LLVKDONJSA-N 0 3 245.319 0.079 20 0 BCADHN C[C@@H](CO)N(C)Cc1cnc2c(cnn2C)c1 ZINC000877525789 590347784 /nfs/dbraw/zinc/34/77/84/590347784.db2.gz BEYNEPQGWDDGSK-VIFPVBQESA-N 0 3 234.303 0.781 20 0 BCADHN CO[C@H](C)CN1CC[C@@H](Nc2ncccn2)C1 ZINC000877603965 590371746 /nfs/dbraw/zinc/37/17/46/590371746.db2.gz VGQAXIMWLSDUOQ-GHMZBOCLSA-N 0 3 236.319 0.998 20 0 BCADHN CO[C@@H](C)CN1CC[C@@H](Nc2ncccn2)C1 ZINC000877603974 590371810 /nfs/dbraw/zinc/37/18/10/590371810.db2.gz VGQAXIMWLSDUOQ-WDEREUQCSA-N 0 3 236.319 0.998 20 0 BCADHN C[C@@H](O)C1(NCc2cnc3c(cnn3C)c2)CC1 ZINC000877637794 590381854 /nfs/dbraw/zinc/38/18/54/590381854.db2.gz MMCYVTKOERXQQQ-SECBINFHSA-N 0 3 246.314 0.971 20 0 BCADHN CO[C@@](C)(CN1CCCN(C=O)CC1)C1CC1 ZINC000877642635 590383552 /nfs/dbraw/zinc/38/35/52/590383552.db2.gz OZSUCNIBLDPYQS-ZDUSSCGKSA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@H](CN[C@H](C)C(=O)N(C)OC)C1CC1 ZINC000877661292 590386807 /nfs/dbraw/zinc/38/68/07/590386807.db2.gz YPWKXDRHTADQSG-PSASIEDQSA-N 0 3 230.308 0.409 20 0 BCADHN COCC1(CN[C@H](C)C(=O)N(C)OC)CCC1 ZINC000877660216 590386851 /nfs/dbraw/zinc/38/68/51/590386851.db2.gz JWCDWASZIFALAL-SNVBAGLBSA-N 0 3 244.335 0.801 20 0 BCADHN COC(=O)C1=NO[C@@]2(CCN(CC3CC3)C2)C1 ZINC000877714646 590398374 /nfs/dbraw/zinc/39/83/74/590398374.db2.gz PHXCLAYZGDJJCL-LBPRGKRZSA-N 0 3 238.287 0.790 20 0 BCADHN Cc1occc1CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719404 590400487 /nfs/dbraw/zinc/40/04/87/590400487.db2.gz AKFKCNWDDBRSLV-PHIMTYICSA-N 0 3 248.282 0.635 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1CNCC1(F)CC1 ZINC000877725433 590403017 /nfs/dbraw/zinc/40/30/17/590403017.db2.gz BEHOVHOVUPLEQL-RKDXNWHRSA-N 0 3 231.267 0.656 20 0 BCADHN Cc1sccc1CN1CC[C@@H](O)[C@@H](O)C1 ZINC000877750677 590414077 /nfs/dbraw/zinc/41/40/77/590414077.db2.gz UZTZXIDCDHIPTI-MNOVXSKESA-N 0 3 227.329 0.984 20 0 BCADHN Cc1ccc(CCN2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000877750292 590414104 /nfs/dbraw/zinc/41/41/04/590414104.db2.gz NGMJVYBSIYQWIX-KGLIPLIRSA-N 0 3 235.327 0.965 20 0 BCADHN CC[C@H](C)[C@H](CN1CC[C@@H](O)[C@@H](O)C1)OC ZINC000877750671 590414359 /nfs/dbraw/zinc/41/43/59/590414359.db2.gz UVGURKUZEKSPMD-USZNOCQGSA-N 0 3 231.336 0.475 20 0 BCADHN Cc1ccsc1CN1CC[C@@H](O)[C@@H](O)C1 ZINC000877749639 590414933 /nfs/dbraw/zinc/41/49/33/590414933.db2.gz ZRXUFLMHTZBDBF-ZJUUUORDSA-N 0 3 227.329 0.984 20 0 BCADHN Cc1occc1CN1C[C@H](CO)[C@H](CO)C1 ZINC000877764003 590420204 /nfs/dbraw/zinc/42/02/04/590420204.db2.gz QJNYDQCNHMSLCB-TXEJJXNPSA-N 0 3 225.288 0.621 20 0 BCADHN CO[N-]C(=O)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC000877786166 590424096 /nfs/dbraw/zinc/42/40/96/590424096.db2.gz XLAYFVGDOXJDCV-SECBINFHSA-N 0 3 230.308 0.411 20 0 BCADHN Cc1cn[nH]c1CN1CCC(CO)(CO)CC1 ZINC000877798506 590425129 /nfs/dbraw/zinc/42/51/29/590425129.db2.gz UZMSSERZQSMUSC-UHFFFAOYSA-N 0 3 239.319 0.285 20 0 BCADHN Cn1ccc(CN2CCC(CO)(CO)CC2)c1 ZINC000877798039 590425280 /nfs/dbraw/zinc/42/52/80/590425280.db2.gz GHDMMRFPLYFBQM-UHFFFAOYSA-N 0 3 238.331 0.592 20 0 BCADHN CCS(=O)(=O)CCN(C)[C@@H](CN)C1CC1 ZINC000126747165 590432585 /nfs/dbraw/zinc/43/25/85/590432585.db2.gz AJBDFIOTUOSHIA-JTQLQIEISA-N 0 3 234.365 0.090 20 0 BCADHN O[C@@H](CN1CCC[C@H](O)C1)CC1(O)CCCC1 ZINC000877934436 590451362 /nfs/dbraw/zinc/45/13/62/590451362.db2.gz BVNICHLHDMPMRV-NWDGAFQWSA-N 0 3 243.347 0.499 20 0 BCADHN CO[C@H]1C[C@@H](CN(C)CC(=O)NC(C)C)C1 ZINC000877940719 590453015 /nfs/dbraw/zinc/45/30/15/590453015.db2.gz ILCJJGGUMRQJEW-PHIMTYICSA-N 0 3 228.336 0.868 20 0 BCADHN CO[C@H]1C[C@@H](CN(C)CC(=O)NC2CC2)C1 ZINC000877940522 590453295 /nfs/dbraw/zinc/45/32/95/590453295.db2.gz SWPPAFPBEPCZOR-JGZJWPJOSA-N 0 3 226.320 0.622 20 0 BCADHN CC(C)[C@H](O)CCN1CCN(C)CC1 ZINC000877942398 590454067 /nfs/dbraw/zinc/45/40/67/590454067.db2.gz DTCVKJHWYCYRAC-LLVKDONJSA-N 0 3 200.326 0.641 20 0 BCADHN COCCN1CCN(CC[C@@H](O)C(C)C)CC1 ZINC000877951621 590455634 /nfs/dbraw/zinc/45/56/34/590455634.db2.gz YYMNCCZOBQTURB-CYBMUJFWSA-N 0 3 244.379 0.657 20 0 BCADHN CN(CC(N)=O)C[C@@H]1CC(C)(C)OC1(C)C ZINC000877960128 590458125 /nfs/dbraw/zinc/45/81/25/590458125.db2.gz FXKGSSWCUDTCJI-VIFPVBQESA-N 0 3 228.336 0.997 20 0 BCADHN CN(CC(N)=O)C[C@H]1CC(C)(C)OC1(C)C ZINC000877960127 590458791 /nfs/dbraw/zinc/45/87/91/590458791.db2.gz FXKGSSWCUDTCJI-SECBINFHSA-N 0 3 228.336 0.997 20 0 BCADHN NC(=O)c1ccc(CCN(CCO)C2CC2)cc1 ZINC000877961961 590459536 /nfs/dbraw/zinc/45/95/36/590459536.db2.gz UBEBXLNXNBYCTE-UHFFFAOYSA-N 0 3 248.326 0.785 20 0 BCADHN CC(C)(O)C[C@H](O)CN1CCCC[C@H]1CO ZINC000877963891 590460154 /nfs/dbraw/zinc/46/01/54/590460154.db2.gz SAZVGTMJQQNAGT-QWRGUYRKSA-N 0 3 231.336 0.355 20 0 BCADHN CCC1CCN(CCc2nnnn2C)CC1 ZINC000877974601 590463977 /nfs/dbraw/zinc/46/39/77/590463977.db2.gz CWKWVUPIZZDKHF-UHFFFAOYSA-N 0 3 223.324 0.875 20 0 BCADHN CN(CCn1cnnn1)C[C@@H]1CCCCO1 ZINC000877988075 590466481 /nfs/dbraw/zinc/46/64/81/590466481.db2.gz BWOZLIMDEOOLTL-JTQLQIEISA-N 0 3 225.296 0.174 20 0 BCADHN CNC(=O)[C@H]1CCCN1CC[C@@H](O)C(C)C ZINC000877992099 590467814 /nfs/dbraw/zinc/46/78/14/590467814.db2.gz WWBNTSTYUZMALB-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN CCN(CCc1nnnn1C)C[C@H]1CCCO1 ZINC000878015485 590471457 /nfs/dbraw/zinc/47/14/57/590471457.db2.gz GBFFNXSAYLXTDS-SNVBAGLBSA-N 0 3 239.323 0.254 20 0 BCADHN CO[C@H]1CCCN(C[C@H](O)CC(C)(C)O)C1 ZINC000878047073 590480976 /nfs/dbraw/zinc/48/09/76/590480976.db2.gz OBQLKKMHJADVJN-MNOVXSKESA-N 0 3 231.336 0.619 20 0 BCADHN OCCN(CCO)C[C@H]1CC2(CCC2)CO1 ZINC000878050075 590482382 /nfs/dbraw/zinc/48/23/82/590482382.db2.gz QGBXIBHLDHCZRK-LLVKDONJSA-N 0 3 229.320 0.232 20 0 BCADHN O=C1CCN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)CCN1 ZINC000878050051 590482860 /nfs/dbraw/zinc/48/28/60/590482860.db2.gz PQGLCUKWZRLDNC-SDDRHHMPSA-N 0 3 238.331 0.766 20 0 BCADHN O[C@H](CN1CC[C@H](O)C1)CC1(O)CCCC1 ZINC000878053573 590483454 /nfs/dbraw/zinc/48/34/54/590483454.db2.gz IHZOPFCLRMJSEN-QWRGUYRKSA-N 0 3 229.320 0.109 20 0 BCADHN c1cnn(C2CCN(CCn3cnnn3)CC2)c1 ZINC000878089758 590490567 /nfs/dbraw/zinc/49/05/67/590490567.db2.gz MNVLEVVJDZYDFD-UHFFFAOYSA-N 0 3 247.306 0.207 20 0 BCADHN C[C@@H](O)C1CCN(C[C@H](O)CC(C)(C)O)CC1 ZINC000878097247 590491002 /nfs/dbraw/zinc/49/10/02/590491002.db2.gz XEPCEXBMKNVKOG-ZYHUDNBSSA-N 0 3 245.363 0.601 20 0 BCADHN c1coc([C@H]2CCN(CCn3cnnn3)C2)c1 ZINC000878094396 590491333 /nfs/dbraw/zinc/49/13/33/590491333.db2.gz UDQPOEWZZICIPW-JTQLQIEISA-N 0 3 233.275 0.756 20 0 BCADHN C[C@H]1OCC[C@H]1CN1CCNC(=O)C1(C)C ZINC000878107720 590496550 /nfs/dbraw/zinc/49/65/50/590496550.db2.gz VRAJUMBBEKUTOV-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN CCO[C@H]1CCCN(CCn2cnnn2)C1 ZINC000878117952 590498374 /nfs/dbraw/zinc/49/83/74/590498374.db2.gz AEOXBXVDONKHBC-JTQLQIEISA-N 0 3 225.296 0.174 20 0 BCADHN CC(C)OCCCN(C)CCn1cnnn1 ZINC000878124800 590501966 /nfs/dbraw/zinc/50/19/66/590501966.db2.gz HPUVZJWMLOPVCB-UHFFFAOYSA-N 0 3 227.312 0.420 20 0 BCADHN C[C@H](O)CN(C)C[C@H](O)CC1(O)CCCCC1 ZINC000878130555 590502755 /nfs/dbraw/zinc/50/27/55/590502755.db2.gz ZFXBTTIWVSAGOJ-NWDGAFQWSA-N 0 3 245.363 0.745 20 0 BCADHN C[C@@H](O)CN(C)C[C@H](O)CC1(O)CCCCC1 ZINC000878130557 590502854 /nfs/dbraw/zinc/50/28/54/590502854.db2.gz ZFXBTTIWVSAGOJ-VXGBXAGGSA-N 0 3 245.363 0.745 20 0 BCADHN c1nnnn1CCN1CCC[C@H]2CCC[C@H]21 ZINC000878132774 590503524 /nfs/dbraw/zinc/50/35/24/590503524.db2.gz BITLCHODJPDLTL-GHMZBOCLSA-N 0 3 221.308 0.938 20 0 BCADHN CC[C@@H]1CN(CCc2nnnn2C)CCS1 ZINC000878151177 590506297 /nfs/dbraw/zinc/50/62/97/590506297.db2.gz NHTJQQPLSSFWLL-SECBINFHSA-N 0 3 241.364 0.580 20 0 BCADHN O[C@@H]1C[C@H](O)CN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000878156830 590508980 /nfs/dbraw/zinc/50/89/80/590508980.db2.gz YIJHOYIWZIIUAM-BNDIWNMDSA-N 0 3 241.331 0.372 20 0 BCADHN CC(C)[C@@H](O)CCN1CCC(NC(N)=O)CC1 ZINC000878173595 590515048 /nfs/dbraw/zinc/51/50/48/590515048.db2.gz ZHARYAINSAIPDE-NSHDSACASA-N 0 3 243.351 0.526 20 0 BCADHN c1nnnn1CCN1CCC[C@@H]2COCC[C@H]21 ZINC000878185053 590518812 /nfs/dbraw/zinc/51/88/12/590518812.db2.gz FHCRUTHTBOWDHC-GHMZBOCLSA-N 0 3 237.307 0.174 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCN2C(=O)OC[C@@H]2C1 ZINC000878195530 590521862 /nfs/dbraw/zinc/52/18/62/590521862.db2.gz RZUVLOHJGYHNCF-AXFHLTTASA-N 0 3 240.303 0.548 20 0 BCADHN C[C@@H](CNC(=O)COC1CC1)N1CCCC1 ZINC000878203962 590523815 /nfs/dbraw/zinc/52/38/15/590523815.db2.gz XQSTXRUDQDGZJE-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CCN(CCc1ccccn1)CCn1cnnn1 ZINC000878216158 590525188 /nfs/dbraw/zinc/52/51/88/590525188.db2.gz DFBKXYDQOWTLFV-UHFFFAOYSA-N 0 3 246.318 0.633 20 0 BCADHN CC(C)[C@@H](O)CCN1CCC2(C1)OCCO2 ZINC000878237411 590527240 /nfs/dbraw/zinc/52/72/40/590527240.db2.gz YAUGKVOEYHTXDA-NSHDSACASA-N 0 3 229.320 0.842 20 0 BCADHN CC(C)[C@H](O)CCN1CCC2(C1)OCCO2 ZINC000878237410 590527472 /nfs/dbraw/zinc/52/74/72/590527472.db2.gz YAUGKVOEYHTXDA-LLVKDONJSA-N 0 3 229.320 0.842 20 0 BCADHN C[C@@H]1COCCCN1C[C@H](O)CC(C)(C)O ZINC000878286710 590534626 /nfs/dbraw/zinc/53/46/26/590534626.db2.gz RSCQUXQFAOCPII-GHMZBOCLSA-N 0 3 231.336 0.619 20 0 BCADHN CN(CCn1cnnn1)[C@H]1CCSC1 ZINC000878304997 590538284 /nfs/dbraw/zinc/53/82/84/590538284.db2.gz UCXKBQCOYWQSQS-QMMMGPOBSA-N 0 3 213.310 0.110 20 0 BCADHN c1nnnn1CCN1CCC[C@H]1c1ccncc1 ZINC000878310692 590540068 /nfs/dbraw/zinc/54/00/68/590540068.db2.gz OTTKWDZEQAYZJF-LBPRGKRZSA-N 0 3 244.302 0.905 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@@H](O)C[C@H]1C ZINC000878319507 590544224 /nfs/dbraw/zinc/54/42/24/590544224.db2.gz URLGUNOQMAHOMP-VWYCJHECSA-N 0 3 217.309 0.227 20 0 BCADHN CN(CCc1nnnn1C)CCc1ccncc1 ZINC000878334912 590547991 /nfs/dbraw/zinc/54/79/91/590547991.db2.gz GLUBTDSTORBGRG-UHFFFAOYSA-N 0 3 246.318 0.322 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC(C)(C)O)[C@@H](C)CN1C ZINC000878336497 590549680 /nfs/dbraw/zinc/54/96/80/590549680.db2.gz ZBOZBWKKWMNFKJ-GRYCIOLGSA-N 0 3 244.379 0.533 20 0 BCADHN OCC[C@@H](NCCn1cnnn1)c1ccccc1 ZINC000878350147 590553608 /nfs/dbraw/zinc/55/36/08/590553608.db2.gz LUEMAYYKLKTECT-GFCCVEGCSA-N 0 3 247.302 0.386 20 0 BCADHN C[C@H]1CCOCCN1C[C@H]1CCc2ncnn21 ZINC000878374328 590556025 /nfs/dbraw/zinc/55/60/25/590556025.db2.gz SIVSYCAUNXTOQI-WDEREUQCSA-N 0 3 236.319 0.876 20 0 BCADHN NC(=O)C1(NC[C@H]2CCC3(CCC3)O2)CC1 ZINC000878386067 590558708 /nfs/dbraw/zinc/55/87/08/590558708.db2.gz UTKBJYQNZSQWJO-SECBINFHSA-N 0 3 224.304 0.696 20 0 BCADHN O=C1[C@H](N[C@@H](CO)C2CC2)CCN1C1CCC1 ZINC000878419909 590564157 /nfs/dbraw/zinc/56/41/57/590564157.db2.gz KIDWXCJPAZCJBL-NEPJUHHUSA-N 0 3 238.331 0.500 20 0 BCADHN CC(C)[C@@H](O)CCN1CCN2CCOC[C@H]2C1 ZINC000878429376 590566638 /nfs/dbraw/zinc/56/66/38/590566638.db2.gz FWSJJJKQLHSIQZ-OLZOCXBDSA-N 0 3 242.363 0.410 20 0 BCADHN CC1(C)CC[C@@H](CN2C[C@@H](O)C[C@H]2CO)OC1 ZINC000878443306 590568005 /nfs/dbraw/zinc/56/80/05/590568005.db2.gz YBRPDPZHXVOASG-SRVKXCTJSA-N 0 3 243.347 0.619 20 0 BCADHN CC(C)C[C@@H](CO)N(C)CCc1nnnn1C ZINC000878451538 590569539 /nfs/dbraw/zinc/56/95/39/590569539.db2.gz LFQYKWLPVAKRGJ-JTQLQIEISA-N 0 3 241.339 0.091 20 0 BCADHN COC(=O)CN1CCN(CCCC2CC2)CC1 ZINC000878459709 590570847 /nfs/dbraw/zinc/57/08/47/590570847.db2.gz RGEHNWBBUMVRHZ-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN C[C@H]1CCN(CCn2cnnn2)CCS1 ZINC000878510323 590573842 /nfs/dbraw/zinc/57/38/42/590573842.db2.gz JSAJWTBJZZMHLJ-VIFPVBQESA-N 0 3 227.337 0.501 20 0 BCADHN CO[C@@H]1CN(CCc2nnnn2C)CC[C@H]1C ZINC000878483999 590576934 /nfs/dbraw/zinc/57/69/34/590576934.db2.gz SYWRPNKGQRHTNU-NXEZZACHSA-N 0 3 239.323 0.109 20 0 BCADHN CO[C@@H]1CN(C[C@@H](O)CC(C)(C)O)CC[C@@H]1C ZINC000878482920 590577188 /nfs/dbraw/zinc/57/71/88/590577188.db2.gz BINHXNCZEOUTIT-SDDRHHMPSA-N 0 3 245.363 0.865 20 0 BCADHN C[C@H]1CCSCCN1CCn1cnnn1 ZINC000878504294 590581726 /nfs/dbraw/zinc/58/17/26/590581726.db2.gz GFXUZXCTALEOFI-VIFPVBQESA-N 0 3 227.337 0.501 20 0 BCADHN C[C@@H]1CCC[C@H]1NCc1nnc2c(=O)[nH]ccn12 ZINC000878507287 590583182 /nfs/dbraw/zinc/58/31/82/590583182.db2.gz LHKNKWQSGMKYAX-RKDXNWHRSA-N 0 3 247.302 0.696 20 0 BCADHN CN(CCCO)C[C@H](O)CC1(O)CCCCC1 ZINC000878556492 590592292 /nfs/dbraw/zinc/59/22/92/590592292.db2.gz QMRWOWGYLVXCLZ-GFCCVEGCSA-N 0 3 245.363 0.747 20 0 BCADHN C[C@@H](CO)N(C)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000878568329 590592533 /nfs/dbraw/zinc/59/25/33/590592533.db2.gz YNNWDZQQQLTDGJ-MVWJERBFSA-N 0 3 231.336 0.211 20 0 BCADHN CCCN(CC[C@@H](O)C(C)C)CC(N)=O ZINC000878646657 590601385 /nfs/dbraw/zinc/60/13/85/590601385.db2.gz DZSOYLNHXGIVNF-SNVBAGLBSA-N 0 3 216.325 0.591 20 0 BCADHN CN(Cc1cnc[nH]1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000878659272 590604805 /nfs/dbraw/zinc/60/48/05/590604805.db2.gz PGWVPJDWAXNQSN-NEPJUHHUSA-N 0 3 236.319 0.315 20 0 BCADHN CON1CCN(C[C@@H]2CCO[C@H]2C)CC1 ZINC000878686163 590607928 /nfs/dbraw/zinc/60/79/28/590607928.db2.gz ULLAKOWBFKODGU-QWRGUYRKSA-N 0 3 214.309 0.590 20 0 BCADHN CO[C@H]1CCN(CCc2nnnn2C)C[C@H]1C ZINC000878679337 590608264 /nfs/dbraw/zinc/60/82/64/590608264.db2.gz ZSFSLLIEUKNRNU-ZJUUUORDSA-N 0 3 239.323 0.109 20 0 BCADHN c1nnnn1CCN1CCSC[C@H]1C1CC1 ZINC000878680650 590608335 /nfs/dbraw/zinc/60/83/35/590608335.db2.gz XPTRDPZDJWMVPU-JTQLQIEISA-N 0 3 239.348 0.501 20 0 BCADHN CC(C)[C@H](O)CCN1CCC[C@@H]1C(N)=O ZINC000878679939 590608831 /nfs/dbraw/zinc/60/88/31/590608831.db2.gz FAQDFCKZDRHWEZ-NXEZZACHSA-N 0 3 214.309 0.343 20 0 BCADHN CC[C@@H](C)N1CCN(CCn2cnnn2)CC1 ZINC000878683580 590609502 /nfs/dbraw/zinc/60/95/02/590609502.db2.gz BRGLLDUQLCJNED-LLVKDONJSA-N 0 3 238.339 0.089 20 0 BCADHN CC[C@@H]1CN(CC)CCN1CCn1cnnn1 ZINC000878682991 590609596 /nfs/dbraw/zinc/60/95/96/590609596.db2.gz UWCCECAYCGQRFA-LLVKDONJSA-N 0 3 238.339 0.089 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C[C@@H](O)CC1(O)CCCC1 ZINC000878685593 590609617 /nfs/dbraw/zinc/60/96/17/590609617.db2.gz XCTJLVCUIOPFJZ-GRYCIOLGSA-N 0 3 243.347 0.498 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCN(OC)CC2)C1 ZINC000878686768 590609779 /nfs/dbraw/zinc/60/97/79/590609779.db2.gz HCSDZXNNBBDQMT-PHIMTYICSA-N 0 3 214.309 0.590 20 0 BCADHN CCNC(=O)C(C)(C)NCC[C@@H](O)C(C)C ZINC000878697658 590611175 /nfs/dbraw/zinc/61/11/75/590611175.db2.gz IJVTZDHBQXRUCN-SNVBAGLBSA-N 0 3 230.352 0.898 20 0 BCADHN O=C1OCCN1CCN1CC[C@@H](CCCO)C1 ZINC000878694739 590611229 /nfs/dbraw/zinc/61/12/29/590611229.db2.gz WUIGWMPDXSSSHS-LLVKDONJSA-N 0 3 242.319 0.533 20 0 BCADHN CC(C)[C@H](O)CCN[C@H](CO)c1ccnn1C ZINC000878703742 590612528 /nfs/dbraw/zinc/61/25/28/590612528.db2.gz ZHVIJUCRYWLGMP-ZYHUDNBSSA-N 0 3 241.335 0.450 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1C[C@@H]2C[C@H]1CS2 ZINC000878705722 590613097 /nfs/dbraw/zinc/61/30/97/590613097.db2.gz GLIQJXBYVQOGRH-AEJSXWLSSA-N 0 3 231.361 0.698 20 0 BCADHN Cc1nc([C@H]2CCN(Cc3ccnn3C)C2)n[nH]1 ZINC000878712014 590613572 /nfs/dbraw/zinc/61/35/72/590613572.db2.gz ULZUEZCECRVNQU-JTQLQIEISA-N 0 3 246.318 0.836 20 0 BCADHN Cc1n[nH]c([C@H]2CCN(Cc3ccnn3C)C2)n1 ZINC000878712014 590613574 /nfs/dbraw/zinc/61/35/74/590613574.db2.gz ULZUEZCECRVNQU-JTQLQIEISA-N 0 3 246.318 0.836 20 0 BCADHN Cc1nnc([C@H]2CCN(Cc3ccnn3C)C2)[nH]1 ZINC000878712014 590613576 /nfs/dbraw/zinc/61/35/76/590613576.db2.gz ULZUEZCECRVNQU-JTQLQIEISA-N 0 3 246.318 0.836 20 0 BCADHN C[C@H]1C[C@H](CO)CN(Cc2ccnn2C)C1 ZINC000878720490 590615699 /nfs/dbraw/zinc/61/56/99/590615699.db2.gz PHBKMMYMKBCVBG-QWRGUYRKSA-N 0 3 223.320 0.870 20 0 BCADHN CC(=O)N[C@H]1CCN(CC[C@H](O)C(C)C)C1 ZINC000878721405 590615934 /nfs/dbraw/zinc/61/59/34/590615934.db2.gz VNXIPUMAXBJLSD-RYUDHWBXSA-N 0 3 228.336 0.604 20 0 BCADHN CC(=O)N[C@@H]1CCN(CC[C@H](O)C(C)C)C1 ZINC000878721403 590615950 /nfs/dbraw/zinc/61/59/50/590615950.db2.gz VNXIPUMAXBJLSD-NEPJUHHUSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H]1C[C@H](CO)CN(Cc2cnc[nH]2)C1 ZINC000878720658 590616194 /nfs/dbraw/zinc/61/61/94/590616194.db2.gz QRGQUYDXHYSIFC-UWVGGRQHSA-N 0 3 209.293 0.860 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@H](O)CC(C)(C)O ZINC000878722424 590616621 /nfs/dbraw/zinc/61/66/21/590616621.db2.gz UMUKZRSSILQXAO-GMTAPVOTSA-N 0 3 231.336 0.354 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1C[C@H](O)CC(C)(C)O ZINC000878722426 590616913 /nfs/dbraw/zinc/61/69/13/590616913.db2.gz UMUKZRSSILQXAO-OUAUKWLOSA-N 0 3 231.336 0.354 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)COC1CC1 ZINC000878729924 590617684 /nfs/dbraw/zinc/61/76/84/590617684.db2.gz BLLKTVLCYBLOII-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CC1(C(N)=O)CN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000878757036 590618416 /nfs/dbraw/zinc/61/84/16/590618416.db2.gz ACSGIWNUFGFUSG-SNVBAGLBSA-N 0 3 238.331 0.895 20 0 BCADHN CC(C)O[C@@H]1CCN(CCc2nnnn2C)C1 ZINC000878755448 590618523 /nfs/dbraw/zinc/61/85/23/590618523.db2.gz IQUIOQMHJJZPIV-SNVBAGLBSA-N 0 3 239.323 0.252 20 0 BCADHN CC1(C(N)=O)CN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878757035 590618971 /nfs/dbraw/zinc/61/89/71/590618971.db2.gz ACSGIWNUFGFUSG-JTQLQIEISA-N 0 3 238.331 0.895 20 0 BCADHN c1nnnn1CCN1CC[C@@H](c2cccnc2)C1 ZINC000878760709 590619339 /nfs/dbraw/zinc/61/93/39/590619339.db2.gz PXFCWEVVCSLQLR-GFCCVEGCSA-N 0 3 244.302 0.558 20 0 BCADHN C[C@@H](CO)C1CCN(CCn2cnnn2)CC1 ZINC000878807757 590625990 /nfs/dbraw/zinc/62/59/90/590625990.db2.gz TYMPJHRBMSFNQR-JTQLQIEISA-N 0 3 239.323 0.014 20 0 BCADHN CN1CCN([C@H]2CCOC2=O)C[C@@H]1C(C)(C)C ZINC000878842378 590630466 /nfs/dbraw/zinc/63/04/66/590630466.db2.gz PSMQRWIWNFOTJR-WDEREUQCSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)[C@H](O)CCNC1(C(N)=O)CCOCC1 ZINC000878934712 590655879 /nfs/dbraw/zinc/65/58/79/590655879.db2.gz RFIQUFZUEZAAMB-SNVBAGLBSA-N 0 3 244.335 0.018 20 0 BCADHN O=C1CCCC12CCN(CCn1cnnn1)CC2 ZINC000878968858 590663910 /nfs/dbraw/zinc/66/39/10/590663910.db2.gz CUAUUPIRFDJXKD-UHFFFAOYSA-N 0 3 249.318 0.508 20 0 BCADHN Cn1nnnc1CCN1CC[C@H]2C[C@H]2C1 ZINC000878988818 590667933 /nfs/dbraw/zinc/66/79/33/590667933.db2.gz QWBDRCZOFNUCHJ-IUCAKERBSA-N 0 3 207.281 0.094 20 0 BCADHN CN1CCN(CCCCCCCO)[C@@H](CO)C1 ZINC000879002931 590675135 /nfs/dbraw/zinc/67/51/35/590675135.db2.gz RFRDQOXVEWQQFK-CYBMUJFWSA-N 0 3 244.379 0.538 20 0 BCADHN C[C@@H](CN1C[C@H](O)C[C@H]1C(N)=O)CC(C)(C)C ZINC000879013288 590676428 /nfs/dbraw/zinc/67/64/28/590676428.db2.gz JORPSSWOECMHIE-MXWKQRLJSA-N 0 3 242.363 0.979 20 0 BCADHN COCCC1CCN(CCn2cnnn2)CC1 ZINC000879030113 590681429 /nfs/dbraw/zinc/68/14/29/590681429.db2.gz BLQCLNOTKBGVJB-UHFFFAOYSA-N 0 3 239.323 0.422 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCC[C@H]2C(N)=O)C1 ZINC000879037867 590684466 /nfs/dbraw/zinc/68/44/66/590684466.db2.gz HXFKVAZRNZZWKW-AEJSXWLSSA-N 0 3 212.293 0.361 20 0 BCADHN COC[C@H](C)N1CCC([C@H](F)C(N)=O)CC1 ZINC000879041891 590685077 /nfs/dbraw/zinc/68/50/77/590685077.db2.gz TVLJUUPVPGCONL-WPRPVWTQSA-N 0 3 232.299 0.557 20 0 BCADHN CC(C)OCCN1CCC([C@H](F)C(N)=O)CC1 ZINC000879042112 590685677 /nfs/dbraw/zinc/68/56/77/590685677.db2.gz NYYWHWYGQAECBH-NSHDSACASA-N 0 3 246.326 0.947 20 0 BCADHN NC(=O)[C@@H](F)C1CCN(CCCF)CC1 ZINC000879045147 590685771 /nfs/dbraw/zinc/68/57/71/590685771.db2.gz IHEBZDNNJKOGKZ-VIFPVBQESA-N 0 3 220.263 0.881 20 0 BCADHN NC(=O)[C@H](F)C1CCN(C[C@@H]2CCCO2)CC1 ZINC000879046338 590687597 /nfs/dbraw/zinc/68/75/97/590687597.db2.gz ARBOQVDABCEKSJ-WDEREUQCSA-N 0 3 244.310 0.701 20 0 BCADHN CCOC(CN1CC[C@@H](C(=O)OC)C1)OCC ZINC000127544703 590703675 /nfs/dbraw/zinc/70/36/75/590703675.db2.gz IPOAJJOHBDLDED-SNVBAGLBSA-N 0 3 245.319 0.880 20 0 BCADHN Cc1[nH]ncc1CN(C)[C@H]1CCOC1=O ZINC000879185248 590709486 /nfs/dbraw/zinc/70/94/86/590709486.db2.gz IJQGMWJYRRUHJT-VIFPVBQESA-N 0 3 209.249 0.465 20 0 BCADHN Cc1[nH]ncc1CN(C)Cc1cnon1 ZINC000879187729 590710656 /nfs/dbraw/zinc/71/06/56/590710656.db2.gz BKQVIVGDUPNKQH-UHFFFAOYSA-N 0 3 207.237 0.733 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1CCO ZINC000879220895 590717910 /nfs/dbraw/zinc/71/79/10/590717910.db2.gz CERRYRVVOTWAPI-VHSXEESVSA-N 0 3 244.335 0.966 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)COC1CC1 ZINC000879257976 590722113 /nfs/dbraw/zinc/72/21/13/590722113.db2.gz XSNFBIHCQKYSBK-UHFFFAOYSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@@]1(O)CCCN(CC2OCCO2)C1 ZINC000879313628 590737346 /nfs/dbraw/zinc/73/73/46/590737346.db2.gz NBPRKVUEGMSRHE-LLVKDONJSA-N 0 3 215.293 0.596 20 0 BCADHN CNC(=O)NC[C@@H]1CCCCN1C[C@@H](C)CO ZINC000879335305 590749130 /nfs/dbraw/zinc/74/91/30/590749130.db2.gz RQNKZBIVSYNBOJ-MNOVXSKESA-N 0 3 243.351 0.398 20 0 BCADHN CNC(=O)NC[C@H]1CCCCN1C[C@@H](C)CO ZINC000879335304 590749613 /nfs/dbraw/zinc/74/96/13/590749613.db2.gz RQNKZBIVSYNBOJ-GHMZBOCLSA-N 0 3 243.351 0.398 20 0 BCADHN CNC(=O)NC[C@H]1CCCCN1C[C@@H](C)OC ZINC000879336919 590750799 /nfs/dbraw/zinc/75/07/99/590750799.db2.gz ZQRGEXGXMOBHKJ-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN CNC(=O)CNC(C)(C)[C@H]1CCCCO1 ZINC000879407200 590759984 /nfs/dbraw/zinc/75/99/84/590759984.db2.gz WMEQLYQCZXFHBX-SECBINFHSA-N 0 3 214.309 0.670 20 0 BCADHN O[C@@H]1CCN(CC2OCCO2)[C@@H]2CCCC[C@@H]12 ZINC000879419726 590767273 /nfs/dbraw/zinc/76/72/73/590767273.db2.gz PSDNSEMCVOGIGU-IJLUTSLNSA-N 0 3 241.331 0.985 20 0 BCADHN C[S@](=O)CCN1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000879420122 590767306 /nfs/dbraw/zinc/76/73/06/590767306.db2.gz SFLOGANZDCSTMQ-YWDSYVAPSA-N 0 3 245.388 0.990 20 0 BCADHN COC(=O)C[C@](C)(NCC(C)=O)C1CC1 ZINC000879443494 590771416 /nfs/dbraw/zinc/77/14/16/590771416.db2.gz OKYMVZHQHFRSPY-NSHDSACASA-N 0 3 213.277 0.897 20 0 BCADHN CCOCCN(CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879486014 590779212 /nfs/dbraw/zinc/77/92/12/590779212.db2.gz IZKJZPVDFWUQLW-LBPRGKRZSA-N 0 3 240.347 0.999 20 0 BCADHN CC[C@H](O)CN(CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879485972 590779540 /nfs/dbraw/zinc/77/95/40/590779540.db2.gz IIGYCMGSKRDOMR-RYUDHWBXSA-N 0 3 240.347 0.733 20 0 BCADHN CCCN1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879482467 590779592 /nfs/dbraw/zinc/77/95/92/590779592.db2.gz SWRZTPHCRAWUEM-NSHDSACASA-N 0 3 226.276 0.790 20 0 BCADHN C[C@@H](O)CCN(CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879487908 590781197 /nfs/dbraw/zinc/78/11/97/590781197.db2.gz NTKVZSPPWJKTMR-SKDRFNHKSA-N 0 3 240.347 0.733 20 0 BCADHN C[C@@H](O)CN(CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879486861 590781964 /nfs/dbraw/zinc/78/19/64/590781964.db2.gz QUVSRVGUAZNPQL-LDYMZIIASA-N 0 3 226.320 0.343 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@H]2CSC[C@@H]2C1 ZINC000879558920 590802253 /nfs/dbraw/zinc/80/22/53/590802253.db2.gz MCWLMSARUFVJLW-GUBZILKMSA-N 0 3 226.345 0.560 20 0 BCADHN CON(C)C(=O)CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879562883 590802337 /nfs/dbraw/zinc/80/23/37/590802337.db2.gz NPTGWLNPWVAIDA-NXEZZACHSA-N 0 3 244.360 0.691 20 0 BCADHN CN1CCN(C2CCN(CCF)CC2)CC1 ZINC000879592994 590823387 /nfs/dbraw/zinc/82/33/87/590823387.db2.gz BBWNUEJFOGDLCJ-UHFFFAOYSA-N 0 3 229.343 0.668 20 0 BCADHN CC(C)[C@H]1CN(C[C@@H]2CCC(=O)O2)CCN1C ZINC000879600926 590825517 /nfs/dbraw/zinc/82/55/17/590825517.db2.gz HWLGVCNAARGOOC-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CC1(C)C[C@@H](O)CN(CCOCCO)C1 ZINC000879618740 590833079 /nfs/dbraw/zinc/83/30/79/590833079.db2.gz BSEGWGMPYDPRIE-SNVBAGLBSA-N 0 3 217.309 0.088 20 0 BCADHN CC(=O)NCCCN1CCC(C(C)(C)O)CC1 ZINC000879625890 590839701 /nfs/dbraw/zinc/83/97/01/590839701.db2.gz MOZBCOJOYBEMIM-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](NCCC1OCCO1)c1ccnn1C ZINC000879687130 590848775 /nfs/dbraw/zinc/84/87/75/590848775.db2.gz OHLYDIYHZQXZPE-SECBINFHSA-N 0 3 225.292 0.834 20 0 BCADHN C[C@@H](NCCN1CCNC1=O)c1ccnn1C ZINC000879687346 590849047 /nfs/dbraw/zinc/84/90/47/590849047.db2.gz QQWLLHIUNHPLTD-SECBINFHSA-N 0 3 237.307 0.096 20 0 BCADHN CC(C)CN1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879722736 590855266 /nfs/dbraw/zinc/85/52/66/590855266.db2.gz PMCCLNDJNJJGMS-QWRGUYRKSA-N 0 3 226.320 0.622 20 0 BCADHN CCON(CC)C[C@@H](O)CN1CCCC1 ZINC000879794731 590873043 /nfs/dbraw/zinc/87/30/43/590873043.db2.gz HMYNWAYWMMRCQS-NSHDSACASA-N 0 3 216.325 0.717 20 0 BCADHN CCON(CC)C[C@H](O)CN(C)C1CC1 ZINC000879799263 590876993 /nfs/dbraw/zinc/87/69/93/590876993.db2.gz KTEBQAMAVOCKCD-LLVKDONJSA-N 0 3 216.325 0.715 20 0 BCADHN COCCN1CCC(c2nnnn2C)CC1 ZINC000879916229 590885187 /nfs/dbraw/zinc/88/51/87/590885187.db2.gz ZAQKOOJJRBZEIW-UHFFFAOYSA-N 0 3 225.296 0.036 20 0 BCADHN CCOCCN1CCC(CO)(CO)CC1 ZINC000879967789 590900848 /nfs/dbraw/zinc/90/08/48/590900848.db2.gz CZZJNOLGYTXOBK-UHFFFAOYSA-N 0 3 217.309 0.090 20 0 BCADHN CC(C)(O)[C@@H]1CCCN(CC2OCCO2)C1 ZINC000879964366 590898731 /nfs/dbraw/zinc/89/87/31/590898731.db2.gz XOAXUQQNSSNSHV-SNVBAGLBSA-N 0 3 229.320 0.842 20 0 BCADHN COC(=O)CCCN1CCC(CO)(CO)CC1 ZINC000879968871 590901622 /nfs/dbraw/zinc/90/16/22/590901622.db2.gz ZLLKZNWJFPJDLT-UHFFFAOYSA-N 0 3 245.319 0.006 20 0 BCADHN COC(=O)CC[C@@H]1CCCN([C@H](C)C(N)=O)C1 ZINC000880038489 590912505 /nfs/dbraw/zinc/91/25/05/590912505.db2.gz YJJDEBOJTCFGOP-ZJUUUORDSA-N 0 3 242.319 0.525 20 0 BCADHN OC[C@H]1CN2CCC[C@H]2CN1Cc1ccon1 ZINC000880069412 590917519 /nfs/dbraw/zinc/91/75/19/590917519.db2.gz IXDPXZQFXRAUDE-NWDGAFQWSA-N 0 3 237.303 0.316 20 0 BCADHN CN(CCS(N)(=O)=O)CC1CC2(CCC2)C1 ZINC000880085426 590920223 /nfs/dbraw/zinc/92/02/23/590920223.db2.gz MQZFGYNEWQGQRN-UHFFFAOYSA-N 0 3 246.376 0.787 20 0 BCADHN CN(CCS(N)(=O)=O)CC12CCC(CC1)C2 ZINC000880085755 590922512 /nfs/dbraw/zinc/92/25/12/590922512.db2.gz VALNCZLTBRAGMC-UHFFFAOYSA-N 0 3 246.376 0.787 20 0 BCADHN CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CCCN2C ZINC000880131252 590933529 /nfs/dbraw/zinc/93/35/29/590933529.db2.gz SIANZVWADRDTGJ-MNOVXSKESA-N 0 3 225.336 0.243 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2CC[S@@](C)=O ZINC000880137204 590940793 /nfs/dbraw/zinc/94/07/93/590940793.db2.gz ZRRLVNSITXNAIJ-UEKVPHQBSA-N 0 3 230.377 0.533 20 0 BCADHN CCn1nncc1CN1CC[C@@H]2[C@@H]1CCCN2C ZINC000880141705 590941889 /nfs/dbraw/zinc/94/18/89/590941889.db2.gz KJCGRZIVDVXNEZ-OLZOCXBDSA-N 0 3 249.362 0.967 20 0 BCADHN CCn1ncc(CN2CC[C@@H]3[C@@H]2CCCN3C)n1 ZINC000880143151 590943786 /nfs/dbraw/zinc/94/37/86/590943786.db2.gz YQAPUFOZWPYULL-OLZOCXBDSA-N 0 3 249.362 0.967 20 0 BCADHN CC[C@H](O)CN1CCNC(=O)CC12CCC2 ZINC000880167780 590948848 /nfs/dbraw/zinc/94/88/48/590948848.db2.gz RMEBFOUBQNFBDV-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN O=C1CC2(CCC2)N(Cc2cnc[nH]2)CCN1 ZINC000880166319 590949279 /nfs/dbraw/zinc/94/92/79/590949279.db2.gz DJHQPLUKCARWBB-UHFFFAOYSA-N 0 3 234.303 0.654 20 0 BCADHN Cn1nnnc1CCN1CCC[C@@H](CF)C1 ZINC000880238849 590971751 /nfs/dbraw/zinc/97/17/51/590971751.db2.gz MWCSUFQQYZJAJG-VIFPVBQESA-N 0 3 227.287 0.434 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC(F)CC1 ZINC000880239744 590973174 /nfs/dbraw/zinc/97/31/74/590973174.db2.gz OWAOEZJOYZRTPA-SNVBAGLBSA-N 0 3 203.257 0.760 20 0 BCADHN CC(=O)NCCCN1CCC(F)CC1 ZINC000880240276 590973945 /nfs/dbraw/zinc/97/39/45/590973945.db2.gz SECDCKYIKJJCIN-UHFFFAOYSA-N 0 3 202.273 0.947 20 0 BCADHN CNS(=O)(=O)CCCN1CC[C@H](CF)C1 ZINC000880292935 590983630 /nfs/dbraw/zinc/98/36/30/590983630.db2.gz ARDPQMPWFTVVBY-SECBINFHSA-N 0 3 238.328 0.217 20 0 BCADHN CNC(=O)CN1CCN(c2ccncc2)[C@H](C)C1 ZINC000880259254 590978786 /nfs/dbraw/zinc/97/87/86/590978786.db2.gz OMZCYDORUYFWSR-LLVKDONJSA-N 0 3 248.330 0.338 20 0 BCADHN Cn1nnnc1CCN1CC[C@H](CF)C1 ZINC000880301088 590997050 /nfs/dbraw/zinc/99/70/50/590997050.db2.gz LUKHNQPJTCLYMG-MRVPVSSYSA-N 0 3 213.260 0.044 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)COC1CC1 ZINC000880329556 591007217 /nfs/dbraw/zinc/00/72/17/591007217.db2.gz YBQDSPFXCDQKNE-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN c1[nH]nnc1CCNC1(c2ncccn2)CCC1 ZINC000880367581 591012797 /nfs/dbraw/zinc/01/27/97/591012797.db2.gz IULMHYWPSDAWGQ-UHFFFAOYSA-N 0 3 244.302 0.806 20 0 BCADHN CCC[C@H](O)CN(CC(N)=O)C1CCOCC1 ZINC000880395616 591018434 /nfs/dbraw/zinc/01/84/34/591018434.db2.gz NHIMJZVAAKIHGJ-NSHDSACASA-N 0 3 244.335 0.114 20 0 BCADHN CCOCCCN(CC(N)=O)C1CCOCC1 ZINC000880392333 591020018 /nfs/dbraw/zinc/02/00/18/591020018.db2.gz DDBFVBRTLYDHFR-UHFFFAOYSA-N 0 3 244.335 0.379 20 0 BCADHN Cc1nn(C)c(C)c1CN1C[C@@H]2C[C@]2(O)C1 ZINC000880417934 591022177 /nfs/dbraw/zinc/02/21/77/591022177.db2.gz XNGZFCLVQHJBNV-JQWIXIFHSA-N 0 3 221.304 0.604 20 0 BCADHN Cn1cc(CCCN2C[C@H]3C[C@@]3(O)C2)cn1 ZINC000880417699 591026774 /nfs/dbraw/zinc/02/67/74/591026774.db2.gz SMQWRUOBQXMOEX-VXGBXAGGSA-N 0 3 221.304 0.419 20 0 BCADHN Cn1nnc2cc(CN3C[C@@H]4C[C@]4(O)C3)ccc21 ZINC000880416062 591026922 /nfs/dbraw/zinc/02/69/22/591026922.db2.gz GUXUYQNKIPQWST-GWCFXTLKSA-N 0 3 244.298 0.535 20 0 BCADHN O[C@@]12C[C@@H]1CN(CCCOC(F)(F)F)C2 ZINC000880420891 591029454 /nfs/dbraw/zinc/02/94/54/591029454.db2.gz RSHHVZNOLKPSER-HTQZYQBOSA-N 0 3 225.210 0.980 20 0 BCADHN NC(=O)c1ccc(CCN2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000880420252 591029501 /nfs/dbraw/zinc/02/95/01/591029501.db2.gz BCSMQYMWLYPYHG-TZMCWYRMSA-N 0 3 246.310 0.395 20 0 BCADHN CCN(C#N)CCN1[C@@H](C)CC[C@H]1CO ZINC000880435820 591038297 /nfs/dbraw/zinc/03/82/97/591038297.db2.gz VGTFZUSWYLTMPD-QWRGUYRKSA-N 0 3 211.309 0.635 20 0 BCADHN C[C@@H]1CC[C@H](CO)N1CC[S@@](C)=O ZINC000880443684 591044285 /nfs/dbraw/zinc/04/42/85/591044285.db2.gz KILVOFNJXSRARE-JRKPZEMJSA-N 0 3 205.323 0.210 20 0 BCADHN C[C@@H]1CC[C@H](CO)N1CCn1cncn1 ZINC000880443310 591044804 /nfs/dbraw/zinc/04/48/04/591044804.db2.gz GMEHOWQGXHMCEB-NXEZZACHSA-N 0 3 210.281 0.123 20 0 BCADHN CC(C)OC[C@@H](O)CN1CC=C[C@@H]1CO ZINC000880483193 591057296 /nfs/dbraw/zinc/05/72/96/591057296.db2.gz CFMJUYWUGFHUBF-MNOVXSKESA-N 0 3 215.293 0.005 20 0 BCADHN C[C@@H]1CCCN1C(=O)CCN1CC=C[C@@H]1CO ZINC000880485341 591057592 /nfs/dbraw/zinc/05/75/92/591057592.db2.gz BZTGKIXTAJEFFO-VXGBXAGGSA-N 0 3 238.331 0.620 20 0 BCADHN OC[C@H]1C=CCN1C[C@@H](O)Cc1ccccc1 ZINC000880488792 591065842 /nfs/dbraw/zinc/06/58/42/591065842.db2.gz MCSWZIPSFIRTAY-KGLIPLIRSA-N 0 3 233.311 0.823 20 0 BCADHN CC1(C)OC[C@H](CN2CC=C[C@@H]2CO)O1 ZINC000880490562 591067626 /nfs/dbraw/zinc/06/76/26/591067626.db2.gz BPVIFWHMWWOBJF-ZJUUUORDSA-N 0 3 213.277 0.371 20 0 BCADHN Cn1cncc1CCN1CC=C[C@@H]1CO ZINC000880492656 591070444 /nfs/dbraw/zinc/07/04/44/591070444.db2.gz UOUGUHNVHDBRBG-LLVKDONJSA-N 0 3 207.277 0.195 20 0 BCADHN O=C1NCCC[C@@H]1N[C@@H]1CCC[C@]12CCCO2 ZINC000880503567 591078438 /nfs/dbraw/zinc/07/84/38/591078438.db2.gz CIJFVMYJVYMTTC-LOWVWBTDSA-N 0 3 238.331 0.956 20 0 BCADHN O=C1NCC[C@@H]1N[C@@H]1CCC[C@]12CCCO2 ZINC000880506607 591079185 /nfs/dbraw/zinc/07/91/85/591079185.db2.gz DFBXIQMKQZFXOV-UMNHJUIQSA-N 0 3 224.304 0.566 20 0 BCADHN COC(=O)[C@]1(O)CCN(CCCCF)C1 ZINC000880566125 591088309 /nfs/dbraw/zinc/08/83/09/591088309.db2.gz URPQHBCTBVHIAW-JTQLQIEISA-N 0 3 219.256 0.346 20 0 BCADHN COC(=O)[C@]1(O)CCN(CC[C@H]2CCCO2)C1 ZINC000880566439 591089800 /nfs/dbraw/zinc/08/98/00/591089800.db2.gz JZKOXIUEIGFLAH-PWSUYJOCSA-N 0 3 243.303 0.165 20 0 BCADHN COC(=O)[C@]1(O)CCN(C[C@H]2CCCCO2)C1 ZINC000880557709 591090302 /nfs/dbraw/zinc/09/03/02/591090302.db2.gz BTGIDKGRKREPQU-PWSUYJOCSA-N 0 3 243.303 0.165 20 0 BCADHN COC(=O)[C@]1(O)CCN(CCCCCCO)C1 ZINC000880562572 591094376 /nfs/dbraw/zinc/09/43/76/591094376.db2.gz OFKGKIXFACCTTH-LBPRGKRZSA-N 0 3 245.319 0.149 20 0 BCADHN CC[C@H](CN1CC[C@@](O)(C(=O)OC)C1)OC ZINC000880564513 591095091 /nfs/dbraw/zinc/09/50/91/591095091.db2.gz AOBJJGXGMDRXAS-KOLCDFICSA-N 0 3 231.292 0.021 20 0 BCADHN COC(=O)[C@]1(O)CCN(CC2=CCCC2)C1 ZINC000880567600 591095713 /nfs/dbraw/zinc/09/57/13/591095713.db2.gz KUVAVXLCPSQMTN-LBPRGKRZSA-N 0 3 225.288 0.707 20 0 BCADHN COC(=O)[C@]1(O)CCN(C[C@@H](OC)C2CC2)C1 ZINC000880567817 591096002 /nfs/dbraw/zinc/09/60/02/591096002.db2.gz OZWPTYQTOHWWNU-PWSUYJOCSA-N 0 3 243.303 0.021 20 0 BCADHN COC(=O)[C@@]1(O)CCN(C[C@H](O)C(C)(C)C)C1 ZINC000880565864 591097454 /nfs/dbraw/zinc/09/74/54/591097454.db2.gz QWAKXYJJWBCHMU-JOYOIKCWSA-N 0 3 245.319 0.003 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)C[C@@H](C)O ZINC000880590357 591102852 /nfs/dbraw/zinc/10/28/52/591102852.db2.gz OPPPOZKOPSPGRS-BDAKNGLRSA-N 0 3 202.298 0.199 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)CCC[C@H](C)O ZINC000880590013 591103378 /nfs/dbraw/zinc/10/33/78/591103378.db2.gz JLXDTTSXEBJZJQ-QWRGUYRKSA-N 0 3 230.352 0.979 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000888849915 591150266 /nfs/dbraw/zinc/15/02/66/591150266.db2.gz AXNMADHCFAQRPT-OQEOFVATSA-N 0 3 238.331 0.619 20 0 BCADHN CC(C)COC(=O)Cn1cc([C@@H](C)N)nn1 ZINC000881309162 591186214 /nfs/dbraw/zinc/18/62/14/591186214.db2.gz RZLUMOPSVJFPTG-MRVPVSSYSA-N 0 3 226.280 0.497 20 0 BCADHN C[C@H](N)c1cn(C[C@H]2CCO[C@H]2C)nn1 ZINC000881366328 591195821 /nfs/dbraw/zinc/19/58/21/591195821.db2.gz DAROGGLUCIAXTE-XHNCKOQMSA-N 0 3 210.281 0.723 20 0 BCADHN C[C@H](N)c1cn(Cc2cc3n(n2)CCCC3)nn1 ZINC000881361494 591196385 /nfs/dbraw/zinc/19/63/85/591196385.db2.gz STKBPYUDYXCFJJ-VIFPVBQESA-N 0 3 246.318 0.879 20 0 BCADHN COc1cncc(Cn2cc([C@@H](C)N)nn2)c1 ZINC000881377835 591197914 /nfs/dbraw/zinc/19/79/14/591197914.db2.gz ZSLMFVSKUXVNPS-MRVPVSSYSA-N 0 3 233.275 0.750 20 0 BCADHN CCn1nc(C)c(Cn2cc([C@H](C)N)nn2)n1 ZINC000881378144 591197970 /nfs/dbraw/zinc/19/79/70/591197970.db2.gz GTKYOFUCCOPNHW-ZETCQYMHSA-N 0 3 235.295 0.266 20 0 BCADHN CC[C@@H](N)c1cn(Cc2nn(CC)nc2C)nn1 ZINC000881378001 591197999 /nfs/dbraw/zinc/19/79/99/591197999.db2.gz ATCNBZYGBYBVNQ-SECBINFHSA-N 0 3 249.322 0.656 20 0 BCADHN COC[C@H](N)Cc1cn(C/C=C\Cl)nn1 ZINC000881427301 591203683 /nfs/dbraw/zinc/20/36/83/591203683.db2.gz HWMOGFZUBLDKBT-YAJNLLPGSA-N 0 3 230.699 0.547 20 0 BCADHN COC[C@@H](N)Cc1cn(C/C=C/Cl)nn1 ZINC000881427299 591204195 /nfs/dbraw/zinc/20/41/95/591204195.db2.gz HWMOGFZUBLDKBT-SGJFDWMWSA-N 0 3 230.699 0.547 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CC[C@H](CF)C1 ZINC000881666733 591261795 /nfs/dbraw/zinc/26/17/95/591261795.db2.gz DJTSPKALHDPNRV-ZJUUUORDSA-N 0 3 214.284 0.899 20 0 BCADHN CN(C)CCCNc1ncc(C=O)cn1 ZINC000881737167 591267944 /nfs/dbraw/zinc/26/79/44/591267944.db2.gz TXAKSOJLUNCZEN-UHFFFAOYSA-N 0 3 208.265 0.653 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H](O)c1ccccc1F ZINC000129294794 591275739 /nfs/dbraw/zinc/27/57/39/591275739.db2.gz ASAGUULQHRHHJL-GHMZBOCLSA-N 0 3 240.278 0.713 20 0 BCADHN C[C@@H]1CCCN1CCNc1cc(C(N)=O)ncn1 ZINC000882031588 591289768 /nfs/dbraw/zinc/28/97/68/591289768.db2.gz IUDFGUKCKPAMIN-SECBINFHSA-N 0 3 249.318 0.472 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1C[C@@H](COC)C1 ZINC000882098416 591297386 /nfs/dbraw/zinc/29/73/86/591297386.db2.gz BLRJUXGAJTYYBL-PHIMTYICSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](CN(C)C)Nc1ncc(C=O)cn1 ZINC000882366492 591338862 /nfs/dbraw/zinc/33/88/62/591338862.db2.gz GSSPURLWLZKPGN-QMMMGPOBSA-N 0 3 208.265 0.651 20 0 BCADHN CCN1CC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000882483927 591358774 /nfs/dbraw/zinc/35/87/74/591358774.db2.gz NXQBYWRXBWMMLO-VIFPVBQESA-N 0 3 248.330 0.722 20 0 BCADHN CCN1CC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC000882486924 591363990 /nfs/dbraw/zinc/36/39/90/591363990.db2.gz YPZKLKKCSPWHQJ-NWDGAFQWSA-N 0 3 241.379 0.783 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccnn1CC1CC1 ZINC000129818741 591410913 /nfs/dbraw/zinc/41/09/13/591410913.db2.gz TWZNQZOXQZMFJY-SECBINFHSA-N 0 3 222.292 0.969 20 0 BCADHN CC1(N2CCC2)CCN(S(C)(=O)=O)CC1 ZINC000882768682 591434647 /nfs/dbraw/zinc/43/46/47/591434647.db2.gz OBIHRCGLDXZJQD-UHFFFAOYSA-N 0 3 232.349 0.506 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@](C)(CC)CC(=O)OC ZINC000130201784 591447715 /nfs/dbraw/zinc/44/77/15/591447715.db2.gz ZQORBXLYLWQHPZ-KCJUWKMLSA-N 0 3 230.308 0.572 20 0 BCADHN C[C@@H](O)CNCc1c2c(nn1C)CCSC2 ZINC000882877370 591460487 /nfs/dbraw/zinc/46/04/87/591460487.db2.gz MIZZYOGGZHQEEP-MRVPVSSYSA-N 0 3 241.360 0.680 20 0 BCADHN CCn1cncc1CN[C@@H](CO)C1CC1 ZINC000883002252 591504597 /nfs/dbraw/zinc/50/45/97/591504597.db2.gz BCFDMHUIKNWYRP-NSHDSACASA-N 0 3 209.293 0.764 20 0 BCADHN CC(C)c1nnc(CONC(=N)CO)s1 ZINC000883012614 591513212 /nfs/dbraw/zinc/51/32/12/591513212.db2.gz MBDLDIRDPYTHPP-UHFFFAOYSA-N 0 3 230.293 0.652 20 0 BCADHN OCc1cc(N2CCc3ncncc3C2)ccn1 ZINC000883017528 591515991 /nfs/dbraw/zinc/51/59/91/591515991.db2.gz PHYDWLPWABQGHU-UHFFFAOYSA-N 0 3 242.282 0.927 20 0 BCADHN CO[C@@H](C)[C@@H](C)NCCS(=O)(=O)CC1CC1 ZINC000130842081 591529110 /nfs/dbraw/zinc/52/91/10/591529110.db2.gz GWYSDERBXFTSPG-ZJUUUORDSA-N 0 3 249.376 0.824 20 0 BCADHN Cn1nncc1CNC[C@H]1CSCCS1 ZINC000131155847 591559845 /nfs/dbraw/zinc/55/98/45/591559845.db2.gz JNONCVRMKGTHPV-VIFPVBQESA-N 0 3 244.389 0.753 20 0 BCADHN CON(C)CCNCc1c(C)cnn1C ZINC000883171106 591561080 /nfs/dbraw/zinc/56/10/80/591561080.db2.gz OPAPPUFSKMTOKB-UHFFFAOYSA-N 0 3 212.297 0.311 20 0 BCADHN COc1ccc(CNCCN(C)OC)cn1 ZINC000883172149 591562193 /nfs/dbraw/zinc/56/21/93/591562193.db2.gz XNWBKGMCTVASSY-UHFFFAOYSA-N 0 3 225.292 0.673 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1cccc(F)c1N ZINC000883196623 591568806 /nfs/dbraw/zinc/56/88/06/591568806.db2.gz SRFSRHVLZJAYSX-GMSGAONNSA-N 0 3 228.267 0.239 20 0 BCADHN COC(=O)/C(C)=C\CN(C)C[C@H](C)O ZINC000214550711 591607198 /nfs/dbraw/zinc/60/71/98/591607198.db2.gz TVGLXNHSHMRHLV-RDOCRHDPSA-N 0 3 201.266 0.418 20 0 BCADHN CC[C@H](C)CNCc1nnc2c(=O)n(C)ccn12 ZINC000883333301 591617082 /nfs/dbraw/zinc/61/70/82/591617082.db2.gz PWFFEBIZAXKMJZ-VIFPVBQESA-N 0 3 249.318 0.564 20 0 BCADHN COCCN(CCCF)CCC(=O)OC ZINC000131602103 591627992 /nfs/dbraw/zinc/62/79/92/591627992.db2.gz INFRQGOCAPODDT-UHFFFAOYSA-N 0 3 221.272 0.858 20 0 BCADHN Cn1nncc1CNC1CCC2(COC2)CC1 ZINC000883389883 591641198 /nfs/dbraw/zinc/64/11/98/591641198.db2.gz AZKFDGYGKFFOKY-UHFFFAOYSA-N 0 3 236.319 0.864 20 0 BCADHN FC(F)[C@@H]1CNCCN1CCc1cn[nH]c1 ZINC000883428105 591659832 /nfs/dbraw/zinc/65/98/32/591659832.db2.gz LWLBRPGLKSEQRH-VIFPVBQESA-N 0 3 230.262 0.491 20 0 BCADHN C[C@H]1CN(C(=O)[C@H](N)c2ccccc2)C[C@H](C)N1 ZINC000131856885 591671313 /nfs/dbraw/zinc/67/13/13/591671313.db2.gz ZHASAPYCVOCJDP-GMXVVIOVSA-N 0 3 247.342 0.895 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000131860427 591672618 /nfs/dbraw/zinc/67/26/18/591672618.db2.gz XVXNZRRLRBIHKC-LPEHRKFASA-N 0 3 213.325 0.179 20 0 BCADHN CC(C)C[C@H](O)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000132135046 591688764 /nfs/dbraw/zinc/68/87/64/591688764.db2.gz BNVVYJKIZZVLEO-MNOVXSKESA-N 0 3 249.376 0.560 20 0 BCADHN CO[C@@H](C)[C@H](C)NCCS(C)(=O)=O ZINC000132992686 591754821 /nfs/dbraw/zinc/75/48/21/591754821.db2.gz DFJDCGZLHNLVPC-YUMQZZPRSA-N 0 3 209.311 0.044 20 0 BCADHN C[C@@H](CCO)NC[C@@H](O)C(F)(F)F ZINC000133117531 591766781 /nfs/dbraw/zinc/76/67/81/591766781.db2.gz KJNRQWIRXNOFHW-NTSWFWBYSA-N 0 3 201.188 0.270 20 0 BCADHN O=C(c1cncc2[nH]ccc21)N1CCCNCC1 ZINC000884009456 591796586 /nfs/dbraw/zinc/79/65/86/591796586.db2.gz WVRXSNMXBIYTMU-UHFFFAOYSA-N 0 3 244.298 0.998 20 0 BCADHN CO[C@@]1(C(=O)N2CCCNCC2)CCSC1 ZINC000884009761 591797812 /nfs/dbraw/zinc/79/78/12/591797812.db2.gz HAGIVZYKZCZSST-NSHDSACASA-N 0 3 244.360 0.330 20 0 BCADHN CC(=O)c1cncc(C(=O)N[C@H](CN)C2CC2)c1 ZINC000884037239 591818574 /nfs/dbraw/zinc/81/85/74/591818574.db2.gz TUEXLEGLOLAJAC-GFCCVEGCSA-N 0 3 247.298 0.751 20 0 BCADHN CO[C@@H](CN)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000884045037 591824597 /nfs/dbraw/zinc/82/45/97/591824597.db2.gz FLJSFVZAYHZQSF-BBBLOLIVSA-N 0 3 214.309 0.750 20 0 BCADHN CO[C@@H](CN)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000884045202 591824770 /nfs/dbraw/zinc/82/47/70/591824770.db2.gz LUXPZHOHIFJOLW-GUBZILKMSA-N 0 3 214.309 0.465 20 0 BCADHN CCCNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884047747 591826045 /nfs/dbraw/zinc/82/60/45/591826045.db2.gz JPUIYKZGUAUATD-UHFFFAOYSA-N 0 3 248.330 0.631 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1n[nH]c2ccccc21 ZINC000884048499 591827627 /nfs/dbraw/zinc/82/76/27/591827627.db2.gz MVEBZOWDOODSOI-SECBINFHSA-N 0 3 248.286 0.865 20 0 BCADHN CCn1nccc1NC(=O)[C@H](N)CC1CC1 ZINC000884055798 591830311 /nfs/dbraw/zinc/83/03/11/591830311.db2.gz ZTFUGOLBXHUEPF-SECBINFHSA-N 0 3 222.292 0.969 20 0 BCADHN CCCNC(=O)CNC(=O)[C@H](CC(C)C)NC ZINC000884058614 591833751 /nfs/dbraw/zinc/83/37/51/591833751.db2.gz POIIIFNQEVMKNJ-JTQLQIEISA-N 0 3 243.351 0.263 20 0 BCADHN CN[C@@H](CC(C)C)C(=O)NCC(=O)NC(C)C ZINC000884060172 591834658 /nfs/dbraw/zinc/83/46/58/591834658.db2.gz QUXHEKFIDPNVOX-JTQLQIEISA-N 0 3 243.351 0.261 20 0 BCADHN COCC[C@H](N)C(=O)Nn1cnc2ccccc21 ZINC000884060627 591836255 /nfs/dbraw/zinc/83/62/55/591836255.db2.gz FUWCLMLXPZRGCA-VIFPVBQESA-N 0 3 248.286 0.470 20 0 BCADHN CC(C(=O)NCCC1CCC1)S(C)(=O)=O ZINC000133694203 591848757 /nfs/dbraw/zinc/84/87/57/591848757.db2.gz NGBYTPHCYMANPQ-MRVPVSSYSA-N 0 3 233.333 0.726 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCc2c1cccc2C ZINC000884112534 591853526 /nfs/dbraw/zinc/85/35/26/591853526.db2.gz PAERCLNUNOAVQJ-LBPRGKRZSA-N 0 3 234.299 0.858 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCC(=O)OCC1CC1 ZINC000884120218 591854139 /nfs/dbraw/zinc/85/41/39/591854139.db2.gz GVTCUSRHYCXKMW-JTQLQIEISA-N 0 3 240.303 0.183 20 0 BCADHN CC[C@](C)(NC(=O)[C@H](N)CC1CC1)C(=O)OC ZINC000884116431 591854347 /nfs/dbraw/zinc/85/43/47/591854347.db2.gz UZZAMVJOWSBJOK-SKDRFNHKSA-N 0 3 242.319 0.572 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@H](N)CC1CC1 ZINC000884129241 591857585 /nfs/dbraw/zinc/85/75/85/591857585.db2.gz BFPUJOFDEAQVQQ-SNVBAGLBSA-N 0 3 242.319 0.573 20 0 BCADHN CCc1cc(CNC(=O)[C@H](N)CC2CC2)[nH]n1 ZINC000884134234 591858773 /nfs/dbraw/zinc/85/87/73/591858773.db2.gz AFSMBMDDTBQTLP-LLVKDONJSA-N 0 3 236.319 0.716 20 0 BCADHN CCc1cc(CNC(=O)[C@H](N)CC2CC2)n[nH]1 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/nfs/dbraw/zinc/88/51/40/591885140.db2.gz SLUMENNSDBDSNQ-UHFFFAOYSA-N 0 3 229.320 0.988 20 0 BCADHN CC[C@@](C)(CC(=O)OC)NCC(=O)NC(C)C ZINC000134158347 591893694 /nfs/dbraw/zinc/89/36/94/591893694.db2.gz AYHDTOOWDWRSAD-LBPRGKRZSA-N 0 3 244.335 0.832 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000884298952 591898322 /nfs/dbraw/zinc/89/83/22/591898322.db2.gz ICLXMIUKNUNTJO-CIUDSAMLSA-N 0 3 248.273 0.525 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000884307850 591900355 /nfs/dbraw/zinc/90/03/55/591900355.db2.gz WTMVNHPDKYSUGB-VWYCJHECSA-N 0 3 228.336 0.997 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1ccc(C)[nH]c1=O ZINC000884311743 591901039 /nfs/dbraw/zinc/90/10/39/591901039.db2.gz KQWGXJYJWZVIMM-MRVPVSSYSA-N 0 3 239.275 0.398 20 0 BCADHN CN(CCc1cnccn1)C(=O)[C@@H](N)CC1CC1 ZINC000884320730 591903475 /nfs/dbraw/zinc/90/34/75/591903475.db2.gz XBVHVUIGSOUPJU-LBPRGKRZSA-N 0 3 248.330 0.605 20 0 BCADHN COCC[C@@H](N)C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000884369302 591918087 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591925946 /nfs/dbraw/zinc/92/59/46/591925946.db2.gz NDWDWCKQVHOQHI-BIMULSAOSA-N 0 3 248.326 0.805 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)[C@H](N)CC2CC2)C1 ZINC000884413624 591927628 /nfs/dbraw/zinc/92/76/28/591927628.db2.gz YDCGOGGIRUJQMS-KXUCPTDWSA-N 0 3 240.303 0.182 20 0 BCADHN COCC[C@@H](N)C(=O)NCCCc1ccco1 ZINC000884416868 591927760 /nfs/dbraw/zinc/92/77/60/591927760.db2.gz PQWDDKIOTUVYFZ-LLVKDONJSA-N 0 3 240.303 0.692 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1CCc2nccnc2C1 ZINC000884416440 591928246 /nfs/dbraw/zinc/92/82/46/591928246.db2.gz BOLNCTKRXURHGS-SNVBAGLBSA-N 0 3 246.314 0.489 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC(=O)[C@@H](N)CC2CC2)C1 ZINC000884419664 591928831 /nfs/dbraw/zinc/92/88/31/591928831.db2.gz YDCGOGGIRUJQMS-GUBZILKMSA-N 0 3 240.303 0.182 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC(=O)[C@H](N)CC2CC2)C1 ZINC000884419665 591928845 /nfs/dbraw/zinc/92/88/45/591928845.db2.gz YDCGOGGIRUJQMS-OPRDCNLKSA-N 0 3 240.303 0.182 20 0 BCADHN COCC[C@H](N)C(=O)N(C)C[C@H]1CC1(C)C ZINC000884421301 591930211 /nfs/dbraw/zinc/93/02/11/591930211.db2.gz QYOINTUMZPKXFG-ZJUUUORDSA-N 0 3 228.336 0.855 20 0 BCADHN CC(C)[C@@H]1CNCCN1C(=O)[C@@H](N)CC1CC1 ZINC000884430537 591931634 /nfs/dbraw/zinc/93/16/34/591931634.db2.gz SRJJBBZUIGSKNF-RYUDHWBXSA-N 0 3 239.363 0.570 20 0 BCADHN CCn1nc(C)cc1NC(=O)[C@@H](N)CCOC ZINC000884440993 591934975 /nfs/dbraw/zinc/93/49/75/591934975.db2.gz WZFGKKFGWGOKMC-VIFPVBQESA-N 0 3 240.307 0.514 20 0 BCADHN COCC[C@@H](N)C(=O)NCC(C)(C)F ZINC000884449602 591937432 /nfs/dbraw/zinc/93/74/32/591937432.db2.gz JFVCNYQMYDHMEK-SSDOTTSWSA-N 0 3 206.261 0.215 20 0 BCADHN CC(C)(F)CNC(=O)[C@H](N)CC1CC1 ZINC000884450174 591938956 /nfs/dbraw/zinc/93/89/56/591938956.db2.gz ZYJQEAOQTXHGEG-MRVPVSSYSA-N 0 3 202.273 0.978 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000884461248 591941154 /nfs/dbraw/zinc/94/11/54/591941154.db2.gz ZIKJVITWXZJZPR-QXEWZRGKSA-N 0 3 212.293 0.409 20 0 BCADHN COCC[C@H](N)C(=O)Nc1cc(C)cc(N)c1 ZINC000884461940 591941677 /nfs/dbraw/zinc/94/16/77/591941677.db2.gz RIKQGIVQPJHXGQ-NSHDSACASA-N 0 3 237.303 0.880 20 0 BCADHN COCCN(CCSC)CCC(=O)OC ZINC000134622787 591942266 /nfs/dbraw/zinc/94/22/66/591942266.db2.gz IDRCINVGSLBMNU-UHFFFAOYSA-N 0 3 235.349 0.861 20 0 BCADHN CC1(C)C[C@@H](O)CN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884472455 591945176 /nfs/dbraw/zinc/94/51/76/591945176.db2.gz ZUXQFFLPOHCIFW-MNOVXSKESA-N 0 3 240.347 0.733 20 0 BCADHN Cn1cc(CNCCC2(C)OCCO2)cn1 ZINC000135002817 591971261 /nfs/dbraw/zinc/97/12/61/591971261.db2.gz ARJIQQVTNVZXSS-UHFFFAOYSA-N 0 3 225.292 0.663 20 0 BCADHN COCC(C)(C)NCCS(C)(=O)=O ZINC000135058032 591980046 /nfs/dbraw/zinc/98/00/46/591980046.db2.gz IFCHBSFPHOUVJQ-UHFFFAOYSA-N 0 3 209.311 0.046 20 0 BCADHN COC(=O)/C(C)=C/CN(C)CC[C@H](C)O ZINC000135355713 592008903 /nfs/dbraw/zinc/00/89/03/592008903.db2.gz XYGLFNXWWUXGHE-CYNRKNSPSA-N 0 3 215.293 0.808 20 0 BCADHN OCC(CO)NCc1cncc2ccccc21 ZINC000135380366 592011219 /nfs/dbraw/zinc/01/12/19/592011219.db2.gz FTNKKVCWEGZUQN-UHFFFAOYSA-N 0 3 232.283 0.678 20 0 BCADHN C[N@H+](CCO)CC[N-]c1nnc(C(F)F)o1 ZINC000884825279 592023815 /nfs/dbraw/zinc/02/38/15/592023815.db2.gz OJUDVXNDJQKLJZ-UHFFFAOYSA-N 0 3 236.222 0.343 20 0 BCADHN C[N@@H+](CCO)CC[N-]c1nnc(C(F)F)o1 ZINC000884825279 592023818 /nfs/dbraw/zinc/02/38/18/592023818.db2.gz OJUDVXNDJQKLJZ-UHFFFAOYSA-N 0 3 236.222 0.343 20 0 BCADHN CN(CCO)CCNc1nnc(C(F)F)o1 ZINC000884825279 592023821 /nfs/dbraw/zinc/02/38/21/592023821.db2.gz OJUDVXNDJQKLJZ-UHFFFAOYSA-N 0 3 236.222 0.343 20 0 BCADHN CN(CCO)CCNc1ncc(C(F)F)cn1 ZINC000884825424 592024031 /nfs/dbraw/zinc/02/40/31/592024031.db2.gz VYVCQPQUPQNCLH-UHFFFAOYSA-N 0 3 246.261 0.750 20 0 BCADHN COCCOC(=O)NC[C@@H](C)N1CCCC1 ZINC000884936204 592030136 /nfs/dbraw/zinc/03/01/36/592030136.db2.gz DMXUDXGUBDQSRF-SNVBAGLBSA-N 0 3 230.308 0.843 20 0 BCADHN COCCOC(=O)NC[C@@H]1CCCN(C)C1 ZINC000885004177 592033453 /nfs/dbraw/zinc/03/34/53/592033453.db2.gz SPGCPYDEAVKJQY-JTQLQIEISA-N 0 3 230.308 0.701 20 0 BCADHN COCCOC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000885031433 592034281 /nfs/dbraw/zinc/03/42/81/592034281.db2.gz KBCXPTFVBKDYJX-SNVBAGLBSA-N 0 3 230.308 0.795 20 0 BCADHN COCCOC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000885031432 592035202 /nfs/dbraw/zinc/03/52/02/592035202.db2.gz KBCXPTFVBKDYJX-JTQLQIEISA-N 0 3 230.308 0.795 20 0 BCADHN COCCOC(=O)NCCN1CC[C@H](C)C1 ZINC000885038630 592036665 /nfs/dbraw/zinc/03/66/65/592036665.db2.gz NBISDFCSQXEFAE-JTQLQIEISA-N 0 3 230.308 0.701 20 0 BCADHN COCCOC(=O)N1CCC[C@H]1CN(C)C ZINC000885058810 592042237 /nfs/dbraw/zinc/04/22/37/592042237.db2.gz FTRBLCODGGVVMC-JTQLQIEISA-N 0 3 230.308 0.795 20 0 BCADHN C[C@@H]1[C@H](C(=O)N2CCCC(=O)[C@H]2C)CCN1C ZINC000885057589 592042341 /nfs/dbraw/zinc/04/23/41/592042341.db2.gz BTUIJFFHVGCQHT-GMTAPVOTSA-N 0 3 238.331 0.907 20 0 BCADHN C[C@H]1C(=O)CCCN1C(=O)C1(CN(C)C)CC1 ZINC000885063843 592043481 /nfs/dbraw/zinc/04/34/81/592043481.db2.gz SBEHDADAPSDTLZ-JTQLQIEISA-N 0 3 238.331 0.908 20 0 BCADHN COCCOC(=O)NCCN1CCC[C@@H]1C ZINC000885126184 592054042 /nfs/dbraw/zinc/05/40/42/592054042.db2.gz YRFGKEDKHUJDDT-JTQLQIEISA-N 0 3 230.308 0.843 20 0 BCADHN COCCOC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000885350623 592072102 /nfs/dbraw/zinc/07/21/02/592072102.db2.gz SCLIUCGIUUBKCV-MNOVXSKESA-N 0 3 242.319 0.938 20 0 BCADHN CCN(CC)CC(=O)NCCO[C@@H]1CCOC1 ZINC000885731440 592095620 /nfs/dbraw/zinc/09/56/20/592095620.db2.gz QLUBUYWSDRHKAB-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN CC(C)N(CC(N)=O)C[C@H]1C[C@]12CCOC2 ZINC000885940587 592111760 /nfs/dbraw/zinc/11/17/60/592111760.db2.gz MKXJDDPQSJXQIQ-PWSUYJOCSA-N 0 3 226.320 0.609 20 0 BCADHN CN(CC(=O)NC1CC1)C[C@H]1C[C@]12CCOC2 ZINC000885946784 592112807 /nfs/dbraw/zinc/11/28/07/592112807.db2.gz QQZCXVQZDDFAQO-MFKMUULPSA-N 0 3 238.331 0.623 20 0 BCADHN C[C@](O)(CN1CCC[C@H](O)C1)C(F)F ZINC000885944225 592113324 /nfs/dbraw/zinc/11/33/24/592113324.db2.gz LYNAYCSIDZKHGG-CBAPKCEASA-N 0 3 209.236 0.459 20 0 BCADHN CNC(=O)CN(C)C[C@H]1C[C@@]12CCOC2 ZINC000885951880 592113564 /nfs/dbraw/zinc/11/35/64/592113564.db2.gz QRTJZAPJMOEJFT-MWLCHTKSSA-N 0 3 212.293 0.091 20 0 BCADHN CNC(=O)CN(C)C[C@H]1C[C@]12CCOC2 ZINC000885951879 592114044 /nfs/dbraw/zinc/11/40/44/592114044.db2.gz QRTJZAPJMOEJFT-KOLCDFICSA-N 0 3 212.293 0.091 20 0 BCADHN C[C@@](O)(CN1CCC(CO)CC1)C(F)F ZINC000885954279 592114881 /nfs/dbraw/zinc/11/48/81/592114881.db2.gz SPGCNDCEHLEDNN-SNVBAGLBSA-N 0 3 223.263 0.707 20 0 BCADHN CCN(CC(=O)N(C)C)C[C@H]1C[C@@]12CCOC2 ZINC000885953772 592115001 /nfs/dbraw/zinc/11/50/01/592115001.db2.gz FSIQZRAVPMPQMA-DGCLKSJQSA-N 0 3 240.347 0.823 20 0 BCADHN Cc1n[nH]c(CN[C@@H]2CCC(=O)N(C)C2)c1C ZINC000885994646 592124506 /nfs/dbraw/zinc/12/45/06/592124506.db2.gz QIZSZKYAZSZSLU-SNVBAGLBSA-N 0 3 236.319 0.737 20 0 BCADHN Cc1[nH]nc(CN[C@@H]2CCC(=O)N(C)C2)c1C ZINC000885994646 592124508 /nfs/dbraw/zinc/12/45/08/592124508.db2.gz QIZSZKYAZSZSLU-SNVBAGLBSA-N 0 3 236.319 0.737 20 0 BCADHN CN(CCn1cccn1)C[C@](C)(O)C(F)F ZINC000886006801 592129470 /nfs/dbraw/zinc/12/94/70/592129470.db2.gz VQBAXOVJAGXZPG-JTQLQIEISA-N 0 3 233.262 0.831 20 0 BCADHN Cc1n[nH]c(CN[C@@H](C)CC(N)=O)c1C ZINC000886024985 592134833 /nfs/dbraw/zinc/13/48/33/592134833.db2.gz BGFOHSSEXMVEER-LURJTMIESA-N 0 3 210.281 0.380 20 0 BCADHN Cc1[nH]nc(CN[C@@H](C)CC(N)=O)c1C ZINC000886024985 592134835 /nfs/dbraw/zinc/13/48/35/592134835.db2.gz BGFOHSSEXMVEER-LURJTMIESA-N 0 3 210.281 0.380 20 0 BCADHN Cc1n[nH]c(CN[C@@H](C)C[S@@](C)=O)c1C ZINC000886061967 592142176 /nfs/dbraw/zinc/14/21/76/592142176.db2.gz CVNMCEBZXPKXAN-NZFNHWASSA-N 0 3 229.349 0.883 20 0 BCADHN Cc1[nH]nc(CN[C@@H](C)C[S@@](C)=O)c1C ZINC000886061967 592142178 /nfs/dbraw/zinc/14/21/78/592142178.db2.gz CVNMCEBZXPKXAN-NZFNHWASSA-N 0 3 229.349 0.883 20 0 BCADHN OCC[C@@H]1COCCN1C[C@H]1C[C@@]12CCOC2 ZINC000886093592 592147862 /nfs/dbraw/zinc/14/78/62/592147862.db2.gz DEGZWBHJERFZNF-JHJVBQTASA-N 0 3 241.331 0.496 20 0 BCADHN COC(CN(C)C[C@@H]1CCOC1)OC ZINC000136779023 592150101 /nfs/dbraw/zinc/15/01/01/592150101.db2.gz CFXKAUJOUDTSJU-VIFPVBQESA-N 0 3 203.282 0.574 20 0 BCADHN OC[C@H](O)CNC/C=C\c1cccc(F)c1 ZINC000886100605 592154717 /nfs/dbraw/zinc/15/47/17/592154717.db2.gz SKLURACBTYTRGQ-DTRQGZQOSA-N 0 3 225.263 0.782 20 0 BCADHN Cc1[nH]nc(CN[C@@H]2C(=O)NCC[C@H]2C)c1C ZINC000886104795 592155632 /nfs/dbraw/zinc/15/56/32/592155632.db2.gz KTYWSFNFWULRRG-HQJQHLMTSA-N 0 3 236.319 0.641 20 0 BCADHN CN(C[C@@](C)(O)C(F)F)C1CC(O)C1 ZINC000886134259 592161008 /nfs/dbraw/zinc/16/10/08/592161008.db2.gz NKTUGFSIVXTSEQ-QXUHLLMWSA-N 0 3 209.236 0.458 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1C[C@H]1CC[C@H](C2CC2)O1 ZINC000886138220 592161442 /nfs/dbraw/zinc/16/14/42/592161442.db2.gz DVWQLVRNSZRYPN-UMSGYPCISA-N 0 3 241.331 0.372 20 0 BCADHN C[C@](O)(CN1C[C@H]2C[C@@]2(CO)C1)C(F)F ZINC000886160146 592165521 /nfs/dbraw/zinc/16/55/21/592165521.db2.gz LFHNNBQIAHHRRS-JEZHCXPESA-N 0 3 221.247 0.317 20 0 BCADHN CON(C)CCNCc1[nH]nc(C)c1C ZINC000886162125 592166286 /nfs/dbraw/zinc/16/62/86/592166286.db2.gz GTSJUNLBQOZZKT-UHFFFAOYSA-N 0 3 212.297 0.609 20 0 BCADHN CON(C)CCNCc1n[nH]c(C)c1C ZINC000886162125 592166288 /nfs/dbraw/zinc/16/62/88/592166288.db2.gz GTSJUNLBQOZZKT-UHFFFAOYSA-N 0 3 212.297 0.609 20 0 BCADHN C[C@@H]1CN(C[C@@H]2C[C@@]23CCOC3)C[C@@H](CO)O1 ZINC000886164575 592166444 /nfs/dbraw/zinc/16/64/44/592166444.db2.gz ONGWGTLBWZZFQH-MROQNXINSA-N 0 3 241.331 0.495 20 0 BCADHN CN(C[C@](C)(O)C(F)F)CC1(CO)CC1 ZINC000886160681 592166901 /nfs/dbraw/zinc/16/69/01/592166901.db2.gz ZTDOUSSETBYTHE-VIFPVBQESA-N 0 3 223.263 0.707 20 0 BCADHN C([C@@H]1C[C@@]12CCOC2)N1CCc2n[nH]nc2C1 ZINC000886165000 592168079 /nfs/dbraw/zinc/16/80/79/592168079.db2.gz ZFWSGNFJJOEURW-JOYOIKCWSA-N 0 3 234.303 0.589 20 0 BCADHN Cc1n[nH]c(CNC[C@H]2C[C@H](O)C2)c1C ZINC000886184049 592171982 /nfs/dbraw/zinc/17/19/82/592171982.db2.gz STZDFSKUMWOTQU-MGCOHNPYSA-N 0 3 209.293 0.887 20 0 BCADHN CCN(C[C@@H]1C[C@]12CCOC2)[C@H]1CCNC1=O ZINC000886187903 592172775 /nfs/dbraw/zinc/17/27/75/592172775.db2.gz FEFXEYUBCCKMBV-GVXVVHGQSA-N 0 3 238.331 0.623 20 0 BCADHN OC[C@]1(F)CCN(C[C@H]2C[C@@]23CCOC3)C1 ZINC000886194141 592173730 /nfs/dbraw/zinc/17/37/30/592173730.db2.gz JFAYJSJZMYAWKQ-UTUOFQBUSA-N 0 3 229.295 0.819 20 0 BCADHN CO[C@H](C)CN(C)C[C@@](C)(O)C(F)F ZINC000886204515 592176243 /nfs/dbraw/zinc/17/62/43/592176243.db2.gz ILLKPDKYPPUOKW-VXNVDRBHSA-N 0 3 211.252 0.969 20 0 BCADHN Cc1cn[nH]c1CN[C@@](C)(C(N)=O)C(C)C ZINC000886203408 592175168 /nfs/dbraw/zinc/17/51/68/592175168.db2.gz USODKWWDWYPLAV-LLVKDONJSA-N 0 3 224.308 0.708 20 0 BCADHN CN(C[C@@H]1C[C@]12CCOC2)C(C)(C)C(N)=O ZINC000886220512 592179916 /nfs/dbraw/zinc/17/99/16/592179916.db2.gz JLXPYUMPEOTIPT-CABZTGNLSA-N 0 3 226.320 0.609 20 0 BCADHN NC(=O)[C@H]1CCCN1C[C@@H]1C[C@@]12CCOC2 ZINC000886234133 592182062 /nfs/dbraw/zinc/18/20/62/592182062.db2.gz GUHGHCYVRQODFM-HOSYDEDBSA-N 0 3 224.304 0.363 20 0 BCADHN COc1ccccc1CN[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886240942 592182982 /nfs/dbraw/zinc/18/29/82/592182982.db2.gz KATTYXPTVMDGEZ-CNDDSTCGSA-N 0 3 237.299 0.669 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@@](C)(O)C(F)F ZINC000886243240 592183457 /nfs/dbraw/zinc/18/34/57/592183457.db2.gz SKIJFYJRQVMUEM-LKEWCRSYSA-N 0 3 225.235 0.006 20 0 BCADHN Cc1ccc([O-])c(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000886255913 592188015 /nfs/dbraw/zinc/18/80/15/592188015.db2.gz PKBVANWKRGPCFA-ZSPDNNCOSA-N 0 3 238.287 0.069 20 0 BCADHN Cc1ccc(O)c(CN[C@H]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000886255913 592188019 /nfs/dbraw/zinc/18/80/19/592188019.db2.gz PKBVANWKRGPCFA-ZSPDNNCOSA-N 0 3 238.287 0.069 20 0 BCADHN O[C@@H]1C[C@H](NCc2ccccc2F)C[C@@H]1O ZINC000886258001 592189312 /nfs/dbraw/zinc/18/93/12/592189312.db2.gz RQFKGVQBLAQYLD-YHPBZONMSA-N 0 3 225.263 0.800 20 0 BCADHN COc1ccc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886258193 592189331 /nfs/dbraw/zinc/18/93/31/592189331.db2.gz XWFKYRDRWYAPKN-LMKPVCQUSA-N 0 3 237.299 0.669 20 0 BCADHN C[C@@H]1CN(C[C@](C)(O)C(F)F)C[C@@H](C)C1O ZINC000886278467 592197239 /nfs/dbraw/zinc/19/72/39/592197239.db2.gz AHDGUZIRJRKXMO-XLDPMVHQSA-N 0 3 237.290 0.951 20 0 BCADHN CN1CCN(C[C@@H]2C[C@]23CCOC3)CCC1=O ZINC000886279224 592197452 /nfs/dbraw/zinc/19/74/52/592197452.db2.gz SWWWUKKRBSRRPG-AAEUAGOBSA-N 0 3 238.331 0.577 20 0 BCADHN C[C@@H]1CN(C[C@](C)(O)C(F)F)C[C@H](C)[C@H]1O ZINC000886278464 592197675 /nfs/dbraw/zinc/19/76/75/592197675.db2.gz AHDGUZIRJRKXMO-SJQPAMGKSA-N 0 3 237.290 0.951 20 0 BCADHN CCCN(C)CC(=O)NCc1cncc(O)c1 ZINC000886279867 592198552 /nfs/dbraw/zinc/19/85/52/592198552.db2.gz MXGGZKWYACVTMH-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN CCC[N@H+](C)CC(=O)NCc1cncc([O-])c1 ZINC000886279867 592198553 /nfs/dbraw/zinc/19/85/53/592198553.db2.gz MXGGZKWYACVTMH-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN CCC[N@@H+](C)CC(=O)NCc1cncc([O-])c1 ZINC000886279867 592198554 /nfs/dbraw/zinc/19/85/54/592198554.db2.gz MXGGZKWYACVTMH-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN CN(C[C@@](C)(O)C(F)F)CC1(C)COC1 ZINC000886297461 592202943 /nfs/dbraw/zinc/20/29/43/592202943.db2.gz RYZSMJICQBYFTM-SNVBAGLBSA-N 0 3 223.263 0.971 20 0 BCADHN CN(C[C@H]1C[C@@H](O)C1)C[C@@](C)(O)C(F)F ZINC000886301088 592203071 /nfs/dbraw/zinc/20/30/71/592203071.db2.gz WDDKXRVGCQPJLY-KHQFGBGNSA-N 0 3 223.263 0.705 20 0 BCADHN CCNS(=O)(=O)CCNC[C@@H]1CCC=CO1 ZINC000219391846 592223538 /nfs/dbraw/zinc/22/35/38/592223538.db2.gz VQNPJJYWTVMQRI-JTQLQIEISA-N 0 3 248.348 0.208 20 0 BCADHN Cc1ccccc1[C@@H](CO)N(C)CCO ZINC000886433662 592225451 /nfs/dbraw/zinc/22/54/51/592225451.db2.gz PZJZWKULYQHTGP-GFCCVEGCSA-N 0 3 209.289 0.953 20 0 BCADHN COCC[C@@H](C)N1CCCn2nncc2C1 ZINC000886458042 592226751 /nfs/dbraw/zinc/22/67/51/592226751.db2.gz ZHFHCSHHDZKEDG-SNVBAGLBSA-N 0 3 224.308 0.909 20 0 BCADHN C[C@H]1OCC[C@@H]1CN1CCCn2nncc2C1 ZINC000886468518 592229552 /nfs/dbraw/zinc/22/95/52/592229552.db2.gz DXXMPZBWUZXHHL-GHMZBOCLSA-N 0 3 236.319 0.909 20 0 BCADHN COC(=O)c1cncc([C@@H](C)NC[C@@H](C)O)c1 ZINC000886487678 592235169 /nfs/dbraw/zinc/23/51/69/592235169.db2.gz NWVRGCDKBAEGBR-RKDXNWHRSA-N 0 3 238.287 0.900 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886491888 592237078 /nfs/dbraw/zinc/23/70/78/592237078.db2.gz VKWYHGUCCGSQSU-LPEHRKFASA-N 0 3 242.319 0.442 20 0 BCADHN COC(=O)[C@@H]1CC[C@H](NCC(=O)NC(C)C)C1 ZINC000886493315 592237287 /nfs/dbraw/zinc/23/72/87/592237287.db2.gz DMZATHPQCGCZQC-ZJUUUORDSA-N 0 3 242.319 0.442 20 0 BCADHN O=C(CN1C[C@@H]2CSC[C@@H]2C1)N1CCC1 ZINC000886556867 592259949 /nfs/dbraw/zinc/25/99/49/592259949.db2.gz LOQFJCCQXCKMCQ-AOOOYVTPSA-N 0 3 226.345 0.514 20 0 BCADHN O=C(CN1C[C@@H]2CSC[C@@H]2C1)N1CCCC1 ZINC000886556742 592260078 /nfs/dbraw/zinc/26/00/78/592260078.db2.gz JJCUAQXRXQZZRL-PHIMTYICSA-N 0 3 240.372 0.904 20 0 BCADHN Cc1nc(CN2C[C@@H]3CSC[C@@H]3C2)n[nH]1 ZINC000886570442 592263725 /nfs/dbraw/zinc/26/37/25/592263725.db2.gz KTGWWSXJWLLAFP-DTORHVGOSA-N 0 3 224.333 0.908 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886594305 592270877 /nfs/dbraw/zinc/27/08/77/592270877.db2.gz JQFKSXIEHDPXBT-NXEZZACHSA-N 0 3 242.319 0.396 20 0 BCADHN COC(=O)[C@@H]1CC[C@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC000886599343 592271994 /nfs/dbraw/zinc/27/19/94/592271994.db2.gz WXZLRLHKCPXOBL-AEJSXWLSSA-N 0 3 242.319 0.394 20 0 BCADHN NC(=O)[C@H]1C[C@H](N[C@H]2CCc3cccnc32)C1 ZINC000886641488 592287523 /nfs/dbraw/zinc/28/75/23/592287523.db2.gz KVKNXEHTHRGCSO-DCAQKATOSA-N 0 3 231.299 0.922 20 0 BCADHN O[C@@H]1CCN(CCN[C@H]2CCc3cccnc32)C1 ZINC000886643030 592287714 /nfs/dbraw/zinc/28/77/14/592287714.db2.gz JBKLEPAGTVVKMD-OLZOCXBDSA-N 0 3 247.342 0.725 20 0 BCADHN Cc1nc(C)c(C(=O)NCCN(C)C)o1 ZINC000074675492 592308051 /nfs/dbraw/zinc/30/80/51/592308051.db2.gz LKZUHBCSHJVUIW-UHFFFAOYSA-N 0 3 211.265 0.583 20 0 BCADHN CC(C)=CCN1CCC(O)(COCCO)CC1 ZINC000886739219 592313972 /nfs/dbraw/zinc/31/39/72/592313972.db2.gz SMPPFZMQUJTJQX-UHFFFAOYSA-N 0 3 243.347 0.788 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NCCN1CCNC1=O ZINC000886743303 592314655 /nfs/dbraw/zinc/31/46/55/592314655.db2.gz ZXCOERLWJNNWJH-QMMMGPOBSA-N 0 3 237.307 0.394 20 0 BCADHN C[S@](=O)CCN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886816677 592340200 /nfs/dbraw/zinc/34/02/00/592340200.db2.gz XHJLYLYOJNIZBR-PGUXBMHVSA-N 0 3 231.361 0.866 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@H]([C@H]2CCCO2)C1 ZINC000886821925 592345164 /nfs/dbraw/zinc/34/51/64/592345164.db2.gz JTODAOMSAHHHPB-SDDRHHMPSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886823172 592346350 /nfs/dbraw/zinc/34/63/50/592346350.db2.gz ZVVJBSRVZSSCEQ-BBBLOLIVSA-N 0 3 212.293 0.361 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886823175 592346938 /nfs/dbraw/zinc/34/69/38/592346938.db2.gz ZVVJBSRVZSSCEQ-UTLUCORTSA-N 0 3 212.293 0.361 20 0 BCADHN CCNC(=O)CN1CC[C@H]([C@H]2CCCO2)C1 ZINC000886837419 592358034 /nfs/dbraw/zinc/35/80/34/592358034.db2.gz GXYYNYWLLDXXJD-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CCNC(=O)CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886837416 592358293 /nfs/dbraw/zinc/35/82/93/592358293.db2.gz GXYYNYWLLDXXJD-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN O=C(CN1CC[C@@H]([C@@H]2CCCO2)C1)NC1CC1 ZINC000886838055 592358470 /nfs/dbraw/zinc/35/84/70/592358470.db2.gz QTMCKOIGNQHMQQ-PWSUYJOCSA-N 0 3 238.331 0.766 20 0 BCADHN COC[C@H](CN1CC[C@H](NC(=O)OC)C1)OC ZINC000886850465 592365694 /nfs/dbraw/zinc/36/56/94/592365694.db2.gz GVGLIZYQWBGEQH-UWVGGRQHSA-N 0 3 246.307 0.078 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@H](O)CSC)C1 ZINC000886854326 592367142 /nfs/dbraw/zinc/36/71/42/592367142.db2.gz JQUXRTCZMIQYPM-IUCAKERBSA-N 0 3 248.348 0.141 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC000886861757 592372249 /nfs/dbraw/zinc/37/22/49/592372249.db2.gz KOBOUMZRXWENBH-QWRGUYRKSA-N 0 3 242.319 0.986 20 0 BCADHN CCN(CC)C(=O)CNC1CC(OC)C1 ZINC000220901704 592372339 /nfs/dbraw/zinc/37/23/39/592372339.db2.gz RIFDYUGWWDBBFH-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](CO)C1 ZINC000886893634 592389153 /nfs/dbraw/zinc/38/91/53/592389153.db2.gz DRRLGHWKTOBPBC-DDHJBXDOSA-N 0 3 240.347 0.746 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](CO)C1 ZINC000886896086 592390608 /nfs/dbraw/zinc/39/06/08/592390608.db2.gz XGCKKBFIAQGMMK-SRVKXCTJSA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@H](N[C@H](COC)[C@H]1CCCOC1)C(N)=O ZINC000886907988 592394976 /nfs/dbraw/zinc/39/49/76/592394976.db2.gz MLPCYFISULWDMW-GARJFASQSA-N 0 3 244.335 0.282 20 0 BCADHN C[C@H](NCC1(C2(O)CCC2)CCC1)C(N)=O ZINC000886974378 592403055 /nfs/dbraw/zinc/40/30/55/592403055.db2.gz XYCSKFHJJOPOLT-VIFPVBQESA-N 0 3 226.320 0.535 20 0 BCADHN CC[C@H](C)[C@H](NCCN1CCCC1=O)C(N)=O ZINC000887060886 592433385 /nfs/dbraw/zinc/43/33/85/592433385.db2.gz BTOZOGPPRXSREL-ONGXEEELSA-N 0 3 241.335 0.098 20 0 BCADHN CNC(=O)C1(N[C@@H]2C=CCCC2)CCOCC1 ZINC000887086562 592437127 /nfs/dbraw/zinc/43/71/27/592437127.db2.gz SPAOYRUPMIYFDN-LLVKDONJSA-N 0 3 238.331 0.980 20 0 BCADHN CNC(=O)C1(NCCSC)CCOCC1 ZINC000887084793 592437546 /nfs/dbraw/zinc/43/75/46/592437546.db2.gz LQEOHCZSMZTTJP-UHFFFAOYSA-N 0 3 232.349 0.234 20 0 BCADHN CNC(=O)C1(NCCOC(C)C)CCOCC1 ZINC000887083213 592437653 /nfs/dbraw/zinc/43/76/53/592437653.db2.gz TXUJEBQBYCDUHG-UHFFFAOYSA-N 0 3 244.335 0.296 20 0 BCADHN CNC(=O)C1(NCC2=CCCC2)CCOCC1 ZINC000887091136 592439185 /nfs/dbraw/zinc/43/91/85/592439185.db2.gz ANWOTWFKDWWNOR-UHFFFAOYSA-N 0 3 238.331 0.982 20 0 BCADHN CNC(=O)CN1CCN(c2ccncc2)C[C@@H]1C ZINC000887131395 592449286 /nfs/dbraw/zinc/44/92/86/592449286.db2.gz WNMUCDJCQONYAV-NSHDSACASA-N 0 3 248.330 0.338 20 0 BCADHN CN(CCCF)C[C@H](O)CC1(O)CCC1 ZINC000887142440 592455957 /nfs/dbraw/zinc/45/59/57/592455957.db2.gz KBYRTPLIMAPJMP-SNVBAGLBSA-N 0 3 219.300 0.944 20 0 BCADHN CN(CCCF)CC(=O)NC1CCN(C)CC1 ZINC000887142759 592458354 /nfs/dbraw/zinc/45/83/54/592458354.db2.gz YTYNAQFVZXQALA-UHFFFAOYSA-N 0 3 245.342 0.488 20 0 BCADHN CN(CCCF)CCc1nnnn1C ZINC000887142545 592459976 /nfs/dbraw/zinc/45/99/76/592459976.db2.gz OWSKRAYFEMHNFW-UHFFFAOYSA-N 0 3 201.249 0.044 20 0 BCADHN CN(CCO)CCNC(=O)Nc1nccs1 ZINC000887166140 592464714 /nfs/dbraw/zinc/46/47/14/592464714.db2.gz UHUDIJLBAGCQDD-UHFFFAOYSA-N 0 3 244.320 0.189 20 0 BCADHN CN(C)CCc1cn(C[C@](C)(O)C(F)F)nn1 ZINC000887464503 592510658 /nfs/dbraw/zinc/51/06/58/592510658.db2.gz BQSKVYZPUJVFIR-JTQLQIEISA-N 0 3 248.277 0.398 20 0 BCADHN CC[C@@H](N)c1cn(C[C@@](C)(O)C(F)F)nn1 ZINC000887465379 592510676 /nfs/dbraw/zinc/51/06/76/592510676.db2.gz XCGIIZORAJIKLO-HZGVNTEJSA-N 0 3 234.250 0.704 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1CCO[C@@H](C)C1 ZINC000223067140 592515884 /nfs/dbraw/zinc/51/58/84/592515884.db2.gz ZJRGBDHWRAQTRY-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN COCC[C@H](N)C(=O)N[C@H]1C[C@H](OC)C1(C)C ZINC000300628440 592516506 /nfs/dbraw/zinc/51/65/06/592516506.db2.gz HUJXTCQULVGKGB-GUBZILKMSA-N 0 3 244.335 0.280 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@@H]1CCOC[C@H]1C ZINC000300866081 592523656 /nfs/dbraw/zinc/52/36/56/592523656.db2.gz OTUZWQZXCVYKJF-GHMZBOCLSA-N 0 3 249.376 0.824 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1CCOC[C@H]1C ZINC000300911808 592524420 /nfs/dbraw/zinc/52/44/20/592524420.db2.gz YBBRAPWZWPXBGG-NXEZZACHSA-N 0 3 235.349 0.436 20 0 BCADHN COCCOCCCNC(=O)[C@@H](N)CC1CC1 ZINC000302627240 592550454 /nfs/dbraw/zinc/55/04/54/592550454.db2.gz CEFNBQRWWPPGTH-NSHDSACASA-N 0 3 244.335 0.283 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C(=O)[C@H](N)CC1CC1 ZINC000302697872 592552654 /nfs/dbraw/zinc/55/26/54/592552654.db2.gz VAKGZGXJLYGJPG-WCBMZHEXSA-N 0 3 242.319 0.381 20 0 BCADHN CN1C[C@@H]2CN(C(=O)c3cncnc3)C[C@]2(C)C1 ZINC000887929025 592559911 /nfs/dbraw/zinc/55/99/11/592559911.db2.gz FVWWMYXKDLRYGK-YPMHNXCESA-N 0 3 246.314 0.500 20 0 BCADHN Cc1n[nH]nc1C(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000887928069 592560317 /nfs/dbraw/zinc/56/03/17/592560317.db2.gz UPTDLRAWRPFOKR-SKDRFNHKSA-N 0 3 249.318 0.137 20 0 BCADHN COC(=O)[C@@H]1CCN1C(=O)CN(C)C(C)C ZINC000888054517 592569548 /nfs/dbraw/zinc/56/95/48/592569548.db2.gz NMENIPPBNAXVMY-VIFPVBQESA-N 0 3 228.292 0.101 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H]1C(=O)OC ZINC000888054917 592569571 /nfs/dbraw/zinc/56/95/71/592569571.db2.gz VBVHERVXZRDXAJ-SECBINFHSA-N 0 3 228.292 0.102 20 0 BCADHN COC(=O)[C@H]1CCN1C(=O)[C@@H](C(C)C)N(C)C ZINC000888055209 592569587 /nfs/dbraw/zinc/56/95/87/592569587.db2.gz ARXAHJZIAHXTHQ-NXEZZACHSA-N 0 3 242.319 0.347 20 0 BCADHN C[C@@H](C(=O)N1CC[C@@H]1CO)N1CCCCCC1 ZINC000889140175 592584984 /nfs/dbraw/zinc/58/49/84/592584984.db2.gz KMKCRUPEVAJAHI-NWDGAFQWSA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@H]1CO)N(CC)CC ZINC000889141465 592585042 /nfs/dbraw/zinc/58/50/42/592585042.db2.gz ZEKDUUKSSSMNBV-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN CCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889782671 592653590 /nfs/dbraw/zinc/65/35/90/592653590.db2.gz UPVLLGYHOUVYHL-QWRGUYRKSA-N 0 3 226.320 0.454 20 0 BCADHN COC[C@H]1C[C@@H](NC(=O)N(C)CCN(C)C)C1 ZINC000889863902 592657280 /nfs/dbraw/zinc/65/72/80/592657280.db2.gz OOJQESWWGVTWJJ-PHIMTYICSA-N 0 3 243.351 0.614 20 0 BCADHN C/C=C\[C@H](O)C(=O)NCCN1CCC(C)(C)C1 ZINC000890068592 592675682 /nfs/dbraw/zinc/67/56/82/592675682.db2.gz XUIMEUFGFMTRJS-WYGGZMRJSA-N 0 3 240.347 0.772 20 0 BCADHN CC1(C)CCN(CCNC(=O)CCC(N)=O)C1 ZINC000890068627 592676000 /nfs/dbraw/zinc/67/60/00/592676000.db2.gz ZDMXPVVVXPZCQG-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN COC(=O)/C(C)=C/CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000123901883 592715543 /nfs/dbraw/zinc/71/55/43/592715543.db2.gz XMXBQEPVRNJCAC-ZKYAPIFESA-N 0 3 239.315 0.808 20 0 BCADHN COc1ncccc1Cn1cc([C@H](C)N)nn1 ZINC000124255027 592717515 /nfs/dbraw/zinc/71/75/15/592717515.db2.gz UXQYKKRETRBIJC-QMMMGPOBSA-N 0 3 233.275 0.750 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H](N)CCOC)CCS1 ZINC000133010907 592740009 /nfs/dbraw/zinc/74/00/09/592740009.db2.gz IMJFGPCPMXJLIQ-UWVGGRQHSA-N 0 3 246.376 0.704 20 0 BCADHN CC(C)(O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000095205336 598711703 /nfs/dbraw/zinc/71/17/03/598711703.db2.gz BLPIXLGGGJFAML-UHFFFAOYSA-N 0 3 247.302 0.727 20 0 BCADHN CC(C)(O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000095205336 598711701 /nfs/dbraw/zinc/71/17/01/598711701.db2.gz BLPIXLGGGJFAML-UHFFFAOYSA-N 0 3 247.302 0.727 20 0 BCADHN CC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095162794 599517762 /nfs/dbraw/zinc/51/77/62/599517762.db2.gz BFFZEWZRYMSWEA-NSHDSACASA-N 0 3 247.302 0.727 20 0 BCADHN CC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095162794 599517764 /nfs/dbraw/zinc/51/77/64/599517764.db2.gz BFFZEWZRYMSWEA-NSHDSACASA-N 0 3 247.302 0.727 20 0 BCADHN CC[NH+](CC)C[C@@H]1CCN(CC(=O)[O-])C1 ZINC000308819485 600849006 /nfs/dbraw/zinc/84/90/06/600849006.db2.gz BMGSTSIDNCMFLX-JTQLQIEISA-N 0 3 214.309 0.735 20 0 BCADHN O=C([O-])N1CC[C@H](CN2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000740499054 603327909 /nfs/dbraw/zinc/32/79/09/603327909.db2.gz JORHFEULARRERL-GMTAPVOTSA-N 0 3 239.319 0.138 20 0 BCADHN CN1CCC[C@H]2C[N@H+](CC(=O)[O-])CC[C@H]21 ZINC000227339987 604363784 /nfs/dbraw/zinc/36/37/84/604363784.db2.gz JGILXRJQLFNUAX-VHSXEESVSA-N 0 3 212.293 0.487 20 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CCN(C)C(=O)[C@@H](C)N[C@H]1COCC1(C)C ZINC000313024219 634438619 /nfs/dbraw/zinc/43/86/19/634438619.db2.gz FCGUXFAFRFFTJE-ZJUUUORDSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NC(C)(C)CO ZINC000408137047 634444553 /nfs/dbraw/zinc/44/45/53/634444553.db2.gz CBSYDXRZLXYTPW-AOOOYVTPSA-N 0 3 228.336 0.746 20 0 BCADHN Cc1cc(NCCc2cn(C)cn2)nc(N)n1 ZINC000313239464 634456665 /nfs/dbraw/zinc/45/66/65/634456665.db2.gz OGPJIBPXVDGTRV-UHFFFAOYSA-N 0 3 232.291 0.755 20 0 BCADHN Cc1cc(N)nc(N[C@@H]2CCCOC2)n1 ZINC000258006835 634539238 /nfs/dbraw/zinc/53/92/38/634539238.db2.gz GUMFWSUEVYVUGH-MRVPVSSYSA-N 0 3 208.265 0.958 20 0 BCADHN Cc1cc(N)nc(N[C@H]2CCCOC2)n1 ZINC000258006837 634540082 /nfs/dbraw/zinc/54/00/82/634540082.db2.gz GUMFWSUEVYVUGH-QMMMGPOBSA-N 0 3 208.265 0.958 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@H]3CCSC3)[C@@H]2C1 ZINC000644818430 634547920 /nfs/dbraw/zinc/54/79/20/634547920.db2.gz MEOOMLDHTOHMNG-GARJFASQSA-N 0 3 240.372 0.902 20 0 BCADHN CC[C@@H](CO)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000258884035 635217783 /nfs/dbraw/zinc/21/77/83/635217783.db2.gz XXGPMXCYBRJUBV-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN CCN1CC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001009876789 634610846 /nfs/dbraw/zinc/61/08/46/634610846.db2.gz PRSAPZYJSZRQGM-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N1CCCN(CCCO)CC1 ZINC000980658572 635251868 /nfs/dbraw/zinc/25/18/68/635251868.db2.gz DHPNSZCITQHCTF-VXGBXAGGSA-N 0 3 240.347 0.559 20 0 BCADHN CC(C)(C)OCCN[C@@H]1C(=O)NCC1(C)C ZINC000925778265 635263948 /nfs/dbraw/zinc/26/39/48/635263948.db2.gz JMJRUOBEBVSFLS-SECBINFHSA-N 0 3 228.336 0.916 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCc1csc(=O)[nH]1 ZINC000226684358 635437076 /nfs/dbraw/zinc/43/70/76/635437076.db2.gz FBERDFAJTJRDSY-QMMMGPOBSA-N 0 3 243.332 0.426 20 0 BCADHN CCCN1CCC[C@@H]1CNC(=O)c1cnon1 ZINC001028215906 635492006 /nfs/dbraw/zinc/49/20/06/635492006.db2.gz BRFIFXHPCJPKBL-SECBINFHSA-N 0 3 238.291 0.674 20 0 BCADHN COCCCN(C)c1cc(C)nc(N)n1 ZINC000066372126 635472853 /nfs/dbraw/zinc/47/28/53/635472853.db2.gz KHFNZVORNJTGNV-UHFFFAOYSA-N 0 3 210.281 0.840 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1cnon1 ZINC001028215423 635492928 /nfs/dbraw/zinc/49/29/28/635492928.db2.gz QCIBJMSCQBEWTE-QMMMGPOBSA-N 0 3 224.264 0.284 20 0 BCADHN CC(C)N1CCC[C@H]1CNC(=O)c1cnon1 ZINC001028217224 635494566 /nfs/dbraw/zinc/49/45/66/635494566.db2.gz PWKBATVMJYHDCL-VIFPVBQESA-N 0 3 238.291 0.672 20 0 BCADHN CCN(CCC(N)=O)Cc1ccccn1 ZINC000094923846 635507209 /nfs/dbraw/zinc/50/72/09/635507209.db2.gz FITQEAOHGVUTPG-UHFFFAOYSA-N 0 3 207.277 0.779 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@H]1C[C@@H](O)C1(C)C ZINC000232806900 635517667 /nfs/dbraw/zinc/51/76/67/635517667.db2.gz YUBVWIVCCZCMMD-VHSXEESVSA-N 0 3 249.376 0.559 20 0 BCADHN CCCS(=O)(=O)CCN[C@H]1C[C@H](O)C1(C)C ZINC000233255619 635529021 /nfs/dbraw/zinc/52/90/21/635529021.db2.gz UAQPDWLPNLZCSL-UWVGGRQHSA-N 0 3 249.376 0.560 20 0 BCADHN COc1ccc(C[C@H](C)N[C@H]2CNOC2)cn1 ZINC000925865896 635565264 /nfs/dbraw/zinc/56/52/64/635565264.db2.gz SLDXJXPCEJPHOR-ONGXEEELSA-N 0 3 237.303 0.514 20 0 BCADHN COc1ccc(C[C@@H](C)N[C@H]2CNOC2)cn1 ZINC000925865891 635565428 /nfs/dbraw/zinc/56/54/28/635565428.db2.gz SLDXJXPCEJPHOR-KOLCDFICSA-N 0 3 237.303 0.514 20 0 BCADHN COC[C@@H](N[C@H]1CNOC1)C1CCCC1 ZINC000925869866 635580414 /nfs/dbraw/zinc/58/04/14/635580414.db2.gz RJIZQNRBIQMQDY-WDEREUQCSA-N 0 3 214.309 0.685 20 0 BCADHN CCn1cc(CN2CC[C@@H](C(N)=O)C2)c(C)n1 ZINC000891439873 631284284 /nfs/dbraw/zinc/28/42/84/631284284.db2.gz GCHQPNPWUOTPKC-SNVBAGLBSA-N 0 3 236.319 0.519 20 0 BCADHN CCCCN(CC)CCS(N)(=O)=O ZINC000308431641 631332133 /nfs/dbraw/zinc/33/21/33/631332133.db2.gz UGHOMRXKARJKHU-UHFFFAOYSA-N 0 3 208.327 0.397 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCC(F)(F)F ZINC000308463203 631352272 /nfs/dbraw/zinc/35/22/72/631352272.db2.gz GZTZFLHGIKELAG-LURJTMIESA-N 0 3 210.199 0.792 20 0 BCADHN O=C(CN[C@]12C[C@H]1COC21CCC1)N1CCC1 ZINC000933391862 631354954 /nfs/dbraw/zinc/35/49/54/631354954.db2.gz JPTHPTYYQTVVBV-GXFFZTMASA-N 0 3 236.315 0.520 20 0 BCADHN C[C@H](CO)CN(C)Cc1cccc(=O)[nH]1 ZINC000933398028 631360488 /nfs/dbraw/zinc/36/04/88/631360488.db2.gz JHKSJMOHEZQNRK-VIFPVBQESA-N 0 3 210.277 0.847 20 0 BCADHN CN(CC(=O)NC1CC1)c1ccncc1CO ZINC000891573711 631395612 /nfs/dbraw/zinc/39/56/12/631395612.db2.gz IWXMXCYYDZNSNO-UHFFFAOYSA-N 0 3 235.287 0.289 20 0 BCADHN CC(C)(C)SCCN1C[C@H](O)[C@@H](O)C1 ZINC000308524878 631422436 /nfs/dbraw/zinc/42/24/36/631422436.db2.gz IQYVXRUWQDQMOM-IUCAKERBSA-N 0 3 219.350 0.556 20 0 BCADHN CN1CC[C@H](NCc2cn(C(C)(C)C)nn2)C1 ZINC000234367008 631473981 /nfs/dbraw/zinc/47/39/81/631473981.db2.gz XIRASMIJZGOKKX-JTQLQIEISA-N 0 3 237.351 0.827 20 0 BCADHN CNC(=O)CCCN1CCC[C@H]1C1OCCO1 ZINC000933902447 631547753 /nfs/dbraw/zinc/54/77/53/631547753.db2.gz NKAYWDKBVXYZIH-JTQLQIEISA-N 0 3 242.319 0.350 20 0 BCADHN C[S@](=O)CCNCc1ccc(F)nc1 ZINC000308755291 631564991 /nfs/dbraw/zinc/56/49/91/631564991.db2.gz WDYLKNOIRZUKDW-AWEZNQCLSA-N 0 3 216.281 0.689 20 0 BCADHN Cc1nn(C(C)C)c(C)c1CNC[C@H](O)CO 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/nfs/dbraw/zinc/90/75/23/635907523.db2.gz XANSJMAWBNYNOP-BDAKNGLRSA-N 0 3 220.276 0.299 20 0 BCADHN C[C@@H](COc1ccccc1)NC(=O)CN ZINC000309450607 633084713 /nfs/dbraw/zinc/08/47/13/633084713.db2.gz MLYPWLMARJELRY-VIFPVBQESA-N 0 3 208.261 0.529 20 0 BCADHN CC[NH+](CC)C[C@H](C)Nc1cc(=O)[n-]cn1 ZINC000165227061 633088731 /nfs/dbraw/zinc/08/87/31/633088731.db2.gz SZJYEZUKXLCYLN-VIFPVBQESA-N 0 3 224.308 0.912 20 0 BCADHN C[C@@H](O)[C@H]1CCN(c2ccnc(CO)c2)C1 ZINC000166041531 633105895 /nfs/dbraw/zinc/10/58/95/633105895.db2.gz SHHXJBOPALGLCI-ZJUUUORDSA-N 0 3 222.288 0.781 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NNC(=O)c1ccccc1 ZINC000166360114 633111944 /nfs/dbraw/zinc/11/19/44/633111944.db2.gz NLIVQOCCYKAHNH-KOLCDFICSA-N 0 3 249.314 0.821 20 0 BCADHN Cc1cc(N2CCN3C(=O)CC[C@H]3C2)nc(N)n1 ZINC000168785034 633150492 /nfs/dbraw/zinc/15/04/92/633150492.db2.gz JWNWTTNNQNIQKZ-VIFPVBQESA-N 0 3 247.302 0.178 20 0 BCADHN C[C@H]1[C@@H](NC(=O)COCC(F)F)CCN1C ZINC000928428635 635909543 /nfs/dbraw/zinc/90/95/43/635909543.db2.gz NQCIUSMPZPJWPQ-YUMQZZPRSA-N 0 3 236.262 0.477 20 0 BCADHN COC(CCN(C)[C@@H]1CCCCNC1=O)OC ZINC000851750758 633178831 /nfs/dbraw/zinc/17/88/31/633178831.db2.gz FHXMANXWECAJKB-SNVBAGLBSA-N 0 3 244.335 0.596 20 0 BCADHN CC1(C)OC[C@H](CCN2CCNC(=O)CC2)O1 ZINC000851750834 633179055 /nfs/dbraw/zinc/17/90/55/633179055.db2.gz KUPSIRRDJPVROZ-JTQLQIEISA-N 0 3 242.319 0.350 20 0 BCADHN O=C1CC[C@@H](CN2CCC[C@@H](OCCO)C2)O1 ZINC000851773034 633185216 /nfs/dbraw/zinc/18/52/16/633185216.db2.gz OUSZIYPPVDJWMJ-MNOVXSKESA-N 0 3 243.303 0.165 20 0 BCADHN C[C@@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCN1C ZINC000928430218 635913519 /nfs/dbraw/zinc/91/35/19/635913519.db2.gz FTQRTJGXAYWEJU-MWLCHTKSSA-N 0 3 236.319 0.171 20 0 BCADHN Cc1ncc(C(=O)N[C@H]2CCN(C)[C@H]2C)c(N)n1 ZINC000928430910 635914892 /nfs/dbraw/zinc/91/48/92/635914892.db2.gz JZTWXWRDDCAQEF-XVKPBYJWSA-N 0 3 249.318 0.190 20 0 BCADHN Cc1c[nH]nc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928432448 635917195 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/nfs/dbraw/zinc/21/51/31/633215131.db2.gz DQZBLYYAUMQXAK-UTLUCORTSA-N 0 3 239.319 0.657 20 0 BCADHN CCO[C@@H]1COCC[C@H]1NCc1c[nH]cn1 ZINC000309673765 633222666 /nfs/dbraw/zinc/22/26/66/633222666.db2.gz XAUMLUGBHVMZGT-GHMZBOCLSA-N 0 3 225.292 0.693 20 0 BCADHN CCO[C@@H]1COCC[C@H]1NCc1cnc[nH]1 ZINC000309673765 633222669 /nfs/dbraw/zinc/22/26/69/633222669.db2.gz XAUMLUGBHVMZGT-GHMZBOCLSA-N 0 3 225.292 0.693 20 0 BCADHN CCn1nncc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928433279 635926539 /nfs/dbraw/zinc/92/65/39/635926539.db2.gz LWAIRAVQZZJKGD-IUCAKERBSA-N 0 3 237.307 0.120 20 0 BCADHN C[C@H]1[C@H](NC(=O)C2(O)CCC2)CCN1C ZINC000928433925 635927658 /nfs/dbraw/zinc/92/76/58/635927658.db2.gz BJUNLWNBYYCZAP-DTWKUNHWSA-N 0 3 212.293 0.110 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@H]2CC2(F)F)CCN1C ZINC000928433901 635928023 /nfs/dbraw/zinc/92/80/23/635928023.db2.gz NLSJYHZJCMTULN-BWZBUEFSSA-N 0 3 218.247 0.850 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@H](O)c2cccnc2)CCN1C ZINC000928436871 635932085 /nfs/dbraw/zinc/93/20/85/635932085.db2.gz PWOATFVYMLLKCB-ADEWGFFLSA-N 0 3 249.314 0.324 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@H](O)c2ccccn2)CCN1C ZINC000928441912 635942705 /nfs/dbraw/zinc/94/27/05/635942705.db2.gz PMGJFUGSHLACCO-SCVCMEIPSA-N 0 3 249.314 0.324 20 0 BCADHN CCC[C@](C)(O)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928439303 635933686 /nfs/dbraw/zinc/93/36/86/635933686.db2.gz IQGULRMADATDOE-NHCYSSNCSA-N 0 3 228.336 0.746 20 0 BCADHN CCC1(C(=O)N[C@@H]2CCN(C)[C@@H]2C)COC1 ZINC000928441217 635941041 /nfs/dbraw/zinc/94/10/41/635941041.db2.gz PELXMZJGEOZFFW-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN CCC1(C(=O)N[C@H]2CCN(C)[C@H]2C)COC1 ZINC000928441218 635941482 /nfs/dbraw/zinc/94/14/82/635941482.db2.gz PELXMZJGEOZFFW-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN COC1(C(=O)N[C@H]2CCN(C)[C@H]2C)CCC1 ZINC000928443149 635947181 /nfs/dbraw/zinc/94/71/81/635947181.db2.gz XXVSOTHPGHTKCI-UWVGGRQHSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)Cc2ccon2)CCN1C ZINC000928447068 635950978 /nfs/dbraw/zinc/95/09/78/635950978.db2.gz IWSGAJFJUYQBJC-SCZZXKLOSA-N 0 3 223.276 0.426 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)C(C)(C)F ZINC000306506034 635968429 /nfs/dbraw/zinc/96/84/29/635968429.db2.gz UXOCCNOPGPYHIU-MRVPVSSYSA-N 0 3 202.273 0.945 20 0 BCADHN CN1CCC[C@@H]1CSc1nc(N)n[nH]1 ZINC000306689368 635972657 /nfs/dbraw/zinc/97/26/57/635972657.db2.gz OAIRWUSVYWMLDR-ZCFIWIBFSA-N 0 3 213.310 0.573 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2ocnc2C)C1 ZINC000895033020 636018186 /nfs/dbraw/zinc/01/81/86/636018186.db2.gz FDGMUCYRBAZVAF-VIFPVBQESA-N 0 3 223.276 0.551 20 0 BCADHN CCN1CC[C@@H](NC(=S)NC(C)C)C1 ZINC000307597928 635990264 /nfs/dbraw/zinc/99/02/64/635990264.db2.gz OLSLBBBLTOXZMZ-SECBINFHSA-N 0 3 215.366 0.953 20 0 BCADHN CC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)O ZINC001029180897 636004074 /nfs/dbraw/zinc/00/40/74/636004074.db2.gz DEPXJJJAIFMFET-IEBDPFPHSA-N 0 3 212.293 0.062 20 0 BCADHN Cc1ccc([C@H](C)NCC(=O)NC(N)=O)s1 ZINC000049183514 636035754 /nfs/dbraw/zinc/03/57/54/636035754.db2.gz OKJZWIXLAHHUSN-ZETCQYMHSA-N 0 3 241.316 0.902 20 0 BCADHN CCN(OC)C(=O)CNC1CC(SC)C1 ZINC000895118287 636067390 /nfs/dbraw/zinc/06/73/90/636067390.db2.gz YJIIZMJZJOABIC-UHFFFAOYSA-N 0 3 232.349 0.880 20 0 BCADHN CCN(CC)CC(=O)N1CCO[C@H](C)CC1 ZINC000928530917 636057784 /nfs/dbraw/zinc/05/77/84/636057784.db2.gz AWDFHRYWASGDOL-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCN(CC(=O)NC[C@H]1CCN1C)C1CC1 ZINC000928559441 636102598 /nfs/dbraw/zinc/10/25/98/636102598.db2.gz MRDRQGAXQDIFIU-LLVKDONJSA-N 0 3 225.336 0.291 20 0 BCADHN CCN(CC(=O)NC[C@@H]1CCN1C)C1CC1 ZINC000928559442 636103164 /nfs/dbraw/zinc/10/31/64/636103164.db2.gz MRDRQGAXQDIFIU-NSHDSACASA-N 0 3 225.336 0.291 20 0 BCADHN CN1CC[C@H]1CNC(=O)[C@H]1CCN1C(C)(C)C ZINC000928557021 636096294 /nfs/dbraw/zinc/09/62/94/636096294.db2.gz YFYLCJXOGNPPIB-WDEREUQCSA-N 0 3 239.363 0.680 20 0 BCADHN CN1CC[C@@H]1CNC(=O)[C@H]1CCCN1C1CC1 ZINC000928558529 636100255 /nfs/dbraw/zinc/10/02/55/636100255.db2.gz WZUJKZMEBMROMG-VXGBXAGGSA-N 0 3 237.347 0.434 20 0 BCADHN C[C@@H](NC[C@H]1CCCOC1)C1N=NC(=O)N1C ZINC000895173649 636115311 /nfs/dbraw/zinc/11/53/11/636115311.db2.gz ACUCZSYGWOQUQV-RKDXNWHRSA-N 0 3 240.307 0.598 20 0 BCADHN CN(CCO)CCNc1nccn2ccnc12 ZINC000895240658 636126406 /nfs/dbraw/zinc/12/64/06/636126406.db2.gz MBBJXHGODIZKSQ-UHFFFAOYSA-N 0 3 235.291 0.065 20 0 BCADHN CCCN1CC[C@H](NCCS(=O)(=O)CC)C1 ZINC000328228538 633741326 /nfs/dbraw/zinc/74/13/26/633741326.db2.gz BEIQBQVHLNFURE-NSHDSACASA-N 0 3 248.392 0.495 20 0 BCADHN CC(=O)OC[C@@H](C)NC[C@@H](O)c1ccco1 ZINC000309793914 633747844 /nfs/dbraw/zinc/74/78/44/633747844.db2.gz UXPAXEPSHRMMJJ-PSASIEDQSA-N 0 3 227.260 0.854 20 0 BCADHN CCN1CCN(C[C@H]2COCCO2)[C@@H](C)C1 ZINC000930453442 633824191 /nfs/dbraw/zinc/82/41/91/633824191.db2.gz UZCDHEZKBSMYJY-RYUDHWBXSA-N 0 3 228.336 0.428 20 0 BCADHN C[C@H]1C[C@H]1CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001026006296 633832731 /nfs/dbraw/zinc/83/27/31/633832731.db2.gz SOKMGFHBMPWTNO-HKLXJQGRSA-N 0 3 238.331 0.071 20 0 BCADHN C[C@H](O)[C@H](O)CN1CCC=C(c2cccnc2)C1 ZINC000930486482 633848178 /nfs/dbraw/zinc/84/81/78/633848178.db2.gz MQKDDAXOHQCNKI-SMDDNHRTSA-N 0 3 248.326 0.912 20 0 BCADHN Cc1cc([C@@H]2CCCN2C(=O)[C@@H](C)N)no1 ZINC000309318058 633892731 /nfs/dbraw/zinc/89/27/31/633892731.db2.gz ZLLCFNIWJYHGAQ-SCZZXKLOSA-N 0 3 223.276 0.994 20 0 BCADHN Cn1cnc(CN[C@@H]2CCN(C3CC3)C2)c1 ZINC000309739359 633998811 /nfs/dbraw/zinc/99/88/11/633998811.db2.gz HHVYEENOLVCIHR-SNVBAGLBSA-N 0 3 220.320 0.746 20 0 BCADHN COC[C@@H](NCc1cnc[nH]1)[C@H]1CCCO1 ZINC000309971525 634003414 /nfs/dbraw/zinc/00/34/14/634003414.db2.gz PSRVNTCRYLIPNF-GHMZBOCLSA-N 0 3 225.292 0.693 20 0 BCADHN C(CN1CCC[C@@H]2COC[C@@H]21)O[C@H]1CCOC1 ZINC000930702996 634052296 /nfs/dbraw/zinc/05/22/96/634052296.db2.gz ZSPBTNIHFJRMQL-AGIUHOORSA-N 0 3 241.331 0.903 20 0 BCADHN COC[C@@H](NCC(OC)OC)[C@H]1CCCO1 ZINC000309973004 634054459 /nfs/dbraw/zinc/05/44/59/634054459.db2.gz QPNLUFMCGWAKAW-NXEZZACHSA-N 0 3 233.308 0.389 20 0 BCADHN COc1ccc(CNCCN2CC[C@@H](O)C2)o1 ZINC000895637435 636170246 /nfs/dbraw/zinc/17/02/46/636170246.db2.gz VEVXQVYOKQEJAZ-SNVBAGLBSA-N 0 3 240.303 0.444 20 0 BCADHN COc1ccc(CN[C@H]2C[C@H](C(N)=O)C2)nc1 ZINC000895592257 636164996 /nfs/dbraw/zinc/16/49/96/636164996.db2.gz VNLUZUGMFFOMCJ-CZMCAQCFSA-N 0 3 235.287 0.444 20 0 BCADHN CC1CCN(CCNCc2cnn(C)n2)CC1 ZINC000310149162 634079808 /nfs/dbraw/zinc/07/98/08/634079808.db2.gz HORWUWSLIAHPGV-UHFFFAOYSA-N 0 3 237.351 0.637 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H](O)[C@H](C)C1)N(C)C ZINC000186729234 634082316 /nfs/dbraw/zinc/08/23/16/634082316.db2.gz TVGFYJQAOPNSDA-OUAUKWLOSA-N 0 3 228.336 0.556 20 0 BCADHN CN1C[C@@H](NCc2ccc(F)nc2)CCC1=O ZINC000189122165 634166171 /nfs/dbraw/zinc/16/61/71/634166171.db2.gz GQICFLUPLSACSI-JTQLQIEISA-N 0 3 237.278 0.931 20 0 BCADHN CCO[C@H]1C[C@](N)(C(=O)N(C)OC)C1(C)C ZINC000162529539 634185229 /nfs/dbraw/zinc/18/52/29/634185229.db2.gz YNWUEZXMONCTEG-KWQFWETISA-N 0 3 230.308 0.539 20 0 BCADHN COC/C(C)=C/CN1CCC(CO)(CO)C1 ZINC000931040014 634194492 /nfs/dbraw/zinc/19/44/92/634194492.db2.gz WBLFGIBRFHFJAP-QDEBKDIKSA-N 0 3 229.320 0.256 20 0 BCADHN CC(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001026629889 634266714 /nfs/dbraw/zinc/26/67/14/634266714.db2.gz DZIAQMFOHRICRL-SECBINFHSA-N 0 3 240.332 0.496 20 0 BCADHN CC(=O)N1CC[C@H](CNCc2cnc(C)o2)C1 ZINC001026630095 634267030 /nfs/dbraw/zinc/26/70/30/634267030.db2.gz HHVGLYSRXMQZHW-LLVKDONJSA-N 0 3 237.303 0.941 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC000194048834 634304659 /nfs/dbraw/zinc/30/46/59/634304659.db2.gz ZFAKEHWMIJVKGC-SECBINFHSA-N 0 3 237.307 0.327 20 0 BCADHN C[C@@H]([NH3+])CNC(=O)c1nnc2ccccc2c1[O-] ZINC000194859458 634337146 /nfs/dbraw/zinc/33/71/46/634337146.db2.gz XJGRMOIAHGYVRW-SSDOTTSWSA-N 0 3 246.270 0.000 20 0 BCADHN O=C(NC[C@H]1CCCN1CCO)C1CCC1 ZINC001027717394 635126332 /nfs/dbraw/zinc/12/63/32/635126332.db2.gz UCIRPBAZRNVKQB-LLVKDONJSA-N 0 3 226.320 0.359 20 0 BCADHN CSCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000083118266 635171396 /nfs/dbraw/zinc/17/13/96/635171396.db2.gz JEUIDDPEPVHAHW-SFYZADRCSA-N 0 3 202.323 0.558 20 0 BCADHN COc1c(CN[C@@H](C)[C@@H](C)O)c(C)nn1C ZINC000336657317 635200578 /nfs/dbraw/zinc/20/05/78/635200578.db2.gz AWFGZZDJJSGYTN-IONNQARKSA-N 0 3 227.308 0.596 20 0 BCADHN COc1c(CN[C@@H](C)[C@H](C)O)c(C)nn1C ZINC000336657316 635202020 /nfs/dbraw/zinc/20/20/20/635202020.db2.gz AWFGZZDJJSGYTN-CBAPKCEASA-N 0 3 227.308 0.596 20 0 BCADHN CN1CCNC[C@@H]1C(=O)NCC1CCCCC1 ZINC000258938434 635227715 /nfs/dbraw/zinc/22/77/15/635227715.db2.gz MAOQPMCIUPWVCU-GFCCVEGCSA-N 0 3 239.363 0.587 20 0 BCADHN COCC(=O)N1CCCN([C@@H](C)COC)CC1 ZINC000980580229 635238546 /nfs/dbraw/zinc/23/85/46/635238546.db2.gz RFCYTKOVABFLOW-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN Cn1ncc(CNCCN2CCCCCC2)n1 ZINC000310151570 635260507 /nfs/dbraw/zinc/26/05/07/635260507.db2.gz IJIUCRIIORTZSE-UHFFFAOYSA-N 0 3 237.351 0.781 20 0 BCADHN C/C=C(/C)C(=O)N1CCCN(CCCO)CC1 ZINC000980939582 635301040 /nfs/dbraw/zinc/30/10/40/635301040.db2.gz VBVBTZPZSGMPFL-BASWHVEKSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H](O)C[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000095246556 635439238 /nfs/dbraw/zinc/43/92/38/635439238.db2.gz SQQWRDUEHADDFG-RKDXNWHRSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@@H](O)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000095246556 635439251 /nfs/dbraw/zinc/43/92/51/635439251.db2.gz SQQWRDUEHADDFG-RKDXNWHRSA-N 0 3 247.302 0.898 20 0 BCADHN COC[C@@H](N[C@@H]1CNOC1)C1CCCC1 ZINC000925862470 635561018 /nfs/dbraw/zinc/56/10/18/635561018.db2.gz RJIZQNRBIQMQDY-GHMZBOCLSA-N 0 3 214.309 0.685 20 0 BCADHN CCN(CC)CC(=O)NC/C=C(/C)C(=O)OC ZINC000927982903 635789983 /nfs/dbraw/zinc/78/99/83/635789983.db2.gz AKRYFEXPQDISCH-YFHOEESVSA-N 0 3 242.319 0.564 20 0 BCADHN CC[C@@H](C)CCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924976307 635820557 /nfs/dbraw/zinc/82/05/57/635820557.db2.gz KLSYMYLUYAYHBL-NXEZZACHSA-N 0 3 241.335 0.905 20 0 BCADHN O[C@H]1c2ccccc2OC[C@@H]1NCc1cnc[nH]1 ZINC000894787487 635925202 /nfs/dbraw/zinc/92/52/02/635925202.db2.gz POJLCIVDQJQMRS-AAEUAGOBSA-N 0 3 245.282 0.994 20 0 BCADHN O[C@@H]1c2ccccc2OC[C@@H]1NCc1cnc[nH]1 ZINC000894787489 635925342 /nfs/dbraw/zinc/92/53/42/635925342.db2.gz POJLCIVDQJQMRS-WCQYABFASA-N 0 3 245.282 0.994 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@H](O)c2cccnc2)CCN1C ZINC000928436877 635931258 /nfs/dbraw/zinc/93/12/58/635931258.db2.gz PWOATFVYMLLKCB-JLLWLGSASA-N 0 3 249.314 0.324 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cnn3c2CCC3)CCN1C ZINC000928435894 635931345 /nfs/dbraw/zinc/93/13/45/635931345.db2.gz SJWPXLRVLAIJDW-MWLCHTKSSA-N 0 3 248.330 0.652 20 0 BCADHN COc1ccc(CN[C@@H]2CCOC[C@H]2O)nc1 ZINC000895642224 636171071 /nfs/dbraw/zinc/17/10/71/636171071.db2.gz YTLGQKXFNILULI-VXGBXAGGSA-N 0 3 238.287 0.330 20 0 BCADHN CSCC(=O)N1CCNC(C)(C)C1 ZINC000148076114 636238749 /nfs/dbraw/zinc/23/87/49/636238749.db2.gz FXNMXQSBTRGURK-UHFFFAOYSA-N 0 3 202.323 0.560 20 0 BCADHN CCC(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC000985187820 636260477 /nfs/dbraw/zinc/26/04/77/636260477.db2.gz VJUKOPWLDOQZMJ-VIFPVBQESA-N 0 3 241.335 0.193 20 0 BCADHN COc1ccc(CN[C@H]2C[C@H](CO)C2)nc1 ZINC000897355121 636376797 /nfs/dbraw/zinc/37/67/97/636376797.db2.gz FDRUOLNIHXRWQR-HOMQSWHASA-N 0 3 222.288 0.951 20 0 BCADHN CC(=O)N1CC[C@H](NCc2cnn(C)c2)[C@@H]1C ZINC000985834375 636426028 /nfs/dbraw/zinc/42/60/28/636426028.db2.gz VGFDZDFFJSBZPA-CABZTGNLSA-N 0 3 236.319 0.519 20 0 BCADHN COCC(=O)N1CC[C@@H](NCCF)[C@H]1C ZINC000985867477 636436917 /nfs/dbraw/zinc/43/69/17/636436917.db2.gz GOTMNMKJBKDTBG-RKDXNWHRSA-N 0 3 218.272 0.181 20 0 BCADHN CC(C)[C@@H](CO)N[C@@H](C)c1cnnn1C ZINC000925229648 636447550 /nfs/dbraw/zinc/44/75/50/636447550.db2.gz WOLMWJLWALEXLB-DTWKUNHWSA-N 0 3 212.297 0.483 20 0 BCADHN C[C@H]1[C@H](NCCF)CCN1C(=O)c1cn[nH]c1 ZINC000986031912 636472557 /nfs/dbraw/zinc/47/25/57/636472557.db2.gz HRWYXVZDMJIEJK-WCBMZHEXSA-N 0 3 240.282 0.572 20 0 BCADHN C[C@@H]1OC[C@@H](NCc2ccc(C(N)=O)nc2)[C@@H]1C ZINC000925240995 636488666 /nfs/dbraw/zinc/48/86/66/636488666.db2.gz MVIUMMHZILVYQE-VDDIYKPWSA-N 0 3 249.314 0.694 20 0 BCADHN C[C@@H]1COC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC000928908254 636494138 /nfs/dbraw/zinc/49/41/38/636494138.db2.gz XMONJFKVGDAICK-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN CC(=O)N1C[C@H](NCc2ccnn2C)C[C@@H]1C ZINC000987629894 636656010 /nfs/dbraw/zinc/65/60/10/636656010.db2.gz AWSNFUAEWVFECW-GXSJLCMTSA-N 0 3 236.319 0.519 20 0 BCADHN CC(=O)N1C[C@H](NCc2cnn(C)c2)C[C@@H]1C ZINC000987632170 636656528 /nfs/dbraw/zinc/65/65/28/636656528.db2.gz MYSMPTKMKUICHH-JOYOIKCWSA-N 0 3 236.319 0.519 20 0 BCADHN C[C@@H]1C[C@H](NCCF)CN1C(=O)C1CC1 ZINC000987682704 636658012 /nfs/dbraw/zinc/65/80/12/636658012.db2.gz ODWKHVLUWZORBE-SCZZXKLOSA-N 0 3 214.284 0.945 20 0 BCADHN CC(=O)N1C[C@H](NCc2cnc(C)nc2)C[C@H]1C ZINC000987649986 636658745 /nfs/dbraw/zinc/65/87/45/636658745.db2.gz ZQSJBEMYNKDNCB-NOZJJQNGSA-N 0 3 248.330 0.884 20 0 BCADHN COCC(=O)N1C[C@H](NCCF)C[C@H]1C ZINC000987666450 636659425 /nfs/dbraw/zinc/65/94/25/636659425.db2.gz IKLYXUVURUGPDW-RKDXNWHRSA-N 0 3 218.272 0.181 20 0 BCADHN C[C@H]1C[C@@H](NCCF)CN1C(=O)c1cn[nH]c1 ZINC000988188254 636681898 /nfs/dbraw/zinc/68/18/98/636681898.db2.gz IKHZPYOXEBKTQF-WCBMZHEXSA-N 0 3 240.282 0.572 20 0 BCADHN CC(C)N1CC(=O)N([C@H]2CCCN(C)C2)C1=O ZINC000925290051 636735149 /nfs/dbraw/zinc/73/51/49/636735149.db2.gz BUOVURLCMBGJHC-JTQLQIEISA-N 0 3 239.319 0.753 20 0 BCADHN CCCN1CC(=O)N(C[C@H]2CCCN2C)C1=O ZINC000925289490 636735302 /nfs/dbraw/zinc/73/53/02/636735302.db2.gz UAKBAQZCOYBLSI-SNVBAGLBSA-N 0 3 239.319 0.755 20 0 BCADHN CCCN1CC(=O)N([C@H]2CCCN(C)C2)C1=O ZINC000925290629 636736987 /nfs/dbraw/zinc/73/69/87/636736987.db2.gz FODQCXRRPYYBFC-JTQLQIEISA-N 0 3 239.319 0.755 20 0 BCADHN CC[C@@H]1NC(=O)N(C[C@H]2CCCN2C)C1=O ZINC000925290974 636737185 /nfs/dbraw/zinc/73/71/85/636737185.db2.gz GMXDUZVGFGGKIQ-BDAKNGLRSA-N 0 3 225.292 0.411 20 0 BCADHN CC[C@H]1NC(=O)N(C[C@@H]2CCCN2C)C1=O ZINC000925290975 636737788 /nfs/dbraw/zinc/73/77/88/636737788.db2.gz GMXDUZVGFGGKIQ-DTWKUNHWSA-N 0 3 225.292 0.411 20 0 BCADHN COCCNCC(=O)N[C@@H](C)CCSC ZINC000158331190 636738815 /nfs/dbraw/zinc/73/88/15/636738815.db2.gz YNPKGSRTCFMSHM-VIFPVBQESA-N 0 3 234.365 0.480 20 0 BCADHN C[C@H]1C[C@H](NCCF)CN1C(=O)CC(C)(C)O ZINC000988728556 636770658 /nfs/dbraw/zinc/77/06/58/636770658.db2.gz HPFDRFLHBQSGDP-UWVGGRQHSA-N 0 3 246.326 0.696 20 0 BCADHN c1cnn(CCCNCc2ncc[nH]2)c1 ZINC000067718626 636777825 /nfs/dbraw/zinc/77/78/25/636777825.db2.gz IOUIAQDZMPMCMO-UHFFFAOYSA-N 0 3 205.265 0.786 20 0 BCADHN C[C@@H]1C[C@@H](NCCF)CN1C(=O)c1ncc[nH]1 ZINC000988796642 636787132 /nfs/dbraw/zinc/78/71/32/636787132.db2.gz GBCLNWNHBTXJJB-RKDXNWHRSA-N 0 3 240.282 0.572 20 0 BCADHN CCCN(CCO)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925313078 636817227 /nfs/dbraw/zinc/81/72/27/636817227.db2.gz LIAACDUZWQGSOF-QWRGUYRKSA-N 0 3 243.351 0.493 20 0 BCADHN O=C(N[C@@H]1CCN(CCCF)C1)c1ncc[nH]1 ZINC001014378471 636835169 /nfs/dbraw/zinc/83/51/69/636835169.db2.gz GEVDLBITXKRHJN-SECBINFHSA-N 0 3 240.282 0.573 20 0 BCADHN C[C@]1(NCC2=CCCOC2)CCNC1=O ZINC000897873586 636841289 /nfs/dbraw/zinc/84/12/89/636841289.db2.gz ZMGCJYHRSPWWNE-NSHDSACASA-N 0 3 210.277 0.201 20 0 BCADHN CO[C@@H]1CCOC[C@H]1N[C@@H](C)COC(C)=O ZINC000897888418 636844843 /nfs/dbraw/zinc/84/48/43/636844843.db2.gz AIBWNTKUOOURRR-JMJZKYOTSA-N 0 3 231.292 0.332 20 0 BCADHN COCCN(CCOC)CCO[C@H]1CCOC1 ZINC000929156353 636860135 /nfs/dbraw/zinc/86/01/35/636860135.db2.gz DQKYCFXLUDTSBV-LBPRGKRZSA-N 0 3 247.335 0.387 20 0 BCADHN CCN(CCOC)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925323145 636864572 /nfs/dbraw/zinc/86/45/72/636864572.db2.gz YWQSWFUOLYWUGS-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@H]1C[C@@H](NCCF)CN1C(=O)c1cnon1 ZINC000989580110 636865291 /nfs/dbraw/zinc/86/52/91/636865291.db2.gz LGFQCAGWLWSLPL-JGVFFNPUSA-N 0 3 242.254 0.232 20 0 BCADHN O=C(N[C@]12CCC[C@@H]1N(CCO)CC2)C(F)F ZINC000989880392 636890941 /nfs/dbraw/zinc/89/09/41/636890941.db2.gz NYKPNLDQOKCLRD-KWQFWETISA-N 0 3 248.273 0.357 20 0 BCADHN CON1CCC(NCc2cc[nH]n2)CC1 ZINC000323050447 636893916 /nfs/dbraw/zinc/89/39/16/636893916.db2.gz GTRLSHTXIKOGLP-UHFFFAOYSA-N 0 3 210.281 0.525 20 0 BCADHN O[C@H](CN[C@@H]1COC[C@H]1O)c1ccc(F)cc1 ZINC000323206090 636907299 /nfs/dbraw/zinc/90/72/99/636907299.db2.gz VLINPYQKNOAURC-IJLUTSLNSA-N 0 3 241.262 0.208 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N(C[C@@H]2CC2(C)C)C1=O ZINC000924630720 636947445 /nfs/dbraw/zinc/94/74/45/636947445.db2.gz ALCMRXIFJRFDAN-IUCAKERBSA-N 0 3 239.319 0.515 20 0 BCADHN CN(C)C[C@H]1NC(=O)N(C[C@H]2CC2(C)C)C1=O ZINC000924630721 636947969 /nfs/dbraw/zinc/94/79/69/636947969.db2.gz ALCMRXIFJRFDAN-RKDXNWHRSA-N 0 3 239.319 0.515 20 0 BCADHN CN(C)C[C@H]1NC(=O)N(C2CC(F)(F)C2)C1=O ZINC000924654436 636977614 /nfs/dbraw/zinc/97/76/14/636977614.db2.gz SLBITSYUDXGIAM-SSDOTTSWSA-N 0 3 247.245 0.266 20 0 BCADHN CC(C)C[C@@H](CO)N[C@@H](C)c1cnnn1C ZINC000924751368 637076904 /nfs/dbraw/zinc/07/69/04/637076904.db2.gz AXMPJRKDXVYDBP-UWVGGRQHSA-N 0 3 226.324 0.873 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H]1C[C@@H]1C(=O)OC ZINC000899672632 637108296 /nfs/dbraw/zinc/10/82/96/637108296.db2.gz AFVDJDPCRFTWGQ-UWVGGRQHSA-N 0 3 242.319 0.254 20 0 BCADHN CC(C)=CCCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924761761 637111761 /nfs/dbraw/zinc/11/17/61/637111761.db2.gz UZAQZKMBUGNQHZ-JTQLQIEISA-N 0 3 239.319 0.825 20 0 BCADHN CCc1nnc(C(=O)N(C)CCN(C)C)s1 ZINC000900928480 637212387 /nfs/dbraw/zinc/21/23/87/637212387.db2.gz YYTZWIWFSPBDBQ-UHFFFAOYSA-N 0 3 242.348 0.734 20 0 BCADHN C[C@@H]1C[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000903528562 637366433 /nfs/dbraw/zinc/36/64/33/637366433.db2.gz OGLVBLNRCKYVQJ-HTQZYQBOSA-N 0 3 230.289 0.166 20 0 BCADHN CON(C)CCNCc1cn(C)nc1C1CC1 ZINC000904439652 637408270 /nfs/dbraw/zinc/40/82/70/637408270.db2.gz QBZWESLZFUQRRK-UHFFFAOYSA-N 0 3 238.335 0.880 20 0 BCADHN NOCCCNCc1cn2cccc(F)c2n1 ZINC000904456873 637419546 /nfs/dbraw/zinc/41/95/46/637419546.db2.gz NHRWBWGVCWRYQT-UHFFFAOYSA-N 0 3 238.266 0.843 20 0 BCADHN Nc1ccc(CN[C@H]2COC[C@@H]2C2CC2)nn1 ZINC000904476902 637428149 /nfs/dbraw/zinc/42/81/49/637428149.db2.gz SRJZUPJJRYGMEF-MNOVXSKESA-N 0 3 234.303 0.573 20 0 BCADHN c1n[n-]c(-c2noc(C34CCC(CC3)[NH2+]4)n2)n1 ZINC000904678213 637450412 /nfs/dbraw/zinc/45/04/12/637450412.db2.gz RIDXAVWIWXISRW-UHFFFAOYSA-N 0 3 232.247 0.596 20 0 BCADHN C[C@@H]1NC(=S)N([C@@H]2CCN(C)[C@H]2C)C1=O ZINC000905000511 637538511 /nfs/dbraw/zinc/53/85/11/637538511.db2.gz YGGLMZQEUIVZJT-BIIVOSGPSA-N 0 3 227.333 0.184 20 0 BCADHN Cc1n[nH]cc1CNC[C@H](O)C1(O)CCC1 ZINC000905034727 637557378 /nfs/dbraw/zinc/55/73/78/637557378.db2.gz BNLIEYRVMWNXDO-JTQLQIEISA-N 0 3 225.292 0.084 20 0 BCADHN CC(C)(C)[C@H](N)c1cn(C2=NOCC2)nn1 ZINC000905061630 637595465 /nfs/dbraw/zinc/59/54/65/637595465.db2.gz JNZIAWACBZAMJN-SECBINFHSA-N 0 3 223.280 0.906 20 0 BCADHN Cc1cc(CNC[C@H](O)C2(O)CCC2)n[nH]1 ZINC000905119168 637624975 /nfs/dbraw/zinc/62/49/75/637624975.db2.gz XGAXOZHHXKAJQS-JTQLQIEISA-N 0 3 225.292 0.084 20 0 BCADHN Cc1cc(CNC[C@H](O)C2(O)CCC2)[nH]n1 ZINC000905119168 637624982 /nfs/dbraw/zinc/62/49/82/637624982.db2.gz XGAXOZHHXKAJQS-JTQLQIEISA-N 0 3 225.292 0.084 20 0 BCADHN COCCCNC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000905149825 637660329 /nfs/dbraw/zinc/66/03/29/637660329.db2.gz UMRXVIHALSFIBI-NXEZZACHSA-N 0 3 229.324 0.415 20 0 BCADHN CC[C@@H](OC)C(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC001074559728 711443653 /nfs/dbraw/zinc/44/36/53/711443653.db2.gz VWMYDQGLCPSTFB-GARJFASQSA-N 0 3 246.326 0.960 20 0 BCADHN Cc1ncccc1CNC[C@H](O)C1(O)CCC1 ZINC000905383233 637784600 /nfs/dbraw/zinc/78/46/00/637784600.db2.gz GSUIFVXOPSRIKP-LBPRGKRZSA-N 0 3 236.315 0.756 20 0 BCADHN CCCn1cc(CNCC[S@](C)=O)cn1 ZINC000164125441 637814864 /nfs/dbraw/zinc/81/48/64/637814864.db2.gz QGRGFIHKXTWYII-OAHLLOKOSA-N 0 3 229.349 0.761 20 0 BCADHN C[C@H](O)CNCc1cc(N(C)C)ccn1 ZINC000905517540 637841640 /nfs/dbraw/zinc/84/16/40/637841640.db2.gz DMQNACHFAOPXKP-VIFPVBQESA-N 0 3 209.293 0.618 20 0 BCADHN COC[C@@H](O)CNCc1cc(N(C)C)ccn1 ZINC000905525829 637846196 /nfs/dbraw/zinc/84/61/96/637846196.db2.gz RMDALYMFXRBJQE-LBPRGKRZSA-N 0 3 239.319 0.245 20 0 BCADHN CCC[C@@H](O)CCNCCS(=O)(=O)CC ZINC000905591867 637856833 /nfs/dbraw/zinc/85/68/33/637856833.db2.gz XFTQBKXFVOPKIF-SNVBAGLBSA-N 0 3 237.365 0.562 20 0 BCADHN CC(C)OC[C@@H](O)CNCc1cncc(O)c1 ZINC000905622388 637860875 /nfs/dbraw/zinc/86/08/75/637860875.db2.gz CHJLJTCOQUKAFE-LBPRGKRZSA-N 0 3 240.303 0.663 20 0 BCADHN CSCCNC(=S)N[C@H]1CCN(C)[C@@H]1C ZINC000905649053 637870079 /nfs/dbraw/zinc/87/00/79/637870079.db2.gz LUQNGIDJRVLQAQ-BDAKNGLRSA-N 0 3 247.433 0.906 20 0 BCADHN C[C@H](CN[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)S(C)(=O)=O ZINC000905658282 637872859 /nfs/dbraw/zinc/87/28/59/637872859.db2.gz BZFXFVGKSAKCMH-UUFBCVLASA-N 0 3 245.344 0.185 20 0 BCADHN CCOCCNC(=S)N[C@@H]1CCN(C)[C@H]1C ZINC000905647293 637882374 /nfs/dbraw/zinc/88/23/74/637882374.db2.gz CKLIRRLURDRIKI-VHSXEESVSA-N 0 3 245.392 0.580 20 0 BCADHN O[C@@H](CNC/C=C\Cl)CC1(O)CCOCC1 ZINC000905706776 637890441 /nfs/dbraw/zinc/89/04/41/637890441.db2.gz IVYYKZGLCFXUPL-GAGJOLBNSA-N 0 3 249.738 0.621 20 0 BCADHN CC(C)(O)C[C@H](O)CNC/C=C/Cl ZINC000905706158 637890766 /nfs/dbraw/zinc/89/07/66/637890766.db2.gz GGTIYNYPRFDHCE-RTMURIBGSA-N 0 3 207.701 0.850 20 0 BCADHN COCC1CN(C[C@@H](O)COCC(C)C)C1 ZINC000905973186 637988140 /nfs/dbraw/zinc/98/81/40/637988140.db2.gz UFHICKPXMDYJEI-GFCCVEGCSA-N 0 3 231.336 0.598 20 0 BCADHN C[C@H]1CN(C[C@@H](O)C2(O)CCCC2)CCN1C ZINC000905938606 637981449 /nfs/dbraw/zinc/98/14/49/637981449.db2.gz RYGCABBOCTXEJW-NWDGAFQWSA-N 0 3 242.363 0.288 20 0 BCADHN CC(C)(O)C1CN(C[C@@](C)(O)C(F)F)C1 ZINC000905952131 638000296 /nfs/dbraw/zinc/00/02/96/638000296.db2.gz WHEQJFVWSVFPPQ-SNVBAGLBSA-N 0 3 223.263 0.705 20 0 BCADHN CCCN(CCN(C)C)C(=O)CCC(N)=O ZINC000906577363 638217643 /nfs/dbraw/zinc/21/76/43/638217643.db2.gz MEOBSYNZJARSJW-UHFFFAOYSA-N 0 3 229.324 0.052 20 0 BCADHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000906677081 638231919 /nfs/dbraw/zinc/23/19/19/638231919.db2.gz TYBLIZYVQVESJU-WRWGMCAJSA-N 0 3 240.347 0.868 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC000906796097 638248846 /nfs/dbraw/zinc/24/88/46/638248846.db2.gz BBRIJMQLMQCBNT-VIFPVBQESA-N 0 3 242.319 0.539 20 0 BCADHN C[C@H](NC(=O)COC1CC1)C1=CCN(C)CC1 ZINC000907280654 638340975 /nfs/dbraw/zinc/34/09/75/638340975.db2.gz BQVWONRGMKBHHY-JTQLQIEISA-N 0 3 238.331 0.932 20 0 BCADHN CN(CC(=O)N1CCC[C@]1(C)CO)C1CCC1 ZINC000907374465 638365397 /nfs/dbraw/zinc/36/53/97/638365397.db2.gz ONWIOOXDQWAJBQ-CYBMUJFWSA-N 0 3 240.347 0.844 20 0 BCADHN O=C(N[C@H]1CCn2ccnc2C1)c1[nH]ncc1F ZINC000907527920 638397041 /nfs/dbraw/zinc/39/70/41/638397041.db2.gz KAJMJRZCOGFIDY-ZETCQYMHSA-N 0 3 249.249 0.490 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H](C)[C@H]1CO)N(C)C ZINC000907631353 638423670 /nfs/dbraw/zinc/42/36/70/638423670.db2.gz CCNUZUGGVTYQJL-OUAUKWLOSA-N 0 3 228.336 0.556 20 0 BCADHN CCNC(=O)[C@H](C)Nc1cc(C)nc(N)n1 ZINC000043533274 638519400 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VADZAKHZMIHYLS-CGXZDELUSA-N 0 3 226.320 0.526 20 0 BCADHN CCC/C=C\C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908207871 638611618 /nfs/dbraw/zinc/61/16/18/638611618.db2.gz KNWGJMCEIHKLEK-DJFZKKHWSA-N 0 3 240.347 0.916 20 0 BCADHN CCC/C=C/C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908207874 638613019 /nfs/dbraw/zinc/61/30/19/638613019.db2.gz KNWGJMCEIHKLEK-RPTYSRGTSA-N 0 3 240.347 0.916 20 0 BCADHN Cn1cnc(NC(=O)[C@H]2CC[C@@H]3CCCCN23)n1 ZINC000908377782 638674253 /nfs/dbraw/zinc/67/42/53/638674253.db2.gz OTZXOWMWKCHGPD-VHSXEESVSA-N 0 3 249.318 0.771 20 0 BCADHN CCN(CC(C)=O)C(=O)C12CCN(CC1)C2 ZINC000908384263 638680101 /nfs/dbraw/zinc/68/01/01/638680101.db2.gz OUTWBDZLVZXWOY-UHFFFAOYSA-N 0 3 224.304 0.520 20 0 BCADHN CC[C@@H](C(=O)NC[C@@]1(O)CCC[C@@H]1C)N(C)C ZINC000908441976 638716163 /nfs/dbraw/zinc/71/61/63/638716163.db2.gz BSTNNIBXNKYUTJ-GVXVVHGQSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CCn2ccnc21)N(C)C ZINC000908518128 638753408 /nfs/dbraw/zinc/75/34/08/638753408.db2.gz URBWYPNDABIZCR-UWVGGRQHSA-N 0 3 236.319 0.784 20 0 BCADHN CN(CCOC1CC1)CC(C)(CO)CO ZINC000711680419 711465140 /nfs/dbraw/zinc/46/51/40/711465140.db2.gz RAABZLMDDDUJNZ-UHFFFAOYSA-N 0 3 217.309 0.088 20 0 BCADHN O=C(CCF)N[C@H]1CCCN(CCCO)C1 ZINC000908542108 639007921 /nfs/dbraw/zinc/00/79/21/639007921.db2.gz XAKILFLOLNOVJX-JTQLQIEISA-N 0 3 232.299 0.309 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@@H](O)[C@H]1C)N(C)C ZINC000908697918 639048639 /nfs/dbraw/zinc/04/86/39/639048639.db2.gz XTIWYBFPEGAECK-OUAUKWLOSA-N 0 3 228.336 0.698 20 0 BCADHN Cc1nccn1CC(=O)NC(C)(C)c1c[nH]nn1 ZINC000909725537 639212942 /nfs/dbraw/zinc/21/29/42/639212942.db2.gz UNZUAGGEMZSJJR-UHFFFAOYSA-N 0 3 248.290 0.361 20 0 BCADHN CCN1CCCN(C(=O)c2ncc[nH]2)[C@@H](C)C1 ZINC000910272926 639398570 /nfs/dbraw/zinc/39/85/70/639398570.db2.gz YOVJEFUUYMWXAU-JTQLQIEISA-N 0 3 236.319 0.966 20 0 BCADHN CCN1CCCN(C(=O)[C@@H](O)C(C)C)[C@@H](C)C1 ZINC000910274483 639401712 /nfs/dbraw/zinc/40/17/12/639401712.db2.gz POQZSVQIZMLLPW-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN CCN1CCCN(C(=O)C2(O)CCC2)[C@@H](C)C1 ZINC000910284911 639406411 /nfs/dbraw/zinc/40/64/11/639406411.db2.gz VKNVROLJFAXQDP-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CCC[C@H](CO)C1)N(C)C ZINC000910561053 639480991 /nfs/dbraw/zinc/48/09/91/639480991.db2.gz RXFGYGUYYXWGCS-TUAOUCFPSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1cc(NCCCC(C)(C)CO)nc(N)n1 ZINC000393426705 711472157 /nfs/dbraw/zinc/47/21/57/711472157.db2.gz NHTMVFXTKRNOQF-UHFFFAOYSA-N 0 3 238.335 0.830 20 0 BCADHN Cc1ccnc(CNC(=O)C2(N(C)C)CCC2)n1 ZINC000911006878 639564141 /nfs/dbraw/zinc/56/41/41/639564141.db2.gz ZBJIWPPKBUQFTA-UHFFFAOYSA-N 0 3 248.330 0.886 20 0 BCADHN CC[C@@H](C(=O)N1C[C@H](C)C[C@@H](CO)C1)N(C)C ZINC000911184239 639588656 /nfs/dbraw/zinc/58/86/56/639588656.db2.gz XFRQSZLAIUYWSE-UTUOFQBUSA-N 0 3 242.363 0.804 20 0 BCADHN COc1ccc(C2(NC[C@H](O)CO)CC2)cc1 ZINC000930219627 639640773 /nfs/dbraw/zinc/64/07/73/639640773.db2.gz AJXIWKIUWOCVQS-NSHDSACASA-N 0 3 237.299 0.627 20 0 BCADHN C[C@@H]1C(=O)N([C@@H]2CCN(C)[C@@H](C)C2)C(=O)N1C ZINC000348602893 639654413 /nfs/dbraw/zinc/65/44/13/639654413.db2.gz OAVIARAULDWDIN-IVZWLZJFSA-N 0 3 239.319 0.752 20 0 BCADHN C/C=C/[C@H](O)C(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000911511103 639658281 /nfs/dbraw/zinc/65/82/81/639658281.db2.gz FDFBUYBPCLKAOK-JZYUNNQISA-N 0 3 240.347 0.866 20 0 BCADHN OC[C@@]12C[C@@H]1CN(CCc1ccns1)C2 ZINC000930251279 639661237 /nfs/dbraw/zinc/66/12/37/639661237.db2.gz JLEUQKBIYQVEJW-KOLCDFICSA-N 0 3 224.329 1.000 20 0 BCADHN CON1CC[C@@H](N2CCC[C@](C)(O)CC2)C1=O ZINC000930280416 639679465 /nfs/dbraw/zinc/67/94/65/639679465.db2.gz XPMHKVFOINEABU-PWSUYJOCSA-N 0 3 242.319 0.386 20 0 BCADHN C[C@H]1[C@@H](C(F)(F)F)CCN1C[C@H](O)CO ZINC000930276117 639679815 /nfs/dbraw/zinc/67/98/15/639679815.db2.gz XHESIHCTLSEOMU-FXQIFTODSA-N 0 3 227.226 0.612 20 0 BCADHN Cc1ncc2n1C[C@@H](C(=O)N1CCNCC1)CC2 ZINC000911648423 639704685 /nfs/dbraw/zinc/70/46/85/639704685.db2.gz IUISFEZGGXIUHY-NSHDSACASA-N 0 3 248.330 0.186 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2cccnn2)C1 ZINC000930347000 639718082 /nfs/dbraw/zinc/71/80/82/639718082.db2.gz LYPLGGWAYDNMDF-UWVGGRQHSA-N 0 3 247.302 0.644 20 0 BCADHN COc1c(C)cnc(CNCCO)c1C ZINC000035598621 639740928 /nfs/dbraw/zinc/74/09/28/639740928.db2.gz KBSURJUDKKDLCX-UHFFFAOYSA-N 0 3 210.277 0.789 20 0 BCADHN C[C@H]1CNCCN1C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000911719250 639742795 /nfs/dbraw/zinc/74/27/95/639742795.db2.gz DSTCWMHCRMZCGZ-HBNTYKKESA-N 0 3 248.330 0.344 20 0 BCADHN CN(Cc1ccc(N)nc1)C1(CO)CC1 ZINC000930464951 639769487 /nfs/dbraw/zinc/76/94/87/639769487.db2.gz KXFXJEWHETZHNB-UHFFFAOYSA-N 0 3 207.277 0.621 20 0 BCADHN COCCOCCN(C)CCO[C@@H]1CCOC1 ZINC000930503235 639788764 /nfs/dbraw/zinc/78/87/64/639788764.db2.gz RXUYRUNGNMZKOJ-GFCCVEGCSA-N 0 3 247.335 0.387 20 0 BCADHN C[C@H](O)[C@@H](O)CN1CCC(F)(F)[C@@H](C)C1 ZINC000930514198 639794814 /nfs/dbraw/zinc/79/48/14/639794814.db2.gz UCXQHAVVPXKKKN-CIUDSAMLSA-N 0 3 223.263 0.705 20 0 BCADHN COC(=O)/C=C(\C)CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000930543552 639807279 /nfs/dbraw/zinc/80/72/79/639807279.db2.gz YTJAEXAOURHKHP-YBOYPCLQSA-N 0 3 225.288 0.276 20 0 BCADHN CN1C[C@H]2CCN(Cc3nncs3)[C@@H]2C1 ZINC000930543623 639808438 /nfs/dbraw/zinc/80/84/38/639808438.db2.gz AQUGODLBFOZICE-RKDXNWHRSA-N 0 3 224.333 0.674 20 0 BCADHN CO[C@@H]1CCC[C@H]1N[C@@H]1CCN(OC)C1=O ZINC000930640123 639836823 /nfs/dbraw/zinc/83/68/23/639836823.db2.gz MRLVBWPFQAGLSC-OPRDCNLKSA-N 0 3 228.292 0.306 20 0 BCADHN Cc1cncc(CN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000930640769 639840372 /nfs/dbraw/zinc/84/03/72/639840372.db2.gz NXHQHZZKVXDMGO-PHIMTYICSA-N 0 3 245.282 0.094 20 0 BCADHN COC(=O)/C=C(\C)CN1CC[C@@H](O)[C@H]1C ZINC000930655064 639847876 /nfs/dbraw/zinc/84/78/76/639847876.db2.gz CBWODMMSFLYGBD-IZRRHEBBSA-N 0 3 213.277 0.561 20 0 BCADHN CCO[C@@H]1CCC[C@H]1N[C@@H]1CCN(OC)C1=O ZINC000930665199 639852038 /nfs/dbraw/zinc/85/20/38/639852038.db2.gz GYWSCZXPIQBJPV-GMTAPVOTSA-N 0 3 242.319 0.696 20 0 BCADHN CON1CC[C@H](N2CC[C@@H](CCCO)C2)C1=O ZINC000930675493 639859075 /nfs/dbraw/zinc/85/90/75/639859075.db2.gz MGSHBLPDCQAQCW-MNOVXSKESA-N 0 3 242.319 0.243 20 0 BCADHN CCNC(=O)C(C)(C)NCCOCCOCC ZINC000930688700 639861989 /nfs/dbraw/zinc/86/19/89/639861989.db2.gz ZPDGQOGUXSXTPM-UHFFFAOYSA-N 0 3 246.351 0.544 20 0 BCADHN CC[C@@H]1OCC[C@H]1N[C@@H]1CCN(OC)C1=O ZINC000930705543 639871405 /nfs/dbraw/zinc/87/14/05/639871405.db2.gz VEBKMDFJWLLBHD-BBBLOLIVSA-N 0 3 228.292 0.306 20 0 BCADHN CC[C@@H]1OCC[C@H]1N[C@H]1CCN(OC)C1=O ZINC000930705544 639871466 /nfs/dbraw/zinc/87/14/66/639871466.db2.gz VEBKMDFJWLLBHD-UTLUCORTSA-N 0 3 228.292 0.306 20 0 BCADHN COC/C(C)=C\CN1CC[C@H](O)[C@H](CO)C1 ZINC000930739237 639887468 /nfs/dbraw/zinc/88/74/68/639887468.db2.gz TVSCOYPFTHOBOA-HUWORAJQSA-N 0 3 229.320 0.254 20 0 BCADHN CCc1ncc(CN2CC[C@@H](C(=O)NC)C2)o1 ZINC000930752852 639897667 /nfs/dbraw/zinc/89/76/67/639897667.db2.gz WHNYPRHMZJBVOL-SECBINFHSA-N 0 3 237.303 0.805 20 0 BCADHN 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COC[C@](C)(CO)NC/C=C(/C)C(=O)OC ZINC000716801101 711584264 /nfs/dbraw/zinc/58/42/64/711584264.db2.gz CXXIFRWXOKDYSL-GWZUUTHWSA-N 0 3 231.292 0.093 20 0 BCADHN CCOC(=O)/C=C\CN(C)[C@H](CC)CO ZINC000382244797 711669852 /nfs/dbraw/zinc/66/98/52/711669852.db2.gz HFMZGNSRMSEEJE-JYESYGNLSA-N 0 3 215.293 0.808 20 0 BCADHN CC(C)(C)[C@@H](CO)NCCS(C)(=O)=O ZINC000393981789 711681264 /nfs/dbraw/zinc/68/12/64/711681264.db2.gz CBRSKOYRJXGAML-MRVPVSSYSA-N 0 3 223.338 0.028 20 0 BCADHN CN1C[C@H]2CCN(C(=O)COC(C)(C)C)[C@@H]2C1 ZINC000644821825 711732522 /nfs/dbraw/zinc/73/25/22/711732522.db2.gz HKGUZNGTLBGWKV-GHMZBOCLSA-N 0 3 240.347 0.964 20 0 BCADHN COC[C@@H](CO)NC[C@@H](O)c1ccccc1 ZINC000229182847 711759647 /nfs/dbraw/zinc/75/96/47/711759647.db2.gz KFHODOYSKJMRAA-VXGBXAGGSA-N 0 3 225.288 0.317 20 0 BCADHN CC(C)(O)[C@H]1CCN(CC(=O)N2CCC2)C1 ZINC000721797501 711769899 /nfs/dbraw/zinc/76/98/99/711769899.db2.gz FGUKFNBHPRUWSS-JTQLQIEISA-N 0 3 226.320 0.312 20 0 BCADHN C[C@H]1C[C@H](NCCF)CN1C(=O)c1cc[nH]n1 ZINC000988174707 711792932 /nfs/dbraw/zinc/79/29/32/711792932.db2.gz BJBLOMFVQVADRG-IUCAKERBSA-N 0 3 240.282 0.572 20 0 BCADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)C2CC(C)C2)C1 ZINC001076863402 711809645 /nfs/dbraw/zinc/80/96/45/711809645.db2.gz IFHUXBJFHHBCGE-KIDURHIOSA-N 0 3 240.347 0.602 20 0 BCADHN CCC[C@@H]1C[C@@H]1N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924787001 711809996 /nfs/dbraw/zinc/80/99/96/711809996.db2.gz CJUOHOBLJWXLHV-BBBLOLIVSA-N 0 3 239.319 0.657 20 0 BCADHN CCC[C@@H]1C[C@H]1N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924787002 711810062 /nfs/dbraw/zinc/81/00/62/711810062.db2.gz CJUOHOBLJWXLHV-KXUCPTDWSA-N 0 3 239.319 0.657 20 0 BCADHN CCC[C@@H]1C[C@@H]1N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924787005 711810151 /nfs/dbraw/zinc/81/01/51/711810151.db2.gz CJUOHOBLJWXLHV-UTLUCORTSA-N 0 3 239.319 0.657 20 0 BCADHN CSCC[C@@H](N)C(=O)NC[C@H](O)CC(C)C ZINC000161465391 711811732 /nfs/dbraw/zinc/81/17/32/711811732.db2.gz MDXMMCTYICQTNP-NXEZZACHSA-N 0 3 248.392 0.590 20 0 BCADHN CC(=O)C1CCN(C(=O)CNC2CC2)CC1 ZINC000083930104 711921592 /nfs/dbraw/zinc/92/15/92/711921592.db2.gz OPSHQBFQBNGFKC-UHFFFAOYSA-N 0 3 224.304 0.566 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1COCC[C@H]1OC ZINC000889193859 711927580 /nfs/dbraw/zinc/92/75/80/711927580.db2.gz ACRUXVGHGKTPNB-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)C2CC2)C1 ZINC001032847861 711963278 /nfs/dbraw/zinc/96/32/78/711963278.db2.gz FCYYZKKMNAFVCA-KOLCDFICSA-N 0 3 226.320 0.310 20 0 BCADHN CN(C(=O)C1CCC1)[C@H]1CCN(CCO)C1 ZINC001032852405 711963873 /nfs/dbraw/zinc/96/38/73/711963873.db2.gz JYZSTPZLOIFTJU-NSHDSACASA-N 0 3 226.320 0.312 20 0 BCADHN COc1cncc(CNC[C@@H]2COCCO2)c1 ZINC000700010327 711982698 /nfs/dbraw/zinc/98/26/98/711982698.db2.gz DSARWBSOKMNJAY-GFCCVEGCSA-N 0 3 238.287 0.595 20 0 BCADHN CN(CCO)CCN(C)C(=O)C1CCCC1 ZINC000701016828 712011700 /nfs/dbraw/zinc/01/17/00/712011700.db2.gz ZXCUOQTYJXFQDS-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN CC[C@]1(C)CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702349033 712045909 /nfs/dbraw/zinc/04/59/09/712045909.db2.gz FPILJHHAZJIFHD-CMPLNLGQSA-N 0 3 227.352 0.524 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCCC1CCC1 ZINC000702351057 712046454 /nfs/dbraw/zinc/04/64/54/712046454.db2.gz UEOSOJSTZQQOCW-NSHDSACASA-N 0 3 227.352 0.572 20 0 BCADHN CC(C)n1cc(NC(=O)[C@@H](N)CN(C)C)cn1 ZINC000702378309 712049543 /nfs/dbraw/zinc/04/95/43/712049543.db2.gz JNFWMFYXOANHIX-JTQLQIEISA-N 0 3 239.323 0.291 20 0 BCADHN CC[C@H]1CCCN1C(=O)[C@@H](N)CN(C)C ZINC000702388527 712049940 /nfs/dbraw/zinc/04/99/40/712049940.db2.gz ZGZMVCANLQDJBZ-UWVGGRQHSA-N 0 3 213.325 0.276 20 0 BCADHN C[C@@H]1C[C@H](C)N(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702381805 712049380 /nfs/dbraw/zinc/04/93/80/712049380.db2.gz USGMNIFKYWNMQN-UTLUCORTSA-N 0 3 213.325 0.132 20 0 BCADHN COCC[C@@H](N)C(=O)N[C@@]1(C)CC1(C)C ZINC000702414295 712051836 /nfs/dbraw/zinc/05/18/36/712051836.db2.gz VFZYVPZOPKMXCA-KCJUWKMLSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCCC2(CC2)CC1 ZINC000702486564 712052922 /nfs/dbraw/zinc/05/29/22/712052922.db2.gz YVFCXHHEHWWJNR-JTQLQIEISA-N 0 3 226.320 0.753 20 0 BCADHN COC[C@H]1CCCN1C(=O)[C@H](N)CC1CC1 ZINC000702832900 712061409 /nfs/dbraw/zinc/06/14/09/712061409.db2.gz DCDSZKDSRUKXEA-GHMZBOCLSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@H](O)CN[C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000703317518 712072015 /nfs/dbraw/zinc/07/20/15/712072015.db2.gz INJDTSWUHAEKBZ-IUCAKERBSA-N 0 3 246.307 0.508 20 0 BCADHN CN(C)CCONC(=O)c1nccnc1Cl ZINC000703292954 712070504 /nfs/dbraw/zinc/07/05/04/712070504.db2.gz GUUFMOKKLNPGAJ-UHFFFAOYSA-N 0 3 244.682 0.353 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NCC(=O)OC(C)C ZINC000704424562 712107339 /nfs/dbraw/zinc/10/73/39/712107339.db2.gz VTADSWVZDPYQMQ-SNVBAGLBSA-N 0 3 244.335 0.818 20 0 BCADHN OC[C@H]1CN(Cc2ccoc2)C[C@H]1CO ZINC000707836523 712179711 /nfs/dbraw/zinc/17/97/11/712179711.db2.gz GWCJCXGCJRKPRS-PHIMTYICSA-N 0 3 211.261 0.312 20 0 BCADHN CC(C)(CNS(C)(=O)=O)NCc1cc[nH]c1 ZINC000708333963 712188088 /nfs/dbraw/zinc/18/80/88/712188088.db2.gz HADHZUUKYQTYFJ-UHFFFAOYSA-N 0 3 245.348 0.432 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@H]1CC(C)(C)CO1 ZINC000708357355 712190836 /nfs/dbraw/zinc/19/08/36/712190836.db2.gz ZCZVPHHUYZZYJL-NXEZZACHSA-N 0 3 249.376 0.824 20 0 BCADHN COCC(=O)N1CC[C@H]2[C@H](CCN2CCF)C1 ZINC001036606192 712199338 /nfs/dbraw/zinc/19/93/38/712199338.db2.gz FIRZEOMCDMECCR-MNOVXSKESA-N 0 3 244.310 0.525 20 0 BCADHN COCC[C@@H](N)C(=O)N1CCO[C@H](C(C)C)C1 ZINC000708989796 712205100 /nfs/dbraw/zinc/20/51/00/712205100.db2.gz IBGDAFUOXZZGSR-MNOVXSKESA-N 0 3 244.335 0.234 20 0 BCADHN COC[C@H](O)CCN[C@@H](C)c1cn(C)cn1 ZINC000709986462 712237215 /nfs/dbraw/zinc/23/72/15/712237215.db2.gz FVKLULYIYCZFDE-VHSXEESVSA-N 0 3 227.308 0.468 20 0 BCADHN C[C@H](N[C@H]1CCN(C)C1)c1cn(C)cn1 ZINC000709993013 712237899 /nfs/dbraw/zinc/23/78/99/712237899.db2.gz SOMUASVYDDJQPF-UWVGGRQHSA-N 0 3 208.309 0.775 20 0 BCADHN COC1(OC)CC[C@@H]1NCCc1nc(C)no1 ZINC000710954682 712267618 /nfs/dbraw/zinc/26/76/18/712267618.db2.gz OXRPNHQENSCBSN-VIFPVBQESA-N 0 3 241.291 0.662 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@H](C)C[S@](C)=O ZINC000710966321 712269691 /nfs/dbraw/zinc/26/96/91/712269691.db2.gz ZVQMQUXLOOMSIY-OLBFVZFUSA-N 0 3 235.349 0.495 20 0 BCADHN COCCOCCN[C@H]1CCC1(OC)OC ZINC000710964753 712269695 /nfs/dbraw/zinc/26/96/95/712269695.db2.gz HDZULWSLVVQJMN-JTQLQIEISA-N 0 3 233.308 0.391 20 0 BCADHN COC1(OC)CC[C@@H]1NCCNC(=O)C(C)C ZINC000710991063 712272832 /nfs/dbraw/zinc/27/28/32/712272832.db2.gz XQYXRFUVISPRKW-JTQLQIEISA-N 0 3 244.335 0.500 20 0 BCADHN CCOCCN[C@H]1CCC1(OC)OC ZINC000710997444 712273580 /nfs/dbraw/zinc/27/35/80/712273580.db2.gz RHNLVTJJIUPXLP-VIFPVBQESA-N 0 3 203.282 0.764 20 0 BCADHN Nc1ccc(CN2CCC[C@@H](O)CC2)cn1 ZINC000378676880 712357112 /nfs/dbraw/zinc/35/71/12/712357112.db2.gz QFTFOQHGLWDVET-LLVKDONJSA-N 0 3 221.304 0.841 20 0 BCADHN OCc1cc(N2CCC[C@@H](O)CC2)ccn1 ZINC000378794102 712362190 /nfs/dbraw/zinc/36/21/90/712362190.db2.gz PJUIEOXAVXQKIE-GFCCVEGCSA-N 0 3 222.288 0.925 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)CC[C@H]1CCCCO1 ZINC000379070963 712369209 /nfs/dbraw/zinc/36/92/09/712369209.db2.gz ZWIFMHAXTQIMSH-LLVKDONJSA-N 0 3 244.335 0.945 20 0 BCADHN CO[C@H](C)CCC(=O)[N-]OCC[NH+](C)C ZINC000379158926 712370492 /nfs/dbraw/zinc/37/04/92/712370492.db2.gz LHGSUXJNNVGPSH-SECBINFHSA-N 0 3 218.297 0.411 20 0 BCADHN NC(=O)C[C@H]1CCN(C/C=C\Cl)C1 ZINC000379353503 712375596 /nfs/dbraw/zinc/37/55/96/712375596.db2.gz FQEPOOKGWZTMRE-XKKRXVNHSA-N 0 3 202.685 0.936 20 0 BCADHN CCNC(=O)CNC[C@@H]1CC1(Cl)Cl ZINC000379375402 712379277 /nfs/dbraw/zinc/37/92/77/712379277.db2.gz PJLYLDHVXGVSTB-LURJTMIESA-N 0 3 225.119 0.906 20 0 BCADHN COCCNCc1cc(Br)nn1C ZINC000379409287 712383111 /nfs/dbraw/zinc/38/31/11/712383111.db2.gz CPNQJFAFFMMHFF-UHFFFAOYSA-N 0 3 248.124 0.919 20 0 BCADHN O[C@@H]1CN(C[C@H]2CCC3(CCC3)O2)C[C@@H]1O ZINC000712496504 712431432 /nfs/dbraw/zinc/43/14/32/712431432.db2.gz MVCBGKBFYGDDQC-MXWKQRLJSA-N 0 3 227.304 0.126 20 0 BCADHN COC(=O)c1ccc(CNC[C@H]2CCN2C)o1 ZINC000712597675 712435807 /nfs/dbraw/zinc/43/58/07/712435807.db2.gz ZLMMKGUEPADQDE-SECBINFHSA-N 0 3 238.287 0.860 20 0 BCADHN C=C/C=C/CCN1CCN(C)[C@@H](CO)C1 ZINC000713644859 712468568 /nfs/dbraw/zinc/46/85/68/712468568.db2.gz LOOJLKORNSWTJW-ZYOFXKKJSA-N 0 3 210.321 0.727 20 0 BCADHN CC1(C)CCC[C@H](CNCCS(C)(=O)=O)O1 ZINC000714386985 712487041 /nfs/dbraw/zinc/48/70/41/712487041.db2.gz USQLCMAHZANKNX-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN C[C@@H](NC[C@H]1COC(C)(C)O1)C(=O)N(C)C ZINC000715065508 712505398 /nfs/dbraw/zinc/50/53/98/712505398.db2.gz IOQMCOHIWMKRRE-BDAKNGLRSA-N 0 3 230.308 0.204 20 0 BCADHN CC1(C)OC[C@H](CN[C@H]2CCCNC2=O)O1 ZINC000715083292 712507234 /nfs/dbraw/zinc/50/72/34/712507234.db2.gz WMWHTYIUPNSASO-IUCAKERBSA-N 0 3 228.292 0.006 20 0 BCADHN C[C@@H](CCO)CCN[C@H](C)c1cn(C)nn1 ZINC000715854584 712536560 /nfs/dbraw/zinc/53/65/60/712536560.db2.gz VPIVWDUHSWVOPU-NXEZZACHSA-N 0 3 226.324 0.874 20 0 BCADHN CC1(CCNCc2cnccn2)OCCO1 ZINC000715893059 712540497 /nfs/dbraw/zinc/54/04/97/712540497.db2.gz INLGEGKBIWFCJB-UHFFFAOYSA-N 0 3 223.276 0.719 20 0 BCADHN C[C@H](NC[C@@H]1CCCOC1)c1cn(C)nn1 ZINC000715915875 712542037 /nfs/dbraw/zinc/54/20/37/712542037.db2.gz WAIRKKBTBCPXHA-UWVGGRQHSA-N 0 3 224.308 0.892 20 0 BCADHN C[C@H](N[C@H]1CC[C@H](O)CC1)c1cn(C)nn1 ZINC000715924815 712542716 /nfs/dbraw/zinc/54/27/16/712542716.db2.gz WYLJCFGRYSJBHP-GUBZILKMSA-N 0 3 224.308 0.769 20 0 BCADHN C[C@H](CCCO)CN[C@H](C)c1cn(C)nn1 ZINC000715931780 712543649 /nfs/dbraw/zinc/54/36/49/712543649.db2.gz BXARUHRODQJJPG-NXEZZACHSA-N 0 3 226.324 0.874 20 0 BCADHN Cn1ccc(CNCC2OCCCO2)c1 ZINC000716381498 712557702 /nfs/dbraw/zinc/55/77/02/712557702.db2.gz ZSXDANBHNMUVMU-UHFFFAOYSA-N 0 3 210.277 0.878 20 0 BCADHN CC[C@H](CO)C(=O)N1CCNC(C)(C)C1 ZINC000379955961 712636415 /nfs/dbraw/zinc/63/64/15/712636415.db2.gz VJUWGAOFMAQDDN-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1cccc(F)c1 ZINC000717275021 712641699 /nfs/dbraw/zinc/64/16/99/712641699.db2.gz BYJKQBYMTOWMBC-KCJUWKMLSA-N 0 3 213.252 0.657 20 0 BCADHN CCn1cc([C@H](C)NC[C@@H](O)[C@H](C)O)cn1 ZINC000717309503 712646151 /nfs/dbraw/zinc/64/61/51/712646151.db2.gz USTAMTBCBLDSQD-ATZCPNFKSA-N 0 3 227.308 0.295 20 0 BCADHN Cc1cc(F)ccc1CNC[C@@H](O)[C@H](C)O ZINC000717308851 712646173 /nfs/dbraw/zinc/64/61/73/712646173.db2.gz QFXYTTPTRLDVSF-JOYOIKCWSA-N 0 3 227.279 0.965 20 0 BCADHN CCn1nc(C)c(CNC[C@@H](O)[C@H](C)O)c1C ZINC000717361161 712652167 /nfs/dbraw/zinc/65/21/67/712652167.db2.gz SZPUJMOUCDAQOP-CMPLNLGQSA-N 0 3 241.335 0.351 20 0 BCADHN O[C@H](CN1CCC[C@H]1c1nnc[nH]1)C1CC1 ZINC000931142099 712713535 /nfs/dbraw/zinc/71/35/35/712713535.db2.gz KZCLBSHXUASKSP-VHSXEESVSA-N 0 3 222.292 0.713 20 0 BCADHN COC[C@@H]1CCCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000380207905 712725238 /nfs/dbraw/zinc/72/52/38/712725238.db2.gz SUEVSBAWWDVLEI-VXGBXAGGSA-N 0 3 240.347 0.999 20 0 BCADHN CCCCN(CC(N)=O)C(=O)[C@](C)(N)CCC ZINC000037812864 712762650 /nfs/dbraw/zinc/76/26/50/712762650.db2.gz INRIUCSHTBXVEO-GFCCVEGCSA-N 0 3 243.351 0.618 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)N2CCCC2)CCN1C ZINC000719374408 712805945 /nfs/dbraw/zinc/80/59/45/712805945.db2.gz SFRGEHUJXRPVBM-ZJUUUORDSA-N 0 3 211.309 0.884 20 0 BCADHN Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H]2C)cc(=O)[n-]1 ZINC000719568865 712810107 /nfs/dbraw/zinc/81/01/07/712810107.db2.gz FZOZGVFGOGADMR-IONNQARKSA-N 0 3 222.292 0.995 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCO[C@@H](C)CC1 ZINC000720424798 712841700 /nfs/dbraw/zinc/84/17/00/712841700.db2.gz BUUVWZVGJWKWMH-RYUDHWBXSA-N 0 3 231.336 0.883 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCO[C@@H](C)CC1 ZINC000720430556 712842266 /nfs/dbraw/zinc/84/22/66/712842266.db2.gz FRQCRDNYEQIRHE-ONGXEEELSA-N 0 3 231.292 0.021 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCO[C@H](C)CC1 ZINC000720430555 712842347 /nfs/dbraw/zinc/84/23/47/712842347.db2.gz FRQCRDNYEQIRHE-MWLCHTKSSA-N 0 3 231.292 0.021 20 0 BCADHN Cc1cc(NC[C@H]2C[C@H](O)C2)nc(N)n1 ZINC000720967301 712883674 /nfs/dbraw/zinc/88/36/74/712883674.db2.gz PKNYJBVMYAMFOF-ZKCHVHJHSA-N 0 3 208.265 0.550 20 0 BCADHN CON(C)C(=O)CCN[C@@H](C)c1cn[nH]c1 ZINC000381352650 710627224 /nfs/dbraw/zinc/62/72/24/710627224.db2.gz CEIIMZFZJUWKEL-QMMMGPOBSA-N 0 3 226.280 0.470 20 0 BCADHN OC[C@@H](O)CNC1(c2cccc(F)c2)CC1 ZINC000381495777 710646860 /nfs/dbraw/zinc/64/68/60/710646860.db2.gz MGRXPJUXPNJDJM-NSHDSACASA-N 0 3 225.263 0.758 20 0 BCADHN C/C=C/C[C@H](CO)Nc1cc(C)nc(N)n1 ZINC000381568626 710657325 /nfs/dbraw/zinc/65/73/25/710657325.db2.gz UORFUEOSMYBNFQ-CDAZIORVSA-N 0 3 222.292 0.358 20 0 BCADHN O=C(c1cncnc1)N1CC[C@H](NCCF)C1 ZINC001018753605 710669108 /nfs/dbraw/zinc/66/91/08/710669108.db2.gz UKSIYGWSCMSCJA-JTQLQIEISA-N 0 3 238.266 0.250 20 0 BCADHN O=C(C1=CCOCC1)N1CC[C@H](NCCF)C1 ZINC001018757959 710669228 /nfs/dbraw/zinc/66/92/28/710669228.db2.gz WOPJDXBFKUUNEE-NSHDSACASA-N 0 3 242.294 0.493 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCc1cc[nH]n1 ZINC000393729048 710670219 /nfs/dbraw/zinc/67/02/19/710670219.db2.gz LTBJNVWIDUYIRL-SECBINFHSA-N 0 3 208.265 0.153 20 0 BCADHN CC(C)CN1CC[C@H]1CNC(=O)c1ncc[nH]1 ZINC001038224437 710680878 /nfs/dbraw/zinc/68/08/78/710680878.db2.gz HWNDSAKIYMNFNG-JTQLQIEISA-N 0 3 236.319 0.870 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@H](C(C)(C)O)C1 ZINC000721839466 710686991 /nfs/dbraw/zinc/68/69/91/710686991.db2.gz WMHOPJZCYAIBHG-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)CN1CC[C@@H]1CNC(=O)c1ccncn1 ZINC001038820727 710707233 /nfs/dbraw/zinc/70/72/33/710707233.db2.gz LPKYYJXENSQULN-LLVKDONJSA-N 0 3 248.330 0.937 20 0 BCADHN CCCN1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001038842802 710709246 /nfs/dbraw/zinc/70/92/46/710709246.db2.gz WFAVSMXRUZEGOS-QMMMGPOBSA-N 0 3 223.280 0.019 20 0 BCADHN C[C@@H](NCCO[C@@H]1CCOC1)c1cnn(C)c1 ZINC000724927347 710750723 /nfs/dbraw/zinc/75/07/23/710750723.db2.gz YISWSXZJKYERHF-ZYHUDNBSSA-N 0 3 239.319 0.876 20 0 BCADHN COc1ccncc1CNC[C@H](O)C1CC1 ZINC000393798987 710752888 /nfs/dbraw/zinc/75/28/88/710752888.db2.gz NIMHDFHXZDBCQU-NSHDSACASA-N 0 3 222.288 0.951 20 0 BCADHN CCC[C@]1(NCCS(C)(=O)=O)CCOC1 ZINC000381975202 710760814 /nfs/dbraw/zinc/76/08/14/710760814.db2.gz AAWGAUIAHJHSTG-JTQLQIEISA-N 0 3 235.349 0.580 20 0 BCADHN CCOCCC(=O)NOCCN(C)C ZINC000382070363 710773435 /nfs/dbraw/zinc/77/34/35/710773435.db2.gz FUVZVJSNDDZMHE-UHFFFAOYSA-N 0 3 204.270 0.022 20 0 BCADHN CN(C)CCONC(=O)c1ccc(C#N)o1 ZINC000382107453 710784381 /nfs/dbraw/zinc/78/43/81/710784381.db2.gz PZHSWHKUTWJRAN-UHFFFAOYSA-N 0 3 223.232 0.374 20 0 BCADHN Cc1ncc(C(=O)N(C)C2CN(CC3CC3)C2)[nH]1 ZINC001042543346 710791421 /nfs/dbraw/zinc/79/14/21/710791421.db2.gz LRPOTCBAVWEIJA-UHFFFAOYSA-N 0 3 248.330 0.884 20 0 BCADHN CCCN1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001044295897 710823150 /nfs/dbraw/zinc/82/31/50/710823150.db2.gz BHLHITJVJGRFLE-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001046120728 710849933 /nfs/dbraw/zinc/84/99/33/710849933.db2.gz JLTXKTZUBRSHDZ-CYBMUJFWSA-N 0 3 249.314 0.534 20 0 BCADHN C[C@]1(NC(=O)c2ccccc2)CCN(CCO)C1 ZINC001046107840 710849978 /nfs/dbraw/zinc/84/99/78/710849978.db2.gz NATYXFMDXLHLBD-AWEZNQCLSA-N 0 3 248.326 0.873 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cncnc2)C1 ZINC001046261890 710857133 /nfs/dbraw/zinc/85/71/33/710857133.db2.gz HPLDIMMPOYDWSL-GFCCVEGCSA-N 0 3 234.303 0.691 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2n[nH]cc2C)C1 ZINC001046305439 710859221 /nfs/dbraw/zinc/85/92/21/710859221.db2.gz JXVXAMWSWBACJW-LBPRGKRZSA-N 0 3 236.319 0.932 20 0 BCADHN COc1nccc(CN[C@H]2CCN(C)C2)n1 ZINC000395158334 710896305 /nfs/dbraw/zinc/89/63/05/710896305.db2.gz RQDUJLRACGCADG-JTQLQIEISA-N 0 3 222.292 0.279 20 0 BCADHN CC(C)C(=O)N(C)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047309476 710869761 /nfs/dbraw/zinc/86/97/61/710869761.db2.gz DQPRMLKWFMYDFQ-RYUDHWBXSA-N 0 3 240.347 0.556 20 0 BCADHN CCC[C@H](N)c1cn(Cc2cnsn2)nn1 ZINC000399748773 710912725 /nfs/dbraw/zinc/91/27/25/710912725.db2.gz FMAHJQPQPARSSS-QMMMGPOBSA-N 0 3 238.320 0.978 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384595648 710922884 /nfs/dbraw/zinc/92/28/84/710922884.db2.gz NAKGFCGRHCCKEK-OPRDCNLKSA-N 0 3 235.349 0.577 20 0 BCADHN CC(=O)N1C[C@@H](C)[C@H](NCc2cnn(C)c2)C1 ZINC001054300975 710925743 /nfs/dbraw/zinc/92/57/43/710925743.db2.gz XCFUIGBZDHBKQM-BXKDBHETSA-N 0 3 236.319 0.377 20 0 BCADHN CCN(CC(=O)N(C)C)C(=O)[C@H](N)CC1CC1 ZINC000383807974 710945323 /nfs/dbraw/zinc/94/53/23/710945323.db2.gz PDQUXVDYAHXGMX-SNVBAGLBSA-N 0 3 241.335 0.051 20 0 BCADHN COCC[C@H](N)C(=O)N1C[C@H](C)CC1(C)C ZINC000380596183 712901885 /nfs/dbraw/zinc/90/18/85/712901885.db2.gz XPHNEOLKMSMILI-ZJUUUORDSA-N 0 3 228.336 0.997 20 0 BCADHN CCN(CC(=O)N(C)C)C(=O)[C@@H](C)NC1CC1 ZINC000382957604 710975474 /nfs/dbraw/zinc/97/54/74/710975474.db2.gz NLGMYOVKURDGOX-SECBINFHSA-N 0 3 241.335 0.064 20 0 BCADHN Cc1ncc(NC(=O)[C@@H](N)CC2CC2)cn1 ZINC000384146434 710990472 /nfs/dbraw/zinc/99/04/72/710990472.db2.gz FSUUPDIPLCHZBD-JTQLQIEISA-N 0 3 220.276 0.851 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H](N)CC2CC2)[C@H](C)O1 ZINC000384678293 710996189 /nfs/dbraw/zinc/99/61/89/710996189.db2.gz ZWJLFWAAQLNCES-IFFSRLJSSA-N 0 3 226.320 0.796 20 0 BCADHN COCC[C@H](N)C(=O)N1CC[C@@H](C)[C@H]1C ZINC000380623709 712902154 /nfs/dbraw/zinc/90/21/54/712902154.db2.gz BJJKTVZPNKEGST-BBBLOLIVSA-N 0 3 214.309 0.607 20 0 BCADHN N[C@H](CC1CC1)C(=O)NC[C@H](O)c1ccccc1 ZINC000385548034 711014275 /nfs/dbraw/zinc/01/42/75/711014275.db2.gz OUVKEZUUNBWJIM-OLZOCXBDSA-N 0 3 248.326 0.964 20 0 BCADHN COC(=O)/C(C)=C/CN1C[C@H](C)[C@H](O)C1 ZINC000388252718 711055060 /nfs/dbraw/zinc/05/50/60/711055060.db2.gz VOZFJODRVSTZJD-GNKRQNHBSA-N 0 3 213.277 0.418 20 0 BCADHN CCn1cc(CN2C[C@H](C)[C@H](O)C2)cn1 ZINC000387857722 711047606 /nfs/dbraw/zinc/04/76/06/711047606.db2.gz KTSIDWNPZKZEKD-GXSJLCMTSA-N 0 3 209.293 0.716 20 0 BCADHN C[C@H]1CN(Cc2ccc(N)nc2)C[C@@H]1O ZINC000388081192 711051682 /nfs/dbraw/zinc/05/16/82/711051682.db2.gz MGFBIVAQBMPJMH-WPRPVWTQSA-N 0 3 207.277 0.307 20 0 BCADHN CC(C)N1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000070878438 711063355 /nfs/dbraw/zinc/06/33/55/711063355.db2.gz OLVFBBGDJJUNTN-MNOVXSKESA-N 0 3 226.320 0.764 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CCN(C(C)C)C2)[nH]n1 ZINC000070855295 711063428 /nfs/dbraw/zinc/06/34/28/711063428.db2.gz GGGXAJPJQIZZLC-JTQLQIEISA-N 0 3 236.319 0.931 20 0 BCADHN COC(=O)/C(C)=C\CN1CC[C@H](C)[C@H]1CO ZINC000380776262 712903046 /nfs/dbraw/zinc/90/30/46/712903046.db2.gz ZVSUBYCMZJBNKL-QEBWYVITSA-N 0 3 227.304 0.808 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)[C@@H](N)CC1CC1 ZINC000389657655 711085354 /nfs/dbraw/zinc/08/53/54/711085354.db2.gz ZPTRCVCKVSKTAE-SCZZXKLOSA-N 0 3 214.309 0.343 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@H](N)CC1CC1 ZINC000389657656 711085458 /nfs/dbraw/zinc/08/54/58/711085458.db2.gz ZPTRCVCKVSKTAE-WCBMZHEXSA-N 0 3 214.309 0.343 20 0 BCADHN CN(C)C(=O)CCCNC(=O)[C@@H](N)CC1CC1 ZINC000390394223 711115227 /nfs/dbraw/zinc/11/52/27/711115227.db2.gz RAIZVWXFITXENA-JTQLQIEISA-N 0 3 241.335 0.098 20 0 BCADHN OCC[C@H](NC[C@H](O)CO)c1ccccc1 ZINC000390747678 711132526 /nfs/dbraw/zinc/13/25/26/711132526.db2.gz BCDNGSPVMOZNFM-RYUDHWBXSA-N 0 3 225.288 0.053 20 0 BCADHN CCN1C[C@@H](NCc2cnc[nH]2)CC1=O ZINC000391610028 711140652 /nfs/dbraw/zinc/14/06/52/711140652.db2.gz NFNGOQKJOAVGGT-QMMMGPOBSA-N 0 3 208.265 0.120 20 0 BCADHN CCC[C@@]1(NCCS(=O)(=O)CC)CCOC1 ZINC000393520967 711161764 /nfs/dbraw/zinc/16/17/64/711161764.db2.gz OQQGTMLWTPYDEP-LLVKDONJSA-N 0 3 249.376 0.970 20 0 BCADHN Cc1ccc(O)cc1C(=O)NOCCN(C)C ZINC000393935738 711179496 /nfs/dbraw/zinc/17/94/96/711179496.db2.gz RYBYSSDIOIJADW-UHFFFAOYSA-N 0 3 238.287 0.924 20 0 BCADHN COCCN1C[C@H](NC(C)=O)CC[C@H]1C ZINC001071286511 711185159 /nfs/dbraw/zinc/18/51/59/711185159.db2.gz WGPUJXXIFWPXGQ-MWLCHTKSSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1CC[C@@H](NC(=O)C2CC2)CN1CCO ZINC001071297813 711186239 /nfs/dbraw/zinc/18/62/39/711186239.db2.gz XFDCMAKSIPWJGZ-MWLCHTKSSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@H]1CC[C@H](NC(=O)CC2CC2)CN1CCO ZINC001071309495 711187006 /nfs/dbraw/zinc/18/70/06/711187006.db2.gz BBUAUEKRVGRVEL-PWSUYJOCSA-N 0 3 240.347 0.748 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@@H](OC)C(C)C ZINC000394459416 711192802 /nfs/dbraw/zinc/19/28/02/711192802.db2.gz KOMBLLRWSLMKMX-VHSXEESVSA-N 0 3 232.324 0.137 20 0 BCADHN Cn1nncc1CNC[C@H](O)CC1CCCC1 ZINC000395075162 711201464 /nfs/dbraw/zinc/20/14/64/711201464.db2.gz NWVBUWJKZHFKOA-GFCCVEGCSA-N 0 3 238.335 0.846 20 0 BCADHN OC[C@@H]1CN(Cc2ccsc2)CC[C@@H]1O ZINC000396893828 711371846 /nfs/dbraw/zinc/37/18/46/711371846.db2.gz RNBVKMDPVYGNQU-QWRGUYRKSA-N 0 3 227.329 0.923 20 0 BCADHN CON(C)C(=O)CNC[C@H]1CCC=CO1 ZINC000397520665 711384345 /nfs/dbraw/zinc/38/43/45/711384345.db2.gz DLRWOBQWVWNMFI-SECBINFHSA-N 0 3 214.265 0.289 20 0 BCADHN Cc1cc(NC[C@H]2CC[C@H](C)O2)nc(N)n1 ZINC000397950567 711398198 /nfs/dbraw/zinc/39/81/98/711398198.db2.gz OXWNYVXQZREPIW-DTWKUNHWSA-N 0 3 222.292 0.599 20 0 BCADHN CO[C@@H]1C[C@H](NCc2cn[nH]n2)C12CCC2 ZINC000398399518 711408971 /nfs/dbraw/zinc/40/89/71/711408971.db2.gz MGMDLRPTWAJRLN-VHSXEESVSA-N 0 3 222.292 0.852 20 0 BCADHN C[C@@H](O)C[C@H](C)CNCc1cnccn1 ZINC000398677022 711414439 /nfs/dbraw/zinc/41/44/39/711414439.db2.gz KRZJUNMTYXJLRE-VHSXEESVSA-N 0 3 209.293 0.973 20 0 BCADHN C[C@H](O)C[C@H](C)CNCc1cnccn1 ZINC000398677021 711415210 /nfs/dbraw/zinc/41/52/10/711415210.db2.gz KRZJUNMTYXJLRE-UWVGGRQHSA-N 0 3 209.293 0.973 20 0 BCADHN CN(C[C@H]1CCOC1)C(=O)[C@@H](N)CC1CC1 ZINC000398868936 711415497 /nfs/dbraw/zinc/41/54/97/711415497.db2.gz OOFMIGWFBPHELU-MNOVXSKESA-N 0 3 226.320 0.609 20 0 BCADHN COC(=O)[C@H](C)CN(C)CC[S@](C)=O ZINC000398798806 711416510 /nfs/dbraw/zinc/41/65/10/711416510.db2.gz ANASOOAYVQPGOS-CLAHSXSESA-N 0 3 221.322 0.106 20 0 BCADHN Cc1cc(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)nc(N)n1 ZINC000399062397 711419017 /nfs/dbraw/zinc/41/90/17/711419017.db2.gz JJPRBGVOFCHWGL-AXFHLTTASA-N 0 3 248.330 0.795 20 0 BCADHN CC[C@H](N)c1cn(Cc2cnsn2)nn1 ZINC000399785913 711435275 /nfs/dbraw/zinc/43/52/75/711435275.db2.gz NICXMEZOILNMNO-ZETCQYMHSA-N 0 3 224.293 0.588 20 0 BCADHN COC(=O)CC(C)(C)NCC(=O)N1CCC1 ZINC000381151283 710605681 /nfs/dbraw/zinc/60/56/81/710605681.db2.gz ATDQATGIZNPUKO-UHFFFAOYSA-N 0 3 228.292 0.150 20 0 BCADHN C/C=C(\C)C(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001018692156 710667547 /nfs/dbraw/zinc/66/75/47/710667547.db2.gz DANNWKALMUJTFJ-PIOFTHJTSA-N 0 3 239.319 0.017 20 0 BCADHN O[C@@H]1CCCN(CCO[C@H]2CCOC2)C1 ZINC000724974516 710751303 /nfs/dbraw/zinc/75/13/03/710751303.db2.gz BWDFEUMDYGUMIW-MNOVXSKESA-N 0 3 215.293 0.249 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2ccon2)C1 ZINC001046172264 710851958 /nfs/dbraw/zinc/85/19/58/710851958.db2.gz XTBREPFKUMYSIQ-LLVKDONJSA-N 0 3 223.276 0.889 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cc(C)n[nH]2)C1 ZINC001046172634 710852767 /nfs/dbraw/zinc/85/27/67/710852767.db2.gz DWRVNPNVJBZJNY-GFCCVEGCSA-N 0 3 236.319 0.932 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cn(C)cn2)C1 ZINC001046243570 710856395 /nfs/dbraw/zinc/85/63/95/710856395.db2.gz FJFLQCLMFTULSI-GFCCVEGCSA-N 0 3 236.319 0.634 20 0 BCADHN C[C@@]1(NC(=O)c2cc[nH]c2)CCN(CCO)C1 ZINC001046343514 710859978 /nfs/dbraw/zinc/85/99/78/710859978.db2.gz ZEOQYEUFTKPRFI-GFCCVEGCSA-N 0 3 237.303 0.201 20 0 BCADHN Cc1cc(N[C@@H]2C[C@H](C)O[C@H]2C)nc(N)n1 ZINC000384609454 710934718 /nfs/dbraw/zinc/93/47/18/710934718.db2.gz OUKWNHYXQRFUHA-XHNCKOQMSA-N 0 3 222.292 0.597 20 0 BCADHN C[C@H](C[C@@H]1CCC(=O)N1)NCc1nccn1C ZINC000383284338 710979164 /nfs/dbraw/zinc/97/91/64/710979164.db2.gz LRVMKLASMFRTIB-ZJUUUORDSA-N 0 3 236.319 0.567 20 0 BCADHN CCN(CC(F)F)C(=O)[C@H](N)CCOC ZINC000386547053 711032902 /nfs/dbraw/zinc/03/29/02/711032902.db2.gz KZDDMARUHLJIOI-SSDOTTSWSA-N 0 3 224.251 0.464 20 0 BCADHN C[C@@H](N)c1cn(CCC2(O)CCC2)nn1 ZINC000396776517 711370379 /nfs/dbraw/zinc/37/03/79/711370379.db2.gz OUWGFGAPHWENSX-MRVPVSSYSA-N 0 3 210.281 0.603 20 0 BCADHN OC[C@H]1CN(Cc2ccsc2)CC[C@@H]1O ZINC000396893826 711372054 /nfs/dbraw/zinc/37/20/54/711372054.db2.gz RNBVKMDPVYGNQU-MNOVXSKESA-N 0 3 227.329 0.923 20 0 BCADHN CO[C@H](C)[C@H](C)NCC(=O)N(C)OC ZINC000397469921 711383169 /nfs/dbraw/zinc/38/31/69/711383169.db2.gz UTSUXKZTJDNIAE-JGVFFNPUSA-N 0 3 204.270 0.019 20 0 BCADHN Cc1cnccc1CCNCCS(C)(=O)=O ZINC000397535863 711385619 /nfs/dbraw/zinc/38/56/19/711385619.db2.gz PVHYHDICWYGMRN-UHFFFAOYSA-N 0 3 242.344 0.567 20 0 BCADHN CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H](N)CCOC ZINC000399537131 711431520 /nfs/dbraw/zinc/43/15/20/711431520.db2.gz VJMQIRPPIITIQK-AXFHLTTASA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@H](N)CCOC ZINC000399537132 711431786 /nfs/dbraw/zinc/43/17/86/711431786.db2.gz VJMQIRPPIITIQK-GMTAPVOTSA-N 0 3 228.336 0.997 20 0 BCADHN CCN1CC([C@@H](C)NC(=O)C2=COCCO2)C1 ZINC000969247123 711453543 /nfs/dbraw/zinc/45/35/43/711453543.db2.gz TUBJQLBUVRBFGN-SECBINFHSA-N 0 3 240.303 0.331 20 0 BCADHN C[C@H]1CCC[C@@H](N(C)CCS(N)(=O)=O)C1 ZINC000077250999 711464903 /nfs/dbraw/zinc/46/49/03/711464903.db2.gz YQNAXMMDUORQDM-VHSXEESVSA-N 0 3 234.365 0.785 20 0 BCADHN C[C@H]1CCCN(CCS(N)(=O)=O)CC1 ZINC000077272290 711464906 /nfs/dbraw/zinc/46/49/06/711464906.db2.gz LZSJPWPWGKRXRG-VIFPVBQESA-N 0 3 220.338 0.397 20 0 BCADHN C[C@H]1COC[C@@H]1NCc1cnc2n1CCOC2 ZINC000722875953 711485408 /nfs/dbraw/zinc/48/54/08/711485408.db2.gz TXSORWKBOHVCAD-ONGXEEELSA-N 0 3 237.303 0.538 20 0 BCADHN CCC[C@H](CNCCS(C)(=O)=O)OC ZINC000393514943 711558028 /nfs/dbraw/zinc/55/80/28/711558028.db2.gz ZXKXXDRQIDHMAX-SECBINFHSA-N 0 3 223.338 0.436 20 0 BCADHN Cc1cnc(CNCCC(N)=O)c(C)c1 ZINC000724098638 711560347 /nfs/dbraw/zinc/56/03/47/711560347.db2.gz RSBMMWFHDWUETA-UHFFFAOYSA-N 0 3 207.277 0.663 20 0 BCADHN COC[C@](C)(CO)NC/C=C(\C)C(=O)OC ZINC000716801103 711584125 /nfs/dbraw/zinc/58/41/25/711584125.db2.gz CXXIFRWXOKDYSL-NKLKJHRZSA-N 0 3 231.292 0.093 20 0 BCADHN CO[C@H](C)[C@H](C)NCCS(=O)(=O)C(C)C ZINC000309122808 711591912 /nfs/dbraw/zinc/59/19/12/711591912.db2.gz UYTLOMMITMPAKN-VHSXEESVSA-N 0 3 237.365 0.823 20 0 BCADHN Cc1[nH]ncc1CN(C)CCS(C)(=O)=O ZINC000724785652 711614830 /nfs/dbraw/zinc/61/48/30/711614830.db2.gz CGQNSMZKKUMSEP-UHFFFAOYSA-N 0 3 231.321 0.195 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](O)c1c(F)cccc1F ZINC000161761161 711618229 /nfs/dbraw/zinc/61/82/29/711618229.db2.gz FNUZRNDPEHXKDB-HZGVNTEJSA-N 0 3 244.241 0.462 20 0 BCADHN CO[C@@H]1CCOC[C@H]1NCc1cccn1C ZINC000724870118 711622160 /nfs/dbraw/zinc/62/21/60/711622160.db2.gz QAKAGGZKYGIDHW-VXGBXAGGSA-N 0 3 224.304 0.919 20 0 BCADHN CSCc1ccc(CNC(CO)CO)cc1 ZINC000725115639 711652366 /nfs/dbraw/zinc/65/23/66/711652366.db2.gz WSFDTOKXZJGBBC-UHFFFAOYSA-N 0 3 241.356 0.992 20 0 BCADHN CCOC(=O)/C=C\CN(C)[C@@H](CC)CO ZINC000382244796 711669918 /nfs/dbraw/zinc/66/99/18/711669918.db2.gz HFMZGNSRMSEEJE-GFVADAIESA-N 0 3 215.293 0.808 20 0 BCADHN O=C(C[C@H]1CNCCO1)NCCC1CCC1 ZINC000158301675 711674381 /nfs/dbraw/zinc/67/43/81/711674381.db2.gz YBVJUJVBFSMWSQ-NSHDSACASA-N 0 3 226.320 0.671 20 0 BCADHN CN1CCC[C@H]1Cn1cnc(C#N)c1C#N ZINC000395413026 711694530 /nfs/dbraw/zinc/69/45/30/711694530.db2.gz IRLMETGJHUKICT-VIFPVBQESA-N 0 3 215.260 0.721 20 0 BCADHN 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20 0 BCADHN CC(C)CN1CC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001038072791 711886267 /nfs/dbraw/zinc/88/62/67/711886267.db2.gz SVGBYGMTAQDWGU-NSHDSACASA-N 0 3 236.319 0.870 20 0 BCADHN CCN1CC(CNC(=O)[C@@H]2C[C@]23CCOC3)C1 ZINC001032113345 711902792 /nfs/dbraw/zinc/90/27/92/711902792.db2.gz CCDMLHZIWUOZPX-AAEUAGOBSA-N 0 3 238.331 0.481 20 0 BCADHN CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1ncc[nH]1 ZINC001032701786 711933096 /nfs/dbraw/zinc/93/30/96/711933096.db2.gz HTSJXQMGGCGMPI-QWRGUYRKSA-N 0 3 248.330 0.646 20 0 BCADHN CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1 ZINC001032815481 711944867 /nfs/dbraw/zinc/94/48/67/711944867.db2.gz AXLJHTREKMCLTN-RYUDHWBXSA-N 0 3 248.330 0.578 20 0 BCADHN O=C(CNCc1cc[nH]c(=O)c1)NCC1CC1 ZINC000921973853 711950960 /nfs/dbraw/zinc/95/09/60/711950960.db2.gz LVGRFCRUBFLQJI-UHFFFAOYSA-N 0 3 235.287 0.403 20 0 BCADHN O=C(NC1CCN(CCO)CC1)[C@@H]1CC1(F)F ZINC001002751833 711951052 /nfs/dbraw/zinc/95/10/52/711951052.db2.gz HWZBTEQMUBFYPK-VIFPVBQESA-N 0 3 248.273 0.215 20 0 BCADHN CC(C)N(C)S(=O)(=O)NC[C@H](C)N(C)C ZINC000451927234 711953952 /nfs/dbraw/zinc/95/39/52/711953952.db2.gz JBEJCVSSDUAZEP-VIFPVBQESA-N 0 3 237.369 0.111 20 0 BCADHN CONC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000922042530 711954380 /nfs/dbraw/zinc/95/43/80/711954380.db2.gz PLCRGQUWPJCCOV-JTQLQIEISA-N 0 3 243.307 0.100 20 0 BCADHN CCCN1CC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001038091624 711959671 /nfs/dbraw/zinc/95/96/71/711959671.db2.gz GKVACTTZTBIZGS-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)C2CC2)C1 ZINC001032847854 711962843 /nfs/dbraw/zinc/96/28/43/711962843.db2.gz FCYYZKKMNAFVCA-GXSJLCMTSA-N 0 3 226.320 0.310 20 0 BCADHN CC(C)C(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001032921210 711968225 /nfs/dbraw/zinc/96/82/25/711968225.db2.gz FPFYRNMXFFOYRW-JTQLQIEISA-N 0 3 214.309 0.167 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2cnsn2)C1 ZINC001032930206 711969355 /nfs/dbraw/zinc/96/93/55/711969355.db2.gz GRZNNMFULBVASV-MRVPVSSYSA-N 0 3 240.332 0.704 20 0 BCADHN CN(C(=O)C1CC=CC1)[C@@H]1CCN(CCO)C1 ZINC001032981854 711969886 /nfs/dbraw/zinc/96/98/86/711969886.db2.gz QHTQAXGKMSZVQV-GFCCVEGCSA-N 0 3 238.331 0.478 20 0 BCADHN Cn1cnc(CNCC2CC3(C2)OCCO3)c1 ZINC000922796408 711976856 /nfs/dbraw/zinc/97/68/56/711976856.db2.gz BIXWOFLIWKXKNV-UHFFFAOYSA-N 0 3 237.303 0.663 20 0 BCADHN c1c[nH]c(CNCC2CC3(C2)OCCO3)n1 ZINC000922798276 711976858 /nfs/dbraw/zinc/97/68/58/711976858.db2.gz KBWCPZQBJKUBJE-UHFFFAOYSA-N 0 3 223.276 0.652 20 0 BCADHN COc1cncc(CN[C@@H](C)CC(N)=O)c1 ZINC000700015686 711982190 /nfs/dbraw/zinc/98/21/90/711982190.db2.gz DISXQDHVGINNBK-QMMMGPOBSA-N 0 3 223.276 0.444 20 0 BCADHN CN(C(=O)C1(C)CCC1)[C@@H]1CCN(CCO)C1 ZINC001033326354 711983646 /nfs/dbraw/zinc/98/36/46/711983646.db2.gz NLOZQQNTMWTTQQ-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN COc1cncc(CN[C@H]2CCC(=O)N(C)C2)c1 ZINC000700056043 711984920 /nfs/dbraw/zinc/98/49/20/711984920.db2.gz IUAFHCXXFJROKK-NSHDSACASA-N 0 3 249.314 0.801 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)[C@@]2(F)CCOC2)C1 ZINC001033367565 711987315 /nfs/dbraw/zinc/98/73/15/711987315.db2.gz GRGJTFFQLJMLGS-ZYHUDNBSSA-N 0 3 244.310 0.668 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2n[nH]cc2F)C1 ZINC001033397983 711989066 /nfs/dbraw/zinc/98/90/66/711989066.db2.gz WDOMMCGSJLNGCB-MRVPVSSYSA-N 0 3 240.282 0.715 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2n[nH]cc2F)C1 ZINC001033397984 711989194 /nfs/dbraw/zinc/98/91/94/711989194.db2.gz WDOMMCGSJLNGCB-QMMMGPOBSA-N 0 3 240.282 0.715 20 0 BCADHN C[C@@H]1CCN(CC[S@](C)=O)C[C@H]1CO ZINC000700394138 711991255 /nfs/dbraw/zinc/99/12/55/711991255.db2.gz RWMVONINFJVTFE-BFVZDQMLSA-N 0 3 219.350 0.315 20 0 BCADHN CN(C(=O)[C@@H]1CC12CC2)[C@@H]1CCN(CCO)C1 ZINC001033456651 711992194 /nfs/dbraw/zinc/99/21/94/711992194.db2.gz PDFYMKKXWJSTGZ-MNOVXSKESA-N 0 3 238.331 0.312 20 0 BCADHN CC(C)N1CC[C@H](N(C)C(=O)c2cnon2)C1 ZINC001033526218 711999637 /nfs/dbraw/zinc/99/96/37/711999637.db2.gz KMKIIRDBBHDCCT-VIFPVBQESA-N 0 3 238.291 0.624 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2cnon2)C1 ZINC001033517632 711999709 /nfs/dbraw/zinc/99/97/09/711999709.db2.gz HJDLGYMZVLXDNI-MRVPVSSYSA-N 0 3 224.264 0.236 20 0 BCADHN CN(C(=O)C(C)(C)C)[C@@H]1CCN(CCO)C1 ZINC001033608745 712008337 /nfs/dbraw/zinc/00/83/37/712008337.db2.gz CYJCFJULIYDOIH-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN CCCCSCC(=O)NC[C@H]1CNCCO1 ZINC000701012659 712011741 /nfs/dbraw/zinc/01/17/41/712011741.db2.gz MERUVVJEPXAKPV-SNVBAGLBSA-N 0 3 246.376 0.624 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2nonc2C)C1 ZINC001033706261 712014450 /nfs/dbraw/zinc/01/44/50/712014450.db2.gz PFBNVSVSITUYLL-VIFPVBQESA-N 0 3 238.291 0.544 20 0 BCADHN COCC[C@H](N)C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000701105401 712015746 /nfs/dbraw/zinc/01/57/46/712015746.db2.gz HZGXXTZFWKWGKA-QHZLYTNSSA-N 0 3 244.335 0.278 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C/c2cnn(C)c2)[C@H](C)CN1 ZINC000701388913 712022236 /nfs/dbraw/zinc/02/22/36/712022236.db2.gz RWHRISDTUXJBID-XKFHPXPTSA-N 0 3 248.330 0.642 20 0 BCADHN CCO[C@H]1CCN(CC(OC)OC)C1 ZINC000701692735 712027965 /nfs/dbraw/zinc/02/79/65/712027965.db2.gz JPXIMTINCTZJPS-VIFPVBQESA-N 0 3 203.282 0.716 20 0 BCADHN CCO[C@H]1CCN(c2cc(C)nc(N)n2)C1 ZINC000701821570 712030100 /nfs/dbraw/zinc/03/01/00/712030100.db2.gz JMRABWGWSJDHAE-VIFPVBQESA-N 0 3 222.292 0.982 20 0 BCADHN CCc1ccccc1CNC(=O)[C@@H](N)CN(C)C ZINC000702339792 712047971 /nfs/dbraw/zinc/04/79/71/712047971.db2.gz GSOGPJKWDFRPMQ-ZDUSSCGKSA-N 0 3 249.358 0.754 20 0 BCADHN C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702331394 712048079 /nfs/dbraw/zinc/04/80/79/712048079.db2.gz ZRXGEFLWZGEMGU-MXWKQRLJSA-N 0 3 227.352 0.380 20 0 BCADHN CSC[C@H]1CCCN1C(=O)[C@@H](N)CN(C)C ZINC000702397660 712048639 /nfs/dbraw/zinc/04/86/39/712048639.db2.gz QMDMFVCYAGLYIO-ZJUUUORDSA-N 0 3 245.392 0.229 20 0 BCADHN CC[C@H](C)CN(CC)C(=O)[C@@H](N)CN(C)C ZINC000702370647 712049405 /nfs/dbraw/zinc/04/94/05/712049405.db2.gz HSTOVXYJPMACHL-QWRGUYRKSA-N 0 3 229.368 0.770 20 0 BCADHN CCSC1(CNC(=O)[C@@H](N)CN(C)C)CC1 ZINC000702393455 712049996 /nfs/dbraw/zinc/04/99/96/712049996.db2.gz ZWADVWXUZCGPON-VIFPVBQESA-N 0 3 245.392 0.277 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCc1cccs1 ZINC000702408064 712051098 /nfs/dbraw/zinc/05/10/98/712051098.db2.gz IPJMKYHUZFMNDC-VIFPVBQESA-N 0 3 227.333 0.253 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccc(F)cc1F ZINC000702417275 712051762 /nfs/dbraw/zinc/05/17/62/712051762.db2.gz NYLJAXKFEHOTJZ-VIFPVBQESA-N 0 3 243.257 0.792 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000702427191 712052267 /nfs/dbraw/zinc/05/22/67/712052267.db2.gz FETLVQDDRYXTBF-RWMBFGLXSA-N 0 3 247.342 0.548 20 0 BCADHN CO[C@@](C)(CO)CNCc1cc(C)nn1C ZINC000702481047 712053345 /nfs/dbraw/zinc/05/33/45/712053345.db2.gz BLYWCHVSHAEQJT-LLVKDONJSA-N 0 3 227.308 0.216 20 0 BCADHN CO[C@](C)(CO)CNCc1cnc(C)s1 ZINC000702528462 712054228 /nfs/dbraw/zinc/05/42/28/712054228.db2.gz NYYDBCPSXYPLJM-JTQLQIEISA-N 0 3 230.333 0.939 20 0 BCADHN Cc1cc(NCCOCCF)nc(N)n1 ZINC000702559559 712055214 /nfs/dbraw/zinc/05/52/14/712055214.db2.gz JJLBHABNUFHRQL-UHFFFAOYSA-N 0 3 214.244 0.765 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCCOCCF ZINC000702554187 712055248 /nfs/dbraw/zinc/05/52/48/712055248.db2.gz DYHMKVAEEIJVCS-VIFPVBQESA-N 0 3 218.272 0.216 20 0 BCADHN Cc1cc(CNCCOCCF)n(C)n1 ZINC000702568407 712055725 /nfs/dbraw/zinc/05/57/25/712055725.db2.gz DBNYGUOGDVWRGP-UHFFFAOYSA-N 0 3 215.272 0.804 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1Cc1ccc(N)nn1 ZINC000703967097 712096913 /nfs/dbraw/zinc/09/69/13/712096913.db2.gz HJLLINWHOFBWBB-ONGXEEELSA-N 0 3 236.319 0.794 20 0 BCADHN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(N)nn1 ZINC000703967096 712096984 /nfs/dbraw/zinc/09/69/84/712096984.db2.gz HJLLINWHOFBWBB-MWLCHTKSSA-N 0 3 236.319 0.794 20 0 BCADHN C[C@@H](N)C(=O)NCC[C@H]1CCSC1 ZINC000704770398 712115375 /nfs/dbraw/zinc/11/53/75/712115375.db2.gz PPOUHSDICICSFH-SFYZADRCSA-N 0 3 202.323 0.593 20 0 BCADHN NC1(C(=O)NCC[C@H]2CCSC2)CC1 ZINC000704771245 712116519 /nfs/dbraw/zinc/11/65/19/712116519.db2.gz UUWHWNPGEBTOLZ-QMMMGPOBSA-N 0 3 214.334 0.737 20 0 BCADHN CCC[C@@H](CNC(=O)[C@@H](N)CN(C)C)OCC ZINC000705304622 712127787 /nfs/dbraw/zinc/12/77/87/712127787.db2.gz OHARNJJXRDDXAM-QWRGUYRKSA-N 0 3 245.367 0.197 20 0 BCADHN COc1ccc(NC(=O)[C@@H](N)CN(C)C)cc1 ZINC000705352912 712129978 /nfs/dbraw/zinc/12/99/78/712129978.db2.gz NSSODDASHQBQET-NSHDSACASA-N 0 3 237.303 0.523 20 0 BCADHN CCSCC[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000705393908 712130152 /nfs/dbraw/zinc/13/01/52/712130152.db2.gz MJCWFXVQSJGZSJ-ZJUUUORDSA-N 0 3 247.408 0.523 20 0 BCADHN Cc1cccc(CN2C[C@H](CO)[C@H](CO)C2)n1 ZINC000705378645 712130329 /nfs/dbraw/zinc/13/03/29/712130329.db2.gz ZFGHYLWDWSPADF-TXEJJXNPSA-N 0 3 236.315 0.423 20 0 BCADHN C[C@@H](CCC1CC1)NC(=O)[C@@H](N)CN(C)C ZINC000705406475 712131371 /nfs/dbraw/zinc/13/13/71/712131371.db2.gz PSJVZQNLYVVMGP-ONGXEEELSA-N 0 3 227.352 0.570 20 0 BCADHN CC1(C)C[C@@]1(C)NS(=O)(=O)C1CNC1 ZINC000705418436 712131419 /nfs/dbraw/zinc/13/14/19/712131419.db2.gz GXGLERKITMPBJO-SECBINFHSA-N 0 3 218.322 0.066 20 0 BCADHN NC(C(=O)N[C@@H]1C=CCC1)C(F)(F)F ZINC000705540781 712132496 /nfs/dbraw/zinc/13/24/96/712132496.db2.gz TXFYBYCGKVZBRC-PHDIDXHHSA-N 0 3 208.183 0.711 20 0 BCADHN CC(=O)N1CCC2(CN(C[C@H](C)O)C2)CC1 ZINC001035629201 712138296 /nfs/dbraw/zinc/13/82/96/712138296.db2.gz YTIBKAZZKYPYKC-JTQLQIEISA-N 0 3 226.320 0.312 20 0 BCADHN CCCC(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035635451 712138444 /nfs/dbraw/zinc/13/84/44/712138444.db2.gz FWQUQCWLCPNNBR-UHFFFAOYSA-N 0 3 240.347 0.703 20 0 BCADHN COCC1(N(C)C(=O)[C@H](N)CC2CC2)CC1 ZINC000706331082 712143691 /nfs/dbraw/zinc/14/36/91/712143691.db2.gz OFWROFGXUPBUAJ-SNVBAGLBSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@H]1CN(c2ccncc2CO)C[C@@H]1O ZINC000387863586 712147589 /nfs/dbraw/zinc/14/75/89/712147589.db2.gz IBBBSSDOBDMMNU-KWQFWETISA-N 0 3 208.261 0.391 20 0 BCADHN CO[C@@H](CN)C(=O)NCC[C@H]1CC=CCC1 ZINC000706924856 712161117 /nfs/dbraw/zinc/16/11/17/712161117.db2.gz ZOLLRMNEINFQKN-QWRGUYRKSA-N 0 3 226.320 0.823 20 0 BCADHN C[C@H]1CC(=O)NCCN1CCC1OCCCO1 ZINC000707162731 712166222 /nfs/dbraw/zinc/16/62/22/712166222.db2.gz MOYYSQUXBLIBOO-JTQLQIEISA-N 0 3 242.319 0.350 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@H](N)CC1CC1 ZINC000707275927 712166672 /nfs/dbraw/zinc/16/66/72/712166672.db2.gz GHDNZTSTPYTHSS-SECBINFHSA-N 0 3 228.292 0.135 20 0 BCADHN CCN(CCCCC(=O)OC)CC(=O)NC ZINC000707468529 712170832 /nfs/dbraw/zinc/17/08/32/712170832.db2.gz FJOYRHABGUENGV-UHFFFAOYSA-N 0 3 230.308 0.398 20 0 BCADHN Cn1nncc1CNC[C@H]1CC(C)(C)CO1 ZINC000708383042 712192051 /nfs/dbraw/zinc/19/20/51/712192051.db2.gz SEVSVYFALMSVRA-SNVBAGLBSA-N 0 3 224.308 0.720 20 0 BCADHN CN(C[C@@H]1CCC(C)(C)CO1)[C@@H]1COC[C@H]1O ZINC000708621612 712195777 /nfs/dbraw/zinc/19/57/77/712195777.db2.gz CZFVNDABPFJQOT-QJPTWQEYSA-N 0 3 243.347 0.883 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@H](N)CC2CC2)CCO1 ZINC000708957797 712204609 /nfs/dbraw/zinc/20/46/09/712204609.db2.gz ALPFIKPFMQYCGS-NWDGAFQWSA-N 0 3 240.347 0.997 20 0 BCADHN CCN1CC[C@H](N(C)[C@@H]2CCC[C@H]2O)C1=O ZINC000708595165 712214338 /nfs/dbraw/zinc/21/43/38/712214338.db2.gz NUJRFUBEHUWORT-OUAUKWLOSA-N 0 3 226.320 0.452 20 0 BCADHN OC[C@@H]1CCCN(Cc2cccnc2)[C@@H]1CO ZINC000709808331 712228481 /nfs/dbraw/zinc/22/84/81/712228481.db2.gz JBBJQEGPEWGYKO-QWHCGFSZSA-N 0 3 236.315 0.647 20 0 BCADHN CCS(=O)(=O)CCNCCc1ccns1 ZINC000709934182 712233394 /nfs/dbraw/zinc/23/33/94/712233394.db2.gz NUTDZTXVDVJERU-UHFFFAOYSA-N 0 3 248.373 0.710 20 0 BCADHN C[C@H](NCCCn1cncn1)c1cn(C)cn1 ZINC000710005394 712239306 /nfs/dbraw/zinc/23/93/06/712239306.db2.gz HLNXTVFZNNLKGE-JTQLQIEISA-N 0 3 234.307 0.753 20 0 BCADHN C[C@@H](NCCN1CCC1)c1cn(C)cn1 ZINC000710032830 712242641 /nfs/dbraw/zinc/24/26/41/712242641.db2.gz YBOUEVZSRCWCRN-SNVBAGLBSA-N 0 3 208.309 0.776 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@H]1C[C@H](O)C1(C)C ZINC000710944514 712267338 /nfs/dbraw/zinc/26/73/38/712267338.db2.gz CNSLIGXLEZGJLU-GUBZILKMSA-N 0 3 229.320 0.887 20 0 BCADHN COC1(OC)CC[C@H]1NCCC(=O)N(C)C ZINC000710957121 712267808 /nfs/dbraw/zinc/26/78/08/712267808.db2.gz HNSCRPKTEKEALZ-SECBINFHSA-N 0 3 230.308 0.206 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@@H](C)C[S@@](C)=O ZINC000710966317 712269530 /nfs/dbraw/zinc/26/95/30/712269530.db2.gz ZVQMQUXLOOMSIY-KOSWAMCASA-N 0 3 235.349 0.495 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@@H]1CCC(=O)N(C)C1 ZINC000710966235 712269916 /nfs/dbraw/zinc/26/99/16/712269916.db2.gz ZKWBTEVICUBKII-ZJUUUORDSA-N 0 3 242.319 0.348 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@H](C)[C@@H](CO)SC ZINC000710975828 712271029 /nfs/dbraw/zinc/27/10/29/712271029.db2.gz JUHBQPHNRHONCD-BBBLOLIVSA-N 0 3 249.376 0.840 20 0 BCADHN COC1(OC)CC[C@H]1NCCn1cccn1 ZINC000711031379 712275428 /nfs/dbraw/zinc/27/54/28/712275428.db2.gz WBFIPKCZCOWQSW-SNVBAGLBSA-N 0 3 225.292 0.624 20 0 BCADHN OCC[C@H]1CSCCN1CCOC1CC1 ZINC000711670904 712315695 /nfs/dbraw/zinc/31/56/95/712315695.db2.gz NJMRLSKXPCDYKW-JTQLQIEISA-N 0 3 231.361 0.965 20 0 BCADHN OCC[C@@H]1CSCCN1CCOC1CC1 ZINC000711670905 712315849 /nfs/dbraw/zinc/31/58/49/712315849.db2.gz NJMRLSKXPCDYKW-SNVBAGLBSA-N 0 3 231.361 0.965 20 0 BCADHN C[C@H]1CS(=O)(=O)C[C@H]1N[C@@H]1CO[C@@H](C)C1 ZINC000711678556 712315929 /nfs/dbraw/zinc/31/59/29/712315929.db2.gz FFWROHIUJMLMPD-AATLWQCWSA-N 0 3 233.333 0.187 20 0 BCADHN C[C@H]1OCC[C@H]1N[C@H]1CS(=O)(=O)C[C@H]1C ZINC000711710892 712320195 /nfs/dbraw/zinc/32/01/95/712320195.db2.gz YEKWMVMNDZYAGP-KYXWUPHJSA-N 0 3 233.333 0.187 20 0 BCADHN NC1(C(=O)N[C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000711858659 712335523 /nfs/dbraw/zinc/33/55/23/712335523.db2.gz RXDXPNGDDRLWKN-QWRGUYRKSA-N 0 3 238.331 0.799 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)C1(C)CC1 ZINC001079741924 712349818 /nfs/dbraw/zinc/34/98/18/712349818.db2.gz ASAADVWHJNRIFQ-NXEZZACHSA-N 0 3 226.320 0.215 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001080326349 712353354 /nfs/dbraw/zinc/35/33/54/712353354.db2.gz BMNXMWZJTHFIFK-FOGDFJRCSA-N 0 3 244.310 0.571 20 0 BCADHN CO[C@H](CNCCS(=O)(=O)C(C)C)C1CC1 ZINC000378746414 712358829 /nfs/dbraw/zinc/35/88/29/712358829.db2.gz MATSCRPNEXWFAG-LLVKDONJSA-N 0 3 249.376 0.824 20 0 BCADHN CN(C)CCONC(=O)/C=C\c1cnn(C)c1 ZINC000379062104 712368828 /nfs/dbraw/zinc/36/88/28/712368828.db2.gz SAKJOBCCKSCHMA-PLNGDYQASA-N 0 3 238.291 0.043 20 0 BCADHN CN(C)CCONC(=O)c1cscn1 ZINC000379079041 712369709 /nfs/dbraw/zinc/36/97/09/712369709.db2.gz FGDHKUNNPRYCDG-UHFFFAOYSA-N 0 3 215.278 0.366 20 0 BCADHN C[C@@H](NCCS(C)(=O)=O)[C@H]1CCCCO1 ZINC000379269684 712371691 /nfs/dbraw/zinc/37/16/91/712371691.db2.gz UQQWFOTVCCGORA-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN CN(C)CCONC(=O)c1ccc(F)cn1 ZINC000379136508 712370358 /nfs/dbraw/zinc/37/03/58/712370358.db2.gz DAWCLTTVXGUONS-UHFFFAOYSA-N 0 3 227.239 0.444 20 0 BCADHN C[NH+](C)CCONC(=O)c1ccccc1[O-] ZINC000379199482 712371072 /nfs/dbraw/zinc/37/10/72/712371072.db2.gz YCVVBHQRPPFRSC-UHFFFAOYSA-N 0 3 224.260 0.615 20 0 BCADHN COCCN(C)C(=O)[C@H](N)CC1CC1 ZINC000379585787 712389322 /nfs/dbraw/zinc/38/93/22/712389322.db2.gz QAQNWAZVWVNLOG-SECBINFHSA-N 0 3 200.282 0.219 20 0 BCADHN CCOC[C@@H](NCC(=O)N(C)OC)C(C)C ZINC000381761203 712396427 /nfs/dbraw/zinc/39/64/27/712396427.db2.gz UABNPEXROLBUFB-SNVBAGLBSA-N 0 3 232.324 0.657 20 0 BCADHN CCOC(=O)CCCNC(=O)[C@H](N)CC1CC1 ZINC000379754887 712397386 /nfs/dbraw/zinc/39/73/86/712397386.db2.gz AAANUOPCKDESOM-SNVBAGLBSA-N 0 3 242.319 0.573 20 0 BCADHN CCN1CC[C@@H]1CNc1ccc2nccnc2n1 ZINC000712594271 712435641 /nfs/dbraw/zinc/43/56/41/712435641.db2.gz IJABZIHDPUUDII-SNVBAGLBSA-N 0 3 243.314 0.904 20 0 BCADHN CN1CCN(C(=O)c2cn[nH]n2)CCC1(C)C ZINC000712608669 712437493 /nfs/dbraw/zinc/43/74/93/712437493.db2.gz KYDAQWJSAYNDRT-UHFFFAOYSA-N 0 3 237.307 0.361 20 0 BCADHN CCN1CC[C@H]1CNc1cc(C)nc2ncnn21 ZINC000712608920 712437730 /nfs/dbraw/zinc/43/77/30/712437730.db2.gz UQCSOXDBRSCKGY-JTQLQIEISA-N 0 3 246.318 0.939 20 0 BCADHN CCN1CC[C@@H]1CNCc1cn(C)cn1 ZINC000712534171 712441953 /nfs/dbraw/zinc/44/19/53/712441953.db2.gz IORUUQHWNICOIR-LLVKDONJSA-N 0 3 208.309 0.604 20 0 BCADHN CCN1CC[C@@H]1CNCc1nccn1C ZINC000712535242 712442692 /nfs/dbraw/zinc/44/26/92/712442692.db2.gz MPCSQGIOJATVAF-SNVBAGLBSA-N 0 3 208.309 0.604 20 0 BCADHN COc1cccc(CNC[C@@H]2CCN2C)n1 ZINC000712539542 712443162 /nfs/dbraw/zinc/44/31/62/712443162.db2.gz WWBFJMRCNGCVJV-NSHDSACASA-N 0 3 221.304 0.884 20 0 BCADHN C[C@H](NC[C@H]1CCN1C)c1cn(C)cn1 ZINC000712567414 712447235 /nfs/dbraw/zinc/44/72/35/712447235.db2.gz XNUZLDXHOFNQNF-VHSXEESVSA-N 0 3 208.309 0.775 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CCC(C)(C)CO2)C[C@H]1O ZINC000713571171 712465287 /nfs/dbraw/zinc/46/52/87/712465287.db2.gz QRXWLZAPXTULJG-IJLUTSLNSA-N 0 3 243.347 0.883 20 0 BCADHN CC1(C)CC[C@H](CNCCS(C)(=O)=O)OC1 ZINC000713605757 712466778 /nfs/dbraw/zinc/46/67/78/712466778.db2.gz IRUAELFVADDYGI-SNVBAGLBSA-N 0 3 249.376 0.826 20 0 BCADHN C=C/C=C/CCN1CCN(C)C[C@@H]1CO ZINC000713652295 712468366 /nfs/dbraw/zinc/46/83/66/712468366.db2.gz ZVLRXCLJQIFTEX-ZYOFXKKJSA-N 0 3 210.321 0.727 20 0 BCADHN CCn1cc(CNCCC[C@@H](C)CO)nn1 ZINC000714911983 712499775 /nfs/dbraw/zinc/49/97/75/712499775.db2.gz NSBSFROCXZDBED-SNVBAGLBSA-N 0 3 226.324 0.796 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000036871924 712506582 /nfs/dbraw/zinc/50/65/82/712506582.db2.gz HAHLSDPQPNTJGA-SSDOTTSWSA-N 0 3 234.259 0.532 20 0 BCADHN CC[C@@H](N)c1cn(Cc2n[nH]cc2C)nn1 ZINC000715448626 712519298 /nfs/dbraw/zinc/51/92/98/712519298.db2.gz YPIPLXDCQBYKJW-MRVPVSSYSA-N 0 3 220.280 0.768 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715496299 712523274 /nfs/dbraw/zinc/52/32/74/712523274.db2.gz XMENMZZZYKKLLC-HRDYMLBCSA-N 0 3 230.258 0.837 20 0 BCADHN OCCN(CCO)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715533876 712526250 /nfs/dbraw/zinc/52/62/50/712526250.db2.gz JUCQUTJUNDBSNA-RYUDHWBXSA-N 0 3 229.320 0.231 20 0 BCADHN COCCN(CCO)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715539393 712526829 /nfs/dbraw/zinc/52/68/29/712526829.db2.gz RIIHKPAZOYTHFA-QWHCGFSZSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@H](NCC[C@H]1CCOC1)c1cn(C)nn1 ZINC000715874961 712538052 /nfs/dbraw/zinc/53/80/52/712538052.db2.gz BPKSOWQTYDGJRS-UWVGGRQHSA-N 0 3 224.308 0.892 20 0 BCADHN C[C@H](N[C@H]1CCN(C2CC2)C1)c1cn(C)nn1 ZINC000715876192 712538345 /nfs/dbraw/zinc/53/83/45/712538345.db2.gz GLMDASKHOGYQPT-UWVGGRQHSA-N 0 3 235.335 0.702 20 0 BCADHN C[C@H](NCCN1CCCCC1)c1cn(C)nn1 ZINC000715890640 712540220 /nfs/dbraw/zinc/54/02/20/712540220.db2.gz JVYVOFKKZGTGFR-NSHDSACASA-N 0 3 237.351 0.952 20 0 BCADHN C[C@H](N[C@@H]1CCOC[C@@H]1C)c1cn(C)nn1 ZINC000715906650 712541813 /nfs/dbraw/zinc/54/18/13/712541813.db2.gz DOVNFOVBQFAAAL-LPEHRKFASA-N 0 3 224.308 0.891 20 0 BCADHN C[C@H](NCCN1CCCC1)c1cn(C)nn1 ZINC000715915387 712542139 /nfs/dbraw/zinc/54/21/39/712542139.db2.gz VYNLOOBUPGOWPF-JTQLQIEISA-N 0 3 223.324 0.562 20 0 BCADHN CCCN1CC[C@H](N[C@@H](C)c2cn(C)nn2)C1 ZINC000715927359 712542956 /nfs/dbraw/zinc/54/29/56/712542956.db2.gz JZVYNOOSJRJOOK-QWRGUYRKSA-N 0 3 237.351 0.950 20 0 BCADHN C[C@H](CCCO)CN[C@@H](C)c1cn(C)nn1 ZINC000715932067 712543897 /nfs/dbraw/zinc/54/38/97/712543897.db2.gz BXARUHRODQJJPG-ZJUUUORDSA-N 0 3 226.324 0.874 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC[C@H]1CCCS1 ZINC000715994729 712551446 /nfs/dbraw/zinc/55/14/46/712551446.db2.gz TWBSGGRWIXSXOX-ZJUUUORDSA-N 0 3 245.392 0.277 20 0 BCADHN CC[C@@H](N)C(=O)N(CCOC)C1CCOCC1 ZINC000716397992 712558076 /nfs/dbraw/zinc/55/80/76/712558076.db2.gz QECDUDLCFMAADH-LLVKDONJSA-N 0 3 244.335 0.378 20 0 BCADHN Cc1cnc(C)c(N[C@@H](CO)CN(C)C)n1 ZINC000716735243 712571567 /nfs/dbraw/zinc/57/15/67/712571567.db2.gz LNTHLOCILANAPY-SNVBAGLBSA-N 0 3 224.308 0.428 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)/C=C/c1ccccc1 ZINC000716736233 712571660 /nfs/dbraw/zinc/57/16/60/712571660.db2.gz QGPDLSOZXFXVHY-XEHSLEBBSA-N 0 3 248.326 0.739 20 0 BCADHN O[C@H](CCNCc1c[nH]cn1)C(F)F ZINC000716750577 712572562 /nfs/dbraw/zinc/57/25/62/712572562.db2.gz SPBBFAAGGBFLAA-SSDOTTSWSA-N 0 3 205.208 0.515 20 0 BCADHN Cc1nc(C)c(CN2C[C@H](O)[C@@H](C)C2)[nH]1 ZINC000930163217 712616045 /nfs/dbraw/zinc/61/60/45/712616045.db2.gz RFNVOGBNLFYPPS-CPCISQLKSA-N 0 3 209.293 0.839 20 0 BCADHN CCN(C[C@H]1CCOC1)C(=O)[C@H](N)CC1CC1 ZINC000379891566 712621040 /nfs/dbraw/zinc/62/10/40/712621040.db2.gz FBRXUZYNHMQSNL-VXGBXAGGSA-N 0 3 240.347 0.999 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000868345666 712622223 /nfs/dbraw/zinc/62/22/23/712622223.db2.gz NBDROLKJEKPOFU-HBNTYKKESA-N 0 3 242.363 0.707 20 0 BCADHN Cc1ccnn1CC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000876795242 712629624 /nfs/dbraw/zinc/62/96/24/712629624.db2.gz DPUPPZGMBRQAIE-MWLCHTKSSA-N 0 3 236.319 0.400 20 0 BCADHN O=S(=O)(NCC[C@@H]1CC[C@H]2C[C@H]21)C1CNC1 ZINC000717126933 712633993 /nfs/dbraw/zinc/63/39/93/712633993.db2.gz YNFSARSWFSQXOY-QXEWZRGKSA-N 0 3 244.360 0.314 20 0 BCADHN CCc1ncc(CNC[C@@H](O)[C@@H](C)O)s1 ZINC000717296783 712645545 /nfs/dbraw/zinc/64/55/45/712645545.db2.gz OZXFIMKUAVDURW-VXNVDRBHSA-N 0 3 230.333 0.537 20 0 BCADHN Cc1ccc(CNC[C@H](O)[C@H](C)O)cc1F ZINC000717306493 712645996 /nfs/dbraw/zinc/64/59/96/712645996.db2.gz IGLKAARLXRLCQB-CABZTGNLSA-N 0 3 227.279 0.965 20 0 BCADHN Cc1cc(CNC[C@@H](O)[C@H](C)O)ccc1F ZINC000717305168 712646011 /nfs/dbraw/zinc/64/60/11/712646011.db2.gz DFZLVXLAGQBITL-JOYOIKCWSA-N 0 3 227.279 0.965 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1cccc2c1OCC2 ZINC000717389387 712653309 /nfs/dbraw/zinc/65/33/09/712653309.db2.gz XDDRLOHOUQTNML-SKDRFNHKSA-N 0 3 237.299 0.453 20 0 BCADHN C[C@@H](O)[C@H](O)CN[C@@H](C)c1cncs1 ZINC000717422919 712657665 /nfs/dbraw/zinc/65/76/65/712657665.db2.gz VZBUNWFBXUNGGD-XLPZGREQSA-N 0 3 216.306 0.535 20 0 BCADHN Cc1cc(CNC[C@H](O)[C@H](C)O)cs1 ZINC000717424496 712658260 /nfs/dbraw/zinc/65/82/60/712658260.db2.gz XBWNGLRYEOSGGW-WPRPVWTQSA-N 0 3 215.318 0.888 20 0 BCADHN CCO[C@@H]1C[C@H](NC/C=C\CO)[C@H]1OC ZINC000717535173 712660474 /nfs/dbraw/zinc/66/04/74/712660474.db2.gz SUOOHTHUVBEUON-OZUGTNHESA-N 0 3 215.293 0.317 20 0 BCADHN C[C@H](N)C(=O)NC[C@H]1CC(C)(C)CO1 ZINC000717620436 712662850 /nfs/dbraw/zinc/66/28/50/712662850.db2.gz WFFKFJIQZDNKLL-JGVFFNPUSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@H](CCO)NCc1ccc(C#N)cn1 ZINC000380032004 712683591 /nfs/dbraw/zinc/68/35/91/712683591.db2.gz QOBVCMGDFGNANT-SECBINFHSA-N 0 3 205.261 0.814 20 0 BCADHN C[C@H](N[C@@H](CO)C1CC1)c1cnccn1 ZINC000389964674 712692601 /nfs/dbraw/zinc/69/26/01/712692601.db2.gz WZTDYVNYNXTEMV-KWQFWETISA-N 0 3 207.277 0.898 20 0 BCADHN CCn1cnnc1SCCN(C)C ZINC000041336185 712719593 /nfs/dbraw/zinc/71/95/93/712719593.db2.gz MOHFDZXHDRTALY-UHFFFAOYSA-N 0 3 200.311 0.952 20 0 BCADHN NC(=O)c1ccc(CN[C@]23C[C@H]2COC3)cc1 ZINC000717974862 712734448 /nfs/dbraw/zinc/73/44/48/712734448.db2.gz DTNJKICSZRGQPQ-AAEUAGOBSA-N 0 3 232.283 0.664 20 0 BCADHN CCS(=O)(=O)CCNCCc1cccnc1 ZINC000037718306 712750085 /nfs/dbraw/zinc/75/00/85/712750085.db2.gz ZEXZMKTXFISDCC-UHFFFAOYSA-N 0 3 242.344 0.648 20 0 BCADHN CCCn1cc(NC(=O)CNC2CC2)ccc1=O ZINC000037766215 712755657 /nfs/dbraw/zinc/75/56/57/712755657.db2.gz QINKPGQDYAWWKG-UHFFFAOYSA-N 0 3 249.314 0.949 20 0 BCADHN CCCn1cc(NC(=O)[C@@H](C)N)ccc1=O ZINC000037766184 712755662 /nfs/dbraw/zinc/75/56/62/712755662.db2.gz HMEUCIIYNHQVPS-MRVPVSSYSA-N 0 3 223.276 0.544 20 0 BCADHN Cc1noc(C)c1CN(C)C(=O)[C@H](C)N ZINC000037819147 712764657 /nfs/dbraw/zinc/76/46/57/712764657.db2.gz XEIZVAFHBMMIBQ-LURJTMIESA-N 0 3 211.265 0.597 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2CCN[C@H](C)[C@@H]2C)C1 ZINC000718538523 712771627 /nfs/dbraw/zinc/77/16/27/712771627.db2.gz BLPJFCBYWGYFLV-VLEAKVRGSA-N 0 3 226.320 0.620 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H](C2OCCO2)C1 ZINC000718989790 712792676 /nfs/dbraw/zinc/79/26/76/712792676.db2.gz SZKVJUWKLJVJKZ-SNVBAGLBSA-N 0 3 242.319 0.160 20 0 BCADHN c1cc(CN2CC[C@@H](C3OCCO3)C2)on1 ZINC000719074824 712795773 /nfs/dbraw/zinc/79/57/73/712795773.db2.gz FRRRTQCQQZJFBT-SECBINFHSA-N 0 3 224.260 0.869 20 0 BCADHN c1n[nH]cc1CN1CCC[C@@H](C2OCCO2)C1 ZINC000719092015 712796807 /nfs/dbraw/zinc/79/68/07/712796807.db2.gz RPQKMTKANCSSEZ-LLVKDONJSA-N 0 3 237.303 0.995 20 0 BCADHN CC[S@](=O)CCNCc1cnc2n1CCC2 ZINC000719114611 712797955 /nfs/dbraw/zinc/79/79/55/712797955.db2.gz TZYMPGNFAMRFBE-INIZCTEOSA-N 0 3 241.360 0.688 20 0 BCADHN Cn1ncc(CN)c1C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000719200263 712799237 /nfs/dbraw/zinc/79/92/37/712799237.db2.gz TYMWOHDDVLUMPD-ATZCPNFKSA-N 0 3 248.330 0.797 20 0 BCADHN Cc1cccc(NC(=O)c2c(CN)cnn2C)n1 ZINC000719224958 712800850 /nfs/dbraw/zinc/80/08/50/712800850.db2.gz CGFWKPDOHPXBMH-UHFFFAOYSA-N 0 3 245.286 0.835 20 0 BCADHN CC[C@@H](C)NC(=O)c1c(CN)cnn1C ZINC000719244081 712801178 /nfs/dbraw/zinc/80/11/78/712801178.db2.gz KDHFUAXLUNNDGD-SSDOTTSWSA-N 0 3 210.281 0.407 20 0 BCADHN C[C@@H]1CN(C(=O)c2c(CN)cnn2C)C[C@H]1C ZINC000719244398 712801407 /nfs/dbraw/zinc/80/14/07/712801407.db2.gz MDHUZSFAVOQMHQ-RKDXNWHRSA-N 0 3 236.319 0.607 20 0 BCADHN Cc1ccc(CNC(=O)c2c(CN)cnn2C)o1 ZINC000719247933 712801517 /nfs/dbraw/zinc/80/15/17/712801517.db2.gz LUBBLHHWPQFISW-UHFFFAOYSA-N 0 3 248.286 0.710 20 0 BCADHN CCCN(C)C(=O)c1c(CN)cnn1C ZINC000719243152 712801604 /nfs/dbraw/zinc/80/16/04/712801604.db2.gz DWIHGOXEYNRERX-UHFFFAOYSA-N 0 3 210.281 0.361 20 0 BCADHN Cn1ncc(CN)c1C(=O)N[C@H]1CCCC12CC2 ZINC000719258250 712802146 /nfs/dbraw/zinc/80/21/46/712802146.db2.gz WGJZPQDTPAQFNG-JTQLQIEISA-N 0 3 248.330 0.941 20 0 BCADHN CSC[C@H](C)NC(=O)c1c(CN)cnn1C ZINC000719278023 712802992 /nfs/dbraw/zinc/80/29/92/712802992.db2.gz CVGRXBHLIVVFIY-ZETCQYMHSA-N 0 3 242.348 0.360 20 0 BCADHN CCN(CC(C)C)C(=O)c1c(CN)cnn1C ZINC000719279585 712803370 /nfs/dbraw/zinc/80/33/70/712803370.db2.gz JJVXTTCYDDXHNG-UHFFFAOYSA-N 0 3 238.335 0.997 20 0 BCADHN CCS(=O)(=O)CCNCCc1ccco1 ZINC000038059512 712803964 /nfs/dbraw/zinc/80/39/64/712803964.db2.gz QXDAXMCMASNNQN-UHFFFAOYSA-N 0 3 231.317 0.846 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1C ZINC000719340952 712804457 /nfs/dbraw/zinc/80/44/57/712804457.db2.gz HAIRMUIFIZXZCW-DTWKUNHWSA-N 0 3 235.287 0.610 20 0 BCADHN CNc1cnc(C(=O)N[C@H]2CCN(C)[C@H]2C)cn1 ZINC000719489194 712808690 /nfs/dbraw/zinc/80/86/90/712808690.db2.gz FWYQZGNZCULMNS-IUCAKERBSA-N 0 3 249.318 0.341 20 0 BCADHN Cc1nc(N[C@@H]2CC[N@H+](C)[C@H]2C)cc(=O)[n-]1 ZINC000719568865 712810105 /nfs/dbraw/zinc/81/01/05/712810105.db2.gz FZOZGVFGOGADMR-IONNQARKSA-N 0 3 222.292 0.995 20 0 BCADHN Cc1cc(CN[C@H]2CCN(C)[C@@H]2C)nn1C ZINC000719575169 712811634 /nfs/dbraw/zinc/81/16/34/712811634.db2.gz FOVFORRTYKJKMO-PWSUYJOCSA-N 0 3 222.336 0.911 20 0 BCADHN Cc1nnc(N[C@@H]2CCN(C)[C@H]2C)nc1C ZINC000719603739 712815979 /nfs/dbraw/zinc/81/59/79/712815979.db2.gz SLBZJMMKSOHQDQ-VHSXEESVSA-N 0 3 221.308 0.993 20 0 BCADHN CC(C)(O)[C@H]1CCCN([C@H]2CCNC2=O)C1 ZINC000719663360 712818361 /nfs/dbraw/zinc/81/83/61/712818361.db2.gz WOFGKQHFULNKDV-UWVGGRQHSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@H](CNCCc1ccns1)S(C)(=O)=O ZINC000719804060 712823275 /nfs/dbraw/zinc/82/32/75/712823275.db2.gz VONOZIUHIHBXIW-MRVPVSSYSA-N 0 3 248.373 0.708 20 0 BCADHN COC(CN1CCO[C@H](C)CC1)OC ZINC000720406668 712839912 /nfs/dbraw/zinc/83/99/12/712839912.db2.gz MUORIXJGGJQLCV-SECBINFHSA-N 0 3 203.282 0.716 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCO[C@H](C)CC1 ZINC000720430553 712842470 /nfs/dbraw/zinc/84/24/70/712842470.db2.gz FRQCRDNYEQIRHE-KOLCDFICSA-N 0 3 231.292 0.021 20 0 BCADHN COCCN(CCO)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720566051 712851273 /nfs/dbraw/zinc/85/12/73/712851273.db2.gz KDPIIRQJAFTWHQ-FRRDWIJNSA-N 0 3 243.347 0.885 20 0 BCADHN Cc1cc(CN2C[C@H](O)[C@@H](C)C2)c(C)nn1 ZINC000720599926 712856720 /nfs/dbraw/zinc/85/67/20/712856720.db2.gz JWVCSYGPNBBNLR-UFBFGSQYSA-N 0 3 221.304 0.906 20 0 BCADHN C[C@H](NCCCc1cnn(C)c1)c1cn(C)nn1 ZINC000720614399 712859211 /nfs/dbraw/zinc/85/92/11/712859211.db2.gz LZMNHXKDRWKSCG-JTQLQIEISA-N 0 3 248.334 0.832 20 0 BCADHN COC(OC)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720810520 712866826 /nfs/dbraw/zinc/86/68/26/712866826.db2.gz LNDLVINCZRFIQI-UWVGGRQHSA-N 0 3 242.319 0.300 20 0 BCADHN Cn1ncc(CNC[C@H]2C[C@H](O)C2)c1Cl ZINC000720915257 712878494 /nfs/dbraw/zinc/87/84/94/712878494.db2.gz SHGWHMPYVOYDDQ-XWEPSHTISA-N 0 3 229.711 0.934 20 0 BCADHN Cc1nc(CNC[C@H]2C[C@H](O)C2)[nH]c1C ZINC000720918236 712878552 /nfs/dbraw/zinc/87/85/52/712878552.db2.gz IVBVWMYORIAESI-MGCOHNPYSA-N 0 3 209.293 0.887 20 0 BCADHN CCN(CCO)CCNCc1ccncc1C ZINC000295535802 398135377 /nfs/dbraw/zinc/13/53/77/398135377.db2.gz XAHMGFHFGVOTAN-UHFFFAOYSA-N 0 3 237.347 0.794 20 0 BCADHN Cn1ccc(CN(CCO)CCCO)c1 ZINC000093323920 343976356 /nfs/dbraw/zinc/97/63/56/343976356.db2.gz PLWRTQOTNMGPQB-UHFFFAOYSA-N 0 3 212.293 0.202 20 0 BCADHN C[C@H](N[C@H]1C=C[C@H](CO)C1)c1cn[nH]c1 ZINC000340524231 398136850 /nfs/dbraw/zinc/13/68/50/398136850.db2.gz GUSREKIPTIOUTK-QXEWZRGKSA-N 0 3 207.277 0.997 20 0 BCADHN CN(C(=O)C(C)(C)CO)[C@H]1CCCN(C)C1 ZINC000548585045 398138273 /nfs/dbraw/zinc/13/82/73/398138273.db2.gz SGTGJDGFEFZKJF-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@H](Cn1cncn1)NCc1cc(C)nn1C ZINC000340536992 398138585 /nfs/dbraw/zinc/13/85/85/398138585.db2.gz OABPHIGQYSGPIY-LLVKDONJSA-N 0 3 248.334 0.888 20 0 BCADHN COCCN1CCN(CCCCO)C(C)(C)C1 ZINC000649849629 398138747 /nfs/dbraw/zinc/13/87/47/398138747.db2.gz DFDMAXBBDYAEJJ-UHFFFAOYSA-N 0 3 244.379 0.802 20 0 BCADHN C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccccc1[O-] ZINC000385195035 398138840 /nfs/dbraw/zinc/13/88/40/398138840.db2.gz AJGIDWQFGUIBGT-IUCAKERBSA-N 0 3 220.272 0.954 20 0 BCADHN C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccccc1[O-] ZINC000385195032 398139040 /nfs/dbraw/zinc/13/90/40/398139040.db2.gz AJGIDWQFGUIBGT-DTWKUNHWSA-N 0 3 220.272 0.954 20 0 BCADHN CCN(CCCO)[C@H](C)C(=O)NCCCOC ZINC000161432706 349446964 /nfs/dbraw/zinc/44/69/64/349446964.db2.gz PFAVYXJFBNPKQT-LLVKDONJSA-N 0 3 246.351 0.232 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1CC(=O)NC1CC1 ZINC000159381314 488169512 /nfs/dbraw/zinc/16/95/12/488169512.db2.gz CDRIRLYNUOHGID-ONGXEEELSA-N 0 3 226.320 0.500 20 0 BCADHN C[C@H]1C[C@H](NC(=O)Cc2cc[nH]n2)CN1C1CC1 ZINC000268012756 538916212 /nfs/dbraw/zinc/91/62/12/538916212.db2.gz UZQUAVNRRPADSY-ONGXEEELSA-N 0 3 248.330 0.694 20 0 BCADHN C[C@H]1CCN(CCn2ccnc2)C[C@@H]1O ZINC000093344719 343977191 /nfs/dbraw/zinc/97/71/91/343977191.db2.gz TWQKIGGHFHTAIK-QWRGUYRKSA-N 0 3 209.293 0.586 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)C(C)(C)CO ZINC000572420500 398142574 /nfs/dbraw/zinc/14/25/74/398142574.db2.gz ARAUBHYFLOVJMO-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)C(C)(C)CO ZINC000572420499 398142755 /nfs/dbraw/zinc/14/27/55/398142755.db2.gz ARAUBHYFLOVJMO-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C(=O)N1CCC[C@H]2C[C@H]21)S(C)(=O)=O ZINC000672120967 488169834 /nfs/dbraw/zinc/16/98/34/488169834.db2.gz BYEKTEDWBBMZRE-HRDYMLBCSA-N 0 3 231.317 0.430 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000153239004 136212780 /nfs/dbraw/zinc/21/27/80/136212780.db2.gz PXVOZVYZVUQVSD-QWRGUYRKSA-N 0 3 227.352 0.535 20 0 BCADHN C[C@H](Cn1cccn1)N[C@@H]1CNCCC1(F)F ZINC000415003745 398145441 /nfs/dbraw/zinc/14/54/41/398145441.db2.gz PJTRTTZFMAPWLA-NXEZZACHSA-N 0 3 244.289 0.858 20 0 BCADHN C[C@H](CCO)N(C)Cc1cccc(C(N)=O)c1 ZINC000649865219 398145816 /nfs/dbraw/zinc/14/58/16/398145816.db2.gz RPAFRRJHFNTHLA-SNVBAGLBSA-N 0 3 236.315 0.988 20 0 BCADHN CC(=O)N1CC(N[C@H](C)[C@]2(C)CCCO2)C1 ZINC000577232094 398145817 /nfs/dbraw/zinc/14/58/17/398145817.db2.gz VWWRGLZQCNGUHH-SKDRFNHKSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](C)N)C[C@H](C)O1 ZINC000155633768 136213188 /nfs/dbraw/zinc/21/31/88/136213188.db2.gz DOYUPKHXYCNGCM-CIUDSAMLSA-N 0 3 200.282 0.360 20 0 BCADHN CNCC(=O)NC[C@H](C)c1ccncc1 ZINC000379455022 398146474 /nfs/dbraw/zinc/14/64/74/398146474.db2.gz MSLRVCAKMJWXIM-VIFPVBQESA-N 0 3 207.277 0.521 20 0 BCADHN CC[C@H](N)C(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161625844 349477476 /nfs/dbraw/zinc/47/74/76/349477476.db2.gz MRHSNFVDZZYTIQ-MMWGEVLESA-N 0 3 240.347 0.996 20 0 BCADHN CC(C)N1CCN(C[C@@H]2COCCO2)CC1 ZINC000336684744 187321790 /nfs/dbraw/zinc/32/17/90/187321790.db2.gz UQAJGWCZGMCBMD-GFCCVEGCSA-N 0 3 228.336 0.428 20 0 BCADHN OCCCN1CCC[C@H](N2CCOCC2)C1 ZINC000257775567 349483926 /nfs/dbraw/zinc/48/39/26/349483926.db2.gz WIKHTZPSYVYXBT-LBPRGKRZSA-N 0 3 228.336 0.165 20 0 BCADHN COc1ccccc1CNC(=O)[C@H](CN)OC ZINC000227342294 187323123 /nfs/dbraw/zinc/32/31/23/187323123.db2.gz FUEDAHHPUOCMQE-NSHDSACASA-N 0 3 238.287 0.285 20 0 BCADHN Cc1cc(CN2CC[C@@H](C)[C@H]2CO)ncn1 ZINC000292823940 178000937 /nfs/dbraw/zinc/00/09/37/178000937.db2.gz MHBPXXCCXPYELQ-BXKDBHETSA-N 0 3 221.304 0.988 20 0 BCADHN CN(Cc1cn[nH]c1)C(=O)C(N)C(F)(F)F ZINC000649335347 398151591 /nfs/dbraw/zinc/15/15/91/398151591.db2.gz TYAZUIWDJJVNSC-LURJTMIESA-N 0 3 236.197 0.258 20 0 BCADHN CCCCNC(=O)[C@H]1CCCN(C(=O)CN)C1 ZINC000156965823 136213648 /nfs/dbraw/zinc/21/36/48/136213648.db2.gz RGBPQYIZQFDFPA-JTQLQIEISA-N 0 3 241.335 0.100 20 0 BCADHN CN(Cc1cn[nH]c1)C(=O)[C@H]1NCC1(C)C ZINC000649335205 398152416 /nfs/dbraw/zinc/15/24/16/398152416.db2.gz LCWSVQKXIHXZDN-SECBINFHSA-N 0 3 222.292 0.366 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@H]1CCSC1 ZINC000379572834 398153236 /nfs/dbraw/zinc/15/32/36/398153236.db2.gz IIBYOOCOPYEPDJ-NTSWFWBYSA-N 0 3 224.276 0.591 20 0 BCADHN Cc1cc(CNC(=O)/C=C/CN(C)C)n(C)n1 ZINC000285669485 178009548 /nfs/dbraw/zinc/00/95/48/178009548.db2.gz KPFSANGYBWXECY-AATRIKPKSA-N 0 3 236.319 0.463 20 0 BCADHN C[C@@H](CCO)N(C)CC[C@@H]1CCS(=O)(=O)C1 ZINC000649869528 398155568 /nfs/dbraw/zinc/15/55/68/398155568.db2.gz GGWWEQKEXQSWAM-WDEREUQCSA-N 0 3 249.376 0.514 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCCN(C)C1 ZINC000162228820 538921683 /nfs/dbraw/zinc/92/16/83/538921683.db2.gz ZXRAMDXMLBNODR-QWRGUYRKSA-N 0 3 248.392 0.493 20 0 BCADHN CNC(=O)c1ccc(CN[C@@H]2CC[C@H]2O)cc1 ZINC000424205128 398174456 /nfs/dbraw/zinc/17/44/56/398174456.db2.gz UAZURQASDHAXDW-VXGBXAGGSA-N 0 3 234.299 0.659 20 0 BCADHN Cc1cc(CN[C@H]2CCO[C@H]2C)n(C)n1 ZINC000134546741 178040811 /nfs/dbraw/zinc/04/08/11/178040811.db2.gz UIWCHNOQYRPNKW-ONGXEEELSA-N 0 3 209.293 0.996 20 0 BCADHN Cc1[nH]nc2ncc(CN[C@@H]3CC[C@H]3O)cc12 ZINC000424205203 398175676 /nfs/dbraw/zinc/17/56/76/398175676.db2.gz UGHYQCATAHLGGF-GHMZBOCLSA-N 0 3 232.287 0.879 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000424206705 398176774 /nfs/dbraw/zinc/17/67/74/398176774.db2.gz HXJWZIHQPJGXIP-GARJFASQSA-N 0 3 226.320 0.513 20 0 BCADHN O=C(CN1CCNC[C@H]1C(F)F)N1CCCC1 ZINC000571087882 398178437 /nfs/dbraw/zinc/17/84/37/398178437.db2.gz KFCANOIWLACQOW-VIFPVBQESA-N 0 3 247.289 0.148 20 0 BCADHN C[C@@H](C(=O)N1C[C@@H](N)Cc2ccccc21)N(C)C ZINC000649368848 398182269 /nfs/dbraw/zinc/18/22/69/398182269.db2.gz AOMFORJLYMQGCR-JQWIXIFHSA-N 0 3 247.342 0.853 20 0 BCADHN C[C@H](O)CCN1CCN(c2ccncc2)CC1 ZINC000649351919 398164123 /nfs/dbraw/zinc/16/41/23/398164123.db2.gz QSODNGJAMUXEKQ-LBPRGKRZSA-N 0 3 235.331 0.975 20 0 BCADHN O=C(CNC1CC1)NCc1ccc2c(c1)CCO2 ZINC000258622940 349516058 /nfs/dbraw/zinc/51/60/58/349516058.db2.gz CFFRYOUHOXSJJA-UHFFFAOYSA-N 0 3 246.310 0.990 20 0 BCADHN CC(C)OCCN(C)C[C@@H]1COCCO1 ZINC000649353165 398165988 /nfs/dbraw/zinc/16/59/88/398165988.db2.gz ZCQRTEFSNOAJHL-LLVKDONJSA-N 0 3 217.309 0.759 20 0 BCADHN CO[C@@H]1CN([C@@H]2CCCN(C)C2=O)CC[C@@H]1C ZINC000527123857 398167022 /nfs/dbraw/zinc/16/70/22/398167022.db2.gz COARWUTVJPFJOO-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)[C@H]1C[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000574889043 398186515 /nfs/dbraw/zinc/18/65/15/398186515.db2.gz ONGRXBJIGOJPDU-RHYQMDGZSA-N 0 3 240.347 0.412 20 0 BCADHN CCC(CC)C(=O)NC[C@@H]1CNCCO1 ZINC000036285060 168338099 /nfs/dbraw/zinc/33/80/99/168338099.db2.gz RQZFRRSGMDUCLE-JTQLQIEISA-N 0 3 214.309 0.527 20 0 BCADHN Cc1cc(F)ccc1CN1C[C@H](CO)[C@H](O)C1 ZINC000316557769 178085973 /nfs/dbraw/zinc/08/59/73/178085973.db2.gz SHUPZESAIRBBDD-DGCLKSJQSA-N 0 3 239.290 0.919 20 0 BCADHN CCC[C@H](CN[C@@H]1CC(=O)N(C)C1)OC ZINC000385979300 398192490 /nfs/dbraw/zinc/19/24/90/398192490.db2.gz CMLCUZLLHUTVJX-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1[C@@H](NCc2cnn(C)c2)CCCN1C ZINC000336747839 398196823 /nfs/dbraw/zinc/19/68/23/398196823.db2.gz SHCFTCRACYMXLF-PWSUYJOCSA-N 0 3 222.336 0.992 20 0 BCADHN COC(=O)[C@H]1CN(C)CCN(CC2(C)CC2)C1 ZINC000576249717 365538195 /nfs/dbraw/zinc/53/81/95/365538195.db2.gz NSHZAVRNFRUPTO-NSHDSACASA-N 0 3 240.347 0.823 20 0 BCADHN CC[C@H]1C[C@H](NCc2cn[nH]n2)CCO1 ZINC000398340861 398200945 /nfs/dbraw/zinc/20/09/45/398200945.db2.gz MXPSZYPVKSSYTF-SCZZXKLOSA-N 0 3 210.281 0.852 20 0 BCADHN C[C@H](N[C@H]1CCC[C@@]1(C)CO)C(=O)N(C)C ZINC000309521849 136218977 /nfs/dbraw/zinc/21/89/77/136218977.db2.gz CDZFLKVCGSRZSD-NHCYSSNCSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)C1(N)CCOCC1 ZINC000338149533 187326685 /nfs/dbraw/zinc/32/66/85/187326685.db2.gz GBOVCBYZQMLPNB-SNVBAGLBSA-N 0 3 244.335 0.018 20 0 BCADHN O[C@@H]1CC[C@H]1NCc1cnc(N2CCCC2)nc1 ZINC000576269331 365544057 /nfs/dbraw/zinc/54/40/57/365544057.db2.gz WIWXZFWWUZVUSM-VXGBXAGGSA-N 0 3 248.330 0.690 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCCN2C)C[C@@H](CO)O1 ZINC000386320350 398205693 /nfs/dbraw/zinc/20/56/93/398205693.db2.gz NIUJYGXVZRBZIM-UTUOFQBUSA-N 0 3 228.336 0.162 20 0 BCADHN 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NCC(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000576347299 365573482 /nfs/dbraw/zinc/57/34/82/365573482.db2.gz YBHPCHHOYJTYEK-UHFFFAOYSA-N 0 3 245.286 0.089 20 0 BCADHN Cc1cc(NC(=O)[C@H]2C[C@H](O)CN2)ccc1F ZINC000061119341 178148539 /nfs/dbraw/zinc/14/85/39/178148539.db2.gz HWPZSQLYVZWJQO-GXSJLCMTSA-N 0 3 238.262 0.795 20 0 BCADHN CC(C)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2N)CCO1 ZINC000331938430 187328829 /nfs/dbraw/zinc/32/88/29/187328829.db2.gz IDFMTHCUYZSYLB-VLEAKVRGSA-N 0 3 226.320 0.653 20 0 BCADHN CC(C)(CO)[C@@H](NCC(=O)N1CCC1)C1CC1 ZINC000339723239 187329257 /nfs/dbraw/zinc/32/92/57/187329257.db2.gz DBPNHAGOJOWKSL-LBPRGKRZSA-N 0 3 240.347 0.605 20 0 BCADHN CC(=O)NCCN(C)CCO[C@@H]1CCCCO1 ZINC000520806477 398210113 /nfs/dbraw/zinc/21/01/13/398210113.db2.gz TUUBGCKZXQBGFQ-GFCCVEGCSA-N 0 3 244.335 0.598 20 0 BCADHN CCOc1ncccc1CNC[C@H](C)O ZINC000576389403 365582930 /nfs/dbraw/zinc/58/29/30/365582930.db2.gz PTHJIULWVLVPEH-VIFPVBQESA-N 0 3 210.277 0.951 20 0 BCADHN Cc1cc(C(=O)N(CCN(C)C)C2CC2)ncn1 ZINC000576372785 365579655 /nfs/dbraw/zinc/57/96/55/365579655.db2.gz LXTCJHJKKBQWRY-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN CN(C)CCNC(=O)NCC(C)(F)F ZINC000576324684 365565587 /nfs/dbraw/zinc/56/55/87/365565587.db2.gz SNMBIYITAPNIRP-UHFFFAOYSA-N 0 3 209.240 0.502 20 0 BCADHN CC1(C)[C@@H](O)C[C@@H]1NCCCS(C)(=O)=O ZINC000163345500 538927999 /nfs/dbraw/zinc/92/79/99/538927999.db2.gz HQHOZIYASJRDSR-IUCAKERBSA-N 0 3 235.349 0.170 20 0 BCADHN Cc1cc(NCCN2CCCC2)n2ncnc2n1 ZINC000048322212 178161489 /nfs/dbraw/zinc/16/14/89/178161489.db2.gz XMFOKWYMHXCKMZ-UHFFFAOYSA-N 0 3 246.318 0.940 20 0 BCADHN CCn1nncc1CN[C@@H](CO)C1CCCC1 ZINC000576325100 365566406 /nfs/dbraw/zinc/56/64/06/365566406.db2.gz WHUQXEQFHTWYKE-LBPRGKRZSA-N 0 3 238.335 0.939 20 0 BCADHN CO[C@@H](CN1CCO[C@@]2(CCOC2)C1)C1CC1 ZINC000425430002 398224828 /nfs/dbraw/zinc/22/48/28/398224828.db2.gz CKCMIXSBPSQXKH-STQMWFEESA-N 0 3 241.331 0.903 20 0 BCADHN Cn1cnc2cc(CNC[C@@H](O)CO)ccc21 ZINC000259091923 187330256 /nfs/dbraw/zinc/33/02/56/187330256.db2.gz RUQPDMVKEYMMFG-SNVBAGLBSA-N 0 3 235.287 0.016 20 0 BCADHN CCCN(CC(F)F)C(=O)CN1CCNCC1 ZINC000387067258 398225480 /nfs/dbraw/zinc/22/54/80/398225480.db2.gz QCOIUJZXEUQROE-UHFFFAOYSA-N 0 3 249.305 0.395 20 0 BCADHN Cn1cnc2cc(CNC[C@H](O)CO)ccc21 ZINC000259091918 187330563 /nfs/dbraw/zinc/33/05/63/187330563.db2.gz RUQPDMVKEYMMFG-JTQLQIEISA-N 0 3 235.287 0.016 20 0 BCADHN CN1CCC(C(=O)N2CCCCO2)CC1 ZINC000336403848 187331065 /nfs/dbraw/zinc/33/10/65/187331065.db2.gz HIKADNIKSPUSAM-UHFFFAOYSA-N 0 3 212.293 0.882 20 0 BCADHN CCC[C@]1(C)C(=O)NCCN1C(=O)[C@@H](N)CC ZINC000639017050 398222425 /nfs/dbraw/zinc/22/24/25/398222425.db2.gz QFWQJBVIBQHXQF-JOYOIKCWSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CN(C)C ZINC000175774481 365594366 /nfs/dbraw/zinc/59/43/66/365594366.db2.gz SRAKONJUVDDNTO-MNOVXSKESA-N 0 3 227.352 0.347 20 0 BCADHN CC[C@H](C(=O)NCc1cc(OC)no1)N(C)C ZINC000640707748 361749612 /nfs/dbraw/zinc/74/96/12/361749612.db2.gz 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CCN(C)C(=O)CN[C@H]1C[C@@H](O)C1(C)C ZINC000164525037 538933588 /nfs/dbraw/zinc/93/35/88/538933588.db2.gz HLTZGBPASKOWHD-DTWKUNHWSA-N 0 3 214.309 0.214 20 0 BCADHN O=C(N[C@@H]1CCN2CCCC[C@H]12)C1CC(=O)C1 ZINC000334255177 136224867 /nfs/dbraw/zinc/22/48/67/136224867.db2.gz NRBKHAQMQRAPIA-VXGBXAGGSA-N 0 3 236.315 0.709 20 0 BCADHN C[C@@](O)(CO)CNCc1cc(F)cc(F)c1 ZINC000164810255 538934116 /nfs/dbraw/zinc/93/41/16/538934116.db2.gz ZGWVNVBYFLAAMW-NSHDSACASA-N 0 3 231.242 0.798 20 0 BCADHN O=C(C[C@H]1C=CCC1)NCCN1CC[C@H](O)C1 ZINC000629911435 361766851 /nfs/dbraw/zinc/76/68/51/361766851.db2.gz XGUWYLMLJZFRSX-RYUDHWBXSA-N 0 3 238.331 0.526 20 0 BCADHN CN(CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC000629952155 361796936 /nfs/dbraw/zinc/79/69/36/361796936.db2.gz KMTDDEOYJRQVIC-UHFFFAOYSA-N 0 3 239.363 0.681 20 0 BCADHN CCC(CC)CNC(=O)C(C)S(C)(=O)=O ZINC000104550786 168357556 /nfs/dbraw/zinc/35/75/56/168357556.db2.gz VNOWBXVJKOHEAS-QMMMGPOBSA-N 0 3 235.349 0.972 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](CC)C(=O)OC ZINC000602440460 349526509 /nfs/dbraw/zinc/52/65/09/349526509.db2.gz PGNGOHRKKNUQEZ-HTQZYQBOSA-N 0 3 216.281 0.052 20 0 BCADHN C[C@@H](C(=O)NCCN(C)C1CC1)c1cncnc1 ZINC000629953534 361799213 /nfs/dbraw/zinc/79/92/13/361799213.db2.gz ZFXNALMWDHRGMZ-SNVBAGLBSA-N 0 3 248.330 0.791 20 0 BCADHN Cn1cc(CCN2CC[C@H]3COC[C@@H]3C2)nn1 ZINC000625556885 343990665 /nfs/dbraw/zinc/99/06/65/343990665.db2.gz LZKGJKOXNIAJNL-QWRGUYRKSA-N 0 3 236.319 0.326 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCCn1cncn1 ZINC000381218517 398235937 /nfs/dbraw/zinc/23/59/37/398235937.db2.gz YYEUWJHBKORBDM-UWVGGRQHSA-N 0 3 239.323 0.158 20 0 BCADHN CN(CCc1ccncc1)CC1(CO)COC1 ZINC000258686516 323001669 /nfs/dbraw/zinc/00/16/69/323001669.db2.gz PXBMYYDBKQNBIK-UHFFFAOYSA-N 0 3 236.315 0.565 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)on1 ZINC000083118422 349524368 /nfs/dbraw/zinc/52/43/68/349524368.db2.gz FWGYBJKPHOVRMF-BDAKNGLRSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)on1 ZINC000083118421 349524400 /nfs/dbraw/zinc/52/44/00/349524400.db2.gz FWGYBJKPHOVRMF-IUCAKERBSA-N 0 3 223.276 0.805 20 0 BCADHN CCN1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000629943328 361783592 /nfs/dbraw/zinc/78/35/92/361783592.db2.gz TWISTRUOJQZFRZ-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CCN[C@H](C)C(=O)NCCC(=O)OC(C)C ZINC000602442137 349527399 /nfs/dbraw/zinc/52/73/99/349527399.db2.gz RGMNZPJGWZFVRX-SECBINFHSA-N 0 3 230.308 0.442 20 0 BCADHN CN(Cc1nnc[n-]1)C(=O)C[N@H+](C)C1CCC1 ZINC000629962618 361809666 /nfs/dbraw/zinc/80/96/66/361809666.db2.gz GIRKUKJQAJPADA-UHFFFAOYSA-N 0 3 237.307 0.247 20 0 BCADHN CN(Cc1nnc[n-]1)C(=O)C[N@@H+](C)C1CCC1 ZINC000629962618 361809669 /nfs/dbraw/zinc/80/96/69/361809669.db2.gz GIRKUKJQAJPADA-UHFFFAOYSA-N 0 3 237.307 0.247 20 0 BCADHN CN(CCc1nccs1)CCn1cncn1 ZINC000269899391 187334840 /nfs/dbraw/zinc/33/48/40/187334840.db2.gz WDNZTXKQPBJVAJ-UHFFFAOYSA-N 0 3 237.332 0.909 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCNC[C@@H]1C(F)F ZINC000576466260 365603522 /nfs/dbraw/zinc/60/35/22/365603522.db2.gz 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0.298 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N(C)CC(=O)NC1CC1 ZINC000036134675 398245947 /nfs/dbraw/zinc/24/59/47/398245947.db2.gz PORXNQYLUIRKEM-SNVBAGLBSA-N 0 3 241.335 0.097 20 0 BCADHN CO[C@@H](CN[C@@H](C)C(=O)N(C)C)[C@H]1CCOC1 ZINC000639101392 398246264 /nfs/dbraw/zinc/24/62/64/398246264.db2.gz ZXSGTFXDNQEUKG-DCAQKATOSA-N 0 3 244.335 0.104 20 0 BCADHN Cn1cc(CCCN2CCN(C)CC2)cn1 ZINC000097153216 398246730 /nfs/dbraw/zinc/24/67/30/398246730.db2.gz NRWPHXKRIZYLTA-UHFFFAOYSA-N 0 3 222.336 0.600 20 0 BCADHN CC[C@H](C)[C@H](CN[C@@H]1COC[C@@H]1O)OC ZINC000381294024 398250366 /nfs/dbraw/zinc/25/03/66/398250366.db2.gz OQZMBPCXZBXJTB-VLEAKVRGSA-N 0 3 217.309 0.397 20 0 BCADHN CC[C@@H](C)[C@H](CNCC(=O)NC1CC1)OC ZINC000381259552 398252852 /nfs/dbraw/zinc/25/28/52/398252852.db2.gz DLPXQXMBFCDOMR-KOLCDFICSA-N 0 3 228.336 0.916 20 0 BCADHN CC1(C)CCCN[C@H]1C(=O)NCc1c[nH]cn1 ZINC000232938304 136230059 /nfs/dbraw/zinc/23/00/59/136230059.db2.gz AWXIVNZNBWZAPR-JTQLQIEISA-N 0 3 236.319 0.804 20 0 BCADHN 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ZINC000602461235 349555734 /nfs/dbraw/zinc/55/57/34/349555734.db2.gz DUQCCNMBUXWWTE-VHSXEESVSA-N 0 3 244.335 0.688 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000381491583 398259692 /nfs/dbraw/zinc/25/96/92/398259692.db2.gz YCHXKJLCCPYZBX-LPEHRKFASA-N 0 3 214.309 0.655 20 0 BCADHN CNC(=O)Cc1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000384829744 398260010 /nfs/dbraw/zinc/26/00/10/398260010.db2.gz IPFNVXYDILVLJI-LLVKDONJSA-N 0 3 247.298 0.276 20 0 BCADHN CCN[C@H](C)C(=O)N[C@](C)(C(=O)OC)C1CC1 ZINC000602443641 349544839 /nfs/dbraw/zinc/54/48/39/349544839.db2.gz HAFGASPURDZMMG-PELKAZGASA-N 0 3 242.319 0.442 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@](C)(C(=O)OC)C1CC1 ZINC000602443642 349545390 /nfs/dbraw/zinc/54/53/90/349545390.db2.gz HAFGASPURDZMMG-PRHODGIISA-N 0 3 242.319 0.442 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@](C)(C(=O)OC)C1CC1 ZINC000602443644 349545585 /nfs/dbraw/zinc/54/55/85/349545585.db2.gz HAFGASPURDZMMG-UFBFGSQYSA-N 0 3 242.319 0.442 20 0 BCADHN C[C@@H](N)C(=O)N1CCC(F)(F)C[C@H]1C ZINC000606279459 488177593 /nfs/dbraw/zinc/17/75/93/488177593.db2.gz PGSHAXJLCIRRAZ-RNFRBKRXSA-N 0 3 206.236 0.980 20 0 BCADHN Cc1ccc(C(=O)N(C)C)cc1NC(=O)[C@@H](C)N ZINC000037024506 178374778 /nfs/dbraw/zinc/37/47/78/178374778.db2.gz TWYIVVBMOPMUPG-SECBINFHSA-N 0 3 249.314 0.983 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)N[C@H]1CCSC1 ZINC000417771156 398265603 /nfs/dbraw/zinc/26/56/03/398265603.db2.gz HFVPBFUESCANFK-AEJSXWLSSA-N 0 3 243.376 0.884 20 0 BCADHN Cc1nnc(CN(C)CCN2CCCC2)n1C ZINC000162121123 349569643 /nfs/dbraw/zinc/56/96/43/349569643.db2.gz QPINFVRVTNVFGH-UHFFFAOYSA-N 0 3 237.351 0.651 20 0 BCADHN Cc1ccc(C(=O)C(=O)N2CCCNCC2)cc1 ZINC000041297382 178369912 /nfs/dbraw/zinc/36/99/12/178369912.db2.gz VLCDEMSQBKTHMP-UHFFFAOYSA-N 0 3 246.310 1.000 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@H]1NCC1(C)C ZINC000381579164 398264884 /nfs/dbraw/zinc/26/48/84/398264884.db2.gz DSOMLESZDPZUSZ-DTWKUNHWSA-N 0 3 214.309 0.262 20 0 BCADHN Cc1ccc(C(=O)C(=O)N[C@H](C)CN)cc1 ZINC000274477155 178371812 /nfs/dbraw/zinc/37/18/12/178371812.db2.gz YUCQYFSIHTXSLM-SECBINFHSA-N 0 3 220.272 0.641 20 0 BCADHN Cc1c(CN2C[C@H](C)C[C@H](O)C2)cnn1C ZINC000334744986 136232340 /nfs/dbraw/zinc/23/23/40/136232340.db2.gz BSTITEATCBROHD-SKDRFNHKSA-N 0 3 223.320 0.931 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000602504192 349581306 /nfs/dbraw/zinc/58/13/06/349581306.db2.gz LTEZTXZOTAMIMS-KXUCPTDWSA-N 0 3 242.319 0.442 20 0 BCADHN Cc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)c(=O)[nH]1 ZINC000166502064 178399714 /nfs/dbraw/zinc/39/97/14/178399714.db2.gz CTNYQOWJZXIHDM-VHSXEESVSA-N 0 3 249.314 0.506 20 0 BCADHN COC(=O)c1cc(CNC[C@H]2CCOC2)on1 ZINC000602511327 349585066 /nfs/dbraw/zinc/58/50/66/349585066.db2.gz PXGFNLJQQVVTLS-MRVPVSSYSA-N 0 3 240.259 0.587 20 0 BCADHN CC[C@H](C(=O)NCC(=O)OC)N(CC)CC ZINC000345806407 136233338 /nfs/dbraw/zinc/23/33/38/136233338.db2.gz XVENLRCFRXSVBD-SECBINFHSA-N 0 3 230.308 0.396 20 0 BCADHN CC(C)CC(=O)NCCCN1CCN(C)CC1 ZINC000061524136 349589439 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GFEYTESJTCOYLA-SSDOTTSWSA-N 0 3 222.329 0.931 20 0 BCADHN CC(=O)NCCCN1CCSC[C@H]1C ZINC000172435874 346857276 /nfs/dbraw/zinc/85/72/76/346857276.db2.gz RCUXEEDDBWUSIH-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN C[C@@H](CN1CCOCC1)N1CCC(C)(O)CC1 ZINC000180714078 538959021 /nfs/dbraw/zinc/95/90/21/538959021.db2.gz ZMKKWJKJPLTFHS-LBPRGKRZSA-N 0 3 242.363 0.554 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000335381836 136234889 /nfs/dbraw/zinc/23/48/89/136234889.db2.gz VVYNZIFZXUPVOC-VIFPVBQESA-N 0 3 223.276 0.370 20 0 BCADHN CN(CC1(O)CCC1)[C@H]1CCCCN(C)C1=O ZINC000634740719 398278548 /nfs/dbraw/zinc/27/85/48/398278548.db2.gz GMBNEBASAJSGCG-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CO[C@H](C)[C@H](C)NC[C@H](O)C(F)(F)F ZINC000166809072 361854945 /nfs/dbraw/zinc/85/49/45/361854945.db2.gz AUNASWRLFWRGOM-XVMARJQXSA-N 0 3 215.215 0.923 20 0 BCADHN COC(=O)c1ccc(CNC[C@H]2C[C@@H](O)C2)[nH]1 ZINC000600209039 342700404 /nfs/dbraw/zinc/70/04/04/342700404.db2.gz WFZVCIFOPILDNW-WAAGHKOSSA-N 0 3 238.287 0.662 20 0 BCADHN COC(=O)c1ccc(CNC[C@H]2C[C@@H](O)C2)o1 ZINC000600209471 342700475 /nfs/dbraw/zinc/70/04/75/342700475.db2.gz YUHISOVAFISTKV-DTORHVGOSA-N 0 3 239.271 0.927 20 0 BCADHN COCCCCCNCc1cnnn1C ZINC000165495389 361841894 /nfs/dbraw/zinc/84/18/94/361841894.db2.gz OZGXJOCXRGTPOP-UHFFFAOYSA-N 0 3 212.297 0.721 20 0 BCADHN CC[C@@H]1CCN(C(=O)NCCNCCOC)C1 ZINC000418497235 192042412 /nfs/dbraw/zinc/04/24/12/192042412.db2.gz JUACBDMVVHTPHR-LLVKDONJSA-N 0 3 243.351 0.664 20 0 BCADHN Cc1ccc([C@H](N)C(=O)N2CCNCC2)cc1 ZINC000082653076 398277210 /nfs/dbraw/zinc/27/72/10/398277210.db2.gz YPUJPQFHQUXMAZ-LBPRGKRZSA-N 0 3 233.315 0.427 20 0 BCADHN CO[C@@H](C)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000167078439 361860204 /nfs/dbraw/zinc/86/02/04/361860204.db2.gz FKRUYUQFARZQFT-DTWKUNHWSA-N 0 3 221.322 0.188 20 0 BCADHN CN(CC(=O)N1C[C@H](O)C(C)(C)C1)C1CCC1 ZINC000629986968 361874900 /nfs/dbraw/zinc/87/49/00/361874900.db2.gz NDPAFQSSQJDNKR-NSHDSACASA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)Nc2nncs2)C1 ZINC000167384971 361864936 /nfs/dbraw/zinc/86/49/36/361864936.db2.gz BNCQDQFYLHWXNE-RQJHMYQMSA-N 0 3 226.305 0.865 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CCNC(=O)CC1)N(C)C ZINC000616358669 342720547 /nfs/dbraw/zinc/72/05/47/342720547.db2.gz TXQYQMQYXRJSOO-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCNC(=O)CC1 ZINC000616360425 342720737 /nfs/dbraw/zinc/72/07/37/342720737.db2.gz QVRGJLOYMDWMEH-SNVBAGLBSA-N 0 3 241.335 0.112 20 0 BCADHN CCN1CCN(CCCC(=O)OC)CC1 ZINC000037286309 361871433 /nfs/dbraw/zinc/87/14/33/361871433.db2.gz FVOVJEMFVSUZTG-UHFFFAOYSA-N 0 3 214.309 0.577 20 0 BCADHN COCCCNCc1snnc1C ZINC000381859916 398280379 /nfs/dbraw/zinc/28/03/79/398280379.db2.gz WHUYSGZUMJRJMX-UHFFFAOYSA-N 0 3 201.295 0.973 20 0 BCADHN CN(C(=O)[C@H]1NCC1(C)C)[C@H]1CCSC1 ZINC000381863504 398280464 /nfs/dbraw/zinc/28/04/64/398280464.db2.gz WRDGSBLRIDEEFY-DTWKUNHWSA-N 0 3 228.361 0.948 20 0 BCADHN C[C@@H]1COCCN1C(=O)CN(C)C1CCC1 ZINC000629988466 361872941 /nfs/dbraw/zinc/87/29/41/361872941.db2.gz VBQYYKBNRJPFBD-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN Cc1nccnc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000616386132 342750031 /nfs/dbraw/zinc/75/00/31/342750031.db2.gz MOVBRGMPHCSPID-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CN(C)CCNC(=O)C1(O)CCCCC1 ZINC000130783220 323011944 /nfs/dbraw/zinc/01/19/44/323011944.db2.gz UTNFFQYGMCGENJ-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C2(O)CCC2)CN1C1CC1 ZINC000184857082 538969465 /nfs/dbraw/zinc/96/94/65/538969465.db2.gz UZMAAJJFZDKIJZ-UWVGGRQHSA-N 0 3 238.331 0.643 20 0 BCADHN CCC1(O)CN(C(=O)CN(C)C2CCC2)C1 ZINC000629990876 361875963 /nfs/dbraw/zinc/87/59/63/361875963.db2.gz IZUGJTREFZYVSQ-UHFFFAOYSA-N 0 3 226.320 0.454 20 0 BCADHN CN(CCCO)C(=O)CN(C)C1CCC1 ZINC000629989337 361875995 /nfs/dbraw/zinc/87/59/95/361875995.db2.gz SKIMUBNYAPNLHD-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN COC[C@H]1CCN1C(=O)CN(C)C1CCC1 ZINC000629994813 361878049 /nfs/dbraw/zinc/87/80/49/361878049.db2.gz 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BCADHN C[C@](O)(C[C@H](O)CN1CC[C@](C)(O)C1)C1CC1 ZINC000630040805 361909434 /nfs/dbraw/zinc/90/94/34/361909434.db2.gz JNFCHWGKKUWWIX-AVGNSLFASA-N 0 3 243.347 0.355 20 0 BCADHN CCSCCNCC(=O)NC1CC1 ZINC000128880749 398290423 /nfs/dbraw/zinc/29/04/23/398290423.db2.gz NXGDVGNLPGSRSL-UHFFFAOYSA-N 0 3 202.323 0.608 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CO1 ZINC000402228315 398290538 /nfs/dbraw/zinc/29/05/38/398290538.db2.gz TVQPSNIQGPJZTN-RAIGVLPGSA-N 0 3 248.326 0.850 20 0 BCADHN CC[C@H](COC)NC(=O)/C=C\CN(C)C ZINC000491865140 529393168 /nfs/dbraw/zinc/39/31/68/529393168.db2.gz HANSORAODGMEFD-JYESYGNLSA-N 0 3 214.309 0.645 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)[C@H](C)CO ZINC000151187710 323012697 /nfs/dbraw/zinc/01/26/97/323012697.db2.gz CNXGUMNDNOSTMV-NXEZZACHSA-N 0 3 216.325 0.461 20 0 BCADHN Cc1cncc(NCCN2CC[C@@H](O)C2)n1 ZINC000624679057 342818261 /nfs/dbraw/zinc/81/82/61/342818261.db2.gz HGOSFEXTFJHRGI-SNVBAGLBSA-N 0 3 222.292 0.264 20 0 BCADHN COCC1(C)CN(C[C@H](O)CC2(O)CCC2)C1 ZINC000630048530 361917813 /nfs/dbraw/zinc/91/78/13/361917813.db2.gz LGPCRTNMUVGQEA-LLVKDONJSA-N 0 3 243.347 0.621 20 0 BCADHN Cn1cnc(CN[C@@H]2CCCC[C@H]2O)c1 ZINC000378722754 538973266 /nfs/dbraw/zinc/97/32/66/538973266.db2.gz HDQNOYGFTORBJM-GHMZBOCLSA-N 0 3 209.293 0.813 20 0 BCADHN CC1(C)CN(C[C@H](O)CC2(O)CCOCC2)C1 ZINC000630049231 361918848 /nfs/dbraw/zinc/91/88/48/361918848.db2.gz RGEHKVLGRZKWKO-LLVKDONJSA-N 0 3 243.347 0.621 20 0 BCADHN CC1(C)CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000336392462 342805302 /nfs/dbraw/zinc/80/53/02/342805302.db2.gz HNFOIBPCUYVZOF-ZCFIWIBFSA-N 0 3 240.225 0.513 20 0 BCADHN CO[C@H]1C[C@H](NCC(=O)N(C)C)C1(C)C ZINC000234793996 398289536 /nfs/dbraw/zinc/28/95/36/398289536.db2.gz GWKUYHFBVPBLTN-IUCAKERBSA-N 0 3 214.309 0.478 20 0 BCADHN CN1CC[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC000335517642 398290153 /nfs/dbraw/zinc/29/01/53/398290153.db2.gz XZHFEQOFAHVWDL-SNVBAGLBSA-N 0 3 248.330 0.511 20 0 BCADHN O=C(CCn1cccn1)N[C@@H]1CCN(C2CC2)C1 ZINC000067864352 342833615 /nfs/dbraw/zinc/83/36/15/342833615.db2.gz MQIYPYBMUOVFNN-LLVKDONJSA-N 0 3 248.330 0.626 20 0 BCADHN C/C=C/C[C@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000624766893 342828060 /nfs/dbraw/zinc/82/80/60/342828060.db2.gz WDMUNKLGQLQIAQ-HPOULIHZSA-N 0 3 248.334 0.879 20 0 BCADHN CCOCCO[C@H](C)C(=O)NCCN(C)CC ZINC000066948994 361925894 /nfs/dbraw/zinc/92/58/94/361925894.db2.gz XUMRWNRKDYGXFX-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCNC(C)(C)C1 ZINC000335621901 136239933 /nfs/dbraw/zinc/23/99/33/136239933.db2.gz BQNWFKPYVCDEPM-SECBINFHSA-N 0 3 225.336 0.337 20 0 BCADHN CCO[C@@H](C)C(=O)NCCN(C)CC ZINC000066949212 361927694 /nfs/dbraw/zinc/92/76/94/361927694.db2.gz QTYJGAMYEHBXKX-VIFPVBQESA-N 0 3 202.298 0.479 20 0 BCADHN CCO[C@H](C)C(=O)NCCN(C)CC ZINC000066949211 361927739 /nfs/dbraw/zinc/92/77/39/361927739.db2.gz QTYJGAMYEHBXKX-SECBINFHSA-N 0 3 202.298 0.479 20 0 BCADHN C/C=C\CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000624817967 342830777 /nfs/dbraw/zinc/83/07/77/342830777.db2.gz 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BCADHN C[C@@H]1CN(CCc2cn(C)nn2)CCS1 ZINC000625138575 342888470 /nfs/dbraw/zinc/88/84/70/342888470.db2.gz ZOCIYQOMBQGUQS-SECBINFHSA-N 0 3 226.349 0.795 20 0 BCADHN C[C@@H](O)CN[C@@H]1CCCc2c1cnn2C ZINC000035601396 342889858 /nfs/dbraw/zinc/88/98/58/342889858.db2.gz ATHLHCMRHKGDJW-PSASIEDQSA-N 0 3 209.293 0.768 20 0 BCADHN CCCCOC[C@@H](O)CNC[C@H](O)C(F)F ZINC000232989256 342891422 /nfs/dbraw/zinc/89/14/22/342891422.db2.gz OSURPIJVFSQMRI-IUCAKERBSA-N 0 3 241.278 0.380 20 0 BCADHN CC(C)C[C@@H](C)NC(=O)CN1CCNCC1 ZINC000037265524 398315210 /nfs/dbraw/zinc/31/52/10/398315210.db2.gz VPEAFJGOBDHQTN-LLVKDONJSA-N 0 3 227.352 0.442 20 0 BCADHN COCCNCCNC(=O)N(C)CC1CCC1 ZINC000418567412 192051835 /nfs/dbraw/zinc/05/18/35/192051835.db2.gz WWOSOGCFNXOREH-UHFFFAOYSA-N 0 3 243.351 0.664 20 0 BCADHN CCC1(O)CCN(CCc2cn(C)nn2)CC1 ZINC000625190773 342905677 /nfs/dbraw/zinc/90/56/77/342905677.db2.gz PZHDGLQPHQAZAA-UHFFFAOYSA-N 0 3 238.335 0.595 20 0 BCADHN CSC[C@@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000300855693 259327814 /nfs/dbraw/zinc/32/78/14/259327814.db2.gz KEHRTIAWUZCIIM-RKDXNWHRSA-N 0 3 232.349 0.090 20 0 BCADHN CC(C(=O)Nc1ccc[nH]c1=O)S(C)(=O)=O ZINC000625197411 342908235 /nfs/dbraw/zinc/90/82/35/342908235.db2.gz DJLFSGUVUYZCAQ-ZCFIWIBFSA-N 0 3 244.272 0.159 20 0 BCADHN CC[C@H]1COCCN1C(=O)[C@@H](N)C(C)C ZINC000036326578 342908845 /nfs/dbraw/zinc/90/88/45/342908845.db2.gz HWUQIACWGDVUMQ-UWVGGRQHSA-N 0 3 214.309 0.607 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N2CCCOCC2)C1 ZINC000167439860 136246235 /nfs/dbraw/zinc/24/62/35/136246235.db2.gz JSRRMRNIHBJEFS-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](CC)C(=O)OC ZINC000236891400 398322757 /nfs/dbraw/zinc/32/27/57/398322757.db2.gz UHEBDEUTSNXOEN-XHNCKOQMSA-N 0 3 230.308 0.428 20 0 BCADHN CCO[C@@H](CN1C[C@H](O)C[C@H](O)C1)C1CC1 ZINC000625204121 342910004 /nfs/dbraw/zinc/91/00/04/342910004.db2.gz LLWYODOWCDZTLI-TUAOUCFPSA-N 0 3 229.320 0.229 20 0 BCADHN CN([C@@H]1CCN(C2CC2)C1=O)[C@H]1CCC[C@@H]1O ZINC000352660707 398323199 /nfs/dbraw/zinc/32/31/99/398323199.db2.gz PKHROPRVSFVYPM-TUAOUCFPSA-N 0 3 238.331 0.595 20 0 BCADHN CCC[C@H](N)C(=O)N1CCCN(C)CC1 ZINC000036873044 342912799 /nfs/dbraw/zinc/91/27/99/342912799.db2.gz FRQZSTZLCBPSKQ-JTQLQIEISA-N 0 3 213.325 0.278 20 0 BCADHN CN[C@@H](C)C(=O)NC1(CC(=O)OC)CCC1 ZINC000584004730 342900359 /nfs/dbraw/zinc/90/03/59/342900359.db2.gz SWBQYPSXLGCRDK-QMMMGPOBSA-N 0 3 228.292 0.196 20 0 BCADHN CCCCNC(=O)CN1CC[C@@H](CO)[C@@H]1C ZINC000386013557 342901160 /nfs/dbraw/zinc/90/11/60/342901160.db2.gz UTFGBXSLQTUQHU-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN CCCCNC(=O)CN1CC[C@@H](CO)[C@H]1C ZINC000386013556 342901170 /nfs/dbraw/zinc/90/11/70/342901170.db2.gz UTFGBXSLQTUQHU-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN CN1C(=O)N[C@@]2(CCN([C@H]3C=CCCC3)C2)C1=O ZINC000264542072 398323929 /nfs/dbraw/zinc/32/39/29/398323929.db2.gz HVYUOUWPEZLBTJ-GXFFZTMASA-N 0 3 249.314 0.721 20 0 BCADHN Cc1n[nH]cc1CNCCc1cncn1C ZINC000401715255 342913468 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O=C(N[C@@H]1C=CCCC1)[C@H]1CN2CCN1CCC2 ZINC000560339468 398333456 /nfs/dbraw/zinc/33/34/56/398333456.db2.gz MCOSYQSKFZFJAZ-CHWSQXEVSA-N 0 3 249.358 0.601 20 0 BCADHN COC[C@H](C)CN1C[C@H](C)N(CCO)C[C@@H]1C ZINC000516916764 259331891 /nfs/dbraw/zinc/33/18/91/259331891.db2.gz QFGBXPKMFKAUOO-AGIUHOORSA-N 0 3 244.379 0.656 20 0 BCADHN CCC[C@](C)(N)C(=O)NC[C@H]1CCCO1 ZINC000037481275 342938027 /nfs/dbraw/zinc/93/80/27/342938027.db2.gz BDSLDLYNVQIUEK-KOLCDFICSA-N 0 3 214.309 0.799 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N(C)Cc1cnn(C)c1 ZINC000037800756 398334351 /nfs/dbraw/zinc/33/43/51/398334351.db2.gz XLQLKASFOCYQOS-LLVKDONJSA-N 0 3 238.335 0.752 20 0 BCADHN N[C@@H](CC(=O)NCc1nc[nH]n1)c1ccccc1 ZINC000037920097 398335358 /nfs/dbraw/zinc/33/53/58/398335358.db2.gz RSKFBWRQTIKQDQ-JTQLQIEISA-N 0 3 245.286 0.511 20 0 BCADHN COC[C@H](OC)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000668022715 488188654 /nfs/dbraw/zinc/18/86/54/488188654.db2.gz NYUSQQFRGHNJOZ-MNOVXSKESA-N 0 3 244.335 0.200 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2ccc(N)cn2)CCN1C ZINC000157324630 398340096 /nfs/dbraw/zinc/34/00/96/398340096.db2.gz VGEWWZLEUXRMFL-GXSJLCMTSA-N 0 3 248.330 0.876 20 0 BCADHN C[C@H](F)CCN1CC[C@@H](S(N)(=O)=O)C1 ZINC000351751700 136250943 /nfs/dbraw/zinc/25/09/43/136250943.db2.gz CVWLZAAXQVQPFS-JGVFFNPUSA-N 0 3 224.301 0.097 20 0 BCADHN COC(=O)[C@H](O)C1CCN(CC[C@H](C)F)CC1 ZINC000351752099 136251020 /nfs/dbraw/zinc/25/10/20/136251020.db2.gz MWOFVLVADBTOFV-GXSJLCMTSA-N 0 3 247.310 0.980 20 0 BCADHN C[C@@H](CO)N(C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000338644443 398343109 /nfs/dbraw/zinc/34/31/09/398343109.db2.gz SYPJUTYWTJXRST-VHSXEESVSA-N 0 3 241.335 0.245 20 0 BCADHN CC[C@@H](CNC(=O)/C=C\CN(C)C)OC ZINC000493803764 529475100 /nfs/dbraw/zinc/47/51/00/529475100.db2.gz QFETZUUDXATYIV-GFVADAIESA-N 0 3 214.309 0.645 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)CC(F)(F)CN)C1 ZINC000581376967 398344328 /nfs/dbraw/zinc/34/43/28/398344328.db2.gz QRWRXURJQRPGCK-SECBINFHSA-N 0 3 249.305 0.429 20 0 BCADHN CCCCCS(=O)(=O)C(C)C(N)=O ZINC000147497445 398344910 /nfs/dbraw/zinc/34/49/10/398344910.db2.gz KXXADGGUVQGEHZ-ZETCQYMHSA-N 0 3 207.295 0.465 20 0 BCADHN COC(=O)[C@H](O)C1CCN(CC[C@@H](C)F)CC1 ZINC000351752101 136251353 /nfs/dbraw/zinc/25/13/53/136251353.db2.gz MWOFVLVADBTOFV-MWLCHTKSSA-N 0 3 247.310 0.980 20 0 BCADHN CCN(C)CCNC(=O)C(C)(C)COC ZINC000151694137 323024158 /nfs/dbraw/zinc/02/41/58/323024158.db2.gz GHPOZESLJQUYFJ-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN NS(=O)(=O)[C@@H]1CCN(CCCCF)C1 ZINC000351759272 136252433 /nfs/dbraw/zinc/25/24/33/136252433.db2.gz RRWQYJZLADSKON-MRVPVSSYSA-N 0 3 224.301 0.099 20 0 BCADHN C[C@H](O)CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000351768281 136252895 /nfs/dbraw/zinc/25/28/95/136252895.db2.gz WVTNXYBSIRXAHH-JQWIXIFHSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1ccc(C(F)F)nc1 ZINC000631157872 346896103 /nfs/dbraw/zinc/89/61/03/346896103.db2.gz HYRSWURRBWRUQC-GMSGAONNSA-N 0 3 246.257 0.851 20 0 BCADHN CSCCNC(=O)C[C@@H]1CSCCN1 ZINC000085614519 346898143 /nfs/dbraw/zinc/89/81/43/346898143.db2.gz SPNGNUSYLPAKQM-MRVPVSSYSA-N 0 3 234.390 0.561 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)CNC(C)C)C1 ZINC000234844653 342955742 /nfs/dbraw/zinc/95/57/42/342955742.db2.gz WKVHMZCMIJSQHF-NXEZZACHSA-N 0 3 214.309 0.668 20 0 BCADHN CC[C@@H](CO)N(C)C[C@@H]1CN(C)C(=O)O1 ZINC000496156443 529504107 /nfs/dbraw/zinc/50/41/07/529504107.db2.gz GBVAPIZRCKGOMP-DTWKUNHWSA-N 0 3 216.281 0.140 20 0 BCADHN CNC(=O)c1cccc(CN2C[C@H](O)[C@@H](C)C2)c1 ZINC000351778145 136253734 /nfs/dbraw/zinc/25/37/34/136253734.db2.gz HKAIYGIESGLVKA-GWCFXTLKSA-N 0 3 248.326 0.859 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@@H](C)[C@H]1CO ZINC000576819225 365692668 /nfs/dbraw/zinc/69/26/68/365692668.db2.gz IAXUBLBHILQDPD-GHMZBOCLSA-N 0 3 243.351 0.397 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@H](C)[C@@H]1CO ZINC000576819235 365692677 /nfs/dbraw/zinc/69/26/77/365692677.db2.gz IAXUBLBHILQDPD-QWRGUYRKSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H]1CCN(CCc2cn(C)nn2)C[C@H]1CO ZINC000625581268 344017161 /nfs/dbraw/zinc/01/71/61/344017161.db2.gz MRUJBDKDDWFWJT-MNOVXSKESA-N 0 3 238.335 0.308 20 0 BCADHN C[C@H](F)CCN1CCN(CCO)[C@H](C)C1 ZINC000351831908 136256253 /nfs/dbraw/zinc/25/62/53/136256253.db2.gz DGNOQBYRJQPLQU-WDEREUQCSA-N 0 3 218.316 0.733 20 0 BCADHN CCOC(=O)c1ccc(CNC/C=C/CO)[nH]1 ZINC000602711215 349703999 /nfs/dbraw/zinc/70/39/99/349703999.db2.gz PUYGJWZAHGSQKY-ONEGZZNKSA-N 0 3 238.287 0.830 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCc2cncnc2C1 ZINC000353667140 187208996 /nfs/dbraw/zinc/20/89/96/187208996.db2.gz FUOMXMMURWCKHL-NSHDSACASA-N 0 3 234.303 0.345 20 0 BCADHN CC(C)COC[C@@H](O)CN(C)C1CC(O)C1 ZINC000353481898 187209467 /nfs/dbraw/zinc/20/94/67/187209467.db2.gz KZBOTIWYFIUVFP-MCIGGMRASA-N 0 3 231.336 0.475 20 0 BCADHN Cc1ncc(CNCCc2ccn(C)n2)cn1 ZINC000354643818 187209886 /nfs/dbraw/zinc/20/98/86/187209886.db2.gz QFJXADBBAWKMDB-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN CC[C@H](N)C(=O)NCCc1ccncc1 ZINC000048262372 342975560 /nfs/dbraw/zinc/97/55/60/342975560.db2.gz CALWRYLSTUWKDD-JTQLQIEISA-N 0 3 207.277 0.478 20 0 BCADHN CCC[C@@](C)(CO)NCc1cnnn1CC ZINC000417942288 488193323 /nfs/dbraw/zinc/19/33/23/488193323.db2.gz SUURYIPSOUNHGY-NSHDSACASA-N 0 3 226.324 0.939 20 0 BCADHN O=[S@@]1C[C@@H]2C[C@H]1CN2CCC[C@H]1CCO1 ZINC000602713607 349705612 /nfs/dbraw/zinc/70/56/12/349705612.db2.gz WKJLEGSMFPUOMB-USXUVBGUSA-N 0 3 229.345 0.761 20 0 BCADHN CC(C)[C@H]1CCCN1CCS(=O)(=O)N(C)C ZINC000351845280 136257109 /nfs/dbraw/zinc/25/71/09/136257109.db2.gz RRASJZYRJNTUDD-LLVKDONJSA-N 0 3 248.392 0.998 20 0 BCADHN COC1CC(N[C@@H](C)C(=O)N(C)C)C1 ZINC000221254429 536721013 /nfs/dbraw/zinc/72/10/13/536721013.db2.gz FOFBSDUVSZEJMI-UEJVZZJDSA-N 0 3 200.282 0.230 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)CNC2CC2)C1 ZINC000234919987 342965989 /nfs/dbraw/zinc/96/59/89/342965989.db2.gz NUNSXWQFDHNASP-VHSXEESVSA-N 0 3 212.293 0.422 20 0 BCADHN CC(=O)NC[C@H]1CCCN([C@H]2CCOC2)C1 ZINC000355757511 187212458 /nfs/dbraw/zinc/21/24/58/187212458.db2.gz YMHFFXJWQNHGRI-NEPJUHHUSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@@]1(O)CCN(C[C@H](O)C(F)(F)F)C1 ZINC000495244200 529574773 /nfs/dbraw/zinc/57/47/73/529574773.db2.gz RBASVGJVOFTNGH-JGVFFNPUSA-N 0 3 227.226 0.756 20 0 BCADHN CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000036873394 342992979 /nfs/dbraw/zinc/99/29/79/342992979.db2.gz IXFYQSHRLOHOCU-UWVGGRQHSA-N 0 3 241.335 0.193 20 0 BCADHN C[C@@H]1OCCN(CC[C@@H]2CCNC2=O)[C@H]1C ZINC000516935441 259337008 /nfs/dbraw/zinc/33/70/08/259337008.db2.gz YTOVIDFQBTUYDW-DCAQKATOSA-N 0 3 226.320 0.622 20 0 BCADHN NC1(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000638696634 352534634 /nfs/dbraw/zinc/53/46/34/352534634.db2.gz VRLLEUIKNLSFNQ-RKDXNWHRSA-N 0 3 210.277 0.161 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1Cc1cnn2c1CCC2 ZINC000668044954 488194520 /nfs/dbraw/zinc/19/45/20/488194520.db2.gz CUDAUHDSHLJIRB-MWLCHTKSSA-N 0 3 221.304 0.784 20 0 BCADHN C[C@H]1CCN(Cc2ccc(N)nc2)[C@H]1CO ZINC000299917728 488194535 /nfs/dbraw/zinc/19/45/35/488194535.db2.gz YGOJIKVSVBADLI-ONGXEEELSA-N 0 3 221.304 0.867 20 0 BCADHN CC[C@H]1CN(CCN(C#N)CC)C[C@@H]1O ZINC000602798688 349739347 /nfs/dbraw/zinc/73/93/47/349739347.db2.gz NWAPDGYLSYICLD-QWRGUYRKSA-N 0 3 211.309 0.492 20 0 BCADHN CC[C@@H]1CN(CCN(C#N)CC)C[C@H]1O ZINC000602798686 349739432 /nfs/dbraw/zinc/73/94/32/349739432.db2.gz NWAPDGYLSYICLD-GHMZBOCLSA-N 0 3 211.309 0.492 20 0 BCADHN COC[C@@H](C)NC(=O)[C@H]1NCCCC1(C)C ZINC000234673363 259339040 /nfs/dbraw/zinc/33/90/40/259339040.db2.gz NGLOZPDGHVUXGG-NXEZZACHSA-N 0 3 228.336 0.916 20 0 BCADHN CCN(C#N)CCNC1(CC(=O)OC)CCC1 ZINC000602805131 349744141 /nfs/dbraw/zinc/74/41/41/349744141.db2.gz MZKHOCIOBSZJRP-UHFFFAOYSA-N 0 3 239.319 0.865 20 0 BCADHN CN(C)CCSC[C@@H]1CCC(=O)N1 ZINC000388705512 346913935 /nfs/dbraw/zinc/91/39/35/346913935.db2.gz OGVDMPIVBMKRFR-QMMMGPOBSA-N 0 3 202.323 0.560 20 0 BCADHN CSCCNC(=O)N1CCCN(C)CC1 ZINC000608794146 343002653 /nfs/dbraw/zinc/00/26/53/343002653.db2.gz FFIYMHGUORQLAZ-UHFFFAOYSA-N 0 3 231.365 0.697 20 0 BCADHN CCN(C#N)CCN1CCN(CC)CC1 ZINC000602761608 349733247 /nfs/dbraw/zinc/73/32/47/349733247.db2.gz WKTCOHWUHXBPPU-UHFFFAOYSA-N 0 3 210.325 0.427 20 0 BCADHN COC(=O)[C@@H]1CCN(Cc2cc[nH]c(=O)c2)C1 ZINC000602763736 349734522 /nfs/dbraw/zinc/73/45/22/349734522.db2.gz CNQMXKVJBNKAMO-SNVBAGLBSA-N 0 3 236.271 0.782 20 0 BCADHN CC[C@H](C)N(CCO)CCN(C#N)CC ZINC000602825451 349764242 /nfs/dbraw/zinc/76/42/42/349764242.db2.gz AWYNGUXLAJUPOM-NSHDSACASA-N 0 3 213.325 0.882 20 0 BCADHN CCNC(=O)CN(CC)C[C@@H](C)COC ZINC000189570667 346915423 /nfs/dbraw/zinc/91/54/23/346915423.db2.gz BRXGLVULRQCZKC-SNVBAGLBSA-N 0 3 216.325 0.727 20 0 BCADHN CCNC(=O)CN(C[C@H]1CCOC1)C1CC1 ZINC000046092122 343020520 /nfs/dbraw/zinc/02/05/20/343020520.db2.gz QJHRBGDDKUEJPC-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CCN(C#N)CCN[C@@](C)(C(N)=O)C(C)C ZINC000602830624 349767900 /nfs/dbraw/zinc/76/79/00/349767900.db2.gz NIHQIDXWBCDWSS-LLVKDONJSA-N 0 3 226.324 0.279 20 0 BCADHN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000050457511 343022089 /nfs/dbraw/zinc/02/20/89/343022089.db2.gz NDAQHZNABQHMKP-BDAKNGLRSA-N 0 3 236.271 0.990 20 0 BCADHN CCN(C#N)CCN[C@](C)(C(N)=O)C(C)C ZINC000602831314 349767370 /nfs/dbraw/zinc/76/73/70/349767370.db2.gz NIHQIDXWBCDWSS-NSHDSACASA-N 0 3 226.324 0.279 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)C1CCOCC1 ZINC000067864490 349756969 /nfs/dbraw/zinc/75/69/69/349756969.db2.gz NHBAMZVCOAVGEK-NSHDSACASA-N 0 3 238.331 0.766 20 0 BCADHN Cn1ccc(NC(=O)N[C@@H]2CCCN(C)C2)n1 ZINC000144824931 343013283 /nfs/dbraw/zinc/01/32/83/343013283.db2.gz PIAYIMTZWWBZFR-SECBINFHSA-N 0 3 237.307 0.636 20 0 BCADHN CCO[C@H]1COCC[C@H]1NCCN(C#N)CC ZINC000602816358 349758628 /nfs/dbraw/zinc/75/86/28/349758628.db2.gz HWANKEBIKHWMQQ-NEPJUHHUSA-N 0 3 241.335 0.573 20 0 BCADHN CCO[C@@H]1COCC[C@@H]1NCCN(C#N)CC ZINC000602816359 349758965 /nfs/dbraw/zinc/75/89/65/349758965.db2.gz HWANKEBIKHWMQQ-NWDGAFQWSA-N 0 3 241.335 0.573 20 0 BCADHN CCN(C#N)CCN(CCO)C1CCOCC1 ZINC000602817008 349759161 /nfs/dbraw/zinc/75/91/61/349759161.db2.gz WBHLUAMVKXWDKG-UHFFFAOYSA-N 0 3 241.335 0.263 20 0 BCADHN CC1(C)CN(CCOCCO)[C@H]1[C@H]1CCCO1 ZINC000368070304 187220907 /nfs/dbraw/zinc/22/09/07/187220907.db2.gz BXYYILKIISXKMK-NEPJUHHUSA-N 0 3 243.347 0.885 20 0 BCADHN CC(=O)CCN1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000368506835 187221350 /nfs/dbraw/zinc/22/13/50/187221350.db2.gz FVTJOJWMEFYTBS-AAEUAGOBSA-N 0 3 240.347 0.761 20 0 BCADHN CCN(C#N)CCN[C@@H]1CCOC1(C)C ZINC000602837763 349777474 /nfs/dbraw/zinc/77/74/74/349777474.db2.gz ZYUOQZFXFBYFJX-SNVBAGLBSA-N 0 3 211.309 0.946 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000370365449 187222064 /nfs/dbraw/zinc/22/20/64/187222064.db2.gz FVZZHGAYRMOWAP-UTUOFQBUSA-N 0 3 240.347 0.855 20 0 BCADHN CCN(C#N)CCN[C@@H]1C[C@@H](O)C1(C)C ZINC000602842149 349780474 /nfs/dbraw/zinc/78/04/74/349780474.db2.gz QPJIGCOVYHXKSE-NXEZZACHSA-N 0 3 211.309 0.538 20 0 BCADHN CCN(C#N)CCN[C@@H]1C[C@H](O)C1(C)C ZINC000602842152 349780502 /nfs/dbraw/zinc/78/05/02/349780502.db2.gz QPJIGCOVYHXKSE-ZJUUUORDSA-N 0 3 211.309 0.538 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@](O)(C2CC2)C1 ZINC000373249288 187223831 /nfs/dbraw/zinc/22/38/31/187223831.db2.gz GZFOOCFDLSVRBY-ZDUSSCGKSA-N 0 3 240.347 0.700 20 0 BCADHN CCN(C#N)CCN1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000602843909 349781234 /nfs/dbraw/zinc/78/12/34/349781234.db2.gz LKZBLRVTCLQTDJ-NSHDSACASA-N 0 3 248.334 0.705 20 0 BCADHN CCN(C#N)CCN1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000602843909 349781237 /nfs/dbraw/zinc/78/12/37/349781237.db2.gz LKZBLRVTCLQTDJ-NSHDSACASA-N 0 3 248.334 0.705 20 0 BCADHN CCN(C#N)CCN1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000602843909 349781241 /nfs/dbraw/zinc/78/12/41/349781241.db2.gz LKZBLRVTCLQTDJ-NSHDSACASA-N 0 3 248.334 0.705 20 0 BCADHN CCN(C#N)CCN1C[C@@H](C)C[C@H](CO)C1 ZINC000602844121 349781622 /nfs/dbraw/zinc/78/16/22/349781622.db2.gz ALSNAJSPAAIPEX-RYUDHWBXSA-N 0 3 225.336 0.740 20 0 BCADHN CCN(C#N)CCNC1(COC)CCOCC1 ZINC000602832524 349768477 /nfs/dbraw/zinc/76/84/77/349768477.db2.gz OOTFGXATUCGUSZ-UHFFFAOYSA-N 0 3 241.335 0.575 20 0 BCADHN CCN(C#N)CCN1CC[C@H]([C@@H](C)O)C1 ZINC000602808454 349770494 /nfs/dbraw/zinc/77/04/94/349770494.db2.gz WAVMJCAEYAUJOX-MNOVXSKESA-N 0 3 211.309 0.492 20 0 BCADHN CNC(=O)CN1CCC[C@H]1[C@H]1CCCO1 ZINC000336626619 136264435 /nfs/dbraw/zinc/26/44/35/136264435.db2.gz RKOZSTCFUZPINM-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN O=C1C[C@H](N2CCC3(CCC3)C2)C(=O)N1 ZINC000582129916 346921556 /nfs/dbraw/zinc/92/15/56/346921556.db2.gz JGRVLRGSVKZCRZ-QMMMGPOBSA-N 0 3 208.261 0.278 20 0 BCADHN CN(CCc1ccccn1)C(=O)C(C)(C)N ZINC000048607950 343048103 /nfs/dbraw/zinc/04/81/03/343048103.db2.gz GMOZOPXDTFVONU-UHFFFAOYSA-N 0 3 221.304 0.820 20 0 BCADHN CCOC[C@H](O)CNCc1cn(C)nc1C ZINC000162664287 349789881 /nfs/dbraw/zinc/78/98/81/349789881.db2.gz FYMWSKJEUGGKFO-LLVKDONJSA-N 0 3 227.308 0.216 20 0 BCADHN CSC[C@H](O)CN1CCC(CO)CC1 ZINC000187740547 259345951 /nfs/dbraw/zinc/34/59/51/259345951.db2.gz SPDZTSWSNDMSFC-SNVBAGLBSA-N 0 3 219.350 0.415 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000310217611 192059028 /nfs/dbraw/zinc/05/90/28/192059028.db2.gz JHDLNTOZUYFVHS-GMTAPVOTSA-N 0 3 240.347 0.604 20 0 BCADHN COCC1(C2CC2)CN(CCC(N)=O)C1 ZINC000634652075 343062234 /nfs/dbraw/zinc/06/22/34/343062234.db2.gz HCCKDMJAFFIKQT-UHFFFAOYSA-N 0 3 212.293 0.220 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N(C)Cc1nccn1C ZINC000037823006 187230031 /nfs/dbraw/zinc/23/00/31/187230031.db2.gz ZNKQBQJBACMTKS-SNVBAGLBSA-N 0 3 238.335 0.752 20 0 BCADHN CCCCN1CCCNC[C@@H]1C(=O)OC ZINC000309852098 343065852 /nfs/dbraw/zinc/06/58/52/343065852.db2.gz YILQEVDEMWHPNF-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CN(C)C(=O)C(C)(C)NCc1cccn1C ZINC000119150422 343067771 /nfs/dbraw/zinc/06/77/71/343067771.db2.gz RQDDJDVATOAROR-UHFFFAOYSA-N 0 3 223.320 0.982 20 0 BCADHN Nc1ccccc1NC(=O)C[C@@H]1CNCCO1 ZINC000119290608 343071443 /nfs/dbraw/zinc/07/14/43/343071443.db2.gz ARSDZDBUGSIOLJ-SECBINFHSA-N 0 3 235.287 0.586 20 0 BCADHN C[C@@H]1C[C@H](N(C)C(=O)CN(C)C)CCN1C ZINC000175100583 362026728 /nfs/dbraw/zinc/02/67/28/362026728.db2.gz 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ZINC000052165218 343320723 /nfs/dbraw/zinc/32/07/23/343320723.db2.gz VQMNSIPQFCUCCN-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN NCc1ccccc1OCC(=O)NC1CC1 ZINC000021963948 187254231 /nfs/dbraw/zinc/25/42/31/187254231.db2.gz FOSAZJHCPZCVQH-UHFFFAOYSA-N 0 3 220.272 0.803 20 0 BCADHN CN(C)CCc1cn(CCCn2ccnc2)nn1 ZINC000641054974 362166618 /nfs/dbraw/zinc/16/66/18/362166618.db2.gz KRDOLGDIVVPBGY-UHFFFAOYSA-N 0 3 248.334 0.669 20 0 BCADHN C[C@@H](CN1CCOCC1)NCc1cnn(C)c1 ZINC000036932628 343328092 /nfs/dbraw/zinc/32/80/92/343328092.db2.gz VFGFXQZPXLWVRR-NSHDSACASA-N 0 3 238.335 0.230 20 0 BCADHN COC[C@H](C)N1CCC(C(=O)OC)CC1 ZINC000070378420 343328408 /nfs/dbraw/zinc/32/84/08/343328408.db2.gz YVTQCHOKDYLSDV-VIFPVBQESA-N 0 3 215.293 0.906 20 0 BCADHN COCCOCCN(C)CCC(=O)OC ZINC000070482968 343328474 /nfs/dbraw/zinc/32/84/74/343328474.db2.gz MXYPXUVKGBVMNT-UHFFFAOYSA-N 0 3 219.281 0.144 20 0 BCADHN Cc1ccc(NC(=O)[C@H](C)N)cc1-n1cnnn1 ZINC000037002827 343329941 /nfs/dbraw/zinc/32/99/41/343329941.db2.gz RQCRILISOLYPRG-QMMMGPOBSA-N 0 3 246.274 0.256 20 0 BCADHN Cc1c([C@@H](C)NC(=O)[C@H](N)C(C)C)cnn1C ZINC000037001385 343330023 /nfs/dbraw/zinc/33/00/23/343330023.db2.gz OAUROUWMNQNUNE-LDYMZIIASA-N 0 3 238.335 0.889 20 0 BCADHN C([C@H]1CCCOC1)N1CCN2CCOC[C@@H]2C1 ZINC000348771928 136297985 /nfs/dbraw/zinc/29/79/85/136297985.db2.gz IDCRUOAGQFPZKL-OLZOCXBDSA-N 0 3 240.347 0.429 20 0 BCADHN C[C@@H]1C[C@@H](NCC(=O)NC2CC2)CCO1 ZINC000069861853 343293604 /nfs/dbraw/zinc/29/36/04/343293604.db2.gz MHTIVFYVXUPSFF-SCZZXKLOSA-N 0 3 212.293 0.422 20 0 BCADHN C[C@@H](CNC(=O)N1CCO[C@H](C)C1)N(C)C ZINC000334635732 136292859 /nfs/dbraw/zinc/29/28/59/136292859.db2.gz NNFIIBOWSZHIJO-VHSXEESVSA-N 0 3 229.324 0.367 20 0 BCADHN CC(C)C(=O)NCCN(C)C[C@H]1CCOC1 ZINC000347960765 136293143 /nfs/dbraw/zinc/29/31/43/136293143.db2.gz RNZZWPOKJMZBPI-LLVKDONJSA-N 0 3 228.336 0.727 20 0 BCADHN CCOC(=O)CCN(C)[C@@H]1CCOC1 ZINC000070072915 343297464 /nfs/dbraw/zinc/29/74/64/343297464.db2.gz LEVWHFMVLKRTNB-SECBINFHSA-N 0 3 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ZINC000037801105 343355930 /nfs/dbraw/zinc/35/59/30/343355930.db2.gz AUTOMCRUOVHEFU-QMMMGPOBSA-N 0 3 236.271 0.721 20 0 BCADHN CCOCCCn1cc(CCN(C)C)nn1 ZINC000641062333 362171831 /nfs/dbraw/zinc/17/18/31/362171831.db2.gz ORATYFDZYRTRFL-UHFFFAOYSA-N 0 3 226.324 0.809 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000037818360 343357099 /nfs/dbraw/zinc/35/70/99/343357099.db2.gz DWBIMIXFAAKDNU-ZYHUDNBSSA-N 0 3 234.299 0.934 20 0 BCADHN CC(=O)Nc1cccc([C@@H](C)NC(=O)CN)c1 ZINC000037900992 343359751 /nfs/dbraw/zinc/35/97/51/343359751.db2.gz YYCHTTVAXFMZKQ-MRVPVSSYSA-N 0 3 235.287 0.781 20 0 BCADHN Cn1cc(CCN2C[C@H](O)C(C)(C)C2)nn1 ZINC000625380906 343365601 /nfs/dbraw/zinc/36/56/01/343365601.db2.gz MWXYBAAUIPAULE-JTQLQIEISA-N 0 3 224.308 0.060 20 0 BCADHN C[C@H](CNC(=O)[C@H](N)Cc1ccccc1)N(C)C ZINC000038089225 343370089 /nfs/dbraw/zinc/37/00/89/343370089.db2.gz LCGLZGUTFIYPSW-DGCLKSJQSA-N 0 3 249.358 0.623 20 0 BCADHN CO[C@H]1CCN(CCc2cn(C)nn2)[C@@H](C)C1 ZINC000625393696 343375917 /nfs/dbraw/zinc/37/59/17/343375917.db2.gz MQSOMHWZCGTHNG-JQWIXIFHSA-N 0 3 238.335 0.857 20 0 BCADHN CO[C@@H]1CCN(CCc2cn(C)nn2)[C@H](C)C1 ZINC000625393784 343375958 /nfs/dbraw/zinc/37/59/58/343375958.db2.gz MQSOMHWZCGTHNG-ZYHUDNBSSA-N 0 3 238.335 0.857 20 0 BCADHN CC[C@@H](COC)NCC(=O)NC(C)C ZINC000070623875 343335799 /nfs/dbraw/zinc/33/57/99/343335799.db2.gz YSMQQFXCJNVFIP-VIFPVBQESA-N 0 3 202.298 0.526 20 0 BCADHN CC[C@@H](COC)N[C@@H]1CCCCNC1=O ZINC000070623991 343335856 /nfs/dbraw/zinc/33/58/56/343335856.db2.gz ZTCDPBAWGBLWPU-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCCOC1 ZINC000071023651 343342703 /nfs/dbraw/zinc/34/27/03/343342703.db2.gz PDHZXEJGMVOUCG-IVZWLZJFSA-N 0 3 214.309 0.655 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(CC)[C@H]1CCOC1 ZINC000310186883 343377804 /nfs/dbraw/zinc/37/78/04/343377804.db2.gz YRFBFZLMJLZDHD-WDEREUQCSA-N 0 3 245.319 0.411 20 0 BCADHN O=C(C[C@H]1CCOC1)N[C@H]1CNCCC1(F)F ZINC000335653267 136305451 /nfs/dbraw/zinc/30/54/51/136305451.db2.gz FUMIDOUYLPVBJW-BDAKNGLRSA-N 0 3 248.273 0.526 20 0 BCADHN Cc1cccc(NC(=O)C(=O)NC2CNC2)c1 ZINC000335639076 136302833 /nfs/dbraw/zinc/30/28/33/136302833.db2.gz VWYXXNZQCIIRBD-UHFFFAOYSA-N 0 3 233.271 0.022 20 0 BCADHN CN(C)CCN(C)Cc1ccc2c(c1)nnn2C ZINC000348902752 136304600 /nfs/dbraw/zinc/30/46/00/136304600.db2.gz DXIGTBMGNBTUFZ-UHFFFAOYSA-N 0 3 247.346 0.962 20 0 BCADHN CSCC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000335652154 136305375 /nfs/dbraw/zinc/30/53/75/136305375.db2.gz PDPXBECJHSYUID-NSHDSACASA-N 0 3 228.361 0.904 20 0 BCADHN C[C@H](F)CCN1CCCN(C(N)=O)CC1 ZINC000335672596 136317057 /nfs/dbraw/zinc/31/70/57/136317057.db2.gz ISCNJUXJNZHOHZ-VIFPVBQESA-N 0 3 217.288 0.821 20 0 BCADHN CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCCN(C)C1 ZINC000335675448 136318204 /nfs/dbraw/zinc/31/82/04/136318204.db2.gz ANRYJVWTNNMPOG-NEPJUHHUSA-N 0 3 239.363 0.633 20 0 BCADHN Cc1cc(N)cc(CNC(=O)C(C)(C)N)c1 ZINC000335653518 136305615 /nfs/dbraw/zinc/30/56/15/136305615.db2.gz KMJIDRQVGHUHSW-UHFFFAOYSA-N 0 3 221.304 0.931 20 0 BCADHN CCOC(=O)CN1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000602874514 349806155 /nfs/dbraw/zinc/80/61/55/349806155.db2.gz OGNPVDREIYGUSX-PHIMTYICSA-N 0 3 228.336 0.964 20 0 BCADHN CO[C@@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000335654385 136306003 /nfs/dbraw/zinc/30/60/03/136306003.db2.gz UWTWZKBUFMLTSH-NKWVEPMBSA-N 0 3 222.235 0.135 20 0 BCADHN CO[C@@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000335654384 136306224 /nfs/dbraw/zinc/30/62/24/136306224.db2.gz UWTWZKBUFMLTSH-BQBZGAKWSA-N 0 3 222.235 0.135 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCSCC1 ZINC000335658000 136306785 /nfs/dbraw/zinc/30/67/85/136306785.db2.gz REDLIXOYZXHBAB-MRVPVSSYSA-N 0 3 214.334 0.702 20 0 BCADHN COC[C@H](O)CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000348957933 136310354 /nfs/dbraw/zinc/31/03/54/136310354.db2.gz SACBOPQXJVMUDE-OUAUKWLOSA-N 0 3 216.325 0.018 20 0 BCADHN O=C(CCOC1CNC1)N(CC(F)F)C1CC1 ZINC000349012546 136311563 /nfs/dbraw/zinc/31/15/63/136311563.db2.gz ZUSKNFFELJNMBV-UHFFFAOYSA-N 0 3 248.273 0.621 20 0 BCADHN O=C(CCOC1CNC1)NC(C1CC1)C1CC1 ZINC000348996815 136314012 /nfs/dbraw/zinc/31/40/12/136314012.db2.gz XZORWKONQIAIDH-UHFFFAOYSA-N 0 3 238.331 0.670 20 0 BCADHN CCC1(NC(=O)CCOC2CNC2)CCC1 ZINC000348992110 136314042 /nfs/dbraw/zinc/31/40/42/136314042.db2.gz HMBUQHUAQMLNPJ-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN CN(Cc1ccco1)C(=O)CCOC1CNC1 ZINC000348993003 136314099 /nfs/dbraw/zinc/31/40/99/136314099.db2.gz PZACVZPNHXVMLE-UHFFFAOYSA-N 0 3 238.287 0.617 20 0 BCADHN Cc1noc(C)c1NC(=O)CCOC1CNC1 ZINC000348994727 136314247 /nfs/dbraw/zinc/31/42/47/136314247.db2.gz TWNWMGDDBDBWTH-UHFFFAOYSA-N 0 3 239.275 0.608 20 0 BCADHN O=C(CCOC1CNC1)NCCc1ccccn1 ZINC000348990605 136314272 /nfs/dbraw/zinc/31/42/72/136314272.db2.gz LTYKIYNBDPHYMC-UHFFFAOYSA-N 0 3 249.314 0.119 20 0 BCADHN O=C(CCOC1CNC1)NCc1cccnc1 ZINC000348994652 136314363 /nfs/dbraw/zinc/31/43/63/136314363.db2.gz STLBJYJSQDSAEB-UHFFFAOYSA-N 0 3 235.287 0.076 20 0 BCADHN CN(C)CCc1cn(Cc2cncc(F)c2)nn1 ZINC000641074216 362184322 /nfs/dbraw/zinc/18/43/22/362184322.db2.gz YLZYNCAIJCKXGI-UHFFFAOYSA-N 0 3 249.293 0.965 20 0 BCADHN O=C(Cc1ccon1)N[C@@H]1CNCCC1(F)F ZINC000335661296 136315090 /nfs/dbraw/zinc/31/50/90/136315090.db2.gz APBUPQWIZPRXBT-MRVPVSSYSA-N 0 3 245.229 0.331 20 0 BCADHN CCC[C@@H]1C[C@H]1NC(=O)CCOC1CNC1 ZINC000349002985 136315314 /nfs/dbraw/zinc/31/53/14/136315314.db2.gz PZYDGPWAVLAHHO-MWLCHTKSSA-N 0 3 226.320 0.670 20 0 BCADHN Cc1cc(NC(=O)CCOC2CNC2)n(C)n1 ZINC000349003410 136315335 /nfs/dbraw/zinc/31/53/35/136315335.db2.gz QHFQNTXYKOKADJ-UHFFFAOYSA-N 0 3 238.291 0.046 20 0 BCADHN CC(C)[C@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000349003424 136315576 /nfs/dbraw/zinc/31/55/76/136315576.db2.gz QIYDNVCHTDLCKR-NSHDSACASA-N 0 3 240.347 0.869 20 0 BCADHN O=C(Nc1ccc2c(c1)CNC2)[C@@H]1CSCN1 ZINC000335662344 136315640 /nfs/dbraw/zinc/31/56/40/136315640.db2.gz JRNZBDKHNFJACM-NSHDSACASA-N 0 3 249.339 0.891 20 0 BCADHN C[C@@H](NC(=O)CCOC1CNC1)[C@@H]1CCCO1 ZINC000349060166 136321349 /nfs/dbraw/zinc/32/13/49/136321349.db2.gz UJSBQXOCXNNSHZ-KOLCDFICSA-N 0 3 242.319 0.049 20 0 BCADHN C[C@@H]1CCCN(C(=O)CCOC2CNC2)C1 ZINC000349056066 136321373 /nfs/dbraw/zinc/32/13/73/136321373.db2.gz KMGXHOAKTNWNQU-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H]1C[C@H](C)N(C(=O)CCOC2CNC2)C1 ZINC000349055882 136321385 /nfs/dbraw/zinc/32/13/85/136321385.db2.gz PKYGFVJGIHWUTK-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N1CCNCC1 ZINC000039102543 343384525 /nfs/dbraw/zinc/38/45/25/343384525.db2.gz HUPNWUGAQMUASO-NSHDSACASA-N 0 3 225.336 0.293 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)CN(C)C)CCN1C ZINC000335687493 136323754 /nfs/dbraw/zinc/32/37/54/136323754.db2.gz AIJRADXBQLFFAG-NXEZZACHSA-N 0 3 213.325 0.147 20 0 BCADHN C[C@H]1C[C@H](NC(=O)CN(C)C)CCN1C ZINC000335687495 136323976 /nfs/dbraw/zinc/32/39/76/136323976.db2.gz AIJRADXBQLFFAG-VHSXEESVSA-N 0 3 213.325 0.147 20 0 BCADHN O=C(CNC1CC1)N1CCC2(C1)CCOCC2 ZINC000310213045 343393048 /nfs/dbraw/zinc/39/30/48/343393048.db2.gz HLLPCIZYMIBBLP-UHFFFAOYSA-N 0 3 238.331 0.768 20 0 BCADHN CCCN1CC[C@H](NC(=O)c2nccc(C)n2)C1 ZINC000619902573 343399993 /nfs/dbraw/zinc/39/99/93/343399993.db2.gz KWVOOUZZMMIGIQ-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN CC(C(=O)NC1C(C)(C)C1(C)C)S(C)(=O)=O ZINC000335692738 136325831 /nfs/dbraw/zinc/32/58/31/136325831.db2.gz YKWIOUHTKJYABZ-SSDOTTSWSA-N 0 3 247.360 0.970 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC000619904468 343405147 /nfs/dbraw/zinc/40/51/47/343405147.db2.gz KVQYEZHRMPGJHE-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H](N)C(=O)NCCCn1cnc2ccccc21 ZINC000040809434 343409535 /nfs/dbraw/zinc/40/95/35/343409535.db2.gz PSYSFBNHKWBPAX-SNVBAGLBSA-N 0 3 246.314 0.890 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000040827137 343410131 /nfs/dbraw/zinc/41/01/31/343410131.db2.gz SVYOTDPACJPRGH-BDAKNGLRSA-N 0 3 241.360 0.814 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCCn1ccnc1 ZINC000041051009 343414314 /nfs/dbraw/zinc/41/43/14/343414314.db2.gz GMVBIONEPDHOSK-SECBINFHSA-N 0 3 224.308 0.373 20 0 BCADHN CCOC(=O)C[C@H](O)CSCCN(C)C ZINC000135007309 343423892 /nfs/dbraw/zinc/42/38/92/343423892.db2.gz DDOUNSARSQIWQT-VIFPVBQESA-N 0 3 235.349 0.595 20 0 BCADHN COC[C@@H](N)Cc1cn(CC2CC=CC2)nn1 ZINC000641078682 362190482 /nfs/dbraw/zinc/19/04/82/362190482.db2.gz GZIFRFMAUNCVJO-NSHDSACASA-N 0 3 236.319 0.761 20 0 BCADHN CCOCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000081565843 343418660 /nfs/dbraw/zinc/41/86/60/343418660.db2.gz CRAVKYQARZDZFV-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2(O)CCC2)CCN1C ZINC000335680717 136328593 /nfs/dbraw/zinc/32/85/93/136328593.db2.gz KSNFNDKGXQAZAQ-NXEZZACHSA-N 0 3 226.320 0.500 20 0 BCADHN C[C@@H]1CN(C(=O)CCOC2CNC2)C[C@@H](C)O1 ZINC000349040489 136320619 /nfs/dbraw/zinc/32/06/19/136320619.db2.gz ATIOGKUFWLKXTM-NXEZZACHSA-N 0 3 242.319 0.001 20 0 BCADHN CC[C@@H](Cn1cc(C[C@H](N)COC)nn1)OC ZINC000641079862 362193604 /nfs/dbraw/zinc/19/36/04/362193604.db2.gz GNIZPRLHFPIVTC-ONGXEEELSA-N 0 3 242.323 0.219 20 0 BCADHN CO[C@@H](C)Cn1cc(CCN(C)C)nn1 ZINC000641082761 362200881 /nfs/dbraw/zinc/20/08/81/362200881.db2.gz QDZVMKTTZXGGPV-VIFPVBQESA-N 0 3 212.297 0.417 20 0 BCADHN C[C@@]1(O)CCCN(C[C@@H]2CCC(=O)N2)C1 ZINC000231645484 488218544 /nfs/dbraw/zinc/21/85/44/488218544.db2.gz XTOXHPVMINVXNA-GXSJLCMTSA-N 0 3 212.293 0.112 20 0 BCADHN CN1CCC(O)(CNC(=O)C2(C)CCC2)CC1 ZINC000335727260 136347630 /nfs/dbraw/zinc/34/76/30/136347630.db2.gz OUZDIJXAPFKJNL-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@H](O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000335728848 136348068 /nfs/dbraw/zinc/34/80/68/136348068.db2.gz RPHGOTAZSIJFJH-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CN1CC[C@]2(CCN(S(=O)(=O)C3CC3)C2)C1 ZINC000335734856 136350409 /nfs/dbraw/zinc/35/04/09/136350409.db2.gz ZTUFUAJVPVFFTL-NSHDSACASA-N 0 3 244.360 0.506 20 0 BCADHN CC(C)[C@@H]1CN([C@@H]2CCCNC2=O)CCN1C ZINC000335681435 136329018 /nfs/dbraw/zinc/32/90/18/136329018.db2.gz BDVUVMCAGNUJIB-NEPJUHHUSA-N 0 3 239.363 0.537 20 0 BCADHN COC1CCN(C(=O)NCCN(C)C)CC1 ZINC000349178906 136330564 /nfs/dbraw/zinc/33/05/64/136330564.db2.gz IZNURWAKOQFOJW-UHFFFAOYSA-N 0 3 229.324 0.368 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H]1C(=O)OC ZINC000349247549 136333111 /nfs/dbraw/zinc/33/31/11/136333111.db2.gz PFFMBDYBHQGLQE-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN C[C@@H]1CCN(C)CCN1Cc1cnn(C)c1 ZINC000335706137 136336029 /nfs/dbraw/zinc/33/60/29/136336029.db2.gz WKXGJYIVJARBDB-LLVKDONJSA-N 0 3 222.336 0.946 20 0 BCADHN C[C@H](O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000335709107 136336782 /nfs/dbraw/zinc/33/67/82/136336782.db2.gz NUWUVCVOXAQKDT-NWDGAFQWSA-N 0 3 240.347 0.844 20 0 BCADHN CCC[C@H](N)c1cn(Cc2ccnn2C)nn1 ZINC000641092239 362218771 /nfs/dbraw/zinc/21/87/71/362218771.db2.gz GNQUDEOTHNBWOW-JTQLQIEISA-N 0 3 234.307 0.860 20 0 BCADHN CC(C)N(C)CCN[C@H](C)CS(C)(=O)=O ZINC000081901099 343433929 /nfs/dbraw/zinc/43/39/29/343433929.db2.gz ZKPDAXHKTFZYJD-SNVBAGLBSA-N 0 3 236.381 0.349 20 0 BCADHN COCC[C@H](C)N[C@@H](C)CS(C)(=O)=O ZINC000081901336 343434023 /nfs/dbraw/zinc/43/40/23/343434023.db2.gz IXSASRQEXMECFW-IUCAKERBSA-N 0 3 223.338 0.434 20 0 BCADHN CC[C@@H](COC)N[C@H](C)CS(C)(=O)=O ZINC000081901294 343434028 /nfs/dbraw/zinc/43/40/28/343434028.db2.gz QSIFFXMHDZXHSX-BDAKNGLRSA-N 0 3 223.338 0.434 20 0 BCADHN CC(C)CN1CC[C@H](S(N)(=O)=O)C1 ZINC000335715778 136339001 /nfs/dbraw/zinc/33/90/01/136339001.db2.gz VBJGNVCCXJPJNZ-QMMMGPOBSA-N 0 3 206.311 0.005 20 0 BCADHN CC1(CN2CCC[C@@H](S(N)(=O)=O)C2)CCC1 ZINC000335717938 136339784 /nfs/dbraw/zinc/33/97/84/136339784.db2.gz IXHHDJHVVSTFID-SNVBAGLBSA-N 0 3 246.376 0.930 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cccc(N(C)C)n1 ZINC000569988706 323046691 /nfs/dbraw/zinc/04/66/91/323046691.db2.gz UYFMMTMFNDDAPL-QMMMGPOBSA-N 0 3 222.292 0.694 20 0 BCADHN CNCc1cn(CCCCn2ccnc2C)nn1 ZINC000641150670 362240926 /nfs/dbraw/zinc/24/09/26/362240926.db2.gz QIBWFBIYJIKXSV-UHFFFAOYSA-N 0 3 248.334 0.983 20 0 BCADHN CC1(C)CC[C@H](CN2C[C@H](O)C[C@H]2CO)O1 ZINC000360340412 343448700 /nfs/dbraw/zinc/44/87/00/343448700.db2.gz ZJKCGYVXCUMAHN-HBNTYKKESA-N 0 3 229.320 0.372 20 0 BCADHN CCOCCN(CC)C(=O)[C@H](N)C(C)C ZINC000082538390 343449270 /nfs/dbraw/zinc/44/92/70/343449270.db2.gz CQXDHUNUQSTEHV-SNVBAGLBSA-N 0 3 216.325 0.855 20 0 BCADHN O=C1NCCCC[C@@H]1N1CCC2(CCO2)CC1 ZINC000367103341 136356777 /nfs/dbraw/zinc/35/67/77/136356777.db2.gz ZZOFFJXMJBHXCM-NSHDSACASA-N 0 3 238.331 0.910 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCCSCC1 ZINC000135022606 343450393 /nfs/dbraw/zinc/45/03/93/343450393.db2.gz HXPKRPFUQNCOQF-SNVBAGLBSA-N 0 3 247.360 0.739 20 0 BCADHN Cc1nn(C)c(C)c1CN(C)CCC(N)=O ZINC000350440930 136360410 /nfs/dbraw/zinc/36/04/10/136360410.db2.gz UYQDVJRSHIFDPN-UHFFFAOYSA-N 0 3 224.308 0.344 20 0 BCADHN CC[C@@](C)(N)c1cn(C[C@@H](COC)OC)nn1 ZINC000641106388 362226861 /nfs/dbraw/zinc/22/68/61/362226861.db2.gz JNNJEFLAUJMMBE-GXSJLCMTSA-N 0 3 242.323 0.523 20 0 BCADHN COC[C@@H](Cn1cc([C@@H](N)C(C)C)nn1)OC ZINC000641108428 362226920 /nfs/dbraw/zinc/22/69/20/362226920.db2.gz OSHRJPRZRMVMGP-KOLCDFICSA-N 0 3 242.323 0.595 20 0 BCADHN OCC1(NC[C@@H](O)C(F)(F)F)CCCC1 ZINC000082681131 343459861 /nfs/dbraw/zinc/45/98/61/343459861.db2.gz SIFXDPSHIWBFIE-SSDOTTSWSA-N 0 3 227.226 0.804 20 0 BCADHN CN(C[C@H](O)CN1CC[C@](C)(F)C1)C1CC1 ZINC000351575252 136369146 /nfs/dbraw/zinc/36/91/46/136369146.db2.gz SEPNPKOEDXOTEU-RYUDHWBXSA-N 0 3 230.327 0.875 20 0 BCADHN CCO[C@H]1COCC[C@@H]1NCc1cnnn1C ZINC000351581116 136369496 /nfs/dbraw/zinc/36/94/96/136369496.db2.gz MROWSVRIMGDNGL-QWRGUYRKSA-N 0 3 240.307 0.099 20 0 BCADHN Cn1cc([C@H](CO)NCCc2ccncc2)cn1 ZINC000351605759 136370283 /nfs/dbraw/zinc/37/02/83/136370283.db2.gz RBXORYSAPZTXFE-ZDUSSCGKSA-N 0 3 246.314 0.681 20 0 BCADHN COCC[C@H](C)N[C@H]1CCCS(=O)(=O)C1 ZINC000082681697 343459929 /nfs/dbraw/zinc/45/99/29/343459929.db2.gz RVQWKNRVIPJPNX-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN CSCC[C@H](N)C(=O)NCc1cscn1 ZINC000082626662 343457198 /nfs/dbraw/zinc/45/71/98/343457198.db2.gz RRVGBMIAHXNXSJ-QMMMGPOBSA-N 0 3 245.373 0.840 20 0 BCADHN CNC(C)(C)c1cn(CCn2ccnc2)nn1 ZINC000641122861 362231499 /nfs/dbraw/zinc/23/14/99/362231499.db2.gz CELAYGGPRVXXDT-UHFFFAOYSA-N 0 3 234.307 0.629 20 0 BCADHN CC(C)CCS(=O)(=O)N[C@@H]1CCCNC1 ZINC000082628981 343457798 /nfs/dbraw/zinc/45/77/98/343457798.db2.gz YKXUSPYNABQPOM-SNVBAGLBSA-N 0 3 234.365 0.704 20 0 BCADHN CCOC[C@H](C)NC[C@@H](O)C(F)(F)F ZINC000082681041 343459977 /nfs/dbraw/zinc/45/99/77/343459977.db2.gz HLKPAIYWBRNWHZ-NKWVEPMBSA-N 0 3 215.215 0.924 20 0 BCADHN CC(O)C1CCN(C(=O)C2CC3CCC2O3)C1 ZINC000357117455 136372718 /nfs/dbraw/zinc/37/27/18/136372718.db2.gz OJZMPQMYPHLOCW-HHHUOAJASA-N 0 3 239.315 0.783 20 0 BCADHN OCCN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000408426345 133489464 /nfs/dbraw/zinc/48/94/64/133489464.db2.gz SJWMVUOGFKSVLJ-SNVBAGLBSA-N 0 3 236.319 0.785 20 0 BCADHN COCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC000582130625 346942661 /nfs/dbraw/zinc/94/26/61/346942661.db2.gz JEQCCIIJVFEWGX-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN Cc1c(F)cccc1NC(=O)[C@@H]1C[C@@H](O)CN1 ZINC000043322102 343467864 /nfs/dbraw/zinc/46/78/64/343467864.db2.gz DJKNVNJRXDXUKH-KCJUWKMLSA-N 0 3 238.262 0.795 20 0 BCADHN C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)C ZINC000616488096 343469898 /nfs/dbraw/zinc/46/98/98/343469898.db2.gz IHLWHACQFHEZEY-ZETCQYMHSA-N 0 3 244.726 0.753 20 0 BCADHN CCC[C@@H]1C[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000570056210 323048681 /nfs/dbraw/zinc/04/86/81/323048681.db2.gz PWJXNBQCEBARRG-WYUUTHIRSA-N 0 3 240.347 0.556 20 0 BCADHN Cc1nccn1CC(=O)NC[C@H](C)N(C)C ZINC000616487165 343472846 /nfs/dbraw/zinc/47/28/46/343472846.db2.gz RCKMAGUEUSOPCS-VIFPVBQESA-N 0 3 224.308 0.258 20 0 BCADHN Cc1nnc(CC(=O)NC[C@H](C)N(C)C)s1 ZINC000616487140 343472970 /nfs/dbraw/zinc/47/29/70/343472970.db2.gz QDXJWZVEXQJKGJ-ZETCQYMHSA-N 0 3 242.348 0.455 20 0 BCADHN NCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000083888635 343505926 /nfs/dbraw/zinc/50/59/26/343505926.db2.gz XDQIPKRBRVEFKS-QMMMGPOBSA-N 0 3 225.317 0.808 20 0 BCADHN C[C@@H](N)C(=O)NCC1Cc2ccccc2C1 ZINC000083934985 343510244 /nfs/dbraw/zinc/51/02/44/343510244.db2.gz UEUOZIDQXLJSDR-SECBINFHSA-N 0 3 218.300 0.865 20 0 BCADHN CN(CCC(N)=O)Cc1ccc(C(N)=O)cc1 ZINC000044834746 343516411 /nfs/dbraw/zinc/51/64/11/343516411.db2.gz RBOBLMAUUJDGGF-UHFFFAOYSA-N 0 3 235.287 0.093 20 0 BCADHN CC(C(=O)NCCc1ccco1)S(C)(=O)=O ZINC000047741914 343517464 /nfs/dbraw/zinc/51/74/64/343517464.db2.gz VSBZCMWANKBFAT-MRVPVSSYSA-N 0 3 245.300 0.371 20 0 BCADHN FC(F)[C@H]1CNCCN1Cc1csnn1 ZINC000379461791 343522599 /nfs/dbraw/zinc/52/25/99/343522599.db2.gz UAFAAHMFEIVPAI-SSDOTTSWSA-N 0 3 234.275 0.577 20 0 BCADHN C[C@@H]1OCC[C@H]1Cn1cc(CCN(C)C)nn1 ZINC000641160884 362246607 /nfs/dbraw/zinc/24/66/07/362246607.db2.gz RFDRRAGWOQATJF-QWRGUYRKSA-N 0 3 238.335 0.807 20 0 BCADHN CC(C)(C)CCS(=O)(=O)NC1CNC1 ZINC000123842824 343499817 /nfs/dbraw/zinc/49/98/17/343499817.db2.gz SVLMODSPWIWQAC-UHFFFAOYSA-N 0 3 220.338 0.314 20 0 BCADHN CCOC(=O)CCCN1C[C@@H](O)C[C@]1(C)CO ZINC000602900282 349815589 /nfs/dbraw/zinc/81/55/89/349815589.db2.gz SODNCQQTZVLJSK-CMPLNLGQSA-N 0 3 245.319 0.147 20 0 BCADHN C[C@@H](N[C@H]1CCN(C)C1)c1cnn(C)c1 ZINC000044500346 343504422 /nfs/dbraw/zinc/50/44/22/343504422.db2.gz JICIEUHOMGRVSF-KOLCDFICSA-N 0 3 208.309 0.775 20 0 BCADHN CCN(C#N)CCN1C[C@@H]2COC[C@@]2(C)C1 ZINC000602896727 349814142 /nfs/dbraw/zinc/81/41/42/349814142.db2.gz QSQBPXTUAYVHRB-VXGBXAGGSA-N 0 3 223.320 0.758 20 0 BCADHN Cc1ncoc1C(=O)NCC1(N(C)C)CC1 ZINC000622721321 343573943 /nfs/dbraw/zinc/57/39/43/343573943.db2.gz LNJRZYSYRVFRSV-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN Cc1nn(C)cc1C(=O)NCC1(N(C)C)CC1 ZINC000622721320 343573997 /nfs/dbraw/zinc/57/39/97/343573997.db2.gz LMVHKIMSJXFUOC-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H](NC(C)=O)C1)N(C)C ZINC000622724421 343574701 /nfs/dbraw/zinc/57/47/01/343574701.db2.gz COPVZPAAUSZWOV-WDEREUQCSA-N 0 3 241.335 0.064 20 0 BCADHN CCN1CCC(NC(=O)CSC)CC1 ZINC000047432153 343561812 /nfs/dbraw/zinc/56/18/12/343561812.db2.gz QLPYJOZTNVHOND-UHFFFAOYSA-N 0 3 216.350 0.950 20 0 BCADHN CNC(=O)CN[C@H](CO)C1CCCCC1 ZINC000379963640 365767754 /nfs/dbraw/zinc/76/77/54/365767754.db2.gz XYFXYIYNYLXSAR-SNVBAGLBSA-N 0 3 214.309 0.263 20 0 BCADHN CC(C)CC[C@H](O)CNC1(C(N)=O)CC1 ZINC000308994028 346946730 /nfs/dbraw/zinc/94/67/30/346946730.db2.gz LXSJBOHCVBUFQD-VIFPVBQESA-N 0 3 214.309 0.391 20 0 BCADHN CNCc1ccccc1NC(=O)c1cn(C)nn1 ZINC000310745858 343565828 /nfs/dbraw/zinc/56/58/28/343565828.db2.gz IXTGYRFDWSKWTO-UHFFFAOYSA-N 0 3 245.286 0.787 20 0 BCADHN CC(C)(N)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000040922226 187263903 /nfs/dbraw/zinc/26/39/03/187263903.db2.gz HINMDLYPEKZEOX-UHFFFAOYSA-N 0 3 235.243 0.797 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCc1[nH]cnc1C ZINC000379974842 365772661 /nfs/dbraw/zinc/77/26/61/365772661.db2.gz QASNIXBNGBQWRE-OIBJUYFYSA-N 0 3 224.308 0.708 20 0 BCADHN CC(C)CN(c1nc(N)nc(N)n1)C1CC1 ZINC000623843747 343593772 /nfs/dbraw/zinc/59/37/72/343593772.db2.gz WEBGHAQYWTZMGK-UHFFFAOYSA-N 0 3 222.296 0.322 20 0 BCADHN COCC1(N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000379980794 365777845 /nfs/dbraw/zinc/77/78/45/365777845.db2.gz HIGPRIBSYRIJDY-SECBINFHSA-N 0 3 233.333 0.332 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)Cc1ccon1 ZINC000622728846 343579670 /nfs/dbraw/zinc/57/96/70/343579670.db2.gz LZQOJYZCAUAKIR-LLVKDONJSA-N 0 3 237.303 0.770 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)c1c[nH]cn1 ZINC000622729327 343580178 /nfs/dbraw/zinc/58/01/78/343580178.db2.gz WPJGPCHOBYDNLF-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN Cc1nc(C(=O)N(C)C[C@H]2CCCN2C)c[nH]1 ZINC000622728421 343581345 /nfs/dbraw/zinc/58/13/45/343581345.db2.gz BILJBIDHAFANKP-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN CCOC(=O)CC1(NCC(C)=O)CCOCC1 ZINC000602906166 349819032 /nfs/dbraw/zinc/81/90/32/349819032.db2.gz QPVNOOQYSACUOG-UHFFFAOYSA-N 0 3 243.303 0.667 20 0 BCADHN CCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000176485392 365783226 /nfs/dbraw/zinc/78/32/26/365783226.db2.gz NIJFZOVGULTCEW-RKDXNWHRSA-N 0 3 211.309 0.931 20 0 BCADHN CN(Cc1ccnc(N)c1)CC(C)(C)O ZINC000086274863 343616492 /nfs/dbraw/zinc/61/64/92/343616492.db2.gz GFKQYUFQHPHXMU-UHFFFAOYSA-N 0 3 209.293 0.867 20 0 BCADHN CN(CC1CN(C)C1)C(=O)c1cnc[nH]1 ZINC000618193769 343601323 /nfs/dbraw/zinc/60/13/23/343601323.db2.gz CYMHAUPIMVTLSC-UHFFFAOYSA-N 0 3 208.265 0.043 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@H](n2cncn2)C1 ZINC000366602373 187343324 /nfs/dbraw/zinc/34/33/24/187343324.db2.gz NHBTUMMNZROPPJ-QWRGUYRKSA-N 0 3 224.308 0.542 20 0 BCADHN CNC(=O)CN1CCN(CC(C)C)CC1 ZINC000049969242 343607362 /nfs/dbraw/zinc/60/73/62/343607362.db2.gz KZNCYVITGYYLFY-UHFFFAOYSA-N 0 3 213.325 0.006 20 0 BCADHN CCN(C)C(=O)CN[C@H](CO)C(C)C ZINC000086123394 343611090 /nfs/dbraw/zinc/61/10/90/343611090.db2.gz XMSLJYAYPIHCQR-SECBINFHSA-N 0 3 202.298 0.071 20 0 BCADHN CC[C@@H](N)C(=O)N(C)CCCn1ccnc1 ZINC000152891862 343611280 /nfs/dbraw/zinc/61/12/80/343611280.db2.gz YMRSPOXMMPBIOH-SNVBAGLBSA-N 0 3 224.308 0.469 20 0 BCADHN CCOC(=O)CC[C@@H](C)NC(=O)[C@H](N)CC ZINC000152931096 343611925 /nfs/dbraw/zinc/61/19/25/343611925.db2.gz 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529805949 /nfs/dbraw/zinc/80/59/49/529805949.db2.gz ZOHIKKBYZCYPRD-UWVGGRQHSA-N 0 3 228.292 0.596 20 0 BCADHN CN1CC[C@H](NC(=O)OCCCF)C1 ZINC000495996552 529806036 /nfs/dbraw/zinc/80/60/36/529806036.db2.gz YFEBIYHPVYIFIZ-QMMMGPOBSA-N 0 3 204.245 0.776 20 0 BCADHN CC[C@H]1CN(C(=O)C2(N)CCC2)CCO1 ZINC000088050371 343698256 /nfs/dbraw/zinc/69/82/56/343698256.db2.gz JVRLBVFGLFAXRX-VIFPVBQESA-N 0 3 212.293 0.505 20 0 BCADHN CCOCCN(CC)C(=O)C1(N)CCC1 ZINC000088051169 343698333 /nfs/dbraw/zinc/69/83/33/343698333.db2.gz AISOVAKGEDYLIY-UHFFFAOYSA-N 0 3 214.309 0.753 20 0 BCADHN C[C@]1(CNC(=O)C2(N)CCC2)CCCO1 ZINC000088051567 343699017 /nfs/dbraw/zinc/69/90/17/343699017.db2.gz USQSAHYOPRMVHA-SNVBAGLBSA-N 0 3 212.293 0.553 20 0 BCADHN NC(=O)c1ccc(CN2CC[C@@H](C(N)=O)C2)cc1 ZINC000048038940 343703953 /nfs/dbraw/zinc/70/39/53/343703953.db2.gz ISKQWGZNYLCLKW-LLVKDONJSA-N 0 3 247.298 0.093 20 0 BCADHN C[C@@H]1CO[C@@H](CO)CN1C[C@@H]1CCOC1 ZINC000088094247 343705817 /nfs/dbraw/zinc/70/58/17/343705817.db2.gz 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CC[C@@H](N[C@H]1CCCS(=O)(=O)C1)C(C)(C)O ZINC000340503028 343717900 /nfs/dbraw/zinc/71/79/00/343717900.db2.gz NBWGRQCYRHWRTB-VHSXEESVSA-N 0 3 249.376 0.703 20 0 BCADHN CCOCCN1CC[C@@H](C(=O)OC)C1 ZINC000088300506 343719607 /nfs/dbraw/zinc/71/96/07/343719607.db2.gz LHEDNVXIDJCNDG-SECBINFHSA-N 0 3 201.266 0.518 20 0 BCADHN CN1CCCC[C@H](CNS(C)(=O)=O)C1 ZINC000625420716 343722504 /nfs/dbraw/zinc/72/25/04/343722504.db2.gz QENQZCSKDRFGSD-SECBINFHSA-N 0 3 220.338 0.268 20 0 BCADHN O=C1[C@H](N[C@H]2CCCOC2)CCN1C1CCC1 ZINC000624342347 343723422 /nfs/dbraw/zinc/72/34/22/343723422.db2.gz CMPVGIUTLZPZMM-CMPLNLGQSA-N 0 3 238.331 0.908 20 0 BCADHN CSCC(=O)NC1CCN(C)CC1 ZINC000061497274 343725824 /nfs/dbraw/zinc/72/58/24/343725824.db2.gz XKYVCAQJBQACEE-UHFFFAOYSA-N 0 3 202.323 0.560 20 0 BCADHN CN(C[C@@H](O)CC1(O)CCC1)C1(CO)CC1 ZINC000625426353 343727255 /nfs/dbraw/zinc/72/72/55/343727255.db2.gz QRKXMGNABPOZBG-JTQLQIEISA-N 0 3 229.320 0.109 20 0 BCADHN CN1C[C@@H](CN2CCC(C)(CO)CC2)OC1=O ZINC000495589465 529817138 /nfs/dbraw/zinc/81/71/38/529817138.db2.gz AKLRMHWZZJDECU-JTQLQIEISA-N 0 3 242.319 0.531 20 0 BCADHN CN1C[C@@H](CN(CCO)C2CCC2)OC1=O ZINC000496840400 529817209 /nfs/dbraw/zinc/81/72/09/529817209.db2.gz PKFUNUCVYMMKKZ-JTQLQIEISA-N 0 3 228.292 0.284 20 0 BCADHN CN1C[C@@H](CN2CC[C@H](CCO)C2)OC1=O ZINC000496911306 529817877 /nfs/dbraw/zinc/81/78/77/529817877.db2.gz WELILINZVFIENY-ZJUUUORDSA-N 0 3 228.292 0.141 20 0 BCADHN CNCCNS(=O)(=O)CCC(F)(F)F ZINC000624354914 343730894 /nfs/dbraw/zinc/73/08/94/343730894.db2.gz VTNNYCNUKCVPQC-UHFFFAOYSA-N 0 3 234.243 0.078 20 0 BCADHN COCCN1CC[C@@H](N[C@H](C)c2ncc[nH]2)C1 ZINC000285930846 537808082 /nfs/dbraw/zinc/80/80/82/537808082.db2.gz FEVQYLNZSDDIEH-GHMZBOCLSA-N 0 3 238.335 0.781 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC(C)(F)CC1 ZINC000602993386 349848346 /nfs/dbraw/zinc/84/83/46/349848346.db2.gz ZQTGTAZQDRWQHT-LLVKDONJSA-N 0 3 233.283 0.734 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@H]1CC12CC2 ZINC000584168555 343768300 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/nfs/dbraw/zinc/75/60/27/343756027.db2.gz QXLABYXVKIWOCY-BDAKNGLRSA-N 0 3 244.316 0.698 20 0 BCADHN CCN(CCc1cn(C)nn1)[C@H](C)CO ZINC000625443929 343756423 /nfs/dbraw/zinc/75/64/23/343756423.db2.gz RDUKEOUOPVFOAI-SECBINFHSA-N 0 3 212.297 0.060 20 0 BCADHN C[C@@H]1CN(c2ncnc3c2ncn3C)C[C@H](C)N1 ZINC000624407331 343756980 /nfs/dbraw/zinc/75/69/80/343756980.db2.gz YTSSWNVFJKFSQI-DTORHVGOSA-N 0 3 246.318 0.550 20 0 BCADHN CN(CC(=O)NC1CC1)C[C@H]1CCSC1 ZINC000495073990 529832293 /nfs/dbraw/zinc/83/22/93/529832293.db2.gz KIVXGUZVUYQYRY-SECBINFHSA-N 0 3 228.361 0.950 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccncn1 ZINC000623027776 346965155 /nfs/dbraw/zinc/96/51/55/346965155.db2.gz WUVHMHMQTSMYOV-QWRGUYRKSA-N 0 3 248.330 0.966 20 0 BCADHN CC(=O)C1(C(=O)N2CC[C@@H](CN(C)C)C2)CC1 ZINC000340340956 187348569 /nfs/dbraw/zinc/34/85/69/187348569.db2.gz ROGSSPVLPSQIQR-NSHDSACASA-N 0 3 238.331 0.766 20 0 BCADHN Cn1cc(CCN2CC[C@H](n3cccn3)C2)nn1 ZINC000625444738 343762663 /nfs/dbraw/zinc/76/26/63/343762663.db2.gz PCDDWJSZPONNTH-LBPRGKRZSA-N 0 3 246.318 0.501 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccncn1 ZINC000623027775 346965284 /nfs/dbraw/zinc/96/52/84/346965284.db2.gz WUVHMHMQTSMYOV-PHIMTYICSA-N 0 3 248.330 0.966 20 0 BCADHN COCCN(CCC(=O)OC)C[C@@H]1CCCO1 ZINC000096537543 343764082 /nfs/dbraw/zinc/76/40/82/343764082.db2.gz CEJZXFKAWQKCQT-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN CNC(=O)CCNCc1ccc(OC)nc1 ZINC000062070602 529858695 /nfs/dbraw/zinc/85/86/95/529858695.db2.gz FTHUPVDSPQKKMD-UHFFFAOYSA-N 0 3 223.276 0.316 20 0 BCADHN CN(CCC(N)=O)C(=O)CC1CCN(C)CC1 ZINC000488427193 529874999 /nfs/dbraw/zinc/87/49/99/529874999.db2.gz FTNWKBCKEVPUJR-UHFFFAOYSA-N 0 3 241.335 0.052 20 0 BCADHN CCN(CC(C)C)C(=O)NC[C@@H]1CNCCO1 ZINC000418761165 192066495 /nfs/dbraw/zinc/06/64/95/192066495.db2.gz HNUKRLHNQPUFAZ-NSHDSACASA-N 0 3 243.351 0.662 20 0 BCADHN CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000487819641 529878704 /nfs/dbraw/zinc/87/87/04/529878704.db2.gz JJRSVKGWKATHQY-GMTAPVOTSA-N 0 3 225.336 0.988 20 0 BCADHN C[C@@H]1CCCCN(CC(=O)N2CCOCC2)C1 ZINC000187913835 259371117 /nfs/dbraw/zinc/37/11/17/259371117.db2.gz HIRCEHILEPVPGZ-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN CN(CCCCO)C[C@H]1CN(C)C(=O)O1 ZINC000497117171 529884957 /nfs/dbraw/zinc/88/49/57/529884957.db2.gz ZGDJRHNLNRIJMY-VIFPVBQESA-N 0 3 216.281 0.141 20 0 BCADHN CC(C)C[C@H](CN)NC(=O)C(=O)NCC1CC1 ZINC000418757400 192066783 /nfs/dbraw/zinc/06/67/83/192066783.db2.gz FRJFXDFZHIEOGW-SNVBAGLBSA-N 0 3 241.335 0.002 20 0 BCADHN CN(CCN(C)C1CC1)C[C@H]1CN(C)C(=O)O1 ZINC000495592734 529903098 /nfs/dbraw/zinc/90/30/98/529903098.db2.gz ITDOPWMJAIFUGD-NSHDSACASA-N 0 3 241.335 0.463 20 0 BCADHN CNC(=O)OC[C@@H]1CCCCN1CCOC ZINC000495643262 529892429 /nfs/dbraw/zinc/89/24/29/529892429.db2.gz YWIPOPMPZIXZST-JTQLQIEISA-N 0 3 230.308 0.843 20 0 BCADHN CNC(=O)OC[C@H]1CCCCN1CCCO ZINC000495640786 529892606 /nfs/dbraw/zinc/89/26/06/529892606.db2.gz NDVJCVMZYOVFCL-SNVBAGLBSA-N 0 3 230.308 0.579 20 0 BCADHN C[C@H](CNC1CC(C)C1)S(C)(=O)=O ZINC000388716749 346991472 /nfs/dbraw/zinc/99/14/72/346991472.db2.gz RBCLZTTTZCHKQL-QJAFJHJLSA-N 0 3 205.323 0.808 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](C)Cn1cccn1 ZINC000299499717 187353676 /nfs/dbraw/zinc/35/36/76/187353676.db2.gz LXEKDZBDSVNINB-NSHDSACASA-N 0 3 238.335 0.728 20 0 BCADHN C[C@@H](NCCCn1ccnn1)c1ncc[nH]1 ZINC000336727578 537830439 /nfs/dbraw/zinc/83/04/39/537830439.db2.gz CATROCGMJIDVFY-SECBINFHSA-N 0 3 220.280 0.742 20 0 BCADHN Cc1nccnc1CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000621722184 343868226 /nfs/dbraw/zinc/86/82/26/343868226.db2.gz NPPDOHDTUVBXLX-WDEREUQCSA-N 0 3 248.330 0.919 20 0 BCADHN CN(CCNC(=O)OC(C)(C)C)C1CC(O)C1 ZINC000495386966 529915571 /nfs/dbraw/zinc/91/55/71/529915571.db2.gz AVKAZCBVXQBUCY-UHFFFAOYSA-N 0 3 244.335 0.966 20 0 BCADHN CC(C)(F)CNC[C@H](O)CN1CCOCC1 ZINC000634723437 343888011 /nfs/dbraw/zinc/88/80/11/343888011.db2.gz QVICFLSVLQOWCD-JTQLQIEISA-N 0 3 234.315 0.017 20 0 BCADHN Cc1cnc(CCN2C[C@H](O)[C@@H](O)C2)c(C)c1 ZINC000401126264 347006182 /nfs/dbraw/zinc/00/61/82/347006182.db2.gz NSHNXVVSPGZTOI-STQMWFEESA-N 0 3 236.315 0.278 20 0 BCADHN CN(CC[C@@H]1CCCO1)C[C@H]1CNC(=O)O1 ZINC000495588146 529930960 /nfs/dbraw/zinc/93/09/60/529930960.db2.gz KWAOEEPJHLFJLF-VHSXEESVSA-N 0 3 228.292 0.596 20 0 BCADHN CC(C)O[C@@H]1CCN(CCc2cn(C)nn2)C1 ZINC000625504607 343898174 /nfs/dbraw/zinc/89/81/74/343898174.db2.gz DRKOLJSVOGAQOP-GFCCVEGCSA-N 0 3 238.335 0.857 20 0 BCADHN CN(C)C[C@]1(O)CCCN(C(=O)C2CC2)C1 ZINC000683912005 488243987 /nfs/dbraw/zinc/24/39/87/488243987.db2.gz QUTOWDORBFFJDO-GFCCVEGCSA-N 0 3 226.320 0.312 20 0 BCADHN CC[C@H](O)CNC(C)(C)C(=O)N(C)C ZINC000128724445 343910632 /nfs/dbraw/zinc/91/06/32/343910632.db2.gz AFVKEJGFXCSATN-QMMMGPOBSA-N 0 3 202.298 0.214 20 0 BCADHN CC[C@@H](O)CNC(C)(C)C(=O)N(C)C ZINC000128724652 343910657 /nfs/dbraw/zinc/91/06/57/343910657.db2.gz AFVKEJGFXCSATN-MRVPVSSYSA-N 0 3 202.298 0.214 20 0 BCADHN C[C@@H](O)CN(CCc1cn(C)nn1)C1CC1 ZINC000625519666 343916657 /nfs/dbraw/zinc/91/66/57/343916657.db2.gz XNXMGDDDQIPQPT-SECBINFHSA-N 0 3 224.308 0.203 20 0 BCADHN COc1cncc(CN[C@@H](CO)C2CCC2)n1 ZINC000625530707 343920094 /nfs/dbraw/zinc/92/00/94/343920094.db2.gz GCTQFLIZQGPDPZ-NSHDSACASA-N 0 3 237.303 0.736 20 0 BCADHN COC[C@H](N)Cc1cn(CCSC)nn1 ZINC000603216632 349895722 /nfs/dbraw/zinc/89/57/22/349895722.db2.gz VSHNMJVZSHDGTQ-MRVPVSSYSA-N 0 3 230.337 0.157 20 0 BCADHN COC(=O)C(C)(C)CNCc1cn[nH]c1 ZINC000380317931 343974685 /nfs/dbraw/zinc/97/46/85/343974685.db2.gz JLNIUYLLJMMQKS-UHFFFAOYSA-N 0 3 211.265 0.699 20 0 BCADHN O[C@H](CCNC[C@@H](O)C(F)(F)F)C(F)F ZINC000634726582 343951980 /nfs/dbraw/zinc/95/19/80/343951980.db2.gz WLTFYLYLXAGVDZ-RFZPGFLSSA-N 0 3 237.168 0.515 20 0 BCADHN CN(C)CCc1cn(CC2(O)CCCC2)nn1 ZINC000641216532 362279515 /nfs/dbraw/zinc/27/95/15/362279515.db2.gz BALRIIVDEUORQI-UHFFFAOYSA-N 0 3 238.335 0.687 20 0 BCADHN NCc1cnn(Cc2cn(CC(F)F)nn2)c1 ZINC000641232559 362283331 /nfs/dbraw/zinc/28/33/31/362283331.db2.gz GJPOGETUTAMBRQ-UHFFFAOYSA-N 0 3 242.233 0.247 20 0 BCADHN C[C@@H]1CC[C@@](CO)(N(C)CC(=O)NC2CC2)C1 ZINC000187958592 259371872 /nfs/dbraw/zinc/37/18/72/259371872.db2.gz YKHKIIXZAUPVMS-ZWNOBZJWSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1cc(NCCN2CCC2)nc(C)n1 ZINC000336740275 537837822 /nfs/dbraw/zinc/83/78/22/537837822.db2.gz UCYZTZUKEXWLDM-UHFFFAOYSA-N 0 3 206.293 0.633 20 0 BCADHN CCO[C@H]1C[C@H](NCC(N)=O)C12CCCC2 ZINC000082945552 362287135 /nfs/dbraw/zinc/28/71/35/362287135.db2.gz JQNMGWUAGHMHRH-UWVGGRQHSA-N 0 3 226.320 0.799 20 0 BCADHN CC[C@](C)(N)c1cn(C[C@@H](O)C(C)C)nn1 ZINC000395162641 362290393 /nfs/dbraw/zinc/29/03/93/362290393.db2.gz VAFHSHOUDHAAGA-KOLCDFICSA-N 0 3 226.324 0.879 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)[C@@H](C)CN1 ZINC000086468342 187285809 /nfs/dbraw/zinc/28/58/09/187285809.db2.gz DWKSGQNTFOXGBC-BDAKNGLRSA-N 0 3 235.287 0.197 20 0 BCADHN CC(C)NC(=O)NCCN(C)CC1(C)COC1 ZINC000625792573 344076087 /nfs/dbraw/zinc/07/60/87/344076087.db2.gz LGNZTYMWWGZVRI-UHFFFAOYSA-N 0 3 243.351 0.662 20 0 BCADHN O[C@H]1CN([C@H]2CCc3ccccc32)C[C@@H]1O ZINC000625713329 344051067 /nfs/dbraw/zinc/05/10/67/344051067.db2.gz ZCUIMJWBSCJYRL-AVGNSLFASA-N 0 3 219.284 0.711 20 0 BCADHN CC1(NC(=O)N[C@@H]2CCN(C3CC3)C2)COC1 ZINC000636790229 349900093 /nfs/dbraw/zinc/90/00/93/349900093.db2.gz MCTWDJQLQBDIFC-SECBINFHSA-N 0 3 239.319 0.311 20 0 BCADHN Cc1n[nH]cc1CN[C@@H]1CCC(=O)N(C)C1 ZINC000082756712 187283240 /nfs/dbraw/zinc/28/32/40/187283240.db2.gz QHLGOUOOEVYOBW-SNVBAGLBSA-N 0 3 222.292 0.429 20 0 BCADHN CC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000082928444 187283803 /nfs/dbraw/zinc/28/38/03/187283803.db2.gz JVRHFFSHBQGXFS-NWDGAFQWSA-N 0 3 204.273 0.960 20 0 BCADHN COC(=O)c1cnc(N(C)CCN(C)C)cn1 ZINC000234553001 344065963 /nfs/dbraw/zinc/06/59/63/344065963.db2.gz LTFCKLJSMOWICH-UHFFFAOYSA-N 0 3 238.291 0.261 20 0 BCADHN CC(C)N(C)C(=O)CN[C@H]1CCC[C@]1(C)CO ZINC000331360630 187358334 /nfs/dbraw/zinc/35/83/34/187358334.db2.gz YBEZTOLKUGIKIM-WCQYABFASA-N 0 3 242.363 0.994 20 0 BCADHN COC1CC(C(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000625801347 344079476 /nfs/dbraw/zinc/07/94/76/344079476.db2.gz DJCYJXOHLJCWNY-MOENNCHZSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000625814772 344082225 /nfs/dbraw/zinc/08/22/25/344082225.db2.gz UQTZFEVEYAXLSP-LBPRGKRZSA-N 0 3 248.326 0.981 20 0 BCADHN CN(C[C@@H]1CN(C)C(=O)O1)C[C@H]1CCCOC1 ZINC000495791251 529957214 /nfs/dbraw/zinc/95/72/14/529957214.db2.gz BUCFFPLJAJQFKI-GHMZBOCLSA-N 0 3 242.319 0.795 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)C(C)(C)N)C1 ZINC000625822158 344083089 /nfs/dbraw/zinc/08/30/89/344083089.db2.gz FYUXDFGLWMGEHK-OCAPTIKFSA-N 0 3 200.282 0.265 20 0 BCADHN CN(C[C@@H]1CN(C)C(=O)O1)[C@H](CO)C(C)(C)C ZINC000496432977 529957240 /nfs/dbraw/zinc/95/72/40/529957240.db2.gz BVDOHFZXWCAIAD-NXEZZACHSA-N 0 3 244.335 0.776 20 0 BCADHN CN(C[C@@H]1CN(C)C(=O)O1)C1(CO)CCC1 ZINC000495795248 529957290 /nfs/dbraw/zinc/95/72/90/529957290.db2.gz XSXLYGTVAIBMIU-VIFPVBQESA-N 0 3 228.292 0.284 20 0 BCADHN CCNC(=O)CN(C)[C@]1(CO)CC[C@H](C)C1 ZINC000187973068 259372679 /nfs/dbraw/zinc/37/26/79/259372679.db2.gz SACQSHNXTWFVEL-CMPLNLGQSA-N 0 3 228.336 0.605 20 0 BCADHN CC1(C)CCC[C@@](CO)(NCC(N)=O)C1 ZINC000625835064 344088925 /nfs/dbraw/zinc/08/89/25/344088925.db2.gz SLUBHKRYRVFWPD-LLVKDONJSA-N 0 3 214.309 0.393 20 0 BCADHN CN(C)S(=O)(=O)CCCN(C1CC1)C1CC1 ZINC000625838304 344090806 /nfs/dbraw/zinc/09/08/06/344090806.db2.gz YPSJBOHZZAXMEI-UHFFFAOYSA-N 0 3 246.376 0.895 20 0 BCADHN CC(C)[C@H](O)CN(C)[C@@H]1CCCCN(C)C1=O ZINC000634744044 344164574 /nfs/dbraw/zinc/16/45/74/344164574.db2.gz MAUGTRWNUIJJSW-VXGBXAGGSA-N 0 3 242.363 0.946 20 0 BCADHN CCn1nnc(C)c1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634744672 344166023 /nfs/dbraw/zinc/16/60/23/344166023.db2.gz GPJWFUVIOAYJLN-PHIMTYICSA-N 0 3 236.319 0.685 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000157179671 344172911 /nfs/dbraw/zinc/17/29/11/344172911.db2.gz UIZATJWCNSVLLB-GGVZMXCHSA-N 0 3 220.272 0.108 20 0 BCADHN COC[C@H](O)CN(C)C[C@H]1CCCCO1 ZINC000126285741 344175499 /nfs/dbraw/zinc/17/54/99/344175499.db2.gz OJHGJCOTRADESB-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H](C)Cn1ccnc1 ZINC000130372472 344133803 /nfs/dbraw/zinc/13/38/03/344133803.db2.gz LBVXRKSMTZVEIW-NXEZZACHSA-N 0 3 224.308 0.373 20 0 BCADHN CCN(CC)CC(=O)NCCOCC(F)F ZINC000188047289 259373490 /nfs/dbraw/zinc/37/34/90/259373490.db2.gz DURASUPAAAHQGQ-UHFFFAOYSA-N 0 3 238.278 0.726 20 0 BCADHN C[C@@H]1Oc2ccccc2[C@H]1NCCC(N)=O ZINC000566131220 344144481 /nfs/dbraw/zinc/14/44/81/344144481.db2.gz WLQCSOFCCQXBSP-UFBFGSQYSA-N 0 3 220.272 0.974 20 0 BCADHN COC(=O)c1cnc(N[C@@H](C)CN(C)C)cn1 ZINC000234562183 344145400 /nfs/dbraw/zinc/14/54/00/344145400.db2.gz IWAGFGYBKMCMPP-QMMMGPOBSA-N 0 3 238.291 0.625 20 0 BCADHN C/C=C/CNC(=O)NCCCN(C)CCOC ZINC000623709815 344149297 /nfs/dbraw/zinc/14/92/97/344149297.db2.gz JMQSUBDJDQHLCF-SNAWJCMRSA-N 0 3 243.351 0.830 20 0 BCADHN NCC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000082275046 344152894 /nfs/dbraw/zinc/15/28/94/344152894.db2.gz VDTOMGDTRXQNLG-QMMMGPOBSA-N 0 3 208.265 0.422 20 0 BCADHN CCN[C@H](C)C(=O)N1CCOCC(F)(F)C1 ZINC000634739128 344155617 /nfs/dbraw/zinc/15/56/17/344155617.db2.gz JUULCZGBRMHYHX-MRVPVSSYSA-N 0 3 236.262 0.479 20 0 BCADHN CS[C@@H](C)CNC(=O)COC1(C)CNC1 ZINC000165855185 344158419 /nfs/dbraw/zinc/15/84/19/344158419.db2.gz NXQSLUNQMIKEMA-QMMMGPOBSA-N 0 3 232.349 0.233 20 0 BCADHN O=C([C@H]1CCCCN1)N1CCOCC(F)(F)C1 ZINC000634739883 344162322 /nfs/dbraw/zinc/16/23/22/344162322.db2.gz IJXQHLFFHOXWPX-SECBINFHSA-N 0 3 248.273 0.623 20 0 BCADHN CCN(CC)CC(=O)N(C)C[C@@H]1COCCO1 ZINC000618230263 344208628 /nfs/dbraw/zinc/20/86/28/344208628.db2.gz SJGCDIJZZRIXLC-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN CC[C@@H](N)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000130042094 344209954 /nfs/dbraw/zinc/20/99/54/344209954.db2.gz HQKHSWXCWAGSBD-RKDXNWHRSA-N 0 3 216.325 0.637 20 0 BCADHN COC[C@H](C)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000129941687 344215470 /nfs/dbraw/zinc/21/54/70/344215470.db2.gz NJJBEMZRLFTYTO-UWVGGRQHSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H](CN(C)C)N[C@H]1CCCS(=O)(=O)C1 ZINC000130321218 344220145 /nfs/dbraw/zinc/22/01/45/344220145.db2.gz IKEAWFSOTHJYFP-ZJUUUORDSA-N 0 3 234.365 0.103 20 0 BCADHN CSCC[C@H](N)C(=O)NCC(F)F ZINC000130725886 344224413 /nfs/dbraw/zinc/22/44/13/344224413.db2.gz YPZLUPSFUDGATI-YFKPBYRVSA-N 0 3 212.265 0.448 20 0 BCADHN CCOC(=O)[C@H]1CCCN(C[C@H](C)O)C1 ZINC000131077784 344226958 /nfs/dbraw/zinc/22/69/58/344226958.db2.gz XQDKHMDIHFANTQ-UWVGGRQHSA-N 0 3 215.293 0.642 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C[C@@H]1COCCO1 ZINC000618232367 344228522 /nfs/dbraw/zinc/22/85/22/344228522.db2.gz CFITUSNEHDLSLA-LLVKDONJSA-N 0 3 244.335 0.200 20 0 BCADHN CCOC(=O)[C@@H]1CCCN(C[C@H](C)O)C1 ZINC000131096647 344229389 /nfs/dbraw/zinc/22/93/89/344229389.db2.gz XQDKHMDIHFANTQ-VHSXEESVSA-N 0 3 215.293 0.642 20 0 BCADHN C[C@H](CC[S@@](C)=O)NCc1cncn1C ZINC000131301723 344230059 /nfs/dbraw/zinc/23/00/59/344230059.db2.gz SNWSITNPDGSMOP-PSLIRLAXSA-N 0 3 229.349 0.667 20 0 BCADHN COC[C@@H](CN1CCC[C@H]1C(=O)N(C)C)OC ZINC000625866990 344238091 /nfs/dbraw/zinc/23/80/91/344238091.db2.gz QABYCSQIVMKOAX-MNOVXSKESA-N 0 3 244.335 0.200 20 0 BCADHN NC1(C(=O)N2CCO[C@@H](C(F)F)CC2)CC1 ZINC000634752475 344204304 /nfs/dbraw/zinc/20/43/04/344204304.db2.gz MPFWCZWYJHXUTR-SSDOTTSWSA-N 0 3 234.246 0.360 20 0 BCADHN NC1(C(=O)N2CCO[C@H](C(F)F)CC2)CC1 ZINC000634752476 344204444 /nfs/dbraw/zinc/20/44/44/344204444.db2.gz MPFWCZWYJHXUTR-ZETCQYMHSA-N 0 3 234.246 0.360 20 0 BCADHN COC[C@@H](O)CN1CCO[C@@H](C(F)F)CC1 ZINC000634752256 344204550 /nfs/dbraw/zinc/20/45/50/344204550.db2.gz IMWPEGAYFXIZHY-DTWKUNHWSA-N 0 3 239.262 0.350 20 0 BCADHN CC(C)(N)C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000634752675 344205041 /nfs/dbraw/zinc/20/50/41/344205041.db2.gz QKUCUHPQKNLNKG-ZETCQYMHSA-N 0 3 236.262 0.606 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)[C@H](O)Cc1ccccc1 ZINC000157886508 344206080 /nfs/dbraw/zinc/20/60/80/344206080.db2.gz MZDLMUIAHJHEFX-CKYFFXLPSA-N 0 3 236.315 0.442 20 0 BCADHN CCOC(=O)C1(CNCc2cn[nH]c2)CC1 ZINC000381239881 344245577 /nfs/dbraw/zinc/24/55/77/344245577.db2.gz ADFBFPZKHHQTFA-UHFFFAOYSA-N 0 3 223.276 0.843 20 0 BCADHN c1ncc(CN[C@H]2CCN(C3CC3)C2)cn1 ZINC000054768168 344251927 /nfs/dbraw/zinc/25/19/27/344251927.db2.gz VCSLWVYMXLLREA-NSHDSACASA-N 0 3 218.304 0.803 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@@H](O)C1 ZINC000127374319 344254425 /nfs/dbraw/zinc/25/44/25/344254425.db2.gz GYKOCRSPQHFZDA-SNVBAGLBSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@H]1C[C@H](NC(=O)N2CCOCC2)CCN1C ZINC000135395576 344254903 /nfs/dbraw/zinc/25/49/03/344254903.db2.gz HNRDIUSPFNAQFD-WDEREUQCSA-N 0 3 241.335 0.511 20 0 BCADHN O=C(N[C@@H]1CC[C@H]1O)C1CCN(C2CC2)CC1 ZINC000425039577 192069708 /nfs/dbraw/zinc/06/97/08/192069708.db2.gz BRMBRUXTCUSISG-VXGBXAGGSA-N 0 3 238.331 0.500 20 0 BCADHN C[C@@H](O)CN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000132354051 344297690 /nfs/dbraw/zinc/29/76/90/344297690.db2.gz MNAHAOVIPGVAON-OPRDCNLKSA-N 0 3 235.349 0.313 20 0 BCADHN CCCNC(=O)CN[C@@H](C)[C@H](C)OC ZINC000132173578 344281637 /nfs/dbraw/zinc/28/16/37/344281637.db2.gz VGDGQEGBSAMIHA-IUCAKERBSA-N 0 3 202.298 0.526 20 0 BCADHN CCOCCCCNc1nc(N)nc(N)n1 ZINC000220408589 344286114 /nfs/dbraw/zinc/28/61/14/344286114.db2.gz XTBQFUUXEMZBHD-UHFFFAOYSA-N 0 3 226.284 0.265 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774366 344292831 /nfs/dbraw/zinc/29/28/31/344292831.db2.gz OOGOITPARGEYGL-MMWGEVLESA-N 0 3 226.320 0.465 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774488 344293740 /nfs/dbraw/zinc/29/37/40/344293740.db2.gz TWFKYVBQNOQYII-AEJSXWLSSA-N 0 3 212.293 0.075 20 0 BCADHN CC[C@H](O)CNC1(C(N)=O)CCCCC1 ZINC000133098461 344312706 /nfs/dbraw/zinc/31/27/06/344312706.db2.gz QQJYYZSIRIBNGV-VIFPVBQESA-N 0 3 214.309 0.535 20 0 BCADHN O=C(CN1C[C@@H]2COC[C@@H]2C1)N1CCCC1 ZINC000634779915 344315344 /nfs/dbraw/zinc/31/53/44/344315344.db2.gz LCNLEQAVONLDGA-PHIMTYICSA-N 0 3 224.304 0.187 20 0 BCADHN C[C@H](CN1C[C@@H]2COC[C@@H]2C1)CS(C)(=O)=O ZINC000634781985 344323946 /nfs/dbraw/zinc/32/39/46/344323946.db2.gz WTJWEWPZYFEOGN-MXWKQRLJSA-N 0 3 247.360 0.245 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C)n(C)n1 ZINC000034902957 344326689 /nfs/dbraw/zinc/32/66/89/344326689.db2.gz MSNUJLSOXXUCMF-UHFFFAOYSA-N 0 3 210.281 0.020 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1C[C@@H]2COC[C@@H]2C1 ZINC000634782863 344326722 /nfs/dbraw/zinc/32/67/22/344326722.db2.gz DTLRAQZXEFDABF-LPEHRKFASA-N 0 3 224.304 0.232 20 0 BCADHN CN(C[C@H]1CN(C)C(=O)O1)C[C@@H]1CCCOC1 ZINC000495791253 529972533 /nfs/dbraw/zinc/97/25/33/529972533.db2.gz BUCFFPLJAJQFKI-QWRGUYRKSA-N 0 3 242.319 0.795 20 0 BCADHN C[C@@H]1CN(C(=O)CC2CCN(C)CC2)CCO1 ZINC000145906585 344358215 /nfs/dbraw/zinc/35/82/15/344358215.db2.gz RIEVBXFVMYOKQM-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN COCCN1CCC[C@H](N2CCCC2=O)C1 ZINC000600706774 344360456 /nfs/dbraw/zinc/36/04/56/344360456.db2.gz VBRYOUWHKVOYAW-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN COC(=O)CCCCN1CCNC[C@](C)(F)C1 ZINC000600711928 344361586 /nfs/dbraw/zinc/36/15/86/344361586.db2.gz UINPKBBEZUNRQQ-LBPRGKRZSA-N 0 3 246.326 0.963 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634776373 344299535 /nfs/dbraw/zinc/29/95/35/344299535.db2.gz TYEZSVQGVMGLTP-UTUOFQBUSA-N 0 3 238.331 0.433 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H](C)C(=O)N(C)C ZINC000132395766 344299994 /nfs/dbraw/zinc/29/99/94/344299994.db2.gz JJKBSFDNCGGDIG-XHNCKOQMSA-N 0 3 202.298 0.476 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634777341 344303090 /nfs/dbraw/zinc/30/30/90/344303090.db2.gz HWKLBINACCVKSI-PHIMTYICSA-N 0 3 226.320 0.433 20 0 BCADHN CC[C@@H]1C[C@H](C(=O)NCCN(C)C)CCO1 ZINC000162146300 133518657 /nfs/dbraw/zinc/51/86/57/133518657.db2.gz LWGJCNIBZLAKIU-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CN(CCc1ccc(F)cc1)C(=O)CN ZINC000041224827 344429200 /nfs/dbraw/zinc/42/92/00/344429200.db2.gz IDHYDSNSENXTQY-UHFFFAOYSA-N 0 3 210.252 0.785 20 0 BCADHN C[C@H]1CN(CC(=O)N2CCNC2=O)C[C@H]1C ZINC000072869599 344378955 /nfs/dbraw/zinc/37/89/55/344378955.db2.gz PCGZQDSVHMOZTG-DTORHVGOSA-N 0 3 225.292 0.126 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000380458946 344382005 /nfs/dbraw/zinc/38/20/05/344382005.db2.gz PNBJAMKTACFYGJ-MXWKQRLJSA-N 0 3 241.331 0.888 20 0 BCADHN COc1c(C)ncnc1N1CCN[C@@H](C)C1 ZINC000634807739 344391544 /nfs/dbraw/zinc/39/15/44/344391544.db2.gz ZAERBLLGDWWXAZ-QMMMGPOBSA-N 0 3 222.292 0.592 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCCCN1C)N(C)C ZINC000600947408 344400922 /nfs/dbraw/zinc/40/09/22/344400922.db2.gz SVACIBAQXWMPHK-GHMZBOCLSA-N 0 3 227.352 0.537 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCC(=O)OC ZINC000040859741 344408583 /nfs/dbraw/zinc/40/85/83/344408583.db2.gz HUTZLKUZZFFGCG-JTQLQIEISA-N 0 3 216.281 0.183 20 0 BCADHN CC[C@@H]1CCCC[C@H]1Nc1nc(N)nc(N)n1 ZINC000623853410 344409929 /nfs/dbraw/zinc/40/99/29/344409929.db2.gz XTQCXFMKMWSVDY-HTQZYQBOSA-N 0 3 236.323 0.499 20 0 BCADHN C/C=C\CNC(=O)NC[C@H]1CCCN1C ZINC000623716845 344409943 /nfs/dbraw/zinc/40/99/43/344409943.db2.gz ZZMIVAFMLPIOJJ-UMBAGQNISA-N 0 3 211.309 0.956 20 0 BCADHN C[C@@H](Cn1cccn1)NC(=O)C(C)(C)N ZINC000040921036 344410875 /nfs/dbraw/zinc/41/08/75/344410875.db2.gz UMTBKCRCCQLLJO-QMMMGPOBSA-N 0 3 210.281 0.125 20 0 BCADHN COC[C@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000041679502 344439854 /nfs/dbraw/zinc/43/98/54/344439854.db2.gz ICPWNPBRXWTAAE-RKDXNWHRSA-N 0 3 216.325 0.759 20 0 BCADHN COC[C@H](C)CNC(=O)[C@@H](N)CCSC ZINC000041679440 344439863 /nfs/dbraw/zinc/43/98/63/344439863.db2.gz CTNJFBAPGOVWHC-BDAKNGLRSA-N 0 3 234.365 0.466 20 0 BCADHN C[C@@H]1C[C@@H]1CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000408289545 344451511 /nfs/dbraw/zinc/45/15/11/344451511.db2.gz HIIPWTWNGCOGNZ-KYXWUPHJSA-N 0 3 212.293 0.217 20 0 BCADHN C[C@H](N)C(=O)N(C)C[C@H]1CCCCO1 ZINC000042466058 344455949 /nfs/dbraw/zinc/45/59/49/344455949.db2.gz OFIWTVFLTRWQNT-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN CN(CCOCCO)C[C@H]1CCCCO1 ZINC000042465217 344456024 /nfs/dbraw/zinc/45/60/24/344456024.db2.gz CPBWMHLPVYCOQS-LLVKDONJSA-N 0 3 217.309 0.496 20 0 BCADHN CCC[C@H](N)C(=O)NCCn1cccn1 ZINC000042542445 344458842 /nfs/dbraw/zinc/45/88/42/344458842.db2.gz XVOZCXKDEUBIOG-VIFPVBQESA-N 0 3 210.281 0.127 20 0 BCADHN CC[C@@H](O)CN1CCCN(C(C)=O)CC1 ZINC000042681153 344462016 /nfs/dbraw/zinc/46/20/16/344462016.db2.gz NDTWAZIXHJAIIA-LLVKDONJSA-N 0 3 214.309 0.312 20 0 BCADHN CN(Cc1cscn1)C(=O)C(C)(C)N ZINC000042868635 344469474 /nfs/dbraw/zinc/46/94/74/344469474.db2.gz SJRFLZYWDKIYQX-UHFFFAOYSA-N 0 3 213.306 0.839 20 0 BCADHN Cc1c[nH]c(CN2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000628291866 347052578 /nfs/dbraw/zinc/05/25/78/347052578.db2.gz YDELSNOARHYGCG-GHMZBOCLSA-N 0 3 220.320 0.854 20 0 BCADHN CCNC(=O)CN(C)C1CCOCC1 ZINC000531104397 344480064 /nfs/dbraw/zinc/48/00/64/344480064.db2.gz DFOWPEDYZFGIIL-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN CCN1CCC(N(C)C(=O)CC(=O)NC)CC1 ZINC000408312239 344485627 /nfs/dbraw/zinc/48/56/27/344485627.db2.gz AEBWCVDZVYXOKK-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CCCCOCCN[C@@H](CO)[C@@H]1CCCO1 ZINC000310009664 344495960 /nfs/dbraw/zinc/49/59/60/344495960.db2.gz ICZRVVSGSRFSSY-RYUDHWBXSA-N 0 3 231.336 0.933 20 0 BCADHN CCC[C@](C)(N)C(=O)NCC(=O)NC(C)C ZINC000037481411 344508862 /nfs/dbraw/zinc/50/88/62/344508862.db2.gz DXKWYZAKKSHKDR-NSHDSACASA-N 0 3 229.324 0.145 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCN(CC)CC1 ZINC000037481279 344508996 /nfs/dbraw/zinc/50/89/96/344508996.db2.gz ZBXJMQJWFIXYKR-LBPRGKRZSA-N 0 3 227.352 0.668 20 0 BCADHN c1n[nH]cc1CN[C@H]1CCN(CC2CC2)C1 ZINC000381501407 344513320 /nfs/dbraw/zinc/51/33/20/344513320.db2.gz OYPHMFVMGQJIOY-LBPRGKRZSA-N 0 3 220.320 0.984 20 0 BCADHN Cc1ncc(CN[C@@H]2CCCN(C)C2)cn1 ZINC000381590508 344524325 /nfs/dbraw/zinc/52/43/25/344524325.db2.gz GKQHCNJFQTXKEZ-GFCCVEGCSA-N 0 3 220.320 0.969 20 0 BCADHN COCCCN(C)CCNC(=O)N(C)C ZINC000152377930 344532866 /nfs/dbraw/zinc/53/28/66/344532866.db2.gz QUMCYXZEYKPEBK-UHFFFAOYSA-N 0 3 217.313 0.226 20 0 BCADHN CC(C)N1CCN(CC[C@H](C)O)CC1 ZINC000044132881 344535920 /nfs/dbraw/zinc/53/59/20/344535920.db2.gz ORHNUQFDSNEVFX-NSHDSACASA-N 0 3 200.326 0.783 20 0 BCADHN C[C@@H]1CC[C@H](Nc2nc(N)nc(N)n2)C[C@H]1C ZINC000624100785 344537800 /nfs/dbraw/zinc/53/78/00/344537800.db2.gz GWRLGQTYVZTCTM-PRJMDXOYSA-N 0 3 236.323 0.355 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCCCOC ZINC000044659835 344545602 /nfs/dbraw/zinc/54/56/02/344545602.db2.gz FSFIKAOWOYUHPT-NXEZZACHSA-N 0 3 216.325 0.903 20 0 BCADHN CC(C)(C)NC(=O)CNC(=O)CNCC1CC1 ZINC000037612211 344552852 /nfs/dbraw/zinc/55/28/52/344552852.db2.gz MLRWZPKGASXLKL-UHFFFAOYSA-N 0 3 241.335 0.017 20 0 BCADHN CCO[C@@H](C)C(=O)NCCN(C)CCCOC ZINC000152420001 344554921 /nfs/dbraw/zinc/55/49/21/344554921.db2.gz KHSFRVNUYDOYQK-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN COCCCN(C)CCNC(=O)CCSC ZINC000152428508 344559766 /nfs/dbraw/zinc/55/97/66/344559766.db2.gz YYDQBNBMUIVKHE-UHFFFAOYSA-N 0 3 248.392 0.824 20 0 BCADHN C[C@]1(O)CCCN(CC(=O)N2CCCC2)CC1 ZINC000230377329 344560280 /nfs/dbraw/zinc/56/02/80/344560280.db2.gz DXOOHHGSNIYUTD-ZDUSSCGKSA-N 0 3 240.347 0.846 20 0 BCADHN CCN(CC)CC(=O)NCC1(CO)CCC1 ZINC000182301479 259376319 /nfs/dbraw/zinc/37/63/19/259376319.db2.gz VLXYLQFYYBPVTL-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN C[C@@H](O)[C@H](C)NCc1ccc(C(N)=O)cc1 ZINC000336778431 537850944 /nfs/dbraw/zinc/85/09/44/537850944.db2.gz LIOXONMVKGIHLY-DTWKUNHWSA-N 0 3 222.288 0.644 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC(CO)CC1 ZINC000046090691 344577204 /nfs/dbraw/zinc/57/72/04/344577204.db2.gz LGPRJOFMUHHKJX-SECBINFHSA-N 0 3 214.309 0.167 20 0 BCADHN OCCN1CCS[C@H]2COCC[C@H]21 ZINC000135520981 344584710 /nfs/dbraw/zinc/58/47/10/344584710.db2.gz DJRJIVZULHRCIN-BDAKNGLRSA-N 0 3 203.307 0.185 20 0 BCADHN C[C@@H](NCc1ccc(C(N)=O)cc1)[C@H](C)O ZINC000336778430 537850555 /nfs/dbraw/zinc/85/05/55/537850555.db2.gz LIOXONMVKGIHLY-BDAKNGLRSA-N 0 3 222.288 0.644 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]CCCn2cncn2)n1 ZINC000381736117 344586291 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/nfs/dbraw/zinc/72/98/54/345729854.db2.gz ZOMYDQFMYBXDIQ-NSHDSACASA-N 0 3 219.288 0.929 20 0 BCADHN CN[C@H](C)C(=O)NCC[C@H](O)C(C)C ZINC000577076144 365805892 /nfs/dbraw/zinc/80/58/92/365805892.db2.gz CUEICJJAWUSTOO-BDAKNGLRSA-N 0 3 202.298 0.118 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)c1cccs1 ZINC000673523403 488293294 /nfs/dbraw/zinc/29/32/94/488293294.db2.gz WSYOAQVUODUMNO-QMMMGPOBSA-N 0 3 228.317 0.400 20 0 BCADHN CC[C@@H](O)CN1CCC([C@H](O)C(=O)OC)CC1 ZINC000135370465 345767656 /nfs/dbraw/zinc/76/76/56/345767656.db2.gz NNJRUAWJWANPEM-MNOVXSKESA-N 0 3 245.319 0.003 20 0 BCADHN CC(C(=O)N1CCC2(CCC2)C1)S(C)(=O)=O ZINC000158893756 345769893 /nfs/dbraw/zinc/76/98/93/345769893.db2.gz HIYFYNLODROBPD-SECBINFHSA-N 0 3 245.344 0.822 20 0 BCADHN CC(=O)N1CCCN(C[C@](C)(O)C(C)C)CC1 ZINC000160096460 345796584 /nfs/dbraw/zinc/79/65/84/345796584.db2.gz NLVHSXNDPZMPGO-ZDUSSCGKSA-N 0 3 242.363 0.948 20 0 BCADHN CN[C@H](C)C(=O)NCC[C@@H](O)C(C)C ZINC000577076147 365806153 /nfs/dbraw/zinc/80/61/53/365806153.db2.gz CUEICJJAWUSTOO-RKDXNWHRSA-N 0 3 202.298 0.118 20 0 BCADHN CNC(=O)C[C@H](C)NCc1ccc(=O)[nH]c1 ZINC000631151641 345856354 /nfs/dbraw/zinc/85/63/54/345856354.db2.gz CEKPRUSDZBTIRO-QMMMGPOBSA-N 0 3 223.276 0.401 20 0 BCADHN CCCCN(CCCO)[C@H](C)C(=O)NC(N)=O ZINC000182152166 347088339 /nfs/dbraw/zinc/08/83/39/347088339.db2.gz CKQGWRFAQRLKTR-SECBINFHSA-N 0 3 245.323 0.054 20 0 BCADHN C[C@H](CC(N)=O)NC(=O)CN(C)CC(C)(C)C ZINC000635604726 345888837 /nfs/dbraw/zinc/88/88/37/345888837.db2.gz WMUZGBUGDYPGAT-SECBINFHSA-N 0 3 243.351 0.344 20 0 BCADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1C[C@@H](O)C1 ZINC000635603627 345888952 /nfs/dbraw/zinc/88/89/52/345888952.db2.gz QXQSBSGSYHYBIC-NNYUYHANSA-N 0 3 240.347 0.556 20 0 BCADHN Cc1nc[nH]c1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000635607258 345890876 /nfs/dbraw/zinc/89/08/76/345890876.db2.gz MPUHCKFIKGJPAF-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN CC(=O)NCCNC(=O)c1ccc2c(c1)CNC2 ZINC000131020019 187360217 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345956281 /nfs/dbraw/zinc/95/62/81/345956281.db2.gz DIMQQWNTGPYJEV-UXCLJVHYSA-N 0 3 238.331 0.499 20 0 BCADHN C[C@H]1CCC[C@H](C)C1NC(=O)C(=O)NCCN ZINC000418979105 192093363 /nfs/dbraw/zinc/09/33/63/192093363.db2.gz XARFERGLRHEWPE-IUCAKERBSA-N 0 3 241.335 0.002 20 0 BCADHN COCCCN1CCN(C(C)=O)CC1(C)C ZINC000182188337 347088946 /nfs/dbraw/zinc/08/89/46/347088946.db2.gz MBWIBBIDSQDPJN-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@H](C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)N(C)C ZINC000635665104 345967440 /nfs/dbraw/zinc/96/74/40/345967440.db2.gz UZLRFSMLJGRFLJ-GMTAPVOTSA-N 0 3 239.363 0.678 20 0 BCADHN CC[C@@H]1CN(C(=O)COC(F)F)C[C@H](C)N1 ZINC000620897966 345975744 /nfs/dbraw/zinc/97/57/44/345975744.db2.gz IOUXXAXLEGDZJW-JGVFFNPUSA-N 0 3 236.262 0.825 20 0 BCADHN CN(CC(=O)NC[C@@H](O)C1CC1)CC(C)(C)C ZINC000635681188 345975847 /nfs/dbraw/zinc/97/58/47/345975847.db2.gz KRUKOFHTMKGRHB-LLVKDONJSA-N 0 3 242.363 0.851 20 0 BCADHN CN[C@@H](C)C(=O)NCC[C@@H](O)C(C)C ZINC000577076145 365806646 /nfs/dbraw/zinc/80/66/46/365806646.db2.gz CUEICJJAWUSTOO-DTWKUNHWSA-N 0 3 202.298 0.118 20 0 BCADHN C[C@H](NC(=O)[C@H](N)C1CCC1)c1nccn1C ZINC000662935710 537935270 /nfs/dbraw/zinc/93/52/70/537935270.db2.gz YAQSGQVGRHQWNK-WCBMZHEXSA-N 0 3 236.319 0.725 20 0 BCADHN C[C@H](NC(=O)[C@H]1CCCCN1)c1nccn1C ZINC000662935781 537935386 /nfs/dbraw/zinc/93/53/86/537935386.db2.gz ZQFKHAWVVTZUKS-VHSXEESVSA-N 0 3 236.319 0.739 20 0 BCADHN C[C@H](C(=O)N[C@H]1CCc2nc[nH]c2C1)N(C)C ZINC000635715482 346027090 /nfs/dbraw/zinc/02/70/90/346027090.db2.gz JUPXHHOYHKTWEH-BDAKNGLRSA-N 0 3 236.319 0.333 20 0 BCADHN C[C@H](C(=O)N[C@H]1CCc2[nH]cnc2C1)N(C)C ZINC000635715482 346027091 /nfs/dbraw/zinc/02/70/91/346027091.db2.gz JUPXHHOYHKTWEH-BDAKNGLRSA-N 0 3 236.319 0.333 20 0 BCADHN [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095159614 346029126 /nfs/dbraw/zinc/02/91/26/346029126.db2.gz YKUPCFDLCMMFRU-DTWKUNHWSA-N 0 3 244.258 0.152 20 0 BCADHN [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095159614 346029128 /nfs/dbraw/zinc/02/91/28/346029128.db2.gz YKUPCFDLCMMFRU-DTWKUNHWSA-N 0 3 244.258 0.152 20 0 BCADHN CC[C@@H]1CN(C)CCCN1C(=O)c1cn[nH]c1 ZINC000300545308 346029291 /nfs/dbraw/zinc/02/92/91/346029291.db2.gz KLECPBLIWINUAS-LLVKDONJSA-N 0 3 236.319 0.966 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC(CCO)CC1 ZINC000400993781 346029384 /nfs/dbraw/zinc/02/93/84/346029384.db2.gz BBQFMEBBFUZBNW-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000381485403 346034541 /nfs/dbraw/zinc/03/45/41/346034541.db2.gz VAMFZTFLICKOCH-OWCSCZDJSA-N 0 3 232.349 0.141 20 0 BCADHN CC(=O)C[C@@H](C)NC(=O)C[C@H]1CCN(C)C1 ZINC000635727626 346038475 /nfs/dbraw/zinc/03/84/75/346038475.db2.gz ZILPBDXBFAUPAF-MWLCHTKSSA-N 0 3 226.320 0.812 20 0 BCADHN CC(=O)C[C@H](C)NC(=O)C[C@@H]1CCN(C)C1 ZINC000635727627 346038703 /nfs/dbraw/zinc/03/87/03/346038703.db2.gz ZILPBDXBFAUPAF-ONGXEEELSA-N 0 3 226.320 0.812 20 0 BCADHN CCN1CCN(C(=O)[C@@H](C)N(C)C)C[C@@H]1C ZINC000635732309 346042727 /nfs/dbraw/zinc/04/27/27/346042727.db2.gz FJDYDJHWHXKYOC-WDEREUQCSA-N 0 3 227.352 0.489 20 0 BCADHN CCN1CCN(C(=O)[C@@H](C)N(C)C)C[C@H]1C ZINC000635732306 346042752 /nfs/dbraw/zinc/04/27/52/346042752.db2.gz FJDYDJHWHXKYOC-GHMZBOCLSA-N 0 3 227.352 0.489 20 0 BCADHN CN1CCC[C@@H](NC(=O)CCn2ccnc2)C1 ZINC000586754189 346060777 /nfs/dbraw/zinc/06/07/77/346060777.db2.gz YMYUIESIOULUHE-LLVKDONJSA-N 0 3 236.319 0.484 20 0 BCADHN CCN1C[C@H](C)N(C(=O)[C@@H](C)N(C)C)C[C@@H]1C ZINC000635749217 346047774 /nfs/dbraw/zinc/04/77/74/346047774.db2.gz DYPXJRJTGKGGEX-SDDRHHMPSA-N 0 3 241.379 0.878 20 0 BCADHN CCN1C[C@@H](C)N(C(=O)[C@@H](C)N(C)C)C[C@@H]1C ZINC000635749216 346047902 /nfs/dbraw/zinc/04/79/02/346047902.db2.gz DYPXJRJTGKGGEX-QJPTWQEYSA-N 0 3 241.379 0.878 20 0 BCADHN CC(C)N(C)CC(=O)NC(C)(C)CO ZINC000332499908 187365336 /nfs/dbraw/zinc/36/53/36/187365336.db2.gz IGDOHAUXBYHDNF-UHFFFAOYSA-N 0 3 202.298 0.214 20 0 BCADHN Cc1nc[nH]c1C(=O)N(C)CCN(C)C1CC1 ZINC000635812854 346074478 /nfs/dbraw/zinc/07/44/78/346074478.db2.gz RCQFFGMEVFAFCW-UHFFFAOYSA-N 0 3 236.319 0.884 20 0 BCADHN C[C@H](C(=O)NC1(c2nnc[n-]2)CCC1)[NH+](C)C ZINC000635840842 346083723 /nfs/dbraw/zinc/08/37/23/346083723.db2.gz IGCLYOQSYXEEKM-MRVPVSSYSA-N 0 3 237.307 0.250 20 0 BCADHN C[C@H](C(=O)NC1(c2nc[nH]n2)CCC1)N(C)C ZINC000635840842 346083724 /nfs/dbraw/zinc/08/37/24/346083724.db2.gz IGCLYOQSYXEEKM-MRVPVSSYSA-N 0 3 237.307 0.250 20 0 BCADHN CN1CC[C@@H]2CCN(C(=O)[C@H]3C[C@@H](O)C3)[C@H]2C1 ZINC000635779831 346063417 /nfs/dbraw/zinc/06/34/17/346063417.db2.gz NRDGBCULQVXSJU-WYUUTHIRSA-N 0 3 238.331 0.310 20 0 BCADHN CC(=O)N(C)CC(=O)NC1(CN(C)C)CCC1 ZINC000332046819 187365566 /nfs/dbraw/zinc/36/55/66/187365566.db2.gz KUQHYVYTYPWHOY-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CCN1CCN(C(=O)[C@@H](C)N(C)C)[C@@H](C)C1 ZINC000635918072 346109106 /nfs/dbraw/zinc/10/91/06/346109106.db2.gz GVYTUKGGGSAXQJ-WDEREUQCSA-N 0 3 227.352 0.489 20 0 BCADHN CC(C)=C(C)CC(=O)N[C@@H](CO)CN(C)C ZINC000635929861 346111560 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IPGMOTKTBLOQEZ-SNVBAGLBSA-N 0 3 214.309 0.167 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCC(C)(O)CC1 ZINC000167045650 346185760 /nfs/dbraw/zinc/18/57/60/346185760.db2.gz KCQQQOMDGHIWTQ-SNVBAGLBSA-N 0 3 245.319 0.147 20 0 BCADHN Cc1ncc(CNCCCn2ccnn2)o1 ZINC000628237305 346193441 /nfs/dbraw/zinc/19/34/41/346193441.db2.gz ITGBEESDIBHWEA-UHFFFAOYSA-N 0 3 221.264 0.754 20 0 BCADHN Cc1nc(C)c(CNC[C@]2(O)CCO[C@H]2C)o1 ZINC000628254677 346237012 /nfs/dbraw/zinc/23/70/12/346237012.db2.gz LAZXOKYRXYVBTH-JOYOIKCWSA-N 0 3 240.303 0.921 20 0 BCADHN Cc1ncc(CNC[C@]2(O)CCO[C@H]2C)o1 ZINC000628254593 346238701 /nfs/dbraw/zinc/23/87/01/346238701.db2.gz IERSAXNXBTYWFG-GZMMTYOYSA-N 0 3 226.276 0.613 20 0 BCADHN CCCNS(=O)(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000632369708 346239349 /nfs/dbraw/zinc/23/93/49/346239349.db2.gz QZBLIFDYCMWLGM-VHSXEESVSA-N 0 3 249.380 0.255 20 0 BCADHN C=Cn1cc(CNCCn2cccn2)cn1 ZINC000194351142 187316732 /nfs/dbraw/zinc/31/67/32/187316732.db2.gz NKJHJHJPGHAKDC-UHFFFAOYSA-N 0 3 217.276 0.970 20 0 BCADHN CCN1CCC(NC(=O)c2cccc(N)n2)CC1 ZINC000272274859 346244219 /nfs/dbraw/zinc/24/42/19/346244219.db2.gz CCRUHPSXBUVWQI-UHFFFAOYSA-N 0 3 248.330 0.878 20 0 BCADHN Nc1cnccc1CN[C@@H](CO)CC1CC1 ZINC000641744771 362667374 /nfs/dbraw/zinc/66/73/74/362667374.db2.gz YMKTUFHPZLGTIQ-LLVKDONJSA-N 0 3 221.304 0.914 20 0 BCADHN C[C@@H](O)C(C)(C)NCc1ccncc1N ZINC000641741280 362668843 /nfs/dbraw/zinc/66/88/43/362668843.db2.gz AXVNQKQFKHKFFU-MRVPVSSYSA-N 0 3 209.293 0.913 20 0 BCADHN Cc1cccc(C(=O)NC[C@H]2CNCCO2)c1 ZINC000036285356 179018154 /nfs/dbraw/zinc/01/81/54/179018154.db2.gz OXZZNMUEGVHIEY-GFCCVEGCSA-N 0 3 234.299 0.713 20 0 BCADHN CN1CCC(NC(=O)NCC2(CO)CC2)CC1 ZINC000673873793 488310475 /nfs/dbraw/zinc/31/04/75/488310475.db2.gz DUPTZZRYJRQQEL-UHFFFAOYSA-N 0 3 241.335 0.152 20 0 BCADHN Nc1cnccc1CNC[C@@H]1CC[C@@H](O)C1 ZINC000641750044 362671433 /nfs/dbraw/zinc/67/14/33/362671433.db2.gz LZTMDOHAKLIXJY-MWLCHTKSSA-N 0 3 221.304 0.914 20 0 BCADHN C[C@@H](CCNCc1ccncc1N)[S@](C)=O ZINC000603427563 349949974 /nfs/dbraw/zinc/94/99/74/349949974.db2.gz OAHCPDDPIXFUHU-FVMDXXJSSA-N 0 3 241.360 0.911 20 0 BCADHN CSC[C@H](CCO)NCc1ccncc1N ZINC000603425070 349948966 /nfs/dbraw/zinc/94/89/66/349948966.db2.gz VYFJKJLKUFQTJJ-JTQLQIEISA-N 0 3 241.360 0.867 20 0 BCADHN COC(=O)C(C)(C)CNCc1ccncc1N ZINC000603425663 349949281 /nfs/dbraw/zinc/94/92/81/349949281.db2.gz FPOXTRLOCCBUOW-UHFFFAOYSA-N 0 3 237.303 0.953 20 0 BCADHN CC[C@H](O)CNCc1cc2c(cn1)OCCO2 ZINC000641756956 362682159 /nfs/dbraw/zinc/68/21/59/362682159.db2.gz RIERPPLEAMIIJT-JTQLQIEISA-N 0 3 238.287 0.713 20 0 BCADHN CC[C@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H](C)CN ZINC000419098206 192099968 /nfs/dbraw/zinc/09/99/68/192099968.db2.gz QVJXZLSKQIVPQI-LPEHRKFASA-N 0 3 241.335 0.145 20 0 BCADHN CC1(C)CN(Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC000279973073 346288797 /nfs/dbraw/zinc/28/87/97/346288797.db2.gz YZVKPZIBOMJMRA-LBPRGKRZSA-N 0 3 248.326 0.988 20 0 BCADHN C/C=C\C[C@H](CO)NCc1cnnn1CC ZINC000641747530 362673892 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BCADHN COCCN1CCC[C@H]1CNC(=O)C1CC1 ZINC000069531227 362715460 /nfs/dbraw/zinc/71/54/60/362715460.db2.gz SWWVVADOZSZWCY-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN COCC[C@H](CO)NC[C@@](C)(O)C(F)(F)F ZINC000381594449 346399289 /nfs/dbraw/zinc/39/92/89/346399289.db2.gz FBRSGXYHQOTQNG-HTQZYQBOSA-N 0 3 245.241 0.287 20 0 BCADHN CCN(C(=O)c1c[nH]cn1)[C@@H]1CCN(CC)C1 ZINC000617929901 346401119 /nfs/dbraw/zinc/40/11/19/346401119.db2.gz SMXXFTALPGLLTB-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN COC[C@H](O)CNC(C)(C)c1cnn(C)c1 ZINC000309972009 323122639 /nfs/dbraw/zinc/12/26/39/323122639.db2.gz PYJNGAWEVAQYGZ-SNVBAGLBSA-N 0 3 227.308 0.252 20 0 BCADHN CC(C)OC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000636322897 346392569 /nfs/dbraw/zinc/39/25/69/346392569.db2.gz CAICSJPPEKNYIO-NSHDSACASA-N 0 3 240.347 0.964 20 0 BCADHN CCn1ccc(C(=O)NC[C@H]2CCN(C)C2)n1 ZINC000574918020 346411093 /nfs/dbraw/zinc/41/10/93/346411093.db2.gz BIGGZACHVLOQSA-SNVBAGLBSA-N 0 3 236.319 0.585 20 0 BCADHN C[C@@H](O)CN(CCN(C)C)Cc1ccccn1 ZINC000574925290 346415351 /nfs/dbraw/zinc/41/53/51/346415351.db2.gz WPIJFNOGNMEVEG-GFCCVEGCSA-N 0 3 237.347 0.826 20 0 BCADHN CC(=O)NCCN(C)CCc1ccncc1 ZINC000575014710 346418064 /nfs/dbraw/zinc/41/80/64/346418064.db2.gz XYNXMXAQOGQCJG-UHFFFAOYSA-N 0 3 221.304 0.692 20 0 BCADHN Cc1ncncc1[C@H](C)NC[C@]1(O)CCOC1 ZINC000563419190 323123770 /nfs/dbraw/zinc/12/37/70/323123770.db2.gz UHTQBILUBGPNEB-JOYOIKCWSA-N 0 3 237.303 0.587 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cccc(N)n2)[C@H]1C ZINC000575047130 346425318 /nfs/dbraw/zinc/42/53/18/346425318.db2.gz FUMJRCXGHGYMTP-BDAKNGLRSA-N 0 3 234.303 0.486 20 0 BCADHN Cc1cccc(CN2C[C@@H](O)[C@H](O)C2)c1C ZINC000278404569 179085030 /nfs/dbraw/zinc/08/50/30/179085030.db2.gz OXKSXRNRMPQSGK-CHWSQXEVSA-N 0 3 221.300 0.841 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)c1ccn(C)n1 ZINC000335373507 535046545 /nfs/dbraw/zinc/04/65/45/535046545.db2.gz BZWWBXPJSYKZNZ-VIFPVBQESA-N 0 3 210.281 0.366 20 0 BCADHN CN1CCC[C@H]1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000332792787 346442218 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/nfs/dbraw/zinc/46/25/80/346462580.db2.gz DFQQWZRMHATRNK-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN C[S@@](=O)C1(CNC[C@H](O)C(F)(F)F)CC1 ZINC000380210538 347094780 /nfs/dbraw/zinc/09/47/80/347094780.db2.gz NWDAKGFASBFQKS-WDDATRMLSA-N 0 3 245.266 0.410 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H]1CCCOC1 ZINC000580071265 346507768 /nfs/dbraw/zinc/50/77/68/346507768.db2.gz QMRFIBMSCBLZJW-IVZWLZJFSA-N 0 3 201.266 0.169 20 0 BCADHN CC[C@@H](N)C(=O)NC(CC)(CC)CC(=O)OC ZINC000580076500 346514507 /nfs/dbraw/zinc/51/45/07/346514507.db2.gz TVEMHSSDOQXWPT-SECBINFHSA-N 0 3 244.335 0.962 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)NC(C)=O ZINC000249122396 346490716 /nfs/dbraw/zinc/49/07/16/346490716.db2.gz XMDIRUCPIBJGJW-GXSJLCMTSA-N 0 3 241.335 0.112 20 0 BCADHN Cn1ncc2c1CCC[C@H]2N[C@@H]1CC[C@H]1O ZINC000382040419 347096054 /nfs/dbraw/zinc/09/60/54/347096054.db2.gz XLQLRORQBMRFGJ-CKYFFXLPSA-N 0 3 221.304 0.910 20 0 BCADHN C[C@@H](CCNS(N)(=O)=O)N1CCCCC1 ZINC000182447710 347096092 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/nfs/dbraw/zinc/57/93/76/346579376.db2.gz DMPAJEAMQGODOK-LLVKDONJSA-N 0 3 230.352 0.973 20 0 BCADHN CCCN1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626169077 346606077 /nfs/dbraw/zinc/60/60/77/346606077.db2.gz FJWMIJVZJICSTC-JTQLQIEISA-N 0 3 234.365 0.658 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC(SC)CC1 ZINC000300911669 346652108 /nfs/dbraw/zinc/65/21/08/346652108.db2.gz XLTWXFRNWUQOGH-NSHDSACASA-N 0 3 247.360 0.738 20 0 BCADHN CCN(Cc1cnn(C)c1)C(=O)[C@@H](N)C(C)C ZINC000166077545 346664774 /nfs/dbraw/zinc/66/47/74/346664774.db2.gz AOIMJUXOYVMTCR-NSHDSACASA-N 0 3 238.335 0.752 20 0 BCADHN COC[C@@H](O)CNCc1ccn2ccnc2c1 ZINC000580185233 346630320 /nfs/dbraw/zinc/63/03/20/346630320.db2.gz BVGWMMNBRZBQNM-NSHDSACASA-N 0 3 235.287 0.431 20 0 BCADHN O=C(CNC[C@H]1CCCO1)Nc1cncnc1 ZINC000580189600 346638999 /nfs/dbraw/zinc/63/89/99/346638999.db2.gz UOYGMCUKRNEHGQ-SNVBAGLBSA-N 0 3 236.275 0.184 20 0 BCADHN C[C@@]1(F)CCN(CC[C@@H]2CCNC2=O)C1 ZINC000580208543 346672794 /nfs/dbraw/zinc/67/27/94/346672794.db2.gz FXMZVLFETGVGRH-GXSJLCMTSA-N 0 3 214.284 0.947 20 0 BCADHN C[C@@H](CNC(=O)c1ccn(C)n1)N(C)C ZINC000589457965 346702851 /nfs/dbraw/zinc/70/28/51/346702851.db2.gz SAFYOLHXWMKVIL-QMMMGPOBSA-N 0 3 210.281 0.100 20 0 BCADHN Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2)n1 ZINC000237689768 179138584 /nfs/dbraw/zinc/13/85/84/179138584.db2.gz CHDDEZAPHPBGKU-BDAKNGLRSA-N 0 3 221.260 0.051 20 0 BCADHN CCC[C@@H](C)[N@@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192850893 365850059 /nfs/dbraw/zinc/85/00/59/365850059.db2.gz QARKKHUTBZSNOX-BXKDBHETSA-N 0 3 239.319 0.849 20 0 BCADHN CCC[C@@H](C)[N@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192850893 365850063 /nfs/dbraw/zinc/85/00/63/365850063.db2.gz QARKKHUTBZSNOX-BXKDBHETSA-N 0 3 239.319 0.849 20 0 BCADHN Cn1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)n1 ZINC000589486453 346707185 /nfs/dbraw/zinc/70/71/85/346707185.db2.gz VIRWWTAOKSNWFW-LLVKDONJSA-N 0 3 248.330 0.730 20 0 BCADHN CCN1CCCN(C(=O)N2CCOCC2)CC1 ZINC000307899587 346709224 /nfs/dbraw/zinc/70/92/24/346709224.db2.gz QUIRZDBETCLHKK-UHFFFAOYSA-N 0 3 241.335 0.466 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc(-c2cn(C)nn2)c1 ZINC000580217993 346709255 /nfs/dbraw/zinc/70/92/55/346709255.db2.gz MDRMTMUHXAKLIB-QMMMGPOBSA-N 0 3 245.286 0.768 20 0 BCADHN COCCOC[C@H](O)CNCc1ccn(C)c1 ZINC000562991650 346719585 /nfs/dbraw/zinc/71/95/85/346719585.db2.gz QGFOZLXKNORNHQ-GFCCVEGCSA-N 0 3 242.319 0.139 20 0 BCADHN COC[C@@H](C)NCc1ccc(CC(N)=O)cc1 ZINC000589633222 346720353 /nfs/dbraw/zinc/72/03/53/346720353.db2.gz CWIFXPRVUJGGPO-SNVBAGLBSA-N 0 3 236.315 0.839 20 0 BCADHN CCOC(=O)COCCN(C)C[C@H](O)C1CC1 ZINC000589255341 346679752 /nfs/dbraw/zinc/67/97/52/346679752.db2.gz YPFLTJQQIFBIRR-NSHDSACASA-N 0 3 245.319 0.269 20 0 BCADHN Nc1nccc([C@@H]2CCCN(CCO)C2)n1 ZINC000205701409 346692360 /nfs/dbraw/zinc/69/23/60/346692360.db2.gz PQUFZYISXIEYBF-SECBINFHSA-N 0 3 222.292 0.231 20 0 BCADHN CCN1CCC(NC(=O)NC2(C)COC2)CC1 ZINC000636476525 346698206 /nfs/dbraw/zinc/69/82/06/346698206.db2.gz WBFFYRRQBUCYFY-UHFFFAOYSA-N 0 3 241.335 0.559 20 0 BCADHN CS[C@H](C)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590044257 346766690 /nfs/dbraw/zinc/76/66/90/346766690.db2.gz JHWMLUDJPCQQKY-KXUCPTDWSA-N 0 3 228.361 0.900 20 0 BCADHN COCCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C ZINC000590118920 346775823 /nfs/dbraw/zinc/77/58/23/346775823.db2.gz CIRQEBXDGVPOLL-QJPTWQEYSA-N 0 3 240.347 0.869 20 0 BCADHN COC[C@@]1(C)CN(C[C@H]2CCOC2)CCO1 ZINC000626173129 346732170 /nfs/dbraw/zinc/73/21/70/346732170.db2.gz NQTJBYXQMIPNGN-VXGBXAGGSA-N 0 3 229.320 0.760 20 0 BCADHN CN(C[C@H](O)C(F)(F)F)C[C@@H]1CCOC1 ZINC000181244589 346753326 /nfs/dbraw/zinc/75/33/26/346753326.db2.gz GXQZJEALKHASFE-YUMQZZPRSA-N 0 3 227.226 0.878 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000590161860 346784365 /nfs/dbraw/zinc/78/43/65/346784365.db2.gz QMSCZFQXFHPLCE-OPRDCNLKSA-N 0 3 211.309 0.788 20 0 BCADHN CN(C)CCn1ccc(C(=O)NCCF)n1 ZINC000577190112 365870334 /nfs/dbraw/zinc/87/03/34/365870334.db2.gz ITXSCOOZTGLQNO-UHFFFAOYSA-N 0 3 228.271 0.144 20 0 BCADHN C[C@@H](O)CCN1CCSC[C@@H]1CO ZINC000387886510 347115635 /nfs/dbraw/zinc/11/56/35/347115635.db2.gz FVJRVDYDHZRNFA-BDAKNGLRSA-N 0 3 205.323 0.167 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@]1(C)CCOC1 ZINC000261570362 535055777 /nfs/dbraw/zinc/05/57/77/535055777.db2.gz GTTQOZVOOWANMK-GXSJLCMTSA-N 0 3 214.309 0.513 20 0 BCADHN CCOC(=O)CC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590444289 347117987 /nfs/dbraw/zinc/11/79/87/347117987.db2.gz NSFHXVDTAUEWCZ-VHSXEESVSA-N 0 3 240.303 0.102 20 0 BCADHN COC[C@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000641828169 362776667 /nfs/dbraw/zinc/77/66/67/362776667.db2.gz MFKWWBZUYWKQBH-IUCAKERBSA-N 0 3 217.313 0.271 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1Cc1nncn1C ZINC000582059049 347151737 /nfs/dbraw/zinc/15/17/37/347151737.db2.gz MPGFQIUNYTUWGU-LLVKDONJSA-N 0 3 237.351 0.587 20 0 BCADHN CCOCC[C@H](O)CNCc1ccnn1C ZINC000582057391 347152611 /nfs/dbraw/zinc/15/26/11/347152611.db2.gz JKQSSUJVQKTUFS-NSHDSACASA-N 0 3 227.308 0.297 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccc(N)cn2)[C@H]1C ZINC000582064191 347158159 /nfs/dbraw/zinc/15/81/59/347158159.db2.gz XNMUEQMXPFVNBT-BDAKNGLRSA-N 0 3 234.303 0.486 20 0 BCADHN Cc1cccc(O[C@@H](C)CNC(=O)CN)c1 ZINC000083351939 179173931 /nfs/dbraw/zinc/17/39/31/179173931.db2.gz KVGNICPMGAJRAA-JTQLQIEISA-N 0 3 222.288 0.837 20 0 BCADHN OC[C@@H]1CC[C@H](CNCC2(F)CC2)O1 ZINC000382095436 347161064 /nfs/dbraw/zinc/16/10/64/347161064.db2.gz AFCORBGUWJRFHG-BDAKNGLRSA-N 0 3 203.257 0.618 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1C[C@H](O)C(C)(C)C1 ZINC000387920524 347128129 /nfs/dbraw/zinc/12/81/29/347128129.db2.gz YTNHWBAVJIXNSL-QWRGUYRKSA-N 0 3 242.363 0.946 20 0 BCADHN OC[C@@H]1CSCCN1C[C@H]1CCCC[C@H]1O ZINC000388135248 347203759 /nfs/dbraw/zinc/20/37/59/347203759.db2.gz FAZRACDEKLVXKY-IJLUTSLNSA-N 0 3 245.388 0.947 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000087790805 535057549 /nfs/dbraw/zinc/05/75/49/535057549.db2.gz URHFMIIWXFIWEX-IMSYWVGJSA-N 0 3 212.293 0.406 20 0 BCADHN COC[C@H](C)NC(=O)N(C)C[C@H]1CCCN1C ZINC000641841585 362784831 /nfs/dbraw/zinc/78/48/31/362784831.db2.gz YBFMZPBNYSVDBH-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCCC1(C)C ZINC000419216884 192104579 /nfs/dbraw/zinc/10/45/79/192104579.db2.gz CEIYGFYARYFDRA-RKDXNWHRSA-N 0 3 241.335 0.145 20 0 BCADHN CCN1CCC[C@H](NC(=O)[C@@H](N)CC(F)F)C1 ZINC000310073698 347226276 /nfs/dbraw/zinc/22/62/76/347226276.db2.gz FKHXWSGSWPWIPG-IUCAKERBSA-N 0 3 249.305 0.569 20 0 BCADHN CC[C@@H](CN1CCC[C@H]1C(=O)NC)OC ZINC000419211718 192104867 /nfs/dbraw/zinc/10/48/67/192104867.db2.gz STJHXCXHNCFLFO-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN O[C@H]1CN(CCOCc2ccccc2)C[C@@H]1O ZINC000034604995 347231208 /nfs/dbraw/zinc/23/12/08/347231208.db2.gz GLAYJSGZXQLNNL-STQMWFEESA-N 0 3 237.299 0.241 20 0 BCADHN Cc1ccc(CNC(=O)COC2(C)CNC2)o1 ZINC000161162316 362796627 /nfs/dbraw/zinc/79/66/27/362796627.db2.gz YQCQGOJNUCTLDP-UHFFFAOYSA-N 0 3 238.287 0.583 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1CS[C@H](C)C1 ZINC000250310581 362799305 /nfs/dbraw/zinc/79/93/05/362799305.db2.gz LTDJBNCYMQCIKS-HRDYMLBCSA-N 0 3 216.350 0.995 20 0 BCADHN CN1CCN(CCc2ccccc2)[C@@H](CO)C1 ZINC000250421182 362804063 /nfs/dbraw/zinc/80/40/63/362804063.db2.gz ZFNQVRZZDLWRRH-CQSZACIVSA-N 0 3 234.343 0.837 20 0 BCADHN CCN1CCC(N[C@H](C)CS(C)(=O)=O)CC1 ZINC000081900771 347256476 /nfs/dbraw/zinc/25/64/76/347256476.db2.gz KDEHWDHDOAHCFK-SNVBAGLBSA-N 0 3 248.392 0.493 20 0 BCADHN CN1CC[C@H](CSc2nncn2C)C1 ZINC000187656824 347260830 /nfs/dbraw/zinc/26/08/30/347260830.db2.gz AZSLWYUIZVFOJS-QMMMGPOBSA-N 0 3 212.322 0.859 20 0 BCADHN COC[C@@H](C)CN1CCO[C@]2(CCOC2)C1 ZINC000188542089 347283846 /nfs/dbraw/zinc/28/38/46/347283846.db2.gz GXNAAMOOQHCQEZ-NWDGAFQWSA-N 0 3 229.320 0.760 20 0 BCADHN CCOC(=O)CC(=O)NC[C@@H]1CCCN1C ZINC000082290010 347341366 /nfs/dbraw/zinc/34/13/66/347341366.db2.gz QMTZELKUXTUDBT-VIFPVBQESA-N 0 3 228.292 0.150 20 0 BCADHN COC[C@H](C)CN1CCC[C@@H]1C(=O)N(C)C ZINC000189601270 347305235 /nfs/dbraw/zinc/30/52/35/347305235.db2.gz GNIYRLHALIOMHP-GHMZBOCLSA-N 0 3 228.336 0.822 20 0 BCADHN O=C(CCOC1CNC1)NCc1cccs1 ZINC000348988661 136742208 /nfs/dbraw/zinc/74/22/08/136742208.db2.gz BPHQKPIOHKMGQK-UHFFFAOYSA-N 0 3 240.328 0.743 20 0 BCADHN CCCCS(=O)(=O)N[C@H]1CCCNC1 ZINC000019281741 347309665 /nfs/dbraw/zinc/30/96/65/347309665.db2.gz VRAIQUSPOZKZPR-VIFPVBQESA-N 0 3 220.338 0.458 20 0 BCADHN Cc1nc(CNC(=O)[C@H](C)N)sc1C ZINC000082255778 347317734 /nfs/dbraw/zinc/31/77/34/347317734.db2.gz XJSNLFJJGHVHDI-YFKPBYRVSA-N 0 3 213.306 0.723 20 0 BCADHN CCOC(=O)CC(=O)NC1CCN(C)CC1 ZINC000082264704 347320049 /nfs/dbraw/zinc/32/00/49/347320049.db2.gz WGZUDQMHHNTNFT-UHFFFAOYSA-N 0 3 228.292 0.150 20 0 BCADHN CC1(C)CC[C@@H]1NCC(=O)NC(=O)NC1CC1 ZINC000571414415 323144017 /nfs/dbraw/zinc/14/40/17/323144017.db2.gz OQPKCAPOBKQDKV-VIFPVBQESA-N 0 3 239.319 0.753 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2cn[nH]c2)CCN1 ZINC000621152097 347408745 /nfs/dbraw/zinc/40/87/45/347408745.db2.gz OPDYTYUFCPGURM-SNVBAGLBSA-N 0 3 222.292 0.480 20 0 BCADHN CN(C)C[C@@H]1CCCCN1C(=O)c1c[nH]cn1 ZINC000605661993 347412585 /nfs/dbraw/zinc/41/25/85/347412585.db2.gz BNOCCZMZAZMHQL-JTQLQIEISA-N 0 3 236.319 0.966 20 0 BCADHN CN(c1nc(N)nc(N)n1)C1CCCC1 ZINC000623820396 347365038 /nfs/dbraw/zinc/36/50/38/347365038.db2.gz WWBGQADWSPXXPJ-UHFFFAOYSA-N 0 3 208.269 0.076 20 0 BCADHN CC(C)OC[C@H](O)CNCc1cncn1C ZINC000388425457 347399016 /nfs/dbraw/zinc/39/90/16/347399016.db2.gz KDNYURXAJCASBO-LLVKDONJSA-N 0 3 227.308 0.296 20 0 BCADHN COCCOCCCNC(=O)C1(N)CCC1 ZINC000088050763 362841016 /nfs/dbraw/zinc/84/10/16/362841016.db2.gz COIIVCKHZBABDF-UHFFFAOYSA-N 0 3 230.308 0.037 20 0 BCADHN C[C@@H](Cn1ccnc1)NC(=O)C1(N)CCC1 ZINC000088050445 362841077 /nfs/dbraw/zinc/84/10/77/362841077.db2.gz LZRYDDHDZVMKRQ-VIFPVBQESA-N 0 3 222.292 0.269 20 0 BCADHN C[C@@H](N(C)CC(=O)NC(C)(C)C)C(C)(C)O ZINC000382822145 347439974 /nfs/dbraw/zinc/43/99/74/347439974.db2.gz YLGCPPGJJNGNMW-SECBINFHSA-N 0 3 230.352 0.992 20 0 BCADHN CN(Cc1cnc[nH]1)C(=O)[C@H]1CCCCN1C ZINC000616925838 347457307 /nfs/dbraw/zinc/45/73/07/347457307.db2.gz RXVKLTAGLAIXHV-LLVKDONJSA-N 0 3 236.319 0.852 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)C(C)(C)CO)CCN1 ZINC000621157226 347448682 /nfs/dbraw/zinc/44/86/82/347448682.db2.gz REXNRCNALSUUIK-JTQLQIEISA-N 0 3 228.336 0.461 20 0 BCADHN Cc1cnc(NC(=O)[C@@H]2C[C@@H](O)CN2)s1 ZINC000020434292 347448802 /nfs/dbraw/zinc/44/88/02/347448802.db2.gz KPVQXGLLJJCNQZ-RQJHMYQMSA-N 0 3 227.289 0.113 20 0 BCADHN COC(=O)C1(CN2CCNC(=O)C[C@H]2C)CC1 ZINC000590710233 347498853 /nfs/dbraw/zinc/49/88/53/347498853.db2.gz BQHIMKGUFINTSJ-SECBINFHSA-N 0 3 240.303 0.150 20 0 BCADHN CCN(CC(=O)N(C)C)CC1(C(=O)OC)CC1 ZINC000590685756 347490611 /nfs/dbraw/zinc/49/06/11/347490611.db2.gz NSGDHRMVIVLVSG-UHFFFAOYSA-N 0 3 242.319 0.350 20 0 BCADHN CC[C@@H](C(=O)N(C)Cc1c[nH]cn1)N(C)C ZINC000616926870 347459349 /nfs/dbraw/zinc/45/93/49/347459349.db2.gz SQCDLXPFUDSRSC-JTQLQIEISA-N 0 3 224.308 0.708 20 0 BCADHN CC[C@@H](C(=O)N(C)Cc1cnc[nH]1)N(C)C ZINC000616926870 347459351 /nfs/dbraw/zinc/45/93/51/347459351.db2.gz SQCDLXPFUDSRSC-JTQLQIEISA-N 0 3 224.308 0.708 20 0 BCADHN Cc1cnccc1CNCCC(=O)NC(N)=O ZINC000577216789 365885606 /nfs/dbraw/zinc/88/56/06/365885606.db2.gz XWQVMNUORRLISA-UHFFFAOYSA-N 0 3 236.275 0.065 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@H](O)C2CCC2)CCN1 ZINC000621161363 347518236 /nfs/dbraw/zinc/51/82/36/347518236.db2.gz XWHCWLVRVBZINA-NEPJUHHUSA-N 0 3 240.347 0.604 20 0 BCADHN CCOC(=O)[C@H]1CCCN1C(=O)CNC1CC1 ZINC000571566978 323148749 /nfs/dbraw/zinc/14/87/49/323148749.db2.gz VAUAOXLOCXWHAD-SNVBAGLBSA-N 0 3 240.303 0.293 20 0 BCADHN Cc1cc(CNCCc2nc(C)n[nH]2)on1 ZINC000392348353 347536795 /nfs/dbraw/zinc/53/67/95/347536795.db2.gz HCONTUZYWRTISD-UHFFFAOYSA-N 0 3 221.264 0.742 20 0 BCADHN Cc1cc(CNCCc2n[nH]c(C)n2)on1 ZINC000392348353 347536800 /nfs/dbraw/zinc/53/68/00/347536800.db2.gz HCONTUZYWRTISD-UHFFFAOYSA-N 0 3 221.264 0.742 20 0 BCADHN CN1CCC[C@H](NC(=O)NC[C@H]2CCCO2)C1 ZINC000616982666 347564673 /nfs/dbraw/zinc/56/46/73/347564673.db2.gz 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UJXZTDNCRBCIFD-JLIMDTESSA-N 0 3 228.292 0.183 20 0 BCADHN CC[C@@H](C)CCNC(=O)[C@@H](N)CCC(=O)OC ZINC000595938962 348408833 /nfs/dbraw/zinc/40/88/33/348408833.db2.gz BVPXBOWCTDGPDJ-ZJUUUORDSA-N 0 3 244.335 0.819 20 0 BCADHN C[C@@H](O)CN(CCO)CCOCC1CCC1 ZINC000419283561 192123785 /nfs/dbraw/zinc/12/37/85/192123785.db2.gz SEAPUEBIPCIFFW-LLVKDONJSA-N 0 3 231.336 0.478 20 0 BCADHN CSCC[C@@H](N)C(=O)NCCOCCF ZINC000595993253 348421367 /nfs/dbraw/zinc/42/13/67/348421367.db2.gz XMSPNNHJMJCHDO-MRVPVSSYSA-N 0 3 238.328 0.169 20 0 BCADHN CCOC(=O)CN(C[C@H]1CNCCO1)C1CC1 ZINC000595892086 348390899 /nfs/dbraw/zinc/39/08/99/348390899.db2.gz KFHFJPKMYQTZHC-LLVKDONJSA-N 0 3 242.319 0.002 20 0 BCADHN CCOC(=O)[C@@H](C)N1CC[C@@H](F)[C@H](N)C1 ZINC000595905376 348396611 /nfs/dbraw/zinc/39/66/11/348396611.db2.gz CSWOJIPBVWVDQF-IWSPIJDZSA-N 0 3 218.272 0.309 20 0 BCADHN CCNC(=O)NC(=O)CN(C)C[C@@H]1CC1(C)C ZINC000595912452 348399008 /nfs/dbraw/zinc/39/90/08/348399008.db2.gz MISCJGKTMONCTG-VIFPVBQESA-N 0 3 241.335 0.810 20 0 BCADHN CN(CC(=O)NC(N)=O)C[C@H]1CC1(C)C ZINC000595912080 348399093 /nfs/dbraw/zinc/39/90/93/348399093.db2.gz IJZMYEALOVNJMY-SSDOTTSWSA-N 0 3 213.281 0.159 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N(C)C[C@@H]1CC1(C)C ZINC000595912700 348399498 /nfs/dbraw/zinc/39/94/98/348399498.db2.gz PCILNFCCGNJXGD-IUCAKERBSA-N 0 3 241.335 0.808 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N(C)C[C@@H]1CC1(C)C ZINC000595912698 348399742 /nfs/dbraw/zinc/39/97/42/348399742.db2.gz PCILNFCCGNJXGD-BDAKNGLRSA-N 0 3 241.335 0.808 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N(C)C[C@H]1CC1(C)C ZINC000595912699 348399812 /nfs/dbraw/zinc/39/98/12/348399812.db2.gz PCILNFCCGNJXGD-DTWKUNHWSA-N 0 3 241.335 0.808 20 0 BCADHN CNC(=O)NC(=O)CN(C)C[C@H]1CC1(C)C ZINC000595915254 348399976 /nfs/dbraw/zinc/39/99/76/348399976.db2.gz YNLUKQOJIDPULS-MRVPVSSYSA-N 0 3 227.308 0.420 20 0 BCADHN COC(=O)CCCCNC(=O)CNC(C)C ZINC000595924269 348402222 /nfs/dbraw/zinc/40/22/22/348402222.db2.gz JZSFQPYUSHZWPX-UHFFFAOYSA-N 0 3 230.308 0.444 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419391654 192130011 /nfs/dbraw/zinc/13/00/11/192130011.db2.gz JWVUINMZKVQHEC-LURQLKTLSA-N 0 3 227.308 0.546 20 0 BCADHN C[C@H]1[C@@H](C)N(CC(=O)N2CCOCC2)C[C@H]1C ZINC000419396952 192130963 /nfs/dbraw/zinc/13/09/63/192130963.db2.gz TXGZDTHWUDRQJE-IJLUTSLNSA-N 0 3 240.347 0.822 20 0 BCADHN COC(=O)CNC(=O)CN1C[C@H](C)[C@H](C)[C@H]1C ZINC000419396778 192131268 /nfs/dbraw/zinc/13/12/68/192131268.db2.gz SZEIZOXLWXYIEX-LPEHRKFASA-N 0 3 242.319 0.252 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H](CO)[C@@H]1C ZINC000395123397 323188108 /nfs/dbraw/zinc/18/81/08/323188108.db2.gz VLXITIMSQGPNEB-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)C1(CNC(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000419520041 192138379 /nfs/dbraw/zinc/13/83/79/192138379.db2.gz DWQVVHPOKVZAPZ-VIFPVBQESA-N 0 3 241.335 0.002 20 0 BCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCC1(C)CCC1 ZINC000419527786 192139879 /nfs/dbraw/zinc/13/98/79/192139879.db2.gz GMKCPFIRZQOPRT-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN CO[C@@H](CNC(=O)NCCN(C)C)CC(C)C ZINC000419534192 192140666 /nfs/dbraw/zinc/14/06/66/192140666.db2.gz JNSWSFCEBKDVMR-LLVKDONJSA-N 0 3 245.367 0.908 20 0 BCADHN CCCC[C@@H](CN)NC(=O)C(=O)NC1CCC1 ZINC000419626830 192142607 /nfs/dbraw/zinc/14/26/07/192142607.db2.gz NKDBFWMIKQMSHX-JTQLQIEISA-N 0 3 241.335 0.289 20 0 BCADHN C[C@H](CN)N(C)C(=O)C(=O)NCc1ccccc1 ZINC000419725998 192143959 /nfs/dbraw/zinc/14/39/59/192143959.db2.gz TXHMCPIIQZJPBU-SNVBAGLBSA-N 0 3 249.314 0.108 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1cccc2cc[nH]c21 ZINC000419792799 192144642 /nfs/dbraw/zinc/14/46/42/192144642.db2.gz AMHXZKGOSHWFPC-BXKDBHETSA-N 0 3 234.299 0.999 20 0 BCADHN NCCNC(=O)C(=O)NCCC1=CCCCC1 ZINC000419788597 192144796 /nfs/dbraw/zinc/14/47/96/192144796.db2.gz BRZXGTPDKCSLRF-UHFFFAOYSA-N 0 3 239.319 0.068 20 0 BCADHN Cc1ccn2c(CN[C@H](CO)[C@@H](C)O)cnc2c1 ZINC000419795278 192144945 /nfs/dbraw/zinc/14/49/45/192144945.db2.gz JMIBXDLNEOPICY-ZYHUDNBSSA-N 0 3 249.314 0.474 20 0 BCADHN CC(C)CC[C@@H](C)NC(=O)C(=O)N(C)CCN ZINC000419798957 192145121 /nfs/dbraw/zinc/14/51/21/192145121.db2.gz WIJIWFICNWNRFG-SNVBAGLBSA-N 0 3 243.351 0.344 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCC1=Cc2ccccc2OC1 ZINC000419793745 192145380 /nfs/dbraw/zinc/14/53/80/192145380.db2.gz CMKWTXWIAZPJAG-ZWNOBZJWSA-N 0 3 249.310 0.794 20 0 BCADHN CN1CCN(CCCCNC(=O)C2CC2)CC1 ZINC000041362500 490180456 /nfs/dbraw/zinc/18/04/56/490180456.db2.gz QDSUFEPDPZZGAU-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN Cc1ccsc1CN[C@H](CO)[C@@H](C)O ZINC000419808987 192145631 /nfs/dbraw/zinc/14/56/31/192145631.db2.gz KBNYMYJESVBVQP-RKDXNWHRSA-N 0 3 215.318 0.888 20 0 BCADHN C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(C)CCN ZINC000419814086 192145780 /nfs/dbraw/zinc/14/57/80/192145780.db2.gz OQDQHGCMLKPECT-UWVGGRQHSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N[C@H]1CCCC[C@H]1C ZINC000419816695 192146109 /nfs/dbraw/zinc/14/61/09/192146109.db2.gz QSEAKCSOZRXTMX-UTLUCORTSA-N 0 3 241.335 0.145 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000419816690 192146309 /nfs/dbraw/zinc/14/63/09/192146309.db2.gz QSEAKCSOZRXTMX-LPEHRKFASA-N 0 3 241.335 0.145 20 0 BCADHN CCC[C@@H](O)[C@H](CO)NCc1cncn1CC ZINC000419825030 192146586 /nfs/dbraw/zinc/14/65/86/192146586.db2.gz PTAJEPDAQDPXFJ-NWDGAFQWSA-N 0 3 241.335 0.515 20 0 BCADHN C[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1ccnn1C ZINC000652259676 490176601 /nfs/dbraw/zinc/17/66/01/490176601.db2.gz UKUNWCQMWQFYAS-XHNCKOQMSA-N 0 3 222.292 0.335 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCCN1C)[C@H](C)O ZINC000419906687 192148658 /nfs/dbraw/zinc/14/86/58/192148658.db2.gz WVHSRFWBRZEPAB-DCAQKATOSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCCN(C)[C@H]1C)[C@@H](C)O ZINC000419950338 192151267 /nfs/dbraw/zinc/15/12/67/192151267.db2.gz HCTABOSJHWJKOR-WHOHXGKFSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@H]1[C@@H](C)CCN1C(=O)C(=O)N[C@H](C)CN ZINC000420014906 192153162 /nfs/dbraw/zinc/15/31/62/192153162.db2.gz PICFJRCEDSAHSD-AEJSXWLSSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H](C(=O)N(C)CCN(C)C1CC1)[C@H](C)O ZINC000419969433 192153405 /nfs/dbraw/zinc/15/34/05/192153405.db2.gz SGAZDLZYJFFMHZ-JQWIXIFHSA-N 0 3 242.363 0.946 20 0 BCADHN CCCN(CCC)C(=O)C(=O)N[C@H](C)CN ZINC000420019140 192153470 /nfs/dbraw/zinc/15/34/70/192153470.db2.gz ZSFYGDAEGKOSTI-SECBINFHSA-N 0 3 229.324 0.098 20 0 BCADHN CC[C@@H](C(=O)N(CCN(C)C)C1CC1)[C@H](C)O ZINC000419969250 192153602 /nfs/dbraw/zinc/15/36/02/192153602.db2.gz BWLROSYVYYPMRM-CMPLNLGQSA-N 0 3 242.363 0.946 20 0 BCADHN CO[C@@H]1CCC[C@H](N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000069846849 490185293 /nfs/dbraw/zinc/18/52/93/490185293.db2.gz VPUDIYCPLSPSSF-HBNTYKKESA-N 0 3 247.360 0.721 20 0 BCADHN CCC1CCN(C(=O)C(=O)N[C@H](C)CN)CC1 ZINC000419995562 192156113 /nfs/dbraw/zinc/15/61/13/192156113.db2.gz IFOKYVNQHODFQU-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@H](C[S@](C)=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000597081016 348658154 /nfs/dbraw/zinc/65/81/54/348658154.db2.gz ZIRDPXGHXDRELJ-RYVSBMNDSA-N 0 3 231.361 0.911 20 0 BCADHN Cc1cnc(CNC[C@@H]2CC[C@@H](O)C2)n1C ZINC000309726690 179604976 /nfs/dbraw/zinc/60/49/76/179604976.db2.gz YEINDEZDNRICKM-GHMZBOCLSA-N 0 3 223.320 0.979 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000420035103 192158482 /nfs/dbraw/zinc/15/84/82/192158482.db2.gz YAFFEFYKRQIIOO-UTLUCORTSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000037503408 348627778 /nfs/dbraw/zinc/62/77/78/348627778.db2.gz WYOACASHWDQQRR-VXGBXAGGSA-N 0 3 212.337 0.926 20 0 BCADHN CCCN(CC)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420040934 192159145 /nfs/dbraw/zinc/15/91/45/192159145.db2.gz PKPWTPDMZPXHKE-SNVBAGLBSA-N 0 3 241.335 0.098 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H]1CCSC1 ZINC000597188155 348685258 /nfs/dbraw/zinc/68/52/58/348685258.db2.gz VLVWLABVGYCXDU-XHNCKOQMSA-N 0 3 231.317 0.412 20 0 BCADHN COC(=O)c1ccc(CNC/C=C/CO)[nH]1 ZINC000597188444 348685414 /nfs/dbraw/zinc/68/54/14/348685414.db2.gz XQXNJZFVMKXQOV-NSCUHMNNSA-N 0 3 224.260 0.439 20 0 BCADHN COC(=O)[C@H]1C[C@H](NCc2cnc(C)nc2)C1 ZINC000597243472 348687364 /nfs/dbraw/zinc/68/73/64/348687364.db2.gz KYSGRXRNNGXDEP-XYPYZODXSA-N 0 3 235.287 0.826 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NCc2cnc(C)n2C)C1 ZINC000597220143 348691435 /nfs/dbraw/zinc/69/14/35/348691435.db2.gz AJRAKSQZAQQBHL-AOOOYVTPSA-N 0 3 237.303 0.770 20 0 BCADHN CS[C@@H](C)CCC(=O)N[C@H](CO)CN(C)C ZINC000597653000 348776178 /nfs/dbraw/zinc/77/61/78/348776178.db2.gz HCBCUYLYLUJNNK-UWVGGRQHSA-N 0 3 248.392 0.557 20 0 BCADHN OCCN1CCN(C[C@H]2CCCC[C@@H]2O)CC1 ZINC000053881459 348750016 /nfs/dbraw/zinc/75/00/16/348750016.db2.gz KMTAITQVQBSHNM-OLZOCXBDSA-N 0 3 242.363 0.147 20 0 BCADHN CSCC(=O)N(C)C[C@@H]1CCCN1C ZINC000421706652 192374880 /nfs/dbraw/zinc/37/48/80/192374880.db2.gz VKCFJJRQKOAXKR-VIFPVBQESA-N 0 3 216.350 0.902 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)Cn1cccn1 ZINC000421705158 192374981 /nfs/dbraw/zinc/37/49/81/192374981.db2.gz QQLXFVOSQJITHY-NSHDSACASA-N 0 3 236.319 0.436 20 0 BCADHN COC[C@@H](C)CN1CCN2CCOC[C@@H]2C1 ZINC000527357892 323197832 /nfs/dbraw/zinc/19/78/32/323197832.db2.gz SJCJIOAQSFGTFE-RYUDHWBXSA-N 0 3 228.336 0.285 20 0 BCADHN Cc1cc(C)n(CCCNC(=O)C(C)(C)N)n1 ZINC000133550853 490194930 /nfs/dbraw/zinc/19/49/30/490194930.db2.gz ZMWXSVCCKRWRNQ-UHFFFAOYSA-N 0 3 238.335 0.744 20 0 BCADHN COC(=O)[C@H](C)N1CCCN(C)CC1 ZINC000049956486 348866806 /nfs/dbraw/zinc/86/68/06/348866806.db2.gz MHROVMGARIRNOV-VIFPVBQESA-N 0 3 200.282 0.185 20 0 BCADHN CN[C@H](C)C(=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000054076714 348880288 /nfs/dbraw/zinc/88/02/88/348880288.db2.gz ZLSZHQDIZYMKNU-UTLUCORTSA-N 0 3 212.293 0.374 20 0 BCADHN Cc1cnn(C)c1CNC[C@](C)(O)C1CC1 ZINC000309863345 179721240 /nfs/dbraw/zinc/72/12/40/179721240.db2.gz NNWOHAHVNYUUHA-LBPRGKRZSA-N 0 3 223.320 0.979 20 0 BCADHN COCCN(C)CCCNC(=O)[C@H]1CC12CC2 ZINC000421744744 192378676 /nfs/dbraw/zinc/37/86/76/192378676.db2.gz PVCZHGGBBOOJER-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000308867626 348979924 /nfs/dbraw/zinc/97/99/24/348979924.db2.gz GXAHJKKMPSARIU-QNSHHTMESA-N 0 3 210.277 0.019 20 0 BCADHN NC1(C(=O)N[C@H]2CCCOCC2)CCC1 ZINC000308872004 348980653 /nfs/dbraw/zinc/98/06/53/348980653.db2.gz ZJJMMDCKQKYJQX-VIFPVBQESA-N 0 3 212.293 0.553 20 0 BCADHN CC[C@H](C(=O)N[C@H]1C[C@H](C(=O)OC)C1)N(C)C ZINC000598518825 348981714 /nfs/dbraw/zinc/98/17/14/348981714.db2.gz QVGUXBZKQCXHAJ-OPRDCNLKSA-N 0 3 242.319 0.394 20 0 BCADHN OCCCN1CCC2(CC1)OCCO2 ZINC000054338477 348991332 /nfs/dbraw/zinc/99/13/32/348991332.db2.gz INBYGYCYILWZSL-UHFFFAOYSA-N 0 3 201.266 0.208 20 0 BCADHN COC(=O)CCCN1CC[C@H](C)[C@H](CO)C1 ZINC000598651041 349012179 /nfs/dbraw/zinc/01/21/79/349012179.db2.gz QFERKJDMPHGVCZ-QWRGUYRKSA-N 0 3 229.320 0.890 20 0 BCADHN CC[S@](=O)CC(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000598737304 349035288 /nfs/dbraw/zinc/03/52/88/349035288.db2.gz VKROJQQZUJAJEK-LSYCYVAJSA-N 0 3 246.376 0.306 20 0 BCADHN COC[C@](C)(O)CNCc1c[nH]nc1C ZINC000308900856 349056526 /nfs/dbraw/zinc/05/65/26/349056526.db2.gz BILXIBDZHXLGHG-SNVBAGLBSA-N 0 3 213.281 0.205 20 0 BCADHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1cn[nH]n1 ZINC000598984552 349071255 /nfs/dbraw/zinc/07/12/55/349071255.db2.gz OUXGEQFFONTAOQ-BWVDBABLSA-N 0 3 224.264 0.092 20 0 BCADHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1c[nH]nn1 ZINC000598984552 349071259 /nfs/dbraw/zinc/07/12/59/349071259.db2.gz OUXGEQFFONTAOQ-BWVDBABLSA-N 0 3 224.264 0.092 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CCCCC(=O)OC ZINC000599271246 349136883 /nfs/dbraw/zinc/13/68/83/349136883.db2.gz VVXWIWUFJWPATM-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN COC(=O)CCCCN1CC[C@@H](O)[C@@H](CO)C1 ZINC000599437489 349176952 /nfs/dbraw/zinc/17/69/52/349176952.db2.gz RGFQNQSHZBTXOS-GHMZBOCLSA-N 0 3 245.319 0.005 20 0 BCADHN COCC1CCN(C[C@H]2CNCCO2)CC1 ZINC000070650905 490230472 /nfs/dbraw/zinc/23/04/72/490230472.db2.gz IIVKUPGYJBOMHB-GFCCVEGCSA-N 0 3 228.336 0.333 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)C1(CO)CCC1 ZINC000599425471 349184607 /nfs/dbraw/zinc/18/46/07/349184607.db2.gz IRYNPQYKMDBOSM-JTQLQIEISA-N 0 3 245.319 0.147 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(CC)[C@@H](C)CO ZINC000599429570 349187476 /nfs/dbraw/zinc/18/74/76/349187476.db2.gz WGHOPNYOGHGEEB-VHSXEESVSA-N 0 3 233.308 0.003 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)CC1(CO)CC1 ZINC000599381862 349163140 /nfs/dbraw/zinc/16/31/40/349163140.db2.gz CZFAGSFSLZECDX-SNVBAGLBSA-N 0 3 245.319 0.005 20 0 BCADHN COC(=O)CCCCN1CC[C@@H](CO)[C@H](O)C1 ZINC000599385308 349164549 /nfs/dbraw/zinc/16/45/49/349164549.db2.gz CVTBLQUNPVRHGB-WDEREUQCSA-N 0 3 245.319 0.005 20 0 BCADHN COC(=O)CCCCN1CC[C@H](CO)[C@H](O)C1 ZINC000599385305 349164641 /nfs/dbraw/zinc/16/46/41/349164641.db2.gz CVTBLQUNPVRHGB-GHMZBOCLSA-N 0 3 245.319 0.005 20 0 BCADHN COC(=O)CCCCN1CCc2nn[nH]c2C1 ZINC000599386295 349168007 /nfs/dbraw/zinc/16/80/07/349168007.db2.gz MIHOJWOWUIOZOQ-UHFFFAOYSA-N 0 3 238.291 0.506 20 0 BCADHN COC(=O)CCCCN1CCc2n[nH]nc2C1 ZINC000599386295 349168009 /nfs/dbraw/zinc/16/80/09/349168009.db2.gz MIHOJWOWUIOZOQ-UHFFFAOYSA-N 0 3 238.291 0.506 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1N[C@H]1CCCNC1=O ZINC000252774972 349214770 /nfs/dbraw/zinc/21/47/70/349214770.db2.gz NJPGLGFFVOJIHA-XHNCKOQMSA-N 0 3 212.293 0.014 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(C[C@@H](O)C(C)C)C1 ZINC000599557831 349216709 /nfs/dbraw/zinc/21/67/09/349216709.db2.gz CCOOPWCSCUGNHO-ZYHUDNBSSA-N 0 3 245.319 0.267 20 0 BCADHN CC[C@@H](O)CN1CC[C@@](OC)(C(=O)OC)C1 ZINC000599558582 349216840 /nfs/dbraw/zinc/21/68/40/349216840.db2.gz LUMUCOXSBVXAND-KOLCDFICSA-N 0 3 231.292 0.021 20 0 BCADHN CC[C@@H](CN1CC[C@](OC)(C(=O)OC)C1)OC ZINC000599559202 349217204 /nfs/dbraw/zinc/21/72/04/349217204.db2.gz UAYFIFONKMYYPM-CMPLNLGQSA-N 0 3 245.319 0.675 20 0 BCADHN Cc1[nH]nc(C(=O)N2CCN[C@H](C)[C@H]2C)c1C ZINC000277443671 179816112 /nfs/dbraw/zinc/81/61/12/179816112.db2.gz FGAXVIMWXAKZKR-NXEZZACHSA-N 0 3 236.319 0.849 20 0 BCADHN COCCCCN1CC[C@@](OC)(C(=O)OC)C1 ZINC000599563502 349219099 /nfs/dbraw/zinc/21/90/99/349219099.db2.gz IASZBDJXKITUBD-LBPRGKRZSA-N 0 3 245.319 0.677 20 0 BCADHN O[C@@H]1CC[C@@H]2CN(Cc3ccno3)C[C@H]12 ZINC000252884599 349221121 /nfs/dbraw/zinc/22/11/21/349221121.db2.gz WSUYGKHWOYVBCM-DVVUODLYSA-N 0 3 208.261 0.877 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)CC1(C)COC1 ZINC000599572429 349224394 /nfs/dbraw/zinc/22/43/94/349224394.db2.gz AGAICHWEWVGSAK-SNVBAGLBSA-N 0 3 245.319 0.269 20 0 BCADHN C[C@@H](CO)CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599633165 349236881 /nfs/dbraw/zinc/23/68/81/349236881.db2.gz COISTWQJLSAQBZ-YYHMBLRTSA-N 0 3 231.361 0.600 20 0 BCADHN CCOC(=O)C[C@H](O)CN(CC)CCSC ZINC000599451941 349198111 /nfs/dbraw/zinc/19/81/11/349198111.db2.gz KHSWBORTMFUVQU-JTQLQIEISA-N 0 3 249.376 0.985 20 0 BCADHN CC(C)N1CCN(C[C@H](C)CO)CC1 ZINC000120550079 490236731 /nfs/dbraw/zinc/23/67/31/490236731.db2.gz RRVIOKPUFUGRPV-NSHDSACASA-N 0 3 200.326 0.641 20 0 BCADHN CC[C@@H](C)N1CCN(CCCO)CC1 ZINC000055068835 349201995 /nfs/dbraw/zinc/20/19/95/349201995.db2.gz JYKVGAMGENKSIM-LLVKDONJSA-N 0 3 200.326 0.785 20 0 BCADHN C[C@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)CO1 ZINC000402064098 349288806 /nfs/dbraw/zinc/28/88/06/349288806.db2.gz GKEQPDCRERSAIO-XHNCKOQMSA-N 0 3 214.309 0.653 20 0 BCADHN COC(=O)C1C[C@H](C)N(CCO)[C@@H](C)C1 ZINC000599689718 349245241 /nfs/dbraw/zinc/24/52/41/349245241.db2.gz UAWSLNHGWWTLMG-IUCAKERBSA-N 0 3 215.293 0.641 20 0 BCADHN CSCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000308965817 349259735 /nfs/dbraw/zinc/25/97/35/349259735.db2.gz VMSDDHUNEIVPAZ-SECBINFHSA-N 0 3 216.350 0.806 20 0 BCADHN CN(C)CCSC[C@H]1CNC(=O)O1 ZINC000388613815 349260530 /nfs/dbraw/zinc/26/05/30/349260530.db2.gz CIEYXFMCZWEWKD-SSDOTTSWSA-N 0 3 204.295 0.390 20 0 BCADHN CCc1nc(C(=O)N2CCCNCC2)no1 ZINC000623053464 349285388 /nfs/dbraw/zinc/28/53/88/349285388.db2.gz GTWGPXBTVNDSTC-UHFFFAOYSA-N 0 3 224.264 0.068 20 0 BCADHN CCN(C)C[C@H](O)CSc1nnc(N)s1 ZINC000309008020 349285803 /nfs/dbraw/zinc/28/58/03/349285803.db2.gz NUZISSCULOGPRW-LURJTMIESA-N 0 3 248.377 0.525 20 0 BCADHN CSC1CCN(C[C@@H]2CNCCO2)CC1 ZINC000300806255 349333787 /nfs/dbraw/zinc/33/37/87/349333787.db2.gz GJCHBBFDOQEMTD-JTQLQIEISA-N 0 3 230.377 0.802 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)Nc1ccccn1 ZINC000623057909 349358141 /nfs/dbraw/zinc/35/81/41/349358141.db2.gz KMGRCVZKXDOZKH-VIFPVBQESA-N 0 3 236.275 0.192 20 0 BCADHN CSCC[C@@H](N)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000601972697 349409248 /nfs/dbraw/zinc/40/92/48/349409248.db2.gz NISGVSUGFUGNRB-KXUCPTDWSA-N 0 3 244.360 0.172 20 0 BCADHN CC[C@H](C(=O)OC)N1C[C@@H]2COC[C@@H]2C1 ZINC000601973739 349409437 /nfs/dbraw/zinc/40/94/37/349409437.db2.gz NIUWOUKQGBSHAP-KXUCPTDWSA-N 0 3 213.277 0.516 20 0 BCADHN CO[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC000395381043 323224990 /nfs/dbraw/zinc/22/49/90/323224990.db2.gz RJXRZZNAZAJWAQ-GMTAPVOTSA-N 0 3 215.293 0.247 20 0 BCADHN COC[C@@H](O)CN1CCC[C@@H](n2ccnc2)C1 ZINC000601835843 349362812 /nfs/dbraw/zinc/36/28/12/349362812.db2.gz DTKSFXHTVPCBBZ-NEPJUHHUSA-N 0 3 239.319 0.527 20 0 BCADHN COCCN(C)CCNc1cccnn1 ZINC000061379488 349367700 /nfs/dbraw/zinc/36/77/00/349367700.db2.gz LJABVACHGJBQHM-UHFFFAOYSA-N 0 3 210.281 0.467 20 0 BCADHN Cc1cnc(C(=O)N2C[C@H](C)NC[C@H]2C)o1 ZINC000623059065 349382535 /nfs/dbraw/zinc/38/25/35/349382535.db2.gz PQIIBCHRLMUZFF-JGVFFNPUSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1nnc(C(=O)N2C[C@H](C)NC[C@H]2C)s1 ZINC000623059243 349382883 /nfs/dbraw/zinc/38/28/83/349382883.db2.gz UROPOYRMCCSOMS-NKWVEPMBSA-N 0 3 240.332 0.669 20 0 BCADHN COC(=O)CCN(C)[C@H]1CCCCN(C)C1=O ZINC000601972470 349408529 /nfs/dbraw/zinc/40/85/29/349408529.db2.gz ZYDYYTJFWZVQIV-JTQLQIEISA-N 0 3 242.319 0.492 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1cccc(N)n1 ZINC000061656001 349384377 /nfs/dbraw/zinc/38/43/77/349384377.db2.gz GVDYASCNOYCRBK-JTQLQIEISA-N 0 3 248.330 0.830 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1ccnnc1 ZINC000151514405 538040973 /nfs/dbraw/zinc/04/09/73/538040973.db2.gz PGPNKUIUSWUWNJ-UHFFFAOYSA-N 0 3 234.303 0.644 20 0 BCADHN NC[C@@H](NC(=O)C(=O)c1ccc[nH]1)C1CC1 ZINC000623059590 349386032 /nfs/dbraw/zinc/38/60/32/349386032.db2.gz ZEMSEPCKCLLYIT-SECBINFHSA-N 0 3 221.260 0.051 20 0 BCADHN COC(=O)c1cc(C)n(CCN(C)C)n1 ZINC000601932806 349386095 /nfs/dbraw/zinc/38/60/95/349386095.db2.gz NTBSPBRXCSDBDX-UHFFFAOYSA-N 0 3 211.265 0.540 20 0 BCADHN COC(=O)c1ccc(CNCC[C@@H](C)O)n1C ZINC000602011909 349423260 /nfs/dbraw/zinc/42/32/60/349423260.db2.gz OMVXDJQZIALFRW-SECBINFHSA-N 0 3 240.303 0.672 20 0 BCADHN COC[C@@H](CN1CCSCC1)OC ZINC000659843173 490269281 /nfs/dbraw/zinc/26/92/81/490269281.db2.gz MMUAYTKGAALVDW-SECBINFHSA-N 0 3 205.323 0.697 20 0 BCADHN COCCNCc1ccc(C(=O)OC)n1C ZINC000601997149 349416286 /nfs/dbraw/zinc/41/62/86/349416286.db2.gz LSAXERKWFGRAEI-UHFFFAOYSA-N 0 3 226.276 0.548 20 0 BCADHN COC(=O)c1ccc(CNC[C@H](C)O)n1C ZINC000602015784 349417379 /nfs/dbraw/zinc/41/73/79/349417379.db2.gz QCIIHSLTLVIVHM-QMMMGPOBSA-N 0 3 226.276 0.282 20 0 BCADHN COC(=O)c1ccc(CNCC[C@H](C)O)n1C ZINC000602017539 349418061 /nfs/dbraw/zinc/41/80/61/349418061.db2.gz OMVXDJQZIALFRW-VIFPVBQESA-N 0 3 240.303 0.672 20 0 BCADHN CNC(=O)N[C@H]1CCN([C@H](C)CCOC)C1 ZINC000342337157 538046824 /nfs/dbraw/zinc/04/68/24/538046824.db2.gz KONOJUFRVKTYAL-ZJUUUORDSA-N 0 3 229.324 0.415 20 0 BCADHN CCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000603816264 350038504 /nfs/dbraw/zinc/03/85/04/350038504.db2.gz PGFGDQDGMAYGSO-CQSZACIVSA-N 0 3 248.326 0.760 20 0 BCADHN COC[C@@H](O)CNCCC(F)(F)F ZINC000070650780 350039491 /nfs/dbraw/zinc/03/94/91/350039491.db2.gz IAUNCNVRGZSHQB-LURJTMIESA-N 0 3 201.188 0.536 20 0 BCADHN Cc1ccc(O)c(CN2CC[C@H](O)C2)n1 ZINC000128153416 191008535 /nfs/dbraw/zinc/00/85/35/191008535.db2.gz OZVUXIIBROFZCH-VIFPVBQESA-N 0 3 208.261 0.662 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000128153416 191008538 /nfs/dbraw/zinc/00/85/38/191008538.db2.gz OZVUXIIBROFZCH-VIFPVBQESA-N 0 3 208.261 0.662 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](O)C2)n1 ZINC000128153416 191008540 /nfs/dbraw/zinc/00/85/40/191008540.db2.gz OZVUXIIBROFZCH-VIFPVBQESA-N 0 3 208.261 0.662 20 0 BCADHN COC(=O)[C@@](C)(O)CN1C[C@@H](C)S[C@@H](C)C1 ZINC000070714855 350051989 /nfs/dbraw/zinc/05/19/89/350051989.db2.gz KRVZWJOXMWKBRT-NGZCFLSTSA-N 0 3 247.360 0.736 20 0 BCADHN Cn1nncc1CNCC1(O)CCCCC1 ZINC000129739261 191008908 /nfs/dbraw/zinc/00/89/08/191008908.db2.gz FJNQTFLESUSKSV-UHFFFAOYSA-N 0 3 224.308 0.600 20 0 BCADHN Cn1nncc1CNC[C@H]1CCCC[C@@H]1O ZINC000129779646 191009130 /nfs/dbraw/zinc/00/91/30/191009130.db2.gz QZJPONOJDAZIEI-KOLCDFICSA-N 0 3 224.308 0.456 20 0 BCADHN CC[C@@H](N)C(=O)NCc1scnc1C ZINC000070837703 350067613 /nfs/dbraw/zinc/06/76/13/350067613.db2.gz OZDKFASZYHDMRV-SSDOTTSWSA-N 0 3 213.306 0.805 20 0 BCADHN CN1CCC(NC(=O)C23CC(C2)C3)CC1 ZINC000623529126 362948306 /nfs/dbraw/zinc/94/83/06/362948306.db2.gz WKLXNSGMSFXQSF-UHFFFAOYSA-N 0 3 208.305 0.997 20 0 BCADHN CCNC(=O)CCC(=O)NCCN1CCCC1 ZINC000604019010 350069712 /nfs/dbraw/zinc/06/97/12/350069712.db2.gz NXNLPAAGWFWHDO-UHFFFAOYSA-N 0 3 241.335 0.115 20 0 BCADHN COc1nc(C(=O)NC2CCN(C)CC2)co1 ZINC000623529065 362948355 /nfs/dbraw/zinc/94/83/55/362948355.db2.gz SOZOIEOOBJZQRV-UHFFFAOYSA-N 0 3 239.275 0.507 20 0 BCADHN CCCS(=O)(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000390807571 350106830 /nfs/dbraw/zinc/10/68/30/350106830.db2.gz MRRWFMMIPCZUDI-VHSXEESVSA-N 0 3 234.365 0.751 20 0 BCADHN CCC[C@H](O)CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000604178854 350085026 /nfs/dbraw/zinc/08/50/26/350085026.db2.gz HULYURFRMSMEED-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN CSCCC(=O)N[C@@H]1CCCN(C)C1 ZINC000604199746 350087137 /nfs/dbraw/zinc/08/71/37/350087137.db2.gz UPLKLSALXBSAEU-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN Cc1[nH]c(=O)ccc1C(=O)NC[C@H](C)N(C)C ZINC000269687844 180026508 /nfs/dbraw/zinc/02/65/08/180026508.db2.gz NVPBXBIMILSYFX-QMMMGPOBSA-N 0 3 237.303 0.776 20 0 BCADHN Cc1nnc([C@@H]2CCCN(C(=O)[C@H](C)N)C2)[nH]1 ZINC000353209085 180043133 /nfs/dbraw/zinc/04/31/33/180043133.db2.gz VNVDVFDFBAWBBF-IONNQARKSA-N 0 3 237.307 0.166 20 0 BCADHN COC[C@H](O)CN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000219275604 350119584 /nfs/dbraw/zinc/11/95/84/350119584.db2.gz IMKMDUVZXHDILX-GARJFASQSA-N 0 3 216.325 0.018 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000219274750 350119766 /nfs/dbraw/zinc/11/97/66/350119766.db2.gz HIKOTAUNTZHWSQ-FRRDWIJNSA-N 0 3 244.379 0.797 20 0 BCADHN Cc1nnc([C@H]2CCCN([C@H]3CCNC3=O)C2)[nH]1 ZINC000269259809 180055978 /nfs/dbraw/zinc/05/59/78/180055978.db2.gz CWDZWUHTFCVJBW-UWVGGRQHSA-N 0 3 249.318 0.181 20 0 BCADHN Cc1nnc([C@H]2CCCN(C(=O)C3C[NH2+]C3)C2)[n-]1 ZINC000342155904 180056091 /nfs/dbraw/zinc/05/60/91/180056091.db2.gz JLPCGKUDHKJJTG-VIFPVBQESA-N 0 3 249.318 0.039 20 0 BCADHN C(CN1CCCC1)Nc1nnc(C2CC2)o1 ZINC000328606076 538057043 /nfs/dbraw/zinc/05/70/43/538057043.db2.gz KBVXUCMNAGFORT-UHFFFAOYSA-N 0 3 222.292 1.455 20 0 BCADHN Cc1nc2ccc(N3CC(N(C)C)C3)nn2n1 ZINC000283705479 180093156 /nfs/dbraw/zinc/09/31/56/180093156.db2.gz DALRCDXYZVNEFJ-UHFFFAOYSA-N 0 3 232.291 0.183 20 0 BCADHN NC(=O)COc1ccc2c(c1)OCCNC2 ZINC000304587197 350157641 /nfs/dbraw/zinc/15/76/41/350157641.db2.gz OYJPJTQKJHRSPB-UHFFFAOYSA-N 0 3 222.244 0.033 20 0 BCADHN CC[C@](C)(NCc1ccc(C(N)=O)cc1)C(N)=O ZINC000133798260 191042267 /nfs/dbraw/zinc/04/22/67/191042267.db2.gz SIKGJTCJTGBSQN-ZDUSSCGKSA-N 0 3 249.314 0.529 20 0 BCADHN CC[C@@](C)(NCCOC(C)C)C(N)=O ZINC000133727207 191043034 /nfs/dbraw/zinc/04/30/34/191043034.db2.gz ROLFZURUYKFIEH-SNVBAGLBSA-N 0 3 202.298 0.655 20 0 BCADHN Cc1cc(C(=O)N2CCNCC2(C)C)n(C)n1 ZINC000090121951 490353473 /nfs/dbraw/zinc/35/34/73/490353473.db2.gz ORJFZJGOMAMRRE-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN c1cc(CNC[C@@H]2COCCN2)ccn1 ZINC000220237335 350167437 /nfs/dbraw/zinc/16/74/37/350167437.db2.gz BXQXLSINCVBNLV-LLVKDONJSA-N 0 3 207.277 0.160 20 0 BCADHN O=C(c1nccn2ccnc12)N1CCCNCC1 ZINC000428414205 191046996 /nfs/dbraw/zinc/04/69/96/191046996.db2.gz OKNXWQHUWJLUAD-UHFFFAOYSA-N 0 3 245.286 0.165 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCC[C@@]1(C)CO ZINC000427006352 191050531 /nfs/dbraw/zinc/05/05/31/191050531.db2.gz CEDCOGFDUUMBTP-YPMHNXCESA-N 0 3 242.363 0.996 20 0 BCADHN O=C(NCCN1CCC1)[C@@H]1CCCN1C1CC1 ZINC000426980389 191050560 /nfs/dbraw/zinc/05/05/60/191050560.db2.gz KMRLAVXEMIZCCE-LBPRGKRZSA-N 0 3 237.347 0.435 20 0 BCADHN Cc1ncc(CN2CC[C@@H](C(N)=O)C2)s1 ZINC000098133162 180142815 /nfs/dbraw/zinc/14/28/15/180142815.db2.gz KQPHARIVOMVTFP-MRVPVSSYSA-N 0 3 225.317 0.759 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)CCCC(N)=O ZINC000427213913 191056441 /nfs/dbraw/zinc/05/64/41/191056441.db2.gz VAMLOZPNXDJBEF-UHFFFAOYSA-N 0 3 241.335 0.195 20 0 BCADHN CN(CCCCO)C(=O)[C@H]1CCCN1C1CC1 ZINC000427238347 191057891 /nfs/dbraw/zinc/05/78/91/191057891.db2.gz IPYSADZDEGNPLL-GFCCVEGCSA-N 0 3 240.347 0.844 20 0 BCADHN CNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000604630838 350169101 /nfs/dbraw/zinc/16/91/01/350169101.db2.gz ZCCQAVNCNULYKG-LLVKDONJSA-N 0 3 240.351 0.038 20 0 BCADHN CNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000604630839 350169131 /nfs/dbraw/zinc/16/91/31/350169131.db2.gz ZCCQAVNCNULYKG-NSHDSACASA-N 0 3 240.351 0.038 20 0 BCADHN Cc1nc(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)c[nH]1 ZINC000362255383 180126416 /nfs/dbraw/zinc/12/64/16/180126416.db2.gz GZYFGKVXFJCEBU-CMPLNLGQSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1ncc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)[nH]1 ZINC000336312914 180127370 /nfs/dbraw/zinc/12/73/70/180127370.db2.gz BPVJMVMGCKQTKR-AOOOYVTPSA-N 0 3 234.303 0.685 20 0 BCADHN Cc1ncc(CNC[C@H](CO)C2CC2)cn1 ZINC000309725596 180152825 /nfs/dbraw/zinc/15/28/25/180152825.db2.gz XUMUDOBZFBPBOR-GFCCVEGCSA-N 0 3 221.304 0.893 20 0 BCADHN Cc1ncc(CNC[C@H]2CCOC2)cn1 ZINC000309098132 180152940 /nfs/dbraw/zinc/15/29/40/180152940.db2.gz FQVITMXDBRIDOE-SNVBAGLBSA-N 0 3 207.277 0.911 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-]C[C@@H](C)C[NH3+])s1 ZINC000336758290 180171411 /nfs/dbraw/zinc/17/14/11/180171411.db2.gz ZNGBAMGNHCMUIB-LURJTMIESA-N 0 3 249.361 0.325 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-][C@H](C)CC[NH3+])s1 ZINC000308876615 180172020 /nfs/dbraw/zinc/17/20/20/180172020.db2.gz DDGJPJVBGDCELI-ZCFIWIBFSA-N 0 3 249.361 0.467 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@H](CO)C1 ZINC000048581808 191070059 /nfs/dbraw/zinc/07/00/59/191070059.db2.gz LITRMMFSGWCLEA-ZJUUUORDSA-N 0 3 226.320 0.358 20 0 BCADHN CCNC(=O)NC(=O)CN(C)C1CCCC1 ZINC000048391317 191070594 /nfs/dbraw/zinc/07/05/94/191070594.db2.gz IFLCJBDDNXXVAD-UHFFFAOYSA-N 0 3 227.308 0.707 20 0 BCADHN Cc1ncc(CNC2(CO)CCC2)cn1 ZINC000336722455 180149355 /nfs/dbraw/zinc/14/93/55/180149355.db2.gz DZTRHWZFZFQJKZ-UHFFFAOYSA-N 0 3 207.277 0.790 20 0 BCADHN Cc1ncc(CNC(=O)[C@H]2C[C@H](F)CN2)s1 ZINC000275543551 180150441 /nfs/dbraw/zinc/15/04/41/180150441.db2.gz QRPPGPPQSWCBGP-IONNQARKSA-N 0 3 243.307 0.768 20 0 BCADHN CNS(=O)(=O)CCN1CCC[C@H](C)[C@H]1C ZINC000621259153 350208478 /nfs/dbraw/zinc/20/84/78/350208478.db2.gz MMXGNJWCBSXEOQ-VHSXEESVSA-N 0 3 234.365 0.656 20 0 BCADHN Cc1nccc(CNC(=O)[C@H]2CCCCN2)n1 ZINC000038038098 180188393 /nfs/dbraw/zinc/18/83/93/180188393.db2.gz FRJBBNWJFNFCRC-LLVKDONJSA-N 0 3 234.303 0.543 20 0 BCADHN Cc1ncccc1CN[C@@H](C)CC(N)=O ZINC000127461177 180223682 /nfs/dbraw/zinc/22/36/82/180223682.db2.gz XZDGNXNWHUITMU-QMMMGPOBSA-N 0 3 207.277 0.744 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@H](COC)C1 ZINC000352222361 535116397 /nfs/dbraw/zinc/11/63/97/535116397.db2.gz MZLKFASJEBEVEH-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CCC[C@H](CCO)NC(=O)NC[C@H](C)N(C)C ZINC000637195804 350256562 /nfs/dbraw/zinc/25/65/62/350256562.db2.gz GXTSHUDTUADNNZ-WDEREUQCSA-N 0 3 245.367 0.787 20 0 BCADHN Cc1nccn1CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000275554131 180260041 /nfs/dbraw/zinc/26/00/41/180260041.db2.gz UBLADESKBDQRBT-VHSXEESVSA-N 0 3 240.282 0.008 20 0 BCADHN Cc1nccn1CCN(C)C1CC(O)C1 ZINC000353491124 180246840 /nfs/dbraw/zinc/24/68/40/180246840.db2.gz MBTGOZOVKZPEFF-UHFFFAOYSA-N 0 3 209.293 0.647 20 0 BCADHN Cc1nccn1CCN1CCC[C@H](O)C1 ZINC000050103563 180251126 /nfs/dbraw/zinc/25/11/26/180251126.db2.gz SCXYXPOKETVFQT-NSHDSACASA-N 0 3 209.293 0.648 20 0 BCADHN Cc1nccn1CCNC(=O)[C@H]1CCCN1C ZINC000299528077 180258051 /nfs/dbraw/zinc/25/80/51/180258051.db2.gz QFEZRDPJTRTRAE-LLVKDONJSA-N 0 3 236.319 0.402 20 0 BCADHN Cc1nccn1CCNC(=O)[C@@H]1CCCCN1 ZINC000261544351 180259010 /nfs/dbraw/zinc/25/90/10/180259010.db2.gz DTRMKMPOJUJPAA-NSHDSACASA-N 0 3 236.319 0.450 20 0 BCADHN Cc1nccn1CCCNC(=O)C1(N)CC1 ZINC000353445464 180245113 /nfs/dbraw/zinc/24/51/13/180245113.db2.gz WZYFWXZADKHMKQ-UHFFFAOYSA-N 0 3 222.292 0.189 20 0 BCADHN Cc1nccn1C[C@@H](C)CNCc1cnnn1C ZINC000267546639 180264732 /nfs/dbraw/zinc/26/47/32/180264732.db2.gz ZTGMQUBRXKQOII-JTQLQIEISA-N 0 3 248.334 0.746 20 0 BCADHN Cc1nccn1C[C@H](C)CNC(=O)CN(C)C ZINC000263867387 180265048 /nfs/dbraw/zinc/26/50/48/180265048.db2.gz GWCHPJPKOZKONF-SNVBAGLBSA-N 0 3 238.335 0.505 20 0 BCADHN Cc1nccn1C[C@H](C)CNCc1cnn(C)n1 ZINC000293449943 180265691 /nfs/dbraw/zinc/26/56/91/180265691.db2.gz CLOAUNALYKQCBR-SNVBAGLBSA-N 0 3 248.334 0.746 20 0 BCADHN O=C(N[C@@H](CO)CN1CCCC1)c1ccoc1 ZINC000673533345 538083818 /nfs/dbraw/zinc/08/38/18/538083818.db2.gz YZBBTDDURVWZOS-LLVKDONJSA-N 0 3 238.287 0.466 20 0 BCADHN C[C@H](CNc1ncnc2c1cnn2C)N(C)C ZINC000037985915 350295699 /nfs/dbraw/zinc/29/56/99/350295699.db2.gz FXWOLAVGHUIXHY-MRVPVSSYSA-N 0 3 234.307 0.725 20 0 BCADHN COCc1cccc(CNC[C@H](O)CO)c1 ZINC000038010849 350296567 /nfs/dbraw/zinc/29/65/67/350296567.db2.gz DZVBQNXHUZZBRE-LBPRGKRZSA-N 0 3 225.288 0.276 20 0 BCADHN COC[C@H](O)CN1CCN(C(C)C)CC1 ZINC000068891056 350299537 /nfs/dbraw/zinc/29/95/37/350299537.db2.gz QGIIORHZIRAFRH-LLVKDONJSA-N 0 3 216.325 0.020 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@H](CO)[C@H]1C ZINC000427840328 191094992 /nfs/dbraw/zinc/09/49/92/191094992.db2.gz WFRCFVIEEFTGHS-GHMZBOCLSA-N 0 3 228.336 0.556 20 0 BCADHN CC(C)OCCCN[C@H]1CCCS(=O)(=O)C1 ZINC000068939658 350313041 /nfs/dbraw/zinc/31/30/41/350313041.db2.gz ZNBHSISAUNOZAF-NSHDSACASA-N 0 3 249.376 0.968 20 0 BCADHN C[C@H](N[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCCO1 ZINC000068939684 350313088 /nfs/dbraw/zinc/31/30/88/350313088.db2.gz JBGMEBNJWAIDBI-AXFHLTTASA-N 0 3 247.360 0.721 20 0 BCADHN CN(CCNCc1cn[nH]c1)CC(F)F ZINC000623830978 350318656 /nfs/dbraw/zinc/31/86/56/350318656.db2.gz MFMHUQLLSSAZMA-UHFFFAOYSA-N 0 3 218.251 0.696 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000050456882 350342332 /nfs/dbraw/zinc/34/23/32/350342332.db2.gz IGWNPAMRPLWOTR-QWHCGFSZSA-N 0 3 245.326 0.682 20 0 BCADHN Cc1ncoc1C(=O)N[C@@H](C)CN(C)C ZINC000346185444 180298944 /nfs/dbraw/zinc/29/89/44/180298944.db2.gz DLSZEQGTCZAYOJ-ZETCQYMHSA-N 0 3 211.265 0.663 20 0 BCADHN Cc1ncoc1C(=O)NC[C@H](C)N(C)C ZINC000353964810 180299486 /nfs/dbraw/zinc/29/94/86/180299486.db2.gz AXENOPKOPOGQTR-ZETCQYMHSA-N 0 3 211.265 0.663 20 0 BCADHN Cc1ncsc1CCN(C)CCC(N)=O ZINC000353173787 180306397 /nfs/dbraw/zinc/30/63/97/180306397.db2.gz PIIGXEMOFGZRQN-UHFFFAOYSA-N 0 3 227.333 0.801 20 0 BCADHN Cc1ncsc1CCN(CCO)CCO ZINC000050285545 180307379 /nfs/dbraw/zinc/30/73/79/180307379.db2.gz YLWNAQADPBPXBT-UHFFFAOYSA-N 0 3 230.333 0.281 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1Cc2ccccc2C1 ZINC000050909833 350405716 /nfs/dbraw/zinc/40/57/16/350405716.db2.gz OMURZENSGLBKJA-WDEREUQCSA-N 0 3 202.257 0.876 20 0 BCADHN Cc1nn(C)c(C)c1C(=O)NCCN(C)C ZINC000069185140 180333963 /nfs/dbraw/zinc/33/39/63/180333963.db2.gz QZJKVPJOQHRQDU-UHFFFAOYSA-N 0 3 224.308 0.328 20 0 BCADHN C[C@H]1C[C@H](NC(=O)NC(C)(C)CN(C)C)CO1 ZINC000563954804 323334593 /nfs/dbraw/zinc/33/45/93/323334593.db2.gz RSVVUYQKZPVPDU-UWVGGRQHSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CN(C)C)CO1 ZINC000563954803 323334671 /nfs/dbraw/zinc/33/46/71/323334671.db2.gz RSVVUYQKZPVPDU-NXEZZACHSA-N 0 3 243.351 0.803 20 0 BCADHN CCCNC(=O)[C@H](C)N1CCC[C@@H](CCO)C1 ZINC000226001477 350394627 /nfs/dbraw/zinc/39/46/27/350394627.db2.gz VERHKZOZXFRGGW-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1ncsc1CNC[C@]1(O)CCOC1 ZINC000126201445 180321996 /nfs/dbraw/zinc/32/19/96/180321996.db2.gz GKIZHKMKFFIDAR-SNVBAGLBSA-N 0 3 228.317 0.693 20 0 BCADHN CN(C)CCOCCNC(=O)NC(C)(C)C ZINC000226115999 350401406 /nfs/dbraw/zinc/40/14/06/350401406.db2.gz PYTZAIVMFUFZQR-UHFFFAOYSA-N 0 3 231.340 0.662 20 0 BCADHN C[C@@H](NC(=O)N[C@H]1CCCN(C)C1)C(C)(C)O ZINC000606650318 350403548 /nfs/dbraw/zinc/40/35/48/350403548.db2.gz IJZPDEOUUSRXHX-ZJUUUORDSA-N 0 3 243.351 0.539 20 0 BCADHN CC[C@@H]1CCCN(CCS(=O)(=O)N(C)C)C1 ZINC000336669078 350433317 /nfs/dbraw/zinc/43/33/17/350433317.db2.gz REMCKDCTTWGKRO-LLVKDONJSA-N 0 3 248.392 1.000 20 0 BCADHN CC[C@@H]1CCCN1CCNS(C)(=O)=O ZINC000336675938 350437511 /nfs/dbraw/zinc/43/75/11/350437511.db2.gz WVALICYRWZBUOA-SECBINFHSA-N 0 3 220.338 0.410 20 0 BCADHN COC1CC(NCC(=O)NCc2ccco2)C1 ZINC000347214720 133813226 /nfs/dbraw/zinc/81/32/26/133813226.db2.gz INSKPFJAJXBVDS-UHFFFAOYSA-N 0 3 238.287 0.663 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)CC(F)(F)CN)CCN1C ZINC000563968686 323335615 /nfs/dbraw/zinc/33/56/15/323335615.db2.gz NLUBNVULLMMQND-BDAKNGLRSA-N 0 3 249.305 0.569 20 0 BCADHN Cc1nn(C)c(C)c1CNC[C@@H](O)C1CC1 ZINC000070881448 180339677 /nfs/dbraw/zinc/33/96/77/180339677.db2.gz FZIBECPFHDECBI-GFCCVEGCSA-N 0 3 223.320 0.897 20 0 BCADHN Cc1nn(C)c(C)c1CNCCCOCCO ZINC000227332671 180340093 /nfs/dbraw/zinc/34/00/93/180340093.db2.gz CMTRVQBVSVAATB-UHFFFAOYSA-N 0 3 241.335 0.526 20 0 BCADHN Cc1nn(C)c(C)c1CNCC[C@H](C)O ZINC000078780675 180340339 /nfs/dbraw/zinc/34/03/39/180340339.db2.gz RAEYJEULSWAMFK-QMMMGPOBSA-N 0 3 211.309 0.897 20 0 BCADHN Cc1nn(C)c(C)c1CNC[C@@H]1COCCO1 ZINC000037998144 180341093 /nfs/dbraw/zinc/34/10/93/180341093.db2.gz WMRURECWIIJKKQ-LLVKDONJSA-N 0 3 239.319 0.542 20 0 BCADHN CN(C)CCNC(=O)NCC[C@@H]1CCCOC1 ZINC000637318039 350446121 /nfs/dbraw/zinc/44/61/21/350446121.db2.gz GXYCCXOEBCSUSW-NSHDSACASA-N 0 3 243.351 0.664 20 0 BCADHN Cc1nn(C)c2c1N(C(=O)[C@@H](C)N)CCS2 ZINC000368498586 180362375 /nfs/dbraw/zinc/36/23/75/180362375.db2.gz IYUYIBPAWRJCOT-ZCFIWIBFSA-N 0 3 240.332 0.514 20 0 BCADHN Cc1nn(C)c2ncc(CN[C@@H](C)CO)cc12 ZINC000107912343 180365193 /nfs/dbraw/zinc/36/51/93/180365193.db2.gz ZILLNDCPOQIOLC-QMMMGPOBSA-N 0 3 234.303 0.747 20 0 BCADHN Cc1nn(C)cc1C(=O)NC[C@H](C)N(C)C ZINC000264850872 180369372 /nfs/dbraw/zinc/36/93/72/180369372.db2.gz BXVANBAASROHGB-QMMMGPOBSA-N 0 3 224.308 0.408 20 0 BCADHN Cc1nn(C)cc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000227355701 180369401 /nfs/dbraw/zinc/36/94/01/180369401.db2.gz ATGSGZKYPHBYIG-IUCAKERBSA-N 0 3 236.319 0.551 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NCCn1cncn1 ZINC000358086970 180380127 /nfs/dbraw/zinc/38/01/27/180380127.db2.gz WZOHLQUYPQMGSH-SECBINFHSA-N 0 3 234.307 0.671 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NCCc1ncn(C)n1 ZINC000127882737 180380696 /nfs/dbraw/zinc/38/06/96/180380696.db2.gz PKVSQWVNQZQRNM-VIFPVBQESA-N 0 3 248.334 0.750 20 0 BCADHN CC1(C)CN(C[C@H]2CCCOC2)C[C@@H](CO)O1 ZINC000336725115 350481023 /nfs/dbraw/zinc/48/10/23/350481023.db2.gz OBTHPSNTMJMMCI-NEPJUHHUSA-N 0 3 243.347 0.885 20 0 BCADHN Cc1nn(C)cc1[C@H](C)N[C@H](C)CC(N)=O ZINC000129353649 180382547 /nfs/dbraw/zinc/38/25/47/180382547.db2.gz OIXZYNRQHWTNLS-SFYZADRCSA-N 0 3 224.308 0.643 20 0 BCADHN CCN1CCC(N(C)S(C)(=O)=O)CC1 ZINC000070226077 350513203 /nfs/dbraw/zinc/51/32/03/350513203.db2.gz PNZZXVUGQXEXKB-UHFFFAOYSA-N 0 3 220.338 0.362 20 0 BCADHN CCOC[C@H](NC(=O)[C@@H](CN)OC)C(C)C ZINC000227417973 350495011 /nfs/dbraw/zinc/49/50/11/350495011.db2.gz GEFWSFPEFRQQJE-VHSXEESVSA-N 0 3 232.324 0.137 20 0 BCADHN COc1cncc(CN[C@@H](C)CC(N)=O)c1C ZINC000631093512 350500789 /nfs/dbraw/zinc/50/07/89/350500789.db2.gz KOEQULWIDKLVFQ-QMMMGPOBSA-N 0 3 237.303 0.752 20 0 BCADHN O=S1(=O)CCC[C@H](N[C@@H]2CC23CC3)C1 ZINC000335277514 538094339 /nfs/dbraw/zinc/09/43/39/538094339.db2.gz IWAZPRDKYQZAAL-DTWKUNHWSA-N 0 3 215.318 0.706 20 0 BCADHN CSCC[C@@H](N)C(=O)NC[C@H]1CCCOC1 ZINC000163594916 350531304 /nfs/dbraw/zinc/53/13/04/350531304.db2.gz UOHOGDLFMAUZLP-NXEZZACHSA-N 0 3 246.376 0.610 20 0 BCADHN CC[C@H](O)CN1CCN(CC(C)(C)O)CC1 ZINC000070558114 350536235 /nfs/dbraw/zinc/53/62/35/350536235.db2.gz GAEFMLLSYKLBSR-NSHDSACASA-N 0 3 230.352 0.146 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)[C@H]1CCOC1 ZINC000134273311 191108264 /nfs/dbraw/zinc/10/82/64/191108264.db2.gz PXAOOSBNTGNVIH-IUCAKERBSA-N 0 3 200.282 0.217 20 0 BCADHN C[C@H](O)CNCc1cn(C)nc1C(F)(F)F ZINC000577485080 365965546 /nfs/dbraw/zinc/96/55/46/365965546.db2.gz PLKGKUKGZSMQBP-LURJTMIESA-N 0 3 237.225 0.909 20 0 BCADHN CC[C@@H](N[C@H](C)Cn1cccn1)C(N)=O ZINC000061676941 350525113 /nfs/dbraw/zinc/52/51/13/350525113.db2.gz LTADVZJDVPRFOY-RKDXNWHRSA-N 0 3 210.281 0.125 20 0 BCADHN Cc1cnc(N2C[C@@H](C)N[C@@H](C)C2)nc1 ZINC000063048423 350569266 /nfs/dbraw/zinc/56/92/66/350569266.db2.gz UUZMFGUOIAQLJU-AOOOYVTPSA-N 0 3 206.293 0.972 20 0 BCADHN C[C@H](O)CN(C)C(=O)CC1CCN(C)CC1 ZINC000428675745 191109728 /nfs/dbraw/zinc/10/97/28/191109728.db2.gz ADUHMWKWQSHVRW-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)CNC(=O)CN[C@@H](CO)C(C)(C)C ZINC000336652129 350580052 /nfs/dbraw/zinc/58/00/52/350580052.db2.gz FMMLINIKSQWXHJ-JTQLQIEISA-N 0 3 230.352 0.755 20 0 BCADHN CC[C@@H](O)CCCNC(=O)CN(CC)CC ZINC000337413690 350581794 /nfs/dbraw/zinc/58/17/94/350581794.db2.gz RYEKOKAGMJCONR-LLVKDONJSA-N 0 3 230.352 0.996 20 0 BCADHN CNc1cnc(C(=O)NC[C@@H]2CCN(C)C2)cn1 ZINC000230096822 350594801 /nfs/dbraw/zinc/59/48/01/350594801.db2.gz FXZNPDSDKWLPGB-VIFPVBQESA-N 0 3 249.318 0.200 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)NCCN1CCC1 ZINC000337636020 350600849 /nfs/dbraw/zinc/60/08/49/350600849.db2.gz XYLQFRNJCGIVOD-GFCCVEGCSA-N 0 3 239.363 0.683 20 0 BCADHN CN1CCC[C@H](CNC(=O)C[C@@H]2CCOC2)C1 ZINC000606842835 350616913 /nfs/dbraw/zinc/61/69/13/350616913.db2.gz ACLQAVFFEHZKAF-NWDGAFQWSA-N 0 3 240.347 0.871 20 0 BCADHN CN1CCC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000606842117 350617089 /nfs/dbraw/zinc/61/70/89/350617089.db2.gz ITYAKUAJQPYQOP-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN Cc1nnsc1CNC(=O)NCCN(C)C ZINC000293551016 180456327 /nfs/dbraw/zinc/45/63/27/180456327.db2.gz WRRIDDIRFHBNOA-UHFFFAOYSA-N 0 3 243.336 0.207 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000637511158 350668068 /nfs/dbraw/zinc/66/80/68/350668068.db2.gz SYEDFDRITXIPMT-QWRGUYRKSA-N 0 3 241.335 0.415 20 0 BCADHN CC[C@@H](SC)C(=O)NCCN(C)C ZINC000123624863 350670037 /nfs/dbraw/zinc/67/00/37/350670037.db2.gz TYPXREVCEQVPLH-MRVPVSSYSA-N 0 3 204.339 0.806 20 0 BCADHN CCN(CC)CC(=O)N[C@H](CO)C1CCC1 ZINC000617303757 350711040 /nfs/dbraw/zinc/71/10/40/350711040.db2.gz NNFULJHQCWGBCC-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](CO)C1CCC1)N(C)C ZINC000617308837 350716719 /nfs/dbraw/zinc/71/67/19/350716719.db2.gz URXCSPAVXWOCSN-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cncn1C ZINC000177278301 365990273 /nfs/dbraw/zinc/99/02/73/365990273.db2.gz ULYQCIYVYUSQDM-ZJUUUORDSA-N 0 3 236.319 0.506 20 0 BCADHN COCCN1CCC[C@]2(CNC(=O)C2)C1 ZINC000072830598 350699507 /nfs/dbraw/zinc/69/95/07/350699507.db2.gz PNCXXOHSZVDJBO-NSHDSACASA-N 0 3 212.293 0.235 20 0 BCADHN CCc1nc(CCNC(=O)C2(N)CC2)cs1 ZINC000237039725 350745333 /nfs/dbraw/zinc/74/53/33/350745333.db2.gz DMNIXGYFGHCHGQ-UHFFFAOYSA-N 0 3 239.344 0.856 20 0 BCADHN CN1CCN(CCC(=O)N2CCCCC2)CC1 ZINC000073602780 350757647 /nfs/dbraw/zinc/75/76/47/350757647.db2.gz DFNDXTYKIKSOSF-UHFFFAOYSA-N 0 3 239.363 0.636 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@H](CO)C1CCC1 ZINC000617311630 350721569 /nfs/dbraw/zinc/72/15/69/350721569.db2.gz IKUGHEJWURQOLZ-LLVKDONJSA-N 0 3 237.303 0.538 20 0 BCADHN CS(=O)(=O)N1CCc2ccccc2[C@H]1CN ZINC000159507707 350815316 /nfs/dbraw/zinc/81/53/16/350815316.db2.gz HMCBNZXENMPTHG-LLVKDONJSA-N 0 3 240.328 0.504 20 0 BCADHN NC(=O)[C@@H]1CCCCN1CC[C@@H]1CCCO1 ZINC000188684137 350816677 /nfs/dbraw/zinc/81/66/77/350816677.db2.gz BMDFBVQZGIYBSJ-QWRGUYRKSA-N 0 3 226.320 0.895 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000177541831 366006506 /nfs/dbraw/zinc/00/65/06/366006506.db2.gz MWLWHXIEPQZEBU-LLVKDONJSA-N 0 3 249.314 0.589 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000177541816 366006572 /nfs/dbraw/zinc/00/65/72/366006572.db2.gz MWLWHXIEPQZEBU-NSHDSACASA-N 0 3 249.314 0.589 20 0 BCADHN CC(C)OCCNC(=O)[C@@H](C)NC1CC1 ZINC000382991763 350822904 /nfs/dbraw/zinc/82/29/04/350822904.db2.gz YQXYWGDPEQKXGX-SECBINFHSA-N 0 3 214.309 0.668 20 0 BCADHN Cc1nocc1CNCCN1CCOC[C@H]1C ZINC000339234283 180506637 /nfs/dbraw/zinc/50/66/37/180506637.db2.gz NJUMDCXCOHUVIJ-SNVBAGLBSA-N 0 3 239.319 0.793 20 0 BCADHN Cc1ncc(CNCC2(CC(N)=O)CC2)o1 ZINC000628314609 350836225 /nfs/dbraw/zinc/83/62/25/350836225.db2.gz HCXIVICBWUPTKU-UHFFFAOYSA-N 0 3 223.276 0.728 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CC=C(C)CC1 ZINC000382528981 350856015 /nfs/dbraw/zinc/85/60/15/350856015.db2.gz JBFSQZCZPIHZDY-LLVKDONJSA-N 0 3 227.304 0.953 20 0 BCADHN NCC(F)(F)CC(=O)N1CCN2CCC1CC2 ZINC000571174635 350867336 /nfs/dbraw/zinc/86/73/36/350867336.db2.gz LORQGTYJHOWPIH-UHFFFAOYSA-N 0 3 247.289 0.277 20 0 BCADHN CC[C@@H](O)CN1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000366564485 350905936 /nfs/dbraw/zinc/90/59/36/350905936.db2.gz DFXUZYCZDFPQKQ-TUAOUCFPSA-N 0 3 229.320 0.637 20 0 BCADHN OCCN1CCC[C@H](c2ncccn2)C1 ZINC000616618452 350912039 /nfs/dbraw/zinc/91/20/39/350912039.db2.gz VLTRCTTYNSAZJY-JTQLQIEISA-N 0 3 207.277 0.648 20 0 BCADHN COC[C@H]1CCCN(C(=O)[C@H](N)C(C)C)C1 ZINC000159598039 350920986 /nfs/dbraw/zinc/92/09/86/350920986.db2.gz BJILOFZKZCZKDQ-WDEREUQCSA-N 0 3 228.336 0.855 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2cnc(C)o2)C1 ZINC000628315320 350877447 /nfs/dbraw/zinc/87/74/47/350877447.db2.gz HKDNYPQDLQAIGW-VIFPVBQESA-N 0 3 223.276 0.551 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000052009863 350885697 /nfs/dbraw/zinc/88/56/97/350885697.db2.gz KVKQWQUWOJTANA-CIUDSAMLSA-N 0 3 200.282 0.143 20 0 BCADHN CCN1CCCN(C(=S)NC)CC1 ZINC000306767543 350997654 /nfs/dbraw/zinc/99/76/54/350997654.db2.gz YBSVORXHGBJJET-UHFFFAOYSA-N 0 3 201.339 0.518 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CC[C@@H](SC)C1 ZINC000382922015 351062322 /nfs/dbraw/zinc/06/23/22/351062322.db2.gz CMEJIYGQXCCNFX-NXEZZACHSA-N 0 3 247.360 0.738 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)NCC(F)(F)F)C1 ZINC000122393870 363004766 /nfs/dbraw/zinc/00/47/66/363004766.db2.gz LMLKWPYPDKQTJT-SSDOTTSWSA-N 0 3 239.241 0.894 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC(C(N)=O)CC1 ZINC000052875242 351074296 /nfs/dbraw/zinc/07/42/96/351074296.db2.gz SGFBAWZOOWUCOZ-UHFFFAOYSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@@H]1C[C@H](NCc2cn[nH]n2)C[C@H](C)O1 ZINC000623578407 363011872 /nfs/dbraw/zinc/01/18/72/363011872.db2.gz GVZCDDZHCMZJNX-BRPSZJMVSA-N 0 3 210.281 0.850 20 0 BCADHN Cc1ncc(CN[C@H]2C[C@@H](C(N)=O)C2)o1 ZINC000628324444 351236671 /nfs/dbraw/zinc/23/66/71/351236671.db2.gz UADSYFZTJMZFRP-OCAPTIKFSA-N 0 3 209.249 0.337 20 0 BCADHN CN(C(=O)Cc1nnc[nH]1)[C@H]1CCN(C2CC2)C1 ZINC000631238656 351259312 /nfs/dbraw/zinc/25/93/12/351259312.db2.gz NCRREUZMTASJCW-JTQLQIEISA-N 0 3 249.318 0.042 20 0 BCADHN Cc1ncc(CN(C)CC2CN(C)C2)o1 ZINC000628338437 351282113 /nfs/dbraw/zinc/28/21/13/351282113.db2.gz KAYJKRWCVGGRMU-UHFFFAOYSA-N 0 3 209.293 0.976 20 0 BCADHN C[C@@H]1C[C@H]2CCCC[C@H]2N1c1nc(N)nc(N)n1 ZINC000624001228 363022463 /nfs/dbraw/zinc/02/24/63/363022463.db2.gz ZQCOOPMCHLXMAU-IWSPIJDZSA-N 0 3 248.334 0.854 20 0 BCADHN O[C@@H]1COC[C@H]1N[C@@H]1CCCc2ncccc21 ZINC000631634622 351320572 /nfs/dbraw/zinc/32/05/72/351320572.db2.gz YLUSSNVWKMBVNM-JHJVBQTASA-N 0 3 234.299 0.808 20 0 BCADHN CN1CC[C@H](NCC2(O)CCCC2)C1=O ZINC000083466167 351385687 /nfs/dbraw/zinc/38/56/87/351385687.db2.gz FJTGCAKWWGGVGS-VIFPVBQESA-N 0 3 212.293 0.112 20 0 BCADHN O=S1(=O)CCC[C@H]1CN[C@@H]1CCSC1 ZINC000087970405 351434307 /nfs/dbraw/zinc/43/43/07/351434307.db2.gz SIEVNSCJGUBXMT-BDAKNGLRSA-N 0 3 235.374 0.659 20 0 BCADHN O=S1(=O)CCC[C@@H]1CN[C@@H]1CCSC1 ZINC000087970403 351434437 /nfs/dbraw/zinc/43/44/37/351434437.db2.gz SIEVNSCJGUBXMT-RKDXNWHRSA-N 0 3 235.374 0.659 20 0 BCADHN CC[C@@H](OC)C(=O)NCC1=CCN(C)CC1 ZINC000271879404 351442809 /nfs/dbraw/zinc/44/28/09/351442809.db2.gz MUTDAAVIYJCIAK-LLVKDONJSA-N 0 3 226.320 0.790 20 0 BCADHN CCOCCN(C)C[C@H](O)COCC ZINC000087978638 351446986 /nfs/dbraw/zinc/44/69/86/351446986.db2.gz HORVMVUVOWBTCH-JTQLQIEISA-N 0 3 205.298 0.352 20 0 BCADHN CN1CCOC[C@H]1CNCC1(F)CC1 ZINC000623712918 363058157 /nfs/dbraw/zinc/05/81/57/363058157.db2.gz OOERTYCVYTWLMT-SECBINFHSA-N 0 3 202.273 0.409 20 0 BCADHN CCN(C[C@@H]1CCCO1)C(=O)C1(N)CCC1 ZINC000088050822 351537974 /nfs/dbraw/zinc/53/79/74/351537974.db2.gz YIQUNFZYGPOLAO-JTQLQIEISA-N 0 3 226.320 0.895 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1cnnc(C)c1 ZINC000276062239 351609028 /nfs/dbraw/zinc/60/90/28/351609028.db2.gz KLWMLYDFOCNUHF-LBPRGKRZSA-N 0 3 248.330 0.999 20 0 BCADHN C[NH2+][C@H]1CCN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000637802010 351633973 /nfs/dbraw/zinc/63/39/73/351633973.db2.gz NQTPNERLVNMUDC-QMMMGPOBSA-N 0 3 239.250 0.360 20 0 BCADHN O=C(N[C@H]1CCC[NH2+]C1)c1cc(F)c[n-]c1=O ZINC000637804325 351641333 /nfs/dbraw/zinc/64/13/33/351641333.db2.gz AWOZQSAGZGLUHP-QMMMGPOBSA-N 0 3 239.250 0.408 20 0 BCADHN CC[NH2+]CCCNC(=O)c1cc(F)c[n-]c1=O ZINC000637809723 351646299 /nfs/dbraw/zinc/64/62/99/351646299.db2.gz XOOSWKACTNFMHT-UHFFFAOYSA-N 0 3 241.266 0.656 20 0 BCADHN O=C(N[C@H]1CC[NH2+]C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000637811051 351652346 /nfs/dbraw/zinc/65/23/46/351652346.db2.gz ILKJZGVRGUDFFU-QMMMGPOBSA-N 0 3 248.286 0.151 20 0 BCADHN CO[C@@](C)(CN1CCN(CCO)CC1)C1CC1 ZINC000637811692 351653211 /nfs/dbraw/zinc/65/32/11/351653211.db2.gz RYIUMNFJCNFTND-ZDUSSCGKSA-N 0 3 242.363 0.411 20 0 BCADHN CC[C@@H](O)CCNC(=O)C(N)C(F)(F)F ZINC000336732264 351655738 /nfs/dbraw/zinc/65/57/38/351655738.db2.gz FQACUWSILDQSBW-RITPCOANSA-N 0 3 228.214 0.153 20 0 BCADHN C[C@H](C(=O)NC[C@H](N)c1ccccc1)N(C)C ZINC000637832753 351682109 /nfs/dbraw/zinc/68/21/09/351682109.db2.gz MOAZCHKJLDAXSW-PWSUYJOCSA-N 0 3 235.331 0.753 20 0 BCADHN N[C@@H](CNC(=O)[C@H]1C[C@@H](O)C1)c1ccccc1 ZINC000637832406 351682386 /nfs/dbraw/zinc/68/23/86/351682386.db2.gz JKUGZGAEZUCGKR-TUAOUCFPSA-N 0 3 234.299 0.574 20 0 BCADHN N[C@@H](CNC(=O)Cc1nc[nH]n1)c1ccccc1 ZINC000637833052 351682831 /nfs/dbraw/zinc/68/28/31/351682831.db2.gz OTEQKBDXTLNTOK-JTQLQIEISA-N 0 3 245.286 0.163 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000072873140 351685969 /nfs/dbraw/zinc/68/59/69/351685969.db2.gz RYTFIRFIQLVQOC-AEJSXWLSSA-N 0 3 241.335 0.808 20 0 BCADHN O=c1ccc(CN2CCC[C@H](O)C2)c[nH]1 ZINC000637837271 351691237 /nfs/dbraw/zinc/69/12/37/351691237.db2.gz BYPINHRAJTUYFY-JTQLQIEISA-N 0 3 208.261 0.744 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H](C)N1 ZINC000637840088 351694513 /nfs/dbraw/zinc/69/45/13/351694513.db2.gz NBNNLTKXYJDKOY-LMLFDSFASA-N 0 3 248.330 0.722 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H](C)N1 ZINC000637840088 351694515 /nfs/dbraw/zinc/69/45/15/351694515.db2.gz NBNNLTKXYJDKOY-LMLFDSFASA-N 0 3 248.330 0.722 20 0 BCADHN Cc1cncn1CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000637841110 351696364 /nfs/dbraw/zinc/69/63/64/351696364.db2.gz SMDYAYCUAFGBSO-AOOOYVTPSA-N 0 3 236.319 0.400 20 0 BCADHN C[C@@H](CNCCCOCC1CC1)S(C)(=O)=O ZINC000577722212 366044500 /nfs/dbraw/zinc/04/45/00/366044500.db2.gz KJOUCYTVTHEOAD-JTQLQIEISA-N 0 3 249.376 0.826 20 0 BCADHN O=c1ccc(CN2CCC(O)CC2)c[nH]1 ZINC000637859411 351717106 /nfs/dbraw/zinc/71/71/06/351717106.db2.gz FSFCXLSWJJVJKK-UHFFFAOYSA-N 0 3 208.261 0.744 20 0 BCADHN CC1(C)CNCCN1C(=O)C12CC(C1)C2 ZINC000637857223 351717725 /nfs/dbraw/zinc/71/77/25/351717725.db2.gz NQLMJIOCMZBESE-UHFFFAOYSA-N 0 3 208.305 0.997 20 0 BCADHN Cc1ncc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c(=O)[n-]1 ZINC000577768877 366059575 /nfs/dbraw/zinc/05/95/75/366059575.db2.gz VBDPVFVAFNECAB-GHMZBOCLSA-N 0 3 236.319 0.850 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCC1CCCCC1 ZINC000637869561 351730794 /nfs/dbraw/zinc/73/07/94/351730794.db2.gz MUWLRDIQYPSOOA-MNOVXSKESA-N 0 3 226.320 0.799 20 0 BCADHN C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000637871650 351733706 /nfs/dbraw/zinc/73/37/06/351733706.db2.gz SLLKRXUPNSIAOF-XWLWVQCSSA-N 0 3 226.320 0.607 20 0 BCADHN CCC[C@@H](C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000637873185 351739835 /nfs/dbraw/zinc/73/98/35/351739835.db2.gz HRKRZHSTCCPDTA-HRDYMLBCSA-N 0 3 200.282 0.407 20 0 BCADHN CNC(=O)C1CCN(Cc2ccc(=O)[nH]c2)CC1 ZINC000637882246 351747216 /nfs/dbraw/zinc/74/72/16/351747216.db2.gz XHFRDYZGZFHJNE-UHFFFAOYSA-N 0 3 249.314 0.745 20 0 BCADHN CCN[C@H](C)C(=O)Nc1ccnn1CC ZINC000637884167 351748864 /nfs/dbraw/zinc/74/88/64/351748864.db2.gz NISBHLDWCCCETK-MRVPVSSYSA-N 0 3 210.281 0.840 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCCc1cccs1 ZINC000637886053 351753164 /nfs/dbraw/zinc/75/31/64/351753164.db2.gz GCISDAQTXDJBIP-ZJUUUORDSA-N 0 3 240.328 0.523 20 0 BCADHN Cc1nccn1-c1ccc(NC(=O)[C@@H](C)N)cn1 ZINC000037005277 358465975 /nfs/dbraw/zinc/46/59/75/358465975.db2.gz KBIKXXHTXNFISU-MRVPVSSYSA-N 0 3 245.286 0.861 20 0 BCADHN CCOC(=O)CCCN1CC[C@@](C)(O)C1 ZINC000177977953 366072889 /nfs/dbraw/zinc/07/28/89/366072889.db2.gz KSEMELQOVDFHJA-LLVKDONJSA-N 0 3 215.293 0.786 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](CC)COC ZINC000637907424 351778594 /nfs/dbraw/zinc/77/85/94/351778594.db2.gz MFLOWFRZZGTHNX-DTWKUNHWSA-N 0 3 202.298 0.526 20 0 BCADHN CCN[C@@H](C)C(=O)NCCC(=O)NC(C)C ZINC000637905359 351778600 /nfs/dbraw/zinc/77/86/00/351778600.db2.gz YVNHWAIPRRRHIS-VIFPVBQESA-N 0 3 229.324 0.015 20 0 BCADHN Cc1ccsc1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000637907729 351781122 /nfs/dbraw/zinc/78/11/22/351781122.db2.gz QSKIUTAWGAGXHB-WCBMZHEXSA-N 0 3 240.328 0.789 20 0 BCADHN CCCN(CC)C(=O)[C@@H]1OCC[C@@H]1N ZINC000637908082 351781789 /nfs/dbraw/zinc/78/17/89/351781789.db2.gz YZLXZNQEPULCCU-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN CCN[C@H](C)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000637911246 351784847 /nfs/dbraw/zinc/78/48/47/351784847.db2.gz ITLOGZQOKCEJEU-SECBINFHSA-N 0 3 249.314 0.651 20 0 BCADHN CC[C@H](NC(=O)C(C)S(C)(=O)=O)C1CC1 ZINC000618863640 351787109 /nfs/dbraw/zinc/78/71/09/351787109.db2.gz CQTVIRGXBZDFJS-APPZFPTMSA-N 0 3 233.333 0.724 20 0 BCADHN CC(C)CCN(C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000637916619 351791437 /nfs/dbraw/zinc/79/14/37/351791437.db2.gz GFBFSDYBRLEAQP-VHSXEESVSA-N 0 3 214.309 0.607 20 0 BCADHN CC(=O)NCCCNC(=O)[C@@H](N)CCC(C)C ZINC000637925405 351799072 /nfs/dbraw/zinc/79/90/72/351799072.db2.gz UNXBESGFLYWUJS-NSHDSACASA-N 0 3 243.351 0.392 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1ccnn1C ZINC000637926786 351801950 /nfs/dbraw/zinc/80/19/50/351801950.db2.gz FTQKOFBIOQROCS-QMMMGPOBSA-N 0 3 210.281 0.034 20 0 BCADHN CO[C@@]1(CN(C)C[C@H]2CCCO2)CCOC1 ZINC000637893384 351763022 /nfs/dbraw/zinc/76/30/22/351763022.db2.gz IERCHQJDCAUYFO-VXGBXAGGSA-N 0 3 229.320 0.903 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1ccc(=O)n(C)c1 ZINC000637927515 351803013 /nfs/dbraw/zinc/80/30/13/351803013.db2.gz WJBXGVUNILYFLT-QMMMGPOBSA-N 0 3 223.276 0.322 20 0 BCADHN CN(C(=O)[C@@H]1OCC[C@@H]1N)C1CCCC1 ZINC000637896201 351764644 /nfs/dbraw/zinc/76/46/44/351764644.db2.gz JMVCNOLDLICDLW-VHSXEESVSA-N 0 3 212.293 0.504 20 0 BCADHN CCN[C@H](C)C(=O)N1CCO[C@@H](CC)C1 ZINC000637902311 351774565 /nfs/dbraw/zinc/77/45/65/351774565.db2.gz FMMDZXRHUJHCDP-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)[C@@H](C)N(C)Cc1cnc(N)nc1N ZINC000637902218 351774692 /nfs/dbraw/zinc/77/46/92/351774692.db2.gz KBQSQQCWGLVBAJ-MRVPVSSYSA-N 0 3 223.324 0.778 20 0 BCADHN CN(CC(C)(C)C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000637941686 351818831 /nfs/dbraw/zinc/81/88/31/351818831.db2.gz OTXWXMXADFPUTP-DTWKUNHWSA-N 0 3 214.309 0.607 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000637949995 351826433 /nfs/dbraw/zinc/82/64/33/351826433.db2.gz YZIYOJRLRVXHBA-DTWKUNHWSA-N 0 3 243.351 0.404 20 0 BCADHN CCN[C@H](C)C(=O)N(CC)CCOCC ZINC000637957554 351833265 /nfs/dbraw/zinc/83/32/65/351833265.db2.gz HMPCHUGTDFKSEP-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@H](C)S1 ZINC000637960688 351834923 /nfs/dbraw/zinc/83/49/23/351834923.db2.gz QOVSLDUHUPBRRS-AATLWQCWSA-N 0 3 244.360 0.455 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@H](C)S1 ZINC000637960690 351835150 /nfs/dbraw/zinc/83/51/50/351835150.db2.gz QOVSLDUHUPBRRS-QCLAVDOMSA-N 0 3 244.360 0.455 20 0 BCADHN Cc1noc(CNC(=O)[C@@H](N)CCC(C)C)n1 ZINC000637940963 351815298 /nfs/dbraw/zinc/81/52/98/351815298.db2.gz AUUNKQQTSYGQTA-VIFPVBQESA-N 0 3 240.307 0.758 20 0 BCADHN CCN[C@H](C)C(=O)N1CCCO[C@H](C)C1 ZINC000637979031 351854449 /nfs/dbraw/zinc/85/44/49/351854449.db2.gz RGBDMFPRWIUBMZ-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCCO[C@@H](C)C1 ZINC000637979032 351854489 /nfs/dbraw/zinc/85/44/89/351854489.db2.gz RGBDMFPRWIUBMZ-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CNC(=O)CCN(C)C(=O)[C@H](N)CCC(C)C ZINC000637977638 351855837 /nfs/dbraw/zinc/85/58/37/351855837.db2.gz JNPHFMPLUOQPBY-SNVBAGLBSA-N 0 3 243.351 0.344 20 0 BCADHN CCN[C@@H](C)C(=O)NCCCc1cnn(C)c1 ZINC000637980053 351857363 /nfs/dbraw/zinc/85/73/63/351857363.db2.gz UYSLZXOVQNRQPL-JTQLQIEISA-N 0 3 238.335 0.467 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N1Cc2ccccc2C1 ZINC000637984800 351858840 /nfs/dbraw/zinc/85/88/40/351858840.db2.gz AWIWGRAHUVCHBK-NEPJUHHUSA-N 0 3 232.283 0.645 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N[C@@H](C(N)=O)C(C)C ZINC000637985704 351861729 /nfs/dbraw/zinc/86/17/29/351861729.db2.gz GIELTOBRUWRASV-NXEZZACHSA-N 0 3 243.351 0.376 20 0 BCADHN CC[C@H](C)CN(C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000637987060 351860232 /nfs/dbraw/zinc/86/02/32/351860232.db2.gz NTAWOUFUAIHGJX-LPEHRKFASA-N 0 3 214.309 0.607 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000637985337 351860687 /nfs/dbraw/zinc/86/06/87/351860687.db2.gz DNZSWJCWAUEBST-DTWKUNHWSA-N 0 3 224.308 0.595 20 0 BCADHN CCN[C@H](C)C(=O)NC1CCSCC1 ZINC000637969022 351841617 /nfs/dbraw/zinc/84/16/17/351841617.db2.gz DMUBXVRKPXEXBK-MRVPVSSYSA-N 0 3 216.350 0.996 20 0 BCADHN CCN[C@H](C)C(=O)NC(CC)(CC)C(N)=O ZINC000637969285 351842769 /nfs/dbraw/zinc/84/27/69/351842769.db2.gz XTTSEIOAHDBKBL-MRVPVSSYSA-N 0 3 229.324 0.145 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@H]1CCCS1 ZINC000638005865 351879225 /nfs/dbraw/zinc/87/92/25/351879225.db2.gz ZTAASAJKLRFOSB-DTWKUNHWSA-N 0 3 216.350 0.996 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@H](CC)CCO ZINC000638005529 351881052 /nfs/dbraw/zinc/88/10/52/351881052.db2.gz SEYJRAFTUGIDJF-ZJUUUORDSA-N 0 3 216.325 0.509 20 0 BCADHN Cc1ccc(CCNC(=O)[C@@H]2OCC[C@@H]2N)cc1 ZINC000638003748 351882695 /nfs/dbraw/zinc/88/26/95/351882695.db2.gz RZKUTTRUTJMGMT-QWHCGFSZSA-N 0 3 248.326 0.770 20 0 BCADHN CC(C)N1CCC[C@@H](N2CCC[C@H](O)C2)C1=O ZINC000177667034 535168118 /nfs/dbraw/zinc/16/81/18/535168118.db2.gz XFPVRBQMZSUOCN-NWDGAFQWSA-N 0 3 240.347 0.843 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N[C@H]1CCN(C)C1=O ZINC000637992093 351868838 /nfs/dbraw/zinc/86/88/38/351868838.db2.gz QOSKMWPDGYXRDI-UWVGGRQHSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@@H]1CCCN(Cc2cnc(N)nc2N)[C@@H]1C ZINC000637992765 351870703 /nfs/dbraw/zinc/87/07/03/351870703.db2.gz HYLDNBMYTZEHTB-RKDXNWHRSA-N 0 3 235.335 0.922 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000638039217 351919976 /nfs/dbraw/zinc/91/99/76/351919976.db2.gz SGAHVAAAUYTTJF-OPRDCNLKSA-N 0 3 228.336 0.914 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)[C@@H]1C ZINC000638040389 351921261 /nfs/dbraw/zinc/92/12/61/351921261.db2.gz NNXLJKMHTHVJPW-DOLQZWNJSA-N 0 3 212.293 0.360 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)Nc1cccnc1 ZINC000638047749 351924604 /nfs/dbraw/zinc/92/46/04/351924604.db2.gz LPBIMSWBCSTQEX-BDAKNGLRSA-N 0 3 207.233 0.136 20 0 BCADHN CCN[C@@H](C)C(=O)N1CC[C@H](OC)C1 ZINC000638007736 351884544 /nfs/dbraw/zinc/88/45/44/351884544.db2.gz ORHZYPRNUGYKJO-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN CNC(=O)[C@H]1CCCN(Cc2ccc(=O)[nH]c2)C1 ZINC000638072192 351944891 /nfs/dbraw/zinc/94/48/91/351944891.db2.gz DNLMUVPAFPQXFS-NSHDSACASA-N 0 3 249.314 0.745 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@H](C)C[C@H](C)O ZINC000638015235 351892272 /nfs/dbraw/zinc/89/22/72/351892272.db2.gz IRRGOGWVCIEALS-KXUCPTDWSA-N 0 3 216.325 0.508 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000638015595 351892481 /nfs/dbraw/zinc/89/24/81/351892481.db2.gz QBRHJFYVUXXJEI-KXUCPTDWSA-N 0 3 241.335 0.145 20 0 BCADHN COC(C)(C)C[C@@H](C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638017739 351892881 /nfs/dbraw/zinc/89/28/81/351892881.db2.gz GSFIYWPZJCWJIY-KXUCPTDWSA-N 0 3 244.335 0.422 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](COC)C(C)C ZINC000638016409 351893816 /nfs/dbraw/zinc/89/38/16/351893816.db2.gz RVCVDCROWOCWDR-ZJUUUORDSA-N 0 3 216.325 0.772 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000638017544 351896587 /nfs/dbraw/zinc/89/65/87/351896587.db2.gz FWOIHVGICDFQQZ-AXFHLTTASA-N 0 3 228.336 0.916 20 0 BCADHN CC1(C)[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3N)C[C@@H]21 ZINC000638021107 351900334 /nfs/dbraw/zinc/90/03/34/351900334.db2.gz LRSISCUZQGOHQZ-QCLAVDOMSA-N 0 3 224.304 0.217 20 0 BCADHN CCC[C@H](CN1CCN(C[C@H](C)O)CC1)OC ZINC000638027280 351905924 /nfs/dbraw/zinc/90/59/24/351905924.db2.gz SEEASXBOGRFWOE-QWHCGFSZSA-N 0 3 244.379 0.800 20 0 BCADHN CCC[C@H](CN1CCN(C[C@@H](C)O)CC1)OC ZINC000638027278 351905979 /nfs/dbraw/zinc/90/59/79/351905979.db2.gz SEEASXBOGRFWOE-CHWSQXEVSA-N 0 3 244.379 0.800 20 0 BCADHN CC[C@@](C)(CN1CCNC(=O)CC1)OC ZINC000638029210 351909210 /nfs/dbraw/zinc/90/92/10/351909210.db2.gz NIIDCCNVURKTCQ-NSHDSACASA-N 0 3 214.309 0.623 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000638033671 351914186 /nfs/dbraw/zinc/91/41/86/351914186.db2.gz MDQSRWFKWPBVDC-HBNTYKKESA-N 0 3 244.335 0.295 20 0 BCADHN CCN[C@H](C)C(=O)NCCCO[C@H]1CCOC1 ZINC000638033521 351914243 /nfs/dbraw/zinc/91/42/43/351914243.db2.gz LFCBNTNQENOCSR-MNOVXSKESA-N 0 3 244.335 0.296 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@@H](C)Cn1ccnc1 ZINC000638077888 351951331 /nfs/dbraw/zinc/95/13/31/351951331.db2.gz XTZXHPRWTBHUPF-MNOVXSKESA-N 0 3 238.335 0.633 20 0 BCADHN CCN[C@@H](C)C(=O)N(CC)Cc1cnn(C)c1 ZINC000638081811 351955026 /nfs/dbraw/zinc/95/50/26/351955026.db2.gz CRZCLDQXONDTEG-JTQLQIEISA-N 0 3 238.335 0.767 20 0 BCADHN CO[C@]1(CN(C)Cc2cn[nH]c2)CCOC1 ZINC000638085666 351963325 /nfs/dbraw/zinc/96/33/25/351963325.db2.gz XJQOCGOFTTTZMY-NSHDSACASA-N 0 3 225.292 0.647 20 0 BCADHN CCC[C@H](CN(C)CC(C)(CO)CO)OC ZINC000638093946 351973571 /nfs/dbraw/zinc/97/35/71/351973571.db2.gz OQJPSHHZMZOXFU-LLVKDONJSA-N 0 3 233.352 0.724 20 0 BCADHN CN(C)Cc1cc(CNC(=O)CN)ccc1F ZINC000237037702 191144586 /nfs/dbraw/zinc/14/45/86/191144586.db2.gz DYOTWBGGIPKJQQ-UHFFFAOYSA-N 0 3 239.294 0.462 20 0 BCADHN Cc1ncc(CNCCCN2CCCC2=O)cn1 ZINC000339283669 191144701 /nfs/dbraw/zinc/14/47/01/191144701.db2.gz XPLBQANPEWAWGW-UHFFFAOYSA-N 0 3 248.330 0.887 20 0 BCADHN COC[C@@]1(C(=O)N(C)C)CCCCN1 ZINC000638151957 352012969 /nfs/dbraw/zinc/01/29/69/352012969.db2.gz HBTDWSBMFKQZHS-SNVBAGLBSA-N 0 3 200.282 0.233 20 0 BCADHN CCN[C@H](C)C(=O)N(C)c1cnn(C)c1 ZINC000638122761 351996410 /nfs/dbraw/zinc/99/64/10/351996410.db2.gz KYNBZGFXLNXYQR-MRVPVSSYSA-N 0 3 210.281 0.381 20 0 BCADHN CCO[C@H](C(=O)NCCNCCOC)C(C)C ZINC000638153758 352013632 /nfs/dbraw/zinc/01/36/32/352013632.db2.gz RTUPFYPWFGTPOS-NSHDSACASA-N 0 3 246.351 0.400 20 0 BCADHN C[C@@H](Cc1ccncc1)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638124202 351997273 /nfs/dbraw/zinc/99/72/73/351997273.db2.gz YRSQWGKEQUUYAL-ZMLRMANQSA-N 0 3 249.314 0.245 20 0 BCADHN CN(C(=O)[C@@H]1OCC[C@@H]1N)[C@@H]1CCSC1 ZINC000638141567 352004884 /nfs/dbraw/zinc/00/48/84/352004884.db2.gz LOYJARDFUAEDQU-HRDYMLBCSA-N 0 3 230.333 0.067 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)[C@@H]1CCSC1 ZINC000638143371 352006688 /nfs/dbraw/zinc/00/66/88/352006688.db2.gz ZQKONMKMGYPNNZ-DTWKUNHWSA-N 0 3 216.350 0.948 20 0 BCADHN Cc1ccc(O)c(NC(=O)[C@@H]2OCC[C@@H]2N)c1 ZINC000638202535 352063421 /nfs/dbraw/zinc/06/34/21/352063421.db2.gz SUVWWINHIRRAEG-GZMMTYOYSA-N 0 3 236.271 0.755 20 0 BCADHN C[C@H]1NCCN(C(=O)[C@@H]2CCCCN2C)[C@H]1C ZINC000638202894 352063819 /nfs/dbraw/zinc/06/38/19/352063819.db2.gz BRTNAXGUJXZYSD-WOPDTQHZSA-N 0 3 239.363 0.680 20 0 BCADHN CNc1cnc(C(=O)N2CCN[C@H](C)[C@@H]2C)cn1 ZINC000638203309 352064150 /nfs/dbraw/zinc/06/41/50/352064150.db2.gz DVKRBKKZMQVNHT-BDAKNGLRSA-N 0 3 249.318 0.341 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000638204803 352067479 /nfs/dbraw/zinc/06/74/79/352067479.db2.gz FQYSPYAMXMWLAR-WCBMZHEXSA-N 0 3 236.319 0.469 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cc(=O)[n-]cn2)CC[NH2+]1 ZINC000638207855 352069985 /nfs/dbraw/zinc/06/99/85/352069985.db2.gz CIUQCWFQIBTMHW-HTQZYQBOSA-N 0 3 236.275 0.053 20 0 BCADHN C[C@@H]1CN(C(=O)C23CC(C2)C3)[C@H](C)CN1 ZINC000638154471 352015097 /nfs/dbraw/zinc/01/50/97/352015097.db2.gz BQTFQQSXPIVASF-XTQFYOIMSA-N 0 3 208.305 0.995 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)C12CC(C1)C2 ZINC000638154467 352015284 /nfs/dbraw/zinc/01/52/84/352015284.db2.gz BQTFQQSXPIVASF-SKMKEBHYSA-N 0 3 208.305 0.995 20 0 BCADHN COC1CC(C(=O)N2C[C@H](C)NC[C@H]2C)C1 ZINC000638156871 352020515 /nfs/dbraw/zinc/02/05/15/352020515.db2.gz JRCPFFCWPCBSAH-IZUQBHJASA-N 0 3 226.320 0.620 20 0 BCADHN C[C@H]1CN(C(=O)c2cn(C3CC3)nn2)[C@@H](C)CN1 ZINC000638157991 352022027 /nfs/dbraw/zinc/02/20/27/352022027.db2.gz NPGXNXUZKRXDDO-IUCAKERBSA-N 0 3 249.318 0.435 20 0 BCADHN C[C@@H]1CN(C(=O)c2cn(C3CC3)nn2)[C@@H](C)CN1 ZINC000638157985 352022071 /nfs/dbraw/zinc/02/20/71/352022071.db2.gz NPGXNXUZKRXDDO-BDAKNGLRSA-N 0 3 249.318 0.435 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000638158383 352022109 /nfs/dbraw/zinc/02/21/09/352022109.db2.gz PRLHYISTTKYLNZ-IUCAKERBSA-N 0 3 236.319 0.469 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000638158384 352022293 /nfs/dbraw/zinc/02/22/93/352022293.db2.gz PRLHYISTTKYLNZ-RKDXNWHRSA-N 0 3 236.319 0.469 20 0 BCADHN CCC[C@H]1CNCCN1C(=O)[C@@H](C)N(C)C ZINC000638159075 352023366 /nfs/dbraw/zinc/02/33/66/352023366.db2.gz OCBFFMXTMZWBEG-MNOVXSKESA-N 0 3 227.352 0.537 20 0 BCADHN CNc1cnc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cn1 ZINC000638159947 352023949 /nfs/dbraw/zinc/02/39/49/352023949.db2.gz UBHAXRXSNOKNBE-BDAKNGLRSA-N 0 3 249.318 0.341 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](COC)C1CC1 ZINC000638169975 352033475 /nfs/dbraw/zinc/03/34/75/352033475.db2.gz GIEJZGVKVWIALV-PSASIEDQSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@H]1CC[C@H](C)N1Cc1cnc(N)nc1N ZINC000638170654 352034974 /nfs/dbraw/zinc/03/49/74/352034974.db2.gz HRASZUCAEFMADZ-YUMQZZPRSA-N 0 3 221.308 0.675 20 0 BCADHN CC(C)[C@@H]1CCN(Cc2cnc(N)nc2N)C1 ZINC000638171837 352039107 /nfs/dbraw/zinc/03/91/07/352039107.db2.gz WKECLZOIOUDFRL-SECBINFHSA-N 0 3 235.335 0.780 20 0 BCADHN Cc1cc(CN)oc1C(=O)NCC(F)(F)CN ZINC000638174821 352040859 /nfs/dbraw/zinc/04/08/59/352040859.db2.gz RVLCQWRBMNIVCS-UHFFFAOYSA-N 0 3 247.245 0.371 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCO[C@H](C(C)C)C1 ZINC000638285919 352121133 /nfs/dbraw/zinc/12/11/33/352121133.db2.gz ZKHLFVYWVPCKFY-QWRGUYRKSA-N 0 3 228.336 0.868 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000638285920 352121223 /nfs/dbraw/zinc/12/12/23/352121223.db2.gz ZKHLFVYWVPCKFY-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN COCCC1(CNC(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638310108 352136940 /nfs/dbraw/zinc/13/69/40/352136940.db2.gz WIZKEVPPASCZHQ-VHSXEESVSA-N 0 3 242.319 0.036 20 0 BCADHN O=c1c(CNCCCO)cccn1C(F)F ZINC000638289180 352125080 /nfs/dbraw/zinc/12/50/80/352125080.db2.gz LXQMRVYMUZAGAQ-UHFFFAOYSA-N 0 3 232.230 0.715 20 0 BCADHN OCCCNCc1cc2c(cn1)OCCO2 ZINC000638288803 352126104 /nfs/dbraw/zinc/12/61/04/352126104.db2.gz ATXHSNBRQRJFPI-UHFFFAOYSA-N 0 3 224.260 0.325 20 0 BCADHN C[C@@H](Cc1cnccn1)NCCNC(=O)C1CC1 ZINC000638296692 352129366 /nfs/dbraw/zinc/12/93/66/352129366.db2.gz VEIDATGFDXEHMZ-JTQLQIEISA-N 0 3 248.330 0.523 20 0 BCADHN C[C@@H](NCc1cnc(N)nc1N)C1CC1 ZINC000638301744 352132768 /nfs/dbraw/zinc/13/27/68/352132768.db2.gz FLBGITGWVJIZOM-ZCFIWIBFSA-N 0 3 207.281 0.190 20 0 BCADHN CCN[C@H](C)C(=O)NCc1ncc(CC)o1 ZINC000638305981 352134346 /nfs/dbraw/zinc/13/43/46/352134346.db2.gz GKBZKWMCVFLJOX-MRVPVSSYSA-N 0 3 225.292 0.851 20 0 BCADHN CN(C)c1ncccc1CNC(=O)C(C)(C)N ZINC000083928457 352083820 /nfs/dbraw/zinc/08/38/20/352083820.db2.gz CVPIZADGNNHLQZ-UHFFFAOYSA-N 0 3 236.319 0.501 20 0 BCADHN O=C(COCC(F)F)NC[C@@H]1C[C@H](F)CN1 ZINC000638247183 352093144 /nfs/dbraw/zinc/09/31/44/352093144.db2.gz HABIJMZDVCCDPM-BQBZGAKWSA-N 0 3 240.225 0.084 20 0 BCADHN Cc1cncn1CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000638246726 352093324 /nfs/dbraw/zinc/09/33/24/352093324.db2.gz DMOJHFLSBTZSPK-UWVGGRQHSA-N 0 3 240.282 0.008 20 0 BCADHN CCN1CCC(NC(=O)CN(C)C)CC1 ZINC000340234067 352095479 /nfs/dbraw/zinc/09/54/79/352095479.db2.gz AKEVRWHSHOWWLJ-UHFFFAOYSA-N 0 3 213.325 0.149 20 0 BCADHN C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000638256123 352102903 /nfs/dbraw/zinc/10/29/03/352102903.db2.gz OCJLHOJENILPNW-PHDIDXHHSA-N 0 3 227.239 0.392 20 0 BCADHN CCN[C@H](C)C(=O)Nc1cnc(N(C)C)nc1 ZINC000638305131 352135677 /nfs/dbraw/zinc/13/56/77/352135677.db2.gz ZXCOYWJWCQDSIU-MRVPVSSYSA-N 0 3 237.307 0.479 20 0 BCADHN CN(C(=O)c1cc(=O)[n-]cn1)C1(C[NH3+])CCC1 ZINC000638263646 352105729 /nfs/dbraw/zinc/10/57/29/352105729.db2.gz XGDVYAJTCOFEFN-UHFFFAOYSA-N 0 3 236.275 0.136 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000638269149 352107972 /nfs/dbraw/zinc/10/79/72/352107972.db2.gz WNWZAHOVOFDJDW-WCBMZHEXSA-N 0 3 248.286 0.006 20 0 BCADHN CCN[C@H](C)C(=O)N(C)Cc1nccn1C ZINC000638270414 352108177 /nfs/dbraw/zinc/10/81/77/352108177.db2.gz DSJDAKRWLJUOND-SECBINFHSA-N 0 3 224.308 0.377 20 0 BCADHN Cc1ccc(NC(=O)[C@@H]2OCC[C@@H]2N)c(O)c1 ZINC000638270987 352109342 /nfs/dbraw/zinc/10/93/42/352109342.db2.gz PJUADTXTHIVPMR-GZMMTYOYSA-N 0 3 236.271 0.755 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N1CCNC(C)(C)C1 ZINC000638271651 352109598 /nfs/dbraw/zinc/10/95/98/352109598.db2.gz YMXZTLSUSRZINO-LLVKDONJSA-N 0 3 241.379 0.960 20 0 BCADHN Cc1ccc(NC(=O)[C@@H]2OCC[C@@H]2N)c(=O)[nH]1 ZINC000638279250 352115258 /nfs/dbraw/zinc/11/52/58/352115258.db2.gz KKJDPZYZEFFGKR-IONNQARKSA-N 0 3 237.259 0.150 20 0 BCADHN Cn1ncnc1CNCCN1CCCCCC1 ZINC000638335987 352154411 /nfs/dbraw/zinc/15/44/11/352154411.db2.gz OJFZSFDKDBYRTM-UHFFFAOYSA-N 0 3 237.351 0.781 20 0 BCADHN COc1ccccc1OCCNC(CO)CO ZINC000088401721 363115779 /nfs/dbraw/zinc/11/57/79/363115779.db2.gz KBFNXMWHNGCCHZ-UHFFFAOYSA-N 0 3 241.287 0.017 20 0 BCADHN C[C@H]1C[C@@H]1CNCc1cnc(N)nc1N ZINC000638362674 352175158 /nfs/dbraw/zinc/17/51/58/352175158.db2.gz KHNRIRVIWIEDSI-NKWVEPMBSA-N 0 3 207.281 0.047 20 0 BCADHN COCC1(CCNC(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638371999 352185250 /nfs/dbraw/zinc/18/52/50/352185250.db2.gz RPBFFTBSMMFMCI-VHSXEESVSA-N 0 3 242.319 0.036 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000638379058 352191850 /nfs/dbraw/zinc/19/18/50/352191850.db2.gz WGXHHXYWZOEXHX-IWSPIJDZSA-N 0 3 200.282 0.278 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC=CCC1 ZINC000638382946 352192226 /nfs/dbraw/zinc/19/22/26/352192226.db2.gz ZACOYURMDIGSCG-BBBLOLIVSA-N 0 3 210.277 0.328 20 0 BCADHN CCN[C@H](C)C(=O)N1CCC([C@@H](C)CO)CC1 ZINC000638389030 352196031 /nfs/dbraw/zinc/19/60/31/352196031.db2.gz BMPRYMRYZUGUME-WDEREUQCSA-N 0 3 242.363 0.851 20 0 BCADHN CCN1CCN(Cc2cc[nH]n2)[C@@H](C)C1 ZINC000289722303 352196086 /nfs/dbraw/zinc/19/60/86/352196086.db2.gz PJVWVCOLTOGOCH-JTQLQIEISA-N 0 3 208.309 0.936 20 0 BCADHN CC(C)(C)NS(=O)(=O)C1(CNC2CC2)CC1 ZINC000638317751 352142185 /nfs/dbraw/zinc/14/21/85/352142185.db2.gz RKDKSFXBMIWFOF-UHFFFAOYSA-N 0 3 246.376 0.989 20 0 BCADHN CCN1CCN(C(=O)c2cnc[nH]2)[C@H](C)C1 ZINC000288430202 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ZINC000638864923 353038998 /nfs/dbraw/zinc/03/89/98/353038998.db2.gz DDUUHIMAWDIEOV-SNVBAGLBSA-N 0 3 216.325 0.725 20 0 BCADHN COC[C@](C)(CO)NC[C@H](OC)C1CC1 ZINC000638874512 353044405 /nfs/dbraw/zinc/04/44/05/353044405.db2.gz UNZIIIWKZNNYOB-QWRGUYRKSA-N 0 3 217.309 0.398 20 0 BCADHN COC[C@@](C)(CO)NC[C@@H]1CCCCO1 ZINC000638874946 353045223 /nfs/dbraw/zinc/04/52/23/353045223.db2.gz ZKKHJYUEKZWYPJ-WDEREUQCSA-N 0 3 217.309 0.543 20 0 BCADHN CCN1CC[C@H]2OCCN(C(=O)C3CC3)[C@H]2C1 ZINC000334430841 353105590 /nfs/dbraw/zinc/10/55/90/353105590.db2.gz BAYLCLOPOJHTJM-NWDGAFQWSA-N 0 3 238.331 0.718 20 0 BCADHN CC(C)[C@@H](O)CN1C[C@@H](CO)OC(C)(C)C1 ZINC000300950936 188002250 /nfs/dbraw/zinc/00/22/50/188002250.db2.gz ZNLYFXRKTRQSJZ-QWRGUYRKSA-N 0 3 231.336 0.475 20 0 BCADHN CC(C)(CC(N)=O)NC[C@@H](O)C(F)(F)F ZINC000122198817 188008399 /nfs/dbraw/zinc/00/83/99/188008399.db2.gz IMYYAXYKKCEORT-RXMQYKEDSA-N 0 3 228.214 0.153 20 0 BCADHN C=Cn1cc(CNC[C@@H](COC)OC)cn1 ZINC000219394499 188009521 /nfs/dbraw/zinc/00/95/21/188009521.db2.gz DIJYWCHRVDBZGZ-NSHDSACASA-N 0 3 225.292 0.735 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H](O)c1ccsc1 ZINC000225520015 188010492 /nfs/dbraw/zinc/01/04/92/188010492.db2.gz NCNLJFCAMDNSRZ-ZJUUUORDSA-N 0 3 242.344 0.881 20 0 BCADHN CC(C)COCCN(C[C@@H](C)O)[C@H](C)CO ZINC000337484986 188014731 /nfs/dbraw/zinc/01/47/31/188014731.db2.gz XWQWTYUWYNCBBQ-VXGBXAGGSA-N 0 3 233.352 0.723 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@H]2OCC[C@H]2C1 ZINC000365916288 188015725 /nfs/dbraw/zinc/01/57/25/188015725.db2.gz VGYZGCATBDDYAE-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)C[C@H](N)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000262661659 188020951 /nfs/dbraw/zinc/02/09/51/188020951.db2.gz ZPJGWMUUSQGKGO-QMMMGPOBSA-N 0 3 238.291 0.426 20 0 BCADHN Cc1ncncc1C(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000264227335 188021652 /nfs/dbraw/zinc/02/16/52/188021652.db2.gz XDEZPJDDQVVJOK-LLVKDONJSA-N 0 3 248.330 0.809 20 0 BCADHN CCN(C)CCNC(=O)NCc1cccn1C ZINC000073897038 353135292 /nfs/dbraw/zinc/13/52/92/353135292.db2.gz DAUUFDSAEKUPTJ-UHFFFAOYSA-N 0 3 238.335 0.776 20 0 BCADHN COc1ncccc1CNC1CCN(C=O)CC1 ZINC000278157172 188030573 /nfs/dbraw/zinc/03/05/73/188030573.db2.gz BAIYYJMMUKGYIY-UHFFFAOYSA-N 0 3 249.314 0.801 20 0 BCADHN CC(C)[C@H](O)CN1CC[C@@H](n2cncn2)C1 ZINC000366602371 188032220 /nfs/dbraw/zinc/03/22/20/188032220.db2.gz NHBTUMMNZROPPJ-GHMZBOCLSA-N 0 3 224.308 0.542 20 0 BCADHN Cc1ncc(CNCCCC(=O)N(C)C)cn1 ZINC000340415097 188037380 /nfs/dbraw/zinc/03/73/80/188037380.db2.gz KTICBIVVSPKLEE-UHFFFAOYSA-N 0 3 236.319 0.743 20 0 BCADHN CC(C)(N)C(=O)NCc1cccc(C(N)=O)c1 ZINC000040925253 188042880 /nfs/dbraw/zinc/04/28/80/188042880.db2.gz WGWJCKDGGVYEJL-UHFFFAOYSA-N 0 3 235.287 0.139 20 0 BCADHN CC(C)(N)C(=O)NC[C@H](O)c1ccccc1 ZINC000040920636 188043373 /nfs/dbraw/zinc/04/33/73/188043373.db2.gz JRKUTQBTDPXRTQ-JTQLQIEISA-N 0 3 222.288 0.574 20 0 BCADHN C(c1nnnn1C1CC1)N1CCN2CCC[C@H]2C1 ZINC000328640726 188045969 /nfs/dbraw/zinc/04/59/69/188045969.db2.gz FEVVAWNSNRUFEO-NSHDSACASA-N 0 3 248.334 0.288 20 0 BCADHN CN(CCC(=O)NC(N)=O)C[C@H]1CCCCO1 ZINC000048839867 353158361 /nfs/dbraw/zinc/15/83/61/353158361.db2.gz MPGDNMHODGLTOD-SECBINFHSA-N 0 3 243.307 0.072 20 0 BCADHN CC(C)CNC(=O)C(C)S(=O)(=O)CC1CC1 ZINC000331811840 188052823 /nfs/dbraw/zinc/05/28/23/188052823.db2.gz ZDVKEWKCQHJITP-VIFPVBQESA-N 0 3 247.360 0.972 20 0 BCADHN CC1(C)OCC[C@@H]1N[C@@H]1CCN(C2CC2)C1=O ZINC000336254645 188053712 /nfs/dbraw/zinc/05/37/12/188053712.db2.gz DXOPVUMTOUNPDG-MNOVXSKESA-N 0 3 238.331 0.907 20 0 BCADHN CN(C(=O)C1CCN(C)CC1)[C@H]1CCOC1 ZINC000336476257 188057297 /nfs/dbraw/zinc/05/72/97/188057297.db2.gz BDMAXQOCDXLGEY-NSHDSACASA-N 0 3 226.320 0.576 20 0 BCADHN CC(C)C[C@@H](C)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000336459181 188057651 /nfs/dbraw/zinc/05/76/51/188057651.db2.gz LPHTWSFHJZCPLI-ZJUUUORDSA-N 0 3 239.319 0.657 20 0 BCADHN CCC[C@H](N)C(=O)NCc1noc(C)n1 ZINC000225486735 363204859 /nfs/dbraw/zinc/20/48/59/363204859.db2.gz HCPOSPHHYSYJOR-ZETCQYMHSA-N 0 3 212.253 0.122 20 0 BCADHN CC(C(=O)NC1CCCC1)S(C)(=O)=O ZINC000046900053 353148207 /nfs/dbraw/zinc/14/82/07/353148207.db2.gz NDBBYSZJHVFXIR-ZETCQYMHSA-N 0 3 219.306 0.478 20 0 BCADHN Cn1nncc1CN1CC[C@H]2OCCC[C@H]2C1 ZINC000371399246 180867702 /nfs/dbraw/zinc/86/77/02/180867702.db2.gz YKUSGTVYLKBNMQ-CMPLNLGQSA-N 0 3 236.319 0.816 20 0 BCADHN CCOC[C@@H](C)N[C@@H](C)C(=O)N(C)CC ZINC000188490920 353174546 /nfs/dbraw/zinc/17/45/46/353174546.db2.gz AZNFYRGNNHYCDF-ZJUUUORDSA-N 0 3 216.325 0.868 20 0 BCADHN Cc1cnc(CNCCc2nnc(C)[nH]2)o1 ZINC000638969136 353175852 /nfs/dbraw/zinc/17/58/52/353175852.db2.gz QXDFTINTBOHKSR-UHFFFAOYSA-N 0 3 221.264 0.742 20 0 BCADHN CCC[C@H]1CNCCN1c1ccc(C(N)=O)cn1 ZINC000420228860 192179127 /nfs/dbraw/zinc/17/91/27/192179127.db2.gz GAQORQKYQAXHEF-NSHDSACASA-N 0 3 248.330 0.759 20 0 BCADHN CNC(=O)CCN1CCCC[C@H]1CNC(C)=O ZINC000626155359 538109975 /nfs/dbraw/zinc/10/99/75/538109975.db2.gz MJAOZXRKDSAERN-NSHDSACASA-N 0 3 241.335 0.113 20 0 BCADHN Cc1ncc([C@H](C)NC(=O)[C@H](C)N)s1 ZINC000638974287 353180006 /nfs/dbraw/zinc/18/00/06/353180006.db2.gz NONBRMFHGKCLRP-WDSKDSINSA-N 0 3 213.306 0.976 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@@H]1CCOC1 ZINC000188503261 353181008 /nfs/dbraw/zinc/18/10/08/353181008.db2.gz HXSPLPQJENONLA-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@@H]1CCOC1 ZINC000188503244 353181071 /nfs/dbraw/zinc/18/10/71/353181071.db2.gz HXSPLPQJENONLA-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN O=C(Nc1cnn2c1CCCC2)[C@H]1CCN1 ZINC000638978733 353185546 /nfs/dbraw/zinc/18/55/46/353185546.db2.gz NEUHBTNOYJOATQ-MRVPVSSYSA-N 0 3 220.276 0.520 20 0 BCADHN C[C@H](N)C(=O)Nc1cnn2c1CCCC2 ZINC000638978814 353186234 /nfs/dbraw/zinc/18/62/34/353186234.db2.gz PQRGLIOEIFOYBG-ZETCQYMHSA-N 0 3 208.265 0.505 20 0 BCADHN Cc1cc(N)cc(NC(=O)C[C@H]2CNCCO2)c1 ZINC000638981156 353190718 /nfs/dbraw/zinc/19/07/18/353190718.db2.gz BYKPJFOTDILFTD-LBPRGKRZSA-N 0 3 249.314 0.894 20 0 BCADHN CC(C)CNC(=O)CN[C@H]1CCC[C@]1(C)CO ZINC000331030697 353216930 /nfs/dbraw/zinc/21/69/30/353216930.db2.gz ZGDNEXNXDSQBGL-WCQYABFASA-N 0 3 242.363 0.899 20 0 BCADHN CCN1CCC[C@H](NC(=O)Cc2ccon2)C1 ZINC000330965537 353205420 /nfs/dbraw/zinc/20/54/20/353205420.db2.gz RDYRPHYNRIOZNB-NSHDSACASA-N 0 3 237.303 0.818 20 0 BCADHN CCCN1CC[C@H](NS(=O)(=O)CCC)C1 ZINC000308751870 538110762 /nfs/dbraw/zinc/11/07/62/538110762.db2.gz QPUVODVXHFJOBW-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN CC[C@@H](N)C(=O)Nc1c2c(nn1C)CCCC2 ZINC000638988482 353220055 /nfs/dbraw/zinc/22/00/55/353220055.db2.gz FJYSAMJDMGBANJ-SECBINFHSA-N 0 3 236.319 0.975 20 0 BCADHN CC(C)CC[C@H](O)CN1CC[C@H](NC(N)=O)C1 ZINC000331117371 353220181 /nfs/dbraw/zinc/22/01/81/353220181.db2.gz MQXGRRVCQVSAMY-QWRGUYRKSA-N 0 3 243.351 0.940 20 0 BCADHN CC[C@H](N)C(=O)Nc1c2c(nn1C)CCCC2 ZINC000638988483 353220322 /nfs/dbraw/zinc/22/03/22/353220322.db2.gz FJYSAMJDMGBANJ-VIFPVBQESA-N 0 3 236.319 0.975 20 0 BCADHN CCc1nn(C)cc1CNCCC(=O)NC ZINC000162715220 538111887 /nfs/dbraw/zinc/11/18/87/538111887.db2.gz LSVCBVLPVZTTSR-UHFFFAOYSA-N 0 3 224.308 0.208 20 0 BCADHN NCC(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000638993257 353231498 /nfs/dbraw/zinc/23/14/98/353231498.db2.gz WFALSDGHCMXMAA-JTQLQIEISA-N 0 3 226.320 0.801 20 0 BCADHN NCC(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000639000240 353248172 /nfs/dbraw/zinc/24/81/72/353248172.db2.gz PUPHRKWVRHVLIN-GXSJLCMTSA-N 0 3 212.293 0.409 20 0 BCADHN CN1CC=C(CNC(=O)C[C@@H]2CCCO2)CC1 ZINC000343255109 353251687 /nfs/dbraw/zinc/25/16/87/353251687.db2.gz VAJJCXGOEXAHKZ-LBPRGKRZSA-N 0 3 238.331 0.934 20 0 BCADHN CC[C@@H](O)CC(=O)N[C@H]1CCCN(CC)C1 ZINC000331330136 353241284 /nfs/dbraw/zinc/24/12/84/353241284.db2.gz QRQZWZRSOKOGKB-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN CCC[C@@]1(C)C(=O)NCCN1C(=O)[C@H](C)NC ZINC000639016670 353273881 /nfs/dbraw/zinc/27/38/81/353273881.db2.gz MTMQTUIXTHDBAU-CABZTGNLSA-N 0 3 241.335 0.112 20 0 BCADHN CO[C@@]1(CNCc2cc(C)nn2C)CCOC1 ZINC000160331848 353261679 /nfs/dbraw/zinc/26/16/79/353261679.db2.gz CPZDLUHQSZIFCX-GFCCVEGCSA-N 0 3 239.319 0.624 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)C[C@H]1CCCO1 ZINC000157222287 353263425 /nfs/dbraw/zinc/26/34/25/353263425.db2.gz QKFYMQPWPWPHCG-IWSPIJDZSA-N 0 3 200.282 0.407 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NC1(C)CCOCC1 ZINC000639013105 353266975 /nfs/dbraw/zinc/26/69/75/353266975.db2.gz GFTSLVUOWGLARZ-SECBINFHSA-N 0 3 226.320 0.670 20 0 BCADHN CNC(=O)N[C@@H]1CCCN(CCOC)C1 ZINC000398863884 353268380 /nfs/dbraw/zinc/26/83/80/353268380.db2.gz ZVZRIQOOXROBRX-SECBINFHSA-N 0 3 215.297 0.026 20 0 BCADHN CC1(C)C[C@@H](N[C@H]2CCNC2=O)C(C)(C)O1 ZINC000189237203 353282029 /nfs/dbraw/zinc/28/20/29/353282029.db2.gz MKJCWRWTWDFHDF-DTWKUNHWSA-N 0 3 226.320 0.811 20 0 BCADHN O=C(N[C@@H]1CCCn2nccc21)[C@H]1CCCCN1 ZINC000639023617 353282466 /nfs/dbraw/zinc/28/24/66/353282466.db2.gz WTRQTMDDRVDVPV-GHMZBOCLSA-N 0 3 248.330 0.976 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000305157424 188233949 /nfs/dbraw/zinc/23/39/49/188233949.db2.gz QNUVWFBOCGNHSZ-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CO[C@@H](C)CN(C)C[C@@H](O)COCC(C)C ZINC000353225408 188234254 /nfs/dbraw/zinc/23/42/54/188234254.db2.gz DYLZPTKGUKVDNF-NWDGAFQWSA-N 0 3 233.352 0.987 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H]1CC[C@H](CO)O1 ZINC000353703080 188235139 /nfs/dbraw/zinc/23/51/39/188235139.db2.gz KTGOHXXJTIORCD-NWDGAFQWSA-N 0 3 239.319 0.358 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)N(C)CCN(C)C ZINC000354003310 188235517 /nfs/dbraw/zinc/23/55/17/188235517.db2.gz ZPAWQFHSFYZBGM-LLVKDONJSA-N 0 3 216.325 0.413 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000354688686 188236174 /nfs/dbraw/zinc/23/61/74/188236174.db2.gz VRIOPPCMHMUOES-JQWIXIFHSA-N 0 3 240.347 0.770 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000354625870 188236766 /nfs/dbraw/zinc/23/67/66/188236766.db2.gz TXZRPBIGRLOOMH-MXWKQRLJSA-N 0 3 228.336 0.602 20 0 BCADHN COC1(C(=O)NCCN(C)C2CC2)CCC1 ZINC000359043900 188240954 /nfs/dbraw/zinc/24/09/54/188240954.db2.gz RHUFKOQZHFJGOY-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)CO[C@@H]1CCN([C@@H]2COC[C@@H]2O)C1 ZINC000361318281 188243986 /nfs/dbraw/zinc/24/39/86/188243986.db2.gz JSGGEYNQTKARDJ-UTUOFQBUSA-N 0 3 229.320 0.493 20 0 BCADHN C=Cn1cc(CN2CC[C@H](CC(N)=O)C2)cn1 ZINC000367708592 188246108 /nfs/dbraw/zinc/24/61/08/188246108.db2.gz QRWQRZKKHICSJF-SNVBAGLBSA-N 0 3 234.303 0.681 20 0 BCADHN CC(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000368979374 188246172 /nfs/dbraw/zinc/24/61/72/188246172.db2.gz LLQXOMHZRPYONJ-ZDUSSCGKSA-N 0 3 239.363 0.492 20 0 BCADHN CC(=O)NCCCN1CC[C@H](n2cccn2)C1 ZINC000368269269 188246422 /nfs/dbraw/zinc/24/64/22/188246422.db2.gz HKWJLGIKRWKUJC-LBPRGKRZSA-N 0 3 236.319 0.656 20 0 BCADHN CC(C)N(C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000368571454 188246625 /nfs/dbraw/zinc/24/66/25/188246625.db2.gz CAEYTDHJALWRON-NSHDSACASA-N 0 3 225.336 0.243 20 0 BCADHN CC(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000368979373 188247033 /nfs/dbraw/zinc/24/70/33/188247033.db2.gz LLQXOMHZRPYONJ-CYBMUJFWSA-N 0 3 239.363 0.492 20 0 BCADHN CC(C)[C@H](O)CN1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000367924176 188247089 /nfs/dbraw/zinc/24/70/89/188247089.db2.gz BPEUKRBSLYKYPU-JHJVBQTASA-N 0 3 243.347 0.883 20 0 BCADHN CC1(C)CC[C@H](N2CCO[C@@H](C(N)=O)C2)C1 ZINC000368633723 188247280 /nfs/dbraw/zinc/24/72/80/188247280.db2.gz SEWNXFLHSJCYNM-VHSXEESVSA-N 0 3 226.320 0.751 20 0 BCADHN CC(C)N(C)CC(=O)N1CCCC[C@@H](CO)C1 ZINC000371272660 188248056 /nfs/dbraw/zinc/24/80/56/188248056.db2.gz GIFHHDYKXFWOII-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc[nH]n1 ZINC000120680170 188248703 /nfs/dbraw/zinc/24/87/03/188248703.db2.gz QLDPUCHLPNIASK-ONGXEEELSA-N 0 3 236.319 0.822 20 0 BCADHN CC(C)(O)CCN1CC[C@@H](n2cncn2)C1 ZINC000375327116 188250284 /nfs/dbraw/zinc/25/02/84/188250284.db2.gz HHESBCIHQIHQOY-SNVBAGLBSA-N 0 3 224.308 0.686 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H](C)CO ZINC000305188464 188251186 /nfs/dbraw/zinc/25/11/86/188251186.db2.gz JFXVALLQBXMXIK-SECBINFHSA-N 0 3 202.298 0.071 20 0 BCADHN CC(C)N(C)CC(=O)N1CCNC(=O)C[C@H]1C ZINC000377822918 188251385 /nfs/dbraw/zinc/25/13/85/188251385.db2.gz DJQDDCKKTLPEJV-SNVBAGLBSA-N 0 3 241.335 0.064 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@H](N)[C@@H](C)CC ZINC000251929404 353293991 /nfs/dbraw/zinc/29/39/91/353293991.db2.gz RBOPOCKUSXLUOM-HBNTYKKESA-N 0 3 230.352 0.885 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CCCOC2)[C@H](C)CN1 ZINC000251868761 353294002 /nfs/dbraw/zinc/29/40/02/353294002.db2.gz TVORWGYEBLEFNC-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCn2nccc21 ZINC000639034580 353307761 /nfs/dbraw/zinc/30/77/61/353307761.db2.gz KCRZBJDLYZQUCD-LLVKDONJSA-N 0 3 222.292 0.747 20 0 BCADHN CCCN[C@H](C)C(=O)N1CCn2nccc21 ZINC000639035184 353309359 /nfs/dbraw/zinc/30/93/59/353309359.db2.gz VYNLFULTXRVRSW-SECBINFHSA-N 0 3 222.292 0.618 20 0 BCADHN C[C@@H]1C[C@H](C)CN(C(=O)C[C@H]2CNCCO2)C1 ZINC000252166259 353296844 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/nfs/dbraw/zinc/32/63/63/188326363.db2.gz VRXXTWFWPSLCQV-LURJTMIESA-N 0 3 212.215 0.990 20 0 BCADHN C[C@@H](CCC1CC1)NCc1cnc(N)nc1N ZINC000639054732 353360786 /nfs/dbraw/zinc/36/07/86/353360786.db2.gz RFPFFGVEIPCPTK-QMMMGPOBSA-N 0 3 235.335 0.970 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)N[C@H](C)CN(C)C ZINC000358537334 188327740 /nfs/dbraw/zinc/32/77/40/188327740.db2.gz ZOSLBRNKFRPMRP-GHMZBOCLSA-N 0 3 245.367 0.643 20 0 BCADHN CC(C)N1CC[C@@H](N2CC[C@H](CO)C2)C1=O ZINC000305215451 188328464 /nfs/dbraw/zinc/32/84/64/188328464.db2.gz RAXBZPPLVRTDJF-WDEREUQCSA-N 0 3 226.320 0.310 20 0 BCADHN CCC(CC)[C@@H](O)CNCc1cnnn1C ZINC000165498084 353364484 /nfs/dbraw/zinc/36/44/84/353364484.db2.gz DHKKNKWKJVFRDC-NSHDSACASA-N 0 3 226.324 0.702 20 0 BCADHN Cc1nn(C)cc1CNCCNC(=O)C(C)C ZINC000125928237 188330538 /nfs/dbraw/zinc/33/05/38/188330538.db2.gz BXLPKUVKAUPCKP-UHFFFAOYSA-N 0 3 238.335 0.590 20 0 BCADHN CN1CC[C@](O)(CNCc2ccns2)C1 ZINC000639049043 353340725 /nfs/dbraw/zinc/34/07/25/353340725.db2.gz GXZFOSCHLACVIM-JTQLQIEISA-N 0 3 227.333 0.299 20 0 BCADHN C[C@@H]1CN(C(=O)C[C@H]2CCCO2)[C@@H](C)CN1 ZINC000226752149 188331482 /nfs/dbraw/zinc/33/14/82/188331482.db2.gz PNKMHHLJKXOPES-OUAUKWLOSA-N 0 3 226.320 0.764 20 0 BCADHN CN(C(=O)Cc1ccon1)[C@@H]1CCCN(C)C1 ZINC000073988449 353344328 /nfs/dbraw/zinc/34/43/28/353344328.db2.gz NSVJQUFFGVVIEE-LLVKDONJSA-N 0 3 237.303 0.770 20 0 BCADHN COc1ccc(CN(C)C(=O)[C@H](C)N)cc1O ZINC000155228753 188334082 /nfs/dbraw/zinc/33/40/82/188334082.db2.gz XPBQIOCHOOEILK-QMMMGPOBSA-N 0 3 238.287 0.706 20 0 BCADHN CCN(CCO)CCNCc1cc(C)ns1 ZINC000639053987 353352896 /nfs/dbraw/zinc/35/28/96/353352896.db2.gz MZYOJLJDVQCEIJ-UHFFFAOYSA-N 0 3 243.376 0.855 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@H]1CSCN1 ZINC000163478933 353353222 /nfs/dbraw/zinc/35/32/22/353353222.db2.gz IZHMSNQDJUJRCI-VHSXEESVSA-N 0 3 243.376 0.249 20 0 BCADHN C=Cn1cc(CN[C@H](CCO)COC)cn1 ZINC000219386523 188355899 /nfs/dbraw/zinc/35/58/99/188355899.db2.gz AEBSBWXVVZTASL-LLVKDONJSA-N 0 3 225.292 0.471 20 0 BCADHN C[C@](O)(CO)CNCc1cccc(F)c1 ZINC000085252454 538116279 /nfs/dbraw/zinc/11/62/79/538116279.db2.gz OENJRYVLRBETMG-LLVKDONJSA-N 0 3 213.252 0.659 20 0 BCADHN Cc1nccn1CCCN(C)[C@@H]1CCNC1=O ZINC000179304783 188343942 /nfs/dbraw/zinc/34/39/42/188343942.db2.gz BFIUUSKLLUTMFD-LLVKDONJSA-N 0 3 236.319 0.402 20 0 BCADHN CC(C)N(C)CC(=O)N(C)[C@H]1CCOC1 ZINC000106838835 188344487 /nfs/dbraw/zinc/34/44/87/188344487.db2.gz QQVNBSPMZWYORX-JTQLQIEISA-N 0 3 214.309 0.574 20 0 BCADHN C[C@H]1CN(C)CCN1CCn1ccnc1 ZINC000336647307 188357873 /nfs/dbraw/zinc/35/78/73/188357873.db2.gz LZBGINPYNVQRKV-NSHDSACASA-N 0 3 208.309 0.519 20 0 BCADHN CCN(C)C(=O)CNC1CC(n2cccn2)C1 ZINC000639064991 353375476 /nfs/dbraw/zinc/37/54/76/353375476.db2.gz FEZHDSLIMDAFRN-UHFFFAOYSA-N 0 3 236.319 0.655 20 0 BCADHN Cc1ccc(CNC[C@@](C)(O)CO)s1 ZINC000085251437 538116439 /nfs/dbraw/zinc/11/64/39/538116439.db2.gz WBJNABZLFXMJAC-SNVBAGLBSA-N 0 3 215.318 0.889 20 0 BCADHN CCCNC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085631596 491050472 /nfs/dbraw/zinc/05/04/72/491050472.db2.gz WMMUQWKKNOCESH-JLLWLGSASA-N 0 3 240.347 0.916 20 0 BCADHN Cc1ncncc1C(=O)N(C)CCN(C)C ZINC000267135051 188373280 /nfs/dbraw/zinc/37/32/80/188373280.db2.gz SLPOWKTXFZYHFS-UHFFFAOYSA-N 0 3 222.292 0.419 20 0 BCADHN CC(C)N1CCN(C(=O)[C@H](N)CC(F)F)CC1 ZINC000336723482 188359600 /nfs/dbraw/zinc/35/96/00/188359600.db2.gz UDCVHLHFNPAMDB-SECBINFHSA-N 0 3 249.305 0.522 20 0 BCADHN CC(C)(C[NH3+])NC(=O)c1ccccc1[O-] ZINC000063020347 188361375 /nfs/dbraw/zinc/36/13/75/188361375.db2.gz UPCVDBFQOFZTND-UHFFFAOYSA-N 0 3 208.261 0.859 20 0 BCADHN COC1CC(NCC2(S(C)(=O)=O)CC2)C1 ZINC000308957267 491050843 /nfs/dbraw/zinc/05/08/43/491050843.db2.gz QZKHDWKJCDPNBK-UHFFFAOYSA-N 0 3 233.333 0.331 20 0 BCADHN COC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H](C)N(C)C ZINC000412392895 191278359 /nfs/dbraw/zinc/27/83/59/191278359.db2.gz GBKVRVYLSLRAHH-IVZWLZJFSA-N 0 3 242.319 0.252 20 0 BCADHN N[C@H](C(=O)NC[C@@H]1CCCOC1)C1CCC1 ZINC000398974170 353402054 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/nfs/dbraw/zinc/37/60/42/188376042.db2.gz CODZCDZXOKAKIB-CMPLNLGQSA-N 0 3 228.336 0.903 20 0 BCADHN CCC[C@H](CN1CCN(CCO)[C@@H](C)C1)OC ZINC000639092046 353454307 /nfs/dbraw/zinc/45/43/07/353454307.db2.gz NANVZVAHKCCKQY-QWHCGFSZSA-N 0 3 244.379 0.800 20 0 BCADHN C=Cn1cc(CN2CC[C@@]3(CNC(=O)C3)C2)cn1 ZINC000279505723 188381995 /nfs/dbraw/zinc/38/19/95/188381995.db2.gz WQKHYHQMWKDWQW-CYBMUJFWSA-N 0 3 246.314 0.696 20 0 BCADHN O=C1C[C@]2(CCN(Cc3ccccn3)C2)CN1 ZINC000278968482 188382208 /nfs/dbraw/zinc/38/22/08/188382208.db2.gz XOABJUJNEOFZET-CYBMUJFWSA-N 0 3 231.299 0.794 20 0 BCADHN C=Cn1cc(CNCCCC(=O)NC)cn1 ZINC000278907594 188382596 /nfs/dbraw/zinc/38/25/96/188382596.db2.gz RWUCBDNMAUTWFQ-UHFFFAOYSA-N 0 3 222.292 0.599 20 0 BCADHN C=Cn1cc(CN[C@H](CO)CCOC)cn1 ZINC000282264792 188385082 /nfs/dbraw/zinc/38/50/82/188385082.db2.gz PMEPWQCNQAUIAU-NSHDSACASA-N 0 3 225.292 0.471 20 0 BCADHN CN1CCC(C(=O)NC(C)(C)CO)CC1 ZINC000351464780 133970936 /nfs/dbraw/zinc/97/09/36/133970936.db2.gz XGKDVDUSKRPUGE-UHFFFAOYSA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)[C@@](C)(NCCn1cccn1)C(N)=O ZINC000289034471 188388378 /nfs/dbraw/zinc/38/83/78/188388378.db2.gz BBPVNRIKMVJDTO-LLVKDONJSA-N 0 3 224.308 0.373 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@H](N)C(C)C)CC[C@@H]1C ZINC000230242793 353482007 /nfs/dbraw/zinc/48/20/07/353482007.db2.gz ZYUXFLKIYNDPKG-HBNTYKKESA-N 0 3 228.336 0.853 20 0 BCADHN CO[C@H]1CN(C(=O)[C@H](N)C(C)C)CC[C@@H]1C ZINC000230242797 353482261 /nfs/dbraw/zinc/48/22/61/353482261.db2.gz ZYUXFLKIYNDPKG-GARJFASQSA-N 0 3 228.336 0.853 20 0 BCADHN CC(C)COC[C@@H](O)CN1CCC[C@H](O)C1 ZINC000301317070 188396948 /nfs/dbraw/zinc/39/69/48/188396948.db2.gz YBQFSKWZISBBSN-RYUDHWBXSA-N 0 3 231.336 0.477 20 0 BCADHN CC(C)[C@H](CCO)NCc1nccn1C ZINC000164858826 188399378 /nfs/dbraw/zinc/39/93/78/188399378.db2.gz ZNIRFJQUVRQIQR-JTQLQIEISA-N 0 3 211.309 0.917 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)N[C@H]1CCCOC1 ZINC000252352879 363230342 /nfs/dbraw/zinc/23/03/42/363230342.db2.gz OFQSJBQPMUJQCE-WDEREUQCSA-N 0 3 241.335 0.559 20 0 BCADHN CNC(=O)CCCNCc1cnc(OC)s1 ZINC000398396712 363230408 /nfs/dbraw/zinc/23/04/08/363230408.db2.gz LVLQNUDOVWMHQE-UHFFFAOYSA-N 0 3 243.332 0.768 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCCS1)N(C)C ZINC000412389369 191281972 /nfs/dbraw/zinc/28/19/72/191281972.db2.gz YZWMQFBNHTXTMN-IUCAKERBSA-N 0 3 216.350 0.948 20 0 BCADHN CCC[C@@H](O)[C@H](CO)NCc1cnc(C)n1C ZINC000572498356 324134655 /nfs/dbraw/zinc/13/46/55/324134655.db2.gz PZVCMUXCOGLEMM-NWDGAFQWSA-N 0 3 241.335 0.340 20 0 BCADHN CO[C@](C)(CN1C[C@H](CO)O[C@@H](C)C1)C1CC1 ZINC000639094670 353478637 /nfs/dbraw/zinc/47/86/37/353478637.db2.gz TUEYFQBNPRCXLL-CYZMBNFOSA-N 0 3 243.347 0.883 20 0 BCADHN CC(=O)N1CCN(CC[C@H](C)O)C(C)(C)C1 ZINC000336263813 188410670 /nfs/dbraw/zinc/41/06/70/188410670.db2.gz CUGLQNLKMRTYTE-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN CCN(CC)C(=O)C(C)S(=O)(=O)CC ZINC000193277999 353579295 /nfs/dbraw/zinc/57/92/95/353579295.db2.gz GUMOBHGBLOKYMG-MRVPVSSYSA-N 0 3 221.322 0.678 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000334514254 353579446 /nfs/dbraw/zinc/57/94/46/353579446.db2.gz HTDLMFBHSQZXGD-GHMZBOCLSA-N 0 3 227.352 0.535 20 0 BCADHN CCN(CC)C(=O)C(C)S(=O)(=O)CC ZINC000193278012 353579601 /nfs/dbraw/zinc/57/96/01/353579601.db2.gz GUMOBHGBLOKYMG-QMMMGPOBSA-N 0 3 221.322 0.678 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@H](F)C1 ZINC000334514927 353593975 /nfs/dbraw/zinc/59/39/75/353593975.db2.gz GUCKFBKZMSHMMT-IUCAKERBSA-N 0 3 217.288 0.690 20 0 BCADHN CC[C@@H]1CCCN1C(=O)[C@@H](CN)OC ZINC000227369560 363234949 /nfs/dbraw/zinc/23/49/49/363234949.db2.gz LSGHLJMEZKIWJU-RKDXNWHRSA-N 0 3 200.282 0.361 20 0 BCADHN C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)C ZINC000192903882 353566367 /nfs/dbraw/zinc/56/63/67/353566367.db2.gz HDJSEEJMFSAAQT-SECBINFHSA-N 0 3 243.351 0.215 20 0 BCADHN O=C(CN[C@@H]1CCOC1)NCc1ccco1 ZINC000165715895 353567890 /nfs/dbraw/zinc/56/78/90/353567890.db2.gz RPOGMABASPKXBP-SECBINFHSA-N 0 3 224.260 0.274 20 0 BCADHN CNCC(=O)N[C@@H](C)[C@H](O)Cc1ccccc1 ZINC000193136149 353571490 /nfs/dbraw/zinc/57/14/90/353571490.db2.gz UNXFAIRZVRVGID-CMPLNLGQSA-N 0 3 236.315 0.314 20 0 BCADHN C(N[C@@H]1CCOC1)[C@H]1CN(C2CC2)CCO1 ZINC000165757432 353622667 /nfs/dbraw/zinc/62/26/67/353622667.db2.gz LQAUSGAGVXJACU-PWSUYJOCSA-N 0 3 226.320 0.228 20 0 BCADHN Cc1cc(NC(=O)NCCN(C)C)n(C)n1 ZINC000194263315 353634040 /nfs/dbraw/zinc/63/40/40/353634040.db2.gz KOTGOFHTYNDIJJ-UHFFFAOYSA-N 0 3 225.296 0.412 20 0 BCADHN CN(C(=O)C12CCCN1CCC2)[C@H]1CCOC1 ZINC000334515420 353609642 /nfs/dbraw/zinc/60/96/42/353609642.db2.gz RYIOWJJHZQFSAX-NSHDSACASA-N 0 3 238.331 0.862 20 0 BCADHN CCOCCNC(=O)N[C@H]1CCCN(CC)C1 ZINC000194141276 353613144 /nfs/dbraw/zinc/61/31/44/353613144.db2.gz SIAPYRAAUFYZMJ-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN C[C@@H](CO)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000345385998 353668096 /nfs/dbraw/zinc/66/80/96/353668096.db2.gz MLDSJIWGFINTIM-JQWIXIFHSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@@]1(O)CCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343319365 353673460 /nfs/dbraw/zinc/67/34/60/353673460.db2.gz ZUMYSWPGYXQAFU-FRRDWIJNSA-N 0 3 240.347 0.306 20 0 BCADHN CC[C@H](C)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000334519869 353675532 /nfs/dbraw/zinc/67/55/32/353675532.db2.gz RSYRHVASZNFBCD-DTWKUNHWSA-N 0 3 220.338 0.538 20 0 BCADHN CO[C@H](CN)C(=O)NCC1(C2CC2)CCC1 ZINC000393349279 324185531 /nfs/dbraw/zinc/18/55/31/324185531.db2.gz NOQQMXCMQRHJFW-SNVBAGLBSA-N 0 3 226.320 0.657 20 0 BCADHN CNC(=O)[C@@H](N[C@@H](C)[C@H](C)OC)C(C)C ZINC000639111556 353698031 /nfs/dbraw/zinc/69/80/31/353698031.db2.gz HSVWUVJBSQSIQJ-GUBZILKMSA-N 0 3 216.325 0.770 20 0 BCADHN COc1ccc(CNC[C@@]2(O)CCOC2)cn1 ZINC000232163428 353698988 /nfs/dbraw/zinc/69/89/88/353698988.db2.gz XKLUGSOJHLZUBJ-LBPRGKRZSA-N 0 3 238.287 0.331 20 0 BCADHN CNC(=O)[C@@H](N[C@@H](C)[C@H]1CCCO1)C(C)C ZINC000639112987 353709772 /nfs/dbraw/zinc/70/97/72/353709772.db2.gz WBRSLLMCBCZUBU-AXFHLTTASA-N 0 3 228.336 0.914 20 0 BCADHN C[C@]1(O)CCN(CCOC[C@H]2CCCO2)C1 ZINC000577920035 366101763 /nfs/dbraw/zinc/10/17/63/366101763.db2.gz JWAZVQBJXYNGCS-NEPJUHHUSA-N 0 3 229.320 0.639 20 0 BCADHN CCCN(C)CC(=O)N1CCCO[C@@H](CF)C1 ZINC000412444391 191285751 /nfs/dbraw/zinc/28/57/51/191285751.db2.gz GAUCFQFGAAZEIB-NSHDSACASA-N 0 3 246.326 0.915 20 0 BCADHN CCO[C@@H](C)C(=O)NCCCN(C)CCOC ZINC000343331259 353746297 /nfs/dbraw/zinc/74/62/97/353746297.db2.gz DRASCGXHNYLJSJ-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)c1nnc(C)[nH]1 ZINC000343339465 353797249 /nfs/dbraw/zinc/79/72/49/353797249.db2.gz DKHRRMPSZNKZFD-QMMMGPOBSA-N 0 3 239.323 0.632 20 0 BCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCCC1CC1 ZINC000577942979 366117910 /nfs/dbraw/zinc/11/79/10/366117910.db2.gz BDDWUOSMPLAMRK-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN CCC[C@@](C)(O)C(=O)NCC1=CCN(C)CC1 ZINC000343347810 353841302 /nfs/dbraw/zinc/84/13/02/353841302.db2.gz SBOYRVZCPCGSTE-CYBMUJFWSA-N 0 3 240.347 0.916 20 0 BCADHN Fc1cncc(CN[C@H]2CCc3ncnn3C2)c1 ZINC000332584599 181021286 /nfs/dbraw/zinc/02/12/86/181021286.db2.gz DEIWHISMTGEKDP-NSHDSACASA-N 0 3 247.277 0.917 20 0 BCADHN CCOCC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343460356 353896114 /nfs/dbraw/zinc/89/61/14/353896114.db2.gz RQMYXENICMCIRY-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000343411020 353879191 /nfs/dbraw/zinc/87/91/91/353879191.db2.gz CNZJIXCOWPDQCF-BBBLOLIVSA-N 0 3 242.319 0.381 20 0 BCADHN COCCOCC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343429712 353882762 /nfs/dbraw/zinc/88/27/62/353882762.db2.gz FOLNXOQUUMUXGK-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)C2(C)COC2)CCCN1C ZINC000343445543 353890727 /nfs/dbraw/zinc/89/07/27/353890727.db2.gz NXEUHFZCECEIMK-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1CCCCCC1 ZINC000343452762 353893775 /nfs/dbraw/zinc/89/37/75/353893775.db2.gz CZZKMYZKYMMLKO-JTQLQIEISA-N 0 3 242.319 0.670 20 0 BCADHN O=C1NC[C@@H]2[C@H]1CCCN2CCC[C@@H]1CCO1 ZINC000639133140 353842468 /nfs/dbraw/zinc/84/24/68/353842468.db2.gz ZKHFKUANKDSKEQ-IJLUTSLNSA-N 0 3 238.331 0.766 20 0 BCADHN CC(C)(CNCCF)N1CCOCC1 ZINC000639133238 353842489 /nfs/dbraw/zinc/84/24/89/353842489.db2.gz KFPMUMDDYYZSLM-UHFFFAOYSA-N 0 3 204.289 0.656 20 0 BCADHN C[C@@H]1CCC[C@@H]1CNCc1cnc(N)nc1N ZINC000639135199 353845164 /nfs/dbraw/zinc/84/51/64/353845164.db2.gz RWDAGEOQMPHPLW-RKDXNWHRSA-N 0 3 235.335 0.828 20 0 BCADHN CC[C@H](C)[C@H](CN(C)CCOCCO)OC ZINC000639140068 353848990 /nfs/dbraw/zinc/84/89/90/353848990.db2.gz SPZHQTJNBDMJLO-RYUDHWBXSA-N 0 3 233.352 0.988 20 0 BCADHN CC[C@@H](C)[C@H](CN(C)CCOCCO)OC ZINC000639140066 353849049 /nfs/dbraw/zinc/84/90/49/353849049.db2.gz SPZHQTJNBDMJLO-NEPJUHHUSA-N 0 3 233.352 0.988 20 0 BCADHN OC[C@]1(F)CCN(CCC[C@@H]2CCO2)C1 ZINC000639145671 353851825 /nfs/dbraw/zinc/85/18/25/353851825.db2.gz VLMQCJBJXJXLRI-MNOVXSKESA-N 0 3 217.284 0.962 20 0 BCADHN COCCC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343462434 353896920 /nfs/dbraw/zinc/89/69/20/353896920.db2.gz UFSCNOHAGNMTRO-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@](C)(CN[C@H](C)C(=O)NCCF)OC ZINC000639138371 353854813 /nfs/dbraw/zinc/85/48/13/353854813.db2.gz WBJCEZRJOSFSHU-KOLCDFICSA-N 0 3 234.315 0.865 20 0 BCADHN CN(CCOCCO)Cc1ccc(=O)[nH]c1 ZINC000639139344 353856013 /nfs/dbraw/zinc/85/60/13/353856013.db2.gz JNQSURBTWVUZIX-UHFFFAOYSA-N 0 3 226.276 0.228 20 0 BCADHN CCOC(=O)CC(=O)N(C)CCN1CCCC1 ZINC000343494441 353910539 /nfs/dbraw/zinc/91/05/39/353910539.db2.gz QALFLMOHTKIASY-UHFFFAOYSA-N 0 3 242.319 0.494 20 0 BCADHN CC[C@H](C(=O)N(C)CCC(N)=O)N(CC)CC ZINC000343496389 353912537 /nfs/dbraw/zinc/91/25/37/353912537.db2.gz VKZOYEOXMSZGMP-SNVBAGLBSA-N 0 3 243.351 0.441 20 0 BCADHN Cc1ncncc1C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343545015 353918686 /nfs/dbraw/zinc/91/86/86/353918686.db2.gz NSHYCGBJZBDBHF-CMPLNLGQSA-N 0 3 248.330 0.998 20 0 BCADHN CCCN1CCC[C@H]1CNC(=O)[C@@H](C)O ZINC000343555226 353920421 /nfs/dbraw/zinc/92/04/21/353920421.db2.gz ALEYQVXOHZROAI-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@H]1[C@H](NC(=O)Cc2ccon2)CCCN1C ZINC000343508201 353922477 /nfs/dbraw/zinc/92/24/77/353922477.db2.gz OBKTUBBANBOHKP-GXSJLCMTSA-N 0 3 237.303 0.816 20 0 BCADHN COCCN(C)C(=O)CN(C)C(C)C ZINC000343507917 353922793 /nfs/dbraw/zinc/92/27/93/353922793.db2.gz OJFYZCORKADUCS-UHFFFAOYSA-N 0 3 202.298 0.431 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343510254 353923895 /nfs/dbraw/zinc/92/38/95/353923895.db2.gz PBMHCICBFDUEEL-WCABBAIRSA-N 0 3 241.335 0.110 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NC[C@@H](C)SC ZINC000343530725 353928803 /nfs/dbraw/zinc/92/88/03/353928803.db2.gz OWLOJJITKVDPIY-SFYZADRCSA-N 0 3 248.348 0.135 20 0 BCADHN CCN1C[C@H](C)[C@H](NCc2nncn2CC)C1 ZINC000343570869 353937346 /nfs/dbraw/zinc/93/73/46/353937346.db2.gz AVRJJDDWGBGJKE-WDEREUQCSA-N 0 3 237.351 0.728 20 0 BCADHN CCN1C[C@@H](C)[C@H](NCc2nncn2CC)C1 ZINC000343570866 353937817 /nfs/dbraw/zinc/93/78/17/353937817.db2.gz AVRJJDDWGBGJKE-GHMZBOCLSA-N 0 3 237.351 0.728 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](CO)CC1CC1)N(C)C ZINC000619042415 363270540 /nfs/dbraw/zinc/27/05/40/363270540.db2.gz SIXVHRPSNFDFHU-NWDGAFQWSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H](O)CN1CCN(C[C@@H](O)C(C)(C)C)CC1 ZINC000343695822 353965831 /nfs/dbraw/zinc/96/58/31/353965831.db2.gz QUFXZOKXHAFPAB-VXGBXAGGSA-N 0 3 244.379 0.392 20 0 BCADHN COC[C@@H](C)NC(=O)NCC1=CCN(C)CC1 ZINC000343694099 353965847 /nfs/dbraw/zinc/96/58/47/353965847.db2.gz ODGPYXYDVCDKRX-SNVBAGLBSA-N 0 3 241.335 0.582 20 0 BCADHN COC[C@H](C)NC(=O)NCC1=CCN(C)CC1 ZINC000343694098 353965945 /nfs/dbraw/zinc/96/59/45/353965945.db2.gz ODGPYXYDVCDKRX-JTQLQIEISA-N 0 3 241.335 0.582 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H](O)C(F)(F)F ZINC000343744552 353970479 /nfs/dbraw/zinc/97/04/79/353970479.db2.gz NRBKNFOJHPOOKW-ZETCQYMHSA-N 0 3 242.241 0.366 20 0 BCADHN C[C@H]1[C@H](C)N(CCN2CCNC2=O)CCN1C ZINC000343712913 353956341 /nfs/dbraw/zinc/95/63/41/353956341.db2.gz NPRYOLAGEKZOQZ-QWRGUYRKSA-N 0 3 240.351 0.036 20 0 BCADHN CN(C[C@@H](O)C(C)(C)C)[C@@]1(CO)CCOC1 ZINC000343722841 353958589 /nfs/dbraw/zinc/95/85/89/353958589.db2.gz MUCYZCKEOGDJOY-ZYHUDNBSSA-N 0 3 231.336 0.477 20 0 BCADHN CN(C[C@H](O)C(C)(C)C)[C@]1(CO)CCOC1 ZINC000343722839 353958817 /nfs/dbraw/zinc/95/88/17/353958817.db2.gz MUCYZCKEOGDJOY-JQWIXIFHSA-N 0 3 231.336 0.477 20 0 BCADHN C[C@H]1CN(C[C@@H](O)C(C)(C)C)CCN1CCO ZINC000343681871 353962985 /nfs/dbraw/zinc/96/29/85/353962985.db2.gz GPCMGHOWPKIDNC-NWDGAFQWSA-N 0 3 244.379 0.392 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC12CCC2 ZINC000343806867 354010326 /nfs/dbraw/zinc/01/03/26/354010326.db2.gz FZYMDCWXQIGORD-SNVBAGLBSA-N 0 3 213.277 0.539 20 0 BCADHN CCN1CCN(CCCNc2cnccn2)CC1 ZINC000642327125 363285431 /nfs/dbraw/zinc/28/54/31/363285431.db2.gz SCKQNWMIHNCFGO-UHFFFAOYSA-N 0 3 249.362 0.916 20 0 BCADHN CCCN(C)CC(=O)N(C)C[C@@H](C)OC ZINC000343873368 354029277 /nfs/dbraw/zinc/02/92/77/354029277.db2.gz UYKMQMDEJVXWMK-SNVBAGLBSA-N 0 3 216.325 0.822 20 0 BCADHN C[C@@H]1CC[C@H]1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343987399 354061505 /nfs/dbraw/zinc/06/15/05/354061505.db2.gz PNGFOCLWGYICMR-UTUOFQBUSA-N 0 3 237.347 0.291 20 0 BCADHN C[C@@H]1CC[C@H]1NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343987397 354061561 /nfs/dbraw/zinc/06/15/61/354061561.db2.gz PNGFOCLWGYICMR-IJLUTSLNSA-N 0 3 237.347 0.291 20 0 BCADHN COCCN(CCN1CCNC1=O)CC(C)C ZINC000343949876 354069208 /nfs/dbraw/zinc/06/92/08/354069208.db2.gz FMTIMJJHTBZPOR-UHFFFAOYSA-N 0 3 243.351 0.616 20 0 BCADHN COC(=O)C[C@H](C)C(=O)NC[C@H](C)N(C)C ZINC000343966330 354075946 /nfs/dbraw/zinc/07/59/46/354075946.db2.gz JCUZJDHSPXJUPD-IUCAKERBSA-N 0 3 230.308 0.252 20 0 BCADHN CN(C)C(=O)CN1CCC[C@@](C)(O)CC1 ZINC000230378886 363306370 /nfs/dbraw/zinc/30/63/70/363306370.db2.gz ZSWPSZMRHIWYRK-LLVKDONJSA-N 0 3 214.309 0.312 20 0 BCADHN C[C@H]1CCCN1CCN1C(=O)N[C@@H](C)C1=O ZINC000334565860 354086108 /nfs/dbraw/zinc/08/61/08/354086108.db2.gz YVGMBMGFANSRAQ-IUCAKERBSA-N 0 3 225.292 0.411 20 0 BCADHN CS[C@@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000334579964 354128292 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355621464 /nfs/dbraw/zinc/62/14/64/355621464.db2.gz BTJWOILIPLOJBP-JTQLQIEISA-N 0 3 214.309 0.431 20 0 BCADHN CC[C@@H](F)CN1CC[C@@]2(CNC(=O)C2)C1 ZINC000335862779 355625678 /nfs/dbraw/zinc/62/56/78/355625678.db2.gz FVQCXBYTLRPXKN-MWLCHTKSSA-N 0 3 214.284 0.947 20 0 BCADHN NC(=O)N[C@@H]1CCN(CCn2cccn2)C1 ZINC000330532027 181204366 /nfs/dbraw/zinc/20/43/66/181204366.db2.gz STPWJEFSDYWZNQ-SECBINFHSA-N 0 3 223.280 0.040 20 0 BCADHN O=C1CC[C@H]2CN(CC[C@@H]3CCCO3)CCN12 ZINC000335871049 355637163 /nfs/dbraw/zinc/63/71/63/355637163.db2.gz KHNRYRJBOYMZPC-RYUDHWBXSA-N 0 3 238.331 0.862 20 0 BCADHN CNCC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000237289238 355696262 /nfs/dbraw/zinc/69/62/62/355696262.db2.gz HKZORKHUGUSIFI-UHFFFAOYSA-N 0 3 243.288 0.017 20 0 BCADHN CCC[C@@H](CN1CCC(O)(CO)CC1)OC ZINC000639314420 355697977 /nfs/dbraw/zinc/69/79/77/355697977.db2.gz KFPVCRBMGHQLRL-NSHDSACASA-N 0 3 231.336 0.621 20 0 BCADHN COCCNCCNC(=O)N[C@H]1CC1(C)C ZINC000417223320 191781367 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/nfs/dbraw/zinc/77/16/70/355771670.db2.gz FQEDDJFSFSAVNS-JTQLQIEISA-N 0 3 236.319 0.661 20 0 BCADHN CC(C)(O)CC(=O)NCCN1CCCCC1 ZINC000330958488 191821343 /nfs/dbraw/zinc/82/13/43/191821343.db2.gz DEUFUYHAEGFGOM-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN C[C@@H](N[C@H]1CCNC1=O)[C@H]1CC1(F)F ZINC000639338718 355778907 /nfs/dbraw/zinc/77/89/07/355778907.db2.gz VFVPRWBBFNIHNJ-QYNIQEEDSA-N 0 3 204.220 0.508 20 0 BCADHN C[C@@H]1C[C@H](CN2CCN(C)C[C@H]2CO)CCO1 ZINC000639338379 355778943 /nfs/dbraw/zinc/77/89/43/355778943.db2.gz ZHGXCNKCRQAHNS-UPJWGTAASA-N 0 3 242.363 0.410 20 0 BCADHN CC[C@@](C)(CN(C)[C@@]1(CO)CCOC1)OC ZINC000639342268 355784795 /nfs/dbraw/zinc/78/47/95/355784795.db2.gz UCBZYLSLLJBCDK-NWDGAFQWSA-N 0 3 231.336 0.885 20 0 BCADHN CC[C@H](C)[C@H](CN(CCO)CCO)OC ZINC000639343853 355786619 /nfs/dbraw/zinc/78/66/19/355786619.db2.gz NIXGWRXBQQBTPL-QWRGUYRKSA-N 0 3 219.325 0.334 20 0 BCADHN CN1CCOC[C@H]1CNCc1ccncc1 ZINC000623710591 355788157 /nfs/dbraw/zinc/78/81/57/355788157.db2.gz IHMQSDQLAOSBMT-GFCCVEGCSA-N 0 3 221.304 0.502 20 0 BCADHN CCN1CCC[C@@H]1CNC(=S)NC ZINC000035082183 355798030 /nfs/dbraw/zinc/79/80/30/355798030.db2.gz FJBNQHGOSIWPCL-MRVPVSSYSA-N 0 3 201.339 0.565 20 0 BCADHN Cc1cc(CNC[C@@H]2COCCN2C)sn1 ZINC000639351290 355798076 /nfs/dbraw/zinc/79/80/76/355798076.db2.gz ADWUHNZHPYPIKR-SNVBAGLBSA-N 0 3 241.360 0.872 20 0 BCADHN CC[C@@](C)(CN[C@@H]1CCS(=O)(=O)[C@@H]1C)OC ZINC000639351373 355798961 /nfs/dbraw/zinc/79/89/61/355798961.db2.gz CPSRKEHXRMIZNU-MXWKQRLJSA-N 0 3 249.376 0.967 20 0 BCADHN Cc1nnsc1CNC[C@H]1COCCN1C ZINC000639352000 355801502 /nfs/dbraw/zinc/80/15/02/355801502.db2.gz JTEYQPCVBIBALA-VIFPVBQESA-N 0 3 242.348 0.267 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000639352772 355802050 /nfs/dbraw/zinc/80/20/50/355802050.db2.gz SIHMQNDPUIDSGT-AXTSPUMRSA-N 0 3 235.349 0.575 20 0 BCADHN Cc1nnsc1CNCCN1CC[C@H](O)C1 ZINC000639358243 355812626 /nfs/dbraw/zinc/81/26/26/355812626.db2.gz VSDZAHFTCFDQEE-VIFPVBQESA-N 0 3 242.348 0.003 20 0 BCADHN CC(C)(F)CN[C@H]1CCCNC(=O)C1 ZINC000639358390 355813152 /nfs/dbraw/zinc/81/31/52/355813152.db2.gz JYVMEJYRYSMGJK-QMMMGPOBSA-N 0 3 202.273 0.993 20 0 BCADHN CC(C)CC[C@H](O)CN1CC[C@H](CO)[C@@H](O)C1 ZINC000583622556 355854175 /nfs/dbraw/zinc/85/41/75/355854175.db2.gz NVQFNUALBGPNED-AGIUHOORSA-N 0 3 245.363 0.459 20 0 BCADHN OCCN(CCO)Cc1cccc2cc[nH]c21 ZINC000628369489 355874740 /nfs/dbraw/zinc/87/47/40/355874740.db2.gz DBJPWQSHHBNOTD-UHFFFAOYSA-N 0 3 234.299 0.955 20 0 BCADHN CC(C)CS(=O)(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000336042245 134062305 /nfs/dbraw/zinc/06/23/05/134062305.db2.gz PUTKTPOGOGSHEN-WDEREUQCSA-N 0 3 248.392 0.854 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1C ZINC000350978569 355934214 /nfs/dbraw/zinc/93/42/14/355934214.db2.gz OILZINQNNAUZEF-ZJUUUORDSA-N 0 3 228.336 0.746 20 0 BCADHN COCCCN(C)CCNC(=O)N1CC[C@@H]1C ZINC000608704948 355935236 /nfs/dbraw/zinc/93/52/36/355935236.db2.gz PSIZUZIAZYYTHL-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN Cc1sccc1CN(CCO)CCO ZINC000628370445 355881141 /nfs/dbraw/zinc/88/11/41/355881141.db2.gz SRPGNSCKTBJSQN-UHFFFAOYSA-N 0 3 215.318 0.843 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2cocn2)C1 ZINC000608613928 355883635 /nfs/dbraw/zinc/88/36/35/355883635.db2.gz YERUGEHINGVSMS-VIFPVBQESA-N 0 3 223.276 0.746 20 0 BCADHN O[C@@H](CNCC1(F)CC1)[C@H]1CCOC1 ZINC000389215397 355884386 /nfs/dbraw/zinc/88/43/86/355884386.db2.gz KEICZZSWHKBXNA-IUCAKERBSA-N 0 3 203.257 0.476 20 0 BCADHN CN1CCC[C@@H](NC(=O)N[C@H]2CCSC2)C1 ZINC000608648273 355888121 /nfs/dbraw/zinc/88/81/21/355888121.db2.gz QRGBIQVOHLOGHJ-ZJUUUORDSA-N 0 3 243.376 0.885 20 0 BCADHN CN(C)C(=O)C(C)(C)NCCC(C)(C)O ZINC000309064021 355989257 /nfs/dbraw/zinc/98/92/57/355989257.db2.gz YIUDLAGCDYHMSU-UHFFFAOYSA-N 0 3 216.325 0.604 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000367122480 355995425 /nfs/dbraw/zinc/99/54/25/355995425.db2.gz BIGSNSBAJURLRS-JCMPJRQWSA-N 0 3 238.331 0.788 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCC(C)(O)CC1)N(C)C ZINC000336055600 134066587 /nfs/dbraw/zinc/06/65/87/134066587.db2.gz VNUXYDONVDZFAZ-NSHDSACASA-N 0 3 242.363 0.946 20 0 BCADHN CCO[C@H]1C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC000582220458 355954071 /nfs/dbraw/zinc/95/40/71/355954071.db2.gz YRRWGPKSBSEDGD-VWYCJHECSA-N 0 3 228.336 0.866 20 0 BCADHN NC(=O)CCCNC(=O)C[C@H](N)c1ccccc1 ZINC000037660293 181221441 /nfs/dbraw/zinc/22/14/41/181221441.db2.gz DONVVHOIOCUZBK-NSHDSACASA-N 0 3 249.314 0.458 20 0 BCADHN CN(C[C@@H]1CCCC[C@H]1O)[C@H]1CCCNC1=O ZINC000351151905 355955101 /nfs/dbraw/zinc/95/51/01/355955101.db2.gz XVNSYGBBXGKWIA-SDDRHHMPSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1cn2c(n1)CC[C@@H](NC(=O)C(C)(C)N)C2 ZINC000167152997 355962012 /nfs/dbraw/zinc/96/20/12/355962012.db2.gz ADPWBELXHAYIQO-SECBINFHSA-N 0 3 236.319 0.360 20 0 BCADHN CC(C)(N)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000167179705 355963975 /nfs/dbraw/zinc/96/39/75/355963975.db2.gz NAUFHPUBXMRUAB-UHFFFAOYSA-N 0 3 236.319 0.853 20 0 BCADHN CCC[N@H+](C)CC(=O)N[C@@H](C)c1nnc[n-]1 ZINC000351632078 356037524 /nfs/dbraw/zinc/03/75/24/356037524.db2.gz UIMKADHGUBLCKB-QMMMGPOBSA-N 0 3 225.296 0.324 20 0 BCADHN CCC[N@@H+](C)CC(=O)N[C@@H](C)c1nnc[n-]1 ZINC000351632078 356037529 /nfs/dbraw/zinc/03/75/29/356037529.db2.gz UIMKADHGUBLCKB-QMMMGPOBSA-N 0 3 225.296 0.324 20 0 BCADHN C[C@@H](c1ccccn1)N1CC[C@](O)(C(N)=O)C1 ZINC000351637587 356039473 /nfs/dbraw/zinc/03/94/73/356039473.db2.gz APOCQVBYBSSYGT-JOYOIKCWSA-N 0 3 235.287 0.065 20 0 BCADHN NC(=O)CNC1(CCO)CCCCC1 ZINC000336665193 181235926 /nfs/dbraw/zinc/23/59/26/181235926.db2.gz UVHKTCLDVRBBMX-UHFFFAOYSA-N 0 3 200.282 0.147 20 0 BCADHN CCn1ncnc1CN(C)[C@@H]1CN2CCC1CC2 ZINC000639392688 356042637 /nfs/dbraw/zinc/04/26/37/356042637.db2.gz KQGGGHVOKZSPDH-GFCCVEGCSA-N 0 3 249.362 0.824 20 0 BCADHN NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000309563430 181236645 /nfs/dbraw/zinc/23/66/45/181236645.db2.gz KAWKYNWKBRNOEG-GDPRMGEGSA-N 0 3 224.304 0.409 20 0 BCADHN CC[C@](C)(CCO)NC(=O)CN(C)C(C)C ZINC000351656758 356046852 /nfs/dbraw/zinc/04/68/52/356046852.db2.gz FSNADCVBARKMCH-GFCCVEGCSA-N 0 3 230.352 0.994 20 0 BCADHN CNS(=O)(=O)NCCN(C)C1CCCCC1 ZINC000351667006 356049170 /nfs/dbraw/zinc/04/91/70/356049170.db2.gz XTYVJEPRKUTGGC-UHFFFAOYSA-N 0 3 249.380 0.305 20 0 BCADHN CNS(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000351670215 356050782 /nfs/dbraw/zinc/05/07/82/356050782.db2.gz BKRPBUIOMHYCME-UHFFFAOYSA-N 0 3 249.380 0.303 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC[C@H]1C1CCC1 ZINC000353141663 356009332 /nfs/dbraw/zinc/00/93/32/356009332.db2.gz GOLWUBCRSAVKGI-WDEREUQCSA-N 0 3 226.320 0.751 20 0 BCADHN NC(=O)CN1CCC[C@H](N2CCCCC2)C1 ZINC000107798877 181231924 /nfs/dbraw/zinc/23/19/24/181231924.db2.gz PSUMJJSAIKDXNK-NSHDSACASA-N 0 3 225.336 0.422 20 0 BCADHN CN(Cc1cnn(C)c1)[C@@H]1CN2CCC1CC2 ZINC000639397673 356106717 /nfs/dbraw/zinc/10/67/17/356106717.db2.gz NMONIEDVSSEFNM-CYBMUJFWSA-N 0 3 234.347 0.946 20 0 BCADHN CCN(C(=O)[C@H](O)C1CC1)[C@@H]1CCN(C)C1 ZINC000617551026 356106866 /nfs/dbraw/zinc/10/68/66/356106866.db2.gz 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LDHVYRMNQDUUON-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN CCN(C(=O)CCOC)[C@@H]1CCN(C)C1 ZINC000617555862 356113185 /nfs/dbraw/zinc/11/31/85/356113185.db2.gz DSWLVDXPMASPDU-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CCN(C(=O)c1ccnn1C)[C@@H]1CCN(C)C1 ZINC000617555977 356113271 /nfs/dbraw/zinc/11/32/71/356113271.db2.gz HASUADLEBOZVOU-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN CCN(C(=O)CCCC(N)=O)[C@H]1CCN(C)C1 ZINC000617556537 356113300 /nfs/dbraw/zinc/11/33/00/356113300.db2.gz SIDVAWPTPMTPFB-JTQLQIEISA-N 0 3 241.335 0.195 20 0 BCADHN CCN(C(=O)[C@@H](C)OC)[C@H]1CCN(C)C1 ZINC000617555947 356113346 /nfs/dbraw/zinc/11/33/46/356113346.db2.gz GOGJRCAYMOVSNH-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN CCN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCN(C)C1 ZINC000617561425 356118469 /nfs/dbraw/zinc/11/84/69/356118469.db2.gz KYWLCHQCMHDFTP-NNYUYHANSA-N 0 3 238.331 0.431 20 0 BCADHN CCN(C(=O)c1ccc(C)nn1)[C@H]1CCN(C)C1 ZINC000617562048 356118806 /nfs/dbraw/zinc/11/88/06/356118806.db2.gz ZPGSOESSIBFNJJ-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CCN(C(=O)COC)[C@H]1CCN(C)C1 ZINC000617561852 356118870 /nfs/dbraw/zinc/11/88/70/356118870.db2.gz VHECAFHEKPMTAA-VIFPVBQESA-N 0 3 200.282 0.185 20 0 BCADHN CCN(C(=O)C1CC(C)(O)C1)[C@@H]1CCN(C)C1 ZINC000617561988 356119034 /nfs/dbraw/zinc/11/90/34/356119034.db2.gz YDEYVOUPYFEZML-QWKFWESOSA-N 0 3 240.347 0.700 20 0 BCADHN CCN(C(=O)C1CC(C)(O)C1)[C@H]1CCN(C)C1 ZINC000617561987 356119381 /nfs/dbraw/zinc/11/93/81/356119381.db2.gz YDEYVOUPYFEZML-AKJDGMEZSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](C(=O)N1CCCNCC1)c1cnn(C)c1 ZINC000335911591 356125537 /nfs/dbraw/zinc/12/55/37/356125537.db2.gz RKNITPNHMCIOFE-SNVBAGLBSA-N 0 3 236.319 0.346 20 0 BCADHN C[C@H](F)CCN(C)CC(C)(CO)CO ZINC000351883077 356125679 /nfs/dbraw/zinc/12/56/79/356125679.db2.gz RZSJPLPCLMHDSI-VIFPVBQESA-N 0 3 207.289 0.657 20 0 BCADHN CC[C@H](C)CN(C)c1nc(N)nc(N)n1 ZINC000623960737 356077520 /nfs/dbraw/zinc/07/75/20/356077520.db2.gz GBEZICXLALFGQA-LURJTMIESA-N 0 3 210.285 0.179 20 0 BCADHN C[C@H](NCCn1ccnc1)c1ccnn1C ZINC000192250619 356078487 /nfs/dbraw/zinc/07/84/87/356078487.db2.gz KRKHQBRMLVFCHN-JTQLQIEISA-N 0 3 219.292 0.967 20 0 BCADHN CN(CCCCO)C(=O)[C@H]1CCCN1C ZINC000351789250 356086588 /nfs/dbraw/zinc/08/65/88/356086588.db2.gz KPAIDHJAEOYPFT-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN CCN1CCC(N(C)C(=O)[C@H](O)C(C)C)CC1 ZINC000351821716 356090824 /nfs/dbraw/zinc/09/08/24/356090824.db2.gz UDUQHMGXEQLTPI-GFCCVEGCSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H]1CN([C@@H]2CCN(C3CC3)C2=O)C[C@H]1O ZINC000351823689 356091910 /nfs/dbraw/zinc/09/19/10/356091910.db2.gz NLMNPOWEYYCGIU-FBIMIBRVSA-N 0 3 224.304 0.062 20 0 BCADHN CN(Cc1cnnn1C)[C@@H]1CN2CCC1CC2 ZINC000639396129 356097039 /nfs/dbraw/zinc/09/70/39/356097039.db2.gz IBGVWNUKZPFRPL-GFCCVEGCSA-N 0 3 235.335 0.341 20 0 BCADHN CCC[C@H](CNC(=O)N1CCCNCC1)OC ZINC000418255789 192005859 /nfs/dbraw/zinc/00/58/59/192005859.db2.gz MVQQCPAFZQUKDG-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN NC(=O)NC(=O)CN[C@@H]1CCC12CCCC2 ZINC000336255069 181254559 /nfs/dbraw/zinc/25/45/59/181254559.db2.gz RIAVALSEEAVBEV-MRVPVSSYSA-N 0 3 225.292 0.494 20 0 BCADHN Cn1cncc1CN1CC[C@](O)(C2CC2)C1 ZINC000336091923 134078712 /nfs/dbraw/zinc/07/87/12/134078712.db2.gz QYUCAYFAJYSJIK-GFCCVEGCSA-N 0 3 221.304 0.767 20 0 BCADHN C[C@@H]1CN(CCc2ccnn2C)C[C@H](C)N1C ZINC000335919935 356169632 /nfs/dbraw/zinc/16/96/32/356169632.db2.gz HHBNAMICQWABKJ-TXEJJXNPSA-N 0 3 236.363 0.987 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000167503999 356176160 /nfs/dbraw/zinc/17/61/60/356176160.db2.gz VNZSULYSYRWQMG-OUAUKWLOSA-N 0 3 228.336 0.652 20 0 BCADHN CNC(=O)CN1CCN(C)[C@H](C(C)C)C1 ZINC000336096237 134080206 /nfs/dbraw/zinc/08/02/06/134080206.db2.gz WGIDLXXEEUKVMH-JTQLQIEISA-N 0 3 213.325 0.004 20 0 BCADHN O=c1n(CCCN2CCCC2)nnn1C1CC1 ZINC000351885969 356139206 /nfs/dbraw/zinc/13/92/06/356139206.db2.gz PPVYYAVQPXXFTA-UHFFFAOYSA-N 0 3 237.307 0.261 20 0 BCADHN CC[C@H](CNC(=O)N1CCN[C@H](C)[C@H]1C)OC ZINC000418231539 192001582 /nfs/dbraw/zinc/00/15/82/192001582.db2.gz GNIRDOSHVXVWOZ-GMTAPVOTSA-N 0 3 243.351 0.803 20 0 BCADHN O=C([C@@H]1CCCN1C1CC1)N1CC[C@H](CO)C1 ZINC000336106195 134082504 /nfs/dbraw/zinc/08/25/04/134082504.db2.gz QOTZOXHVMXLRBJ-JQWIXIFHSA-N 0 3 238.331 0.454 20 0 BCADHN CC[C@@H](O)C[N@@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000332388366 356212537 /nfs/dbraw/zinc/21/25/37/356212537.db2.gz QQHAUXLNXVVKDG-RKDXNWHRSA-N 0 3 210.281 0.365 20 0 BCADHN CC[C@@H](O)C[N@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000332388366 356212540 /nfs/dbraw/zinc/21/25/40/356212540.db2.gz QQHAUXLNXVVKDG-RKDXNWHRSA-N 0 3 210.281 0.365 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000332432963 356215515 /nfs/dbraw/zinc/21/55/15/356215515.db2.gz HVEMYNDBWRYWJB-GMXVVIOVSA-N 0 3 240.347 0.890 20 0 BCADHN NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000180493464 181259397 /nfs/dbraw/zinc/25/93/97/181259397.db2.gz VQGORAHWVDZUQQ-GFCCVEGCSA-N 0 3 249.314 0.422 20 0 BCADHN NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000355950649 181259451 /nfs/dbraw/zinc/25/94/51/181259451.db2.gz FKTNLSYHIDCTGY-CYBMUJFWSA-N 0 3 249.314 0.292 20 0 BCADHN O=c1cc(CN2CCC[C@H](O)C2)cc[nH]1 ZINC000639443969 356220239 /nfs/dbraw/zinc/22/02/39/356220239.db2.gz AOYKVUSDGTYBJH-JTQLQIEISA-N 0 3 208.261 0.744 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@H](CO)[C@H]1C ZINC000336107558 134082992 /nfs/dbraw/zinc/08/29/92/134082992.db2.gz SRCIRYJSWYSFMY-NXEZZACHSA-N 0 3 209.293 0.921 20 0 BCADHN CN1CCN(Cc2cc[nH]c(=O)c2)CC1 ZINC000639444753 356223316 /nfs/dbraw/zinc/22/33/16/356223316.db2.gz FGYDWZQPLNJXDM-UHFFFAOYSA-N 0 3 207.277 0.535 20 0 BCADHN CN1CCCN(CCc2cnccn2)CC1 ZINC000639444801 356223416 /nfs/dbraw/zinc/22/34/16/356223416.db2.gz OUBACSLQVFBJPE-UHFFFAOYSA-N 0 3 220.320 0.657 20 0 BCADHN C[C@H]1OCC[C@@H]1CN(C)CC(=O)N(C)C ZINC000639445142 356223920 /nfs/dbraw/zinc/22/39/20/356223920.db2.gz KXBVZIYAJJFBCT-NXEZZACHSA-N 0 3 214.309 0.431 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN(C)CC(=O)N(C)C ZINC000639445144 356224401 /nfs/dbraw/zinc/22/44/01/356224401.db2.gz KXBVZIYAJJFBCT-VHSXEESVSA-N 0 3 214.309 0.431 20 0 BCADHN CN1CCCN(C[C@@H]2CCc3ncnn32)CC1 ZINC000639445258 356226315 /nfs/dbraw/zinc/22/63/15/356226315.db2.gz QWATXFNLUGRFMZ-NSHDSACASA-N 0 3 235.335 0.403 20 0 BCADHN C[C@H]1OCC[C@@H]1CN(C)CC(=O)NC1CC1 ZINC000639446914 356227163 /nfs/dbraw/zinc/22/71/63/356227163.db2.gz WWHXFRTYYLAVLD-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN COCCN1CCN(C[C@@H]2CCO[C@@H]2C)CC1 ZINC000639449265 356230359 /nfs/dbraw/zinc/23/03/59/356230359.db2.gz XEBOGTOWQMDSOB-OLZOCXBDSA-N 0 3 242.363 0.675 20 0 BCADHN CN(C[C@H]1CCCO1)C[C@@H]1CCc2ncnn21 ZINC000639452754 356233603 /nfs/dbraw/zinc/23/36/03/356233603.db2.gz BLSQEAXJFLEVSA-WDEREUQCSA-N 0 3 236.319 0.876 20 0 BCADHN CC(C)[C@@H](O)CN1CCNC(=O)C[C@H]1C ZINC000374087057 192015607 /nfs/dbraw/zinc/01/56/07/192015607.db2.gz AHCWXSMGZMBARS-ZJUUUORDSA-N 0 3 214.309 0.214 20 0 BCADHN CC(C)CC[C@H](O)CN1CCOC[C@H](O)C1 ZINC000331953721 356205937 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/nfs/dbraw/zinc/18/72/25/202187225.db2.gz DBVKJNSMNFRFSJ-JTQLQIEISA-N 0 3 219.325 0.070 20 0 BCADHN CC(C)CCOCCN1C[C@H](O)C[C@@]1(C)CO ZINC000639851553 356852070 /nfs/dbraw/zinc/85/20/70/356852070.db2.gz NLMBRBVGOZOJCK-OLZOCXBDSA-N 0 3 245.363 0.867 20 0 BCADHN Cc1cccc(CN2C[C@@H](O)C[C@@]2(C)CO)n1 ZINC000639850833 356854608 /nfs/dbraw/zinc/85/46/08/356854608.db2.gz XHYMSORUQWEOAO-STQMWFEESA-N 0 3 236.315 0.708 20 0 BCADHN CNC(=O)CN1CCCC[C@H]1C[C@H](C)O ZINC000163107596 202189432 /nfs/dbraw/zinc/18/94/32/202189432.db2.gz MOHGJAFBMDPGTE-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN CC[C@@H](Cn1cncn1)NCc1cncn1C ZINC000353577715 538750150 /nfs/dbraw/zinc/75/01/50/538750150.db2.gz PWGCYJOEBOGWAO-JTQLQIEISA-N 0 3 234.307 0.580 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCC(=O)OCC ZINC000041680011 358513308 /nfs/dbraw/zinc/51/33/08/358513308.db2.gz WPVBBRIEXFBICU-NSHDSACASA-N 0 3 230.308 0.573 20 0 BCADHN CC[C@@H](O)CN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369024055 356981781 /nfs/dbraw/zinc/98/17/81/356981781.db2.gz BGPYPWUJCGENSF-MWLCHTKSSA-N 0 3 228.292 0.332 20 0 BCADHN CN1CCN(CC[C@H]2CCCCO2)[C@H](CO)C1 ZINC000639866518 356982328 /nfs/dbraw/zinc/98/23/28/356982328.db2.gz FXGVSWCBEAYPNU-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCN(C)C[C@@H]1CO ZINC000639866608 356982482 /nfs/dbraw/zinc/98/24/82/356982482.db2.gz GQBXAGOLDMZGNR-QJPTWQEYSA-N 0 3 228.336 0.020 20 0 BCADHN CC[C@@H](O)CN1CCO[C@]2(CCO[C@H]2C)C1 ZINC000369299675 356983747 /nfs/dbraw/zinc/98/37/47/356983747.db2.gz VEYZAGKMTSGNTC-QJPTWQEYSA-N 0 3 229.320 0.637 20 0 BCADHN CC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000053457100 356985936 /nfs/dbraw/zinc/98/59/36/356985936.db2.gz KVKROGZXPKNZFJ-GFCCVEGCSA-N 0 3 226.320 0.720 20 0 BCADHN CCN1CCCN(Cc2nnc(C)n2C)CC1 ZINC000363105728 356952581 /nfs/dbraw/zinc/95/25/81/356952581.db2.gz VYZSIWIBTVYELX-UHFFFAOYSA-N 0 3 237.351 0.651 20 0 BCADHN C[C@@H]1CCCCN1CC(=O)N1CCOCC1 ZINC000041362582 357025879 /nfs/dbraw/zinc/02/58/79/357025879.db2.gz FOSIXVXJFIUYCZ-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN C[C@H]1CCCCN1CC(=O)N1CCOCC1 ZINC000041362584 357026171 /nfs/dbraw/zinc/02/61/71/357026171.db2.gz FOSIXVXJFIUYCZ-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN CCCCCN1CCN(C)C[C@@H]1CO ZINC000639870083 357026571 /nfs/dbraw/zinc/02/65/71/357026571.db2.gz DBPRBHWFHWOKBZ-LLVKDONJSA-N 0 3 200.326 0.785 20 0 BCADHN CN1CCN(CCCc2ccncc2)[C@@H](CO)C1 ZINC000639870738 357029929 /nfs/dbraw/zinc/02/99/29/357029929.db2.gz GUSPMLCUAOPXPS-CQSZACIVSA-N 0 3 249.358 0.623 20 0 BCADHN CC(C)C[C@@H](C)N1CC[C@H](S(N)(=O)=O)C1 ZINC000450621644 202212216 /nfs/dbraw/zinc/21/22/16/202212216.db2.gz MMHQHWKMWXULCY-ZJUUUORDSA-N 0 3 234.365 0.784 20 0 BCADHN COCCCCCN1CCN(C)C[C@H]1CO ZINC000639872319 357042023 /nfs/dbraw/zinc/04/20/23/357042023.db2.gz VDZATSPTXRYIIU-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN CN1CCN([C@H]2C=CCCC2)[C@@H](CO)C1 ZINC000639872271 357042319 /nfs/dbraw/zinc/04/23/19/357042319.db2.gz VCOXDQYWYWHKCS-NWDGAFQWSA-N 0 3 210.321 0.703 20 0 BCADHN CN1CCN(CC2(C)CCC2)[C@@H](CO)C1 ZINC000639872258 357042397 /nfs/dbraw/zinc/04/23/97/357042397.db2.gz OXMDKMYDUVTIRE-LLVKDONJSA-N 0 3 212.337 0.785 20 0 BCADHN CC(C)OCCCN1CCN(C)C[C@@H]1CO ZINC000639872747 357045656 /nfs/dbraw/zinc/04/56/56/357045656.db2.gz XHWPRURMSFGQLQ-GFCCVEGCSA-N 0 3 230.352 0.410 20 0 BCADHN COC(=O)CC1(NC(=O)[C@@H](C)NC2CC2)CC1 ZINC000582367540 357109412 /nfs/dbraw/zinc/10/94/12/357109412.db2.gz STIJXVGSUGCKGK-MRVPVSSYSA-N 0 3 240.303 0.339 20 0 BCADHN CC(C)(CC(N)=O)[NH2+]Cc1ncccc1[O-] ZINC000582367889 357110020 /nfs/dbraw/zinc/11/00/20/357110020.db2.gz JXBKQWHYWKVLIE-UHFFFAOYSA-N 0 3 223.276 0.531 20 0 BCADHN COC(=O)N1CC(N[C@H](C)[C@H](C)OC)C1 ZINC000389936895 357071253 /nfs/dbraw/zinc/07/12/53/357071253.db2.gz NGNCGUROFCIILX-SFYZADRCSA-N 0 3 216.281 0.450 20 0 BCADHN COCc1csc(NC(=O)[C@H]2CCN2)n1 ZINC000390752182 357115222 /nfs/dbraw/zinc/11/52/22/357115222.db2.gz DQGWEXCMSMSPQW-SSDOTTSWSA-N 0 3 227.289 0.590 20 0 BCADHN O[C@H](CNCC1(F)CC1)C1CCOCC1 ZINC000389996987 357081539 /nfs/dbraw/zinc/08/15/39/357081539.db2.gz QXEAQAPBXMLQLL-SNVBAGLBSA-N 0 3 217.284 0.866 20 0 BCADHN O[C@@H](CNCC1(F)CC1)C1CCOCC1 ZINC000389996986 357081681 /nfs/dbraw/zinc/08/16/81/357081681.db2.gz QXEAQAPBXMLQLL-JTQLQIEISA-N 0 3 217.284 0.866 20 0 BCADHN COC[C@H](O)CCNC[C@@](C)(O)C(F)(F)F ZINC000390225932 357087112 /nfs/dbraw/zinc/08/71/12/357087112.db2.gz AYYBMHYJKHTJTK-HTQZYQBOSA-N 0 3 245.241 0.287 20 0 BCADHN CCN1CCCN(C(=O)[C@H]2OCC[C@@H]2C)CC1 ZINC000372747362 357091865 /nfs/dbraw/zinc/09/18/65/357091865.db2.gz LENAOLXUGJPFMO-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN COCCOC[C@H](C)NC[C@@H](O)C(F)(F)F ZINC000582355761 357098863 /nfs/dbraw/zinc/09/88/63/357098863.db2.gz ZGYZIJHEBBGLEV-JGVFFNPUSA-N 0 3 245.241 0.551 20 0 BCADHN CC[C@@H](CNS(C)(=O)=O)NCC1(F)CC1 ZINC000582401065 357132676 /nfs/dbraw/zinc/13/26/76/357132676.db2.gz SZPFVIWVQKJSJA-QMMMGPOBSA-N 0 3 238.328 0.406 20 0 BCADHN CNC(=O)CCN[C@@H](CO)c1ccccc1C ZINC000543837263 325116762 /nfs/dbraw/zinc/11/67/62/325116762.db2.gz YCPXRXWODNTQSZ-LBPRGKRZSA-N 0 3 236.315 0.754 20 0 BCADHN O=C1CNC(=O)N1[C@@H]1CCN(CC2CC2)C1 ZINC000585379540 538800586 /nfs/dbraw/zinc/80/05/86/538800586.db2.gz LRIWHXKPINCQBP-SECBINFHSA-N 0 3 223.276 0.023 20 0 BCADHN CNCC(=O)NCc1cc(C)nc(C)c1 ZINC000582419163 357142838 /nfs/dbraw/zinc/14/28/38/357142838.db2.gz NGSZIHLLMOVSSX-UHFFFAOYSA-N 0 3 207.277 0.534 20 0 BCADHN CCc1nc(CN[C@@H]2C[C@@H](O)C2(C)C)n[nH]1 ZINC000392362319 357148004 /nfs/dbraw/zinc/14/80/04/357148004.db2.gz RVSHNWMLZALSPU-HTQZYQBOSA-N 0 3 224.308 0.616 20 0 BCADHN C[C@H]1C[C@@H](NC2CN(c3ccncn3)C2)CO1 ZINC000631256358 357158901 /nfs/dbraw/zinc/15/89/01/357158901.db2.gz DRDWAUMYQYISLT-VHSXEESVSA-N 0 3 234.303 0.432 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCN1CC=CCC1 ZINC000392827707 357239867 /nfs/dbraw/zinc/23/98/67/357239867.db2.gz YKDYDIRRAHXDPJ-RYUDHWBXSA-N 0 3 239.363 0.738 20 0 BCADHN CC[C@@H](O)CN1CCSC[C@H]1CC(=O)OC ZINC000123274437 357220192 /nfs/dbraw/zinc/22/01/92/357220192.db2.gz WXCJRCKASRNMKQ-NXEZZACHSA-N 0 3 247.360 0.738 20 0 BCADHN CN(C)C(=O)[C@@H]1CCCN1Cc1cc[nH]c(=O)c1 ZINC000639893425 357227073 /nfs/dbraw/zinc/22/70/73/357227073.db2.gz RWPIVPMPHYUCGE-NSHDSACASA-N 0 3 249.314 0.840 20 0 BCADHN CCN1CCCN(C(=O)C[C@@H](C)OC)CC1 ZINC000377489582 357234474 /nfs/dbraw/zinc/23/44/74/357234474.db2.gz AQJYVCDBPOMGQH-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CO[C@@H](CN)C(=O)NC(C)(C)C(C)C ZINC000393620508 357290056 /nfs/dbraw/zinc/29/00/56/357290056.db2.gz DXGAXERJTLFQSP-QMMMGPOBSA-N 0 3 202.298 0.511 20 0 BCADHN NC(=O)[C@H]1C[C@H](NCc2ccc3c(n2)CCC3)C1 ZINC000628426740 357254755 /nfs/dbraw/zinc/25/47/55/357254755.db2.gz JGGUKCDXRSAEDL-UMSPYCQHSA-N 0 3 245.326 0.924 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NCCN1CC=CCC1 ZINC000392882625 357261028 /nfs/dbraw/zinc/26/10/28/357261028.db2.gz OHPBHJMKCUNBSI-VIFPVBQESA-N 0 3 247.289 0.347 20 0 BCADHN CC(C)C(=O)NCCNC[C@H](O)C(F)(F)F ZINC000393163684 357278553 /nfs/dbraw/zinc/27/85/53/357278553.db2.gz LVOKVUZFLAEQJP-ZETCQYMHSA-N 0 3 242.241 0.271 20 0 BCADHN CC[C@H](O)CN1CCC(N2CN=NC2=O)CC1 ZINC000582733315 357375263 /nfs/dbraw/zinc/37/52/63/357375263.db2.gz AAOCSIPWCIXGBY-JTQLQIEISA-N 0 3 240.307 0.392 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1c1ncnc2n[nH]cc21 ZINC000033643466 357328253 /nfs/dbraw/zinc/32/82/53/357328253.db2.gz JVCBYGYYTZRSAT-JGVFFNPUSA-N 0 3 232.291 0.540 20 0 BCADHN CSC[C@@H](O)CN[C@@H]1CC(=O)N(C2CC2)C1 ZINC000582541527 357340652 /nfs/dbraw/zinc/34/06/52/357340652.db2.gz KZTOBLGUDBIIFC-SCZZXKLOSA-N 0 3 244.360 0.063 20 0 BCADHN CNC(=O)[C@H](C)N[C@@H]1[C@H](C)[C@H](OC)C12CCC2 ZINC000582599251 357347466 /nfs/dbraw/zinc/34/74/66/357347466.db2.gz YWQCIZXCROSMPX-MMWGEVLESA-N 0 3 240.347 0.914 20 0 BCADHN COC[C@](C)(O)CN[C@@H](C)c1cn[nH]c1 ZINC000394595232 357368106 /nfs/dbraw/zinc/36/81/06/357368106.db2.gz AYGSIBYPJUWERH-WCBMZHEXSA-N 0 3 213.281 0.458 20 0 BCADHN OC[C@H]1CC[C@@H](CO)N1Cc1ccccn1 ZINC000220736022 357394940 /nfs/dbraw/zinc/39/49/40/357394940.db2.gz CLSXYLYJWKZOCM-TXEJJXNPSA-N 0 3 222.288 0.399 20 0 BCADHN OC[C@@H]1CC[C@@H](CO)N1Cc1ccccn1 ZINC000220736076 357395341 /nfs/dbraw/zinc/39/53/41/357395341.db2.gz CLSXYLYJWKZOCM-RYUDHWBXSA-N 0 3 222.288 0.399 20 0 BCADHN COC[C@H](C)CNC(=O)[C@@H](C)NC1CC1 ZINC000383400225 357399384 /nfs/dbraw/zinc/39/93/84/357399384.db2.gz SLAQAZRFIQQGCQ-RKDXNWHRSA-N 0 3 214.309 0.526 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@@H](C)NC1CC1 ZINC000383400222 357399449 /nfs/dbraw/zinc/39/94/49/357399449.db2.gz SLAQAZRFIQQGCQ-DTWKUNHWSA-N 0 3 214.309 0.526 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@H](C)NC1CC1 ZINC000383400224 357399469 /nfs/dbraw/zinc/39/94/69/357399469.db2.gz SLAQAZRFIQQGCQ-IUCAKERBSA-N 0 3 214.309 0.526 20 0 BCADHN COc1nccc(CNCC(C)(C)O)n1 ZINC000395229763 357429114 /nfs/dbraw/zinc/42/91/14/357429114.db2.gz PFHREIGRFJUMCF-UHFFFAOYSA-N 0 3 211.265 0.346 20 0 BCADHN CN(C(=O)Cn1cc2c(n1)[C@@H](N)CCC2)C1CC1 ZINC000582959246 357438304 /nfs/dbraw/zinc/43/83/04/357438304.db2.gz GCJSFKKJYMGGGT-NSHDSACASA-N 0 3 248.330 0.840 20 0 BCADHN COC[C@H](O)CN(C)CCN1CCCCC1 ZINC000050117111 357379115 /nfs/dbraw/zinc/37/91/15/357379115.db2.gz YCNCYYCDIDXJQE-GFCCVEGCSA-N 0 3 230.352 0.411 20 0 BCADHN CO[C@H](CN1CCC[C@@]12CCNC2=O)C1CC1 ZINC000583152565 357496896 /nfs/dbraw/zinc/49/68/96/357496896.db2.gz XXPBAILGKVABLL-YPMHNXCESA-N 0 3 238.331 0.766 20 0 BCADHN CN(CCC(=O)Nc1cccnc1)C1CC(O)C1 ZINC000583179159 357504214 /nfs/dbraw/zinc/50/42/14/357504214.db2.gz MRZUUKSSVNBURU-UHFFFAOYSA-N 0 3 249.314 0.865 20 0 BCADHN CCc1cc(NC(=O)[C@H](C)NC)n(C)n1 ZINC000582975020 357449060 /nfs/dbraw/zinc/44/90/60/357449060.db2.gz KMYNCWJJIQLGNC-ZETCQYMHSA-N 0 3 210.281 0.529 20 0 BCADHN CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1O ZINC000582974242 357449295 /nfs/dbraw/zinc/44/92/95/357449295.db2.gz WJJOHQQEWXVUDD-TUAOUCFPSA-N 0 3 240.347 0.558 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N(C)C(C)(C)C ZINC000583025582 357455306 /nfs/dbraw/zinc/45/53/06/357455306.db2.gz FFFYEBLZNVAINK-MRVPVSSYSA-N 0 3 230.308 0.524 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)CNC[C@H]2CCCO2)CO1 ZINC000583085466 357475604 /nfs/dbraw/zinc/47/56/04/357475604.db2.gz FHNWTRNEJFAASE-OUAUKWLOSA-N 0 3 242.319 0.049 20 0 BCADHN O[C@@H](CNCCC1(O)CCC1)C(F)(F)F ZINC000396794848 357483858 /nfs/dbraw/zinc/48/38/58/357483858.db2.gz PHFWNGYNKPSNKE-ZETCQYMHSA-N 0 3 227.226 0.804 20 0 BCADHN CCc1cc(C(=O)N2CCN3CCC2CC3)n[nH]1 ZINC000188605296 357568050 /nfs/dbraw/zinc/56/80/50/357568050.db2.gz JYDPYSHPTRZKQV-UHFFFAOYSA-N 0 3 248.330 0.892 20 0 BCADHN COC1CC(N[C@H](C)C(=O)N2CCCC2)C1 ZINC000230696639 357568427 /nfs/dbraw/zinc/56/84/27/357568427.db2.gz AZRKHMZRGYRWMI-KPPDAEKUSA-N 0 3 226.320 0.764 20 0 BCADHN OCCN(CCO)C[C@@H](O)CC1CCCC1 ZINC000188638323 357569387 /nfs/dbraw/zinc/56/93/87/357569387.db2.gz YXSXWOJWZKKTHA-LBPRGKRZSA-N 0 3 231.336 0.214 20 0 BCADHN COCCN(CCO)C[C@@H](O)CC1CCCC1 ZINC000188642553 357570883 /nfs/dbraw/zinc/57/08/83/357570883.db2.gz RLMOPQCGACNQFM-ZDUSSCGKSA-N 0 3 245.363 0.868 20 0 BCADHN C[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)c1ccccn1 ZINC000188692206 357572596 /nfs/dbraw/zinc/57/25/96/357572596.db2.gz XLDHHCBJMFNCFQ-WCABBAIRSA-N 0 3 237.278 0.959 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@@H](C)O[C@@H]1C ZINC000633067684 357519132 /nfs/dbraw/zinc/51/91/32/357519132.db2.gz QNFCNRAJXZZSPG-ZDCRXTMVSA-N 0 3 228.336 0.866 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@](C)(O)CC1 ZINC000230379300 357532575 /nfs/dbraw/zinc/53/25/75/357532575.db2.gz QCPCAKIKTRIIFW-GFCCVEGCSA-N 0 3 228.336 0.702 20 0 BCADHN O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H](F)CN1 ZINC000188597210 357542270 /nfs/dbraw/zinc/54/22/70/357542270.db2.gz AJULKIKKTCTHAY-MMWGEVLESA-N 0 3 244.310 0.354 20 0 BCADHN Cc1ncccc1NC(=O)[C@H]1C[C@@H](O)CN1 ZINC000085727851 357545519 /nfs/dbraw/zinc/54/55/19/357545519.db2.gz YNYGJZQSAHRFPS-PSASIEDQSA-N 0 3 221.260 0.051 20 0 BCADHN C[C@H](CNCc1cn(C)nn1)N(C)C1CC1 ZINC000230656487 357545817 /nfs/dbraw/zinc/54/58/17/357545817.db2.gz QQWWPGJZSBHFEP-SECBINFHSA-N 0 3 223.324 0.387 20 0 BCADHN CC(C)N(C[C@@H](O)CO)C[C@@H]1CCCCO1 ZINC000359675103 538857523 /nfs/dbraw/zinc/85/75/23/538857523.db2.gz YTCCDKKUTRMYMK-NEPJUHHUSA-N 0 3 231.336 0.619 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H]2C[C@H](F)CN2)C[C@@H](C)O1 ZINC000188440539 357554514 /nfs/dbraw/zinc/55/45/14/357554514.db2.gz VWOVUOQYQFCIAR-LMLFDSFASA-N 0 3 244.310 0.712 20 0 BCADHN COCCOCCNCc1cncc(F)c1 ZINC000230939623 357580991 /nfs/dbraw/zinc/58/09/91/357580991.db2.gz ZAVTUFIPXRSZHV-UHFFFAOYSA-N 0 3 228.267 0.973 20 0 BCADHN Cc1cnccc1CCN(CCO)CCCO ZINC000397546215 357585662 /nfs/dbraw/zinc/58/56/62/357585662.db2.gz MPWCKLHHGZIKBK-UHFFFAOYSA-N 0 3 238.331 0.609 20 0 BCADHN CC(C)C1CC(NCCS(=O)(=O)N(C)C)C1 ZINC000230988263 357587582 /nfs/dbraw/zinc/58/75/82/357587582.db2.gz DPSUHTUWJZMAOG-UHFFFAOYSA-N 0 3 248.392 0.902 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](C)CCO)N(C)C ZINC000158848264 538869480 /nfs/dbraw/zinc/86/94/80/538869480.db2.gz VVFYKEYPBQYKFQ-ZJUUUORDSA-N 0 3 216.325 0.461 20 0 BCADHN CC(C)CNC(=O)CN[C@H](CCO)C(C)C ZINC000231041287 357597379 /nfs/dbraw/zinc/59/73/79/357597379.db2.gz RHCLPSOLNOMQGF-LLVKDONJSA-N 0 3 230.352 0.755 20 0 BCADHN Cn1nncc1CN[C@H](CCO)C(C)(C)C ZINC000231074549 357597581 /nfs/dbraw/zinc/59/75/81/357597581.db2.gz SUHJTSILVSJDHC-SNVBAGLBSA-N 0 3 226.324 0.702 20 0 BCADHN CC[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)[C@@H]1CCCO1 ZINC000188979422 357598203 /nfs/dbraw/zinc/59/82/03/357598203.db2.gz KJAWENOMSJGQFB-ZDCRXTMVSA-N 0 3 244.310 0.760 20 0 BCADHN O=C(NCCCCCCO)[C@H]1C[C@H](F)CN1 ZINC000188996658 357599694 /nfs/dbraw/zinc/59/96/94/357599694.db2.gz DJKKKWCKZMRGJG-VHSXEESVSA-N 0 3 232.299 0.355 20 0 BCADHN COC(CN1C[C@H]2CCC[C@@H](C1)C2O)OC ZINC000189034095 357600440 /nfs/dbraw/zinc/60/04/40/357600440.db2.gz KTCIXWTYYXWRNN-DHHPTOIESA-N 0 3 229.320 0.698 20 0 BCADHN COCCN(CCO)CCc1ccncc1C ZINC000397630417 357617641 /nfs/dbraw/zinc/61/76/41/357617641.db2.gz CCMWXWIJCXEVDM-UHFFFAOYSA-N 0 3 238.331 0.873 20 0 BCADHN CN(C)C1(CN(C)C(=O)C2CC(=O)C2)CCC1 ZINC000189519617 357642918 /nfs/dbraw/zinc/64/29/18/357642918.db2.gz MEWLXTQFVHPXFZ-UHFFFAOYSA-N 0 3 238.331 0.908 20 0 BCADHN COc1ccc(CNCCCOCCO)cn1 ZINC000232168095 357652668 /nfs/dbraw/zinc/65/26/68/357652668.db2.gz NJSMVTKYZDOLAG-UHFFFAOYSA-N 0 3 240.303 0.579 20 0 BCADHN CC(C)CNC(=O)CN[C@]1(C)CCO[C@H]1C ZINC000232566618 357671087 /nfs/dbraw/zinc/67/10/87/357671087.db2.gz NDXPJSQAXGOPPP-CMPLNLGQSA-N 0 3 228.336 0.916 20 0 BCADHN CC(C)(O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000232560116 357671400 /nfs/dbraw/zinc/67/14/00/357671400.db2.gz MXEWMAFFKSTPLO-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN COCCN(CCO)C[C@@H](O)C1CCCCC1 ZINC000190505899 357713693 /nfs/dbraw/zinc/71/36/93/357713693.db2.gz VISFEHJISUOVMO-CYBMUJFWSA-N 0 3 245.363 0.868 20 0 BCADHN CC1(C)CCCN[C@@H]1C(=O)NCCCC(N)=O ZINC000232808390 357685501 /nfs/dbraw/zinc/68/55/01/357685501.db2.gz ROYJVFSDSOEEGC-SNVBAGLBSA-N 0 3 241.335 0.146 20 0 BCADHN CCCNC(=O)CN[C@H]1CCO[C@H]1C1CC1 ZINC000233042971 357692554 /nfs/dbraw/zinc/69/25/54/357692554.db2.gz BGKRXMJIHDHOGW-JQWIXIFHSA-N 0 3 226.320 0.670 20 0 BCADHN Cc1ccc([O-])c(CN(C)[C@H]2CC[NH2+]C2)n1 ZINC000085973172 357706918 /nfs/dbraw/zinc/70/69/18/357706918.db2.gz KDHZXXQGMJWPRK-JTQLQIEISA-N 0 3 221.304 0.889 20 0 BCADHN C[C@H]1COCCN1CCN(CCO)C1CC1 ZINC000191439026 357771192 /nfs/dbraw/zinc/77/11/92/357771192.db2.gz FHDCQLPAXVOSGY-NSHDSACASA-N 0 3 228.336 0.164 20 0 BCADHN C[C@H]1COCCN1CCN1CCC[C@@H]1CO ZINC000191481050 357773181 /nfs/dbraw/zinc/77/31/81/357773181.db2.gz OYVIUAZUFPZRLK-NWDGAFQWSA-N 0 3 228.336 0.164 20 0 BCADHN COCCOCC(=O)N(C)C[C@H]1CCCN1C ZINC000234656745 357821429 /nfs/dbraw/zinc/82/14/29/357821429.db2.gz LJVDFAKNCPGMIR-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CCN(C)C(C)(C)C1 ZINC000583272492 357782101 /nfs/dbraw/zinc/78/21/01/357782101.db2.gz MSELOLDOEGQKDX-LLVKDONJSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@@H](O)CCN(C)CCN1CCOC[C@H]1C ZINC000191512319 357783287 /nfs/dbraw/zinc/78/32/87/357783287.db2.gz BLJICSICXYYWFG-VXGBXAGGSA-N 0 3 230.352 0.410 20 0 BCADHN COCCCNC(=O)[C@H](C)N[C@@H](C)[C@H](C)OC ZINC000191714192 357789945 /nfs/dbraw/zinc/78/99/45/357789945.db2.gz BOWLOQQUYUMJOW-DCAQKATOSA-N 0 3 246.351 0.541 20 0 BCADHN C[C@@H](O)C1CCN(CCN2CCNC2=O)CC1 ZINC000235292921 357852480 /nfs/dbraw/zinc/85/24/80/357852480.db2.gz ZTUUYTKNLQSBTA-SNVBAGLBSA-N 0 3 241.335 0.104 20 0 BCADHN CCCS(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000192919761 357853480 /nfs/dbraw/zinc/85/34/80/357853480.db2.gz JXYQOBPKWVFZRN-AOOOYVTPSA-N 0 3 232.349 0.220 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)[C@@H]1NCCCC1(C)C ZINC000235240086 357858615 /nfs/dbraw/zinc/85/86/15/357858615.db2.gz FFQSBHKHSPKEQT-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN CSCC[C@@H](N)C(=O)NCCOCC1CC1 ZINC000235047344 357841620 /nfs/dbraw/zinc/84/16/20/357841620.db2.gz FBYGQSJTKJXBDN-SNVBAGLBSA-N 0 3 246.376 0.610 20 0 BCADHN CSCCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192656061 357842614 /nfs/dbraw/zinc/84/26/14/357842614.db2.gz BLGSHIACOWQGSG-JTQLQIEISA-N 0 3 243.332 0.023 20 0 BCADHN CSCCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192656044 357843083 /nfs/dbraw/zinc/84/30/83/357843083.db2.gz BLGSHIACOWQGSG-SNVBAGLBSA-N 0 3 243.332 0.023 20 0 BCADHN C[C@H]1COCCN1CCN1CCCO[C@H](C)C1 ZINC000192708482 357848469 /nfs/dbraw/zinc/84/84/69/357848469.db2.gz IBYCNEGLYCRQNR-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN CO[C@@H]1CC[C@@H]2OCCN(C[C@@H](C)O)[C@H]2C1 ZINC000192770416 357850792 /nfs/dbraw/zinc/85/07/92/357850792.db2.gz ZZFUCNYMLFIJIU-WYUUTHIRSA-N 0 3 229.320 0.636 20 0 BCADHN O=C1CCN(CCO[C@H]2CCCCO2)CCN1 ZINC000193049568 357865960 /nfs/dbraw/zinc/86/59/60/357865960.db2.gz KRWFHMXWRWHUBK-LBPRGKRZSA-N 0 3 242.319 0.352 20 0 BCADHN O=C1CCN(CCO[C@@H]2CCCCO2)CCN1 ZINC000193049558 357866063 /nfs/dbraw/zinc/86/60/63/357866063.db2.gz KRWFHMXWRWHUBK-GFCCVEGCSA-N 0 3 242.319 0.352 20 0 BCADHN C[C@@H]1OCC[C@@]1(C)NCC(=O)N1CCOCC1 ZINC000235436796 357869124 /nfs/dbraw/zinc/86/91/24/357869124.db2.gz KZRBNWCVUFXRFU-CMPLNLGQSA-N 0 3 242.319 0.002 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](N)C2CCC2)no1 ZINC000399045098 357895062 /nfs/dbraw/zinc/89/50/62/357895062.db2.gz SBNMRIGQIOPYLG-JTQLQIEISA-N 0 3 223.276 0.727 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)N(C)CC(C)(C)O ZINC000086274414 357879434 /nfs/dbraw/zinc/87/94/34/357879434.db2.gz SGUXLFGUVGGAPQ-NXEZZACHSA-N 0 3 230.352 0.992 20 0 BCADHN CCN(CC(=O)N(C)C(C)C)CC(C)(C)O ZINC000086274832 357879900 /nfs/dbraw/zinc/87/99/00/357879900.db2.gz LLQGHGUUTIMWHT-UHFFFAOYSA-N 0 3 230.352 0.946 20 0 BCADHN C[C@H]1OCC[C@@]1(C)NCC(=O)N1CCOCC1 ZINC000235594437 357881324 /nfs/dbraw/zinc/88/13/24/357881324.db2.gz KZRBNWCVUFXRFU-ZYHUDNBSSA-N 0 3 242.319 0.002 20 0 BCADHN CN(C(=O)CN1CCC[C@]1(C)CO)C1CC1 ZINC000546105329 325266553 /nfs/dbraw/zinc/26/65/53/325266553.db2.gz YFILCFMRSIZGQW-GFCCVEGCSA-N 0 3 226.320 0.454 20 0 BCADHN CC[C@H](O)CCCNC(=O)C1(N)CCC1 ZINC000398572128 357887257 /nfs/dbraw/zinc/88/72/57/357887257.db2.gz QABLWVJHJHUHLJ-VIFPVBQESA-N 0 3 214.309 0.535 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@H](C)NC1CC1 ZINC000398606685 357888020 /nfs/dbraw/zinc/88/80/20/357888020.db2.gz YNEJDSFYAJGDLX-GXSJLCMTSA-N 0 3 228.336 0.794 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000398704041 357889370 /nfs/dbraw/zinc/88/93/70/357889370.db2.gz XURICFRTODZCPA-LPEHRKFASA-N 0 3 228.336 0.650 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)C(=O)CNCC1CC1 ZINC000398896929 357891117 /nfs/dbraw/zinc/89/11/17/357891117.db2.gz JVUXQTVRKLZTQQ-JDNHERCYSA-N 0 3 246.376 0.211 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@@H](N)C1CCC1 ZINC000398954401 357891692 /nfs/dbraw/zinc/89/16/92/357891692.db2.gz AZXMGGANKCQFPL-ZJUUUORDSA-N 0 3 214.309 0.391 20 0 BCADHN N[C@H](C(=O)NCc1cccnc1)C1CCC1 ZINC000398971719 357891775 /nfs/dbraw/zinc/89/17/75/357891775.db2.gz AOGNFNFAYQKVLP-NSHDSACASA-N 0 3 219.288 0.825 20 0 BCADHN CN(C[C@@H]1CCCOC1)C(=O)[C@@H](N)C1CCC1 ZINC000398976675 357893074 /nfs/dbraw/zinc/89/30/74/357893074.db2.gz BTMJJMKCOJWMEN-JQWIXIFHSA-N 0 3 240.347 0.999 20 0 BCADHN N[C@@H](C(=O)NCC1CCOCC1)C1CCC1 ZINC000399016643 357893954 /nfs/dbraw/zinc/89/39/54/357893954.db2.gz GDDRCETYWDQVTP-LLVKDONJSA-N 0 3 226.320 0.657 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](N)C2CCC2)on1 ZINC000399019094 357893978 /nfs/dbraw/zinc/89/39/78/357893978.db2.gz HIFRZSYNEIEDCR-JTQLQIEISA-N 0 3 223.276 0.727 20 0 BCADHN CC(C)C(=O)NCCNC(=O)[C@@H](N)C1CCC1 ZINC000399102158 357895926 /nfs/dbraw/zinc/89/59/26/357895926.db2.gz WCUKDEXBQZPYLD-JTQLQIEISA-N 0 3 241.335 0.002 20 0 BCADHN CC(C)C(=O)N1CCCN(C[C@H](C)O)CC1 ZINC000192977927 357862767 /nfs/dbraw/zinc/86/27/67/357862767.db2.gz TYHCYZHNWIAVGU-NSHDSACASA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H]1OCC[C@]1(C)NCC(=O)NCC1CC1 ZINC000235638643 357926431 /nfs/dbraw/zinc/92/64/31/357926431.db2.gz JXVYHNZGWCXKSD-SKDRFNHKSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@H](CNC(=O)[C@H](O)C1CC1)N(C)C1CC1 ZINC000668096016 491116835 /nfs/dbraw/zinc/11/68/35/491116835.db2.gz WBNYRPKCJYWNRQ-LDYMZIIASA-N 0 3 226.320 0.356 20 0 BCADHN COCCCNC(=O)[C@@H](N)C1CCC1 ZINC000399177488 357897902 /nfs/dbraw/zinc/89/79/02/357897902.db2.gz IGTXIZUCYPRMOM-VIFPVBQESA-N 0 3 200.282 0.267 20 0 BCADHN CCN(C)C(=O)CNC[C@@H](O)COCC(C)C ZINC000218276695 357921667 /nfs/dbraw/zinc/92/16/67/357921667.db2.gz IOGWKMCDOPQPKW-LLVKDONJSA-N 0 3 246.351 0.088 20 0 BCADHN CC1(C)CN(CCOC[C@H]2CCCO2)C[C@@H]1O ZINC000583732943 357929535 /nfs/dbraw/zinc/92/95/35/357929535.db2.gz ZRRYJZATTRRQKG-NEPJUHHUSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCCC2)[C@H](CO)C1 ZINC000639935549 357935638 /nfs/dbraw/zinc/93/56/38/357935638.db2.gz JDRDYAJWZXWZFY-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H]1C[C@H](O)CCN1CCN1CCOCC1 ZINC000639940876 357956485 /nfs/dbraw/zinc/95/64/85/357956485.db2.gz FDHKIRNMWAVJJL-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@@H](CF)NC(=O)c1cnn(CCN(C)C)c1 ZINC000633085533 357958561 /nfs/dbraw/zinc/95/85/61/357958561.db2.gz YMPHAILZUBIKIO-VIFPVBQESA-N 0 3 242.298 0.533 20 0 BCADHN CC[C@H](O)CCNC(=O)C1(N)CCC1 ZINC000218843845 357968142 /nfs/dbraw/zinc/96/81/42/357968142.db2.gz YFYKZBUHAVGALK-QMMMGPOBSA-N 0 3 200.282 0.145 20 0 BCADHN COc1cccc(CNCCC(N)=O)c1 ZINC000035133364 357970670 /nfs/dbraw/zinc/97/06/70/357970670.db2.gz COXWEWXUWJUXOK-UHFFFAOYSA-N 0 3 208.261 0.660 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@H](C)OC ZINC000168649044 134238232 /nfs/dbraw/zinc/23/82/32/134238232.db2.gz HRCMUZMREBGQPJ-JTQLQIEISA-N 0 3 216.325 0.822 20 0 BCADHN COC[C@](C)(CO)NCc1cncc(C)c1 ZINC000639956004 357977949 /nfs/dbraw/zinc/97/79/49/357977949.db2.gz ALGLBOYYPVQSIV-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN COC[C@](C)(CO)NCCc1cccnc1 ZINC000639955931 357978105 /nfs/dbraw/zinc/97/81/05/357978105.db2.gz AVDICMDNMRRYDD-LBPRGKRZSA-N 0 3 224.304 0.611 20 0 BCADHN COC[C@@](C)(CO)NCCc1csc(C)n1 ZINC000639957075 357980788 /nfs/dbraw/zinc/98/07/88/357980788.db2.gz IXVPJJSSFIUEQT-LLVKDONJSA-N 0 3 244.360 0.981 20 0 BCADHN CC[C@@H](CN[C@@](C)(CO)COC)OC ZINC000639957131 357981137 /nfs/dbraw/zinc/98/11/37/357981137.db2.gz JPEDDEYQDGHVEQ-UWVGGRQHSA-N 0 3 205.298 0.398 20 0 BCADHN COC[C@@](C)(CO)NCCOCC(F)(F)F ZINC000639954957 357986577 /nfs/dbraw/zinc/98/65/77/357986577.db2.gz HMTVMWWGNCUVTG-MRVPVSSYSA-N 0 3 245.241 0.552 20 0 BCADHN Nc1nc(N)nc(NCC(F)(F)F)n1 ZINC000137861266 358005902 /nfs/dbraw/zinc/00/59/02/358005902.db2.gz XYGXCKGMBWDGEN-UHFFFAOYSA-N 0 3 208.147 0.010 20 0 BCADHN CCCNC(=O)CNC(=O)[C@H](N)CC(C)C ZINC000035663420 358017390 /nfs/dbraw/zinc/01/73/90/358017390.db2.gz RWLRFPKBOPJCGM-SECBINFHSA-N 0 3 229.324 0.002 20 0 BCADHN C[C@@H]1[C@H](N[C@@H]2CSC[C@H]2C)CCS1(=O)=O ZINC000628453559 358010253 /nfs/dbraw/zinc/01/02/53/358010253.db2.gz JJMUVSCHRYHNQM-ZYUZMQFOSA-N 0 3 249.401 0.903 20 0 BCADHN CCOC(=O)CCCCN1C[C@H](O)C[C@H](O)C1 ZINC000610604344 358015325 /nfs/dbraw/zinc/01/53/25/358015325.db2.gz MNLXLRWTJYLAAS-PHIMTYICSA-N 0 3 245.319 0.147 20 0 BCADHN CC(C)OC(=O)CCN1CC[C@H](O)C1 ZINC000075715770 325307134 /nfs/dbraw/zinc/30/71/34/325307134.db2.gz RKNXLDFZGMEZKV-VIFPVBQESA-N 0 3 201.266 0.395 20 0 BCADHN O=C(CC(F)(F)F)NC[C@H]1CNCCO1 ZINC000036285519 358019281 /nfs/dbraw/zinc/01/92/81/358019281.db2.gz UARKNWJDIRAGLM-ZCFIWIBFSA-N 0 3 226.198 0.043 20 0 BCADHN CO[C@@H]1CN(CCc2cn[nH]c2)[C@](C)(CO)C1 ZINC000640001822 358037387 /nfs/dbraw/zinc/03/73/87/358037387.db2.gz DGDDOXDRWCQJKZ-RYUDHWBXSA-N 0 3 239.319 0.424 20 0 BCADHN Cc1[nH]ncc1CN(C)C[C@H](C)S(C)(=O)=O ZINC000639970691 358023988 /nfs/dbraw/zinc/02/39/88/358023988.db2.gz IUOUMPRLOIDLPM-QMMMGPOBSA-N 0 3 245.348 0.583 20 0 BCADHN O=C(N[C@@H]1CC[C@H]1O)N[C@@H]1CCN(C2CC2)C1 ZINC000584526172 358041004 /nfs/dbraw/zinc/04/10/04/358041004.db2.gz ZKJNZUSDPRHBHU-FBIMIBRVSA-N 0 3 239.319 0.046 20 0 BCADHN C[C@H]1CCN(CC(=O)NCC2CCOCC2)C1 ZINC000584538147 358048632 /nfs/dbraw/zinc/04/86/32/358048632.db2.gz HUYWHQDKAYZEGZ-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN CC[C@H](N)C(=O)N(C)CCn1cccn1 ZINC000168807779 134246920 /nfs/dbraw/zinc/24/69/20/134246920.db2.gz OXBHVZRHIBDJFQ-VIFPVBQESA-N 0 3 210.281 0.079 20 0 BCADHN O=C(CNC1CC1)NCc1cccnc1 ZINC000037476919 358070972 /nfs/dbraw/zinc/07/09/72/358070972.db2.gz ZZIHBJPNFJTZQU-UHFFFAOYSA-N 0 3 205.261 0.450 20 0 BCADHN CNC(=O)c1ccc(N[C@H](C)CN(C)C)nn1 ZINC000168934553 134248883 /nfs/dbraw/zinc/24/88/83/134248883.db2.gz VRBMXBFZQNLDMS-MRVPVSSYSA-N 0 3 237.307 0.198 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](C)C(=O)N(C)C ZINC000037481506 358072677 /nfs/dbraw/zinc/07/26/77/358072677.db2.gz OFDHDTCZOLGHHS-LDYMZIIASA-N 0 3 229.324 0.097 20 0 BCADHN CO[C@@H]1CN(CCn2cccn2)[C@@](C)(CO)C1 ZINC000640007343 358073882 /nfs/dbraw/zinc/07/38/82/358073882.db2.gz DEHNYLKJHFBEFG-NWDGAFQWSA-N 0 3 239.319 0.355 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000037043156 358064525 /nfs/dbraw/zinc/06/45/25/358064525.db2.gz RTHVCFQTSSOIIX-ZJUUUORDSA-N 0 3 236.319 0.651 20 0 BCADHN O=C([C@H]1CNCCC1(F)F)N1CCCC1 ZINC000309582578 491120127 /nfs/dbraw/zinc/12/01/27/491120127.db2.gz QWBFYEYVVUSVGC-MRVPVSSYSA-N 0 3 218.247 0.854 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@H](O)C2CC2)C1 ZINC000668461997 491120509 /nfs/dbraw/zinc/12/05/09/491120509.db2.gz INIZASSEVDTKDF-MWLCHTKSSA-N 0 3 226.320 0.215 20 0 BCADHN Cc1c([C@H](C)NC(=O)CNC(C)C)cnn1C ZINC000037609864 358083612 /nfs/dbraw/zinc/08/36/12/358083612.db2.gz DDTUBCLJLKFUSQ-VIFPVBQESA-N 0 3 238.335 0.904 20 0 BCADHN CCn1nccc1CNC(=O)[C@H]1NCC1(C)C ZINC000663001186 491121581 /nfs/dbraw/zinc/12/15/81/491121581.db2.gz QMBMUPCQYVGZDP-SNVBAGLBSA-N 0 3 236.319 0.517 20 0 BCADHN CC1CC(NC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000547297532 325336428 /nfs/dbraw/zinc/33/64/28/325336428.db2.gz QKLGVFJNZNALFQ-RTYFJBAXSA-N 0 3 241.335 0.151 20 0 BCADHN COC(=O)C[C@@H](C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000610716621 358107363 /nfs/dbraw/zinc/10/73/63/358107363.db2.gz GKSCDMABOPZOCM-NXEZZACHSA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@@]1(O)CCCN(CC(=O)N2CCCC2)C1 ZINC000640031430 358124458 /nfs/dbraw/zinc/12/44/58/358124458.db2.gz SCPSAFOCJZUIJP-CYBMUJFWSA-N 0 3 240.347 0.846 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCOC[C@H](C)C1 ZINC000450618497 202213731 /nfs/dbraw/zinc/21/37/31/202213731.db2.gz VHQLORRLAXPKEV-KOLCDFICSA-N 0 3 215.293 0.295 20 0 BCADHN C[C@H](CO)CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044641 358130001 /nfs/dbraw/zinc/13/00/01/358130001.db2.gz WFIOWOAFMJOXRP-XHNCKOQMSA-N 0 3 241.253 0.717 20 0 BCADHN CC[C@H](C)N(C)CC(=O)NCCC(=O)OC ZINC000170915841 134255646 /nfs/dbraw/zinc/25/56/46/134255646.db2.gz CUMGNLOQKYINAY-VIFPVBQESA-N 0 3 230.308 0.396 20 0 BCADHN CCS(=O)(=O)C(C)C(=O)NC1CC1 ZINC000388312544 358130857 /nfs/dbraw/zinc/13/08/57/358130857.db2.gz SNGKZQUBWMMZNS-ZCFIWIBFSA-N 0 3 205.279 0.088 20 0 BCADHN COC(=O)[C@@H]1C[C@H]1C(=O)NC1CCN(C)CC1 ZINC000171180147 134255910 /nfs/dbraw/zinc/25/59/10/134255910.db2.gz TXPKYPKJVSJCCN-NXEZZACHSA-N 0 3 240.303 0.006 20 0 BCADHN O=c1ccccn1CCN1C[C@@H](O)C[C@@H]1C1CC1 ZINC000640028094 358116618 /nfs/dbraw/zinc/11/66/18/358116618.db2.gz QOFGPDFTBWKZDT-QWHCGFSZSA-N 0 3 248.326 0.694 20 0 BCADHN C[C@H](O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000335757073 491122942 /nfs/dbraw/zinc/12/29/42/491122942.db2.gz BPSLESPOSOGZTM-VHSXEESVSA-N 0 3 226.320 0.500 20 0 BCADHN COC[C@@H](O)CN1CCC(C)(F)CC1 ZINC000640071717 358162719 /nfs/dbraw/zinc/16/27/19/358162719.db2.gz RMFQWEBEJOVSGC-VIFPVBQESA-N 0 3 205.273 0.818 20 0 BCADHN Cc1ncc(CN[C@@H](C)[C@H](C)CO)n1C ZINC000584733023 358164985 /nfs/dbraw/zinc/16/49/85/358164985.db2.gz WDWMMEKAHXYLLW-BDAKNGLRSA-N 0 3 211.309 0.835 20 0 BCADHN CC(C)(C)N[C@H]1CC(=O)N(c2cnccn2)C1=O ZINC000584727996 358167345 /nfs/dbraw/zinc/16/73/45/358167345.db2.gz PDYWHJDSJMKVMV-QMMMGPOBSA-N 0 3 248.286 0.497 20 0 BCADHN CCOCCN(C)C[C@@H]1COCCO1 ZINC000450646630 202214104 /nfs/dbraw/zinc/21/41/04/202214104.db2.gz RLVCEVXFWXHNIQ-SNVBAGLBSA-N 0 3 203.282 0.370 20 0 BCADHN CCNC(=O)CN1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000640093052 358185110 /nfs/dbraw/zinc/18/51/10/358185110.db2.gz YZXBBARCGPNUBA-UTUOFQBUSA-N 0 3 240.347 0.748 20 0 BCADHN CCC[C@@H](O)CN1CCSC[C@H]1CO ZINC000450647468 202225143 /nfs/dbraw/zinc/22/51/43/202225143.db2.gz WUQVHRLRUPIXBB-NXEZZACHSA-N 0 3 219.350 0.557 20 0 BCADHN C[C@H](c1cnccn1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000584843902 358200574 /nfs/dbraw/zinc/20/05/74/358200574.db2.gz RLBNOLMRZXMECW-RTXFEEFZSA-N 0 3 248.330 0.600 20 0 BCADHN CC[C@H](C)CN(C)CC(=O)NC(N)=O ZINC000171950003 134262843 /nfs/dbraw/zinc/26/28/43/134262843.db2.gz OYDMMBGASPQOAO-ZETCQYMHSA-N 0 3 201.270 0.159 20 0 BCADHN COCCCCN(CC(N)=O)C(C)C ZINC000172071622 134261311 /nfs/dbraw/zinc/26/13/11/134261311.db2.gz MBERPLALOASFTR-UHFFFAOYSA-N 0 3 202.298 0.609 20 0 BCADHN CC[C@@H](C)[C@H](O)C(=O)NCCOCCN(C)C ZINC000450656484 202229495 /nfs/dbraw/zinc/22/94/95/202229495.db2.gz WAPANWNVAHONLJ-MNOVXSKESA-N 0 3 246.351 0.088 20 0 BCADHN CCC[C@H](O)CN1CC[C@@H](N2CCCC2=O)C1 ZINC000450634500 202220972 /nfs/dbraw/zinc/22/09/72/202220972.db2.gz GCGWIYAUEWAXBW-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN CN(CCN1CCCC1=O)[C@@H](CO)C(C)(C)C ZINC000134392683 325356896 /nfs/dbraw/zinc/35/68/96/325356896.db2.gz QLXKEERKISQSGG-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN C[C@H](C(N)=O)N1CCSC[C@@H](C)C1 ZINC000248950239 358223278 /nfs/dbraw/zinc/22/32/78/358223278.db2.gz AZYNFQNGAVIDJT-JGVFFNPUSA-N 0 3 202.323 0.545 20 0 BCADHN CCCCN(CCCO)Cc1c[nH]nn1 ZINC000450686724 202235092 /nfs/dbraw/zinc/23/50/92/202235092.db2.gz DEIUHIDKICFSKL-UHFFFAOYSA-N 0 3 212.297 0.789 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1cc[nH]n1 ZINC000041016227 358241257 /nfs/dbraw/zinc/24/12/57/358241257.db2.gz BBUZNZOIPGVBLA-APPZFPTMSA-N 0 3 210.281 0.399 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cccc2c1OCO2 ZINC000040667854 358244985 /nfs/dbraw/zinc/24/49/85/358244985.db2.gz OJPTZYXLEFKXNP-SECBINFHSA-N 0 3 236.271 0.769 20 0 BCADHN CCOCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000261528278 535411389 /nfs/dbraw/zinc/41/13/89/535411389.db2.gz LPCDJMSBENQTQW-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ccc(C(=O)NC)cc1 ZINC000040800551 358246411 /nfs/dbraw/zinc/24/64/11/358246411.db2.gz IWWWHAWUVIITCL-LLVKDONJSA-N 0 3 249.314 0.400 20 0 BCADHN CC[C@@H](N)C(=O)NCCOCC1CC1 ZINC000225284845 358247674 /nfs/dbraw/zinc/24/76/74/358247674.db2.gz LXMVODFGAHJUQU-SECBINFHSA-N 0 3 200.282 0.267 20 0 BCADHN CC[C@H](NCc1cn[nH]n1)[C@H]1CCCO1 ZINC000450726170 202246555 /nfs/dbraw/zinc/24/65/55/202246555.db2.gz KHGJFMHBWKLTRP-VHSXEESVSA-N 0 3 210.281 0.852 20 0 BCADHN CC(=O)[C@@](C)(O)CN(C)CC1(O)CCC1 ZINC000450745276 202253174 /nfs/dbraw/zinc/25/31/74/202253174.db2.gz OUBZNCBVZPFTTD-JTQLQIEISA-N 0 3 215.293 0.173 20 0 BCADHN CCC[C@@H](O)CN1CCCC[C@@]1(C)C(N)=O ZINC000450744082 202253528 /nfs/dbraw/zinc/25/35/28/202253528.db2.gz KRBZYQXLCAINSS-PWSUYJOCSA-N 0 3 228.336 0.877 20 0 BCADHN C[C@H](O)CCN1CCCC[C@@]1(C)C(N)=O ZINC000450744049 202254096 /nfs/dbraw/zinc/25/40/96/202254096.db2.gz KNYHVIOWUKOZOH-ONGXEEELSA-N 0 3 214.309 0.487 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)CC1(O)CCC1 ZINC000450745278 202254136 /nfs/dbraw/zinc/25/41/36/202254136.db2.gz OUBZNCBVZPFTTD-SNVBAGLBSA-N 0 3 215.293 0.173 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000389081753 358282718 /nfs/dbraw/zinc/28/27/18/358282718.db2.gz YVTYOBSCBYLPIB-IVZWLZJFSA-N 0 3 214.309 0.655 20 0 BCADHN CCC[C@H](O)CN1CC[C@@H](NC(=O)NC)C1 ZINC000450757845 202259354 /nfs/dbraw/zinc/25/93/54/202259354.db2.gz LPLUQWGPSPIGDE-ZJUUUORDSA-N 0 3 229.324 0.151 20 0 BCADHN CC[C@@H](C(=O)N1CCCOC[C@@H]1C)N(C)C ZINC000665772820 491128530 /nfs/dbraw/zinc/12/85/30/491128530.db2.gz UPGDYDJYVRVQHT-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CCCNC(=O)CCCN(CCC)CC(N)=O ZINC000578203593 366389083 /nfs/dbraw/zinc/38/90/83/366389083.db2.gz XFHLKCXZLUYUKG-UHFFFAOYSA-N 0 3 243.351 0.490 20 0 BCADHN Cc1c(CNC(=O)C(C)(C)N)cnn1C ZINC000226415061 358339004 /nfs/dbraw/zinc/33/90/04/358339004.db2.gz CHZGFXAGTANDJH-UHFFFAOYSA-N 0 3 210.281 0.082 20 0 BCADHN CC[C@H](N)C(=O)NCc1cnn(C)c1C ZINC000226414122 358339295 /nfs/dbraw/zinc/33/92/95/358339295.db2.gz UJBAIXMLUWLTFO-VIFPVBQESA-N 0 3 210.281 0.082 20 0 BCADHN CCn1ccnc1CNCCCOCCO ZINC000227333835 358354277 /nfs/dbraw/zinc/35/42/77/358354277.db2.gz MXFXAXMEJZHDNZ-UHFFFAOYSA-N 0 3 227.308 0.392 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N[C@H]1C[C@@H](O)C1(C)C ZINC000226597577 358340727 /nfs/dbraw/zinc/34/07/27/358340727.db2.gz PUINFPOQIOBCLE-GARJFASQSA-N 0 3 242.363 0.992 20 0 BCADHN C[C@H]1C[C@@H](NCC(=O)NCC2CC2)CCO1 ZINC000226515291 358340734 /nfs/dbraw/zinc/34/07/34/358340734.db2.gz KDWAEYNTIWVAGZ-ONGXEEELSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@H](NC(=O)CNC1CC1)c1cn[nH]c1 ZINC000226696842 358342806 /nfs/dbraw/zinc/34/28/06/358342806.db2.gz MBGRHPDIEPIBJP-ZETCQYMHSA-N 0 3 208.265 0.339 20 0 BCADHN O=S(=O)(NCCN1CCCCCC1)C1CC1 ZINC000173018511 134272117 /nfs/dbraw/zinc/27/21/17/134272117.db2.gz FNCJHTSSFIQMEB-UHFFFAOYSA-N 0 3 246.376 0.944 20 0 BCADHN C[C@H](NC(=O)C1(N)CCC1)C(=O)NC(C)(C)C ZINC000229070092 358345040 /nfs/dbraw/zinc/34/50/40/358345040.db2.gz OVKMPYOWPVOSBR-QMMMGPOBSA-N 0 3 241.335 0.287 20 0 BCADHN CCC(CC)[C@@H](O)CNC(=O)CNC1CC1 ZINC000229086524 358345141 /nfs/dbraw/zinc/34/51/41/358345141.db2.gz JRAXYRYQZKSYFA-NSHDSACASA-N 0 3 228.336 0.652 20 0 BCADHN O=C(COC[C@@H]1CCCO1)N1CCCNCC1 ZINC000042355039 358346639 /nfs/dbraw/zinc/34/66/39/358346639.db2.gz XXTYDLDAJJSBMO-NSHDSACASA-N 0 3 242.319 0.004 20 0 BCADHN O=C(CNC1CC1)N1CCCSCC1 ZINC000042444740 358348862 /nfs/dbraw/zinc/34/88/62/358348862.db2.gz HJUOLGYOSRRISL-UHFFFAOYSA-N 0 3 214.334 0.704 20 0 BCADHN CC[C@@H](N)C(=O)N(CC)C[C@@H]1CCCO1 ZINC000042470764 358349686 /nfs/dbraw/zinc/34/96/86/358349686.db2.gz QYKQSLYKTIDCQA-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN O=C(C[C@H]1CSCCN1)N[C@H]1CCSC1 ZINC000227210117 358352340 /nfs/dbraw/zinc/35/23/40/358352340.db2.gz UCYYZKGYHBFHKJ-IUCAKERBSA-N 0 3 246.401 0.703 20 0 BCADHN O=C(C[C@H]1CSCCN1)N[C@@H]1CCSC1 ZINC000227210099 358352806 /nfs/dbraw/zinc/35/28/06/358352806.db2.gz UCYYZKGYHBFHKJ-BDAKNGLRSA-N 0 3 246.401 0.703 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)CCc1ccccn1 ZINC000227346543 358353846 /nfs/dbraw/zinc/35/38/46/358353846.db2.gz CNIYUSSJTVRXJJ-NSHDSACASA-N 0 3 237.303 0.056 20 0 BCADHN CS(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000173632223 134276052 /nfs/dbraw/zinc/27/60/52/134276052.db2.gz UCPOQQIYJCQNFI-LLVKDONJSA-N 0 3 246.376 0.754 20 0 BCADHN CC(C)(C)NC(=O)CCNC(=O)C1(N)CCC1 ZINC000228384651 358374712 /nfs/dbraw/zinc/37/47/12/358374712.db2.gz OTFKIDJEFLEHHV-UHFFFAOYSA-N 0 3 241.335 0.289 20 0 BCADHN Nc1cnc(C(=O)NCCN2CCCCC2)cn1 ZINC000228575682 358380184 /nfs/dbraw/zinc/38/01/84/358380184.db2.gz UBNPSBKFQLDCJJ-UHFFFAOYSA-N 0 3 249.318 0.275 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cc(C(C)C)[nH]n1 ZINC000227403252 358355915 /nfs/dbraw/zinc/35/59/15/358355915.db2.gz XWAIXOWZLVRPQR-MRVPVSSYSA-N 0 3 226.280 0.445 20 0 BCADHN CO[C@H](CN)C(=O)NCC(C1CC1)C1CC1 ZINC000227388233 358356168 /nfs/dbraw/zinc/35/61/68/358356168.db2.gz VOMAHGLNWANSOG-LLVKDONJSA-N 0 3 226.320 0.513 20 0 BCADHN COCCC(C)(C)CNC(=O)[C@@H](CN)OC ZINC000227418757 358356804 /nfs/dbraw/zinc/35/68/04/358356804.db2.gz XZECBIWSLCVGRO-SECBINFHSA-N 0 3 232.324 0.139 20 0 BCADHN O=C(CNC1CC1)NC[C@H]1CCCCO1 ZINC000042823896 358359929 /nfs/dbraw/zinc/35/99/29/358359929.db2.gz AFLIJTSTYRLVRQ-SNVBAGLBSA-N 0 3 212.293 0.424 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@@H]1C[C@@H](O)C1(C)C ZINC000228861072 358387156 /nfs/dbraw/zinc/38/71/56/358387156.db2.gz GOPKDAKRUCQQML-HBNTYKKESA-N 0 3 242.363 0.896 20 0 BCADHN COCCN1CC[C@@H](N2CCOCC2)C1 ZINC000173933357 134276715 /nfs/dbraw/zinc/27/67/15/134276715.db2.gz HVTVQXSWZHYCOI-LLVKDONJSA-N 0 3 214.309 0.039 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](N)CC(C)C)no1 ZINC000044727123 358393364 /nfs/dbraw/zinc/39/33/64/358393364.db2.gz VBGKEBHBWBLGET-JTQLQIEISA-N 0 3 225.292 0.973 20 0 BCADHN COc1cc(-c2noc([C@@H]3CCCN3)n2)ncn1 ZINC000230143128 358394593 /nfs/dbraw/zinc/39/45/93/358394593.db2.gz GRKLMWCVPYKKCB-ZETCQYMHSA-N 0 3 247.258 0.960 20 0 BCADHN CO[C@H]1CN(C(=O)[C@@H](C)N)CC[C@@H]1C ZINC000230242359 358395888 /nfs/dbraw/zinc/39/58/88/358395888.db2.gz WLICRZLGDIZXSU-YIZRAAEISA-N 0 3 200.282 0.217 20 0 BCADHN CN1CC[C@@H](NC[C@H](O)CC2CCCC2)C1=O ZINC000230260735 358396864 /nfs/dbraw/zinc/39/68/64/358396864.db2.gz PJWMKBKZWGOECP-VXGBXAGGSA-N 0 3 240.347 0.748 20 0 BCADHN CN1CC[C@@H](NC[C@@H](O)CC2CCCC2)C1=O ZINC000230260731 358396928 /nfs/dbraw/zinc/39/69/28/358396928.db2.gz PJWMKBKZWGOECP-NWDGAFQWSA-N 0 3 240.347 0.748 20 0 BCADHN CNC(=O)C(C)(C)CNC(=O)[C@H]1CCCCN1 ZINC000230392765 358398784 /nfs/dbraw/zinc/39/87/84/358398784.db2.gz BUKSVRJVTRVLSR-SECBINFHSA-N 0 3 241.335 0.017 20 0 BCADHN CNC(=O)C(C)(C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000230392379 358398919 /nfs/dbraw/zinc/39/89/19/358398919.db2.gz HZONEERBCCXKMR-MRVPVSSYSA-N 0 3 243.351 0.248 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@H]1CCSC1 ZINC000231353519 358417098 /nfs/dbraw/zinc/41/70/98/358417098.db2.gz IERUVNXQAULONT-JGVFFNPUSA-N 0 3 234.390 0.689 20 0 BCADHN C[C@@H]1OCC[C@@H]1NCC(=O)NC1CCCC1 ZINC000134546467 491132552 /nfs/dbraw/zinc/13/25/52/491132552.db2.gz SLYQCCYMXGJLRB-ONGXEEELSA-N 0 3 226.320 0.812 20 0 BCADHN CCN(C)C[C@H](O)CSc1nncs1 ZINC000379509185 358522192 /nfs/dbraw/zinc/52/21/92/358522192.db2.gz VDPHJNXIRSDUSU-ZETCQYMHSA-N 0 3 233.362 0.943 20 0 BCADHN CC(C(=O)NCC1CC(C)(C)C1)S(C)(=O)=O ZINC000547728368 325389190 /nfs/dbraw/zinc/38/91/90/325389190.db2.gz CXFXSGGZGXAFFH-MRVPVSSYSA-N 0 3 247.360 0.972 20 0 BCADHN CC(C)[C@H](C(=O)N(C)CCO)N(C)C ZINC000131961374 491134351 /nfs/dbraw/zinc/13/43/51/491134351.db2.gz DJEUFNHUYYJSSI-SECBINFHSA-N 0 3 202.298 0.023 20 0 BCADHN C[C@H]1CC[C@H](C)N(CC(=O)N2CCOCC2)C1 ZINC000174472150 134281781 /nfs/dbraw/zinc/28/17/81/134281781.db2.gz HALJJJJIPAGVGG-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C)CCn1nccc1NC(=O)N1CC=CC1 ZINC000640170437 358534097 /nfs/dbraw/zinc/53/40/97/358534097.db2.gz BWFVKKYBIQSTIA-UHFFFAOYSA-N 0 3 249.318 0.848 20 0 BCADHN CCCCN(CCC(=O)NC(C)C)CC(N)=O ZINC000048048662 358613495 /nfs/dbraw/zinc/61/34/95/358613495.db2.gz QQOQYVQBTWPSHP-UHFFFAOYSA-N 0 3 243.351 0.489 20 0 BCADHN CC[C@@H](CCO)CNC(=O)CN(C)C(C)C ZINC000130293842 358616850 /nfs/dbraw/zinc/61/68/50/358616850.db2.gz VWFKRVGIUJGRLJ-NSHDSACASA-N 0 3 230.352 0.851 20 0 BCADHN COCCNCCNC(=O)CC[C@H]1CCCO1 ZINC000212743248 358621269 /nfs/dbraw/zinc/62/12/69/358621269.db2.gz LDYPJOFQOKBSHQ-LLVKDONJSA-N 0 3 244.335 0.298 20 0 BCADHN CN1CC[C@H]2CCN(C(=O)NCC(F)F)[C@@H]2C1 ZINC000640195914 358629179 /nfs/dbraw/zinc/62/91/79/358629179.db2.gz UBMNHKOBEVVYBX-DTWKUNHWSA-N 0 3 247.289 0.987 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1ccc(=O)[nH]c1 ZINC000130527714 358631110 /nfs/dbraw/zinc/63/11/10/358631110.db2.gz FBXBUEOCJFUQKR-MRVPVSSYSA-N 0 3 223.276 0.055 20 0 BCADHN C[C@@H]1CO[C@H](CO)CN1CCN1CCCCC1 ZINC000129714320 358594268 /nfs/dbraw/zinc/59/42/68/358594268.db2.gz LDMKIUXOGKCGTQ-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN CN1CCC(NC(=O)NCc2ccncc2)CC1 ZINC000047596648 358594287 /nfs/dbraw/zinc/59/42/87/358594287.db2.gz OAAKMHPPGJTPKY-UHFFFAOYSA-N 0 3 248.330 0.975 20 0 BCADHN Cn1nncc1CN[C@@H]1CCCSC1 ZINC000129792757 358596703 /nfs/dbraw/zinc/59/67/03/358596703.db2.gz IGDLQRFCQPQBFN-MRVPVSSYSA-N 0 3 212.322 0.800 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)NCC(F)F)[C@@H]2C1 ZINC000640192782 358598005 /nfs/dbraw/zinc/59/80/05/358598005.db2.gz GTVLNHWLPLDFAK-DTWKUNHWSA-N 0 3 247.289 0.987 20 0 BCADHN C[C@H](NCC1(CO)CC1)c1cnccn1 ZINC000132363999 491135498 /nfs/dbraw/zinc/13/54/98/491135498.db2.gz AJMBBOHRGSLKCH-VIFPVBQESA-N 0 3 207.277 0.900 20 0 BCADHN C[C@H](NCC1(CO)CC1)c1cnn(C)c1 ZINC000132366036 491135509 /nfs/dbraw/zinc/13/55/09/491135509.db2.gz DKOYZYLLRFXXBG-VIFPVBQESA-N 0 3 209.293 0.843 20 0 BCADHN Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)on1 ZINC000049515952 358693483 /nfs/dbraw/zinc/69/34/83/358693483.db2.gz DTKAPLOKGRXGSO-JTQLQIEISA-N 0 3 235.287 0.903 20 0 BCADHN Cc1ccc([C@H](C)NC(=O)C(=O)NCCN)cc1 ZINC000049551604 358694681 /nfs/dbraw/zinc/69/46/81/358694681.db2.gz WZIUQPRAFZSGNZ-JTQLQIEISA-N 0 3 249.314 0.247 20 0 BCADHN CC[C@@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000131870552 358698718 /nfs/dbraw/zinc/69/87/18/358698718.db2.gz ZWTZYABXOGIFMG-SCZZXKLOSA-N 0 3 229.324 0.001 20 0 BCADHN C[C@H]1OCC[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000133179805 358746862 /nfs/dbraw/zinc/74/68/62/358746862.db2.gz WGKMCPUHQNMFGN-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000133180043 358747001 /nfs/dbraw/zinc/74/70/01/358747001.db2.gz WGKMCPUHQNMFGN-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN COCCOCCCCNC(=O)[C@@H](N)C(C)C ZINC000133279963 358749882 /nfs/dbraw/zinc/74/98/82/358749882.db2.gz VJUOZYQYPORZFH-NSHDSACASA-N 0 3 246.351 0.529 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H](COC)C1 ZINC000352227406 535434188 /nfs/dbraw/zinc/43/41/88/535434188.db2.gz NOGRXYORIWZUFA-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000052009997 358771131 /nfs/dbraw/zinc/77/11/31/358771131.db2.gz WLXIKCOBZCLAEZ-HBNTYKKESA-N 0 3 228.336 0.780 20 0 BCADHN OCCOC1CCN(C[C@@H]2CCCO2)CC1 ZINC000133686302 358763463 /nfs/dbraw/zinc/76/34/63/358763463.db2.gz VFAMOEVWVNIKLJ-LBPRGKRZSA-N 0 3 229.320 0.639 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CO)CCSC)N(C)C ZINC000132186208 358709707 /nfs/dbraw/zinc/70/97/07/358709707.db2.gz AOBJTUHAHJXISJ-NXEZZACHSA-N 0 3 248.392 0.557 20 0 BCADHN CN(C(=O)CN1CCCC[C@H]1CCO)C1CC1 ZINC000050105160 358716127 /nfs/dbraw/zinc/71/61/27/358716127.db2.gz KYCUXFMRHZXNQL-LBPRGKRZSA-N 0 3 240.347 0.844 20 0 BCADHN O=C(CN1CCCC[C@H]1CCO)N1CCC1 ZINC000050104960 358716335 /nfs/dbraw/zinc/71/63/35/358716335.db2.gz NESFQIGCHPDHMQ-NSHDSACASA-N 0 3 226.320 0.456 20 0 BCADHN C[C@@H](CCO)NCc1cnc(N(C)C)n1C ZINC000132412295 358723386 /nfs/dbraw/zinc/72/33/86/358723386.db2.gz ZAPTVBOSPGMHCX-VIFPVBQESA-N 0 3 226.324 0.347 20 0 BCADHN CCOC(=O)CCCCN1CCNC(=O)CC1 ZINC000132795606 358736094 /nfs/dbraw/zinc/73/60/94/358736094.db2.gz MSSRCWJLYOKIEJ-UHFFFAOYSA-N 0 3 242.319 0.542 20 0 BCADHN COCC(=O)N(CCN(C)C)C1CCCC1 ZINC000053152500 358813916 /nfs/dbraw/zinc/81/39/16/358813916.db2.gz JCXYFCXVFQFVQG-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CN1CCN(Cc2c[nH]cn2)CC1(C)C ZINC000578244861 366469052 /nfs/dbraw/zinc/46/90/52/366469052.db2.gz PSHRYAHCXXBDOJ-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN CN1CCN(Cc2cnc[nH]2)CC1(C)C ZINC000578244861 366469061 /nfs/dbraw/zinc/46/90/61/366469061.db2.gz PSHRYAHCXXBDOJ-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN CO[C@]1(C)C[C@@H](NCC(=O)N(C)C)C1(C)C ZINC000134457505 358790717 /nfs/dbraw/zinc/79/07/17/358790717.db2.gz WJQUYZXHCMQMQS-BXKDBHETSA-N 0 3 228.336 0.868 20 0 BCADHN C(COC[C@H]1CCCO1)NC1CSC1 ZINC000308492313 491136626 /nfs/dbraw/zinc/13/66/26/491136626.db2.gz CBGIYJBXCKYOPV-SNVBAGLBSA-N 0 3 217.334 0.887 20 0 BCADHN O=C(CNC1(CO)CCCC1)N1CCCCC1 ZINC000053069949 358807829 /nfs/dbraw/zinc/80/78/29/358807829.db2.gz OVIIXAJZIDFVBI-UHFFFAOYSA-N 0 3 240.347 0.894 20 0 BCADHN CC(C)CNC(=O)CNC1(CO)CCCC1 ZINC000053070059 358808067 /nfs/dbraw/zinc/80/80/67/358808067.db2.gz XJZUOKNVVDCNDZ-UHFFFAOYSA-N 0 3 228.336 0.653 20 0 BCADHN C[C@H](NC1CSC1)C1(S(C)(=O)=O)CC1 ZINC000308655620 491137619 /nfs/dbraw/zinc/13/76/19/491137619.db2.gz NYOAFTAADOQSGS-ZETCQYMHSA-N 0 3 235.374 0.657 20 0 BCADHN COCCOCCN1CCC(OCCO)CC1 ZINC000135392646 358836234 /nfs/dbraw/zinc/83/62/34/358836234.db2.gz CRILTXJYYYTNNE-UHFFFAOYSA-N 0 3 247.335 0.123 20 0 BCADHN CC[C@@H](O)CN1CCOC2(CCOCC2)C1 ZINC000135586523 358845532 /nfs/dbraw/zinc/84/55/32/358845532.db2.gz PMEYMTPKYVSCMS-LLVKDONJSA-N 0 3 229.320 0.639 20 0 BCADHN CNc1ccc(C(=O)NCCN2CCCC2)cn1 ZINC000054132750 358854632 /nfs/dbraw/zinc/85/46/32/358854632.db2.gz LQDFPVIERZNJPW-UHFFFAOYSA-N 0 3 248.330 0.949 20 0 BCADHN CNC(=O)C1CCN(CCOC)CC1 ZINC000054171965 358854761 /nfs/dbraw/zinc/85/47/61/358854761.db2.gz KYFYEXWRQJLVRD-UHFFFAOYSA-N 0 3 200.282 0.091 20 0 BCADHN CC(C)[C@@H]1C[C@@H](N[C@H](C)C(N)=O)CS1 ZINC000308674282 491137740 /nfs/dbraw/zinc/13/77/40/491137740.db2.gz VSYXVIHIJKWGCQ-HLTSFMKQSA-N 0 3 216.350 0.980 20 0 BCADHN COC(=O)CNC(=O)CN1CC[C@H](C)[C@H]1C ZINC000177065299 134297420 /nfs/dbraw/zinc/29/74/20/134297420.db2.gz VMPLDBLYWQYBSF-DTWKUNHWSA-N 0 3 228.292 0.006 20 0 BCADHN c1cc2n(n1)CCC[C@@H]2NCCc1cn[nH]n1 ZINC000640221158 358891701 /nfs/dbraw/zinc/89/17/01/358891701.db2.gz STCIGJGYSMWIBG-JTQLQIEISA-N 0 3 232.291 0.668 20 0 BCADHN COC(=O)[C@]1(C)CCN(CCC(C)=O)C1 ZINC000177423351 134298130 /nfs/dbraw/zinc/29/81/30/134298130.db2.gz IFQVEHHKOBWXPH-LLVKDONJSA-N 0 3 213.277 0.851 20 0 BCADHN COC(=O)CCCN1CC[C@@](C)(C(=O)OC)C1 ZINC000177453845 134298174 /nfs/dbraw/zinc/29/81/74/134298174.db2.gz LDQPXZXXYWTUPN-GFCCVEGCSA-N 0 3 243.303 0.825 20 0 BCADHN NC(=O)NC(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000177518481 134298586 /nfs/dbraw/zinc/29/85/86/134298586.db2.gz SGTYADILMBRPAB-DTORHVGOSA-N 0 3 225.292 0.303 20 0 BCADHN Cc1ncc2c(n1)CCN(C(=O)[C@@H]1C[C@@H]1N)C2 ZINC000578348773 366531950 /nfs/dbraw/zinc/53/19/50/366531950.db2.gz OHVVZDDYCOPALQ-ZJUUUORDSA-N 0 3 232.287 0.017 20 0 BCADHN COC(=O)CN1CCCN(C2CC2)CC1 ZINC000061041063 358931214 /nfs/dbraw/zinc/93/12/14/358931214.db2.gz NXBYBPHTQDJGSY-UHFFFAOYSA-N 0 3 212.293 0.330 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCN(C)CCOC ZINC000061380735 358933139 /nfs/dbraw/zinc/93/31/39/358933139.db2.gz SQLUEBVYZUPNIM-LLVKDONJSA-N 0 3 245.367 0.198 20 0 BCADHN CN(C[C@H](O)CN1OC2CCC1CC2)C1CC1 ZINC000640230886 358944221 /nfs/dbraw/zinc/94/42/21/358944221.db2.gz VPXSKRVIQJSUKK-CPCZMJQVSA-N 0 3 240.347 1.000 20 0 BCADHN CCO[C@@H]1C[C@@H](O)C12CCN(CCO)CC2 ZINC000177807074 134300179 /nfs/dbraw/zinc/30/01/79/134300179.db2.gz NFBNDIMGRGHRRK-GHMZBOCLSA-N 0 3 229.320 0.231 20 0 BCADHN CN(C)CCNC(=O)c1[nH]nc2ccccc21 ZINC000070286970 359048847 /nfs/dbraw/zinc/04/88/47/359048847.db2.gz CMXHPCKEKHZXHX-UHFFFAOYSA-N 0 3 232.287 0.854 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCC(COC)CC1 ZINC000069633012 359030787 /nfs/dbraw/zinc/03/07/87/359030787.db2.gz NYRVPJOCRGZZIC-LLVKDONJSA-N 0 3 228.336 0.999 20 0 BCADHN CCNC(=O)CN[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000069861749 359035801 /nfs/dbraw/zinc/03/58/01/359035801.db2.gz LFQNRICYLWUPBB-GHMZBOCLSA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@@](C)(NC(=O)[C@H](C)NC)C(=O)OC ZINC000514678333 259482266 /nfs/dbraw/zinc/48/22/66/259482266.db2.gz AXSIJODWJOSNQQ-OIBJUYFYSA-N 0 3 216.281 0.052 20 0 BCADHN CC(C)(O)CN1CCN(C[C@H]2CCCO2)CC1 ZINC000070939966 359065856 /nfs/dbraw/zinc/06/58/56/359065856.db2.gz WWRCPXRNUPUFNX-GFCCVEGCSA-N 0 3 242.363 0.554 20 0 BCADHN COC(=O)[C@H](NC(=O)CN(C)C(C)C)C(C)C ZINC000072948845 359092926 /nfs/dbraw/zinc/09/29/26/359092926.db2.gz VXRAGWPZWQDGOA-LLVKDONJSA-N 0 3 244.335 0.640 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000618718353 359114286 /nfs/dbraw/zinc/11/42/86/359114286.db2.gz RSMXXGVGFWPWIK-WCQYABFASA-N 0 3 240.347 0.822 20 0 BCADHN CCN(CC)CC(=O)NCCCCC(=O)OC ZINC000070882204 359065290 /nfs/dbraw/zinc/06/52/90/359065290.db2.gz FWQPQEWGTBETNE-UHFFFAOYSA-N 0 3 244.335 0.788 20 0 BCADHN COC[C@H](C)N1CCC(C(=O)N(C)C)CC1 ZINC000075590592 359178508 /nfs/dbraw/zinc/17/85/08/359178508.db2.gz LEGAAUJZKFZRNQ-JTQLQIEISA-N 0 3 228.336 0.822 20 0 BCADHN C[C@H](O)CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000247013664 359184248 /nfs/dbraw/zinc/18/42/48/359184248.db2.gz CGBUIGFUTHVGEO-MNOVXSKESA-N 0 3 230.352 0.144 20 0 BCADHN C[C@H](O)CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000247013681 359184543 /nfs/dbraw/zinc/18/45/43/359184543.db2.gz CGBUIGFUTHVGEO-QWRGUYRKSA-N 0 3 230.352 0.144 20 0 BCADHN Cc1cccc(C(=O)NCCN(C)C)n1 ZINC000074725447 359126285 /nfs/dbraw/zinc/12/62/85/359126285.db2.gz MPYRITGRYVGOMB-UHFFFAOYSA-N 0 3 207.277 0.681 20 0 BCADHN CO[C@H](C)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000246616140 359151931 /nfs/dbraw/zinc/15/19/31/359151931.db2.gz JTGALNHIXNFXMD-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CCN1CC[C@@H](CN[C@H](C)CS(C)(=O)=O)C1 ZINC000246677706 359156876 /nfs/dbraw/zinc/15/68/76/359156876.db2.gz NBPWBTXKQUXEHV-MNOVXSKESA-N 0 3 248.392 0.351 20 0 BCADHN c1cn(CCCNCc2cn[nH]c2)nn1 ZINC000308863720 491139294 /nfs/dbraw/zinc/13/92/94/491139294.db2.gz WCFSGEZZEXPOFY-UHFFFAOYSA-N 0 3 206.253 0.181 20 0 BCADHN O[C@@]1(CNCc2cncnc2)CCSC1 ZINC000308874370 491139523 /nfs/dbraw/zinc/13/95/23/491139523.db2.gz MKPDETLZQQOWRS-SNVBAGLBSA-N 0 3 225.317 0.434 20 0 BCADHN O[C@]1(CNCc2cncnc2)CCSC1 ZINC000308874369 491139525 /nfs/dbraw/zinc/13/95/25/491139525.db2.gz MKPDETLZQQOWRS-JTQLQIEISA-N 0 3 225.317 0.434 20 0 BCADHN CN(C)[C@@H]1CCCN([C@H]2CCN(C)C2=O)C1 ZINC000247572730 359235429 /nfs/dbraw/zinc/23/54/29/359235429.db2.gz WYQKBKGPDBOTTM-MNOVXSKESA-N 0 3 225.336 0.243 20 0 BCADHN COCCN1CCC[C@H]1CN1CCOCC1 ZINC000075889423 359243848 /nfs/dbraw/zinc/24/38/48/359243848.db2.gz SPDAJGRIXWITMB-LBPRGKRZSA-N 0 3 228.336 0.429 20 0 BCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CCOC1 ZINC000247213603 359202332 /nfs/dbraw/zinc/20/23/32/359202332.db2.gz CIWRPJJIFBLCCV-GRYCIOLGSA-N 0 3 240.347 0.822 20 0 BCADHN CN(C[C@H]1CCOC1)[C@H]1CCCCNC1=O ZINC000247251481 359206114 /nfs/dbraw/zinc/20/61/14/359206114.db2.gz UBHQGUAEDXOFLN-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN Cc1nccnc1N1C[C@H]2CCN(C)[C@H]2C1 ZINC000450779634 202263147 /nfs/dbraw/zinc/26/31/47/202263147.db2.gz NVMDMFGZCIRYEG-MNOVXSKESA-N 0 3 218.304 0.925 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@]2(CCOC2)C1 ZINC000247390130 359218479 /nfs/dbraw/zinc/21/84/79/359218479.db2.gz QILZVPPBCPEVJW-MWLCHTKSSA-N 0 3 212.293 0.363 20 0 BCADHN CCS(=O)(=O)NCCN1CC[C@@H](C)[C@H]1C ZINC000248334290 359263971 /nfs/dbraw/zinc/26/39/71/359263971.db2.gz GBOUAUAQFJWJLE-NXEZZACHSA-N 0 3 234.365 0.656 20 0 BCADHN C[C@H]1CCN(CCNS(C)(=O)=O)[C@H]1C ZINC000248342641 359266900 /nfs/dbraw/zinc/26/69/00/359266900.db2.gz JQPTUDVBBJXVMN-IUCAKERBSA-N 0 3 220.338 0.266 20 0 BCADHN CN1CC[C@H](N2CCC3(C2)CCOCC3)C1=O ZINC000076157384 359275657 /nfs/dbraw/zinc/27/56/57/359275657.db2.gz SWIULMWGKOQAGU-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN CSCCNC(=O)NCC1=CCN(C)CC1 ZINC000611434871 359365466 /nfs/dbraw/zinc/36/54/66/359365466.db2.gz UPQTWEWSMOFTGE-UHFFFAOYSA-N 0 3 243.376 0.911 20 0 BCADHN CO[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CCO1 ZINC000613816178 363649071 /nfs/dbraw/zinc/64/90/71/363649071.db2.gz MDAGFIYSDWWHKU-MNOVXSKESA-N 0 3 244.335 0.404 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CCO1 ZINC000613816180 363649172 /nfs/dbraw/zinc/64/91/72/363649172.db2.gz MDAGFIYSDWWHKU-WDEREUQCSA-N 0 3 244.335 0.404 20 0 BCADHN O=C1CCC[C@@H](CNCc2cn[nH]c2)N1 ZINC000308899930 491139953 /nfs/dbraw/zinc/13/99/53/491139953.db2.gz BNMWPDGZQLBQJF-VIFPVBQESA-N 0 3 208.265 0.168 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CCC[C@@H]1COC ZINC000613856160 363651777 /nfs/dbraw/zinc/65/17/77/363651777.db2.gz ZTRMDVSQIFULCQ-PWSUYJOCSA-N 0 3 245.319 0.411 20 0 BCADHN C[C@@H]1CCN(CCCC(=O)NC(N)=O)C[C@H]1F ZINC000611501933 359385419 /nfs/dbraw/zinc/38/54/19/359385419.db2.gz KQABDEHUNPUITF-RKDXNWHRSA-N 0 3 245.298 0.641 20 0 BCADHN COC[C@](C)(CO)NCc1ccn(C)c1 ZINC000308929926 491140464 /nfs/dbraw/zinc/14/04/64/491140464.db2.gz JFCGWWUIPPAZTL-NSHDSACASA-N 0 3 212.293 0.512 20 0 BCADHN CN(C)CCN(C)C(=O)[C@]12C[C@H]1COC2(C)C ZINC000611823584 359457824 /nfs/dbraw/zinc/45/78/24/359457824.db2.gz UEUXPSJGCSNSII-GWCFXTLKSA-N 0 3 240.347 0.822 20 0 BCADHN COC[C@H](CO)NC[C@@H](O)Cc1ccccc1 ZINC000580431426 359542944 /nfs/dbraw/zinc/54/29/44/359542944.db2.gz LVXVKXMWWVNFJS-STQMWFEESA-N 0 3 239.315 0.187 20 0 BCADHN CNCc1cccc(NC(=O)c2cnnn2C)c1 ZINC000580433997 359544262 /nfs/dbraw/zinc/54/42/62/359544262.db2.gz MMYQZHTVPKKTTP-UHFFFAOYSA-N 0 3 245.286 0.787 20 0 BCADHN COCC[C@@](C)(O)CNCC1(F)CC1 ZINC000379582823 359553967 /nfs/dbraw/zinc/55/39/67/359553967.db2.gz MKFVXEQWEFQPNV-SECBINFHSA-N 0 3 205.273 0.866 20 0 BCADHN CSC1(CNC[C@H](C)S(C)(=O)=O)CC1 ZINC000379665453 359575976 /nfs/dbraw/zinc/57/59/76/359575976.db2.gz WAWAICQALHNMAM-QMMMGPOBSA-N 0 3 237.390 0.905 20 0 BCADHN CCN(CC(F)F)C(=O)[C@H]1C[C@H](F)CN1 ZINC000423794475 192837082 /nfs/dbraw/zinc/83/70/82/192837082.db2.gz DQUHOFKUMLJYRB-NKWVEPMBSA-N 0 3 224.226 0.800 20 0 BCADHN CC[C@H](C)[C@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000423985161 192850958 /nfs/dbraw/zinc/85/09/58/192850958.db2.gz DAVJBSOPELNHOI-GARJFASQSA-N 0 3 228.336 0.773 20 0 BCADHN Cc1nnc(NC(=O)[C@H]2C[C@@H](C)CCN2)n1C ZINC000423882105 192844663 /nfs/dbraw/zinc/84/46/63/192844663.db2.gz SFEURPXRZVUCFK-IONNQARKSA-N 0 3 237.307 0.450 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1OC ZINC000423896336 192844889 /nfs/dbraw/zinc/84/48/89/192844889.db2.gz JKDKIBRNHNFQCF-ZDCRXTMVSA-N 0 3 244.335 0.422 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)[C@H](C)OC ZINC000423920046 192846601 /nfs/dbraw/zinc/84/66/01/192846601.db2.gz FZWLUXRUYMTJBK-XKNYDFJKSA-N 0 3 216.325 0.899 20 0 BCADHN C[C@@H]1C[C@@H](C)N1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000549173458 325498090 /nfs/dbraw/zinc/49/80/90/325498090.db2.gz LZLCZAAZDKZWSC-GMTAPVOTSA-N 0 3 246.376 0.751 20 0 BCADHN CCC1(CNC(=O)COC2CNC2)CCC1 ZINC000430532851 192877028 /nfs/dbraw/zinc/87/70/28/192877028.db2.gz RVXUXXPNHPUCJS-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN CCCCCC(=O)NC[C@@H]1CNCCO1 ZINC000036284917 359660356 /nfs/dbraw/zinc/66/03/56/359660356.db2.gz GEKQSWIXAVCXIK-JTQLQIEISA-N 0 3 214.309 0.671 20 0 BCADHN Cc1nccc(N[C@H](CO)CN(C)C)n1 ZINC000309038171 491143054 /nfs/dbraw/zinc/14/30/54/491143054.db2.gz JKOLNXKEFQFUBQ-VIFPVBQESA-N 0 3 210.281 0.119 20 0 BCADHN Cc1nc(C)c(CNCCN2CC[C@H](O)C2)o1 ZINC000628498666 359711906 /nfs/dbraw/zinc/71/19/06/359711906.db2.gz SSYKXLPDPHNZPV-NSHDSACASA-N 0 3 239.319 0.448 20 0 BCADHN CCC[C@@H](O)CN1CCCNC(=O)[C@H]1C ZINC000450821936 202276364 /nfs/dbraw/zinc/27/63/64/202276364.db2.gz OIGMUMVSXLCTPU-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CCC[C@H](O)CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000450834132 202280457 /nfs/dbraw/zinc/28/04/57/202280457.db2.gz XSLIFOGRKOSTJR-FIQHERPVSA-N 0 3 240.347 0.733 20 0 BCADHN CC(=O)[C@@](C)(O)CN(C)CC1(N(C)C)CCC1 ZINC000450829736 202281744 /nfs/dbraw/zinc/28/17/44/202281744.db2.gz QLFZAUDJACCOSN-LBPRGKRZSA-N 0 3 242.363 0.743 20 0 BCADHN COC(=O)C1(CN2C[C@@H](OC)[C@H](OC)C2)CC1 ZINC000450840158 202283148 /nfs/dbraw/zinc/28/31/48/202283148.db2.gz DUMKXQDBCZTGTI-NXEZZACHSA-N 0 3 243.303 0.285 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000612216438 359739103 /nfs/dbraw/zinc/73/91/03/359739103.db2.gz WFFGZACNRSEEJG-RKDXNWHRSA-N 0 3 222.292 0.480 20 0 BCADHN CC(=O)[C@@](C)(O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000450860731 202291696 /nfs/dbraw/zinc/29/16/96/202291696.db2.gz XQYKVWFOVFMCGY-FZMZJTMJSA-N 0 3 249.310 0.789 20 0 BCADHN C[C@@H]1CCCN(CCCS(=O)(=O)N(C)C)C1 ZINC000057847700 359775930 /nfs/dbraw/zinc/77/59/30/359775930.db2.gz DWWVXQABMRHIIO-LLVKDONJSA-N 0 3 248.392 1.000 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H](O)C1CC1 ZINC000612305603 359778459 /nfs/dbraw/zinc/77/84/59/359778459.db2.gz ZRYNWNBJHWVECH-GGZOMVNGSA-N 0 3 238.331 0.356 20 0 BCADHN COCCN(CC[C@H](C)O)[C@@H]1CCOC1 ZINC000450876905 202295071 /nfs/dbraw/zinc/29/50/71/202295071.db2.gz PTQDJCCVENEOCZ-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN CC(C)CCCN[C@@]1(C(N)=O)CCOC1 ZINC000578374912 366544934 /nfs/dbraw/zinc/54/49/34/366544934.db2.gz WBZVMJXPQVTHBQ-NSHDSACASA-N 0 3 214.309 0.657 20 0 BCADHN CN1CCC[C@H](CNC(=O)CCC(C)(C)O)C1 ZINC000578393398 366552362 /nfs/dbraw/zinc/55/23/62/366552362.db2.gz XXHMDAUTZFSCHF-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN O[C@@H](CNC[C@H](O)C(F)F)Cc1ccccc1 ZINC000578358656 366538152 /nfs/dbraw/zinc/53/81/52/366538152.db2.gz HBCARUFCQJPPJT-MNOVXSKESA-N 0 3 245.269 0.806 20 0 BCADHN CC(C(=O)N[C@@H]1CCC[C@@H]1F)S(C)(=O)=O ZINC000578359291 366538712 /nfs/dbraw/zinc/53/87/12/366538712.db2.gz WNSMWFARRHXQBC-BIIVOSGPSA-N 0 3 237.296 0.426 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)[C@H](O)C1CCC1 ZINC000450961358 202320517 /nfs/dbraw/zinc/32/05/17/202320517.db2.gz PJLGGLYDQDGPHJ-GFCCVEGCSA-N 0 3 240.347 0.700 20 0 BCADHN CCOC1CC(N(C)C[C@@H]2COCCO2)C1 ZINC000451031709 202333519 /nfs/dbraw/zinc/33/35/19/202333519.db2.gz RIFIILZTBCTCKL-HTAVTVPLSA-N 0 3 229.320 0.901 20 0 BCADHN COCC(C)(C)N(C)C[C@@H]1COCCO1 ZINC000451050948 202338332 /nfs/dbraw/zinc/33/83/32/202338332.db2.gz ANFDBQORLUNKRU-SNVBAGLBSA-N 0 3 217.309 0.759 20 0 BCADHN CSC[C@@H](O)CNCc1ccnn1C ZINC000578435629 366566474 /nfs/dbraw/zinc/56/64/74/366566474.db2.gz KGKVGXZFIQUBDP-VIFPVBQESA-N 0 3 215.322 0.234 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cn2ccsc2n1 ZINC000578440446 366568263 /nfs/dbraw/zinc/56/82/63/366568263.db2.gz ZDEMETGTYDKRRV-MRVPVSSYSA-N 0 3 238.316 0.749 20 0 BCADHN CCC(=O)CCCN(C)[C@@H]1COC[C@H]1O ZINC000450980476 202324676 /nfs/dbraw/zinc/32/46/76/202324676.db2.gz FCVUNPYRMLOECZ-GHMZBOCLSA-N 0 3 215.293 0.437 20 0 BCADHN CC(C)[C@H]([NH3+])C(=O)NCc1ncccc1[O-] ZINC000578504901 366581196 /nfs/dbraw/zinc/58/11/96/366581196.db2.gz YRYWYRLDRVAOFJ-JTQLQIEISA-N 0 3 223.276 0.387 20 0 BCADHN O=C(COC1CNC1)N(C1CC1)C1CCCC1 ZINC000578507953 366582516 /nfs/dbraw/zinc/58/25/16/366582516.db2.gz CBLQTGFAXQEPOQ-UHFFFAOYSA-N 0 3 238.331 0.908 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCCOC[C@@H]1C ZINC000613860132 363667739 /nfs/dbraw/zinc/66/77/39/363667739.db2.gz SGVYXWBLLJYZEZ-CMPLNLGQSA-N 0 3 245.319 0.411 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)c1ncnn1C)N(C)C ZINC000613895213 363668919 /nfs/dbraw/zinc/66/89/19/363668919.db2.gz KUCAEQIQFFUGBM-IUCAKERBSA-N 0 3 239.323 0.333 20 0 BCADHN CCC[C@@H](O)CN(CCC)CC(N)=O ZINC000451066543 202342140 /nfs/dbraw/zinc/34/21/40/202342140.db2.gz NBSGCWICJAOCAD-SECBINFHSA-N 0 3 202.298 0.345 20 0 BCADHN COC[C@@H](C(N)=O)N(C)CC12CCC(CC1)C2 ZINC000451067442 202343310 /nfs/dbraw/zinc/34/33/10/202343310.db2.gz FPOZLBHTIVANOR-AKJDGMEZSA-N 0 3 240.347 0.999 20 0 BCADHN CCOCCN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451148144 202366127 /nfs/dbraw/zinc/36/61/27/202366127.db2.gz OYEARNJFAXBQMW-NEPJUHHUSA-N 0 3 228.336 0.428 20 0 BCADHN C[C@H](N[C@@H]1C[C@@H](C)O[C@H]1C)C(=O)N(C)C ZINC000451163702 202367741 /nfs/dbraw/zinc/36/77/41/202367741.db2.gz RYXYXUDACQNHEL-XFWSIPNHSA-N 0 3 214.309 0.619 20 0 BCADHN CC(C)N(CCCC(=O)NC(N)=O)C1COC1 ZINC000451119693 202358774 /nfs/dbraw/zinc/35/87/74/202358774.db2.gz GKOCDHJOKVZMPO-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/65/55/90/366655590.db2.gz CXONVDVNRHTXGM-UHFFFAOYSA-N 0 3 213.325 0.150 20 0 BCADHN CCOC(=O)[C@H](NC(=O)[C@H](C)NC)[C@@H](C)CC ZINC000578881967 366665849 /nfs/dbraw/zinc/66/58/49/366665849.db2.gz HYCDJEIFPSTICL-LPEHRKFASA-N 0 3 244.335 0.688 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@@H]3C2)C1 ZINC000628517267 359962331 /nfs/dbraw/zinc/96/23/31/359962331.db2.gz MKPPFXSFZUAZFT-MXWKQRLJSA-N 0 3 208.305 0.807 20 0 BCADHN CO[C@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC000578882686 366667938 /nfs/dbraw/zinc/66/79/38/366667938.db2.gz MKKAWALGYNQRJQ-GHMZBOCLSA-N 0 3 228.336 0.822 20 0 BCADHN CO[C@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC000578882689 366667990 /nfs/dbraw/zinc/66/79/90/366667990.db2.gz MKKAWALGYNQRJQ-WDEREUQCSA-N 0 3 228.336 0.822 20 0 BCADHN CC[C@H](C)CN1CCCN(S(N)(=O)=O)CC1 ZINC000088512114 359964860 /nfs/dbraw/zinc/96/48/60/359964860.db2.gz AHGYGWYHTBHYAR-JTQLQIEISA-N 0 3 249.380 0.244 20 0 BCADHN COCCOCCNC1(C(N)=O)CCCCC1 ZINC000088545359 359966033 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ZINC000309487552 491149602 /nfs/dbraw/zinc/14/96/02/491149602.db2.gz VYUGMVVQNRVFSJ-LDYMZIIASA-N 0 3 227.308 0.766 20 0 BCADHN CNCC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000430883049 192894099 /nfs/dbraw/zinc/89/40/99/192894099.db2.gz ORUQLERSTRVIMS-MRVPVSSYSA-N 0 3 241.316 0.262 20 0 BCADHN COc1cc(NC(=O)C2CCN(C)CC2)[nH]n1 ZINC000628626048 360578453 /nfs/dbraw/zinc/57/84/53/360578453.db2.gz BBCUDWDHVXUELH-UHFFFAOYSA-N 0 3 238.291 0.699 20 0 BCADHN C[C@H]1COCC[C@@H]1C(=O)NC[C@H]1CCCN1C ZINC000628647934 360593132 /nfs/dbraw/zinc/59/31/32/360593132.db2.gz DDIPYAHOKJHMPT-TUAOUCFPSA-N 0 3 240.347 0.869 20 0 BCADHN CCO[C@H]1C[C@@H]1C(=O)NC[C@H]1CCCN1C ZINC000628647853 360593164 /nfs/dbraw/zinc/59/31/64/360593164.db2.gz RVMBVQAZAPCTSZ-VWYCJHECSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1cnn(C)c1C(=O)NC[C@H]1CCCN1C ZINC000628648626 360596010 /nfs/dbraw/zinc/59/60/10/360596010.db2.gz GYNOKVQSRWVSSN-SNVBAGLBSA-N 0 3 236.319 0.553 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)CC2(C)COC2)C1 ZINC000628675000 360605559 /nfs/dbraw/zinc/60/55/59/360605559.db2.gz VZRFJZKJMDEFDE-NSHDSACASA-N 0 3 240.347 0.823 20 0 BCADHN Cc1ncc(CC(=O)N[C@@H](C)CN(C)C)o1 ZINC000640317298 360606877 /nfs/dbraw/zinc/60/68/77/360606877.db2.gz DVMTUISJSFYYFY-QMMMGPOBSA-N 0 3 225.292 0.592 20 0 BCADHN NC(=O)c1cccc(CNCCn2cccn2)c1 ZINC000042540985 181302964 /nfs/dbraw/zinc/30/29/64/181302964.db2.gz FJPQHIPOHGPAJS-UHFFFAOYSA-N 0 3 244.298 0.772 20 0 BCADHN NC(=O)c1cccc(CNC[C@H](CO)C2CC2)c1 ZINC000353071429 181303463 /nfs/dbraw/zinc/30/34/63/181303463.db2.gz JORVYOFIMNAOQM-CYBMUJFWSA-N 0 3 248.326 0.894 20 0 BCADHN Cc1cc(N[C@@H](CO)CN(C)C)nc(C)n1 ZINC000309493690 491150199 /nfs/dbraw/zinc/15/01/99/491150199.db2.gz XUGYKULSQDOPIJ-SNVBAGLBSA-N 0 3 224.308 0.428 20 0 BCADHN CCOC1CC(NC[C@@H](C)S(C)(=O)=O)C1 ZINC000380360446 360633049 /nfs/dbraw/zinc/63/30/49/360633049.db2.gz YGUJBLKCFRWKHE-XNWIYYODSA-N 0 3 235.349 0.577 20 0 BCADHN CC1(CC(=O)N[C@@H](CO)CN2CCCC2)CC1 ZINC000640321874 360633974 /nfs/dbraw/zinc/63/39/74/360633974.db2.gz 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CBLGUFMZOOOKPR-NEPJUHHUSA-N 0 3 228.336 0.164 20 0 BCADHN O=S(=O)(CCC1CCCCC1)NC1CNC1 ZINC000575867221 365394779 /nfs/dbraw/zinc/39/47/79/365394779.db2.gz FRRJAMVRSUXHQO-UHFFFAOYSA-N 0 3 246.376 0.848 20 0 BCADHN CCCn1nccc1NC(=O)CNC1CC1 ZINC000575980628 365434768 /nfs/dbraw/zinc/43/47/68/365434768.db2.gz CVMXMXQSJKLFGJ-UHFFFAOYSA-N 0 3 222.292 0.984 20 0 BCADHN NC(=O)NC(=O)CN1CCC[C@@H]2CCC[C@H]21 ZINC000173810071 365448142 /nfs/dbraw/zinc/44/81/42/365448142.db2.gz USMWRQJAKGIUDQ-DTWKUNHWSA-N 0 3 225.292 0.446 20 0 BCADHN CC(C)O[C@@H]1CCN([C@H]2COC[C@H]2O)C1 ZINC000576035656 365457433 /nfs/dbraw/zinc/45/74/33/365457433.db2.gz UAYJZUOGYBDTRL-OUAUKWLOSA-N 0 3 215.293 0.245 20 0 BCADHN CO[C@H](CNC[C@@H](C)S(C)(=O)=O)C1CC1 ZINC000579583598 366889670 /nfs/dbraw/zinc/88/96/70/366889670.db2.gz AJPKUZMTICLZQJ-PSASIEDQSA-N 0 3 235.349 0.434 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000579589462 366894226 /nfs/dbraw/zinc/89/42/26/366894226.db2.gz FNEZOMSZVZFGHK-ZRUFSTJUSA-N 0 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20 0 BCADHN CN(C)c1cccc(CNC(=O)CNC2CC2)n1 ZINC000182769687 366939589 /nfs/dbraw/zinc/93/95/89/366939589.db2.gz OIOXZZVGVNASKG-UHFFFAOYSA-N 0 3 248.330 0.516 20 0 BCADHN CC(C)N1CCN(C(=O)CC(F)(F)CN)CC1 ZINC000564734773 325805985 /nfs/dbraw/zinc/80/59/85/325805985.db2.gz ODHVVELOXLCPFF-UHFFFAOYSA-N 0 3 249.305 0.523 20 0 BCADHN CC[C@@H](N)C(=O)NCC1(CCOC)CC1 ZINC000152894931 325812503 /nfs/dbraw/zinc/81/25/03/325812503.db2.gz CAYJXCNUXLQJDU-SECBINFHSA-N 0 3 214.309 0.657 20 0 BCADHN CCC[C@H](CNC[C@@H](C)S(C)(=O)=O)OC ZINC000564860864 325819038 /nfs/dbraw/zinc/81/90/38/325819038.db2.gz UBOKOHRZSREFQZ-NXEZZACHSA-N 0 3 237.365 0.824 20 0 BCADHN CCO[C@@H](CC)C(=O)NCCOCCN(C)C ZINC000579684708 366977182 /nfs/dbraw/zinc/97/71/82/366977182.db2.gz BERMGHDNCGKPEA-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CCN(Cc1cnn(C)c1)C(=O)C1(N)CCC1 ZINC000579714017 366989083 /nfs/dbraw/zinc/98/90/83/366989083.db2.gz NZYWPRFRLWBGBS-UHFFFAOYSA-N 0 3 236.319 0.650 20 0 BCADHN CCCCNC(=O)CN1CCNC[C@H]1C(F)F ZINC000564987173 325840843 /nfs/dbraw/zinc/84/08/43/325840843.db2.gz QXVBBRUBJSUIMZ-VIFPVBQESA-N 0 3 249.305 0.442 20 0 BCADHN CC[C@@H](F)CN[C@H](CC(N)=O)C1CCOCC1 ZINC000440510257 201486387 /nfs/dbraw/zinc/48/63/87/201486387.db2.gz XTYDQRBOHIHTRZ-GHMZBOCLSA-N 0 3 246.326 0.995 20 0 BCADHN C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000579830225 367036937 /nfs/dbraw/zinc/03/69/37/367036937.db2.gz QVQDTXVLLJYQPB-RKDXNWHRSA-N 0 3 235.287 0.401 20 0 BCADHN COc1ccnc(NC(=O)C(C)(C)N)c1 ZINC000579830019 367037003 /nfs/dbraw/zinc/03/70/03/367037003.db2.gz DLHQGKCSKDAQKT-UHFFFAOYSA-N 0 3 209.249 0.766 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](O)C[C@H]2C)C1 ZINC000579855570 367054918 /nfs/dbraw/zinc/05/49/18/367054918.db2.gz CSYKIRLRJXRURJ-MXWKQRLJSA-N 0 3 226.320 0.310 20 0 BCADHN CCc1nc(CN2CCN(C(C)C)CC2)n[nH]1 ZINC000185163909 367123419 /nfs/dbraw/zinc/12/34/19/367123419.db2.gz DOHXFYOLAKPKBD-UHFFFAOYSA-N 0 3 237.351 0.893 20 0 BCADHN COCCN1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000580030189 367142579 /nfs/dbraw/zinc/14/25/79/367142579.db2.gz INMAVHIWPNFIDT-NSHDSACASA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H]1NCCN(C(=O)CCc2ccncn2)[C@@H]1C ZINC000579954164 367100916 /nfs/dbraw/zinc/10/09/16/367100916.db2.gz HIVAOWFIKFPBHQ-GHMZBOCLSA-N 0 3 248.330 0.618 20 0 BCADHN CCC[C@@H](C)[C@@H](CO)NCC(=O)NC1CC1 ZINC000579957494 367102498 /nfs/dbraw/zinc/10/24/98/367102498.db2.gz CJVUYNLCSSVTHV-MWLCHTKSSA-N 0 3 228.336 0.652 20 0 BCADHN CC[C@H](O)CC(=O)NC1CCN(C)CC1 ZINC000622285164 370822111 /nfs/dbraw/zinc/82/21/11/370822111.db2.gz DPPHZDGNPPHUJM-JTQLQIEISA-N 0 3 214.309 0.358 20 0 BCADHN CC[C@@H](O)CC(=O)NC1CCN(CC)CC1 ZINC000622285570 370823150 /nfs/dbraw/zinc/82/31/50/370823150.db2.gz VRLBGMNVPKQXBN-LLVKDONJSA-N 0 3 228.336 0.748 20 0 BCADHN CN1CCC(NC(=O)[C@@H]2CC2(F)F)CC1 ZINC000622285521 370823290 /nfs/dbraw/zinc/82/32/90/370823290.db2.gz SVGDCHIVDSQDAU-QMMMGPOBSA-N 0 3 218.247 0.852 20 0 BCADHN C[C@@H](CNC[C@H]1CCCC[C@@H]1O)S(C)(=O)=O ZINC000580952874 367211397 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FPVQWWGLPHUDCY-VHSXEESVSA-N 0 3 214.309 0.620 20 0 BCADHN CCCCC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000581062574 367249426 /nfs/dbraw/zinc/24/94/26/367249426.db2.gz JILAWMOSNACJRT-JTQLQIEISA-N 0 3 243.351 0.359 20 0 BCADHN Cc1nnc(NC(=O)[C@@H]2CCCCN2)n1C ZINC000581071649 367252181 /nfs/dbraw/zinc/25/21/81/367252181.db2.gz LTEKGOTVEUNNNG-QMMMGPOBSA-N 0 3 223.280 0.204 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](O)C3(CC3)C2)C1 ZINC000581081300 367258368 /nfs/dbraw/zinc/25/83/68/367258368.db2.gz HTSZZSQTSNYTKP-GHMZBOCLSA-N 0 3 238.331 0.312 20 0 BCADHN C[C@@H]1CCN(C(=O)C[C@H]2CNCCO2)[C@@H]1C ZINC000380617011 367260067 /nfs/dbraw/zinc/26/00/67/367260067.db2.gz MICBFXNDNMEUTP-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN COCC1(NCc2cncn2C)CCOCC1 ZINC000581326217 367350869 /nfs/dbraw/zinc/35/08/69/367350869.db2.gz FZHCIBKXPLFRMA-UHFFFAOYSA-N 0 3 239.319 0.705 20 0 BCADHN [O-]c1cccnc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000581218253 367297434 /nfs/dbraw/zinc/29/74/34/367297434.db2.gz QFGVWWXPWQGKJO-NSHDSACASA-N 0 3 220.272 0.744 20 0 BCADHN [O-]c1cccnc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000581218253 367297438 /nfs/dbraw/zinc/29/74/38/367297438.db2.gz QFGVWWXPWQGKJO-NSHDSACASA-N 0 3 220.272 0.744 20 0 BCADHN C[C@@H](CN[C@@H]1CCN(C)[C@H](C)C1)S(C)(=O)=O ZINC000381531718 367426076 /nfs/dbraw/zinc/42/60/76/367426076.db2.gz ZJTWUDYUPLZZHN-OUAUKWLOSA-N 0 3 248.392 0.492 20 0 BCADHN CN(C)[C@H](CNCCC(N)=O)c1ccsc1 ZINC000381451306 367407778 /nfs/dbraw/zinc/40/77/78/367407778.db2.gz HJBJAAJJHCHCOP-SNVBAGLBSA-N 0 3 241.360 0.816 20 0 BCADHN O[C@@H]1CN(C[C@@H]2CCCCC2(F)F)C[C@H]1O ZINC000381490124 367417894 /nfs/dbraw/zinc/41/78/94/367417894.db2.gz HEGAQAZVSUJZGG-IVZWLZJFSA-N 0 3 235.274 0.849 20 0 BCADHN Cn1nccc1C(=O)NC[C@@H]1CCCN1C ZINC000195449135 367361337 /nfs/dbraw/zinc/36/13/37/367361337.db2.gz YWYIZPADUFTUBV-VIFPVBQESA-N 0 3 222.292 0.244 20 0 BCADHN N[C@H](CC(=O)Nc1nc[nH]n1)Cc1ccccc1 ZINC000581426667 367466460 /nfs/dbraw/zinc/46/64/60/367466460.db2.gz CGERFJYJPCKYDD-JTQLQIEISA-N 0 3 245.286 0.703 20 0 BCADHN CC(=O)[C@](C)(O)CN[C@H]1C[C@H](O)C1(C)C ZINC000581437876 367471636 /nfs/dbraw/zinc/47/16/36/367471636.db2.gz ZTCWFMQXSYWZPW-ATZCPNFKSA-N 0 3 215.293 0.075 20 0 BCADHN FC(F)[C@H]1CNCCN1C[C@@H]1CCOC1 ZINC000381632153 367442104 /nfs/dbraw/zinc/44/21/04/367442104.db2.gz RKLKJEAVXLZPNK-DTWKUNHWSA-N 0 3 220.263 0.562 20 0 BCADHN CC[C@H](O)CC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000622347872 370862120 /nfs/dbraw/zinc/86/21/20/370862120.db2.gz YUJRDJQILOGQCM-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)[C@H](C)[NH3+] ZINC000381779693 367456190 /nfs/dbraw/zinc/45/61/90/367456190.db2.gz QXRDUKCOKUAHCK-WDSKDSINSA-N 0 3 247.320 0.305 20 0 BCADHN COC[C@@]1(C)CCN([C@H](C)C(N)=O)C1 ZINC000381858004 367464041 /nfs/dbraw/zinc/46/40/41/367464041.db2.gz ZVCNOXLJVKAOMF-SCZZXKLOSA-N 0 3 200.282 0.219 20 0 BCADHN COC[C@@](C)(O)CN[C@H](C)c1cn(C)nc1C ZINC000382566421 367541566 /nfs/dbraw/zinc/54/15/66/367541566.db2.gz OJCVRQNHKDZCNH-SKDRFNHKSA-N 0 3 241.335 0.777 20 0 BCADHN CCn1cccc1CNC[C@](C)(O)COC ZINC000382573914 367542070 /nfs/dbraw/zinc/54/20/70/367542070.db2.gz SGUVPDUGJJFGGL-LBPRGKRZSA-N 0 3 226.320 0.995 20 0 BCADHN CCOCCN1CCC[C@H](N2CCOCC2)C1 ZINC000581526738 367547893 /nfs/dbraw/zinc/54/78/93/367547893.db2.gz KYMRMEHGGGBGPD-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN CCOCCN1CCC[C@@H](N2CCOCC2)C1 ZINC000581526737 367548482 /nfs/dbraw/zinc/54/84/82/367548482.db2.gz KYMRMEHGGGBGPD-CYBMUJFWSA-N 0 3 242.363 0.820 20 0 BCADHN C[C@H](O)CN1CCC[C@H](N2CCOCC2)C1 ZINC000382714928 367552873 /nfs/dbraw/zinc/55/28/73/367552873.db2.gz GCLSNAPQRZMRJO-RYUDHWBXSA-N 0 3 228.336 0.164 20 0 BCADHN CC[C@H](O)CN1CCC[C@H](N2CCOCC2)C1 ZINC000382729641 367554407 /nfs/dbraw/zinc/55/44/07/367554407.db2.gz JZNLEWUVDHUYJW-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN CC(C)NC(=O)CN(C)C(=O)[C@@H](C)NC1CC1 ZINC000382914244 367567316 /nfs/dbraw/zinc/56/73/16/367567316.db2.gz AOFJZMKKOVIWHL-SECBINFHSA-N 0 3 241.335 0.110 20 0 BCADHN COC[C@](C)(O)CNCc1scnc1C ZINC000382360860 367511229 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/nfs/dbraw/zinc/16/14/91/370161491.db2.gz PQDHUEMPBDLCFL-OUAUKWLOSA-N 0 3 245.319 0.003 20 0 BCADHN CNS(=O)(=O)CCN1CC[C@@H](C(C)(C)C)C1 ZINC000621277541 370209274 /nfs/dbraw/zinc/20/92/74/370209274.db2.gz NDBVABWFHWCQCW-SNVBAGLBSA-N 0 3 248.392 0.904 20 0 BCADHN CCN(CCC1CC1)CCS(=O)(=O)NC ZINC000621279372 370210576 /nfs/dbraw/zinc/21/05/76/370210576.db2.gz RANHGDFKJVHXOV-UHFFFAOYSA-N 0 3 234.365 0.658 20 0 BCADHN CNS(=O)(=O)CCN1CC[C@@H]2CCC[C@H]21 ZINC000621282249 370213323 /nfs/dbraw/zinc/21/33/23/370213323.db2.gz YTXVCYWPDLLCCP-VHSXEESVSA-N 0 3 232.349 0.410 20 0 BCADHN CCCCN(CCO)CCn1ccccc1=O ZINC000112091117 370217339 /nfs/dbraw/zinc/21/73/39/370217339.db2.gz IRQVUMWMUPCHCG-UHFFFAOYSA-N 0 3 238.331 0.943 20 0 BCADHN O=c1ccccn1CCN1CCCC[C@@H]1CO ZINC000112091101 370218124 /nfs/dbraw/zinc/21/81/24/370218124.db2.gz LBNSGSDSGYSHEY-GFCCVEGCSA-N 0 3 236.315 0.695 20 0 BCADHN CCn1cc(CN[C@H](C)Cn2cncn2)cn1 ZINC000112097716 370218509 /nfs/dbraw/zinc/21/85/09/370218509.db2.gz DKFRQXLJSBHEHN-SNVBAGLBSA-N 0 3 234.307 0.673 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccc2c1CCN2 ZINC000309554415 370227485 /nfs/dbraw/zinc/22/74/85/370227485.db2.gz LUXXBRJVRJKUBO-SSDOTTSWSA-N 0 3 205.261 0.940 20 0 BCADHN CNS(=O)(=O)CCN1[C@H](C)CCC1(C)C ZINC000621300201 370229409 /nfs/dbraw/zinc/22/94/09/370229409.db2.gz AXSNAOAECLOWQJ-SECBINFHSA-N 0 3 234.365 0.799 20 0 BCADHN COCCCCN1CCNC[C@@H]1C(F)F ZINC000309573335 370231862 /nfs/dbraw/zinc/23/18/62/370231862.db2.gz NROPXYUZFTUZHF-SECBINFHSA-N 0 3 222.279 0.952 20 0 BCADHN CNS(=O)(=O)CCN1CC[C@H](C2CCC2)C1 ZINC000621302483 370233186 /nfs/dbraw/zinc/23/31/86/370233186.db2.gz FGQUBWQKDZKBBY-NSHDSACASA-N 0 3 246.376 0.658 20 0 BCADHN CNS(=O)(=O)CCN1[C@H](C)CCC[C@@H]1C ZINC000621257254 370189942 /nfs/dbraw/zinc/18/99/42/370189942.db2.gz NRQJUWWWXHJJJZ-AOOOYVTPSA-N 0 3 234.365 0.799 20 0 BCADHN CNS(=O)(=O)CCN1CC[C@H](C)[C@H]1C ZINC000621261265 370193484 /nfs/dbraw/zinc/19/34/84/370193484.db2.gz KCPXZRPLVYYHNN-DTWKUNHWSA-N 0 3 220.338 0.266 20 0 BCADHN CNS(=O)(=O)CCN1CC[C@H](CC(C)C)C1 ZINC000621260694 370193694 /nfs/dbraw/zinc/19/36/94/370193694.db2.gz MPJWCRNDTDXVRL-LLVKDONJSA-N 0 3 248.392 0.904 20 0 BCADHN Cc1nccc(C(=O)NC[C@H](C)N2CCCC2)n1 ZINC000063732621 370193776 /nfs/dbraw/zinc/19/37/76/370193776.db2.gz ZNVWFDKGNTXOPY-JTQLQIEISA-N 0 3 248.330 0.999 20 0 BCADHN CNS(=O)(=O)CCN(CC1CC1)C(C)C ZINC000621264021 370197597 /nfs/dbraw/zinc/19/75/97/370197597.db2.gz OXEGDJNBSJCNCK-UHFFFAOYSA-N 0 3 234.365 0.656 20 0 BCADHN CC[C@H]1CC[C@@H](C)N1CCS(=O)(=O)NC ZINC000621272075 370203834 /nfs/dbraw/zinc/20/38/34/370203834.db2.gz BTMGHNRRBCSLND-ZJUUUORDSA-N 0 3 234.365 0.799 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CC[C@@H](C)[C@H](CO)C1 ZINC000621363502 370297770 /nfs/dbraw/zinc/29/77/70/370297770.db2.gz QLKZHDMQBWZMST-VWYCJHECSA-N 0 3 240.347 0.604 20 0 BCADHN COCC(C)(C)NCC(=O)NCc1ccco1 ZINC000076496645 370299022 /nfs/dbraw/zinc/29/90/22/370299022.db2.gz AEKMTZYPLGCJCU-UHFFFAOYSA-N 0 3 240.303 0.910 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](C)[C@@H](CO)C1 ZINC000621365280 370299966 /nfs/dbraw/zinc/29/99/66/370299966.db2.gz TVBQPMSLZWDFOT-WDEREUQCSA-N 0 3 228.336 0.415 20 0 BCADHN C[C@@H]1CCN(CCn2cncn2)C[C@H]1CO ZINC000621366956 370302117 /nfs/dbraw/zinc/30/21/17/370302117.db2.gz SVTMTDYDWYQLKG-MNOVXSKESA-N 0 3 224.308 0.228 20 0 BCADHN C[C@H]1CCN(Cc2cncn2C)C[C@H]1CO ZINC000621367124 370303109 /nfs/dbraw/zinc/30/31/09/370303109.db2.gz VXIJFSJYMSQXOO-QWRGUYRKSA-N 0 3 223.320 0.870 20 0 BCADHN C[C@@H]1CCN([C@@H]2CCCN(C)C2=O)C[C@H]1CO ZINC000621372029 370309060 /nfs/dbraw/zinc/30/90/60/370309060.db2.gz NSWSTWAVDHBZMN-GRYCIOLGSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@@H]1CCN([C@H]2CCCN(C)C2=O)C[C@@H]1CO ZINC000621372031 370309186 /nfs/dbraw/zinc/30/91/86/370309186.db2.gz NSWSTWAVDHBZMN-UTUOFQBUSA-N 0 3 240.347 0.558 20 0 BCADHN CCOCCC(=O)N[C@H]1CCCN(C)C1 ZINC000076965138 370370773 /nfs/dbraw/zinc/37/07/73/370370773.db2.gz AOCBJMNVZWHZKJ-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2cn(C)nc2C)C1 ZINC000621387608 370330903 /nfs/dbraw/zinc/33/09/03/370330903.db2.gz BJARUHAXPLKAEE-GFCCVEGCSA-N 0 3 236.319 0.439 20 0 BCADHN O=C(C[C@H]1CNCCO1)NCC[C@H]1CC1(F)F ZINC000621671408 370423427 /nfs/dbraw/zinc/42/34/27/370423427.db2.gz RIEPKBGOYGFGKQ-IUCAKERBSA-N 0 3 248.273 0.526 20 0 BCADHN NC1(C(=O)NCC[C@@H]2CC2(F)F)CC1 ZINC000621674411 370426781 /nfs/dbraw/zinc/42/67/81/370426781.db2.gz SERRRAMWJJOKDT-ZCFIWIBFSA-N 0 3 204.220 0.639 20 0 BCADHN CCC(=O)Nc1cccc(CNC(=O)CN)c1 ZINC000568270914 326338371 /nfs/dbraw/zinc/33/83/71/326338371.db2.gz HBPVZXBVDVXZBW-UHFFFAOYSA-N 0 3 235.287 0.610 20 0 BCADHN O=C(CC[C@H]1CCC[NH2+]C1)Nc1ccncc1[O-] ZINC000621652749 370413030 /nfs/dbraw/zinc/41/30/30/370413030.db2.gz DVRYPRYWAVHKOY-SNVBAGLBSA-N 0 3 249.314 0.927 20 0 BCADHN CCNC(=O)CCN1CC[C@](O)(C(F)F)C1 ZINC000568289864 326341494 /nfs/dbraw/zinc/34/14/94/326341494.db2.gz RWRXUXDJIHFIJV-SNVBAGLBSA-N 0 3 236.262 0.215 20 0 BCADHN CC[C@H]1CN(Cc2nccnc2C)C[C@@H]1O ZINC000621720257 370471030 /nfs/dbraw/zinc/47/10/30/370471030.db2.gz QVEKUVZYGCJPSR-JQWIXIFHSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1nccnc1CN1CC[C@@H]([C@@H](C)O)C1 ZINC000621722126 370473669 /nfs/dbraw/zinc/47/36/69/370473669.db2.gz MBFXQRMDDCBICR-GHMZBOCLSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1nccnc1CN1CC[C@H]([C@H](C)O)C1 ZINC000621722128 370474061 /nfs/dbraw/zinc/47/40/61/370474061.db2.gz MBFXQRMDDCBICR-QWRGUYRKSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1ncc(CN2CC[C@@H](CC(N)=O)C2)n1C ZINC000621728338 370480263 /nfs/dbraw/zinc/48/02/63/370480263.db2.gz MBRDZHUSYYCFQO-JTQLQIEISA-N 0 3 236.319 0.426 20 0 BCADHN Cc1nccnc1CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000621728933 370482321 /nfs/dbraw/zinc/48/23/21/370482321.db2.gz CXLRUPHUTURHPP-DGCLKSJQSA-N 0 3 232.331 0.921 20 0 BCADHN Cc1nccnc1CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000621728932 370482399 /nfs/dbraw/zinc/48/23/99/370482399.db2.gz CXLRUPHUTURHPP-AAEUAGOBSA-N 0 3 232.331 0.921 20 0 BCADHN Cc1nccnc1CN1CC[C@@H](C(=O)N(C)C)C1 ZINC000621731116 370484403 /nfs/dbraw/zinc/48/44/03/370484403.db2.gz AUSFWTXEWLUPKA-LLVKDONJSA-N 0 3 248.330 0.695 20 0 BCADHN CCOC(=O)C[C@@H](O)CN[C@@H]1COCC1(C)C ZINC000312993853 370560012 /nfs/dbraw/zinc/56/00/12/370560012.db2.gz PGPLEKZWGCTTBD-NXEZZACHSA-N 0 3 245.319 0.315 20 0 BCADHN O=C(c1c[nH]cn1)N1CC[C@@H](N2CCCC2)C1 ZINC000066143600 370552430 /nfs/dbraw/zinc/55/24/30/370552430.db2.gz JBIPMZBQDYDFTD-SNVBAGLBSA-N 0 3 234.303 0.720 20 0 BCADHN CCN(CC(=O)NC(=O)NC1CC1)CC1CC1 ZINC000070013690 371003369 /nfs/dbraw/zinc/00/33/69/371003369.db2.gz IWMKFSSPKJVJCV-UHFFFAOYSA-N 0 3 239.319 0.707 20 0 BCADHN CCn1nnc(C)c1C(=O)N[C@@H](C)CN(C)C ZINC000622599931 371011324 /nfs/dbraw/zinc/01/13/24/371011324.db2.gz GGWYSEZUKSDZBZ-QMMMGPOBSA-N 0 3 239.323 0.286 20 0 BCADHN C[C@@H](CN1CCCC1=O)NCc1ccc(=O)[nH]c1 ZINC000631046849 371059628 /nfs/dbraw/zinc/05/96/28/371059628.db2.gz OPFILFGWWDXQIH-JTQLQIEISA-N 0 3 249.314 0.888 20 0 BCADHN CC(C)N(C)CC(=O)NCCc1cn(C)cn1 ZINC000622685625 371062320 /nfs/dbraw/zinc/06/23/20/371062320.db2.gz BMYATSINOREAFR-UHFFFAOYSA-N 0 3 238.335 0.419 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)NCCN(C)C2CC2)C1 ZINC000623718599 371066437 /nfs/dbraw/zinc/06/64/37/371066437.db2.gz RXLJVKDRTNPOKU-HOMQSWHASA-N 0 3 241.335 0.557 20 0 BCADHN Cc1nn(C)c(C)c1CNC[C@H]1C[C@@H](O)C1 ZINC000623751161 371080766 /nfs/dbraw/zinc/08/07/66/371080766.db2.gz KXCDAAQVFIHLLR-PHIMTYICSA-N 0 3 223.320 0.897 20 0 BCADHN c1nn2c(c1CNCC1COC1)CCC2 ZINC000623761640 371084508 /nfs/dbraw/zinc/08/45/08/371084508.db2.gz HKZSUGNSZJUBCK-UHFFFAOYSA-N 0 3 207.277 0.565 20 0 BCADHN CCn1nnc(C)c1CNC[C@@H]1CCCN1C ZINC000623786287 371092017 /nfs/dbraw/zinc/09/20/17/371092017.db2.gz DHCQXZXEYHAFFR-NSHDSACASA-N 0 3 237.351 0.790 20 0 BCADHN CCN(c1nc(N)nc(N)n1)C1CCCCC1 ZINC000623790867 371095191 /nfs/dbraw/zinc/09/51/91/371095191.db2.gz SMXPPABHEAYAKE-UHFFFAOYSA-N 0 3 236.323 0.856 20 0 BCADHN CC(C)CC[C@H](C)Nc1nc(N)nc(N)n1 ZINC000623889108 371141794 /nfs/dbraw/zinc/14/17/94/371141794.db2.gz CUDMPCZADJJWET-ZETCQYMHSA-N 0 3 224.312 0.355 20 0 BCADHN COC[C@H](C)N[C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000623816910 371108099 /nfs/dbraw/zinc/10/80/99/371108099.db2.gz UPUMMNCOQKDIBH-SFGNSQDASA-N 0 3 241.291 0.833 20 0 BCADHN C[C@H](c1cccnc1)N(C)c1nc(N)nc(N)n1 ZINC000623902673 371148190 /nfs/dbraw/zinc/14/81/90/371148190.db2.gz NBDNNJMRFUTZNX-SSDOTTSWSA-N 0 3 245.290 0.289 20 0 BCADHN CC(C)C[C@@H]1CCCN1c1nc(N)nc(N)n1 ZINC000623912725 371151350 /nfs/dbraw/zinc/15/13/50/371151350.db2.gz RREDTJKISLHGHA-QMMMGPOBSA-N 0 3 236.323 0.712 20 0 BCADHN CC[C@H]1CCCN1c1nc(N)nc(N)n1 ZINC000623934421 371163194 /nfs/dbraw/zinc/16/31/94/371163194.db2.gz RRNRZJBYYABYLL-LURJTMIESA-N 0 3 208.269 0.076 20 0 BCADHN CC1(CNc2nc(N)nc(N)n2)CCCC1 ZINC000623956720 371196084 /nfs/dbraw/zinc/19/60/84/371196084.db2.gz NORYQXHOIKSQRS-UHFFFAOYSA-N 0 3 222.296 0.111 20 0 BCADHN Nc1nc(N)nc(N2CC[C@H](c3ccco3)C2)n1 ZINC000623960843 371198703 /nfs/dbraw/zinc/19/87/03/371198703.db2.gz JSXJSNTXZWUVDK-ZETCQYMHSA-N 0 3 246.274 0.284 20 0 BCADHN CC(C)[C@H]1CCCCN1c1nc(N)nc(N)n1 ZINC000623979815 371213256 /nfs/dbraw/zinc/21/32/56/371213256.db2.gz MUYBPUWIBAISTQ-MRVPVSSYSA-N 0 3 236.323 0.712 20 0 BCADHN CC[C@@H]1CCC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000623989248 371221897 /nfs/dbraw/zinc/22/18/97/371221897.db2.gz PLHRXUSFXPHPBB-SFYZADRCSA-N 0 3 236.323 0.499 20 0 BCADHN CC[C@@]1(C)CCCN(c2nc(N)nc(N)n2)C1 ZINC000624005366 371243705 /nfs/dbraw/zinc/24/37/05/371243705.db2.gz OYHZUHZVIIQYHX-NSHDSACASA-N 0 3 236.323 0.713 20 0 BCADHN C[C@H]1CC[C@H](C)N(c2nc(N)nc(N)n2)C1 ZINC000624007797 371244511 /nfs/dbraw/zinc/24/45/11/371244511.db2.gz FRIHNCWKKIFKPP-BQBZGAKWSA-N 0 3 222.296 0.322 20 0 BCADHN CC[C@H](C(=O)NCCSC)N(C)C ZINC000155461300 371245882 /nfs/dbraw/zinc/24/58/82/371245882.db2.gz CECBHLAEHVHMIE-MRVPVSSYSA-N 0 3 204.339 0.806 20 0 BCADHN C[C@@H]1c2ccccc2CN1c1nc(N)nc(N)n1 ZINC000624013821 371249016 /nfs/dbraw/zinc/24/90/16/371249016.db2.gz KFBJHIFXOJHQHT-SSDOTTSWSA-N 0 3 242.286 0.778 20 0 BCADHN Cc1c(C(=O)N2CCCNCC2)cnn1C ZINC000020248650 371251139 /nfs/dbraw/zinc/25/11/39/371251139.db2.gz QODDAYOWIGOJPA-UHFFFAOYSA-N 0 3 222.292 0.164 20 0 BCADHN COCC[C@@H](C)N[C@@H](CO)c1ccnn1C ZINC000624018249 371254150 /nfs/dbraw/zinc/25/41/50/371254150.db2.gz OTJUFYOIRAFACH-ZJUUUORDSA-N 0 3 227.308 0.468 20 0 BCADHN CCCC[C@@H](CCC)Nc1nc(N)nc(N)n1 ZINC000624022336 371254670 /nfs/dbraw/zinc/25/46/70/371254670.db2.gz LMGFCXJDNBEKEP-MRVPVSSYSA-N 0 3 238.339 0.889 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1c1nc(N)nc(N)n1 ZINC000624033815 371261947 /nfs/dbraw/zinc/26/19/47/371261947.db2.gz RVDDVQJYIWRKBL-PHDIDXHHSA-N 0 3 208.269 0.074 20 0 BCADHN CCCN(CC1CC1)c1nc(N)nc(N)n1 ZINC000624054674 371280495 /nfs/dbraw/zinc/28/04/95/371280495.db2.gz KDOPHWUGGAHMLV-UHFFFAOYSA-N 0 3 222.296 0.323 20 0 BCADHN Nc1nc(N)nc(N2CCC(C(F)F)CC2)n1 ZINC000624045181 371270406 /nfs/dbraw/zinc/27/04/06/371270406.db2.gz AZFHYRXUCQMLIO-UHFFFAOYSA-N 0 3 244.249 0.178 20 0 BCADHN Cc1cc(CNCCC(=O)N(C)C)ccn1 ZINC000391182467 371276229 /nfs/dbraw/zinc/27/62/29/371276229.db2.gz URZLHDJIKMVYHL-UHFFFAOYSA-N 0 3 221.304 0.958 20 0 BCADHN CN(C[C@@H]1CC=CCC1)c1nc(N)nc(N)n1 ZINC000624098232 371304529 /nfs/dbraw/zinc/30/45/29/371304529.db2.gz TXXYMEBEDWILHV-MRVPVSSYSA-N 0 3 234.307 0.489 20 0 BCADHN CC[C@@H]1[C@@H](C)CCN1c1nc(N)nc(N)n1 ZINC000624112042 371317011 /nfs/dbraw/zinc/31/70/11/371317011.db2.gz LLMQEZJMEPHVQH-NKWVEPMBSA-N 0 3 222.296 0.322 20 0 BCADHN Nc1nc(N)nc(NC2CCC3(CC3)CC2)n1 ZINC000624159469 371353177 /nfs/dbraw/zinc/35/31/77/371353177.db2.gz DDCJLRBCAMDEPA-UHFFFAOYSA-N 0 3 234.307 0.253 20 0 BCADHN CC(C)N1CC[C@@H](NCc2ccc(=O)[nH]c2)C1=O ZINC000631073572 371353685 /nfs/dbraw/zinc/35/36/85/371353685.db2.gz MRDGSZIJGVDUPW-LLVKDONJSA-N 0 3 249.314 0.886 20 0 BCADHN CCO[C@@]1(C)C[C@H]1NC(=O)NC[C@H](C)N(C)C ZINC000624165147 371360434 /nfs/dbraw/zinc/36/04/34/371360434.db2.gz ZWUBDUAVUVXFAH-UMNHJUIQSA-N 0 3 243.351 0.803 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)NC[C@H](C)N(C)C)C1 ZINC000624164666 371360474 /nfs/dbraw/zinc/36/04/74/371360474.db2.gz BPKVPHXNSQSMOC-GARJFASQSA-N 0 3 243.351 0.661 20 0 BCADHN COC[C@@H](CCO)NCc1ccc(=O)[nH]c1 ZINC000631076190 371361144 /nfs/dbraw/zinc/36/11/44/371361144.db2.gz IYMYHSIIRPGWQG-SNVBAGLBSA-N 0 3 226.276 0.274 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1C)c1cnn(C)c1 ZINC000624174045 371365003 /nfs/dbraw/zinc/36/50/03/371365003.db2.gz QCKDEWRGOSVARK-PWSUYJOCSA-N 0 3 238.335 0.401 20 0 BCADHN CC[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1nccn1C ZINC000624132496 371335059 /nfs/dbraw/zinc/33/50/59/371335059.db2.gz RBWHREMQTSMHNC-OPRDCNLKSA-N 0 3 236.319 0.725 20 0 BCADHN NC(=O)[C@H]1C[C@H](N[C@H]2CCCn3nccc32)C1 ZINC000624133843 371336163 /nfs/dbraw/zinc/33/61/63/371336163.db2.gz YERVIPYPQIGWLK-GUBZILKMSA-N 0 3 234.303 0.572 20 0 BCADHN CC(C)(CNCc1cn[nH]c1)N1CCOCC1 ZINC000624212107 371397759 /nfs/dbraw/zinc/39/77/59/371397759.db2.gz RGGYFPCHPDYUIM-UHFFFAOYSA-N 0 3 238.335 0.610 20 0 BCADHN CC(C)N1C[C@@H](NCc2ccc(=O)[nH]c2)CC1=O ZINC000631077413 371400011 /nfs/dbraw/zinc/40/00/11/371400011.db2.gz UQERHWJKFQBLTO-NSHDSACASA-N 0 3 249.314 0.886 20 0 BCADHN C[C@@H](NC[C@H]1C[C@@H](O)C1)c1ccn(C)n1 ZINC000624215580 371402544 /nfs/dbraw/zinc/40/25/44/371402544.db2.gz RZMQOVRXCHYYCO-BBBLOLIVSA-N 0 3 209.293 0.842 20 0 BCADHN C[C@H](NCCN1CC[C@@H](O)C1)c1cnccn1 ZINC000624227487 371415772 /nfs/dbraw/zinc/41/57/72/371415772.db2.gz RHZJGBSDBSLIFP-WDEREUQCSA-N 0 3 236.319 0.194 20 0 BCADHN Nc1nc(N)nc(NC2(C(F)F)CCCC2)n1 ZINC000624229540 371416802 /nfs/dbraw/zinc/41/68/02/371416802.db2.gz XVNMLWMWYILNPK-UHFFFAOYSA-N 0 3 244.249 0.687 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NCCN1CC[C@@H](O)C1 ZINC000624228823 371417515 /nfs/dbraw/zinc/41/75/15/371417515.db2.gz CMIPMVFPEAKQEG-GXSJLCMTSA-N 0 3 238.335 0.435 20 0 BCADHN CC1(CC(F)F)CN(c2nc(N)nc(N)n2)C1 ZINC000624329800 371483761 /nfs/dbraw/zinc/48/37/61/371483761.db2.gz HUWHWJMPKKTNHT-UHFFFAOYSA-N 0 3 244.249 0.178 20 0 BCADHN C[C@@H](NCCN1CC[C@H](O)C1)c1ccnn1C ZINC000624338205 371487863 /nfs/dbraw/zinc/48/78/63/371487863.db2.gz UBUFWXBWSUWODC-MNOVXSKESA-N 0 3 238.335 0.137 20 0 BCADHN c1cc2n(n1)CCC[C@@H]2NCC1COC1 ZINC000624235902 371423496 /nfs/dbraw/zinc/42/34/96/371423496.db2.gz RSQLHILKTKEKHQ-JTQLQIEISA-N 0 3 207.277 0.954 20 0 BCADHN CC[C@@H]1CCC[C@H]1CNc1nc(N)nc(N)n1 ZINC000624249703 371435406 /nfs/dbraw/zinc/43/54/06/371435406.db2.gz TZMQQVLAODBSTG-SFYZADRCSA-N 0 3 236.323 0.357 20 0 BCADHN CC(C)C[C@@H](C)N1CCO[C@@H](CC(N)=O)C1 ZINC000624254205 371440252 /nfs/dbraw/zinc/44/02/52/371440252.db2.gz NWGBSUNGQKHPOY-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN CC(C)C[C@@H](C)N1CCO[C@H](CC(N)=O)C1 ZINC000624254204 371440359 /nfs/dbraw/zinc/44/03/59/371440359.db2.gz NWGBSUNGQKHPOY-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@@H](C)N1CCO[C@H](CC(N)=O)C1 ZINC000624254827 371440735 /nfs/dbraw/zinc/44/07/35/371440735.db2.gz YCVMPXQUSNXCCN-RKDXNWHRSA-N 0 3 200.282 0.361 20 0 BCADHN Nc1nc(N)nc(N2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000624255099 371441071 /nfs/dbraw/zinc/44/10/71/371441071.db2.gz DTEVDFBPOIQKNO-OCAPTIKFSA-N 0 3 234.307 0.323 20 0 BCADHN CC1(C)NC(=O)CC[C@@H]1NCc1ccc[nH]c1=O ZINC000624259143 371446344 /nfs/dbraw/zinc/44/63/44/371446344.db2.gz CTDZXLSBWREZQG-JTQLQIEISA-N 0 3 249.314 0.934 20 0 BCADHN C[C@@H](CC(C)(C)C)Nc1nc(N)nc(N)n1 ZINC000624267274 371451428 /nfs/dbraw/zinc/45/14/28/371451428.db2.gz IGEFVQXKVHITJL-LURJTMIESA-N 0 3 224.312 0.355 20 0 BCADHN CC(C)(CNc1nc(N)nc(N)n1)C1=CCCC1 ZINC000624267613 371451933 /nfs/dbraw/zinc/45/19/33/371451933.db2.gz SSDMOSCDBJFJOU-UHFFFAOYSA-N 0 3 248.334 0.667 20 0 BCADHN C[C@@H]1CC(C)(C)CN1c1nc(N)nc(N)n1 ZINC000624279012 371455751 /nfs/dbraw/zinc/45/57/51/371455751.db2.gz DEFQSBFQNBDHFH-ZCFIWIBFSA-N 0 3 222.296 0.322 20 0 BCADHN CCC[C@H](C)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000624280819 371456132 /nfs/dbraw/zinc/45/61/32/371456132.db2.gz RSEVWLIDKQRPTL-VIFPVBQESA-N 0 3 249.380 0.255 20 0 BCADHN Nc1nc(N)nc(N2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000624328137 371482211 /nfs/dbraw/zinc/48/22/11/371482211.db2.gz POEYJYQDYKHNFA-YUMQZZPRSA-N 0 3 234.307 0.466 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N(c2nc(N)nc(N)n2)C1 ZINC000624401415 371500848 /nfs/dbraw/zinc/50/08/48/371500848.db2.gz ZZMPTEIVYZYWES-HTQZYQBOSA-N 0 3 236.323 0.712 20 0 BCADHN CCc1nncn1CCNCc1ccc(=O)[nH]c1 ZINC000631081351 371542875 /nfs/dbraw/zinc/54/28/75/371542875.db2.gz NURIYBLGAAVXOV-UHFFFAOYSA-N 0 3 247.302 0.731 20 0 BCADHN CN1CCCC[C@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000627367934 371586286 /nfs/dbraw/zinc/58/62/86/371586286.db2.gz HTTJBOXBIKCYIH-LBPRGKRZSA-N 0 3 248.330 0.779 20 0 BCADHN Cc1cncn1CC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000627488144 371653975 /nfs/dbraw/zinc/65/39/75/371653975.db2.gz SBNUPEMDDIJWAM-VXGBXAGGSA-N 0 3 248.330 0.354 20 0 BCADHN Cc1cncn1CC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000627488143 371654555 /nfs/dbraw/zinc/65/45/55/371654555.db2.gz SBNUPEMDDIJWAM-RYUDHWBXSA-N 0 3 248.330 0.354 20 0 BCADHN CCC[C@@H](C)[C@@H](CO)NCC(=O)N1CCC1 ZINC000573124419 326431112 /nfs/dbraw/zinc/43/11/12/326431112.db2.gz ZUVKFMJLZNZJLM-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCC[C@@H](CO)C1 ZINC000226765367 371740229 /nfs/dbraw/zinc/74/02/29/371740229.db2.gz FZAVJFLGIVGQKZ-GHMZBOCLSA-N 0 3 245.319 0.005 20 0 BCADHN COC[C@H](O)CN(C)CCOC(C)(C)C ZINC000162474552 371695222 /nfs/dbraw/zinc/69/52/22/371695222.db2.gz KFCDKDUAOZJOIY-SNVBAGLBSA-N 0 3 219.325 0.741 20 0 BCADHN CC(=O)N1CCCN(CCCF)CC1 ZINC000178247458 134305499 /nfs/dbraw/zinc/30/54/99/134305499.db2.gz SNAUQHMJCZJZKA-UHFFFAOYSA-N 0 3 202.273 0.900 20 0 BCADHN CC(=O)CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000627646557 371806143 /nfs/dbraw/zinc/80/61/43/371806143.db2.gz SSRANWOVFPXGFV-PJXYFTJBSA-N 0 3 238.331 0.764 20 0 BCADHN COC[C@](C)(CO)NC[C@H]1CCC(C)(C)O1 ZINC000631083303 371823152 /nfs/dbraw/zinc/82/31/52/371823152.db2.gz MKSSUZSLYFAPJD-PWSUYJOCSA-N 0 3 231.336 0.931 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC[C@@H](CCO)C1 ZINC000227410033 371857217 /nfs/dbraw/zinc/85/72/17/371857217.db2.gz XAULLJGVTOVVLZ-JQWIXIFHSA-N 0 3 245.319 0.005 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccn(C)n2)[C@H](C)CN1 ZINC000227506751 371876989 /nfs/dbraw/zinc/87/69/89/371876989.db2.gz LRDKNCWWXLPHEX-RKDXNWHRSA-N 0 3 222.292 0.243 20 0 BCADHN CCNC(=O)NC(=O)CN(C)[C@@H](C)C1CC1 ZINC000030971047 372000447 /nfs/dbraw/zinc/00/04/47/372000447.db2.gz YMTHPAIUYBMCQB-QMMMGPOBSA-N 0 3 227.308 0.562 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCSC(C)(C)C1 ZINC000133375004 372034345 /nfs/dbraw/zinc/03/43/45/372034345.db2.gz BTWFWGLIWOAUGK-LLVKDONJSA-N 0 3 247.360 0.738 20 0 BCADHN CCc1nn(C)cc1CN[C@H](C)C[S@@](C)=O ZINC000164248625 372125129 /nfs/dbraw/zinc/12/51/29/372125129.db2.gz ZLGYGMPAXGCVKR-ABKXIKBNSA-N 0 3 243.376 0.839 20 0 BCADHN CCc1nn(C)cc1CN[C@@H](C)C[S@@](C)=O ZINC000164248498 372125578 /nfs/dbraw/zinc/12/55/78/372125578.db2.gz ZLGYGMPAXGCVKR-FVMDXXJSSA-N 0 3 243.376 0.839 20 0 BCADHN C[C@@]1(O)C[C@H](NCc2ccc(=O)[nH]c2)C1 ZINC000631160394 372212800 /nfs/dbraw/zinc/21/28/00/372212800.db2.gz RMJBOZHZSPGHQF-JGZJWPJOSA-N 0 3 208.261 0.790 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2ccc(=O)[nH]c2)C1 ZINC000631179517 372219576 /nfs/dbraw/zinc/21/95/76/372219576.db2.gz UDDIZRZIGQNEGC-LLVKDONJSA-N 0 3 235.287 0.498 20 0 BCADHN CN(C)C(=O)C1CCN(C[C@@H]2CCCO2)CC1 ZINC000171015473 372224249 /nfs/dbraw/zinc/22/42/49/372224249.db2.gz JEYJOCXIEPCWMT-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1ncc(CNCC[C@@H](O)C(F)F)n1C ZINC000631214940 372237017 /nfs/dbraw/zinc/23/70/17/372237017.db2.gz FELIFYSHYCECRN-SECBINFHSA-N 0 3 233.262 0.834 20 0 BCADHN O[C@@H]1CCOC[C@H]1NCc1ccc2[nH]cnc2c1 ZINC000631257791 372263883 /nfs/dbraw/zinc/26/38/83/372263883.db2.gz HVQNPOUJICEPEB-CHWSQXEVSA-N 0 3 247.298 0.802 20 0 BCADHN O[C@@H]1CCOC[C@H]1NCc1ccc2nc[nH]c2c1 ZINC000631257791 372263884 /nfs/dbraw/zinc/26/38/84/372263884.db2.gz HVQNPOUJICEPEB-CHWSQXEVSA-N 0 3 247.298 0.802 20 0 BCADHN C[C@H]1CN(C)C[C@@H]1NC1CN(c2ccncn2)C1 ZINC000631258360 372265447 /nfs/dbraw/zinc/26/54/47/372265447.db2.gz QWAFQFGOIUDAKK-JQWIXIFHSA-N 0 3 247.346 0.205 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NC1CN(c2ccncn2)C1 ZINC000631258362 372265867 /nfs/dbraw/zinc/26/58/67/372265867.db2.gz QWAFQFGOIUDAKK-PWSUYJOCSA-N 0 3 247.346 0.205 20 0 BCADHN COc1ncncc1CN[C@@H]1CCCC[C@@H]1O ZINC000631301178 372285512 /nfs/dbraw/zinc/28/55/12/372285512.db2.gz HAPFINNQQRWMIJ-MNOVXSKESA-N 0 3 237.303 0.878 20 0 BCADHN C[C@@H](CNC(=O)CN(C)C)N(C)C1CC1 ZINC000171103450 372313268 /nfs/dbraw/zinc/31/32/68/372313268.db2.gz RFOCUPDQOUILCB-VIFPVBQESA-N 0 3 213.325 0.147 20 0 BCADHN Cc1noc(C(=O)NCC2=CCN(C)CC2)n1 ZINC000631389531 372331251 /nfs/dbraw/zinc/33/12/51/372331251.db2.gz PLVLLHOLVBQYCJ-UHFFFAOYSA-N 0 3 236.275 0.370 20 0 BCADHN CCCCC(=O)NCCN(C)CCOC ZINC000171130075 372335292 /nfs/dbraw/zinc/33/52/92/372335292.db2.gz NWRBCDCPJCXUBB-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C2CSC2)CCN1C ZINC000631488241 372375652 /nfs/dbraw/zinc/37/56/52/372375652.db2.gz REQBRZWUBBYHEI-WCBMZHEXSA-N 0 3 228.361 0.948 20 0 BCADHN CCNS(=O)(=O)CCCN1CCCC1 ZINC000631640361 372476495 /nfs/dbraw/zinc/47/64/95/372476495.db2.gz WZMWMOWRGJKMJX-UHFFFAOYSA-N 0 3 220.338 0.412 20 0 BCADHN CN(C)CCN(C)C(=O)c1ncc2ccccn21 ZINC000631600868 372451407 /nfs/dbraw/zinc/45/14/07/372451407.db2.gz URHLJXQXLVXYJE-UHFFFAOYSA-N 0 3 246.314 0.968 20 0 BCADHN C[C@H](N[C@H]1C[C@@H](CO)C1)c1ccnn1C ZINC000631672149 372498933 /nfs/dbraw/zinc/49/89/33/372498933.db2.gz KLZOIMCSUFMUCJ-LPEHRKFASA-N 0 3 209.293 0.842 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H]2COC[C@@H]2O)C12CCC2 ZINC000631672664 372499143 /nfs/dbraw/zinc/49/91/43/372499143.db2.gz AMFMGSOMBLHULR-WRWGMCAJSA-N 0 3 241.331 0.683 20 0 BCADHN CC[C@@H](N[C@@H]1COC[C@@H]1O)c1ccncc1 ZINC000631675577 372502193 /nfs/dbraw/zinc/50/21/93/372502193.db2.gz VHTPOXMKTLAQBP-UTUOFQBUSA-N 0 3 222.288 0.882 20 0 BCADHN C[C@@H](N[C@@H]1COC[C@@H]1O)c1cccc(CO)c1 ZINC000631676001 372503595 /nfs/dbraw/zinc/50/35/95/372503595.db2.gz 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O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1CC1(F)F ZINC000336238739 182303154 /nfs/dbraw/zinc/30/31/54/182303154.db2.gz DXAOBXJSNUAFQV-VXNVDRBHSA-N 0 3 230.258 0.995 20 0 BCADHN O=C(N[C@@H]1CCOC1)C12CCCN1CCC2 ZINC000339515736 182304124 /nfs/dbraw/zinc/30/41/24/182304124.db2.gz AYKHCSBJIAZDTI-SNVBAGLBSA-N 0 3 224.304 0.520 20 0 BCADHN COCCOC[C@H](C)NC(=O)[C@H]1CCCCN1 ZINC000429987421 206061571 /nfs/dbraw/zinc/06/15/71/206061571.db2.gz CVDXTPHRQJVIRT-WDEREUQCSA-N 0 3 244.335 0.296 20 0 BCADHN CCOCC(=O)NC[C@@H]1CCCN1C ZINC000194718516 206107157 /nfs/dbraw/zinc/10/71/57/206107157.db2.gz NKDKCFVRLPTRII-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CCOC(=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)C(N)=O ZINC000451595902 206109507 /nfs/dbraw/zinc/10/95/07/206109507.db2.gz XYZSUUUOJGAIEX-AEJSXWLSSA-N 0 3 242.319 0.572 20 0 BCADHN CC[C@@H](C(=O)N1CC(C)(COC)C1)N(C)C ZINC000447880126 206093818 /nfs/dbraw/zinc/09/38/18/206093818.db2.gz CWHKOLCZFIHTSH-JTQLQIEISA-N 0 3 228.336 0.822 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1CC1(F)F ZINC000336238738 182334195 /nfs/dbraw/zinc/33/41/95/182334195.db2.gz DXAOBXJSNUAFQV-IONNQARKSA-N 0 3 230.258 0.995 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(=O)[nH]c1 ZINC000044414089 182334246 /nfs/dbraw/zinc/33/42/46/182334246.db2.gz XHHMAXJTQQPNFH-JTQLQIEISA-N 0 3 247.298 0.341 20 0 BCADHN CCO[C@@H]1C[C@H](NCC(=O)N(C)C)[C@@H]1SC ZINC000459468090 206127165 /nfs/dbraw/zinc/12/71/65/206127165.db2.gz QOGSBTCFFDPYTI-NGZCFLSTSA-N 0 3 246.376 0.573 20 0 BCADHN CCN1C[C@@H](C)N(C[C@H](C)O)C[C@H]1C ZINC000459374897 206125362 /nfs/dbraw/zinc/12/53/62/206125362.db2.gz PBNIKSKSKSIPIW-MXWKQRLJSA-N 0 3 200.326 0.782 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)[C@@H]1CCCOC1 ZINC000334761255 182342865 /nfs/dbraw/zinc/34/28/65/182342865.db2.gz GQGWYWZVELGYTC-BDAKNGLRSA-N 0 3 248.273 0.526 20 0 BCADHN Cc1cccc(CNC[C@H](O)Cn2ccnn2)c1 ZINC000459704978 206137901 /nfs/dbraw/zinc/13/79/01/206137901.db2.gz UHUNZRVADFDLSZ-ZDUSSCGKSA-N 0 3 246.314 0.737 20 0 BCADHN O=C(Nc1cc(F)cc(F)c1)[C@@H]1C[C@H](O)CN1 ZINC000020434395 182349748 /nfs/dbraw/zinc/34/97/48/182349748.db2.gz QHTCQRLIDLOHDA-UWVGGRQHSA-N 0 3 242.225 0.626 20 0 BCADHN O=C(Nc1ccc2[nH]ccc2c1)[C@@H]1C[C@@H](O)CN1 ZINC000040809810 182362443 /nfs/dbraw/zinc/36/24/43/182362443.db2.gz TTWGFGKRGRXUDR-PWSUYJOCSA-N 0 3 245.282 0.829 20 0 BCADHN O=C(Nc1cccc(O)c1)[C@H]1C[C@H](O)CN1 ZINC000040495365 182372140 /nfs/dbraw/zinc/37/21/40/182372140.db2.gz QXFMVZZPQXOOQB-VHSXEESVSA-N 0 3 222.244 0.054 20 0 BCADHN O=C(Nc1cccc2c[nH]nc21)[C@H]1C[C@@H](O)CN1 ZINC000037044420 182373381 /nfs/dbraw/zinc/37/33/81/182373381.db2.gz BSXMSSPUNWUXIE-PSASIEDQSA-N 0 3 246.270 0.224 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@H](C)C(C)(C)OC ZINC000301030114 170089444 /nfs/dbraw/zinc/08/94/44/170089444.db2.gz ULEOXQCDEOYPJM-RKDXNWHRSA-N 0 3 216.325 0.914 20 0 BCADHN O=C1[N-]C(=O)C2(CC[NH+](CCCCF)CC2)N1 ZINC000331551498 182791953 /nfs/dbraw/zinc/79/19/53/182791953.db2.gz FSXPGZSNPJTTBB-UHFFFAOYSA-N 0 3 243.282 0.410 20 0 BCADHN CCOCCN(CCO)[C@@H]1CCO[C@H]1C ZINC000361557784 170397133 /nfs/dbraw/zinc/39/71/33/170397133.db2.gz SMIDIJYKKMPOOO-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN OCC1CCN(CCn2ccnc2)CC1 ZINC000050104680 183041158 /nfs/dbraw/zinc/04/11/58/183041158.db2.gz FLOMVPVBAKXIPB-UHFFFAOYSA-N 0 3 209.293 0.587 20 0 BCADHN OCC(CO)NCc1ccc(F)c(Cl)c1 ZINC000088041072 183033203 /nfs/dbraw/zinc/03/32/03/183033203.db2.gz PHAUIGCQODCSRH-UHFFFAOYSA-N 0 3 233.670 0.922 20 0 BCADHN OCC1(NCc2c[nH]c3nccnc23)CCC1 ZINC000290778662 183037486 /nfs/dbraw/zinc/03/74/86/183037486.db2.gz CBJODJNWKRQLFX-UHFFFAOYSA-N 0 3 232.287 0.963 20 0 BCADHN OCCN(CCO)CCOc1ccccc1 ZINC000036421138 183066497 /nfs/dbraw/zinc/06/64/97/183066497.db2.gz VOUWIXZCTHZNEH-UHFFFAOYSA-N 0 3 225.288 0.352 20 0 BCADHN OCCN1CCCC[C@H]1Cn1cccn1 ZINC000363489840 183072375 /nfs/dbraw/zinc/07/23/75/183072375.db2.gz OZLLADMMDZFYBO-NSHDSACASA-N 0 3 209.293 0.730 20 0 BCADHN OCCN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000308879090 183075576 /nfs/dbraw/zinc/07/55/76/183075576.db2.gz VCHXBIGGELKVSV-QMMMGPOBSA-N 0 3 227.226 0.758 20 0 BCADHN OCCN1CCc2ccccc2[C@H]1CO ZINC000133883910 183076260 /nfs/dbraw/zinc/07/62/60/183076260.db2.gz YHSFAFUBWINAAO-GFCCVEGCSA-N 0 3 207.273 0.570 20 0 BCADHN OCC[C@H](NC1COC1)C1CCOCC1 ZINC000308873829 183096109 /nfs/dbraw/zinc/09/61/09/183096109.db2.gz LZUNALHXLQXARV-NSHDSACASA-N 0 3 215.293 0.152 20 0 BCADHN OCCOCCN1CCC(n2ccnc2)CC1 ZINC000133041870 183083285 /nfs/dbraw/zinc/08/32/85/183083285.db2.gz ZAZZZMKKBKTJSR-UHFFFAOYSA-N 0 3 239.319 0.529 20 0 BCADHN OCCOCCN[C@H](CCO)c1ccccc1 ZINC000341219385 183085806 /nfs/dbraw/zinc/08/58/06/183085806.db2.gz LFJDFFHDDRSPSR-CYBMUJFWSA-N 0 3 239.315 0.709 20 0 BCADHN OCCO[C@H]1CCCN(CCn2ccnc2)C1 ZINC000179248374 183085884 /nfs/dbraw/zinc/08/58/84/183085884.db2.gz FZFBEDZUQPYSOE-LBPRGKRZSA-N 0 3 239.319 0.356 20 0 BCADHN OCCOCCN[C@H](CO)c1ccccc1 ZINC000063001662 183086167 /nfs/dbraw/zinc/08/61/67/183086167.db2.gz GMHJHIOGQJAFPI-GFCCVEGCSA-N 0 3 225.288 0.319 20 0 BCADHN OC[C@@H]1CCCCN1CCN1CCCOCC1 ZINC000361284867 183116552 /nfs/dbraw/zinc/11/65/52/183116552.db2.gz BFFJRRPONSXQEM-ZDUSSCGKSA-N 0 3 242.363 0.556 20 0 BCADHN CCCC[C@H](N)C(=O)N(C)CC(=O)NC(C)C ZINC000037801344 169005595 /nfs/dbraw/zinc/00/55/95/169005595.db2.gz MJNRBWLYASHINI-JTQLQIEISA-N 0 3 243.351 0.487 20 0 BCADHN CCCC[C@H](N)C(=O)NCCC(=O)OCC ZINC000041680009 169005942 /nfs/dbraw/zinc/00/59/42/169005942.db2.gz KHLRMZGVKIERML-VIFPVBQESA-N 0 3 230.308 0.573 20 0 BCADHN CCCC[C@H](N)C(=O)N1CCO[C@H](C)C1 ZINC000037480409 169006220 /nfs/dbraw/zinc/00/62/20/169006220.db2.gz YKWXHIMVNVUNHR-ZJUUUORDSA-N 0 3 214.309 0.751 20 0 BCADHN O=C1NCCN1CCN1CCC[C@@H](CO)CC1 ZINC000328874860 183118384 /nfs/dbraw/zinc/11/83/84/183118384.db2.gz RVGZZMQEZYWEHH-LLVKDONJSA-N 0 3 241.335 0.310 20 0 BCADHN CCCC[C@H](N)C(=O)NCc1nc(C)no1 ZINC000038035058 169006873 /nfs/dbraw/zinc/00/68/73/169006873.db2.gz RAYHTODMMZUGGW-QMMMGPOBSA-N 0 3 226.280 0.512 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000037619570 169006913 /nfs/dbraw/zinc/00/69/13/169006913.db2.gz KDSUMGRRHJXUEQ-QWRGUYRKSA-N 0 3 238.335 0.905 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@@H]1CCCCNC1=O ZINC000037619994 169007794 /nfs/dbraw/zinc/00/77/94/169007794.db2.gz MAYOWIZSZQYGBJ-VHSXEESVSA-N 0 3 241.335 0.289 20 0 BCADHN CCCC[C@H](N)C(=O)NCCn1ccnc1 ZINC000041051053 169008310 /nfs/dbraw/zinc/00/83/10/169008310.db2.gz VJLSANSKAFADJP-JTQLQIEISA-N 0 3 224.308 0.517 20 0 BCADHN OCC[C@H]1CSCCN1C[C@@H]1CCCO1 ZINC000336653792 183098149 /nfs/dbraw/zinc/09/81/49/183098149.db2.gz YPFNMOWKPKVTOB-QWRGUYRKSA-N 0 3 231.361 0.965 20 0 BCADHN OC[C@@H](CNCc1cncnc1)C1CC1 ZINC000336744186 183106538 /nfs/dbraw/zinc/10/65/38/183106538.db2.gz ZAHGTOYGZMMISF-LLVKDONJSA-N 0 3 207.277 0.585 20 0 BCADHN OC[C@@H](NCc1cnc[nH]1)[C@@H]1CCCO1 ZINC000308952296 183110115 /nfs/dbraw/zinc/11/01/15/183110115.db2.gz VRRPFOIMYKVAOD-ZJUUUORDSA-N 0 3 211.265 0.039 20 0 BCADHN OC[C@@H](O)CNCc1ccc(-n2cccn2)cc1 ZINC000090282097 183110404 /nfs/dbraw/zinc/11/04/04/183110404.db2.gz HLLYWXRPWRCOCC-ZDUSSCGKSA-N 0 3 247.298 0.315 20 0 BCADHN OC[C@@H](O)CNCc1ccc(F)c(F)c1 ZINC000049577735 183110729 /nfs/dbraw/zinc/11/07/29/183110729.db2.gz JAHFFRPMYFKKKS-QMMMGPOBSA-N 0 3 217.215 0.408 20 0 BCADHN OC[C@@H](O)CNCc1ccnn1-c1ccccc1 ZINC000279875090 183110970 /nfs/dbraw/zinc/11/09/70/183110970.db2.gz RDCFLHCBGTVODI-ZDUSSCGKSA-N 0 3 247.298 0.315 20 0 BCADHN OC[C@@H](O)CNCc1ccc2cc[nH]c2c1 ZINC000083350418 183111219 /nfs/dbraw/zinc/11/12/19/183111219.db2.gz GRPYZRRUARNPLX-NSHDSACASA-N 0 3 220.272 0.611 20 0 BCADHN OC[C@H]1[C@@H]2CN(C[C@@H](O)c3ccccc3)C[C@H]12 ZINC000366394515 183132404 /nfs/dbraw/zinc/13/24/04/183132404.db2.gz DZDILRNTFQYLFC-ZOBORPQBSA-N 0 3 233.311 0.890 20 0 BCADHN OC[C@H]1[C@@H]2CN(CCO[C@@H]3CCCCO3)C[C@H]12 ZINC000368343599 183133209 /nfs/dbraw/zinc/13/32/09/183133209.db2.gz YVPOVNJLOWCGKP-MROQNXINSA-N 0 3 241.331 0.700 20 0 BCADHN OC[C@@]1(F)CCN(CC2CCOCC2)C1 ZINC000336244799 183133581 /nfs/dbraw/zinc/13/35/81/183133581.db2.gz FWHWWDPUUVITAQ-LLVKDONJSA-N 0 3 217.284 0.819 20 0 BCADHN OC[C@H](CC(F)(F)F)N[C@@H]1CCOC1 ZINC000336668270 183136448 /nfs/dbraw/zinc/13/64/48/183136448.db2.gz WTAJUPWVVDETTR-RQJHMYQMSA-N 0 3 213.199 0.678 20 0 BCADHN OC[C@@]1([C@@H](NCCF)C2CC2)CCCO1 ZINC000339766808 183136547 /nfs/dbraw/zinc/13/65/47/183136547.db2.gz MYMYRUHJYVGMAV-WDEREUQCSA-N 0 3 217.284 0.866 20 0 BCADHN OC[C@H](NCc1ccncc1)[C@@H]1CCCO1 ZINC000336659904 183141330 /nfs/dbraw/zinc/14/13/30/183141330.db2.gz ASYVIZFXTNOUDS-RYUDHWBXSA-N 0 3 222.288 0.711 20 0 BCADHN OC[C@H](NCc1cnc[nH]1)[C@@H]1CCCO1 ZINC000308952291 183141838 /nfs/dbraw/zinc/14/18/38/183141838.db2.gz VRRPFOIMYKVAOD-UWVGGRQHSA-N 0 3 211.265 0.039 20 0 BCADHN OC[C@H](O)CNC/C=C/c1ccc(F)cc1 ZINC000083353892 183142171 /nfs/dbraw/zinc/14/21/71/183142171.db2.gz VDDHEGRAXUDZAP-YYRQZUAOSA-N 0 3 225.263 0.782 20 0 BCADHN OC[C@H](O)CNCC1=Cc2ccccc2OC1 ZINC000276844404 183142295 /nfs/dbraw/zinc/14/22/95/183142295.db2.gz ZBEDYROWTDEWCR-GFCCVEGCSA-N 0 3 235.283 0.405 20 0 BCADHN OC[C@H](O)CNCc1cccc2cccnc21 ZINC000090282538 183142322 /nfs/dbraw/zinc/14/23/22/183142322.db2.gz BFLXYCHZBGIMRU-GFCCVEGCSA-N 0 3 232.283 0.678 20 0 BCADHN OC[C@H](O)CNCc1c[nH]c(-c2ccccc2)n1 ZINC000276823754 183143271 /nfs/dbraw/zinc/14/32/71/183143271.db2.gz WPBWPFNELSDDPN-GFCCVEGCSA-N 0 3 247.298 0.520 20 0 BCADHN OC[C@H](O)CNCc1cnc(-c2ccccc2)[nH]1 ZINC000276823754 183143273 /nfs/dbraw/zinc/14/32/73/183143273.db2.gz WPBWPFNELSDDPN-GFCCVEGCSA-N 0 3 247.298 0.520 20 0 BCADHN OC[C@@H]1CC[C@H](CNCc2cncs2)O1 ZINC000292622127 183124149 /nfs/dbraw/zinc/12/41/49/183124149.db2.gz IVWAFNUZQXDQSJ-BDAKNGLRSA-N 0 3 228.317 0.773 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1[C@H]1Cc2ccccc2[C@H]1O ZINC000186479827 183130516 /nfs/dbraw/zinc/13/05/16/183130516.db2.gz CWOKORWXDUSLDN-AUZPSNTRSA-N 0 3 249.310 0.072 20 0 BCADHN OC[C@H]1CN(Cc2ccccc2)C[C@H]1O ZINC000034197611 183155037 /nfs/dbraw/zinc/15/50/37/183155037.db2.gz XQYUBSUGHRDQSN-VXGBXAGGSA-N 0 3 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20 0 BCADHN c1cc(CN[C@H]2CCc3nc[nH]c3C2)n[nH]1 ZINC000335607503 183353348 /nfs/dbraw/zinc/35/33/48/183353348.db2.gz WJDHQVNQUGLYDG-QMMMGPOBSA-N 0 3 217.276 0.780 20 0 BCADHN c1cc(CN[C@H]2CCc3[nH]cnc3C2)n[nH]1 ZINC000335607503 183353349 /nfs/dbraw/zinc/35/33/49/183353349.db2.gz WJDHQVNQUGLYDG-QMMMGPOBSA-N 0 3 217.276 0.780 20 0 BCADHN CCCNC(=O)CCC(=O)N[C@H](C)CN(C)C ZINC000346234205 169214647 /nfs/dbraw/zinc/21/46/47/169214647.db2.gz VZHHLGRBDAJWBS-SNVBAGLBSA-N 0 3 243.351 0.359 20 0 BCADHN CCCNC(=O)CCNC(=O)C1(N)CCCC1 ZINC000045088623 169215869 /nfs/dbraw/zinc/21/58/69/169215869.db2.gz BBBRCGYIOIJXGJ-UHFFFAOYSA-N 0 3 241.335 0.290 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@H](CC)N(C)C ZINC000124912893 169217157 /nfs/dbraw/zinc/21/71/57/169217157.db2.gz WUSHAJIDECRIHB-JTQLQIEISA-N 0 3 243.351 0.359 20 0 BCADHN CCCNC(=O)CN(CCC)C[C@@H](O)CC ZINC000106383418 169221128 /nfs/dbraw/zinc/22/11/28/169221128.db2.gz CVEDSBNGLUMLTH-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN CCCNC(=O)CN1CCCN(CCC)CC1 ZINC000112409740 169221145 /nfs/dbraw/zinc/22/11/45/169221145.db2.gz UOJQHNREWXTGIA-UHFFFAOYSA-N 0 3 241.379 0.930 20 0 BCADHN CCCNC(=O)CN1CC[C@@H](C)[C@H]1CO ZINC000248907474 169222618 /nfs/dbraw/zinc/22/26/18/169222618.db2.gz IHKQWICODZBDKS-NXEZZACHSA-N 0 3 214.309 0.215 20 0 BCADHN CCCNC(=O)CN1C[C@@H](C)N(CC)C[C@@H]1C ZINC000346188452 169222720 /nfs/dbraw/zinc/22/27/20/169222720.db2.gz JJCBEFJRDPTGRY-NEPJUHHUSA-N 0 3 241.379 0.927 20 0 BCADHN CCCNC(=O)NC(=O)CN1C[C@@H](C)C[C@@H]1C ZINC000354204231 169236287 /nfs/dbraw/zinc/23/62/87/169236287.db2.gz DMWHNTOTIHOSPS-UWVGGRQHSA-N 0 3 241.335 0.953 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CC[C@](C)(C(N)=O)C1 ZINC000361562269 169241140 /nfs/dbraw/zinc/24/11/40/169241140.db2.gz BBDAMYUIWVRXAR-SKDRFNHKSA-N 0 3 241.335 0.098 20 0 BCADHN CCCNC(=O)[C@@H](C)N(C)CC(C)(C)O ZINC000081747518 169241156 /nfs/dbraw/zinc/24/11/56/169241156.db2.gz PJUVFLMZLFCLMU-SECBINFHSA-N 0 3 216.325 0.604 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@H](CO)C1 ZINC000051887975 169245739 /nfs/dbraw/zinc/24/57/39/169245739.db2.gz JAZRKIYFKTVNPP-UWVGGRQHSA-N 0 3 214.309 0.215 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@](C)(C(N)=O)C1 ZINC000361562265 169245746 /nfs/dbraw/zinc/24/57/46/169245746.db2.gz BBDAMYUIWVRXAR-CABZTGNLSA-N 0 3 241.335 0.098 20 0 BCADHN CCCNS(=O)(=O)NC[C@@H](C)N(C)C1CC1 ZINC000331764768 169271176 /nfs/dbraw/zinc/27/11/76/169271176.db2.gz OJQOUBFMQDJOQE-SECBINFHSA-N 0 3 249.380 0.303 20 0 BCADHN CCCOCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105327977 169303109 /nfs/dbraw/zinc/30/31/09/169303109.db2.gz KOAZJGIJBVFAMT-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCCOCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000227355563 169304114 /nfs/dbraw/zinc/30/41/14/169304114.db2.gz KBDKULKNSYADEL-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CCC[C@@H](C(=O)N(C)Cc1nnc[n-]1)[NH+](C)C ZINC000179396980 169343313 /nfs/dbraw/zinc/34/33/13/169343313.db2.gz UYOWKBSLZLILNJ-VIFPVBQESA-N 0 3 239.323 0.493 20 0 BCADHN CCCS(=O)(=O)N1CCCNCC1 ZINC000019679998 169330213 /nfs/dbraw/zinc/33/02/13/169330213.db2.gz RQHVWEZOMCNLCH-UHFFFAOYSA-N 0 3 206.311 0.022 20 0 BCADHN CCCS(=O)(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000124031280 169331944 /nfs/dbraw/zinc/33/19/44/169331944.db2.gz LFHWICYHYFYKQZ-VHSXEESVSA-N 0 3 234.365 0.608 20 0 BCADHN CCC[C@@H](C)N1CCC(S(N)(=O)=O)CC1 ZINC000337291879 169366108 /nfs/dbraw/zinc/36/61/08/169366108.db2.gz FKDLHWQXFMAUKZ-SECBINFHSA-N 0 3 234.365 0.928 20 0 BCADHN CCC[C@@H](C)N(C)S(=O)(=O)N1CCNCC1 ZINC000036791084 169366176 /nfs/dbraw/zinc/36/61/76/169366176.db2.gz DMTKDNLQHWDSIR-SNVBAGLBSA-N 0 3 249.380 0.257 20 0 BCADHN CCC[C@@H](C(=O)NC[C@@H]1COCCO1)N(C)C ZINC000330521960 169345457 /nfs/dbraw/zinc/34/54/57/169345457.db2.gz RRMSSFPGQDQDND-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN CCC[C@@H](C(=O)NC[C@@H](C)CO)N(C)C ZINC000305737703 169345498 /nfs/dbraw/zinc/34/54/98/169345498.db2.gz MMEJDKOQRWTBLT-ZJUUUORDSA-N 0 3 216.325 0.461 20 0 BCADHN CCC[C@@H](N)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000036872603 169388060 /nfs/dbraw/zinc/38/80/60/169388060.db2.gz IBOJBRYZJLGYLR-KXUCPTDWSA-N 0 3 214.309 0.750 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCOC[C@@H]1CC ZINC000036873459 169388129 /nfs/dbraw/zinc/38/81/29/169388129.db2.gz XDCGMIWSMJUKML-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCCC[C@H]1C(=O)OC ZINC000037804403 169388256 /nfs/dbraw/zinc/38/82/56/169388256.db2.gz OWNQXXQIMXWLKF-ZJUUUORDSA-N 0 3 242.319 0.668 20 0 BCADHN CCC[C@@H](N)C(=O)NC[C@H](O)c1ccccc1 ZINC000036873225 169389461 /nfs/dbraw/zinc/38/94/61/169389461.db2.gz HLBFYAVOMIOISU-NEPJUHHUSA-N 0 3 236.315 0.964 20 0 BCADHN CCC[C@@H](N)C(=O)NCCc1cnccn1 ZINC000353334506 169389747 /nfs/dbraw/zinc/38/97/47/169389747.db2.gz HLXBGIKUGJDPCQ-SNVBAGLBSA-N 0 3 222.292 0.263 20 0 BCADHN CCC[C@@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000374451327 169388425 /nfs/dbraw/zinc/38/84/25/169388425.db2.gz GURWXDRYYZDQFL-FBTJUVTCSA-N 0 3 240.347 0.733 20 0 BCADHN CCC[C@@H](N)C(=O)NCc1ccc(F)cn1 ZINC000353205957 169390791 /nfs/dbraw/zinc/39/07/91/169390791.db2.gz PCAVDRLFRXOZIS-SNVBAGLBSA-N 0 3 225.267 0.964 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H](COC)C1CC1 ZINC000125403006 169390983 /nfs/dbraw/zinc/39/09/83/169390983.db2.gz RRBCWYAOAHVXAI-ZJUUUORDSA-N 0 3 214.309 0.655 20 0 BCADHN CCC[C@@H](N)C(=O)NCc1cc(C)no1 ZINC000045007150 169390991 /nfs/dbraw/zinc/39/09/91/169390991.db2.gz RVSAWRAXAWNCDH-SECBINFHSA-N 0 3 211.265 0.727 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000362278419 169391771 /nfs/dbraw/zinc/39/17/71/169391771.db2.gz JVIYSYJIAGKVNY-LLVKDONJSA-N 0 3 248.330 0.793 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H](COC)C1CC1 ZINC000125403393 169392216 /nfs/dbraw/zinc/39/22/16/169392216.db2.gz RRBCWYAOAHVXAI-NXEZZACHSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@@]1(O)CCN([C@@H]2CCCCNC2=O)C1 ZINC000179303371 134319458 /nfs/dbraw/zinc/31/94/58/134319458.db2.gz DQLGZOPNGMLIHE-MWLCHTKSSA-N 0 3 212.293 0.112 20 0 BCADHN CCC[C@@H](NC(C)C)C(=O)Nc1cn(C)nn1 ZINC000361150362 169399102 /nfs/dbraw/zinc/39/91/02/169399102.db2.gz PTMCWKXMVUZEDD-SECBINFHSA-N 0 3 239.323 0.920 20 0 BCADHN CCCC[C@H](N)C(=O)Nc1ccnn1C ZINC000222380366 134334141 /nfs/dbraw/zinc/33/41/41/134334141.db2.gz DADVUGJATVYGSY-QMMMGPOBSA-N 0 3 210.281 0.876 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)CN(CC)CC ZINC000359196496 169423117 /nfs/dbraw/zinc/42/31/17/169423117.db2.gz LSVQYFIPGKVOMB-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CO[C@@H](C)CN1CCCC[C@@H]1C(N)=O ZINC000182040605 134341566 /nfs/dbraw/zinc/34/15/66/134341566.db2.gz XMKTXIGYSWPPRS-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H]1CCCCNC1=O ZINC000037622051 169452543 /nfs/dbraw/zinc/45/25/43/169452543.db2.gz WKJFFKDNZSHBAR-BXKDBHETSA-N 0 3 241.335 0.289 20 0 BCADHN CCC[C@H](C(=O)N[C@H](C)c1ncon1)N(C)C ZINC000272203661 169467999 /nfs/dbraw/zinc/46/79/99/169467999.db2.gz QDTGOOHEGGIYQR-RKDXNWHRSA-N 0 3 240.307 0.977 20 0 BCADHN CCOCCC(=O)NC[C@@H](C)N(C)C ZINC000342745760 535455241 /nfs/dbraw/zinc/45/52/41/535455241.db2.gz PTYBMCOIACSGED-SECBINFHSA-N 0 3 202.298 0.479 20 0 BCADHN Cc1nc(CCNC(=O)C2(N)CCC2)cs1 ZINC000226417230 259611894 /nfs/dbraw/zinc/61/18/94/259611894.db2.gz NMYRRBIUMTXXKE-UHFFFAOYSA-N 0 3 239.344 0.992 20 0 BCADHN CCC(CC)CN1CCO[C@@H](C(=O)NC)C1 ZINC000182476115 134345678 /nfs/dbraw/zinc/34/56/78/134345678.db2.gz VKYZINYOZKCBKH-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)C[C@@H](C)C(=O)NC ZINC000226381992 169545420 /nfs/dbraw/zinc/54/54/20/169545420.db2.gz SNIKLLXGJLVPDB-SKDRFNHKSA-N 0 3 243.351 0.344 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H](C)C(=O)OC ZINC000037481545 169546956 /nfs/dbraw/zinc/54/69/56/169546956.db2.gz GVOVRPXWZRRIBN-XVKPBYJWSA-N 0 3 216.281 0.182 20 0 BCADHN CCC[C@@H](N)C(=O)NCCOCC1CC1 ZINC000225401767 134353454 /nfs/dbraw/zinc/35/34/54/134353454.db2.gz SFQNWWOEOYPFFW-SNVBAGLBSA-N 0 3 214.309 0.657 20 0 BCADHN CCOCCN[C@H](C(=O)NC)C(C)C ZINC000183641066 134355384 /nfs/dbraw/zinc/35/53/84/134355384.db2.gz CYFSFGGSLKNVLA-VIFPVBQESA-N 0 3 202.298 0.383 20 0 BCADHN CC[C@@H]1CN(CCC(=O)NC)C[C@H](C)O1 ZINC000111272475 171079239 /nfs/dbraw/zinc/07/92/39/171079239.db2.gz BRAQRKRWASCTFI-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H](CO)CN[C@H]1CCCn2ccnc21 ZINC000655698444 487528442 /nfs/dbraw/zinc/52/84/42/487528442.db2.gz DHBIRBHQYOBGBS-UWVGGRQHSA-N 0 3 209.293 0.936 20 0 BCADHN C[C@@H](O)C1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000225914394 134360140 /nfs/dbraw/zinc/36/01/40/134360140.db2.gz QTRPYHNKJFCLHG-NXEZZACHSA-N 0 3 228.336 0.556 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@H](CCO)C(C)C ZINC000226341379 134360839 /nfs/dbraw/zinc/36/08/39/134360839.db2.gz IOYJLDWYOKSMCK-GHMZBOCLSA-N 0 3 230.352 0.883 20 0 BCADHN C[C@H](O)[C@@H]1CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000226473619 134363625 /nfs/dbraw/zinc/36/36/25/134363625.db2.gz ZABGKACVMMKPQQ-XLPZGREQSA-N 0 3 227.226 0.612 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1nncn1CC ZINC000226391888 134365322 /nfs/dbraw/zinc/36/53/22/134365322.db2.gz CDRLANHJSOLDAS-WPRPVWTQSA-N 0 3 239.323 0.288 20 0 BCADHN NC(=O)c1ccc(CNC[C@@H](O)C(F)F)cc1 ZINC000226575315 134366481 /nfs/dbraw/zinc/36/64/81/134366481.db2.gz XDAIEOJNQQQZSY-SECBINFHSA-N 0 3 244.241 0.501 20 0 BCADHN O[C@H](CNCc1ccncc1)C(F)F ZINC000226578652 134367308 /nfs/dbraw/zinc/36/73/08/134367308.db2.gz LEKFBQCYXOPFMD-MRVPVSSYSA-N 0 3 202.204 0.797 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000226697209 134368758 /nfs/dbraw/zinc/36/87/58/134368758.db2.gz MXRXTGPFMLOCLG-APPZFPTMSA-N 0 3 242.348 0.667 20 0 BCADHN COCCN1CC[C@@H](CN2CCOC2=O)C1 ZINC000496868940 532973571 /nfs/dbraw/zinc/97/35/71/532973571.db2.gz BYLCDHLIQKKRJE-SNVBAGLBSA-N 0 3 228.292 0.407 20 0 BCADHN CCC[C@@H](C)N(C)C(=O)[C@H](CN)OC ZINC000227350169 134378679 /nfs/dbraw/zinc/37/86/79/134378679.db2.gz YWKTVTRNMWBVAR-BDAKNGLRSA-N 0 3 202.298 0.607 20 0 BCADHN O=S(=O)(N[C@@H]1CCCNC1)N1CCCCC1 ZINC000020255667 383827895 /nfs/dbraw/zinc/82/78/95/383827895.db2.gz ZFFKYZCCIOFQRB-SNVBAGLBSA-N 0 3 247.364 0.059 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccc(F)nc1 ZINC000069632966 383837738 /nfs/dbraw/zinc/83/77/38/383837738.db2.gz UOLRLZSDFSQYOO-UHFFFAOYSA-N 0 3 225.267 0.854 20 0 BCADHN C[C@H](O)CCCNCc1cnc(N(C)C)n1C ZINC000227568854 134383296 /nfs/dbraw/zinc/38/32/96/134383296.db2.gz UJPLMCIMOOMRJY-JTQLQIEISA-N 0 3 240.351 0.737 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000037769727 383848589 /nfs/dbraw/zinc/84/85/89/383848589.db2.gz VYDYTOYSCAWPMO-UWVGGRQHSA-N 0 3 241.335 0.241 20 0 BCADHN Cc1cc(C(=O)N2CCNC[C@H]2C)[nH]n1 ZINC000069906588 383850560 /nfs/dbraw/zinc/85/05/60/383850560.db2.gz FUZFCNYFNHSVMG-MRVPVSSYSA-N 0 3 208.265 0.152 20 0 BCADHN Cc1cc(C(=O)N2CCNC[C@H]2C)n[nH]1 ZINC000069906588 383850568 /nfs/dbraw/zinc/85/05/68/383850568.db2.gz FUZFCNYFNHSVMG-MRVPVSSYSA-N 0 3 208.265 0.152 20 0 BCADHN CN(CCn1cccn1)CCn1cccn1 ZINC000111282808 383852539 /nfs/dbraw/zinc/85/25/39/383852539.db2.gz KIVFYVPXVAQDDZ-UHFFFAOYSA-N 0 3 219.292 0.712 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1COc2ccccc21 ZINC000070069095 383857763 /nfs/dbraw/zinc/85/77/63/383857763.db2.gz QEHARZQAMVENCY-VXNVDRBHSA-N 0 3 206.245 0.584 20 0 BCADHN COC(=O)c1ccc(CN[C@@H](C)CO)cc1 ZINC000035603109 383863126 /nfs/dbraw/zinc/86/31/26/383863126.db2.gz BYCCTSYTAFSGRP-VIFPVBQESA-N 0 3 223.272 0.944 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CC[C@@H](F)C1 ZINC000308650653 383880809 /nfs/dbraw/zinc/88/08/09/383880809.db2.gz KGHDLKXYIRUYBM-HLTSFMKQSA-N 0 3 223.313 0.900 20 0 BCADHN CC(C(=O)N1CCCC12CCC2)S(C)(=O)=O ZINC000336429973 383868287 /nfs/dbraw/zinc/86/82/87/383868287.db2.gz AHBKMZUTFRTCAA-VIFPVBQESA-N 0 3 245.344 0.965 20 0 BCADHN Cc1cnc(C(=O)NC[C@H]2CCN(C)C2)cn1 ZINC000066652625 383876702 /nfs/dbraw/zinc/87/67/02/383876702.db2.gz XCVLAGBSWQGRGU-SNVBAGLBSA-N 0 3 234.303 0.467 20 0 BCADHN CC[C@@H](CO)NCc1ccc(C(N)=O)cc1 ZINC000035118338 383831269 /nfs/dbraw/zinc/83/12/69/383831269.db2.gz PYEDDBXEIYBQGM-NSHDSACASA-N 0 3 222.288 0.646 20 0 BCADHN C[C@H](CN1CCOCC1)NCc1cncn1C ZINC000112341105 383919697 /nfs/dbraw/zinc/91/96/97/383919697.db2.gz WGTKYODIGWTNPZ-LLVKDONJSA-N 0 3 238.335 0.230 20 0 BCADHN COC(C)(C)CCN1C[C@@H](C)O[C@H](CO)C1 ZINC000300047697 383922843 /nfs/dbraw/zinc/92/28/43/383922843.db2.gz RGDRXSKXPQVYSE-MNOVXSKESA-N 0 3 231.336 0.883 20 0 BCADHN C[C@H](CCCO)NC(=O)C1(N)CCC1 ZINC000088051573 383925289 /nfs/dbraw/zinc/92/52/89/383925289.db2.gz RWOUSLFHNDXOHA-MRVPVSSYSA-N 0 3 200.282 0.145 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H](C)Cn1cccn1 ZINC000036999156 383927943 /nfs/dbraw/zinc/92/79/43/383927943.db2.gz BDYNBHVTDICAHK-VHSXEESVSA-N 0 3 224.308 0.371 20 0 BCADHN CCSCCN[C@@H]1CS(=O)(=O)C[C@H]1C ZINC000348187782 383931766 /nfs/dbraw/zinc/93/17/66/383931766.db2.gz UAFASARUEBHVRA-RKDXNWHRSA-N 0 3 237.390 0.762 20 0 BCADHN COCC[C@H](C)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000348182433 383931823 /nfs/dbraw/zinc/93/18/23/383931823.db2.gz LGSFNRHSSWVTIT-LPEHRKFASA-N 0 3 235.349 0.434 20 0 BCADHN CCC[C@H](N)C(=O)Nc1nncs1 ZINC000223764671 383886718 /nfs/dbraw/zinc/88/67/18/383886718.db2.gz CGPPKBVECXOGHV-YFKPBYRVSA-N 0 3 200.267 0.604 20 0 BCADHN CC(C)OCCN1CCNC[C@H]1C(F)F ZINC000309542457 383886685 /nfs/dbraw/zinc/88/66/85/383886685.db2.gz YSQBCIAQTNCIHH-VIFPVBQESA-N 0 3 222.279 0.950 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@@H](N)CC(C)C ZINC000237104365 383889067 /nfs/dbraw/zinc/88/90/67/383889067.db2.gz JMTYGELKWICKDX-BDAKNGLRSA-N 0 3 230.308 0.285 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)C1(N)CCCCC1 ZINC000237103762 383889149 /nfs/dbraw/zinc/88/91/49/383889149.db2.gz SWBWGCRLSWXITA-SECBINFHSA-N 0 3 242.319 0.573 20 0 BCADHN CCN(C)CCNC(=O)c1cccnc1OC ZINC000066949307 383902749 /nfs/dbraw/zinc/90/27/49/383902749.db2.gz FRYGLARMRHVNTO-UHFFFAOYSA-N 0 3 237.303 0.772 20 0 BCADHN CCN(C)CCNC(=O)c1cnn(C)c1C ZINC000066959004 383903221 /nfs/dbraw/zinc/90/32/21/383903221.db2.gz SYFQWNMVYUMGTR-UHFFFAOYSA-N 0 3 224.308 0.410 20 0 BCADHN C[C@@H](CNC(=O)c1ccc[n+]([O-])c1)N(C)C1CC1 ZINC000068219438 383979619 /nfs/dbraw/zinc/97/96/19/383979619.db2.gz KNNZQTILVNKFHF-JTQLQIEISA-N 0 3 249.314 0.533 20 0 BCADHN C[C@@H](CNC(=O)c1ccon1)N(C)C1CC1 ZINC000068215661 383979750 /nfs/dbraw/zinc/97/97/50/383979750.db2.gz NDTJMLARUBVVRI-QMMMGPOBSA-N 0 3 223.276 0.887 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1ccncc1 ZINC000070558713 383941491 /nfs/dbraw/zinc/94/14/91/383941491.db2.gz PWDDUEYAMJNBQU-KOLCDFICSA-N 0 3 210.277 0.740 20 0 BCADHN COC[C@H](O)CN[C@H](C)c1ccccn1 ZINC000070558719 383941703 /nfs/dbraw/zinc/94/17/03/383941703.db2.gz HZUXDOLVACQITH-NXEZZACHSA-N 0 3 210.277 0.740 20 0 BCADHN COC[C@H](O)CNCc1ccc(F)cc1 ZINC000070558636 383941848 /nfs/dbraw/zinc/94/18/48/383941848.db2.gz POQKCQNXEMZXTM-LLVKDONJSA-N 0 3 213.252 0.923 20 0 BCADHN CC(C(=O)N[C@@H](C)C(F)(F)F)S(C)(=O)=O ZINC000332432330 383952322 /nfs/dbraw/zinc/95/23/22/383952322.db2.gz BZNYIRGILCMZPG-WHFBIAKZSA-N 0 3 247.238 0.487 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCc1cccnc1 ZINC000037718327 384000740 /nfs/dbraw/zinc/00/07/40/384000740.db2.gz DCFYSTCLCDJWMO-LLVKDONJSA-N 0 3 221.304 0.724 20 0 BCADHN CO[C@H]1C[C@@H](N(C)CCNC(=O)NC(C)C)C1 ZINC000564448167 383959387 /nfs/dbraw/zinc/95/93/87/383959387.db2.gz YIZKSCOEZBYTFO-PHIMTYICSA-N 0 3 243.351 0.803 20 0 BCADHN CNC(=O)NC(=O)CN1CCCC(C)(C)CC1 ZINC000127051681 383964166 /nfs/dbraw/zinc/96/41/66/383964166.db2.gz FXQWJIWFCCACDA-UHFFFAOYSA-N 0 3 241.335 0.954 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@H]2[C@@H](C(F)(F)F)[C@H]21 ZINC000309390854 383966982 /nfs/dbraw/zinc/96/69/82/383966982.db2.gz FVCQOKQDVSNNRI-YTLHQDLWSA-N 0 3 222.210 0.743 20 0 BCADHN C[C@H](NC[C@@H]1CN(C)CCN1C)c1cccnc1 ZINC000068801959 384016677 /nfs/dbraw/zinc/01/66/77/384016677.db2.gz ZOFRQXZPASPMLO-GXTWGEPZSA-N 0 3 248.374 0.978 20 0 BCADHN NC(=O)C1(O)CCN(CC2=CCCC2)CC1 ZINC000401167315 384019691 /nfs/dbraw/zinc/01/96/91/384019691.db2.gz QUURNYQKFFKUAS-UHFFFAOYSA-N 0 3 224.304 0.409 20 0 BCADHN O=C1NC[C@@H]2CN(C[C@@H]3CCSC3)CCN12 ZINC000336502984 384020336 /nfs/dbraw/zinc/02/03/36/384020336.db2.gz KTQGJCKFPQFJFB-VHSXEESVSA-N 0 3 241.360 0.449 20 0 BCADHN CC(C)C(=O)NCCN[C@@H]1CO[C@H](C)C1 ZINC000401794121 384021056 /nfs/dbraw/zinc/02/10/56/384021056.db2.gz PKYILNDGZXGMDG-ZJUUUORDSA-N 0 3 214.309 0.526 20 0 BCADHN CC[C@H](N)C(=O)N(C)CC(=O)N(CC)CC ZINC000037818078 384023837 /nfs/dbraw/zinc/02/38/37/384023837.db2.gz LJDGHVVVIZQGHO-VIFPVBQESA-N 0 3 229.324 0.051 20 0 BCADHN CS(=O)(=O)CCNC1Cc2ccccc2C1 ZINC000037740755 384006933 /nfs/dbraw/zinc/00/69/33/384006933.db2.gz MJMJMDJIGZMMAP-UHFFFAOYSA-N 0 3 239.340 0.788 20 0 BCADHN C[C@@H](C(=O)N(C)CCN(C)C)N1CC(C)C1 ZINC000518561131 384009203 /nfs/dbraw/zinc/00/92/03/384009203.db2.gz HBRBCFXVYZYTMZ-NSHDSACASA-N 0 3 227.352 0.347 20 0 BCADHN C[C@@H]1C[C@H](NCCC(C)(C)S(C)(=O)=O)CO1 ZINC000647217830 384048033 /nfs/dbraw/zinc/04/80/33/384048033.db2.gz HXGBLJNICJKTRY-ZJUUUORDSA-N 0 3 249.376 0.967 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](O)C(F)(F)F)N(C)C ZINC000332499396 384049551 /nfs/dbraw/zinc/04/95/51/384049551.db2.gz SVAARPWXZFLCSF-NKWVEPMBSA-N 0 3 242.241 0.366 20 0 BCADHN COCC(COC)N[C@H]1CO[C@H](C)C1 ZINC000401801779 384033991 /nfs/dbraw/zinc/03/39/91/384033991.db2.gz VBKUWHOZUUDSEI-RKDXNWHRSA-N 0 3 203.282 0.415 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@H]1CO[C@H](C)C1 ZINC000647217193 384036103 /nfs/dbraw/zinc/03/61/03/384036103.db2.gz DLFZJURVKVOHLI-DOLQZWNJSA-N 0 3 201.266 0.167 20 0 BCADHN CCOC[C@H](O)CN(C)CCc1ccccn1 ZINC000069276444 384040355 /nfs/dbraw/zinc/04/03/55/384040355.db2.gz MGWPNDPGHNATSG-CYBMUJFWSA-N 0 3 238.331 0.953 20 0 BCADHN C(NCC1CC1)c1nc([C@@H]2CCCN2)no1 ZINC000647156706 384041552 /nfs/dbraw/zinc/04/15/52/384041552.db2.gz NCCOOMOQYGAYNC-VIFPVBQESA-N 0 3 222.292 0.994 20 0 BCADHN OC[C@H]1C=C[C@@H](NC[C@@H](O)C(F)(F)F)C1 ZINC000564975714 384091738 /nfs/dbraw/zinc/09/17/38/384091738.db2.gz ODBXDKKDLKUGGF-XLPZGREQSA-N 0 3 225.210 0.436 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN(C)C[C@H](C)OC ZINC000310212998 384084881 /nfs/dbraw/zinc/08/48/81/384084881.db2.gz KVNXHDSYMPCTFY-SRVKXCTJSA-N 0 3 249.351 0.366 20 0 BCADHN COC[C@@H](O)CCN[C@@H](C)c1cnn(C)c1 ZINC000090949953 384086945 /nfs/dbraw/zinc/08/69/45/384086945.db2.gz VKQDRZIWYKKHSH-ONGXEEELSA-N 0 3 227.308 0.468 20 0 BCADHN COc1ccnc(C(=O)N2CCN[C@@H](C)[C@H]2C)c1 ZINC000648128004 384056653 /nfs/dbraw/zinc/05/66/53/384056653.db2.gz ZXZXVTFFSVBIDW-VHSXEESVSA-N 0 3 249.314 0.913 20 0 BCADHN CO[C@H]1CCCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000076245030 384059635 /nfs/dbraw/zinc/05/96/35/384059635.db2.gz YYBXJUWBSXFUKH-BDAKNGLRSA-N 0 3 249.332 0.057 20 0 BCADHN CN(C)C(=O)NCCN(C)CCC(C)(C)O ZINC000332510636 384067702 /nfs/dbraw/zinc/06/77/02/384067702.db2.gz XJCNVABSDFLBJP-UHFFFAOYSA-N 0 3 231.340 0.350 20 0 BCADHN CC(C)N(CC[C@@H]1CCCO1)CC(N)=O ZINC000188641735 384090867 /nfs/dbraw/zinc/09/08/67/384090867.db2.gz GAXIQCFHZKFGKO-JTQLQIEISA-N 0 3 214.309 0.751 20 0 BCADHN C[C@@H](NC[C@]1(O)CCOC1)c1cccnc1 ZINC000090848856 384079663 /nfs/dbraw/zinc/07/96/63/384079663.db2.gz OZMJTFLMZRBKQM-ZYHUDNBSSA-N 0 3 222.288 0.884 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCOC[C@H](C)C1 ZINC000371569902 384081444 /nfs/dbraw/zinc/08/14/44/384081444.db2.gz MMWVFWBRVWANDD-ZYHUDNBSSA-N 0 3 228.336 0.999 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCOC[C@H](C)C1 ZINC000371569899 384081518 /nfs/dbraw/zinc/08/15/18/384081518.db2.gz MMWVFWBRVWANDD-PWSUYJOCSA-N 0 3 228.336 0.999 20 0 BCADHN CO[C@]1(C)C[C@H](NC(=O)C2(N)CC2)C1(C)C ZINC000237270707 384081780 /nfs/dbraw/zinc/08/17/80/384081780.db2.gz KKNVCQVXSVUUPW-GZMMTYOYSA-N 0 3 226.320 0.798 20 0 BCADHN O=C1NCCCN1C1CCN(CCCO)CC1 ZINC000135436038 384082422 /nfs/dbraw/zinc/08/24/22/384082422.db2.gz ZECWBOOCRBYYIM-UHFFFAOYSA-N 0 3 241.335 0.249 20 0 BCADHN O=C(C(F)F)N1CCN2CCC[C@@H]2C1 ZINC000039055349 384101388 /nfs/dbraw/zinc/10/13/88/384101388.db2.gz KPKDNXPJWKNHSO-SSDOTTSWSA-N 0 3 204.220 0.558 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1cccnn1 ZINC000528374247 384095423 /nfs/dbraw/zinc/09/54/23/384095423.db2.gz URVJVTBKKMUDDS-JTQLQIEISA-N 0 3 234.303 0.643 20 0 BCADHN CC[C@H]1CN(C[C@@](C)(O)C(=O)OC)CCCO1 ZINC000304161083 384134734 /nfs/dbraw/zinc/13/47/34/384134734.db2.gz LRGMTJUOJBAWIU-CMPLNLGQSA-N 0 3 245.319 0.411 20 0 BCADHN C[C@H](NC[C@H]1CN(C)CCO1)c1cnn(C)c1 ZINC000091666992 384136076 /nfs/dbraw/zinc/13/60/76/384136076.db2.gz WNRKBJRFHDQBNS-JQWIXIFHSA-N 0 3 238.335 0.401 20 0 BCADHN C[C@H](CNc1nccn2cnnc12)N(C)C ZINC000070616531 384124959 /nfs/dbraw/zinc/12/49/59/384124959.db2.gz NBHMPZYPTAQTEZ-MRVPVSSYSA-N 0 3 220.280 0.486 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000152987735 384125614 /nfs/dbraw/zinc/12/56/14/384125614.db2.gz ZIHNJNGLGDQXCL-OPRDCNLKSA-N 0 3 212.293 0.361 20 0 BCADHN CN(C[C@@H]1CCC[C@H]1O)C(=O)[C@H]1NCC1(C)C ZINC000648166893 384147452 /nfs/dbraw/zinc/14/74/52/384147452.db2.gz BIAJWNPGPQTERA-HBNTYKKESA-N 0 3 240.347 0.604 20 0 BCADHN CC(C)(O)CN1CCN(Cc2cccnc2)CC1 ZINC000070939771 384141701 /nfs/dbraw/zinc/14/17/01/384141701.db2.gz KYTBBXSNFSVBDU-UHFFFAOYSA-N 0 3 249.358 0.970 20 0 BCADHN CC[C@H]1COCCN1C(=O)C1CCN(C)CC1 ZINC000336562739 384142805 /nfs/dbraw/zinc/14/28/05/384142805.db2.gz GUMUZPBAAPMNKF-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1ccc([O-])c(CN2CC[C@@H](O)C2)n1 ZINC000128077827 384144466 /nfs/dbraw/zinc/14/44/66/384144466.db2.gz OZVUXIIBROFZCH-SECBINFHSA-N 0 3 208.261 0.662 20 0 BCADHN Cc1ccc(O)c(CN2CC[C@@H](O)C2)n1 ZINC000128077827 384144475 /nfs/dbraw/zinc/14/44/75/384144475.db2.gz OZVUXIIBROFZCH-SECBINFHSA-N 0 3 208.261 0.662 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000128077827 384144479 /nfs/dbraw/zinc/14/44/79/384144479.db2.gz OZVUXIIBROFZCH-SECBINFHSA-N 0 3 208.261 0.662 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](O)C2)n1 ZINC000128077827 384144485 /nfs/dbraw/zinc/14/44/85/384144485.db2.gz OZVUXIIBROFZCH-SECBINFHSA-N 0 3 208.261 0.662 20 0 BCADHN CSc1ccc(CNC(CO)CO)s1 ZINC000308750152 384173417 /nfs/dbraw/zinc/17/34/17/384173417.db2.gz UDDYDQQPUFXFBK-UHFFFAOYSA-N 0 3 233.358 0.913 20 0 BCADHN CS[C@@H](CO)[C@@H](C)NCc1ccnn1C ZINC000080204129 384162588 /nfs/dbraw/zinc/16/25/88/384162588.db2.gz NEBVKVQNZUOMGU-SCZZXKLOSA-N 0 3 229.349 0.622 20 0 BCADHN Cc1ccc(N2CCCN(CCO)CC2)nn1 ZINC000071349756 384163303 /nfs/dbraw/zinc/16/33/03/384163303.db2.gz VUNVDPQCCZLXSB-UHFFFAOYSA-N 0 3 236.319 0.289 20 0 BCADHN CC(=O)c1cccc(NC(=O)[C@H]2C[C@@H](O)CN2)c1 ZINC000040858355 384168512 /nfs/dbraw/zinc/16/85/12/384168512.db2.gz YOJLVDAORKUNCE-VXGBXAGGSA-N 0 3 248.282 0.551 20 0 BCADHN O=C(N1CCC(=O)CC1)C12CCCN1CCC2 ZINC000336586274 384185182 /nfs/dbraw/zinc/18/51/82/384185182.db2.gz OLECSCLKONRZOS-UHFFFAOYSA-N 0 3 236.315 0.806 20 0 BCADHN CC[C@@H]1CCN1CCN1C(=O)NC(C)(C)C1=O ZINC000408381729 384180420 /nfs/dbraw/zinc/18/04/20/384180420.db2.gz NMJZDHJLTWKVAP-SECBINFHSA-N 0 3 239.319 0.801 20 0 BCADHN CCO[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643711160 384201774 /nfs/dbraw/zinc/20/17/74/384201774.db2.gz JSCVAOOLDKRDPP-RCWTZXSCSA-N 0 3 240.347 0.996 20 0 BCADHN COC(=O)[C@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000092643779 384186954 /nfs/dbraw/zinc/18/69/54/384186954.db2.gz ATAQHJNNJICEOM-VIFPVBQESA-N 0 3 223.276 0.795 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)c1cccc(F)c1 ZINC000036285325 384189871 /nfs/dbraw/zinc/18/98/71/384189871.db2.gz OHXPFHCZNXZEER-NSHDSACASA-N 0 3 238.262 0.544 20 0 BCADHN CC[C@@H](C)N1CCC[C@H](S(=O)(=O)NC)C1 ZINC000558607559 384193279 /nfs/dbraw/zinc/19/32/79/384193279.db2.gz ILMYLVICSPYEIK-ZJUUUORDSA-N 0 3 234.365 0.799 20 0 BCADHN C[C@@H](CCNCc1cncn1C)[S@](C)=O ZINC000132572319 384196748 /nfs/dbraw/zinc/19/67/48/384196748.db2.gz UFHRWANZGFKTQP-BJOHPYRUSA-N 0 3 229.349 0.667 20 0 BCADHN COCC[C@H](C)NC[C@@H](O)C(F)(F)F ZINC000081713086 384198168 /nfs/dbraw/zinc/19/81/68/384198168.db2.gz QIUDNPTYDIFKFU-NKWVEPMBSA-N 0 3 215.215 0.924 20 0 BCADHN CC(C)NS(=O)(=O)NCCN(C)C(C)C ZINC000408439699 384198892 /nfs/dbraw/zinc/19/88/92/384198892.db2.gz UMWUHESYYWZBDM-UHFFFAOYSA-N 0 3 237.369 0.159 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCOC[C@H]1C1CC1 ZINC000644160491 384230253 /nfs/dbraw/zinc/23/02/53/384230253.db2.gz RGNDTGNSUMCZKV-WDEREUQCSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1CSCCS1 ZINC000157637784 384236046 /nfs/dbraw/zinc/23/60/46/384236046.db2.gz ZTWGJGGIPKWYML-RNFRBKRXSA-N 0 3 220.363 0.298 20 0 BCADHN CCOCCN(CC)[C@@H](CC)C(N)=O ZINC000082537637 384237319 /nfs/dbraw/zinc/23/73/19/384237319.db2.gz GUEUEIAEFWOXSU-VIFPVBQESA-N 0 3 202.298 0.609 20 0 BCADHN CN(C(=O)C1=CCOCC1)[C@@H]1CCCN(C)C1 ZINC000336618124 384238488 /nfs/dbraw/zinc/23/84/88/384238488.db2.gz JPVGMPONVLWJKM-GFCCVEGCSA-N 0 3 238.331 0.886 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCc1ccco1 ZINC000081899345 384210662 /nfs/dbraw/zinc/21/06/62/384210662.db2.gz RCSAZJCNPUHSSU-SECBINFHSA-N 0 3 231.317 0.845 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCc1nccs1 ZINC000081901181 384210850 /nfs/dbraw/zinc/21/08/50/384210850.db2.gz VUFMRYFYDXMJGF-MRVPVSSYSA-N 0 3 248.373 0.708 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000158229020 384212480 /nfs/dbraw/zinc/21/24/80/384212480.db2.gz HAEMTRFGMOHFDS-WCQYABFASA-N 0 3 248.326 0.804 20 0 BCADHN COc1cc(CNC(CO)CO)ccc1C ZINC000278943059 384213294 /nfs/dbraw/zinc/21/32/94/384213294.db2.gz YCEIUTYDBGVLDS-UHFFFAOYSA-N 0 3 225.288 0.446 20 0 BCADHN CCNC(=O)CNCCCc1cnn(C)c1 ZINC000314672667 384217887 /nfs/dbraw/zinc/21/78/87/384217887.db2.gz JMGQFMKSNLXHNT-UHFFFAOYSA-N 0 3 224.308 0.078 20 0 BCADHN Cc1cc(NC(=O)[C@@H]2NCC2(C)C)cn(C)c1=O ZINC000644156379 384218237 /nfs/dbraw/zinc/21/82/37/384218237.db2.gz YMNKZSBGMNGBDO-JTQLQIEISA-N 0 3 249.314 0.630 20 0 BCADHN C([C@@H]1CCOC1)N1CCN(C2CC2)CC1 ZINC000336378504 384218920 /nfs/dbraw/zinc/21/89/20/384218920.db2.gz YZXZTRSVXFJRCV-NSHDSACASA-N 0 3 210.321 0.803 20 0 BCADHN C[C@H](O)CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000126925171 384220886 /nfs/dbraw/zinc/22/08/86/384220886.db2.gz DNLIPGDIJZOMBC-ZNSHCXBVSA-N 0 3 228.336 0.745 20 0 BCADHN CO[C@@H]1CCC[C@H]1CNC(=O)CNC1CC1 ZINC000644155718 384222535 /nfs/dbraw/zinc/22/25/35/384222535.db2.gz CQEWEZYMHCLYBC-GXSJLCMTSA-N 0 3 226.320 0.670 20 0 BCADHN CO[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1NCC1(C)C ZINC000644155854 384225059 /nfs/dbraw/zinc/22/50/59/384225059.db2.gz WHHWKYNUFRHQPW-AXFHLTTASA-N 0 3 240.347 0.916 20 0 BCADHN Cc1nnc(NC(=O)C2(N)CCCCC2)n1C ZINC000644158969 384225788 /nfs/dbraw/zinc/22/57/88/384225788.db2.gz GDYLONXJCLGNBB-UHFFFAOYSA-N 0 3 237.307 0.724 20 0 BCADHN C[C@@]1(CNC(=O)CN)CCCC[C@@H]1O ZINC000237475933 384227298 /nfs/dbraw/zinc/22/72/98/384227298.db2.gz SZYOKBRRALHJOH-WPRPVWTQSA-N 0 3 200.282 0.003 20 0 BCADHN C[C@H](CO)NCc1cnn2ccccc12 ZINC000082425420 384227613 /nfs/dbraw/zinc/22/76/13/384227613.db2.gz LIDCUAAKSDFFFI-SECBINFHSA-N 0 3 205.261 0.805 20 0 BCADHN CN(C)CCNc1ncnc2c1cnn2C ZINC000014205158 384227726 /nfs/dbraw/zinc/22/77/26/384227726.db2.gz XHTQTMXHCPVHQG-UHFFFAOYSA-N 0 3 220.280 0.337 20 0 BCADHN CC[C@@H](N)C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000569558822 384228882 /nfs/dbraw/zinc/22/88/82/384228882.db2.gz URYYUBQEKQYESQ-CHWSQXEVSA-N 0 3 247.342 0.897 20 0 BCADHN CCOCCNC(=O)[C@H](N)[C@H](C)CC ZINC000036230202 384248912 /nfs/dbraw/zinc/24/89/12/384248912.db2.gz WJUKWQFBTWDQKQ-RKDXNWHRSA-N 0 3 202.298 0.513 20 0 BCADHN CC[C@@](C)(CN[C@H](CO)COC)OC ZINC000319449819 384250339 /nfs/dbraw/zinc/25/03/39/384250339.db2.gz MYLOBQJTNKVRDV-ZJUUUORDSA-N 0 3 205.298 0.398 20 0 BCADHN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)[C@H](C)N ZINC000119232281 384250748 /nfs/dbraw/zinc/25/07/48/384250748.db2.gz HYNKPHZRCKHMQD-JFGNBEQYSA-N 0 3 236.315 0.962 20 0 BCADHN CC[C@](C)(CN[C@@H]1CCC(=O)N(C)C1=O)OC ZINC000319542168 384253486 /nfs/dbraw/zinc/25/34/86/384253486.db2.gz BISHQBNAIRFRGS-BXKDBHETSA-N 0 3 242.319 0.539 20 0 BCADHN CC(C)NC(=O)Cn1cc2c(n1)[C@@H](N)CCC2 ZINC000644167835 384256930 /nfs/dbraw/zinc/25/69/30/384256930.db2.gz CHJKTEHILPXURD-JTQLQIEISA-N 0 3 236.319 0.744 20 0 BCADHN CN1CCCN(C[C@H](O)C(F)(F)F)CC1 ZINC000082680067 384256932 /nfs/dbraw/zinc/25/69/32/384256932.db2.gz FARZQQNNUBVSKS-QMMMGPOBSA-N 0 3 226.242 0.547 20 0 BCADHN CC(=O)c1csc(C(=O)NCCN)c1 ZINC000158635125 384271537 /nfs/dbraw/zinc/27/15/37/384271537.db2.gz UXYKUFPJOLHEJG-UHFFFAOYSA-N 0 3 212.274 0.639 20 0 BCADHN C[C@H](CC(N)=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000135709167 384272185 /nfs/dbraw/zinc/27/21/85/384272185.db2.gz ZPAVFORZQAPNLU-LDYMZIIASA-N 0 3 240.278 0.713 20 0 BCADHN Cc1cnn(C)c1CN[C@H]1CO[C@@H](C)C1 ZINC000335426364 384272815 /nfs/dbraw/zinc/27/28/15/384272815.db2.gz UUNLCLVVWFAYHR-VHSXEESVSA-N 0 3 209.293 0.996 20 0 BCADHN CN(C)[C@H]1CN(C(=O)C2CC=CC2)C[C@@H]1O ZINC000560637255 384273136 /nfs/dbraw/zinc/27/31/36/384273136.db2.gz YUEQBIZDIQHXPQ-QWRGUYRKSA-N 0 3 224.304 0.086 20 0 BCADHN C[C@@H](CNC(=O)CN)[N@@H+](C)Cc1ccccc1 ZINC000237543119 384276260 /nfs/dbraw/zinc/27/62/60/384276260.db2.gz KFLZNSYHAZXXHT-NSHDSACASA-N 0 3 235.331 0.582 20 0 BCADHN C[C@@H](CNC(=O)CN)N(C)Cc1ccccc1 ZINC000237543119 384276266 /nfs/dbraw/zinc/27/62/66/384276266.db2.gz KFLZNSYHAZXXHT-NSHDSACASA-N 0 3 235.331 0.582 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)C ZINC000359587263 384276717 /nfs/dbraw/zinc/27/67/17/384276717.db2.gz GKVFPQMTUJLGJT-VHSXEESVSA-N 0 3 214.309 0.431 20 0 BCADHN CO[C@H](CN[C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000332160237 384303898 /nfs/dbraw/zinc/30/38/98/384303898.db2.gz QWQLNVNYPZFRBB-GHMZBOCLSA-N 0 3 247.360 0.578 20 0 BCADHN COc1ccc(CCNC(=O)CN)cc1OC ZINC000011956812 384304617 /nfs/dbraw/zinc/30/46/17/384304617.db2.gz ZUNGDIJOAINYJW-UHFFFAOYSA-N 0 3 238.287 0.321 20 0 BCADHN C[C@H]1C[C@@H](Nc2cncc(C(N)=O)n2)CCN1C ZINC000426901213 384304574 /nfs/dbraw/zinc/30/45/74/384304574.db2.gz PSOLUBOMSLSDHK-IUCAKERBSA-N 0 3 249.318 0.470 20 0 BCADHN O=C(NC[C@H]1CNCCO1)C1CCSCC1 ZINC000335515126 384305021 /nfs/dbraw/zinc/30/50/21/384305021.db2.gz HJNPBQCLQKGWPU-SNVBAGLBSA-N 0 3 244.360 0.234 20 0 BCADHN C[C@H](NCCOCCO)c1cncc(F)c1 ZINC000159165105 384306330 /nfs/dbraw/zinc/30/63/30/384306330.db2.gz ULYMBZCFDJGQOW-VIFPVBQESA-N 0 3 228.267 0.880 20 0 BCADHN CCO[C@@H]1C[C@H](NCC(N)=O)C12CCC2 ZINC000083684625 384322526 /nfs/dbraw/zinc/32/25/26/384322526.db2.gz BXWFMDWECVMKBW-DTWKUNHWSA-N 0 3 212.293 0.409 20 0 BCADHN C[C@H](N[C@@H]1CCCCNC1=O)[C@H]1CCCO1 ZINC000035735761 384315925 /nfs/dbraw/zinc/31/59/25/384315925.db2.gz VFFKWNCOVKIRPJ-HBNTYKKESA-N 0 3 226.320 0.812 20 0 BCADHN CNCC(=O)Nc1cc(C(N)=O)ccc1C ZINC000082276214 384317954 /nfs/dbraw/zinc/31/79/54/384317954.db2.gz LBPUDFWLTPGUQW-UHFFFAOYSA-N 0 3 221.260 0.252 20 0 BCADHN C[C@H](N[C@H]1CO[C@H](C)C1)C(=O)N(C)C ZINC000401946717 384318095 /nfs/dbraw/zinc/31/80/95/384318095.db2.gz RQQQJXVAJVKBCN-HRDYMLBCSA-N 0 3 200.282 0.230 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CO[C@H](C)C1 ZINC000401943085 384318280 /nfs/dbraw/zinc/31/82/80/384318280.db2.gz PQMNYMZKJLAAJX-BDAKNGLRSA-N 0 3 200.282 0.278 20 0 BCADHN CO[C@@H]1CN(CC[C@@H](C)O)C[C@H]1OC ZINC000300039396 384280290 /nfs/dbraw/zinc/28/02/90/384280290.db2.gz GXJJZXVEEVNSIB-OPRDCNLKSA-N 0 3 203.282 0.103 20 0 BCADHN CCO[C@H]1C[C@@H](NCC(N)=O)C12CCC2 ZINC000083684628 384321317 /nfs/dbraw/zinc/32/13/17/384321317.db2.gz BXWFMDWECVMKBW-BDAKNGLRSA-N 0 3 212.293 0.409 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2(N)CCCCC2)CO1 ZINC000335442012 384282846 /nfs/dbraw/zinc/28/28/46/384282846.db2.gz XAWAAYNIGXQUBR-NXEZZACHSA-N 0 3 226.320 0.942 20 0 BCADHN CO[C@@H]1CN(C[C@H](O)C(C)C)C[C@H]1OC ZINC000300043493 384284470 /nfs/dbraw/zinc/28/44/70/384284470.db2.gz XHOCAZPNKZPICA-HBNTYKKESA-N 0 3 217.309 0.349 20 0 BCADHN C[C@H]1C[C@H](NCC(C)(C)S(C)(=O)=O)CO1 ZINC000401919613 384287115 /nfs/dbraw/zinc/28/71/15/384287115.db2.gz ZIBNLWXRBDELRM-IUCAKERBSA-N 0 3 235.349 0.577 20 0 BCADHN CCN(C)C(=O)CN[C@H](COC)C(C)C ZINC000083399174 384295606 /nfs/dbraw/zinc/29/56/06/384295606.db2.gz MITZNYKISXYVLV-SNVBAGLBSA-N 0 3 216.325 0.725 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000443322860 384297525 /nfs/dbraw/zinc/29/75/25/384297525.db2.gz AAVAPLGRWGBPTE-SRVKXCTJSA-N 0 3 242.363 0.946 20 0 BCADHN Cc1ccc(F)cc1CNC[C@@H](O)CO ZINC000083347375 384298093 /nfs/dbraw/zinc/29/80/93/384298093.db2.gz XAMFQWCBQYMJGC-LLVKDONJSA-N 0 3 213.252 0.577 20 0 BCADHN NC1(C(=O)NCCc2nccs2)CC1 ZINC000083836065 384335022 /nfs/dbraw/zinc/33/50/22/384335022.db2.gz NBTBIJKOMSBCBJ-UHFFFAOYSA-N 0 3 211.290 0.293 20 0 BCADHN CN(Cc1ccccn1)C(=O)C1(N)CC1 ZINC000083834302 384336408 /nfs/dbraw/zinc/33/64/08/384336408.db2.gz VPCZQWDKIYEVSA-UHFFFAOYSA-N 0 3 205.261 0.531 20 0 BCADHN C[C@H](NCCn1ccnc1)c1cnn(C)c1 ZINC000044500284 384337976 /nfs/dbraw/zinc/33/79/76/384337976.db2.gz CFCSFOMMVGCXJI-JTQLQIEISA-N 0 3 219.292 0.967 20 0 BCADHN C[C@H]1Cc2ccccc2CN1C(=O)CN ZINC000083888116 384340537 /nfs/dbraw/zinc/34/05/37/384340537.db2.gz WMCPPSBLEXDUGG-VIFPVBQESA-N 0 3 204.273 0.919 20 0 BCADHN C[C@@H]1Cc2ccccc2CN1C(=O)CN ZINC000083888115 384342123 /nfs/dbraw/zinc/34/21/23/384342123.db2.gz WMCPPSBLEXDUGG-SECBINFHSA-N 0 3 204.273 0.919 20 0 BCADHN CC(C)C[C@@H]1COCCN1C(=O)CN ZINC000083940843 384343880 /nfs/dbraw/zinc/34/38/80/384343880.db2.gz RTEFQKQLDJXIAF-SECBINFHSA-N 0 3 200.282 0.219 20 0 BCADHN CC(C)[C@H](NCc1cn(C)nn1)C(C)(C)O ZINC000330364752 384373744 /nfs/dbraw/zinc/37/37/44/384373744.db2.gz VZLHOJWVZKYWBV-JTQLQIEISA-N 0 3 226.324 0.700 20 0 BCADHN C[C@@H](CC(=O)N(C)C)NCc1cncn1C ZINC000330364315 384373779 /nfs/dbraw/zinc/37/37/79/384373779.db2.gz KBLBEZUCWZTLRU-VIFPVBQESA-N 0 3 224.308 0.377 20 0 BCADHN C[C@H](N)C(=O)N(C)CCc1nccs1 ZINC000083930751 384348909 /nfs/dbraw/zinc/34/89/09/384348909.db2.gz KYVMVTSYCIDVCY-ZETCQYMHSA-N 0 3 213.306 0.491 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@H]([C@@H](C)O)C1 ZINC000533473879 384350387 /nfs/dbraw/zinc/35/03/87/384350387.db2.gz FNRHBQYKDRYQBU-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@H](CCS(C)(=O)=O)N[C@@H](C)c1cn[nH]c1 ZINC000330364007 384363890 /nfs/dbraw/zinc/36/38/90/384363890.db2.gz BWWFXRHYEMCNIN-BDAKNGLRSA-N 0 3 245.348 0.884 20 0 BCADHN CC[C@H](N[C@]1(C)CCO[C@H]1C)C(N)=O ZINC000300368473 384365760 /nfs/dbraw/zinc/36/57/60/384365760.db2.gz PDJJDPASXRNZFR-OYNCUSHFSA-N 0 3 200.282 0.407 20 0 BCADHN COC(C)(C)CN(C)[C@@H](C)C(=O)N(C)C ZINC000533482955 384366499 /nfs/dbraw/zinc/36/64/99/384366499.db2.gz PFKBEJJGZUWVMS-VIFPVBQESA-N 0 3 216.325 0.820 20 0 BCADHN COC[C@H](O)CNCc1scnc1C ZINC000084149441 384370191 /nfs/dbraw/zinc/37/01/91/384370191.db2.gz LEZHIKWJBUNPBH-MRVPVSSYSA-N 0 3 216.306 0.548 20 0 BCADHN Cc1c(CNC(=O)NCCN(C)C)cnn1C ZINC000133950617 384323166 /nfs/dbraw/zinc/32/31/66/384323166.db2.gz ZNNLNSWVSWRBKR-UHFFFAOYSA-N 0 3 239.323 0.089 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CCC[C@]1(C)CO ZINC000330364812 384372788 /nfs/dbraw/zinc/37/27/88/384372788.db2.gz XSUAHFDWCABPPI-CMPLNLGQSA-N 0 3 228.336 0.605 20 0 BCADHN COC(=O)[C@@H]1CCN(Cc2ccnc(N)c2)C1 ZINC000095022231 384326194 /nfs/dbraw/zinc/32/61/94/384326194.db2.gz BYGMMPINBZTJCZ-SNVBAGLBSA-N 0 3 235.287 0.659 20 0 BCADHN C[C@@H]1OCC[C@@]1(C)NCC(=O)NC1CC1 ZINC000235436921 384397805 /nfs/dbraw/zinc/39/78/05/384397805.db2.gz ULAMKTKZLJVNFG-GZMMTYOYSA-N 0 3 212.293 0.422 20 0 BCADHN C[C@H](NCC(=O)NC1CC1)[C@@H]1CCCO1 ZINC000035247575 384406771 /nfs/dbraw/zinc/40/67/71/384406771.db2.gz ZKRFFDDGJARWBL-WPRPVWTQSA-N 0 3 212.293 0.422 20 0 BCADHN Cn1c2ccc(NC(=O)C(C)(C)N)cc2oc1=O ZINC000077426737 384407669 /nfs/dbraw/zinc/40/76/69/384407669.db2.gz VVSNIKQMUCYSSC-UHFFFAOYSA-N 0 3 249.270 0.807 20 0 BCADHN C[C@@H](NCc1cccc(C(N)=O)c1)[C@H](C)CO ZINC000077420659 384407702 /nfs/dbraw/zinc/40/77/02/384407702.db2.gz FEIQJLCBUNDNCQ-NXEZZACHSA-N 0 3 236.315 0.892 20 0 BCADHN Cc1nc(CCN(CCO)CCCO)cs1 ZINC000121284903 384409347 /nfs/dbraw/zinc/40/93/47/384409347.db2.gz YVEDOBJQUIRAHH-UHFFFAOYSA-N 0 3 244.360 0.671 20 0 BCADHN C[C@@H]1C[C@H](CNC(=O)C2(N)CCC2)CCO1 ZINC000335636822 384411172 /nfs/dbraw/zinc/41/11/72/384411172.db2.gz WIWFUGINKBBXMH-NXEZZACHSA-N 0 3 226.320 0.799 20 0 BCADHN CN(C[C@@H]1CCCO1)C(=O)[C@H](N)C1CCC1 ZINC000331652753 384414914 /nfs/dbraw/zinc/41/49/14/384414914.db2.gz WWVBXSXEUAPUAU-WDEREUQCSA-N 0 3 226.320 0.751 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000248928884 384427103 /nfs/dbraw/zinc/42/71/03/384427103.db2.gz ZNDIAPHYROYFEF-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN O[C@@H](CN[C@H]1CCOC1)COc1ccccc1 ZINC000095015520 384420010 /nfs/dbraw/zinc/42/00/10/384420010.db2.gz OYWJEVYLCXWGAL-RYUDHWBXSA-N 0 3 237.299 0.805 20 0 BCADHN CNC(=O)NC(=O)CN1CCC[C@@H](C)CC1 ZINC000063309262 384380250 /nfs/dbraw/zinc/38/02/50/384380250.db2.gz AWHYKEJNGVONOQ-SECBINFHSA-N 0 3 227.308 0.564 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H]1CCC[C@H]1O ZINC000084225359 384380880 /nfs/dbraw/zinc/38/08/80/384380880.db2.gz KAZKBZMIJHWTQV-GXSJLCMTSA-N 0 3 209.293 0.969 20 0 BCADHN C[C@H](NCCCOCCO)c1cnn(C)c1 ZINC000134728376 384382196 /nfs/dbraw/zinc/38/21/96/384382196.db2.gz UTZHVDHKUGSHCF-JTQLQIEISA-N 0 3 227.308 0.470 20 0 BCADHN C[C@H](N[C@H]1COC(C)(C)C1)C(=O)N(C)C ZINC000335610906 384384038 /nfs/dbraw/zinc/38/40/38/384384038.db2.gz LZHHFVQWEAJQIB-DTWKUNHWSA-N 0 3 214.309 0.620 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@H](OC)C1 ZINC000219564872 384386230 /nfs/dbraw/zinc/38/62/30/384386230.db2.gz PKSIYLLAKFNFMA-BDAKNGLRSA-N 0 3 200.282 0.361 20 0 BCADHN Cn1nncc1CNCC1(CO)CCCC1 ZINC000229604197 384386941 /nfs/dbraw/zinc/38/69/41/384386941.db2.gz JPKGZEBZTUPWEC-UHFFFAOYSA-N 0 3 224.308 0.457 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccc(N(C)C)nc1 ZINC000261579643 384388355 /nfs/dbraw/zinc/38/83/55/384388355.db2.gz MLMOBGZIVDYXRY-MRVPVSSYSA-N 0 3 222.292 0.111 20 0 BCADHN CC[C@@H](F)CN1CCC[C@@](O)(C(N)=O)C1 ZINC000408049208 384444943 /nfs/dbraw/zinc/44/49/43/384444943.db2.gz WWNINUWRRVIZPV-SCZZXKLOSA-N 0 3 218.272 0.047 20 0 BCADHN Cc1ccncc1CNCCCS(C)(=O)=O ZINC000135454708 384445261 /nfs/dbraw/zinc/44/52/61/384445261.db2.gz FAKXULCJOGYDCE-UHFFFAOYSA-N 0 3 242.344 0.914 20 0 BCADHN C[C@@H](CN[C@H]1COC(C)(C)C1)S(C)(=O)=O ZINC000521372171 384427851 /nfs/dbraw/zinc/42/78/51/384427851.db2.gz ZRKKVDPJIRALRV-DTWKUNHWSA-N 0 3 235.349 0.577 20 0 BCADHN CCCCNC(=O)[C@H](C)N(CC)CCCO ZINC000160727523 384431344 /nfs/dbraw/zinc/43/13/44/384431344.db2.gz ALOIXMSOPUGFGM-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN CCOCCNC(=O)[C@H]1CCCCN1 ZINC000036230150 384438228 /nfs/dbraw/zinc/43/82/28/384438228.db2.gz MBZHCDQWMYLUFD-SECBINFHSA-N 0 3 200.282 0.281 20 0 BCADHN CO[C@H](C)CCNC(=O)/C=C\CN(C)C ZINC000493394263 533064390 /nfs/dbraw/zinc/06/43/90/533064390.db2.gz WHCPBQRHONJWCA-WWQCOOJYSA-N 0 3 214.309 0.645 20 0 BCADHN C[C@H](CO)NCc1ccnn1-c1ccccn1 ZINC000647174661 384463145 /nfs/dbraw/zinc/46/31/45/384463145.db2.gz IIDKJKICDFCBLA-SNVBAGLBSA-N 0 3 232.287 0.738 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@@H](O)c1ccccc1 ZINC000135806343 384464721 /nfs/dbraw/zinc/46/47/21/384464721.db2.gz LXDVSTPUJLBCDC-GXSJLCMTSA-N 0 3 222.288 0.574 20 0 BCADHN C[C@@H](O)CCNCc1ccc(C(N)=O)cc1 ZINC000078781769 384465699 /nfs/dbraw/zinc/46/56/99/384465699.db2.gz HDYSXHLOZNANGH-SECBINFHSA-N 0 3 222.288 0.646 20 0 BCADHN O=C(CO)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000136167351 384485422 /nfs/dbraw/zinc/48/54/22/384485422.db2.gz VYPFXDNXECIIAF-ZDUSSCGKSA-N 0 3 248.326 0.932 20 0 BCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1CN(C)C ZINC000066948818 384481553 /nfs/dbraw/zinc/48/15/53/384481553.db2.gz CWEULOBKAUYFAR-LLVKDONJSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@H](CC(=O)N(C)C)NCc1ccn(C)c1 ZINC000122455622 384482798 /nfs/dbraw/zinc/48/27/98/384482798.db2.gz QWHSAENCEDXFPF-SNVBAGLBSA-N 0 3 223.320 0.982 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC[C@H](O)CC1 ZINC000335759404 384497044 /nfs/dbraw/zinc/49/70/44/384497044.db2.gz ALHARVRBZFXKFG-ZJUUUORDSA-N 0 3 214.309 0.310 20 0 BCADHN NC(=O)c1cnccc1NCCN1CC=CCC1 ZINC000530536241 384507050 /nfs/dbraw/zinc/50/70/50/384507050.db2.gz SZIFJJSOUGNOST-UHFFFAOYSA-N 0 3 246.314 0.276 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000122761401 384507938 /nfs/dbraw/zinc/50/79/38/384507938.db2.gz LUORVTMGBDJZKN-FPQWWODTSA-N 0 3 216.284 0.788 20 0 BCADHN Cc1csc(S(=O)(=O)[N-]C[C@@H](C)[NH3+])c1 ZINC000647273880 384508206 /nfs/dbraw/zinc/50/82/06/384508206.db2.gz NFJQPOIZLBLVHA-SSDOTTSWSA-N 0 3 234.346 0.682 20 0 BCADHN Cc1csc(S(=O)(=O)[N-]C[C@H](C)[NH3+])c1 ZINC000647273882 384508290 /nfs/dbraw/zinc/50/82/90/384508290.db2.gz NFJQPOIZLBLVHA-ZETCQYMHSA-N 0 3 234.346 0.682 20 0 BCADHN CO[C@H]1CCCC[C@H]1NCC(=O)N(C)C ZINC000037254408 384490094 /nfs/dbraw/zinc/49/00/94/384490094.db2.gz YXICRLAYZSXOIT-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H](CCO)CNCc1ccc(CO)o1 ZINC000085127940 384493255 /nfs/dbraw/zinc/49/32/55/384493255.db2.gz DSBRDFILCTXLFG-SECBINFHSA-N 0 3 213.277 0.880 20 0 BCADHN C[C@@H]1C[C@@H](NCC(=O)N2CCOCC2)CS1 ZINC000303566630 384514448 /nfs/dbraw/zinc/51/44/48/384514448.db2.gz XRCAWTDXUXDNDS-NXEZZACHSA-N 0 3 244.360 0.329 20 0 BCADHN COc1ncncc1CN[C@@H](C)C(C)(C)O ZINC000647178127 384514584 /nfs/dbraw/zinc/51/45/84/384514584.db2.gz BCZQORKAJCYGNF-QMMMGPOBSA-N 0 3 225.292 0.734 20 0 BCADHN COC(CN1CCCO[C@@H](C)C1)OC ZINC000085351474 384517693 /nfs/dbraw/zinc/51/76/93/384517693.db2.gz FYRMQHUZNCLBSH-VIFPVBQESA-N 0 3 203.282 0.716 20 0 BCADHN CC(C)[C@H](C(=O)NCC(C)(C)O)N(C)C ZINC000150864365 384518268 /nfs/dbraw/zinc/51/82/68/384518268.db2.gz BHNQKDWELROXEH-SECBINFHSA-N 0 3 216.325 0.460 20 0 BCADHN COC(=O)CCN1CCC[C@@H](OC)C1 ZINC000170819093 384519732 /nfs/dbraw/zinc/51/97/32/384519732.db2.gz YOFIJWRGZKOKKH-SECBINFHSA-N 0 3 201.266 0.660 20 0 BCADHN COC[C@@H](NC(=O)C1(N)CCOCC1)C1CC1 ZINC000353753546 384536780 /nfs/dbraw/zinc/53/67/80/384536780.db2.gz KQWOUPJTLFSANH-SNVBAGLBSA-N 0 3 242.319 0.036 20 0 BCADHN C[C@H](CN[C@@H]1CCn2ccnc21)N(C)C ZINC000294096171 384522747 /nfs/dbraw/zinc/52/27/47/384522747.db2.gz MJTIBMMIFWVYFD-NXEZZACHSA-N 0 3 208.309 0.868 20 0 BCADHN C[C@@H](CN[C@@H]1CCn2ccnc21)N(C)C ZINC000294096176 384523568 /nfs/dbraw/zinc/52/35/68/384523568.db2.gz MJTIBMMIFWVYFD-VHSXEESVSA-N 0 3 208.309 0.868 20 0 BCADHN Cc1cc(CN)cc(NC(=O)C2(C(N)=O)CC2)c1 ZINC000643843137 384523903 /nfs/dbraw/zinc/52/39/03/384523903.db2.gz KZFOSTPPNOIREJ-UHFFFAOYSA-N 0 3 247.298 0.658 20 0 BCADHN CN(CCNC(=O)Cc1cncn1C)C1CC1 ZINC000569605094 384524230 /nfs/dbraw/zinc/52/42/30/384524230.db2.gz DCVWULIIXYSZDC-UHFFFAOYSA-N 0 3 236.319 0.173 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CCC[C@H]1CN(C)C ZINC000080045829 384526297 /nfs/dbraw/zinc/52/62/97/384526297.db2.gz WQSUURQAMPQIDL-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN CCN(CCO)CCNC(=O)c1ccccn1 ZINC000183939253 384543221 /nfs/dbraw/zinc/54/32/21/384543221.db2.gz GCMQPTDJQVUKMW-UHFFFAOYSA-N 0 3 237.303 0.126 20 0 BCADHN CC[C@@H](C)NC(=O)C[C@@H]1CSCCN1 ZINC000085612412 384544538 /nfs/dbraw/zinc/54/45/38/384544538.db2.gz NTHGOCOIINIMAS-RKDXNWHRSA-N 0 3 216.350 0.996 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)CC[C@H](C)O ZINC000308261467 384544622 /nfs/dbraw/zinc/54/46/22/384544622.db2.gz NMKMLCSPSZPSGI-ZDMBXUJBSA-N 0 3 207.339 0.456 20 0 BCADHN CC(C)(C)CNC(=O)C[C@@H]1CNCCO1 ZINC000085619693 384545675 /nfs/dbraw/zinc/54/56/75/384545675.db2.gz WDCWTKDBWJVXHF-SECBINFHSA-N 0 3 214.309 0.527 20 0 BCADHN CCC(CC)NC(=O)C[C@@H]1CNCCO1 ZINC000085618737 384546627 /nfs/dbraw/zinc/54/66/27/384546627.db2.gz UWBIEAJCDFCBPS-SNVBAGLBSA-N 0 3 214.309 0.670 20 0 BCADHN CCC1CCC(NC(=O)CN)(C(=O)OC)CC1 ZINC000490951602 384546839 /nfs/dbraw/zinc/54/68/39/384546839.db2.gz AAQRGERFSWAMJP-UHFFFAOYSA-N 0 3 242.319 0.573 20 0 BCADHN CC(C)CN(C)C(=O)C[C@@H]1CNCCO1 ZINC000085619106 384547177 /nfs/dbraw/zinc/54/71/77/384547177.db2.gz KVFYBVHJELIYSX-SNVBAGLBSA-N 0 3 214.309 0.479 20 0 BCADHN CC[C@H](C)CNC(=O)C[C@@H]1CNCCO1 ZINC000085620079 384547833 /nfs/dbraw/zinc/54/78/33/384547833.db2.gz ZRIWUJPVRZSHNW-VHSXEESVSA-N 0 3 214.309 0.527 20 0 BCADHN CC(C)N(C)C(=O)C[C@H]1CSCCN1 ZINC000085612651 384548541 /nfs/dbraw/zinc/54/85/41/384548541.db2.gz BESULRGXCWZDQQ-VIFPVBQESA-N 0 3 216.350 0.948 20 0 BCADHN CCN(C)C(=O)C[C@H]1CSCCN1 ZINC000085612878 384548615 /nfs/dbraw/zinc/54/86/15/384548615.db2.gz WTABLKPCEFCRAL-QMMMGPOBSA-N 0 3 202.323 0.560 20 0 BCADHN Cc1ocnc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000262818466 384550251 /nfs/dbraw/zinc/55/02/51/384550251.db2.gz SDPSJMFWPPNRDN-HTQZYQBOSA-N 0 3 223.276 0.805 20 0 BCADHN CSC[C@H](C)N[C@H]1CCCS(=O)(=O)C1 ZINC000162273104 384554824 /nfs/dbraw/zinc/55/48/24/384554824.db2.gz XNLAMGWJFPRJHM-IUCAKERBSA-N 0 3 237.390 0.905 20 0 BCADHN CC(C)COCCN[C@H](CO)[C@H]1CCCO1 ZINC000309715592 384556435 /nfs/dbraw/zinc/55/64/35/384556435.db2.gz YQEDPYNNNCBZSK-VXGBXAGGSA-N 0 3 231.336 0.789 20 0 BCADHN CCN(CCNC(=O)[C@@H]1CCC(=O)C1)C1CC1 ZINC000516869141 384558086 /nfs/dbraw/zinc/55/80/86/384558086.db2.gz CCBJTMFFBWNNQA-SNVBAGLBSA-N 0 3 238.331 0.956 20 0 BCADHN Cc1noc(Cn2cc([C@@H](N)C(C)C)nn2)n1 ZINC000305951240 384558713 /nfs/dbraw/zinc/55/87/13/384558713.db2.gz URRMOMQMCNHMGK-JTQLQIEISA-N 0 3 236.279 0.674 20 0 BCADHN C[C@@H](c1ccccn1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000528607426 384561499 /nfs/dbraw/zinc/56/14/99/384561499.db2.gz WXRZZDUFTZMUJI-SRVKXCTJSA-N 0 3 236.315 0.675 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247982628 384561762 /nfs/dbraw/zinc/56/17/62/384561762.db2.gz NCNLMOFWYVHODY-JFGNBEQYSA-N 0 3 226.320 0.487 20 0 BCADHN CCOCC[C@@H](O)CNC[C@@H](O)C(F)(F)F ZINC000647521966 384539903 /nfs/dbraw/zinc/53/99/03/384539903.db2.gz QCEQYZWGJABDOV-HTQZYQBOSA-N 0 3 245.241 0.287 20 0 BCADHN C[C@H](CO)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000303092479 384539925 /nfs/dbraw/zinc/53/99/25/384539925.db2.gz GMZKQFWAHZVKDE-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN COCC[C@H](C)N[C@@H]1CCS(=O)(=O)[C@H]1C ZINC000353852947 384541307 /nfs/dbraw/zinc/54/13/07/384541307.db2.gz DVIPKSYWTPKMKW-LPEHRKFASA-N 0 3 235.349 0.577 20 0 BCADHN COC[C@@H](C)NCc1ccc(C(N)=O)cc1 ZINC000020042050 384569745 /nfs/dbraw/zinc/56/97/45/384569745.db2.gz SGSBULAYPAQXMG-SECBINFHSA-N 0 3 222.288 0.910 20 0 BCADHN CN(C)CCNC(=O)Nc1ccncc1F ZINC000184197456 384580516 /nfs/dbraw/zinc/58/05/16/384580516.db2.gz PKUDHBUIQIZYOV-UHFFFAOYSA-N 0 3 226.255 0.904 20 0 BCADHN O=C1OC[C@@H]2CN([C@H]3CCCC[C@@H]3O)CCN12 ZINC000363472561 384586265 /nfs/dbraw/zinc/58/62/65/384586265.db2.gz RNVDEGPJFXMJSE-DCAQKATOSA-N 0 3 240.303 0.426 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CC(=O)N(C)C2)CS1 ZINC000307415260 384588545 /nfs/dbraw/zinc/58/85/45/384588545.db2.gz IMLNFSPUJKGMLU-HLTSFMKQSA-N 0 3 214.334 0.701 20 0 BCADHN CC[C@@H](NC[C@@H](C)O)[C@@H](O)C(F)(F)F ZINC000647529422 384602947 /nfs/dbraw/zinc/60/29/47/384602947.db2.gz BFRVXBDPGPUQAL-FSDSQADBSA-N 0 3 215.215 0.659 20 0 BCADHN COC[C@@H](C)NC(=O)N(C)CCN1CCCC1 ZINC000103246772 384603781 /nfs/dbraw/zinc/60/37/81/384603781.db2.gz HSSAZTWQWFLOPV-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN C[C@H](CNCCC1(CO)CC1)S(C)(=O)=O ZINC000647530230 384607905 /nfs/dbraw/zinc/60/79/05/384607905.db2.gz CMWOYVPMPMUKMX-SECBINFHSA-N 0 3 235.349 0.172 20 0 BCADHN C[C@H](NCc1ncnn1C)[C@H]1CCCOC1 ZINC000309790944 384611532 /nfs/dbraw/zinc/61/15/32/384611532.db2.gz PEXRQDYDKGGZQN-UWVGGRQHSA-N 0 3 224.308 0.720 20 0 BCADHN CC(C)N1C[C@@H](N[C@@H]2CO[C@H](C)C2)CC1=O ZINC000647185104 384611883 /nfs/dbraw/zinc/61/18/83/384611883.db2.gz ONUJFNVVEREKAY-VWYCJHECSA-N 0 3 226.320 0.763 20 0 BCADHN CC(C(=O)NC[C@]1(C)CCCO1)S(C)(=O)=O ZINC000124060944 384613002 /nfs/dbraw/zinc/61/30/02/384613002.db2.gz GYSFCSIKMAFUFJ-WPRPVWTQSA-N 0 3 249.332 0.105 20 0 BCADHN COCC[C@@](C)(O)CNCc1n[nH]cc1C ZINC000289532881 384613293 /nfs/dbraw/zinc/61/32/93/384613293.db2.gz OSBAXQOEJGMGNB-LLVKDONJSA-N 0 3 227.308 0.595 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1C ZINC000427468519 384616224 /nfs/dbraw/zinc/61/62/24/384616224.db2.gz DNPFVNQMDZMYMD-ZJUUUORDSA-N 0 3 241.335 0.241 20 0 BCADHN COc1ncncc1CN[C@H](C)[C@@H](C)CO ZINC000647185840 384616535 /nfs/dbraw/zinc/61/65/35/384616535.db2.gz SCFGTPSNXQYNHQ-DTWKUNHWSA-N 0 3 225.292 0.592 20 0 BCADHN OCCO[C@H]1CCCN(CCOCC2CC2)C1 ZINC000172816096 384617902 /nfs/dbraw/zinc/61/79/02/384617902.db2.gz WMPYVZBRCVZTII-ZDUSSCGKSA-N 0 3 243.347 0.886 20 0 BCADHN COCC(=O)N(C)C[C@@H]1CCCN1C ZINC000086190310 384619150 /nfs/dbraw/zinc/61/91/50/384619150.db2.gz IZBUTARTLJRHOO-VIFPVBQESA-N 0 3 200.282 0.185 20 0 BCADHN CC[C@H](CCO)CNC(=O)CN1CC[C@@H](C)C1 ZINC000561291331 384629602 /nfs/dbraw/zinc/62/96/02/384629602.db2.gz MRXCDECQERTNLV-VXGBXAGGSA-N 0 3 242.363 0.853 20 0 BCADHN C[C@H](CO)N(C)C(=O)NC[C@H]1CCCN1C ZINC000338632043 384594704 /nfs/dbraw/zinc/59/47/04/384594704.db2.gz RUGDJDLUBLWRCQ-NXEZZACHSA-N 0 3 229.324 0.103 20 0 BCADHN COC(=O)[C@H](NC(=O)[C@@H](C)N)c1ccccc1 ZINC000050512355 384632098 /nfs/dbraw/zinc/63/20/98/384632098.db2.gz JTZMMAGHJSNYNZ-PSASIEDQSA-N 0 3 236.271 0.364 20 0 BCADHN CC[C@@H](NC[C@@H](O)CN(C)C)c1cnn(C)c1 ZINC000154248096 384598029 /nfs/dbraw/zinc/59/80/29/384598029.db2.gz SATAKMOHDQYRBV-VXGBXAGGSA-N 0 3 240.351 0.383 20 0 BCADHN Cc1[nH]nc(C(=O)NCCN(C)C)c1C ZINC000082303736 384663145 /nfs/dbraw/zinc/66/31/45/384663145.db2.gz LPZSGZWPLZLMBF-UHFFFAOYSA-N 0 3 210.281 0.318 20 0 BCADHN Cc1cnccc1C(=O)NCCN(C)C ZINC000082303108 384663662 /nfs/dbraw/zinc/66/36/62/384663662.db2.gz ORHKWQVGICHBRA-UHFFFAOYSA-N 0 3 207.277 0.681 20 0 BCADHN Cn1cncc1CNCC1([S@](C)=O)CCC1 ZINC000309851907 384669255 /nfs/dbraw/zinc/66/92/55/384669255.db2.gz JFAYHMPJJHKFJL-INIZCTEOSA-N 0 3 241.360 0.811 20 0 BCADHN C[C@H]1C[C@H](N(C)S(=O)(=O)N(C)C)CCN1C ZINC000173276413 384669756 /nfs/dbraw/zinc/66/97/56/384669756.db2.gz AZELBXDDJCCPQI-VHSXEESVSA-N 0 3 249.380 0.207 20 0 BCADHN Cc1nnccc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000533576663 384671478 /nfs/dbraw/zinc/67/14/78/384671478.db2.gz SFHGIQKHQOMKLU-ONGXEEELSA-N 0 3 248.330 0.998 20 0 BCADHN Cc1nnccc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000533576662 384672452 /nfs/dbraw/zinc/67/24/52/384672452.db2.gz SFHGIQKHQOMKLU-MWLCHTKSSA-N 0 3 248.330 0.998 20 0 BCADHN COC[C@H](CO)NCCC(C)(C)C(=O)OC ZINC000309861857 384672700 /nfs/dbraw/zinc/67/27/00/384672700.db2.gz MWPXKCFHGXJJNU-VIFPVBQESA-N 0 3 233.308 0.173 20 0 BCADHN Cc1nnc(CN[C@@H]2CCC[C@H]2CCO)[nH]1 ZINC000309861154 384673903 /nfs/dbraw/zinc/67/39/03/384673903.db2.gz MOHDXKGAHPDDPJ-VHSXEESVSA-N 0 3 224.308 0.754 20 0 BCADHN Cc1nnc(CN[C@H]2CCC[C@H]2CCO)[nH]1 ZINC000309861151 384674292 /nfs/dbraw/zinc/67/42/92/384674292.db2.gz MOHDXKGAHPDDPJ-UWVGGRQHSA-N 0 3 224.308 0.754 20 0 BCADHN CN(CCCn1ccnc1)CC(=O)NC1CC1 ZINC000124353123 384635627 /nfs/dbraw/zinc/63/56/27/384635627.db2.gz SGLVXGANPUZSCN-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN CC(C)CC[C@H](O)CNC[C@@H](O)C(F)F ZINC000647534966 384637005 /nfs/dbraw/zinc/63/70/05/384637005.db2.gz ZJVNYXIOTRXUDU-DTWKUNHWSA-N 0 3 225.279 0.999 20 0 BCADHN CC(C)CC[C@H](O)CNC[C@H](O)C(F)F ZINC000647534967 384637436 /nfs/dbraw/zinc/63/74/36/384637436.db2.gz ZJVNYXIOTRXUDU-IUCAKERBSA-N 0 3 225.279 0.999 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCc1cccnc1 ZINC000081900510 384638880 /nfs/dbraw/zinc/63/88/80/384638880.db2.gz YEMIXZAHTSXGJN-JTQLQIEISA-N 0 3 242.344 0.647 20 0 BCADHN C[C@H](Cn1cccn1)N[C@@H](C)CS(C)(=O)=O ZINC000081900415 384640398 /nfs/dbraw/zinc/64/03/98/384640398.db2.gz SJOJPSRKSIYRMF-ZJUUUORDSA-N 0 3 245.348 0.294 20 0 BCADHN COC(=O)c1ccc(CN[C@@H](C)CO)[nH]1 ZINC000086329635 384640724 /nfs/dbraw/zinc/64/07/24/384640724.db2.gz ALCDOVHUMCCFDT-ZETCQYMHSA-N 0 3 212.249 0.272 20 0 BCADHN CCC[C@H](C)C(=O)NCCN[C@@H]1CCOC1 ZINC000309819506 384641157 /nfs/dbraw/zinc/64/11/57/384641157.db2.gz DIGKWTSFQHDAPS-WDEREUQCSA-N 0 3 228.336 0.917 20 0 BCADHN CC[C@@H](O)CNCc1snnc1C ZINC000308341351 384644624 /nfs/dbraw/zinc/64/46/24/384644624.db2.gz RCEXWBXTZCRONM-SSDOTTSWSA-N 0 3 201.295 0.707 20 0 BCADHN CN(C)Cc1ccc(C(=O)N2CCNCC2)cc1 ZINC000082262501 384654109 /nfs/dbraw/zinc/65/41/09/384654109.db2.gz XJWIBNGVIUFADP-UHFFFAOYSA-N 0 3 247.342 0.794 20 0 BCADHN CNS(=O)(=O)CCCN1CCC[C@H](C)C1 ZINC000104094954 384659793 /nfs/dbraw/zinc/65/97/93/384659793.db2.gz MSKHVMQCAJURQI-JTQLQIEISA-N 0 3 234.365 0.658 20 0 BCADHN Cc1c(CNC[C@@H](C)CCO)cnn1C ZINC000086552176 384661532 /nfs/dbraw/zinc/66/15/32/384661532.db2.gz BVNNOTHNNXVAPC-VIFPVBQESA-N 0 3 211.309 0.837 20 0 BCADHN CCOCCNCc1cc(C(N)=O)cs1 ZINC000086573621 384662663 /nfs/dbraw/zinc/66/26/63/384662663.db2.gz PTCXPLSXHHKONU-UHFFFAOYSA-N 0 3 228.317 0.973 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@@H]2CCCCN2)no1 ZINC000125514851 384723867 /nfs/dbraw/zinc/72/38/67/384723867.db2.gz CDVAOQOTZKGSOQ-VIFPVBQESA-N 0 3 238.291 0.479 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCC1(O)CCC1 ZINC000309928267 384724805 /nfs/dbraw/zinc/72/48/05/384724805.db2.gz WQDQXBMRGLFCBB-SNVBAGLBSA-N 0 3 249.376 0.704 20 0 BCADHN Cc1csc(=O)n1CCN(C)CC[C@@H](C)O ZINC000173825892 384725542 /nfs/dbraw/zinc/72/55/42/384725542.db2.gz DBRLKQYSXMLSBM-SNVBAGLBSA-N 0 3 244.360 0.921 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CCCN(C)C2=O)CO1 ZINC000647189185 384679453 /nfs/dbraw/zinc/67/94/53/384679453.db2.gz HPWSOBIPHGRUIA-KXUCPTDWSA-N 0 3 212.293 0.374 20 0 BCADHN Cn1ncc2c1CCC[C@H]2N[C@@H]1CCC(=O)NC1 ZINC000104339601 384681021 /nfs/dbraw/zinc/68/10/21/384681021.db2.gz VZAVMILBFQLJGL-MWLCHTKSSA-N 0 3 248.330 0.666 20 0 BCADHN CCO[C@H]1C[C@@H](O)C12CCN(CCCO)CC2 ZINC000304321277 384681796 /nfs/dbraw/zinc/68/17/96/384681796.db2.gz ITWZECBSMFDIIN-NEPJUHHUSA-N 0 3 243.347 0.621 20 0 BCADHN CC(C)OC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000497139839 384683443 /nfs/dbraw/zinc/68/34/43/384683443.db2.gz ADWQOPVHNWJVEB-GHMZBOCLSA-N 0 3 244.335 0.918 20 0 BCADHN CCO[C@H]1C[C@H](O)C12CCN(CCCO)CC2 ZINC000304321281 384683554 /nfs/dbraw/zinc/68/35/54/384683554.db2.gz ITWZECBSMFDIIN-RYUDHWBXSA-N 0 3 243.347 0.621 20 0 BCADHN CO[C@@H]1C[C@H](N[C@H]2CCN(C)C2=O)C1(C)C ZINC000300357944 384683944 /nfs/dbraw/zinc/68/39/44/384683944.db2.gz XGKXICTYEAREAP-LPEHRKFASA-N 0 3 226.320 0.620 20 0 BCADHN CCCN(CCO)Cc1cnc(N)s1 ZINC000086765966 384684585 /nfs/dbraw/zinc/68/45/85/384684585.db2.gz AAQKLWTVXHNHEX-UHFFFAOYSA-N 0 3 215.322 0.930 20 0 BCADHN Cc1ccc2c(c1)[C@@H](NC(=O)CN)CO2 ZINC000309646153 384686286 /nfs/dbraw/zinc/68/62/86/384686286.db2.gz WATNWVDFEYIFQX-VIFPVBQESA-N 0 3 206.245 0.503 20 0 BCADHN C[C@@H](O)[C@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC000162833430 384692167 /nfs/dbraw/zinc/69/21/67/384692167.db2.gz IFOFSCMTJZCXMN-MFKMUULPSA-N 0 3 248.326 0.988 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CCC[C@H]1OC ZINC000050373030 384693999 /nfs/dbraw/zinc/69/39/99/384693999.db2.gz IQSIDFZETSREGO-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)[C@@H](N)CC(C)C ZINC000236865368 384695165 /nfs/dbraw/zinc/69/51/65/384695165.db2.gz SISVHECSOWITTH-VWYCJHECSA-N 0 3 230.352 0.883 20 0 BCADHN C[C@@H](N[C@@H]1CO[C@@H](C)C1)C(=O)N(C)C ZINC000647190291 384695380 /nfs/dbraw/zinc/69/53/80/384695380.db2.gz RQQQJXVAJVKBCN-YIZRAAEISA-N 0 3 200.282 0.230 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000307441395 384697025 /nfs/dbraw/zinc/69/70/25/384697025.db2.gz NIKJVYJGHJCTPU-RBXMUDONSA-N 0 3 200.282 0.406 20 0 BCADHN CCS(=O)(=O)CCCN[C@H]1CO[C@@H](C)C1 ZINC000402366289 384727020 /nfs/dbraw/zinc/72/70/20/384727020.db2.gz WZRSYVDXVBRXMZ-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CC(C)N(C)CC(=O)NCc1cccnn1 ZINC000331266788 384700131 /nfs/dbraw/zinc/70/01/31/384700131.db2.gz CRYWEXCYNOTNRH-UHFFFAOYSA-N 0 3 222.292 0.433 20 0 BCADHN CO[C@H](C)CN1CCN(C[C@@H](C)O)CC1 ZINC000487947701 533084617 /nfs/dbraw/zinc/08/46/17/533084617.db2.gz MUKFQFWWWPLAIT-GHMZBOCLSA-N 0 3 216.325 0.020 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2cccnc2)C1 ZINC000150107945 384709011 /nfs/dbraw/zinc/70/90/11/384709011.db2.gz BLWOFFKBDFNKSS-GFCCVEGCSA-N 0 3 219.288 0.792 20 0 BCADHN CC(=O)c1ccc(C(=O)NCC2C[NH2+]C2)cc1[O-] ZINC000646901961 384710626 /nfs/dbraw/zinc/71/06/26/384710626.db2.gz WARLNGOASINTBY-UHFFFAOYSA-N 0 3 248.282 0.544 20 0 BCADHN Cc1nn(C)cc1CNC[C@H](O)C1CC1 ZINC000126041185 384727643 /nfs/dbraw/zinc/72/76/43/384727643.db2.gz QLTGDDQFZQQMTJ-NSHDSACASA-N 0 3 209.293 0.589 20 0 BCADHN CSC1(CN2CCNC(=O)CC2)CC1 ZINC000335409171 384720955 /nfs/dbraw/zinc/72/09/55/384720955.db2.gz IXVJECLUALDOBJ-UHFFFAOYSA-N 0 3 214.334 0.704 20 0 BCADHN CSC[C@](C)(O)CNCc1cnc(C)nc1 ZINC000309932434 384721635 /nfs/dbraw/zinc/72/16/35/384721635.db2.gz YPBFISPSKWCTTE-LLVKDONJSA-N 0 3 241.360 0.989 20 0 BCADHN CO[C@@H](C)Cn1cc([C@H](N)C(C)C)nn1 ZINC000300997995 384773109 /nfs/dbraw/zinc/77/31/09/384773109.db2.gz WQCXUHHLLZHIQU-WCBMZHEXSA-N 0 3 212.297 0.969 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](N)C2CCC2)CCO1 ZINC000335034137 384774942 /nfs/dbraw/zinc/77/49/42/384774942.db2.gz IQJHSJOXKUMMAD-WDEREUQCSA-N 0 3 226.320 0.751 20 0 BCADHN CC[C@@H](CCO)CNCc1ccnn1C ZINC000087362965 384775318 /nfs/dbraw/zinc/77/53/18/384775318.db2.gz XLGKWIRSKGDHDL-JTQLQIEISA-N 0 3 211.309 0.918 20 0 BCADHN CSC1(CNCCNS(C)(=O)=O)CC1 ZINC000308521960 384775860 /nfs/dbraw/zinc/77/58/60/384775860.db2.gz IBAVRDSQOUJYBD-UHFFFAOYSA-N 0 3 238.378 0.021 20 0 BCADHN CS(=O)(=O)[C@H]1CCC[C@H](NC2(CO)CC2)C1 ZINC000126436515 384777655 /nfs/dbraw/zinc/77/76/55/384777655.db2.gz FSTDFFROMPHMAC-UWVGGRQHSA-N 0 3 247.360 0.457 20 0 BCADHN COc1cc(N(C)CCN(C)C)ncn1 ZINC000126187586 384777756 /nfs/dbraw/zinc/77/77/56/384777756.db2.gz ZFPARMFSLXQZDW-UHFFFAOYSA-N 0 3 210.281 0.483 20 0 BCADHN CN(C)[C@H]1CN(Cc2ccccn2)C[C@@H]1O ZINC000643885220 384728530 /nfs/dbraw/zinc/72/85/30/384728530.db2.gz NTSFUSLVJHKZQW-RYUDHWBXSA-N 0 3 221.304 0.188 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)N(C)Cc2cc[nH]n2)C1 ZINC000335047568 384779010 /nfs/dbraw/zinc/77/90/10/384779010.db2.gz WNKKAKLNFJSLGE-GXSJLCMTSA-N 0 3 236.319 0.756 20 0 BCADHN CCS(=O)(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000307072862 384735156 /nfs/dbraw/zinc/73/51/56/384735156.db2.gz ZEHXOCCWWURIKV-BDAKNGLRSA-N 0 3 220.338 0.361 20 0 BCADHN COc1ccc(C(=O)NC[C@H](C)C[NH3+])c([O-])c1 ZINC000054140038 384735225 /nfs/dbraw/zinc/73/52/25/384735225.db2.gz JWPMDZVNYWMALI-MRVPVSSYSA-N 0 3 238.287 0.725 20 0 BCADHN CCc1cccc(NC(=O)C(=O)NC2CNC2)c1 ZINC000556988045 384735948 /nfs/dbraw/zinc/73/59/48/384735948.db2.gz TXNASIUAZDQBBF-UHFFFAOYSA-N 0 3 247.298 0.276 20 0 BCADHN CCCCN1CCC(S(=O)(=O)NC)CC1 ZINC000363629449 384737108 /nfs/dbraw/zinc/73/71/08/384737108.db2.gz YRBMGLVMEWTHRK-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN C[C@H](CCS(C)(=O)=O)N[C@H]1CO[C@H](C)C1 ZINC000647192728 384738262 /nfs/dbraw/zinc/73/82/62/384738262.db2.gz VPHDOMRKKZNQDJ-OPRDCNLKSA-N 0 3 235.349 0.577 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)no1 ZINC000083118304 384740851 /nfs/dbraw/zinc/74/08/51/384740851.db2.gz IGWOOHYXUTYWRT-HTQZYQBOSA-N 0 3 223.276 0.805 20 0 BCADHN CCS[C@H]1CCC[C@@H]1NCC(=O)NC(N)=O ZINC000300388070 384742468 /nfs/dbraw/zinc/74/24/68/384742468.db2.gz NQDRHNNTPOBVIA-YUMQZZPRSA-N 0 3 245.348 0.445 20 0 BCADHN CCN(C)CCNCc1cc(C)n(C)n1 ZINC000300957213 384744858 /nfs/dbraw/zinc/74/48/58/384744858.db2.gz UXJVAKZKRFRFHJ-UHFFFAOYSA-N 0 3 210.325 0.770 20 0 BCADHN CC[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@H]1O ZINC000536370829 384747831 /nfs/dbraw/zinc/74/78/31/384747831.db2.gz SNJLBCWPDTWRDB-JHJVBQTASA-N 0 3 243.347 0.885 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000309968330 384748436 /nfs/dbraw/zinc/74/84/36/384748436.db2.gz OIDRPJMMRSTTAQ-IVZWLZJFSA-N 0 3 249.376 0.965 20 0 BCADHN COCC(C)(C)CNCC(=O)N(C)C ZINC000308488642 384748815 /nfs/dbraw/zinc/74/88/15/384748815.db2.gz PKPKVRQUPSULJL-UHFFFAOYSA-N 0 3 202.298 0.337 20 0 BCADHN COC[C@H](CNCc1cnc(C)nc1)OC ZINC000309972967 384751577 /nfs/dbraw/zinc/75/15/77/384751577.db2.gz QNPCDQXPPUXHPB-NSHDSACASA-N 0 3 225.292 0.536 20 0 BCADHN COC[C@@H](CNCc1cnc(C)nc1)OC ZINC000309972966 384752100 /nfs/dbraw/zinc/75/21/00/384752100.db2.gz QNPCDQXPPUXHPB-LLVKDONJSA-N 0 3 225.292 0.536 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCCc1cn[nH]c1 ZINC000309978137 384758216 /nfs/dbraw/zinc/75/82/16/384758216.db2.gz UVSKWMOOWGYVTR-VIFPVBQESA-N 0 3 245.348 0.365 20 0 BCADHN C[C@@H](CNC(=O)CN)Oc1ccc(F)cc1 ZINC000083354520 384761614 /nfs/dbraw/zinc/76/16/14/384761614.db2.gz FPVLMDFGEOTZFU-QMMMGPOBSA-N 0 3 226.251 0.668 20 0 BCADHN Cc1nn(C)cc1CNCCc1cnn(C)c1 ZINC000125976491 384762153 /nfs/dbraw/zinc/76/21/53/384762153.db2.gz GMMKJIFCZWGNMA-UHFFFAOYSA-N 0 3 233.319 0.794 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@@H]2CCCNC2=O)C1(C)C ZINC000309984333 384764872 /nfs/dbraw/zinc/76/48/72/384764872.db2.gz XQGRXALCEBVMPX-OPRDCNLKSA-N 0 3 226.320 0.668 20 0 BCADHN COc1ccc(CCNC(=O)C2(N)CC2)cc1 ZINC000083360951 384766323 /nfs/dbraw/zinc/76/63/23/384766323.db2.gz VSHUJMODHVZACS-UHFFFAOYSA-N 0 3 234.299 0.845 20 0 BCADHN CN(C)CCSCc1nnnn1C ZINC000336666460 384769027 /nfs/dbraw/zinc/76/90/27/384769027.db2.gz YQJKKEZUDWDBOM-UHFFFAOYSA-N 0 3 201.299 0.005 20 0 BCADHN CCO[C@H]1C[C@@H](N[C@@H]2COC[C@H]2O)C1(C)C ZINC000323379440 384770097 /nfs/dbraw/zinc/77/00/97/384770097.db2.gz GSDVXXGGMQWBBM-DBIOUOCHSA-N 0 3 229.320 0.539 20 0 BCADHN CC[C@](C)(NCCC(C)(C)O)C(N)=O ZINC000308505920 384771039 /nfs/dbraw/zinc/77/10/39/384771039.db2.gz YXTVFYWJQLWJAP-JTQLQIEISA-N 0 3 202.298 0.391 20 0 BCADHN CCN(CCOCCO)C[C@H]1CCCO1 ZINC000042469953 384815708 /nfs/dbraw/zinc/81/57/08/384815708.db2.gz ULMHEBMCDPIUJX-LLVKDONJSA-N 0 3 217.309 0.496 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@H]1CC[C@@H](O)C1 ZINC000233826965 384815986 /nfs/dbraw/zinc/81/59/86/384815986.db2.gz NUYGVKVAJSQMFP-GARJFASQSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1cnn(C)c1 ZINC000084063710 384837258 /nfs/dbraw/zinc/83/72/58/384837258.db2.gz FSXHCMJBXVHVRV-KOLCDFICSA-N 0 3 236.319 0.692 20 0 BCADHN COC(=O)C(C)(C)CN[C@H]1CCN(C)C1=O ZINC000151817227 384817672 /nfs/dbraw/zinc/81/76/72/384817672.db2.gz OOYNVTPBHCNKCW-QMMMGPOBSA-N 0 3 228.292 0.006 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@H](CO)CC(F)F ZINC000308572185 384822018 /nfs/dbraw/zinc/82/20/18/384822018.db2.gz CISIVJGMLWHPQI-FXQIFTODSA-N 0 3 209.236 0.770 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2NCC2(C)C)CO1 ZINC000648205111 384837579 /nfs/dbraw/zinc/83/75/79/384837579.db2.gz TUSWRCCUFOAQHG-IWSPIJDZSA-N 0 3 212.293 0.278 20 0 BCADHN CO[C@H](C)CN[C@@H](CO)[C@@H]1CCCO1 ZINC000308584281 384829831 /nfs/dbraw/zinc/82/98/31/384829831.db2.gz HSOHSRLOAPLNLL-UTLUCORTSA-N 0 3 203.282 0.151 20 0 BCADHN C[C@@H](NCc1ccn(C)n1)[C@H]1CCOC1 ZINC000127058669 384832882 /nfs/dbraw/zinc/83/28/82/384832882.db2.gz URSDSJWPGHZJAW-ZJUUUORDSA-N 0 3 209.293 0.935 20 0 BCADHN CNS(=O)(=O)CCNCC1(SC)CC1 ZINC000308529736 384784753 /nfs/dbraw/zinc/78/47/53/384784753.db2.gz JWHAUVSYQRSCSI-UHFFFAOYSA-N 0 3 238.378 0.021 20 0 BCADHN COC[C@H](N[C@H]1CCCNC1=O)C1CC1 ZINC000087480058 384798090 /nfs/dbraw/zinc/79/80/90/384798090.db2.gz OQIJEVGRABSDOU-UWVGGRQHSA-N 0 3 212.293 0.280 20 0 BCADHN CC[C@H](C[C@@H](C)CO)NCc1cn(C)nn1 ZINC000310033645 384800093 /nfs/dbraw/zinc/80/00/93/384800093.db2.gz SBJXROQWOJSCCL-NXEZZACHSA-N 0 3 226.324 0.702 20 0 BCADHN C[C@@H](O)CCCNC(=O)CN1CCC(C)(C)C1 ZINC000518212805 384801484 /nfs/dbraw/zinc/80/14/84/384801484.db2.gz HFLJLXBFDJCJRS-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1c(CN[C@H]2C[C@@H](O)C2(C)C)cnn1C ZINC000163437045 384805950 /nfs/dbraw/zinc/80/59/50/384805950.db2.gz CDGAJMPDAQGVLQ-WDEREUQCSA-N 0 3 223.320 0.978 20 0 BCADHN CCNCc1cn(CCCc2cncn2C)nn1 ZINC000314828130 384808159 /nfs/dbraw/zinc/80/81/59/384808159.db2.gz ZFZLFNAEKGDZGM-UHFFFAOYSA-N 0 3 248.334 0.754 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)N2CCOCC2)C1 ZINC000644299382 384809978 /nfs/dbraw/zinc/80/99/78/384809978.db2.gz KSASSOPFWMFGIA-QWRGUYRKSA-N 0 3 239.319 0.075 20 0 BCADHN C[C@H](CN[C@H]1CO[C@H](C)C1)S(C)(=O)=O ZINC000647197010 384811013 /nfs/dbraw/zinc/81/10/13/384811013.db2.gz XRIIMAPLISGVCT-IWSPIJDZSA-N 0 3 221.322 0.187 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NCCCCCO ZINC000448174623 384870023 /nfs/dbraw/zinc/87/00/23/384870023.db2.gz RSPSTTCMEVQMOW-NSHDSACASA-N 0 3 243.351 0.542 20 0 BCADHN COC[C@H](O)CCNCc1ccncc1 ZINC000127475612 384871186 /nfs/dbraw/zinc/87/11/86/384871186.db2.gz BOTSRYMPDASUNX-LLVKDONJSA-N 0 3 210.277 0.569 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1ccc[n+]([O-])c1 ZINC000186739337 384873213 /nfs/dbraw/zinc/87/32/13/384873213.db2.gz GKHYDBOWTZUWGQ-UHFFFAOYSA-N 0 3 249.314 0.486 20 0 BCADHN CCSCCN[C@H]1CCCN(C)C1=O ZINC000308624933 384873150 /nfs/dbraw/zinc/87/31/50/384873150.db2.gz VMVRKTKRHMZLPN-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN C[C@H](CNCc1ccn(C)n1)N(C)C1CC1 ZINC000163904520 384873649 /nfs/dbraw/zinc/87/36/49/384873649.db2.gz RFBROLYTLBLNHH-SNVBAGLBSA-N 0 3 222.336 0.992 20 0 BCADHN C[C@@H](O)CN(C)CCn1cc(Cl)cn1 ZINC000312906530 384882762 /nfs/dbraw/zinc/88/27/62/384882762.db2.gz YWDDIIZPXGBBGZ-MRVPVSSYSA-N 0 3 217.700 0.849 20 0 BCADHN CC(C)[C@@H]1C[C@@H](NC(=O)CN)CCO1 ZINC000648162168 384882812 /nfs/dbraw/zinc/88/28/12/384882812.db2.gz MNQDIMDUBQUTQL-IUCAKERBSA-N 0 3 200.282 0.265 20 0 BCADHN O=C1CCN(CN[C@@H]2C[C@H]3OCCC[C@H]23)CC1 ZINC000364034196 384882971 /nfs/dbraw/zinc/88/29/71/384882971.db2.gz ZTMMEFSLRSKGFH-JHJVBQTASA-N 0 3 238.331 0.766 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CNCCC2(F)F)CO1 ZINC000648204691 384838941 /nfs/dbraw/zinc/83/89/41/384838941.db2.gz FWKWWTIZIHGYCC-HLTSFMKQSA-N 0 3 248.273 0.525 20 0 BCADHN CC[C@@H](N)C(=O)NCCCO[C@@H]1CCOC1 ZINC000119609157 384842292 /nfs/dbraw/zinc/84/22/92/384842292.db2.gz YNKIELLDMBANAU-NXEZZACHSA-N 0 3 230.308 0.036 20 0 BCADHN Cc1noc(CCNC(=O)[C@H](N)C(C)C)n1 ZINC000225410185 384844900 /nfs/dbraw/zinc/84/49/00/384844900.db2.gz XYJDVAMQQLKYQY-SECBINFHSA-N 0 3 226.280 0.020 20 0 BCADHN C[C@H](NC(=O)[C@H]1C[C@H](F)CN1)[C@H]1CCCCO1 ZINC000364036196 384888312 /nfs/dbraw/zinc/88/83/12/384888312.db2.gz JCWVMKDTKFECCQ-UKKRHICBSA-N 0 3 244.310 0.760 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)O ZINC000427619603 384846089 /nfs/dbraw/zinc/84/60/89/384846089.db2.gz BFMOZWGLIJTYGH-WPRPVWTQSA-N 0 3 226.320 0.356 20 0 BCADHN C[C@H](NC(=O)CO)[C@@H](c1ccccc1)N(C)C ZINC000186497209 384848183 /nfs/dbraw/zinc/84/81/83/384848183.db2.gz YCELOMDNGMEZHD-GWCFXTLKSA-N 0 3 236.315 0.786 20 0 BCADHN CC(C)N(CCO)CCN1CCCC1=O ZINC000177034681 384850374 /nfs/dbraw/zinc/85/03/74/384850374.db2.gz BNFSCFRYBUVPMY-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN CO[C@@H]1CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000151891840 384860139 /nfs/dbraw/zinc/86/01/39/384860139.db2.gz POXIXPWETUDLLW-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN CO[C@@H]1C[C@@H](NC(=O)[C@@H](C)N)C1(C)C ZINC000225547855 384864248 /nfs/dbraw/zinc/86/42/48/384864248.db2.gz JPDUUEBYKOZYRS-BWZBUEFSSA-N 0 3 200.282 0.263 20 0 BCADHN CC(C)N(C[C@@H](C)O)C[C@@H]1CN(C)C(=O)O1 ZINC000497207242 384865907 /nfs/dbraw/zinc/86/59/07/384865907.db2.gz GQPKBNWWBWPEFK-ZJUUUORDSA-N 0 3 230.308 0.528 20 0 BCADHN CO[C@@H]1C[C@@H](NC(=O)[C@H](C)N)C1(C)C ZINC000225546975 384866261 /nfs/dbraw/zinc/86/62/61/384866261.db2.gz JPDUUEBYKOZYRS-XLPZGREQSA-N 0 3 200.282 0.263 20 0 BCADHN CN1C[C@H](CN2CCC[C@H](CO)CC2)OC1=O ZINC000497205081 384869506 /nfs/dbraw/zinc/86/95/06/384869506.db2.gz ZVTOFHWQFFEDSX-WDEREUQCSA-N 0 3 242.319 0.531 20 0 BCADHN Cc1ccc(O)c(CN[C@@H](C)C[S@@](C)=O)n1 ZINC000164259014 384949652 /nfs/dbraw/zinc/94/96/52/384949652.db2.gz DMXKZBXDKXRJOS-FVMDXXJSSA-N 0 3 242.344 0.952 20 0 BCADHN Cc1ccc([O-])c(C[NH2+][C@@H](C)C[S@@](C)=O)n1 ZINC000164259014 384949659 /nfs/dbraw/zinc/94/96/59/384949659.db2.gz DMXKZBXDKXRJOS-FVMDXXJSSA-N 0 3 242.344 0.952 20 0 BCADHN C[C@H](CN[C@H]1CCCN(C)C1)S(C)(=O)=O ZINC000644547765 384952014 /nfs/dbraw/zinc/95/20/14/384952014.db2.gz PFNDBQDOZZOCSS-ZJUUUORDSA-N 0 3 234.365 0.103 20 0 BCADHN CCN(CCCO)CCN1CCOCC1 ZINC000128499361 384952883 /nfs/dbraw/zinc/95/28/83/384952883.db2.gz QNOPVRMNQLJFJL-UHFFFAOYSA-N 0 3 216.325 0.023 20 0 BCADHN Cc1nc(CCN(C)CCO)cs1 ZINC000118996298 384955399 /nfs/dbraw/zinc/95/53/99/384955399.db2.gz GSNVIIBXGCKGOG-UHFFFAOYSA-N 0 3 200.307 0.918 20 0 BCADHN COCC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177155467 384891224 /nfs/dbraw/zinc/89/12/24/384891224.db2.gz CIXDUJLOBKBZDJ-RKDXNWHRSA-N 0 3 212.293 0.374 20 0 BCADHN Cn1cc(CCN2CCC[C@H](O)C2)cn1 ZINC000112664357 384894147 /nfs/dbraw/zinc/89/41/47/384894147.db2.gz LPSHJSVGBCYVRA-NSHDSACASA-N 0 3 209.293 0.419 20 0 BCADHN CC[N@H+](C)CCNC(=O)/C=C\c1cncc([O-])c1 ZINC000255613255 384895211 /nfs/dbraw/zinc/89/52/11/384895211.db2.gz GKJUVXHJMGTSFR-PLNGDYQASA-N 0 3 249.314 0.868 20 0 BCADHN CC[N@@H+](C)CCNC(=O)/C=C\c1cncc([O-])c1 ZINC000255613255 384895218 /nfs/dbraw/zinc/89/52/18/384895218.db2.gz GKJUVXHJMGTSFR-PLNGDYQASA-N 0 3 249.314 0.868 20 0 BCADHN O=S(=O)([N-]C[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000647201485 384898182 /nfs/dbraw/zinc/89/81/82/384898182.db2.gz PKOTZBJGNUUWCZ-VIFPVBQESA-N 0 3 244.316 0.700 20 0 BCADHN CO[C@H](C)CN(CCO)[C@@H]1CCO[C@@H]1C ZINC000361567264 384900038 /nfs/dbraw/zinc/90/00/38/384900038.db2.gz UASIDLACMHVXHA-GMTAPVOTSA-N 0 3 217.309 0.493 20 0 BCADHN C[C@@H](O)CCCN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000497307476 384958812 /nfs/dbraw/zinc/95/88/12/384958812.db2.gz VOPKDUKNRMLTJL-GHMZBOCLSA-N 0 3 244.335 0.920 20 0 BCADHN CCCNC(=O)CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000156610598 384907853 /nfs/dbraw/zinc/90/78/53/384907853.db2.gz UCZWCRZQKHIMHN-AXFHLTTASA-N 0 3 226.320 0.215 20 0 BCADHN COC(=O)N1CC(NCc2[nH]ncc2C)C1 ZINC000289620296 384916324 /nfs/dbraw/zinc/91/63/24/384916324.db2.gz WFTOKZQIQNTTKZ-UHFFFAOYSA-N 0 3 224.264 0.258 20 0 BCADHN CO[C@H](C)CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366529397 384919445 /nfs/dbraw/zinc/91/94/45/384919445.db2.gz QBFORRFZCQKIQP-VGMNWLOBSA-N 0 3 218.272 0.228 20 0 BCADHN CC[C@H]1C[C@H](NC(=O)COC2CNC2)CCO1 ZINC000564942497 384926268 /nfs/dbraw/zinc/92/62/68/384926268.db2.gz KYRUZUJMDZIUCO-ZJUUUORDSA-N 0 3 242.319 0.049 20 0 BCADHN CN1C[C@H](CN[C@@H]2CCO[C@@H]2C2CC2)OC1=O ZINC000497268458 384929919 /nfs/dbraw/zinc/92/99/19/384929919.db2.gz IJOAHFAVUOKGJC-HBNTYKKESA-N 0 3 240.303 0.594 20 0 BCADHN CN1C[C@H](CN[C@H]2CCO[C@@H]2C2CC2)OC1=O ZINC000497268457 384931583 /nfs/dbraw/zinc/93/15/83/384931583.db2.gz IJOAHFAVUOKGJC-GARJFASQSA-N 0 3 240.303 0.594 20 0 BCADHN CC[C@H](O)CNCc1cccc(C(=O)NC)c1 ZINC000644519072 384932751 /nfs/dbraw/zinc/93/27/51/384932751.db2.gz NYNYFXCVQGODIA-LBPRGKRZSA-N 0 3 236.315 0.907 20 0 BCADHN C[C@@H](O)CNCc1cccc(C(=O)N(C)C)c1 ZINC000644519162 384933955 /nfs/dbraw/zinc/93/39/55/384933955.db2.gz CRYXDKZPDOYSHD-SNVBAGLBSA-N 0 3 236.315 0.859 20 0 BCADHN COC[C@@H](CCO)N[C@H]1CCCc2n[nH]cc21 ZINC000367615139 384934253 /nfs/dbraw/zinc/93/42/53/384934253.db2.gz KAKFWODXTHZLNA-KOLCDFICSA-N 0 3 239.319 0.774 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)[C@H](N)C2CCC2)C1 ZINC000331899682 384936507 /nfs/dbraw/zinc/93/65/07/384936507.db2.gz BMOBTEQPZCITSR-HBNTYKKESA-N 0 3 226.320 0.798 20 0 BCADHN CN1CCNC[C@@H]1CNCc1ccc(F)cc1 ZINC000258818587 384939245 /nfs/dbraw/zinc/93/92/45/384939245.db2.gz CEFDCDQDTMZKOZ-CYBMUJFWSA-N 0 3 237.322 0.819 20 0 BCADHN C[C@H](O)CNCC(=O)N1CCCc2ccccc21 ZINC000644527653 384940951 /nfs/dbraw/zinc/94/09/51/384940951.db2.gz CXACAFXELUJWTD-NSHDSACASA-N 0 3 248.326 0.936 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H](C)Cn1ccnc1 ZINC000081900424 384944964 /nfs/dbraw/zinc/94/49/64/384944964.db2.gz QOHDJQZERTWBHR-VHSXEESVSA-N 0 3 245.348 0.294 20 0 BCADHN Fc1cccc(CNC[C@H]2COCCN2)c1 ZINC000258835145 384947174 /nfs/dbraw/zinc/94/71/74/384947174.db2.gz DMOISZUKQZIBNL-LBPRGKRZSA-N 0 3 224.279 0.904 20 0 BCADHN CS[C@@H]1CN(C(C)=O)C[C@H]1N(C)C ZINC000306456674 384968147 /nfs/dbraw/zinc/96/81/47/384968147.db2.gz TTXGHYLIGUBWDE-RKDXNWHRSA-N 0 3 202.323 0.510 20 0 BCADHN C[C@H](O)CN[C@]1(CO)CCc2ccccc21 ZINC000369048572 384968166 /nfs/dbraw/zinc/96/81/66/384968166.db2.gz PKZVRHWPAGXZLP-GWCFXTLKSA-N 0 3 221.300 0.791 20 0 BCADHN COC[C@@H](CO)NC1CC(OC(C)(C)C)C1 ZINC000309971855 384968855 /nfs/dbraw/zinc/96/88/55/384968855.db2.gz PWVVMAFOYIGFAR-HSOILSAZSA-N 0 3 231.336 0.929 20 0 BCADHN CCCCOC[C@@H](O)CNCc1cc(C)[nH]n1 ZINC000644565100 384971537 /nfs/dbraw/zinc/97/15/37/384971537.db2.gz FFQXZYMNVFSLSN-LBPRGKRZSA-N 0 3 241.335 0.985 20 0 BCADHN CCCCOC[C@@H](O)CNCc1cc(C)n[nH]1 ZINC000644565100 384971542 /nfs/dbraw/zinc/97/15/42/384971542.db2.gz FFQXZYMNVFSLSN-LBPRGKRZSA-N 0 3 241.335 0.985 20 0 BCADHN C[C@H](O)CNCc1cc2c([nH]c1=O)CCC2 ZINC000644564146 384971596 /nfs/dbraw/zinc/97/15/96/384971596.db2.gz YMAOBSGVQIFRNM-QMMMGPOBSA-N 0 3 222.288 0.746 20 0 BCADHN CC(C)(O)CN1CCN([C@H]2CCSC2)CC1 ZINC000370404272 384971754 /nfs/dbraw/zinc/97/17/54/384971754.db2.gz DRXJTSBKTODZSM-NSHDSACASA-N 0 3 244.404 0.880 20 0 BCADHN Cc1cc(CNC[C@@](C)(O)CO)sn1 ZINC000404492262 385021499 /nfs/dbraw/zinc/02/14/99/385021499.db2.gz VQTRRXWEYLWSLE-SECBINFHSA-N 0 3 216.306 0.284 20 0 BCADHN CS(=O)(=O)C1(CN[C@H]2CCCOC2)CC1 ZINC000331987740 384972858 /nfs/dbraw/zinc/97/28/58/384972858.db2.gz PRMHNPKSUAWLQX-VIFPVBQESA-N 0 3 233.333 0.332 20 0 BCADHN CC1(C)COC[C@H]1NC[C@H](O)C(F)(F)F ZINC000312972617 384973114 /nfs/dbraw/zinc/97/31/14/384973114.db2.gz AZDPTNFESIOGHG-RQJHMYQMSA-N 0 3 227.226 0.924 20 0 BCADHN C[C@H](O)CCNC(=O)[C@H](CN)c1ccccc1 ZINC000085989732 384976100 /nfs/dbraw/zinc/97/61/00/384976100.db2.gz ZJOZVHXPBXYGPS-CMPLNLGQSA-N 0 3 236.315 0.616 20 0 BCADHN C[C@@H](N)C(=O)NCCC(=O)NCc1ccccc1 ZINC000156827052 384976721 /nfs/dbraw/zinc/97/67/21/384976721.db2.gz PQTAZSYXIUUEQM-SNVBAGLBSA-N 0 3 249.314 0.156 20 0 BCADHN O=C([C@H]1CNCCOC1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000643700331 384979045 /nfs/dbraw/zinc/97/90/45/384979045.db2.gz XFQILQQXPYASIQ-TUAOUCFPSA-N 0 3 238.331 0.481 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1C[C@@]12CCOC2 ZINC000364095318 384982549 /nfs/dbraw/zinc/98/25/49/384982549.db2.gz HWCLYEMFVAFQAJ-ZYHUDNBSSA-N 0 3 226.320 0.481 20 0 BCADHN CO[C@@]1(CNCc2ccccn2)CCOC1 ZINC000156864025 384986749 /nfs/dbraw/zinc/98/67/49/384986749.db2.gz GTJLYUDXPGARFD-GFCCVEGCSA-N 0 3 222.288 0.977 20 0 BCADHN CO[C@@H](CNC[C@@H](C)S(C)(=O)=O)C(C)C ZINC000644580914 384987220 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/nfs/dbraw/zinc/14/19/45/385141945.db2.gz DMLIFTMEPQLYRX-ZACCUICWSA-N 0 3 246.376 0.893 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000227328177 385122119 /nfs/dbraw/zinc/12/21/19/385122119.db2.gz GGMBWDRBPKSMOF-CKYFFXLPSA-N 0 3 228.336 0.924 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)Cc1cccnc1 ZINC000227349988 385130199 /nfs/dbraw/zinc/13/01/99/385130199.db2.gz OFLQSWMEPXBTDH-JTQLQIEISA-N 0 3 223.276 0.014 20 0 BCADHN C[C@@H](N)C(=O)N(CCC(N)=O)c1ccccc1 ZINC000151921399 385142307 /nfs/dbraw/zinc/14/23/07/385142307.db2.gz KYPYXGDWOFRSSK-SECBINFHSA-N 0 3 235.287 0.242 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000227350706 385130568 /nfs/dbraw/zinc/13/05/68/385130568.db2.gz FOHUHOONYLUFRG-NWDGAFQWSA-N 0 3 249.314 0.719 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000227350690 385130824 /nfs/dbraw/zinc/13/08/24/385130824.db2.gz FOHUHOONYLUFRG-NEPJUHHUSA-N 0 3 249.314 0.719 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1ccc(C)c(F)c1 ZINC000227348992 385131398 /nfs/dbraw/zinc/13/13/98/385131398.db2.gz RKTDAEACZWYYFT-NSHDSACASA-N 0 3 240.278 0.724 20 0 BCADHN OC[C@H]1[C@@H]2CN(CCOCC3CC3)C[C@H]12 ZINC000644715392 385134502 /nfs/dbraw/zinc/13/45/02/385134502.db2.gz YWJJNBMCAUDRLM-GDNZZTSVSA-N 0 3 211.305 0.583 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCOC1 ZINC000088722038 385138749 /nfs/dbraw/zinc/13/87/49/385138749.db2.gz HSEPWTJYFZVWPZ-RKDXNWHRSA-N 0 3 221.322 0.188 20 0 BCADHN CC(C(=O)N[C@@H]1CCC[C@H]1C)S(C)(=O)=O ZINC000407955445 385139844 /nfs/dbraw/zinc/13/98/44/385139844.db2.gz ICYSKWRGNPNKDV-IWSPIJDZSA-N 0 3 233.333 0.724 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC(C(C)C)CC1 ZINC000227412833 385140405 /nfs/dbraw/zinc/14/04/05/385140405.db2.gz XCDRACBUQVRMDZ-NSHDSACASA-N 0 3 228.336 0.855 20 0 BCADHN Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3N)C2)[nH]n1 ZINC000643800011 385086497 /nfs/dbraw/zinc/08/64/97/385086497.db2.gz OZQGKYLZMSJBGW-MXWKQRLJSA-N 0 3 248.330 0.771 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CCCSC1 ZINC000186884518 134443583 /nfs/dbraw/zinc/44/35/83/134443583.db2.gz PHFAFZVAFQIDQX-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN COC(=O)[C@@H](C)CN(CCOCCO)C1CC1 ZINC000157171111 385092329 /nfs/dbraw/zinc/09/23/29/385092329.db2.gz QLHQROQEYPUANM-JTQLQIEISA-N 0 3 245.319 0.269 20 0 BCADHN CC(C)N1CC[C@@H](N(C)CC(C)(C)O)C1=O ZINC000177730244 385092766 /nfs/dbraw/zinc/09/27/66/385092766.db2.gz QADSLIPXTYRLTI-SNVBAGLBSA-N 0 3 228.336 0.698 20 0 BCADHN COCCOC1CCN(CCO)CC1 ZINC000177734247 385093076 /nfs/dbraw/zinc/09/30/76/385093076.db2.gz JLMPTRJHQWEGSN-UHFFFAOYSA-N 0 3 203.282 0.106 20 0 BCADHN CNC(=O)CN[C@H](CO)[C@H](C)c1ccccc1 ZINC000644684391 385098707 /nfs/dbraw/zinc/09/87/07/385098707.db2.gz HLXIUPOTNKTRIS-ZYHUDNBSSA-N 0 3 236.315 0.487 20 0 BCADHN C[C@@H](N)C(=O)NCCc1cc(F)cc(F)c1 ZINC000060718846 385099451 /nfs/dbraw/zinc/09/94/51/385099451.db2.gz RWLODCIJBNIVKC-SSDOTTSWSA-N 0 3 228.242 0.971 20 0 BCADHN CO[C@@H](C)CN1CCC[C@H](N2CCOCC2)C1 ZINC000559642223 385100417 /nfs/dbraw/zinc/10/04/17/385100417.db2.gz NKWGLGUGJQQVOT-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H](F)CCN1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000334154628 385102606 /nfs/dbraw/zinc/10/26/06/385102606.db2.gz SCMNJQPVWLDMMJ-KWQFWETISA-N 0 3 243.282 0.361 20 0 BCADHN CC[C@@H](F)CN1CCC[C@](O)(C(N)=O)C1 ZINC000408049207 385184988 /nfs/dbraw/zinc/18/49/88/385184988.db2.gz WWNINUWRRVIZPV-PSASIEDQSA-N 0 3 218.272 0.047 20 0 BCADHN CC[C@H](F)CN1CCC[C@@](O)(C(N)=O)C1 ZINC000408049210 385185255 /nfs/dbraw/zinc/18/52/55/385185255.db2.gz WWNINUWRRVIZPV-WPRPVWTQSA-N 0 3 218.272 0.047 20 0 BCADHN CC[C@@H](C)CS(=O)(=O)N[C@H]1CCCNC1 ZINC000237017884 385185914 /nfs/dbraw/zinc/18/59/14/385185914.db2.gz MBNJAUWAECEUEC-ZJUUUORDSA-N 0 3 234.365 0.704 20 0 BCADHN N[C@H](CNC(=O)[C@H]1CCOC1)c1ccccc1 ZINC000062837811 385189866 /nfs/dbraw/zinc/18/98/66/385189866.db2.gz XLBJIFMPNWTRNO-NWDGAFQWSA-N 0 3 234.299 0.839 20 0 BCADHN CC(C)N1CCCN([C@H]2CCNC2=O)CC1 ZINC000336371083 385190353 /nfs/dbraw/zinc/19/03/53/385190353.db2.gz GWOZASYIDONYRP-NSHDSACASA-N 0 3 225.336 0.291 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644728525 385195599 /nfs/dbraw/zinc/19/55/99/385195599.db2.gz IGVIJTRVDDLULI-WDEREUQCSA-N 0 3 225.336 0.101 20 0 BCADHN Cc1cncc(C(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000647057998 385195835 /nfs/dbraw/zinc/19/58/35/385195835.db2.gz GYPXLBZWFSUQFD-QWRGUYRKSA-N 0 3 237.278 0.820 20 0 BCADHN CN(C(=O)CN1CC[C@@H]2CN(C)C[C@H]21)C1CC1 ZINC000644728770 385197916 /nfs/dbraw/zinc/19/79/16/385197916.db2.gz JGPURGVAMWVATL-ZYHUDNBSSA-N 0 3 237.347 0.243 20 0 BCADHN C[C@](O)(CN[C@H]1CCOC1)c1ccco1 ZINC000088735083 385143883 /nfs/dbraw/zinc/14/38/83/385143883.db2.gz YLSALPQMGHHVPH-ONGXEEELSA-N 0 3 211.261 0.866 20 0 BCADHN CCOC[C@@H](O)CNCc1ccc2cncn2c1 ZINC000564859039 385144644 /nfs/dbraw/zinc/14/46/44/385144644.db2.gz BZIKNAVQUVJEBF-ZDUSSCGKSA-N 0 3 249.314 0.821 20 0 BCADHN c1cncc(CNCCN2CCCOCC2)c1 ZINC000061936680 385144774 /nfs/dbraw/zinc/14/47/74/385144774.db2.gz SCRQFQHBCYPUPH-UHFFFAOYSA-N 0 3 235.331 0.894 20 0 BCADHN C[C@@](O)(CN[C@H]1CCOC1)c1ccco1 ZINC000088735082 385145725 /nfs/dbraw/zinc/14/57/25/385145725.db2.gz YLSALPQMGHHVPH-GXSJLCMTSA-N 0 3 211.261 0.866 20 0 BCADHN Cc1nc(CN[C@@H]2CSC[C@@H]2C)n[nH]1 ZINC000306652232 385147533 /nfs/dbraw/zinc/14/75/33/385147533.db2.gz CMEASSXVTZNPDH-POYBYMJQSA-N 0 3 212.322 0.954 20 0 BCADHN CNC(=O)CCCC(=O)N1CCCN(C)CC1 ZINC000408409033 385155178 /nfs/dbraw/zinc/15/51/78/385155178.db2.gz ZQAHMCKPWZXNHW-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN Cc1nc(C2(NC(=O)[C@H](C)N)CCCC2)no1 ZINC000152110099 385155883 /nfs/dbraw/zinc/15/58/83/385155883.db2.gz PDHITTSXBXAKHP-ZETCQYMHSA-N 0 3 238.291 0.611 20 0 BCADHN CCc1nn(C)cc1CNC[C@H](O)CC ZINC000163486835 385159746 /nfs/dbraw/zinc/15/97/46/385159746.db2.gz YXQYHFCFSQXCHP-SNVBAGLBSA-N 0 3 211.309 0.843 20 0 BCADHN CC[C@@H](CO)N(C)CC[C@H]1CCS(=O)(=O)C1 ZINC000647026102 385160239 /nfs/dbraw/zinc/16/02/39/385160239.db2.gz GBLAMNYTVVQGAL-QWRGUYRKSA-N 0 3 249.376 0.514 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N1CC[C@@](C)(O)C1 ZINC000178003819 385169959 /nfs/dbraw/zinc/16/99/59/385169959.db2.gz UJJDEVATDCCCBF-ZYHUDNBSSA-N 0 3 228.336 0.700 20 0 BCADHN CS(=O)(=O)C1(CNCc2cc[nH]c2)CC1 ZINC000279796244 385201176 /nfs/dbraw/zinc/20/11/76/385201176.db2.gz MXLFNZWWVWASRI-UHFFFAOYSA-N 0 3 228.317 0.682 20 0 BCADHN CCN(C)C(=O)NCCN1CC[C@H](C)C1 ZINC000557817706 385173428 /nfs/dbraw/zinc/17/34/28/385173428.db2.gz QNDFBUTVXFMYTO-JTQLQIEISA-N 0 3 213.325 0.990 20 0 BCADHN N[C@H](CC(F)F)C(=O)NC[C@@H]1CCCO1 ZINC000336706164 385173710 /nfs/dbraw/zinc/17/37/10/385173710.db2.gz RIZZGSJIKOFORI-NKWVEPMBSA-N 0 3 222.235 0.264 20 0 BCADHN CCc1nnc(CN2CC[C@H]3CN(C)C[C@H]32)o1 ZINC000644727798 385175162 /nfs/dbraw/zinc/17/51/62/385175162.db2.gz BWDQMBWVSDVXHW-VHSXEESVSA-N 0 3 236.319 0.768 20 0 BCADHN CCOC[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC000178207521 385206437 /nfs/dbraw/zinc/20/64/37/385206437.db2.gz DEGMVOZLTLGFDB-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@H]1[C@@H](CO)CCN1C(=O)C1CCN(C)CC1 ZINC000427816594 385207274 /nfs/dbraw/zinc/20/72/74/385207274.db2.gz IYERXGVSCVECLR-CMPLNLGQSA-N 0 3 240.347 0.558 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@H]1C(C)(C)O ZINC000305199240 385210431 /nfs/dbraw/zinc/21/04/31/385210431.db2.gz VGLPUCMWUGBZRH-JTQLQIEISA-N 0 3 228.336 0.746 20 0 BCADHN COCC[C@@](C)(O)CNCc1ccncc1 ZINC000172070152 385210795 /nfs/dbraw/zinc/21/07/95/385210795.db2.gz ALDRIEZSPMTZAE-GFCCVEGCSA-N 0 3 224.304 0.959 20 0 BCADHN COC(=O)CCN1CC[C@@H](C(=O)OC)C1 ZINC000107821519 385212918 /nfs/dbraw/zinc/21/29/18/385212918.db2.gz GZRXYXMSWFZYCX-MRVPVSSYSA-N 0 3 215.249 0.044 20 0 BCADHN O=C1C[C@H](N[C@@H]2CCOC2)[C@@H]2CCCCN12 ZINC000300964964 385215533 /nfs/dbraw/zinc/21/55/33/385215533.db2.gz PXQIGLUUHCCDNK-VWYCJHECSA-N 0 3 224.304 0.518 20 0 BCADHN CC[C@@H](N)C(=O)NCCCCOCCOC ZINC000157574439 385216688 /nfs/dbraw/zinc/21/66/88/385216688.db2.gz QFRXMPGTQUOJED-SNVBAGLBSA-N 0 3 232.324 0.283 20 0 BCADHN CCOC[C@@H](C)NCC(=O)NC(C)(C)C ZINC000044724182 385219451 /nfs/dbraw/zinc/21/94/51/385219451.db2.gz BUSOTHFDDPXBJU-SECBINFHSA-N 0 3 216.325 0.916 20 0 BCADHN N[C@H](C(=O)NC[C@H]1CCC[C@H]1O)C1CCC1 ZINC000331438760 385221158 /nfs/dbraw/zinc/22/11/58/385221158.db2.gz DXVOJSKNRWGVJW-MXWKQRLJSA-N 0 3 226.320 0.391 20 0 BCADHN C[C@@H]1OCC[C@H]1NCC(=O)NC(C)(C)C ZINC000120018243 385223142 /nfs/dbraw/zinc/22/31/42/385223142.db2.gz DQGJDKVULFAZMZ-DTWKUNHWSA-N 0 3 214.309 0.668 20 0 BCADHN CC(C)OCCN[C@@H]1CCCS(=O)(=O)C1 ZINC000068941649 385223784 /nfs/dbraw/zinc/22/37/84/385223784.db2.gz WZZCVNVMIGMZJF-SNVBAGLBSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H](CO)CC(F)(F)F ZINC000308861307 385229023 /nfs/dbraw/zinc/22/90/23/385229023.db2.gz RMVOKQGTPGDKLW-NTSWFWBYSA-N 0 3 228.214 0.153 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)c1cscn1 ZINC000153011830 385229892 /nfs/dbraw/zinc/22/98/92/385229892.db2.gz VWCLVDFITUAMHE-JTQLQIEISA-N 0 3 243.332 0.186 20 0 BCADHN C[C@@H]1CC[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000565842487 385229997 /nfs/dbraw/zinc/22/99/97/385229997.db2.gz FHCIMNATGQSWHV-RHYQMDGZSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCCC[C@@H](CO)C1 ZINC000370908840 385257085 /nfs/dbraw/zinc/25/70/85/385257085.db2.gz IJEKPIQQZISOHZ-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN Cn1cc(CNC[C@@H](CO)C2CC2)cn1 ZINC000308865781 385232344 /nfs/dbraw/zinc/23/23/44/385232344.db2.gz FFTFILDYQGYTCP-NSHDSACASA-N 0 3 209.293 0.528 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NC[C@@H](O)c1ccccc1 ZINC000294845649 385257237 /nfs/dbraw/zinc/25/72/37/385257237.db2.gz ULONITIYZLRSTK-ZWNOBZJWSA-N 0 3 248.326 0.977 20 0 BCADHN CCCn1ncnc1CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644730226 385257151 /nfs/dbraw/zinc/25/71/51/385257151.db2.gz PCWIJOUUQNKSGI-NWDGAFQWSA-N 0 3 249.362 0.824 20 0 BCADHN Cc1cscc1C(=O)NC[C@@H]1CNCCO1 ZINC000227785108 385235673 /nfs/dbraw/zinc/23/56/73/385235673.db2.gz UJQLRQBSIOCSID-VIFPVBQESA-N 0 3 240.328 0.775 20 0 BCADHN Cc1ccc(C(=O)NC[C@](C)(O)CN(C)C)o1 ZINC000153124706 385237240 /nfs/dbraw/zinc/23/72/40/385237240.db2.gz DGZJONQUHFIJMC-LBPRGKRZSA-N 0 3 240.303 0.630 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000153493328 385257454 /nfs/dbraw/zinc/25/74/54/385257454.db2.gz PNPYOGPZXLWXQK-LLVKDONJSA-N 0 3 249.314 0.541 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCCC[C@H](CO)C1 ZINC000370908839 385257550 /nfs/dbraw/zinc/25/75/50/385257550.db2.gz IJEKPIQQZISOHZ-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000157658283 385240811 /nfs/dbraw/zinc/24/08/11/385240811.db2.gz JYGYQHPNMBSGRK-VHSXEESVSA-N 0 3 226.320 0.942 20 0 BCADHN c1cnn(CCN2CCC3(CC2)OCCO3)c1 ZINC000064140554 385245603 /nfs/dbraw/zinc/24/56/03/385245603.db2.gz VOFHUWODIHSITF-UHFFFAOYSA-N 0 3 237.303 0.722 20 0 BCADHN CSC[C@H](C)C(=O)NCCN(C)C ZINC000109022901 385246978 /nfs/dbraw/zinc/24/69/78/385246978.db2.gz ZQYZFSRGOYEMDU-QMMMGPOBSA-N 0 3 204.339 0.663 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1nccn1C(F)F ZINC000166494970 385247181 /nfs/dbraw/zinc/24/71/81/385247181.db2.gz RHJWBRIEJGLFDD-MRVPVSSYSA-N 0 3 246.261 0.878 20 0 BCADHN O=C(CNc1ccccc1)NC[C@@H]1CNCCO1 ZINC000647086575 385248696 /nfs/dbraw/zinc/24/86/96/385248696.db2.gz HDGSDVBGZKXCDJ-LBPRGKRZSA-N 0 3 249.314 0.203 20 0 BCADHN Cn1cncc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000290532653 385249931 /nfs/dbraw/zinc/24/99/31/385249931.db2.gz YFYOODOVUZXIFC-SNVBAGLBSA-N 0 3 234.303 0.340 20 0 BCADHN Cn1cncc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000290532651 385250005 /nfs/dbraw/zinc/25/00/05/385250005.db2.gz YFYOODOVUZXIFC-JTQLQIEISA-N 0 3 234.303 0.340 20 0 BCADHN CC(=O)c1csc(C(=O)N(C)CCN)c1 ZINC000647088650 385253866 /nfs/dbraw/zinc/25/38/66/385253866.db2.gz LVGQPGXGBALEOU-UHFFFAOYSA-N 0 3 226.301 0.981 20 0 BCADHN Cn1nccc1CN[C@@H](CO)C(C)(C)C ZINC000330363824 385254313 /nfs/dbraw/zinc/25/43/13/385254313.db2.gz UVRVKNZNRIEPDO-JTQLQIEISA-N 0 3 211.309 0.917 20 0 BCADHN CC(C)n1nccc1CNCCn1cncn1 ZINC000280088644 385255154 /nfs/dbraw/zinc/25/51/54/385255154.db2.gz YXXSTDBYKYXMGT-UHFFFAOYSA-N 0 3 234.307 0.845 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccc(=O)[nH]c1 ZINC000130527468 385255681 /nfs/dbraw/zinc/25/56/81/385255681.db2.gz FBXBUEOCJFUQKR-QMMMGPOBSA-N 0 3 223.276 0.055 20 0 BCADHN Cc1ccncc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058168 385203415 /nfs/dbraw/zinc/20/34/15/385203415.db2.gz RGGARNSSSDNDEX-UWVGGRQHSA-N 0 3 237.278 0.820 20 0 BCADHN CN(C)CCNC(=O)c1ccc2nncn2c1 ZINC000131071804 385305319 /nfs/dbraw/zinc/30/53/19/385305319.db2.gz ZJQHJMAADKGEBS-UHFFFAOYSA-N 0 3 233.275 0.021 20 0 BCADHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)N(C)C ZINC000308955030 385307043 /nfs/dbraw/zinc/30/70/43/385307043.db2.gz YYFCGAZRHTUMSO-SECBINFHSA-N 0 3 237.369 0.111 20 0 BCADHN O=C(CNC1(CO)CCCC1)N1CCC1 ZINC000308960580 385314898 /nfs/dbraw/zinc/31/48/98/385314898.db2.gz YZOKTMGTCKKNKN-UHFFFAOYSA-N 0 3 212.293 0.113 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)[C@@H](O)C1CCC1 ZINC000449829148 385315998 /nfs/dbraw/zinc/31/59/98/385315998.db2.gz RSXSWYASCPSGNR-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272569628 385318320 /nfs/dbraw/zinc/31/83/20/385318320.db2.gz VCDUBOKBULMMGY-ZYHUDNBSSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1[nH]nc(C(=O)N2C[C@@H](C)NC[C@@H]2C)c1C ZINC000272553459 385318409 /nfs/dbraw/zinc/31/84/09/385318409.db2.gz KYPVRFVDZAGFPJ-SFYZADRCSA-N 0 3 236.319 0.849 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NCC(F)F)C1 ZINC000167470807 385318498 /nfs/dbraw/zinc/31/84/98/385318498.db2.gz SADGXHPXIGCWGX-RNFRBKRXSA-N 0 3 206.236 0.756 20 0 BCADHN Cc1n[nH]cc1CN1C[C@@H](C)[C@H](CO)C1 ZINC000191720584 385318912 /nfs/dbraw/zinc/31/89/12/385318912.db2.gz VOLULCRPSXOPOF-KCJUWKMLSA-N 0 3 209.293 0.778 20 0 BCADHN COCC[C@](C)(O)CNCc1ccnn1C ZINC000177560056 385260347 /nfs/dbraw/zinc/26/03/47/385260347.db2.gz DKSZHBAYHZXXDH-NSHDSACASA-N 0 3 227.308 0.297 20 0 BCADHN CN(CCC(N)=O)CCC(=O)OC(C)(C)C ZINC000344225880 385262446 /nfs/dbraw/zinc/26/24/46/385262446.db2.gz YUYKKPPWNHWPFN-UHFFFAOYSA-N 0 3 230.308 0.525 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H](N)C(C)C)C[C@H](C)O1 ZINC000237039916 385262700 /nfs/dbraw/zinc/26/27/00/385262700.db2.gz QQRISZDLVBHZCS-DCAQKATOSA-N 0 3 228.336 0.996 20 0 BCADHN CN1C[C@H]2CCN(Cc3ccno3)[C@@H]2C1 ZINC000644732278 385268096 /nfs/dbraw/zinc/26/80/96/385268096.db2.gz PGIPBVVKGDJQEJ-MWLCHTKSSA-N 0 3 207.277 0.811 20 0 BCADHN C[C@H](O)CN(C)C[C@H](O)COC(C)(C)C ZINC000131239029 385322463 /nfs/dbraw/zinc/32/24/63/385322463.db2.gz JBJUOAUGTABNEI-UWVGGRQHSA-N 0 3 219.325 0.475 20 0 BCADHN CN1C(=O)[C@H]2CN(Cc3ccco3)C[C@H]2C1=O ZINC000257179076 385269165 /nfs/dbraw/zinc/26/91/65/385269165.db2.gz HWOMHWVAHMOEBO-AOOOYVTPSA-N 0 3 234.255 0.326 20 0 BCADHN C[C@@H](CN(C)C)Nc1ccc(C(N)=O)cn1 ZINC000130631470 385270945 /nfs/dbraw/zinc/27/09/45/385270945.db2.gz SAULFXVZZIDHEY-QMMMGPOBSA-N 0 3 222.292 0.543 20 0 BCADHN O=C1C[C@@H](c2ccccc2)N(CCO)CCN1 ZINC000177689707 385271109 /nfs/dbraw/zinc/27/11/09/385271109.db2.gz AYCKFJBEYKMDKH-LBPRGKRZSA-N 0 3 234.299 0.542 20 0 BCADHN CCNC(=O)C(C)(C)NCCOCC ZINC000313052733 385272574 /nfs/dbraw/zinc/27/25/74/385272574.db2.gz CJRVFGKHWZWVED-UHFFFAOYSA-N 0 3 202.298 0.527 20 0 BCADHN CNCC(=O)NCc1ccnc(-n2cccn2)c1 ZINC000164696513 385272584 /nfs/dbraw/zinc/27/25/84/385272584.db2.gz XYIOKGVZTHMJAQ-UHFFFAOYSA-N 0 3 245.286 0.103 20 0 BCADHN CCN(CCO)CCNC(=O)C1(SC)CC1 ZINC000191040779 385278889 /nfs/dbraw/zinc/27/88/89/385278889.db2.gz TXSCLAZMMUFZOV-UHFFFAOYSA-N 0 3 246.376 0.312 20 0 BCADHN C/C=C/C=C\C(=O)N1CCN(C)C[C@@H]1CN ZINC000211608301 385279073 /nfs/dbraw/zinc/27/90/73/385279073.db2.gz DGJPTZDJALYJEB-WRGWHIHZSA-N 0 3 223.320 0.220 20 0 BCADHN Cc1c[nH]nc1CNC[C@@](C)(O)C1CC1 ZINC000308906429 385281143 /nfs/dbraw/zinc/28/11/43/385281143.db2.gz CQOIDHMIRPYDGZ-LLVKDONJSA-N 0 3 209.293 0.969 20 0 BCADHN CC(C(=O)N[C@H]1CC12CC2)S(C)(=O)=O ZINC000424995357 385285789 /nfs/dbraw/zinc/28/57/89/385285789.db2.gz ZCDCCVFAAYXJKG-BQBZGAKWSA-N 0 3 217.290 0.088 20 0 BCADHN CN(C)CCNC(=O)c1ccc(NC=O)cc1 ZINC000130823535 385287703 /nfs/dbraw/zinc/28/77/03/385287703.db2.gz LHOWNDDMRLRBMI-UHFFFAOYSA-N 0 3 235.287 0.546 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@H](C)[C@@H]1CO ZINC000191186840 385290107 /nfs/dbraw/zinc/29/01/07/385290107.db2.gz SQRKKWHGEAOHBX-KWQFWETISA-N 0 3 209.293 0.921 20 0 BCADHN CC[C@](C)(O)CNCc1ccnc(OC)n1 ZINC000294883014 385291984 /nfs/dbraw/zinc/29/19/84/385291984.db2.gz XSUFTAILMMMZAM-NSHDSACASA-N 0 3 225.292 0.736 20 0 BCADHN CO[C@@](C)(C(=O)N[C@H](C)CN(C)C)C1CC1 ZINC000360614104 385292208 /nfs/dbraw/zinc/29/22/08/385292208.db2.gz WMEXOHNZMMLXEM-BXKDBHETSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H](CCNC(=O)/C=C/CN(C)C)[S@](C)=O ZINC000492170454 385293645 /nfs/dbraw/zinc/29/36/45/385293645.db2.gz OZNYOIXIJWHYFB-VSWHHFTGSA-N 0 3 246.376 0.378 20 0 BCADHN CCN(C)CCNC(=O)CCc1ccncn1 ZINC000191233424 385294985 /nfs/dbraw/zinc/29/49/85/385294985.db2.gz IWWWRYLADAKLAY-UHFFFAOYSA-N 0 3 236.319 0.477 20 0 BCADHN CO[C@H](C)CN[C@H]1CCCS(=O)(=O)C1 ZINC000167078737 385295621 /nfs/dbraw/zinc/29/56/21/385295621.db2.gz FKRUYUQFARZQFT-BDAKNGLRSA-N 0 3 221.322 0.188 20 0 BCADHN COC(=O)c1ccc(CN[C@@H](C)[C@@H](C)CO)[nH]1 ZINC000167067605 385297245 /nfs/dbraw/zinc/29/72/45/385297245.db2.gz KFOYCMMRSPOCFT-IUCAKERBSA-N 0 3 240.303 0.908 20 0 BCADHN CO[C@H](CN[C@@H]1CCC(=O)N(C)C1=O)C1CC1 ZINC000400136623 385297594 /nfs/dbraw/zinc/29/75/94/385297594.db2.gz DFPFQCFFVCVUIC-NXEZZACHSA-N 0 3 240.303 0.148 20 0 BCADHN CC(C)N1CC[C@H](N(C)C[C@@H]2CCOC2)C1=O ZINC000178763173 385323667 /nfs/dbraw/zinc/32/36/67/385323667.db2.gz YAUUBRGKZMRKPT-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@@](C)(O)C(F)(F)F ZINC000308940592 385298641 /nfs/dbraw/zinc/29/86/41/385298641.db2.gz UTXNLMFSWMOSAC-CAHLUQPWSA-N 0 3 228.214 0.153 20 0 BCADHN C[C@H](CC(N)=O)NC[C@](C)(O)C(F)(F)F ZINC000308940598 385298786 /nfs/dbraw/zinc/29/87/86/385298786.db2.gz UTXNLMFSWMOSAC-VDTYLAMSSA-N 0 3 228.214 0.153 20 0 BCADHN Cc1noc(CCNC(=O)[C@@H](N)CC(C)C)n1 ZINC000154047783 385299254 /nfs/dbraw/zinc/29/92/54/385299254.db2.gz NXROAIZDMQVHQD-VIFPVBQESA-N 0 3 240.307 0.410 20 0 BCADHN CN(CC1CC1)C(=O)[C@@H](N)CC(F)F ZINC000336699555 385331453 /nfs/dbraw/zinc/33/14/53/385331453.db2.gz WPIXCKCVRJHVOI-ZETCQYMHSA-N 0 3 206.236 0.837 20 0 BCADHN C[C@H](CNC(=O)[C@@H](O)C1CCC1)N(C)C1CC1 ZINC000449833062 385333021 /nfs/dbraw/zinc/33/30/21/385333021.db2.gz DQXZNGLUTFICMO-SKDRFNHKSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@@H](N)C(=O)NCc1nc(C2CC2)cs1 ZINC000178843367 385335646 /nfs/dbraw/zinc/33/56/46/385335646.db2.gz PBVBXJDBKADZHZ-ZCFIWIBFSA-N 0 3 225.317 0.984 20 0 BCADHN Cc1cnn(C)c1CNC[C@@H](O)C(C)C ZINC000308992576 385336389 /nfs/dbraw/zinc/33/63/89/385336389.db2.gz LQCLHIHOJIOUHP-LLVKDONJSA-N 0 3 211.309 0.835 20 0 BCADHN C[C@H](N)C(=O)NC[C@H](CCO)c1ccccc1 ZINC000178133492 385337157 /nfs/dbraw/zinc/33/71/57/385337157.db2.gz MNDSYKREZIRLNB-JQWIXIFHSA-N 0 3 236.315 0.616 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](CCO)c1ccccc1 ZINC000178133670 385337809 /nfs/dbraw/zinc/33/78/09/385337809.db2.gz MNDSYKREZIRLNB-ZYHUDNBSSA-N 0 3 236.315 0.616 20 0 BCADHN CC(C)[C@@H](O)CCNCc1cncn1C ZINC000308998339 385338370 /nfs/dbraw/zinc/33/83/70/385338370.db2.gz NGHUQFWKHMKOPH-NSHDSACASA-N 0 3 211.309 0.917 20 0 BCADHN CC[C@H](NC[C@H](O)COC)c1cnn(C)c1 ZINC000167866573 385338585 /nfs/dbraw/zinc/33/85/85/385338585.db2.gz ASXNJXRXCZVIDV-QWRGUYRKSA-N 0 3 227.308 0.468 20 0 BCADHN C[C@@H](C[C@@H]1CCOC1)NC(=O)CNC1CC1 ZINC000643979281 385343912 /nfs/dbraw/zinc/34/39/12/385343912.db2.gz ULJMZGCPVIFZBA-UWVGGRQHSA-N 0 3 226.320 0.670 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NC[C@@H]1CCCS1 ZINC000309044241 385389253 /nfs/dbraw/zinc/38/92/53/385389253.db2.gz MAJVUTFRQLXCRZ-BQBZGAKWSA-N 0 3 238.303 0.981 20 0 BCADHN C[C@@H](C[C@H]1CCOC1)NC(=O)CNC1CC1 ZINC000643979282 385345055 /nfs/dbraw/zinc/34/50/55/385345055.db2.gz ULJMZGCPVIFZBA-VHSXEESVSA-N 0 3 226.320 0.670 20 0 BCADHN COC[C@H](NCc1ccc(C(N)=O)nc1)C1CC1 ZINC000361931395 385346850 /nfs/dbraw/zinc/34/68/50/385346850.db2.gz VPINDXMQMQHRPR-LBPRGKRZSA-N 0 3 249.314 0.695 20 0 BCADHN COc1ccc(CN2CC[C@@H]3CN(C)C[C@H]32)nn1 ZINC000644735051 385351949 /nfs/dbraw/zinc/35/19/49/385351949.db2.gz PHORGPNEYFERMV-ZYHUDNBSSA-N 0 3 248.330 0.621 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644735262 385352402 /nfs/dbraw/zinc/35/24/02/385352402.db2.gz UUVUFKUJDFWUHY-NWDGAFQWSA-N 0 3 239.363 0.491 20 0 BCADHN CCc1noc(CN2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000644735321 385353384 /nfs/dbraw/zinc/35/33/84/385353384.db2.gz XZOWWCMUQKFZEL-VHSXEESVSA-N 0 3 236.319 0.768 20 0 BCADHN Cc1nnc(CN2CC[C@H]3CN(C)C[C@@H]32)[nH]1 ZINC000644734049 385353491 /nfs/dbraw/zinc/35/34/91/385353491.db2.gz QNNSIAVFQBCCFW-UWVGGRQHSA-N 0 3 221.308 0.249 20 0 BCADHN Cn1ccc(CN2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000644734068 385353808 /nfs/dbraw/zinc/35/38/08/385353808.db2.gz QZLLGXRPLMEDOE-CMPLNLGQSA-N 0 3 220.320 0.556 20 0 BCADHN Cc1c(CN2CC[C@H]3CN(C)C[C@@H]32)cnn1C ZINC000644733706 385354024 /nfs/dbraw/zinc/35/40/24/385354024.db2.gz LSTPCIRWICBHPF-AAEUAGOBSA-N 0 3 234.347 0.864 20 0 BCADHN Cc1cn[nH]c1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368667438 385389742 /nfs/dbraw/zinc/38/97/42/385389742.db2.gz RPMYIPZXRJOXIX-JBLDHEPKSA-N 0 3 248.330 0.804 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cscn2)[C@H]1C ZINC000262754882 385356636 /nfs/dbraw/zinc/35/66/36/385356636.db2.gz HIJMCWDUGAUJIO-SFYZADRCSA-N 0 3 225.317 0.966 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1NCC1(C)C)c1cnn(C)c1 ZINC000643991109 385358109 /nfs/dbraw/zinc/35/81/09/385358109.db2.gz ILGGSNQAMHLDRH-SCZZXKLOSA-N 0 3 236.319 0.595 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@](C)(N)CCC ZINC000158163764 385359596 /nfs/dbraw/zinc/35/95/96/385359596.db2.gz KFBHPIJUSPSADY-GXSJLCMTSA-N 0 3 216.325 0.781 20 0 BCADHN CC[C@H](COC)NC[C@H](O)c1cnn(C)c1 ZINC000168290776 385359720 /nfs/dbraw/zinc/35/97/20/385359720.db2.gz ZODLICVZFFZNFU-MNOVXSKESA-N 0 3 227.308 0.468 20 0 BCADHN CN(C)C/C=C\C(=O)Nc1ccc2nncn2c1 ZINC000492347147 385361199 /nfs/dbraw/zinc/36/11/99/385361199.db2.gz IDFMTTWZMJHHKO-ARJAWSKDSA-N 0 3 245.286 0.786 20 0 BCADHN COCC[C@@](C)(O)CN[C@@H](C)c1cnn(C)c1 ZINC000178374797 385361676 /nfs/dbraw/zinc/36/16/76/385361676.db2.gz QOUPDWDZAMIINJ-CMPLNLGQSA-N 0 3 241.335 0.858 20 0 BCADHN C[C@@H](NCC1(CO)COC1)c1ccco1 ZINC000309000260 385361899 /nfs/dbraw/zinc/36/18/99/385361899.db2.gz NWGDYQIAFIAJMU-SECBINFHSA-N 0 3 211.261 0.939 20 0 BCADHN C[C@@H](O)CCN(C)[C@@H]1CCCCNC1=O ZINC000120589292 385362371 /nfs/dbraw/zinc/36/23/71/385362371.db2.gz PAJXJNUTVBWYPJ-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CN(C)C1(CNCc2ncnn2C)CCC1 ZINC000165217586 385363902 /nfs/dbraw/zinc/36/39/02/385363902.db2.gz MZZJEXZYDHNLNI-UHFFFAOYSA-N 0 3 223.324 0.389 20 0 BCADHN CC(=O)c1cn(CCN2CCCC2)nn1 ZINC000309005230 385365530 /nfs/dbraw/zinc/36/55/30/385365530.db2.gz MWNLQJXJEKLEPT-UHFFFAOYSA-N 0 3 208.265 0.577 20 0 BCADHN Cc1nn(C)c(C)c1CCCNC(=O)[C@H](C)N ZINC000158207222 385365461 /nfs/dbraw/zinc/36/54/61/385365461.db2.gz NFIDHELFNMMRTQ-QMMMGPOBSA-N 0 3 238.335 0.433 20 0 BCADHN CCn1ncnc1CN1CCC[C@H]2CN(C)C[C@H]21 ZINC000425539587 385370591 /nfs/dbraw/zinc/37/05/91/385370591.db2.gz DCWIHYWADLNILY-NWDGAFQWSA-N 0 3 249.362 0.824 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCOC1 ZINC000179251675 385372587 /nfs/dbraw/zinc/37/25/87/385372587.db2.gz JLWNNFHXGNOQHQ-NXEZZACHSA-N 0 3 227.308 0.169 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NC[C@H]1CCCCO1 ZINC000644013020 385376622 /nfs/dbraw/zinc/37/66/22/385376622.db2.gz HAXLZEFJENOQJD-ZJUUUORDSA-N 0 3 226.320 0.670 20 0 BCADHN CC(C)N(C)C(=O)C1(N)CCOCC1 ZINC000149636328 385380744 /nfs/dbraw/zinc/38/07/44/385380744.db2.gz WCRSBTDMOVBRRY-UHFFFAOYSA-N 0 3 200.282 0.361 20 0 BCADHN Cc1cncc(NC(=O)[C@@H]2C[C@@H](O)CN2)c1 ZINC000168683402 385381521 /nfs/dbraw/zinc/38/15/21/385381521.db2.gz NYLWUMBLIVQXIN-ZJUUUORDSA-N 0 3 221.260 0.051 20 0 BCADHN CCOC[C@H](C)N[C@H]1CCS(=O)(=O)[C@@H]1C ZINC000309035892 385382821 /nfs/dbraw/zinc/38/28/21/385382821.db2.gz HZZVNXQZHTWYCR-AEJSXWLSSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@H](NCCCC(=O)N(C)C)c1cn[nH]c1 ZINC000280974074 385386815 /nfs/dbraw/zinc/38/68/15/385386815.db2.gz KSOXUTMQNMDUJS-VIFPVBQESA-N 0 3 224.308 0.929 20 0 BCADHN CN(CCn1cccn1)C(=O)C(C)(C)N ZINC000168802722 385387178 /nfs/dbraw/zinc/38/71/78/385387178.db2.gz UKMRMBLRCCIFOV-UHFFFAOYSA-N 0 3 210.281 0.079 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)no1 ZINC000262753180 385327123 /nfs/dbraw/zinc/32/71/23/385327123.db2.gz HAZPCXNHLWYMIO-BDAKNGLRSA-N 0 3 223.276 0.805 20 0 BCADHN CCOC[C@@H](O)CN[C@H](CC)c1cnn(C)c1 ZINC000361891184 385327441 /nfs/dbraw/zinc/32/74/41/385327441.db2.gz VLAVKFQLQOIARB-NWDGAFQWSA-N 0 3 241.335 0.858 20 0 BCADHN COC(=O)[C@H](C)N[C@H]1CCCN(C)[C@H]1C ZINC000308971169 385327606 /nfs/dbraw/zinc/32/76/06/385327606.db2.gz ZMUWRMMTCBHQCD-GUBZILKMSA-N 0 3 214.309 0.620 20 0 BCADHN CCOC[C@@H](O)CN[C@@H](CC)c1cnn(C)c1 ZINC000361891185 385327720 /nfs/dbraw/zinc/32/77/20/385327720.db2.gz VLAVKFQLQOIARB-RYUDHWBXSA-N 0 3 241.335 0.858 20 0 BCADHN COC(=O)[C@H](C)N[C@@H]1CCCN(C)[C@H]1C ZINC000308971171 385328302 /nfs/dbraw/zinc/32/83/02/385328302.db2.gz ZMUWRMMTCBHQCD-LPEHRKFASA-N 0 3 214.309 0.620 20 0 BCADHN C[C@@H](O)CNC(=O)C1CCN(C2CC2)CC1 ZINC000194175364 385424680 /nfs/dbraw/zinc/42/46/80/385424680.db2.gz ZKTCLGVGCDTFAJ-SECBINFHSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@H](O)CN[C@@H](CO)c1cccc(F)c1 ZINC000309063986 385391608 /nfs/dbraw/zinc/39/16/08/385391608.db2.gz YINPCLFFVIKXLE-KCJUWKMLSA-N 0 3 213.252 0.830 20 0 BCADHN CC(C)c1n[nH]cc1C(=O)NCCN(C)C ZINC000193342165 385395092 /nfs/dbraw/zinc/39/50/92/385395092.db2.gz AQFAUWFVYUYACX-UHFFFAOYSA-N 0 3 224.308 0.825 20 0 BCADHN Cc1cc(C)n(CCN2C[C@H](O)C[C@H]2C)n1 ZINC000309058823 385396261 /nfs/dbraw/zinc/39/62/61/385396261.db2.gz GVUJYACVCQQKMB-ZYHUDNBSSA-N 0 3 223.320 0.955 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCC[C@H](C)OC ZINC000309060568 385396332 /nfs/dbraw/zinc/39/63/32/385396332.db2.gz WHOHAPGTXIXUAH-UWVGGRQHSA-N 0 3 237.365 0.824 20 0 BCADHN CC[C@H](CO)NC(=O)NC1CCN(C)CC1 ZINC000180889629 385397008 /nfs/dbraw/zinc/39/70/08/385397008.db2.gz BPOFAGOORRVZMN-SECBINFHSA-N 0 3 229.324 0.151 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@@H]2NCC2(C)C)n1 ZINC000644043824 385397288 /nfs/dbraw/zinc/39/72/88/385397288.db2.gz SOXHKPUSPKPBLM-SVRRBLITSA-N 0 3 238.291 0.553 20 0 BCADHN COC[C@H](C)NC(=O)[C@@H]1CNCCC1(F)F ZINC000644052462 385399086 /nfs/dbraw/zinc/39/90/86/385399086.db2.gz PSXSAXAXNSBHDY-YUMQZZPRSA-N 0 3 236.262 0.382 20 0 BCADHN COC[C@H](C)NC(=O)[C@H]1CNCCC1(F)F ZINC000644052460 385399591 /nfs/dbraw/zinc/39/95/91/385399591.db2.gz PSXSAXAXNSBHDY-JGVFFNPUSA-N 0 3 236.262 0.382 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NC[C@]1(C)CCCO1 ZINC000644051945 385399649 /nfs/dbraw/zinc/39/96/49/385399649.db2.gz SDOUTJVFFQEBRK-CABZTGNLSA-N 0 3 226.320 0.670 20 0 BCADHN Nc1cc(N)nc(SCc2cn[nH]n2)n1 ZINC000309080471 385400366 /nfs/dbraw/zinc/40/03/66/385400366.db2.gz OYFCSKIAJXMWAY-UHFFFAOYSA-N 0 3 223.265 0.051 20 0 BCADHN Nc1cc(N)nc(SCc2c[nH]nn2)n1 ZINC000309080471 385400369 /nfs/dbraw/zinc/40/03/69/385400369.db2.gz OYFCSKIAJXMWAY-UHFFFAOYSA-N 0 3 223.265 0.051 20 0 BCADHN CC[C@@](C)(CN[C@H]1CCCNC1=O)OC ZINC000319502828 385425796 /nfs/dbraw/zinc/42/57/96/385425796.db2.gz WKDQFDCJSLPFRQ-ONGXEEELSA-N 0 3 214.309 0.670 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H](C)Cn1ccnc1 ZINC000165581602 385403124 /nfs/dbraw/zinc/40/31/24/385403124.db2.gz CVVKBIQTHHSSEW-MNOVXSKESA-N 0 3 238.335 0.619 20 0 BCADHN COC[C@H](NC(=O)[C@@H]1NCC1(C)C)C(C)C ZINC000644053548 385404671 /nfs/dbraw/zinc/40/46/71/385404671.db2.gz HKLKDRQTAOEKQD-UWVGGRQHSA-N 0 3 228.336 0.772 20 0 BCADHN CC[C@@H]1CCCN1CC(=O)NC(=O)NC1CC1 ZINC000408014885 385406448 /nfs/dbraw/zinc/40/64/48/385406448.db2.gz VOPIJEQLWITQTP-SNVBAGLBSA-N 0 3 239.319 0.849 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC[C@H]1CO ZINC000492687438 385416802 /nfs/dbraw/zinc/41/68/02/385416802.db2.gz GHDAOMBKZKAKTD-OAQKJQOQSA-N 0 3 212.293 0.088 20 0 BCADHN CN(C)C/C=C\C(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000492693308 385419350 /nfs/dbraw/zinc/41/93/50/385419350.db2.gz XPAYLGRUMSQOSU-UMBAGQNISA-N 0 3 224.304 0.088 20 0 BCADHN CC(C)[C@@H](C)N(C)C(=O)C(C)S(C)(=O)=O ZINC000408021809 385420612 /nfs/dbraw/zinc/42/06/12/385420612.db2.gz OSYAVNHPWDWKLM-RKDXNWHRSA-N 0 3 235.349 0.922 20 0 BCADHN C[C@@H](NCCOCCO)c1ccccn1 ZINC000020198681 385422859 /nfs/dbraw/zinc/42/28/59/385422859.db2.gz RNIJLIWOCWGQPL-SNVBAGLBSA-N 0 3 210.277 0.741 20 0 BCADHN CC[C@H](NCC(=O)N(C)C)[C@@H]1CCCO1 ZINC000182373507 385441310 /nfs/dbraw/zinc/44/13/10/385441310.db2.gz RVGHDYUVVMSBFV-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](N)C(=O)NCCCOC1CCCC1 ZINC000156441827 385452523 /nfs/dbraw/zinc/45/25/23/385452523.db2.gz QUEOQJVLRBTPEM-SECBINFHSA-N 0 3 214.309 0.799 20 0 BCADHN C[C@@H](O)CN1CCC(c2ccnn2C)CC1 ZINC000194951802 385453150 /nfs/dbraw/zinc/45/31/50/385453150.db2.gz SWQHFBARKGDXTC-SNVBAGLBSA-N 0 3 223.320 0.980 20 0 BCADHN C[C@H](O)CN1CCCN(c2cccnn2)CC1 ZINC000194951939 385453394 /nfs/dbraw/zinc/45/33/94/385453394.db2.gz COENDHKFZJUSBE-NSHDSACASA-N 0 3 236.319 0.370 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1CCCCCO ZINC000170929601 385455809 /nfs/dbraw/zinc/45/58/09/385455809.db2.gz QHXRPZGAGAVNLX-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN Cc1[nH]ncc1CN1CCOC[C@]12CCOC2 ZINC000195013138 385456141 /nfs/dbraw/zinc/45/61/41/385456141.db2.gz XGNVJMDXMLBPEZ-GFCCVEGCSA-N 0 3 237.303 0.709 20 0 BCADHN CO[C@H](C)CN1CCCN(C(N)=O)CC1 ZINC000182116208 385431034 /nfs/dbraw/zinc/43/10/34/385431034.db2.gz DRCHVNIBDBADHG-SECBINFHSA-N 0 3 215.297 0.108 20 0 BCADHN CO[C@H](C)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000182218300 385433187 /nfs/dbraw/zinc/43/31/87/385433187.db2.gz IKHPRMFJPDSGDP-OLZOCXBDSA-N 0 3 242.363 0.675 20 0 BCADHN C=Cn1cc(CNCCN(CC)CCO)cn1 ZINC000194420737 385433819 /nfs/dbraw/zinc/43/38/19/385433819.db2.gz SPEYWDZTMYUTHE-UHFFFAOYSA-N 0 3 238.335 0.387 20 0 BCADHN CO[C@@H](C)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000182218282 385434239 /nfs/dbraw/zinc/43/42/39/385434239.db2.gz IKHPRMFJPDSGDP-STQMWFEESA-N 0 3 242.363 0.675 20 0 BCADHN CO[C@@H](C)CN1CCN(C2CCOCC2)CC1 ZINC000182209652 385434452 /nfs/dbraw/zinc/43/44/52/385434452.db2.gz REGAMDKYDYAFCC-LBPRGKRZSA-N 0 3 242.363 0.818 20 0 BCADHN CC[C@H](N[C@@H](CC)[C@H]1CCCO1)C(N)=O ZINC000182274832 385435955 /nfs/dbraw/zinc/43/59/55/385435955.db2.gz PDEUSIDFQXEYEN-LPEHRKFASA-N 0 3 214.309 0.798 20 0 BCADHN CC[C@@H](N[C@@H](CC)C(N)=O)[C@H]1CCCO1 ZINC000182274850 385436186 /nfs/dbraw/zinc/43/61/86/385436186.db2.gz PDEUSIDFQXEYEN-KXUCPTDWSA-N 0 3 214.309 0.798 20 0 BCADHN CCN(CC)[C@H](C)CNS(=O)(=O)N(C)C ZINC000036076756 385465569 /nfs/dbraw/zinc/46/55/69/385465569.db2.gz DDARRBZVDXWLCS-SECBINFHSA-N 0 3 237.369 0.113 20 0 BCADHN CCS(=O)(=O)NC1CCN(C(C)C)CC1 ZINC000014252567 385466932 /nfs/dbraw/zinc/46/69/32/385466932.db2.gz ACYCCEJBFXESPA-UHFFFAOYSA-N 0 3 234.365 0.799 20 0 BCADHN C[C@@H](CNC(=O)c1cn[nH]c1)N(C)C1CC1 ZINC000171105505 385468072 /nfs/dbraw/zinc/46/80/72/385468072.db2.gz ODIAWOOLJRIVIY-QMMMGPOBSA-N 0 3 222.292 0.622 20 0 BCADHN CCOC(=O)C[C@@H](C)N(C)CCOCCO ZINC000182668397 385470368 /nfs/dbraw/zinc/47/03/68/385470368.db2.gz RSOYXFCKDOCDCD-SNVBAGLBSA-N 0 3 233.308 0.269 20 0 BCADHN Cc1ccn(C)c(=O)c1NC(=O)[C@@H]1NCC1(C)C ZINC000644098861 385471351 /nfs/dbraw/zinc/47/13/51/385471351.db2.gz DOPBOYNWQLWTGG-JTQLQIEISA-N 0 3 249.314 0.630 20 0 BCADHN CN(C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000171179626 385471472 /nfs/dbraw/zinc/47/14/72/385471472.db2.gz ISHOJRWCDVXJRX-CYBMUJFWSA-N 0 3 249.358 0.967 20 0 BCADHN NC1(C(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000644102323 385472570 /nfs/dbraw/zinc/47/25/70/385472570.db2.gz DOONGELVPCCUGX-UHFFFAOYSA-N 0 3 232.287 0.157 20 0 BCADHN Cn1cccc1CN1CCC[C@@H](OCCO)C1 ZINC000179580396 385475680 /nfs/dbraw/zinc/47/56/80/385475680.db2.gz VUTQXIOCYTYBSO-CYBMUJFWSA-N 0 3 238.331 0.998 20 0 BCADHN C[C@@H](O)CN(CCO)CCN1CCCCC1 ZINC000309205887 385479099 /nfs/dbraw/zinc/47/90/99/385479099.db2.gz BCYSLUOLTQQGGX-GFCCVEGCSA-N 0 3 230.352 0.147 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C(=O)[C@@H]1NCC1(C)C ZINC000644105279 385481110 /nfs/dbraw/zinc/48/11/10/385481110.db2.gz HPMRPJYLALRVDG-UTLUCORTSA-N 0 3 226.320 0.620 20 0 BCADHN CS(=O)(=O)NCCN1CCC[C@@H]1C1CC1 ZINC000364580127 385481228 /nfs/dbraw/zinc/48/12/28/385481228.db2.gz RHLGVUGOWGMWTM-SNVBAGLBSA-N 0 3 232.349 0.410 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C(=O)[C@H]1NCC1(C)C ZINC000644105277 385481756 /nfs/dbraw/zinc/48/17/56/385481756.db2.gz HPMRPJYLALRVDG-KXUCPTDWSA-N 0 3 226.320 0.620 20 0 BCADHN Cn1nccc1CNCCCn1cccn1 ZINC000157060175 385483577 /nfs/dbraw/zinc/48/35/77/385483577.db2.gz SYKFZVFANGASCM-UHFFFAOYSA-N 0 3 219.292 0.797 20 0 BCADHN CC[C@H](O)CN1CCC[C@H](OCCOC)C1 ZINC000179358572 385462988 /nfs/dbraw/zinc/46/29/88/385462988.db2.gz SWTJTIGEPWWCRF-RYUDHWBXSA-N 0 3 231.336 0.885 20 0 BCADHN C[C@@H](N)C(=O)NCCCc1ccccn1 ZINC000182649314 385463729 /nfs/dbraw/zinc/46/37/29/385463729.db2.gz MLELDMDPZJHCFT-SECBINFHSA-N 0 3 207.277 0.478 20 0 BCADHN C[C@H](NC(=O)[C@H](N)CC(F)F)[C@@H]1CCCO1 ZINC000309296317 385517559 /nfs/dbraw/zinc/51/75/59/385517559.db2.gz KUSFJMYYKKJMKU-RNJXMRFFSA-N 0 3 236.262 0.653 20 0 BCADHN C[C@@H]1CNCCN1c1cc2c(nn1)CCC2 ZINC000642997038 385495394 /nfs/dbraw/zinc/49/53/94/385495394.db2.gz OQIBJYVGBAEILG-SECBINFHSA-N 0 3 218.304 0.763 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCCN(C)CC1 ZINC000257747619 385496016 /nfs/dbraw/zinc/49/60/16/385496016.db2.gz ZECUMRTXXLCCBC-LBPRGKRZSA-N 0 3 241.379 0.914 20 0 BCADHN [NH3+]C1CCC(N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000642998845 385496117 /nfs/dbraw/zinc/49/61/17/385496117.db2.gz UQLANVDSDDXYCB-UHFFFAOYSA-N 0 3 232.291 0.408 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)CNc1ccccc1 ZINC000157419851 385501321 /nfs/dbraw/zinc/50/13/21/385501321.db2.gz JCIRFTIFXSIGCY-UWVGGRQHSA-N 0 3 221.304 0.950 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)CNc1ccccc1 ZINC000157419553 385501843 /nfs/dbraw/zinc/50/18/43/385501843.db2.gz JCIRFTIFXSIGCY-VHSXEESVSA-N 0 3 221.304 0.950 20 0 BCADHN CCN1CCCN(c2nc(C)nc(N)n2)CC1 ZINC000307869436 385505070 /nfs/dbraw/zinc/50/50/70/385505070.db2.gz PFRHRDWHJVDBKB-UHFFFAOYSA-N 0 3 236.323 0.294 20 0 BCADHN CN(C)CCSCC(=O)NCC(F)(F)F ZINC000106429750 385511364 /nfs/dbraw/zinc/51/13/64/385511364.db2.gz ICMYZCAZIXFWJS-UHFFFAOYSA-N 0 3 244.282 0.960 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCC(O)CC1)N(C)C ZINC000157722792 385518250 /nfs/dbraw/zinc/51/82/50/385518250.db2.gz UWOKFJLJWYRTCZ-NSHDSACASA-N 0 3 228.336 0.556 20 0 BCADHN CN1CCC(C(=O)NCc2ccc[nH]2)CC1 ZINC000336406630 385488983 /nfs/dbraw/zinc/48/89/83/385488983.db2.gz UGEFHULKETYRMV-UHFFFAOYSA-N 0 3 221.304 0.973 20 0 BCADHN Cc1c[nH]nc1CNCCC1CC(O)C1 ZINC000336729257 385528851 /nfs/dbraw/zinc/52/88/51/385528851.db2.gz IWNUGCMPOCUZTQ-UHFFFAOYSA-N 0 3 209.293 0.969 20 0 BCADHN C[C@@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC1(F)F ZINC000644141978 385533438 /nfs/dbraw/zinc/53/34/38/385533438.db2.gz WOUWDYHKSIASCV-ZKWXMUAHSA-N 0 3 236.237 0.848 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000309344355 385541800 /nfs/dbraw/zinc/54/18/00/385541800.db2.gz LHESZOASTWFCTO-MXWKQRLJSA-N 0 3 248.392 0.492 20 0 BCADHN Cn1cccc1CN1CC[C@@H](CC(N)=O)C1 ZINC000367707463 385542432 /nfs/dbraw/zinc/54/24/32/385542432.db2.gz OQSKYKPUCLZMPV-JTQLQIEISA-N 0 3 221.304 0.722 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3ccncc3)[C@@H]2C1 ZINC000644813420 385542650 /nfs/dbraw/zinc/54/26/50/385542650.db2.gz GQEDJWUSCXTSRT-NWDGAFQWSA-N 0 3 231.299 0.858 20 0 BCADHN CCCC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000364938194 385544137 /nfs/dbraw/zinc/54/41/37/385544137.db2.gz SZMUBKJADDUGDL-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN CCCC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000364938183 385544145 /nfs/dbraw/zinc/54/41/45/385544145.db2.gz SZMUBKJADDUGDL-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN Cc1nncn1-c1cccc(NC(=O)[C@H](C)N)c1 ZINC000158058191 385544627 /nfs/dbraw/zinc/54/46/27/385544627.db2.gz ABRONBIXLBFRER-QMMMGPOBSA-N 0 3 245.286 0.861 20 0 BCADHN Cc1nncn1-c1cccc(NC(=O)[C@@H](C)N)c1 ZINC000158058052 385545738 /nfs/dbraw/zinc/54/57/38/385545738.db2.gz ABRONBIXLBFRER-MRVPVSSYSA-N 0 3 245.286 0.861 20 0 BCADHN COCC[C@](C)(O)CNCc1c[nH]nc1C ZINC000172069760 385547464 /nfs/dbraw/zinc/54/74/64/385547464.db2.gz WLISOGKLWLIOOI-NSHDSACASA-N 0 3 227.308 0.595 20 0 BCADHN CCOCCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000364957815 385547530 /nfs/dbraw/zinc/54/75/30/385547530.db2.gz VZTBIXVBMIARSB-HBNTYKKESA-N 0 3 226.320 0.609 20 0 BCADHN NC1(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000644139122 385520549 /nfs/dbraw/zinc/52/05/49/385520549.db2.gz HCSFMPDNMPCGEW-UHFFFAOYSA-N 0 3 217.272 0.720 20 0 BCADHN CC[C@@H](C)OCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644142501 385525803 /nfs/dbraw/zinc/52/58/03/385525803.db2.gz XRPAWNUFVKHKGA-UTLUCORTSA-N 0 3 232.299 0.618 20 0 BCADHN C[C@@H]1C[C@H](C)[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)O1 ZINC000644142798 385526366 /nfs/dbraw/zinc/52/63/66/385526366.db2.gz IKNXEHTWDXQCMP-HPENLJRUSA-N 0 3 244.310 0.616 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cncc(F)c2)C1 ZINC000644815774 385574442 /nfs/dbraw/zinc/57/44/42/385574442.db2.gz QTGGELFNWUNWBH-CABZTGNLSA-N 0 3 249.289 0.997 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3cncc(F)c3)[C@@H]2C1 ZINC000644815775 385574815 /nfs/dbraw/zinc/57/48/15/385574815.db2.gz QTGGELFNWUNWBH-JOYOIKCWSA-N 0 3 249.289 0.997 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cncc(F)c3)[C@H]2C1 ZINC000644815777 385575121 /nfs/dbraw/zinc/57/51/21/385575121.db2.gz QTGGELFNWUNWBH-SKDRFNHKSA-N 0 3 249.289 0.997 20 0 BCADHN CC(C)N(CC(=O)N(C)C1CC1)C[C@H](C)O ZINC000107050265 385550428 /nfs/dbraw/zinc/55/04/28/385550428.db2.gz RCPPDSJURPMJLE-JTQLQIEISA-N 0 3 228.336 0.698 20 0 BCADHN CCN(CC)CC(=O)N(C)Cc1cnccn1 ZINC000172157889 385553335 /nfs/dbraw/zinc/55/33/35/385553335.db2.gz LRCFLPQVGNCALD-UHFFFAOYSA-N 0 3 236.319 0.777 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccc(Cl)cn1 ZINC000158212306 385553444 /nfs/dbraw/zinc/55/34/44/385553444.db2.gz KGKUCOVGYACPSI-ZCFIWIBFSA-N 0 3 213.668 0.698 20 0 BCADHN COC[C@H](N[C@@H]1CCCOC1)[C@H]1CCCO1 ZINC000309379854 385558081 /nfs/dbraw/zinc/55/80/81/385558081.db2.gz AEEAEFGLMUOLPZ-GRYCIOLGSA-N 0 3 229.320 0.949 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000365004390 385561984 /nfs/dbraw/zinc/56/19/84/385561984.db2.gz XSRBSDHNSIPYEH-MWLCHTKSSA-N 0 3 208.305 0.949 20 0 BCADHN 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20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CSC1(C)C ZINC000336684280 385671172 /nfs/dbraw/zinc/67/11/72/385671172.db2.gz JRDZSBYDYQGLAT-SFYZADRCSA-N 0 3 237.390 0.903 20 0 BCADHN COC[C@@H](N[C@H](C)C(=O)NCCF)C1CC1 ZINC000309602373 385737377 /nfs/dbraw/zinc/73/73/77/385737377.db2.gz XXFQBKSARMBPFB-PSASIEDQSA-N 0 3 232.299 0.475 20 0 BCADHN C[C@H](CNc1ncnc2n[nH]cc21)N(C)C ZINC000309602942 385738186 /nfs/dbraw/zinc/73/81/86/385738186.db2.gz XZPPMUXICRTUDY-SSDOTTSWSA-N 0 3 220.280 0.715 20 0 BCADHN CC(C)(CC(N)=O)NCc1ccccn1 ZINC000186235490 385749173 /nfs/dbraw/zinc/74/91/73/385749173.db2.gz XVJWRLRUCBGHQA-UHFFFAOYSA-N 0 3 207.277 0.825 20 0 BCADHN CCc1nc(CN2CC[C@H](CO)[C@@H]2CC)n[nH]1 ZINC000451257926 385757990 /nfs/dbraw/zinc/75/79/90/385757990.db2.gz QOODPFLZBGFGSE-ZJUUUORDSA-N 0 3 238.335 0.960 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000161941691 385787025 /nfs/dbraw/zinc/78/70/25/385787025.db2.gz DDAYPEDCOXXXAB-WCABBAIRSA-N 0 3 214.309 0.391 20 0 BCADHN C[C@H](CSc1nncn1C)N(C)C ZINC000308256579 385762585 /nfs/dbraw/zinc/76/25/85/385762585.db2.gz KZTNPMCJHUOQBZ-SSDOTTSWSA-N 0 3 200.311 0.857 20 0 BCADHN COC(=O)[C@H]1CCN(CCc2ccnn2C)C1 ZINC000230886111 385763048 /nfs/dbraw/zinc/76/30/48/385763048.db2.gz XLUVTALSQMMKGK-JTQLQIEISA-N 0 3 237.303 0.458 20 0 BCADHN Cn1nccc1CCN1CCC[C@@H](CO)C1 ZINC000230886461 385763447 /nfs/dbraw/zinc/76/34/47/385763447.db2.gz LWEKWYJTHSSWTD-LLVKDONJSA-N 0 3 223.320 0.667 20 0 BCADHN Cn1nccc1CCN1CCC[C@H](CO)C1 ZINC000230886469 385763498 /nfs/dbraw/zinc/76/34/98/385763498.db2.gz LWEKWYJTHSSWTD-NSHDSACASA-N 0 3 223.320 0.667 20 0 BCADHN Cc1nc(CCN(C)CCOCCO)cs1 ZINC000282459759 385764125 /nfs/dbraw/zinc/76/41/25/385764125.db2.gz KWSAFROXWGVMOX-UHFFFAOYSA-N 0 3 244.360 0.935 20 0 BCADHN CCN(CCn1ccnc1)[C@@H]1CCNC1=O ZINC000282474918 385764841 /nfs/dbraw/zinc/76/48/41/385764841.db2.gz UYLMNWURXATEEU-SNVBAGLBSA-N 0 3 222.292 0.094 20 0 BCADHN C[C@H](NC(=O)c1cnnn1C)C1=CCN(C)CC1 ZINC000282530186 385768468 /nfs/dbraw/zinc/76/84/68/385768468.db2.gz YSMCISGHTGJOER-VIFPVBQESA-N 0 3 249.318 0.195 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H](O)[C@H](C)C1)N(C)C ZINC000186729217 385787454 /nfs/dbraw/zinc/78/74/54/385787454.db2.gz TVGFYJQAOPNSDA-MXWKQRLJSA-N 0 3 228.336 0.556 20 0 BCADHN CCC[C@@H](O)CN1CC[C@H](OC(=O)N(C)C)C1 ZINC000495869793 385778886 /nfs/dbraw/zinc/77/88/86/385778886.db2.gz RITSBMTYDPPYLL-MNOVXSKESA-N 0 3 244.335 0.920 20 0 BCADHN COC[C@H](O)CNCc1cnc2ccc(C)cn12 ZINC000282746042 385783043 /nfs/dbraw/zinc/78/30/43/385783043.db2.gz URMTXANSDLIBAU-GFCCVEGCSA-N 0 3 249.314 0.740 20 0 BCADHN CS[C@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000308199985 385719344 /nfs/dbraw/zinc/71/93/44/385719344.db2.gz XHHOZEOCBMGGRZ-JGVFFNPUSA-N 0 3 204.339 0.804 20 0 BCADHN CC1(C)CN[C@H]1C(=O)Nc1ccncc1 ZINC000645242637 385719830 /nfs/dbraw/zinc/71/98/30/385719830.db2.gz WTCLAMVREDSVAV-VIFPVBQESA-N 0 3 205.261 0.440 20 0 BCADHN COC[C@@](C)(CC(=O)OC)NC[C@H](C)OC ZINC000309591543 385720512 /nfs/dbraw/zinc/72/05/12/385720512.db2.gz UXJUJQXCPQMRNU-GXSJLCMTSA-N 0 3 233.308 0.579 20 0 BCADHN C[C@@H](N)C(=O)N1CCCO[C@H]2CCC[C@@H]21 ZINC000309592592 385722144 /nfs/dbraw/zinc/72/21/44/385722144.db2.gz HFRTZSCAUINCGF-UTLUCORTSA-N 0 3 212.293 0.504 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCCCOCC1CC1 ZINC000645242976 385722467 /nfs/dbraw/zinc/72/24/67/385722467.db2.gz ZSQVUOACHRSOKI-NSHDSACASA-N 0 3 240.347 0.917 20 0 BCADHN C[C@H](NCC1(S(C)(=O)=O)CC1)[C@H]1CCCO1 ZINC000309595407 385722999 /nfs/dbraw/zinc/72/29/99/385722999.db2.gz WCBULXXCOJWPNF-VHSXEESVSA-N 0 3 247.360 0.721 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H]1CCO ZINC000337610792 385727226 /nfs/dbraw/zinc/72/72/26/385727226.db2.gz WCZGGAXNACTJEU-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN Cc1cn[nH]c1CN[C@@H](CO)[C@H]1CCCO1 ZINC000336710222 385797949 /nfs/dbraw/zinc/79/79/49/385797949.db2.gz ROCUAMGKVVAWNN-WDEREUQCSA-N 0 3 225.292 0.348 20 0 BCADHN Cc1c[nH]nc1CNC[C@]1(O)CCSC1 ZINC000283863525 385799165 /nfs/dbraw/zinc/79/91/65/385799165.db2.gz DYBASCUBNXESQL-SNVBAGLBSA-N 0 3 227.333 0.676 20 0 BCADHN CCCCOCCN(CCO)C[C@@H](C)O ZINC000336711097 385799415 /nfs/dbraw/zinc/79/94/15/385799415.db2.gz UJKZHNYOTFUVSD-LLVKDONJSA-N 0 3 219.325 0.478 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCCC(C)(C)C1 ZINC000112701985 385856493 /nfs/dbraw/zinc/85/64/93/385856493.db2.gz UAEPRXMWOBDMGT-MRVPVSSYSA-N 0 3 227.308 0.692 20 0 BCADHN COC(=O)c1cc(CN2CC[C@](C)(O)C2)c[nH]1 ZINC000271201924 385802194 /nfs/dbraw/zinc/80/21/94/385802194.db2.gz JHARBYZJVMVEOB-LBPRGKRZSA-N 0 3 238.287 0.758 20 0 BCADHN CSC[C@H](CCO)NCc1c(C)cnn1C ZINC000336713094 385803716 /nfs/dbraw/zinc/80/37/16/385803716.db2.gz UBJQVJFGJPZFLU-JTQLQIEISA-N 0 3 243.376 0.932 20 0 BCADHN COC[C@H](O)CCNCc1c(C)nn(C)c1C ZINC000231607819 385806835 /nfs/dbraw/zinc/80/68/35/385806835.db2.gz DQXRMEZKRJHNHE-LLVKDONJSA-N 0 3 241.335 0.524 20 0 BCADHN COC(=O)C1CCN(CC[C@H](C)O)CC1 ZINC000122811323 385807315 /nfs/dbraw/zinc/80/73/15/385807315.db2.gz ZGXMEGUEVLKNFO-VIFPVBQESA-N 0 3 215.293 0.642 20 0 BCADHN O=C(CO)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000283083603 385808478 /nfs/dbraw/zinc/80/84/78/385808478.db2.gz BETZGFVIWYQZAT-GFCCVEGCSA-N 0 3 234.299 0.369 20 0 BCADHN C[C@H](O)CN(CCO)C[C@H]1CC[C@@H](C)O1 ZINC000336714249 385809728 /nfs/dbraw/zinc/80/97/28/385809728.db2.gz WAOWXJPBOCDUDT-HBNTYKKESA-N 0 3 217.309 0.229 20 0 BCADHN CO[C@H](C)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000261528692 385817753 /nfs/dbraw/zinc/81/77/53/385817753.db2.gz UCHGCDCCWNBFHB-HRDYMLBCSA-N 0 3 200.282 0.230 20 0 BCADHN CN(CCNC(=O)C=Cc1c[nH]cn1)C1CC1 ZINC000283357310 385817842 /nfs/dbraw/zinc/81/78/42/385817842.db2.gz CZFZBGFPVCTEAD-GORDUTHDSA-N 0 3 234.303 0.633 20 0 BCADHN CC[C@H](O)CNCc1c(C)nn(C)c1N(C)C ZINC000643369463 385827150 /nfs/dbraw/zinc/82/71/50/385827150.db2.gz RJGGAXWZIPERSE-JTQLQIEISA-N 0 3 240.351 0.655 20 0 BCADHN CO[C@H](CN)C(=O)Nc1nccn1CC(C)C ZINC000261891923 385832347 /nfs/dbraw/zinc/83/23/47/385832347.db2.gz VIPSJQXZEFOYOW-SECBINFHSA-N 0 3 240.307 0.451 20 0 BCADHN CN(CC1(C)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644836023 385837092 /nfs/dbraw/zinc/83/70/92/385837092.db2.gz TVOMSTASKAXWBG-SNVBAGLBSA-N 0 3 246.376 0.752 20 0 BCADHN CN(CC1(C)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644836022 385837420 /nfs/dbraw/zinc/83/74/20/385837420.db2.gz TVOMSTASKAXWBG-JTQLQIEISA-N 0 3 246.376 0.752 20 0 BCADHN CCN(CCOC)CCc1ccnn1C ZINC000283856059 385837633 /nfs/dbraw/zinc/83/76/33/385837633.db2.gz HHXIBSSFHKAFAE-UHFFFAOYSA-N 0 3 211.309 0.931 20 0 BCADHN CO[C@H](C[NH3+])CC(=O)Nc1ccccc1[O-] ZINC000232120990 385837831 /nfs/dbraw/zinc/83/78/31/385837831.db2.gz OTIWTPHPBXOQCG-QMMMGPOBSA-N 0 3 224.260 0.695 20 0 BCADHN CO[C@@H](C[NH3+])CC(=O)Nc1ccccc1[O-] ZINC000232120988 385837982 /nfs/dbraw/zinc/83/79/82/385837982.db2.gz OTIWTPHPBXOQCG-MRVPVSSYSA-N 0 3 224.260 0.695 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)C=Cc2c[nH]cn2)C1 ZINC000283898039 385838184 /nfs/dbraw/zinc/83/81/84/385838184.db2.gz IYSSEHNMYQBDOU-PGLGOXFNSA-N 0 3 234.303 0.585 20 0 BCADHN CO[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000262229800 385839246 /nfs/dbraw/zinc/83/92/46/385839246.db2.gz NSPLFCMVIXSVBK-WCFLWFBJSA-N 0 3 248.326 0.975 20 0 BCADHN Cc1nn(C)cc1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644836216 385841629 /nfs/dbraw/zinc/84/16/29/385841629.db2.gz SLARPQSFMDGEMJ-GDNZZTSVSA-N 0 3 221.304 0.399 20 0 BCADHN Nc1cc(CN2CCC[C@H](O)C2)ccn1 ZINC000052729607 385842227 /nfs/dbraw/zinc/84/22/27/385842227.db2.gz DGSZDGUJGRIVSV-JTQLQIEISA-N 0 3 207.277 0.621 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NCCc1ncc[nH]1 ZINC000638111079 385843355 /nfs/dbraw/zinc/84/33/55/385843355.db2.gz BWEMLEWGASIOCL-JTQLQIEISA-N 0 3 238.335 0.832 20 0 BCADHN O=C(C=Cc1c[nH]cn1)N1CCN2CCC[C@H]2C1 ZINC000283969036 385843480 /nfs/dbraw/zinc/84/34/80/385843480.db2.gz MDJVKTXBUHCGCX-PCAWENJQSA-N 0 3 246.314 0.730 20 0 BCADHN CC[C@H](C(=O)N1CCO[C@H](C)[C@@H]1C)N(C)C ZINC000413640072 385847315 /nfs/dbraw/zinc/84/73/15/385847315.db2.gz PMYLYLQBGIFFKN-HBNTYKKESA-N 0 3 228.336 0.962 20 0 BCADHN Cn1ncc(C(=O)NC[C@H]2CCN(C3CC3)C2)n1 ZINC000284057526 385847470 /nfs/dbraw/zinc/84/74/70/385847470.db2.gz PWJRNYLSPXICOZ-SECBINFHSA-N 0 3 249.318 0.029 20 0 BCADHN CC[C@@H](C(=O)N[C@@]1(C)CCOC1)N(C)C ZINC000413641196 385847676 /nfs/dbraw/zinc/84/76/76/385847676.db2.gz MYTULQBYCYOZET-ONGXEEELSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](CNC(=O)N1CCO[C@H](CF)C1)N(C)C ZINC000413587275 385847737 /nfs/dbraw/zinc/84/77/37/385847737.db2.gz FHKZCMQRVCGSEJ-VHSXEESVSA-N 0 3 247.314 0.316 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)CCCC1CC1 ZINC000643235241 385848188 /nfs/dbraw/zinc/84/81/88/385848188.db2.gz BCRZECYTNFWZFM-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@H]1CO)N(C)C ZINC000413651301 385849495 /nfs/dbraw/zinc/84/94/95/385849495.db2.gz XMWYEJRXKVMNCZ-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000307828670 385850581 /nfs/dbraw/zinc/85/05/81/385850581.db2.gz DSKCJCDPMCHEKM-WDEREUQCSA-N 0 3 228.336 0.855 20 0 BCADHN C[C@@H](CNC(=O)c1ccsn1)N(C)C ZINC000294450593 385851119 /nfs/dbraw/zinc/85/11/19/385851119.db2.gz RNSDPOKILJDTQF-ZETCQYMHSA-N 0 3 213.306 0.823 20 0 BCADHN C[C@H](CNC(=O)c1cnn(C)n1)N(C)C1CC1 ZINC000284120042 385852698 /nfs/dbraw/zinc/85/26/98/385852698.db2.gz VKNRPHZRXYOFAK-MRVPVSSYSA-N 0 3 237.307 0.028 20 0 BCADHN CN1CC=C(CNC(=O)c2csnn2)CC1 ZINC000271826828 385853243 /nfs/dbraw/zinc/85/32/43/385853243.db2.gz GUEQOOMJQUSSCC-UHFFFAOYSA-N 0 3 238.316 0.530 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)C=Cc1c[nH]cn1 ZINC000284156389 385854077 /nfs/dbraw/zinc/85/40/77/385854077.db2.gz WYJGSYWPBUVEKN-BTDICHCPSA-N 0 3 248.330 0.976 20 0 BCADHN CSCCC(=O)NC[C@@H](C)N(C)C ZINC000308290813 385789066 /nfs/dbraw/zinc/78/90/66/385789066.db2.gz DSGXNCKVYIXNDT-MRVPVSSYSA-N 0 3 204.339 0.806 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1CO)N(C)C ZINC000413667188 385856030 /nfs/dbraw/zinc/85/60/30/385856030.db2.gz HSROTZVRUJHLMZ-UTUOFQBUSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccncc1 ZINC000071521338 385794205 /nfs/dbraw/zinc/79/42/05/385794205.db2.gz OBXRFQXQQROACM-VHSXEESVSA-N 0 3 219.288 0.904 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cccnc1 ZINC000071521330 385794533 /nfs/dbraw/zinc/79/45/33/385794533.db2.gz UQIADXOQHFZVAS-VHSXEESVSA-N 0 3 219.288 0.904 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H](CO)CC1CCC1 ZINC000336741296 385856264 /nfs/dbraw/zinc/85/62/64/385856264.db2.gz NCJYHPBKWCKDAG-GXSJLCMTSA-N 0 3 249.376 0.560 20 0 BCADHN Cn1ccc(CN2CCC[C@H](OCCO)C2)c1 ZINC000271177806 385795819 /nfs/dbraw/zinc/79/58/19/385795819.db2.gz KYNQKYWGZDOXGV-ZDUSSCGKSA-N 0 3 238.331 0.998 20 0 BCADHN Cn1ccc(CN2CCC[C@@H](OCCO)C2)c1 ZINC000271177804 385795841 /nfs/dbraw/zinc/79/58/41/385795841.db2.gz KYNQKYWGZDOXGV-CYBMUJFWSA-N 0 3 238.331 0.998 20 0 BCADHN Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N)cc1 ZINC000232715745 385887982 /nfs/dbraw/zinc/88/79/82/385887982.db2.gz CXWIKPFFDURPQD-SNVBAGLBSA-N 0 3 249.314 0.739 20 0 BCADHN COC1([C@@H](C)NC(=O)NCCN(C)C)CCC1 ZINC000413813898 385889449 /nfs/dbraw/zinc/88/94/49/385889449.db2.gz IICWMHMLULGCMS-SNVBAGLBSA-N 0 3 243.351 0.805 20 0 BCADHN CC1(C)CNCCN1C(=O)Cc1cncnc1 ZINC000647841332 385889639 /nfs/dbraw/zinc/88/96/39/385889639.db2.gz LOWLWAZXPAQNRX-UHFFFAOYSA-N 0 3 234.303 0.230 20 0 BCADHN CC1(C)CNCCN1C(=O)[C@@H](N)CC(F)F ZINC000647841274 385889715 /nfs/dbraw/zinc/88/97/15/385889715.db2.gz FSZVOFMRHSLBJG-ZETCQYMHSA-N 0 3 235.278 0.179 20 0 BCADHN CCCCNCc1cn(CC(=O)OC)nn1 ZINC000294758891 385891549 /nfs/dbraw/zinc/89/15/49/385891549.db2.gz LNJYHUQUEWQDFX-UHFFFAOYSA-N 0 3 226.280 0.341 20 0 BCADHN COC(=O)CCN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000123577104 385893847 /nfs/dbraw/zinc/89/38/47/385893847.db2.gz PHAHSBURRRCYAU-UWVGGRQHSA-N 0 3 214.309 0.574 20 0 BCADHN CCN1CC[C@H](NC(=O)NC[C@@H](C)CO)C1 ZINC000413825976 385895115 /nfs/dbraw/zinc/89/51/15/385895115.db2.gz ACOATKHASOWFEX-ZJUUUORDSA-N 0 3 229.324 0.008 20 0 BCADHN CC[C@@H](CO)N(C)C(=O)[C@H](CC)N(C)C ZINC000413846722 385898645 /nfs/dbraw/zinc/89/86/45/385898645.db2.gz UDPKPIWBNRVWQT-UWVGGRQHSA-N 0 3 216.325 0.556 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC000413840129 385904809 /nfs/dbraw/zinc/90/48/09/385904809.db2.gz DLINGZWGINVTQI-OUAUKWLOSA-N 0 3 244.335 0.247 20 0 BCADHN CNC(=O)N[C@@H]1CCN(CC[C@@H]2CCCO2)C1 ZINC000408272923 385906515 /nfs/dbraw/zinc/90/65/15/385906515.db2.gz LALUDARXWLLRCJ-MNOVXSKESA-N 0 3 241.335 0.559 20 0 BCADHN CC(C)N(C)CC(=O)NCc1c[nH]c(=O)[nH]1 ZINC000647741346 385909370 /nfs/dbraw/zinc/90/93/70/385909370.db2.gz ZTSQSRCVXLBHEF-UHFFFAOYSA-N 0 3 226.280 0.072 20 0 BCADHN Cc1nc(C(=O)N2C[C@H](C)NC[C@@H]2C)c[nH]1 ZINC000272515869 385909534 /nfs/dbraw/zinc/90/95/34/385909534.db2.gz HCKDIPZFALXMFV-YUMQZZPRSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1ncc(C(=O)N2C[C@H](C)NC[C@@H]2C)[nH]1 ZINC000272515869 385909538 /nfs/dbraw/zinc/90/95/38/385909538.db2.gz HCKDIPZFALXMFV-YUMQZZPRSA-N 0 3 222.292 0.541 20 0 BCADHN O=C(Nc1cccc2c1CCN2)[C@H]1C[C@H](O)CN1 ZINC000647855796 385911611 /nfs/dbraw/zinc/91/16/11/385911611.db2.gz CTQCKIPYIMAQBN-QPUJVOFHSA-N 0 3 247.298 0.316 20 0 BCADHN COC(=O)CCN1CCC[C@@](C)(O)C1 ZINC000122331222 385912375 /nfs/dbraw/zinc/91/23/75/385912375.db2.gz YOVXTZUBJHGPQR-SNVBAGLBSA-N 0 3 201.266 0.396 20 0 BCADHN COC(=O)CCCN1CCC[C@](C)(O)C1 ZINC000122330535 385912944 /nfs/dbraw/zinc/91/29/44/385912944.db2.gz JTXJBXTULJQJIE-NSHDSACASA-N 0 3 215.293 0.786 20 0 BCADHN CN(C)c1ccncc1CN[C@H]1C[C@@H](O)C1 ZINC000294904176 385914723 /nfs/dbraw/zinc/91/47/23/385914723.db2.gz RUNMNIAUNCZXNV-PHIMTYICSA-N 0 3 221.304 0.761 20 0 BCADHN CCc1cc(C(=O)N2C[C@H](C)NC[C@H]2C)[nH]n1 ZINC000272633281 385919838 /nfs/dbraw/zinc/91/98/38/385919838.db2.gz WONQRPQYOWQOEX-DTWKUNHWSA-N 0 3 236.319 0.795 20 0 BCADHN CCc1cc(C(=O)N2C[C@H](C)NC[C@H]2C)n[nH]1 ZINC000272633281 385919841 /nfs/dbraw/zinc/91/98/41/385919841.db2.gz WONQRPQYOWQOEX-DTWKUNHWSA-N 0 3 236.319 0.795 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(NC)nc1 ZINC000294941574 385922036 /nfs/dbraw/zinc/92/20/36/385922036.db2.gz GWQRLLBAKUUSQN-QMMMGPOBSA-N 0 3 208.265 0.799 20 0 BCADHN Cc1ncc(C(=O)N[C@H]2CNCCC2(F)F)[nH]1 ZINC000335034043 385922997 /nfs/dbraw/zinc/92/29/97/385922997.db2.gz UCSOQMRCOOPUBZ-QMMMGPOBSA-N 0 3 244.245 0.445 20 0 BCADHN CCn1ccnc1C(=O)N[C@H]1CCN(CC)C1 ZINC000414005201 385923164 /nfs/dbraw/zinc/92/31/64/385923164.db2.gz MBJDAMZVXAHCME-JTQLQIEISA-N 0 3 236.319 0.727 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@H](CO)C(C)C)C1 ZINC000414005355 385923230 /nfs/dbraw/zinc/92/32/30/385923230.db2.gz NCIWKIICOPCRNZ-WDEREUQCSA-N 0 3 228.336 0.461 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@H]2CCC[C@@H](O)C2)C1 ZINC000414006099 385923466 /nfs/dbraw/zinc/92/34/66/385923466.db2.gz OSTQGXQKHMWOKI-SDDRHHMPSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1cc(C(=O)NCC2=CCN(C)CC2)n(C)n1 ZINC000271892233 385859641 /nfs/dbraw/zinc/85/96/41/385859641.db2.gz OPUPBAXMXRULQZ-UHFFFAOYSA-N 0 3 248.330 0.720 20 0 BCADHN CC[C@@H](Cn1cncn1)NCc1cnn(C)c1 ZINC000340469558 385860111 /nfs/dbraw/zinc/86/01/11/385860111.db2.gz WDLDEUCVEVEXAQ-NSHDSACASA-N 0 3 234.307 0.580 20 0 BCADHN Cn1cc(CC(=O)NCC2=CCN(C)CC2)cn1 ZINC000271931885 385860685 /nfs/dbraw/zinc/86/06/85/385860685.db2.gz VKQRDPZRTNYZQQ-UHFFFAOYSA-N 0 3 248.330 0.341 20 0 BCADHN CN1CC=C(CNC(=O)[C@H]2CCCO2)CC1 ZINC000271929870 385860957 /nfs/dbraw/zinc/86/09/57/385860957.db2.gz VBAMBXCLZCCDHR-LLVKDONJSA-N 0 3 224.304 0.544 20 0 BCADHN CO[C@H](C)CN(C)C[C@@H](O)COC(C)C ZINC000336720227 385862432 /nfs/dbraw/zinc/86/24/32/385862432.db2.gz ZQMOVVPBIATJIV-GHMZBOCLSA-N 0 3 219.325 0.739 20 0 BCADHN CC[C@H](C(=O)N[C@@](C)(CC)CCO)N(C)C ZINC000413698853 385863883 /nfs/dbraw/zinc/86/38/83/385863883.db2.gz QGXVOHPEAHDWAN-PWSUYJOCSA-N 0 3 230.352 0.994 20 0 BCADHN Cc1sccc1CN1C[C@@H](O)C[C@H]1CO ZINC000294555602 385866691 /nfs/dbraw/zinc/86/66/91/385866691.db2.gz FNLGALBUWOYFBX-QWRGUYRKSA-N 0 3 227.329 0.984 20 0 BCADHN O=C1CCN([C@@H]2Cc3ccccc3[C@H]2O)CCN1 ZINC000272005285 385867731 /nfs/dbraw/zinc/86/77/31/385867731.db2.gz SEOBIUSQBZSYIP-TZMCWYRMSA-N 0 3 246.310 0.467 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccc2cncn2c1 ZINC000284425868 385869222 /nfs/dbraw/zinc/86/92/22/385869222.db2.gz SRYRLZWPPPBZOX-UHFFFAOYSA-N 0 3 246.314 0.968 20 0 BCADHN Cn1ncc(C(=O)NC2CCN(C3CC3)CC2)n1 ZINC000284458118 385871251 /nfs/dbraw/zinc/87/12/51/385871251.db2.gz IZAKUGFOXDZEDT-UHFFFAOYSA-N 0 3 249.318 0.172 20 0 BCADHN O=C1CCCN1CCN[C@H](CO)c1ccccc1 ZINC000272092328 385875662 /nfs/dbraw/zinc/87/56/62/385875662.db2.gz JRVSPQLASOBXEH-CYBMUJFWSA-N 0 3 248.326 0.932 20 0 BCADHN Cn1nccc1CCN1CCc2n[nH]cc2C1 ZINC000284557032 385876174 /nfs/dbraw/zinc/87/61/74/385876174.db2.gz YBOZHIWLEULVLQ-UHFFFAOYSA-N 0 3 231.303 0.744 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000644841180 385877954 /nfs/dbraw/zinc/87/79/54/385877954.db2.gz OARTUIMHWUOHRR-AAEUAGOBSA-N 0 3 234.347 0.864 20 0 BCADHN CCN(CCCO[C@@H]1CCCCO1)CC(N)=O ZINC000338356417 385977039 /nfs/dbraw/zinc/97/70/39/385977039.db2.gz KIIGFAWTRXNGDE-GFCCVEGCSA-N 0 3 244.335 0.727 20 0 BCADHN CN1CCC(C(=O)Nc2nncn2C2CC2)CC1 ZINC000285915029 385979000 /nfs/dbraw/zinc/97/90/00/385979000.db2.gz SOKQZTPOZLPFBP-UHFFFAOYSA-N 0 3 249.318 0.893 20 0 BCADHN O[C@H](CN1CC(C2CCC2)C1)Cn1cccn1 ZINC000414131324 385978983 /nfs/dbraw/zinc/97/89/83/385978983.db2.gz ZDFOPPBGYCIKSQ-CYBMUJFWSA-N 0 3 235.331 0.976 20 0 BCADHN C[C@@H](CCO)CNC(=O)C12CCCN1CCC2 ZINC000355238302 385982850 /nfs/dbraw/zinc/98/28/50/385982850.db2.gz YMBDWVMLBHAIBE-NSHDSACASA-N 0 3 240.347 0.750 20 0 BCADHN COC(C)(C)CCN1C[C@@H]2COC[C@H](C1)O2 ZINC000338386570 385986439 /nfs/dbraw/zinc/98/64/39/385986439.db2.gz ZYJXIOVIWOPFKA-PHIMTYICSA-N 0 3 229.320 0.901 20 0 BCADHN C[C@H](NC(=O)c1ccnn1C)C1=CCN(C)CC1 ZINC000272769085 385932635 /nfs/dbraw/zinc/93/26/35/385932635.db2.gz QNJCUYIPJFNVEZ-JTQLQIEISA-N 0 3 248.330 0.800 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCCCC[C@H]1O ZINC000251003265 385933355 /nfs/dbraw/zinc/93/33/55/385933355.db2.gz QOICPVACBZIEFQ-GMTAPVOTSA-N 0 3 249.376 0.703 20 0 BCADHN CC[C@H](N)C(=O)NCC[C@@H](O)C(C)C ZINC000336746387 385935843 /nfs/dbraw/zinc/93/58/43/385935843.db2.gz BWSZKYSAGQWOMU-DTWKUNHWSA-N 0 3 202.298 0.247 20 0 BCADHN C[C@H](NC(=O)c1ccnnc1)C1=CCN(C)CC1 ZINC000272815098 385937850 /nfs/dbraw/zinc/93/78/50/385937850.db2.gz WPLKLAKXQWOGEX-JTQLQIEISA-N 0 3 246.314 0.857 20 0 BCADHN CCn1ncnc1CN1CCNC[C@](C)(F)C1 ZINC000647981981 385941431 /nfs/dbraw/zinc/94/14/31/385941431.db2.gz KARBWEIZUSXMEQ-NSHDSACASA-N 0 3 241.314 0.431 20 0 BCADHN C[C@@H](O)CNCc1cnn(CC(F)F)c1 ZINC000292642845 385941740 /nfs/dbraw/zinc/94/17/40/385941740.db2.gz KJFQZSITJHBONM-SSDOTTSWSA-N 0 3 219.235 0.619 20 0 BCADHN CN1CC=C(CNC(=O)[C@]2(C)CCOC2)CC1 ZINC000335045906 385942444 /nfs/dbraw/zinc/94/24/44/385942444.db2.gz BJLOFLSOHFJQKE-CYBMUJFWSA-N 0 3 238.331 0.791 20 0 BCADHN Cc1nc(CN2CCNC[C@@](C)(F)C2)no1 ZINC000647981979 385942616 /nfs/dbraw/zinc/94/26/16/385942616.db2.gz JTKAXZLYXLXHKM-SNVBAGLBSA-N 0 3 228.271 0.511 20 0 BCADHN OC[C@@H]1CCCN1C[C@H](O)CC(F)(F)F ZINC000189115948 385945828 /nfs/dbraw/zinc/94/58/28/385945828.db2.gz PKYSFNPWNWIFSM-JGVFFNPUSA-N 0 3 227.226 0.756 20 0 BCADHN COC1(C(=O)N2CCN3CCC[C@@H]3C2)CCC1 ZINC000335050932 385947309 /nfs/dbraw/zinc/94/73/09/385947309.db2.gz DYJNJTRSAFLSTM-LLVKDONJSA-N 0 3 238.331 0.862 20 0 BCADHN Cc1n[nH]cc1CN[C@@H]1CCC(=O)NC1(C)C ZINC000335055221 385953640 /nfs/dbraw/zinc/95/36/40/385953640.db2.gz GRXHLDLQPIVHGF-SNVBAGLBSA-N 0 3 236.319 0.865 20 0 BCADHN CC(C)[C@H]1CCN(C(=O)CN2CCNCC2)C1 ZINC000159568160 385956768 /nfs/dbraw/zinc/95/67/68/385956768.db2.gz JABVRSXIFGEDAL-LBPRGKRZSA-N 0 3 239.363 0.396 20 0 BCADHN CCCn1cc(C(=O)NC[C@@H](C)N(C)C)cn1 ZINC000272988565 385958663 /nfs/dbraw/zinc/95/86/63/385958663.db2.gz SJIRJDGRGBPRSC-SNVBAGLBSA-N 0 3 238.335 0.973 20 0 BCADHN C[C@@H]1COc2ccccc2CN1C(=O)CN ZINC000335012834 385968859 /nfs/dbraw/zinc/96/88/59/385968859.db2.gz JMOPCYCJVLYFGP-SECBINFHSA-N 0 3 220.272 0.755 20 0 BCADHN CCNC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000309101914 385969083 /nfs/dbraw/zinc/96/90/83/385969083.db2.gz JUBPEJOHVATDKO-JTQLQIEISA-N 0 3 211.309 0.742 20 0 BCADHN C[C@@H](O)CCN1CCN(CC[C@@H](C)O)[C@H](C)C1 ZINC000425416544 385994552 /nfs/dbraw/zinc/99/45/52/385994552.db2.gz LKRISOJDCSOGSL-JHJVBQTASA-N 0 3 244.379 0.534 20 0 BCADHN CN(CCN(C)C1CC1)c1ccc2nncn2n1 ZINC000295139452 385974222 /nfs/dbraw/zinc/97/42/22/385974222.db2.gz ZIHJVABPGBLADN-UHFFFAOYSA-N 0 3 246.318 0.655 20 0 BCADHN CCCCN1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000365282829 385997973 /nfs/dbraw/zinc/99/79/73/385997973.db2.gz NYNZETSZRSKEHQ-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN C[C@H](CNC(=O)Nc1ccon1)N(C)C ZINC000273403653 385998098 /nfs/dbraw/zinc/99/80/98/385998098.db2.gz MWKJNUWPCLPEGP-SSDOTTSWSA-N 0 3 212.253 0.746 20 0 BCADHN CCN(C)CCNCc1nccnc1OC ZINC000295243625 385999385 /nfs/dbraw/zinc/99/93/85/385999385.db2.gz SYVANGIILRJLFL-UHFFFAOYSA-N 0 3 224.308 0.527 20 0 BCADHN CCN(CCNC(=O)CSC)C1CC1 ZINC000338434999 385999868 /nfs/dbraw/zinc/99/98/68/385999868.db2.gz DYYIDHRSBDMJLZ-UHFFFAOYSA-N 0 3 216.350 0.950 20 0 BCADHN COC[C@H](C)CNC(=O)C1CCN(C)CC1 ZINC000345117935 386002661 /nfs/dbraw/zinc/00/26/61/386002661.db2.gz XICQWFSNQNJOJS-SNVBAGLBSA-N 0 3 228.336 0.727 20 0 BCADHN Cc1n[nH]cc1CNCCC[S@@](C)=O ZINC000124220796 386002962 /nfs/dbraw/zinc/00/29/62/386002962.db2.gz DGCOSZFXJATNKJ-AWEZNQCLSA-N 0 3 215.322 0.576 20 0 BCADHN C[C@H](NC[C@]1(O)CCN(C)C1)c1nccs1 ZINC000336750384 386003967 /nfs/dbraw/zinc/00/39/67/386003967.db2.gz UUJLVSOLAXPFKC-GXSJLCMTSA-N 0 3 241.360 0.860 20 0 BCADHN Cc1nc(C)c(CN2C[C@H](O)C[C@H]2CO)s1 ZINC000273471802 386005805 /nfs/dbraw/zinc/00/58/05/386005805.db2.gz JIRMJMKCNBLNOO-VHSXEESVSA-N 0 3 242.344 0.687 20 0 BCADHN C[C@H](O)CN(CCO)CCc1ccccn1 ZINC000309394588 386007407 /nfs/dbraw/zinc/00/74/07/386007407.db2.gz IFNODSPTPJTVRP-NSHDSACASA-N 0 3 224.304 0.299 20 0 BCADHN C[C@@](CO)(NCCO)c1cccc(O)c1 ZINC000336769871 386008064 /nfs/dbraw/zinc/00/80/64/386008064.db2.gz WBTYDXYWPVHXFL-NSHDSACASA-N 0 3 211.261 0.182 20 0 BCADHN C[C@@H](O)CCN[C@@H](C(N)=O)C(C)(C)C ZINC000425416213 386009116 /nfs/dbraw/zinc/00/91/16/386009116.db2.gz KTFCJKLIXXUGAY-SFYZADRCSA-N 0 3 202.298 0.247 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)CN(C)C(C)C ZINC000338457259 386009122 /nfs/dbraw/zinc/00/91/22/386009122.db2.gz SOXBPIJMDKYYMV-SECBINFHSA-N 0 3 230.308 0.252 20 0 BCADHN CC(C)N(C[C@H](C)O)C[C@@H]1CCS(=O)(=O)C1 ZINC000408399347 386011147 /nfs/dbraw/zinc/01/11/47/386011147.db2.gz GVWHMPDOTOXHDQ-QWRGUYRKSA-N 0 3 249.376 0.512 20 0 BCADHN CC1(C)CN[C@H]1C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000647983770 386014124 /nfs/dbraw/zinc/01/41/24/386014124.db2.gz AIHQEUKBSGLATA-QMMMGPOBSA-N 0 3 236.275 0.050 20 0 BCADHN CC[C@H](C(=O)NCC1(CCO)CC1)N(C)C ZINC000188012066 386019106 /nfs/dbraw/zinc/01/91/06/386019106.db2.gz GSUBVKOQKBNYHI-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CN(C)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000335070506 386019402 /nfs/dbraw/zinc/01/94/02/386019402.db2.gz BPTZWSNHRCPQJQ-VHSXEESVSA-N 0 3 211.309 0.694 20 0 BCADHN CCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000335071856 386021657 /nfs/dbraw/zinc/02/16/57/386021657.db2.gz FBYPPQOXYRLGFD-VHSXEESVSA-N 0 3 211.309 0.742 20 0 BCADHN CO[C@@](C)(CN[C@H]1CCCNC1=O)C1CC1 ZINC000309657306 386022085 /nfs/dbraw/zinc/02/20/85/386022085.db2.gz QIJDREKSUPXPGO-JQWIXIFHSA-N 0 3 226.320 0.670 20 0 BCADHN CC(C)=CCN1C(C)C(=O)N(C)S1(=O)=O ZINC000295421125 386028829 /nfs/dbraw/zinc/02/88/29/386028829.db2.gz UFMCTFLKCMQOLT-MRVPVSSYSA-N 0 3 232.305 0.360 20 0 BCADHN CC(C)=CCN1C(C)C(=O)N(C)S1(=O)=O ZINC000295421129 386029426 /nfs/dbraw/zinc/02/94/26/386029426.db2.gz UFMCTFLKCMQOLT-QMMMGPOBSA-N 0 3 232.305 0.360 20 0 BCADHN Cc1ncc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)[nH]1 ZINC000335063172 386031710 /nfs/dbraw/zinc/03/17/10/386031710.db2.gz OUPPQPAPFJJSQL-WCBMZHEXSA-N 0 3 236.319 0.931 20 0 BCADHN C[C@H](CO)[C@H](C)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000425430246 386032283 /nfs/dbraw/zinc/03/22/83/386032283.db2.gz DVEPZKBDCIWXNU-VWYCJHECSA-N 0 3 242.363 0.992 20 0 BCADHN CO[C@@H](CN[C@@H](CO)c1cnn(C)c1)C1CC1 ZINC000425430378 386033134 /nfs/dbraw/zinc/03/31/34/386033134.db2.gz FEBTVJJTYIFKPY-RYUDHWBXSA-N 0 3 239.319 0.468 20 0 BCADHN CN(C)C(=O)CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000334431402 386033519 /nfs/dbraw/zinc/03/35/19/386033519.db2.gz KPHDHXAMQNZLNB-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN CC[C@@]1(CO)CCCN1CC(=O)N(C)C1CC1 ZINC000189614333 386035501 /nfs/dbraw/zinc/03/55/01/386035501.db2.gz PKOAPRCUYCMVKM-ZDUSSCGKSA-N 0 3 240.347 0.844 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCn1cnnc1C ZINC000390897491 386036155 /nfs/dbraw/zinc/03/61/55/386036155.db2.gz QSEICPIZHWBOLI-LLVKDONJSA-N 0 3 239.323 0.220 20 0 BCADHN COCCNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000335073969 386037160 /nfs/dbraw/zinc/03/71/60/386037160.db2.gz TVUSPZAOWDMDLL-WDEREUQCSA-N 0 3 241.335 0.368 20 0 BCADHN COCC[C@H](C)NCc1ccc(C(N)=O)nc1 ZINC000345170249 386038272 /nfs/dbraw/zinc/03/82/72/386038272.db2.gz BBMQYOISRIOVLX-VIFPVBQESA-N 0 3 237.303 0.695 20 0 BCADHN CC[C@]1(CO)CCCN1CC(=O)N1CCCC1 ZINC000189662283 386057249 /nfs/dbraw/zinc/05/72/49/386057249.db2.gz WZDYGSYJWOPYMF-CYBMUJFWSA-N 0 3 240.347 0.846 20 0 BCADHN COCCNC(=O)C1(NC2CCCC2)CC1 ZINC000414203477 386040871 /nfs/dbraw/zinc/04/08/71/386040871.db2.gz GSGUVDSNDUDGPU-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN COC[C@@H](O)CN1CCC(c2cn[nH]c2)CC1 ZINC000367775131 386043733 /nfs/dbraw/zinc/04/37/33/386043733.db2.gz ZEDHIOFYERGMEA-LBPRGKRZSA-N 0 3 239.319 0.596 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@@H](O)CC1)N(C)C ZINC000334439223 386047428 /nfs/dbraw/zinc/04/74/28/386047428.db2.gz UOAJNBIPCPIWCL-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)[C@@H]1CCCO1 ZINC000162223926 386057747 /nfs/dbraw/zinc/05/77/47/386057747.db2.gz XORARXMVNLHKOU-DCAQKATOSA-N 0 3 249.376 0.967 20 0 BCADHN CN(CCc1ccnn1C)CCc1cnccn1 ZINC000338563890 386052747 /nfs/dbraw/zinc/05/27/47/386052747.db2.gz CJIWTXRXBVLDCN-UHFFFAOYSA-N 0 3 245.330 0.927 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1CCCN1CCCC1=O ZINC000643254962 385996154 /nfs/dbraw/zinc/99/61/54/385996154.db2.gz WBKSCWXSQWSWLM-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN 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ZINC000338732318 386117744 /nfs/dbraw/zinc/11/77/44/386117744.db2.gz FBZIIRKMQAQDJT-VXGBXAGGSA-N 0 3 248.330 0.776 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cnc(C)nc1 ZINC000345839174 386121860 /nfs/dbraw/zinc/12/18/60/386121860.db2.gz GIZLEOVZGUZSHN-VXGBXAGGSA-N 0 3 248.330 0.789 20 0 BCADHN CN(CCC(N)=O)C[C@@H](O)c1ccccc1F ZINC000286630576 386061183 /nfs/dbraw/zinc/06/11/83/386061183.db2.gz YGRJPBJELOTYFU-LLVKDONJSA-N 0 3 240.278 0.666 20 0 BCADHN CO[C@@H](C)CN(C)C(=O)/C=C/CN(C)C ZINC000286646299 386061289 /nfs/dbraw/zinc/06/12/89/386061289.db2.gz WCRBBAJWKCFCKF-FGEFZZPRSA-N 0 3 214.309 0.598 20 0 BCADHN C[C@H](CCO)NC(=O)N[C@H](C)CN(C)C ZINC000353495939 386062217 /nfs/dbraw/zinc/06/22/17/386062217.db2.gz AXBWLVGOOSXFMK-RKDXNWHRSA-N 0 3 217.313 0.007 20 0 BCADHN O=C(c1cc(C2CC2)on1)N1CCCNCC1 ZINC000262474724 386063139 /nfs/dbraw/zinc/06/31/39/386063139.db2.gz MGASAPCGWJQVSR-UHFFFAOYSA-N 0 3 235.287 0.988 20 0 BCADHN C[C@@H]1CN(CCc2cnn(C)c2)[C@@H](C)CN1C ZINC000335072951 386065520 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248.326 0.760 20 0 BCADHN C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)C ZINC000286966595 386086638 /nfs/dbraw/zinc/08/66/38/386086638.db2.gz BCGVDXXZONPCNA-QMMMGPOBSA-N 0 3 244.726 0.603 20 0 BCADHN CCNC(=O)CC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345282589 386088280 /nfs/dbraw/zinc/08/82/80/386088280.db2.gz GBAHATZLIWBZGP-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN C[C@@H](CO)N(C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000338654816 386091176 /nfs/dbraw/zinc/09/11/76/386091176.db2.gz ZNJRJOSFXBJGBA-OUAUKWLOSA-N 0 3 243.351 0.491 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)C ZINC000408331231 386096570 /nfs/dbraw/zinc/09/65/70/386096570.db2.gz WBNOJLGOZJIMIM-ZJUUUORDSA-N 0 3 241.335 0.051 20 0 BCADHN CCSCCN(CCO)C[C@H](C)O ZINC000308185920 386096697 /nfs/dbraw/zinc/09/66/97/386096697.db2.gz FNNILRGGIYOFKP-VIFPVBQESA-N 0 3 207.339 0.415 20 0 BCADHN C[NH+]1CCC(CNC(=O)c2cncc([O-])c2)CC1 ZINC000111739721 386096838 /nfs/dbraw/zinc/09/68/38/386096838.db2.gz OXFDEHOBKDCTML-UHFFFAOYSA-N 0 3 249.314 0.859 20 0 BCADHN C[C@H](O)CCN1CCN(C)[C@@H](C)[C@H]1C ZINC000425457280 386098657 /nfs/dbraw/zinc/09/86/57/386098657.db2.gz KSWFOEOKAXNFGY-GARJFASQSA-N 0 3 200.326 0.782 20 0 BCADHN Cc1[nH]ncc1CN1CCN(C)C(=O)[C@@H]1C ZINC000190079674 386145681 /nfs/dbraw/zinc/14/56/81/386145681.db2.gz GTINVWNNDMOGOT-VIFPVBQESA-N 0 3 222.292 0.381 20 0 BCADHN CC[C@@H](C(=O)OC)C(=O)N(C)CCN(C)C ZINC000338831335 386149665 /nfs/dbraw/zinc/14/96/65/386149665.db2.gz GGLPQSDIPSFRRY-SECBINFHSA-N 0 3 230.308 0.206 20 0 BCADHN CO[C@@H](C)CCNC(=O)NC1CCN(C)CC1 ZINC000338809162 386150044 /nfs/dbraw/zinc/15/00/44/386150044.db2.gz FCWFBUGECSFWCO-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1CSC1(C)C ZINC000338812427 386150240 /nfs/dbraw/zinc/15/02/40/386150240.db2.gz UDPCPRVBBAASJV-MRVPVSSYSA-N 0 3 231.365 0.741 20 0 BCADHN CC[C@@H](C(=O)NCCN(C)CC)C(=O)OC ZINC000338817042 386152348 /nfs/dbraw/zinc/15/23/48/386152348.db2.gz VLBOHFSDQKMOKB-VIFPVBQESA-N 0 3 230.308 0.254 20 0 BCADHN CC[C@H](CO)NC(=O)CN(CC)CC 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/nfs/dbraw/zinc/16/14/83/386161483.db2.gz XOUHVNVCCPIZEH-DTWKUNHWSA-N 0 3 202.298 0.070 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCCOCC1 ZINC000346141655 386165289 /nfs/dbraw/zinc/16/52/89/386165289.db2.gz QPXSGWOZYAMSML-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)CN(C)C)C(=O)OC ZINC000346135904 386165388 /nfs/dbraw/zinc/16/53/88/386165388.db2.gz KYZQMCSLPDQSOZ-BDAKNGLRSA-N 0 3 230.308 0.252 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000346139735 386165915 /nfs/dbraw/zinc/16/59/15/386165915.db2.gz OMTCGVZTZUKKIL-JQWIXIFHSA-N 0 3 239.363 0.680 20 0 BCADHN COc1ccc(C(=O)NCC2C[NH2+]C2)c([O-])c1 ZINC000397833638 386166895 /nfs/dbraw/zinc/16/68/95/386166895.db2.gz LPTBQQUNELDHNE-UHFFFAOYSA-N 0 3 236.271 0.350 20 0 BCADHN Cc1ccc(NC(=O)C(=O)N(C)CCN)c(C)c1 ZINC000415880432 386167421 /nfs/dbraw/zinc/16/74/21/386167421.db2.gz RVYDXXOYSIHOTM-UHFFFAOYSA-N 0 3 249.314 0.659 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C1CN(CC(F)F)C1 ZINC000346146102 386168269 /nfs/dbraw/zinc/16/82/69/386168269.db2.gz VPQCIZFQJPEXIP-QMMMGPOBSA-N 0 3 249.305 0.250 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1CO[C@H](C)C1 ZINC000346145276 386168602 /nfs/dbraw/zinc/16/86/02/386168602.db2.gz UXGWOISYVHMIEL-OPRDCNLKSA-N 0 3 214.309 0.478 20 0 BCADHN COC[C@H](O)CN[C@H](C)c1ccnc(OC)c1 ZINC000340537322 386168836 /nfs/dbraw/zinc/16/88/36/386168836.db2.gz UWWAXJSLICHURR-MWLCHTKSSA-N 0 3 240.303 0.748 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCCC(=O)N(C)C ZINC000346158751 386170269 /nfs/dbraw/zinc/17/02/69/386170269.db2.gz LFDREUBIRGNIJU-JTQLQIEISA-N 0 3 243.351 0.311 20 0 BCADHN CNS(=O)(=O)CCNCc1ccccc1C ZINC000190313470 386173626 /nfs/dbraw/zinc/17/36/26/386173626.db2.gz GVAZZFYGSRBULA-UHFFFAOYSA-N 0 3 242.344 0.634 20 0 BCADHN CO[C@H](C(=O)N[C@H](C)CN(C)C)C1CC1 ZINC000346167613 386173715 /nfs/dbraw/zinc/17/37/15/386173715.db2.gz GFYQPTUGCUUKJT-SCZZXKLOSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@H](CN(C)C)NC(=O)COC[C@H]1CCOC1 ZINC000346169490 386174608 /nfs/dbraw/zinc/17/46/08/386174608.db2.gz VJGJWMZTVQOPOJ-MNOVXSKESA-N 0 3 244.335 0.106 20 0 BCADHN COCCN1CCN(C(C)(C)COC)CC1 ZINC000425500417 386182280 /nfs/dbraw/zinc/18/22/80/386182280.db2.gz BJENBVSGOLXNRH-UHFFFAOYSA-N 0 3 230.352 0.675 20 0 BCADHN CC1(CN2CCC[C@@H](n3ccnn3)C2)COC1 ZINC000425502224 386183674 /nfs/dbraw/zinc/18/36/74/386183674.db2.gz PLNBINOCHFTTFP-LLVKDONJSA-N 0 3 236.319 0.952 20 0 BCADHN CCN(C)C(=O)CN1C[C@@H](C)N(CC)C[C@H]1C ZINC000346193538 386184248 /nfs/dbraw/zinc/18/42/48/386184248.db2.gz QDHNPMXTZPFEJE-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN Cc1cccc(NC(=O)C(=O)N[C@@H](C)CN)c1C ZINC000415664731 386124600 /nfs/dbraw/zinc/12/46/00/386124600.db2.gz XMGYYJFCBKNMNF-VIFPVBQESA-N 0 3 249.314 0.705 20 0 BCADHN C[C@@H](O)CN(CCO)CCO[C@H]1CCCCO1 ZINC000336729445 386126611 /nfs/dbraw/zinc/12/66/11/386126611.db2.gz XKEOLNKDOZKDGA-NEPJUHHUSA-N 0 3 247.335 0.205 20 0 BCADHN O=C(CN[C@@H]1CCC12CCC2)N1CCOCC1 ZINC000334463836 386131241 /nfs/dbraw/zinc/13/12/41/386131241.db2.gz 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20 0 BCADHN CN(CCO)CCC(=O)N1CCc2ccccc21 ZINC000264028212 386204083 /nfs/dbraw/zinc/20/40/83/386204083.db2.gz GVHXBGUQKSKRAM-UHFFFAOYSA-N 0 3 248.326 0.890 20 0 BCADHN CN(C)C1(CNC(=O)[C@@]2(C)C[C@@H]2F)CC1 ZINC000424897861 386204861 /nfs/dbraw/zinc/20/48/61/386204861.db2.gz WHSHBZYCOCGXFQ-WPRPVWTQSA-N 0 3 214.284 0.945 20 0 BCADHN CN(C)c1ncc(CN[C@@H]2CCCOC2)cn1 ZINC000288482199 386206643 /nfs/dbraw/zinc/20/66/43/386206643.db2.gz GMQXGTIIOGXVMB-LLVKDONJSA-N 0 3 236.319 0.811 20 0 BCADHN O=C1CCN(CN[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000365610851 386209341 /nfs/dbraw/zinc/20/93/41/386209341.db2.gz GCPYLRJPHYPQSB-SNVBAGLBSA-N 0 3 248.330 0.479 20 0 BCADHN O=C1CCN(CN[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000365610851 386209347 /nfs/dbraw/zinc/20/93/47/386209347.db2.gz GCPYLRJPHYPQSB-SNVBAGLBSA-N 0 3 248.330 0.479 20 0 BCADHN CC(C)N1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000408402589 386211722 /nfs/dbraw/zinc/21/17/22/386211722.db2.gz OLEBQCTWPGFJSI-LBPRGKRZSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@H](CNC(=O)c1cocn1)N(C)C1CC1 ZINC000264173836 386211902 /nfs/dbraw/zinc/21/19/02/386211902.db2.gz KDXXXUMZQBBZBH-MRVPVSSYSA-N 0 3 223.276 0.887 20 0 BCADHN CCCCCNC(=O)CN1CCCN(C)CC1 ZINC000355571744 386213489 /nfs/dbraw/zinc/21/34/89/386213489.db2.gz DJEGOVCIUHYYIP-UHFFFAOYSA-N 0 3 241.379 0.930 20 0 BCADHN CC(C)[C@H]([NH3+])C(=O)Nc1ncccc1[O-] ZINC000125055228 386217069 /nfs/dbraw/zinc/21/70/69/386217069.db2.gz FTHAKBQYWYTNLG-QMMMGPOBSA-N 0 3 209.249 0.709 20 0 BCADHN O=S(=O)(C1CC1)N1CCCN2CCC[C@H]2C1 ZINC000365613283 386217452 /nfs/dbraw/zinc/21/74/52/386217452.db2.gz WQCHZEPHVQACTL-JTQLQIEISA-N 0 3 244.360 0.649 20 0 BCADHN CC(C)C(=O)NCCN(C)C[C@@H](O)C(C)C ZINC000340289623 386217578 /nfs/dbraw/zinc/21/75/78/386217578.db2.gz RGFHMBUTCYDFBN-LLVKDONJSA-N 0 3 230.352 0.707 20 0 BCADHN CCC1(CO)CCN([C@H]2COC[C@H]2O)CC1 ZINC000340290014 386219254 /nfs/dbraw/zinc/21/92/54/386219254.db2.gz MKDKXZYQTVPEGL-WDEREUQCSA-N 0 3 229.320 0.231 20 0 BCADHN CCC1(CO)CCN([C@@H]2COC[C@@H]2O)CC1 ZINC000340290012 386220738 /nfs/dbraw/zinc/22/07/38/386220738.db2.gz MKDKXZYQTVPEGL-MNOVXSKESA-N 0 3 229.320 0.231 20 0 BCADHN CCc1n[nH]cc1C(=O)NC[C@H]1CCN(C)C1 ZINC000264234505 386220949 /nfs/dbraw/zinc/22/09/49/386220949.db2.gz CYFJUNHXRXQDPR-SECBINFHSA-N 0 3 236.319 0.654 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)N1CCCN(C)CC1 ZINC000347036574 386226353 /nfs/dbraw/zinc/22/63/53/386226353.db2.gz QYRQZNXALWHIEO-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN CC(C)N(C)CC(=O)NCc1nccn1C ZINC000264325874 386226475 /nfs/dbraw/zinc/22/64/75/386226475.db2.gz ROCZUKNESZPBSK-UHFFFAOYSA-N 0 3 224.308 0.377 20 0 BCADHN CC[C@H](O)CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000339064564 386233144 /nfs/dbraw/zinc/23/31/44/386233144.db2.gz MNPIWKBDKUGMBJ-DCAQKATOSA-N 0 3 200.326 0.782 20 0 BCADHN CC[C@H](O)CN1CCN(C)[C@H](C)[C@@H]1C ZINC000339064566 386233353 /nfs/dbraw/zinc/23/33/53/386233353.db2.gz MNPIWKBDKUGMBJ-VWYCJHECSA-N 0 3 200.326 0.782 20 0 BCADHN Cc1nscc1C(=O)N1CCCNCC1 ZINC000335388885 386236997 /nfs/dbraw/zinc/23/69/97/386236997.db2.gz GMQZIGARNVJCCY-UHFFFAOYSA-N 0 3 225.317 0.887 20 0 BCADHN CNc1ccc(C(=O)NC[C@H]2CCCN2C)cn1 ZINC000226133126 386238165 /nfs/dbraw/zinc/23/81/65/386238165.db2.gz KLFLUTOYCFFHJJ-LLVKDONJSA-N 0 3 248.330 0.947 20 0 BCADHN CC(C)[C@@H]1CN(CCn2cncn2)CCN1C ZINC000347132603 386239086 /nfs/dbraw/zinc/23/90/86/386239086.db2.gz PVCYJINMGHQERF-LBPRGKRZSA-N 0 3 237.351 0.550 20 0 BCADHN CO[C@@H]1C[C@@H](NC(=O)C2(N)CC2)C1(C)C ZINC000226379850 386239177 /nfs/dbraw/zinc/23/91/77/386239177.db2.gz KFCCBOFGKNUGNY-HTQZYQBOSA-N 0 3 212.293 0.407 20 0 BCADHN COC[C@H](NC(=O)[C@@H](N)CC(C)C)C1CC1 ZINC000125364301 386240769 /nfs/dbraw/zinc/24/07/69/386240769.db2.gz DEPMLPYKFFBNQY-QWRGUYRKSA-N 0 3 228.336 0.901 20 0 BCADHN CN(C)C1(CNC(=O)Cc2cc[nH]n2)CCC1 ZINC000275852808 386246487 /nfs/dbraw/zinc/24/64/87/386246487.db2.gz IEBBBFLZLSAJNA-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN CCCCN(C)CCNS(C)(=O)=O ZINC000336642934 386248138 /nfs/dbraw/zinc/24/81/38/386248138.db2.gz CZSJXACAHSRGTE-UHFFFAOYSA-N 0 3 208.327 0.268 20 0 BCADHN COC[C@@H](NC(=O)[C@H](N)CCSC)C1CC1 ZINC000125386756 386249973 /nfs/dbraw/zinc/24/99/73/386249973.db2.gz HALJEOJWJJRAQS-NXEZZACHSA-N 0 3 246.376 0.608 20 0 BCADHN COC[C@@H](NCc1cnc(N)nc1N)C(C)C ZINC000638633498 386250310 /nfs/dbraw/zinc/25/03/10/386250310.db2.gz ASAUVVRVEMHKEF-SECBINFHSA-N 0 3 239.323 0.062 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000416273728 386252160 /nfs/dbraw/zinc/25/21/60/386252160.db2.gz AOLJOOXLWNMXDW-JGZJWPJOSA-N 0 3 214.309 0.358 20 0 BCADHN Cc1ocnc1CNC(=O)[C@H]1CCCCN1 ZINC000125411808 386253360 /nfs/dbraw/zinc/25/33/60/386253360.db2.gz CQVFWFLUFJQYSK-SECBINFHSA-N 0 3 223.276 0.741 20 0 BCADHN CN(CCN1CCOCC1)[C@H]1CCSC1 ZINC000336647642 386257164 /nfs/dbraw/zinc/25/71/64/386257164.db2.gz MPXSKNMKEILDCQ-NSHDSACASA-N 0 3 230.377 0.756 20 0 BCADHN CCC[C@H](O)CNC(=O)C[C@@H]1CSCCN1 ZINC000132916383 386257972 /nfs/dbraw/zinc/25/79/72/386257972.db2.gz AQIXEYOTNMFQOE-ZJUUUORDSA-N 0 3 246.376 0.359 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CC[C@@H](O)C1)N(C)C1CC1 ZINC000346294545 386192115 /nfs/dbraw/zinc/19/21/15/386192115.db2.gz GGWKKAGESXAKGR-CKYFFXLPSA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@@H](C(=O)NC[C@]1(C)CCOC1)N(C)C ZINC000338970927 386192489 /nfs/dbraw/zinc/19/24/89/386192489.db2.gz CITZZMZRTNXPBW-JQWIXIFHSA-N 0 3 228.336 0.869 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1cnn(C)c1 ZINC000263937486 386192952 /nfs/dbraw/zinc/19/29/52/386192952.db2.gz YBRQDPLQQNTEJM-LLVKDONJSA-N 0 3 236.319 0.586 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)c1ccncn1 ZINC000275231314 386194360 /nfs/dbraw/zinc/19/43/60/386194360.db2.gz FGBUCRBKUSXIIC-UHFFFAOYSA-N 0 3 248.330 0.890 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1ccon1 ZINC000263925518 386194412 /nfs/dbraw/zinc/19/44/12/386194412.db2.gz RDQQZQFIRTUDDF-SECBINFHSA-N 0 3 223.276 0.841 20 0 BCADHN COC(=O)CCNC(=O)c1ccc2c(c1)CNC2 ZINC000131126941 386195659 /nfs/dbraw/zinc/19/56/59/386195659.db2.gz RZWHUKKGNQVGSB-UHFFFAOYSA-N 0 3 248.282 0.583 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCCCN1)c1ncon1 ZINC000125488412 386259114 /nfs/dbraw/zinc/25/91/14/386259114.db2.gz RVPVHTOLCRIGID-SFYZADRCSA-N 0 3 224.264 0.389 20 0 BCADHN CC[C@H]1CO[C@@H](C)CN1C[C@@H](O)COC ZINC000225472364 386196325 /nfs/dbraw/zinc/19/63/25/386196325.db2.gz DWZNDKYLWNUVTG-GARJFASQSA-N 0 3 217.309 0.493 20 0 BCADHN CC(C)[C@H](O)CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000340283126 386196431 /nfs/dbraw/zinc/19/64/31/386196431.db2.gz FSPKHQIVKQSJHA-VXGBXAGGSA-N 0 3 240.347 0.746 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2ccncn2)C1 ZINC000275273421 386197014 /nfs/dbraw/zinc/19/70/14/386197014.db2.gz JMFALAOAKGCQOQ-JTQLQIEISA-N 0 3 234.303 0.643 20 0 BCADHN CC(C(=O)N1C[C@@H](C)[C@H](C)[C@H]1C)S(C)(=O)=O ZINC000416081885 386197226 /nfs/dbraw/zinc/19/72/26/386197226.db2.gz WSTPZLNZKHYGTF-RGOKHQFPSA-N 0 3 247.360 0.922 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000040460178 386198022 /nfs/dbraw/zinc/19/80/22/386198022.db2.gz LTKXTDXNYHPXQE-GUBZILKMSA-N 0 3 214.309 0.606 20 0 BCADHN Cc1ocnc1C(=O)NC[C@@H](C)N(C)C ZINC000263969215 386198046 /nfs/dbraw/zinc/19/80/46/386198046.db2.gz HJWJTFKZIRBKQR-SSDOTTSWSA-N 0 3 211.265 0.663 20 0 BCADHN CN(C)C1(CNC(=O)c2cccnc2)CC1 ZINC000416286469 386259215 /nfs/dbraw/zinc/25/92/15/386259215.db2.gz ATNNYJDUJZKDFQ-UHFFFAOYSA-N 0 3 219.288 0.906 20 0 BCADHN CC(C)(C)N(CC(N)=O)C[C@H]1CCCO1 ZINC000131268171 386199137 /nfs/dbraw/zinc/19/91/37/386199137.db2.gz KKZIWLYELJUEFS-SECBINFHSA-N 0 3 214.309 0.751 20 0 BCADHN Cc1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1C ZINC000235888611 386200369 /nfs/dbraw/zinc/20/03/69/386200369.db2.gz RVAOHOUSSONLDY-STQMWFEESA-N 0 3 221.300 0.841 20 0 BCADHN CN(C[C@@H]1CCC[C@H]1O)C(=O)[C@@H]1CCCN1C ZINC000339191632 386284101 /nfs/dbraw/zinc/28/41/01/386284101.db2.gz WDNWDBFPHUKDOY-SDDRHHMPSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000339191462 386284143 /nfs/dbraw/zinc/28/41/43/386284143.db2.gz RKPHSZVGRRIYQU-NWDGAFQWSA-N 0 3 242.363 0.946 20 0 BCADHN CN(C)CCN(C)C(=O)Cn1cc(Cl)cn1 ZINC000289344101 386287364 /nfs/dbraw/zinc/28/73/64/386287364.db2.gz ZTABPWODUAANCX-UHFFFAOYSA-N 0 3 244.726 0.557 20 0 BCADHN CO[C@@H]1CCN(CCn2cncn2)[C@H](C)C1 ZINC000336664827 386288270 /nfs/dbraw/zinc/28/82/70/386288270.db2.gz HKDYAWDQFKSESA-GHMZBOCLSA-N 0 3 224.308 0.777 20 0 BCADHN CCOCCN1CCSC[C@@H]1CO ZINC000336665626 386289083 /nfs/dbraw/zinc/28/90/83/386289083.db2.gz YCQYRPMVCUDBPW-VIFPVBQESA-N 0 3 205.323 0.433 20 0 BCADHN CC(C)[C@@H](NC(=O)CN)c1nc(C2CC2)no1 ZINC000236602114 386289261 /nfs/dbraw/zinc/28/92/61/386289261.db2.gz BOVIIGLELWOYGZ-SECBINFHSA-N 0 3 238.291 0.719 20 0 BCADHN COc1nc(C)ccc1C(=O)NCCN(C)C ZINC000347226112 386289485 /nfs/dbraw/zinc/28/94/85/386289485.db2.gz DVTOHIUYBLGYDK-UHFFFAOYSA-N 0 3 237.303 0.690 20 0 BCADHN CO[C@@H]1CN(CCn2cncn2)CC[C@H]1C ZINC000336665933 386290875 /nfs/dbraw/zinc/29/08/75/386290875.db2.gz JUARYHHBOZKFEJ-GHMZBOCLSA-N 0 3 224.308 0.635 20 0 BCADHN CO[C@@H]1CN(CCn2cncn2)CC[C@@H]1C ZINC000336665946 386291358 /nfs/dbraw/zinc/29/13/58/386291358.db2.gz JUARYHHBOZKFEJ-WDEREUQCSA-N 0 3 224.308 0.635 20 0 BCADHN CN(C(=O)C1(O)CCC1)[C@H]1CCN(C2CC2)C1 ZINC000335263142 386292388 /nfs/dbraw/zinc/29/23/88/386292388.db2.gz AZPZNKVVLSVWCO-NSHDSACASA-N 0 3 238.331 0.597 20 0 BCADHN CC(C)[C@H](O)CN1CCO[C@@H](CN(C)C)C1 ZINC000336666868 386292750 /nfs/dbraw/zinc/29/27/50/386292750.db2.gz MMFPBEACNXKJQZ-NWDGAFQWSA-N 0 3 230.352 0.266 20 0 BCADHN c1cncc(-c2noc(C[C@@H]3CNCCO3)n2)c1 ZINC000091294798 386292787 /nfs/dbraw/zinc/29/27/87/386292787.db2.gz CLGMGYJJRHBHBW-SNVBAGLBSA-N 0 3 246.270 0.663 20 0 BCADHN C[C@@H](O)CN1CC[C@@H](COC(F)F)C1 ZINC000339193361 386294654 /nfs/dbraw/zinc/29/46/54/386294654.db2.gz CXUFEJMRSSCOPE-HTQZYQBOSA-N 0 3 209.236 0.928 20 0 BCADHN CN(CCNC(=O)C[C@](C)(O)C1CC1)C1CC1 ZINC000339204230 386297431 /nfs/dbraw/zinc/29/74/31/386297431.db2.gz NCHVMTDJQBDJFD-ZDUSSCGKSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1c[nH]nc1CNCCCN1CCOC1=O ZINC000289409059 386299132 /nfs/dbraw/zinc/29/91/32/386299132.db2.gz ACSNOLSWIDIERO-UHFFFAOYSA-N 0 3 238.291 0.650 20 0 BCADHN OC[C@@H]1CC[C@@H](CO)N1CCOCC(F)F ZINC000347296977 386299551 /nfs/dbraw/zinc/29/95/51/386299551.db2.gz VNWXWZOAIHGLRS-IUCAKERBSA-N 0 3 239.262 0.086 20 0 BCADHN OC[C@H]1CC[C@H](CO)N1CCOCC(F)F ZINC000347296978 386300542 /nfs/dbraw/zinc/30/05/42/386300542.db2.gz VNWXWZOAIHGLRS-RKDXNWHRSA-N 0 3 239.262 0.086 20 0 BCADHN CN(C)S(=O)(=O)CCCN(C)C1CC1 ZINC000336671466 386300790 /nfs/dbraw/zinc/30/07/90/386300790.db2.gz KJOKLMHBODZLJD-UHFFFAOYSA-N 0 3 220.338 0.362 20 0 BCADHN Cc1cnn(C)c1CN[C@H](C)CN(C)C ZINC000336731037 386301773 /nfs/dbraw/zinc/30/17/73/386301773.db2.gz KMJDIAZTNRUTGS-SNVBAGLBSA-N 0 3 210.325 0.768 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N(C)CC(C)(C)O ZINC000081747505 386308339 /nfs/dbraw/zinc/30/83/39/386308339.db2.gz UIQYTDWBWVDIDJ-VIFPVBQESA-N 0 3 230.352 0.992 20 0 BCADHN CN(CCO)C[C@H](O)COc1ccccc1F ZINC000298208111 386309389 /nfs/dbraw/zinc/30/93/89/386309389.db2.gz QXAAELLHXZYHEI-JTQLQIEISA-N 0 3 243.278 0.490 20 0 BCADHN Cc1cccnc1CN1[C@@H](CO)CC[C@H]1CO ZINC000347274399 386314006 /nfs/dbraw/zinc/31/40/06/386314006.db2.gz AOVDTRDTPSMDEU-TXEJJXNPSA-N 0 3 236.315 0.708 20 0 BCADHN C[C@@H]1C[C@H](CN2C[C@@H](C)O[C@@H](CO)C2)CCO1 ZINC000347280477 386315759 /nfs/dbraw/zinc/31/57/59/386315759.db2.gz SDXXGJVAKSAHJT-FDYHWXHSSA-N 0 3 243.347 0.883 20 0 BCADHN C[C@H](O)CCCN1CCC[C@@H](OCCO)C1 ZINC000336670589 386316328 /nfs/dbraw/zinc/31/63/28/386316328.db2.gz RZADUFATRFBBOD-NWDGAFQWSA-N 0 3 231.336 0.621 20 0 BCADHN COCCNCCNC(=O)N[C@@H](C)C1CC1 ZINC000416439875 386316821 /nfs/dbraw/zinc/31/68/21/386316821.db2.gz REJMZUOXKBGXQH-VIFPVBQESA-N 0 3 229.324 0.320 20 0 BCADHN Cc1[nH]nc(C(=O)NC2CCN(C)CC2)c1C ZINC000265215156 386318887 /nfs/dbraw/zinc/31/88/87/386318887.db2.gz VLOQLLOCHZSQDX-UHFFFAOYSA-N 0 3 236.319 0.851 20 0 BCADHN C[C@H](CN1CCC[C@@H]1CCO)CS(C)(=O)=O ZINC000336678920 386319094 /nfs/dbraw/zinc/31/90/94/386319094.db2.gz WTHAHMBVPSYVRE-GHMZBOCLSA-N 0 3 249.376 0.514 20 0 BCADHN Cc1[nH]nc(C(=O)NC[C@@H]2CCCN2C)c1C ZINC000265217714 386319806 /nfs/dbraw/zinc/31/98/06/386319806.db2.gz CLQQNUQZBOIYFN-JTQLQIEISA-N 0 3 236.319 0.851 20 0 BCADHN C[C@@H](CNC(=O)[C@H](C)n1cccn1)N(C)C ZINC000298298338 386319983 /nfs/dbraw/zinc/31/99/83/386319983.db2.gz ASYPCCFOIVCVAU-UWVGGRQHSA-N 0 3 224.308 0.510 20 0 BCADHN C[C@H](O)CCN(C)CCc1cncn1C ZINC000289510068 386320301 /nfs/dbraw/zinc/32/03/01/386320301.db2.gz FJMVGLFRWIXRJF-JTQLQIEISA-N 0 3 211.309 0.665 20 0 BCADHN CC(C)[C@@H](O)CN1CCC[C@@H](n2cncn2)C1 ZINC000336679613 386321956 /nfs/dbraw/zinc/32/19/56/386321956.db2.gz AWUXKLQOCKZYLL-NEPJUHHUSA-N 0 3 238.335 0.932 20 0 BCADHN CSCCC(=O)NCC1(N(C)C)CC1 ZINC000416291945 386261558 /nfs/dbraw/zinc/26/15/58/386261558.db2.gz PVXWFHVXSXWRIM-UHFFFAOYSA-N 0 3 216.350 0.950 20 0 BCADHN CC[C@H](O)CN1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000339141928 386262362 /nfs/dbraw/zinc/26/23/62/386262362.db2.gz VEYZAGKMTSGNTC-GRYCIOLGSA-N 0 3 229.320 0.637 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CCCN2C)cnn1 ZINC000276033375 386262761 /nfs/dbraw/zinc/26/27/61/386262761.db2.gz FDFNLHKTAOMNCG-NSHDSACASA-N 0 3 234.303 0.609 20 0 BCADHN CCN(CCO)CCNC(=O)NC[C@H]1C[C@H]1C ZINC000347155358 386264044 /nfs/dbraw/zinc/26/40/44/386264044.db2.gz CSUFDPOHPUGIBE-GHMZBOCLSA-N 0 3 243.351 0.256 20 0 BCADHN CCN(CCO)CCNC(=O)NC[C@@H]1C[C@@H]1C ZINC000347155372 386264081 /nfs/dbraw/zinc/26/40/81/386264081.db2.gz CSUFDPOHPUGIBE-QWRGUYRKSA-N 0 3 243.351 0.256 20 0 BCADHN CCn1cc(C(=O)NCC2(N(C)C)CC2)cn1 ZINC000416301638 386264533 /nfs/dbraw/zinc/26/45/33/386264533.db2.gz MAPCOYZIYYVQIY-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2CCCN2C)CC1 ZINC000416302023 386267792 /nfs/dbraw/zinc/26/77/92/386267792.db2.gz MVKKMCYQEKMCHB-JTQLQIEISA-N 0 3 225.336 0.291 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)NCC1(N(C)C)CC1 ZINC000416303667 386267986 /nfs/dbraw/zinc/26/79/86/386267986.db2.gz RONKEEHVJHZECX-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN CN(C)C1(CNC(=O)[C@](C)(O)C2CCC2)CC1 ZINC000416308084 386269424 /nfs/dbraw/zinc/26/94/24/386269424.db2.gz OLQGPZUMQRRLIR-GFCCVEGCSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)NCC1(N(C)C)CC1 ZINC000416307591 386270469 /nfs/dbraw/zinc/27/04/69/386270469.db2.gz LSBNHDLFUMZJJU-LLVKDONJSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](O)CN(CCO)[C@@H]1CCO[C@H]1C ZINC000339146927 386273672 /nfs/dbraw/zinc/27/36/72/386273672.db2.gz BHVIXKMTQBSMHR-GARJFASQSA-N 0 3 217.309 0.229 20 0 BCADHN Cc1cnn(C)c1CN1CCC[C@H]1CO ZINC000289226913 386274933 /nfs/dbraw/zinc/27/49/33/386274933.db2.gz YDCCXPZQYZNILF-JTQLQIEISA-N 0 3 209.293 0.685 20 0 BCADHN CCN1CCN(CCC(=O)NCC(F)F)CC1 ZINC000347253121 386276818 /nfs/dbraw/zinc/27/68/18/386276818.db2.gz ATWVHBVJHRKSGY-UHFFFAOYSA-N 0 3 249.305 0.395 20 0 BCADHN COC[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000081061253 386277902 /nfs/dbraw/zinc/27/79/02/386277902.db2.gz UQZUYPDCOUIKJR-NXEZZACHSA-N 0 3 228.336 0.855 20 0 BCADHN CC[C@@H](C(=O)OC)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425540502 386341347 /nfs/dbraw/zinc/34/13/47/386341347.db2.gz DUGXRXYDQOAJNZ-IUCAKERBSA-N 0 3 238.291 0.546 20 0 BCADHN Cc1ccc([O-])c(CNC[C@@H]([NH3+])C2CC2)n1 ZINC000414903501 386342351 /nfs/dbraw/zinc/34/23/51/386342351.db2.gz ZWHGNTRBHXGCBA-SNVBAGLBSA-N 0 3 221.304 0.923 20 0 BCADHN COC[C@@H](O)CN1CCC(O)(C(F)F)CC1 ZINC000408363741 386345257 /nfs/dbraw/zinc/34/52/57/386345257.db2.gz ZLIJOZLGSMTVBA-QMMMGPOBSA-N 0 3 239.262 0.086 20 0 BCADHN CCN(C)CCNC(=O)c1nonc1C ZINC000265507631 386345614 /nfs/dbraw/zinc/34/56/14/386345614.db2.gz FCPAMFCIFCDLOH-UHFFFAOYSA-N 0 3 212.253 0.060 20 0 BCADHN C[C@H](CNC(=O)N1CCNCC1)N(C)C1CC1 ZINC000417547081 386348044 /nfs/dbraw/zinc/34/80/44/386348044.db2.gz GOYRDZWPNBNQIK-SNVBAGLBSA-N 0 3 240.351 0.084 20 0 BCADHN CCN(CCOC)C(=O)/C=C/CN(C)C ZINC000265600503 386349152 /nfs/dbraw/zinc/34/91/52/386349152.db2.gz CEIUWVKZEMYRCN-VOTSOKGWSA-N 0 3 214.309 0.599 20 0 BCADHN CC(C)COCCN1[C@@H](CO)CC[C@H]1CO ZINC000347305643 386349615 /nfs/dbraw/zinc/34/96/15/386349615.db2.gz MAVBZBJNSZTCGC-TXEJJXNPSA-N 0 3 231.336 0.477 20 0 BCADHN CC(C)CNC(=O)N[C@H]1CNCCC1(F)F ZINC000335267644 386349634 /nfs/dbraw/zinc/34/96/34/386349634.db2.gz BESVEBGPWRQFMJ-QMMMGPOBSA-N 0 3 235.278 0.939 20 0 BCADHN CSCCCNC(=O)/C=C/CN(C)C ZINC000265606150 386352053 /nfs/dbraw/zinc/35/20/53/386352053.db2.gz AZMHRWNHMLUVMP-GQCTYLIASA-N 0 3 216.350 0.974 20 0 BCADHN COC[C@@H]1CCN1CCN1CCOC[C@H]1C ZINC000339284755 386352582 /nfs/dbraw/zinc/35/25/82/386352582.db2.gz SUQSQNARMBKCFY-NEPJUHHUSA-N 0 3 228.336 0.428 20 0 BCADHN COc1ncccc1CCNCc1cnnn1C ZINC000289765660 386352736 /nfs/dbraw/zinc/35/27/36/386352736.db2.gz JHSKNMZMUIXNKL-UHFFFAOYSA-N 0 3 247.302 0.551 20 0 BCADHN C[C@@H](Cn1ccnc1)NC(=O)/C=C/CN(C)C ZINC000265635125 386355146 /nfs/dbraw/zinc/35/51/46/386355146.db2.gz KLGZSZFPCHIHBN-ZWNMCFTASA-N 0 3 236.319 0.506 20 0 BCADHN CCOC[C@@H](O)CN1CC[C@@H]1COC ZINC000339294351 386355479 /nfs/dbraw/zinc/35/54/79/386355479.db2.gz VKEMGDAUAUHOEJ-ZJUUUORDSA-N 0 3 203.282 0.105 20 0 BCADHN CN(CCN1CCNC1=O)[C@H]1CCSC1 ZINC000336684985 386357303 /nfs/dbraw/zinc/35/73/03/386357303.db2.gz KLGZUPBFPSWRMP-VIFPVBQESA-N 0 3 229.349 0.449 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N[C@H](C)[C@@H](C)CO ZINC000164890134 386357660 /nfs/dbraw/zinc/35/76/60/386357660.db2.gz RRIXXFATKOXSNA-AXFHLTTASA-N 0 3 230.352 0.754 20 0 BCADHN Cc1ncsc1CN(C)C(=O)[C@@H]1C[C@@H]1N ZINC000335278946 386360637 /nfs/dbraw/zinc/36/06/37/386360637.db2.gz BRZUPJQGNMQLMV-SFYZADRCSA-N 0 3 225.317 0.757 20 0 BCADHN CN(C)C/C=C/C(=O)NCc1nccs1 ZINC000265693499 386360632 /nfs/dbraw/zinc/36/06/32/386360632.db2.gz ZIOKRZYVWMTHAB-ONEGZZNKSA-N 0 3 225.317 0.877 20 0 BCADHN O=C(CN1CCC2(CC2)CC1)N1CCNC1=O ZINC000366669587 386362242 /nfs/dbraw/zinc/36/22/42/386362242.db2.gz GOBQINXLQJZILJ-UHFFFAOYSA-N 0 3 237.303 0.414 20 0 BCADHN COc1ccc(CN(C)C(=O)CN)cc1O ZINC000237228550 386364044 /nfs/dbraw/zinc/36/40/44/386364044.db2.gz ZVLVDVSZWIFFSF-UHFFFAOYSA-N 0 3 224.260 0.318 20 0 BCADHN CO[C@H]1CN(CCc2ccnn2C)C[C@@H]1OC ZINC000336692804 386366524 /nfs/dbraw/zinc/36/65/24/386366524.db2.gz JAXMUQNGOPCRJP-RYUDHWBXSA-N 0 3 239.319 0.308 20 0 BCADHN Cc1nc(F)ccc1CN(C)CCC(N)=O ZINC000289891970 386367550 /nfs/dbraw/zinc/36/75/50/386367550.db2.gz WMGQBHVOOFOWNE-UHFFFAOYSA-N 0 3 225.267 0.836 20 0 BCADHN CC[C@](C)(NC[C@H](O)C(C)C)C(N)=O ZINC000308470986 386367610 /nfs/dbraw/zinc/36/76/10/386367610.db2.gz JGMWJQRYISJRJD-WPRPVWTQSA-N 0 3 202.298 0.247 20 0 BCADHN Cc1csc(=O)n1CCN1CC[C@@H](CO)C1 ZINC000265796599 386369648 /nfs/dbraw/zinc/36/96/48/386369648.db2.gz HJLUJJUHBCDONH-SNVBAGLBSA-N 0 3 242.344 0.532 20 0 BCADHN CO[C@@H]1CN(CCN2CCOCC2)CC[C@@H]1C ZINC000336696006 386374147 /nfs/dbraw/zinc/37/41/47/386374147.db2.gz PPHGWYYMTBORGO-QWHCGFSZSA-N 0 3 242.363 0.675 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)[C@@H](C)OC)N(C)C ZINC000347380230 386374676 /nfs/dbraw/zinc/37/46/76/386374676.db2.gz PWGPBKIVXWWYND-OPRDCNLKSA-N 0 3 216.325 0.866 20 0 BCADHN Cc1c(CN2C[C@@H](C)[C@H](CO)C2)cnn1C ZINC000276784318 386374615 /nfs/dbraw/zinc/37/46/15/386374615.db2.gz JVVYGUURRZQDTA-SKDRFNHKSA-N 0 3 223.320 0.789 20 0 BCADHN Cc1nn(C)cc1CN1C[C@@H](O)C[C@@H]1C ZINC000334495316 386375225 /nfs/dbraw/zinc/37/52/25/386375225.db2.gz LEEIBKLYAPWEBJ-KWQFWETISA-N 0 3 209.293 0.684 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CCCO2)C[C@H]1OC ZINC000336696059 386375199 /nfs/dbraw/zinc/37/51/99/386375199.db2.gz ICMNEIAKKDOAOV-GMTAPVOTSA-N 0 3 215.293 0.511 20 0 BCADHN Cc1nn(C)cc1CN1C[C@@H](O)C[C@H]1C ZINC000334495314 386375477 /nfs/dbraw/zinc/37/54/77/386375477.db2.gz LEEIBKLYAPWEBJ-KCJUWKMLSA-N 0 3 209.293 0.684 20 0 BCADHN C[C@H](CNC(=O)CN)N1CCc2ccccc2C1 ZINC000237402696 386376741 /nfs/dbraw/zinc/37/67/41/386376741.db2.gz RIIGEBOEPFYFPD-LLVKDONJSA-N 0 3 247.342 0.508 20 0 BCADHN Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)CN)cc1 ZINC000237409115 386377330 /nfs/dbraw/zinc/37/73/30/386377330.db2.gz VFICGNQCCOKMFG-JTQLQIEISA-N 0 3 249.314 0.739 20 0 BCADHN CCc1cc(NC(=O)NCCN(C)C)n(C)n1 ZINC000181602256 386377417 /nfs/dbraw/zinc/37/74/17/386377417.db2.gz QDEARFYMOHWOEV-UHFFFAOYSA-N 0 3 239.323 0.666 20 0 BCADHN CO[C@@H]1CCN(CCN2CCOCC2)[C@@H](C)C1 ZINC000336698382 386380782 /nfs/dbraw/zinc/38/07/82/386380782.db2.gz WJINOJXLGLVEIV-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN CN(C)CCNC(=O)Cc1ccc(C(N)=O)cc1 ZINC000276839957 386381900 /nfs/dbraw/zinc/38/19/00/386381900.db2.gz BYWLMLLUUKHIBS-UHFFFAOYSA-N 0 3 249.314 0.006 20 0 BCADHN Cc1ccnc(NC[C@@]2(O)CCN(C)C2)n1 ZINC000336775412 386382496 /nfs/dbraw/zinc/38/24/96/386382496.db2.gz YYDIJHKTQWBYHI-NSHDSACASA-N 0 3 222.292 0.264 20 0 BCADHN CCN(CC)c1ccc(CNC(=O)CN)cn1 ZINC000236906244 386326407 /nfs/dbraw/zinc/32/64/07/386326407.db2.gz SXTKBCLDSACSDM-UHFFFAOYSA-N 0 3 236.319 0.503 20 0 BCADHN COC(=O)c1cc(CN(C)[C@H](C)CO)c[nH]1 ZINC000289545689 386326911 /nfs/dbraw/zinc/32/69/11/386326911.db2.gz XEBYUMQVIXKAMQ-MRVPVSSYSA-N 0 3 226.276 0.614 20 0 BCADHN CC[C@H](F)CN1[C@@H](CO)CC[C@H]1CO ZINC000347327715 386328262 /nfs/dbraw/zinc/32/82/62/386328262.db2.gz XWMWUEYAVIIBIH-LPEHRKFASA-N 0 3 205.273 0.552 20 0 BCADHN CN1CC[C@@H](CNS(=O)(=O)CC2CCC2)C1 ZINC000416493409 386329100 /nfs/dbraw/zinc/32/91/00/386329100.db2.gz DSBDKVGWICRWLB-NSHDSACASA-N 0 3 246.376 0.658 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000236937518 386329221 /nfs/dbraw/zinc/32/92/21/386329221.db2.gz IRWLVQDHVBPGOC-KOLCDFICSA-N 0 3 249.314 0.867 20 0 BCADHN Cn1cnc(C(=O)NC[C@@H]2CCN(C3CC3)C2)n1 ZINC000289577490 386329277 /nfs/dbraw/zinc/32/92/77/386329277.db2.gz QACGGLWKEZXXSE-VIFPVBQESA-N 0 3 249.318 0.029 20 0 BCADHN C[C@@H](NC[C@@H](O)CN(C)C1CC1)c1cn[nH]c1 ZINC000289579243 386330138 /nfs/dbraw/zinc/33/01/38/386330138.db2.gz RAWYGXWQLXEVQQ-BXKDBHETSA-N 0 3 238.335 0.515 20 0 BCADHN CCO[C@@H]1COCC[C@H]1NCc1ccnn1C ZINC000353155419 386331075 /nfs/dbraw/zinc/33/10/75/386331075.db2.gz QHXHZBAXIGFLIB-VXGBXAGGSA-N 0 3 239.319 0.704 20 0 BCADHN C[C@H](CC(N)=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000339272396 386335650 /nfs/dbraw/zinc/33/56/50/386335650.db2.gz UDISIWOTZUXYCE-NXEZZACHSA-N 0 3 241.335 0.051 20 0 BCADHN Cn1c2ccc(F)cc2nc1NC(=O)[C@@H]1C[C@@H]1N ZINC000335275869 386336353 /nfs/dbraw/zinc/33/63/53/386336353.db2.gz AOAXSDJKJQQGQG-SFYZADRCSA-N 0 3 248.261 0.998 20 0 BCADHN CC[C@@H](CO)N1CCN(C[C@H](O)C(C)C)CC1 ZINC000336717738 386439040 /nfs/dbraw/zinc/43/90/40/386439040.db2.gz USSAURVPANHCJQ-STQMWFEESA-N 0 3 244.379 0.392 20 0 BCADHN Cc1ncncc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000277511669 386441714 /nfs/dbraw/zinc/44/17/14/386441714.db2.gz QZLGJKCBVSAACQ-WCBMZHEXSA-N 0 3 234.303 0.607 20 0 BCADHN OC[C@@H](O)CNC/C=C/c1ccc(F)cc1F ZINC000347529979 386442221 /nfs/dbraw/zinc/44/22/21/386442221.db2.gz UJMNOOZTIXHMEM-GXFZAYBSSA-N 0 3 243.253 0.921 20 0 BCADHN CN(C)CCNC(=O)C=Cc1c[nH]cn1 ZINC000277511545 386443155 /nfs/dbraw/zinc/44/31/55/386443155.db2.gz QDMWJUAQYCEHKI-ONEGZZNKSA-N 0 3 208.265 0.101 20 0 BCADHN CCN(CCO)Cc1c[nH]c2nccnc12 ZINC000290523715 386445053 /nfs/dbraw/zinc/44/50/53/386445053.db2.gz UVUZXWUEJRSBNH-UHFFFAOYSA-N 0 3 220.276 0.772 20 0 BCADHN CN(C[C@@H]1COCCO1)C[C@@H]1CCCCO1 ZINC000336699950 386388326 /nfs/dbraw/zinc/38/83/26/386388326.db2.gz JWRNBUROADXKIP-NWDGAFQWSA-N 0 3 229.320 0.903 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H]2COC[C@H]2O)C12CCC2 ZINC000323607301 386390702 /nfs/dbraw/zinc/39/07/02/386390702.db2.gz AMFMGSOMBLHULR-DDHJBXDOSA-N 0 3 241.331 0.683 20 0 BCADHN CC1(C)C(NC(=O)C[C@@H]2CNCCO2)C1(C)C ZINC000092818200 386390728 /nfs/dbraw/zinc/39/07/28/386390728.db2.gz BIQLBANHTQMAJJ-SECBINFHSA-N 0 3 240.347 0.916 20 0 BCADHN Cc1cccn2cc(CNC(=O)[C@@H]3C[C@@H]3N)nc12 ZINC000335279451 386391980 /nfs/dbraw/zinc/39/19/80/386391980.db2.gz HKPADNNCDGFQCB-MNOVXSKESA-N 0 3 244.298 0.606 20 0 BCADHN CC(C)(CO)NC(=O)C1CCN(C2CC2)CC1 ZINC000408368504 386394750 /nfs/dbraw/zinc/39/47/50/386394750.db2.gz JCMFZWIPTAEWCB-UHFFFAOYSA-N 0 3 240.347 0.748 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cnc(Cl)cc1C ZINC000290109712 386395978 /nfs/dbraw/zinc/39/59/78/386395978.db2.gz YJCQIEQVQMCHLR-QMMMGPOBSA-N 0 3 243.694 0.956 20 0 BCADHN CC[C@H](O)CN1CCc2cc[nH]c(=O)c2C1 ZINC000276972475 386396094 /nfs/dbraw/zinc/39/60/94/386396094.db2.gz RMTOFUQWLQLIEI-JTQLQIEISA-N 0 3 222.288 0.916 20 0 BCADHN COC1CC(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)C1 ZINC000347419050 386396651 /nfs/dbraw/zinc/39/66/51/386396651.db2.gz RKQOBTFEFQCUKA-DXBQJSNCSA-N 0 3 238.331 0.763 20 0 BCADHN CCO[C@H]1C[C@H](N(C)C(=O)[C@H](C)N)C1(C)C ZINC000161553264 386451308 /nfs/dbraw/zinc/45/13/08/386451308.db2.gz SSDOATABEPDFPL-GUBZILKMSA-N 0 3 228.336 0.996 20 0 BCADHN COC[C@H]1CCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000336705669 386398549 /nfs/dbraw/zinc/39/85/49/386398549.db2.gz NTWGVGBDRSPWQR-JQWIXIFHSA-N 0 3 238.331 0.718 20 0 BCADHN CN(Cc1cn(C)nn1)[C@H]1CCN(C2CC2)C1 ZINC000336700955 386401400 /nfs/dbraw/zinc/40/14/00/386401400.db2.gz IEQRGNNVORWFCE-LBPRGKRZSA-N 0 3 235.335 0.484 20 0 BCADHN CC[C@@H](CO)N1CCN(CC2(C)COC2)CC1 ZINC000336701533 386404580 /nfs/dbraw/zinc/40/45/80/386404580.db2.gz LQDFVZHMUHNUQU-LBPRGKRZSA-N 0 3 242.363 0.411 20 0 BCADHN CC[C@H](CO)N1CCN(CC2(C)COC2)CC1 ZINC000336701532 386404913 /nfs/dbraw/zinc/40/49/13/386404913.db2.gz LQDFVZHMUHNUQU-GFCCVEGCSA-N 0 3 242.363 0.411 20 0 BCADHN CN(C)c1ncc(CNC(C)(C)CCO)cn1 ZINC000266183382 386407806 /nfs/dbraw/zinc/40/78/06/386407806.db2.gz WDWQILMHLCQMFP-UHFFFAOYSA-N 0 3 238.335 0.793 20 0 BCADHN CN(CCN1CCCC1=O)C[C@H]1CCCO1 ZINC000336702742 386408499 /nfs/dbraw/zinc/40/84/99/386408499.db2.gz NZFGRMZGRGBIRQ-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN Cc1noc(C)c1CCN(C)CCOCCO ZINC000336707329 386409641 /nfs/dbraw/zinc/40/96/41/386409641.db2.gz NITLJRGOIIEQAV-UHFFFAOYSA-N 0 3 242.319 0.775 20 0 BCADHN CC(C)[C@@H](O)CN1CCSC[C@@H]1CCO ZINC000336703203 386409972 /nfs/dbraw/zinc/40/99/72/386409972.db2.gz QKUIQLNXMJMAEY-QWRGUYRKSA-N 0 3 233.377 0.803 20 0 BCADHN Cn1cccc(NC(=O)[C@@H]2CCCCN2)c1=O ZINC000237814653 386413092 /nfs/dbraw/zinc/41/30/92/386413092.db2.gz UKBMBFVDQUDCSD-VIFPVBQESA-N 0 3 235.287 0.466 20 0 BCADHN COC[C@H](CO)NCc1c[nH]c2nccnc12 ZINC000356383124 386415224 /nfs/dbraw/zinc/41/52/24/386415224.db2.gz CCLSGBGNABSSRH-VIFPVBQESA-N 0 3 236.275 0.006 20 0 BCADHN CC[C@@H](CO)N1CCN(CC2(O)CCC2)CC1 ZINC000336708741 386418989 /nfs/dbraw/zinc/41/89/89/386418989.db2.gz JAWSZSYXNBBZJO-LBPRGKRZSA-N 0 3 242.363 0.290 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCC(C)(C)C(=O)NC ZINC000182663173 386420506 /nfs/dbraw/zinc/42/05/06/386420506.db2.gz ZECIIWMAYSKCDI-RKDXNWHRSA-N 0 3 243.351 0.248 20 0 BCADHN COCc1cc(C(=O)NC[C@H](C)N(C)C)no1 ZINC000266266974 386420598 /nfs/dbraw/zinc/42/05/98/386420598.db2.gz OURRJRQKFWROAP-QMMMGPOBSA-N 0 3 241.291 0.501 20 0 BCADHN CCN(CCO)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000339421543 386421583 /nfs/dbraw/zinc/42/15/83/386421583.db2.gz AKAFGABQNDKFCF-PHIMTYICSA-N 0 3 228.336 0.700 20 0 BCADHN COC(=O)Cn1cc(CNC[C@H]2C[C@H]2C)nn1 ZINC000277240394 386421722 /nfs/dbraw/zinc/42/17/22/386421722.db2.gz NABOLASQHDCOSR-RKDXNWHRSA-N 0 3 238.291 0.197 20 0 BCADHN O=C(CNC[C@H]1CCCO1)NCc1cccnc1 ZINC000237932381 386425425 /nfs/dbraw/zinc/42/54/25/386425425.db2.gz WUHPQHRDVDSANZ-GFCCVEGCSA-N 0 3 249.314 0.466 20 0 BCADHN Cc1cnc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cn1 ZINC000336710871 386425462 /nfs/dbraw/zinc/42/54/62/386425462.db2.gz LTNWUACWIPAVEV-DRZSPHRISA-N 0 3 233.315 0.988 20 0 BCADHN O=C(CNC[C@H]1CCCO1)Nc1cccnc1 ZINC000237938785 386425762 /nfs/dbraw/zinc/42/57/62/386425762.db2.gz PPSARISCFMHNAZ-LLVKDONJSA-N 0 3 235.287 0.789 20 0 BCADHN COCCOC[C@@H](O)CN[C@@H]1CCCC[C@H]1F ZINC000519387782 386425786 /nfs/dbraw/zinc/42/57/86/386425786.db2.gz XJLZZXNSHGGLTF-QJPTWQEYSA-N 0 3 249.326 0.881 20 0 BCADHN Cc1c(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cnn1C ZINC000336710434 386426421 /nfs/dbraw/zinc/42/64/21/386426421.db2.gz KZYBBCJLASEIIB-DRZSPHRISA-N 0 3 235.331 0.931 20 0 BCADHN COC[C@@H](NC(=O)[C@@H](N)C1CCC1)C1CC1 ZINC000399164120 386427373 /nfs/dbraw/zinc/42/73/73/386427373.db2.gz DNHBSHZWCFXGLX-MNOVXSKESA-N 0 3 226.320 0.655 20 0 BCADHN COC[C@H](NC(=O)[C@@H](N)C1CCC1)C1CC1 ZINC000399164121 386427592 /nfs/dbraw/zinc/42/75/92/386427592.db2.gz DNHBSHZWCFXGLX-QWRGUYRKSA-N 0 3 226.320 0.655 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2cncn2C)C1 ZINC000277334872 386427689 /nfs/dbraw/zinc/42/76/89/386427689.db2.gz DDLNKZIXYFJODU-JTQLQIEISA-N 0 3 236.319 0.586 20 0 BCADHN OC[C@H](O)CNCc1cc(-c2ccccc2)n[nH]1 ZINC000347514850 386427890 /nfs/dbraw/zinc/42/78/90/386427890.db2.gz KHAFAVSNXFVIBV-GFCCVEGCSA-N 0 3 247.298 0.520 20 0 BCADHN CCN(CC(N)=O)CC1CCSCC1 ZINC000639097529 386431450 /nfs/dbraw/zinc/43/14/50/386431450.db2.gz MFPFEXMITOGOOM-UHFFFAOYSA-N 0 3 216.350 0.937 20 0 BCADHN C[C@H]1CN(C)CCN1Cc1n[nH]c(C2CC2)n1 ZINC000347478687 386435095 /nfs/dbraw/zinc/43/50/95/386435095.db2.gz KOZXFADRGKYVIP-VIFPVBQESA-N 0 3 235.335 0.818 20 0 BCADHN CCC(CC)[C@H](CNC(=O)C(=O)NC)N(C)C ZINC000340625620 386436180 /nfs/dbraw/zinc/43/61/80/386436180.db2.gz ZHNPKPWDHUYOKV-JTQLQIEISA-N 0 3 243.351 0.215 20 0 BCADHN CC(C)(C)CNC(=O)NC[C@H]1CNCCO1 ZINC000417267575 386466433 /nfs/dbraw/zinc/46/64/33/386466433.db2.gz NGEFMIJYHQUKGD-SECBINFHSA-N 0 3 229.324 0.320 20 0 BCADHN COC1(C)CCN(CCN2CCNC2=O)CC1 ZINC000336731213 386468314 /nfs/dbraw/zinc/46/83/14/386468314.db2.gz YPEUPZPUQVIEHH-UHFFFAOYSA-N 0 3 241.335 0.513 20 0 BCADHN CCS(=O)(=O)NCCCN1C[C@@H](C)[C@@H]1C ZINC000339572025 386469522 /nfs/dbraw/zinc/46/95/22/386469522.db2.gz RVPLVGRUOXGYHV-ZJUUUORDSA-N 0 3 234.365 0.656 20 0 BCADHN CCN(CCNC(=O)c1cncn1C)C1CC1 ZINC000277865114 386472820 /nfs/dbraw/zinc/47/28/20/386472820.db2.gz ZLSZCGYEBHXFHO-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN C[C@@H](CNC(=O)[C@H](O)c1ccccc1)N(C)C ZINC000266841056 386473087 /nfs/dbraw/zinc/47/30/87/386473087.db2.gz ONVHDHSBBUOJLK-CMPLNLGQSA-N 0 3 236.315 0.786 20 0 BCADHN C[C@@H](CNC(=O)[C@@H](O)c1ccccc1)N(C)C ZINC000266841057 386473690 /nfs/dbraw/zinc/47/36/90/386473690.db2.gz ONVHDHSBBUOJLK-JQWIXIFHSA-N 0 3 236.315 0.786 20 0 BCADHN CO[C@@H](CN)C(=O)NCCc1ccccc1 ZINC000227344326 386475359 /nfs/dbraw/zinc/47/53/59/386475359.db2.gz YIKKMBOPNUSREQ-NSHDSACASA-N 0 3 222.288 0.319 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1ccc(C)cc1 ZINC000227345129 386475544 /nfs/dbraw/zinc/47/55/44/386475544.db2.gz GKOAQUGARGGRBX-NSHDSACASA-N 0 3 222.288 0.585 20 0 BCADHN C[C@@H]1CN(C(=O)NC[C@@H]2CCOC2)[C@H](C)CN1 ZINC000417286795 386475733 /nfs/dbraw/zinc/47/57/33/386475733.db2.gz VXMKQNUSXFFPET-MXWKQRLJSA-N 0 3 241.335 0.415 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)Cc1ccc(C)cc1 ZINC000227346690 386476112 /nfs/dbraw/zinc/47/61/12/386476112.db2.gz VMJFKCHJPARQDI-LBPRGKRZSA-N 0 3 236.315 0.927 20 0 BCADHN C[C@@H](CNC(=O)Cc1cnn(C)c1)N(C)C ZINC000299657888 386477106 /nfs/dbraw/zinc/47/71/06/386477106.db2.gz PXUROHNUKQJECK-VIFPVBQESA-N 0 3 224.308 0.029 20 0 BCADHN CO[C@@H](CN)C(=O)NCCc1cccc(F)c1 ZINC000227350043 386478234 /nfs/dbraw/zinc/47/82/34/386478234.db2.gz VESRCUSTGXQKCF-NSHDSACASA-N 0 3 240.278 0.458 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CN2CCOCC2)[C@H]1C ZINC000339562754 386478607 /nfs/dbraw/zinc/47/86/07/386478607.db2.gz JMKWQHYPLCSDCP-GRYCIOLGSA-N 0 3 228.336 0.020 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc(N(C)C)cc1 ZINC000227351240 386479264 /nfs/dbraw/zinc/47/92/64/386479264.db2.gz KPOBGIGBEAEWSL-LLVKDONJSA-N 0 3 237.303 0.665 20 0 BCADHN CO[C@H](CN)C(=O)NCc1cccc(Cl)c1 ZINC000227349259 386479614 /nfs/dbraw/zinc/47/96/14/386479614.db2.gz QQEMGLSJEDIDMG-SNVBAGLBSA-N 0 3 242.706 0.930 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1cnc(C)s1 ZINC000227366753 386479684 /nfs/dbraw/zinc/47/96/84/386479684.db2.gz NRFLXIGYJZGHEP-SECBINFHSA-N 0 3 243.332 0.384 20 0 BCADHN CN(C)CCNC(=O)N[C@H]1CCC[C@@H]1CCO ZINC000188395084 386480228 /nfs/dbraw/zinc/48/02/28/386480228.db2.gz PHGVPSCHQLOVDR-MNOVXSKESA-N 0 3 243.351 0.398 20 0 BCADHN CO[C@H](CN)C(=O)Nc1nc2ccccc2[nH]1 ZINC000227383679 386481394 /nfs/dbraw/zinc/48/13/94/386481394.db2.gz HJNUZVLDDKLQEH-SECBINFHSA-N 0 3 234.259 0.475 20 0 BCADHN CO[C@H](CN)C(=O)NCc1cc(F)ccc1F ZINC000227384329 386481860 /nfs/dbraw/zinc/48/18/60/386481860.db2.gz NFCCRYXYWRHIAR-SNVBAGLBSA-N 0 3 244.241 0.555 20 0 BCADHN CNS(=O)(=O)CCN[C@H](C)c1cccs1 ZINC000187171784 386483982 /nfs/dbraw/zinc/48/39/82/386483982.db2.gz BTKULSKYJGJIEB-MRVPVSSYSA-N 0 3 248.373 0.948 20 0 BCADHN C[C@H](O)C[C@@H]1COCCN1CC[C@@H]1CCOC1 ZINC000519560483 386488329 /nfs/dbraw/zinc/48/83/29/386488329.db2.gz CPBQSEUXHIHIHI-YNEHKIRRSA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)C[C@@H](C)NC(=O)NC[C@@H]1CNCCO1 ZINC000417927637 386491263 /nfs/dbraw/zinc/49/12/63/386491263.db2.gz MFEIIUUATNSRHI-MNOVXSKESA-N 0 3 243.351 0.709 20 0 BCADHN CN(C)CCN(C)C(=O)NCc1ccoc1 ZINC000267063842 386492815 /nfs/dbraw/zinc/49/28/15/386492815.db2.gz POBWVJONAJJBJB-UHFFFAOYSA-N 0 3 225.292 0.983 20 0 BCADHN C[C@@H](N)C(=O)N(C)[C@@H](C)c1cccnc1 ZINC000335435408 386493544 /nfs/dbraw/zinc/49/35/44/386493544.db2.gz SLODCGOBGTTXGQ-BDAKNGLRSA-N 0 3 207.277 0.948 20 0 BCADHN Cc1nnc(CCNC(=O)CN(C)C(C)C)[nH]1 ZINC000267130873 386497084 /nfs/dbraw/zinc/49/70/84/386497084.db2.gz FOCGHRSTQOOTCC-UHFFFAOYSA-N 0 3 239.323 0.112 20 0 BCADHN CC(C)[C@H]1CCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000135287901 386499062 /nfs/dbraw/zinc/49/90/62/386499062.db2.gz HVCIMKPMUBGLEW-NWDGAFQWSA-N 0 3 240.347 0.869 20 0 BCADHN CCN(CC)CC(=O)NCc1ncc(C)o1 ZINC000267143123 386500148 /nfs/dbraw/zinc/50/01/48/386500148.db2.gz YQEGMWKLVPBJHK-UHFFFAOYSA-N 0 3 225.292 0.941 20 0 BCADHN Cc1nc(CNC(=O)[C@@]2(C)CCCCN2)no1 ZINC000227695382 386502336 /nfs/dbraw/zinc/50/23/36/386502336.db2.gz IWVRBASGLJDIPC-LLVKDONJSA-N 0 3 238.291 0.526 20 0 BCADHN Nc1cccc(CN2C[C@@H](O)C[C@H]2CO)c1 ZINC000647971722 386508876 /nfs/dbraw/zinc/50/88/76/386508876.db2.gz URUJBYNWKZXKLR-RYUDHWBXSA-N 0 3 222.288 0.196 20 0 BCADHN CCN1C[C@@H](NCc2cccn2C)CC1=O ZINC000391622472 386509389 /nfs/dbraw/zinc/50/93/89/386509389.db2.gz UHJAIBJSFDSOEE-JTQLQIEISA-N 0 3 221.304 0.736 20 0 BCADHN COC[C@H](C)N1CCC([C@@H](O)C(=O)OC)CC1 ZINC000135384035 386512592 /nfs/dbraw/zinc/51/25/92/386512592.db2.gz VGAHTTFHAJLATJ-GXSJLCMTSA-N 0 3 245.319 0.267 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN[C@H](C)C1 ZINC000188439307 386513488 /nfs/dbraw/zinc/51/34/88/386513488.db2.gz ZSVVSUPYOKMEHC-OPRDCNLKSA-N 0 3 213.325 0.180 20 0 BCADHN CC(C)N(C)CC(=O)N1CCN[C@H](C)C1 ZINC000188439802 386516834 /nfs/dbraw/zinc/51/68/34/386516834.db2.gz CQHPHGJFAOPGQF-SNVBAGLBSA-N 0 3 213.325 0.147 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1CCn1cccn1 ZINC000399344415 386517198 /nfs/dbraw/zinc/51/71/98/386517198.db2.gz VELQOYJIEGVHSO-MNOVXSKESA-N 0 3 209.293 0.728 20 0 BCADHN Cc1ccc([C@H](O)CN[C@H](C)CC(N)=O)cc1 ZINC000267263428 386519465 /nfs/dbraw/zinc/51/94/65/386519465.db2.gz QOGVTWBVDNYZLG-ZYHUDNBSSA-N 0 3 236.315 0.882 20 0 BCADHN C[C@@H]1CN(C(=O)NCc2ncccn2)[C@@H](C)CN1 ZINC000519651206 386519696 /nfs/dbraw/zinc/51/96/96/386519696.db2.gz PPJIZWUFSJJPJM-ZJUUUORDSA-N 0 3 249.318 0.368 20 0 BCADHN Cc1cnn(CCC(=O)NC[C@@H](C)N(C)C)c1 ZINC000343234333 386520391 /nfs/dbraw/zinc/52/03/91/386520391.db2.gz JFRZPEPZPYWCFL-LLVKDONJSA-N 0 3 238.335 0.648 20 0 BCADHN CO[C@H](C)[C@H](C)NC[C@@H]1CCCCS1(=O)=O ZINC000336754759 386522186 /nfs/dbraw/zinc/52/21/86/386522186.db2.gz FYYOYTCPEHKSCD-AXFHLTTASA-N 0 3 249.376 0.967 20 0 BCADHN CC(C)[C@]1(CO)CCCN([C@H]2COC[C@@H]2O)C1 ZINC000339707045 386525419 /nfs/dbraw/zinc/52/54/19/386525419.db2.gz UOVDZZFLZAOKBB-RWMBFGLXSA-N 0 3 243.347 0.477 20 0 BCADHN Cc1c(CNC[C@]2(O)CCO[C@@H]2C)cnn1C ZINC000227967372 386526285 /nfs/dbraw/zinc/52/62/85/386526285.db2.gz UAEHTNHSFAJMKJ-ZYHUDNBSSA-N 0 3 239.319 0.358 20 0 BCADHN C[C@H]1OCC[C@]1(O)CNCc1ccnn1C ZINC000227977701 386527099 /nfs/dbraw/zinc/52/70/99/386527099.db2.gz QXLQYDCMKVDXKH-KOLCDFICSA-N 0 3 225.292 0.050 20 0 BCADHN COC[C@H](C)NC[C@H]1CN(C2CC2)CCO1 ZINC000164999570 386458156 /nfs/dbraw/zinc/45/81/56/386458156.db2.gz MROGGDWWVRQEEM-JQWIXIFHSA-N 0 3 228.336 0.474 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NC[C@@H]1CCC(=O)N1 ZINC000638422266 386460264 /nfs/dbraw/zinc/46/02/64/386460264.db2.gz JTLOUOWQMLVLFG-UWVGGRQHSA-N 0 3 241.335 0.145 20 0 BCADHN Cc1noc(C)c1CCN(CCO)C[C@H](C)O ZINC000336725541 386460453 /nfs/dbraw/zinc/46/04/53/386460453.db2.gz VERPYPUKXSFTAO-VIFPVBQESA-N 0 3 242.319 0.509 20 0 BCADHN COC[C@H](C)CNC(=O)[C@@H](N)C1CCC1 ZINC000399223400 386460917 /nfs/dbraw/zinc/46/09/17/386460917.db2.gz LONFDIVYCAHPCK-SCZZXKLOSA-N 0 3 214.309 0.513 20 0 BCADHN CCOC[C@@H](O)CN[C@@H](CO)c1ccsc1 ZINC000336778375 386461252 /nfs/dbraw/zinc/46/12/52/386461252.db2.gz LFFKUMJHVFSRNU-QWRGUYRKSA-N 0 3 245.344 0.769 20 0 BCADHN CN(CCNC(=O)[C@@H](N)c1ccccc1)C1CC1 ZINC000059931551 386462523 /nfs/dbraw/zinc/46/25/23/386462523.db2.gz AFNYHQPSFOAKRU-ZDUSSCGKSA-N 0 3 247.342 0.897 20 0 BCADHN CCN1C[C@H](NCc2nc(C)ccc2O)CC1=O ZINC000391594496 386463094 /nfs/dbraw/zinc/46/30/94/386463094.db2.gz GUNNNIDPBOTZBG-SNVBAGLBSA-N 0 3 249.314 0.806 20 0 BCADHN Cc1n[nH]cc1CNC[C@]1(O)CCO[C@@H]1C ZINC000227982063 386528386 /nfs/dbraw/zinc/52/83/86/386528386.db2.gz MWWMNCXGOITWEJ-MWLCHTKSSA-N 0 3 225.292 0.348 20 0 BCADHN Cc1occc1CNCCNC(=O)c1ccn[nH]1 ZINC000414438609 386465561 /nfs/dbraw/zinc/46/55/61/386465561.db2.gz VPYQMZSSLZEVGY-UHFFFAOYSA-N 0 3 248.286 0.831 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1nccnc1N ZINC000103204015 386578394 /nfs/dbraw/zinc/57/83/94/386578394.db2.gz BIBHPBWAULDFGM-UHFFFAOYSA-N 0 3 249.318 0.227 20 0 BCADHN CCOC[C@@H](O)CN1CC[C@@H](n2cccn2)C1 ZINC000291775055 386582588 /nfs/dbraw/zinc/58/25/88/386582588.db2.gz LYKAPERSQBAHSI-NEPJUHHUSA-N 0 3 239.319 0.527 20 0 BCADHN CCOC[C@@H](O)CN1CC[C@H](n2cccn2)C1 ZINC000291775059 386583008 /nfs/dbraw/zinc/58/30/08/386583008.db2.gz LYKAPERSQBAHSI-RYUDHWBXSA-N 0 3 239.319 0.527 20 0 BCADHN COC[C@H](C)N1CCN(CCO)[C@@H](C)C1 ZINC000187718519 386583867 /nfs/dbraw/zinc/58/38/67/386583867.db2.gz PZLQODSVVDQOJF-QWRGUYRKSA-N 0 3 216.325 0.020 20 0 BCADHN CCNC(=O)CN1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000408432397 386585159 /nfs/dbraw/zinc/58/51/59/386585159.db2.gz GGLNQWRENUGCGL-AXFHLTTASA-N 0 3 228.336 0.604 20 0 BCADHN CCNC(=O)CN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000408432399 386586158 /nfs/dbraw/zinc/58/61/58/386586158.db2.gz GGLNQWRENUGCGL-GARJFASQSA-N 0 3 228.336 0.604 20 0 BCADHN CO[C@@H](C)C(=O)NC[C@H](N)c1ccccc1 ZINC000160929896 386588579 /nfs/dbraw/zinc/58/85/79/386588579.db2.gz CFKHYGKUWUZDNX-ONGXEEELSA-N 0 3 222.288 0.838 20 0 BCADHN COC[C@H](C)CNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000417715235 386590402 /nfs/dbraw/zinc/59/04/02/386590402.db2.gz DKFKKXFGFUQHFZ-VWYCJHECSA-N 0 3 243.351 0.661 20 0 BCADHN COCC(C)(C)CN1CC(C)(C(N)=O)C1 ZINC000648050642 386590992 /nfs/dbraw/zinc/59/09/92/386590992.db2.gz RXRLSRDMMAJMNK-UHFFFAOYSA-N 0 3 214.309 0.466 20 0 BCADHN CSC[C@H](O)CN1CC[C@H](n2cccn2)C1 ZINC000291868954 386592794 /nfs/dbraw/zinc/59/27/94/386592794.db2.gz PPLVHVHQINKCRY-WDEREUQCSA-N 0 3 241.360 0.854 20 0 BCADHN CO[C@H]1CCN(C(=O)/C=C/CN(C)C)C1 ZINC000267877929 386594473 /nfs/dbraw/zinc/59/44/73/386594473.db2.gz MCNUSUGBCYMDEM-YEZKRMTDSA-N 0 3 212.293 0.352 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H](O)c1ccccc1 ZINC000267881451 386595314 /nfs/dbraw/zinc/59/53/14/386595314.db2.gz OUYASIRGUQCHHA-LBPRGKRZSA-N 0 3 236.315 0.740 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H](O)c1ccccc1 ZINC000267881450 386595821 /nfs/dbraw/zinc/59/58/21/386595821.db2.gz OUYASIRGUQCHHA-GFCCVEGCSA-N 0 3 236.315 0.740 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(C=O)[nH]1)N(C)C ZINC000267344067 386530884 /nfs/dbraw/zinc/53/08/84/386530884.db2.gz IGRQZOVOKKWLKF-QMMMGPOBSA-N 0 3 223.276 0.507 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C23CCCN2CCC3)CO1 ZINC000335457666 386535649 /nfs/dbraw/zinc/53/56/49/386535649.db2.gz QMEYTLDHKDIMAJ-GHMZBOCLSA-N 0 3 238.331 0.908 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C23CCCN2CCC3)CO1 ZINC000335457669 386536768 /nfs/dbraw/zinc/53/67/68/386536768.db2.gz QMEYTLDHKDIMAJ-WDEREUQCSA-N 0 3 238.331 0.908 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N1CCO[C@@H](C)C1 ZINC000637898812 386538392 /nfs/dbraw/zinc/53/83/92/386538392.db2.gz CAVTUSNIGXHOCE-WDEREUQCSA-N 0 3 228.336 0.997 20 0 BCADHN Cc1noc(C)c1S(=O)(=O)[N-]CC[C@H](C)[NH3+] ZINC000063171037 386540487 /nfs/dbraw/zinc/54/04/87/386540487.db2.gz JWJBGRZCGXKJND-LURJTMIESA-N 0 3 247.320 0.307 20 0 BCADHN Cc1cc(C(=O)N2CCC[C@H]2CN(C)C)[nH]n1 ZINC000267515111 386549228 /nfs/dbraw/zinc/54/92/28/386549228.db2.gz KEFPXRFRJRMHOA-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN Cc1cc(C(=O)N2CCC[C@H]2CN(C)C)n[nH]1 ZINC000267515111 386549235 /nfs/dbraw/zinc/54/92/35/386549235.db2.gz KEFPXRFRJRMHOA-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN CC[C@@H](O)CN1CCN(C)C[C@@H]1CC ZINC000519765657 386551320 /nfs/dbraw/zinc/55/13/20/386551320.db2.gz OKNHPWPGNWOGNM-WDEREUQCSA-N 0 3 200.326 0.783 20 0 BCADHN Cn1cc(CCNC(=O)[C@@H](N)C(C)(C)C)cn1 ZINC000123395828 386552793 /nfs/dbraw/zinc/55/27/93/386552793.db2.gz DPOCSUBFCQFOMB-SNVBAGLBSA-N 0 3 238.335 0.452 20 0 BCADHN CO[C@H](CN[C@@H](C)CS(C)(=O)=O)C(C)C ZINC000336756122 386553127 /nfs/dbraw/zinc/55/31/27/386553127.db2.gz IKTXKMBEGXHRBT-VHSXEESVSA-N 0 3 237.365 0.680 20 0 BCADHN O=C(C[C@H]1CCC[NH2+]1)NCc1ncccc1[O-] ZINC000519772647 386554589 /nfs/dbraw/zinc/55/45/89/386554589.db2.gz RRHKJRIKBPTANE-SECBINFHSA-N 0 3 235.287 0.546 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCNC[C@@](C)(F)C1 ZINC000335467501 386555310 /nfs/dbraw/zinc/55/53/10/386555310.db2.gz SNGRTYWBEQANJQ-BXKDBHETSA-N 0 3 243.326 0.287 20 0 BCADHN C[C@H]1C(=O)NCCCN1CC[C@@H]1CCCO1 ZINC000335402569 386556686 /nfs/dbraw/zinc/55/66/86/386556686.db2.gz BVBOEFRVDZNOHV-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCNC[C@@](C)(F)C1 ZINC000335467503 386556982 /nfs/dbraw/zinc/55/69/82/386556982.db2.gz SNGRTYWBEQANJQ-JOYOIKCWSA-N 0 3 243.326 0.287 20 0 BCADHN C[C@H]1C[C@@H](O)C[N@H+]1Cc1ncccc1[O-] ZINC000519793688 386557832 /nfs/dbraw/zinc/55/78/32/386557832.db2.gz RJAGLKBVDSTKGC-DTWKUNHWSA-N 0 3 208.261 0.742 20 0 BCADHN CCN(C)c1ccc(CNCCO)cn1 ZINC000190695816 386558034 /nfs/dbraw/zinc/55/80/34/386558034.db2.gz PPOAHJOQAWKQIL-UHFFFAOYSA-N 0 3 209.293 0.620 20 0 BCADHN C([C@H]1CCSC1)N1CCN2CCOC[C@H]2C1 ZINC000335403473 386558197 /nfs/dbraw/zinc/55/81/97/386558197.db2.gz FTMHDUKSEZGQNJ-VXGBXAGGSA-N 0 3 242.388 0.756 20 0 BCADHN NC(=O)NC(=O)CN1CC[C@@H]2CCC[C@@H]21 ZINC000335403033 386558819 /nfs/dbraw/zinc/55/88/19/386558819.db2.gz ZIYOPNIBRQEQTR-YUMQZZPRSA-N 0 3 211.265 0.056 20 0 BCADHN CC(C)N(C)CC(=O)N1CCO[C@@H](C)C1 ZINC000063465585 386560109 /nfs/dbraw/zinc/56/01/09/386560109.db2.gz FSEGXURZPLNGHG-JTQLQIEISA-N 0 3 214.309 0.574 20 0 BCADHN CCCC[C@H](N)C(=O)N(C)CCCOC ZINC000062033649 386560809 /nfs/dbraw/zinc/56/08/09/386560809.db2.gz IMMODOLRRBVPQI-JTQLQIEISA-N 0 3 216.325 0.999 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@H](CO)CC(C)C ZINC000278649193 386561940 /nfs/dbraw/zinc/56/19/40/386561940.db2.gz GOSNJLFAMIQALW-JTQLQIEISA-N 0 3 239.319 0.784 20 0 BCADHN Cn1cc([C@@H](NCCO)C2(CO)CCC2)cn1 ZINC000647945157 386562096 /nfs/dbraw/zinc/56/20/96/386562096.db2.gz TZWQLEDGMOHOBI-LLVKDONJSA-N 0 3 239.319 0.206 20 0 BCADHN NCc1cc(C(=O)NCCN2CC=CCC2)co1 ZINC000519821431 386562010 /nfs/dbraw/zinc/56/20/10/386562010.db2.gz DRVNHHAOBHAKNC-UHFFFAOYSA-N 0 3 249.314 0.730 20 0 BCADHN C[C@@H](O)C[C@H]1CCCCN1CC(=O)NC1CC1 ZINC000123735114 386562673 /nfs/dbraw/zinc/56/26/73/386562673.db2.gz VPDPIJYLFKAAOK-ZYHUDNBSSA-N 0 3 240.347 0.890 20 0 BCADHN Cc1ncncc1[C@H](C)NCCNC(=O)C1CC1 ZINC000519831279 386564807 /nfs/dbraw/zinc/56/48/07/386564807.db2.gz BBMSVLCBKDQACF-VIFPVBQESA-N 0 3 248.330 0.962 20 0 BCADHN COCC[C@@H](C)NCc1cc(C(N)=O)co1 ZINC000187577385 386564851 /nfs/dbraw/zinc/56/48/51/386564851.db2.gz FAXRUZAARKJRBA-MRVPVSSYSA-N 0 3 226.276 0.893 20 0 BCADHN CN(C)CC(C)(C)NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000457237603 386564983 /nfs/dbraw/zinc/56/49/83/386564983.db2.gz LGDXNVNRYCFMEJ-AXFHLTTASA-N 0 3 240.347 0.868 20 0 BCADHN Cc1ncncc1[C@@H](C)NCCNC(=O)C1CC1 ZINC000519831268 386566122 /nfs/dbraw/zinc/56/61/22/386566122.db2.gz BBMSVLCBKDQACF-SECBINFHSA-N 0 3 248.330 0.962 20 0 BCADHN C[C@H]1CN(CCOCC2CC2)CCN1CCO ZINC000187650516 386566716 /nfs/dbraw/zinc/56/67/16/386566716.db2.gz UJERNFWUUGFBPN-LBPRGKRZSA-N 0 3 242.363 0.411 20 0 BCADHN CN(C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000335408088 386568371 /nfs/dbraw/zinc/56/83/71/386568371.db2.gz RIUXONQGLJWTHR-ZCFIWIBFSA-N 0 3 207.224 0.255 20 0 BCADHN C[C@@H](CNC(=O)[C@]1(C)C[C@@H]1F)N(C)C ZINC000425317074 386568958 /nfs/dbraw/zinc/56/89/58/386568958.db2.gz QXNCKEWCSCIPHN-OYNCUSHFSA-N 0 3 202.273 0.801 20 0 BCADHN CC(C)N(CC(N)=O)C(=O)[C@@]1(C)CCCCN1 ZINC000136140278 386569448 /nfs/dbraw/zinc/56/94/48/386569448.db2.gz LPAMZIDFUDBKMV-GFCCVEGCSA-N 0 3 241.335 0.241 20 0 BCADHN Cc1ccc([O-])c(CN[C@@H](C[NH3+])C2CC2)n1 ZINC000414796852 386570345 /nfs/dbraw/zinc/57/03/45/386570345.db2.gz IBZKGAZUTJTHOT-JTQLQIEISA-N 0 3 221.304 0.923 20 0 BCADHN CN(C)CCNC(=O)CN1CCc2ccccc21 ZINC000243684417 386570619 /nfs/dbraw/zinc/57/06/19/386570619.db2.gz PIQBDUKAYGSDDI-UHFFFAOYSA-N 0 3 247.342 0.727 20 0 BCADHN Cc1nnc(N(C)C(=O)/C=C/CN(C)C)s1 ZINC000291914222 386598053 /nfs/dbraw/zinc/59/80/53/386598053.db2.gz SYLWKMRBSIIJKY-AATRIKPKSA-N 0 3 240.332 0.927 20 0 BCADHN Cc1cc(N)cc(CNC(=O)[C@H](C)N)c1 ZINC000335497153 386621486 /nfs/dbraw/zinc/62/14/86/386621486.db2.gz WJFOQVXJYFTIKJ-QMMMGPOBSA-N 0 3 207.277 0.541 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCOC1)N(C)C ZINC000179228792 386621685 /nfs/dbraw/zinc/62/16/85/386621685.db2.gz KEMINHLCLOEIQF-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@H]1CCCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000335498635 386623630 /nfs/dbraw/zinc/62/36/30/386623630.db2.gz RQFOFGLECZGOHB-JTQLQIEISA-N 0 3 241.335 0.052 20 0 BCADHN Cn1nncc1CNC[C@]1(O)CCCC1(C)C ZINC000328782809 386625788 /nfs/dbraw/zinc/62/57/88/386625788.db2.gz GHJZYLFJLRZDRH-GFCCVEGCSA-N 0 3 238.335 0.846 20 0 BCADHN Cc1c(CC(=O)NC[C@H](C)N(C)C)cnn1C ZINC000292172189 386626981 /nfs/dbraw/zinc/62/69/81/386626981.db2.gz GOZCYGSUCJADGL-VIFPVBQESA-N 0 3 238.335 0.337 20 0 BCADHN O=C1CCCN1CCN1CCC[C@@H](O)CC1 ZINC000339782438 386627330 /nfs/dbraw/zinc/62/73/30/386627330.db2.gz OHSWIWVLQFIFNO-LLVKDONJSA-N 0 3 226.320 0.456 20 0 BCADHN Cc1noc([C@H]2CCN([C@@H]3CCOC3)C2)n1 ZINC000329198216 386627463 /nfs/dbraw/zinc/62/74/63/386627463.db2.gz UPAJCUMVUGIPBR-VHSXEESVSA-N 0 3 223.276 0.956 20 0 BCADHN COC(=O)CCCN1CC[C@H](c2nnc[nH]2)C1 ZINC000425553412 386628420 /nfs/dbraw/zinc/62/84/20/386628420.db2.gz UJNGWILIJIQTCY-VIFPVBQESA-N 0 3 238.291 0.547 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CC[C@](O)(CC)C1 ZINC000425923148 386631656 /nfs/dbraw/zinc/63/16/56/386631656.db2.gz SZHTVRZRKDPBDS-NWDGAFQWSA-N 0 3 245.319 0.147 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CC[C@@](O)(CC)C1 ZINC000425923149 386631820 /nfs/dbraw/zinc/63/18/20/386631820.db2.gz SZHTVRZRKDPBDS-RYUDHWBXSA-N 0 3 245.319 0.147 20 0 BCADHN C[C@@H](CO)CN1CCC[C@H](n2ccnn2)C1 ZINC000644947858 386634723 /nfs/dbraw/zinc/63/47/23/386634723.db2.gz YZONGQDXEOIKCM-MNOVXSKESA-N 0 3 224.308 0.543 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@](O)(CC)C1 ZINC000425920151 386635886 /nfs/dbraw/zinc/63/58/86/386635886.db2.gz PGTFOLFPXKMHBX-NSHDSACASA-N 0 3 214.309 0.312 20 0 BCADHN Cc1cn[nH]c1CN[C@@H](C)CCS(C)(=O)=O ZINC000336758777 386640402 /nfs/dbraw/zinc/64/04/02/386640402.db2.gz ZSQWAAKYTNLKTK-VIFPVBQESA-N 0 3 245.348 0.631 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](O)C2(CC2)C1 ZINC000335508541 386641288 /nfs/dbraw/zinc/64/12/88/386641288.db2.gz QBPYTAJDISQHGM-JTQLQIEISA-N 0 3 226.320 0.310 20 0 BCADHN C[C@H]1C[C@H](NC(=O)NCCCCO)CCN1C ZINC000426082633 386652807 /nfs/dbraw/zinc/65/28/07/386652807.db2.gz ZTCLYFLYLPHFOG-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN Cc1nccc(CN2CC[C@H](CO)[C@@H]2C)n1 ZINC000353229833 386656428 /nfs/dbraw/zinc/65/64/28/386656428.db2.gz FWAXAXFXYUXTDE-GXSJLCMTSA-N 0 3 221.304 0.988 20 0 BCADHN C[C@@H]1C[C@H](Nc2nccn(C)c2=O)CN1C1CC1 ZINC000267909691 386599215 /nfs/dbraw/zinc/59/92/15/386599215.db2.gz ZDQJOGNSEGETLZ-ZJUUUORDSA-N 0 3 248.330 0.817 20 0 BCADHN COC[C@H](C)N(C)[C@@H](C)C[S@](C)=O ZINC000187827776 386601304 /nfs/dbraw/zinc/60/13/04/386601304.db2.gz GJDDOZWIGWXNBQ-RVBZMBCESA-N 0 3 207.339 0.720 20 0 BCADHN CN(CCN1CCNC1=O)C[C@H]1CCC[C@@H]1O ZINC000328637067 386603512 /nfs/dbraw/zinc/60/35/12/386603512.db2.gz CPWPMARZXCWBTG-MNOVXSKESA-N 0 3 241.335 0.309 20 0 BCADHN CN(CCN1CCNC1=O)C[C@@H]1CCC[C@H]1O ZINC000328637069 386604762 /nfs/dbraw/zinc/60/47/62/386604762.db2.gz CPWPMARZXCWBTG-WDEREUQCSA-N 0 3 241.335 0.309 20 0 BCADHN CCO[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366500824 386607089 /nfs/dbraw/zinc/60/70/89/386607089.db2.gz CTDZHHGGYQRAPV-QEYWKRMJSA-N 0 3 230.283 0.228 20 0 BCADHN CC(C)N1CCC[C@@H](N2CCC[C@@H](O)C2)C1=O ZINC000248370248 386608123 /nfs/dbraw/zinc/60/81/23/386608123.db2.gz XFPVRBQMZSUOCN-VXGBXAGGSA-N 0 3 240.347 0.843 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366500823 386608399 /nfs/dbraw/zinc/60/83/99/386608399.db2.gz CTDZHHGGYQRAPV-AXTSPUMRSA-N 0 3 230.283 0.228 20 0 BCADHN C[C@H](O)CCN1CCN(C[C@H]2CCCO2)CC1 ZINC000644918698 386613368 /nfs/dbraw/zinc/61/33/68/386613368.db2.gz VGKABAZLEDVMAG-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN NC(=O)NC(=O)CN1CC[C@H](C2CCCC2)C1 ZINC000335493871 386613968 /nfs/dbraw/zinc/61/39/68/386613968.db2.gz ZBHPJHXQSUBQET-JTQLQIEISA-N 0 3 239.319 0.693 20 0 BCADHN NCC(=O)N1CCC(Cn2cccn2)CC1 ZINC000430726275 386615851 /nfs/dbraw/zinc/61/58/51/386615851.db2.gz ZSTOCDUSCUYJLE-UHFFFAOYSA-N 0 3 222.292 0.080 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000268080488 386616008 /nfs/dbraw/zinc/61/60/08/386616008.db2.gz CWENYLHFJAPGIA-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN CO[C@@H](CN1CCNC(=O)C[C@H]1C)C1CC1 ZINC000644927868 386617883 /nfs/dbraw/zinc/61/78/83/386617883.db2.gz OIWYDXYKVSUDLF-KOLCDFICSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](O)CCN1CCN(C(C)(C)CO)CC1 ZINC000644926864 386618266 /nfs/dbraw/zinc/61/82/66/386618266.db2.gz YFTUTUKKPIGZKF-NSHDSACASA-N 0 3 230.352 0.146 20 0 BCADHN CN(C)c1ccccc1CNC[C@@H]1CNCCO1 ZINC000415098841 386618505 /nfs/dbraw/zinc/61/85/05/386618505.db2.gz WVSUEICBXUYSFO-ZDUSSCGKSA-N 0 3 249.358 0.831 20 0 BCADHN CN(C[C@@H]1CCC(C)(C)O1)CC(C)(CO)CO ZINC000184676231 386618512 /nfs/dbraw/zinc/61/85/12/386618512.db2.gz LTQFPBJRLYFSTP-NSHDSACASA-N 0 3 245.363 0.867 20 0 BCADHN CCCN(Cc1cn(C)nn1)[C@H]1CCN(C)C1 ZINC000648056475 386659124 /nfs/dbraw/zinc/65/91/24/386659124.db2.gz JMVIMHNDOLIFCC-LBPRGKRZSA-N 0 3 237.351 0.731 20 0 BCADHN CS[C@H]1CC[C@H]1N[C@@H](C)C(=O)N(C)C ZINC000425330611 386662567 /nfs/dbraw/zinc/66/25/67/386662567.db2.gz BBZSFGZASYZVLT-YIZRAAEISA-N 0 3 216.350 0.947 20 0 BCADHN CS[C@@H]1CC[C@H]1NC1(C(N)=O)CC1 ZINC000425331561 386666386 /nfs/dbraw/zinc/66/63/86/386666386.db2.gz BTGAXZAQYOXYIU-RNFRBKRXSA-N 0 3 200.307 0.488 20 0 BCADHN COC[C@H](O)CNCc1ccc2cnn(C)c2c1 ZINC000520399176 386667955 /nfs/dbraw/zinc/66/79/55/386667955.db2.gz WDOZRQHADGACIX-GFCCVEGCSA-N 0 3 249.314 0.670 20 0 BCADHN CC[C@@H](C(=O)NCc1ccnc(C)n1)N(C)C ZINC000124899314 386669832 /nfs/dbraw/zinc/66/98/32/386669832.db2.gz PUNVTURISVTTBQ-NSHDSACASA-N 0 3 236.319 0.741 20 0 BCADHN CC(C)(CO)[C@H](NCCO)c1cccnc1 ZINC000647952446 386671004 /nfs/dbraw/zinc/67/10/04/386671004.db2.gz BSMNAQKMJHJQTI-LLVKDONJSA-N 0 3 224.304 0.723 20 0 BCADHN CC[C@@H](CCO)CNC(=O)/C=C/CN(C)C ZINC000268634697 386671563 /nfs/dbraw/zinc/67/15/63/386671563.db2.gz MQSSQEXDKNAWTR-QRGHLMKCSA-N 0 3 228.336 0.629 20 0 BCADHN CCOCCN[C@H](CO)[C@@H]1CCCO1 ZINC000336647898 386680046 /nfs/dbraw/zinc/68/00/46/386680046.db2.gz FTAFZODTDYCCBY-ZJUUUORDSA-N 0 3 203.282 0.152 20 0 BCADHN CCOCCN[C@H](CO)[C@H]1CCCO1 ZINC000336647894 386680191 /nfs/dbraw/zinc/68/01/91/386680191.db2.gz FTAFZODTDYCCBY-NXEZZACHSA-N 0 3 203.282 0.152 20 0 BCADHN C[C@H](O)CN(C)CCN1CCOC(C)(C)C1 ZINC000337231528 386681064 /nfs/dbraw/zinc/68/10/64/386681064.db2.gz IZFUNEFPVMBWQG-NSHDSACASA-N 0 3 230.352 0.410 20 0 BCADHN Cn1cc(CCN(CC(N)=O)C(C)(C)C)cn1 ZINC000268513305 386658935 /nfs/dbraw/zinc/65/89/35/386658935.db2.gz XHKANXGVNOILET-UHFFFAOYSA-N 0 3 238.335 0.548 20 0 BCADHN Cc1c[nH]nc1CN1CCNC[C@](C)(F)C1 ZINC000335482157 386709822 /nfs/dbraw/zinc/70/98/22/386709822.db2.gz ZXMDWVBNLQJAIT-NSHDSACASA-N 0 3 226.299 0.852 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000121624608 386710478 /nfs/dbraw/zinc/71/04/78/386710478.db2.gz RGQFTKGHBUIZJI-RQJHMYQMSA-N 0 3 240.307 0.892 20 0 BCADHN COC(=O)C(C)(C)CCN1C[C@@H](O)C[C@H]1CO ZINC000330423665 386711110 /nfs/dbraw/zinc/71/11/10/386711110.db2.gz FGBZIXCAWRJCRL-UWVGGRQHSA-N 0 3 245.319 0.003 20 0 BCADHN CCN[C@@H](C)C(=O)NCC(=O)Nc1ccccc1 ZINC000637937107 386683528 /nfs/dbraw/zinc/68/35/28/386683528.db2.gz REWJOWHWFRHPJT-JTQLQIEISA-N 0 3 249.314 0.739 20 0 BCADHN C[C@H](NCCO)c1ccc(-n2cnnn2)cc1 ZINC000268708325 386684506 /nfs/dbraw/zinc/68/45/06/386684506.db2.gz CSXUQKKSKTYNPZ-VIFPVBQESA-N 0 3 233.275 0.305 20 0 BCADHN CCN(C[C@@H]1CCCO1)C(=O)[C@H](N)C(C)C ZINC000042470675 386686787 /nfs/dbraw/zinc/68/67/87/386686787.db2.gz UCSBFYMPXUKYPH-WDEREUQCSA-N 0 3 228.336 0.997 20 0 BCADHN COC(=O)CCCN1CCN(C)[C@@H](C)[C@H]1C ZINC000357011754 386687424 /nfs/dbraw/zinc/68/74/24/386687424.db2.gz YGMIOQCACGEXFO-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN Cn1cccc1CN1CC[C@@]2(CNC(=O)C2)C1 ZINC000279488547 386689247 /nfs/dbraw/zinc/68/92/47/386689247.db2.gz USPRUNKLCMRQGG-CYBMUJFWSA-N 0 3 233.315 0.737 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CC[C@@H]1C(=O)OC ZINC000352839627 386689343 /nfs/dbraw/zinc/68/93/43/386689343.db2.gz ADCQJIQFNOTJAO-ZJUUUORDSA-N 0 3 242.319 0.254 20 0 BCADHN C[C@@H](C1CCC1)N(C)CC(=O)N1CCOCC1 ZINC000357008433 386690058 /nfs/dbraw/zinc/69/00/58/386690058.db2.gz GEBJOUAQHYCUNG-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)N(CC(N)=O)C[C@H]1CCC[C@@H](O)C1 ZINC000647956534 386690181 /nfs/dbraw/zinc/69/01/81/386690181.db2.gz YDFXLGMCXWFRJQ-WDEREUQCSA-N 0 3 228.336 0.733 20 0 BCADHN NC1(C(=O)N2CCC[C@H](n3cccn3)C2)CCC1 ZINC000335472327 386692323 /nfs/dbraw/zinc/69/23/23/386692323.db2.gz ZWKOYSCZAKESHQ-NSHDSACASA-N 0 3 248.330 0.928 20 0 BCADHN CCN(CCCO)C(=O)[C@H]1CCCN1C ZINC000339837498 386693223 /nfs/dbraw/zinc/69/32/23/386693223.db2.gz PUKYAJLCHQLTTI-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN C[C@@H](O)CN1CCN(C2CCOCC2)C[C@H]1C ZINC000337265107 386695386 /nfs/dbraw/zinc/69/53/86/386695386.db2.gz YGJDBMAWIDSSSZ-VXGBXAGGSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)C1)CN(C)C ZINC000520586547 386698182 /nfs/dbraw/zinc/69/81/82/386698182.db2.gz CADLSPPMVCSBLC-VHSXEESVSA-N 0 3 226.320 0.670 20 0 BCADHN CCC[C@H](O)CN1CC[C@H](C)C[C@H]1C(N)=O ZINC000450782136 386698601 /nfs/dbraw/zinc/69/86/01/386698601.db2.gz WJADTWFUMNRZPL-DCAQKATOSA-N 0 3 228.336 0.733 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@H](O)COC ZINC000520571667 386700224 /nfs/dbraw/zinc/70/02/24/386700224.db2.gz BEUPURHKZAXRKI-MNOVXSKESA-N 0 3 216.325 0.020 20 0 BCADHN C[C@H]1CCN(CCNC(=O)CN(C)C)C1 ZINC000526944175 386701401 /nfs/dbraw/zinc/70/14/01/386701401.db2.gz ZPHVFTWVANQRHP-JTQLQIEISA-N 0 3 213.325 0.006 20 0 BCADHN COC(=O)CCN1CCN(C)[C@@H](C)[C@H]1C ZINC000357043713 386702573 /nfs/dbraw/zinc/70/25/73/386702573.db2.gz REATVMIPAGBFHW-VHSXEESVSA-N 0 3 214.309 0.574 20 0 BCADHN CNC(=O)C[C@@H](NC(=O)[C@H](C)N)c1ccccc1 ZINC000520584256 386703521 /nfs/dbraw/zinc/70/35/21/386703521.db2.gz MCXPMWHQKYIKOX-GXSJLCMTSA-N 0 3 249.314 0.327 20 0 BCADHN CCc1ccc([C@H](CO)NCCO)cc1 ZINC000336760208 386704267 /nfs/dbraw/zinc/70/42/67/386704267.db2.gz LPGFAEKOJGFRJC-LBPRGKRZSA-N 0 3 209.289 0.864 20 0 BCADHN C[C@@H](CNc1nc(C(N)=O)cs1)N(C)C ZINC000292616853 386705759 /nfs/dbraw/zinc/70/57/59/386705759.db2.gz XGDQGEHOJSRLHC-LURJTMIESA-N 0 3 228.321 0.604 20 0 BCADHN CNCC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000335481306 386706761 /nfs/dbraw/zinc/70/67/61/386706761.db2.gz VLEZGWBKCGZAOA-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN Cc1nc(CN[C@H]2CCCC[C@@H]2C(N)=O)n[nH]1 ZINC000292674165 386707835 /nfs/dbraw/zinc/70/78/35/386707835.db2.gz BPURNQDQCRZYAV-IUCAKERBSA-N 0 3 237.307 0.247 20 0 BCADHN CC[C@@H](C(=O)N(C)Cc1nnc[n-]1)[NH+](C)C ZINC000330412590 386708030 /nfs/dbraw/zinc/70/80/30/386708030.db2.gz BHLCMIKKKIUCQR-QMMMGPOBSA-N 0 3 225.296 0.103 20 0 BCADHN Cc1nc(CN[C@@H]2CCCC[C@@H]2C(N)=O)n[nH]1 ZINC000292674161 386708341 /nfs/dbraw/zinc/70/83/41/386708341.db2.gz BPURNQDQCRZYAV-DTWKUNHWSA-N 0 3 237.307 0.247 20 0 BCADHN CC[C@@H](O)CNC(=O)NC1CCN(C)CC1 ZINC000645115741 386730508 /nfs/dbraw/zinc/73/05/08/386730508.db2.gz BIDJZILWBGEMAK-SNVBAGLBSA-N 0 3 229.324 0.151 20 0 BCADHN Cc1c[nH]nc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000643364566 386735751 /nfs/dbraw/zinc/73/57/51/386735751.db2.gz WLIBQKNMIRDWNV-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN COC[C@@H](CO)NCc1cccc2nccn21 ZINC000279785152 386736815 /nfs/dbraw/zinc/73/68/15/386736815.db2.gz LQJRWNJZTITOHD-SNVBAGLBSA-N 0 3 235.287 0.431 20 0 BCADHN CN(C)CC[C@](C)(O)CNC(=O)[C@@H]1CC1(C)C ZINC000357200832 386737045 /nfs/dbraw/zinc/73/70/45/386737045.db2.gz ITAIRXPTSPLOJW-GWCFXTLKSA-N 0 3 242.363 0.851 20 0 BCADHN CN(CCOCc1ccccc1)C(=O)CN ZINC000122144718 386737350 /nfs/dbraw/zinc/73/73/50/386737350.db2.gz NPMPMDGLFGXZMW-UHFFFAOYSA-N 0 3 222.288 0.620 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2CCN(C)CC2)CO1 ZINC000335535224 386737598 /nfs/dbraw/zinc/73/75/98/386737598.db2.gz WESDEKBJWZNKRR-KOLCDFICSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@H](CO)NCc1ccc2c[nH]nc2c1 ZINC000279811429 386738395 /nfs/dbraw/zinc/73/83/95/386738395.db2.gz OODBWNXCCHJTCV-NSHDSACASA-N 0 3 235.287 0.660 20 0 BCADHN CC[C@@H](C)N1CCC(S(=O)(=O)NC)CC1 ZINC000334539203 386739352 /nfs/dbraw/zinc/73/93/52/386739352.db2.gz JUHLVHDMLPOZQN-SECBINFHSA-N 0 3 234.365 0.799 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)Cn1cccn1)N(C)C ZINC000330428027 386712739 /nfs/dbraw/zinc/71/27/39/386712739.db2.gz JHXKILXMDKUMGR-MNOVXSKESA-N 0 3 238.335 0.728 20 0 BCADHN CC[C@H](N)C(=O)NCC1CCSCC1 ZINC000157564704 386713523 /nfs/dbraw/zinc/71/35/23/386713523.db2.gz HPHWXWALUAHILS-VIFPVBQESA-N 0 3 216.350 0.983 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC2(CCO2)CC1 ZINC000367252969 386713908 /nfs/dbraw/zinc/71/39/08/386713908.db2.gz SDLLVEYMXZYQKX-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN CCn1cc(NC(=O)[C@H]2NCC2(C)C)cn1 ZINC000645443886 386716970 /nfs/dbraw/zinc/71/69/70/386716970.db2.gz WTLIBHRNUWOCIO-SECBINFHSA-N 0 3 222.292 0.840 20 0 BCADHN COCc1nnc(N(C)CCN(C)C)s1 ZINC000357120033 386720166 /nfs/dbraw/zinc/72/01/66/386720166.db2.gz HDQPIZPSJRFXSY-UHFFFAOYSA-N 0 3 230.337 0.682 20 0 BCADHN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H](C)N ZINC000121810287 386725022 /nfs/dbraw/zinc/72/50/22/386725022.db2.gz QYVZZAIFPLTGLV-MXWKQRLJSA-N 0 3 228.336 0.901 20 0 BCADHN C[C@@]1(C(N)=O)CCN(CC2(F)CC2)C1 ZINC000526995246 386725278 /nfs/dbraw/zinc/72/52/78/386725278.db2.gz DVVZBEZBWAADIB-SECBINFHSA-N 0 3 200.257 0.686 20 0 BCADHN CO[C@H](C(=O)N1CCNC(C)(C)C1)C1CC1 ZINC000335542655 386725800 /nfs/dbraw/zinc/72/58/00/386725800.db2.gz QOMURIOPMPNQMR-JTQLQIEISA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](N[C@H]1CS[C@H](C)C1)C(=O)NCCF ZINC000639152396 386726274 /nfs/dbraw/zinc/72/62/74/386726274.db2.gz BFRCMZYTOALWJS-IWSPIJDZSA-N 0 3 234.340 0.944 20 0 BCADHN CCOCCN1CC[C@H](NC(N)=O)C1 ZINC000330515024 386744776 /nfs/dbraw/zinc/74/47/76/386744776.db2.gz HTVLJWQRKWJMRL-QMMMGPOBSA-N 0 3 201.270 0.180 20 0 BCADHN CCOCCN1CC[C@@H](NC(N)=O)C1 ZINC000330515018 386745184 /nfs/dbraw/zinc/74/51/84/386745184.db2.gz HTVLJWQRKWJMRL-MRVPVSSYSA-N 0 3 201.270 0.180 20 0 BCADHN COC(=O)[C@H](CNC(=O)CN)c1ccccc1 ZINC000269067132 386746233 /nfs/dbraw/zinc/74/62/33/386746233.db2.gz PEKQLDLUURDHNP-SNVBAGLBSA-N 0 3 236.271 0.018 20 0 BCADHN CO[C@@H]1CCN(CC(=O)N(C)C)[C@H](C)C1 ZINC000334148334 386746215 /nfs/dbraw/zinc/74/62/15/386746215.db2.gz FZJQXIOLYXXAHC-NXEZZACHSA-N 0 3 214.309 0.574 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(CNC(C)=O)cc1 ZINC000269064399 386746532 /nfs/dbraw/zinc/74/65/32/386746532.db2.gz ZAVBZYGVPQGORN-LBPRGKRZSA-N 0 3 249.314 0.999 20 0 BCADHN CO[C@@H]1CCN(CC(=O)N(C)C)[C@@H](C)C1 ZINC000334148338 386746919 /nfs/dbraw/zinc/74/69/19/386746919.db2.gz FZJQXIOLYXXAHC-VHSXEESVSA-N 0 3 214.309 0.574 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000334146067 386747256 /nfs/dbraw/zinc/74/72/56/386747256.db2.gz OINLIAUQBQNRSZ-BDAKNGLRSA-N 0 3 241.335 0.938 20 0 BCADHN CC[C@H](N)C(=O)Nc1c2c(nn1C)CCC2 ZINC000269080846 386748139 /nfs/dbraw/zinc/74/81/39/386748139.db2.gz HWUGKURPWFLLPI-QMMMGPOBSA-N 0 3 222.292 0.585 20 0 BCADHN CC(C(=O)N(C)Cc1ccoc1)S(C)(=O)=O ZINC000330517887 386748677 /nfs/dbraw/zinc/74/86/77/386748677.db2.gz XZAHSYBDTHHDOC-MRVPVSSYSA-N 0 3 245.300 0.671 20 0 BCADHN CN1CCC(NC(=O)N2CCCO2)CC1 ZINC000334149793 386748929 /nfs/dbraw/zinc/74/89/29/386748929.db2.gz HZYBSFCCBBFFSZ-UHFFFAOYSA-N 0 3 213.281 0.428 20 0 BCADHN C[C@@H](O)C1CCN(CCc2cn[nH]n2)CC1 ZINC000647963902 386750293 /nfs/dbraw/zinc/75/02/93/386750293.db2.gz HGWKHKMYYAPISN-SECBINFHSA-N 0 3 224.308 0.440 20 0 BCADHN C[C@H](N)C(=O)NC(C)(C)C(=O)Nc1ccccc1 ZINC000648065508 386751993 /nfs/dbraw/zinc/75/19/93/386751993.db2.gz GMDBUCNVZRUDGO-VIFPVBQESA-N 0 3 249.314 0.867 20 0 BCADHN CCN(CC)CC(=O)NCc1cncnc1N ZINC000269130152 386753530 /nfs/dbraw/zinc/75/35/30/386753530.db2.gz KUMVYPUAYNNSTM-UHFFFAOYSA-N 0 3 237.307 0.017 20 0 BCADHN C[C@H]1C(=O)N(CCN(C)C)CN1CC1(C)CC1 ZINC000648065549 386753794 /nfs/dbraw/zinc/75/37/94/386753794.db2.gz HULQMZSMGJEZMO-NSHDSACASA-N 0 3 239.363 0.838 20 0 BCADHN Cn1ccc(CNCCCc2cnn(C)n2)n1 ZINC000292950360 386754686 /nfs/dbraw/zinc/75/46/86/386754686.db2.gz KLQLQHPNSQKQDZ-UHFFFAOYSA-N 0 3 234.307 0.271 20 0 BCADHN CC(C(=O)NCC(F)(F)F)S(C)(=O)=O ZINC000045801432 386755054 /nfs/dbraw/zinc/75/50/54/386755054.db2.gz RINBPBNYTGDINR-SCSAIBSYSA-N 0 3 233.211 0.098 20 0 BCADHN C[C@H]1C[C@@H](NCc2cnc(N)nc2N)CS1 ZINC000639263391 386757175 /nfs/dbraw/zinc/75/71/75/386757175.db2.gz UJPWJVMTAHCKFM-POYBYMJQSA-N 0 3 239.348 0.285 20 0 BCADHN CCN(CC(=O)N1CCN(C)CC1)C1CCC1 ZINC000357304568 386757224 /nfs/dbraw/zinc/75/72/24/386757224.db2.gz JZLUUPQDCQSAJW-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H]2NCC2(C)C)CCO1 ZINC000645335332 386757856 /nfs/dbraw/zinc/75/78/56/386757856.db2.gz YTWIDFWQTRNIPZ-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN CN(C)c1ccc(CNC(=O)C2(N)CC2)cn1 ZINC000269226894 386764700 /nfs/dbraw/zinc/76/47/00/386764700.db2.gz FJWUBBIMQJSMFU-UHFFFAOYSA-N 0 3 234.303 0.255 20 0 BCADHN CC[C@@H](C(=O)NCc1ccn(C)n1)N(C)C ZINC000330548549 386766196 /nfs/dbraw/zinc/76/61/96/386766196.db2.gz DBOGCMGJRAPCNZ-JTQLQIEISA-N 0 3 224.308 0.377 20 0 BCADHN COC[C@H](O)CN1CCN(C)[C@H](C)[C@H]1C ZINC000348926572 386766429 /nfs/dbraw/zinc/76/64/29/386766429.db2.gz IUOGZGHSLYCHOK-GMTAPVOTSA-N 0 3 216.325 0.018 20 0 BCADHN Cc1noc2ncc(NC(=O)[C@H](C)N)cc12 ZINC000269243910 386767825 /nfs/dbraw/zinc/76/78/25/386767825.db2.gz LDPRDZQLPSJWRB-YFKPBYRVSA-N 0 3 220.232 0.817 20 0 BCADHN COC[C@H](O)CN1CCN(C)[C@H](C)[C@@H]1C ZINC000348926574 386768812 /nfs/dbraw/zinc/76/88/12/386768812.db2.gz IUOGZGHSLYCHOK-OUAUKWLOSA-N 0 3 216.325 0.018 20 0 BCADHN CCC[C@H](N)C(=O)NC(C)(C)c1noc(C)n1 ZINC000269046515 386741991 /nfs/dbraw/zinc/74/19/91/386741991.db2.gz FURDUJKXZASZCJ-QMMMGPOBSA-N 0 3 240.307 0.857 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)[C@H]1CCCO1 ZINC000335538570 386743066 /nfs/dbraw/zinc/74/30/66/386743066.db2.gz GDIIXAXXIXQBIT-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@H](O)CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000192520843 386790043 /nfs/dbraw/zinc/79/00/43/386790043.db2.gz CGOGWJGIUYIQQZ-KXUCPTDWSA-N 0 3 241.335 0.292 20 0 BCADHN Cc1n[nH]c(C)c1CN1CC[C@](C)(C(N)=O)C1 ZINC000280216882 386790315 /nfs/dbraw/zinc/79/03/15/386790315.db2.gz IXQQNOLAKJGNMC-LBPRGKRZSA-N 0 3 236.319 0.724 20 0 BCADHN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CCO ZINC000340864518 386792453 /nfs/dbraw/zinc/79/24/53/386792453.db2.gz PULVIAMBYLJFPA-RYUDHWBXSA-N 0 3 228.336 0.700 20 0 BCADHN Cc1ccncc1CN1CC[C@H](C(N)=O)C1 ZINC000269450862 386795189 /nfs/dbraw/zinc/79/51/89/386795189.db2.gz CKYJTWGUXODMTG-JTQLQIEISA-N 0 3 219.288 0.697 20 0 BCADHN CC[C@@H](C)NC(=O)CN(C[C@H](C)O)C(C)C ZINC000340780228 386771234 /nfs/dbraw/zinc/77/12/34/386771234.db2.gz DFUCIVFMWGOZFO-MNOVXSKESA-N 0 3 230.352 0.992 20 0 BCADHN CC(C)N(CC(=O)N1CCC1)C[C@H](C)O ZINC000340776085 386772978 /nfs/dbraw/zinc/77/29/78/386772978.db2.gz WRLFFUVOUNEDMC-JTQLQIEISA-N 0 3 214.309 0.310 20 0 BCADHN Cn1cc(CNCCCc2cnn(C)n2)cn1 ZINC000293107240 386775887 /nfs/dbraw/zinc/77/58/87/386775887.db2.gz YGYIJLBCWPFEMQ-UHFFFAOYSA-N 0 3 234.307 0.271 20 0 BCADHN CN(C)CCN(C)C(=O)CCc1cncn1C ZINC000280069135 386776199 /nfs/dbraw/zinc/77/61/99/386776199.db2.gz XJJRAWYWNVKEQZ-UHFFFAOYSA-N 0 3 238.335 0.373 20 0 BCADHN COC(=O)CCCNC(=O)[C@H](N)CC(F)F ZINC000336666610 386778673 /nfs/dbraw/zinc/77/86/73/386778673.db2.gz PVUUOJRFYFHCHE-ZCFIWIBFSA-N 0 3 238.234 0.038 20 0 BCADHN CC[C@](C)(O)CN1CC[C@H](NC(=O)NC)C1 ZINC000408443865 386779489 /nfs/dbraw/zinc/77/94/89/386779489.db2.gz QSQADOHGTUNGPZ-ONGXEEELSA-N 0 3 229.324 0.151 20 0 BCADHN CC(C(=O)N[C@@H]1CCC[C@@H]1F)S(C)(=O)=O ZINC000340807204 386779646 /nfs/dbraw/zinc/77/96/46/386779646.db2.gz WNSMWFARRHXQBC-GJMOJQLCSA-N 0 3 237.296 0.426 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)c1nncn1C)N(C)C ZINC000330539503 386780009 /nfs/dbraw/zinc/78/00/09/386780009.db2.gz GRWOFXWMDYBVAJ-IUCAKERBSA-N 0 3 239.323 0.333 20 0 BCADHN COCCNCCNC(=O)NC1CC(C)C1 ZINC000417803999 386780138 /nfs/dbraw/zinc/78/01/38/386780138.db2.gz GISABZOWEIERHH-UHFFFAOYSA-N 0 3 229.324 0.320 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2ccncc2)C1 ZINC000280135550 386782257 /nfs/dbraw/zinc/78/22/57/386782257.db2.gz CPJFFBMWEUONKI-GFCCVEGCSA-N 0 3 219.288 0.779 20 0 BCADHN CC(C)CC[C@@H](O)CN(C)[C@@H]1COC[C@H]1O ZINC000330605612 386783061 /nfs/dbraw/zinc/78/30/61/386783061.db2.gz JUKMKMYLGUHWDK-IJLUTSLNSA-N 0 3 231.336 0.475 20 0 BCADHN CN(C[C@H](O)CN1CC(C(C)(C)O)C1)C1CC1 ZINC000357451563 386784121 /nfs/dbraw/zinc/78/41/21/386784121.db2.gz JWKIMBLKZVAFJQ-LBPRGKRZSA-N 0 3 242.363 0.144 20 0 BCADHN CN(C[C@H](O)CN1CC(F)C1)C1CC1 ZINC000357450650 386784388 /nfs/dbraw/zinc/78/43/88/386784388.db2.gz IGBRXFHCWABJOQ-JTQLQIEISA-N 0 3 202.273 0.095 20 0 BCADHN CCN(CC)C(=O)CN(C)C1CCOCC1 ZINC000357456041 386785482 /nfs/dbraw/zinc/78/54/82/386785482.db2.gz KAYPKGWTBGRJDM-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CN(C)CCOCCNC(=O)Cc1ccoc1 ZINC000357453847 386785700 /nfs/dbraw/zinc/78/57/00/386785700.db2.gz FHLUFHRSFOJNBT-UHFFFAOYSA-N 0 3 240.303 0.517 20 0 BCADHN C[C@@H](O)CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000192520872 386788932 /nfs/dbraw/zinc/78/89/32/386788932.db2.gz CGOGWJGIUYIQQZ-BBBLOLIVSA-N 0 3 241.335 0.292 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccc2c(c1)ncn2C ZINC000344879072 386788893 /nfs/dbraw/zinc/78/88/93/386788893.db2.gz KBCNBIKGNMYACN-VIFPVBQESA-N 0 3 246.314 0.927 20 0 BCADHN COC[C@@H](C)N(C)C(=O)NC[C@H]1CCCN1C ZINC000339939444 386818333 /nfs/dbraw/zinc/81/83/33/386818333.db2.gz LRRSULVSHOLIPS-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H](CN1CCOCC1)N1CCOC[C@H](C)C1 ZINC000340966947 386820382 /nfs/dbraw/zinc/82/03/82/386820382.db2.gz PWEZTKRJLMXYLC-OLZOCXBDSA-N 0 3 242.363 0.675 20 0 BCADHN CC[C@]1(C)COCCN1C[C@H](O)COC ZINC000340889856 386798123 /nfs/dbraw/zinc/79/81/23/386798123.db2.gz RDKMBZARPJHKTD-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2cncs2)C1 ZINC000280264174 386798079 /nfs/dbraw/zinc/79/80/79/386798079.db2.gz MABFEADWTGGRAH-SNVBAGLBSA-N 0 3 225.317 0.840 20 0 BCADHN Cn1nccc1CNCC[C@@H](O)C(F)(F)F ZINC000336669171 386798398 /nfs/dbraw/zinc/79/83/98/386798398.db2.gz GONGXKGETCVMGS-MRVPVSSYSA-N 0 3 237.225 0.823 20 0 BCADHN CCc1ccccc1[C@H](N)CNC(=O)CN ZINC000417841849 386798552 /nfs/dbraw/zinc/79/85/52/386798552.db2.gz UIXDTHSCUOYRJX-LLVKDONJSA-N 0 3 221.304 0.324 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(C)C1CCOCC1 ZINC000344911485 386800915 /nfs/dbraw/zinc/80/09/15/386800915.db2.gz XIXYVXULSFRASE-SNVBAGLBSA-N 0 3 243.351 0.757 20 0 BCADHN CN(CCO)C[C@H](O)COCc1cccs1 ZINC000192945541 386802654 /nfs/dbraw/zinc/80/26/54/386802654.db2.gz LOCYVIWSLKYUIS-JTQLQIEISA-N 0 3 245.344 0.550 20 0 BCADHN Cc1cc(CC(=O)NCCN2CC=CCC2)n[nH]1 ZINC000280357007 386806862 /nfs/dbraw/zinc/80/68/62/386806862.db2.gz XQOVYZKPHAVQPA-UHFFFAOYSA-N 0 3 248.330 0.639 20 0 BCADHN Cc1cc(CC(=O)NCCN2CC=CCC2)[nH]n1 ZINC000280357007 386806866 /nfs/dbraw/zinc/80/68/66/386806866.db2.gz XQOVYZKPHAVQPA-UHFFFAOYSA-N 0 3 248.330 0.639 20 0 BCADHN CCOCCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000340958781 386808285 /nfs/dbraw/zinc/80/82/85/386808285.db2.gz UNRFKAXKGTZGAV-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)[nH]n1 ZINC000329846842 386809228 /nfs/dbraw/zinc/80/92/28/386809228.db2.gz QWUYJDKLXGUUMQ-PRHODGIISA-N 0 3 248.330 0.931 20 0 BCADHN CO[C@@H]1CN(CCOCCC(C)C)C[C@H]1O ZINC000395284878 386809360 /nfs/dbraw/zinc/80/93/60/386809360.db2.gz BMBADDODCQCGHS-VXGBXAGGSA-N 0 3 231.336 0.741 20 0 BCADHN C[C@H]1[C@H](NC(=O)N2CCNCC2)CCCN1C ZINC000417993820 386809912 /nfs/dbraw/zinc/80/99/12/386809912.db2.gz BAKRDTIDCZEWMW-WDEREUQCSA-N 0 3 240.351 0.084 20 0 BCADHN CC[C@H](N[C@@H]1CCc2nc(C)nn2C1)C(N)=O ZINC000330648495 386809985 /nfs/dbraw/zinc/80/99/85/386809985.db2.gz HWQPIAZLOPBGOC-BDAKNGLRSA-N 0 3 237.307 0.805 20 0 BCADHN CC[C@@H](C)NC(=O)CN(C)[C@@H](C)C(C)(C)O ZINC000395042020 386811793 /nfs/dbraw/zinc/81/17/93/386811793.db2.gz XWUYYGBTQKCRQW-ZJUUUORDSA-N 0 3 230.352 0.992 20 0 BCADHN Cc1nocc1CNC[C@@]1(O)CCO[C@H]1C ZINC000293359488 386827278 /nfs/dbraw/zinc/82/72/78/386827278.db2.gz UMKPXIXGZIGLGA-ONGXEEELSA-N 0 3 226.276 0.613 20 0 BCADHN C[C@@H]1OCC[C@H]1N(CCO)CCn1ccnc1 ZINC000330103646 386828834 /nfs/dbraw/zinc/82/88/34/386828834.db2.gz GLDVUWFRKNHXAL-NWDGAFQWSA-N 0 3 239.319 0.355 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H](C)c1cncnc1 ZINC000330692829 386833391 /nfs/dbraw/zinc/83/33/91/386833391.db2.gz ZZYWJXYXIJFMSQ-UWVGGRQHSA-N 0 3 236.319 0.646 20 0 BCADHN COC[C@@H](NCc1ccc(OC)nn1)C1CC1 ZINC000283248895 386834082 /nfs/dbraw/zinc/83/40/82/386834082.db2.gz VFFHYMJUTVKPMQ-LLVKDONJSA-N 0 3 237.303 1.000 20 0 BCADHN COC[C@H]1CCN(CC(=O)N(C)C(C)C)C1 ZINC000352879060 386834249 /nfs/dbraw/zinc/83/42/49/386834249.db2.gz FNLRMYOYGGIZLP-NSHDSACASA-N 0 3 228.336 0.822 20 0 BCADHN Cn1cccc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366557554 386837013 /nfs/dbraw/zinc/83/70/13/386837013.db2.gz SWHRCPWLLDUFPM-IUCAKERBSA-N 0 3 225.267 0.455 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N1CC(O)C1 ZINC000334781738 386836961 /nfs/dbraw/zinc/83/69/61/386836961.db2.gz SAVZCPHTHRATBQ-IUCAKERBSA-N 0 3 212.293 0.062 20 0 BCADHN C[C@H]1CCCCCN1CCNS(C)(=O)=O ZINC000334782831 386840229 /nfs/dbraw/zinc/84/02/29/386840229.db2.gz GGKDEOLCAJYOKR-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN CS[C@H]1CC[C@@H]1NCC(=O)NCC1CC1 ZINC000425339731 386841173 /nfs/dbraw/zinc/84/11/73/386841173.db2.gz CWMXCMQQRSPOIU-UWVGGRQHSA-N 0 3 228.361 0.996 20 0 BCADHN O=S1(=O)CCC(CN(CCO)C2CC2)CC1 ZINC000328679809 386841561 /nfs/dbraw/zinc/84/15/61/386841561.db2.gz UEEXAOVHXWOGEM-UHFFFAOYSA-N 0 3 247.360 0.268 20 0 BCADHN FC(F)(F)c1nnc(CNC2=[NH+]CCCN2)[n-]1 ZINC000357783768 386842022 /nfs/dbraw/zinc/84/20/22/386842022.db2.gz ZTCAUWKNFXYNCX-UHFFFAOYSA-N 0 3 248.212 0.262 20 0 BCADHN FC(F)(F)c1n[n-]c(CNC2=[NH+]CCCN2)n1 ZINC000357783768 386842026 /nfs/dbraw/zinc/84/20/26/386842026.db2.gz ZTCAUWKNFXYNCX-UHFFFAOYSA-N 0 3 248.212 0.262 20 0 BCADHN CC[C@@H](COC)N[C@H](C)C(=O)N(C)CC ZINC000188499143 386842725 /nfs/dbraw/zinc/84/27/25/386842725.db2.gz 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YQNLNWXQMCVHLT-UHFFFAOYSA-N 0 3 225.292 1.000 20 0 BCADHN COC[C@H](C)N1CCC[C@H](N2CCOCC2)C1 ZINC000648018432 386999946 /nfs/dbraw/zinc/99/99/46/386999946.db2.gz YHAXKHYPEFISCS-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN COC[C@H]1CCCN1C(=O)[C@H](N)CC(F)F ZINC000648100389 387000059 /nfs/dbraw/zinc/00/00/59/387000059.db2.gz WVODXPXJNMWHSU-HTQZYQBOSA-N 0 3 236.262 0.606 20 0 BCADHN CN(CCc1c[nH]nn1)Cc1cnccn1 ZINC000647966351 387003434 /nfs/dbraw/zinc/00/34/34/387003434.db2.gz OQDNKOLPWDVBOX-UHFFFAOYSA-N 0 3 218.264 0.269 20 0 BCADHN C[C@@H](N[C@@H](C)Cn1cncn1)c1ccnn1C ZINC000331330075 387004427 /nfs/dbraw/zinc/00/44/27/387004427.db2.gz HBTUYUCKGFLJGI-VHSXEESVSA-N 0 3 234.307 0.751 20 0 BCADHN CC(C(=O)N(C)Cc1ccc[nH]1)S(C)(=O)=O ZINC000331052886 386949039 /nfs/dbraw/zinc/94/90/39/386949039.db2.gz ZIYZKIWFWKBDPM-QMMMGPOBSA-N 0 3 244.316 0.406 20 0 BCADHN CO[C@H](C)[C@@H](C)NC(=O)NCCN(C)C1CC1 ZINC000341648607 386949200 /nfs/dbraw/zinc/94/92/00/386949200.db2.gz TUAZXMIRJITJHJ-NXEZZACHSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@H](O)CN(C[C@@H]1CC[C@H](C)O1)[C@@H](C)CO ZINC000331055957 386950417 /nfs/dbraw/zinc/95/04/17/386950417.db2.gz LAMGGHSUMNUIEI-BJDJZHNGSA-N 0 3 231.336 0.618 20 0 BCADHN CO[C@@H](C)CCN[C@H]1CCCS(=O)(=O)C1 ZINC000336763694 387031401 /nfs/dbraw/zinc/03/14/01/387031401.db2.gz PCYOBWIKUOKTKT-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000425378842 387031590 /nfs/dbraw/zinc/03/15/90/387031590.db2.gz KFIIYFQZHSKPRL-AXTSPUMRSA-N 0 3 249.401 0.903 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@@]1(C)CCOC1 ZINC000336764018 387032477 /nfs/dbraw/zinc/03/24/77/387032477.db2.gz PSYAINHFNMTFNS-VHSXEESVSA-N 0 3 235.349 0.436 20 0 BCADHN CO[C@@H](CN(CC(N)=O)CC(C)C)C1CC1 ZINC000425384058 387034027 /nfs/dbraw/zinc/03/40/27/387034027.db2.gz MHAYRYGLJSBVJY-NSHDSACASA-N 0 3 228.336 0.855 20 0 BCADHN Cc1ncc(NC(=O)[C@H](N)C2CCC2)cn1 ZINC000398992170 387034622 /nfs/dbraw/zinc/03/46/22/387034622.db2.gz LYGGOZIWYDGFHP-SNVBAGLBSA-N 0 3 220.276 0.851 20 0 BCADHN CO[C@@H](CN1CCCC[C@@H]1C(N)=O)C1CC1 ZINC000425383619 387034995 /nfs/dbraw/zinc/03/49/95/387034995.db2.gz LGUNPEXJHLDKAW-MNOVXSKESA-N 0 3 226.320 0.751 20 0 BCADHN CC(C)[C@H]1C[C@@H](NC(=O)C2(N)CC2)CCO1 ZINC000334957062 387035436 /nfs/dbraw/zinc/03/54/36/387035436.db2.gz MWERJIKJRSTERD-VHSXEESVSA-N 0 3 226.320 0.798 20 0 BCADHN N[C@H](C(=O)NCCOCC1CC1)C1CCC1 ZINC000399008209 387036467 /nfs/dbraw/zinc/03/64/67/387036467.db2.gz VOYCTBVIROSDRI-NSHDSACASA-N 0 3 226.320 0.657 20 0 BCADHN CCOCC[C@@H](O)CN1CCOC[C@@H](C)C1 ZINC000369319219 387038140 /nfs/dbraw/zinc/03/81/40/387038140.db2.gz LLOAGOQHGWWPLC-NWDGAFQWSA-N 0 3 231.336 0.742 20 0 BCADHN CC(C)N(C(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000333478672 387038721 /nfs/dbraw/zinc/03/87/21/387038721.db2.gz FIBJZHWLBYKPOX-NSHDSACASA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H]1CN(C(=O)N[C@@H]2CCCOC2)[C@@H](C)CN1 ZINC000333519825 387040826 /nfs/dbraw/zinc/04/08/26/387040826.db2.gz GMAWPTCNRFNSEO-OUAUKWLOSA-N 0 3 241.335 0.557 20 0 BCADHN CCN(CC1CC1)C(=O)NC[C@H]1CNCCO1 ZINC000333574766 387044215 /nfs/dbraw/zinc/04/42/15/387044215.db2.gz SNTVOYKMERLPRC-LLVKDONJSA-N 0 3 241.335 0.416 20 0 BCADHN CC[C@](C)(NCCO[C@H]1CCCCO1)C(N)=O ZINC000193073689 387045286 /nfs/dbraw/zinc/04/52/86/387045286.db2.gz MZMRIFRWPLFIKA-JQWIXIFHSA-N 0 3 244.335 0.773 20 0 BCADHN CC(C)[C@@H]1CCN1C(=O)NC[C@@H]1CNCCO1 ZINC000333607866 387046413 /nfs/dbraw/zinc/04/64/13/387046413.db2.gz XPFFGMKYSAJQDW-QWRGUYRKSA-N 0 3 241.335 0.415 20 0 BCADHN CC[C@@H](C(=O)NCC1(O)CCCC1)N(C)C ZINC000305162290 387048969 /nfs/dbraw/zinc/04/89/69/387048969.db2.gz XKLZZKQRYAUOJI-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN O=C1OC[C@@H]2CN(C[C@@H]3CCSC3)CCN12 ZINC000369486271 387050156 /nfs/dbraw/zinc/05/01/56/387050156.db2.gz VAKRGGIETVKWFW-UWVGGRQHSA-N 0 3 242.344 0.876 20 0 BCADHN COC[C@@H](O)CN1CCC[C@H]2OCC[C@H]21 ZINC000369557768 387050242 /nfs/dbraw/zinc/05/02/42/387050242.db2.gz WSTXBHCJPFQPFK-HBNTYKKESA-N 0 3 215.293 0.247 20 0 BCADHN O=C1OC[C@H]2CN(C[C@@H]3CCSC3)CCN12 ZINC000369486272 387051162 /nfs/dbraw/zinc/05/11/62/387051162.db2.gz VAKRGGIETVKWFW-VHSXEESVSA-N 0 3 242.344 0.876 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000333722079 387052321 /nfs/dbraw/zinc/05/23/21/387052321.db2.gz JWIJJFRJMJLHOF-BDAKNGLRSA-N 0 3 249.318 0.261 20 0 BCADHN COC[C@@H](C)N1CCNC[C@@](C)(F)C1 ZINC000334969264 387052824 /nfs/dbraw/zinc/05/28/24/387052824.db2.gz BLGALAKQSLDRTL-NXEZZACHSA-N 0 3 204.289 0.655 20 0 BCADHN COC[C@H](C)N1CCNC[C@](C)(F)C1 ZINC000334969266 387052900 /nfs/dbraw/zinc/05/29/00/387052900.db2.gz BLGALAKQSLDRTL-UWVGGRQHSA-N 0 3 204.289 0.655 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000305231163 387053094 /nfs/dbraw/zinc/05/30/94/387053094.db2.gz YFXFHFVJXBDWDC-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN COC(=O)[C@H](C)N1CCNC[C@@](C)(F)C1 ZINC000334969286 387053125 /nfs/dbraw/zinc/05/31/25/387053125.db2.gz BZSGLHWZIVIGPJ-WCBMZHEXSA-N 0 3 218.272 0.181 20 0 BCADHN CC[C@@H]1CCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000334970201 387054608 /nfs/dbraw/zinc/05/46/08/387054608.db2.gz SSYPIXDPJQPFIF-MNOVXSKESA-N 0 3 241.335 0.416 20 0 BCADHN Cc1csc(S(=O)(=O)NC2CNC2)c1 ZINC000334970204 387054876 /nfs/dbraw/zinc/05/48/76/387054876.db2.gz RLABIOMNXOTICP-UHFFFAOYSA-N 0 3 232.330 0.307 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)C[C@@H]1CCCO1 ZINC000157216956 387054987 /nfs/dbraw/zinc/05/49/87/387054987.db2.gz QKFYMQPWPWPHCG-CIUDSAMLSA-N 0 3 200.282 0.407 20 0 BCADHN CCOC(=O)CCNC(=O)[C@@H](N)C1CCC1 ZINC000399079652 387054995 /nfs/dbraw/zinc/05/49/95/387054995.db2.gz PFQSNCAPXSXDER-JTQLQIEISA-N 0 3 228.292 0.183 20 0 BCADHN C[C@@H](C[C@@H]1CCCO1)NC(=O)C(C)(C)N ZINC000157217553 387059396 /nfs/dbraw/zinc/05/93/96/387059396.db2.gz CANUPAAFXLMNPO-IUCAKERBSA-N 0 3 214.309 0.798 20 0 BCADHN Cc1c[nH]cc(C(=O)NC[C@H](C)N(C)C)c1=O ZINC000334033358 387060887 /nfs/dbraw/zinc/06/08/87/387060887.db2.gz XEHAOKGKAPXZGX-VIFPVBQESA-N 0 3 237.303 0.363 20 0 BCADHN C[C@@H](O)CCNC(=O)NC[C@@H]1CCCN1C ZINC000334037359 387062162 /nfs/dbraw/zinc/06/21/62/387062162.db2.gz ZERXVRIFEMCYQA-ZJUUUORDSA-N 0 3 229.324 0.151 20 0 BCADHN C[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1ccnn1C ZINC000228050778 387063943 /nfs/dbraw/zinc/06/39/43/387063943.db2.gz DTQOMFZUYXVIKI-UMNHJUIQSA-N 0 3 239.319 0.611 20 0 BCADHN CO[C@]1(C)CCCN([C@H](C)C(=O)N(C)C)C1 ZINC000336225150 387064989 /nfs/dbraw/zinc/06/49/89/387064989.db2.gz RPIXNHXOHSKKQC-ZYHUDNBSSA-N 0 3 228.336 0.964 20 0 BCADHN O=C1CCCN1CCN1CCC[C@]12CCOC2 ZINC000341971079 387011297 /nfs/dbraw/zinc/01/12/97/387011297.db2.gz ONYQGJXOXLEVAX-CYBMUJFWSA-N 0 3 238.331 0.864 20 0 BCADHN COC(=O)C1(C)CN(CC[C@@H]2CCOC2)C1 ZINC000425372523 387014379 /nfs/dbraw/zinc/01/43/79/387014379.db2.gz KCQITRJFXLXVIP-SNVBAGLBSA-N 0 3 227.304 0.908 20 0 BCADHN CC(C)(O)CCN1CCN2CCOC[C@H]2C1 ZINC000368821360 387015265 /nfs/dbraw/zinc/01/52/65/387015265.db2.gz BRLAOZHOPTXZCP-LLVKDONJSA-N 0 3 228.336 0.164 20 0 BCADHN CC(C)(O)CN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000369723775 387065776 /nfs/dbraw/zinc/06/57/76/387065776.db2.gz XWYDWHCHJZFHHE-BDAKNGLRSA-N 0 3 228.292 0.188 20 0 BCADHN O=C([C@@H]1CCCCN1CCCO)N1CCCC1 ZINC000368821106 387015485 /nfs/dbraw/zinc/01/54/85/387015485.db2.gz FSRRRSXGYJFSHT-LBPRGKRZSA-N 0 3 240.347 0.846 20 0 BCADHN Cc1cc(C)n(CC(=O)NCCN(C)C)n1 ZINC000053366199 387016332 /nfs/dbraw/zinc/01/63/32/387016332.db2.gz GYLOJJCIXMIZIR-UHFFFAOYSA-N 0 3 224.308 0.178 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCN(C)C1)c1ccnn1C ZINC000331349969 387019010 /nfs/dbraw/zinc/01/90/10/387019010.db2.gz VFDRRUIYSRCXSC-PWSUYJOCSA-N 0 3 238.335 0.137 20 0 BCADHN C[C@H](NC[C@@]1(O)CCN(C)C1)c1ccnn1C ZINC000331349968 387019389 /nfs/dbraw/zinc/01/93/89/387019389.db2.gz VFDRRUIYSRCXSC-JQWIXIFHSA-N 0 3 238.335 0.137 20 0 BCADHN Cc1nnccc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000333159840 387019577 /nfs/dbraw/zinc/01/95/77/387019577.db2.gz NSHJSTXNMGHGIS-BDAKNGLRSA-N 0 3 249.318 0.999 20 0 BCADHN CN(CC1CCOCC1)[C@H]1CCCNC1=O ZINC000334943286 387019643 /nfs/dbraw/zinc/01/96/43/387019643.db2.gz ILCLIINXUPGGMA-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN Cc1nnccc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000333159843 387019710 /nfs/dbraw/zinc/01/97/10/387019710.db2.gz NSHJSTXNMGHGIS-RKDXNWHRSA-N 0 3 249.318 0.999 20 0 BCADHN CC(=O)CCN1CCCN([C@@H](C)CO)CC1 ZINC000368966116 387021264 /nfs/dbraw/zinc/02/12/64/387021264.db2.gz XLQFSDCTEIQBOE-NSHDSACASA-N 0 3 228.336 0.354 20 0 BCADHN C[C@H](CO)N1CCCN(Cc2c[nH]cn2)CC1 ZINC000368966022 387022907 /nfs/dbraw/zinc/02/29/07/387022907.db2.gz MYVYDJYKAKQGPK-LLVKDONJSA-N 0 3 238.335 0.298 20 0 BCADHN COC(=O)CCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368976573 387023106 /nfs/dbraw/zinc/02/31/06/387023106.db2.gz XKDBRJZJHHQVKA-ATZCPNFKSA-N 0 3 240.303 0.135 20 0 BCADHN Cc1n[nH]c(C)c1CN1CC[C@]2(CNC(=O)C2)C1 ZINC000333279460 387024832 /nfs/dbraw/zinc/02/48/32/387024832.db2.gz PDWWSLFPFCUXSW-ZDUSSCGKSA-N 0 3 248.330 0.739 20 0 BCADHN CC(C)N(CC(=O)NC1CC1)C[C@@H](C)O ZINC000303988458 387025520 /nfs/dbraw/zinc/02/55/20/387025520.db2.gz KAOVRPZDHBEAFY-SECBINFHSA-N 0 3 214.309 0.356 20 0 BCADHN CCN(CC)CC(=O)N(CC)[C@H](C)CO ZINC000358862637 387025817 /nfs/dbraw/zinc/02/58/17/387025817.db2.gz ZRWZQRMJAVHBEK-SNVBAGLBSA-N 0 3 216.325 0.558 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1CC[C@@H]1SC ZINC000425369808 387025932 /nfs/dbraw/zinc/02/59/32/387025932.db2.gz MQYKGAIJUMWNHC-RGOKHQFPSA-N 0 3 217.334 0.884 20 0 BCADHN CC(C)OCCNC(=O)[C@@H](N)C1CCC1 ZINC000398944290 387026521 /nfs/dbraw/zinc/02/65/21/387026521.db2.gz ABPBULBGWVIDPD-JTQLQIEISA-N 0 3 214.309 0.655 20 0 BCADHN O=C1NC[C@@]2(CCCN(C[C@@H]3CCCO3)C2)O1 ZINC000369030936 387026959 /nfs/dbraw/zinc/02/69/59/387026959.db2.gz NJPHOZXPPQLBFA-CMPLNLGQSA-N 0 3 240.303 0.740 20 0 BCADHN CC[C@H](N[C@H]1CC[C@@H]1SC)C(=O)NC ZINC000425370306 387027952 /nfs/dbraw/zinc/02/79/52/387027952.db2.gz NUNYAGPCZHTFCY-CIUDSAMLSA-N 0 3 216.350 0.995 20 0 BCADHN COC(=O)c1ncn(C[C@@H](C)N(C)C)n1 ZINC000358887119 387029045 /nfs/dbraw/zinc/02/90/45/387029045.db2.gz ZVYCLJDQWZGEOP-SSDOTTSWSA-N 0 3 212.253 0.015 20 0 BCADHN Cc1cc(CNCC2(N(C)C)CC2)nn1C ZINC000418120319 387071583 /nfs/dbraw/zinc/07/15/83/387071583.db2.gz ZTSGPHIFTITQJT-UHFFFAOYSA-N 0 3 222.336 0.912 20 0 BCADHN CCn1nncc1CN[C@H](CO)CC1CCC1 ZINC000418039077 387071726 /nfs/dbraw/zinc/07/17/26/387071726.db2.gz ZMMLEMGRDMZVFU-NSHDSACASA-N 0 3 238.335 0.939 20 0 BCADHN CS[C@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC000336237014 387072623 /nfs/dbraw/zinc/07/26/23/387072623.db2.gz DXAZMKMDACIXKX-DTWKUNHWSA-N 0 3 214.334 0.654 20 0 BCADHN CC[C@@H](C(=O)N(CCOC)CCOC)N(C)C ZINC000359255936 387075184 /nfs/dbraw/zinc/07/51/84/387075184.db2.gz ZPYKUQVJBTTWHZ-NSHDSACASA-N 0 3 246.351 0.448 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)[C@H]2CCCOCC2)C1 ZINC000334990245 387079510 /nfs/dbraw/zinc/07/95/10/387079510.db2.gz GBKPRMUWPKCZIX-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1[C@@H](C)C1(F)F ZINC000359292268 387080379 /nfs/dbraw/zinc/08/03/79/387080379.db2.gz FPSOWZWCKHOVLR-SFYZADRCSA-N 0 3 220.263 0.956 20 0 BCADHN CN(C)CCNC(=O)c1cc2c(cn1)OCCC2 ZINC000369986743 387081305 /nfs/dbraw/zinc/08/13/05/387081305.db2.gz RRDGYCOWEJRIIO-UHFFFAOYSA-N 0 3 249.314 0.698 20 0 BCADHN O=C(NCCc1cscn1)[C@H]1C[C@H](F)CN1 ZINC000188708727 387082233 /nfs/dbraw/zinc/08/22/33/387082233.db2.gz SQYZDAPFAQRWAK-IONNQARKSA-N 0 3 243.307 0.502 20 0 BCADHN C[C@@H]1[C@@H](C(=O)N(C)CCN(C)C)C1(F)F ZINC000359329790 387084922 /nfs/dbraw/zinc/08/49/22/387084922.db2.gz LGXOKSLRDDYKLV-SFYZADRCSA-N 0 3 220.263 0.908 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H]1C[C@@]12CCOC2 ZINC000359332146 387085624 /nfs/dbraw/zinc/08/56/24/387085624.db2.gz ODYKDFFXGTWKFM-ZYHUDNBSSA-N 0 3 226.320 0.433 20 0 BCADHN CN(C[C@@H]1CCCO1)[C@@]1(CO)CCOC1 ZINC000359594881 387130935 /nfs/dbraw/zinc/13/09/35/387130935.db2.gz FEEJCLZMZZIXRN-WDEREUQCSA-N 0 3 215.293 0.249 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](CO)CC1CCC1 ZINC000359336786 387087341 /nfs/dbraw/zinc/08/73/41/387087341.db2.gz GCYBTVGQXBEISQ-LBPRGKRZSA-N 0 3 242.363 0.994 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC000066898555 387091255 /nfs/dbraw/zinc/09/12/55/387091255.db2.gz DFSQGZPKDLRTOE-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN O=C(NC1CCN(C2CC2)CC1)[C@@H]1CCOC1 ZINC000066898881 387092066 /nfs/dbraw/zinc/09/20/66/387092066.db2.gz UGFYJRPFRVSVJY-SNVBAGLBSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)N1CCOC2(CNC2)C1 ZINC000333936456 387092603 /nfs/dbraw/zinc/09/26/03/387092603.db2.gz KLKQFJVGFJZEGS-ZJUUUORDSA-N 0 3 239.319 0.026 20 0 BCADHN CCCC[C@@H](N)C(=O)NCc1noc(C)n1 ZINC000228450600 387093959 /nfs/dbraw/zinc/09/39/59/387093959.db2.gz SNJBGQPXZFKZOZ-MRVPVSSYSA-N 0 3 226.280 0.512 20 0 BCADHN CC[C@H](N)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000370180398 387094922 /nfs/dbraw/zinc/09/49/22/387094922.db2.gz CFSURQJVQQUEOZ-NWDGAFQWSA-N 0 3 248.330 0.292 20 0 BCADHN CC[C@H](O)CN1CC[C@H](NC(=O)C2CCC2)C1 ZINC000370250558 387099229 /nfs/dbraw/zinc/09/92/29/387099229.db2.gz HWORIIRYXYQGNP-RYUDHWBXSA-N 0 3 240.347 0.748 20 0 BCADHN CO[C@@H](C)C(=O)N(C)CCN(C)C1CC1 ZINC000186744056 387131458 /nfs/dbraw/zinc/13/14/58/387131458.db2.gz PLRCGWWWXHYPDD-VIFPVBQESA-N 0 3 214.309 0.574 20 0 BCADHN CCN(C)C(=O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000359452968 387103544 /nfs/dbraw/zinc/10/35/44/387103544.db2.gz CKGFPVIUSMTKQM-LLVKDONJSA-N 0 3 243.351 0.167 20 0 BCADHN CO[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000458768010 387104741 /nfs/dbraw/zinc/10/47/41/387104741.db2.gz VHNHVMTYKMNVGL-HBNTYKKESA-N 0 3 243.351 0.803 20 0 BCADHN CC(C)(C)OC(=O)CCN1C[C@@H](O)C[C@H]1CO ZINC000186513552 387106460 /nfs/dbraw/zinc/10/64/60/387106460.db2.gz MUUPGHBSABKHRG-UWVGGRQHSA-N 0 3 245.319 0.146 20 0 BCADHN CCCN(C)CCNS(=O)(=O)CC ZINC000068816351 387107118 /nfs/dbraw/zinc/10/71/18/387107118.db2.gz CCPATRQSTDRWFJ-UHFFFAOYSA-N 0 3 208.327 0.268 20 0 BCADHN CCCN1CCN(C(=O)[C@H](C)N)C(C)(C)C1=O ZINC000335011062 387107063 /nfs/dbraw/zinc/10/70/63/387107063.db2.gz GDRIOBCLPUZNQZ-VIFPVBQESA-N 0 3 241.335 0.193 20 0 BCADHN CN1CCN(C)[C@H](CNCc2ccncc2)C1 ZINC000068802891 387107672 /nfs/dbraw/zinc/10/76/72/387107672.db2.gz NBRIZCJVDWSMLK-CYBMUJFWSA-N 0 3 234.347 0.417 20 0 BCADHN Cn1nccc1CN[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000370284262 387107970 /nfs/dbraw/zinc/10/79/70/387107970.db2.gz AWDAVAVVZKFBSS-AAEUAGOBSA-N 0 3 248.330 0.567 20 0 BCADHN CCN(C(=O)C(C)S(C)(=O)=O)C(C)C ZINC000112796909 387108900 /nfs/dbraw/zinc/10/89/00/387108900.db2.gz PZRGOTGSVKWUJM-MRVPVSSYSA-N 0 3 221.322 0.676 20 0 BCADHN COC[C@@H](O)CN1CCN(C2CCCC2)CC1 ZINC000069054018 387112126 /nfs/dbraw/zinc/11/21/26/387112126.db2.gz QMTFEFRLBYFFTA-ZDUSSCGKSA-N 0 3 242.363 0.554 20 0 BCADHN COC[C@@H](O)CN[C@@H](CO)c1cccc(F)c1 ZINC000359521561 387115218 /nfs/dbraw/zinc/11/52/18/387115218.db2.gz NROZZVSLILPDHG-RYUDHWBXSA-N 0 3 243.278 0.456 20 0 BCADHN CNC(=O)CN1CCc2ccccc2[C@H]1CN ZINC000069311412 387115337 /nfs/dbraw/zinc/11/53/37/387115337.db2.gz ZYYPWRCXVDXMIZ-GFCCVEGCSA-N 0 3 233.315 0.291 20 0 BCADHN CC(C)(C)[C@H]1CCN(C(=O)C2(N)CC2)C[C@H]1O ZINC000335025160 387116437 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216.325 0.868 20 0 BCADHN CCC[C@H](N)C(=O)NCc1ccc(C(N)=O)o1 ZINC000353178790 387151039 /nfs/dbraw/zinc/15/10/39/387151039.db2.gz BNHZSTVLZXRTDV-QMMMGPOBSA-N 0 3 239.275 0.122 20 0 BCADHN CCCNC(=O)C[C@@H](C(N)=O)N(CC)CCC ZINC000186876799 387151646 /nfs/dbraw/zinc/15/16/46/387151646.db2.gz QKVRYOZRDCBXOC-JTQLQIEISA-N 0 3 243.351 0.489 20 0 BCADHN CCS(=O)(=O)C(C)C(=O)NC[C@@H]1CCCO1 ZINC000359711096 387152178 /nfs/dbraw/zinc/15/21/78/387152178.db2.gz FKBXIAJABMSFFD-BDAKNGLRSA-N 0 3 249.332 0.105 20 0 BCADHN CCS(=O)(=O)C(C)C(=O)NC[C@H]1CCCO1 ZINC000359711100 387152632 /nfs/dbraw/zinc/15/26/32/387152632.db2.gz FKBXIAJABMSFFD-DTWKUNHWSA-N 0 3 249.332 0.105 20 0 BCADHN CCS(=O)(=O)C(C)C(=O)NC[C@@H]1CCCO1 ZINC000359711104 387152835 /nfs/dbraw/zinc/15/28/35/387152835.db2.gz FKBXIAJABMSFFD-IUCAKERBSA-N 0 3 249.332 0.105 20 0 BCADHN NC(C(=O)NC[C@@H]1CCCOC1)C(F)(F)F ZINC000353192371 387153454 /nfs/dbraw/zinc/15/34/54/387153454.db2.gz YFJOGNOJOWXHES-NKWVEPMBSA-N 0 3 240.225 0.419 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000250243168 387154584 /nfs/dbraw/zinc/15/45/84/387154584.db2.gz MYKPOFHKNQWAPD-WOPDTQHZSA-N 0 3 239.363 0.809 20 0 BCADHN CN1CCC(C(=O)NCC(F)F)CC1 ZINC000336327714 387154681 /nfs/dbraw/zinc/15/46/81/387154681.db2.gz DOIVMTQTUGCVIK-UHFFFAOYSA-N 0 3 206.236 0.710 20 0 BCADHN CC(C)(C)OCCN1CC[C@H](CO)[C@@H](O)C1 ZINC000571738395 387160026 /nfs/dbraw/zinc/16/00/26/387160026.db2.gz IEBBTVRZFHIFHH-MNOVXSKESA-N 0 3 231.336 0.477 20 0 BCADHN COCC[C@@H](C)NC(=O)C[C@@H]1CSCCN1 ZINC000085614733 387161336 /nfs/dbraw/zinc/16/13/36/387161336.db2.gz MQMCMBUEJAVPOR-NXEZZACHSA-N 0 3 246.376 0.623 20 0 BCADHN Cn1cc(NC(=O)C[C@H]2CSCCN2)cn1 ZINC000085613183 387162374 /nfs/dbraw/zinc/16/23/74/387162374.db2.gz RELXERHWIIQDAU-QMMMGPOBSA-N 0 3 240.332 0.454 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)C[C@H]1CNCCO1 ZINC000085619150 387162934 /nfs/dbraw/zinc/16/29/34/387162934.db2.gz KZKNXWADKKUAOY-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H](C)CN(C)C(=O)C[C@@H]1CNCCO1 ZINC000085619146 387163002 /nfs/dbraw/zinc/16/30/02/387163002.db2.gz KZKNXWADKKUAOY-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN Cn1nccc1NC(=O)C[C@@H]1CSCCN1 ZINC000085613989 387163200 /nfs/dbraw/zinc/16/32/00/387163200.db2.gz FNDTWDFCUVQORG-MRVPVSSYSA-N 0 3 240.332 0.454 20 0 BCADHN CC(C)[C@H](O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000353238114 387163547 /nfs/dbraw/zinc/16/35/47/387163547.db2.gz XBYYDQZBWUFGMT-SRVKXCTJSA-N 0 3 242.363 0.802 20 0 BCADHN CCCCN(C)C(=O)C[C@@H]1CNCCO1 ZINC000085618883 387164302 /nfs/dbraw/zinc/16/43/02/387164302.db2.gz DWYOLHHWCMWPJW-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN COCc1noc([C@H]2CN(C)C[C@@H]2C)n1 ZINC000359921727 387193212 /nfs/dbraw/zinc/19/32/12/387193212.db2.gz DLUDGBXCRATFOW-YUMQZZPRSA-N 0 3 211.265 0.881 20 0 BCADHN COC(=O)CCCC(=O)NC[C@@H](C)N(C)C ZINC000359795800 387164944 /nfs/dbraw/zinc/16/49/44/387164944.db2.gz MZKFMHIMYWWAJB-SECBINFHSA-N 0 3 230.308 0.396 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1O)N(C)C ZINC000187150269 387170179 /nfs/dbraw/zinc/17/01/79/387170179.db2.gz GIASQOLHRJJWSR-OUAUKWLOSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NCC(F)(F)CN ZINC000423329418 387172023 /nfs/dbraw/zinc/17/20/23/387172023.db2.gz BCQNVWLGXVSHRZ-WPRPVWTQSA-N 0 3 233.306 0.653 20 0 BCADHN COCC[C@](C)(O)CNCc1cnc(C)n1C ZINC000571821099 387177231 /nfs/dbraw/zinc/17/72/31/387177231.db2.gz JUJOEEISTLWZSD-LBPRGKRZSA-N 0 3 241.335 0.606 20 0 BCADHN CO[C@@H]1CCC[C@@H]1CNC(=O)[C@H](N)C(C)C ZINC000353317846 387178190 /nfs/dbraw/zinc/17/81/90/387178190.db2.gz XHDXXXCZCFVWQE-GMTAPVOTSA-N 0 3 228.336 0.901 20 0 BCADHN Cc1nnc(NCCOCCN(C)C)nc1C ZINC000229564707 387179825 /nfs/dbraw/zinc/17/98/25/387179825.db2.gz ACSGDXBKAMYHEK-UHFFFAOYSA-N 0 3 239.323 0.479 20 0 BCADHN N[C@@H](C(=O)Nc1nnc2ccccn21)C1CCC1 ZINC000423336257 387182655 /nfs/dbraw/zinc/18/26/55/387182655.db2.gz UJOCJXURIRJXFB-SNVBAGLBSA-N 0 3 245.286 0.795 20 0 BCADHN Cc1cnn([C@H]2CCN([C@H]3COC[C@H]3O)C2)c1 ZINC000571850337 387183851 /nfs/dbraw/zinc/18/38/51/387183851.db2.gz GFRAMOQZCUJHAC-SDDRHHMPSA-N 0 3 237.303 0.198 20 0 BCADHN CCC[C@@]1(CO)CCN(CC(=O)N(C)CC)C1 ZINC000367361895 387184223 /nfs/dbraw/zinc/18/42/23/387184223.db2.gz SUGMHVPLIDSMMT-CYBMUJFWSA-N 0 3 242.363 0.949 20 0 BCADHN CCC1(C)CCN(C(=O)C(=O)NCCN)CC1 ZINC000062952143 387186068 /nfs/dbraw/zinc/18/60/68/387186068.db2.gz UIHHCKJEUGMJIH-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCC(F)(F)CN ZINC000423338717 387187395 /nfs/dbraw/zinc/18/73/95/387187395.db2.gz ILEPLAWHHBSIFI-SFYZADRCSA-N 0 3 207.268 0.120 20 0 BCADHN C[C@H](NC(=O)C1(N)CCCC1)c1cn[nH]c1 ZINC000229707634 387194072 /nfs/dbraw/zinc/19/40/72/387194072.db2.gz CJUVBMOHLVEDSB-QMMMGPOBSA-N 0 3 222.292 0.858 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1CCCOC1 ZINC000359596649 387132726 /nfs/dbraw/zinc/13/27/26/387132726.db2.gz SLMUKANRPCFHRT-SNVBAGLBSA-N 0 3 214.309 0.433 20 0 BCADHN CN(CCOCCO)CCN(C)C1CC1 ZINC000186757012 387132753 /nfs/dbraw/zinc/13/27/53/387132753.db2.gz 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YKDKEYGVCSGMCI-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@@H](O)CNCc1cccc(C(N)=O)c1 ZINC000229962986 387208041 /nfs/dbraw/zinc/20/80/41/387208041.db2.gz INCFZZGHQGQFOH-LLVKDONJSA-N 0 3 222.288 0.646 20 0 BCADHN CC(C)(C)CN1CCCN(S(N)(=O)=O)CC1 ZINC000371420897 387210340 /nfs/dbraw/zinc/21/03/40/387210340.db2.gz IIWFOWNXPVINKA-UHFFFAOYSA-N 0 3 249.380 0.244 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000161425614 387210447 /nfs/dbraw/zinc/21/04/47/387210447.db2.gz BUSVLYBFLGFURS-NSHDSACASA-N 0 3 232.324 0.824 20 0 BCADHN CCC1(CO)CCN(C[C@@](C)(O)C(C)=O)CC1 ZINC000330835483 387211424 /nfs/dbraw/zinc/21/14/24/387211424.db2.gz HZSXBTKBFXKJTB-GFCCVEGCSA-N 0 3 243.347 0.811 20 0 BCADHN C[C@H](NC[C@@]1(O)CCO[C@H]1C)c1ccnn1C ZINC000300423490 387211891 /nfs/dbraw/zinc/21/18/91/387211891.db2.gz DTQOMFZUYXVIKI-NHCYSSNCSA-N 0 3 239.319 0.611 20 0 BCADHN CN(CCC(=O)N1CCCCC1)C1CC(O)C1 ZINC000353480542 387213022 /nfs/dbraw/zinc/21/30/22/387213022.db2.gz IPOJSUNSQFQKJK-UHFFFAOYSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H]1CN(CCc2cccnc2)CCN1CCO ZINC000187668454 387213228 /nfs/dbraw/zinc/21/32/28/387213228.db2.gz IOZZKYPCBMWEOO-ZDUSSCGKSA-N 0 3 249.358 0.623 20 0 BCADHN CC[C@H]1C[C@H](C)CN1C(=O)C(=O)N(C)CCN ZINC000423361055 387213919 /nfs/dbraw/zinc/21/39/19/387213919.db2.gz WTCRVJOHSGFHAX-UWVGGRQHSA-N 0 3 241.335 0.051 20 0 BCADHN COC(=O)[C@H](C)CC(=O)NC[C@H](C)N(C)C ZINC000353492548 387216107 /nfs/dbraw/zinc/21/61/07/387216107.db2.gz LYLAZEQWXRJNJG-BDAKNGLRSA-N 0 3 230.308 0.252 20 0 BCADHN CCc1nc(CN2CCN(C)C[C@@H]2CC)n[nH]1 ZINC000571995398 387217445 /nfs/dbraw/zinc/21/74/45/387217445.db2.gz KSYITEYTGRNPBT-JTQLQIEISA-N 0 3 237.351 0.893 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CCc2nc(C)ncc2C1 ZINC000571998510 387217802 /nfs/dbraw/zinc/21/78/02/387217802.db2.gz LLANBWLTVUJPTI-GHMZBOCLSA-N 0 3 248.330 0.496 20 0 BCADHN C[C@H](NC[C@@H](CO)C1CC1)c1ccc(=O)[nH]n1 ZINC000353511278 387219062 /nfs/dbraw/zinc/21/90/62/387219062.db2.gz OLKOWPCOOQLBTN-WPRPVWTQSA-N 0 3 237.303 0.851 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418210674 387221415 /nfs/dbraw/zinc/22/14/15/387221415.db2.gz SSAYOTJFDODDCP-DCAQKATOSA-N 0 3 242.367 0.328 20 0 BCADHN CCN(C)C(=O)CCN1CCOCC2(CC2)C1 ZINC000360086989 387223720 /nfs/dbraw/zinc/22/37/20/387223720.db2.gz FWMYDQRBJLQCFN-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@](C)(O)COC ZINC000572066286 387227564 /nfs/dbraw/zinc/22/75/64/387227564.db2.gz ZAWKUTZGSOHZML-GFCCVEGCSA-N 0 3 246.351 0.184 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@@H](N)CC(C)C)n1 ZINC000353561461 387230582 /nfs/dbraw/zinc/23/05/82/387230582.db2.gz KIMIWHLONPYVDF-APPZFPTMSA-N 0 3 240.307 0.929 20 0 BCADHN CCC[C@](C)(N)C(=O)NC[C@@H](O)[C@H]1CCOC1 ZINC000353663782 387253412 /nfs/dbraw/zinc/25/34/12/387253412.db2.gz NEKKNUDLJCFLMP-UMNHJUIQSA-N 0 3 244.335 0.018 20 0 BCADHN C[C@H](Cc1cnn(C)c1)NCc1cncn1C ZINC000353576751 387233822 /nfs/dbraw/zinc/23/38/22/387233822.db2.gz OPNRUIUYYKWLAC-SNVBAGLBSA-N 0 3 233.319 0.874 20 0 BCADHN C[C@H]1C[C@H](NC(=O)CCOC2CNC2)CCO1 ZINC000572112412 387236406 /nfs/dbraw/zinc/23/64/06/387236406.db2.gz IFBPRNJKVUDSJO-VHSXEESVSA-N 0 3 242.319 0.049 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@]1(C)C[C@@H]1F ZINC000424663500 387241864 /nfs/dbraw/zinc/24/18/64/387241864.db2.gz ZXRLNWNUGAEFMR-WCABBAIRSA-N 0 3 214.284 0.945 20 0 BCADHN COCCCN(C)CCNC(=O)[C@@]1(C)C[C@@H]1F ZINC000424677835 387245075 /nfs/dbraw/zinc/24/50/75/387245075.db2.gz ARQYQOPMXQPMIZ-JQWIXIFHSA-N 0 3 246.326 0.819 20 0 BCADHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1cn[nH]c1 ZINC000285165909 387245533 /nfs/dbraw/zinc/24/55/33/387245533.db2.gz MTCDSBQRCXYMLT-QXFUBDJGSA-N 0 3 222.292 0.727 20 0 BCADHN COC(=O)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC000120442856 387246821 /nfs/dbraw/zinc/24/68/21/387246821.db2.gz VCIMASNAMQSASO-SNVBAGLBSA-N 0 3 230.308 0.252 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000353644491 387247605 /nfs/dbraw/zinc/24/76/05/387247605.db2.gz QAJQYUGALGAFIU-UWVGGRQHSA-N 0 3 241.335 0.239 20 0 BCADHN CCOC[C@H](O)CN1CCCO[C@@H](CC)C1 ZINC000300947735 387251219 /nfs/dbraw/zinc/25/12/19/387251219.db2.gz TUTGJIANMZTZCE-NEPJUHHUSA-N 0 3 231.336 0.885 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CCCCN1)c1cn[nH]c1 ZINC000229700531 387195277 /nfs/dbraw/zinc/19/52/77/387195277.db2.gz YWQJAJPIMINDBB-WPRPVWTQSA-N 0 3 222.292 0.729 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)N1CCN(C)C[C@H]1CN ZINC000571896987 387196074 /nfs/dbraw/zinc/19/60/74/387196074.db2.gz ATPCDKVIVYZDRI-GMTAPVOTSA-N 0 3 240.351 0.069 20 0 BCADHN COCCNCCNC(=O)N[C@@H]1CC[C@H]1C ZINC000418185340 387196715 /nfs/dbraw/zinc/19/67/15/387196715.db2.gz OTMUFXAQWZOJRT-NXEZZACHSA-N 0 3 229.324 0.320 20 0 BCADHN CCN1C[C@@H](C)[C@H](NCC(F)(F)CN)C1 ZINC000423347352 387197449 /nfs/dbraw/zinc/19/74/49/387197449.db2.gz QFIBEFHFYGRGMI-RKDXNWHRSA-N 0 3 221.295 0.510 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCCC[C@@H]1O)N(C)C ZINC000187408796 387198167 /nfs/dbraw/zinc/19/81/67/387198167.db2.gz GIASQOLHRJJWSR-AXFHLTTASA-N 0 3 228.336 0.746 20 0 BCADHN Cc1cnn(C)c1CN[C@H]1C[C@@H](O)C1(C)C ZINC000286079504 387310722 /nfs/dbraw/zinc/31/07/22/387310722.db2.gz SGSHFBZEYAOIIN-WDEREUQCSA-N 0 3 223.320 0.978 20 0 BCADHN Cc1ncc(CN[C@H]2C[C@@H](O)C2(C)C)n1C ZINC000514677942 387314124 /nfs/dbraw/zinc/31/41/24/387314124.db2.gz LWFIWEYXVMCDDJ-WDEREUQCSA-N 0 3 223.320 0.978 20 0 BCADHN C[C@H]1CN(C(=O)[C@H]2C[C@H](F)CN2)C[C@H](C)O1 ZINC000188188528 387256928 /nfs/dbraw/zinc/25/69/28/387256928.db2.gz IITVDVCMMQCKHO-AATLWQCWSA-N 0 3 230.283 0.322 20 0 BCADHN Cc1nn(C)cc1CNC[C@H]1CC[C@H](CO)O1 ZINC000353703082 387261009 /nfs/dbraw/zinc/26/10/09/387261009.db2.gz KTGOHXXJTIORCD-VXGBXAGGSA-N 0 3 239.319 0.358 20 0 BCADHN Cc1cnn(C)c1CNCCNC(=O)C1CC1 ZINC000285350202 387262586 /nfs/dbraw/zinc/26/25/86/387262586.db2.gz DLNFKMBPKKPRQV-UHFFFAOYSA-N 0 3 236.319 0.344 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCCN(C)CC1 ZINC000336436854 387262994 /nfs/dbraw/zinc/26/29/94/387262994.db2.gz NAJXSLVHDOZRLU-SNVBAGLBSA-N 0 3 225.336 0.291 20 0 BCADHN CCOCCNC(=O)NCCN(C)CC ZINC000120731833 387268810 /nfs/dbraw/zinc/26/88/10/387268810.db2.gz IRIZPRWNJUEBOX-UHFFFAOYSA-N 0 3 217.313 0.274 20 0 BCADHN C(CN1CCCOCC1)C1OCCO1 ZINC000372048938 387269043 /nfs/dbraw/zinc/26/90/43/387269043.db2.gz NJYHZAMBIVSTOO-UHFFFAOYSA-N 0 3 201.266 0.472 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1cnc(N(C)C)nc1 ZINC000353759481 387269968 /nfs/dbraw/zinc/26/99/68/387269968.db2.gz XQVLVTGHVHMKMK-SECBINFHSA-N 0 3 237.307 0.464 20 0 BCADHN CC[C@@H](C(=O)NCCSCCCO)N(C)C ZINC000120820269 387275860 /nfs/dbraw/zinc/27/58/60/387275860.db2.gz CVQZZJFTZAJNAD-JTQLQIEISA-N 0 3 248.392 0.558 20 0 BCADHN CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CCO1 ZINC000514718857 387276922 /nfs/dbraw/zinc/27/69/22/387276922.db2.gz NMLWWFYIOBTWFW-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CC/C=C\CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000572227737 387280820 /nfs/dbraw/zinc/28/08/20/387280820.db2.gz VTPUVXPBJLNRRF-WYGGZMRJSA-N 0 3 240.351 0.237 20 0 BCADHN Cc1cnn(C)c1CNC[C@]1(O)CCO[C@@H]1C ZINC000286026346 387317914 /nfs/dbraw/zinc/31/79/14/387317914.db2.gz QESNXEMGJZSBID-ZYHUDNBSSA-N 0 3 239.319 0.358 20 0 BCADHN Cc1occc1CNC[C@H]1CN(C)CCN1C ZINC000321617168 387283879 /nfs/dbraw/zinc/28/38/79/387283879.db2.gz ZWUKZFJCEAKKAP-ZDUSSCGKSA-N 0 3 237.347 0.923 20 0 BCADHN Cn1nccc1CC(=O)N1CCNC(C)(C)C1 ZINC000336459164 387285468 /nfs/dbraw/zinc/28/54/68/387285468.db2.gz HAJAEMKLYUYHJL-UHFFFAOYSA-N 0 3 236.319 0.173 20 0 BCADHN CC[C@H]1CO[C@@H](C)CN1CCC(=O)N(C)C ZINC000353852387 387285501 /nfs/dbraw/zinc/28/55/01/387285501.db2.gz BVASLRDQMGWXAW-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN Cc1cc(CNC(=O)C(N)C(F)(F)F)no1 ZINC000572238577 387286173 /nfs/dbraw/zinc/28/61/73/387286173.db2.gz SPWGVZKHVFDGMN-ZCFIWIBFSA-N 0 3 237.181 0.489 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@H]1CNCCC1(F)F ZINC000423469465 387318165 /nfs/dbraw/zinc/31/81/65/387318165.db2.gz FYPPDBOQAIHKPQ-HLTSFMKQSA-N 0 3 222.279 0.997 20 0 BCADHN COC(=O)[C@@H](CF)NC(=O)[C@@H](C(C)C)N(C)C ZINC000360464218 387289146 /nfs/dbraw/zinc/28/91/46/387289146.db2.gz USXIMCRDWMGRCI-RKDXNWHRSA-N 0 3 248.298 0.200 20 0 BCADHN Cc1ncncc1[C@H](C)NCCOCCO ZINC000514826662 387292576 /nfs/dbraw/zinc/29/25/76/387292576.db2.gz OXFWPHXHMDZPID-VIFPVBQESA-N 0 3 225.292 0.445 20 0 BCADHN Cn1nncc1CN[C@]1(C)CCO[C@H]1C1CC1 ZINC000372343648 387293865 /nfs/dbraw/zinc/29/38/65/387293865.db2.gz BMZBZMVEZDCBNS-NWDGAFQWSA-N 0 3 236.319 0.862 20 0 BCADHN CCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)NC)C1 ZINC000514799373 387295545 /nfs/dbraw/zinc/29/55/45/387295545.db2.gz TXERTXNIVRCXNO-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN NS(=O)(=O)[C@@H]1CCN(C[C@@H]2CC=CCC2)C1 ZINC000336468006 387296039 /nfs/dbraw/zinc/29/60/39/387296039.db2.gz ANLKMAVDRUMYSB-GHMZBOCLSA-N 0 3 244.360 0.706 20 0 BCADHN NS(=O)(=O)[C@H]1CCN(C[C@H]2CC=CCC2)C1 ZINC000336468008 387296733 /nfs/dbraw/zinc/29/67/33/387296733.db2.gz ANLKMAVDRUMYSB-QWRGUYRKSA-N 0 3 244.360 0.706 20 0 BCADHN CCN1C[C@H](NC[C@H](O)CCC(C)C)CC1=O ZINC000514856645 387297586 /nfs/dbraw/zinc/29/75/86/387297586.db2.gz RDZMZMGQSOWEHX-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN COC(=O)[C@H]1CCN(Cc2ncccc2[O-])C1 ZINC000514891363 387303659 /nfs/dbraw/zinc/30/36/59/387303659.db2.gz TTZJYOAXJGSZPI-VIFPVBQESA-N 0 3 236.271 0.782 20 0 BCADHN COC(=O)[C@H]1CC[N@H+](Cc2ncccc2[O-])C1 ZINC000514891363 387303662 /nfs/dbraw/zinc/30/36/62/387303662.db2.gz TTZJYOAXJGSZPI-VIFPVBQESA-N 0 3 236.271 0.782 20 0 BCADHN COC(=O)[C@H]1CC[N@@H+](Cc2ncccc2[O-])C1 ZINC000514891363 387303667 /nfs/dbraw/zinc/30/36/67/387303667.db2.gz TTZJYOAXJGSZPI-VIFPVBQESA-N 0 3 236.271 0.782 20 0 BCADHN CO[C@H](C(=O)NC[C@](C)(O)CN(C)C)C(C)C ZINC000353968690 387304868 /nfs/dbraw/zinc/30/48/68/387304868.db2.gz YGOMYGUHPSJBRJ-JQWIXIFHSA-N 0 3 246.351 0.086 20 0 BCADHN C[C@@H](N)C(=O)N1CCc2ccsc2C1 ZINC000261531252 387308342 /nfs/dbraw/zinc/30/83/42/387308342.db2.gz FWCIRSFEBCRFRM-SSDOTTSWSA-N 0 3 210.302 0.980 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N1CCN(C)CC[C@@H]1C ZINC000354005991 387308482 /nfs/dbraw/zinc/30/84/82/387308482.db2.gz JRHFUYZLDTXDTI-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN NC(=O)[C@]1(NCC2CCCCC2)CCOC1 ZINC000572375806 387354483 /nfs/dbraw/zinc/35/44/83/387354483.db2.gz XPKJDBQDOULBMJ-LBPRGKRZSA-N 0 3 226.320 0.801 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cccc2nccn21 ZINC000354291047 387355697 /nfs/dbraw/zinc/35/56/97/387355697.db2.gz ZVJKJMYBDMKWTB-VIFPVBQESA-N 0 3 232.287 0.688 20 0 BCADHN CCN1CC[C@H](N[C@@H]2CSC[C@@H]2C)C1=O ZINC000648574814 387355799 /nfs/dbraw/zinc/35/57/99/387355799.db2.gz HZCLZRMVHFOAQJ-LPEHRKFASA-N 0 3 228.361 0.948 20 0 BCADHN CC[C@H](C)CN(CC)C(=O)C(=O)N(C)CCN ZINC000423523886 387356859 /nfs/dbraw/zinc/35/68/59/387356859.db2.gz WHDPOTHINYZBOS-JTQLQIEISA-N 0 3 243.351 0.298 20 0 BCADHN C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@](C)(O)C2)C1 ZINC000515309982 387358526 /nfs/dbraw/zinc/35/85/26/387358526.db2.gz NETBNUKTISDQTP-FOGDFJRCSA-N 0 3 226.320 0.358 20 0 BCADHN CC(=O)N1CC(N[C@H]2CSC[C@@H]2C)C1 ZINC000515311386 387358927 /nfs/dbraw/zinc/35/89/27/387358927.db2.gz JIJKIQGLQUNFQN-XVKPBYJWSA-N 0 3 214.334 0.558 20 0 BCADHN CS[C@H](C)CC(=O)N1CCN(C)C[C@@H]1CN ZINC000515302188 387360644 /nfs/dbraw/zinc/36/06/44/387360644.db2.gz LRTJDKOURNKXIT-ZJUUUORDSA-N 0 3 245.392 0.229 20 0 BCADHN CN(CCNC(=O)NCc1ccccn1)C1CC1 ZINC000352605181 387362283 /nfs/dbraw/zinc/36/22/83/387362283.db2.gz JDOMAWBOBWVHAG-UHFFFAOYSA-N 0 3 248.330 0.975 20 0 BCADHN CC1(C)[C@H](NCc2cc(=O)c(O)co2)C[C@@H]1O ZINC000515308451 387363503 /nfs/dbraw/zinc/36/35/03/387363503.db2.gz LWBVHBSVRRALDI-MNOVXSKESA-N 0 3 239.271 0.594 20 0 BCADHN C[C@@H]1C[C@H](CN2C[C@@H](CO)OC[C@H]2C)CCO1 ZINC000352611512 387363810 /nfs/dbraw/zinc/36/38/10/387363810.db2.gz HUAQWMKNSKYLAC-LPWJVIDDSA-N 0 3 243.347 0.883 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C1CC(C)(C)C1 ZINC000354345004 387364332 /nfs/dbraw/zinc/36/43/32/387364332.db2.gz XVCWIRZWNJGIDI-ZDUSSCGKSA-N 0 3 242.363 0.851 20 0 BCADHN COc1nccnc1CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000648593142 387364264 /nfs/dbraw/zinc/36/42/64/387364264.db2.gz VUWRLDYGFKYQPX-ZYHUDNBSSA-N 0 3 248.330 0.621 20 0 BCADHN NCC(F)(F)CNC(=O)C12CCCN1CCC2 ZINC000423551873 387373400 /nfs/dbraw/zinc/37/34/00/387373400.db2.gz UMNFALDDKFXSLO-UHFFFAOYSA-N 0 3 247.289 0.325 20 0 BCADHN CN(CCNC(=O)[C@@H]1CCSC1)C1CC1 ZINC000354425213 387373783 /nfs/dbraw/zinc/37/37/83/387373783.db2.gz UKORAYORZIHESF-SECBINFHSA-N 0 3 228.361 0.950 20 0 BCADHN C[C@H](CC(N)=O)NCc1cn(C)nc1C(F)F ZINC000360964320 387375396 /nfs/dbraw/zinc/37/53/96/387375396.db2.gz PRAILRLUNAVPES-ZCFIWIBFSA-N 0 3 246.261 0.711 20 0 BCADHN COC[C@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC000336553936 387375730 /nfs/dbraw/zinc/37/57/30/387375730.db2.gz JDIIGZFGSUPZBL-VHSXEESVSA-N 0 3 212.293 0.185 20 0 BCADHN O=C1NCCN1C1CCN(CCCF)CC1 ZINC000121533990 387376634 /nfs/dbraw/zinc/37/66/34/387376634.db2.gz PEKKFIFUUAGZEW-UHFFFAOYSA-N 0 3 229.299 0.836 20 0 BCADHN CC(C)CCN(C)[C@H](C)C(=O)NC(N)=O ZINC000049237476 387377993 /nfs/dbraw/zinc/37/79/93/387377993.db2.gz BIVABLXBWAMALY-MRVPVSSYSA-N 0 3 215.297 0.548 20 0 BCADHN CC(C)[C@@H]1C(=O)NCCN1C[C@@H]1CCOC1 ZINC000336554898 387378433 /nfs/dbraw/zinc/37/84/33/387378433.db2.gz VVEPHWVEKNOINR-WDEREUQCSA-N 0 3 226.320 0.479 20 0 BCADHN CC[C@H]1CN(C)CCN1CCn1cncn1 ZINC000572390897 387379505 /nfs/dbraw/zinc/37/95/05/387379505.db2.gz HJYKEFMZMHDKLL-NSHDSACASA-N 0 3 223.324 0.304 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000373560195 387379999 /nfs/dbraw/zinc/37/99/99/387379999.db2.gz FDEPMYUTQYFCNF-PSASIEDQSA-N 0 3 236.319 0.651 20 0 BCADHN CO[C@H](CN)C(=O)NCc1cc(C)nc(C)c1 ZINC000515416918 387380025 /nfs/dbraw/zinc/38/00/25/387380025.db2.gz SHPGBDJXJOWZGW-LLVKDONJSA-N 0 3 237.303 0.288 20 0 BCADHN CO[C@@H](C)CN(CC(=O)N1CCC1)C(C)C ZINC000354468765 387380254 /nfs/dbraw/zinc/38/02/54/387380254.db2.gz XZAQRKWLPNRQHH-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN COC[C@@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC000336558589 387382083 /nfs/dbraw/zinc/38/20/83/387382083.db2.gz DEGGOIDEWBIBLK-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN COC[C@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC000336558592 387382363 /nfs/dbraw/zinc/38/23/63/387382363.db2.gz DEGGOIDEWBIBLK-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CCc1nc(C(=O)NCCNCCOC)co1 ZINC000423478441 387326550 /nfs/dbraw/zinc/32/65/50/387326550.db2.gz MTUSSTQKKWLYNU-UHFFFAOYSA-N 0 3 241.291 0.203 20 0 BCADHN Cc1cnn(C)c1CN[C@H]1CCCOC1 ZINC000286480910 387326664 /nfs/dbraw/zinc/32/66/64/387326664.db2.gz LHXXBCIHJHQIKH-JTQLQIEISA-N 0 3 209.293 0.997 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)C[C@H]1CCOC1 ZINC000354075976 387326723 /nfs/dbraw/zinc/32/67/23/387326723.db2.gz QIGJIADFKHKDKX-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)C1CC1 ZINC000354081704 387326786 /nfs/dbraw/zinc/32/67/86/387326786.db2.gz HDHZNVHOAWSHQI-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)[C@@]1(C)CCOC1 ZINC000354083872 387328311 /nfs/dbraw/zinc/32/83/11/387328311.db2.gz UQXWIIMYXAJOKI-ZDUSSCGKSA-N 0 3 240.347 0.966 20 0 BCADHN 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ZINC000361333476 387442582 /nfs/dbraw/zinc/44/25/82/387442582.db2.gz AXWLBJXPQGJEIA-KXUCPTDWSA-N 0 3 242.344 0.938 20 0 BCADHN CN(C[C@H]1CCC[C@@H]1O)C(=O)[C@@H]1CCCCN1 ZINC000423875531 387442634 /nfs/dbraw/zinc/44/26/34/387442634.db2.gz RPAXYQWOVZZSSM-WOPDTQHZSA-N 0 3 240.347 0.748 20 0 BCADHN CO[C@H]1CCN(CCN2CC[C@H](OC)C2)C1 ZINC000361350150 387443653 /nfs/dbraw/zinc/44/36/53/387443653.db2.gz CLGURWCWOHUIPN-RYUDHWBXSA-N 0 3 228.336 0.428 20 0 BCADHN CCO[C@@H]1C[C@@H](NC(=O)C2(N)CCC2)[C@@H]1OC ZINC000423892417 387445923 /nfs/dbraw/zinc/44/59/23/387445923.db2.gz DZPPQZLRFHLHOM-BBBLOLIVSA-N 0 3 242.319 0.176 20 0 BCADHN CC[C@H]1CC[C@H](C)N1C(=O)COC1CNC1 ZINC000423893197 387446280 /nfs/dbraw/zinc/44/62/80/387446280.db2.gz ZNDLNEZMTOBHGE-UWVGGRQHSA-N 0 3 226.320 0.764 20 0 BCADHN O=C(CN1CC[C@H]([C@@H]2CCOC2)C1)NC1CC1 ZINC000374390575 387448198 /nfs/dbraw/zinc/44/81/98/387448198.db2.gz ICKDACLKUMVZIK-WDEREUQCSA-N 0 3 238.331 0.623 20 0 BCADHN CCc1cnccc1C(=O)NC[C@@H]1CNCCO1 ZINC000423991195 387462141 /nfs/dbraw/zinc/46/21/41/387462141.db2.gz DLMJFNAUOXHBFN-NSHDSACASA-N 0 3 249.314 0.362 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H](C)[C@H](C)OC ZINC000423915569 387449096 /nfs/dbraw/zinc/44/90/96/387449096.db2.gz AVFIIQZXTDTOHR-CIUDSAMLSA-N 0 3 202.298 0.653 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCC[C@@H](O)C1 ZINC000084480463 387449112 /nfs/dbraw/zinc/44/91/12/387449112.db2.gz DGSRGDIIYWRNGG-NXEZZACHSA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)[C@H]1CN([C@H](C)C(=O)N(C)C)CCN1C ZINC000336606005 387449396 /nfs/dbraw/zinc/44/93/96/387449396.db2.gz WPOPXBUMBHIVEB-VXGBXAGGSA-N 0 3 241.379 0.735 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)CNC[C@@H]1CCCO1 ZINC000423919068 387450331 /nfs/dbraw/zinc/45/03/31/387450331.db2.gz DSSUFAMKELUOQH-AXFHLTTASA-N 0 3 244.335 0.295 20 0 BCADHN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)[C@H]1CCCCN1 ZINC000423920562 387450777 /nfs/dbraw/zinc/45/07/77/387450777.db2.gz GSZAOOCFUNSFIE-QCNOEVLYSA-N 0 3 238.331 0.812 20 0 BCADHN C[C@H](O)CNCc1ccc2c(c1)oc(=O)n2C ZINC000352709163 387450823 /nfs/dbraw/zinc/45/08/23/387450823.db2.gz ZPEZRSIMGUVLBB-QMMMGPOBSA-N 0 3 236.271 0.602 20 0 BCADHN CC[C@]1(CO)CCCN([C@H]2COC[C@H]2O)C1 ZINC000361373114 387451002 /nfs/dbraw/zinc/45/10/02/387451002.db2.gz BLKUMDBFOLQPCP-TUAOUCFPSA-N 0 3 229.320 0.231 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)CCOC2CNC2)C1 ZINC000516048670 387451832 /nfs/dbraw/zinc/45/18/32/387451832.db2.gz UPAOCSQYUZQTPA-NXEZZACHSA-N 0 3 242.319 0.049 20 0 BCADHN NC1(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)CC1 ZINC000516048561 387452067 /nfs/dbraw/zinc/45/20/67/387452067.db2.gz JNEGXVOYZYSLMS-YIZRAAEISA-N 0 3 210.277 0.161 20 0 BCADHN CN(CCOCC1CC1)C(=O)[C@]1(F)CCNC1 ZINC000374454141 387454253 /nfs/dbraw/zinc/45/42/53/387454253.db2.gz HRHXSIROZZMRPP-LBPRGKRZSA-N 0 3 244.310 0.573 20 0 BCADHN CC(C)CCN1CCN2C(=O)NC[C@H]2C1 ZINC000085436135 387454625 /nfs/dbraw/zinc/45/46/25/387454625.db2.gz XIMBYSCTDLWKSD-JTQLQIEISA-N 0 3 211.309 0.742 20 0 BCADHN CC[C@H](C)[C@@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000423985162 387462373 /nfs/dbraw/zinc/46/23/73/387462373.db2.gz DAVJBSOPELNHOI-HBNTYKKESA-N 0 3 228.336 0.773 20 0 BCADHN CO[C@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC000336618000 387458515 /nfs/dbraw/zinc/45/85/15/387458515.db2.gz UZZRIYYHLFQNAW-UWVGGRQHSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@@H](O)[C@H]1CCCN(CCN2CCNC2=O)C1 ZINC000572400633 387387559 /nfs/dbraw/zinc/38/75/59/387387559.db2.gz SDWXTXJUOTWKDV-MNOVXSKESA-N 0 3 241.335 0.104 20 0 BCADHN CNC(=O)CCNCc1sc(C)nc1C ZINC000082784129 387389292 /nfs/dbraw/zinc/38/92/92/387389292.db2.gz JJTWBZKOAFPMMN-UHFFFAOYSA-N 0 3 227.333 0.986 20 0 BCADHN C[C@@H](NCC(C)(C)OCCO)c1cnccn1 ZINC000287203414 387390360 /nfs/dbraw/zinc/39/03/60/387390360.db2.gz DWMZLJFGZHNXTP-SNVBAGLBSA-N 0 3 239.319 0.915 20 0 BCADHN CC[C@H](O)CCNCc1cnc(C)n1C ZINC000515500324 387391047 /nfs/dbraw/zinc/39/10/47/387391047.db2.gz KTGLSZFHYZQNPF-NSHDSACASA-N 0 3 211.309 0.979 20 0 BCADHN CNC(=O)[C@H](C)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082944285 387392468 /nfs/dbraw/zinc/39/24/68/387392468.db2.gz GCKIBPPYFUTSTA-XKNYDFJKSA-N 0 3 226.320 0.524 20 0 BCADHN Cc1c(CC(=O)N[C@H](C)CN(C)C)cnn1C ZINC000354583528 387400121 /nfs/dbraw/zinc/40/01/21/387400121.db2.gz XJTBUFZDBVEBSM-SECBINFHSA-N 0 3 238.335 0.337 20 0 BCADHN CC[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)CN)C1 ZINC000423708250 387400694 /nfs/dbraw/zinc/40/06/94/387400694.db2.gz UPBQTWFBKKWCJX-VHSXEESVSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000361108015 387401795 /nfs/dbraw/zinc/40/17/95/387401795.db2.gz QRARWRWEWFYPAJ-VHSXEESVSA-N 0 3 235.287 0.409 20 0 BCADHN CO[C@@H](CN)C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000423721370 387402204 /nfs/dbraw/zinc/40/22/04/387402204.db2.gz BRGKMSNJSLXHOZ-ONGXEEELSA-N 0 3 228.336 0.996 20 0 BCADHN C[C@@H](CO)NCc1ccc2c(c1)oc(=O)n2C ZINC000352637815 387403386 /nfs/dbraw/zinc/40/33/86/387403386.db2.gz RASBWBOMDQKHAO-QMMMGPOBSA-N 0 3 236.271 0.602 20 0 BCADHN CCC[C@H](NC(C)C)C(=O)Nc1cn(C)nn1 ZINC000361150371 387406152 /nfs/dbraw/zinc/40/61/52/387406152.db2.gz PTMCWKXMVUZEDD-VIFPVBQESA-N 0 3 239.323 0.920 20 0 BCADHN COCCNCC(=O)NC[C@H]1CCC[C@@H]1OC ZINC000423745887 387407113 /nfs/dbraw/zinc/40/71/13/387407113.db2.gz NDJVOADUMRGWGU-MNOVXSKESA-N 0 3 244.335 0.154 20 0 BCADHN COC(=O)[C@H](C)CN(C(=O)[C@H](C)N)C1CC1 ZINC000423746322 387407673 /nfs/dbraw/zinc/40/76/73/387407673.db2.gz QUPSBNHERRCVTD-SFYZADRCSA-N 0 3 228.292 0.134 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@H](C)NC1CC1 ZINC000423743516 387407889 /nfs/dbraw/zinc/40/78/89/387407889.db2.gz MSNNUERUWMUWOO-QMMMGPOBSA-N 0 3 228.292 0.148 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)NC(=O)C1(N)CCC1 ZINC000423760306 387413496 /nfs/dbraw/zinc/41/34/96/387413496.db2.gz JOKICEIWCZQYPP-BDAKNGLRSA-N 0 3 242.319 0.572 20 0 BCADHN CNC(=O)CCCN(C)C(=O)[C@@H]1CCCCN1 ZINC000515651621 387414187 /nfs/dbraw/zinc/41/41/87/387414187.db2.gz AWZYITZEMACIGS-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CCC[C@](C)(N)C(=O)NCC1(C(=O)OC)CC1 ZINC000423758387 387414421 /nfs/dbraw/zinc/41/44/21/387414421.db2.gz FYIUSSKAZRMBFF-NSHDSACASA-N 0 3 242.319 0.573 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H](C)[C@H](C)C(=O)OCC ZINC000423760779 387414515 /nfs/dbraw/zinc/41/45/15/387414515.db2.gz KNFGYEJOCMKQRQ-AEJSXWLSSA-N 0 3 244.335 0.818 20 0 BCADHN C[C@@H](O)CN1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000374049793 387414695 /nfs/dbraw/zinc/41/46/95/387414695.db2.gz IQMMQLKOKLOAAQ-MWLCHTKSSA-N 0 3 226.320 0.358 20 0 BCADHN CO[C@@H](C)CNC(=O)C(N)C(F)(F)F ZINC000423761948 387415602 /nfs/dbraw/zinc/41/56/02/387415602.db2.gz NHQRJEFSWJDCIT-WHFBIAKZSA-N 0 3 214.187 0.027 20 0 BCADHN CO[C@@H](C)CNC(=O)C(N)C(F)(F)F ZINC000423761945 387415871 /nfs/dbraw/zinc/41/58/71/387415871.db2.gz NHQRJEFSWJDCIT-CRCLSJGQSA-N 0 3 214.187 0.027 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000423763182 387416099 /nfs/dbraw/zinc/41/60/99/387416099.db2.gz PHAXAQJXFURBNV-KXUCPTDWSA-N 0 3 243.351 0.247 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C(=O)NC)C(C)C ZINC000423763179 387416373 /nfs/dbraw/zinc/41/63/73/387416373.db2.gz PHAXAQJXFURBNV-AEJSXWLSSA-N 0 3 243.351 0.247 20 0 BCADHN CO[C@H](C)CNC(=O)C(N)C(F)(F)F ZINC000423761946 387416737 /nfs/dbraw/zinc/41/67/37/387416737.db2.gz NHQRJEFSWJDCIT-RFZPGFLSSA-N 0 3 214.187 0.027 20 0 BCADHN COC(=O)[C@@H]1CN(CCO)C[C@H]1c1ccccc1 ZINC000374075084 387417489 /nfs/dbraw/zinc/41/74/89/387417489.db2.gz QAYZDDLPASBYCR-QWHCGFSZSA-N 0 3 249.310 0.867 20 0 BCADHN CCOC[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)C(C)C ZINC000423769517 387418315 /nfs/dbraw/zinc/41/83/15/387418315.db2.gz CKFPNVZCYYUEOZ-HBNTYKKESA-N 0 3 246.326 0.864 20 0 BCADHN CCCSCC(=O)NC[C@@H]1CNCCO1 ZINC000423984893 387461144 /nfs/dbraw/zinc/46/11/44/387461144.db2.gz CMYKWLAKSWYHCG-VIFPVBQESA-N 0 3 232.349 0.234 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@H](C)C[C@H]1C(N)=O ZINC000423777607 387423136 /nfs/dbraw/zinc/42/31/36/387423136.db2.gz RWMBWLYBJVZOAR-GUBZILKMSA-N 0 3 241.335 0.226 20 0 BCADHN CC(C)N1CCC[C@H](NC(=O)C(C)(C)CO)C1 ZINC000516313300 387493665 /nfs/dbraw/zinc/49/36/65/387493665.db2.gz MHUPOEBQKPBGDW-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)C(C)(C)C1CC1 ZINC000355187816 387494472 /nfs/dbraw/zinc/49/44/72/387494472.db2.gz SJRDVVMAEDTISR-CYBMUJFWSA-N 0 3 242.363 0.851 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1COC(C)(C)C1 ZINC000396833814 387496734 /nfs/dbraw/zinc/49/67/34/387496734.db2.gz VJTGEDXRXFANPY-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN CCN(CCN1CCOCC1)C[C@@H](C)OC ZINC000361570779 387496866 /nfs/dbraw/zinc/49/68/66/387496866.db2.gz YBOZKFGKVYEIHR-GFCCVEGCSA-N 0 3 230.352 0.675 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccccc1 ZINC000424111290 387542836 /nfs/dbraw/zinc/54/28/36/387542836.db2.gz AFAWMOKMHYWADF-WDEREUQCSA-N 0 3 247.298 0.479 20 0 BCADHN CC(=O)Nc1ncccc1NC(=O)[C@@H](C)N ZINC000516293700 387497572 /nfs/dbraw/zinc/49/75/72/387497572.db2.gz MQMQKJYOXUZVIJ-ZCFIWIBFSA-N 0 3 222.248 0.326 20 0 BCADHN NC(=O)CCN[C@@H](CO)c1ccsc1 ZINC000516291067 387497953 /nfs/dbraw/zinc/49/79/53/387497953.db2.gz HPJDXLPPVWDPOT-QMMMGPOBSA-N 0 3 214.290 0.247 20 0 BCADHN CS(=O)(=O)NCCN(CC1CC1)C1CCC1 ZINC000361575740 387498713 /nfs/dbraw/zinc/49/87/13/387498713.db2.gz CUTSZJKQAUKFLE-UHFFFAOYSA-N 0 3 246.376 0.800 20 0 BCADHN COC(=O)CCCN[C@](C)(C(N)=O)C(C)C ZINC000304641950 387499884 /nfs/dbraw/zinc/49/98/84/387499884.db2.gz WXMYILBSLMYABD-NSHDSACASA-N 0 3 230.308 0.429 20 0 BCADHN C[C@@H]1OCC[C@H]1N(CCO)CCCF ZINC000361580252 387502579 /nfs/dbraw/zinc/50/25/79/387502579.db2.gz WPUAKBUUFBDJDZ-VHSXEESVSA-N 0 3 205.273 0.818 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)N[C@H](C)CN(C)C)C1 ZINC000355242805 387503759 /nfs/dbraw/zinc/50/37/59/387503759.db2.gz RMBRODXMTWIZSA-OUAUKWLOSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@H](NC(=O)[C@H]1NCC1(C)C)c1ncon1 ZINC000648110438 387503927 /nfs/dbraw/zinc/50/39/27/387503927.db2.gz KJLSMKDSSOTROB-NKWVEPMBSA-N 0 3 224.264 0.245 20 0 BCADHN CCN(C[C@@H](O)CSC)[C@H]1CCOC1 ZINC000361591504 387504146 /nfs/dbraw/zinc/50/41/46/387504146.db2.gz NRBYPAQSJOEJJG-VHSXEESVSA-N 0 3 219.350 0.821 20 0 BCADHN CCO[C@@H](C)C(=O)N(CCOC)CCN(C)C ZINC000355237934 387504128 /nfs/dbraw/zinc/50/41/28/387504128.db2.gz MKVVHFJGWSIIGC-NSHDSACASA-N 0 3 246.351 0.448 20 0 BCADHN CN1CCN(C)[C@@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000396864584 387508172 /nfs/dbraw/zinc/50/81/72/387508172.db2.gz SYKWFFLZSDBPJH-RYUDHWBXSA-N 0 3 241.379 0.389 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](N)CC(C)C)[nH]n1 ZINC000648079675 387509156 /nfs/dbraw/zinc/50/91/56/387509156.db2.gz JZXDMCWJZREYRT-JTQLQIEISA-N 0 3 224.308 0.708 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](N)CC(C)C)n[nH]1 ZINC000648079675 387509159 /nfs/dbraw/zinc/50/91/59/387509159.db2.gz JZXDMCWJZREYRT-JTQLQIEISA-N 0 3 224.308 0.708 20 0 BCADHN COc1cc(CNC(=O)[C@@H]2C[C@@H]2N)ccc1C ZINC000424098109 387510009 /nfs/dbraw/zinc/51/00/09/387510009.db2.gz BXVWLVOIYGRMSB-MNOVXSKESA-N 0 3 234.299 0.967 20 0 BCADHN O=C(NCC1(CO)CC1)[C@H]1CNCCC1(F)F ZINC000648080070 387510888 /nfs/dbraw/zinc/51/08/88/387510888.db2.gz VBGFSDPICPYNAR-MRVPVSSYSA-N 0 3 248.273 0.120 20 0 BCADHN CCN(CC(N)=O)CC1(OC)CCCC1 ZINC000361613589 387511056 /nfs/dbraw/zinc/51/10/56/387511056.db2.gz YLACYXSPZXINTL-UHFFFAOYSA-N 0 3 214.309 0.753 20 0 BCADHN CO[C@@H]1CN(CCC2(O)CCC2)C[C@@H]1OC ZINC000396905721 387511109 /nfs/dbraw/zinc/51/11/09/387511109.db2.gz FLUAMQHXLJGCJQ-PHIMTYICSA-N 0 3 229.320 0.637 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H](C)C[C@@H](CO)C1 ZINC000421965355 387512069 /nfs/dbraw/zinc/51/20/69/387512069.db2.gz IZLZUXWPBRNKFB-VXGBXAGGSA-N 0 3 242.363 0.805 20 0 BCADHN COCCN(Cc1cncs1)C(=O)[C@@H](C)N ZINC000516462911 387512768 /nfs/dbraw/zinc/51/27/68/387512768.db2.gz PQELLTGNGDOSGA-MRVPVSSYSA-N 0 3 243.332 0.465 20 0 BCADHN COCCNCC(=O)N(CC1CC1)C(C)C ZINC000086158164 387515409 /nfs/dbraw/zinc/51/54/09/387515409.db2.gz XOVANYDHRFWGTL-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)[C@@H](CO)C(=O)N(C)C[C@H]1CCCN1C ZINC000422032347 387543640 /nfs/dbraw/zinc/54/36/40/387543640.db2.gz FIYBJIWGRBDTJU-VXGBXAGGSA-N 0 3 242.363 0.804 20 0 BCADHN CN(C)CC1(NS(=O)(=O)C2CC2)CCC1 ZINC000355317176 387519932 /nfs/dbraw/zinc/51/99/32/387519932.db2.gz BRTQBTABYGFRIV-UHFFFAOYSA-N 0 3 232.349 0.553 20 0 BCADHN CN(C)CCNC(=O)c1cnc(Cl)cn1 ZINC000192667376 387521264 /nfs/dbraw/zinc/52/12/64/387521264.db2.gz OBRSEYQYVQZRCV-UHFFFAOYSA-N 0 3 228.683 0.421 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000361695296 387521724 /nfs/dbraw/zinc/52/17/24/387521724.db2.gz DEOVLVLZPKKQRX-SKDRFNHKSA-N 0 3 233.315 0.637 20 0 BCADHN CN(C)CCN(C(=O)CN(C)C)C1CCCC1 ZINC000355340960 387521877 /nfs/dbraw/zinc/52/18/77/387521877.db2.gz LFTHZMDMAIDZEF-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN C[C@H](CF)NC(=O)NCCOCCN(C)C ZINC000355357237 387522670 /nfs/dbraw/zinc/52/26/70/387522670.db2.gz WAQJSZSEXUBTGC-SECBINFHSA-N 0 3 235.303 0.222 20 0 BCADHN COC[C@H]1CCCCN1CCOCCO ZINC000396024893 387524174 /nfs/dbraw/zinc/52/41/74/387524174.db2.gz UNFRCCVIJREJBJ-LLVKDONJSA-N 0 3 217.309 0.496 20 0 BCADHN COC[C@@H]1CCCCN1CCOCCO ZINC000396024896 387524343 /nfs/dbraw/zinc/52/43/43/387524343.db2.gz UNFRCCVIJREJBJ-NSHDSACASA-N 0 3 217.309 0.496 20 0 BCADHN C[C@H]1[C@H](NC(=O)N[C@@H]2CC[C@H]2O)CCCN1C ZINC000425725412 387524513 /nfs/dbraw/zinc/52/45/13/387524513.db2.gz LYYQDXJMJRUHJM-LNFKQOIKSA-N 0 3 241.335 0.292 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc(-c2cnn(C)c2)n1 ZINC000361718503 387525104 /nfs/dbraw/zinc/52/51/04/387525104.db2.gz OGCIAJIHZRLVIS-QMMMGPOBSA-N 0 3 245.286 0.768 20 0 BCADHN C[C@H]1COCCN1CCN1CCCC[C@@H]1CO ZINC000192696860 387525169 /nfs/dbraw/zinc/52/51/69/387525169.db2.gz KIWGNJVHHPLZSQ-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN Cc1cc(CN(C)C(=O)[C@]2(F)CCNC2)no1 ZINC000361709580 387525452 /nfs/dbraw/zinc/52/54/52/387525452.db2.gz VTNGYBZIMJKNML-NSHDSACASA-N 0 3 241.266 0.643 20 0 BCADHN CO[C@@H]1CCC[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000361702196 387525588 /nfs/dbraw/zinc/52/55/88/387525588.db2.gz UOYXZRAHWSXZTN-FXPVBKGRSA-N 0 3 230.283 0.372 20 0 BCADHN CCN(CCO)CCN1CCOC[C@@H]1C ZINC000192710084 387526411 /nfs/dbraw/zinc/52/64/11/387526411.db2.gz SGHAAYYSUBBEDM-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN CCOC[C@@H](C)NC(=O)N[C@H](C)CN(C)C ZINC000355374533 387528490 /nfs/dbraw/zinc/52/84/90/387528490.db2.gz VCAWKOIQLMAJHO-NXEZZACHSA-N 0 3 231.340 0.661 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCSC2)CCN1CCO ZINC000426164142 387544288 /nfs/dbraw/zinc/54/42/88/387544288.db2.gz XOSLAVQFEIXTTL-VXGBXAGGSA-N 0 3 244.404 0.738 20 0 BCADHN c1ncn(CCN2CCC[C@H]2[C@@H]2CCCO2)n1 ZINC000375347358 387531637 /nfs/dbraw/zinc/53/16/37/387531637.db2.gz CQQQFCMSLMRNJF-RYUDHWBXSA-N 0 3 236.319 0.922 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](CO)C[C@@H]1C ZINC000426165174 387544401 /nfs/dbraw/zinc/54/44/01/387544401.db2.gz XQEVQPPVKHLNQV-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CC1(OCC(=O)NC2(C3CC3)CC2)CNC1 ZINC000648084948 387535192 /nfs/dbraw/zinc/53/51/92/387535192.db2.gz GGFAFFITYSPPCJ-UHFFFAOYSA-N 0 3 224.304 0.424 20 0 BCADHN CO[C@H]1CCN(C(=O)NCCN(C)C2CC2)C1 ZINC000361788719 387535570 /nfs/dbraw/zinc/53/55/70/387535570.db2.gz OYBBBOJLJBZWBI-NSHDSACASA-N 0 3 241.335 0.511 20 0 BCADHN CC[C@H](CN1C[C@@H](O)[C@H](OC)C1)OC ZINC000397064546 387536612 /nfs/dbraw/zinc/53/66/12/387536612.db2.gz SNZRNMBDFJZMJX-OPRDCNLKSA-N 0 3 203.282 0.103 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)[C@@](C)(O)C1CC1 ZINC000422038762 387544650 /nfs/dbraw/zinc/54/46/50/387544650.db2.gz QOESRISQKJTOMG-YPMHNXCESA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@@H](C(=O)N(C)CC(C)(C)O)N(C)C ZINC000305051644 387540057 /nfs/dbraw/zinc/54/00/57/387540057.db2.gz ABDLTYPWLIZYPC-VIFPVBQESA-N 0 3 216.325 0.556 20 0 BCADHN CC(C)(C)CCN1CCO[C@H](C(N)=O)C1 ZINC000112697340 387544686 /nfs/dbraw/zinc/54/46/86/387544686.db2.gz JGNDMLWIRWUGMV-VIFPVBQESA-N 0 3 214.309 0.609 20 0 BCADHN COC(=O)CCN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374530791 387462803 /nfs/dbraw/zinc/46/28/03/387462803.db2.gz OXPSIUKPZAOBMK-SECBINFHSA-N 0 3 238.291 0.547 20 0 BCADHN CCN(CCOC)C(=O)NCCN(C)C1CC1 ZINC000352732417 387464435 /nfs/dbraw/zinc/46/44/35/387464435.db2.gz RFMYKVIXAMMBQE-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN CCN(CCO)C(=O)NCCN(C)C1CC1 ZINC000352732107 387464986 /nfs/dbraw/zinc/46/49/86/387464986.db2.gz RDURWHXUPFFFQY-UHFFFAOYSA-N 0 3 229.324 0.104 20 0 BCADHN CCc1ccc(CNC[C@]2(O)CCOC2)cn1 ZINC000352760749 387467301 /nfs/dbraw/zinc/46/73/01/387467301.db2.gz RTUMXDNZYPWVRF-CYBMUJFWSA-N 0 3 236.315 0.885 20 0 BCADHN CCN(CC(=O)NCC(=O)OC)CC1CCC1 ZINC000361480463 387468188 /nfs/dbraw/zinc/46/81/88/387468188.db2.gz CYHYZUFEARXPHD-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@H](C)c1ccon1 ZINC000355068701 387474436 /nfs/dbraw/zinc/47/44/36/387474436.db2.gz ALDZUDANOLFLOE-RKDXNWHRSA-N 0 3 240.307 0.985 20 0 BCADHN C[C@H](O)CN(C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000361505460 387475014 /nfs/dbraw/zinc/47/50/14/387475014.db2.gz OXLKBTKTEKSODM-SDDRHHMPSA-N 0 3 228.336 0.162 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCCOCC1CC1 ZINC000424067292 387476785 /nfs/dbraw/zinc/47/67/85/387476785.db2.gz PFGINAFVTBQVGK-VHSXEESVSA-N 0 3 212.293 0.267 20 0 BCADHN CO[C@H]1CCCN(CC(=O)N(C)C)CC1 ZINC000374664354 387478443 /nfs/dbraw/zinc/47/84/43/387478443.db2.gz RRYMVAGYLOLKIT-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN COC[C@H](C)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355106541 387481624 /nfs/dbraw/zinc/48/16/24/387481624.db2.gz XLXVOWUMHQUZRH-ONGXEEELSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H](CNC(=O)c1cncc([O-])c1)[N@H+](C)C1CC1 ZINC000111599682 387542539 /nfs/dbraw/zinc/54/25/39/387542539.db2.gz UDFYKHDXYWETIQ-VIFPVBQESA-N 0 3 249.314 1.000 20 0 BCADHN C[C@@H](CNC(=O)c1cncc([O-])c1)[N@@H+](C)C1CC1 ZINC000111599682 387542544 /nfs/dbraw/zinc/54/25/44/387542544.db2.gz UDFYKHDXYWETIQ-VIFPVBQESA-N 0 3 249.314 1.000 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N(C)CCN(C)C)CCO1 ZINC000355140253 387486129 /nfs/dbraw/zinc/48/61/29/387486129.db2.gz TWGFDHSYNBDUOQ-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN CCC[C@@H](O)CN1C[C@@H](OC)[C@@H](OC)C1 ZINC000233299258 134561451 /nfs/dbraw/zinc/56/14/51/134561451.db2.gz OXCQYLRKEBRFCR-MXWKQRLJSA-N 0 3 217.309 0.493 20 0 BCADHN CC(C)N(C)C(=O)CN1CC[C@@](C)(C(N)=O)C1 ZINC000361556929 387487363 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CMRFPKIGSYXCIS-LBPRGKRZSA-N 0 3 244.379 0.657 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@@]1(F)CCNC1 ZINC000305137053 387558895 /nfs/dbraw/zinc/55/88/95/387558895.db2.gz UKSMIRDNAZXLGA-MWLCHTKSSA-N 0 3 232.299 0.213 20 0 BCADHN CNC(=O)N[C@H]1CCN(CC(C)(C)COC)C1 ZINC000426357694 387559011 /nfs/dbraw/zinc/55/90/11/387559011.db2.gz RWZIJZGUNTXNLY-JTQLQIEISA-N 0 3 243.351 0.662 20 0 BCADHN CC[C@@H](CCO)NC(=O)CN(C)C(C)C ZINC000305128493 387559567 /nfs/dbraw/zinc/55/95/67/387559567.db2.gz JBGWZMQUMKKMTG-JTQLQIEISA-N 0 3 216.325 0.604 20 0 BCADHN C[C@@H](NCC(=O)N1CCOCC1)[C@H]1CCCO1 ZINC000035247552 387560395 /nfs/dbraw/zinc/56/03/95/387560395.db2.gz CLBQZWLVJOZWLG-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN CCO[C@H]1COCC[C@@H]1NCC(=O)NC(C)C ZINC000362012476 387561227 /nfs/dbraw/zinc/56/12/27/387561227.db2.gz HIEORFPKXIQMQE-QWRGUYRKSA-N 0 3 244.335 0.295 20 0 BCADHN C[C@H](O)CN(C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000362008544 387561293 /nfs/dbraw/zinc/56/12/93/387561293.db2.gz 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XXPIVOCOIBHJIU-GFCCVEGCSA-N 0 3 236.319 0.779 20 0 BCADHN C[C@H](O)CN(C)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000362078632 387569044 /nfs/dbraw/zinc/56/90/44/387569044.db2.gz SWEHIXHROHZVAF-AXFHLTTASA-N 0 3 243.351 0.491 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@@H]1COCCO1 ZINC000038060870 387569522 /nfs/dbraw/zinc/56/95/22/387569522.db2.gz PPPBESBNTSGLMA-SNVBAGLBSA-N 0 3 225.292 0.532 20 0 BCADHN CCCCN(C)CCNC(=O)C1(O)CCC1 ZINC000356199230 387627741 /nfs/dbraw/zinc/62/77/41/387627741.db2.gz DXBNCSAWJZYBII-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)NC[C@H]1CNCCO1 ZINC000418773239 387572472 /nfs/dbraw/zinc/57/24/72/387572472.db2.gz UABYEYQQKDUBMS-GHMZBOCLSA-N 0 3 243.351 0.662 20 0 BCADHN CCN(CCNC(=O)[C@H](CO)C(C)C)C1CC1 ZINC000362105655 387572875 /nfs/dbraw/zinc/57/28/75/387572875.db2.gz IBLICXADYXSUHL-GFCCVEGCSA-N 0 3 242.363 0.851 20 0 BCADHN CN(CCO)C(=O)CC1CCN(C)CC1 ZINC000362545937 387627845 /nfs/dbraw/zinc/62/78/45/387627845.db2.gz TYYVVNHSRPORKY-UHFFFAOYSA-N 0 3 214.309 0.169 20 0 BCADHN CCN(C(=O)N[C@H](C)CN(C)C)[C@H]1CCOC1 ZINC000362111604 387575656 /nfs/dbraw/zinc/57/56/56/387575656.db2.gz GOCVNMZFEIXSHC-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN COC1(CCN2CCOC[C@@H](O)C2)CCC1 ZINC000399867859 387575958 /nfs/dbraw/zinc/57/59/58/387575958.db2.gz AUKXIACJJMPEDC-NSHDSACASA-N 0 3 229.320 0.639 20 0 BCADHN CCN(CCO)CCNC(=O)C1(CCF)CC1 ZINC000355741926 387575930 /nfs/dbraw/zinc/57/59/30/387575930.db2.gz BFLTVBUBHGYDIL-UHFFFAOYSA-N 0 3 246.326 0.557 20 0 BCADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)CC[C@H]1C)N(C)C ZINC000422113833 387576183 /nfs/dbraw/zinc/57/61/83/387576183.db2.gz KJTLRZSUMFDOHW-WOPDTQHZSA-N 0 3 242.363 0.944 20 0 BCADHN CCN(CCO)CCNC(=O)C[C@@H]1C[C@H]1C ZINC000355748179 387577361 /nfs/dbraw/zinc/57/73/61/387577361.db2.gz JHGNNCVWQMNNEE-MNOVXSKESA-N 0 3 228.336 0.463 20 0 BCADHN COCCN(CCOC)[C@@H]1CCO[C@@H]1C ZINC000355755390 387577438 /nfs/dbraw/zinc/57/74/38/387577438.db2.gz HIIJDJPXSBFHJU-GHMZBOCLSA-N 0 3 217.309 0.759 20 0 BCADHN O[C@H](CNCc1ccncc1)[C@H]1CCCO1 ZINC000527757345 387694670 /nfs/dbraw/zinc/69/46/70/387694670.db2.gz DNPXKWMEWNKMHU-VXGBXAGGSA-N 0 3 222.288 0.711 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N(CCN(C)C)C2CC2)CO1 ZINC000356289872 387635384 /nfs/dbraw/zinc/63/53/84/387635384.db2.gz BMBLIUIUULXVDQ-MNOVXSKESA-N 0 3 240.347 0.964 20 0 BCADHN Cn1cccc1CN1CC[C@H](C(N)=O)C1 ZINC000124924433 387636520 /nfs/dbraw/zinc/63/65/20/387636520.db2.gz KZPIMGBVMWEEEL-VIFPVBQESA-N 0 3 207.277 0.332 20 0 BCADHN C[C@H](N[C@H]1CCc2ccccc2OC1)C(N)=O ZINC000376469586 387636585 /nfs/dbraw/zinc/63/65/85/387636585.db2.gz SKQMSVRZROPGIK-ONGXEEELSA-N 0 3 234.299 0.844 20 0 BCADHN C[C@H](C(N)=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124986677 387639306 /nfs/dbraw/zinc/63/93/06/387639306.db2.gz CPRKYILZMSUKFB-KXNHARMFSA-N 0 3 240.347 0.876 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1nncn1C(C)C ZINC000430697815 387639609 /nfs/dbraw/zinc/63/96/09/387639609.db2.gz MBAYINQSCGIZRY-SNVBAGLBSA-N 0 3 239.323 0.459 20 0 BCADHN Cc1cncc(NC(=O)COC2CNC2)c1 ZINC000430711438 387642491 /nfs/dbraw/zinc/64/24/91/387642491.db2.gz WOYFISQYWHFZIS-UHFFFAOYSA-N 0 3 221.260 0.317 20 0 BCADHN C[C@H]1C[C@H](NC(=O)[C@H]2CSCN2)CCN1C ZINC000430702453 387642675 /nfs/dbraw/zinc/64/26/75/387642675.db2.gz YUYPTIUYMZBORP-IVZWLZJFSA-N 0 3 243.376 0.248 20 0 BCADHN Cc1ccc(NC(=O)COC2CNC2)c(C)n1 ZINC000430704137 387642790 /nfs/dbraw/zinc/64/27/90/387642790.db2.gz WRBFNUIDJRPSNO-UHFFFAOYSA-N 0 3 235.287 0.625 20 0 BCADHN CC(C)(C)CN1CCCN(S(C)(=O)=O)CC1 ZINC000125157949 387646718 /nfs/dbraw/zinc/64/67/18/387646718.db2.gz ZLYITGMIWOKNHJ-UHFFFAOYSA-N 0 3 248.392 1.000 20 0 BCADHN Cc1cnn(C)c1CNC[C@H](O)[C@@H]1CCCO1 ZINC000527758000 387695163 /nfs/dbraw/zinc/69/51/63/387695163.db2.gz RXWLBSOPSXIVRI-RYUDHWBXSA-N 0 3 239.319 0.358 20 0 BCADHN CN1CCC(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC1 ZINC000356372774 387649787 /nfs/dbraw/zinc/64/97/87/387649787.db2.gz YPKSQXQIJFGHQD-TUAOUCFPSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCCN(C)C ZINC000527641839 387649835 /nfs/dbraw/zinc/64/98/35/387649835.db2.gz IEJBDRSGXYBQRJ-UKKRHICBSA-N 0 3 228.336 0.724 20 0 BCADHN CSCC[C@@H](N)C(=O)N(C)c1cnn(C)c1 ZINC000430820441 387653456 /nfs/dbraw/zinc/65/34/56/387653456.db2.gz KIAWVRJUBWUELZ-SECBINFHSA-N 0 3 242.348 0.463 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(CCN2CCCC2=O)C1 ZINC000305793478 387655254 /nfs/dbraw/zinc/65/52/54/387655254.db2.gz DPPCJVSNESZDDX-GHMZBOCLSA-N 0 3 226.320 0.312 20 0 BCADHN CS[C@@H](C)CNC(=O)CNC[C@H]1CCCO1 ZINC000125427946 387655566 /nfs/dbraw/zinc/65/55/66/387655566.db2.gz UKTAGQDUKOHDJF-VHSXEESVSA-N 0 3 246.376 0.623 20 0 BCADHN CC[C@H](N)C(=O)NCCN(C)CC(F)(F)F ZINC000430869837 387657333 /nfs/dbraw/zinc/65/73/33/387657333.db2.gz RFUIYMPSGFXXDQ-ZETCQYMHSA-N 0 3 241.257 0.334 20 0 BCADHN CO[C@@]1(CN[C@H](C)c2cnn(C)c2)CCOC1 ZINC000123152542 387659097 /nfs/dbraw/zinc/65/90/97/387659097.db2.gz VNHLVTKTVUDBQS-ZYHUDNBSSA-N 0 3 239.319 0.876 20 0 BCADHN CCN(CC)C(=O)C1(N)CCOCC1 ZINC000149627042 387659236 /nfs/dbraw/zinc/65/92/36/387659236.db2.gz YYWKRSJGUCVXAC-UHFFFAOYSA-N 0 3 200.282 0.363 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)NCC1COC1 ZINC000527651744 387660029 /nfs/dbraw/zinc/66/00/29/387660029.db2.gz JURAHVMEHUZFME-LLVKDONJSA-N 0 3 241.335 0.416 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@H](C)CSC ZINC000422759436 387661068 /nfs/dbraw/zinc/66/10/68/387661068.db2.gz OZPZSTMAEJDUIL-OPRDCNLKSA-N 0 3 246.376 0.621 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H](C)CSC ZINC000422759434 387661902 /nfs/dbraw/zinc/66/19/02/387661902.db2.gz OZPZSTMAEJDUIL-KXUCPTDWSA-N 0 3 246.376 0.621 20 0 BCADHN Cc1cc(CNC[C@@H]2CN(C)CCN2C)ccn1 ZINC000527657192 387662151 /nfs/dbraw/zinc/66/21/51/387662151.db2.gz JXKYBEHPLMGLHN-CQSZACIVSA-N 0 3 248.374 0.725 20 0 BCADHN CC[C@H](NC(=O)[C@@H]1C[C@@H]1N)c1ccncc1 ZINC000424136955 387662880 /nfs/dbraw/zinc/66/28/80/387662880.db2.gz BKANDUSSMBBFJV-VWYCJHECSA-N 0 3 219.288 0.996 20 0 BCADHN C[C@@H](O)[C@H]1CCN(CC(=O)N(C)CC2CC2)C1 ZINC000305849688 387663798 /nfs/dbraw/zinc/66/37/98/387663798.db2.gz JFWYAOKOWBMADS-PWSUYJOCSA-N 0 3 240.347 0.558 20 0 BCADHN CCc1cc(=O)[n-]c(CN(C)[C@@H](C)C[NH3+])n1 ZINC000430961809 387666488 /nfs/dbraw/zinc/66/64/88/387666488.db2.gz AXIUCWNXWLBAGI-QMMMGPOBSA-N 0 3 224.308 0.524 20 0 BCADHN COc1ccc(NC(=O)[C@@H](C)N)cc1N ZINC000309425975 387666911 /nfs/dbraw/zinc/66/69/11/387666911.db2.gz KJJNNCOYSOWVSD-ZCFIWIBFSA-N 0 3 209.249 0.563 20 0 BCADHN CN1CCC(CC(=O)NC[C@@H](O)C2CC2)CC1 ZINC000362893877 387668317 /nfs/dbraw/zinc/66/83/17/387668317.db2.gz UWVYQQAAHWQAAE-GFCCVEGCSA-N 0 3 240.347 0.605 20 0 BCADHN CNCC(=O)NCc1csc([C@@H](C)OC)n1 ZINC000431016331 387669917 /nfs/dbraw/zinc/66/99/17/387669917.db2.gz UPTUOCRYIGECKJ-SSDOTTSWSA-N 0 3 243.332 0.686 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@]1(F)CCNC1)C(C)C ZINC000376792690 387670457 /nfs/dbraw/zinc/67/04/57/387670457.db2.gz YAVOHEZEFDOXJX-KWQFWETISA-N 0 3 246.282 0.002 20 0 BCADHN CCCCN(CCOC)C(=O)[C@]1(F)CCNC1 ZINC000376790437 387670618 /nfs/dbraw/zinc/67/06/18/387670618.db2.gz CGZWFSXTDCPOBG-LBPRGKRZSA-N 0 3 246.326 0.963 20 0 BCADHN O[C@@H](CNCc1cncs1)[C@H]1CCCO1 ZINC000527756919 387695895 /nfs/dbraw/zinc/69/58/95/387695895.db2.gz GSKDSWDIOGLXSW-VHSXEESVSA-N 0 3 228.317 0.773 20 0 BCADHN Cc1nn(C)cc1CNC[C@H]1COCCO1 ZINC000125975743 387671695 /nfs/dbraw/zinc/67/16/95/387671695.db2.gz COTKMUAXPWZXLZ-NSHDSACASA-N 0 3 225.292 0.234 20 0 BCADHN Cc1ncc(CNC[C@H](O)[C@@H]2CCCO2)n1C ZINC000527757778 387696004 /nfs/dbraw/zinc/69/60/04/387696004.db2.gz ROOHDMNVQPRELY-RYUDHWBXSA-N 0 3 239.319 0.358 20 0 BCADHN C[C@@H](O)CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000123269941 387671808 /nfs/dbraw/zinc/67/18/08/387671808.db2.gz MCLVOOWDIFBZNI-MWLCHTKSSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@H](O)CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000123270215 387672407 /nfs/dbraw/zinc/67/24/07/387672407.db2.gz MCLVOOWDIFBZNI-ONGXEEELSA-N 0 3 226.320 0.358 20 0 BCADHN COc1ccncc1NC(=O)COC1CNC1 ZINC000431039887 387672754 /nfs/dbraw/zinc/67/27/54/387672754.db2.gz JKQJWWZIBLNEAT-UHFFFAOYSA-N 0 3 237.259 0.017 20 0 BCADHN COCCN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451903632 387675951 /nfs/dbraw/zinc/67/59/51/387675951.db2.gz JKESBZOLZNCMBX-YUMQZZPRSA-N 0 3 227.226 0.878 20 0 BCADHN Cc1cc(CNC[C@H](O)Cn2ccnn2)ccn1 ZINC000527722502 387676183 /nfs/dbraw/zinc/67/61/83/387676183.db2.gz WVUHCWGNUKQLNW-LBPRGKRZSA-N 0 3 247.302 0.132 20 0 BCADHN COC[C@H](O)CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000126239821 387676370 /nfs/dbraw/zinc/67/63/70/387676370.db2.gz FGBZSJFPLSDJCX-WDEREUQCSA-N 0 3 239.319 0.596 20 0 BCADHN CCn1nncc1CN[C@H]1CN(C)C[C@H]1C ZINC000527729583 387679408 /nfs/dbraw/zinc/67/94/08/387679408.db2.gz ZNHUPAXAHQNSAU-KOLCDFICSA-N 0 3 223.324 0.338 20 0 BCADHN COC(=O)CC1(CN2CCN(C)C[C@@H]2C)CC1 ZINC000440714646 387680355 /nfs/dbraw/zinc/68/03/55/387680355.db2.gz VEBMXVCDTLBLBH-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCC(C)(C)O ZINC000451930993 387681061 /nfs/dbraw/zinc/68/10/61/387681061.db2.gz AXYOPJKELYAIRC-RKDXNWHRSA-N 0 3 203.282 0.151 20 0 BCADHN Cn1nncc1CNCC[C@H]1CCCOC1 ZINC000527734958 387681644 /nfs/dbraw/zinc/68/16/44/387681644.db2.gz ARDCOJJWAVVPAM-SNVBAGLBSA-N 0 3 224.308 0.721 20 0 BCADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CC12CC2 ZINC000640320210 387682365 /nfs/dbraw/zinc/68/23/65/387682365.db2.gz MVSFUILRRGBBGH-QWRGUYRKSA-N 0 3 238.331 0.359 20 0 BCADHN Cn1nncc1CNCC[C@@H]1CCCOC1 ZINC000527734954 387682754 /nfs/dbraw/zinc/68/27/54/387682754.db2.gz ARDCOJJWAVVPAM-JTQLQIEISA-N 0 3 224.308 0.721 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCCC(=O)N(C)CC ZINC000451941506 387683088 /nfs/dbraw/zinc/68/30/88/387683088.db2.gz ZCWPTDMABPPSHB-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN COCCN(C)C(=O)NC[C@H](C)N(C)C ZINC000451940308 387683192 /nfs/dbraw/zinc/68/31/92/387683192.db2.gz XNZBUSHSJAIZAH-VIFPVBQESA-N 0 3 217.313 0.224 20 0 BCADHN C[C@@H](NC[C@H]1COCCO1)c1cnn(C)c1 ZINC000044499920 387683335 /nfs/dbraw/zinc/68/33/35/387683335.db2.gz JZHLHZZBSPQJKF-KOLCDFICSA-N 0 3 225.292 0.486 20 0 BCADHN Cc1cn2ccnc(C(=O)NCCN(C)C)c2n1 ZINC000431176233 387684512 /nfs/dbraw/zinc/68/45/12/387684512.db2.gz SUDLVFVNDQWVNV-UHFFFAOYSA-N 0 3 247.302 0.329 20 0 BCADHN Cc1cnn([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]3N)C2)c1 ZINC000424139077 387684814 /nfs/dbraw/zinc/68/48/14/387684814.db2.gz DWEIPBLJDXYPMM-TUAOUCFPSA-N 0 3 248.330 0.702 20 0 BCADHN COC[C@H](N[C@@H]1CCC(=O)N(C)C1=O)C1CC1 ZINC000126538189 387684974 /nfs/dbraw/zinc/68/49/74/387684974.db2.gz HUHFIRWSXDNTLT-ZJUUUORDSA-N 0 3 240.303 0.148 20 0 BCADHN CN1CCC(CC(=O)NC(C)(C)CCO)CC1 ZINC000362994593 387685250 /nfs/dbraw/zinc/68/52/50/387685250.db2.gz YCQHROKURLDYTJ-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@@H]1CC[C@H](C)O1 ZINC000451947514 387685698 /nfs/dbraw/zinc/68/56/98/387685698.db2.gz PGIIFGRIGOIVDE-NNYUYHANSA-N 0 3 229.320 0.947 20 0 BCADHN CCc1ccc([O-])c(C(=O)NCC[NH2+]C)c1 ZINC000422786514 387685972 /nfs/dbraw/zinc/68/59/72/387685972.db2.gz SJPDBPNOVWSCBA-UHFFFAOYSA-N 0 3 222.288 0.904 20 0 BCADHN O[C@@H](CNCc1ccncc1)[C@@H]1CCCO1 ZINC000527757344 387696466 /nfs/dbraw/zinc/69/64/66/387696466.db2.gz DNPXKWMEWNKMHU-RYUDHWBXSA-N 0 3 222.288 0.711 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CCC[C@]2(CCSC2)C1 ZINC000451986008 387690619 /nfs/dbraw/zinc/69/06/19/387690619.db2.gz XDBCMNIPMRMZKH-TUAOUCFPSA-N 0 3 243.372 0.965 20 0 BCADHN O=C1NC[C@H](CN2C[C@H]3CCCC[C@H]32)O1 ZINC000377723208 387743426 /nfs/dbraw/zinc/74/34/26/387743426.db2.gz MNKYTDNDTAJRIU-OPRDCNLKSA-N 0 3 210.277 0.969 20 0 BCADHN O=C1NC[C@H]2CN(Cc3cccnc3)CC[C@H]12 ZINC000377718595 387743886 /nfs/dbraw/zinc/74/38/86/387743886.db2.gz DNIQMDNDNFMPBF-RYUDHWBXSA-N 0 3 231.299 0.650 20 0 BCADHN CO[C@H]1CCC[C@@H](C(=O)NCCN(C)C)C1 ZINC000432045480 387745668 /nfs/dbraw/zinc/74/56/68/387745668.db2.gz IMJPFTSDVKSNNF-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN Cc1ccc(O)c(CN[C@H]2C(=O)NCC[C@H]2C)n1 ZINC000441338496 387747496 /nfs/dbraw/zinc/74/74/96/387747496.db2.gz FMFTUVPQOSMXSU-PRHODGIISA-N 0 3 249.314 0.710 20 0 BCADHN C[C@H]1CN(CCO)CCN1CC1CCC1 ZINC000452122739 387747964 /nfs/dbraw/zinc/74/79/64/387747964.db2.gz USJUZAAFSWXSCN-NSHDSACASA-N 0 3 212.337 0.785 20 0 BCADHN Cc1ccc(O)c(CN[C@@H]2C(=O)NCC[C@@H]2C)n1 ZINC000441338499 387748133 /nfs/dbraw/zinc/74/81/33/387748133.db2.gz FMFTUVPQOSMXSU-UFBFGSQYSA-N 0 3 249.314 0.710 20 0 BCADHN CC(C(=O)N1C[C@H]2CCCC[C@H]21)S(C)(=O)=O ZINC000367745372 387749539 /nfs/dbraw/zinc/74/95/39/387749539.db2.gz DUPDWGJRTDLBJI-OPRDCNLKSA-N 0 3 245.344 0.821 20 0 BCADHN CC1(C)CN(C[C@@H]2COCCO2)[C@@H]2COC[C@@H]21 ZINC000452121563 387750819 /nfs/dbraw/zinc/75/08/19/387750819.db2.gz SWVIPLIIXAYZJK-GRYCIOLGSA-N 0 3 241.331 0.759 20 0 BCADHN COC[C@@](C)(CC(=O)OC)NCCOC(C)C ZINC000123421355 387697597 /nfs/dbraw/zinc/69/75/97/387697597.db2.gz WUAKLKQEXPFVSL-GFCCVEGCSA-N 0 3 247.335 0.969 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H](O)[C@@H]1CCCO1 ZINC000527759296 387698177 /nfs/dbraw/zinc/69/81/77/387698177.db2.gz SLDUISDMFSNEDO-NEPJUHHUSA-N 0 3 239.319 0.358 20 0 BCADHN O[C@H](CNCc1cc[nH]c1)[C@H]1CCCO1 ZINC000527760190 387698854 /nfs/dbraw/zinc/69/88/54/387698854.db2.gz WSPQABBTOUIZKA-GHMZBOCLSA-N 0 3 210.277 0.644 20 0 BCADHN C[C@@H](O)CCN1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452008173 387699133 /nfs/dbraw/zinc/69/91/33/387699133.db2.gz IDVHYOCDSBEDBN-GHMZBOCLSA-N 0 3 243.351 0.493 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000356683849 387700584 /nfs/dbraw/zinc/70/05/84/387700584.db2.gz YDWXIFOARCWECF-OPRDCNLKSA-N 0 3 212.293 0.089 20 0 BCADHN CSCCCN1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000377224940 387701074 /nfs/dbraw/zinc/70/10/74/387701074.db2.gz OYOVLJVBCHLGFU-ZJUUUORDSA-N 0 3 244.360 0.329 20 0 BCADHN Cc1ccc(CNC[C@@H]2CN(C)CCN2C)nc1 ZINC000127029403 387703655 /nfs/dbraw/zinc/70/36/55/387703655.db2.gz YOSXIQLWUCXBJQ-CQSZACIVSA-N 0 3 248.374 0.725 20 0 BCADHN COC[C@@H]1CCCCN1CC(=O)N(C)C ZINC000452029848 387706021 /nfs/dbraw/zinc/70/60/21/387706021.db2.gz LBWOHXMIRMSUAE-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CN(C)[C@@H]1CCCN(CCS(C)(=O)=O)CC1 ZINC000377262939 387707623 /nfs/dbraw/zinc/70/76/23/387707623.db2.gz TWWGCFYBSQKXHT-LLVKDONJSA-N 0 3 248.392 0.447 20 0 BCADHN CC[C@H](N[C@@H](C)CC(N)=O)c1cnn(C)c1 ZINC000127191653 387709758 /nfs/dbraw/zinc/70/97/58/387709758.db2.gz OHPZSGKODPDKJL-WPRPVWTQSA-N 0 3 224.308 0.725 20 0 BCADHN O=C(CN1CCC[C@@H]1[C@H]1CCCO1)NC1CC1 ZINC000367463894 387711052 /nfs/dbraw/zinc/71/10/52/387711052.db2.gz OWAXVPGUBBKKJQ-VXGBXAGGSA-N 0 3 238.331 0.908 20 0 BCADHN CN(C)c1ncc(CNCC23CC(C2)CO3)cn1 ZINC000527787142 387711924 /nfs/dbraw/zinc/71/19/24/387711924.db2.gz GKZWICHXCIZGJM-UHFFFAOYSA-N 0 3 248.330 0.811 20 0 BCADHN Cc1nnc(N2C[C@H]3CN(C)C[C@H]3C2)o1 ZINC000367455710 387712071 /nfs/dbraw/zinc/71/20/71/387712071.db2.gz JQLVXYUKDOZJOK-DTORHVGOSA-N 0 3 208.265 0.376 20 0 BCADHN Cn1cncc1CNCC12CC(C1)CO2 ZINC000527788268 387715027 /nfs/dbraw/zinc/71/50/27/387715027.db2.gz KWSCZUYLDLPVGL-UHFFFAOYSA-N 0 3 207.277 0.689 20 0 BCADHN CC(C)N1CC[C@H](N2C[C@H](C)C[C@@H](O)C2)C1=O ZINC000452064504 387718326 /nfs/dbraw/zinc/71/83/26/387718326.db2.gz FNDSGGBIUNEWQF-UTUOFQBUSA-N 0 3 240.347 0.698 20 0 BCADHN O=C(CC1CC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377476287 387718870 /nfs/dbraw/zinc/71/88/70/387718870.db2.gz OJYDBIKPMFIMLP-NEPJUHHUSA-N 0 3 238.331 0.766 20 0 BCADHN CCO[C@H]1C[C@@H]1C(=O)N1CCCN(CC)CC1 ZINC000377474848 387719043 /nfs/dbraw/zinc/71/90/43/387719043.db2.gz CJEXZZFRDOHUKH-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CSC1(C(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000356780876 387719658 /nfs/dbraw/zinc/71/96/58/387719658.db2.gz NPTQASKSZIVOHN-SNVBAGLBSA-N 0 3 244.360 0.065 20 0 BCADHN CN(C)CCNC(=O)c1cnn2ccncc12 ZINC000431618743 387722530 /nfs/dbraw/zinc/72/25/30/387722530.db2.gz DKUUECFSNCBGIK-UHFFFAOYSA-N 0 3 233.275 0.021 20 0 BCADHN C[C@H]1C[C@@H](O)CN(CCOCC(F)F)C1 ZINC000452071976 387725566 /nfs/dbraw/zinc/72/55/66/387725566.db2.gz SSEJKCRKGZVPRU-DTWKUNHWSA-N 0 3 223.263 0.971 20 0 BCADHN CC(C)(C)C[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC000452070009 387726069 /nfs/dbraw/zinc/72/60/69/387726069.db2.gz FREHGJARVCSACT-VIFPVBQESA-N 0 3 241.335 0.939 20 0 BCADHN COC(=O)[C@H](C)CN1CCOCC2(CC2)C1 ZINC000367559712 387726721 /nfs/dbraw/zinc/72/67/21/387726721.db2.gz OWTAAAVKYFNKER-SNVBAGLBSA-N 0 3 227.304 0.908 20 0 BCADHN CCN(CCNC(=O)C[S@](=O)CC)C1CC1 ZINC000431767948 387730894 /nfs/dbraw/zinc/73/08/94/387730894.db2.gz HZKFCBXWEUZUHM-MRXNPFEDSA-N 0 3 246.376 0.356 20 0 BCADHN CCCCN1CCOC[C@H]1CC(N)=O ZINC000452083431 387732743 /nfs/dbraw/zinc/73/27/43/387732743.db2.gz LOIKHJIOEGELBX-SECBINFHSA-N 0 3 200.282 0.363 20 0 BCADHN Cc1noc(C)c1CN1CC[C@H](CC(N)=O)C1 ZINC000377609355 387733695 /nfs/dbraw/zinc/73/36/95/387733695.db2.gz YSAXHFVLMCBFNV-SNVBAGLBSA-N 0 3 237.303 0.989 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]CC2COC2)n1 ZINC000527816362 387734860 /nfs/dbraw/zinc/73/48/60/387734860.db2.gz BOPWRRAEIJHYMU-UHFFFAOYSA-N 0 3 208.261 0.832 20 0 BCADHN O=C1NC[C@H]2CN(CCc3cccnc3)CC[C@H]12 ZINC000377646991 387735426 /nfs/dbraw/zinc/73/54/26/387735426.db2.gz SHSJLHRKRBKBTQ-STQMWFEESA-N 0 3 245.326 0.692 20 0 BCADHN COC[C@H]1CCCN(CC(=O)N(C)C)CC1 ZINC000452098781 387736360 /nfs/dbraw/zinc/73/63/60/387736360.db2.gz ZXFRGGXWSMVMFV-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN CC(C)CN(CC[C@@H]1CCCO1)CC(N)=O ZINC000188721654 387736976 /nfs/dbraw/zinc/73/69/76/387736976.db2.gz KTEYXRMBWQZWBH-NSHDSACASA-N 0 3 228.336 0.999 20 0 BCADHN CCN(CC)[C@@H](C)CNC(=O)C[S@](=O)CC ZINC000431908070 387737333 /nfs/dbraw/zinc/73/73/33/387737333.db2.gz XITHBXRIPLSVMO-MGPLVRAMSA-N 0 3 248.392 0.602 20 0 BCADHN CN(C)CCN(C(=O)[C@H]1CCOC1)C1CC1 ZINC000356878224 387739732 /nfs/dbraw/zinc/73/97/32/387739732.db2.gz GKFJWFCNXRKFAM-JTQLQIEISA-N 0 3 226.320 0.576 20 0 BCADHN CCO[C@H](C)C(=O)N(CCN(C)C)C1CC1 ZINC000356890460 387740077 /nfs/dbraw/zinc/74/00/77/387740077.db2.gz CXIUUEALPSCTGA-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN O=C1C[C@H]2CC[C@@H](C1)N2CCOCCO ZINC000367657123 387741231 /nfs/dbraw/zinc/74/12/31/387741231.db2.gz GSMATVWFPXMTLQ-AOOOYVTPSA-N 0 3 213.277 0.191 20 0 BCADHN CSCCN(C)CCNC(=O)NC(C)C ZINC000520803767 387766069 /nfs/dbraw/zinc/76/60/69/387766069.db2.gz ODJMCJQMSFZAEP-UHFFFAOYSA-N 0 3 233.381 0.989 20 0 BCADHN C[C@H](O)CCNC(=O)C1(N)Cc2ccccc2C1 ZINC000378214746 387771552 /nfs/dbraw/zinc/77/15/52/387771552.db2.gz LIXGVILIOIJLDQ-JTQLQIEISA-N 0 3 248.326 0.370 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](F)C1 ZINC000452373025 387812560 /nfs/dbraw/zinc/81/25/60/387812560.db2.gz JUQMWUZEGARCFQ-VIFPVBQESA-N 0 3 202.273 0.899 20 0 BCADHN CCN(C(=O)[C@@]1(F)CCNC1)C(C)C ZINC000150941945 387785312 /nfs/dbraw/zinc/78/53/12/387785312.db2.gz ANNZSWLPWVTKBT-SNVBAGLBSA-N 0 3 202.273 0.945 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@H](O)[C@@H]1CCCO1 ZINC000527958196 387785182 /nfs/dbraw/zinc/78/51/82/387785182.db2.gz VDSRLOVXJJBOLE-UWJYBYFXSA-N 0 3 239.319 0.909 20 0 BCADHN CCn1nccc1NC(=O)[C@H](N)C1CCC1 ZINC000422945535 387785644 /nfs/dbraw/zinc/78/56/44/387785644.db2.gz UROOFYGZAAWXSG-SNVBAGLBSA-N 0 3 222.292 0.969 20 0 BCADHN C[C@H]1C[C@H](NC(=O)N(C)CCCO)CCN1C ZINC000442136684 387790193 /nfs/dbraw/zinc/79/01/93/387790193.db2.gz ZJYHVMXSFLABEO-WDEREUQCSA-N 0 3 243.351 0.493 20 0 BCADHN COc1ccncc1NC(=O)[C@@H]1C[C@@H]1N ZINC000424151671 387792701 /nfs/dbraw/zinc/79/27/01/387792701.db2.gz HLVHNOAOKZTXPI-RQJHMYQMSA-N 0 3 207.233 0.376 20 0 BCADHN CCc1cnc(CCNC(=O)[C@@H]2C[C@@H]2N)s1 ZINC000424149809 387792981 /nfs/dbraw/zinc/79/29/81/387792981.db2.gz XJESTINCHZXBGP-BDAKNGLRSA-N 0 3 239.344 0.711 20 0 BCADHN CC[C@H](C(=O)NCCC1CC(O)C1)N(C)C ZINC000432454937 387794117 /nfs/dbraw/zinc/79/41/17/387794117.db2.gz IEALXYLJLVNNCK-VQXHTEKXSA-N 0 3 228.336 0.604 20 0 BCADHN COC[C@H](NC(=O)N(C)CCN(C)C)C1CC1 ZINC000442287308 387794772 /nfs/dbraw/zinc/79/47/72/387794772.db2.gz AVTPTGHUNYGXTP-NSHDSACASA-N 0 3 243.351 0.614 20 0 BCADHN COCC1(C)CN(C[C@@H](O)COCC(C)C)C1 ZINC000432752305 387812967 /nfs/dbraw/zinc/81/29/67/387812967.db2.gz KTALEVPEPBHIDG-GFCCVEGCSA-N 0 3 245.363 0.988 20 0 BCADHN CSCC[C@@H](N)C(=O)Nc1nc(C)c[nH]1 ZINC000157432297 387796292 /nfs/dbraw/zinc/79/62/92/387796292.db2.gz JHHJCHGICKFEIJ-SSDOTTSWSA-N 0 3 228.321 0.737 20 0 BCADHN CO[C@H](C)CN[C@@H]1C(=O)NCC[C@H]1C ZINC000193600684 387798274 /nfs/dbraw/zinc/79/82/74/387798274.db2.gz FJRPQMXCMRRMJB-HLTSFMKQSA-N 0 3 200.282 0.136 20 0 BCADHN COC[C@H](C)CNC(=O)[C@H](N)CCSC ZINC000163606861 387798357 /nfs/dbraw/zinc/79/83/57/387798357.db2.gz CTNJFBAPGOVWHC-RKDXNWHRSA-N 0 3 234.365 0.466 20 0 BCADHN CCOCC1(C(=O)NCCN(C)C)CC1 ZINC000442421327 387798952 /nfs/dbraw/zinc/79/89/52/387798952.db2.gz DZKMLYMULBWLQB-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN NC(=O)N[C@@H]1CCN(CCC[C@H]2CCOC2)C1 ZINC000645842725 387799066 /nfs/dbraw/zinc/79/90/66/387799066.db2.gz MAJYFSGOBGUVTO-WDEREUQCSA-N 0 3 241.335 0.546 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@H](N)CCSC ZINC000163606743 387799156 /nfs/dbraw/zinc/79/91/56/387799156.db2.gz CTNJFBAPGOVWHC-DTWKUNHWSA-N 0 3 234.365 0.466 20 0 BCADHN CNC(=O)CCCN1CCN(CC(C)C)CC1 ZINC000564035646 387804175 /nfs/dbraw/zinc/80/41/75/387804175.db2.gz WTIUVDDVOPNVBM-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN CC(C)O[C@@]1(C)C[C@H]1N[C@@H](C)CC(N)=O ZINC000527996171 387805901 /nfs/dbraw/zinc/80/59/01/387805901.db2.gz CPDFYMXDYYFMGC-NGZCFLSTSA-N 0 3 214.309 0.796 20 0 BCADHN C[C@H](NC[C@H](O)[C@@H]1CCCO1)c1cn[nH]c1 ZINC000527959819 387810234 /nfs/dbraw/zinc/81/02/34/387810234.db2.gz ZARJKMYFDIAZMY-LSJOCFKGSA-N 0 3 225.292 0.600 20 0 BCADHN O=C(N[C@@H]1CCCN(CCCO)C1)C1CCC1 ZINC000452377017 387811274 /nfs/dbraw/zinc/81/12/74/387811274.db2.gz QDDYTIKIVLDMMJ-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN CC(=O)NCCCN1CCN(C)[C@H](C)[C@H]1C ZINC000356981037 387758807 /nfs/dbraw/zinc/75/88/07/387758807.db2.gz FRKNNPJJULRPPE-GHMZBOCLSA-N 0 3 227.352 0.537 20 0 BCADHN CC(C)[C@H](O)CN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000432787435 387820056 /nfs/dbraw/zinc/82/00/56/387820056.db2.gz SHBLYKREKUJLKB-OUAUKWLOSA-N 0 3 228.336 0.589 20 0 BCADHN CC[C@H](C)CNC(=O)C(=O)N1CCC[C@H]1CN ZINC000422973687 387823659 /nfs/dbraw/zinc/82/36/59/387823659.db2.gz PKLOQILWYSHFQT-UWVGGRQHSA-N 0 3 241.335 0.098 20 0 BCADHN CNC(=O)N[C@H]1CCN(C[C@H](O)C(C)C)C1 ZINC000432805142 387825881 /nfs/dbraw/zinc/82/58/81/387825881.db2.gz LDHRPRGFVKMRKL-UWVGGRQHSA-N 0 3 229.324 0.007 20 0 BCADHN CC(C)[C@H](O)CN1CCN(C[C@H](C)O)CC1 ZINC000432807552 387826135 /nfs/dbraw/zinc/82/61/35/387826135.db2.gz XAPPAIIJGJFNNP-NWDGAFQWSA-N 0 3 230.352 0.002 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1nc(C2CC2)cs1 ZINC000424157037 387826349 /nfs/dbraw/zinc/82/63/49/387826349.db2.gz QIRCPJFONHVLPL-JGVFFNPUSA-N 0 3 237.328 0.984 20 0 BCADHN C[C@@H](N)C(=O)N1CCOC2(CCCC2)C1 ZINC000157543274 387832931 /nfs/dbraw/zinc/83/29/31/387832931.db2.gz FGXXEILCGLKPEO-SECBINFHSA-N 0 3 212.293 0.505 20 0 BCADHN COCCNCCNC(=O)[C@H]1CCC[C@H](F)C1 ZINC000424160890 387840286 /nfs/dbraw/zinc/84/02/86/387840286.db2.gz XOKGKBCOAWQEHA-QWRGUYRKSA-N 0 3 246.326 0.867 20 0 BCADHN Cc1ncc(CN[C@H]2CCC[C@H]2C[NH3+])c(=O)[n-]1 ZINC000423026109 387842942 /nfs/dbraw/zinc/84/29/42/387842942.db2.gz ALTCIUBREJFWKF-ONGXEEELSA-N 0 3 236.319 0.708 20 0 BCADHN CSCC[C@@H](N)C(=O)Nc1nnc(C)s1 ZINC000163660736 387843403 /nfs/dbraw/zinc/84/34/03/387843403.db2.gz IJRLVGHTFBHCHV-ZCFIWIBFSA-N 0 3 246.361 0.865 20 0 BCADHN CN(C)c1ccc(NC(=O)[C@@H]2C[C@@H]2N)nc1 ZINC000424161909 387844260 /nfs/dbraw/zinc/84/42/60/387844260.db2.gz WIPKBFQJXKKQIF-BDAKNGLRSA-N 0 3 220.276 0.433 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)CCCCO ZINC000452505184 387844142 /nfs/dbraw/zinc/84/41/42/387844142.db2.gz XEEXGONLYAYDHP-LLVKDONJSA-N 0 3 230.352 0.994 20 0 BCADHN Cn1cc([C@H]2CCCN2C(=O)[C@@H]2C[C@@H]2N)cn1 ZINC000424161764 387844871 /nfs/dbraw/zinc/84/48/71/387844871.db2.gz WBZPISQZIQTBDN-OUAUKWLOSA-N 0 3 234.303 0.431 20 0 BCADHN Cc1ncc(CN[C@H](C)[C@@H]2CCC[NH2+]2)c(=O)[n-]1 ZINC000423031213 387846807 /nfs/dbraw/zinc/84/68/07/387846807.db2.gz KTIDKDLRQPSYGQ-KCJUWKMLSA-N 0 3 236.319 0.721 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000424164902 387848533 /nfs/dbraw/zinc/84/85/33/387848533.db2.gz AKXKCUTWCYODRO-WRWGMCAJSA-N 0 3 240.347 0.781 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc2nncn2c1 ZINC000424164942 387848660 /nfs/dbraw/zinc/84/86/60/387848660.db2.gz AORBRWCKNNRCEH-JGVFFNPUSA-N 0 3 217.232 0.015 20 0 BCADHN CNC(=O)C[C@H](C)N[C@H](COC)[C@@H]1CCCO1 ZINC000433007722 387848952 /nfs/dbraw/zinc/84/89/52/387848952.db2.gz MGGZPHPIVVWMMY-AXFHLTTASA-N 0 3 244.335 0.295 20 0 BCADHN Cc1ncc(CN[C@@H]2C[NH2+]CC[C@H]2C)c(=O)[n-]1 ZINC000423035635 387851434 /nfs/dbraw/zinc/85/14/34/387851434.db2.gz SCWCSRVFZCLXQQ-LDYMZIIASA-N 0 3 236.319 0.578 20 0 BCADHN CCn1cccc(CN[C@@H](C)CC(N)=O)c1=O ZINC000433054656 387857042 /nfs/dbraw/zinc/85/70/42/387857042.db2.gz TVGMFDHBAALMLQ-VIFPVBQESA-N 0 3 237.303 0.222 20 0 BCADHN CC(=O)Nc1ccc(CN[C@@H]2CCOC2)cn1 ZINC000433058726 387857979 /nfs/dbraw/zinc/85/79/79/387857979.db2.gz RAKXQKUNVORFMO-LLVKDONJSA-N 0 3 235.287 0.919 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)n1 ZINC000235893637 387867143 /nfs/dbraw/zinc/86/71/43/387867143.db2.gz RBZBTIGEBBDWTG-CYBMUJFWSA-N 0 3 249.314 0.793 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2CC[C@@](C)(C(N)=O)C2)n1 ZINC000235893637 387867148 /nfs/dbraw/zinc/86/71/48/387867148.db2.gz RBZBTIGEBBDWTG-CYBMUJFWSA-N 0 3 249.314 0.793 20 0 BCADHN C[C@H]1COCC[C@@H]1NCC(=O)Nc1ccncc1 ZINC000433134130 387868796 /nfs/dbraw/zinc/86/87/96/387868796.db2.gz JUXLAROMIADIGO-JQWIXIFHSA-N 0 3 249.314 0.457 20 0 BCADHN CCCN(C)CC(=O)N(C1CC1)C1COC1 ZINC000452599380 387869081 /nfs/dbraw/zinc/86/90/81/387869081.db2.gz UJSAYMBJEUVGRT-UHFFFAOYSA-N 0 3 226.320 0.718 20 0 BCADHN CO[C@@H](C)CN(C)[C@H](CO)COC(C)C ZINC000433151489 387870909 /nfs/dbraw/zinc/87/09/09/387870909.db2.gz NUDNNSOKFGPFFF-WDEREUQCSA-N 0 3 219.325 0.739 20 0 BCADHN COC(=O)CCCN(C)[C@H](CO)COC(C)C ZINC000433149606 387871437 /nfs/dbraw/zinc/87/14/37/387871437.db2.gz UJWZGGYCVCFECN-LLVKDONJSA-N 0 3 247.335 0.657 20 0 BCADHN CO[C@@H](C)CN(C)[C@@H](CO)COC(C)C ZINC000433151488 387871517 /nfs/dbraw/zinc/87/15/17/387871517.db2.gz NUDNNSOKFGPFFF-QWRGUYRKSA-N 0 3 219.325 0.739 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@H](N)[C@@H](C)CC ZINC000162329796 387871843 /nfs/dbraw/zinc/87/18/43/387871843.db2.gz WQTUJPPDTHKDQW-LPEHRKFASA-N 0 3 216.325 0.637 20 0 BCADHN C[C@H](NCC[C@@H]1CCOC1)c1ncnn1C ZINC000309514708 387814209 /nfs/dbraw/zinc/81/42/09/387814209.db2.gz YIAKLWMZAWPRIG-VHSXEESVSA-N 0 3 224.308 0.892 20 0 BCADHN CC1(CN2CCC[C@@H]2CS(N)(=O)=O)CCC1 ZINC000432773166 387814672 /nfs/dbraw/zinc/81/46/72/387814672.db2.gz CDCGQGNRXHOADU-SNVBAGLBSA-N 0 3 246.376 0.930 20 0 BCADHN CCC[C@@](C)(O)C(=O)NCCN1CCCC1 ZINC000432759401 387814931 /nfs/dbraw/zinc/81/49/31/387814931.db2.gz RTKFTBCVXGAXCX-GFCCVEGCSA-N 0 3 228.336 0.750 20 0 BCADHN CN(C)CC(=O)N1CCC[C@@H]1CN(C)C ZINC000442654367 387815280 /nfs/dbraw/zinc/81/52/80/387815280.db2.gz QUBULAHKXSAMIW-SNVBAGLBSA-N 0 3 213.325 0.101 20 0 BCADHN COC[C@](C)(CC(=O)OC)NC[C@@H](O)C(C)C ZINC000432781890 387818085 /nfs/dbraw/zinc/81/80/85/387818085.db2.gz QFNOAFCKDUHXNO-PWSUYJOCSA-N 0 3 247.335 0.561 20 0 BCADHN O=C(CN[C@H]1CCO[C@H]1C1CC1)NC1CC1 ZINC000236391571 387889561 /nfs/dbraw/zinc/88/95/61/387889561.db2.gz WIGODVJUDWUJCT-JQWIXIFHSA-N 0 3 224.304 0.422 20 0 BCADHN CCOC(=O)CC[C@H](C)NC(=O)[C@@H](C)N ZINC000158068476 387891052 /nfs/dbraw/zinc/89/10/52/387891052.db2.gz UBOPACASHKPYNQ-JGVFFNPUSA-N 0 3 216.281 0.182 20 0 BCADHN CCOCC[C@H](O)CN(C)[C@@H]1CCOC1 ZINC000444624824 387893551 /nfs/dbraw/zinc/89/35/51/387893551.db2.gz GDQZYJWCSFPZQN-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@H](O)[C@H]1C ZINC000452714305 387893518 /nfs/dbraw/zinc/89/35/18/387893518.db2.gz NJMQVKSWVNQXPI-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN CCCC(=O)NCC(=O)NC[C@H]1CCCN1C ZINC000194705018 387893584 /nfs/dbraw/zinc/89/35/84/387893584.db2.gz ROJHCGQNOZKCHQ-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN COC[C@H](O)CCNCc1c[nH]nc1C ZINC000153782939 387894037 /nfs/dbraw/zinc/89/40/37/387894037.db2.gz ULMYMXGDGLUAED-SNVBAGLBSA-N 0 3 213.281 0.205 20 0 BCADHN COC1CCN(C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528336877 387894657 /nfs/dbraw/zinc/89/46/57/387894657.db2.gz IVSCPSGADCJIKY-NSHDSACASA-N 0 3 243.347 0.763 20 0 BCADHN COCCNCC(=O)N(C(C)C)C1CC1 ZINC000151828645 387878577 /nfs/dbraw/zinc/87/85/77/387878577.db2.gz QZUKMLDOWUAMGK-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN Cn1cc(NC(=O)[C@]2(F)CCNC2)cn1 ZINC000151843673 387879544 /nfs/dbraw/zinc/87/95/44/387879544.db2.gz YAKKOBHURSWWAH-VIFPVBQESA-N 0 3 212.228 0.060 20 0 BCADHN COCCNCCNC(=O)CC[C@@H]1CCOC1 ZINC000152196441 387881556 /nfs/dbraw/zinc/88/15/56/387881556.db2.gz FKPNGEBPLURENU-LLVKDONJSA-N 0 3 244.335 0.155 20 0 BCADHN COCCNCCNC(=O)CC[C@H]1CCOC1 ZINC000152196552 387882176 /nfs/dbraw/zinc/88/21/76/387882176.db2.gz FKPNGEBPLURENU-NSHDSACASA-N 0 3 244.335 0.155 20 0 BCADHN CC(C)n1cncc1CN[C@H](CO)[C@@H](C)O ZINC000424175801 387884816 /nfs/dbraw/zinc/88/48/16/387884816.db2.gz QRIWWDNJUYEVKV-MWLCHTKSSA-N 0 3 227.308 0.295 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)C1CCC1 ZINC000152604694 387885980 /nfs/dbraw/zinc/88/59/80/387885980.db2.gz KACUIWWUAHCHBN-LLVKDONJSA-N 0 3 214.309 0.215 20 0 BCADHN COCCNCC(=O)NC1CCSCC1 ZINC000158060659 387889064 /nfs/dbraw/zinc/88/90/64/387889064.db2.gz SNHHJKCIQKLNCX-UHFFFAOYSA-N 0 3 232.349 0.234 20 0 BCADHN O=C(C1CCOCC1)N1CCN2CCC[C@H]2C1 ZINC000195318011 387918107 /nfs/dbraw/zinc/91/81/07/387918107.db2.gz SMGIKSRTIPBPBV-LBPRGKRZSA-N 0 3 238.331 0.720 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@@H]1NC1CC(C)(F)C1 ZINC000423142329 387918134 /nfs/dbraw/zinc/91/81/34/387918134.db2.gz ABAZXMHWEMJMRG-QLWZBITOSA-N 0 3 244.310 0.760 20 0 BCADHN CCOCC[C@H](O)CN1CC[C@H](OC)C1 ZINC000444641200 387899549 /nfs/dbraw/zinc/89/95/49/387899549.db2.gz PBJKCPGNDDTPBM-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1COc2ccccc2C1 ZINC000154547768 387899799 /nfs/dbraw/zinc/89/97/99/387899799.db2.gz IQZHLMNFUOLGDS-PSASIEDQSA-N 0 3 220.272 0.454 20 0 BCADHN O=C(NCC1COC1)N1CCN2CCC1CC2 ZINC000528305921 387899897 /nfs/dbraw/zinc/89/98/97/387899897.db2.gz FGDXITHSGTZTIW-UHFFFAOYSA-N 0 3 239.319 0.122 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)NCC1COC1 ZINC000528310009 387901823 /nfs/dbraw/zinc/90/18/23/387901823.db2.gz YMCOATIXRLVAGV-NSHDSACASA-N 0 3 241.335 0.368 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@@H]1CC[C@H](F)C1 ZINC000423123344 387902084 /nfs/dbraw/zinc/90/20/84/387902084.db2.gz LGBPRKOFDALGIO-ZRUFSTJUSA-N 0 3 244.310 0.760 20 0 BCADHN O[C@H](CN1CCC[C@H](O)C1)CC1(O)CCC1 ZINC000528345144 387903982 /nfs/dbraw/zinc/90/39/82/387903982.db2.gz PIFMLUCVMQDRIU-QWRGUYRKSA-N 0 3 229.320 0.109 20 0 BCADHN CCNC(=O)CN(C)CCC[C@@H]1CCOC1 ZINC000645778613 387905323 /nfs/dbraw/zinc/90/53/23/387905323.db2.gz FIXHBKKQAVILAF-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CCOCC[C@H](O)CN1C[C@H](C)N(C)C[C@@H]1C ZINC000444678560 387905506 /nfs/dbraw/zinc/90/55/06/387905506.db2.gz ZFGYQIWHNIQJAP-AVGNSLFASA-N 0 3 244.379 0.798 20 0 BCADHN CCOCC[C@H](O)CN1CC[C@H](O)C(C)(C)C1 ZINC000444676363 387906982 /nfs/dbraw/zinc/90/69/82/387906982.db2.gz ULDXYNSBEKRKDL-RYUDHWBXSA-N 0 3 245.363 0.867 20 0 BCADHN O=C(Nc1ccc2c(c1)CNC2)[C@H]1COCCN1 ZINC000424188010 387907458 /nfs/dbraw/zinc/90/74/58/387907458.db2.gz JDSVDEFBOOVHNX-GFCCVEGCSA-N 0 3 247.298 0.217 20 0 BCADHN CCOCC[C@H](O)CN1CCOCC2(CC2)C1 ZINC000444687279 387908030 /nfs/dbraw/zinc/90/80/30/387908030.db2.gz GDNNGBCKKFWAAP-LBPRGKRZSA-N 0 3 243.347 0.886 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NCC[C@@H](C)F ZINC000423132639 387910172 /nfs/dbraw/zinc/91/01/72/387910172.db2.gz JPBORHQTHXSFQI-OPRDCNLKSA-N 0 3 232.299 0.618 20 0 BCADHN CC(C)CSCCCN1C[C@@H](O)[C@H](O)C1 ZINC000444694148 387911440 /nfs/dbraw/zinc/91/14/40/387911440.db2.gz JJBVCFDLFGUKSA-GHMZBOCLSA-N 0 3 233.377 0.803 20 0 BCADHN O[C@H]1CN(CCCc2ccsc2)C[C@@H]1O ZINC000444696836 387912335 /nfs/dbraw/zinc/91/23/35/387912335.db2.gz JFMFZEGZRAMWTR-QWRGUYRKSA-N 0 3 227.329 0.718 20 0 BCADHN C[C@H]1C[C@H](C)N(CC(=O)N2CCNC2=O)C1 ZINC000532973406 387915453 /nfs/dbraw/zinc/91/54/53/387915453.db2.gz ZXFYSIOMZVKYDC-IUCAKERBSA-N 0 3 225.292 0.269 20 0 BCADHN C[C@@H]1C[C@H](C)N(CC(=O)N2CCNC2=O)C1 ZINC000532973404 387916153 /nfs/dbraw/zinc/91/61/53/387916153.db2.gz ZXFYSIOMZVKYDC-BDAKNGLRSA-N 0 3 225.292 0.269 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H](C)[C@@H](C)OC ZINC000423141602 387917554 /nfs/dbraw/zinc/91/75/54/387917554.db2.gz QUYAUZYIEHRYEF-CHWFTXMASA-N 0 3 244.335 0.293 20 0 BCADHN CCc1ncc(NC(=O)[C@H]2CCN(C)C2)cn1 ZINC000533013378 387917722 /nfs/dbraw/zinc/91/77/22/387917722.db2.gz BGIHPAYRUZSILI-VIFPVBQESA-N 0 3 234.303 0.929 20 0 BCADHN NC1(C(=O)NCCc2ccc3c(c2)CCO3)CC1 ZINC000237918591 387929345 /nfs/dbraw/zinc/92/93/45/387929345.db2.gz VLUOTXJLNXLAFI-UHFFFAOYSA-N 0 3 246.310 0.772 20 0 BCADHN O=S(=O)(Cc1cccc(F)c1)NC1CNC1 ZINC000237791854 387929761 /nfs/dbraw/zinc/92/97/61/387929761.db2.gz OOKCHSUBHWIVNN-UHFFFAOYSA-N 0 3 244.291 0.217 20 0 BCADHN O=C(CNC[C@H]1CCCO1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000424211430 387931873 /nfs/dbraw/zinc/93/18/73/387931873.db2.gz XTPPNINKZRPKKG-WRWGMCAJSA-N 0 3 238.331 0.670 20 0 BCADHN CCCCNC(=O)CCN1CCN(CC)CC1 ZINC000242500622 387937328 /nfs/dbraw/zinc/93/73/28/387937328.db2.gz BUBUZUVYLMRUNG-UHFFFAOYSA-N 0 3 241.379 0.930 20 0 BCADHN CC/C=C/CN[C@@H]1CCN[C@H]1C(=O)OCC ZINC000423152773 387933040 /nfs/dbraw/zinc/93/30/40/387933040.db2.gz FPBZYUOHZKXKTP-XIJCSBCJSA-N 0 3 226.320 0.836 20 0 BCADHN O=C(NCCN1CCCC1)[C@H]1CC1(F)F ZINC000448602582 387934905 /nfs/dbraw/zinc/93/49/05/387934905.db2.gz BHVGHISCPHUZHJ-MRVPVSSYSA-N 0 3 218.247 0.854 20 0 BCADHN O=C(NCCN1CCCC1)[C@@H]1CC1(F)F ZINC000448602584 387934913 /nfs/dbraw/zinc/93/49/13/387934913.db2.gz BHVGHISCPHUZHJ-QMMMGPOBSA-N 0 3 218.247 0.854 20 0 BCADHN CCOC[C@H](O)CN1CC[C@@H](OCCOC)C1 ZINC000444750537 387920351 /nfs/dbraw/zinc/92/03/51/387920351.db2.gz FIKPOBVCBGZJTB-VXGBXAGGSA-N 0 3 247.335 0.121 20 0 BCADHN O=C1NCCN1[C@@H]1CCCN(CCCCO)C1 ZINC000533032225 387921074 /nfs/dbraw/zinc/92/10/74/387921074.db2.gz HHNMSKFAJZYPIE-LLVKDONJSA-N 0 3 241.335 0.249 20 0 BCADHN C[C@H](NC(=O)[C@@H]1C[C@@H]1N)c1cncs1 ZINC000424196524 387922810 /nfs/dbraw/zinc/92/28/10/387922810.db2.gz ZWSJTEIUTJVCFC-XVMARJQXSA-N 0 3 211.290 0.668 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCCN(CC2CCC2)C1 ZINC000533061807 387923000 /nfs/dbraw/zinc/92/30/00/387923000.db2.gz YFEQPIWWQHZLKD-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN C[C@@H](COCc1ccccc1)NC(=O)CN ZINC000178157549 387924875 /nfs/dbraw/zinc/92/48/75/387924875.db2.gz NCWUYQXVGPHZFF-JTQLQIEISA-N 0 3 222.288 0.667 20 0 BCADHN CCNC(=O)[C@H](C)NC[C@@](C)(CC)OC ZINC000322647015 387952839 /nfs/dbraw/zinc/95/28/39/387952839.db2.gz VXVXODYEOYRRKF-GXSJLCMTSA-N 0 3 216.325 0.916 20 0 BCADHN CCC[C@H](O)CN(CCO)CCOC ZINC000450349233 387954298 /nfs/dbraw/zinc/95/42/98/387954298.db2.gz UJQJJPMTIKJPSA-JTQLQIEISA-N 0 3 205.298 0.088 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@](C)(OC)C1 ZINC000300303505 387955188 /nfs/dbraw/zinc/95/51/88/387955188.db2.gz LELXPHRQROHFDN-ONGXEEELSA-N 0 3 214.309 0.751 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CC(=O)N(CC)C1 ZINC000452993038 387955345 /nfs/dbraw/zinc/95/53/45/387955345.db2.gz OWQUSKRAKMNCMI-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CCS(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000445065650 387942142 /nfs/dbraw/zinc/94/21/42/387942142.db2.gz IUFYFTGTKVYWJY-UHFFFAOYSA-N 0 3 246.376 0.800 20 0 BCADHN Cc1cc(CN)cc(NC(=O)[C@@H]2COCCN2)c1 ZINC000424240975 387942120 /nfs/dbraw/zinc/94/21/20/387942120.db2.gz NQPRWASFBVBHRK-LBPRGKRZSA-N 0 3 249.314 0.381 20 0 BCADHN CCCNC(=O)CNC1CC(CC(=O)OC)C1 ZINC000424253466 387944771 /nfs/dbraw/zinc/94/47/71/387944771.db2.gz FVRXWPOPZUZJGT-UHFFFAOYSA-N 0 3 242.319 0.444 20 0 BCADHN CC[C@@](C)(CN[C@H]1CCS(=O)(=O)C1)OC ZINC000322622858 387945461 /nfs/dbraw/zinc/94/54/61/387945461.db2.gz OEMCTIQAYZDHGG-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc(CCO)cc1 ZINC000227373437 387956359 /nfs/dbraw/zinc/95/63/59/387956359.db2.gz REFVMOUTPAQLLC-LLVKDONJSA-N 0 3 238.287 0.134 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)N(C)C ZINC000452978143 387949135 /nfs/dbraw/zinc/94/91/35/387949135.db2.gz RTHMPBGPRQPRRN-QJPTWQEYSA-N 0 3 239.363 0.489 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452977405 387949749 /nfs/dbraw/zinc/94/97/49/387949749.db2.gz QLJHGQZPCKWWKP-FIQHERPVSA-N 0 3 238.331 0.574 20 0 BCADHN Cc1cncc(NC(=O)C[C@@H]2CNCCO2)c1 ZINC000226401004 387949943 /nfs/dbraw/zinc/94/99/43/387949943.db2.gz VTYXBAURVVFJPH-LLVKDONJSA-N 0 3 235.287 0.707 20 0 BCADHN O[C@@H](CN1CC[C@@H]1C1CC1)CN1CCOCC1 ZINC000453006594 387958497 /nfs/dbraw/zinc/95/84/97/387958497.db2.gz CHDINQOORAWVPH-CHWSQXEVSA-N 0 3 240.347 0.164 20 0 BCADHN CN(Cc1ccncc1)C(=O)COC1CNC1 ZINC000438930102 387964694 /nfs/dbraw/zinc/96/46/94/387964694.db2.gz JBGNPJBETBHJMT-UHFFFAOYSA-N 0 3 235.287 0.028 20 0 BCADHN O=C1NCCCC[C@H]1N1CC[C@@]2(CCOC2)C1 ZINC000245632617 387967768 /nfs/dbraw/zinc/96/77/68/387967768.db2.gz QOLMDHQGPDXEMX-DGCLKSJQSA-N 0 3 238.331 0.768 20 0 BCADHN CCCN(CC[C@H](C)O)CC(=O)NC ZINC000438981313 387969185 /nfs/dbraw/zinc/96/91/85/387969185.db2.gz WSIVGLPVRYGZNW-VIFPVBQESA-N 0 3 202.298 0.215 20 0 BCADHN C[C@@H](O)CCN(C)C1(C(N)=O)CCCC1 ZINC000438975386 387969588 /nfs/dbraw/zinc/96/95/88/387969588.db2.gz GLNBRFUEUAZOJO-SECBINFHSA-N 0 3 214.309 0.487 20 0 BCADHN CC(C)CN(CC[C@H](C)O)CC(N)=O ZINC000438988496 387970498 /nfs/dbraw/zinc/97/04/98/387970498.db2.gz WSDGAOYMBQEGEM-VIFPVBQESA-N 0 3 202.298 0.201 20 0 BCADHN C[S@@](=O)CCC(=O)N1CCN2CCC[C@H]2C1 ZINC000245733192 387978693 /nfs/dbraw/zinc/97/86/93/387978693.db2.gz ZHJCUDOYINDJEW-MGPLVRAMSA-N 0 3 244.360 0.062 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)NCCN(C)C)C[C@H](C)O1 ZINC000245729856 387979012 /nfs/dbraw/zinc/97/90/12/387979012.db2.gz JNZXZPDDVUZMGR-JGPRNRPPSA-N 0 3 228.336 0.868 20 0 BCADHN CC(C)COC[C@H](O)CN(C)[C@H](C)CO ZINC000245731062 387979448 /nfs/dbraw/zinc/97/94/48/387979448.db2.gz WAOBSSAJVGYYEW-GHMZBOCLSA-N 0 3 219.325 0.333 20 0 BCADHN C[C@@H](O)CCN1CCC[C@H]1C(=O)N(C)C ZINC000438991952 387972521 /nfs/dbraw/zinc/97/25/21/387972521.db2.gz FGUJSWKFVQUVGQ-ZJUUUORDSA-N 0 3 214.309 0.310 20 0 BCADHN O=C(NCCN1CCCCC1)N[C@@H]1CCOC1 ZINC000158968417 387976219 /nfs/dbraw/zinc/97/62/19/387976219.db2.gz YTSHVQZJPLJURM-LLVKDONJSA-N 0 3 241.335 0.560 20 0 BCADHN COC[C@@H]1CCCN1CCNC(=O)NC(C)C ZINC000645812126 387977599 /nfs/dbraw/zinc/97/75/99/387977599.db2.gz OHTOSKFCFZQVRC-NSHDSACASA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H]1CN(CCCNC(=O)N(C)C)CCCO1 ZINC000431553520 387977707 /nfs/dbraw/zinc/97/77/07/387977707.db2.gz SHHOCYNXXQABJP-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN Cn1ccnc1CNC[C@@H]1CCNCC1(F)F ZINC000424363719 387989441 /nfs/dbraw/zinc/98/94/41/387989441.db2.gz CAZBMBWQCSYRCP-VIFPVBQESA-N 0 3 244.289 0.755 20 0 BCADHN CC(C)NC(=O)CN(C)[C@H]1CC[C@H](O)CC1 ZINC000439276526 387990481 /nfs/dbraw/zinc/99/04/81/387990481.db2.gz QIGQZGMQYOCTRW-XYPYZODXSA-N 0 3 228.336 0.746 20 0 BCADHN CC[C@H](C)CN1CCO[C@@H](C(N)=O)C1 ZINC000245887214 387990701 /nfs/dbraw/zinc/99/07/01/387990701.db2.gz YCHXPPUNCXGNIP-DTWKUNHWSA-N 0 3 200.282 0.219 20 0 BCADHN CCN(C)C(=O)CN(C)[C@H]1CC[C@H](O)CC1 ZINC000439305767 387993691 /nfs/dbraw/zinc/99/36/91/387993691.db2.gz WCGXUNKUDYUZJF-XYPYZODXSA-N 0 3 228.336 0.700 20 0 BCADHN COC[C@H](O)CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446072740 387995277 /nfs/dbraw/zinc/99/52/77/387995277.db2.gz NFVWZVUIQJVEQF-LNFKQOIKSA-N 0 3 217.309 0.491 20 0 BCADHN CN(C)C(=O)CCCN1CCCOCC1 ZINC000565160795 387995728 /nfs/dbraw/zinc/99/57/28/387995728.db2.gz DNOXAEJGCNTBKZ-UHFFFAOYSA-N 0 3 214.309 0.577 20 0 BCADHN COC[C@H](C)CC(=O)NCCN(C)C1CC1 ZINC000445998599 387983641 /nfs/dbraw/zinc/98/36/41/387983641.db2.gz LPZAPQCXPCCIIV-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CCCC[C@H](N)C(=O)N(C)CC[C@H](C)O ZINC000159101428 387984945 /nfs/dbraw/zinc/98/49/45/387984945.db2.gz NSMIIUYCKFUMIG-UWVGGRQHSA-N 0 3 216.325 0.733 20 0 BCADHN O=C(NCCN1CCCC1)[C@@H]1CCC[C@H](O)C1 ZINC000439255923 387986908 /nfs/dbraw/zinc/98/69/08/387986908.db2.gz HRDBWEMIPOZBLI-NEPJUHHUSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@H]1C[C@@H](C(=O)NCCN(C)C)CO1 ZINC000439258127 387986988 /nfs/dbraw/zinc/98/69/88/387986988.db2.gz MLZPMZYIQFLXLC-DTWKUNHWSA-N 0 3 200.282 0.089 20 0 BCADHN COC[C@@H](O)CN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446081302 387997398 /nfs/dbraw/zinc/99/73/98/387997398.db2.gz NFVWZVUIQJVEQF-VLEAKVRGSA-N 0 3 217.309 0.491 20 0 BCADHN CC1(CCS(=O)(=O)N[C@H]2CCCNC2)CC1 ZINC000420408805 387998591 /nfs/dbraw/zinc/99/85/91/387998591.db2.gz WXIAKKUTXQRBFL-JTQLQIEISA-N 0 3 246.376 0.848 20 0 BCADHN CCNC(=O)NC(=O)CN1CC[C@H](C)[C@@H](C)C1 ZINC000245975536 387999703 /nfs/dbraw/zinc/99/97/03/387999703.db2.gz XAZSHWZUQXFACS-UWVGGRQHSA-N 0 3 241.335 0.810 20 0 BCADHN OC[C@@H]1CCN(CCC[C@H]2CCOC2)C[C@H]1O ZINC000645887272 388000699 /nfs/dbraw/zinc/00/06/99/388000699.db2.gz BEQZIEAYARNNKW-RWMBFGLXSA-N 0 3 243.347 0.478 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2CN(C)C)CO1 ZINC000439535118 388007355 /nfs/dbraw/zinc/00/73/55/388007355.db2.gz GFYDBLVFAWDWKT-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@](C)(CN[C@@H]1CCS(=O)(=O)[C@@H]1C)OC ZINC000322753657 388007600 /nfs/dbraw/zinc/00/76/00/388007600.db2.gz CPSRKEHXRMIZNU-GMTAPVOTSA-N 0 3 249.376 0.967 20 0 BCADHN CN1CCC[C@H](CNC(=O)C2CCOCC2)C1 ZINC000108327047 388024995 /nfs/dbraw/zinc/02/49/95/388024995.db2.gz DDYPUSDNKKHJJG-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C)nc(C)n1 ZINC000082303026 388025526 /nfs/dbraw/zinc/02/55/26/388025526.db2.gz GANSWRXLNJGEFR-UHFFFAOYSA-N 0 3 222.292 0.385 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCOC1CCCC1 ZINC000081901227 388014491 /nfs/dbraw/zinc/01/44/91/388014491.db2.gz CRSMRTBXLDGSBM-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCCOCC1CC1 ZINC000081899185 388014562 /nfs/dbraw/zinc/01/45/62/388014562.db2.gz JGAHUDPZKVIGPI-SNVBAGLBSA-N 0 3 249.376 0.826 20 0 BCADHN COC(=O)CCCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000446381178 388016649 /nfs/dbraw/zinc/01/66/49/388016649.db2.gz VFNBSLBFJAQRJS-DTWKUNHWSA-N 0 3 246.282 0.146 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2cnccn2)C1 ZINC000108344146 388017844 /nfs/dbraw/zinc/01/78/44/388017844.db2.gz BMXPRIHWOOOSRN-SNVBAGLBSA-N 0 3 234.303 0.548 20 0 BCADHN Cc1c(CNC(=O)[C@H]2C[C@H](F)CN2)cnn1C ZINC000446415569 388019735 /nfs/dbraw/zinc/01/97/35/388019735.db2.gz FNWCMUQIXIVBMK-VHSXEESVSA-N 0 3 240.282 0.045 20 0 BCADHN NC(=O)[C@@H]1CCCN1C[C@@H](O)C1CCCCC1 ZINC000249134701 388022768 /nfs/dbraw/zinc/02/27/68/388022768.db2.gz VHQYTMVTERUWKX-NWDGAFQWSA-N 0 3 240.347 0.877 20 0 BCADHN CCN(C)C(=O)[C@@H](N[C@@H](C)CC(N)=O)C(C)C ZINC000453280325 388032549 /nfs/dbraw/zinc/03/25/49/388032549.db2.gz JOPRZQCXWHOFDH-ONGXEEELSA-N 0 3 243.351 0.343 20 0 BCADHN COCCNCCNC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000424477916 388032745 /nfs/dbraw/zinc/03/27/45/388032745.db2.gz MCARWEPYAUSKNW-JGPRNRPPSA-N 0 3 241.335 0.320 20 0 BCADHN O=C(Nc1nccs1)c1n[nH]c2c1CNCC2 ZINC000082807042 388041548 /nfs/dbraw/zinc/04/15/48/388041548.db2.gz IIAMHORSOVCJMF-UHFFFAOYSA-N 0 3 249.299 0.764 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCCCS1 ZINC000082303077 388026305 /nfs/dbraw/zinc/02/63/05/388026305.db2.gz VIWXLFHRRIUSNK-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN CN(C)CCSCCCC(=O)NC(N)=O ZINC000446566246 388026718 /nfs/dbraw/zinc/02/67/18/388026718.db2.gz RWGGEGNDMDZHKA-UHFFFAOYSA-N 0 3 233.337 0.256 20 0 BCADHN CCOCCCC(=O)N1CCCNCC1 ZINC000087420243 135137237 /nfs/dbraw/zinc/13/72/37/135137237.db2.gz RGPONCAPOSFSNT-UHFFFAOYSA-N 0 3 214.309 0.625 20 0 BCADHN CNCC(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000440576650 388055640 /nfs/dbraw/zinc/05/56/40/388055640.db2.gz RKJZQXPMCZVYEN-WDEREUQCSA-N 0 3 228.336 0.653 20 0 BCADHN Cc1ccc(NC(=O)CCN2CC[C@@H](O)C2)nc1 ZINC000447303279 388061733 /nfs/dbraw/zinc/06/17/33/388061733.db2.gz RSJBGWSAFRRLLB-LLVKDONJSA-N 0 3 249.314 0.785 20 0 BCADHN Cc1ccc(NC(=O)CCN2CC[C@H](O)C2)nc1 ZINC000447309841 388063078 /nfs/dbraw/zinc/06/30/78/388063078.db2.gz RSJBGWSAFRRLLB-NSHDSACASA-N 0 3 249.314 0.785 20 0 BCADHN NCC(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000083916276 388066444 /nfs/dbraw/zinc/06/64/44/388066444.db2.gz RMDRPVYLHPFJSB-LBPRGKRZSA-N 0 3 234.299 0.415 20 0 BCADHN CNCC(=O)NCc1nc2ccccc2n1C ZINC000083908955 388066888 /nfs/dbraw/zinc/06/68/88/388066888.db2.gz JTIZRWUNAJGOAS-UHFFFAOYSA-N 0 3 232.287 0.409 20 0 BCADHN CNCC(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000083916668 388067176 /nfs/dbraw/zinc/06/71/76/388067176.db2.gz LQPZRQHDNHCHMI-GFCCVEGCSA-N 0 3 234.299 0.886 20 0 BCADHN COC1(CCN[C@H](C)CS(C)(=O)=O)CCC1 ZINC000336657697 388073104 /nfs/dbraw/zinc/07/31/04/388073104.db2.gz NHMRJOLHQSIVHH-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN O=C(NCCN1CCCC1)c1ccccn1 ZINC000055177239 388080652 /nfs/dbraw/zinc/08/06/52/388080652.db2.gz AKSYHGBXKLOXDU-UHFFFAOYSA-N 0 3 219.288 0.907 20 0 BCADHN CCOCCNC(=O)CN(CC)CC1CC1 ZINC000084694969 388080821 /nfs/dbraw/zinc/08/08/21/388080821.db2.gz XISBCXSXJYSHQI-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CC[C@@H](C(=O)N(C)CCCCCO)N(C)C ZINC000447649032 388085387 /nfs/dbraw/zinc/08/53/87/388085387.db2.gz RXOFTEUHTGAEBV-NSHDSACASA-N 0 3 230.352 0.948 20 0 BCADHN CN(CCCCCO)C(=O)[C@@H]1CCCN1C ZINC000447645110 388085414 /nfs/dbraw/zinc/08/54/14/388085414.db2.gz BGBPSONMQACAJY-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN CCCC[C@@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000085541504 388090477 /nfs/dbraw/zinc/09/04/77/388090477.db2.gz HBMUZCBGBPQQCX-OUAUKWLOSA-N 0 3 226.320 0.894 20 0 BCADHN CC[C@@H](NC(=O)C[C@H]1CNCCO1)C(C)C ZINC000085619858 388093197 /nfs/dbraw/zinc/09/31/97/388093197.db2.gz GZMRFRKRPFAQGS-WDEREUQCSA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@@](C)(CN[C@H]1CCCS(=O)(=O)C1)OC ZINC000322912376 388096660 /nfs/dbraw/zinc/09/66/60/388096660.db2.gz IYFDXIHZGVUSNB-QWRGUYRKSA-N 0 3 249.376 0.968 20 0 BCADHN CSC1(CNC(=O)NCCN(C)C)CC1 ZINC000195157507 388098328 /nfs/dbraw/zinc/09/83/28/388098328.db2.gz ZONFODNWSXKLBG-UHFFFAOYSA-N 0 3 231.365 0.743 20 0 BCADHN CCC(CC)[C@@H](O)CNC(=O)[C@@H]1NCC1(C)C ZINC000645968379 388098890 /nfs/dbraw/zinc/09/88/90/388098890.db2.gz BHZBUGYIFLIHMP-QWRGUYRKSA-N 0 3 242.363 0.898 20 0 BCADHN CN(C)CC(C)(C)NC(=O)Nc1nncs1 ZINC000454140244 388101767 /nfs/dbraw/zinc/10/17/67/388101767.db2.gz RPCOEXFAOPRLFX-UHFFFAOYSA-N 0 3 243.336 1.000 20 0 BCADHN Cc1c(CN[C@H](CO)[C@H]2CCCO2)cnn1C ZINC000447908187 388102227 /nfs/dbraw/zinc/10/22/27/388102227.db2.gz USYHJNNTSWWTFM-VXGBXAGGSA-N 0 3 239.319 0.358 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCn1cccn1 ZINC000086467692 388102342 /nfs/dbraw/zinc/10/23/42/388102342.db2.gz NBBVULYZSUNASP-WDEREUQCSA-N 0 3 236.319 0.482 20 0 BCADHN C[C@@H]1CN(C(=O)CCn2cccn2)[C@@H](C)CN1 ZINC000086467691 388102901 /nfs/dbraw/zinc/10/29/01/388102901.db2.gz NBBVULYZSUNASP-MNOVXSKESA-N 0 3 236.319 0.482 20 0 BCADHN CC(C)NC(=O)CCN[C@H](CO)[C@H]1CCCO1 ZINC000447917207 388103112 /nfs/dbraw/zinc/10/31/12/388103112.db2.gz XGYNBAAXHJQHMP-GHMZBOCLSA-N 0 3 244.335 0.031 20 0 BCADHN CCOC(=O)CCCN[C@H](CO)[C@@H]1CCCO1 ZINC000447919073 388103208 /nfs/dbraw/zinc/10/32/08/388103208.db2.gz CUTVOZFTKFAUMD-MNOVXSKESA-N 0 3 245.319 0.459 20 0 BCADHN CC(C)NC(=O)CCN[C@H](CO)[C@@H]1CCCO1 ZINC000447917208 388103984 /nfs/dbraw/zinc/10/39/84/388103984.db2.gz XGYNBAAXHJQHMP-MNOVXSKESA-N 0 3 244.335 0.031 20 0 BCADHN [NH3+][C@@H](CC(F)F)C(=O)Nc1ncccc1[O-] ZINC000336661529 388105340 /nfs/dbraw/zinc/10/53/40/388105340.db2.gz OCRCGNIPBWJDHN-YFKPBYRVSA-N 0 3 231.202 0.708 20 0 BCADHN [NH3+][C@H](CC(F)F)C(=O)Nc1ncccc1[O-] ZINC000336661492 388107507 /nfs/dbraw/zinc/10/75/07/388107507.db2.gz OCRCGNIPBWJDHN-RXMQYKEDSA-N 0 3 231.202 0.708 20 0 BCADHN CNC(=O)NC(=O)CN1CC[C@@H](C)C[C@H](C)C1 ZINC000246662742 388109731 /nfs/dbraw/zinc/10/97/31/388109731.db2.gz KWGCFSCURMSRCY-ZJUUUORDSA-N 0 3 241.335 0.810 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1CCC[C@H]1C ZINC000261527933 135152662 /nfs/dbraw/zinc/15/26/62/135152662.db2.gz HZJOGNRIWGXSLD-HRDYMLBCSA-N 0 3 200.282 0.265 20 0 BCADHN CC(C)[C@@H](NC(=O)CN1CCNCC1)C1CC1 ZINC000324191164 388112958 /nfs/dbraw/zinc/11/29/58/388112958.db2.gz WTNYJQYAXIVQJW-CYBMUJFWSA-N 0 3 239.363 0.442 20 0 BCADHN C[C@@H](CNC(=O)N1C[C@@H](C)O[C@H](C)C1)N(C)C ZINC000454322561 388113534 /nfs/dbraw/zinc/11/35/34/388113534.db2.gz OULJTPAGCCZUHU-HBNTYKKESA-N 0 3 243.351 0.755 20 0 BCADHN CCOCCNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454322336 388113718 /nfs/dbraw/zinc/11/37/18/388113718.db2.gz NAVBUFHEYAICPP-WDEREUQCSA-N 0 3 241.335 0.368 20 0 BCADHN COC(=O)CC1(CN2CC[C@@](C)(O)C2)CC1 ZINC000440508634 388046746 /nfs/dbraw/zinc/04/67/46/388046746.db2.gz NKGUYMVWUJTZHT-LLVKDONJSA-N 0 3 227.304 0.786 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCc2ncncc2C1 ZINC000648713697 388047890 /nfs/dbraw/zinc/04/78/90/388047890.db2.gz VRVCEGJHWKIICO-JTQLQIEISA-N 0 3 248.330 0.259 20 0 BCADHN Cc1nn(C)cc1CNCCC[S@@](C)=O ZINC000160148849 388048474 /nfs/dbraw/zinc/04/84/74/388048474.db2.gz WKVALGXSKBVETN-HNNXBMFYSA-N 0 3 229.349 0.587 20 0 BCADHN Cc1nn(C)cc1CNCCC[S@](C)=O ZINC000160148711 388048624 /nfs/dbraw/zinc/04/86/24/388048624.db2.gz WKVALGXSKBVETN-OAHLLOKOSA-N 0 3 229.349 0.587 20 0 BCADHN CCCOc1cccc(CNC[C@@H](O)CO)c1 ZINC000083367151 388049299 /nfs/dbraw/zinc/04/92/99/388049299.db2.gz TYGSTKDAQDFHFB-GFCCVEGCSA-N 0 3 239.315 0.918 20 0 BCADHN Cc1nn(C)cc1CNCC[C@H](C)[S@@](C)=O ZINC000160168558 388049596 /nfs/dbraw/zinc/04/95/96/388049596.db2.gz MJISXUGTZGYSLW-FVMDXXJSSA-N 0 3 243.376 0.975 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC(C)(CO)C1)N(C)C ZINC000456229426 388187391 /nfs/dbraw/zinc/18/73/91/388187391.db2.gz JBZYWJQDFWXOAJ-JTQLQIEISA-N 0 3 228.336 0.413 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CC(=O)N(C3CC3)C2)[C@H](C)O1 ZINC000449223068 388159051 /nfs/dbraw/zinc/15/90/51/388159051.db2.gz JCGMIJGVDSEKHK-KLBPJQLPSA-N 0 3 238.331 0.905 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)NC[C@H](C)N(C)C ZINC000455434917 388159726 /nfs/dbraw/zinc/15/97/26/388159726.db2.gz RVRVOEAGSHDJDY-VHSXEESVSA-N 0 3 231.340 0.253 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)[C@H](C)NC1CC1 ZINC000449379700 388187615 /nfs/dbraw/zinc/18/76/15/388187615.db2.gz JQKDMVNFDQEOJV-CMPLNLGQSA-N 0 3 239.363 0.727 20 0 BCADHN C[C@@H](CNC(=O)N(C)C[C@@H]1CCCO1)N(C)C ZINC000455431220 388159779 /nfs/dbraw/zinc/15/97/79/388159779.db2.gz LNKOCVCKNDTHET-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H](CNC(=O)N1CCO[C@H](C)[C@@H]1C)N(C)C ZINC000455428513 388159889 /nfs/dbraw/zinc/15/98/89/388159889.db2.gz HZIMUQFIFZQDFZ-GARJFASQSA-N 0 3 243.351 0.755 20 0 BCADHN CC[C@H](CO)NC(=O)NC[C@H](C)N(C)C ZINC000455429145 388159941 /nfs/dbraw/zinc/15/99/41/388159941.db2.gz JBZYGMNLNKYYDZ-DTWKUNHWSA-N 0 3 217.313 0.007 20 0 BCADHN Cc1cccc(CCN2C[C@@H](O)C[C@H]2CO)c1 ZINC000449236161 388159981 /nfs/dbraw/zinc/15/99/81/388159981.db2.gz IWYZSLANTITKBG-KBPBESRZSA-N 0 3 235.327 0.965 20 0 BCADHN C[C@@H]1COCC[C@@H]1C(=O)NCCN1CCCC1 ZINC000195333738 388160155 /nfs/dbraw/zinc/16/01/55/388160155.db2.gz ZQIKVNZQEZDFOF-NEPJUHHUSA-N 0 3 240.347 0.871 20 0 BCADHN COC[C@H](O)CNCc1cnc(N(C)C)s1 ZINC000164152065 388162706 /nfs/dbraw/zinc/16/27/06/388162706.db2.gz CWYGIUUAOFHXJL-MRVPVSSYSA-N 0 3 245.348 0.306 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)CC1CCC1 ZINC000646209676 388164303 /nfs/dbraw/zinc/16/43/03/388164303.db2.gz OYMQCKJPNJMRJE-SNVBAGLBSA-N 0 3 214.309 0.215 20 0 BCADHN CCCC[C@H](C)C(=O)N[C@@H](CO)CN(C)C ZINC000646209165 388164368 /nfs/dbraw/zinc/16/43/68/388164368.db2.gz YFBVLPDHGFEJEQ-WDEREUQCSA-N 0 3 230.352 0.851 20 0 BCADHN CC[C@@H](C)CC(=O)N[C@@H](CO)CN(C)C ZINC000646208910 388164484 /nfs/dbraw/zinc/16/44/84/388164484.db2.gz NRCRKHABFASOJQ-NXEZZACHSA-N 0 3 216.325 0.461 20 0 BCADHN C[C@@H](C[C@@H]1CCCO1)NC(=O)C1(N)CCC1 ZINC000449269280 388164616 /nfs/dbraw/zinc/16/46/16/388164616.db2.gz ADUIENYFUSLEFB-UWVGGRQHSA-N 0 3 226.320 0.942 20 0 BCADHN NC1(C(=O)NCCCO[C@H]2CCOC2)CCC1 ZINC000646214605 388165964 /nfs/dbraw/zinc/16/59/64/388165964.db2.gz YAHNRUUHMREQCU-JTQLQIEISA-N 0 3 242.319 0.180 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@@H]1NCC1(C)C ZINC000646212461 388166019 /nfs/dbraw/zinc/16/60/19/388166019.db2.gz HTKBLIZFFPSMLZ-ZJUUUORDSA-N 0 3 228.336 0.509 20 0 BCADHN CCCN[C@H](C)C(=O)N[C@H]1CCCN(C)C1=O ZINC000449281157 388167671 /nfs/dbraw/zinc/16/76/71/388167671.db2.gz BTEXRUGYNTVFMW-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000646228532 388168540 /nfs/dbraw/zinc/16/85/40/388168540.db2.gz BYSXXISUCUVNTQ-DCAQKATOSA-N 0 3 228.336 0.901 20 0 BCADHN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)[C@@H](C)N ZINC000646227258 388168605 /nfs/dbraw/zinc/16/86/05/388168605.db2.gz LUAUBMFPNIZDQA-KCJUWKMLSA-N 0 3 236.319 0.739 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1NCC1(C)C)c1cn[nH]c1 ZINC000646271895 388173942 /nfs/dbraw/zinc/17/39/42/388173942.db2.gz ICBBGXNHHCFTJP-APPZFPTMSA-N 0 3 222.292 0.585 20 0 BCADHN CC[C@@H]1CN(C)CCN1Cc1cn[nH]c1 ZINC000646279541 388175100 /nfs/dbraw/zinc/17/51/00/388175100.db2.gz IBBHKFRYWLOXJM-LLVKDONJSA-N 0 3 208.309 0.936 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@H]2NCC2(C)C)CCO1 ZINC000646296157 388177636 /nfs/dbraw/zinc/17/76/36/388177636.db2.gz AVAYCCZKEDNOKE-MNOVXSKESA-N 0 3 240.347 0.868 20 0 BCADHN CC(C)[C@H](CO)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456176864 388182851 /nfs/dbraw/zinc/18/28/51/388182851.db2.gz YSNDLEYXALYUJQ-SDDRHHMPSA-N 0 3 240.347 0.413 20 0 BCADHN CC[C@@H](NC(=O)CN(CC)CC)[C@@H](C)O ZINC000456209245 388184627 /nfs/dbraw/zinc/18/46/27/388184627.db2.gz IGYGNLVWELLASO-NXEZZACHSA-N 0 3 216.325 0.604 20 0 BCADHN CC[C@@H](O)CC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000448882239 388117003 /nfs/dbraw/zinc/11/70/03/388117003.db2.gz NIASCUZFTMCELA-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H](CNC(=O)CC1(O)CCC1)N(C)C1CC1 ZINC000448891664 388117971 /nfs/dbraw/zinc/11/79/71/388117971.db2.gz VAEOKETVSHOXPM-SNVBAGLBSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CO ZINC000448933074 388121440 /nfs/dbraw/zinc/12/14/40/388121440.db2.gz NVFNMDMOZDOIKZ-AOOOYVTPSA-N 0 3 214.309 0.358 20 0 BCADHN CC(C(=O)N1CCCO[C@H](C)C1)S(C)(=O)=O ZINC000171260410 388122931 /nfs/dbraw/zinc/12/29/31/388122931.db2.gz KEKVJPADOBIKPV-RKDXNWHRSA-N 0 3 249.332 0.057 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NC(CF)CF ZINC000454622333 388125588 /nfs/dbraw/zinc/12/55/88/388125588.db2.gz AULFKSOAQLUWSM-SECBINFHSA-N 0 3 235.278 0.687 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@H]1CCCO1 ZINC000162217214 388125734 /nfs/dbraw/zinc/12/57/34/388125734.db2.gz JDLAJNQLXWNIFA-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@@H]1CCCO1 ZINC000162216847 388126142 /nfs/dbraw/zinc/12/61/42/388126142.db2.gz JDLAJNQLXWNIFA-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN CN(CCC(C)(C)C)CC(=O)N1CCNC1=O ZINC000646027685 388126926 /nfs/dbraw/zinc/12/69/26/388126926.db2.gz WSVDHPOPHNFHHR-UHFFFAOYSA-N 0 3 241.335 0.906 20 0 BCADHN CN(Cc1cnccn1)C(=O)[C@@H]1NCC1(C)C ZINC000646030473 388129063 /nfs/dbraw/zinc/12/90/63/388129063.db2.gz CKCKUJOINPFPCJ-JTQLQIEISA-N 0 3 234.303 0.433 20 0 BCADHN Cc1c(C(=O)N2CCN3CCC[C@@H]3C2)cnn1C ZINC000171585769 388130409 /nfs/dbraw/zinc/13/04/09/388130409.db2.gz CYEZVFUKAUGJTH-LLVKDONJSA-N 0 3 248.330 0.649 20 0 BCADHN NC(=O)[C@@H]1CCCN1CC[C@H]1CCCO1 ZINC000249278343 388132264 /nfs/dbraw/zinc/13/22/64/388132264.db2.gz KJCOEYZPFSMLNE-ZJUUUORDSA-N 0 3 212.293 0.505 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1CCO[C@H]1C)N(C)C ZINC000454750171 388132942 /nfs/dbraw/zinc/13/29/42/388132942.db2.gz NSNWXHWDHZFATB-GUBZILKMSA-N 0 3 229.324 0.413 20 0 BCADHN CC[C@@H]1CN(C)CCCN1C(=O)c1c[nH]cn1 ZINC000646051687 388133499 /nfs/dbraw/zinc/13/34/99/388133499.db2.gz FWJKVCKUFGAOEZ-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN CCc1cc(CNC(=O)[C@H](N)C(C)C)on1 ZINC000646065335 388135771 /nfs/dbraw/zinc/13/57/71/388135771.db2.gz ZDZDZAFSRAOYKJ-SNVBAGLBSA-N 0 3 225.292 0.837 20 0 BCADHN CCCN[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NC ZINC000449059838 388136798 /nfs/dbraw/zinc/13/67/98/388136798.db2.gz QQHXLXKIZGHNAA-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1C[C@@H]1C(F)F)N(C)C ZINC000454949405 388141007 /nfs/dbraw/zinc/14/10/07/388141007.db2.gz KEUNTKIDWXYYDI-FXQIFTODSA-N 0 3 235.278 0.889 20 0 BCADHN COc1ccc(NC(=O)C2(N)CCC2)nc1 ZINC000646094498 388141003 /nfs/dbraw/zinc/14/10/03/388141003.db2.gz AHFCKFBNEOIZNS-UHFFFAOYSA-N 0 3 221.260 0.910 20 0 BCADHN C[C@@H](C(N)=O)N1CC2(C[C@H]1C)CCOCC2 ZINC000646095938 388141373 /nfs/dbraw/zinc/14/13/73/388141373.db2.gz FEOWIAUTNKJQBK-ZJUUUORDSA-N 0 3 226.320 0.751 20 0 BCADHN Cc1sccc1CN1C[C@H](O)C[C@H](O)C1 ZINC000646099672 388141913 /nfs/dbraw/zinc/14/19/13/388141913.db2.gz XTNFIBDXPCTZGJ-PHIMTYICSA-N 0 3 227.329 0.984 20 0 BCADHN CCCN[C@@H](C)C(=O)N(CCC)CC(=O)NC ZINC000449101658 388142181 /nfs/dbraw/zinc/14/21/81/388142181.db2.gz VBSIRIDAXUIICV-JTQLQIEISA-N 0 3 243.351 0.359 20 0 BCADHN C[C@H]1CC2(CN1CC(N)=O)CCOCC2 ZINC000646101893 388143380 /nfs/dbraw/zinc/14/33/80/388143380.db2.gz OSWPPVFIIAVFEN-VIFPVBQESA-N 0 3 212.293 0.363 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H](CO)C(C)C ZINC000162302021 388146423 /nfs/dbraw/zinc/14/64/23/388146423.db2.gz GTLDHJGESMXSCR-VHSXEESVSA-N 0 3 237.365 0.416 20 0 BCADHN CCC[C@H](C(=O)NC(COC)COC)N(C)C ZINC000456230605 388187115 /nfs/dbraw/zinc/18/71/15/388187115.db2.gz NZBSPQPIBRJGDH-LLVKDONJSA-N 0 3 246.351 0.494 20 0 BCADHN CCCN[C@H](C)C(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000449161925 388151058 /nfs/dbraw/zinc/15/10/58/388151058.db2.gz PZYKZSJPRUFUHS-BDAKNGLRSA-N 0 3 243.351 0.391 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCOC[C@H]1C1CC1 ZINC000449166479 388151650 /nfs/dbraw/zinc/15/16/50/388151650.db2.gz DCPUDZULGCEEJZ-CABZTGNLSA-N 0 3 238.331 0.764 20 0 BCADHN CCn1nccc1NC(=O)[C@@H](C)NC1CC1 ZINC000449171792 388152871 /nfs/dbraw/zinc/15/28/71/388152871.db2.gz UWGMUBUTZUCAAI-MRVPVSSYSA-N 0 3 222.292 0.982 20 0 BCADHN C[C@@H](CNC(=O)NC[C@H]1CCCO1)N(C)C ZINC000455263803 388153989 /nfs/dbraw/zinc/15/39/89/388153989.db2.gz BUVNEXZTDAVSOK-VHSXEESVSA-N 0 3 229.324 0.415 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000449179715 388154215 /nfs/dbraw/zinc/15/42/15/388154215.db2.gz WOGZAPKQANRIEJ-BBBLOLIVSA-N 0 3 225.336 0.336 20 0 BCADHN C[C@@H](CO)[C@@H](C)N[C@@H](C)C(=O)N(C)C ZINC000164911317 388249079 /nfs/dbraw/zinc/24/90/79/388249079.db2.gz QSQQLNVFEJVLKU-YIZRAAEISA-N 0 3 202.298 0.070 20 0 BCADHN C[C@H]1OCC[C@H]1N(CCO)Cc1ccn(C)c1 ZINC000449676468 388250942 /nfs/dbraw/zinc/25/09/42/388250942.db2.gz HHNKVBPBXKRQOB-DGCLKSJQSA-N 0 3 238.331 0.997 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000167628045 388256370 /nfs/dbraw/zinc/25/63/70/388256370.db2.gz DUSZQFFKSPHAPE-WDEREUQCSA-N 0 3 236.319 0.821 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000167628262 388256392 /nfs/dbraw/zinc/25/63/92/388256392.db2.gz DUSZQFFKSPHAPE-QWRGUYRKSA-N 0 3 236.319 0.821 20 0 BCADHN COCCN1CCCN(C[C@@H]2C[C@@H]2C)CC1=O ZINC000488571563 388188956 /nfs/dbraw/zinc/18/89/56/388188956.db2.gz GDMZCQYVRWGEQU-RYUDHWBXSA-N 0 3 240.347 0.823 20 0 BCADHN CN(C)[C@H]1CN(C(=O)C(C)(C)C)C[C@@H]1O ZINC000646306822 388195314 /nfs/dbraw/zinc/19/53/14/388195314.db2.gz RNPWYPBVLAHWBE-IUCAKERBSA-N 0 3 214.309 0.166 20 0 BCADHN C[C@@H](C[S@@](C)=O)NCc1cccn1C ZINC000164287855 388201547 /nfs/dbraw/zinc/20/15/47/388201547.db2.gz LCYNYNVFJOMMIY-XPTSAGLGSA-N 0 3 214.334 0.882 20 0 BCADHN C[C@@H](CCCO)NC(=O)C1(N)CCC1 ZINC000088051572 256540169 /nfs/dbraw/zinc/54/01/69/256540169.db2.gz RWOUSLFHNDXOHA-QMMMGPOBSA-N 0 3 200.282 0.145 20 0 BCADHN CCOC[C@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000489086946 388203722 /nfs/dbraw/zinc/20/37/22/388203722.db2.gz DSYQPSDGRBWYHR-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CCO[C@@H]1C[C@](N)(C(=O)N(C)C)C1(C)C ZINC000162521419 388204591 /nfs/dbraw/zinc/20/45/91/388204591.db2.gz AJIKADVYJNQZAD-KCJUWKMLSA-N 0 3 214.309 0.607 20 0 BCADHN CCN(C)C(=O)[C@@H](N[C@@H]1CCOC1)C(C)C ZINC000449441100 388207112 /nfs/dbraw/zinc/20/71/12/388207112.db2.gz PEZXGDVSLSAQLA-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1COCC1(C)C ZINC000456540186 388207346 /nfs/dbraw/zinc/20/73/46/388207346.db2.gz MBWQADVPOGSEFM-SNVBAGLBSA-N 0 3 228.336 0.868 20 0 BCADHN COCCN(CCOCCO)[C@H]1CCO[C@@H]1C ZINC000489414428 388211777 /nfs/dbraw/zinc/21/17/77/388211777.db2.gz ZZPRJNQAEPTBML-NEPJUHHUSA-N 0 3 247.335 0.121 20 0 BCADHN C[C@@H](C[S@@](C)=O)NCc1cc[nH]c1 ZINC000164317014 388217113 /nfs/dbraw/zinc/21/71/13/388217113.db2.gz JCHSECGGZXOFQD-SDBXPKJASA-N 0 3 200.307 0.871 20 0 BCADHN COCCN(CCCO)[C@@H]1CCO[C@@H]1C ZINC000489477104 388217756 /nfs/dbraw/zinc/21/77/56/388217756.db2.gz JCJKNSRBBMTAHN-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN CCN1C[C@H](N[C@H](C)CC(=O)N(C)C)CC1=O ZINC000449523129 388223461 /nfs/dbraw/zinc/22/34/61/388223461.db2.gz XSDCWHQXLFGYKM-NXEZZACHSA-N 0 3 241.335 0.064 20 0 BCADHN Cc1nccc(CN2C[C@H]3CCN(C)[C@H]3C2)n1 ZINC000449525243 388224169 /nfs/dbraw/zinc/22/41/69/388224169.db2.gz UTKQCILSRFFKRW-YPMHNXCESA-N 0 3 232.331 0.921 20 0 BCADHN COc1nccc(CN2C[C@@H]3CCN(C)[C@@H]3C2)n1 ZINC000449524359 388224614 /nfs/dbraw/zinc/22/46/14/388224614.db2.gz PYYDCMOEEIDVPA-CMPLNLGQSA-N 0 3 248.330 0.621 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC(=O)CN(CC)CC ZINC000456817102 388224977 /nfs/dbraw/zinc/22/49/77/388224977.db2.gz YYMGMSYUYDMJDL-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN CC[C@H](N)C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000489860539 388225905 /nfs/dbraw/zinc/22/59/05/388225905.db2.gz CVSKJEQMKONIBI-JTQLQIEISA-N 0 3 237.303 0.758 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000489859084 388225932 /nfs/dbraw/zinc/22/59/32/388225932.db2.gz LLSLASBIVIJYTA-IUCAKERBSA-N 0 3 222.292 0.121 20 0 BCADHN CC[C@H](NCc1cnc(N(C)C)nc1)[C@H](C)O ZINC000449542240 388227964 /nfs/dbraw/zinc/22/79/64/388227964.db2.gz LVMJVFYDECVKPB-ONGXEEELSA-N 0 3 238.335 0.792 20 0 BCADHN CCC[C@H](C(=O)NC[C@@H](O)C1CCC1)N(C)C ZINC000456854848 388228028 /nfs/dbraw/zinc/22/80/28/388228028.db2.gz GJCRCMDUOXHDGQ-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000489980178 388229786 /nfs/dbraw/zinc/22/97/86/388229786.db2.gz IJAWVJDMNLGFLT-DCAQKATOSA-N 0 3 243.351 0.539 20 0 BCADHN CC[C@H]1CN(CC)CCN1Cc1cnnn1C ZINC000449564419 388233696 /nfs/dbraw/zinc/23/36/96/388233696.db2.gz APFXJJTUFYPOSJ-NSHDSACASA-N 0 3 237.351 0.731 20 0 BCADHN COCCN(CC1(C)COC1)[C@H]1CCOC1 ZINC000490089443 388233782 /nfs/dbraw/zinc/23/37/82/388233782.db2.gz MQZQNUJFEMRENH-NSHDSACASA-N 0 3 229.320 0.760 20 0 BCADHN CCOC(=O)CN1CCN(CC)C[C@@H]1CC ZINC000449567670 388235045 /nfs/dbraw/zinc/23/50/45/388235045.db2.gz XITFPBSNTRYMFA-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CO[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O ZINC000449570934 388235815 /nfs/dbraw/zinc/23/58/15/388235815.db2.gz ISPCLKIDQPVTDH-CHWSQXEVSA-N 0 3 243.347 0.885 20 0 BCADHN Cc1ccc(C(N)=O)cc1NC(=O)[C@@H](C)N ZINC000490419776 388238880 /nfs/dbraw/zinc/23/88/80/388238880.db2.gz IYVLQPJANIITJS-SSDOTTSWSA-N 0 3 221.260 0.380 20 0 BCADHN COC(=O)C1CCN([C@H]2CCOC2)CC1 ZINC000070072904 388260189 /nfs/dbraw/zinc/26/01/89/388260189.db2.gz ZOTWDGNPJQNLDZ-JTQLQIEISA-N 0 3 213.277 0.660 20 0 BCADHN CC[C@@H](C)N1CCN(Cc2cn(C)nn2)CC1 ZINC000449627112 388245117 /nfs/dbraw/zinc/24/51/17/388245117.db2.gz YOQMFJPCIMQWTE-LLVKDONJSA-N 0 3 237.351 0.731 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)C1CCC1 ZINC000449657792 388247815 /nfs/dbraw/zinc/24/78/15/388247815.db2.gz QTRCQZCNCGLQFF-QMMMGPOBSA-N 0 3 218.247 0.900 20 0 BCADHN C[NH+](C)C/C=C/C(=O)NCc1ncccc1[O-] ZINC000492008734 388331488 /nfs/dbraw/zinc/33/14/88/388331488.db2.gz ZZKMRHDNMBFQCP-GQCTYLIASA-N 0 3 235.287 0.521 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCOCC1(C)C ZINC000492009428 388331513 /nfs/dbraw/zinc/33/15/13/388331513.db2.gz RXKMWRWHVNJHKU-WAYWQWQTSA-N 0 3 226.320 0.742 20 0 BCADHN Cc1cc(CN2C[C@H]3CCN(C)[C@H]3C2)ncn1 ZINC000451624073 388285516 /nfs/dbraw/zinc/28/55/16/388285516.db2.gz LZPUFNYAMXIEGQ-YPMHNXCESA-N 0 3 232.331 0.921 20 0 BCADHN CC[C@H](C(=O)OC)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451626459 388285781 /nfs/dbraw/zinc/28/57/81/388285781.db2.gz FBMIGKAOMQQWLW-HBNTYKKESA-N 0 3 226.320 0.574 20 0 BCADHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccncc1 ZINC000451629949 388285851 /nfs/dbraw/zinc/28/58/51/388285851.db2.gz IOWUGNXJWOWPAQ-VXGBXAGGSA-N 0 3 249.314 0.599 20 0 BCADHN Cc1cc(CN2C[C@H]3CCN(C)[C@H]3C2)nn1C ZINC000451630470 388285877 /nfs/dbraw/zinc/28/58/77/388285877.db2.gz LTQXEELXHCVZTL-YPMHNXCESA-N 0 3 234.347 0.864 20 0 BCADHN CCOC(=O)[C@](C)(O)CN[C@@H]1CCC[C@H]1OC ZINC000451631491 388286516 /nfs/dbraw/zinc/28/65/16/388286516.db2.gz LQXWOHAHZUOWRP-CKYFFXLPSA-N 0 3 245.319 0.458 20 0 BCADHN CCNC(=O)CN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451715529 388291244 /nfs/dbraw/zinc/29/12/44/388291244.db2.gz TZOGNHHNPWSNDR-WOPDTQHZSA-N 0 3 240.347 0.605 20 0 BCADHN CCNC(=O)CN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451715528 388291708 /nfs/dbraw/zinc/29/17/08/388291708.db2.gz TZOGNHHNPWSNDR-UTUOFQBUSA-N 0 3 240.347 0.605 20 0 BCADHN CO[C@H](C)CNC(=O)/C=C\CN(C)C ZINC000492020255 388331790 /nfs/dbraw/zinc/33/17/90/388331790.db2.gz PYLIKYFLECOHPL-SSJHQANKSA-N 0 3 200.282 0.255 20 0 BCADHN COCCCCCN1C[C@@H](O)[C@H](OC)C1 ZINC000451748085 388293185 /nfs/dbraw/zinc/29/31/85/388293185.db2.gz HWDVUAOREBUYQH-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN CO[C@@H]1CN(C[C@H](O)CCC(C)C)C[C@H]1O ZINC000451754968 388294155 /nfs/dbraw/zinc/29/41/55/388294155.db2.gz DDDVZBGJYCEIDT-IJLUTSLNSA-N 0 3 231.336 0.475 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CC1(F)F ZINC000451765258 388294554 /nfs/dbraw/zinc/29/45/54/388294554.db2.gz UJPJLUCBUFNPNI-BQBZGAKWSA-N 0 3 206.236 0.708 20 0 BCADHN CC[C@H](C)N1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000451820089 388298464 /nfs/dbraw/zinc/29/84/64/388298464.db2.gz CPFAHLVSJYNGKA-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN COCCOCCCNC(=O)/C=C\CN(C)C ZINC000491687858 388310910 /nfs/dbraw/zinc/31/09/10/388310910.db2.gz YBMBNAPYBXOKJP-XQRVVYSFSA-N 0 3 244.335 0.274 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)/C=C\CN(C)C)n1 ZINC000491687920 388311014 /nfs/dbraw/zinc/31/10/14/388311014.db2.gz YOOBNDMOJVNAAC-RPSMYOMKSA-N 0 3 238.291 0.673 20 0 BCADHN CN(C)C/C=C\C(=O)NCCc1ncc[nH]1 ZINC000492041013 388332713 /nfs/dbraw/zinc/33/27/13/388332713.db2.gz MOKCHPYMTUAGEU-ARJAWSKDSA-N 0 3 222.292 0.186 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)/C=C\CN(C)C ZINC000491841349 388324281 /nfs/dbraw/zinc/32/42/81/388324281.db2.gz CCTNBIKUNCXSJS-SSJHQANKSA-N 0 3 228.292 0.030 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@]1(C)CCOC1 ZINC000491847683 388324555 /nfs/dbraw/zinc/32/45/55/388324555.db2.gz MJOFXPGEFSCCRD-RXNFCKPNSA-N 0 3 226.320 0.647 20 0 BCADHN CN(C)C/C=C\C(=O)NCc1cc[nH]n1 ZINC000491848197 388324817 /nfs/dbraw/zinc/32/48/17/388324817.db2.gz SOCBZKZGLHQVFS-ARJAWSKDSA-N 0 3 208.265 0.144 20 0 BCADHN COC(=O)CCCNC(=O)/C=C\CN(C)C ZINC000491861370 388324874 /nfs/dbraw/zinc/32/48/74/388324874.db2.gz AJOJFOIBAYSTNI-WAYWQWQTSA-N 0 3 228.292 0.174 20 0 BCADHN CC[C@@H](COC)NC(=O)/C=C\CN(C)C ZINC000491865139 388325180 /nfs/dbraw/zinc/32/51/80/388325180.db2.gz HANSORAODGMEFD-GFVADAIESA-N 0 3 214.309 0.645 20 0 BCADHN CN(C)C/C=C/C(=O)NCCn1cccn1 ZINC000491871465 388325533 /nfs/dbraw/zinc/32/55/33/388325533.db2.gz QJJMCBCHZKLSHK-HWKANZROSA-N 0 3 222.292 0.117 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCn2ccnc2C1 ZINC000491884583 388326104 /nfs/dbraw/zinc/32/61/04/388326104.db2.gz NSWLDFITOSGPRD-ARJAWSKDSA-N 0 3 234.303 0.343 20 0 BCADHN COC[C@H](C)N(C)C(=O)/C=C\CN(C)C ZINC000491882239 388326156 /nfs/dbraw/zinc/32/61/56/388326156.db2.gz IFLGGEWFNZQOIA-GFVADAIESA-N 0 3 214.309 0.598 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C(=O)/C=C/CN(C)C ZINC000492052695 388333082 /nfs/dbraw/zinc/33/30/82/388333082.db2.gz ZSRCVBVTUPBVFU-NUNSBDKSSA-N 0 3 212.293 0.086 20 0 BCADHN CN(C)C/C=C\C(=O)NCc1nccs1 ZINC000491896292 388326702 /nfs/dbraw/zinc/32/67/02/388326702.db2.gz ZIOKRZYVWMTHAB-ARJAWSKDSA-N 0 3 225.317 0.877 20 0 BCADHN CSCCCNC(=O)/C=C\CN(C)C ZINC000491902063 388326941 /nfs/dbraw/zinc/32/69/41/388326941.db2.gz AZMHRWNHMLUVMP-XQRVVYSFSA-N 0 3 216.350 0.974 20 0 BCADHN COC[C@@H](NC(=O)/C=C/CN(C)C)C(C)C ZINC000491940110 388327578 /nfs/dbraw/zinc/32/75/78/388327578.db2.gz PUYDHQRKTLIPEG-XUIVZRPNSA-N 0 3 228.336 0.891 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)c1cnn(C)c1 ZINC000491942036 388327798 /nfs/dbraw/zinc/32/77/98/388327798.db2.gz UGJWOXQPDYXEPC-WAYWQWQTSA-N 0 3 222.292 0.501 20 0 BCADHN COCC[C@@](C)(O)CNC(=O)/C=C\CN(C)C ZINC000491926920 388328251 /nfs/dbraw/zinc/32/82/51/388328251.db2.gz RLRAXJFSFYMTCO-FOQNGQEVSA-N 0 3 244.335 0.008 20 0 BCADHN CSC[C@@H](O)CN1CCSC[C@H]1CO ZINC000491982766 388330532 /nfs/dbraw/zinc/33/05/32/388330532.db2.gz SIWMSDRYZYXPEH-BDAKNGLRSA-N 0 3 237.390 0.120 20 0 BCADHN COC(=O)CN(C(=O)/C=C\CN(C)C)C1CC1 ZINC000491984511 388330579 /nfs/dbraw/zinc/33/05/79/388330579.db2.gz PWCKJOVFLOSQOS-PLNGDYQASA-N 0 3 240.303 0.268 20 0 BCADHN CC[C@H](N)C(=O)NC(CC)(CC)CC(=O)OC ZINC000490977147 388263127 /nfs/dbraw/zinc/26/31/27/388263127.db2.gz TVEMHSSDOQXWPT-VIFPVBQESA-N 0 3 244.335 0.962 20 0 BCADHN C[C@@H](N(C)CC(=O)N(C)CC1CC1)C(C)(C)O ZINC000451363457 388264614 /nfs/dbraw/zinc/26/46/14/388264614.db2.gz TUDAPPPXWMPCLO-SNVBAGLBSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@H](N(C)CC(=O)NCC1CCC1)C(C)(C)O ZINC000451363809 388264959 /nfs/dbraw/zinc/26/49/59/388264959.db2.gz UISIIWYDFDRJHN-JTQLQIEISA-N 0 3 242.363 0.994 20 0 BCADHN COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)CN ZINC000491030397 388265541 /nfs/dbraw/zinc/26/55/41/388265541.db2.gz BUYDXULQLBGNBQ-UWVGGRQHSA-N 0 3 242.319 0.573 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1cc(C)cn(C)c1=O ZINC000491071711 388268032 /nfs/dbraw/zinc/26/80/32/388268032.db2.gz XXHCWOHMXVZYCR-SECBINFHSA-N 0 3 237.303 0.760 20 0 BCADHN CCC[C@H](N)C(=O)NC1(CC(N)=O)CCC1 ZINC000491074177 388268450 /nfs/dbraw/zinc/26/84/50/388268450.db2.gz GHJXXRXRJPXZDV-QMMMGPOBSA-N 0 3 227.308 0.028 20 0 BCADHN CCOC[C@H]1CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000491081208 388268608 /nfs/dbraw/zinc/26/86/08/388268608.db2.gz UVEPZFIOMZPGPH-WDEREUQCSA-N 0 3 228.336 0.855 20 0 BCADHN CCN1CCN(C(=O)[C@H](N)CCSC)CC1 ZINC000163369864 388269792 /nfs/dbraw/zinc/26/97/92/388269792.db2.gz IHNIHSUDBXNIKF-SNVBAGLBSA-N 0 3 245.392 0.231 20 0 BCADHN CO[C@@H](C)CN1CC[C@@](O)(C(F)F)C1 ZINC000451426701 388271837 /nfs/dbraw/zinc/27/18/37/388271837.db2.gz IMJUFLFIDPXMHP-CBAPKCEASA-N 0 3 209.236 0.723 20 0 BCADHN CCOC(=O)CCN1CC[C@](O)(C(F)F)C1 ZINC000451434250 388273134 /nfs/dbraw/zinc/27/31/34/388273134.db2.gz HWQSLTYJRGKAFM-SNVBAGLBSA-N 0 3 237.246 0.642 20 0 BCADHN COC(=O)C1(CN2CC[C@](O)(C(F)F)C2)CC1 ZINC000451441927 388274002 /nfs/dbraw/zinc/27/40/02/388274002.db2.gz ZNNVSLNESHPBRF-LLVKDONJSA-N 0 3 249.257 0.642 20 0 BCADHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)N2CCC2)C1(C)C ZINC000451498752 388278124 /nfs/dbraw/zinc/27/81/24/388278124.db2.gz DYGWMAXHKLCHGB-MVWJERBFSA-N 0 3 240.347 0.868 20 0 BCADHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)NC2CC2)C1(C)C ZINC000451516850 388278640 /nfs/dbraw/zinc/27/86/40/388278640.db2.gz ZJNQKSGHJPOHRZ-JFUSQASVSA-N 0 3 240.347 0.914 20 0 BCADHN CN(C)C/C=C/C(=O)N(CCCCO)C1CC1 ZINC000492301601 388341006 /nfs/dbraw/zinc/34/10/06/388341006.db2.gz VRXBIAUBXFOTMO-AATRIKPKSA-N 0 3 240.347 0.868 20 0 BCADHN COC[C@@H](C)NC(=O)/C=C\CN(C)C ZINC000492338037 388341979 /nfs/dbraw/zinc/34/19/79/388341979.db2.gz BMIJRJOJTFZQMH-SSJHQANKSA-N 0 3 200.282 0.255 20 0 BCADHN C[C@H](NC(=O)/C=C/CN(C)C)c1ccon1 ZINC000492391701 388343196 /nfs/dbraw/zinc/34/31/96/388343196.db2.gz BMWCTERZATZSCF-MOVJSRMASA-N 0 3 223.276 0.970 20 0 BCADHN Cc1ocnc1CNC(=O)/C=C\CN(C)C ZINC000492386719 388343302 /nfs/dbraw/zinc/34/33/02/388343302.db2.gz XDDBMSKIEHZBAP-PLNGDYQASA-N 0 3 223.276 0.717 20 0 BCADHN C[C@H](O)[C@@H]1CCN(C(=O)/C=C\CN(C)C)C1 ZINC000492441668 388344458 /nfs/dbraw/zinc/34/44/58/388344458.db2.gz AAKUKQNDUYKURR-NRFYAWERSA-N 0 3 226.320 0.334 20 0 BCADHN C[C@@H]1OCC[C@@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000131755638 388351045 /nfs/dbraw/zinc/35/10/45/388351045.db2.gz ZUYBDOPXZASSQF-DCAQKATOSA-N 0 3 241.335 0.557 20 0 BCADHN COC[C@@H]1CCCN([C@@H](C)C(N)=O)C1 ZINC000226562405 388352167 /nfs/dbraw/zinc/35/21/67/388352167.db2.gz FUNIIBSXBIMVSV-DTWKUNHWSA-N 0 3 200.282 0.219 20 0 BCADHN CCO[C@@H]1C[C@](N)(C(=O)NC)C1(C)C ZINC000162516336 388353047 /nfs/dbraw/zinc/35/30/47/388353047.db2.gz DIICLAHGGONEFY-XCBNKYQSSA-N 0 3 200.282 0.265 20 0 BCADHN CN(C)CCN(C)c1ncnc(N)c1Cl ZINC000234233320 388353921 /nfs/dbraw/zinc/35/39/21/388353921.db2.gz ATQFRZAZAUKKKP-UHFFFAOYSA-N 0 3 229.715 0.710 20 0 BCADHN CN(C)CCN(C)C(=O)c1cccnc1F ZINC000234246956 388353975 /nfs/dbraw/zinc/35/39/75/388353975.db2.gz UHMRPVOICHGSJR-UHFFFAOYSA-N 0 3 225.267 0.854 20 0 BCADHN CCN(CCNC(=O)CC(F)(F)CN)C1CC1 ZINC000516578333 388355401 /nfs/dbraw/zinc/35/54/01/388355401.db2.gz FRJSQOXFNAEJLY-UHFFFAOYSA-N 0 3 249.305 0.571 20 0 BCADHN CNS(=O)(=O)CCNC1CC(C(C)C)C1 ZINC000234420348 388355696 /nfs/dbraw/zinc/35/56/96/388355696.db2.gz YWKWLPBZCNKJHG-UHFFFAOYSA-N 0 3 234.365 0.560 20 0 BCADHN C[NH2+][C@@H](C)CNC(=O)c1ccccc1[O-] ZINC000234429323 388355716 /nfs/dbraw/zinc/35/57/16/388355716.db2.gz LUDGBKMRLAFFII-QMMMGPOBSA-N 0 3 208.261 0.730 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@@H](CO)C1 ZINC000216422055 388356522 /nfs/dbraw/zinc/35/65/22/388356522.db2.gz LITRMMFSGWCLEA-NXEZZACHSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCC[C@@H](CO)C1 ZINC000216422100 388356541 /nfs/dbraw/zinc/35/65/41/388356541.db2.gz LITRMMFSGWCLEA-VHSXEESVSA-N 0 3 226.320 0.358 20 0 BCADHN Cc1cnccc1NC(=O)[C@@H]1NCC1(C)C ZINC000646430460 388358092 /nfs/dbraw/zinc/35/80/92/388358092.db2.gz RWYOZYINOQJXMC-JTQLQIEISA-N 0 3 219.288 0.748 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@H](C)[C@@H]1CO ZINC000227195043 388359415 /nfs/dbraw/zinc/35/94/15/388359415.db2.gz PWZXZKKQRFKBEK-ZJUUUORDSA-N 0 3 214.309 0.214 20 0 BCADHN O=C1NCC[C@H]1N[C@@H]1CCCSC1 ZINC000575525058 388359428 /nfs/dbraw/zinc/35/94/28/388359428.db2.gz YNLGCYNXOWRZSI-HTQZYQBOSA-N 0 3 200.307 0.360 20 0 BCADHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)C1CC1 ZINC000646446638 388359754 /nfs/dbraw/zinc/35/97/54/388359754.db2.gz KLVAOOJZIAUTPU-NEPJUHHUSA-N 0 3 238.331 0.718 20 0 BCADHN CCC(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000646449495 388360179 /nfs/dbraw/zinc/36/01/79/388360179.db2.gz NURJUJZHDQPVFU-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)C(=O)N(C)C ZINC000163333063 388360424 /nfs/dbraw/zinc/36/04/24/388360424.db2.gz GZDSPXYKEVFVED-CIUDSAMLSA-N 0 3 214.309 0.212 20 0 BCADHN O=C1NCC[C@@H]1CCN1CC[C@@](O)(C(F)F)C1 ZINC000572613938 388360465 /nfs/dbraw/zinc/36/04/65/388360465.db2.gz RCTNIFNZKMDUMA-KCJUWKMLSA-N 0 3 248.273 0.215 20 0 BCADHN CC[C@@H](C)[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000572648299 388362762 /nfs/dbraw/zinc/36/27/62/388362762.db2.gz XCPMNGSPYXHGQJ-WYUUTHIRSA-N 0 3 242.363 0.802 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NCC(=O)NCC1CC1 ZINC000163445487 388363220 /nfs/dbraw/zinc/36/32/20/388363220.db2.gz RBCOHJJNHFIZCQ-NXEZZACHSA-N 0 3 226.320 0.262 20 0 BCADHN C[C@@H](CNC(=O)c1cccnc1F)N(C)C ZINC000235105990 388365201 /nfs/dbraw/zinc/36/52/01/388365201.db2.gz JWNOSKXUDLEFFU-QMMMGPOBSA-N 0 3 225.267 0.901 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@H]2NCC2(C)C)CC[C@@H]1C ZINC000646486040 388365896 /nfs/dbraw/zinc/36/58/96/388365896.db2.gz RWLZXBJWIGEZED-HBNTYKKESA-N 0 3 240.347 0.868 20 0 BCADHN COC1(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000648796061 388366756 /nfs/dbraw/zinc/36/67/56/388366756.db2.gz NNTWIQMMKZWRFL-ZJUUUORDSA-N 0 3 226.320 0.764 20 0 BCADHN CC/C=C\CNC[C@H](C)S(C)(=O)=O ZINC000572714543 388370102 /nfs/dbraw/zinc/37/01/02/388370102.db2.gz OIOJVHGPCPLHJJ-UDIARPCQSA-N 0 3 205.323 0.975 20 0 BCADHN CC/C=C/CNC[C@H](C)S(C)(=O)=O ZINC000572714541 388370248 /nfs/dbraw/zinc/37/02/48/388370248.db2.gz OIOJVHGPCPLHJJ-CYNONHLPSA-N 0 3 205.323 0.975 20 0 BCADHN CC(C)NC(=O)NCCN1C[C@@H](O)C[C@@H]1C ZINC000572757587 388373622 /nfs/dbraw/zinc/37/36/22/388373622.db2.gz RDXCSZHBONYKGD-UWVGGRQHSA-N 0 3 229.324 0.149 20 0 BCADHN CC[C@H](NCCC(N)=O)[C@H](O)C(F)(F)F ZINC000572762705 388374434 /nfs/dbraw/zinc/37/44/34/388374434.db2.gz BDXLNORMKWYVOG-FSPLSTOPSA-N 0 3 228.214 0.153 20 0 BCADHN CCc1cnc(CNC(=O)[C@@H]2NCC2(C)C)o1 ZINC000646528171 388376616 /nfs/dbraw/zinc/37/66/16/388376616.db2.gz YMDVECXMOILCAW-JTQLQIEISA-N 0 3 237.303 0.851 20 0 BCADHN CCN(C)CCNc1nc(C(N)=O)cs1 ZINC000292399482 388380328 /nfs/dbraw/zinc/38/03/28/388380328.db2.gz CMIBXVCMXFNNON-UHFFFAOYSA-N 0 3 228.321 0.606 20 0 BCADHN CC(C)COC[C@H](O)CNCc1cncn1C ZINC000236632565 388381521 /nfs/dbraw/zinc/38/15/21/388381521.db2.gz KNGZNPOVQYPBEY-GFCCVEGCSA-N 0 3 241.335 0.543 20 0 BCADHN CCC(CC)(CO)C(=O)N[C@@H](C)CN(C)C ZINC000572854903 388382109 /nfs/dbraw/zinc/38/21/09/388382109.db2.gz QIORISFETPSRHY-JTQLQIEISA-N 0 3 230.352 0.851 20 0 BCADHN CCCC[C@H](N)C(=O)N(C)C[C@H]1CCOC1 ZINC000236757987 388382556 /nfs/dbraw/zinc/38/25/56/388382556.db2.gz DMMLFCBNYXNCCM-MNOVXSKESA-N 0 3 228.336 0.999 20 0 BCADHN Cc1cnc([C@H](C)N2C[C@H](O)[C@@H](N(C)C)C2)o1 ZINC000519759454 256658893 /nfs/dbraw/zinc/65/88/93/256658893.db2.gz NNDROTAVTKGXPY-DCAQKATOSA-N 0 3 239.319 0.651 20 0 BCADHN CCC[C@H](N)C(=O)N1CCCC[C@H]1CC(N)=O ZINC000236801422 388383862 /nfs/dbraw/zinc/38/38/62/388383862.db2.gz HFGNZWVDVAQKKH-UWVGGRQHSA-N 0 3 241.335 0.370 20 0 BCADHN CC1(C)[C@H](N[C@@H]2CCNC2=O)[C@@H]2CCCO[C@H]21 ZINC000519803220 256660384 /nfs/dbraw/zinc/66/03/84/256660384.db2.gz OUNXGERIOVXYSJ-LNFKQOIKSA-N 0 3 238.331 0.668 20 0 BCADHN CCOC(=O)CC[C@@H](C)NC(=O)[C@@H](N)CC ZINC000236824297 388384952 /nfs/dbraw/zinc/38/49/52/388384952.db2.gz KJJVQEPSDHKBNQ-BDAKNGLRSA-N 0 3 230.308 0.572 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H](CCO)CC(C)C ZINC000236908825 388385619 /nfs/dbraw/zinc/38/56/19/388385619.db2.gz MCLGFLNGYWTKPP-MNOVXSKESA-N 0 3 230.352 0.885 20 0 BCADHN CCO[C@H](C)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000236908921 388385694 /nfs/dbraw/zinc/38/56/94/388385694.db2.gz LAPVOASQCDTALD-LPEHRKFASA-N 0 3 214.309 0.620 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1COc2ccccc2C1 ZINC000236948634 388386693 /nfs/dbraw/zinc/38/66/93/388386693.db2.gz DTPGHLBYXGZKQO-MNOVXSKESA-N 0 3 234.299 0.844 20 0 BCADHN CCOC(=O)[C@H](NC(=O)[C@@H](N)CC)[C@@H](C)CC ZINC000236968973 388387134 /nfs/dbraw/zinc/38/71/34/388387134.db2.gz YISGLSMEHFIWLZ-LPEHRKFASA-N 0 3 244.335 0.818 20 0 BCADHN CCC[C@@](C)(NC(=O)[C@@H](N)CC)C(=O)OC ZINC000236962051 388387276 /nfs/dbraw/zinc/38/72/76/388387276.db2.gz XIBIVRKBNPTUEI-GZMMTYOYSA-N 0 3 230.308 0.572 20 0 BCADHN CC[C@H](NC(=O)CNC)c1ccncc1 ZINC000237002080 388387451 /nfs/dbraw/zinc/38/74/51/388387451.db2.gz MCPYVVVDHBADKP-JTQLQIEISA-N 0 3 207.277 0.868 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)C[C@H]1CCOC1 ZINC000236992284 388388045 /nfs/dbraw/zinc/38/80/45/388388045.db2.gz VPWWYTUWPZBKCY-AXFHLTTASA-N 0 3 228.336 0.855 20 0 BCADHN CN1C(=O)CC[C@@H]1C(=O)Nc1cccc(CN)c1 ZINC000646579419 388388308 /nfs/dbraw/zinc/38/83/08/388388308.db2.gz GKRQVZPETQQPGZ-LLVKDONJSA-N 0 3 247.298 0.705 20 0 BCADHN Cc1ccc(N(C)C(=O)[C@H]2C[C@H](O)CN2)cc1 ZINC000237080432 388390016 /nfs/dbraw/zinc/39/00/16/388390016.db2.gz YJSSQBPXKFHFEP-NWDGAFQWSA-N 0 3 234.299 0.681 20 0 BCADHN COC(=O)C(C)(C)CNC(=O)C(C)(C)N ZINC000237111274 388390121 /nfs/dbraw/zinc/39/01/21/388390121.db2.gz NCNSTAZXNIUMDF-UHFFFAOYSA-N 0 3 216.281 0.039 20 0 BCADHN CCc1c(C(=O)N2CCCNCC2)cnn1C ZINC000646598812 388392851 /nfs/dbraw/zinc/39/28/51/388392851.db2.gz QBHYOKYUHFXMEE-UHFFFAOYSA-N 0 3 236.319 0.418 20 0 BCADHN Cc1ccc([C@@H](O)CNC(=O)[C@@H](C)N)cc1 ZINC000237464876 388394613 /nfs/dbraw/zinc/39/46/13/388394613.db2.gz KDEPDRFBJXEWKJ-KOLCDFICSA-N 0 3 222.288 0.492 20 0 BCADHN CNCc1cccc(NC(=O)C2(C(N)=O)CC2)c1 ZINC000646626373 388397248 /nfs/dbraw/zinc/39/72/48/388397248.db2.gz OBFWTNNDCLKJFP-UHFFFAOYSA-N 0 3 247.298 0.610 20 0 BCADHN CN1CCC(O)(CNC(=O)/C=C/C2CC2)CC1 ZINC000492091445 388334539 /nfs/dbraw/zinc/33/45/39/388334539.db2.gz UBUKKUSDKMWQKL-SNAWJCMRSA-N 0 3 238.331 0.526 20 0 BCADHN Cc1cc(NC(=O)/C=C\CN(C)C)c(=O)n(C)c1 ZINC000492114845 388335546 /nfs/dbraw/zinc/33/55/46/388335546.db2.gz BZDCUKOXZZSJQI-WAYWQWQTSA-N 0 3 249.314 0.750 20 0 BCADHN COC(C)(C)CN(C)C(=O)/C=C\CN(C)C ZINC000492123642 388335602 /nfs/dbraw/zinc/33/56/02/388335602.db2.gz BDGNBKRFFTUTMZ-FPLPWBNLSA-N 0 3 228.336 0.988 20 0 BCADHN C[C@@H](CN(C)CCO)NC(=O)OC(C)(C)C ZINC000492139864 388336347 /nfs/dbraw/zinc/33/63/47/388336347.db2.gz ZPUAAICDIFVUBC-VIFPVBQESA-N 0 3 232.324 0.824 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)/C=C\C1CCC1 ZINC000492188272 388337815 /nfs/dbraw/zinc/33/78/15/388337815.db2.gz BSCNDKNLFOQWNX-WSROAFLRSA-N 0 3 240.347 0.772 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@@H]1COC(C)(C)O1 ZINC000492184719 388337830 /nfs/dbraw/zinc/33/78/30/388337830.db2.gz VRJZCDVFCSCFDW-BRAIEQGRSA-N 0 3 242.319 0.372 20 0 BCADHN COC[C@@H](C)CN1CCN2C(=O)OCC[C@@H]2C1 ZINC000492230339 388338715 /nfs/dbraw/zinc/33/87/15/388338715.db2.gz UDVKXCPDQRKCGZ-WDEREUQCSA-N 0 3 242.319 0.795 20 0 BCADHN C[C@@H](CN1CC[C@H](O)C1)NC(=O)OC(C)(C)C ZINC000492259349 388339681 /nfs/dbraw/zinc/33/96/81/388339681.db2.gz PNBYFHKRFTZYMH-UWVGGRQHSA-N 0 3 244.335 0.966 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC[C@@H]1C(C)(C)O ZINC000492277271 388340249 /nfs/dbraw/zinc/34/02/49/388340249.db2.gz NVMDVCNBMKZOFZ-BPOWMSRESA-N 0 3 240.347 0.866 20 0 BCADHN Cn1cc2c(n1)CCC[C@@H]2NCCCO ZINC000330363590 388443795 /nfs/dbraw/zinc/44/37/95/388443795.db2.gz KWSIBLURUCSBTG-JTQLQIEISA-N 0 3 209.293 0.770 20 0 BCADHN CO[C@@H](C)C(=O)NC(C)(C)CN(C)C ZINC000308616523 388444852 /nfs/dbraw/zinc/44/48/52/388444852.db2.gz GSMNSGYMGDWTEU-QMMMGPOBSA-N 0 3 202.298 0.478 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000393907266 388446138 /nfs/dbraw/zinc/44/61/38/388446138.db2.gz OHCMFIDQQSSWLK-WCBMZHEXSA-N 0 3 243.332 0.241 20 0 BCADHN COc1ccc(CNC(C)(C)CN(C)C)nn1 ZINC000308634876 388446522 /nfs/dbraw/zinc/44/65/22/388446522.db2.gz GNYXNETYNVDJAS-UHFFFAOYSA-N 0 3 238.335 0.915 20 0 BCADHN Cc1nn(C)cc1CN[C@H]1CO[C@H](C)C1 ZINC000335426486 388450959 /nfs/dbraw/zinc/45/09/59/388450959.db2.gz WSKUPKNNHKKJKB-LDYMZIIASA-N 0 3 209.293 0.996 20 0 BCADHN CC(C)(C)NC(=O)CN1CC[C@H](O)C1(C)C ZINC000335624539 388452586 /nfs/dbraw/zinc/45/25/86/388452586.db2.gz IAMWHIVPZGUWMO-VIFPVBQESA-N 0 3 228.336 0.746 20 0 BCADHN C[C@@H]1[C@H](CO)CCN1CC(=O)N1CCCC1 ZINC000335711326 388453881 /nfs/dbraw/zinc/45/38/81/388453881.db2.gz JNCHIPLDBXDMHZ-MNOVXSKESA-N 0 3 226.320 0.312 20 0 BCADHN CCN(CC)CC(=O)NCCn1cccc1 ZINC000176693820 388458020 /nfs/dbraw/zinc/45/80/20/388458020.db2.gz DNGQLVIIVBLLLU-UHFFFAOYSA-N 0 3 223.320 0.946 20 0 BCADHN COC(=O)CCN1CC[C@H](O)C(C)(C)C1 ZINC000336658929 388460804 /nfs/dbraw/zinc/46/08/04/388460804.db2.gz BIGGGMFSODKXCO-VIFPVBQESA-N 0 3 215.293 0.642 20 0 BCADHN C[C@@H](CNC(=O)c1cn2c(n1)CCC2)N(C)C ZINC000649226463 388462699 /nfs/dbraw/zinc/46/26/99/388462699.db2.gz ZNCLMIBRAUEIAU-VIFPVBQESA-N 0 3 236.319 0.509 20 0 BCADHN COC[C@@H](NC(=O)[C@H](C)NC1CC1)C1CC1 ZINC000397354238 388462846 /nfs/dbraw/zinc/46/28/46/388462846.db2.gz JQSBRCHOIIFDQG-GZMMTYOYSA-N 0 3 226.320 0.668 20 0 BCADHN COC[C@H](NC(=O)[C@@H](C)NC1CC1)C1CC1 ZINC000397354241 388463169 /nfs/dbraw/zinc/46/31/69/388463169.db2.gz JQSBRCHOIIFDQG-KCJUWKMLSA-N 0 3 226.320 0.668 20 0 BCADHN CS[C@H](C)CNC(=O)[C@@H](N)CC(F)F ZINC000336702255 388465061 /nfs/dbraw/zinc/46/50/61/388465061.db2.gz YUFQGODTFXTCSJ-RITPCOANSA-N 0 3 226.292 0.837 20 0 BCADHN CCC(=O)CNC(=O)[C@@H]1CCN(C)[C@@H]1C ZINC000648845543 388467416 /nfs/dbraw/zinc/46/74/16/388467416.db2.gz GIYSMBOJVMDRTQ-PSASIEDQSA-N 0 3 212.293 0.422 20 0 BCADHN COC[C@H](O)CN1CCN(C2CCC2)CC1 ZINC000336891390 388470742 /nfs/dbraw/zinc/47/07/42/388470742.db2.gz IOBOOSDPBCBBPD-GFCCVEGCSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@H](N[C@@H]1CCC(=O)N(C)C1=O)[C@H]1CCCO1 ZINC000336732580 388471454 /nfs/dbraw/zinc/47/14/54/388471454.db2.gz ZSOKRZZKAPJYDO-IVZWLZJFSA-N 0 3 240.303 0.291 20 0 BCADHN COC1(C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000648864016 388473586 /nfs/dbraw/zinc/47/35/86/388473586.db2.gz JHFLIUWOOMPLJR-UHFFFAOYSA-N 0 3 226.320 0.718 20 0 BCADHN Cc1ccc(CN[C@@H]2COC[C@H]2O)cc1F ZINC000134217499 388474772 /nfs/dbraw/zinc/47/47/72/388474772.db2.gz UBIWPKQEUGJYSJ-VXGBXAGGSA-N 0 3 225.263 0.983 20 0 BCADHN CCN1CCC[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC000174645257 388408762 /nfs/dbraw/zinc/40/87/62/388408762.db2.gz RQEIECQTIASDHL-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN Cc1cc(C(=O)NCCN2CC[C@@H](C)C2)[nH]n1 ZINC000524775721 388409648 /nfs/dbraw/zinc/40/96/48/388409648.db2.gz ZTAWHWVFDGSIJL-SECBINFHSA-N 0 3 236.319 0.790 20 0 BCADHN CCCS(=O)(=O)NCCN1CC[C@@H](C)C1 ZINC000524790695 388410559 /nfs/dbraw/zinc/41/05/59/388410559.db2.gz WCFJWGPEAWOWJT-SNVBAGLBSA-N 0 3 234.365 0.658 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@H](C2CCOCC2)C1 ZINC000372212974 388410777 /nfs/dbraw/zinc/41/07/77/388410777.db2.gz SSJCOAHGHWEQAN-RYUDHWBXSA-N 0 3 240.347 0.999 20 0 BCADHN COc1nccc(CNCCN2CCCC2)n1 ZINC000295477167 388410828 /nfs/dbraw/zinc/41/08/28/388410828.db2.gz RVWBIVVIIDFKDG-UHFFFAOYSA-N 0 3 236.319 0.671 20 0 BCADHN CC(C(=O)N1CCC1(C)C)S(C)(=O)=O ZINC000524819039 388411096 /nfs/dbraw/zinc/41/10/96/388411096.db2.gz XZHYOMQIOGNCPE-ZETCQYMHSA-N 0 3 219.306 0.430 20 0 BCADHN OC[C@@H]1CN(C[C@H](O)CC2CCCC2)C[C@@H]1O ZINC000316511705 388415394 /nfs/dbraw/zinc/41/53/94/388415394.db2.gz NIYGTKUWOVQEIZ-XQQFMLRXSA-N 0 3 243.347 0.213 20 0 BCADHN Cc1ccc(F)cc1CN1C[C@@H](O)[C@H](CO)C1 ZINC000316531260 388415482 /nfs/dbraw/zinc/41/54/82/388415482.db2.gz PRFORUQRDPIBHM-WCQYABFASA-N 0 3 239.290 0.919 20 0 BCADHN Cc1ccc(F)cc1CN1C[C@H](O)[C@H](CO)C1 ZINC000316531258 388415835 /nfs/dbraw/zinc/41/58/35/388415835.db2.gz PRFORUQRDPIBHM-AAEUAGOBSA-N 0 3 239.290 0.919 20 0 BCADHN COc1nccc(CN[C@@H](C)CN(C)C)n1 ZINC000295963511 388415944 /nfs/dbraw/zinc/41/59/44/388415944.db2.gz IBFMYMSLDHZWKE-VIFPVBQESA-N 0 3 224.308 0.525 20 0 BCADHN NC(=O)CCNCCNC(=O)CC1CCCC1 ZINC000573110909 388421186 /nfs/dbraw/zinc/42/11/86/388421186.db2.gz IKHHHBPFTUYUPB-UHFFFAOYSA-N 0 3 241.335 0.148 20 0 BCADHN C[C@H](C(=O)NC[C@H](C)O)N1[C@H](C)CC[C@@H]1C ZINC000245513753 388421326 /nfs/dbraw/zinc/42/13/26/388421326.db2.gz DNLIPGDIJZOMBC-ZRUFSTJUSA-N 0 3 228.336 0.745 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245668516 388427038 /nfs/dbraw/zinc/42/70/38/388427038.db2.gz BQFYALLKBGWIES-GVXVVHGQSA-N 0 3 238.331 0.502 20 0 BCADHN CC(C)[C@@H]1CCN([C@@H]2CC(=O)NC2=O)C1 ZINC000573216767 388432846 /nfs/dbraw/zinc/43/28/46/388432846.db2.gz CJVWGYPYQWZZBW-RKDXNWHRSA-N 0 3 210.277 0.379 20 0 BCADHN C[C@H]1CCN(CCNS(C)(=O)=O)C[C@H]1C ZINC000245935326 388434761 /nfs/dbraw/zinc/43/47/61/388434761.db2.gz QAHXBOYMEPNEHE-VHSXEESVSA-N 0 3 234.365 0.514 20 0 BCADHN CO[C@@H]1C[C@H](N[C@H](C)C(N)=O)C12CCC2 ZINC000308346182 388436647 /nfs/dbraw/zinc/43/66/47/388436647.db2.gz PNBLPSIQUSCLSC-HRDYMLBCSA-N 0 3 212.293 0.407 20 0 BCADHN CC[C@H](O)CN1CCC(F)(F)[C@H](CO)C1 ZINC000339207137 388480133 /nfs/dbraw/zinc/48/01/33/388480133.db2.gz FYGMSUXQBXRFND-IUCAKERBSA-N 0 3 223.263 0.707 20 0 BCADHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)C1CC1 ZINC000246094576 388437844 /nfs/dbraw/zinc/43/78/44/388437844.db2.gz HAHNQUKKTHRMSR-MWLCHTKSSA-N 0 3 246.376 0.751 20 0 BCADHN C/C(Cl)=C\CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000528507406 388537434 /nfs/dbraw/zinc/53/74/34/388537434.db2.gz GOURWTPODKJMOH-DQRKKKBRSA-N 0 3 218.728 0.736 20 0 BCADHN COC[C@@H]1CCN1C[C@@H](O)CC1(O)CCC1 ZINC000528510657 388538643 /nfs/dbraw/zinc/53/86/43/388538643.db2.gz DNZDMRXARJCVAS-QWRGUYRKSA-N 0 3 229.320 0.373 20 0 BCADHN COC[C@H]1CCN1C[C@H](O)CC1(O)CCC1 ZINC000528510653 388538935 /nfs/dbraw/zinc/53/89/35/388538935.db2.gz DNZDMRXARJCVAS-GHMZBOCLSA-N 0 3 229.320 0.373 20 0 BCADHN C[C@H]1[C@@H](N[C@@H]2CCSC2)CCS1(=O)=O ZINC000517191086 388541399 /nfs/dbraw/zinc/54/13/99/388541399.db2.gz MLJZYVURGFDGSV-YIZRAAEISA-N 0 3 235.374 0.657 20 0 BCADHN CC(C)(C)C(=O)CCN1C[C@@H](CO)[C@H](CO)C1 ZINC000528599833 388550542 /nfs/dbraw/zinc/55/05/42/388550542.db2.gz VGQDIMZAMOIBAS-QWRGUYRKSA-N 0 3 243.347 0.524 20 0 BCADHN Cc1cnccc1CN1CCC[C@](O)(CO)C1 ZINC000528525123 388541824 /nfs/dbraw/zinc/54/18/24/388541824.db2.gz YDSRSDXHOMFJSL-CYBMUJFWSA-N 0 3 236.315 0.709 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@]1(C)CCOC1 ZINC000353664263 388542956 /nfs/dbraw/zinc/54/29/56/388542956.db2.gz ODIARQOKNMFXHH-ONGXEEELSA-N 0 3 246.376 0.610 20 0 BCADHN CC[C@H](COC)N[C@H]1CCS(=O)(=O)[C@@H]1C ZINC000353847833 388544104 /nfs/dbraw/zinc/54/41/04/388544104.db2.gz ULSYHQYHUCWVBK-BBBLOLIVSA-N 0 3 235.349 0.577 20 0 BCADHN CCOC[C@H](O)CNCc1ccnn1C(C)C ZINC000354503770 388545287 /nfs/dbraw/zinc/54/52/87/388545287.db2.gz ORTQGQIALLWWCE-GFCCVEGCSA-N 0 3 241.335 0.951 20 0 BCADHN CCN1CCN(CCN2CCCC2=O)CC1 ZINC000079797570 388546660 /nfs/dbraw/zinc/54/66/60/388546660.db2.gz CJMPQXQYKXJTPD-UHFFFAOYSA-N 0 3 225.336 0.246 20 0 BCADHN NC(=O)CCNCCOc1ccc(Cl)cn1 ZINC000517359734 388546807 /nfs/dbraw/zinc/54/68/07/388546807.db2.gz OJGBVUWWPKNGQZ-UHFFFAOYSA-N 0 3 243.694 0.579 20 0 BCADHN Cc1cncn1CC(=O)NC[C@@H]1CCCN1C ZINC000528562406 388547530 /nfs/dbraw/zinc/54/75/30/388547530.db2.gz PSPJTSLFBCKMGL-NSHDSACASA-N 0 3 236.319 0.402 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@H](O)CSC ZINC000517352200 388548178 /nfs/dbraw/zinc/54/81/78/388548178.db2.gz NEQQYXDYLCLKLG-MNOVXSKESA-N 0 3 232.393 0.736 20 0 BCADHN CCC[C@]1(NC[C@@](C)(O)C(=O)OC)CCOC1 ZINC000356285966 388548330 /nfs/dbraw/zinc/54/83/30/388548330.db2.gz WEBYSDNRTYKDCZ-NEPJUHHUSA-N 0 3 245.319 0.459 20 0 BCADHN Cc1nocc1CNC[C@]1(O)CCOC1 ZINC000339326506 388482265 /nfs/dbraw/zinc/48/22/65/388482265.db2.gz ZUZOEAPPMYTGBP-SNVBAGLBSA-N 0 3 212.249 0.224 20 0 BCADHN CCC[C@]1(NC[C@](C)(O)C(=O)OC)CCOC1 ZINC000356285968 388548476 /nfs/dbraw/zinc/54/84/76/388548476.db2.gz WEBYSDNRTYKDCZ-RYUDHWBXSA-N 0 3 245.319 0.459 20 0 BCADHN Cc1cnccc1CCN(C)CCOCCO ZINC000397642964 388487294 /nfs/dbraw/zinc/48/72/94/388487294.db2.gz QXQFRIJNRJHNGH-UHFFFAOYSA-N 0 3 238.331 0.873 20 0 BCADHN CCn1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000648911429 388488678 /nfs/dbraw/zinc/48/86/78/388488678.db2.gz LXUTYQXNTJFTIO-CMPLNLGQSA-N 0 3 248.330 0.679 20 0 BCADHN CCN(CC)CC(=O)NCC(C)(C)CCO ZINC000177753038 388489851 /nfs/dbraw/zinc/48/98/51/388489851.db2.gz JTVYPZDHRQPXMH-UHFFFAOYSA-N 0 3 230.352 0.853 20 0 BCADHN C[C@@H](F)CCN[C@@H]1CCCS(=O)(=O)C1 ZINC000340463481 388490879 /nfs/dbraw/zinc/49/08/79/388490879.db2.gz QQFDBQJOVVGBTH-RKDXNWHRSA-N 0 3 223.313 0.901 20 0 BCADHN CC(C)(CO)C(=O)NC1CCN(C2CC2)CC1 ZINC000547927406 388495230 /nfs/dbraw/zinc/49/52/30/388495230.db2.gz IYUYADYYCIBJRP-UHFFFAOYSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1cnn(CCN2C[C@H](C)[C@H](O)C2)c1 ZINC000341918381 388496064 /nfs/dbraw/zinc/49/60/64/388496064.db2.gz FHUIMBSVICLSAF-WDEREUQCSA-N 0 3 209.293 0.504 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)CCC(C)(C)O ZINC000342665418 388497993 /nfs/dbraw/zinc/49/79/93/388497993.db2.gz SWGDWAJPBGDFAD-YMTOWFKASA-N 0 3 221.366 0.846 20 0 BCADHN CN(CC(=O)N1CCCCC1)C[C@@H]1CCOC1 ZINC000178345146 388498681 /nfs/dbraw/zinc/49/86/81/388498681.db2.gz LPEOSSCSDRZLBX-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN Cc1noc(CCCN2C[C@@H](O)C3(CC3)C2)n1 ZINC000547971105 388499553 /nfs/dbraw/zinc/49/95/53/388499553.db2.gz NTRDLKPXLVXHAU-SNVBAGLBSA-N 0 3 237.303 0.767 20 0 BCADHN CC[C@H](C)NC(=O)CN(C)C[C@@H]1CCOC1 ZINC000178367947 388499656 /nfs/dbraw/zinc/49/96/56/388499656.db2.gz RXARZYSBVNWVNB-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CN(CC(=O)NCC1CC1)C[C@@H]1CCOC1 ZINC000178360028 388499672 /nfs/dbraw/zinc/49/96/72/388499672.db2.gz HWSYJPYNTINCPY-NSHDSACASA-N 0 3 226.320 0.481 20 0 BCADHN CNC(=O)CCN1CCS[C@@H]2COCC[C@@H]21 ZINC000135559097 388499967 /nfs/dbraw/zinc/49/99/67/388499967.db2.gz GZSALZWFTRSOHA-VHSXEESVSA-N 0 3 244.360 0.329 20 0 BCADHN COC(=O)[C@@](C)(O)CN(C)[C@H]1CCCOC1 ZINC000343930806 388504026 /nfs/dbraw/zinc/50/40/26/388504026.db2.gz DZRSESHTNMCITM-ONGXEEELSA-N 0 3 231.292 0.021 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)NCC(C)(C)C ZINC000178995614 388507930 /nfs/dbraw/zinc/50/79/30/388507930.db2.gz CCCIHSYUHSPDIW-LBPRGKRZSA-N 0 3 245.367 0.644 20 0 BCADHN Cc1n[nH]cc1C(=O)NCC1(N(C)C)CC1 ZINC000397880767 388507952 /nfs/dbraw/zinc/50/79/52/388507952.db2.gz YMLZAZUFNHAVHS-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000516864739 256804595 /nfs/dbraw/zinc/80/45/95/256804595.db2.gz FMBRQKZFOLNPSG-WOPDTQHZSA-N 0 3 227.304 0.437 20 0 BCADHN C/C(Cl)=C\CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000528515501 388508883 /nfs/dbraw/zinc/50/88/83/388508883.db2.gz BIHYSZIGLAXGKW-GYCWBDGOSA-N 0 3 228.679 0.333 20 0 BCADHN COc1cc(F)cc(CNC[C@H](O)CO)c1 ZINC000312265361 388509617 /nfs/dbraw/zinc/50/96/17/388509617.db2.gz DHQKUYMGODPGKH-JTQLQIEISA-N 0 3 229.251 0.277 20 0 BCADHN CC[C@@]1(O)CCN([C@H]2CCCN(C)C2=O)C1 ZINC000548629782 388549398 /nfs/dbraw/zinc/54/93/98/388549398.db2.gz UPKUSXXBUQREBD-CMPLNLGQSA-N 0 3 226.320 0.454 20 0 BCADHN c1cn2c(n1)[C@@H](NC[C@H]1CCOC1)CC2 ZINC000345340280 388510922 /nfs/dbraw/zinc/51/09/22/388510922.db2.gz BVWARMVDAKNYDV-ZJUUUORDSA-N 0 3 207.277 0.954 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC[C@@](C)(O)C2)C1 ZINC000516672306 388512862 /nfs/dbraw/zinc/51/28/62/388512862.db2.gz LLJMZLWSYYSWRM-ZYHUDNBSSA-N 0 3 226.320 0.312 20 0 BCADHN CCO[C@@H](CC)C(=O)N[C@@H](C)CN(C)C ZINC000516637853 388512875 /nfs/dbraw/zinc/51/28/75/388512875.db2.gz FMENOFVPKGHVHI-UWVGGRQHSA-N 0 3 216.325 0.868 20 0 BCADHN CO[C@@H](CNC(=O)[C@@H](N)CC(F)F)C(C)C ZINC000345689163 388514848 /nfs/dbraw/zinc/51/48/48/388514848.db2.gz JKTPLFNHBLMSRM-YUMQZZPRSA-N 0 3 238.278 0.756 20 0 BCADHN CN(C)S(=O)(=O)NCCN1CCCCCC1 ZINC000078868329 388515257 /nfs/dbraw/zinc/51/52/57/388515257.db2.gz PBDHCPGAGJDXFS-UHFFFAOYSA-N 0 3 249.380 0.258 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCC[C@H](CO)CC1 ZINC000378835430 388518291 /nfs/dbraw/zinc/51/82/91/388518291.db2.gz MBFNQYSWJBSPAT-QWRGUYRKSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1cc(C)n(CCN(CCO)CCCO)n1 ZINC000346377235 388519652 /nfs/dbraw/zinc/51/96/52/388519652.db2.gz LSOVZIWELRNBJU-UHFFFAOYSA-N 0 3 241.335 0.177 20 0 BCADHN C[C@@H]1COCCCN1C[C@H](O)CC1(O)CCC1 ZINC000528423702 388521982 /nfs/dbraw/zinc/52/19/82/388521982.db2.gz JTUFIVOMDVVZPB-VXGBXAGGSA-N 0 3 243.347 0.763 20 0 BCADHN CCO[C@@H]1COCC[C@@H]1NCC(=O)N1CCC1 ZINC000548211602 388522158 /nfs/dbraw/zinc/52/21/58/388522158.db2.gz XFQHBRWTYFNMEM-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN C[C@@H](NC(=O)C1(N)CCCC1)c1ncon1 ZINC000347639097 388523001 /nfs/dbraw/zinc/52/30/01/388523001.db2.gz CEZSJPRBVQJVRO-SSDOTTSWSA-N 0 3 224.264 0.518 20 0 BCADHN COC[C@H](NC(=O)[C@H](N)CC(F)F)C1CC1 ZINC000347674576 388523145 /nfs/dbraw/zinc/52/31/45/388523145.db2.gz SAJXPAWWAQFMGN-SFYZADRCSA-N 0 3 236.262 0.510 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C(C)(C)CO)CN1C1CC1 ZINC000548256793 388523601 /nfs/dbraw/zinc/52/36/01/388523601.db2.gz FCLSWRFEBRKUMZ-UWVGGRQHSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)CO)CN1C1CC1 ZINC000548256792 388523636 /nfs/dbraw/zinc/52/36/36/388523636.db2.gz FCLSWRFEBRKUMZ-NXEZZACHSA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@@](C)(CO)C(=O)NC[C@@H]1CCCN1C ZINC000520836202 388524495 /nfs/dbraw/zinc/52/44/95/388524495.db2.gz IYNMLBSIKKYBPC-JQWIXIFHSA-N 0 3 228.336 0.605 20 0 BCADHN Cn1nncc1C(=O)Nc1ccc2c(c1)CNC2 ZINC000516921770 388524868 /nfs/dbraw/zinc/52/48/68/388524868.db2.gz LYEOGKOXSXEMHM-UHFFFAOYSA-N 0 3 243.270 0.671 20 0 BCADHN O=C(CN1CCC[C@H](CO)CC1)NC1CC1 ZINC000378858536 388525663 /nfs/dbraw/zinc/52/56/63/388525663.db2.gz ZJPNMKLLCCURNY-JTQLQIEISA-N 0 3 226.320 0.359 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCc3n[nH]cc3C2)C1 ZINC000516935935 388526877 /nfs/dbraw/zinc/52/68/77/388526877.db2.gz NWSRRIXSVJDTDU-JTQLQIEISA-N 0 3 248.330 0.636 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCN(C)C2=O)CC[C@H]1O ZINC000548302581 388527013 /nfs/dbraw/zinc/52/70/13/388527013.db2.gz KSCCRCWKKUQNNM-GMTAPVOTSA-N 0 3 226.320 0.310 20 0 BCADHN CN(C[C@@H](O)CC1(O)CCC1)C1CC(O)C1 ZINC000528446205 388527873 /nfs/dbraw/zinc/52/78/73/388527873.db2.gz ANVNUHSNVSEZCM-ILDUYXDCSA-N 0 3 229.320 0.108 20 0 BCADHN COC[C@@H](C)OC[C@@H](O)CN[C@@H]1CCC[C@@H]1F ZINC000516965934 388528668 /nfs/dbraw/zinc/52/86/68/388528668.db2.gz RNSHKTIAEUKFIN-NOOOWODRSA-N 0 3 249.326 0.879 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CCCO2)C1 ZINC000520836802 388528886 /nfs/dbraw/zinc/52/88/86/388528886.db2.gz ZVAPGXUFMMBYSG-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)N(C)CCCCO ZINC000349924060 388529098 /nfs/dbraw/zinc/52/90/98/388529098.db2.gz ZPXDTVNSKYHPJY-GHMZBOCLSA-N 0 3 230.352 0.994 20 0 BCADHN CC1(C2CC2)CCN([C@@H]2CC(=O)NC2=O)CC1 ZINC000516977963 388530336 /nfs/dbraw/zinc/53/03/36/388530336.db2.gz NLXRUELJJIPZOU-SNVBAGLBSA-N 0 3 236.315 0.914 20 0 BCADHN C[C@H](O)[C@H]1CCCN([C@@H]2CCN(C)C2=O)C1 ZINC000136316474 388530540 /nfs/dbraw/zinc/53/05/40/388530540.db2.gz SZSWQWPLRQSBRJ-GARJFASQSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000261545090 135186535 /nfs/dbraw/zinc/18/65/35/135186535.db2.gz JOSYVDZULWTARY-SECBINFHSA-N 0 3 212.293 0.233 20 0 BCADHN CCOC(=O)COCCN1C[C@H](O)[C@@H](CC)C1 ZINC000351710747 388532887 /nfs/dbraw/zinc/53/28/87/388532887.db2.gz DXJFBVUYOSZLTG-QWRGUYRKSA-N 0 3 245.319 0.269 20 0 BCADHN c1nnc2c(N[C@H]3CCN(C4CC4)C3)nccn12 ZINC000079469549 388534810 /nfs/dbraw/zinc/53/48/10/388534810.db2.gz YZPWBWDPMFANQD-VIFPVBQESA-N 0 3 244.302 0.773 20 0 BCADHN CCOCCN1CCC(NC(N)=O)CC1 ZINC000079466637 388534903 /nfs/dbraw/zinc/53/49/03/388534903.db2.gz WQHLHZDDQFFXJF-UHFFFAOYSA-N 0 3 215.297 0.156 20 0 BCADHN CO[C@H]1CCCC[C@@H]1N[C@@H](C)C(N)=O ZINC000037261506 388616937 /nfs/dbraw/zinc/61/69/37/388616937.db2.gz DZXRHLZMFDLEPZ-CIUDSAMLSA-N 0 3 200.282 0.407 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCCN(C)CC1 ZINC000020217836 388590800 /nfs/dbraw/zinc/59/08/00/388590800.db2.gz KPGZIIXNYJNOTA-SNVBAGLBSA-N 0 3 213.325 0.134 20 0 BCADHN CCO[C@@]1(C)C[C@H]1NC(=O)Cc1nc[nH]c1C ZINC000529856086 388591223 /nfs/dbraw/zinc/59/12/23/388591223.db2.gz JKPZATKCVWHUNA-PWSUYJOCSA-N 0 3 237.303 0.944 20 0 BCADHN C[C@@H](N)C(=O)NCCN1Cc2ccccc2C1 ZINC000649306230 388591484 /nfs/dbraw/zinc/59/14/84/388591484.db2.gz GZWBJUZBRVZXLI-SNVBAGLBSA-N 0 3 233.315 0.466 20 0 BCADHN CC[C@H](C(=O)NCC(F)(F)CO)N(C)C ZINC000186078980 388597914 /nfs/dbraw/zinc/59/79/14/388597914.db2.gz VMYBDBBPCRYQRP-SSDOTTSWSA-N 0 3 224.251 0.070 20 0 BCADHN CCOC[C@@H]1CCCN([C@H]2CCNC2=O)C1 ZINC000245706891 388600058 /nfs/dbraw/zinc/60/00/58/388600058.db2.gz XUJJBNPHJHFROX-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN N[C@H](C(=O)Nc1ccc[nH]c1=O)C1CCC1 ZINC000649314027 388601807 /nfs/dbraw/zinc/60/18/07/388601807.db2.gz IDSHWUZRGGEVQN-VIFPVBQESA-N 0 3 221.260 0.853 20 0 BCADHN N[C@H](CC(F)F)C(=O)Nc1ccc[nH]c1=O ZINC000649314196 388601980 /nfs/dbraw/zinc/60/19/80/388601980.db2.gz RBUIJGHJPRLPIY-RXMQYKEDSA-N 0 3 231.202 0.708 20 0 BCADHN Cc1nccnc1CCNCc1cncn1C ZINC000550280703 388605003 /nfs/dbraw/zinc/60/50/03/388605003.db2.gz LQDXWWKFDDXJLJ-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN CN(C)CC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530025226 388605895 /nfs/dbraw/zinc/60/58/95/388605895.db2.gz PUWMDYAECCTTNC-LBPRGKRZSA-N 0 3 239.363 0.681 20 0 BCADHN CCC(CC)NC(=O)NCCN(CC)CCO ZINC000187064111 388606403 /nfs/dbraw/zinc/60/64/03/388606403.db2.gz JTZZPKIILUWZOZ-UHFFFAOYSA-N 0 3 245.367 0.788 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC[C@](C)(O)C1 ZINC000245861456 388607238 /nfs/dbraw/zinc/60/72/38/388607238.db2.gz FLXGTGGYBANSSF-KOLCDFICSA-N 0 3 214.309 0.310 20 0 BCADHN CSC[C@H](O)CN1CCN(CC(C)C)CC1 ZINC000187673227 388610171 /nfs/dbraw/zinc/61/01/71/388610171.db2.gz PDOLWVDMRYWGCT-GFCCVEGCSA-N 0 3 246.420 0.984 20 0 BCADHN COC[C@H]1CCCN([C@H]2COC[C@H]2O)C1 ZINC000550708229 388613323 /nfs/dbraw/zinc/61/33/23/388613323.db2.gz FVGUKYVUYXIVKZ-GARJFASQSA-N 0 3 215.293 0.105 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)C[C@H]1CCC[C@@H]1O ZINC000246066124 388614437 /nfs/dbraw/zinc/61/44/37/388614437.db2.gz BLXXBHIXVQQMEK-MXWKQRLJSA-N 0 3 228.336 0.556 20 0 BCADHN C[C@@H](Cc1c[nH]cn1)C(=O)N1CC(N(C)C)C1 ZINC000517583157 388554441 /nfs/dbraw/zinc/55/44/41/388554441.db2.gz AXGHMNCOTVBTQC-VIFPVBQESA-N 0 3 236.319 0.361 20 0 BCADHN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC(N(C)C)C1 ZINC000517583157 388554444 /nfs/dbraw/zinc/55/44/44/388554444.db2.gz AXGHMNCOTVBTQC-VIFPVBQESA-N 0 3 236.319 0.361 20 0 BCADHN CC[C@H](N)C(=O)NCCn1ccnc1C ZINC000261536974 388554493 /nfs/dbraw/zinc/55/44/93/388554493.db2.gz UKROUPFSNNXFQK-VIFPVBQESA-N 0 3 210.281 0.045 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cccnn2)CCN1C ZINC000528658688 388556415 /nfs/dbraw/zinc/55/64/15/388556415.db2.gz UZFIMOZYBFAQBR-UWVGGRQHSA-N 0 3 234.303 0.689 20 0 BCADHN CC(C)(N)C(=O)NCC[C@H]1CCCOC1 ZINC000528663090 388556714 /nfs/dbraw/zinc/55/67/14/388556714.db2.gz QSNKLEFQBLIXPC-SECBINFHSA-N 0 3 214.309 0.657 20 0 BCADHN CCOC[C@@H]1CN(C(=O)[C@@H](N)C(C)C)CCO1 ZINC000528660623 388556800 /nfs/dbraw/zinc/55/68/00/388556800.db2.gz IWQIELQRMJFXEB-QWRGUYRKSA-N 0 3 244.335 0.234 20 0 BCADHN C[C@H]1CC[NH2+]C[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000517722110 388557840 /nfs/dbraw/zinc/55/78/40/388557840.db2.gz MVGNNLWHQUBPAX-CBAPKCEASA-N 0 3 232.291 0.136 20 0 BCADHN Cc1nn(C[C@@H](O)CN(C)C2CC2)c(=O)s1 ZINC000521027683 388559584 /nfs/dbraw/zinc/55/95/84/388559584.db2.gz KBGHZNXHKXKCGA-VIFPVBQESA-N 0 3 243.332 0.068 20 0 BCADHN CC[C@@H](C)[C@H](CNCc1cnnn1C)OC ZINC000362974794 388561394 /nfs/dbraw/zinc/56/13/94/388561394.db2.gz BYRMKFNPMNAUHO-KOLCDFICSA-N 0 3 226.324 0.966 20 0 BCADHN CC(C)n1cncc1CNCCn1cncn1 ZINC000362974581 388561453 /nfs/dbraw/zinc/56/14/53/388561453.db2.gz BGDOTYLEHVUQAD-UHFFFAOYSA-N 0 3 234.307 0.845 20 0 BCADHN COc1ncccc1NC(=O)[C@@H]1CCN(C)C1 ZINC000521073473 388562160 /nfs/dbraw/zinc/56/21/60/388562160.db2.gz VRQBHAHYAALMMP-SECBINFHSA-N 0 3 235.287 0.980 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2cccnn2)C1 ZINC000528726705 388564052 /nfs/dbraw/zinc/56/40/52/388564052.db2.gz BBIJVVHWEHQWQQ-JTQLQIEISA-N 0 3 234.303 0.548 20 0 BCADHN CC(=O)CCN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528749544 388565704 /nfs/dbraw/zinc/56/57/04/388565704.db2.gz LLOMBUJCMLPPQC-TXEJJXNPSA-N 0 3 229.320 0.278 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)NC1CC1 ZINC000528751574 388565771 /nfs/dbraw/zinc/56/57/71/388565771.db2.gz ITIDVRKNZXHUMP-JXVAYASWSA-N 0 3 226.320 0.667 20 0 BCADHN CCC(=O)CCN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528750228 388566196 /nfs/dbraw/zinc/56/61/96/388566196.db2.gz BXGFSURDMLRHTE-BETUJISGSA-N 0 3 243.347 0.668 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)NC1CC1 ZINC000528751578 388566244 /nfs/dbraw/zinc/56/62/44/388566244.db2.gz ITIDVRKNZXHUMP-UOKLYIGXSA-N 0 3 226.320 0.667 20 0 BCADHN C[C@]1(CO)CN(Cc2cnc[nH]2)C[C@@]1(C)CO ZINC000528754874 388566449 /nfs/dbraw/zinc/56/64/49/388566449.db2.gz MCTKATDNCJBVMM-TXEJJXNPSA-N 0 3 239.319 0.223 20 0 BCADHN CC(C)NC(=O)CN[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528757110 388567072 /nfs/dbraw/zinc/56/70/72/388567072.db2.gz WPJLMSRLCTXGLV-GMOBBJLQSA-N 0 3 228.336 0.913 20 0 BCADHN CS[C@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368386180 388567917 /nfs/dbraw/zinc/56/79/17/388567917.db2.gz VCJSBAYPVGQMLL-CSMHCCOUSA-N 0 3 220.313 0.554 20 0 BCADHN CSCCCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368648643 388569930 /nfs/dbraw/zinc/56/99/30/388569930.db2.gz WFPYDOYFQAXUKL-IUCAKERBSA-N 0 3 234.340 0.946 20 0 BCADHN CNC(=O)[C@@H](NCCC(=O)OC(C)C)C(C)C ZINC000183671998 388570805 /nfs/dbraw/zinc/57/08/05/388570805.db2.gz WDOCJGZQYDLFIJ-NSHDSACASA-N 0 3 244.335 0.688 20 0 BCADHN CNC(=O)[C@@H](NCCN1CCCCC1)C(C)C ZINC000183635322 388571441 /nfs/dbraw/zinc/57/14/41/388571441.db2.gz DGZGBAAUSDNDCQ-LBPRGKRZSA-N 0 3 241.379 0.833 20 0 BCADHN CCC[C@H](C)C(=O)NCCN(CC)CCO ZINC000183956092 388571991 /nfs/dbraw/zinc/57/19/91/388571991.db2.gz XRYJJKZZFBYXBU-NSHDSACASA-N 0 3 230.352 0.853 20 0 BCADHN CCN(CCO)CCNC(=O)c1ccccc1 ZINC000183939388 388572657 /nfs/dbraw/zinc/57/26/57/388572657.db2.gz RRRFZKDKHHABAK-UHFFFAOYSA-N 0 3 236.315 0.731 20 0 BCADHN C[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528788618 388573182 /nfs/dbraw/zinc/57/31/82/388573182.db2.gz NKFJHFGWVSTLBT-AEISUSGSSA-N 0 3 217.334 0.353 20 0 BCADHN CCN(CCO)CCNC(=O)C[C@H](C)SC ZINC000183976311 388573654 /nfs/dbraw/zinc/57/36/54/388573654.db2.gz CMZASBQSBZFDLF-JTQLQIEISA-N 0 3 248.392 0.558 20 0 BCADHN C[C@@H]1C[C@@H](C)N1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000549173459 388574444 /nfs/dbraw/zinc/57/44/44/388574444.db2.gz LZLCZAAZDKZWSC-MXWKQRLJSA-N 0 3 246.376 0.751 20 0 BCADHN CCOC[C@H]1CCN(CCN2CCCC2=O)C1 ZINC000081519515 388579663 /nfs/dbraw/zinc/57/96/63/388579663.db2.gz PDKQGFUYJSCIDG-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN CC(=O)c1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1[O-] ZINC000521041385 256834535 /nfs/dbraw/zinc/83/45/35/256834535.db2.gz GNMOVCGRCMKJQQ-SNVBAGLBSA-N 0 3 248.282 0.768 20 0 BCADHN N[C@@H](C(=O)Nc1c[nH]ccc1=O)C1CCC1 ZINC000649301211 388583407 /nfs/dbraw/zinc/58/34/07/388583407.db2.gz LUGOKTVZUDWJPT-SNVBAGLBSA-N 0 3 221.260 0.441 20 0 BCADHN N[C@H](C(=O)Nc1c[nH]ccc1=O)C1CCC1 ZINC000649301210 388583439 /nfs/dbraw/zinc/58/34/39/388583439.db2.gz LUGOKTVZUDWJPT-JTQLQIEISA-N 0 3 221.260 0.441 20 0 BCADHN NC1(C(=O)Nc2c[nH]ccc2=O)CCCCC1 ZINC000649301235 388583514 /nfs/dbraw/zinc/58/35/14/388583514.db2.gz NWISYZSVQBBCMM-UHFFFAOYSA-N 0 3 235.287 0.975 20 0 BCADHN O=C(C1CCN(C2CC2)CC1)N1CCOCC1 ZINC000184942774 388584108 /nfs/dbraw/zinc/58/41/08/388584108.db2.gz IRXXKYKJGCUOMT-UHFFFAOYSA-N 0 3 238.331 0.720 20 0 BCADHN Cc1ncc(C(=O)N2CCN[C@@H](C)C2)[nH]1 ZINC000261545292 388585451 /nfs/dbraw/zinc/58/54/51/388585451.db2.gz JVBRYARAOCINQG-ZETCQYMHSA-N 0 3 208.265 0.152 20 0 BCADHN CCOC[C@H](O)CN1CC[C@H](O)[C@@H](C)C1 ZINC000253215962 388586112 /nfs/dbraw/zinc/58/61/12/388586112.db2.gz CSANPKVWCXVMHM-AXFHLTTASA-N 0 3 217.309 0.087 20 0 BCADHN CO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)NC1CC1 ZINC000224460959 388665539 /nfs/dbraw/zinc/66/55/39/388665539.db2.gz DZCVXQDYEAUAAK-JMJZKYOTSA-N 0 3 226.320 0.811 20 0 BCADHN COC[C@H](C)N1CCC[C@@H](OCCO)C1 ZINC000247499251 388665538 /nfs/dbraw/zinc/66/55/38/388665538.db2.gz LOGARGBUURWGNA-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN CC[C@H](N)C(=O)NCCOCC1CC1 ZINC000225401812 388678255 /nfs/dbraw/zinc/67/82/55/388678255.db2.gz LXMVODFGAHJUQU-VIFPVBQESA-N 0 3 200.282 0.267 20 0 BCADHN C[C@@H]1COCC[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000192567733 388679098 /nfs/dbraw/zinc/67/90/98/388679098.db2.gz DDIPYAHOKJHMPT-GRYCIOLGSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H](NC(=O)C(C)(C)N)C1CCOCC1 ZINC000225523250 388680402 /nfs/dbraw/zinc/68/04/02/388680402.db2.gz VGQWBZWFDMTROJ-MRVPVSSYSA-N 0 3 214.309 0.655 20 0 BCADHN CNC(=O)NC(=O)CN(C)[C@H]1CCCC[C@@H]1C ZINC000192625210 388680591 /nfs/dbraw/zinc/68/05/91/388680591.db2.gz FETPTNKTHYVJCH-UWVGGRQHSA-N 0 3 241.335 0.953 20 0 BCADHN C[C@@H]1COCC[C@@H]1C(=O)N(C)CCN(C)C ZINC000192630133 388680665 /nfs/dbraw/zinc/68/06/65/388680665.db2.gz LZCTWWNQGWRIFI-MNOVXSKESA-N 0 3 228.336 0.679 20 0 BCADHN CC(C)NC(=O)CCN(C)[C@@H](C)C[S@@](C)=O ZINC000248502935 388682051 /nfs/dbraw/zinc/68/20/51/388682051.db2.gz UOKPXCYIOAYWTQ-MGPLVRAMSA-N 0 3 248.392 0.600 20 0 BCADHN CN(C)C1CN(c2ncnc3c2CCC3)C1 ZINC000538293657 388683689 /nfs/dbraw/zinc/68/36/89/388683689.db2.gz LOIBNSSDARJCPQ-UHFFFAOYSA-N 0 3 218.304 0.716 20 0 BCADHN C[N@H+]1CC=C(CN=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000538294630 388683789 /nfs/dbraw/zinc/68/37/89/388683789.db2.gz VLHZWUCNRPCJRV-UHFFFAOYSA-N 0 3 244.302 0.400 20 0 BCADHN C[N@@H+]1CC=C(CN=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000538294630 388683790 /nfs/dbraw/zinc/68/37/90/388683790.db2.gz VLHZWUCNRPCJRV-UHFFFAOYSA-N 0 3 244.302 0.400 20 0 BCADHN CO[C@H]1CN(Cc2cnc[nH]2)[C@](C)(CO)C1 ZINC000630076253 388618867 /nfs/dbraw/zinc/61/88/67/388618867.db2.gz IVHOMPSOKPSVMA-MNOVXSKESA-N 0 3 225.292 0.381 20 0 BCADHN COCCN(CCO)C[C@H](O)CC(F)(F)F ZINC000189067830 388618897 /nfs/dbraw/zinc/61/88/97/388618897.db2.gz YLFPGWZPENUXKI-MRVPVSSYSA-N 0 3 245.241 0.240 20 0 BCADHN CCOC[C@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC000246152805 388620668 /nfs/dbraw/zinc/62/06/68/388620668.db2.gz HMNKUGOGQCDAQJ-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)CCc1cncnc1 ZINC000551098995 388622025 /nfs/dbraw/zinc/62/20/25/388622025.db2.gz YYIGXCSFDLMLLU-GFCCVEGCSA-N 0 3 248.330 0.620 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2nncs2)C1 ZINC000530183863 388623650 /nfs/dbraw/zinc/62/36/50/388623650.db2.gz DPVZLNLWANIAAM-QMMMGPOBSA-N 0 3 240.332 0.610 20 0 BCADHN C[C@H](CNC(=O)c1nncs1)N(C)C1CC1 ZINC000530184628 388623705 /nfs/dbraw/zinc/62/37/05/388623705.db2.gz NSONXJSQTGOWOB-SSDOTTSWSA-N 0 3 240.332 0.751 20 0 BCADHN CN(C)CCN(C(=O)c1nncs1)C1CC1 ZINC000530186162 388624522 /nfs/dbraw/zinc/62/45/22/388624522.db2.gz HXUROLDNGYLYDM-UHFFFAOYSA-N 0 3 240.332 0.704 20 0 BCADHN CC[C@H]1CCN([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000246238287 388625564 /nfs/dbraw/zinc/62/55/64/388625564.db2.gz NPFOGGAFCVUHMN-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)c1ncc[nH]1 ZINC000564378457 388628236 /nfs/dbraw/zinc/62/82/36/388628236.db2.gz GXSHHTSHTUPANE-SECBINFHSA-N 0 3 224.308 0.927 20 0 BCADHN CCN1CCN(CC)[C@@H](C(=O)N(C)C)C1 ZINC000246296689 388629257 /nfs/dbraw/zinc/62/92/57/388629257.db2.gz BOOSFYBZVDOZQG-SNVBAGLBSA-N 0 3 213.325 0.101 20 0 BCADHN C[C@H](CO)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246336600 388631626 /nfs/dbraw/zinc/63/16/26/388631626.db2.gz OAKYIACTSKDGEN-OPRDCNLKSA-N 0 3 241.335 0.292 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1)c1cncs1 ZINC000530219133 388631616 /nfs/dbraw/zinc/63/16/16/388631616.db2.gz FRGURSWYGDYBDT-DTWKUNHWSA-N 0 3 227.333 0.782 20 0 BCADHN C[C@@H](NC[C@@H]1COCCN1)c1ccncc1 ZINC000530220894 388632994 /nfs/dbraw/zinc/63/29/94/388632994.db2.gz KAJYERGUMKMTHC-ZYHUDNBSSA-N 0 3 221.304 0.721 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1)c1ccncc1F ZINC000530222013 388633356 /nfs/dbraw/zinc/63/33/56/388633356.db2.gz FOMSUBVVWQBSSE-VHSXEESVSA-N 0 3 239.294 0.860 20 0 BCADHN CCn1cc([C@H](C)NC[C@@H]2COCCN2)cn1 ZINC000530224351 388634352 /nfs/dbraw/zinc/63/43/52/388634352.db2.gz RCZYAVWXIZBKIA-CMPLNLGQSA-N 0 3 238.335 0.542 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NC[C@H]1COCCN1 ZINC000530224155 388634359 /nfs/dbraw/zinc/63/43/59/388634359.db2.gz QXZMQZDEVDNAEJ-ONGXEEELSA-N 0 3 238.335 0.368 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1)c1ccco1 ZINC000530225408 388635231 /nfs/dbraw/zinc/63/52/31/388635231.db2.gz ZMMAMVKRZMIWHL-VHSXEESVSA-N 0 3 210.277 0.919 20 0 BCADHN CNC(=O)N[C@H]1CCN(CCCF)C1 ZINC000342357283 135262087 /nfs/dbraw/zinc/26/20/87/135262087.db2.gz RMLAQOHVKIOANC-QMMMGPOBSA-N 0 3 203.261 0.349 20 0 BCADHN COC(=O)N1CC(NC2CC(OC(C)C)C2)C1 ZINC000189548633 388637019 /nfs/dbraw/zinc/63/70/19/388637019.db2.gz QHBBXKPGEKHLOW-UHFFFAOYSA-N 0 3 242.319 0.983 20 0 BCADHN CCn1nncc1CNCC1(O)CCCC1 ZINC000530235579 388637772 /nfs/dbraw/zinc/63/77/72/388637772.db2.gz IQDDCFXZZGODNX-UHFFFAOYSA-N 0 3 224.308 0.693 20 0 BCADHN COC(=O)CC1(NC(=O)CN)CCCCC1 ZINC000521876902 388638514 /nfs/dbraw/zinc/63/85/14/388638514.db2.gz FFQWWMUPNKLOLK-UHFFFAOYSA-N 0 3 228.292 0.327 20 0 BCADHN COC[C@@H](N[C@@H]1CCN(C)C1=O)C(C)C ZINC000083399089 388639011 /nfs/dbraw/zinc/63/90/11/388639011.db2.gz LDHIKMCYNGEOKN-NXEZZACHSA-N 0 3 214.309 0.478 20 0 BCADHN COCc1ccc(CNC[C@H]2COCCN2)o1 ZINC000530247495 388639648 /nfs/dbraw/zinc/63/96/48/388639648.db2.gz VAKXFBCJTRFZPO-JTQLQIEISA-N 0 3 240.303 0.504 20 0 BCADHN CC(C)(C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000551820089 388642170 /nfs/dbraw/zinc/64/21/70/388642170.db2.gz IBFQKGHDZBWPBT-JTQLQIEISA-N 0 3 225.336 0.291 20 0 BCADHN CCc1ccc(CNC(CO)CO)s1 ZINC000083692689 388646176 /nfs/dbraw/zinc/64/61/76/388646176.db2.gz XLFVVPSYIMIXSE-UHFFFAOYSA-N 0 3 215.318 0.753 20 0 BCADHN COCCCCNC(=O)NC[C@@H]1CCCN1C ZINC000139592735 388646301 /nfs/dbraw/zinc/64/63/01/388646301.db2.gz BVABTJUFJQKTOZ-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN CC(C(=O)N1[C@H](C)CC[C@H]1C)S(C)(=O)=O ZINC000246641045 388647128 /nfs/dbraw/zinc/64/71/28/388647128.db2.gz UKNPAHIDWVETQZ-HLTSFMKQSA-N 0 3 233.333 0.819 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN(C[C@@H]2C[C@H]2C)C1 ZINC000530359263 388651461 /nfs/dbraw/zinc/65/14/61/388651461.db2.gz OKQVJFPLEZQDHW-KXUCPTDWSA-N 0 3 232.349 0.266 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN(C[C@@H]2C[C@@H]2C)C1 ZINC000530359264 388652081 /nfs/dbraw/zinc/65/20/81/388652081.db2.gz OKQVJFPLEZQDHW-LPEHRKFASA-N 0 3 232.349 0.266 20 0 BCADHN [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]nn1 ZINC000084213091 388653511 /nfs/dbraw/zinc/65/35/11/388653511.db2.gz OAAKVZUEALMWCF-JGVFFNPUSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cnn[n-]1 ZINC000084213091 388653513 /nfs/dbraw/zinc/65/35/13/388653513.db2.gz OAAKVZUEALMWCF-JGVFFNPUSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC000084213091 388653515 /nfs/dbraw/zinc/65/35/15/388653515.db2.gz OAAKVZUEALMWCF-JGVFFNPUSA-N 0 3 223.280 0.052 20 0 BCADHN CC[C@H](C)NC(=O)CN(C)C[C@H]1CCOC1 ZINC000247124570 388660048 /nfs/dbraw/zinc/66/00/48/388660048.db2.gz RXARZYSBVNWVNB-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1nc(CCN(C)C[C@@H]2CCOC2)no1 ZINC000552028617 388661592 /nfs/dbraw/zinc/66/15/92/388661592.db2.gz PZSIMRRPABLHMG-JTQLQIEISA-N 0 3 225.292 0.889 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCS[C@H](C)C1 ZINC000123562659 388734055 /nfs/dbraw/zinc/73/40/55/388734055.db2.gz LFIBVYGRDMCGQN-SCZZXKLOSA-N 0 3 233.333 0.348 20 0 BCADHN CCN(CC)CC(=O)NCCN(C)C ZINC000194490348 388734127 /nfs/dbraw/zinc/73/41/27/388734127.db2.gz XTIYPVRJGREBME-UHFFFAOYSA-N 0 3 201.314 0.006 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](C)OC[C@@H]1C ZINC000067572977 388734925 /nfs/dbraw/zinc/73/49/25/388734925.db2.gz WWPLIVYTAISOGP-QWRGUYRKSA-N 0 3 228.336 0.962 20 0 BCADHN CN1CCC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC000194651410 388737824 /nfs/dbraw/zinc/73/78/24/388737824.db2.gz HWCNHXWNXHBPJP-ZJUUUORDSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC000538876947 388738155 /nfs/dbraw/zinc/73/81/55/388738155.db2.gz DTHWGXXOQVNACC-IJLUTSLNSA-N 0 3 240.347 0.869 20 0 BCADHN Cn1cc(CC(=O)NCCN2CCCC2)cn1 ZINC000194772631 388742103 /nfs/dbraw/zinc/74/21/03/388742103.db2.gz CDNPPASDFQUBCQ-UHFFFAOYSA-N 0 3 236.319 0.175 20 0 BCADHN Cn1cc(CC(=O)NC[C@@H]2CCCN2C)cn1 ZINC000194834290 388744298 /nfs/dbraw/zinc/74/42/98/388744298.db2.gz GJLOPKUNHGPJMN-NSHDSACASA-N 0 3 236.319 0.173 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000227327999 388748100 /nfs/dbraw/zinc/74/81/00/388748100.db2.gz WLELNHLULORCFL-GMTAPVOTSA-N 0 3 228.336 0.924 20 0 BCADHN CO[C@@H](CN)C(=O)NC1CCC(C)CC1 ZINC000227345459 388748567 /nfs/dbraw/zinc/74/85/67/388748567.db2.gz QANDSPFKZRNAMH-RTBKNWGFSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@H](CN)C(=O)N(CC(C)C)C1CC1 ZINC000227364555 388748628 /nfs/dbraw/zinc/74/86/28/388748628.db2.gz IOSBFPQNQCQLIZ-SNVBAGLBSA-N 0 3 214.309 0.607 20 0 BCADHN CO[C@H](CN)C(=O)NC1CCC(C)CC1 ZINC000227345467 388748692 /nfs/dbraw/zinc/74/86/92/388748692.db2.gz QANDSPFKZRNAMH-UDNWOFFPSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cc(C)ccn1 ZINC000227346560 388749266 /nfs/dbraw/zinc/74/92/66/388749266.db2.gz PMIWBISCAURLII-MRVPVSSYSA-N 0 3 209.249 0.302 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cccc(O)c1 ZINC000227373088 388749783 /nfs/dbraw/zinc/74/97/83/388749783.db2.gz MJAYBBGPDQRHER-VIFPVBQESA-N 0 3 210.233 0.304 20 0 BCADHN CO[C@H](CN)C(=O)NCC1(C)CCCC1 ZINC000227384509 388749844 /nfs/dbraw/zinc/74/98/44/388749844.db2.gz NDVLPWMWKMAONA-SECBINFHSA-N 0 3 214.309 0.657 20 0 BCADHN CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](CN)OC ZINC000227417753 388751227 /nfs/dbraw/zinc/75/12/27/388751227.db2.gz WPWNENKJDXQBSK-HRDYMLBCSA-N 0 3 200.282 0.265 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000227408366 388751264 /nfs/dbraw/zinc/75/12/64/388751264.db2.gz GXQWYWZGKQVJPX-LPEHRKFASA-N 0 3 214.309 0.465 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000227408351 388751669 /nfs/dbraw/zinc/75/16/69/388751669.db2.gz GXQWYWZGKQVJPX-KXUCPTDWSA-N 0 3 214.309 0.465 20 0 BCADHN CCn1ccc(C(=O)NC[C@H](C)N(C)C)n1 ZINC000648730693 388752600 /nfs/dbraw/zinc/75/26/00/388752600.db2.gz NGKSDDCYGCNLJW-VIFPVBQESA-N 0 3 224.308 0.583 20 0 BCADHN C[C@@H](CNC(=O)c1cnc(Cl)cn1)N(C)C ZINC000227665726 388755214 /nfs/dbraw/zinc/75/52/14/388755214.db2.gz PAYBVOVLJCRLHR-ZETCQYMHSA-N 0 3 242.710 0.810 20 0 BCADHN CCCN(C(=O)[C@H]1CCOC1)[C@H]1CCN(C)C1 ZINC000649001465 388690986 /nfs/dbraw/zinc/69/09/86/388690986.db2.gz NCQKQKBGVFCHED-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN COC[C@H](NCC(=O)N1CCOCC1)C(C)C ZINC000086699640 388691114 /nfs/dbraw/zinc/69/11/14/388691114.db2.gz PNDDFVWMNTWFEG-NSHDSACASA-N 0 3 244.335 0.106 20 0 BCADHN COC[C@H](O)CN1CCS[C@H](C)C1 ZINC000126597737 388697901 /nfs/dbraw/zinc/69/79/01/388697901.db2.gz CUMNMAGZIZVEKA-RKDXNWHRSA-N 0 3 205.323 0.431 20 0 BCADHN C[C@@H](O)CN(CCc1ccccn1)[C@H](C)CO ZINC000248932199 388699922 /nfs/dbraw/zinc/69/99/22/388699922.db2.gz MPFXWAIQXPJATA-VXGBXAGGSA-N 0 3 238.331 0.688 20 0 BCADHN CC(C)OCCN(C[C@H](C)O)[C@H](C)CO ZINC000248972097 388702580 /nfs/dbraw/zinc/70/25/80/388702580.db2.gz SXZMXUKWCKPLPN-MNOVXSKESA-N 0 3 219.325 0.475 20 0 BCADHN CN(CCNC(=O)NCc1cc[nH]n1)C1CC1 ZINC000522142943 388703864 /nfs/dbraw/zinc/70/38/64/388703864.db2.gz HNMNENKLMXJNJQ-UHFFFAOYSA-N 0 3 237.307 0.303 20 0 BCADHN CO[C@@H]1CN([C@H](C)C(=O)N(C)C)CC[C@H]1C ZINC000251896773 388756106 /nfs/dbraw/zinc/75/61/06/388756106.db2.gz QQUXBCMGCCXYRO-GMTAPVOTSA-N 0 3 228.336 0.820 20 0 BCADHN COC(=O)[C@@H](C)CN(C)[C@@H]1CCCN(C)C1=O ZINC000538703560 388706995 /nfs/dbraw/zinc/70/69/95/388706995.db2.gz OTMHAPZUZYNMMS-VHSXEESVSA-N 0 3 242.319 0.348 20 0 BCADHN Cn1cc(CCN(CCO)C2CC2)cn1 ZINC000226151469 388707521 /nfs/dbraw/zinc/70/75/21/388707521.db2.gz AGSYPYYYGSULKC-UHFFFAOYSA-N 0 3 209.293 0.419 20 0 BCADHN CCC1(O)CCN([C@H]2CCCN(C)C2=O)CC1 ZINC000538708939 388708259 /nfs/dbraw/zinc/70/82/59/388708259.db2.gz KUHZLBVOZZPUQF-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN COC(=O)[C@H]1CCN([C@H]2CCCN(C)C2=O)C1 ZINC000538712042 388708368 /nfs/dbraw/zinc/70/83/68/388708368.db2.gz YZDNIOXZISSWNT-UWVGGRQHSA-N 0 3 240.303 0.102 20 0 BCADHN CN1CCC[C@H](N2CCC(CCO)CC2)C1=O ZINC000538711602 388708575 /nfs/dbraw/zinc/70/85/75/388708575.db2.gz CZNWPKIEISPSGF-LBPRGKRZSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H](N)C(=O)NCCCOCC1CCOCC1 ZINC000161649511 388708769 /nfs/dbraw/zinc/70/87/69/388708769.db2.gz LKUHESPLLONWBU-JTQLQIEISA-N 0 3 244.335 0.283 20 0 BCADHN C[C@H]1CCN(CC(=O)NCCCCO)C1 ZINC000553239577 388756268 /nfs/dbraw/zinc/75/62/68/388756268.db2.gz RJJPLSUSZONZSN-JTQLQIEISA-N 0 3 214.309 0.217 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@@H](O)[C@@H](C)C2)CCO1 ZINC000249283712 388715171 /nfs/dbraw/zinc/71/51/71/388715171.db2.gz NLISDXKQTUNWEV-YNEHKIRRSA-N 0 3 242.363 0.410 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000226321234 388715449 /nfs/dbraw/zinc/71/54/49/388715449.db2.gz YCEJMDKFQHSMNM-QYNIQEEDSA-N 0 3 242.241 0.399 20 0 BCADHN C[C@H](O)CN1CCN(CCCCCO)[C@@H](C)C1 ZINC000249288376 388715979 /nfs/dbraw/zinc/71/59/79/388715979.db2.gz OZMAMJFTOMKNLI-STQMWFEESA-N 0 3 244.379 0.536 20 0 BCADHN CCN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249317938 388716549 /nfs/dbraw/zinc/71/65/49/388716549.db2.gz FQQDVHDGRJTCIJ-JTQLQIEISA-N 0 3 200.326 0.783 20 0 BCADHN CNCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000249372155 388718212 /nfs/dbraw/zinc/71/82/12/388718212.db2.gz ATXTWNAKBQMLHI-JMJZKYOTSA-N 0 3 224.304 0.280 20 0 BCADHN COC[C@@H](CNCc1ccncc1)OC ZINC000227707173 388756541 /nfs/dbraw/zinc/75/65/41/388756541.db2.gz JETNGPFDMIECAY-LLVKDONJSA-N 0 3 210.277 0.833 20 0 BCADHN CO[C@@H]1CCCN(C[C@@H](O)CSC)C1 ZINC000249424265 388720579 /nfs/dbraw/zinc/72/05/79/388720579.db2.gz FDXYKKLAKYVVAO-NXEZZACHSA-N 0 3 219.350 0.821 20 0 BCADHN CCN(C)CCNC(=O)C[C@@H]1CCCO1 ZINC000066949244 388725183 /nfs/dbraw/zinc/72/51/83/388725183.db2.gz CXUPUGWPPQEYHV-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN C[C@H](O)CN1CCN(CC2CC2)[C@@H](C)C1 ZINC000249518593 388725466 /nfs/dbraw/zinc/72/54/66/388725466.db2.gz SZGKPYKEJCSJTA-QWRGUYRKSA-N 0 3 212.337 0.783 20 0 BCADHN COCCO[C@@H]1CCN(C[C@@H](C)O)C1 ZINC000249529420 388725682 /nfs/dbraw/zinc/72/56/82/388725682.db2.gz JHEMBNPUYKOOCU-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](C)Cn1cncn1 ZINC000127532496 388725760 /nfs/dbraw/zinc/72/57/60/388725760.db2.gz HSJJNKBRKPNFTR-JTQLQIEISA-N 0 3 239.323 0.123 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC000127514357 388726288 /nfs/dbraw/zinc/72/62/88/388726288.db2.gz LNIIVGNPCAJBEL-JTQLQIEISA-N 0 3 244.335 0.594 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)C1CCC(O)CC1 ZINC000194306608 388728356 /nfs/dbraw/zinc/72/83/56/388728356.db2.gz XTLLXYPLABOELA-MOENNCHZSA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@@H](O)CN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249569005 388728616 /nfs/dbraw/zinc/72/86/16/388728616.db2.gz NSEVDYMAXPEFOS-BBBLOLIVSA-N 0 3 214.309 0.343 20 0 BCADHN CCSCCN1CCN(CCO)[C@@H](C)C1 ZINC000249599572 388729476 /nfs/dbraw/zinc/72/94/76/388729476.db2.gz XUVKSVXPADSKLP-NSHDSACASA-N 0 3 232.393 0.738 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1CC[C@H](O)[C@H](C)C1 ZINC000249590846 388729611 /nfs/dbraw/zinc/72/96/11/388729611.db2.gz VJOMGVWYEQHNSC-UTUOFQBUSA-N 0 3 242.363 0.944 20 0 BCADHN C[C@@H]1CCN(CCCCCO)[C@@H](C(N)=O)C1 ZINC000249606911 388730184 /nfs/dbraw/zinc/73/01/84/388730184.db2.gz ZZRCDEOBYZTEGH-GHMZBOCLSA-N 0 3 228.336 0.735 20 0 BCADHN CO[C@H](C)CN1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249587008 388730281 /nfs/dbraw/zinc/73/02/81/388730281.db2.gz UENFUVKVCILBTB-IVZWLZJFSA-N 0 3 214.309 0.607 20 0 BCADHN CC[C@@]1(CO)CCCN([C@H]2CCN(C)C2=O)C1 ZINC000249595133 388730381 /nfs/dbraw/zinc/73/03/81/388730381.db2.gz WPUHKFBLSBEGLY-WCQYABFASA-N 0 3 240.347 0.702 20 0 BCADHN CCN(CC(=O)NCC(=O)OC)[C@@H](C)C(C)C ZINC000194407652 388731508 /nfs/dbraw/zinc/73/15/08/388731508.db2.gz UXIYAGDDOKOJNL-JTQLQIEISA-N 0 3 244.335 0.642 20 0 BCADHN COC[C@H](C)CN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249781614 388733020 /nfs/dbraw/zinc/73/30/20/388733020.db2.gz LIWDDDKEFYOGHU-GMTAPVOTSA-N 0 3 228.336 0.855 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@H](O)[C@@H](C)C1 ZINC000249768795 388733292 /nfs/dbraw/zinc/73/32/92/388733292.db2.gz BJGKHQKKPOIHDY-GZMMTYOYSA-N 0 3 209.293 0.921 20 0 BCADHN C[C@@H](CNC(=O)c1cnc[nH]1)N1CCCC1 ZINC000522247433 388733482 /nfs/dbraw/zinc/73/34/82/388733482.db2.gz TVTVZCVHSLPZNO-VIFPVBQESA-N 0 3 222.292 0.624 20 0 BCADHN CCN(C)C(=O)CN(C)[C@@H]1CCCC[C@H]1O ZINC000252935080 388793059 /nfs/dbraw/zinc/79/30/59/388793059.db2.gz WYGIQQWCQWVILK-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN CC(C)CNC(=O)CN(C)[C@@H]1CCCC[C@H]1O ZINC000252929344 388793088 /nfs/dbraw/zinc/79/30/88/388793088.db2.gz SBOVIARWXZXTOM-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000572540837 388796804 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236.319 0.568 20 0 BCADHN Cn1nccc1CN1CCN(C)C(C)(C)C1 ZINC000556083954 388866290 /nfs/dbraw/zinc/86/62/90/388866290.db2.gz RKSWMACXOKCTBC-UHFFFAOYSA-N 0 3 222.336 0.946 20 0 BCADHN Cn1nncc1CNCCc1cccnc1 ZINC000129706964 388867111 /nfs/dbraw/zinc/86/71/11/388867111.db2.gz BTTSKMCYBWIAHX-UHFFFAOYSA-N 0 3 217.276 0.542 20 0 BCADHN CN(CCC(=O)N1CCOCC1)c1ccncc1 ZINC000541858187 388870656 /nfs/dbraw/zinc/87/06/56/388870656.db2.gz ZVSRGYJDGMQCHS-UHFFFAOYSA-N 0 3 249.314 0.767 20 0 BCADHN CC1(CN2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000564624514 388880486 /nfs/dbraw/zinc/88/04/86/388880486.db2.gz KRCKRJFSMLHOHU-QMMMGPOBSA-N 0 3 218.322 0.149 20 0 BCADHN C[C@H](NC(=O)NC[C@@]1(O)CCN(C)C1)C1CC1 ZINC000564597970 388881017 /nfs/dbraw/zinc/88/10/17/388881017.db2.gz CJJNEXVGYMNQOD-CABZTGNLSA-N 0 3 241.335 0.151 20 0 BCADHN CN(C(=O)Cn1ccnc1)[C@H]1CCN(C2CC2)C1 ZINC000564643237 388882038 /nfs/dbraw/zinc/88/20/38/388882038.db2.gz MGEUPIPOEFDSIU-LBPRGKRZSA-N 0 3 248.330 0.578 20 0 BCADHN CC(C)NC(=O)NCCN1CCC[C@@](C)(O)C1 ZINC000564653712 388883289 /nfs/dbraw/zinc/88/32/89/388883289.db2.gz PGLOAWCTHLBNGI-GFCCVEGCSA-N 0 3 243.351 0.541 20 0 BCADHN OC[C@H]1CSCCN1Cc1ncccc1O ZINC000564737447 388886723 /nfs/dbraw/zinc/88/67/23/388886723.db2.gz ZODXUYCEBMEKNY-VIFPVBQESA-N 0 3 240.328 0.697 20 0 BCADHN OC[C@@H]1CSCCN1Cc1ncccc1O ZINC000564737446 388887333 /nfs/dbraw/zinc/88/73/33/388887333.db2.gz ZODXUYCEBMEKNY-SECBINFHSA-N 0 3 240.328 0.697 20 0 BCADHN N[C@H](CC(F)F)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000564803900 388889584 /nfs/dbraw/zinc/88/95/84/388889584.db2.gz NCKHRMBDYMXGNI-RKDXNWHRSA-N 0 3 248.273 0.606 20 0 BCADHN O=C(COC1CNC1)N[C@@H]1CCC[C@H](F)C1 ZINC000564803327 388889672 /nfs/dbraw/zinc/88/96/72/388889672.db2.gz KMLIJCRFRSKQIB-DTWKUNHWSA-N 0 3 230.283 0.372 20 0 BCADHN Cc1n[nH]cc1CNC[C@H](O)COC(C)C ZINC000564843848 388892746 /nfs/dbraw/zinc/89/27/46/388892746.db2.gz GBCVJPCVIVTFJV-NSHDSACASA-N 0 3 227.308 0.594 20 0 BCADHN O=C(COC1CCCC1)NC[C@H]1CNCCO1 ZINC000564841430 388893572 /nfs/dbraw/zinc/89/35/72/388893572.db2.gz JHSSOPGQYQQCEY-LLVKDONJSA-N 0 3 242.319 0.050 20 0 BCADHN CCOCC[C@H](O)CNCc1c[nH]nc1C ZINC000564845624 388894545 /nfs/dbraw/zinc/89/45/45/388894545.db2.gz UZCJKXHHACOAAE-NSHDSACASA-N 0 3 227.308 0.595 20 0 BCADHN CCC[C@@H](CNC[C@H](C)S(C)(=O)=O)OC ZINC000564860865 388895605 /nfs/dbraw/zinc/89/56/05/388895605.db2.gz UBOKOHRZSREFQZ-UWVGGRQHSA-N 0 3 237.365 0.824 20 0 BCADHN CN(Cc1cnccn1)C(=O)[C@H](N)C1CCC1 ZINC000564929831 388898191 /nfs/dbraw/zinc/89/81/91/388898191.db2.gz YQROJKQSKJYMQM-LLVKDONJSA-N 0 3 234.303 0.562 20 0 BCADHN Cc1noc([C@H](C)NC(=O)[C@@H](C)NC2CC2)n1 ZINC000564564055 388878468 /nfs/dbraw/zinc/87/84/68/388878468.db2.gz JVKBEEAQURGSKW-RQJHMYQMSA-N 0 3 238.291 0.696 20 0 BCADHN COC(=O)[C@H](NC(=O)[C@@H](C)N)c1ccsc1 ZINC000564993038 388906442 /nfs/dbraw/zinc/90/64/42/388906442.db2.gz NEHQLIYZRSFROW-HTRCEHHLSA-N 0 3 242.300 0.426 20 0 BCADHN CCC[C@@H](NC(=O)[C@H](N)CC)C(=O)OC ZINC000564993639 388906815 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134386161 /nfs/dbraw/zinc/38/61/61/134386161.db2.gz MLZQWJJDXDMKNR-UHFFFAOYSA-N 0 3 214.309 0.406 20 0 BCADHN Cn1cc(CCN2CCC(O)CC2)cn1 ZINC000227635350 134389631 /nfs/dbraw/zinc/38/96/31/134389631.db2.gz PVMOGXHCMVDQOL-UHFFFAOYSA-N 0 3 209.293 0.419 20 0 BCADHN COCC1=CCN(C[C@@H](O)COC)CC1 ZINC000185834862 134391473 /nfs/dbraw/zinc/39/14/73/134391473.db2.gz HNBCTXZHEHSKON-LLVKDONJSA-N 0 3 215.293 0.272 20 0 BCADHN CC(=O)N1CC[C@@H](N[C@H](C)c2cnn(C)c2)C1 ZINC000408095391 134391908 /nfs/dbraw/zinc/39/19/08/134391908.db2.gz MZWSRYKAZZRDCF-BXKDBHETSA-N 0 3 236.319 0.692 20 0 BCADHN C[C@@H]1OCC[C@]1(O)CNCc1ccccn1 ZINC000227981362 134396204 /nfs/dbraw/zinc/39/62/04/134396204.db2.gz ZSNNHDJQADFHSW-JQWIXIFHSA-N 0 3 222.288 0.711 20 0 BCADHN CCCCOC[C@H](O)CN1CC[C@@H](C)[C@@H](O)C1 ZINC000227908199 134398715 /nfs/dbraw/zinc/39/87/15/134398715.db2.gz MBZBVGREGICQCR-UPJWGTAASA-N 0 3 245.363 0.867 20 0 BCADHN O=S1(=O)CCC[C@@H](NC2CCC2)C1 ZINC000068940360 134399549 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XNSPWEJZJQRMPI-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CC[C@@H](CCO)CNC(=O)[C@H](N)CCSC ZINC000163636953 135023852 /nfs/dbraw/zinc/02/38/52/135023852.db2.gz QEYSTLGXLPEWQP-VHSXEESVSA-N 0 3 248.392 0.592 20 0 BCADHN C[C@H](O)CCN(C)CCN1CCO[C@H](C)C1 ZINC000249021449 135029330 /nfs/dbraw/zinc/02/93/30/135029330.db2.gz KESBCUSRUHFRNG-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN CC[C@H](O)CN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000249214773 135035802 /nfs/dbraw/zinc/03/58/02/135035802.db2.gz DLLPYSNWHZOEOK-SRVKXCTJSA-N 0 3 230.352 0.144 20 0 BCADHN COCCCCN1CCN(C[C@H](C)O)C[C@H]1C ZINC000249501287 135039617 /nfs/dbraw/zinc/03/96/17/135039617.db2.gz IVWJMTRUKBYIMU-OLZOCXBDSA-N 0 3 244.379 0.800 20 0 BCADHN COCCCCN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249605748 135041446 /nfs/dbraw/zinc/04/14/46/135041446.db2.gz ZQIDZDASWDCULR-GHMZBOCLSA-N 0 3 228.336 0.999 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000250070406 135048675 /nfs/dbraw/zinc/04/86/75/135048675.db2.gz 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135168818 /nfs/dbraw/zinc/16/88/18/135168818.db2.gz VUNBLXXOWZGTSM-PWSUYJOCSA-N 0 3 227.352 0.666 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCOC1 ZINC000087784981 135169748 /nfs/dbraw/zinc/16/97/48/135169748.db2.gz YUKKEGJBQSEIMN-CIUDSAMLSA-N 0 3 200.282 0.265 20 0 BCADHN NC(C(=O)NCCC1CC1)C(F)(F)F ZINC000261536735 135171997 /nfs/dbraw/zinc/17/19/97/135171997.db2.gz SRWHNFOBDIPBTK-ZCFIWIBFSA-N 0 3 210.199 0.792 20 0 BCADHN C[C@H](N)C(=O)NC[C@]1(C)CCCS1 ZINC000087796562 135172617 /nfs/dbraw/zinc/17/26/17/135172617.db2.gz HYSNBWVTKRVDRL-CBAPKCEASA-N 0 3 202.323 0.736 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCO[C@H](C)C1 ZINC000261538656 135176728 /nfs/dbraw/zinc/17/67/28/135176728.db2.gz YVTXWACILBNYBL-BDAKNGLRSA-N 0 3 212.293 0.374 20 0 BCADHN CO[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N ZINC000261538832 135177251 /nfs/dbraw/zinc/17/72/51/135177251.db2.gz ZNOAOJGTEHTCJJ-IWSPIJDZSA-N 0 3 200.282 0.407 20 0 BCADHN Cc1cnc(NC(=O)COC2CNC2)s1 ZINC000261539134 135177351 /nfs/dbraw/zinc/17/73/51/135177351.db2.gz BQUUNNVYLHJTSJ-UHFFFAOYSA-N 0 3 227.289 0.378 20 0 BCADHN C[C@H]1CCC[C@@H]1NC(=O)COC1CNC1 ZINC000261539029 135177374 /nfs/dbraw/zinc/17/73/74/135177374.db2.gz BJXVFXWYDXISLU-WPRPVWTQSA-N 0 3 212.293 0.280 20 0 BCADHN CC[NH2+]CC[N-]S(=O)(=O)c1ccco1 ZINC000261538941 135177391 /nfs/dbraw/zinc/17/73/91/135177391.db2.gz ZXSWXPMSKSQFTF-UHFFFAOYSA-N 0 3 218.278 0.167 20 0 BCADHN CCSc1nnc(NC(=O)[C@H]2CCN2)s1 ZINC000261539622 135178780 /nfs/dbraw/zinc/17/87/80/135178780.db2.gz CWCNVEKKHRQPHW-RXMQYKEDSA-N 0 3 244.345 0.951 20 0 BCADHN CSC[C@H](C)NC(=O)CCOC1CNC1 ZINC000261541426 135180636 /nfs/dbraw/zinc/18/06/36/135180636.db2.gz FWFKMNJFWBOIGL-QMMMGPOBSA-N 0 3 232.349 0.233 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1C[C@H](C)CCN1)c1cn[nH]c1 ZINC000261541306 135180707 /nfs/dbraw/zinc/18/07/07/135180707.db2.gz JRXLPXDOQBRXLI-KKZNHRDASA-N 0 3 236.319 0.975 20 0 BCADHN O=C(CCOC1CNC1)NCCC1CC1 ZINC000261541413 135180745 /nfs/dbraw/zinc/18/07/45/135180745.db2.gz 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ZINC000261577658 135218855 /nfs/dbraw/zinc/21/88/55/135218855.db2.gz LGYVOBNEIMNQSO-SNVBAGLBSA-N 0 3 245.348 0.602 20 0 BCADHN NC1(C(=O)NCc2ccc(Cl)cn2)CC1 ZINC000261577614 135219252 /nfs/dbraw/zinc/21/92/52/135219252.db2.gz LFAMQQKKKLYVKE-UHFFFAOYSA-N 0 3 225.679 0.843 20 0 BCADHN NC(C(=O)N1CCCOCC1)C(F)(F)F ZINC000261579907 135221001 /nfs/dbraw/zinc/22/10/01/135221001.db2.gz MONGQCIKHKXDMR-ZCFIWIBFSA-N 0 3 226.198 0.125 20 0 BCADHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000261581035 135221704 /nfs/dbraw/zinc/22/17/04/135221704.db2.gz NHFIGJBQHSRNHX-MRVPVSSYSA-N 0 3 230.289 0.295 20 0 BCADHN c1ncn(CCN2CCNCc3ccccc32)n1 ZINC000261581047 135221927 /nfs/dbraw/zinc/22/19/27/135221927.db2.gz QITYFNWYACAHCG-UHFFFAOYSA-N 0 3 243.314 0.888 20 0 BCADHN NCC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000261581750 135222518 /nfs/dbraw/zinc/22/25/18/135222518.db2.gz NWNYAHCARMJJBB-LLVKDONJSA-N 0 3 212.293 0.364 20 0 BCADHN NCC(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000261585477 135226705 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ZINC000347832621 136014589 /nfs/dbraw/zinc/01/45/89/136014589.db2.gz NATBECOFEBJGTH-UHFFFAOYSA-N 0 3 246.318 0.679 20 0 BCADHN Cc1nn(C)c(C)c1CNC(=O)[C@@H]1C[C@@H]1N ZINC000335304240 136021521 /nfs/dbraw/zinc/02/15/21/136021521.db2.gz ZPHLDGAWUXFQJS-SCZZXKLOSA-N 0 3 222.292 0.000 20 0 BCADHN COC(=O)[C@H]1CN([C@@H]2CCOC2)CC1(C)C ZINC000367019884 136028776 /nfs/dbraw/zinc/02/87/76/136028776.db2.gz FZFKXHPROJRCMY-NXEZZACHSA-N 0 3 227.304 0.906 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H](O)C(C)(C)C1 ZINC000335310835 136028939 /nfs/dbraw/zinc/02/89/39/136028939.db2.gz RZQFYSYXWVHULM-GHMZBOCLSA-N 0 3 242.363 0.944 20 0 BCADHN CNC(=O)CCN1C[C@H](C)N(C)C[C@@H]1C ZINC000335313419 136030862 /nfs/dbraw/zinc/03/08/62/136030862.db2.gz VTPHJMUARBTKIY-UWVGGRQHSA-N 0 3 213.325 0.147 20 0 BCADHN C[C@@H]1CN(CCN(C)[C@@H]2CCOC2)C[C@@H](C)O1 ZINC000348153953 136040192 /nfs/dbraw/zinc/04/01/92/136040192.db2.gz VCAWTSVYPXUGSX-JHJVBQTASA-N 0 3 242.363 0.816 20 0 BCADHN C[C@H](N[C@@H]1CCC[C@@H]1OC(F)F)C(N)=O ZINC000348155415 136040710 /nfs/dbraw/zinc/04/07/10/136040710.db2.gz YWEHGTZQKYFQAI-XVMARJQXSA-N 0 3 222.235 0.610 20 0 BCADHN CCOC[C@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1C ZINC000348180275 136043436 /nfs/dbraw/zinc/04/34/36/136043436.db2.gz HKTMLRBSGNAOLC-GUBZILKMSA-N 0 3 235.349 0.434 20 0 BCADHN CN(C)C(=O)CN[C@H]1CCC[C@H]1OC(F)F ZINC000348184026 136043611 /nfs/dbraw/zinc/04/36/11/136043611.db2.gz OFCQPWQKMIMUHL-JGVFFNPUSA-N 0 3 236.262 0.825 20 0 BCADHN CSC1(CN2CCN(CCO)[C@H](C)C2)CC1 ZINC000348184752 136044209 /nfs/dbraw/zinc/04/42/09/136044209.db2.gz IBPVPYYCMMAYBD-LLVKDONJSA-N 0 3 244.404 0.880 20 0 BCADHN C[C@H](c1cccnc1)N1CC[C@](O)(C(N)=O)C1 ZINC000348183081 136044243 /nfs/dbraw/zinc/04/42/43/136044243.db2.gz LEWFMMGPIXGDCH-BXKDBHETSA-N 0 3 235.287 0.065 20 0 BCADHN CN1CCC(C(=O)N2C[C@H](O)C3(CC3)C2)CC1 ZINC000335337917 136044794 /nfs/dbraw/zinc/04/47/94/136044794.db2.gz ZFTZJCGMBHJTIE-NSHDSACASA-N 0 3 238.331 0.312 20 0 BCADHN CO[C@H]1C[C@H](CN(C)C(=O)C2=CCC2)N(C)C1 ZINC000348214343 136046301 /nfs/dbraw/zinc/04/63/01/136046301.db2.gz GIWYPUQIAHWMSB-NEPJUHHUSA-N 0 3 238.331 0.884 20 0 BCADHN NC(=O)CN[C@H]1CCC[C@H]1OC(F)F ZINC000348218790 136046840 /nfs/dbraw/zinc/04/68/40/136046840.db2.gz FZBLJYVHFDTONL-NTSWFWBYSA-N 0 3 208.208 0.222 20 0 BCADHN O=C1NCC[C@@H]1N[C@H]1CCC[C@@H]1OC(F)F ZINC000348222504 136047530 /nfs/dbraw/zinc/04/75/30/136047530.db2.gz LOCGMMPTBCNPJT-FXQIFTODSA-N 0 3 234.246 0.625 20 0 BCADHN CCCNC(=O)CN(C)[C@H]1CCN(C2CC2)C1 ZINC000348199894 136052324 /nfs/dbraw/zinc/05/23/24/136052324.db2.gz QZZVKTQNEOQNJJ-LBPRGKRZSA-N 0 3 239.363 0.681 20 0 BCADHN C[C@@H](O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000335329041 136053320 /nfs/dbraw/zinc/05/33/20/136053320.db2.gz MOWBFLSGECHGNA-MNOVXSKESA-N 0 3 226.320 0.454 20 0 BCADHN C[C@@H]1OCC[C@]12CN(CC1(C)COC1)CCO2 ZINC000348243459 136056239 /nfs/dbraw/zinc/05/62/39/136056239.db2.gz LPNJMTYXNLWDQH-AAEUAGOBSA-N 0 3 241.331 0.903 20 0 BCADHN CO[C@H](C)CN1CCO[C@]2(CCO[C@H]2C)C1 ZINC000348248179 136056900 /nfs/dbraw/zinc/05/69/00/136056900.db2.gz OYSJQBDGBZPJOB-GRYCIOLGSA-N 0 3 229.320 0.901 20 0 BCADHN CNC(=O)N[C@H]1CCN(CC2(SC)CC2)C1 ZINC000348264439 136058398 /nfs/dbraw/zinc/05/83/98/136058398.db2.gz WNBMNUAINATBPE-VIFPVBQESA-N 0 3 243.376 0.885 20 0 BCADHN Cc1c[nH]nc1CNC[C@H]1CC[C@H](CO)O1 ZINC000348230375 136060437 /nfs/dbraw/zinc/06/04/37/136060437.db2.gz XUKCPEZCEVZLIP-NXEZZACHSA-N 0 3 225.292 0.348 20 0 BCADHN Cn1ccc(CNC[C@@H]2CC[C@@H](CO)O2)c1 ZINC000348231266 136060958 /nfs/dbraw/zinc/06/09/58/136060958.db2.gz ZAELSLSNWWWKDL-RYUDHWBXSA-N 0 3 224.304 0.655 20 0 BCADHN CN(CCc1cnn(C)c1)C1CC(O)C1 ZINC000348317350 136068810 /nfs/dbraw/zinc/06/88/10/136068810.db2.gz ICOKJGWXMJLAIF-UHFFFAOYSA-N 0 3 209.293 0.418 20 0 BCADHN CN(CCc1cnn(C)c1)CCN(C)C1CC1 ZINC000348382220 136074268 /nfs/dbraw/zinc/07/42/68/136074268.db2.gz MHWDVYFEAUUJRP-UHFFFAOYSA-N 0 3 236.363 0.989 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@H]1CCC(C)(C)O1 ZINC000166118405 136075163 /nfs/dbraw/zinc/07/51/63/136075163.db2.gz HKIIOBJNGIHOIU-NXEZZACHSA-N 0 3 249.376 0.967 20 0 BCADHN CN1CC[C@H](N[C@@H]2CCC[C@H]2OC(F)F)C1=O ZINC000348451156 136078948 /nfs/dbraw/zinc/07/89/48/136078948.db2.gz IJCGVPAAPBJQSL-HRDYMLBCSA-N 0 3 248.273 0.967 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CCCSCC1 ZINC000348479853 136079988 /nfs/dbraw/zinc/07/99/88/136079988.db2.gz PGFUKGLEHCRQFI-NSHDSACASA-N 0 3 247.360 0.739 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N2CCCNCC2)CO1 ZINC000335368760 136082343 /nfs/dbraw/zinc/08/23/43/136082343.db2.gz OEDMWCYJNZJQNZ-NXEZZACHSA-N 0 3 227.308 0.169 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)N2CCCN(C)CC2)CO1 ZINC000335369287 136082361 /nfs/dbraw/zinc/08/23/61/136082361.db2.gz XFFRKIHPCZNSLU-WDEREUQCSA-N 0 3 241.335 0.511 20 0 BCADHN C[C@H]1C[C@H](NC(=O)N2CCCN(C)CC2)CO1 ZINC000335369286 136082516 /nfs/dbraw/zinc/08/25/16/136082516.db2.gz XFFRKIHPCZNSLU-QWRGUYRKSA-N 0 3 241.335 0.511 20 0 BCADHN NC1(C(=O)NCc2ccc(F)cn2)CCC1 ZINC000335368449 136082642 /nfs/dbraw/zinc/08/26/42/136082642.db2.gz KNWULNYWLGQGKT-UHFFFAOYSA-N 0 3 223.251 0.718 20 0 BCADHN NC1(C(=O)N2CC[C@]3(CCOC3)C2)CCC1 ZINC000335369949 136082798 /nfs/dbraw/zinc/08/27/98/136082798.db2.gz ZWWOIYRFVQUQFD-NSHDSACASA-N 0 3 224.304 0.507 20 0 BCADHN Cc1cc(C2CCN(C(=O)C3(N)CC3)CC2)[nH]n1 ZINC000335373925 136084892 /nfs/dbraw/zinc/08/48/92/136084892.db2.gz DHDNIWJRWLDVEM-UHFFFAOYSA-N 0 3 248.330 0.915 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1ccn(C)n1 ZINC000335388078 136089651 /nfs/dbraw/zinc/08/96/51/136089651.db2.gz CFFDOXOYNBKZGT-VHSXEESVSA-N 0 3 236.319 0.171 20 0 BCADHN NC(C(=O)N[C@@H]1CCCOCC1)C(F)(F)F ZINC000335390034 136090382 /nfs/dbraw/zinc/09/03/82/136090382.db2.gz ROUDRWFHYUTLMZ-RNFRBKRXSA-N 0 3 240.225 0.561 20 0 BCADHN C[C@H]1CN(C(=O)c2ccc3cncn3c2)CCN1 ZINC000335394071 136091836 /nfs/dbraw/zinc/09/18/36/136091836.db2.gz DKTZVQYOJPFBJY-JTQLQIEISA-N 0 3 244.298 0.768 20 0 BCADHN CN(C[C@H]1CCSC1)[C@H]1CCNC1=O ZINC000335401563 136094782 /nfs/dbraw/zinc/09/47/82/136094782.db2.gz GFXMJHFJNRQTNN-BDAKNGLRSA-N 0 3 214.334 0.560 20 0 BCADHN C[C@@H]1[C@@H](C)CCN1CCS(=O)(=O)N(C)C ZINC000335556038 136099426 /nfs/dbraw/zinc/09/94/26/136099426.db2.gz GEBIHYKESURXAO-VHSXEESVSA-N 0 3 234.365 0.608 20 0 BCADHN C[C@H]1CCN(CCS(=O)(=O)N(C)C)[C@H]1C ZINC000335556037 136099762 /nfs/dbraw/zinc/09/97/62/136099762.db2.gz GEBIHYKESURXAO-UWVGGRQHSA-N 0 3 234.365 0.608 20 0 BCADHN C[C@H]1CCCN(CCS(=O)(=O)N(C)C)[C@H]1C ZINC000335556859 136100172 /nfs/dbraw/zinc/10/01/72/136100172.db2.gz FYWJMYCDTVWXHK-QWRGUYRKSA-N 0 3 248.392 0.998 20 0 BCADHN C[C@H](CNC(=O)c1cnc2n[nH]nc2c1)N(C)C ZINC000348590174 136100846 /nfs/dbraw/zinc/10/08/46/136100846.db2.gz ADSHAWNQMDLNPX-SSDOTTSWSA-N 0 3 248.290 0.033 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC000335590005 136102969 /nfs/dbraw/zinc/10/29/69/136102969.db2.gz FHJMPYCCAURMJW-ONGXEEELSA-N 0 3 219.288 0.745 20 0 BCADHN Cc1cnn(CCN2CCN(C)C[C@@H]2C)c1 ZINC000335589963 136102996 /nfs/dbraw/zinc/10/29/96/136102996.db2.gz VHODFKGQISQBPU-LBPRGKRZSA-N 0 3 222.336 0.827 20 0 BCADHN O=C(NCC1CC1)N[C@H]1CNCCC1(F)F ZINC000335595579 136104676 /nfs/dbraw/zinc/10/46/76/136104676.db2.gz JDMNUDPTNNZFBG-QMMMGPOBSA-N 0 3 233.262 0.693 20 0 BCADHN C[C@@H]1NCCN(C(=O)NCC2CC2)[C@H]1C ZINC000335596684 136104994 /nfs/dbraw/zinc/10/49/94/136104994.db2.gz OZWNKDYMKHKOQP-IUCAKERBSA-N 0 3 211.309 0.788 20 0 BCADHN C[C@H]1NCCN(C(=O)NCC2CC2)[C@@H]1C ZINC000335596685 136105191 /nfs/dbraw/zinc/10/51/91/136105191.db2.gz OZWNKDYMKHKOQP-RKDXNWHRSA-N 0 3 211.309 0.788 20 0 BCADHN C[C@@H]1CCCN(CCN2CCNC2=O)C1 ZINC000335569357 136108825 /nfs/dbraw/zinc/10/88/25/136108825.db2.gz YKPRDFWUDHOSEU-SNVBAGLBSA-N 0 3 211.309 0.744 20 0 BCADHN COCC(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000335568940 136108870 /nfs/dbraw/zinc/10/88/70/136108870.db2.gz HYCODZZYWWXPOI-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@H]1CCCN(CCN2CCNC2=O)C1 ZINC000335569355 136108955 /nfs/dbraw/zinc/10/89/55/136108955.db2.gz YKPRDFWUDHOSEU-JTQLQIEISA-N 0 3 211.309 0.744 20 0 BCADHN CC1(C)CN(C(=O)[C@H](N)CC(F)F)CCN1 ZINC000335599285 136113945 /nfs/dbraw/zinc/11/39/45/136113945.db2.gz SXPCTNVSUJQOGT-SSDOTTSWSA-N 0 3 235.278 0.179 20 0 BCADHN CN(C[C@@H]1CCSC1)[C@H]1COC[C@H]1O ZINC000348650582 136115053 /nfs/dbraw/zinc/11/50/53/136115053.db2.gz TVEVRIVSBMUWTC-LPEHRKFASA-N 0 3 217.334 0.431 20 0 BCADHN O=C(COC(F)F)NCCN1CCCC1 ZINC000348666302 136116106 /nfs/dbraw/zinc/11/61/06/136116106.db2.gz VIWIZPSHQMHVAQ-UHFFFAOYSA-N 0 3 222.235 0.438 20 0 BCADHN CCN(Cc1cn(C)nc1C)C[C@H](C)O ZINC000348701268 136116267 /nfs/dbraw/zinc/11/62/67/136116267.db2.gz CRGPBVKWPFLFEE-VIFPVBQESA-N 0 3 211.309 0.931 20 0 BCADHN Cc1cccc(C(=O)N[C@@H](C)C[NH3+])c1[O-] ZINC000082577066 322861159 /nfs/dbraw/zinc/86/11/59/322861159.db2.gz YBPZNCYMRRCKMX-QMMMGPOBSA-N 0 3 208.261 0.778 20 0 BCADHN CC[C@H]1COCCN1C(=O)[C@@H]1NCC1(C)C ZINC000644015908 397750010 /nfs/dbraw/zinc/75/00/10/397750010.db2.gz VPOFYICEPZBIDH-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN COCCOC[C@H](C)NC(=O)[C@@H]1NCC1(C)C ZINC000644041123 397753887 /nfs/dbraw/zinc/75/38/87/397753887.db2.gz MTSOWJBBTNVUFU-UWVGGRQHSA-N 0 3 244.335 0.152 20 0 BCADHN CC(C)(CNC(=O)CN)[C@H]1CCCCO1 ZINC000381577031 397760712 /nfs/dbraw/zinc/76/07/12/397760712.db2.gz YSGARPFCMZDZLQ-SECBINFHSA-N 0 3 214.309 0.657 20 0 BCADHN CN(C)CC1(NS(C)(=O)=O)CCC1 ZINC000334198069 397767994 /nfs/dbraw/zinc/76/79/94/397767994.db2.gz OCVOSNNNHAWDBP-UHFFFAOYSA-N 0 3 206.311 0.020 20 0 BCADHN CC[C@@H](O)CN[C@@H](CO)CC(F)(F)F ZINC000647528506 397777280 /nfs/dbraw/zinc/77/72/80/397777280.db2.gz KYMHHKMPSSCTEJ-RNFRBKRXSA-N 0 3 215.215 0.660 20 0 BCADHN CCCCNC(=O)CN[C@@H](COC)C1CC1 ZINC000181571232 397810554 /nfs/dbraw/zinc/81/05/54/397810554.db2.gz GWMPMEMBAAPNOT-NSHDSACASA-N 0 3 228.336 0.917 20 0 BCADHN CN(C(=O)CN[C@@H](CCO)C(C)(C)C)C1CC1 ZINC000181468442 397806826 /nfs/dbraw/zinc/80/68/26/397806826.db2.gz JKPXCQUSHSWYIX-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)(C)[C@@H](CCO)NCC(=O)NC1CC1 ZINC000181470410 397806881 /nfs/dbraw/zinc/80/68/81/397806881.db2.gz FDPCSMRSBYZGKK-SNVBAGLBSA-N 0 3 228.336 0.652 20 0 BCADHN C[C@@H](NC[C@H]1CCCOC1)c1ncnn1C ZINC000336678320 397836603 /nfs/dbraw/zinc/83/66/03/397836603.db2.gz ABBXTXJNFZNISX-NXEZZACHSA-N 0 3 224.308 0.892 20 0 BCADHN CCN1C[C@@H](C)N(Cc2nnnn2C)C[C@H]1C ZINC000408048030 397840027 /nfs/dbraw/zinc/84/00/27/397840027.db2.gz UTYQFAWDHPFSCO-NXEZZACHSA-N 0 3 238.339 0.125 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F ZINC000309538264 397861804 /nfs/dbraw/zinc/86/18/04/397861804.db2.gz FVCQOKQDVSNNRI-BWBBJGPYSA-N 0 3 222.210 0.743 20 0 BCADHN COC(=O)CC1(CN2CC[C@@H](CO)C2)CC1 ZINC000440492693 397928181 /nfs/dbraw/zinc/92/81/81/397928181.db2.gz UZRLAJOHEIWFNM-SNVBAGLBSA-N 0 3 227.304 0.644 20 0 BCADHN CC[C@@H](OC)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000356558661 397931329 /nfs/dbraw/zinc/93/13/29/397931329.db2.gz VOTHVLHAQUIOSC-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN COC[C@H]1CCCN1C[C@@H]1CCC(=O)N1 ZINC000649548020 397938934 /nfs/dbraw/zinc/93/89/34/397938934.db2.gz JRTNIJPVJGFRHI-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@@](C)(CNC1COCCOC1)OC ZINC000322570895 397940045 /nfs/dbraw/zinc/94/00/45/397940045.db2.gz ZDNJBRWQKBXEOU-NSHDSACASA-N 0 3 217.309 0.807 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1NCC1(C)C ZINC000592022772 397941257 /nfs/dbraw/zinc/94/12/57/397941257.db2.gz FLLDYEMNQRLMJU-BDAKNGLRSA-N 0 3 242.319 0.252 20 0 BCADHN C[C@@H]1CN(CCCS(N)(=O)=O)[C@H]1C ZINC000382374614 397941499 /nfs/dbraw/zinc/94/14/99/397941499.db2.gz HMMYXZGOXJEQGI-SFYZADRCSA-N 0 3 206.311 0.005 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccc(C(N)=O)cc1 ZINC000266974802 397942128 /nfs/dbraw/zinc/94/21/28/397942128.db2.gz NMGZPBPHXMHOFW-UHFFFAOYSA-N 0 3 249.314 0.419 20 0 BCADHN CN(Cc1nnc2n1CCC2)C[C@H]1CCCN1C ZINC000649550679 397942819 /nfs/dbraw/zinc/94/28/19/397942819.db2.gz XEDLWKFFIDEQTH-LLVKDONJSA-N 0 3 249.362 0.750 20 0 BCADHN CN(CCOCC1CC1)C[C@@H]1CCC(=O)N1 ZINC000649550682 397942972 /nfs/dbraw/zinc/94/29/72/397942972.db2.gz XIPKURSETAPRON-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H]1[C@H](NC(=O)N2CCCO2)CCCN1C ZINC000359198733 397950565 /nfs/dbraw/zinc/95/05/65/397950565.db2.gz PXIUQEXHNVVOJL-VHSXEESVSA-N 0 3 227.308 0.816 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCOC3)[C@@H]2C1 ZINC000644815929 397955022 /nfs/dbraw/zinc/95/50/22/397955022.db2.gz SVQVFIBIVFUDQU-QJPTWQEYSA-N 0 3 238.331 0.576 20 0 BCADHN C[C@@H](O)[C@@H]1CCCN(C[C@@H]2CCC(=O)N2)C1 ZINC000649566671 397955040 /nfs/dbraw/zinc/95/50/40/397955040.db2.gz TURUAXGVEDPYJR-MXWKQRLJSA-N 0 3 226.320 0.358 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCCOC2)C1 ZINC000644815934 397955124 /nfs/dbraw/zinc/95/51/24/397955124.db2.gz SVQVFIBIVFUDQU-SRVKXCTJSA-N 0 3 238.331 0.576 20 0 BCADHN CC[C@@H](C(=O)NC(C)(C)CO)N(CC)CC ZINC000359687349 397956211 /nfs/dbraw/zinc/95/62/11/397956211.db2.gz XICVHSYQMAFBPP-JTQLQIEISA-N 0 3 230.352 0.994 20 0 BCADHN Cc1cc(CNC[C@H](CO)[C@H]2CCOC2)on1 ZINC000631126245 397956571 /nfs/dbraw/zinc/95/65/71/397956571.db2.gz QRFAWXYERJXAQA-WDEREUQCSA-N 0 3 240.303 0.718 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](CO)C1CC1)N(C)C ZINC000359777575 397956842 /nfs/dbraw/zinc/95/68/42/397956842.db2.gz ISTNCACZFZJLHF-MNOVXSKESA-N 0 3 228.336 0.461 20 0 BCADHN Cc1nc(N)nc(NC[C@@H]2CCCN(C)C2)n1 ZINC000302637283 397957381 /nfs/dbraw/zinc/95/73/81/397957381.db2.gz RZENCPAGIVGUTP-VIFPVBQESA-N 0 3 236.323 0.516 20 0 BCADHN C[C@H]1SCC[C@@H]1NC(=O)NCCN(C)C ZINC000645917445 397961188 /nfs/dbraw/zinc/96/11/88/397961188.db2.gz SDUHOVQIBRIMGR-BDAKNGLRSA-N 0 3 231.365 0.741 20 0 BCADHN CC(C)[C@H](CO)CNC(=O)/C=C/CN(C)C ZINC000492894261 397899987 /nfs/dbraw/zinc/89/99/87/397899987.db2.gz NXRSZOZFDHFIEV-QRGHLMKCSA-N 0 3 228.336 0.485 20 0 BCADHN CC(C)[C@@H](CO)CNC(=O)/C=C/CN(C)C ZINC000492894260 397900146 /nfs/dbraw/zinc/90/01/46/397900146.db2.gz NXRSZOZFDHFIEV-MVIFTORASA-N 0 3 228.336 0.485 20 0 BCADHN O=C1CC[C@@H](NCc2cccc3c2OCO3)CN1 ZINC000110910989 397904519 /nfs/dbraw/zinc/90/45/19/397904519.db2.gz PNKQEYKGOKTAJA-SNVBAGLBSA-N 0 3 248.282 0.784 20 0 BCADHN COCCCOCCN(C)C[C@@H]1CCC(=O)N1 ZINC000649573900 397963054 /nfs/dbraw/zinc/96/30/54/397963054.db2.gz UIRUQLMLTAFHNF-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN C[C@@H](CNC(=O)C1(C)COC1)N(C)C1CC1 ZINC000360305704 397963599 /nfs/dbraw/zinc/96/35/99/397963599.db2.gz WNRYPJINIOFZJA-VIFPVBQESA-N 0 3 226.320 0.622 20 0 BCADHN CCOCCN(CC)C[C@@H]1CCC(=O)N1 ZINC000649523179 397916971 /nfs/dbraw/zinc/91/69/71/397916971.db2.gz HKHSJNALMAHQCA-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CN1C[C@H]2CCN(C(=O)COCC3CC3)[C@@H]2C1 ZINC000644813206 397918750 /nfs/dbraw/zinc/91/87/50/397918750.db2.gz GJALWHVZQJCXAO-VXGBXAGGSA-N 0 3 238.331 0.576 20 0 BCADHN Cn1cncc1CN[C@@H]1CCN(C2CC2)C1 ZINC000082432859 397919058 /nfs/dbraw/zinc/91/90/58/397919058.db2.gz COXVLMNZPLNZIO-SNVBAGLBSA-N 0 3 220.320 0.746 20 0 BCADHN Cc1ocnc1C(=O)NC[C@H]1CCN(C)C1 ZINC000264663722 397922103 /nfs/dbraw/zinc/92/21/03/397922103.db2.gz NARQPSDLNOTZQM-SECBINFHSA-N 0 3 223.276 0.665 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)CC1(O)CCC1 ZINC000448601996 397922687 /nfs/dbraw/zinc/92/26/87/397922687.db2.gz ZOAACHKRRFIASI-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C[C@@H]2CCOC2)C1 ZINC000644814427 397925572 /nfs/dbraw/zinc/92/55/72/397925572.db2.gz KPYMTCGXBZQADD-SRVKXCTJSA-N 0 3 238.331 0.576 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccon2)C1 ZINC000644817669 397990046 /nfs/dbraw/zinc/99/00/46/397990046.db2.gz KLZDQMMVOJUGPV-WPRPVWTQSA-N 0 3 221.260 0.451 20 0 BCADHN CCN1CCN(C[C@@H]2CCC(=O)N2)[C@H](C)C1 ZINC000649610042 397995408 /nfs/dbraw/zinc/99/54/08/397995408.db2.gz GIDXGFDWHKTRJE-MNOVXSKESA-N 0 3 225.336 0.291 20 0 BCADHN CC[C@H]1CCC[C@H]1NC(=O)CN1CCNCC1 ZINC000388730806 397996296 /nfs/dbraw/zinc/99/62/96/397996296.db2.gz ZEVYZODMNSIHKB-NWDGAFQWSA-N 0 3 239.363 0.587 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Cc3ccco3)[C@H]2C1 ZINC000644818041 397997235 /nfs/dbraw/zinc/99/72/35/397997235.db2.gz KPPJXKWGQLVOET-PWSUYJOCSA-N 0 3 234.299 0.985 20 0 BCADHN CCN(C)CCNc1nnc(C)c(C)n1 ZINC000164490163 397998085 /nfs/dbraw/zinc/99/80/85/397998085.db2.gz ZMONNWZRSYDFAD-UHFFFAOYSA-N 0 3 209.297 0.852 20 0 BCADHN CN(C)CC[C@H](N)c1nc(-c2ncc[nH]2)no1 ZINC000650228992 397998560 /nfs/dbraw/zinc/99/85/60/397998560.db2.gz MQWPJQNJZXJMMM-ZETCQYMHSA-N 0 3 236.279 0.411 20 0 BCADHN CCN(C[C@@H]1CCC(=O)N1)[C@H]1CCOC1 ZINC000649615767 397998786 /nfs/dbraw/zinc/99/87/86/397998786.db2.gz QWTVGLXQLMIACD-UWVGGRQHSA-N 0 3 212.293 0.376 20 0 BCADHN Cc1nnsc1CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000649617025 397999508 /nfs/dbraw/zinc/99/95/08/397999508.db2.gz WFTSRVWYBQHIRY-UWVGGRQHSA-N 0 3 238.360 0.982 20 0 BCADHN C[C@@H]1C[C@H](CNCc2ncnn2C)CCO1 ZINC000388835676 398002666 /nfs/dbraw/zinc/00/26/66/398002666.db2.gz GWORHYYIKUHHRL-NXEZZACHSA-N 0 3 224.308 0.720 20 0 BCADHN Cn1cnc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000644818497 398004772 /nfs/dbraw/zinc/00/47/72/398004772.db2.gz MFXXYJPRNYJHMU-KOLCDFICSA-N 0 3 234.303 0.196 20 0 BCADHN C[C@H]1CN(CCO)CCN1CCC(C)(C)O ZINC000649624613 398005271 /nfs/dbraw/zinc/00/52/71/398005271.db2.gz QKOKXKKJOCIVEQ-NSHDSACASA-N 0 3 230.352 0.146 20 0 BCADHN Cn1nccc1[C@@H](CO)NC[C@H]1CCCN1C ZINC000649627548 398008719 /nfs/dbraw/zinc/00/87/19/398008719.db2.gz LFZQNVBEIDCNKH-GHMZBOCLSA-N 0 3 238.335 0.137 20 0 BCADHN C[C@H]1NCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1C ZINC000373055635 398010489 /nfs/dbraw/zinc/01/04/89/398010489.db2.gz FTOSMNPJIBEVDA-ROHXPCBUSA-N 0 3 238.331 0.763 20 0 BCADHN Cc1nccc(N2CCCN(CCO)CC2)n1 ZINC000071349738 398012648 /nfs/dbraw/zinc/01/26/48/398012648.db2.gz VJNJVMSXSSCHMV-UHFFFAOYSA-N 0 3 236.319 0.289 20 0 BCADHN CNC(=O)[C@H]1CCN(CCc2cncc(C)n2)C1 ZINC000649631832 398012911 /nfs/dbraw/zinc/01/29/11/398012911.db2.gz OHGZGLZRNORKSQ-NSHDSACASA-N 0 3 248.330 0.395 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCOC[C@H]1CCOC1 ZINC000645960821 398013771 /nfs/dbraw/zinc/01/37/71/398013771.db2.gz PYHNZSANEDIQQT-QWRGUYRKSA-N 0 3 244.335 0.139 20 0 BCADHN COC[C@H]1CCCN([C@H]2CC(=O)N(C)C2=O)C1 ZINC000354586051 398015134 /nfs/dbraw/zinc/01/51/34/398015134.db2.gz QYQUQIXYJMAMOL-UWVGGRQHSA-N 0 3 240.303 0.102 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCCSCC1 ZINC000042444668 398016048 /nfs/dbraw/zinc/01/60/48/398016048.db2.gz VFODHEOJXLJOKO-SECBINFHSA-N 0 3 216.350 0.935 20 0 BCADHN CC(C)O[C@@H]1CCN(C[C@@H]2CCC(=O)N2)C1 ZINC000649635148 398016542 /nfs/dbraw/zinc/01/65/42/398016542.db2.gz HKNSOSZWQYFTDS-WDEREUQCSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](N)C(=O)NCc1cn2ccccc2n1 ZINC000083909159 398035746 /nfs/dbraw/zinc/03/57/46/398035746.db2.gz RJBGDSFNXYARPV-QMMMGPOBSA-N 0 3 218.260 0.298 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000083909946 398036814 /nfs/dbraw/zinc/03/68/14/398036814.db2.gz OPSPNRGEAAHQST-MRVPVSSYSA-N 0 3 219.288 0.965 20 0 BCADHN CCC[C@H](C)[C@@H](CO)NCc1n[nH]c(C)n1 ZINC000649691899 398038514 /nfs/dbraw/zinc/03/85/14/398038514.db2.gz YACLCMZIVBFRIT-WCBMZHEXSA-N 0 3 226.324 1.000 20 0 BCADHN CCC[C@@]1(CO)CCN(CC(=O)N(C)C)C1 ZINC000367373991 397969364 /nfs/dbraw/zinc/96/93/64/397969364.db2.gz YZOXIDXWLPVQSM-GFCCVEGCSA-N 0 3 228.336 0.559 20 0 BCADHN COCC[C@@H](CO)NCc1c(C)nn(C)c1C ZINC000382681872 397969512 /nfs/dbraw/zinc/96/95/12/397969512.db2.gz SZWZGFGYYHTDPU-NSHDSACASA-N 0 3 241.335 0.524 20 0 BCADHN COCCn1cc(CN[C@H](C)C[C@H](C)O)cn1 ZINC000361033593 397969651 /nfs/dbraw/zinc/96/96/51/397969651.db2.gz TZIKLDBUEASSJC-MNOVXSKESA-N 0 3 241.335 0.779 20 0 BCADHN CC[C@@H]1[C@H](CO)CCN1C(=O)/C=C\CN(C)C ZINC000493700129 397971679 /nfs/dbraw/zinc/97/16/79/397971679.db2.gz ZRAMYKDZQKYAGQ-ABZJQCSKSA-N 0 3 240.347 0.724 20 0 BCADHN CC[C@@]1(CO)CCCN(C[C@@H]2CCC(=O)N2)C1 ZINC000649588883 397979807 /nfs/dbraw/zinc/97/98/07/397979807.db2.gz AZSYWAVOJKWKTQ-WCQYABFASA-N 0 3 240.347 0.750 20 0 BCADHN C[C@@H](CSCCF)N[C@H]1CCNC1=O ZINC000595054975 397980632 /nfs/dbraw/zinc/98/06/32/397980632.db2.gz XVTJHUHXWQRPCT-YUMQZZPRSA-N 0 3 220.313 0.556 20 0 BCADHN CC[C@@]1(O)CCN(C[C@@H]2CCC(=O)N2)C1 ZINC000649589534 397980946 /nfs/dbraw/zinc/98/09/46/397980946.db2.gz WKALFXSHYXQRQM-GXSJLCMTSA-N 0 3 212.293 0.112 20 0 BCADHN C[C@H]1SCCN(CCC(=O)NC(N)=O)[C@@H]1C ZINC000118418939 397983917 /nfs/dbraw/zinc/98/39/17/397983917.db2.gz RCZGIYRZZGOMRP-HTQZYQBOSA-N 0 3 245.348 0.397 20 0 BCADHN C[C@H](CO)CN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000650204823 397984346 /nfs/dbraw/zinc/98/43/46/397984346.db2.gz MZQBMYOEJABBAA-XHNCKOQMSA-N 0 3 241.253 0.860 20 0 BCADHN CN1CCC[C@@H]1CN1C[C@@H](O)CC(F)(F)C1 ZINC000649592138 397985992 /nfs/dbraw/zinc/98/59/92/397985992.db2.gz VPUUOTDEJIGRBN-ZJUUUORDSA-N 0 3 234.290 0.783 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Cc3cccnc3)[C@H]2C1 ZINC000644817573 397987461 /nfs/dbraw/zinc/98/74/61/397987461.db2.gz IUCJHUNPRVRUEZ-OLZOCXBDSA-N 0 3 245.326 0.787 20 0 BCADHN CO[C@H]1CCN(C[C@@H]2CCC(=O)N2)[C@H](C)C1 ZINC000649600053 397987576 /nfs/dbraw/zinc/98/75/76/397987576.db2.gz WEBVLNVQSOMMSG-VWYCJHECSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000382922670 397989127 /nfs/dbraw/zinc/98/91/27/397989127.db2.gz CPYFHQNJELBLES-YWVKMMECSA-N 0 3 226.320 0.811 20 0 BCADHN CCN(CCNC(=O)c1cnnn1C)C1CC1 ZINC000281754565 398063133 /nfs/dbraw/zinc/06/31/33/398063133.db2.gz WCOANBKIVUICNC-UHFFFAOYSA-N 0 3 237.307 0.029 20 0 BCADHN CC[C@@](C)(CN1CCN(C[C@@H](C)O)CC1)OC ZINC000638025876 398063142 /nfs/dbraw/zinc/06/31/42/398063142.db2.gz JNYZUAIROADUOB-OLZOCXBDSA-N 0 3 244.379 0.800 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1CCc1cn[nH]c1 ZINC000649764759 398092615 /nfs/dbraw/zinc/09/26/15/398092615.db2.gz OGEBTLGVQJEDIY-GHMZBOCLSA-N 0 3 225.292 0.034 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1CCOCC1CCC1 ZINC000649764599 398092649 /nfs/dbraw/zinc/09/26/49/398092649.db2.gz IAFTXBUWDVEUPQ-CHWSQXEVSA-N 0 3 243.347 0.885 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1CCc1cncn1C ZINC000649764814 398092717 /nfs/dbraw/zinc/09/27/17/398092717.db2.gz QKOFTKPFTHNLSI-VXGBXAGGSA-N 0 3 239.319 0.044 20 0 BCADHN Cc1nnsc1CNC[C@H](C)N(C)C ZINC000389292080 398068913 /nfs/dbraw/zinc/06/89/13/398068913.db2.gz ZXSDPXGOAVGRFB-ZETCQYMHSA-N 0 3 214.338 0.886 20 0 BCADHN CC[C@@](C)(N)c1cn(CCc2ccnn2C)nn1 ZINC000384169107 398069332 /nfs/dbraw/zinc/06/93/32/398069332.db2.gz MIARUZAOGPQPLY-GFCCVEGCSA-N 0 3 248.334 0.838 20 0 BCADHN COC[C@@H](C)NC(=O)[C@H](N)CC(F)F ZINC000389300630 398069899 /nfs/dbraw/zinc/06/98/99/398069899.db2.gz LWGMXZKOZFCTLS-PHDIDXHHSA-N 0 3 210.224 0.120 20 0 BCADHN CC[C@@](C)(N)c1cn(C[C@H](C)OC)nn1 ZINC000384191288 398072770 /nfs/dbraw/zinc/07/27/70/398072770.db2.gz VRZZPYHHHZLPTB-WCBMZHEXSA-N 0 3 212.297 0.897 20 0 BCADHN CN(C)C/C=C\C(=O)Nc1nnc2ccccn21 ZINC000491853818 398075344 /nfs/dbraw/zinc/07/53/44/398075344.db2.gz WGNGUZJNUDZPRY-ALCCZGGFSA-N 0 3 245.286 0.786 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2cncn2C)nn1 ZINC000384214550 398075526 /nfs/dbraw/zinc/07/55/26/398075526.db2.gz PZVOMIOHEPUIGU-NSHDSACASA-N 0 3 234.307 0.644 20 0 BCADHN C[C@H](N)C(=O)NCCCc1nnc2ccccn21 ZINC000340176577 398075870 /nfs/dbraw/zinc/07/58/70/398075870.db2.gz HDDHGBDCRYIGFE-VIFPVBQESA-N 0 3 247.302 0.125 20 0 BCADHN C[C@@H](O)CN1CC=C(c2ccnn2C)CC1 ZINC000285653016 398080019 /nfs/dbraw/zinc/08/00/19/398080019.db2.gz PHJIVNVNBUTYEP-SNVBAGLBSA-N 0 3 221.304 0.890 20 0 BCADHN CC[C@H]1CCN([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000125190990 398094822 /nfs/dbraw/zinc/09/48/22/398094822.db2.gz MJBFMXFWBSQFNJ-IUCAKERBSA-N 0 3 227.308 0.562 20 0 BCADHN CCN(C#N)CCN1CC[C@H](Cn2ccnn2)C1 ZINC000602883787 398081888 /nfs/dbraw/zinc/08/18/88/398081888.db2.gz MJXNTXLTZIQQKW-LBPRGKRZSA-N 0 3 248.334 0.403 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1C[C@H](O)CCC(C)C ZINC000649744591 398082192 /nfs/dbraw/zinc/08/21/92/398082192.db2.gz GAZGQGVWBAPMRN-YNEHKIRRSA-N 0 3 245.363 0.865 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N1CCNC(=O)[C@@H]1C ZINC000637963177 398055624 /nfs/dbraw/zinc/05/56/24/398055624.db2.gz KRXICEWUVQJUHT-VHSXEESVSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2(N)CCCC2)[C@H](C)O1 ZINC000384617839 398099550 /nfs/dbraw/zinc/09/95/50/398099550.db2.gz PPLYJGCLKIHHMO-UTLUCORTSA-N 0 3 226.320 0.940 20 0 BCADHN CC(C)[C@@H]1CNCCN1C(=O)CNC1CC1 ZINC000638490002 398100987 /nfs/dbraw/zinc/10/09/87/398100987.db2.gz SLKVSKOKDJLEHI-NSHDSACASA-N 0 3 225.336 0.195 20 0 BCADHN O=C1CCCN1[C@H]1CCCN(CCCCO)C1 ZINC000304061555 398105389 /nfs/dbraw/zinc/10/53/89/398105389.db2.gz PPUMKRLMMZJQBU-LBPRGKRZSA-N 0 3 240.347 0.846 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCC([C@H](C)CO)CC1 ZINC000649797735 398105752 /nfs/dbraw/zinc/10/57/52/398105752.db2.gz GMQRCUHOAJYIPX-MFKMUULPSA-N 0 3 243.347 0.667 20 0 BCADHN C[C@@H](NC(=O)C(=O)N(C)CCN)C1CCCC1 ZINC000418887512 398106180 /nfs/dbraw/zinc/10/61/80/398106180.db2.gz BERQVCXUCFAFCU-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN COCCOCCN1CCC([C@@H](C)CO)CC1 ZINC000649798979 398107505 /nfs/dbraw/zinc/10/75/05/398107505.db2.gz LTGJGMTXTVZTAG-LBPRGKRZSA-N 0 3 245.363 0.990 20 0 BCADHN Cc1nn(C)c2ncc(NC(=O)[C@H]3CCN3)cc12 ZINC000384838398 398108068 /nfs/dbraw/zinc/10/80/68/398108068.db2.gz RDCCCZJRZWOFLX-SNVBAGLBSA-N 0 3 245.286 0.577 20 0 BCADHN Cc1c[nH]nc1CN1CC[C@@](C)(C(N)=O)C1 ZINC000291581902 398096741 /nfs/dbraw/zinc/09/67/41/398096741.db2.gz OYDSZXJEXHSIOR-LLVKDONJSA-N 0 3 222.292 0.415 20 0 BCADHN CCOC(=O)N[C@H](CNC(=O)CN)CC(C)C ZINC000236918992 398117385 /nfs/dbraw/zinc/11/73/85/398117385.db2.gz COYZBCDAJNENLT-VIFPVBQESA-N 0 3 245.323 0.222 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C[C@H]2CNCCO2)[C@@H](C)O1 ZINC000384968687 398121662 /nfs/dbraw/zinc/12/16/62/398121662.db2.gz SVCFLQDUVFNPQX-ZNSHCXBVSA-N 0 3 242.319 0.047 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1cnn(CCF)c1 ZINC000638535232 398119730 /nfs/dbraw/zinc/11/97/30/398119730.db2.gz KWRCRJGKWWAFTB-QMMMGPOBSA-N 0 3 228.271 0.789 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)COC2(C)CNC2)[C@@H](C)O1 ZINC000384860235 398113564 /nfs/dbraw/zinc/11/35/64/398113564.db2.gz HAJVECXTJIDKEL-OPRDCNLKSA-N 0 3 242.319 0.047 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCCN2CCO)C[C@@H](C)O1 ZINC000245408775 398115203 /nfs/dbraw/zinc/11/52/03/398115203.db2.gz IWCFAPYQHWWKFG-JHJVBQTASA-N 0 3 242.363 0.552 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)CC(=O)OC ZINC000303392296 171371716 /nfs/dbraw/zinc/37/17/16/171371716.db2.gz YDNAVXWMPAHMRS-QXFUBDJGSA-N 0 3 230.308 0.428 20 0 BCADHN Cc1nocc1CNC(=O)NC[C@H](C)N(C)C ZINC000637196761 398125810 /nfs/dbraw/zinc/12/58/10/398125810.db2.gz XPLVTOXRZAHQOS-QMMMGPOBSA-N 0 3 240.307 0.732 20 0 BCADHN Cc1cncn1CC(=O)N1CCNC(C)(C)C1 ZINC000528767116 398126371 /nfs/dbraw/zinc/12/63/71/398126371.db2.gz LMLJNLWFPGNGSB-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN CN(CCO[C@H]1CCCCO1)CCC(N)=O ZINC000353207974 398129871 /nfs/dbraw/zinc/12/98/71/398129871.db2.gz ZUJAHCXYJIOZDL-NSHDSACASA-N 0 3 230.308 0.337 20 0 BCADHN CC[C@H](CCO)NC(=O)N[C@H](C)CN(C)C ZINC000353720671 171427234 /nfs/dbraw/zinc/42/72/34/171427234.db2.gz CSRGSURKGMWLOY-NXEZZACHSA-N 0 3 231.340 0.397 20 0 BCADHN Cc1cc(C)n(CCN2CC[C@@H](O)C2)n1 ZINC000265112624 398130169 /nfs/dbraw/zinc/13/01/69/398130169.db2.gz CMHKJWNEXUXHEF-LLVKDONJSA-N 0 3 209.293 0.567 20 0 BCADHN COC[C@H](CO)NCc1ccncc1C ZINC000385085677 398132246 /nfs/dbraw/zinc/13/22/46/398132246.db2.gz ZZUIYYXJSPPMKH-NSHDSACASA-N 0 3 210.277 0.487 20 0 BCADHN CN(C)c1ncc(CNC[C@H]2CCCO2)cn1 ZINC000295117491 398133197 /nfs/dbraw/zinc/13/31/97/398133197.db2.gz WBDQUGMCXAGPPQ-LLVKDONJSA-N 0 3 236.319 0.811 20 0 BCADHN COCCCN1CCC([C@@H](O)C(=O)OC)CC1 ZINC000135388287 398134551 /nfs/dbraw/zinc/13/45/51/398134551.db2.gz LCUYVNFQUFNKBZ-LLVKDONJSA-N 0 3 245.319 0.269 20 0 BCADHN CC(C)NC(=O)CN(CCO)[C@@H]1CC[C@H](C)C1 ZINC000331151578 167051728 /nfs/dbraw/zinc/05/17/28/167051728.db2.gz CAIBQOIMGPRCDC-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)SCCN(C)C ZINC000120228826 173289012 /nfs/dbraw/zinc/28/90/12/173289012.db2.gz IFWFQBRURDUIKH-ZETCQYMHSA-N 0 3 233.337 0.125 20 0 BCADHN CC(C)NC(=O)CN1CCCC[C@@H]1CCO ZINC000049801254 167051879 /nfs/dbraw/zinc/05/18/79/167051879.db2.gz VZVXKADJULJOPY-LLVKDONJSA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)NC(=O)CN(CCO)[C@H]1CC[C@H](C)C1 ZINC000331151580 167052955 /nfs/dbraw/zinc/05/29/55/167052955.db2.gz CAIBQOIMGPRCDC-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CCCSC1 ZINC000061573229 167057526 /nfs/dbraw/zinc/05/75/26/167057526.db2.gz OWFFGAYEFJPHIW-SECBINFHSA-N 0 3 216.350 0.996 20 0 BCADHN COC1CCN(C(=O)CNC2CC2)CC1 ZINC000037654658 174024149 /nfs/dbraw/zinc/02/41/49/174024149.db2.gz XHJIBTCUMRHKQS-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN CC(C)NS(=O)(=O)NCC1=CCN(C)CC1 ZINC000354617201 167126260 /nfs/dbraw/zinc/12/62/60/167126260.db2.gz SVWNXDIUOGASAB-UHFFFAOYSA-N 0 3 247.364 0.081 20 0 BCADHN CSCCCNC(=O)[C@@]1(F)CCNC1 ZINC000308966151 175486007 /nfs/dbraw/zinc/48/60/07/175486007.db2.gz VURUYHCUVGZZNY-SECBINFHSA-N 0 3 220.313 0.557 20 0 BCADHN CCN(CC)CC(=O)NCC(C)(C)CO ZINC000119638827 487559155 /nfs/dbraw/zinc/55/91/55/487559155.db2.gz TZOHANOWVDCATR-UHFFFAOYSA-N 0 3 216.325 0.463 20 0 BCADHN COC1CCN(CCNCc2ncc[nH]2)CC1 ZINC000674334695 487562070 /nfs/dbraw/zinc/56/20/70/487562070.db2.gz APYWQWMUDUBSGE-UHFFFAOYSA-N 0 3 238.335 0.610 20 0 BCADHN C[C@@H]1CN(Cc2cn[nH]c2)[C@@H](C)CN1CCO ZINC000669574483 487564230 /nfs/dbraw/zinc/56/42/30/487564230.db2.gz PXJGYGHKDFOATJ-MNOVXSKESA-N 0 3 238.335 0.297 20 0 BCADHN O=C(CNC1CC1)NCCOC[C@H]1CCCO1 ZINC000238164758 487569075 /nfs/dbraw/zinc/56/90/75/487569075.db2.gz DFVDWTSKESDMAE-LLVKDONJSA-N 0 3 242.319 0.050 20 0 BCADHN OCc1cn(CCN2CCCCC2)nn1 ZINC000052221755 487573294 /nfs/dbraw/zinc/57/32/94/487573294.db2.gz VGOVBQGULXMKPN-UHFFFAOYSA-N 0 3 210.281 0.256 20 0 BCADHN Cc1n[nH]cc1CN(C)C1(CO)CCOCC1 ZINC000668806177 487573621 /nfs/dbraw/zinc/57/36/21/487573621.db2.gz XMGUMTYDLOHWIN-UHFFFAOYSA-N 0 3 239.319 0.691 20 0 BCADHN CN1CCC[C@@H](CNC(=O)C2(O)CCC2)C1 ZINC000680359716 487574298 /nfs/dbraw/zinc/57/42/98/487574298.db2.gz YRQXPZDXDSMDDE-JTQLQIEISA-N 0 3 226.320 0.359 20 0 BCADHN CO[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N ZINC000153752513 487575005 /nfs/dbraw/zinc/57/50/05/487575005.db2.gz ZNOAOJGTEHTCJJ-DJLDLDEBSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@@H](NC(=O)CN)[C@H](O)Cc1ccccc1 ZINC000521046489 322900103 /nfs/dbraw/zinc/90/01/03/322900103.db2.gz UOFSTYHZKSCYDT-MWLCHTKSSA-N 0 3 222.288 0.053 20 0 BCADHN CC(C)NCC(=O)NCC(C)(C)C[C@H](C)O ZINC000393595813 487575842 /nfs/dbraw/zinc/57/58/42/487575842.db2.gz YPNXEAANEAKICB-JTQLQIEISA-N 0 3 230.352 0.898 20 0 BCADHN CC[C@@H](C)OCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659386835 487576052 /nfs/dbraw/zinc/57/60/52/487576052.db2.gz IMSJNVYQKKSQCT-OPRDCNLKSA-N 0 3 232.299 0.699 20 0 BCADHN CCN(Cc1cnn(C)c1)C[C@@H](C)CO ZINC000120782818 490068560 /nfs/dbraw/zinc/06/85/60/490068560.db2.gz WXYAWYDLIKZBLA-SNVBAGLBSA-N 0 3 211.309 0.870 20 0 BCADHN CC(C)OCCCNC(=O)[C@H](N)CC(F)F ZINC000309175080 167219811 /nfs/dbraw/zinc/21/98/11/167219811.db2.gz BXRWYVGRBYACAN-MRVPVSSYSA-N 0 3 238.278 0.900 20 0 BCADHN CCC(=O)N[C@H]1CCCN(C[C@@H](C)CO)C1 ZINC000120750121 490068629 /nfs/dbraw/zinc/06/86/29/490068629.db2.gz PFCREGIKWTUNTJ-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN O[C@@H]1C[C@H](O)CN(CCc2ccccn2)C1 ZINC000674464600 487579620 /nfs/dbraw/zinc/57/96/20/487579620.db2.gz BTCWEUBYMAWSGP-TXEJJXNPSA-N 0 3 222.288 0.052 20 0 BCADHN CC(C)[C@H]1C[C@H](N[C@H]2CCNC2=O)CS1 ZINC000668813436 487580228 /nfs/dbraw/zinc/58/02/28/487580228.db2.gz FOURUILRFOYJCE-LPEHRKFASA-N 0 3 228.361 0.995 20 0 BCADHN CC(C)OCCN[C@@H](C(N)=O)C(C)(C)C ZINC000109330916 167243084 /nfs/dbraw/zinc/24/30/84/167243084.db2.gz RCUZDZDVCBXELO-VIFPVBQESA-N 0 3 216.325 0.901 20 0 BCADHN CC(C)OCCN[C@@H](CO)[C@H]1CCCO1 ZINC000308925129 167243093 /nfs/dbraw/zinc/24/30/93/167243093.db2.gz DBYWSOUPBVMEPG-WDEREUQCSA-N 0 3 217.309 0.541 20 0 BCADHN CC(C)OCCN[C@@](C)(C(N)=O)C(C)C ZINC000336679830 167244731 /nfs/dbraw/zinc/24/47/31/167244731.db2.gz ISVGAORCAWLXRN-LLVKDONJSA-N 0 3 216.325 0.901 20 0 BCADHN CC(C)OC[C@@H](C)NC[C@@H]1CN(C)CCN1C ZINC000337346117 167255170 /nfs/dbraw/zinc/25/51/70/167255170.db2.gz VUYIEMPJUIZNOB-CHWSQXEVSA-N 0 3 243.395 0.635 20 0 BCADHN CC(C)OC[C@H](C)NCC(=O)NCC1CC1 ZINC000336757415 167263109 /nfs/dbraw/zinc/26/31/09/167263109.db2.gz YZCFOJGEOCBEIV-JTQLQIEISA-N 0 3 228.336 0.916 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@@H](O)C[C@H]1C ZINC000308754415 167270026 /nfs/dbraw/zinc/27/00/26/167270026.db2.gz URLGUNOQMAHOMP-OUAUKWLOSA-N 0 3 217.309 0.227 20 0 BCADHN CC(C)OC[C@H](O)CN[C@H](C)c1cnn(C)c1 ZINC000273281984 167270416 /nfs/dbraw/zinc/27/04/16/167270416.db2.gz ISVAXSNNCFJLFH-ZYHUDNBSSA-N 0 3 241.335 0.857 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1CS[C@@H](C)C1 ZINC000086934891 487592063 /nfs/dbraw/zinc/59/20/63/487592063.db2.gz LTDJBNCYMQCIKS-XHNCKOQMSA-N 0 3 216.350 0.995 20 0 BCADHN CC[C@@H](NC[C@@H](O)COC)[C@H](O)C(F)(F)F ZINC000565540000 322916063 /nfs/dbraw/zinc/91/60/63/322916063.db2.gz HRUFDSPMZQWDEL-PRJMDXOYSA-N 0 3 245.241 0.285 20 0 BCADHN CCN1CC[C@@H](N[C@H]2COCC2(C)C)C1=O ZINC000660737560 487592385 /nfs/dbraw/zinc/59/23/85/487592385.db2.gz NVTVXNBJOUKUBI-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](CO)CN1CCCC[C@@]1(C)C(N)=O ZINC000680433502 487592743 /nfs/dbraw/zinc/59/27/43/487592743.db2.gz MVVKGNVEAZQAHC-ONGXEEELSA-N 0 3 214.309 0.345 20 0 BCADHN CO[C@@H](CN1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000653828990 487594838 /nfs/dbraw/zinc/59/48/38/487594838.db2.gz PBIFSSLNJIOULM-XQQFMLRXSA-N 0 3 240.347 0.162 20 0 BCADHN COC[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC000674592085 487597776 /nfs/dbraw/zinc/59/77/76/487597776.db2.gz WDHLCJYRNHQJTK-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)Cc2cc[nH]n2)C1 ZINC000531058673 487600833 /nfs/dbraw/zinc/60/08/33/487600833.db2.gz OMOHZAYDQIVJBS-SNVBAGLBSA-N 0 3 236.319 0.410 20 0 BCADHN COCCN(C)CCNC(=O)[C@H]1CC12CCC2 ZINC000675321901 487609649 /nfs/dbraw/zinc/60/96/49/487609649.db2.gz HVGLBHZIVNHIBS-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN CCCCCN(CCO)C[C@H]1CNCCO1 ZINC000662249537 409548649 /nfs/dbraw/zinc/54/86/49/409548649.db2.gz WNOHFGQPUKFDHH-GFCCVEGCSA-N 0 3 230.352 0.459 20 0 BCADHN C[C@H]1CN(C(=O)C2(NC3CC3)CCC2)CCN1 ZINC000662416787 409704547 /nfs/dbraw/zinc/70/45/47/409704547.db2.gz BFJIIQGYWZQAFV-JTQLQIEISA-N 0 3 237.347 0.481 20 0 BCADHN C[C@@H]1CN(C(=O)c2cccc3c2CNC3)CCN1 ZINC000662417454 409706232 /nfs/dbraw/zinc/70/62/32/409706232.db2.gz HOWDKPLWGZNDHK-SNVBAGLBSA-N 0 3 245.326 0.724 20 0 BCADHN CC[C@H](NC)C(=O)N1CCCC[C@@H]1C(=O)NC ZINC000662489480 409732670 /nfs/dbraw/zinc/73/26/70/409732670.db2.gz RRMDYAXIMRDPDM-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CN(C)C(=O)C1(NC[C@H]2CCC[C@@H](O)C2)CC1 ZINC000660801204 409761775 /nfs/dbraw/zinc/76/17/75/409761775.db2.gz PILQHTRILDYFAR-WDEREUQCSA-N 0 3 240.347 0.748 20 0 BCADHN CCN(CC)CC(=O)NCC1(COC)CC1 ZINC000655262467 409763883 /nfs/dbraw/zinc/76/38/83/409763883.db2.gz ZNDMECFKUMVTQB-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN COCC1(CNC(=O)C2CCN(C)CC2)CC1 ZINC000655260072 409764993 /nfs/dbraw/zinc/76/49/93/409764993.db2.gz IFLSJEREILNSLJ-UHFFFAOYSA-N 0 3 240.347 0.871 20 0 BCADHN C[C@@H](CNC(=O)CC(F)(F)CN)N(C)C ZINC000653112970 409821230 /nfs/dbraw/zinc/82/12/30/409821230.db2.gz OLBRDEKCWIAGKH-ZETCQYMHSA-N 0 3 223.267 0.037 20 0 BCADHN C[C@H](CNC(=O)CC(F)(F)CN)N(C)C ZINC000653112969 409821811 /nfs/dbraw/zinc/82/18/11/409821811.db2.gz OLBRDEKCWIAGKH-SSDOTTSWSA-N 0 3 223.267 0.037 20 0 BCADHN O=C([C@H]1CC12CC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294211 409829834 /nfs/dbraw/zinc/82/98/34/409829834.db2.gz OUURERFQQAZAMK-HBNTYKKESA-N 0 3 236.315 0.064 20 0 BCADHN C[NH+](C)CC[C@@H](N)C(=O)Nc1ccccc1[O-] ZINC000653130049 409844890 /nfs/dbraw/zinc/84/48/90/409844890.db2.gz SUTOPLZNDDOFSR-SECBINFHSA-N 0 3 237.303 0.610 20 0 BCADHN C[C@@H](O)[C@H](N[C@H](C)CC(N)=O)c1ccccc1 ZINC000658361712 409850424 /nfs/dbraw/zinc/85/04/24/409850424.db2.gz OETNYORGTNKOGJ-BREBYQMCSA-N 0 3 236.315 0.962 20 0 BCADHN CN(C)CC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655350328 409922712 /nfs/dbraw/zinc/92/27/12/409922712.db2.gz IDWJYPCEFQANQE-RYUDHWBXSA-N 0 3 239.363 0.681 20 0 BCADHN CC(C)(O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655348388 409923179 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226.320 0.670 20 0 BCADHN Cc1nc(CN[C@@H](CO)C2CCC2)n[nH]1 ZINC000661151609 410304408 /nfs/dbraw/zinc/30/44/08/410304408.db2.gz FCPTYNIXXWEERO-VIFPVBQESA-N 0 3 210.281 0.364 20 0 BCADHN CC(C)CNC(=O)CN[C@@H](CO)C1CCC1 ZINC000661155359 410308266 /nfs/dbraw/zinc/30/82/66/410308266.db2.gz FBGGGHOZGVINQY-NSHDSACASA-N 0 3 228.336 0.509 20 0 BCADHN CCN(C)C(=O)CN1CCCCC[C@@H]1CO ZINC000124848095 410312533 /nfs/dbraw/zinc/31/25/33/410312533.db2.gz JSGDIXLWUXFIGZ-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN NCc1cccc(NC(=O)NC/C=C\CO)c1 ZINC000659019057 410314225 /nfs/dbraw/zinc/31/42/25/410314225.db2.gz SPDKYDQOWURANR-UPHRSURJSA-N 0 3 235.287 0.815 20 0 BCADHN NC[C@@H](C(=O)N[C@H]1CCOC1)c1ccccc1 ZINC000131324159 410416522 /nfs/dbraw/zinc/41/65/22/410416522.db2.gz CRXBDURVESACQL-NWDGAFQWSA-N 0 3 234.299 0.634 20 0 BCADHN CN(C)C[C@@H](CO)Nc1ncc(Cl)cn1 ZINC000663910600 410370292 /nfs/dbraw/zinc/37/02/92/410370292.db2.gz KQDIPSMDVYYXDY-QMMMGPOBSA-N 0 3 230.699 0.464 20 0 BCADHN 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ZINC000181008300 169762924 /nfs/dbraw/zinc/76/29/24/169762924.db2.gz WHUAXCVDFQBDRR-UHFFFAOYSA-N 0 3 240.307 0.678 20 0 BCADHN CN(CCN1CCCCC1)C(=O)C1(N)CC1 ZINC000653274648 410555142 /nfs/dbraw/zinc/55/51/42/410555142.db2.gz LKURBTGUUOIHAE-UHFFFAOYSA-N 0 3 225.336 0.422 20 0 BCADHN CN(CC1CN(C)C1)c1ncnc2c1cnn2C ZINC000664332579 410556984 /nfs/dbraw/zinc/55/69/84/410556984.db2.gz XKXDIXAEUFGJQU-UHFFFAOYSA-N 0 3 246.318 0.361 20 0 BCADHN COCCNCC(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000653275641 410561118 /nfs/dbraw/zinc/56/11/18/410561118.db2.gz KQGMUHJUYSQAMQ-SNVBAGLBSA-N 0 3 248.273 0.480 20 0 BCADHN O=C1C[C@H](N2CC[C@@H](C3CCC3)C2)C(=O)N1 ZINC000653282134 410638430 /nfs/dbraw/zinc/63/84/30/410638430.db2.gz NFOSRCAUZPEXPB-ZJUUUORDSA-N 0 3 222.288 0.524 20 0 BCADHN COC[C@H](C)CN1CCN(CCO)[C@H](C)C1 ZINC000188587963 410691842 /nfs/dbraw/zinc/69/18/42/410691842.db2.gz GEZMCBUKOCIRIR-VXGBXAGGSA-N 0 3 230.352 0.267 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000665110588 410693277 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/nfs/dbraw/zinc/79/61/11/410796111.db2.gz UWFJHGKPCJJBEE-SECBINFHSA-N 0 3 225.292 0.592 20 0 BCADHN Cc1cnc(CCNC(=O)[C@H](C)N)c(C)c1 ZINC000655488574 410798553 /nfs/dbraw/zinc/79/85/53/410798553.db2.gz HYZFTXFQANVWIF-JTQLQIEISA-N 0 3 221.304 0.704 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000651102262 410810233 /nfs/dbraw/zinc/81/02/33/410810233.db2.gz MZLLTZLNFUSNAJ-LMLFDSFASA-N 0 3 208.305 0.805 20 0 BCADHN CC(C)(CO)NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000680593955 487618961 /nfs/dbraw/zinc/61/89/61/487618961.db2.gz FAFLXTOJNWYLGA-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN CCC(C)(C)N1CCN(C(=O)C2(N)CC2)CC1 ZINC000655494862 410877101 /nfs/dbraw/zinc/87/71/01/410877101.db2.gz PFEJFYNLVPYPKC-UHFFFAOYSA-N 0 3 239.363 0.811 20 0 BCADHN Cc1cc(CC(=O)N[C@H]2CCCN(C)C2)on1 ZINC000651265269 410892190 /nfs/dbraw/zinc/89/21/90/410892190.db2.gz MXZJTMRKDBADJT-JTQLQIEISA-N 0 3 237.303 0.736 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCCn1ccnc1 ZINC000041051035 410903853 /nfs/dbraw/zinc/90/38/53/410903853.db2.gz ZQGWFZXBTHYSAL-SNVBAGLBSA-N 0 3 224.308 0.373 20 0 BCADHN CC(C)N1CC[C@H](N2CC[C@H]([C@H](C)O)C2)C1=O ZINC000305839950 167024915 /nfs/dbraw/zinc/02/49/15/167024915.db2.gz YRSWGUDRMSBUOR-SRVKXCTJSA-N 0 3 240.347 0.698 20 0 BCADHN CC(C)NC(=O)C1=NO[C@]2(C1)CCCNC2 ZINC000096091963 167037494 /nfs/dbraw/zinc/03/74/94/167037494.db2.gz BHZBDQIHTWPJES-NSHDSACASA-N 0 3 225.292 0.410 20 0 BCADHN CC(C)NC(=O)CCN1CCN(C)[C@@H](C)[C@H]1C ZINC000356977219 167038679 /nfs/dbraw/zinc/03/86/79/167038679.db2.gz CKQSEMNYJWXCOT-NWDGAFQWSA-N 0 3 241.379 0.926 20 0 BCADHN CC(C)NC(=O)CCNC(=O)[C@H]1CCCCN1 ZINC000135190085 167042059 /nfs/dbraw/zinc/04/20/59/167042059.db2.gz LHYXPWCLQJOZRQ-SNVBAGLBSA-N 0 3 241.335 0.159 20 0 BCADHN CC(C)NC(=O)CCN[C@H](C)c1ccnn1C ZINC000192252744 167044077 /nfs/dbraw/zinc/04/40/77/167044077.db2.gz IFSUMEZXYVMFBV-SNVBAGLBSA-N 0 3 238.335 0.985 20 0 BCADHN CC(C)NC(=O)CCN[C@H](C)c1cn[nH]c1 ZINC000274133456 167044720 /nfs/dbraw/zinc/04/47/20/167044720.db2.gz WKICCMKDEXEHDU-SECBINFHSA-N 0 3 224.308 0.975 20 0 BCADHN CC(C)NC(=O)CN(C)C(=O)/C=C/CN(C)C ZINC000265623457 167046714 /nfs/dbraw/zinc/04/67/14/167046714.db2.gz HVOJZODRRLMAGC-VOTSOKGWSA-N 0 3 241.335 0.087 20 0 BCADHN CC(C)NC(=O)CN(C[C@@H](C)O)C(C)C ZINC000303987183 167051434 /nfs/dbraw/zinc/05/14/34/167051434.db2.gz JBCMYLKJJQCIBB-SNVBAGLBSA-N 0 3 216.325 0.602 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@H]1CCCO ZINC000052761853 167051860 /nfs/dbraw/zinc/05/18/60/167051860.db2.gz GNRDVISLYBTDNA-NSHDSACASA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)NC(=O)CN1CCCC[C@@H](CO)C1 ZINC000374051253 167052712 /nfs/dbraw/zinc/05/27/12/167052712.db2.gz QOOCDRJXBLYBHR-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)NC(=O)CNC[C@H](O)c1ccccc1 ZINC000035101983 167058310 /nfs/dbraw/zinc/05/83/10/167058310.db2.gz AEABDQZJEWFOHH-LBPRGKRZSA-N 0 3 236.315 0.834 20 0 BCADHN CC(C)NC(=O)CNC[C@@H]1CCC=CO1 ZINC000050267954 167058372 /nfs/dbraw/zinc/05/83/72/167058372.db2.gz WMGACQHIPPTOMV-JTQLQIEISA-N 0 3 212.293 0.793 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCc1cc[nH]n1 ZINC000041016306 410902847 /nfs/dbraw/zinc/90/28/47/410902847.db2.gz JZRBLVHYQRBYOT-SECBINFHSA-N 0 3 210.281 0.399 20 0 BCADHN CC(C)NCC(=O)N(C)CC(=O)N1CCCC1 ZINC000037818236 167094803 /nfs/dbraw/zinc/09/48/03/167094803.db2.gz FETWWADFVVPVJI-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CC(C)NCC(=O)N[C@H](C)CN1CCCC1=O ZINC000037769300 167096633 /nfs/dbraw/zinc/09/66/33/167096633.db2.gz PFXIRFKAJXDLMK-SNVBAGLBSA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)NCC(=O)N1C[C@H](C)OC[C@H]1C ZINC000037477161 167098451 /nfs/dbraw/zinc/09/84/51/167098451.db2.gz MILMAMXZNXDGOS-ZJUUUORDSA-N 0 3 214.309 0.620 20 0 BCADHN CC(C)OC(=O)CCN1C[C@H](O)C[C@H]1C ZINC000340906296 167157014 /nfs/dbraw/zinc/15/70/14/167157014.db2.gz KXHSOOUTWQZILL-NXEZZACHSA-N 0 3 215.293 0.783 20 0 BCADHN CC(C)OCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000310473437 167178027 /nfs/dbraw/zinc/17/80/27/167178027.db2.gz ZZFKMEXBVCHLTL-GFCCVEGCSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)OCC(=O)N1CCC[C@@H]1CN(C)C ZINC000122947677 167180811 /nfs/dbraw/zinc/18/08/11/167180811.db2.gz OODWOZOOJYEMOB-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)OCCCNC(=O)C(C)(C)N ZINC000040925206 167219224 /nfs/dbraw/zinc/21/92/24/167219224.db2.gz UMTGWDBGLIRUGS-UHFFFAOYSA-N 0 3 202.298 0.655 20 0 BCADHN CC(C)OCCCNC(=O)C(N)C(F)(F)F ZINC000353149483 167221016 /nfs/dbraw/zinc/22/10/16/167221016.db2.gz MRRJRKRGXNHQCX-ZETCQYMHSA-N 0 3 242.241 0.807 20 0 BCADHN CC(C)OCCN(C)[C@H]1COC[C@@H]1O ZINC000308520373 167228229 /nfs/dbraw/zinc/22/82/29/167228229.db2.gz HIDZLPOUOSIVKX-UWVGGRQHSA-N 0 3 203.282 0.103 20 0 BCADHN CC(C)OCCN[C@@H]1C(=O)NCC[C@H]1C ZINC000193575271 167244139 /nfs/dbraw/zinc/24/41/39/167244139.db2.gz XVTPKKOPJHTGBK-ZJUUUORDSA-N 0 3 214.309 0.526 20 0 BCADHN CC(C)OCC[C@@H](O)CN1CC[C@H](O)C1 ZINC000330986113 167251252 /nfs/dbraw/zinc/25/12/52/167251252.db2.gz ISEMCZYBWUFLJE-WDEREUQCSA-N 0 3 217.309 0.229 20 0 BCADHN CC(C)OC[C@@H](C)N[C@@H](C)C(=O)NCCF ZINC000309350646 167256760 /nfs/dbraw/zinc/25/67/60/167256760.db2.gz MQIGGZIOZWEJOR-ZJUUUORDSA-N 0 3 234.315 0.864 20 0 BCADHN CC(C)OC[C@@H](O)CN(C)C[C@@H]1CCCO1 ZINC000070190670 167259053 /nfs/dbraw/zinc/25/90/53/167259053.db2.gz UDNGXJSUUPRSRA-RYUDHWBXSA-N 0 3 231.336 0.883 20 0 BCADHN CC(C)OC[C@@H](O)CN(C)CCn1cccn1 ZINC000111695456 167259453 /nfs/dbraw/zinc/25/94/53/167259453.db2.gz RHWHYNGBQBTUDQ-LBPRGKRZSA-N 0 3 241.335 0.601 20 0 BCADHN CC(C)OC[C@H](O)CN1CC2(C1)CCCOC2 ZINC000367491386 167267529 /nfs/dbraw/zinc/26/75/29/167267529.db2.gz TWUKXGFMCPWKBN-GFCCVEGCSA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)OC[C@H](O)CN[C@@](C)(C(N)=O)C(C)C ZINC000310093321 167269152 /nfs/dbraw/zinc/26/91/52/167269152.db2.gz GIEFACQBQSTRSY-ZYHUDNBSSA-N 0 3 246.351 0.262 20 0 BCADHN CC(C)OC[C@H](O)CN1CCOCC2(CC2)C1 ZINC000360088482 167270361 /nfs/dbraw/zinc/27/03/61/167270361.db2.gz LNKNBLOERYEWHG-GFCCVEGCSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000655495746 410918706 /nfs/dbraw/zinc/91/87/06/410918706.db2.gz URGZYFFIBIKNNK-MWLCHTKSSA-N 0 3 226.320 0.894 20 0 BCADHN CC(C)Oc1ccc(CNC(CO)CO)cc1 ZINC000087751653 167294786 /nfs/dbraw/zinc/29/47/86/167294786.db2.gz IXRKSBZAUSGLKY-UHFFFAOYSA-N 0 3 239.315 0.917 20 0 BCADHN CN(C[C@H](O)CNCc1cocn1)C1CC1 ZINC000397831492 410936457 /nfs/dbraw/zinc/93/64/57/410936457.db2.gz NBUAZVRASSYSGD-LLVKDONJSA-N 0 3 225.292 0.219 20 0 BCADHN CC(C)[C@@H](C(=O)NCCC(=O)N(C)C)N(C)C ZINC000130670454 167341342 /nfs/dbraw/zinc/34/13/42/167341342.db2.gz LZSNBMXGRPTJRK-NSHDSACASA-N 0 3 243.351 0.167 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@@](C)(O)C1CC1)N(C)C ZINC000331799276 167341916 /nfs/dbraw/zinc/34/19/16/167341916.db2.gz WWRKTCCKMGXPKB-WCQYABFASA-N 0 3 242.363 0.850 20 0 BCADHN CC(C)[C@@H](C(=O)NCC1(CO)CCC1)N(C)C ZINC000332050717 167342026 /nfs/dbraw/zinc/34/20/26/167342026.db2.gz NHHYDBMOXPGKFT-NSHDSACASA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@H]1CCOC1)N(C)C ZINC000106433859 167342536 /nfs/dbraw/zinc/34/25/36/167342536.db2.gz JYGBNFBQWRQIQK-MNOVXSKESA-N 0 3 228.336 0.725 20 0 BCADHN CC(C)[C@@H](C(=O)NCc1ccn(C)n1)N(C)C ZINC000330574695 167343921 /nfs/dbraw/zinc/34/39/21/167343921.db2.gz NWMLQTMWMIJBBK-NSHDSACASA-N 0 3 238.335 0.623 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H](C)CCCO)N(C)C ZINC000121979607 167344289 /nfs/dbraw/zinc/34/42/89/167344289.db2.gz MJCXSNOWARKDMW-MNOVXSKESA-N 0 3 230.352 0.850 20 0 BCADHN CC(C)[C@@H](C)C(=O)NCC1(O)CCN(C)CC1 ZINC000354706020 167350679 /nfs/dbraw/zinc/35/06/79/167350679.db2.gz HHISIAGYTGOJLH-LLVKDONJSA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)[C@@H](CCO)NCC(=O)NCC1CCC1 ZINC000358817456 167391029 /nfs/dbraw/zinc/39/10/29/167391029.db2.gz ZJSHPGWAJLBEFP-GFCCVEGCSA-N 0 3 242.363 0.899 20 0 BCADHN CC(C)[C@@H](CCO)NCc1ccn(C)n1 ZINC000164863207 167393140 /nfs/dbraw/zinc/39/31/40/167393140.db2.gz HRFNWSSFVLBFAT-LLVKDONJSA-N 0 3 211.309 0.917 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@](C)(O)C(C)C ZINC000309009590 167415978 /nfs/dbraw/zinc/41/59/78/167415978.db2.gz WFYOMCWMBRSBRN-MWLCHTKSSA-N 0 3 216.325 0.493 20 0 BCADHN COC[C@H](C)CNC(=O)[C@H](N)CC(C)C ZINC000041679450 410934086 /nfs/dbraw/zinc/93/40/86/410934086.db2.gz WSFXMRMCZOPTMC-NXEZZACHSA-N 0 3 216.325 0.759 20 0 BCADHN C[C@](N)(C(=O)NCc1cn[nH]n1)c1ccccc1 ZINC000398290167 410955099 /nfs/dbraw/zinc/95/50/99/410955099.db2.gz LDIMVSMHIDIDOE-GFCCVEGCSA-N 0 3 245.286 0.295 20 0 BCADHN C[C@](N)(C(=O)NCc1c[nH]nn1)c1ccccc1 ZINC000398290167 410955107 /nfs/dbraw/zinc/95/51/07/410955107.db2.gz LDIMVSMHIDIDOE-GFCCVEGCSA-N 0 3 245.286 0.295 20 0 BCADHN CNC(=O)C(C)(C)CNC(=O)[C@@H](N)C1CCC1 ZINC000399090527 411015377 /nfs/dbraw/zinc/01/53/77/411015377.db2.gz TVCPDDKZHCOGJZ-VIFPVBQESA-N 0 3 241.335 0.002 20 0 BCADHN Cc1ccc([C@H](N)C(=O)NCc2c[nH]nn2)cc1 ZINC000398277314 410955953 /nfs/dbraw/zinc/95/59/53/410955953.db2.gz DOHFNLIYNFSUCM-NSHDSACASA-N 0 3 245.286 0.429 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000576716903 410964947 /nfs/dbraw/zinc/96/49/47/410964947.db2.gz YJIRQDYSOLOQTB-BYPYZUCNSA-N 0 3 236.197 0.975 20 0 BCADHN Cn1nccc1CN[C@H](CO)CCF ZINC000652015922 410973055 /nfs/dbraw/zinc/97/30/55/410973055.db2.gz OUDJVRAJPSGTKT-QMMMGPOBSA-N 0 3 201.245 0.230 20 0 BCADHN CC(C)[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000135287880 167472248 /nfs/dbraw/zinc/47/22/48/167472248.db2.gz HVCIMKPMUBGLEW-VXGBXAGGSA-N 0 3 240.347 0.869 20 0 BCADHN CCn1cc(CN[C@H](CO)CCF)cn1 ZINC000652017297 410982921 /nfs/dbraw/zinc/98/29/21/410982921.db2.gz SCVUFQFVZUJYCS-JTQLQIEISA-N 0 3 215.272 0.713 20 0 BCADHN Cc1ccc([O-])c(C[NH2+][C@@H](CO)CCF)n1 ZINC000652017336 410983336 /nfs/dbraw/zinc/98/33/36/410983336.db2.gz UFLKTRJUZSKGGH-SECBINFHSA-N 0 3 228.267 0.906 20 0 BCADHN Cn1cncc1CN[C@H](CO)CCF ZINC000652017276 410983435 /nfs/dbraw/zinc/98/34/35/410983435.db2.gz RUAXRHIIWYZOCI-QMMMGPOBSA-N 0 3 201.245 0.230 20 0 BCADHN OC[C@@H](CCF)NCc1cncs1 ZINC000652018653 410991743 /nfs/dbraw/zinc/99/17/43/410991743.db2.gz YZZARFRCYSWJIV-SSDOTTSWSA-N 0 3 204.270 0.953 20 0 BCADHN CCO[C@@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000042424933 411002520 /nfs/dbraw/zinc/00/25/20/411002520.db2.gz VFCLPURXADCIPW-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H](CO)CCF ZINC000652019610 411003429 /nfs/dbraw/zinc/00/34/29/411003429.db2.gz WBGIWUYPNDXUTQ-RKDXNWHRSA-N 0 3 241.328 0.120 20 0 BCADHN CCO[C@H]1CCCN(C(=O)[C@@H](C)N)C1 ZINC000042424826 411003757 /nfs/dbraw/zinc/00/37/57/411003757.db2.gz WHMITOSYTDAFKC-BDAKNGLRSA-N 0 3 200.282 0.361 20 0 BCADHN CN1CCC[C@H](NC(=O)[C@H](N)C2CCC2)C1 ZINC000398989302 411007361 /nfs/dbraw/zinc/00/73/61/411007361.db2.gz JHAQOOQHIFGQFE-WDEREUQCSA-N 0 3 225.336 0.324 20 0 BCADHN N[C@H](C(=O)NCc1c[nH]cn1)C1CCC1 ZINC000399021439 411008151 /nfs/dbraw/zinc/00/81/51/411008151.db2.gz IDPNGITVCOZRKS-VIFPVBQESA-N 0 3 208.265 0.153 20 0 BCADHN Cn1cc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cn1 ZINC000661600765 411009940 /nfs/dbraw/zinc/00/99/40/411009940.db2.gz ODQDBDPJDAFWOJ-RYUDHWBXSA-N 0 3 248.330 0.521 20 0 BCADHN CCN(CC(=O)N(C)C)C(=O)[C@H](N)C1CCC1 ZINC000399072926 411012308 /nfs/dbraw/zinc/01/23/08/411012308.db2.gz MMABMQXAQNXSNJ-LLVKDONJSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCOC2)CN1C1CC1 ZINC000177114880 487620217 /nfs/dbraw/zinc/62/02/17/487620217.db2.gz SLTCNIIXQBEJMU-GMTAPVOTSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@@H](C)C1O ZINC000661625222 411085182 /nfs/dbraw/zinc/08/51/82/411085182.db2.gz LKYPSDBRWYVSJN-GHMZBOCLSA-N 0 3 240.347 0.558 20 0 BCADHN CO[C@@H](CN1CCC(O)(CO)CC1)C1CCC1 ZINC000661620101 411067141 /nfs/dbraw/zinc/06/71/41/411067141.db2.gz GMLNFMHLZXRKRP-LBPRGKRZSA-N 0 3 243.347 0.621 20 0 BCADHN COC[C@](C)(O)CNCc1cnc(OC)s1 ZINC000394607243 411067604 /nfs/dbraw/zinc/06/76/04/411067604.db2.gz ROODRUGFPFWUNK-SNVBAGLBSA-N 0 3 246.332 0.639 20 0 BCADHN C[C@H]1CN(CCn2cncn2)C[C@H](C)C1O ZINC000661620242 411071309 /nfs/dbraw/zinc/07/13/09/411071309.db2.gz ICCHLQYAXDGKIA-UWVGGRQHSA-N 0 3 224.308 0.227 20 0 BCADHN CC[C@@H]1CN(Cc2ccc(N)nc2)C[C@H]1O ZINC000399912022 411072101 /nfs/dbraw/zinc/07/21/01/411072101.db2.gz ITTXALADSMXIDQ-GHMZBOCLSA-N 0 3 221.304 0.697 20 0 BCADHN CC(=O)[C@](C)(O)CN1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661623287 411079265 /nfs/dbraw/zinc/07/92/65/411079265.db2.gz YPFLOLIGGUFEJP-LLHIFLOGSA-N 0 3 229.320 0.275 20 0 BCADHN CC(=O)[C@](C)(O)CN1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661623286 411079301 /nfs/dbraw/zinc/07/93/01/411079301.db2.gz YPFLOLIGGUFEJP-KBVBSXBZSA-N 0 3 229.320 0.275 20 0 BCADHN COc1ccc([O-])c(C(=O)N(C)CCC[NH3+])c1 ZINC000043327678 411083030 /nfs/dbraw/zinc/08/30/30/411083030.db2.gz PZSYAYVTKNEMDT-UHFFFAOYSA-N 0 3 238.287 0.822 20 0 BCADHN CCc1nn(C)cc1CN[C@H](CO)CCF ZINC000652020479 411025437 /nfs/dbraw/zinc/02/54/37/411025437.db2.gz ZEPACNJOUJJZDA-JTQLQIEISA-N 0 3 229.299 0.793 20 0 BCADHN C[C@H](Cc1ccccn1)NC(=O)C1(N)CC1 ZINC000655499587 411032357 /nfs/dbraw/zinc/03/23/57/411032357.db2.gz NHCYRGKIINQYHE-SECBINFHSA-N 0 3 219.288 0.620 20 0 BCADHN O[C@@H]1COC[C@H]1N[C@H]1CCN(c2ccccc2)C1 ZINC000651457763 411039628 /nfs/dbraw/zinc/03/96/28/411039628.db2.gz QGFNPGJBEUGAEO-IACUBPJLSA-N 0 3 248.326 0.615 20 0 BCADHN O=C1[C@@H](NC2CSC2)C[C@H]2CCCCN12 ZINC000651608530 411129734 /nfs/dbraw/zinc/12/97/34/411129734.db2.gz HPOLHQHKJAJCKG-ZJUUUORDSA-N 0 3 226.345 0.845 20 0 BCADHN Cn1ccc(CN[C@@H]2CCOC[C@H]2O)c1 ZINC000623767093 411163125 /nfs/dbraw/zinc/16/31/25/411163125.db2.gz PWJWWTBJGYADTJ-GHMZBOCLSA-N 0 3 210.277 0.265 20 0 BCADHN CCO[C@@H](CC)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655509624 411139469 /nfs/dbraw/zinc/13/94/69/411139469.db2.gz HSPGUWKQHLMEIE-BQBZGAKWSA-N 0 3 242.241 0.807 20 0 BCADHN CC1(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)CC1 ZINC000647706978 411140003 /nfs/dbraw/zinc/14/00/03/411140003.db2.gz UMPJSDVSQOEQDH-MNOVXSKESA-N 0 3 238.331 0.454 20 0 BCADHN OC[C@H](O)CNCc1cc2cnccc2o1 ZINC000651780618 411143260 /nfs/dbraw/zinc/14/32/60/411143260.db2.gz NTTXASMKNOVVFY-SECBINFHSA-N 0 3 222.244 0.271 20 0 BCADHN COC[C@H](CC(C)(C)C)N[C@H](C)C(N)=O ZINC000651787216 411143875 /nfs/dbraw/zinc/14/38/75/411143875.db2.gz ICBTYPBXXIEVFY-BDAKNGLRSA-N 0 3 216.325 0.901 20 0 BCADHN OC[C@H]1CN(Cc2cccc3c2CCC3)C[C@@H]1O ZINC000651829222 411146772 /nfs/dbraw/zinc/14/67/72/411146772.db2.gz UXJZGKOEKBYQBI-HIFRSBDPSA-N 0 3 247.338 0.960 20 0 BCADHN Cc1ocnc1C(=O)N[C@H](CN)C(F)(F)F ZINC000655510656 411147465 /nfs/dbraw/zinc/14/74/65/411147465.db2.gz QLXQOHKFSNYMTD-RXMQYKEDSA-N 0 3 237.181 0.602 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCN(CCN(C)C)C(=O)C1 ZINC000651891115 411149141 /nfs/dbraw/zinc/14/91/41/411149141.db2.gz IDBISTPIVBFLIZ-NEPJUHHUSA-N 0 3 239.363 0.348 20 0 BCADHN C[C@H](Cn1cncn1)NCCc1cscn1 ZINC000657911441 411164879 /nfs/dbraw/zinc/16/48/79/411164879.db2.gz ZMRPKBUICUVEKO-SECBINFHSA-N 0 3 237.332 0.955 20 0 BCADHN CCN(CC(=O)NC(C)C)C[C@H]1CCOC1 ZINC000047705953 411164014 /nfs/dbraw/zinc/16/40/14/411164014.db2.gz HCPWYWXIWPKGHA-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCOC1 ZINC000131392574 411151718 /nfs/dbraw/zinc/15/17/18/411151718.db2.gz SCRNVJWUVRFOHI-RYUDHWBXSA-N 0 3 234.299 0.462 20 0 BCADHN C[C@H]1C[C@H](C)N1CCN1C(=O)CN(C)C1=O ZINC000660446279 411151891 /nfs/dbraw/zinc/15/18/91/411151891.db2.gz MLKQIMRZKROKDW-IUCAKERBSA-N 0 3 225.292 0.363 20 0 BCADHN C[C@@H](CO)CN1CCC(N2CN=NC2=O)CC1 ZINC000653652283 411156572 /nfs/dbraw/zinc/15/65/72/411156572.db2.gz WTWFXDWAIIBLPU-SECBINFHSA-N 0 3 240.307 0.249 20 0 BCADHN O=C(CNC1CC1)Nc1c[nH]ccc1=O ZINC000309514120 411157717 /nfs/dbraw/zinc/15/77/17/411157717.db2.gz QTFOTRKNEZIBMO-UHFFFAOYSA-N 0 3 207.233 0.478 20 0 BCADHN CCc1nocc1CNCC[C@]1(O)CCOC1 ZINC000651944784 411158357 /nfs/dbraw/zinc/15/83/57/411158357.db2.gz FGQPYVMXFYOQNJ-LBPRGKRZSA-N 0 3 240.303 0.868 20 0 BCADHN NC[C@@H](NC(=O)N[C@H]1CC12CC2)C(F)(F)F ZINC000655931178 411158832 /nfs/dbraw/zinc/15/88/32/411158832.db2.gz HFWYRBPSXFMLSP-NTSWFWBYSA-N 0 3 237.225 0.728 20 0 BCADHN C[C@H](CF)NC(=O)N[C@H](CN)C(F)(F)F ZINC000655930306 411158879 /nfs/dbraw/zinc/15/88/79/411158879.db2.gz MSRXNWPQVUYUGF-RFZPGFLSSA-N 0 3 231.193 0.533 20 0 BCADHN C[C@@H]1CC[C@H]1NC(=O)N[C@@H](CN)C(F)(F)F ZINC000655930505 411159010 /nfs/dbraw/zinc/15/90/10/411159010.db2.gz QMLKNKNODCSECD-QYNIQEEDSA-N 0 3 239.241 0.974 20 0 BCADHN NC[C@H](NC(=O)N[C@@H]1CC12CC2)C(F)(F)F ZINC000655931182 411159167 /nfs/dbraw/zinc/15/91/67/411159167.db2.gz HFWYRBPSXFMLSP-RITPCOANSA-N 0 3 237.225 0.728 20 0 BCADHN NC[C@H](NC(=O)N1CC[C@H](F)C1)C(F)(F)F ZINC000655926428 411159222 /nfs/dbraw/zinc/15/92/22/411159222.db2.gz JRMBRLFGCMIREB-WDSKDSINSA-N 0 3 243.204 0.629 20 0 BCADHN CCC1CN(C(=O)N[C@H](CN)C(F)(F)F)C1 ZINC000655931930 411159706 /nfs/dbraw/zinc/15/97/06/411159706.db2.gz QVLAVILFZRJGCX-SSDOTTSWSA-N 0 3 239.241 0.927 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1Cc1cccc(O)c1 ZINC000651950691 411160963 /nfs/dbraw/zinc/16/09/63/411160963.db2.gz MKFZRHMZOKRNPN-DGCLKSJQSA-N 0 3 237.299 0.974 20 0 BCADHN Cc1n[nH]cc1CNCC[C@]1(O)CCCOC1 ZINC000652039490 411090168 /nfs/dbraw/zinc/09/01/68/411090168.db2.gz HFDBEWUDYQQIEB-GFCCVEGCSA-N 0 3 239.319 0.739 20 0 BCADHN C[C@@H](CCO)N(C)Cc1cnc2cnccn12 ZINC000652048701 411101126 /nfs/dbraw/zinc/10/11/26/411101126.db2.gz SDQIGMIUVCHPLI-JTQLQIEISA-N 0 3 234.303 0.932 20 0 BCADHN O=C1NCC[C@H]1N1CCC[C@](O)(C2CC2)C1 ZINC000661627537 411101186 /nfs/dbraw/zinc/10/11/86/411101186.db2.gz JBIKAQATXCGLGV-ZYHUDNBSSA-N 0 3 224.304 0.112 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661630083 411106545 /nfs/dbraw/zinc/10/65/45/411106545.db2.gz KAALUFPCMNLWQQ-XHNCKOQMSA-N 0 3 214.309 0.199 20 0 BCADHN O[C@@]1(C2CC2)CCCN(CCn2cncn2)C1 ZINC000661633982 411112165 /nfs/dbraw/zinc/11/21/65/411112165.db2.gz XZLUBZAXCHYYAX-LBPRGKRZSA-N 0 3 236.319 0.515 20 0 BCADHN C[C@@H](CO)N1CCCN(C(=O)C2CCC2)CC1 ZINC000364921574 411123269 /nfs/dbraw/zinc/12/32/69/411123269.db2.gz KEXRLOHJUMBGBC-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN CCc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)[nH]n1 ZINC000644813239 411123299 /nfs/dbraw/zinc/12/32/99/411123299.db2.gz AAMLVRDQLATCKM-CABZTGNLSA-N 0 3 248.330 0.748 20 0 BCADHN CCc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)n[nH]1 ZINC000644813239 411123301 /nfs/dbraw/zinc/12/33/01/411123301.db2.gz AAMLVRDQLATCKM-CABZTGNLSA-N 0 3 248.330 0.748 20 0 BCADHN CCN[C@H](C)C(=O)Nc1cc(C)n(C)n1 ZINC000638354524 411125953 /nfs/dbraw/zinc/12/59/53/411125953.db2.gz OWKOYOCKCZCCFC-MRVPVSSYSA-N 0 3 210.281 0.665 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(N)nc1 ZINC000061656022 411176235 /nfs/dbraw/zinc/17/62/35/411176235.db2.gz OHBXYXRPHYEKGC-NSHDSACASA-N 0 3 248.330 0.830 20 0 BCADHN CO[C@@H](CN(C)CC(C)(CO)CO)C1CCC1 ZINC000660018362 411177394 /nfs/dbraw/zinc/17/73/94/411177394.db2.gz KMCDRDHXTPXQKX-LBPRGKRZSA-N 0 3 245.363 0.724 20 0 BCADHN CC[C@@H](NC(=O)CCOC1CNC1)C(F)F ZINC000639076773 411178271 /nfs/dbraw/zinc/17/82/71/411178271.db2.gz HXLIKEGKKRYSPU-MRVPVSSYSA-N 0 3 236.262 0.525 20 0 BCADHN C[C@@H](O)CNC(=O)[C@H](C)N1CCCCCC1 ZINC000129309611 411243160 /nfs/dbraw/zinc/24/31/60/411243160.db2.gz CZMCMBCOKPNWAX-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN C[C@H](CNc1cc(=O)n(C)cn1)N(C)C ZINC000656111895 411181752 /nfs/dbraw/zinc/18/17/52/411181752.db2.gz ALJFIPRBRXOIPT-MRVPVSSYSA-N 0 3 210.281 0.142 20 0 BCADHN COC[C@H](CN[C@H]1CCCn2nccc21)OC ZINC000657968688 411182255 /nfs/dbraw/zinc/18/22/55/411182255.db2.gz CXLDEGOEFQXUSM-QWRGUYRKSA-N 0 3 239.319 0.969 20 0 BCADHN Cc1nnc(NC(=O)N[C@H](C)CN(C)C)s1 ZINC000348083310 411182698 /nfs/dbraw/zinc/18/26/98/411182698.db2.gz UUECESFCSLBACK-ZCFIWIBFSA-N 0 3 243.336 0.918 20 0 BCADHN OCCOCCCN[C@H]1CCCn2nccc21 ZINC000657971333 411183441 /nfs/dbraw/zinc/18/34/41/411183441.db2.gz JVIKKFWWMMYJQK-NSHDSACASA-N 0 3 239.319 0.707 20 0 BCADHN CNC(=O)CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000659248214 411186383 /nfs/dbraw/zinc/18/63/83/411186383.db2.gz VMUVHIDBICXFEI-NSHDSACASA-N 0 3 247.298 0.083 20 0 BCADHN CCC(C)(C)N1CCN(CC(=O)N(C)C)CC1 ZINC000653807948 411188976 /nfs/dbraw/zinc/18/89/76/411188976.db2.gz KRZDTPNFRVKTOI-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CCC(C)(C)N1CCN(C[C@H](O)COC)CC1 ZINC000653808927 411188987 /nfs/dbraw/zinc/18/89/87/411188987.db2.gz GOOMUMBMTXGOBI-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN CCNC(=O)CN1CCN(C(C)(C)CC)CC1 ZINC000653807935 411189120 /nfs/dbraw/zinc/18/91/20/411189120.db2.gz KBJZTNYTBUEJLM-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN COCC1(CNC[C@@H](O)C(F)(F)F)CC1 ZINC000656155178 411189608 /nfs/dbraw/zinc/18/96/08/411189608.db2.gz LFVBBBFRZUFQTM-SSDOTTSWSA-N 0 3 227.226 0.926 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)COC(F)F)C1 ZINC000644818514 411191023 /nfs/dbraw/zinc/19/10/23/411191023.db2.gz NZICSDSMSWNDHL-YUMQZZPRSA-N 0 3 234.246 0.388 20 0 BCADHN CCN1C[C@H](CN[C@H]2CCn3ccnc32)CC1=O ZINC000652300836 411192501 /nfs/dbraw/zinc/19/25/01/411192501.db2.gz MKZQOOAPUNSTJM-QWRGUYRKSA-N 0 3 248.330 0.786 20 0 BCADHN C[C@H](N[C@H](CO)CCF)c1ccnn1C ZINC000652301833 411193613 /nfs/dbraw/zinc/19/36/13/411193613.db2.gz IOKIMZPBIWYLFP-IUCAKERBSA-N 0 3 215.272 0.791 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@@H]1CCC(=O)N1 ZINC000070627924 411193653 /nfs/dbraw/zinc/19/36/53/411193653.db2.gz RDQWFSGCLUSFQN-VIFPVBQESA-N 0 3 222.292 0.395 20 0 BCADHN O=C(CN[C@H]1COC2(CCC2)C1)NCC(F)F ZINC000658003134 411195053 /nfs/dbraw/zinc/19/50/53/411195053.db2.gz WTPKDCWLOZKXCA-MRVPVSSYSA-N 0 3 248.273 0.669 20 0 BCADHN CCN1CCN(C[C@@H](COC)OC)C[C@H]1C ZINC000660126135 411244739 /nfs/dbraw/zinc/24/47/39/411244739.db2.gz OKGMHWNMJRCVDT-NEPJUHHUSA-N 0 3 230.352 0.674 20 0 BCADHN NC(=O)[C@]1(NCCC[C@@H]2CCOC2)CCOC1 ZINC000653847402 411198700 /nfs/dbraw/zinc/19/87/00/411198700.db2.gz VNFYQDFCMURBJZ-PWSUYJOCSA-N 0 3 242.319 0.037 20 0 BCADHN C[C@H](NCC[C@]1(O)CCCOC1)c1cn[nH]c1 ZINC000652326812 411201255 /nfs/dbraw/zinc/20/12/55/411201255.db2.gz NNGFELCYQZRSRQ-CMPLNLGQSA-N 0 3 239.319 0.992 20 0 BCADHN O=C1NCCC[C@H]1CN[C@@H]1CCCn2nccc21 ZINC000658034720 411209489 /nfs/dbraw/zinc/20/94/89/411209489.db2.gz NLFQCXJQUMALGK-WDEREUQCSA-N 0 3 248.330 0.834 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1COC2(CCC2)C1 ZINC000658034416 411209571 /nfs/dbraw/zinc/20/95/71/411209571.db2.gz LOAHZSQRGSQIAE-GARJFASQSA-N 0 3 227.304 0.701 20 0 BCADHN CCC(C)(C)N1CCN(c2nnnn2C)CC1 ZINC000656216143 411212157 /nfs/dbraw/zinc/21/21/57/411212157.db2.gz FAWOJKOFIPLOJD-UHFFFAOYSA-N 0 3 238.339 0.521 20 0 BCADHN C[C@@H](N[C@@H]1CC[C@@H](C)SC1)C(N)=O ZINC000656257637 411218265 /nfs/dbraw/zinc/21/82/65/411218265.db2.gz JUFFRWHZFGDRIA-BWZBUEFSSA-N 0 3 202.323 0.734 20 0 BCADHN C[C@@H](N[C@@H]1CC[C@H](C)SC1)C(N)=O ZINC000656257640 411218421 /nfs/dbraw/zinc/21/84/21/411218421.db2.gz JUFFRWHZFGDRIA-XLPZGREQSA-N 0 3 202.323 0.734 20 0 BCADHN C[C@@H](O)CN(C[C@H]1COCCO1)C1CC1 ZINC000653903172 411219471 /nfs/dbraw/zinc/21/94/71/411219471.db2.gz GFZLJSPLOCTLEL-KOLCDFICSA-N 0 3 215.293 0.247 20 0 BCADHN C[C@@H](N[C@H]1CCNC1=O)c1cccc(CO)c1 ZINC000658052462 411220121 /nfs/dbraw/zinc/22/01/21/411220121.db2.gz LCAOFBNPHXXWEO-SKDRFNHKSA-N 0 3 234.299 0.718 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H](C)Cn1ccnc1C ZINC000130368299 411220890 /nfs/dbraw/zinc/22/08/90/411220890.db2.gz HOGDPGBWRQLNOK-MWLCHTKSSA-N 0 3 238.335 0.681 20 0 BCADHN CO[C@@](C)(CO)CN[C@H](C)c1cn(C)nc1C ZINC000655784434 411223225 /nfs/dbraw/zinc/22/32/25/411223225.db2.gz CMXREUGCNUDLIY-BXKDBHETSA-N 0 3 241.335 0.777 20 0 BCADHN C[C@@H]1CCC[C@@H]1NC(=O)CN1CCNCC1 ZINC000070834410 411227304 /nfs/dbraw/zinc/22/73/04/411227304.db2.gz NHODRZLHIUTQFY-MNOVXSKESA-N 0 3 225.336 0.196 20 0 BCADHN O[C@@H](CNC1COCCOC1)CC1CCCC1 ZINC000310381362 411234712 /nfs/dbraw/zinc/23/47/12/411234712.db2.gz AZPFRACQIIFXOG-CYBMUJFWSA-N 0 3 243.347 0.933 20 0 BCADHN CNS(=O)(=O)[C@H]1CCN(CCC2CCC2)C1 ZINC000660118111 411237213 /nfs/dbraw/zinc/23/72/13/411237213.db2.gz PDHMHLCEMDZXBC-NSHDSACASA-N 0 3 246.376 0.800 20 0 BCADHN C[C@H](N[C@@H](CO)C1CCC1)c1ccc(=O)[nH]n1 ZINC000658087660 411238349 /nfs/dbraw/zinc/23/83/49/411238349.db2.gz LUKLRABNTXPNML-KWQFWETISA-N 0 3 237.303 0.994 20 0 BCADHN COCC1(CN2CCN(CCO)CC2)CCC1 ZINC000310553303 411242047 /nfs/dbraw/zinc/24/20/47/411242047.db2.gz XFJCQKFXBGZAQF-UHFFFAOYSA-N 0 3 242.363 0.413 20 0 BCADHN C[C@H](Cn1cncn1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000657922095 411166980 /nfs/dbraw/zinc/16/69/80/411166980.db2.gz FWDLPGOLNURBMV-ZJUUUORDSA-N 0 3 249.318 0.020 20 0 BCADHN CN1CCC[C@H](N[C@@H]2COC3(CCC3)C2)C1=O ZINC000656683570 411327032 /nfs/dbraw/zinc/32/70/32/411327032.db2.gz IZDRQAVVXSFFMT-QWRGUYRKSA-N 0 3 238.331 0.908 20 0 BCADHN OC/C=C\CN[C@@H]1CCCn2nccc21 ZINC000658138701 411263578 /nfs/dbraw/zinc/26/35/78/411263578.db2.gz OLUAKJLZPMSXAB-JWXWKVPASA-N 0 3 207.277 0.856 20 0 BCADHN OC/C=C/CN[C@H]1CCCn2nccc21 ZINC000658138705 411263683 /nfs/dbraw/zinc/26/36/83/411263683.db2.gz OLUAKJLZPMSXAB-YOLVWIGZSA-N 0 3 207.277 0.856 20 0 BCADHN COC[C@@H](O)Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000656455478 411264217 /nfs/dbraw/zinc/26/42/17/411264217.db2.gz ITPRYAKRCNNPDS-WPRPVWTQSA-N 0 3 242.323 0.331 20 0 BCADHN CCNCc1ccn(Cc2cn(C3CC3)nn2)n1 ZINC000656455608 411264723 /nfs/dbraw/zinc/26/47/23/411264723.db2.gz ICJWLOPLIAYEKJ-UHFFFAOYSA-N 0 3 246.318 0.967 20 0 BCADHN CNCC(=O)N[C@H]1CCCc2c1ccc(=O)n2C ZINC000653453725 411265407 /nfs/dbraw/zinc/26/54/07/411265407.db2.gz NCKZJPOHOSMNMB-JTQLQIEISA-N 0 3 249.314 0.098 20 0 BCADHN Nc1ccc(CN(CCO)C2CC2)cn1 ZINC000050817988 411266083 /nfs/dbraw/zinc/26/60/83/411266083.db2.gz PPHSVJKAOZESJT-UHFFFAOYSA-N 0 3 207.277 0.621 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)C1(CO)CC1 ZINC000658151862 411266353 /nfs/dbraw/zinc/26/63/53/411266353.db2.gz BNRFXTBCNNBGCG-UWVGGRQHSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@@H](N[C@H]1CCCS(=O)(=O)C1)C1(CO)CC1 ZINC000658155341 411268698 /nfs/dbraw/zinc/26/86/98/411268698.db2.gz PHWJYVNZWBJELR-ZJUUUORDSA-N 0 3 247.360 0.314 20 0 BCADHN COC[C@@H](CN1CCN(C)CC1(C)C)OC ZINC000660158223 411270150 /nfs/dbraw/zinc/27/01/50/411270150.db2.gz MTLIIFGGXBIQBU-LLVKDONJSA-N 0 3 230.352 0.674 20 0 BCADHN CC[C@@H](N)C(=O)N1CCN(CC(F)F)CC1 ZINC000130412036 411270604 /nfs/dbraw/zinc/27/06/04/411270604.db2.gz GZXHTMZOAMIPFD-MRVPVSSYSA-N 0 3 235.278 0.133 20 0 BCADHN O=C1NCC[C@@H]1CCN1CC[C@@H](F)C1 ZINC000653731701 411272772 /nfs/dbraw/zinc/27/27/72/411272772.db2.gz HYCAZBZSPXPQRA-RKDXNWHRSA-N 0 3 200.257 0.556 20 0 BCADHN CCO[C@H]1C[C@H](N[C@H](C)CS(=O)(=O)CC)C1 ZINC000658165040 411277115 /nfs/dbraw/zinc/27/71/15/411277115.db2.gz ZIIFNXRKRDMSMR-GMTAPVOTSA-N 0 3 249.376 0.967 20 0 BCADHN CC[C@](C)(N)c1cn(-c2cc(C)nn2C)nn1 ZINC000656465710 411278067 /nfs/dbraw/zinc/27/80/67/411278067.db2.gz HLDJAZUPRZPUDV-NSHDSACASA-N 0 3 234.307 0.893 20 0 BCADHN CCNC(=O)C1CN(C[C@H](C)COC)C1 ZINC000656685319 411328251 /nfs/dbraw/zinc/32/82/51/411328251.db2.gz HUKNKEDAIYJLOH-VIFPVBQESA-N 0 3 214.309 0.337 20 0 BCADHN CN1CCC[C@H](NC(=O)[C@@H](N)c2ccccc2)C1 ZINC000129387593 411280516 /nfs/dbraw/zinc/28/05/16/411280516.db2.gz OPXHNOPBKYTYEH-STQMWFEESA-N 0 3 247.342 0.897 20 0 BCADHN CCCCN(C)CCN=c1nc[nH]n1C ZINC000653464416 411281668 /nfs/dbraw/zinc/28/16/68/411281668.db2.gz XUOODOTULCVXMQ-UHFFFAOYSA-N 0 3 211.313 0.381 20 0 BCADHN CCN1CC[C@@H](N[C@@H](C)[C@H](C)OC)C1=O ZINC000656488276 411283751 /nfs/dbraw/zinc/28/37/51/411283751.db2.gz NPAYZVRIOFLRIT-LPEHRKFASA-N 0 3 214.309 0.620 20 0 BCADHN CN1C(=O)C[C@@H](N2CCC[C@@H](CCF)C2)C1=O ZINC000656477976 411283808 /nfs/dbraw/zinc/28/38/08/411283808.db2.gz PIBNXUGKVONXHG-VHSXEESVSA-N 0 3 242.294 0.815 20 0 BCADHN Cn1[nH]cnc1=NC[C@H]1CCCCN1C1CC1 ZINC000653470125 411291823 /nfs/dbraw/zinc/29/18/23/411291823.db2.gz VQPATKTZSCELGY-LLVKDONJSA-N 0 3 235.335 0.666 20 0 BCADHN CCN1C[C@H](C)N(c2ncnn2C)C[C@@H]1C ZINC000653471039 411292340 /nfs/dbraw/zinc/29/23/40/411292340.db2.gz XHKMTSHFFQAMHY-UWVGGRQHSA-N 0 3 223.324 0.734 20 0 BCADHN C[C@@H](CNC(=O)c1cnn[n-]1)C[NH+]1CCCC1 ZINC000108631927 411292965 /nfs/dbraw/zinc/29/29/65/411292965.db2.gz PJPJWDWLNREAGG-VIFPVBQESA-N 0 3 237.307 0.266 20 0 BCADHN C[C@@H](CNC(=O)c1c[n-]nn1)C[NH+]1CCCC1 ZINC000108631927 411292968 /nfs/dbraw/zinc/29/29/68/411292968.db2.gz PJPJWDWLNREAGG-VIFPVBQESA-N 0 3 237.307 0.266 20 0 BCADHN C[C@@H](CNC(=O)c1cn[n-]n1)C[NH+]1CCCC1 ZINC000108631927 411292970 /nfs/dbraw/zinc/29/29/70/411292970.db2.gz PJPJWDWLNREAGG-VIFPVBQESA-N 0 3 237.307 0.266 20 0 BCADHN CCN(C(=O)N[C@@H](C)COC)[C@H]1CCN(C)C1 ZINC000656540084 411294114 /nfs/dbraw/zinc/29/41/14/411294114.db2.gz CTCBKICNCNMRTP-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCOC1 ZINC000644835656 411300711 /nfs/dbraw/zinc/30/07/11/411300711.db2.gz VXILYUGVSAEVTL-GARJFASQSA-N 0 3 226.320 0.764 20 0 BCADHN Cc1cc(CNC(=O)[C@H](N)C(C)C)[nH]n1 ZINC000309415362 411307132 /nfs/dbraw/zinc/30/71/32/411307132.db2.gz XGPOFUDXFBCCCK-SECBINFHSA-N 0 3 210.281 0.318 20 0 BCADHN Cc1cc(CNC(=O)[C@H](N)C(C)C)n[nH]1 ZINC000309415362 411307134 /nfs/dbraw/zinc/30/71/34/411307134.db2.gz XGPOFUDXFBCCCK-SECBINFHSA-N 0 3 210.281 0.318 20 0 BCADHN CCCCNC(=O)CN1CCC[C@@H]1[C@@H](C)O ZINC000661771619 411309849 /nfs/dbraw/zinc/30/98/49/411309849.db2.gz DLFQBLILMOQEFY-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN c1nc(-c2ccccc2)nn1C[C@@H]1CNCCO1 ZINC000656612199 411310284 /nfs/dbraw/zinc/31/02/84/411310284.db2.gz RTPQJOAGCBRLCS-LBPRGKRZSA-N 0 3 244.298 0.934 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1CC(=O)NC(C)(C)C ZINC000661773312 411310587 /nfs/dbraw/zinc/31/05/87/411310587.db2.gz GENOPYSQFKXXFF-NXEZZACHSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@H](O)[C@H]1CCCN1CC(=O)NC(C)(C)C ZINC000661773315 411310820 /nfs/dbraw/zinc/31/08/20/411310820.db2.gz GENOPYSQFKXXFF-VHSXEESVSA-N 0 3 228.336 0.746 20 0 BCADHN CCOC[C@@H](O)CN1CC(CCOC)C1 ZINC000656702364 411331828 /nfs/dbraw/zinc/33/18/28/411331828.db2.gz BLSKWTFNBHLBEQ-NSHDSACASA-N 0 3 217.309 0.352 20 0 BCADHN COC[C@H](CN(CC(N)=O)CC(C)C)OC ZINC000659837985 411316751 /nfs/dbraw/zinc/31/67/51/411316751.db2.gz LLDPAOOCJHZPGX-JTQLQIEISA-N 0 3 232.324 0.091 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000658257648 411317017 /nfs/dbraw/zinc/31/70/17/411317017.db2.gz ZCKKJAKTTCIHBL-BBBLOLIVSA-N 0 3 247.360 0.313 20 0 BCADHN CCN(C(=O)[C@@H](C)N)[C@@H]1CCCOC1 ZINC000402851251 411318594 /nfs/dbraw/zinc/31/85/94/411318594.db2.gz SREJKBCTRAOPGS-RKDXNWHRSA-N 0 3 200.282 0.361 20 0 BCADHN Cc1cncc(CCN2CC[C@H](CO)C2)n1 ZINC000402906423 411320858 /nfs/dbraw/zinc/32/08/58/411320858.db2.gz KIJMZRAQOAMWGT-NSHDSACASA-N 0 3 221.304 0.642 20 0 BCADHN Cc1cncc(CCN2C[C@@H](C)[C@H](O)C2)n1 ZINC000402900380 411320942 /nfs/dbraw/zinc/32/09/42/411320942.db2.gz KYNWNOUQPITZBA-BXKDBHETSA-N 0 3 221.304 0.640 20 0 BCADHN Cc1cncc(CCN2CCC[C@H]2CO)n1 ZINC000402900028 411321289 /nfs/dbraw/zinc/32/12/89/411321289.db2.gz GTIINMKGMDTKBI-LBPRGKRZSA-N 0 3 221.304 0.784 20 0 BCADHN C[C@@]12COC[C@H]1CN(CCn1ccccc1=O)C2 ZINC000661707212 411250830 /nfs/dbraw/zinc/25/08/30/411250830.db2.gz RASHUMGUQIAPFA-TZMCWYRMSA-N 0 3 248.326 0.817 20 0 BCADHN C[C@]12COC[C@@H]1CN(CCn1ccccc1=O)C2 ZINC000661707208 411250851 /nfs/dbraw/zinc/25/08/51/411250851.db2.gz RASHUMGUQIAPFA-JSGCOSHPSA-N 0 3 248.326 0.817 20 0 BCADHN Cc1cn2cc(NC(=O)[C@H]3CCN3)ccc2n1 ZINC000336596698 411253882 /nfs/dbraw/zinc/25/38/82/411253882.db2.gz HYBJKXAMONYRKN-SNVBAGLBSA-N 0 3 230.271 0.943 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NC/C=C/CO ZINC000658132833 411256563 /nfs/dbraw/zinc/25/65/63/411256563.db2.gz IZMAFPIDZBGBMH-MOVJSRMASA-N 0 3 209.293 0.928 20 0 BCADHN C[C@@H]1CCCN(C(=O)CN2CCNCC2)[C@H]1C ZINC000050565611 411259101 /nfs/dbraw/zinc/25/91/01/411259101.db2.gz HGYXTKQOOLIPLZ-NEPJUHHUSA-N 0 3 239.363 0.539 20 0 BCADHN Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2N)on1 ZINC000050463058 411259682 /nfs/dbraw/zinc/25/96/82/411259682.db2.gz QUGWVBPMQCYESE-UTLUCORTSA-N 0 3 235.287 0.994 20 0 BCADHN c1n[nH]cc1CN1CC[C@H]2COC[C@H]2C1 ZINC000662033764 411350404 /nfs/dbraw/zinc/35/04/04/411350404.db2.gz LCJSLFSMJLSVQW-WDEREUQCSA-N 0 3 207.277 0.878 20 0 BCADHN c1cc(CN2CC[C@@H]3COC[C@@H]3C2)n[nH]1 ZINC000662034579 411350508 /nfs/dbraw/zinc/35/05/08/411350508.db2.gz OFSBIUMVFNPLPL-ZJUUUORDSA-N 0 3 207.277 0.878 20 0 BCADHN Cn1cc(CN2CC[C@H]3COC[C@@H]3C2)cn1 ZINC000662040348 411352340 /nfs/dbraw/zinc/35/23/40/411352340.db2.gz XHWMUWIHCNCHMX-RYUDHWBXSA-N 0 3 221.304 0.888 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)N[C@H]1C[C@H](O)C1 ZINC000658350959 411352311 /nfs/dbraw/zinc/35/23/11/411352311.db2.gz SOKDBSDHKSAXAD-SZEHBUNVSA-N 0 3 209.293 0.902 20 0 BCADHN Cc1nc(CN2CC[C@@H]3COC[C@H]3C2)n[nH]1 ZINC000662038183 411352521 /nfs/dbraw/zinc/35/25/21/411352521.db2.gz VRBHTPHHMABMMC-NXEZZACHSA-N 0 3 222.292 0.581 20 0 BCADHN NC(=O)[C@@H]1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)CCO1 ZINC000659864263 411353888 /nfs/dbraw/zinc/35/38/88/411353888.db2.gz YFDXTRDGACCCQR-KXNHARMFSA-N 0 3 238.331 0.609 20 0 BCADHN COCCN(CCO)CCO[C@@H]1CC1(F)F ZINC000659872293 411355894 /nfs/dbraw/zinc/35/58/94/411355894.db2.gz CRVJJXVRIVEDRC-SECBINFHSA-N 0 3 239.262 0.351 20 0 BCADHN CCN1CC[C@H](N2CCC[C@@H](N(C)C)C2)C1=O ZINC000659874639 411358256 /nfs/dbraw/zinc/35/82/56/411358256.db2.gz SLKBNJJEFIIQEJ-NEPJUHHUSA-N 0 3 239.363 0.633 20 0 BCADHN CC(C)N(C)CC(=O)N(C)[C@H](C)CCO ZINC000652963194 411373165 /nfs/dbraw/zinc/37/31/65/411373165.db2.gz AEUCTARWNDNQQB-SNVBAGLBSA-N 0 3 216.325 0.556 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@@H](CC)OC[C@@H]1C ZINC000403758364 411359227 /nfs/dbraw/zinc/35/92/27/411359227.db2.gz NUVIULMKYOOGRW-IVZWLZJFSA-N 0 3 214.309 0.750 20 0 BCADHN Cc1cncnc1NC[C@@H]1CSCCN1 ZINC000641686943 411373521 /nfs/dbraw/zinc/37/35/21/411373521.db2.gz FFCMHYSEGFIGMC-SECBINFHSA-N 0 3 224.333 0.902 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCO[C@H]1CC1(F)F ZINC000658946905 411363369 /nfs/dbraw/zinc/36/33/69/411363369.db2.gz MFUXQGONOFDGFE-YUMQZZPRSA-N 0 3 236.262 0.510 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000658954729 411363895 /nfs/dbraw/zinc/36/38/95/411363895.db2.gz WGVKSMRISKGFLN-SCVCMEIPSA-N 0 3 226.320 0.465 20 0 BCADHN CC[C@@H]1COC(C)(C)CN1CC1(CO)COC1 ZINC000403870194 411364255 /nfs/dbraw/zinc/36/42/55/411364255.db2.gz RMHZJXNAOAUYET-LLVKDONJSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@H]1CN(CCN2CCCC2=O)C[C@]1(C)CO ZINC000662136355 411364847 /nfs/dbraw/zinc/36/48/47/411364847.db2.gz SRXOLMAHABTKLZ-WCQYABFASA-N 0 3 240.347 0.559 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N[C@]12C[C@H]1CCC2 ZINC000659336322 411365009 /nfs/dbraw/zinc/36/50/09/411365009.db2.gz MWRATCSQRBDOOT-NTZNESFSSA-N 0 3 238.331 0.814 20 0 BCADHN COC[C@H](CN1CC[C@H](OC(F)F)C1)OC ZINC000660490125 411373696 /nfs/dbraw/zinc/37/36/96/411373696.db2.gz XDFYBYXEQYLCTI-IUCAKERBSA-N 0 3 239.262 0.961 20 0 BCADHN CC[C@H](C(=O)N(C)[C@H](C)CCO)N(C)C ZINC000652959485 411366549 /nfs/dbraw/zinc/36/65/49/411366549.db2.gz FKFNHNHRCOQQSO-NXEZZACHSA-N 0 3 216.325 0.556 20 0 BCADHN O=C(NC/C=C/CO)Nc1ccc2c(c1)CNC2 ZINC000659022196 411367004 /nfs/dbraw/zinc/36/70/04/411367004.db2.gz KNOWHVQLLCPMQT-OWOJBTEDSA-N 0 3 247.298 0.960 20 0 BCADHN CC[C@H]1CN(C)CCN1Cc1cn(C)cn1 ZINC000660644330 411368617 /nfs/dbraw/zinc/36/86/17/411368617.db2.gz JWYACYDQSVMXPJ-LBPRGKRZSA-N 0 3 222.336 0.946 20 0 BCADHN Cc1ccncc1CCNC(=O)[C@@H](C)N ZINC000659341206 411370568 /nfs/dbraw/zinc/37/05/68/411370568.db2.gz SJNUQMCXTYSOMC-SECBINFHSA-N 0 3 207.277 0.396 20 0 BCADHN C[C@@H](CCO)N(C)C(=O)C1CCN(C)CC1 ZINC000652960655 411370894 /nfs/dbraw/zinc/37/08/94/411370894.db2.gz CRPKPGHNVRKLLF-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H](CCO)N(C)C(=O)CN1CCC(C)CC1 ZINC000652960708 411370944 /nfs/dbraw/zinc/37/09/44/411370944.db2.gz DMCMHHLCCGWVOK-LBPRGKRZSA-N 0 3 242.363 0.948 20 0 BCADHN CCN1CC[C@H](N2CCC(C)(CO)CC2)C1=O ZINC000660283441 411371862 /nfs/dbraw/zinc/37/18/62/411371862.db2.gz NNBLYPVHOGQFDK-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CO)CCF ZINC000652916563 411336453 /nfs/dbraw/zinc/33/64/53/411336453.db2.gz HMQNQCSIFSLXNH-SECBINFHSA-N 0 3 220.288 0.165 20 0 BCADHN CC[C@@H]1CN(C(=O)CNC2CC2)[C@H](C)CO1 ZINC000403997518 411372159 /nfs/dbraw/zinc/37/21/59/411372159.db2.gz ZMORXWWPBRFKED-MWLCHTKSSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)Nc2cc[nH]n2)C1 ZINC000167425193 411340769 /nfs/dbraw/zinc/34/07/69/411340769.db2.gz XWIRPNUVLSILPN-HTQZYQBOSA-N 0 3 208.265 0.736 20 0 BCADHN CC[C@H](C)N1CCN(C(=O)[C@H](C)N(C)C)CC1 ZINC000654137775 411340948 /nfs/dbraw/zinc/34/09/48/411340948.db2.gz QRDPGIPDIWOBRH-RYUDHWBXSA-N 0 3 241.379 0.879 20 0 BCADHN COCC1(C2CCC2)CN(CCC(N)=O)C1 ZINC000656705494 411340917 /nfs/dbraw/zinc/34/09/17/411340917.db2.gz KCRCELDGBDIXQP-UHFFFAOYSA-N 0 3 226.320 0.610 20 0 BCADHN CC1(C)[C@H](N[C@@H]2CCNC2=O)[C@H]2CCO[C@H]21 ZINC000309403600 168006364 /nfs/dbraw/zinc/00/63/64/168006364.db2.gz HSGCHCGCKUPLOL-ZYUZMQFOSA-N 0 3 224.304 0.278 20 0 BCADHN CC1(C)[C@H](O)CCN1CCn1cncn1 ZINC000308856014 168007785 /nfs/dbraw/zinc/00/77/85/168007785.db2.gz SXUAUFVFTIBVRL-SECBINFHSA-N 0 3 210.281 0.123 20 0 BCADHN C[C@@H]1C[C@H](N2CCO[C@H](CN(C)C)C2)CCO1 ZINC000659901437 411378660 /nfs/dbraw/zinc/37/86/60/411378660.db2.gz 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C[C@H](C(=O)N1CCCN(C)CC1)N1CC(C)C1 ZINC000654376323 411381698 /nfs/dbraw/zinc/38/16/98/411381698.db2.gz SVVODRGPDOIOHX-GFCCVEGCSA-N 0 3 239.363 0.491 20 0 BCADHN CC1CC(N[C@@H]2CS(=O)(=O)C[C@@H]2C)C1 ZINC000306509188 168148642 /nfs/dbraw/zinc/14/86/42/168148642.db2.gz BMXBHFLENYJURN-RVXWLBMTSA-N 0 3 217.334 0.808 20 0 BCADHN Cc1cnn(C)c1CNCC[C@]1(O)CCOC1 ZINC000404141670 411376359 /nfs/dbraw/zinc/37/63/59/411376359.db2.gz IHJPNETVMOBRAC-LBPRGKRZSA-N 0 3 239.319 0.360 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)CN1CCC(C)CC1 ZINC000305071225 168177516 /nfs/dbraw/zinc/17/75/16/168177516.db2.gz OTFYNGQWWJZFQG-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN CNCC(=O)NCCc1cnccc1C ZINC000659340603 411388201 /nfs/dbraw/zinc/38/82/01/411388201.db2.gz MOCHVYPWVFFTHU-UHFFFAOYSA-N 0 3 207.277 0.268 20 0 BCADHN C[C@H](CNC(=O)CC(N)=O)N1CCC(C)CC1 ZINC000353782784 168187053 /nfs/dbraw/zinc/18/70/53/168187053.db2.gz WTQDIZZWRMHPOZ-SNVBAGLBSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@H](CNC(=O)C1(N)CC1)N1CCC(C)CC1 ZINC000236723133 168187064 /nfs/dbraw/zinc/18/70/64/168187064.db2.gz IWGYSBIELJMHBT-LLVKDONJSA-N 0 3 239.363 0.714 20 0 BCADHN CC(C)NCC(=O)N(C)CCn1cccn1 ZINC000659284706 411388621 /nfs/dbraw/zinc/38/86/21/411388621.db2.gz MMKSNZDANMBWET-UHFFFAOYSA-N 0 3 224.308 0.340 20 0 BCADHN CN(CCN1CCCCC1)C(=O)c1nc[nH]n1 ZINC000652990274 411389345 /nfs/dbraw/zinc/38/93/45/411389345.db2.gz MYDCOKLAVITYGS-UHFFFAOYSA-N 0 3 237.307 0.363 20 0 BCADHN CN(CCN1CCCCC1)C(=O)C1(O)CCC1 ZINC000652990858 411389653 /nfs/dbraw/zinc/38/96/53/411389653.db2.gz FUDUAWXMGVIHMD-UHFFFAOYSA-N 0 3 240.347 0.846 20 0 BCADHN CCC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000370793061 168216677 /nfs/dbraw/zinc/21/66/77/168216677.db2.gz GZTVWIHQZRPNHH-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN CCC(=O)N1CCCN(C(=O)[C@@H](N)CC)CC1 ZINC000038101607 168217021 /nfs/dbraw/zinc/21/70/21/168217021.db2.gz WPVCZRRGKPYNAA-JTQLQIEISA-N 0 3 241.335 0.195 20 0 BCADHN CC(C)(CO)C(=O)NCCN1CCCC1 ZINC000654407794 411390984 /nfs/dbraw/zinc/39/09/84/411390984.db2.gz SZQAGHPDTKDDLZ-UHFFFAOYSA-N 0 3 214.309 0.217 20 0 BCADHN COC[C@H]1CCN(C(=O)NC[C@H](C)N(C)C)C1 ZINC000657003234 411391313 /nfs/dbraw/zinc/39/13/13/411391313.db2.gz VAWPWQZQSQDRIH-QWRGUYRKSA-N 0 3 243.351 0.614 20 0 BCADHN CCC(=O)NCCCCN1CCN(CC)CC1 ZINC000041532041 168228225 /nfs/dbraw/zinc/22/82/25/168228225.db2.gz TWPFPWUORITARL-UHFFFAOYSA-N 0 3 241.379 0.930 20 0 BCADHN CO[C@H](CNC(=O)N1CCCNCC1)C(C)C ZINC000332060458 411382437 /nfs/dbraw/zinc/38/24/37/411382437.db2.gz YOMYUDAWSYXXDL-LLVKDONJSA-N 0 3 243.351 0.662 20 0 BCADHN NC1(C(=O)NC[C@@H]2CCCO2)CC2(CCC2)C1 ZINC000659250764 411382380 /nfs/dbraw/zinc/38/23/80/411382380.db2.gz VBDZTXSJZDQXRD-JTQLQIEISA-N 0 3 238.331 0.943 20 0 BCADHN CCC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000042578731 168231363 /nfs/dbraw/zinc/23/13/63/168231363.db2.gz WAVSONOXFLSWAA-GFCCVEGCSA-N 0 3 241.379 0.785 20 0 BCADHN O[C@]1(CCNCc2ccccn2)CCOC1 ZINC000404200822 411382815 /nfs/dbraw/zinc/38/28/15/411382815.db2.gz 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BCADHN C[C@@H](NCC[C@]1(O)CCOC1)c1cnn(C)c1 ZINC000404227220 411384336 /nfs/dbraw/zinc/38/43/36/411384336.db2.gz LZUQFXBBACNFSY-PWSUYJOCSA-N 0 3 239.319 0.612 20 0 BCADHN CCn1nccc1NC(=O)CNC(C)C ZINC000659261504 411385796 /nfs/dbraw/zinc/38/57/96/411385796.db2.gz TXKHXJPLBJTNJO-UHFFFAOYSA-N 0 3 210.281 0.840 20 0 BCADHN NC1(C(=O)N2CCCOCC2)CC2(CCC2)C1 ZINC000659273902 411387322 /nfs/dbraw/zinc/38/73/22/411387322.db2.gz MPYHVQCOWMIZAH-UHFFFAOYSA-N 0 3 238.331 0.897 20 0 BCADHN CCC(C)(C)[NH2+][C@@H](C)C(=O)[N-]c1ncnn1C ZINC000273234436 168300739 /nfs/dbraw/zinc/30/07/39/168300739.db2.gz SERKKBFXFTUAGM-QMMMGPOBSA-N 0 3 239.323 0.920 20 0 BCADHN CC[C@H]1C[C@@H](NCC(=O)NC2CC2)CO1 ZINC000657305668 411456842 /nfs/dbraw/zinc/45/68/42/411456842.db2.gz QHMWBBPGXMUYQO-ZJUUUORDSA-N 0 3 212.293 0.422 20 0 BCADHN c1ncn(CCCNCc2cnn3c2CCC3)n1 ZINC000657300722 411457623 /nfs/dbraw/zinc/45/76/23/411457623.db2.gz LGYDKGCKWWRVMA-UHFFFAOYSA-N 0 3 246.318 0.601 20 0 BCADHN c1ncn(CCCNCc2cnc3n2CCC3)n1 ZINC000657301076 411458676 /nfs/dbraw/zinc/45/86/76/411458676.db2.gz RHUUZJVRUWLOMY-UHFFFAOYSA-N 0 3 246.318 0.601 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C2CC2)C1 ZINC000654881113 411458724 /nfs/dbraw/zinc/45/87/24/411458724.db2.gz YWJUBDYKIZWXCF-JQWIXIFHSA-N 0 3 240.347 0.558 20 0 BCADHN CC(C)[C@H](NC(=O)CCOC1CNC1)C1CC1 ZINC000659379221 411392746 /nfs/dbraw/zinc/39/27/46/411392746.db2.gz CDGBFZKGFWQLHD-ZDUSSCGKSA-N 0 3 240.347 0.916 20 0 BCADHN Cc1ccoc1CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000659315124 411393127 /nfs/dbraw/zinc/39/31/27/411393127.db2.gz WUVRUWIVUMQWQC-UWVGGRQHSA-N 0 3 240.278 0.947 20 0 BCADHN COCCNCC(=O)N[C@]1(C)CC1(C)C ZINC000659379690 411394065 /nfs/dbraw/zinc/39/40/65/411394065.db2.gz LQEMKZQYCSNNIP-LLVKDONJSA-N 0 3 214.309 0.527 20 0 BCADHN NC1(C(=O)NCCc2noc3ccccc23)CC1 ZINC000659331438 411395490 /nfs/dbraw/zinc/39/54/90/411395490.db2.gz JQNPYUHDDYMXOA-UHFFFAOYSA-N 0 3 245.282 0.978 20 0 BCADHN COCCNCC(=O)NCCCc1ccco1 ZINC000659381279 411397052 /nfs/dbraw/zinc/39/70/52/411397052.db2.gz CBLRSGMWADJZGN-UHFFFAOYSA-N 0 3 240.303 0.564 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](COC)C1CCOCC1 ZINC000659336453 411397343 /nfs/dbraw/zinc/39/73/43/411397343.db2.gz QMCKCFZWRXPTOY-GXSJLCMTSA-N 0 3 244.335 0.152 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N[C@@H]1CCOC1 ZINC000638284127 411461040 /nfs/dbraw/zinc/46/10/40/411461040.db2.gz CVNWPLPAYRZFJK-ZJUUUORDSA-N 0 3 214.309 0.655 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000659335733 411397885 /nfs/dbraw/zinc/39/78/85/411397885.db2.gz BMJJTZYYGGPUEI-QMMMGPOBSA-N 0 3 247.298 0.519 20 0 BCADHN CC[C@@H](COCC1CC1)NC(=O)[C@H](C)N ZINC000659338044 411398138 /nfs/dbraw/zinc/39/81/38/411398138.db2.gz ZEBDZSQYGNXTSM-WPRPVWTQSA-N 0 3 214.309 0.655 20 0 BCADHN COCC1(N(C)C(=O)CNC(C)C)CC1 ZINC000659338777 411398838 /nfs/dbraw/zinc/39/88/38/411398838.db2.gz RGLHTTLYYCAHTL-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CNC(=O)C2)[C@H](C)CO1 ZINC000659822743 411461401 /nfs/dbraw/zinc/46/14/01/411461401.db2.gz VLSZUANSLCAFJI-BBBLOLIVSA-N 0 3 212.293 0.232 20 0 BCADHN C[C@H](N)C(=O)NCC[C@]1(C)CC1(F)F ZINC000659360968 411402920 /nfs/dbraw/zinc/40/29/20/411402920.db2.gz JNSKDOQGDWTALH-POYBYMJQSA-N 0 3 206.236 0.885 20 0 BCADHN CCN(CCCn1ccnc1)C1COC1 ZINC000451282230 411403036 /nfs/dbraw/zinc/40/30/36/411403036.db2.gz BKXGRYREEVGZOI-UHFFFAOYSA-N 0 3 209.293 0.994 20 0 BCADHN COCCNCC(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000659360630 411403366 /nfs/dbraw/zinc/40/33/66/411403366.db2.gz DQRNJFSNVHRYOY-GHMZBOCLSA-N 0 3 244.335 0.296 20 0 BCADHN C[C@H](CNC(=O)CN1CC(C)(C)C1)N(C)C ZINC000654480554 411403457 /nfs/dbraw/zinc/40/34/57/411403457.db2.gz ZSUVIZJNOVJATD-SNVBAGLBSA-N 0 3 227.352 0.395 20 0 BCADHN COc1ccc(C(=O)NC[C@H](C)N(C)C)o1 ZINC000654480150 411403554 /nfs/dbraw/zinc/40/35/54/411403554.db2.gz RAINBHLCJQGXLU-QMMMGPOBSA-N 0 3 226.276 0.968 20 0 BCADHN C[C@H](CC(=O)N1CCN[C@H](C)C1)n1ccnc1 ZINC000653050781 411404929 /nfs/dbraw/zinc/40/49/29/411404929.db2.gz 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3 207.277 0.324 20 0 BCADHN CCCn1nccc1CNC[C@@](C)(O)COC ZINC000382560612 411409107 /nfs/dbraw/zinc/40/91/07/411409107.db2.gz KTZOJYOHQOAFHA-GFCCVEGCSA-N 0 3 241.335 0.780 20 0 BCADHN Cc1nscc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659387620 411409766 /nfs/dbraw/zinc/40/97/66/411409766.db2.gz YMLHJGKUPAJQNY-RKDXNWHRSA-N 0 3 243.307 0.963 20 0 BCADHN N[C@@H]1CN(C(=O)CC2CC2)CC[C@H]1F ZINC000659388688 411409823 /nfs/dbraw/zinc/40/98/23/411409823.db2.gz AGJUVUHJQRPSOY-RKDXNWHRSA-N 0 3 200.257 0.684 20 0 BCADHN Cc1cncc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000659389309 411409990 /nfs/dbraw/zinc/40/99/90/411409990.db2.gz KHUQAKOQRMWKAU-GHMZBOCLSA-N 0 3 237.278 0.901 20 0 BCADHN Cc1cnn(CC(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000659388561 411410362 /nfs/dbraw/zinc/41/03/62/411410362.db2.gz BGZPDXGYSFBWQK-NXEZZACHSA-N 0 3 240.282 0.089 20 0 BCADHN CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)O1 ZINC000659389820 411410417 /nfs/dbraw/zinc/41/04/17/411410417.db2.gz QUAUIXNUONXKMF-LNFKQOIKSA-N 0 3 244.310 0.842 20 0 BCADHN CCc1ocnc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388531 411410507 /nfs/dbraw/zinc/41/05/07/411410507.db2.gz AOWUYAURLABAHF-HTQZYQBOSA-N 0 3 241.266 0.748 20 0 BCADHN CC(C)N1CC[C@H](N(C)C(=O)[C@H](C)N(C)C)C1 ZINC000654548430 411410911 /nfs/dbraw/zinc/41/09/11/411410911.db2.gz QNDJXWKHEWYULO-RYUDHWBXSA-N 0 3 241.379 0.878 20 0 BCADHN N[C@@H]1CN(C(=O)C[C@@H]2CCOC2)CC[C@H]1F ZINC000659390573 411411295 /nfs/dbraw/zinc/41/12/95/411411295.db2.gz WOCVTOKCTSITQD-IVZWLZJFSA-N 0 3 230.283 0.311 20 0 BCADHN N[C@@H]1CN(C(=O)Cc2ccon2)CC[C@H]1F ZINC000659390528 411411392 /nfs/dbraw/zinc/41/13/92/411411392.db2.gz ZLJNGQIQHGJMSG-RKDXNWHRSA-N 0 3 227.239 0.115 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659392113 411411424 /nfs/dbraw/zinc/41/14/24/411411424.db2.gz YECWAMAOORXVSZ-RBXMUDONSA-N 0 3 200.257 0.540 20 0 BCADHN N[C@@H]1CN(C(=O)CC[C@H]2CCCO2)CC[C@H]1F ZINC000659391554 411411481 /nfs/dbraw/zinc/41/14/81/411411481.db2.gz WHNNYKHVHFVTRN-GMTAPVOTSA-N 0 3 244.310 0.843 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659392111 411411843 /nfs/dbraw/zinc/41/18/43/411411843.db2.gz YECWAMAOORXVSZ-FNCVBFRFSA-N 0 3 200.257 0.540 20 0 BCADHN C[C@H](O)CN(C(=O)N[C@@H](C)CN(C)C)C1CC1 ZINC000654563715 411412685 /nfs/dbraw/zinc/41/26/85/411412685.db2.gz PHOFQWVVQJJYHF-UWVGGRQHSA-N 0 3 243.351 0.491 20 0 BCADHN C[C@@H]1OCC[C@H]1NC1COCCOC1 ZINC000306928505 411462130 /nfs/dbraw/zinc/46/21/30/411462130.db2.gz YKBUKNIJBKFMHI-WCBMZHEXSA-N 0 3 201.266 0.169 20 0 BCADHN COCCNCC(=O)N1CCCC(F)(F)C1 ZINC000405069793 411415516 /nfs/dbraw/zinc/41/55/16/411415516.db2.gz GFSOKHHEAOXCKJ-UHFFFAOYSA-N 0 3 236.262 0.480 20 0 BCADHN CC(C)(CCN1CCO[C@H](C(N)=O)C1)C1CC1 ZINC000653526231 411417877 /nfs/dbraw/zinc/41/78/77/411417877.db2.gz XGESWLIFLJIJFI-NSHDSACASA-N 0 3 240.347 0.999 20 0 BCADHN NCC(=O)N1CCC2(CC2(F)F)CC1 ZINC000405121364 411419114 /nfs/dbraw/zinc/41/91/14/411419114.db2.gz KOIFHUQQPQVELV-UHFFFAOYSA-N 0 3 204.220 0.593 20 0 BCADHN C[C@@H]1CN([C@H]2COC(C)(C)C2)CCN1CCO ZINC000660333837 411419493 /nfs/dbraw/zinc/41/94/93/411419493.db2.gz PZFAOMZPUYYOKB-VXGBXAGGSA-N 0 3 242.363 0.552 20 0 BCADHN Cc1c[nH]nc1C(=O)NC(C)(C)CN(C)C ZINC000654657275 411424379 /nfs/dbraw/zinc/42/43/79/411424379.db2.gz OKJLPVQLLUOKLH-UHFFFAOYSA-N 0 3 224.308 0.788 20 0 BCADHN CO[C@H](CN1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000405315327 411425291 /nfs/dbraw/zinc/42/52/91/411425291.db2.gz PBIFSSLNJIOULM-YNEHKIRRSA-N 0 3 240.347 0.162 20 0 BCADHN CCN1CCN(CC[C@H]2CCNC2=O)C[C@@H]1C ZINC000653589659 411425554 /nfs/dbraw/zinc/42/55/54/411425554.db2.gz VRSMMDSWEIJZDM-NWDGAFQWSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@H]1CC(=O)NCCN1CCCC(=O)N(C)C ZINC000653593472 411426961 /nfs/dbraw/zinc/42/69/61/411426961.db2.gz BWWWLOBFEVLZPT-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN N[C@@H](CNC(=O)NC/C=C/CO)c1ccccc1 ZINC000659520079 411427590 /nfs/dbraw/zinc/42/75/90/411427590.db2.gz ONMUGICHKCITKO-ITKZLYELSA-N 0 3 249.314 0.534 20 0 BCADHN CCN(C[C@H](C)O)C(=O)[C@@H](C(C)C)N(C)C ZINC000341317672 169891712 /nfs/dbraw/zinc/89/17/12/169891712.db2.gz WUSCUANOPHVNFF-WDEREUQCSA-N 0 3 230.352 0.802 20 0 BCADHN COC(=O)C1=C(C)O[C@@H](CN(C)CCO)C1 ZINC000272216758 411433484 /nfs/dbraw/zinc/43/34/84/411433484.db2.gz CZZMLMOBRQMUSQ-SECBINFHSA-N 0 3 229.276 0.146 20 0 BCADHN Cn1cc(CCNCc2cnc3n2CCC3)cn1 ZINC000657317983 411463149 /nfs/dbraw/zinc/46/31/49/411463149.db2.gz JQCFTCPNGXILRO-UHFFFAOYSA-N 0 3 245.330 0.895 20 0 BCADHN C[C@H]1C[C@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)CO1 ZINC000659556662 411435312 /nfs/dbraw/zinc/43/53/12/411435312.db2.gz IWVVVKBLJIZDDI-AXTSPUMRSA-N 0 3 245.298 0.245 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)CO1 ZINC000659556665 411435584 /nfs/dbraw/zinc/43/55/84/411435584.db2.gz IWVVVKBLJIZDDI-UTINFBMNSA-N 0 3 245.298 0.245 20 0 BCADHN CO[C@@H](C)CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000659568276 411437295 /nfs/dbraw/zinc/43/72/95/411437295.db2.gz GIYCDSHUHHBYBS-AEJSXWLSSA-N 0 3 229.324 0.413 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@H](O)CC1 ZINC000306210297 411437394 /nfs/dbraw/zinc/43/73/94/411437394.db2.gz NYZVZSZGCDZIOW-BDAKNGLRSA-N 0 3 200.282 0.097 20 0 BCADHN CO[C@H](C)CNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000659569287 411437456 /nfs/dbraw/zinc/43/74/56/411437456.db2.gz GJOKOBITYGALJX-LPEHRKFASA-N 0 3 229.324 0.413 20 0 BCADHN CO[C@H](C)CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000659569283 411437655 /nfs/dbraw/zinc/43/76/55/411437655.db2.gz GIYCDSHUHHBYBS-OPRDCNLKSA-N 0 3 229.324 0.413 20 0 BCADHN CN1CCC[C@H](NC(=O)CN2CC(C)(C)C2)C1 ZINC000654736593 411437880 /nfs/dbraw/zinc/43/78/80/411437880.db2.gz CHWZJHPRPOEGNN-NSHDSACASA-N 0 3 239.363 0.539 20 0 BCADHN CNC(=O)CCCNCc1nc(C)c[nH]1 ZINC000657333276 411463499 /nfs/dbraw/zinc/46/34/99/411463499.db2.gz CFENDZODKWZOFJ-UHFFFAOYSA-N 0 3 210.281 0.334 20 0 BCADHN C[C@@H]1CCCCCN1C(=O)CN1CCNCC1 ZINC000070409757 411440202 /nfs/dbraw/zinc/44/02/02/411440202.db2.gz UAISBEOEAZEWJM-GFCCVEGCSA-N 0 3 239.363 0.683 20 0 BCADHN CC[C@](C)(CO)C(=O)NC[C@H]1CCCN(C)C1 ZINC000654760125 411440762 /nfs/dbraw/zinc/44/07/62/411440762.db2.gz LASIXCPZBNFQSW-DGCLKSJQSA-N 0 3 242.363 0.853 20 0 BCADHN N[C@@H]1CN(C(=O)NCC2CCC2)CC[C@H]1F ZINC000659437924 411440815 /nfs/dbraw/zinc/44/08/15/411440815.db2.gz SIMZYWDIMRCKHG-NXEZZACHSA-N 0 3 229.299 0.867 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCN(C)C[C@H]2C)C1 ZINC000654764289 411441459 /nfs/dbraw/zinc/44/14/59/411441459.db2.gz YKOBXDZOQMNHDA-VXGBXAGGSA-N 0 3 239.363 0.491 20 0 BCADHN C[C@H](O)CNCc1cc(C(F)(F)F)nn1C ZINC000657284911 411442799 /nfs/dbraw/zinc/44/27/99/411442799.db2.gz TXRBZILIMALYKI-LURJTMIESA-N 0 3 237.225 0.909 20 0 BCADHN C[C@H](O)CNCc1ccnn1-c1ccncc1 ZINC000657285155 411443207 /nfs/dbraw/zinc/44/32/07/411443207.db2.gz XAMJYXOSOHBZNL-JTQLQIEISA-N 0 3 232.287 0.738 20 0 BCADHN COC[C@@H](CN1CC[C@H](O)C(C)(C)C1)OC ZINC000660374236 411443914 /nfs/dbraw/zinc/44/39/14/411443914.db2.gz UZPOGLWOXJOWAH-MNOVXSKESA-N 0 3 231.336 0.741 20 0 BCADHN CN(C)CCNC(=O)c1ccc(CO)c(F)c1 ZINC000278513921 411445731 /nfs/dbraw/zinc/44/57/31/411445731.db2.gz BTDNQPOZBRWNBA-UHFFFAOYSA-N 0 3 240.278 0.609 20 0 BCADHN COC[C@]1(C(=O)NCC2CC2)CCCCN1 ZINC000637901632 411445785 /nfs/dbraw/zinc/44/57/85/411445785.db2.gz NWIVNXLUSVGBJE-LBPRGKRZSA-N 0 3 226.320 0.671 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@]2(CNC(=O)C2)C1 ZINC000279422452 411448570 /nfs/dbraw/zinc/44/85/70/411448570.db2.gz NLFQCDQAOIWHKZ-ZDUSSCGKSA-N 0 3 248.330 0.441 20 0 BCADHN CNC(=O)CCCNCc1cnn2c1CCC2 ZINC000657333784 411464036 /nfs/dbraw/zinc/46/40/36/411464036.db2.gz YLLZKTWAIXZPBB-UHFFFAOYSA-N 0 3 236.319 0.445 20 0 BCADHN CC[C@@H]1C[C@@H](NCC(=O)NC(C)C)CO1 ZINC000657294145 411449914 /nfs/dbraw/zinc/44/99/14/411449914.db2.gz GRJWAKWGKAWUIU-NXEZZACHSA-N 0 3 214.309 0.668 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1CO[C@H](CC)C1 ZINC000657292476 411453715 /nfs/dbraw/zinc/45/37/15/411453715.db2.gz KXEKKLOHNNECOS-LPEHRKFASA-N 0 3 214.309 0.668 20 0 BCADHN CCc1nc([C@H](C)N2CCN(C)CC2)n[nH]1 ZINC000659832511 411467566 /nfs/dbraw/zinc/46/75/66/411467566.db2.gz UGYSWZIPARWWTE-VIFPVBQESA-N 0 3 223.324 0.676 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@H]2CC(=O)N(C)C2)CO1 ZINC000657341517 411468704 /nfs/dbraw/zinc/46/87/04/411468704.db2.gz CUKWLKWFXIFFLX-IVZWLZJFSA-N 0 3 212.293 0.374 20 0 BCADHN CC1(C)CCN(CC(=O)N2CCC[C@H]2CO)C1 ZINC000654966338 411468922 /nfs/dbraw/zinc/46/89/22/411468922.db2.gz VBHGFFIFRMCNMF-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN CC(C)CNC(=O)CCCN1CCC(O)CC1 ZINC000659834709 411469174 /nfs/dbraw/zinc/46/91/74/411469174.db2.gz YLMHIRNEOLMDER-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN COCCN(C)CCNCc1nc(C)c[nH]1 ZINC000657343226 411469682 /nfs/dbraw/zinc/46/96/82/411469682.db2.gz LHACCSRUHCIDFF-UHFFFAOYSA-N 0 3 226.324 0.386 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2C[C@H](C)[C@H](O)C2)C1 ZINC000654977542 411469865 /nfs/dbraw/zinc/46/98/65/411469865.db2.gz BRHIKIIYERMZBC-OUAUKWLOSA-N 0 3 226.320 0.167 20 0 BCADHN C[C@@]1(CNCc2cnc3n2CCC3)CCC(=O)N1 ZINC000657489304 411532786 /nfs/dbraw/zinc/53/27/86/411532786.db2.gz YREBWRXKHZTLRR-ZDUSSCGKSA-N 0 3 248.330 0.588 20 0 BCADHN O=C(N=c1cc[nH][nH]1)[C@H]1CC[C@@H](C2CC2)N1 ZINC000407247666 411475637 /nfs/dbraw/zinc/47/56/37/411475637.db2.gz FKFJXYDVZCTALU-DTWKUNHWSA-N 0 3 220.276 0.301 20 0 BCADHN COCC1(CNCc2nccn2C)CC1 ZINC000655837935 411533107 /nfs/dbraw/zinc/53/31/07/411533107.db2.gz XNLUSNJJUGPCBA-UHFFFAOYSA-N 0 3 209.293 0.936 20 0 BCADHN Cc1cc(=NC(=O)[C@@H]2CC[C@H](C3CC3)N2)[nH][nH]1 ZINC000407318933 411479070 /nfs/dbraw/zinc/47/90/70/411479070.db2.gz VEKVNDFXHDJTJK-ZJUUUORDSA-N 0 3 234.303 0.609 20 0 BCADHN C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CO)C2)C1 ZINC000655025278 411479557 /nfs/dbraw/zinc/47/95/57/411479557.db2.gz VJWUICRQMICJIG-TUAOUCFPSA-N 0 3 240.347 0.415 20 0 BCADHN OC[C@H]1CCCN1CCO[C@H]1CC1(F)F ZINC000659857800 411480376 /nfs/dbraw/zinc/48/03/76/411480376.db2.gz RKKMALZXGJPNBB-BDAKNGLRSA-N 0 3 221.247 0.867 20 0 BCADHN CO[C@H](CN1CCCOCC1)[C@H]1CCOC1 ZINC000659861743 411481093 /nfs/dbraw/zinc/48/10/93/411481093.db2.gz ZJBQKHGPPLTZHP-NWDGAFQWSA-N 0 3 229.320 0.760 20 0 BCADHN C[C@H]1CCN(CCN2C(=O)CN(C)C2=O)C1 ZINC000659867610 411482180 /nfs/dbraw/zinc/48/21/80/411482180.db2.gz MTKZXVYPTJTBLJ-VIFPVBQESA-N 0 3 225.292 0.222 20 0 BCADHN O[C@@H](CNCc1cnn2c1CCC2)C1CC1 ZINC000657366184 411482219 /nfs/dbraw/zinc/48/22/19/411482219.db2.gz IUUNZQBLDIRLNJ-LBPRGKRZSA-N 0 3 221.304 0.690 20 0 BCADHN COC[C@@](C)(O)CNCc1cnn2c1CCC2 ZINC000657373676 411482432 /nfs/dbraw/zinc/48/24/32/411482432.db2.gz ZBGUXFRJGXKWRG-LBPRGKRZSA-N 0 3 239.319 0.316 20 0 BCADHN O=C1NCCC[C@H]1CNCc1cnn2c1CCC2 ZINC000657489962 411533360 /nfs/dbraw/zinc/53/33/60/411533360.db2.gz CVDXCJZXKRWCLO-JTQLQIEISA-N 0 3 248.330 0.445 20 0 BCADHN Cc1c[nH]c(CNCC2(O)CCN(C)CC2)n1 ZINC000657370307 411483739 /nfs/dbraw/zinc/48/37/39/411483739.db2.gz BPXBOGOEKQEXED-UHFFFAOYSA-N 0 3 238.335 0.264 20 0 BCADHN CCN1CCCN(Cc2cn(C)cn2)CC1 ZINC000659871095 411484608 /nfs/dbraw/zinc/48/46/08/411484608.db2.gz MSPLIMKPYOUFJX-UHFFFAOYSA-N 0 3 222.336 0.948 20 0 BCADHN CC(C)N1CC(NC(=O)C2CCN(C)CC2)C1 ZINC000655052268 411485609 /nfs/dbraw/zinc/48/56/09/411485609.db2.gz FRHQXUKGKPZUSI-UHFFFAOYSA-N 0 3 239.363 0.537 20 0 BCADHN C[C@@H](O)CN1CCN(Cc2cccc(N)c2)CC1 ZINC000659874705 411485678 /nfs/dbraw/zinc/48/56/78/411485678.db2.gz HAOAMKBPIVEZGH-GFCCVEGCSA-N 0 3 249.358 0.767 20 0 BCADHN Cc1ncc(CNC[C@H]2CCC[C@@H]2O)n1C ZINC000657377752 411485785 /nfs/dbraw/zinc/48/57/85/411485785.db2.gz GANGJFJGUCEEDK-PWSUYJOCSA-N 0 3 223.320 0.979 20 0 BCADHN Cc1c[nH]c(CN[C@@H]2CCc3nnnn3CC2)n1 ZINC000657494034 411533455 /nfs/dbraw/zinc/53/34/55/411533455.db2.gz LLUPLSRAAHIXDA-SECBINFHSA-N 0 3 247.306 0.199 20 0 BCADHN O=C1NCCC[C@@H]1CNCc1cnn2c1CCC2 ZINC000657489963 411533523 /nfs/dbraw/zinc/53/35/23/411533523.db2.gz CVDXCJZXKRWCLO-SNVBAGLBSA-N 0 3 248.330 0.445 20 0 BCADHN COC[C@H](CN1CCCO[C@H](C)C1)OC ZINC000659875798 411487667 /nfs/dbraw/zinc/48/76/67/411487667.db2.gz ZQUFITDWAPYOHC-MNOVXSKESA-N 0 3 217.309 0.759 20 0 BCADHN C[C@@H](CCO)CNCc1cc2n(n1)CCC2 ZINC000657385243 411488811 /nfs/dbraw/zinc/48/88/11/411488811.db2.gz SIJNASRDMAJKLE-JTQLQIEISA-N 0 3 223.320 0.937 20 0 BCADHN CC[C@@H]1C[C@H](N[C@H]2CCCN(C)C2=O)CO1 ZINC000657386463 411489169 /nfs/dbraw/zinc/48/91/69/411489169.db2.gz CELWNHGRKFBWJE-AXFHLTTASA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCC[C@H]2O)C1 ZINC000655070485 411489281 /nfs/dbraw/zinc/48/92/81/411489281.db2.gz FNZZQRCRVOPXPC-QJPTWQEYSA-N 0 3 240.347 0.700 20 0 BCADHN CCN1CC[C@H](N2CCC[C@H](CCO)C2)C1=O ZINC000659881659 411490010 /nfs/dbraw/zinc/49/00/10/411490010.db2.gz NVAYPWPOCLXXQA-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN COCCN(CC1CC=CC1)[C@@H](C)C(N)=O ZINC000659904673 411492288 /nfs/dbraw/zinc/49/22/88/411492288.db2.gz PGVHTPXOPXWQEW-JTQLQIEISA-N 0 3 226.320 0.775 20 0 BCADHN CCN1CC[C@@H](N2CCC(CCO)CC2)C1=O ZINC000659907019 411493971 /nfs/dbraw/zinc/49/39/71/411493971.db2.gz VITAZHWIOAMFGD-GFCCVEGCSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCO[C@@H]3C[C@@H]32)C1 ZINC000655104653 411495725 /nfs/dbraw/zinc/49/57/25/411495725.db2.gz KUHULNUFVLUYSG-OUAUKWLOSA-N 0 3 224.304 0.328 20 0 BCADHN Cc1cccc(CN(C)C[C@@H]2CNC(=O)C2)n1 ZINC000660080541 411534039 /nfs/dbraw/zinc/53/40/39/411534039.db2.gz LUTVEAHZXMNXBY-NSHDSACASA-N 0 3 233.315 0.958 20 0 BCADHN C[C@H](CCO)CCNC(=O)CN1CC[C@@H](C)C1 ZINC000655119637 411498303 /nfs/dbraw/zinc/49/83/03/411498303.db2.gz NZINGGNIVOCACH-NWDGAFQWSA-N 0 3 242.363 0.853 20 0 BCADHN CC[C@@H]1C[C@H](NC[C@H](C)S(C)(=O)=O)CO1 ZINC000657415978 411499646 /nfs/dbraw/zinc/49/96/46/411499646.db2.gz JSFOOONFKDIJPS-LPEHRKFASA-N 0 3 235.349 0.577 20 0 BCADHN COCCN(C[C@H](COC)OC)[C@H]1CCOC1 ZINC000660432093 411501911 /nfs/dbraw/zinc/50/19/11/411501911.db2.gz KEERDEOUSAFFLN-NWDGAFQWSA-N 0 3 247.335 0.385 20 0 BCADHN COC[C@@H](CN(CCCO)C1CC1)OC ZINC000659935036 411503731 /nfs/dbraw/zinc/50/37/31/411503731.db2.gz HJCCHUBYXKNURN-LLVKDONJSA-N 0 3 217.309 0.495 20 0 BCADHN C[C@H](N[C@@H]1CCO[C@@H]1C)C(=O)NCCF ZINC000336746366 411505603 /nfs/dbraw/zinc/50/56/03/411505603.db2.gz BVRPZIVXAFDXGJ-DJLDLDEBSA-N 0 3 218.272 0.228 20 0 BCADHN CCN1CC[C@H](N2CC[C@@H](COC)C2)C1=O ZINC000659945749 411507138 /nfs/dbraw/zinc/50/71/38/411507138.db2.gz BXHFBYSWCFCXFV-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H](C(=O)NCc1ccc2cncn2c1)N(C)C ZINC000655153550 411507658 /nfs/dbraw/zinc/50/76/58/411507658.db2.gz ZHJWWFPRPVKHQM-JTQLQIEISA-N 0 3 246.314 0.901 20 0 BCADHN CC[C@@H]1C[C@@H](NCC(=O)N(C)CC)CO1 ZINC000657439480 411507993 /nfs/dbraw/zinc/50/79/93/411507993.db2.gz HPMFFVJMEDTZGZ-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)(C)[C@@H]1CN(C[C@@H]2CNC(=O)C2)CCO1 ZINC000660442086 411509680 /nfs/dbraw/zinc/50/96/80/411509680.db2.gz NPMAPWFTOVMHFN-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN CO[C@@](C)(CO)CN[C@@H](C)c1ccnn1C ZINC000655795718 411516157 /nfs/dbraw/zinc/51/61/57/411516157.db2.gz FIOLAYOHGOHSRK-GXSJLCMTSA-N 0 3 227.308 0.468 20 0 BCADHN CO[C@](C)(CO)CN[C@H](C)c1ccnn1C ZINC000655795719 411516382 /nfs/dbraw/zinc/51/63/82/411516382.db2.gz FIOLAYOHGOHSRK-KOLCDFICSA-N 0 3 227.308 0.468 20 0 BCADHN CO[C@@H](CN1C[C@H](O)C[C@H](O)C1)C1CCCC1 ZINC000659976402 411516516 /nfs/dbraw/zinc/51/65/16/411516516.db2.gz AQTFVYBTOIAVLR-XQQFMLRXSA-N 0 3 243.347 0.619 20 0 BCADHN COCCN(CCO)CCO[C@@H]1CCCCO1 ZINC000164592526 411516770 /nfs/dbraw/zinc/51/67/70/411516770.db2.gz LOKVCBKYIKMIMB-GFCCVEGCSA-N 0 3 247.335 0.470 20 0 BCADHN C[C@@H](CN(C)C)NCc1cnn2c1CCC2 ZINC000657465026 411518218 /nfs/dbraw/zinc/51/82/18/411518218.db2.gz FGUYZTYIJZFFNT-JTQLQIEISA-N 0 3 222.336 0.869 20 0 BCADHN N[C@@H](CC(=O)N[C@H]1CCOC1)c1ccccc1 ZINC000131394661 411518412 /nfs/dbraw/zinc/51/84/12/411518412.db2.gz YMZOOPXTYDCJQR-RYUDHWBXSA-N 0 3 234.299 0.982 20 0 BCADHN CO[C@](C)(CO)CN[C@H]1CO[C@@H](C)C1 ZINC000655802866 411518863 /nfs/dbraw/zinc/51/88/63/411518863.db2.gz ZDHGJGKEMMKPDZ-AEJSXWLSSA-N 0 3 203.282 0.151 20 0 BCADHN CO[C@](C)(CO)CN[C@@H]1CO[C@@H](C)C1 ZINC000655802868 411518867 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207.277 0.839 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC000334578920 170011604 /nfs/dbraw/zinc/01/16/04/170011604.db2.gz LZPJDTMRNWELAN-SECBINFHSA-N 0 3 222.292 0.542 20 0 BCADHN CCN1CC[C@@H]2OCCN(C[C@H](C)O)[C@@H]2C1 ZINC000339380062 170013666 /nfs/dbraw/zinc/01/36/66/170013666.db2.gz KKTFNGPRAQMFNG-TUAOUCFPSA-N 0 3 228.336 0.162 20 0 BCADHN CCN1CC[C@@H]2OCCN(C[C@H](C)OC)[C@H]2C1 ZINC000339380118 170014229 /nfs/dbraw/zinc/01/42/29/170014229.db2.gz KZWVIUDBTBNOHT-AVGNSLFASA-N 0 3 242.363 0.816 20 0 BCADHN CCN1CC[C@H](NC(=O)N[C@@H]2CCCOC2)C1 ZINC000334043818 170018868 /nfs/dbraw/zinc/01/88/68/170018868.db2.gz PIIRSQROBHRSFU-WDEREUQCSA-N 0 3 241.335 0.559 20 0 BCADHN CCN1CC[C@H](NCc2ccnn2C)C1 ZINC000328163279 170020233 /nfs/dbraw/zinc/02/02/33/170020233.db2.gz IDSWSGJNCNJGKJ-JTQLQIEISA-N 0 3 208.309 0.604 20 0 BCADHN CCN1CC[C@H](NCc2cn(C)nc2C)C1 ZINC000328187837 170021212 /nfs/dbraw/zinc/02/12/12/170021212.db2.gz ONHOTLKKUGEZSY-LBPRGKRZSA-N 0 3 222.336 0.912 20 0 BCADHN CCN1CC[C@H]2OCCN(CCCO)[C@@H]2C1 ZINC000339396407 170024664 /nfs/dbraw/zinc/02/46/64/170024664.db2.gz TWYJAKRHRUZYHO-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN COC[C@H](CN1CCc2cn[nH]c2C1)OC ZINC000660119804 411539451 /nfs/dbraw/zinc/53/94/51/411539451.db2.gz XVGZKKCUXFYKFQ-JTQLQIEISA-N 0 3 225.292 0.429 20 0 BCADHN CCN1C[C@@H](C)N(C(=O)c2cnc[nH]2)C[C@@H]1C ZINC000336248399 170027473 /nfs/dbraw/zinc/02/74/73/170027473.db2.gz ZJJLZNNFSYFDAU-VHSXEESVSA-N 0 3 236.319 0.964 20 0 BCADHN CCN1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375509843 170027982 /nfs/dbraw/zinc/02/79/82/170027982.db2.gz GEWMUXZDRSZUIS-PHDIDXHHSA-N 0 3 210.199 0.602 20 0 BCADHN CCN1C[C@@H](C)N(CC(=O)NC(C)C)C[C@@H]1C ZINC000346225511 170028049 /nfs/dbraw/zinc/02/80/49/170028049.db2.gz ZQKPRCLORTZEFD-NWDGAFQWSA-N 0 3 241.379 0.926 20 0 BCADHN CCN1C[C@@H](C)N(CC(=O)NC(C)C)C[C@H]1C ZINC000346225515 170028242 /nfs/dbraw/zinc/02/82/42/170028242.db2.gz ZQKPRCLORTZEFD-VXGBXAGGSA-N 0 3 241.379 0.926 20 0 BCADHN CCCn1nccc1CNC[C@@](C)(CO)OC ZINC000657505944 411539900 /nfs/dbraw/zinc/53/99/00/411539900.db2.gz XDWYMSQFNJEZPP-LBPRGKRZSA-N 0 3 241.335 0.780 20 0 BCADHN CC[C@@H]1C[C@@H](NC[C@@](C)(CO)OC)CO1 ZINC000657505290 411539962 /nfs/dbraw/zinc/53/99/62/411539962.db2.gz OBBPFVJFFVVYIO-MXWKQRLJSA-N 0 3 217.309 0.541 20 0 BCADHN CCN1C[C@H](C)N(Cc2cn(C)nn2)C[C@@H]1C ZINC000346170664 170033136 /nfs/dbraw/zinc/03/31/36/170033136.db2.gz DUYKDIFEKUCFTN-QWRGUYRKSA-N 0 3 237.351 0.730 20 0 BCADHN CCN1C[C@H](C)N(C[C@H](C)O)C[C@H]1C ZINC000337185819 170033861 /nfs/dbraw/zinc/03/38/61/170033861.db2.gz PBNIKSKSKSIPIW-VWYCJHECSA-N 0 3 200.326 0.782 20 0 BCADHN CCN1C[C@H](C)N(Cc2ncnn2C)C[C@@H]1C ZINC000346168610 170034335 /nfs/dbraw/zinc/03/43/35/170034335.db2.gz QDAHFHFKKPAWEM-QWRGUYRKSA-N 0 3 237.351 0.730 20 0 BCADHN CCN1C[C@H](NC[C@H](O)C(F)(F)F)[C@@H](C)C1 ZINC000309979981 170036094 /nfs/dbraw/zinc/03/60/94/170036094.db2.gz VQZPYKXATYWIMD-CIUDSAMLSA-N 0 3 240.269 0.839 20 0 BCADHN CCN1CCN(CCc2cn[nH]n2)C[C@@H]1C ZINC000660124969 411541530 /nfs/dbraw/zinc/54/15/30/411541530.db2.gz FPGYCRUQFQJVHI-JTQLQIEISA-N 0 3 223.324 0.373 20 0 BCADHN CCNC(=O)CCN1CCCC[C@@H]1C(=N)NO ZINC000372309907 170050313 /nfs/dbraw/zinc/05/03/13/170050313.db2.gz QGJGHPUJLPPNKB-SECBINFHSA-N 0 3 242.323 0.323 20 0 BCADHN COC[C@@H](CN(C)C1(C(N)=O)CCCC1)OC ZINC000660127562 411542517 /nfs/dbraw/zinc/54/25/17/411542517.db2.gz BIPDVKDXVNCFFM-SNVBAGLBSA-N 0 3 244.335 0.378 20 0 BCADHN CCNC(=O)CN1CCCC12CCOCC2 ZINC000376198453 170058204 /nfs/dbraw/zinc/05/82/04/170058204.db2.gz QAHASZKKDICMEC-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN CCNC(=O)CN1CCCC[C@H]1[C@@H](O)CC ZINC000112680859 170058357 /nfs/dbraw/zinc/05/83/57/170058357.db2.gz JLFVUZJPGAALJW-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN CCNC(=O)CN1CCCC[C@H](CO)C1 ZINC000374050834 170059102 /nfs/dbraw/zinc/05/91/02/170059102.db2.gz OSRYGUVTRALYEZ-JTQLQIEISA-N 0 3 214.309 0.217 20 0 BCADHN CCNC(=O)CN1CCC[C@H](c2nc[nH]n2)C1 ZINC000331302982 170060311 /nfs/dbraw/zinc/06/03/11/170060311.db2.gz QHGLQYSWPPPIFG-VIFPVBQESA-N 0 3 237.307 0.120 20 0 BCADHN CCNC(=O)CN1CC[C@H]2CCN(C)C[C@H]21 ZINC000361106861 170060623 /nfs/dbraw/zinc/06/06/23/170060623.db2.gz PUEPKQVERFIQDP-GHMZBOCLSA-N 0 3 225.336 0.149 20 0 BCADHN CCNC(=O)CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374389283 170060942 /nfs/dbraw/zinc/06/09/42/170060942.db2.gz FNKCASKMOXQWDH-GHMZBOCLSA-N 0 3 226.320 0.481 20 0 BCADHN CCNC(=O)CN1CC[C@@H]2CCN(C)C[C@H]21 ZINC000361106864 170061682 /nfs/dbraw/zinc/06/16/82/170061682.db2.gz PUEPKQVERFIQDP-WDEREUQCSA-N 0 3 225.336 0.149 20 0 BCADHN CCNC(=O)CNC(=O)C[C@H](N)c1ccccc1 ZINC000036780641 170062028 /nfs/dbraw/zinc/06/20/28/170062028.db2.gz LZBDVPPGKJVHOQ-NSHDSACASA-N 0 3 249.314 0.329 20 0 BCADHN CCNC(=O)CN[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000336752539 170065378 /nfs/dbraw/zinc/06/53/78/170065378.db2.gz DKYMNSUAPNKJLM-FBIMIBRVSA-N 0 3 228.336 0.772 20 0 BCADHN CCNC(=O)CN[C@H](CC)[C@H]1CCCO1 ZINC000331346885 170065634 /nfs/dbraw/zinc/06/56/34/170065634.db2.gz MGHVGLWZMLDFLO-NXEZZACHSA-N 0 3 214.309 0.670 20 0 BCADHN CCNC(=O)CN[C@@H](CC)[C@H]1CCCO1 ZINC000331346887 170065851 /nfs/dbraw/zinc/06/58/51/170065851.db2.gz MGHVGLWZMLDFLO-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN CCNC(=O)CN[C@H]1CSC[C@@H]1C ZINC000336643419 170066157 /nfs/dbraw/zinc/06/61/57/170066157.db2.gz HZGISTQPPZWSIM-YUMQZZPRSA-N 0 3 202.323 0.464 20 0 BCADHN CCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000337983992 170072418 /nfs/dbraw/zinc/07/24/18/170072418.db2.gz VGLPMYGQDVPIIO-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN CCNC(=O)N1CCCN(CCCOC)CC1 ZINC000369511699 170073166 /nfs/dbraw/zinc/07/31/66/170073166.db2.gz OKAGHLBLCMDLGU-UHFFFAOYSA-N 0 3 243.351 0.760 20 0 BCADHN CCNC(=O)NC(=O)CN(C(C)C)C1CC1 ZINC000074237501 170075850 /nfs/dbraw/zinc/07/58/50/170075850.db2.gz APRGXYMXKLFJFH-UHFFFAOYSA-N 0 3 227.308 0.705 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](C)C1 ZINC000015376871 170077624 /nfs/dbraw/zinc/07/76/24/170077624.db2.gz 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ZINC000351653939 170228121 /nfs/dbraw/zinc/22/81/21/170228121.db2.gz XPSDLCVUNVYLMO-NXEZZACHSA-N 0 3 231.292 0.021 20 0 BCADHN CCOC(=O)COCCN1CC[C@H](O)C1(C)C ZINC000310518779 170228303 /nfs/dbraw/zinc/22/83/03/170228303.db2.gz WCZPOCKZOOFJQM-JTQLQIEISA-N 0 3 245.319 0.411 20 0 BCADHN CC[C@@H](C)CCNCc1cn(CC(N)=O)nn1 ZINC000657587399 411557807 /nfs/dbraw/zinc/55/78/07/411557807.db2.gz UNCRJBNIFNFUDO-SECBINFHSA-N 0 3 239.323 0.289 20 0 BCADHN CCOC(=O)[C@@H](C)CNC(=O)[C@H]1CCCCN1 ZINC000236944953 170245197 /nfs/dbraw/zinc/24/51/97/170245197.db2.gz BTQSLVFWJGMGKO-VHSXEESVSA-N 0 3 242.319 0.444 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)NC1CC1 ZINC000358800885 170248042 /nfs/dbraw/zinc/24/80/42/170248042.db2.gz BJGXUBYIDKSNFQ-DTWKUNHWSA-N 0 3 242.319 0.442 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)N(C)CC ZINC000338296526 170248232 /nfs/dbraw/zinc/24/82/32/170248232.db2.gz NSVYIPMLXYJPQR-VHSXEESVSA-N 0 3 244.335 0.642 20 0 BCADHN CCOC(=O)[C@@H](CC)N1CC[C@](C)(C(N)=O)C1 ZINC000300530011 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HMNFLTGDIDUDRK-JTQLQIEISA-N 0 3 229.320 0.842 20 0 BCADHN CCOC1CCN(C(=O)[C@@H](N)CC)CC1 ZINC000040690029 170332503 /nfs/dbraw/zinc/33/25/03/170332503.db2.gz ALHBVGRFAFFMSB-JTQLQIEISA-N 0 3 214.309 0.751 20 0 BCADHN CCOC1CC2(C1)CCN([C@@H]1COC[C@@H]1O)C2 ZINC000361383170 170332821 /nfs/dbraw/zinc/33/28/21/170332821.db2.gz ZSDIBERNVHVDSO-QBHFIFKDSA-N 0 3 241.331 0.637 20 0 BCADHN CCOCC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000120587373 170338623 /nfs/dbraw/zinc/33/86/23/170338623.db2.gz PDHZDLLGKZKDPE-QWRGUYRKSA-N 0 3 228.336 0.822 20 0 BCADHN CCOCC(=O)N1CCNC(C)(C)C1 ZINC000148051725 170341526 /nfs/dbraw/zinc/34/15/26/170341526.db2.gz WOHDYWHDYXGPKJ-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN CCOCC(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000340595800 170342209 /nfs/dbraw/zinc/34/22/09/170342209.db2.gz RRAXNRIWYIVUJI-ZJUUUORDSA-N 0 3 246.376 0.527 20 0 BCADHN CCOCC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000340595797 170342683 /nfs/dbraw/zinc/34/26/83/170342683.db2.gz RRAXNRIWYIVUJI-UWVGGRQHSA-N 0 3 246.376 0.527 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CNC(=O)C2)[C@H](C)[C@@H](C)O1 ZINC000660374509 411575124 /nfs/dbraw/zinc/57/51/24/411575124.db2.gz ILVOFQQZORCHTB-DBIOUOCHSA-N 0 3 226.320 0.620 20 0 BCADHN CCOCC(=O)NC[C@@H](N)c1ccccc1 ZINC000062838198 170344384 /nfs/dbraw/zinc/34/43/84/170344384.db2.gz HXOSYXABZZSANY-LLVKDONJSA-N 0 3 222.288 0.839 20 0 BCADHN C[C@@H]1CN(CCc2c[nH]nn2)[C@H](C)[C@H](C)O1 ZINC000660375449 411575426 /nfs/dbraw/zinc/57/54/26/411575426.db2.gz UHKIDQOLTSWAFI-BBBLOLIVSA-N 0 3 224.308 0.845 20 0 BCADHN CC[C@]1(C)CN(C[C@H]2CNC(=O)C2)CCO1 ZINC000660379989 411575532 /nfs/dbraw/zinc/57/55/32/411575532.db2.gz IVOKKGFRIPUHOV-ZYHUDNBSSA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCCNC(=O)C1CC1 ZINC000130178830 411575624 /nfs/dbraw/zinc/57/56/24/411575624.db2.gz HTFAFMRFBWZUMX-SNVBAGLBSA-N 0 3 241.335 0.002 20 0 BCADHN CCOCC(C)(C)NCC(=O)N1CCC1 ZINC000339369043 170354010 /nfs/dbraw/zinc/35/40/10/170354010.db2.gz HRHNEENSNOZRQW-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CCOCCC(=O)N1CCCNCC1 ZINC000049474970 170358453 /nfs/dbraw/zinc/35/84/53/170358453.db2.gz YDGJWZYKMBMBEF-UHFFFAOYSA-N 0 3 200.282 0.235 20 0 BCADHN CCOCCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000374917122 170359727 /nfs/dbraw/zinc/35/97/27/170359727.db2.gz XYHDIPFWODGKFV-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](O)CNCc1ccnn1CCCOC ZINC000657644008 411568433 /nfs/dbraw/zinc/56/84/33/411568433.db2.gz NWZGVUOLLYOEQA-GFCCVEGCSA-N 0 3 241.335 0.780 20 0 BCADHN CCOCCCCNC(=O)C(N)C(F)(F)F ZINC000353176366 170368103 /nfs/dbraw/zinc/36/81/03/170368103.db2.gz GOKATEDAEFMKCT-SSDOTTSWSA-N 0 3 242.241 0.809 20 0 BCADHN CCN1CC[C@H](N2CC[C@H](O)[C@@H](C)C2)C1=O ZINC000660331186 411570125 /nfs/dbraw/zinc/57/01/25/411570125.db2.gz QPABSHDUKMHMQK-DCAQKATOSA-N 0 3 226.320 0.310 20 0 BCADHN CCOCCN(C)CC1CCS(=O)(=O)CC1 ZINC000357555534 170388536 /nfs/dbraw/zinc/38/85/36/170388536.db2.gz RZLKUERLBCNFCX-UHFFFAOYSA-N 0 3 249.376 0.780 20 0 BCADHN CCOCCN(CC)C(=O)[C@@H](N)CC(F)F ZINC000336643805 170393809 /nfs/dbraw/zinc/39/38/09/170393809.db2.gz BFWUBGURAGZEKB-QMMMGPOBSA-N 0 3 238.278 0.854 20 0 BCADHN CCOCCN1CCN(CC[C@H](C)O)CC1 ZINC000336661458 170399508 /nfs/dbraw/zinc/39/95/08/170399508.db2.gz BRXKKTICRMPQDS-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN CC1(C)C[C@H](N2CCC[C@@](O)(CO)C2)CO1 ZINC000660776181 411625636 /nfs/dbraw/zinc/62/56/36/411625636.db2.gz ICKWIUMCNTVGDH-JQWIXIFHSA-N 0 3 229.320 0.373 20 0 BCADHN CC1(C)C[C@H](N2CCC[C@](O)(CO)C2)CO1 ZINC000660776180 411625953 /nfs/dbraw/zinc/62/59/53/411625953.db2.gz ICKWIUMCNTVGDH-CMPLNLGQSA-N 0 3 229.320 0.373 20 0 BCADHN C[C@@H](NCCc1cn[nH]n1)c1ccn(C)n1 ZINC000660777970 411626430 /nfs/dbraw/zinc/62/64/30/411626430.db2.gz AMPREGFXXNBDFU-MRVPVSSYSA-N 0 3 220.280 0.432 20 0 BCADHN C[C@@H](NCCc1c[nH]nn1)c1ccn(C)n1 ZINC000660777970 411626434 /nfs/dbraw/zinc/62/64/34/411626434.db2.gz AMPREGFXXNBDFU-MRVPVSSYSA-N 0 3 220.280 0.432 20 0 BCADHN Cc1ncc(CNCCOCCF)n1C ZINC000663338165 411628859 /nfs/dbraw/zinc/62/88/59/411628859.db2.gz FETVXTAQUURKCD-UHFFFAOYSA-N 0 3 215.272 0.804 20 0 BCADHN CN(C)c1ncc(CNCCOCCF)cn1 ZINC000663340155 411629483 /nfs/dbraw/zinc/62/94/83/411629483.db2.gz JPQPDQPAKATJDU-UHFFFAOYSA-N 0 3 242.298 0.618 20 0 BCADHN CCn1nnc(C)c1CNCCOCCF ZINC000663338660 411629886 /nfs/dbraw/zinc/62/98/86/411629886.db2.gz LVOZMYRKOYYQQR-UHFFFAOYSA-N 0 3 230.287 0.682 20 0 BCADHN CCN1CCC[C@H]1CNc1nnc(C)o1 ZINC000450211947 411631869 /nfs/dbraw/zinc/63/18/69/411631869.db2.gz BEGKVWIKUMEEAL-VIFPVBQESA-N 0 3 210.281 1.274 20 0 BCADHN CN(C)C(=O)C1(NCCO[C@H]2CC2(F)F)CC1 ZINC000660801186 411632749 /nfs/dbraw/zinc/63/27/49/411632749.db2.gz PDGHMRDGVNJKJF-QMMMGPOBSA-N 0 3 248.273 0.621 20 0 BCADHN CCCNC(=O)CN1CCCN(CC)C[C@H]1C ZINC000660787107 411633740 /nfs/dbraw/zinc/63/37/40/411633740.db2.gz HDPUSWPGJSKKQX-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CCN1CCCN(CC(=O)N2CCC2)[C@@H](C)C1 ZINC000660793895 411636235 /nfs/dbraw/zinc/63/62/35/411636235.db2.gz ZAYVHFGYWVEZSY-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CCCN1CC[C@H](NC[C@@H](C)S(C)(=O)=O)C1 ZINC000663364518 411636808 /nfs/dbraw/zinc/63/68/08/411636808.db2.gz JAWWMQGAJBGQIB-MNOVXSKESA-N 0 3 248.392 0.493 20 0 BCADHN CCN1CC[C@H](Nc2nccn(C3CC3)c2=O)C1 ZINC000389209494 411637010 /nfs/dbraw/zinc/63/70/10/411637010.db2.gz BMKFIGRLGWXSMJ-JTQLQIEISA-N 0 3 248.330 1.084 20 0 BCADHN CCCN1CC[C@H](NC[C@H](C)S(C)(=O)=O)C1 ZINC000663364519 411637541 /nfs/dbraw/zinc/63/75/41/411637541.db2.gz JAWWMQGAJBGQIB-QWRGUYRKSA-N 0 3 248.392 0.493 20 0 BCADHN C[C@](O)(CNCCOCCF)C(F)(F)F ZINC000663375222 411640820 /nfs/dbraw/zinc/64/08/20/411640820.db2.gz BQNYEYQANJDLJT-ZETCQYMHSA-N 0 3 233.205 0.875 20 0 BCADHN CCN1CCN(CCNc2nccnc2C)CC1 ZINC000663397488 411647227 /nfs/dbraw/zinc/64/72/27/411647227.db2.gz LLLFHUNMHSJSDY-UHFFFAOYSA-N 0 3 249.362 0.834 20 0 BCADHN CCOCC[C@@H](O)CNCc1ccnn1CC ZINC000663378023 411642259 /nfs/dbraw/zinc/64/22/59/411642259.db2.gz ZWRKNJIYTDTCKR-GFCCVEGCSA-N 0 3 241.335 0.780 20 0 BCADHN C[C@@H](O)[C@H]1CN([C@@H]2CCO[C@H](C)C2)CCO1 ZINC000660812420 411643106 /nfs/dbraw/zinc/64/31/06/411643106.db2.gz NUEIIGUTBXUCBJ-DDHJBXDOSA-N 0 3 229.320 0.636 20 0 BCADHN CCN1CC[C@H](N(C)CCCCO)C1=O ZINC000660391717 411578335 /nfs/dbraw/zinc/57/83/35/411578335.db2.gz BFCSGYJZNQJHTG-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN C[C@H]1COC(C)(C)CN1C[C@H]1CNC(=O)C1 ZINC000660406978 411580955 /nfs/dbraw/zinc/58/09/55/411580955.db2.gz KFVRJBCMJGLWBV-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN Cn1ccnc1CNC[C@@H](CO)CC1CC1 ZINC000657699212 411582266 /nfs/dbraw/zinc/58/22/66/411582266.db2.gz CFYQXNYRPOGHFH-NSHDSACASA-N 0 3 223.320 0.918 20 0 BCADHN OC[C@H](CNCc1cc[nH]n1)CC1CC1 ZINC000657701298 411582462 /nfs/dbraw/zinc/58/24/62/411582462.db2.gz XEUDIIZRIGOFDZ-JTQLQIEISA-N 0 3 209.293 0.908 20 0 BCADHN CCN1OC[C@H](N[C@H]2CCC[C@H]2CCO)C1=O ZINC000660430080 411583420 /nfs/dbraw/zinc/58/34/20/411583420.db2.gz GMTKJWGNFLVYHU-DCAQKATOSA-N 0 3 242.319 0.289 20 0 BCADHN c1cc([C@@H]2CCCN2CCc2c[nH]nn2)n[nH]1 ZINC000660431485 411583912 /nfs/dbraw/zinc/58/39/12/411583912.db2.gz ZNICINXBIOAZQK-NSHDSACASA-N 0 3 232.291 0.907 20 0 BCADHN CC(C)(C)[C@H]1CN(C[C@H]2CNC(=O)C2)CCO1 ZINC000660442084 411584773 /nfs/dbraw/zinc/58/47/73/411584773.db2.gz NPMAPWFTOVMHFN-GHMZBOCLSA-N 0 3 240.347 0.869 20 0 BCADHN Cn1cncc1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000657708554 411585188 /nfs/dbraw/zinc/58/51/88/411585188.db2.gz ZWPIBLHPZCOPSE-MNOVXSKESA-N 0 3 221.304 0.813 20 0 BCADHN CCN1CC[C@@H](N2C[C@@H](O)C(C)(C)C2)C1=O ZINC000660445362 411585564 /nfs/dbraw/zinc/58/55/64/411585564.db2.gz YDWYIYFTRPJUFN-NXEZZACHSA-N 0 3 226.320 0.310 20 0 BCADHN CC1=CCCN(CCN2C(=O)CN(C)C2=O)C1 ZINC000660462592 411588989 /nfs/dbraw/zinc/58/89/89/411588989.db2.gz PVOWZSNYCWRVPA-UHFFFAOYSA-N 0 3 237.303 0.532 20 0 BCADHN CN(CCCO)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000660479268 411591145 /nfs/dbraw/zinc/59/11/45/411591145.db2.gz ZCBKFYYOMRVIKC-GRYCIOLGSA-N 0 3 240.347 0.748 20 0 BCADHN CN(CCCO)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000660479274 411591415 /nfs/dbraw/zinc/59/14/15/411591415.db2.gz ZCBKFYYOMRVIKC-SDDRHHMPSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCCO[C@@H]1CC1(F)F ZINC000660477582 411591418 /nfs/dbraw/zinc/59/14/18/411591418.db2.gz KMUNPRGDFCBIPX-HLTSFMKQSA-N 0 3 248.273 0.525 20 0 BCADHN CCN1CC[C@@H](N(C)CCCCOC)C1=O ZINC000660826733 411645875 /nfs/dbraw/zinc/64/58/75/411645875.db2.gz SLLSUIBSKQOYTG-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCN1CCN(C[C@@H](COC)OC)[C@H](C)C1 ZINC000660535304 411596281 /nfs/dbraw/zinc/59/62/81/411596281.db2.gz ILAIODXCVPXAPS-NEPJUHHUSA-N 0 3 230.352 0.674 20 0 BCADHN CCN1CCN(Cc2cn(C)cn2)[C@@H](C)C1 ZINC000660534574 411596351 /nfs/dbraw/zinc/59/63/51/411596351.db2.gz GMSOOPIWURPCSG-NSHDSACASA-N 0 3 222.336 0.946 20 0 BCADHN C[C@@H]1CN(CCN(C)C2(CO)CC2)C[C@H](C)O1 ZINC000660543960 411597766 /nfs/dbraw/zinc/59/77/66/411597766.db2.gz POQJQXBQKOFVKA-TXEJJXNPSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H]1CN(CCN(C)C2(CO)CC2)C[C@@H](C)O1 ZINC000660543961 411597826 /nfs/dbraw/zinc/59/78/26/411597826.db2.gz POQJQXBQKOFVKA-VXGBXAGGSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@H]1CN(CCN(C)C2(CO)CC2)C[C@H](C)O1 ZINC000660543959 411597850 /nfs/dbraw/zinc/59/78/50/411597850.db2.gz POQJQXBQKOFVKA-RYUDHWBXSA-N 0 3 242.363 0.552 20 0 BCADHN COC[C@H](CN(C)C1(CO)CC1)OC ZINC000660544999 411598035 /nfs/dbraw/zinc/59/80/35/411598035.db2.gz XRQSKENOWAREID-VIFPVBQESA-N 0 3 203.282 0.105 20 0 BCADHN CCOC[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000119860642 170456560 /nfs/dbraw/zinc/45/65/60/170456560.db2.gz UVEPZFIOMZPGPH-QWRGUYRKSA-N 0 3 228.336 0.855 20 0 BCADHN O[C@H]1C[C@H](NCc2cnn3c2CCC3)C1 ZINC000657808564 411601294 /nfs/dbraw/zinc/60/12/94/411601294.db2.gz LGXASXCIUGUKCK-MGCOHNPYSA-N 0 3 207.277 0.442 20 0 BCADHN O[C@H]1C[C@H](NCc2cnnn2-c2ccccc2)C1 ZINC000657809004 411601428 /nfs/dbraw/zinc/60/14/28/411601428.db2.gz RRTKKINZCKRFEF-MJHDQNEOSA-N 0 3 244.298 0.880 20 0 BCADHN Cc1nn(C)c2ncc(CN[C@H]3C[C@H](O)C3)cc12 ZINC000657810272 411602190 /nfs/dbraw/zinc/60/21/90/411602190.db2.gz YPEWRDPSOPMJMO-XYPYZODXSA-N 0 3 246.314 0.890 20 0 BCADHN O[C@H]1C[C@H](NCc2ccccc2-n2cncn2)C1 ZINC000657810235 411602281 /nfs/dbraw/zinc/60/22/81/411602281.db2.gz WWHLPHVXYSMNBF-HAQNSBGRSA-N 0 3 244.298 0.880 20 0 BCADHN O[C@H]1C[C@H](NCc2cccc3nccn32)C1 ZINC000657809680 411602557 /nfs/dbraw/zinc/60/25/57/411602557.db2.gz NVXYWRKPHNHLGI-HOMQSWHASA-N 0 3 217.272 0.947 20 0 BCADHN C[C@@H](CN[C@H]1C[C@@H](C)O[C@H]1C)S(C)(=O)=O ZINC000657814248 411604086 /nfs/dbraw/zinc/60/40/86/411604086.db2.gz BEHNWWQOGPNKKA-KATARQTJSA-N 0 3 235.349 0.575 20 0 BCADHN Cc1nc(CN2C[C@H](O)[C@@H](N(C)C)C2)co1 ZINC000660589576 411604702 /nfs/dbraw/zinc/60/47/02/411604702.db2.gz HRNLRMRZMOGALH-QWRGUYRKSA-N 0 3 225.292 0.090 20 0 BCADHN COc1cc(CN2CC[C@H]3CN(C)C[C@H]32)on1 ZINC000660612269 411607498 /nfs/dbraw/zinc/60/74/98/411607498.db2.gz ZOUVFSWJURTFGY-GXSJLCMTSA-N 0 3 237.303 0.819 20 0 BCADHN OCCOCCN[C@@H]1CCCn2nccc21 ZINC000657826030 411608386 /nfs/dbraw/zinc/60/83/86/411608386.db2.gz QBMAEWNBIQCZGO-SNVBAGLBSA-N 0 3 225.292 0.317 20 0 BCADHN CCCN(CC(N)=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000660618504 411608467 /nfs/dbraw/zinc/60/84/67/411608467.db2.gz RUKUFIWPUSVXJM-WDEREUQCSA-N 0 3 244.335 0.235 20 0 BCADHN COC[C@H](CN(C)[C@H]1CCC(=O)N(C)C1)OC ZINC000660623681 411608772 /nfs/dbraw/zinc/60/87/72/411608772.db2.gz PZVLLBBXKWJYPW-QWRGUYRKSA-N 0 3 244.335 0.200 20 0 BCADHN COC[C@@H](C(N)=O)N(C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660637201 411610424 /nfs/dbraw/zinc/61/04/24/411610424.db2.gz ZXKZFQNINIODJR-WYUUTHIRSA-N 0 3 240.347 0.855 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@@H](COC)OC ZINC000660643615 411611352 /nfs/dbraw/zinc/61/13/52/411611352.db2.gz AULCOLIGCIHOJX-NEPJUHHUSA-N 0 3 230.352 0.674 20 0 BCADHN C[C@H]1CN(CCN2C(=O)CN(C)C2=O)[C@H]1C ZINC000660639777 411611366 /nfs/dbraw/zinc/61/13/66/411611366.db2.gz KWINEDYLGRBJLA-IUCAKERBSA-N 0 3 225.292 0.221 20 0 BCADHN CO[C@@H](CN(C)C(C)(C)C(N)=O)C1CCC1 ZINC000660647058 411611640 /nfs/dbraw/zinc/61/16/40/411611640.db2.gz ATPWOWKIVAIWHR-JTQLQIEISA-N 0 3 228.336 0.997 20 0 BCADHN CCN1CC[C@H](N2CCC[C@@H](O)CC2)C1=O ZINC000660647177 411612050 /nfs/dbraw/zinc/61/20/50/411612050.db2.gz PEKNQGHWFXWAPI-MNOVXSKESA-N 0 3 226.320 0.454 20 0 BCADHN Cc1nccn1CCN(C)C(C)(C)C(N)=O ZINC000660648904 411612907 /nfs/dbraw/zinc/61/29/07/411612907.db2.gz YZHMHEBYHCVWCG-UHFFFAOYSA-N 0 3 224.308 0.387 20 0 BCADHN CS(=O)(=O)CCCN[C@@H]1COC2(CCC2)C1 ZINC000657869704 411614071 /nfs/dbraw/zinc/61/40/71/411614071.db2.gz KQXPTYYVFIMOML-JTQLQIEISA-N 0 3 247.360 0.722 20 0 BCADHN CC1(C)C[C@@H](N2CCOC[C@H](O)C2)CO1 ZINC000660668863 411615939 /nfs/dbraw/zinc/61/59/39/411615939.db2.gz LBXZSCBQPAMSFQ-NXEZZACHSA-N 0 3 215.293 0.247 20 0 BCADHN CCN1CC[C@H](N[C@H]2CCOC2(C)C)C1=O ZINC000660668350 411616150 /nfs/dbraw/zinc/61/61/50/411616150.db2.gz FFOWXINJCRBAJB-UWVGGRQHSA-N 0 3 226.320 0.764 20 0 BCADHN CO[C@H](CN1CCOC[C@@H](O)C1)C1CCCC1 ZINC000660669785 411616300 /nfs/dbraw/zinc/61/63/00/411616300.db2.gz QQIKFFPEPMJXCS-QWHCGFSZSA-N 0 3 243.347 0.885 20 0 BCADHN O=C(CNC1(CCO)CCCC1)N1CCCC1 ZINC000660680579 411617225 /nfs/dbraw/zinc/61/72/25/411617225.db2.gz OZMZWYVJEDPSCK-UHFFFAOYSA-N 0 3 240.347 0.894 20 0 BCADHN O[C@@]1(CN2CC[C@@H](F)C2)CCCOC1 ZINC000660692069 411617884 /nfs/dbraw/zinc/61/78/84/411617884.db2.gz LZQARZYZQIJGHT-NXEZZACHSA-N 0 3 203.257 0.572 20 0 BCADHN COCCN1CCCN(c2cnccn2)CC1 ZINC000663391247 411646463 /nfs/dbraw/zinc/64/64/63/411646463.db2.gz REWUUQCOUONINM-UHFFFAOYSA-N 0 3 236.319 0.635 20 0 BCADHN CO[C@H](CNC(CO)CO)C1CCCC1 ZINC000660695409 411618280 /nfs/dbraw/zinc/61/82/80/411618280.db2.gz GXMPLHRRFLXXJC-LLVKDONJSA-N 0 3 217.309 0.134 20 0 BCADHN C[C@@H]1[C@H](O)CCN1CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000660738182 411620305 /nfs/dbraw/zinc/62/03/05/411620305.db2.gz PYOVNPXBTPNIGU-YVECIDJPSA-N 0 3 242.363 0.551 20 0 BCADHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)C(=O)N(C)C ZINC000362021473 170481639 /nfs/dbraw/zinc/48/16/39/170481639.db2.gz 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246.261 1.085 20 0 BCADHN CCN[C@H](C)C(=O)Nc1cc(CC)[nH]n1 ZINC000639013603 411650637 /nfs/dbraw/zinc/65/06/37/411650637.db2.gz PQAMYGLXXRLJNL-SSDOTTSWSA-N 0 3 210.281 0.909 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1CCC[C@@H]1O)N(C)C ZINC000133193349 411651167 /nfs/dbraw/zinc/65/11/67/411651167.db2.gz MPMWSTNRMOOZND-GARJFASQSA-N 0 3 228.336 0.602 20 0 BCADHN CCO[C@H]1C[C@@H](N[C@@H]2COC[C@H]2O)C12CCC2 ZINC000323607304 170508046 /nfs/dbraw/zinc/50/80/46/170508046.db2.gz AMFMGSOMBLHULR-KKOKHZNYSA-N 0 3 241.331 0.683 20 0 BCADHN CCO[C@H]1C[C@@H]1C(=O)NCCN(C)CCOC ZINC000339248366 170508657 /nfs/dbraw/zinc/50/86/57/170508657.db2.gz JLNQJNABLWUWNE-QWRGUYRKSA-N 0 3 244.335 0.106 20 0 BCADHN CN(CCNc1ncnc2c1nnn2C)C1CC1 ZINC000663425594 411656976 /nfs/dbraw/zinc/65/69/76/411656976.db2.gz ZBOUQEBXYQXNKV-UHFFFAOYSA-N 0 3 247.306 0.264 20 0 BCADHN c1nnc2ccc(N[C@@H]3CCN(C4CC4)C3)nn12 ZINC000663428376 411658152 /nfs/dbraw/zinc/65/81/52/411658152.db2.gz JUCYPRKRMVWULO-SECBINFHSA-N 0 3 244.302 0.773 20 0 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CCC1(C(=O)N2CCOC3(CNC3)C2)CCC1 ZINC000663487925 411669289 /nfs/dbraw/zinc/66/92/89/411669289.db2.gz PHBDDOYHQIQFHD-UHFFFAOYSA-N 0 3 238.331 0.768 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cc(C)n(C(C)C)n1 ZINC000565945704 411669606 /nfs/dbraw/zinc/66/96/06/411669606.db2.gz SJVBIKHBYJLTIQ-VIFPVBQESA-N 0 3 240.307 0.685 20 0 BCADHN CC[C@H](C)CC(=O)N1CCOC2(CNC2)C1 ZINC000663492245 411670823 /nfs/dbraw/zinc/67/08/23/411670823.db2.gz QGOLGIHPBWVJDA-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN CCC(CC)CN[C@]1(C(N)=O)CCOC1 ZINC000660926690 411676526 /nfs/dbraw/zinc/67/65/26/411676526.db2.gz QRZAIAXKYDWMTI-LLVKDONJSA-N 0 3 214.309 0.657 20 0 BCADHN NC(=O)[C@]1(NC[C@@H]2C[C@H]3C[C@H]3C2)CCOC1 ZINC000660926887 411677313 /nfs/dbraw/zinc/67/73/13/411677313.db2.gz SRWSJMQCKGTSJY-WYFGTUCQSA-N 0 3 224.304 0.267 20 0 BCADHN NC(=O)[C@@]1(NCC2CC=CC2)CCOC1 ZINC000660926974 411677358 /nfs/dbraw/zinc/67/73/58/411677358.db2.gz VDDIJDKNYBCBMU-LLVKDONJSA-N 0 3 210.277 0.187 20 0 BCADHN NC(=O)[C@@]1(NCCC2CCC2)CCOC1 ZINC000660926756 411677384 /nfs/dbraw/zinc/67/73/84/411677384.db2.gz RRHGPGABJHDAIG-LLVKDONJSA-N 0 3 212.293 0.411 20 0 BCADHN NC(=O)[C@]1(NCCCC2CCC2)CCOC1 ZINC000660926388 411677588 /nfs/dbraw/zinc/67/75/88/411677588.db2.gz LZVMZMXCTKFVTG-LBPRGKRZSA-N 0 3 226.320 0.801 20 0 BCADHN CC(C)=CCCN[C@@]1(C(N)=O)CCOC1 ZINC000660926718 411678015 /nfs/dbraw/zinc/67/80/15/411678015.db2.gz RDWAWUHNEBUZGE-NSHDSACASA-N 0 3 212.293 0.577 20 0 BCADHN O[C@@H]1CCN(CCNc2nc3ccccn3n2)C1 ZINC000624679750 411695602 /nfs/dbraw/zinc/69/56/02/411695602.db2.gz MOPQCGVTLTWJBT-SNVBAGLBSA-N 0 3 247.302 0.208 20 0 BCADHN O[C@@H]1CCN(CCNc2ncnc3[nH]ccc32)C1 ZINC000624680780 411695952 /nfs/dbraw/zinc/69/59/52/411695952.db2.gz ZQPSGTQFRGPAEU-SECBINFHSA-N 0 3 247.302 0.436 20 0 BCADHN c1cnc(NC[C@@H]2CSCCN2)cn1 ZINC000641686787 411700713 /nfs/dbraw/zinc/70/07/13/411700713.db2.gz ADWVOKGLMNKJIC-MRVPVSSYSA-N 0 3 210.306 0.594 20 0 BCADHN CN(CC[C@H]1CCNC1=O)Cc1cnc[nH]1 ZINC000661089929 411701589 /nfs/dbraw/zinc/70/15/89/411701589.db2.gz JSVYLRDNOPBACZ-SECBINFHSA-N 0 3 222.292 0.368 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cc(C)n(C(C)C)n1 ZINC000567828476 411728859 /nfs/dbraw/zinc/72/88/59/411728859.db2.gz RSKOXABLNKAYHC-SECBINFHSA-N 0 3 224.308 1.448 20 0 BCADHN COc1ccc2c(c1)[nH]nc2NC(=O)C(C)(C)N ZINC000423761408 411731112 /nfs/dbraw/zinc/73/11/12/411731112.db2.gz RQSMKZUBTIXKDQ-UHFFFAOYSA-N 0 3 248.286 1.247 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccn([C@H](C)COC)n1 ZINC000563096601 411751431 /nfs/dbraw/zinc/75/14/31/411751431.db2.gz CCVLQDJFEFOODW-BDAKNGLRSA-N 0 3 240.307 0.766 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@]1(C)CCCO1 ZINC000162305130 170610625 /nfs/dbraw/zinc/61/06/25/170610625.db2.gz KTRPLCRLPHHEIL-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN CO[C@]1(CO)CCCN(Cc2cnc[nH]2)C1 ZINC000661391492 411767346 /nfs/dbraw/zinc/76/73/46/411767346.db2.gz GHPRHIWMKADWOR-LLVKDONJSA-N 0 3 225.292 0.383 20 0 BCADHN Cc1ccc(CN2CC[C@H](NC(=O)CN)C2)cc1 ZINC000145153327 487620571 /nfs/dbraw/zinc/62/05/71/487620571.db2.gz CNQYBPIDIMJYFY-ZDUSSCGKSA-N 0 3 247.342 0.644 20 0 BCADHN CCc1nc(C)cc(N[C@@H](CO)CN(C)C)n1 ZINC000663910665 411771516 /nfs/dbraw/zinc/77/15/16/411771516.db2.gz LQINXGAQLLMICG-SNVBAGLBSA-N 0 3 238.335 0.682 20 0 BCADHN CN(C)C[C@H](CO)Nc1nc(C2CC2)ns1 ZINC000663910739 411771733 /nfs/dbraw/zinc/77/17/33/411771733.db2.gz MXMPYINCXKASSU-MRVPVSSYSA-N 0 3 242.348 0.750 20 0 BCADHN C[C@@H](CN(C)C)Nc1ncnc2c1nnn2C ZINC000663911324 411773127 /nfs/dbraw/zinc/77/31/27/411773127.db2.gz CXPCQZDXWITKJB-ZETCQYMHSA-N 0 3 235.295 0.120 20 0 BCADHN COc1nc(C)cc(N[C@H](CO)CN(C)C)n1 ZINC000663911103 411773197 /nfs/dbraw/zinc/77/31/97/411773197.db2.gz XMDGIUFMQCXOGE-VIFPVBQESA-N 0 3 240.307 0.128 20 0 BCADHN C[C@@H](CO)[C@@H]1CCCCN1CC(=O)N(C)C ZINC000661436638 411774976 /nfs/dbraw/zinc/77/49/76/411774976.db2.gz VUFCQTRLKKEWEP-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN Cc1nc(N[C@H](C)CO)cc(N[C@H](C)CO)n1 ZINC000539106287 411775913 /nfs/dbraw/zinc/77/59/13/411775913.db2.gz UKLSHHIOHIZCMA-HTQZYQBOSA-N 0 3 240.307 0.370 20 0 BCADHN C[C@@H]1OCC[C@]1(C)NCC(=O)Nc1ccon1 ZINC000683147631 487620595 /nfs/dbraw/zinc/62/05/95/487620595.db2.gz ZQHHPJFQDOWJQD-KWQFWETISA-N 0 3 239.275 0.770 20 0 BCADHN Cc1nccc(N[C@@H](C)C2N=NC(=O)N2C)n1 ZINC000631336159 411786213 /nfs/dbraw/zinc/78/62/13/411786213.db2.gz NOTABDNFWWAYIW-LURJTMIESA-N 0 3 234.263 0.792 20 0 BCADHN CCOc1nccnc1NC1CCN(C)CC1 ZINC000573873987 411720957 /nfs/dbraw/zinc/72/09/57/411720957.db2.gz ZMMDFZCFUYUQEU-UHFFFAOYSA-N 0 3 236.319 1.381 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000072782071 411721602 /nfs/dbraw/zinc/72/16/02/411721602.db2.gz VCFNXZINDCPQPI-RYUDHWBXSA-N 0 3 239.363 0.396 20 0 BCADHN CCCCNC(=O)CN[C@@H](CO)C1CCC1 ZINC000661159690 411724647 /nfs/dbraw/zinc/72/46/47/411724647.db2.gz WSDZVTPGDAHMBP-NSHDSACASA-N 0 3 228.336 0.653 20 0 BCADHN Cc1cn(C)nc1NC(=O)[C@H](N)CCC(C)C ZINC000638433030 411726401 /nfs/dbraw/zinc/72/64/01/411726401.db2.gz PYLLUPZLMSOVAQ-SNVBAGLBSA-N 0 3 238.335 1.431 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccn([C@@H](C)COC)n1 ZINC000563808995 411728407 /nfs/dbraw/zinc/72/84/07/411728407.db2.gz CCVLQDJFEFOODW-DTWKUNHWSA-N 0 3 240.307 0.766 20 0 BCADHN Cc1nnc(NCCN2CCC[C@H](C)C2)o1 ZINC000336776230 411796938 /nfs/dbraw/zinc/79/69/38/411796938.db2.gz FEMQFAVMZKZIRZ-VIFPVBQESA-N 0 3 224.308 1.522 20 0 BCADHN Cc1nnc(NC[C@H]2CSCCN2)nc1C ZINC000641688011 411801710 /nfs/dbraw/zinc/80/17/10/411801710.db2.gz VHIFHQUNUDYFMY-VIFPVBQESA-N 0 3 239.348 0.605 20 0 BCADHN CN(CCCC(=O)N(C)C)C[C@@H]1COCCO1 ZINC000661610765 411815519 /nfs/dbraw/zinc/81/55/19/411815519.db2.gz GILAMKDOHXQJLW-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN CC(C)[C@@H](O)CN(C)C[C@H]1COCCO1 ZINC000661613351 411816498 /nfs/dbraw/zinc/81/64/98/411816498.db2.gz XXUHGFXGKLWPTF-QWRGUYRKSA-N 0 3 217.309 0.351 20 0 BCADHN CN(C[C@H]1COCCO1)[C@@H]1CCCOC1 ZINC000661614266 411818158 /nfs/dbraw/zinc/81/81/58/411818158.db2.gz WUTYRPNIKUTFPW-MNOVXSKESA-N 0 3 215.293 0.513 20 0 BCADHN CC[C@H](CN(C)C[C@@H]1COCCO1)OC ZINC000661615131 411818531 /nfs/dbraw/zinc/81/85/31/411818531.db2.gz WULMDDOWXYIOST-GHMZBOCLSA-N 0 3 217.309 0.759 20 0 BCADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@H](C)[C@H]1O ZINC000661621481 411819872 /nfs/dbraw/zinc/81/98/72/411819872.db2.gz NDIHCNZCYAEVLY-JZYVYDRUSA-N 0 3 214.309 0.023 20 0 BCADHN Clc1cncnc1NC[C@H]1CSCCN1 ZINC000641687149 411827641 /nfs/dbraw/zinc/82/76/41/411827641.db2.gz IUKPLPVMJFQVNC-ZETCQYMHSA-N 0 3 244.751 1.247 20 0 BCADHN O=C(CN1CCC[C@](O)(C2CC2)C1)NC1CC1 ZINC000661636899 411829145 /nfs/dbraw/zinc/82/91/45/411829145.db2.gz VNUAOVLVTFXULN-CYBMUJFWSA-N 0 3 238.331 0.502 20 0 BCADHN O=C(CN1CCC[C@@](O)(C2CC2)C1)NC1CC1 ZINC000661636903 411829259 /nfs/dbraw/zinc/82/92/59/411829259.db2.gz VNUAOVLVTFXULN-ZDUSSCGKSA-N 0 3 238.331 0.502 20 0 BCADHN Cn1ccc(=O)n1CCN1CCCCC1 ZINC000664050472 411829849 /nfs/dbraw/zinc/82/98/49/411829849.db2.gz AUYHPHRZAWAHFL-UHFFFAOYSA-N 0 3 209.293 0.673 20 0 BCADHN CN(CC1=CCCOC1)C[C@@H]1COCCO1 ZINC000661654083 411831626 /nfs/dbraw/zinc/83/16/26/411831626.db2.gz WFNVRTDEUDSNER-GFCCVEGCSA-N 0 3 227.304 0.680 20 0 BCADHN C[C@]12COC[C@H]1CN(Cc1c[nH]nn1)C2 ZINC000661704157 411836286 /nfs/dbraw/zinc/83/62/86/411836286.db2.gz OPOAUHFWRVCZEO-SCZZXKLOSA-N 0 3 208.265 0.273 20 0 BCADHN C[C@]12COC[C@@H]1CN(Cc1c[nH]nn1)C2 ZINC000661704159 411836613 /nfs/dbraw/zinc/83/66/13/411836613.db2.gz OPOAUHFWRVCZEO-WPRPVWTQSA-N 0 3 208.265 0.273 20 0 BCADHN CO[C@@H](C)CNC(=O)N(C)C[C@H]1CCCN1C ZINC000661688903 411839632 /nfs/dbraw/zinc/83/96/32/411839632.db2.gz XZODWGMGRLYGCH-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN CCN(C)CCNC(=O)c1cnc(C)nc1N ZINC000533195788 411842164 /nfs/dbraw/zinc/84/21/64/411842164.db2.gz IRJJFUBMNRZYMG-UHFFFAOYSA-N 0 3 237.307 0.049 20 0 BCADHN Cn1nccc1CN1C[C@H]2COC[C@@]2(C)C1 ZINC000661697396 411843471 /nfs/dbraw/zinc/84/34/71/411843471.db2.gz BXUYFTQWDCKAIY-CMPLNLGQSA-N 0 3 221.304 0.888 20 0 BCADHN C[C@@]12COC[C@H]1CN(CC(=O)NC1CC1)C2 ZINC000661700690 411845571 /nfs/dbraw/zinc/84/55/71/411845571.db2.gz YDYSOFZTJFVFKV-BXKDBHETSA-N 0 3 224.304 0.233 20 0 BCADHN Cn1cc(CN2C[C@H]3COC[C@@]3(C)C2)cn1 ZINC000661700905 411845933 /nfs/dbraw/zinc/84/59/33/411845933.db2.gz DSFGMXMSGMPJIT-NWDGAFQWSA-N 0 3 221.304 0.888 20 0 BCADHN CCNC(=O)CN1C[C@H]2COC[C@@]2(C)C1 ZINC000661699448 411846414 /nfs/dbraw/zinc/84/64/14/411846414.db2.gz VNFNUSPVKKNLJX-GXSJLCMTSA-N 0 3 212.293 0.091 20 0 BCADHN C[C@]12COC[C@@H]1CN(CC(=O)N1CCC1)C2 ZINC000661703512 411848117 /nfs/dbraw/zinc/84/81/17/411848117.db2.gz UGMNJRMVOIUHBH-JQWIXIFHSA-N 0 3 224.304 0.187 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)N ZINC000236884328 170746119 /nfs/dbraw/zinc/74/61/19/170746119.db2.gz JGALBMTVKUZOBL-SFYZADRCSA-N 0 3 229.324 0.143 20 0 BCADHN CCN(CC)C(=O)CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000661701345 411848564 /nfs/dbraw/zinc/84/85/64/411848564.db2.gz ZPSRDRQUJMHJKJ-DGCLKSJQSA-N 0 3 240.347 0.823 20 0 BCADHN CC(C)COC[C@@H](O)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000661713566 411853900 /nfs/dbraw/zinc/85/39/00/411853900.db2.gz QIZLTKHMCOXXIF-RWMBFGLXSA-N 0 3 243.347 0.477 20 0 BCADHN CCN1C[C@@H](C)N(Cc2nccc(N)n2)C[C@@H]1C ZINC000346173768 411857343 /nfs/dbraw/zinc/85/73/43/411857343.db2.gz UMSSSHZMTBAWPZ-WDEREUQCSA-N 0 3 249.362 0.973 20 0 BCADHN C[C@@H](CN1CCOCC1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000661722849 411858682 /nfs/dbraw/zinc/85/86/82/411858682.db2.gz MRVMCSSDKCDUTR-RWMBFGLXSA-N 0 3 240.347 0.164 20 0 BCADHN CCN1CCC(NC(=O)c2ccc(N)nc2)CC1 ZINC000387378584 411858926 /nfs/dbraw/zinc/85/89/26/411858926.db2.gz NBBAMBIZTHBRHQ-UHFFFAOYSA-N 0 3 248.330 0.878 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NCc1ccnc(N)c1 ZINC000578784195 411889975 /nfs/dbraw/zinc/88/99/75/411889975.db2.gz DCKAEUGFDPYLJO-NXEZZACHSA-N 0 3 221.304 0.913 20 0 BCADHN CNC(=O)CCCN(C)Cc1cnc(N)s1 ZINC000336672908 411890487 /nfs/dbraw/zinc/89/04/87/411890487.db2.gz OFWSLLLHFZHGJG-UHFFFAOYSA-N 0 3 242.348 0.683 20 0 BCADHN C[C@@H](O)CCN1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639821579 411891293 /nfs/dbraw/zinc/89/12/93/411891293.db2.gz WIXJHWZIHXSGHV-RKDXNWHRSA-N 0 3 240.307 0.602 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N(CCOC)CCOC ZINC000036200119 170778187 /nfs/dbraw/zinc/77/81/87/170778187.db2.gz WNISUKKMSFCYQX-GHMZBOCLSA-N 0 3 246.351 0.481 20 0 BCADHN CN(C(=O)CN[C@@H]1C[C@@H](O)C12CCC2)C1CC1 ZINC000661830426 411896073 /nfs/dbraw/zinc/89/60/73/411896073.db2.gz HVLCQHUDSGJKCD-GHMZBOCLSA-N 0 3 238.331 0.500 20 0 BCADHN C[C@@H](c1nccc(N)n1)N(C)C[C@@H]1CCCN1C ZINC000576477357 411902211 /nfs/dbraw/zinc/90/22/11/411902211.db2.gz VNLFONYQQUNLHJ-QWRGUYRKSA-N 0 3 249.362 1.146 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2ncnn2C)CN1C1CC1 ZINC000664259711 411902217 /nfs/dbraw/zinc/90/22/17/411902217.db2.gz FJGNPHGKJITJPR-IUCAKERBSA-N 0 3 249.318 0.170 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCc2nnc(N)cc2C1 ZINC000393810498 411911677 /nfs/dbraw/zinc/91/16/77/411911677.db2.gz UNXHQXDTHQPULX-BDAKNGLRSA-N 0 3 218.304 1.073 20 0 BCADHN C[C@@H](c1ccccn1)N1CCC(CO)(CO)C1 ZINC000661949747 411918336 /nfs/dbraw/zinc/91/83/36/411918336.db2.gz XAHBCRUBSCINCO-NSHDSACASA-N 0 3 236.315 0.819 20 0 BCADHN OCC1(CO)CCN(Cc2cccs2)C1 ZINC000661947036 411918838 /nfs/dbraw/zinc/91/88/38/411918838.db2.gz FALJGZLVDZLARP-UHFFFAOYSA-N 0 3 227.329 0.925 20 0 BCADHN CN(CC1CN(C)C1)c1nc2n[nH]cc2c(=O)[nH]1 ZINC000664329825 411922572 /nfs/dbraw/zinc/92/25/72/411922572.db2.gz DQYZCUYNUGTYGO-UHFFFAOYSA-N 0 3 248.290 0.056 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccc(N)nc2)[C@H]1C ZINC000638203605 411931506 /nfs/dbraw/zinc/93/15/06/411931506.db2.gz ABEXECMMPSKCNQ-BDAKNGLRSA-N 0 3 234.303 0.486 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccc(N)nc2)[C@@H]1C ZINC000638203611 411932088 /nfs/dbraw/zinc/93/20/88/411932088.db2.gz ABEXECMMPSKCNQ-RKDXNWHRSA-N 0 3 234.303 0.486 20 0 BCADHN Nc1nccc([C@H]2CCCN(CCCO)C2)n1 ZINC000368482576 411935173 /nfs/dbraw/zinc/93/51/73/411935173.db2.gz KYUAKURXPZZDAR-JTQLQIEISA-N 0 3 236.319 0.621 20 0 BCADHN Nc1cc(CN2CC[C@H](c3nnc[nH]3)C2)ccn1 ZINC000644954291 411940646 /nfs/dbraw/zinc/94/06/46/411940646.db2.gz ZYWMHWKGOXNLTI-JTQLQIEISA-N 0 3 244.302 0.771 20 0 BCADHN C[C@H](CO)CN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662011166 411940838 /nfs/dbraw/zinc/94/08/38/411940838.db2.gz JNKAYRBNDIVAEA-QWRGUYRKSA-N 0 3 243.351 0.303 20 0 BCADHN CC(C)NCC(=O)N[C@@H](C)c1nccc(N)n1 ZINC000638855687 411871822 /nfs/dbraw/zinc/87/18/22/411871822.db2.gz HNBURSZJOYKKFN-QMMMGPOBSA-N 0 3 237.307 0.234 20 0 BCADHN CSCC[C@H](N)C(=O)Nc1ccc(N)nc1 ZINC000563143462 411872943 /nfs/dbraw/zinc/87/29/43/411872943.db2.gz VLFQZJLIXIKCKZ-QMMMGPOBSA-N 0 3 240.332 0.683 20 0 BCADHN CN(CCc1cnccn1)Cc1ccc(N)nc1 ZINC000647538328 411874496 /nfs/dbraw/zinc/87/44/96/411874496.db2.gz NHMJETOXZSDQSN-UHFFFAOYSA-N 0 3 243.314 1.128 20 0 BCADHN CC(C)NC(=O)NCCN1CCC[C@@H]1[C@H](C)O ZINC000661764822 411875567 /nfs/dbraw/zinc/87/55/67/411875567.db2.gz BBXSCRZFYUQMLN-WDEREUQCSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@@H](CO)CN1CCC[C@H](c2nnc(N)o2)C1 ZINC000639821841 411879960 /nfs/dbraw/zinc/87/99/60/411879960.db2.gz KVAWJCPTUDZQFH-BDAKNGLRSA-N 0 3 240.307 0.460 20 0 BCADHN CCn1nnc(C)c1CN1CCC[C@@H]1[C@@H](C)O ZINC000661768704 411881672 /nfs/dbraw/zinc/88/16/72/411881672.db2.gz ZXXMDNROWQZHGW-GHMZBOCLSA-N 0 3 238.335 0.952 20 0 BCADHN CN1CCN(CCC[C@H]2CCOC2)CCC1=O ZINC000661804781 411882791 /nfs/dbraw/zinc/88/27/91/411882791.db2.gz NCJYRTPAXZMRFI-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN O[C@H](CN[C@H]1C[C@@H](O)C12CCC2)C(F)(F)F ZINC000661831524 411884703 /nfs/dbraw/zinc/88/47/03/411884703.db2.gz PIXMXBNPXOFPOV-XLPZGREQSA-N 0 3 239.237 0.803 20 0 BCADHN CC(C)CC1(NCC(=O)N2CCNC2=O)CC1 ZINC000662068862 411970233 /nfs/dbraw/zinc/97/02/33/411970233.db2.gz BMUIWKNPPNGNFG-UHFFFAOYSA-N 0 3 239.319 0.707 20 0 BCADHN CN(C)C1(CNC(=O)Nc2ccncc2)CC1 ZINC000669395865 487621219 /nfs/dbraw/zinc/62/12/19/487621219.db2.gz REIWVWXGTOBRFV-UHFFFAOYSA-N 0 3 234.303 0.719 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC2(COC2)C1 ZINC000662081257 411979694 /nfs/dbraw/zinc/97/96/94/411979694.db2.gz WQIADPGFUUOBKA-SECBINFHSA-N 0 3 212.293 0.185 20 0 BCADHN Cc1ncc(CNC(=O)/C=C/CN(C)C)c(N)n1 ZINC000493452195 411984862 /nfs/dbraw/zinc/98/48/62/411984862.db2.gz KMFXHVIVXVIADI-SNAWJCMRSA-N 0 3 249.318 0.101 20 0 BCADHN CCN(C)C(=O)CN1C[C@@H](C)[C@](C)(CO)C1 ZINC000662132800 411998265 /nfs/dbraw/zinc/99/82/65/411998265.db2.gz BLJUBWGQOWCXMQ-PWSUYJOCSA-N 0 3 228.336 0.415 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662136949 411998779 /nfs/dbraw/zinc/99/87/79/411998779.db2.gz WDRFKIOLFRGQPS-FXPVBKGRSA-N 0 3 214.309 0.201 20 0 BCADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@@]1(C)CO ZINC000662138835 411998803 /nfs/dbraw/zinc/99/88/03/411998803.db2.gz RKEKBCWYPRWNHQ-KOLCDFICSA-N 0 3 214.309 0.025 20 0 BCADHN C[C@H]1CN(CC(=O)N(C)C)C[C@]1(C)CO ZINC000662138833 411999550 /nfs/dbraw/zinc/99/95/50/411999550.db2.gz RKEKBCWYPRWNHQ-GXSJLCMTSA-N 0 3 214.309 0.025 20 0 BCADHN C[C@H]1CN(CC(=O)NC(C)(C)C)C[C@@]1(C)CO ZINC000662136181 411999560 /nfs/dbraw/zinc/99/95/60/411999560.db2.gz OKCGSXYZISMLPJ-GWCFXTLKSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@H]1CN(CCn2cncn2)C[C@@]1(C)CO ZINC000662136971 412000173 /nfs/dbraw/zinc/00/01/73/412000173.db2.gz WIFULUUCIAWPFO-QWRGUYRKSA-N 0 3 224.308 0.228 20 0 BCADHN C[C@H]1CN(CCn2cncn2)C[C@]1(C)CO ZINC000662136972 412000293 /nfs/dbraw/zinc/00/02/93/412000293.db2.gz WIFULUUCIAWPFO-WDEREUQCSA-N 0 3 224.308 0.228 20 0 BCADHN C[C@@H]1CN(Cc2cncn2C)C[C@@]1(C)CO ZINC000662143058 412002911 /nfs/dbraw/zinc/00/29/11/412002911.db2.gz OZUMLHNPHHEPOK-PWSUYJOCSA-N 0 3 223.320 0.870 20 0 BCADHN Cc1cc(C(=O)N2CCOC3(CNC3)C2)c(C)[nH]1 ZINC000664723008 412014468 /nfs/dbraw/zinc/01/44/68/412014468.db2.gz BJGFHGFLJIOQFH-UHFFFAOYSA-N 0 3 249.314 0.446 20 0 BCADHN CN(C)C1(CNC(=O)NC/C=C\CO)CCC1 ZINC000664718717 412014827 /nfs/dbraw/zinc/01/48/27/412014827.db2.gz AOGOOVWTSNTFCE-ARJAWSKDSA-N 0 3 241.335 0.318 20 0 BCADHN Nc1ccc(CNC[C@@H]2CCCO2)cn1 ZINC000647550470 411954172 /nfs/dbraw/zinc/95/41/72/411954172.db2.gz RSLKAJVVUQOTFT-JTQLQIEISA-N 0 3 207.277 0.932 20 0 BCADHN CCCCNC(=O)CN1CC[C@@H]2COC[C@@H]2C1 ZINC000662039413 411954845 /nfs/dbraw/zinc/95/48/45/411954845.db2.gz DWNDQWTWIRFDBG-NEPJUHHUSA-N 0 3 240.347 0.871 20 0 BCADHN CN1CCC[C@H](N2CC[C@H]3COC[C@@H]3C2)C1=O ZINC000662039049 411956157 /nfs/dbraw/zinc/95/61/57/411956157.db2.gz XLIVGVDYYYMBGW-SRVKXCTJSA-N 0 3 238.331 0.576 20 0 BCADHN c1n[nH]nc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000662037970 411956637 /nfs/dbraw/zinc/95/66/37/411956637.db2.gz VEXGQMAICJQPLA-BDAKNGLRSA-N 0 3 208.265 0.273 20 0 BCADHN Cn1cc(CN2CC[C@@H]3COC[C@@H]3C2)cn1 ZINC000662040346 411958691 /nfs/dbraw/zinc/95/86/91/411958691.db2.gz XHWMUWIHCNCHMX-NEPJUHHUSA-N 0 3 221.304 0.888 20 0 BCADHN O=C(CN1CC[C@H]2COC[C@@H]2C1)NC1CC1 ZINC000662043617 411960814 /nfs/dbraw/zinc/96/08/14/411960814.db2.gz QNWSSFYXSBOOLU-UWVGGRQHSA-N 0 3 224.304 0.233 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC000664895899 412039878 /nfs/dbraw/zinc/03/98/78/412039878.db2.gz JWKTXAKCISKZDR-JBLDHEPKSA-N 0 3 241.335 0.103 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)C[C@H](C)O1 ZINC000662249426 412047119 /nfs/dbraw/zinc/04/71/19/412047119.db2.gz NKSROFQFLVWHMF-GRYCIOLGSA-N 0 3 240.347 0.617 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2CNCCO2)C[C@H](C)O1 ZINC000662255274 412051831 /nfs/dbraw/zinc/05/18/31/412051831.db2.gz XFTRTTOELHKVAW-TUAOUCFPSA-N 0 3 228.336 0.474 20 0 BCADHN CCN1CCN(C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662257195 412051931 /nfs/dbraw/zinc/05/19/31/412051931.db2.gz BJLJJPFUIKFVSB-LBPRGKRZSA-N 0 3 239.363 0.145 20 0 BCADHN CC1(C)CN(C[C@H]2CNCCO2)C(C)(C)CO1 ZINC000662256911 412052062 /nfs/dbraw/zinc/05/20/62/412052062.db2.gz ZHRIONCOEKBKNG-LLVKDONJSA-N 0 3 242.363 0.864 20 0 BCADHN CC[C@@H]1CCN(CCN2CCCS2(=O)=O)C1 ZINC000336689446 171013116 /nfs/dbraw/zinc/01/31/16/171013116.db2.gz ZDHIWJQQUBSJAE-LLVKDONJSA-N 0 3 246.376 0.754 20 0 BCADHN CC[C@@H]1CCN1C[C@H](O)Cn1cccn1 ZINC000292467992 171023718 /nfs/dbraw/zinc/02/37/18/171023718.db2.gz RAVVOGRWMXBTJV-MNOVXSKESA-N 0 3 209.293 0.728 20 0 BCADHN CC[C@@H]1CN(C(=O)CNC)C[C@H](C)O1 ZINC000236919595 171063616 /nfs/dbraw/zinc/06/36/16/171063616.db2.gz MKLHWDBTPWLTLY-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)CCO1 ZINC000309316803 171066809 /nfs/dbraw/zinc/06/68/09/171066809.db2.gz PKEQAZSCVBKOOV-SFYZADRCSA-N 0 3 236.262 0.606 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCO[C@H](CC)C1 ZINC000040487150 171067078 /nfs/dbraw/zinc/06/70/78/171067078.db2.gz OYWFTSUSJONIDI-MXWKQRLJSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H]2CCCCN2)CCO1 ZINC000037117242 171068975 /nfs/dbraw/zinc/06/89/75/171068975.db2.gz ZGTHPRZDIDKKAV-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](N)CCSC)CCO1 ZINC000152287916 171069897 /nfs/dbraw/zinc/06/98/97/171069897.db2.gz IUZYSLLMIRARBU-NXEZZACHSA-N 0 3 246.376 0.704 20 0 BCADHN CC[C@@H]1CN(CCN2CCO[C@H](C)C2)C[C@H]1O ZINC000337318923 171080742 /nfs/dbraw/zinc/08/07/42/171080742.db2.gz NHFPADUQNXUJBU-JHJVBQTASA-N 0 3 242.363 0.410 20 0 BCADHN CC[C@@H]1CN(CCO)C[C@]2(CCCOC2)O1 ZINC000369538270 171081700 /nfs/dbraw/zinc/08/17/00/171081700.db2.gz YQPFRVYNFSYQJY-NEPJUHHUSA-N 0 3 229.320 0.639 20 0 BCADHN CC[C@@H]1CN(CCN2CCCOCC2)C[C@@H]1O ZINC000361349196 171081990 /nfs/dbraw/zinc/08/19/90/171081990.db2.gz SIXWFGKDACGBHD-OLZOCXBDSA-N 0 3 242.363 0.411 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2COCCO2)CCCO1 ZINC000336680385 171086023 /nfs/dbraw/zinc/08/60/23/171086023.db2.gz QQTXJUXCOOBLQT-VXGBXAGGSA-N 0 3 229.320 0.903 20 0 BCADHN CC[C@@H]1CN(Cc2c(C)cnn2C)C[C@H]1O ZINC000289079596 171086272 /nfs/dbraw/zinc/08/62/72/171086272.db2.gz DBPGKGQEDVLHNQ-ZYHUDNBSSA-N 0 3 223.320 0.931 20 0 BCADHN CC[C@@H]1CN(Cc2c[nH]nc2C)C[C@H]1O ZINC000271335803 171088162 /nfs/dbraw/zinc/08/81/62/171088162.db2.gz NROUQUOTGQYUJK-MWLCHTKSSA-N 0 3 209.293 0.921 20 0 BCADHN CC[C@@H]1CN([C@H]2CCN(C3CC3)C2=O)C[C@H]1O ZINC000341030945 171097171 /nfs/dbraw/zinc/09/71/71/171097171.db2.gz LAHGVTDLCLFQCE-ADEWGFFLSA-N 0 3 238.331 0.452 20 0 BCADHN CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CN ZINC000375846329 171099158 /nfs/dbraw/zinc/09/91/58/171099158.db2.gz DSGMRNTWAAHYBD-GHMZBOCLSA-N 0 3 225.336 0.420 20 0 BCADHN CC[C@@H]1COCCN1C(=O)[C@H](C)NC ZINC000054072577 171103977 /nfs/dbraw/zinc/10/39/77/171103977.db2.gz ZDWHPPNLZPCMAW-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H](C)N ZINC000036135113 171108688 /nfs/dbraw/zinc/10/86/88/171108688.db2.gz QZTYWBBUVQPRQC-DJLDLDEBSA-N 0 3 200.282 0.360 20 0 BCADHN CC[C@@H]1CO[C@H](C)CN1C(=O)CNC1CC1 ZINC000037395053 171109402 /nfs/dbraw/zinc/10/94/02/171109402.db2.gz LXGMQOITFPLXND-MWLCHTKSSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](O)[C@H]1CCCN1C(=O)NC[C@H](C)N(C)C ZINC000665044786 412067118 /nfs/dbraw/zinc/06/71/18/412067118.db2.gz XNYRXXKIOUZHPN-GARJFASQSA-N 0 3 243.351 0.491 20 0 BCADHN CC1(CN2C[C@H](O)C[C@H]2C(N)=O)CCC1 ZINC000665047846 412068626 /nfs/dbraw/zinc/06/86/26/412068626.db2.gz URRGYLJECNHUIK-BDAKNGLRSA-N 0 3 212.293 0.097 20 0 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171370816 /nfs/dbraw/zinc/37/08/16/171370816.db2.gz YCEJMDKFQHSMNM-LYFYHCNISA-N 0 3 242.241 0.399 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCC(=O)NCC1CC1 ZINC000237059611 171371046 /nfs/dbraw/zinc/37/10/46/171371046.db2.gz JNIYPVBBSNFXTP-GZMMTYOYSA-N 0 3 241.335 0.002 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCC(C)(C)OC ZINC000133472016 171371107 /nfs/dbraw/zinc/37/11/07/171371107.db2.gz LCSUJFUARWRSBX-DTWKUNHWSA-N 0 3 216.325 0.901 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)C(=O)OC ZINC000037031990 171371236 /nfs/dbraw/zinc/37/12/36/171371236.db2.gz FCQQYMLKPAVCGT-BIIVOSGPSA-N 0 3 216.281 0.038 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NC[C@@]1(C)CCOC1 ZINC000353662724 171371839 /nfs/dbraw/zinc/37/18/39/171371839.db2.gz JCGOAUYHGIDJKE-HOSYDEDBSA-N 0 3 228.336 0.903 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)N[C@H](C)CN(C)C ZINC000358496316 171377550 /nfs/dbraw/zinc/37/75/50/171377550.db2.gz ISSOMMGBUWAYAH-AXFHLTTASA-N 0 3 245.367 0.643 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@H](CC)N(C)C ZINC000305156326 171377718 /nfs/dbraw/zinc/37/77/18/171377718.db2.gz VVPMGLXPCKWLIQ-DCAQKATOSA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)COC1CNC1 ZINC000309513290 171386240 /nfs/dbraw/zinc/38/62/40/171386240.db2.gz QIJWWPNUSZJHDI-IUCAKERBSA-N 0 3 214.309 0.526 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC(C)C ZINC000035661139 171393976 /nfs/dbraw/zinc/39/39/76/171393976.db2.gz SLIXPRLNJUMRKQ-WPRPVWTQSA-N 0 3 229.324 0.001 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCO[C@H](CC)C1 ZINC000036770004 171394725 /nfs/dbraw/zinc/39/47/25/171394725.db2.gz OYWFTSUSJONIDI-AXFHLTTASA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000019485305 171394784 /nfs/dbraw/zinc/39/47/84/171394784.db2.gz LEGMXQKXJHIAHM-MMWGEVLESA-N 0 3 228.336 0.996 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCNC(=O)C1CC1 ZINC000122474828 171395624 /nfs/dbraw/zinc/39/56/24/171395624.db2.gz QYRICAZXGPKWKB-WPRPVWTQSA-N 0 3 241.335 0.002 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)CCO ZINC000133136227 171395777 /nfs/dbraw/zinc/39/57/77/171395777.db2.gz ZTRSBYMNENEOAF-YIZRAAEISA-N 0 3 202.298 0.247 20 0 BCADHN NC(=O)CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662387617 412140778 /nfs/dbraw/zinc/14/07/78/412140778.db2.gz FYVLSWWESZYXBG-NSHDSACASA-N 0 3 247.298 0.213 20 0 BCADHN COCC1(N(C)C[C@H]2CNCCO2)CC1 ZINC000662298993 412087199 /nfs/dbraw/zinc/08/71/99/412087199.db2.gz IGXXDUHUTXGSOJ-SNVBAGLBSA-N 0 3 214.309 0.086 20 0 BCADHN CN(C)CCNC(=O)[C@@H](CO)c1ccccc1 ZINC000665112047 412099436 /nfs/dbraw/zinc/09/94/36/412099436.db2.gz NGYBTLQAARCRCW-LBPRGKRZSA-N 0 3 236.315 0.440 20 0 BCADHN CC(C)[C@@H](C)NC(=O)CN1CC[C@@H](F)[C@H](N)C1 ZINC000662322698 412100809 /nfs/dbraw/zinc/10/08/09/412100809.db2.gz XAQBXRSRXFNTTF-GMTAPVOTSA-N 0 3 245.342 0.518 20 0 BCADHN Cc1nc(CN2CC[C@@H](F)[C@H](N)C2)no1 ZINC000662322912 412101349 /nfs/dbraw/zinc/10/13/49/412101349.db2.gz JMLBAWZWGYMLKM-HTQZYQBOSA-N 0 3 214.244 0.249 20 0 BCADHN N[C@@H]1CN(Cc2cc3n(n2)CCC3)CC[C@H]1F ZINC000662325503 412102017 /nfs/dbraw/zinc/10/20/17/412102017.db2.gz HIVULGAIAXZRGB-VXGBXAGGSA-N 0 3 238.310 0.700 20 0 BCADHN N[C@@H]1CN(CCOCC2CC2)CC[C@H]1F ZINC000662326228 412102544 /nfs/dbraw/zinc/10/25/44/412102544.db2.gz XBAFKLDHAYLMQT-GHMZBOCLSA-N 0 3 216.300 0.784 20 0 BCADHN COCCCCN1CC[C@@H](F)[C@H](N)C1 ZINC000662325824 412102938 /nfs/dbraw/zinc/10/29/38/412102938.db2.gz QLAMPBLVTHCTHT-NXEZZACHSA-N 0 3 204.289 0.784 20 0 BCADHN COCC[C@H](C)N1CC[C@@H](F)[C@H](N)C1 ZINC000662326397 412103821 /nfs/dbraw/zinc/10/38/21/412103821.db2.gz YUOFWRMIRXSZOJ-IVZWLZJFSA-N 0 3 204.289 0.783 20 0 BCADHN CN(CC(=O)N1CCOCC1)C[C@@H]1CC1(C)C ZINC000662347683 412118460 /nfs/dbraw/zinc/11/84/60/412118460.db2.gz JDUDHVFCQJGJBF-NSHDSACASA-N 0 3 240.347 0.823 20 0 BCADHN CC[C@H](CO)NC(=O)[C@@H](CC)N(C)C ZINC000124149371 171448500 /nfs/dbraw/zinc/44/85/00/171448500.db2.gz STCWVJKSBDODAT-RKDXNWHRSA-N 0 3 202.298 0.214 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1ccc(C(=O)NC)cc1 ZINC000662367459 412125434 /nfs/dbraw/zinc/12/54/34/412125434.db2.gz IUZVBRBNDHEPTR-LLVKDONJSA-N 0 3 249.314 0.983 20 0 BCADHN C[C@@H]1CN(C(=O)Nc2nncs2)[C@@H](C)CN1 ZINC000623058679 412130001 /nfs/dbraw/zinc/13/00/01/412130001.db2.gz IDSZESKNUJHHSA-RQJHMYQMSA-N 0 3 241.320 0.752 20 0 BCADHN C[C@@H]1CN(C(=O)Nc2nncs2)[C@H](C)CN1 ZINC000623058678 412130322 /nfs/dbraw/zinc/13/03/22/412130322.db2.gz IDSZESKNUJHHSA-RNFRBKRXSA-N 0 3 241.320 0.752 20 0 BCADHN CC[C@H](NC)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000662383407 412135849 /nfs/dbraw/zinc/13/58/49/412135849.db2.gz IPCJSSSBLKOQRD-NSHDSACASA-N 0 3 249.314 0.651 20 0 BCADHN CC[C@H](N)C(=O)N(CCOC)CC(C)C ZINC000037809114 171477657 /nfs/dbraw/zinc/47/76/57/171477657.db2.gz VIZPRTVSMFWINO-JTQLQIEISA-N 0 3 216.325 0.855 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000662472451 412188199 /nfs/dbraw/zinc/18/81/99/412188199.db2.gz RGTQXJDKFXNMRF-JLIMGVALSA-N 0 3 226.320 0.524 20 0 BCADHN CC[C@@H](NC)C(=O)N(CC(N)=O)C1CCCC1 ZINC000662477224 412189120 /nfs/dbraw/zinc/18/91/20/412189120.db2.gz CNNSMVSIAPTTPH-SNVBAGLBSA-N 0 3 241.335 0.241 20 0 BCADHN CN(C)[C@]1(CNc2nncs2)CCSC1 ZINC000450361639 412196796 /nfs/dbraw/zinc/19/67/96/412196796.db2.gz DCWJBMZQKOKRDB-VIFPVBQESA-N 0 3 244.389 1.387 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000662504038 412197442 /nfs/dbraw/zinc/19/74/42/412197442.db2.gz ZNJFTVVLEGZITI-ZDCRXTMVSA-N 0 3 226.320 0.668 20 0 BCADHN CC[C@H](NC)C(=O)Nc1cc(C)cn(C)c1=O ZINC000662503572 412197622 /nfs/dbraw/zinc/19/76/22/412197622.db2.gz JTOFUOAWMTXYPT-VIFPVBQESA-N 0 3 237.303 0.630 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000662503646 412197730 /nfs/dbraw/zinc/19/77/30/412197730.db2.gz LSLUQXADXONVTC-SNVBAGLBSA-N 0 3 236.319 0.901 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1cc(C)n(C)n1 ZINC000662506736 412198851 /nfs/dbraw/zinc/19/88/51/412198851.db2.gz DVRFPWPMGGEOPJ-MRVPVSSYSA-N 0 3 210.281 0.665 20 0 BCADHN NC1(C(=O)NCc2cc[nH]n2)CC2(CCC2)C1 ZINC000662508065 412199060 /nfs/dbraw/zinc/19/90/60/412199060.db2.gz UIIPGLCSHPWBOR-UHFFFAOYSA-N 0 3 234.303 0.688 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000662507028 412199226 /nfs/dbraw/zinc/19/92/26/412199226.db2.gz GXUOTOYWWYROGF-GARJFASQSA-N 0 3 226.320 0.622 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000662510716 412200475 /nfs/dbraw/zinc/20/04/75/412200475.db2.gz OWJFHOFIXBJOMX-DCAQKATOSA-N 0 3 228.336 0.914 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000662510717 412200784 /nfs/dbraw/zinc/20/07/84/412200784.db2.gz OWJFHOFIXBJOMX-GARJFASQSA-N 0 3 228.336 0.914 20 0 BCADHN C[C@@H]1CN(C(=O)CCCF)[C@@H](C)CN1 ZINC000662514422 412201930 /nfs/dbraw/zinc/20/19/30/412201930.db2.gz OHSPWJAITOSANB-BDAKNGLRSA-N 0 3 202.273 0.945 20 0 BCADHN Cn1cc(CNC(=O)C2(N)CC3(CCC3)C2)cn1 ZINC000662532089 412207454 /nfs/dbraw/zinc/20/74/54/412207454.db2.gz MQEWXCGGYQZMNZ-UHFFFAOYSA-N 0 3 248.330 0.698 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000662534735 412208974 /nfs/dbraw/zinc/20/89/74/412208974.db2.gz BSCSQDUYBQCXMQ-GDPRMGEGSA-N 0 3 226.320 0.668 20 0 BCADHN CC[C@H](NC)C(=O)Nc1cn(C)c(=O)cc1C ZINC000662539085 412209014 /nfs/dbraw/zinc/20/90/14/412209014.db2.gz YYEDYMBDJRXYNS-VIFPVBQESA-N 0 3 237.303 0.630 20 0 BCADHN CC[C@@H](NC)C(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000662544728 412211517 /nfs/dbraw/zinc/21/15/17/412211517.db2.gz DHCGRLBWJWCFMK-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN COCCNCCNC(=O)[C@@H]1CC[C@@H](OC)C1 ZINC000662550131 412212481 /nfs/dbraw/zinc/21/24/81/412212481.db2.gz BUWFYMXKSJAMEJ-GHMZBOCLSA-N 0 3 244.335 0.154 20 0 BCADHN CC[C@H](NC)C(=O)Nc1ccc(=O)n(CC)c1 ZINC000662398334 412147145 /nfs/dbraw/zinc/14/71/45/412147145.db2.gz UNWRVYIERIXFCT-JTQLQIEISA-N 0 3 237.303 0.805 20 0 BCADHN CNC(=O)[C@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662399651 412148424 /nfs/dbraw/zinc/14/84/24/412148424.db2.gz YTNQBXVUFFMDHT-QMMMGPOBSA-N 0 3 247.298 0.154 20 0 BCADHN CC[C@H](NC)C(=O)NC(CC)(CC)C(N)=O ZINC000662552512 412213542 /nfs/dbraw/zinc/21/35/42/412213542.db2.gz CXUPRXUOHSLXTL-QMMMGPOBSA-N 0 3 229.324 0.145 20 0 BCADHN C[C@@H]1C[C@@H]1c1cc(NC(=O)CNCC2CC2)n[nH]1 ZINC000576276360 412152287 /nfs/dbraw/zinc/15/22/87/412152287.db2.gz HSWCRKMNTVSMAN-SCZZXKLOSA-N 0 3 248.330 1.471 20 0 BCADHN CN(C)C1(CNc2ccc(C#N)nn2)CC1 ZINC000397897690 412152649 /nfs/dbraw/zinc/15/26/49/412152649.db2.gz RWLXXCVUJIJREB-UHFFFAOYSA-N 0 3 217.276 0.854 20 0 BCADHN CN(C)C1(CNC(=O)Nc2nncs2)CC1 ZINC000417164771 412152951 /nfs/dbraw/zinc/15/29/51/412152951.db2.gz VFIZJLOZNIHNJN-UHFFFAOYSA-N 0 3 241.320 0.754 20 0 BCADHN C[C@@H]1C[C@@H]1c1cc(NC(=O)[C@@H]2CCN(C)C2)n[nH]1 ZINC000591450864 412155012 /nfs/dbraw/zinc/15/50/12/412155012.db2.gz YHUOZDCYEQRVNB-BBBLOLIVSA-N 0 3 248.330 1.423 20 0 BCADHN C[C@@H]1C[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2N)n[nH]1 ZINC000567349452 412155466 /nfs/dbraw/zinc/15/54/66/412155466.db2.gz OTEPWLAJNYEJDP-CWKFCGSDSA-N 0 3 220.276 0.819 20 0 BCADHN CCn1cnc(C(=O)N2CCNCC2(C)C)c1 ZINC000662423812 412164124 /nfs/dbraw/zinc/16/41/24/412164124.db2.gz KRDRPRJMCBVSID-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN C[C@@H]1[C@@H](Nc2ccnc(N(C)C)n2)CCCN1C ZINC000343612175 412167642 /nfs/dbraw/zinc/16/76/42/412167642.db2.gz VLNIHSGIPOZMBQ-MNOVXSKESA-N 0 3 249.362 1.437 20 0 BCADHN C[C@@H]1[C@H](Nc2ccnc(N(C)C)n2)CCCN1C ZINC000343612145 412167697 /nfs/dbraw/zinc/16/76/97/412167697.db2.gz VLNIHSGIPOZMBQ-GHMZBOCLSA-N 0 3 249.362 1.437 20 0 BCADHN C[C@@H]1[C@H](NC(=O)Nc2ccon2)CCCN1C ZINC000350049602 412168295 /nfs/dbraw/zinc/16/82/95/412168295.db2.gz PFJOSTIJFZSAJD-RKDXNWHRSA-N 0 3 238.291 1.279 20 0 BCADHN C[C@H](CO)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665363996 412288500 /nfs/dbraw/zinc/28/85/00/412288500.db2.gz HMDSKBJXBHQLFH-NXEZZACHSA-N 0 3 243.351 0.539 20 0 BCADHN CN1CC[C@H](C(=O)Nc2cc(C3CC3)[nH]n2)C1 ZINC000591445161 412256787 /nfs/dbraw/zinc/25/67/87/412256787.db2.gz LPKILELXAPJGLW-VIFPVBQESA-N 0 3 234.303 1.177 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)C[C@@H]1COCCO1 ZINC000662655927 412258462 /nfs/dbraw/zinc/25/84/62/412258462.db2.gz AIOGWISBQKQUOL-MNOVXSKESA-N 0 3 244.335 0.234 20 0 BCADHN CN(CC1=CCCOC1)C(=O)[C@H]1NCC1(C)C ZINC000662662747 412261994 /nfs/dbraw/zinc/26/19/94/412261994.db2.gz UVWFYVQHRYDMNP-LLVKDONJSA-N 0 3 238.331 0.790 20 0 BCADHN CN[C@@H](C)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000662690194 412266968 /nfs/dbraw/zinc/26/69/68/412266968.db2.gz KOBYWQUZNZLLJE-ATZCPNFKSA-N 0 3 212.293 0.089 20 0 BCADHN COCCNCC(=O)N1CCC[C@H](CCF)C1 ZINC000662687048 412270653 /nfs/dbraw/zinc/27/06/53/412270653.db2.gz CZEWVNOIQPZBHQ-LLVKDONJSA-N 0 3 246.326 0.821 20 0 BCADHN C[C@H]1C[C@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2N)n[nH]1 ZINC000567349454 412270770 /nfs/dbraw/zinc/27/07/70/412270770.db2.gz OTEPWLAJNYEJDP-OSMVPFSASA-N 0 3 220.276 0.819 20 0 BCADHN CN(C)Cc1cccc(NC(=O)C2(O)CNC2)c1 ZINC000662684396 412271063 /nfs/dbraw/zinc/27/10/63/412271063.db2.gz YBXCXRSBPRVKLW-UHFFFAOYSA-N 0 3 249.314 0.021 20 0 BCADHN C[C@]12COC[C@@H]1CN(C(=O)[C@@H](N)C1CCC1)C2 ZINC000662688979 412272208 /nfs/dbraw/zinc/27/22/08/412272208.db2.gz CFDMZNPOUJGUNM-GVXVVHGQSA-N 0 3 238.331 0.609 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000662689403 412272296 /nfs/dbraw/zinc/27/22/96/412272296.db2.gz GIGGCANBWOSFHX-IQJOONFLSA-N 0 3 212.293 0.219 20 0 BCADHN C[C@H]1[C@H](Nc2ccnc(N(C)C)n2)CCCN1C ZINC000343612183 412275935 /nfs/dbraw/zinc/27/59/35/412275935.db2.gz VLNIHSGIPOZMBQ-WDEREUQCSA-N 0 3 249.362 1.437 20 0 BCADHN NC(C(=O)N1CC[C@@H]2C[C@@H]2C1)C(F)(F)F ZINC000662703146 412276620 /nfs/dbraw/zinc/27/66/20/412276620.db2.gz FORNPLQATJJOJC-FSDSQADBSA-N 0 3 222.210 0.744 20 0 BCADHN CCCN1CC[C@@H](NC(=O)CC(F)(F)CN)C1 ZINC000662703863 412276996 /nfs/dbraw/zinc/27/69/96/412276996.db2.gz PGFTYPRVKABFBE-SECBINFHSA-N 0 3 249.305 0.571 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000662713694 412279691 /nfs/dbraw/zinc/27/96/91/412279691.db2.gz XWIZDOOPTGKFRK-GMTAPVOTSA-N 0 3 226.320 0.465 20 0 BCADHN CC(C)NCC(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662713848 412280275 /nfs/dbraw/zinc/28/02/75/412280275.db2.gz ZLUJWTBOQHZVDK-WDEREUQCSA-N 0 3 226.320 0.479 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662710850 412280361 /nfs/dbraw/zinc/28/03/61/412280361.db2.gz JPQNYKUOKSITQG-LOWVWBTDSA-N 0 3 240.347 0.999 20 0 BCADHN CC(C)NCC(=O)NCc1nncn1C(C)C ZINC000662721873 412282945 /nfs/dbraw/zinc/28/29/45/412282945.db2.gz XVPJHKXCYMBORO-UHFFFAOYSA-N 0 3 239.323 0.473 20 0 BCADHN C[C@H](O)CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665360792 412286600 /nfs/dbraw/zinc/28/66/00/412286600.db2.gz CEPKSRTYKKYZSB-VHSXEESVSA-N 0 3 243.351 0.539 20 0 BCADHN CC[C@@H](O)CCNC(=O)C1(N)CC2(CCC2)C1 ZINC000662555400 412216379 /nfs/dbraw/zinc/21/63/79/412216379.db2.gz GRTKWUYUQALHLJ-SNVBAGLBSA-N 0 3 240.347 0.925 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)Cc1c[nH]cn1 ZINC000662586372 412230994 /nfs/dbraw/zinc/23/09/94/412230994.db2.gz TUMQYWBBYHYSKO-LLVKDONJSA-N 0 3 224.308 0.886 20 0 BCADHN CCC[C@H](O)CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662593732 412233338 /nfs/dbraw/zinc/23/33/38/412233338.db2.gz DUKVVLHVCIRWKB-JTQLQIEISA-N 0 3 240.347 0.925 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@H](C2CCC2)C1 ZINC000665288537 412233522 /nfs/dbraw/zinc/23/35/22/412233522.db2.gz PVAZIZSYAIVTBP-QWRGUYRKSA-N 0 3 208.305 0.997 20 0 BCADHN CNC1(CNc2nccn(C)c2=O)CCC1 ZINC000621324433 412289650 /nfs/dbraw/zinc/28/96/50/412289650.db2.gz KSCSVUVVHFQUQO-UHFFFAOYSA-N 0 3 222.292 0.334 20 0 BCADHN C[C@H](CO)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665363997 412287851 /nfs/dbraw/zinc/28/78/51/412287851.db2.gz HMDSKBJXBHQLFH-ZJUUUORDSA-N 0 3 243.351 0.539 20 0 BCADHN CO[C@@H](C)[C@@H](C)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665291568 412237551 /nfs/dbraw/zinc/23/75/51/412237551.db2.gz FWYJTOQRNQYORJ-SFYZADRCSA-N 0 3 240.307 0.154 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H](C)c1ccccn1 ZINC000662607014 412238630 /nfs/dbraw/zinc/23/86/30/412238630.db2.gz ZLVDJQHOODFZCH-DTWKUNHWSA-N 0 3 207.277 0.649 20 0 BCADHN CO[C@@H](CNC(=O)[C@H](N)C(C)C)[C@@H]1CCOC1 ZINC000662616552 412243219 /nfs/dbraw/zinc/24/32/19/412243219.db2.gz LRFSTUKAVFUUJM-OUAUKWLOSA-N 0 3 244.335 0.137 20 0 BCADHN COC[C@H](CCNC(=O)[C@H](N)C(C)C)OC ZINC000662617220 412243642 /nfs/dbraw/zinc/24/36/42/412243642.db2.gz MJOXYQOLLGZFDI-VHSXEESVSA-N 0 3 232.324 0.137 20 0 BCADHN NC1(C(=O)NCc2ncc[nH]2)CC2(CCC2)C1 ZINC000662732522 412288110 /nfs/dbraw/zinc/28/81/10/412288110.db2.gz XALAPWPDMYDHRD-UHFFFAOYSA-N 0 3 234.303 0.688 20 0 BCADHN CN1CC=C(CNc2nccn3nnnc23)CC1 ZINC000537193088 412245042 /nfs/dbraw/zinc/24/50/42/412245042.db2.gz PNBGKAOVJRINDC-UHFFFAOYSA-N 0 3 245.290 0.193 20 0 BCADHN CC(C)Cc1cc(NC(=O)C2(N)CCC2)n[nH]1 ZINC000568760000 412288131 /nfs/dbraw/zinc/28/81/31/412288131.db2.gz DWLILYGVLSNURZ-UHFFFAOYSA-N 0 3 236.319 1.428 20 0 BCADHN CC[C@H](NC)C(=O)N[C@](CC)(C(N)=O)C(C)C ZINC000662800211 412305457 /nfs/dbraw/zinc/30/54/57/412305457.db2.gz QDIVQLBLFZQPLA-CABZTGNLSA-N 0 3 243.351 0.391 20 0 BCADHN CNc1ccc(NC(=O)[C@H](N)C2CCC2)cn1 ZINC000422542647 412311441 /nfs/dbraw/zinc/31/14/41/412311441.db2.gz QPMGFWBEEPKKDH-LLVKDONJSA-N 0 3 234.303 1.189 20 0 BCADHN CC[C@H]1CN(Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC000270914467 171661951 /nfs/dbraw/zinc/66/19/51/171661951.db2.gz OKJSTWLTFFHICB-AAEUAGOBSA-N 0 3 248.326 0.988 20 0 BCADHN CC[C@@H](NC(=O)[C@H](C)NC)[C@H]1CCCO1 ZINC000662826562 412312641 /nfs/dbraw/zinc/31/26/41/412312641.db2.gz HUJFNYIKIMIXTM-IVZWLZJFSA-N 0 3 214.309 0.668 20 0 BCADHN NC1(C(=O)NCCOCCF)CC2(CCC2)C1 ZINC000663003292 412366482 /nfs/dbraw/zinc/36/64/82/412366482.db2.gz LIACHRNCUZXRMX-UHFFFAOYSA-N 0 3 244.310 0.750 20 0 BCADHN Cc1cc(C)nc(NCCN2CC[C@@H](O)C2)n1 ZINC000624678325 412317428 /nfs/dbraw/zinc/31/74/28/412317428.db2.gz PASVJWSNHIDZRW-LLVKDONJSA-N 0 3 236.319 0.572 20 0 BCADHN CC(C)c1cc(NC(=O)[C@@H]2C[C@@H]2N)n[nH]1 ZINC000335408758 412320898 /nfs/dbraw/zinc/32/08/98/412320898.db2.gz PKAFTIRDPRFRGP-RQJHMYQMSA-N 0 3 208.265 0.819 20 0 BCADHN CNCC(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000663000787 412366737 /nfs/dbraw/zinc/36/67/37/412366737.db2.gz MJNLYMMYPKIKOH-XCBNKYQSSA-N 0 3 236.262 0.477 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](CO)C1CCC1 ZINC000662851274 412321710 /nfs/dbraw/zinc/32/17/10/412321710.db2.gz XVWGQOCGYNTURJ-DTWKUNHWSA-N 0 3 200.282 0.001 20 0 BCADHN CC[C@H](N)C(=O)N(C)C1(COC)CC1 ZINC000662850591 412322065 /nfs/dbraw/zinc/32/20/65/412322065.db2.gz QIPCYKQHFICKNK-QMMMGPOBSA-N 0 3 200.282 0.361 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](COC)C1CCOCC1 ZINC000662850454 412322089 /nfs/dbraw/zinc/32/20/89/412322089.db2.gz OMUMKZWBUCWOKO-WDEREUQCSA-N 0 3 244.335 0.282 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N[C@H](CO)C2CCC2)C1 ZINC000662852023 412323057 /nfs/dbraw/zinc/32/30/57/412323057.db2.gz GZOWSYSACXDMQY-ADEWGFFLSA-N 0 3 240.347 0.652 20 0 BCADHN CC(C)c1nnc(NC[C@H]2CNCCO2)s1 ZINC000333686194 412323779 /nfs/dbraw/zinc/32/37/79/412323779.db2.gz PIHIFJQLTKSART-MRVPVSSYSA-N 0 3 242.348 1.062 20 0 BCADHN CO[C@H]1CCCN(C(=O)COC2(C)CNC2)C1 ZINC000219018838 412324725 /nfs/dbraw/zinc/32/47/25/412324725.db2.gz OKUXGNFVZBUCTK-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN NC1(C(=O)N[C@H](CO)C2CCC2)CCC1 ZINC000662854127 412324832 /nfs/dbraw/zinc/32/48/32/412324832.db2.gz RPLYWKGWZGTUAM-SECBINFHSA-N 0 3 212.293 0.145 20 0 BCADHN NC1(C(=O)NC/C=C/CO)CCCCC1 ZINC000662856154 412325113 /nfs/dbraw/zinc/32/51/13/412325113.db2.gz NLRSVNFUGMDNNN-SNAWJCMRSA-N 0 3 212.293 0.313 20 0 BCADHN N[C@H](Cc1ccccc1)C(=O)NC/C=C/CO ZINC000662855380 412325156 /nfs/dbraw/zinc/32/51/56/412325156.db2.gz IAEKOGCYICJQPS-ZYOFXKKJSA-N 0 3 234.299 0.221 20 0 BCADHN N[C@@H](Cc1ccccc1)C(=O)NC/C=C/CO ZINC000662855376 412325244 /nfs/dbraw/zinc/32/52/44/412325244.db2.gz IAEKOGCYICJQPS-ITKZLYELSA-N 0 3 234.299 0.221 20 0 BCADHN N[C@H](Cc1ccccc1)C(=O)NC/C=C\CO ZINC000662855378 412325298 /nfs/dbraw/zinc/32/52/98/412325298.db2.gz IAEKOGCYICJQPS-QMAVJUDZSA-N 0 3 234.299 0.221 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](CO)C1CCC1 ZINC000662855590 412325332 /nfs/dbraw/zinc/32/53/32/412325332.db2.gz XVWGQOCGYNTURJ-RKDXNWHRSA-N 0 3 200.282 0.001 20 0 BCADHN CC1(C)CCCN[C@H]1C(=O)NC/C=C/CO ZINC000662857603 412326295 /nfs/dbraw/zinc/32/62/95/412326295.db2.gz BMNVZOQYPSLLAD-FSIBCCDJSA-N 0 3 226.320 0.429 20 0 BCADHN C[C@@H](COc1c(F)cccc1F)NC(=O)CN ZINC000662870274 412329801 /nfs/dbraw/zinc/32/98/01/412329801.db2.gz BLKOFGDJJDHDED-ZETCQYMHSA-N 0 3 244.241 0.807 20 0 BCADHN COCc1csc(CNC(=O)CN)c1 ZINC000662872406 412330839 /nfs/dbraw/zinc/33/08/39/412330839.db2.gz FGSZBEWYHAHEJW-UHFFFAOYSA-N 0 3 214.290 0.469 20 0 BCADHN CN(C[C@@H]1COCCO1)C(=O)[C@@H]1CCCCN1 ZINC000662872510 412331096 /nfs/dbraw/zinc/33/10/96/412331096.db2.gz BYDJHHOCUYKNIX-MNOVXSKESA-N 0 3 242.319 0.002 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000662873903 412331736 /nfs/dbraw/zinc/33/17/36/412331736.db2.gz SVIFFWYWVNFCAN-CIUDSAMLSA-N 0 3 200.282 0.407 20 0 BCADHN NCC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000662873808 412332012 /nfs/dbraw/zinc/33/20/12/412332012.db2.gz ROEZUBLHGKPVOU-RYUDHWBXSA-N 0 3 234.299 0.634 20 0 BCADHN C[C@]12COC[C@@H]1CN(C(=O)[C@@H]1CCCCN1)C2 ZINC000662880355 412334748 /nfs/dbraw/zinc/33/47/48/412334748.db2.gz KGCUIZPRFZKBFZ-GVXVVHGQSA-N 0 3 238.331 0.623 20 0 BCADHN Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)CN)cn1 ZINC000662884641 412334914 /nfs/dbraw/zinc/33/49/14/412334914.db2.gz YBPJTPDWZGNGIU-MNOVXSKESA-N 0 3 236.319 0.206 20 0 BCADHN COc1ccc(N(C)C(=O)C2(N)CC2)cn1 ZINC000662898267 412338356 /nfs/dbraw/zinc/33/83/56/412338356.db2.gz SGAKHWXRTFAHGR-UHFFFAOYSA-N 0 3 221.260 0.544 20 0 BCADHN CC(F)(F)CNC(=O)C(N)C(F)(F)F ZINC000662897447 412338945 /nfs/dbraw/zinc/33/89/45/412338945.db2.gz HLRCQYJHESDWJA-GSVOUGTGSA-N 0 3 220.141 0.647 20 0 BCADHN CCn1ccnc1[C@H](C)NC(=O)CNC ZINC000662900430 412339952 /nfs/dbraw/zinc/33/99/52/412339952.db2.gz OQXLPBATHFYOGU-QMMMGPOBSA-N 0 3 210.281 0.300 20 0 BCADHN CNCC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000662908706 412341952 /nfs/dbraw/zinc/34/19/52/412341952.db2.gz WOHSUHUBGDSODP-NSHDSACASA-N 0 3 212.293 0.235 20 0 BCADHN O=C(CNC1CC1)N1CC[C@]2(C1)CCCOC2 ZINC000662910442 412342195 /nfs/dbraw/zinc/34/21/95/412342195.db2.gz OJKNQICRTFVTEW-ZDUSSCGKSA-N 0 3 238.331 0.768 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000662908380 412342327 /nfs/dbraw/zinc/34/23/27/412342327.db2.gz UERWNOWFNJWLHV-ONGXEEELSA-N 0 3 212.293 0.363 20 0 BCADHN NC1(C(=O)N2CC[C@]3(C2)CCCOC3)CCC1 ZINC000662911565 412343697 /nfs/dbraw/zinc/34/36/97/412343697.db2.gz RSZQFJBDLLBDJF-LBPRGKRZSA-N 0 3 238.331 0.897 20 0 BCADHN CCCCc1cc(NC(=O)[C@@H](CN)OC)n[nH]1 ZINC000569452566 412345159 /nfs/dbraw/zinc/34/51/59/412345159.db2.gz MTGBIEWCIJCVDR-SECBINFHSA-N 0 3 240.307 0.665 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H](C)c1nccn1C ZINC000662934733 412349900 /nfs/dbraw/zinc/34/99/00/412349900.db2.gz QBUOGICFVRDHIE-BDAKNGLRSA-N 0 3 224.308 0.581 20 0 BCADHN N[C@@H]1CN(C(=O)C2CC=CC2)CC[C@H]1F ZINC000662945988 412350889 /nfs/dbraw/zinc/35/08/89/412350889.db2.gz YIAAUSVGKOTEAX-NXEZZACHSA-N 0 3 212.268 0.850 20 0 BCADHN O=C(NCCOCCF)C1(NC2CC2)CCC1 ZINC000663005486 412367768 /nfs/dbraw/zinc/36/77/68/412367768.db2.gz VEFQUULDOFZGDW-UHFFFAOYSA-N 0 3 244.310 0.763 20 0 BCADHN CCCN1CC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC000396947422 412354306 /nfs/dbraw/zinc/35/43/06/412354306.db2.gz LQZQRERVPGNAME-LLVKDONJSA-N 0 3 231.303 1.244 20 0 BCADHN CCCN[C@H](C)C(=O)Nc1cc(C)n(C)n1 ZINC000449162376 412356811 /nfs/dbraw/zinc/35/68/11/412356811.db2.gz IYADCDNGYRLCDG-SECBINFHSA-N 0 3 224.308 1.055 20 0 BCADHN CCCN[C@@H](C)C(=O)Nc1ccc(NC)nc1 ZINC000449562924 412357468 /nfs/dbraw/zinc/35/74/68/412357468.db2.gz PJMSGIWVMUAGMY-VIFPVBQESA-N 0 3 236.319 1.450 20 0 BCADHN COCC1(NC(=O)[C@@H](C)N)CCCCC1 ZINC000662986722 412362977 /nfs/dbraw/zinc/36/29/77/412362977.db2.gz AFXSJYXOQJKKGV-SECBINFHSA-N 0 3 214.309 0.799 20 0 BCADHN Cc1cc2nccc(NC(=O)[C@@H](C)N)n2n1 ZINC000662990634 412364130 /nfs/dbraw/zinc/36/41/30/412364130.db2.gz VIZLQZAUNKMCBI-SSDOTTSWSA-N 0 3 219.248 0.323 20 0 BCADHN Cc1cc2nccc(NC(=O)[C@H](C)N)n2n1 ZINC000662990641 412364207 /nfs/dbraw/zinc/36/42/07/412364207.db2.gz VIZLQZAUNKMCBI-ZETCQYMHSA-N 0 3 219.248 0.323 20 0 BCADHN C[C@H]1CN(C(=O)C2(N)CC2)C[C@@](C)(C(F)F)O1 ZINC000663001667 412365169 /nfs/dbraw/zinc/36/51/69/412365169.db2.gz XKWYPMHUNKVWON-XVKPBYJWSA-N 0 3 248.273 0.749 20 0 BCADHN Cc1c(C(=O)N2CC[C@@H](F)[C@H](N)C2)cnn1C ZINC000662744968 412290212 /nfs/dbraw/zinc/29/02/12/412290212.db2.gz CAYLRYGXZCYXPI-NXEZZACHSA-N 0 3 240.282 0.240 20 0 BCADHN Cc1nc[nH]c1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662753153 412290948 /nfs/dbraw/zinc/29/09/48/412290948.db2.gz OTBLOHZEJZBWQC-UHFFFAOYSA-N 0 3 248.330 0.996 20 0 BCADHN C[C@@H](N)C(=O)N1CCCc2c(cnn2C)C1 ZINC000662759712 412292824 /nfs/dbraw/zinc/29/28/24/412292824.db2.gz BFIJBWKPUDQXQG-MRVPVSSYSA-N 0 3 222.292 0.042 20 0 BCADHN C[C@H](N)C(=O)N1CC(C)(C)[C@@H]1c1cnn(C)c1 ZINC000662758198 412293085 /nfs/dbraw/zinc/29/30/85/412293085.db2.gz QGYFRBSSSFXWOG-WPRPVWTQSA-N 0 3 236.319 0.677 20 0 BCADHN NCC(F)(F)CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662766970 412296258 /nfs/dbraw/zinc/29/62/58/412296258.db2.gz PBVNBPRXJFTAHY-UHFFFAOYSA-N 0 3 247.289 0.358 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000573577035 412296408 /nfs/dbraw/zinc/29/64/08/412296408.db2.gz PQHWQRAXYQLDHZ-IONNQARKSA-N 0 3 238.291 0.808 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc(CCC(C)C)[nH]n1 ZINC000573020264 412296454 /nfs/dbraw/zinc/29/64/54/412296454.db2.gz FTXKHSOLUKMPSX-VIFPVBQESA-N 0 3 238.335 1.545 20 0 BCADHN C[C@H]1NCCN(C(=O)Cc2cscn2)[C@@H]1C ZINC000662771907 412297193 /nfs/dbraw/zinc/29/71/93/412297193.db2.gz BEFVPBIAKJKDKB-RKDXNWHRSA-N 0 3 239.344 0.894 20 0 BCADHN CN[C@H](CC(C)(C)C)C(=O)Nc1cc[nH]n1 ZINC000387613552 412297710 /nfs/dbraw/zinc/29/77/10/412297710.db2.gz ZJZVDANKTRCIOE-MRVPVSSYSA-N 0 3 224.308 1.372 20 0 BCADHN CN[C@H](CC(C)(C)C)C(=O)Nc1ccn(C)n1 ZINC000387536059 412298061 /nfs/dbraw/zinc/29/80/61/412298061.db2.gz LDQJMSKHXNPPQK-SECBINFHSA-N 0 3 238.335 1.383 20 0 BCADHN Cc1cc(CC(=O)N2CCN[C@@H](C)[C@H]2C)on1 ZINC000662776779 412299363 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/nfs/dbraw/zinc/37/26/56/412372656.db2.gz RKNBIWIDZIDCRN-UHFFFAOYSA-N 0 3 224.304 0.376 20 0 BCADHN CCN(C)CCNc1cc(C#N)ncn1 ZINC000379786794 412373376 /nfs/dbraw/zinc/37/33/76/412373376.db2.gz FQGFLQIIRKAMET-UHFFFAOYSA-N 0 3 205.265 0.712 20 0 BCADHN Cc1cc(NC(=O)N[C@H](C)CN(C)C)no1 ZINC000348151592 412373845 /nfs/dbraw/zinc/37/38/45/412373845.db2.gz JWTMLWPFYZCBAY-SSDOTTSWSA-N 0 3 226.280 1.055 20 0 BCADHN CC1(C)CN(C(=O)CN)[C@@H]1c1ccncc1 ZINC000663022660 412374062 /nfs/dbraw/zinc/37/40/62/412374062.db2.gz NPOYTJFKIKGIFE-LLVKDONJSA-N 0 3 219.288 0.950 20 0 BCADHN C[C@H](CNC(=O)CN1CCNCC1)C1CC1 ZINC000132969200 412378290 /nfs/dbraw/zinc/37/82/90/412378290.db2.gz LFTLUWXMNGJKSG-SNVBAGLBSA-N 0 3 225.336 0.054 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1O ZINC000133048178 412393369 /nfs/dbraw/zinc/39/33/69/412393369.db2.gz JZULLRILAIAQSR-UWVGGRQHSA-N 0 3 214.309 0.356 20 0 BCADHN CC[C@@H](C)OCC(=O)N1CCOC2(CNC2)C1 ZINC000663217939 412393623 /nfs/dbraw/zinc/39/36/23/412393623.db2.gz 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ZINC000062609454 176263191 /nfs/dbraw/zinc/26/31/91/176263191.db2.gz ANDMPELIKMOGMI-NXEZZACHSA-N 0 3 219.288 0.904 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccncc2)[C@H](C)CN1 ZINC000062609460 176263688 /nfs/dbraw/zinc/26/36/88/176263688.db2.gz ILJQOBLVMHOHAA-NXEZZACHSA-N 0 3 219.288 0.904 20 0 BCADHN C[C@@H]1CN(C(=O)c2cnccn2)[C@H](C)CN1 ZINC000062610083 176264047 /nfs/dbraw/zinc/26/40/47/176264047.db2.gz VVPUAQIDQNKTMA-RKDXNWHRSA-N 0 3 220.276 0.299 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1c1nc(Cn2cccn2)no1 ZINC000359925632 176278571 /nfs/dbraw/zinc/27/85/71/176278571.db2.gz SDNHDGFPPKLMAX-NXEZZACHSA-N 0 3 247.302 0.980 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1c1nc(N(C)C)no1 ZINC000359881382 176278725 /nfs/dbraw/zinc/27/87/25/176278725.db2.gz REIXQFRCEOLIGQ-HTQZYQBOSA-N 0 3 210.281 0.801 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnn(C)c1 ZINC000268281503 176281519 /nfs/dbraw/zinc/28/15/19/176281519.db2.gz XFMKOGHRYGFYKF-BXKDBHETSA-N 0 3 248.330 0.633 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ncn(C)n1 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176299155 /nfs/dbraw/zinc/29/91/55/176299155.db2.gz PJZBYFFQJFXUSF-PRJMDXOYSA-N 0 3 227.226 0.470 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C ZINC000339582937 176300202 /nfs/dbraw/zinc/30/02/02/176300202.db2.gz RAFSDNJWAOAICV-GMTAPVOTSA-N 0 3 246.376 0.608 20 0 BCADHN C[C@@H]1CN(Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC000351774177 176304097 /nfs/dbraw/zinc/30/40/97/176304097.db2.gz JVTWWYKVFWFGBW-BXKDBHETSA-N 0 3 234.299 0.598 20 0 BCADHN C[C@@H]1CN(Cc2ccnc(N)c2)C[C@H]1C(N)=O ZINC000286216157 176309592 /nfs/dbraw/zinc/30/95/92/176309592.db2.gz OTCKDRZKIFCRRR-PSASIEDQSA-N 0 3 234.303 0.217 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000674841549 487633376 /nfs/dbraw/zinc/63/33/76/487633376.db2.gz CABZMBLLNROTQC-LDYMZIIASA-N 0 3 236.319 0.788 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@H](CO)[C@H](C)C1 ZINC000362075619 176316519 /nfs/dbraw/zinc/31/65/19/176316519.db2.gz IRBAXFPYDRTIJT-OPRDCNLKSA-N 0 3 226.320 0.214 20 0 BCADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1nc[nH]n1 ZINC000251763470 176323374 /nfs/dbraw/zinc/32/33/74/176323374.db2.gz LYMRMRWGGAZAAE-BDAKNGLRSA-N 0 3 235.291 0.113 20 0 BCADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccon1 ZINC000113228573 176323588 /nfs/dbraw/zinc/32/35/88/176323588.db2.gz ZYURDBYPGHRTPD-NXEZZACHSA-N 0 3 235.287 0.983 20 0 BCADHN C[C@@H]1CNCCN1C(=O)C1CCN(C)CC1 ZINC000125014127 176325528 /nfs/dbraw/zinc/32/55/28/176325528.db2.gz YXTPXBGUSXIROZ-SNVBAGLBSA-N 0 3 225.336 0.149 20 0 BCADHN C[C@@H]1COCCN(CC[C@H]2CCOC2=O)C1 ZINC000374351211 176333087 /nfs/dbraw/zinc/33/30/87/176333087.db2.gz BLBMQORGKJZPDL-QWRGUYRKSA-N 0 3 227.304 0.908 20 0 BCADHN C[C@@H]1COCCN(CC[C@@H]2CCOC2=O)C1 ZINC000374351213 176333363 /nfs/dbraw/zinc/33/33/63/176333363.db2.gz BLBMQORGKJZPDL-WDEREUQCSA-N 0 3 227.304 0.908 20 0 BCADHN C[C@@H]1COCCN1CCN1C[C@H](O)C2(CC2)C1 ZINC000337207229 176335474 /nfs/dbraw/zinc/33/54/74/176335474.db2.gz OCMZUASUNHJDMO-NEPJUHHUSA-N 0 3 240.347 0.164 20 0 BCADHN C[C@@H]1COCCN1C[C@@H](O)CN(C)C1CC1 ZINC000309481102 176336307 /nfs/dbraw/zinc/33/63/07/176336307.db2.gz VXQYSNSIBDNXRU-PWSUYJOCSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC[C@@H](O)CC1 ZINC000339774695 176336839 /nfs/dbraw/zinc/33/68/39/176336839.db2.gz DLJCCFRQSDBKBL-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H]1COCC[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000305860975 176338463 /nfs/dbraw/zinc/33/84/63/176338463.db2.gz VNFVOLPXRMQEOV-MNOVXSKESA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H]1CSCCN1C[C@H]1COCCO1 ZINC000336555468 176351463 /nfs/dbraw/zinc/35/14/63/176351463.db2.gz IRNLAUBSOVRSTR-ZJUUUORDSA-N 0 3 217.334 0.839 20 0 BCADHN C[C@@H]1CSC[C@@H]1N[C@@H]1CCCS(=O)(=O)C1 ZINC000336668001 176353280 /nfs/dbraw/zinc/35/32/80/176353280.db2.gz DYIRDWFAHCHLKF-BBBLOLIVSA-N 0 3 249.401 0.905 20 0 BCADHN C[C@@H]1CSC[C@@H]1N[C@H]1CCCN(C)C1=O ZINC000309098871 176354610 /nfs/dbraw/zinc/35/46/10/176354610.db2.gz DUYQXSMGAUACBV-UTLUCORTSA-N 0 3 228.361 0.948 20 0 BCADHN C[C@@H]1CSC[C@H]1N[C@@H]1CCN(C)C1=O ZINC000307545926 176355555 /nfs/dbraw/zinc/35/55/55/176355555.db2.gz KZSOQTKLNCZQDJ-IWSPIJDZSA-N 0 3 214.334 0.558 20 0 BCADHN C[C@@H]1CSC[C@H]1NCc1cnnn1C ZINC000307188725 176356144 /nfs/dbraw/zinc/35/61/44/176356144.db2.gz BVWCZFSVDGRHHM-VXNVDRBHSA-N 0 3 212.322 0.656 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)NC[C@H]2CCCN2C)CO1 ZINC000352506771 176358604 /nfs/dbraw/zinc/35/86/04/176358604.db2.gz IKSBTBVSVCCGHC-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1C[C@@H](CNC2(C(N)=O)CC2)CCO1 ZINC000336755924 176369600 /nfs/dbraw/zinc/36/96/00/176369600.db2.gz JBLHQGGZJVEVBJ-BDAKNGLRSA-N 0 3 212.293 0.409 20 0 BCADHN C[C@@H]1C[C@@H](N(C)C(=O)c2c[nH]cn2)CCN1C ZINC000357234963 176370788 /nfs/dbraw/zinc/37/07/88/176370788.db2.gz PANFEXIJIXOUOA-ZJUUUORDSA-N 0 3 236.319 0.964 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000331373941 176391296 /nfs/dbraw/zinc/39/12/96/176391296.db2.gz HEPJSMLKAVCARB-OPRDCNLKSA-N 0 3 232.349 0.395 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCc2nn(C)c(=O)cc2C1 ZINC000336544692 176391962 /nfs/dbraw/zinc/39/19/62/176391962.db2.gz APVUADRZGFVSLP-NXEZZACHSA-N 0 3 233.315 0.794 20 0 BCADHN C[C@@H]1C[C@@H]1N1C[C@@H](N[C@@H]2CCCOC2)CC1=O ZINC000366634875 176398286 /nfs/dbraw/zinc/39/82/86/176398286.db2.gz WFBZPNQNIAPHLF-WYUUTHIRSA-N 0 3 238.331 0.764 20 0 BCADHN Cc1c[nH]nc1C(=O)N(C)C1CCN(C)CC1 ZINC000669585791 487633851 /nfs/dbraw/zinc/63/38/51/487633851.db2.gz HOWJSMPHAXXBQX-UHFFFAOYSA-N 0 3 236.319 0.884 20 0 BCADHN C[C@@H]1NCCN(C(=O)NC2CCC2)[C@H]1C ZINC000335662822 176460085 /nfs/dbraw/zinc/46/00/85/176460085.db2.gz MACDBXXGSGWDOZ-IUCAKERBSA-N 0 3 211.309 0.931 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCCCCC1 ZINC000007339482 176568504 /nfs/dbraw/zinc/56/85/04/176568504.db2.gz ULNCIZDWWXHXOJ-MRVPVSSYSA-N 0 3 213.281 0.446 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000674845630 487634691 /nfs/dbraw/zinc/63/46/91/487634691.db2.gz YEZLUMKQEAFOQZ-PSASIEDQSA-N 0 3 222.292 0.480 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000346228464 176651491 /nfs/dbraw/zinc/65/14/91/176651491.db2.gz QZGRVNQIILACPK-YTWAJWBKSA-N 0 3 226.320 0.478 20 0 BCADHN C[C@H](CNC(=O)c1cccc(F)n1)N(C)C ZINC000122970970 176677138 /nfs/dbraw/zinc/67/71/38/176677138.db2.gz UFSIKZCJEALPMH-MRVPVSSYSA-N 0 3 225.267 0.901 20 0 BCADHN C[C@@H](NCC(=O)Nc1nccs1)[C@H](C)CO ZINC000274053199 176710849 /nfs/dbraw/zinc/71/08/49/176710849.db2.gz PPALOVLIDPNUIL-HTQZYQBOSA-N 0 3 243.332 0.688 20 0 BCADHN C[C@H](N)C(=O)N(C)CC(=O)NCc1ccccc1 ZINC000353667356 176745584 /nfs/dbraw/zinc/74/55/84/176745584.db2.gz HSCITPOIWNUFMF-JTQLQIEISA-N 0 3 249.314 0.108 20 0 BCADHN C[C@H](N)C(=O)NCCOc1ccccc1 ZINC000034328460 176750278 /nfs/dbraw/zinc/75/02/78/176750278.db2.gz JJYGZUDMMYBXPM-VIFPVBQESA-N 0 3 208.261 0.529 20 0 BCADHN C[C@H](NC[C@H]1CC[C@H](CO)O1)c1ccnn1C ZINC000340409458 176870360 /nfs/dbraw/zinc/87/03/60/176870360.db2.gz BBRXJZNALIMPKF-HBNTYKKESA-N 0 3 239.319 0.611 20 0 BCADHN C[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)C(=O)N(C)C ZINC000129047513 176904946 /nfs/dbraw/zinc/90/49/46/176904946.db2.gz ZVAYQMUYGUJKOU-OUAUKWLOSA-N 0 3 239.363 0.678 20 0 BCADHN C[C@H](O)C[C@H](C)CN[C@H]1CCCS(=O)(=O)C1 ZINC000336781480 176999723 /nfs/dbraw/zinc/99/97/23/176999723.db2.gz UVYWUYRAQHNXGP-DCAQKATOSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1[C@H]1CCNC1=O ZINC000407947818 177001899 /nfs/dbraw/zinc/00/18/99/177001899.db2.gz FXJJDDUXKJIMOH-AEJSXWLSSA-N 0 3 212.293 0.110 20 0 BCADHN C[C@H](O)[C@@H]1CCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000305829666 177009888 /nfs/dbraw/zinc/00/98/88/177009888.db2.gz USDUYHXOBYXGGO-HOSYDEDBSA-N 0 3 238.331 0.452 20 0 BCADHN C[C@H](O)[C@H]1CCCCN1CC(=O)N(C)C1CC1 ZINC000303975580 177013667 /nfs/dbraw/zinc/01/36/67/177013667.db2.gz BOZFYGNHWYSTPS-CMPLNLGQSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@H](O)[C@H]1CCN(CC(=O)N(C)CC2CC2)C1 ZINC000305849687 177015217 /nfs/dbraw/zinc/01/52/17/177015217.db2.gz JFWYAOKOWBMADS-JQWIXIFHSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@H](O)[C@H]1CCN(Cc2cnn(C)c2)C1 ZINC000166068359 177015713 /nfs/dbraw/zinc/01/57/13/177015713.db2.gz QKAZZZWZQSKSQB-ONGXEEELSA-N 0 3 209.293 0.623 20 0 BCADHN C[C@H](Oc1cccnc1)C(=O)NCCN(C)C ZINC000117990553 177025272 /nfs/dbraw/zinc/02/52/72/177025272.db2.gz KOHHPWAEESQHCF-JTQLQIEISA-N 0 3 237.303 0.527 20 0 BCADHN C[C@H](c1ccccc1)[C@@H](NCCO)C(N)=O ZINC000292123576 177040009 /nfs/dbraw/zinc/04/00/09/177040009.db2.gz IDTMZMQHYLLCCT-MWLCHTKSSA-N 0 3 222.288 0.226 20 0 BCADHN C[C@H](c1ccccn1)N1CCC[C@@](O)(C(N)=O)C1 ZINC000286101243 177044286 /nfs/dbraw/zinc/04/42/86/177044286.db2.gz IKQJSRDHKZHHDB-MFKMUULPSA-N 0 3 249.314 0.455 20 0 BCADHN C[C@H](c1ccncc1)N(C)C(=O)COC1CNC1 ZINC000357395910 177050599 /nfs/dbraw/zinc/05/05/99/177050599.db2.gz ZHZFXOYQIZEDKS-SNVBAGLBSA-N 0 3 249.314 0.589 20 0 BCADHN C[C@H]1CC(=O)NCCN1C[C@H]1CCOC1 ZINC000371195801 177063241 /nfs/dbraw/zinc/06/32/41/177063241.db2.gz ACRWVFADOFCQPW-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@H]1CCCCN1CCNC(=O)CNC(N)=O ZINC000330664682 177075774 /nfs/dbraw/zinc/07/57/74/177075774.db2.gz UTRWXJYDBCSEBV-VIFPVBQESA-N 0 3 242.323 0.059 20 0 BCADHN C[C@@H](CNC(=O)NCCO)N1CCCC[C@@H]1C ZINC000337379532 177078334 /nfs/dbraw/zinc/07/83/34/177078334.db2.gz UEHDNDUIECGFGO-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H]1CCCN(C(=O)C2(N)CCOCC2)C1 ZINC000149630425 177091491 /nfs/dbraw/zinc/09/14/91/177091491.db2.gz FDXYWOOGKYUREL-JTQLQIEISA-N 0 3 226.320 0.753 20 0 BCADHN C[C@H]1CCCN(CC(=O)N(C)C)[C@@H]1CO ZINC000305164633 177096369 /nfs/dbraw/zinc/09/63/69/177096369.db2.gz GYOFUIVFDNPUFG-VHSXEESVSA-N 0 3 214.309 0.167 20 0 BCADHN C[C@H]1CCCN1C(=O)CCN1CCC[C@H](O)C1 ZINC000304280920 177106027 /nfs/dbraw/zinc/10/60/27/177106027.db2.gz DPDPDYYCLSXVNM-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H]1CCCN1C(=O)[C@@H](N)CC(F)F ZINC000336353476 177107232 /nfs/dbraw/zinc/10/72/32/177107232.db2.gz IWLQGTMPXHVLEC-BQBZGAKWSA-N 0 3 206.236 0.980 20 0 BCADHN C[C@H]1CCCN1CCCS(=O)(=O)N(C)C ZINC000336644288 177109278 /nfs/dbraw/zinc/10/92/78/177109278.db2.gz FYHDGWMUTXGQAB-JTQLQIEISA-N 0 3 234.365 0.752 20 0 BCADHN C[C@H]1CCC[C@H](C)N1CC(=O)N1CCNC1=O ZINC000108863652 177131035 /nfs/dbraw/zinc/13/10/35/177131035.db2.gz RTEZIADQFHNZGA-UWVGGRQHSA-N 0 3 239.319 0.801 20 0 BCADHN C[C@H]1CCC[C@]1(O)CNCc1cnnn1C ZINC000328151127 177144711 /nfs/dbraw/zinc/14/47/11/177144711.db2.gz FGTODWNUVUSRKX-ONGXEEELSA-N 0 3 224.308 0.456 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCCCC2)[C@H]1CO ZINC000248962854 177157377 /nfs/dbraw/zinc/15/73/77/177157377.db2.gz RGPGVYBSHPCNJQ-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H]1CCN(C)CCN1Cc1cn(C)nn1 ZINC000341621485 177157772 /nfs/dbraw/zinc/15/77/72/177157772.db2.gz TXVGYBPFWDBGIY-JTQLQIEISA-N 0 3 223.324 0.341 20 0 BCADHN C[C@H]1CCN(CCN2CCCOCC2)C[C@H]1O ZINC000361353064 177159804 /nfs/dbraw/zinc/15/98/04/177159804.db2.gz GZSMWGJLRUQNDL-QWHCGFSZSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@H](C)[C@H](O)C2)CCO1 ZINC000337296075 177160225 /nfs/dbraw/zinc/16/02/25/177160225.db2.gz JDSHDCBICNSTNX-YNEHKIRRSA-N 0 3 242.363 0.410 20 0 BCADHN C[C@H]1CCN(Cc2ccnc(N)c2)[C@@H]1CO ZINC000227204346 177166605 /nfs/dbraw/zinc/16/66/05/177166605.db2.gz RJPMBXMQSDRFSN-GXSJLCMTSA-N 0 3 221.304 0.867 20 0 BCADHN CC(C)OC[C@H](O)CNC[C@@H](O)C(F)(F)F ZINC000232704028 487637374 /nfs/dbraw/zinc/63/73/74/487637374.db2.gz TZWAYRZSOHUGRO-HTQZYQBOSA-N 0 3 245.241 0.285 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccn(C)c1 ZINC000282206773 177173659 /nfs/dbraw/zinc/17/36/59/177173659.db2.gz CYVJIAJJMQTCLO-GXSJLCMTSA-N 0 3 221.304 0.639 20 0 BCADHN C[C@H]1CCNC(=O)[C@H]1NCCOC(C)(C)C ZINC000193581122 177173716 /nfs/dbraw/zinc/17/37/16/177173716.db2.gz WBXLFQXLQWDOIK-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@H]1CCOCCN1CCn1cncn1 ZINC000375000862 177177224 /nfs/dbraw/zinc/17/72/24/177177224.db2.gz YZCMTEZSIDDAMU-JTQLQIEISA-N 0 3 210.281 0.389 20 0 BCADHN C[C@@H](O)COC(=O)CCN1CCOCC[C@@H]1C ZINC000376447196 177177509 /nfs/dbraw/zinc/17/75/09/177177509.db2.gz IQAMWKVFCVFTCI-WDEREUQCSA-N 0 3 245.319 0.411 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000357906642 177186542 /nfs/dbraw/zinc/18/65/42/177186542.db2.gz DWCSKLUFONJGPH-RNFDROQYSA-N 0 3 238.331 0.620 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ncc[nH]1 ZINC000330969190 177186704 /nfs/dbraw/zinc/18/67/04/177186704.db2.gz MDWHUDBKFMYYBS-AOOOYVTPSA-N 0 3 236.319 0.899 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000332031442 177198938 /nfs/dbraw/zinc/19/89/38/177198938.db2.gz VGQFVIXVPFTSMZ-MRBYEJRBSA-N 0 3 240.347 0.889 20 0 BCADHN C[C@H](CO)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000408395781 177199186 /nfs/dbraw/zinc/19/91/86/177199186.db2.gz WLZRGTFBKMJEJA-UTLUCORTSA-N 0 3 214.309 0.356 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CC[C@@H]1C ZINC000308143432 177207574 /nfs/dbraw/zinc/20/75/74/177207574.db2.gz MNEGQKLMIHQENJ-DJLDLDEBSA-N 0 3 205.323 0.808 20 0 BCADHN C[C@H]1CN(C(=O)/C=C/CN(C)C)CCCO1 ZINC000265668383 177210988 /nfs/dbraw/zinc/21/09/88/177210988.db2.gz SOEVCXNXOBWFIV-MALLOTDXSA-N 0 3 226.320 0.742 20 0 BCADHN C[C@H]1CN(C(=O)CN)C[C@H](c2ccccc2)O1 ZINC000237594561 177216374 /nfs/dbraw/zinc/21/63/74/177216374.db2.gz GOWCKGGTURKJNY-CMPLNLGQSA-N 0 3 234.299 0.934 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H](N)CC(F)F)CCO1 ZINC000336699765 177221867 /nfs/dbraw/zinc/22/18/67/177221867.db2.gz OWMZFGIJMCQBSF-BQBZGAKWSA-N 0 3 222.235 0.216 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)CCO1 ZINC000019435320 177222359 /nfs/dbraw/zinc/22/23/59/177222359.db2.gz JFZDIRWSAPUMGX-AAEUAGOBSA-N 0 3 248.326 0.804 20 0 BCADHN C[C@H](N)C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000041679794 177223898 /nfs/dbraw/zinc/22/38/98/177223898.db2.gz WNFPYWZOYSQORD-YUMQZZPRSA-N 0 3 200.282 0.360 20 0 BCADHN C[C@H]1CN(C(=O)[C@H]2C[C@H](F)CN2)CCS1 ZINC000188521249 177224429 /nfs/dbraw/zinc/22/44/29/177224429.db2.gz RPXGHPNAAADAIX-XHNCKOQMSA-N 0 3 232.324 0.650 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc[nH]c1=O ZINC000086467496 177228863 /nfs/dbraw/zinc/22/88/63/177228863.db2.gz PFKGYDBBBRIQJC-DTWKUNHWSA-N 0 3 235.287 0.610 20 0 BCADHN C[C@H]1CN(C(=O)c2ccncc2)[C@@H](C)CN1 ZINC000062609488 177229962 /nfs/dbraw/zinc/22/99/62/177229962.db2.gz ILJQOBLVMHOHAA-UWVGGRQHSA-N 0 3 219.288 0.904 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccnn1C ZINC000083118275 177230142 /nfs/dbraw/zinc/23/01/42/177230142.db2.gz QOABPRICDQNGLV-DTWKUNHWSA-N 0 3 222.292 0.243 20 0 BCADHN C[C@H]1CN(C)C[C@@H]1C(=O)Nc1nncs1 ZINC000341521170 177236179 /nfs/dbraw/zinc/23/61/79/177236179.db2.gz XRYYVTWQGCYURE-BQBZGAKWSA-N 0 3 226.305 0.674 20 0 BCADHN C[C@H]1CN(C)C[C@H]1NCc1cncn1C ZINC000309092937 177238930 /nfs/dbraw/zinc/23/89/30/177238930.db2.gz BVMOPLYOXLADTE-GXSJLCMTSA-N 0 3 208.309 0.460 20 0 BCADHN C[C@H]1CN(C)C[C@H]1NCc1nnc2n1CCCC2 ZINC000354982986 177239592 /nfs/dbraw/zinc/23/95/92/177239592.db2.gz NCGJYZPCBDKSNZ-WDEREUQCSA-N 0 3 249.362 0.654 20 0 BCADHN C[C@H]1CN(C)C[C@H]1NCc1ccn(C)n1 ZINC000335605705 177239636 /nfs/dbraw/zinc/23/96/36/177239636.db2.gz DDIOCOPDRCGGGC-GXSJLCMTSA-N 0 3 208.309 0.460 20 0 BCADHN C[C@@H]1CN(CCN2CCCC2=O)[C@@H](C)CN1C ZINC000334458746 177239933 /nfs/dbraw/zinc/23/99/33/177239933.db2.gz KOWRRYZCQLGWRG-NEPJUHHUSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CO ZINC000362069093 177244125 /nfs/dbraw/zinc/24/41/25/177244125.db2.gz DLOBPXFPAWVWPN-UWVGGRQHSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@H]1CN(CCN2CCCOCC2)CCO1 ZINC000337244981 177251401 /nfs/dbraw/zinc/25/14/01/177251401.db2.gz IEYOLOLPLCPSPL-LBPRGKRZSA-N 0 3 228.336 0.429 20 0 BCADHN C[C@H]1CN(CCN2CCC[C@@H](O)CC2)CCO1 ZINC000339787049 177251472 /nfs/dbraw/zinc/25/14/72/177251472.db2.gz KBHZAFUQWSEZDQ-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@H]1CN(CCN2CC[C@@H](CO)C2)CCO1 ZINC000337409341 177251546 /nfs/dbraw/zinc/25/15/46/177251546.db2.gz KTJBGOQTUHMZCN-NWDGAFQWSA-N 0 3 228.336 0.021 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1CCN1CCCC1=O ZINC000334458747 177251831 /nfs/dbraw/zinc/25/18/31/177251831.db2.gz KOWRRYZCQLGWRG-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@H]1CN(CCN2CCCC2=O)C[C@@H]1CO ZINC000362089390 177252055 /nfs/dbraw/zinc/25/20/55/177252055.db2.gz IHXPFZLXMJHJAR-WDEREUQCSA-N 0 3 226.320 0.169 20 0 BCADHN C[C@H]1CN(CCc2ccccn2)C[C@H]1O ZINC000351796549 177253684 /nfs/dbraw/zinc/25/36/84/177253684.db2.gz WKMOXYWADDEUSS-CMPLNLGQSA-N 0 3 206.289 0.937 20 0 BCADHN C[C@H]1CN(C[C@@H]2CNCCO2)CC(C)(C)O1 ZINC000041681561 177257098 /nfs/dbraw/zinc/25/70/98/177257098.db2.gz JNBLWOULTCBLFA-QWRGUYRKSA-N 0 3 228.336 0.474 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCN(CCO)[C@@H](C)C2)O1 ZINC000355236931 177258782 /nfs/dbraw/zinc/25/87/82/177258782.db2.gz IEQVDJOIPZTVAE-YNEHKIRRSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@H]1CN(Cc2cc[nH]n2)[C@@H](C)CN1C ZINC000336455967 177262519 /nfs/dbraw/zinc/26/25/19/177262519.db2.gz UUNRVSKZAGDQGK-UWVGGRQHSA-N 0 3 208.309 0.934 20 0 BCADHN C[C@H]1CN(Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC000351774179 177264423 /nfs/dbraw/zinc/26/44/23/177264423.db2.gz JVTWWYKVFWFGBW-JOYOIKCWSA-N 0 3 234.299 0.598 20 0 BCADHN C[C@@H]1CN(Cc2ccnn2C)C[C@H](C)N1C ZINC000293446669 177268338 /nfs/dbraw/zinc/26/83/38/177268338.db2.gz PBXKPPLKVKFKDF-PHIMTYICSA-N 0 3 222.336 0.945 20 0 BCADHN C[C@H]1CN(Cc2cnc3cnccn23)C[C@@H]1CO ZINC000361660255 177268789 /nfs/dbraw/zinc/26/87/89/177268789.db2.gz JWOTUNUFKVFZBM-WDEREUQCSA-N 0 3 246.314 0.790 20 0 BCADHN C[C@H]1CNCCN1C(=O)CCn1ccnc1 ZINC000054370197 177282589 /nfs/dbraw/zinc/28/25/89/177282589.db2.gz TWICMWUBKNAKRB-JTQLQIEISA-N 0 3 222.292 0.094 20 0 BCADHN C[C@@H]1CN(C(=O)c2csnn2)[C@@H](C)CN1 ZINC000083592119 177286869 /nfs/dbraw/zinc/28/68/69/177286869.db2.gz COTBGTOJOVVXTI-RQJHMYQMSA-N 0 3 226.305 0.361 20 0 BCADHN C[C@@H]1COCCN1CCN1CCOC[C@H](C)C1 ZINC000337193178 177288678 /nfs/dbraw/zinc/28/86/78/177288678.db2.gz VEISIFAXNXULLS-CHWSQXEVSA-N 0 3 242.363 0.675 20 0 BCADHN C[C@H]1COCCN1CCN1C[C@H](O)C(C)(C)C1 ZINC000337239025 177290991 /nfs/dbraw/zinc/29/09/91/177290991.db2.gz MOBQXXMQXRTBNQ-RYUDHWBXSA-N 0 3 242.363 0.410 20 0 BCADHN C[C@H]1COCCN1CCN(C)CCCCO ZINC000337186653 177291179 /nfs/dbraw/zinc/29/11/79/177291179.db2.gz DICCHBMQCPNBCV-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN C[C@H]1COCCN1C[C@@H](O)CN(C)C1CC1 ZINC000309481100 177293003 /nfs/dbraw/zinc/29/30/03/177293003.db2.gz VXQYSNSIBDNXRU-JQWIXIFHSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)[C@@H](C)CO1 ZINC000336646377 177300890 /nfs/dbraw/zinc/30/08/90/177300890.db2.gz DSUSXDRBHCOFRW-RNJXMRFFSA-N 0 3 236.262 0.605 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H](N)CC(F)F)[C@@H](C)CO1 ZINC000336646379 177300951 /nfs/dbraw/zinc/30/09/51/177300951.db2.gz DSUSXDRBHCOFRW-XLPZGREQSA-N 0 3 236.262 0.605 20 0 BCADHN C[C@H]1CS(=O)(=O)C[C@H]1N[C@@H]1CCCOC1 ZINC000329157422 177302683 /nfs/dbraw/zinc/30/26/83/177302683.db2.gz CKYHQAXHGZMAIP-IVZWLZJFSA-N 0 3 233.333 0.188 20 0 BCADHN C[C@H]1CSC[C@@H]1NC(=O)N(C)CCN(C)C ZINC000357733260 177305784 /nfs/dbraw/zinc/30/57/84/177305784.db2.gz DOTFKSHPVAVWOY-UWVGGRQHSA-N 0 3 245.392 0.941 20 0 BCADHN C[C@H]1C[C@@H](C(=O)N(C)CCN2CCCC2)CO1 ZINC000352499872 177307618 /nfs/dbraw/zinc/30/76/18/177307618.db2.gz IHDPQBFGJDGZGJ-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H]1C[C@@H](CNC2(C(N)=O)CC2)CCO1 ZINC000336755926 177324287 /nfs/dbraw/zinc/32/42/87/177324287.db2.gz JBLHQGGZJVEVBJ-IUCAKERBSA-N 0 3 212.293 0.409 20 0 BCADHN C[C@@H]1C[C@H](C)CN1CC(=O)N1CCOCC1 ZINC000336355302 177319411 /nfs/dbraw/zinc/31/94/11/177319411.db2.gz RQFDFSTZNWXKPJ-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@H]1C[C@@H](CN2CCN(CCO)CC2)CCO1 ZINC000352743316 177324329 /nfs/dbraw/zinc/32/43/29/177324329.db2.gz HQTJYJHFANAWSK-STQMWFEESA-N 0 3 242.363 0.411 20 0 BCADHN C[C@H]1C[C@@H](CN2C[C@@H]3COC[C@H](C2)O3)CCO1 ZINC000338379037 177324886 /nfs/dbraw/zinc/32/48/86/177324886.db2.gz ZCIYFMRTQGJLGG-ZDEQEGDKSA-N 0 3 241.331 0.901 20 0 BCADHN C[C@H]1C[C@@H](CNC(=O)C2(N)CCC2)CCO1 ZINC000335636823 177325136 /nfs/dbraw/zinc/32/51/36/177325136.db2.gz WIWFUGINKBBXMH-UWVGGRQHSA-N 0 3 226.320 0.799 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)NCCCO)CN1C1CC1 ZINC000130148076 177329893 /nfs/dbraw/zinc/32/98/93/177329893.db2.gz IOSFGRRYASMLEZ-VHSXEESVSA-N 0 3 241.335 0.293 20 0 BCADHN C[C@H]1C[C@@H](O)CN1CCc1ccnn1C ZINC000308774225 177336950 /nfs/dbraw/zinc/33/69/50/177336950.db2.gz IASHNCRKFIFGIC-GXSJLCMTSA-N 0 3 209.293 0.418 20 0 BCADHN C[C@H]1C[C@H](N(C)C(=O)C2(C)COC2)CCN1C ZINC000336498257 177363089 /nfs/dbraw/zinc/36/30/89/177363089.db2.gz GTINRJYDSACBJE-WDEREUQCSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cnnn2C)CN1C1CC1 ZINC000282952577 177368405 /nfs/dbraw/zinc/36/84/05/177368405.db2.gz ZISJVEQQHSMCLJ-IUCAKERBSA-N 0 3 249.318 0.170 20 0 BCADHN C[C@H]1C[C@H](O)CN1Cc1ccc(C(N)=O)cc1 ZINC000335935255 177373347 /nfs/dbraw/zinc/37/33/47/177373347.db2.gz XUPUBJOKMKCHEA-CABZTGNLSA-N 0 3 234.299 0.741 20 0 BCADHN C[C@H]1C[C@H]1CC(=O)NCCOCCN(C)C ZINC000355662744 177378391 /nfs/dbraw/zinc/37/83/91/177378391.db2.gz ZCWWSKGSARFGLS-QWRGUYRKSA-N 0 3 228.336 0.727 20 0 BCADHN C[C@H]1Cc2ccccc2N1CCNC(=O)CN ZINC000237583473 177390452 /nfs/dbraw/zinc/39/04/52/177390452.db2.gz KTOGVJBTJQZDBI-JTQLQIEISA-N 0 3 233.315 0.513 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCc1nnnn1C1CC1 ZINC000674881067 487641739 /nfs/dbraw/zinc/64/17/39/487641739.db2.gz QPMOKWJFKUVYIQ-SCZZXKLOSA-N 0 3 236.323 0.048 20 0 BCADHN CN(C)CCOCCNC(=O)N(C)CC1CC1 ZINC000471638360 225067238 /nfs/dbraw/zinc/06/72/38/225067238.db2.gz RYFLZBFULLPRCE-UHFFFAOYSA-N 0 3 243.351 0.616 20 0 BCADHN CN(C)CCOCCNC(=O)NCC(C)(C)C ZINC000471647224 225067638 /nfs/dbraw/zinc/06/76/38/225067638.db2.gz ZUCZKEDMTWDQGZ-UHFFFAOYSA-N 0 3 245.367 0.910 20 0 BCADHN CN(C)CCOCCNC(=O)NCC(F)F ZINC000471634403 225067894 /nfs/dbraw/zinc/06/78/94/225067894.db2.gz FOGDJXYCARXBPR-UHFFFAOYSA-N 0 3 239.266 0.129 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000478024187 225164192 /nfs/dbraw/zinc/16/41/92/225164192.db2.gz DWCSKLUFONJGPH-HKLXJQGRSA-N 0 3 238.331 0.620 20 0 BCADHN C[C@H]1CN(C)C[C@H]1C(=O)N1CCC(=O)[C@H](C)C1 ZINC000487081978 225286288 /nfs/dbraw/zinc/28/62/88/225286288.db2.gz APHAJMKTSMKBJV-HBNTYKKESA-N 0 3 238.331 0.622 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1C(=O)NC[C@H]1CCCC1=O ZINC000487360527 225301655 /nfs/dbraw/zinc/30/16/55/225301655.db2.gz BSYPUFLTZLOLLZ-GMTAPVOTSA-N 0 3 238.331 0.670 20 0 BCADHN CCn1ncnc1CN1CCN(C)[C@H](C)[C@@H]1C ZINC000488169170 225353820 /nfs/dbraw/zinc/35/38/20/225353820.db2.gz ZDXXZDJSQCBRSS-MNOVXSKESA-N 0 3 237.351 0.822 20 0 BCADHN OCC1(O)CCN(CCc2ccccn2)CC1 ZINC000313636425 487644499 /nfs/dbraw/zinc/64/44/99/487644499.db2.gz UEAYMFRSJKUKPD-UHFFFAOYSA-N 0 3 236.315 0.443 20 0 BCADHN COCCN(C[C@@H]1C[C@H]1C)[C@H](C)C(N)=O ZINC000488304771 225365353 /nfs/dbraw/zinc/36/53/53/225365353.db2.gz YJAPVFLVCKUSKR-BBBLOLIVSA-N 0 3 214.309 0.465 20 0 BCADHN CC(C)CCOCCN1CCC(O)(CO)CC1 ZINC000313664888 487647089 /nfs/dbraw/zinc/64/70/89/487647089.db2.gz HCVGOBZTLQWISB-UHFFFAOYSA-N 0 3 245.363 0.868 20 0 BCADHN OCC1(O)CCN(CCCCCF)CC1 ZINC000313665268 487646882 /nfs/dbraw/zinc/64/68/82/487646882.db2.gz WYGOZVVYXNRXEZ-UHFFFAOYSA-N 0 3 219.300 0.945 20 0 BCADHN C[C@H]1CC[C@H](CN2CCC(O)(CO)CC2)O1 ZINC000313670294 487646970 /nfs/dbraw/zinc/64/69/70/487646970.db2.gz MOVFWWFWEWQTGU-WDEREUQCSA-N 0 3 229.320 0.373 20 0 BCADHN CN(C)C/C=C/C(=O)NCCc1cnccn1 ZINC000492022194 225910124 /nfs/dbraw/zinc/91/01/24/225910124.db2.gz VMTNIGMEAXCCGD-ONEGZZNKSA-N 0 3 234.303 0.253 20 0 BCADHN CN(C)C/C=C/C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000492512040 226011347 /nfs/dbraw/zinc/01/13/47/226011347.db2.gz XHXIKOZFXDYNQV-SPXIEQKPSA-N 0 3 238.331 0.334 20 0 BCADHN CN(C)C/C=C/C(=O)NCCc1ccn(C)n1 ZINC000492622295 226029324 /nfs/dbraw/zinc/02/93/24/226029324.db2.gz JFMWISLLTXFXAM-SNAWJCMRSA-N 0 3 236.319 0.197 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)C[C@@H]1CCCO1 ZINC000492648347 226032895 /nfs/dbraw/zinc/03/28/95/226032895.db2.gz OFSYTHSHUBKHGL-IBHLPDHGSA-N 0 3 226.320 0.742 20 0 BCADHN CN(C)C/C=C/C(=O)NCC1(CCO)CC1 ZINC000492688355 226037638 /nfs/dbraw/zinc/03/76/38/226037638.db2.gz JLRRUVYJXUXNSK-ONEGZZNKSA-N 0 3 226.320 0.383 20 0 BCADHN CN(C)C/C=C/C(=O)N(CC(C)(C)O)C1CC1 ZINC000492690481 226037671 /nfs/dbraw/zinc/03/76/71/226037671.db2.gz PRMCUNXBNFRXFB-AATRIKPKSA-N 0 3 240.347 0.866 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)C=Cc2c[nH]cn2)C1 ZINC000492763250 226047936 /nfs/dbraw/zinc/04/79/36/226047936.db2.gz IYSSEHNMYQBDOU-BYCRGOAPSA-N 0 3 234.303 0.585 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCn2nccc21 ZINC000492797579 226054694 /nfs/dbraw/zinc/05/46/94/226054694.db2.gz RQSAAGVFFVGCIS-ONEGZZNKSA-N 0 3 220.276 0.348 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000492910361 226080775 /nfs/dbraw/zinc/08/07/75/226080775.db2.gz IYNOOXPIJVJPRF-ONDVGXNJSA-N 0 3 240.347 0.772 20 0 BCADHN CN(C)C/C=C/C(=O)N1CC[C@H](OC(F)F)C1 ZINC000492906564 226081785 /nfs/dbraw/zinc/08/17/85/226081785.db2.gz BKIJAMCAQWDJLM-NWALNABHSA-N 0 3 248.273 0.944 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@@H](O)c1ccco1 ZINC000492960215 226091735 /nfs/dbraw/zinc/09/17/35/226091735.db2.gz WXHLXEBZHCYKEF-XICOKMJESA-N 0 3 238.287 0.547 20 0 BCADHN CN(C)C/C=C\C(=O)N(C1CC1)C1COC1 ZINC000492995975 226099156 /nfs/dbraw/zinc/09/91/56/226099156.db2.gz VPTJUWADZSPUOP-ARJAWSKDSA-N 0 3 224.304 0.494 20 0 BCADHN C[C@H](F)CCNC(=O)/C=C/CN(C)C ZINC000493024634 226107413 /nfs/dbraw/zinc/10/74/13/226107413.db2.gz NORKTODKIFQUOA-MOVJSRMASA-N 0 3 202.273 0.969 20 0 BCADHN O=C(/C=C/c1ncc[nH]1)N[C@@H]1CCN(C2CC2)C1 ZINC000493148777 226139658 /nfs/dbraw/zinc/13/96/58/226139658.db2.gz GNVRSZGDRXNLNU-HMDXOVGESA-N 0 3 246.314 0.776 20 0 BCADHN O=C(/C=C/c1cccnc1)NC[C@@H]1CNCCO1 ZINC000493191356 226149968 /nfs/dbraw/zinc/14/99/68/226149968.db2.gz BYBRCJIDKOCQJD-PCAWENJQSA-N 0 3 247.298 0.199 20 0 BCADHN COC(CN1CCC2(COC(=O)N2)CC1)OC ZINC000495552189 226282219 /nfs/dbraw/zinc/28/22/19/226282219.db2.gz AHSGTHKFMPAEQN-UHFFFAOYSA-N 0 3 244.291 0.180 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@H](O)C1CCC1 ZINC000493382614 226200946 /nfs/dbraw/zinc/20/09/46/226200946.db2.gz IMEQOMPZLYZSMI-IBHLPDHGSA-N 0 3 226.320 0.381 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)/C=C\c1ncc[nH]1 ZINC000493545055 226241635 /nfs/dbraw/zinc/24/16/35/226241635.db2.gz CNQDZGHCZGXWAT-ISALQUGTSA-N 0 3 248.330 0.976 20 0 BCADHN O=C(/C=C\C1CCCC1)NC[C@H]1CNCCO1 ZINC000493584692 226244550 /nfs/dbraw/zinc/24/45/50/226244550.db2.gz NESMWGWWBFILRT-FOQNGQEVSA-N 0 3 238.331 0.837 20 0 BCADHN O=C(/C=C/C1CCCC1)NC[C@@H]1CNCCO1 ZINC000493584693 226244697 /nfs/dbraw/zinc/24/46/97/226244697.db2.gz NESMWGWWBFILRT-FYJFLYSWSA-N 0 3 238.331 0.837 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)[C@@H]1CCC[C@H]1O ZINC000493632931 226247007 /nfs/dbraw/zinc/24/70/07/226247007.db2.gz WQNGQBWMFKCFTA-UGMIWWEVSA-N 0 3 226.320 0.476 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCC[C@@H]1CCO ZINC000493659373 226247264 /nfs/dbraw/zinc/24/72/64/226247264.db2.gz VCVBUXUJLFNSSU-DUMNWFOQSA-N 0 3 226.320 0.478 20 0 BCADHN CN(C)C/C=C/C(=O)NCCCCF ZINC000493700312 226250083 /nfs/dbraw/zinc/25/00/83/226250083.db2.gz 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487672461 /nfs/dbraw/zinc/67/24/61/487672461.db2.gz RKZABJFMNJZNKF-SNVBAGLBSA-N 0 3 240.347 0.938 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@H](C)[C@H]1CO ZINC000512446874 229346786 /nfs/dbraw/zinc/34/67/86/229346786.db2.gz IGNXNWBKGRWHDA-GARJFASQSA-N 0 3 243.351 0.349 20 0 BCADHN Cc1ccc(C(=O)NC[C@@H](C)[NH3+])c([O-])c1 ZINC000082574311 487676840 /nfs/dbraw/zinc/67/68/40/487676840.db2.gz VMAIDQQOFBDLLQ-MRVPVSSYSA-N 0 3 208.261 0.778 20 0 BCADHN CNCC(=O)NC[C@H](O)C1CCCCC1 ZINC000151976930 487681533 /nfs/dbraw/zinc/68/15/33/487681533.db2.gz UPYNCYXJPZCROU-JTQLQIEISA-N 0 3 214.309 0.263 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000054075389 487681830 /nfs/dbraw/zinc/68/18/30/487681830.db2.gz XIWHNEYMKZQNEX-VHSXEESVSA-N 0 3 236.319 0.724 20 0 BCADHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)C(=O)NC1CC1 ZINC000035735659 487682617 /nfs/dbraw/zinc/68/26/17/487682617.db2.gz INDZEVQFJAIZGN-QXEWZRGKSA-N 0 3 226.320 0.811 20 0 BCADHN CC[C@H](C)NC(=O)COC1(C)CNC1 ZINC000163071633 487683383 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219.288 0.840 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NCC(=O)NC1CC1 ZINC000163332062 487713106 /nfs/dbraw/zinc/71/31/06/487713106.db2.gz JVWNJRCBZCUDNE-RKDXNWHRSA-N 0 3 212.293 0.014 20 0 BCADHN CO[C@@H](C)CN(C)CC[C@@H]1CCS(=O)(=O)C1 ZINC000671737456 487715728 /nfs/dbraw/zinc/71/57/28/487715728.db2.gz VHADRHJJQXSPLT-WDEREUQCSA-N 0 3 249.376 0.778 20 0 BCADHN C[C@H](COCC1CC1)NC(=O)NCCN(C)C ZINC000651369088 487716499 /nfs/dbraw/zinc/71/64/99/487716499.db2.gz NDKHOAXKSFEFRL-SNVBAGLBSA-N 0 3 243.351 0.662 20 0 BCADHN COC1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000098060627 487717416 /nfs/dbraw/zinc/71/74/16/487717416.db2.gz KZLCBVLQDULALJ-UHFFFAOYSA-N 0 3 242.319 0.002 20 0 BCADHN C[C@@H](N[C@H]1CCCN(C)C1)c1ccc(=O)[nH]n1 ZINC000671742461 487718019 /nfs/dbraw/zinc/71/80/19/487718019.db2.gz RUQYUIUUYDMYQZ-ZJUUUORDSA-N 0 3 236.319 0.927 20 0 BCADHN CC[C@@H](CO)NC[C@@H](O)C(F)(F)F ZINC000082680767 487718387 /nfs/dbraw/zinc/71/83/87/487718387.db2.gz VVYQWASMDNIJJU-NTSWFWBYSA-N 0 3 201.188 0.270 20 0 BCADHN Cc1nc(N)nc(N[C@@H]2CCN(C)[C@@H](C)C2)n1 ZINC000383608080 487719963 /nfs/dbraw/zinc/71/99/63/487719963.db2.gz RXMAUPQLDNKZRP-IONNQARKSA-N 0 3 236.323 0.657 20 0 BCADHN CC1(OCC(=O)NCCc2cccnc2)CNC1 ZINC000098061608 487720645 /nfs/dbraw/zinc/72/06/45/487720645.db2.gz IBXHRTFWZFBLNG-UHFFFAOYSA-N 0 3 249.314 0.119 20 0 BCADHN O=C(CCCF)NCCCN1CCC(O)CC1 ZINC000668895792 487725492 /nfs/dbraw/zinc/72/54/92/487725492.db2.gz RIUMAXGXNFIMAS-UHFFFAOYSA-N 0 3 246.326 0.699 20 0 BCADHN CCNC(=S)N[C@H]1CCN(CCOC)C1 ZINC000730734623 584914708 /nfs/dbraw/zinc/91/47/08/584914708.db2.gz WRENVSIJTDVCCW-VIFPVBQESA-N 0 3 231.365 0.191 20 0 BCADHN CN1CCN(C[C@H]2CNCCO2)c2ccccc21 ZINC000250364462 487730541 /nfs/dbraw/zinc/73/05/41/487730541.db2.gz FDZFGMRZNBRINI-GFCCVEGCSA-N 0 3 247.342 0.931 20 0 BCADHN C[C@H](O)CCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000683978796 487732739 /nfs/dbraw/zinc/73/27/39/487732739.db2.gz DRSOAAWYIYYWSM-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN CN(C[C@@H]1CCCO1)C[C@H]1CNCCO1 ZINC000250490658 487732944 /nfs/dbraw/zinc/73/29/44/487732944.db2.gz XZLKAQQXDAOYEH-WDEREUQCSA-N 0 3 214.309 0.086 20 0 BCADHN C[C@H](CNc1ncnc2c1OCCN2)N(C)C ZINC000665695085 487733187 /nfs/dbraw/zinc/73/31/87/487733187.db2.gz PSCGJRAVYYPJLH-MRVPVSSYSA-N 0 3 237.307 0.643 20 0 BCADHN CCO[C@@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000250567703 487733193 /nfs/dbraw/zinc/73/31/93/487733193.db2.gz VJYRSVBADVJKNG-VXGBXAGGSA-N 0 3 228.336 0.476 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)C(C)(C)O ZINC000673689625 487734281 /nfs/dbraw/zinc/73/42/81/487734281.db2.gz CSRNCNXIZKBOJO-SECBINFHSA-N 0 3 216.325 0.604 20 0 BCADHN O=C(CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)NC1CC1 ZINC000398909630 487735649 /nfs/dbraw/zinc/73/56/49/487735649.db2.gz NXHSXFNLXMHWIA-UMNHJUIQSA-N 0 3 238.331 0.358 20 0 BCADHN CCN(C)C(=O)C1(N)Cc2ccccc2C1 ZINC000155149216 487735697 /nfs/dbraw/zinc/73/56/97/487735697.db2.gz YHPBCFBLUXQRMA-UHFFFAOYSA-N 0 3 218.300 0.961 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000675482451 487740002 /nfs/dbraw/zinc/74/00/02/487740002.db2.gz HNIURKMQGPFMDD-MWLCHTKSSA-N 0 3 249.314 0.857 20 0 BCADHN Cc1c[nH]nc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000669600753 487741230 /nfs/dbraw/zinc/74/12/30/487741230.db2.gz KHDDFAKHJHBZFX-VIFPVBQESA-N 0 3 236.319 0.931 20 0 BCADHN CO[C@@H](C)[C@@H](C)NC[C@@H](O)C(F)(F)F ZINC000222631058 487742365 /nfs/dbraw/zinc/74/23/65/487742365.db2.gz AUNASWRLFWRGOM-DSYKOEDSSA-N 0 3 215.215 0.923 20 0 BCADHN CCn1nccc1CN[C@@H](C)CC(=O)N(C)C ZINC000310520698 487742920 /nfs/dbraw/zinc/74/29/20/487742920.db2.gz LWAYANSFTZHJBS-JTQLQIEISA-N 0 3 238.335 0.859 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000163550409 487744676 /nfs/dbraw/zinc/74/46/76/487744676.db2.gz WLXIKCOBZCLAEZ-GMTAPVOTSA-N 0 3 228.336 0.780 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000163554960 487744734 /nfs/dbraw/zinc/74/47/34/487744734.db2.gz WKDXEYNDXYLICC-DBIOUOCHSA-N 0 3 226.320 0.796 20 0 BCADHN COCCN1CC[C@H](NC(=O)CCCF)C1 ZINC000668435375 487749065 /nfs/dbraw/zinc/74/90/65/487749065.db2.gz FARFBYDXHZGUOR-JTQLQIEISA-N 0 3 232.299 0.573 20 0 BCADHN CN1CCC[C@@H](NC(=O)[C@H]2CCSC2)C1 ZINC000675565741 487748817 /nfs/dbraw/zinc/74/88/17/487748817.db2.gz WJGOFJNWBVVFJV-VHSXEESVSA-N 0 3 228.361 0.950 20 0 BCADHN Cc1c[nH]nc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000669602798 487749837 /nfs/dbraw/zinc/74/98/37/487749837.db2.gz SNMURNSJDIAMLP-JTQLQIEISA-N 0 3 236.319 0.790 20 0 BCADHN Cc1ccc(C(=O)NCCN2CC[C@H](C)C2)nn1 ZINC000665749049 487755133 /nfs/dbraw/zinc/75/51/33/487755133.db2.gz KSWMEGZBQNQDPZ-JTQLQIEISA-N 0 3 248.330 0.857 20 0 BCADHN CN(CCNC(=O)C1(O)CCC1)C1CC1 ZINC000681247014 487759512 /nfs/dbraw/zinc/75/95/12/487759512.db2.gz DMNRPCLPFPMIPR-UHFFFAOYSA-N 0 3 212.293 0.112 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000234046619 487760062 /nfs/dbraw/zinc/76/00/62/487760062.db2.gz LMPLAKVUFQPQNK-VGMNWLOBSA-N 0 3 200.282 0.407 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000684086023 487761459 /nfs/dbraw/zinc/76/14/59/487761459.db2.gz RWGKWCTVUJHZGX-NSHDSACASA-N 0 3 237.347 0.245 20 0 BCADHN CN(C)CCNC(=O)NC1CCOCC1 ZINC000062065889 487762365 /nfs/dbraw/zinc/76/23/65/487762365.db2.gz MPVKCELQAFWRLZ-UHFFFAOYSA-N 0 3 215.297 0.026 20 0 BCADHN C[C@H](CO)CN1C[C@@H](CO)OC(C)(C)C1 ZINC000228938921 487764011 /nfs/dbraw/zinc/76/40/11/487764011.db2.gz ZUTKAVYTDKEAFO-UWVGGRQHSA-N 0 3 217.309 0.087 20 0 BCADHN Cc1cc(CN[C@H]2CCCN(C)C2)nn1C ZINC000666232796 487765615 /nfs/dbraw/zinc/76/56/15/487765615.db2.gz ZOIAHLUQUKDLQN-NSHDSACASA-N 0 3 222.336 0.912 20 0 BCADHN CO[C@H](C(=O)NC[C@@H](C)N(C)C)C1CCC1 ZINC000666243393 487767899 /nfs/dbraw/zinc/76/78/99/487767899.db2.gz HJALSSKRBSJISD-KOLCDFICSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H](CNC(=O)c1ccnn1C(F)F)N(C)C ZINC000666244508 487768739 /nfs/dbraw/zinc/76/87/39/487768739.db2.gz ZFHKPIXNSJNVDJ-SSDOTTSWSA-N 0 3 246.261 0.958 20 0 BCADHN CCCn1nccc1C(=O)NC[C@@H](C)N(C)C ZINC000666244119 487768754 /nfs/dbraw/zinc/76/87/54/487768754.db2.gz RRGCNSCAFCQTLY-SNVBAGLBSA-N 0 3 238.335 0.973 20 0 BCADHN C[C@H]1C[C@@H]1CN1CC(N2CC[C@@H](O)C2)C1 ZINC000651977501 487773281 /nfs/dbraw/zinc/77/32/81/487773281.db2.gz NDHIHEGVQJCWLE-HOSYDEDBSA-N 0 3 210.321 0.393 20 0 BCADHN CC(=O)NCCCN1CCN(C)[C@H](C)C1 ZINC000761077606 585405814 /nfs/dbraw/zinc/40/58/14/585405814.db2.gz NFLQLTVDMSAYHY-SNVBAGLBSA-N 0 3 213.325 0.149 20 0 BCADHN CN(C)Cc1cccc(NC(=O)[C@H]2CC(=O)N2)c1 ZINC000666283340 487779866 /nfs/dbraw/zinc/77/98/66/487779866.db2.gz WLPZNLASJVNQDI-LLVKDONJSA-N 0 3 247.298 0.575 20 0 BCADHN CC[C@H](C(=O)N(C)Cc1cn[nH]c1)N(C)C ZINC000675797738 487780399 /nfs/dbraw/zinc/78/03/99/487780399.db2.gz RDAGXDINRZMHNJ-SNVBAGLBSA-N 0 3 224.308 0.708 20 0 BCADHN C[C@H](CNC(=O)NC[C@H]1CNCCO1)C1CC1 ZINC000669412149 487785008 /nfs/dbraw/zinc/78/50/08/487785008.db2.gz BYZNSCJCFJYPMN-MWLCHTKSSA-N 0 3 241.335 0.320 20 0 BCADHN C[C@H](N[C@@H](CO)CC1CC1)c1ccc(=O)[nH]n1 ZINC000671754128 487790444 /nfs/dbraw/zinc/79/04/44/487790444.db2.gz SWTWEIBKLUQSFC-WCBMZHEXSA-N 0 3 237.303 0.994 20 0 BCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000408119932 487791733 /nfs/dbraw/zinc/79/17/33/487791733.db2.gz AYNFMZVWCYYVIN-GXSJLCMTSA-N 0 3 241.335 0.064 20 0 BCADHN C[C@H](CNCC[C@@H](O)C(F)F)S(C)(=O)=O ZINC000634726308 487794565 /nfs/dbraw/zinc/79/45/65/487794565.db2.gz PXWVICVBEPHIRV-RNFRBKRXSA-N 0 3 245.291 0.025 20 0 BCADHN C1CN([C@H]2CCCOC2)C[C@H]1N1CCOCC1 ZINC000674302628 487799881 /nfs/dbraw/zinc/79/98/81/487799881.db2.gz PLDLTEMVFQYNDU-STQMWFEESA-N 0 3 240.347 0.572 20 0 BCADHN CN(C)C1(C(=O)NCCN2CCCCC2)CC1 ZINC000666424260 487804890 /nfs/dbraw/zinc/80/48/90/487804890.db2.gz KCGCAQVBESZRLO-UHFFFAOYSA-N 0 3 239.363 0.683 20 0 BCADHN CSCCN1CCC2(CNC(=O)O2)CC1 ZINC000781996967 585806162 /nfs/dbraw/zinc/80/61/62/585806162.db2.gz OIYWXVZRHIWGCI-UHFFFAOYSA-N 0 3 230.333 0.924 20 0 BCADHN CCNC(=O)CCN1CC[C@H](n2cncn2)C1 ZINC000681601777 487821387 /nfs/dbraw/zinc/82/13/87/487821387.db2.gz RESBFFXLFUASPA-JTQLQIEISA-N 0 3 237.307 0.051 20 0 BCADHN Cc1cc(C(=O)NCC2(N(C)C)CC2)c(C)nn1 ZINC000668051831 487822003 /nfs/dbraw/zinc/82/20/03/487822003.db2.gz BQVPGDXZHRYTFA-UHFFFAOYSA-N 0 3 248.330 0.917 20 0 BCADHN CC(C)OCCN1CC[C@H](n2cncn2)C1 ZINC000681604875 487822622 /nfs/dbraw/zinc/82/26/22/487822622.db2.gz LCWZLAJLPLWXQD-NSHDSACASA-N 0 3 224.308 0.950 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CC[S@@](=O)[C@H](C)C1 ZINC000569337444 322943417 /nfs/dbraw/zinc/94/34/17/322943417.db2.gz AIQRKSHONDBSCU-ZESJGQACSA-N 0 3 246.376 0.339 20 0 BCADHN CCOCCCN1CC[C@@H](n2cncn2)C1 ZINC000681606179 487824746 /nfs/dbraw/zinc/82/47/46/487824746.db2.gz LGJFZYSOLPZSDR-LLVKDONJSA-N 0 3 224.308 0.952 20 0 BCADHN CO[C@H](C)CNC[C@@H](O)C(F)(F)F ZINC000224188570 487825147 /nfs/dbraw/zinc/82/51/47/487825147.db2.gz ZYUVQPAXTCCYSR-PHDIDXHHSA-N 0 3 201.188 0.534 20 0 BCADHN OCCNCc1ccnn1-c1ccccn1 ZINC000647168218 487826896 /nfs/dbraw/zinc/82/68/96/487826896.db2.gz MMDRWOLLJJULPZ-UHFFFAOYSA-N 0 3 218.260 0.349 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@H]([C@@H](C)O)C1 ZINC000305177618 487826967 /nfs/dbraw/zinc/82/69/67/487826967.db2.gz MDEBEEJHCBWEGP-OPRDCNLKSA-N 0 3 214.309 0.343 20 0 BCADHN Cc1ncccc1CNC[C@@H]1CCC(=O)N1 ZINC000309283930 487827756 /nfs/dbraw/zinc/82/77/56/487827756.db2.gz UWBFZWLLGJLJDU-NSHDSACASA-N 0 3 219.288 0.758 20 0 BCADHN CC(=O)CCN(CCO)[C@H]1CCO[C@H]1C ZINC000796576573 586107515 /nfs/dbraw/zinc/10/75/15/586107515.db2.gz YCGXJTMHXPILEP-QWRGUYRKSA-N 0 3 215.293 0.437 20 0 BCADHN CON(C)C(=O)CCN1CCSC[C@@H]1C ZINC000799124519 586160048 /nfs/dbraw/zinc/16/00/48/586160048.db2.gz MCENXDFBIMTWMH-VIFPVBQESA-N 0 3 232.349 0.834 20 0 BCADHN CN(CCCO)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000799364784 586174627 /nfs/dbraw/zinc/17/46/27/586174627.db2.gz MRIDVCTXOPYGMX-VIFPVBQESA-N 0 3 213.277 0.396 20 0 BCADHN CN(C)CCNC(=S)NC1(C(F)F)CC1 ZINC000799910252 586202269 /nfs/dbraw/zinc/20/22/69/586202269.db2.gz MLCLENUKRLNJOE-UHFFFAOYSA-N 0 3 237.319 0.810 20 0 BCADHN O[C@H](CN[C@H]1CCC[C@H]1F)Cn1cccn1 ZINC000564443833 322945779 /nfs/dbraw/zinc/94/57/79/322945779.db2.gz ONWWUWJTZVCBNM-MXWKQRLJSA-N 0 3 227.283 0.724 20 0 BCADHN CCN(C)CCNC(=O)C=Cc1c[nH]cn1 ZINC000492901459 527794598 /nfs/dbraw/zinc/79/45/98/527794598.db2.gz PIOVQCSJMNDQKS-PLNGDYQASA-N 0 3 222.292 0.491 20 0 BCADHN CC(C)OC(=O)NC[C@H]1CCCCN1CCO ZINC000496240877 527823926 /nfs/dbraw/zinc/82/39/26/527823926.db2.gz ZWCGQRBNZGHYHT-LLVKDONJSA-N 0 3 244.335 0.968 20 0 BCADHN CN(CCNc1nc(C(N)=O)cs1)C1CC1 ZINC000292590615 487832983 /nfs/dbraw/zinc/83/29/83/487832983.db2.gz VCEGYDKEHJBWIM-UHFFFAOYSA-N 0 3 240.332 0.748 20 0 BCADHN C[S@@](=O)CCN1CC[C@H](CCCO)C1 ZINC000828613311 587453993 /nfs/dbraw/zinc/45/39/93/587453993.db2.gz BBQYCCDNFZLIKY-IINYFYTJSA-N 0 3 219.350 0.459 20 0 BCADHN CNC(=O)CCCN1CCC[C@@H]2COC[C@@H]21 ZINC000653760328 487837141 /nfs/dbraw/zinc/83/71/41/487837141.db2.gz RURDXTUYSKYUSB-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN CCNC(=O)CN(C)[C@@H]1CC[C@@H](OC)C1 ZINC000851731569 588619718 /nfs/dbraw/zinc/61/97/18/588619718.db2.gz UORZXZXFYRBYAM-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN COCCNCCNC(=O)Nc1nccs1 ZINC000666610122 487841925 /nfs/dbraw/zinc/84/19/25/487841925.db2.gz LBZUZZCDRSEUCN-UHFFFAOYSA-N 0 3 244.320 0.501 20 0 BCADHN CCN(C[C@@H](C)CO)C[C@@H](O)C(F)(F)F ZINC000681697988 487843062 /nfs/dbraw/zinc/84/30/62/487843062.db2.gz MKCFLRXZMSFJDG-HTQZYQBOSA-N 0 3 229.242 0.860 20 0 BCADHN CC(F)(F)C(=O)[N-]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000852881082 588711006 /nfs/dbraw/zinc/71/10/06/588711006.db2.gz HCUZHLQLAMZPJC-WDSKDSINSA-N 0 3 210.199 0.458 20 0 BCADHN C[C@H](CO)CN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000681708901 487845190 /nfs/dbraw/zinc/84/51/90/487845190.db2.gz JTHCYZPFJWIKLZ-KXUCPTDWSA-N 0 3 214.309 0.201 20 0 BCADHN CC[C@]1(O)CCN(CCn2ccccc2=O)C1 ZINC000681709308 487844910 /nfs/dbraw/zinc/84/49/10/487844910.db2.gz FNQFNXPPTGYARA-ZDUSSCGKSA-N 0 3 236.315 0.695 20 0 BCADHN Cn1cc(CCN2CCCC[C@H]2CO)cn1 ZINC000077251049 487846159 /nfs/dbraw/zinc/84/61/59/487846159.db2.gz TWNPTENWGZYHND-LBPRGKRZSA-N 0 3 223.320 0.809 20 0 BCADHN CC[C@H](N)C(=O)N(CC)[C@H]1CCCOC1 ZINC000402711745 487846706 /nfs/dbraw/zinc/84/67/06/487846706.db2.gz RXWHMJZEOMPURX-UWVGGRQHSA-N 0 3 214.309 0.751 20 0 BCADHN CCN(C#N)CCN1CC[C@H](O)C1(C)C ZINC000878634407 590598177 /nfs/dbraw/zinc/59/81/77/590598177.db2.gz FQLLGPQYMKQTFJ-JTQLQIEISA-N 0 3 211.309 0.635 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCN(C)C1 ZINC000130248596 591450998 /nfs/dbraw/zinc/45/09/98/591450998.db2.gz HYRMJHDETCSCIE-ZJUUUORDSA-N 0 3 234.365 0.103 20 0 BCADHN C[N@@H+](CCCF)CCCOC(=O)N=C(N)[O-] ZINC000887141422 592457142 /nfs/dbraw/zinc/45/71/42/592457142.db2.gz SOAYXBADWJIGJF-UHFFFAOYSA-N 0 3 235.259 0.473 20 0 BCADHN CCC[C@H](C)N(C)C(=O)[C@@H](N)CCOC ZINC000052791530 632489856 /nfs/dbraw/zinc/48/98/56/632489856.db2.gz VAPDQSKKYAMWQO-UWVGGRQHSA-N 0 3 216.325 0.997 20 0 BCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccncn1 ZINC000681727132 487849325 /nfs/dbraw/zinc/84/93/25/487849325.db2.gz OMSRJQDCFNPRKG-LLVKDONJSA-N 0 3 246.314 0.691 20 0 BCADHN COC[C@@H]1CCCN1CC(=O)N1CCCC1 ZINC000674469406 487854623 /nfs/dbraw/zinc/85/46/23/487854623.db2.gz IEFFKCNHZNYGCK-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN CC[C@](C)(NCCc1cccnc1)C(N)=O ZINC000303336885 487860698 /nfs/dbraw/zinc/86/06/98/487860698.db2.gz WJPXTZVFUHVKSV-LBPRGKRZSA-N 0 3 221.304 0.868 20 0 BCADHN CCCC[C@H](C)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000668506038 487861515 /nfs/dbraw/zinc/86/15/15/487861515.db2.gz FVGGYQPCQSTSST-AXFHLTTASA-N 0 3 249.376 0.967 20 0 BCADHN C[C@H](CN1CCO[C@H](C(N)=O)C1)C(C)(C)C ZINC000670263194 487862225 /nfs/dbraw/zinc/86/22/25/487862225.db2.gz QJVBCDMHGMEGEE-ZJUUUORDSA-N 0 3 228.336 0.855 20 0 BCADHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc[nH]1 ZINC000681786682 487862758 /nfs/dbraw/zinc/86/27/58/487862758.db2.gz QZIOTWAXWJXXQP-LBPRGKRZSA-N 0 3 239.319 0.447 20 0 BCADHN CCCN1CC[C@H](NC(=O)NC[C@H](C)OC)C1 ZINC000661686073 487864715 /nfs/dbraw/zinc/86/47/15/487864715.db2.gz FKPDMFGRABPESV-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN COC(=O)C1CCN(C[C@H](O)CSC)CC1 ZINC000187731640 322959300 /nfs/dbraw/zinc/95/93/00/322959300.db2.gz ZSBNBXOPUDHQMW-JTQLQIEISA-N 0 3 247.360 0.595 20 0 BCADHN COC[C@@H]1CCCN(C(=O)CNC(C)C)C1 ZINC000234714901 487866289 /nfs/dbraw/zinc/86/62/89/487866289.db2.gz JUBOPBXUHWPYGI-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN COCc1nnc(C[NH2+]C[C@H]2C[C@H]2C)[n-]1 ZINC000668510165 487867093 /nfs/dbraw/zinc/86/70/93/487867093.db2.gz OFWAKVSXRMTDRR-HTQZYQBOSA-N 0 3 210.281 0.697 20 0 BCADHN COCc1nnc(C[NH2+]C[C@@H]2C[C@@H]2C)[n-]1 ZINC000668510168 487867016 /nfs/dbraw/zinc/86/70/16/487867016.db2.gz OFWAKVSXRMTDRR-YUMQZZPRSA-N 0 3 210.281 0.697 20 0 BCADHN COCCN(CCOC)CC[C@@H]1CCNC1=O ZINC000564402194 322959888 /nfs/dbraw/zinc/95/98/88/322959888.db2.gz BHHNKMKPSHQLLO-NSHDSACASA-N 0 3 244.335 0.107 20 0 BCADHN CN1C[C@@H]2CCN(Cc3cnn4c3CCC4)[C@@H]2C1 ZINC000668186943 487868514 /nfs/dbraw/zinc/86/85/14/487868514.db2.gz UCENNUSSNZQSQS-SMDDNHRTSA-N 0 3 246.358 0.965 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2Cc2cnc3n2CCC3)C1 ZINC000668186516 487869095 /nfs/dbraw/zinc/86/90/95/487869095.db2.gz KWEIDMPLJANZMY-AAEUAGOBSA-N 0 3 246.358 0.965 20 0 BCADHN CCCN(C)C(=O)c1ccn(CCN(C)C)n1 ZINC000564467038 322962307 /nfs/dbraw/zinc/96/23/07/322962307.db2.gz YREMLKKQROCWBD-UHFFFAOYSA-N 0 3 238.335 0.927 20 0 BCADHN CCN1C[C@H](N[C@@H]2CO[C@@H](C3CC3)C2)CC1=O ZINC000668217535 487879606 /nfs/dbraw/zinc/87/96/06/487879606.db2.gz JXSDCPPMLZROEF-GRYCIOLGSA-N 0 3 238.331 0.764 20 0 BCADHN Cn1nncc1CN[C@@H](C1CC1)C(C)(C)CO ZINC000559443285 322976198 /nfs/dbraw/zinc/97/61/98/322976198.db2.gz FJSCVHBHCFWHHV-NSHDSACASA-N 0 3 238.335 0.702 20 0 BCADHN CCCN1CC[C@H](NC(=O)NC/C=C\CO)C1 ZINC000666919790 487881775 /nfs/dbraw/zinc/88/17/75/487881775.db2.gz FJGLZPPGJFRZPG-BYCRGOAPSA-N 0 3 241.335 0.318 20 0 BCADHN C[C@H](CO)CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000682030857 487884082 /nfs/dbraw/zinc/88/40/82/487884082.db2.gz DMWFOHOPHFMGFC-RYUDHWBXSA-N 0 3 244.379 0.392 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N(C)C[C@H](C)O)C1 ZINC000666925255 487885187 /nfs/dbraw/zinc/88/51/87/487885187.db2.gz VAOKKDNIFMJWGD-WDEREUQCSA-N 0 3 243.351 0.493 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000669446529 487891072 /nfs/dbraw/zinc/89/10/72/487891072.db2.gz WCAPPQCFLMPSSG-NXEZZACHSA-N 0 3 236.319 0.788 20 0 BCADHN C[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cnn(C)c1 ZINC000652256673 487893493 /nfs/dbraw/zinc/89/34/93/487893493.db2.gz CCIGFFKDOMNPNK-OYNCUSHFSA-N 0 3 222.292 0.335 20 0 BCADHN CC[C@H](C(=O)N(C[C@H](C)O)C1CC1)N(C)C ZINC000655376216 487893757 /nfs/dbraw/zinc/89/37/57/487893757.db2.gz NHKCRZAQTWZNCW-GXSJLCMTSA-N 0 3 228.336 0.698 20 0 BCADHN CC[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cnn(C)c1 ZINC000652257281 487894105 /nfs/dbraw/zinc/89/41/05/487894105.db2.gz PQTASBBPGUINKN-GDPRMGEGSA-N 0 3 236.319 0.725 20 0 BCADHN C[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cnn(C)c1 ZINC000652256672 487894185 /nfs/dbraw/zinc/89/41/85/487894185.db2.gz CCIGFFKDOMNPNK-MRTMQBJTSA-N 0 3 222.292 0.335 20 0 BCADHN O=C(CNC1(CO)CCCC1)Nc1ccon1 ZINC000676707119 487897311 /nfs/dbraw/zinc/89/73/11/487897311.db2.gz IJYQLJQSPMDNCM-UHFFFAOYSA-N 0 3 239.275 0.508 20 0 BCADHN COC[C@H](C)CN1CCN([C@@H]2CCOC2)CC1 ZINC000668535654 487899136 /nfs/dbraw/zinc/89/91/36/487899136.db2.gz NYRJCGKWTKVIIO-CHWSQXEVSA-N 0 3 242.363 0.675 20 0 BCADHN CCn1cnc(C(=O)NC[C@@H]2CCN(C)C2)c1 ZINC000666911570 487902675 /nfs/dbraw/zinc/90/26/75/487902675.db2.gz YKBOPPRPUKMHTJ-JTQLQIEISA-N 0 3 236.319 0.585 20 0 BCADHN CCc1nocc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000666910941 487902959 /nfs/dbraw/zinc/90/29/59/487902959.db2.gz KHTDVSXBRBSOAT-VIFPVBQESA-N 0 3 237.303 0.919 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NCCN1CCCC1=O ZINC000652294441 487903825 /nfs/dbraw/zinc/90/38/25/487903825.db2.gz DPZVHTGCCVQJJL-VIFPVBQESA-N 0 3 236.319 0.991 20 0 BCADHN CCCN1CC[C@H](NC(=O)N[C@H]2C[C@H](O)C2)C1 ZINC000666920017 487904530 /nfs/dbraw/zinc/90/45/30/487904530.db2.gz KTWCTEOVVAVTGO-DCAQKATOSA-N 0 3 241.335 0.293 20 0 BCADHN CCCN1CC[C@H](NC(=O)N[C@H](C)CO)C1 ZINC000666924890 487905416 /nfs/dbraw/zinc/90/54/16/487905416.db2.gz NESZQNFZLGXUIS-ZJUUUORDSA-N 0 3 229.324 0.151 20 0 BCADHN C=Cn1cc(CN(C)CC2CN(C)C2)cn1 ZINC000668539860 487906716 /nfs/dbraw/zinc/90/67/16/487906716.db2.gz OLIXGGWIJHCUED-UHFFFAOYSA-N 0 3 220.320 0.977 20 0 BCADHN CCC[C@@H](O)CC(=O)N1CCCN(C)CC1 ZINC000676734009 487906782 /nfs/dbraw/zinc/90/67/82/487906782.db2.gz GAXYFDRVQQIASR-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN CCCN1CC[C@H](NC(=O)N(CC)CCO)C1 ZINC000666926624 487907354 /nfs/dbraw/zinc/90/73/54/487907354.db2.gz UWLNRZCNKHYJEO-NSHDSACASA-N 0 3 243.351 0.495 20 0 BCADHN CCC[C@@H](O)CC(=O)NC[C@@H]1CCCN(C)C1 ZINC000676750599 487917776 /nfs/dbraw/zinc/91/77/76/487917776.db2.gz PCKQCXNZUVYDNQ-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673512106 487920598 /nfs/dbraw/zinc/92/05/98/487920598.db2.gz XTYRBOHLZATFDU-SRVKXCTJSA-N 0 3 240.347 0.700 20 0 BCADHN Cc1c(/C=C\C(=O)N2CCCNCC2)cnn1C ZINC000493677661 533702642 /nfs/dbraw/zinc/70/26/42/533702642.db2.gz FUOJMDHOVYUACC-PLNGDYQASA-N 0 3 248.330 0.564 20 0 BCADHN OCCN(Cc1cn[nH]c1)C1CCOCC1 ZINC000682167943 487922595 /nfs/dbraw/zinc/92/25/95/487922595.db2.gz PUBVHFZLZQVIGI-UHFFFAOYSA-N 0 3 225.292 0.383 20 0 BCADHN CC(=O)NC1CCN(Cc2[nH]ncc2C)CC1 ZINC000671126207 487922875 /nfs/dbraw/zinc/92/28/75/487922875.db2.gz NLAPBJREQIOQQV-UHFFFAOYSA-N 0 3 236.319 0.819 20 0 BCADHN C[C@@H](C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)N(C)C ZINC000679354766 487927122 /nfs/dbraw/zinc/92/71/22/487927122.db2.gz ZNHZVHLGTLQRJQ-SRVKXCTJSA-N 0 3 239.363 0.489 20 0 BCADHN O=C1NCCCC[C@H]1NCc1ccc(CO)cc1 ZINC000227475432 487931115 /nfs/dbraw/zinc/93/11/15/487931115.db2.gz CBNYMAAIXUYZPA-CYBMUJFWSA-N 0 3 248.326 0.937 20 0 BCADHN COC1CC(N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)C1 ZINC000668560959 487935368 /nfs/dbraw/zinc/93/53/68/487935368.db2.gz ISRGVBSCXFBXJY-NKVNRFPTSA-N 0 3 247.360 0.719 20 0 BCADHN CC1(C)CC[C@H](CN2CCC(O)(CO)CC2)O1 ZINC000313678053 487935410 /nfs/dbraw/zinc/93/54/10/487935410.db2.gz KZZAQCBZUPYQCW-LLVKDONJSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@H](N[C@H]1CCCNC(=O)C1)c1cn[nH]c1 ZINC000229671413 487935524 /nfs/dbraw/zinc/93/55/24/487935524.db2.gz TXZPGAKXHSCGOK-WPRPVWTQSA-N 0 3 222.292 0.729 20 0 BCADHN CC(C)NCC(=O)N[C@@H](C)c1cn[nH]c1 ZINC000229704443 487937468 /nfs/dbraw/zinc/93/74/68/487937468.db2.gz LRXVRPZPMDKHCT-QMMMGPOBSA-N 0 3 210.281 0.585 20 0 BCADHN Cn1cncc1CN1CC[C@@H](CC(N)=O)C1 ZINC000676870802 487938328 /nfs/dbraw/zinc/93/83/28/487938328.db2.gz BWNUCMPLLJYWFE-VIFPVBQESA-N 0 3 222.292 0.117 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@H](N)CC(C)C ZINC000158080280 487939274 /nfs/dbraw/zinc/93/92/74/487939274.db2.gz KINXGRBRBTXOTG-NXEZZACHSA-N 0 3 216.325 0.637 20 0 BCADHN CCOCCC(=O)N1CCNCC1(C)C ZINC000083842478 487941867 /nfs/dbraw/zinc/94/18/67/487941867.db2.gz VNCMSKOQLDLSPN-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CC1(C)CNCCN1C(=O)[C@H]1CCCOC1 ZINC000083842544 487941906 /nfs/dbraw/zinc/94/19/06/487941906.db2.gz SSTIHLRKZNHESF-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H](c1cnccn1)N1CC[C@H](CC(N)=O)C1 ZINC000676891818 487941859 /nfs/dbraw/zinc/94/18/59/487941859.db2.gz JDKQNCGQBOTLFZ-NXEZZACHSA-N 0 3 234.303 0.735 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CCNCC1(C)C ZINC000083842529 487942218 /nfs/dbraw/zinc/94/22/18/487942218.db2.gz NRGHUGGSTMAWDI-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN Cn1nccc1C(=O)N1CCNCC1(C)C ZINC000083842568 487942261 /nfs/dbraw/zinc/94/22/61/487942261.db2.gz IEBSVMCLUGXHQT-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN CC1(C)CNCCN1C(=O)c1csnn1 ZINC000083842511 487942319 /nfs/dbraw/zinc/94/23/19/487942319.db2.gz BYWBDIFKBJGVMM-UHFFFAOYSA-N 0 3 226.305 0.362 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000220525944 487943450 /nfs/dbraw/zinc/94/34/50/487943450.db2.gz YBKFSEJBVXYZJH-SECBINFHSA-N 0 3 236.319 0.192 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000220525944 487943453 /nfs/dbraw/zinc/94/34/53/487943453.db2.gz YBKFSEJBVXYZJH-SECBINFHSA-N 0 3 236.319 0.192 20 0 BCADHN Cc1occc1CN(C)c1nc(N)nc(N)n1 ZINC000147086017 487947334 /nfs/dbraw/zinc/94/73/34/487947334.db2.gz BWZFCLAOJZLFIN-UHFFFAOYSA-N 0 3 234.263 0.574 20 0 BCADHN O=C(NCCN1CCC1)c1cccc2nc[nH]c21 ZINC000676948202 487947920 /nfs/dbraw/zinc/94/79/20/487947920.db2.gz AKOUGDVALQVNGE-UHFFFAOYSA-N 0 3 244.298 0.998 20 0 BCADHN Cc1ncc(C(=O)NCCN(C)C2CC2)c(N)n1 ZINC000667158588 487949707 /nfs/dbraw/zinc/94/97/07/487949707.db2.gz BGOACQQSQZPBAK-UHFFFAOYSA-N 0 3 249.318 0.191 20 0 BCADHN CCn1cnc(C(=O)NCCN(C)C2CC2)c1 ZINC000667158852 487951232 /nfs/dbraw/zinc/95/12/32/487951232.db2.gz KYUXIOXVVNKCID-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)[C@H]1CC12CCC2 ZINC000676998306 487952233 /nfs/dbraw/zinc/95/22/33/487952233.db2.gz QDUSXBIBSHGLTM-ZYHUDNBSSA-N 0 3 240.347 0.605 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)[C@H](O)C1CC1 ZINC000667183454 487954827 /nfs/dbraw/zinc/95/48/27/487954827.db2.gz ZACFYJDAOSWKEO-GXSJLCMTSA-N 0 3 224.304 0.110 20 0 BCADHN OCC(CO)NCCc1ccc(F)c(F)c1 ZINC000258633553 322875589 /nfs/dbraw/zinc/87/55/89/322875589.db2.gz DZCCRJIAUCLCJE-UHFFFAOYSA-N 0 3 231.242 0.450 20 0 BCADHN CC(C)CC[C@@H](O)CN[C@H](C)C(=O)N(C)C ZINC000564854862 322941237 /nfs/dbraw/zinc/94/12/37/322941237.db2.gz PHLXOTDBLPBAHK-GHMZBOCLSA-N 0 3 230.352 0.850 20 0 BCADHN CCC[C@@H](O)CNCc1cnc(C)n1C ZINC000569379797 322965004 /nfs/dbraw/zinc/96/50/04/322965004.db2.gz RKKFTCMWDZOWSH-LLVKDONJSA-N 0 3 211.309 0.979 20 0 BCADHN Cn1cnnc1CN1CC[C@H](N2CCCCC2)C1 ZINC000536369884 322974215 /nfs/dbraw/zinc/97/42/15/322974215.db2.gz KUFWYKFXCFWPQO-LBPRGKRZSA-N 0 3 249.362 0.875 20 0 BCADHN CCC1(O)CCN(C(=O)[C@@H](C)NC2CC2)CC1 ZINC000564663918 322977975 /nfs/dbraw/zinc/97/79/75/322977975.db2.gz NZKNMBBKTXIMHP-SNVBAGLBSA-N 0 3 240.347 0.890 20 0 BCADHN CC[C@H](NC(=O)[C@H](N)CCSC)C(=O)OC ZINC000152705851 322988878 /nfs/dbraw/zinc/98/88/78/322988878.db2.gz KRWJNHSOSFPPQT-SFYZADRCSA-N 0 3 248.348 0.135 20 0 BCADHN CC(C)NC(=O)CCN1CCN(C2CC2)CC1 ZINC000125849987 323002075 /nfs/dbraw/zinc/00/20/75/323002075.db2.gz XSQWRUHXXOBYIF-UHFFFAOYSA-N 0 3 239.363 0.681 20 0 BCADHN Cc1nc(CN2C[C@H](O)[C@@H](N(C)C)C2)oc1C ZINC000561470916 323002231 /nfs/dbraw/zinc/00/22/31/323002231.db2.gz SGJYYUCGWXJOGE-QWRGUYRKSA-N 0 3 239.319 0.398 20 0 BCADHN Cc1cc(C(=O)N[C@@H](C)CN(C)C)ncn1 ZINC000561770942 323006710 /nfs/dbraw/zinc/00/67/10/323006710.db2.gz JIFVXXUDRVWIDE-VIFPVBQESA-N 0 3 222.292 0.465 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1[C@@H](C)C1(F)F ZINC000561770383 323006765 /nfs/dbraw/zinc/00/67/65/323006765.db2.gz KFYLEWPPBCVPCN-RNJXMRFFSA-N 0 3 220.263 0.954 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCC(=O)C1 ZINC000566621204 323007547 /nfs/dbraw/zinc/00/75/47/323007547.db2.gz DHETVQMZIWKSOW-IUCAKERBSA-N 0 3 212.293 0.422 20 0 BCADHN CC(C)N[C@@H]1CC(=O)N(c2cnn(C)c2)C1=O ZINC000566627851 323008047 /nfs/dbraw/zinc/00/80/47/323008047.db2.gz ZOEOIUBZAWZEHP-SECBINFHSA-N 0 3 236.275 0.050 20 0 BCADHN CN(Cc1ccc2[nH]cnc2c1)[C@@H]1COC[C@H]1O ZINC000561967221 323009588 /nfs/dbraw/zinc/00/95/88/323009588.db2.gz BMOUXHFAJPVECQ-CHWSQXEVSA-N 0 3 247.298 0.754 20 0 BCADHN CN(Cc1ccc2nc[nH]c2c1)[C@@H]1COC[C@H]1O ZINC000561967221 323009589 /nfs/dbraw/zinc/00/95/89/323009589.db2.gz BMOUXHFAJPVECQ-CHWSQXEVSA-N 0 3 247.298 0.754 20 0 BCADHN COC[C@H](C)CN1CCOC[C@@H]1C[C@@H](C)O ZINC000561981722 323009687 /nfs/dbraw/zinc/00/96/87/323009687.db2.gz DTPURPZDDLBRDD-UTUOFQBUSA-N 0 3 231.336 0.741 20 0 BCADHN CO[C@H]1CCCC[C@@H]1N[C@H]1CCNC1=O ZINC000393255549 323012827 /nfs/dbraw/zinc/01/28/27/323012827.db2.gz LPXDXTPSFQOAMA-GUBZILKMSA-N 0 3 212.293 0.422 20 0 BCADHN CC1(CN2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000562340357 323016996 /nfs/dbraw/zinc/01/69/96/323016996.db2.gz TZDUPRMPCROXTR-SECBINFHSA-N 0 3 209.293 0.496 20 0 BCADHN CN(C)CCNC(=O)NCCc1cscn1 ZINC000133907848 323020634 /nfs/dbraw/zinc/02/06/34/323020634.db2.gz UITNVJCLEAFTEJ-UHFFFAOYSA-N 0 3 242.348 0.546 20 0 BCADHN CSC[C@H](O)CN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000562478318 323021543 /nfs/dbraw/zinc/02/15/43/323021543.db2.gz JCOMDUGMCVTSIT-NXEZZACHSA-N 0 3 246.376 0.263 20 0 BCADHN C[C@@H]1CN(CCOC[C@H]2CCCO2)CC[C@H]1O ZINC000562509719 323022326 /nfs/dbraw/zinc/02/23/26/323022326.db2.gz LQNWNKUTTMRQSJ-JHJVBQTASA-N 0 3 243.347 0.885 20 0 BCADHN Cn1cnc2cc(CN[C@@H]3COC[C@H]3O)ccc21 ZINC000562714840 323028764 /nfs/dbraw/zinc/02/87/64/323028764.db2.gz TZIHKTLAPIKKTA-DGCLKSJQSA-N 0 3 247.298 0.423 20 0 BCADHN CC(C)c1cc(N2CCNCC2)n2ncnc2n1 ZINC000562830440 323031942 /nfs/dbraw/zinc/03/19/42/323031942.db2.gz GRLBLCRBTLRXAF-UHFFFAOYSA-N 0 3 246.318 0.657 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCO[C@@H](C)C1 ZINC000562872418 323032647 /nfs/dbraw/zinc/03/26/47/323032647.db2.gz AKOHCTRSXJDJJX-DCAQKATOSA-N 0 3 228.336 0.868 20 0 BCADHN Cc1nc2ccc(N3C[C@H](C)NC[C@@H]3C)nn2n1 ZINC000569699846 323037527 /nfs/dbraw/zinc/03/75/27/323037527.db2.gz UFUNNBMFYOXKHD-IUCAKERBSA-N 0 3 246.318 0.619 20 0 BCADHN Cc1nc2ccc(N3C[C@@H](C)NC[C@@H]3C)nn2n1 ZINC000569699837 323037611 /nfs/dbraw/zinc/03/76/11/323037611.db2.gz UFUNNBMFYOXKHD-BDAKNGLRSA-N 0 3 246.318 0.619 20 0 BCADHN C[C@H]1CCN(CC(=O)NCc2ncccc2[O-])C1 ZINC000569740192 323039512 /nfs/dbraw/zinc/03/95/12/323039512.db2.gz NYCWMMVVRJLHNL-JTQLQIEISA-N 0 3 249.314 0.745 20 0 BCADHN C[C@H]1CCN(CC(=O)NCc2ncccc2O)C1 ZINC000569740192 323039513 /nfs/dbraw/zinc/03/95/13/323039513.db2.gz NYCWMMVVRJLHNL-JTQLQIEISA-N 0 3 249.314 0.745 20 0 BCADHN C[C@H]1CC[N@H+](CC(=O)NCc2ncccc2[O-])C1 ZINC000569740192 323039514 /nfs/dbraw/zinc/03/95/14/323039514.db2.gz NYCWMMVVRJLHNL-JTQLQIEISA-N 0 3 249.314 0.745 20 0 BCADHN C[C@H]1CC[N@@H+](CC(=O)NCc2ncccc2[O-])C1 ZINC000569740192 323039515 /nfs/dbraw/zinc/03/95/15/323039515.db2.gz NYCWMMVVRJLHNL-JTQLQIEISA-N 0 3 249.314 0.745 20 0 BCADHN CC[C@H](C(=O)NCCCCOC)N(C)C ZINC000151821393 323043746 /nfs/dbraw/zinc/04/37/46/323043746.db2.gz BZGOSBJPDMWLAE-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN COC(=O)C1(CNC(C)(C)C(=O)N(C)C)CC1 ZINC000569899415 323043826 /nfs/dbraw/zinc/04/38/26/323043826.db2.gz NNIHWWPSOCOVOL-UHFFFAOYSA-N 0 3 242.319 0.396 20 0 BCADHN OCCN1CCCC[C@@H]1CNCC1(F)CC1 ZINC000569917276 323044358 /nfs/dbraw/zinc/04/43/58/323044358.db2.gz CIBFVZJUZYAUFK-LLVKDONJSA-N 0 3 230.327 0.925 20 0 BCADHN COC[C@H](O)CCN[C@@H](C)c1cncnc1C ZINC000569941924 323045373 /nfs/dbraw/zinc/04/53/73/323045373.db2.gz VHLUQWQYZKPNIO-GXSJLCMTSA-N 0 3 239.319 0.833 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000570277724 323054906 /nfs/dbraw/zinc/05/49/06/323054906.db2.gz AWDFNOVCBNZISV-YIZRAAEISA-N 0 3 228.292 0.182 20 0 BCADHN CN(C(=O)[C@H]1CCCCCN1)c1ccn(C)n1 ZINC000570280601 323054931 /nfs/dbraw/zinc/05/49/31/323054931.db2.gz FGBNREXMDLMJCE-SNVBAGLBSA-N 0 3 236.319 0.915 20 0 BCADHN Cc1cc[nH]c1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000570292864 323055564 /nfs/dbraw/zinc/05/55/64/323055564.db2.gz LHNPFKHIQXBIMY-UWVGGRQHSA-N 0 3 237.303 0.070 20 0 BCADHN Cc1cc(CCNC[C@@H](C)S(C)(=O)=O)on1 ZINC000570325424 323056366 /nfs/dbraw/zinc/05/63/66/323056366.db2.gz IWZFNLLTZGXYEO-SECBINFHSA-N 0 3 246.332 0.548 20 0 BCADHN CC(C)N(CC(N)=O)C[C@@H]1CCCC[C@H]1O ZINC000570353960 323057037 /nfs/dbraw/zinc/05/70/37/323057037.db2.gz IIEIKUSLEMOLNT-WDEREUQCSA-N 0 3 228.336 0.733 20 0 BCADHN O=C(CNC1CC1)N1CCC[C@@H](n2ccnn2)C1 ZINC000570391192 323058091 /nfs/dbraw/zinc/05/80/91/323058091.db2.gz NQZSCDYBCYNZGI-LLVKDONJSA-N 0 3 249.318 0.194 20 0 BCADHN CN(C[C@H](O)CN1Cc2cccnc2C1)C1CC1 ZINC000570391746 323058275 /nfs/dbraw/zinc/05/82/75/323058275.db2.gz JAYVZWIHLZKCKZ-ZDUSSCGKSA-N 0 3 247.342 0.852 20 0 BCADHN C[C@H](CNC(=O)c1cn(C)nn1)N1CCCC1 ZINC000570482592 323060717 /nfs/dbraw/zinc/06/07/17/323060717.db2.gz RUMQEYRBHRZALI-SECBINFHSA-N 0 3 237.307 0.029 20 0 BCADHN CNC(=O)CCCN1CCN(C2CCC2)CC1 ZINC000570507592 323061640 /nfs/dbraw/zinc/06/16/40/323061640.db2.gz FVNAIRCQLRFUBE-UHFFFAOYSA-N 0 3 239.363 0.683 20 0 BCADHN C[C@H](CNCCN(C)C1CC1)S(C)(=O)=O ZINC000570564315 323063144 /nfs/dbraw/zinc/06/31/44/323063144.db2.gz MAGAGLWOFLSNQV-SECBINFHSA-N 0 3 234.365 0.103 20 0 BCADHN CO[C@H](CN(C)[C@@H]1CCC(=O)N(C)C1)C1CC1 ZINC000570823230 323071709 /nfs/dbraw/zinc/07/17/09/323071709.db2.gz ITJZZONIJDTPEV-VXGBXAGGSA-N 0 3 240.347 0.964 20 0 BCADHN CCOCC[C@@H](O)CN1CCN(C)C(C)(C)C1 ZINC000570824188 323071823 /nfs/dbraw/zinc/07/18/23/323071823.db2.gz PPDZZMWOHXFVQT-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN FC1(CNCCN2CCOCC2)CC1 ZINC000308510839 323080516 /nfs/dbraw/zinc/08/05/16/323080516.db2.gz JHBXALXCHFJVHF-UHFFFAOYSA-N 0 3 202.273 0.410 20 0 BCADHN CC(C)OC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000497154532 323081402 /nfs/dbraw/zinc/08/14/02/323081402.db2.gz ZFUJZDPLMDEZRH-JTQLQIEISA-N 0 3 216.281 0.188 20 0 BCADHN CC(C)OC[C@@H](C)NC[C@@H](C)S(C)(=O)=O ZINC000308861248 323081547 /nfs/dbraw/zinc/08/15/47/323081547.db2.gz RKTVDUOVXFKMAO-NXEZZACHSA-N 0 3 237.365 0.823 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1CO[C@@H](C)C1 ZINC000563049357 323082548 /nfs/dbraw/zinc/08/25/48/323082548.db2.gz VINAYEUSMNQHAV-LPEHRKFASA-N 0 3 229.324 0.413 20 0 BCADHN CC(C)CNC(=O)CN(C)C1CCOCC1 ZINC000531343959 323087723 /nfs/dbraw/zinc/08/77/23/323087723.db2.gz YSYKNKJVVGFFRV-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN CO[C@H]1CCN(CCOC[C@@H]2CCCO2)C1 ZINC000531453251 323091435 /nfs/dbraw/zinc/09/14/35/323091435.db2.gz NWFOKBRXAJNCPW-RYUDHWBXSA-N 0 3 229.320 0.903 20 0 BCADHN C/C=C/C[C@H](CO)NC[C@@H](C)S(C)(=O)=O ZINC000563144469 323095344 /nfs/dbraw/zinc/09/53/44/323095344.db2.gz WPYSTKJKXCUUCG-NUNSBDKSSA-N 0 3 235.349 0.336 20 0 BCADHN CC(C)CNC(=O)CN1CCNC[C@H]1C(F)F ZINC000563149627 323095600 /nfs/dbraw/zinc/09/56/00/323095600.db2.gz DMBZMVJBBNRKIX-VIFPVBQESA-N 0 3 249.305 0.298 20 0 BCADHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)CN)C1 ZINC000157455139 323095670 /nfs/dbraw/zinc/09/56/70/323095670.db2.gz DWIRSNJUDPDOKS-ZJUUUORDSA-N 0 3 241.335 0.145 20 0 BCADHN C[C@@H](C(=O)Nc1ccncc1[O-])[C@H](C)[NH3+] ZINC000570959348 323101610 /nfs/dbraw/zinc/10/16/10/323101610.db2.gz CFLJEFLCJNUDTO-RQJHMYQMSA-N 0 3 209.249 0.131 20 0 BCADHN CCOCCCNC[C@@H](C)S(C)(=O)=O ZINC000233715614 323104785 /nfs/dbraw/zinc/10/47/85/323104785.db2.gz AGZFPDWGRFSRJD-SECBINFHSA-N 0 3 223.338 0.436 20 0 BCADHN Cn1cncc1CNCCNc1cnccn1 ZINC000531610386 323110291 /nfs/dbraw/zinc/11/02/91/323110291.db2.gz OPKCRELBTGJXFD-UHFFFAOYSA-N 0 3 232.291 0.412 20 0 BCADHN CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC000110061033 323112666 /nfs/dbraw/zinc/11/26/66/323112666.db2.gz IVGQIVPSEBHXQH-VIFPVBQESA-N 0 3 237.307 0.265 20 0 BCADHN CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC000110061033 323112667 /nfs/dbraw/zinc/11/26/67/323112667.db2.gz IVGQIVPSEBHXQH-VIFPVBQESA-N 0 3 237.307 0.265 20 0 BCADHN CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2c[n-]nn2)C1 ZINC000110061033 323112668 /nfs/dbraw/zinc/11/26/68/323112668.db2.gz IVGQIVPSEBHXQH-VIFPVBQESA-N 0 3 237.307 0.265 20 0 BCADHN CC(C)[N@H+]1CC[C@@H](CNC(=O)c2c[n-]nn2)C1 ZINC000110061033 323112669 /nfs/dbraw/zinc/11/26/69/323112669.db2.gz IVGQIVPSEBHXQH-VIFPVBQESA-N 0 3 237.307 0.265 20 0 BCADHN CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cn[n-]n2)C1 ZINC000110061033 323112670 /nfs/dbraw/zinc/11/26/70/323112670.db2.gz IVGQIVPSEBHXQH-VIFPVBQESA-N 0 3 237.307 0.265 20 0 BCADHN CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cn[n-]n2)C1 ZINC000110061033 323112671 /nfs/dbraw/zinc/11/26/71/323112671.db2.gz IVGQIVPSEBHXQH-VIFPVBQESA-N 0 3 237.307 0.265 20 0 BCADHN CCOC(=O)CN1CCN(C)C[C@H]1C(C)C ZINC000245420643 323118882 /nfs/dbraw/zinc/11/88/82/323118882.db2.gz HOSWHYDBVKOEFW-NSHDSACASA-N 0 3 228.336 0.822 20 0 BCADHN C[C@H](CC(=O)N1CCCNCC1)n1ccnc1 ZINC000563336384 323119009 /nfs/dbraw/zinc/11/90/09/323119009.db2.gz HDGULIKKCLUTKP-LLVKDONJSA-N 0 3 236.319 0.656 20 0 BCADHN CC[C@H](N)C(=O)N(C)[C@@H](C)c1nc(C)no1 ZINC000563410693 323124645 /nfs/dbraw/zinc/12/46/45/323124645.db2.gz JTRIDYNVEJLOCZ-XPUUQOCRSA-N 0 3 226.280 0.635 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000563449555 323126359 /nfs/dbraw/zinc/12/63/59/323126359.db2.gz IQFYPKZAIXNPOR-NWDGAFQWSA-N 0 3 249.314 0.346 20 0 BCADHN COCCN(C)C[C@@H](O)Cn1nc(C)cc1C ZINC000310415765 323131103 /nfs/dbraw/zinc/13/11/03/323131103.db2.gz POVZDWUZRJEQQB-GFCCVEGCSA-N 0 3 241.335 0.439 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000303389657 323132756 /nfs/dbraw/zinc/13/27/56/323132756.db2.gz YYHSVLOTIDHARG-HTRCEHHLSA-N 0 3 240.225 0.249 20 0 BCADHN COC[C@@H](C)OC[C@@H](O)CN1CCC1(C)C ZINC000567450981 323133036 /nfs/dbraw/zinc/13/30/36/323133036.db2.gz ACQFWFJYULYHPG-MNOVXSKESA-N 0 3 231.336 0.883 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1ccc(C)nc1 ZINC000571104266 323135629 /nfs/dbraw/zinc/13/56/29/323135629.db2.gz QAOMJMIIBFJLKR-JTQLQIEISA-N 0 3 221.304 0.657 20 0 BCADHN COC(=O)CCCN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000571147073 323136616 /nfs/dbraw/zinc/13/66/16/323136616.db2.gz UBPOQWABNSWMPC-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN C[C@H](c1csnn1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000571175389 323137641 /nfs/dbraw/zinc/13/76/41/323137641.db2.gz GTAZIZQMLQSNKB-JEZHCXPESA-N 0 3 242.348 0.206 20 0 BCADHN O=C1NCC[C@H]1CCN1CCOC[C@H]1C1CC1 ZINC000571222782 323138394 /nfs/dbraw/zinc/13/83/94/323138394.db2.gz YCJDUROYVPBRRG-RYUDHWBXSA-N 0 3 238.331 0.623 20 0 BCADHN COC(=O)CCN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000571294660 323140599 /nfs/dbraw/zinc/14/05/99/323140599.db2.gz AGVZFGHPYLQDEZ-SECBINFHSA-N 0 3 228.292 0.102 20 0 BCADHN C[C@H]1NCCN(C(=O)Cc2ccc(N)cn2)[C@@H]1C ZINC000571327251 323141531 /nfs/dbraw/zinc/14/15/31/323141531.db2.gz XZUWWGYFGWAKBU-NXEZZACHSA-N 0 3 248.330 0.415 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000571332701 323141725 /nfs/dbraw/zinc/14/17/25/323141725.db2.gz XXLFMDRJVWGNGA-ZJUUUORDSA-N 0 3 249.318 0.227 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000571405109 323143791 /nfs/dbraw/zinc/14/37/91/323143791.db2.gz LKZLSWGOZODOLU-ZDCRXTMVSA-N 0 3 226.320 0.798 20 0 BCADHN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)[C@H]1CCN1 ZINC000571432068 323144621 /nfs/dbraw/zinc/14/46/21/323144621.db2.gz CARUMNZBNIFNNU-RKDXNWHRSA-N 0 3 241.335 0.110 20 0 BCADHN 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CC(=O)Nc1ccccc1NC(=O)[C@H](C)N ZINC000083905047 487963870 /nfs/dbraw/zinc/96/38/70/487963870.db2.gz DJUBJLRFBWHGSJ-ZETCQYMHSA-N 0 3 221.260 0.931 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](COC)C1CC1 ZINC000125357059 324639134 /nfs/dbraw/zinc/63/91/34/324639134.db2.gz JZLLHLNJIRVHLR-IEBDPFPHSA-N 0 3 228.336 0.901 20 0 BCADHN Cc1c(C(=O)NC2CCN(C)CC2)cnn1C ZINC000126971695 324735253 /nfs/dbraw/zinc/73/52/53/324735253.db2.gz NMWKEEKKRSQFTJ-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)Cc2cn[nH]c2)C1 ZINC000654791349 487965089 /nfs/dbraw/zinc/96/50/89/487965089.db2.gz KHBODNYBILCJKT-SNVBAGLBSA-N 0 3 236.319 0.710 20 0 BCADHN CN(CCC(=O)N1CC[C@@H](O)C1)c1ccncc1 ZINC000541854362 324983866 /nfs/dbraw/zinc/98/38/66/324983866.db2.gz NFMVVINZDSGDQA-GFCCVEGCSA-N 0 3 249.314 0.501 20 0 BCADHN CN1CCC[C@H](CNC(=O)C2(C)COC2)C1 ZINC000542083281 325007295 /nfs/dbraw/zinc/00/72/95/325007295.db2.gz WTACLSVMQPLIJP-SNVBAGLBSA-N 0 3 226.320 0.481 20 0 BCADHN C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)N1CCCC1 ZINC000230190925 325009955 /nfs/dbraw/zinc/00/99/55/325009955.db2.gz CFPNMCAVEKURQU-JTQLQIEISA-N 0 3 249.314 0.589 20 0 BCADHN C[C@H](O)CNC(=O)CCN(C)c1ccncc1 ZINC000542784056 325047123 /nfs/dbraw/zinc/04/71/23/325047123.db2.gz FDBVJQKRQNKRCF-JTQLQIEISA-N 0 3 237.303 0.405 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CCCOC1 ZINC000071023445 325050054 /nfs/dbraw/zinc/05/00/54/325050054.db2.gz PDHZXEJGMVOUCG-UTLUCORTSA-N 0 3 214.309 0.655 20 0 BCADHN CN(C)CCN(CCN(C)C)C(=O)N(C)C ZINC000542978265 325065581 /nfs/dbraw/zinc/06/55/81/325065581.db2.gz ZRPFNEGQTDQWCF-UHFFFAOYSA-N 0 3 230.356 0.093 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000130722864 325082372 /nfs/dbraw/zinc/08/23/72/325082372.db2.gz OUKJKMMEKJVAQS-VHSXEESVSA-N 0 3 241.335 0.146 20 0 BCADHN CN(C)CCNC(=O)c1ccc(C(N)=O)s1 ZINC000130828348 325092075 /nfs/dbraw/zinc/09/20/75/325092075.db2.gz QMESYXDNPXHCPV-UHFFFAOYSA-N 0 3 241.316 0.138 20 0 BCADHN CC[C@H](NC[C@@H](O)CN(C)C)c1ccn(C)n1 ZINC000543601733 325096517 /nfs/dbraw/zinc/09/65/17/325096517.db2.gz JZSZYRUCEHUGHZ-MNOVXSKESA-N 0 3 240.351 0.383 20 0 BCADHN CCOCCNC(=O)CN[C@@H](COC)C(C)C ZINC000544415313 325142531 /nfs/dbraw/zinc/14/25/31/325142531.db2.gz KTIWDBRSFCQHNO-NSHDSACASA-N 0 3 246.351 0.400 20 0 BCADHN CCOC(=O)[C@@H](C)CNC(=O)[C@H](CC)N(C)C ZINC000131441968 325150856 /nfs/dbraw/zinc/15/08/56/325150856.db2.gz NIFSSIVDHVAWJW-UWVGGRQHSA-N 0 3 244.335 0.642 20 0 BCADHN C[C@@]1(CO)CCCN1CC(=O)N1CCCCC1 ZINC000544759451 325157746 /nfs/dbraw/zinc/15/77/46/325157746.db2.gz FCKKSUFSALSZKK-ZDUSSCGKSA-N 0 3 240.347 0.846 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@@]1(C)CO ZINC000544763097 325159091 /nfs/dbraw/zinc/15/90/91/325159091.db2.gz PFHSYLGQFCDBLI-LBPRGKRZSA-N 0 3 228.336 0.702 20 0 BCADHN c1ncc(CNC[C@@H]2COCCN2)s1 ZINC000131596418 325167689 /nfs/dbraw/zinc/16/76/89/325167689.db2.gz ACQRSPSESFARCW-MRVPVSSYSA-N 0 3 213.306 0.221 20 0 BCADHN CC[C@@H]1CCN(CC(=O)NCCCOC)C1 ZINC000131593223 325167746 /nfs/dbraw/zinc/16/77/46/325167746.db2.gz OQUQGJWWRFAIQM-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN O=S1(=O)CCC[C@@H](NCCOCC2CC2)C1 ZINC000132160050 325201995 /nfs/dbraw/zinc/20/19/95/325201995.db2.gz VGMABPHDVWAPKZ-LLVKDONJSA-N 0 3 247.360 0.580 20 0 BCADHN CCCCNC(=O)CN1CCC[C@@]1(C)CO ZINC000545398591 325219434 /nfs/dbraw/zinc/21/94/34/325219434.db2.gz UHWRKIBUEAOANT-LBPRGKRZSA-N 0 3 228.336 0.750 20 0 BCADHN CCN(CC)CC(=O)NC[C@@](C)(O)CC ZINC000074197264 325231472 /nfs/dbraw/zinc/23/14/72/325231472.db2.gz GJQHPQWPYUQCAF-NSHDSACASA-N 0 3 216.325 0.605 20 0 BCADHN CN(CCC(=O)NC1CCCC1)C1CC(O)C1 ZINC000546094115 325264972 /nfs/dbraw/zinc/26/49/72/325264972.db2.gz QIQRIYXQYONWRY-UHFFFAOYSA-N 0 3 240.347 0.890 20 0 BCADHN CN1CC[C@H](C(=O)N2CCC[C@@]2(C)CO)C1 ZINC000546114364 325267068 /nfs/dbraw/zinc/26/70/68/325267068.db2.gz DCROPKCBIYPWOF-JQWIXIFHSA-N 0 3 226.320 0.312 20 0 BCADHN CNC(=O)NC(=O)CN1CC[C@@H](CC(C)C)C1 ZINC000074995453 325274438 /nfs/dbraw/zinc/27/44/38/325274438.db2.gz XMNSLRAYFMBIBF-JTQLQIEISA-N 0 3 241.335 0.810 20 0 BCADHN CCN(C)CCNC(=O)[C@@H](C)CC(=O)OC ZINC000133345454 325288500 /nfs/dbraw/zinc/28/85/00/325288500.db2.gz NZYJBPAAUIZICE-VIFPVBQESA-N 0 3 230.308 0.254 20 0 BCADHN CS(=O)(=O)NCCN1CCC[C@H]2CCC[C@@H]21 ZINC000075768727 325310416 /nfs/dbraw/zinc/31/04/16/325310416.db2.gz CGURMZYUNUUQLB-MNOVXSKESA-N 0 3 246.376 0.800 20 0 BCADHN CN(CC1(O)CCC1)[C@H]1CCCN(C)C1=O ZINC000546801716 325312176 /nfs/dbraw/zinc/31/21/76/325312176.db2.gz YFWRDMIZPVXQPT-JTQLQIEISA-N 0 3 226.320 0.454 20 0 BCADHN COC[C@H](NC(=O)NCCN(C)C)C(C)C ZINC000133750972 325316051 /nfs/dbraw/zinc/31/60/51/325316051.db2.gz JYNDGCFMAXJLOV-JTQLQIEISA-N 0 3 231.340 0.518 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000547296277 325335973 /nfs/dbraw/zinc/33/59/73/325335973.db2.gz RJDSXJFDPXWCCR-SCVCMEIPSA-N 0 3 241.335 0.008 20 0 BCADHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1N[C@@H]1CCOC1 ZINC000134008650 325337282 /nfs/dbraw/zinc/33/72/82/325337282.db2.gz JSJVIFMWRSFYDL-OUAUKWLOSA-N 0 3 247.360 0.721 20 0 BCADHN CO[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC000076243999 325337806 /nfs/dbraw/zinc/33/78/06/325337806.db2.gz WOCFRLDVWLKIKM-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN C[NH+]1CCC(CCNC(=O)c2cnn[n-]2)CC1 ZINC000134051810 325340238 /nfs/dbraw/zinc/34/02/38/325340238.db2.gz ICVOGNSGCKDGQP-UHFFFAOYSA-N 0 3 237.307 0.266 20 0 BCADHN C[NH+]1CCC(CCNC(=O)c2cn[n-]n2)CC1 ZINC000134051810 325340240 /nfs/dbraw/zinc/34/02/40/325340240.db2.gz ICVOGNSGCKDGQP-UHFFFAOYSA-N 0 3 237.307 0.266 20 0 BCADHN C[NH+]1CCC(CCNC(=O)c2c[n-]nn2)CC1 ZINC000134051810 325340237 /nfs/dbraw/zinc/34/02/37/325340237.db2.gz ICVOGNSGCKDGQP-UHFFFAOYSA-N 0 3 237.307 0.266 20 0 BCADHN COCC(C)(C)NCC(=O)N(C)C1CC1 ZINC000076493692 325346853 /nfs/dbraw/zinc/34/68/53/325346853.db2.gz SZPIMVHCPBQMLM-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN NCC(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000076635616 325351034 /nfs/dbraw/zinc/35/10/34/325351034.db2.gz HEGQNNKSIXGYRV-LBPRGKRZSA-N 0 3 249.314 0.548 20 0 BCADHN O=C(N1CCOCC1)N1CCN2CCC[C@@H]2C1 ZINC000134523212 325363429 /nfs/dbraw/zinc/36/34/29/325363429.db2.gz QSFOFJQFJKAPFC-LLVKDONJSA-N 0 3 239.319 0.219 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN1[C@H](C)C[C@H]1C ZINC000548096621 325428911 /nfs/dbraw/zinc/42/89/11/325428911.db2.gz AZMYWSWMIACRFJ-WISYIIOYSA-N 0 3 231.336 0.882 20 0 BCADHN COC[C@H](N[C@H](C)C(=O)NC1CC1)C(C)C ZINC000083400006 325567034 /nfs/dbraw/zinc/56/70/34/325567034.db2.gz VGOOWKATCDMMSH-KOLCDFICSA-N 0 3 228.336 0.914 20 0 BCADHN COC[C@@H](N[C@@H](C)C(=O)NC1CC1)C(C)C ZINC000083399999 325567312 /nfs/dbraw/zinc/56/73/12/325567312.db2.gz VGOOWKATCDMMSH-GXSJLCMTSA-N 0 3 228.336 0.914 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H](C)[C@H]1CCCO1 ZINC000246725803 325577406 /nfs/dbraw/zinc/57/74/06/325577406.db2.gz WAMWBFRKBQTUNS-KXUCPTDWSA-N 0 3 235.349 0.577 20 0 BCADHN O=C(CC1CC1)NC[C@@]1(O)CN2CCC1CC2 ZINC000552027029 325589005 /nfs/dbraw/zinc/58/90/05/325589005.db2.gz RQQPSZFIVWXBDO-CYBMUJFWSA-N 0 3 238.331 0.359 20 0 BCADHN CO[C@@H]1CC[C@@H](N[C@H](C)CS(C)(=O)=O)C1 ZINC000249046800 325634293 /nfs/dbraw/zinc/63/42/93/325634293.db2.gz NRWPLCQSMLEVOH-OPRDCNLKSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@H](C(=O)NC1CCN(C)CC1)N1CC(C)C1 ZINC000552883313 325668559 /nfs/dbraw/zinc/66/85/59/325668559.db2.gz XNEOBVGBUIZSHL-LLVKDONJSA-N 0 3 239.363 0.537 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Cc1cncn1C ZINC000553792023 325699520 /nfs/dbraw/zinc/69/95/20/325699520.db2.gz WRJUGDXINPMLJQ-VIFPVBQESA-N 0 3 224.308 0.029 20 0 BCADHN Cc1nocc1CNCCN1CCO[C@H](C)C1 ZINC000555537767 325760725 /nfs/dbraw/zinc/76/07/25/325760725.db2.gz WDVFOMJCIXSYIX-SNVBAGLBSA-N 0 3 239.319 0.793 20 0 BCADHN CNC(=O)C(C)(C)CNCc1cnc(C)n1C ZINC000564583564 325797630 /nfs/dbraw/zinc/79/76/30/325797630.db2.gz DJRHJNXXGXPGAU-UHFFFAOYSA-N 0 3 238.335 0.590 20 0 BCADHN CCC[C@H](O)[C@H](CO)NC[C@H](O)C(F)(F)F ZINC000564729426 325805688 /nfs/dbraw/zinc/80/56/88/325805688.db2.gz QMPQDKHUAXNIRA-FXQIFTODSA-N 0 3 245.241 0.021 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000564837429 325814455 /nfs/dbraw/zinc/81/44/55/325814455.db2.gz RSJPIUADBAWFPG-GMTAPVOTSA-N 0 3 244.335 0.280 20 0 BCADHN CSCCCN1CC(C)(C(N)=O)C1 ZINC000564916614 325826508 /nfs/dbraw/zinc/82/65/08/325826508.db2.gz PZTYGHHOGWUCOL-UHFFFAOYSA-N 0 3 202.323 0.547 20 0 BCADHN CN(CCc1cnccn1)C(=O)C1(N)CCC1 ZINC000564932110 325827966 /nfs/dbraw/zinc/82/79/66/325827966.db2.gz UVMHELGOSWNBHQ-UHFFFAOYSA-N 0 3 234.303 0.359 20 0 BCADHN CN(C)CC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000564949530 325832346 /nfs/dbraw/zinc/83/23/46/325832346.db2.gz YTRBJSHISBYSLV-LBPRGKRZSA-N 0 3 248.330 0.116 20 0 BCADHN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)[C@H](N)CC ZINC000564993708 325842459 /nfs/dbraw/zinc/84/24/59/325842459.db2.gz OMPKWIBFHYIMOF-XHNCKOQMSA-N 0 3 230.308 0.428 20 0 BCADHN CSCCN(C)C(=O)[C@H](N)C1CCOCC1 ZINC000565037304 325848794 /nfs/dbraw/zinc/84/87/94/325848794.db2.gz KSFHFYVKOANAFM-SNVBAGLBSA-N 0 3 246.376 0.562 20 0 BCADHN NC(=O)[C@]1(NC[C@H]2Cc3ccccc32)CCOC1 ZINC000565488273 325918204 /nfs/dbraw/zinc/91/82/04/325918204.db2.gz CTUIGSHJUANNGT-RISCZKNCSA-N 0 3 246.310 0.560 20 0 BCADHN CCN(C)C(=O)CCNC(C)(C)C(=O)N(C)C ZINC000153477057 325971272 /nfs/dbraw/zinc/97/12/72/325971272.db2.gz YBQPAFUABYVNLJ-UHFFFAOYSA-N 0 3 243.351 0.311 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000566095686 325993892 /nfs/dbraw/zinc/99/38/92/325993892.db2.gz AIHPHDCNXZETTJ-XWLWVQCSSA-N 0 3 208.305 0.886 20 0 BCADHN CC[C@H]1CN(C)CCN1CCc1cncn1C ZINC000566138949 326002007 /nfs/dbraw/zinc/00/20/07/326002007.db2.gz UTAFHOOQLICTCA-LBPRGKRZSA-N 0 3 236.363 0.989 20 0 BCADHN Cc1cnccc1CCN1C[C@@H](O)C[C@H]1CO ZINC000566169659 326006285 /nfs/dbraw/zinc/00/62/85/326006285.db2.gz GTJYGKRMIXKLQU-STQMWFEESA-N 0 3 236.315 0.360 20 0 BCADHN NC1(c2noc([C@]3(F)CCNC3)n2)CCCC1 ZINC000566215822 326015587 /nfs/dbraw/zinc/01/55/87/326015587.db2.gz WCIKPTKXJLQDRY-JTQLQIEISA-N 0 3 240.282 0.956 20 0 BCADHN CNC(=O)CCCN(C)C(=O)[C@@H](N)C(C)(C)C ZINC000566250007 326024159 /nfs/dbraw/zinc/02/41/59/326024159.db2.gz ZNHKWKKKYXHMFD-SNVBAGLBSA-N 0 3 243.351 0.344 20 0 BCADHN CCN(C)CCNC(=O)c1cn2c(n1)CCC2 ZINC000566268250 326026459 /nfs/dbraw/zinc/02/64/59/326026459.db2.gz QOEWDFJGVRBQBQ-UHFFFAOYSA-N 0 3 236.319 0.511 20 0 BCADHN CCN(CC)CCNC(=O)[C@@H]1CCC(=O)C1 ZINC000566275461 326027837 /nfs/dbraw/zinc/02/78/37/326027837.db2.gz UUJCZCQVZBKYLL-SNVBAGLBSA-N 0 3 226.320 0.814 20 0 BCADHN COCC1(CC(=O)NC[C@H](C)N(C)C)CC1 ZINC000566287129 326029326 /nfs/dbraw/zinc/02/93/26/326029326.db2.gz YLAXHCUZPGPNLG-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CCN(C[C@@H]1CCCC[C@H]1O)[C@H]1CCNC1=O ZINC000566306177 326031854 /nfs/dbraw/zinc/03/18/54/326031854.db2.gz IPRXRLOIBBQZRJ-SDDRHHMPSA-N 0 3 240.347 0.748 20 0 BCADHN CCC1(O)CCN(C(=O)[C@@H](C)N)CC1 ZINC000566407469 326040830 /nfs/dbraw/zinc/04/08/30/326040830.db2.gz VLALCWQUDPDDGK-MRVPVSSYSA-N 0 3 200.282 0.097 20 0 BCADHN CN(CCCc1cncn1C)[C@@H]1CCNC1=O ZINC000566417633 326043388 /nfs/dbraw/zinc/04/33/88/326043388.db2.gz ZPBTVVGTKPUJIM-LLVKDONJSA-N 0 3 236.319 0.173 20 0 BCADHN C[C@H](CCCO)NC(=O)CN1CC[C@H](C)C1 ZINC000566442517 326048196 /nfs/dbraw/zinc/04/81/96/326048196.db2.gz SDHSFLOIXHPMRI-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN CN(C)C1(CN(C)C(=O)C(C)(C)CO)CCC1 ZINC000566449369 326049611 /nfs/dbraw/zinc/04/96/11/326049611.db2.gz LXFAGRFRPHVEPN-UHFFFAOYSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCCCCO)C1 ZINC000566458787 326051093 /nfs/dbraw/zinc/05/10/93/326051093.db2.gz UMLGITHMNIFPHF-LLVKDONJSA-N 0 3 228.336 0.607 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccn2ccnc2c1 ZINC000566471512 326053061 /nfs/dbraw/zinc/05/30/61/326053061.db2.gz WMWKMEHQXXIXQD-VIFPVBQESA-N 0 3 232.287 0.558 20 0 BCADHN CC(=O)N1CC(N[C@H]2CCCSC2)C1 ZINC000566474606 326053458 /nfs/dbraw/zinc/05/34/58/326053458.db2.gz GTEMWWOQBGHANI-VIFPVBQESA-N 0 3 214.334 0.702 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000566507658 326060045 /nfs/dbraw/zinc/06/00/45/326060045.db2.gz KMVIFRWMMUUYPI-NXEZZACHSA-N 0 3 241.335 0.145 20 0 BCADHN COC(=O)CC1(NCCC(=O)N(C)C)CC1 ZINC000566563887 326064707 /nfs/dbraw/zinc/06/47/07/326064707.db2.gz JQEWDIOJIYKXGM-UHFFFAOYSA-N 0 3 228.292 0.150 20 0 BCADHN Cc1c(NC(=O)[C@H](C)NC2CC2)cnn1C ZINC000566618862 326068271 /nfs/dbraw/zinc/06/82/71/326068271.db2.gz LCVXQELXCVDTQP-ZETCQYMHSA-N 0 3 222.292 0.808 20 0 BCADHN NCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000566678956 326073627 /nfs/dbraw/zinc/07/36/27/326073627.db2.gz NMZRHJHTQIXBQJ-SFGNSQDASA-N 0 3 210.277 0.019 20 0 BCADHN CNC(=O)CCCN1CCCC[C@@]1(C)C(N)=O ZINC000566686748 326074635 /nfs/dbraw/zinc/07/46/35/326074635.db2.gz QDOWFQQVSDONRJ-LBPRGKRZSA-N 0 3 241.335 0.243 20 0 BCADHN CN[C@@H](C)C(=O)N1CCO[C@H](C(C)C)C1 ZINC000566689969 326075199 /nfs/dbraw/zinc/07/51/99/326075199.db2.gz XFPYQDPLQIIJOK-UWVGGRQHSA-N 0 3 214.309 0.478 20 0 BCADHN CN[C@@H](C)C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000566689970 326075219 /nfs/dbraw/zinc/07/52/19/326075219.db2.gz XFPYQDPLQIIJOK-VHSXEESVSA-N 0 3 214.309 0.478 20 0 BCADHN CC[C@@H](N)C(=O)NC(CC)(CC)C(=O)OC ZINC000566859139 326088991 /nfs/dbraw/zinc/08/89/91/326088991.db2.gz NIVREJWBWBZISX-MRVPVSSYSA-N 0 3 230.308 0.572 20 0 BCADHN CCCNC(=O)CCCN(C)[C@H]1CCNC1=O ZINC000566863349 326089181 /nfs/dbraw/zinc/08/91/81/326089181.db2.gz SPEGLGKULJXWFN-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CC[C@H](N)C(=O)N(C)CCCn1ccnc1C ZINC000566913100 326091531 /nfs/dbraw/zinc/09/15/31/326091531.db2.gz QYKUEFABNLNTPD-NSHDSACASA-N 0 3 238.335 0.777 20 0 BCADHN C[C@@H](CN[C@@H]1CSC[C@H]1C)S(C)(=O)=O ZINC000566910143 326093004 /nfs/dbraw/zinc/09/30/04/326093004.db2.gz FYIOWUZZRVUEGZ-HRDYMLBCSA-N 0 3 237.390 0.761 20 0 BCADHN Cc1ncncc1[C@H](C)N[C@H](C)CC(N)=O ZINC000566923333 326094355 /nfs/dbraw/zinc/09/43/55/326094355.db2.gz FRKQYSSZAZJTQL-APPZFPTMSA-N 0 3 222.292 0.700 20 0 BCADHN Cc1cnc(C)nc1N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000566926372 326095140 /nfs/dbraw/zinc/09/51/40/326095140.db2.gz MFNFZIQYZLLXKH-QWRGUYRKSA-N 0 3 236.319 0.205 20 0 BCADHN COC(=O)[C@H](CNC(=O)[C@@H]1C[C@@H]1N)CC1CC1 ZINC000566981081 326099317 /nfs/dbraw/zinc/09/93/17/326099317.db2.gz RKAYJVLAGLBUOQ-AEJSXWLSSA-N 0 3 240.303 0.039 20 0 BCADHN Cc1ccc(CNC(CO)CO)c(C)n1 ZINC000566981939 326099687 /nfs/dbraw/zinc/09/96/87/326099687.db2.gz QPZKSNLHBVOMLH-UHFFFAOYSA-N 0 3 210.277 0.141 20 0 BCADHN C[C@@H]1CN(C(=O)CC(F)(F)CN)[C@H](C)CN1 ZINC000567057619 326108063 /nfs/dbraw/zinc/10/80/63/326108063.db2.gz RTHFGQGOAFTJTE-HTQZYQBOSA-N 0 3 235.278 0.179 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)NCC(C)(F)F)C1 ZINC000567084607 326113084 /nfs/dbraw/zinc/11/30/84/326113084.db2.gz DQYDCKLRKCYGGO-QMMMGPOBSA-N 0 3 235.278 0.987 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)[C@@H](O)C1CC1 ZINC000567102840 326115983 /nfs/dbraw/zinc/11/59/83/326115983.db2.gz UQDKNOIFOCQVFI-NSHDSACASA-N 0 3 226.320 0.310 20 0 BCADHN N[C@H](CC(F)F)C(=O)N1CCOCC12CCC2 ZINC000567119310 326118941 /nfs/dbraw/zinc/11/89/41/326118941.db2.gz FKPNXCHJKOKKSZ-MRVPVSSYSA-N 0 3 248.273 0.750 20 0 BCADHN C[C@H]1CN(CCCC(=O)N(C)C)[C@@H](C)CN1C ZINC000567120822 326119424 /nfs/dbraw/zinc/11/94/24/326119424.db2.gz OAGLXCILKYYZPM-RYUDHWBXSA-N 0 3 241.379 0.879 20 0 BCADHN CNC(=O)CCN1CCOC2(CCC2)C1 ZINC000154311510 326139011 /nfs/dbraw/zinc/13/90/11/326139011.db2.gz MKKHUAVFEQQDHZ-UHFFFAOYSA-N 0 3 212.293 0.377 20 0 BCADHN CC[C@H]1CN(C(=O)CNC2CC2)C[C@H](C)O1 ZINC000154321727 326139859 /nfs/dbraw/zinc/13/98/59/326139859.db2.gz YEJAGGBANJWSLJ-ONGXEEELSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@H](C(=O)NCC(C)(C)C(=O)OC)N(C)C ZINC000154581580 326151993 /nfs/dbraw/zinc/15/19/93/326151993.db2.gz MKZFJEQRNZGKFF-SECBINFHSA-N 0 3 244.335 0.642 20 0 BCADHN C[C@@H]1C[C@H](N[C@H](Cc2ccccc2)C(N)=O)CO1 ZINC000567270929 326153912 /nfs/dbraw/zinc/15/39/12/326153912.db2.gz UXDYTNCHUVMPPC-KGYLQXTDSA-N 0 3 248.326 0.850 20 0 BCADHN NC1(c2noc([C@@H]3CCCN3)n2)CCC1 ZINC000309588884 326160807 /nfs/dbraw/zinc/16/08/07/326160807.db2.gz XVPWIKNZVRYZIE-ZETCQYMHSA-N 0 3 208.265 0.832 20 0 BCADHN C[C@@H]1CCN(CCNCc2ccn(C)n2)C1 ZINC000309800416 326168568 /nfs/dbraw/zinc/16/85/68/326168568.db2.gz RBNFGZOAXXINIY-LLVKDONJSA-N 0 3 222.336 0.852 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)NC1(C2CC2)CC1 ZINC000309938227 326176206 /nfs/dbraw/zinc/17/62/06/326176206.db2.gz ARPSMCNBGDFVEI-ZETCQYMHSA-N 0 3 225.292 0.363 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)NC1(C2CC2)CC1 ZINC000309938226 326176238 /nfs/dbraw/zinc/17/62/38/326176238.db2.gz ARPSMCNBGDFVEI-SSDOTTSWSA-N 0 3 225.292 0.363 20 0 BCADHN CC[C@H](C(=O)N(C)CCCC(=O)NC)N(C)C ZINC000154999518 326177906 /nfs/dbraw/zinc/17/79/06/326177906.db2.gz XMQCUBAEHSBAFD-SNVBAGLBSA-N 0 3 243.351 0.311 20 0 BCADHN CCC(CC)(CCO)NCc1nncn1C ZINC000310008035 326179436 /nfs/dbraw/zinc/17/94/36/326179436.db2.gz HMDCOIADGAHKNS-UHFFFAOYSA-N 0 3 226.324 0.846 20 0 BCADHN CNC(=O)CCCN(C)[C@@H](C)C(=O)NC1CC1 ZINC000155122354 326186374 /nfs/dbraw/zinc/18/63/74/326186374.db2.gz JWQSZDBJUUKYKK-VIFPVBQESA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)N1CCCC1)[C@@H](C)O ZINC000567480617 326201111 /nfs/dbraw/zinc/20/11/11/326201111.db2.gz DYKQXKROAFIPPQ-UTUOFQBUSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)OCCCN1CC(C)(C(N)=O)C1 ZINC000567498226 326204981 /nfs/dbraw/zinc/20/49/81/326204981.db2.gz KNAJOFBCTXZFLT-UHFFFAOYSA-N 0 3 214.309 0.609 20 0 BCADHN CNCC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000567514267 326208112 /nfs/dbraw/zinc/20/81/12/326208112.db2.gz KYGRMPAHQMWNBG-NSHDSACASA-N 0 3 236.319 0.693 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)CN(CC)CC ZINC000155784574 326212287 /nfs/dbraw/zinc/21/22/87/326212287.db2.gz UEIBHVZHBXZKCW-WDEREUQCSA-N 0 3 230.352 0.851 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2ccncn2)C1 ZINC000567560547 326216941 /nfs/dbraw/zinc/21/69/41/326216941.db2.gz PUZMLIVQZLFAQL-JTQLQIEISA-N 0 3 234.303 0.548 20 0 BCADHN C[C@@H](NCC(=O)N1CCNCC1)c1ccccc1 ZINC000567639079 326236223 /nfs/dbraw/zinc/23/62/23/326236223.db2.gz RDQNVMDNBSORPS-GFCCVEGCSA-N 0 3 247.342 0.769 20 0 BCADHN CC(C)OCCCC(=O)NC[C@H]1CNCCO1 ZINC000567674744 326243105 /nfs/dbraw/zinc/24/31/05/326243105.db2.gz ALYHXPYGRZHQCJ-LLVKDONJSA-N 0 3 244.335 0.296 20 0 BCADHN C[C@@H](O)[C@H](C)NCC(=O)N1CCc2ccccc21 ZINC000567682668 326244356 /nfs/dbraw/zinc/24/43/56/326244356.db2.gz ZNLOQMISEKNBAH-WDEREUQCSA-N 0 3 248.326 0.935 20 0 BCADHN CCOCC[C@H](O)CNCc1snnc1C ZINC000567696892 326246862 /nfs/dbraw/zinc/24/68/62/326246862.db2.gz KDIVVVYFCMVUGD-VIFPVBQESA-N 0 3 245.348 0.724 20 0 BCADHN C[C@@H](CN[C@@H]1[C@@H]2CCC[C@@H]21)S(C)(=O)=O ZINC000567699289 326247266 /nfs/dbraw/zinc/24/72/66/326247266.db2.gz HYOYDSOCIKLAME-QEYWKRMJSA-N 0 3 217.334 0.808 20 0 BCADHN O[C@H](CN[C@@H]1CCC[C@@H]1F)Cn1cccn1 ZINC000567697099 326247387 /nfs/dbraw/zinc/24/73/87/326247387.db2.gz ONWWUWJTZVCBNM-OUAUKWLOSA-N 0 3 227.283 0.724 20 0 BCADHN CCOC(C)(C)CNC[C@@H](C)S(C)(=O)=O ZINC000567711398 326249854 /nfs/dbraw/zinc/24/98/54/326249854.db2.gz AERINLMOVVMFNZ-SECBINFHSA-N 0 3 237.365 0.824 20 0 BCADHN Cc1cc(NC(=O)[C@@H](C)NC2CC2)c(=O)n(C)c1 ZINC000567818543 326262739 /nfs/dbraw/zinc/26/27/39/326262739.db2.gz FTHLIDIXLUSFAA-SECBINFHSA-N 0 3 249.314 0.773 20 0 BCADHN COC(=O)CCCN(C)CCNC(=O)C(C)C ZINC000157307710 326267051 /nfs/dbraw/zinc/26/70/51/326267051.db2.gz VZJGJEDSLJSUPE-UHFFFAOYSA-N 0 3 244.335 0.644 20 0 BCADHN CC[C@@H](O)CN(C)CCNC(=O)C(C)C ZINC000157320296 326267767 /nfs/dbraw/zinc/26/77/67/326267767.db2.gz LNDFKVWJUJYAKS-SNVBAGLBSA-N 0 3 216.325 0.461 20 0 BCADHN CCOCCN(C)CCNC(=O)C(C)C ZINC000157503191 326279007 /nfs/dbraw/zinc/27/90/07/326279007.db2.gz BGIMZQYDIVQFHK-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN COC[C@H](C)N(C)CCNC(=O)C(C)C ZINC000157401488 326272838 /nfs/dbraw/zinc/27/28/38/326272838.db2.gz YXESFKSSJKHFGN-JTQLQIEISA-N 0 3 216.325 0.725 20 0 BCADHN CSCC[C@@H](N)C(=O)N(C)CCSC ZINC000157412588 326273721 /nfs/dbraw/zinc/27/37/21/326273721.db2.gz FAYNAUFVDDFRLV-MRVPVSSYSA-N 0 3 236.406 0.888 20 0 BCADHN CCC[C@H]1CNCCN1C(=O)[C@H](N)CC(F)F ZINC000567907875 326281298 /nfs/dbraw/zinc/28/12/98/326281298.db2.gz DGGWBGBMYRMYQO-DTWKUNHWSA-N 0 3 249.305 0.569 20 0 BCADHN CCN(CC1CC1)[C@@H](C)C(=O)NCC(=O)OC ZINC000157985931 326303152 /nfs/dbraw/zinc/30/31/52/326303152.db2.gz HYQQEXNDUJQDHA-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN CNCC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000568085731 326306299 /nfs/dbraw/zinc/30/62/99/326306299.db2.gz WIUYBBGJYILYAD-NXEZZACHSA-N 0 3 212.293 0.280 20 0 BCADHN [NH3+][C@@H](C[N-]S(=O)(=O)c1cscn1)C1CC1 ZINC000568087841 326306711 /nfs/dbraw/zinc/30/67/11/326306711.db2.gz XNMCSDHBKGGCCG-ZETCQYMHSA-N 0 3 247.345 0.159 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCC[C@H](O)C1)N(C)C ZINC000158106138 326308572 /nfs/dbraw/zinc/30/85/72/326308572.db2.gz VWXWGDYFZXZERY-GRYCIOLGSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](CC(=O)N1CCN[C@@H](C)C1)n1ccnc1 ZINC000568153069 326314344 /nfs/dbraw/zinc/31/43/44/326314344.db2.gz VIOOVAZRJBNAQR-WDEREUQCSA-N 0 3 236.319 0.655 20 0 BCADHN CN[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1=O ZINC000568161847 326316717 /nfs/dbraw/zinc/31/67/17/326316717.db2.gz KHAVMHGALBATGX-MRVPVSSYSA-N 0 3 240.209 0.816 20 0 BCADHN O=C1NCC[C@@]12CCCN2CCOC1CCC1 ZINC000568177948 326320698 /nfs/dbraw/zinc/32/06/98/326320698.db2.gz CXSSGWAECNAICX-ZDUSSCGKSA-N 0 3 238.331 0.910 20 0 BCADHN C[C@@H](CCCO)CNC(=O)CN1CC[C@@H](C)C1 ZINC000568228738 326329615 /nfs/dbraw/zinc/32/96/15/326329615.db2.gz IMWDSFICEYDZCT-NWDGAFQWSA-N 0 3 242.363 0.853 20 0 BCADHN O=C(CNC1CC1)NCc1cn2ccccc2n1 ZINC000568260503 326336810 /nfs/dbraw/zinc/33/68/10/326336810.db2.gz ZCPDVJDHDCCOEV-UHFFFAOYSA-N 0 3 244.298 0.703 20 0 BCADHN O=C(CNC1CC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000158803762 326343562 /nfs/dbraw/zinc/34/35/62/326343562.db2.gz GVOOTRVYJHBUAG-PHIMTYICSA-N 0 3 223.320 0.091 20 0 BCADHN CC[C@@H](O)CN(C)[C@@H](CO)COC(C)C ZINC000568348479 326347129 /nfs/dbraw/zinc/34/71/29/326347129.db2.gz PKTJXCJHDRHLKL-WDEREUQCSA-N 0 3 219.325 0.475 20 0 BCADHN CN1CCN(CCCNC(=O)C2(C)CC2)CC1 ZINC000159191694 326352780 /nfs/dbraw/zinc/35/27/80/326352780.db2.gz HNNVHSZFPXJBPO-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1c(C)nn(C)c1C ZINC000568411292 326355722 /nfs/dbraw/zinc/35/57/22/326355722.db2.gz MQXQFUPRCFAXRN-VIFPVBQESA-N 0 3 238.335 0.304 20 0 BCADHN C[NH+](C)CCC[N-]S(=O)(=O)c1cscn1 ZINC000568505296 326360425 /nfs/dbraw/zinc/36/04/25/326360425.db2.gz QUUDZSVLHSBTPG-UHFFFAOYSA-N 0 3 249.361 0.373 20 0 BCADHN CSCCCCC(=O)NC[C@@H]1CNCCO1 ZINC000568618092 326367926 /nfs/dbraw/zinc/36/79/26/326367926.db2.gz ITORTOWNEIXPJH-JTQLQIEISA-N 0 3 246.376 0.624 20 0 BCADHN Cc1noc(C)c1CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000568707791 326372746 /nfs/dbraw/zinc/37/27/46/326372746.db2.gz ZAXMVZPUNVUPLC-RYUDHWBXSA-N 0 3 239.319 0.398 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CCC[C@H](c2ncc[nH]2)C1 ZINC000568722707 326373538 /nfs/dbraw/zinc/37/35/38/326373538.db2.gz VDYSOEUMHSLVSZ-GARJFASQSA-N 0 3 237.303 0.349 20 0 BCADHN O[C@@H]1COC[C@H]1N1CCC[C@H](c2ncc[nH]2)C1 ZINC000568722709 326373742 /nfs/dbraw/zinc/37/37/42/326373742.db2.gz VDYSOEUMHSLVSZ-HBNTYKKESA-N 0 3 237.303 0.349 20 0 BCADHN CCOC1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000568777844 326377016 /nfs/dbraw/zinc/37/70/16/326377016.db2.gz JGGNMEGKUDIPRN-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN NCC(=O)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000568988534 326385000 /nfs/dbraw/zinc/38/50/00/326385000.db2.gz WDEKFGYFIXHQBT-NXEZZACHSA-N 0 3 212.293 0.363 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1noc2ccccc12 ZINC000569019700 326387318 /nfs/dbraw/zinc/38/73/18/326387318.db2.gz NJVGKBFSXWEESQ-NSHDSACASA-N 0 3 249.270 0.418 20 0 BCADHN C[C@@H](CN1CCCCC1)NC(=O)C(C)(C)CO ZINC000569063040 326388314 /nfs/dbraw/zinc/38/83/14/326388314.db2.gz RIRLLMUOCMQJLC-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CCc1ccc(CN2C[C@H](O)[C@@H](N(C)C)C2)nc1 ZINC000569234643 326396401 /nfs/dbraw/zinc/39/64/01/326396401.db2.gz FYZBNKAGLNCGKW-KBPBESRZSA-N 0 3 249.358 0.751 20 0 BCADHN CN1CCC[C@H](N[C@@H]2COCC2(C)C)C1=O ZINC000569316705 326399752 /nfs/dbraw/zinc/39/97/52/326399752.db2.gz WJDBRFZAWQEOCX-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](C(=O)NC[C@H]1CNCCO1)C1CC1 ZINC000163359776 326400994 /nfs/dbraw/zinc/40/09/94/326400994.db2.gz BVNTUFKYJLUFOM-WCBMZHEXSA-N 0 3 212.293 0.137 20 0 BCADHN CC1(C)[C@@H](O)C[C@@H]1NCC(=O)NCC1CC1 ZINC000163445374 326401960 /nfs/dbraw/zinc/40/19/60/326401960.db2.gz RBCOHJJNHFIZCQ-UWVGGRQHSA-N 0 3 226.320 0.262 20 0 BCADHN C[C@H](O)CN[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000572952718 326420572 /nfs/dbraw/zinc/42/05/72/326420572.db2.gz FYIYFVJJXYZUHE-QWRGUYRKSA-N 0 3 234.299 0.762 20 0 BCADHN C[C@@H]([N-]S(=O)(=O)c1cscn1)[C@H](C)[NH3+] ZINC000573089196 326428915 /nfs/dbraw/zinc/42/89/15/326428915.db2.gz AQGKTAZOVRFYDB-NTSWFWBYSA-N 0 3 235.334 0.157 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000653204955 487974655 /nfs/dbraw/zinc/97/46/55/487974655.db2.gz KWYNPLSZPGTGCZ-JTQLQIEISA-N 0 3 233.315 0.877 20 0 BCADHN NC(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C(F)(F)F ZINC000653203853 487975132 /nfs/dbraw/zinc/97/51/32/487975132.db2.gz ARPIYRJAVSMJIT-JWXFUTCRSA-N 0 3 238.209 0.312 20 0 BCADHN NCC(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000655522621 487978264 /nfs/dbraw/zinc/97/82/64/487978264.db2.gz QBUHDAKPNFLLRP-RQJHMYQMSA-N 0 3 240.225 0.561 20 0 BCADHN NCC(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000655522619 487978353 /nfs/dbraw/zinc/97/83/53/487978353.db2.gz QBUHDAKPNFLLRP-NKWVEPMBSA-N 0 3 240.225 0.561 20 0 BCADHN NC[C@@H](NC(=O)[C@@H]1CCCOC1)C(F)(F)F ZINC000401758751 487981068 /nfs/dbraw/zinc/98/10/68/487981068.db2.gz SWTAQRGHWYHYDV-RNFRBKRXSA-N 0 3 240.225 0.419 20 0 BCADHN CCN1CCN(c2ncnc3nc[nH]c32)C[C@H]1C ZINC000677152251 487984564 /nfs/dbraw/zinc/98/45/64/487984564.db2.gz AQGRKBNYIFGPAZ-SECBINFHSA-N 0 3 246.318 0.883 20 0 BCADHN CCN1CCN(c2ncnc3[nH]cnc32)C[C@H]1C ZINC000677152251 487984567 /nfs/dbraw/zinc/98/45/67/487984567.db2.gz AQGRKBNYIFGPAZ-SECBINFHSA-N 0 3 246.318 0.883 20 0 BCADHN CCN1CCN(c2ncnc3n[nH]cc32)C[C@H]1C ZINC000677153351 487984591 /nfs/dbraw/zinc/98/45/91/487984591.db2.gz XQQMFGBGAHVKBL-SECBINFHSA-N 0 3 246.318 0.883 20 0 BCADHN CCCN(C)CC(=O)N1CCN(CC)[C@H](C)C1 ZINC000677183517 487986140 /nfs/dbraw/zinc/98/61/40/487986140.db2.gz VHZANHPEPMIWDH-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN Cc1cn[nH]c1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000668600561 487990724 /nfs/dbraw/zinc/99/07/24/487990724.db2.gz TYLQAKPYRGQFQK-GXSJLCMTSA-N 0 3 207.277 0.675 20 0 BCADHN CC[C@H](C(=O)N1CCN(CC)[C@H](C)C1)N(C)C ZINC000677182365 487993398 /nfs/dbraw/zinc/99/33/98/487993398.db2.gz FYMNVDQEHAAIPN-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN CCN(CC)CC(=O)N1CCN(CC)[C@@H](C)C1 ZINC000677184082 487992950 /nfs/dbraw/zinc/99/29/50/487992950.db2.gz JSYBXSVPSNJDCQ-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CN1CCCN(C(=O)NCCOCCF)CC1 ZINC000667403149 487996541 /nfs/dbraw/zinc/99/65/41/487996541.db2.gz CWPCZPDFAJYANT-UHFFFAOYSA-N 0 3 247.314 0.320 20 0 BCADHN CCO[C@@H]1CCN([C@H](CC)C(N)=O)C[C@@H]1C ZINC000451539870 487999931 /nfs/dbraw/zinc/99/99/31/487999931.db2.gz KMFDJHLHNXPZPR-HBNTYKKESA-N 0 3 228.336 0.997 20 0 BCADHN CCc1noc(Cn2cc([C@H](N)CC)nn2)n1 ZINC000229936553 487999555 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/nfs/dbraw/zinc/16/34/38/488163438.db2.gz XEPLWFRUCQEMQG-WDEREUQCSA-N 0 3 226.320 0.622 20 0 BCADHN CCCN1CC[C@H](Nc2cnccn2)C1 ZINC000389164269 488165581 /nfs/dbraw/zinc/16/55/81/488165581.db2.gz MHMXVTSTUOJDII-JTQLQIEISA-N 0 3 206.293 0.795 20 0 BCADHN COC[C@@H](CCO)N[C@H]1CCCn2nccc21 ZINC000657888507 488167858 /nfs/dbraw/zinc/16/78/58/488167858.db2.gz MIFKALSUGNNXSF-MNOVXSKESA-N 0 3 239.319 0.705 20 0 BCADHN COCCNCC(=O)N[C@H]1CCS[C@H]1C ZINC000380028770 488168272 /nfs/dbraw/zinc/16/82/72/488168272.db2.gz ZUKWDPDENMUABV-IUCAKERBSA-N 0 3 232.349 0.233 20 0 BCADHN CNCC(=O)N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000077426711 488170448 /nfs/dbraw/zinc/17/04/48/488170448.db2.gz QGEQOGBERXVUIL-ZETCQYMHSA-N 0 3 249.270 0.518 20 0 BCADHN CNCC(=O)N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000077426718 488171214 /nfs/dbraw/zinc/17/12/14/488171214.db2.gz QGEQOGBERXVUIL-SSDOTTSWSA-N 0 3 249.270 0.518 20 0 BCADHN CC(C)O[C@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000404627953 488172248 /nfs/dbraw/zinc/17/22/48/488172248.db2.gz FBXIQYLHFWPFGI-STQMWFEESA-N 0 3 242.363 0.864 20 0 BCADHN N[C@@H](C(=O)N1CCCc2n[nH]cc2C1)C1CCC1 ZINC000404627428 488172596 /nfs/dbraw/zinc/17/25/96/488172596.db2.gz SKSLFCYWLWPUAC-GFCCVEGCSA-N 0 3 248.330 0.812 20 0 BCADHN CC[C@@H](NC(=O)C1(N)CC1)[C@H]1CCCO1 ZINC000390672505 488173034 /nfs/dbraw/zinc/17/30/34/488173034.db2.gz VZZSUYZQZCOBIH-RKDXNWHRSA-N 0 3 212.293 0.552 20 0 BCADHN CCCn1cc(C(=O)N(C)CCN(C)C)nn1 ZINC000678012231 488173178 /nfs/dbraw/zinc/17/31/78/488173178.db2.gz LMHFZUORIJZVBG-UHFFFAOYSA-N 0 3 239.323 0.322 20 0 BCADHN COCCOC[C@H](O)CN1CC(C)(C)C1 ZINC000390724193 488176079 /nfs/dbraw/zinc/17/60/79/488176079.db2.gz CRSDEBZGIBENIV-SNVBAGLBSA-N 0 3 217.309 0.352 20 0 BCADHN CC(C)(N)C(=O)N1CCCc2n[nH]cc2C1 ZINC000404740055 488176087 /nfs/dbraw/zinc/17/60/87/488176087.db2.gz WFBKRYLBJKWWET-UHFFFAOYSA-N 0 3 222.292 0.422 20 0 BCADHN Cc1nsc(NC(=O)C(C)(C)N)n1 ZINC000131780982 488177758 /nfs/dbraw/zinc/17/77/58/488177758.db2.gz 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238.331 0.862 20 0 BCADHN CN(CCNC(=O)c1nccs1)C1CC1 ZINC000683541494 488191645 /nfs/dbraw/zinc/19/16/45/488191645.db2.gz VONWXMWUNJIRJG-UHFFFAOYSA-N 0 3 225.317 0.967 20 0 BCADHN CC(C)N(C)CC(=O)NC1(CO)CCC1 ZINC000678094021 488195997 /nfs/dbraw/zinc/19/59/97/488195997.db2.gz MDLXNXJNACKQEK-UHFFFAOYSA-N 0 3 214.309 0.358 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)c1nccs1 ZINC000683562252 488196097 /nfs/dbraw/zinc/19/60/97/488196097.db2.gz DJKWJHFNZDGIDY-SNVBAGLBSA-N 0 3 243.332 0.186 20 0 BCADHN CN(C)CCOCCNC(=O)c1nccs1 ZINC000683567415 488197403 /nfs/dbraw/zinc/19/74/03/488197403.db2.gz ZYIFSIRJMCFPFZ-UHFFFAOYSA-N 0 3 243.332 0.451 20 0 BCADHN CN(CCO)Cc1ccccc1-n1cncn1 ZINC000678120768 488199329 /nfs/dbraw/zinc/19/93/29/488199329.db2.gz MDSVJWZJXJULKK-UHFFFAOYSA-N 0 3 232.287 0.691 20 0 BCADHN NC(=O)[C@@H]1CCN(Cc2n[nH]c3ccccc32)C1 ZINC000678120742 488199918 /nfs/dbraw/zinc/19/99/18/488199918.db2.gz ZPRYPZMWJMVEIP-SECBINFHSA-N 0 3 244.298 0.870 20 0 BCADHN NC(=O)[C@@H]1CCN(Cc2[nH]nc3ccccc32)C1 ZINC000678120742 488199920 /nfs/dbraw/zinc/19/99/20/488199920.db2.gz ZPRYPZMWJMVEIP-SECBINFHSA-N 0 3 244.298 0.870 20 0 BCADHN CN[C@@H](C)C(=O)N(C)[C@H]1CCSC1 ZINC000054072041 488207353 /nfs/dbraw/zinc/20/73/53/488207353.db2.gz OUINFUNUVRLRCQ-YUMQZZPRSA-N 0 3 202.323 0.558 20 0 BCADHN CO[C@@H]1CCCC[C@H]1N[C@H]1CCN(C)C1=O ZINC000300399175 488208797 /nfs/dbraw/zinc/20/87/97/488208797.db2.gz QMKYKZQBOWHWBD-OUAUKWLOSA-N 0 3 226.320 0.764 20 0 BCADHN CN(Cc1cccnc1)C[C@@H]1CNCCO1 ZINC000043802248 488209033 /nfs/dbraw/zinc/20/90/33/488209033.db2.gz YQEBBYRLSKJLGU-LBPRGKRZSA-N 0 3 221.304 0.502 20 0 BCADHN C=Cn1cc(CN[C@@H]2CCC[C@H]2C(=O)NC)cn1 ZINC000683704640 488210889 /nfs/dbraw/zinc/21/08/89/488210889.db2.gz CPRDASPPFHUSLH-VXGBXAGGSA-N 0 3 248.330 0.988 20 0 BCADHN C[C@H]1CN(c2nc(N)nc3c2CCCC3)CCN1 ZINC000231611245 488215334 /nfs/dbraw/zinc/21/53/34/488215334.db2.gz CQFCGHYSAXZWPM-VIFPVBQESA-N 0 3 247.346 0.736 20 0 BCADHN CCCn1nccc1CNC[C@H]1CNC(=O)C1 ZINC000398318993 488215505 /nfs/dbraw/zinc/21/55/05/488215505.db2.gz YEDGKJTVOXJCKD-JTQLQIEISA-N 0 3 236.319 0.519 20 0 BCADHN C[C@]1(O)CCCN(C[C@@H]2CCC(=O)N2)C1 ZINC000231645488 488217921 /nfs/dbraw/zinc/21/79/21/488217921.db2.gz XTOXHPVMINVXNA-ONGXEEELSA-N 0 3 212.293 0.112 20 0 BCADHN COCCN(C[C@H](C)CO)[C@H]1CCOC1 ZINC000683802069 488224079 /nfs/dbraw/zinc/22/40/79/488224079.db2.gz KSQJYWMEJXBNSR-QWRGUYRKSA-N 0 3 217.309 0.352 20 0 BCADHN CC(C)(O)CCC(=O)NCCN1CCCC1 ZINC000683815095 488224788 /nfs/dbraw/zinc/22/47/88/488224788.db2.gz RDGBQSBGOMDOSF-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN CN(C)C[C@@H]1CCCCN1C(=O)c1ncc[nH]1 ZINC000668211610 488227139 /nfs/dbraw/zinc/22/71/39/488227139.db2.gz JPIRINQYXSPIJC-JTQLQIEISA-N 0 3 236.319 0.966 20 0 BCADHN CCN1CCN(Cc2ccnn2C)C[C@@H]1C ZINC000678261557 488228913 /nfs/dbraw/zinc/22/89/13/488228913.db2.gz NOGILZVLMMOGNN-NSHDSACASA-N 0 3 222.336 0.946 20 0 BCADHN CC1(C)CN(C[C@H](O)COC2CCOCC2)C1 ZINC000683924339 488245951 /nfs/dbraw/zinc/24/59/51/488245951.db2.gz QPDZJKSGFGURDF-NSHDSACASA-N 0 3 243.347 0.885 20 0 BCADHN Cc1c(CNC[C@@H]2CCCC(=O)N2)cnn1C ZINC000683932607 488246270 /nfs/dbraw/zinc/24/62/70/488246270.db2.gz NOBWNPFDLDOWSG-NSHDSACASA-N 0 3 236.319 0.487 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000678360804 488246465 /nfs/dbraw/zinc/24/64/65/488246465.db2.gz JOCXKFGTRNOJBK-GARJFASQSA-N 0 3 226.320 0.622 20 0 BCADHN COc1ccc(CNC[C@@H]2CCCC(=O)N2)cn1 ZINC000683931589 488247334 /nfs/dbraw/zinc/24/73/34/488247334.db2.gz FDMHRZZICGMKBP-NSHDSACASA-N 0 3 249.314 0.849 20 0 BCADHN CCn1nccc1CNC[C@H]1CCCC(=O)N1 ZINC000683931308 488247348 /nfs/dbraw/zinc/24/73/48/488247348.db2.gz BRPIHGBYCYHXKX-SNVBAGLBSA-N 0 3 236.319 0.661 20 0 BCADHN C=Cn1cc(CNC[C@H]2CCCC(=O)N2)cn1 ZINC000683931741 488247498 /nfs/dbraw/zinc/24/74/98/488247498.db2.gz HKTRNTWUBMXODK-LLVKDONJSA-N 0 3 234.303 0.742 20 0 BCADHN CN(CCCCCO)[C@H]1CCCN(C)C1=O ZINC000684003242 488254818 /nfs/dbraw/zinc/25/48/18/488254818.db2.gz QTAXYDQOXGVKAU-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN Cc1ccc(F)c(CNCCc2nnnn2C)c1 ZINC000678499610 488263162 /nfs/dbraw/zinc/26/31/62/488263162.db2.gz RSCIEABOOPTTEQ-UHFFFAOYSA-N 0 3 249.293 0.990 20 0 BCADHN CN1CCC[C@H](NC(=O)CCc2ncc[nH]2)C1 ZINC000672770097 488265748 /nfs/dbraw/zinc/26/57/48/488265748.db2.gz VRENZBJXNJBLCZ-JTQLQIEISA-N 0 3 236.319 0.553 20 0 BCADHN CN1CCC[C@H](N2CCC[C@@H](CCO)C2)C1=O ZINC000679316791 488334858 /nfs/dbraw/zinc/33/48/58/488334858.db2.gz MTAHOKARXZZKIE-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN COCCN(C)CCNC(=O)N1CC(C)(F)C1 ZINC000684261178 488283204 /nfs/dbraw/zinc/28/32/04/488283204.db2.gz JEHWDLJIIVNTBY-UHFFFAOYSA-N 0 3 247.314 0.318 20 0 BCADHN C[C@H](CO)CN1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000684626801 488335395 /nfs/dbraw/zinc/33/53/95/488335395.db2.gz WJQKILROAATJBR-SRVKXCTJSA-N 0 3 229.320 0.495 20 0 BCADHN CC[C@@H]1CN(C[C@@H](C)CO)C[C@]2(CCOC2)O1 ZINC000684626037 488335400 /nfs/dbraw/zinc/33/54/00/488335400.db2.gz HLRWCSQDZBGHNG-UPJWGTAASA-N 0 3 243.347 0.885 20 0 BCADHN CN1CCC[C@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC000684276500 488284847 /nfs/dbraw/zinc/28/48/47/488284847.db2.gz NGHFEJDLUVQIPD-ZETCQYMHSA-N 0 3 241.316 0.673 20 0 BCADHN C[C@@]1(C(N)=O)CCN(CCn2ccccc2=O)C1 ZINC000684628261 488335605 /nfs/dbraw/zinc/33/56/05/488335605.db2.gz IZCZMNWUTSVITI-CYBMUJFWSA-N 0 3 249.314 0.046 20 0 BCADHN O=C(c1ccc[nH]1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673515958 488291859 /nfs/dbraw/zinc/29/18/59/488291859.db2.gz OVBJYFPVQCFJGI-WDEREUQCSA-N 0 3 249.314 0.296 20 0 BCADHN CCC[C@@H](C)CC(=O)N[C@H](CO)CN(C)C ZINC000673520621 488292761 /nfs/dbraw/zinc/29/27/61/488292761.db2.gz KZNVCJSRJFESQW-MNOVXSKESA-N 0 3 230.352 0.851 20 0 BCADHN CCC[C@H](C)C(=O)N[C@H](CO)CN1CCCC1 ZINC000673532548 488294324 /nfs/dbraw/zinc/29/43/24/488294324.db2.gz TUWGORAECJVMDX-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](C(=O)N[C@@H](CO)CN1CCCC1)C1CC1 ZINC000673531333 488294393 /nfs/dbraw/zinc/29/43/93/488294393.db2.gz NKIWIWGHWXJRBW-ZYHUDNBSSA-N 0 3 240.347 0.605 20 0 BCADHN CC(C)C(=O)N[C@H](CO)CN1CCCC1 ZINC000673530153 488294538 /nfs/dbraw/zinc/29/45/38/488294538.db2.gz CQTHDBAUPUFAMQ-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN CCC(C)(C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000673532183 488294909 /nfs/dbraw/zinc/29/49/09/488294909.db2.gz SLQLOHHCAZMXRB-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN O=C(N[C@H](CO)CN1CCCC1)c1ccccn1 ZINC000673534031 488295098 /nfs/dbraw/zinc/29/50/98/488295098.db2.gz ZIQSYBGLIRIJLJ-NSHDSACASA-N 0 3 249.314 0.268 20 0 BCADHN CN(C)CCn1cc(NCc2ccn(C)n2)cn1 ZINC000678928309 488295852 /nfs/dbraw/zinc/29/58/52/488295852.db2.gz PIPOYDRCCWYHDM-UHFFFAOYSA-N 0 3 248.334 0.790 20 0 BCADHN Cn1cnc(CN[C@@H]2CCn3ccnc3C2)c1 ZINC000673607026 488297641 /nfs/dbraw/zinc/29/76/41/488297641.db2.gz JXJZBXXLSJGKGC-SNVBAGLBSA-N 0 3 231.303 0.721 20 0 BCADHN CN1CCC[C@H](NC(=O)Cc2ccon2)C1 ZINC000673661128 488301546 /nfs/dbraw/zinc/30/15/46/488301546.db2.gz GAPYSSSVNQIOHU-JTQLQIEISA-N 0 3 223.276 0.428 20 0 BCADHN CC(C)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000679067907 488305420 /nfs/dbraw/zinc/30/54/20/488305420.db2.gz VMSALCXVMFIGRP-KOLCDFICSA-N 0 3 236.319 0.912 20 0 BCADHN CCN(C[C@@H]1CCOC1)[C@H]1CCCN(C)C1=O ZINC000679311698 488334020 /nfs/dbraw/zinc/33/40/20/488334020.db2.gz PCUKZGMSRVUVHJ-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)NC1(CCO)CCN(C)CC1 ZINC000679401605 488350763 /nfs/dbraw/zinc/35/07/63/488350763.db2.gz YWNQKLYEIRSLBL-GHMZBOCLSA-N 0 3 240.347 0.605 20 0 BCADHN CN(CCC(=O)N[C@H]1CCOC1)c1ccncc1 ZINC000679412414 488351587 /nfs/dbraw/zinc/35/15/87/488351587.db2.gz SCMOESQHFHXSHF-NSHDSACASA-N 0 3 249.314 0.813 20 0 BCADHN CN(C)CC1(NC(=O)c2ccn(C)n2)CCC1 ZINC000684942457 488354428 /nfs/dbraw/zinc/35/44/28/488354428.db2.gz IGXVCZFJTGERHM-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN COCC(=O)NC1CCN(C[C@H](C)OC)CC1 ZINC000679850463 488369051 /nfs/dbraw/zinc/36/90/51/488369051.db2.gz GMHAASWLBMEECW-JTQLQIEISA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@](O)(C[C@@H](O)CN1CCCOCC1)C1CC1 ZINC000630038242 490093383 /nfs/dbraw/zinc/09/33/83/490093383.db2.gz VCEWBNLXFXUUFP-CHWSQXEVSA-N 0 3 243.347 0.621 20 0 BCADHN CC[C@H](O)CCNC(=O)C1(N)CCCC1 ZINC000157585369 490048362 /nfs/dbraw/zinc/04/83/62/490048362.db2.gz HFHBQSQLFBTDRE-VIFPVBQESA-N 0 3 214.309 0.535 20 0 BCADHN Cc1nccc(NC[C@@H]2CSCCN2)n1 ZINC000641686979 490102330 /nfs/dbraw/zinc/10/23/30/490102330.db2.gz GJIZVUDUJQWPNH-SECBINFHSA-N 0 3 224.333 0.902 20 0 BCADHN N[C@@H](C(=O)NCC1(CO)CC1)C1CCC1 ZINC000399243026 490092342 /nfs/dbraw/zinc/09/23/42/490092342.db2.gz UTOVRTCMMUPHBS-SECBINFHSA-N 0 3 212.293 0.003 20 0 BCADHN CC1(C)[C@H](NCCn2ccccc2=O)C[C@@H]1O ZINC000129546975 490151088 /nfs/dbraw/zinc/15/10/88/490151088.db2.gz YJIPHLISEXKYBJ-MNOVXSKESA-N 0 3 236.315 0.597 20 0 BCADHN O=S1(=O)CCC[C@H](N[C@H]2CCC[C@@H]2O)C1 ZINC000225619974 490153274 /nfs/dbraw/zinc/15/32/74/490153274.db2.gz BUCHOUHGMORKFY-GUBZILKMSA-N 0 3 233.333 0.067 20 0 BCADHN Cc1nccnc1[C@@H](C)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652259805 490176522 /nfs/dbraw/zinc/17/65/22/490176522.db2.gz WWQVKYOZCDXRSD-BBBLOLIVSA-N 0 3 234.303 0.700 20 0 BCADHN C[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1ccnn1C ZINC000652259675 490176777 /nfs/dbraw/zinc/17/67/77/490176777.db2.gz UKUNWCQMWQFYAS-HLTSFMKQSA-N 0 3 222.292 0.335 20 0 BCADHN CCC[C@H]1C(=O)NCCN1C[C@H]1CCCN1C ZINC000649572509 490195907 /nfs/dbraw/zinc/19/59/07/490195907.db2.gz YTWCHIDOYGCOFK-NEPJUHHUSA-N 0 3 239.363 0.681 20 0 BCADHN O[C@@H](CN[C@H]1CCC[C@@H]1O)C(F)(F)F ZINC000236555281 490200515 /nfs/dbraw/zinc/20/05/15/490200515.db2.gz XTAHSQWXPQUDMP-ACZMJKKPSA-N 0 3 213.199 0.413 20 0 BCADHN C[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000092457777 490202526 /nfs/dbraw/zinc/20/25/26/490202526.db2.gz GUUXLVAALYVQOY-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN CN(C[C@H]1CN(C)CCO1)[C@@H]1CCCOC1 ZINC000674303182 490206235 /nfs/dbraw/zinc/20/62/35/490206235.db2.gz UPWXSGQDEULTAK-VXGBXAGGSA-N 0 3 228.336 0.428 20 0 BCADHN COc1ccnc(C(=O)N2C[C@@H](C)NC[C@H]2C)c1 ZINC000237357532 490207341 /nfs/dbraw/zinc/20/73/41/490207341.db2.gz JGDKRFZWGYZVPV-NXEZZACHSA-N 0 3 249.314 0.913 20 0 BCADHN OCCCN1CCN(CCCF)CC1 ZINC000402552032 490215149 /nfs/dbraw/zinc/21/51/49/490215149.db2.gz FMUPZNPPHAFTDQ-UHFFFAOYSA-N 0 3 204.289 0.346 20 0 BCADHN C[C@@H](CNC(=O)[C@H](C)N(C)C)N(C)C1CC1 ZINC000078711938 490220078 /nfs/dbraw/zinc/22/00/78/490220078.db2.gz IRWLRKFJNQOKBP-UWVGGRQHSA-N 0 3 227.352 0.535 20 0 BCADHN C[C@H]1CC[C@@H](N[C@@H]2COC[C@H]2O)CS1 ZINC000655773203 490229796 /nfs/dbraw/zinc/22/97/96/490229796.db2.gz YFPGVBQASZWQJN-SGIHWFKDSA-N 0 3 217.334 0.620 20 0 BCADHN C[C@@H](Cn1cccn1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000123445085 490236581 /nfs/dbraw/zinc/23/65/81/490236581.db2.gz FJFQVGUMNWTTOY-WDEREUQCSA-N 0 3 248.330 0.625 20 0 BCADHN CN(C)CCn1ncc2ccccc2c1=O ZINC000033867928 490251902 /nfs/dbraw/zinc/25/19/02/490251902.db2.gz AFGHQNXDVFYWOK-UHFFFAOYSA-N 0 3 217.272 0.958 20 0 BCADHN O=C(CN[C@H]1CCCOC1)NC1CCCC1 ZINC000071013263 490252599 /nfs/dbraw/zinc/25/25/99/490252599.db2.gz FNSULSQIUDVIQJ-NSHDSACASA-N 0 3 226.320 0.814 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@@H](N)CC(F)F ZINC000336712838 490270694 /nfs/dbraw/zinc/27/06/94/490270694.db2.gz VEAXTUXHALESDY-BQBZGAKWSA-N 0 3 224.251 0.198 20 0 BCADHN C[C@@H](NCCO)c1ccc2c(c1)CC(=O)N2C ZINC000268757950 490279916 /nfs/dbraw/zinc/27/99/16/490279916.db2.gz YNQCHTWXIKZRHF-SECBINFHSA-N 0 3 234.299 0.848 20 0 BCADHN COCCNC(=O)c1cccc2c1CCNC2 ZINC000124073849 490283813 /nfs/dbraw/zinc/28/38/13/490283813.db2.gz PKIDINLQQKBNJU-UHFFFAOYSA-N 0 3 234.299 0.709 20 0 BCADHN O=C(Cn1ccnc1)N1CC[C@@H](N2CCCC2)C1 ZINC000558645684 490285742 /nfs/dbraw/zinc/28/57/42/490285742.db2.gz IDRYXSWZKGKLCX-GFCCVEGCSA-N 0 3 248.330 0.580 20 0 BCADHN Cn1nnnc1CCN[C@@H]1CCCn2nccc21 ZINC000657909454 490295783 /nfs/dbraw/zinc/29/57/83/490295783.db2.gz MAMLTEWQFCMDOM-SECBINFHSA-N 0 3 247.306 0.074 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2ccnnc2C)C1 ZINC000677051059 490332902 /nfs/dbraw/zinc/33/29/02/490332902.db2.gz PNKIOVWUGNGHRG-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC1CC(C)(C)C1 ZINC000668505662 490340112 /nfs/dbraw/zinc/34/01/12/490340112.db2.gz CDHVGBIYZBAVDT-ZJUUUORDSA-N 0 3 247.360 0.577 20 0 BCADHN CC(C)[C@@H](CO)NCc1cc(C(N)=O)cs1 ZINC000086573804 490348832 /nfs/dbraw/zinc/34/88/32/490348832.db2.gz HWAJDJYSBHBPQD-SNVBAGLBSA-N 0 3 242.344 0.954 20 0 BCADHN O=C(N[C@H]1CCOC1)c1cccc2c1CCNC2 ZINC000124367609 490355962 /nfs/dbraw/zinc/35/59/62/490355962.db2.gz VMITXBJMMVLLOK-NSHDSACASA-N 0 3 246.310 0.851 20 0 BCADHN CCc1nn(C)cc1CN(C)CC1CN(C)C1 ZINC000668538808 490357134 /nfs/dbraw/zinc/35/71/34/490357134.db2.gz CUUUWZSCYORPPL-UHFFFAOYSA-N 0 3 236.363 0.976 20 0 BCADHN CO[C@@H](C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000134515594 490362617 /nfs/dbraw/zinc/36/26/17/490362617.db2.gz IHWXVBBRHYZKBG-VIFPVBQESA-N 0 3 234.299 0.941 20 0 BCADHN NC1(C(=O)NCc2c[nH]cn2)CCCC1 ZINC000084081111 490365390 /nfs/dbraw/zinc/36/53/90/490365390.db2.gz DYKNJKAPUZAXKJ-UHFFFAOYSA-N 0 3 208.265 0.297 20 0 BCADHN CCC[C@H](N)c1cn(-c2ccn(C)n2)nn1 ZINC000229930467 490366917 /nfs/dbraw/zinc/36/69/17/490366917.db2.gz TYRAIPCWGATWAA-QMMMGPOBSA-N 0 3 220.280 0.801 20 0 BCADHN CCC[C@@H](N)c1cn(C[C@@H](O)COC)nn1 ZINC000229954089 490372332 /nfs/dbraw/zinc/37/23/32/490372332.db2.gz CYVHGFPLTACBRB-RKDXNWHRSA-N 0 3 228.296 0.085 20 0 BCADHN O=C1N[C@H]2CN(C[C@@H]3CCCO3)CC[C@@H]2CO1 ZINC000366914910 490389087 /nfs/dbraw/zinc/38/90/87/490389087.db2.gz QNAMBPDMQBHKRY-VWYCJHECSA-N 0 3 240.303 0.596 20 0 BCADHN CN1CC[C@@H](CNC(=O)c2nccs2)C1 ZINC000221783760 490425953 /nfs/dbraw/zinc/42/59/53/490425953.db2.gz OXRQRMXJDRRKNB-QMMMGPOBSA-N 0 3 225.317 0.825 20 0 BCADHN COCCOCCN(CC(N)=O)C1CCCC1 ZINC000079400034 490431431 /nfs/dbraw/zinc/43/14/31/490431431.db2.gz LPLDYSDZJPOUCT-UHFFFAOYSA-N 0 3 244.335 0.379 20 0 BCADHN COCCOCCN(C)C[C@@H](O)C1CC1 ZINC000079767846 490459657 /nfs/dbraw/zinc/45/96/57/490459657.db2.gz BQUMNZVUFKITTJ-LLVKDONJSA-N 0 3 217.309 0.352 20 0 BCADHN CC(C)[C@H](C(=O)NCC(C)(C)CO)N(C)C ZINC000127706104 490553572 /nfs/dbraw/zinc/55/35/72/490553572.db2.gz ACEIHZYBEWVRPP-SNVBAGLBSA-N 0 3 230.352 0.707 20 0 BCADHN CC[C@@H]1CN(CCn2ccccc2=O)C[C@@H]1O ZINC000400302484 490555504 /nfs/dbraw/zinc/55/55/04/490555504.db2.gz VMBMLYLBEGYAND-NEPJUHHUSA-N 0 3 236.315 0.551 20 0 BCADHN COC[C@@H](C)N1CCC(CO)(OC)CC1 ZINC000401749410 490585663 /nfs/dbraw/zinc/58/56/63/490585663.db2.gz MKKXMXJIJODCCV-SNVBAGLBSA-N 0 3 217.309 0.495 20 0 BCADHN COC1(CO)CCN([C@@H]2CCCOC2)CC1 ZINC000401777637 490587116 /nfs/dbraw/zinc/58/71/16/490587116.db2.gz ULJSMTVSXMGYIY-LLVKDONJSA-N 0 3 229.320 0.639 20 0 BCADHN CC(C)[C@H](NCCO)C(=O)N1CCCC1 ZINC000305774072 490587954 /nfs/dbraw/zinc/58/79/54/490587954.db2.gz MEJSZXMPXYVMKI-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN C[C@H]1SCC[C@@H]1NCc1cnnn1C ZINC000306582031 490643208 /nfs/dbraw/zinc/64/32/08/490643208.db2.gz HWCUDBPHQFIRSC-APPZFPTMSA-N 0 3 212.322 0.799 20 0 BCADHN O=C1CCCN1[C@@H]1CCN([C@@H]2CCCOC2)C1 ZINC000677738050 490660897 /nfs/dbraw/zinc/66/08/97/490660897.db2.gz BKSQDTLHTHSXEI-VXGBXAGGSA-N 0 3 238.331 0.862 20 0 BCADHN CC(C)(O)CN1CCN([C@H]2CCCOC2)CC1 ZINC000227080370 491054831 /nfs/dbraw/zinc/05/48/31/491054831.db2.gz SCDGKCXSWLQRBC-LBPRGKRZSA-N 0 3 242.363 0.554 20 0 BCADHN COCCN(C)CCCNC(=O)[C@@H]1C[C@@H]1C ZINC000041951049 491055473 /nfs/dbraw/zinc/05/54/73/491055473.db2.gz HJBDSNHTRKKAIN-WDEREUQCSA-N 0 3 228.336 0.727 20 0 BCADHN C[C@@H]1CCN(CCn2ccccc2=O)[C@@H]1CO ZINC000227188916 491055791 /nfs/dbraw/zinc/05/57/91/491055791.db2.gz TTZQBJWBSPTTPI-VXGBXAGGSA-N 0 3 236.315 0.551 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000390277149 491061497 /nfs/dbraw/zinc/06/14/97/491061497.db2.gz UBTHXKSXMLVEMH-RITPCOANSA-N 0 3 226.198 0.123 20 0 BCADHN CCc1nn(C)cc1CNC[C@@H](COC)OC ZINC000227705676 491064841 /nfs/dbraw/zinc/06/48/41/491064841.db2.gz MHVOYOITYNOHDN-NSHDSACASA-N 0 3 241.335 0.734 20 0 BCADHN COC(C)(C)CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644815347 491072401 /nfs/dbraw/zinc/07/24/01/491072401.db2.gz PAKXCIHGFQATIN-MNOVXSKESA-N 0 3 240.347 0.964 20 0 BCADHN COCCN(C)CCCNC(=O)[C@H]1C[C@H]1C ZINC000041951037 491055435 /nfs/dbraw/zinc/05/54/35/491055435.db2.gz HJBDSNHTRKKAIN-MNOVXSKESA-N 0 3 228.336 0.727 20 0 BCADHN CN(CC(=O)NCc1cncnc1N)C1CCC1 ZINC000629973751 491084782 /nfs/dbraw/zinc/08/47/82/491084782.db2.gz RWRRLAVCEAEWRS-UHFFFAOYSA-N 0 3 249.318 0.159 20 0 BCADHN CCN(C(=O)[C@@H]1CCCCN1)c1cnn(C)c1 ZINC000655522183 491086539 /nfs/dbraw/zinc/08/65/39/491086539.db2.gz PYRPQNUNYMRLSD-NSHDSACASA-N 0 3 236.319 0.915 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C[C@H](O)C1CC1 ZINC000087557045 491090160 /nfs/dbraw/zinc/09/01/60/491090160.db2.gz MHKKHRGCAFGROH-NSHDSACASA-N 0 3 228.336 0.556 20 0 BCADHN O=C(CN[C@@H]1C[C@@H](O)C12CCC2)NC1CC1 ZINC000661836694 491092945 /nfs/dbraw/zinc/09/29/45/491092945.db2.gz GVGGPNBCPMYCGG-NXEZZACHSA-N 0 3 224.304 0.158 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)NC[C@@](C)(O)CN(C)C ZINC000228751734 491102695 /nfs/dbraw/zinc/10/26/95/491102695.db2.gz TXQFITLATVITGH-WCABBAIRSA-N 0 3 214.309 0.071 20 0 BCADHN C[C@@H](CNC(=O)[C@@H](O)C1CC1)N(C)C1CC1 ZINC000668096015 491116869 /nfs/dbraw/zinc/11/68/69/491116869.db2.gz WBNYRPKCJYWNRQ-KWQFWETISA-N 0 3 226.320 0.356 20 0 BCADHN CN(C)CCN(C)Cc1cnc2n1CCC2 ZINC000668156694 491117539 /nfs/dbraw/zinc/11/75/39/491117539.db2.gz YQVJDDLRHASEQL-UHFFFAOYSA-N 0 3 222.336 0.823 20 0 BCADHN COc1ccc(CNCCC(N)=O)cc1F ZINC000035247154 491120715 /nfs/dbraw/zinc/12/07/15/491120715.db2.gz NMUHXTAKHRTQJY-UHFFFAOYSA-N 0 3 226.251 0.799 20 0 BCADHN CCn1nccc1CNC(=O)[C@@H]1NCC1(C)C ZINC000663001185 491121594 /nfs/dbraw/zinc/12/15/94/491121594.db2.gz QMBMUPCQYVGZDP-JTQLQIEISA-N 0 3 236.319 0.517 20 0 BCADHN CS[C@H](C)CNC(=O)[C@@H](N)C1CCC1 ZINC000399235308 491123415 /nfs/dbraw/zinc/12/34/15/491123415.db2.gz QTJYYBFCAUHVPX-APPZFPTMSA-N 0 3 216.350 0.982 20 0 BCADHN CNS(=O)(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000352173249 491123789 /nfs/dbraw/zinc/12/37/89/491123789.db2.gz ZYMBMYPYVCTINU-SECBINFHSA-N 0 3 249.380 0.113 20 0 BCADHN C[C@@H](O)CNCc1ccnn1-c1ccccn1 ZINC000647166186 491124038 /nfs/dbraw/zinc/12/40/38/491124038.db2.gz BJKPBIGCCBYTDM-SNVBAGLBSA-N 0 3 232.287 0.738 20 0 BCADHN CCOc1ccc(CNC[C@@](C)(O)CO)cc1 ZINC000090286268 491124344 /nfs/dbraw/zinc/12/43/44/491124344.db2.gz DFXWONZEZZOLMB-CYBMUJFWSA-N 0 3 239.315 0.918 20 0 BCADHN C[C@@H]1C[C@H](NCC(=O)NCc2ccco2)CO1 ZINC000647170057 491125307 /nfs/dbraw/zinc/12/53/07/491125307.db2.gz LXGOVDMRMOVWMD-ZJUUUORDSA-N 0 3 238.287 0.663 20 0 BCADHN Cc1cc(CN(C)CC2CN(C)C2)nn1C ZINC000668539483 491127479 /nfs/dbraw/zinc/12/74/79/491127479.db2.gz XQDVBNMAUDTDNR-UHFFFAOYSA-N 0 3 222.336 0.722 20 0 BCADHN CN1CCC[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000230190995 491128184 /nfs/dbraw/zinc/12/81/84/491128184.db2.gz LASZWLVZZGIBFC-SNVBAGLBSA-N 0 3 235.287 0.199 20 0 BCADHN CC[C@H](C(=O)N1CCCOC[C@@H]1C)N(C)C ZINC000665772821 491128525 /nfs/dbraw/zinc/12/85/25/491128525.db2.gz UPGDYDJYVRVQHT-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN C[NH+]1CCC(NC(=O)c2cncc([O-])c2)CC1 ZINC000111738951 491128763 /nfs/dbraw/zinc/12/87/63/491128763.db2.gz KQJNKHYYWHMHDG-UHFFFAOYSA-N 0 3 235.287 0.611 20 0 BCADHN Cn1ccc(CCNCc2cncnc2)n1 ZINC000230880588 491130957 /nfs/dbraw/zinc/13/09/57/491130957.db2.gz LYKWLUOIHXOOEF-UHFFFAOYSA-N 0 3 217.276 0.542 20 0 BCADHN CCN1CCCN(C(=O)CCCCO)CC1 ZINC000307782835 491134432 /nfs/dbraw/zinc/13/44/32/491134432.db2.gz WWHDZMJKCRRCRC-UHFFFAOYSA-N 0 3 228.336 0.703 20 0 BCADHN CO[C@]1(CNC2CSC2)CCOC1 ZINC000308431010 491136096 /nfs/dbraw/zinc/13/60/96/491136096.db2.gz TVPUWQDAFSRTPL-VIFPVBQESA-N 0 3 203.307 0.497 20 0 BCADHN CS(=O)(=O)C1(CNC2CSC2)CCC1 ZINC000308716430 491137837 /nfs/dbraw/zinc/13/78/37/491137837.db2.gz BIQHTJIAPGKCGD-UHFFFAOYSA-N 0 3 235.374 0.659 20 0 BCADHN C[C@H]1C[C@@H]1CNCc1nnc2n1CCOC2 ZINC000309774165 491156162 /nfs/dbraw/zinc/15/61/62/491156162.db2.gz LGXBPOIOKMNBIT-DTWKUNHWSA-N 0 3 222.292 0.554 20 0 BCADHN COC1(CNCc2cn[nH]c2)CCOCC1 ZINC000309960978 491158402 /nfs/dbraw/zinc/15/84/02/491158402.db2.gz LCSGDCWJHLQLNZ-UHFFFAOYSA-N 0 3 225.292 0.695 20 0 BCADHN CCC(=O)N1CC[C@H](NCc2cn[nH]c2)C1 ZINC000309961166 491158438 /nfs/dbraw/zinc/15/84/38/491158438.db2.gz LFQKLTKPDOAYRF-JTQLQIEISA-N 0 3 222.292 0.510 20 0 BCADHN CCN1CCO[C@@H](CN[C@@H](C)c2cn[nH]c2)C1 ZINC000310195936 491160718 /nfs/dbraw/zinc/16/07/18/491160718.db2.gz YWZNLEYIUHVTCV-JQWIXIFHSA-N 0 3 238.335 0.781 20 0 BCADHN CN(C)C1(C(=O)N2CC[C@@H](O)[C@@H](F)C2)CCC1 ZINC000890686747 582504941 /nfs/dbraw/zinc/50/49/41/582504941.db2.gz IFDRQVUYXLHALA-VHSXEESVSA-N 0 3 244.310 0.402 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@H](O)[C@@H](F)C1)N(C)C ZINC000890693334 582507088 /nfs/dbraw/zinc/50/70/88/582507088.db2.gz BPFIXBQWUWSEGC-GARJFASQSA-N 0 3 246.326 0.504 20 0 BCADHN CC(C)[C@H](C(=O)NCC[C@H](O)C1CC1)N(C)C ZINC000890725589 582517791 /nfs/dbraw/zinc/51/77/91/582517791.db2.gz UVBUPYNOOGVUKA-NWDGAFQWSA-N 0 3 242.363 0.850 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N(C)C1CC(O)C1 ZINC000334421055 535492519 /nfs/dbraw/zinc/49/25/19/535492519.db2.gz QXFMHRPWBZDIBE-MCIGGMRASA-N 0 3 240.347 0.843 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/nfs/dbraw/zinc/90/03/98/534900398.db2.gz IYHRKWXNBMVUFW-ZJUUUORDSA-N 0 3 242.319 0.539 20 0 BCADHN CC(C)O[C@@H]1CCN([C@H]2CCCNC2=O)C1 ZINC000335369209 534901190 /nfs/dbraw/zinc/90/11/90/534901190.db2.gz TXFSOESLVVKJHN-MNOVXSKESA-N 0 3 226.320 0.764 20 0 BCADHN C/C=C\C[C@H](CO)N[C@@H](C)CS(C)(=O)=O ZINC000309058338 526331372 /nfs/dbraw/zinc/33/13/72/526331372.db2.gz VLAAEJDMFVDOPC-YVDHIRPGSA-N 0 3 235.349 0.336 20 0 BCADHN CNCC(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000261528529 536441149 /nfs/dbraw/zinc/44/11/49/536441149.db2.gz QFQFFFPIDGJTMV-RKDXNWHRSA-N 0 3 200.282 0.137 20 0 BCADHN CNCC(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000261539541 536441320 /nfs/dbraw/zinc/44/13/20/536441320.db2.gz CSEOCWDELLNWLL-GXSJLCMTSA-N 0 3 214.309 0.263 20 0 BCADHN CC(=O)CSCC(=O)NCC(C)(C)N(C)C ZINC000493533123 526441142 /nfs/dbraw/zinc/44/11/42/526441142.db2.gz WDSWQLOHTYQTKU-UHFFFAOYSA-N 0 3 246.376 0.765 20 0 BCADHN CC(C)(C)OC(=O)NCCCN1CC[C@@H](O)C1 ZINC000306680104 526456515 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CCCNC(=O)[C@@H](C)N1CC[C@](O)(CC)C1 ZINC000495206227 528422345 /nfs/dbraw/zinc/42/23/45/528422345.db2.gz VUWDHVPDDWWSJQ-ZYHUDNBSSA-N 0 3 228.336 0.748 20 0 BCADHN CCCNC(=O)[C@@H](C)N[C@H](C)[C@H](C)OC ZINC000309041058 528423545 /nfs/dbraw/zinc/42/35/45/528423545.db2.gz LGVSAHINKWALPH-BBBLOLIVSA-N 0 3 216.325 0.914 20 0 BCADHN CCO/C=C/C(=O)N(C)CCN(C)C ZINC000493220774 528452427 /nfs/dbraw/zinc/45/24/27/528452427.db2.gz OFABXRAHNNGMIG-RMKNXTFCSA-N 0 3 200.282 0.557 20 0 BCADHN CCC[C@](C)(CO)NC(=O)/C=C/CN(C)C ZINC000492640792 528452598 /nfs/dbraw/zinc/45/25/98/528452598.db2.gz NCYXGBSPQAJUMQ-NNNHXZLVSA-N 0 3 228.336 0.772 20 0 BCADHN CCN(CCCO)C[C@H]1CN(C)C(=O)O1 ZINC000496966846 528469516 /nfs/dbraw/zinc/46/95/16/528469516.db2.gz FHOVSBYVRKBRJF-SECBINFHSA-N 0 3 216.281 0.141 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1ccnc2ccnn21 ZINC000494465408 528499445 /nfs/dbraw/zinc/49/94/45/528499445.db2.gz BGANOKHOIBILFB-SNVBAGLBSA-N 0 3 233.275 0.651 20 0 BCADHN CCO/C=C\C(=O)N[C@@H]1CCN(CCOC)C1 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ZINC000335384441 536140237 /nfs/dbraw/zinc/14/02/37/536140237.db2.gz FXYZUOFPIPKINJ-WPRPVWTQSA-N 0 3 222.292 0.811 20 0 BCADHN CCc1cc(N2CCN[C@@H](C)C2)ncn1 ZINC000052783547 536146737 /nfs/dbraw/zinc/14/67/37/536146737.db2.gz VYZBECNSDMANFA-VIFPVBQESA-N 0 3 206.293 0.837 20 0 BCADHN CN(C)c1ncc(CNC[C@@](C)(O)CO)s1 ZINC000393802513 582925872 /nfs/dbraw/zinc/92/58/72/582925872.db2.gz MYMBBXYEAMXCCP-SNVBAGLBSA-N 0 3 245.348 0.042 20 0 BCADHN COC(=O)C[C@@H]1CCCN1CCOCCO ZINC000179125037 536316936 /nfs/dbraw/zinc/31/69/36/536316936.db2.gz IIURPDZGIVUFSN-JTQLQIEISA-N 0 3 231.292 0.023 20 0 BCADHN CNC(=O)NC(=O)CN(C)CC1CCCCC1 ZINC000029455129 536321235 /nfs/dbraw/zinc/32/12/35/536321235.db2.gz MFCDFYZRGFIVSP-UHFFFAOYSA-N 0 3 241.335 0.954 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C)CC1 ZINC000068837909 536325851 /nfs/dbraw/zinc/32/58/51/536325851.db2.gz HGPTXQRMLVRPNA-UWVGGRQHSA-N 0 3 241.335 0.953 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172950057 536326832 /nfs/dbraw/zinc/32/68/32/536326832.db2.gz CYCPZSBKDUEDFI-XHNCKOQMSA-N 0 3 239.319 0.418 20 0 BCADHN CN1CCC(CC(=O)N2CCC(=O)CC2)CC1 ZINC000336085487 536335460 /nfs/dbraw/zinc/33/54/60/536335460.db2.gz FZJLQLRYVWYKHQ-UHFFFAOYSA-N 0 3 238.331 0.910 20 0 BCADHN CN1CCCN(C(=O)C2=CCOCC2)CC1 ZINC000348942120 536359438 /nfs/dbraw/zinc/35/94/38/536359438.db2.gz RQTIBBKQPVRHNG-UHFFFAOYSA-N 0 3 224.304 0.497 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)[C@@](C)(O)C1CC1 ZINC000342593317 536366674 /nfs/dbraw/zinc/36/66/74/536366674.db2.gz WICRSFYPMWXIRD-ZDUSSCGKSA-N 0 3 240.347 0.700 20 0 BCADHN CN(CCN1CCCC1)Cc1cnnn1C ZINC000349062069 536371598 /nfs/dbraw/zinc/37/15/98/536371598.db2.gz LIONSEUSUSYIHK-UHFFFAOYSA-N 0 3 223.324 0.343 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)N1CCCO1 ZINC000334384078 536372267 /nfs/dbraw/zinc/37/22/67/536372267.db2.gz LMSDNDYHIVAAQI-SECBINFHSA-N 0 3 213.281 0.428 20 0 BCADHN CNC(=O)c1ccc(CN2C[C@H](C)[C@H](O)C2)cc1 ZINC000351780333 536423766 /nfs/dbraw/zinc/42/37/66/536423766.db2.gz MBWJZOLJHCROBM-GXFFZTMASA-N 0 3 248.326 0.859 20 0 BCADHN CN(C[C@@H]1CCOC1)C(=O)C1(N)CCCC1 ZINC000178168638 536435207 /nfs/dbraw/zinc/43/52/07/536435207.db2.gz CCKDCIMKVXDKEZ-JTQLQIEISA-N 0 3 226.320 0.753 20 0 BCADHN CN(C[C@H]1CCCCO1)C(=O)C1(N)CCC1 ZINC000088050821 536444334 /nfs/dbraw/zinc/44/43/34/536444334.db2.gz OAYBBFTUMJDDOH-SNVBAGLBSA-N 0 3 226.320 0.895 20 0 BCADHN COC[C@H]1CCCCN([C@@H](C)C(N)=O)C1 ZINC000342573579 536495907 /nfs/dbraw/zinc/49/59/07/536495907.db2.gz VLAMCJUPAGOEBD-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN COC[C@H]1CCCCN([C@@H]2CCNC2=O)C1 ZINC000342754789 536495940 /nfs/dbraw/zinc/49/59/40/536495940.db2.gz QPUJPUOIIZBDDZ-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN COC[C@@H](C)NC(=O)N1CCN(C)CC[C@@H]1C ZINC000336134713 536531288 /nfs/dbraw/zinc/53/12/88/536531288.db2.gz DNXRWPSRKXEBKI-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC[C@H](C)[C@H]1C ZINC000261530304 536557255 /nfs/dbraw/zinc/55/72/55/536557255.db2.gz CIVDGHKBAQJKBO-IVZWLZJFSA-N 0 3 214.309 0.607 20 0 BCADHN CO[C@H](CN)C(=O)N(CC(C)C)C(C)C ZINC000227365342 536554319 /nfs/dbraw/zinc/55/43/19/536554319.db2.gz HMWIJYSQGVVFAK-SNVBAGLBSA-N 0 3 216.325 0.853 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000261532557 536556202 /nfs/dbraw/zinc/55/62/02/536556202.db2.gz JVSXTIUFURFSLB-HRDYMLBCSA-N 0 3 200.282 0.217 20 0 BCADHN CO[C@H](CN)C(=O)N1CCc2cccc(C)c21 ZINC000335605040 536558367 /nfs/dbraw/zinc/55/83/67/536558367.db2.gz FNFDGCMZIZDSGN-LLVKDONJSA-N 0 3 234.299 0.858 20 0 BCADHN CO[C@H](CN)C(=O)N1CCc2ccsc2C1 ZINC000335495528 536558439 /nfs/dbraw/zinc/55/84/39/536558439.db2.gz LEIILUKWWBFGEQ-SECBINFHSA-N 0 3 240.328 0.607 20 0 BCADHN CO[C@H](CN)C(=O)NCCCCSC ZINC000227405689 536559060 /nfs/dbraw/zinc/55/90/60/536559060.db2.gz CBXJUHLWPKXILR-MRVPVSSYSA-N 0 3 220.338 0.220 20 0 BCADHN CO[C@H](CNC(=O)NCCN(C)C)C(C)C ZINC000342660753 536610727 /nfs/dbraw/zinc/61/07/27/536610727.db2.gz KNVAMPSVWVEJIO-SNVBAGLBSA-N 0 3 231.340 0.518 20 0 BCADHN COC(=O)[C@H](CNC(=O)[C@@H](C)N)CC(C)C ZINC000178156993 536674456 /nfs/dbraw/zinc/67/44/56/536674456.db2.gz VWOWPFNPYJSZGS-BDAKNGLRSA-N 0 3 230.308 0.285 20 0 BCADHN COC[C@]1(C)CCN([C@H]2CCCNC2=O)C1 ZINC000336206649 536676038 /nfs/dbraw/zinc/67/60/38/536676038.db2.gz UHQUFUXQTIBJFP-CMPLNLGQSA-N 0 3 226.320 0.623 20 0 BCADHN COC[C@@H]1CCCCN([C@@H](C)C(N)=O)C1 ZINC000342573582 536743779 /nfs/dbraw/zinc/74/37/79/536743779.db2.gz VLAMCJUPAGOEBD-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN COCCN(C)CCCNC(=O)N[C@H](C)CF ZINC000351580453 536789016 /nfs/dbraw/zinc/78/90/16/536789016.db2.gz ISTCZADMFURTHS-SNVBAGLBSA-N 0 3 249.330 0.612 20 0 BCADHN COCCN(CC(C)C)C(=O)[C@@H](CN)OC ZINC000227365091 536826396 /nfs/dbraw/zinc/82/63/96/536826396.db2.gz NJRWBEMEPIDKLN-SNVBAGLBSA-N 0 3 232.324 0.091 20 0 BCADHN CO[C@@H](C)c1nc(CNC(=O)[C@@H](C)N)cs1 ZINC000261850853 536890617 /nfs/dbraw/zinc/89/06/17/536890617.db2.gz OSYXEGYIDKPSLD-RQJHMYQMSA-N 0 3 243.332 0.814 20 0 BCADHN COCCNCC(=O)N(C)C(C1CC1)C1CC1 ZINC000154081528 536893636 /nfs/dbraw/zinc/89/36/36/536893636.db2.gz ZQUFCSDXKIDXPL-UHFFFAOYSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@H](CCO)Nc1nc(C)cc(N)n1 ZINC000892651140 582940211 /nfs/dbraw/zinc/94/02/11/582940211.db2.gz USXAUXYCLUACPC-MRVPVSSYSA-N 0 3 210.281 0.940 20 0 BCADHN Cc1cc(N)nc(N[C@@H](CCO)C2CC2)n1 ZINC000892657523 582941703 /nfs/dbraw/zinc/94/17/03/582941703.db2.gz NSDUJOCSPVUIMU-VIFPVBQESA-N 0 3 222.292 0.940 20 0 BCADHN C[C@@H](C(=O)NC[C@H]1CNCCO1)C1CCCC1 ZINC000643603591 566268311 /nfs/dbraw/zinc/26/83/11/566268311.db2.gz WCTQPZOPSRLNII-ZYHUDNBSSA-N 0 3 240.347 0.917 20 0 BCADHN CC[C@@H]1CN(C)CCCN1C(=O)[C@@H](C)OC ZINC000300551161 566319503 /nfs/dbraw/zinc/31/95/03/566319503.db2.gz RWEJPEDTNZIBPS-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1C[C@@H]1C(F)F ZINC000338093244 566370764 /nfs/dbraw/zinc/37/07/64/566370764.db2.gz KZCICRVCPUWMPN-NKWVEPMBSA-N 0 3 206.236 0.565 20 0 BCADHN CO[C@@H]1CC[C@H](N[C@H](CO)c2cnn(C)c2)C1 ZINC000851933649 582981292 /nfs/dbraw/zinc/98/12/92/582981292.db2.gz SPUPEOUUFRPAPR-QJPTWQEYSA-N 0 3 239.319 0.611 20 0 BCADHN COC(CCN(CCO)[C@H]1CCO[C@H]1C)OC ZINC000852004449 582992539 /nfs/dbraw/zinc/99/25/39/582992539.db2.gz RAWLQYXSJPCEBS-QWRGUYRKSA-N 0 3 247.335 0.467 20 0 BCADHN CC[S@@](=O)CCN[C@@H](C)COC(C)=O ZINC000892951626 583017564 /nfs/dbraw/zinc/01/75/64/583017564.db2.gz PPNJEEPCFMRYGP-RMLUDKJBSA-N 0 3 221.322 0.296 20 0 BCADHN CC(=O)OC[C@@H](C)NC[C@H]1CCCS1(=O)=O ZINC000893174864 583064292 /nfs/dbraw/zinc/06/42/92/583064292.db2.gz JERPLDBZFHKEND-PSASIEDQSA-N 0 3 249.332 0.105 20 0 BCADHN CN(C)C1(C(=O)N[C@@H]2CC23CC(O)C3)CCC1 ZINC000888955288 583162410 /nfs/dbraw/zinc/16/24/10/583162410.db2.gz NOAHIKQOTRPKGW-SQLBVSGCSA-N 0 3 238.331 0.500 20 0 BCADHN COC[C@H](O)CN1CCCOC[C@H]1C ZINC000399267495 583172386 /nfs/dbraw/zinc/17/23/86/583172386.db2.gz BLEQXKSYJFMJAF-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)N(C)C)[C@H]1OC ZINC000894000119 583271287 /nfs/dbraw/zinc/27/12/87/583271287.db2.gz IOVQWMPTAZRVRX-LNFKQOIKSA-N 0 3 244.335 0.245 20 0 BCADHN C[C@H](CCCCO)Nc1ccncc1CO ZINC000894036991 583288918 /nfs/dbraw/zinc/28/89/18/583288918.db2.gz CXAZEYZISNMMPP-SNVBAGLBSA-N 0 3 224.304 0.959 20 0 BCADHN CO[C@@]1(C)C[C@H]1NC(=S)NCCN(C)C ZINC000853043636 588717501 /nfs/dbraw/zinc/71/75/01/588717501.db2.gz WFWBXMBBGLHUCH-SCZZXKLOSA-N 0 3 231.365 0.190 20 0 BCADHN Cn1cc(CNC[C@@H](O)c2ccccn2)cn1 ZINC000853062479 588718454 /nfs/dbraw/zinc/71/84/54/588718454.db2.gz RARZIOVPJDDXIT-GFCCVEGCSA-N 0 3 232.287 0.638 20 0 BCADHN Cc1nccn1CCNC[C@@H](O)c1ccccn1 ZINC000853097704 588719635 /nfs/dbraw/zinc/71/96/35/588719635.db2.gz HDMRHKSWVBVEOQ-CYBMUJFWSA-N 0 3 246.314 0.910 20 0 BCADHN CN(CCNC[C@@H](O)c1ccccn1)C1CC1 ZINC000853099011 588719844 /nfs/dbraw/zinc/71/98/44/588719844.db2.gz NTBYPASSWLRCIF-CYBMUJFWSA-N 0 3 235.331 0.799 20 0 BCADHN CN1C[C@@H](NC[C@@H](O)c2ccccn2)CCC1=O ZINC000853100292 588720081 /nfs/dbraw/zinc/72/00/81/588720081.db2.gz BLYSYURPHXEXJA-CMPLNLGQSA-N 0 3 249.314 0.325 20 0 BCADHN COC[C@@H](CNC[C@@H](O)c1ccccn1)OC ZINC000853106049 588720817 /nfs/dbraw/zinc/72/08/17/588720817.db2.gz ZWRZXLYCVAOYRF-ZYHUDNBSSA-N 0 3 240.303 0.366 20 0 BCADHN O[C@@H](CNC1COCCOC1)c1ccccn1 ZINC000853106418 588720901 /nfs/dbraw/zinc/72/09/01/588720901.db2.gz ZCTHKHUIEIKUKA-LBPRGKRZSA-N 0 3 238.287 0.120 20 0 BCADHN CC1(C)[C@H](CNCCS(C)(=O)=O)C1(F)F ZINC000853114369 588721447 /nfs/dbraw/zinc/72/14/47/588721447.db2.gz UNOVVWWOABFHOY-ZETCQYMHSA-N 0 3 241.303 0.912 20 0 BCADHN O[C@@H](CN[C@@H]1C[C@@H](O)C1)c1ccc(F)cn1 ZINC000853131570 588722152 /nfs/dbraw/zinc/72/21/52/588722152.db2.gz QMWIPTVDUPFNAI-QXEWZRGKSA-N 0 3 226.251 0.367 20 0 BCADHN C[C@H]1C(=O)N(CN(C)CC2CN(C)C2)C[C@H]1C ZINC000853553453 588748538 /nfs/dbraw/zinc/74/85/38/588748538.db2.gz FLFIAHHNLZICGS-GHMZBOCLSA-N 0 3 239.363 0.552 20 0 BCADHN CN(CC1CN(C)C1)CN1CC(C)(C)CC1=O ZINC000853553359 588748610 /nfs/dbraw/zinc/74/86/10/588748610.db2.gz NOAZXAGZOFGFJB-UHFFFAOYSA-N 0 3 239.363 0.696 20 0 BCADHN CN(CC1CN(C)C1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000853554298 588748689 /nfs/dbraw/zinc/74/86/89/588748689.db2.gz LIWDFVPZMKPRSA-NEPJUHHUSA-N 0 3 237.347 0.448 20 0 BCADHN CC1=NO[C@H](C(=O)N(C)C2CCN(C)CC2)C1 ZINC000854123074 588775401 /nfs/dbraw/zinc/77/54/01/588775401.db2.gz FVKSOSQUZJKJSN-NSHDSACASA-N 0 3 239.319 0.704 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@H]1CC(C)=NO1 ZINC000854297533 588783165 /nfs/dbraw/zinc/78/31/65/588783165.db2.gz RXZQZDTUKDQPCO-WDEREUQCSA-N 0 3 239.319 0.752 20 0 BCADHN CCC[C@@H](O)CC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000854357474 588784965 /nfs/dbraw/zinc/78/49/65/588784965.db2.gz GXJPKOJXEHZBTK-SNVBAGLBSA-N 0 3 244.335 0.680 20 0 BCADHN COC(OC)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC000854462832 588788191 /nfs/dbraw/zinc/78/81/91/588788191.db2.gz PZUUVWCKUGFPFJ-VIFPVBQESA-N 0 3 244.335 0.594 20 0 BCADHN CC/C(C)=C(\C)C(=O)N[C@@H](CO)CN(C)C ZINC000854465920 588788600 /nfs/dbraw/zinc/78/86/00/588788600.db2.gz UVZSOGXLOZVDDQ-PBQZMEPESA-N 0 3 228.336 0.772 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C(F)=C1CCCC1 ZINC000854466833 588788680 /nfs/dbraw/zinc/78/86/80/588788680.db2.gz LLBSCWCSQMLUCB-SNVBAGLBSA-N 0 3 244.310 0.823 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C(F)=C1CCC1 ZINC000854467099 588788796 /nfs/dbraw/zinc/78/87/96/588788796.db2.gz BHPMMIACMPPNTM-SECBINFHSA-N 0 3 230.283 0.433 20 0 BCADHN CCC/C(C)=C\C(=O)N[C@@H](CO)CN(C)C ZINC000854466435 588788894 /nfs/dbraw/zinc/78/88/94/588788894.db2.gz CPAQUVUCOPRYDR-ZJRUKIMVSA-N 0 3 228.336 0.772 20 0 BCADHN CCC/C(C)=C/C(=O)N[C@H](CO)CN(C)C ZINC000854466433 588788915 /nfs/dbraw/zinc/78/89/15/588788915.db2.gz CPAQUVUCOPRYDR-HUYFXPKMSA-N 0 3 228.336 0.772 20 0 BCADHN CC1=NO[C@H](C(=O)N2CC[C@H]3CN(C)C[C@H]32)C1 ZINC000854598839 588796582 /nfs/dbraw/zinc/79/65/82/588796582.db2.gz BCNGADUSPSWDCM-AXFHLTTASA-N 0 3 237.303 0.314 20 0 BCADHN C[C@@H]1[C@H](N(C)C)CCN1C(=O)c1cc(C=O)c[nH]1 ZINC000854651322 588799458 /nfs/dbraw/zinc/79/94/58/588799458.db2.gz WQYJPSWJIBLHHG-BXKDBHETSA-N 0 3 249.314 0.992 20 0 BCADHN CN(C)CCONC(=O)c1ncnc2[nH]ccc21 ZINC000854690707 588801757 /nfs/dbraw/zinc/80/17/57/588801757.db2.gz IDSMUEVQOATZCE-UHFFFAOYSA-N 0 3 249.274 0.133 20 0 BCADHN CC1=NO[C@@H](C(=O)NC(C)(C)CN(C)C)C1 ZINC000854902078 588816027 /nfs/dbraw/zinc/81/60/27/588816027.db2.gz QZDCDVUGMSBTQP-SECBINFHSA-N 0 3 227.308 0.608 20 0 BCADHN CC1=NO[C@H](C(=O)NC(C)(C)CN(C)C)C1 ZINC000854902079 588816099 /nfs/dbraw/zinc/81/60/99/588816099.db2.gz QZDCDVUGMSBTQP-VIFPVBQESA-N 0 3 227.308 0.608 20 0 BCADHN CN(C)CCONC(=O)c1cccc(CO)c1 ZINC000854945643 588817481 /nfs/dbraw/zinc/81/74/81/588817481.db2.gz VWFNPZNQAGOKJK-UHFFFAOYSA-N 0 3 238.287 0.402 20 0 BCADHN CC[C@@H]1C[C@H](C(=O)NOCCN(C)C)CCO1 ZINC000854945882 588817767 /nfs/dbraw/zinc/81/77/67/588817767.db2.gz UEVKMVFURFOBSH-GHMZBOCLSA-N 0 3 244.335 0.801 20 0 BCADHN CN(C)CCONC(=O)c1nccs1 ZINC000854945559 588817924 /nfs/dbraw/zinc/81/79/24/588817924.db2.gz STDDPCBWLUVYKJ-UHFFFAOYSA-N 0 3 215.278 0.366 20 0 BCADHN CN(C)CCONC(=O)c1ncc(F)cc1F ZINC000854945458 588817999 /nfs/dbraw/zinc/81/79/99/588817999.db2.gz RPCODZDLKPWSLY-UHFFFAOYSA-N 0 3 245.229 0.583 20 0 BCADHN CN(C)CCONC(=O)c1ccc2nc[nH]c2n1 ZINC000854945889 588818062 /nfs/dbraw/zinc/81/80/62/588818062.db2.gz UIXDHSCEMSSSSQ-UHFFFAOYSA-N 0 3 249.274 0.181 20 0 BCADHN Cc1cc(C(=O)NOCCN(C)C)nc(C)n1 ZINC000854945491 588818070 /nfs/dbraw/zinc/81/80/70/588818070.db2.gz KBRIREHHGCYLRH-UHFFFAOYSA-N 0 3 238.291 0.316 20 0 BCADHN Cc1noc(C)c1C(=O)NOCCN(C)C ZINC000854946922 588818203 /nfs/dbraw/zinc/81/82/03/588818203.db2.gz AOZIENPSJGYQRB-UHFFFAOYSA-N 0 3 227.264 0.514 20 0 BCADHN C[C@@H](CNC(=O)/C=C/[C@@H]1CCOC1)N(C)C ZINC000855009456 588820155 /nfs/dbraw/zinc/82/01/55/588820155.db2.gz VCXWIUBWWYYGNK-BXXZLRJFSA-N 0 3 226.320 0.645 20 0 BCADHN CC[C@H](CO)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000855286568 588827227 /nfs/dbraw/zinc/82/72/27/588827227.db2.gz TWLVGTBHAFOXQN-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN CCN(C(=O)Cc1ncc[nH]1)[C@H]1CCN(C)C1 ZINC000855362042 588828844 /nfs/dbraw/zinc/82/88/44/588828844.db2.gz MGHSCRHTXWUZHI-JTQLQIEISA-N 0 3 236.319 0.505 20 0 BCADHN CC[C@H](CO)C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000855359914 588829279 /nfs/dbraw/zinc/82/92/79/588829279.db2.gz FMQYJYDJFSUUMA-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@H](O)[C@H](F)C1)N(C)C ZINC000890693338 582507219 /nfs/dbraw/zinc/50/72/19/582507219.db2.gz BPFIXBQWUWSEGC-OUAUKWLOSA-N 0 3 246.326 0.504 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC000890702837 582509700 /nfs/dbraw/zinc/50/97/00/582509700.db2.gz SANDXBPNODQMSP-NXEZZACHSA-N 0 3 232.299 0.258 20 0 BCADHN O=C1NCCC[C@H]1N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844458968 582592431 /nfs/dbraw/zinc/59/24/31/582592431.db2.gz QMBCWISSACHYGW-GJMOJQLCSA-N 0 3 216.231 0.462 20 0 BCADHN CC[C@H](CO)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000855491786 588838199 /nfs/dbraw/zinc/83/81/99/588838199.db2.gz UFOLPVHKJSYRMB-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891069872 582606895 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ZINC000856717424 588875093 /nfs/dbraw/zinc/87/50/93/588875093.db2.gz GTECQONYBPHIOS-UHFFFAOYSA-N 0 3 234.365 0.802 20 0 BCADHN Cn1nccc1CCNc1ccncc1CO ZINC000893188340 583067616 /nfs/dbraw/zinc/06/76/16/583067616.db2.gz YNLAMJDADZVISK-UHFFFAOYSA-N 0 3 232.287 0.384 20 0 BCADHN Cc1cc(F)ncc1CNC[C@]1(O)CCOC1 ZINC000893215373 583072856 /nfs/dbraw/zinc/07/28/56/583072856.db2.gz GHRXWHCTWDIXJX-GFCCVEGCSA-N 0 3 240.278 0.770 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]2CO)CCN1C ZINC000893222832 583074303 /nfs/dbraw/zinc/07/43/03/583074303.db2.gz VYPQAJVPCOWDCR-GMTAPVOTSA-N 0 3 241.335 0.245 20 0 BCADHN CO[C@H]1CN(C)[C@](C)(COC(=O)CCF)C1 ZINC000893263199 583080206 /nfs/dbraw/zinc/08/02/06/583080206.db2.gz PWVAEKBZUULXFU-KOLCDFICSA-N 0 3 233.283 0.998 20 0 BCADHN OCCN[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893323527 583100632 /nfs/dbraw/zinc/10/06/32/583100632.db2.gz FOXBNHWWDJZUDK-IUCAKERBSA-N 0 3 219.256 0.202 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H]2CCC(=O)C2)CCN1 ZINC000856489688 583120263 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Cc1cc(N2CC[C@@H](O)[C@@H](F)C2)nc(N)n1 ZINC000897375400 583945236 /nfs/dbraw/zinc/94/52/36/583945236.db2.gz SEXBZTOGCMGCII-JGVFFNPUSA-N 0 3 226.255 0.276 20 0 BCADHN Nc1nc(N)nc(NC[C@H]2CC2(Cl)Cl)n1 ZINC000858320849 588944746 /nfs/dbraw/zinc/94/47/46/588944746.db2.gz KTWDZHLDYHZEIQ-GSVOUGTGSA-N 0 3 249.105 0.642 20 0 BCADHN CC[C@H]1C[C@H](N[C@@H](C)C(=O)N(C)OC)CCO1 ZINC000858319534 588944888 /nfs/dbraw/zinc/94/48/88/588944888.db2.gz MXLLBHKXASXTLI-AXFHLTTASA-N 0 3 244.335 0.942 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000858319433 588945059 /nfs/dbraw/zinc/94/50/59/588945059.db2.gz KBVVIZPRDNYUPY-UTINFBMNSA-N 0 3 230.308 0.550 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H](C)C(=O)N(C)OC)CCO1 ZINC000858319537 588945167 /nfs/dbraw/zinc/94/51/67/588945167.db2.gz MXLLBHKXASXTLI-GARJFASQSA-N 0 3 244.335 0.942 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N(C)CCN(C)C2CC2)C1 ZINC000897418928 583962103 /nfs/dbraw/zinc/96/21/03/583962103.db2.gz RBHIIFOFNXBDTF-JQWIXIFHSA-N 0 3 240.347 0.964 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1CCCSC1 ZINC000858323209 588945720 /nfs/dbraw/zinc/94/57/20/588945720.db2.gz RNIIZEGKLDEJQG-RKDXNWHRSA-N 0 3 232.349 0.880 20 0 BCADHN O[C@H](CNCc1ccoc1)[C@@H]1CCCO1 ZINC000858228435 588939312 /nfs/dbraw/zinc/93/93/12/588939312.db2.gz ZZDSBVZXMSCISD-MNOVXSKESA-N 0 3 211.261 0.909 20 0 BCADHN CCON(CC)C(=O)CN[C@@H]1CCO[C@H](C)C1 ZINC000858219802 588939651 /nfs/dbraw/zinc/93/96/51/588939651.db2.gz AZIWZHJIVPMVRA-GHMZBOCLSA-N 0 3 244.335 0.944 20 0 BCADHN C[C@H](O)CN(C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000897441924 583984994 /nfs/dbraw/zinc/98/49/94/583984994.db2.gz MMJDRYZXXPTQBF-MNOVXSKESA-N 0 3 243.351 0.350 20 0 BCADHN CCON(C)C(=O)NCCN1CC[C@H](C)C1 ZINC000897455256 583987305 /nfs/dbraw/zinc/98/73/05/583987305.db2.gz QDLMNMLWEJSOAL-JTQLQIEISA-N 0 3 229.324 0.921 20 0 BCADHN C[C@H]1CCN(CCNC(=O)NCCCCO)C1 ZINC000897455834 583987555 /nfs/dbraw/zinc/98/75/55/583987555.db2.gz WFNDAPMRZVIBJQ-NSHDSACASA-N 0 3 243.351 0.400 20 0 BCADHN C[C@H]1CCN(CCNC(=O)N(C)CCF)C1 ZINC000897460513 583988560 /nfs/dbraw/zinc/98/85/60/583988560.db2.gz TYFBSWHFBVHTPH-JTQLQIEISA-N 0 3 231.315 0.939 20 0 BCADHN CC(C)NC(=O)CCNc1ccnc(CO)c1 ZINC000858339646 588946931 /nfs/dbraw/zinc/94/69/31/588946931.db2.gz HSVQFFONWFNYGN-UHFFFAOYSA-N 0 3 237.303 0.901 20 0 BCADHN CC[C@H](CO)NC(=O)NCCN1CCC[C@@H]1C ZINC000897473669 583991203 /nfs/dbraw/zinc/99/12/03/583991203.db2.gz BRTCGSOBSZCRMW-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN CCC(=CC(=O)NCCN1CC[C@H](O)C1)CC ZINC000863831582 583997804 /nfs/dbraw/zinc/99/78/04/583997804.db2.gz LAGJHADJUJGLPN-LBPRGKRZSA-N 0 3 240.347 0.916 20 0 BCADHN OCc1cc(NC[C@H](O)C(F)(F)F)ccn1 ZINC000858367869 588947916 /nfs/dbraw/zinc/94/79/16/588947916.db2.gz YLSKCLHKMKPAOG-QMMMGPOBSA-N 0 3 236.193 0.909 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)NC/C=C/CO ZINC000897514524 583999575 /nfs/dbraw/zinc/99/95/75/583999575.db2.gz SDNNRCOSCDRJLT-KXMPLOMGSA-N 0 3 241.335 0.318 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)N1CC[C@H]1CO ZINC000897524357 584001453 /nfs/dbraw/zinc/00/14/53/584001453.db2.gz WAUIKFAUZFHDAW-QWRGUYRKSA-N 0 3 241.335 0.247 20 0 BCADHN CS(=O)(=O)CCCNc1ccnc(CO)c1 ZINC000858359411 588948333 /nfs/dbraw/zinc/94/83/33/588948333.db2.gz QLZVOSZBNARRDL-UHFFFAOYSA-N 0 3 244.316 0.421 20 0 BCADHN Cn1nncc1CNCC1(C2(O)CCC2)CC1 ZINC000897530285 584006773 /nfs/dbraw/zinc/00/67/73/584006773.db2.gz GLLRVMIPXQRAKP-UHFFFAOYSA-N 0 3 236.319 0.600 20 0 BCADHN O=C1NCCC[C@@H]1Nc1ccnc(CO)c1 ZINC000858374336 588949811 /nfs/dbraw/zinc/94/98/11/588949811.db2.gz YYRBGXPDXJFJHK-JTQLQIEISA-N 0 3 221.260 0.264 20 0 BCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC1 ZINC000729617546 584019342 /nfs/dbraw/zinc/01/93/42/584019342.db2.gz DGBMIVFHVHAGOP-WDEREUQCSA-N 0 3 239.319 0.265 20 0 BCADHN CCNC(=S)N(CCOC)CCN(C)C ZINC000729645073 584021078 /nfs/dbraw/zinc/02/10/78/584021078.db2.gz KICJGJDDDOWMOM-UHFFFAOYSA-N 0 3 233.381 0.391 20 0 BCADHN CN(C)C(=O)CCN(C)[C@H]1CCCCNC1=O ZINC000729850721 584026958 /nfs/dbraw/zinc/02/69/58/584026958.db2.gz QQISXAIGVGHYSD-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CNC(=O)CCN(C)c1ccnc(CO)c1 ZINC000858387992 588950473 /nfs/dbraw/zinc/95/04/73/588950473.db2.gz KUZVEXKORBXBPI-UHFFFAOYSA-N 0 3 223.276 0.146 20 0 BCADHN OCc1cc(NC[C@@H](O)C2CC2)ccn1 ZINC000858389640 588950627 /nfs/dbraw/zinc/95/06/27/588950627.db2.gz JSDSYLBEYVMELA-LLVKDONJSA-N 0 3 208.261 0.757 20 0 BCADHN C[C@H]1CN(Cc2c3c(nn2C)CCC3)C[C@@H]1O ZINC000897676577 584036188 /nfs/dbraw/zinc/03/61/88/584036188.db2.gz SCIUSSHGZUDJEP-ZANVPECISA-N 0 3 235.331 0.721 20 0 BCADHN CNC(=O)[C@H]1CCCN(c2ccnc(CO)c2)C1 ZINC000858403704 588951360 /nfs/dbraw/zinc/95/13/60/588951360.db2.gz IPPINCODEUYRLF-JTQLQIEISA-N 0 3 249.314 0.536 20 0 BCADHN CSCC[C@@H](C)Nc1nc(N)nc(N)n1 ZINC000858416144 588951506 /nfs/dbraw/zinc/95/15/06/588951506.db2.gz JJBMIRLDWZYVJW-RXMQYKEDSA-N 0 3 228.325 0.590 20 0 BCADHN CCN(CCC(=O)NC)Cc1ccc(CO)o1 ZINC000897709910 584042124 /nfs/dbraw/zinc/04/21/24/584042124.db2.gz KTWFHASVNYBCPJ-UHFFFAOYSA-N 0 3 240.303 0.730 20 0 BCADHN Cc1[nH]ncc1CN1CC(N2CCCC2=O)C1 ZINC000897786440 584048335 /nfs/dbraw/zinc/04/83/35/584048335.db2.gz OWUPUPCZEACLKY-UHFFFAOYSA-N 0 3 234.303 0.525 20 0 BCADHN CN1CCN(C)CCN(Cc2cncnc2)CC1 ZINC000897856185 584050314 /nfs/dbraw/zinc/05/03/14/584050314.db2.gz LWESTLWGSKBNHO-UHFFFAOYSA-N 0 3 249.362 0.156 20 0 BCADHN C[S@](=O)CCNc1ccnc(CO)c1 ZINC000858415660 588952443 /nfs/dbraw/zinc/95/24/43/588952443.db2.gz VOUPXLUBQNUREJ-AWEZNQCLSA-N 0 3 214.290 0.364 20 0 BCADHN Cc1n[nH]cc1CN[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897822944 584052030 /nfs/dbraw/zinc/05/20/30/584052030.db2.gz ONSFVRUHPUGEBJ-LVEVGFFFSA-N 0 3 219.288 0.984 20 0 BCADHN Cc1[nH]nc(CN[C@]2(C)CCNC2=O)c1C ZINC000897867087 584055005 /nfs/dbraw/zinc/05/50/05/584055005.db2.gz MVBTWYVBCVQPIE-LLVKDONJSA-N 0 3 222.292 0.395 20 0 BCADHN CC1(C)OC[C@H](CN[C@@]2(C)CCNC2=O)O1 ZINC000897867562 584055073 /nfs/dbraw/zinc/05/50/73/584055073.db2.gz WGJDZGOUSSMFJR-KWQFWETISA-N 0 3 228.292 0.006 20 0 BCADHN CO[C@H](CN[C@]1(C)CCNC1=O)C1CC1 ZINC000897869371 584056055 /nfs/dbraw/zinc/05/60/55/584056055.db2.gz QVUJNRXLLMXQKI-MWLCHTKSSA-N 0 3 212.293 0.280 20 0 BCADHN C[C@@]1(NCc2cc[nH]c(=O)c2)CCNC1=O ZINC000897870182 584056254 /nfs/dbraw/zinc/05/62/54/584056254.db2.gz YSXXORSRZOPCHX-LLVKDONJSA-N 0 3 221.260 0.155 20 0 BCADHN O=C1CN(c2ccnc(CO)c2)CCN1C1CC1 ZINC000858434163 588954389 /nfs/dbraw/zinc/95/43/89/588954389.db2.gz CDLHCGDHCIJIJJ-UHFFFAOYSA-N 0 3 247.298 0.385 20 0 BCADHN Cc1c[nH]c(CNC2CC(CCO)C2)n1 ZINC000898015726 584074889 /nfs/dbraw/zinc/07/48/89/584074889.db2.gz PTBGUBHJCFMQPJ-UHFFFAOYSA-N 0 3 209.293 0.969 20 0 BCADHN COc1nn(C)cc1CN[C@@H]1CCOC[C@@H]1C ZINC000898025469 584075902 /nfs/dbraw/zinc/07/59/02/584075902.db2.gz HOTKKKNUHNUERX-GXSJLCMTSA-N 0 3 239.319 0.943 20 0 BCADHN CC[C@@H]1C(=O)NCCN1c1ccnc(CO)c1 ZINC000858438435 588954904 /nfs/dbraw/zinc/95/49/04/588954904.db2.gz QIBSEGUTAALYKY-LLVKDONJSA-N 0 3 235.287 0.289 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)NCCN1CCC[C@@H]1C ZINC000898036521 584079244 /nfs/dbraw/zinc/07/92/44/584079244.db2.gz FKJJCPDGMJAXEC-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1cc(=O)cc[nH]1 ZINC000898037719 584079491 /nfs/dbraw/zinc/07/94/91/584079491.db2.gz VEEJYEHCHOBXFI-JTQLQIEISA-N 0 3 249.314 0.589 20 0 BCADHN O[C@H](CCNCc1cnc2cnccn12)C1CC1 ZINC000898203628 584090429 /nfs/dbraw/zinc/09/04/29/584090429.db2.gz YRXKYMZPJYDYDJ-GFCCVEGCSA-N 0 3 246.314 0.980 20 0 BCADHN CCOC(=O)CCN(C)c1ccnc(CO)c1 ZINC000858451107 588956046 /nfs/dbraw/zinc/95/60/46/588956046.db2.gz QZOVSORDZSIJJO-UHFFFAOYSA-N 0 3 238.287 0.963 20 0 BCADHN Cn1cc(CNCC[C@H](O)C2CC2)cn1 ZINC000898208849 584092191 /nfs/dbraw/zinc/09/21/91/584092191.db2.gz MVQFZRAYMMWOCI-NSHDSACASA-N 0 3 209.293 0.671 20 0 BCADHN COc1nccc(CNCC[C@@H](O)C2CC2)n1 ZINC000898197923 584097910 /nfs/dbraw/zinc/09/79/10/584097910.db2.gz LBDLLQABISXIMX-LLVKDONJSA-N 0 3 237.303 0.736 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC[C@@H](O)C1CC1 ZINC000898198473 584098157 /nfs/dbraw/zinc/09/81/57/584098157.db2.gz RFVMVHNFKLWQPY-WCBMZHEXSA-N 0 3 235.349 0.170 20 0 BCADHN C[C@@H]1CC=CC[C@H]1NCc1cn(CC(N)=O)nn1 ZINC000898224439 584102792 /nfs/dbraw/zinc/10/27/92/584102792.db2.gz XFWSFNAXUMLFCH-MWLCHTKSSA-N 0 3 249.318 0.208 20 0 BCADHN Cn1cc([C@@H](CO)Nc2ccnc(CO)c2)cn1 ZINC000858459117 588956979 /nfs/dbraw/zinc/95/69/79/588956979.db2.gz RELUSPBYYUPMIM-GFCCVEGCSA-N 0 3 248.286 0.453 20 0 BCADHN Cc1ncccc1CCNCc1cnnn1C ZINC000898256786 584106648 /nfs/dbraw/zinc/10/66/48/584106648.db2.gz GYLKRKATQRMXLS-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@H]1Nc1ccnc(CO)c1 ZINC000858462036 588957132 /nfs/dbraw/zinc/95/71/32/588957132.db2.gz RJYCJLZELNTGAD-VXGBXAGGSA-N 0 3 249.314 0.901 20 0 BCADHN O=c1ccn(CCCNCc2ccco2)c(=O)[nH]1 ZINC000898334785 584111615 /nfs/dbraw/zinc/11/16/15/584111615.db2.gz NRVAUGFFXQTCHA-UHFFFAOYSA-N 0 3 249.270 0.722 20 0 BCADHN CC(C)COC[C@H](O)CN1CCN(C)[C@H](C)C1 ZINC000730080774 584123454 /nfs/dbraw/zinc/12/34/54/584123454.db2.gz JUBJGICTCSNIOX-CHWSQXEVSA-N 0 3 244.379 0.656 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252883343 584124196 /nfs/dbraw/zinc/12/41/96/584124196.db2.gz UZALLWZXMKIECH-QCZKYFFMSA-N 0 3 238.331 0.356 20 0 BCADHN OCc1cc(N2C[C@@H]3C[C@]3(CO)C2)ccn1 ZINC000858506625 588961417 /nfs/dbraw/zinc/96/14/17/588961417.db2.gz VKEXXTSZRVMLGQ-JOYOIKCWSA-N 0 3 220.272 0.393 20 0 BCADHN OCc1cc(N2CCn3ncnc3C2)ccn1 ZINC000858486758 588959622 /nfs/dbraw/zinc/95/96/22/588959622.db2.gz YERYKBUNEXXFOI-UHFFFAOYSA-N 0 3 231.259 0.186 20 0 BCADHN Cn1cc(CN[C@]23CC(=O)N[C@H]2CCCC3)cn1 ZINC000898472452 584139450 /nfs/dbraw/zinc/13/94/50/584139450.db2.gz RDFYMRIYZVKCNY-WCQYABFASA-N 0 3 248.330 0.711 20 0 BCADHN OCC[C@H]1CCCN1c1ccnc(CO)c1 ZINC000858490789 588959999 /nfs/dbraw/zinc/95/99/99/588959999.db2.gz OLNXUMNQADMNIV-LLVKDONJSA-N 0 3 222.288 0.925 20 0 BCADHN O=C(CCc1cn[nH]n1)N1CC(N2CCCC2)C1 ZINC000898600925 584145826 /nfs/dbraw/zinc/14/58/26/584145826.db2.gz HNCGYUMMBALJGH-UHFFFAOYSA-N 0 3 249.318 0.044 20 0 BCADHN O=C(CCc1c[nH]nn1)N1CC(N2CCCC2)C1 ZINC000898600925 584145827 /nfs/dbraw/zinc/14/58/27/584145827.db2.gz HNCGYUMMBALJGH-UHFFFAOYSA-N 0 3 249.318 0.044 20 0 BCADHN CCc1cc(C(=O)N2CC(N3CCCC3)C2)n[nH]1 ZINC000898614567 584147040 /nfs/dbraw/zinc/14/70/40/584147040.db2.gz VTUFFTGTHXXDNY-UHFFFAOYSA-N 0 3 248.330 0.892 20 0 BCADHN C[C@H]1CN(C)C(=O)CN1c1ccnc(CO)c1 ZINC000858505493 588961116 /nfs/dbraw/zinc/96/11/16/588961116.db2.gz LFGZVVNVBYPUTJ-VIFPVBQESA-N 0 3 235.287 0.241 20 0 BCADHN Cc1n[nH]nc1NC(=O)[C@H]1CCN(C)C1 ZINC000898747902 584156654 /nfs/dbraw/zinc/15/66/54/584156654.db2.gz YEVNKCQQYNZARS-ZETCQYMHSA-N 0 3 209.253 0.003 20 0 BCADHN Cc1n[nH]nc1NC(=O)[C@@H]1CCN(C)C1 ZINC000898747901 584156695 /nfs/dbraw/zinc/15/66/95/584156695.db2.gz YEVNKCQQYNZARS-SSDOTTSWSA-N 0 3 209.253 0.003 20 0 BCADHN Cn1ccc(NCCNc2ccnc(CO)c2)n1 ZINC000858517634 588962408 /nfs/dbraw/zinc/96/24/08/588962408.db2.gz BZWFWDWPXYAVEU-UHFFFAOYSA-N 0 3 247.302 0.831 20 0 BCADHN Cc1cccc(CO[N-]C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000898935095 584166806 /nfs/dbraw/zinc/16/68/06/584166806.db2.gz DZMJJCKJYPZXDG-LLVKDONJSA-N 0 3 249.314 0.890 20 0 BCADHN Cc1cccc(CO[N-]C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC000898935095 584166808 /nfs/dbraw/zinc/16/68/08/584166808.db2.gz DZMJJCKJYPZXDG-LLVKDONJSA-N 0 3 249.314 0.890 20 0 BCADHN C[C@H]1CO[C@H](C(=O)NC[C@@H]2CCCN2C)C1 ZINC000899149345 584178004 /nfs/dbraw/zinc/17/80/04/584178004.db2.gz RLLGBAJTEXBMSI-VWYCJHECSA-N 0 3 226.320 0.622 20 0 BCADHN Cn1ncc(-c2cnc(Cl)n2C)c1CN ZINC000899322310 584196473 /nfs/dbraw/zinc/19/64/73/584196473.db2.gz FXMTWSINRAJFRP-UHFFFAOYSA-N 0 3 225.683 0.933 20 0 BCADHN CN1C(=O)Cc2cc(C=C3CNC3)cnc21 ZINC000899328030 584197948 /nfs/dbraw/zinc/19/79/48/584197948.db2.gz LSZSPOOFQNWLRS-UHFFFAOYSA-N 0 3 215.256 0.587 20 0 BCADHN Cc1[n-]n(C2CC[NH2+]CC2)c(=O)c1C1CC1 ZINC000899363022 584204747 /nfs/dbraw/zinc/20/47/47/584204747.db2.gz BDPWPZZFJVFNPO-NSHDSACASA-N 0 3 221.304 0.983 20 0 BCADHN COC(=O)NCCNc1ccnc(CO)c1 ZINC000858564640 588966764 /nfs/dbraw/zinc/96/67/64/588966764.db2.gz RXKKIKGOBSNPJE-UHFFFAOYSA-N 0 3 225.248 0.342 20 0 BCADHN O=C1CC[C@H](Nc2ccnc(CO)c2)CCN1 ZINC000858570252 588967040 /nfs/dbraw/zinc/96/70/40/588967040.db2.gz HJKSFNGQUOVJRU-VIFPVBQESA-N 0 3 235.287 0.655 20 0 BCADHN CN(CCO)CCNC(=O)CCC1CCCC1 ZINC000899726517 584229774 /nfs/dbraw/zinc/22/97/74/584229774.db2.gz OXCYOYGZXJVCPB-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN Cc1ccccc1C(=O)NCCN(C)CCO ZINC000899726364 584230007 /nfs/dbraw/zinc/23/00/07/584230007.db2.gz MKZMYTPXVHBOKS-UHFFFAOYSA-N 0 3 236.315 0.649 20 0 BCADHN CN(CCO)CCNC(=O)CC(C)(C)C ZINC000899725676 584230045 /nfs/dbraw/zinc/23/00/45/584230045.db2.gz BVNYCEKMSMDZIS-UHFFFAOYSA-N 0 3 216.325 0.463 20 0 BCADHN Cc1ccsc1C(=O)NCCN(C)CCO ZINC000899726572 584230334 /nfs/dbraw/zinc/23/03/34/584230334.db2.gz QOZBTGHYKBLOHS-UHFFFAOYSA-N 0 3 242.344 0.710 20 0 BCADHN CC(C)[C@H](F)C(=O)NCCN(C)CCO ZINC000899737195 584231279 /nfs/dbraw/zinc/23/12/79/584231279.db2.gz CSIWPBLWIWWRND-VIFPVBQESA-N 0 3 220.288 0.021 20 0 BCADHN C[C@@H](C(=O)NCCN(C)CCO)C1CC1 ZINC000899734837 584231407 /nfs/dbraw/zinc/23/14/07/584231407.db2.gz UMRUYTVNTJKXJE-SECBINFHSA-N 0 3 214.309 0.073 20 0 BCADHN CS[C@H](C)CCC(=O)NCCN(C)CCO ZINC000899736328 584231503 /nfs/dbraw/zinc/23/15/03/584231503.db2.gz AJTCCVSVZQKXKH-SNVBAGLBSA-N 0 3 248.392 0.558 20 0 BCADHN CC1=C(C(=O)NCCN(C)CCO)CCCO1 ZINC000899736678 584231820 /nfs/dbraw/zinc/23/18/20/584231820.db2.gz OPBVMPZHSABSMW-UHFFFAOYSA-N 0 3 242.319 0.111 20 0 BCADHN CS[C@@H](C)CC(=O)NCCN(C)CCO ZINC000899737107 584232074 /nfs/dbraw/zinc/23/20/74/584232074.db2.gz YLTYDLBZBCXYRZ-VIFPVBQESA-N 0 3 234.365 0.168 20 0 BCADHN CSCC(C)(C)C(=O)NCCN(C)CCO ZINC000899737493 584232294 /nfs/dbraw/zinc/23/22/94/584232294.db2.gz JECUHJWWEGVGBV-UHFFFAOYSA-N 0 3 248.392 0.416 20 0 BCADHN CC(C)C[C@H](C)C(=O)NCCN(C)CCO ZINC000899738308 584232339 /nfs/dbraw/zinc/23/23/39/584232339.db2.gz YMJOOKSXDOTKQL-NSHDSACASA-N 0 3 230.352 0.709 20 0 BCADHN CCC(C)(CC)C(=O)NCCN(C)CCO ZINC000899737360 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/nfs/dbraw/zinc/37/53/62/584375362.db2.gz BAUJYQVTZXGTPT-RHOXPIEDSA-N 0 3 238.331 0.665 20 0 BCADHN CN(C)CCn1nccc1C(=O)NCCCF ZINC000901113091 584386114 /nfs/dbraw/zinc/38/61/14/584386114.db2.gz BFRWXQNIUXMFRW-UHFFFAOYSA-N 0 3 242.298 0.534 20 0 BCADHN CC[C@@H](C(=O)N1CCO[C@@H](C)[C@@H]1C)N(C)C ZINC000901102078 584388179 /nfs/dbraw/zinc/38/81/79/584388179.db2.gz PMYLYLQBGIFFKN-DCAQKATOSA-N 0 3 228.336 0.962 20 0 BCADHN CC[C@@H](C(=O)N1CCO[C@H](C)[C@@H]1C)N(C)C ZINC000901102077 584388186 /nfs/dbraw/zinc/38/81/86/584388186.db2.gz PMYLYLQBGIFFKN-AXFHLTTASA-N 0 3 228.336 0.962 20 0 BCADHN O=C(CCF)NC[C@H](O)CN1CCCCC1 ZINC000901135861 584389329 /nfs/dbraw/zinc/38/93/29/584389329.db2.gz WCLWLCJFWWZGRM-JTQLQIEISA-N 0 3 232.299 0.309 20 0 BCADHN CC[C@@H](C(=O)N1CCN(C)[C@@H](C)[C@H]1C)N(C)C ZINC000901306352 584419828 /nfs/dbraw/zinc/41/98/28/584419828.db2.gz JZCGHJOQKREARC-TUAOUCFPSA-N 0 3 241.379 0.878 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H](C)[C@@H](O)C1)N(C)C ZINC000901284370 584421573 /nfs/dbraw/zinc/42/15/73/584421573.db2.gz BJGLDCWWRMQASG-UTLUCORTSA-N 0 3 214.309 0.166 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C23CCN(CC2)C3)CCO1 ZINC000901293782 584423192 /nfs/dbraw/zinc/42/31/92/584423192.db2.gz NACBYLABXRADDN-WDEREUQCSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@H]1CCOCCN1C(=O)C12CCN(CC1)C2 ZINC000901330463 584424588 /nfs/dbraw/zinc/42/45/88/584424588.db2.gz RKGFRNUZSDWTDM-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN O=C(NC[C@@H](O)CN1CCCCC1)OCCF ZINC000859003738 588990014 /nfs/dbraw/zinc/99/00/14/588990014.db2.gz WIGPGHPNUGDSJK-SNVBAGLBSA-N 0 3 248.298 0.529 20 0 BCADHN CCn1cnc(CNCCCn2cncn2)c1 ZINC000902055583 584518488 /nfs/dbraw/zinc/51/84/88/584518488.db2.gz TXDMAAOMXATTIW-UHFFFAOYSA-N 0 3 234.307 0.674 20 0 BCADHN Cn1ccnc1NCc1c2c(nn1C)CCOC2 ZINC000902116962 584528225 /nfs/dbraw/zinc/52/82/25/584528225.db2.gz XLTFWNHMHGQENF-UHFFFAOYSA-N 0 3 247.302 0.838 20 0 BCADHN CN(CN1CCOC1=O)[C@H]1CCN(C2CC2)C1 ZINC000902127078 584528818 /nfs/dbraw/zinc/52/88/18/584528818.db2.gz LTDPEKLOECCDRG-NSHDSACASA-N 0 3 239.319 0.565 20 0 BCADHN CN(C)[C@H]1CCCN(CN2CCOC2=O)C1 ZINC000902145986 584530415 /nfs/dbraw/zinc/53/04/15/584530415.db2.gz AFJUUOOJDKBYGC-JTQLQIEISA-N 0 3 227.308 0.422 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1CN1CCOC1=O ZINC000902149442 584530474 /nfs/dbraw/zinc/53/04/74/584530474.db2.gz IQWHOAIBNNZBSZ-LLVKDONJSA-N 0 3 241.335 0.668 20 0 BCADHN CCn1cnc(CNC[C@@H](C)N(C)C)c1 ZINC000902193809 584537025 /nfs/dbraw/zinc/53/70/25/584537025.db2.gz BZDUNZGCZWOSNW-SNVBAGLBSA-N 0 3 210.325 0.943 20 0 BCADHN CCn1cnc(CNC[C@@](C)(O)CCOC)c1 ZINC000902247765 584546218 /nfs/dbraw/zinc/54/62/18/584546218.db2.gz IRGWESJKZIJNGA-LBPRGKRZSA-N 0 3 241.335 0.780 20 0 BCADHN COc1cc(CONC(=N)[C@@H](C)OC)on1 ZINC000902281564 584547285 /nfs/dbraw/zinc/54/72/85/584547285.db2.gz LLOMIFGLCSWJSA-ZCFIWIBFSA-N 0 3 229.236 0.717 20 0 BCADHN CN(C[C@@H]1CCCN1C)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902301422 584553624 /nfs/dbraw/zinc/55/36/24/584553624.db2.gz VDZIPMZKQRKWNO-SRVKXCTJSA-N 0 3 237.347 0.448 20 0 BCADHN CC[C@H](NCCCON)c1nccn1C ZINC000902422902 584593243 /nfs/dbraw/zinc/59/32/43/584593243.db2.gz FXUYPLSQYBFHBR-VIFPVBQESA-N 0 3 212.297 0.741 20 0 BCADHN C[C@H](NCCCON)c1cc2n(n1)CCC2 ZINC000902414894 584600223 /nfs/dbraw/zinc/60/02/23/584600223.db2.gz FYUULWCFHPVFSX-VIFPVBQESA-N 0 3 224.308 0.760 20 0 BCADHN CCCN(CC(=O)NC)CC1CC(OC)C1 ZINC000859088745 588999532 /nfs/dbraw/zinc/99/95/32/588999532.db2.gz WMEGHHPLPYZGSO-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H]1CN(C)C[C@@H]1NCc1csc(N)n1 ZINC000902488487 584626835 /nfs/dbraw/zinc/62/68/35/584626835.db2.gz HCTZTFGVHGZWRH-CBAPKCEASA-N 0 3 226.349 0.765 20 0 BCADHN COc1cc(CONC(=N)CO)sn1 ZINC000902535706 584628001 /nfs/dbraw/zinc/62/80/01/584628001.db2.gz KDHAJPJVLSTOMI-UHFFFAOYSA-N 0 3 217.250 0.142 20 0 BCADHN Cc1cc(CNC[C@@](C)(O)CO)cnc1F ZINC000902541149 584629029 /nfs/dbraw/zinc/62/90/29/584629029.db2.gz PFEINNOSUCCWLI-LLVKDONJSA-N 0 3 228.267 0.362 20 0 BCADHN CCn1cnc(CNCC2(CC(N)=O)CC2)c1 ZINC000902600499 584640846 /nfs/dbraw/zinc/64/08/46/584640846.db2.gz FCOYHHAGESOKRH-UHFFFAOYSA-N 0 3 236.319 0.648 20 0 BCADHN CCn1cnc(CNCCCc2ncn(C)n2)c1 ZINC000902603408 584641927 /nfs/dbraw/zinc/64/19/27/584641927.db2.gz DXLJHEQVHYLAJS-UHFFFAOYSA-N 0 3 248.334 0.754 20 0 BCADHN CCc1noc(C(=O)NC[C@H](C)N(C)C)n1 ZINC000902617137 584644150 /nfs/dbraw/zinc/64/41/50/584644150.db2.gz JTINPMWEQODECO-ZETCQYMHSA-N 0 3 226.280 0.312 20 0 BCADHN OC[C@H](O)CNCc1cnn(CC2CCC2)c1 ZINC000902726913 584661346 /nfs/dbraw/zinc/66/13/46/584661346.db2.gz JPJRDDINWXNCOH-GFCCVEGCSA-N 0 3 239.319 0.126 20 0 BCADHN O=C(NCCN1CCCC1)OC1COC1 ZINC000902781166 584670291 /nfs/dbraw/zinc/67/02/91/584670291.db2.gz HZVGHIJVMBBBCN-UHFFFAOYSA-N 0 3 214.265 0.207 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)OC2COC2)C1 ZINC000902803633 584671186 /nfs/dbraw/zinc/67/11/86/584671186.db2.gz OISSREWDMWMPBB-SNVBAGLBSA-N 0 3 242.319 0.843 20 0 BCADHN C[C@H]1CCCN(CCNC(=O)OC2COC2)C1 ZINC000902803632 584671337 /nfs/dbraw/zinc/67/13/37/584671337.db2.gz OISSREWDMWMPBB-JTQLQIEISA-N 0 3 242.319 0.843 20 0 BCADHN CC(C)N1CCC(NC(=O)OC2COC2)CC1 ZINC000902786971 584672087 /nfs/dbraw/zinc/67/20/87/584672087.db2.gz NXMBASJCGZVNLB-UHFFFAOYSA-N 0 3 242.319 0.984 20 0 BCADHN C[C@H](CNC(=O)OC1COC1)N1CCCCC1 ZINC000902815929 584678163 /nfs/dbraw/zinc/67/81/63/584678163.db2.gz QTQDGAQAYYEAAF-SNVBAGLBSA-N 0 3 242.319 0.986 20 0 BCADHN CN1CC[C@@H](CNC(=O)OC2COC2)C1 ZINC000902845466 584681509 /nfs/dbraw/zinc/68/15/09/584681509.db2.gz TXMUMNNYTRKORM-QMMMGPOBSA-N 0 3 214.265 0.063 20 0 BCADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)OC1COC1 ZINC000902874827 584684430 /nfs/dbraw/zinc/68/44/30/584684430.db2.gz MNIUOSPQBFQYQY-GXSJLCMTSA-N 0 3 242.319 0.794 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)OC1COC1 ZINC000902856692 584685302 /nfs/dbraw/zinc/68/53/02/584685302.db2.gz BGBSVLLWSMVZKA-JTQLQIEISA-N 0 3 242.319 0.986 20 0 BCADHN CCCCN(C)CCNC(=O)CCO ZINC000902861051 584686231 /nfs/dbraw/zinc/68/62/31/584686231.db2.gz HCVXGPDROOBDJO-UHFFFAOYSA-N 0 3 202.298 0.217 20 0 BCADHN C[C@H]1CCN(CCNC(=O)OC2COC2)C1 ZINC000902888319 584689881 /nfs/dbraw/zinc/68/98/81/584689881.db2.gz VQRIVSQJGHMMDO-VIFPVBQESA-N 0 3 228.292 0.453 20 0 BCADHN COC1CC(CN2CCCNC(=O)C2)C1 ZINC000859115941 589004352 /nfs/dbraw/zinc/00/43/52/589004352.db2.gz LIEWGDDFPAPBHH-UHFFFAOYSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@H](NC(=O)CCO)C1=CCN(C)CC1 ZINC000902921433 584692859 /nfs/dbraw/zinc/69/28/59/584692859.db2.gz VXQJJRFOKVCHPI-VIFPVBQESA-N 0 3 212.293 0.135 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)OC1COC1 ZINC000902900575 584693443 /nfs/dbraw/zinc/69/34/43/584693443.db2.gz REAMWGPPZDLHBV-KWQFWETISA-N 0 3 240.303 0.594 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)Nc2ccncc2)CCN1C ZINC000902929286 584698195 /nfs/dbraw/zinc/69/81/95/584698195.db2.gz RYJUEYVSKARMHR-KOLCDFICSA-N 0 3 234.303 0.718 20 0 BCADHN C[C@H]1[C@H](NC(=O)Nc2ccncn2)CCN1C ZINC000902929737 584698510 /nfs/dbraw/zinc/69/85/10/584698510.db2.gz YANGIPKTNPCCJJ-DTWKUNHWSA-N 0 3 235.291 0.691 20 0 BCADHN C[C@@H]1[C@H](NC(=O)Nc2nncs2)CCN1C ZINC000902930045 584698784 /nfs/dbraw/zinc/69/87/84/584698784.db2.gz ZJAKFTHLSLKSDP-RNFRBKRXSA-N 0 3 241.320 0.752 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)OC1COC1 ZINC000902936541 584700167 /nfs/dbraw/zinc/70/01/67/584700167.db2.gz YRPJCCBBWULQHA-ZETCQYMHSA-N 0 3 202.254 0.062 20 0 BCADHN CN1CC[C@]2(CCN(C(=O)OC3COC3)C2)C1 ZINC000902938275 584700767 /nfs/dbraw/zinc/70/07/67/584700767.db2.gz IUZZKLDEKTVTIC-LBPRGKRZSA-N 0 3 240.303 0.549 20 0 BCADHN C[C@@H]1CN(C(=O)CCO)CCN(C2CCC2)C1 ZINC000902938028 584700788 /nfs/dbraw/zinc/70/07/88/584700788.db2.gz HTQFELINTTWZFQ-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H]1CN(C(=O)CCO)CCN(C2CC2)C1 ZINC000902937710 584700994 /nfs/dbraw/zinc/70/09/94/584700994.db2.gz BAHRDYXVEYVJMD-JTQLQIEISA-N 0 3 226.320 0.312 20 0 BCADHN CN1CCC[C@@]2(CCN(C(=O)CCO)C2)C1 ZINC000902938584 584701059 /nfs/dbraw/zinc/70/10/59/584701059.db2.gz IVCMEHFNZCWGCZ-GFCCVEGCSA-N 0 3 226.320 0.313 20 0 BCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)OC1COC1 ZINC000902968118 584703124 /nfs/dbraw/zinc/70/31/24/584703124.db2.gz XCCFSFBRGNFTGI-VHSXEESVSA-N 0 3 240.303 0.690 20 0 BCADHN CCN(C(=O)OC1COC1)C1CCN(C)CC1 ZINC000902960959 584706587 /nfs/dbraw/zinc/70/65/87/584706587.db2.gz GDHHEDQRCGPQRN-UHFFFAOYSA-N 0 3 242.319 0.938 20 0 BCADHN C[C@@H](O)CCN1CC[C@@H](Nc2ncccn2)C1 ZINC000903019190 584713822 /nfs/dbraw/zinc/71/38/22/584713822.db2.gz KAIAAXGLDZSRII-GHMZBOCLSA-N 0 3 236.319 0.734 20 0 BCADHN CC[C@@H](CO)N1CC[C@@H](Nc2ncccn2)C1 ZINC000903020135 584715182 /nfs/dbraw/zinc/71/51/82/584715182.db2.gz VWDGRMRELDMJOG-MNOVXSKESA-N 0 3 236.319 0.734 20 0 BCADHN CN1CCC2(CCN2C(=O)OC2COC2)CC1 ZINC000903033921 584718394 /nfs/dbraw/zinc/71/83/94/584718394.db2.gz FDTKCLPWHKQMCJ-UHFFFAOYSA-N 0 3 240.303 0.692 20 0 BCADHN COCCCN1CC[C@@H](Nc2ncccn2)C1 ZINC000903023291 584721017 /nfs/dbraw/zinc/72/10/17/584721017.db2.gz NZLDXMJHJMQTML-LLVKDONJSA-N 0 3 236.319 0.999 20 0 BCADHN C[C@H](O)CN1CC[C@@H](Nc2ncccn2)C1 ZINC000903024834 584721178 /nfs/dbraw/zinc/72/11/78/584721178.db2.gz YJQWYMHLHSRADB-VHSXEESVSA-N 0 3 222.292 0.344 20 0 BCADHN CCn1nncc1CN[C@@H]1CCC[C@H]1OC ZINC000903207752 584736368 /nfs/dbraw/zinc/73/63/68/584736368.db2.gz ZYEGLSFQPHSGCL-GHMZBOCLSA-N 0 3 224.308 0.955 20 0 BCADHN CO[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)N(C)OC ZINC000903208833 584736486 /nfs/dbraw/zinc/73/64/86/584736486.db2.gz AIIKRGLRBAGJSG-KXUCPTDWSA-N 0 3 230.308 0.552 20 0 BCADHN C[C@@H](O)[C@@H]1CCCCN1CCc1cn(C)nn1 ZINC000859132152 589007451 /nfs/dbraw/zinc/00/74/51/589007451.db2.gz RVBSPFJSQWKFNZ-PWSUYJOCSA-N 0 3 238.335 0.593 20 0 BCADHN COc1nn(C)cc1CN[C@@H](C)C(C)(C)CO ZINC000903338120 584751960 /nfs/dbraw/zinc/75/19/60/584751960.db2.gz OMSGKVPKCAGVHW-VIFPVBQESA-N 0 3 241.335 0.925 20 0 BCADHN C[C@@H](NCCCc1nnnn1C)c1ccn(C)n1 ZINC000903351848 584755465 /nfs/dbraw/zinc/75/54/65/584755465.db2.gz PRFDTFHVAPLNSI-SECBINFHSA-N 0 3 249.322 0.227 20 0 BCADHN CCN1CCC[C@@H](N[C@H](C)CCO)C1=O ZINC000903391778 584756099 /nfs/dbraw/zinc/75/60/99/584756099.db2.gz GTAUAYCKWZDJNQ-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1NCC[C@H](O)C1CC1 ZINC000903407181 584758880 /nfs/dbraw/zinc/75/88/80/584758880.db2.gz MTFROZGOQMXOHO-UWVGGRQHSA-N 0 3 226.320 0.262 20 0 BCADHN CNCCN(C(C)C)S(=O)(=O)N(C)C1CC1 ZINC000903589749 584783847 /nfs/dbraw/zinc/78/38/47/584783847.db2.gz KOLRFGQFEVHKDT-UHFFFAOYSA-N 0 3 249.380 0.255 20 0 BCADHN CC(C)N(C)C(=O)C(=O)N1C[C@@H](N)C(C)(C)C1 ZINC000903714142 584793615 /nfs/dbraw/zinc/79/36/15/584793615.db2.gz NXFFJZHIVYACGG-SECBINFHSA-N 0 3 241.335 0.049 20 0 BCADHN COC(=O)[C@H]1CNCCCN1CC1CC(C)C1 ZINC000903748953 584794724 /nfs/dbraw/zinc/79/47/24/584794724.db2.gz FAIOGZAQMRRMDF-HTAVTVPLSA-N 0 3 240.347 0.869 20 0 BCADHN Cc1cnc(CN2CCNC[C@H]2C(F)F)nc1 ZINC000903748781 584794867 /nfs/dbraw/zinc/79/48/67/584794867.db2.gz ABYWKUUGFOFYPO-VIFPVBQESA-N 0 3 242.273 0.824 20 0 BCADHN N[C@@H]1CN(C[C@@H]2C[C@@H]3COC[C@H]3O2)CC[C@H]1F ZINC000903765195 584797346 /nfs/dbraw/zinc/79/73/46/584797346.db2.gz FKHPNUNAFKPPNC-IYKVGLELSA-N 0 3 244.310 0.161 20 0 BCADHN C[C@H]1CCOCCN1C[C@H]1CNCCO1 ZINC000903830936 584805795 /nfs/dbraw/zinc/80/57/95/584805795.db2.gz BQNLJHUBFUEYHJ-WDEREUQCSA-N 0 3 214.309 0.086 20 0 BCADHN CO[C@@H]1CCN(CCOC2CCOCC2)C1 ZINC000859156573 589010752 /nfs/dbraw/zinc/01/07/52/589010752.db2.gz MFAWESBWSYGXLX-GFCCVEGCSA-N 0 3 229.320 0.903 20 0 BCADHN Cc1n[nH]cc1CNCc1cc(N)ccn1 ZINC000903949466 584830431 /nfs/dbraw/zinc/83/04/31/584830431.db2.gz BBABNLRAWPNLRR-UHFFFAOYSA-N 0 3 217.276 0.985 20 0 BCADHN CN1CC[C@@H](Cc2nc(-c3cn[nH]c3)no2)C1 ZINC000904091750 584842149 /nfs/dbraw/zinc/84/21/49/584842149.db2.gz MHGJLEQECVWKTM-QMMMGPOBSA-N 0 3 233.275 0.954 20 0 BCADHN Nc1ccc(CNC2(CO)CCCCC2)nn1 ZINC000904331982 584865822 /nfs/dbraw/zinc/86/58/22/584865822.db2.gz LYEGUENVGHFYBH-UHFFFAOYSA-N 0 3 236.319 0.844 20 0 BCADHN Nc1ccc(CN2CC[C@H]([C@H]3CCOC3)C2)nn1 ZINC000904342339 584867022 /nfs/dbraw/zinc/86/70/22/584867022.db2.gz DLNIPMSBDNCXDN-QWRGUYRKSA-N 0 3 248.330 0.917 20 0 BCADHN C[C@H]1[C@H](C)N(Cc2ccc(N)nn2)CCN1C ZINC000904346752 584868075 /nfs/dbraw/zinc/86/80/75/584868075.db2.gz WOTSRRONFKAFKC-UWVGGRQHSA-N 0 3 235.335 0.583 20 0 BCADHN Nc1ccc(CN[C@@H]2CCCOCC2)nn1 ZINC000904367432 584872522 /nfs/dbraw/zinc/87/25/22/584872522.db2.gz AMVAEXLETAPFJO-SECBINFHSA-N 0 3 222.292 0.718 20 0 BCADHN Nc1ccc(CNCCCn2ccnc2)nn1 ZINC000904367611 584872543 /nfs/dbraw/zinc/87/25/43/584872543.db2.gz GDJFEZQFSOXXPI-UHFFFAOYSA-N 0 3 232.291 0.435 20 0 BCADHN Nc1ccc(CNC[C@@H]2CCCCO2)nn1 ZINC000904368380 584872647 /nfs/dbraw/zinc/87/26/47/584872647.db2.gz QTLZSZAULUKOFK-JTQLQIEISA-N 0 3 222.292 0.718 20 0 BCADHN Nc1ccc(CNCC2CCOCC2)nn1 ZINC000904366606 584874715 /nfs/dbraw/zinc/87/47/15/584874715.db2.gz MQWVMZZCAOTPRK-UHFFFAOYSA-N 0 3 222.292 0.575 20 0 BCADHN CO[N-]C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000788274461 584884769 /nfs/dbraw/zinc/88/47/69/584884769.db2.gz NKBSYRNOPFLRSU-SECBINFHSA-N 0 3 200.282 0.929 20 0 BCADHN CO[N-]C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000788274461 584884770 /nfs/dbraw/zinc/88/47/70/584884770.db2.gz NKBSYRNOPFLRSU-SECBINFHSA-N 0 3 200.282 0.929 20 0 BCADHN CC/C=C(/F)C(=O)N1CCN(C)C[C@@H]1CN ZINC000876542886 584886156 /nfs/dbraw/zinc/88/61/56/584886156.db2.gz YRSDQVARDFJQPR-YNYSXPKMSA-N 0 3 229.299 0.351 20 0 BCADHN C[S@@](=O)CCNCc1cccc(F)c1N ZINC000877052637 584889107 /nfs/dbraw/zinc/88/91/07/584889107.db2.gz ZAMKCOQMHGFBLP-OAHLLOKOSA-N 0 3 230.308 0.876 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCCN(C)CC(F)F ZINC000877118284 584890628 /nfs/dbraw/zinc/89/06/28/584890628.db2.gz UTNIZJDNSITOQL-QMMMGPOBSA-N 0 3 249.305 0.440 20 0 BCADHN CN(CCCN1CCOC1=O)[C@@H]1CCOC1 ZINC000730265388 584897550 /nfs/dbraw/zinc/89/75/50/584897550.db2.gz SGPJRDPYVDMDHB-SNVBAGLBSA-N 0 3 228.292 0.549 20 0 BCADHN CN(CCCN1CCOC1=O)[C@H]1CCOC1 ZINC000730265387 584897685 /nfs/dbraw/zinc/89/76/85/584897685.db2.gz SGPJRDPYVDMDHB-JTQLQIEISA-N 0 3 228.292 0.549 20 0 BCADHN CN(C)CCNC(=S)N[C@H]1CC[C@H](O)CC1 ZINC000753673826 584902746 /nfs/dbraw/zinc/90/27/46/584902746.db2.gz MGFRPCOBFCZKHS-MGCOHNPYSA-N 0 3 245.392 0.316 20 0 BCADHN C/C=C/[C@H](O)C(=O)NC[C@H](CN(C)C)OCC ZINC000831708026 584910794 /nfs/dbraw/zinc/91/07/94/584910794.db2.gz OWQYKLYIRFZBKN-HQVCXTMKSA-N 0 3 244.335 0.006 20 0 BCADHN COC(=O)NCCCC(=O)NC[C@H](C)N(C)C ZINC000730771236 584915355 /nfs/dbraw/zinc/91/53/55/584915355.db2.gz GABJWPQDXHIFTF-VIFPVBQESA-N 0 3 245.323 0.189 20 0 BCADHN CN(C)CCNC(=S)NCCOCC1CC1 ZINC000730951439 584920183 /nfs/dbraw/zinc/92/01/83/584920183.db2.gz UEDGLXOASYCASZ-UHFFFAOYSA-N 0 3 245.392 0.439 20 0 BCADHN CCNC(=S)N[C@@H]1CCN(CC2CC2)C1 ZINC000730958217 584920656 /nfs/dbraw/zinc/92/06/56/584920656.db2.gz VIVDNPRILCBMDB-SNVBAGLBSA-N 0 3 227.377 0.955 20 0 BCADHN CCOC(=O)CC(=O)N[C@@H](CN(C)C)C(C)C ZINC000733164423 584943803 /nfs/dbraw/zinc/94/38/03/584943803.db2.gz SHVXDUKOQNKNJL-JTQLQIEISA-N 0 3 244.335 0.642 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](CN(C)C)C(C)C ZINC000733164413 584943952 /nfs/dbraw/zinc/94/39/52/584943952.db2.gz RXEZQGXKDILQDV-ONGXEEELSA-N 0 3 243.351 0.213 20 0 BCADHN CCOC(=O)CC(=O)N[C@H](CN(C)C)C(C)C ZINC000733164424 584944041 /nfs/dbraw/zinc/94/40/41/584944041.db2.gz SHVXDUKOQNKNJL-SNVBAGLBSA-N 0 3 244.335 0.642 20 0 BCADHN CC(C)N1CCCN(CN2CCCC2=O)CC1 ZINC000733297579 584946512 /nfs/dbraw/zinc/94/65/12/584946512.db2.gz PFJCUKGJGVYAPT-UHFFFAOYSA-N 0 3 239.363 0.982 20 0 BCADHN COCC[C@H](N)C(=O)Nc1cc(OC)ccn1 ZINC000884427448 584953390 /nfs/dbraw/zinc/95/33/90/584953390.db2.gz WQLWCUSYIRMNJD-VIFPVBQESA-N 0 3 239.275 0.393 20 0 BCADHN COCCN1CCN(C[C@@H](O)C2CC2)CC1 ZINC000734149906 584957575 /nfs/dbraw/zinc/95/75/75/584957575.db2.gz LGEBLBSWHRWBLN-GFCCVEGCSA-N 0 3 228.336 0.021 20 0 BCADHN COCCN1CCN(C[C@H](O)C2CC2)CC1 ZINC000734149907 584957827 /nfs/dbraw/zinc/95/78/27/584957827.db2.gz LGEBLBSWHRWBLN-LBPRGKRZSA-N 0 3 228.336 0.021 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)C2=COCC2)C1 ZINC000734127720 584958828 /nfs/dbraw/zinc/95/88/28/584958828.db2.gz ZXKBDZIISTYAKM-LLVKDONJSA-N 0 3 224.304 0.843 20 0 BCADHN CCOCCN1CCN(C[C@@H](O)C2CC2)CC1 ZINC000734209273 584959442 /nfs/dbraw/zinc/95/94/42/584959442.db2.gz DSXQFPISMQQGEO-CYBMUJFWSA-N 0 3 242.363 0.411 20 0 BCADHN COC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000734452421 584962746 /nfs/dbraw/zinc/96/27/46/584962746.db2.gz YTOFTIOEYAJKHG-NSHDSACASA-N 0 3 241.335 0.465 20 0 BCADHN Cc1nonc1CNC(=O)[C@@H](C(C)C)N(C)C ZINC000735819770 584982001 /nfs/dbraw/zinc/98/20/01/584982001.db2.gz ZWYLEHPCSMCZQP-SNVBAGLBSA-N 0 3 240.307 0.580 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)C3=CCCCO3)[C@@H]2C1 ZINC000816950406 584982330 /nfs/dbraw/zinc/98/23/30/584982330.db2.gz RIOKOFHPWXHVMA-WDEREUQCSA-N 0 3 236.315 0.843 20 0 BCADHN CN1CCCN(C(=O)/C=C\[C@H]2CCCO2)CC1 ZINC000819002166 584998415 /nfs/dbraw/zinc/99/84/15/584998415.db2.gz IGACVYUKGSSMRI-FOQNGQEVSA-N 0 3 238.331 0.886 20 0 BCADHN CN1CCCN(C(=O)/C=C/[C@@H]2CCCO2)CC1 ZINC000819002171 584998435 /nfs/dbraw/zinc/99/84/35/584998435.db2.gz IGACVYUKGSSMRI-FYJFLYSWSA-N 0 3 238.331 0.886 20 0 BCADHN CN1CCC2(CCN2C(=O)[C@H](O)C2CC2)CC1 ZINC000889222957 585001220 /nfs/dbraw/zinc/00/12/20/585001220.db2.gz HUIMBTJIHKGFSI-LLVKDONJSA-N 0 3 238.331 0.454 20 0 BCADHN CC(=O)CCCOC(=O)C1CCN(C)C1=O ZINC000772516154 585015213 /nfs/dbraw/zinc/01/52/13/585015213.db2.gz BFODKRHHDIVNPM-SECBINFHSA-N 0 3 227.260 0.377 20 0 BCADHN CC[C@H](CO)C(=O)NCCN1CCC(C)(C)C1 ZINC000890068201 585020680 /nfs/dbraw/zinc/02/06/80/585020680.db2.gz JAWMIHHDYNZXAA-LLVKDONJSA-N 0 3 242.363 0.853 20 0 BCADHN COCCN(C)CCN[C@H](C)c1c[nH]nc1C ZINC000180404187 585033184 /nfs/dbraw/zinc/03/31/84/585033184.db2.gz ZSJPJLUBLQWHLV-SNVBAGLBSA-N 0 3 240.351 0.947 20 0 BCADHN Cc1[nH]nc(CN[C@@H]2CCCN(C)C2=O)c1C ZINC000886008619 585034534 /nfs/dbraw/zinc/03/45/34/585034534.db2.gz RBPJASILTQTQNH-SNVBAGLBSA-N 0 3 236.319 0.737 20 0 BCADHN CN(C)[C@@H]1CCCN(CN2CCCC2=O)C1 ZINC000738143310 585041462 /nfs/dbraw/zinc/04/14/62/585041462.db2.gz LJVGFZYNEFXRPZ-LLVKDONJSA-N 0 3 225.336 0.592 20 0 BCADHN COC(=O)[C@@H](F)CNC(=O)C1(N(C)C)CCC1 ZINC000838070219 585044378 /nfs/dbraw/zinc/04/43/78/585044378.db2.gz APBLCOHYIHMPAW-QMMMGPOBSA-N 0 3 246.282 0.098 20 0 BCADHN CC(C)ONC(=O)NCCOCCN(C)C ZINC000838567213 585060715 /nfs/dbraw/zinc/06/07/15/585060715.db2.gz QENDZGJQJPYMSH-UHFFFAOYSA-N 0 3 233.312 0.204 20 0 BCADHN CCON(C)C(=O)NC[C@H](C)N(C)C ZINC000838682662 585065006 /nfs/dbraw/zinc/06/50/06/585065006.db2.gz AZTMLAHSCRSHPC-QMMMGPOBSA-N 0 3 203.286 0.529 20 0 BCADHN CCn1ncc(CN2CCN(CC3CC3)CC2)n1 ZINC000838796524 585068849 /nfs/dbraw/zinc/06/88/49/585068849.db2.gz JNASDWLMARAOGR-UHFFFAOYSA-N 0 3 249.362 0.826 20 0 BCADHN CCCN(CC(=O)NC)C[C@H](O)C1CC1 ZINC000838799101 585069004 /nfs/dbraw/zinc/06/90/04/585069004.db2.gz KTFPPVWSEDBMAQ-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN CCn1ncc(CN2CC[C@@H](N3CCCC3)C2)n1 ZINC000838811537 585071212 /nfs/dbraw/zinc/07/12/12/585071212.db2.gz WHDXRBJAJXVRNQ-CYBMUJFWSA-N 0 3 249.362 0.968 20 0 BCADHN O[C@@H](CN1CCCC[C@H]1C1OCCO1)C1CC1 ZINC000838816191 585071410 /nfs/dbraw/zinc/07/14/10/585071410.db2.gz CVBMYNVRQKTFBT-RYUDHWBXSA-N 0 3 241.331 0.985 20 0 BCADHN O[C@H](CN1CCCC[C@H]1C1OCCO1)C1CC1 ZINC000838816188 585071524 /nfs/dbraw/zinc/07/15/24/585071524.db2.gz CVBMYNVRQKTFBT-NWDGAFQWSA-N 0 3 241.331 0.985 20 0 BCADHN CCn1ncc(CN(C)[C@@H]2CCN(C3CC3)C2)n1 ZINC000838820700 585071941 /nfs/dbraw/zinc/07/19/41/585071941.db2.gz QQNWEFDGMVSQLT-CYBMUJFWSA-N 0 3 249.362 0.967 20 0 BCADHN COCCN(CCC(=O)OC)C[C@@H](O)C1CC1 ZINC000838846138 585074222 /nfs/dbraw/zinc/07/42/22/585074222.db2.gz DMSKFUFQUVTJMV-LLVKDONJSA-N 0 3 245.319 0.269 20 0 BCADHN OCC[C@H]1CSCCN1C[C@@H](O)C1CC1 ZINC000838870936 585076969 /nfs/dbraw/zinc/07/69/69/585076969.db2.gz RFYUEUGVHZWABL-WDEREUQCSA-N 0 3 231.361 0.557 20 0 BCADHN CCn1ncc(CNCC(C)(C)N(C)C)n1 ZINC000838889891 585078551 /nfs/dbraw/zinc/07/85/51/585078551.db2.gz FCOZJMUTXRGACV-UHFFFAOYSA-N 0 3 225.340 0.728 20 0 BCADHN O[C@@H](CN1CCCC2(C1)OCCO2)C1CC1 ZINC000838897306 585079250 /nfs/dbraw/zinc/07/92/50/585079250.db2.gz FKAIYNVHJFCAIJ-NSHDSACASA-N 0 3 227.304 0.596 20 0 BCADHN NC(=O)C1(NC[C@H](O)C2CC2)CCCCC1 ZINC000838900774 585079934 /nfs/dbraw/zinc/07/99/34/585079934.db2.gz OMNWFTKMYIUEHE-JTQLQIEISA-N 0 3 226.320 0.535 20 0 BCADHN O=c1[nH]ccc2c1CN(C[C@@H](O)C1CC1)CC2 ZINC000838967617 585082874 /nfs/dbraw/zinc/08/28/74/585082874.db2.gz VFXMUCPDXFUNBL-GFCCVEGCSA-N 0 3 234.299 0.916 20 0 BCADHN CC(C)OC[C@H](CO)N(C)C[C@@H](O)C1CC1 ZINC000838971509 585083064 /nfs/dbraw/zinc/08/30/64/585083064.db2.gz MGQQBYFJNOSPGC-NWDGAFQWSA-N 0 3 231.336 0.475 20 0 BCADHN CC(C)OC[C@H](CO)N(C)C[C@H](O)C1CC1 ZINC000838971511 585083208 /nfs/dbraw/zinc/08/32/08/585083208.db2.gz MGQQBYFJNOSPGC-RYUDHWBXSA-N 0 3 231.336 0.475 20 0 BCADHN CCn1ncc(CN[C@@H]2CN(C)C[C@H]2C)n1 ZINC000838977910 585083810 /nfs/dbraw/zinc/08/38/10/585083810.db2.gz URHITHLCMHWJCH-MWLCHTKSSA-N 0 3 223.324 0.338 20 0 BCADHN CCn1ncc(CNCCN2CC[C@H](C)C2)n1 ZINC000838988153 585084630 /nfs/dbraw/zinc/08/46/30/585084630.db2.gz GUCVIHCJDBJTFI-NSHDSACASA-N 0 3 237.351 0.729 20 0 BCADHN CCn1ncc(CNC[C@@H](C)N(C)C)n1 ZINC000838988205 585084849 /nfs/dbraw/zinc/08/48/49/585084849.db2.gz HKHOGTOXMLAQBG-SECBINFHSA-N 0 3 211.313 0.338 20 0 BCADHN CCN1CCN(C[C@@H](O)C2CC2)[C@@H](C)C1 ZINC000839004963 585086306 /nfs/dbraw/zinc/08/63/06/585086306.db2.gz BHRRUTGKGXAUID-CMPLNLGQSA-N 0 3 212.337 0.783 20 0 BCADHN O=CN1CCCN(CC2(O)CCCCC2)CC1 ZINC000839018219 585087709 /nfs/dbraw/zinc/08/77/09/585087709.db2.gz IBDBWMGNUOFXKO-UHFFFAOYSA-N 0 3 240.347 0.846 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@@H](O)C1CC1 ZINC000839030442 585088449 /nfs/dbraw/zinc/08/84/49/585088449.db2.gz WZGCWHPREZRNOY-GMTAPVOTSA-N 0 3 215.293 0.151 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Nc1cnsn1 ZINC000839126696 585093317 /nfs/dbraw/zinc/09/33/17/585093317.db2.gz XMBMBINAAKHEQI-LURJTMIESA-N 0 3 229.309 0.610 20 0 BCADHN OC1([C@@H]2CCCCN2CC2OCCO2)CC1 ZINC000839143132 585094877 /nfs/dbraw/zinc/09/48/77/585094877.db2.gz MVWQSERWFNWDFR-JTQLQIEISA-N 0 3 227.304 0.739 20 0 BCADHN CN(CCC1(O)CCC1)[C@@H]1CCCCNC1=O ZINC000839482082 585105130 /nfs/dbraw/zinc/10/51/30/585105130.db2.gz WBSLQDFUOOAYON-LLVKDONJSA-N 0 3 240.347 0.892 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2nccn2C)C1 ZINC000741261407 585111372 /nfs/dbraw/zinc/11/13/72/585111372.db2.gz MNWOWNYYVFVLRE-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN CNC(=S)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000741493619 585114842 /nfs/dbraw/zinc/11/48/42/585114842.db2.gz SPNSVOYRIIRTKP-BDAKNGLRSA-N 0 3 215.366 0.905 20 0 BCADHN Cc1ccncc1CN[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886245124 585116442 /nfs/dbraw/zinc/11/64/42/585116442.db2.gz LIODLJYVBAKIRL-CNDDSTCGSA-N 0 3 222.288 0.364 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2=COCCO2)CCN1C ZINC000741721656 585116562 /nfs/dbraw/zinc/11/65/62/585116562.db2.gz LOZBNXMLBRGPQW-ZJUUUORDSA-N 0 3 240.303 0.474 20 0 BCADHN CCOCCCN(CC)CC(=O)NC ZINC000741788080 585118987 /nfs/dbraw/zinc/11/89/87/585118987.db2.gz YBRDYOXTEBHRLV-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN NC(=O)[C@@H]1CCCN1C[C@H]1C[C@]12CCOC2 ZINC000886298674 585120000 /nfs/dbraw/zinc/12/00/00/585120000.db2.gz GUHGHCYVRQODFM-SCVCMEIPSA-N 0 3 224.304 0.363 20 0 BCADHN CCNC(=S)N1CC[C@H](N2CC=CC2)C1 ZINC000741865499 585120394 /nfs/dbraw/zinc/12/03/94/585120394.db2.gz QQVYJLYQYBKIDB-JTQLQIEISA-N 0 3 225.361 0.827 20 0 BCADHN C[C@@H](NC(=S)NCCN(C)C)[C@H]1CCOC1 ZINC000741862649 585120501 /nfs/dbraw/zinc/12/05/01/585120501.db2.gz SFFCJFQZTJWYIP-ZJUUUORDSA-N 0 3 245.392 0.437 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1nonc1C ZINC000741950379 585121169 /nfs/dbraw/zinc/12/11/69/585121169.db2.gz JGESLRXBJGSUPP-UHFFFAOYSA-N 0 3 240.307 0.792 20 0 BCADHN COCCNC(=S)NCCN1CCC[C@@H]1C ZINC000743016436 585132826 /nfs/dbraw/zinc/13/28/26/585132826.db2.gz NCWCWXQXTRKIPH-JTQLQIEISA-N 0 3 245.392 0.581 20 0 BCADHN CN(CCCCCCCO)CC(N)=O ZINC000743840210 585140555 /nfs/dbraw/zinc/14/05/55/585140555.db2.gz CGOOSHHVEPFYFX-UHFFFAOYSA-N 0 3 202.298 0.346 20 0 BCADHN NS(=O)(=O)CCN1CCC[C@@H]2CCC[C@@H]21 ZINC000743851703 585140832 /nfs/dbraw/zinc/14/08/32/585140832.db2.gz DIARYNHBPXAAHF-UWVGGRQHSA-N 0 3 232.349 0.539 20 0 BCADHN COCCN(CCC(=O)OC)CC1(C)COC1 ZINC000743848034 585140960 /nfs/dbraw/zinc/14/09/60/585140960.db2.gz MHRGGXPGNDAOFG-UHFFFAOYSA-N 0 3 245.319 0.534 20 0 BCADHN CN1CCC(NC(=O)C2=COCC2)CC1 ZINC000744343385 585149074 /nfs/dbraw/zinc/14/90/74/585149074.db2.gz KTBJJRLBTFXFLJ-UHFFFAOYSA-N 0 3 210.277 0.501 20 0 BCADHN CO[C@H](C)C(=O)NCCN1CCC[C@H]1C ZINC000744347792 585149398 /nfs/dbraw/zinc/14/93/98/585149398.db2.gz CPRKJFPTTWSOLP-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CC(=O)N[C@H](C)C(=O)NCCN1CCC[C@@H]1C ZINC000744347831 585149462 /nfs/dbraw/zinc/14/94/62/585149462.db2.gz DAECYZURDPNWJL-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CON(C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000746015853 585162575 /nfs/dbraw/zinc/16/25/75/585162575.db2.gz VLMAQMWGDIWJTM-RKDXNWHRSA-N 0 3 200.282 0.879 20 0 BCADHN CNCC(=O)NCCCOc1ccccc1F ZINC000746315698 585167456 /nfs/dbraw/zinc/16/74/56/585167456.db2.gz HGYIPQZJCYOKBW-UHFFFAOYSA-N 0 3 240.278 0.930 20 0 BCADHN CN(C)CCNC(=S)NCCOC(C)(C)C ZINC000746687989 585172233 /nfs/dbraw/zinc/17/22/33/585172233.db2.gz YVECQMLEZCWSQB-UHFFFAOYSA-N 0 3 247.408 0.827 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886832887 585180799 /nfs/dbraw/zinc/18/07/99/585180799.db2.gz OSIZJIKDTXGBOD-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C)CCN(C)C(=O)NCCOC1CCC1 ZINC000747583642 585180949 /nfs/dbraw/zinc/18/09/49/585180949.db2.gz MUBGKMYMFJLVJD-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN Cc1cc(OCC(=O)N(C)CCN(C)C)no1 ZINC000748406246 585192429 /nfs/dbraw/zinc/19/24/29/585192429.db2.gz KTSFAHWLRWINKN-UHFFFAOYSA-N 0 3 241.291 0.382 20 0 BCADHN CC[C@H](C)CN(CC)CCS(N)(=O)=O ZINC000748828946 585197025 /nfs/dbraw/zinc/19/70/25/585197025.db2.gz QNFIWHRQODKIEP-VIFPVBQESA-N 0 3 222.354 0.643 20 0 BCADHN CC1(CN2CCN(CCCCO)CC2)COC1 ZINC000750053096 585209937 /nfs/dbraw/zinc/20/99/37/585209937.db2.gz GGNHSXGJIVADGW-UHFFFAOYSA-N 0 3 242.363 0.413 20 0 BCADHN CCN(CCCCCCO)CC(=O)N(C)C ZINC000750184206 585212059 /nfs/dbraw/zinc/21/20/59/585212059.db2.gz FVAXCROMMGHIND-UHFFFAOYSA-N 0 3 230.352 0.949 20 0 BCADHN CCOCCNC(=S)N[C@@H]1CCN(C)C1 ZINC000751001366 585223367 /nfs/dbraw/zinc/22/33/67/585223367.db2.gz STWLKWFXCCVXII-SECBINFHSA-N 0 3 231.365 0.191 20 0 BCADHN CCNC(=S)NCCN1CCC(OC)CC1 ZINC000751036969 585223869 /nfs/dbraw/zinc/22/38/69/585223869.db2.gz BJZHMBMLCVQBEA-UHFFFAOYSA-N 0 3 245.392 0.581 20 0 BCADHN Cn1cncc1CN1CCC(c2nc[nH]n2)CC1 ZINC000751500510 585231369 /nfs/dbraw/zinc/23/13/69/585231369.db2.gz VUWORXDTIVWHLZ-UHFFFAOYSA-N 0 3 246.318 0.918 20 0 BCADHN CO[C@@H]1CCN(C(=S)NCCN(C)C)C1 ZINC000751907217 585239003 /nfs/dbraw/zinc/23/90/03/585239003.db2.gz PQDUNJBTUMFXIH-SECBINFHSA-N 0 3 231.365 0.143 20 0 BCADHN CO[C@@H]1CCN(CCOC[C@H]2CCCO2)C1 ZINC000752088700 585241816 /nfs/dbraw/zinc/24/18/16/585241816.db2.gz NWFOKBRXAJNCPW-VXGBXAGGSA-N 0 3 229.320 0.903 20 0 BCADHN O=C1NC[C@H]2CN(CCCCCCO)CCN12 ZINC000752096829 585242482 /nfs/dbraw/zinc/24/24/82/585242482.db2.gz ZOEWWEXALVQSQB-NSHDSACASA-N 0 3 241.335 0.249 20 0 BCADHN CC(=O)CCN1CCC2(CNC(=O)C2)CC1 ZINC000752302631 585244715 /nfs/dbraw/zinc/24/47/15/585244715.db2.gz NJTGGLQOCWUNJU-UHFFFAOYSA-N 0 3 224.304 0.568 20 0 BCADHN C[C@@H](CC(=O)NC[C@](C)(O)CN(C)C)C1CC1 ZINC000752483094 585246729 /nfs/dbraw/zinc/24/67/29/585246729.db2.gz WNKONQAXHQUOEJ-GWCFXTLKSA-N 0 3 242.363 0.851 20 0 BCADHN CSCCNC(=S)NC[C@H](C)N(C)C ZINC000752735336 585249296 /nfs/dbraw/zinc/24/92/96/585249296.db2.gz NJKVUYJCILDMCV-QMMMGPOBSA-N 0 3 235.422 0.764 20 0 BCADHN CN1CCC(NC(=S)N[C@H]2CCOC2)CC1 ZINC000752782264 585250179 /nfs/dbraw/zinc/25/01/79/585250179.db2.gz WTQYKSFRWSBNGW-JTQLQIEISA-N 0 3 243.376 0.334 20 0 BCADHN CCON(C)C(=O)NCCCN(C)CCOC ZINC000753380165 585257821 /nfs/dbraw/zinc/25/78/21/585257821.db2.gz RXQZINMVTRVZTO-UHFFFAOYSA-N 0 3 247.339 0.548 20 0 BCADHN CCON(C)C(=O)NC[C@@H]1CCCN1C ZINC000753407150 585258415 /nfs/dbraw/zinc/25/84/15/585258415.db2.gz RTMJFUATRBZLIG-VIFPVBQESA-N 0 3 215.297 0.674 20 0 BCADHN CON(C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000753587643 585263151 /nfs/dbraw/zinc/26/31/51/585263151.db2.gz KBMFKWAMTLZRRY-WCBMZHEXSA-N 0 3 227.308 0.672 20 0 BCADHN COC(=O)[C@H]1CCN(CC[C@@H]2CCOC2=O)C1 ZINC000753843010 585270757 /nfs/dbraw/zinc/27/07/57/585270757.db2.gz AMGLAZQKQLODKW-ZJUUUORDSA-N 0 3 241.287 0.435 20 0 BCADHN CNC(=S)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000753964029 585273686 /nfs/dbraw/zinc/27/36/86/585273686.db2.gz RFEHXDODVSJMLN-SFYZADRCSA-N 0 3 213.350 0.706 20 0 BCADHN COC(=O)C[C@@H](NCC(=O)NC(C)C)C1CC1 ZINC000754519609 585285436 /nfs/dbraw/zinc/28/54/36/585285436.db2.gz OLGNSBUPLLSFSH-SNVBAGLBSA-N 0 3 242.319 0.442 20 0 BCADHN CCC1(C(=O)NC2CCN(C)CC2)COC1 ZINC000755067253 585294069 /nfs/dbraw/zinc/29/40/69/585294069.db2.gz YPQZLGLWHKMXDB-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)C2=COCCO2)C1 ZINC000755589909 585302099 /nfs/dbraw/zinc/30/20/99/585302099.db2.gz OIZJHRGWLGUNEK-NXEZZACHSA-N 0 3 240.303 0.331 20 0 BCADHN CO[C@@H](C)CC(=O)N1CCC[C@H]1CN(C)C ZINC000756932761 585325162 /nfs/dbraw/zinc/32/51/62/585325162.db2.gz FVQMAGAYISJFEZ-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1cc[n+]([O-])cc1 ZINC000756929334 585325173 /nfs/dbraw/zinc/32/51/73/585325173.db2.gz NDTZAZJPUJYGPD-LBPRGKRZSA-N 0 3 249.314 0.486 20 0 BCADHN CCN(CC(=O)NC)C(=O)[C@@H](C(C)C)N(C)C ZINC000756994183 585326074 /nfs/dbraw/zinc/32/60/74/585326074.db2.gz LXGZRWATNRROIO-LLVKDONJSA-N 0 3 243.351 0.167 20 0 BCADHN Cn1ncc2c1CCCN(C[C@@H](O)C1CC1)C2 ZINC000839624492 585332645 /nfs/dbraw/zinc/33/26/45/585332645.db2.gz HIBMWMKHAZEAGR-CYBMUJFWSA-N 0 3 235.331 0.939 20 0 BCADHN COC(=O)[C@@]1(C)CCCN(CC[S@@](C)=O)C1 ZINC000839665548 585334671 /nfs/dbraw/zinc/33/46/71/585334671.db2.gz IBEZPIGDSNDXOA-MEDUHNTESA-N 0 3 247.360 0.640 20 0 BCADHN NS(=O)(=O)CCN1CC[C@H](C2CCC2)C1 ZINC000839675275 585336867 /nfs/dbraw/zinc/33/68/67/585336867.db2.gz GWNOXOLHDMYQDG-JTQLQIEISA-N 0 3 232.349 0.397 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CC)C(OC)OC ZINC000839741012 585339633 /nfs/dbraw/zinc/33/96/33/585339633.db2.gz XQRVSHVEGAFWRU-JTQLQIEISA-N 0 3 246.351 0.842 20 0 BCADHN CC[C@@H](NC(=O)[C@H](CC)N(C)C)C(OC)OC ZINC000839747077 585340033 /nfs/dbraw/zinc/34/00/33/585340033.db2.gz YZBTTWZESFLMHN-ZJUUUORDSA-N 0 3 246.351 0.840 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1nccn1C ZINC000757722112 585344784 /nfs/dbraw/zinc/34/47/84/585344784.db2.gz HGWHKTHQXHVLJX-KOLCDFICSA-N 0 3 248.330 0.633 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ncccn1 ZINC000758202610 585351709 /nfs/dbraw/zinc/35/17/09/585351709.db2.gz PWUKWYRRSPOHQL-ONGXEEELSA-N 0 3 246.314 0.689 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2cnco2)C1 ZINC000759231319 585365944 /nfs/dbraw/zinc/36/59/44/585365944.db2.gz LSADTGPYPVUVBL-VIFPVBQESA-N 0 3 223.276 0.746 20 0 BCADHN CC(C)COCCOC(=O)C1CCN(C)C1=O ZINC000759711320 585379180 /nfs/dbraw/zinc/37/91/80/585379180.db2.gz MCKJWLVASROLNK-SNVBAGLBSA-N 0 3 243.303 0.681 20 0 BCADHN COC(CN(CCCO)C[C@@H]1CCCO1)OC ZINC000759868927 585381740 /nfs/dbraw/zinc/38/17/40/585381740.db2.gz GXENJBFSLMJDQW-NSHDSACASA-N 0 3 247.335 0.469 20 0 BCADHN Cc1nonc1CN(C)CCN1CCCC1 ZINC000760834251 585398716 /nfs/dbraw/zinc/39/87/16/585398716.db2.gz WEHDARUNLZKHCB-UHFFFAOYSA-N 0 3 224.308 0.906 20 0 BCADHN COC[C@H](C)CN(C)[C@H]1CCCCNC1=O ZINC000760842883 585399351 /nfs/dbraw/zinc/39/93/51/585399351.db2.gz KXQAKUCPKNOHOC-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H]1CN(CCN2CCCC2=O)CCN1C ZINC000761074324 585405189 /nfs/dbraw/zinc/40/51/89/585405189.db2.gz BNZIFBAUCLZOPX-LLVKDONJSA-N 0 3 225.336 0.245 20 0 BCADHN C[C@@H]1CN(CCOC[C@@H]2CCCO2)CCN1C ZINC000761073567 585405688 /nfs/dbraw/zinc/40/56/88/585405688.db2.gz WRWFULNOZWWJGW-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H]1CN(CCC(=O)N(C)C)CCN1C ZINC000761077261 585405770 /nfs/dbraw/zinc/40/57/70/585405770.db2.gz NVJRDCRFTUFYTF-JTQLQIEISA-N 0 3 213.325 0.101 20 0 BCADHN CCS(=O)(=O)NCCCN1CC[C@H]2C[C@H]21 ZINC000761087159 585407845 /nfs/dbraw/zinc/40/78/45/585407845.db2.gz OZSPKKPWPAGGMZ-VHSXEESVSA-N 0 3 232.349 0.410 20 0 BCADHN O=C1CNC(=O)N1CCCN1CC[C@H]2C[C@H]21 ZINC000761100352 585409063 /nfs/dbraw/zinc/40/90/63/585409063.db2.gz YZWGBJASRYIPTP-DTWKUNHWSA-N 0 3 223.276 0.023 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2ccnnc2)C1 ZINC000761816172 585419117 /nfs/dbraw/zinc/41/91/17/585419117.db2.gz XOMKKVHVEAFJLB-SNVBAGLBSA-N 0 3 234.303 0.548 20 0 BCADHN CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1O ZINC000762209850 585429119 /nfs/dbraw/zinc/42/91/19/585429119.db2.gz YNMRKFPQZVTLQK-MNOVXSKESA-N 0 3 240.347 0.700 20 0 BCADHN CN(C)CCNC(=O)NCc1cccc(F)n1 ZINC000762427308 585431892 /nfs/dbraw/zinc/43/18/92/585431892.db2.gz TYLWTTPKQPOTGX-UHFFFAOYSA-N 0 3 240.282 0.582 20 0 BCADHN CN1CC[C@](O)(CNC(=O)C=C2CCC2)C1 ZINC000762720852 585436337 /nfs/dbraw/zinc/43/63/37/585436337.db2.gz DHVJEECPRULFGB-LBPRGKRZSA-N 0 3 224.304 0.280 20 0 BCADHN CN(C)C1(C(=O)N2CC(n3ccnc3)C2)CCC1 ZINC000763047461 585442349 /nfs/dbraw/zinc/44/23/49/585442349.db2.gz JHRCBFBBSLOFDN-UHFFFAOYSA-N 0 3 248.330 0.751 20 0 BCADHN COC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000763053686 585442448 /nfs/dbraw/zinc/44/24/48/585442448.db2.gz MMTQMYWKVGKAFS-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C)C1(C(=O)NCc2cocn2)CCC1 ZINC000763045607 585442542 /nfs/dbraw/zinc/44/25/42/585442542.db2.gz VKDMPXYORQVNEC-UHFFFAOYSA-N 0 3 223.276 0.775 20 0 BCADHN CC(C)N(C(=O)CN[C@H](CO)C1CC1)C(C)C ZINC000763067304 585442686 /nfs/dbraw/zinc/44/26/86/585442686.db2.gz KMLQTYMYKZBGKF-GFCCVEGCSA-N 0 3 242.363 0.992 20 0 BCADHN CC(C)N(C(=O)CN[C@@H](CO)C1CC1)C(C)C ZINC000763067305 585442701 /nfs/dbraw/zinc/44/27/01/585442701.db2.gz KMLQTYMYKZBGKF-LBPRGKRZSA-N 0 3 242.363 0.992 20 0 BCADHN O=C(CN[C@@H](CO)C1CC1)N1CCCCCC1 ZINC000763073185 585443101 /nfs/dbraw/zinc/44/31/01/585443101.db2.gz WIBNUCPSIMCGBU-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN CN(C)CCn1ccc(NCc2cn[nH]c2)n1 ZINC000763445253 585448490 /nfs/dbraw/zinc/44/84/90/585448490.db2.gz DERQZEUZNGOLPG-UHFFFAOYSA-N 0 3 234.307 0.780 20 0 BCADHN C[C@@H](O)CCN(C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763689175 585451708 /nfs/dbraw/zinc/45/17/08/585451708.db2.gz VJHWOJDVVWHKOH-NXEZZACHSA-N 0 3 227.304 0.785 20 0 BCADHN O=C1O[C@H](CN2CCC[C@H]2CO)CC12CC2 ZINC000763677050 585452308 /nfs/dbraw/zinc/45/23/08/585452308.db2.gz XGXVQDRTWCESTG-UWVGGRQHSA-N 0 3 225.288 0.539 20 0 BCADHN CN(C[C@@H]1CC2(CC2)C(=O)O1)[C@H]1CCOC1 ZINC000763690426 585452360 /nfs/dbraw/zinc/45/23/60/585452360.db2.gz KUKZQOLFNQKDSV-UWVGGRQHSA-N 0 3 225.288 0.803 20 0 BCADHN O=C1O[C@H](CN(CCCO)C2CC2)CC12CC2 ZINC000763684830 585452586 /nfs/dbraw/zinc/45/25/86/585452586.db2.gz CUMJQYWFSDWJLU-NSHDSACASA-N 0 3 239.315 0.929 20 0 BCADHN CCN(CCCO)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763693448 585452689 /nfs/dbraw/zinc/45/26/89/585452689.db2.gz BOVICBQETWHNCG-JTQLQIEISA-N 0 3 227.304 0.786 20 0 BCADHN C[C@H]1CN(C[C@@H]2CC3(CC3)C(=O)O2)CCN1C ZINC000763743221 585453479 /nfs/dbraw/zinc/45/34/79/585453479.db2.gz ZDNLCQRFRGJISI-QWRGUYRKSA-N 0 3 238.331 0.718 20 0 BCADHN CC(C)OC[C@H](CO)N(C)CCN1CCCC1 ZINC000763878501 585456033 /nfs/dbraw/zinc/45/60/33/585456033.db2.gz LPDGSMDTGYAAQI-ZDUSSCGKSA-N 0 3 244.379 0.800 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@H](O)C(C)(C)C ZINC000765044276 585480219 /nfs/dbraw/zinc/48/02/19/585480219.db2.gz VLKXIRNKCBWKRS-ZJUUUORDSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H](O)C(C)(C)C)CCN1C ZINC000765104034 585481246 /nfs/dbraw/zinc/48/12/46/585481246.db2.gz YKBRBOJTGFQBSW-GMTAPVOTSA-N 0 3 242.363 0.992 20 0 BCADHN CN(C(=O)[C@@H](O)C(C)(C)C)[C@@H]1CCCN(C)C1 ZINC000765103100 585481367 /nfs/dbraw/zinc/48/13/67/585481367.db2.gz RSZZULXXBWWRDK-GHMZBOCLSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H]1CCCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000765958327 585494654 /nfs/dbraw/zinc/49/46/54/585494654.db2.gz KQDQHFJJMFDIMV-VHSXEESVSA-N 0 3 224.304 0.914 20 0 BCADHN CCc1cc(C)nc(NC[C@H](O)CN(C)C)n1 ZINC000766062679 585497357 /nfs/dbraw/zinc/49/73/57/585497357.db2.gz FUEJUDIJCUEUCD-NSHDSACASA-N 0 3 238.335 0.682 20 0 BCADHN COCCOCCN(C)CCN1CCOC1=O ZINC000766123555 585497729 /nfs/dbraw/zinc/49/77/29/585497729.db2.gz YFMVTDJEJTWFNQ-UHFFFAOYSA-N 0 3 246.307 0.033 20 0 BCADHN COC[C@H](NC[C@H](O)c1cnn(C)c1)C1CC1 ZINC000766186931 585498678 /nfs/dbraw/zinc/49/86/78/585498678.db2.gz YXPZPUMDEHEMPV-RYUDHWBXSA-N 0 3 239.319 0.468 20 0 BCADHN COC[C@H](NC[C@@H](O)c1cnn(C)c1)C1CC1 ZINC000766186930 585498752 /nfs/dbraw/zinc/49/87/52/585498752.db2.gz YXPZPUMDEHEMPV-NWDGAFQWSA-N 0 3 239.319 0.468 20 0 BCADHN C[C@@H]1CN(CCn2ccnc2)CCN1C ZINC000766249781 585499957 /nfs/dbraw/zinc/49/99/57/585499957.db2.gz QHXILOYPJBZTMO-LLVKDONJSA-N 0 3 208.309 0.519 20 0 BCADHN Cc1nc(C(=O)NC[C@@H](C)N2CCCC2)no1 ZINC000766496824 585503224 /nfs/dbraw/zinc/50/32/24/585503224.db2.gz UTGQMNAEFJJGRH-MRVPVSSYSA-N 0 3 238.291 0.592 20 0 BCADHN O=C1NCCC[C@H]1N1CCC(n2cccn2)CC1 ZINC000766884651 585509068 /nfs/dbraw/zinc/50/90/68/585509068.db2.gz CYGGVSYHZXWHHC-GFCCVEGCSA-N 0 3 248.330 0.799 20 0 BCADHN NC(=O)C1CCN(CCC(=O)C2CC2)CC1 ZINC000767363241 585517742 /nfs/dbraw/zinc/51/77/42/585517742.db2.gz VPKCUQQYQLGWDO-UHFFFAOYSA-N 0 3 224.304 0.553 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)CCC(=O)C1CC1 ZINC000767414253 585519331 /nfs/dbraw/zinc/51/93/31/585519331.db2.gz JNNAAHSCNVTWGY-VIFPVBQESA-N 0 3 226.320 0.670 20 0 BCADHN CSC[C@@H]1CCCN1CCS(N)(=O)=O ZINC000767904526 585528184 /nfs/dbraw/zinc/52/81/84/585528184.db2.gz AOEKJASXWVIWLW-QMMMGPOBSA-N 0 3 238.378 0.102 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)C(C)(C)C(N)=O ZINC000767950928 585528698 /nfs/dbraw/zinc/52/86/98/585528698.db2.gz WRSDCXQTPQHIKW-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN C[C@@H]1CN(CCNC(=O)OC(C)(C)C)C[C@H]1O ZINC000768768323 585542709 /nfs/dbraw/zinc/54/27/09/585542709.db2.gz JGHHDHGCNMJXPK-NXEZZACHSA-N 0 3 244.335 0.824 20 0 BCADHN C[C@@H]1C[C@H](NC(=S)NCCN(C)C)CCO1 ZINC000769558370 585559609 /nfs/dbraw/zinc/55/96/09/585559609.db2.gz RMHCBVQGVLNZQS-NXEZZACHSA-N 0 3 245.392 0.580 20 0 BCADHN COC(CN(CCCO)C[C@@H]1C[C@H]1C)OC ZINC000859244771 589023338 /nfs/dbraw/zinc/02/33/38/589023338.db2.gz OMXDLBDNOSZWLM-MNOVXSKESA-N 0 3 231.336 0.946 20 0 BCADHN CCC/C=C/C(=O)NCCN(CC)CCO ZINC000769638235 585560913 /nfs/dbraw/zinc/56/09/13/585560913.db2.gz CSDRFWRDYAVLNN-VOTSOKGWSA-N 0 3 228.336 0.773 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)CC2COC2)C1 ZINC000769700880 585562070 /nfs/dbraw/zinc/56/20/70/585562070.db2.gz JHXHYMOOKXVJCG-LLVKDONJSA-N 0 3 226.320 0.576 20 0 BCADHN O=C(OCCN1CCCCC1)C1(O)CCC1 ZINC000770345388 585573020 /nfs/dbraw/zinc/57/30/20/585573020.db2.gz DMOMKDHHQWCNPC-UHFFFAOYSA-N 0 3 227.304 0.931 20 0 BCADHN CCOCCN[C@@]1(CC(=O)OC)CCCOC1 ZINC000770701140 585580384 /nfs/dbraw/zinc/58/03/84/585580384.db2.gz JZGGHPIUJZDDGL-GFCCVEGCSA-N 0 3 245.319 0.725 20 0 BCADHN CC[C@@H](C(=O)N[C@H](CO)C1CC1)N(CC)CC ZINC000771037857 585588219 /nfs/dbraw/zinc/58/82/19/585588219.db2.gz IERCZAVGDOEWHR-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C1=CCCCO1 ZINC000805427539 585592347 /nfs/dbraw/zinc/59/23/47/585592347.db2.gz FGAQFPRGGJCGQE-VIFPVBQESA-N 0 3 212.293 0.747 20 0 BCADHN C[C@@H]1[C@@H](C)N(CC[C@@H]2CCOC2=O)CCN1C ZINC000771462678 585594620 /nfs/dbraw/zinc/59/46/20/585594620.db2.gz WFGUEOYLHCMQEQ-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CN(CCc1cnccn1)CC[C@@H]1CCOC1=O ZINC000771461401 585594732 /nfs/dbraw/zinc/59/47/32/585594732.db2.gz RCKNIQZXOLAGJZ-LLVKDONJSA-N 0 3 249.314 0.904 20 0 BCADHN CN(C)C1(C(=O)NC[C@@H](O)C2CC2)CCC1 ZINC000771563471 585596239 /nfs/dbraw/zinc/59/62/39/585596239.db2.gz DAVAOPKWZUTKLQ-SNVBAGLBSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@H](CCO)CNC(=O)C1(N(C)C)CCC1 ZINC000771652951 585598487 /nfs/dbraw/zinc/59/84/87/585598487.db2.gz MBQDPJYLFSLUSV-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CCc1nc(CN2CCN(C)[C@H](C)C2)n[nH]1 ZINC000771763081 585599987 /nfs/dbraw/zinc/59/99/87/585599987.db2.gz BLACYGJOTAAHOX-SECBINFHSA-N 0 3 223.324 0.503 20 0 BCADHN CC(C)N1CCC[C@H](N[C@@H](CO)C2CC2)C1=O ZINC000771803034 585600248 /nfs/dbraw/zinc/60/02/48/585600248.db2.gz NFFYMXYDFFDSDR-RYUDHWBXSA-N 0 3 240.347 0.746 20 0 BCADHN CC(C)CCNC(=O)[C@H](C)N[C@@H](CO)C1CC1 ZINC000771805971 585600459 /nfs/dbraw/zinc/60/04/59/585600459.db2.gz HKCFHNGHGCXPTK-JQWIXIFHSA-N 0 3 242.363 0.898 20 0 BCADHN CCN(CC)CCOC(=O)C(C)(C)O ZINC000772070338 585607962 /nfs/dbraw/zinc/60/79/62/585607962.db2.gz RCXPHLCQYNDZOB-UHFFFAOYSA-N 0 3 203.282 0.642 20 0 BCADHN CCN(CC)CCOC(=O)Cc1cnn(C)c1 ZINC000772072827 585607991 /nfs/dbraw/zinc/60/79/91/585607991.db2.gz XFYPOQALOGIRTF-UHFFFAOYSA-N 0 3 239.319 0.848 20 0 BCADHN CCN(CC)CCOC(=O)c1cncnc1 ZINC000772319234 585612572 /nfs/dbraw/zinc/61/25/72/585612572.db2.gz FTXIHJMAOJORQK-UHFFFAOYSA-N 0 3 223.276 0.975 20 0 BCADHN CCOCCOC(=O)C1CCN(C)C1=O ZINC000772518632 585617193 /nfs/dbraw/zinc/61/71/93/585617193.db2.gz HQLJCCMMSCFWKY-QMMMGPOBSA-N 0 3 215.249 0.044 20 0 BCADHN CCC(=O)CCCOC(=O)C1CCN(C)C1=O ZINC000772519590 585617501 /nfs/dbraw/zinc/61/75/01/585617501.db2.gz LFHQDYWZMRMHFB-JTQLQIEISA-N 0 3 241.287 0.767 20 0 BCADHN CO[C@H](C)COC(=O)C1CCN(C)C1=O ZINC000772528645 585617638 /nfs/dbraw/zinc/61/76/38/585617638.db2.gz FCUPTEBOUZMOFD-HTQZYQBOSA-N 0 3 215.249 0.043 20 0 BCADHN CCSCCOC(=O)C1CCN(C)C1=O ZINC000772531908 585617754 /nfs/dbraw/zinc/61/77/54/585617754.db2.gz KOCFCNLFQGVWAS-MRVPVSSYSA-N 0 3 231.317 0.761 20 0 BCADHN CN(CC1(O)CCCCC1)[C@H]1CCN(C)C1=O ZINC000772779341 585623529 /nfs/dbraw/zinc/62/35/29/585623529.db2.gz YLXWQEQKFPEIKD-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)(C)CNC(=O)CN[C@@H](CO)C1CC1 ZINC000859250389 589023855 /nfs/dbraw/zinc/02/38/55/589023855.db2.gz JJPAPRPGDFGFPN-JTQLQIEISA-N 0 3 228.336 0.509 20 0 BCADHN CN(C)CCN(C(=O)c1cc[n+]([O-])cc1)C1CC1 ZINC000773113669 585631700 /nfs/dbraw/zinc/63/17/00/585631700.db2.gz UNUBSFQUWDMNGI-UHFFFAOYSA-N 0 3 249.314 0.486 20 0 BCADHN CN1CCC(ONC(=O)c2ccncc2)CC1 ZINC000773545578 585640129 /nfs/dbraw/zinc/64/01/29/585640129.db2.gz JVCACCDMZRGSAY-UHFFFAOYSA-N 0 3 235.287 0.837 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)NOC1CCN(C)CC1 ZINC000773552488 585640457 /nfs/dbraw/zinc/64/04/57/585640457.db2.gz QFHONRZYROOMEL-PSASIEDQSA-N 0 3 212.293 0.784 20 0 BCADHN CCC(=O)CCN1CCC(CO)(OC)CC1 ZINC000773946846 585646993 /nfs/dbraw/zinc/64/69/93/585646993.db2.gz ZJGMYZVKOGLZTG-UHFFFAOYSA-N 0 3 229.320 0.829 20 0 BCADHN C[C@@H](OC(=O)C1CCN(C)C1=O)C1CC1 ZINC000774004422 585648356 /nfs/dbraw/zinc/64/83/56/585648356.db2.gz DDOFJUHINWYPMF-VXNVDRBHSA-N 0 3 211.261 0.806 20 0 BCADHN C[C@H](OC(=O)C1CCN(C)C1=O)C1CC1 ZINC000774004420 585648384 /nfs/dbraw/zinc/64/83/84/585648384.db2.gz DDOFJUHINWYPMF-IONNQARKSA-N 0 3 211.261 0.806 20 0 BCADHN C[C@@H](OC(=O)C1CCN(C)C1=O)c1cnccn1 ZINC000774038429 585648767 /nfs/dbraw/zinc/64/87/67/585648767.db2.gz QOAFRIWRBXNIGL-RKDXNWHRSA-N 0 3 249.270 0.559 20 0 BCADHN CCCOCCOC(=O)C1CCN(C)C1=O ZINC000774079994 585649969 /nfs/dbraw/zinc/64/99/69/585649969.db2.gz VNIVNAXRMTZLLZ-SECBINFHSA-N 0 3 229.276 0.435 20 0 BCADHN C[C@H](NCCn1ccccc1=O)c1ccnn1C ZINC000774143021 585651686 /nfs/dbraw/zinc/65/16/86/585651686.db2.gz QBDXSYWKAIRULN-NSHDSACASA-N 0 3 246.314 0.933 20 0 BCADHN CON(C)C(=O)CN1C[C@@H](C)C[C@@H]1C ZINC000774633780 585662309 /nfs/dbraw/zinc/66/23/09/585662309.db2.gz CAJNEKVTNFSQJW-IUCAKERBSA-N 0 3 200.282 0.737 20 0 BCADHN CCN(CC(=O)N(C)OC)CC1CC1 ZINC000774622526 585662372 /nfs/dbraw/zinc/66/23/72/585662372.db2.gz ZMWKPQSQTYQYEU-UHFFFAOYSA-N 0 3 200.282 0.738 20 0 BCADHN C=Cn1cc(CNC[C@@H](O)c2cnn(C)c2)cn1 ZINC000775004301 585670251 /nfs/dbraw/zinc/67/02/51/585670251.db2.gz BSRZACQRINRHRN-GFCCVEGCSA-N 0 3 247.302 0.540 20 0 BCADHN NC(=O)c1ccc(CNC[C@H]2CCC=CO2)cn1 ZINC000775037982 585670710 /nfs/dbraw/zinc/67/07/10/585670710.db2.gz RGYMJSSIOWKFAJ-LLVKDONJSA-N 0 3 247.298 0.963 20 0 BCADHN C[C@]1(N[C@@H]2CCCS(=O)(=O)C2)CCCOC1 ZINC000775400758 585677679 /nfs/dbraw/zinc/67/76/79/585677679.db2.gz LSFKWYWKFGXHJP-MNOVXSKESA-N 0 3 247.360 0.722 20 0 BCADHN C[C@@H]1CCOCCN1CCCN1CCOCC1 ZINC000775570819 585680156 /nfs/dbraw/zinc/68/01/56/585680156.db2.gz WBRODITUHWXYIP-CYBMUJFWSA-N 0 3 242.363 0.820 20 0 BCADHN C[C@H]1CCOCCN1Cc1ccn(C)c(=O)c1 ZINC000775571795 585680303 /nfs/dbraw/zinc/68/03/03/585680303.db2.gz ISJDWBAWRDOBFM-NSHDSACASA-N 0 3 236.315 0.996 20 0 BCADHN COc1ccc(CN2CC[C@@H](C(N)=O)C2)nc1 ZINC000775964167 585688665 /nfs/dbraw/zinc/68/86/65/585688665.db2.gz IENCOYYQTBZRLX-SECBINFHSA-N 0 3 235.287 0.397 20 0 BCADHN C[C@@H]1C[C@H](C)CN1CN1CC(=O)N(C)C1=O ZINC000776199764 585692728 /nfs/dbraw/zinc/69/27/28/585692728.db2.gz BNTPKEUXVHYRDN-DTWKUNHWSA-N 0 3 225.292 0.568 20 0 BCADHN CN1C(=O)CN(CN2CCC[C@H]2C2CC2)C1=O ZINC000776203413 585692940 /nfs/dbraw/zinc/69/29/40/585692940.db2.gz ZIQQMQMXYDXVQS-JTQLQIEISA-N 0 3 237.303 0.712 20 0 BCADHN CN1CCC2(CCN2C(=O)Cc2ccon2)CC1 ZINC000776506785 585699438 /nfs/dbraw/zinc/69/94/38/585699438.db2.gz LKZSYKVXUOXQNT-UHFFFAOYSA-N 0 3 249.314 0.914 20 0 BCADHN CN(Cn1cnnc1)[C@@H]1CCN(C2CC2)C1 ZINC000776758922 585704060 /nfs/dbraw/zinc/70/40/60/585704060.db2.gz DMXNTBKSLRGDMP-LLVKDONJSA-N 0 3 221.308 0.404 20 0 BCADHN COC(C)(C)[C@@H](C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000300992989 585706090 /nfs/dbraw/zinc/70/60/90/585706090.db2.gz LXBORKSIHZYQKG-NXEZZACHSA-N 0 3 249.376 0.967 20 0 BCADHN CC(=O)CCN1CC[C@H](n2cncn2)C1 ZINC000776873820 585706120 /nfs/dbraw/zinc/70/61/20/585706120.db2.gz NOPXRBAYWXUSMK-JTQLQIEISA-N 0 3 208.265 0.504 20 0 BCADHN CN(C)CCNC(=S)N[C@H]1C[C@H](O)C1(C)C ZINC000777479548 585713456 /nfs/dbraw/zinc/71/34/56/585713456.db2.gz FWWIFQZZXNTMPU-IUCAKERBSA-N 0 3 245.392 0.172 20 0 BCADHN CCCN(CC1OCCO1)CC(C)(C)O ZINC000777577940 585715444 /nfs/dbraw/zinc/71/54/44/585715444.db2.gz VKTFMQAYGRXUGT-UHFFFAOYSA-N 0 3 217.309 0.842 20 0 BCADHN COC[C@@H]1CCCN1CC1OCCO1 ZINC000777595737 585716479 /nfs/dbraw/zinc/71/64/79/585716479.db2.gz CAPRGSNGKHPETC-VIFPVBQESA-N 0 3 201.266 0.470 20 0 BCADHN CC[C@@H]1NC(=O)N([C@@H]2CCCN(C)C2)C1=O ZINC000777620733 585717284 /nfs/dbraw/zinc/71/72/84/585717284.db2.gz SGIPQOLAJRSWOY-BDAKNGLRSA-N 0 3 225.292 0.411 20 0 BCADHN C[C@H]1NC(=O)N([C@H]2CCN(C3CC3)C2)C1=O ZINC000777626108 585717551 /nfs/dbraw/zinc/71/75/51/585717551.db2.gz ODQJNRIGCZKYCI-APPZFPTMSA-N 0 3 223.276 0.163 20 0 BCADHN CCNC(=O)CN1CCN([C@H](C)C2CC2)CC1 ZINC000777659088 585718283 /nfs/dbraw/zinc/71/82/83/585718283.db2.gz IBCUJCXZNLVNMF-LLVKDONJSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@@]1(CCCO)CCCN1CC1OCCO1 ZINC000777715597 585719026 /nfs/dbraw/zinc/71/90/26/585719026.db2.gz CJRMXLVHIKQKLK-LBPRGKRZSA-N 0 3 229.320 0.986 20 0 BCADHN CCN1C[C@@H](C)N(CC2OCCO2)C[C@@H]1C ZINC000777715937 585719058 /nfs/dbraw/zinc/71/90/58/585719058.db2.gz FBAAWYWBOVHHOU-WDEREUQCSA-N 0 3 228.336 0.774 20 0 BCADHN CCCCN(CCCO)CC1OCCO1 ZINC000777726549 585719318 /nfs/dbraw/zinc/71/93/18/585719318.db2.gz MREKXLLTJCRBNS-UHFFFAOYSA-N 0 3 217.309 0.844 20 0 BCADHN CN(C)CCNC(=O)c1ccc2cccnn21 ZINC000777838997 585720947 /nfs/dbraw/zinc/72/09/47/585720947.db2.gz QZBPYQINIQMIHF-UHFFFAOYSA-N 0 3 232.287 0.626 20 0 BCADHN C[C@H]1C(=O)N(C)CCN1CCN1CCCC1 ZINC000778260934 585729635 /nfs/dbraw/zinc/72/96/35/585729635.db2.gz VXLQIVHWQQUSEQ-NSHDSACASA-N 0 3 225.336 0.245 20 0 BCADHN CON(C)C(=O)CN(C)[C@@]1(CO)CC[C@H](C)C1 ZINC000778427306 585734584 /nfs/dbraw/zinc/73/45/84/585734584.db2.gz LCSWZLYYWFCPLP-JQWIXIFHSA-N 0 3 244.335 0.489 20 0 BCADHN CN(C)C1(C(=O)N[C@H]2C[C@@H](O)C2(C)C)CCC1 ZINC000779231607 585747844 /nfs/dbraw/zinc/74/78/44/585747844.db2.gz NCVJMURYYIZKJQ-VHSXEESVSA-N 0 3 240.347 0.746 20 0 BCADHN CN(C)C1(C(=O)N[C@@H]2C[C@H](O)C2(C)C)CCC1 ZINC000779231610 585747915 /nfs/dbraw/zinc/74/79/15/585747915.db2.gz NCVJMURYYIZKJQ-ZJUUUORDSA-N 0 3 240.347 0.746 20 0 BCADHN Cn1nnnc1CCN[C@@H](CO)c1ccccc1 ZINC000779407559 585754032 /nfs/dbraw/zinc/75/40/32/585754032.db2.gz YXSUXDNWWVZJTH-NSHDSACASA-N 0 3 247.302 0.076 20 0 BCADHN CC[C@@H](CO)C(=O)NCCN(CC)C1CC1 ZINC000779623073 585757372 /nfs/dbraw/zinc/75/73/72/585757372.db2.gz IUEQIHQARWHLRP-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@@H](CO)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000779644224 585758121 /nfs/dbraw/zinc/75/81/21/585758121.db2.gz WSOJOUBCODWHEH-TUAOUCFPSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@@H](CO)C(=O)NCCN1CCC(C)CC1 ZINC000779735797 585760282 /nfs/dbraw/zinc/76/02/82/585760282.db2.gz AVZXXDXXCRENJU-LBPRGKRZSA-N 0 3 242.363 0.853 20 0 BCADHN CC[C@H](CO)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000779777895 585762271 /nfs/dbraw/zinc/76/22/71/585762271.db2.gz JBVOAKNSDVPZKW-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)[C@H](CC)CO ZINC000779777900 585762432 /nfs/dbraw/zinc/76/24/32/585762432.db2.gz JBVOAKNSDVPZKW-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](CO)C(=O)NC[C@@H]1CCCN1C ZINC000779780956 585762488 /nfs/dbraw/zinc/76/24/88/585762488.db2.gz ZMIDBPIYOPBDOD-UWVGGRQHSA-N 0 3 214.309 0.215 20 0 BCADHN CC[C@H](CO)C(=O)NC[C@H]1CCCN1C ZINC000779780954 585762682 /nfs/dbraw/zinc/76/26/82/585762682.db2.gz ZMIDBPIYOPBDOD-NXEZZACHSA-N 0 3 214.309 0.215 20 0 BCADHN CN(C)CCCOC(=O)C(=O)c1cccn1C ZINC000805650484 585772496 /nfs/dbraw/zinc/77/24/96/585772496.db2.gz INXWDZBQAPHQDP-UHFFFAOYSA-N 0 3 238.287 0.703 20 0 BCADHN CN(C)CCN(C)C(=O)NC[C@@H]1CCC=CO1 ZINC000780729445 585783944 /nfs/dbraw/zinc/78/39/44/585783944.db2.gz MHSSCECLCHMVOI-NSHDSACASA-N 0 3 241.335 0.882 20 0 BCADHN CCNC(=O)CC(=O)N[C@H](CN(C)C)C(C)C ZINC000780941097 585786844 /nfs/dbraw/zinc/78/68/44/585786844.db2.gz SORLGZWOGAXJIS-SNVBAGLBSA-N 0 3 243.351 0.215 20 0 BCADHN CCN(CC)CCOC(=O)CCCC(=O)NC ZINC000781232071 585793720 /nfs/dbraw/zinc/79/37/20/585793720.db2.gz PEEAUPOJBYJFIG-UHFFFAOYSA-N 0 3 244.335 0.788 20 0 BCADHN CC(C(=O)NC[C@@H]1CCC=CO1)S(C)(=O)=O ZINC000781488383 585797407 /nfs/dbraw/zinc/79/74/07/585797407.db2.gz NCUJTAIEDXFDJS-BDAKNGLRSA-N 0 3 247.316 0.228 20 0 BCADHN COC(CN1C[C@@H](N(C)C)[C@@H](SC)C1)OC ZINC000781905261 585805065 /nfs/dbraw/zinc/80/50/65/585805065.db2.gz XUJDRAIOGHXQSY-ZJUUUORDSA-N 0 3 248.392 0.583 20 0 BCADHN COC(CN1C[C@@H](C)N(C)C[C@H]1C)OC ZINC000781903792 585805160 /nfs/dbraw/zinc/80/51/60/585805160.db2.gz XPUGHVYCSHVFJM-NXEZZACHSA-N 0 3 216.325 0.630 20 0 BCADHN CNS(=O)(=O)C1CCN([C@H](C)C2CC2)CC1 ZINC000782180865 585809443 /nfs/dbraw/zinc/80/94/43/585809443.db2.gz CSQQAFDQLRNFOY-SECBINFHSA-N 0 3 246.376 0.799 20 0 BCADHN C[C@H](C1CC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000782187173 585811102 /nfs/dbraw/zinc/81/11/02/585811102.db2.gz MVLVHZDSQVJMGM-SCZZXKLOSA-N 0 3 209.293 0.494 20 0 BCADHN C[C@@H](C1CC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000782187174 585811282 /nfs/dbraw/zinc/81/12/82/585811282.db2.gz MVLVHZDSQVJMGM-WCBMZHEXSA-N 0 3 209.293 0.494 20 0 BCADHN CCNC(=O)CC(=O)OCCN1CCCCC1 ZINC000782349620 585816117 /nfs/dbraw/zinc/81/61/17/585816117.db2.gz OOTBDWZUXBDLIC-UHFFFAOYSA-N 0 3 242.319 0.542 20 0 BCADHN CN1CCC(NC(=S)NCCCCO)CC1 ZINC000782397955 585817495 /nfs/dbraw/zinc/81/74/95/585817495.db2.gz UVXFDLSDWBXTAP-UHFFFAOYSA-N 0 3 245.392 0.317 20 0 BCADHN OC[C@]12C[C@H]1CN(CCOC1CCOCC1)C2 ZINC000859269630 589025851 /nfs/dbraw/zinc/02/58/51/589025851.db2.gz FABDLPBNCOCEEO-WCQYABFASA-N 0 3 241.331 0.496 20 0 BCADHN COC(=O)/C(C)=C\CN(C)CC1(CO)CC1 ZINC000782604276 585821795 /nfs/dbraw/zinc/82/17/95/585821795.db2.gz XUILHSKJJWJAAK-WMZJFQQLSA-N 0 3 227.304 0.810 20 0 BCADHN CC(C)COC[C@H](O)CN1C[C@@H]2C[C@]2(CO)C1 ZINC000782614746 585822307 /nfs/dbraw/zinc/82/23/07/585822307.db2.gz DONGVPCKJQMEJC-YNEHKIRRSA-N 0 3 243.347 0.334 20 0 BCADHN Cc1nn(C)c(C)c1CN1C[C@H]2C[C@@]2(CO)C1 ZINC000782631187 585823376 /nfs/dbraw/zinc/82/33/76/585823376.db2.gz FLRLYTNFDRVPGU-YPMHNXCESA-N 0 3 235.331 0.851 20 0 BCADHN C[C@@H]1OCC[C@@]1(C)NC(=S)NCCN(C)C ZINC000783766315 585842617 /nfs/dbraw/zinc/84/26/17/585842617.db2.gz WOOBZMMLVKJMEF-GXSJLCMTSA-N 0 3 245.392 0.580 20 0 BCADHN CC(C)[C@@H](F)C(=O)NC[C@@](C)(O)CN(C)C ZINC000784449549 585859929 /nfs/dbraw/zinc/85/99/29/585859929.db2.gz AZJWQZPVIQKQJJ-MWLCHTKSSA-N 0 3 234.315 0.409 20 0 BCADHN CC(C)[C@@H](F)C(=O)NCCOCCN(C)C ZINC000784461745 585860692 /nfs/dbraw/zinc/86/06/92/585860692.db2.gz LTJXIKLCCJNDGR-SNVBAGLBSA-N 0 3 234.315 0.675 20 0 BCADHN CC(=O)CCN1CCC2(COC(=O)N2)CC1 ZINC000784466934 585860945 /nfs/dbraw/zinc/86/09/45/585860945.db2.gz MRFQPHPLDSCKOW-UHFFFAOYSA-N 0 3 226.276 0.540 20 0 BCADHN COC(=O)/C(C)=C\CN(C[C@H](C)O)[C@H](C)CO ZINC000785536203 585875251 /nfs/dbraw/zinc/87/52/51/585875251.db2.gz CRSSZCHCNHNUOH-NVIAFKCQSA-N 0 3 245.319 0.169 20 0 BCADHN Cn1ncc(C(=O)N[C@H]2CCN(CC3CC3)C2)n1 ZINC000786116331 585887654 /nfs/dbraw/zinc/88/76/54/585887654.db2.gz FIOCLECRSZLOMQ-JTQLQIEISA-N 0 3 249.318 0.029 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)c1cnn(C)n1 ZINC000786160379 585887864 /nfs/dbraw/zinc/88/78/64/585887864.db2.gz YNNOZAMXERAWBS-JTQLQIEISA-N 0 3 239.323 0.131 20 0 BCADHN C[C@@H](OC(=O)C1CCN(C)C1=O)C(F)F ZINC000786503174 585892927 /nfs/dbraw/zinc/89/29/27/585892927.db2.gz MPFHFOIEWPCNIJ-RITPCOANSA-N 0 3 221.203 0.662 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)[C@H](C)O ZINC000786974001 585899384 /nfs/dbraw/zinc/89/93/84/585899384.db2.gz WCMWSBLQDHOWNU-IUCAKERBSA-N 0 3 202.298 0.070 20 0 BCADHN CNC(=O)OC[C@@H]1CCCCN1C[C@@H](C)CO ZINC000805828720 585903009 /nfs/dbraw/zinc/90/30/09/585903009.db2.gz PLPNTMYMXZOAMF-MNOVXSKESA-N 0 3 244.335 0.825 20 0 BCADHN CN(C)CCn1ccc(NC(=O)C(F)F)n1 ZINC000787273913 585904611 /nfs/dbraw/zinc/90/46/11/585904611.db2.gz YMBLSSVPTLUYGV-UHFFFAOYSA-N 0 3 232.234 0.648 20 0 BCADHN COC(=O)[C@@H]1CCN(CC(OC)OC)[C@H]1C ZINC000787323000 585906788 /nfs/dbraw/zinc/90/67/88/585906788.db2.gz BCWVSGYBQQJMGX-DTWKUNHWSA-N 0 3 231.292 0.489 20 0 BCADHN CN1CCC(CCO)(NC(=O)C(F)F)CC1 ZINC000787500381 585910692 /nfs/dbraw/zinc/91/06/92/585910692.db2.gz JFECUBQVPNYZKL-UHFFFAOYSA-N 0 3 236.262 0.215 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN2CCC[C@@H]2CO)C1(F)F ZINC000787772891 585915787 /nfs/dbraw/zinc/91/57/87/585915787.db2.gz KGZVYZGWVSZAJC-HLTSFMKQSA-N 0 3 249.257 0.497 20 0 BCADHN CCN(CC)CCOC(=O)Cc1cc[nH]n1 ZINC000787784603 585916131 /nfs/dbraw/zinc/91/61/31/585916131.db2.gz XWKITMKJHYMWBE-UHFFFAOYSA-N 0 3 225.292 0.837 20 0 BCADHN CCN(CC)CC(=O)NCC1OCCCO1 ZINC000787963897 585918011 /nfs/dbraw/zinc/91/80/11/585918011.db2.gz HATBONRPSMECON-UHFFFAOYSA-N 0 3 230.308 0.207 20 0 BCADHN OC[C@H]1CCN(CCc2cccs2)C[C@@H]1O ZINC000787996142 585918770 /nfs/dbraw/zinc/91/87/70/585918770.db2.gz MAQNCYRESVLRHG-PWSUYJOCSA-N 0 3 241.356 0.966 20 0 BCADHN C[C@@H](O)CN1CCN(c2ccncc2)C[C@H]1C ZINC000788327764 585922045 /nfs/dbraw/zinc/92/20/45/585922045.db2.gz RNQPHYPHRGVPAM-VXGBXAGGSA-N 0 3 235.331 0.973 20 0 BCADHN CN(C)C1(C(=O)N(C)CCCCO)CCC1 ZINC000788552857 585926962 /nfs/dbraw/zinc/92/69/62/585926962.db2.gz LJSRXKJGGWVKAU-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)CC1OCCO1 ZINC000788627295 585927907 /nfs/dbraw/zinc/92/79/07/585927907.db2.gz QVUKCZGNBCPCNX-JTQLQIEISA-N 0 3 242.319 0.350 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)CC2OCCO2)C1 ZINC000788654694 585928571 /nfs/dbraw/zinc/92/85/71/585928571.db2.gz BXGXPPYQDPWBBF-JTQLQIEISA-N 0 3 242.319 0.302 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)NOCCOC ZINC000789043246 585934114 /nfs/dbraw/zinc/93/41/14/585934114.db2.gz ZGNGPOFYLOUFSF-SNVBAGLBSA-N 0 3 245.323 0.348 20 0 BCADHN C[C@H](CNC(=S)NC1(C)CC1)N(C)C ZINC000789183100 585936411 /nfs/dbraw/zinc/93/64/11/585936411.db2.gz HZBKFWQRKYIPMC-MRVPVSSYSA-N 0 3 215.366 0.953 20 0 BCADHN C[C@@H](O)CCCN(C)[C@H]1CCCCNC1=O ZINC000789319682 585939675 /nfs/dbraw/zinc/93/96/75/585939675.db2.gz VLICTCSWBNLBED-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN CN(CCCCCO)CC1OCCO1 ZINC000789339798 585940392 /nfs/dbraw/zinc/94/03/92/585940392.db2.gz GVQILYZTPFAQGC-UHFFFAOYSA-N 0 3 203.282 0.454 20 0 BCADHN c1nncn1CN1CC[C@@]2(C1)CCCOC2 ZINC000789569398 585944139 /nfs/dbraw/zinc/94/41/39/585944139.db2.gz ZDTNAYKYWCVIBP-LLVKDONJSA-N 0 3 222.292 0.738 20 0 BCADHN Cc1nn[nH]c1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000789938632 585954141 /nfs/dbraw/zinc/95/41/41/585954141.db2.gz REWNIPKYFDIABS-VIFPVBQESA-N 0 3 237.307 0.185 20 0 BCADHN CN(CC1CCOCC1)[C@H]1CCC(=O)NC1=O ZINC000790081057 585957518 /nfs/dbraw/zinc/95/75/18/585957518.db2.gz WREZLNYZZSDYTL-JTQLQIEISA-N 0 3 240.303 0.150 20 0 BCADHN CC1(C)CN(C[C@@H]2CC3(CC3)C(=O)O2)C[C@H]1O ZINC000790448830 585964785 /nfs/dbraw/zinc/96/47/85/585964785.db2.gz DNMIXQYKCWYAPN-VHSXEESVSA-N 0 3 239.315 0.785 20 0 BCADHN COC/C=C/C(=O)NC[C@H](C)N(C)C1CC1 ZINC000791348053 585978428 /nfs/dbraw/zinc/97/84/28/585978428.db2.gz BZJZUJQQLLBLDQ-YEZKRMTDSA-N 0 3 226.320 0.788 20 0 BCADHN COC/C=C\C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000791372368 585979266 /nfs/dbraw/zinc/97/92/66/585979266.db2.gz ZCBKVLASROYCGN-ABZJQCSKSA-N 0 3 240.347 0.988 20 0 BCADHN C[C@H]1C[C@H]1CNC1(CO)COC(C)(C)OC1 ZINC000859279482 589027008 /nfs/dbraw/zinc/02/70/08/589027008.db2.gz AMBDITIYGJFYQX-UWVGGRQHSA-N 0 3 229.320 0.746 20 0 BCADHN CN(C[C@@H]1CC2(CCC2)C(=O)O1)C1CC(O)C1 ZINC000792288506 585999129 /nfs/dbraw/zinc/99/91/29/585999129.db2.gz YBRCKBUBICFZMP-ILDUYXDCSA-N 0 3 239.315 0.927 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)CC(C)(C)O ZINC000792657441 586003923 /nfs/dbraw/zinc/00/39/23/586003923.db2.gz FPWDPCMJIMBIAH-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CSCCONC(=O)NC[C@@H]1CCCN1C ZINC000792919693 586006656 /nfs/dbraw/zinc/00/66/56/586006656.db2.gz LVVGCLGMJPVSPH-VIFPVBQESA-N 0 3 247.364 0.674 20 0 BCADHN CON(C)C(=O)CN1CCCCC[C@@H]1CCO ZINC000792922575 586006896 /nfs/dbraw/zinc/00/68/96/586006896.db2.gz CTRRDXULUPAWHW-LLVKDONJSA-N 0 3 244.335 0.633 20 0 BCADHN COCC(C)(C)CNC(=S)NCCN(C)C ZINC000793281035 586016149 /nfs/dbraw/zinc/01/61/49/586016149.db2.gz JNJUYZVBFVTFSQ-UHFFFAOYSA-N 0 3 247.408 0.685 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)CC1OCCO1 ZINC000793492266 586020871 /nfs/dbraw/zinc/02/08/71/586020871.db2.gz CASUEIQHQOTKGS-SNVBAGLBSA-N 0 3 244.335 0.452 20 0 BCADHN Cc1cc([C@@H](C)NCCC(=O)N(C)C)n(C)n1 ZINC000793522787 586021828 /nfs/dbraw/zinc/02/18/28/586021828.db2.gz BRMOWWHEMHFZHX-SNVBAGLBSA-N 0 3 238.335 0.857 20 0 BCADHN COC[C@](C)(O)CN[C@H](C)c1cc(C)nn1C ZINC000793543926 586022419 /nfs/dbraw/zinc/02/24/19/586022419.db2.gz WXUIUQVCPDGSME-ZYHUDNBSSA-N 0 3 241.335 0.777 20 0 BCADHN COC[C@@H](O)CCN[C@H](C)c1cc(C)nn1C ZINC000793547598 586022465 /nfs/dbraw/zinc/02/24/65/586022465.db2.gz QNBKUNMTNCFZPF-MNOVXSKESA-N 0 3 241.335 0.777 20 0 BCADHN COC[C@H](O)CCN[C@H](C)c1cc(C)nn1C ZINC000793547597 586022599 /nfs/dbraw/zinc/02/25/99/586022599.db2.gz QNBKUNMTNCFZPF-GHMZBOCLSA-N 0 3 241.335 0.777 20 0 BCADHN CN1CC=C(CNC(=O)CC2OCCO2)CC1 ZINC000793777993 586026601 /nfs/dbraw/zinc/02/66/01/586026601.db2.gz ZJLOJCODPPQVDU-UHFFFAOYSA-N 0 3 240.303 0.128 20 0 BCADHN CSCCO[N-]C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000794195755 586034923 /nfs/dbraw/zinc/03/49/23/586034923.db2.gz PPCPMOYMWFWGAH-MRVPVSSYSA-N 0 3 218.322 0.349 20 0 BCADHN CSCCO[N-]C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000794195755 586034924 /nfs/dbraw/zinc/03/49/24/586034924.db2.gz PPCPMOYMWFWGAH-MRVPVSSYSA-N 0 3 218.322 0.349 20 0 BCADHN Cc1nc(CN2CCN(C)[C@@H](C)C2)n[nH]1 ZINC000794449812 586039702 /nfs/dbraw/zinc/03/97/02/586039702.db2.gz NRANDKWABBMJOO-QMMMGPOBSA-N 0 3 209.297 0.249 20 0 BCADHN CC(C)[C@H](NCC(N)=O)[C@H](O)c1ccccc1 ZINC000794599716 586045408 /nfs/dbraw/zinc/04/54/08/586045408.db2.gz HMYQGTYZBFUHQS-QWHCGFSZSA-N 0 3 236.315 0.820 20 0 BCADHN CCCCOC(=O)CN1CC[C@H]2CN(C)C[C@H]21 ZINC000794947703 586057385 /nfs/dbraw/zinc/05/73/85/586057385.db2.gz CHHUXQBLIGDFNX-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CCCCOC(=O)CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000794947702 586057492 /nfs/dbraw/zinc/05/74/92/586057492.db2.gz CHHUXQBLIGDFNX-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCOC(=O)CCN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794969684 586059270 /nfs/dbraw/zinc/05/92/70/586059270.db2.gz BDSSQDNGHFEMBZ-JZYVYDRUSA-N 0 3 241.287 0.290 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCc3ccccn3)C[C@@H]21 ZINC000794968757 586059557 /nfs/dbraw/zinc/05/95/57/586059557.db2.gz RFMYGYNXDWHNTR-ITGUQSILSA-N 0 3 246.310 0.975 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(C[C@H]3CC[C@H](C)O3)C[C@@H]21 ZINC000794986709 586061803 /nfs/dbraw/zinc/06/18/03/586061803.db2.gz LKWWKZLETXCNQC-RNWYCLNJSA-N 0 3 239.315 0.905 20 0 BCADHN CN(C)CCNC(=S)N(CCO)CC1CC1 ZINC000795098315 586068305 /nfs/dbraw/zinc/06/83/05/586068305.db2.gz JYUINXBPHPYLMS-UHFFFAOYSA-N 0 3 245.392 0.127 20 0 BCADHN CO[C@H]1C[C@@H](N(C)C(=S)NCCN(C)C)C1 ZINC000795106954 586068921 /nfs/dbraw/zinc/06/89/21/586068921.db2.gz HRDZSMPFSMQCCS-AOOOYVTPSA-N 0 3 245.392 0.532 20 0 BCADHN C[C@@H](O)CN1CCN(c2ccncc2)[C@H](C)C1 ZINC000795140559 586069457 /nfs/dbraw/zinc/06/94/57/586069457.db2.gz OVTQZSSHOUOQMN-VXGBXAGGSA-N 0 3 235.331 0.973 20 0 BCADHN CN(C[C@H]1CC2(CC2)C(=O)O1)C1(CO)CCC1 ZINC000795202169 586071608 /nfs/dbraw/zinc/07/16/08/586071608.db2.gz UIEYMZKKFDBLRH-SNVBAGLBSA-N 0 3 239.315 0.929 20 0 BCADHN CCN1CCN(CCN2CCOC2=O)[C@@H](C)C1 ZINC000796317348 586100292 /nfs/dbraw/zinc/10/02/92/586100292.db2.gz SBOQMUIAPLPTIA-NSHDSACASA-N 0 3 241.335 0.465 20 0 BCADHN Cc1nc2n(n1)C[C@@H](NCc1c[nH]cn1)CC2 ZINC000796448958 586103438 /nfs/dbraw/zinc/10/34/38/586103438.db2.gz JIBAAQVMXNSSHM-VIFPVBQESA-N 0 3 232.291 0.414 20 0 BCADHN Cc1nc2n(n1)C[C@@H](NCc1cnc[nH]1)CC2 ZINC000796448958 586103439 /nfs/dbraw/zinc/10/34/39/586103439.db2.gz JIBAAQVMXNSSHM-VIFPVBQESA-N 0 3 232.291 0.414 20 0 BCADHN C[C@H]1OCC[C@@H]1N(CCO)CCC(=O)C1CC1 ZINC000796580801 586107203 /nfs/dbraw/zinc/10/72/03/586107203.db2.gz SUKSTOFTRHJMKT-PWSUYJOCSA-N 0 3 241.331 0.827 20 0 BCADHN CCC(=O)CCN(CCO)[C@@H]1CCO[C@@H]1C ZINC000796573982 586107293 /nfs/dbraw/zinc/10/72/93/586107293.db2.gz GENTUHOMENQVCT-ZYHUDNBSSA-N 0 3 229.320 0.827 20 0 BCADHN CNC(=O)CCNC(C)(C)C(=O)N1CCCC1 ZINC000796591166 586108120 /nfs/dbraw/zinc/10/81/20/586108120.db2.gz ADTAVPYELNJQOB-UHFFFAOYSA-N 0 3 241.335 0.113 20 0 BCADHN CN(CCC(N)=O)C[C@@H](O)c1cccc(F)c1 ZINC000796596123 586108255 /nfs/dbraw/zinc/10/82/55/586108255.db2.gz QFJCWJRCCLLISZ-LLVKDONJSA-N 0 3 240.278 0.666 20 0 BCADHN C[C@H](NCCC(N)=O)[C@@H](O)c1ccc(F)cc1 ZINC000843074299 586126453 /nfs/dbraw/zinc/12/64/53/586126453.db2.gz LPPPCYBFAYMGRT-QPUJVOFHSA-N 0 3 240.278 0.713 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(CN2CCCC2=O)C1 ZINC000797413956 586126621 /nfs/dbraw/zinc/12/66/21/586126621.db2.gz JQNSUYIWZAHXAJ-LBPRGKRZSA-N 0 3 239.319 0.024 20 0 BCADHN CN(C)CCNC(=O)Cc1ccc(F)cn1 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MGHMRYGOYURRKA-ZJUUUORDSA-N 0 3 242.319 0.668 20 0 BCADHN C[C@@H](CN(C)C)NC(=S)NCC(F)(F)F ZINC000806591512 586415251 /nfs/dbraw/zinc/41/52/51/586415251.db2.gz PVLUNIPWMMTLDE-LURJTMIESA-N 0 3 243.298 0.963 20 0 BCADHN Cc1cnccc1COC(=O)C1CCN(C)C1=O ZINC000859641968 589051768 /nfs/dbraw/zinc/05/17/68/589051768.db2.gz NCNFKUACFCEELR-LLVKDONJSA-N 0 3 248.282 0.912 20 0 BCADHN CN(C)CCN(C(=O)c1ncccn1)C1CC1 ZINC000807265516 586430865 /nfs/dbraw/zinc/43/08/65/586430865.db2.gz IMDYAWZREVWXQN-UHFFFAOYSA-N 0 3 234.303 0.643 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1C(=O)OCC1(C)C ZINC000808107762 586463656 /nfs/dbraw/zinc/46/36/56/586463656.db2.gz KKCCDFKRTOLCGS-SNVBAGLBSA-N 0 3 242.319 0.396 20 0 BCADHN CC(C)=CC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000808159172 586465662 /nfs/dbraw/zinc/46/56/62/586465662.db2.gz FUTIRYOTHJZTNJ-NWDGAFQWSA-N 0 3 238.331 0.620 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1C[C@H](C)OC1=O ZINC000808207055 586467686 /nfs/dbraw/zinc/46/76/86/586467686.db2.gz MOWZWORITXWAFR-DTWKUNHWSA-N 0 3 228.292 0.148 20 0 BCADHN Cn1cnc(CNCCCN2CCOC2=O)c1 ZINC000808385086 586470353 /nfs/dbraw/zinc/47/03/53/586470353.db2.gz OLDKXHBVZSRWQR-UHFFFAOYSA-N 0 3 238.291 0.352 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NCc1cn(C)cn1 ZINC000808396507 586470947 /nfs/dbraw/zinc/47/09/47/586470947.db2.gz ZQPBRQOPSQKYSB-GWCFXTLKSA-N 0 3 234.347 0.992 20 0 BCADHN Cn1cnc(CN[C@@H]2CCc3c[nH]nc3C2)c1 ZINC000808396152 586471350 /nfs/dbraw/zinc/47/13/50/586471350.db2.gz VDFMVRHOJKGVOU-SNVBAGLBSA-N 0 3 231.303 0.790 20 0 BCADHN CNC(=O)[C@H](C)CN(C)CCC(=O)C(C)C ZINC000808732141 586485044 /nfs/dbraw/zinc/48/50/44/586485044.db2.gz CYEDVKLWJVDDNQ-SNVBAGLBSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@H](CCO)N[C@H]1COc2ccccc2[C@@H]1O ZINC000808727826 586485279 /nfs/dbraw/zinc/48/52/79/586485279.db2.gz AIRFZGIVPDSXDK-CDMKHQONSA-N 0 3 237.299 0.842 20 0 BCADHN C[C@H](CCO)N[C@@H]1COc2ccccc2[C@H]1O ZINC000808727827 586485460 /nfs/dbraw/zinc/48/54/60/586485460.db2.gz AIRFZGIVPDSXDK-IRUJWGPZSA-N 0 3 237.299 0.842 20 0 BCADHN CC(C)C(=O)CCN1C[C@H](O)C[C@H](O)C1 ZINC000808733102 586485805 /nfs/dbraw/zinc/48/58/05/586485805.db2.gz NXXGEWGIVUHBFV-AOOOYVTPSA-N 0 3 215.293 0.029 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCOCC[C@@H]1C ZINC000808744266 586486334 /nfs/dbraw/zinc/48/63/34/586486334.db2.gz JRWBPRQHBIIDCV-ONGXEEELSA-N 0 3 231.292 0.021 20 0 BCADHN COCCCN(CCO)CCC(=O)C(C)C ZINC000808750391 586488232 /nfs/dbraw/zinc/48/82/32/586488232.db2.gz NLLCBZNTBFMPQQ-UHFFFAOYSA-N 0 3 231.336 0.932 20 0 BCADHN CC(C)C(=O)CCN1CC[C@@]2(CNC(=O)C2)C1 ZINC000808754559 586489211 /nfs/dbraw/zinc/48/92/11/586489211.db2.gz UJVMPEMZPXSACR-CYBMUJFWSA-N 0 3 238.331 0.814 20 0 BCADHN CCO[C@H]1C[C@@H](OC(=O)C2CCN(C)C2=O)C1 ZINC000809118865 586498290 /nfs/dbraw/zinc/49/82/90/586498290.db2.gz OCCMLYNMRXUMON-KXUCPTDWSA-N 0 3 241.287 0.575 20 0 BCADHN NC(=O)C[C@H]1CCN(Cc2ccoc2)C1 ZINC000809785321 586519896 /nfs/dbraw/zinc/51/98/96/586519896.db2.gz RNOMCSXKXZXZIH-SECBINFHSA-N 0 3 208.261 0.977 20 0 BCADHN C[C@@H](O)CN(CCO)C[C@@H]1CC1(Cl)Cl 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/nfs/dbraw/zinc/58/78/12/586587812.db2.gz XFPAKSDABAXACY-UHFFFAOYSA-N 0 3 245.319 0.127 20 0 BCADHN CC1(C)OCC(CO)(NC[C@@H]2CCCO2)CO1 ZINC000812837671 586587820 /nfs/dbraw/zinc/58/78/20/586587820.db2.gz IDWBCNHQNVTVNM-JTQLQIEISA-N 0 3 245.319 0.269 20 0 BCADHN Cc1c[nH]nc1NC(=O)[C@H]1CN2CCN1CCC2 ZINC000813538241 586603209 /nfs/dbraw/zinc/60/32/09/586603209.db2.gz XJBHXKNSYDWVDU-SNVBAGLBSA-N 0 3 249.318 0.047 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2ccncc2)C1 ZINC000813821204 586606714 /nfs/dbraw/zinc/60/67/14/586606714.db2.gz PVZROAGUYYIGJI-JQWIXIFHSA-N 0 3 246.314 0.671 20 0 BCADHN Cc1nc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)no1 ZINC000813820130 586606933 /nfs/dbraw/zinc/60/69/33/586606933.db2.gz BRWGAPCXURYTIF-DTWKUNHWSA-N 0 3 236.275 0.154 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3=COCCC3)[C@H]2C1 ZINC000814144078 586614185 /nfs/dbraw/zinc/61/41/85/586614185.db2.gz DRZLGIDBJCKGMK-PWSUYJOCSA-N 0 3 236.315 0.843 20 0 BCADHN CO[C@H](C)CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000814145945 586614893 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DQKHYYXEGIRGTN-UHFFFAOYSA-N 0 3 245.319 0.834 20 0 BCADHN CCN(C[C@@H]1CC2(CC2)C(=O)O1)[C@@H](C)CO ZINC000815184258 586672764 /nfs/dbraw/zinc/67/27/64/586672764.db2.gz UALDWBNCOPFHAY-UWVGGRQHSA-N 0 3 227.304 0.785 20 0 BCADHN CCN(C/C=C(\C)C(=O)OC)[C@@H](C)CO ZINC000815184536 586673036 /nfs/dbraw/zinc/67/30/36/586673036.db2.gz DAFDKTRPVDSJOJ-ZKXNXJMVSA-N 0 3 215.293 0.808 20 0 BCADHN OC[C@@H]1CCCN(CC2OCCO2)CC1 ZINC000815275049 586676518 /nfs/dbraw/zinc/67/65/18/586676518.db2.gz PEQPTPURNRAQCX-SNVBAGLBSA-N 0 3 215.293 0.454 20 0 BCADHN O=C1O[C@@H](CN2CCC[C@@H](O)CC2)CC12CC2 ZINC000815299235 586678032 /nfs/dbraw/zinc/67/80/32/586678032.db2.gz TVKHVSVYRUBYND-GHMZBOCLSA-N 0 3 239.315 0.929 20 0 BCADHN CCN(CC)CCOC(=O)c1cnn(CC)n1 ZINC000815427617 586684301 /nfs/dbraw/zinc/68/43/01/586684301.db2.gz FZLZNZVDJIRIOE-UHFFFAOYSA-N 0 3 240.307 0.797 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)Cc2ccoc2)CC1 ZINC000816533385 586739271 /nfs/dbraw/zinc/73/92/71/586739271.db2.gz UDVDMRRABYMZRC-UHFFFAOYSA-N 0 3 238.287 0.964 20 0 BCADHN Cc1ocnc1C(=O)NOC1CCN(C)CC1 ZINC000816533501 586739371 /nfs/dbraw/zinc/73/93/71/586739371.db2.gz YWWYWSCXRLBNTD-UHFFFAOYSA-N 0 3 239.275 0.739 20 0 BCADHN C/C=C(/CC)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000816625494 586745703 /nfs/dbraw/zinc/74/57/03/586745703.db2.gz FZLSGECOXXPTQB-CTPBAPBTSA-N 0 3 240.347 0.916 20 0 BCADHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)C(F)F ZINC000816750524 586760677 /nfs/dbraw/zinc/76/06/77/586760677.db2.gz NSCLKPFCNBFGPZ-DTWKUNHWSA-N 0 3 248.273 0.573 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)Cc1ncc[nH]1 ZINC000816833733 586766962 /nfs/dbraw/zinc/76/69/62/586766962.db2.gz SBWASKBIIWAQLN-SNVBAGLBSA-N 0 3 236.319 0.553 20 0 BCADHN CON(C)C(=O)CN1CCC[C@@H](CCO)CC1 ZINC000817296237 586793690 /nfs/dbraw/zinc/79/36/90/586793690.db2.gz GRWTWUMZHQJNGV-LLVKDONJSA-N 0 3 244.335 0.491 20 0 BCADHN C[N@@H+]1CC[C@H](C(=O)[N-]OCCC2CC2)C1 ZINC000817388303 586800053 /nfs/dbraw/zinc/80/00/53/586800053.db2.gz UZVWLEHPUHVPNN-JTQLQIEISA-N 0 3 212.293 0.786 20 0 BCADHN C[N@H+]1CC[C@H](C(=O)[N-]OCCC2CC2)C1 ZINC000817388303 586800054 /nfs/dbraw/zinc/80/00/54/586800054.db2.gz UZVWLEHPUHVPNN-JTQLQIEISA-N 0 3 212.293 0.786 20 0 BCADHN CC[C@@H](CO)C(=O)N(C)C[C@@H]1CCCN1C ZINC000817679909 586816409 /nfs/dbraw/zinc/81/64/09/586816409.db2.gz XFRGYMCEOJKCKG-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CN(C(=O)C(=O)C(C)(C)C)[C@H](CN)C1CC1 ZINC000818005255 586863941 /nfs/dbraw/zinc/86/39/41/586863941.db2.gz OBZUAJDRZDYUQZ-SECBINFHSA-N 0 3 226.320 0.797 20 0 BCADHN CN(C)C(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1N ZINC000818060941 586868144 /nfs/dbraw/zinc/86/81/44/586868144.db2.gz VFOAEEZQRIVKJX-ZJUUUORDSA-N 0 3 247.298 0.674 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@H](O)c1cccc(F)c1 ZINC000818094983 586873949 /nfs/dbraw/zinc/87/39/49/586873949.db2.gz BYCPJJWAKOGTGU-AXFHLTTASA-N 0 3 238.262 0.323 20 0 BCADHN COC(=O)C1(CNC(=O)[C@@H]2C[C@@H]2N)CCCC1 ZINC000818127460 586875995 /nfs/dbraw/zinc/87/59/95/586875995.db2.gz HPQAKEMIHQVFAW-BDAKNGLRSA-N 0 3 240.303 0.183 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCC[C@@H](O)c1ccccc1 ZINC000818139117 586876431 /nfs/dbraw/zinc/87/64/31/586876431.db2.gz PRSNYQVFEFVVGG-QJPTWQEYSA-N 0 3 234.299 0.574 20 0 BCADHN CNC(=O)c1cc(C)ccc1NC(=O)[C@@H]1C[C@@H]1N ZINC000818134659 586876468 /nfs/dbraw/zinc/87/64/68/586876468.db2.gz GSBDLDHOSIUAKL-SCZZXKLOSA-N 0 3 247.298 0.640 20 0 BCADHN CN(Cc1ccc(F)cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859962033 589073624 /nfs/dbraw/zinc/07/36/24/589073624.db2.gz DLOFRTBLXWOGMD-DKTWLAJQSA-N 0 3 237.278 0.916 20 0 BCADHN CCNCC(=O)NCC(=O)Nc1ccccc1 ZINC000818459656 586891004 /nfs/dbraw/zinc/89/10/04/586891004.db2.gz LCDHBTIVEGWJKD-UHFFFAOYSA-N 0 3 235.287 0.351 20 0 BCADHN CSC(C)(C)CNC(=O)CCOC1CNC1 ZINC000818468774 586892649 /nfs/dbraw/zinc/89/26/49/586892649.db2.gz DDFTXSLGDDGYBW-UHFFFAOYSA-N 0 3 246.376 0.623 20 0 BCADHN NC1(C(=O)NC[C@H]2COc3ccccc3C2)CC1 ZINC000818471316 586893372 /nfs/dbraw/zinc/89/33/72/586893372.db2.gz RMYDJEUUPQTNRO-JTQLQIEISA-N 0 3 246.310 0.845 20 0 BCADHN CCNCC(=O)Nc1ccccc1C(=O)NCC ZINC000818499982 586894939 /nfs/dbraw/zinc/89/49/39/586894939.db2.gz ZUOMIHDBXAIBFR-UHFFFAOYSA-N 0 3 249.314 0.984 20 0 BCADHN CCNCC(=O)Nc1ccnn1CC1CC1 ZINC000818504804 586895536 /nfs/dbraw/zinc/89/55/36/586895536.db2.gz ZGMJXUHWTLZSLR-UHFFFAOYSA-N 0 3 222.292 0.841 20 0 BCADHN CCNCC(=O)N[C@H](C)Cc1c(C)noc1C ZINC000818501164 586895991 /nfs/dbraw/zinc/89/59/91/586895991.db2.gz WNWCMSSNUIEASP-MRVPVSSYSA-N 0 3 239.319 0.948 20 0 BCADHN CCNCC(=O)NCCCOC[C@@H]1CCOC1 ZINC000818513906 586896041 /nfs/dbraw/zinc/89/60/41/586896041.db2.gz XLGGDCLBHKTWHK-NSHDSACASA-N 0 3 244.335 0.155 20 0 BCADHN CCNCC(=O)NCCCOC[C@H]1CCOC1 ZINC000818513903 586896080 /nfs/dbraw/zinc/89/60/80/586896080.db2.gz XLGGDCLBHKTWHK-LLVKDONJSA-N 0 3 244.335 0.155 20 0 BCADHN CCNCC(=O)N1CC[C@H](COCCOC)C1 ZINC000818514743 586896487 /nfs/dbraw/zinc/89/64/87/586896487.db2.gz VMVPOLJAQQRZBT-NSHDSACASA-N 0 3 244.335 0.107 20 0 BCADHN CCNCC(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC000818613526 586902931 /nfs/dbraw/zinc/90/29/31/586902931.db2.gz RZQVYDCMNYCHFE-ZJUUUORDSA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@@H](C(=O)NC(C)(C)CC(=O)OC)N(C)C ZINC000840363248 586900250 /nfs/dbraw/zinc/90/02/50/586900250.db2.gz YRECLHSWTUMBOZ-VIFPVBQESA-N 0 3 244.335 0.785 20 0 BCADHN COc1ccc(N)c(NC(=O)[C@H]2CCN2)c1 ZINC000818558463 586900603 /nfs/dbraw/zinc/90/06/03/586900603.db2.gz PBARSPACVZXUNT-SECBINFHSA-N 0 3 221.260 0.578 20 0 BCADHN COc1cc(NC(=O)[C@@H]2C[C@@H]2N)ccc1N ZINC000818558972 586900764 /nfs/dbraw/zinc/90/07/64/586900764.db2.gz IYIQMQWHUPQTBB-APPZFPTMSA-N 0 3 221.260 0.563 20 0 BCADHN Cc1ccc(N)cc1NC(=O)CCOC1CNC1 ZINC000818584518 586903381 /nfs/dbraw/zinc/90/33/81/586903381.db2.gz BSVUKYDQBIHAGT-UHFFFAOYSA-N 0 3 249.314 0.894 20 0 BCADHN CCNCC(=O)N[C@@H](C)CCC(=O)OCC ZINC000818604715 586905240 /nfs/dbraw/zinc/90/52/40/586905240.db2.gz KKBOIEBINSVXNT-VIFPVBQESA-N 0 3 230.308 0.444 20 0 BCADHN CCNCC(=O)N1CCN(CC)C(=O)C1(C)C ZINC000818610372 586905683 /nfs/dbraw/zinc/90/56/83/586905683.db2.gz AILQUENSFMCYMA-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN Cc1ccc(N)cc1C(=O)NC[C@H]1CNCCO1 ZINC000818612093 586906356 /nfs/dbraw/zinc/90/63/56/586906356.db2.gz NLCBMDDTXBKGAS-LLVKDONJSA-N 0 3 249.314 0.295 20 0 BCADHN Cn1ncc(Cn2cc3c(n2)[C@H](N)CCC3)n1 ZINC000818617695 586907500 /nfs/dbraw/zinc/90/75/00/586907500.db2.gz GZKXCSCOEGGSIL-SNVBAGLBSA-N 0 3 232.291 0.396 20 0 BCADHN Cn1ncc(Cn2cc3c(n2)[C@@H](N)CCC3)n1 ZINC000818617693 586907507 /nfs/dbraw/zinc/90/75/07/586907507.db2.gz GZKXCSCOEGGSIL-JTQLQIEISA-N 0 3 232.291 0.396 20 0 BCADHN CN(C[C@@H](O)c1ccccn1)C[C@H]1C[C@@H](O)C1 ZINC000859971121 589074614 /nfs/dbraw/zinc/07/46/14/589074614.db2.gz PPTWPGLCCATUID-NTZNESFSSA-N 0 3 236.315 0.818 20 0 BCADHN C/C=C\C(=O)Nc1ccnn1CCN(C)C ZINC000818936962 586915916 /nfs/dbraw/zinc/91/59/16/586915916.db2.gz CSABDKLQEWYHNU-PLNGDYQASA-N 0 3 222.292 0.959 20 0 BCADHN NC(=O)CCNC[C@H]1CC1(Cl)Cl ZINC000818950355 586917374 /nfs/dbraw/zinc/91/73/74/586917374.db2.gz VNRLMUGGMPNTCF-RXMQYKEDSA-N 0 3 211.092 0.645 20 0 BCADHN C[C@@H](O)CNCC(=O)Nc1ccc(F)c(F)c1 ZINC000818950199 586917592 /nfs/dbraw/zinc/91/75/92/586917592.db2.gz QIYHNMIEBRCTNW-SSDOTTSWSA-N 0 3 244.241 0.874 20 0 BCADHN CC[C@@H](O)CNCc1ccc(-n2cncn2)nc1 ZINC000818959635 586918145 /nfs/dbraw/zinc/91/81/45/586918145.db2.gz PPJYZHACAFWCEO-LLVKDONJSA-N 0 3 247.302 0.523 20 0 BCADHN CCOCC[C@H](O)CNCC(=O)N(CC)CC ZINC000818975222 586918918 /nfs/dbraw/zinc/91/89/18/586918918.db2.gz KYHVIUOMTUIDIW-NSHDSACASA-N 0 3 246.351 0.232 20 0 BCADHN CCS(=O)(=O)CCNCCc1nccs1 ZINC000818988689 586920262 /nfs/dbraw/zinc/92/02/62/586920262.db2.gz RCRPHGAKDJOZBZ-UHFFFAOYSA-N 0 3 248.373 0.710 20 0 BCADHN Cc1ccccc1[C@H](O)CN[C@H]1CC(=O)N(C)C1 ZINC000818995021 586921414 /nfs/dbraw/zinc/92/14/14/586921414.db2.gz NFCBQHVCNVXWNW-WCQYABFASA-N 0 3 248.326 0.849 20 0 BCADHN CS(=O)(=O)CCN[C@H]1CCN(CC2CC2)C1 ZINC000819038261 586926596 /nfs/dbraw/zinc/92/65/96/586926596.db2.gz BMWBFNIPGFXKNR-NSHDSACASA-N 0 3 246.376 0.105 20 0 BCADHN COC[C@@H](O)CNCC[S@](=O)C(C)(C)C ZINC000819056552 586928149 /nfs/dbraw/zinc/92/81/49/586928149.db2.gz MUGXXVFKKYBLHU-VFZGTOFNSA-N 0 3 237.365 0.131 20 0 BCADHN CCc1cc(CNC[C@@H](O)COC(C)C)n[nH]1 ZINC000819055522 586928438 /nfs/dbraw/zinc/92/84/38/586928438.db2.gz WISFZGRUHIPTSW-GFCCVEGCSA-N 0 3 241.335 0.848 20 0 BCADHN CCc1cc(CNC[C@@H](O)COC(C)C)[nH]n1 ZINC000819055522 586928439 /nfs/dbraw/zinc/92/84/39/586928439.db2.gz WISFZGRUHIPTSW-GFCCVEGCSA-N 0 3 241.335 0.848 20 0 BCADHN CCOC[C@H](O)CNCc1cc(CC)[nH]n1 ZINC000819054987 586928448 /nfs/dbraw/zinc/92/84/48/586928448.db2.gz SARRAGZJZADZLL-LLVKDONJSA-N 0 3 227.308 0.459 20 0 BCADHN CCOC[C@H](O)CNCc1cc(CC)n[nH]1 ZINC000819054987 586928449 /nfs/dbraw/zinc/92/84/49/586928449.db2.gz SARRAGZJZADZLL-LLVKDONJSA-N 0 3 227.308 0.459 20 0 BCADHN C[C@H](CNC(=O)/C=C/[C@@H]1CCCO1)N(C)C ZINC000819088828 586930345 /nfs/dbraw/zinc/93/03/45/586930345.db2.gz FXPMDCBTOKBBPR-JNQBIPAQSA-N 0 3 226.320 0.788 20 0 BCADHN CON(C)C(=O)CCNCCC(F)(F)F ZINC000819123972 586931759 /nfs/dbraw/zinc/93/17/59/586931759.db2.gz IOETUDSVLNLGLC-UHFFFAOYSA-N 0 3 228.214 0.938 20 0 BCADHN CN(CCNC(=O)/C=C/[C@@H]1CCCO1)C1CC1 ZINC000819160477 586934291 /nfs/dbraw/zinc/93/42/91/586934291.db2.gz GDRRSXRYUKOKCU-SYTKJHMZSA-N 0 3 238.331 0.932 20 0 BCADHN O=S(=O)(CCNCC1(O)CCC1)CC1CC1 ZINC000819173569 586935641 /nfs/dbraw/zinc/93/56/41/586935641.db2.gz NSJMGYUAUBGLTF-UHFFFAOYSA-N 0 3 247.360 0.316 20 0 BCADHN O[C@@H](CN[C@H]1CCOC1)c1ccc(F)cn1 ZINC000819187955 586936827 /nfs/dbraw/zinc/93/68/27/586936827.db2.gz XEHUIHKGKLAMTP-ONGXEEELSA-N 0 3 226.251 0.633 20 0 BCADHN CCOCC[C@@H](O)CNC1COC(C)(C)OC1 ZINC000819226755 586940699 /nfs/dbraw/zinc/94/06/99/586940699.db2.gz WZKSEBXJNLFVOL-LLVKDONJSA-N 0 3 247.335 0.515 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC[C@@H](O)C1CC1 ZINC000819258429 586945020 /nfs/dbraw/zinc/94/50/20/586945020.db2.gz MKEPBQYAHAEUSE-PSASIEDQSA-N 0 3 214.309 0.214 20 0 BCADHN C[C@@H](NCCS(C)(=O)=O)c1cc[nH]c(=O)c1 ZINC000819331885 586953112 /nfs/dbraw/zinc/95/31/12/586953112.db2.gz DVFAMSZQWNRNPY-MRVPVSSYSA-N 0 3 244.316 0.482 20 0 BCADHN CON(C)C(=O)CCNCc1cnccc1C ZINC000819350358 586955558 /nfs/dbraw/zinc/95/55/58/586955558.db2.gz MPJCDGDWCWBIHE-UHFFFAOYSA-N 0 3 237.303 0.890 20 0 BCADHN O=C1[C@H](NC[C@H](O)C2CC2)C[C@@H]2CCCCN12 ZINC000819358433 586956386 /nfs/dbraw/zinc/95/63/86/586956386.db2.gz HKBRDOMPPKMDHL-TUAOUCFPSA-N 0 3 238.331 0.500 20 0 BCADHN CO[C@@](C)([C@H](C)NCCS(C)(=O)=O)C1CC1 ZINC000819369519 586957446 /nfs/dbraw/zinc/95/74/46/586957446.db2.gz XMLHPYAYMWUTCF-ONGXEEELSA-N 0 3 249.376 0.824 20 0 BCADHN CC[C@@H]1OCC[C@H]1NCCS(=O)(=O)CC ZINC000819366184 586957479 /nfs/dbraw/zinc/95/74/79/586957479.db2.gz KQVZKWAEPFEVJZ-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN CN(C)C1(C(=O)N2CC3(C2)CCOC3)CCC1 ZINC000819384987 586959958 /nfs/dbraw/zinc/95/99/58/586959958.db2.gz WAHWVGCCDISQDA-UHFFFAOYSA-N 0 3 238.331 0.720 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C(F)=C1CCC1 ZINC000819423955 586963027 /nfs/dbraw/zinc/96/30/27/586963027.db2.gz ISTFGWDEVBQORM-LBPRGKRZSA-N 0 3 244.310 0.823 20 0 BCADHN Cc1cc(N2CCC[C@@H](CO)[C@H]2C)nc(N)n1 ZINC000840388492 586979103 /nfs/dbraw/zinc/97/91/03/586979103.db2.gz UMOWFYCDUCAURW-ZJUUUORDSA-N 0 3 236.319 0.964 20 0 BCADHN COC(=O)/C(C)=C/CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860129688 589080823 /nfs/dbraw/zinc/08/08/23/589080823.db2.gz XUMFYJQDLJBFEG-DEMQSYJASA-N 0 3 239.315 0.951 20 0 BCADHN O=C(CN1CCCC1)N1CC(n2ccnc2)C1 ZINC000820003586 587011985 /nfs/dbraw/zinc/01/19/85/587011985.db2.gz WVMDEQOHWZYKBG-UHFFFAOYSA-N 0 3 234.303 0.362 20 0 BCADHN COC(OC)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000820233764 587036905 /nfs/dbraw/zinc/03/69/05/587036905.db2.gz UUDNNBJYSAQNHW-NXEZZACHSA-N 0 3 244.335 0.404 20 0 BCADHN CC(=O)CCN1CCCC[C@H]1CNC(C)=O ZINC000860172925 589082359 /nfs/dbraw/zinc/08/23/59/589082359.db2.gz QSDNLFCVMJZBPK-LBPRGKRZSA-N 0 3 226.320 0.956 20 0 BCADHN C[C@H](CNC(=O)c1cncc(C=O)c1)CN(C)C ZINC000820248268 587038265 /nfs/dbraw/zinc/03/82/65/587038265.db2.gz YXTJMGWVDSLQSL-SNVBAGLBSA-N 0 3 249.314 0.822 20 0 BCADHN CN(C)CCN(C)C(=O)C1(Br)CC1 ZINC000820527129 587052655 /nfs/dbraw/zinc/05/26/55/587052655.db2.gz NXUOHDGAEXSMGY-UHFFFAOYSA-N 0 3 249.152 0.934 20 0 BCADHN Cc1nn(C)c(C)c1CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860159497 589083184 /nfs/dbraw/zinc/08/31/84/589083184.db2.gz KCJFIRMBYUWGCR-ZYHUDNBSSA-N 0 3 249.314 0.642 20 0 BCADHN CCN(CC)CCN[C@H](C)c1cnnn1C ZINC000820805500 587073100 /nfs/dbraw/zinc/07/31/00/587073100.db2.gz KVZPILHZUZLCIZ-SNVBAGLBSA-N 0 3 225.340 0.808 20 0 BCADHN C[C@H](O)C[C@H](C)CN[C@@H](C)c1cnnn1C ZINC000820811377 587074149 /nfs/dbraw/zinc/07/41/49/587074149.db2.gz PMEYYAZXIHOPHU-GUBZILKMSA-N 0 3 226.324 0.873 20 0 BCADHN C[C@H](CCO)CN[C@@H](C)c1cnnn1C ZINC000820812538 587074238 /nfs/dbraw/zinc/07/42/38/587074238.db2.gz NDLVXNWQFZIRPJ-BDAKNGLRSA-N 0 3 212.297 0.484 20 0 BCADHN COC(OC)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000820830977 587075322 /nfs/dbraw/zinc/07/53/22/587075322.db2.gz CNWYZROYLVJYTI-WCBMZHEXSA-N 0 3 242.319 0.204 20 0 BCADHN CC(C)OC(=O)CCN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860160566 589084264 /nfs/dbraw/zinc/08/42/64/589084264.db2.gz WWHLGUGIPJGCDT-NXEZZACHSA-N 0 3 241.287 0.433 20 0 BCADHN CCC(=O)CCN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166537 589084387 /nfs/dbraw/zinc/08/43/87/589084387.db2.gz MWUXJIOXCGNSKX-PSASIEDQSA-N 0 3 211.261 0.460 20 0 BCADHN Cc1cccnc1CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860165211 589084718 /nfs/dbraw/zinc/08/47/18/589084718.db2.gz UCYVLHJBCLQVLK-GHMZBOCLSA-N 0 3 232.283 0.995 20 0 BCADHN C[C@@H]1CC[C@H](CN2C[C@@H]3COC(=O)[C@@H]3C2)O1 ZINC000860166871 589085662 /nfs/dbraw/zinc/08/56/62/589085662.db2.gz XJVPEIQVPWNWOF-GWOFURMSSA-N 0 3 225.288 0.659 20 0 BCADHN CC(C)CN1CCN(C[C@H]2CCC(=O)O2)CC1 ZINC000821336663 587108933 /nfs/dbraw/zinc/10/89/33/587108933.db2.gz GRVFUOOSZGXEEA-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN O=C1CC[C@H](CN2CCC3(CC2)OCCO3)O1 ZINC000821355654 587111306 /nfs/dbraw/zinc/11/13/06/587111306.db2.gz WUOVWMQSAXAZDF-SNVBAGLBSA-N 0 3 241.287 0.531 20 0 BCADHN CNC(=O)CCN(C)Cc1ccc2nonc2c1 ZINC000821368049 587112683 /nfs/dbraw/zinc/11/26/83/587112683.db2.gz JLLOFGFHHKJQNV-UHFFFAOYSA-N 0 3 248.286 0.791 20 0 BCADHN C[C@H](O)CCN(C)C[C@H]1CCC(=O)O1 ZINC000821380459 587114459 /nfs/dbraw/zinc/11/44/59/587114459.db2.gz QHRKMWJONPAHEN-DTWKUNHWSA-N 0 3 201.266 0.395 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000821385861 587115472 /nfs/dbraw/zinc/11/54/72/587115472.db2.gz HHLKDOTZPCYFLF-GMTAPVOTSA-N 0 3 239.319 0.263 20 0 BCADHN COC(=O)[C@]1(C)CCN(C[C@H]2CCC(=O)O2)C1 ZINC000821387980 587115523 /nfs/dbraw/zinc/11/55/23/587115523.db2.gz ZYQVINRSQZYRFD-BXKDBHETSA-N 0 3 241.287 0.577 20 0 BCADHN CN(C[C@@H]1CCC(=O)O1)C1(C(N)=O)CCCC1 ZINC000821396166 587116540 /nfs/dbraw/zinc/11/65/40/587116540.db2.gz GZQQGGWJPFNNFU-VIFPVBQESA-N 0 3 240.303 0.422 20 0 BCADHN CN(C)CCNC(=O)Nc1cnsn1 ZINC000821429684 587119176 /nfs/dbraw/zinc/11/91/76/587119176.db2.gz PHZCLFSPBOYCRG-UHFFFAOYSA-N 0 3 215.282 0.221 20 0 BCADHN CN1CCC(NC(=O)Nc2cnsn2)CC1 ZINC000821429398 587119567 /nfs/dbraw/zinc/11/95/67/587119567.db2.gz LQFDUXZFQRFOBZ-UHFFFAOYSA-N 0 3 241.320 0.754 20 0 BCADHN CN(C)[C@@H]1[C@H]2CN(C(=O)c3coc(C=O)c3)C[C@H]21 ZINC000821757780 587136947 /nfs/dbraw/zinc/13/69/47/587136947.db2.gz GSHQKKRJGYPHII-GDNZZTSVSA-N 0 3 248.282 0.724 20 0 BCADHN COC(OC)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000821810600 587139620 /nfs/dbraw/zinc/13/96/20/587139620.db2.gz AESBGWJFZISESG-VIFPVBQESA-N 0 3 242.319 0.372 20 0 BCADHN CN(C)CCNC(=O)N[C@H]1COC2(CCC2)C1 ZINC000821892335 587145927 /nfs/dbraw/zinc/14/59/27/587145927.db2.gz GJTOQDTVOIPQNG-SNVBAGLBSA-N 0 3 241.335 0.559 20 0 BCADHN CC(=O)NC[C@H]1CCCCN1C[C@H](O)C1CC1 ZINC000860181689 589087657 /nfs/dbraw/zinc/08/76/57/589087657.db2.gz SLGQEDGIZZTCAX-OLZOCXBDSA-N 0 3 240.347 0.748 20 0 BCADHN CN(CC[C@@H]1CC1(Cl)Cl)CC(N)=O ZINC000822580306 587176054 /nfs/dbraw/zinc/17/60/54/587176054.db2.gz VNZRMELGSGHYSR-ZCFIWIBFSA-N 0 3 225.119 0.987 20 0 BCADHN COC/C=C/C(=O)NCCN1CCCC1 ZINC000822236760 587158454 /nfs/dbraw/zinc/15/84/54/587158454.db2.gz ORWXZSNYIVEJDH-SNAWJCMRSA-N 0 3 212.293 0.401 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)NC[C@H]1COCO1 ZINC000822569997 587175705 /nfs/dbraw/zinc/17/57/05/587175705.db2.gz ZZHUBXYTTPZVAF-QWRGUYRKSA-N 0 3 242.319 0.348 20 0 BCADHN O=C(CN1CCCC1)N1CC([C@@H]2CCOC2)C1 ZINC000822578375 587176145 /nfs/dbraw/zinc/17/61/45/587176145.db2.gz LLFFQHXRIMGUAM-LLVKDONJSA-N 0 3 238.331 0.577 20 0 BCADHN C[C@H](O)CCN1CCC(c2nnc[nH]2)CC1 ZINC000822677678 587180307 /nfs/dbraw/zinc/18/03/07/587180307.db2.gz ZKEUDEBPLQDHME-VIFPVBQESA-N 0 3 224.308 0.755 20 0 BCADHN c1cnc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)nc1 ZINC000822700260 587181893 /nfs/dbraw/zinc/18/18/93/587181893.db2.gz BJSVMPGCJLUICX-PRJMDXOYSA-N 0 3 229.243 0.950 20 0 BCADHN C[C@@H](O)CCNC1(C(N)=O)CCCC1 ZINC000822755059 587184008 /nfs/dbraw/zinc/18/40/08/587184008.db2.gz COUAOJGMMRTJLO-MRVPVSSYSA-N 0 3 200.282 0.145 20 0 BCADHN O=C(O[C@H]1CNOC1)C12CCCN(CCC1)C2 ZINC000822843455 587188619 /nfs/dbraw/zinc/18/86/19/587188619.db2.gz NOZIFSURUXIQNG-JTQLQIEISA-N 0 3 240.303 0.309 20 0 BCADHN CCC[C@@H](CC)C(=O)N[C@@H](CO)CN(C)C ZINC000822933439 587193890 /nfs/dbraw/zinc/19/38/90/587193890.db2.gz HXXJDRZDCJZASM-GHMZBOCLSA-N 0 3 230.352 0.851 20 0 BCADHN CCC[C@H](O)C(=O)NCC1(N(C)C)CC1 ZINC000822930807 587194024 /nfs/dbraw/zinc/19/40/24/587194024.db2.gz IMDXCWIVMCBVHB-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N[C@@H]2CC[C@H]2O)C1 ZINC000823044549 587199208 /nfs/dbraw/zinc/19/92/08/587199208.db2.gz HQNQBYSZOBRDPZ-GMTAPVOTSA-N 0 3 241.335 0.293 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)CC1(C)COC1 ZINC000823132184 587204100 /nfs/dbraw/zinc/20/41/00/587204100.db2.gz BINZVTTYCNDEQG-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCC[C@H](O)C(=O)N(C)C[C@H]1CCCN1C ZINC000823132252 587204338 /nfs/dbraw/zinc/20/43/38/587204338.db2.gz BYEWKOIIQYWCAI-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)CC1(C)COC1 ZINC000823132183 587204373 /nfs/dbraw/zinc/20/43/73/587204373.db2.gz BINZVTTYCNDEQG-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@](C)(O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000823132332 587204421 /nfs/dbraw/zinc/20/44/21/587204421.db2.gz CTVHHCGMLCXJMG-JQWIXIFHSA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@@H]1CN(C)CCN1CC[C@H]1CCOC1=O ZINC000823199847 587207951 /nfs/dbraw/zinc/20/79/51/587207951.db2.gz IFEDHMIOTQMHMN-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@](C)(O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000823275955 587213316 /nfs/dbraw/zinc/21/33/16/587213316.db2.gz IVDMOTPWHGFVJQ-DMDPSCGWSA-N 0 3 240.347 0.700 20 0 BCADHN CS/C=C\c1nc(N2CCNCC2)no1 ZINC000823334559 587216617 /nfs/dbraw/zinc/21/66/17/587216617.db2.gz HHRAZJLXNQSIPN-UQCOIBPSSA-N 0 3 226.305 0.813 20 0 BCADHN Cc1cnn(Cc2nc(N3CCNCC3)no2)c1 ZINC000823334600 587216752 /nfs/dbraw/zinc/21/67/52/587216752.db2.gz IRKFXJMAUZXKFJ-UHFFFAOYSA-N 0 3 248.290 0.032 20 0 BCADHN c1nc(-c2nc(N3CCNCC3)no2)co1 ZINC000823335688 587217163 /nfs/dbraw/zinc/21/71/63/587217163.db2.gz WEPNYVBMZBFGHT-UHFFFAOYSA-N 0 3 221.220 0.134 20 0 BCADHN CC1=NO[C@@H](C(=O)NCCN(C)C2CC2)C1 ZINC000823607054 587232638 /nfs/dbraw/zinc/23/26/38/587232638.db2.gz CODJVJPCBSKCSV-SNVBAGLBSA-N 0 3 225.292 0.362 20 0 BCADHN C[C@@H](CNC(=O)C1(Br)CC1)N(C)C ZINC000824042166 587251429 /nfs/dbraw/zinc/25/14/29/587251429.db2.gz ZLQUVUKEQCFIDA-ZETCQYMHSA-N 0 3 249.152 0.980 20 0 BCADHN CN(C)[C@H]1C[C@@H](CNC(=O)c2cc(=O)cc[nH]2)C1 ZINC000824271104 587264122 /nfs/dbraw/zinc/26/41/22/587264122.db2.gz QWYLPKIDQDSQST-AOOOYVTPSA-N 0 3 249.314 0.445 20 0 BCADHN CCN(CC)CC(=O)NCCCN(C)OC ZINC000824524231 587273101 /nfs/dbraw/zinc/27/31/01/587273101.db2.gz TWHZDKJJDNHQES-UHFFFAOYSA-N 0 3 231.340 0.328 20 0 BCADHN CCCN1CC[C@H](NC(=O)CN2CCCC2)C1 ZINC000824681660 587282494 /nfs/dbraw/zinc/28/24/94/587282494.db2.gz OQXFROHPPVHCEY-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN CCC[C@H](O)C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000824840492 587287651 /nfs/dbraw/zinc/28/76/51/587287651.db2.gz AKVPOLSBYPREMA-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN CCCN1CC[C@H](NC(=O)c2cc(=O)cc[nH]2)C1 ZINC000825625236 587327849 /nfs/dbraw/zinc/32/78/49/587327849.db2.gz HTWMPHOXGDIOHU-JTQLQIEISA-N 0 3 249.314 0.589 20 0 BCADHN OCC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826508232 587352918 /nfs/dbraw/zinc/35/29/18/587352918.db2.gz IREMBLGTFPDUAD-UHFFFAOYSA-N 0 3 245.286 0.481 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2OC)C[C@H](C)N1 ZINC000826678634 587359035 /nfs/dbraw/zinc/35/90/35/587359035.db2.gz DIABGOOKPDUCBX-LNFKQOIKSA-N 0 3 226.320 0.620 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000826704999 587359387 /nfs/dbraw/zinc/35/93/87/587359387.db2.gz UUOAUEXYZPJECM-VHSXEESVSA-N 0 3 243.270 0.553 20 0 BCADHN CCC[C@H](O)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000826762059 587361361 /nfs/dbraw/zinc/36/13/61/587361361.db2.gz DMJHQYJYORUDNQ-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@@](C)(O)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000826762144 587361422 /nfs/dbraw/zinc/36/14/22/587361422.db2.gz DNCRKXLMBBLAAP-CMPLNLGQSA-N 0 3 228.336 0.604 20 0 BCADHN O=C(Cc1ncc[nH]1)N[C@@H]1CCN(CC2CC2)C1 ZINC000826866809 587364419 /nfs/dbraw/zinc/36/44/19/587364419.db2.gz DZWOAYVZGDLTRC-LLVKDONJSA-N 0 3 248.330 0.553 20 0 BCADHN CN1CCC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC000826878496 587364698 /nfs/dbraw/zinc/36/46/98/587364698.db2.gz ZJKSHJDTFASJSZ-SNVBAGLBSA-N 0 3 236.319 0.410 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@H]1CCC=CO1 ZINC000826962678 587366833 /nfs/dbraw/zinc/36/68/33/587366833.db2.gz MXJPXYZHIIQJOX-OUAUKWLOSA-N 0 3 241.287 0.599 20 0 BCADHN Cc1cc(NC(=O)[C@@]2(F)CCNC2)n[nH]1 ZINC000827201820 587372434 /nfs/dbraw/zinc/37/24/34/587372434.db2.gz UCECSOYYDAZHLT-SECBINFHSA-N 0 3 212.228 0.358 20 0 BCADHN Cc1cc(NC(=O)[C@]2(F)CCNC2)n[nH]1 ZINC000827201824 587372537 /nfs/dbraw/zinc/37/25/37/587372537.db2.gz UCECSOYYDAZHLT-VIFPVBQESA-N 0 3 212.228 0.358 20 0 BCADHN CC1=NO[C@@H](C(=O)NC[C@H]2CCCN2C)C1 ZINC000827549576 587387011 /nfs/dbraw/zinc/38/70/11/587387011.db2.gz OVNHGSCUCWGSRO-NXEZZACHSA-N 0 3 225.292 0.362 20 0 BCADHN COC(=O)[C@H]1C[C@H](NCc2cc(C)nn2C)C1 ZINC000827812915 587404336 /nfs/dbraw/zinc/40/43/36/587404336.db2.gz ZHKJWISQUFZYQI-MGCOHNPYSA-N 0 3 237.303 0.770 20 0 BCADHN CCN1CCCN(CC[S@@](C)=O)CC1 ZINC000827857260 587405742 /nfs/dbraw/zinc/40/57/42/587405742.db2.gz QXMWQBRAXSOJBT-CQSZACIVSA-N 0 3 218.366 0.393 20 0 BCADHN CC(C)N1CCCN(CC[S@@](C)=O)CC1 ZINC000827870426 587406097 /nfs/dbraw/zinc/40/60/97/587406097.db2.gz IKWFBSBMMCFJQS-OAHLLOKOSA-N 0 3 232.393 0.781 20 0 BCADHN O=C(Nc1ccc[nH]c1=O)[C@@]1(F)CCNC1 ZINC000827947492 587412484 /nfs/dbraw/zinc/41/24/84/587412484.db2.gz UIROADKWRGZKQJ-SNVBAGLBSA-N 0 3 225.223 0.427 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1ccc[nH]c1=O ZINC000827947237 587412632 /nfs/dbraw/zinc/41/26/32/587412632.db2.gz LGAONITVRHBSLT-SSDOTTSWSA-N 0 3 221.260 0.866 20 0 BCADHN CCN1CC[C@H]2CC[C@@H](C1)N2CC[S@@](C)=O ZINC000827981042 587414943 /nfs/dbraw/zinc/41/49/43/587414943.db2.gz VZNASPWKVKKREN-BFQNTYOBSA-N 0 3 244.404 0.924 20 0 BCADHN C[NH+](C)CCCN[C@@H]1CCN(C(=O)[O-])C1 ZINC000828023896 587416970 /nfs/dbraw/zinc/41/69/70/587416970.db2.gz HTZXIIMSIKNVMC-SECBINFHSA-N 0 3 215.297 0.280 20 0 BCADHN COc1cccnc1NC(=O)[C@@]1(F)CCNC1 ZINC000828049085 587417893 /nfs/dbraw/zinc/41/78/93/587417893.db2.gz LALLMXMXTLGWDA-LLVKDONJSA-N 0 3 239.250 0.730 20 0 BCADHN C[S@](=O)CCN1CC[C@@H](O)C12CCCC2 ZINC000828575853 587450563 /nfs/dbraw/zinc/45/05/63/587450563.db2.gz QYHFVMSTKSYGCV-BMIGLBTASA-N 0 3 231.361 0.744 20 0 BCADHN C[S@](=O)CCN1CC[C@H](O)C12CCCC2 ZINC000828575854 587450635 /nfs/dbraw/zinc/45/06/35/587450635.db2.gz QYHFVMSTKSYGCV-BONVTDFDSA-N 0 3 231.361 0.744 20 0 BCADHN CN(CC[S@](C)=O)C1(CO)CCC1 ZINC000828571129 587451101 /nfs/dbraw/zinc/45/11/01/587451101.db2.gz LBVVDUJSWZJDQW-ZDUSSCGKSA-N 0 3 205.323 0.212 20 0 BCADHN C[C@@H]1CN(CC[S@@](C)=O)CCN(C2CC2)C1 ZINC000828581102 587451758 /nfs/dbraw/zinc/45/17/58/587451758.db2.gz GJRMKODWSNZKNU-BDJLRTHQSA-N 0 3 244.404 0.781 20 0 BCADHN COC[C@@]1(C)CCN(CC[S@](C)=O)C1 ZINC000828588247 587452423 /nfs/dbraw/zinc/45/24/23/587452423.db2.gz YFNHMOHHKKEJMB-HZMBPMFUSA-N 0 3 219.350 0.723 20 0 BCADHN C[S@](=O)CCN1CC[C@@H](CCCO)C1 ZINC000828613315 587454202 /nfs/dbraw/zinc/45/42/02/587454202.db2.gz BBQYCCDNFZLIKY-YGRLFVJLSA-N 0 3 219.350 0.459 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@@H](C)NC1CC1 ZINC000828883408 587468445 /nfs/dbraw/zinc/46/84/45/587468445.db2.gz LCXRJPVUALKACD-SECBINFHSA-N 0 3 242.319 0.586 20 0 BCADHN CC(C)C[C@H](CO)N(C)CC[S@@](C)=O ZINC000828954349 587475321 /nfs/dbraw/zinc/47/53/21/587475321.db2.gz SUAMEXNODCETQH-QMTHXVAHSA-N 0 3 221.366 0.704 20 0 BCADHN CC(C)C[C@@H](CO)N(C)CC[S@@](C)=O ZINC000828954347 587475384 /nfs/dbraw/zinc/47/53/84/587475384.db2.gz SUAMEXNODCETQH-IINYFYTJSA-N 0 3 221.366 0.704 20 0 BCADHN CC[C@H](N)C(=O)NCCn1ccnc1C(C)C ZINC000828966015 587476361 /nfs/dbraw/zinc/47/63/61/587476361.db2.gz UQBLOQKGFSKIBD-JTQLQIEISA-N 0 3 238.335 0.860 20 0 BCADHN CNCC(=O)NCCn1ccnc1C(C)C ZINC000828965658 587476415 /nfs/dbraw/zinc/47/64/15/587476415.db2.gz OCRFPLVNCORMMX-UHFFFAOYSA-N 0 3 224.308 0.342 20 0 BCADHN CC[C@@H](N)C(=O)NCCn1ccnc1C(C)C ZINC000828966016 587476439 /nfs/dbraw/zinc/47/64/39/587476439.db2.gz UQBLOQKGFSKIBD-SNVBAGLBSA-N 0 3 238.335 0.860 20 0 BCADHN [NH3+]CCCCCC(=O)Nc1ccncc1[O-] ZINC000828974459 587476923 /nfs/dbraw/zinc/47/69/23/587476923.db2.gz UTYPKRTZSYVHOI-UHFFFAOYSA-N 0 3 223.276 0.667 20 0 BCADHN C[C@@H]1CC[C@@](CO)(N(C)CC[S@](C)=O)C1 ZINC000828992747 587478087 /nfs/dbraw/zinc/47/80/87/587478087.db2.gz YPPZMZLEIRBTSK-HFAKWTLXSA-N 0 3 233.377 0.848 20 0 BCADHN COCC[C@@H](C)N1CC(C)(C(N)=O)C1 ZINC000829054686 587480869 /nfs/dbraw/zinc/48/08/69/587480869.db2.gz UZBYVNHVDABDOU-MRVPVSSYSA-N 0 3 200.282 0.219 20 0 BCADHN O[C@@H](CN1CCO[C@@]2(CCSC2)C1)C1CC1 ZINC000829249215 587489931 /nfs/dbraw/zinc/48/99/31/587489931.db2.gz DYFALZWQWIGWCC-RYUDHWBXSA-N 0 3 243.372 0.965 20 0 BCADHN O=C(Nc1ccc2nccn2c1)[C@@]1(F)CCNC1 ZINC000829463866 587498881 /nfs/dbraw/zinc/49/88/81/587498881.db2.gz SAHLBPHSZMBGOH-GFCCVEGCSA-N 0 3 248.261 0.974 20 0 BCADHN CCc1cc(CNC(=O)[C@H](N)CC(F)F)[nH]n1 ZINC000829500564 587500645 /nfs/dbraw/zinc/50/06/45/587500645.db2.gz NFNCLSSZNFQNOT-MRVPVSSYSA-N 0 3 246.261 0.571 20 0 BCADHN CCc1cc(CNC(=O)[C@H](N)CC(F)F)n[nH]1 ZINC000829500564 587500647 /nfs/dbraw/zinc/50/06/47/587500647.db2.gz NFNCLSSZNFQNOT-MRVPVSSYSA-N 0 3 246.261 0.571 20 0 BCADHN CC(C)CN(CC1CCN(C)CC1)C(=O)CO ZINC000829583649 587505116 /nfs/dbraw/zinc/50/51/16/587505116.db2.gz JDBPTPRPFGWPIC-UHFFFAOYSA-N 0 3 242.363 0.805 20 0 BCADHN C[C@@H](C(=O)N1CC=C(N)N1)N1[C@H](C)CC[C@H]1C ZINC000829831217 587521370 /nfs/dbraw/zinc/52/13/70/587521370.db2.gz JKHUMZCIHUJMGW-BBBLOLIVSA-N 0 3 238.335 0.395 20 0 BCADHN CN(CCC(C)(C)C)CCS(N)(=O)=O ZINC000829933095 587528453 /nfs/dbraw/zinc/52/84/53/587528453.db2.gz ZNJFSXDIGTVCGU-UHFFFAOYSA-N 0 3 222.354 0.643 20 0 BCADHN CCN(CC[S@](C)=O)C[C@H](C)OC ZINC000829980491 587530779 /nfs/dbraw/zinc/53/07/79/587530779.db2.gz WZCWDHBBRHDUFR-ZANVPECISA-N 0 3 207.339 0.722 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)/C=C\c2cn(C)cn2)CCN1C ZINC000830111164 587536505 /nfs/dbraw/zinc/53/65/05/587536505.db2.gz LWWUBNXOOQGEJG-SFLCEZBHSA-N 0 3 248.330 0.642 20 0 BCADHN CCn1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)nn1 ZINC000830111149 587536510 /nfs/dbraw/zinc/53/65/10/587536510.db2.gz LUXAVELMFXZEJL-BDAKNGLRSA-N 0 3 237.307 0.120 20 0 BCADHN CC[C@](C)(O)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000830118111 587537217 /nfs/dbraw/zinc/53/72/17/587537217.db2.gz VRFOBDAHCZAPAM-KKZNHRDASA-N 0 3 214.309 0.356 20 0 BCADHN CC(=O)NCCN(C)CC[C@@H]1CCOC1=O ZINC000830131666 587538021 /nfs/dbraw/zinc/53/80/21/587538021.db2.gz YFKAZSHBLIARMT-SNVBAGLBSA-N 0 3 228.292 0.008 20 0 BCADHN COC[C@@H](NC(=O)[C@]1(F)CCNC1)C(C)C ZINC000830428054 587551447 /nfs/dbraw/zinc/55/14/47/587551447.db2.gz ATVUZZSMDZVORW-KOLCDFICSA-N 0 3 232.299 0.475 20 0 BCADHN C[C@@H](CO)CN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830915211 587576834 /nfs/dbraw/zinc/57/68/34/587576834.db2.gz BVYLUEVLOQGWDY-BBBLOLIVSA-N 0 3 228.292 0.045 20 0 BCADHN COCC[C@@H](C)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830943284 587578536 /nfs/dbraw/zinc/57/85/36/587578536.db2.gz CONNRTVCJXMVPJ-MXWKQRLJSA-N 0 3 242.319 0.842 20 0 BCADHN NS(=O)(=O)CCN1CCCC[C@H]1C1CCC1 ZINC000830987487 587579979 /nfs/dbraw/zinc/57/99/79/587579979.db2.gz DYPTWYYEXLLHPZ-NSHDSACASA-N 0 3 246.376 0.930 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1CC[C@H]1CCOC1=O ZINC000831003885 587581561 /nfs/dbraw/zinc/58/15/61/587581561.db2.gz JNAWNLROYWPIQX-OUAUKWLOSA-N 0 3 227.304 0.785 20 0 BCADHN Cc1noc(C)c1CCCNC(=O)[C@H](C)N ZINC000831143438 587587832 /nfs/dbraw/zinc/58/78/32/587587832.db2.gz QZQSJWIVBOJFGO-ZETCQYMHSA-N 0 3 225.292 0.687 20 0 BCADHN O=C(N1CC[C@]2(CCOC2)C1)[C@]1(F)CCNC1 ZINC000831217541 587592687 /nfs/dbraw/zinc/59/26/87/587592687.db2.gz BITDRAWZLYGQBO-RYUDHWBXSA-N 0 3 242.294 0.327 20 0 BCADHN CC[C@H](C[C@H](C)O)NC(=O)[C@@H](CC)N(C)C ZINC000831285752 587593401 /nfs/dbraw/zinc/59/34/01/587593401.db2.gz GDCTVULLXKDXFE-HBNTYKKESA-N 0 3 230.352 0.992 20 0 BCADHN CC[C@@H](C[C@@H](C)O)NC(=O)Cc1nc[nH]c1C ZINC000831311404 587597744 /nfs/dbraw/zinc/59/77/44/587597744.db2.gz OCJMYIKTYCLUIP-SCZZXKLOSA-N 0 3 239.319 0.926 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@@H]2CCC(=O)NC2=O)C1(C)C ZINC000831338339 587599570 /nfs/dbraw/zinc/59/95/70/587599570.db2.gz HVGQEEMLGLSJCI-IWSPIJDZSA-N 0 3 240.303 0.195 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@]2(F)CCNC2)CCO1 ZINC000831502274 587614987 /nfs/dbraw/zinc/61/49/87/587614987.db2.gz KFHPHRGCNNREFY-YWVKMMECSA-N 0 3 230.283 0.372 20 0 BCADHN O=C(N[C@@H]1CCCOCC1)[C@@]1(F)CCNC1 ZINC000831517244 587616040 /nfs/dbraw/zinc/61/60/40/587616040.db2.gz AGKUQFKMABYAOY-MWLCHTKSSA-N 0 3 230.283 0.373 20 0 BCADHN CO[C@@H]1CCC[C@H]1CNC(=O)[C@]1(F)CCNC1 ZINC000831518469 587616118 /nfs/dbraw/zinc/61/61/18/587616118.db2.gz UWOMMLRFSNPDAP-UMNHJUIQSA-N 0 3 244.310 0.619 20 0 BCADHN C[C@H]1CN(C(=O)c2cccc[n+]2[O-])[C@@H](C)CN1 ZINC000831546020 587618042 /nfs/dbraw/zinc/61/80/42/587618042.db2.gz HECCGIMJISJNDE-UWVGGRQHSA-N 0 3 235.287 0.142 20 0 BCADHN CCO[C@H](CNC(=O)C1(F)CC1)CN(C)C ZINC000831707751 587628312 /nfs/dbraw/zinc/62/83/12/587628312.db2.gz LEUAANSXRSPNAD-SECBINFHSA-N 0 3 232.299 0.571 20 0 BCADHN C/C=C/[C@H](O)C(=O)NC[C@@H](CN(C)C)OCC ZINC000831707925 587628404 /nfs/dbraw/zinc/62/84/04/587628404.db2.gz OWQYKLYIRFZBKN-BZCKNUJPSA-N 0 3 244.335 0.006 20 0 BCADHN CCO[C@H](CNC(=O)[C@H]1CC12CC2)CN(C)C ZINC000831707815 587628425 /nfs/dbraw/zinc/62/84/25/587628425.db2.gz NDYJIFALRBPVNT-GHMZBOCLSA-N 0 3 240.347 0.869 20 0 BCADHN C/C=C\C(=O)NC[C@H](CN(C)C)OCC ZINC000831707686 587628662 /nfs/dbraw/zinc/62/86/62/587628662.db2.gz KGXCDRPXAHZORF-ONRRBMGISA-N 0 3 214.309 0.645 20 0 BCADHN CCO[C@H](CNC(=O)[C@H](O)C(C)C)CN(C)C ZINC000831718005 587629111 /nfs/dbraw/zinc/62/91/11/587629111.db2.gz HZDCWBWQVZCSLW-GHMZBOCLSA-N 0 3 246.351 0.086 20 0 BCADHN CCO[C@H](CNC(=O)c1cc[nH]c1)CN(C)C ZINC000831751892 587629565 /nfs/dbraw/zinc/62/95/65/587629565.db2.gz RSMBXDGYUXKDKF-LLVKDONJSA-N 0 3 239.319 0.711 20 0 BCADHN CCO[C@@H](CNC(=O)[C@H]1CCCO1)CN(C)C ZINC000831739278 587629595 /nfs/dbraw/zinc/62/95/95/587629595.db2.gz VIPXXNGYQFVAPX-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN O=C(N[C@@H]1C[C@H]1C1CCC1)[C@@]1(F)CCNC1 ZINC000831759126 587630160 /nfs/dbraw/zinc/63/01/60/587630160.db2.gz FCSSXUDXMMPBGB-HOSYDEDBSA-N 0 3 226.295 0.993 20 0 BCADHN CCO[C@H](CNC(=O)c1cocn1)CN(C)C ZINC000831752772 587630194 /nfs/dbraw/zinc/63/01/94/587630194.db2.gz ZYZLVWNFMBURGO-SECBINFHSA-N 0 3 241.291 0.371 20 0 BCADHN CCO[C@H](CNC(=O)c1cn[nH]c1)CN(C)C ZINC000831757081 587630403 /nfs/dbraw/zinc/63/04/03/587630403.db2.gz NJAQDHMFWAWTBD-SNVBAGLBSA-N 0 3 240.307 0.106 20 0 BCADHN CCO[C@@H](CNC(=O)c1cocn1)CN(C)C ZINC000831752773 587630406 /nfs/dbraw/zinc/63/04/06/587630406.db2.gz ZYZLVWNFMBURGO-VIFPVBQESA-N 0 3 241.291 0.371 20 0 BCADHN CCO[C@H](CNC(=O)c1ccc[nH]1)CN(C)C ZINC000831771485 587631536 /nfs/dbraw/zinc/63/15/36/587631536.db2.gz MAWKNRZXAYKTNT-SNVBAGLBSA-N 0 3 239.319 0.711 20 0 BCADHN CCO[C@@H](CNC(=O)c1ccco1)CN(C)C ZINC000831776840 587631604 /nfs/dbraw/zinc/63/16/04/587631604.db2.gz NFZGEHWWWGJQTR-JTQLQIEISA-N 0 3 240.303 0.976 20 0 BCADHN CNCC(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC000831921123 587637120 /nfs/dbraw/zinc/63/71/20/587637120.db2.gz HONGKXLHFJKREB-UFBFGSQYSA-N 0 3 240.278 0.583 20 0 BCADHN O=C(NCC[C@@H]1CCCCO1)[C@@]1(F)CCNC1 ZINC000831953308 587638411 /nfs/dbraw/zinc/63/84/11/587638411.db2.gz YYVIFPAHTPYCLU-CMPLNLGQSA-N 0 3 244.310 0.763 20 0 BCADHN Cc1nc(C)c(CNC(=O)[C@@]2(F)CCNC2)o1 ZINC000831960076 587639179 /nfs/dbraw/zinc/63/91/79/587639179.db2.gz DPHAFBQVIQFSPD-LLVKDONJSA-N 0 3 241.266 0.609 20 0 BCADHN CCOC[C@@H](NC(=O)[C@@]1(F)CCNC1)C(C)C ZINC000831961619 587639314 /nfs/dbraw/zinc/63/93/14/587639314.db2.gz YMISHLLGRABHCX-ZYHUDNBSSA-N 0 3 246.326 0.865 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)[C@H](N)CC(F)F ZINC000831970398 587639955 /nfs/dbraw/zinc/63/99/55/587639955.db2.gz FYXCRZLRRPBKLA-RKDXNWHRSA-N 0 3 249.305 0.569 20 0 BCADHN COCCC(C)(C)CNC(=O)[C@@]1(F)CCNC1 ZINC000832002358 587642259 /nfs/dbraw/zinc/64/22/59/587642259.db2.gz IQJXAWDGCUIPKS-GFCCVEGCSA-N 0 3 246.326 0.867 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@]2(F)CCNC2)no1 ZINC000832145600 587646519 /nfs/dbraw/zinc/64/65/19/587646519.db2.gz QKYFELJWTLSYID-JTQLQIEISA-N 0 3 242.254 0.038 20 0 BCADHN Cc1nc(=NC(=O)c2cccc(CN)c2)n(C)[nH]1 ZINC000832152256 587646536 /nfs/dbraw/zinc/64/65/36/587646536.db2.gz OCGZHXMQUABWCZ-UHFFFAOYSA-N 0 3 245.286 0.256 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(N)c(OC)c1 ZINC000832305918 587653848 /nfs/dbraw/zinc/65/38/48/587653848.db2.gz UKOOYGBHIWRGJG-MRVPVSSYSA-N 0 3 223.276 0.953 20 0 BCADHN CCC[C@H](O)CCNC(=O)CN(CC)CC ZINC000832636703 587671592 /nfs/dbraw/zinc/67/15/92/587671592.db2.gz HMSFLFWWPKWSDN-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN CCC[C@H](O)CCNC(=O)CN(C)C(C)C ZINC000832639098 587671813 /nfs/dbraw/zinc/67/18/13/587671813.db2.gz YUDXYLWFUGLQBH-NSHDSACASA-N 0 3 230.352 0.994 20 0 BCADHN CCC[C@H](O)CCNC(=O)CN(C)CCC ZINC000832642567 587673034 /nfs/dbraw/zinc/67/30/34/587673034.db2.gz HPCRDAKBRUECIX-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN CN(C)C1(CNC(=O)Cc2ncc[nH]2)CCC1 ZINC000832696811 587677937 /nfs/dbraw/zinc/67/79/37/587677937.db2.gz OVAUHZGDIYJSRH-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN CN(C)C1(CN(C)C(=O)[C@H](O)C2CC2)CCC1 ZINC000832717098 587678966 /nfs/dbraw/zinc/67/89/66/587678966.db2.gz XNRNNJIKCPSZNO-LLVKDONJSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc(N)cc2[O-])CC[C@@H]1[NH3+] ZINC000832736832 587681358 /nfs/dbraw/zinc/68/13/58/587681358.db2.gz CPTSYVLRDREPAI-KCJUWKMLSA-N 0 3 249.314 0.784 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc(N)cc2[O-])CC[C@H]1[NH3+] ZINC000832736834 587681413 /nfs/dbraw/zinc/68/14/13/587681413.db2.gz CPTSYVLRDREPAI-LDYMZIIASA-N 0 3 249.314 0.784 20 0 BCADHN COC[C@H]1CCCN(CC(=O)N(C)OC)CC1 ZINC000832744649 587682582 /nfs/dbraw/zinc/68/25/82/587682582.db2.gz GCSOYHCONWWMEV-NSHDSACASA-N 0 3 244.335 0.755 20 0 BCADHN C[S@@](=O)CCN1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000832778062 587689008 /nfs/dbraw/zinc/68/90/08/587689008.db2.gz GWIOOGGPIKHDBF-HFBDOXOYSA-N 0 3 231.361 0.722 20 0 BCADHN C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000834635858 587762382 /nfs/dbraw/zinc/76/23/82/587762382.db2.gz KTYTVLWBOJAVDP-GZMMTYOYSA-N 0 3 249.314 0.702 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1C[C@H](O)C1)N(C)C ZINC000834762774 587766217 /nfs/dbraw/zinc/76/62/17/587766217.db2.gz GBLGFZYNJJBKSQ-OPRDCNLKSA-N 0 3 214.309 0.214 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1C[C@H](O)C1)N(C)C ZINC000834762773 587766279 /nfs/dbraw/zinc/76/62/79/587766279.db2.gz GBLGFZYNJJBKSQ-GUBZILKMSA-N 0 3 214.309 0.214 20 0 BCADHN CS[C@H](C)COC(=O)C1CCN(C)C1=O ZINC000835686178 587812979 /nfs/dbraw/zinc/81/29/79/587812979.db2.gz SGQVLVWOAVAJJH-HTQZYQBOSA-N 0 3 231.317 0.759 20 0 BCADHN Cc1nsc(C(=O)NC(C)(C)CN(C)C)n1 ZINC000836249333 587829768 /nfs/dbraw/zinc/82/97/68/587829768.db2.gz IWCWBDDIUBASRE-UHFFFAOYSA-N 0 3 242.348 0.917 20 0 BCADHN CC[C@@H](CO)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000837193633 587858705 /nfs/dbraw/zinc/85/87/05/587858705.db2.gz XVMULLJILPFGRN-NWDGAFQWSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](CO)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000837193635 587858869 /nfs/dbraw/zinc/85/88/69/587858869.db2.gz XVMULLJILPFGRN-VXGBXAGGSA-N 0 3 242.363 0.946 20 0 BCADHN CO[C@H](C)CC(=O)NC(C)(C)CN(C)C ZINC000837239509 587860805 /nfs/dbraw/zinc/86/08/05/587860805.db2.gz SOMOBUIBQKFPBL-SECBINFHSA-N 0 3 216.325 0.868 20 0 BCADHN CC[C@H](CO)C(=O)NC(C)(C)CN(C)C ZINC000837239284 587860843 /nfs/dbraw/zinc/86/08/43/587860843.db2.gz NYEHGBSJNFHRQZ-SECBINFHSA-N 0 3 216.325 0.461 20 0 BCADHN COC/C=C/C(=O)NC(C)(C)CN(C)C ZINC000837245458 587860963 /nfs/dbraw/zinc/86/09/63/587860963.db2.gz INGGZXMZWXHSII-VOTSOKGWSA-N 0 3 214.309 0.645 20 0 BCADHN CC(=O)CCCOC(=O)C1CCCN(C)C1=O ZINC000837956552 587905386 /nfs/dbraw/zinc/90/53/86/587905386.db2.gz XBKQADCYTBXYBE-SNVBAGLBSA-N 0 3 241.287 0.767 20 0 BCADHN CCOCCCOC(=O)C1CCCN(C)C1=O ZINC000837956494 587905466 /nfs/dbraw/zinc/90/54/66/587905466.db2.gz NZZNYMOYYANWLC-SNVBAGLBSA-N 0 3 243.303 0.825 20 0 BCADHN CSCCOC(=O)C1CCCN(C)C1=O ZINC000837955115 587905798 /nfs/dbraw/zinc/90/57/98/587905798.db2.gz HKXDIUCKHWLLNR-QMMMGPOBSA-N 0 3 231.317 0.761 20 0 BCADHN CC/C=C(/F)C(=O)NCCOCCN(C)C ZINC000867242970 587906068 /nfs/dbraw/zinc/90/60/68/587906068.db2.gz JNWJOBDSLGFGIL-BJMVGYQFSA-N 0 3 232.299 0.944 20 0 BCADHN COC[C@H](C)OC(=O)C1CCCN(C)C1=O ZINC000837959074 587906100 /nfs/dbraw/zinc/90/61/00/587906100.db2.gz LTEAUKBRZMJHGK-IUCAKERBSA-N 0 3 229.276 0.433 20 0 BCADHN C[C@H](NCCS(=O)(=O)C1CC1)C1CC1 ZINC000840881200 587927530 /nfs/dbraw/zinc/92/75/30/587927530.db2.gz HDXQVKYMKHDXHI-QMMMGPOBSA-N 0 3 217.334 0.952 20 0 BCADHN CC1CC(NCCS(=O)(=O)C2CC2)C1 ZINC000840882263 587928332 /nfs/dbraw/zinc/92/83/32/587928332.db2.gz HOFDKXWAEBVQEQ-UHFFFAOYSA-N 0 3 217.334 0.952 20 0 BCADHN COCC(C)(C)CNCCS(=O)(=O)C1CC1 ZINC000840966692 587932189 /nfs/dbraw/zinc/93/21/89/587932189.db2.gz XTKAMFLFSLJNOO-UHFFFAOYSA-N 0 3 249.376 0.826 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1cnsn1 ZINC000841239025 587949721 /nfs/dbraw/zinc/94/97/21/587949721.db2.gz SSCBXLKTBUCKMF-NKWVEPMBSA-N 0 3 241.320 0.752 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H](O)C(C)(C)C)CC1 ZINC000841455708 587955972 /nfs/dbraw/zinc/95/59/72/587955972.db2.gz ZIRSRHDBCKWUDV-SECBINFHSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)CONC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000841862865 587976197 /nfs/dbraw/zinc/97/61/97/587976197.db2.gz CRVXBDOWXXLZOW-UWVGGRQHSA-N 0 3 229.324 0.966 20 0 BCADHN C[C@H]1NCCN(C(=O)NOCC2CC2)[C@H]1C ZINC000841906333 587983505 /nfs/dbraw/zinc/98/35/05/587983505.db2.gz GEAKSOHOOCTVPT-BDAKNGLRSA-N 0 3 227.308 0.720 20 0 BCADHN CC[C@@H](CNC1(C(N)=O)CCCC1)OC ZINC000842152893 588004002 /nfs/dbraw/zinc/00/40/02/588004002.db2.gz KBFKHNOVSZVTBD-VIFPVBQESA-N 0 3 214.309 0.799 20 0 BCADHN CON(C)C(=O)CN1C[C@H](C)[C@H](C)[C@@H]1C ZINC000842166357 588005596 /nfs/dbraw/zinc/00/55/96/588005596.db2.gz KSGBJUVQMSKEKC-GUBZILKMSA-N 0 3 214.309 0.983 20 0 BCADHN CON(C)C(=O)CN1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000842166356 588005646 /nfs/dbraw/zinc/00/56/46/588005646.db2.gz KSGBJUVQMSKEKC-AEJSXWLSSA-N 0 3 214.309 0.983 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)NCCCC(C)(C)C ZINC000842177689 588006736 /nfs/dbraw/zinc/00/67/36/588006736.db2.gz JWXULKXHXZAXSN-VIFPVBQESA-N 0 3 243.351 0.392 20 0 BCADHN Cc1cc(CN[C@H](CO)[C@@H](C)O)cnc1Cl ZINC000842221564 588007684 /nfs/dbraw/zinc/00/76/84/588007684.db2.gz UEXNRHCIDVWTAL-PSASIEDQSA-N 0 3 244.722 0.875 20 0 BCADHN CC(C)[C@H](F)C(=O)NC[C@@](C)(O)CCN(C)C ZINC000842251252 588009257 /nfs/dbraw/zinc/00/92/57/588009257.db2.gz OIDMAOONCAPNHZ-JQWIXIFHSA-N 0 3 248.342 0.799 20 0 BCADHN CC[C@H](C(=O)NCCN1CCC[C@H]1C)[C@H](C)O ZINC000842250805 588009308 /nfs/dbraw/zinc/00/93/08/588009308.db2.gz LLVSVBMQUNEBST-WOPDTQHZSA-N 0 3 242.363 0.994 20 0 BCADHN CN(CC[NH3+])C(=O)c1nnc2ccccc2c1[O-] ZINC000842509170 588031545 /nfs/dbraw/zinc/03/15/45/588031545.db2.gz HFGHYXZCVZWIBP-UHFFFAOYSA-N 0 3 246.270 0.366 20 0 BCADHN C[NH2+]CCCN(C)C(=O)c1ccc(N)cc1[O-] ZINC000842512298 588032355 /nfs/dbraw/zinc/03/23/55/588032355.db2.gz JLHBUXGIEBDEHS-UHFFFAOYSA-N 0 3 237.303 0.656 20 0 BCADHN COc1ncncc1CNC[C@H]1CCOC1 ZINC000842672107 588051183 /nfs/dbraw/zinc/05/11/83/588051183.db2.gz XUMNDMQROCVDSX-SECBINFHSA-N 0 3 223.276 0.611 20 0 BCADHN C[C@@H]1C[C@H](NCCS(=O)(=O)C2CC2)CO1 ZINC000842710701 588054836 /nfs/dbraw/zinc/05/48/36/588054836.db2.gz BYAGANHRXAWLHC-BDAKNGLRSA-N 0 3 233.333 0.331 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CCO[C@H](C)C1 ZINC000842768652 588061407 /nfs/dbraw/zinc/06/14/07/588061407.db2.gz CVCLDLYWTLLOBX-NXEZZACHSA-N 0 3 230.308 0.553 20 0 BCADHN C[C@@H](CCO)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000842884844 588070756 /nfs/dbraw/zinc/07/07/56/588070756.db2.gz LCPAJDMRPJHMDP-VHSXEESVSA-N 0 3 228.336 0.746 20 0 BCADHN COc1ccccc1[C@H](O)CNC[C@@H](C)O ZINC000843065861 588077715 /nfs/dbraw/zinc/07/77/15/588077715.db2.gz QULQGROAWZGZPT-MWLCHTKSSA-N 0 3 225.288 0.699 20 0 BCADHN CC[C@@H](O)CNC[C@H](O)c1ccc(C)o1 ZINC000843087683 588078283 /nfs/dbraw/zinc/07/82/83/588078283.db2.gz MHDJXVQNFQELKJ-ZJUUUORDSA-N 0 3 213.277 0.982 20 0 BCADHN Cc1ccccc1[C@@H](O)CN[C@H](CO)[C@@H](C)O ZINC000843062988 588078490 /nfs/dbraw/zinc/07/84/90/588078490.db2.gz UUCZSQPTISGPHT-RTXFEEFZSA-N 0 3 239.315 0.360 20 0 BCADHN COc1ccccc1[C@@H](O)CNC[C@@H](C)O ZINC000843065859 588078569 /nfs/dbraw/zinc/07/85/69/588078569.db2.gz QULQGROAWZGZPT-KOLCDFICSA-N 0 3 225.288 0.699 20 0 BCADHN COC[C@H](O)CNC[C@H](O)c1ccccc1C ZINC000843075484 588079380 /nfs/dbraw/zinc/07/93/80/588079380.db2.gz UFVCAHDBHRBXMP-YPMHNXCESA-N 0 3 239.315 0.625 20 0 BCADHN C/C=C\C[C@@H](CO)NCCS(=O)(=O)CC ZINC000843076057 588079459 /nfs/dbraw/zinc/07/94/59/588079459.db2.gz DJBSWVJPTVDUEV-ATPLWMGHSA-N 0 3 235.349 0.338 20 0 BCADHN COC[C@@H](O)CNC[C@@H](O)c1ccccc1C ZINC000843075483 588079800 /nfs/dbraw/zinc/07/98/00/588079800.db2.gz UFVCAHDBHRBXMP-WCQYABFASA-N 0 3 239.315 0.625 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1CCC[C@@H](CO)C1 ZINC000843080083 588080018 /nfs/dbraw/zinc/08/00/18/588080018.db2.gz GBBQRSCNBNBKAN-GHMZBOCLSA-N 0 3 249.376 0.562 20 0 BCADHN COC[C@H](CO)NC[C@H](O)c1ccc(C)cc1 ZINC000843079356 588080369 /nfs/dbraw/zinc/08/03/69/588080369.db2.gz WVWLEWTYXIZEIC-STQMWFEESA-N 0 3 239.315 0.625 20 0 BCADHN O[C@@H](CNC[C@H](O)c1ccccn1)C1CC1 ZINC000843096027 588081338 /nfs/dbraw/zinc/08/13/38/588081338.db2.gz QLHNFUYEGRAAID-RYUDHWBXSA-N 0 3 222.288 0.476 20 0 BCADHN CON(C)C(=O)CCN[C@H](CO)CC(F)F ZINC000843111207 588082285 /nfs/dbraw/zinc/08/22/85/588082285.db2.gz RMIXSUDTBIYSAS-ZETCQYMHSA-N 0 3 240.250 0.002 20 0 BCADHN CC[C@@H](NCCS(C)(=O)=O)[C@@H](O)C(F)F ZINC000843116210 588082526 /nfs/dbraw/zinc/08/25/26/588082526.db2.gz VSYJTRDUGFUADU-RNFRBKRXSA-N 0 3 245.291 0.025 20 0 BCADHN CC[C@H](O)CN[C@@H]1COc2ccccc2[C@H]1O ZINC000843117944 588082541 /nfs/dbraw/zinc/08/25/41/588082541.db2.gz VMBNIUWIBLYJSQ-UFGOTCBOSA-N 0 3 237.299 0.842 20 0 BCADHN C[C@H](CO)N(Cc1ccc(N)nc1)C[C@H](C)O ZINC000843119384 588082897 /nfs/dbraw/zinc/08/28/97/588082897.db2.gz LBNZQPDBCVCJEL-ZJUUUORDSA-N 0 3 239.319 0.227 20 0 BCADHN Cc1ccccc1[C@@H](O)CN[C@@H]1COC[C@H]1O ZINC000843117424 588083067 /nfs/dbraw/zinc/08/30/67/588083067.db2.gz PVLTWAJJXVSZNW-FRRDWIJNSA-N 0 3 237.299 0.378 20 0 BCADHN Cc1cnc(CN2CCNC[C@@H]2C(F)F)cn1 ZINC000843124560 588083419 /nfs/dbraw/zinc/08/34/19/588083419.db2.gz HMSNDNHFGQPPDO-SNVBAGLBSA-N 0 3 242.273 0.824 20 0 BCADHN Nc1ccc(CN[C@@H]2CNCCC2(F)F)cn1 ZINC000843125801 588084594 /nfs/dbraw/zinc/08/45/94/588084594.db2.gz IXZHJYTYUKSOBE-SECBINFHSA-N 0 3 242.273 0.751 20 0 BCADHN C[C@H](C[NH3+])N(C)C(=O)c1ccc(N)cc1[O-] ZINC000843344953 588102006 /nfs/dbraw/zinc/10/20/06/588102006.db2.gz IGYQZQZGWOPCAV-SSDOTTSWSA-N 0 3 223.276 0.394 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CC[C@H]1C ZINC000843431130 588106320 /nfs/dbraw/zinc/10/63/20/588106320.db2.gz XDODSQVLTNLBGU-RKDXNWHRSA-N 0 3 200.282 0.784 20 0 BCADHN CCN(OC)C(=O)CN[C@@H](C)[C@@H]1CCCOC1 ZINC000843431161 588106920 /nfs/dbraw/zinc/10/69/20/588106920.db2.gz XONMWZIWMLXVOE-WDEREUQCSA-N 0 3 244.335 0.801 20 0 BCADHN CCN(OC)C(=O)CNC1CC(OC(C)C)C1 ZINC000843430323 588108797 /nfs/dbraw/zinc/10/87/97/588108797.db2.gz INFFAEKAHWKECO-UHFFFAOYSA-N 0 3 244.335 0.942 20 0 BCADHN CCN(OC)C(=O)CNC[C@@H]1CCC=CO1 ZINC000843431022 588109193 /nfs/dbraw/zinc/10/91/93/588109193.db2.gz UWHNXFHGADQKRL-JTQLQIEISA-N 0 3 228.292 0.679 20 0 BCADHN CCc1cc(CNC(=O)C2(N)CCCC2)[nH]n1 ZINC000843436845 588109650 /nfs/dbraw/zinc/10/96/50/588109650.db2.gz KULONIZHQPQIIR-UHFFFAOYSA-N 0 3 236.319 0.860 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CC[C@@H]1SC ZINC000843433071 588109881 /nfs/dbraw/zinc/10/98/81/588109881.db2.gz QBFCEYUIYTUBQP-IUCAKERBSA-N 0 3 232.349 0.880 20 0 BCADHN CCCN[C@H](C)C(=O)NC1(C(N)=O)CCCC1 ZINC000843438881 588110346 /nfs/dbraw/zinc/11/03/46/588110346.db2.gz FMBCWRACPMGBOY-SECBINFHSA-N 0 3 241.335 0.289 20 0 BCADHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)CN ZINC000843438181 588110378 /nfs/dbraw/zinc/11/03/78/588110378.db2.gz HXHYHHCABYEOGK-SNVBAGLBSA-N 0 3 220.276 0.237 20 0 BCADHN CCNCC(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000843443728 588110678 /nfs/dbraw/zinc/11/06/78/588110678.db2.gz NAJZUHWHKSCOPQ-PWSUYJOCSA-N 0 3 228.336 0.653 20 0 BCADHN CCNCC(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000843443729 588110798 /nfs/dbraw/zinc/11/07/98/588110798.db2.gz NAJZUHWHKSCOPQ-ZYHUDNBSSA-N 0 3 228.336 0.653 20 0 BCADHN CO[C@@H](C)CN(C(=O)[C@@]1(F)CCNC1)C(C)C ZINC000843442759 588110965 /nfs/dbraw/zinc/11/09/65/588110965.db2.gz PFMGAMQHFUXAQI-CMPLNLGQSA-N 0 3 246.326 0.960 20 0 BCADHN C[C@H]1NCCN(C(=O)[C@H](O)c2ccccc2)[C@@H]1C ZINC000843473090 588113775 /nfs/dbraw/zinc/11/37/75/588113775.db2.gz BAHVSZWYIDAMFS-NQBHXWOUSA-N 0 3 248.326 0.929 20 0 BCADHN CCNCC(=O)N1CCc2ccncc21 ZINC000843495268 588115642 /nfs/dbraw/zinc/11/56/42/588115642.db2.gz QAIQYHWDNCQGOT-UHFFFAOYSA-N 0 3 205.261 0.580 20 0 BCADHN CCNCC(=O)NC1CCN(CC(F)F)CC1 ZINC000843499177 588116165 /nfs/dbraw/zinc/11/61/65/588116165.db2.gz LWGYRKMBGYHDSA-UHFFFAOYSA-N 0 3 249.305 0.442 20 0 BCADHN CCNCC(=O)NCCC1(COC)CC1 ZINC000843504499 588117087 /nfs/dbraw/zinc/11/70/87/588117087.db2.gz BDNBFGZMDLXEDY-UHFFFAOYSA-N 0 3 214.309 0.529 20 0 BCADHN Nc1ccc(C(=O)NCCC[NH2+]C2CC2)c([O-])c1 ZINC000843513654 588118083 /nfs/dbraw/zinc/11/80/83/588118083.db2.gz LMCFZFOOIAKTJR-UHFFFAOYSA-N 0 3 249.314 0.846 20 0 BCADHN CCCN(CCN(C)C)C(=O)/C=C/COC ZINC000843788601 588140094 /nfs/dbraw/zinc/14/00/94/588140094.db2.gz MHIWVKUOXHICJG-VOTSOKGWSA-N 0 3 228.336 0.989 20 0 BCADHN COCCN(CCN(C)C)C(=O)C1(F)CC1 ZINC000843790195 588140382 /nfs/dbraw/zinc/14/03/82/588140382.db2.gz FFGUMEIDKOMZPT-UHFFFAOYSA-N 0 3 232.299 0.525 20 0 BCADHN CS[C@H]1CN(C(=O)C2(F)CC2)C[C@@H]1N(C)C ZINC000843842851 588142950 /nfs/dbraw/zinc/14/29/50/588142950.db2.gz MOQQNUSBOATJSL-IUCAKERBSA-N 0 3 246.351 0.993 20 0 BCADHN CN(C)CCOCCNC(=O)C1(F)CC1 ZINC000843847987 588144575 /nfs/dbraw/zinc/14/45/75/588144575.db2.gz AGVRTMYXNLKATO-UHFFFAOYSA-N 0 3 218.272 0.183 20 0 BCADHN CN1CCC(CCO)(NC(=O)C2(F)CC2)CC1 ZINC000843848212 588145215 /nfs/dbraw/zinc/14/52/15/588145215.db2.gz DIPGJWIJSTUKIX-UHFFFAOYSA-N 0 3 244.310 0.452 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3(F)CC3)[C@H]2C1 ZINC000843894996 588148838 /nfs/dbraw/zinc/14/88/38/588148838.db2.gz ZXYOJYPGUGCXBF-BDAKNGLRSA-N 0 3 212.268 0.651 20 0 BCADHN CCNCC(=O)Nc1ccc(-n2nccn2)nc1 ZINC000844168726 588171432 /nfs/dbraw/zinc/17/14/32/588171432.db2.gz SOGZMSVXNGLOAV-UHFFFAOYSA-N 0 3 246.274 0.210 20 0 BCADHN CCNCC(=O)NCCc1cn2ccccc2n1 ZINC000844167535 588171516 /nfs/dbraw/zinc/17/15/16/588171516.db2.gz BPVBVOJLOYWKOZ-UHFFFAOYSA-N 0 3 246.314 0.603 20 0 BCADHN CCNCC(=O)NC[C@@H](C)Cn1ccnc1C ZINC000844173891 588171953 /nfs/dbraw/zinc/17/19/53/588171953.db2.gz CAIQGNFJACPEIV-SNVBAGLBSA-N 0 3 238.335 0.553 20 0 BCADHN COc1c(C)cnc(CNC(=O)CN)c1C ZINC000844177592 588172283 /nfs/dbraw/zinc/17/22/83/588172283.db2.gz LUGOWUZFIPJJIW-UHFFFAOYSA-N 0 3 223.276 0.282 20 0 BCADHN CC(C)c1nccn1CCNC(=O)C1(N)CC1 ZINC000844175109 588172323 /nfs/dbraw/zinc/17/23/23/588172323.db2.gz ZMVWDUHCOUTHRX-UHFFFAOYSA-N 0 3 236.319 0.614 20 0 BCADHN CN(C(=O)[C@@H](N)C1CCC1)c1cn[nH]c1 ZINC000844190434 588173006 /nfs/dbraw/zinc/17/30/06/588173006.db2.gz FUJNZSLODRBIGR-VIFPVBQESA-N 0 3 208.265 0.500 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)c1cn[nH]c1 ZINC000844190454 588173068 /nfs/dbraw/zinc/17/30/68/588173068.db2.gz GUGCCFZEJOGMFH-CBAPKCEASA-N 0 3 210.281 0.746 20 0 BCADHN CCN(CC(=O)NC)C[C@H]1CCCN1C ZINC000844279443 588179756 /nfs/dbraw/zinc/17/97/56/588179756.db2.gz PHMWNEUIAOTRFV-SNVBAGLBSA-N 0 3 213.325 0.149 20 0 BCADHN C[C@H](CO)N(C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844310108 588183157 /nfs/dbraw/zinc/18/31/57/588183157.db2.gz PXWQDMCQKMODGA-PSASIEDQSA-N 0 3 228.292 0.282 20 0 BCADHN CN1CCC[C@@H]1CN[C@]1(C)CCOC1=O ZINC000844332177 588185721 /nfs/dbraw/zinc/18/57/21/588185721.db2.gz PTFIJEUOHOMTGQ-MWLCHTKSSA-N 0 3 212.293 0.376 20 0 BCADHN CCC[C@@H](C)[C@H](CO)NCCS(C)(=O)=O ZINC000844377721 588188039 /nfs/dbraw/zinc/18/80/39/588188039.db2.gz IGXXHFXFAPYLJL-ZJUUUORDSA-N 0 3 237.365 0.418 20 0 BCADHN CCOC(CN1C[C@H](O)C[C@H]1COC)OCC ZINC000844392983 588189380 /nfs/dbraw/zinc/18/93/80/588189380.db2.gz CPQUDBYPAOACIV-WDEREUQCSA-N 0 3 247.335 0.467 20 0 BCADHN C[C@H](CO)C1CCN(CC2OCCO2)CC1 ZINC000844416377 588191338 /nfs/dbraw/zinc/19/13/38/588191338.db2.gz NIMAWYHYQRPSQN-SNVBAGLBSA-N 0 3 229.320 0.700 20 0 BCADHN C[C@H](CCO)N(C)CCN1CCOC1=O ZINC000844447430 588194329 /nfs/dbraw/zinc/19/43/29/588194329.db2.gz OHENLSZPKREJQG-SECBINFHSA-N 0 3 216.281 0.141 20 0 BCADHN COC(=O)/C(C)=C\CN(C)[C@H](C)CCO ZINC000844447597 588194675 /nfs/dbraw/zinc/19/46/75/588194675.db2.gz PLNVQELEIGFAPY-HYHWUIIZSA-N 0 3 215.293 0.808 20 0 BCADHN CN(C)CC[C@@H](N)c1nc(-c2ccon2)no1 ZINC000844914251 588219322 /nfs/dbraw/zinc/21/93/22/588219322.db2.gz ZYYCRDJJYCWLNN-SSDOTTSWSA-N 0 3 237.263 0.676 20 0 BCADHN CN(C)CC[C@H](N)c1nc(-c2ccon2)no1 ZINC000844914252 588219364 /nfs/dbraw/zinc/21/93/64/588219364.db2.gz ZYYCRDJJYCWLNN-ZETCQYMHSA-N 0 3 237.263 0.676 20 0 BCADHN Cc1nonc1CC(=O)NCCN(C)C1CC1 ZINC000845285392 588225829 /nfs/dbraw/zinc/22/58/29/588225829.db2.gz KXERWDDMCOAHQW-UHFFFAOYSA-N 0 3 238.291 0.131 20 0 BCADHN COC/C(C)=C/C(=O)NC[C@H]1CCCN1C ZINC000845508693 588231341 /nfs/dbraw/zinc/23/13/41/588231341.db2.gz XVDQQJUGTIMODC-PFEDMVJOSA-N 0 3 226.320 0.790 20 0 BCADHN Cc1nonc1CC(=O)NC[C@@H]1CCCN1C ZINC000845508260 588231476 /nfs/dbraw/zinc/23/14/76/588231476.db2.gz SULCSOIGDLWMAE-VIFPVBQESA-N 0 3 238.291 0.131 20 0 BCADHN C[C@@H](CN1CCCC1)OC(=O)c1ncn(C)n1 ZINC000845662484 588240119 /nfs/dbraw/zinc/24/01/19/588240119.db2.gz JQJFUBTYGUWUTD-VIFPVBQESA-N 0 3 238.291 0.456 20 0 BCADHN C[C@@H](CN1CCCC1)OC(=O)c1cnnn1C ZINC000845665223 588240395 /nfs/dbraw/zinc/24/03/95/588240395.db2.gz ZLXASDGLQICRJC-VIFPVBQESA-N 0 3 238.291 0.456 20 0 BCADHN Cc1nonc1CC(=O)N1CCNC(C)(C)C1 ZINC000845709333 588242150 /nfs/dbraw/zinc/24/21/50/588242150.db2.gz MJIRLMNXFDIAAR-UHFFFAOYSA-N 0 3 238.291 0.131 20 0 BCADHN CCON(C)C(=O)CNc1cc(C)nc(N)n1 ZINC000845715649 588242446 /nfs/dbraw/zinc/24/24/46/588242446.db2.gz NHNODJKKZVCZTR-UHFFFAOYSA-N 0 3 239.279 0.189 20 0 BCADHN CCON(C)C(=O)CNc1ccnc(CC)c1 ZINC000845717951 588242451 /nfs/dbraw/zinc/24/24/51/588242451.db2.gz IHOOCWBGMVOWQO-UHFFFAOYSA-N 0 3 237.303 0.888 20 0 BCADHN COC/C(C)=C/C(=O)NC[C@](C)(O)CN(C)C ZINC000845870689 588249265 /nfs/dbraw/zinc/24/92/65/588249265.db2.gz TZHCVMANLFDHEP-JXPAYYINSA-N 0 3 244.335 0.008 20 0 BCADHN COC/C(C)=C/C(=O)NCCOCCN(C)C ZINC000845920123 588250509 /nfs/dbraw/zinc/25/05/09/588250509.db2.gz VFKYSIUTRJEBSI-PKNBQFBNSA-N 0 3 244.335 0.274 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1C[C@H](C)O[C@H]1C ZINC000846062167 588255129 /nfs/dbraw/zinc/25/51/29/588255129.db2.gz BNTKIPSYVJIKQM-LPEHRKFASA-N 0 3 230.308 0.552 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CCOC[C@@H]1C ZINC000846064582 588255284 /nfs/dbraw/zinc/25/52/84/588255284.db2.gz SHCBFHHHMJPAKM-VHSXEESVSA-N 0 3 230.308 0.411 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CCOC[C@H]1C ZINC000846064584 588255312 /nfs/dbraw/zinc/25/53/12/588255312.db2.gz SHCBFHHHMJPAKM-ZJUUUORDSA-N 0 3 230.308 0.411 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CCO[C@H](CC)C1 ZINC000846065443 588255450 /nfs/dbraw/zinc/25/54/50/588255450.db2.gz WAFWCCNPRQBZBA-GHMZBOCLSA-N 0 3 244.335 0.944 20 0 BCADHN CCN1CC[C@H](NC(=O)Cc2nonc2C)C1 ZINC000846262121 588263145 /nfs/dbraw/zinc/26/31/45/588263145.db2.gz QIDYKAUTXWNNTI-VIFPVBQESA-N 0 3 238.291 0.131 20 0 BCADHN CCOC(CN1CCC(C(N)=O)CC1)OCC ZINC000106365113 588268976 /nfs/dbraw/zinc/26/89/76/588268976.db2.gz QRMIVGRINWVBQG-UHFFFAOYSA-N 0 3 244.335 0.583 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000846609684 588279661 /nfs/dbraw/zinc/27/96/61/588279661.db2.gz SASOCZWYIAFASQ-HRDYMLBCSA-N 0 3 230.258 0.804 20 0 BCADHN CC[C@@H](C(=O)[N-]OC1CC[NH+](C)CC1)N(C)C ZINC000846648561 588280170 /nfs/dbraw/zinc/28/01/70/588280170.db2.gz ZVAXZTKCYHCDLR-NSHDSACASA-N 0 3 243.351 0.469 20 0 BCADHN CN1CCC[C@@H]1C(=O)[N-]OC1CC[NH+](C)CC1 ZINC000846646323 588280551 /nfs/dbraw/zinc/28/05/51/588280551.db2.gz DUEJGHIEPKBPMZ-LLVKDONJSA-N 0 3 241.335 0.223 20 0 BCADHN COC[C@H](C)CC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000846648298 588280798 /nfs/dbraw/zinc/28/07/98/588280798.db2.gz VZZNCGQJTZELMN-SNVBAGLBSA-N 0 3 244.335 0.801 20 0 BCADHN Cc1c[nH]nc1C(=O)NOC1CCN(C)CC1 ZINC000846650489 588280906 /nfs/dbraw/zinc/28/09/06/588280906.db2.gz WGMZTCVUXPVJLN-UHFFFAOYSA-N 0 3 238.291 0.474 20 0 BCADHN CCNCC(=O)NC[C@H](C)CC(=O)OCC ZINC000846681077 588282352 /nfs/dbraw/zinc/28/23/52/588282352.db2.gz ODUNMIQEKWPAGC-SECBINFHSA-N 0 3 230.308 0.301 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000846683502 588282576 /nfs/dbraw/zinc/28/25/76/588282576.db2.gz HVSQKIQVIRPTSN-GMSGAONNSA-N 0 3 228.317 0.419 20 0 BCADHN C[C@](O)(CNC(=O)CN)c1ccc(F)cc1F ZINC000846682885 588282603 /nfs/dbraw/zinc/28/26/03/588282603.db2.gz BYBULDCZZCHTGM-NSHDSACASA-N 0 3 244.241 0.247 20 0 BCADHN CC[C@H](NC(=O)[C@@]1(F)CCNC1)[C@@H]1CCCO1 ZINC000846684961 588282809 /nfs/dbraw/zinc/28/28/09/588282809.db2.gz WKBJXPCSIDHFNI-JBLDHEPKSA-N 0 3 244.310 0.762 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@](C)(O)c1ccco1 ZINC000846685794 588282942 /nfs/dbraw/zinc/28/29/42/588282942.db2.gz GMHXVGLSJQALQP-JQWIXIFHSA-N 0 3 240.303 0.587 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@](C)(O)c1ccco1 ZINC000846687145 588282944 /nfs/dbraw/zinc/28/29/44/588282944.db2.gz NLPMNNXDIIQXOG-GZMMTYOYSA-N 0 3 226.276 0.341 20 0 BCADHN C[C@@]1(CCNC(=O)CN)C[C@]1(F)Cl ZINC000846688073 588283010 /nfs/dbraw/zinc/28/30/10/588283010.db2.gz QZIVONXYFDKQFI-HTQZYQBOSA-N 0 3 208.664 0.766 20 0 BCADHN Nc1ccc(C(=O)NCCC2(C[NH3+])CC2)c([O-])c1 ZINC000846693366 588283053 /nfs/dbraw/zinc/28/30/53/588283053.db2.gz HYTKAIIMPFCXQC-UHFFFAOYSA-N 0 3 249.314 0.833 20 0 BCADHN O=C1C[C@H](N2CCC3(CCCC3)C2)C(=O)N1 ZINC000846701518 588283470 /nfs/dbraw/zinc/28/34/70/588283470.db2.gz BTJNUAFTUZDTJZ-VIFPVBQESA-N 0 3 222.288 0.668 20 0 BCADHN O=C(N1C[C@H]2[C@@H](C1)C2(F)F)[C@@]1(F)CCNC1 ZINC000846700249 588283568 /nfs/dbraw/zinc/28/35/68/588283568.db2.gz VJYGYUWEUCRXPE-BKPPORCPSA-N 0 3 234.221 0.412 20 0 BCADHN CN(CCO)Cc1ccc2nonc2c1 ZINC000846774020 588287311 /nfs/dbraw/zinc/28/73/11/588287311.db2.gz TZVCPWXDWORLGI-UHFFFAOYSA-N 0 3 207.233 0.647 20 0 BCADHN CON(C)C(=O)CCN1CCN(C)C(C)(C)C1 ZINC000846889548 588295584 /nfs/dbraw/zinc/29/55/84/588295584.db2.gz OUGKBCZFYYGTJT-UHFFFAOYSA-N 0 3 243.351 0.422 20 0 BCADHN CCN1C[C@@H](CN(C)[C@@H]2CCCOC2)OC1=O ZINC000846902404 588296346 /nfs/dbraw/zinc/29/63/46/588296346.db2.gz SHBGWZUCKDODOC-GHMZBOCLSA-N 0 3 242.319 0.938 20 0 BCADHN CCN(C[C@H]1CN(CC)C(=O)O1)[C@H]1CCOC1 ZINC000846914708 588296541 /nfs/dbraw/zinc/29/65/41/588296541.db2.gz MBKULKXOORZATR-QWRGUYRKSA-N 0 3 242.319 0.938 20 0 BCADHN OCC(CO)NCc1cccc2nsnc21 ZINC000846939882 588297680 /nfs/dbraw/zinc/29/76/80/588297680.db2.gz NYVZGQGSZPWHSK-UHFFFAOYSA-N 0 3 239.300 0.134 20 0 BCADHN OC[C@H]1CN(Cc2ccc3nonc3c2)C[C@H]1O ZINC000846990495 588300696 /nfs/dbraw/zinc/30/06/96/588300696.db2.gz JAWAZLUTKLPWHF-BXKDBHETSA-N 0 3 249.270 0.008 20 0 BCADHN CC1=NO[C@H](C(=O)NC2(CN(C)C)CCC2)C1 ZINC000847116211 588306836 /nfs/dbraw/zinc/30/68/36/588306836.db2.gz WNVMKJSJPONCCZ-JTQLQIEISA-N 0 3 239.319 0.752 20 0 BCADHN CC[NH+](CC)CCCN(C)CC(=O)[O-] ZINC000107144561 588331329 /nfs/dbraw/zinc/33/13/29/588331329.db2.gz RVDDDXBAMRLMMF-UHFFFAOYSA-N 0 3 202.298 0.735 20 0 BCADHN CCN(CC)CCC[N@H+](C)CC(=O)[O-] ZINC000107144561 588331332 /nfs/dbraw/zinc/33/13/32/588331332.db2.gz RVDDDXBAMRLMMF-UHFFFAOYSA-N 0 3 202.298 0.735 20 0 BCADHN CCN(CC)CCC[N@@H+](C)CC(=O)[O-] ZINC000107144561 588331334 /nfs/dbraw/zinc/33/13/34/588331334.db2.gz RVDDDXBAMRLMMF-UHFFFAOYSA-N 0 3 202.298 0.735 20 0 BCADHN COCCN1CCC(OC(=O)[C@H](C)OC)CC1 ZINC000847882705 588342201 /nfs/dbraw/zinc/34/22/01/588342201.db2.gz UNOYCVNPPPDEDQ-JTQLQIEISA-N 0 3 245.319 0.675 20 0 BCADHN O=C([O-])CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000107214402 588342472 /nfs/dbraw/zinc/34/24/72/588342472.db2.gz GFZUBFWZLMJRKB-JTQLQIEISA-N 0 3 212.293 0.489 20 0 BCADHN O=C([O-])C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000107214402 588342474 /nfs/dbraw/zinc/34/24/74/588342474.db2.gz GFZUBFWZLMJRKB-JTQLQIEISA-N 0 3 212.293 0.489 20 0 BCADHN O=C([O-])C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000107214402 588342476 /nfs/dbraw/zinc/34/24/76/588342476.db2.gz GFZUBFWZLMJRKB-JTQLQIEISA-N 0 3 212.293 0.489 20 0 BCADHN COCOCCCNC(=O)[C@H](C(C)C)N(C)C ZINC000848169763 588364198 /nfs/dbraw/zinc/36/41/98/588364198.db2.gz YYRJWOYYNXJMAO-NSHDSACASA-N 0 3 246.351 0.699 20 0 BCADHN CCCN(C)CC(=O)NCCCOCOC ZINC000848171978 588364657 /nfs/dbraw/zinc/36/46/57/588364657.db2.gz WDKZJTMZMBVNJM-UHFFFAOYSA-N 0 3 232.324 0.455 20 0 BCADHN CN(C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCC(=O)C2)C1 ZINC000848295219 588371260 /nfs/dbraw/zinc/37/12/60/588371260.db2.gz LQGDUWRXWSQOFR-GARJFASQSA-N 0 3 238.331 0.812 20 0 BCADHN CC1(C)C[C@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848305513 588371924 /nfs/dbraw/zinc/37/19/24/588371924.db2.gz CIWDWOBPGJPKGW-AXFHLTTASA-N 0 3 238.331 0.310 20 0 BCADHN CN[C@@H](C)C(=O)NCCCNc1ncccn1 ZINC000848411583 588380403 /nfs/dbraw/zinc/38/04/03/588380403.db2.gz SNGWWOVYQRMUCY-VIFPVBQESA-N 0 3 237.307 0.003 20 0 BCADHN CCNCC(=O)N(C)[C@H](C)c1nc(C)no1 ZINC000848435996 588384491 /nfs/dbraw/zinc/38/44/91/588384491.db2.gz CETVSWZQAZATSQ-SSDOTTSWSA-N 0 3 226.280 0.507 20 0 BCADHN CS/C=C/C(=O)N[C@H](CN)C(F)(F)F ZINC000848438355 588384955 /nfs/dbraw/zinc/38/49/55/588384955.db2.gz IWVZMHSEXIHMCL-WVSAJJKCSA-N 0 3 228.239 0.869 20 0 BCADHN CCNCC(=O)N(CCC(=O)OCC)C(C)C ZINC000848442584 588385512 /nfs/dbraw/zinc/38/55/12/588385512.db2.gz GXCUBCFVXIUVDJ-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN CCOC(=O)CCN(C(=O)[C@@H]1C[C@@H]1N)C(C)C ZINC000848443372 588385552 /nfs/dbraw/zinc/38/55/52/588385552.db2.gz WGJUZLPEOHMTHR-ZJUUUORDSA-N 0 3 242.319 0.524 20 0 BCADHN Cn1c(Cl)ncc1CNC(C)(C)CO ZINC000848536772 588394206 /nfs/dbraw/zinc/39/42/06/588394206.db2.gz WGGFXUMVWKXBKO-UHFFFAOYSA-N 0 3 217.700 0.934 20 0 BCADHN CNC(=O)C[C@H](C)NCc1cnc(Cl)n1C ZINC000848554874 588396291 /nfs/dbraw/zinc/39/62/91/588396291.db2.gz FLUHMUVRBQPZSX-ZETCQYMHSA-N 0 3 244.726 0.688 20 0 BCADHN CC[C@H](O)CNCc1cnc(Cl)n1C ZINC000848554246 588396698 /nfs/dbraw/zinc/39/66/98/588396698.db2.gz XSQWETSHUCAHSP-QMMMGPOBSA-N 0 3 217.700 0.934 20 0 BCADHN CO[C@@](C)(CO)CNCc1cnc(Cl)n1C ZINC000848560858 588397856 /nfs/dbraw/zinc/39/78/56/588397856.db2.gz RPRUHBMRFVNORA-SNVBAGLBSA-N 0 3 247.726 0.561 20 0 BCADHN Cn1ncc(CN[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000848575362 588398590 /nfs/dbraw/zinc/39/85/90/588398590.db2.gz PDWPMQAURUCYJA-STQMWFEESA-N 0 3 249.362 0.922 20 0 BCADHN CC(C)CONC(=O)N[C@H](CN)C(F)(F)F ZINC000848596964 588401237 /nfs/dbraw/zinc/40/12/37/588401237.db2.gz BVFJLUKVRXJUNW-ZCFIWIBFSA-N 0 3 243.229 0.763 20 0 BCADHN CC(C)CONC(=O)N[C@@H](CN)C(F)(F)F ZINC000848596963 588401284 /nfs/dbraw/zinc/40/12/84/588401284.db2.gz BVFJLUKVRXJUNW-LURJTMIESA-N 0 3 243.229 0.763 20 0 BCADHN CC(C)ONC(=O)N[C@@H](CN)C(F)(F)F ZINC000848597836 588401469 /nfs/dbraw/zinc/40/14/69/588401469.db2.gz DMJSFUNUOHMMLE-YFKPBYRVSA-N 0 3 229.202 0.515 20 0 BCADHN NC[C@H](NC(=O)NOCC1CC1)C(F)(F)F ZINC000848598511 588401573 /nfs/dbraw/zinc/40/15/73/588401573.db2.gz LOZLFUFTCIRPDU-LURJTMIESA-N 0 3 241.213 0.517 20 0 BCADHN CN(C)CCn1cc(CC(C)(C)CO)nn1 ZINC000849136538 588453092 /nfs/dbraw/zinc/45/30/92/588453092.db2.gz IJOWLDIISPOELS-UHFFFAOYSA-N 0 3 226.324 0.401 20 0 BCADHN CN(C)CCn1cc(-c2ccccn2)nn1 ZINC000849136554 588453871 /nfs/dbraw/zinc/45/38/71/588453871.db2.gz JLEQJOMWNMAHRY-UHFFFAOYSA-N 0 3 217.276 0.902 20 0 BCADHN CN(C)CCn1cc(C[C@@H](O)C(C)(C)C)nn1 ZINC000849136915 588453893 /nfs/dbraw/zinc/45/38/93/588453893.db2.gz MBSQAQORVLIAAQ-LLVKDONJSA-N 0 3 240.351 0.789 20 0 BCADHN Cc1nc(C)n(Cc2cn(CCN(C)C)nn2)n1 ZINC000849136097 588454013 /nfs/dbraw/zinc/45/40/13/588454013.db2.gz AUPVNTKKVFNHFU-UHFFFAOYSA-N 0 3 249.322 0.096 20 0 BCADHN CN(C)CCn1cc(CN2CCCCC2)nn1 ZINC000849138048 588454169 /nfs/dbraw/zinc/45/41/69/588454169.db2.gz XJOQLTYBWHCNIJ-UHFFFAOYSA-N 0 3 237.351 0.826 20 0 BCADHN COC(C)(C)c1cn(CCN(C)C)nn1 ZINC000849138154 588454336 /nfs/dbraw/zinc/45/43/36/588454336.db2.gz ZGIXKMCRYCKXRD-UHFFFAOYSA-N 0 3 212.297 0.721 20 0 BCADHN C[C@H](N)c1cn(C[C@H](O)Cc2ccccc2)nn1 ZINC000849148816 588455804 /nfs/dbraw/zinc/45/58/04/588455804.db2.gz UIAAOCWNYQKGEY-CMPLNLGQSA-N 0 3 246.314 0.901 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2ccc[n+]([O-])c2)C1 ZINC000108327907 588460731 /nfs/dbraw/zinc/46/07/31/588460731.db2.gz MGJWHRMUCAHQBO-NSHDSACASA-N 0 3 249.314 0.392 20 0 BCADHN CO[C@@H](C)CC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108341659 588461271 /nfs/dbraw/zinc/46/12/71/588461271.db2.gz LJTKZRMUWCEELM-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN Brc1ncn(C[C@H]2CNCCO2)n1 ZINC000849240639 588464315 /nfs/dbraw/zinc/46/43/15/588464315.db2.gz QYBCITIFCMRDMZ-ZCFIWIBFSA-N 0 3 247.096 0.029 20 0 BCADHN Brc1ncn(C[C@@H]2CNCCO2)n1 ZINC000849240635 588464404 /nfs/dbraw/zinc/46/44/04/588464404.db2.gz QYBCITIFCMRDMZ-LURJTMIESA-N 0 3 247.096 0.029 20 0 BCADHN CN(C)CCNC(=S)NCCc1ccoc1 ZINC000849295900 588470302 /nfs/dbraw/zinc/47/03/02/588470302.db2.gz SJKGNLPMDYIPQO-UHFFFAOYSA-N 0 3 241.360 0.848 20 0 BCADHN COCCC1CN(CCC(=O)N(C)OC)C1 ZINC000849328494 588473011 /nfs/dbraw/zinc/47/30/11/588473011.db2.gz LVIPTUODTSVDMG-UHFFFAOYSA-N 0 3 230.308 0.365 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CCOC2)C1 ZINC000849334437 588473240 /nfs/dbraw/zinc/47/32/40/588473240.db2.gz UTVFHDYZSZVSEW-AXFHLTTASA-N 0 3 239.319 0.121 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC2(C1)OCCO2 ZINC000108811680 588488434 /nfs/dbraw/zinc/48/84/34/588488434.db2.gz CCTWUFYFQRAPNM-UHFFFAOYSA-N 0 3 242.319 0.302 20 0 BCADHN C[C@@H](O)CCOC(=O)C1CCCN(C)C1=O ZINC000849790838 588499416 /nfs/dbraw/zinc/49/94/16/588499416.db2.gz BISXJYNKLKVUQW-BDAKNGLRSA-N 0 3 229.276 0.169 20 0 BCADHN CN1CC[C@@H](NCc2cnn3c2CCC3)C1 ZINC000850118564 588520875 /nfs/dbraw/zinc/52/08/75/588520875.db2.gz IMDRXSQSRSFCDX-LLVKDONJSA-N 0 3 220.320 0.623 20 0 BCADHN C[S@@](=O)CCCNCc1cnn2c1CCC2 ZINC000850138256 588521157 /nfs/dbraw/zinc/52/11/57/588521157.db2.gz BTFACIUXHWEUTM-MRXNPFEDSA-N 0 3 241.360 0.688 20 0 BCADHN OC[C@H](NCc1cnn2c1CCC2)C1CC1 ZINC000850137697 588521265 /nfs/dbraw/zinc/52/12/65/588521265.db2.gz SHTOZXUUNYRLQZ-NSHDSACASA-N 0 3 221.304 0.690 20 0 BCADHN COC[C@@H](OC)C(=O)OCCN1CCCCC1 ZINC000850200697 588527702 /nfs/dbraw/zinc/52/77/02/588527702.db2.gz DKCFRTGJEJUANR-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN CCN(CC)CCOC(=O)[C@H](COC)OC ZINC000850202553 588527998 /nfs/dbraw/zinc/52/79/98/588527998.db2.gz ZUEYMHQHZQVBRB-JTQLQIEISA-N 0 3 233.308 0.533 20 0 BCADHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCC1(C)OCCO1 ZINC000850234204 588530510 /nfs/dbraw/zinc/53/05/10/588530510.db2.gz RMJTXIUCVSOPQS-KXUCPTDWSA-N 0 3 243.303 0.537 20 0 BCADHN COc1cncc(CNC[C@]2(C)CCC(=O)N2)c1 ZINC000850319073 588536543 /nfs/dbraw/zinc/53/65/43/588536543.db2.gz GGGDYPTUVMLBHH-ZDUSSCGKSA-N 0 3 249.314 0.849 20 0 BCADHN CCC[C@H](O)[C@@H](CO)NCc1cn[nH]c1 ZINC000850325050 588536760 /nfs/dbraw/zinc/53/67/60/588536760.db2.gz RSERICOGAVQVOE-ZJUUUORDSA-N 0 3 213.281 0.021 20 0 BCADHN COc1cncc(CNCC2(CC(N)=O)CC2)c1 ZINC000850327858 588537059 /nfs/dbraw/zinc/53/70/59/588537059.db2.gz KUPSTJNUQGOGRL-UHFFFAOYSA-N 0 3 249.314 0.835 20 0 BCADHN COC[C@@H](C)NCC[S@@](=O)CC(F)(F)F ZINC000850350011 588537935 /nfs/dbraw/zinc/53/79/35/588537935.db2.gz NCTOCMVCYDMAIC-KWKYVRJSSA-N 0 3 247.282 0.922 20 0 BCADHN CCN(CC)C(=O)CN[C@@H](C)Cn1cncn1 ZINC000850427826 588545312 /nfs/dbraw/zinc/54/53/12/588545312.db2.gz DOQHWYQBABRSJB-JTQLQIEISA-N 0 3 239.323 0.125 20 0 BCADHN C[S@](=O)CCN[C@H]1CCCn2nccc21 ZINC000850435413 588546184 /nfs/dbraw/zinc/54/61/84/588546184.db2.gz NOYXHQIFJRIONB-VFZGTOFNSA-N 0 3 227.333 0.686 20 0 BCADHN Cn1cc([C@@H](O)CN[C@H]2COC(C)(C)C2)cn1 ZINC000850437350 588546477 /nfs/dbraw/zinc/54/64/77/588546477.db2.gz LQZZWOBNRPFYLA-MNOVXSKESA-N 0 3 239.319 0.611 20 0 BCADHN CON(C)CCN[C@@H](C)c1cn(C)nc1C ZINC000850479920 588550919 /nfs/dbraw/zinc/55/09/19/588550919.db2.gz GAGZXFFRMGQLFP-VIFPVBQESA-N 0 3 226.324 0.872 20 0 BCADHN C[C@H](CC(N)=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000850534691 588558194 /nfs/dbraw/zinc/55/81/94/588558194.db2.gz OVVFUMAGISYLJV-MRTMQBJTSA-N 0 3 248.273 0.654 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)OCC(F)(F)F ZINC000850587799 588562046 /nfs/dbraw/zinc/56/20/46/588562046.db2.gz KPJSIXGPQCEHJB-WDSKDSINSA-N 0 3 244.188 0.975 20 0 BCADHN CNC(=O)C1(NC(=O)CNC(C)C)CCCC1 ZINC000851629938 588611555 /nfs/dbraw/zinc/61/15/55/588611555.db2.gz ZYXXHTZCINZWMG-UHFFFAOYSA-N 0 3 241.335 0.159 20 0 BCADHN CCNCC(=O)N[C@@H](COC)C1CCOCC1 ZINC000851641584 588612528 /nfs/dbraw/zinc/61/25/28/588612528.db2.gz NGGWHDGWCIPHIE-NSHDSACASA-N 0 3 244.335 0.154 20 0 BCADHN CSC(C)(C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000851637914 588612662 /nfs/dbraw/zinc/61/26/62/588612662.db2.gz RDTVYCLUCWSGGO-YUMQZZPRSA-N 0 3 234.340 0.944 20 0 BCADHN CCNCC(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000851645102 588612686 /nfs/dbraw/zinc/61/26/86/588612686.db2.gz GBPZWHXTOYZVMN-KOLCDFICSA-N 0 3 212.293 0.091 20 0 BCADHN CO[C@@H](CNC(=O)[C@@H]1C[C@@H]1N)C1CCCC1 ZINC000851647854 588613070 /nfs/dbraw/zinc/61/30/70/588613070.db2.gz NUZGXLXCSDZHGD-VWYCJHECSA-N 0 3 226.320 0.655 20 0 BCADHN CN1CCCN(C[C@@H](O)c2ccccn2)CC1 ZINC000851720885 588617195 /nfs/dbraw/zinc/61/71/95/588617195.db2.gz VJCQLFOOMRCKLG-CYBMUJFWSA-N 0 3 235.331 0.753 20 0 BCADHN CN1CCCN(C[C@@H]2CCC(=O)O2)CC1 ZINC000851720825 588617357 /nfs/dbraw/zinc/61/73/57/588617357.db2.gz UOWMQFAXWKYTFL-JTQLQIEISA-N 0 3 212.293 0.330 20 0 BCADHN NC(=O)[C@](O)(CN1CCCCC1)c1ccccc1 ZINC000851722015 588617434 /nfs/dbraw/zinc/61/74/34/588617434.db2.gz IRHQUFFEOBMPLV-AWEZNQCLSA-N 0 3 248.326 0.845 20 0 BCADHN COCCN1CCN([C@H]2CC[C@@H](OC)C2)CC1 ZINC000851724584 588617488 /nfs/dbraw/zinc/61/74/88/588617488.db2.gz AUQMIPIOPAFZBH-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN CCN(CC(=O)N(C)C)[C@@H]1CC[C@H](OC)C1 ZINC000851726017 588617815 /nfs/dbraw/zinc/61/78/15/588617815.db2.gz LBFJPLABVNBDLT-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN OC[C@H]1CCCCN1C[C@@H](O)c1ccccn1 ZINC000851730085 588619099 /nfs/dbraw/zinc/61/90/99/588619099.db2.gz UMVHIWPWJLKQAA-DGCLKSJQSA-N 0 3 236.315 0.962 20 0 BCADHN OC[C@H]1CCCN1C[C@H](O)c1ccccn1 ZINC000851736603 588620586 /nfs/dbraw/zinc/62/05/86/588620586.db2.gz MXHVTECYZFWXIJ-PWSUYJOCSA-N 0 3 222.288 0.572 20 0 BCADHN CNC(=O)CCN(C)CCOC(F)F ZINC000851747613 588622200 /nfs/dbraw/zinc/62/22/00/588622200.db2.gz GYEJUYCXLBDMPU-UHFFFAOYSA-N 0 3 210.224 0.294 20 0 BCADHN OC[C@@H]1CCCN1C[C@H](O)c1ccccn1 ZINC000851752796 588623631 /nfs/dbraw/zinc/62/36/31/588623631.db2.gz MXHVTECYZFWXIJ-JQWIXIFHSA-N 0 3 222.288 0.572 20 0 BCADHN C[C@@H](Cn1cccn1)NC[C@H](O)c1ccccn1 ZINC000851760903 588624254 /nfs/dbraw/zinc/62/42/54/588624254.db2.gz MTEHGQHEIBVZLI-AAEUAGOBSA-N 0 3 246.314 0.990 20 0 BCADHN CN(C[C@@H]1CCC(=O)O1)[C@@H]1CCN(C2CC2)C1 ZINC000851769354 588625404 /nfs/dbraw/zinc/62/54/04/588625404.db2.gz RYKDXRJEUBZADL-NEPJUHHUSA-N 0 3 238.331 0.861 20 0 BCADHN CC1(C)OC[C@H](CN2CC[C@H](CO)C2)O1 ZINC000851781549 588627876 /nfs/dbraw/zinc/62/78/76/588627876.db2.gz ZZONKIIFDYYYRR-UWVGGRQHSA-N 0 3 215.293 0.452 20 0 BCADHN CC1(C)OC[C@H](CN2CC[C@](C)(O)C2)O1 ZINC000851800993 588628709 /nfs/dbraw/zinc/62/87/09/588628709.db2.gz XUTDZKQCGQOAKB-ONGXEEELSA-N 0 3 215.293 0.595 20 0 BCADHN CCN(CCCO)C[C@@H](O)c1ccccn1 ZINC000851791901 588629325 /nfs/dbraw/zinc/62/93/25/588629325.db2.gz ICZVVMLBGQGFMA-GFCCVEGCSA-N 0 3 224.304 0.819 20 0 BCADHN CO[C@@H]1CCN(C[C@H]2COC(C)(C)O2)C1 ZINC000851800069 588630743 /nfs/dbraw/zinc/63/07/43/588630743.db2.gz HBWRDUKMJFNHKF-ZJUUUORDSA-N 0 3 215.293 0.859 20 0 BCADHN CC1(C)OC[C@@H](CN2CC[C@@](C)(O)C2)O1 ZINC000851800992 588630925 /nfs/dbraw/zinc/63/09/25/588630925.db2.gz XUTDZKQCGQOAKB-MWLCHTKSSA-N 0 3 215.293 0.595 20 0 BCADHN CN(C[C@@H](O)C1CC1)C[C@@H]1CCC(=O)O1 ZINC000851803080 588631017 /nfs/dbraw/zinc/63/10/17/588631017.db2.gz OJELSHFGWJFSKQ-VHSXEESVSA-N 0 3 213.277 0.395 20 0 BCADHN CNC(=O)C1(NC[C@H](COC)OC)CCCC1 ZINC000851844354 588634730 /nfs/dbraw/zinc/63/47/30/588634730.db2.gz VEBXRIKSTDPHFU-SNVBAGLBSA-N 0 3 244.335 0.296 20 0 BCADHN NC(=O)C1(NCCOC(F)F)CCCC1 ZINC000851846825 588634740 /nfs/dbraw/zinc/63/47/40/588634740.db2.gz IZAYGEFOMQUZHR-UHFFFAOYSA-N 0 3 222.235 0.613 20 0 BCADHN CC1(C)OC[C@@H](CNC2(C(N)=O)CCCC2)O1 ZINC000851846932 588634866 /nfs/dbraw/zinc/63/48/66/588634866.db2.gz LGYWFUYZGCWBST-SECBINFHSA-N 0 3 242.319 0.526 20 0 BCADHN COC(=O)C[C@@H]1CCCN1C[C@@H]1CCC(=O)O1 ZINC000851859145 588636021 /nfs/dbraw/zinc/63/60/21/588636021.db2.gz KCHKTGLECMOFGJ-UWVGGRQHSA-N 0 3 241.287 0.720 20 0 BCADHN NC(=O)[C@](O)(CN1CC[C@H]2C[C@H]21)c1ccccc1 ZINC000851877861 588638459 /nfs/dbraw/zinc/63/84/59/588638459.db2.gz TYTFGVCZCFNJFF-SUHUHFCYSA-N 0 3 246.310 0.454 20 0 BCADHN C[C@@H]1CN(CCOC(F)F)CCN1C ZINC000851877137 588638646 /nfs/dbraw/zinc/63/86/46/588638646.db2.gz XWJYPMJVGPAILP-MRVPVSSYSA-N 0 3 208.252 0.862 20 0 BCADHN CC1(C)OC[C@@H](CN2CCC[C@@](C)(O)C2)O1 ZINC000851884762 588639918 /nfs/dbraw/zinc/63/99/18/588639918.db2.gz FRDMSHNJNGNVRP-ZYHUDNBSSA-N 0 3 229.320 0.985 20 0 BCADHN CCN1C[C@@H](C)N(Cc2cnon2)C[C@H]1C ZINC000851883725 588640171 /nfs/dbraw/zinc/64/01/71/588640171.db2.gz IXEFOMHKINPLQG-NXEZZACHSA-N 0 3 224.308 0.984 20 0 BCADHN C[C@@H]1CN(C[C@@H]2COC(C)(C)O2)C[C@H]1O ZINC000851885769 588640180 /nfs/dbraw/zinc/64/01/80/588640180.db2.gz LIJALOMZIPIDMP-OPRDCNLKSA-N 0 3 215.293 0.451 20 0 BCADHN C[C@@H]1CN(C[C@H]2COC(C)(C)O2)C[C@H]1O ZINC000851885768 588640236 /nfs/dbraw/zinc/64/02/36/588640236.db2.gz LIJALOMZIPIDMP-KXUCPTDWSA-N 0 3 215.293 0.451 20 0 BCADHN CC(C)C(=O)NCCN(C)CCOC(F)F ZINC000851886766 588640385 /nfs/dbraw/zinc/64/03/85/588640385.db2.gz VJDSPNXFJNWCPI-UHFFFAOYSA-N 0 3 238.278 0.930 20 0 BCADHN COC(CCN(C)CCc1cnccn1)OC ZINC000851889229 588640645 /nfs/dbraw/zinc/64/06/45/588640645.db2.gz AESGCUHRQNPYJX-UHFFFAOYSA-N 0 3 239.319 0.960 20 0 BCADHN C[C@H](O)[C@@H]1CCN(CCOC(F)F)C1 ZINC000851911902 588642789 /nfs/dbraw/zinc/64/27/89/588642789.db2.gz HAATVHYPBIFDLI-JGVFFNPUSA-N 0 3 209.236 0.928 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)c2ccccn2)CC[C@H]1O ZINC000851956000 588647590 /nfs/dbraw/zinc/64/75/90/588647590.db2.gz ALYBMZZZASDKRY-RAIGVLPGSA-N 0 3 236.315 0.818 20 0 BCADHN CN(C[C@H](O)c1ccccn1)CC1(CO)CC1 ZINC000851969223 588649151 /nfs/dbraw/zinc/64/91/51/588649151.db2.gz YLPONZSFXNVLLW-LBPRGKRZSA-N 0 3 236.315 0.819 20 0 BCADHN CC1(C)OC[C@H](CN2C[C@@H]3C[C@]3(CO)C2)O1 ZINC000851968599 588649352 /nfs/dbraw/zinc/64/93/52/588649352.db2.gz ONZONPBXQJYRJF-JBLDHEPKSA-N 0 3 227.304 0.452 20 0 BCADHN CC1(C)CN(C[C@@H]2CCC(=O)O2)CC[C@@H]1O ZINC000851969437 588649740 /nfs/dbraw/zinc/64/97/40/588649740.db2.gz ZWYDCCFJYXAHAW-UWVGGRQHSA-N 0 3 227.304 0.785 20 0 BCADHN C[C@@H](O)CN(CCOC(F)F)[C@H](C)CO ZINC000851973089 588650292 /nfs/dbraw/zinc/65/02/92/588650292.db2.gz VIVAWYZJRUUHLR-HTQZYQBOSA-N 0 3 227.251 0.289 20 0 BCADHN CN(CCCCO)C[C@H]1CCC(=O)O1 ZINC000851976172 588650436 /nfs/dbraw/zinc/65/04/36/588650436.db2.gz CNEZVTGTKXYIPA-SECBINFHSA-N 0 3 201.266 0.396 20 0 BCADHN CCOCCOCCN(C)C[C@@H]1CCC(=O)O1 ZINC000851975553 588650779 /nfs/dbraw/zinc/65/07/79/588650779.db2.gz RYSOISYKSWJJSU-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN C[C@@H](NCCc1c[nH]nn1)c1nnnn1C1CC1 ZINC000851981033 588651148 /nfs/dbraw/zinc/65/11/48/588651148.db2.gz OPYNIAVYBQEKFS-SSDOTTSWSA-N 0 3 248.294 0.019 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2COC(C)(C)O2)C[C@@H]1OC ZINC000851982074 588651397 /nfs/dbraw/zinc/65/13/97/588651397.db2.gz CXUJDHRWXYYXAZ-MXWKQRLJSA-N 0 3 245.319 0.484 20 0 BCADHN O=C1CC[C@@H](CN2CCC23CCOCC3)O1 ZINC000851988349 588652253 /nfs/dbraw/zinc/65/22/53/588652253.db2.gz LZFQHCVBUKZOPR-JTQLQIEISA-N 0 3 225.288 0.947 20 0 BCADHN COCC[C@@]1(NC[C@@H]2CCC(=O)O2)CCOC1 ZINC000851991750 588653241 /nfs/dbraw/zinc/65/32/41/588653241.db2.gz DHOLURDKNZNEOW-CMPLNLGQSA-N 0 3 243.303 0.477 20 0 BCADHN COCCN(C[C@H]1CCC(=O)O1)[C@@H]1CCOC1 ZINC000851995420 588653373 /nfs/dbraw/zinc/65/33/73/588653373.db2.gz ZBPNKAFAXJUVDP-GHMZBOCLSA-N 0 3 243.303 0.429 20 0 BCADHN C[C@@H]1C[C@@H](C)N1C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851997311 588653623 /nfs/dbraw/zinc/65/36/23/588653623.db2.gz JVTHLEAHMVNDGI-GYSYKLTISA-N 0 3 248.326 0.842 20 0 BCADHN CC1(C)CN(C[C@@H]2CCC(=O)O2)C[C@H]1O ZINC000851998349 588654077 /nfs/dbraw/zinc/65/40/77/588654077.db2.gz SVFYDXWGTGQXMB-DTWKUNHWSA-N 0 3 213.277 0.395 20 0 BCADHN CCN(CCOCCO)C[C@@H]1COC(C)(C)O1 ZINC000852016050 588655369 /nfs/dbraw/zinc/65/53/69/588655369.db2.gz TYJUUXHUXLCWMP-LLVKDONJSA-N 0 3 247.335 0.469 20 0 BCADHN CO[C@@H]1CC[C@H](N2CC[C@](F)(CO)C2)C1 ZINC000852019720 588655639 /nfs/dbraw/zinc/65/56/39/588655639.db2.gz FFVYPGHPCHFWJP-HBNTYKKESA-N 0 3 217.284 0.960 20 0 BCADHN CO[C@@H]1CC[C@H](N2CC[C@@](F)(CO)C2)C1 ZINC000852019718 588655883 /nfs/dbraw/zinc/65/58/83/588655883.db2.gz FFVYPGHPCHFWJP-AXFHLTTASA-N 0 3 217.284 0.960 20 0 BCADHN CCN1CCN(C[C@@H]2CCC(=O)O2)[C@@H](C)C1 ZINC000852040632 588656937 /nfs/dbraw/zinc/65/69/37/588656937.db2.gz LJXOWYCZJXEASG-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN CO[C@H](C)CN(C)C[C@@H]1CCC(=O)O1 ZINC000852044980 588657376 /nfs/dbraw/zinc/65/73/76/588657376.db2.gz JINSZGKXHPKUMA-BDAKNGLRSA-N 0 3 201.266 0.659 20 0 BCADHN O=CN1CCCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000852073573 588659648 /nfs/dbraw/zinc/65/96/48/588659648.db2.gz VERWXTHNIAIDKV-VXGBXAGGSA-N 0 3 226.320 0.454 20 0 BCADHN CCN(C[C@H]1COC(C)(C)O1)[C@H](C)CO ZINC000852076661 588659781 /nfs/dbraw/zinc/65/97/81/588659781.db2.gz VFPLXZKOUNYYOC-ZJUUUORDSA-N 0 3 217.309 0.841 20 0 BCADHN CC[C@H](CO)N(C)C[C@H]1COC(C)(C)O1 ZINC000852096335 588661841 /nfs/dbraw/zinc/66/18/41/588661841.db2.gz AKTDQCNCCPUJON-ZJUUUORDSA-N 0 3 217.309 0.841 20 0 BCADHN O[C@@]1(C(F)F)CCN(CCc2cn[nH]n2)C1 ZINC000852122317 588665303 /nfs/dbraw/zinc/66/53/03/588665303.db2.gz BAHGFMXAHMOJRK-VIFPVBQESA-N 0 3 232.234 0.049 20 0 BCADHN O[C@@]1(C(F)F)CCN(CCc2c[nH]nn2)C1 ZINC000852122317 588665304 /nfs/dbraw/zinc/66/53/04/588665304.db2.gz BAHGFMXAHMOJRK-VIFPVBQESA-N 0 3 232.234 0.049 20 0 BCADHN CC(=O)C1CCN(C[C@@]2(O)CCCOC2)CC1 ZINC000852125171 588665694 /nfs/dbraw/zinc/66/56/94/588665694.db2.gz FAYVYVBZJISDQB-ZDUSSCGKSA-N 0 3 241.331 0.829 20 0 BCADHN CO[C@@H]1CN(CC[C@H]2COC(C)(C)O2)C[C@H]1O ZINC000852140643 588666530 /nfs/dbraw/zinc/66/65/30/588666530.db2.gz NGSYFHDAMHQSNK-HBNTYKKESA-N 0 3 245.319 0.220 20 0 BCADHN CO[C@H]1CC[C@@H](N2CCN(OC)CC2)C1 ZINC000852143801 588666633 /nfs/dbraw/zinc/66/66/33/588666633.db2.gz IBNSQUZTUHAVCS-MNOVXSKESA-N 0 3 214.309 0.733 20 0 BCADHN CC1(C)COC[C@@H]1NC[C@@H]1CCC(=O)O1 ZINC000852141461 588666811 /nfs/dbraw/zinc/66/68/11/588666811.db2.gz QCCXZOHPYDCXIT-IUCAKERBSA-N 0 3 213.277 0.707 20 0 BCADHN CCN1CCCN(CC2OCCO2)[C@H](C)C1 ZINC000852167373 588668918 /nfs/dbraw/zinc/66/89/18/588668918.db2.gz QHDJQBCPQVQOMG-LLVKDONJSA-N 0 3 228.336 0.775 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@@H]1COC(C)(C)O1 ZINC000852164373 588668976 /nfs/dbraw/zinc/66/89/76/588668976.db2.gz YEZNWPCLJPUUBP-KXUCPTDWSA-N 0 3 231.292 0.141 20 0 BCADHN O=C1CC[C@@H](CN2CCC[C@@H]3COC[C@@H]32)O1 ZINC000852163423 588669011 /nfs/dbraw/zinc/66/90/11/588669011.db2.gz ZQDRBTCQZGVYIW-VWYCJHECSA-N 0 3 225.288 0.803 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1C[C@@H]1CCC(=O)O1 ZINC000852184006 588670185 /nfs/dbraw/zinc/67/01/85/588670185.db2.gz DKAZNBVYLWVFPI-UTLUCORTSA-N 0 3 213.277 0.537 20 0 BCADHN CC(=O)NCCN(C)CC[C@H]1COC(C)(C)O1 ZINC000852205625 588671943 /nfs/dbraw/zinc/67/19/43/588671943.db2.gz PZPAYLXZMCRGST-NSHDSACASA-N 0 3 244.335 0.596 20 0 BCADHN CN(CCC(=O)N1CCCC1)Cc1cnc[nH]1 ZINC000852288528 588675902 /nfs/dbraw/zinc/67/59/02/588675902.db2.gz QCRLEVUAMLTWOH-UHFFFAOYSA-N 0 3 236.319 0.854 20 0 BCADHN COC[C@H](C)N1CCC2=C(CCC(=O)N2)C1 ZINC000852299309 588677125 /nfs/dbraw/zinc/67/71/25/588677125.db2.gz UCIRSRLHFLKQLJ-VIFPVBQESA-N 0 3 224.304 0.891 20 0 BCADHN CC[C@H](O)CN1CCC2=C(CCC(=O)N2)C1 ZINC000852295897 588677332 /nfs/dbraw/zinc/67/73/32/588677332.db2.gz MAUBNFPPABXHEK-JTQLQIEISA-N 0 3 224.304 0.627 20 0 BCADHN C[C@@H](O)CN1CCC2=C(CCC(=O)N2)C1 ZINC000852295712 588677421 /nfs/dbraw/zinc/67/74/21/588677421.db2.gz JAXGNEKYOZAPRE-MRVPVSSYSA-N 0 3 210.277 0.237 20 0 BCADHN CCC(=O)CCN1CC[C@H](Cn2ccnn2)C1 ZINC000852313825 588677784 /nfs/dbraw/zinc/67/77/84/588677784.db2.gz OLJGZYLQTNSWTH-NSHDSACASA-N 0 3 236.319 0.969 20 0 BCADHN COC[C@H](NCC(OC)OC)C1CCOCC1 ZINC000852321463 588678480 /nfs/dbraw/zinc/67/84/80/588678480.db2.gz OMEHYLCAFJIPJB-NSHDSACASA-N 0 3 247.335 0.637 20 0 BCADHN CO[C@]1(CO)CCCN(C[C@@H]2CCC(=O)O2)C1 ZINC000852408565 588680823 /nfs/dbraw/zinc/68/08/23/588680823.db2.gz CTCFKCHWVVNREA-CMPLNLGQSA-N 0 3 243.303 0.165 20 0 BCADHN O=C1OCCN1[C@H]1CCN(CCCF)C1 ZINC000852435367 588682176 /nfs/dbraw/zinc/68/21/76/588682176.db2.gz MUSOEXWFJLKDAL-VIFPVBQESA-N 0 3 216.256 0.873 20 0 BCADHN CO[C@H](C)CN1CC[C@@H](N2CCOC2=O)C1 ZINC000852437928 588682235 /nfs/dbraw/zinc/68/22/35/588682235.db2.gz KGSPZWMWEZOKFO-NXEZZACHSA-N 0 3 228.292 0.548 20 0 BCADHN COCCN(CCF)C[C@H]1CCOC1 ZINC000852480818 588684266 /nfs/dbraw/zinc/68/42/66/588684266.db2.gz CWEAUVOTYBIZGS-SNVBAGLBSA-N 0 3 205.273 0.941 20 0 BCADHN O=C1CC[C@H]2CN(CCOC(F)F)CC[C@@H]2N1 ZINC000852493620 588685387 /nfs/dbraw/zinc/68/53/87/588685387.db2.gz APLDSEMUJKQVQX-IUCAKERBSA-N 0 3 248.273 0.826 20 0 BCADHN CN(CCC1OCCO1)C[C@@H]1COCCO1 ZINC000852494645 588685487 /nfs/dbraw/zinc/68/54/87/588685487.db2.gz DMSYOVKHDNNGSD-SNVBAGLBSA-N 0 3 231.292 0.097 20 0 BCADHN CN(C[C@H]1CCC(=O)O1)C[C@@H]1COCCO1 ZINC000852498707 588685636 /nfs/dbraw/zinc/68/56/36/588685636.db2.gz PAOHEOZFAIXLNQ-NXEZZACHSA-N 0 3 229.276 0.039 20 0 BCADHN C[C@@H]1CN(CC2OCCO2)C[C@@H](C)C1O ZINC000852503916 588686233 /nfs/dbraw/zinc/68/62/33/588686233.db2.gz VGDMRFFDVBZFLY-RKDXNWHRSA-N 0 3 215.293 0.308 20 0 BCADHN COC(CN1CCC[C@](O)(C2CC2)C1)OC ZINC000852501411 588686310 /nfs/dbraw/zinc/68/63/10/588686310.db2.gz MCDQQSRUTDULPZ-GFCCVEGCSA-N 0 3 229.320 0.842 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@H](C)[C@H]1O ZINC000852501096 588686377 /nfs/dbraw/zinc/68/63/77/588686377.db2.gz XIJYIWDWGFCUSZ-KLBPJQLPSA-N 0 3 227.304 0.641 20 0 BCADHN CON(C)C(=O)CCN(C)CC1=CCCOC1 ZINC000852516107 588687692 /nfs/dbraw/zinc/68/76/92/588687692.db2.gz JFXIANTZCOMBSN-UHFFFAOYSA-N 0 3 242.319 0.675 20 0 BCADHN C[C@@]12COC[C@H]1CN(CC1OCCO1)C2 ZINC000852533801 588688325 /nfs/dbraw/zinc/68/83/25/588688325.db2.gz DFRNBZWMWJUQIV-MWLCHTKSSA-N 0 3 213.277 0.328 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1CCN1CCOC1=O ZINC000852561115 588690261 /nfs/dbraw/zinc/69/02/61/588690261.db2.gz KBWIJWZCPZTYIU-NXEZZACHSA-N 0 3 228.292 0.284 20 0 BCADHN C[C@H](O)[C@H]1CCCN1CC1OCCO1 ZINC000852559845 588690600 /nfs/dbraw/zinc/69/06/00/588690600.db2.gz VMOHFJSYNFGAAP-DTWKUNHWSA-N 0 3 201.266 0.205 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1C[C@H](O)C12CCC2 ZINC000852584833 588691908 /nfs/dbraw/zinc/69/19/08/588691908.db2.gz RXZFSPQAXCEJSM-ZJUUUORDSA-N 0 3 247.360 0.314 20 0 BCADHN CCN1C[C@@H](CN2CCC3(COC3)C2)OC1=O ZINC000852683156 588694155 /nfs/dbraw/zinc/69/41/55/588694155.db2.gz GEVVWLWPRBDNQC-SNVBAGLBSA-N 0 3 240.303 0.549 20 0 BCADHN O=C1OCCN1CCN1CC[C@@H]2COC[C@@H]2C1 ZINC000852670055 588694910 /nfs/dbraw/zinc/69/49/10/588694910.db2.gz VJIADCHFJXTJGH-MNOVXSKESA-N 0 3 240.303 0.407 20 0 BCADHN O=C1OCCN1CCN1CC[C@H]2COC[C@H]2C1 ZINC000852670059 588694921 /nfs/dbraw/zinc/69/49/21/588694921.db2.gz VJIADCHFJXTJGH-WDEREUQCSA-N 0 3 240.303 0.407 20 0 BCADHN NS(=O)(=O)CCN1CCC[C@@H](C2CCC2)C1 ZINC000852674012 588695045 /nfs/dbraw/zinc/69/50/45/588695045.db2.gz STCANXYSMNOABP-LLVKDONJSA-N 0 3 246.376 0.787 20 0 BCADHN O[C@H](CN1CCC2(COC2)C1)c1ccccn1 ZINC000852682766 588695408 /nfs/dbraw/zinc/69/54/08/588695408.db2.gz LSVLTXMCXFYVGB-GFCCVEGCSA-N 0 3 234.299 0.837 20 0 BCADHN C[C@H]1CN(CC2OCCO2)C[C@]1(C)CO ZINC000852704127 588697063 /nfs/dbraw/zinc/69/70/63/588697063.db2.gz TVDATHQDEAMHRE-GXSJLCMTSA-N 0 3 215.293 0.310 20 0 BCADHN C[C@@H]1CN(CC2OCCO2)C[C@]1(C)CO ZINC000852704129 588697371 /nfs/dbraw/zinc/69/73/71/588697371.db2.gz TVDATHQDEAMHRE-MWLCHTKSSA-N 0 3 215.293 0.310 20 0 BCADHN COCCN1CCC(N2CCOC2=O)CC1 ZINC000852721514 588698018 /nfs/dbraw/zinc/69/80/18/588698018.db2.gz QCXQKAGEFHLOCQ-UHFFFAOYSA-N 0 3 228.292 0.549 20 0 BCADHN Cc1nnsc1CN1CCNC[C@@H]1C(F)F ZINC000852750156 588699930 /nfs/dbraw/zinc/69/99/30/588699930.db2.gz WXPJFPHNQAHCHX-SSDOTTSWSA-N 0 3 248.302 0.885 20 0 BCADHN CCCCN(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852800586 588700648 /nfs/dbraw/zinc/70/06/48/588700648.db2.gz QGWOSFWGZHLFKB-QMMMGPOBSA-N 0 3 213.281 0.349 20 0 BCADHN O=C(NC1CCCC1)[C@@H]1NCC12CCOCC2 ZINC000852771007 588701237 /nfs/dbraw/zinc/70/12/37/588701237.db2.gz IJXDTWSBFKBYHT-NSHDSACASA-N 0 3 238.331 0.814 20 0 BCADHN CN(C[C@H]1CC1(C)C)[C@@H]1CCC(=O)NC1=O ZINC000852771265 588701360 /nfs/dbraw/zinc/70/13/60/588701360.db2.gz CSSRSPQVTHWYLE-RKDXNWHRSA-N 0 3 224.304 0.770 20 0 BCADHN CCOCCNC(=O)[C@@H]1NCC12CCCC2 ZINC000852789313 588701542 /nfs/dbraw/zinc/70/15/42/588701542.db2.gz AHUJEKFPGFMTAV-JTQLQIEISA-N 0 3 226.320 0.671 20 0 BCADHN CC(C)CNC(=O)[C@H]1NCC12CCOCC2 ZINC000852774776 588701973 /nfs/dbraw/zinc/70/19/73/588701973.db2.gz YZPYQFHJUKXMQV-SNVBAGLBSA-N 0 3 226.320 0.527 20 0 BCADHN CCOC(=O)CNC(=O)[C@@H]1NCC12CCCC2 ZINC000852791221 588702986 /nfs/dbraw/zinc/70/29/86/588702986.db2.gz ZIJMUDXJSFTJRU-JTQLQIEISA-N 0 3 240.303 0.198 20 0 BCADHN C[C@@H](NN1C[C@@H](C)N[C@@H](C)C1)c1ncnn1C ZINC000852796592 588703472 /nfs/dbraw/zinc/70/34/72/588703472.db2.gz GDIPFWQTVVJZCB-KXUCPTDWSA-N 0 3 238.339 0.063 20 0 BCADHN CCC/C=C\C(=O)N1CCN(C)C[C@H]1CN ZINC000852797846 588703717 /nfs/dbraw/zinc/70/37/17/588703717.db2.gz CEZUZXLPBLOOFJ-ISALQUGTSA-N 0 3 225.336 0.444 20 0 BCADHN CCCN(CC)C(=O)C1=NO[C@H](CN)C1 ZINC000852807874 588704976 /nfs/dbraw/zinc/70/49/76/588704976.db2.gz BBVLBEXSAAXYCB-QMMMGPOBSA-N 0 3 213.281 0.349 20 0 BCADHN CCCCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852799549 588703987 /nfs/dbraw/zinc/70/39/87/588703987.db2.gz HTFDNVYFNMEDCV-QMMMGPOBSA-N 0 3 213.281 0.396 20 0 BCADHN NC[C@@H]1CC(C(=O)Nc2ccccc2F)=NO1 ZINC000852798811 588703993 /nfs/dbraw/zinc/70/39/93/588703993.db2.gz BNMFVZUZFWRIDV-ZETCQYMHSA-N 0 3 237.234 0.868 20 0 BCADHN CC(C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852800291 588704347 /nfs/dbraw/zinc/70/43/47/588704347.db2.gz NANFGPQLVCCZKV-QMMMGPOBSA-N 0 3 213.281 0.252 20 0 BCADHN NC[C@@H]1CC(C(=O)N2CCCCCCC2)=NO1 ZINC000852801050 588704384 /nfs/dbraw/zinc/70/43/84/588704384.db2.gz FJYYDGDREGSXDC-JTQLQIEISA-N 0 3 239.319 0.883 20 0 BCADHN C[C@@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852801403 588704455 /nfs/dbraw/zinc/70/44/55/588704455.db2.gz ZLSHEOZEOTWKRE-RKDXNWHRSA-N 0 3 225.292 0.349 20 0 BCADHN CCCN(CC1CC1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852801424 588704473 /nfs/dbraw/zinc/70/44/73/588704473.db2.gz KOENWUSLZSLVQE-SNVBAGLBSA-N 0 3 239.319 0.739 20 0 BCADHN CCC[C@@H](C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852801598 588704486 /nfs/dbraw/zinc/70/44/86/588704486.db2.gz QYYNDALPRGIKPS-SFYZADRCSA-N 0 3 213.281 0.395 20 0 BCADHN CCC[C@@H](C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852801596 588704722 /nfs/dbraw/zinc/70/47/22/588704722.db2.gz QYYNDALPRGIKPS-HTQZYQBOSA-N 0 3 213.281 0.395 20 0 BCADHN Cc1cccc(CNC(=O)C2=NO[C@H](CN)C2)c1 ZINC000852809825 588704785 /nfs/dbraw/zinc/70/47/85/588704785.db2.gz MQHWPIKHQQVMLZ-NSHDSACASA-N 0 3 247.298 0.715 20 0 BCADHN CCN(C(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000852812278 588705175 /nfs/dbraw/zinc/70/51/75/588705175.db2.gz RWYUVWSXLXZDKI-MRVPVSSYSA-N 0 3 211.265 0.101 20 0 BCADHN CCCCOCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852818212 588705180 /nfs/dbraw/zinc/70/51/80/588705180.db2.gz FODZAYXUQLGVPX-SECBINFHSA-N 0 3 243.307 0.023 20 0 BCADHN CC(C)N(C(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000852815399 588705438 /nfs/dbraw/zinc/70/54/38/588705438.db2.gz ZGGJEGOWDHASTC-SECBINFHSA-N 0 3 225.292 0.489 20 0 BCADHN C[C@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852823090 588705660 /nfs/dbraw/zinc/70/56/60/588705660.db2.gz INRSBAUQRKFKQL-UWVGGRQHSA-N 0 3 239.319 0.739 20 0 BCADHN CC[C@@H]1CCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852820268 588705844 /nfs/dbraw/zinc/70/58/44/588705844.db2.gz TXSFFINZWCVFBA-BDAKNGLRSA-N 0 3 225.292 0.491 20 0 BCADHN CCCCOC(=O)CNC(=O)CNC(C)C ZINC000852821705 588705879 /nfs/dbraw/zinc/70/58/79/588705879.db2.gz WLIDORGWUVZHQU-UHFFFAOYSA-N 0 3 230.308 0.444 20 0 BCADHN CN(CC1CCCC1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852826816 588706082 /nfs/dbraw/zinc/70/60/82/588706082.db2.gz ZMQGLGHCPQCVFU-SNVBAGLBSA-N 0 3 239.319 0.739 20 0 BCADHN C[C@@H]1CCC[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852835359 588706802 /nfs/dbraw/zinc/70/68/02/588706802.db2.gz LMGRMNDHVQXAQE-HRDYMLBCSA-N 0 3 225.292 0.395 20 0 BCADHN CCC(C)(CC)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852840051 588707088 /nfs/dbraw/zinc/70/70/88/588707088.db2.gz IPLLLBAIPUJDGD-MRVPVSSYSA-N 0 3 227.308 0.785 20 0 BCADHN COC1CC(CCNC(=O)[C@@]2(F)CCNC2)C1 ZINC000852840669 588707399 /nfs/dbraw/zinc/70/73/99/588707399.db2.gz XJGHPLFCYGAJBO-RTYFJBAXSA-N 0 3 244.310 0.619 20 0 BCADHN CC1(C)CCC[C@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852841601 588707424 /nfs/dbraw/zinc/70/74/24/588707424.db2.gz NPJJIFKJBNCMIZ-PSASIEDQSA-N 0 3 239.319 0.785 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1C[C@@H]1N)c1ccccn1 ZINC000852840307 588707511 /nfs/dbraw/zinc/70/75/11/588707511.db2.gz MQRKHSHXEUHYRZ-BBBLOLIVSA-N 0 3 219.288 0.649 20 0 BCADHN C[C@@H]1C[C@H](C)N(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852845223 588707792 /nfs/dbraw/zinc/70/77/92/588707792.db2.gz DHLPJJVIUHZPPX-HRDYMLBCSA-N 0 3 225.292 0.347 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000852844230 588707828 /nfs/dbraw/zinc/70/78/28/588707828.db2.gz APJIGZFQVRPQNX-USWWRNFRSA-N 0 3 238.331 0.907 20 0 BCADHN Nc1ccc(C(=O)NCC2([NH3+])CCCC2)c([O-])c1 ZINC000852852217 588708311 /nfs/dbraw/zinc/70/83/11/588708311.db2.gz QRQUKJJZDPLPME-UHFFFAOYSA-N 0 3 249.314 0.976 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1C(=O)C1=NO[C@H](CN)C1 ZINC000852853808 588708325 /nfs/dbraw/zinc/70/83/25/588708325.db2.gz SFLOFAYMBMAVBA-HLTSFMKQSA-N 0 3 225.292 0.489 20 0 BCADHN CC[C@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852852559 588708343 /nfs/dbraw/zinc/70/83/43/588708343.db2.gz ATHRDYCIVABDFT-DTWKUNHWSA-N 0 3 225.292 0.349 20 0 BCADHN C[C@@H]1CC[C@H](C)N1C(=O)C1=NO[C@@H](CN)C1 ZINC000852853809 588708365 /nfs/dbraw/zinc/70/83/65/588708365.db2.gz SFLOFAYMBMAVBA-HRDYMLBCSA-N 0 3 225.292 0.489 20 0 BCADHN CC(C)(F)CCNC(=O)[C@]1(F)CCNC1 ZINC000852854753 588708610 /nfs/dbraw/zinc/70/86/10/588708610.db2.gz ONQNRXOWIRVRNR-JTQLQIEISA-N 0 3 220.263 0.942 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)C[C@@H]1COCCO1 ZINC000852855988 588708629 /nfs/dbraw/zinc/70/86/29/588708629.db2.gz KMKSCDRFAUJFOW-MWLCHTKSSA-N 0 3 242.319 0.001 20 0 BCADHN CNCC(=O)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000852855579 588708659 /nfs/dbraw/zinc/70/86/59/588708659.db2.gz FWYYSDCJQZAODI-WDEREUQCSA-N 0 3 220.272 0.500 20 0 BCADHN Nc1ccc(C(=O)N2CC3CC2(C[NH3+])C3)c([O-])c1 ZINC000852858703 588708762 /nfs/dbraw/zinc/70/87/62/588708762.db2.gz GJLPYSCXYXLMLW-UHFFFAOYSA-N 0 3 247.298 0.538 20 0 BCADHN CN(C(=O)C1=NO[C@@H](CN)C1)[C@@H]1CCSC1 ZINC000852874157 588708841 /nfs/dbraw/zinc/70/88/41/588708841.db2.gz LTWNKCUAMIDJTA-HTQZYQBOSA-N 0 3 243.332 0.054 20 0 BCADHN NC[C@H]1CC(C(=O)Nc2ccc(F)cn2)=NO1 ZINC000852857588 588708882 /nfs/dbraw/zinc/70/88/82/588708882.db2.gz YBFFVGKHFDAYRN-SSDOTTSWSA-N 0 3 238.222 0.263 20 0 BCADHN [NH3+]C1(CC(=O)[N-]O[C@@H]2CCCCO2)CC1 ZINC000852856713 588708895 /nfs/dbraw/zinc/70/88/95/588708895.db2.gz UIPKQLKPKRCHKE-SECBINFHSA-N 0 3 214.265 0.442 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000852861169 588709162 /nfs/dbraw/zinc/70/91/62/588709162.db2.gz PYCUXAWVHPFUAC-CWSCBRNRSA-N 0 3 238.331 0.622 20 0 BCADHN Cn1ccnc1[C@@H]1N(C(=O)[C@@H]2C[C@@H]2N)CC1(C)C ZINC000852873140 588709792 /nfs/dbraw/zinc/70/97/92/588709792.db2.gz PPRZSQUYHDXFGB-UTLUCORTSA-N 0 3 248.330 0.677 20 0 BCADHN NC[C@H]1CC(C(=O)Nc2cccc(O)c2)=NO1 ZINC000852875404 588709985 /nfs/dbraw/zinc/70/99/85/588709985.db2.gz JQYRKWCSYQOKQT-SECBINFHSA-N 0 3 235.243 0.434 20 0 BCADHN CC(C)C[C@H](C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852883989 588711172 /nfs/dbraw/zinc/71/11/72/588711172.db2.gz CIBXNUIZOIURFV-DTWKUNHWSA-N 0 3 227.308 0.641 20 0 BCADHN NC[C@H]1CC(C(=O)N[C@@H]2CC=CCC2)=NO1 ZINC000852895117 588711421 /nfs/dbraw/zinc/71/14/21/588711421.db2.gz XJMYZZPSVWLSPZ-RKDXNWHRSA-N 0 3 223.276 0.315 20 0 BCADHN CCCN(C(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000852887404 588711471 /nfs/dbraw/zinc/71/14/71/588711471.db2.gz MQJXXYSDVIVSQO-SECBINFHSA-N 0 3 225.292 0.491 20 0 BCADHN CC(F)(F)CNC(=O)[C@]1(F)CCNC1 ZINC000852912375 588712833 /nfs/dbraw/zinc/71/28/33/588712833.db2.gz QWQVFHJDJXJTAY-QMMMGPOBSA-N 0 3 210.199 0.459 20 0 BCADHN C[C@@H](NC(=O)[C@]1(F)CCNC1)c1nccn1C ZINC000852916796 588713025 /nfs/dbraw/zinc/71/30/25/588713025.db2.gz BNJCYQKAQFMXLA-KCJUWKMLSA-N 0 3 240.282 0.299 20 0 BCADHN CCNCC(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000852917160 588713081 /nfs/dbraw/zinc/71/30/81/588713081.db2.gz WBEIYPOLVQYAIO-DTORHVGOSA-N 0 3 228.292 0.006 20 0 BCADHN CCNCC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000852914886 588713148 /nfs/dbraw/zinc/71/31/48/588713148.db2.gz JXFPJCDCNCXQMQ-LBPRGKRZSA-N 0 3 226.320 0.625 20 0 BCADHN CN(C[C@H]1CC1(C)C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852924571 588713622 /nfs/dbraw/zinc/71/36/22/588713622.db2.gz LPJGTAJGFBAYTK-RKDXNWHRSA-N 0 3 239.319 0.595 20 0 BCADHN CC[C@H](N)C(=O)N1CCC(NC(=O)OC)CC1 ZINC000852924779 588713752 /nfs/dbraw/zinc/71/37/52/588713752.db2.gz QSDDGSYRUDFVPE-VIFPVBQESA-N 0 3 243.307 0.071 20 0 BCADHN Cc1ccnn1CC(=O)NCC1=CCN(C)CC1 ZINC000860612749 589110263 /nfs/dbraw/zinc/11/02/63/589110263.db2.gz JEDAROBHXORIRW-UHFFFAOYSA-N 0 3 248.330 0.570 20 0 BCADHN Cc1cncn1CC(=O)O[C@H](C)c1nnc[nH]1 ZINC000860890131 589126205 /nfs/dbraw/zinc/12/62/05/589126205.db2.gz ATZYQKXWZHKHOB-MRVPVSSYSA-N 0 3 235.247 0.614 20 0 BCADHN Cc1ccnn1CC(=O)N[C@@H](C)CN(C)C ZINC000861702421 589175100 /nfs/dbraw/zinc/17/51/00/589175100.db2.gz NUFITJNPWBEAAG-VIFPVBQESA-N 0 3 224.308 0.258 20 0 BCADHN C/C=C(/C)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861710197 589175590 /nfs/dbraw/zinc/17/55/90/589175590.db2.gz AMKNQFMTNPYJAB-HUWORAJQSA-N 0 3 238.331 0.620 20 0 BCADHN CN(C)CCNC(=S)NC[C@@H]1CCCO1 ZINC000013765495 589177641 /nfs/dbraw/zinc/17/76/41/589177641.db2.gz ABGQEEJSYIJYPY-VIFPVBQESA-N 0 3 231.365 0.191 20 0 BCADHN Cc1ccnn1CC(=O)NCC1(N(C)C)CC1 ZINC000862008421 589190201 /nfs/dbraw/zinc/19/02/01/589190201.db2.gz OJEQJMMOYQNNKY-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN Cc1c(CNCC2(CO)COC2)ccnc1F ZINC000862291565 589200319 /nfs/dbraw/zinc/20/03/19/589200319.db2.gz RFZAJQQADHNWGS-UHFFFAOYSA-N 0 3 240.278 0.628 20 0 BCADHN CCON(CC)C(=O)CN[C@@H]1CCCOC1 ZINC000862451824 589215315 /nfs/dbraw/zinc/21/53/15/589215315.db2.gz HHAVORFEUCFCGT-SNVBAGLBSA-N 0 3 230.308 0.555 20 0 BCADHN COC(=O)C1=CC[C@H](NCc2cn[nH]c2)C1 ZINC000862465782 589216385 /nfs/dbraw/zinc/21/63/85/589216385.db2.gz UEUMBUDTDMTLOH-JTQLQIEISA-N 0 3 221.260 0.761 20 0 BCADHN COC(=O)C1=CC[C@@H](NCc2cncnc2)C1 ZINC000862467840 589216670 /nfs/dbraw/zinc/21/66/70/589216670.db2.gz ZNNGVVRIYKMARB-LLVKDONJSA-N 0 3 233.271 0.828 20 0 BCADHN Cc1c(CN[C@H]2C[C@H](C(N)=O)C2)ccnc1F ZINC000862482758 589216866 /nfs/dbraw/zinc/21/68/66/589216866.db2.gz BAXNNJVGELQXSH-MGCOHNPYSA-N 0 3 237.278 0.883 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1CC[C@H]1SC ZINC000862542028 589218534 /nfs/dbraw/zinc/21/85/34/589218534.db2.gz CLTQZCKJHLGIGO-IWSPIJDZSA-N 0 3 232.349 0.878 20 0 BCADHN COC1CC(N[C@H](C)C(=O)N(C)OC)C1 ZINC000862542304 589218702 /nfs/dbraw/zinc/21/87/02/589218702.db2.gz LHKRDVRBPQVHGZ-AFPNSQJFSA-N 0 3 216.281 0.162 20 0 BCADHN CN1CCC(CC(=O)NN2CCOC2=O)CC1 ZINC000862702754 589234832 /nfs/dbraw/zinc/23/48/32/589234832.db2.gz OTNZKTIUSNREGZ-UHFFFAOYSA-N 0 3 241.291 0.202 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)/C=C/[C@@H]1CCOC1 ZINC000862725946 589236641 /nfs/dbraw/zinc/23/66/41/589236641.db2.gz DDVDPZHXCMNDLC-GKUNOOHESA-N 0 3 238.331 0.790 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)/C=C\[C@@H]1CCOC1 ZINC000862725949 589236901 /nfs/dbraw/zinc/23/69/01/589236901.db2.gz DDVDPZHXCMNDLC-XLMCQVRKSA-N 0 3 238.331 0.790 20 0 BCADHN CONC(=O)NC[C@H]1CCCN(C)C1 ZINC000119075863 589237203 /nfs/dbraw/zinc/23/72/03/589237203.db2.gz FKWVRRZCAHAPFC-MRVPVSSYSA-N 0 3 201.270 0.189 20 0 BCADHN CCCN1CCC[C@H]1C(=O)Nn1cccn1 ZINC000862765627 589238687 /nfs/dbraw/zinc/23/86/87/589238687.db2.gz FQGMPJXTWFRPSV-JTQLQIEISA-N 0 3 222.292 0.828 20 0 BCADHN CN(C)C1(C(=O)N2CC3(C2)CCCO3)CCC1 ZINC000862820135 589242944 /nfs/dbraw/zinc/24/29/44/589242944.db2.gz WPTGXOHWLPKDOG-UHFFFAOYSA-N 0 3 238.331 0.862 20 0 BCADHN CCCCC[C@@H](NC(=O)CN)C(=O)OC ZINC000119248314 589253900 /nfs/dbraw/zinc/25/39/00/589253900.db2.gz CSTDRAGCYAFNFF-MRVPVSSYSA-N 0 3 216.281 0.183 20 0 BCADHN CN(C)CCNC(=S)NCC1CC=CC1 ZINC000863209628 589271432 /nfs/dbraw/zinc/27/14/32/589271432.db2.gz NXMTXBUBAQGRAX-UHFFFAOYSA-N 0 3 227.377 0.978 20 0 BCADHN C/C=C\CNC(=S)NCCN(C)C ZINC000863231918 589273598 /nfs/dbraw/zinc/27/35/98/589273598.db2.gz DFEYGSIAXFSVLF-PLNGDYQASA-N 0 3 201.339 0.588 20 0 BCADHN COCCN(C)CCNC(=O)NOCC(C)C ZINC000119372306 589275011 /nfs/dbraw/zinc/27/50/11/589275011.db2.gz WLQKKEMDYFGEKO-UHFFFAOYSA-N 0 3 247.339 0.451 20 0 BCADHN Clc1ncccc1CNC[C@@H]1COCCN1 ZINC000863483108 589292801 /nfs/dbraw/zinc/29/28/01/589292801.db2.gz KPVNVDXLYVVMPC-SNVBAGLBSA-N 0 3 241.722 0.813 20 0 BCADHN CN1CCC[C@H]1CNC(=O)/C=C/c1ccncn1 ZINC000863504032 589294793 /nfs/dbraw/zinc/29/47/93/589294793.db2.gz YRSKZJIBIHMLRP-ITKZLYELSA-N 0 3 246.314 0.700 20 0 BCADHN c1[nH]nc2c1[C@@H](NC[C@@H]1COCCN1)CCC2 ZINC000863545376 589297795 /nfs/dbraw/zinc/29/77/95/589297795.db2.gz PXXBGJNTKVFYMP-KOLCDFICSA-N 0 3 236.319 0.365 20 0 BCADHN CCn1nncc1CNC[C@@H](O)C1CC1 ZINC000863561083 589299203 /nfs/dbraw/zinc/29/92/03/589299203.db2.gz URDYWMXXZUNBFE-SNVBAGLBSA-N 0 3 210.281 0.159 20 0 BCADHN CS(=O)(=O)CCNCC[C@H]1CCCOC1 ZINC000863564253 589299437 /nfs/dbraw/zinc/29/94/37/589299437.db2.gz VRPAFZSKJUSZFY-SNVBAGLBSA-N 0 3 235.349 0.437 20 0 BCADHN CON(C)C(=O)CCNCc1cccnc1C ZINC000863578791 589301120 /nfs/dbraw/zinc/30/11/20/589301120.db2.gz UXGRTMISHRIVNA-UHFFFAOYSA-N 0 3 237.303 0.890 20 0 BCADHN CCC/C(C)=C\C(=O)NCCN1CC[C@H](O)C1 ZINC000863832212 589321855 /nfs/dbraw/zinc/32/18/55/589321855.db2.gz VEUWMEQHHPNTAI-MMRAYRKESA-N 0 3 240.347 0.916 20 0 BCADHN CN(CC(=O)N1CC[C@H](O)C1(C)C)C1CCC1 ZINC000863918262 589325987 /nfs/dbraw/zinc/32/59/87/589325987.db2.gz JHLJOMWSJUSLAL-NSHDSACASA-N 0 3 240.347 0.843 20 0 BCADHN COc1cncc(CNC[C@@H](O)[C@@H](C)O)c1C ZINC000864052795 589335412 /nfs/dbraw/zinc/33/54/12/589335412.db2.gz POTXIPGLEFKGIA-MWLCHTKSSA-N 0 3 240.303 0.230 20 0 BCADHN C/C=C\[C@H](O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000864061817 589336992 /nfs/dbraw/zinc/33/69/92/589336992.db2.gz BNIGAVASBZMFNH-GZTOBOFZSA-N 0 3 240.347 0.866 20 0 BCADHN C[C@]1(NC(=O)Cc2c[nH]cn2)CN2CCC1CC2 ZINC000864083897 589341984 /nfs/dbraw/zinc/34/19/84/589341984.db2.gz FLCUYWHOMXOKGO-ZDUSSCGKSA-N 0 3 248.330 0.553 20 0 BCADHN CNC(=O)N(CCOC)CC1CCN(C)CC1 ZINC000864407953 589359293 /nfs/dbraw/zinc/35/92/93/589359293.db2.gz RCSZXQGFTYKAIC-UHFFFAOYSA-N 0 3 243.351 0.616 20 0 BCADHN CN(C)CCNC(=O)c1cnc2nccn2c1 ZINC000864416134 589360776 /nfs/dbraw/zinc/36/07/76/589360776.db2.gz MFAZJWUTXBKJQT-UHFFFAOYSA-N 0 3 233.275 0.021 20 0 BCADHN CN(C)Cc1ccc(-c2nn(C)c(=O)n2C)cc1 ZINC000864533969 589375675 /nfs/dbraw/zinc/37/56/75/589375675.db2.gz VUIRPQMGANAMRC-UHFFFAOYSA-N 0 3 246.314 0.847 20 0 BCADHN CC(C)N1CCN(CC[C@@H]2CCOC2=O)CC1 ZINC000120130460 589382494 /nfs/dbraw/zinc/38/24/94/589382494.db2.gz PKFVRVGVOUHPMS-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C)CCn1cc([C@H]2CCCC[C@H]2O)nn1 ZINC000864623572 589384656 /nfs/dbraw/zinc/38/46/56/589384656.db2.gz WUOGRNCCIDRFEF-ZYHUDNBSSA-N 0 3 238.335 0.858 20 0 BCADHN Cc1cccnc1-n1cc([C@H](C)N)nn1 ZINC000864636164 589385970 /nfs/dbraw/zinc/38/59/70/589385970.db2.gz AQVNPWQTUPWPJA-QMMMGPOBSA-N 0 3 203.249 0.990 20 0 BCADHN C[C@@H](N)c1cn([C@H](C)C(=O)C2CC2)nn1 ZINC000864641492 589386179 /nfs/dbraw/zinc/38/61/79/589386179.db2.gz BEMJUKNSCZSCCN-RNFRBKRXSA-N 0 3 208.265 0.838 20 0 BCADHN C[C@H](N)c1cn([C@@H](C)C(=O)C2CC2)nn1 ZINC000864641490 589387117 /nfs/dbraw/zinc/38/71/17/589387117.db2.gz BEMJUKNSCZSCCN-BQBZGAKWSA-N 0 3 208.265 0.838 20 0 BCADHN CC[S@](=O)CCNC[C@H](O)COC(C)C ZINC000217331699 589398338 /nfs/dbraw/zinc/39/83/38/589398338.db2.gz NRFZNWAFPPGVFH-BONVTDFDSA-N 0 3 237.365 0.131 20 0 BCADHN CC[C@@H]1[C@@H](C(=O)Nc2nc[n-]n2)CC[N@@H+]1C ZINC000864925990 589400909 /nfs/dbraw/zinc/40/09/09/589400909.db2.gz BBKSEENCAHJYSS-JGVFFNPUSA-N 0 3 223.280 0.474 20 0 BCADHN CC[C@@H]1[C@@H](C(=O)Nc2nc[n-]n2)CC[N@H+]1C ZINC000864925990 589400911 /nfs/dbraw/zinc/40/09/11/589400911.db2.gz BBKSEENCAHJYSS-JGVFFNPUSA-N 0 3 223.280 0.474 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)O2)C1 ZINC000865131406 589410323 /nfs/dbraw/zinc/41/03/23/589410323.db2.gz XIHXAZSWQPGBIW-NXEZZACHSA-N 0 3 240.303 0.245 20 0 BCADHN COC/C=C\C(=O)N[C@@H]1CCCN(C)C1 ZINC000865183882 589413396 /nfs/dbraw/zinc/41/33/96/589413396.db2.gz MVZSUVBDLZHRQW-AYYIZTPMSA-N 0 3 212.293 0.399 20 0 BCADHN CN(CC[C@@H]1CCCN1C)CCS(C)(=O)=O ZINC000120453949 589415988 /nfs/dbraw/zinc/41/59/88/589415988.db2.gz CAUAGJPPJPEETM-NSHDSACASA-N 0 3 248.392 0.447 20 0 BCADHN c1ncn(CCCNCc2cn(C3CC3)cn2)n1 ZINC000865408687 589433576 /nfs/dbraw/zinc/43/35/76/589433576.db2.gz CSINMPLKBCHZSB-UHFFFAOYSA-N 0 3 246.318 0.989 20 0 BCADHN CN(C)c1ccc(F)cc1CNCCO ZINC000865403774 589433863 /nfs/dbraw/zinc/43/38/63/589433863.db2.gz OXJFLFZFNWPTEQ-UHFFFAOYSA-N 0 3 212.268 0.974 20 0 BCADHN CNC(=O)CCCNCc1cn(C2CC2)cn1 ZINC000865433806 589435425 /nfs/dbraw/zinc/43/54/25/589435425.db2.gz JZFNLUJXDLONLV-UHFFFAOYSA-N 0 3 236.319 0.834 20 0 BCADHN CN1CC[C@H](NCc2cnc3c(cnn3C)c2)C1 ZINC000865450484 589436888 /nfs/dbraw/zinc/43/68/88/589436888.db2.gz CDFFVHLKJZWWCV-LBPRGKRZSA-N 0 3 245.330 0.762 20 0 BCADHN Cn1ncc2cc(CNCC3(O)CCC3)cnc21 ZINC000865456918 589437368 /nfs/dbraw/zinc/43/73/68/589437368.db2.gz CDXSTVBHUILNOS-UHFFFAOYSA-N 0 3 246.314 0.973 20 0 BCADHN C[C@@H](O)CCNCc1cnc2c(cnn2C)c1 ZINC000865464915 589437992 /nfs/dbraw/zinc/43/79/92/589437992.db2.gz QLHWIFHESYMLGN-SECBINFHSA-N 0 3 234.303 0.829 20 0 BCADHN C[S@](=O)CCCNCc1ccc(=O)[nH]c1 ZINC000865466965 589438520 /nfs/dbraw/zinc/43/85/20/589438520.db2.gz SDASLFYJWORZMN-HNNXBMFYSA-N 0 3 228.317 0.645 20 0 BCADHN Cn1cc([C@H](O)CNCc2ccc(=O)[nH]c2)cn1 ZINC000865475174 589439480 /nfs/dbraw/zinc/43/94/80/589439480.db2.gz SZBGXYVZHVCEPT-LLVKDONJSA-N 0 3 248.286 0.344 20 0 BCADHN C[C@@](O)(CO)CNCc1cnc(Cl)c(F)c1 ZINC000865549364 589445729 /nfs/dbraw/zinc/44/57/29/589445729.db2.gz NYYXEMXYRIORQG-JTQLQIEISA-N 0 3 248.685 0.707 20 0 BCADHN C[C@](O)(CO)CNCc1cnc(Cl)c(F)c1 ZINC000865549366 589445761 /nfs/dbraw/zinc/44/57/61/589445761.db2.gz NYYXEMXYRIORQG-SNVBAGLBSA-N 0 3 248.685 0.707 20 0 BCADHN C[C@@H](CCO)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000120626170 589446369 /nfs/dbraw/zinc/44/63/69/589446369.db2.gz QUXAFWYEEXWQQS-VIFPVBQESA-N 0 3 244.335 0.966 20 0 BCADHN c1ncn(-c2cc(CN[C@H]3CCOC3)ccn2)n1 ZINC000865681772 589455868 /nfs/dbraw/zinc/45/58/68/589455868.db2.gz XYXLLHJSONIGNL-NSHDSACASA-N 0 3 245.286 0.541 20 0 BCADHN Cn1nncc1CN[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865695394 589456828 /nfs/dbraw/zinc/45/68/28/589456828.db2.gz YOSWMHCOXKEJLA-QATXWYEKSA-N 0 3 234.303 0.328 20 0 BCADHN Cn1cnc(CN[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC000865696223 589456897 /nfs/dbraw/zinc/45/68/97/589456897.db2.gz QQORDTKIRPSHAB-MNSQCTGESA-N 0 3 233.315 0.933 20 0 BCADHN c1cnc(CN[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cn1 ZINC000865696702 589456973 /nfs/dbraw/zinc/45/69/73/589456973.db2.gz SZBYFOUINXFRQX-MNSQCTGESA-N 0 3 231.299 0.990 20 0 BCADHN COC/C=C/C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000865718441 589458156 /nfs/dbraw/zinc/45/81/56/589458156.db2.gz ZKPKZZASIJQPSH-AAOUONPWSA-N 0 3 238.331 0.884 20 0 BCADHN COc1cc(C)ccc1CNC[C@@H](O)[C@H](C)O ZINC000865737974 589459317 /nfs/dbraw/zinc/45/93/17/589459317.db2.gz INMGQDACEOVRSL-CMPLNLGQSA-N 0 3 239.315 0.835 20 0 BCADHN Cc1nc(F)ccc1CNC[C@@H](O)[C@H](C)O ZINC000865739016 589459619 /nfs/dbraw/zinc/45/96/19/589459619.db2.gz MDTSXWIPXHVGLB-WCBMZHEXSA-N 0 3 228.267 0.360 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1cc2cccnc2o1 ZINC000865738586 589459713 /nfs/dbraw/zinc/45/97/13/589459713.db2.gz OENOOQQQZSWBHW-GZMMTYOYSA-N 0 3 236.271 0.659 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1ccccc1N(C)C ZINC000865741974 589460027 /nfs/dbraw/zinc/46/00/27/589460027.db2.gz VMEADEDBPNKVBW-GXFFZTMASA-N 0 3 238.331 0.584 20 0 BCADHN CN1CCn2nc(NCC3(C)COC3)cc2C1 ZINC000865844927 589464651 /nfs/dbraw/zinc/46/46/51/589464651.db2.gz JXHPQOLXMRJAKS-UHFFFAOYSA-N 0 3 236.319 0.777 20 0 BCADHN CN1CCn2nc(NCc3ncc[nH]3)cc2C1 ZINC000865844561 589464844 /nfs/dbraw/zinc/46/48/44/589464844.db2.gz OGYMPOSJFBPTPF-UHFFFAOYSA-N 0 3 232.291 0.664 20 0 BCADHN CN1CC[C@@H]2CN(c3ccc(F)nn3)C[C@@H]21 ZINC000865851811 589465139 /nfs/dbraw/zinc/46/51/39/589465139.db2.gz IYQNYTCSXYHYGC-BDAKNGLRSA-N 0 3 222.267 0.756 20 0 BCADHN CN(C)CCN(C(=O)c1nccc(N)n1)C1CC1 ZINC000865976625 589471096 /nfs/dbraw/zinc/47/10/96/589471096.db2.gz OYLGYGAEWADSHJ-UHFFFAOYSA-N 0 3 249.318 0.055 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1CCO[C@H]1C ZINC000120910638 589476647 /nfs/dbraw/zinc/47/66/47/589476647.db2.gz XLWNMXDZOPXBDP-IUCAKERBSA-N 0 3 221.322 0.188 20 0 BCADHN COC[C@H](C)OC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000866596506 589502873 /nfs/dbraw/zinc/50/28/73/589502873.db2.gz GMNSCZSBPYUYTQ-VHSXEESVSA-N 0 3 242.319 0.984 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCNC[C@H]1C(F)F ZINC000866665483 589509270 /nfs/dbraw/zinc/50/92/70/589509270.db2.gz GQMYTSSRKRYXLY-GUBZILKMSA-N 0 3 234.290 0.950 20 0 BCADHN [NH3+][C@H]1C[C@H](C[N-]S(=O)(=O)c2ccco2)C1 ZINC000866808006 589519037 /nfs/dbraw/zinc/51/90/37/589519037.db2.gz WMHFVJSGYDVROL-ZKCHVHJHSA-N 0 3 230.289 0.295 20 0 BCADHN COC/C=C\C(=O)NCC1(N(C)C)CCC1 ZINC000867658164 589529472 /nfs/dbraw/zinc/52/94/72/589529472.db2.gz LSSNELSXLALFML-XQRVVYSFSA-N 0 3 226.320 0.790 20 0 BCADHN CC[C@@](C)(CC(=O)OC)NC(=O)[C@H](C)N ZINC000121766945 589531719 /nfs/dbraw/zinc/53/17/19/589531719.db2.gz PPAWMMWBXGVJCM-XVKPBYJWSA-N 0 3 216.281 0.182 20 0 BCADHN CC[C@](C)(CC(=O)OC)NC(=O)[C@H](C)N ZINC000121767090 589531749 /nfs/dbraw/zinc/53/17/49/589531749.db2.gz PPAWMMWBXGVJCM-OIBJUYFYSA-N 0 3 216.281 0.182 20 0 BCADHN CC[C@H](N)C(=O)N[C@](C)(CC)CC(=O)OC ZINC000121768892 589531795 /nfs/dbraw/zinc/53/17/95/589531795.db2.gz ZQORBXLYLWQHPZ-GZMMTYOYSA-N 0 3 230.308 0.572 20 0 BCADHN CNCC(=O)NC[C@@H]1CCC12CCOCC2 ZINC000867993682 589542564 /nfs/dbraw/zinc/54/25/64/589542564.db2.gz ZJWRXFANPKFLSK-JTQLQIEISA-N 0 3 226.320 0.529 20 0 BCADHN CN1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@@H]1N ZINC000867998759 589543040 /nfs/dbraw/zinc/54/30/40/589543040.db2.gz GOBLJOFQSQAMSI-AGIUHOORSA-N 0 3 245.326 0.637 20 0 BCADHN CNCC(=O)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC000867997602 589543049 /nfs/dbraw/zinc/54/30/49/589543049.db2.gz XTRMOKLLJCZSIL-VIFPVBQESA-N 0 3 248.282 0.356 20 0 BCADHN COc1cccc2c1CN(C(=O)[C@@H]1C[C@@H]1N)C2 ZINC000868030495 589545429 /nfs/dbraw/zinc/54/54/29/589545429.db2.gz MZOAEJBJVHUWIB-KOLCDFICSA-N 0 3 232.283 0.885 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000868047465 589546695 /nfs/dbraw/zinc/54/66/95/589546695.db2.gz OHFYWPLDMKXHOX-FKTZTGRPSA-N 0 3 212.293 0.265 20 0 BCADHN CNCC(=O)NC1([C@H]2CCCCO2)CCC1 ZINC000868048396 589546728 /nfs/dbraw/zinc/54/67/28/589546728.db2.gz VOWOHZVFFWICFO-SNVBAGLBSA-N 0 3 226.320 0.814 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000868047466 589546787 /nfs/dbraw/zinc/54/67/87/589546787.db2.gz OHFYWPLDMKXHOX-UJNFCWOMSA-N 0 3 212.293 0.265 20 0 BCADHN CCNCC(=O)N[C@@H]1CCCn2nccc21 ZINC000868052676 589547298 /nfs/dbraw/zinc/54/72/98/589547298.db2.gz FHAGRMPRFNOPRM-SECBINFHSA-N 0 3 222.292 0.444 20 0 BCADHN COc1cccc2[nH]c(NC(=O)[C@H](C)N)nc21 ZINC000868063552 589547898 /nfs/dbraw/zinc/54/78/98/589547898.db2.gz YEGCDGLLHZMRRS-LURJTMIESA-N 0 3 234.259 0.857 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)CC2CSC2)CC1 ZINC000868091183 589549336 /nfs/dbraw/zinc/54/93/36/589549336.db2.gz WXPSPOXIPWFKKM-UHFFFAOYSA-N 0 3 244.360 0.882 20 0 BCADHN Cc1nocc1C(=O)NOC1CCN(C)CC1 ZINC000868090745 589549622 /nfs/dbraw/zinc/54/96/22/589549622.db2.gz OUMCNMUDWXTZHL-UHFFFAOYSA-N 0 3 239.275 0.739 20 0 BCADHN Cc1conc1C(=O)NOCCN(C)C ZINC000868628531 589569036 /nfs/dbraw/zinc/56/90/36/589569036.db2.gz ZALYXMMWHSPYLY-UHFFFAOYSA-N 0 3 213.237 0.206 20 0 BCADHN COC(=O)CCCCCCCNC(=O)[C@@H](C)N ZINC000122529344 589599507 /nfs/dbraw/zinc/59/95/07/589599507.db2.gz WJFBPECXBBWMRA-SNVBAGLBSA-N 0 3 244.335 0.963 20 0 BCADHN COc1cncc(NC(=O)[C@H]2CCN(C)C2)c1 ZINC000869756130 589627485 /nfs/dbraw/zinc/62/74/85/589627485.db2.gz NBMKNCCBKOLBSU-VIFPVBQESA-N 0 3 235.287 0.980 20 0 BCADHN C/C=C\C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869785954 589630211 /nfs/dbraw/zinc/63/02/11/589630211.db2.gz LWMHEKUIIAABQX-LWTINBJPSA-N 0 3 226.320 0.524 20 0 BCADHN CN(C)C1(C(=O)N[C@H]2C[C@@H](CO)C2)CCC1 ZINC000869871694 589633885 /nfs/dbraw/zinc/63/38/85/589633885.db2.gz FKDSTNWAUPMWEG-AOOOYVTPSA-N 0 3 226.320 0.358 20 0 BCADHN CC(C)[NH2+]CCC(=O)[N-]O[C@@H]1CCCCO1 ZINC000123160203 589667178 /nfs/dbraw/zinc/66/71/78/589667178.db2.gz SNVKZXBRAHSTNC-LLVKDONJSA-N 0 3 230.308 0.949 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)c1ccn(C)n1 ZINC000870549289 589673552 /nfs/dbraw/zinc/67/35/52/589673552.db2.gz ZQTIZDMQSGMPKU-SECBINFHSA-N 0 3 225.292 0.917 20 0 BCADHN CCCC(=O)NCC(=O)O[C@@H](CC)CN(C)C ZINC000870550399 589674525 /nfs/dbraw/zinc/67/45/25/589674525.db2.gz FXNUVQWRWRWYEG-JTQLQIEISA-N 0 3 244.335 0.786 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)c1ccnn1C ZINC000870552614 589674722 /nfs/dbraw/zinc/67/47/22/589674722.db2.gz WSNHFSJOIOCQCI-SECBINFHSA-N 0 3 225.292 0.917 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)c1cnn(C)n1 ZINC000870553370 589675158 /nfs/dbraw/zinc/67/51/58/589675158.db2.gz JWKLXGRUVFGPIX-MRVPVSSYSA-N 0 3 226.280 0.312 20 0 BCADHN CC(C)[C@H](CN(C)C)OC(=O)[C@@H]1COC(=O)N1 ZINC000870563704 589675694 /nfs/dbraw/zinc/67/56/94/589675694.db2.gz AKIYKGJVKCVTOH-IUCAKERBSA-N 0 3 244.291 0.224 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)CCCCC(N)=O ZINC000870553524 589675863 /nfs/dbraw/zinc/67/58/63/589675863.db2.gz LWLOHSIGRPGAKC-JTQLQIEISA-N 0 3 244.335 0.916 20 0 BCADHN CC(C)[C@@H](CN(C)C)OC(=O)[C@H]1CCC(=O)O1 ZINC000870564915 589676466 /nfs/dbraw/zinc/67/64/66/589676466.db2.gz NLFOTAZXHRBEGD-NXEZZACHSA-N 0 3 243.303 0.821 20 0 BCADHN O=C(CCC12CC(C1)C[NH2+]2)Nc1ccncc1[O-] ZINC000870883901 589694069 /nfs/dbraw/zinc/69/40/69/589694069.db2.gz JLBVFSYBMPVNNY-UHFFFAOYSA-N 0 3 247.298 0.680 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000870963210 589701812 /nfs/dbraw/zinc/70/18/12/589701812.db2.gz VZNFHLRGABVMRF-SDDRHHMPSA-N 0 3 240.347 0.903 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000870981855 589704430 /nfs/dbraw/zinc/70/44/30/589704430.db2.gz KJWDYOKFCGSSGS-CIUDSAMLSA-N 0 3 214.334 0.545 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000870981858 589704820 /nfs/dbraw/zinc/70/48/20/589704820.db2.gz KJWDYOKFCGSSGS-HLTSFMKQSA-N 0 3 214.334 0.545 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000870985113 589705885 /nfs/dbraw/zinc/70/58/85/589705885.db2.gz IPLVZWBHXOCFCJ-GXSJLCMTSA-N 0 3 240.347 0.746 20 0 BCADHN CC1(C)C[C@H](O)CN(C(=O)CNC2CC2)C1 ZINC000870984680 589706253 /nfs/dbraw/zinc/70/62/53/589706253.db2.gz BQJOGZVZDUYDDQ-JTQLQIEISA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@H](C)c1ccnn1C ZINC000871010279 589710726 /nfs/dbraw/zinc/71/07/26/589710726.db2.gz AGMVZTFMPXVWIA-RKDXNWHRSA-N 0 3 236.319 0.738 20 0 BCADHN C[C@H](NC(=O)[C@@]1(F)CCNC1)c1ccnn1C ZINC000871011833 589711127 /nfs/dbraw/zinc/71/11/27/589711127.db2.gz ZVLUXAYAYFNORF-GZMMTYOYSA-N 0 3 240.282 0.299 20 0 BCADHN O=C(Nc1ccn(CCF)n1)[C@]1(F)CCNC1 ZINC000871010931 589711321 /nfs/dbraw/zinc/71/13/21/589711321.db2.gz LPFVQXWWYRUAAB-JTQLQIEISA-N 0 3 244.245 0.493 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@@H]1CCCn2nccc21 ZINC000871020728 589713110 /nfs/dbraw/zinc/71/31/10/589713110.db2.gz IUGYVZIFXBRSTK-GXSJLCMTSA-N 0 3 248.330 0.975 20 0 BCADHN CN1CCN(C(=O)C2(C)COC2)CCC1(C)C ZINC000871156379 589739610 /nfs/dbraw/zinc/73/96/10/589739610.db2.gz YOGZRNHXNSOCSO-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN C(CN1CCN(CC2CC2)CC1)C1OCCO1 ZINC000123853148 589829827 /nfs/dbraw/zinc/82/98/27/589829827.db2.gz JDBJFHIPMAGGOH-UHFFFAOYSA-N 0 3 240.347 0.777 20 0 BCADHN COCCN(CCOC)C[C@@H](O)CC(C)(C)O ZINC000871966175 589848928 /nfs/dbraw/zinc/84/89/28/589848928.db2.gz YHUZCAQWVDHEHH-NSHDSACASA-N 0 3 249.351 0.103 20 0 BCADHN Cn1cc(CNC[C@@H](O)CC(C)(C)O)cn1 ZINC000871976175 589850890 /nfs/dbraw/zinc/85/08/90/589850890.db2.gz FTSOVQHVKPPXMZ-JTQLQIEISA-N 0 3 227.308 0.032 20 0 BCADHN CCN1CCN(C[C@@H](O)CC(C)(C)O)C[C@H]1C ZINC000871978137 589851184 /nfs/dbraw/zinc/85/11/84/589851184.db2.gz KLYLHTZDRBVIHG-NEPJUHHUSA-N 0 3 244.379 0.534 20 0 BCADHN CC(C)(O)C[C@H](O)CN1CC(C(C)(C)O)C1 ZINC000871981865 589851934 /nfs/dbraw/zinc/85/19/34/589851934.db2.gz PYNZNEDJXCJXQK-JTQLQIEISA-N 0 3 231.336 0.211 20 0 BCADHN Cn1nnnc1C1CCN([C@@H]2CCOC2)CC1 ZINC000872095056 589869075 /nfs/dbraw/zinc/86/90/75/589869075.db2.gz RCEDTTLMZXAYMO-SNVBAGLBSA-N 0 3 237.307 0.178 20 0 BCADHN C[C@@H](N[C@@H]1CCOC[C@H]1O)c1cncs1 ZINC000872141346 589882692 /nfs/dbraw/zinc/88/26/92/589882692.db2.gz SBWAMMHWNLYJMN-IWSPIJDZSA-N 0 3 228.317 0.944 20 0 BCADHN CCc1cc(CNC[C@H](O)CC(C)(C)O)n[nH]1 ZINC000872201444 589890174 /nfs/dbraw/zinc/89/01/74/589890174.db2.gz AHXUIOONHVUGFR-LLVKDONJSA-N 0 3 241.335 0.584 20 0 BCADHN CCc1cc(CNC[C@H](O)CC(C)(C)O)[nH]n1 ZINC000872201444 589890175 /nfs/dbraw/zinc/89/01/75/589890175.db2.gz AHXUIOONHVUGFR-LLVKDONJSA-N 0 3 241.335 0.584 20 0 BCADHN CC(C)(O)C[C@H](O)CNCCc1nccs1 ZINC000872198958 589890208 /nfs/dbraw/zinc/89/02/08/589890208.db2.gz FBTXJVWVSGXQQC-VIFPVBQESA-N 0 3 244.360 0.797 20 0 BCADHN Cn1ccc(CNC[C@@H](O)CC(C)(C)O)c1 ZINC000872202257 589891079 /nfs/dbraw/zinc/89/10/79/589891079.db2.gz DXIXLOZLUKQMRR-NSHDSACASA-N 0 3 226.320 0.637 20 0 BCADHN O[C@@H](CNC1CN(c2ccncn2)C1)C1CC1 ZINC000872225219 589897375 /nfs/dbraw/zinc/89/73/75/589897375.db2.gz DYOKFXHRLMHGDA-NSHDSACASA-N 0 3 234.303 0.026 20 0 BCADHN O[C@@H](CN[C@H]1CCC[C@@H]1O)c1ccccn1 ZINC000872224686 589897445 /nfs/dbraw/zinc/89/74/45/589897445.db2.gz JCIRWKXJPFIQRO-DLOVCJGASA-N 0 3 222.288 0.618 20 0 BCADHN CC[C@H](C(=O)N1CCNCCC1(C)C)N(C)C ZINC000872299772 589902843 /nfs/dbraw/zinc/90/28/43/589902843.db2.gz BHBXCFWVKHKLTH-LLVKDONJSA-N 0 3 241.379 0.927 20 0 BCADHN Cc1cc(NCC[S@](C)=O)nc(N)n1 ZINC000124019698 589905018 /nfs/dbraw/zinc/90/50/18/589905018.db2.gz AGBBPLLUJZPJFN-CQSZACIVSA-N 0 3 214.294 0.158 20 0 BCADHN Cc1cc(NCC[S@@](C)=O)nc(N)n1 ZINC000124019899 589904997 /nfs/dbraw/zinc/90/49/97/589904997.db2.gz AGBBPLLUJZPJFN-AWEZNQCLSA-N 0 3 214.294 0.158 20 0 BCADHN CC(C)NC(=O)CN[C@]12CCC[C@H]1OCC2 ZINC000872310318 589908624 /nfs/dbraw/zinc/90/86/24/589908624.db2.gz WJDLBUVJNPQPSK-PWSUYJOCSA-N 0 3 226.320 0.812 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872309678 589909069 /nfs/dbraw/zinc/90/90/69/589909069.db2.gz VJJBZUIKBJCHOR-RNSXUZJQSA-N 0 3 248.273 0.797 20 0 BCADHN COC(=O)[C@@](C)(O)CN[C@]12CCC[C@H]1OCC2 ZINC000872316327 589910864 /nfs/dbraw/zinc/91/08/64/589910864.db2.gz KQPAGRZKXSQGAT-USWWRNFRSA-N 0 3 243.303 0.212 20 0 BCADHN CN(CCC1OCCO1)CCN1CCOCC1 ZINC000124133359 589948897 /nfs/dbraw/zinc/94/88/97/589948897.db2.gz BHBWITNTIGWKHH-UHFFFAOYSA-N 0 3 244.335 0.013 20 0 BCADHN CN(C)CCCS(=O)(=O)N[C@H]1CC12CCC2 ZINC000872651330 589958785 /nfs/dbraw/zinc/95/87/85/589958785.db2.gz YLTSMZMOIQRZTQ-JTQLQIEISA-N 0 3 246.376 0.800 20 0 BCADHN CC(C)[C@H]1CN(CN2CCCC2=O)CCN1C ZINC000872735832 589965590 /nfs/dbraw/zinc/96/55/90/589965590.db2.gz ACBWHPWELMXBGI-GFCCVEGCSA-N 0 3 239.363 0.838 20 0 BCADHN Cc1ccnc(N2C[C@@H]3CCCN3C[C@@H]2CO)n1 ZINC000872758059 589966347 /nfs/dbraw/zinc/96/63/47/589966347.db2.gz RSKYCAYABGYFRM-NWDGAFQWSA-N 0 3 248.330 0.430 20 0 BCADHN OC[C@H]1CN2CCC[C@H]2CN1c1cnccn1 ZINC000872758264 589966394 /nfs/dbraw/zinc/96/63/94/589966394.db2.gz XCWGMOAZECVERZ-WDEREUQCSA-N 0 3 234.303 0.122 20 0 BCADHN C[C@@H](N)c1cn(Cc2cn3ccccc3n2)nn1 ZINC000124260989 589971692 /nfs/dbraw/zinc/97/16/92/589971692.db2.gz DBOVCCILRIZPAX-SECBINFHSA-N 0 3 242.286 0.994 20 0 BCADHN C[C@@H](N)c1cn([C@H](C)C(=O)N2CCCC2)nn1 ZINC000124282131 589972855 /nfs/dbraw/zinc/97/28/55/589972855.db2.gz STVBQKUINRTFBL-RKDXNWHRSA-N 0 3 237.307 0.481 20 0 BCADHN CCOC(CN(C)[C@@H](C)CO)OCC ZINC000124392274 589984439 /nfs/dbraw/zinc/98/44/39/589984439.db2.gz WAVQCHGWKYPPPR-VIFPVBQESA-N 0 3 205.298 0.698 20 0 BCADHN O=C1OCC[C@@H]1CCCNCc1cc[nH]n1 ZINC000873163608 589989259 /nfs/dbraw/zinc/98/92/59/589989259.db2.gz YCIBWPNMWABAOV-VIFPVBQESA-N 0 3 223.276 0.843 20 0 BCADHN Cn1ccc(CNCCC[C@H]2CCOC2=O)n1 ZINC000873162209 589989573 /nfs/dbraw/zinc/98/95/73/589989573.db2.gz IVFWPVUETHMDEB-JTQLQIEISA-N 0 3 237.303 0.853 20 0 BCADHN CC[C@]1(CO)CCCN1Cc1cnc(N)cn1 ZINC000873208298 589994061 /nfs/dbraw/zinc/99/40/61/589994061.db2.gz LZCZUPLVTYXYII-GFCCVEGCSA-N 0 3 236.319 0.796 20 0 BCADHN C[C@@H](NC[C@H]1C[C@H](O)C1)c1cnccc1N ZINC000873296541 590025051 /nfs/dbraw/zinc/02/50/51/590025051.db2.gz HZECXVJBJATMED-OPRDCNLKSA-N 0 3 221.304 0.916 20 0 BCADHN CC(C)N1C(=O)CC[C@H]1C(=O)NCCN(C)C ZINC000873735249 590069968 /nfs/dbraw/zinc/06/99/68/590069968.db2.gz BUAWOFYQSUJDCO-JTQLQIEISA-N 0 3 241.335 0.064 20 0 BCADHN CN1CCC(NC(=O)CN2CCCC2)CC1 ZINC000873835358 590073942 /nfs/dbraw/zinc/07/39/42/590073942.db2.gz OAQWCAMPAHTQKB-UHFFFAOYSA-N 0 3 225.336 0.293 20 0 BCADHN CC(C)C(=O)NCCNCc1cnn(C)c1 ZINC000020125420 590076422 /nfs/dbraw/zinc/07/64/22/590076422.db2.gz DQBRGQRXQDBBRB-UHFFFAOYSA-N 0 3 224.308 0.282 20 0 BCADHN Cc1nc(C(=O)N(CCN(C)C)C(C)C)no1 ZINC000124719683 590076755 /nfs/dbraw/zinc/07/67/55/590076755.db2.gz LGOPQRCSWICAMI-UHFFFAOYSA-N 0 3 240.307 0.790 20 0 BCADHN COC(OC)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000874041301 590086181 /nfs/dbraw/zinc/08/61/81/590086181.db2.gz RRGRUNWSLGUSSC-SNVBAGLBSA-N 0 3 244.335 0.453 20 0 BCADHN CCCCN(C)CCNC(=O)C(OC)OC ZINC000874462499 590113736 /nfs/dbraw/zinc/11/37/36/590113736.db2.gz QJFWICJVEYRVSO-UHFFFAOYSA-N 0 3 232.324 0.453 20 0 BCADHN C[C@@H](CNC(=O)CN1CCCC1)N(C)C1CC1 ZINC000874325803 590103501 /nfs/dbraw/zinc/10/35/01/590103501.db2.gz DGPKRDCABDUINB-NSHDSACASA-N 0 3 239.363 0.681 20 0 BCADHN CCONC(=O)NC[C@@H]1CCCN1CCOC ZINC000124985222 590107632 /nfs/dbraw/zinc/10/76/32/590107632.db2.gz PHTAUBAAQCBFQA-JTQLQIEISA-N 0 3 245.323 0.348 20 0 BCADHN CN1CCC[C@H](NC(=O)CN2CCCC2)C1 ZINC000874390124 590107803 /nfs/dbraw/zinc/10/78/03/590107803.db2.gz ZSWGKPCQUUBOHZ-NSHDSACASA-N 0 3 225.336 0.293 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)[C@H]1C[C@@H](O)C1 ZINC000874468340 590113808 /nfs/dbraw/zinc/11/38/08/590113808.db2.gz HDMCZVHPSVXATR-OUAUKWLOSA-N 0 3 228.336 0.460 20 0 BCADHN O=C(N[C@H]1CC12CCC2)[C@H]1CN2CCN1CCC2 ZINC000874786129 590135975 /nfs/dbraw/zinc/13/59/75/590135975.db2.gz YJNIGDDHUKJBGP-NEPJUHHUSA-N 0 3 249.358 0.435 20 0 BCADHN Cc1nonc1CNC(=O)Cc1nc[nH]c1C ZINC000874812522 590139817 /nfs/dbraw/zinc/13/98/17/590139817.db2.gz NKOIYGHOARICHQ-UHFFFAOYSA-N 0 3 235.247 0.268 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H](O)C1 ZINC000874823273 590141182 /nfs/dbraw/zinc/14/11/82/590141182.db2.gz OAEQIOGRUZUBDD-USZNOCQGSA-N 0 3 238.331 0.452 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1ccnc1 ZINC000874830019 590141862 /nfs/dbraw/zinc/14/18/62/590141862.db2.gz PSTQZAZHHQRZDI-NWDGAFQWSA-N 0 3 248.330 0.578 20 0 BCADHN Cn1nncc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874829299 590142191 /nfs/dbraw/zinc/14/21/91/590142191.db2.gz LPYWTHMLPUSVRL-UWVGGRQHSA-N 0 3 249.318 0.124 20 0 BCADHN C[C@H](O)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874830163 590142480 /nfs/dbraw/zinc/14/24/80/590142480.db2.gz QIKAWTMWRJZTET-LPEHRKFASA-N 0 3 212.293 0.062 20 0 BCADHN Cn1cncc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874828055 590142523 /nfs/dbraw/zinc/14/25/23/590142523.db2.gz FXGBTJUZZSGTTF-WDEREUQCSA-N 0 3 248.330 0.729 20 0 BCADHN Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)nn1 ZINC000874829820 590142646 /nfs/dbraw/zinc/14/26/46/590142646.db2.gz ODUSWEIIIZLTIQ-QWRGUYRKSA-N 0 3 249.318 0.124 20 0 BCADHN Cc1n[nH]nc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874828391 590142716 /nfs/dbraw/zinc/14/27/16/590142716.db2.gz GRBFFZWIJOPPLK-NXEZZACHSA-N 0 3 249.318 0.422 20 0 BCADHN Cc1nn[nH]c1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874828391 590142717 /nfs/dbraw/zinc/14/27/17/590142717.db2.gz GRBFFZWIJOPPLK-NXEZZACHSA-N 0 3 249.318 0.422 20 0 BCADHN CN(C)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874837708 590143681 /nfs/dbraw/zinc/14/36/81/590143681.db2.gz JDIDRCODEYBRIK-MNOVXSKESA-N 0 3 225.336 0.243 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccon1 ZINC000874837773 590144071 /nfs/dbraw/zinc/14/40/71/590144071.db2.gz LECHUGOPSOKBIL-VXGBXAGGSA-N 0 3 249.314 0.912 20 0 BCADHN CO[C@]1(C)C[C@H](NCCS(C)(=O)=O)C1(C)C ZINC000125194926 590151631 /nfs/dbraw/zinc/15/16/31/590151631.db2.gz DFZCDPXGVYVKFR-GXSJLCMTSA-N 0 3 249.376 0.824 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](C(C)(C)O)C1 ZINC000874876948 590152583 /nfs/dbraw/zinc/15/25/83/590152583.db2.gz NUHYHIYHHHNNGW-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CCON(CC)C(=O)NCCN(C)CCOC ZINC000875216892 590161661 /nfs/dbraw/zinc/16/16/61/590161661.db2.gz XFMXIAUSIQYDSX-UHFFFAOYSA-N 0 3 247.339 0.548 20 0 BCADHN COC[C@@H](NC(=O)C(C)(C)N)C1CC1 ZINC000125391343 590162916 /nfs/dbraw/zinc/16/29/16/590162916.db2.gz BIMINNFRHCMMCQ-MRVPVSSYSA-N 0 3 200.282 0.265 20 0 BCADHN CN1CCC[C@@H](CNC(=O)Nc2ncccn2)C1 ZINC000888680364 590172531 /nfs/dbraw/zinc/17/25/31/590172531.db2.gz IBTXCALUISAKQY-JTQLQIEISA-N 0 3 249.318 0.940 20 0 BCADHN CON(C)C(=O)c1cccc2c1CCNC2 ZINC000125656080 590176671 /nfs/dbraw/zinc/17/66/71/590176671.db2.gz DTLGTIYMMBUKMO-UHFFFAOYSA-N 0 3 220.272 0.966 20 0 BCADHN CS[C@H]1C[C@H](NC(=O)NCCN(C)C)C1 ZINC000876061013 590185615 /nfs/dbraw/zinc/18/56/15/590185615.db2.gz FGJVUBBFDJSZHF-KYZUINATSA-N 0 3 231.365 0.741 20 0 BCADHN CNC(=S)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000125999882 590201643 /nfs/dbraw/zinc/20/16/43/590201643.db2.gz ZLXQTUYLHQFFAX-HTQZYQBOSA-N 0 3 201.339 0.563 20 0 BCADHN COC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000876502056 590203139 /nfs/dbraw/zinc/20/31/39/590203139.db2.gz YTUZNXZXTWYXCT-VIFPVBQESA-N 0 3 239.279 0.140 20 0 BCADHN CNC(=S)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000126000606 590203633 /nfs/dbraw/zinc/20/36/33/590203633.db2.gz ZLXQTUYLHQFFAX-YUMQZZPRSA-N 0 3 201.339 0.563 20 0 BCADHN N[C@@H](CNC(=O)[C@H]1CCC(=O)O1)c1ccccc1 ZINC000876524381 590208055 /nfs/dbraw/zinc/20/80/55/590208055.db2.gz PHSUAPXSKHVVAQ-WDEREUQCSA-N 0 3 248.282 0.508 20 0 BCADHN C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](N)CN(C)C ZINC000876546456 590213616 /nfs/dbraw/zinc/21/36/16/590213616.db2.gz XARUEHHMYAVYCA-DCAQKATOSA-N 0 3 227.352 0.665 20 0 BCADHN CCCCN(CCOC)C(=O)[C@@H](N)CN(C)C ZINC000876655511 590226470 /nfs/dbraw/zinc/22/64/70/590226470.db2.gz MKNZUBAMDGVWKV-NSHDSACASA-N 0 3 245.367 0.150 20 0 BCADHN C[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CN(C)C)[C@@H](C)C1 ZINC000876661530 590227368 /nfs/dbraw/zinc/22/73/68/590227368.db2.gz GRXCKZOWFPFOFN-NOOOWODRSA-N 0 3 241.379 0.816 20 0 BCADHN CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000876667724 590227722 /nfs/dbraw/zinc/22/77/22/590227722.db2.gz LMQJCUWQPPLIIU-MXWKQRLJSA-N 0 3 229.368 0.816 20 0 BCADHN CC[C@H]1CCC[C@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000876671288 590228587 /nfs/dbraw/zinc/22/85/87/590228587.db2.gz LUHKUUVPBLKQEQ-SRVKXCTJSA-N 0 3 241.379 0.960 20 0 BCADHN CS[C@H]1CC[C@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000876690266 590231201 /nfs/dbraw/zinc/23/12/01/590231201.db2.gz SXIIORQNWDMIIO-GUBZILKMSA-N 0 3 245.392 0.276 20 0 BCADHN CS[C@H]1CC[C@@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000876690267 590231420 /nfs/dbraw/zinc/23/14/20/590231420.db2.gz SXIIORQNWDMIIO-UTLUCORTSA-N 0 3 245.392 0.276 20 0 BCADHN CC[C@@H](C(=O)N1CCNC[C@@H]1C(F)F)N(C)C ZINC000876851212 590249628 /nfs/dbraw/zinc/24/96/28/590249628.db2.gz FDTNJWCSNIVKTD-DTWKUNHWSA-N 0 3 249.305 0.392 20 0 BCADHN O=C(Nc1ccc2c(c1)CNC2)[C@H]1CCC(=O)O1 ZINC000876867479 590251729 /nfs/dbraw/zinc/25/17/29/590251729.db2.gz WOSMBQNVKHTMBC-LLVKDONJSA-N 0 3 246.266 0.934 20 0 BCADHN CCNCC(=O)N1CCC(CC)(CO)CC1 ZINC000876987306 590265011 /nfs/dbraw/zinc/26/50/11/590265011.db2.gz WXSCZVDLTJTZSS-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN CCn1ncc(CNC(=O)[C@H](N)C2CCC2)n1 ZINC000876990540 590266517 /nfs/dbraw/zinc/26/65/17/590266517.db2.gz HGFORBJLDKYVHF-SNVBAGLBSA-N 0 3 237.307 0.042 20 0 BCADHN COC(=O)C1=CC[C@H](NC(=O)[C@@H](N)C(C)C)C1 ZINC000876999877 590267314 /nfs/dbraw/zinc/26/73/14/590267314.db2.gz IADBUHZBBFWLDZ-UWVGGRQHSA-N 0 3 240.303 0.348 20 0 BCADHN O=C(NCC1CC=CC1)[C@@]1(F)CCNC1 ZINC000876999529 590267506 /nfs/dbraw/zinc/26/75/06/590267506.db2.gz FJOQRMKDHKPGRS-LLVKDONJSA-N 0 3 212.268 0.770 20 0 BCADHN CCS(=O)(=O)CCNCCC[C@@H]1CCO1 ZINC000877005783 590268520 /nfs/dbraw/zinc/26/85/20/590268520.db2.gz MMOIWMOOGWWRRZ-SNVBAGLBSA-N 0 3 235.349 0.580 20 0 BCADHN CCCN(CC(C)C)C(=O)C1=NO[C@@H](CN)C1 ZINC000877031287 590271580 /nfs/dbraw/zinc/27/15/80/590271580.db2.gz PDVNWUPFEFYACJ-SNVBAGLBSA-N 0 3 241.335 0.985 20 0 BCADHN CSC(C)(C)CNCc1cnc(N)nc1N ZINC000877065454 590276840 /nfs/dbraw/zinc/27/68/40/590276840.db2.gz NOKLKMQNYIIWPI-UHFFFAOYSA-N 0 3 241.364 0.872 20 0 BCADHN O=C(NC1(C(F)F)CC1)[C@@]1(F)CCNC1 ZINC000877079598 590279425 /nfs/dbraw/zinc/27/94/25/590279425.db2.gz GWODSGHCRQLESZ-MRVPVSSYSA-N 0 3 222.210 0.602 20 0 BCADHN Cc1cc(O)cc(NC(=O)C2=NO[C@@H](CN)C2)c1 ZINC000877088855 590281079 /nfs/dbraw/zinc/28/10/79/590281079.db2.gz KMEHGZVREDFVQP-SNVBAGLBSA-N 0 3 249.270 0.743 20 0 BCADHN COC(=O)N1CC(NC[C@@](C)(OC)C2CC2)C1 ZINC000877098932 590282395 /nfs/dbraw/zinc/28/23/95/590282395.db2.gz YJHOFBAEANZKAR-GFCCVEGCSA-N 0 3 242.319 0.842 20 0 BCADHN C[C@@H]([NH3+])CN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000877107423 590286028 /nfs/dbraw/zinc/28/60/28/590286028.db2.gz FHADRONIJHSSFN-ZCFIWIBFSA-N 0 3 227.239 0.346 20 0 BCADHN O=C1C[C@@H](NCc2cccc(F)n2)CCCN1 ZINC000877115310 590288004 /nfs/dbraw/zinc/28/80/04/590288004.db2.gz MACMPEAIKOOIEV-VIFPVBQESA-N 0 3 237.278 0.979 20 0 BCADHN CC1(CN[C@H]2CCCNC(=O)C2)OCCO1 ZINC000877118025 590288687 /nfs/dbraw/zinc/28/86/87/590288687.db2.gz JHHAUZKLDVGKHW-VIFPVBQESA-N 0 3 228.292 0.008 20 0 BCADHN O=C(NCC[C@@H]1CCSC1)[C@]1(F)CCNC1 ZINC000877123575 590289281 /nfs/dbraw/zinc/28/92/81/590289281.db2.gz ZWWRXUIKZSPXAB-KOLCDFICSA-N 0 3 246.351 0.947 20 0 BCADHN COC[C@H](O)CCNCc1ccc(Cl)nn1 ZINC000877124815 590289704 /nfs/dbraw/zinc/28/97/04/590289704.db2.gz DWQJMBFRDGFCTO-SECBINFHSA-N 0 3 245.710 0.617 20 0 BCADHN COc1cncc(NC(=O)C2(N)CC2)c1 ZINC000877131478 590290413 /nfs/dbraw/zinc/29/04/13/590290413.db2.gz BHAPIUMPPTYVNN-UHFFFAOYSA-N 0 3 207.233 0.520 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@@H](C)c1nccc(N)n1 ZINC000877145138 590292392 /nfs/dbraw/zinc/29/23/92/590292392.db2.gz DMGQDMHJKSSKET-JGVFFNPUSA-N 0 3 249.318 0.377 20 0 BCADHN C[C@@H]1CCCN1CCNCc1ncnn1C ZINC000877154525 590293272 /nfs/dbraw/zinc/29/32/72/590293272.db2.gz RSMDJKOOOFUXHJ-SNVBAGLBSA-N 0 3 223.324 0.389 20 0 BCADHN CCn1ncnc1CNCCN1CCC[C@H]1C ZINC000877154427 590293512 /nfs/dbraw/zinc/29/35/12/590293512.db2.gz PZXXFTGZGRINHC-LLVKDONJSA-N 0 3 237.351 0.872 20 0 BCADHN C[C@H]1CCCN1CCNCc1ncnn1C ZINC000877154524 590293550 /nfs/dbraw/zinc/29/35/50/590293550.db2.gz RSMDJKOOOFUXHJ-JTQLQIEISA-N 0 3 223.324 0.389 20 0 BCADHN COCCNCC(=O)N[C@@H]1CCCC[C@@H]1F ZINC000877179120 590297504 /nfs/dbraw/zinc/29/75/04/590297504.db2.gz LCTPANGTASSBFG-VHSXEESVSA-N 0 3 232.299 0.619 20 0 BCADHN N[C@H](C(=O)NCc1ccnc(F)c1)C1CCC1 ZINC000877201110 590300771 /nfs/dbraw/zinc/30/07/71/590300771.db2.gz DAOUEALZPUSKDG-NSHDSACASA-N 0 3 237.278 0.964 20 0 BCADHN CC1(F)CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000877203809 590301216 /nfs/dbraw/zinc/30/12/16/590301216.db2.gz RFUWAUCBACJTOM-QMMMGPOBSA-N 0 3 243.282 0.441 20 0 BCADHN O=C(N[C@@H]1C[C@H]1C(F)(F)F)[C@@]1(F)CCNC1 ZINC000877220291 590301277 /nfs/dbraw/zinc/30/12/77/590301277.db2.gz FXGFHLHIAGQQBK-ATRFCDNQSA-N 0 3 240.200 0.755 20 0 BCADHN CC1(C)C[C@H](O)CN(C(=O)[C@@H]2CCCCN2)C1 ZINC000877249608 590303831 /nfs/dbraw/zinc/30/38/31/590303831.db2.gz ALERYCWVLDZEMB-QWRGUYRKSA-N 0 3 240.347 0.748 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)c1ccnn1C ZINC000877264048 590304588 /nfs/dbraw/zinc/30/45/88/590304588.db2.gz JUJQRMFBWDQGEK-RKDXNWHRSA-N 0 3 224.308 0.595 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)c1ccnn1C ZINC000877264046 590304592 /nfs/dbraw/zinc/30/45/92/590304592.db2.gz JUJQRMFBWDQGEK-DTWKUNHWSA-N 0 3 224.308 0.595 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877299306 590308402 /nfs/dbraw/zinc/30/84/02/590308402.db2.gz KLNMHTKBNDYEJD-RNFRBKRXSA-N 0 3 222.235 0.216 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCO[C@H](C(F)F)C1 ZINC000877298401 590308488 /nfs/dbraw/zinc/30/84/88/590308488.db2.gz DNXXGJSMPMBBAP-JGVFFNPUSA-N 0 3 248.273 0.477 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877301572 590309841 /nfs/dbraw/zinc/30/98/41/590309841.db2.gz XWSKVBKODLSFFB-SFYZADRCSA-N 0 3 236.262 0.462 20 0 BCADHN CC(=O)C1CCN(C(=O)[C@@H](C)NC2CC2)CC1 ZINC000877302311 590310104 /nfs/dbraw/zinc/31/01/04/590310104.db2.gz ZNFWBCIFFRVSNF-SECBINFHSA-N 0 3 238.331 0.955 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCO[C@H](C(F)F)C1 ZINC000877301573 590310151 /nfs/dbraw/zinc/31/01/51/590310151.db2.gz XWSKVBKODLSFFB-YUMQZZPRSA-N 0 3 236.262 0.462 20 0 BCADHN COCC(C)(C)CCNC(=O)[C@@]1(F)CCNC1 ZINC000877305463 590310523 /nfs/dbraw/zinc/31/05/23/590310523.db2.gz QEWWLXFVKIJVDG-GFCCVEGCSA-N 0 3 246.326 0.867 20 0 BCADHN CC1(C)CO[C@@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000877306791 590310720 /nfs/dbraw/zinc/31/07/20/590310720.db2.gz DLGGMIGWGQIGRF-BXKDBHETSA-N 0 3 244.310 0.619 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCCC[C@@H]1C=CCC1 ZINC000877308377 590311800 /nfs/dbraw/zinc/31/18/00/590311800.db2.gz ULEIABQQFWUMGN-UTUOFQBUSA-N 0 3 238.331 0.965 20 0 BCADHN CC[C@H](C)[C@@H](CN[C@]1(CO)CCOC1)OC ZINC000877336152 590317751 /nfs/dbraw/zinc/31/77/51/590317751.db2.gz OYZBPKIYPJKHCH-TUAOUCFPSA-N 0 3 231.336 0.789 20 0 BCADHN CCn1ncc(NC(=O)C(C)(C)N)c1C ZINC000877452062 590328854 /nfs/dbraw/zinc/32/88/54/590328854.db2.gz SBTYQBSLLBIDKA-UHFFFAOYSA-N 0 3 210.281 0.887 20 0 BCADHN CC[C@H](NC(=O)[C@]1(F)CCNC1)C(F)F ZINC000877456143 590330397 /nfs/dbraw/zinc/33/03/97/590330397.db2.gz PUABBCWVCUFUJE-RCOVLWMOSA-N 0 3 224.226 0.848 20 0 BCADHN Nc1ncc(CNC[C@H]2CCC=CO2)c(N)n1 ZINC000877459152 590330533 /nfs/dbraw/zinc/33/05/33/590330533.db2.gz GTONXHVZNPEZAB-SECBINFHSA-N 0 3 235.291 0.423 20 0 BCADHN CC[C@@H](NC(=O)[C@]1(F)CCNC1)C(F)F ZINC000877456142 590330892 /nfs/dbraw/zinc/33/08/92/590330892.db2.gz PUABBCWVCUFUJE-MUWHJKNJSA-N 0 3 224.226 0.848 20 0 BCADHN CCON(C)C(=O)CN[C@@H](C)[C@H](C)OC ZINC000877611836 590372332 /nfs/dbraw/zinc/37/23/32/590372332.db2.gz BUJMEVAOVLWUEO-IUCAKERBSA-N 0 3 218.297 0.409 20 0 BCADHN CCOC(=O)c1ccc(CN[C@@H]2CC[C@H]2O)[nH]1 ZINC000877597397 590371306 /nfs/dbraw/zinc/37/13/06/590371306.db2.gz KGPBRHHANKGMIN-MWLCHTKSSA-N 0 3 238.287 0.804 20 0 BCADHN CCN(OC)C(=O)CNCCC[C@@H]1CCO1 ZINC000877606727 590371947 /nfs/dbraw/zinc/37/19/47/590371947.db2.gz JGJDITJJVCSIGJ-SNVBAGLBSA-N 0 3 230.308 0.555 20 0 BCADHN CCN(OC)C(=O)CNC[C@](C)(OC)C1CC1 ZINC000877606608 590372120 /nfs/dbraw/zinc/37/21/20/590372120.db2.gz GMQILERLPUENML-LBPRGKRZSA-N 0 3 244.335 0.801 20 0 BCADHN CCON(C)C(=O)CNCCC[C@@H]1CCO1 ZINC000877612845 590372420 /nfs/dbraw/zinc/37/24/20/590372420.db2.gz XREQSRWNKZYXPN-SNVBAGLBSA-N 0 3 230.308 0.555 20 0 BCADHN CCON(C)C(=O)CN[C@@H](C)[C@H]1CCCCO1 ZINC000877611990 590372435 /nfs/dbraw/zinc/37/24/35/590372435.db2.gz JEOKPCXRKARKRR-WDEREUQCSA-N 0 3 244.335 0.944 20 0 BCADHN CCON(C)C(=O)CNCCC1CCOCC1 ZINC000877612809 590373007 /nfs/dbraw/zinc/37/30/07/590373007.db2.gz WQWXLJYMNRMHOV-UHFFFAOYSA-N 0 3 244.335 0.803 20 0 BCADHN O[C@H]1C[C@@H](CNCc2ccc(Cl)nn2)C1 ZINC000877657420 590385812 /nfs/dbraw/zinc/38/58/12/590385812.db2.gz JYLFJDNVFJQLEJ-OTSSQURYSA-N 0 3 227.695 0.991 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)CC[C@@H]1CCOC1=O ZINC000126649872 590391917 /nfs/dbraw/zinc/39/19/17/590391917.db2.gz SSSABGUMLOWVFM-XIZWVBILSA-N 0 3 247.360 0.638 20 0 BCADHN O=C1C[C@H](NCc2ccnc(F)c2)CCCN1 ZINC000877697438 590393698 /nfs/dbraw/zinc/39/36/98/590393698.db2.gz MLFXBUVLYFJIHO-SNVBAGLBSA-N 0 3 237.278 0.979 20 0 BCADHN COC(=O)C1CC(NC2CSC2)C1 ZINC000877722497 590401788 /nfs/dbraw/zinc/40/17/88/590401788.db2.gz WVWIPIGLTHLYBQ-UHFFFAOYSA-N 0 3 201.291 0.643 20 0 BCADHN Cn1nncc1CN1CC[C@@H]2CSC[C@H]2C1 ZINC000877738873 590406971 /nfs/dbraw/zinc/40/69/71/590406971.db2.gz MQHNPXVWRSFNLE-NXEZZACHSA-N 0 3 238.360 1.000 20 0 BCADHN CC(C)[C@H]1CN(Cc2cnn(C)n2)CCN1C ZINC000877751046 590414182 /nfs/dbraw/zinc/41/41/82/590414182.db2.gz SQDUATSXSKFXRL-GFCCVEGCSA-N 0 3 237.351 0.587 20 0 BCADHN CCC[C@H](CN1CC[C@@H](O)[C@@H](O)C1)OC ZINC000877750482 590414306 /nfs/dbraw/zinc/41/43/06/590414306.db2.gz QKYVFDBIDMHJSD-MXWKQRLJSA-N 0 3 217.309 0.229 20 0 BCADHN CC[C@H](C)[C@@H](CN1CC[C@@H](O)[C@@H](O)C1)OC ZINC000877750672 590414353 /nfs/dbraw/zinc/41/43/53/590414353.db2.gz UVGURKUZEKSPMD-WHOHXGKFSA-N 0 3 231.336 0.475 20 0 BCADHN OCc1ccc(CN2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000877750862 590414780 /nfs/dbraw/zinc/41/47/80/590414780.db2.gz YVPXNZPCCAKEAT-OLZOCXBDSA-N 0 3 237.299 0.106 20 0 BCADHN C[C@H](N[C@@H]1CCCNC(=O)C1)c1ccnn1C ZINC000877761758 590419225 /nfs/dbraw/zinc/41/92/25/590419225.db2.gz OHMQJHWSVFSFAZ-VHSXEESVSA-N 0 3 236.319 0.739 20 0 BCADHN OCC1(CO)CCN(C[C@H]2CCC=CO2)CC1 ZINC000877798304 590424860 /nfs/dbraw/zinc/42/48/60/590424860.db2.gz MHOSTRVBANCBBZ-GFCCVEGCSA-N 0 3 241.331 0.746 20 0 BCADHN CO[C@@H](C)CN1CCC(CO)(CO)CC1 ZINC000877797787 590425343 /nfs/dbraw/zinc/42/53/43/590425343.db2.gz BKXDSHZLGNTCDJ-JTQLQIEISA-N 0 3 217.309 0.088 20 0 BCADHN CNC(=O)CN(C)C[C@H]1C[C@@H](OC)C1 ZINC000877958415 590457842 /nfs/dbraw/zinc/45/78/42/590457842.db2.gz ULTKPTFTJMZMQX-DTORHVGOSA-N 0 3 200.282 0.089 20 0 BCADHN CC(C)[C@H](O)CCN(CCO)C1CC1 ZINC000877961793 590459344 /nfs/dbraw/zinc/45/93/44/590459344.db2.gz SPDLBTSDMKJQTK-LLVKDONJSA-N 0 3 201.310 0.850 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1CCCC[C@H]1CO ZINC000877963892 590460654 /nfs/dbraw/zinc/46/06/54/590460654.db2.gz SAZVGTMJQQNAGT-WDEREUQCSA-N 0 3 231.336 0.355 20 0 BCADHN c1cc([C@H]2CCCN(CCn3cnnn3)C2)n[nH]1 ZINC000877975691 590464137 /nfs/dbraw/zinc/46/41/37/590464137.db2.gz CVGJTOAKQPIXQL-JTQLQIEISA-N 0 3 247.306 0.276 20 0 BCADHN COCCN(C)C[C@@H](O)CC1(O)CCCC1 ZINC000877987073 590465544 /nfs/dbraw/zinc/46/55/44/590465544.db2.gz ZFRZLCXOXURVRT-NSHDSACASA-N 0 3 231.336 0.621 20 0 BCADHN CCN(CC(=O)NC)C[C@@H]1CCO[C@H]1C ZINC000877987090 590466472 /nfs/dbraw/zinc/46/64/72/590466472.db2.gz ZOQZZGXTOXPURQ-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CC[C@@H](O)C(C)C ZINC000877992102 590467522 /nfs/dbraw/zinc/46/75/22/590467522.db2.gz WWBNTSTYUZMALB-WDEREUQCSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)[C@H](O)CCN(C)CCN1CCOCC1 ZINC000878046777 590480205 /nfs/dbraw/zinc/48/02/05/590480205.db2.gz ASJUQASNMXRMDA-CYBMUJFWSA-N 0 3 244.379 0.657 20 0 BCADHN CC(C)[C@H](O)CCN1CCN(C[C@H](C)O)CC1 ZINC000878049648 590482832 /nfs/dbraw/zinc/48/28/32/590482832.db2.gz ZLIHVHLIGXCYEI-QWHCGFSZSA-N 0 3 244.379 0.392 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC(C)(C)O)CCS1 ZINC000878054945 590483350 /nfs/dbraw/zinc/48/33/50/590483350.db2.gz KAVGVWBIGIJGMX-NXEZZACHSA-N 0 3 233.377 0.946 20 0 BCADHN OCC1(C[C@@H](O)CN2CC[C@H](O)C2)CCCC1 ZINC000878053653 590483687 /nfs/dbraw/zinc/48/36/87/590483687.db2.gz KKQHYCIBBLGBGG-NWDGAFQWSA-N 0 3 243.347 0.357 20 0 BCADHN CN(C[C@@H](O)CC1(O)CCCC1)[C@@H]1CCOC1 ZINC000878083947 590488663 /nfs/dbraw/zinc/48/86/63/590488663.db2.gz KJYBJRDZSZAYQQ-NEPJUHHUSA-N 0 3 243.347 0.763 20 0 BCADHN OCCCN(CCO)C[C@@H]1CC2(CCC2)CO1 ZINC000878094297 590488955 /nfs/dbraw/zinc/48/89/55/590488955.db2.gz IKCHFZAJLCLOGU-LBPRGKRZSA-N 0 3 243.347 0.622 20 0 BCADHN Cn1nnnc1CCN(CCO)CC(C)(C)C ZINC000878084651 590490120 /nfs/dbraw/zinc/49/01/20/590490120.db2.gz XDJDDXIRBPDPDM-UHFFFAOYSA-N 0 3 241.339 0.093 20 0 BCADHN CN(CCc1ccccc1F)CCn1cnnn1 ZINC000878092844 590490556 /nfs/dbraw/zinc/49/05/56/590490556.db2.gz ZNGQOSNSPYWUQD-UHFFFAOYSA-N 0 3 249.293 0.987 20 0 BCADHN C[C@H](O)C1CCN(C[C@@H](O)CC(C)(C)O)CC1 ZINC000878097245 590493060 /nfs/dbraw/zinc/49/30/60/590493060.db2.gz XEPCEXBMKNVKOG-JQWIXIFHSA-N 0 3 245.363 0.601 20 0 BCADHN CC(C)[C@@H](O)CCN(C)CCN1CCCC1=O ZINC000878102044 590493645 /nfs/dbraw/zinc/49/36/45/590493645.db2.gz NODFOCXHCVUZID-LBPRGKRZSA-N 0 3 242.363 0.948 20 0 BCADHN C=C/C=C\CCN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000878112877 590497376 /nfs/dbraw/zinc/49/73/76/590497376.db2.gz XFCAHNOXJBUPQT-DOGVGXBMSA-N 0 3 244.360 0.742 20 0 BCADHN CC(C)(O)C[C@@H](O)CN(CCCO)C1CC1 ZINC000878113842 590497920 /nfs/dbraw/zinc/49/79/20/590497920.db2.gz OWVVYOXFFPVOTO-LLVKDONJSA-N 0 3 231.336 0.355 20 0 BCADHN C[C@@H](O)CCN(C)C[C@H](O)CC1(O)CCCC1 ZINC000878133181 590503867 /nfs/dbraw/zinc/50/38/67/590503867.db2.gz HPNXGSJHGDPWCP-VXGBXAGGSA-N 0 3 245.363 0.745 20 0 BCADHN COC(=O)[C@]1(F)CCN(C[C@@H]2CCO[C@H]2C)C1 ZINC000878155515 590509323 /nfs/dbraw/zinc/50/93/23/590509323.db2.gz HUFXURVGFRTTLG-NHCYSSNCSA-N 0 3 245.294 0.998 20 0 BCADHN CCOC[C@H]1CCN(CCc2nnnn2C)C1 ZINC000878163436 590511112 /nfs/dbraw/zinc/51/11/12/590511112.db2.gz XUAXQVHKTYPLSF-JTQLQIEISA-N 0 3 239.323 0.111 20 0 BCADHN CCOC[C@H]1CCN(CCn2cnnn2)C1 ZINC000878162806 590511289 /nfs/dbraw/zinc/51/12/89/590511289.db2.gz PXYIVQCDVVAQPG-JTQLQIEISA-N 0 3 225.296 0.032 20 0 BCADHN CC1(C)CN(CCn2cnnn2)CCS1 ZINC000878177299 590516319 /nfs/dbraw/zinc/51/63/19/590516319.db2.gz VHYFNCXDBYDPSH-UHFFFAOYSA-N 0 3 227.337 0.501 20 0 BCADHN CN(CCOCC1CC1)C[C@@H](O)CC(C)(C)O ZINC000878184784 590518607 /nfs/dbraw/zinc/51/86/07/590518607.db2.gz ARZJWMRHQAUHSM-LBPRGKRZSA-N 0 3 245.363 0.867 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCN2C(=O)OC[C@@H]2C1 ZINC000878195531 590522214 /nfs/dbraw/zinc/52/22/14/590522214.db2.gz RZUVLOHJGYHNCF-DCAQKATOSA-N 0 3 240.303 0.548 20 0 BCADHN CC(C)[C@@H](O)CCN(CC(N)=O)C(C)(C)C ZINC000878202249 590523990 /nfs/dbraw/zinc/52/39/90/590523990.db2.gz PIWADKZLUDZWNG-JTQLQIEISA-N 0 3 230.352 0.979 20 0 BCADHN COC(CN1CC[C@H](O)[C@@H](C)C1)OC ZINC000127009034 590533563 /nfs/dbraw/zinc/53/35/63/590533563.db2.gz AVDXEONWNFMGRG-IUCAKERBSA-N 0 3 203.282 0.308 20 0 BCADHN CNS(=O)(=O)[C@H]1CCN(CCCC2CC2)C1 ZINC000878290115 590535598 /nfs/dbraw/zinc/53/55/98/590535598.db2.gz MAYDPGZPOIIOCA-NSHDSACASA-N 0 3 246.376 0.800 20 0 BCADHN CN(CCn1cnnn1)[C@@H]1CCSC1 ZINC000878304996 590538213 /nfs/dbraw/zinc/53/82/13/590538213.db2.gz UCXKBQCOYWQSQS-MRVPVSSYSA-N 0 3 213.310 0.110 20 0 BCADHN C=C/C=C/CC[NH+]1CCC2(CC1)NC(=O)[N-]C2=O ZINC000878309329 590540304 /nfs/dbraw/zinc/54/03/04/590540304.db2.gz LKCBRXCMAVPVQK-ONEGZZNKSA-N 0 3 249.314 0.793 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@H](C)N(C)C[C@@H]1C ZINC000878336468 590549268 /nfs/dbraw/zinc/54/92/68/590549268.db2.gz YGTNPAMGETXMOY-AVGNSLFASA-N 0 3 244.379 0.797 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC(C)(C)O)[C@H](C)CN1C ZINC000878336498 590549548 /nfs/dbraw/zinc/54/95/48/590549548.db2.gz ZBOZBWKKWMNFKJ-IJLUTSLNSA-N 0 3 244.379 0.533 20 0 BCADHN C=C/C=C\CCN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000878343493 590552756 /nfs/dbraw/zinc/55/27/56/590552756.db2.gz YLPRXIZVBJCMPS-DLRQAJBASA-N 0 3 244.360 0.872 20 0 BCADHN C=C/C=C/CCN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000878343495 590553044 /nfs/dbraw/zinc/55/30/44/590553044.db2.gz YLPRXIZVBJCMPS-PGLGOXFNSA-N 0 3 244.360 0.872 20 0 BCADHN C=C/C=C\CCN1CCC[C@H](S(N)(=O)=O)C1 ZINC000878343492 590553132 /nfs/dbraw/zinc/55/31/32/590553132.db2.gz YLPRXIZVBJCMPS-BYCRGOAPSA-N 0 3 244.360 0.872 20 0 BCADHN c1nnnn1CCNC1(c2ccccc2)CC1 ZINC000878360239 590553615 /nfs/dbraw/zinc/55/36/15/590553615.db2.gz ZTZXONDHALTYIH-UHFFFAOYSA-N 0 3 229.287 0.952 20 0 BCADHN C[C@H]1CCOCCN1C[C@H](O)CC(C)(C)O ZINC000878374879 590555130 /nfs/dbraw/zinc/55/51/30/590555130.db2.gz YEBQWPSFFRUFGD-WDEREUQCSA-N 0 3 231.336 0.619 20 0 BCADHN CC1(C)CC[C@H](CNC2(C(N)=O)CC2)OC1 ZINC000878385369 590557976 /nfs/dbraw/zinc/55/79/76/590557976.db2.gz PBTQVEVCFBDQJQ-SECBINFHSA-N 0 3 226.320 0.799 20 0 BCADHN CC1(C)CCC[C@@H](CNC2(C(N)=O)CC2)O1 ZINC000878384931 590558250 /nfs/dbraw/zinc/55/82/50/590558250.db2.gz JRESCZVBBIBQQU-VIFPVBQESA-N 0 3 226.320 0.942 20 0 BCADHN CC(C)(O)C[C@H](O)CN1CCOCC2(CC2)C1 ZINC000878401346 590560510 /nfs/dbraw/zinc/56/05/10/590560510.db2.gz RXWMUFAFLTZZCR-NSHDSACASA-N 0 3 243.347 0.621 20 0 BCADHN Cn1cc(C(C)(C)NCCc2nnnn2C)cn1 ZINC000878424390 590564902 /nfs/dbraw/zinc/56/49/02/590564902.db2.gz YVTAJRZRZOBSOX-UHFFFAOYSA-N 0 3 249.322 0.011 20 0 BCADHN Cc1ccc(C(C)(C)NCCn2cnnn2)cn1 ZINC000878431586 590566141 /nfs/dbraw/zinc/56/61/41/590566141.db2.gz PFQLDFMCQGCNGZ-UHFFFAOYSA-N 0 3 246.318 0.901 20 0 BCADHN CN(CCN(C)C1CC1)C[C@@H](O)CC(C)(C)O ZINC000878442900 590568202 /nfs/dbraw/zinc/56/82/02/590568202.db2.gz CSHDTMLNIRFKMR-LBPRGKRZSA-N 0 3 244.379 0.534 20 0 BCADHN CO[C@H]1C[C@@H](CN2CC[C@@H](C)C[C@H]2C(N)=O)C1 ZINC000878466740 590572536 /nfs/dbraw/zinc/57/25/36/590572536.db2.gz OOMWWSNFLQESTA-WYUUTHIRSA-N 0 3 240.347 0.997 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1CC[C@H](O)C(C)(C)C1 ZINC000878482059 590576237 /nfs/dbraw/zinc/57/62/37/590576237.db2.gz JGCVMBSIXADCPH-MNOVXSKESA-N 0 3 245.363 0.601 20 0 BCADHN CO[C@@H]1CN(C[C@H](O)CC(C)(C)O)CC[C@@H]1C ZINC000878482919 590577610 /nfs/dbraw/zinc/57/76/10/590577610.db2.gz BINHXNCZEOUTIT-QJPTWQEYSA-N 0 3 245.363 0.865 20 0 BCADHN CC(C)[C@H](O)CCN1CC[C@H](CO)[C@@H](O)C1 ZINC000878500720 590580557 /nfs/dbraw/zinc/58/05/57/590580557.db2.gz IRDVVOARELVVGX-UTUOFQBUSA-N 0 3 231.336 0.069 20 0 BCADHN C[C@H]1CCN(CCc2nnnn2C)CCS1 ZINC000878510521 590584205 /nfs/dbraw/zinc/58/42/05/590584205.db2.gz OMNNQSDAVWEULK-VIFPVBQESA-N 0 3 241.364 0.580 20 0 BCADHN C[C@@H](CO)N(C)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000878568330 590592843 /nfs/dbraw/zinc/59/28/43/590592843.db2.gz YNNWDZQQQLTDGJ-WCQGTBRESA-N 0 3 231.336 0.211 20 0 BCADHN CO[C@@H](C)CN(C)C[C@H](O)CC(C)(C)O ZINC000878613822 590596403 /nfs/dbraw/zinc/59/64/03/590596403.db2.gz XLZOSUQTPUWDDO-VHSXEESVSA-N 0 3 219.325 0.475 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@H](O)CC(C)(C)O ZINC000878655990 590603190 /nfs/dbraw/zinc/60/31/90/590603190.db2.gz DYVFLEHRPWTASF-VXGBXAGGSA-N 0 3 244.379 0.534 20 0 BCADHN COC[C@@]1(C)CCN(CCc2nnnn2C)C1 ZINC000878662259 590605523 /nfs/dbraw/zinc/60/55/23/590605523.db2.gz AFRSXNLKLOXXQN-NSHDSACASA-N 0 3 239.323 0.111 20 0 BCADHN CS[C@@H]1CCN(CCn2cnnn2)C1 ZINC000878665433 590606179 /nfs/dbraw/zinc/60/61/79/590606179.db2.gz ILVIUAIISAOBGX-MRVPVSSYSA-N 0 3 213.310 0.110 20 0 BCADHN CON1CCN(C[C@H]2CCO[C@H]2C)CC1 ZINC000878686164 590607913 /nfs/dbraw/zinc/60/79/13/590607913.db2.gz ULLAKOWBFKODGU-WDEREUQCSA-N 0 3 214.309 0.590 20 0 BCADHN CO[C@H]1CCN(CCn2cnnn2)CC1(C)C ZINC000878676230 590608017 /nfs/dbraw/zinc/60/80/17/590608017.db2.gz XEMGEKSDBDZZKA-JTQLQIEISA-N 0 3 239.323 0.420 20 0 BCADHN CO[C@@H]1CCN(CCc2nnnn2C)C[C@H]1C ZINC000878679334 590608322 /nfs/dbraw/zinc/60/83/22/590608322.db2.gz ZSFSLLIEUKNRNU-NXEZZACHSA-N 0 3 239.323 0.109 20 0 BCADHN CO[C@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000878679056 590608444 /nfs/dbraw/zinc/60/84/44/590608444.db2.gz RDEBLOUOWSUMEP-UWVGGRQHSA-N 0 3 225.296 0.030 20 0 BCADHN CC(C)[C@@H](O)CCN1CCC[C@@H]1C(N)=O ZINC000878679940 590608910 /nfs/dbraw/zinc/60/89/10/590608910.db2.gz FAQDFCKZDRHWEZ-ZJUUUORDSA-N 0 3 214.309 0.343 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCC[C@H](O)C(C)C ZINC000878689002 590609900 /nfs/dbraw/zinc/60/99/00/590609900.db2.gz XUZRDOPWIZIGTB-GRYCIOLGSA-N 0 3 231.336 0.787 20 0 BCADHN COC[C@@H]1CCCCN1CCc1nnnn1C ZINC000878691530 590610604 /nfs/dbraw/zinc/61/06/04/590610604.db2.gz DOMNGGICEJQNCM-JTQLQIEISA-N 0 3 239.323 0.254 20 0 BCADHN CON1CCC(N(C)Cc2c[nH]cn2)CC1 ZINC000878698211 590611300 /nfs/dbraw/zinc/61/13/00/590611300.db2.gz WBNLFALQRYAFPO-UHFFFAOYSA-N 0 3 224.308 0.867 20 0 BCADHN CON1CCC(N(C)Cc2cnc[nH]2)CC1 ZINC000878698211 590611301 /nfs/dbraw/zinc/61/13/01/590611301.db2.gz WBNLFALQRYAFPO-UHFFFAOYSA-N 0 3 224.308 0.867 20 0 BCADHN OC1([C@H]2CCCCN2CCn2cnnn2)CC1 ZINC000878699384 590612130 /nfs/dbraw/zinc/61/21/30/590612130.db2.gz QTSKKCVHRBWIGU-SNVBAGLBSA-N 0 3 237.307 0.053 20 0 BCADHN CCOC[C@@H]1CCCCN1CCn1cnnn1 ZINC000878704217 590612510 /nfs/dbraw/zinc/61/25/10/590612510.db2.gz XZKSDGGZFHEENR-NSHDSACASA-N 0 3 239.323 0.564 20 0 BCADHN CC(C)OC(=O)CCN1CC[C@@H](O)[C@@H](CO)C1 ZINC000878714172 590614354 /nfs/dbraw/zinc/61/43/54/590614354.db2.gz JWEUJRYHRUQYMX-GHMZBOCLSA-N 0 3 245.319 0.003 20 0 BCADHN C[C@@H]1C[C@H](CO)CN(Cc2ccnn2C)C1 ZINC000878720489 590615672 /nfs/dbraw/zinc/61/56/72/590615672.db2.gz PHBKMMYMKBCVBG-MNOVXSKESA-N 0 3 223.320 0.870 20 0 BCADHN CC1(C(N)=O)CN(C[C@H]2CCC(C)(C)CO2)C1 ZINC000878758071 590618845 /nfs/dbraw/zinc/61/88/45/590618845.db2.gz FEDZXRCDMBIJLD-SNVBAGLBSA-N 0 3 240.347 0.999 20 0 BCADHN CCN1[C@H](C)CN(CCn2cnnn2)C[C@@H]1C ZINC000878835233 590630019 /nfs/dbraw/zinc/63/00/19/590630019.db2.gz BIQCHEOHECGNDQ-PHIMTYICSA-N 0 3 238.339 0.088 20 0 BCADHN C=C/C=C/CCN[C@@]1(C(N)=O)CCOC1 ZINC000878847730 590633462 /nfs/dbraw/zinc/63/34/62/590633462.db2.gz VWSMUKFYLPXIHP-UFFNRZRYSA-N 0 3 210.277 0.353 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)COC1CC1 ZINC000878952674 590655754 /nfs/dbraw/zinc/65/57/54/590655754.db2.gz BRDCJOMFHHGFLY-NSHDSACASA-N 0 3 228.336 0.868 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)COC1CC1 ZINC000878952673 590655861 /nfs/dbraw/zinc/65/58/61/590655861.db2.gz BRDCJOMFHHGFLY-LLVKDONJSA-N 0 3 228.336 0.868 20 0 BCADHN CN(CCc1nnnn1C)CC1=CCCOC1 ZINC000878937822 590656899 /nfs/dbraw/zinc/65/68/99/590656899.db2.gz YXDYXUAAPIVSFT-UHFFFAOYSA-N 0 3 237.307 0.031 20 0 BCADHN Cn1nnnc1CCN1CC2CC1(C)C2 ZINC000879008157 590677016 /nfs/dbraw/zinc/67/70/16/590677016.db2.gz BMEOPUFFEUBXED-UHFFFAOYSA-N 0 3 207.281 0.237 20 0 BCADHN COC(=O)[C@H](C)CN(C)CC(OC)OC ZINC000127544136 590703354 /nfs/dbraw/zinc/70/33/54/590703354.db2.gz UWXFOKXKCKBOKS-MRVPVSSYSA-N 0 3 219.281 0.346 20 0 BCADHN CC(C)(O)CCN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879042036 590686024 /nfs/dbraw/zinc/68/60/24/590686024.db2.gz VCQVOJSFDXBPNL-SNVBAGLBSA-N 0 3 246.326 0.683 20 0 BCADHN NC(=O)[C@H](F)C1CCN(CCCCO)CC1 ZINC000879048490 590686677 /nfs/dbraw/zinc/68/66/77/590686677.db2.gz VGKQCVQPRUCLIU-SNVBAGLBSA-N 0 3 232.299 0.294 20 0 BCADHN CN(C)CCN(C)C(=O)c1cccn2nccc12 ZINC000879064036 590690511 /nfs/dbraw/zinc/69/05/11/590690511.db2.gz XITHSCYLXRJTRL-UHFFFAOYSA-N 0 3 246.314 0.968 20 0 BCADHN C[C@]12CN(C/C=C/Cl)C[C@@]1(C)C(=O)NC2=O ZINC000879159918 590706287 /nfs/dbraw/zinc/70/62/87/590706287.db2.gz YXZVASUELRNPET-VMDCKITASA-N 0 3 242.706 0.724 20 0 BCADHN Cn1nnnc1CCN1CCC(CCF)CC1 ZINC000879211754 590716828 /nfs/dbraw/zinc/71/68/28/590716828.db2.gz VIMRAQBUTVXFSM-UHFFFAOYSA-N 0 3 241.314 0.824 20 0 BCADHN CO[C@H]1CN(CCOC(F)F)[C@](C)(CO)C1 ZINC000879261639 590723980 /nfs/dbraw/zinc/72/39/80/590723980.db2.gz NUBIMJYHKVHTGY-SCZZXKLOSA-N 0 3 239.262 0.697 20 0 BCADHN CC[C@]1(O)CCCN(C[C@@H]2CCC(=O)O2)C1 ZINC000879313345 590736312 /nfs/dbraw/zinc/73/63/12/590736312.db2.gz IYTYZPSDDYTXLM-JQWIXIFHSA-N 0 3 227.304 0.929 20 0 BCADHN CC[C@@]1(O)CCCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000879313132 590736928 /nfs/dbraw/zinc/73/69/28/590736928.db2.gz GGIWURMYNRKJRP-BXKDBHETSA-N 0 3 240.303 0.029 20 0 BCADHN CO[C@@H]1CC[C@H](C)N(CC(=O)N(C)C)C1 ZINC000879317580 590739442 /nfs/dbraw/zinc/73/94/42/590739442.db2.gz FYAQFUDFTPLXRN-VHSXEESVSA-N 0 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/nfs/dbraw/zinc/03/34/79/591033479.db2.gz KDHCUXLCCRXJLG-NEPJUHHUSA-N 0 3 247.335 0.385 20 0 BCADHN C[C@@H]1CC[C@H](CO)N1Cc1cncn1C ZINC000880439059 591039775 /nfs/dbraw/zinc/03/97/75/591039775.db2.gz JYDNEEPFWWZVKB-NXEZZACHSA-N 0 3 209.293 0.765 20 0 BCADHN COC(=O)/C(C)=C/CN1[C@@H](C)CC[C@H]1CO ZINC000880439163 591040880 /nfs/dbraw/zinc/04/08/80/591040880.db2.gz ODESLYDDLGCHHS-PRZVWEGYSA-N 0 3 227.304 0.951 20 0 BCADHN C[C@@H]1CC[C@H](CO)N1CC(=O)NC(C)(C)C ZINC000880440553 591043116 /nfs/dbraw/zinc/04/31/16/591043116.db2.gz FICVTCLYSKHJLV-NXEZZACHSA-N 0 3 228.336 0.746 20 0 BCADHN CC[C@@H](C)NC(=O)CN1[C@@H](C)CC[C@H]1CO ZINC000880442844 591044109 /nfs/dbraw/zinc/04/41/09/591044109.db2.gz VGHOBGJORCZZKV-VWYCJHECSA-N 0 3 228.336 0.746 20 0 BCADHN CC(C)NC(=O)CN1[C@@H](C)CC[C@H]1CO ZINC000880442371 591044844 /nfs/dbraw/zinc/04/48/44/591044844.db2.gz CXVCVKJNYUYYLI-UWVGGRQHSA-N 0 3 214.309 0.356 20 0 BCADHN CC(C)COC[C@@H](O)CN1CC=C[C@H]1CO ZINC000880483715 591056927 /nfs/dbraw/zinc/05/69/27/591056927.db2.gz ICUHKSKDLUYLGD-RYUDHWBXSA-N 0 3 229.320 0.253 20 0 BCADHN CC(C)OC[C@H](O)CN1CC=C[C@@H]1CO ZINC000880483192 591057209 /nfs/dbraw/zinc/05/72/09/591057209.db2.gz CFMJUYWUGFHUBF-GHMZBOCLSA-N 0 3 215.293 0.005 20 0 BCADHN Cc1nccn1CCN1CC=C[C@@H]1CO ZINC000880488292 591062622 /nfs/dbraw/zinc/06/26/22/591062622.db2.gz BPQMXVCWAPLHIV-LLVKDONJSA-N 0 3 207.277 0.424 20 0 BCADHN OCc1ccc(CN2CC=C[C@@H]2CO)cc1 ZINC000880488609 591063728 /nfs/dbraw/zinc/06/37/28/591063728.db2.gz IHPDUDBXGSUSGK-CYBMUJFWSA-N 0 3 219.284 0.912 20 0 BCADHN CO[C@H](CN1CC=C[C@H]1CO)[C@H]1CCOC1 ZINC000880495086 591072858 /nfs/dbraw/zinc/07/28/58/591072858.db2.gz ZHJFBKVQECJYAM-SDDRHHMPSA-N 0 3 227.304 0.271 20 0 BCADHN CO[C@H](CN1CC=C[C@@H]1CO)[C@H]1CCOC1 ZINC000880495085 591074232 /nfs/dbraw/zinc/07/42/32/591074232.db2.gz ZHJFBKVQECJYAM-QJPTWQEYSA-N 0 3 227.304 0.271 20 0 BCADHN O=C1NCCC[C@H]1N[C@@H]1CCC[C@]12CCCO2 ZINC000880515268 591083117 /nfs/dbraw/zinc/08/31/17/591083117.db2.gz CIJFVMYJVYMTTC-WZRBSPASSA-N 0 3 238.331 0.956 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CCc2ccccc2)C1 ZINC000880559253 591090876 /nfs/dbraw/zinc/09/08/76/591090876.db2.gz KPHOJBPFEUAXSM-CQSZACIVSA-N 0 3 249.310 0.839 20 0 BCADHN COC(=O)[C@@]1(O)CCN(C[C@@H](O)C(C)(C)C)C1 ZINC000880565862 591096026 /nfs/dbraw/zinc/09/60/26/591096026.db2.gz QWAKXYJJWBCHMU-BXKDBHETSA-N 0 3 245.319 0.003 20 0 BCADHN C=C/C=C/CCN1CC[C@](O)(C(=O)OC)C1 ZINC000880567472 591096543 /nfs/dbraw/zinc/09/65/43/591096543.db2.gz ICJFCMWPISRRAH-ZYOFXKKJSA-N 0 3 225.288 0.729 20 0 BCADHN CC[C@@H](O)CN(C)[C@@H](CC(C)C)C(N)=O ZINC000880587572 591101539 /nfs/dbraw/zinc/10/15/39/591101539.db2.gz HLZNACAYPRGFGE-ZJUUUORDSA-N 0 3 216.325 0.589 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)C[C@@H](C)CO ZINC000880590398 591103299 /nfs/dbraw/zinc/10/32/99/591103299.db2.gz PXFJHMBWQHHPPF-ZJUUUORDSA-N 0 3 216.325 0.447 20 0 BCADHN CCN(C(=O)COC1CC1)[C@@H]1CCN(C)C1 ZINC000880666481 591120920 /nfs/dbraw/zinc/12/09/20/591120920.db2.gz SIOADZZCJVTLIF-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN CCCN(C)CC(=O)NC1CSC1 ZINC000880734832 591133829 /nfs/dbraw/zinc/13/38/29/591133829.db2.gz JNIGQEGYGKIUFY-UHFFFAOYSA-N 0 3 202.323 0.560 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C)C ZINC000888835053 591138015 /nfs/dbraw/zinc/13/80/15/591138015.db2.gz AFVRAWDYAFLKRB-NAFSEIKSSA-N 0 3 238.331 0.619 20 0 BCADHN CCCCOC(=O)Cn1cc([C@H](C)N)nn1 ZINC000881011409 591159046 /nfs/dbraw/zinc/15/90/46/591159046.db2.gz TUHCWJDFDCSVLO-QMMMGPOBSA-N 0 3 226.280 0.641 20 0 BCADHN CC[C@@](C)(N)c1cn(CCC(OC)OC)nn1 ZINC000881195256 591168052 /nfs/dbraw/zinc/16/80/52/591168052.db2.gz BDXHHXRCJSWDEL-LLVKDONJSA-N 0 3 242.323 0.871 20 0 BCADHN COc1cc(NC(=O)NCCN(C)C)n(C)n1 ZINC000881245539 591175844 /nfs/dbraw/zinc/17/58/44/591175844.db2.gz BFOVZDJLVXWIEX-UHFFFAOYSA-N 0 3 241.295 0.112 20 0 BCADHN C[C@@H](N)c1cn(CC(=O)NCC2CCC2)nn1 ZINC000881287221 591181011 /nfs/dbraw/zinc/18/10/11/591181011.db2.gz LBWVRIGIOKTNII-MRVPVSSYSA-N 0 3 237.307 0.214 20 0 BCADHN CN(C)CCc1cn(Cc2ccc(F)cn2)nn1 ZINC000881325000 591191541 /nfs/dbraw/zinc/19/15/41/591191541.db2.gz HCPIXRSVZALAMR-UHFFFAOYSA-N 0 3 249.293 0.965 20 0 BCADHN C[C@H](N)c1cn(Cc2ccc(F)cn2)nn1 ZINC000881326098 591191901 /nfs/dbraw/zinc/19/19/01/591191901.db2.gz QKTIFNHRRSWHPK-ZETCQYMHSA-N 0 3 221.239 0.880 20 0 BCADHN C[C@@H](N)c1cn(Cc2cc3n(n2)CCCC3)nn1 ZINC000881361493 591195850 /nfs/dbraw/zinc/19/58/50/591195850.db2.gz STKBPYUDYXCFJJ-SECBINFHSA-N 0 3 246.318 0.879 20 0 BCADHN COc1cncc(Cn2cc([C@H](C)N)nn2)c1 ZINC000881377836 591198015 /nfs/dbraw/zinc/19/80/15/591198015.db2.gz ZSLMFVSKUXVNPS-QMMMGPOBSA-N 0 3 233.275 0.750 20 0 BCADHN CCc1nc([C@@H](C)n2cc([C@@H](C)N)nn2)n[nH]1 ZINC000881385225 591199259 /nfs/dbraw/zinc/19/92/59/591199259.db2.gz MEZIBESOPVATDI-RNFRBKRXSA-N 0 3 235.295 0.588 20 0 BCADHN C[C@H](N)c1cn(CC[C@@H]2COC(C)(C)O2)nn1 ZINC000881395281 591200784 /nfs/dbraw/zinc/20/07/84/591200784.db2.gz RTICFVDJZHGELG-DTWKUNHWSA-N 0 3 240.307 0.839 20 0 BCADHN CC(C)COC[C@@H](O)Cn1cc([C@@H](C)N)nn1 ZINC000881403527 591201414 /nfs/dbraw/zinc/20/14/14/591201414.db2.gz YMQWAMGKFLSBQK-ZJUUUORDSA-N 0 3 242.323 0.331 20 0 BCADHN O=C(NC[C@H]1C=CCC1)[C@@H]1CN2CCN1CCC2 ZINC000881494869 591217927 /nfs/dbraw/zinc/21/79/27/591217927.db2.gz DMCKSUYTNFEFGM-STQMWFEESA-N 0 3 249.358 0.459 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000211676213 591229409 /nfs/dbraw/zinc/22/94/09/591229409.db2.gz HQMGSIVIURSYHH-RKDXNWHRSA-N 0 3 200.282 0.217 20 0 BCADHN CC(C(=O)NC[C@]1(C)CC1(C)C)S(C)(=O)=O ZINC000881540071 591234204 /nfs/dbraw/zinc/23/42/04/591234204.db2.gz CUCJVGOQWJEMAK-KWQFWETISA-N 0 3 247.360 0.972 20 0 BCADHN CO[C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC000881573688 591245748 /nfs/dbraw/zinc/24/57/48/591245748.db2.gz RAASNJXGQABUIS-XYPYZODXSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H](N)C(=O)NCc1cnc(Cl)s1 ZINC000211779677 591267167 /nfs/dbraw/zinc/26/71/67/591267167.db2.gz DCBUZDVCDWYUFO-SCSAIBSYSA-N 0 3 219.697 0.760 20 0 BCADHN CCN1CC[C@H]1CNC(=O)[C@@H]1CCCN1C ZINC000882486282 591359230 /nfs/dbraw/zinc/35/92/30/591359230.db2.gz PCROKQZMKMVLCI-QWRGUYRKSA-N 0 3 225.336 0.291 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@H](N)CC ZINC000129784628 591404213 /nfs/dbraw/zinc/40/42/13/591404213.db2.gz DVLICJXDFVEPSH-MRVPVSSYSA-N 0 3 216.281 0.183 20 0 BCADHN Cc1cc(N[C@@H](C)CC(N)=O)nc(N)n1 ZINC000129864694 591414515 /nfs/dbraw/zinc/41/45/15/591414515.db2.gz CEGYVHIFTJWASZ-YFKPBYRVSA-N 0 3 209.253 0.043 20 0 BCADHN O=Cc1cnc(NC[C@@H]2CSCCN2)nc1 ZINC000882728191 591423077 /nfs/dbraw/zinc/42/30/77/591423077.db2.gz PZGRJBHZLTYUAQ-SECBINFHSA-N 0 3 238.316 0.406 20 0 BCADHN O=Cc1cnc(NC[C@H]2CSCCN2)nc1 ZINC000882728192 591423664 /nfs/dbraw/zinc/42/36/64/591423664.db2.gz PZGRJBHZLTYUAQ-VIFPVBQESA-N 0 3 238.316 0.406 20 0 BCADHN Cn1ncc2c1ncnc2N1CCNC(C)(C)C1 ZINC000212747855 591426377 /nfs/dbraw/zinc/42/63/77/591426377.db2.gz GXXODOLEYQFVNR-UHFFFAOYSA-N 0 3 246.318 0.552 20 0 BCADHN CC[S@](=O)CCNCc1cc[nH]c1 ZINC000129983284 591427495 /nfs/dbraw/zinc/42/74/95/591427495.db2.gz GSAIGJRVSUQXDC-CYBMUJFWSA-N 0 3 200.307 0.873 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H](O)c1ccsc1 ZINC000129993347 591427890 /nfs/dbraw/zinc/42/78/90/591427890.db2.gz HUPYCTZZNJODDT-RKDXNWHRSA-N 0 3 228.317 0.635 20 0 BCADHN O=c1oc2ccc(CNCCCO)cc2o1 ZINC000882878810 591460731 /nfs/dbraw/zinc/46/07/31/591460731.db2.gz SXLSBVLEXWLNPM-UHFFFAOYSA-N 0 3 223.228 0.858 20 0 BCADHN COCCNCc1c2c(nn1C)CCSC2 ZINC000882879383 591462069 /nfs/dbraw/zinc/46/20/69/591462069.db2.gz UXYDAJZCHYSGIU-UHFFFAOYSA-N 0 3 241.360 0.945 20 0 BCADHN C[S@@](=O)CCCNCc1ccncc1N ZINC000883008204 591504778 /nfs/dbraw/zinc/50/47/78/591504778.db2.gz UAUKMHVHLBTCFW-OAHLLOKOSA-N 0 3 227.333 0.522 20 0 BCADHN Nc1cnccc1CN[C@@H](CCO)C1CC1 ZINC000883016485 591515847 /nfs/dbraw/zinc/51/58/47/591515847.db2.gz AOSDQRIQCWJCCE-LBPRGKRZSA-N 0 3 221.304 0.914 20 0 BCADHN CN(CCOCC1CC1)CCN1CCOC1=O ZINC000130795701 591519429 /nfs/dbraw/zinc/51/94/29/591519429.db2.gz RHXVXPDMMQIZGL-UHFFFAOYSA-N 0 3 242.319 0.797 20 0 BCADHN CCCN(C)CC(=O)N1CCc2ncncc2C1 ZINC000883034542 591522036 /nfs/dbraw/zinc/52/20/36/591522036.db2.gz YFQYJDFIQTZASL-UHFFFAOYSA-N 0 3 248.330 0.703 20 0 BCADHN CC[C@H](C(=O)N1CCc2ncncc2C1)N(C)C ZINC000883037411 591522722 /nfs/dbraw/zinc/52/27/22/591522722.db2.gz WYKYKRUTXYNBHX-GFCCVEGCSA-N 0 3 248.330 0.702 20 0 BCADHN CO[C@H](C)[C@@H](C)NCCS(=O)(=O)CC1CC1 ZINC000130841682 591529177 /nfs/dbraw/zinc/52/91/77/591529177.db2.gz GWYSDERBXFTSPG-NXEZZACHSA-N 0 3 249.376 0.824 20 0 BCADHN CN1CCC(NC(=O)N2CC=C[C@@H]2CO)CC1 ZINC000883057978 591531265 /nfs/dbraw/zinc/53/12/65/591531265.db2.gz DSEVJMMFYNAVLZ-LLVKDONJSA-N 0 3 239.319 0.023 20 0 BCADHN Cn1nccc1CCNCc1ccncc1N ZINC000883089006 591538675 /nfs/dbraw/zinc/53/86/75/591538675.db2.gz XPQSFXIDOFAFKO-UHFFFAOYSA-N 0 3 231.303 0.730 20 0 BCADHN O[C@@H]1COC[C@H]1NCc1cccc2c1CCOC2 ZINC000883135442 591548032 /nfs/dbraw/zinc/54/80/32/591548032.db2.gz FDBXIFNNKCLPBN-ZIAGYGMSSA-N 0 3 249.310 0.609 20 0 BCADHN O=c1[nH]c2ccc(CN[C@@H]3CC[C@H]3O)cc2[nH]1 ZINC000883150575 591553730 /nfs/dbraw/zinc/55/37/30/591553730.db2.gz MJTBWGBPLDIMEF-MWLCHTKSSA-N 0 3 233.271 0.881 20 0 BCADHN CCn1cncc1CNCCN(C)OC ZINC000883170745 591559669 /nfs/dbraw/zinc/55/96/69/591559669.db2.gz BLTXWAPRCHBXNX-UHFFFAOYSA-N 0 3 212.297 0.486 20 0 BCADHN COc1cncc(CNCCN(C)OC)c1C ZINC000883171478 591560721 /nfs/dbraw/zinc/56/07/21/591560721.db2.gz ZLXLKSCABUPODB-UHFFFAOYSA-N 0 3 239.319 0.981 20 0 BCADHN CON(C)CCNCc1cnc(N(C)C)nc1 ZINC000883172416 591561984 /nfs/dbraw/zinc/56/19/84/591561984.db2.gz GUIUKDKOROPTCZ-UHFFFAOYSA-N 0 3 239.323 0.125 20 0 BCADHN Cn1nccc1CNC[C@@H](CO)Cc1ccoc1 ZINC000883268068 591601372 /nfs/dbraw/zinc/60/13/72/591601372.db2.gz BIAKGMVOAMNNMH-LBPRGKRZSA-N 0 3 249.314 0.954 20 0 BCADHN CC(C)[C@H](C)NCc1nnc2c(=O)n(C)ccn12 ZINC000883331890 591617454 /nfs/dbraw/zinc/61/74/54/591617454.db2.gz JAPXORUQDFCLRA-VIFPVBQESA-N 0 3 249.318 0.562 20 0 BCADHN CCN1CC[C@H]1CNCc1ccc(C)nn1 ZINC000883359163 591628963 /nfs/dbraw/zinc/62/89/63/591628963.db2.gz ZIXUHAREODGNGC-LBPRGKRZSA-N 0 3 220.320 0.969 20 0 BCADHN CCN1CC[C@H]1CNCc1cnnn1CC ZINC000883358926 591629047 /nfs/dbraw/zinc/62/90/47/591629047.db2.gz UFUVVWKEXSJFEI-JTQLQIEISA-N 0 3 223.324 0.482 20 0 BCADHN CCN1CC[C@H]1CNCc1cnc2cnccn12 ZINC000883360310 591629861 /nfs/dbraw/zinc/62/98/61/591629861.db2.gz ZSFAAUIUCPQBAQ-NSHDSACASA-N 0 3 245.330 0.913 20 0 BCADHN CC[C@@H](O)CCNc1cc(C)nc(N)n1 ZINC000131635912 591631027 /nfs/dbraw/zinc/63/10/27/591631027.db2.gz RMWPEBINQHRDJX-MRVPVSSYSA-N 0 3 210.281 0.940 20 0 BCADHN Cn1ncc(CNC2CCC3(COC3)CC2)n1 ZINC000883389843 591641536 /nfs/dbraw/zinc/64/15/36/591641536.db2.gz ZVWUAEGJSJPBRC-UHFFFAOYSA-N 0 3 236.319 0.864 20 0 BCADHN C[C@@H]1C[N@H+](CC(=O)[O-])CCN1c1ccncc1 ZINC000883410855 591651798 /nfs/dbraw/zinc/65/17/98/591651798.db2.gz KNNLWPUIVNGHOK-SNVBAGLBSA-N 0 3 235.287 0.677 20 0 BCADHN C[C@@H]1C[N@@H+](CC(=O)[O-])CCN1c1ccncc1 ZINC000883410855 591651801 /nfs/dbraw/zinc/65/18/01/591651801.db2.gz KNNLWPUIVNGHOK-SNVBAGLBSA-N 0 3 235.287 0.677 20 0 BCADHN CN(C[C@@H]1C[C@H](F)CN1)[C@@H]1CCCCNC1=O ZINC000883420375 591655942 /nfs/dbraw/zinc/65/59/42/591655942.db2.gz JOHZJNAZKYQTBR-GARJFASQSA-N 0 3 243.326 0.287 20 0 BCADHN CCCCN(CC(N)=O)C[C@@H]1C[C@H](F)CN1 ZINC000883420559 591655948 /nfs/dbraw/zinc/65/59/48/591655948.db2.gz NSQAKJYWPKEJIS-UWVGGRQHSA-N 0 3 231.315 0.274 20 0 BCADHN Cc1nonc1CN1CCNC[C@H]1C(F)F ZINC000883427822 591660228 /nfs/dbraw/zinc/66/02/28/591660228.db2.gz CXXIUPVUPHUQQX-QMMMGPOBSA-N 0 3 232.234 0.417 20 0 BCADHN Cn1nccc1CCNC(=O)[C@H]1CCCN1C ZINC000131961058 591680613 /nfs/dbraw/zinc/68/06/13/591680613.db2.gz LJYZSHQJKCWOCI-LLVKDONJSA-N 0 3 236.319 0.173 20 0 BCADHN CC(C)C[C@@H](O)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000132135236 591688728 /nfs/dbraw/zinc/68/87/28/591688728.db2.gz BNVVYJKIZZVLEO-GHMZBOCLSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@H](CCO)N[C@@H]1CCCCNC1=O ZINC000132971925 591752750 /nfs/dbraw/zinc/75/27/50/591752750.db2.gz MKVQICKSFYFRFI-RKDXNWHRSA-N 0 3 200.282 0.016 20 0 BCADHN C[C@H](CCO)N[C@H](C)C(=O)NCc1ccco1 ZINC000132892120 591746991 /nfs/dbraw/zinc/74/69/91/591746991.db2.gz SSLNIELDYTUXQO-NXEZZACHSA-N 0 3 240.303 0.645 20 0 BCADHN C[C@@H](CCO)NCC(=O)NC1CCCCC1 ZINC000132908047 591747025 /nfs/dbraw/zinc/74/70/25/591747025.db2.gz XFHAJDRSKQQJRU-JTQLQIEISA-N 0 3 228.336 0.796 20 0 BCADHN C[C@@H](CCO)N[C@@H]1CCCCNC1=O ZINC000132971739 591752132 /nfs/dbraw/zinc/75/21/32/591752132.db2.gz MKVQICKSFYFRFI-DTWKUNHWSA-N 0 3 200.282 0.016 20 0 BCADHN OCc1ccc(CNC[C@H]2COCCO2)cc1 ZINC000133040395 591757099 /nfs/dbraw/zinc/75/70/99/591757099.db2.gz TUVZUBWPNPKXKA-ZDUSSCGKSA-N 0 3 237.299 0.684 20 0 BCADHN O=C(N1CCCNCC1)C1(C2CC2)CC1 ZINC000884009856 591797517 /nfs/dbraw/zinc/79/75/17/591797517.db2.gz JOTLHEOBFRADLF-UHFFFAOYSA-N 0 3 208.305 0.999 20 0 BCADHN O=C(NC1CC1)c1ccnc(N2CCNCC2)c1 ZINC000884046688 591826291 /nfs/dbraw/zinc/82/62/91/591826291.db2.gz NNJJNEUVKKDBDM-UHFFFAOYSA-N 0 3 246.314 0.383 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000884071185 591843883 /nfs/dbraw/zinc/84/38/83/591843883.db2.gz LUHQUYBOISJXEW-TUAOUCFPSA-N 0 3 234.299 0.632 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@H](N)CC1CC1 ZINC000884120561 591854115 /nfs/dbraw/zinc/85/41/15/591854115.db2.gz OOQBXWHISVBOFU-IONNQARKSA-N 0 3 228.292 0.039 20 0 BCADHN CCN(C)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884119366 591854868 /nfs/dbraw/zinc/85/48/68/591854868.db2.gz KFGJTXZONUUNBA-UHFFFAOYSA-N 0 3 248.330 0.583 20 0 BCADHN CN(CCC1OCCCO1)[C@@H]1CCOC1 ZINC000133766099 591855699 /nfs/dbraw/zinc/85/56/99/591855699.db2.gz AVUDGMKYAIFADN-SNVBAGLBSA-N 0 3 215.293 0.860 20 0 BCADHN COC(=O)CC(C)(C)NC(=O)[C@@H](N)CC1CC1 ZINC000884141791 591860056 /nfs/dbraw/zinc/86/00/56/591860056.db2.gz JFBAXYIPYQDOOH-VIFPVBQESA-N 0 3 242.319 0.572 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000884152724 591864070 /nfs/dbraw/zinc/86/40/70/591864070.db2.gz RRVXABFEQMVWLI-NHCYSSNCSA-N 0 3 244.335 0.018 20 0 BCADHN Cn1nc2c(c1NC(=O)[C@H](N)CC1CC1)CCC2 ZINC000884175288 591866135 /nfs/dbraw/zinc/86/61/35/591866135.db2.gz OOQLYCIPPOACSW-SNVBAGLBSA-N 0 3 248.330 0.975 20 0 BCADHN Cn1nc2c(c1NC(=O)[C@@H](N)CC1CC1)CCC2 ZINC000884175287 591866265 /nfs/dbraw/zinc/86/62/65/591866265.db2.gz OOQLYCIPPOACSW-JTQLQIEISA-N 0 3 248.330 0.975 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000884174095 591866274 /nfs/dbraw/zinc/86/62/74/591866274.db2.gz JPFSKCYDZBIFEC-DBIOUOCHSA-N 0 3 242.319 0.034 20 0 BCADHN NC(=O)CC1(NC(=O)[C@H](N)CC2CC2)CCC1 ZINC000884172446 591866648 /nfs/dbraw/zinc/86/66/48/591866648.db2.gz VJNCDHKZBCGMPZ-SECBINFHSA-N 0 3 239.319 0.028 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@H](C)c1ccncc1 ZINC000884229823 591874431 /nfs/dbraw/zinc/87/44/31/591874431.db2.gz BCFAKYGWTXUCOK-ONGXEEELSA-N 0 3 237.303 0.275 20 0 BCADHN CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2O)CCC1 ZINC000134105038 591886295 /nfs/dbraw/zinc/88/62/95/591886295.db2.gz CRFNMAULBMJKOR-GHMZBOCLSA-N 0 3 240.347 0.890 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000884267997 591888735 /nfs/dbraw/zinc/88/87/35/591888735.db2.gz SMPCBZWKTDFQCE-TUAOUCFPSA-N 0 3 237.347 0.467 20 0 BCADHN CCCNC(=O)CN[C@](C)(CC)CC(=O)OC ZINC000134159397 591893733 /nfs/dbraw/zinc/89/37/33/591893733.db2.gz FSZKZHJUMVEMFK-GFCCVEGCSA-N 0 3 244.335 0.834 20 0 BCADHN CCc1ncc(NC(=O)[C@H](N)CCOC)cn1 ZINC000884310012 591900829 /nfs/dbraw/zinc/90/08/29/591900829.db2.gz MFOKANDKYGIWNB-SECBINFHSA-N 0 3 238.291 0.341 20 0 BCADHN CC1(C)CN(C(=O)[C@@H](N)CC2CC2)CCN1 ZINC000884304950 591900964 /nfs/dbraw/zinc/90/09/64/591900964.db2.gz GSADSLGNIOFYFA-JTQLQIEISA-N 0 3 225.336 0.324 20 0 BCADHN COC(=O)[C@H](C)N(C)C(=O)[C@@H](N)CC1CC1 ZINC000884315254 591901880 /nfs/dbraw/zinc/90/18/80/591901880.db2.gz JXGDSLCHZFXTFW-CBAPKCEASA-N 0 3 228.292 0.134 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000884321193 591903966 /nfs/dbraw/zinc/90/39/66/591903966.db2.gz IJAYUWAMOQYTNW-MXWKQRLJSA-N 0 3 242.319 0.034 20 0 BCADHN C[C@H]1c2nncn2CCN1C(=O)[C@@H](N)CC1CC1 ZINC000884332609 591904466 /nfs/dbraw/zinc/90/44/66/591904466.db2.gz RAPQMPGFWPENFC-WPRPVWTQSA-N 0 3 249.318 0.309 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000884377118 591919328 /nfs/dbraw/zinc/91/93/28/591919328.db2.gz YZYDHXLBKIMABT-KYXWUPHJSA-N 0 3 212.293 0.265 20 0 BCADHN CC[C@@H](NC(=O)[C@H](CN)OC)[C@H]1CCCO1 ZINC000884379907 591921068 /nfs/dbraw/zinc/92/10/68/591921068.db2.gz NQLNRUVZHVDUJI-BBBLOLIVSA-N 0 3 230.308 0.034 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000884406687 591926549 /nfs/dbraw/zinc/92/65/49/591926549.db2.gz CIMLOSLOABYVCH-GUBZILKMSA-N 0 3 230.308 0.034 20 0 BCADHN COCC[C@@H](N)C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000884410886 591928301 /nfs/dbraw/zinc/92/83/01/591928301.db2.gz VQMJTLDDTKLCMT-OUAUKWLOSA-N 0 3 244.335 0.376 20 0 BCADHN CC(C)[C@@H]1CNCCN1C(=O)[C@H](N)CC1CC1 ZINC000884430535 591931888 /nfs/dbraw/zinc/93/18/88/591931888.db2.gz SRJJBBZUIGSKNF-NEPJUHHUSA-N 0 3 239.363 0.570 20 0 BCADHN COCC[C@H](N)C(=O)N(C1CC1)C1CC1 ZINC000884434579 591933466 /nfs/dbraw/zinc/93/34/66/591933466.db2.gz QFTOSIHCLWDJPS-JTQLQIEISA-N 0 3 212.293 0.504 20 0 BCADHN N[C@H](CC1CC1)C(=O)Nc1cnn(CCF)c1 ZINC000884433078 591933638 /nfs/dbraw/zinc/93/36/38/591933638.db2.gz ZTALVRKGLHSXLG-SNVBAGLBSA-N 0 3 240.282 0.919 20 0 BCADHN CCn1nc(C)cc1NC(=O)[C@H](N)CCOC ZINC000884440992 591935045 /nfs/dbraw/zinc/93/50/45/591935045.db2.gz WZFGKKFGWGOKMC-SECBINFHSA-N 0 3 240.307 0.514 20 0 BCADHN COCC[C@H](N)C(=O)NCC(C)(C)F ZINC000884449603 591937380 /nfs/dbraw/zinc/93/73/80/591937380.db2.gz JFVCNYQMYDHMEK-ZETCQYMHSA-N 0 3 206.261 0.215 20 0 BCADHN CC1(C)C[C@@H](O)CN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884472454 591945184 /nfs/dbraw/zinc/94/51/84/591945184.db2.gz ZUXQFFLPOHCIFW-GHMZBOCLSA-N 0 3 240.347 0.733 20 0 BCADHN Cn1cc([C@@H](CO)N[C@H]2CCCSC2)cn1 ZINC000134816988 591952381 /nfs/dbraw/zinc/95/23/81/591952381.db2.gz FDAUHENMOOAJHU-WDEREUQCSA-N 0 3 241.360 0.939 20 0 BCADHN Cc1cnc(N2C[C@H]3CN(C)C[C@H]3C2)o1 ZINC000884489152 591954741 /nfs/dbraw/zinc/95/47/41/591954741.db2.gz QWSXQBKZKKGRMO-AOOOYVTPSA-N 0 3 207.277 0.981 20 0 BCADHN Cn1ccc(CNCCc2ccnn2C)n1 ZINC000135033684 591974495 /nfs/dbraw/zinc/97/44/95/591974495.db2.gz GXKFGGKODAKONC-UHFFFAOYSA-N 0 3 219.292 0.486 20 0 BCADHN CCC[C@](C)(N)C(=O)NCC(=O)N(CC)CC ZINC000135267360 592000349 /nfs/dbraw/zinc/00/03/49/592000349.db2.gz GKJKHDZYJYHSBE-LBPRGKRZSA-N 0 3 243.351 0.489 20 0 BCADHN Cc1cc(NCCN(C)CCO)nc(C)n1 ZINC000884824126 592018412 /nfs/dbraw/zinc/01/84/12/592018412.db2.gz RTPJWFZTPCLTPZ-UHFFFAOYSA-N 0 3 224.308 0.429 20 0 BCADHN CN(CCO)CCNc1cn[nH]c(=O)c1Cl ZINC000884824414 592022052 /nfs/dbraw/zinc/02/20/52/592022052.db2.gz YSNJSKQFBZUNOJ-UHFFFAOYSA-N 0 3 246.698 0.172 20 0 BCADHN CC(C)c1cc(NCCN(C)CCO)ncn1 ZINC000884824713 592022362 /nfs/dbraw/zinc/02/23/62/592022362.db2.gz JUEIJOOBNPCLGA-UHFFFAOYSA-N 0 3 238.335 0.936 20 0 BCADHN Cc1cc(CO)cc(NCCN(C)CCO)n1 ZINC000884825248 592023653 /nfs/dbraw/zinc/02/36/53/592023653.db2.gz NCCYTDPCXKHEMV-UHFFFAOYSA-N 0 3 239.319 0.218 20 0 BCADHN CCCc1nsc(NCCN(C)CCO)n1 ZINC000884825218 592023904 /nfs/dbraw/zinc/02/39/04/592023904.db2.gz LSVKXIOMKWYTFS-UHFFFAOYSA-N 0 3 244.364 0.827 20 0 BCADHN C[NH+](C)CCC[N-]S(=O)(=O)c1ccns1 ZINC000884872754 592025964 /nfs/dbraw/zinc/02/59/64/592025964.db2.gz SCDNPMNIPJERDY-UHFFFAOYSA-N 0 3 249.361 0.373 20 0 BCADHN COCCOC(=O)NC[C@@H]1CCCN1C ZINC000884977298 592032137 /nfs/dbraw/zinc/03/21/37/592032137.db2.gz OLPHEOIKDVLQCB-VIFPVBQESA-N 0 3 216.281 0.453 20 0 BCADHN COCCOC(=O)N(C)CCN(C)C ZINC000885039962 592037623 /nfs/dbraw/zinc/03/76/23/592037623.db2.gz AYNWYRDFYYOGPW-UHFFFAOYSA-N 0 3 204.270 0.263 20 0 BCADHN COCCOC(=O)N1CCC[C@@H]1CN(C)C ZINC000885058812 592042322 /nfs/dbraw/zinc/04/23/22/592042322.db2.gz FTRBLCODGGVVMC-SNVBAGLBSA-N 0 3 230.308 0.795 20 0 BCADHN COCCOC(=O)NCC1(N(C)C)CC1 ZINC000885263289 592061310 /nfs/dbraw/zinc/06/13/10/592061310.db2.gz SBEXBWSJAPKSBE-UHFFFAOYSA-N 0 3 216.281 0.453 20 0 BCADHN CCNC(=O)CN(CC)C[C@@H]1C[C@@]12CCOC2 ZINC000885940855 592112331 /nfs/dbraw/zinc/11/23/31/592112331.db2.gz TXNLBOACEPUGSW-WCQYABFASA-N 0 3 240.347 0.871 20 0 BCADHN C[C@@](O)(CN1CCC[C@@H](CO)C1)C(F)F ZINC000885944848 592112632 /nfs/dbraw/zinc/11/26/32/592112632.db2.gz WENRXCMPDZUBJO-PSASIEDQSA-N 0 3 223.263 0.707 20 0 BCADHN NC(=O)[C@@H]1CCCCN1C[C@@H]1C[C@@]12CCOC2 ZINC000885946998 592112766 /nfs/dbraw/zinc/11/27/66/592112766.db2.gz XELGGYICCLNFHW-GMXVVIOVSA-N 0 3 238.331 0.753 20 0 BCADHN O=C1CN(C[C@H]2C[C@]23CCOC3)CCCN1 ZINC000885981547 592118694 /nfs/dbraw/zinc/11/86/94/592118694.db2.gz IHTQSYIFQUWLJR-PWSUYJOCSA-N 0 3 224.304 0.235 20 0 BCADHN CC[S@@](=O)CCNCc1[nH]nc(C)c1C ZINC000885977982 592119798 /nfs/dbraw/zinc/11/97/98/592119798.db2.gz PTLUUCHEIHIJHS-OAHLLOKOSA-N 0 3 229.349 0.885 20 0 BCADHN CC[S@@](=O)CCNCc1n[nH]c(C)c1C ZINC000885977982 592119799 /nfs/dbraw/zinc/11/97/99/592119799.db2.gz PTLUUCHEIHIJHS-OAHLLOKOSA-N 0 3 229.349 0.885 20 0 BCADHN COC[C@@](C)(O)CNCc1[nH]nc(C)c1C ZINC000885979530 592120182 /nfs/dbraw/zinc/12/01/82/592120182.db2.gz FRRBKZDBVASWBS-NSHDSACASA-N 0 3 227.308 0.514 20 0 BCADHN COC[C@@](C)(O)CNCc1n[nH]c(C)c1C ZINC000885979530 592120184 /nfs/dbraw/zinc/12/01/84/592120184.db2.gz FRRBKZDBVASWBS-NSHDSACASA-N 0 3 227.308 0.514 20 0 BCADHN Cc1n[nH]c(CN[C@@H](CO)C2CC2)c1C ZINC000885988618 592122859 /nfs/dbraw/zinc/12/28/59/592122859.db2.gz KNABXJXQQUGJAK-NSHDSACASA-N 0 3 209.293 0.887 20 0 BCADHN CN(C[C@H](O)C1CC1)C[C@](C)(O)C(F)F ZINC000886035796 592130092 /nfs/dbraw/zinc/13/00/92/592130092.db2.gz RDJSBLXVJHEKSY-WPRPVWTQSA-N 0 3 223.263 0.705 20 0 BCADHN C[C@@H](O)CCN(C)C[C@@](C)(O)C(F)F ZINC000886021640 592133759 /nfs/dbraw/zinc/13/37/59/592133759.db2.gz ZQHLGYGDHWJYGT-VXNVDRBHSA-N 0 3 211.252 0.705 20 0 BCADHN CC[C@@H]1CN(C[C@@](C)(O)C(F)F)C[C@@H]1O ZINC000886094501 592148096 /nfs/dbraw/zinc/14/80/96/592148096.db2.gz UGCIOSYOALIVNK-KHQFGBGNSA-N 0 3 223.263 0.705 20 0 BCADHN C[C@@H]1CN(C[C@@](C)(O)C(F)F)C[C@H]1O ZINC000886100424 592154760 /nfs/dbraw/zinc/15/47/60/592154760.db2.gz NEZOCBSGXSPKSN-ZXFLCMHBSA-N 0 3 209.236 0.315 20 0 BCADHN C[C@@H]1CN(C[C@](C)(O)C(F)F)CC[C@H]1O ZINC000886146841 592162512 /nfs/dbraw/zinc/16/25/12/592162512.db2.gz DCFHTMLZOAUDKJ-MRTMQBJTSA-N 0 3 223.263 0.705 20 0 BCADHN CCC[C@@H](O)[C@H](CO)NCc1[nH]nc(C)c1C ZINC000886145077 592162577 /nfs/dbraw/zinc/16/25/77/592162577.db2.gz OPUKNZBEFYHMEB-NWDGAFQWSA-N 0 3 241.335 0.638 20 0 BCADHN CCC[C@@H](O)[C@H](CO)NCc1n[nH]c(C)c1C ZINC000886145077 592162578 /nfs/dbraw/zinc/16/25/78/592162578.db2.gz OPUKNZBEFYHMEB-NWDGAFQWSA-N 0 3 241.335 0.638 20 0 BCADHN C[C@](O)(CN1C[C@@H]2C[C@]2(CO)C1)C(F)F ZINC000886160147 592165150 /nfs/dbraw/zinc/16/51/50/592165150.db2.gz LFHNNBQIAHHRRS-UJNFCWOMSA-N 0 3 221.247 0.317 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2[nH]nc(C)c2C)C1 ZINC000886166881 592167734 /nfs/dbraw/zinc/16/77/34/592167734.db2.gz UPNFDKBYFBBBJP-LLVKDONJSA-N 0 3 236.319 0.737 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2n[nH]c(C)c2C)C1 ZINC000886166881 592167736 /nfs/dbraw/zinc/16/77/36/592167736.db2.gz UPNFDKBYFBBBJP-LLVKDONJSA-N 0 3 236.319 0.737 20 0 BCADHN CO[C@@H]1CN(C[C@](C)(O)C(F)F)C[C@@H]1OC ZINC000886170399 592168873 /nfs/dbraw/zinc/16/88/73/592168873.db2.gz YABPKWUPRNQESG-XKSSXDPKSA-N 0 3 239.262 0.348 20 0 BCADHN CNS(=O)(=O)CCCNCc1cc(C)co1 ZINC000886174525 592169138 /nfs/dbraw/zinc/16/91/38/592169138.db2.gz CODBDMTVXHLZQO-UHFFFAOYSA-N 0 3 246.332 0.617 20 0 BCADHN C[C@@](O)(CN1C[C@H](O)C(C)(C)C1)C(F)F ZINC000886178831 592170571 /nfs/dbraw/zinc/17/05/71/592170571.db2.gz GOGAHJJFIDJZCM-OIBJUYFYSA-N 0 3 223.263 0.705 20 0 BCADHN C[C@](O)(CN1C[C@@H](O)C(C)(C)C1)C(F)F ZINC000886178832 592170920 /nfs/dbraw/zinc/17/09/20/592170920.db2.gz GOGAHJJFIDJZCM-XCBNKYQSSA-N 0 3 223.263 0.705 20 0 BCADHN CCN(C[C@@H]1C[C@]12CCOC2)[C@@H]1CCNC1=O ZINC000886187904 592172444 /nfs/dbraw/zinc/17/24/44/592172444.db2.gz FEFXEYUBCCKMBV-LOWVWBTDSA-N 0 3 238.331 0.623 20 0 BCADHN C([C@@H]1C[C@@]12CCOC2)N1C[C@@H]2COC[C@H](C1)O2 ZINC000886192317 592173440 /nfs/dbraw/zinc/17/34/40/592173440.db2.gz QZSWZUCOGBUXQP-WUHRBBMRSA-N 0 3 239.315 0.513 20 0 BCADHN COC(=O)c1cc(CN[C@]23C[C@H]2COC3)c[nH]1 ZINC000886200612 592175025 /nfs/dbraw/zinc/17/50/25/592175025.db2.gz UBFWYLLVVNOMMF-CABZTGNLSA-N 0 3 236.271 0.680 20 0 BCADHN OC[C@@H](C[C@H]1CCCO1)NCc1cn[nH]c1 ZINC000886219946 592179288 /nfs/dbraw/zinc/17/92/88/592179288.db2.gz AKLNVYBKTJEKDX-GHMZBOCLSA-N 0 3 225.292 0.429 20 0 BCADHN C[C@@H]1CN(CCO)CCN1CCCCCCO ZINC000886238907 592182872 /nfs/dbraw/zinc/18/28/72/592182872.db2.gz LPEIDCCOMRXBTH-CYBMUJFWSA-N 0 3 244.379 0.538 20 0 BCADHN Cn1nccc1[C@@H](CO)NCCCCCCO ZINC000886243300 592184019 /nfs/dbraw/zinc/18/40/19/592184019.db2.gz UVDSIYULGNCALV-LLVKDONJSA-N 0 3 241.335 0.596 20 0 BCADHN O[C@@H]1C[C@@H](NCc2cc3cccnc3o2)C[C@@H]1O ZINC000886247719 592185204 /nfs/dbraw/zinc/18/52/04/592185204.db2.gz ZFFZGIRAPVBWIM-WLLOZRIZSA-N 0 3 248.282 0.802 20 0 BCADHN CCc1ncc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)cn1 ZINC000886247259 592185426 /nfs/dbraw/zinc/18/54/26/592185426.db2.gz LRDXMWZRVWDGHQ-RTCCRHLQSA-N 0 3 237.303 0.013 20 0 BCADHN O[C@@H]1C[C@@H](NCc2cc3cnccc3o2)C[C@@H]1O ZINC000886247047 592185495 /nfs/dbraw/zinc/18/54/95/592185495.db2.gz FYBARGJQISLRBF-WLLOZRIZSA-N 0 3 248.282 0.802 20 0 BCADHN Cc1c[nH]nc1CN[C@H](CO)[C@@H]1CCCOC1 ZINC000886246938 592185597 /nfs/dbraw/zinc/18/55/97/592185597.db2.gz BMSZGSJOWQCGKL-ZYHUDNBSSA-N 0 3 239.319 0.595 20 0 BCADHN O[C@@H]1C[C@@H](NCc2cnc(C3CC3)nc2)C[C@@H]1O ZINC000886247372 592185881 /nfs/dbraw/zinc/18/58/81/592185881.db2.gz PAMGYOZFLDADHY-CNDDSTCGSA-N 0 3 249.314 0.328 20 0 BCADHN C[C@](O)(CN1CCC2(COC2)C1)C(F)F ZINC000886285188 592200477 /nfs/dbraw/zinc/20/04/77/592200477.db2.gz ASMQDVFCAPAKSH-VIFPVBQESA-N 0 3 221.247 0.725 20 0 BCADHN O[C@@H]1C[C@H](NCc2ccsc2)C[C@@H]1O ZINC000886258028 592189344 /nfs/dbraw/zinc/18/93/44/592189344.db2.gz SQLWIQHSIZIPJL-ILWJIGKKSA-N 0 3 213.302 0.722 20 0 BCADHN O[C@@H]1CC[C@@H](NCc2cncs2)CC[C@@H]1O ZINC000886259702 592189360 /nfs/dbraw/zinc/18/93/60/592189360.db2.gz FWFGDWLQGKOSHR-UIKWRGBMSA-N 0 3 242.344 0.897 20 0 BCADHN O[C@@H]1CC[C@H](NCC2(F)CC2)CC[C@@H]1O ZINC000886262558 592189674 /nfs/dbraw/zinc/18/96/74/592189674.db2.gz URTCEHRMFSPTAZ-ILWJIGKKSA-N 0 3 217.284 0.743 20 0 BCADHN C[C@H]1CC[C@@H](NCc2nnc3c(=O)[nH]ccn23)C1 ZINC000886290697 592201921 /nfs/dbraw/zinc/20/19/21/592201921.db2.gz LQXCXBCBONGREA-DTWKUNHWSA-N 0 3 247.302 0.696 20 0 BCADHN C[C@](O)(CN1C[C@H]2C[C@@]2(O)C1)C(F)F ZINC000886318331 592207292 /nfs/dbraw/zinc/20/72/92/592207292.db2.gz QIGGZTUGIOMEOI-BWVDBABLSA-N 0 3 207.220 0.069 20 0 BCADHN Cc1n[nH]c(CNCCN2CCNC2=O)c1C ZINC000886323209 592208114 /nfs/dbraw/zinc/20/81/14/592208114.db2.gz OPNXLECSSSDGRR-UHFFFAOYSA-N 0 3 237.307 0.141 20 0 BCADHN Cc1[nH]nc(CNCCN2CCNC2=O)c1C ZINC000886323209 592208115 /nfs/dbraw/zinc/20/81/15/592208115.db2.gz OPNXLECSSSDGRR-UHFFFAOYSA-N 0 3 237.307 0.141 20 0 BCADHN O=c1ccccn1CCN1C[C@@H]2C[C@@H]2C1 ZINC000886332810 592211228 /nfs/dbraw/zinc/21/12/28/592211228.db2.gz ZFHMQRRCJNBFKH-PHIMTYICSA-N 0 3 204.273 0.800 20 0 BCADHN CC(C)[C@H](NCCOCCO)c1cnn(C)c1 ZINC000886491486 592236633 /nfs/dbraw/zinc/23/66/33/592236633.db2.gz GDOBTZRBFPWHAX-LBPRGKRZSA-N 0 3 241.335 0.716 20 0 BCADHN CCNC(=O)CN[C@H]1CC[C@@H](C(=O)OC)C1 ZINC000886491411 592236801 /nfs/dbraw/zinc/23/68/01/592236801.db2.gz BXUMBESNIHULKQ-BDAKNGLRSA-N 0 3 228.292 0.054 20 0 BCADHN COC(=O)c1cncc([C@@H](C)N[C@H](C)CO)c1 ZINC000886509746 592240211 /nfs/dbraw/zinc/24/02/11/592240211.db2.gz BAFFJJZBZPGTLJ-RKDXNWHRSA-N 0 3 238.287 0.900 20 0 BCADHN CN(CCCOC(C)(C)C)[C@@H]1COC[C@H]1O ZINC000886509782 592240814 /nfs/dbraw/zinc/24/08/14/592240814.db2.gz CAVHBZQJGLOAQV-GHMZBOCLSA-N 0 3 231.336 0.883 20 0 BCADHN C[C@@H]1OCC[C@H]1CN(C)[C@@H]1COC[C@H]1O ZINC000886517973 592241829 /nfs/dbraw/zinc/24/18/29/592241829.db2.gz YNSDGQOQLWTGSV-UKKRHICBSA-N 0 3 215.293 0.103 20 0 BCADHN CN(CC1CCC(=O)CC1)[C@@H]1COC[C@H]1O ZINC000886516335 592241851 /nfs/dbraw/zinc/24/18/51/592241851.db2.gz DCZYBLXIROIEES-VXGBXAGGSA-N 0 3 227.304 0.437 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN(C)[C@@H]1COC[C@H]1O ZINC000886517972 592243061 /nfs/dbraw/zinc/24/30/61/592243061.db2.gz YNSDGQOQLWTGSV-LNFKQOIKSA-N 0 3 215.293 0.103 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](N[C@H]2CC(=O)N(C)C2)C1 ZINC000886521373 592243804 /nfs/dbraw/zinc/24/38/04/592243804.db2.gz ZMUJDDAZYSWECG-BBBLOLIVSA-N 0 3 240.303 0.148 20 0 BCADHN C[C@@H](NC[C@H](O)CN1CCCC1)c1ncco1 ZINC000886531129 592246872 /nfs/dbraw/zinc/24/68/72/592246872.db2.gz WYURISMHJUHGHL-MNOVXSKESA-N 0 3 239.319 0.782 20 0 BCADHN C[C@H](NC[C@H](O)CN1CCCC1)c1ncco1 ZINC000886531130 592246932 /nfs/dbraw/zinc/24/69/32/592246932.db2.gz WYURISMHJUHGHL-QWRGUYRKSA-N 0 3 239.319 0.782 20 0 BCADHN COCC[C@H](N)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000219829470 592250606 /nfs/dbraw/zinc/25/06/06/592250606.db2.gz OICKQJLCNYMVLY-GUBZILKMSA-N 0 3 214.309 0.465 20 0 BCADHN CCNC(=O)CN1C[C@@H]2CSC[C@@H]2C1 ZINC000886553036 592258517 /nfs/dbraw/zinc/25/85/17/592258517.db2.gz BWUPGJGHJXVOKU-DTORHVGOSA-N 0 3 214.334 0.417 20 0 BCADHN c1[nH]nnc1CN1C[C@@H]2CSC[C@@H]2C1 ZINC000886570385 592262671 /nfs/dbraw/zinc/26/26/71/592262671.db2.gz JBQXDRNQZGBPAG-OCAPTIKFSA-N 0 3 210.306 0.600 20 0 BCADHN COC[C@@H](O)CN[C@@H](c1cnn(C)c1)C(C)C ZINC000886607140 592274319 /nfs/dbraw/zinc/27/43/19/592274319.db2.gz LRPWIQSZCPWMHJ-NWDGAFQWSA-N 0 3 241.335 0.714 20 0 BCADHN O=C(CN1CC[C@@]2(CO)CCC[C@@H]12)N1CCC1 ZINC000886623741 592279872 /nfs/dbraw/zinc/27/98/72/592279872.db2.gz MWDNKBQKXDBHBF-DGCLKSJQSA-N 0 3 238.331 0.456 20 0 BCADHN COC(=O)[C@H]1CC[C@H](N[C@H]2COC[C@H]2OC)C1 ZINC000886625646 592281241 /nfs/dbraw/zinc/28/12/41/592281241.db2.gz WMCPPNYUYSXDBS-XWLWVQCSSA-N 0 3 243.303 0.332 20 0 BCADHN COC(=O)[C@@H]1CC[C@H](N[C@@H]2COC[C@H]2OC)C1 ZINC000886630181 592282488 /nfs/dbraw/zinc/28/24/88/592282488.db2.gz WMCPPNYUYSXDBS-LMLFDSFASA-N 0 3 243.303 0.332 20 0 BCADHN CC[C@@H](N)C(=O)NCC(C)(C)SC ZINC000138592007 592291783 /nfs/dbraw/zinc/29/17/83/592291783.db2.gz DOAMPKRASYYDEQ-SSDOTTSWSA-N 0 3 204.339 0.982 20 0 BCADHN CN(C)CCn1c(=O)onc1-c1cccnc1 ZINC000076699294 592318790 /nfs/dbraw/zinc/31/87/90/592318790.db2.gz INEDDYZOVIOADT-UHFFFAOYSA-N 0 3 234.259 0.460 20 0 BCADHN C[C@@H](CO)CN1CC[C@](CO)(C(F)(F)F)C1 ZINC000886808766 592333445 /nfs/dbraw/zinc/33/34/45/592333445.db2.gz PBFQQJSXMRAWPU-BDAKNGLRSA-N 0 3 241.253 0.862 20 0 BCADHN c1n[nH]nc1CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886819730 592341658 /nfs/dbraw/zinc/34/16/58/592341658.db2.gz WAZSXNOCOPHMKB-KOLCDFICSA-N 0 3 222.292 0.806 20 0 BCADHN c1[nH]nnc1CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886819730 592341663 /nfs/dbraw/zinc/34/16/63/592341663.db2.gz WAZSXNOCOPHMKB-KOLCDFICSA-N 0 3 222.292 0.806 20 0 BCADHN c1n[nH]nc1CN1CC[C@H]([C@H]2CCCO2)C1 ZINC000886819729 592342195 /nfs/dbraw/zinc/34/21/95/592342195.db2.gz WAZSXNOCOPHMKB-GXSJLCMTSA-N 0 3 222.292 0.806 20 0 BCADHN c1[nH]nnc1CN1CC[C@H]([C@H]2CCCO2)C1 ZINC000886819729 592342198 /nfs/dbraw/zinc/34/21/98/592342198.db2.gz WAZSXNOCOPHMKB-GXSJLCMTSA-N 0 3 222.292 0.806 20 0 BCADHN O=C(CN1CC[C@@H]([C@H]2CCCO2)C1)NC1CC1 ZINC000886838056 592358270 /nfs/dbraw/zinc/35/82/70/592358270.db2.gz QTMCKOIGNQHMQQ-ZYHUDNBSSA-N 0 3 238.331 0.766 20 0 BCADHN CCNC(=O)CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886837418 592358509 /nfs/dbraw/zinc/35/85/09/592358509.db2.gz GXYYNYWLLDXXJD-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@H]2C[C@@H](OC)C2)C1 ZINC000886848780 592364877 /nfs/dbraw/zinc/36/48/77/592364877.db2.gz OKGPNBQEVPXHMB-GARJFASQSA-N 0 3 242.319 0.842 20 0 BCADHN COC(=O)N[C@H]1CCN(CC[C@@H](O)C(C)C)C1 ZINC000886848612 592364890 /nfs/dbraw/zinc/36/48/90/592364890.db2.gz IUHJMCLYXWLEIF-WDEREUQCSA-N 0 3 244.335 0.824 20 0 BCADHN COC(=O)N[C@H]1CCN([C@H]2CC[C@@H](OC)C2)C1 ZINC000886852427 592366683 /nfs/dbraw/zinc/36/66/83/592366683.db2.gz JPPSHZZBPCBWDQ-GARJFASQSA-N 0 3 242.319 0.984 20 0 BCADHN COC(=O)N[C@H]1CCN([C@H]2CC[C@H](OC)C2)C1 ZINC000886852426 592367279 /nfs/dbraw/zinc/36/72/79/592367279.db2.gz JPPSHZZBPCBWDQ-DCAQKATOSA-N 0 3 242.319 0.984 20 0 BCADHN COC(=O)N[C@H]1CCN([C@@H]2CC[C@H](OC)C2)C1 ZINC000886852425 592367737 /nfs/dbraw/zinc/36/77/37/592367737.db2.gz JPPSHZZBPCBWDQ-AXFHLTTASA-N 0 3 242.319 0.984 20 0 BCADHN CC[C@H](C(=O)N1CCOC[C@@H]1COC)N(C)C ZINC000886856917 592369590 /nfs/dbraw/zinc/36/95/90/592369590.db2.gz IMWFNYAZKNYZIJ-WDEREUQCSA-N 0 3 244.335 0.200 20 0 BCADHN CC[C@@H](C(=O)N1CCOC[C@@H]1COC)N(C)C ZINC000886856916 592369669 /nfs/dbraw/zinc/36/96/69/592369669.db2.gz IMWFNYAZKNYZIJ-QWRGUYRKSA-N 0 3 244.335 0.200 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CO)C1 ZINC000886896085 592390920 /nfs/dbraw/zinc/39/09/20/592390920.db2.gz XGCKKBFIAQGMMK-IJLUTSLNSA-N 0 3 240.347 0.748 20 0 BCADHN COC1CC(NC2COC(C)(C)OC2)C1 ZINC000221273139 592402907 /nfs/dbraw/zinc/40/29/07/592402907.db2.gz UQQUCXMKVLJSHF-UHFFFAOYSA-N 0 3 215.293 0.905 20 0 BCADHN CC[C@H](NCC1(C2(O)CCC2)CCC1)C(N)=O ZINC000886975545 592403156 /nfs/dbraw/zinc/40/31/56/592403156.db2.gz QNHUMLQZLYKPOQ-JTQLQIEISA-N 0 3 240.347 0.925 20 0 BCADHN CC[C@H](C)[C@H](NCCc1cnccn1)C(N)=O ZINC000887054166 592431600 /nfs/dbraw/zinc/43/16/00/592431600.db2.gz RIQZMHMELSWSNF-ONGXEEELSA-N 0 3 236.319 0.509 20 0 BCADHN CCCNC(=S)NC[C@H]1CCCN1C ZINC000139748151 592431653 /nfs/dbraw/zinc/43/16/53/592431653.db2.gz UTKHXRFXEOXUND-SECBINFHSA-N 0 3 215.366 0.955 20 0 BCADHN CCC[C@H](O)CN[C@H](C(N)=O)[C@@H](C)CC ZINC000887055971 592432482 /nfs/dbraw/zinc/43/24/82/592432482.db2.gz UPRUEWMPWNXXCU-GUBZILKMSA-N 0 3 216.325 0.637 20 0 BCADHN CC[C@H](C)[C@H](NCCc1cn[nH]c1)C(N)=O ZINC000887055834 592432923 /nfs/dbraw/zinc/43/29/23/592432923.db2.gz NLPQCIKPKQECFL-WPRPVWTQSA-N 0 3 224.308 0.442 20 0 BCADHN [NH3+]C1CCC([N-]S(=O)(=O)c2ccco2)CC1 ZINC000221745099 592445420 /nfs/dbraw/zinc/44/54/20/592445420.db2.gz KYHCCCHTAUMZAA-UHFFFAOYSA-N 0 3 244.316 0.828 20 0 BCADHN C[N@H+](CCCF)CCCOC([O-])=NC(N)=O ZINC000887141422 592457129 /nfs/dbraw/zinc/45/71/29/592457129.db2.gz SOAYXBADWJIGJF-UHFFFAOYSA-N 0 3 235.259 0.473 20 0 BCADHN C[N@@H+](CCCF)CCCOC([O-])=NC(N)=O ZINC000887141422 592457133 /nfs/dbraw/zinc/45/71/33/592457133.db2.gz SOAYXBADWJIGJF-UHFFFAOYSA-N 0 3 235.259 0.473 20 0 BCADHN C[N@H+](CCCF)CCCOC(=O)N=C(N)[O-] ZINC000887141422 592457138 /nfs/dbraw/zinc/45/71/38/592457138.db2.gz SOAYXBADWJIGJF-UHFFFAOYSA-N 0 3 235.259 0.473 20 0 BCADHN CN(CCCF)[C@@H]1CCCN(C)C1=O ZINC000887141455 592458142 /nfs/dbraw/zinc/45/81/42/592458142.db2.gz UYKSYALCIDIMJW-SECBINFHSA-N 0 3 202.273 0.899 20 0 BCADHN C[C@@H]1CN(C(N)=O)CCN1c1ccncc1 ZINC000887336813 592482183 /nfs/dbraw/zinc/48/21/83/592482183.db2.gz HNXOYWLMDSZHKD-SECBINFHSA-N 0 3 220.276 0.671 20 0 BCADHN COCC[C@H](N)C(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000300022470 592500025 /nfs/dbraw/zinc/50/00/25/592500025.db2.gz VRNVSWUDQNJSLB-GARJFASQSA-N 0 3 244.335 0.234 20 0 BCADHN CC[C@@H](N)c1cn(C[C@](C)(O)C(F)F)nn1 ZINC000887465381 592510852 /nfs/dbraw/zinc/51/08/52/592510852.db2.gz XCGIIZORAJIKLO-MUWHJKNJSA-N 0 3 234.250 0.704 20 0 BCADHN COC[C@H](CNC[C@@H](O)c1ccccc1)OC ZINC000300564168 592515722 /nfs/dbraw/zinc/51/57/22/592515722.db2.gz FFSIXKJQVUTFPV-QWHCGFSZSA-N 0 3 239.315 0.971 20 0 BCADHN CCOC(=O)CCN(C)c1cc(C)nc(N)n1 ZINC000223236585 592521973 /nfs/dbraw/zinc/52/19/73/592521973.db2.gz DZPXWYIIGBNAOX-UHFFFAOYSA-N 0 3 238.291 0.757 20 0 BCADHN CN(CCOCCO)CCC(=O)C(C)(C)C ZINC000300933615 592525150 /nfs/dbraw/zinc/52/51/50/592525150.db2.gz BZVOEUHEMXXRPB-UHFFFAOYSA-N 0 3 231.336 0.932 20 0 BCADHN COC(C)(C)[C@@H](C)NCCS(C)(=O)=O ZINC000301025846 592526721 /nfs/dbraw/zinc/52/67/21/592526721.db2.gz RWMHOAKUZUFEAF-MRVPVSSYSA-N 0 3 223.338 0.434 20 0 BCADHN CC(C)N1CCN(C(=O)[C@H](N)CC2CC2)CC1 ZINC000302638476 592550086 /nfs/dbraw/zinc/55/00/86/592550086.db2.gz FLNVOMMOJCAIAP-GFCCVEGCSA-N 0 3 239.363 0.666 20 0 BCADHN CCS(=O)(=O)CCNC[C@H](C)OC ZINC000224158501 592554086 /nfs/dbraw/zinc/55/40/86/592554086.db2.gz DSPSHPWAMFXTNU-QMMMGPOBSA-N 0 3 209.311 0.046 20 0 BCADHN CN1CCC[C@@H](NC(=O)N[C@]23C[C@H]2COC3)C1 ZINC000887879820 592556881 /nfs/dbraw/zinc/55/68/81/592556881.db2.gz IFAJRJIBALHMTF-UMNHJUIQSA-N 0 3 239.319 0.169 20 0 BCADHN CN1C[C@@H]2CN(C(=O)c3ncccn3)C[C@]2(C)C1 ZINC000887921050 592558859 /nfs/dbraw/zinc/55/88/59/592558859.db2.gz PRFIEQKMFDGNRD-MFKMUULPSA-N 0 3 246.314 0.500 20 0 BCADHN Cn1cnc(C(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)c1 ZINC000887930812 592559932 /nfs/dbraw/zinc/55/99/32/592559932.db2.gz YAUFOFPICPEULC-MFKMUULPSA-N 0 3 248.330 0.444 20 0 BCADHN CN1C[C@@H]2CN(C(=O)C3CC(=O)C3)C[C@]2(C)C1 ZINC000887929501 592559966 /nfs/dbraw/zinc/55/99/66/592559966.db2.gz ZGOJWQMUFLVIHE-MFKMUULPSA-N 0 3 236.315 0.376 20 0 BCADHN COC(=O)[C@@H]1CCN1C(=O)[C@@H](C(C)C)N(C)C ZINC000888055211 592569512 /nfs/dbraw/zinc/56/95/12/592569512.db2.gz ARXAHJZIAHXTHQ-VHSXEESVSA-N 0 3 242.319 0.347 20 0 BCADHN COC(=O)[C@H]1CCN1C(=O)[C@H](C(C)C)N(C)C ZINC000888055212 592569523 /nfs/dbraw/zinc/56/95/23/592569523.db2.gz ARXAHJZIAHXTHQ-ZJUUUORDSA-N 0 3 242.319 0.347 20 0 BCADHN C/C=C/[C@H](O)C(=O)N1CCC12CCN(C)CC2 ZINC000889219839 592589749 /nfs/dbraw/zinc/58/97/49/592589749.db2.gz BFMPKUOUJYOWDI-UFFNRZRYSA-N 0 3 238.331 0.620 20 0 BCADHN C/C=C\[C@@H](O)C(=O)N1CCC12CCN(C)CC2 ZINC000889219837 592589895 /nfs/dbraw/zinc/58/98/95/592589895.db2.gz BFMPKUOUJYOWDI-DLRQAJBASA-N 0 3 238.331 0.620 20 0 BCADHN CO[C@@H]1CC[C@@H]1N(C)C(=O)C(C)S(C)(=O)=O ZINC000889356962 592600286 /nfs/dbraw/zinc/60/02/86/592600286.db2.gz YDFGCWOYYKQDSD-HRDYMLBCSA-N 0 3 249.332 0.055 20 0 BCADHN CCCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889783646 592653682 /nfs/dbraw/zinc/65/36/82/592653682.db2.gz ZQMQVIKFRTZLDO-NWDGAFQWSA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889774339 592653712 /nfs/dbraw/zinc/65/37/12/592653712.db2.gz HJCRQFBTHGNSCP-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN CCCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889783647 592653904 /nfs/dbraw/zinc/65/39/04/592653904.db2.gz ZQMQVIKFRTZLDO-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889774340 592653965 /nfs/dbraw/zinc/65/39/65/592653965.db2.gz HJCRQFBTHGNSCP-VXGBXAGGSA-N 0 3 240.347 0.700 20 0 BCADHN OCC(CO)NCCSC(F)(F)F ZINC000123383738 592714116 /nfs/dbraw/zinc/71/41/16/592714116.db2.gz XZIHTPIDAVZPGA-UHFFFAOYSA-N 0 3 219.228 0.182 20 0 BCADHN COC(OC)C(=O)NCCN1CCC(C)(C)C1 ZINC000890068335 592677421 /nfs/dbraw/zinc/67/74/21/592677421.db2.gz NNLGZPYIEPGTFB-UHFFFAOYSA-N 0 3 244.335 0.453 20 0 BCADHN C[C@@H](N)c1cn(CCO[C@H]2CCCCO2)nn1 ZINC000124321212 592717761 /nfs/dbraw/zinc/71/77/61/592717761.db2.gz DXWWPVLWHBXIQG-KOLCDFICSA-N 0 3 240.307 0.841 20 0 BCADHN C[C@@H](N)c1cn(CC(=O)NCc2ccco2)nn1 ZINC000124309828 592717784 /nfs/dbraw/zinc/71/77/84/592717784.db2.gz PEKMHLPQVHKZKW-MRVPVSSYSA-N 0 3 249.274 0.207 20 0 BCADHN COCC[C@@H](N)C(=O)N1CCSC(C)(C)C1 ZINC000133309885 592740526 /nfs/dbraw/zinc/74/05/26/592740526.db2.gz IVUARFPITAVGEK-SECBINFHSA-N 0 3 246.376 0.704 20 0 BCADHN O=C([O-])[C@H](c1ccccc1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000738524017 600400261 /nfs/dbraw/zinc/40/02/61/600400261.db2.gz GKCZUBOXJGAIBY-UPJWGTAASA-N 0 3 246.310 0.964 20 0 BCADHN O=C([O-])[C@H](c1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000738524019 600400301 /nfs/dbraw/zinc/40/03/01/600400301.db2.gz GKCZUBOXJGAIBY-XQQFMLRXSA-N 0 3 246.310 0.964 20 0 BCADHN CCN(C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)[O-])C1 ZINC000389972990 601040276 /nfs/dbraw/zinc/04/02/76/601040276.db2.gz CZAPSCSCDBDRQZ-NXEZZACHSA-N 0 3 214.309 0.733 20 0 BCADHN CCN(C)C[C@H]1CC[N@H+]([C@H](C)C(=O)[O-])C1 ZINC000389972990 601040279 /nfs/dbraw/zinc/04/02/79/601040279.db2.gz CZAPSCSCDBDRQZ-NXEZZACHSA-N 0 3 214.309 0.733 20 0 BCADHN CCC[N@H+](C)C[C@H]1CCN(CC(=O)[O-])C1 ZINC000379877401 601042381 /nfs/dbraw/zinc/04/23/81/601042381.db2.gz AUWOEJJIKHXKDG-SNVBAGLBSA-N 0 3 214.309 0.735 20 0 BCADHN CCC[N@@H+](C)C[C@H]1CCN(CC(=O)[O-])C1 ZINC000379877401 601042383 /nfs/dbraw/zinc/04/23/83/601042383.db2.gz AUWOEJJIKHXKDG-SNVBAGLBSA-N 0 3 214.309 0.735 20 0 BCADHN c1cc(-c2nnn[n-]2)ccc1C[NH2+][C@@H]1CCOC1 ZINC000095146488 606720902 /nfs/dbraw/zinc/72/09/02/606720902.db2.gz TWSOUJPEUXMYII-LLVKDONJSA-N 0 3 245.286 0.745 20 0 BCADHN c1cc(-c2nn[n-]n2)ccc1C[NH2+][C@@H]1CCOC1 ZINC000095146488 606720903 /nfs/dbraw/zinc/72/09/03/606720903.db2.gz TWSOUJPEUXMYII-LLVKDONJSA-N 0 3 245.286 0.745 20 0 BCADHN C[C@@H]([NH2+]CCCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000095247778 608465913 /nfs/dbraw/zinc/46/59/13/608465913.db2.gz ROEINMIHOSWSKP-SECBINFHSA-N 0 3 247.302 0.900 20 0 BCADHN C[C@@H]([NH2+]CCCO)c1ccc(-c2nnn[n-]2)cc1 ZINC000095247778 608465911 /nfs/dbraw/zinc/46/59/11/608465911.db2.gz ROEINMIHOSWSKP-SECBINFHSA-N 0 3 247.302 0.900 20 0 BCADHN C[C@H]([NH2+]CCCO)c1ccc(-c2nnn[n-]2)cc1 ZINC000095247777 608465974 /nfs/dbraw/zinc/46/59/74/608465974.db2.gz ROEINMIHOSWSKP-VIFPVBQESA-N 0 3 247.302 0.900 20 0 BCADHN C[C@H]([NH2+]CCCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000095247777 608465976 /nfs/dbraw/zinc/46/59/76/608465976.db2.gz ROEINMIHOSWSKP-VIFPVBQESA-N 0 3 247.302 0.900 20 0 BCADHN C[C@H]1CN(c2ccnc(CO)c2)C[C@H](CO)O1 ZINC000299962101 634402918 /nfs/dbraw/zinc/40/29/18/634402918.db2.gz KWEODPQSFUJWJT-JOYOIKCWSA-N 0 3 238.287 0.160 20 0 BCADHN C[C@@H](NCc1c[nH]cn1)[C@@H]1CN(C)CCO1 ZINC000124857365 634435956 /nfs/dbraw/zinc/43/59/56/634435956.db2.gz XZYFCWRRQSYRKE-KOLCDFICSA-N 0 3 224.308 0.218 20 0 BCADHN COc1c(CN[C@H](C)[C@@H](C)O)c(C)nn1C ZINC000336657319 635201302 /nfs/dbraw/zinc/20/13/02/635201302.db2.gz AWFGZZDJJSGYTN-VXNVDRBHSA-N 0 3 227.308 0.596 20 0 BCADHN Cn1ccc(NCCNc2ccncc2CO)n1 ZINC000893535358 634579805 /nfs/dbraw/zinc/57/98/05/634579805.db2.gz NCALWSOUKGWXKV-UHFFFAOYSA-N 0 3 247.302 0.253 20 0 BCADHN COC[C@H](C)N1CC[C@H](NC(=O)C2CC2)C1 ZINC001009841704 634600692 /nfs/dbraw/zinc/60/06/92/634600692.db2.gz MURAYOCTQWGMGU-ONGXEEELSA-N 0 3 226.320 0.622 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(C[C@@H]3CCCO3)C[C@@H]21 ZINC000261332820 635391803 /nfs/dbraw/zinc/39/18/03/635391803.db2.gz WQNFENHDAOCYKQ-UKKRHICBSA-N 0 3 225.288 0.516 20 0 BCADHN C[C@@H](CO)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000095245193 635436799 /nfs/dbraw/zinc/43/67/99/635436799.db2.gz KHFKKJSRJRYRKZ-IUCAKERBSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@@H](CO)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000095245193 635436803 /nfs/dbraw/zinc/43/68/03/635436803.db2.gz KHFKKJSRJRYRKZ-IUCAKERBSA-N 0 3 247.302 0.898 20 0 BCADHN CC(C)CCN1CCCN(C(=O)C(N)=O)CC1 ZINC000981865058 635413749 /nfs/dbraw/zinc/41/37/49/635413749.db2.gz MHGKUMNWAUPGQU-UHFFFAOYSA-N 0 3 241.335 0.052 20 0 BCADHN COCC[C@H](N)C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000226407664 635433989 /nfs/dbraw/zinc/43/39/89/635433989.db2.gz QBMIXJRKEVRJSS-DCAQKATOSA-N 0 3 228.336 0.997 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@@H]1C[C@H](O)C1(C)C ZINC000232800693 635515715 /nfs/dbraw/zinc/51/57/15/635515715.db2.gz YUBVWIVCCZCMMD-ZJUUUORDSA-N 0 3 249.376 0.559 20 0 BCADHN O=C(c1nc[nH]n1)N1CCCN(CC2CC2)CC1 ZINC000982284872 635532937 /nfs/dbraw/zinc/53/29/37/635532937.db2.gz HTDDSCLVQSTDRJ-UHFFFAOYSA-N 0 3 249.318 0.363 20 0 BCADHN C1C[C@@H]2SCCS[C@@H]2[C@H]1N[C@@H]1CNOC1 ZINC000925867655 635571871 /nfs/dbraw/zinc/57/18/71/635571871.db2.gz OUHZVDDXQKFALH-XFWSIPNHSA-N 0 3 246.401 0.859 20 0 BCADHN Cn1cnc(CNCCCN2CCOCC2)c1 ZINC000236130176 635596677 /nfs/dbraw/zinc/59/66/77/635596677.db2.gz CWRPSUGNANDNNL-UHFFFAOYSA-N 0 3 238.335 0.232 20 0 BCADHN COC[C@@H]1COCCN1C[C@@H]1CCO[C@@H]1C ZINC000933327156 631259997 /nfs/dbraw/zinc/25/99/97/631259997.db2.gz KVISYNYVHDCIJK-GRYCIOLGSA-N 0 3 229.320 0.759 20 0 BCADHN Cn1cc(CN2CC[C@@H](C(N)=O)C2)c(C2CC2)n1 ZINC000891440948 631287747 /nfs/dbraw/zinc/28/77/47/631287747.db2.gz QDLAHYMZLVZZGL-SNVBAGLBSA-N 0 3 248.330 0.605 20 0 BCADHN CCN(CC(OC)OC)[C@@H]1CCOC1 ZINC000308528051 631326557 /nfs/dbraw/zinc/32/65/57/631326557.db2.gz PUFRXRLNUDVONW-SECBINFHSA-N 0 3 203.282 0.716 20 0 BCADHN C[S@@](=O)CCNCc1ccc(F)nc1 ZINC000308755295 631361882 /nfs/dbraw/zinc/36/18/82/631361882.db2.gz WDYLKNOIRZUKDW-CQSZACIVSA-N 0 3 216.281 0.689 20 0 BCADHN C[C@H](O)COC(=O)C1CCCN(C2CC2)C1=O ZINC000924052303 631417652 /nfs/dbraw/zinc/41/76/52/631417652.db2.gz CWRXLIJRMJWNKB-WCBMZHEXSA-N 0 3 241.287 0.311 20 0 BCADHN OCC(CO)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000083695312 631427513 /nfs/dbraw/zinc/42/75/13/631427513.db2.gz DSAKAOOIWHSXJV-LLVKDONJSA-N 0 3 245.706 0.316 20 0 BCADHN CC[C@H](CNCCS(=O)(=O)CC)OC ZINC000308585097 631434043 /nfs/dbraw/zinc/43/40/43/631434043.db2.gz RKRWODVWQQOISW-SECBINFHSA-N 0 3 223.338 0.436 20 0 BCADHN CCNC(=O)CN[C@H](C)COC(C)C ZINC000308620192 631446509 /nfs/dbraw/zinc/44/65/09/631446509.db2.gz STWQZJCJZQUVTC-SECBINFHSA-N 0 3 202.298 0.526 20 0 BCADHN C[C@@H](CC[S@@](C)=O)NCc1c[nH]cn1 ZINC000131280704 631477123 /nfs/dbraw/zinc/47/71/23/631477123.db2.gz DUWAWDFREKDIQO-RTHLEPHNSA-N 0 3 215.322 0.656 20 0 BCADHN CCN(CCC(=O)NC)Cc1cnn(C)c1C ZINC000933867415 631535649 /nfs/dbraw/zinc/53/56/49/631535649.db2.gz JXMGOMNEOKKLLK-UHFFFAOYSA-N 0 3 238.335 0.687 20 0 BCADHN c1cn(CCN2CCC[C@@H]2C2OCCO2)cn1 ZINC000933899722 631548547 /nfs/dbraw/zinc/54/85/47/631548547.db2.gz DQVCZFGWSLXHDH-LLVKDONJSA-N 0 3 237.303 0.720 20 0 BCADHN CC[C@H](CO)C(=O)N[C@H]1CCCN(C)C1 ZINC000258668441 631577288 /nfs/dbraw/zinc/57/72/88/631577288.db2.gz CEUMVYVFKJBYLN-ZJUUUORDSA-N 0 3 214.309 0.215 20 0 BCADHN CCOC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]1CO ZINC000934013230 631592185 /nfs/dbraw/zinc/59/21/85/631592185.db2.gz FEWJDPDUPDGSPN-IVZWLZJFSA-N 0 3 213.277 0.252 20 0 BCADHN CC(C)CC[C@@H](O)CN1CC[C@@H]1CO ZINC000934014064 631594162 /nfs/dbraw/zinc/59/41/62/631594162.db2.gz KEJLOCQRSASJCD-GHMZBOCLSA-N 0 3 201.310 0.850 20 0 BCADHN O=C(CCN1CC[C@@H]1CO)Nc1cccnc1 ZINC000934015103 631606693 /nfs/dbraw/zinc/60/66/93/631606693.db2.gz SLCAHCXBRLMNSL-LLVKDONJSA-N 0 3 235.287 0.477 20 0 BCADHN OCc1ccc(CN2CC[C@H]2CO)cc1 ZINC000934016552 631615316 /nfs/dbraw/zinc/61/53/16/631615316.db2.gz NDEQFBRPKADLRI-LBPRGKRZSA-N 0 3 207.273 0.746 20 0 BCADHN OC[C@@H]1CCN1C[C@@H](O)Cc1ccc(F)cc1 ZINC000934019915 631619771 /nfs/dbraw/zinc/61/97/71/631619771.db2.gz SRWJAPNYZMARMB-STQMWFEESA-N 0 3 239.290 0.796 20 0 BCADHN CCN(C#N)CCN[C@@H]1COCC[C@H]1OC ZINC000934034732 631635879 /nfs/dbraw/zinc/63/58/79/631635879.db2.gz GNGMFYZXWDZQCJ-GHMZBOCLSA-N 0 3 227.308 0.183 20 0 BCADHN CO[C@@H]1CCOC[C@H]1N[C@H]1CCCN(C)C1=O ZINC000934038826 631636565 /nfs/dbraw/zinc/63/65/65/631636565.db2.gz GULJLMZSMGILDG-HBNTYKKESA-N 0 3 242.319 0.001 20 0 BCADHN COCC[C@H](N)C(=O)N[C@H]1C[C@@H](OC)C1(C)C ZINC000234668964 631659421 /nfs/dbraw/zinc/65/94/21/631659421.db2.gz HUJXTCQULVGKGB-LPEHRKFASA-N 0 3 244.335 0.280 20 0 BCADHN CCNC(=O)CCN[C@@H](C)c1cn[nH]c1 ZINC000308811417 631666218 /nfs/dbraw/zinc/66/62/18/631666218.db2.gz QKTQIXBKWYNDJP-QMMMGPOBSA-N 0 3 210.281 0.587 20 0 BCADHN Cc1nccn1CCNCc1c[nH]cn1 ZINC000308818405 631673895 /nfs/dbraw/zinc/67/38/95/631673895.db2.gz PVNNEMZJEMDXHL-UHFFFAOYSA-N 0 3 205.265 0.704 20 0 BCADHN CN(C(=O)[C@H]1CNCCN1C)C1CCCCC1 ZINC000258953042 631688684 /nfs/dbraw/zinc/68/86/84/631688684.db2.gz NGFMSHJMEKEECO-GFCCVEGCSA-N 0 3 239.363 0.681 20 0 BCADHN Cn1cnc(CN[C@H](CCO)C2CC2)c1 ZINC000308874960 631709339 /nfs/dbraw/zinc/70/93/39/631709339.db2.gz MTSLPFCUYWTYFX-LLVKDONJSA-N 0 3 209.293 0.671 20 0 BCADHN O=C1CCN(Cc2c[nH]cn2)CCCCCN1 ZINC000934153633 631710527 /nfs/dbraw/zinc/71/05/27/631710527.db2.gz ITUVCSZGFOQUFZ-UHFFFAOYSA-N 0 3 236.319 0.902 20 0 BCADHN CC[C@H](C)[C@H](NCc1cnc[nH]1)C(N)=O ZINC000308906783 631723050 /nfs/dbraw/zinc/72/30/50/631723050.db2.gz CSRHRTZKUDQMPH-CBAPKCEASA-N 0 3 210.281 0.399 20 0 BCADHN Cn1nncc1CNC1CC(C(F)F)C1 ZINC000308925611 631746152 /nfs/dbraw/zinc/74/61/52/631746152.db2.gz KJADXMICHRVJDZ-UHFFFAOYSA-N 0 3 216.235 0.948 20 0 BCADHN COC(=O)CC(C)(C)NCc1c[nH]cn1 ZINC000308966134 631771639 /nfs/dbraw/zinc/77/16/39/631771639.db2.gz VTTWUDYGSDQEHW-UHFFFAOYSA-N 0 3 211.265 0.841 20 0 BCADHN COC(=O)CC(C)(C)NCc1cnc[nH]1 ZINC000308966134 631771640 /nfs/dbraw/zinc/77/16/40/631771640.db2.gz VTTWUDYGSDQEHW-UHFFFAOYSA-N 0 3 211.265 0.841 20 0 BCADHN C[C@@]1(C2CC2)COCCN1CCc1c[nH]nn1 ZINC000934480339 631873161 /nfs/dbraw/zinc/87/31/61/631873161.db2.gz XURAARWAUAZIET-LBPRGKRZSA-N 0 3 236.319 0.848 20 0 BCADHN CON(C)C(=O)CN[C@@]1(C)CCO[C@H]1C ZINC000309084461 631874300 /nfs/dbraw/zinc/87/43/00/631874300.db2.gz VKKNXFYIYWVEIT-WPRPVWTQSA-N 0 3 216.281 0.163 20 0 BCADHN Cc1cc(N2C[C@@H](C)[C@H](O)C2)nc(N)n1 ZINC000308829833 631884703 /nfs/dbraw/zinc/88/47/03/631884703.db2.gz JAVOZBWYFMTMDG-HTRCEHHLSA-N 0 3 208.265 0.184 20 0 BCADHN C[C@@H](NCc1cnn(C)n1)[C@H]1CCOC1 ZINC000309108907 631889091 /nfs/dbraw/zinc/88/90/91/631889091.db2.gz IYMZZSXKXSISHF-BDAKNGLRSA-N 0 3 210.281 0.330 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N(Cc2ccccn2)C1=O ZINC000924430013 631901922 /nfs/dbraw/zinc/90/19/22/631901922.db2.gz FTCULARSMSHOIB-JTQLQIEISA-N 0 3 248.286 0.064 20 0 BCADHN CCC[C@@H](C)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924431647 631918082 /nfs/dbraw/zinc/91/80/82/631918082.db2.gz CTJKZRPATPIEHW-BDAKNGLRSA-N 0 3 227.308 0.657 20 0 BCADHN O[C@@H]1CCN(C[C@@H]2C[C@@]23CCOC3)C[C@H]1F ZINC000934569166 631939701 /nfs/dbraw/zinc/93/97/01/631939701.db2.gz XMQQKYGMLLOQDJ-IRCOFANPSA-N 0 3 229.295 0.818 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NC[C@@H]1CCCO1 ZINC000308857494 631963102 /nfs/dbraw/zinc/96/31/02/631963102.db2.gz OMENEALLBRMEOC-UWVGGRQHSA-N 0 3 212.293 0.409 20 0 BCADHN COc1cc([C@H](C)NCCN(C)C)on1 ZINC000926421161 631965158 /nfs/dbraw/zinc/96/51/58/631965158.db2.gz OWIRVPCHAKPNLX-QMMMGPOBSA-N 0 3 213.281 0.895 20 0 BCADHN CCOC(=O)[C@@H](C)NC(=O)[C@H](N)CC(F)F ZINC000309211278 631970737 /nfs/dbraw/zinc/97/07/37/631970737.db2.gz SGUOGAKNQFAEEQ-PHDIDXHHSA-N 0 3 238.234 0.037 20 0 BCADHN Cc1cc(N(C)[C@@H](C)C[S@@](C)=O)nc(N)n1 ZINC000309240078 631974709 /nfs/dbraw/zinc/97/47/09/631974709.db2.gz ALGYIAZQPXCJEG-ZKANADHPSA-N 0 3 242.348 0.570 20 0 BCADHN CCCN(CCC1OCCCO1)CC(=O)NC ZINC000091465811 632019080 /nfs/dbraw/zinc/01/90/80/632019080.db2.gz VNVZEGSJQFPWLI-UHFFFAOYSA-N 0 3 244.335 0.598 20 0 BCADHN C[C@@H](NCCCn1cncn1)c1ncc[nH]1 ZINC000309409440 632049789 /nfs/dbraw/zinc/04/97/89/632049789.db2.gz IJPKWTMFADHDJY-SECBINFHSA-N 0 3 220.280 0.742 20 0 BCADHN C[C@]12CSC[C@H]1CN(CC(=O)N1CCC1)C2 ZINC000934774597 632068221 /nfs/dbraw/zinc/06/82/21/632068221.db2.gz FAWCJSOAAVGSRI-PWSUYJOCSA-N 0 3 240.372 0.904 20 0 BCADHN CNC1(C(=O)Nc2ccn(C)n2)CCC1 ZINC000308883107 632077747 /nfs/dbraw/zinc/07/77/47/632077747.db2.gz WBGWSFHESFTKFY-UHFFFAOYSA-N 0 3 208.265 0.501 20 0 BCADHN CCCNC(=O)CN[C@@H]1COC[C@H]1CC ZINC000829421322 632112722 /nfs/dbraw/zinc/11/27/22/632112722.db2.gz TWEBNPPQOKQVMN-NXEZZACHSA-N 0 3 214.309 0.527 20 0 BCADHN CC[C@@H]1COC[C@@H]1NCC(=O)NC(C)C ZINC000829418997 632112856 /nfs/dbraw/zinc/11/28/56/632112856.db2.gz GSECWCXERTWIJJ-ZJUUUORDSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@@H](NCC1CCOCC1)c1cnn(C)n1 ZINC000924881393 635707598 /nfs/dbraw/zinc/70/75/98/635707598.db2.gz LFTIXSQRQRJXNV-SECBINFHSA-N 0 3 224.308 0.892 20 0 BCADHN CC(C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252893475 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/nfs/dbraw/zinc/46/30/06/632463006.db2.gz ARTHQJPKPQHHFO-VIFPVBQESA-N 0 3 214.309 0.655 20 0 BCADHN Fc1ccc(CNC[C@H]2COCCO2)cn1 ZINC000309543237 632481598 /nfs/dbraw/zinc/48/15/98/632481598.db2.gz YVBIDAHGVXHFSE-JTQLQIEISA-N 0 3 226.251 0.726 20 0 BCADHN COCC[C@H](N)C(=O)Nc1ccccc1OC ZINC000052790721 632489077 /nfs/dbraw/zinc/48/90/77/632489077.db2.gz BYSGCQXUTGSMEE-VIFPVBQESA-N 0 3 238.287 0.998 20 0 BCADHN CCCN(CC1CC1)C(=O)[C@H](N)CCOC ZINC000052791627 632490332 /nfs/dbraw/zinc/49/03/32/632490332.db2.gz OPTPKAXNKLQMIY-LLVKDONJSA-N 0 3 228.336 0.999 20 0 BCADHN CCC1CCN(C(=O)[C@@H](N)CCOC)CC1 ZINC000052809007 632497091 /nfs/dbraw/zinc/49/70/91/632497091.db2.gz DHDJLKXFZLPLGM-NSHDSACASA-N 0 3 228.336 0.999 20 0 BCADHN COCC[C@@H](N)C(=O)NC[C@@H]1CCCCO1 ZINC000052810199 632498307 /nfs/dbraw/zinc/49/83/07/632498307.db2.gz INRHZENCDBAXKO-VHSXEESVSA-N 0 3 230.308 0.036 20 0 BCADHN COCC[C@H](N)C(=O)N(CCOC)CC(C)C ZINC000052808609 632499270 /nfs/dbraw/zinc/49/92/70/632499270.db2.gz 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235.335 0.968 20 0 BCADHN CC1(C)CN(CCO)C[C@H]1NC(=O)CC1CC1 ZINC000972748992 632656900 /nfs/dbraw/zinc/65/69/00/632656900.db2.gz XHUVTKZEPUSNAG-LLVKDONJSA-N 0 3 240.347 0.605 20 0 BCADHN Cn1cnc(CN[C@H]2CCN(C3CC3)C2)c1 ZINC000309739357 632662468 /nfs/dbraw/zinc/66/24/68/632662468.db2.gz HHVYEENOLVCIHR-JTQLQIEISA-N 0 3 220.320 0.746 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H]1CCCCNC1=O ZINC000309734398 632663208 /nfs/dbraw/zinc/66/32/08/632663208.db2.gz GAXFAWOSFQFMAW-WPRPVWTQSA-N 0 3 228.292 0.196 20 0 BCADHN CC(C)C(=O)N[C@@H]1CN(C[C@@H](C)O)CC1(C)C ZINC000972820899 632682598 /nfs/dbraw/zinc/68/25/98/632682598.db2.gz HAVNVUKCAPUSOS-GHMZBOCLSA-N 0 3 242.363 0.850 20 0 BCADHN COCCOc1ccc(CNCCCO)o1 ZINC000892426637 632684373 /nfs/dbraw/zinc/68/43/73/632684373.db2.gz JCKOGTDCMYERKF-UHFFFAOYSA-N 0 3 229.276 0.777 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)CC1CC1)c1cnn(C)c1 ZINC000310162874 632705780 /nfs/dbraw/zinc/70/57/80/632705780.db2.gz MBRQITMDFSIRKQ-KWQFWETISA-N 0 3 236.319 0.725 20 0 BCADHN 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MRZQCLUGQCBNPF-GFCCVEGCSA-N 0 3 248.330 0.743 20 0 BCADHN CC(=O)N1CC[C@@H](CNCc2cnc(C)o2)C1 ZINC001026630096 634267589 /nfs/dbraw/zinc/26/75/89/634267589.db2.gz HHVGLYSRXMQZHW-NSHDSACASA-N 0 3 237.303 0.941 20 0 BCADHN CN(C[C@H]1CCC=CO1)CC(C)(CO)CO ZINC000193978508 634300258 /nfs/dbraw/zinc/30/02/58/634300258.db2.gz MIKNACOYUBTNIP-LLVKDONJSA-N 0 3 229.320 0.602 20 0 BCADHN O=C(N[C@@H]1CCN(CCCF)C1)[C@@H]1CCCO1 ZINC001010053026 635176173 /nfs/dbraw/zinc/17/61/73/635176173.db2.gz DKOBXBXUZSKWJU-MNOVXSKESA-N 0 3 244.310 0.716 20 0 BCADHN COC(=O)CC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000258831920 635210339 /nfs/dbraw/zinc/21/03/39/635210339.db2.gz CHIYFWSXCHNTKU-SECBINFHSA-N 0 3 228.292 0.102 20 0 BCADHN COc1ccccc1CCN(C)C[C@H](O)CO ZINC000259075379 635240079 /nfs/dbraw/zinc/24/00/79/635240079.db2.gz QWXKDIZYOSZDIV-LBPRGKRZSA-N 0 3 239.315 0.523 20 0 BCADHN CC(C)=CC(=O)N1CCCN(C[C@@H](C)O)CC1 ZINC000980661730 635252677 /nfs/dbraw/zinc/25/26/77/635252677.db2.gz KFZQYXDNLDQNLX-GFCCVEGCSA-N 0 3 240.347 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CCCN(C)CC(=O)NC/C=C(/C)C(=O)OC ZINC000927986113 635794188 /nfs/dbraw/zinc/79/41/88/635794188.db2.gz NGMDRCSJSUNTFN-POHAHGRESA-N 0 3 242.319 0.564 20 0 BCADHN CCCN(C)CC(=O)NC/C=C(\C)C(=O)OC ZINC000927986114 635794217 /nfs/dbraw/zinc/79/42/17/635794217.db2.gz NGMDRCSJSUNTFN-UXBLZVDNSA-N 0 3 242.319 0.564 20 0 BCADHN CC/C(C)=C/C(=O)NC[C@@H]1C[C@@H](O)CN1C ZINC000924976980 635820504 /nfs/dbraw/zinc/82/05/04/635820504.db2.gz AVIAGEKCNAIECU-WJHWTWHCSA-N 0 3 226.320 0.524 20 0 BCADHN C[C@H]1[C@@H](NC(=O)CNc2ccccn2)CCN1C ZINC000928431245 635914723 /nfs/dbraw/zinc/91/47/23/635914723.db2.gz MFYXUDLXCUTUPI-QWRGUYRKSA-N 0 3 248.330 0.702 20 0 BCADHN Cc1nc(C)c(C(=O)N[C@H]2CCN(C)[C@H]2C)[nH]1 ZINC000928436135 635931387 /nfs/dbraw/zinc/93/13/87/635931387.db2.gz UNXJVMHTLODJLJ-WPRPVWTQSA-N 0 3 236.319 0.849 20 0 BCADHN COc1cccc(C(=O)N[C@H]2CCN(C)[C@@H]2C)n1 ZINC000928442200 635945999 /nfs/dbraw/zinc/94/59/99/635945999.db2.gz RNPXWGKSAADMCE-ZJUUUORDSA-N 0 3 249.314 0.913 20 0 BCADHN COC[C@H](C)CN1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000895118584 636066421 /nfs/dbraw/zinc/06/64/21/636066421.db2.gz LBMYPEAFZRXOHF-VPOLOUISSA-N 0 3 228.336 0.866 20 0 BCADHN Cc1cc(CN[C@@H]2CCOC[C@H]2O)cnc1F ZINC000895640954 636171219 /nfs/dbraw/zinc/17/12/19/636171219.db2.gz PGPUPNWVFBCPBT-GHMZBOCLSA-N 0 3 240.278 0.769 20 0 BCADHN CO[C@@H]1CCOC[C@H]1Nc1ccnc(CO)c1 ZINC000897120072 636269827 /nfs/dbraw/zinc/26/98/27/636269827.db2.gz NEAXHUGLHQJWPM-VXGBXAGGSA-N 0 3 238.287 0.790 20 0 BCADHN CNCC(=O)Nc1ccnn1CC1CC1 ZINC000237288443 636305249 /nfs/dbraw/zinc/30/52/49/636305249.db2.gz HRMQOYYQTFZGGO-UHFFFAOYSA-N 0 3 208.265 0.451 20 0 BCADHN CCN1CC(=O)N(C2CCN(CC)CC2)C1=O ZINC000348691059 636401404 /nfs/dbraw/zinc/40/14/04/636401404.db2.gz CFHFABTZYLCUIY-UHFFFAOYSA-N 0 3 239.319 0.755 20 0 BCADHN CCC(=O)N1CC[C@@H](NCCF)[C@@H]1C ZINC000985841317 636428784 /nfs/dbraw/zinc/42/87/84/636428784.db2.gz ZDOXGLFPSNMUAH-DTWKUNHWSA-N 0 3 202.273 0.945 20 0 BCADHN CN1CCC(NC(=S)NCC(F)F)CC1 ZINC000751898774 636429169 /nfs/dbraw/zinc/42/91/69/636429169.db2.gz NLFDTMMBXHTHTP-UHFFFAOYSA-N 0 3 237.319 0.810 20 0 BCADHN C[C@H]1[C@H](NCCF)CCN1C(=O)C1CC1 ZINC000985850059 636431583 /nfs/dbraw/zinc/43/15/83/636431583.db2.gz SVVMNZDVVVZWKQ-WCBMZHEXSA-N 0 3 214.284 0.945 20 0 BCADHN CSCC(=O)N1CC[C@H](NCCF)[C@H]1C ZINC000985945421 636455801 /nfs/dbraw/zinc/45/58/01/636455801.db2.gz VMLLYHCGDTXYIS-BDAKNGLRSA-N 0 3 234.340 0.898 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1COC[C@@H]1C ZINC000928891920 636458646 /nfs/dbraw/zinc/45/86/46/636458646.db2.gz GQEPDUPBUHWOHG-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@@H]1[C@@H](NCCF)CCN1C(=O)c1cc[nH]n1 ZINC000986001880 636465685 /nfs/dbraw/zinc/46/56/85/636465685.db2.gz DDYFAARCJIWLDX-BDAKNGLRSA-N 0 3 240.282 0.572 20 0 BCADHN C[C@H]1[C@@H](NCCF)CCN1C(=O)c1ccon1 ZINC000986023285 636469414 /nfs/dbraw/zinc/46/94/14/636469414.db2.gz QKWLPWDSDLVOKV-IUCAKERBSA-N 0 3 241.266 0.837 20 0 BCADHN C[C@@H]1COC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC000928908248 636494937 /nfs/dbraw/zinc/49/49/37/636494937.db2.gz XMONJFKVGDAICK-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1[C@@H](NCCF)CCN1C(=O)c1cnco1 ZINC000986617296 636581513 /nfs/dbraw/zinc/58/15/13/636581513.db2.gz LWQDYCLMZXRIJW-IUCAKERBSA-N 0 3 241.266 0.837 20 0 BCADHN CCn1ncc(CNC(=O)CN(C)C(C)C)n1 ZINC000862383491 636624340 /nfs/dbraw/zinc/62/43/40/636624340.db2.gz AASSKIHKQSMJMH-UHFFFAOYSA-N 0 3 239.323 0.254 20 0 BCADHN C[C@H]1[C@@H](NCCF)CCN1C(=O)c1cnon1 ZINC000987206137 636641056 /nfs/dbraw/zinc/64/10/56/636641056.db2.gz MBQKQUZHRVOTOU-YUMQZZPRSA-N 0 3 242.254 0.232 20 0 BCADHN CC(=O)N1C[C@@H](NCc2cncn2C)C[C@@H]1C ZINC000987630235 636657303 /nfs/dbraw/zinc/65/73/03/636657303.db2.gz BTQPJFYFQQJSJM-ONGXEEELSA-N 0 3 236.319 0.519 20 0 BCADHN CC(C)CC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC000987836316 636670667 /nfs/dbraw/zinc/67/06/67/636670667.db2.gz SFOSDKAOVGTBLH-ZJUUUORDSA-N 0 3 241.335 0.097 20 0 BCADHN CSCC(=O)N1C[C@@H](NCCF)C[C@@H]1C ZINC000987978352 636674103 /nfs/dbraw/zinc/67/41/03/636674103.db2.gz ZSAPIPUUFBSKBU-IUCAKERBSA-N 0 3 234.340 0.898 20 0 BCADHN C[C@@H]1C[C@H](NCCF)CN1C(=O)c1ccon1 ZINC000988229751 636684915 /nfs/dbraw/zinc/68/49/15/636684915.db2.gz RUXZBIHMBFNXDC-BDAKNGLRSA-N 0 3 241.266 0.837 20 0 BCADHN CN1CCC[C@@H](N2C(=O)NC3(CCC3)C2=O)C1 ZINC000925293051 636742124 /nfs/dbraw/zinc/74/21/24/636742124.db2.gz PCJJJFDGEHLAFS-SECBINFHSA-N 0 3 237.303 0.555 20 0 BCADHN CN1CCC[C@H]1CN1C(=O)N[C@@H](CCF)C1=O ZINC000925294195 636748011 /nfs/dbraw/zinc/74/80/11/636748011.db2.gz SVGHNDXXEMZTEW-IUCAKERBSA-N 0 3 243.282 0.361 20 0 BCADHN CN1CCC[C@H](N2C(=O)N[C@@H](C3CC3)C2=O)C1 ZINC000925294666 636749450 /nfs/dbraw/zinc/74/94/50/636749450.db2.gz UUJYYFSKRJHNEJ-UWVGGRQHSA-N 0 3 237.303 0.411 20 0 BCADHN C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](O)C2)CCN1C ZINC000925305643 636808463 /nfs/dbraw/zinc/80/84/63/636808463.db2.gz DHBBTWILVKTWDR-GMTAPVOTSA-N 0 3 241.335 0.245 20 0 BCADHN CCn1cc(CN[C@H]2CCC[C@@H]2CCO)nn1 ZINC000897648705 636831637 /nfs/dbraw/zinc/83/16/37/636831637.db2.gz FCEAUVNOELAJKO-PWSUYJOCSA-N 0 3 238.335 0.939 20 0 BCADHN C[C@H]1[C@H](NC(=O)N2CCCOCC2)CCN1C ZINC000925317952 636831918 /nfs/dbraw/zinc/83/19/18/636831918.db2.gz SMSXPOJDZHWBBS-WDEREUQCSA-N 0 3 241.335 0.511 20 0 BCADHN CO[C@@H]1CCOC[C@H]1N[C@H](C)COC(C)=O ZINC000897888417 636845305 /nfs/dbraw/zinc/84/53/05/636845305.db2.gz AIBWNTKUOOURRR-FBIMIBRVSA-N 0 3 231.292 0.332 20 0 BCADHN C[C@H]1[C@@H](NC(=O)N(C)CC(F)F)CCN1C ZINC000925321212 636859128 /nfs/dbraw/zinc/85/91/28/636859128.db2.gz JQKKTYMFXQYKRF-YUMQZZPRSA-N 0 3 235.278 0.986 20 0 BCADHN C[C@@H]1[C@H](NC(=O)N(C)CC(F)F)CCN1C ZINC000925321203 636859988 /nfs/dbraw/zinc/85/99/88/636859988.db2.gz JQKKTYMFXQYKRF-HTQZYQBOSA-N 0 3 235.278 0.986 20 0 BCADHN C[C@H]1[C@@H](NC(=O)N2CCO[C@H](C)C2)CCN1C ZINC000925324250 636872961 /nfs/dbraw/zinc/87/29/61/636872961.db2.gz YMOUJOXRWOOHMV-VWYCJHECSA-N 0 3 241.335 0.509 20 0 BCADHN C[C@@H]1[C@H](NC(=O)NCCCF)CCN1C ZINC000925330136 636928436 /nfs/dbraw/zinc/92/84/36/636928436.db2.gz RHFQQHFJVSOAKV-RKDXNWHRSA-N 0 3 217.288 0.738 20 0 BCADHN C[C@H](O)C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925332892 636933775 /nfs/dbraw/zinc/93/37/75/636933775.db2.gz RKMJMYVFVONECE-UKKRHICBSA-N 0 3 243.351 0.538 20 0 BCADHN C[C@H](O)C[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925332890 636933838 /nfs/dbraw/zinc/93/38/38/636933838.db2.gz RKMJMYVFVONECE-MMWGEVLESA-N 0 3 243.351 0.538 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N(C[C@H]2CC2(C)C)C1=O ZINC000924630716 636947765 /nfs/dbraw/zinc/94/77/65/636947765.db2.gz ALCMRXIFJRFDAN-BDAKNGLRSA-N 0 3 239.319 0.515 20 0 BCADHN C[C@@H]1C[C@@H](N[C@@H]2CCCN(C)C2)c2ncnn21 ZINC000924743142 637062412 /nfs/dbraw/zinc/06/24/12/637062412.db2.gz OXDHJMWOYWPOAA-GMTAPVOTSA-N 0 3 235.335 0.968 20 0 BCADHN CN(C)c1noc(-c2ccc3c(n2)CNCC3)n1 ZINC000900004028 637165572 /nfs/dbraw/zinc/16/55/72/637165572.db2.gz GIRMIDBKRJOEFR-UHFFFAOYSA-N 0 3 245.286 0.843 20 0 BCADHN COCCN1CCC(NC(=O)CCF)CC1 ZINC000900383058 637183561 /nfs/dbraw/zinc/18/35/61/637183561.db2.gz NFYQATNRMQCKQM-UHFFFAOYSA-N 0 3 232.299 0.573 20 0 BCADHN CCn1cc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)c(C)n1 ZINC000902646396 637318879 /nfs/dbraw/zinc/31/88/79/637318879.db2.gz MQHHMRDKRBRSHZ-ZSBIGDGJSA-N 0 3 239.319 0.185 20 0 BCADHN COC(=O)N1CC(N[C@@H]2CCC[C@H]2OC)C1 ZINC000903125159 637343876 /nfs/dbraw/zinc/34/38/76/637343876.db2.gz KNJNBOLHBIKYFI-NXEZZACHSA-N 0 3 228.292 0.594 20 0 BCADHN COC(=O)N1CC(N[C@@H]2CCC[C@@H]2OC)C1 ZINC000903125164 637344884 /nfs/dbraw/zinc/34/48/84/637344884.db2.gz KNJNBOLHBIKYFI-ZJUUUORDSA-N 0 3 228.292 0.594 20 0 BCADHN C[C@@H]1C[NH2+]C[C@H]1C[N-]S(=O)(=O)c1ccco1 ZINC000903533946 637368450 /nfs/dbraw/zinc/36/84/50/637368450.db2.gz ABAUINWNGVVOPH-BDAKNGLRSA-N 0 3 244.316 0.413 20 0 BCADHN COC(=O)c1coc(CNCCCON)c1 ZINC000904456689 637418432 /nfs/dbraw/zinc/41/84/32/637418432.db2.gz KPIYGZWWVDQFEC-UHFFFAOYSA-N 0 3 228.248 0.436 20 0 BCADHN C[C@](O)(C(=O)N1CC[C@@H](F)[C@H](N)C1)C1CCC1 ZINC000904938952 637535034 /nfs/dbraw/zinc/53/50/34/637535034.db2.gz LRDRNXOLDPRBCT-CKYFFXLPSA-N 0 3 244.310 0.435 20 0 BCADHN CCN(CC)CCNC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000905018989 637551533 /nfs/dbraw/zinc/55/15/33/637551533.db2.gz QWSIGLQYBATYEO-ZMLRMANQSA-N 0 3 238.331 0.670 20 0 BCADHN Cc1n[nH]cc1CNC[C@H](O)C1(O)CCCC1 ZINC000905040553 637560109 /nfs/dbraw/zinc/56/01/09/637560109.db2.gz NMPJWIKIRMHRKP-NSHDSACASA-N 0 3 239.319 0.474 20 0 BCADHN C[C@H](N)c1cn([C@@H]2C(=O)OCC2(C)C)nn1 ZINC000905064573 637597516 /nfs/dbraw/zinc/59/75/16/637597516.db2.gz KKYSHKAMLHTHTF-POYBYMJQSA-N 0 3 224.264 0.422 20 0 BCADHN C[C@H](N)c1cn([C@H]2C(=O)OCC2(C)C)nn1 ZINC000905064575 637599043 /nfs/dbraw/zinc/59/90/43/637599043.db2.gz KKYSHKAMLHTHTF-XPUUQOCRSA-N 0 3 224.264 0.422 20 0 BCADHN Cc1cc(CNC[C@](C)(O)C(F)F)n[nH]1 ZINC000905116775 637621915 /nfs/dbraw/zinc/62/19/15/637621915.db2.gz IGOPTXRWWIIKGR-VIFPVBQESA-N 0 3 219.235 0.824 20 0 BCADHN Cc1cc(CNC[C@@H](O)C2(O)CCC2)n[nH]1 ZINC000905119169 637624143 /nfs/dbraw/zinc/62/41/43/637624143.db2.gz XGAXOZHHXKAJQS-SNVBAGLBSA-N 0 3 225.292 0.084 20 0 BCADHN Cc1cc(CNC[C@@H](O)C2(O)CCC2)[nH]n1 ZINC000905119169 637624146 /nfs/dbraw/zinc/62/41/46/637624146.db2.gz XGAXOZHHXKAJQS-SNVBAGLBSA-N 0 3 225.292 0.084 20 0 BCADHN COC[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000905149320 637658801 /nfs/dbraw/zinc/65/88/01/637658801.db2.gz PUKLBGGKEVNCFC-IVZWLZJFSA-N 0 3 229.324 0.413 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)NCc2ccncc2)CCN1C ZINC000905150070 637659267 /nfs/dbraw/zinc/65/92/67/637659267.db2.gz WAWUEQJGUBQWQH-PWSUYJOCSA-N 0 3 248.330 0.973 20 0 BCADHN COC[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000905149317 637660767 /nfs/dbraw/zinc/66/07/67/637660767.db2.gz PUKLBGGKEVNCFC-AEJSXWLSSA-N 0 3 229.324 0.413 20 0 BCADHN CC[C@](O)(CN[C@@H](CO)COC)C(F)(F)F ZINC000905353195 637773459 /nfs/dbraw/zinc/77/34/59/637773459.db2.gz HQVWADLKSPVREM-YUMQZZPRSA-N 0 3 245.241 0.287 20 0 BCADHN CC[C@](O)(CN[C@H](CO)[C@@H](C)O)C(F)(F)F ZINC000905342412 637781885 /nfs/dbraw/zinc/78/18/85/637781885.db2.gz BNUAKUKBUBOGGM-PRJMDXOYSA-N 0 3 245.241 0.021 20 0 BCADHN CC[C@@](O)(CN[C@H](CO)[C@@H](C)O)C(F)(F)F ZINC000905342411 637782428 /nfs/dbraw/zinc/78/24/28/637782428.db2.gz BNUAKUKBUBOGGM-BWZBUEFSSA-N 0 3 245.241 0.021 20 0 BCADHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCCN1CCCC1 ZINC000905386034 637785838 /nfs/dbraw/zinc/78/58/38/637785838.db2.gz ZBEYPLCVTSCBGI-IJLUTSLNSA-N 0 3 240.347 0.869 20 0 BCADHN Cc1cccc([C@@H](O)CN[C@@H]2COC[C@H]2O)c1 ZINC000905373233 637791393 /nfs/dbraw/zinc/79/13/93/637791393.db2.gz PGQALZKVJYHDPD-FRRDWIJNSA-N 0 3 237.299 0.378 20 0 BCADHN CCOCCNC(=S)N[C@H]1CCN(C)[C@@H]1C ZINC000905647294 637882337 /nfs/dbraw/zinc/88/23/37/637882337.db2.gz CKLIRRLURDRIKI-ZJUUUORDSA-N 0 3 245.392 0.580 20 0 BCADHN O[C@@H](CNC/C=C\Cl)C1(O)CCC1 ZINC000905708546 637892037 /nfs/dbraw/zinc/89/20/37/637892037.db2.gz QOKMADBZQWCGNR-YAPUSRSVSA-N 0 3 205.685 0.604 20 0 BCADHN O[C@@H](CNC/C=C/Cl)C1(O)CCCC1 ZINC000905707905 637892420 /nfs/dbraw/zinc/89/24/20/637892420.db2.gz LSODZMWWEJNTGP-SWTNXBIASA-N 0 3 219.712 0.995 20 0 BCADHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)CO ZINC000905730504 637900592 /nfs/dbraw/zinc/90/05/92/637900592.db2.gz YPJNWNLBQBWKGK-LBPRGKRZSA-N 0 3 248.326 0.888 20 0 BCADHN CON1CC[C@@H](N[C@H](C)Cn2cccn2)C1=O ZINC000905758967 637915213 /nfs/dbraw/zinc/91/52/13/637915213.db2.gz GEPXYINKFFAHLH-NXEZZACHSA-N 0 3 238.291 0.024 20 0 BCADHN O[C@@H](CNCc1cccnc1)C1(O)CCCC1 ZINC000905871913 637956317 /nfs/dbraw/zinc/95/63/17/637956317.db2.gz ZVLRXUFOQXQVDF-LBPRGKRZSA-N 0 3 236.315 0.837 20 0 BCADHN Cn1cc(CNC[C@H](O)C2(O)CCCC2)cn1 ZINC000905928238 637977229 /nfs/dbraw/zinc/97/72/29/637977229.db2.gz YYTBIYCFRGOJHY-NSHDSACASA-N 0 3 239.319 0.176 20 0 BCADHN C[C@@H]1CCN1C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000905971422 637986316 /nfs/dbraw/zinc/98/63/16/637986316.db2.gz BHNLMAAGAVEQGN-USWWRNFRSA-N 0 3 213.321 0.993 20 0 BCADHN COCC1CN(C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000905973245 637988619 /nfs/dbraw/zinc/98/86/19/637988619.db2.gz VUMVEJZTTNMMHV-OLZOCXBDSA-N 0 3 243.347 0.477 20 0 BCADHN COCC1CN(C[C@@H](O)CC(C)(C)O)C1 ZINC000905973754 637988853 /nfs/dbraw/zinc/98/88/53/637988853.db2.gz XOWJNSFJAZDETF-JTQLQIEISA-N 0 3 217.309 0.087 20 0 BCADHN C[C@@H]1CCN1C[C@@H](O)CC1(O)CCOCC1 ZINC000905975201 637991602 /nfs/dbraw/zinc/99/16/02/637991602.db2.gz PNWZARBTEATGCU-MNOVXSKESA-N 0 3 229.320 0.373 20 0 BCADHN COC[C@H]1CCN1C[C@@H](O)C1(O)CCCC1 ZINC000905955446 638004174 /nfs/dbraw/zinc/00/41/74/638004174.db2.gz FOUGEPZLBFNEKJ-GHMZBOCLSA-N 0 3 229.320 0.373 20 0 BCADHN CN(C)Cc1cccc(NC(=O)CCC(N)=O)c1 ZINC000906085646 638045641 /nfs/dbraw/zinc/04/56/41/638045641.db2.gz XSTUSSFVHXHAIO-UHFFFAOYSA-N 0 3 249.314 0.952 20 0 BCADHN CC(C)N(C)CCNC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000906682353 638232003 /nfs/dbraw/zinc/23/20/03/638232003.db2.gz MZLFKPQOSAYCLH-ZMLRMANQSA-N 0 3 238.331 0.668 20 0 BCADHN C[C@H](C(=O)NC[C@H]1CCCN1C)c1cnccn1 ZINC000906676612 638232501 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/nfs/dbraw/zinc/34/36/29/644343629.db2.gz NEFDELDNMZMGRF-NXEZZACHSA-N 0 3 249.318 0.368 20 0 BCADHN C[C@H]1[C@H](NC(=O)NCc2ncccn2)CCN1C ZINC000923314901 644343732 /nfs/dbraw/zinc/34/37/32/644343732.db2.gz NEFDELDNMZMGRF-VHSXEESVSA-N 0 3 249.318 0.368 20 0 BCADHN CCCN(CC)C(=O)C[C@@H]1CNCCO1 ZINC000085619081 644442397 /nfs/dbraw/zinc/44/23/97/644442397.db2.gz IJEJNHMTIFBFGC-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CC(C)(C)NCc1cn(CCCCO)nn1 ZINC000085273496 644438425 /nfs/dbraw/zinc/43/84/25/644438425.db2.gz PCICPZGDYONDBO-UHFFFAOYSA-N 0 3 226.324 0.939 20 0 BCADHN C[C@@H]1C[C@@H]1c1noc(C[C@@H]2CNCCO2)n1 ZINC000085617406 644443352 /nfs/dbraw/zinc/44/33/52/644443352.db2.gz LXMKZRIATNICNR-HLTSFMKQSA-N 0 3 223.276 0.724 20 0 BCADHN COCC[C@@H](N)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000086013884 644456319 /nfs/dbraw/zinc/45/63/19/644456319.db2.gz OICKQJLCNYMVLY-KXUCPTDWSA-N 0 3 214.309 0.465 20 0 BCADHN CCO[N-]C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000087222378 644482746 /nfs/dbraw/zinc/48/27/46/644482746.db2.gz MTPWDHVKWGXESM-BDAKNGLRSA-N 0 3 200.282 0.962 20 0 BCADHN C[C@@H]1CN(C(=O)N[C@@H]2CCOC2)[C@@H](C)CN1 ZINC000087314045 644486967 /nfs/dbraw/zinc/48/69/67/644486967.db2.gz WNGIHFYDSJDFGO-KXUCPTDWSA-N 0 3 227.308 0.167 20 0 BCADHN COC(CN1CCC(C)(O)CC1)OC ZINC000088022811 644506239 /nfs/dbraw/zinc/50/62/39/644506239.db2.gz YYGWPKVGKGXHRW-UHFFFAOYSA-N 0 3 203.282 0.452 20 0 BCADHN O=S(=O)(C1CNC1)N(C1CC1)C1CCCC1 ZINC000923587351 644515600 /nfs/dbraw/zinc/51/56/00/644515600.db2.gz AQQQMPYOOFTWIU-UHFFFAOYSA-N 0 3 244.360 0.695 20 0 BCADHN C[N@H+](Cc1ccccc1[O-])CC1(CO)COC1 ZINC000089126321 644536941 /nfs/dbraw/zinc/53/69/41/644536941.db2.gz FLMRZIMNUQPZTC-UHFFFAOYSA-N 0 3 237.299 0.833 20 0 BCADHN C[N@@H+](Cc1ccccc1[O-])CC1(CO)COC1 ZINC000089126321 644536943 /nfs/dbraw/zinc/53/69/43/644536943.db2.gz FLMRZIMNUQPZTC-UHFFFAOYSA-N 0 3 237.299 0.833 20 0 BCADHN Cc1nnc(CCN2CCC[C@](C)(O)C2)o1 ZINC000930147387 644548308 /nfs/dbraw/zinc/54/83/08/644548308.db2.gz QJXJDSWDWFINSN-NSHDSACASA-N 0 3 225.292 0.767 20 0 BCADHN O=C1OCCN1CCN1CCCSCC1 ZINC000089980012 644574487 /nfs/dbraw/zinc/57/44/87/644574487.db2.gz HROVFNKMRRFRCE-UHFFFAOYSA-N 0 3 230.333 0.878 20 0 BCADHN CN(C)C1(C(=O)NCc2ccon2)CCC1 ZINC000763060858 644654866 /nfs/dbraw/zinc/65/48/66/644654866.db2.gz BADUPAODWCACEZ-UHFFFAOYSA-N 0 3 223.276 0.775 20 0 BCADHN C[C@H](NC(=O)C1([NH+](C)C)CCC1)c1nnc[n-]1 ZINC000763056621 644654903 /nfs/dbraw/zinc/65/49/03/644654903.db2.gz LNGLVQBZTGUHON-QMMMGPOBSA-N 0 3 237.307 0.466 20 0 BCADHN Cc1nc[nH]c1CNC(=O)C1(N(C)C)CCC1 ZINC000763058693 644655560 /nfs/dbraw/zinc/65/55/60/644655560.db2.gz QOLGIBJDAKSZHU-UHFFFAOYSA-N 0 3 236.319 0.819 20 0 BCADHN CC(C)[NH2+]C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000095209056 644744669 /nfs/dbraw/zinc/74/46/69/644744669.db2.gz VEINFFKIUKEILG-LLVKDONJSA-N 0 3 247.302 0.898 20 0 BCADHN CC(C)[NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000095209056 644744676 /nfs/dbraw/zinc/74/46/76/644744676.db2.gz VEINFFKIUKEILG-LLVKDONJSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@H](CNC(=O)c1cnn(C)n1)N1CCCC1 ZINC000786108204 644772664 /nfs/dbraw/zinc/77/26/64/644772664.db2.gz ZVJBNMWOBIBXBE-SECBINFHSA-N 0 3 237.307 0.029 20 0 BCADHN Cc1ccccc1CN(C)C[C@H](O)CO ZINC000096464976 644815406 /nfs/dbraw/zinc/81/54/06/644815406.db2.gz QPCYSWBSGYFYFP-LBPRGKRZSA-N 0 3 209.289 0.780 20 0 BCADHN Cc1ccccc1CN(C)C[C@@H](O)CO ZINC000096464978 644815529 /nfs/dbraw/zinc/81/55/29/644815529.db2.gz QPCYSWBSGYFYFP-GFCCVEGCSA-N 0 3 209.289 0.780 20 0 BCADHN COc1ccc([O-])c(-c2nc(CC[NH3+])no2)c1 ZINC000843128192 644854139 /nfs/dbraw/zinc/85/41/39/644854139.db2.gz CWCPXOYRJTWCHT-UHFFFAOYSA-N 0 3 235.243 0.952 20 0 BCADHN CC(C)=CC(=O)N(CCO)C1CCN(C)CC1 ZINC000304205273 644875677 /nfs/dbraw/zinc/87/56/77/644875677.db2.gz ZQKWFGPLHIKHMO-UHFFFAOYSA-N 0 3 240.347 0.868 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](N)CC2CC2)no1 ZINC000304295962 644887544 /nfs/dbraw/zinc/88/75/44/644887544.db2.gz AEWDCPVNKBORNL-JTQLQIEISA-N 0 3 223.276 0.727 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000304303151 644889688 /nfs/dbraw/zinc/88/96/88/644889688.db2.gz BNSPQVGPOFKVST-GHMZBOCLSA-N 0 3 226.320 0.751 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H](CN)OC)C1 ZINC000304317347 644890219 /nfs/dbraw/zinc/89/02/19/644890219.db2.gz FFDDMDXJCFOQEQ-MXWKQRLJSA-N 0 3 228.336 0.997 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)[C@H](N)CC1CC1 ZINC000304361162 644896945 /nfs/dbraw/zinc/89/69/45/644896945.db2.gz MQKMZBFBDWWSJO-GHMZBOCLSA-N 0 3 228.336 0.637 20 0 BCADHN COC[C@H](NC(=O)[C@H](N)CC1CC1)C(C)C ZINC000304377537 644898120 /nfs/dbraw/zinc/89/81/20/644898120.db2.gz PXWQIAOVZAQVJI-MNOVXSKESA-N 0 3 228.336 0.901 20 0 BCADHN CCn1ccc(NC(=O)[C@H](N)CC2CC2)n1 ZINC000304382973 644898245 /nfs/dbraw/zinc/89/82/45/644898245.db2.gz RCRCDEKLMROKSL-SECBINFHSA-N 0 3 222.292 0.969 20 0 BCADHN COC[C@H](NC(=O)[C@@H](N)CC1CC1)C(C)C ZINC000304377541 644898722 /nfs/dbraw/zinc/89/87/22/644898722.db2.gz PXWQIAOVZAQVJI-QWRGUYRKSA-N 0 3 228.336 0.901 20 0 BCADHN CC(C)C[C@H](O)CNC(=O)[C@H](N)CC1CC1 ZINC000304389170 644900785 /nfs/dbraw/zinc/90/07/85/644900785.db2.gz SMWAPKQYCFESDE-WDEREUQCSA-N 0 3 228.336 0.637 20 0 BCADHN Cn1ncc(CNCCN2CCCCC2)n1 ZINC000304406400 644903228 /nfs/dbraw/zinc/90/32/28/644903228.db2.gz XDCUAGYZFYSTHP-UHFFFAOYSA-N 0 3 223.324 0.391 20 0 BCADHN COCCNCc1cccc(S(N)(=O)=O)c1 ZINC000304526591 644913250 /nfs/dbraw/zinc/91/32/50/644913250.db2.gz AXYZKDFTIDWVAJ-UHFFFAOYSA-N 0 3 244.316 0.070 20 0 BCADHN CON(C)C(=O)CCNCc1cc(C)n[nH]1 ZINC000819065018 645003512 /nfs/dbraw/zinc/00/35/12/645003512.db2.gz JJRSCUKFRUWLBS-UHFFFAOYSA-N 0 3 226.280 0.218 20 0 BCADHN CON(C)C(=O)CCNCc1cc(C)[nH]n1 ZINC000819065018 645003518 /nfs/dbraw/zinc/00/35/18/645003518.db2.gz JJRSCUKFRUWLBS-UHFFFAOYSA-N 0 3 226.280 0.218 20 0 BCADHN COC[C@H](O)CNC[C@H](OC)C(F)(F)F ZINC000819069334 645005419 /nfs/dbraw/zinc/00/54/19/645005419.db2.gz OKVLFZCWLCKEGK-RQJHMYQMSA-N 0 3 231.214 0.161 20 0 BCADHN C/C=C(/C)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000840455412 645032666 /nfs/dbraw/zinc/03/26/66/645032666.db2.gz ZXZHJQLBJLQVAM-LCKPPEIMSA-N 0 3 240.347 0.916 20 0 BCADHN CCn1nc(C)c(CN[C@@H]2CN(C)C[C@@H]2C)n1 ZINC000823989750 645052840 /nfs/dbraw/zinc/05/28/40/645052840.db2.gz CIAOYQXBKNAZCR-JOYOIKCWSA-N 0 3 237.351 0.646 20 0 BCADHN Cc1ccc(CN(C)CC2CN(C)C2)nn1 ZINC000827124380 645074455 /nfs/dbraw/zinc/07/44/55/645074455.db2.gz AYYKYYOHZMLMNS-UHFFFAOYSA-N 0 3 220.320 0.778 20 0 BCADHN Cc1nccn1CCCN(C)CC[S@](C)=O ZINC000828087444 645095380 /nfs/dbraw/zinc/09/53/80/645095380.db2.gz DJNXGGMZJKCZSY-INIZCTEOSA-N 0 3 243.376 0.892 20 0 BCADHN Cc1cc(N[C@@H]2CC[C@H](C(N)=O)C2)nc(N)n1 ZINC000829497394 645108684 /nfs/dbraw/zinc/10/86/84/645108684.db2.gz KIKOQNOQROTPAN-JGVFFNPUSA-N 0 3 235.291 0.433 20 0 BCADHN C[C@H]1[C@@H](C)N(CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC000841689114 645223580 /nfs/dbraw/zinc/22/35/80/645223580.db2.gz ICGRDGAPXDUWRR-OPRDCNLKSA-N 0 3 239.319 0.814 20 0 BCADHN C[C@@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1cn(C)cn1 ZINC000926553952 645276161 /nfs/dbraw/zinc/27/61/61/645276161.db2.gz NOUUNMOJXLLYOS-KXUCPTDWSA-N 0 3 236.319 0.725 20 0 BCADHN Nc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])c([O-])c1 ZINC000843321848 645281375 /nfs/dbraw/zinc/28/13/75/645281375.db2.gz MXPGMUMEBYWZDO-JTQLQIEISA-N 0 3 249.314 0.928 20 0 BCADHN Cc1cnc(CCN[C@@H]2C(=O)NCC2(C)C)cn1 ZINC000926559358 645281621 /nfs/dbraw/zinc/28/16/21/645281621.db2.gz MYNPVRNJXGDZAX-LLVKDONJSA-N 0 3 248.330 0.442 20 0 BCADHN C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(N)cc1[O-] ZINC000843508673 645293397 /nfs/dbraw/zinc/29/33/97/645293397.db2.gz UIPRNFYMDPYKHN-SFYZADRCSA-N 0 3 237.303 0.830 20 0 BCADHN C[C@@H](NCC1(N(C)C)CC1)c1cnn(C)n1 ZINC000926601598 645309332 /nfs/dbraw/zinc/30/93/32/645309332.db2.gz SAZRDHRVSORGGR-SECBINFHSA-N 0 3 223.324 0.560 20 0 BCADHN C[C@H](NCC1(N(C)C)CC1)c1cnn(C)n1 ZINC000926601599 645310137 /nfs/dbraw/zinc/31/01/37/645310137.db2.gz SAZRDHRVSORGGR-VIFPVBQESA-N 0 3 223.324 0.560 20 0 BCADHN COC1(OC)CC[C@H]1N[C@@H]1CC[C@H]1O ZINC000926612738 645314508 /nfs/dbraw/zinc/31/45/08/645314508.db2.gz ANVPVRZJTNEOKF-IWSPIJDZSA-N 0 3 201.266 0.251 20 0 BCADHN CO[C@@](C)(CO)CN[C@@H](C)c1ccnnc1 ZINC000926662949 645336509 /nfs/dbraw/zinc/33/65/09/645336509.db2.gz OZCWZJOWQQRHBN-GXSJLCMTSA-N 0 3 225.292 0.525 20 0 BCADHN CON(C)CCN[C@H](C)c1ccnnc1 ZINC000926678592 645349168 /nfs/dbraw/zinc/34/91/68/645349168.db2.gz OPLTXZZEENMDIV-SECBINFHSA-N 0 3 210.281 0.620 20 0 BCADHN O=CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000105971949 645372689 /nfs/dbraw/zinc/37/26/89/645372689.db2.gz HDJZNHWVIRLZEQ-NSHDSACASA-N 0 3 212.293 0.330 20 0 BCADHN C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)c1cnnn1C ZINC000926713479 645375606 /nfs/dbraw/zinc/37/56/06/645375606.db2.gz KLCZRSQBAQPOLY-JMJZKYOTSA-N 0 3 236.319 0.769 20 0 BCADHN CCCN1CC[C@@H](N[C@@H](C)c2cnn(C)n2)C1 ZINC000926717104 645380749 /nfs/dbraw/zinc/38/07/49/645380749.db2.gz ZOETYKBZAUWPGC-WDEREUQCSA-N 0 3 237.351 0.950 20 0 BCADHN CCOC1CC(NCC(=O)N(C)OCC)C1 ZINC000846066508 645396298 /nfs/dbraw/zinc/39/62/98/645396298.db2.gz YWWVITDSGYQZDT-UHFFFAOYSA-N 0 3 230.308 0.553 20 0 BCADHN CCn1nncc1CN[C@@H]1CO[C@@H](C)[C@H]1C ZINC000926742343 645398551 /nfs/dbraw/zinc/39/85/51/645398551.db2.gz XEVVGMAGUSGVRR-WCABBAIRSA-N 0 3 224.308 0.811 20 0 BCADHN CCCN1CCC([NH2+]CC(=O)[N-]OCC)CC1 ZINC000846092301 645401654 /nfs/dbraw/zinc/40/16/54/645401654.db2.gz CBQHGUZKDDOSFH-UHFFFAOYSA-N 0 3 243.351 0.518 20 0 BCADHN C[C@H](NCC[C@@H](O)C(F)F)c1cnnn1C ZINC000926782715 645420435 /nfs/dbraw/zinc/42/04/35/645420435.db2.gz HRVCKOHFDMAPAJ-POYBYMJQSA-N 0 3 234.250 0.482 20 0 BCADHN CONC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000847354584 645428509 /nfs/dbraw/zinc/42/85/09/645428509.db2.gz CPXIAENXNAAOGX-UWVGGRQHSA-N 0 3 227.308 0.864 20 0 BCADHN C[C@H](N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cnnn1C ZINC000926787396 645432974 /nfs/dbraw/zinc/43/29/74/645432974.db2.gz XDTVLVOZXXPBMD-FABMZRAQSA-N 0 3 248.330 0.889 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1NCCc1ccns1 ZINC000926843984 645454315 /nfs/dbraw/zinc/45/43/15/645454315.db2.gz YJGDYOZXBBLFCF-VIFPVBQESA-N 0 3 239.344 0.800 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NCCOC1CC1 ZINC000926882743 645474669 /nfs/dbraw/zinc/47/46/69/645474669.db2.gz DFOLHFMAUFVZMK-SECBINFHSA-N 0 3 212.293 0.280 20 0 BCADHN CC(C)OCCN1CC[C@H](N2CCOC2=O)C1 ZINC000852429950 645479361 /nfs/dbraw/zinc/47/93/61/645479361.db2.gz CKGKVHJIBWVFAB-NSHDSACASA-N 0 3 242.319 0.938 20 0 BCADHN C[C@H](NC[C@H]1CCN1C)c1cnnn1C ZINC000926895391 645480228 /nfs/dbraw/zinc/48/02/28/645480228.db2.gz WBCPWYIIZKBLIY-DTWKUNHWSA-N 0 3 209.297 0.170 20 0 BCADHN C[C@@H]1CCOCCN1CCO[C@H]1CCOC1 ZINC000930236054 645480347 /nfs/dbraw/zinc/48/03/47/645480347.db2.gz SWRCXULXLAHCIG-NEPJUHHUSA-N 0 3 229.320 0.903 20 0 BCADHN CCOCCOCCN[C@@H]1CCC1(OC)OC ZINC000927086817 645543033 /nfs/dbraw/zinc/54/30/33/645543033.db2.gz NESBHNWUFLYOHQ-LLVKDONJSA-N 0 3 247.335 0.781 20 0 BCADHN Cc1ccccc1N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000927217465 645589623 /nfs/dbraw/zinc/58/96/23/645589623.db2.gz WSVWCABHVAEZEZ-JTQLQIEISA-N 0 3 247.298 0.981 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)c1cccc[n+]1[O-] ZINC000857541951 645605914 /nfs/dbraw/zinc/60/59/14/645605914.db2.gz BJTPITYHRXSDFX-NSHDSACASA-N 0 3 249.314 0.486 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)c1ccnnc1 ZINC000857542733 645608509 /nfs/dbraw/zinc/60/85/09/645608509.db2.gz XGJPYOOYNOFFPT-NSHDSACASA-N 0 3 234.303 0.643 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)c1ccnnc1 ZINC000857542732 645609565 /nfs/dbraw/zinc/60/95/65/645609565.db2.gz XGJPYOOYNOFFPT-LLVKDONJSA-N 0 3 234.303 0.643 20 0 BCADHN Cc1ccnn1CC(=O)N[C@H]1CCCN(C)C1 ZINC000859232058 645678587 /nfs/dbraw/zinc/67/85/87/645678587.db2.gz FDCZTNHVTSBKTN-NSHDSACASA-N 0 3 236.319 0.402 20 0 BCADHN CC(C)N(C)CC(=O)NC1CC(CC(N)=O)C1 ZINC000928050110 645693223 /nfs/dbraw/zinc/69/32/23/645693223.db2.gz URQNLARDRVRMDG-UHFFFAOYSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCN1C ZINC000928424553 645736853 /nfs/dbraw/zinc/73/68/53/645736853.db2.gz DVCSIFKIISLKQC-WPRPVWTQSA-N 0 3 222.292 0.161 20 0 BCADHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928423828 645737000 /nfs/dbraw/zinc/73/70/00/645737000.db2.gz BVBKFZSRNORCQU-LDMBFOFVSA-N 0 3 240.347 0.866 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCN1C ZINC000928424550 645737694 /nfs/dbraw/zinc/73/76/94/645737694.db2.gz DVCSIFKIISLKQC-SCZZXKLOSA-N 0 3 222.292 0.161 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2coc(CO)c2)CCN1C ZINC000928429069 645739795 /nfs/dbraw/zinc/73/97/95/645739795.db2.gz AYKIIROHAGXFSK-KCJUWKMLSA-N 0 3 238.287 0.594 20 0 BCADHN CCC/C=C/[C@H](O)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928426852 645742795 /nfs/dbraw/zinc/74/27/95/645742795.db2.gz PEADHSUFQUYANH-IRFHGECPSA-N 0 3 240.347 0.912 20 0 BCADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928429705 645749912 /nfs/dbraw/zinc/74/99/12/645749912.db2.gz DAQHJNWYGINZBL-JGVFFNPUSA-N 0 3 238.291 0.246 20 0 BCADHN C[C@H]1CCC[C@H](C)N(S(=O)(=O)C2CNC2)C1 ZINC000923620727 645753599 /nfs/dbraw/zinc/75/35/99/645753599.db2.gz YJJNIIRNUXBIJX-UWVGGRQHSA-N 0 3 246.376 0.799 20 0 BCADHN COCC1(C(=O)N[C@H]2CCN(C)[C@@H]2C)CC1 ZINC000928436017 645758666 /nfs/dbraw/zinc/75/86/66/645758666.db2.gz IFHCYPKTZMJFCO-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2cnc[nH]2)CCN1C ZINC000928449569 645759556 /nfs/dbraw/zinc/75/95/56/645759556.db2.gz QNQIEKOHMZNOKO-YUMQZZPRSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cc[nH]c2)CCN1C ZINC000928437270 645759805 /nfs/dbraw/zinc/75/98/05/645759805.db2.gz BTYOCQJVGFVPNB-PSASIEDQSA-N 0 3 207.277 0.837 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cnn1 ZINC000928441328 645762280 /nfs/dbraw/zinc/76/22/80/645762280.db2.gz MZEOIKZDWJFNQP-MWLCHTKSSA-N 0 3 234.303 0.607 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@](C)(O)C2CC2)CCN1C ZINC000928439478 645763631 /nfs/dbraw/zinc/76/36/31/645763631.db2.gz WTBBGDVHHDGSNX-UBHAPETDSA-N 0 3 226.320 0.356 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)C2CCC(O)CC2)CCN1C ZINC000928445324 645767751 /nfs/dbraw/zinc/76/77/51/645767751.db2.gz YEGWSBOHRXSMLZ-YYJSSNLHSA-N 0 3 240.347 0.746 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226.320 0.358 20 0 BCADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CC2CCC2)C1 ZINC001076841174 711809587 /nfs/dbraw/zinc/80/95/87/711809587.db2.gz RIRVCOPHPDQMNH-VXGBXAGGSA-N 0 3 240.347 0.746 20 0 BCADHN COC[C@H](CNCc1ncnn1C)C(C)C ZINC000721725440 711829882 /nfs/dbraw/zinc/82/98/82/711829882.db2.gz LOMPPAXLYMRGQE-JTQLQIEISA-N 0 3 226.324 0.823 20 0 BCADHN CCCCCNC(=O)[C@@H](N)CN(C)C ZINC000702369570 711869510 /nfs/dbraw/zinc/86/95/10/711869510.db2.gz JZWZWAZVNKHGEU-VIFPVBQESA-N 0 3 201.314 0.182 20 0 BCADHN C[S@@](=O)CCN1CCC[C@H](CO)C1 ZINC000388365586 711871051 /nfs/dbraw/zinc/87/10/51/711871051.db2.gz VIJQMPFPDNYCAP-TVQRCGJNSA-N 0 3 205.323 0.069 20 0 BCADHN CCN(CC)C(=O)CNC(=O)[C@H](N)CC1CC1 ZINC000382509291 711919319 /nfs/dbraw/zinc/91/93/19/711919319.db2.gz XNMOFXOTOVLMHD-SNVBAGLBSA-N 0 3 241.335 0.098 20 0 BCADHN CCCCOC(=O)CCN1CCN(C)CC1 ZINC000060474341 711930968 /nfs/dbraw/zinc/93/09/68/711930968.db2.gz WKFHCRQWPMEQJY-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN COCCN1CC[C@H](N(C)C(=O)CC2CC2)C1 ZINC001032859929 711964068 /nfs/dbraw/zinc/96/40/68/711964068.db2.gz ARSNZUSRSSENCB-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)C2CCC2)C1 ZINC001032852815 711964182 /nfs/dbraw/zinc/96/41/82/711964182.db2.gz MWKRXKBIIXIZJS-PWSUYJOCSA-N 0 3 240.347 0.700 20 0 BCADHN COCC[C@@H](CO)NCc1cncc(OC)c1 ZINC000700017005 711982258 /nfs/dbraw/zinc/98/22/58/711982258.db2.gz KGMFULIJSSSKJF-NSHDSACASA-N 0 3 240.303 0.577 20 0 BCADHN COCCOCCNCc1cncc(OC)c1 ZINC000700017006 711982375 /nfs/dbraw/zinc/98/23/75/711982375.db2.gz KGUWKORNKMMACL-UHFFFAOYSA-N 0 3 240.303 0.843 20 0 BCADHN COC[C@@H](CCO)NCc1cncc(OC)c1 ZINC000700019013 711982710 /nfs/dbraw/zinc/98/27/10/711982710.db2.gz UIBVLSRNFZLTFD-LLVKDONJSA-N 0 3 240.303 0.577 20 0 BCADHN C[C@H](O)CN1CC[C@H](N(C)C(=O)C(C)(C)C)C1 ZINC001033603241 712007475 /nfs/dbraw/zinc/00/74/75/712007475.db2.gz JOKFZPGDFJQQKA-QWRGUYRKSA-N 0 3 242.363 0.946 20 0 BCADHN CCN(C(=O)C1CC1)[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001033718477 712016559 /nfs/dbraw/zinc/01/65/59/712016559.db2.gz IILUAGQHUPCKCL-ZYHUDNBSSA-N 0 3 240.347 0.700 20 0 BCADHN CC1CCC(N(C)C(=O)[C@@H](N)CN(C)C)CC1 ZINC000702343303 712045483 /nfs/dbraw/zinc/04/54/83/712045483.db2.gz WMMRQJSSQYXBMF-MCIGGMRASA-N 0 3 241.379 0.912 20 0 BCADHN CC[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000702342431 712046045 /nfs/dbraw/zinc/04/60/45/712046045.db2.gz PPNFUUNNCIFJBF-NEPJUHHUSA-N 0 3 241.379 0.914 20 0 BCADHN C[C@@H](N(C)C(=O)[C@@H](N)CN(C)C)C1(C)CC1 ZINC000702390327 712050035 /nfs/dbraw/zinc/05/00/35/712050035.db2.gz YBAYEHIOPZSQFL-ZJUUUORDSA-N 0 3 227.352 0.522 20 0 BCADHN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000702389250 712050037 /nfs/dbraw/zinc/05/00/37/712050037.db2.gz CSZFLCXVZQLIAB-VWYCJHECSA-N 0 3 227.352 0.570 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC(C1CC1)C1CC1 ZINC000702386642 712050231 /nfs/dbraw/zinc/05/02/31/712050231.db2.gz QLEURSFTGWOTDG-LBPRGKRZSA-N 0 3 239.363 0.428 20 0 BCADHN CCC(C)(C)NC(=O)[C@@H](N)CN(C)C ZINC000702370324 712048670 /nfs/dbraw/zinc/04/86/70/712048670.db2.gz NRGBIQYTLXVERV-QMMMGPOBSA-N 0 3 201.314 0.180 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCCC1(C)C ZINC000702377633 712049190 /nfs/dbraw/zinc/04/91/90/712049190.db2.gz HHFCIWYIXZFADA-VIFPVBQESA-N 0 3 213.325 0.276 20 0 BCADHN CC1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000702384453 712049197 /nfs/dbraw/zinc/04/91/97/712049197.db2.gz JAEIMJZQYGBIMF-JTQLQIEISA-N 0 3 213.325 0.134 20 0 BCADHN N[C@@H](C(=O)NCc1ncccn1)C1CCC1 ZINC000702382603 712049525 /nfs/dbraw/zinc/04/95/25/712049525.db2.gz COOYTKSBARWNPI-SNVBAGLBSA-N 0 3 220.276 0.220 20 0 BCADHN Cc1ccccc1NC(=O)[C@@H](N)CN(C)C ZINC000702401134 712050870 /nfs/dbraw/zinc/05/08/70/712050870.db2.gz KGBWLBVFARKQSP-JTQLQIEISA-N 0 3 221.304 0.822 20 0 BCADHN C[C@@H](N[C@H]1CCC(=O)N(C)C1=O)C1(Cl)CC1 ZINC000702412581 712051718 /nfs/dbraw/zinc/05/17/18/712051718.db2.gz DXVLLPISOFZJPC-SFYZADRCSA-N 0 3 244.722 0.883 20 0 BCADHN CN1CC[C@@](O)(CNc2cc(F)ncn2)C1 ZINC000702552755 712054988 /nfs/dbraw/zinc/05/49/88/712054988.db2.gz CEEFJVGOZSJZJE-SNVBAGLBSA-N 0 3 226.255 0.094 20 0 BCADHN CC(C)COCCCNC(=O)[C@@H](N)CN(C)C ZINC000702433000 712053412 /nfs/dbraw/zinc/05/34/12/712053412.db2.gz YFXUPQWVBACITI-NSHDSACASA-N 0 3 245.367 0.054 20 0 BCADHN CN1CCN(CCCCCCO)[C@@H](CO)C1 ZINC000703823551 712090031 /nfs/dbraw/zinc/09/00/31/712090031.db2.gz SMOIMRKKRLPHJQ-GFCCVEGCSA-N 0 3 230.352 0.147 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NCCn1cncn1 ZINC000704438515 712108404 /nfs/dbraw/zinc/10/84/04/712108404.db2.gz BMJWAJAOOOWLRD-JTQLQIEISA-N 0 3 239.323 0.158 20 0 BCADHN C[C@H](N)C(=O)NCC[C@@H]1CCSC1 ZINC000704923532 712120139 /nfs/dbraw/zinc/12/01/39/712120139.db2.gz PPOUHSDICICSFH-JGVFFNPUSA-N 0 3 202.323 0.593 20 0 BCADHN COCC[C@H](N)C(=O)NCC[C@H]1CCSC1 ZINC000704920273 712120470 /nfs/dbraw/zinc/12/04/70/712120470.db2.gz ZRQTYQWWXSZREE-UWVGGRQHSA-N 0 3 246.376 0.610 20 0 BCADHN CC1(C)C[C@]1(C)NS(=O)(=O)C1CNC1 ZINC000705418440 712131393 /nfs/dbraw/zinc/13/13/93/712131393.db2.gz GXGLERKITMPBJO-VIFPVBQESA-N 0 3 218.322 0.066 20 0 BCADHN COC1(OC)CC[C@H]1N[C@@H]1CCOC1 ZINC000710960073 712268300 /nfs/dbraw/zinc/26/83/00/712268300.db2.gz MFZIDYGOCYHIEG-RKDXNWHRSA-N 0 3 201.266 0.516 20 0 BCADHN COC[C@H](C)N[C@@H]1CCC1(OC)OC ZINC000710993323 712273027 /nfs/dbraw/zinc/27/30/27/712273027.db2.gz HLWGVAHZIPTTBC-DTWKUNHWSA-N 0 3 203.282 0.762 20 0 BCADHN CCN1CC[C@H](NC(=O)N[C@@H]2COC[C@H]2C)C1 ZINC000922907637 712285456 /nfs/dbraw/zinc/28/54/56/712285456.db2.gz JFRVLQGDJNBXCL-OUAUKWLOSA-N 0 3 241.335 0.415 20 0 BCADHN CCOC(=O)c1ncc(CNCCCO)s1 ZINC000711406160 712297924 /nfs/dbraw/zinc/29/79/24/712297924.db2.gz SSWOBYHYWYYGPZ-UHFFFAOYSA-N 0 3 244.316 0.792 20 0 BCADHN OCc1cnccc1N1CCC[C@H](O)CC1 ZINC000378809436 712362682 /nfs/dbraw/zinc/36/26/82/712362682.db2.gz ZBURMGUJGIPCGM-NSHDSACASA-N 0 3 222.288 0.925 20 0 BCADHN N[C@H](CC1CC1)C(=O)N[C@@H]1CCSC1 ZINC000379496047 712386058 /nfs/dbraw/zinc/38/60/58/712386058.db2.gz ZISXETZCOLDUGY-RKDXNWHRSA-N 0 3 214.334 0.736 20 0 BCADHN O[C@]1(CNCc2c[nH]cn2)CCSC1 ZINC000379657685 712391661 /nfs/dbraw/zinc/39/16/61/712391661.db2.gz MTILVGQXONXYGR-VIFPVBQESA-N 0 3 213.306 0.367 20 0 BCADHN O=C(CCN1CCC[C@@H](OCCO)C1)C1CC1 ZINC000767403770 712413659 /nfs/dbraw/zinc/41/36/59/712413659.db2.gz ZQFXKXDDAYKPNI-GFCCVEGCSA-N 0 3 241.331 0.829 20 0 BCADHN Cc1nc(CNC[C@@H]2CCN2C)[nH]c1C ZINC000712572387 712447494 /nfs/dbraw/zinc/44/74/94/712447494.db2.gz NPPLAIGXAHYGSJ-JTQLQIEISA-N 0 3 208.309 0.820 20 0 BCADHN O=C(NC[C@@H]1CCN1CC1CC1)[C@@H]1CCCO1 ZINC001038041153 712459044 /nfs/dbraw/zinc/45/90/44/712459044.db2.gz QXBXWHNUIIMHPE-RYUDHWBXSA-N 0 3 238.331 0.766 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CCC(C)(C)CO2)C[C@H]1O ZINC000713571173 712465712 /nfs/dbraw/zinc/46/57/12/712465712.db2.gz QRXWLZAPXTULJG-QJPTWQEYSA-N 0 3 243.347 0.883 20 0 BCADHN C=C/C=C\CCN1CCN(C)C[C@@H]1CO ZINC000713652271 712468267 /nfs/dbraw/zinc/46/82/67/712468267.db2.gz ZVLRXCLJQIFTEX-QMAVJUDZSA-N 0 3 210.321 0.727 20 0 BCADHN CO[C@H]1C[C@H](CNCc2cn(C)cn2)C1 ZINC000714614093 712488279 /nfs/dbraw/zinc/48/82/79/712488279.db2.gz MHJIDWLUGAZUHF-HOMQSWHASA-N 0 3 209.293 0.935 20 0 BCADHN CC(C)[C@H](CCO)N[C@H](C)c1cn(C)nn1 ZINC000715879004 712538942 /nfs/dbraw/zinc/53/89/42/712538942.db2.gz RIDKEJFUPVJDAL-ZJUUUORDSA-N 0 3 226.324 0.873 20 0 BCADHN O=C(CNC1CC1)Nc1cnn(C(F)F)c1 ZINC000818609827 712589939 /nfs/dbraw/zinc/58/99/39/712589939.db2.gz OQGCNHLSILFCBX-UHFFFAOYSA-N 0 3 230.218 0.969 20 0 BCADHN OC/C=C/CN[C@@H]1CCCc2n[nH]cc21 ZINC000717439199 712657977 /nfs/dbraw/zinc/65/79/77/712657977.db2.gz ZRTFNBJDJAXHKO-TXXBHVLJSA-N 0 3 207.277 0.925 20 0 BCADHN O=S(=O)(c1ccns1)N1CCCNCC1 ZINC000717687798 712664690 /nfs/dbraw/zinc/66/46/90/712664690.db2.gz HJOGXCCQWYKLNH-UHFFFAOYSA-N 0 3 247.345 0.127 20 0 BCADHN OCCN(CCO)CCSC(F)(F)F ZINC000123697083 712694071 /nfs/dbraw/zinc/69/40/71/712694071.db2.gz KIOWFABVIPTXHF-UHFFFAOYSA-N 0 3 233.255 0.526 20 0 BCADHN Cc1coc(CNCCCNS(C)(=O)=O)c1 ZINC000718068596 712740980 /nfs/dbraw/zinc/74/09/80/712740980.db2.gz WKSFMUKQYYHKAU-UHFFFAOYSA-N 0 3 246.332 0.617 20 0 BCADHN C[C@H](NCCS(C)(=O)=O)[C@@H]1CCCO1 ZINC000037743430 712754140 /nfs/dbraw/zinc/75/41/40/712754140.db2.gz UZBHCXAVPSHDRS-IUCAKERBSA-N 0 3 221.322 0.188 20 0 BCADHN CC(C)OC[C@H](O)CNCc1cccnc1 ZINC000037850890 712775854 /nfs/dbraw/zinc/77/58/54/712775854.db2.gz VQOBNURSQKAALO-GFCCVEGCSA-N 0 3 224.304 0.957 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H](C2OCCO2)C1 ZINC000718989658 712792241 /nfs/dbraw/zinc/79/22/41/712792241.db2.gz SGIORBHFDLGLOH-JTQLQIEISA-N 0 3 242.319 0.206 20 0 BCADHN Cn1ncc(CN)c1C(=O)N[C@H]1C=CCC1 ZINC000719264753 712801873 /nfs/dbraw/zinc/80/18/73/712801873.db2.gz ZIYUIOUAGUCDIE-VIFPVBQESA-N 0 3 220.276 0.327 20 0 BCADHN CCOCC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000719435892 712808015 /nfs/dbraw/zinc/80/80/15/712808015.db2.gz NFVIVZRKGMDWRQ-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@H]1[C@H](NCc2cn(C)cn2)CCN1C ZINC000719623621 712814443 /nfs/dbraw/zinc/81/44/43/712814443.db2.gz NBILTMCBEUQWEY-GXSJLCMTSA-N 0 3 208.309 0.602 20 0 BCADHN C[C@@H]1[C@@H](Nc2nccn(C)c2=O)CCN1C ZINC000719603287 712815954 /nfs/dbraw/zinc/81/59/54/712815954.db2.gz SCQYUUOSIBTHHN-BDAKNGLRSA-N 0 3 222.292 0.285 20 0 BCADHN CCCn1cc(CN[C@H]2CCN(C)[C@H]2C)nn1 ZINC000719603910 712816176 /nfs/dbraw/zinc/81/61/76/712816176.db2.gz ULYVDFFDQNTFBQ-JQWIXIFHSA-N 0 3 237.351 0.870 20 0 BCADHN C[C@H](N)c1cn(CCc2ccns2)nn1 ZINC000719852045 712826162 /nfs/dbraw/zinc/82/61/62/712826162.db2.gz QMYUBIWGUZZKQL-ZETCQYMHSA-N 0 3 223.305 0.997 20 0 BCADHN Cc1cc(N2CCO[C@H](C)CC2)nc(N)n1 ZINC000720461182 712844513 /nfs/dbraw/zinc/84/45/13/712844513.db2.gz SMZCVZFMINCKJN-SECBINFHSA-N 0 3 222.292 0.982 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)C(C)(C)O ZINC000720841694 712870180 /nfs/dbraw/zinc/87/01/80/712870180.db2.gz UMFGPXKXFRBDJO-ZJUUUORDSA-N 0 3 226.320 0.452 20 0 BCADHN O=C(NC[C@H]1CCN1CC1CC1)C1CC1 ZINC001037995132 712897477 /nfs/dbraw/zinc/89/74/77/712897477.db2.gz WSOZNRMKRPCPGL-LLVKDONJSA-N 0 3 208.305 0.997 20 0 BCADHN CO[C@H](CNC(=O)[C@@H](N)CC1CC1)C(C)C ZINC000381131478 710604503 /nfs/dbraw/zinc/60/45/03/710604503.db2.gz HHVWCEDMISJUJI-WDEREUQCSA-N 0 3 228.336 0.901 20 0 BCADHN CNC(=O)C1(NCc2cnc[nH]2)CCCC1 ZINC000381292004 710617765 /nfs/dbraw/zinc/61/77/65/710617765.db2.gz DNMIFTNQMIDZPI-UHFFFAOYSA-N 0 3 222.292 0.558 20 0 BCADHN CC(C)CN1CC[C@@H]1CNC(=O)c1cnccn1 ZINC001038022296 712899144 /nfs/dbraw/zinc/89/91/44/712899144.db2.gz XARBWQMYRCETSL-LLVKDONJSA-N 0 3 248.330 0.937 20 0 BCADHN COc1ccc(CN[C@@H](CO)C2CC2)nn1 ZINC000381499910 710647285 /nfs/dbraw/zinc/64/72/85/710647285.db2.gz OGXJJFFYNAWASO-JTQLQIEISA-N 0 3 223.276 0.346 20 0 BCADHN C/C=C(/C)C(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001018692155 710668100 /nfs/dbraw/zinc/66/81/00/710668100.db2.gz DANNWKALMUJTFJ-LTAOASPFSA-N 0 3 239.319 0.017 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@@H](C(C)(C)O)C1 ZINC000721839469 710686602 /nfs/dbraw/zinc/68/66/02/710686602.db2.gz WMHOPJZCYAIBHG-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)CN1CC[C@H]1CNC(=O)c1ccncn1 ZINC001038820729 710707978 /nfs/dbraw/zinc/70/79/78/710707978.db2.gz LPKYYJXENSQULN-NSHDSACASA-N 0 3 248.330 0.937 20 0 BCADHN CCOCCNCc1cnc2n1CCOC2 ZINC000722819654 710720981 /nfs/dbraw/zinc/72/09/81/710720981.db2.gz CWJNDYBNRWPISP-UHFFFAOYSA-N 0 3 225.292 0.539 20 0 BCADHN C[C@@]1(NCc2cnc3n2CCOC3)CCOC1 ZINC000722826893 710721190 /nfs/dbraw/zinc/72/11/90/710721190.db2.gz KPSNMLHFFWHKTF-GFCCVEGCSA-N 0 3 237.303 0.682 20 0 BCADHN C[C@@H]1OCCN(C(=O)[C@H](N)CC2CC2)[C@H]1C ZINC000380508119 712901225 /nfs/dbraw/zinc/90/12/25/712901225.db2.gz KDYRFUGAGCBJKD-ATZCPNFKSA-N 0 3 226.320 0.750 20 0 BCADHN Cc1c[nH]c(CNCC[C@H]2CC(=O)N(C)C2)n1 ZINC000723544870 710727565 /nfs/dbraw/zinc/72/75/65/710727565.db2.gz GPODYKVRTIGRFF-JTQLQIEISA-N 0 3 236.319 0.676 20 0 BCADHN CC(C)(CNCc1cn[nH]c1)CS(C)(=O)=O ZINC000723875138 710733125 /nfs/dbraw/zinc/73/31/25/710733125.db2.gz SPSRTLODBIYKQX-UHFFFAOYSA-N 0 3 245.348 0.570 20 0 BCADHN C[C@H]1COCC[C@H]1CNCc1cnn(C)n1 ZINC000382004835 710765947 /nfs/dbraw/zinc/76/59/47/710765947.db2.gz AQWJJBNSCGDXTE-UWVGGRQHSA-N 0 3 224.308 0.577 20 0 BCADHN CO[C@@H](CNc1cc(C)nc(N)n1)C1CC1 ZINC000382096801 710776512 /nfs/dbraw/zinc/77/65/12/710776512.db2.gz FAYFJLDBUZASQG-VIFPVBQESA-N 0 3 222.292 0.456 20 0 BCADHN CN(C(=O)[C@H]1CCCN1C)C1CN(CCF)C1 ZINC001042545796 710791445 /nfs/dbraw/zinc/79/14/45/710791445.db2.gz IWNGJQSIMINALU-LLVKDONJSA-N 0 3 243.326 0.193 20 0 BCADHN CCCN1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001042538737 710792038 /nfs/dbraw/zinc/79/20/38/710792038.db2.gz QTUSEPKXFOVMHH-LBPRGKRZSA-N 0 3 239.363 0.633 20 0 BCADHN CC(=O)N1CCC[C@H]1CNCc1cnc(C)nc1 ZINC001044890484 710830816 /nfs/dbraw/zinc/83/08/16/710830816.db2.gz OMPBKZZWQWSKBQ-ZDUSSCGKSA-N 0 3 248.330 0.886 20 0 BCADHN CC[C@@H](CO)N(C)c1cc(C)nc(N)n1 ZINC000382127300 710797478 /nfs/dbraw/zinc/79/74/78/710797478.db2.gz VPMDJHNHXFUXGR-QMMMGPOBSA-N 0 3 210.281 0.405 20 0 BCADHN O=C(C(F)F)N1CC[C@H]2CC[C@@H](C1)N2CCO ZINC001045691859 710839230 /nfs/dbraw/zinc/83/92/30/710839230.db2.gz KJWDXBBXKVZFCG-BDAKNGLRSA-N 0 3 248.273 0.309 20 0 BCADHN C[C@@]1(NC(=O)c2ccc[nH]2)CCN(CCO)C1 ZINC001046133845 710849424 /nfs/dbraw/zinc/84/94/24/710849424.db2.gz ALDUADLNPRXBFM-GFCCVEGCSA-N 0 3 237.303 0.201 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001046120729 710849924 /nfs/dbraw/zinc/84/99/24/710849924.db2.gz JLTXKTZUBRSHDZ-ZDUSSCGKSA-N 0 3 249.314 0.534 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2nccnc2N)C1 ZINC001046204067 710854018 /nfs/dbraw/zinc/85/40/18/710854018.db2.gz HWTRCCMKZNNSIW-GFCCVEGCSA-N 0 3 249.318 0.273 20 0 BCADHN CC1CC(C(=O)N[C@@]2(C)CCN(CCO)C2)C1 ZINC001046226288 710857100 /nfs/dbraw/zinc/85/71/00/710857100.db2.gz FLMHVEJZTZTJMW-XIVSLSHWSA-N 0 3 240.347 0.605 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2nc(C)c[nH]2)C1 ZINC001046692445 710864518 /nfs/dbraw/zinc/86/45/18/710864518.db2.gz GJDGDKAPFQVGKE-LBPRGKRZSA-N 0 3 236.319 0.932 20 0 BCADHN CC(C)C(=O)N[C@H]1CC[C@@H](C)N(CCO)C1 ZINC001071349847 710868826 /nfs/dbraw/zinc/86/88/26/710868826.db2.gz MIJUTAUFBVNETG-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)C(=O)N(C)[C@H]1CN(C(C)C)C[C@@H]1O ZINC001047304960 710870230 /nfs/dbraw/zinc/87/02/30/710870230.db2.gz DXWFTLJDILUVGB-QWRGUYRKSA-N 0 3 228.336 0.554 20 0 BCADHN CC(=O)N(C)[C@H]1CN(CC[C@H](C)F)C[C@@H]1O ZINC001047271917 710870258 /nfs/dbraw/zinc/87/02/58/710870258.db2.gz SNUWEPOGUUIVPJ-LSJOCFKGSA-N 0 3 232.299 0.258 20 0 BCADHN O=C(C(F)F)N1CCC[C@H]2[C@H]1CCN2CCO ZINC001049269385 710898956 /nfs/dbraw/zinc/89/89/56/710898956.db2.gz UDSDZPBMMAGZFQ-DTWKUNHWSA-N 0 3 248.273 0.309 20 0 BCADHN O=C(C(F)F)N1CCC[C@H]2[C@@H]1CCN2CCO ZINC001049269386 710899116 /nfs/dbraw/zinc/89/91/16/710899116.db2.gz UDSDZPBMMAGZFQ-IUCAKERBSA-N 0 3 248.273 0.309 20 0 BCADHN C[C@@H](C[S@@](C)=O)N(C)CCC1OCCCO1 ZINC000399887553 710911645 /nfs/dbraw/zinc/91/16/45/710911645.db2.gz WEQBXAXMNOVHEE-MGPLVRAMSA-N 0 3 249.376 0.838 20 0 BCADHN CCC[N@@H+]1CC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC000053409017 710916940 /nfs/dbraw/zinc/91/69/40/710916940.db2.gz DBHGXJSGTNBYEK-VIFPVBQESA-N 0 3 237.307 0.266 20 0 BCADHN CCC[N@H+]1CC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC000053409017 710916943 /nfs/dbraw/zinc/91/69/43/710916943.db2.gz DBHGXJSGTNBYEK-VIFPVBQESA-N 0 3 237.307 0.266 20 0 BCADHN C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1NCCF ZINC001054438262 710934794 /nfs/dbraw/zinc/93/47/94/710934794.db2.gz NACUIXWADBZEGL-WPRPVWTQSA-N 0 3 240.282 0.429 20 0 BCADHN C[C@H]1CN(C(=O)c2cocn2)C[C@@H]1NCCF ZINC001054474361 710935775 /nfs/dbraw/zinc/93/57/75/710935775.db2.gz UBAJDTIBVHLKLJ-IUCAKERBSA-N 0 3 241.266 0.694 20 0 BCADHN C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1NCCF ZINC001054605711 710939590 /nfs/dbraw/zinc/93/95/90/710939590.db2.gz ICMXBNAIFGZYOJ-NXEZZACHSA-N 0 3 246.326 0.553 20 0 BCADHN CC/C=C\CNCCS(=O)(=O)CC ZINC000384805110 710966979 /nfs/dbraw/zinc/96/69/79/710966979.db2.gz ZGRBDGGEHPODLJ-WAYWQWQTSA-N 0 3 205.323 0.977 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](N)CC1CC1 ZINC000382501963 710972084 /nfs/dbraw/zinc/97/20/84/710972084.db2.gz SJBPGXJSTRXOED-PSASIEDQSA-N 0 3 241.335 0.097 20 0 BCADHN CCOC(=O)CCN1CC[C@H](C(=O)OCC)C1 ZINC000147149911 710995534 /nfs/dbraw/zinc/99/55/34/710995534.db2.gz FDYNLVCTZGKUDK-JTQLQIEISA-N 0 3 243.303 0.825 20 0 BCADHN COCC[C@H](N)C(=O)N1CC[C@H](C)[C@@H]1C ZINC000380623710 712901998 /nfs/dbraw/zinc/90/19/98/712901998.db2.gz BJJKTVZPNKEGST-GUBZILKMSA-N 0 3 214.309 0.607 20 0 BCADHN CCS(=O)(=O)CCN[C@@H](C)[C@H](OC)C1CC1 ZINC000388249532 711055017 /nfs/dbraw/zinc/05/50/17/711055017.db2.gz VPSIZFLMBATXGF-ONGXEEELSA-N 0 3 249.376 0.824 20 0 BCADHN CC1(C)CN(c2ccncc2CO)C[C@@H]1O ZINC000388106956 711052114 /nfs/dbraw/zinc/05/21/14/711052114.db2.gz WLFJMONKMNXBRR-NSHDSACASA-N 0 3 222.288 0.781 20 0 BCADHN COCCc1csc(NC(=N)N)n1 ZINC000388589091 711062786 /nfs/dbraw/zinc/06/27/86/711062786.db2.gz KJGCMXCFVXLCLL-UHFFFAOYSA-N 0 3 200.267 0.637 20 0 BCADHN CCCN1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001069887864 711077693 /nfs/dbraw/zinc/07/76/93/711077693.db2.gz UHGMMPRNLCWTMB-MNOVXSKESA-N 0 3 237.307 0.050 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)[C@H](N)CC1CC1 ZINC000389657654 711085243 /nfs/dbraw/zinc/08/52/43/711085243.db2.gz ZPTRCVCKVSKTAE-PSASIEDQSA-N 0 3 214.309 0.343 20 0 BCADHN CC(C)N1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000390130794 711106473 /nfs/dbraw/zinc/10/64/73/711106473.db2.gz HGBMWWNXGCFUDQ-SNVBAGLBSA-N 0 3 222.292 0.622 20 0 BCADHN c1nc(CNCCOC[C@@H]2CCOC2)c[nH]1 ZINC000390243787 711109641 /nfs/dbraw/zinc/10/96/41/711109641.db2.gz IMHIBFSKADKBLW-SNVBAGLBSA-N 0 3 225.292 0.552 20 0 BCADHN c1ncc(CNCCOC[C@@H]2CCOC2)[nH]1 ZINC000390243787 711109643 /nfs/dbraw/zinc/10/96/43/711109643.db2.gz IMHIBFSKADKBLW-SNVBAGLBSA-N 0 3 225.292 0.552 20 0 BCADHN COC1CCC(NCc2cnn(C)n2)CC1 ZINC000390428139 711116239 /nfs/dbraw/zinc/11/62/39/711116239.db2.gz NOCFCIOFCRULRU-UHFFFAOYSA-N 0 3 224.308 0.862 20 0 BCADHN Cc1cc(NCCc2cnccn2)nc(N)n1 ZINC000390429866 711116930 /nfs/dbraw/zinc/11/69/30/711116930.db2.gz RYHCEDJRZQRZRN-UHFFFAOYSA-N 0 3 230.275 0.064 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CNC2(CO)CC2)C1(F)F ZINC000390448173 711117907 /nfs/dbraw/zinc/11/79/07/711117907.db2.gz YLJYEXJSEHRYER-RQJHMYQMSA-N 0 3 235.230 0.155 20 0 BCADHN CCOC(CN(CCO)C[C@@H](C)O)OCC ZINC000390607953 711128158 /nfs/dbraw/zinc/12/81/58/711128158.db2.gz DENYZLPRXICDBB-SNVBAGLBSA-N 0 3 235.324 0.061 20 0 BCADHN COC(=O)/C(C)=C\CN1CCC[C@@H](O)CC1 ZINC000393475123 711159965 /nfs/dbraw/zinc/15/99/65/711159965.db2.gz HPKFNCGOZDKPAH-GULOHRGCSA-N 0 3 227.304 0.953 20 0 BCADHN Cc1ncsc1C(=O)NOCCN(C)C ZINC000393526428 711161810 /nfs/dbraw/zinc/16/18/10/711161810.db2.gz TWYUTNLJDAKLNM-UHFFFAOYSA-N 0 3 229.305 0.675 20 0 BCADHN CCOCCCC(=O)[N-]OCC[NH+](C)C ZINC000393527315 711161947 /nfs/dbraw/zinc/16/19/47/711161947.db2.gz UGLBEUOQLNQFMH-UHFFFAOYSA-N 0 3 218.297 0.413 20 0 BCADHN C[C@@H](Cn1ccnc1)NC(=O)[C@H](N)CC1CC1 ZINC000393847507 711176864 /nfs/dbraw/zinc/17/68/64/711176864.db2.gz HFNXUDSOXGULKL-GXSJLCMTSA-N 0 3 236.319 0.515 20 0 BCADHN CCS(=O)(=O)CCN[C@@H](C)[C@@H]1CCCCO1 ZINC000393880965 711178053 /nfs/dbraw/zinc/17/80/53/711178053.db2.gz BVXFVPNSHAABAU-QWRGUYRKSA-N 0 3 249.376 0.968 20 0 BCADHN COCC[C@@H](N)C(=O)NC[C@@H](OC)C(C)C ZINC000394459412 711192585 /nfs/dbraw/zinc/19/25/85/711192585.db2.gz KOMBLLRWSLMKMX-NXEZZACHSA-N 0 3 232.324 0.137 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@H]1C[C@@H](C)O[C@H]1C ZINC000394962776 711199548 /nfs/dbraw/zinc/19/95/48/711199548.db2.gz FQUKDFJMOHEAQX-VWYCJHECSA-N 0 3 249.376 0.965 20 0 BCADHN COc1nccc(CN[C@@H](C)C(C)(C)O)n1 ZINC000395125408 711202783 /nfs/dbraw/zinc/20/27/83/711202783.db2.gz NSSVZTCMSXMXSD-QMMMGPOBSA-N 0 3 225.292 0.734 20 0 BCADHN CCN1C[C@H](NC(=O)c2cnon2)CC[C@@H]1C ZINC001071916756 711209556 /nfs/dbraw/zinc/20/95/56/711209556.db2.gz QOOCTFQIOSIIAT-DTWKUNHWSA-N 0 3 238.291 0.672 20 0 BCADHN CC1(C)C[C@@H](NCCS(C)(=O)=O)CO1 ZINC000396880689 711371594 /nfs/dbraw/zinc/37/15/94/711371594.db2.gz DLTUAIKIGYXTHM-MRVPVSSYSA-N 0 3 221.322 0.188 20 0 BCADHN Cc1cc(NC[C@@H]2CC[C@H](C)O2)nc(N)n1 ZINC000397950574 711398150 /nfs/dbraw/zinc/39/81/50/711398150.db2.gz OXWNYVXQZREPIW-IUCAKERBSA-N 0 3 222.292 0.599 20 0 BCADHN Cc1ocnc1CNC(=O)[C@H](N)CC1CC1 ZINC000398092410 711400561 /nfs/dbraw/zinc/40/05/61/711400561.db2.gz YLHBGZABTUQOSX-SECBINFHSA-N 0 3 223.276 0.727 20 0 BCADHN Cc1cc(N[C@@H](C)CCCCO)nc(N)n1 ZINC000398442812 711409873 /nfs/dbraw/zinc/40/98/73/711409873.db2.gz WOPPJZYNOIMYGZ-QMMMGPOBSA-N 0 3 224.308 0.582 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)[C@H](N)CC1CC1 ZINC000398636483 711412953 /nfs/dbraw/zinc/41/29/53/711412953.db2.gz QOKSXHCFSOTBSJ-ATZCPNFKSA-N 0 3 228.336 0.637 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000398647614 711413670 /nfs/dbraw/zinc/41/36/70/711413670.db2.gz XSHDCOXGATZSMV-GARJFASQSA-N 0 3 230.352 0.883 20 0 BCADHN COC(=O)[C@@H](C)CN(C)CC[S@@](C)=O ZINC000398798808 711416028 /nfs/dbraw/zinc/41/60/28/711416028.db2.gz ANASOOAYVQPGOS-RMLUDKJBSA-N 0 3 221.322 0.106 20 0 BCADHN CC(C)C[C@H](O)CNC(=O)[C@@H](N)C1CCC1 ZINC000399130052 711421981 /nfs/dbraw/zinc/42/19/81/711421981.db2.gz MZAPNKHNKYOFRV-QWRGUYRKSA-N 0 3 228.336 0.637 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1CCn1ccccc1=O ZINC000399208666 711424417 /nfs/dbraw/zinc/42/44/17/711424417.db2.gz QNEDIGIXQHQNQG-NEPJUHHUSA-N 0 3 236.315 0.694 20 0 BCADHN CC[C@H]1CN(c2ccnc(CO)c2)C[C@@H]1O ZINC000399988639 711437770 /nfs/dbraw/zinc/43/77/70/711437770.db2.gz OLUFADBBWHCBPN-CABZTGNLSA-N 0 3 222.288 0.781 20 0 BCADHN CCOC[C@H](O)CNC/C=C(/C)C(=O)OC ZINC000381207302 710609334 /nfs/dbraw/zinc/60/93/34/710609334.db2.gz DAFYKTKXNAWVCO-HYHWUIIZSA-N 0 3 231.292 0.093 20 0 BCADHN C[C@@H](O)c1ncc(CN[C@H]2CCN(C)C2)s1 ZINC000381744115 710696157 /nfs/dbraw/zinc/69/61/57/710696157.db2.gz PRNBSXAKQFVVOH-BDAKNGLRSA-N 0 3 241.360 0.990 20 0 BCADHN C[C@H](O)c1ncc(CN[C@H]2CCN(C)C2)s1 ZINC000381744210 710696167 /nfs/dbraw/zinc/69/61/67/710696167.db2.gz PRNBSXAKQFVVOH-IUCAKERBSA-N 0 3 241.360 0.990 20 0 BCADHN CC(C)N1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038604744 710697374 /nfs/dbraw/zinc/69/73/74/710697374.db2.gz WWSKNERSRKMPON-WYUUTHIRSA-N 0 3 238.331 0.478 20 0 BCADHN Cc1nc[nH]c1C(=O)NC[C@H]1CCN1CC1CC1 ZINC001039082031 710718909 /nfs/dbraw/zinc/71/89/09/710718909.db2.gz GHVZVXLGIMFTRF-LLVKDONJSA-N 0 3 248.330 0.932 20 0 BCADHN c1n[nH]cc1CNC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724601647 710743654 /nfs/dbraw/zinc/74/36/54/710743654.db2.gz YURDUDGUUSIXFB-MXWKQRLJSA-N 0 3 223.276 0.303 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001046633635 710862960 /nfs/dbraw/zinc/86/29/60/710862960.db2.gz VEWMSYMTMOVXDB-WZRBSPASSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H]1CC[C@@H](NC(=O)C2(C)CC2)CN1CCO ZINC001071523518 710895756 /nfs/dbraw/zinc/89/57/56/710895756.db2.gz ZZXIIYRXLLORBL-WDEREUQCSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1cc(N[C@H]2COC(C)(C)C2)nc(N)n1 ZINC000396493504 711222913 /nfs/dbraw/zinc/22/29/13/711222913.db2.gz MJSBKELOWZBKGU-MRVPVSSYSA-N 0 3 222.292 0.599 20 0 BCADHN CC[C@H](COC)NCC(=O)N(C)OC ZINC000397466697 711382536 /nfs/dbraw/zinc/38/25/36/711382536.db2.gz LPEQMATWYOSACX-MRVPVSSYSA-N 0 3 204.270 0.021 20 0 BCADHN CON(C)C(=O)CN[C@H](C)C(C)(C)OC ZINC000397544204 711386687 /nfs/dbraw/zinc/38/66/87/711386687.db2.gz ZRFFHVGKZZBSHQ-MRVPVSSYSA-N 0 3 218.297 0.409 20 0 BCADHN CCS(=O)(=O)CCNCC1=CCOCC1 ZINC000397729851 711389952 /nfs/dbraw/zinc/38/99/52/711389952.db2.gz PNLBQAQKQRWDFG-UHFFFAOYSA-N 0 3 233.333 0.357 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)CC1CC1)c1ncon1 ZINC000397883243 711395400 /nfs/dbraw/zinc/39/54/00/711395400.db2.gz NYUZVOGLZMEURL-SVRRBLITSA-N 0 3 224.264 0.374 20 0 BCADHN CO[C@@H](C)CN1CCCO[C@@H](CNC(C)=O)C1 ZINC001073503977 711440173 /nfs/dbraw/zinc/44/01/73/711440173.db2.gz SZQKVSFAFZHWCF-JQWIXIFHSA-N 0 3 244.335 0.248 20 0 BCADHN CC(C)C(=O)N1CC[C@H](N[C@@H](C)C(N)=O)[C@@H]1C ZINC001074531467 711442892 /nfs/dbraw/zinc/44/28/92/711442892.db2.gz RIPDDCCFTCCTNR-GUBZILKMSA-N 0 3 241.335 0.095 20 0 BCADHN CCN1CC([C@H](C)NC(=O)c2cnn(C)c2)C1 ZINC000969277455 711454764 /nfs/dbraw/zinc/45/47/64/711454764.db2.gz ZVZYGVTUWLAMQY-VIFPVBQESA-N 0 3 236.319 0.490 20 0 BCADHN CC(C)CN1CC[C@H]1CNC(=O)c1cncnc1 ZINC001038182361 711473587 /nfs/dbraw/zinc/47/35/87/711473587.db2.gz APPZXMRQDCJNID-LBPRGKRZSA-N 0 3 248.330 0.937 20 0 BCADHN CNCC(=O)Nc1ccc(-n2nccn2)cc1 ZINC000037004362 711479874 /nfs/dbraw/zinc/47/98/74/711479874.db2.gz AUIQCCWYZRVFNU-UHFFFAOYSA-N 0 3 231.259 0.425 20 0 BCADHN CC[C@H](N)C(=O)NCC(=O)NCc1ccccc1 ZINC000037908810 711480891 /nfs/dbraw/zinc/48/08/91/711480891.db2.gz SWXPHIJLYVDOAK-NSHDSACASA-N 0 3 249.314 0.156 20 0 BCADHN O[C@H](CN[C@@H]1COC[C@@H]1O)c1ccccc1 ZINC000037888353 711481100 /nfs/dbraw/zinc/48/11/00/711481100.db2.gz RZEHZHZYRYYFDQ-UTUOFQBUSA-N 0 3 223.272 0.069 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)C[C@H]1O ZINC000720566497 711482236 /nfs/dbraw/zinc/48/22/36/711482236.db2.gz PFFRLZZGGDUSNT-RXGFPQBGSA-N 0 3 241.331 0.636 20 0 BCADHN Cc1cc(CNC[C@H](O)C2CC2)n(C)n1 ZINC000084244535 711487177 /nfs/dbraw/zinc/48/71/77/711487177.db2.gz TURHHUGQHWMFAM-NSHDSACASA-N 0 3 209.293 0.589 20 0 BCADHN COC(=O)/C(C)=C\CN1CCC[C@@]1(C)CO ZINC000723048266 711497738 /nfs/dbraw/zinc/49/77/38/711497738.db2.gz HEJGHUWOTWYRLK-JSJZCHLLSA-N 0 3 227.304 0.953 20 0 BCADHN COC(CN(C)[C@@H]1CC[C@@H]1OC)OC ZINC000724145097 711564887 /nfs/dbraw/zinc/56/48/87/711564887.db2.gz HPBZPRARXXAUBE-BDAKNGLRSA-N 0 3 203.282 0.715 20 0 BCADHN c1ncc(CNC[C@H]2C[C@@H]3COC[C@@H]3O2)cn1 ZINC000724542925 711588112 /nfs/dbraw/zinc/58/81/12/711588112.db2.gz BKNAXYBPNVINRL-UTUOFQBUSA-N 0 3 235.287 0.370 20 0 BCADHN CC[C@H](N)c1cn(CCO[C@H]2CCOC2)nn1 ZINC000724948676 711633546 /nfs/dbraw/zinc/63/35/46/711633546.db2.gz FELSNYNIBXVWKF-UWVGGRQHSA-N 0 3 240.307 0.493 20 0 BCADHN C=Cn1cc(CN[C@H]2CC23CC(O)C3)cn1 ZINC000724954597 711634686 /nfs/dbraw/zinc/63/46/86/711634686.db2.gz ZDCABNQHHGIUBH-CXQJBGSLSA-N 0 3 219.288 0.987 20 0 BCADHN CCc1nn(C)cc1CN[C@@H]1CC12CC(O)C2 ZINC000724974667 711639769 /nfs/dbraw/zinc/63/97/69/711639769.db2.gz KMEFBGSBOBDDPZ-YXMLORGKSA-N 0 3 235.331 0.986 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@H](CC)N(C)C ZINC000164662475 711682658 /nfs/dbraw/zinc/68/26/58/711682658.db2.gz IXZWQDWPXUPCTE-JTQLQIEISA-N 0 3 244.335 0.786 20 0 BCADHN Nc1cc(CN2C[C@H]3C[C@@]3(CO)C2)ccn1 ZINC000309563240 711699594 /nfs/dbraw/zinc/69/95/94/711699594.db2.gz PRSGULCSFZURIW-PWSUYJOCSA-N 0 3 219.288 0.478 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1COCC1(C)C ZINC000313122440 711713231 /nfs/dbraw/zinc/71/32/31/711713231.db2.gz SCVOJCYIPKBVCI-VIFPVBQESA-N 0 3 235.349 0.436 20 0 BCADHN CCN1C[C@@H](NC(=O)c2ncccn2)C(C)(C)C1 ZINC000977357181 711730205 /nfs/dbraw/zinc/73/02/05/711730205.db2.gz BXTKMVRAPMXVDR-SNVBAGLBSA-N 0 3 248.330 0.937 20 0 BCADHN CC1(C)C[C@@H]1C(=O)NC[C@H]1CCCN1CCO ZINC001027827032 711736772 /nfs/dbraw/zinc/73/67/72/711736772.db2.gz VNLCZANGYRXRBL-GHMZBOCLSA-N 0 3 240.347 0.605 20 0 BCADHN O=C(NC[C@@H]1CCCN1CCO)[C@H]1CC1(F)F ZINC001027873183 711740025 /nfs/dbraw/zinc/74/00/25/711740025.db2.gz YYLBIQYASUAZJU-DTWKUNHWSA-N 0 3 248.273 0.215 20 0 BCADHN CC[C@]1(C)CCN(C(=O)[C@H](N)CCOC)C1 ZINC000399358843 711747046 /nfs/dbraw/zinc/74/70/46/711747046.db2.gz PBRCVNDZOORTIE-ZYHUDNBSSA-N 0 3 228.336 0.999 20 0 BCADHN COC(=O)CC(C)(C)NC[C@@H](O)C(F)(F)F ZINC000183972162 711747957 /nfs/dbraw/zinc/74/79/57/711747957.db2.gz OMSCAAYUQDBPTE-ZCFIWIBFSA-N 0 3 243.225 0.841 20 0 BCADHN COC[C@@H](CO)NC[C@H](O)c1ccc(F)cc1 ZINC000229189057 711759545 /nfs/dbraw/zinc/75/95/45/711759545.db2.gz RJMCDMWRFXYQPO-NEPJUHHUSA-N 0 3 243.278 0.456 20 0 BCADHN CCOc1ccccc1CCNC(=O)CN ZINC000236913236 711763176 /nfs/dbraw/zinc/76/31/76/711763176.db2.gz WDYXNXNUDRHZFX-UHFFFAOYSA-N 0 3 222.288 0.703 20 0 BCADHN Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)nn1 ZINC000928432550 711772086 /nfs/dbraw/zinc/77/20/86/711772086.db2.gz QQWDPDPUABKAJD-NXEZZACHSA-N 0 3 234.303 0.607 20 0 BCADHN C[C@H]1C(=O)N([C@H]2CCCN(C)C2)C(=O)N1C ZINC000925291591 711795894 /nfs/dbraw/zinc/79/58/94/711795894.db2.gz JAQGDEWIHKZQAF-IUCAKERBSA-N 0 3 225.292 0.363 20 0 BCADHN CC(C)N1CC[C@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC001038132917 711802562 /nfs/dbraw/zinc/80/25/62/711802562.db2.gz KVJLKAVNZURZBT-JTQLQIEISA-N 0 3 249.314 1.000 20 0 BCADHN NC(=O)CCNCc1ccc(Cl)nc1 ZINC000379632186 711805258 /nfs/dbraw/zinc/80/52/58/711805258.db2.gz OQWAIIAIUFFBML-UHFFFAOYSA-N 0 3 213.668 0.700 20 0 BCADHN CCN1C[C@@H]2CCN(C(=O)c3ncccn3)[C@@H]2C1 ZINC001076385115 711805265 /nfs/dbraw/zinc/80/52/65/711805265.db2.gz ILKOUSHVQZENPG-WDEREUQCSA-N 0 3 246.314 0.643 20 0 BCADHN CCN(CC)CC(=O)NCC[C@H](C)NC(C)=O ZINC001076627455 711806460 /nfs/dbraw/zinc/80/64/60/711806460.db2.gz LSWBNHWKTHJXDE-JTQLQIEISA-N 0 3 243.351 0.359 20 0 BCADHN CC(C)CCN1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076662263 711807096 /nfs/dbraw/zinc/80/70/96/711807096.db2.gz AINBDLAWNXNPAJ-VXGBXAGGSA-N 0 3 240.347 0.604 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1C[C@@H](O)C1(C)C)N(C)C ZINC000907535789 711815919 /nfs/dbraw/zinc/81/59/19/711815919.db2.gz WFJUXJIDMYXJCK-LPEHRKFASA-N 0 3 228.336 0.602 20 0 BCADHN CC(=O)N1CC[C@H](NCc2cccnc2)C1 ZINC000150107731 711817888 /nfs/dbraw/zinc/81/78/88/711817888.db2.gz BLWOFFKBDFNKSS-LBPRGKRZSA-N 0 3 219.288 0.792 20 0 BCADHN Cn1cc(C(=O)NC[C@@H]2CCN2CC2CC2)cn1 ZINC001038055326 711821019 /nfs/dbraw/zinc/82/10/19/711821019.db2.gz ODWKKMAVLMKMOB-LBPRGKRZSA-N 0 3 248.330 0.634 20 0 BCADHN C[C@@]1(O)CCCN(c2ccncc2CO)C1 ZINC000157492183 711828296 /nfs/dbraw/zinc/82/82/96/711828296.db2.gz MCHFHELGROCTKK-GFCCVEGCSA-N 0 3 222.288 0.925 20 0 BCADHN CC[C@@H]1CN(C[C@@H](O)CO)CCS1 ZINC000228127970 711833658 /nfs/dbraw/zinc/83/36/58/711833658.db2.gz SEDUEEJLRXDHII-RKDXNWHRSA-N 0 3 205.323 0.167 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077515731 711846234 /nfs/dbraw/zinc/84/62/34/711846234.db2.gz KFNZKHJPCHTIFE-HJQYOEGKSA-N 0 3 238.331 0.214 20 0 BCADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001077518340 711846615 /nfs/dbraw/zinc/84/66/15/711846615.db2.gz WNHWSBMSVZXQHZ-GWOFURMSSA-N 0 3 226.320 0.214 20 0 BCADHN COC[C@@H](CN1CCOC[C@H]1CO)C(C)C ZINC000721977322 711856085 /nfs/dbraw/zinc/85/60/85/711856085.db2.gz SKXRNXLXPPIEHE-VXGBXAGGSA-N 0 3 231.336 0.598 20 0 BCADHN C[C@]1(NC(=O)c2cnn[n-]2)CC[N@H+](CC2CC2)C1 ZINC001046439085 711858003 /nfs/dbraw/zinc/85/80/03/711858003.db2.gz LPZNAZIRGBHNFB-LBPRGKRZSA-N 0 3 249.318 0.409 20 0 BCADHN C[C@]1(NC(=O)c2cnn[n-]2)CC[N@@H+](CC2CC2)C1 ZINC001046439085 711858005 /nfs/dbraw/zinc/85/80/05/711858005.db2.gz LPZNAZIRGBHNFB-LBPRGKRZSA-N 0 3 249.318 0.409 20 0 BCADHN CC(C)N1CC[C@@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001015612605 711869188 /nfs/dbraw/zinc/86/91/88/711869188.db2.gz QASCWUMLLYLOBL-PWSUYJOCSA-N 0 3 244.310 0.714 20 0 BCADHN O=C(NC[C@@H]1CCN1CC1CC1)c1ccn[nH]1 ZINC001038072556 711885699 /nfs/dbraw/zinc/88/56/99/711885699.db2.gz QEKMKDIAOXNSCE-JTQLQIEISA-N 0 3 234.303 0.624 20 0 BCADHN CCc1cc(C(=O)NCC2CN(CC)C2)no1 ZINC001032135309 711904573 /nfs/dbraw/zinc/90/45/73/711904573.db2.gz OXUSUKKKUSNSJA-UHFFFAOYSA-N 0 3 237.303 0.919 20 0 BCADHN CN1CCC(N(CCO)C(=O)C2CC2)CC1 ZINC000083924926 711921756 /nfs/dbraw/zinc/92/17/56/711921756.db2.gz SHFXNJJMMLJISR-UHFFFAOYSA-N 0 3 226.320 0.312 20 0 BCADHN Cn1nc2c(c1CNCC[S@@](C)=O)CCC2 ZINC000921751130 711938332 /nfs/dbraw/zinc/93/83/32/711938332.db2.gz DTGWSHBMRZJVCS-MRXNPFEDSA-N 0 3 241.360 0.377 20 0 BCADHN CC(=O)N1C[C@@H](C)[C@H](NCc2ccnn2C)C1 ZINC001054300491 711945692 /nfs/dbraw/zinc/94/56/92/711945692.db2.gz GKGJHBKDVWFSLL-BXKDBHETSA-N 0 3 236.319 0.377 20 0 BCADHN C[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001032836027 711956876 /nfs/dbraw/zinc/95/68/76/711956876.db2.gz XWIZXBBETPXPJO-GMTAPVOTSA-N 0 3 240.347 0.604 20 0 BCADHN COCCN1CC[C@@H](N(C)C(=O)C2CCC2)C1 ZINC001032854327 711963084 /nfs/dbraw/zinc/96/30/84/711963084.db2.gz ZJAWEHWQBYKSNY-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](O)CN1CC[C@H](N(C)C(=O)C(C)(C)F)C1 ZINC001032860773 711964953 /nfs/dbraw/zinc/96/49/53/711964953.db2.gz HBXTZYTWSSOJJS-UWVGGRQHSA-N 0 3 246.326 0.648 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)C2=COCCO2)C1 ZINC001032885425 711966206 /nfs/dbraw/zinc/96/62/06/711966206.db2.gz PJJNEUMZRHRZLC-SNVBAGLBSA-N 0 3 240.303 0.427 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC001032907066 711967073 /nfs/dbraw/zinc/96/70/73/711967073.db2.gz PRDRZJPLLUGUKE-NSHDSACASA-N 0 3 236.319 0.586 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2ccc(C)nn2)C1 ZINC001033069973 711973605 /nfs/dbraw/zinc/97/36/05/711973605.db2.gz NAWJQKNBQRZMDS-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2n[nH]cc2C)C1 ZINC001033067798 711973831 /nfs/dbraw/zinc/97/38/31/711973831.db2.gz YVMATDVGWYHZLF-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN CC(C)N1CC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001038093320 711979090 /nfs/dbraw/zinc/97/90/90/711979090.db2.gz WWUSCKAWAMLFOG-QWRGUYRKSA-N 0 3 226.320 0.622 20 0 BCADHN COCCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001033327504 711983318 /nfs/dbraw/zinc/98/33/18/711983318.db2.gz HBDWXBSAMVWVOO-GRYCIOLGSA-N 0 3 240.347 0.822 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCN(CCCO)C1 ZINC001033327085 711983634 /nfs/dbraw/zinc/98/36/34/711983634.db2.gz BYOVCCXFSXQVQR-GRYCIOLGSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@H](CNS(=O)(=O)C1CNC1)CC(F)F ZINC000700101515 711986325 /nfs/dbraw/zinc/98/63/25/711986325.db2.gz TUNUZWXZDZCXAK-LURJTMIESA-N 0 3 242.291 0.169 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@@H]1C=CCC1 ZINC000700505260 711995330 /nfs/dbraw/zinc/99/53/30/711995330.db2.gz MSYOPYJKIZGNMV-RNFRBKRXSA-N 0 3 204.220 0.804 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1CCO[C@@H](CCF)C1 ZINC000700558666 711997420 /nfs/dbraw/zinc/99/74/20/711997420.db2.gz JRCPTFBVUHKOFP-QWRGUYRKSA-N 0 3 244.310 0.701 20 0 BCADHN CCCN1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033515883 711999208 /nfs/dbraw/zinc/99/92/08/711999208.db2.gz MYEVOVAHIJHECD-SECBINFHSA-N 0 3 237.307 0.361 20 0 BCADHN CN(C(=O)C(C)(C)C)[C@H]1CCN(CCO)C1 ZINC001033608744 712008510 /nfs/dbraw/zinc/00/85/10/712008510.db2.gz CYJCFJULIYDOIH-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2ccnc(C)n2)C1 ZINC001033672476 712010768 /nfs/dbraw/zinc/01/07/68/712010768.db2.gz XOGUPLHLJYATKL-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CCN(C(C)=O)[C@@H]1CCN(CCOC)C1 ZINC001033713109 712015447 /nfs/dbraw/zinc/01/54/47/712015447.db2.gz CONZYQLBAURMDG-LLVKDONJSA-N 0 3 214.309 0.576 20 0 BCADHN OC[C@@H]1CN(CCOC2CCCCC2)C[C@@H]1O ZINC000701332967 712020581 /nfs/dbraw/zinc/02/05/81/712020581.db2.gz USEYXXCZZXHAEQ-AAEUAGOBSA-N 0 3 243.347 0.621 20 0 BCADHN CCN(C(=O)[C@@H]1C[C@H]1C)[C@H]1CCN(CCO)C1 ZINC001033922726 712027935 /nfs/dbraw/zinc/02/79/35/712027935.db2.gz MPTOSNWFUBGQEW-GRYCIOLGSA-N 0 3 240.347 0.558 20 0 BCADHN CCC(=O)N[C@@H]1CCCCN(CCO)C1 ZINC001034061087 712037500 /nfs/dbraw/zinc/03/75/00/712037500.db2.gz MKIXDHSEFGUFTL-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN CC[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000702342439 712045566 /nfs/dbraw/zinc/04/55/66/712045566.db2.gz PPNFUUNNCIFJBF-RYUDHWBXSA-N 0 3 241.379 0.914 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)CC1CCCCC1 ZINC000702342596 712046019 /nfs/dbraw/zinc/04/60/19/712046019.db2.gz QPTQEUCCIWSQOP-LBPRGKRZSA-N 0 3 241.379 0.914 20 0 BCADHN CNS(=O)(=O)CCN[C@H](C)C1(Cl)CC1 ZINC000702356389 712046673 /nfs/dbraw/zinc/04/66/73/712046673.db2.gz JKGZZRKLBQNAJY-SSDOTTSWSA-N 0 3 240.756 0.285 20 0 BCADHN CC(C)CC[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702370593 712049163 /nfs/dbraw/zinc/04/91/63/712049163.db2.gz HLQDVKZFTNZSNN-QWRGUYRKSA-N 0 3 229.368 0.816 20 0 BCADHN CCC1(NC(=O)[C@@H](N)CN(C)C)CCC1 ZINC000702383938 712049228 /nfs/dbraw/zinc/04/92/28/712049228.db2.gz YSWIIBFDXILWIJ-VIFPVBQESA-N 0 3 213.325 0.324 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)c1ccc(F)cc1 ZINC000702374609 712049604 /nfs/dbraw/zinc/04/96/04/712049604.db2.gz BJVRVQBGMYMYGL-NSHDSACASA-N 0 3 239.294 0.677 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)CC(C)(C)C ZINC000702395655 712050011 /nfs/dbraw/zinc/05/00/11/712050011.db2.gz WRMFYDXCQQGAEB-VIFPVBQESA-N 0 3 215.341 0.380 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000702386620 712050197 /nfs/dbraw/zinc/05/01/97/712050197.db2.gz QKRALFQDELLNMQ-GRYCIOLGSA-N 0 3 239.363 0.666 20 0 BCADHN CC[C@H](C)CN(C)C(=O)[C@@H](N)CN(C)C ZINC000702401673 712050974 /nfs/dbraw/zinc/05/09/74/712050974.db2.gz NZPHNHCRFLAXCK-UWVGGRQHSA-N 0 3 215.341 0.380 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCSC(C)(C)C1 ZINC000702395168 712050282 /nfs/dbraw/zinc/05/02/82/712050282.db2.gz RUAIXFVYRZJGLY-VIFPVBQESA-N 0 3 245.392 0.229 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@H]1CC1(C)C ZINC000702386452 712050429 /nfs/dbraw/zinc/05/04/29/712050429.db2.gz PBJMRXDXXUDSGM-BDAKNGLRSA-N 0 3 213.325 0.038 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1cccc(F)c1 ZINC000702406601 712050909 /nfs/dbraw/zinc/05/09/09/712050909.db2.gz AFRRLVHCSRIERC-JTQLQIEISA-N 0 3 225.267 0.653 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1CC[C@@H]1SC ZINC000702411308 712051333 /nfs/dbraw/zinc/05/13/33/712051333.db2.gz FZZFRQRDNVUBKN-BDAKNGLRSA-N 0 3 237.390 0.905 20 0 BCADHN Cc1csc(NC(=O)[C@@H](N)CN(C)C)n1 ZINC000702410760 712051457 /nfs/dbraw/zinc/05/14/57/712051457.db2.gz WFXJWXTZAFTAFK-ZETCQYMHSA-N 0 3 228.321 0.279 20 0 BCADHN Cc1ccccc1CN(C)C(=O)[C@@H](N)CN(C)C ZINC000702422192 712052270 /nfs/dbraw/zinc/05/22/70/712052270.db2.gz SSYPQGXDOORYGB-ZDUSSCGKSA-N 0 3 249.358 0.842 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1Cc2ccccc2C1 ZINC000702418250 712052396 /nfs/dbraw/zinc/05/23/96/712052396.db2.gz XHCWJSRQLQAJAK-LBPRGKRZSA-N 0 3 233.315 0.418 20 0 BCADHN CC[C@H](C)CCNC(=O)[C@@H](N)CN(C)C ZINC000702421967 712052432 /nfs/dbraw/zinc/05/24/32/712052432.db2.gz BQYSCYDHLMRNTK-UWVGGRQHSA-N 0 3 215.341 0.428 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1cc(F)cc(F)c1 ZINC000702417626 712052466 /nfs/dbraw/zinc/05/24/66/712052466.db2.gz PUKGNNWKKMZTMK-JTQLQIEISA-N 0 3 243.257 0.792 20 0 BCADHN CO[C@](C)(CO)CNCc1ccc(C)nc1 ZINC000702528377 712054327 /nfs/dbraw/zinc/05/43/27/712054327.db2.gz NJQIGAVKSSPGJO-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN CO[C@@](C)(CO)CNc1cc(C)nc(N)n1 ZINC000702620084 712056405 /nfs/dbraw/zinc/05/64/05/712056405.db2.gz QGHCVHWWGYQERW-SNVBAGLBSA-N 0 3 226.280 0.177 20 0 BCADHN CCCOC(=O)NC[C@]1(O)CCN(C)C1 ZINC000702638548 712057950 /nfs/dbraw/zinc/05/79/50/712057950.db2.gz AAOOQYWWJRWLQM-SNVBAGLBSA-N 0 3 216.281 0.189 20 0 BCADHN CN1CC[C@](O)(CNC(=O)OC2CCCC2)C1 ZINC000702645432 712058027 /nfs/dbraw/zinc/05/80/27/712058027.db2.gz XMJQZHCCJJSZQT-LBPRGKRZSA-N 0 3 242.319 0.722 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N[C@H]1CCCCN(CCO)C1 ZINC001034347801 712060896 /nfs/dbraw/zinc/06/08/96/712060896.db2.gz TVBGGMMFGMJOIB-SRVKXCTJSA-N 0 3 240.347 0.605 20 0 BCADHN NCc1cn(C[C@@H](O)c2ccc(F)cc2)nn1 ZINC000702954519 712062207 /nfs/dbraw/zinc/06/22/07/712062207.db2.gz HNTAGTHRGRRUQF-LLVKDONJSA-N 0 3 236.250 0.610 20 0 BCADHN COC1CC(CN2C[C@@H](CO)OC(C)(C)C2)C1 ZINC000703730694 712086253 /nfs/dbraw/zinc/08/62/53/712086253.db2.gz IYIVFFCAMLBACE-MCIGGMRASA-N 0 3 243.347 0.883 20 0 BCADHN COC1CC(CN2CCN(C)C[C@@H]2CO)C1 ZINC000703784982 712088335 /nfs/dbraw/zinc/08/83/35/712088335.db2.gz SYFBVIGMACGAAU-MOENNCHZSA-N 0 3 228.336 0.020 20 0 BCADHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(N)nn1 ZINC000703967143 712096924 /nfs/dbraw/zinc/09/69/24/712096924.db2.gz NDQFNKLUGKUHDZ-RKDXNWHRSA-N 0 3 249.318 0.145 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000704257450 712102238 /nfs/dbraw/zinc/10/22/38/712102238.db2.gz COTLVEKHDDNCIT-UTLUCORTSA-N 0 3 244.360 0.457 20 0 BCADHN COC1(OC)CCOC[C@H]1NCCSC ZINC000704745448 712114956 /nfs/dbraw/zinc/11/49/56/712114956.db2.gz FRAUHGLVPDIEKT-SECBINFHSA-N 0 3 235.349 0.717 20 0 BCADHN CC[C@@H](N)C(=O)NCC[C@@H]1CCSC1 ZINC000704786700 712116945 /nfs/dbraw/zinc/11/69/45/712116945.db2.gz IZHBGOVJDPGOOO-RKDXNWHRSA-N 0 3 216.350 0.983 20 0 BCADHN CCC[C@H](CNC(=O)[C@@H](N)CN(C)C)OCC ZINC000705304621 712127700 /nfs/dbraw/zinc/12/77/00/712127700.db2.gz OHARNJJXRDDXAM-MNOVXSKESA-N 0 3 245.367 0.197 20 0 BCADHN Cc1cncc(CN2C[C@H](CO)[C@H](CO)C2)c1 ZINC000705385618 712130246 /nfs/dbraw/zinc/13/02/46/712130246.db2.gz FYUBASBTEBUZBY-BETUJISGSA-N 0 3 236.315 0.423 20 0 BCADHN COC[C@@H](C)N1CC2(C1)CCN(C(C)=O)CC2 ZINC001035630983 712138220 /nfs/dbraw/zinc/13/82/20/712138220.db2.gz CBHDUUALZGPFOL-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CCC(=O)N1CCC2(CN(C[C@H](C)O)C2)CC1 ZINC001035629527 712138289 /nfs/dbraw/zinc/13/82/89/712138289.db2.gz HCXKIWWSQVIWPQ-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN CON(C)C(=O)CN[C@H](C)[C@H]1CCCCO1 ZINC000705978463 712139565 /nfs/dbraw/zinc/13/95/65/712139565.db2.gz GBQJMLGJXLVTPA-NXEZZACHSA-N 0 3 230.308 0.553 20 0 BCADHN CN(Cc1ccon1)C(=O)[C@@H](N)CC1CC1 ZINC000706696404 712152691 /nfs/dbraw/zinc/15/26/91/712152691.db2.gz KUNVJDHUPCTQBV-JTQLQIEISA-N 0 3 223.276 0.760 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000707239957 712167181 /nfs/dbraw/zinc/16/71/81/712167181.db2.gz KFHRBMXVXWWGAY-AAEUAGOBSA-N 0 3 238.331 0.753 20 0 BCADHN CN(CCn1cccn1)C(=O)[C@H](N)CC1CC1 ZINC000707367906 712169949 /nfs/dbraw/zinc/16/99/49/712169949.db2.gz NYTJKOJCXDYRAX-LLVKDONJSA-N 0 3 236.319 0.469 20 0 BCADHN CC[C@@H](N)c1cn(Cc2nccc(C)n2)nn1 ZINC000707893364 712173506 /nfs/dbraw/zinc/17/35/06/712173506.db2.gz ONSGHVVQNGOAMG-SECBINFHSA-N 0 3 232.291 0.835 20 0 BCADHN COCC(=O)N1CC[C@H]2[C@@H](CCN2CCF)C1 ZINC001036606193 712199436 /nfs/dbraw/zinc/19/94/36/712199436.db2.gz FIRZEOMCDMECCR-QWRGUYRKSA-N 0 3 244.310 0.525 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)[C@H](N)CC2CC2)C1 ZINC000708963125 712204319 /nfs/dbraw/zinc/20/43/19/712204319.db2.gz SUVKIVPBSCGZNX-OUAUKWLOSA-N 0 3 226.320 0.655 20 0 BCADHN CCN1C[C@@H](CN2CC[C@@](C)(O)C2)OC1=O ZINC000709771703 712220941 /nfs/dbraw/zinc/22/09/41/712220941.db2.gz CVYTZXBAVDINKB-MWLCHTKSSA-N 0 3 228.292 0.284 20 0 BCADHN CN(C[C@H]1CC(C)(C)CO1)[C@@H]1COC[C@H]1O ZINC000709622624 712225545 /nfs/dbraw/zinc/22/55/45/712225545.db2.gz VLKJOOJRJZBWOS-GMTAPVOTSA-N 0 3 229.320 0.493 20 0 BCADHN Cc1n[nH]c(CCN[C@@H](C)c2cn(C)cn2)n1 ZINC000709947406 712234722 /nfs/dbraw/zinc/23/47/22/712234722.db2.gz DSMNCSNJBXZMBY-QMMMGPOBSA-N 0 3 234.307 0.740 20 0 BCADHN C[C@@H](NCC[C@]1(O)CCOC1)c1cn(C)cn1 ZINC000709987907 712237037 /nfs/dbraw/zinc/23/70/37/712237037.db2.gz WYNCLIBBIBNKOX-PWSUYJOCSA-N 0 3 239.319 0.612 20 0 BCADHN CC[S@](=O)CCN[C@H]1CCC1(OC)OC ZINC000710960160 712268373 /nfs/dbraw/zinc/26/83/73/712268373.db2.gz MVEBMBOFMOPYQN-VFZGTOFNSA-N 0 3 235.349 0.496 20 0 BCADHN COC[C@@H](CCO)N[C@H]1CCC1(OC)OC ZINC000710962404 712269024 /nfs/dbraw/zinc/26/90/24/712269024.db2.gz ATHGTWFGBHVXIO-ZJUUUORDSA-N 0 3 233.308 0.125 20 0 BCADHN COC[C@@H](C)N[C@H]1CCC1(OC)OC ZINC000710993027 712272784 /nfs/dbraw/zinc/27/27/84/712272784.db2.gz HLWGVAHZIPTTBC-BDAKNGLRSA-N 0 3 203.282 0.762 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@@H]1CO[C@@H](C)C1 ZINC000710992114 712273330 /nfs/dbraw/zinc/27/33/30/712273330.db2.gz BEIWKMASIBDSGG-GUBZILKMSA-N 0 3 215.293 0.905 20 0 BCADHN C[C@H](C(N)=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000711627686 712313635 /nfs/dbraw/zinc/31/36/35/712313635.db2.gz QDWZJFMAEGNCDO-PRJMDXOYSA-N 0 3 200.307 0.155 20 0 BCADHN C[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H]1COC(C)(C)C1 ZINC000711665153 712318658 /nfs/dbraw/zinc/31/86/58/712318658.db2.gz SNEPQFHOKKWBRH-UTLUCORTSA-N 0 3 247.360 0.577 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CC1CCC1 ZINC001079529400 712349118 /nfs/dbraw/zinc/34/91/18/712349118.db2.gz WOMHZZVGUDRUBU-ZYHUDNBSSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)C1=CCCC1 ZINC001079564518 712349984 /nfs/dbraw/zinc/34/99/84/712349984.db2.gz JQAPAAPTAJAOEY-ZYHUDNBSSA-N 0 3 238.331 0.526 20 0 BCADHN Cc1cc(C(=O)NOCCN(C)C)c(C)nn1 ZINC000379042549 712368985 /nfs/dbraw/zinc/36/89/85/712368985.db2.gz DHLUUSAFEXPDFX-UHFFFAOYSA-N 0 3 238.291 0.316 20 0 BCADHN CN(C)CCONC(=O)/C=C/c1cccnc1 ZINC000379043642 712369062 /nfs/dbraw/zinc/36/90/62/712369062.db2.gz FEFILYRURNXMFL-AATRIKPKSA-N 0 3 235.287 0.704 20 0 BCADHN CN(C)CCONC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000379087306 712369413 /nfs/dbraw/zinc/36/94/13/712369413.db2.gz JMFYPVDFCCMBOW-MYJAWHEDSA-N 0 3 212.293 0.642 20 0 BCADHN C[C@@H](NCCS(C)(=O)=O)[C@@H]1CCCCO1 ZINC000379269687 712371923 /nfs/dbraw/zinc/37/19/23/712371923.db2.gz UQQWFOTVCCGORA-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc[nH]c1=O ZINC000379425312 712384113 /nfs/dbraw/zinc/38/41/13/712384113.db2.gz AAHHMXOYUKWPKB-DTWKUNHWSA-N 0 3 235.287 0.610 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccc[nH]c2=O)[C@H]1C ZINC000379425307 712384132 /nfs/dbraw/zinc/38/41/32/712384132.db2.gz AAHHMXOYUKWPKB-BDAKNGLRSA-N 0 3 235.287 0.610 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCC(F)(F)F ZINC000379484263 712385636 /nfs/dbraw/zinc/38/56/36/712385636.db2.gz GZTZFLHGIKELAG-ZCFIWIBFSA-N 0 3 210.199 0.792 20 0 BCADHN CC/C=C(\C)C(=O)NC[C@@H]1CNCCO1 ZINC000379699984 712392575 /nfs/dbraw/zinc/39/25/75/712392575.db2.gz GVBGDMHCGRYCFE-LLGDCAAFSA-N 0 3 212.293 0.447 20 0 BCADHN O=C(CN1C[C@@H]2[C@H](O)CC[C@@H]2C1)NCC1CC1 ZINC000712292602 712394222 /nfs/dbraw/zinc/39/42/22/712394222.db2.gz IEGQOEQBBHFOIX-GRYCIOLGSA-N 0 3 238.331 0.215 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2cccc[n+]2[O-])C1 ZINC000744799514 712404252 /nfs/dbraw/zinc/40/42/52/712404252.db2.gz NATBKYMERLXKLF-LLVKDONJSA-N 0 3 249.314 0.392 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CCC3(CCC3)O2)C[C@H]1O ZINC000712505545 712432218 /nfs/dbraw/zinc/43/22/18/712432218.db2.gz VCZCXQFQTAWRPT-QJPTWQEYSA-N 0 3 241.331 0.780 20 0 BCADHN CCN1CC[C@H]1CNc1ncnc2c1cnn2C ZINC000712604577 712436915 /nfs/dbraw/zinc/43/69/15/712436915.db2.gz JIAMERSOETYVOO-VIFPVBQESA-N 0 3 246.318 0.869 20 0 BCADHN CC(C)(O)C1CCN(CCn2cnnn2)CC1 ZINC000712615006 712437973 /nfs/dbraw/zinc/43/79/73/712437973.db2.gz VEDKENHZMFJMDR-UHFFFAOYSA-N 0 3 239.323 0.156 20 0 BCADHN CCN1CC[C@H]1CNCc1cncnc1 ZINC000712535166 712441992 /nfs/dbraw/zinc/44/19/92/712441992.db2.gz LJKDIHWKDKPKDN-NSHDSACASA-N 0 3 206.293 0.660 20 0 BCADHN C[C@@H](NCCn1cnnn1)c1cccnc1 ZINC000712563538 712446436 /nfs/dbraw/zinc/44/64/36/712446436.db2.gz LWMAIVIZOVGPSD-SECBINFHSA-N 0 3 218.264 0.419 20 0 BCADHN CCN1CC[C@H]1CNc1ncnc2nc[nH]c21 ZINC000712576951 712448262 /nfs/dbraw/zinc/44/82/62/712448262.db2.gz CFEAWEVCSZAVFW-QMMMGPOBSA-N 0 3 232.291 0.811 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@](C)(C(F)(F)F)C1 ZINC000712728960 712448761 /nfs/dbraw/zinc/44/87/61/712448761.db2.gz WITDQGZSRYPCDC-SVRRBLITSA-N 0 3 240.225 0.513 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1C[C@@H](O)CC[C@H]1C ZINC000713699787 712469464 /nfs/dbraw/zinc/46/94/64/712469464.db2.gz AHVRUGVIOFJUFW-OUAUKWLOSA-N 0 3 245.319 0.146 20 0 BCADHN CCn1cc(CNC[C@H]2C[C@H](OC)C2)nn1 ZINC000714731426 712496788 /nfs/dbraw/zinc/49/67/88/712496788.db2.gz YQJFONFWPGQRAM-HOMQSWHASA-N 0 3 224.308 0.813 20 0 BCADHN CCn1cc(CNCC[C@H](C)CCO)nn1 ZINC000714943675 712500933 /nfs/dbraw/zinc/50/09/33/712500933.db2.gz XZMOSEKCHLWHGV-JTQLQIEISA-N 0 3 226.324 0.796 20 0 BCADHN CCn1cc(CNCC[C@@H](C)CCO)nn1 ZINC000714943677 712501053 /nfs/dbraw/zinc/50/10/53/712501053.db2.gz XZMOSEKCHLWHGV-SNVBAGLBSA-N 0 3 226.324 0.796 20 0 BCADHN [NH3+][C@H]1C[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC000715085645 712507463 /nfs/dbraw/zinc/50/74/63/712507463.db2.gz JQXIJWUXROYOQG-DTORHVGOSA-N 0 3 220.272 0.859 20 0 BCADHN Cc1nc([C@H](C)NC[C@H]2COC(C)(C)O2)n[nH]1 ZINC000715150235 712512241 /nfs/dbraw/zinc/51/22/41/712512241.db2.gz ALKRXWMZOFVUQU-CBAPKCEASA-N 0 3 240.307 0.915 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CC[C@@H](C3CC3)O2)C[C@H]1O ZINC000715397959 712516225 /nfs/dbraw/zinc/51/62/25/712516225.db2.gz XWIYRVIOHSEVCS-FVCCEPFGSA-N 0 3 241.331 0.636 20 0 BCADHN CS(=O)(=O)CCNC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715398071 712516286 /nfs/dbraw/zinc/51/62/86/712516286.db2.gz YNBKSEILOUNKHI-QWRGUYRKSA-N 0 3 247.360 0.578 20 0 BCADHN N[C@@H](C(=O)N1C[C@H]2[C@@H](C1)C2(F)F)C1CCC1 ZINC000715431599 712518887 /nfs/dbraw/zinc/51/88/87/712518887.db2.gz MAJNKKGKQULSCW-HRDYMLBCSA-N 0 3 230.258 0.837 20 0 BCADHN Cn1nncc1CNC[C@H]1CC[C@@H](C2CC2)O1 ZINC000715450032 712519182 /nfs/dbraw/zinc/51/91/82/712519182.db2.gz FKJCFQDKQPAKSO-NEPJUHHUSA-N 0 3 236.319 0.862 20 0 BCADHN Cn1nncc1CNC[C@H]1CC[C@H](C2CC2)O1 ZINC000715450039 712519292 /nfs/dbraw/zinc/51/92/92/712519292.db2.gz FKJCFQDKQPAKSO-VXGBXAGGSA-N 0 3 236.319 0.862 20 0 BCADHN C[C@H](N)C(=O)N[C@H](Cn1ccnc1)C(C)(C)C ZINC000036999269 712528623 /nfs/dbraw/zinc/52/86/23/712528623.db2.gz MCVCZCZFIJDGDD-VHSXEESVSA-N 0 3 238.335 0.761 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccccc1C(=O)N(C)C ZINC000037003019 712528891 /nfs/dbraw/zinc/52/88/91/712528891.db2.gz LIGBHHMWRUZTLJ-MRVPVSSYSA-N 0 3 235.287 0.674 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](Cn1ccnc1)C(C)(C)C ZINC000036999268 712528933 /nfs/dbraw/zinc/52/89/33/712528933.db2.gz MCVCZCZFIJDGDD-ZJUUUORDSA-N 0 3 238.335 0.761 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](Cn1ccnc1)C(C)(C)C ZINC000036999267 712528969 /nfs/dbraw/zinc/52/89/69/712528969.db2.gz MCVCZCZFIJDGDD-UWVGGRQHSA-N 0 3 238.335 0.761 20 0 BCADHN Cc1nccn1CCN[C@H](C)c1cn(C)nn1 ZINC000715858031 712537526 /nfs/dbraw/zinc/53/75/26/712537526.db2.gz JXZQWOJBKHZPHF-SECBINFHSA-N 0 3 234.307 0.671 20 0 BCADHN COC[C@@H](C)CN[C@@H](C)c1cn(C)nn1 ZINC000715881137 712539312 /nfs/dbraw/zinc/53/93/12/712539312.db2.gz YBRVJHOGHRCVIK-IUCAKERBSA-N 0 3 212.297 0.748 20 0 BCADHN CO[C@H]1C[C@H](CN[C@@H](C)c2cn(C)nn2)C1 ZINC000715879670 712539397 /nfs/dbraw/zinc/53/93/97/712539397.db2.gz UOZFRFUOXOPOSJ-GUBZILKMSA-N 0 3 224.308 0.891 20 0 BCADHN C[C@H](N[C@@H](C)[C@@H]1CCOC1)c1cn(C)nn1 ZINC000715882286 712539536 /nfs/dbraw/zinc/53/95/36/712539536.db2.gz KVKUEMHZTKKADU-LPEHRKFASA-N 0 3 224.308 0.891 20 0 BCADHN C[C@@H](NCCCn1ccnc1)c1cn(C)nn1 ZINC000715885808 712539820 /nfs/dbraw/zinc/53/98/20/712539820.db2.gz TZTNHDRXVPZONO-SNVBAGLBSA-N 0 3 234.307 0.753 20 0 BCADHN COCC[C@@H](C)N[C@@H](C)c1cn(C)nn1 ZINC000715896344 712540883 /nfs/dbraw/zinc/54/08/83/712540883.db2.gz ZHLJOWHMZBEPMO-BDAKNGLRSA-N 0 3 212.297 0.891 20 0 BCADHN C[C@H](N[C@H]1CCOC[C@@H]1C)c1cn(C)nn1 ZINC000715905924 712541582 /nfs/dbraw/zinc/54/15/82/712541582.db2.gz DOVNFOVBQFAAAL-GUBZILKMSA-N 0 3 224.308 0.891 20 0 BCADHN O[C@@H]1CN(C[C@@H]2CCC3(CCC3)CO2)C[C@@H]1O ZINC000716314856 712554057 /nfs/dbraw/zinc/55/40/57/712554057.db2.gz GJWPMXHHFIXVFR-SDDRHHMPSA-N 0 3 241.331 0.373 20 0 BCADHN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000716426349 712560141 /nfs/dbraw/zinc/56/01/41/712560141.db2.gz ZOCVGKLQPOXKLV-GCHJQGSQSA-N 0 3 240.347 0.317 20 0 BCADHN CCCCSCC(=O)N[C@H](CO)CN(C)C ZINC000716679776 712569481 /nfs/dbraw/zinc/56/94/81/712569481.db2.gz RXBXDKTYUTUAGL-JTQLQIEISA-N 0 3 248.392 0.558 20 0 BCADHN Cc1n[nH]c(CNCCN2CCOCC2)c1C ZINC000716675937 712569496 /nfs/dbraw/zinc/56/94/96/712569496.db2.gz GJTZELPHQYZRQT-UHFFFAOYSA-N 0 3 238.335 0.448 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)/C=C/c1ccco1 ZINC000716692343 712570241 /nfs/dbraw/zinc/57/02/41/712570241.db2.gz XWFQONWHDXOVBI-PORFMDCZSA-N 0 3 238.287 0.332 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)/C=C\c1cccnc1 ZINC000716735733 712571451 /nfs/dbraw/zinc/57/14/51/712571451.db2.gz MWSXNJBOIAAQNY-FJOGCWAESA-N 0 3 249.314 0.134 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)/C=C\c1ccccc1 ZINC000716736235 712571466 /nfs/dbraw/zinc/57/14/66/712571466.db2.gz QGPDLSOZXFXVHY-YXVBKTCISA-N 0 3 248.326 0.739 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)/C=C\c1ccccc1 ZINC000716736224 712571688 /nfs/dbraw/zinc/57/16/88/712571688.db2.gz QGPDLSOZXFXVHY-LJTDUEICSA-N 0 3 248.326 0.739 20 0 BCADHN O=C1C[C@H](NCc2cnc[nH]2)CN1CC1CC1 ZINC000716758822 712572598 /nfs/dbraw/zinc/57/25/98/712572598.db2.gz PRTFKKUGEQWWFE-JTQLQIEISA-N 0 3 234.303 0.510 20 0 BCADHN CS(=O)(=O)N[C@@H]1CCN(CCCC2CC2)C1 ZINC000813336109 712587729 /nfs/dbraw/zinc/58/77/29/712587729.db2.gz LNSWLGKRJVGFOW-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN CN(CCCC1CC1)CC(=O)N1CCOCC1 ZINC000813335089 712588003 /nfs/dbraw/zinc/58/80/03/712588003.db2.gz KFRMMRMVRNQLCP-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN Cn1cnc(CNC[C@H]2CC[C@@H](O)C2)c1 ZINC000379835084 712615404 /nfs/dbraw/zinc/61/54/04/712615404.db2.gz FAANNIYYDXWYMX-GXSJLCMTSA-N 0 3 209.293 0.671 20 0 BCADHN CCN(C[C@@H]1CCOC1)C(=O)[C@H](N)CC1CC1 ZINC000379891562 712620996 /nfs/dbraw/zinc/62/09/96/712620996.db2.gz FBRXUZYNHMQSNL-NWDGAFQWSA-N 0 3 240.347 0.999 20 0 BCADHN CCN(C[C@@H]1CCOC1)C(=O)[C@@H](N)CC1CC1 ZINC000379891564 712621021 /nfs/dbraw/zinc/62/10/21/712621021.db2.gz FBRXUZYNHMQSNL-RYUDHWBXSA-N 0 3 240.347 0.999 20 0 BCADHN CC/C=C(/F)C(=O)N[C@@H](CO)CN(C)C ZINC000868345318 712622206 /nfs/dbraw/zinc/62/22/06/712622206.db2.gz GHXZXRIABIZZKZ-CBVZUMJXSA-N 0 3 218.272 0.289 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1cccc(F)c1 ZINC000717275020 712641635 /nfs/dbraw/zinc/64/16/35/712641635.db2.gz BYJKQBYMTOWMBC-GZMMTYOYSA-N 0 3 213.252 0.657 20 0 BCADHN Cc1cc(CNC[C@H](O)[C@@H](C)O)ccc1F ZINC000717305173 712646058 /nfs/dbraw/zinc/64/60/58/712646058.db2.gz DFZLVXLAGQBITL-SKDRFNHKSA-N 0 3 227.279 0.965 20 0 BCADHN CCn1cc([C@H](C)NC[C@H](O)[C@H](C)O)cn1 ZINC000717309509 712646337 /nfs/dbraw/zinc/64/63/37/712646337.db2.gz USTAMTBCBLDSQD-QXEWZRGKSA-N 0 3 227.308 0.295 20 0 BCADHN O[C@H](CCNCc1cncnc1)C(F)F ZINC000717349790 712649967 /nfs/dbraw/zinc/64/99/67/712649967.db2.gz HAIXYWHZFWVZOG-MRVPVSSYSA-N 0 3 217.219 0.582 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1n[nH]c2ccccc12 ZINC000717388005 712653215 /nfs/dbraw/zinc/65/32/15/712653215.db2.gz OKQKXEQWEGKAGJ-PELKAZGASA-N 0 3 235.287 0.394 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1[nH]nc2ccccc21 ZINC000717388005 712653216 /nfs/dbraw/zinc/65/32/16/712653216.db2.gz OKQKXEQWEGKAGJ-PELKAZGASA-N 0 3 235.287 0.394 20 0 BCADHN C[C@H](O)[C@@H](O)CNc1ccnc2ccccc21 ZINC000717417162 712656674 /nfs/dbraw/zinc/65/66/74/712656674.db2.gz VOJVJFWLIRJBQJ-ZANVPECISA-N 0 3 232.283 0.810 20 0 BCADHN Cc1ncsc1CNC[C@H](O)[C@@H](C)O ZINC000717418560 712657039 /nfs/dbraw/zinc/65/70/39/712657039.db2.gz GFGKZQGSMNDYLY-SFYZADRCSA-N 0 3 216.306 0.283 20 0 BCADHN C[C@@H](O)[C@@H](O)CN[C@@H](C)c1cncs1 ZINC000717422917 712657662 /nfs/dbraw/zinc/65/76/62/712657662.db2.gz VZBUNWFBXUNGGD-RNJXMRFFSA-N 0 3 216.306 0.535 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000717620905 712662747 /nfs/dbraw/zinc/66/27/47/712662747.db2.gz XTPQTGRYSDQVGI-IUCAKERBSA-N 0 3 214.309 0.655 20 0 BCADHN N[C@H](CC1CC1)C(=O)N[C@@H](CO)C1CCC1 ZINC000717649032 712663244 /nfs/dbraw/zinc/66/32/44/712663244.db2.gz KJGCJMPSRSDXDY-MNOVXSKESA-N 0 3 226.320 0.391 20 0 BCADHN O=S(=O)([N-][C@H]1CCC[NH2+]C1)c1ccns1 ZINC000717736653 712669428 /nfs/dbraw/zinc/66/94/28/712669428.db2.gz PIJNOKASTQSQAB-ZETCQYMHSA-N 0 3 247.345 0.173 20 0 BCADHN CS(=O)(=O)CCNCCc1ccncc1 ZINC000037743457 712753941 /nfs/dbraw/zinc/75/39/41/712753941.db2.gz GHYZWESLOWUREF-UHFFFAOYSA-N 0 3 228.317 0.258 20 0 BCADHN CC(=O)NCCNC[C@@H](O)c1ccccc1F ZINC000037862480 712776248 /nfs/dbraw/zinc/77/62/48/712776248.db2.gz CMPVEHFCZVCNBB-GFCCVEGCSA-N 0 3 240.278 0.585 20 0 BCADHN Cn1cc(CN2CC[C@H](C3OCCO3)C2)cn1 ZINC000719079538 712796371 /nfs/dbraw/zinc/79/63/71/712796371.db2.gz JBPJYJLITBKSIR-NSHDSACASA-N 0 3 237.303 0.615 20 0 BCADHN C[C@@H]1CCCCN1C(=O)c1c(CN)cnn1C ZINC000719245707 712801210 /nfs/dbraw/zinc/80/12/10/712801210.db2.gz RVDRMQPITPGCRF-SECBINFHSA-N 0 3 236.319 0.893 20 0 BCADHN C[C@H](CNC(=O)c1c(CN)cnn1C)C1CC1 ZINC000719246836 712801398 /nfs/dbraw/zinc/80/13/98/712801398.db2.gz ZUJBKAQZIMURRP-MRVPVSSYSA-N 0 3 236.319 0.655 20 0 BCADHN C[C@H]1CCCN(C(=O)c2c(CN)cnn2C)C1 ZINC000719244461 712801610 /nfs/dbraw/zinc/80/16/10/712801610.db2.gz NTWMZHSKVPALFO-VIFPVBQESA-N 0 3 236.319 0.751 20 0 BCADHN Cn1ncc(CN)c1C(=O)NC1CCCC1 ZINC000719255813 712801834 /nfs/dbraw/zinc/80/18/34/712801834.db2.gz GBZAVJXBHHWEFG-UHFFFAOYSA-N 0 3 222.292 0.551 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2cn[nH]c2)CCN1C ZINC000719341893 712804698 /nfs/dbraw/zinc/80/46/98/712804698.db2.gz QWIGRNFNFHGCGI-IONNQARKSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C ZINC000719341383 712804910 /nfs/dbraw/zinc/80/49/10/712804910.db2.gz MLJFTKATCPVCCO-WPRPVWTQSA-N 0 3 235.287 0.610 20 0 BCADHN Cc1nc(N)nc(N[C@@H]2CCN(C)[C@@H]2C)n1 ZINC000719350362 712805110 /nfs/dbraw/zinc/80/51/10/712805110.db2.gz SPLLUDFEYRMPBM-HTRCEHHLSA-N 0 3 222.296 0.267 20 0 BCADHN C[C@@H]1[C@H](Nc2nc(N)nc(C3CC3)n2)CCN1C ZINC000719361276 712805246 /nfs/dbraw/zinc/80/52/46/712805246.db2.gz ZMMWGIGZXNFVKV-VXNVDRBHSA-N 0 3 248.334 0.836 20 0 BCADHN C[C@H](Cc1ccco1)NCCS(C)(=O)=O ZINC000038092994 712807632 /nfs/dbraw/zinc/80/76/32/712807632.db2.gz QVKQLGUSIWXJDL-SECBINFHSA-N 0 3 231.317 0.845 20 0 BCADHN CNc1cnc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cn1 ZINC000719489196 712808671 /nfs/dbraw/zinc/80/86/71/712808671.db2.gz FWYQZGNZCULMNS-RKDXNWHRSA-N 0 3 249.318 0.341 20 0 BCADHN Cc1c[nH]c(CN[C@H]2CCN(C)[C@@H]2C)n1 ZINC000719569052 712809759 /nfs/dbraw/zinc/80/97/59/712809759.db2.gz HEOLSQPHFRSJMO-ZJUUUORDSA-N 0 3 208.309 0.900 20 0 BCADHN Cc1nc(N[C@H]2CC[N@H+](C)[C@@H]2C)cc(=O)[n-]1 ZINC000719568863 712810251 /nfs/dbraw/zinc/81/02/51/712810251.db2.gz FZOZGVFGOGADMR-APPZFPTMSA-N 0 3 222.292 0.995 20 0 BCADHN Cc1nc(N[C@H]2CC[N@@H+](C)[C@@H]2C)cc(=O)[n-]1 ZINC000719568863 712810253 /nfs/dbraw/zinc/81/02/53/712810253.db2.gz FZOZGVFGOGADMR-APPZFPTMSA-N 0 3 222.292 0.995 20 0 BCADHN C[C@@H]1[C@H](NCc2csnn2)CCN1C ZINC000719584976 712813590 /nfs/dbraw/zinc/81/35/90/712813590.db2.gz RVJZGEBIUIECQH-VXNVDRBHSA-N 0 3 212.322 0.720 20 0 BCADHN C[C@H]1[C@@H](NCc2cn(C)cn2)CCN1C ZINC000719623624 712814171 /nfs/dbraw/zinc/81/41/71/712814171.db2.gz NBILTMCBEUQWEY-ONGXEEELSA-N 0 3 208.309 0.602 20 0 BCADHN CCCn1cc(CN[C@@H]2CCN(C)[C@H]2C)nn1 ZINC000719603908 712815983 /nfs/dbraw/zinc/81/59/83/712815983.db2.gz ULYVDFFDQNTFBQ-CMPLNLGQSA-N 0 3 237.351 0.870 20 0 BCADHN CCCn1cc(CN[C@H]2CCN(C)[C@@H]2C)nn1 ZINC000719603912 712816019 /nfs/dbraw/zinc/81/60/19/712816019.db2.gz ULYVDFFDQNTFBQ-PWSUYJOCSA-N 0 3 237.351 0.870 20 0 BCADHN C[C@H]1CCN(CCOCCO)CCO1 ZINC000720417178 712840989 /nfs/dbraw/zinc/84/09/89/712840989.db2.gz FHHDYEQSINWKQN-JTQLQIEISA-N 0 3 203.282 0.106 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](CCO)C1CC1 ZINC000305143653 712840181 /nfs/dbraw/zinc/84/01/81/712840181.db2.gz NARXBLYQMGCDQT-NSHDSACASA-N 0 3 228.336 0.604 20 0 BCADHN OCCN(CCO)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720562099 712851385 /nfs/dbraw/zinc/85/13/85/712851385.db2.gz RFNGAGVOIYXOFC-SDDRHHMPSA-N 0 3 229.320 0.231 20 0 BCADHN Cc1nc(F)ccc1CNCC[S@@](C)=O ZINC000380288630 712861724 /nfs/dbraw/zinc/86/17/24/712861724.db2.gz AZNQUQYZHJECNM-OAHLLOKOSA-N 0 3 230.308 0.997 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cn[nH]n1 ZINC000720813039 712867485 /nfs/dbraw/zinc/86/74/85/712867485.db2.gz XFMYYVBRLCBEJK-UWVGGRQHSA-N 0 3 235.291 0.113 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1nc[nH]n1 ZINC000720813382 712867838 /nfs/dbraw/zinc/86/78/38/712867838.db2.gz ZDGYPYOHHSBKBH-RKDXNWHRSA-N 0 3 235.291 0.113 20 0 BCADHN CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720851370 712870147 /nfs/dbraw/zinc/87/01/47/712870147.db2.gz QWAFWODWTVJROX-UWVGGRQHSA-N 0 3 211.309 0.884 20 0 BCADHN CCNC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720851373 712870540 /nfs/dbraw/zinc/87/05/40/712870540.db2.gz QWAFWODWTVJROX-VHSXEESVSA-N 0 3 211.309 0.884 20 0 BCADHN Cn1nncc1CNC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720861488 712870654 /nfs/dbraw/zinc/87/06/54/712870654.db2.gz NXMWMSIUMYYYHK-ADEWGFFLSA-N 0 3 236.319 0.862 20 0 BCADHN Cc1cc(CNC[C@H]2C[C@H](O)C2)nn1C ZINC000720904117 712875849 /nfs/dbraw/zinc/87/58/49/712875849.db2.gz MTYGMWXMJHZKGL-HOMQSWHASA-N 0 3 209.293 0.589 20 0 BCADHN OCc1ccc(CNC[C@H]2C[C@H](O)C2)o1 ZINC000720958209 712882869 /nfs/dbraw/zinc/88/28/69/712882869.db2.gz VKDCQRCOLOAARJ-KYZUINATSA-N 0 3 211.261 0.632 20 0 BCADHN NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000721134073 712892335 /nfs/dbraw/zinc/89/23/35/712892335.db2.gz MFZWOSBBXZFOAW-JTQLQIEISA-N 0 3 205.261 0.369 20 0 BCADHN CC(=O)NC[C@@H]1CCN1CC[C@H]1CCOC1 ZINC001037987339 712896870 /nfs/dbraw/zinc/89/68/70/712896870.db2.gz OQXNIZSPNFVOOF-RYUDHWBXSA-N 0 3 226.320 0.623 20 0 BCADHN COc1ccnc(N2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC001164667573 719371535 /nfs/dbraw/zinc/37/15/35/719371535.db2.gz KNHZCWSQRYJWAL-NEPJUHHUSA-N 0 3 249.314 0.609 20 0 BCADHN CN(C)Cc1ccnc(N2CC[C@H](CO)C2)c1 ZINC001165032954 721879173 /nfs/dbraw/zinc/87/91/73/721879173.db2.gz JDEMQXKEAIDJQQ-LBPRGKRZSA-N 0 3 235.331 0.962 20 0 BCADHN C[C@@H]1C(=O)NCCN1c1cc(CN(C)C)ccn1 ZINC001165036105 721883672 /nfs/dbraw/zinc/88/36/72/721883672.db2.gz JIMGWCOAOAZADE-SNVBAGLBSA-N 0 3 248.330 0.468 20 0 BCADHN Cc1noc(CCCN2CCC(O)CC2)n1 ZINC000407949262 136207699 /nfs/dbraw/zinc/20/76/99/136207699.db2.gz OQLJYXVBJGNSQA-UHFFFAOYSA-N 0 3 225.292 0.767 20 0 BCADHN CCC(CC)CN1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000407949743 136207877 /nfs/dbraw/zinc/20/78/77/136207877.db2.gz NDNARMFYXSMJKZ-JTQLQIEISA-N 0 3 239.319 0.659 20 0 BCADHN Cn1ccc(CN2CCN(CC3CC3)CC2)n1 ZINC000336712686 398135511 /nfs/dbraw/zinc/13/55/11/398135511.db2.gz OLVPBWRWFKZLPB-UHFFFAOYSA-N 0 3 234.347 0.948 20 0 BCADHN Cc1nc(C(=O)N2CCC[C@@H]2CN(C)C)no1 ZINC000408007669 136209043 /nfs/dbraw/zinc/20/90/43/136209043.db2.gz JSMPDBOWDMWIPO-SECBINFHSA-N 0 3 238.291 0.544 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2ccncn2)C1 ZINC000547978316 398136061 /nfs/dbraw/zinc/13/60/61/398136061.db2.gz FKJRFDOUGBPJQT-JTQLQIEISA-N 0 3 234.303 0.548 20 0 BCADHN Cc1nc([C@@H]2CCCN(CCO)C2)n[nH]1 ZINC000407948220 136207257 /nfs/dbraw/zinc/20/72/57/136207257.db2.gz UPDMKXROFADXBS-SECBINFHSA-N 0 3 210.281 0.285 20 0 BCADHN Cc1n[nH]c([C@@H]2CCCN(CCO)C2)n1 ZINC000407948220 136207258 /nfs/dbraw/zinc/20/72/58/136207258.db2.gz UPDMKXROFADXBS-SECBINFHSA-N 0 3 210.281 0.285 20 0 BCADHN OCCCN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000407948244 136207305 /nfs/dbraw/zinc/20/73/05/136207305.db2.gz UUVWQWASJJTQQD-SECBINFHSA-N 0 3 210.281 0.367 20 0 BCADHN OCCCN1CCC[C@H](c2nnc[nH]2)C1 ZINC000407948248 136207330 /nfs/dbraw/zinc/20/73/30/136207330.db2.gz UUVWQWASJJTQQD-VIFPVBQESA-N 0 3 210.281 0.367 20 0 BCADHN CC(C)(CO)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000548583176 398137768 /nfs/dbraw/zinc/13/77/68/398137768.db2.gz KTTOXBQGHRSTRX-VIFPVBQESA-N 0 3 226.320 0.358 20 0 BCADHN Cc1nn(CCCN2CCCCC2)c(=O)n1C ZINC000650348675 398138418 /nfs/dbraw/zinc/13/84/18/398138418.db2.gz ZVXOEBOJEVGELA-UHFFFAOYSA-N 0 3 238.335 0.766 20 0 BCADHN C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccccc1[O-] ZINC000385195038 398138563 /nfs/dbraw/zinc/13/85/63/398138563.db2.gz AJGIDWQFGUIBGT-RKDXNWHRSA-N 0 3 220.272 0.954 20 0 BCADHN CC(C)(CO)N1CCN(Cc2cccnc2)CC1 ZINC000605420791 343976760 /nfs/dbraw/zinc/97/67/60/343976760.db2.gz BPFPTTXWAOFGPU-UHFFFAOYSA-N 0 3 249.358 0.970 20 0 BCADHN CC(C(=O)N[C@]1(C)CCCOC1)S(C)(=O)=O ZINC000408094534 136210448 /nfs/dbraw/zinc/21/04/48/136210448.db2.gz SPVUBUZFFKAKHT-PSASIEDQSA-N 0 3 249.332 0.105 20 0 BCADHN COC(=O)CCCN1CC[C@H](C)[C@@H](O)C1 ZINC000093333002 343976816 /nfs/dbraw/zinc/97/68/16/343976816.db2.gz TUQNNXPZAZOXDM-UWVGGRQHSA-N 0 3 215.293 0.642 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C1CCC(O)CC1 ZINC000408120851 136210834 /nfs/dbraw/zinc/21/08/34/136210834.db2.gz JNYKRRVXRIFVCC-WHXUTIOJSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1CCN(CCn2ccnc2)C[C@@H]1O ZINC000093344718 343977181 /nfs/dbraw/zinc/97/71/81/343977181.db2.gz TWQKIGGHFHTAIK-MNOVXSKESA-N 0 3 209.293 0.586 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC000602121367 349454922 /nfs/dbraw/zinc/45/49/22/349454922.db2.gz IGUFTXQRLSXWHR-SECBINFHSA-N 0 3 244.335 0.642 20 0 BCADHN CCC(CC)(CCO)CNC(=O)[C@H](C)N ZINC000121678542 168319077 /nfs/dbraw/zinc/31/90/77/168319077.db2.gz HHBCUPBVGHJHOO-VIFPVBQESA-N 0 3 216.325 0.639 20 0 BCADHN CC[C@@H](NC(=O)[C@H](N)CC(C)C)C(=O)OC ZINC000236943942 349456408 /nfs/dbraw/zinc/45/64/08/349456408.db2.gz WUKJQJAPECJHBV-RKDXNWHRSA-N 0 3 230.308 0.428 20 0 BCADHN CCO[C@@H]1CCCN(C[C@@H]2COCCO2)C1 ZINC000649318280 398142805 /nfs/dbraw/zinc/14/28/05/398142805.db2.gz NRKIMTBXJIGPDI-VXGBXAGGSA-N 0 3 229.320 0.903 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000649319326 398142826 /nfs/dbraw/zinc/14/28/26/398142826.db2.gz YCLGWYJRPAJCGM-LLVKDONJSA-N 0 3 245.286 0.943 20 0 BCADHN CCC[C@H](NC(=O)CN)c1ccccn1 ZINC000649322191 398144683 /nfs/dbraw/zinc/14/46/83/398144683.db2.gz DPVZNFWEBWGBKW-JTQLQIEISA-N 0 3 207.277 0.998 20 0 BCADHN Cc1cn[nH]c1CN1CC(C(C)(C)O)C1 ZINC000297491150 398145864 /nfs/dbraw/zinc/14/58/64/398145864.db2.gz VBWBWKYFPNFGCE-UHFFFAOYSA-N 0 3 209.293 0.921 20 0 BCADHN CN1CCC[C@@H]1CCN1CCS(=O)(=O)CC1 ZINC000161576464 349474712 /nfs/dbraw/zinc/47/47/12/349474712.db2.gz NQCLXCBDDPSMCY-LLVKDONJSA-N 0 3 246.376 0.201 20 0 BCADHN CN(CC(F)F)C(=O)[C@H]1NCC1(C)C ZINC000389893691 398146403 /nfs/dbraw/zinc/14/64/03/398146403.db2.gz XKXWAUUTPNYXTM-SSDOTTSWSA-N 0 3 206.236 0.708 20 0 BCADHN CC1(C)CCCN(CCN2C(=O)CNC2=O)C1 ZINC000112701715 398146823 /nfs/dbraw/zinc/14/68/23/398146823.db2.gz GKXQDYGFPWZQGX-UHFFFAOYSA-N 0 3 239.319 0.660 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000226697149 187321667 /nfs/dbraw/zinc/32/16/67/187321667.db2.gz FOPOQJOGHLCMKF-CBAPKCEASA-N 0 3 210.281 0.570 20 0 BCADHN C[C@H](CCO)N(C)CCn1ccccc1=O ZINC000649867241 398147745 /nfs/dbraw/zinc/14/77/45/398147745.db2.gz GBKQPLWUEIUVDL-LLVKDONJSA-N 0 3 224.304 0.551 20 0 BCADHN C[C@H](CCO)N(C)Cc1ccc(C(N)=O)cc1 ZINC000649865709 398148221 /nfs/dbraw/zinc/14/82/21/398148221.db2.gz AKLJCEXPJYOLDN-SNVBAGLBSA-N 0 3 236.315 0.988 20 0 BCADHN C[C@@H](CCO)N(C)CCN1CCOCC1 ZINC000649867116 398148254 /nfs/dbraw/zinc/14/82/54/398148254.db2.gz FCPAQCAIXAPLLO-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN Cc1cc(CN2CC[C@H](C)[C@H]2CO)ncn1 ZINC000292823944 178000807 /nfs/dbraw/zinc/00/08/07/178000807.db2.gz MHBPXXCCXPYELQ-JOYOIKCWSA-N 0 3 221.304 0.988 20 0 BCADHN C[C@@H](CCO)N(C)CCCCS(C)(=O)=O ZINC000649867855 398151153 /nfs/dbraw/zinc/15/11/53/398151153.db2.gz UBAYMFDTBOCURX-JTQLQIEISA-N 0 3 237.365 0.514 20 0 BCADHN CN(C)Cc1ccc(C(=O)N(C)CC(N)=O)cc1 ZINC000299680921 398151290 /nfs/dbraw/zinc/15/12/90/398151290.db2.gz RWSZQIOIHWSQIV-UHFFFAOYSA-N 0 3 249.314 0.306 20 0 BCADHN Cc1cc(CN2C[C@@H](O)C[C@H]2CO)cs1 ZINC000295512056 178004903 /nfs/dbraw/zinc/00/49/03/178004903.db2.gz UYEVCNQIAOGEGJ-QWRGUYRKSA-N 0 3 227.329 0.984 20 0 BCADHN Cc1ocnc1CNC(=O)C1(N)CCCC1 ZINC000125417114 398151828 /nfs/dbraw/zinc/15/18/28/398151828.db2.gz IFQAGIMRLZXVEX-UHFFFAOYSA-N 0 3 223.276 0.871 20 0 BCADHN Cc1cc(CN2C[C@@H](O)[C@H](O)C2)cc(C)c1O ZINC000289791869 178005809 /nfs/dbraw/zinc/00/58/09/178005809.db2.gz RWFRKLLMEWFFQD-VXGBXAGGSA-N 0 3 237.299 0.546 20 0 BCADHN Cc1nn(C)cc1CN(C)[C@@H](C)CCO ZINC000649870886 398152281 /nfs/dbraw/zinc/15/22/81/398152281.db2.gz MFKSAWMSFYYGPL-VIFPVBQESA-N 0 3 211.309 0.931 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@@H]1CCSC1 ZINC000379572838 398152932 /nfs/dbraw/zinc/15/29/32/398152932.db2.gz IIBYOOCOPYEPDJ-PHDIDXHHSA-N 0 3 224.276 0.591 20 0 BCADHN CC[C@H](O)CN1CCO[C@]2(CCCOC2)C1 ZINC000339186453 398153519 /nfs/dbraw/zinc/15/35/19/398153519.db2.gz UUOUXXSRYHGMTG-NWDGAFQWSA-N 0 3 229.320 0.639 20 0 BCADHN Cc1cc(CNC(=O)NCCN(C)C)on1 ZINC000179216880 178012485 /nfs/dbraw/zinc/01/24/85/178012485.db2.gz MSWNVXWBQPJIHB-UHFFFAOYSA-N 0 3 226.280 0.344 20 0 BCADHN Cc1cc(=O)n(C)cc1NC(=O)[C@H]1CCCCN1 ZINC000237543140 398155042 /nfs/dbraw/zinc/15/50/42/398155042.db2.gz ROYYGGGIRLUWCQ-SNVBAGLBSA-N 0 3 249.314 0.774 20 0 BCADHN C[C@H](CCO)N(C)CCN1CCO[C@@H](C)C1 ZINC000649869698 398155239 /nfs/dbraw/zinc/15/52/39/398155239.db2.gz KEOQJSUXALESDY-NEPJUHHUSA-N 0 3 230.352 0.410 20 0 BCADHN Cc1cc(CNC(=O)N[C@@H](C)CN(C)C)on1 ZINC000287409264 178014743 /nfs/dbraw/zinc/01/47/43/178014743.db2.gz FDQWWOGWUDETKK-VIFPVBQESA-N 0 3 240.307 0.732 20 0 BCADHN Cc1cc(CNC(CO)CO)cs1 ZINC000295662029 178016469 /nfs/dbraw/zinc/01/64/69/178016469.db2.gz JLAAKWWCADBFTA-UHFFFAOYSA-N 0 3 201.291 0.499 20 0 BCADHN Cc1cc(CNC[C@H](O)CO)ccc1F ZINC000083347372 178025136 /nfs/dbraw/zinc/02/51/36/178025136.db2.gz UVMYUOLHDFKIDD-JTQLQIEISA-N 0 3 213.252 0.577 20 0 BCADHN CC[C@](C)(O)CNC(=O)NC1CCN(C)CC1 ZINC000105079961 136215142 /nfs/dbraw/zinc/21/51/42/136215142.db2.gz VJMBTGUAJJIODF-LBPRGKRZSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)N(C)CCO)CN1C1CC1 ZINC000305733342 136215279 /nfs/dbraw/zinc/21/52/79/136215279.db2.gz OJFYZYLLQLWIIS-VHSXEESVSA-N 0 3 241.335 0.245 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N(C)CCO)CN1C1CC1 ZINC000305733337 136215380 /nfs/dbraw/zinc/21/53/80/136215380.db2.gz OJFYZYLLQLWIIS-NXEZZACHSA-N 0 3 241.335 0.245 20 0 BCADHN Cc1cc(CN[C@@H]2CCCC[C@H]2C(N)=O)ncn1 ZINC000293071433 178033351 /nfs/dbraw/zinc/03/33/51/178033351.db2.gz HACYUEOOQLALHI-VXGBXAGGSA-N 0 3 248.330 0.919 20 0 BCADHN Cc1cc(CN[C@@H]2CCO[C@@H]2C)n(C)n1 ZINC000134546681 178035122 /nfs/dbraw/zinc/03/51/22/178035122.db2.gz UIWCHNOQYRPNKW-MWLCHTKSSA-N 0 3 209.293 0.996 20 0 BCADHN CC1(C)CN(C(=O)CNC2CC2)CCCO1 ZINC000390454103 398173760 /nfs/dbraw/zinc/17/37/60/398173760.db2.gz CCIBJEKTEVFLRS-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CCOC1CC(NC2COCCOC2)C1 ZINC000379899106 398174009 /nfs/dbraw/zinc/17/40/09/398174009.db2.gz DPIXAXJRICVXJD-UHFFFAOYSA-N 0 3 215.293 0.559 20 0 BCADHN CC(C(=O)N1CCOCC1(C)C)S(C)(=O)=O ZINC000112798109 136216221 /nfs/dbraw/zinc/21/62/21/136216221.db2.gz IOEFKHMUBAYDMI-QMMMGPOBSA-N 0 3 249.332 0.057 20 0 BCADHN C[C@@H]1NCCN(C(=O)CCn2ccnc2)[C@H]1C ZINC000277466195 398174599 /nfs/dbraw/zinc/17/45/99/398174599.db2.gz JGWFZHJFHSVNOR-QWRGUYRKSA-N 0 3 236.319 0.482 20 0 BCADHN CCN(CC)CC(=O)N(C)C[C@H]1CCCO1 ZINC000337428595 187325140 /nfs/dbraw/zinc/32/51/40/187325140.db2.gz XWOWJCKSWRWYBC-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCC[C@@H](N)C(=O)NCc1nccc(OC)n1 ZINC000424205010 398175348 /nfs/dbraw/zinc/17/53/48/398175348.db2.gz FPICEZZMODYLEV-MRVPVSSYSA-N 0 3 238.291 0.229 20 0 BCADHN C[C@]1(CO)CCC[C@H]1N[C@H]1CCNC1=O ZINC000309140689 136217727 /nfs/dbraw/zinc/21/77/27/136217727.db2.gz SXVJKZMPXYXPJP-IQJOONFLSA-N 0 3 212.293 0.016 20 0 BCADHN CCC[C@H](N)c1cn(Cc2csnn2)nn1 ZINC000390503712 398176503 /nfs/dbraw/zinc/17/65/03/398176503.db2.gz VJKYYDGGNOIOLT-QMMMGPOBSA-N 0 3 238.320 0.978 20 0 BCADHN O=C(CN1CCNC[C@@H]1C(F)F)N1CCCC1 ZINC000571087880 398178521 /nfs/dbraw/zinc/17/85/21/398178521.db2.gz KFCANOIWLACQOW-SECBINFHSA-N 0 3 247.289 0.148 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2cc[nH]c2)C1 ZINC000336675298 398183802 /nfs/dbraw/zinc/18/38/02/398183802.db2.gz AHTNIXXFMPABKN-LLVKDONJSA-N 0 3 207.277 0.725 20 0 BCADHN Cc1cc(C[C@H](C)NC(=O)CN(C)C)n[nH]1 ZINC000161858174 178056610 /nfs/dbraw/zinc/05/66/10/178056610.db2.gz JHNBQTIFRKWYRN-QMMMGPOBSA-N 0 3 224.308 0.327 20 0 BCADHN COc1ccc(CNCCc2nnc[nH]2)cc1O ZINC000080601769 398182227 /nfs/dbraw/zinc/18/22/27/398182227.db2.gz OYFLWQIILLOWMH-UHFFFAOYSA-N 0 3 248.286 0.851 20 0 BCADHN COc1ccsc1CNC[C@H]1CNCCO1 ZINC000415094896 398160639 /nfs/dbraw/zinc/16/06/39/398160639.db2.gz KUVRLCJSCNQITD-SECBINFHSA-N 0 3 242.344 0.835 20 0 BCADHN c1cc2c(c(CNC[C@@H]3CNCCO3)c1)NCC2 ZINC000415095199 398160724 /nfs/dbraw/zinc/16/07/24/398160724.db2.gz LUTMMGXVWCAFSW-ZDUSSCGKSA-N 0 3 247.342 0.733 20 0 BCADHN O=S(=O)(CC1CCC1)NCCNC1CC1 ZINC000379704336 398161537 /nfs/dbraw/zinc/16/15/37/398161537.db2.gz INTNHEJYRRLCOJ-UHFFFAOYSA-N 0 3 232.349 0.458 20 0 BCADHN CC[C@@H](N)C(=O)NCC1(C(F)F)CC1 ZINC000638722530 398161858 /nfs/dbraw/zinc/16/18/58/398161858.db2.gz ZAJDLPIGOGXSEB-ZCFIWIBFSA-N 0 3 206.236 0.885 20 0 BCADHN CNCC(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000380053302 398182492 /nfs/dbraw/zinc/18/24/92/398182492.db2.gz JUKVHCLSYGUULP-BDAKNGLRSA-N 0 3 200.282 0.137 20 0 BCADHN C[C@H](NC(=O)CN1CCNCC1)c1cccnc1 ZINC000035692580 398165513 /nfs/dbraw/zinc/16/55/13/398165513.db2.gz TUGIOCGPGKXVRZ-NSHDSACASA-N 0 3 248.330 0.164 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)C(N)C(F)(F)F ZINC000380098898 398185747 /nfs/dbraw/zinc/18/57/47/398185747.db2.gz LBYZHGXYROUYGO-HSUXUTPPSA-N 0 3 210.199 0.791 20 0 BCADHN O=C(CNC[C@H]1CCCO1)N[C@H]1C=CCCC1 ZINC000649374422 398186614 /nfs/dbraw/zinc/18/66/14/398186614.db2.gz CWBIQXCCKHDCCZ-NWDGAFQWSA-N 0 3 238.331 0.980 20 0 BCADHN Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@H](O)CN1 ZINC000020434391 178089669 /nfs/dbraw/zinc/08/96/69/178089669.db2.gz CCQJVBYIXPKYJY-ONGXEEELSA-N 0 3 238.262 0.795 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCC1(O)CCCC1 ZINC000162258575 538921876 /nfs/dbraw/zinc/92/18/76/538921876.db2.gz DMAGQRPYOMCYKP-JTQLQIEISA-N 0 3 249.376 0.704 20 0 BCADHN Cc1cc(N2CC(N(C)C)C2)n2ncnc2n1 ZINC000270903891 178112211 /nfs/dbraw/zinc/11/22/11/178112211.db2.gz SSOQVDXQTFHWNJ-UHFFFAOYSA-N 0 3 232.291 0.183 20 0 BCADHN C[C@@H]1OCCN(C(=O)COC2(C)CNC2)[C@H]1C ZINC000380559483 398200618 /nfs/dbraw/zinc/20/06/18/398200618.db2.gz KQNRFUIIOWYQIB-UWVGGRQHSA-N 0 3 242.319 0.001 20 0 BCADHN O=C([C@H]1CCCCN1)N1CCc2cncnc2C1 ZINC000430092966 398200907 /nfs/dbraw/zinc/20/09/07/398200907.db2.gz DIEHURUKNBWBBP-LLVKDONJSA-N 0 3 246.314 0.503 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000576293471 365556344 /nfs/dbraw/zinc/55/63/44/365556344.db2.gz YGWLHTHXAGVZFY-JLLWLGSASA-N 0 3 240.347 0.914 20 0 BCADHN CCC[C@H](O)CN1CCNC(=O)C[C@@H]1C ZINC000649400021 398202298 /nfs/dbraw/zinc/20/22/98/398202298.db2.gz KEXDDUDWTRHBQY-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN CCO[C@H]1C[C@@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC000576303255 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/nfs/dbraw/zinc/56/20/37/349562037.db2.gz GQQYCFJSRJGFLJ-UHFFFAOYSA-N 0 3 228.248 0.587 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCCOCC1 ZINC000381605881 398266336 /nfs/dbraw/zinc/26/63/36/398266336.db2.gz QCKRXWGPLPIXGN-VIFPVBQESA-N 0 3 212.293 0.233 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@H](C)SC ZINC000602485635 349568186 /nfs/dbraw/zinc/56/81/86/349568186.db2.gz OMXXTTZHWDHLKN-YUMQZZPRSA-N 0 3 204.339 0.852 20 0 BCADHN Cc1ccc(C(=O)C(=O)N(C)[C@@H](C)CN)cc1 ZINC000237409201 178370172 /nfs/dbraw/zinc/37/01/72/178370172.db2.gz QNSNONDSMYCHMS-JTQLQIEISA-N 0 3 234.299 0.983 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000602522477 349575881 /nfs/dbraw/zinc/57/58/81/349575881.db2.gz VYTDITRFVSAVRB-UWVGGRQHSA-N 0 3 242.319 0.396 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NCC1CC=CC1 ZINC000602524369 349576648 /nfs/dbraw/zinc/57/66/48/349576648.db2.gz DARFDXOAMWDMHR-SNVBAGLBSA-N 0 3 240.303 0.349 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000602504193 349580987 /nfs/dbraw/zinc/58/09/87/349580987.db2.gz LTEZTXZOTAMIMS-LPEHRKFASA-N 0 3 242.319 0.442 20 0 BCADHN CN(CC1(O)CCCC1)[C@@H]1CCNC1=O ZINC000179055675 538954283 /nfs/dbraw/zinc/95/42/83/538954283.db2.gz GWMSVFUWYUXDBT-SECBINFHSA-N 0 3 212.293 0.112 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1CCCOCC1 ZINC000183056116 346832440 /nfs/dbraw/zinc/83/24/40/346832440.db2.gz YESSIKQMZINVPW-SNVBAGLBSA-N 0 3 212.293 0.424 20 0 BCADHN CN1CCN(CCCNC(=O)C2CCC2)CC1 ZINC000061524138 349589396 /nfs/dbraw/zinc/58/93/96/349589396.db2.gz WOIHKJMFIWDSKI-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN CO[C@@H]1CCC[C@H]1CNCc1cnnn1C ZINC000381766852 346844661 /nfs/dbraw/zinc/84/46/61/346844661.db2.gz VJPWRSCGJUUVGT-GXSJLCMTSA-N 0 3 224.308 0.720 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCC[C@H](N(C)C)C1 ZINC000347746701 136234184 /nfs/dbraw/zinc/23/41/84/136234184.db2.gz CTDZGUUDIDWQGV-RYUDHWBXSA-N 0 3 228.336 0.352 20 0 BCADHN COCCCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000347961261 136234240 /nfs/dbraw/zinc/23/42/40/136234240.db2.gz 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226.320 0.576 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@H](O)C2CCC2)C1 ZINC000650511807 398277878 /nfs/dbraw/zinc/27/78/78/398277878.db2.gz RFVHMXITKYHEHB-SDDRHHMPSA-N 0 3 238.331 0.310 20 0 BCADHN NCc1cn(CCOCC2CCCC2)nn1 ZINC000085489957 488179285 /nfs/dbraw/zinc/17/92/85/488179285.db2.gz DKVGBLYNRYRIHF-UHFFFAOYSA-N 0 3 224.308 0.944 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccc2c(c1)CCO2 ZINC000083360947 398278137 /nfs/dbraw/zinc/27/81/37/398278137.db2.gz IXMHARISEXTLAO-NSHDSACASA-N 0 3 234.299 0.975 20 0 BCADHN COC(=O)c1[nH]c(CNCCO)cc1C ZINC000602586235 349612615 /nfs/dbraw/zinc/61/26/15/349612615.db2.gz LHHSTSHPOXOMDW-UHFFFAOYSA-N 0 3 212.249 0.192 20 0 BCADHN CN(CC1(O)CCC1)[C@@H]1CCCCN(C)C1=O ZINC000634740718 398278331 /nfs/dbraw/zinc/27/83/31/398278331.db2.gz GMBNEBASAJSGCG-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN CCc1[nH]n(C)c2nnc(NC(=O)[C@@H](C)N)c1-2 ZINC000648155350 398278712 /nfs/dbraw/zinc/27/87/12/398278712.db2.gz NPMKIBLWAKYMHD-RXMQYKEDSA-N 0 3 236.279 0.145 20 0 BCADHN CCc1nc(CCNC(=O)[C@H](C)N)cs1 ZINC000166662546 361855054 /nfs/dbraw/zinc/85/50/54/361855054.db2.gz QUHLUJLCDLMIQQ-ZETCQYMHSA-N 0 3 227.333 0.711 20 0 BCADHN CCN1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000336156117 342713589 /nfs/dbraw/zinc/71/35/89/342713589.db2.gz KLQNCGWPCNOBBM-UHFFFAOYSA-N 0 3 246.376 0.896 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCc2cccc(C)c21 ZINC000335605050 136236147 /nfs/dbraw/zinc/23/61/47/136236147.db2.gz FNFDGCMZIZDSGN-NSHDSACASA-N 0 3 234.299 0.858 20 0 BCADHN Cc1cccc(CCN2C[C@H](CO)[C@H](O)C2)n1 ZINC000399784528 342741620 /nfs/dbraw/zinc/74/16/20/342741620.db2.gz MMULNXXFBWGDFS-DGCLKSJQSA-N 0 3 236.315 0.218 20 0 BCADHN O=C(NC[C@H]1CNCCO1)N[C@H]1C=CCCC1 ZINC000335606609 136236218 /nfs/dbraw/zinc/23/62/18/136236218.db2.gz LITZPQZGMWMJCR-WDEREUQCSA-N 0 3 239.319 0.383 20 0 BCADHN CO[C@H](C)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000167078537 361860584 /nfs/dbraw/zinc/86/05/84/361860584.db2.gz FKRUYUQFARZQFT-RKDXNWHRSA-N 0 3 221.322 0.188 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1ccno1 ZINC000231892953 342743379 /nfs/dbraw/zinc/74/33/79/342743379.db2.gz VUFYQBCELRYVRQ-SNVBAGLBSA-N 0 3 211.265 0.808 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000167160021 361861734 /nfs/dbraw/zinc/86/17/34/361861734.db2.gz FWTXTLCBGGJZEJ-DTWKUNHWSA-N 0 3 214.309 0.607 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CCNC(=O)CC1)N(C)C ZINC000616358671 342720545 /nfs/dbraw/zinc/72/05/45/342720545.db2.gz TXQYQMQYXRJSOO-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCNC(=O)CC1 ZINC000616357734 342720589 /nfs/dbraw/zinc/72/05/89/342720589.db2.gz DZBIYRKTBLMKKF-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CC1(C)CCN1C[C@@H](O)Cn1cccn1 ZINC000583919048 342720936 /nfs/dbraw/zinc/72/09/36/342720936.db2.gz GVSNSOXFNIKANH-SNVBAGLBSA-N 0 3 209.293 0.728 20 0 BCADHN CC1(C)CCN1C[C@H](O)Cn1cccn1 ZINC000583919047 342721068 /nfs/dbraw/zinc/72/10/68/342721068.db2.gz GVSNSOXFNIKANH-JTQLQIEISA-N 0 3 209.293 0.728 20 0 BCADHN CCC(CC)NC(=O)[C@]1(F)CCNC1 ZINC000308930519 168384087 /nfs/dbraw/zinc/38/40/87/168384087.db2.gz LYBFFHOYTPQTTH-JTQLQIEISA-N 0 3 202.273 0.993 20 0 BCADHN C[C@@H](O)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000583943226 342729483 /nfs/dbraw/zinc/72/94/83/342729483.db2.gz CPWFGCXTPFZDNU-KXUCPTDWSA-N 0 3 212.293 0.062 20 0 BCADHN C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1O ZINC000629983610 361869991 /nfs/dbraw/zinc/86/99/91/361869991.db2.gz UJSPIGHVGSCKKX-ZYHUDNBSSA-N 0 3 240.347 0.700 20 0 BCADHN CCN1C[C@H](NCc2ccc(CO)cc2)CC1=O ZINC000391562107 398280183 /nfs/dbraw/zinc/28/01/83/398280183.db2.gz NKLMUDNZSXQWDO-CYBMUJFWSA-N 0 3 248.326 0.889 20 0 BCADHN CN(C)CC[C@@](C)(O)CNC(=O)C12CC(C1)C2 ZINC000629985837 361870964 /nfs/dbraw/zinc/87/09/64/361870964.db2.gz USMVDEJPCSNZHP-YXMLORGKSA-N 0 3 240.347 0.605 20 0 BCADHN CCc1cccc(CNC(CO)CO)c1 ZINC000144434224 342736346 /nfs/dbraw/zinc/73/63/46/342736346.db2.gz RPEDUTHMBLOOCE-UHFFFAOYSA-N 0 3 209.289 0.692 20 0 BCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN1C ZINC000588705522 398280762 /nfs/dbraw/zinc/28/07/62/398280762.db2.gz FOKZSAVSCNQPKJ-SNVBAGLBSA-N 0 3 241.335 0.112 20 0 BCADHN CN1CCC[C@@H]1CN1CCCC[C@@H]1C(N)=O ZINC000649483495 398280913 /nfs/dbraw/zinc/28/09/13/398280913.db2.gz OPCMMYWMONWKSR-GHMZBOCLSA-N 0 3 225.336 0.420 20 0 BCADHN CCN(C)C(=O)[C@H](C)NCC1(O)CCCC1 ZINC000231852808 342740232 /nfs/dbraw/zinc/74/02/32/342740232.db2.gz QMXBWDRTEXLGET-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC[C@@H](O)COC(C)C ZINC000231852639 342740245 /nfs/dbraw/zinc/74/02/45/342740245.db2.gz ZQDSUXUCQPMYFF-GHMZBOCLSA-N 0 3 246.351 0.229 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@H](C)c2cncnc2)C1 ZINC000630007650 361891693 /nfs/dbraw/zinc/89/16/93/361891693.db2.gz KHIZZOMJXPMXBX-ZYHUDNBSSA-N 0 3 248.330 0.791 20 0 BCADHN C[C@@H](CO)N(C)C(=O)CN(C)C1CCC1 ZINC000629991272 361876121 /nfs/dbraw/zinc/87/61/21/361876121.db2.gz TXTJMLKQBUMWGI-VIFPVBQESA-N 0 3 214.309 0.310 20 0 BCADHN Cn1cc(CNC[C@@H]2CCCOC2)nn1 ZINC000054860768 398284057 /nfs/dbraw/zinc/28/40/57/398284057.db2.gz JKEKXRLQOTXGOE-VIFPVBQESA-N 0 3 210.281 0.331 20 0 BCADHN C[C@@H](C(=O)NCC1(N(C)C)CC1)c1cncnc1 ZINC000630008402 361892856 /nfs/dbraw/zinc/89/28/56/361892856.db2.gz HQVYZZYTDBACDR-SNVBAGLBSA-N 0 3 248.330 0.791 20 0 BCADHN OC[C@@]1(NCc2cnc3ccccn23)CCOC1 ZINC000184184542 538968014 /nfs/dbraw/zinc/96/80/14/538968014.db2.gz NSDIRWSDLMBFKJ-ZDUSSCGKSA-N 0 3 247.298 0.575 20 0 BCADHN Cn1nncc1CN[C@H](CO)CC1CCC1 ZINC000309661362 342776422 /nfs/dbraw/zinc/77/64/22/342776422.db2.gz YAZDSHWHPISCCU-JTQLQIEISA-N 0 3 224.308 0.456 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)[C@H](O)C1CC1 ZINC000616386643 342751461 /nfs/dbraw/zinc/75/14/61/342751461.db2.gz YMAJOIHSAUSQNC-WDEREUQCSA-N 0 3 226.320 0.310 20 0 BCADHN COC[C@@H]1CCN1C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000630044638 361910600 /nfs/dbraw/zinc/91/06/00/361910600.db2.gz DJNUYDKGZWXHQV-RWMBFGLXSA-N 0 3 243.347 0.619 20 0 BCADHN CC1(C)CCN(CC(=O)N2CCNC2=O)CC1 ZINC000336343341 342801860 /nfs/dbraw/zinc/80/18/60/342801860.db2.gz RPIIZSQPRNVJIL-UHFFFAOYSA-N 0 3 239.319 0.660 20 0 BCADHN CN(C[C@H](O)C[C@@](C)(O)C1CC1)C1CC(O)C1 ZINC000630043504 361911553 /nfs/dbraw/zinc/91/15/53/361911553.db2.gz KXRVWGWROOMGHF-FIYWTHMPSA-N 0 3 243.347 0.354 20 0 BCADHN O[C@H](CN1CCCCC1)CC1(O)CCOCC1 ZINC000630046694 361911911 /nfs/dbraw/zinc/91/19/11/361911911.db2.gz XBYBJYLMHCHCNH-LBPRGKRZSA-N 0 3 243.347 0.765 20 0 BCADHN COCCNCCNC(=O)N1[C@H](C)CC[C@H]1C ZINC000418502371 192044236 /nfs/dbraw/zinc/04/42/36/192044236.db2.gz USPUSWXSKPUHNN-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN CN(CC(=O)N1CCC2(COC2)C1)C1CCC1 ZINC000630015608 361902377 /nfs/dbraw/zinc/90/23/77/361902377.db2.gz BKJLGCBTXRYPNK-UHFFFAOYSA-N 0 3 238.331 0.720 20 0 BCADHN COC[C@H](C)N1CCN2CCOC[C@H]2C1 ZINC000348763546 136238087 /nfs/dbraw/zinc/23/80/87/136238087.db2.gz NPOPFCVRUNPKRP-WDEREUQCSA-N 0 3 214.309 0.038 20 0 BCADHN COCCNCCNC(=O)N(C)CC(C)(C)C ZINC000418508856 192044956 /nfs/dbraw/zinc/04/49/56/192044956.db2.gz 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TVQPSNIQGPJZTN-WXHSDQCUSA-N 0 3 248.326 0.850 20 0 BCADHN C[C@@](O)(C[C@@H](O)CN1CCC[C@H](O)C1)C1CC1 ZINC000630042956 361912528 /nfs/dbraw/zinc/91/25/28/361912528.db2.gz RJGAIFOPZVQPRD-YNEHKIRRSA-N 0 3 243.347 0.355 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@H]1CCCOC1 ZINC000188476607 538979009 /nfs/dbraw/zinc/97/90/09/538979009.db2.gz LCXOWULQYZWJNY-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN COCCNCCNC(=O)N1CC=C(C)CC1 ZINC000418505328 192045100 /nfs/dbraw/zinc/04/51/00/192045100.db2.gz FCSHBYJXLUYJLQ-UHFFFAOYSA-N 0 3 241.335 0.584 20 0 BCADHN CC[C@H]1CCCN1C(=O)NCCNCCOC ZINC000418512714 192045359 /nfs/dbraw/zinc/04/53/59/192045359.db2.gz UKIGBSZXPUHMPM-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN COCCNCCNC(=O)N1CCCC[C@@H]1C ZINC000418514287 192045564 /nfs/dbraw/zinc/04/55/64/192045564.db2.gz WTYQXPNTHVCMAN-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN COCCN(C)CCCNC(=O)CSC ZINC000041966928 342821318 /nfs/dbraw/zinc/82/13/18/342821318.db2.gz PLAVAJIOFCTFDJ-UHFFFAOYSA-N 0 3 234.365 0.434 20 0 BCADHN CN(C)CCn1cc(-c2nccn2C)cn1 ZINC000630053382 361923513 /nfs/dbraw/zinc/92/35/13/361923513.db2.gz UFCXWGWFHBZFLZ-UHFFFAOYSA-N 0 3 219.292 0.845 20 0 BCADHN C[C@H](CO)NC[C@@](C)(O)C(F)(F)F ZINC000308326207 346865407 /nfs/dbraw/zinc/86/54/07/346865407.db2.gz GECLCUVPMDVILJ-PHDIDXHHSA-N 0 3 201.188 0.270 20 0 BCADHN COC[C@](C)(CO)NCC1=CCCOC1 ZINC000380336950 538989382 /nfs/dbraw/zinc/98/93/82/538989382.db2.gz QGZAFJRMJBDCDR-NSHDSACASA-N 0 3 215.293 0.320 20 0 BCADHN COCCNCCNC(=O)N(C)[C@@H]1CC1(C)C ZINC000418515788 192046198 /nfs/dbraw/zinc/04/61/98/192046198.db2.gz YOICLZVOKGTJBD-SNVBAGLBSA-N 0 3 243.351 0.662 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CCCO1 ZINC000066959357 361929896 /nfs/dbraw/zinc/92/98/96/361929896.db2.gz JIWHSSPJRVZTKV-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN CN(Cc1ccc(CO)o1)CC1CC(O)C1 ZINC000191156482 538991613 /nfs/dbraw/zinc/99/16/13/538991613.db2.gz YTCKCXFNPPRISK-UHFFFAOYSA-N 0 3 225.288 0.975 20 0 BCADHN C[C@@H]1CCN(Cc2cncnc2)[C@@H]1CO ZINC000191185256 538991806 /nfs/dbraw/zinc/99/18/06/538991806.db2.gz SFHUYQVMNAFJSV-MWLCHTKSSA-N 0 3 207.277 0.679 20 0 BCADHN Cc1ncccc1CN(C[C@@H](C)O)[C@@H](C)CO ZINC000191209758 538991825 /nfs/dbraw/zinc/99/18/25/538991825.db2.gz FDDHJANUMWGVTF-WDEREUQCSA-N 0 3 238.331 0.954 20 0 BCADHN CC(C)(CO)N1CCN(CC2CC2)CC1 ZINC000379704436 538979807 /nfs/dbraw/zinc/97/98/07/538979807.db2.gz WEBBLGMVXSRQCM-UHFFFAOYSA-N 0 3 212.337 0.785 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H](O)CC(F)(F)F ZINC000564928045 398291430 /nfs/dbraw/zinc/29/14/30/398291430.db2.gz GJVZYRNOZRSBHP-XLPZGREQSA-N 0 3 243.225 0.303 20 0 BCADHN COc1ncccc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000086467387 398291970 /nfs/dbraw/zinc/29/19/70/398291970.db2.gz BHNQSWFVTLVYHB-ZJUUUORDSA-N 0 3 249.314 0.913 20 0 BCADHN COc1ncccc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000086467389 398291986 /nfs/dbraw/zinc/29/19/86/398291986.db2.gz BHNQSWFVTLVYHB-UWVGGRQHSA-N 0 3 249.314 0.913 20 0 BCADHN Cn1nncc1CN[C@H](CO)CC1CC1 ZINC000379981743 538983446 /nfs/dbraw/zinc/98/34/46/538983446.db2.gz HULNNDSRPWMEKK-VIFPVBQESA-N 0 3 210.281 0.066 20 0 BCADHN CO[C@]1(CNCc2cc(C)[nH]n2)CCOC1 ZINC000381747681 539006505 /nfs/dbraw/zinc/00/65/05/539006505.db2.gz QJEQEQJDPRYRKN-NSHDSACASA-N 0 3 225.292 0.613 20 0 BCADHN CO[C@]1(CNCc2cc(C)n[nH]2)CCOC1 ZINC000381747681 539006506 /nfs/dbraw/zinc/00/65/06/539006506.db2.gz QJEQEQJDPRYRKN-NSHDSACASA-N 0 3 225.292 0.613 20 0 BCADHN C[C@H](NCCc1nnnn1C)c1ccco1 ZINC000381721515 539006638 /nfs/dbraw/zinc/00/66/38/539006638.db2.gz LZEQHSVZSQRZFN-QMMMGPOBSA-N 0 3 221.264 0.696 20 0 BCADHN CNc1cc2c(nn1)CCN(CCCF)C2 ZINC000381727463 539006676 /nfs/dbraw/zinc/00/66/76/539006676.db2.gz MXXBBBMNGOBMPW-UHFFFAOYSA-N 0 3 224.283 0.658 20 0 BCADHN CCOC1CC(O)(CNCc2cn[nH]c2)C1 ZINC000381239844 538996857 /nfs/dbraw/zinc/99/68/57/538996857.db2.gz ABXUHXQBDUTJKN-UHFFFAOYSA-N 0 3 225.292 0.429 20 0 BCADHN C[C@@H](NC[C@H]1CCCN1C)c1ncn(C)n1 ZINC000391960654 398299383 /nfs/dbraw/zinc/29/93/83/398299383.db2.gz MDESYISZMISTRA-NXEZZACHSA-N 0 3 223.324 0.560 20 0 BCADHN C[C@H](N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCCO1 ZINC000390428067 539021699 /nfs/dbraw/zinc/02/16/99/539021699.db2.gz NOAFBHJPYMCANJ-AXFHLTTASA-N 0 3 247.360 0.721 20 0 BCADHN CSC1(CN2C[C@@H]3[C@H](C2)OCCN3C)CC1 ZINC000335628852 136241346 /nfs/dbraw/zinc/24/13/46/136241346.db2.gz PLLHWBCXZDQLOZ-MNOVXSKESA-N 0 3 242.388 0.897 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cc[nH]n1 ZINC000525485143 259324773 /nfs/dbraw/zinc/32/47/73/259324773.db2.gz PRYKMJCRJAZWJB-NXEZZACHSA-N 0 3 236.319 0.899 20 0 BCADHN C[C@H](CO[C@H]1CCOC1)NC1CSC1 ZINC000389227230 539015444 /nfs/dbraw/zinc/01/54/44/539015444.db2.gz RATLGBYJVAIHFJ-SCZZXKLOSA-N 0 3 217.334 0.885 20 0 BCADHN CC(C)NC(=O)CN[C@H]1CN(C)C[C@@H]1C ZINC000389933936 539018684 /nfs/dbraw/zinc/01/86/84/539018684.db2.gz MFZKEQNLROXGRC-UWVGGRQHSA-N 0 3 213.325 0.051 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CN(C)C[C@@H]1C ZINC000389933937 539019104 /nfs/dbraw/zinc/01/91/04/539019104.db2.gz MFZKEQNLROXGRC-VHSXEESVSA-N 0 3 213.325 0.051 20 0 BCADHN C[C@@H](c1cnn(C)c1)N(C)CCC(=O)N(C)C ZINC000348842615 136242092 /nfs/dbraw/zinc/24/20/92/136242092.db2.gz IWMAPVDYIFLRBN-JTQLQIEISA-N 0 3 238.335 0.891 20 0 BCADHN CCCCOCCNC(=O)[C@H](N)C(C)C ZINC000040507649 344006309 /nfs/dbraw/zinc/00/63/09/344006309.db2.gz GYVXJVUBWXPJEL-SNVBAGLBSA-N 0 3 216.325 0.903 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(CC(=O)NC)cc1 ZINC000037027994 398300253 /nfs/dbraw/zinc/30/02/53/398300253.db2.gz DELSCPYTNIYKPN-NSHDSACASA-N 0 3 249.314 0.651 20 0 BCADHN C[C@H]1NCCN(C(=O)Cc2ccnn2C)[C@H]1C ZINC000335644620 136243550 /nfs/dbraw/zinc/24/35/50/136243550.db2.gz TYNQZWQDZMVNGV-ZJUUUORDSA-N 0 3 236.319 0.171 20 0 BCADHN Cn1cc(CCN2CCC[C@H](CO)C2)nn1 ZINC000625063381 342847655 /nfs/dbraw/zinc/84/76/55/342847655.db2.gz MXQZOZQPMZLABN-JTQLQIEISA-N 0 3 224.308 0.062 20 0 BCADHN OCCN(C[C@@H](O)CC1(O)CCC1)C1CC1 ZINC000625079662 342849474 /nfs/dbraw/zinc/84/94/74/342849474.db2.gz GYWJAMLJXXOJCP-NSHDSACASA-N 0 3 229.320 0.109 20 0 BCADHN OCCN(C[C@H](O)CC1(O)CCC1)C1CC1 ZINC000625079661 342849546 /nfs/dbraw/zinc/84/95/46/342849546.db2.gz GYWJAMLJXXOJCP-LLVKDONJSA-N 0 3 229.320 0.109 20 0 BCADHN Cn1cc(CCN2CCC(CO)CC2)nn1 ZINC000625079436 342849550 /nfs/dbraw/zinc/84/95/50/342849550.db2.gz GQFADAGOMDCKMC-UHFFFAOYSA-N 0 3 224.308 0.062 20 0 BCADHN CN(C[C@@H]1CCC(=O)N1)[C@H](CO)c1ccccc1 ZINC000649507880 398302779 /nfs/dbraw/zinc/30/27/79/398302779.db2.gz GMVHVINQDKFEPO-QWHCGFSZSA-N 0 3 248.326 0.930 20 0 BCADHN N[C@@H](C(=O)N[C@@H]1CCN(C2CC2)C1)C1CCC1 ZINC000399169991 398304551 /nfs/dbraw/zinc/30/45/51/398304551.db2.gz IACUWZSMJPLXCR-ZYHUDNBSSA-N 0 3 237.347 0.467 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000232667046 342868176 /nfs/dbraw/zinc/86/81/76/342868176.db2.gz ZXAYMIRZAREBEQ-NXEZZACHSA-N 0 3 214.309 0.668 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@@H](CO)[C@@H]1CC ZINC000385941636 342875866 /nfs/dbraw/zinc/87/58/66/342875866.db2.gz WEQXSUUQKMTILS-SRVKXCTJSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@H](CO)[C@@H]1CC ZINC000385941637 342875908 /nfs/dbraw/zinc/87/59/08/342875908.db2.gz WEQXSUUQKMTILS-TUAOUCFPSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@@H](CO)[C@H]1CC ZINC000385941635 342875941 /nfs/dbraw/zinc/87/59/41/342875941.db2.gz WEQXSUUQKMTILS-SDDRHHMPSA-N 0 3 242.363 0.994 20 0 BCADHN CCOC1CCN(CCc2cn(C)nn2)CC1 ZINC000625101123 342856638 /nfs/dbraw/zinc/85/66/38/342856638.db2.gz FZPUQVYBFUEKIQ-UHFFFAOYSA-N 0 3 238.335 0.859 20 0 BCADHN CC(C)(C)C(=O)NC[C@@H]1CCCCN1CCO ZINC000331300697 398311622 /nfs/dbraw/zinc/31/16/22/398311622.db2.gz DUMAMCWEFHPPLH-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN Cn1cc(CCN2CCC(CCO)CC2)nn1 ZINC000625150374 342894930 /nfs/dbraw/zinc/89/49/30/342894930.db2.gz FEGVDUPODKALHW-UHFFFAOYSA-N 0 3 238.335 0.452 20 0 BCADHN C[C@H](CNC(=O)CCCC(N)=O)N1CCCC1 ZINC000562343327 323017210 /nfs/dbraw/zinc/01/72/10/323017210.db2.gz DGKLKSRKRIDDJB-SNVBAGLBSA-N 0 3 241.335 0.243 20 0 BCADHN Nc1nc(N)nc(NC[C@@H]2CCC[C@H]2C2CC2)n1 ZINC000624275512 398317257 /nfs/dbraw/zinc/31/72/57/398317257.db2.gz WRKUJHCIFMXKIX-IUCAKERBSA-N 0 3 248.334 0.357 20 0 BCADHN Cc1nnc(N2CCNC[C@](C)(F)C2)nc1C ZINC000333930793 398317315 /nfs/dbraw/zinc/31/73/15/398317315.db2.gz ZLBSEXWCZFAKGD-NSHDSACASA-N 0 3 239.298 0.626 20 0 BCADHN COC[C@](C)(O)CNCc1cnc(C)s1 ZINC000379916947 365688174 /nfs/dbraw/zinc/68/81/74/365688174.db2.gz DCRQHZZTVPKRHR-SNVBAGLBSA-N 0 3 230.333 0.939 20 0 BCADHN CCO[C@@H](CN(CCO)CCOC)C1CC1 ZINC000625129818 342882514 /nfs/dbraw/zinc/88/25/14/342882514.db2.gz BIFLZQYTKQCUMX-LBPRGKRZSA-N 0 3 231.336 0.742 20 0 BCADHN CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1c[n-]nn1 ZINC000232865815 342886831 /nfs/dbraw/zinc/88/68/31/342886831.db2.gz GPQRITIYVGYSEO-SECBINFHSA-N 0 3 237.307 0.313 20 0 BCADHN CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cnn[n-]1 ZINC000232865815 342886832 /nfs/dbraw/zinc/88/68/32/342886832.db2.gz GPQRITIYVGYSEO-SECBINFHSA-N 0 3 237.307 0.313 20 0 BCADHN CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cn[n-]n1 ZINC000232865815 342886833 /nfs/dbraw/zinc/88/68/33/342886833.db2.gz GPQRITIYVGYSEO-SECBINFHSA-N 0 3 237.307 0.313 20 0 BCADHN OC[C@@H]1CCCN1CCOC1CCOCC1 ZINC000625139613 342889195 /nfs/dbraw/zinc/88/91/95/342889195.db2.gz WGLPSOSRJVYFMA-NSHDSACASA-N 0 3 229.320 0.639 20 0 BCADHN C[C@H](O)CN[C@@H]1CCCc2c1cnn2C ZINC000035601395 342889784 /nfs/dbraw/zinc/88/97/84/342889784.db2.gz ATHLHCMRHKGDJW-WCBMZHEXSA-N 0 3 209.293 0.768 20 0 BCADHN C[NH2+][C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000150111761 398314310 /nfs/dbraw/zinc/31/43/10/398314310.db2.gz OWAPJHYKENVPFV-VIFPVBQESA-N 0 3 220.272 0.826 20 0 BCADHN C[C@H](N)C(=O)NCCCOCC1CC1 ZINC000035661376 342890936 /nfs/dbraw/zinc/89/09/36/342890936.db2.gz LWDNKGHKNFBEFJ-QMMMGPOBSA-N 0 3 200.282 0.267 20 0 BCADHN COC[C@H]1CCCN(CCc2cn(C)nn2)C1 ZINC000625170721 342899775 /nfs/dbraw/zinc/89/97/75/342899775.db2.gz DVPSLPISYXQWHE-NSHDSACASA-N 0 3 238.335 0.716 20 0 BCADHN C[C@H]1CN(CCNCc2cn[nH]c2)CCO1 ZINC000390444412 398314793 /nfs/dbraw/zinc/31/47/93/398314793.db2.gz WVKFBTNJHFQHDD-JTQLQIEISA-N 0 3 224.308 0.220 20 0 BCADHN C[C@@H]1CN(CCNCc2cn[nH]c2)CCO1 ZINC000390444413 398315053 /nfs/dbraw/zinc/31/50/53/398315053.db2.gz WVKFBTNJHFQHDD-SNVBAGLBSA-N 0 3 224.308 0.220 20 0 BCADHN CC(C)[C@H](O)C(=O)NC1CCN(C)CC1 ZINC000336084980 398315096 /nfs/dbraw/zinc/31/50/96/398315096.db2.gz NRRZBTMSTYBFMM-JTQLQIEISA-N 0 3 214.309 0.214 20 0 BCADHN CC1(C)CCC[NH2+][C@H]1CNC(=O)c1c[n-]nn1 ZINC000232973914 342892343 /nfs/dbraw/zinc/89/23/43/342892343.db2.gz GPQRITIYVGYSEO-VIFPVBQESA-N 0 3 237.307 0.313 20 0 BCADHN CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cnn[n-]1 ZINC000232973914 342892344 /nfs/dbraw/zinc/89/23/44/342892344.db2.gz GPQRITIYVGYSEO-VIFPVBQESA-N 0 3 237.307 0.313 20 0 BCADHN CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cn[n-]n1 ZINC000232973914 342892345 /nfs/dbraw/zinc/89/23/45/342892345.db2.gz GPQRITIYVGYSEO-VIFPVBQESA-N 0 3 237.307 0.313 20 0 BCADHN COCCN(CCOC)C[C@H](O)CSC ZINC000187724835 259328438 /nfs/dbraw/zinc/32/84/38/259328438.db2.gz DEIHYOMQLPSOSL-JTQLQIEISA-N 0 3 237.365 0.305 20 0 BCADHN CCCCC(=O)NC[C@@H]1CNCCO1 ZINC000036284951 342907292 /nfs/dbraw/zinc/90/72/92/342907292.db2.gz VGVLYKCGHJMVSR-VIFPVBQESA-N 0 3 200.282 0.281 20 0 BCADHN CCN(CCCO)CCc1cn(C)nn1 ZINC000625197820 342908128 /nfs/dbraw/zinc/90/81/28/342908128.db2.gz MCEQONWXRYYGOH-UHFFFAOYSA-N 0 3 212.297 0.062 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC1CCOCC1 ZINC000036319722 342908890 /nfs/dbraw/zinc/90/88/90/342908890.db2.gz ONPYRBGCHKAAMY-SCZZXKLOSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@H](C)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000163472705 398323116 /nfs/dbraw/zinc/32/31/16/398323116.db2.gz MATFEQOMGGKEFR-IWSPIJDZSA-N 0 3 200.282 0.230 20 0 BCADHN CCCCNC(=O)CN1CC[C@H](CO)[C@@H]1C ZINC000386013558 342901306 /nfs/dbraw/zinc/90/13/06/342901306.db2.gz UTFGBXSLQTUQHU-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN CO[C@H](C)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000163472954 398323735 /nfs/dbraw/zinc/32/37/35/398323735.db2.gz MATFEQOMGGKEFR-XHNCKOQMSA-N 0 3 200.282 0.230 20 0 BCADHN CN(C[C@H](O)CC1(O)CCC1)C[C@@H](O)C1CC1 ZINC000625225267 342922012 /nfs/dbraw/zinc/92/20/12/342922012.db2.gz VBGDMUITFKDZJK-VXGBXAGGSA-N 0 3 243.347 0.355 20 0 BCADHN NC[C@@H](NC(=O)c1ccncc1)C(F)(F)F ZINC000401706483 488187387 /nfs/dbraw/zinc/18/73/87/488187387.db2.gz DVMBFYHVFSDDKP-SSDOTTSWSA-N 0 3 233.193 0.701 20 0 BCADHN CO[C@H](CNC(=O)[C@@H](N)C(C)C)C(C)C ZINC000261564841 536626016 /nfs/dbraw/zinc/62/60/16/536626016.db2.gz CTRJQWPIOWANMZ-ZJUUUORDSA-N 0 3 216.325 0.757 20 0 BCADHN Cc1c([C@H](C)NC(=O)[C@@H](C)N)cnn1C ZINC000037001426 342915364 /nfs/dbraw/zinc/91/53/64/342915364.db2.gz IHVZFJFAENIMSH-RQJHMYQMSA-N 0 3 210.281 0.253 20 0 BCADHN Cc1c([C@@H](C)NC(=O)[C@@H](C)N)cnn1C ZINC000037001425 342915391 /nfs/dbraw/zinc/91/53/91/342915391.db2.gz IHVZFJFAENIMSH-RNFRBKRXSA-N 0 3 210.281 0.253 20 0 BCADHN CN(CCc1cn(C)nn1)C[C@H](O)C1CC1 ZINC000625221288 342918520 /nfs/dbraw/zinc/91/85/20/342918520.db2.gz KPQZKBUHCZPCEA-NSHDSACASA-N 0 3 224.308 0.060 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCNc1ccccn1 ZINC000272405432 187335946 /nfs/dbraw/zinc/33/59/46/187335946.db2.gz ZWTHUOKWVIXULJ-NSHDSACASA-N 0 3 236.319 0.593 20 0 BCADHN COC(=O)c1cc(CNC[C@@H](C)N(C)C)on1 ZINC000602594833 349643020 /nfs/dbraw/zinc/64/30/20/349643020.db2.gz UNQWOYVDSLYCOO-MRVPVSSYSA-N 0 3 241.291 0.501 20 0 BCADHN CCCS(=O)(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000229067423 398327678 /nfs/dbraw/zinc/32/76/78/398327678.db2.gz LFHWICYHYFYKQZ-ZJUUUORDSA-N 0 3 234.365 0.608 20 0 BCADHN CC[C@H](N)C(=O)NCCCc1nc(C)no1 ZINC000494875872 529441279 /nfs/dbraw/zinc/44/12/79/529441279.db2.gz VLBZTHXMFJNKKT-QMMMGPOBSA-N 0 3 226.280 0.164 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000494870187 529441878 /nfs/dbraw/zinc/44/18/78/529441878.db2.gz XTEVTMMIXVFPGH-ZJUUUORDSA-N 0 3 237.307 0.179 20 0 BCADHN Cn1cc(CNCC[C@H]2CCCOC2)nn1 ZINC000527739742 262881641 /nfs/dbraw/zinc/88/16/41/262881641.db2.gz OFXOVWKMTWOGPE-SNVBAGLBSA-N 0 3 224.308 0.721 20 0 BCADHN COC(=O)c1cc(CNCC[C@H](C)O)[nH]c1C ZINC000602637759 349651288 /nfs/dbraw/zinc/65/12/88/349651288.db2.gz MMEXZDYRGQIRMM-QMMMGPOBSA-N 0 3 240.303 0.970 20 0 BCADHN CC[C@](C)(NC(=O)CN(C)C(C)C)C(=O)OC ZINC000354778165 398330095 /nfs/dbraw/zinc/33/00/95/398330095.db2.gz ZAJFESXKBWYERH-LBPRGKRZSA-N 0 3 244.335 0.785 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CO[C@@H](C)C1 ZINC000402125077 259330276 /nfs/dbraw/zinc/33/02/76/259330276.db2.gz HXFJBAFOGRMEJQ-GUBZILKMSA-N 0 3 235.349 0.577 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN1CC(C2CC2)C1 ZINC000642924285 398336827 /nfs/dbraw/zinc/33/68/27/398336827.db2.gz HLBVZELUONHDSC-GXFFZTMASA-N 0 3 243.347 0.741 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)[C@H](N)CCSC)C1 ZINC000234747224 342939946 /nfs/dbraw/zinc/93/99/46/342939946.db2.gz VZBWWTWCHVBOBN-IVZWLZJFSA-N 0 3 246.376 0.751 20 0 BCADHN COCCOC[C@@H](O)CNCc1cccs1 ZINC000234734000 342940596 /nfs/dbraw/zinc/94/05/96/342940596.db2.gz SNUQLNACKCPTLV-JTQLQIEISA-N 0 3 245.344 0.862 20 0 BCADHN C[C@H](F)CCN(C)[C@]1(CO)CCOC1 ZINC000351728826 136249981 /nfs/dbraw/zinc/24/99/81/136249981.db2.gz ASDNKLVSBAZOTC-UWVGGRQHSA-N 0 3 205.273 0.818 20 0 BCADHN CCCCN(CCC[C@@H](C)O)CC(N)=O ZINC000354877084 398331084 /nfs/dbraw/zinc/33/10/84/398331084.db2.gz YCGDERALIVYIAU-SNVBAGLBSA-N 0 3 216.325 0.735 20 0 BCADHN CCCCN(CCC[C@H](C)O)CC(N)=O ZINC000354877082 398331122 /nfs/dbraw/zinc/33/11/22/398331122.db2.gz YCGDERALIVYIAU-JTQLQIEISA-N 0 3 216.325 0.735 20 0 BCADHN CCN(C)CCNC(=O)N[C@H](C)COC ZINC000355112113 398331324 /nfs/dbraw/zinc/33/13/24/398331324.db2.gz RKJXYZJALQGCQM-SECBINFHSA-N 0 3 217.313 0.272 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H](C)COC ZINC000355112115 398331358 /nfs/dbraw/zinc/33/13/58/398331358.db2.gz RKJXYZJALQGCQM-VIFPVBQESA-N 0 3 217.313 0.272 20 0 BCADHN COC(=O)C1CCN(C[C@H](C)O)CC1 ZINC000037693505 342940975 /nfs/dbraw/zinc/94/09/75/342940975.db2.gz NWOGADVLJYAEQC-QMMMGPOBSA-N 0 3 201.266 0.252 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000011957774 346885885 /nfs/dbraw/zinc/88/58/85/346885885.db2.gz UYAMMGZTDJQBNR-LURJTMIESA-N 0 3 207.233 0.071 20 0 BCADHN CCc1nc(CN[C@@H]2CCCNC(=O)C2)n[nH]1 ZINC000392471309 398332154 /nfs/dbraw/zinc/33/21/54/398332154.db2.gz WELCOKSLIVRUJN-MRVPVSSYSA-N 0 3 237.307 0.125 20 0 BCADHN C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000128105570 398333851 /nfs/dbraw/zinc/33/38/51/398333851.db2.gz HKAKHVKRRWTEDU-JGVFFNPUSA-N 0 3 223.280 0.017 20 0 BCADHN C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000128105570 398333852 /nfs/dbraw/zinc/33/38/52/398333852.db2.gz HKAKHVKRRWTEDU-JGVFFNPUSA-N 0 3 223.280 0.017 20 0 BCADHN C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000128105570 398333853 /nfs/dbraw/zinc/33/38/53/398333853.db2.gz HKAKHVKRRWTEDU-JGVFFNPUSA-N 0 3 223.280 0.017 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)CC(=O)N1CCCC1 ZINC000037818195 398334578 /nfs/dbraw/zinc/33/45/78/398334578.db2.gz BMLQNOXRVUTMPW-NSHDSACASA-N 0 3 241.335 0.051 20 0 BCADHN CCC[C@H](N)C(=O)N1CCC(OC)CC1 ZINC000037507236 342938611 /nfs/dbraw/zinc/93/86/11/342938611.db2.gz SMYOGRRBQVBELB-JTQLQIEISA-N 0 3 214.309 0.751 20 0 BCADHN Cn1cc(CN[C@@H](CO)C(C)(C)C)cn1 ZINC000278948698 398341124 /nfs/dbraw/zinc/34/11/24/398341124.db2.gz YRMHHDDXQSPZDM-JTQLQIEISA-N 0 3 211.309 0.917 20 0 BCADHN Cc1cc(CN[C@@H]2CO[C@@H](C)C2)n(C)n1 ZINC000335425912 398341395 /nfs/dbraw/zinc/34/13/95/398341395.db2.gz MSBJUTIHFUXILR-UWVGGRQHSA-N 0 3 209.293 0.996 20 0 BCADHN CC[C@@H](C(N)=O)N(C)CCCn1ccnc1C ZINC000136313578 398342173 /nfs/dbraw/zinc/34/21/73/398342173.db2.gz LVKZJABCVPLGSW-NSHDSACASA-N 0 3 238.335 0.777 20 0 BCADHN O=C1NCC[C@H]1CCN1CCSCC1 ZINC000576812930 365691109 /nfs/dbraw/zinc/69/11/09/365691109.db2.gz XYLXOBYYYGHLKF-VIFPVBQESA-N 0 3 214.334 0.561 20 0 BCADHN Cc1n[nH]cc1CNCCC(=O)N(C)C ZINC000037751906 342951390 /nfs/dbraw/zinc/95/13/90/342951390.db2.gz KHFXVZVLIFALSL-UHFFFAOYSA-N 0 3 210.281 0.286 20 0 BCADHN COCc1ccccc1CNC(=O)CN ZINC000037762881 342952121 /nfs/dbraw/zinc/95/21/21/342952121.db2.gz FJBFGZRHCKFNAK-UHFFFAOYSA-N 0 3 208.261 0.408 20 0 BCADHN CCCCN1CCC(S(N)(=O)=O)CC1 ZINC000367128395 136253015 /nfs/dbraw/zinc/25/30/15/136253015.db2.gz AFOACAMYERJWSM-UHFFFAOYSA-N 0 3 220.338 0.539 20 0 BCADHN Cn1cc(NC(=O)NC[C@H]2CCCN2C)nn1 ZINC000576812223 365690841 /nfs/dbraw/zinc/69/08/41/365690841.db2.gz FHUVKVUWLFPSKW-MRVPVSSYSA-N 0 3 238.295 0.031 20 0 BCADHN COC[C@@H](C)CN1CCC[C@@H]1C(N)=O ZINC000189541869 346897916 /nfs/dbraw/zinc/89/79/16/346897916.db2.gz MSUDLVWOAWQKSU-DTWKUNHWSA-N 0 3 200.282 0.219 20 0 BCADHN Cn1cc(NC(=O)NC[C@@H]2CCCN2C)nn1 ZINC000576812224 365690958 /nfs/dbraw/zinc/69/09/58/365690958.db2.gz FHUVKVUWLFPSKW-QMMMGPOBSA-N 0 3 238.295 0.031 20 0 BCADHN COC(=O)C1(C)CN(C[C@@H](OC)C2CC2)C1 ZINC000602693508 349690818 /nfs/dbraw/zinc/69/08/18/349690818.db2.gz SWEDAHVYLYRRBZ-SNVBAGLBSA-N 0 3 227.304 0.906 20 0 BCADHN NC1(C(=O)N[C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000638696631 352534371 /nfs/dbraw/zinc/53/43/71/352534371.db2.gz VRLLEUIKNLSFNQ-BDAKNGLRSA-N 0 3 210.277 0.161 20 0 BCADHN CC(C)N1CC[C@H](N2C[C@@H](C)[C@@H](O)C2)C1=O ZINC000351804361 136253816 /nfs/dbraw/zinc/25/38/16/136253816.db2.gz AFTZBTCSTIBANU-VWYCJHECSA-N 0 3 226.320 0.308 20 0 BCADHN C[C@@H](N)C(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000037802885 342954635 /nfs/dbraw/zinc/95/46/35/342954635.db2.gz LCPBDUXUZBASGI-SNVBAGLBSA-N 0 3 249.314 0.238 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CCN(C(C)C)CC1 ZINC000019687730 187206209 /nfs/dbraw/zinc/20/62/09/187206209.db2.gz CBOGWHJZRVWRJA-LBPRGKRZSA-N 0 3 241.379 0.912 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)C(N)C(F)(F)F ZINC000352910157 187206817 /nfs/dbraw/zinc/20/68/17/187206817.db2.gz FXAFZHPYWIDWMK-NKWVEPMBSA-N 0 3 242.241 0.399 20 0 BCADHN CC(C)N(CCN(C)C)c1ccc2nnnn2n1 ZINC000302233483 187207008 /nfs/dbraw/zinc/20/70/08/187207008.db2.gz ZBYPTSDFPBARSS-UHFFFAOYSA-N 0 3 249.322 0.296 20 0 BCADHN COC(=O)c1cc(CNC/C=C\CO)[nH]c1C ZINC000602709221 349702640 /nfs/dbraw/zinc/70/26/40/349702640.db2.gz ICUZZBXFNWLUIE-ARJAWSKDSA-N 0 3 238.287 0.748 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](O)C[C@H]1C ZINC000351816595 136255388 /nfs/dbraw/zinc/25/53/88/136255388.db2.gz TZNNXEMGCXNRTJ-ZJUUUORDSA-N 0 3 214.309 0.310 20 0 BCADHN C/C=C\C[C@H](CO)NC(=O)CN(C)C(C)C ZINC000354208446 187210766 /nfs/dbraw/zinc/21/07/66/187210766.db2.gz HBWYSTVYXXSTEE-ISALQUGTSA-N 0 3 228.336 0.770 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000354739443 187211088 /nfs/dbraw/zinc/21/10/88/187211088.db2.gz YMCIFVTXJWQRHE-WOPDTQHZSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@H](C(=O)NC(C)(C)C)N1CCNCC1 ZINC000019977180 342965663 /nfs/dbraw/zinc/96/56/63/342965663.db2.gz CZHQSNXHWHWGSD-SECBINFHSA-N 0 3 213.325 0.195 20 0 BCADHN COC(=O)c1[nH]c(CN[C@H]2C[C@H](O)C2)cc1C ZINC000602717535 349707924 /nfs/dbraw/zinc/70/79/24/349707924.db2.gz NVXAZGKJJOBXGO-CZMCAQCFSA-N 0 3 238.287 0.723 20 0 BCADHN CC(C)[C@H](CO)NC(=O)C12CCCN1CCC2 ZINC000355653979 187212721 /nfs/dbraw/zinc/21/27/21/187212721.db2.gz ARRNHBHWQPFVSC-NSHDSACASA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@](O)(C(=O)N1CCN2CCC[C@H]2C1)C1CC1 ZINC000335901387 136259087 /nfs/dbraw/zinc/25/90/87/136259087.db2.gz DBCLENVQRRIMGF-AAEUAGOBSA-N 0 3 238.331 0.454 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@H]([C@@H](C)O)C1)N(C)C ZINC000357094342 187213214 /nfs/dbraw/zinc/21/32/14/187213214.db2.gz MDSIZSUZGZTQHA-GRYCIOLGSA-N 0 3 242.363 0.802 20 0 BCADHN CC(C)N(C)CC(=O)NCCC1(O)CCC1 ZINC000357139598 187213689 /nfs/dbraw/zinc/21/36/89/187213689.db2.gz RJAWOVFXWSMIFD-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN Cc1cc(C)cc(NC(=O)[C@H]2C[C@@H](O)CN2)c1 ZINC000020434353 342985356 /nfs/dbraw/zinc/98/53/56/342985356.db2.gz XEXMEMWDMUBMSH-VXGBXAGGSA-N 0 3 234.299 0.965 20 0 BCADHN Cc1ccc(F)cc1NC(=O)[C@@H]1C[C@@H](O)CN1 ZINC000020434356 342985374 /nfs/dbraw/zinc/98/53/74/342985374.db2.gz AYQGQXKFVLGZOV-KOLCDFICSA-N 0 3 238.262 0.795 20 0 BCADHN Cc1ccc(F)c(NC(=O)[C@H]2C[C@H](O)CN2)c1 ZINC000020471926 342986269 /nfs/dbraw/zinc/98/62/69/342986269.db2.gz YTYXIBAKKKSRTE-GZMMTYOYSA-N 0 3 238.262 0.795 20 0 BCADHN CC(=O)CCCC(=O)NC[C@H](C)N(C)C ZINC000357862181 187214069 /nfs/dbraw/zinc/21/40/69/187214069.db2.gz KCHZOZTXQAHSQM-VIFPVBQESA-N 0 3 214.309 0.812 20 0 BCADHN C[C@@H](O)CNCc1ccc2c(c1)OCCO2 ZINC000020876108 342996808 /nfs/dbraw/zinc/99/68/08/342996808.db2.gz ZTZZBXSLWULHKB-SECBINFHSA-N 0 3 223.272 0.928 20 0 BCADHN CO[C@H](C)[C@@H](C)NC[C@@H](C)S(C)(=O)=O ZINC000308633377 259339998 /nfs/dbraw/zinc/33/99/98/259339998.db2.gz ZVWIOZYJNYBOJN-IWSPIJDZSA-N 0 3 223.338 0.433 20 0 BCADHN Cc1nc(CN(C)CCN2CCCC2)no1 ZINC000162493705 349730907 /nfs/dbraw/zinc/73/09/07/349730907.db2.gz DTIXBYZBFCAAAT-UHFFFAOYSA-N 0 3 224.308 0.906 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C(C)(C)N)CCO1 ZINC000235301570 343009286 /nfs/dbraw/zinc/00/92/86/343009286.db2.gz GYIIFBXVMBAPEH-HTQZYQBOSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@H]1CC[C@@H]1NC(=O)N(C)CCN(C)C ZINC000358271672 187215299 /nfs/dbraw/zinc/21/52/99/187215299.db2.gz DTNLCHJIKCTSPU-UWVGGRQHSA-N 0 3 213.325 0.988 20 0 BCADHN CC[C@H](C(=O)NCCC[C@H](C)O)N(C)C ZINC000447619642 529605931 /nfs/dbraw/zinc/60/59/31/529605931.db2.gz HPEUSGZTKKCJBA-VHSXEESVSA-N 0 3 216.325 0.604 20 0 BCADHN CCN(C#N)CCN[C@H]1CCC[C@H]1C(=O)NC ZINC000602820347 349760911 /nfs/dbraw/zinc/76/09/11/349760911.db2.gz JTFVNMBQJLYLGX-MNOVXSKESA-N 0 3 238.335 0.294 20 0 BCADHN CCN(C#N)CCN(C)CCCCCO ZINC000602821963 349761694 /nfs/dbraw/zinc/76/16/94/349761694.db2.gz PZBWENQJTCOFAH-UHFFFAOYSA-N 0 3 213.325 0.884 20 0 BCADHN CCN(C#N)CCN[C@H](COC)[C@H]1CCCO1 ZINC000602823034 349763107 /nfs/dbraw/zinc/76/31/07/349763107.db2.gz UKOQCKLPAXGWGO-VXGBXAGGSA-N 0 3 241.335 0.573 20 0 BCADHN CCN(C#N)CCN(C)C1(CO)CCOCC1 ZINC000602822805 349763333 /nfs/dbraw/zinc/76/33/33/349763333.db2.gz BKENPLLUFGSFBZ-UHFFFAOYSA-N 0 3 241.335 0.263 20 0 BCADHN CC(C)[C@H](O)C(=O)NC[C@H](C)N(C)C ZINC000362492741 187219162 /nfs/dbraw/zinc/21/91/62/187219162.db2.gz OZWIMSRVEHJJOA-IUCAKERBSA-N 0 3 202.298 0.070 20 0 BCADHN CC(C)[C@H](O)C(=O)NC[C@@H](C)N(C)C ZINC000362492739 187219331 /nfs/dbraw/zinc/21/93/31/187219331.db2.gz OZWIMSRVEHJJOA-BDAKNGLRSA-N 0 3 202.298 0.070 20 0 BCADHN CN(C(=O)[C@@H]1C[C@@H]1N)[C@@H]1CCSC1 ZINC000050458404 343021868 /nfs/dbraw/zinc/02/18/68/343021868.db2.gz JNWXKLMHCQKSGY-PRJMDXOYSA-N 0 3 200.307 0.298 20 0 BCADHN C(NC1COC1)[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000367480018 187220627 /nfs/dbraw/zinc/22/06/27/187220627.db2.gz HBELMIRZKAUDMW-WCQYABFASA-N 0 3 240.347 0.476 20 0 BCADHN CC(C)CC[C@@H](O)CN1CC[C@H](O)C1 ZINC000361274004 187217913 /nfs/dbraw/zinc/21/79/13/187217913.db2.gz PWLYDRWABNLSHU-MNOVXSKESA-N 0 3 201.310 0.850 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2)CCO1 ZINC000235370760 343011442 /nfs/dbraw/zinc/01/14/42/343011442.db2.gz WASKCASVUHJIEC-VWYCJHECSA-N 0 3 226.320 0.812 20 0 BCADHN CCN(C#N)CCN[C@@H](CO)C(C)(C)C ZINC000602818257 349758480 /nfs/dbraw/zinc/75/84/80/349758480.db2.gz CQBHVLAMLQMIHF-JTQLQIEISA-N 0 3 213.325 0.786 20 0 BCADHN CC1(C)CC[C@H](N2CCO[C@H](C(N)=O)C2)C1 ZINC000368633722 187221375 /nfs/dbraw/zinc/22/13/75/187221375.db2.gz 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20 0 BCADHN C[C@@H]1CN(C(=O)/C=C/c2cnccn2)[C@@H](C)CN1 ZINC000272652154 187336888 /nfs/dbraw/zinc/33/68/88/187336888.db2.gz ZNXNGFAJWABTML-YHROSDCASA-N 0 3 246.314 0.699 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)c1cncnc1 ZINC000273598315 187336905 /nfs/dbraw/zinc/33/69/05/187336905.db2.gz FEUQIDWPWNZBLX-UHFFFAOYSA-N 0 3 236.319 0.889 20 0 BCADHN COC(=O)C(C)(C)[C@@H]1CCCN(CCO)C1 ZINC000093278701 343049297 /nfs/dbraw/zinc/04/92/97/343049297.db2.gz SYEMDODTHZRLRK-SNVBAGLBSA-N 0 3 229.320 0.890 20 0 BCADHN CC(C)COCCN1CCO[C@H](CN(C)C)C1 ZINC000375974568 187226094 /nfs/dbraw/zinc/22/60/94/187226094.db2.gz KKDUZWKDPFUBBG-CYBMUJFWSA-N 0 3 244.379 0.921 20 0 BCADHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCCO)C1 ZINC000377657277 187226476 /nfs/dbraw/zinc/22/64/76/187226476.db2.gz UMUXAVFOCRCCTI-LBPRGKRZSA-N 0 3 246.326 0.698 20 0 BCADHN Cc1nccn1CCNC[C@@H](O)C(F)(F)F ZINC000235791439 343059752 /nfs/dbraw/zinc/05/97/52/343059752.db2.gz IYWICQANIUMWDD-MRVPVSSYSA-N 0 3 237.225 0.704 20 0 BCADHN CC(C)(O)CN[C@@H](CS(C)(=O)=O)C1CC1 ZINC000331780342 187229937 /nfs/dbraw/zinc/22/99/37/187229937.db2.gz MMJOLLHCPMZGRL-VIFPVBQESA-N 0 3 235.349 0.170 20 0 BCADHN Cc1n[nH]cc1CNC1CCC(C(N)=O)CC1 ZINC000037152738 187229736 /nfs/dbraw/zinc/22/97/36/187229736.db2.gz XTZMYMCJXSYNPF-UHFFFAOYSA-N 0 3 236.319 0.852 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NC[C@@H](O)C(C)(C)C ZINC000324309491 187229804 /nfs/dbraw/zinc/22/98/04/187229804.db2.gz YSCPIQNXUCTINV-NXEZZACHSA-N 0 3 230.352 0.883 20 0 BCADHN COC[C@@]1(C)CCN([C@H]2CCCNC2=O)C1 ZINC000336206650 536824765 /nfs/dbraw/zinc/82/47/65/536824765.db2.gz UHQUFUXQTIBJFP-JQWIXIFHSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H]1C[C@@H](N(C)C(=O)CN(C)C)CCN1C ZINC000175100613 362026192 /nfs/dbraw/zinc/02/61/92/362026192.db2.gz AAODAFGBWNIPJZ-MNOVXSKESA-N 0 3 227.352 0.489 20 0 BCADHN CC[C@@H](O)CN1CCN(C)C(C)(C)C1 ZINC000082484283 362026524 /nfs/dbraw/zinc/02/65/24/362026524.db2.gz XTTBGEPYXRGVSB-SNVBAGLBSA-N 0 3 200.326 0.783 20 0 BCADHN CC(=O)NCCCNCc1cc(C)no1 ZINC000383520604 362028401 /nfs/dbraw/zinc/02/84/01/362028401.db2.gz XZRUXPKYHMOGSW-UHFFFAOYSA-N 0 3 211.265 0.599 20 0 BCADHN CCOCCNC[C@H](C)S(C)(=O)=O ZINC000576863815 365706720 /nfs/dbraw/zinc/70/67/20/365706720.db2.gz SKUWPCCYOQYIKE-QMMMGPOBSA-N 0 3 209.311 0.046 20 0 BCADHN [NH3+]C[C@H](NC(=O)c1c[n-]nn1)C1CCCC1 ZINC000236260108 343088558 /nfs/dbraw/zinc/08/85/58/343088558.db2.gz KDVAYQFWYKNJHS-QMMMGPOBSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+]C[C@H](NC(=O)c1cnn[n-]1)C1CCCC1 ZINC000236260108 343088560 /nfs/dbraw/zinc/08/85/60/343088560.db2.gz KDVAYQFWYKNJHS-QMMMGPOBSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+]C[C@H](NC(=O)c1cn[n-]n1)C1CCCC1 ZINC000236260108 343088562 /nfs/dbraw/zinc/08/85/62/343088562.db2.gz KDVAYQFWYKNJHS-QMMMGPOBSA-N 0 3 223.280 0.052 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCCOC(C)(C)C1 ZINC000380093820 343090230 /nfs/dbraw/zinc/09/02/30/343090230.db2.gz HHXKNWQCIRWJNJ-GFCCVEGCSA-N 0 3 245.319 0.411 20 0 BCADHN Cc1nccn1-c1ccc(NC(=O)CN)cn1 ZINC000037005265 187230235 /nfs/dbraw/zinc/23/02/35/187230235.db2.gz FBDRQWNTBPFKKN-UHFFFAOYSA-N 0 3 231.259 0.473 20 0 BCADHN O=C(c1ccc(=O)[nH]c1)N1CCN2CCC[C@H]2C1 ZINC000037841494 187230320 /nfs/dbraw/zinc/23/03/20/187230320.db2.gz LYMHGJXWVHBGMF-NSHDSACASA-N 0 3 247.298 0.295 20 0 BCADHN OCCCCNC[C@@H](O)C(F)(F)F ZINC000236497396 343096960 /nfs/dbraw/zinc/09/69/60/343096960.db2.gz CIRDXMVRDHFDOR-ZCFIWIBFSA-N 0 3 201.188 0.272 20 0 BCADHN C[C@H](CNC(=O)c1cnn(C)c1)N(C)C ZINC000046273054 343102647 /nfs/dbraw/zinc/10/26/47/343102647.db2.gz AKIQFAMPIWZMQF-MRVPVSSYSA-N 0 3 210.281 0.100 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H]1COCCO1 ZINC000125975502 187231944 /nfs/dbraw/zinc/23/19/44/187231944.db2.gz COTKMUAXPWZXLZ-LLVKDONJSA-N 0 3 225.292 0.234 20 0 BCADHN CC(C)NCC(=O)NCCc1cscn1 ZINC000082626700 362072275 /nfs/dbraw/zinc/07/22/75/362072275.db2.gz WBAHDFRKYBHXRI-UHFFFAOYSA-N 0 3 227.333 0.800 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCCO1)N(C)C ZINC000046274619 343106993 /nfs/dbraw/zinc/10/69/93/343106993.db2.gz 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OZEBLVQCIMNYNA-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](CC)[C@@H]1CCCO1 ZINC000236930447 343116821 /nfs/dbraw/zinc/11/68/21/343116821.db2.gz NAHWCPIYKSOLOR-GUBZILKMSA-N 0 3 214.309 0.798 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@@H]1CC[C@H](O)C1 ZINC000189285185 136270725 /nfs/dbraw/zinc/27/07/25/136270725.db2.gz NUYGVKVAJSQMFP-AXFHLTTASA-N 0 3 249.376 0.560 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1ccc2nncn2c1 ZINC000576876901 365711245 /nfs/dbraw/zinc/71/12/45/365711245.db2.gz UTZYRGHCRYBUIN-JTQLQIEISA-N 0 3 233.275 0.651 20 0 BCADHN CN(C)c1ccc(NC(=O)CNC2CC2)nc1 ZINC000237096461 343123244 /nfs/dbraw/zinc/12/32/44/343123244.db2.gz VOTFLVBPYIGUFD-UHFFFAOYSA-N 0 3 234.303 0.838 20 0 BCADHN CC[C@@H](N)C(=O)NCCCc1c[nH]nc1C ZINC000050183139 343136225 /nfs/dbraw/zinc/13/62/25/343136225.db2.gz QLUYCSPJTNEIAD-SNVBAGLBSA-N 0 3 224.308 0.504 20 0 BCADHN Cc1n[nH]cc1CCCNC(=O)CNC1CC1 ZINC000050183141 343136420 /nfs/dbraw/zinc/13/64/20/343136420.db2.gz HLGVIQXVHTWZMC-UHFFFAOYSA-N 0 3 236.319 0.519 20 0 BCADHN COc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)c([O-])c1 ZINC000050228735 343138329 /nfs/dbraw/zinc/13/83/29/343138329.db2.gz URMQPXNRLXABQU-MRVPVSSYSA-N 0 3 236.271 0.574 20 0 BCADHN O=C(CC[NH2+]C1CC1)Nc1ncccc1[O-] ZINC000129428138 343177577 /nfs/dbraw/zinc/17/75/77/343177577.db2.gz HRKIBUXLWNQFHK-UHFFFAOYSA-N 0 3 221.260 0.868 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NCC(=O)N1CCCCC1 ZINC000129511265 343177792 /nfs/dbraw/zinc/17/77/92/343177792.db2.gz WPONZQXBWKXRTF-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000127691883 343178635 /nfs/dbraw/zinc/17/86/35/343178635.db2.gz DIAZVWHEBGIBNF-ZJUUUORDSA-N 0 3 236.319 0.457 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCC(CS(N)(=O)=O)CC1 ZINC000625271294 343178899 /nfs/dbraw/zinc/17/88/99/343178899.db2.gz WBNIKMWXZIVPSA-KOLCDFICSA-N 0 3 246.376 0.643 20 0 BCADHN CC(C)N(C)C[C@@H](C)Nc1nccn(C)c1=O ZINC000290607691 187241443 /nfs/dbraw/zinc/24/14/43/187241443.db2.gz FJTCYGYPEWCEKX-SNVBAGLBSA-N 0 3 238.335 0.921 20 0 BCADHN COC(=O)CCCNC1(C(N)=O)CCCCC1 ZINC000078659188 136273230 /nfs/dbraw/zinc/27/32/30/136273230.db2.gz XMNBTOFWUUDKJW-UHFFFAOYSA-N 0 3 242.319 0.717 20 0 BCADHN Cc1cc(CNCC2(O)CCC2)n(C)n1 ZINC000131212338 343182999 /nfs/dbraw/zinc/18/29/99/343182999.db2.gz JJDXPVISQRNZFA-UHFFFAOYSA-N 0 3 209.293 0.733 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCOC[C@H]1c1ccccc1 ZINC000576976548 365739798 /nfs/dbraw/zinc/73/97/98/365739798.db2.gz BQHJSCWOWJTHAL-XQQFMLRXSA-N 0 3 246.310 0.934 20 0 BCADHN CO[C@H]1C[C@@H](C(N)=O)N(C[C@@H]2C[C@@H]2C)C1 ZINC000408032900 136273284 /nfs/dbraw/zinc/27/32/84/136273284.db2.gz DMNPBFGZVAXHFA-XKNYDFJKSA-N 0 3 212.293 0.217 20 0 BCADHN Cc1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cn1 ZINC000122588460 343160385 /nfs/dbraw/zinc/16/03/85/343160385.db2.gz OOISCBZPCUHNKH-LBPRGKRZSA-N 0 3 248.330 0.105 20 0 BCADHN Cc1occc1C(=O)N1CCN(C)C[C@@H]1CN ZINC000122653808 343161245 /nfs/dbraw/zinc/16/12/45/343161245.db2.gz KVVWEZJDANRYRU-JTQLQIEISA-N 0 3 237.303 0.303 20 0 BCADHN CCN(C)CCNc1ccc(C(=O)NC)nn1 ZINC000074743776 187242201 /nfs/dbraw/zinc/24/22/01/187242201.db2.gz ORQNJTAONURSEZ-UHFFFAOYSA-N 0 3 237.307 0.200 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400088768 259354148 /nfs/dbraw/zinc/35/41/48/259354148.db2.gz WFIGBLISZGSNKI-MMVSWEMESA-N 0 3 240.347 0.903 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400088775 259354178 /nfs/dbraw/zinc/35/41/78/259354178.db2.gz WFIGBLISZGSNKI-QQFIATSDSA-N 0 3 240.347 0.903 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000602867425 349799189 /nfs/dbraw/zinc/79/91/89/349799189.db2.gz GQICMQVSYYEGIA-AIGMQPKJSA-N 0 3 229.345 0.617 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CO[C@@H](C)C1 ZINC000576969094 365737401 /nfs/dbraw/zinc/73/74/01/365737401.db2.gz UXGWOISYVHMIEL-GUBZILKMSA-N 0 3 214.309 0.478 20 0 BCADHN COC(=O)c1coc(CNCC[C@@H](C)O)c1 ZINC000126917664 343171364 /nfs/dbraw/zinc/17/13/64/343171364.db2.gz YLGOCRCZRDZPER-MRVPVSSYSA-N 0 3 227.260 0.927 20 0 BCADHN Cc1cc(CNC(=O)[C@H]2C[C@H](C)CCN2)no1 ZINC000127056345 343171829 /nfs/dbraw/zinc/17/18/29/343171829.db2.gz OMIMQQQKWIHOIQ-LDYMZIIASA-N 0 3 237.303 0.987 20 0 BCADHN COc1c(N)ncnc1NCCN(C)C ZINC000134812254 343195649 /nfs/dbraw/zinc/19/56/49/343195649.db2.gz RYZLIBGEQJKAQN-UHFFFAOYSA-N 0 3 211.269 0.041 20 0 BCADHN CCC[C@H](O)CNC(=O)CNC1CC1 ZINC000154405848 343198275 /nfs/dbraw/zinc/19/82/75/343198275.db2.gz AHLNXBXYVIPTIB-VIFPVBQESA-N 0 3 200.282 0.016 20 0 BCADHN OCCC1(CNC[C@H](O)C(F)(F)F)CC1 ZINC000156795873 343198873 /nfs/dbraw/zinc/19/88/73/343198873.db2.gz FMIXCADWJPVQED-ZETCQYMHSA-N 0 3 227.226 0.662 20 0 BCADHN CC[C@@H](N)C(=O)NC1CCSCC1 ZINC000157572215 343199728 /nfs/dbraw/zinc/19/97/28/343199728.db2.gz KHLOWUFRPRDWPF-MRVPVSSYSA-N 0 3 202.323 0.736 20 0 BCADHN CS[C@H](C)CNC(=O)CNC1CC1 ZINC000157944723 343200287 /nfs/dbraw/zinc/20/02/87/343200287.db2.gz QOXOEOSOKKQKHW-SSDOTTSWSA-N 0 3 202.323 0.606 20 0 BCADHN CCCNC(=O)CN[C@@H]1C[C@@H](O)C1(C)C ZINC000163331014 343206272 /nfs/dbraw/zinc/20/62/72/343206272.db2.gz UZHZXVBWLVEHKI-RKDXNWHRSA-N 0 3 214.309 0.262 20 0 BCADHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)C(=O)NC1CC1 ZINC000163594149 343207315 /nfs/dbraw/zinc/20/73/15/343207315.db2.gz ROMCKJSOXGCSTF-SFGNSQDASA-N 0 3 226.320 0.403 20 0 BCADHN CSCCN(C)C(=O)C[C@@H]1CSCCN1 ZINC000167399729 343209265 /nfs/dbraw/zinc/20/92/65/343209265.db2.gz VCMSGGOZDZONPM-SECBINFHSA-N 0 3 248.417 0.903 20 0 BCADHN CCCCNC(=O)CN[C@@H]1C[C@@H](O)C1(C)C ZINC000168203116 343209991 /nfs/dbraw/zinc/20/99/91/343209991.db2.gz XSEKZMPIXUVBIE-NXEZZACHSA-N 0 3 228.336 0.652 20 0 BCADHN Cn1cc(CCN2CC[C@H](C(F)F)C2)nn1 ZINC000625273904 343213210 /nfs/dbraw/zinc/21/32/10/343213210.db2.gz JURCPNOMNBGOLU-QMMMGPOBSA-N 0 3 230.262 0.945 20 0 BCADHN C[C@H]1[C@H](C)N(CCc2cn(C)nn2)CCN1C ZINC000625287098 343221337 /nfs/dbraw/zinc/22/13/37/343221337.db2.gz JNUJHXCMYSHRGJ-QWRGUYRKSA-N 0 3 237.351 0.382 20 0 BCADHN NC1(C(=O)NCCCOCC(F)(F)F)CC1 ZINC000237783003 343188786 /nfs/dbraw/zinc/18/87/86/343188786.db2.gz GHIHHVZLIRUOBY-UHFFFAOYSA-N 0 3 240.225 0.563 20 0 BCADHN C[C@@H](NC(=O)C[C@H]1CNCCO1)C(C)(C)C ZINC000133452018 343191290 /nfs/dbraw/zinc/19/12/90/343191290.db2.gz SVVNGZHOWNPWSX-ZJUUUORDSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@@H](NC(=O)N[C@@H](C)CN(C)C)C(F)F ZINC000641004733 362119336 /nfs/dbraw/zinc/11/93/36/362119336.db2.gz SQVNBPSKOJLSOP-NKWVEPMBSA-N 0 3 223.267 0.889 20 0 BCADHN Cc1cccnc1C(=O)NC[C@@H]1CNCCO1 ZINC000134260598 343193884 /nfs/dbraw/zinc/19/38/84/343193884.db2.gz XRFLSZHUIDHBQM-JTQLQIEISA-N 0 3 235.287 0.108 20 0 BCADHN COC1(C)CCN(CCc2cn(C)nn2)CC1 ZINC000625296336 343224770 /nfs/dbraw/zinc/22/47/70/343224770.db2.gz BJBDBIQCLDSODA-UHFFFAOYSA-N 0 3 238.335 0.859 20 0 BCADHN CC(C)[C@H](CO)NCc1cc(C(N)=O)cs1 ZINC000086573805 136281036 /nfs/dbraw/zinc/28/10/36/136281036.db2.gz HWAJDJYSBHBPQD-JTQLQIEISA-N 0 3 242.344 0.954 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)CNC1CC1 ZINC000310039194 343227347 /nfs/dbraw/zinc/22/73/47/343227347.db2.gz WTZTWIZVBDJUJN-WCBMZHEXSA-N 0 3 214.309 0.262 20 0 BCADHN CC[C@H]1CN(C[C@@H]2CNCCO2)CCO1 ZINC000043802245 488208188 /nfs/dbraw/zinc/20/81/88/488208188.db2.gz WRQCSOHUMULEQT-QWRGUYRKSA-N 0 3 214.309 0.086 20 0 BCADHN CCO[C@@H](CN(C)[C@]1(CO)CCOC1)C1CC1 ZINC000625321608 343234297 /nfs/dbraw/zinc/23/42/97/343234297.db2.gz QEUQBGGYPJRUBC-STQMWFEESA-N 0 3 243.347 0.885 20 0 BCADHN COc1cncc(CN[C@H](CCO)C(C)C)n1 ZINC000625321261 343234331 /nfs/dbraw/zinc/23/43/31/343234331.db2.gz ZYXOLWJIFWVYIS-LLVKDONJSA-N 0 3 239.319 0.982 20 0 BCADHN COc1cncc(CN[C@@H](CCO)C(C)C)n1 ZINC000625321262 343234347 /nfs/dbraw/zinc/23/43/47/343234347.db2.gz ZYXOLWJIFWVYIS-NSHDSACASA-N 0 3 239.319 0.982 20 0 BCADHN CCNC(=O)NC(=O)CN1CCC[C@@H](CC)C1 ZINC000030142544 136278281 /nfs/dbraw/zinc/27/82/81/136278281.db2.gz YMRKVXBMBYYNRY-SNVBAGLBSA-N 0 3 241.335 0.954 20 0 BCADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCc1cn(C)nn1 ZINC000625354751 343246964 /nfs/dbraw/zinc/24/69/64/343246964.db2.gz LNLNGKLZWMBZLS-PEGIJTEDSA-N 0 3 238.335 0.591 20 0 BCADHN C[C@H]1CCN(CCc2cn(C)nn2)[C@H]1CO ZINC000625358829 343248760 /nfs/dbraw/zinc/24/87/60/343248760.db2.gz QBPAZHGWRPFHIW-ONGXEEELSA-N 0 3 224.308 0.060 20 0 BCADHN CC[C@H](C(N)=O)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000641022290 362138687 /nfs/dbraw/zinc/13/86/87/362138687.db2.gz WBGLBGMBHAMMJP-BDAKNGLRSA-N 0 3 239.323 0.760 20 0 BCADHN C[C@@H](c1ccccc1)[C@H](O)CNC(CO)CO ZINC000569723590 323038860 /nfs/dbraw/zinc/03/88/60/323038860.db2.gz LYHUOGBWXXZRDR-GXFFZTMASA-N 0 3 239.315 0.094 20 0 BCADHN CCN(C[C@H](O)COC)C[C@H]1CCCO1 ZINC000068891116 343251732 /nfs/dbraw/zinc/25/17/32/343251732.db2.gz OMMJZNYKEFJMRF-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN O=S1(=O)CCC[C@@H](NC[C@@H]2CCCO2)C1 ZINC000068939470 343253359 /nfs/dbraw/zinc/25/33/59/343253359.db2.gz CYLZKMLJXCMPFM-ZJUUUORDSA-N 0 3 233.333 0.332 20 0 BCADHN C[C@@H]1CCN(CCN2CCOCC2)C[C@@H]1CO ZINC000621367210 343283680 /nfs/dbraw/zinc/28/36/80/343283680.db2.gz XDZVYMZVBLAVSL-CHWSQXEVSA-N 0 3 242.363 0.269 20 0 BCADHN CC[C@@H](N)c1cn(Cc2cc(C)ncn2)nn1 ZINC000641043322 362154309 /nfs/dbraw/zinc/15/43/09/362154309.db2.gz PNSJCCRKVYPBBR-SNVBAGLBSA-N 0 3 232.291 0.835 20 0 BCADHN CSCCCNC(=O)[C@H](N)C(C)C ZINC000069013793 343256821 /nfs/dbraw/zinc/25/68/21/343256821.db2.gz QZODYPHDYAZMKY-MRVPVSSYSA-N 0 3 204.339 0.839 20 0 BCADHN CCO[C@@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000043802907 488209780 /nfs/dbraw/zinc/20/97/80/488209780.db2.gz VJYRSVBADVJKNG-NEPJUHHUSA-N 0 3 228.336 0.476 20 0 BCADHN CN(C[C@@H](O)CC1(O)CCC1)CC1(CO)CC1 ZINC000625362567 343258472 /nfs/dbraw/zinc/25/84/72/343258472.db2.gz YBOZOZMIBRZYTR-NSHDSACASA-N 0 3 243.347 0.357 20 0 BCADHN Cc1cccc(CNC(=O)CN2CCNCC2)c1 ZINC000019976582 343261556 /nfs/dbraw/zinc/26/15/56/343261556.db2.gz IXPYMAFOCOPPJS-UHFFFAOYSA-N 0 3 247.342 0.516 20 0 BCADHN C[C@@H](C(=O)NCc1ccccc1)N1CCNCC1 ZINC000019976988 343262399 /nfs/dbraw/zinc/26/23/99/343262399.db2.gz INYHHRPJSAPXSN-LBPRGKRZSA-N 0 3 247.342 0.597 20 0 BCADHN C[C@@H](C(=O)Nc1ccccc1)N1CCNCC1 ZINC000019977250 343262572 /nfs/dbraw/zinc/26/25/72/343262572.db2.gz QXDFGTIRQWUJGQ-NSHDSACASA-N 0 3 233.315 0.919 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000019510380 187252792 /nfs/dbraw/zinc/25/27/92/187252792.db2.gz ZGVRDNHZUCTPOC-ZJUUUORDSA-N 0 3 241.335 0.084 20 0 BCADHN Cc1cc(Cn2cc(CCN(C)C)nn2)nn1C ZINC000641037830 362150063 /nfs/dbraw/zinc/15/00/63/362150063.db2.gz LEJMHEMEZVCXFT-UHFFFAOYSA-N 0 3 248.334 0.472 20 0 BCADHN CCC[C@@H](N)c1cn([C@@H]2CCCNC2=O)nn1 ZINC000641051840 362161721 /nfs/dbraw/zinc/16/17/21/362161721.db2.gz PHCVEAFXMDZFGB-PSASIEDQSA-N 0 3 237.307 0.529 20 0 BCADHN Cc1cccc(CC(=O)NC[C@@H]2CNCCO2)c1 ZINC000052127646 343319517 /nfs/dbraw/zinc/31/95/17/343319517.db2.gz WLMLOOSUONWATP-ZDUSSCGKSA-N 0 3 248.326 0.642 20 0 BCADHN CC(C)[C@@](C)(NC[C@H]1CCCO1)C(N)=O ZINC000037942911 187254130 /nfs/dbraw/zinc/25/41/30/187254130.db2.gz BDJWNXCTGGUTBP-MWLCHTKSSA-N 0 3 214.309 0.655 20 0 BCADHN CCC[C@H](N)C(=O)NCCCn1ccnc1 ZINC000036873104 343326008 /nfs/dbraw/zinc/32/60/08/343326008.db2.gz NKNLVOYRIIVBBJ-JTQLQIEISA-N 0 3 224.308 0.517 20 0 BCADHN C[C@@H](CN1CCOCC1)NCc1cccnc1 ZINC000036932801 343328109 /nfs/dbraw/zinc/32/81/09/343328109.db2.gz CCLNNGXQPCXMJK-LBPRGKRZSA-N 0 3 235.331 0.892 20 0 BCADHN CCC[C@H](N)C(=O)Nc1cnn(CCOC)c1 ZINC000037043739 343331597 /nfs/dbraw/zinc/33/15/97/343331597.db2.gz FLBDOBPRHKBJEK-JTQLQIEISA-N 0 3 240.307 0.595 20 0 BCADHN C[C@H]1CSCCN1CCOCCO ZINC000069761337 343291062 /nfs/dbraw/zinc/29/10/62/343291062.db2.gz WSKSUYOCCAYTIA-VIFPVBQESA-N 0 3 205.323 0.433 20 0 BCADHN CC1(CN2CCN3CCOC[C@H]3C2)COC1 ZINC000348767873 136297961 /nfs/dbraw/zinc/29/79/61/136297961.db2.gz XYTCQRJYPVHGMG-LLVKDONJSA-N 0 3 226.320 0.039 20 0 BCADHN CNC(=O)CN[C@H]1CCO[C@H](C(C)C)C1 ZINC000069860619 343293205 /nfs/dbraw/zinc/29/32/05/343293205.db2.gz AKKYLNRQBOIWLG-UWVGGRQHSA-N 0 3 214.309 0.526 20 0 BCADHN CC(C)C(=O)NCCN(C)C[C@@H]1CCOC1 ZINC000347960767 136293415 /nfs/dbraw/zinc/29/34/15/136293415.db2.gz RNZZWPOKJMZBPI-NSHDSACASA-N 0 3 228.336 0.727 20 0 BCADHN C[C@H](CO)NCc1cc2ccccc2[nH]c1=O ZINC000035602248 343299194 /nfs/dbraw/zinc/29/91/94/343299194.db2.gz FKCCFHRFODMWEO-SECBINFHSA-N 0 3 232.283 0.999 20 0 BCADHN C[C@H](CO)NC(=O)c1ccc(CN(C)C)cc1 ZINC000035608983 343300538 /nfs/dbraw/zinc/30/05/38/343300538.db2.gz PPJMUMIBZNNLAA-SNVBAGLBSA-N 0 3 236.315 0.859 20 0 BCADHN C[C@H](O)CNC(=O)c1ccc(CN(C)C)cc1 ZINC000035609237 343300567 /nfs/dbraw/zinc/30/05/67/343300567.db2.gz AGHUOMLQTMVKLV-JTQLQIEISA-N 0 3 236.315 0.859 20 0 BCADHN C[C@@H](CNC(=O)NCC1COC1)N(C)C1CC1 ZINC000623725510 343300916 /nfs/dbraw/zinc/30/09/16/343300916.db2.gz ASHVMTSKFKBIBV-VIFPVBQESA-N 0 3 241.335 0.415 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2cn(C)cn2)nn1 ZINC000641053243 362162482 /nfs/dbraw/zinc/16/24/82/362162482.db2.gz CRGDBUVSBYHLSI-SNVBAGLBSA-N 0 3 234.307 0.860 20 0 BCADHN Cc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2)cc1F ZINC000020434369 343305584 /nfs/dbraw/zinc/30/55/84/343305584.db2.gz PMBRGYDWPREQCV-MWLCHTKSSA-N 0 3 238.262 0.795 20 0 BCADHN Cc1cc(C)cc(NC(=O)[C@@H]2C[C@@H](O)CN2)c1 ZINC000020434352 343305846 /nfs/dbraw/zinc/30/58/46/343305846.db2.gz XEXMEMWDMUBMSH-NEPJUHHUSA-N 0 3 234.299 0.965 20 0 BCADHN COc1ccc(CNC[C@H](O)CO)cc1 ZINC000037852162 187253706 /nfs/dbraw/zinc/25/37/06/187253706.db2.gz HZBVZRONHZHWJK-JTQLQIEISA-N 0 3 211.261 0.138 20 0 BCADHN CC(C)OC[C@H](O)CN1CCCOCC1 ZINC000070191464 343311488 /nfs/dbraw/zinc/31/14/88/343311488.db2.gz VNIXXPNIELLYSK-LLVKDONJSA-N 0 3 217.309 0.495 20 0 BCADHN CCc1nc(CNCc2cnc(C)n2C)n[nH]1 ZINC000584064822 343312678 /nfs/dbraw/zinc/31/26/78/343312678.db2.gz OUYSIRLQVOSZPT-UHFFFAOYSA-N 0 3 234.307 0.699 20 0 BCADHN CCCN(CCN(C)C)C(=O)COC ZINC000070228649 343313589 /nfs/dbraw/zinc/31/35/89/343313589.db2.gz MNUCLFFXKCMBIM-UHFFFAOYSA-N 0 3 202.298 0.433 20 0 BCADHN CCOCC(=O)NC1CCN(C)CC1 ZINC000070224661 343314912 /nfs/dbraw/zinc/31/49/12/343314912.db2.gz AXADBFBBFLCHMC-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN CCOCC(=O)NC1CCN(CC)CC1 ZINC000070250353 343315886 /nfs/dbraw/zinc/31/58/86/343315886.db2.gz PAPJFHGPKORJHZ-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN COCC(=O)NCCN1CCCCCC1 ZINC000070252419 343315911 /nfs/dbraw/zinc/31/59/11/343315911.db2.gz VYXDAUQWGMBIQC-UHFFFAOYSA-N 0 3 214.309 0.625 20 0 BCADHN COCC(=O)N[C@@H](C)CN1CCCCC1 ZINC000070254731 343316414 /nfs/dbraw/zinc/31/64/14/343316414.db2.gz LZPABEWQOBVJMN-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN Cc1ccc(OCCN(C)C(=O)CN)cc1 ZINC000037802319 343355874 /nfs/dbraw/zinc/35/58/74/343355874.db2.gz LDCDBSJDAOQXQZ-UHFFFAOYSA-N 0 3 222.288 0.791 20 0 BCADHN COC(=O)CCCN(C)C(=O)CNC(C)C ZINC000037813222 343356170 /nfs/dbraw/zinc/35/61/70/343356170.db2.gz BFRWIWOWSCADTB-UHFFFAOYSA-N 0 3 230.308 0.396 20 0 BCADHN CC1(C)CN(C(=O)[C@H](N)c2ccccc2)CCN1 ZINC000335627038 136299662 /nfs/dbraw/zinc/29/96/62/136299662.db2.gz PHDHPCHVKJUGEA-GFCCVEGCSA-N 0 3 247.342 0.897 20 0 BCADHN CC1(C)CN(C(=O)[C@H](N)C(F)(F)F)CCN1 ZINC000335627416 136299961 /nfs/dbraw/zinc/29/99/61/136299961.db2.gz RETUZPUMMVNWRV-LURJTMIESA-N 0 3 239.241 0.086 20 0 BCADHN CC1(C)CN(C(=O)C(N)C(F)(F)F)CCN1 ZINC000335627416 136299962 /nfs/dbraw/zinc/29/99/62/136299962.db2.gz RETUZPUMMVNWRV-LURJTMIESA-N 0 3 239.241 0.086 20 0 BCADHN Cc1cccc(C)c1NC(=O)C(=O)NC1CNC1 ZINC000335635132 136300750 /nfs/dbraw/zinc/30/07/50/136300750.db2.gz DAMWHPAKDFRSSO-UHFFFAOYSA-N 0 3 247.298 0.330 20 0 BCADHN CCc1cnc(CNC[C@H]2CNCCO2)s1 ZINC000234227284 343373670 /nfs/dbraw/zinc/37/36/70/343373670.db2.gz YAWNGTPZTLCJKB-SECBINFHSA-N 0 3 241.360 0.784 20 0 BCADHN CCn1cc(CNCCc2cncn2C)cn1 ZINC000401808567 343376327 /nfs/dbraw/zinc/37/63/27/343376327.db2.gz ROQWTRQSIRWEBF-UHFFFAOYSA-N 0 3 233.319 0.969 20 0 BCADHN CC[C@@H](COC)N[C@H]1CCS(=O)(=O)C1 ZINC000070623639 343335431 /nfs/dbraw/zinc/33/54/31/343335431.db2.gz IUKUZBUYDACHIP-IUCAKERBSA-N 0 3 221.322 0.188 20 0 BCADHN CC[C@@H](COC)N[C@@H](C)C(=O)NC(C)C ZINC000070625536 343335818 /nfs/dbraw/zinc/33/58/18/343335818.db2.gz NGBGOPVLUVQPDT-UWVGGRQHSA-N 0 3 216.325 0.914 20 0 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ZINC000071023442 343342559 /nfs/dbraw/zinc/34/25/59/343342559.db2.gz PDHZXEJGMVOUCG-AEJSXWLSSA-N 0 3 214.309 0.655 20 0 BCADHN Cc1cccc(NC(=O)C(=O)NC2CNC2)c1C ZINC000335638160 136303051 /nfs/dbraw/zinc/30/30/51/136303051.db2.gz SIJLEXMJJRXIAB-UHFFFAOYSA-N 0 3 247.298 0.330 20 0 BCADHN C[C@@H]1CN(Cc2ccn(C)n2)[C@@H](C)CN1C ZINC000335643791 136303828 /nfs/dbraw/zinc/30/38/28/136303828.db2.gz CUZITIZTTGCPSM-MNOVXSKESA-N 0 3 222.336 0.945 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cnn2c1CCC2 ZINC000335644080 136304019 /nfs/dbraw/zinc/30/40/19/136304019.db2.gz OKJHJNVACSZKGF-VHSXEESVSA-N 0 3 248.330 0.652 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccn(C)n1 ZINC000335643794 136304035 /nfs/dbraw/zinc/30/40/35/136304035.db2.gz CUZITIZTTGCPSM-WDEREUQCSA-N 0 3 222.336 0.945 20 0 BCADHN Cc1ccc(CNC(=O)CCOC2CNC2)cn1 ZINC000349024192 136317186 /nfs/dbraw/zinc/31/71/86/136317186.db2.gz DKDFJPCEANGDQO-UHFFFAOYSA-N 0 3 249.314 0.385 20 0 BCADHN CC(C)[C@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000069685306 187258142 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/nfs/dbraw/zinc/25/03/92/362250392.db2.gz XWCPLGOSYRHSES-VIFPVBQESA-N 0 3 232.291 0.835 20 0 BCADHN C[C@@H]1CCN(CC(=O)NC(C)(C)CCO)C1 ZINC000584181929 343770084 /nfs/dbraw/zinc/77/00/84/343770084.db2.gz MLEWDUKLMHLDHZ-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H]1CN(CCc2cn(C)nn2)C[C@H](C)N1C ZINC000625448999 343773378 /nfs/dbraw/zinc/77/33/78/343773378.db2.gz XGVTUXUBUMMJPA-PHIMTYICSA-N 0 3 237.351 0.382 20 0 BCADHN CO[C@H](CNC(C)(C)C(=O)N(C)C)C1CC1 ZINC000584228284 343775457 /nfs/dbraw/zinc/77/54/57/343775457.db2.gz FNDULAGHIAPDSX-SNVBAGLBSA-N 0 3 228.336 0.868 20 0 BCADHN Cc1nc(N)sc1C(=O)NC[C@@H](C)N(C)C ZINC000055174412 187272260 /nfs/dbraw/zinc/27/22/60/187272260.db2.gz GSCYRILETWNKQK-ZCFIWIBFSA-N 0 3 242.348 0.714 20 0 BCADHN CCOC[C@@H](C)N[C@H](C)CS(=O)(=O)CC ZINC000089638858 343748133 /nfs/dbraw/zinc/74/81/33/343748133.db2.gz DBULTLSREZXPET-NXEZZACHSA-N 0 3 237.365 0.824 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000576463388 343751155 /nfs/dbraw/zinc/75/11/55/343751155.db2.gz MMORXKVDUCMZOH-MMWGEVLESA-N 0 3 226.320 0.798 20 0 BCADHN CC[C@@H](O)CN1CC[C@](O)(C(F)(F)F)C1 ZINC000309089696 346963889 /nfs/dbraw/zinc/96/38/89/346963889.db2.gz CXEPSTXPKMELEG-HTQZYQBOSA-N 0 3 227.226 0.756 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cccc(N(C)C)n1 ZINC000570391526 323058225 /nfs/dbraw/zinc/05/82/25/323058225.db2.gz ZOWDSGSGWBYDHZ-MRVPVSSYSA-N 0 3 238.291 0.060 20 0 BCADHN Cn1cc(CCN2CCC[C@H](O)CC2)nn1 ZINC000625450018 343777820 /nfs/dbraw/zinc/77/78/20/343777820.db2.gz SXZYEIQELKPGIV-NSHDSACASA-N 0 3 224.308 0.204 20 0 BCADHN CN1CC[C@@H](CSc2nncn2C)C1 ZINC000187656808 343765538 /nfs/dbraw/zinc/76/55/38/343765538.db2.gz AZSLWYUIZVFOJS-MRVPVSSYSA-N 0 3 212.322 0.859 20 0 BCADHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccccn1 ZINC000624414572 343778733 /nfs/dbraw/zinc/77/87/33/343778733.db2.gz UGVGQJDAZNQWAI-DTWKUNHWSA-N 0 3 241.316 0.110 20 0 BCADHN COCC[C@@H](C)N1CCN2C(=O)CC[C@H]2C1 ZINC000346450163 537813816 /nfs/dbraw/zinc/81/38/16/537813816.db2.gz IGPHIIVVRHPHHT-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN CC(C)(C)OC(=O)CCN1C[C@@H]2C[C@]2(O)C1 ZINC000603090844 349866852 /nfs/dbraw/zinc/86/68/52/349866852.db2.gz SELPEDGNXDDJOM-CABZTGNLSA-N 0 3 227.304 0.785 20 0 BCADHN CC[C@H](N[C@@H]1CSC[C@@H]1C)C(N)=O ZINC000336655142 537820473 /nfs/dbraw/zinc/82/04/73/537820473.db2.gz OLEIDRFBRYNWJQ-BIIVOSGPSA-N 0 3 202.323 0.591 20 0 BCADHN CCN1CCN(C(=O)[C@@H](N)CC(F)F)CC1 ZINC000309199689 346982383 /nfs/dbraw/zinc/98/23/83/346982383.db2.gz MYTDUQYQEGZNFA-QMMMGPOBSA-N 0 3 235.278 0.133 20 0 BCADHN CC(C)[C@H](C)N(C)C(=O)NC[C@H]1CNCCO1 ZINC000418760767 192066706 /nfs/dbraw/zinc/06/67/06/192066706.db2.gz HHIXJCCYFOBMMJ-WDEREUQCSA-N 0 3 243.351 0.661 20 0 BCADHN Cc1ccc(CNC(=O)[C@@H](N)C(C)C)cn1 ZINC000059929556 178595075 /nfs/dbraw/zinc/59/50/75/178595075.db2.gz GIQOHGGTNHUVLL-NSHDSACASA-N 0 3 221.304 0.990 20 0 BCADHN CCO[C@@H](CN1CCOC[C@H](O)C1)C1CC1 ZINC000625452644 343828453 /nfs/dbraw/zinc/82/84/53/343828453.db2.gz VAEPXSZNMYULPE-NEPJUHHUSA-N 0 3 229.320 0.495 20 0 BCADHN CCO[C@@H](CN1CCOC[C@@H](O)C1)C1CC1 ZINC000625452646 343828865 /nfs/dbraw/zinc/82/88/65/343828865.db2.gz VAEPXSZNMYULPE-RYUDHWBXSA-N 0 3 229.320 0.495 20 0 BCADHN CSC[C@H](CCO)NC1CSC1 ZINC000393334800 343830371 /nfs/dbraw/zinc/83/03/71/343830371.db2.gz ZUKUSGVXNISSKH-ZETCQYMHSA-N 0 3 207.364 0.805 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)C=Cc1c[nH]cn1 ZINC000492812701 529900591 /nfs/dbraw/zinc/90/05/91/529900591.db2.gz NKVOVMVHLBUKDA-UTCJRWHESA-N 0 3 248.330 0.976 20 0 BCADHN CC(C)N1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC000051536058 349876082 /nfs/dbraw/zinc/87/60/82/349876082.db2.gz ZELPCRUJDYGCAF-UHFFFAOYSA-N 0 3 249.358 0.911 20 0 BCADHN CNC(=O)OC[C@@H]1CCCCN1C[C@H](C)O ZINC000496071331 529892331 /nfs/dbraw/zinc/89/23/31/529892331.db2.gz XJFFDLUWTWEOAR-UWVGGRQHSA-N 0 3 230.308 0.578 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)Cc1cn[nH]c1 ZINC000678298244 488238628 /nfs/dbraw/zinc/23/86/28/488238628.db2.gz MEIGPGNKDHUFDG-QMMMGPOBSA-N 0 3 210.281 0.224 20 0 BCADHN CN(CC(C)(C)C)C(=O)NC[C@@H]1CNCCO1 ZINC000418760759 192066584 /nfs/dbraw/zinc/06/65/84/192066584.db2.gz HGXOYUADVNFSFQ-JTQLQIEISA-N 0 3 243.351 0.662 20 0 BCADHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCC1CC1 ZINC000418757399 192066601 /nfs/dbraw/zinc/06/66/01/192066601.db2.gz FRJFXDFZHIEOGW-JTQLQIEISA-N 0 3 241.335 0.002 20 0 BCADHN C[C@@H](O)CCN(C)CCn1ccccc1=O ZINC000128412987 346998056 /nfs/dbraw/zinc/99/80/56/346998056.db2.gz JULJGGGADCZWBE-LLVKDONJSA-N 0 3 224.304 0.551 20 0 BCADHN C[C@@H]1C[C@@H](CO)CN(CCc2cn(C)nn2)C1 ZINC000625477542 343881013 /nfs/dbraw/zinc/88/10/13/343881013.db2.gz GOUWFSRHRNRPSD-GHMZBOCLSA-N 0 3 238.335 0.308 20 0 BCADHN CC(C)(C)CNC(=O)CN[C@@H]1C[C@H](O)C1(C)C ZINC000625459351 343862386 /nfs/dbraw/zinc/86/23/86/343862386.db2.gz USPZMGRAALMVJM-ZJUUUORDSA-N 0 3 242.363 0.898 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C[C@@H](O)CC1(O)CCC1 ZINC000625461503 343863982 /nfs/dbraw/zinc/86/39/82/343863982.db2.gz GCFGWKWZQGSUDI-OUAUKWLOSA-N 0 3 229.320 0.108 20 0 BCADHN CN(CCN1CCCC1)C[C@H]1CN(C)C(=O)O1 ZINC000496512550 529908378 /nfs/dbraw/zinc/90/83/78/529908378.db2.gz LMLUUXDAZDFHCB-NSHDSACASA-N 0 3 241.335 0.465 20 0 BCADHN Cc1nccnc1CN[C@H]1CCCC[C@@H]1C(N)=O ZINC000621722183 343868299 /nfs/dbraw/zinc/86/82/99/343868299.db2.gz NPPDOHDTUVBXLX-QWRGUYRKSA-N 0 3 248.330 0.919 20 0 BCADHN C[C@@H]1CC[C@H](C)N1C(=O)NC[C@H]1CNCCO1 ZINC000418770100 192067097 /nfs/dbraw/zinc/06/70/97/192067097.db2.gz QMFNHAIWZKPRDM-OUAUKWLOSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H]1CCN(C(=O)NC[C@@H]2CNCCO2)[C@H]1C ZINC000418770512 192067205 /nfs/dbraw/zinc/06/72/05/192067205.db2.gz QWOLVXOBVHVMNY-VWYCJHECSA-N 0 3 241.335 0.415 20 0 BCADHN CC[C@H](C(=O)OC)n1cc(CCN(C)C)nn1 ZINC000603191090 349881936 /nfs/dbraw/zinc/88/19/36/349881936.db2.gz JCUHZDZZILPGKM-SNVBAGLBSA-N 0 3 240.307 0.506 20 0 BCADHN CC(C)(F)CNC[C@@H](O)COC1CCOCC1 ZINC000634723551 343888049 /nfs/dbraw/zinc/88/80/49/343888049.db2.gz XAEFUPWMIHNRNW-SNVBAGLBSA-N 0 3 249.326 0.881 20 0 BCADHN CN(CC[C@@H]1CCCO1)C[C@H]1CN(C)C(=O)O1 ZINC000495662795 529930969 /nfs/dbraw/zinc/93/09/69/529930969.db2.gz WXONKKJNCSCACI-QWRGUYRKSA-N 0 3 242.319 0.938 20 0 BCADHN CN(CC[C@H]1CCCO1)C[C@@H]1CN(C)C(=O)O1 ZINC000495662793 529932277 /nfs/dbraw/zinc/93/22/77/529932277.db2.gz WXONKKJNCSCACI-GHMZBOCLSA-N 0 3 242.319 0.938 20 0 BCADHN CCO[C@H](CN(C)CCNC(C)=O)C1CC1 ZINC000625507251 343898474 /nfs/dbraw/zinc/89/84/74/343898474.db2.gz GYSSSFKRGMRWHR-GFCCVEGCSA-N 0 3 228.336 0.869 20 0 BCADHN Cn1cc(CCN2CC[C@@H]3OCC[C@@H]3C2)nn1 ZINC000625506344 343898936 /nfs/dbraw/zinc/89/89/36/343898936.db2.gz NFMKEGHQCPXHHN-PWSUYJOCSA-N 0 3 236.319 0.468 20 0 BCADHN Cn1cc(CCNCc2cn[nH]c2)cn1 ZINC000393608294 343900499 /nfs/dbraw/zinc/90/04/99/343900499.db2.gz KDKBNJIFUDVHRG-UHFFFAOYSA-N 0 3 205.265 0.476 20 0 BCADHN O=c1ccccn1CCN1CCC[C@H](CO)C1 ZINC000096832970 343905914 /nfs/dbraw/zinc/90/59/14/343905914.db2.gz DHPYPQYKUGBWQX-LBPRGKRZSA-N 0 3 236.315 0.553 20 0 BCADHN CC[C@@H](O)CN1CCN(CCOC)CC1 ZINC000106382492 347013777 /nfs/dbraw/zinc/01/37/77/347013777.db2.gz MJWALIBQFGZPDG-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN CC(C)COC[C@H](O)CNCc1cn[nH]c1 ZINC000309632818 343938664 /nfs/dbraw/zinc/93/86/64/343938664.db2.gz RNRYDZRFZNNYKY-LLVKDONJSA-N 0 3 227.308 0.533 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@H]1CCCC(=O)N1 ZINC000683933939 488246307 /nfs/dbraw/zinc/24/63/07/488246307.db2.gz VYRFFCPVARIMDW-SNVBAGLBSA-N 0 3 236.319 0.785 20 0 BCADHN O[C@@H](CN[C@@H]1COC[C@@H]1O)CC1CCCC1 ZINC000634725400 343945497 /nfs/dbraw/zinc/94/54/97/343945497.db2.gz RMHKGRJZWMFALN-UTUOFQBUSA-N 0 3 229.320 0.277 20 0 BCADHN Cc1ccc(CNC[C@@]2(O)CCOC2)nc1 ZINC000126176032 178612122 /nfs/dbraw/zinc/61/21/22/178612122.db2.gz BHQWICWJOGXPRY-LBPRGKRZSA-N 0 3 222.288 0.631 20 0 BCADHN Cn1cnc2c1ncnc2NC[C@@H]1CCCN1C ZINC000624502658 343912831 /nfs/dbraw/zinc/91/28/31/343912831.db2.gz DTLOGWPQTWTTAA-VIFPVBQESA-N 0 3 246.318 0.869 20 0 BCADHN C[C@@H](O)CN(C[C@@H](O)CC1(O)CCC1)C1CC1 ZINC000625519373 343916716 /nfs/dbraw/zinc/91/67/16/343916716.db2.gz VCOYJPSUXGWKPH-PWSUYJOCSA-N 0 3 243.347 0.498 20 0 BCADHN CC[C@](C)(N)c1cn([C@@H](C)c2n[nH]c(C)n2)nn1 ZINC000641178908 362255255 /nfs/dbraw/zinc/25/52/55/362255255.db2.gz DYNDMODHWIKEJT-CPCISQLKSA-N 0 3 249.322 0.898 20 0 BCADHN CN(CCc1cn(C)nn1)CC1=CCCOC1 ZINC000625536118 343924819 /nfs/dbraw/zinc/92/48/19/343924819.db2.gz FRCZKBCSKCAMGT-UHFFFAOYSA-N 0 3 236.319 0.636 20 0 BCADHN C[C@@H]1CC[C@@H](Cn2cc(CCN(C)C)nn2)O1 ZINC000641189466 362264031 /nfs/dbraw/zinc/26/40/31/362264031.db2.gz GJSLZTUWZWFSRB-PWSUYJOCSA-N 0 3 238.335 0.950 20 0 BCADHN CCNC(=O)NC1CCN(C2CC2)CC1 ZINC000048395446 343935229 /nfs/dbraw/zinc/93/52/29/343935229.db2.gz YSLCVNRRRICUFO-UHFFFAOYSA-N 0 3 211.309 0.932 20 0 BCADHN Nc1nc(N)nc(N2CCCCCC2)n1 ZINC000165596312 343935606 /nfs/dbraw/zinc/93/56/06/343935606.db2.gz AKWLFMXGNQEZTG-UHFFFAOYSA-N 0 3 208.269 0.416 20 0 BCADHN C[C@H](O)Cn1cc(CNC2CCCC2)nn1 ZINC000641213753 362276428 /nfs/dbraw/zinc/27/64/28/362276428.db2.gz KVCOCLBSDGVXFB-VIFPVBQESA-N 0 3 224.308 0.691 20 0 BCADHN CC[C@@H](N)c1cn(C[C@@](C)(O)C(C)=O)nn1 ZINC000641215988 362277421 /nfs/dbraw/zinc/27/74/21/362277421.db2.gz CHCSTIOZZXDTCY-PSASIEDQSA-N 0 3 226.280 0.028 20 0 BCADHN CC[C@H](N)c1cn(CC2(O)CCC2)nn1 ZINC000641215997 362278419 /nfs/dbraw/zinc/27/84/19/362278419.db2.gz CWVDBBQBZRVMIF-QMMMGPOBSA-N 0 3 210.281 0.603 20 0 BCADHN CC(C)[C@@H](N)c1cn(CC2(O)CCC2)nn1 ZINC000641216531 362280039 /nfs/dbraw/zinc/28/00/39/362280039.db2.gz KODJBQBRHXJWDL-SNVBAGLBSA-N 0 3 224.308 0.849 20 0 BCADHN CN1CCC(C(=O)N[C@H](CO)CC2CC2)CC1 ZINC000678381205 488248454 /nfs/dbraw/zinc/24/84/54/488248454.db2.gz DWAGDZHXPATRKQ-LBPRGKRZSA-N 0 3 240.347 0.605 20 0 BCADHN COC[C@H](N)Cc1cn(CC(F)F)nn1 ZINC000641233128 362284825 /nfs/dbraw/zinc/28/48/25/362284825.db2.gz JVWPKXQYVMSBHN-ZCFIWIBFSA-N 0 3 220.223 0.059 20 0 BCADHN Cc1ncc(CN2CCO[C@@H](CN(C)C)C2)o1 ZINC000628118010 343967339 /nfs/dbraw/zinc/96/73/39/343967339.db2.gz CRSYLTSPMLFOEW-LBPRGKRZSA-N 0 3 239.319 0.745 20 0 BCADHN Cc1ncc(CN2CC[C@@H](C(N)=O)C2)o1 ZINC000628118971 343969724 /nfs/dbraw/zinc/96/97/24/343969724.db2.gz TWWJJEALAAAMFY-MRVPVSSYSA-N 0 3 209.249 0.290 20 0 BCADHN CN(CC1(C)COC1)[C@H]1CCCN(C)C1=O ZINC000625792330 344075907 /nfs/dbraw/zinc/07/59/07/344075907.db2.gz VMBNAPBKVSYREN-JTQLQIEISA-N 0 3 226.320 0.576 20 0 BCADHN C[C@H]1CCN(CCNC(=O)C(C)(C)CO)C1 ZINC000570654327 323066045 /nfs/dbraw/zinc/06/60/45/323066045.db2.gz YOWFJURIYSGGGK-JTQLQIEISA-N 0 3 228.336 0.463 20 0 BCADHN CC(C)N(C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000067571958 349900241 /nfs/dbraw/zinc/90/02/41/349900241.db2.gz BRRWXLDGLIIYMD-UHFFFAOYSA-N 0 3 238.335 0.719 20 0 BCADHN CNC(=O)CN(C)[C@]1(CO)CC[C@@H](C)C1 ZINC000187973988 259372445 /nfs/dbraw/zinc/37/24/45/259372445.db2.gz VIRWSZZOJKJXIH-MWLCHTKSSA-N 0 3 214.309 0.215 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CO)CC1CC1 ZINC000678386382 488249750 /nfs/dbraw/zinc/24/97/50/488249750.db2.gz LZWQMGAIKGRLNT-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@@H](N)C(=O)N1CCOC[C@@H]1CC(C)C ZINC000129820075 344064366 /nfs/dbraw/zinc/06/43/66/344064366.db2.gz XNPSUHKQMJEPFQ-WDEREUQCSA-N 0 3 228.336 0.997 20 0 BCADHN COc1ccc(O[C@@H](C)CNC(=O)CN)cc1 ZINC000083365714 187285229 /nfs/dbraw/zinc/28/52/29/187285229.db2.gz GNZBHDQJSSJXBQ-VIFPVBQESA-N 0 3 238.287 0.537 20 0 BCADHN C[C@H]1CN(CCC(=O)N(C)C)CC(C)(C)O1 ZINC000068475508 362336786 /nfs/dbraw/zinc/33/67/86/362336786.db2.gz MADNKNTYNYKBJK-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN CN1CC[C@](O)(CNc2ncncc2Cl)C1 ZINC000336752482 537840200 /nfs/dbraw/zinc/84/02/00/537840200.db2.gz DJUXPUGILCXXHV-JTQLQIEISA-N 0 3 242.710 0.030 20 0 BCADHN CCN1CCC(Nc2nccnc2C(N)=O)CC1 ZINC000641267067 362338424 /nfs/dbraw/zinc/33/84/24/362338424.db2.gz OJTRSYWKIVTBTM-UHFFFAOYSA-N 0 3 249.318 0.472 20 0 BCADHN C[C@@H]1CC[C@](CO)(N(C)CC(=O)NC2CC2)C1 ZINC000187958649 259372575 /nfs/dbraw/zinc/37/25/75/259372575.db2.gz YKHKIIXZAUPVMS-MFKMUULPSA-N 0 3 240.347 0.748 20 0 BCADHN CN(C[C@@H]1CCC(=O)N1)CC1(C)COC1 ZINC000625793619 344076493 /nfs/dbraw/zinc/07/64/93/344076493.db2.gz ZAKSECJCIQPZEN-VIFPVBQESA-N 0 3 212.293 0.233 20 0 BCADHN CN(C[C@@H]1CN(C)C(=O)O1)[C@@H](CO)C(C)(C)C ZINC000496432980 529957066 /nfs/dbraw/zinc/95/70/66/529957066.db2.gz BVDOHFZXWCAIAD-ZJUUUORDSA-N 0 3 244.335 0.776 20 0 BCADHN CC(C)N(C)CC(=O)NCCc1cnn(C)c1 ZINC000049399870 187357747 /nfs/dbraw/zinc/35/77/47/187357747.db2.gz SXLQEYAPCHBTGR-UHFFFAOYSA-N 0 3 238.335 0.419 20 0 BCADHN CCCN(CCCC(=O)NC)CC(=O)N(C)C ZINC000573310043 344085060 /nfs/dbraw/zinc/08/50/60/344085060.db2.gz VQCAOGKSGSIQPP-UHFFFAOYSA-N 0 3 243.351 0.313 20 0 BCADHN Cc1nc(C(=O)N(C)CCN2CCCC2)c[nH]1 ZINC000330449468 187357807 /nfs/dbraw/zinc/35/78/07/187357807.db2.gz IYLQARRYCJGFHP-UHFFFAOYSA-N 0 3 236.319 0.886 20 0 BCADHN CN1CC[C@@H]2OCCN(CC(F)(F)F)[C@H]2C1 ZINC000335917224 344085872 /nfs/dbraw/zinc/08/58/72/344085872.db2.gz HDMIHTFYXGJLCG-IUCAKERBSA-N 0 3 238.253 0.954 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CCCOCC1 ZINC000306242677 344088019 /nfs/dbraw/zinc/08/80/19/344088019.db2.gz LVNBLOMUSABOAQ-IUCAKERBSA-N 0 3 200.282 0.280 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000129945657 344095841 /nfs/dbraw/zinc/09/58/41/344095841.db2.gz KKGBMXAYFQXKQK-KYXWUPHJSA-N 0 3 226.320 0.653 20 0 BCADHN CC(C)(C)n1cc(CNC[C@@H](O)CO)cn1 ZINC000085246614 187285890 /nfs/dbraw/zinc/28/58/90/187285890.db2.gz YNIOQJVRLXOGMV-SNVBAGLBSA-N 0 3 227.308 0.081 20 0 BCADHN NC(=O)c1cc(N[C@@H]2CCN(C3CC3)C2)ncn1 ZINC000641308481 362356050 /nfs/dbraw/zinc/35/60/50/362356050.db2.gz BKJBJKGTPOCRSV-MRVPVSSYSA-N 0 3 247.302 0.224 20 0 BCADHN C[C@@H](O)CN(C)[C@H]1CCCCN(C)C1=O ZINC000634744383 344165124 /nfs/dbraw/zinc/16/51/24/344165124.db2.gz WQMAGOIKPGTWSD-ZJUUUORDSA-N 0 3 214.309 0.310 20 0 BCADHN CC[C@H](N)c1cn(C[C@H](O)CSC)nn1 ZINC000603262635 349902597 /nfs/dbraw/zinc/90/25/97/349902597.db2.gz WLNVBDVNEKZXEC-YUMQZZPRSA-N 0 3 230.337 0.412 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000130235592 344125431 /nfs/dbraw/zinc/12/54/31/344125431.db2.gz LKZLSWGOZODOLU-GWOFURMSSA-N 0 3 226.320 0.798 20 0 BCADHN O=C1C[C@H](CN2CCO[C@@H]3CCC[C@@H]32)CN1 ZINC000625853843 344125581 /nfs/dbraw/zinc/12/55/81/344125581.db2.gz IMNJDGXCWFMKLK-GARJFASQSA-N 0 3 224.304 0.376 20 0 BCADHN CN1CCC[C@@H]1CNc1nccnc1C(N)=O ZINC000641309927 362360046 /nfs/dbraw/zinc/36/00/46/362360046.db2.gz MYXIYLJSMQBJJG-MRVPVSSYSA-N 0 3 235.291 0.082 20 0 BCADHN N[C@@H](C(=O)N1CCOCC(F)(F)C1)C1CCC1 ZINC000634739776 344162180 /nfs/dbraw/zinc/16/21/80/344162180.db2.gz FIAIDQGOWDIKEF-SECBINFHSA-N 0 3 248.273 0.608 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCOCC(F)(F)C1 ZINC000634740159 344162248 /nfs/dbraw/zinc/16/22/48/344162248.db2.gz PWHJGOFZZKZNSR-QMMMGPOBSA-N 0 3 248.273 0.479 20 0 BCADHN C[C@H](N[C@@H]1CCCOC1)C1(S(C)(=O)=O)CC1 ZINC000336749601 537841927 /nfs/dbraw/zinc/84/19/27/537841927.db2.gz UGIMBGURHMBFPY-VHSXEESVSA-N 0 3 247.360 0.721 20 0 BCADHN 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344232526 /nfs/dbraw/zinc/23/25/26/344232526.db2.gz ZSADTQFDWBTQJU-GFCCVEGCSA-N 0 3 224.304 0.911 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)CCN2 ZINC000131737295 344234998 /nfs/dbraw/zinc/23/49/98/344234998.db2.gz SLWQOXZJKFSPRG-ZETCQYMHSA-N 0 3 205.261 0.940 20 0 BCADHN CC(C)N(C)CC(=O)N1CCN[C@@H](C)C1 ZINC000236648210 187289549 /nfs/dbraw/zinc/28/95/49/187289549.db2.gz CQHPHGJFAOPGQF-JTQLQIEISA-N 0 3 213.325 0.147 20 0 BCADHN CS[C@@H](C)CC(=O)N[C@H](CO)CN(C)C ZINC000588866168 344196314 /nfs/dbraw/zinc/19/63/14/344196314.db2.gz GIUSEXGXMYNQEX-IUCAKERBSA-N 0 3 234.365 0.167 20 0 BCADHN CC(C(=O)N1C[C@H](C)C[C@@H]1C)S(C)(=O)=O ZINC000408215808 344250242 /nfs/dbraw/zinc/25/02/42/344250242.db2.gz ANAOXEMBCALALG-HRDYMLBCSA-N 0 3 233.333 0.676 20 0 BCADHN CS[C@@H](C)CC(=O)NCCN1CC[C@@H](O)C1 ZINC000600534627 344262251 /nfs/dbraw/zinc/26/22/51/344262251.db2.gz NUMRIECQDIYWIK-VHSXEESVSA-N 0 3 246.376 0.311 20 0 BCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000408225183 344263283 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/nfs/dbraw/zinc/49/40/51/344494051.db2.gz WBQFHHVWBFIYOW-NXEZZACHSA-N 0 3 247.360 0.578 20 0 BCADHN CC[C@H](C(=O)N1CCC(C(N)=O)CC1)N(C)C ZINC000408327640 344508896 /nfs/dbraw/zinc/50/88/96/344508896.db2.gz FRYPIRIWZBZYBI-SNVBAGLBSA-N 0 3 241.335 0.051 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CCCN(C)C1)C(=O)OC ZINC000258786284 344501628 /nfs/dbraw/zinc/50/16/28/344501628.db2.gz NPPQULBVCYIHCO-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN CN(C[C@@H](O)CNCc1ccoc1)C1CC1 ZINC000381274547 344501785 /nfs/dbraw/zinc/50/17/85/344501785.db2.gz WNOCMFKBXCGHEO-LBPRGKRZSA-N 0 3 224.304 0.824 20 0 BCADHN CN1CCC(O)(CNC(=O)C23CC(C2)C3)CC1 ZINC000625933193 344570802 /nfs/dbraw/zinc/57/08/02/344570802.db2.gz VBAPLQWRYVSOHS-UHFFFAOYSA-N 0 3 238.331 0.359 20 0 BCADHN CCOC1CCN(C[C@H](O)COC)CC1 ZINC000068891081 344512238 /nfs/dbraw/zinc/51/22/38/344512238.db2.gz XOMKALMSFOMXEF-JTQLQIEISA-N 0 3 217.309 0.495 20 0 BCADHN CC(C)CNC(=O)C(C)S(C)(=O)=O ZINC000045875426 344576337 /nfs/dbraw/zinc/57/63/37/344576337.db2.gz CARPWNURVXWZLT-SSDOTTSWSA-N 0 3 207.295 0.192 20 0 BCADHN COC[C@](C)(O)CNCc1cccnc1C ZINC000381646087 344529529 /nfs/dbraw/zinc/52/95/29/344529529.db2.gz BRQNBECRHGNUHV-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN CNCC(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000566251408 344531721 /nfs/dbraw/zinc/53/17/21/344531721.db2.gz PUMUEYQODMRVJP-SNVBAGLBSA-N 0 3 247.298 0.448 20 0 BCADHN C[C@H](O)CCCN1CCN(C2CC2)CC1 ZINC000045620589 344574057 /nfs/dbraw/zinc/57/40/57/344574057.db2.gz OHTAUJXRUYRDLR-NSHDSACASA-N 0 3 212.337 0.927 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CC[C@H]1O)N(CC)CC ZINC000425052225 192072254 /nfs/dbraw/zinc/07/22/54/192072254.db2.gz SZAQHMAWFDQTBX-GMTAPVOTSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@H](C(=O)N[C@@H]1CC[C@H]1O)N1[C@H](C)CC[C@@H]1C ZINC000425051743 192072347 /nfs/dbraw/zinc/07/23/47/192072347.db2.gz RMTBJEDKCRMONF-IYKVGLELSA-N 0 3 240.347 0.887 20 0 BCADHN COCC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000221991865 349912409 /nfs/dbraw/zinc/91/24/09/349912409.db2.gz YIKJKBSHLUFOKK-NSHDSACASA-N 0 3 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/nfs/dbraw/zinc/62/50/91/345625091.db2.gz OCXXKIOGZWIZPX-UWVGGRQHSA-N 0 3 214.309 0.431 20 0 BCADHN Cc1n[nH]cc1CN(CCO)CC1CC1 ZINC000092506266 345626308 /nfs/dbraw/zinc/62/63/08/345626308.db2.gz DPBHYKQONTVDCQ-UHFFFAOYSA-N 0 3 209.293 0.922 20 0 BCADHN O=c1ccccn1CCN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626138120 345629714 /nfs/dbraw/zinc/62/97/14/345629714.db2.gz KHDHLIJZBNZVRV-OUCADQQQSA-N 0 3 248.326 0.694 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626138421 345630234 /nfs/dbraw/zinc/63/02/34/345630234.db2.gz VFXCNIHRWRMXAS-HOSYDEDBSA-N 0 3 226.320 0.310 20 0 BCADHN O[C@@H]1CC[C@H]2CCN(Cc3cn[nH]c3)[C@@H]12 ZINC000626139973 345633429 /nfs/dbraw/zinc/63/34/29/345633429.db2.gz HKTNWUORDQLXHU-HBNTYKKESA-N 0 3 207.277 0.755 20 0 BCADHN COC(=O)[C@H](C)n1cc([C@@H](N)C(C)C)nn1 ZINC000600976486 345582538 /nfs/dbraw/zinc/58/25/38/345582538.db2.gz PXNSDFWNEVRYSA-CBAPKCEASA-N 0 3 226.280 0.668 20 0 BCADHN CCC[C@@H](NC(=O)CN(CC)CC)C(=O)OC ZINC000091143611 345582885 /nfs/dbraw/zinc/58/28/85/345582885.db2.gz ANZXNKSZJFAKAM-SNVBAGLBSA-N 0 3 244.335 0.786 20 0 BCADHN CCC[C@H](N)c1cn([C@@H](C)C(=O)OC)nn1 ZINC000600976920 345585455 /nfs/dbraw/zinc/58/54/55/345585455.db2.gz WPUYMEORLAUQAR-YUMQZZPRSA-N 0 3 226.280 0.812 20 0 BCADHN CCC[C@@H](NC(=O)CN(C)C(C)C)C(=O)OC ZINC000091136733 345587835 /nfs/dbraw/zinc/58/78/35/345587835.db2.gz AUHZQQROYHDENT-SNVBAGLBSA-N 0 3 244.335 0.785 20 0 BCADHN COc1ccnc(NC[C@H]2CSCCN2)n1 ZINC000641686820 362606808 /nfs/dbraw/zinc/60/68/08/362606808.db2.gz BDPFNHFGLRXPNT-QMMMGPOBSA-N 0 3 240.332 0.602 20 0 BCADHN C[C@@H]1C[NH+](CCCOC([O-])=NC(N)=O)C[C@H]1C ZINC000093177602 345659196 /nfs/dbraw/zinc/65/91/96/345659196.db2.gz CXYCNKBHHJIXGR-RKDXNWHRSA-N 0 3 243.307 0.769 20 0 BCADHN C[C@@H]1C[NH+](CCCOC(=O)N=C(N)[O-])C[C@H]1C ZINC000093177602 345659199 /nfs/dbraw/zinc/65/91/99/345659199.db2.gz CXYCNKBHHJIXGR-RKDXNWHRSA-N 0 3 243.307 0.769 20 0 BCADHN CC(C)COC[C@H](O)CN(C)[C@@H]1CCOC1 ZINC000106936759 187308562 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/nfs/dbraw/zinc/65/47/23/345654723.db2.gz XANBXSUMILKFHA-JOYOIKCWSA-N 0 3 223.320 0.931 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)CCc1ccoc1 ZINC000673519870 488293008 /nfs/dbraw/zinc/29/30/08/488293008.db2.gz AWFDSAIAKXPZHJ-LLVKDONJSA-N 0 3 240.303 0.251 20 0 BCADHN CC(C(=O)N1CC[C@@H]1C1CC1)S(C)(=O)=O ZINC000622637128 345698353 /nfs/dbraw/zinc/69/83/53/345698353.db2.gz ROMAPTLMTZBVCF-VXNVDRBHSA-N 0 3 231.317 0.430 20 0 BCADHN CCOCCN(C)C(=O)NC[C@@H]1CCCN1C ZINC000093402189 345669671 /nfs/dbraw/zinc/66/96/71/345669671.db2.gz JSTPICHKNCTUQP-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN CN1CCN(Cc2cc[nH]n2)C(C)(C)C1 ZINC000093457466 345672002 /nfs/dbraw/zinc/67/20/02/345672002.db2.gz VNTLBHLCKGCCKK-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN CNC(=O)CCCN[C@H](CO)c1ccccc1 ZINC000068818268 349936367 /nfs/dbraw/zinc/93/63/67/349936367.db2.gz ISYXSOASZWIDHA-GFCCVEGCSA-N 0 3 236.315 0.836 20 0 BCADHN Cc1cnn(CC(=O)NC[C@H]2CCCN2C)c1 ZINC000139136969 345691550 /nfs/dbraw/zinc/69/15/50/345691550.db2.gz PQRQCBXLDSXJEI-LLVKDONJSA-N 0 3 236.319 0.402 20 0 BCADHN COC[C@H](CCO)NCc1ccncc1N ZINC000641725112 362641574 /nfs/dbraw/zinc/64/15/74/362641574.db2.gz HKWLNDJHGUYWTB-JTQLQIEISA-N 0 3 225.292 0.151 20 0 BCADHN CCC(C)(C)C(=O)N[C@@H](CO)CN(C)C ZINC000673523020 488293382 /nfs/dbraw/zinc/29/33/82/488293382.db2.gz UTDSSPZVMZXSAC-SECBINFHSA-N 0 3 216.325 0.461 20 0 BCADHN CCC(=O)N1CC[C@H](NCc2ccncc2N)C1 ZINC000641736160 362660800 /nfs/dbraw/zinc/66/08/00/362660800.db2.gz BYOAPHMXOQFLPU-NSHDSACASA-N 0 3 248.330 0.764 20 0 BCADHN C[C@@H](CNC[C@@H](O)C1CCC1)S(C)(=O)=O ZINC000563138428 323094933 /nfs/dbraw/zinc/09/49/33/323094933.db2.gz NQCKQYSJYYNARL-WCBMZHEXSA-N 0 3 235.349 0.170 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2cnccn2)C1 ZINC000223826118 345749520 /nfs/dbraw/zinc/74/95/20/345749520.db2.gz GYFQIPLVIWOVMF-SECBINFHSA-N 0 3 220.276 0.301 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCCCO ZINC000565358613 323095113 /nfs/dbraw/zinc/09/51/13/323095113.db2.gz NNGIOYQCKNQJAS-LLVKDONJSA-N 0 3 200.326 0.785 20 0 BCADHN C[C@H](C(=O)N(C)[C@H]1CCN(C2CC2)C1)N(C)C ZINC000635559448 345752149 /nfs/dbraw/zinc/75/21/49/345752149.db2.gz BKVJTNAQVXCZRS-PWSUYJOCSA-N 0 3 239.363 0.632 20 0 BCADHN CC(C(=O)N[C@H]1CCOC1(C)C)S(C)(=O)=O ZINC000622636566 345699574 /nfs/dbraw/zinc/69/95/74/345699574.db2.gz DHYDIPGITMAKND-YUMQZZPRSA-N 0 3 249.332 0.103 20 0 BCADHN COCC[C@@H](C)N(C)[C@@H]1CCNC1=O ZINC000340220608 537908659 /nfs/dbraw/zinc/90/86/59/537908659.db2.gz NGBWRTHUWVLVGC-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN NC(=O)[C@H]1CCCCN1CCN1CCCCC1 ZINC000205093490 345732896 /nfs/dbraw/zinc/73/28/96/345732896.db2.gz UXYNAHUQODMGQR-GFCCVEGCSA-N 0 3 239.363 0.812 20 0 BCADHN NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000207096628 345734421 /nfs/dbraw/zinc/73/44/21/345734421.db2.gz ZOMYDQFMYBXDIQ-LLVKDONJSA-N 0 3 219.288 0.929 20 0 BCADHN CCn1ccc(C(=O)NC2CCN(C)CC2)n1 ZINC000138394427 345766667 /nfs/dbraw/zinc/76/66/67/345766667.db2.gz OTDYMCGVAALHNR-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN CN(CCC1CC1)CC(=O)NC(=O)NC1CC1 ZINC000135266937 345769383 /nfs/dbraw/zinc/76/93/83/345769383.db2.gz QHODHQUNEYJDLT-UHFFFAOYSA-N 0 3 239.319 0.707 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)c1ccccc1F ZINC000673522400 488293646 /nfs/dbraw/zinc/29/36/46/488293646.db2.gz PZGJMBDOOZJMDH-SECBINFHSA-N 0 3 240.278 0.478 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)CC1=CCCCC1 ZINC000673522605 488293683 /nfs/dbraw/zinc/29/36/83/488293683.db2.gz VWPCPNHRCABVQX-LBPRGKRZSA-N 0 3 240.347 0.916 20 0 BCADHN Cc1ccc(NC(=O)C(N)=O)c(CN(C)C)c1 ZINC000635565015 345788060 /nfs/dbraw/zinc/78/80/60/345788060.db2.gz AFBCVYYVGCFBPY-UHFFFAOYSA-N 0 3 235.287 0.480 20 0 BCADHN CN1CC[C@H](N2CCC[C@H](CCO)C2)C1=O ZINC000070583956 345788913 /nfs/dbraw/zinc/78/89/13/345788913.db2.gz VABQBUKESUUISZ-MNOVXSKESA-N 0 3 226.320 0.312 20 0 BCADHN Cc1n[nH]c(C(=O)NCCc2cn(C)cn2)c1C ZINC000622685794 345801493 /nfs/dbraw/zinc/80/14/93/345801493.db2.gz KQXGMNCUVSVGAR-UHFFFAOYSA-N 0 3 247.302 0.733 20 0 BCADHN N[C@H](C(=O)Nc1nncs1)C1CCC1 ZINC000307506240 345804626 /nfs/dbraw/zinc/80/46/26/345804626.db2.gz QMRSTPNTVUIADT-LURJTMIESA-N 0 3 212.278 0.604 20 0 BCADHN Cc1nnc(CCNCc2cncn2C)s1 ZINC000381424656 345851122 /nfs/dbraw/zinc/85/11/22/345851122.db2.gz YJSPVUSUOCZSHA-UHFFFAOYSA-N 0 3 237.332 0.912 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)[C@H]1C[C@@H](O)C1 ZINC000635572949 345826079 /nfs/dbraw/zinc/82/60/79/345826079.db2.gz QBSGVUPRVWKOET-UTUOFQBUSA-N 0 3 240.347 0.748 20 0 BCADHN O=C(N[C@H](CO)CN1CCCC1)C1CC=CC1 ZINC000673531441 488294467 /nfs/dbraw/zinc/29/44/67/488294467.db2.gz MUVXGEQOTGBGRN-LBPRGKRZSA-N 0 3 238.331 0.526 20 0 BCADHN Cc1occc1C(=O)N[C@H](CO)CN(C)C ZINC000673524517 488294478 /nfs/dbraw/zinc/29/44/78/488294478.db2.gz XBOCDIQQECBNCL-VIFPVBQESA-N 0 3 226.276 0.240 20 0 BCADHN C[C@H](C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)N(C)C ZINC000635601382 345887934 /nfs/dbraw/zinc/88/79/34/345887934.db2.gz ATOXWWMCQZGJID-TUAOUCFPSA-N 0 3 241.379 0.735 20 0 BCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1C[C@@H](O)C1 ZINC000635603628 345888788 /nfs/dbraw/zinc/88/87/88/345888788.db2.gz QXQSBSGSYHYBIC-WISYIIOYSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C2)CCN1C ZINC000635607982 345890224 /nfs/dbraw/zinc/89/02/24/345890224.db2.gz SJJVEVLBUHHWDE-DBIOUOCHSA-N 0 3 226.320 0.356 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C2)CCN1C ZINC000635607985 345890563 /nfs/dbraw/zinc/89/05/63/345890563.db2.gz SJJVEVLBUHHWDE-ZNSHCXBVSA-N 0 3 226.320 0.356 20 0 BCADHN Cc1nn(C)cc1CNCC1(CCO)CC1 ZINC000133078577 187360288 /nfs/dbraw/zinc/36/02/88/187360288.db2.gz NPCJUMSJNFZCPC-UHFFFAOYSA-N 0 3 223.320 0.981 20 0 BCADHN COCCN(CCCNC(C)=O)C1CC1 ZINC000142826807 345876292 /nfs/dbraw/zinc/87/62/92/345876292.db2.gz MSHIYGQJWHBXEY-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CC(C)[C@@](C)(CO)NCc1cnn(C)c1 ZINC000336754154 187311539 /nfs/dbraw/zinc/31/15/39/187311539.db2.gz HYXGNLKDSRBQRG-LLVKDONJSA-N 0 3 211.309 0.917 20 0 BCADHN CN(CC(=O)NCC(C)(C)O)CC(C)(C)C ZINC000635631751 345907050 /nfs/dbraw/zinc/90/70/50/345907050.db2.gz UPBSCWUMDJAXAB-UHFFFAOYSA-N 0 3 230.352 0.851 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000635634300 345908705 /nfs/dbraw/zinc/90/87/05/345908705.db2.gz DBZPQGZUIIMPLD-GARJFASQSA-N 0 3 226.320 0.215 20 0 BCADHN CN(CC(=O)N1CC[C@@H](O)C1)CC(C)(C)C ZINC000635638262 345911826 /nfs/dbraw/zinc/91/18/26/345911826.db2.gz RQWQNMKWDRKBHV-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1C[C@@H](O)C1 ZINC000635678196 345974853 /nfs/dbraw/zinc/97/48/53/345974853.db2.gz ZGJKVPUBAHCQEA-GAIPPQHRSA-N 0 3 238.331 0.356 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000563198510 323101367 /nfs/dbraw/zinc/10/13/67/323101367.db2.gz DTARRLQTBWFZSZ-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CN(CC(=O)N1CC(O)C1)CC(C)(C)C ZINC000635699033 345984144 /nfs/dbraw/zinc/98/41/44/345984144.db2.gz SDSWNRKTAXGQQQ-UHFFFAOYSA-N 0 3 214.309 0.167 20 0 BCADHN Cc1ncc(C(=O)N[C@H]2CCN(CC3CC3)C2)[nH]1 ZINC000601006916 345997399 /nfs/dbraw/zinc/99/73/99/345997399.db2.gz WVTLYFDTGMEQAP-NSHDSACASA-N 0 3 248.330 0.932 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000570969762 323102324 /nfs/dbraw/zinc/10/23/24/323102324.db2.gz JOJYUBRDDHFJRV-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CCn1cc(CN(C)C(=O)[C@@H](C)N)cn1 ZINC000381471348 346005131 /nfs/dbraw/zinc/00/51/31/346005131.db2.gz OQMVBMRXKCPQSQ-MRVPVSSYSA-N 0 3 210.281 0.209 20 0 BCADHN C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1O ZINC000635756602 346051007 /nfs/dbraw/zinc/05/10/07/346051007.db2.gz GULBRHJRPCAYLM-MNOVXSKESA-N 0 3 242.363 0.804 20 0 BCADHN CC[C@H](N)C(=O)NCCc1ccccc1O ZINC000390375923 259387184 /nfs/dbraw/zinc/38/71/84/259387184.db2.gz XTJZPJJWGAXHCK-JTQLQIEISA-N 0 3 222.288 0.788 20 0 BCADHN C[C@H](C(=O)N[C@@H]1CCc2nc[nH]c2C1)N(C)C ZINC000635715483 346026873 /nfs/dbraw/zinc/02/68/73/346026873.db2.gz JUPXHHOYHKTWEH-RKDXNWHRSA-N 0 3 236.319 0.333 20 0 BCADHN C[C@H](C(=O)N[C@@H]1CCc2[nH]cnc2C1)N(C)C ZINC000635715483 346026876 /nfs/dbraw/zinc/02/68/76/346026876.db2.gz JUPXHHOYHKTWEH-RKDXNWHRSA-N 0 3 236.319 0.333 20 0 BCADHN CCN(C[C@@H](C)COC)[C@H]1CCNC1=O ZINC000574896197 346029777 /nfs/dbraw/zinc/02/97/77/346029777.db2.gz PVFLADVZOXXMGS-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@@H](O)CN1CCN(C[C@H](C)O)CC1(C)C ZINC000148048712 346032041 /nfs/dbraw/zinc/03/20/41/346032041.db2.gz PTWODVUXLONMOY-WDEREUQCSA-N 0 3 230.352 0.144 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1CCC[C@@H](F)C1 ZINC000575125381 346037983 /nfs/dbraw/zinc/03/79/83/346037983.db2.gz BWGGBSBYRGNRGI-HRDYMLBCSA-N 0 3 218.272 0.357 20 0 BCADHN CCN1C[C@H](C)N(C(=O)[C@@H](C)N(C)C)C[C@H]1C ZINC000635749214 346047735 /nfs/dbraw/zinc/04/77/35/346047735.db2.gz DYPXJRJTGKGGEX-GRYCIOLGSA-N 0 3 241.379 0.878 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CCCCN1)c1nccn1C ZINC000662935780 537935166 /nfs/dbraw/zinc/93/51/66/537935166.db2.gz ZQFKHAWVVTZUKS-UWVGGRQHSA-N 0 3 236.319 0.739 20 0 BCADHN CCCN(CCN(CC)CC)C(=O)C(N)=O ZINC000635803286 346068185 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/nfs/dbraw/zinc/16/38/41/346163841.db2.gz ICMKTOIAVQCTPS-GMTAPVOTSA-N 0 3 248.330 0.724 20 0 BCADHN CC(C)N1CC[C@H](N(C)C(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000636012308 346153863 /nfs/dbraw/zinc/15/38/63/346153863.db2.gz ULHVAOMDTYJQPQ-SDDRHHMPSA-N 0 3 240.347 0.698 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000429410437 192098021 /nfs/dbraw/zinc/09/80/21/192098021.db2.gz QTSGBTRSFPMBDD-QWRGUYRKSA-N 0 3 227.352 0.537 20 0 BCADHN Cc1nc(C)c(CNC[C@@]2(O)CCN(C)C2)o1 ZINC000628239622 346200659 /nfs/dbraw/zinc/20/06/59/346200659.db2.gz YQBQLFMSRQYNPV-LBPRGKRZSA-N 0 3 239.319 0.448 20 0 BCADHN CC(C)(C)OC(=O)NCCN1CCC[C@H]1CO ZINC000136271383 346182328 /nfs/dbraw/zinc/18/23/28/346182328.db2.gz BQCMFKQDCSXMQD-JTQLQIEISA-N 0 3 244.335 0.968 20 0 BCADHN Cc1cccc(C(=O)N(C)CC[NH3+])c1[O-] ZINC000041055232 179004034 /nfs/dbraw/zinc/00/40/34/179004034.db2.gz QVATXNHQJWECIW-UHFFFAOYSA-N 0 3 208.261 0.731 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000636046747 346232371 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CCN(CCO)CCNCc1ccncc1N ZINC000641747023 362674278 /nfs/dbraw/zinc/67/42/78/362674278.db2.gz DNWHJHWUDTUQHP-UHFFFAOYSA-N 0 3 238.335 0.068 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)c1cnccn1 ZINC000636125453 346326715 /nfs/dbraw/zinc/32/67/15/346326715.db2.gz PFNMFIVDBSADRY-SNVBAGLBSA-N 0 3 236.319 0.996 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)c1cnccn1)N(C)C ZINC000636149009 346335614 /nfs/dbraw/zinc/33/56/14/346335614.db2.gz ISEXWFLZGDPCLT-GXSJLCMTSA-N 0 3 236.319 0.994 20 0 BCADHN COCCC(=O)NC[C@H]1CCCN1CCOC ZINC000069500191 362689983 /nfs/dbraw/zinc/68/99/83/362689983.db2.gz KBZUZQDNPXWMOK-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN COCCC(=O)NC[C@@H]1CCCN1CCOC ZINC000069500186 362690190 /nfs/dbraw/zinc/69/01/90/362690190.db2.gz KBZUZQDNPXWMOK-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N ZINC000083884342 179041062 /nfs/dbraw/zinc/04/10/62/179041062.db2.gz GQBIMYYQIBJXDY-JTQLQIEISA-N 0 3 249.314 0.705 20 0 BCADHN CN1CCC[C@H](NC(=O)C2=CCOCC2)C1 ZINC000684432756 488312497 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MSHWWBDZCBEEAA-BDAKNGLRSA-N 0 3 216.350 0.995 20 0 BCADHN Cc1ccc(CNCCC(=O)NC(N)=O)s1 ZINC000381578321 346382196 /nfs/dbraw/zinc/38/21/96/346382196.db2.gz DEYAMKZXIJJJGI-UHFFFAOYSA-N 0 3 241.316 0.731 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@@H](O)C(C)C ZINC000162264982 346382690 /nfs/dbraw/zinc/38/26/90/346382690.db2.gz YMLNVEHEHWWHJK-NXEZZACHSA-N 0 3 237.365 0.416 20 0 BCADHN C[C@@H](CNC(=O)c1ncccc1N)N(C)C ZINC000157700028 346384970 /nfs/dbraw/zinc/38/49/70/346384970.db2.gz VCWSOFYQBPBFGF-QMMMGPOBSA-N 0 3 222.292 0.344 20 0 BCADHN CCN(C(=O)[C@H]1CCOC1)[C@@H]1CCN(CC)C1 ZINC000617929602 346387525 /nfs/dbraw/zinc/38/75/25/346387525.db2.gz NAPAIIKFDUHWFK-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)N[C@H](C)CN ZINC000419175675 192101342 /nfs/dbraw/zinc/10/13/42/192101342.db2.gz PPTICWPQDRRMSB-OPRDCNLKSA-N 0 3 243.351 0.391 20 0 BCADHN CC(C)NCC(=O)N1CCSC[C@@H]1C ZINC000069761751 349957918 /nfs/dbraw/zinc/95/79/18/349957918.db2.gz SQGZKNXIXXGGHG-VIFPVBQESA-N 0 3 216.350 0.948 20 0 BCADHN CN(CC(=O)NC1COC1)CC(C)(C)C ZINC000636315755 346391122 /nfs/dbraw/zinc/39/11/22/346391122.db2.gz UENXIPDZSRNJMF-UHFFFAOYSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@H]1C[C@H](C(=O)N(C)CCN2CCCC2)CO1 ZINC000352499873 187368568 /nfs/dbraw/zinc/36/85/68/187368568.db2.gz IHDPQBFGJDGZGJ-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCCN(C(N)=O)CC1 ZINC000336484795 187368114 /nfs/dbraw/zinc/36/81/14/187368114.db2.gz RLKWLGXVGFGRJU-SNVBAGLBSA-N 0 3 243.351 0.480 20 0 BCADHN CC[C@@H](N)C(=O)N1CCNC(=O)[C@H]1CC(C)C ZINC000574917691 346410681 /nfs/dbraw/zinc/41/06/81/346410681.db2.gz MZNCRENJOQOBEN-NXEZZACHSA-N 0 3 241.335 0.097 20 0 BCADHN CN1CCC[C@H]1CNC[C@H](O)C(F)(F)F ZINC000300368237 346432750 /nfs/dbraw/zinc/43/27/50/346432750.db2.gz PTPVQXYKTKDDTJ-YUMQZZPRSA-N 0 3 226.242 0.593 20 0 BCADHN OCCOc1ccc2c(c1)OCCNC2 ZINC000380029540 365815198 /nfs/dbraw/zinc/81/51/98/365815198.db2.gz PWZMNHJIGVUFBG-UHFFFAOYSA-N 0 3 209.245 0.540 20 0 BCADHN 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C[C@H](N)C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000069909776 349968813 /nfs/dbraw/zinc/96/88/13/349968813.db2.gz SWKNIEVHHWCGPR-FXQIFTODSA-N 0 3 202.323 0.686 20 0 BCADHN C[C@H](N)C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000069909775 349968906 /nfs/dbraw/zinc/96/89/06/349968906.db2.gz SWKNIEVHHWCGPR-RNJXMRFFSA-N 0 3 202.323 0.686 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N[C@@H]1CCSC1 ZINC000562969968 346539577 /nfs/dbraw/zinc/53/95/77/346539577.db2.gz ICBXALRBBIGKOZ-ZJUUUORDSA-N 0 3 244.360 0.377 20 0 BCADHN CC[C@H](CO)N1CCN(C[C@H](C)COC)CC1 ZINC000187386048 346572746 /nfs/dbraw/zinc/57/27/46/346572746.db2.gz RJPLOEMIXRDSTR-QWHCGFSZSA-N 0 3 244.379 0.657 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCc1csc(C)n1 ZINC000580712988 346589683 /nfs/dbraw/zinc/58/96/83/346589683.db2.gz WYDLAYPOVCOGHN-GHMZBOCLSA-N 0 3 242.344 0.997 20 0 BCADHN CC[C@H](C)CC(=O)N1CCN(C)C[C@@H]1CN ZINC000164535678 346608337 /nfs/dbraw/zinc/60/83/37/346608337.db2.gz ZHGQFIOBXCTBOI-QWRGUYRKSA-N 0 3 227.352 0.524 20 0 BCADHN COC[C@H](O)CNCc1ccnc(SC)c1 ZINC000580642507 365840073 /nfs/dbraw/zinc/84/00/73/365840073.db2.gz YWYWSLPBBBEFMX-SNVBAGLBSA-N 0 3 242.344 0.900 20 0 BCADHN NCC(=O)NCCCOCC(F)(F)F ZINC000178009064 346655712 /nfs/dbraw/zinc/65/57/12/346655712.db2.gz PJVBRGBPWMKADI-UHFFFAOYSA-N 0 3 214.187 0.030 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H](O)CC(C)(C)C ZINC000178143995 346657795 /nfs/dbraw/zinc/65/77/95/346657795.db2.gz QGHRLLRVYAKCPJ-YUMQZZPRSA-N 0 3 202.298 0.247 20 0 BCADHN CCN(C)C(=O)CNC[C@@H](O)CCOC(C)C ZINC000580184376 346632114 /nfs/dbraw/zinc/63/21/14/346632114.db2.gz XNEDWKJJDQPQHL-NSHDSACASA-N 0 3 246.351 0.230 20 0 BCADHN CC(C)C[C@H]1CCN([C@@H]2CC(=O)NC2=O)C1 ZINC000580208558 346672415 /nfs/dbraw/zinc/67/24/15/346672415.db2.gz GFNSMHVNWOITKN-NXEZZACHSA-N 0 3 224.304 0.770 20 0 BCADHN CC(=O)CCC(=O)N[C@H](C)CCN(C)C ZINC000203582469 346640312 /nfs/dbraw/zinc/64/03/12/346640312.db2.gz IHDDDZQCGQOOQQ-SECBINFHSA-N 0 3 214.309 0.812 20 0 BCADHN CC(=O)NCCCNCc1nc(C)c(C)[nH]1 ZINC000580216627 346702950 /nfs/dbraw/zinc/70/29/50/346702950.db2.gz ABDBHZVXPIJLRW-UHFFFAOYSA-N 0 3 224.308 0.642 20 0 BCADHN Cc1cccc(NC(=O)[C@@H]2C[C@H](O)CN2)c1C ZINC000020434415 179139382 /nfs/dbraw/zinc/13/93/82/179139382.db2.gz JTQPZHWTWMQZLM-JQWIXIFHSA-N 0 3 234.299 0.965 20 0 BCADHN Cc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2)c1C ZINC000020434414 179140988 /nfs/dbraw/zinc/14/09/88/179140988.db2.gz JTQPZHWTWMQZLM-ZYHUDNBSSA-N 0 3 234.299 0.965 20 0 BCADHN Cn1ccc(C(=O)NCCNc2ccncc2)n1 ZINC000589688116 346729616 /nfs/dbraw/zinc/72/96/16/346729616.db2.gz IPNFBPUIRRCENN-UHFFFAOYSA-N 0 3 245.286 0.079 20 0 BCADHN CCOc1ccc(CN(CCO)CCO)cc1 ZINC000049754013 488325077 /nfs/dbraw/zinc/32/50/77/488325077.db2.gz ATUGJSCXFRHYHE-UHFFFAOYSA-N 0 3 239.315 0.872 20 0 BCADHN CN1CCC(C(=O)NCCOCCF)CC1 ZINC000621090149 346677441 /nfs/dbraw/zinc/67/74/41/346677441.db2.gz DUVOIAHHIOVLTG-UHFFFAOYSA-N 0 3 232.299 0.431 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CC[C@H](COC)C1 ZINC000167026375 346696326 /nfs/dbraw/zinc/69/63/26/346696326.db2.gz PWPBVNJGUKDXDJ-QWRGUYRKSA-N 0 3 245.319 0.269 20 0 BCADHN CC[C@@H](C)[N@@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192850855 365849808 /nfs/dbraw/zinc/84/98/08/365849808.db2.gz ISSTVDLMVUYBLE-LDYMZIIASA-N 0 3 225.292 0.459 20 0 BCADHN CC[C@@H](C)[N@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192850855 365849813 /nfs/dbraw/zinc/84/98/13/365849813.db2.gz ISSTVDLMVUYBLE-LDYMZIIASA-N 0 3 225.292 0.459 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)CC(=O)N(C)C ZINC000037480610 346699417 /nfs/dbraw/zinc/69/94/17/346699417.db2.gz DQIDDWZZJLIUTD-SECBINFHSA-N 0 3 229.324 0.051 20 0 BCADHN CCOC(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000590010887 346763541 /nfs/dbraw/zinc/76/35/41/346763541.db2.gz ZCYGNFHKCDNMFG-NXEZZACHSA-N 0 3 212.293 0.185 20 0 BCADHN CCN(C(=O)COC)[C@@H]1CCN(CC)C1 ZINC000617933540 346732786 /nfs/dbraw/zinc/73/27/86/346732786.db2.gz STMCCRLAUXVWGS-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN C[C@@H](CCCO)NC(=O)CNC1CC1 ZINC000087360313 365865051 /nfs/dbraw/zinc/86/50/51/365865051.db2.gz AQACXJPHAPRBHY-QMMMGPOBSA-N 0 3 200.282 0.016 20 0 BCADHN Cn1cncc1CCN1CCC[C@@]12CCNC2=O ZINC000577188628 365866798 /nfs/dbraw/zinc/86/67/98/365866798.db2.gz JPKFNLOIDVTHSK-ZDUSSCGKSA-N 0 3 248.330 0.317 20 0 BCADHN Cn1cncc1CNC[C@H]1CC[C@@H](CO)O1 ZINC000378676849 346802848 /nfs/dbraw/zinc/80/28/48/346802848.db2.gz QECCUTSVRFOGCZ-MNOVXSKESA-N 0 3 225.292 0.050 20 0 BCADHN C[C@H](O)CCN1CCSC[C@H]1CO ZINC000387886520 347115314 /nfs/dbraw/zinc/11/53/14/347115314.db2.gz FVJRVDYDHZRNFA-DTWKUNHWSA-N 0 3 205.323 0.167 20 0 BCADHN CCN1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC000183731592 347134676 /nfs/dbraw/zinc/13/46/76/347134676.db2.gz AIQNCXSJNXKIFJ-UHFFFAOYSA-N 0 3 238.291 0.722 20 0 BCADHN CC(C)CNC(=O)CN[C@](C)(CO)C(C)C ZINC000309698689 347135015 /nfs/dbraw/zinc/13/50/15/347135015.db2.gz SDKMPIOEKFWVQE-GFCCVEGCSA-N 0 3 230.352 0.755 20 0 BCADHN Cc1cccc(OC[C@@H](C)NC(=O)CN)c1 ZINC000237416449 179170773 /nfs/dbraw/zinc/17/07/73/179170773.db2.gz MWBKIFZVXYDLBN-SNVBAGLBSA-N 0 3 222.288 0.837 20 0 BCADHN C[C@@H]1CN(CC(=O)N2CCNC2=O)[C@@H](C)[C@H]1C ZINC000582052947 347141737 /nfs/dbraw/zinc/14/17/37/347141737.db2.gz SDDWXLXRAZDFGJ-UTLUCORTSA-N 0 3 239.319 0.515 20 0 BCADHN CC[C@H](O)CN[C@H]1CC(=O)N(C(C)C)C1 ZINC000582057626 347152894 /nfs/dbraw/zinc/15/28/94/347152894.db2.gz XMZPJDGJKYFAIF-UWVGGRQHSA-N 0 3 214.309 0.356 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N[C@@H](C)COC)C1 ZINC000641832087 362779975 /nfs/dbraw/zinc/77/99/75/362779975.db2.gz MDFKJRZCPAQMEK-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN OC[C@@H]1CSCCN1C[C@@H]1CCCC[C@H]1O ZINC000388135251 347204083 /nfs/dbraw/zinc/20/40/83/347204083.db2.gz FAZRACDEKLVXKY-QJPTWQEYSA-N 0 3 245.388 0.947 20 0 BCADHN CC(C)NC(=O)NCCN1CCC[C@@H](O)CC1 ZINC000563051627 347205711 /nfs/dbraw/zinc/20/57/11/347205711.db2.gz AOSFAPOICWPEDF-LLVKDONJSA-N 0 3 243.351 0.541 20 0 BCADHN CC[C@@H](CN1CCC[C@@H]1C(=O)NC)OC ZINC000419211719 192104686 /nfs/dbraw/zinc/10/46/86/192104686.db2.gz STJHXCXHNCFLFO-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN COC[C@@H](C)CN1CCO[C@H](COC)C1 ZINC000187328956 347253221 /nfs/dbraw/zinc/25/32/21/347253221.db2.gz JOHXTUXZKUJPAZ-QWRGUYRKSA-N 0 3 217.309 0.616 20 0 BCADHN CC(C)[C@H](O)CN1CCSC[C@@H]1CO ZINC000388212152 347238780 /nfs/dbraw/zinc/23/87/80/347238780.db2.gz VJVMTNDDJWCGBM-VHSXEESVSA-N 0 3 219.350 0.413 20 0 BCADHN CO[C@@H](CNCCC(N)=O)c1ccccc1 ZINC000382248736 347249083 /nfs/dbraw/zinc/24/90/83/347249083.db2.gz INFQZXPFFUWXCR-NSHDSACASA-N 0 3 222.288 0.839 20 0 BCADHN CS(=O)(=O)CCCNCC1(F)CC1 ZINC000388238959 347257225 /nfs/dbraw/zinc/25/72/25/347257225.db2.gz PWOXPZNWOXDWNP-UHFFFAOYSA-N 0 3 209.286 0.513 20 0 BCADHN Cc1nccn1CCN[C@@H](C)CS(C)(=O)=O ZINC000081903463 347259373 /nfs/dbraw/zinc/25/93/73/347259373.db2.gz QBEOYMZGGISEEE-VIFPVBQESA-N 0 3 245.348 0.214 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@H](N)CC(F)F ZINC000310307304 347261217 /nfs/dbraw/zinc/26/12/17/347261217.db2.gz SAFWZIWLTPRPCN-RKDXNWHRSA-N 0 3 249.305 0.569 20 0 BCADHN CCOC[C@H](O)CN1C[C@@H](O)C(C)(C)C1 ZINC000388253610 347268363 /nfs/dbraw/zinc/26/83/63/347268363.db2.gz VSOQBXPUPJPAMX-NXEZZACHSA-N 0 3 217.309 0.087 20 0 BCADHN O[C@@]1(CNCC2(F)CC2)CCSC1 ZINC000388274648 347283526 /nfs/dbraw/zinc/28/35/26/347283526.db2.gz IKECBSURGAKAGD-SECBINFHSA-N 0 3 205.298 0.946 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N1CCNCC1 ZINC000019977183 347332019 /nfs/dbraw/zinc/33/20/19/347332019.db2.gz CZHQSNXHWHWGSD-VIFPVBQESA-N 0 3 213.325 0.195 20 0 BCADHN CCN1CCCN(C(=O)CN(C)C)CC1 ZINC000335845391 347348180 /nfs/dbraw/zinc/34/81/80/347348180.db2.gz SHSMIUGLEBTFOY-UHFFFAOYSA-N 0 3 213.325 0.102 20 0 BCADHN CC[C@@]1(CO)CCCN1CC(=O)NC(C)C ZINC000189691395 347309385 /nfs/dbraw/zinc/30/93/85/347309385.db2.gz KGFDWSBMOMHFCL-LBPRGKRZSA-N 0 3 228.336 0.748 20 0 BCADHN Cc1nn(C)c(C)c1CNC(=O)[C@H](C)N ZINC000082255776 347317811 /nfs/dbraw/zinc/31/78/11/347317811.db2.gz TWLGDPLAXXQRTF-LURJTMIESA-N 0 3 210.281 0.000 20 0 BCADHN O=C(CC[C@@H]1CCCO1)N1CCCNCC1 ZINC000082263433 347320243 /nfs/dbraw/zinc/32/02/43/347320243.db2.gz YHQLBSBFKCFOIM-NSHDSACASA-N 0 3 226.320 0.768 20 0 BCADHN CCOC(=O)CC(=O)N(C)C1CCN(C)CC1 ZINC000082264722 347320315 /nfs/dbraw/zinc/32/03/15/347320315.db2.gz NDGDVONVXPKWCI-UHFFFAOYSA-N 0 3 242.319 0.492 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCc1nccs1 ZINC000394843724 323144026 /nfs/dbraw/zinc/14/40/26/323144026.db2.gz YLCDUEDJRUNBJD-SSDOTTSWSA-N 0 3 225.317 0.900 20 0 BCADHN C[C@@H](CNC[C@@H](C)S(C)(=O)=O)C[C@H](C)O ZINC000571446310 323144889 /nfs/dbraw/zinc/14/48/89/323144889.db2.gz QSHBYEKBGKZVRQ-KXUCPTDWSA-N 0 3 237.365 0.416 20 0 BCADHN COCC(COC)N[C@H](COC)C1CC1 ZINC000388409444 347390449 /nfs/dbraw/zinc/39/04/49/347390449.db2.gz WHAMVZSCMONKRL-LLVKDONJSA-N 0 3 217.309 0.662 20 0 BCADHN CCOCCCCNC(=O)[C@H](C)NC ZINC000388419621 347397004 /nfs/dbraw/zinc/39/70/04/347397004.db2.gz GVMNNCUGRMENSU-VIFPVBQESA-N 0 3 202.298 0.527 20 0 BCADHN NC1(C(=O)NCC2CCOCC2)CCC1 ZINC000088051176 362841086 /nfs/dbraw/zinc/84/10/86/362841086.db2.gz KMOTVZRWBVATOQ-UHFFFAOYSA-N 0 3 212.293 0.411 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)Cc1c[nH]cn1)N(C)C ZINC000616924349 347455173 /nfs/dbraw/zinc/45/51/73/347455173.db2.gz FPMPSRYJELXXFJ-NSHDSACASA-N 0 3 238.335 0.954 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2nccnc2N)CCN1 ZINC000621155009 347421930 /nfs/dbraw/zinc/42/19/30/347421930.db2.gz WVLDSIAJRNLJPV-VIFPVBQESA-N 0 3 249.318 0.129 20 0 BCADHN COCC(COC)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000388478873 347423920 /nfs/dbraw/zinc/42/39/20/347423920.db2.gz SURYIUGZKAAWBW-QWRGUYRKSA-N 0 3 242.363 0.863 20 0 BCADHN CCCN(C)CC(=O)N(C)Cc1c[nH]cn1 ZINC000616925382 347456300 /nfs/dbraw/zinc/45/63/00/347456300.db2.gz FVYSOTPINBUXFB-UHFFFAOYSA-N 0 3 224.308 0.710 20 0 BCADHN CCCN(C)CC(=O)N(C)Cc1cnc[nH]1 ZINC000616925382 347456304 /nfs/dbraw/zinc/45/63/04/347456304.db2.gz FVYSOTPINBUXFB-UHFFFAOYSA-N 0 3 224.308 0.710 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2C)CCN1 ZINC000621156845 347445833 /nfs/dbraw/zinc/44/58/33/347445833.db2.gz JNEUCWHYQDTYRV-WOPDTQHZSA-N 0 3 240.347 0.868 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C)CCN1 ZINC000621156843 347445995 /nfs/dbraw/zinc/44/59/95/347445995.db2.gz JNEUCWHYQDTYRV-TUAOUCFPSA-N 0 3 240.347 0.868 20 0 BCADHN Cc1csc(NC(=O)[C@@H]2C[C@H](O)CN2)n1 ZINC000020434471 347448289 /nfs/dbraw/zinc/44/82/89/347448289.db2.gz KMBIFNWKLVMUMB-BQBZGAKWSA-N 0 3 227.289 0.113 20 0 BCADHN Cc1cccc2nc(CNC(=O)[C@@H](C)N)cn21 ZINC000083909215 179229648 /nfs/dbraw/zinc/22/96/48/179229648.db2.gz UUMDKCCXCUUATJ-SECBINFHSA-N 0 3 232.287 0.606 20 0 BCADHN COC(=O)C1(CN2CCc3cn[nH]c3C2)CC1 ZINC000590709120 347498813 /nfs/dbraw/zinc/49/88/13/347498813.db2.gz FZOICNPHRJUYOQ-UHFFFAOYSA-N 0 3 235.287 0.721 20 0 BCADHN COCCCN(C)C(=O)C1(N)CCC1 ZINC000088051093 362841255 /nfs/dbraw/zinc/84/12/55/362841255.db2.gz BDMCYNZAHQALBM-UHFFFAOYSA-N 0 3 200.282 0.363 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2cncn2C)CCN1 ZINC000621157976 347490400 /nfs/dbraw/zinc/49/04/00/347490400.db2.gz FXFIFLZCQHASQH-SNVBAGLBSA-N 0 3 236.319 0.490 20 0 BCADHN CC(C)C(=O)NCCNCc1cncn1C ZINC000082393916 347462421 /nfs/dbraw/zinc/46/24/21/347462421.db2.gz RWRMSNZYUGYSRK-UHFFFAOYSA-N 0 3 224.308 0.282 20 0 BCADHN CSCC[C@H](N)C(=O)NCc1cccnc1 ZINC000011754940 347467225 /nfs/dbraw/zinc/46/72/25/347467225.db2.gz IIVQHPLTELHGSZ-JTQLQIEISA-N 0 3 239.344 0.778 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)CC[C@H]1CCNC1=O ZINC000590606051 347477053 /nfs/dbraw/zinc/47/70/53/347477053.db2.gz WHAWQSGUZJBEEO-LYGAQUJYSA-N 0 3 246.376 0.211 20 0 BCADHN C[C@@H](C[S@@](C)=O)N(C)CCc1c[nH]nn1 ZINC000590606106 347477195 /nfs/dbraw/zinc/47/71/95/347477195.db2.gz YANLWBJVMKJGGU-VXJOIVPMSA-N 0 3 230.337 0.046 20 0 BCADHN COC(=O)c1ccc(CNC[C@@H](C)O)n1C ZINC000590594337 347478600 /nfs/dbraw/zinc/47/86/00/347478600.db2.gz QCIIHSLTLVIVHM-MRVPVSSYSA-N 0 3 226.276 0.282 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CC[C@@H]([C@H](C)O)C1 ZINC000252786287 347503992 /nfs/dbraw/zinc/50/39/92/347503992.db2.gz ZLGIOUPUZFHPDQ-AXFHLTTASA-N 0 3 245.319 0.003 20 0 BCADHN Cc1nccnc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000621159330 347505370 /nfs/dbraw/zinc/50/53/70/347505370.db2.gz IYNMIZCXZXVENB-NSHDSACASA-N 0 3 248.330 0.855 20 0 BCADHN COCC1(C)CCN(C(=O)[C@H](CN)OC)CC1 ZINC000577218886 365887163 /nfs/dbraw/zinc/88/71/63/365887163.db2.gz OEYBUHPXSRUPBW-JTQLQIEISA-N 0 3 244.335 0.235 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@H](C)NC1CC1 ZINC000382960332 347508243 /nfs/dbraw/zinc/50/82/43/347508243.db2.gz OHJVKYCBNOTEJM-YUMQZZPRSA-N 0 3 228.292 0.195 20 0 BCADHN CC[C@@H](N)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000577222001 365887698 /nfs/dbraw/zinc/88/76/98/365887698.db2.gz CFSURQJVQQUEOZ-NEPJUHHUSA-N 0 3 248.330 0.292 20 0 BCADHN CCOC(=O)CCNC(=O)[C@H](C)NC1CC1 ZINC000382957310 347509878 /nfs/dbraw/zinc/50/98/78/347509878.db2.gz NIFHOBLRQMEZTE-QMMMGPOBSA-N 0 3 228.292 0.196 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)C2CC(C)(O)C2)CCN1 ZINC000621161381 347518082 /nfs/dbraw/zinc/51/80/82/347518082.db2.gz YCZDEMOVZFXFDU-AKJDGMEZSA-N 0 3 240.347 0.604 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)C[C@@H]1CCCO1 ZINC000382975554 347518100 /nfs/dbraw/zinc/51/81/00/347518100.db2.gz SJZJDNHSNUFDMQ-ONGXEEELSA-N 0 3 226.320 0.764 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)Cc2cncnc2)CCN1 ZINC000621158452 347502672 /nfs/dbraw/zinc/50/26/72/347502672.db2.gz PPZAONPBFATPSW-LBPRGKRZSA-N 0 3 248.330 0.476 20 0 BCADHN COC(=O)[C@](C)(O)CN1CC[C@@H](SC)C1 ZINC000382941265 347502976 /nfs/dbraw/zinc/50/29/76/347502976.db2.gz IUWQSKMPWXSYSZ-PSASIEDQSA-N 0 3 233.333 0.348 20 0 BCADHN CN1CCC[C@H](NC(=O)NC[C@H](O)C2CC2)C1 ZINC000590859833 347575550 /nfs/dbraw/zinc/57/55/50/347575550.db2.gz SHOQLCHIRLVGLV-QWRGUYRKSA-N 0 3 241.335 0.151 20 0 BCADHN CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H](O)C1CC1 ZINC000617006821 347576266 /nfs/dbraw/zinc/57/62/66/347576266.db2.gz HFTQMRHYFPPNOO-MNOVXSKESA-N 0 3 240.347 0.746 20 0 BCADHN CC(C)[C@@H](O)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617007350 347577083 /nfs/dbraw/zinc/57/70/83/347577083.db2.gz RBVAOMRVGULEHD-WDEREUQCSA-N 0 3 242.363 0.992 20 0 BCADHN CCc1ncncc1C(=O)NC1CCN(C)CC1 ZINC000590880657 347577142 /nfs/dbraw/zinc/57/71/42/347577142.db2.gz JFQBOFFPRNQJEM-UHFFFAOYSA-N 0 3 248.330 0.863 20 0 BCADHN CC(C)[C@H](O)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617007349 347577264 /nfs/dbraw/zinc/57/72/64/347577264.db2.gz RBVAOMRVGULEHD-QWRGUYRKSA-N 0 3 242.363 0.992 20 0 BCADHN CN1CCC[C@@H](NC(=O)N[C@H]2CCC[C@@H]2O)C1 ZINC000636624329 347578691 /nfs/dbraw/zinc/57/86/91/347578691.db2.gz QVTVJOCZICYGOT-VWYCJHECSA-N 0 3 241.335 0.293 20 0 BCADHN CN1CCC[C@H](NC(=O)N[C@H]2CCC[C@@H]2O)C1 ZINC000636624328 347578810 /nfs/dbraw/zinc/57/88/10/347578810.db2.gz QVTVJOCZICYGOT-DCAQKATOSA-N 0 3 241.335 0.293 20 0 BCADHN CSC[C@@H](O)CN1CCC[C@@H]2COC[C@@H]21 ZINC000590971731 347598406 /nfs/dbraw/zinc/59/84/06/347598406.db2.gz JEUKFXFOWJWCGD-VWYCJHECSA-N 0 3 231.361 0.821 20 0 BCADHN O=C(c1cocn1)N1CC[C@@H](N2CCCC2)C1 ZINC000591188057 347631578 /nfs/dbraw/zinc/63/15/78/347631578.db2.gz OTRGQEMKRYVMIN-SNVBAGLBSA-N 0 3 235.287 0.985 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N1CC=CC1 ZINC000636644951 347647937 /nfs/dbraw/zinc/64/79/37/347647937.db2.gz MHVUVIPRICJKIP-JTQLQIEISA-N 0 3 209.293 0.662 20 0 BCADHN CCN(C(=O)[C@H](N)CCC(=O)OC)C1CCC1 ZINC000343468434 133685576 /nfs/dbraw/zinc/68/55/76/133685576.db2.gz DMWHUZGGNLKFSE-SNVBAGLBSA-N 0 3 242.319 0.668 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NC[C@H]1C[C@@H](O)C1 ZINC000636645998 347654162 /nfs/dbraw/zinc/65/41/62/347654162.db2.gz UDRJJMBCQJIRSG-MXWKQRLJSA-N 0 3 241.335 0.151 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NC[C@H]1C[C@@H](O)C1 ZINC000636645996 347654180 /nfs/dbraw/zinc/65/41/80/347654180.db2.gz UDRJJMBCQJIRSG-GARJFASQSA-N 0 3 241.335 0.151 20 0 BCADHN COC(=O)CCCNC(=O)[C@H]1NCC1(C)C ZINC000591674135 347684542 /nfs/dbraw/zinc/68/45/42/347684542.db2.gz HJMRWIWBYMATCV-SECBINFHSA-N 0 3 228.292 0.054 20 0 BCADHN CC[C@](C)(NC(=O)[C@@H]1NCC1(C)C)C(=O)OC ZINC000591671822 347684601 /nfs/dbraw/zinc/68/46/01/347684601.db2.gz LOQOFZHGUOMTAC-UFBFGSQYSA-N 0 3 242.319 0.442 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@@H]1NCC1(C)C)C(C)C ZINC000591675081 347684829 /nfs/dbraw/zinc/68/48/29/347684829.db2.gz QVUFVRYOXDEABS-IUCAKERBSA-N 0 3 242.319 0.298 20 0 BCADHN CC(C)OC(=O)CCNC[C@H](O)C(F)(F)F ZINC000591723950 347688886 /nfs/dbraw/zinc/68/88/86/347688886.db2.gz TYQUJRDYTNWAEY-ZETCQYMHSA-N 0 3 243.225 0.841 20 0 BCADHN C[C@H]([C@H](C)NCc1cn[nH]c1)N1CCOCC1 ZINC000591726760 347693489 /nfs/dbraw/zinc/69/34/89/347693489.db2.gz UNJCHZSMTXVXGH-WDEREUQCSA-N 0 3 238.335 0.609 20 0 BCADHN COC[C@@H](C)CN1CC(C)(C(=O)OC)C1 ZINC000591839592 347704053 /nfs/dbraw/zinc/70/40/53/347704053.db2.gz HCGJOWWTQWRHHZ-VIFPVBQESA-N 0 3 215.293 0.764 20 0 BCADHN Cc1ccccc1CNC(=O)CN1CCNCC1 ZINC000019976579 179277525 /nfs/dbraw/zinc/27/75/25/179277525.db2.gz ALBWVXIDUSYBRK-UHFFFAOYSA-N 0 3 247.342 0.516 20 0 BCADHN CCC[C@@H](C)NC(=O)[C@H](N)CCC(=O)OC ZINC000591910862 347715473 /nfs/dbraw/zinc/71/54/73/347715473.db2.gz FUQVWNPMCIGNPC-RKDXNWHRSA-N 0 3 230.308 0.572 20 0 BCADHN NC(=O)Cc1ccc(CN[C@H]2CCCOC2)cc1 ZINC000592291093 347765558 /nfs/dbraw/zinc/76/55/58/347765558.db2.gz POJQPRUNWGGKKG-ZDUSSCGKSA-N 0 3 248.326 0.983 20 0 BCADHN CSC[C@H](O)CN[C@H](C)[C@H](O)C(F)(F)F ZINC000592431305 347777788 /nfs/dbraw/zinc/77/77/88/347777788.db2.gz RSYHDAMRLJTWRV-QYNIQEEDSA-N 0 3 247.282 0.612 20 0 BCADHN COC(=O)CCCCNC(=O)[C@@H]1NCC1(C)C ZINC000592060973 347732240 /nfs/dbraw/zinc/73/22/40/347732240.db2.gz FTYWWCHWTRQQGK-JTQLQIEISA-N 0 3 242.319 0.444 20 0 BCADHN COC(=O)[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1C ZINC000592129843 347740076 /nfs/dbraw/zinc/74/00/76/347740076.db2.gz ZKKJCWDUKGOXIH-OPRDCNLKSA-N 0 3 240.303 0.006 20 0 BCADHN Cc1ccccc1CS(=O)(=O)C(C)C(N)=O ZINC000046094176 179287024 /nfs/dbraw/zinc/28/70/24/179287024.db2.gz LMBJITBQSVHXDC-VIFPVBQESA-N 0 3 241.312 0.784 20 0 BCADHN COC(=O)[C@@H]1C[C@H](O)CN(CC2=CCCC2)C1 ZINC000592192245 347749554 /nfs/dbraw/zinc/74/95/54/347749554.db2.gz HGLUFGHINDZYLS-NEPJUHHUSA-N 0 3 239.315 0.953 20 0 BCADHN COC(=O)[C@@H]1C[C@@H](O)CN(CCCCCO)C1 ZINC000592194938 347750247 /nfs/dbraw/zinc/75/02/47/347750247.db2.gz FYJFJMMFKNHLBP-GHMZBOCLSA-N 0 3 245.319 0.005 20 0 BCADHN NC(=O)NC(=O)CN1CCCC[C@H]1C1CCC1 ZINC000592197729 347751002 /nfs/dbraw/zinc/75/10/02/347751002.db2.gz IJZHGGKVEHYJEX-JTQLQIEISA-N 0 3 239.319 0.836 20 0 BCADHN COC(=O)[C@H]1C[C@H](O)CN(CCCSC)C1 ZINC000592200002 347751590 /nfs/dbraw/zinc/75/15/90/347751590.db2.gz RYSBNAKAJYVGQS-UWVGGRQHSA-N 0 3 247.360 0.595 20 0 BCADHN COC(=O)[C@H]1C[C@H](O)CN(CCCCCF)C1 ZINC000592208677 347757850 /nfs/dbraw/zinc/75/78/50/347757850.db2.gz UQIZBUUYUYBTGT-QWRGUYRKSA-N 0 3 247.310 0.982 20 0 BCADHN CSCC[C@@H](N)C(=O)NCc1cc(C)n[nH]1 ZINC000592532597 347796945 /nfs/dbraw/zinc/79/69/45/347796945.db2.gz MAVKYALRBDSNJY-SECBINFHSA-N 0 3 242.348 0.415 20 0 BCADHN CSCC[C@@H](N)C(=O)NCc1cc(C)[nH]n1 ZINC000592532597 347796947 /nfs/dbraw/zinc/79/69/47/347796947.db2.gz MAVKYALRBDSNJY-SECBINFHSA-N 0 3 242.348 0.415 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C(=O)OC)C(C)(C)C ZINC000592532287 347797031 /nfs/dbraw/zinc/79/70/31/347797031.db2.gz FEZJJMHLSKPYKT-JGVFFNPUSA-N 0 3 230.308 0.428 20 0 BCADHN COC(=O)C12CC(C(=O)NCCN(C)C)(C1)C2 ZINC000592746207 347809445 /nfs/dbraw/zinc/80/94/45/347809445.db2.gz OZNGPYIYXZRADU-UHFFFAOYSA-N 0 3 240.303 0.008 20 0 BCADHN COC(=O)[C@H]1CNCCCN1CCCCCF ZINC000592486453 347787021 /nfs/dbraw/zinc/78/70/21/347787021.db2.gz FNOVSEKDHWPGLO-LLVKDONJSA-N 0 3 246.326 0.963 20 0 BCADHN COC(=O)[C@H]1CNCCCN1CCCF ZINC000592486846 347787071 /nfs/dbraw/zinc/78/70/71/347787071.db2.gz MQTVSSUWTBRFSM-SECBINFHSA-N 0 3 218.272 0.183 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H]1CO[C@@H](C)C1 ZINC000592470809 347789861 /nfs/dbraw/zinc/78/98/61/347789861.db2.gz IWZDKOXYFRWTGZ-ZRUFSTJUSA-N 0 3 242.319 0.047 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCNCC1(C)C ZINC000592473499 347790540 /nfs/dbraw/zinc/79/05/40/347790540.db2.gz ZUMDKNUCNYAYAC-DTWKUNHWSA-N 0 3 240.303 0.006 20 0 BCADHN O=[S@@]1C[C@@H]2C[C@H]1CN2C[C@H]1CCOC1 ZINC000593102738 347858898 /nfs/dbraw/zinc/85/88/98/347858898.db2.gz VAVWLIKMMWAJGW-MAGOMRGPSA-N 0 3 215.318 0.228 20 0 BCADHN COCCN(CC(=O)OC)C[C@H]1CCCN1C ZINC000593012744 347840835 /nfs/dbraw/zinc/84/08/35/347840835.db2.gz YKKYMAJIOROIFE-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN CCN(CCSC)C[C@@H]1CCC(=O)N1 ZINC000593035261 347842809 /nfs/dbraw/zinc/84/28/09/347842809.db2.gz RHYWXLZPRHONDV-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN COC[C@@H](O)CN1CCC[C@@H](OC(F)F)C1 ZINC000679678196 488363850 /nfs/dbraw/zinc/36/38/50/488363850.db2.gz KLMNNWCVPYGVGX-DTWKUNHWSA-N 0 3 239.262 0.697 20 0 BCADHN COC(=O)C[C@H]1CCCN1C[C@@H]1CCC(=O)N1 ZINC000593022658 347846757 /nfs/dbraw/zinc/84/67/57/347846757.db2.gz JOCNRTUGLVAXGT-VHSXEESVSA-N 0 3 240.303 0.293 20 0 BCADHN COC(=O)[C@@H]1C[C@H](F)CN1C[C@H]1CCCN1C ZINC000593029292 347847548 /nfs/dbraw/zinc/84/75/48/347847548.db2.gz RTLCDSRCEHZZKJ-AXFHLTTASA-N 0 3 244.310 0.666 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1CCCC(=O)OC ZINC000593061517 347848663 /nfs/dbraw/zinc/84/86/63/347848663.db2.gz QRSQEPZKCYLUQP-VHSXEESVSA-N 0 3 231.292 0.021 20 0 BCADHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1c(C)noc1C ZINC000082579224 347853795 /nfs/dbraw/zinc/85/37/95/347853795.db2.gz UQPIMQUWVHXLPD-QMMMGPOBSA-N 0 3 247.320 0.307 20 0 BCADHN CC[C@@H](SC)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000592961157 347835431 /nfs/dbraw/zinc/83/54/31/347835431.db2.gz DSZWJRLGKCHAPX-XHNCKOQMSA-N 0 3 234.340 0.944 20 0 BCADHN O=[S@]1C[C@@H]2C[C@H]1CN2C[C@H]1CCOC1 ZINC000593102735 347858778 /nfs/dbraw/zinc/85/87/78/347858778.db2.gz VAVWLIKMMWAJGW-YCWTYVPXSA-N 0 3 215.318 0.228 20 0 BCADHN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CN)C1 ZINC000592968542 347836229 /nfs/dbraw/zinc/83/62/29/347836229.db2.gz REKLYOAMEFOLBV-VIFPVBQESA-N 0 3 242.319 0.383 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CC[C@@]2(CC2(F)F)C1 ZINC000593119147 347862584 /nfs/dbraw/zinc/86/25/84/347862584.db2.gz VBVGIKZHZTUFQU-VHSXEESVSA-N 0 3 249.257 0.642 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)CC[C@H](C)O ZINC000253010764 347870249 /nfs/dbraw/zinc/87/02/49/347870249.db2.gz BWWGKCLVFCAFKX-UWVGGRQHSA-N 0 3 233.308 0.003 20 0 BCADHN COC[C@@H](C)CN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593693557 347929084 /nfs/dbraw/zinc/92/90/84/347929084.db2.gz OOLKJSZBXZCRSQ-QSDJMHMYSA-N 0 3 217.334 0.474 20 0 BCADHN CN(C)C/C=C/C(=O)NCCOC(F)(F)F ZINC000493616796 347930761 /nfs/dbraw/zinc/93/07/61/347930761.db2.gz AENMRIXBVDOKDX-ONEGZZNKSA-N 0 3 240.225 0.757 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000577392155 365944445 /nfs/dbraw/zinc/94/44/45/365944445.db2.gz QAFWUHDUECEKOH-JTLRNRKASA-N 0 3 238.331 0.811 20 0 BCADHN COC(=O)CC1(NC(=O)[C@@H]2NCC2(C)C)CC1 ZINC000593916705 347971101 /nfs/dbraw/zinc/97/11/01/347971101.db2.gz NUOLZQVNLMTABP-VIFPVBQESA-N 0 3 240.303 0.196 20 0 BCADHN Cn1c(CNC(CO)CO)cc2ccccc21 ZINC000638697519 352535883 /nfs/dbraw/zinc/53/58/83/352535883.db2.gz LLUXHBQLECBMIM-UHFFFAOYSA-N 0 3 234.299 0.621 20 0 BCADHN C[C@@H](O)[C@@H]1CCCN(CCN2CCCC2=O)C1 ZINC000305655503 323170997 /nfs/dbraw/zinc/17/09/97/323170997.db2.gz WAZRUGHHRPWQGF-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN O=C1NCC[C@]12CCCN2C[C@H]1CCCCO1 ZINC000577409505 365948863 /nfs/dbraw/zinc/94/88/63/365948863.db2.gz ZHQDSNKVIMPWNA-DGCLKSJQSA-N 0 3 238.331 0.910 20 0 BCADHN C[C@@H]1C[C@@H](N[C@@H]2CCCS(=O)(=O)C2)CO1 ZINC000401807764 347942831 /nfs/dbraw/zinc/94/28/31/347942831.db2.gz CPJUJZVIFJODGJ-OPRDCNLKSA-N 0 3 233.333 0.331 20 0 BCADHN C[C@@H](N)C(=O)N1CCc2c(O)cccc2C1 ZINC000638700170 352536415 /nfs/dbraw/zinc/53/64/15/352536415.db2.gz YWWPLUWAVLENNU-MRVPVSSYSA-N 0 3 220.272 0.624 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NCCOC ZINC000202394806 348017335 /nfs/dbraw/zinc/01/73/35/348017335.db2.gz MMTAUQSXHAGYLJ-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccnc(C)n1 ZINC000038038150 348032708 /nfs/dbraw/zinc/03/27/08/348032708.db2.gz RJNAQEXTGIJSSJ-KCJUWKMLSA-N 0 3 236.319 0.775 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000616305602 348034292 /nfs/dbraw/zinc/03/42/92/348034292.db2.gz DCJOMNWEFKQWEE-MRVPVSSYSA-N 0 3 208.265 0.234 20 0 BCADHN CC(C)C(=O)NCCNCC1(F)CC1 ZINC000308506376 323175165 /nfs/dbraw/zinc/17/51/65/323175165.db2.gz IVMXNJAJXRIVLO-UHFFFAOYSA-N 0 3 202.273 0.850 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000233996649 490125601 /nfs/dbraw/zinc/12/56/01/490125601.db2.gz HAEUDAXMFRUKAI-HOTUBEGUSA-N 0 3 241.335 0.084 20 0 BCADHN C[C@@H]1CN(C(=O)CC(F)(F)CN)[C@@H](C)CN1 ZINC000567057621 323174172 /nfs/dbraw/zinc/17/41/72/323174172.db2.gz RTHFGQGOAFTJTE-SFYZADRCSA-N 0 3 235.278 0.179 20 0 BCADHN Cc1ccccc1[C@H](O)CN[C@@H](C)CC(N)=O ZINC000267173979 179344871 /nfs/dbraw/zinc/34/48/71/179344871.db2.gz AMWGGXSYRYIDKN-CMPLNLGQSA-N 0 3 236.315 0.882 20 0 BCADHN CCOC(=O)CCN(C(=O)CNC)C(C)C ZINC000594456986 348059905 /nfs/dbraw/zinc/05/99/05/348059905.db2.gz UOWDMKFACBHLOQ-UHFFFAOYSA-N 0 3 230.308 0.396 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)CCC(C)=O ZINC000203075300 348099382 /nfs/dbraw/zinc/09/93/82/348099382.db2.gz WZOWUDMJRBHSRE-LLVKDONJSA-N 0 3 226.320 0.956 20 0 BCADHN CCCS(=O)(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000594772002 348112173 /nfs/dbraw/zinc/11/21/73/348112173.db2.gz YIFHUDWAHBKLQN-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN CCn1cnc(C(=O)N[C@H]2CCN(CC)C2)c1 ZINC000616307182 348120474 /nfs/dbraw/zinc/12/04/74/348120474.db2.gz HWKBCGTTXAULOH-JTQLQIEISA-N 0 3 236.319 0.727 20 0 BCADHN COC(=O)c1cc(CNC[C@@H](C)O)c(C)o1 ZINC000594605957 348081543 /nfs/dbraw/zinc/08/15/43/348081543.db2.gz OHIIOSKHTJGTAH-SSDOTTSWSA-N 0 3 227.260 0.845 20 0 BCADHN COC(=O)C1(n2cc(C(C)(C)N)nn2)CC1 ZINC000594649085 348087649 /nfs/dbraw/zinc/08/76/49/348087649.db2.gz GYLKVSAEGJTPFA-UHFFFAOYSA-N 0 3 224.264 0.134 20 0 BCADHN CCC[C@@H](N)c1cn(C2(C(=O)OC)CC2)nn1 ZINC000594650144 348088694 /nfs/dbraw/zinc/08/86/94/348088694.db2.gz SIMVDVHYULSCCJ-MRVPVSSYSA-N 0 3 238.291 0.740 20 0 BCADHN CCOC(=O)[C@@H](C)n1cc(CCN(C)C)nn1 ZINC000594653319 348091139 /nfs/dbraw/zinc/09/11/39/348091139.db2.gz WGTKIMIDMTZDJY-SECBINFHSA-N 0 3 240.307 0.506 20 0 BCADHN CCOC(=O)Cn1cc([C@H](N)CC)nn1 ZINC000594639792 348097109 /nfs/dbraw/zinc/09/71/09/348097109.db2.gz CGAMXYRYSXUKNA-SSDOTTSWSA-N 0 3 212.253 0.251 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@H]1CC(=O)N(C)C1 ZINC000594926972 348138530 /nfs/dbraw/zinc/13/85/30/348138530.db2.gz PPIRTBDWBFGMKT-AXTSPUMRSA-N 0 3 240.303 0.004 20 0 BCADHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)N[C@H]1COC[C@H]1OC ZINC000594947332 348146049 /nfs/dbraw/zinc/14/60/49/348146049.db2.gz ZCZKQIKLWIBNTH-NZHYYXIDSA-N 0 3 243.303 0.187 20 0 BCADHN COC(=O)[C@@H]1C[C@H]1[C@H](C)N[C@H]1COC[C@H]1OC ZINC000594947333 348146177 /nfs/dbraw/zinc/14/61/77/348146177.db2.gz ZCZKQIKLWIBNTH-QUARPLMYSA-N 0 3 243.303 0.187 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCc1ccnn1C ZINC000594915907 348152084 /nfs/dbraw/zinc/15/20/84/348152084.db2.gz XIBHHZDDJKTZMJ-FBIMIBRVSA-N 0 3 237.303 0.707 20 0 BCADHN COC(=O)c1cc(CNC/C=C\CO)cn1C ZINC000594975737 348162482 /nfs/dbraw/zinc/16/24/82/348162482.db2.gz SYZZYJCYGYNFFP-ARJAWSKDSA-N 0 3 238.287 0.450 20 0 BCADHN COC[C@@H](CO)N[C@H](C)CSCCF ZINC000595047730 348179923 /nfs/dbraw/zinc/17/99/23/348179923.db2.gz DWFLYBLLUJFROT-RKDXNWHRSA-N 0 3 225.329 0.675 20 0 BCADHN COC(=O)CCN1CC[C@H](N2CCCC2)C1=O ZINC000595291722 348214234 /nfs/dbraw/zinc/21/42/34/348214234.db2.gz MJNCQZHVGZWTHD-JTQLQIEISA-N 0 3 240.303 0.246 20 0 BCADHN COC[C@H](CN1CC[C@H](C(=O)OC)C1)OC ZINC000595293938 348215290 /nfs/dbraw/zinc/21/52/90/348215290.db2.gz VDEVRYUNLBXTKF-UWVGGRQHSA-N 0 3 231.292 0.143 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N(C)[C@H]2CCOC2)C1 ZINC000253165017 348219699 /nfs/dbraw/zinc/21/96/99/348219699.db2.gz YPXYUERSOCEAGS-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1cccnc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358071837 179365475 /nfs/dbraw/zinc/36/54/75/179365475.db2.gz XMDXZRSZJHJYQO-ZDUSSCGKSA-N 0 3 249.314 0.186 20 0 BCADHN CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)[C@H](C)N ZINC000595259412 348205574 /nfs/dbraw/zinc/20/55/74/348205574.db2.gz MMGKJZPPRNWFJW-HOTUBEGUSA-N 0 3 242.319 0.572 20 0 BCADHN Cc1cccnc1CN(C)CCC(N)=O ZINC000286532670 179370778 /nfs/dbraw/zinc/37/07/78/179370778.db2.gz RILJHUIRSAQOAR-UHFFFAOYSA-N 0 3 207.277 0.697 20 0 BCADHN Cc1cccnc1CN(C[C@H](C)O)[C@@H](C)CO ZINC000190837292 179371948 /nfs/dbraw/zinc/37/19/48/179371948.db2.gz ZRAFXUZPZPUTEB-RYUDHWBXSA-N 0 3 238.331 0.954 20 0 BCADHN CS[C@@H]1CN(Cc2cn[nH]c2)C[C@H]1N(C)C ZINC000595402859 348239011 /nfs/dbraw/zinc/23/90/11/348239011.db2.gz FRQKFFDPQCPZMP-GHMZBOCLSA-N 0 3 240.376 0.887 20 0 BCADHN Cc1cccnc1CNC(=O)C(N)C(F)(F)F ZINC000353443976 179381587 /nfs/dbraw/zinc/38/15/87/179381587.db2.gz HDGZMAVLVHMBGV-QMMMGPOBSA-N 0 3 247.220 0.896 20 0 BCADHN CC[C@@H](CN(CC)[C@H]1CCNC1=O)OC ZINC000419258471 192116006 /nfs/dbraw/zinc/11/60/06/192116006.db2.gz BGUXSSVXXIUWOM-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H](CN1CCN2CCOC[C@@H]2C1)OC ZINC000419238865 192113875 /nfs/dbraw/zinc/11/38/75/192113875.db2.gz HSVINQQEVBUUEV-RYUDHWBXSA-N 0 3 228.336 0.428 20 0 BCADHN O=C(/C=C\c1ncc[nH]1)N1CCN2CCC1CC2 ZINC000493826310 348229188 /nfs/dbraw/zinc/22/91/88/348229188.db2.gz RCDPMXCHJOPGOR-UPHRSURJSA-N 0 3 246.314 0.730 20 0 BCADHN C[C@@H](O)CN(CCOCC1CCC1)[C@@H](C)CO ZINC000419251630 192114360 /nfs/dbraw/zinc/11/43/60/192114360.db2.gz GSOORHFIXPFVLF-NWDGAFQWSA-N 0 3 245.363 0.867 20 0 BCADHN CC[C@H](CN[C@H]1C(=O)NCC[C@@H]1C)OC ZINC000419294131 192119467 /nfs/dbraw/zinc/11/94/67/192119467.db2.gz OJJXNFNMUMRVNH-IVZWLZJFSA-N 0 3 214.309 0.526 20 0 BCADHN CCC[C@H](CC)NC(=O)C(=O)N(C)[C@H](C)CN ZINC000419256778 192116138 /nfs/dbraw/zinc/11/61/38/192116138.db2.gz HQNYGSIKMFKNDQ-ZJUUUORDSA-N 0 3 243.351 0.487 20 0 BCADHN CCC[C@@H](CC)NC(=O)C(=O)N(C)CCN ZINC000419259482 192116344 /nfs/dbraw/zinc/11/63/44/192116344.db2.gz LQYYYVIICVNBCB-SECBINFHSA-N 0 3 229.324 0.098 20 0 BCADHN CC[C@@H](CN1CCC[C@H]2C(=O)NC[C@H]21)OC ZINC000419287170 192117638 /nfs/dbraw/zinc/11/76/38/192117638.db2.gz GRRKHDGARGGIAE-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN COC(=O)[C@H]1OCC[C@H]1NC[C@H](OC)C1CC1 ZINC000595660410 348299653 /nfs/dbraw/zinc/29/96/53/348299653.db2.gz XPUMQNNCVFFFRI-VWYCJHECSA-N 0 3 243.303 0.332 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@@H]1COC(C)(C)C1 ZINC000595660063 348299706 /nfs/dbraw/zinc/29/97/06/348299706.db2.gz RMQZHPFCSJNEJU-LPEHRKFASA-N 0 3 243.303 0.474 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NCCOC(C)(C)C ZINC000595664729 348301981 /nfs/dbraw/zinc/30/19/81/348301981.db2.gz SZNODTJYZBZNTC-VHSXEESVSA-N 0 3 245.319 0.722 20 0 BCADHN CCC[C@H](O)CN1C[C@@H](C)N(CCO)C[C@H]1C ZINC000419326410 192122281 /nfs/dbraw/zinc/12/22/81/192122281.db2.gz CCCHSKKBONMTTE-UPJWGTAASA-N 0 3 244.379 0.534 20 0 BCADHN C[C@H](CNC(=O)[C@@H](N)CC(F)F)N1CCCC1 ZINC000383341373 348347678 /nfs/dbraw/zinc/34/76/78/348347678.db2.gz KQQPHOGUBWVMKQ-BDAKNGLRSA-N 0 3 249.305 0.569 20 0 BCADHN COC(=O)[C@H](C1CC1)N1C[C@H]2COC[C@@]2(C)C1 ZINC000595756489 348330412 /nfs/dbraw/zinc/33/04/12/348330412.db2.gz GMJXRCCWUVNRIU-GMXVVIOVSA-N 0 3 239.315 0.906 20 0 BCADHN CC(C)OC(=O)CCN1CC[C@@]2(O)C[C@H]2C1 ZINC000595756991 348331446 /nfs/dbraw/zinc/33/14/46/348331446.db2.gz JPRVGLCSKTUFHQ-CMPLNLGQSA-N 0 3 227.304 0.785 20 0 BCADHN NC(=O)NC(=O)CN(CCC1CC1)CC1CC1 ZINC000595872416 348386175 /nfs/dbraw/zinc/38/61/75/348386175.db2.gz YEJCFOLCVOKBHL-UHFFFAOYSA-N 0 3 239.319 0.693 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)CCC(=O)N(C)C)C1 ZINC000595848105 348355486 /nfs/dbraw/zinc/35/54/86/348355486.db2.gz MDUUFFICALGVIG-AOOOYVTPSA-N 0 3 242.319 0.348 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)CCn2ccnc2)C1 ZINC000595850444 348355763 /nfs/dbraw/zinc/35/57/63/348355763.db2.gz RPCLDJBAAPTSPI-PHIMTYICSA-N 0 3 237.303 0.767 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858497 348358523 /nfs/dbraw/zinc/35/85/23/348358523.db2.gz WMFXVYMOWBAAMJ-BDBFLJFWSA-N 0 3 239.319 0.833 20 0 BCADHN CCCN1C[C@H](C)N(CCO)C[C@@H]1C ZINC000419332020 192123352 /nfs/dbraw/zinc/12/33/52/192123352.db2.gz SIAYXKFRBHCIOB-QWRGUYRKSA-N 0 3 200.326 0.783 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H](CC(=O)OC)C1CC1 ZINC000595972266 348408286 /nfs/dbraw/zinc/40/82/86/348408286.db2.gz KMBXMWDHHJJDIW-WPRPVWTQSA-N 0 3 242.319 0.300 20 0 BCADHN CSCC[C@@H](N)C(=O)NCC(C)(F)F ZINC000595971523 348408305 /nfs/dbraw/zinc/40/83/05/348408305.db2.gz OQIGALPGEABRQN-ZCFIWIBFSA-N 0 3 226.292 0.838 20 0 BCADHN CN1CCC[C@H](N[C@@H]2CCOC2(C)C)C1=O ZINC000577459531 365957486 /nfs/dbraw/zinc/95/74/86/365957486.db2.gz BQEIKYFUDRLZSR-VHSXEESVSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccoc1C(=O)OC ZINC000595944308 348410773 /nfs/dbraw/zinc/41/07/73/348410773.db2.gz RQSFCZWJRHKIFM-QMMMGPOBSA-N 0 3 240.259 0.420 20 0 BCADHN CSCC[C@H](N)C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000595943649 348410805 /nfs/dbraw/zinc/41/08/05/348410805.db2.gz IUPGTQRDZUWWGH-GUBZILKMSA-N 0 3 228.361 0.935 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccoc1C(=O)OC ZINC000595944061 348410911 /nfs/dbraw/zinc/41/09/11/348410911.db2.gz RKGURCAGHWAWIF-ZETCQYMHSA-N 0 3 240.259 0.290 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595947319 348411649 /nfs/dbraw/zinc/41/16/49/348411649.db2.gz ZSOOBHZYPNAILX-KXUCPTDWSA-N 0 3 242.319 0.381 20 0 BCADHN C[C@H](O)CN(CCO)CCOCC1CCC1 ZINC000419283562 192124124 /nfs/dbraw/zinc/12/41/24/192124124.db2.gz SEAPUEBIPCIFFW-NSHDSACASA-N 0 3 231.336 0.478 20 0 BCADHN COC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCN(C)C1=O ZINC000595902340 348394459 /nfs/dbraw/zinc/39/44/59/348394459.db2.gz PVTMNDJAZTZIRA-UTLUCORTSA-N 0 3 240.303 0.148 20 0 BCADHN CC(C)OCCN1C[C@H](C)N(CCO)C[C@H]1C ZINC000419338260 192124921 /nfs/dbraw/zinc/12/49/21/192124921.db2.gz YXALUKOOSDGPCQ-QWHCGFSZSA-N 0 3 244.379 0.798 20 0 BCADHN CC(C)=CCCN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595902651 348395310 /nfs/dbraw/zinc/39/53/10/348395310.db2.gz CPAVXWTYRSRMGJ-RYUDHWBXSA-N 0 3 237.347 0.587 20 0 BCADHN CC(C)OCCN1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000419338259 192125179 /nfs/dbraw/zinc/12/51/79/192125179.db2.gz YXALUKOOSDGPCQ-OLZOCXBDSA-N 0 3 244.379 0.798 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CC2CC1(C)C2 ZINC000595917321 348400639 /nfs/dbraw/zinc/40/06/39/348400639.db2.gz YUAGZNJZTNPDJW-MLMMTNJESA-N 0 3 211.265 0.054 20 0 BCADHN COC(=O)C1(NC(=O)CNC(C)C)CCCC1 ZINC000595924705 348402337 /nfs/dbraw/zinc/40/23/37/348402337.db2.gz LXSBDMHAYKBWIV-UHFFFAOYSA-N 0 3 242.319 0.586 20 0 BCADHN C[C@@H]1[C@H](C)CN(CC(=O)NC(N)=O)[C@H]1C ZINC000419393900 192130231 /nfs/dbraw/zinc/13/02/31/192130231.db2.gz NVCSKXAAAWRJLX-PRJMDXOYSA-N 0 3 213.281 0.158 20 0 BCADHN CCN(C)C(=O)CN(C)CCCCOC ZINC000419387295 192130648 /nfs/dbraw/zinc/13/06/48/192130648.db2.gz QMMUUFPDVTXCNZ-UHFFFAOYSA-N 0 3 216.325 0.823 20 0 BCADHN Cc1cc(CNC(=O)[C@@H]2CCCCN2C)n[nH]1 ZINC000603551839 349991348 /nfs/dbraw/zinc/99/13/48/349991348.db2.gz UCKWOEGHTPQRKR-NSHDSACASA-N 0 3 236.319 0.819 20 0 BCADHN CSC[C@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000596099604 348445525 /nfs/dbraw/zinc/44/55/25/348445525.db2.gz TYSHVMCTHZIBRU-VIFPVBQESA-N 0 3 244.360 0.186 20 0 BCADHN CCCC[C@H](CN)NC(=O)C(=O)NC1CCC1 ZINC000419626831 192142359 /nfs/dbraw/zinc/14/23/59/192142359.db2.gz NKDBFWMIKQMSHX-SNVBAGLBSA-N 0 3 241.335 0.289 20 0 BCADHN CNS(=O)(=O)CCN1CCCC[C@H]1C ZINC000621245748 349998161 /nfs/dbraw/zinc/99/81/61/349998161.db2.gz UVISDJDSWNQGKT-SECBINFHSA-N 0 3 220.338 0.410 20 0 BCADHN CC(C)[C@@H](C)N(C(=O)C(=O)NCCN)C1CC1 ZINC000419810716 192145545 /nfs/dbraw/zinc/14/55/45/192145545.db2.gz BGDRKUOTZRPUPM-SECBINFHSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@H]1CCCC[C@H]1NC(=O)C(=O)N(C)CCN ZINC000419814087 192145697 /nfs/dbraw/zinc/14/56/97/192145697.db2.gz OQDQHGCMLKPECT-VHSXEESVSA-N 0 3 241.335 0.098 20 0 BCADHN Cc1ccc(CNC(=O)C(=O)N[C@H](C)CN)cc1 ZINC000419821487 192146047 /nfs/dbraw/zinc/14/60/47/192146047.db2.gz VVNJUXFWTNVNIO-SNVBAGLBSA-N 0 3 249.314 0.075 20 0 BCADHN Cc1ccc(CN[C@H](CO)[C@@H](C)O)cc1 ZINC000419820070 192146301 /nfs/dbraw/zinc/14/63/01/192146301.db2.gz UHEFICKJVHGSHZ-ZYHUDNBSSA-N 0 3 209.289 0.826 20 0 BCADHN CCC[C@H](O)[C@@H](CO)NCc1ccncc1 ZINC000419830958 192146436 /nfs/dbraw/zinc/14/64/36/192146436.db2.gz UOSJGFCEXYZXDM-NEPJUHHUSA-N 0 3 224.304 0.693 20 0 BCADHN CCC[C@H](O)[C@@H](CO)NCc1cncn1CC ZINC000419825029 192146818 /nfs/dbraw/zinc/14/68/18/192146818.db2.gz PTAJEPDAQDPXFJ-NEPJUHHUSA-N 0 3 241.335 0.515 20 0 BCADHN CN(C)CC[C@](C)(O)CNC(=O)CC1(C)CC1 ZINC000420002816 192152467 /nfs/dbraw/zinc/15/24/67/192152467.db2.gz UHHILXKMNLVABH-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C(=O)NCC1(N(C)C)CCC1)[C@H](C)O ZINC000420008239 192152666 /nfs/dbraw/zinc/15/26/66/192152666.db2.gz BHYUDFIQQJOFQE-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000420012307 192153089 /nfs/dbraw/zinc/15/30/89/192153089.db2.gz IWUYHRYRBNYQQL-IVZWLZJFSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@@H]1CC[C@H](C)N1C(=O)C(=O)N[C@H](C)CN ZINC000420018668 192153246 /nfs/dbraw/zinc/15/32/46/192153246.db2.gz YINCIAPUQAAQNF-KXUCPTDWSA-N 0 3 241.335 0.239 20 0 BCADHN CC[C@H]1CC[C@@H](C)N1C(=O)C(=O)N[C@H](C)CN ZINC000420018667 192153291 /nfs/dbraw/zinc/15/32/91/192153291.db2.gz YINCIAPUQAAQNF-BBBLOLIVSA-N 0 3 241.335 0.239 20 0 BCADHN CC[C@@H](C(=O)N(CCN(C)C)C1CC1)[C@@H](C)O ZINC000419969254 192153296 /nfs/dbraw/zinc/15/32/96/192153296.db2.gz BWLROSYVYYPMRM-ZYHUDNBSSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@]1(C)CCN(C(=O)C(=O)N[C@H](C)CN)C1 ZINC000420020864 192153482 /nfs/dbraw/zinc/15/34/82/192153482.db2.gz GLGNWAMKEDXQSN-BXKDBHETSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H](C)CC1 ZINC000420019609 192153500 /nfs/dbraw/zinc/15/35/00/192153500.db2.gz CDEXGLSVYPFJRU-ZJUUUORDSA-N 0 3 241.335 0.098 20 0 BCADHN CC[C@@H](C)CN(CC)C(=O)C(=O)N[C@@H](C)CN ZINC000420009946 192153523 /nfs/dbraw/zinc/15/35/23/192153523.db2.gz DNWMHMFLWPXSQZ-ZJUUUORDSA-N 0 3 243.351 0.344 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000420018399 192153609 /nfs/dbraw/zinc/15/36/09/192153609.db2.gz YAFFEFYKRQIIOO-AEJSXWLSSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@@H]1C[C@H](C)CN1C(=O)C(=O)N[C@H](C)CN ZINC000420016704 192153900 /nfs/dbraw/zinc/15/39/00/192153900.db2.gz TYSHCJZNGGSKQM-IVZWLZJFSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)C[C@H](CN)NC(=O)C(=O)N(C)C1CC1 ZINC000419981894 192154514 /nfs/dbraw/zinc/15/45/14/192154514.db2.gz UWQIDGAXVXWONT-SECBINFHSA-N 0 3 241.335 0.097 20 0 BCADHN CCCC[C@@H](CN)NC(=O)C(=O)N(CC)CC ZINC000420112327 192162400 /nfs/dbraw/zinc/16/24/00/192162400.db2.gz ATJBAYVUUCVSIK-JTQLQIEISA-N 0 3 243.351 0.489 20 0 BCADHN C[C@H](C[S@](C)=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000597081013 348657928 /nfs/dbraw/zinc/65/79/28/348657928.db2.gz ZIRDPXGHXDRELJ-APKCBFJXSA-N 0 3 231.361 0.911 20 0 BCADHN CCCC[C@H](CN)NC(=O)C(=O)N(CC)CC ZINC000420112328 192162621 /nfs/dbraw/zinc/16/26/21/192162621.db2.gz ATJBAYVUUCVSIK-SNVBAGLBSA-N 0 3 243.351 0.489 20 0 BCADHN CCN(CC1CCC1)C(=O)C(=O)N[C@@H](C)CN ZINC000420024284 192158204 /nfs/dbraw/zinc/15/82/04/192158204.db2.gz XXCXMFXHYOPQBE-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN CN(C)CC[C@@](C)(O)CNC(=O)CCC1CC1 ZINC000420021703 192158247 /nfs/dbraw/zinc/15/82/47/192158247.db2.gz UUNHHQBFWDXQQH-CYBMUJFWSA-N 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HHHRNBMZQOCMQZ-ZJUUUORDSA-N 0 3 228.336 0.604 20 0 BCADHN COC(=O)[C@H]1C[C@H](NCc2cnn3c2CCC3)C1 ZINC000597246193 348689125 /nfs/dbraw/zinc/68/91/25/348689125.db2.gz SEUQSYJRMZWVCC-HOMQSWHASA-N 0 3 249.314 0.871 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421710343 192374133 /nfs/dbraw/zinc/37/41/33/192374133.db2.gz KAUIWXXORXSVJV-SRVKXCTJSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C)c1cccc(CN(CCO)CCO)c1 ZINC000075714211 348750627 /nfs/dbraw/zinc/75/06/27/348750627.db2.gz WBSQOEOMYSLOAQ-UHFFFAOYSA-N 0 3 238.331 0.539 20 0 BCADHN CCCCN(C)CC(=O)NC(=O)NCCC ZINC000048614706 348751123 /nfs/dbraw/zinc/75/11/23/348751123.db2.gz OMGKSXWPNDJTNI-UHFFFAOYSA-N 0 3 229.324 0.954 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CCCN1C ZINC000421700462 192374625 /nfs/dbraw/zinc/37/46/25/192374625.db2.gz FAUOXOHWSPBJQE-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421700464 192374662 /nfs/dbraw/zinc/37/46/62/192374662.db2.gz 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246.376 0.765 20 0 BCADHN CCOC(=O)CN(CC(C)C)C(=O)[C@H](C)NC ZINC000054075158 348877089 /nfs/dbraw/zinc/87/70/89/348877089.db2.gz DHECUKODRSWHEQ-JTQLQIEISA-N 0 3 244.335 0.642 20 0 BCADHN CN[C@@H](C)C(=O)N1CCc2ccc(O)cc2C1 ZINC000054075475 348877978 /nfs/dbraw/zinc/87/79/78/348877978.db2.gz AKCJXFUYFOFBQE-VIFPVBQESA-N 0 3 234.299 0.885 20 0 BCADHN Cc1cnn(C)c1CN[C@H](C)[C@H](C)CO ZINC000286325400 179722300 /nfs/dbraw/zinc/72/23/00/179722300.db2.gz DMTZVWPSTWCXLH-NXEZZACHSA-N 0 3 211.309 0.835 20 0 BCADHN CCCC[C@H](CN)NC(=O)C(=O)N(C)CCC ZINC000420123875 192167926 /nfs/dbraw/zinc/16/79/26/192167926.db2.gz NZVRPYKSZVPDIP-SNVBAGLBSA-N 0 3 243.351 0.489 20 0 BCADHN NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000308867625 348979565 /nfs/dbraw/zinc/97/95/65/348979565.db2.gz GXAHJKKMPSARIU-FXBDTBDDSA-N 0 3 210.277 0.019 20 0 BCADHN C[C@H](C[S@](C)=O)NC[C@@](C)(O)C(F)(F)F ZINC000308865146 348979782 /nfs/dbraw/zinc/97/97/82/348979782.db2.gz WOSRECMTVCFKQD-YRRYFFEDSA-N 0 3 247.282 0.656 20 0 BCADHN Cn1ccc(CNC[C@H](CO)C2CC2)n1 ZINC000308868335 348980534 /nfs/dbraw/zinc/98/05/34/348980534.db2.gz HNEZAXAPSBDNFB-SNVBAGLBSA-N 0 3 209.293 0.528 20 0 BCADHN NC1(C(=O)N[C@@H]2CCCOCC2)CCC1 ZINC000308872002 348980646 /nfs/dbraw/zinc/98/06/46/348980646.db2.gz ZJJMMDCKQKYJQX-SECBINFHSA-N 0 3 212.293 0.553 20 0 BCADHN CCOC(=O)CC(=O)N1C[C@@H](C)N[C@@H](CC)C1 ZINC000598535365 348990806 /nfs/dbraw/zinc/99/08/06/348990806.db2.gz CQPRIVPFKZOJJL-ZJUUUORDSA-N 0 3 242.319 0.539 20 0 BCADHN CCCS(=O)(=O)N(CCNC)C(C)C ZINC000669379157 538019607 /nfs/dbraw/zinc/01/96/07/538019607.db2.gz VCMYPRLEQGRGEZ-UHFFFAOYSA-N 0 3 222.354 0.656 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000567825447 349041545 /nfs/dbraw/zinc/04/15/45/349041545.db2.gz NSFTZDKQHAOBIV-VWYCJHECSA-N 0 3 226.320 0.798 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000567825446 349041736 /nfs/dbraw/zinc/04/17/36/349041736.db2.gz NSFTZDKQHAOBIV-OUAUKWLOSA-N 0 3 226.320 0.798 20 0 BCADHN CC(C)[C@@H](O)CNC[C@](C)(O)C(F)(F)F ZINC000308896055 349055822 /nfs/dbraw/zinc/05/58/22/349055822.db2.gz IXJQRJWSPKCVNY-YUMQZZPRSA-N 0 3 229.242 0.906 20 0 BCADHN CC[S@](=O)CC(=O)N[C@@H]1CCC[C@H]1N(C)C ZINC000598700348 349033321 /nfs/dbraw/zinc/03/33/21/349033321.db2.gz YFAZXDURUHKYQU-LYGAQUJYSA-N 0 3 246.376 0.354 20 0 BCADHN CC[S@](=O)CC(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000598737303 349035215 /nfs/dbraw/zinc/03/52/15/349035215.db2.gz VKROJQQZUJAJEK-IEVXNVSRSA-N 0 3 246.376 0.306 20 0 BCADHN CC[S@@](=O)CC(=O)NC(C)(C)CN(C)C ZINC000598741100 349036015 /nfs/dbraw/zinc/03/60/15/349036015.db2.gz YWWJVMPIQXPZKU-OAHLLOKOSA-N 0 3 234.365 0.211 20 0 BCADHN c1ncc(CNCCN2CCOCC2)s1 ZINC000054770047 349079666 /nfs/dbraw/zinc/07/96/66/349079666.db2.gz IARCGSHHBILPNQ-UHFFFAOYSA-N 0 3 227.333 0.565 20 0 BCADHN CSC[C@H]1CCCN1c1nc(N)nc(N)n1 ZINC000599059131 349085622 /nfs/dbraw/zinc/08/56/22/349085622.db2.gz YIANMLVYVCCHLM-ZCFIWIBFSA-N 0 3 240.336 0.029 20 0 BCADHN COCCN(C)CCNC(=O)[C@]12C[C@H]1CCC2 ZINC000421765652 192381277 /nfs/dbraw/zinc/38/12/77/192381277.db2.gz ZNJAXNPKOVRJIM-DGCLKSJQSA-N 0 3 240.347 0.871 20 0 BCADHN C[C@H]1CCN(CC(=O)NC(N)=O)C[C@@H](C)C1 ZINC000246760114 349106373 /nfs/dbraw/zinc/10/63/73/349106373.db2.gz QSSIJYHVQQJMSL-IUCAKERBSA-N 0 3 227.308 0.549 20 0 BCADHN COC(=O)CCCCN1CCNC(=O)C[C@H]1C ZINC000599337566 349150740 /nfs/dbraw/zinc/15/07/40/349150740.db2.gz CCPOQYTYBHECAI-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN COCCCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000421812249 192387675 /nfs/dbraw/zinc/38/76/75/192387675.db2.gz KQAIUKRGZHOOHJ-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN CC(C)OCC[C@@H](O)CN1CCCOCC1 ZINC000349899928 538026992 /nfs/dbraw/zinc/02/69/92/538026992.db2.gz XCEHXSIKAYDDQP-GFCCVEGCSA-N 0 3 231.336 0.885 20 0 BCADHN COC(=O)CCCCN(CC(N)=O)CC(C)C ZINC000599267902 349136356 /nfs/dbraw/zinc/13/63/56/349136356.db2.gz SSOQXPRPUSSLSJ-UHFFFAOYSA-N 0 3 244.335 0.773 20 0 BCADHN COC(=O)CCCCN1CC[C@H](NC(N)=O)C1 ZINC000599338857 349151898 /nfs/dbraw/zinc/15/18/98/349151898.db2.gz HWAGHFDKGJIPFN-VIFPVBQESA-N 0 3 243.307 0.072 20 0 BCADHN COC(=O)CCCCN(C)[C@H]1CCN(C)C1=O ZINC000599298687 349140519 /nfs/dbraw/zinc/14/05/19/349140519.db2.gz XEJWUDOOBOLPJJ-JTQLQIEISA-N 0 3 242.319 0.492 20 0 BCADHN COC(=O)CCCCN1CC[C@H](NC(C)=O)C1 ZINC000599440753 349178742 /nfs/dbraw/zinc/17/87/42/349178742.db2.gz PKNHCDBBZDVPGH-NSHDSACASA-N 0 3 242.319 0.540 20 0 BCADHN CC[C@@H](C)N1CCN(CCC(=O)OC)CC1 ZINC000055067738 349182505 /nfs/dbraw/zinc/18/25/05/349182505.db2.gz COFRHEWNUZXQHA-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCC[C@@H]1[C@@H](C)O ZINC000599466449 349191944 /nfs/dbraw/zinc/19/19/44/349191944.db2.gz AUTTWTLPIPHAOK-OUAUKWLOSA-N 0 3 245.319 0.146 20 0 BCADHN CCOC(=O)C[C@H](O)CN(CC)[C@H](C)CO ZINC000599430103 349187371 /nfs/dbraw/zinc/18/73/71/349187371.db2.gz WGHOPNYOGHGEEB-ZJUUUORDSA-N 0 3 233.308 0.003 20 0 BCADHN C[C@@H](C(=O)N1CCN(C)C[C@H]1CN)C1CC1 ZINC000251616278 349189200 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/nfs/dbraw/zinc/21/64/14/349216414.db2.gz OIYFAPNCTROQMY-KPCOEVGBSA-N 0 3 234.365 0.387 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(CC2(C)COC2)C1 ZINC000599558527 349216951 /nfs/dbraw/zinc/21/69/51/349216951.db2.gz KNLJQTPKWJQFSY-GFCCVEGCSA-N 0 3 243.303 0.287 20 0 BCADHN COC(=O)[C@]1(OC)CCN(CCC(C)(C)O)C1 ZINC000599558278 349217234 /nfs/dbraw/zinc/21/72/34/349217234.db2.gz HBGJGZHXGRGPJB-LBPRGKRZSA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)[C@@]1(OC)CCN([C@@H]2CCCOC2)C1 ZINC000599565308 349219564 /nfs/dbraw/zinc/21/95/64/349219564.db2.gz PWIBCUQXRQCHRA-ZYHUDNBSSA-N 0 3 243.303 0.429 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(C[C@H]2CCCO2)C1 ZINC000599566648 349219843 /nfs/dbraw/zinc/21/98/43/349219843.db2.gz GWZUVBPWHKYYCE-ZYHUDNBSSA-N 0 3 243.303 0.429 20 0 BCADHN COC(=O)[C@]1(OC)CCN(CCCCO)C1 ZINC000599564704 349220164 /nfs/dbraw/zinc/22/01/64/349220164.db2.gz VBDDOWNAJNOVSS-NSHDSACASA-N 0 3 231.292 0.023 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(CCOC(C)C)C1 ZINC000599564842 349220243 /nfs/dbraw/zinc/22/02/43/349220243.db2.gz NLPWIDZUNAPDJJ-GFCCVEGCSA-N 0 3 245.319 0.675 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCC2(COC2)C1 ZINC000599475244 349195453 /nfs/dbraw/zinc/19/54/53/349195453.db2.gz JYAAFZXGJYRRRA-JTQLQIEISA-N 0 3 243.303 0.023 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)[C@@H](C)CCO ZINC000599453328 349198948 /nfs/dbraw/zinc/19/89/48/349198948.db2.gz PSTBMTXMXURRBM-UWVGGRQHSA-N 0 3 233.308 0.003 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)[C@H](C)CCO ZINC000599453327 349199022 /nfs/dbraw/zinc/19/90/22/349199022.db2.gz PSTBMTXMXURRBM-NXEZZACHSA-N 0 3 233.308 0.003 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)CO1 ZINC000402064092 349288866 /nfs/dbraw/zinc/28/88/66/349288866.db2.gz GKEQPDCRERSAIO-DJLDLDEBSA-N 0 3 214.309 0.653 20 0 BCADHN C/C=C/C[C@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC000599692397 349246955 /nfs/dbraw/zinc/24/69/55/349246955.db2.gz WBTGQATZMULPCR-PBKGFPTLSA-N 0 3 239.319 0.860 20 0 BCADHN COC(=O)CCN1CCCC[C@H]1CNC(C)=O ZINC000599704867 349249622 /nfs/dbraw/zinc/24/96/22/349249622.db2.gz WDYOGWWEERHGRX-NSHDSACASA-N 0 3 242.319 0.540 20 0 BCADHN CC(C)NCC(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000380552932 349258256 /nfs/dbraw/zinc/25/82/56/349258256.db2.gz FPVQWWGLPHUDCY-UWVGGRQHSA-N 0 3 214.309 0.620 20 0 BCADHN COC[C@@](C)(O)CNCc1cnc2ccccn12 ZINC000601772158 349338494 /nfs/dbraw/zinc/33/84/94/349338494.db2.gz CPTRPXPMCPZWPO-ZDUSSCGKSA-N 0 3 249.314 0.821 20 0 BCADHN CNC(=O)CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000082945370 349344785 /nfs/dbraw/zinc/34/47/85/349344785.db2.gz OHWKBIJYVZJPLP-GDPRMGEGSA-N 0 3 226.320 0.526 20 0 BCADHN CC[C@@H](O)CNC(=O)[C@@H](CC)N(C)C ZINC000422125752 192418399 /nfs/dbraw/zinc/41/83/99/192418399.db2.gz YWPSSGHQWJEFGI-RKDXNWHRSA-N 0 3 202.298 0.214 20 0 BCADHN CCN(CCCO)[C@H](C)C(=O)NCC(C)C ZINC000160727027 349314105 /nfs/dbraw/zinc/31/41/05/349314105.db2.gz XUUZCHIOXFCVHJ-LLVKDONJSA-N 0 3 230.352 0.851 20 0 BCADHN COCCNCCNC(=O)C1CCC1 ZINC000212788957 349375142 /nfs/dbraw/zinc/37/51/42/349375142.db2.gz KYRITWDFKWJIBM-UHFFFAOYSA-N 0 3 200.282 0.139 20 0 BCADHN Cc1cnc(C(=O)N2C[C@H](C)NC[C@@H]2C)o1 ZINC000623059067 349382308 /nfs/dbraw/zinc/38/23/08/349382308.db2.gz PQIIBCHRLMUZFF-YUMQZZPRSA-N 0 3 223.276 0.805 20 0 BCADHN C[C@@H](CO)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000091227469 191003277 /nfs/dbraw/zinc/00/32/77/191003277.db2.gz OAKYIACTSKDGEN-LPEHRKFASA-N 0 3 241.335 0.292 20 0 BCADHN NC[C@H]1CCCN1C(=O)C(=O)c1ccc[nH]1 ZINC000623061864 349425342 /nfs/dbraw/zinc/42/53/42/349425342.db2.gz HPUHPPJEDXEALO-MRVPVSSYSA-N 0 3 221.260 0.147 20 0 BCADHN CNCC(=O)N1CCCC[C@H]1C(F)F ZINC000638703432 352541837 /nfs/dbraw/zinc/54/18/37/352541837.db2.gz HHXNKYUTDOILFB-ZETCQYMHSA-N 0 3 206.236 0.852 20 0 BCADHN CN(C[C@H]1CCCN1C)c1cc(C#N)cnn1 ZINC000396975423 350017180 /nfs/dbraw/zinc/01/71/80/350017180.db2.gz FLQXJQVRIIBGAP-LLVKDONJSA-N 0 3 231.303 0.879 20 0 BCADHN NCC(=O)N1CCc2ccccc2CC1 ZINC000070620783 350031137 /nfs/dbraw/zinc/03/11/37/350031137.db2.gz FVFCJPAMPLZMJD-UHFFFAOYSA-N 0 3 204.273 0.573 20 0 BCADHN CC[C@@H](COC)NC(=O)CNC1CC1 ZINC000070626246 350037699 /nfs/dbraw/zinc/03/76/99/350037699.db2.gz PNESJOZDLMEKQD-QMMMGPOBSA-N 0 3 200.282 0.280 20 0 BCADHN CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000603816262 350038338 /nfs/dbraw/zinc/03/83/38/350038338.db2.gz PGFGDQDGMAYGSO-AWEZNQCLSA-N 0 3 248.326 0.760 20 0 BCADHN C[C@H]1CN(Cc2ccnc(N)c2)CC[C@@H]1O ZINC000127197292 191008040 /nfs/dbraw/zinc/00/80/40/191008040.db2.gz WPSHTXNRXQERES-ONGXEEELSA-N 0 3 221.304 0.867 20 0 BCADHN CC[C@H]1CCCN(CCN2C(=O)CNC2=O)C1 ZINC000127122111 191008105 /nfs/dbraw/zinc/00/81/05/191008105.db2.gz QKQIGNMFOQBMLY-JTQLQIEISA-N 0 3 239.319 0.660 20 0 BCADHN CN[C@@H](C)C(=O)NCc1scnc1C ZINC000070837759 350068128 /nfs/dbraw/zinc/06/81/28/350068128.db2.gz FTBOBDXWYWXRNB-ZETCQYMHSA-N 0 3 213.306 0.676 20 0 BCADHN Cn1ccc(C(=O)NCCN2CCCC2)n1 ZINC000604019033 350069481 /nfs/dbraw/zinc/06/94/81/350069481.db2.gz ZBLTTWLNIYRTAH-UHFFFAOYSA-N 0 3 222.292 0.246 20 0 BCADHN Cc1nnc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[n-]1 ZINC000278689036 180010575 /nfs/dbraw/zinc/01/05/75/180010575.db2.gz OLWYRYFSTXIEPH-VIFPVBQESA-N 0 3 235.291 0.678 20 0 BCADHN Cc1nnc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)[n-]1 ZINC000278689036 180010578 /nfs/dbraw/zinc/01/05/78/180010578.db2.gz OLWYRYFSTXIEPH-VIFPVBQESA-N 0 3 235.291 0.678 20 0 BCADHN Cc1nc(NC(=O)[C@H]2C[C@@H](O)CN2)sc1C ZINC000042573227 180012579 /nfs/dbraw/zinc/01/25/79/180012579.db2.gz UZNRKOCSIFSXEB-HTQZYQBOSA-N 0 3 241.316 0.421 20 0 BCADHN Cc1[nH]c(=O)ccc1C(=O)NC1CCN(C)CC1 ZINC000155872732 180027266 /nfs/dbraw/zinc/02/72/66/180027266.db2.gz CWCNNQNNMYIZDG-UHFFFAOYSA-N 0 3 249.314 0.920 20 0 BCADHN C[C@H](NC[C@@]1(O)CCOC1)c1ccnn1C ZINC000219290531 350120357 /nfs/dbraw/zinc/12/03/57/350120357.db2.gz NBQRYZNIVSORKZ-ONGXEEELSA-N 0 3 225.292 0.222 20 0 BCADHN CCN1CCC(NC(=O)[C@@H](C)OC)CC1 ZINC000055751656 350121120 /nfs/dbraw/zinc/12/11/20/350121120.db2.gz ONWWWROFGDIVNM-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](O)CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132063470 191023735 /nfs/dbraw/zinc/02/37/35/191023735.db2.gz MNAHAOVIPGVAON-BBBLOLIVSA-N 0 3 235.349 0.313 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000402300659 350133815 /nfs/dbraw/zinc/13/38/15/350133815.db2.gz JMYMHMHVQKIQPE-YIZRAAEISA-N 0 3 200.282 0.263 20 0 BCADHN C[C@@H](CO)N[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132224610 191027091 /nfs/dbraw/zinc/02/70/91/191027091.db2.gz OCLNGYNQVLVZST-GUBZILKMSA-N 0 3 235.349 0.313 20 0 BCADHN CCC[C@H](O)CN[C@@H]1CCN[C@@H]1C(=O)OCC ZINC000422719914 192442050 /nfs/dbraw/zinc/44/20/50/192442050.db2.gz YVZLUOXQJKVLJG-AXFHLTTASA-N 0 3 244.335 0.031 20 0 BCADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC1CC(C)(C)C1 ZINC000668505660 490340493 /nfs/dbraw/zinc/34/04/93/490340493.db2.gz CDHVGBIYZBAVDT-UWVGGRQHSA-N 0 3 247.360 0.577 20 0 BCADHN CCCCN(C)CCNC(=O)c1ccncn1 ZINC000426825611 191047649 /nfs/dbraw/zinc/04/76/49/191047649.db2.gz BKOLADHDSJPQEY-UHFFFAOYSA-N 0 3 236.319 0.938 20 0 BCADHN CC[C@](C)(NCCn1cccn1)C(N)=O ZINC000133131690 191038144 /nfs/dbraw/zinc/03/81/44/191038144.db2.gz VAUABLQJIUUUNK-JTQLQIEISA-N 0 3 210.281 0.127 20 0 BCADHN CCOC(=O)CCCN[C@](C)(CC)C(N)=O ZINC000133227588 191039259 /nfs/dbraw/zinc/03/92/59/191039259.db2.gz HELDHCMPBWFCJD-LLVKDONJSA-N 0 3 230.308 0.573 20 0 BCADHN CC[C@](C)(NCCOCC1CC1)C(N)=O ZINC000133258562 191039372 /nfs/dbraw/zinc/03/93/72/191039372.db2.gz JHJBFSCXROESMO-NSHDSACASA-N 0 3 214.309 0.657 20 0 BCADHN C[C@@H]1CN(CC[C@H]2CCNC2=O)C[C@H](C)O1 ZINC000313879184 350166148 /nfs/dbraw/zinc/16/61/48/350166148.db2.gz GKYVRKKJAVMYRD-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN CCCN(C)CC(=O)NCCSCCCO ZINC000427003516 191050629 /nfs/dbraw/zinc/05/06/29/191050629.db2.gz XQLHPWBBOVRQCF-UHFFFAOYSA-N 0 3 248.392 0.560 20 0 BCADHN OCC1(CO)CCN(Cc2ccccc2)C1 ZINC000034468371 350171502 /nfs/dbraw/zinc/17/15/02/350171502.db2.gz LEGSICINTMCWGG-UHFFFAOYSA-N 0 3 221.300 0.863 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@H](C)[C@@H](O)C1)N(C)C ZINC000357876472 191054050 /nfs/dbraw/zinc/05/40/50/191054050.db2.gz DCSBAZAHQXXEPP-SDDRHHMPSA-N 0 3 242.363 0.802 20 0 BCADHN CC(C)[C@H](C(=O)NCC(F)(F)CN)N(C)C ZINC000427136547 191054170 /nfs/dbraw/zinc/05/41/70/191054170.db2.gz KVSPJSHUWSOYRW-MRVPVSSYSA-N 0 3 237.294 0.283 20 0 BCADHN Cc1ncc(CN(C)C(=O)[C@H](C)N)s1 ZINC000037816161 180136553 /nfs/dbraw/zinc/13/65/53/180136553.db2.gz GEDXPPXLWFXWKH-LURJTMIESA-N 0 3 213.306 0.757 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCC(F)(F)CN ZINC000427167183 191055228 /nfs/dbraw/zinc/05/52/28/191055228.db2.gz MBFDUBCIORFPKI-RKDXNWHRSA-N 0 3 249.305 0.569 20 0 BCADHN CC(C)(O)C(C)(C)NCC(=O)NCC1CC1 ZINC000223244603 191058736 /nfs/dbraw/zinc/05/87/36/191058736.db2.gz BKDJFIUHABQWRV-UHFFFAOYSA-N 0 3 228.336 0.652 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)CN(C)C ZINC000111635744 350181534 /nfs/dbraw/zinc/18/15/34/350181534.db2.gz AGYVBOPVYZSWQO-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN CCCN(C)CC(=O)N[C@](C)(CO)C(C)C ZINC000427366943 191060349 /nfs/dbraw/zinc/06/03/49/191060349.db2.gz PVMQDOVNXHFGPF-GFCCVEGCSA-N 0 3 230.352 0.851 20 0 BCADHN Cc1ncc(C(=O)N(C)[C@H]2CN3CCC2CC3)[nH]1 ZINC000328788196 180124488 /nfs/dbraw/zinc/12/44/88/180124488.db2.gz PHGVZLCXRZEJKR-LBPRGKRZSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1ncc(CN[C@@H](C)CC(N)=O)cn1 ZINC000336762229 180154691 /nfs/dbraw/zinc/15/46/91/180154691.db2.gz NZUXDCOBJRLNFC-ZETCQYMHSA-N 0 3 208.265 0.139 20 0 BCADHN Cc1ncc(CN[C@H](C)CC(N)=O)cn1 ZINC000336762228 180156175 /nfs/dbraw/zinc/15/61/75/180156175.db2.gz NZUXDCOBJRLNFC-SSDOTTSWSA-N 0 3 208.265 0.139 20 0 BCADHN Cc1cc(CNC[C@@H]2COCCN2C)ccn1 ZINC000623714353 350193567 /nfs/dbraw/zinc/19/35/67/350193567.db2.gz ZZVWWJGODNYSJB-CYBMUJFWSA-N 0 3 235.331 0.810 20 0 BCADHN Cc1ncc(CN[C@H](C)Cn2cncn2)cn1 ZINC000340460963 180157885 /nfs/dbraw/zinc/15/78/85/180157885.db2.gz CWIHWIWJNYZSPD-SECBINFHSA-N 0 3 232.291 0.555 20 0 BCADHN Cc1ncc(CN[C@H](C)[C@@H](C)CO)cn1 ZINC000336770731 180158836 /nfs/dbraw/zinc/15/88/36/180158836.db2.gz WXAXIFMXDKACIN-DTWKUNHWSA-N 0 3 209.293 0.892 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000151890970 191067125 /nfs/dbraw/zinc/06/71/25/191067125.db2.gz OTJBQORYOIXMHC-NXEZZACHSA-N 0 3 228.336 0.997 20 0 BCADHN Cc1ncc(NC(=O)N(C)CCN(C)C)cn1 ZINC000267429905 180165862 /nfs/dbraw/zinc/16/58/62/180165862.db2.gz GKYNQXKTWMRDKG-UHFFFAOYSA-N 0 3 237.307 0.810 20 0 BCADHN Cc1ncc(NC(=O)[C@@H](C)NC2CC2)cn1 ZINC000296771628 180168722 /nfs/dbraw/zinc/16/87/22/180168722.db2.gz LMCGWLMCVZHSQG-SSDOTTSWSA-N 0 3 220.276 0.864 20 0 BCADHN CCOC[C@H](O)CN1CC[C@@H](C)[C@@H](OC)C1 ZINC000221129520 350198086 /nfs/dbraw/zinc/19/80/86/350198086.db2.gz GOFQTXWTEBLVEH-UTUOFQBUSA-N 0 3 231.336 0.741 20 0 BCADHN CN(c1nc(N)nc(N)n1)[C@@H]1CCC(C)(C)C1 ZINC000624177986 350199573 /nfs/dbraw/zinc/19/95/73/350199573.db2.gz LNOXSVMTLVRIPR-SSDOTTSWSA-N 0 3 236.323 0.712 20 0 BCADHN Cc1ncc(CNC[C@@]2(O)CCOC2)s1 ZINC000126183830 180152024 /nfs/dbraw/zinc/15/20/24/180152024.db2.gz KQGLPIXDPBLCHE-JTQLQIEISA-N 0 3 228.317 0.693 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1C[C@@H](C)O[C@@H]1C ZINC000637147742 350220187 /nfs/dbraw/zinc/22/01/87/350220187.db2.gz YTSXYLNEKSVMKU-ZDCRXTMVSA-N 0 3 243.351 0.802 20 0 BCADHN CNS(=O)(=O)CCN1CCC[C@@H](C)[C@H]1C ZINC000621259151 350208838 /nfs/dbraw/zinc/20/88/38/350208838.db2.gz MMXGNJWCBSXEOQ-NXEZZACHSA-N 0 3 234.365 0.656 20 0 BCADHN CNS(=O)(=O)CCN1CCC[C@H](C)[C@@H]1C ZINC000621259152 350208988 /nfs/dbraw/zinc/20/89/88/350208988.db2.gz MMXGNJWCBSXEOQ-UWVGGRQHSA-N 0 3 234.365 0.656 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@@H](COC)C1 ZINC000352222362 535115766 /nfs/dbraw/zinc/11/57/66/535115766.db2.gz MZLKFASJEBEVEH-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@@H](C)[C@@H](O)C1 ZINC000221448890 350211073 /nfs/dbraw/zinc/21/10/73/350211073.db2.gz RGAMBMUZUHVACK-BBBLOLIVSA-N 0 3 214.309 0.166 20 0 BCADHN Cc1nccc(CN2C[C@H](C)[C@@H](CO)C2)n1 ZINC000353210047 180185357 /nfs/dbraw/zinc/18/53/57/180185357.db2.gz OSPKBTUDNAPQIS-GXSJLCMTSA-N 0 3 221.304 0.845 20 0 BCADHN COCCN(C)C[C@H](O)Cn1ccnc1C ZINC000309241196 350214489 /nfs/dbraw/zinc/21/44/89/350214489.db2.gz KULPNJVNAVGOFU-NSHDSACASA-N 0 3 227.308 0.131 20 0 BCADHN Cc1nccc(CNC(=O)[C@@H](N)C(C)(C)C)n1 ZINC000040469016 180188141 /nfs/dbraw/zinc/18/81/41/180188141.db2.gz OCCAJGDBWMOAGD-SNVBAGLBSA-N 0 3 236.319 0.775 20 0 BCADHN CN[C@@H](C)C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000222000789 350227924 /nfs/dbraw/zinc/22/79/24/350227924.db2.gz UPRYNAWHBWBVBK-XHNCKOQMSA-N 0 3 216.350 0.947 20 0 BCADHN CCOC(C)(C)C(=O)NC[C@](C)(O)CN(C)C ZINC000384169289 350236448 /nfs/dbraw/zinc/23/64/48/350236448.db2.gz XNYVZQRNMGYTAM-LBPRGKRZSA-N 0 3 246.351 0.230 20 0 BCADHN CCOC(C)(C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000384169288 350236581 /nfs/dbraw/zinc/23/65/81/350236581.db2.gz XNYVZQRNMGYTAM-GFCCVEGCSA-N 0 3 246.351 0.230 20 0 BCADHN CC[C@H](C(=O)N[C@H](CCOC)COC)N(C)C ZINC000427608401 191083934 /nfs/dbraw/zinc/08/39/34/191083934.db2.gz YKMDCONHWSGJOP-GHMZBOCLSA-N 0 3 246.351 0.494 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CCOC)COC)N(C)C ZINC000427608404 191084218 /nfs/dbraw/zinc/08/42/18/191084218.db2.gz YKMDCONHWSGJOP-WDEREUQCSA-N 0 3 246.351 0.494 20 0 BCADHN Cc1nccn1CCN(C)[C@]1(CO)CCOC1 ZINC000329757222 180252621 /nfs/dbraw/zinc/25/26/21/180252621.db2.gz ZHBYNYSZHVXIQS-LBPRGKRZSA-N 0 3 239.319 0.275 20 0 BCADHN Cc1nccn1CCN1C[C@@H](O)C(C)(C)C1 ZINC000279701580 180253513 /nfs/dbraw/zinc/25/35/13/180253513.db2.gz HBMRXSXMFQIILX-LLVKDONJSA-N 0 3 223.320 0.894 20 0 BCADHN CS[C@H]1CN(C(=O)C(C)(C)O)C[C@H]1N(C)C ZINC000427704583 191089337 /nfs/dbraw/zinc/08/93/37/191089337.db2.gz KHJVFCMQJHXAIS-BDAKNGLRSA-N 0 3 246.376 0.261 20 0 BCADHN CCN1CCC(CNS(=O)(=O)N(C)C)CC1 ZINC000309267068 350247252 /nfs/dbraw/zinc/24/72/52/350247252.db2.gz CJYHVIOMTHFWQZ-UHFFFAOYSA-N 0 3 249.380 0.114 20 0 BCADHN Cc1nccn1CCN1CCN(C2CC2)CC1 ZINC000336715203 180256284 /nfs/dbraw/zinc/25/62/84/180256284.db2.gz UKGUJMQZUFTATO-UHFFFAOYSA-N 0 3 234.347 0.972 20 0 BCADHN COCCCC(=O)NC[C@@H](C)N(C)C ZINC000049678666 350250686 /nfs/dbraw/zinc/25/06/86/350250686.db2.gz FHEULUZHMDDLPJ-SECBINFHSA-N 0 3 202.298 0.479 20 0 BCADHN Cc1nccn1CCNC(=O)NCCN(C)C ZINC000270688177 180258285 /nfs/dbraw/zinc/25/82/85/180258285.db2.gz WQWBUESILXDDGL-UHFFFAOYSA-N 0 3 239.323 0.052 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)C(C)(C)O ZINC000427694413 191087982 /nfs/dbraw/zinc/08/79/82/191087982.db2.gz JHYUZQZCHGZBOW-UHFFFAOYSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC(F)F)CO1 ZINC000402394801 350254517 /nfs/dbraw/zinc/25/45/17/350254517.db2.gz XLJBPLPTFBWBRV-QYNIQEEDSA-N 0 3 222.235 0.263 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1CN(C)C ZINC000427717799 191090280 /nfs/dbraw/zinc/09/02/80/191090280.db2.gz IYRXHSQLWFWRSA-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)COCC1CC1 ZINC000427731204 191090472 /nfs/dbraw/zinc/09/04/72/191090472.db2.gz MDYHIAARRYZORM-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1nccn1CCNCN1CCC(=O)CC1 ZINC000275701571 180260772 /nfs/dbraw/zinc/26/07/72/180260772.db2.gz JRHRETHFXJSCQQ-UHFFFAOYSA-N 0 3 236.319 0.404 20 0 BCADHN CCO[C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC000617955424 350265709 /nfs/dbraw/zinc/26/57/09/350265709.db2.gz WHVWLTIWNGHJGX-MGCOHNPYSA-N 0 3 237.303 0.944 20 0 BCADHN CCN(CCCCOC)CC(=O)N(C)C ZINC000605186757 350266825 /nfs/dbraw/zinc/26/68/25/350266825.db2.gz MTECGRXFJROLEE-UHFFFAOYSA-N 0 3 216.325 0.823 20 0 BCADHN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@@H](C)N ZINC000178847734 180264105 /nfs/dbraw/zinc/26/41/05/180264105.db2.gz QZEZVSGYRJFCLL-KOLCDFICSA-N 0 3 236.319 0.530 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1ccc(N)nc1 ZINC000309293030 350269382 /nfs/dbraw/zinc/26/93/82/350269382.db2.gz QTANGCXIBWKXAV-SECBINFHSA-N 0 3 208.265 0.586 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CN(C)C ZINC000427717800 191089804 /nfs/dbraw/zinc/08/98/04/191089804.db2.gz IYRXHSQLWFWRSA-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN COC[C@H](O)CNCc1ccc(OC)nc1 ZINC000068892049 350298425 /nfs/dbraw/zinc/29/84/25/350298425.db2.gz WVZSEPBVECPIRR-SNVBAGLBSA-N 0 3 226.276 0.187 20 0 BCADHN COC[C@H](O)CN1CCN(CC2CC2)CC1 ZINC000068891127 350299032 /nfs/dbraw/zinc/29/90/32/350299032.db2.gz PGOYXZCSWKTBNU-GFCCVEGCSA-N 0 3 228.336 0.021 20 0 BCADHN Cc1ncncc1C(=O)NCC1=CCN(C)CC1 ZINC000271879374 180292636 /nfs/dbraw/zinc/29/26/36/180292636.db2.gz MUQOGZUQQMWFFC-UHFFFAOYSA-N 0 3 246.314 0.777 20 0 BCADHN O=S1(=O)CCC[C@H](NCCn2cccn2)C1 ZINC000068940156 350313851 /nfs/dbraw/zinc/31/38/51/350313851.db2.gz RFIYGVHXLGBSKL-JTQLQIEISA-N 0 3 243.332 0.050 20 0 BCADHN CN1CCN(C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000618561406 350319558 /nfs/dbraw/zinc/31/95/58/350319558.db2.gz YKCVAQYJBOOIGV-NSHDSACASA-N 0 3 240.351 0.038 20 0 BCADHN CN1CCC[C@@H](NC(=O)NCC(F)F)C1 ZINC000073811989 490441543 /nfs/dbraw/zinc/44/15/43/490441543.db2.gz NYAUEDOWEWLLNG-SSDOTTSWSA-N 0 3 221.251 0.645 20 0 BCADHN COC(=O)CCCN(C)C(=O)[C@H](N)CC(C)C ZINC000037813209 350289704 /nfs/dbraw/zinc/28/97/04/350289704.db2.gz WKVPMXYYDFCQFK-SNVBAGLBSA-N 0 3 244.335 0.771 20 0 BCADHN CCO[C@@H]1C[C@@H](NCC(=O)NC)C12CCC2 ZINC000083684743 350294844 /nfs/dbraw/zinc/29/48/44/350294844.db2.gz DPMPITIFLTVILW-NXEZZACHSA-N 0 3 226.320 0.670 20 0 BCADHN CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000050460532 350342898 /nfs/dbraw/zinc/34/28/98/350342898.db2.gz GBVDMSAJEYECGU-ZJUUUORDSA-N 0 3 233.271 0.332 20 0 BCADHN Cc1ncoc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000162374209 180298611 /nfs/dbraw/zinc/29/86/11/180298611.db2.gz AYHBOQKERWNUPO-YUMQZZPRSA-N 0 3 223.276 0.805 20 0 BCADHN C[C@H]1C[C@H](N(C)C(=O)C(C)(C)O)CCN1C ZINC000427858953 191095704 /nfs/dbraw/zinc/09/57/04/191095704.db2.gz UZPHWNWBTUQHEU-VHSXEESVSA-N 0 3 228.336 0.698 20 0 BCADHN C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)O)CCN1C ZINC000427858954 191096059 /nfs/dbraw/zinc/09/60/59/191096059.db2.gz UZPHWNWBTUQHEU-ZJUUUORDSA-N 0 3 228.336 0.698 20 0 BCADHN Cc1ncsc1CCN1C[C@@H](O)C[C@H]1CO ZINC000186526221 180309383 /nfs/dbraw/zinc/30/93/83/180309383.db2.gz LTWXXEPFJBWWON-UWVGGRQHSA-N 0 3 242.344 0.422 20 0 BCADHN Cc1nn(C)c(C)c1CCNC(=O)C1(N)CC1 ZINC000353501866 180335619 /nfs/dbraw/zinc/33/56/19/180335619.db2.gz ODPUGWATEUEIBU-UHFFFAOYSA-N 0 3 236.319 0.187 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H]1CCCN(C)C1 ZINC000040673702 350393452 /nfs/dbraw/zinc/39/34/52/350393452.db2.gz MBMQXMKFMLPORV-ZJUUUORDSA-N 0 3 245.392 0.277 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@H](C)C[S@@](C)=O ZINC000164302972 180341535 /nfs/dbraw/zinc/34/15/35/180341535.db2.gz BEMOFTGPIZROBF-BCTVWOGZSA-N 0 3 243.376 0.894 20 0 BCADHN CCCC[C@H](N)C(=O)NCCNC(=O)C1CC1 ZINC000158513259 490539538 /nfs/dbraw/zinc/53/95/38/490539538.db2.gz RGAFSVHYPZVDTL-JTQLQIEISA-N 0 3 241.335 0.146 20 0 BCADHN CC[C@@H](O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000336683340 350439151 /nfs/dbraw/zinc/43/91/51/350439151.db2.gz DPNQCMVRKWEIMO-CHWSQXEVSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@H](O)[C@H]1CCN(CC(=O)N2CCCCC2)C1 ZINC000162783298 350426864 /nfs/dbraw/zinc/42/68/64/350426864.db2.gz SFHMILFFDJZLKE-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN Cc1nn(C)c(C)c1CNC[C@H]1COCCO1 ZINC000037998145 180340191 /nfs/dbraw/zinc/34/01/91/180340191.db2.gz WMRURECWIIJKKQ-NSHDSACASA-N 0 3 239.319 0.542 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@@H](C)C[S@](C)=O ZINC000164302618 180340948 /nfs/dbraw/zinc/34/09/48/180340948.db2.gz BEMOFTGPIZROBF-ZKANADHPSA-N 0 3 243.376 0.894 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@@H]1CCN(C)C1 ZINC000042544973 180341043 /nfs/dbraw/zinc/34/10/43/180341043.db2.gz CPQDBXVEBWNKCW-LLVKDONJSA-N 0 3 222.336 0.831 20 0 BCADHN Cc1nn(C)c(C)c1CNCCC[S@@](C)=O ZINC000124215296 180341084 /nfs/dbraw/zinc/34/10/84/180341084.db2.gz VNPHLGVWGSLPKC-INIZCTEOSA-N 0 3 243.376 0.895 20 0 BCADHN Cc1[nH]n(C)c2nnc(NC(=O)C(C)(C)N)c1-2 ZINC000237775704 180362223 /nfs/dbraw/zinc/36/22/23/180362223.db2.gz VLCHMAVIUWWVQF-UHFFFAOYSA-N 0 3 236.279 0.281 20 0 BCADHN CC[C@@H](C(=O)NCC[C@H](COC)OC)N(C)C ZINC000617237606 350451831 /nfs/dbraw/zinc/45/18/31/350451831.db2.gz QBDLLXQVAGHAER-MNOVXSKESA-N 0 3 246.351 0.494 20 0 BCADHN CC(C)COCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000571679491 323343207 /nfs/dbraw/zinc/34/32/07/323343207.db2.gz QNSLEJYZXOORKW-RYUDHWBXSA-N 0 3 231.336 0.334 20 0 BCADHN Cc1nn(C)cc1C(=O)NCCN(C)C ZINC000012015587 180368504 /nfs/dbraw/zinc/36/85/04/180368504.db2.gz OSSYIDZSPJWLEV-UHFFFAOYSA-N 0 3 210.281 0.020 20 0 BCADHN Cc1nn(C)cc1C(=O)NCC1=CCN(C)CC1 ZINC000271810598 180369559 /nfs/dbraw/zinc/36/95/59/180369559.db2.gz FIXKDRYJHFQROY-UHFFFAOYSA-N 0 3 248.330 0.720 20 0 BCADHN COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)N ZINC000034185411 350464518 /nfs/dbraw/zinc/46/45/18/350464518.db2.gz YXRMSKDLRGNVGS-SFYZADRCSA-N 0 3 216.281 0.038 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H](C)C(=O)N(C)C)N(C)C ZINC000359334257 323353871 /nfs/dbraw/zinc/35/38/71/323353871.db2.gz SFDWVWCDSHPMSJ-NXEZZACHSA-N 0 3 243.351 0.166 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC(=O)C(C)(C)N ZINC000083905664 180378249 /nfs/dbraw/zinc/37/82/49/180378249.db2.gz VPUWLRMBZOIZTP-SSDOTTSWSA-N 0 3 224.308 0.643 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC[C@@H](O)CN(C)C ZINC000361231222 180379098 /nfs/dbraw/zinc/37/90/98/180379098.db2.gz SIFAQXQPQBOXCZ-MWLCHTKSSA-N 0 3 240.351 0.302 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000178043402 180380571 /nfs/dbraw/zinc/38/05/71/180380571.db2.gz QKBXCPDIRUAMKM-KWQFWETISA-N 0 3 238.335 0.889 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NC(=O)C1(N)CC1 ZINC000353625473 180380798 /nfs/dbraw/zinc/38/07/98/180380798.db2.gz AERFNEMLWAHEEJ-ZETCQYMHSA-N 0 3 222.292 0.397 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NCCN(C)C ZINC000083569285 180380910 /nfs/dbraw/zinc/38/09/10/180380910.db2.gz MZDOWFCYPPCXOR-VIFPVBQESA-N 0 3 210.325 0.941 20 0 BCADHN CC1(C)CN(C[C@H]2CCCOC2)C[C@H](CO)O1 ZINC000336725119 350481190 /nfs/dbraw/zinc/48/11/90/350481190.db2.gz OBTHPSNTMJMMCI-VXGBXAGGSA-N 0 3 243.347 0.885 20 0 BCADHN CC1(C)CN(C[C@@H]2CCCOC2)C[C@@H](CO)O1 ZINC000336725118 350481431 /nfs/dbraw/zinc/48/14/31/350481431.db2.gz OBTHPSNTMJMMCI-RYUDHWBXSA-N 0 3 243.347 0.885 20 0 BCADHN COCCOCCN1CCC[C@H](O)C1 ZINC000070029773 350494580 /nfs/dbraw/zinc/49/45/80/350494580.db2.gz LTBVJYYYVSISBP-JTQLQIEISA-N 0 3 203.282 0.106 20 0 BCADHN C[C@H]1C[C@H](O)CN1C(=O)NC[C@H]1CCCN1C ZINC000637380315 350501929 /nfs/dbraw/zinc/50/19/29/350501929.db2.gz GVQNWRMUGRCWNP-AXFHLTTASA-N 0 3 241.335 0.245 20 0 BCADHN c1cn(CCN2CCC[C@@H](n3cncn3)C2)cn1 ZINC000163178362 350504976 /nfs/dbraw/zinc/50/49/76/350504976.db2.gz WMEWLIMCKKAISO-GFCCVEGCSA-N 0 3 246.318 0.812 20 0 BCADHN CSCC[C@@H](N)C(=O)NC[C@@H]1CCCOC1 ZINC000163594809 350531142 /nfs/dbraw/zinc/53/11/42/350531142.db2.gz UOHOGDLFMAUZLP-VHSXEESVSA-N 0 3 246.376 0.610 20 0 BCADHN CCCNC(=O)CN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000128513381 490580811 /nfs/dbraw/zinc/58/08/11/490580811.db2.gz SMJHJJAZPDUKAI-MNOVXSKESA-N 0 3 239.363 0.727 20 0 BCADHN O=C(NCCN1CCCC1)C12CC(C1)C2 ZINC000623544740 362965512 /nfs/dbraw/zinc/96/55/12/362965512.db2.gz IXUOGWSWGYSUTA-UHFFFAOYSA-N 0 3 208.305 0.999 20 0 BCADHN O=C(NCc1cccnc1)[C@@]1(F)CCNC1 ZINC000163378035 350519881 /nfs/dbraw/zinc/51/98/81/350519881.db2.gz VDGPJGFZUKKVIK-LLVKDONJSA-N 0 3 223.251 0.399 20 0 BCADHN COCCOCCN1CCC(CO)(OC)CC1 ZINC000401823601 490587572 /nfs/dbraw/zinc/58/75/72/490587572.db2.gz CLBMXLRAMUCXMS-UHFFFAOYSA-N 0 3 247.335 0.123 20 0 BCADHN CN(C)CCn1ccc(C(=O)N2CCC2)n1 ZINC000577506228 365969694 /nfs/dbraw/zinc/96/96/94/365969694.db2.gz PUAKNEYNAIZBMX-UHFFFAOYSA-N 0 3 222.292 0.291 20 0 BCADHN CC(C)[C@H](C(=O)NCCN1CCC1)N(C)C ZINC000337604513 350599607 /nfs/dbraw/zinc/59/96/07/350599607.db2.gz UMCLMMDBZDMKED-LLVKDONJSA-N 0 3 227.352 0.395 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@@H](O)C1CC1)N(C)C ZINC000337641912 350601915 /nfs/dbraw/zinc/60/19/15/350601915.db2.gz GUCOGIUSFNRXDY-GHMZBOCLSA-N 0 3 228.336 0.460 20 0 BCADHN COCC(COC)N[C@H](C)[C@H]1CCCO1 ZINC000384889982 350618070 /nfs/dbraw/zinc/61/80/70/350618070.db2.gz XSKHYWDGPLGOJY-MWLCHTKSSA-N 0 3 217.309 0.805 20 0 BCADHN Cc1nsc(NC(=O)CNC(C)C)n1 ZINC000131792761 490659618 /nfs/dbraw/zinc/65/96/18/490659618.db2.gz PAYBBLXQMJVSSU-UHFFFAOYSA-N 0 3 214.294 0.783 20 0 BCADHN CSCCN(C)CCN1C(=O)CCC1=O ZINC000152337331 191113794 /nfs/dbraw/zinc/11/37/94/191113794.db2.gz LVLZGUFACDOUQA-UHFFFAOYSA-N 0 3 230.333 0.430 20 0 BCADHN CCCCN(C)CCNC(=O)N[C@H](C)CCO ZINC000120431183 350611392 /nfs/dbraw/zinc/61/13/92/350611392.db2.gz IOAATQUDCBQCCV-LLVKDONJSA-N 0 3 245.367 0.788 20 0 BCADHN C/C=C/CNC(=O)N(CCOC)CCN(C)C ZINC000637488847 350651671 /nfs/dbraw/zinc/65/16/71/350651671.db2.gz RXLWBXFOYCCRRY-AATRIKPKSA-N 0 3 243.351 0.782 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCS[C@H]1C ZINC000300333944 490671544 /nfs/dbraw/zinc/67/15/44/490671544.db2.gz UUWOCWLWFAOOTK-HRDYMLBCSA-N 0 3 237.390 0.903 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N(C)C)CN1C1CC1 ZINC000177199538 365985914 /nfs/dbraw/zinc/98/59/14/365985914.db2.gz VGYAPWUOBAOEDM-RKDXNWHRSA-N 0 3 211.309 0.883 20 0 BCADHN CN1CCO[C@@H]2CN(CCCF)C[C@H]21 ZINC000335714145 538098674 /nfs/dbraw/zinc/09/86/74/538098674.db2.gz ZHLAWNITDPUUJL-NXEZZACHSA-N 0 3 202.273 0.361 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H](CO)C1CCC1)N(C)C ZINC000617305265 350713520 /nfs/dbraw/zinc/71/35/20/350713520.db2.gz KSOKIQMQULNQBJ-VXGBXAGGSA-N 0 3 242.363 0.850 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000575915253 350677111 /nfs/dbraw/zinc/67/71/11/350677111.db2.gz DQAIMMMAAONNSP-QGKZMRNZSA-N 0 3 224.304 0.407 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCN2CCC1CC2 ZINC000335040562 191118811 /nfs/dbraw/zinc/11/88/11/191118811.db2.gz XYUWOFJQELNSHA-NSHDSACASA-N 0 3 225.336 0.276 20 0 BCADHN C[C@@H](O)C[C@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000637532810 350681815 /nfs/dbraw/zinc/68/18/15/350681815.db2.gz MQLHVJKGIKEQFX-AXFHLTTASA-N 0 3 243.351 0.539 20 0 BCADHN C[C@@H](CCO)N(C)C(=O)NC[C@@H]1CCCN1C ZINC000637532518 350683570 /nfs/dbraw/zinc/68/35/70/350683570.db2.gz FLDUEWZFEQQPIM-QWRGUYRKSA-N 0 3 243.351 0.493 20 0 BCADHN CC[C@@H](NC(=O)NC[C@@H]1CCCN1C)[C@H](C)O ZINC000637533334 350684200 /nfs/dbraw/zinc/68/42/00/350684200.db2.gz UEGDTSGSXUMOCF-GARJFASQSA-N 0 3 243.351 0.539 20 0 BCADHN CC[C@@H](O)CN(C)CCc1noc(C)n1 ZINC000339032466 350727952 /nfs/dbraw/zinc/72/79/52/350727952.db2.gz JKECOVFJKSLLEA-SECBINFHSA-N 0 3 213.281 0.623 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)Cc1ccon1 ZINC000564795609 350734130 /nfs/dbraw/zinc/73/41/30/350734130.db2.gz AKFQTRBAWXHESN-MRVPVSSYSA-N 0 3 223.276 0.774 20 0 BCADHN CC[C@@H](O)CN1CCN(CC)C[C@@H]1C ZINC000339192368 350739422 /nfs/dbraw/zinc/73/94/22/350739422.db2.gz PIYGIPGPMWOXHL-WDEREUQCSA-N 0 3 200.326 0.783 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)NCC(C)(C)F)C1 ZINC000637597097 350771120 /nfs/dbraw/zinc/77/11/20/350771120.db2.gz LEYDDSFNNVDWNM-LLVKDONJSA-N 0 3 247.314 0.100 20 0 BCADHN CC(C)(C)N1CC[C@H](NC(=O)C2(O)CCC2)C1 ZINC000617345508 350774939 /nfs/dbraw/zinc/77/49/39/350774939.db2.gz AWJJHVIXQYPGLC-JTQLQIEISA-N 0 3 240.347 0.890 20 0 BCADHN Cc1cc(CN[C@H]2C[C@@H](C(N)=O)C2)ccn1 ZINC000623559836 362983062 /nfs/dbraw/zinc/98/30/62/362983062.db2.gz NKXKFMHJOQSKBG-PHIMTYICSA-N 0 3 219.288 0.744 20 0 BCADHN COCC(C)(C)NCCn1ccccc1=O ZINC000122347510 362983907 /nfs/dbraw/zinc/98/39/07/362983907.db2.gz OPCFTLUYWVNOEG-UHFFFAOYSA-N 0 3 224.304 0.863 20 0 BCADHN CN(CCn1ccnc1)[C@@H]1CCC(=O)N(C)C1 ZINC000563362181 350824918 /nfs/dbraw/zinc/82/49/18/350824918.db2.gz ATZHJKPQOJXMLM-LLVKDONJSA-N 0 3 236.319 0.436 20 0 BCADHN O=C(CNCc1ccc(=O)[nH]c1)NCC1CC1 ZINC000631108369 350811628 /nfs/dbraw/zinc/81/16/28/350811628.db2.gz BHZIVWVOSCBXNC-UHFFFAOYSA-N 0 3 235.287 0.403 20 0 BCADHN CC[C@@H](O)CN1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000366564483 350905675 /nfs/dbraw/zinc/90/56/75/350905675.db2.gz DFXUZYCZDFPQKQ-IJLUTSLNSA-N 0 3 229.320 0.637 20 0 BCADHN O[C@H](Cn1cccn1)CN1CCSCC1 ZINC000051914893 350870387 /nfs/dbraw/zinc/87/03/87/350870387.db2.gz IQCXZWBBNZGIFJ-JTQLQIEISA-N 0 3 227.333 0.293 20 0 BCADHN CC(C)n1cc([C@@H](C)NC(=O)[C@@H](C)N)cn1 ZINC000575744655 350886569 /nfs/dbraw/zinc/88/65/69/350886569.db2.gz DFVMCULCJBDGTJ-RKDXNWHRSA-N 0 3 224.308 0.988 20 0 BCADHN CCNC(=O)CCN1CCN(CC2CC2)CC1 ZINC000052165625 350958927 /nfs/dbraw/zinc/95/89/27/350958927.db2.gz GKYXSIBHJHHRMB-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN CN(CCC[NH+](C)C)C(=O)c1cc(=O)[n-]cn1 ZINC000626364759 351007304 /nfs/dbraw/zinc/00/73/04/351007304.db2.gz YKQDPXOEHYMSFO-UHFFFAOYSA-N 0 3 238.291 0.206 20 0 BCADHN CCc1nnc(NC(=O)[C@H](N)CC)s1 ZINC000129101177 350987120 /nfs/dbraw/zinc/98/71/20/350987120.db2.gz GJJIDRBPEBIKBC-RXMQYKEDSA-N 0 3 214.294 0.776 20 0 BCADHN CCOCCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000052497893 351005128 /nfs/dbraw/zinc/00/51/28/351005128.db2.gz LPGDLSSCUQKYNG-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN NC(=O)CCN[C@@H](CO)c1ccc(Cl)cc1 ZINC000577610354 366017458 /nfs/dbraw/zinc/01/74/58/366017458.db2.gz FMPSAPHIJPGPBU-JTQLQIEISA-N 0 3 242.706 0.838 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)[C@H](N)CC(C)C ZINC000236961379 351116142 /nfs/dbraw/zinc/11/61/42/351116142.db2.gz LNRPHJJOTQYUJA-NXEZZACHSA-N 0 3 244.335 0.675 20 0 BCADHN CSC[C@@H](C)NC(=O)C[C@@H]1CNCCO1 ZINC000158438274 351151060 /nfs/dbraw/zinc/15/10/60/351151060.db2.gz BRMNPBUQRDYXAM-RKDXNWHRSA-N 0 3 232.349 0.233 20 0 BCADHN CC1(C(N)=O)CN(Cc2cccc3n[nH]cc32)C1 ZINC000628321406 351182474 /nfs/dbraw/zinc/18/24/74/351182474.db2.gz FYYLYCASPZIKJE-UHFFFAOYSA-N 0 3 244.298 0.870 20 0 BCADHN COc1cccc([C@H]2CNCCN2CCO)c1 ZINC000616637385 351132152 /nfs/dbraw/zinc/13/21/52/351132152.db2.gz WRIKAODZVUGICN-CYBMUJFWSA-N 0 3 236.315 0.634 20 0 BCADHN CCc1cnc(NC(=O)[C@H]2C[C@H](O)CN2)s1 ZINC000262463144 351142856 /nfs/dbraw/zinc/14/28/56/351142856.db2.gz FZLXVEGTTKXBGL-POYBYMJQSA-N 0 3 241.316 0.367 20 0 BCADHN CCN1CCN(Cc2nccn2C)[C@@H](C)C1 ZINC000264308200 351232830 /nfs/dbraw/zinc/23/28/30/351232830.db2.gz ZEWSQZDDQJBMFR-NSHDSACASA-N 0 3 222.336 0.946 20 0 BCADHN Cc1ncc(CN2CCN3C[C@H](O)C[C@H]3C2)o1 ZINC000628327840 351264217 /nfs/dbraw/zinc/26/42/17/351264217.db2.gz SQYKCHCAFLWCKS-WDEREUQCSA-N 0 3 237.303 0.234 20 0 BCADHN CCN1C[C@H](CNCc2cnc(C)o2)CC1=O ZINC000628325379 351251105 /nfs/dbraw/zinc/25/11/05/351251105.db2.gz KNWRWDUTMIIOSN-JTQLQIEISA-N 0 3 237.303 0.941 20 0 BCADHN NC1(C(=O)NCCOC(F)(F)F)CCCC1 ZINC000398138576 363018590 /nfs/dbraw/zinc/01/85/90/363018590.db2.gz OVQGJZAWEMJWMH-UHFFFAOYSA-N 0 3 240.225 0.911 20 0 BCADHN C[C@@H]1CCC[C@@H](Nc2nc(N)nc(N)n2)[C@H]1C ZINC000623792157 363022402 /nfs/dbraw/zinc/02/24/02/363022402.db2.gz IUHNRZBSKMWGSW-GJMOJQLCSA-N 0 3 236.323 0.355 20 0 BCADHN CCN1CCN(CCNc2ccnc(C)n2)CC1 ZINC000266391937 351291182 /nfs/dbraw/zinc/29/11/82/351291182.db2.gz OBEAJKKNPJUGLJ-UHFFFAOYSA-N 0 3 249.362 0.834 20 0 BCADHN CC[C@H]1CCC[C@@H]1NCc1nnnn1C ZINC000379930430 351292054 /nfs/dbraw/zinc/29/20/54/351292054.db2.gz OENDJMWSAHOBMI-IUCAKERBSA-N 0 3 209.297 0.878 20 0 BCADHN CCN1CCCN(Cc2cncn2C)CC1 ZINC000267636824 351317543 /nfs/dbraw/zinc/31/75/43/351317543.db2.gz SBKXDPDQPBUANT-UHFFFAOYSA-N 0 3 222.336 0.948 20 0 BCADHN O[C@@H]1COC[C@H]1N[C@H]1CCCc2ncccc21 ZINC000631634623 351321826 /nfs/dbraw/zinc/32/18/26/351321826.db2.gz YLUSSNVWKMBVNM-YNEHKIRRSA-N 0 3 234.299 0.808 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](C)CC1 ZINC000063309047 351322633 /nfs/dbraw/zinc/32/26/33/351322633.db2.gz HGPTXQRMLVRPNA-ZJUUUORDSA-N 0 3 241.335 0.953 20 0 BCADHN O=C(CNCC1(O)CCCC1)N1CCCC1 ZINC000083466200 351386369 /nfs/dbraw/zinc/38/63/69/351386369.db2.gz XGIOMEREDXASNB-UHFFFAOYSA-N 0 3 226.320 0.504 20 0 BCADHN CC[C@@H](O)CCNC(=O)/C=C/CN(C)C ZINC000268723701 351339950 /nfs/dbraw/zinc/33/99/50/351339950.db2.gz YWIDQYCVSRMYRR-BRAIEQGRSA-N 0 3 214.309 0.381 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)NCCN(C)C)[C@@H](C)O1 ZINC000637653815 351451497 /nfs/dbraw/zinc/45/14/97/351451497.db2.gz ITLUZOGPXIOZFC-BBBLOLIVSA-N 0 3 229.324 0.413 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N(C)CCN(C)C)[C@@H](C)O1 ZINC000637654341 351459138 /nfs/dbraw/zinc/45/91/38/351459138.db2.gz KTGGAJPVQKRLON-GMTAPVOTSA-N 0 3 243.351 0.755 20 0 BCADHN O=C(CCN1CCC[C@H](O)C1)NC1CCCC1 ZINC000060460601 191134931 /nfs/dbraw/zinc/13/49/31/191134931.db2.gz VJTXDRBYATXILH-LBPRGKRZSA-N 0 3 240.347 0.892 20 0 BCADHN C[C@@H](O)CN1CCC(N2CCCNC2=O)CC1 ZINC000060190459 191135072 /nfs/dbraw/zinc/13/50/72/191135072.db2.gz SMZSHYQHLUZIOK-SNVBAGLBSA-N 0 3 241.335 0.247 20 0 BCADHN CCN(C[C@H]1CCCO1)C(=O)C1(N)CCC1 ZINC000088050823 351537903 /nfs/dbraw/zinc/53/79/03/351537903.db2.gz YIQUNFZYGPOLAO-SNVBAGLBSA-N 0 3 226.320 0.895 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CCC2)CC(C)(C)O1 ZINC000088050955 351539071 /nfs/dbraw/zinc/53/90/71/351539071.db2.gz GTKMPKQYPBVSGM-SECBINFHSA-N 0 3 226.320 0.894 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)C1(N)CCC1 ZINC000088050604 351541650 /nfs/dbraw/zinc/54/16/50/351541650.db2.gz JPNNTKXDYMDJGN-MRVPVSSYSA-N 0 3 228.292 0.135 20 0 BCADHN CN[C@@H](C)C(=O)NCCCCn1ccnc1C ZINC000577625504 366023907 /nfs/dbraw/zinc/02/39/07/366023907.db2.gz KSVGEPIEJULQEU-JTQLQIEISA-N 0 3 238.335 0.696 20 0 BCADHN Cc1cc(CO)oc1C(=O)N1CCCNCC1 ZINC000637802891 351637824 /nfs/dbraw/zinc/63/78/24/351637824.db2.gz ACZPXCIBURVZLL-UHFFFAOYSA-N 0 3 238.287 0.516 20 0 BCADHN Cc1n[nH]cc1CNCCN1CCCC1=O ZINC000405348926 363077472 /nfs/dbraw/zinc/07/74/72/363077472.db2.gz XWRJCDJSCYZYCR-UHFFFAOYSA-N 0 3 222.292 0.430 20 0 BCADHN Cc1cc(CN)oc1C(=O)N1CCNC[C@H]1C ZINC000637817562 351662287 /nfs/dbraw/zinc/66/22/87/351662287.db2.gz VJKJDHBFHUPNAG-SECBINFHSA-N 0 3 237.303 0.481 20 0 BCADHN CN1CCN(CC(C)(C)N2CCOCC2)CC1 ZINC000637811251 351652321 /nfs/dbraw/zinc/65/23/21/351652321.db2.gz NTXVKCMEMMYICU-UHFFFAOYSA-N 0 3 241.379 0.345 20 0 BCADHN CN(C)C[C@@H]1CN(Cc2ccns2)CCO1 ZINC000637820489 351660759 /nfs/dbraw/zinc/66/07/59/351660759.db2.gz OJEMXIGJBJZYEW-SNVBAGLBSA-N 0 3 241.360 0.906 20 0 BCADHN [NH3+]C1CCN(C(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000637797853 351625811 /nfs/dbraw/zinc/62/58/11/351625811.db2.gz GQFWPZQOWZZNQF-UHFFFAOYSA-N 0 3 239.250 0.490 20 0 BCADHN CCN[C@H](C)C(=O)N1CCCN(C(C)=O)CC1 ZINC000637798054 351626721 /nfs/dbraw/zinc/62/67/21/351626721.db2.gz FHBFJXZNWOKZDB-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CC[C@@H](COC)NC1CN(C(C)=O)C1 ZINC000577648904 366030841 /nfs/dbraw/zinc/03/08/41/366030841.db2.gz NTKPMACHZSTUIL-VIFPVBQESA-N 0 3 200.282 0.232 20 0 BCADHN COc1cncc(CN2CC[C@@H](C(N)=O)C2)c1C ZINC000637829677 351677809 /nfs/dbraw/zinc/67/78/09/351677809.db2.gz QJAMLXVOKYNFJO-SNVBAGLBSA-N 0 3 249.314 0.706 20 0 BCADHN NC(=O)[C@@H]1CCN(Cc2cccc(F)c2N)C1 ZINC000637830407 351680234 /nfs/dbraw/zinc/68/02/34/351680234.db2.gz YTXICECTRJMBBT-SECBINFHSA-N 0 3 237.278 0.715 20 0 BCADHN NC(=O)C1CCN(Cc2ccc(=O)[nH]c2)CC1 ZINC000637835418 351686919 /nfs/dbraw/zinc/68/69/19/351686919.db2.gz OXXIJAGCBVGFAV-UHFFFAOYSA-N 0 3 235.287 0.485 20 0 BCADHN Cc1nccn1CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000637838882 351689219 /nfs/dbraw/zinc/68/92/19/351689219.db2.gz DMEKPPRGZLWVQR-NXEZZACHSA-N 0 3 236.319 0.400 20 0 BCADHN COCC[C@H](C)NC(=O)[C@H](N)C1CCOCC1 ZINC000337833176 191139635 /nfs/dbraw/zinc/13/96/35/191139635.db2.gz SZVOUCZSJNIMQV-GXSJLCMTSA-N 0 3 244.335 0.282 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000637838633 351693859 /nfs/dbraw/zinc/69/38/59/351693859.db2.gz ACCWZECUGFIBTN-TUAOUCFPSA-N 0 3 241.379 0.959 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000637838632 351693875 /nfs/dbraw/zinc/69/38/75/351693875.db2.gz ACCWZECUGFIBTN-SRVKXCTJSA-N 0 3 241.379 0.959 20 0 BCADHN C[C@@H]1CN(C(=O)c2cc(=O)[nH]cn2)C[C@@H](C)N1 ZINC000637840372 351695743 /nfs/dbraw/zinc/69/57/43/351695743.db2.gz PEWYEQQPOACYIY-HTQZYQBOSA-N 0 3 236.275 0.005 20 0 BCADHN OCCCN1CCC[C@H](NCC2(F)CC2)C1 ZINC000577705747 366039731 /nfs/dbraw/zinc/03/97/31/366039731.db2.gz ZARYIGOFHYACRH-NSHDSACASA-N 0 3 230.327 0.925 20 0 BCADHN COc1cccnc1C(=O)N1CCNCC1(C)C ZINC000637856935 351717140 /nfs/dbraw/zinc/71/71/40/351717140.db2.gz JPGWVAPRCSYOKS-UHFFFAOYSA-N 0 3 249.314 0.914 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H]1CCS(=O)(=O)C1 ZINC000252715927 538101140 /nfs/dbraw/zinc/10/11/40/538101140.db2.gz XCOQIJGJCVLSIJ-YIZRAAEISA-N 0 3 221.322 0.187 20 0 BCADHN Cc1ccnc(C(=O)N2CCNCC2(C)C)n1 ZINC000637857943 351718937 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0.948 20 0 BCADHN CC[C@@](C)(CN(C)[C@@H]1CCNC1=O)OC ZINC000638181650 352048326 /nfs/dbraw/zinc/04/83/26/352048326.db2.gz IGKAIECGVODRJH-KOLCDFICSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H]1CN(Cc2ccc(=O)[nH]c2)C[C@@H]1O ZINC000638182265 352049160 /nfs/dbraw/zinc/04/91/60/352049160.db2.gz KDWGCLWNFARFLA-MNOVXSKESA-N 0 3 222.288 0.990 20 0 BCADHN Cc1nccn1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000638197804 352060173 /nfs/dbraw/zinc/06/01/73/352060173.db2.gz OJDKGHVWVONGOU-TXEJJXNPSA-N 0 3 248.330 0.544 20 0 BCADHN C[C@H]1NCCN(C(=O)[C@@H]2CCCCN2C)[C@@H]1C ZINC000638202892 352064169 /nfs/dbraw/zinc/06/41/69/352064169.db2.gz BRTNAXGUJXZYSD-UTUOFQBUSA-N 0 3 239.363 0.680 20 0 BCADHN COc1cccnc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000638203735 352064850 /nfs/dbraw/zinc/06/48/50/352064850.db2.gz HENYPMPUYNJTGL-ZJUUUORDSA-N 0 3 249.314 0.913 20 0 BCADHN C[C@H]1NCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@@H]1C ZINC000638203763 352064921 /nfs/dbraw/zinc/06/49/21/352064921.db2.gz HNPHWOKIBMOOJJ-GWOFURMSSA-N 0 3 248.330 0.722 20 0 BCADHN C[C@H]1NCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H]1C ZINC000638203763 352064924 /nfs/dbraw/zinc/06/49/24/352064924.db2.gz HNPHWOKIBMOOJJ-GWOFURMSSA-N 0 3 248.330 0.722 20 0 BCADHN Cc1cncn1CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000638205560 352067371 /nfs/dbraw/zinc/06/73/71/352067371.db2.gz ICBXLFZGVMBGQM-QWRGUYRKSA-N 0 3 236.319 0.400 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cn(C3CC3)nn2)[C@@H]1C ZINC000638207583 352068936 /nfs/dbraw/zinc/06/89/36/352068936.db2.gz PNWJEECVXJFUAG-RKDXNWHRSA-N 0 3 249.318 0.435 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cccnn2)[C@H]1C ZINC000638207574 352069335 /nfs/dbraw/zinc/06/93/35/352069335.db2.gz PIUZWTNYQWNUNO-IUCAKERBSA-N 0 3 220.276 0.299 20 0 BCADHN Cc1ccnc(C(=O)N2C[C@@H](C)NC[C@@H]2C)n1 ZINC000638158835 352023321 /nfs/dbraw/zinc/02/33/21/352023321.db2.gz SZRZTKBXPMIMME-ZJUUUORDSA-N 0 3 234.303 0.607 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000638158029 352025374 /nfs/dbraw/zinc/02/53/74/352025374.db2.gz 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BCADHN CCN1CCN(Cc2cncn2C)[C@@H](C)C1 ZINC000286386385 352087361 /nfs/dbraw/zinc/08/73/61/352087361.db2.gz GUPVTXJHGLTQMH-NSHDSACASA-N 0 3 222.336 0.946 20 0 BCADHN CCN1CCN(Cc2cnn(C)c2)[C@@H](C)C1 ZINC000286386922 352087648 /nfs/dbraw/zinc/08/76/48/352087648.db2.gz GWFMOLQOVSWHQA-NSHDSACASA-N 0 3 222.336 0.946 20 0 BCADHN CN1CCCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000638246684 352093338 /nfs/dbraw/zinc/09/33/38/352093338.db2.gz DCIOSQMSNXEZLB-DCAQKATOSA-N 0 3 243.326 0.287 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1CCNC(C)(C)C1 ZINC000638269792 352107184 /nfs/dbraw/zinc/10/71/84/352107184.db2.gz AJDWEEFDXMYETL-UHFFFAOYSA-N 0 3 236.319 0.471 20 0 BCADHN CCN[C@H](C)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000638309418 352137554 /nfs/dbraw/zinc/13/75/54/352137554.db2.gz ZFICABQECCXFDZ-MXWKQRLJSA-N 0 3 228.336 0.604 20 0 BCADHN CCN[C@H](C)C(=O)N1CCCN(CC)C(=O)C1 ZINC000638309343 352136340 /nfs/dbraw/zinc/13/63/40/352136340.db2.gz XVUVSEJLNKHCPJ-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@H]1CCC[C@@H]1OC ZINC000638278269 352114450 /nfs/dbraw/zinc/11/44/50/352114450.db2.gz ZMSCOBOQVQBZDQ-VWYCJHECSA-N 0 3 228.336 0.916 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000638278148 352114792 /nfs/dbraw/zinc/11/47/92/352114792.db2.gz ZRYKACZCRIYOHX-BIMULSAOSA-N 0 3 248.326 0.759 20 0 BCADHN CCc1ncc(NC(=O)[C@@H]2OCC[C@@H]2N)cn1 ZINC000638278921 352115372 /nfs/dbraw/zinc/11/53/72/352115372.db2.gz WKUZCODBEJFKAO-WCBMZHEXSA-N 0 3 236.275 0.094 20 0 BCADHN COC[C@]1(C(=O)NC[C@H](C)OC)CCCCN1 ZINC000638280915 352116991 /nfs/dbraw/zinc/11/69/91/352116991.db2.gz GKDRCKVITVBXRU-JQWIXIFHSA-N 0 3 244.335 0.296 20 0 BCADHN C[C@H]1CCC[C@H](NCc2cnc(N)nc2N)C1 ZINC000638332541 352151092 /nfs/dbraw/zinc/15/10/92/352151092.db2.gz HXVVJTMGOGZSDC-WPRPVWTQSA-N 0 3 235.335 0.970 20 0 BCADHN O=C(NC[C@H]1CNCCO1)[C@H]1CCCC12CC2 ZINC000638337036 352155576 /nfs/dbraw/zinc/15/55/76/352155576.db2.gz BPMZQINBWDGNOG-GHMZBOCLSA-N 0 3 238.331 0.671 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)C1(C(F)F)CCC1 ZINC000638337434 352155878 /nfs/dbraw/zinc/15/58/78/352155878.db2.gz GVECEXSKNFRKCO-QMMMGPOBSA-N 0 3 248.273 0.526 20 0 BCADHN CNc1cccc(C(=O)NC[C@H]2CNCCO2)c1 ZINC000638338270 352158361 /nfs/dbraw/zinc/15/83/61/352158361.db2.gz UVJKCPUJAYTVIE-GFCCVEGCSA-N 0 3 249.314 0.447 20 0 BCADHN C[C@H](CNC(=O)CN1CCNCC1)CC(F)F ZINC000638370221 352181093 /nfs/dbraw/zinc/18/10/93/352181093.db2.gz ABCDFUMKBVPQEQ-VIFPVBQESA-N 0 3 249.305 0.299 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCCOCC1CCC1 ZINC000638372857 352182954 /nfs/dbraw/zinc/18/29/54/352182954.db2.gz ZATPMGOEPDWUFI-MNOVXSKESA-N 0 3 242.319 0.036 20 0 BCADHN CCN[C@@H](C)C(=O)NCCC1(COC)CC1 ZINC000638370909 352183787 /nfs/dbraw/zinc/18/37/87/352183787.db2.gz GPOJPGZGBXSEMY-JTQLQIEISA-N 0 3 228.336 0.917 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CCS[C@H]1C ZINC000638380532 352190835 /nfs/dbraw/zinc/19/08/35/352190835.db2.gz GGTLANBTZLXGAA-VGMNWLOBSA-N 0 3 216.350 0.995 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000638379056 352191809 /nfs/dbraw/zinc/19/18/09/352191809.db2.gz WGXHHXYWZOEXHX-DJLDLDEBSA-N 0 3 200.282 0.278 20 0 BCADHN C[C@H]1SCC[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638381547 352192920 /nfs/dbraw/zinc/19/29/20/352192920.db2.gz MLARCFBVNZADEC-RYPBNFRJSA-N 0 3 230.333 0.113 20 0 BCADHN Cn1ccc(CN2CCC(C(N)=O)CC2)c1 ZINC000158599652 180690583 /nfs/dbraw/zinc/69/05/83/180690583.db2.gz YYTLLRFQSJAWJZ-UHFFFAOYSA-N 0 3 221.304 0.722 20 0 BCADHN C[C@H]1CCCCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638312969 352138884 /nfs/dbraw/zinc/13/88/84/352138884.db2.gz LRJPQDAQXKJCGP-GARJFASQSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H]1CCCCN(C(=O)CN2CCNCC2)C1 ZINC000638313071 352139365 /nfs/dbraw/zinc/13/93/65/352139365.db2.gz OUOIXDKFJSRQSG-GFCCVEGCSA-N 0 3 239.363 0.540 20 0 BCADHN CCN[C@@H](C)C(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC000638316147 352139880 /nfs/dbraw/zinc/13/98/80/352139880.db2.gz KTOVFOVVCIRZTP-QWRGUYRKSA-N 0 3 242.363 0.898 20 0 BCADHN CC[C@H](CO)NCc1cc2c(cn1)OCCO2 ZINC000638315965 352140008 /nfs/dbraw/zinc/14/00/08/352140008.db2.gz ILMOEUFFIUSSIM-SECBINFHSA-N 0 3 238.287 0.713 20 0 BCADHN Cc1nnc(NC(=O)[C@@H](N)CCC(C)C)n1C ZINC000638316567 352141309 /nfs/dbraw/zinc/14/13/09/352141309.db2.gz MQRSATBFHVWUJL-VIFPVBQESA-N 0 3 239.323 0.826 20 0 BCADHN CCN1CCN(C(=O)c2cnc[nH]2)[C@@H](C)C1 ZINC000288430204 352149527 /nfs/dbraw/zinc/14/95/27/352149527.db2.gz MOQJKTJCHZRYRF-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN CCO[C@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)C(C)C ZINC000638431674 352236887 /nfs/dbraw/zinc/23/68/87/352236887.db2.gz SWGFJFSIGHFSQF-MXWKQRLJSA-N 0 3 246.326 0.945 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)c1nccn1C ZINC000638428973 352236946 /nfs/dbraw/zinc/23/69/46/352236946.db2.gz FWXJDSRQRGHDDU-RKDXNWHRSA-N 0 3 224.308 0.595 20 0 BCADHN COC1CC(C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000638430458 352238667 /nfs/dbraw/zinc/23/86/67/352238667.db2.gz KQYPVRDOEJGXMG-YDYPAMBWSA-N 0 3 230.283 0.309 20 0 BCADHN Cc1nccn1CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000638430538 352238777 /nfs/dbraw/zinc/23/87/77/352238777.db2.gz MEDJUDWWBBGFFC-NXEZZACHSA-N 0 3 240.282 0.089 20 0 BCADHN CCO[C@@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)C(C)C ZINC000638431643 352240307 /nfs/dbraw/zinc/24/03/07/352240307.db2.gz SWGFJFSIGHFSQF-GMTAPVOTSA-N 0 3 246.326 0.945 20 0 BCADHN CCC[C@H](C)C(=O)NCCNCCOC ZINC000212781770 363119703 /nfs/dbraw/zinc/11/97/03/363119703.db2.gz LVFYSXNDUCGWKP-JTQLQIEISA-N 0 3 216.325 0.775 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)C(C)(C)N ZINC000225443320 535174248 /nfs/dbraw/zinc/17/42/48/535174248.db2.gz VQGBCESEXNZRFH-MRVPVSSYSA-N 0 3 202.298 0.247 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000638405358 352212196 /nfs/dbraw/zinc/21/21/96/352212196.db2.gz YKGZIFFVHWFLMQ-DCAQKATOSA-N 0 3 226.320 0.764 20 0 BCADHN CCN[C@@H](C)C(=O)NCCO[C@@H]1CC1(F)F ZINC000638407673 352212928 /nfs/dbraw/zinc/21/29/28/352212928.db2.gz HXUVGVFHPNBMTB-JGVFFNPUSA-N 0 3 236.262 0.525 20 0 BCADHN CCN[C@H](C)C(=O)NCCO[C@H]1CC1(F)F ZINC000638407674 352213185 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WQKHYHQMWKDWQW-ZDUSSCGKSA-N 0 3 246.314 0.696 20 0 BCADHN Cc1nn(C)cc1CN1C[C@@H](O)C(C)(C)C1 ZINC000280579667 188031828 /nfs/dbraw/zinc/03/18/28/188031828.db2.gz WNPOSDRTZGTUCS-LLVKDONJSA-N 0 3 223.320 0.931 20 0 BCADHN CC(C)N(C)CC(=O)NCC1=CCCOC1 ZINC000287963474 188035223 /nfs/dbraw/zinc/03/52/23/188035223.db2.gz DSWKIQGODKZGLS-UHFFFAOYSA-N 0 3 226.320 0.790 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCCn1cccn1 ZINC000042542280 188042516 /nfs/dbraw/zinc/04/25/16/188042516.db2.gz RKHKHJYCVAYCPG-SECBINFHSA-N 0 3 224.308 0.373 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCCN1CCCCC1 ZINC000049575435 188046006 /nfs/dbraw/zinc/04/60/06/188046006.db2.gz YGTYSLLVKMADNO-LLVKDONJSA-N 0 3 241.379 0.962 20 0 BCADHN CC(C)[N@H+](C)CC(=O)N(C)Cc1nnc[n-]1 ZINC000331279346 188046954 /nfs/dbraw/zinc/04/69/54/188046954.db2.gz ZOZOOXVKXYYFHU-UHFFFAOYSA-N 0 3 225.296 0.103 20 0 BCADHN CC(C)[N@@H+](C)CC(=O)N(C)Cc1nnc[n-]1 ZINC000331279346 188046955 /nfs/dbraw/zinc/04/69/55/188046955.db2.gz ZOZOOXVKXYYFHU-UHFFFAOYSA-N 0 3 225.296 0.103 20 0 BCADHN CC(C)[C@H](C(=O)NCC(N)=O)N1CCCCC1 ZINC000067246941 188050518 /nfs/dbraw/zinc/05/05/18/188050518.db2.gz PLEGTXQPWROUJX-LLVKDONJSA-N 0 3 241.335 0.098 20 0 BCADHN CC(C)(CC(N)=O)NCc1ccc(CO)cc1 ZINC000186255036 188050557 /nfs/dbraw/zinc/05/05/57/188050557.db2.gz FFWLHFRKYMBTMK-UHFFFAOYSA-N 0 3 236.315 0.923 20 0 BCADHN CCCC[C@@H](N)C(=O)N(CCOC)CCOC ZINC000037619523 358475004 /nfs/dbraw/zinc/47/50/04/358475004.db2.gz OUQIAFIAMWVGGB-LLVKDONJSA-N 0 3 246.351 0.625 20 0 BCADHN CC(C)[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000333480904 188054526 /nfs/dbraw/zinc/05/45/26/188054526.db2.gz BKTMGEQYQYLIPZ-GARJFASQSA-N 0 3 241.335 0.319 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)NC[C@@H](C)N(C)C ZINC000352622476 188057899 /nfs/dbraw/zinc/05/78/99/188057899.db2.gz DFIXDOSUAIHYEN-MWLCHTKSSA-N 0 3 216.325 0.460 20 0 BCADHN CC(C(=O)NC1CCCC1)S(C)(=O)=O ZINC000046900055 353148155 /nfs/dbraw/zinc/14/81/55/353148155.db2.gz NDBBYSZJHVFXIR-SSDOTTSWSA-N 0 3 219.306 0.478 20 0 BCADHN O=C(CCc1c[nH]cn1)N1CCN2CCC1CC2 ZINC000329318406 538108890 /nfs/dbraw/zinc/10/88/90/538108890.db2.gz IFASFGARYPBWAR-UHFFFAOYSA-N 0 3 248.330 0.649 20 0 BCADHN O=C(CCc1cnc[nH]1)N1CCN2CCC1CC2 ZINC000329318406 538108891 /nfs/dbraw/zinc/10/88/91/538108891.db2.gz IFASFGARYPBWAR-UHFFFAOYSA-N 0 3 248.330 0.649 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@H](C)c1nncn1C ZINC000037620137 358475163 /nfs/dbraw/zinc/47/51/63/358475163.db2.gz SAHMEDHAOUEYEV-RKDXNWHRSA-N 0 3 239.323 0.510 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000225391413 363204386 /nfs/dbraw/zinc/20/43/86/363204386.db2.gz LAPHIIJMLGYTTB-NTSWFWBYSA-N 0 3 228.214 0.153 20 0 BCADHN Cn1nncc1CNCCOc1ccccc1 ZINC000135845454 180869873 /nfs/dbraw/zinc/86/98/73/180869873.db2.gz BORUJSLUUREFGO-UHFFFAOYSA-N 0 3 232.287 0.984 20 0 BCADHN COCCNCC(=O)N[C@]12C[C@H]1CCCC2 ZINC000638972335 353177412 /nfs/dbraw/zinc/17/74/12/353177412.db2.gz GDUUQVSLHJOYGY-ZYHUDNBSSA-N 0 3 226.320 0.671 20 0 BCADHN O=C1C[C@H]2CC[C@@H](C1)N2CCn1cncn1 ZINC000329775235 538109509 /nfs/dbraw/zinc/10/95/09/538109509.db2.gz JDBUVTMXSSBIIF-AOOOYVTPSA-N 0 3 220.276 0.474 20 0 BCADHN CCN(C)CCNC(=O)Nc1nncs1 ZINC000049337572 353163220 /nfs/dbraw/zinc/16/32/20/353163220.db2.gz UYOWRCULKPBACP-UHFFFAOYSA-N 0 3 229.309 0.611 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H]1CCSC1 ZINC000225488970 363206212 /nfs/dbraw/zinc/20/62/12/363206212.db2.gz IERUVNXQAULONT-SFYZADRCSA-N 0 3 234.390 0.689 20 0 BCADHN CC[C@H](O)CNCc1snnc1C ZINC000308341352 353195191 /nfs/dbraw/zinc/19/51/91/353195191.db2.gz RCEXWBXTZCRONM-ZETCQYMHSA-N 0 3 201.295 0.707 20 0 BCADHN C[C@H](CNC(=O)Cc1ccco1)N(C)C ZINC000268770304 538109987 /nfs/dbraw/zinc/10/99/87/538109987.db2.gz PMTCAYGRRIRRSC-SECBINFHSA-N 0 3 210.277 0.888 20 0 BCADHN Cc1ncc([C@H](C)NC(=O)[C@@H](C)N)s1 ZINC000638974286 353180087 /nfs/dbraw/zinc/18/00/87/353180087.db2.gz NONBRMFHGKCLRP-RITPCOANSA-N 0 3 213.306 0.976 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cnn2c1CCCC2 ZINC000638979261 353186177 /nfs/dbraw/zinc/18/61/77/353186177.db2.gz YKHYBZZGSFBVMS-QMMMGPOBSA-N 0 3 222.292 0.766 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H](C)CCCO ZINC000087360038 535207476 /nfs/dbraw/zinc/20/74/76/535207476.db2.gz FGDAKZXVOZEFLV-RKDXNWHRSA-N 0 3 202.298 0.247 20 0 BCADHN C[C@H](N)C(=O)NCc1cccc2c1CCOC2 ZINC000638989267 353216962 /nfs/dbraw/zinc/21/69/62/353216962.db2.gz GIHKKUOGSJEHEM-VIFPVBQESA-N 0 3 234.299 0.723 20 0 BCADHN CCc1nc(C(=O)NC[C@H]2CCN(C)C2)no1 ZINC000331086964 353217089 /nfs/dbraw/zinc/21/70/89/353217089.db2.gz PWFISHRSVPONDP-MRVPVSSYSA-N 0 3 238.291 0.314 20 0 BCADHN CCN1CCN(C[C@@H](C)CNC(N)=O)CC1 ZINC000330907477 353198222 /nfs/dbraw/zinc/19/82/22/353198222.db2.gz CIURINABIQJYRL-JTQLQIEISA-N 0 3 228.340 0.342 20 0 BCADHN Cc1ccc(CNC(=O)CCOC2CNC2)o1 ZINC000638989477 353218650 /nfs/dbraw/zinc/21/86/50/353218650.db2.gz LTEWFQRKBRSYJX-UHFFFAOYSA-N 0 3 238.287 0.583 20 0 BCADHN Cc1ccc(C(=O)N[C@H]2CCCN(C)[C@H]2C)nn1 ZINC000412241534 191270031 /nfs/dbraw/zinc/27/00/31/191270031.db2.gz HYTSNXJPTNUIBT-QWRGUYRKSA-N 0 3 248.330 0.998 20 0 BCADHN C[C@@H](CC1CCC1)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638996300 353232253 /nfs/dbraw/zinc/23/22/53/353232253.db2.gz KWMKVPZUWMXNGZ-INTQDDNPSA-N 0 3 226.320 0.798 20 0 BCADHN CC(C)CC[C@H](O)CN[C@H]1C(=O)NCC[C@@H]1C ZINC000331271400 353233039 /nfs/dbraw/zinc/23/30/39/353233039.db2.gz NBVKHRYPPAFMLR-SDDRHHMPSA-N 0 3 242.363 0.898 20 0 BCADHN CCN1CCN(C(=O)[C@H]2C[C@H](C)CCN2)CC1 ZINC000126031051 353220922 /nfs/dbraw/zinc/22/09/22/353220922.db2.gz VPQTZPDFHFVTPX-VXGBXAGGSA-N 0 3 239.363 0.539 20 0 BCADHN CC1(F)CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638994039 353227971 /nfs/dbraw/zinc/22/79/71/353227971.db2.gz GBVMYVVUIGPTNF-DTWKUNHWSA-N 0 3 230.283 0.453 20 0 BCADHN NCC(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000639000241 353248370 /nfs/dbraw/zinc/24/83/70/353248370.db2.gz PUPHRKWVRHVLIN-KOLCDFICSA-N 0 3 212.293 0.409 20 0 BCADHN CCO[C@H]1C[C@H]1C(=O)NCC1=CCN(C)CC1 ZINC000343255793 353251658 /nfs/dbraw/zinc/25/16/58/353251658.db2.gz CTGSHFWJSFDDAU-NEPJUHHUSA-N 0 3 238.331 0.790 20 0 BCADHN CCN1CCC[C@@H](NC(=O)NCC[C@H](C)O)C1 ZINC000334036596 353258067 /nfs/dbraw/zinc/25/80/67/353258067.db2.gz CTYOWCONVGOMFZ-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN Cn1ncnc1CN[C@@H]1CCN(C2CC2)C1 ZINC000083970898 538112624 /nfs/dbraw/zinc/11/26/24/538112624.db2.gz JNHAETKURCBSIT-SECBINFHSA-N 0 3 221.308 0.141 20 0 BCADHN COCCN(CCO)C[C@H]1CC[C@H](C)O1 ZINC000188530520 353244681 /nfs/dbraw/zinc/24/46/81/353244681.db2.gz YUQLBZFKYGVTDS-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN CC1(NC(=O)CCOC2CNC2)CCOCC1 ZINC000639013644 353271065 /nfs/dbraw/zinc/27/10/65/353271065.db2.gz QAHRYKRPVWPCFQ-UHFFFAOYSA-N 0 3 242.319 0.050 20 0 BCADHN CN(Cc1ncc[nH]1)C(=O)C(N)C(F)(F)F ZINC000639017592 353271609 /nfs/dbraw/zinc/27/16/09/353271609.db2.gz WZQRWTWFKMYHPM-ZCFIWIBFSA-N 0 3 236.197 0.258 20 0 BCADHN NC(C(=O)NCCOCC1CC1)C(F)(F)F ZINC000352967908 188233480 /nfs/dbraw/zinc/23/34/80/188233480.db2.gz XAJBUJQHWMOALG-ZETCQYMHSA-N 0 3 240.225 0.419 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)CC(=O)NC1CC1 ZINC000036134673 188233930 /nfs/dbraw/zinc/23/39/30/188233930.db2.gz PORXNQYLUIRKEM-JTQLQIEISA-N 0 3 241.335 0.097 20 0 BCADHN CC(=O)NCc1ccc(NC(=O)C2(N)CC2)cc1 ZINC000353669697 188234711 /nfs/dbraw/zinc/23/47/11/188234711.db2.gz WRWGZJWJEVESLU-UHFFFAOYSA-N 0 3 247.298 0.753 20 0 BCADHN CC(C)CNC(=O)NCC1(O)CCN(C)CC1 ZINC000355107375 188236723 /nfs/dbraw/zinc/23/67/23/188236723.db2.gz YPORFHVRGJSIBH-UHFFFAOYSA-N 0 3 243.351 0.398 20 0 BCADHN CC(C)[C@H](O)C(=O)NC1(CN(C)C)CCC1 ZINC000355668269 188237837 /nfs/dbraw/zinc/23/78/37/188237837.db2.gz RCGVZKYOAGBFNH-JTQLQIEISA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)N(C)C[C@@H](C)NC(=O)C1CC(=O)C1 ZINC000356790682 188239008 /nfs/dbraw/zinc/23/90/08/188239008.db2.gz YPISODFXVMUXNR-SECBINFHSA-N 0 3 226.320 0.810 20 0 BCADHN Cc1cccc(NCCN[C@H](C)CC(N)=O)n1 ZINC000358409547 188240497 /nfs/dbraw/zinc/24/04/97/188240497.db2.gz WPVSHQVATFFMGM-SNVBAGLBSA-N 0 3 236.319 0.655 20 0 BCADHN CC(C)=CCNC(=O)NCCOCCN(C)C ZINC000359315553 188241169 /nfs/dbraw/zinc/24/11/69/188241169.db2.gz XLNIYUQHLMMOCX-UHFFFAOYSA-N 0 3 243.351 0.830 20 0 BCADHN CC(C)(O)CCN1CCSC[C@@H]1CCO ZINC000360438702 188242470 /nfs/dbraw/zinc/24/24/70/188242470.db2.gz SQADLQHYNXCMSC-JTQLQIEISA-N 0 3 233.377 0.947 20 0 BCADHN CCC[C@H](O)CN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000577861591 366087057 /nfs/dbraw/zinc/08/70/57/366087057.db2.gz GGUXTGGEODAHOC-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN CC1(C)CN(CCOCCO)[C@H]1[C@@H]1CCCO1 ZINC000368070306 188247227 /nfs/dbraw/zinc/24/72/27/188247227.db2.gz BXYYILKIISXKMK-RYUDHWBXSA-N 0 3 243.347 0.885 20 0 BCADHN O=C(NCCF)[C@H]1CCCN1C1CCOCC1 ZINC000370472246 188247478 /nfs/dbraw/zinc/24/74/78/188247478.db2.gz WHTLFFGNCIWZEC-LLVKDONJSA-N 0 3 244.310 0.716 20 0 BCADHN CC(C)[C@@H](O)CN1CCNC(=O)C[C@@H]1C ZINC000374087053 188249219 /nfs/dbraw/zinc/24/92/19/188249219.db2.gz AHCWXSMGZMBARS-UWVGGRQHSA-N 0 3 214.309 0.214 20 0 BCADHN C1=CO[C@H](CN2CCN3CCOC[C@@H]3C2)CC1 ZINC000375720372 188251274 /nfs/dbraw/zinc/25/12/74/188251274.db2.gz REGKGBFFPVZZGK-STQMWFEESA-N 0 3 238.331 0.696 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000300715441 188253616 /nfs/dbraw/zinc/25/36/16/188253616.db2.gz AZOJOJSISVHQMC-WOPDTQHZSA-N 0 3 242.363 0.898 20 0 BCADHN Cc1nn(C)cc1CNCC1(CO)CCC1 ZINC000184365027 188254292 /nfs/dbraw/zinc/25/42/92/188254292.db2.gz AVIWCIADQUIOLK-UHFFFAOYSA-N 0 3 223.320 0.981 20 0 BCADHN CC(C)C[C@H](C)N(C)C(=O)CN1CCNCC1 ZINC000037807386 188255570 /nfs/dbraw/zinc/25/55/70/188255570.db2.gz LXOQGWRMKIRRDS-LBPRGKRZSA-N 0 3 241.379 0.785 20 0 BCADHN CCN(CCNC(=O)[C@H]1CC[C@@H](O)C1)C1CC1 ZINC000343272535 353295288 /nfs/dbraw/zinc/29/52/88/353295288.db2.gz MXDJJXCMKIIGMK-CMPLNLGQSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)(C)NC(=O)CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252841417 353312292 /nfs/dbraw/zinc/31/22/92/353312292.db2.gz AMSIYPHDHRXKMB-GARJFASQSA-N 0 3 240.347 0.604 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)CC[C@@H](C)O ZINC000332515528 188276529 /nfs/dbraw/zinc/27/65/29/188276529.db2.gz ZPGWUFVHXPIEFC-PSASIEDQSA-N 0 3 203.282 0.029 20 0 BCADHN CC(=O)NCCNC(=O)C[C@H](N)c1ccccc1 ZINC000036746462 188282386 /nfs/dbraw/zinc/28/23/86/188282386.db2.gz WNEMMDOCGRKKSF-LBPRGKRZSA-N 0 3 249.314 0.329 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000036999431 188285782 /nfs/dbraw/zinc/28/57/82/188285782.db2.gz VVSQTLKZFHGHSI-QWRGUYRKSA-N 0 3 238.335 0.761 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCc1ncc[nH]1 ZINC000070646651 188287034 /nfs/dbraw/zinc/28/70/34/188287034.db2.gz CHQXBINMFKZZJP-QMMMGPOBSA-N 0 3 210.281 0.399 20 0 BCADHN OCCNCc1c[nH]nc1-c1cccnc1 ZINC000037250630 188287216 /nfs/dbraw/zinc/28/72/16/188287216.db2.gz RWLWMOSGBJTOKJ-UHFFFAOYSA-N 0 3 218.260 0.554 20 0 BCADHN CC(C)COC[C@H](O)CN[C@H](C)C(=O)N(C)C ZINC000042570516 188294123 /nfs/dbraw/zinc/29/41/23/188294123.db2.gz QCPCZWVNZPSSRV-GHMZBOCLSA-N 0 3 246.351 0.086 20 0 BCADHN Cc1nc(N)sc1C(=O)NC[C@H](C)N(C)C ZINC000055174415 188300235 /nfs/dbraw/zinc/30/02/35/188300235.db2.gz GSCYRILETWNKQK-LURJTMIESA-N 0 3 242.348 0.714 20 0 BCADHN CC(C)N(C)C(=O)C1CCN(CCCO)CC1 ZINC000051903384 188259174 /nfs/dbraw/zinc/25/91/74/188259174.db2.gz RVEUQZPCBLXVIU-UHFFFAOYSA-N 0 3 242.363 0.948 20 0 BCADHN NC1(C(=O)N2CCn3nccc32)CCC1 ZINC000639034451 353307031 /nfs/dbraw/zinc/30/70/31/353307031.db2.gz GCJGENSZTZUWER-UHFFFAOYSA-N 0 3 206.249 0.111 20 0 BCADHN COCC1CCN([C@H]2CCCNC2=O)CC1 ZINC000334501448 353336210 /nfs/dbraw/zinc/33/62/10/353336210.db2.gz XPEZPZCZXQBFES-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN CN1CCC(NC(=O)[C@](C)(O)C2CC2)CC1 ZINC000334501652 353336941 /nfs/dbraw/zinc/33/69/41/353336941.db2.gz AZAQVLNNQRNUIJ-GFCCVEGCSA-N 0 3 226.320 0.358 20 0 BCADHN CC(C)NC(=O)CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252884621 353312800 /nfs/dbraw/zinc/31/28/00/353312800.db2.gz WTHOGKZTTKOGFT-GARJFASQSA-N 0 3 226.320 0.214 20 0 BCADHN CN(CC(=O)NC1CC1)[C@H]1CCCC[C@H]1O ZINC000252889690 353313038 /nfs/dbraw/zinc/31/30/38/353313038.db2.gz FCHOHESBRNOBEW-WDEREUQCSA-N 0 3 226.320 0.500 20 0 BCADHN CCC1(O)CN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000412334193 191275546 /nfs/dbraw/zinc/27/55/46/191275546.db2.gz ZJPDIZCHQDWYIC-JTQLQIEISA-N 0 3 228.336 0.556 20 0 BCADHN C[C@H](C[C@H]1CCCC(=O)N1)NC1(C(N)=O)CC1 ZINC000639042078 353323971 /nfs/dbraw/zinc/32/39/71/353323971.db2.gz ASHCJIGAGFKSSU-RKDXNWHRSA-N 0 3 239.319 0.041 20 0 BCADHN C[C@H]1C[C@@H](NC2(C(N)=O)CC2)CS1 ZINC000639042301 353324017 /nfs/dbraw/zinc/32/40/17/353324017.db2.gz DVMZRBGTJBJINJ-NKWVEPMBSA-N 0 3 200.307 0.488 20 0 BCADHN CC1(C)C[C@H](NC2(C(N)=O)CC2)CCO1 ZINC000639042759 353325854 /nfs/dbraw/zinc/32/58/54/353325854.db2.gz JLGZBBRDAYFZRA-MRVPVSSYSA-N 0 3 212.293 0.552 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCN2C(=O)CC[C@H]2C1 ZINC000310174684 188328454 /nfs/dbraw/zinc/32/84/54/188328454.db2.gz QVISUWLEFJHGNN-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN Cc1nn(C)cc1CNC[C@@]1(O)CCSC1 ZINC000126279142 188330245 /nfs/dbraw/zinc/33/02/45/188330245.db2.gz KDHMGKFSKXZCNV-NSHDSACASA-N 0 3 241.360 0.686 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CCCCO2)[C@@H](C)CN1 ZINC000226116711 188330498 /nfs/dbraw/zinc/33/04/98/188330498.db2.gz BBZSZLYHXXYLIK-OUAUKWLOSA-N 0 3 226.320 0.764 20 0 BCADHN Cc1nn(C)cc1CNCCN1CCCC1 ZINC000125933534 188330558 /nfs/dbraw/zinc/33/05/58/188330558.db2.gz KUXJRAGIAVOLIR-UHFFFAOYSA-N 0 3 222.336 0.914 20 0 BCADHN CC1(C)C[C@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000226351470 188331180 /nfs/dbraw/zinc/33/11/80/188331180.db2.gz VIRUXBRQQYFYPY-UWVGGRQHSA-N 0 3 226.320 0.527 20 0 BCADHN Cc1cnc(CNC[C@@]2(O)CCN(C)C2)o1 ZINC000639049500 353344254 /nfs/dbraw/zinc/34/42/54/353344254.db2.gz STQSLRMLIMUFEC-NSHDSACASA-N 0 3 225.292 0.139 20 0 BCADHN CCN(CCO)CCNCc1ccns1 ZINC000639054344 353353097 /nfs/dbraw/zinc/35/30/97/353353097.db2.gz OSABRQKQSRGKNO-UHFFFAOYSA-N 0 3 229.349 0.547 20 0 BCADHN C[C@@H]1CN(Cc2ccc(=O)[nH]c2)CC[C@@H]1O ZINC000639073652 353391183 /nfs/dbraw/zinc/39/11/83/353391183.db2.gz GYOURXRRJZPRFS-KOLCDFICSA-N 0 3 222.288 0.990 20 0 BCADHN Cc1ccc(CNC[C@](C)(O)CO)s1 ZINC000085251435 538116202 /nfs/dbraw/zinc/11/62/02/538116202.db2.gz WBJNABZLFXMJAC-JTQLQIEISA-N 0 3 215.318 0.889 20 0 BCADHN CCc1ncc(CNC[C@H](O)CO)s1 ZINC000085246304 538116249 /nfs/dbraw/zinc/11/62/49/538116249.db2.gz OAALSQLDHFWVAE-ZETCQYMHSA-N 0 3 216.306 0.148 20 0 BCADHN CC(C)[C@H](CO)CNCc1cnnn1C ZINC000308990155 188342409 /nfs/dbraw/zinc/34/24/09/188342409.db2.gz KYGDPTYNRKCCAR-VIFPVBQESA-N 0 3 212.297 0.169 20 0 BCADHN NC(C(=O)NCC(F)F)C(F)(F)F ZINC000336703238 188342526 /nfs/dbraw/zinc/34/25/26/188342526.db2.gz ZHYKQPGSORCRHA-VKHMYHEASA-N 0 3 206.114 0.257 20 0 BCADHN CC[C@](C)(CN1CCN2CCOC[C@H]2C1)OC ZINC000639062100 353371261 /nfs/dbraw/zinc/37/12/61/353371261.db2.gz QPWFETZFRKFEOS-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN Cc1n[nH]cc1CNC1(CC(N)=O)CCC1 ZINC000309854475 188346165 /nfs/dbraw/zinc/34/61/65/188346165.db2.gz JXVAEKWLFQTFJH-UHFFFAOYSA-N 0 3 222.292 0.606 20 0 BCADHN Cc1nn(C)cc1CNCC1([S@](C)=O)CC1 ZINC000309873104 188346397 /nfs/dbraw/zinc/34/63/97/188346397.db2.gz RKUPSDUTLIFOIW-INIZCTEOSA-N 0 3 241.360 0.729 20 0 BCADHN CCC[C@H](CCO)CNCc1cnnn1C ZINC000165508661 353379261 /nfs/dbraw/zinc/37/92/61/353379261.db2.gz XTPSWDABMXYKDH-SNVBAGLBSA-N 0 3 226.324 0.703 20 0 BCADHN C[C@@H](N[C@@H]1CS[C@H](C)C1)C(=O)N(C)C ZINC000252214563 363220506 /nfs/dbraw/zinc/22/05/06/363220506.db2.gz YXFHOMBMMSNLIJ-HLTSFMKQSA-N 0 3 216.350 0.947 20 0 BCADHN CC(C)[C@@H](O)CN1CCN2C(=O)CC[C@H]2C1 ZINC000300906863 188349266 /nfs/dbraw/zinc/34/92/66/188349266.db2.gz RAZDLDRYYJJAMN-QWRGUYRKSA-N 0 3 226.320 0.310 20 0 BCADHN CC(=O)NCCCN[C@H](C)c1ccnn1C ZINC000192631246 188351382 /nfs/dbraw/zinc/35/13/82/188351382.db2.gz JIYIGQNVKWEINZ-SECBINFHSA-N 0 3 224.308 0.597 20 0 BCADHN Cc1cc(C(=O)N2CCN3CCC2CC3)n[nH]1 ZINC000059279202 353385673 /nfs/dbraw/zinc/38/56/73/353385673.db2.gz ZWTCZTCYOGXVOC-UHFFFAOYSA-N 0 3 234.303 0.638 20 0 BCADHN CC(C)CCCN(C)CC(=O)N1CCNCC1 ZINC000165539136 353387508 /nfs/dbraw/zinc/38/75/08/353387508.db2.gz WMHQAGAGZBHHMR-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN CC(C)C[C@H](CCO)CNC(=O)[C@H](C)N ZINC000121674340 188355282 /nfs/dbraw/zinc/35/52/82/188355282.db2.gz QKOGIMLKJSWYHQ-UWVGGRQHSA-N 0 3 216.325 0.495 20 0 BCADHN C/C=C(\C)C(=O)NCC1(O)CCN(C)CC1 ZINC000267647270 188373015 /nfs/dbraw/zinc/37/30/15/188373015.db2.gz IDQFIHLHESAELQ-ONNFQVAWSA-N 0 3 226.320 0.526 20 0 BCADHN CC(C)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000336643158 188358467 /nfs/dbraw/zinc/35/84/67/188358467.db2.gz FLWXSJLNEUNRON-SECBINFHSA-N 0 3 205.323 0.761 20 0 BCADHN CCOC(=O)[C@@H](CC)C(=O)N[C@@H](C)CN(C)C ZINC000412343239 191278039 /nfs/dbraw/zinc/27/80/39/191278039.db2.gz HTAODRIWURSZNK-UWVGGRQHSA-N 0 3 244.335 0.642 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000353787707 353401535 /nfs/dbraw/zinc/40/15/35/353401535.db2.gz AXHULVJPTVILMK-USWWRNFRSA-N 0 3 240.347 0.602 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)N[C@@H](C)CO ZINC000091219594 353404984 /nfs/dbraw/zinc/40/49/84/353404984.db2.gz QZGLYWJLTJZOIZ-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCCN1C1CC1)N(C)C ZINC000412392875 191278777 /nfs/dbraw/zinc/27/87/77/191278777.db2.gz FTXRHBWFWJKGSB-CMPLNLGQSA-N 0 3 239.363 0.680 20 0 BCADHN CC1(C)CN(C(=O)C[C@@H]2CNCCO2)CCO1 ZINC000091299560 353405749 /nfs/dbraw/zinc/40/57/49/353405749.db2.gz VHGXWSPDHWHWRI-SNVBAGLBSA-N 0 3 242.319 0.002 20 0 BCADHN CC[C@@H](O)CN1CCC[C@H](n2ccnn2)C1 ZINC000425519687 353411038 /nfs/dbraw/zinc/41/10/38/353411038.db2.gz XGVBLHGPPFTWIL-WDEREUQCSA-N 0 3 224.308 0.686 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@@H](O)C(C)C)N(C)C ZINC000339263372 188368973 /nfs/dbraw/zinc/36/89/73/188368973.db2.gz GURODOSWUAWJAB-GHMZBOCLSA-N 0 3 230.352 0.706 20 0 BCADHN Cc1ncncc1C(=O)N(C)C[C@H]1CCN(C)C1 ZINC000264227338 188371166 /nfs/dbraw/zinc/37/11/66/188371166.db2.gz XDEZPJDDQVVJOK-NSHDSACASA-N 0 3 248.330 0.809 20 0 BCADHN CSC[C@@H](C)NC(=O)/C=C/CN(C)C ZINC000265687812 188371832 /nfs/dbraw/zinc/37/18/32/188371832.db2.gz MCEFDYFCXFWXRK-VUHVRTRXSA-N 0 3 216.350 0.972 20 0 BCADHN CNS(=O)(=O)CCN[C@@H](C)[C@H]1CC1(F)F ZINC000639088633 353442056 /nfs/dbraw/zinc/44/20/56/353442056.db2.gz YTYXIYBUICOADQ-NKWVEPMBSA-N 0 3 242.291 0.169 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CC1(F)F)N(C)C ZINC000412394027 191280004 /nfs/dbraw/zinc/28/00/04/191280004.db2.gz KZUIKDKHPSHPQW-NKWVEPMBSA-N 0 3 206.236 0.708 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)c1cn[nH]c1 ZINC000270471953 188376310 /nfs/dbraw/zinc/37/63/10/188376310.db2.gz NIKZNZZRRDQGCM-SECBINFHSA-N 0 3 224.308 0.927 20 0 BCADHN CC(C)C1(CN2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000639091219 353452231 /nfs/dbraw/zinc/45/22/31/353452231.db2.gz RNCHSWANOPVWMC-JTQLQIEISA-N 0 3 246.376 0.785 20 0 BCADHN CCC[C@H](CN1CCN(CCO)[C@H](C)C1)OC ZINC000639092044 353454580 /nfs/dbraw/zinc/45/45/80/353454580.db2.gz NANVZVAHKCCKQY-CHWSQXEVSA-N 0 3 244.379 0.800 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cncn2C)CN1C1CC1 ZINC000278399905 188381367 /nfs/dbraw/zinc/38/13/67/188381367.db2.gz ONACHUDDNPPBGQ-NXEZZACHSA-N 0 3 248.330 0.775 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)N(C)C ZINC000412394135 191279580 /nfs/dbraw/zinc/27/95/80/191279580.db2.gz LYSSHHMOCLBBDU-MMWGEVLESA-N 0 3 238.331 0.668 20 0 BCADHN CC(C)C[C@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000122141653 188397159 /nfs/dbraw/zinc/39/71/59/188397159.db2.gz HXXIDCTXVYFHMJ-DTWKUNHWSA-N 0 3 235.349 0.970 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000040467847 188397485 /nfs/dbraw/zinc/39/74/85/188397485.db2.gz PXOREVCROWYVFH-GHMZBOCLSA-N 0 3 239.363 0.666 20 0 BCADHN COC[C@H](O)CCNCc1cccc(OC)n1 ZINC000191524567 353488220 /nfs/dbraw/zinc/48/82/20/353488220.db2.gz NRQDESCEFVJJSA-LLVKDONJSA-N 0 3 240.303 0.577 20 0 BCADHN CC(=O)CSCC(=O)NC[C@@H](C)CN(C)C ZINC000341323734 188398389 /nfs/dbraw/zinc/39/83/89/188398389.db2.gz QJPILTAVUHBMIR-SECBINFHSA-N 0 3 246.376 0.623 20 0 BCADHN Nc1ncc(CN2CC[C@H]3CCC[C@@H]32)c(N)n1 ZINC000639096846 353495211 /nfs/dbraw/zinc/49/52/11/353495211.db2.gz YUHBVQJPHWHLNB-SCZZXKLOSA-N 0 3 233.319 0.676 20 0 BCADHN C/C=C/CNC(=O)NCCNCCOC ZINC000627082923 363232924 /nfs/dbraw/zinc/23/29/24/363232924.db2.gz NVKKZHZGYBVJOD-ONEGZZNKSA-N 0 3 215.297 0.098 20 0 BCADHN CNCC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000193134161 353575641 /nfs/dbraw/zinc/57/56/41/353575641.db2.gz BKVBKLDCIDIMPB-JTQLQIEISA-N 0 3 226.320 0.814 20 0 BCADHN CO[C@H](CN)C(=O)NCCC(C)(C)C ZINC000227408128 363235955 /nfs/dbraw/zinc/23/59/55/363235955.db2.gz KYKAIGRCMRAXGL-MRVPVSSYSA-N 0 3 202.298 0.513 20 0 BCADHN CCCN(CCO)C(=O)NC1CCN(C)CC1 ZINC000193140750 353580940 /nfs/dbraw/zinc/58/09/40/353580940.db2.gz CCCZDTCWUFACMU-UHFFFAOYSA-N 0 3 243.351 0.495 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)[C@@H](N)CC(C)C ZINC000037823505 358479172 /nfs/dbraw/zinc/47/91/72/358479172.db2.gz ZYEITQHTNVVJDX-ZJUUUORDSA-N 0 3 244.335 0.627 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C(=O)[C@H](N)CC(C)C ZINC000037823508 358479186 /nfs/dbraw/zinc/47/91/86/358479186.db2.gz ZYEITQHTNVVJDX-VHSXEESVSA-N 0 3 244.335 0.627 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N(C)Cc1nccn1C ZINC000037823000 358479196 /nfs/dbraw/zinc/47/91/96/358479196.db2.gz UWYPCUNNBAHPFS-MWLCHTKSSA-N 0 3 238.335 0.752 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1nccn1C ZINC000037822998 358479204 /nfs/dbraw/zinc/47/92/04/358479204.db2.gz UWYPCUNNBAHPFS-KOLCDFICSA-N 0 3 238.335 0.752 20 0 BCADHN CC[NH+](CC)[C@@H](C)CNC(=O)c1c[n-]nn1 ZINC000193478154 353594561 /nfs/dbraw/zinc/59/45/61/353594561.db2.gz WMLLILPMTURLRB-QMMMGPOBSA-N 0 3 225.296 0.265 20 0 BCADHN CC[NH+](CC)[C@@H](C)CNC(=O)c1cnn[n-]1 ZINC000193478154 353594564 /nfs/dbraw/zinc/59/45/64/353594564.db2.gz WMLLILPMTURLRB-QMMMGPOBSA-N 0 3 225.296 0.265 20 0 BCADHN CC[NH+](CC)[C@@H](C)CNC(=O)c1cn[n-]n1 ZINC000193478154 353594566 /nfs/dbraw/zinc/59/45/66/353594566.db2.gz WMLLILPMTURLRB-QMMMGPOBSA-N 0 3 225.296 0.265 20 0 BCADHN O=C(c1ccc(=O)[nH]c1)N1CCN2CCC[C@@H]2C1 ZINC000037841493 358479299 /nfs/dbraw/zinc/47/92/99/358479299.db2.gz LYMHGJXWVHBGMF-LLVKDONJSA-N 0 3 247.298 0.295 20 0 BCADHN CCCC(=O)N[C@@H]1CCCN(C[C@@H](C)O)C1 ZINC000192706730 353563934 /nfs/dbraw/zinc/56/39/34/353563934.db2.gz XBHADQIMHPZHPG-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN Cc1cc(C)n([C@H](C)C(=O)NCCN(C)C)n1 ZINC000194192898 353629305 /nfs/dbraw/zinc/62/93/05/353629305.db2.gz CBBOWWZBJKHYPD-LLVKDONJSA-N 0 3 238.335 0.739 20 0 BCADHN C=Cn1cc(CNCCNC(=O)C2CC2)cn1 ZINC000194355526 353646119 /nfs/dbraw/zinc/64/61/19/353646119.db2.gz YQKFYUPCDRJZDR-UHFFFAOYSA-N 0 3 234.303 0.599 20 0 BCADHN CN(C(=O)C12CCCN1CCC2)[C@@H]1CCOC1 ZINC000334515419 353609802 /nfs/dbraw/zinc/60/98/02/353609802.db2.gz RYIOWJJHZQFSAX-LLVKDONJSA-N 0 3 238.331 0.862 20 0 BCADHN COc1cc(C[C@H](C)N[C@H](C)C(N)=O)ccn1 ZINC000639109350 353660741 /nfs/dbraw/zinc/66/07/41/353660741.db2.gz XLMVYCSVEYQTLH-DTWKUNHWSA-N 0 3 237.303 0.485 20 0 BCADHN C[C@H](O)CCNC(=O)C12CCCN1CCC2 ZINC000366820214 353670195 /nfs/dbraw/zinc/67/01/95/353670195.db2.gz GRBMWGHPLCOCGR-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN C[C@]1(O)CCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343319368 353673214 /nfs/dbraw/zinc/67/32/14/353673214.db2.gz ZUMYSWPGYXQAFU-XQQFMLRXSA-N 0 3 240.347 0.306 20 0 BCADHN C[C@H](CO)CNC(=O)C1CCN(C2CC2)CC1 ZINC000194758724 353694096 /nfs/dbraw/zinc/69/40/96/353694096.db2.gz GQSKYTSYGYJSSR-JTQLQIEISA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H](C(=O)N1CC[C@H](N(C)C)C1)N1CC(C)C1 ZINC000565181348 324205736 /nfs/dbraw/zinc/20/57/36/324205736.db2.gz NQUXQZZYWDSTCN-NEPJUHHUSA-N 0 3 239.363 0.489 20 0 BCADHN CN(CCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCOC1 ZINC000343324265 353705324 /nfs/dbraw/zinc/70/53/24/353705324.db2.gz WJEFHZSIIAZWKQ-RWMBFGLXSA-N 0 3 240.347 0.570 20 0 BCADHN CCN1CCC(CNS(=O)(=O)C2CC2)CC1 ZINC000577929862 366106333 /nfs/dbraw/zinc/10/63/33/366106333.db2.gz FTSJHOVTMPSZKV-UHFFFAOYSA-N 0 3 246.376 0.800 20 0 BCADHN CN(C[C@H]1CCCOC1)[C@@H]1CCNC1=O ZINC000178303737 366110563 /nfs/dbraw/zinc/11/05/63/366110563.db2.gz SBTHIWKCXWXQOQ-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN Nc1ncc(CNCC2(C(F)F)CC2)c(N)n1 ZINC000639117260 353740749 /nfs/dbraw/zinc/74/07/49/353740749.db2.gz FDJZYNFUBVQSBG-UHFFFAOYSA-N 0 3 243.261 0.437 20 0 BCADHN C[C@H](N[C@@H]1CCN(C)[C@@H](C)C1)c1ncn(C)n1 ZINC000391858782 353784726 /nfs/dbraw/zinc/78/47/26/353784726.db2.gz VBCOKVSUQIPRTE-GARJFASQSA-N 0 3 237.351 0.948 20 0 BCADHN COC[C@H](CO)N[C@H](C)[C@H]1CC1(F)F ZINC000639125686 353822297 /nfs/dbraw/zinc/82/22/97/353822297.db2.gz ZMJIXWZLHABNRJ-GJMOJQLCSA-N 0 3 209.236 0.627 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)CC(=O)NC ZINC000185872747 353859397 /nfs/dbraw/zinc/85/93/97/353859397.db2.gz JOIHOZFVAIETIX-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN Cc1ncncc1C(=O)N(C)CCN1CCCC1 ZINC000343459361 353896156 /nfs/dbraw/zinc/89/61/56/353896156.db2.gz FHDNBSQTELPYLJ-UHFFFAOYSA-N 0 3 248.330 0.953 20 0 BCADHN CC[C@@H](NC(=O)[C@H](N)CCC(=O)OC)C(C)C ZINC000343412592 353879612 /nfs/dbraw/zinc/87/96/12/353879612.db2.gz GRPBEKZKOZZIOY-NXEZZACHSA-N 0 3 244.335 0.818 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NCCC1CC1 ZINC000343417423 353880089 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/nfs/dbraw/zinc/98/90/90/353989090.db2.gz AAKGQUZFQQEAOS-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](CO)CC1CC1 ZINC000619043956 363281399 /nfs/dbraw/zinc/28/13/99/363281399.db2.gz NUWNLNDERSWITE-GFCCVEGCSA-N 0 3 242.363 0.853 20 0 BCADHN Cc1ncc([C@@H](C)N(C)CCC(N)=O)c(C)n1 ZINC000639165772 353997650 /nfs/dbraw/zinc/99/76/50/353997650.db2.gz SDKLTHSWKVBSDM-SECBINFHSA-N 0 3 236.319 0.962 20 0 BCADHN Cc1nccn1CCN1CCSC[C@H]1CO ZINC000343719498 353957725 /nfs/dbraw/zinc/95/77/25/353957725.db2.gz DPQYSBUFHVUDOK-LLVKDONJSA-N 0 3 241.360 0.601 20 0 BCADHN O=C(N[C@@H]1CC=CCC1)[C@H]1CN2CCN1CCC2 ZINC000343686625 353963631 /nfs/dbraw/zinc/96/36/31/353963631.db2.gz NLVUYPCDUAGBOL-CHWSQXEVSA-N 0 3 249.358 0.601 20 0 BCADHN CNC(=O)c1cccnc1N[C@H](C)CN(C)C ZINC000343794260 353998694 /nfs/dbraw/zinc/99/86/94/353998694.db2.gz PGBUJIIMHFACGU-SECBINFHSA-N 0 3 236.319 0.803 20 0 BCADHN CCOCCN(CC)CCN1CCNC1=O ZINC000343803096 354007607 /nfs/dbraw/zinc/00/76/07/354007607.db2.gz VZMDSRRNQMNZBQ-UHFFFAOYSA-N 0 3 229.324 0.370 20 0 BCADHN C[C@H]1NC(=O)N(CCN2CCC23CCC3)C1=O ZINC000334559022 354008404 /nfs/dbraw/zinc/00/84/04/354008404.db2.gz IRJMISMEVXABKY-SECBINFHSA-N 0 3 237.303 0.555 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC12CCC2 ZINC000343806866 354010192 /nfs/dbraw/zinc/01/01/92/354010192.db2.gz FZYMDCWXQIGORD-JTQLQIEISA-N 0 3 213.277 0.539 20 0 BCADHN Cc1cncc([C@@H](C)NC[C@H](O)CN(C)C)c1 ZINC000343842809 354019910 /nfs/dbraw/zinc/01/99/10/354019910.db2.gz VLQROPQFQFKNOR-YPMHNXCESA-N 0 3 237.347 0.963 20 0 BCADHN C[C@@H]1CCN(C[C@H](O)C(C)(C)C)[C@@H](C(N)=O)C1 ZINC000343876127 354030059 /nfs/dbraw/zinc/03/00/59/354030059.db2.gz YTMVGNISDTWWDS-MXWKQRLJSA-N 0 3 242.363 0.979 20 0 BCADHN COC(=O)C[C@H](C)C(=O)NCCN(C)C1CC1 ZINC000343956625 354072377 /nfs/dbraw/zinc/07/23/77/354072377.db2.gz UPGBAKNMFRDDRV-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN COC(=O)C[C@@H](C)C(=O)NCCN(C)C1CC1 ZINC000343956623 354072776 /nfs/dbraw/zinc/07/27/76/354072776.db2.gz UPGBAKNMFRDDRV-SECBINFHSA-N 0 3 242.319 0.396 20 0 BCADHN CCOC1CC(N(C)C[C@](C)(O)C(=O)OC)C1 ZINC000343959633 354073222 /nfs/dbraw/zinc/07/32/22/354073222.db2.gz KFECUVNUWYDIMF-CBINBANVSA-N 0 3 245.319 0.410 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@](C)(O)CC1 ZINC000230375066 363305563 /nfs/dbraw/zinc/30/55/63/363305563.db2.gz NXZNLFQXNZUSKY-GXSJLCMTSA-N 0 3 214.309 0.487 20 0 BCADHN CCNC(=O)CN1CCSC[C@H](C)C1 ZINC000334563227 354079045 /nfs/dbraw/zinc/07/90/45/354079045.db2.gz SOGWGZWIOSNRNA-SECBINFHSA-N 0 3 216.350 0.807 20 0 BCADHN COCC[C@H](CO)NC(=O)[C@@H](C(C)C)N(C)C ZINC000343935156 354046660 /nfs/dbraw/zinc/04/66/60/354046660.db2.gz XOLHQRARUZAKCO-GHMZBOCLSA-N 0 3 246.351 0.086 20 0 BCADHN COC1CC(N[C@H](C)CS(C)(=O)=O)C1 ZINC000230674931 363320315 /nfs/dbraw/zinc/32/03/15/363320315.db2.gz AFGUCWMYMVUHEG-AFPNSQJFSA-N 0 3 221.322 0.187 20 0 BCADHN CNC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000344081102 354135059 /nfs/dbraw/zinc/13/50/59/354135059.db2.gz HWWONLNXQOENGS-WCQGTBRESA-N 0 3 238.331 0.670 20 0 BCADHN CC(C)N1CCCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000334569156 354093935 /nfs/dbraw/zinc/09/39/35/354093935.db2.gz GKGVJDYEJMVDNJ-LBPRGKRZSA-N 0 3 241.379 0.879 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H](O)C1(C)C)N(C)C ZINC000334576770 354109878 /nfs/dbraw/zinc/10/98/78/354109878.db2.gz HURPDJJLGYTYGI-ZJUUUORDSA-N 0 3 228.336 0.698 20 0 BCADHN O=C(C[C@@H]1CCCO1)N[C@@H]1CNCCC1(F)F ZINC000334577074 354110574 /nfs/dbraw/zinc/11/05/74/354110574.db2.gz CUKCRUMDHYKLAE-DTWKUNHWSA-N 0 3 248.273 0.669 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CNCCC2(F)F)on1 ZINC000334577135 354110708 /nfs/dbraw/zinc/11/07/08/354110708.db2.gz DKMWJULPLHGWNF-QMMMGPOBSA-N 0 3 245.229 0.710 20 0 BCADHN C[C@H]1NC(=O)N(CCN2CCCCCC2)C1=O ZINC000334562678 354118718 /nfs/dbraw/zinc/11/87/18/354118718.db2.gz PAUSALGIAVFJJV-SNVBAGLBSA-N 0 3 239.319 0.803 20 0 BCADHN CC(C)[C@H](CCO)NCC(=O)NC1CC1 ZINC000231040786 363336562 /nfs/dbraw/zinc/33/65/62/363336562.db2.gz XAIZKEBMCDQDNR-JTQLQIEISA-N 0 3 214.309 0.262 20 0 BCADHN C[C@@H]1CCCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000344112427 354140558 /nfs/dbraw/zinc/14/05/58/354140558.db2.gz LLXVTXPCQVONAA-NEPJUHHUSA-N 0 3 237.347 0.387 20 0 BCADHN COCCN(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000344183342 354177132 /nfs/dbraw/zinc/17/71/32/354177132.db2.gz ICVKKFSTJDLXRN-PHIMTYICSA-N 0 3 228.336 0.964 20 0 BCADHN CN1CCC(NC(=O)[C@@H]2CC[C@H](O)C2)CC1 ZINC000344133590 354149851 /nfs/dbraw/zinc/14/98/51/354149851.db2.gz VFQDDNNVUJVRRG-KOLCDFICSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@H]1C[C@@H](CO)CCN1CCn1cccn1 ZINC000344139334 354151275 /nfs/dbraw/zinc/15/12/75/354151275.db2.gz LJMGSGYMMSMFTC-NEPJUHHUSA-N 0 3 223.320 0.976 20 0 BCADHN COC(=O)CCN1CC[C@H](CO)C[C@@H]1C ZINC000344143373 354152754 /nfs/dbraw/zinc/15/27/54/354152754.db2.gz BKFBBUJHLRGJMY-UWVGGRQHSA-N 0 3 215.293 0.642 20 0 BCADHN O=C([C@H]1CN2CCN1CCC2)N1CCC12CCC2 ZINC000344154498 354156692 /nfs/dbraw/zinc/15/66/92/354156692.db2.gz WQGQHZRCXLCHPT-GFCCVEGCSA-N 0 3 249.358 0.531 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](C)CO ZINC000344153089 354157005 /nfs/dbraw/zinc/15/70/05/354157005.db2.gz QPBPHSLWUFKHAF-VIFPVBQESA-N 0 3 202.298 0.073 20 0 BCADHN C[C@H]1C[C@@H](CO)CCN1CCN1CCNC1=O ZINC000344155110 354157082 /nfs/dbraw/zinc/15/70/82/354157082.db2.gz JSIYELWHQZOHQX-QWRGUYRKSA-N 0 3 241.335 0.104 20 0 BCADHN COC[C@H](O)CN(C)CCc1ccccc1O ZINC000344155921 354157996 /nfs/dbraw/zinc/15/79/96/354157996.db2.gz AIURZNQZIPGQGX-GFCCVEGCSA-N 0 3 239.315 0.874 20 0 BCADHN OC[C@@H]1CC[C@H](CNCc2ccc(F)cn2)O1 ZINC000529582705 324351455 /nfs/dbraw/zinc/35/14/55/324351455.db2.gz CWISLJPQLAFKMH-NEPJUHHUSA-N 0 3 240.278 0.850 20 0 BCADHN COCCN(C)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000344228153 354184275 /nfs/dbraw/zinc/18/42/75/354184275.db2.gz BSCMTEZKWBUSJX-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H](CNC(=O)COC[C@H]1CCOC1)N(C)C ZINC000344295757 354209813 /nfs/dbraw/zinc/20/98/13/354209813.db2.gz MSZYVYWGFYCDLU-QWRGUYRKSA-N 0 3 244.335 0.106 20 0 BCADHN CC[C@H](C(=O)N1CCO[C@@H](CF)C1)N(C)C ZINC000412543453 191296774 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CC[C@]1(O)CCN([C@H]2CCN(C)C2=O)C1 ZINC000334702524 354495842 /nfs/dbraw/zinc/49/58/42/354495842.db2.gz RIWATZVDUYQAOL-ONGXEEELSA-N 0 3 212.293 0.064 20 0 BCADHN CC[C@@]1(O)CCN([C@@H]2CCN(C)C2=O)C1 ZINC000334702520 354495863 /nfs/dbraw/zinc/49/58/63/354495863.db2.gz RIWATZVDUYQAOL-MWLCHTKSSA-N 0 3 212.293 0.064 20 0 BCADHN OCCN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000334805491 354562023 /nfs/dbraw/zinc/56/20/23/354562023.db2.gz FHZPLWDLZYPPLQ-NWDGAFQWSA-N 0 3 207.273 0.787 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC000334810424 354567135 /nfs/dbraw/zinc/56/71/35/354567135.db2.gz XMRBUFMZAAZHCG-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CC(=O)C1(C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000334814680 354572308 /nfs/dbraw/zinc/57/23/08/354572308.db2.gz SYPAOZXJSOFJDM-LLVKDONJSA-N 0 3 238.331 0.908 20 0 BCADHN Cc1cn[nH]c1CN1CC[C@H](C)[C@@H](O)C1 ZINC000334758621 354579836 /nfs/dbraw/zinc/57/98/36/354579836.db2.gz NUGBZKXXULVLKZ-KWQFWETISA-N 0 3 209.293 0.921 20 0 BCADHN 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ZINC000345326330 354611761 /nfs/dbraw/zinc/61/17/61/354611761.db2.gz SQAHYCFZXKIIOM-GRYCIOLGSA-N 0 3 241.379 0.926 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2cn[nH]c2)CCCN1C ZINC000345276468 354613579 /nfs/dbraw/zinc/61/35/79/354613579.db2.gz BUKODMKMVNDVRY-WCBMZHEXSA-N 0 3 222.292 0.622 20 0 BCADHN C[C@@H](CNC(=O)Cc1ccoc1)N(C)C ZINC000345336598 354614581 /nfs/dbraw/zinc/61/45/81/354614581.db2.gz PXAVVXKFSSRHQS-VIFPVBQESA-N 0 3 210.277 0.888 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N(C)CCN(C)C)CCO1 ZINC000345279680 354614769 /nfs/dbraw/zinc/61/47/69/354614769.db2.gz FRSUTJGAUOFKDS-GHMZBOCLSA-N 0 3 228.336 0.822 20 0 BCADHN C[C@H]1CN(C)CCN1CC1=CCCOC1 ZINC000335089534 354624784 /nfs/dbraw/zinc/62/47/84/354624784.db2.gz GUDDYWUXMLSABQ-NSHDSACASA-N 0 3 210.321 0.969 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@](F)(CO)C1)N(C)C ZINC000345679860 354730965 /nfs/dbraw/zinc/73/09/65/354730965.db2.gz KLRLCMHAQFJVEX-PWSUYJOCSA-N 0 3 246.326 0.650 20 0 BCADHN CC(C)N1CC[C@@H](N(C)C(=O)[C@H](C)O)C1 ZINC000335103964 354687906 /nfs/dbraw/zinc/68/79/06/354687906.db2.gz GJRXIZPXXMQERJ-VHSXEESVSA-N 0 3 214.309 0.308 20 0 BCADHN O=C(N[C@@H]1CCC[C@H]1O)C12CCCN1CCC2 ZINC000335115485 354705069 /nfs/dbraw/zinc/70/50/69/354705069.db2.gz HHVKYTXHFCEVSY-GHMZBOCLSA-N 0 3 238.331 0.644 20 0 BCADHN CCCCN(C)CCNC(=O)Cc1cc[nH]n1 ZINC000345629100 354718715 /nfs/dbraw/zinc/71/87/15/354718715.db2.gz MRPBQVWWIGOGTJ-UHFFFAOYSA-N 0 3 238.335 0.800 20 0 BCADHN C[C@H](F)CCNCc1cnc(N)nc1N ZINC000639210111 354733685 /nfs/dbraw/zinc/73/36/85/354733685.db2.gz HMQCUXFNIQTLMN-LURJTMIESA-N 0 3 213.260 0.139 20 0 BCADHN Cc1[nH]cnc1CC(=O)NCc1cccnc1 ZINC000345637847 354720758 /nfs/dbraw/zinc/72/07/58/354720758.db2.gz HGAHBBMXFMYUML-UHFFFAOYSA-N 0 3 230.271 0.972 20 0 BCADHN C[C@H](O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000345601484 354727295 /nfs/dbraw/zinc/72/72/95/354727295.db2.gz NUTPNONZNVPRCE-DCAQKATOSA-N 0 3 228.336 0.746 20 0 BCADHN CCOCC(=O)NCCCN(C)CCOC ZINC000345757569 354753009 /nfs/dbraw/zinc/75/30/09/354753009.db2.gz FSCHXCXMQKABTQ-UHFFFAOYSA-N 0 3 232.324 0.107 20 0 BCADHN CC[C@H](C(=O)NCC[C@@H]1CCOC1)N(C)C ZINC000345709105 354755897 /nfs/dbraw/zinc/75/58/97/354755897.db2.gz GXFFNZCJAYRUPZ-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)OC(=O)CCN1C[C@@H](C)[C@@H](O)C1 ZINC000351952294 134016585 /nfs/dbraw/zinc/01/65/85/134016585.db2.gz SPRJUMFXOTYJFL-ZJUUUORDSA-N 0 3 215.293 0.641 20 0 BCADHN CCOCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000335123372 354763913 /nfs/dbraw/zinc/76/39/13/354763913.db2.gz SHDMIYCJVHIDDK-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)O ZINC000345761946 354778045 /nfs/dbraw/zinc/77/80/45/354778045.db2.gz UJYFUVRADWKDMZ-MXWKQRLJSA-N 0 3 226.320 0.452 20 0 BCADHN CCN(CC)S(=O)(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000379455712 358489223 /nfs/dbraw/zinc/48/92/23/358489223.db2.gz ONCBBNBTBVFHGS-UWVGGRQHSA-N 0 3 249.380 0.255 20 0 BCADHN C[C@H](O)[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000535558919 354782804 /nfs/dbraw/zinc/78/28/04/354782804.db2.gz 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CC[C@H](C(=O)N1CCOC[C@@H]1CC)N(C)C ZINC000413464610 191382905 /nfs/dbraw/zinc/38/29/05/191382905.db2.gz WNTXIBYXBQHQSK-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CCC[C@H](O)[C@@H](CO)Nc1ccnc(CC)c1 ZINC000413500619 191392062 /nfs/dbraw/zinc/39/20/62/191392062.db2.gz KPPHMTPOGVBSRR-OLZOCXBDSA-N 0 3 238.331 1.000 20 0 BCADHN COC[C@H](O)CN1CCN(C)CC1(C)C ZINC000347597508 355250718 /nfs/dbraw/zinc/25/07/18/355250718.db2.gz ICSXPYZKZHJGOJ-SNVBAGLBSA-N 0 3 216.325 0.020 20 0 BCADHN CCN(C)CCNC(=O)NC[C@H](C)CCOC ZINC000413183980 191362153 /nfs/dbraw/zinc/36/21/53/191362153.db2.gz ITTIHYREBZBKCP-LLVKDONJSA-N 0 3 245.367 0.910 20 0 BCADHN CC[C@@H](C(=O)N[C@@](C)(CC)C(=O)OC)N(C)C ZINC000413293865 191369165 /nfs/dbraw/zinc/36/91/65/191369165.db2.gz FWWILULWGCRHOL-CABZTGNLSA-N 0 3 244.335 0.785 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H]1CN(C)C)N(C)C ZINC000413344912 191374256 /nfs/dbraw/zinc/37/42/56/191374256.db2.gz XEKOHBNCLKVFOR-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)N1CCCNCC1 ZINC000335287879 355257312 /nfs/dbraw/zinc/25/73/12/355257312.db2.gz QJDZZFZUQIYVLB-ZJUUUORDSA-N 0 3 211.309 0.647 20 0 BCADHN CO[C@H](CN1CC(C)(CO)C1)C1CCOCC1 ZINC000639254932 355295025 /nfs/dbraw/zinc/29/50/25/355295025.db2.gz HLTPSEIMZAGQKH-GFCCVEGCSA-N 0 3 243.347 0.742 20 0 BCADHN C[C@@H]1C[C@@H](CNCc2ncnn2C)[C@H](C)O1 ZINC000639263989 355320263 /nfs/dbraw/zinc/32/02/63/355320263.db2.gz KRTLANPQHHWKLA-UTLUCORTSA-N 0 3 224.308 0.718 20 0 BCADHN Cc1cnn(C)c1CNC[C@H]1C[C@@H](O)C1 ZINC000623749232 355320438 /nfs/dbraw/zinc/32/04/38/355320438.db2.gz ZZVDSYJUDJJHKH-AOOOYVTPSA-N 0 3 209.293 0.589 20 0 BCADHN CC[C@H](O)CCCNC(=O)CCOC1CNC1 ZINC000348989136 355336804 /nfs/dbraw/zinc/33/68/04/355336804.db2.gz CDEGBVIORCKUHJ-JTQLQIEISA-N 0 3 244.335 0.032 20 0 BCADHN C[C@H]1CN(C(=O)CCOC2CNC2)CCS1 ZINC000348989095 355336868 /nfs/dbraw/zinc/33/68/68/355336868.db2.gz BTPVHXBPCOJWRM-VIFPVBQESA-N 0 3 244.360 0.329 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000352016115 134036885 /nfs/dbraw/zinc/03/68/85/134036885.db2.gz VCMZXBWKWWSVHU-RYUDHWBXSA-N 0 3 241.379 0.879 20 0 BCADHN CNC(=O)C1CN(CCC[C@@H]2CCO2)C1 ZINC000639268986 355330676 /nfs/dbraw/zinc/33/06/76/355330676.db2.gz XXFIRCOOMOBDQB-SNVBAGLBSA-N 0 3 212.293 0.233 20 0 BCADHN CCn1ncnc1CN1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000639247629 355276481 /nfs/dbraw/zinc/27/64/81/355276481.db2.gz SUICDELLIFGLPI-WDEREUQCSA-N 0 3 235.335 0.434 20 0 BCADHN C[C@@H](C(=O)NC1(CO)CC1)N1[C@H](C)CC[C@H]1C ZINC000413638527 191399942 /nfs/dbraw/zinc/39/99/42/191399942.db2.gz IWTYUDKQVIPTMP-MXWKQRLJSA-N 0 3 240.347 0.889 20 0 BCADHN CCNC(=O)C1CN(CCC[C@H]2CCO2)C1 ZINC000639250812 355281261 /nfs/dbraw/zinc/28/12/61/355281261.db2.gz CFDZDEXQHGYQNC-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN CO[C@@]1(CN2CC3(C2)CCCOC3)CCOC1 ZINC000639250996 355281783 /nfs/dbraw/zinc/28/17/83/355281783.db2.gz FSTAGDHLLPQXHT-CYBMUJFWSA-N 0 3 241.331 0.904 20 0 BCADHN Cn1cc(CCCN2CC(CCO)C2)cn1 ZINC000639250576 355284344 /nfs/dbraw/zinc/28/43/44/355284344.db2.gz 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0.885 20 0 BCADHN CCC[C@@H](CC)Nc1nc(N)nc(N)n1 ZINC000623902746 355355792 /nfs/dbraw/zinc/35/57/92/355355792.db2.gz OZKSXJYYVGYWPF-ZCFIWIBFSA-N 0 3 210.285 0.109 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc3c(c2)CNC3)CCN1 ZINC000335786637 355436302 /nfs/dbraw/zinc/43/63/02/355436302.db2.gz QBYQRMKPRCYJES-SNVBAGLBSA-N 0 3 245.326 0.724 20 0 BCADHN OCCCN1CCC[C@H](Nc2ncccn2)C1 ZINC000349839667 355491991 /nfs/dbraw/zinc/49/19/91/355491991.db2.gz LOLNYHUDCUJQGU-NSHDSACASA-N 0 3 236.319 0.735 20 0 BCADHN CCN1C[C@H](C)N(CC(=O)NC)C[C@H]1C ZINC000335814299 355502799 /nfs/dbraw/zinc/50/27/99/355502799.db2.gz ZARBMJTXUXIDCA-ZJUUUORDSA-N 0 3 213.325 0.147 20 0 BCADHN CCN1C[C@H](C)N(CC(=O)NC)C[C@@H]1C ZINC000335814297 355502853 /nfs/dbraw/zinc/50/28/53/355502853.db2.gz ZARBMJTXUXIDCA-UWVGGRQHSA-N 0 3 213.325 0.147 20 0 BCADHN COCCNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000349788065 355462882 /nfs/dbraw/zinc/46/28/82/355462882.db2.gz VZRXPSGLEHMEJR-NSHDSACASA-N 0 3 241.335 0.511 20 0 BCADHN CCCCN(C)CCNC(=O)CC(C)(C)O ZINC000349815158 355467833 /nfs/dbraw/zinc/46/78/33/355467833.db2.gz ZERHYWMZGASOMO-UHFFFAOYSA-N 0 3 230.352 0.996 20 0 BCADHN C[C@H]1SCC[C@H]1NCc1cnc(N)nc1N ZINC000639291252 355468765 /nfs/dbraw/zinc/46/87/65/355468765.db2.gz YHUSRRNUFPPGLE-HTRCEHHLSA-N 0 3 239.348 0.285 20 0 BCADHN CN1CCC[C@H]1CNC(=O)CC(C)(C)O ZINC000349846109 355472379 /nfs/dbraw/zinc/47/23/79/355472379.db2.gz AKQKKOJBIKBULM-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN CC(C)[C@H](O)C(=O)NCCN1CCC(C)CC1 ZINC000349852640 355483526 /nfs/dbraw/zinc/48/35/26/355483526.db2.gz FKKLQBOAIJEAAJ-LBPRGKRZSA-N 0 3 242.363 0.851 20 0 BCADHN CN(C(=O)[C@]1(C)CCOC1)[C@@H]1CCCN(C)C1 ZINC000335997594 134042415 /nfs/dbraw/zinc/04/24/15/134042415.db2.gz LZUVPYIKCGOFHF-DGCLKSJQSA-N 0 3 240.347 0.966 20 0 BCADHN c1cnn([C@@H]2CCN(CCn3cncn3)C2)c1 ZINC000583547657 355536699 /nfs/dbraw/zinc/53/66/99/355536699.db2.gz CBEIFJSKQWTNKI-LLVKDONJSA-N 0 3 232.291 0.422 20 0 BCADHN C[C@H](CC1CCOCC1)CN(C)CC(N)=O ZINC000349966533 355545936 /nfs/dbraw/zinc/54/59/36/355545936.db2.gz MTZZIEMGUUQNPH-SNVBAGLBSA-N 0 3 228.336 0.856 20 0 BCADHN COC(=O)C(C)(C)CCN[C@@H]1CCN(C)C1=O ZINC000349970101 355549403 /nfs/dbraw/zinc/54/94/03/355549403.db2.gz HVLAYXMYYYAGRF-SECBINFHSA-N 0 3 242.319 0.396 20 0 BCADHN CC(C)OCC[C@@H](O)CN1C[C@H](O)C2(CC2)C1 ZINC000349873168 355513674 /nfs/dbraw/zinc/51/36/74/355513674.db2.gz DEWADEVFRVFWQM-NEPJUHHUSA-N 0 3 243.347 0.619 20 0 BCADHN CC[C@@](C)(NC[C@H](O)CCOC(C)C)C(N)=O ZINC000349884543 355518608 /nfs/dbraw/zinc/51/86/08/355518608.db2.gz QMJIRPAFXSRHKT-ZYHUDNBSSA-N 0 3 246.351 0.406 20 0 BCADHN N=C(NO)[C@H]1CCCCN1CC(=O)NC1CC1 ZINC000374170342 181199931 /nfs/dbraw/zinc/19/99/31/181199931.db2.gz BJMQNZUTRCIRHY-SECBINFHSA-N 0 3 240.307 0.076 20 0 BCADHN N=C(NO)[C@H]1CCCCN1CCn1ccnc1 ZINC000368527805 181200200 /nfs/dbraw/zinc/20/02/00/181200200.db2.gz VPMJYHGJNNWXAM-SNVBAGLBSA-N 0 3 237.307 0.694 20 0 BCADHN COCCN(C)CCNC(=O)[C@H]1CO[C@H](C)C1 ZINC000352043968 134045408 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MKUJPRRTTOACRD-BXKDBHETSA-N 0 3 223.320 0.931 20 0 BCADHN CO[C@@H](C(=O)N(C)CCN(C)C)C1CC1 ZINC000350179987 355621493 /nfs/dbraw/zinc/62/14/93/355621493.db2.gz BTJWOILIPLOJBP-SNVBAGLBSA-N 0 3 214.309 0.431 20 0 BCADHN O[C@@H]1C[C@H]2CN(CCC[C@H]3CCO3)CCN2C1 ZINC000639299075 355623753 /nfs/dbraw/zinc/62/37/53/355623753.db2.gz GNYHUSWTMUWNAE-XQQFMLRXSA-N 0 3 240.347 0.306 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2cncn2C)C1 ZINC000335870062 355635800 /nfs/dbraw/zinc/63/58/00/355635800.db2.gz CIBHSZHWXVWIDV-SNVBAGLBSA-N 0 3 236.319 0.634 20 0 BCADHN O=C1CC[C@H]2CN(CC[C@H]3CCCO3)CCN12 ZINC000335871048 355637144 /nfs/dbraw/zinc/63/71/44/355637144.db2.gz KHNRYRJBOYMZPC-NWDGAFQWSA-N 0 3 238.331 0.862 20 0 BCADHN CC[C@@H]1[C@@H](CO)CCN1CC(=O)N(CC)CC ZINC000385744811 355688694 /nfs/dbraw/zinc/68/86/94/355688694.db2.gz CFHKHSJOTGFUHY-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H](NCC1(SC)CC1)C(=O)NC ZINC000449767885 202026757 /nfs/dbraw/zinc/02/67/57/202026757.db2.gz BHRYPDMWMHAIKO-MRVPVSSYSA-N 0 3 216.350 0.996 20 0 BCADHN Nc1ncc(CNC[C@@H]2CCC[C@H]3C[C@H]32)c(N)n1 ZINC000639316068 355706848 /nfs/dbraw/zinc/70/68/48/355706848.db2.gz LQSMGUAHNJRYEA-ATZCPNFKSA-N 0 3 247.346 0.828 20 0 BCADHN COc1cc(CNC2CCN(C)CC2)on1 ZINC000639323626 355717281 /nfs/dbraw/zinc/71/72/81/355717281.db2.gz FAUGAZFYHPXYSQ-UHFFFAOYSA-N 0 3 225.292 0.867 20 0 BCADHN C[C@@H](O)CN1CCC(c2c[nH]cn2)CC1 ZINC000335886879 355677610 /nfs/dbraw/zinc/67/76/10/355677610.db2.gz RFXZTXZANFBKMW-SECBINFHSA-N 0 3 209.293 0.970 20 0 BCADHN COCc1n[nH]c(CN[C@H]2CS[C@@H](C)C2)n1 ZINC000639311366 355681989 /nfs/dbraw/zinc/68/19/89/355681989.db2.gz MTCCJKKMJSAWBI-JGVFFNPUSA-N 0 3 242.348 0.935 20 0 BCADHN CC[C@H]1CC[C@@H](C(=O)N2CCCNCC2)O1 ZINC000335892965 355686726 /nfs/dbraw/zinc/68/67/26/355686726.db2.gz QTFJGWGGVKWOQR-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccc(CN)o2)[C@@H]1C ZINC000335894491 355688406 /nfs/dbraw/zinc/68/84/06/355688406.db2.gz JORDCQOUHKRTRC-RKDXNWHRSA-N 0 3 237.303 0.561 20 0 BCADHN Cn1ncnc1CNC[C@@H]1CCOC1(C)C ZINC000639330647 355747821 /nfs/dbraw/zinc/74/78/21/355747821.db2.gz MZYGUKDQCPXWMK-VIFPVBQESA-N 0 3 224.308 0.720 20 0 BCADHN CCC[C@@H](CN1CCN(C)C[C@H]1CO)OC ZINC000639333026 355761689 /nfs/dbraw/zinc/76/16/89/355761689.db2.gz GAJFCBGDTFBGTO-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN CO[C@@H](CN1CCN(C)C[C@@H]1CO)C1CC1 ZINC000639333246 355762119 /nfs/dbraw/zinc/76/21/19/355762119.db2.gz GQUWFRSCFACMQW-NEPJUHHUSA-N 0 3 228.336 0.020 20 0 BCADHN CS[C@H]1CC[C@H]1NCC(=O)NC(C)C ZINC000425334344 191814398 /nfs/dbraw/zinc/81/43/98/191814398.db2.gz DNHAPKMUWMNOFK-BDAKNGLRSA-N 0 3 216.350 0.995 20 0 BCADHN CCOC1CC(CN2CCN(C)C[C@@H]2CO)C1 ZINC000639333269 355762663 /nfs/dbraw/zinc/76/26/63/355762663.db2.gz GXYSCIOROXXQIK-OTTFEQOBSA-N 0 3 242.363 0.410 20 0 BCADHN COCC1(CN2CCN(C)C[C@@H]2CO)CCC1 ZINC000639334085 355764640 /nfs/dbraw/zinc/76/46/40/355764640.db2.gz PRNMTFAYDCGLCX-GFCCVEGCSA-N 0 3 242.363 0.411 20 0 BCADHN O=c1c(CN[C@H]2C[C@H](O)C2)cccn1C(F)F ZINC000639334447 355765522 /nfs/dbraw/zinc/76/55/22/355765522.db2.gz CPHOTAGUJTZNEH-KYZUINATSA-N 0 3 244.241 0.856 20 0 BCADHN CN1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)[C@H](CO)C1 ZINC000639334774 355766169 /nfs/dbraw/zinc/76/61/69/355766169.db2.gz WEWINDRJTZTHGM-RNJOBUHISA-N 0 3 224.348 0.641 20 0 BCADHN CC[C@H](C)CN1CCN(C)C[C@@H]1CO ZINC000639337808 355777307 /nfs/dbraw/zinc/77/73/07/355777307.db2.gz VBXGYWONZHDSNZ-WDEREUQCSA-N 0 3 200.326 0.641 20 0 BCADHN CCOC(=O)C[C@H](O)CN1C[C@H](O)CC[C@H]1C ZINC000399162591 355778237 /nfs/dbraw/zinc/77/82/37/355778237.db2.gz AHVRUGVIOFJUFW-MXWKQRLJSA-N 0 3 245.319 0.146 20 0 BCADHN CC(C)(CNCc1cn[nH]n1)N1CCOCC1 ZINC000639340368 355781917 /nfs/dbraw/zinc/78/19/17/355781917.db2.gz DQOODUOOTWZFOR-UHFFFAOYSA-N 0 3 239.323 0.005 20 0 BCADHN C[C@@H](Cc1cnccn1)NCc1cn[nH]n1 ZINC000639341707 355783917 /nfs/dbraw/zinc/78/39/17/355783917.db2.gz PAGCQDLLWPAFRK-QMMMGPOBSA-N 0 3 218.264 0.316 20 0 BCADHN C[C@@H]1C[C@H](N(CCO)CCO)CS1 ZINC000639342867 355786011 /nfs/dbraw/zinc/78/60/11/355786011.db2.gz DNQUVWSNIKFVGW-BDAKNGLRSA-N 0 3 205.323 0.167 20 0 BCADHN CCn1nncc1CNCCCc1cnn(C)c1 ZINC000639344140 355787539 /nfs/dbraw/zinc/78/75/39/355787539.db2.gz UPCCKVYLPDKBIF-UHFFFAOYSA-N 0 3 248.334 0.754 20 0 BCADHN COc1ncc(CN[C@@H]2CCOC[C@H]2O)s1 ZINC000639354494 355805128 /nfs/dbraw/zinc/80/51/28/355805128.db2.gz IBGLPEFGIYWYTL-RKDXNWHRSA-N 0 3 244.316 0.391 20 0 BCADHN CC[C@@](C)(CN[C@@H]1COC[C@@H]1O)OC ZINC000639362491 355818212 /nfs/dbraw/zinc/81/82/12/355818212.db2.gz FDINZHLOPVPJKT-UTLUCORTSA-N 0 3 203.282 0.151 20 0 BCADHN C[C@@H](N[C@@H]1COC[C@@H]1O)[C@H]1CC1(F)F ZINC000639363484 355822614 /nfs/dbraw/zinc/82/26/14/355822614.db2.gz QAPAAKHBROQBQN-XUTVFYLZSA-N 0 3 207.220 0.379 20 0 BCADHN C[C@@H](Cc1cccs1)N(CCO)CCO ZINC000628369681 355876301 /nfs/dbraw/zinc/87/63/01/355876301.db2.gz REDJAFZDUFILOQ-JTQLQIEISA-N 0 3 229.345 0.966 20 0 BCADHN COC[C@@](C)(O)CNCc1cc(OC)ns1 ZINC000399105617 355837414 /nfs/dbraw/zinc/83/74/14/355837414.db2.gz AESNQYFQOWVDAL-JTQLQIEISA-N 0 3 246.332 0.639 20 0 BCADHN NC(=O)C1(NC[C@@H](O)C2CCCCC2)CC1 ZINC000336705873 181213973 /nfs/dbraw/zinc/21/39/73/181213973.db2.gz PPYXISZPOQUEGR-SNVBAGLBSA-N 0 3 226.320 0.535 20 0 BCADHN NC(=O)C1(NC[C@@H]2CCCO2)CCCC1 ZINC000037943028 181213990 /nfs/dbraw/zinc/21/39/90/181213990.db2.gz GSNPDYRQRHRDNS-VIFPVBQESA-N 0 3 212.293 0.553 20 0 BCADHN C[C@@H](CCn1cccn1)NCc1cn[nH]n1 ZINC000628363380 355847152 /nfs/dbraw/zinc/84/71/52/355847152.db2.gz HSBCLEAGWGHIEJ-VIFPVBQESA-N 0 3 220.280 0.570 20 0 BCADHN COC[C@@H](CC(C)C)NCc1cn[nH]n1 ZINC000628363464 355848125 /nfs/dbraw/zinc/84/81/25/355848125.db2.gz LNZDATPDVKSZMI-SECBINFHSA-N 0 3 212.297 0.955 20 0 BCADHN COC[C@@H](CC(C)C)NCc1c[nH]nn1 ZINC000628363464 355848126 /nfs/dbraw/zinc/84/81/26/355848126.db2.gz LNZDATPDVKSZMI-SECBINFHSA-N 0 3 212.297 0.955 20 0 BCADHN CC(C)OC1CC(NCc2cn[nH]n2)C1 ZINC000628363445 355848680 /nfs/dbraw/zinc/84/86/80/355848680.db2.gz KLVKNVZWULACRR-UHFFFAOYSA-N 0 3 210.281 0.850 20 0 BCADHN CC(C)OC1CC(NCc2c[nH]nn2)C1 ZINC000628363445 355848684 /nfs/dbraw/zinc/84/86/84/355848684.db2.gz KLVKNVZWULACRR-UHFFFAOYSA-N 0 3 210.281 0.850 20 0 BCADHN COc1ccc(CN[C@H](C)C[S@@](C)=O)cn1 ZINC000166814104 355851207 /nfs/dbraw/zinc/85/12/07/355851207.db2.gz MCJJQKOVIKCTPG-ABKXIKBNSA-N 0 3 242.344 0.947 20 0 BCADHN C[C@H](Cc1cccs1)N(CCO)CCO ZINC000628369682 355877035 /nfs/dbraw/zinc/87/70/35/355877035.db2.gz REDJAFZDUFILOQ-SNVBAGLBSA-N 0 3 229.345 0.966 20 0 BCADHN Fc1cccc(-c2nnn(C3CNC3)n2)c1 ZINC000584349355 355854462 /nfs/dbraw/zinc/85/44/62/355854462.db2.gz PWOYTBCFMQWEDO-UHFFFAOYSA-N 0 3 219.223 0.624 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)Nc2cc(C)nn2C)C1 ZINC000191874288 355858952 /nfs/dbraw/zinc/85/89/52/355858952.db2.gz KWLMBYNPMGKUJK-DTWKUNHWSA-N 0 3 238.291 0.044 20 0 BCADHN C[C@H](CNC(=O)c1cnn(CCF)c1)N(C)C ZINC000350898412 355870516 /nfs/dbraw/zinc/87/05/16/355870516.db2.gz VXCNXVVZUYGWQU-SECBINFHSA-N 0 3 242.298 0.533 20 0 BCADHN Cc1cc(CN(CCO)CCO)ccc1F ZINC000628369626 355875678 /nfs/dbraw/zinc/87/56/78/355875678.db2.gz NEZUNFTWEWIXJQ-UHFFFAOYSA-N 0 3 227.279 0.921 20 0 BCADHN COCC1(CCNC(=O)[C@@H](N)C(C)C)CC1 ZINC000583631316 355941560 /nfs/dbraw/zinc/94/15/60/355941560.db2.gz SBNZGQXHNQXZPJ-JTQLQIEISA-N 0 3 228.336 0.903 20 0 BCADHN NC(=O)CC1CCN(C[C@H]2CCCO2)CC1 ZINC000119342534 181220479 /nfs/dbraw/zinc/22/04/79/181220479.db2.gz UQLBARXXRPPSNT-LLVKDONJSA-N 0 3 226.320 0.753 20 0 BCADHN O=C1CCC[C@@H](CNCC2(F)CC2)N1 ZINC000389245836 355934776 /nfs/dbraw/zinc/93/47/76/355934776.db2.gz BUBHEYKDPZWGQA-QMMMGPOBSA-N 0 3 200.257 0.747 20 0 BCADHN C[C@H](CO)[C@H](C)NCc1cnc(N(C)C)n1C ZINC000166905906 355937634 /nfs/dbraw/zinc/93/76/34/355937634.db2.gz WYOPRKQOPJZRJT-ZJUUUORDSA-N 0 3 240.351 0.593 20 0 BCADHN C[C@@H](Cc1ccoc1)N(CCO)CCO ZINC000628370231 355880140 /nfs/dbraw/zinc/88/01/40/355880140.db2.gz GDPLBSRMSJMATJ-JTQLQIEISA-N 0 3 213.277 0.497 20 0 BCADHN Cc1cc(CN(CCO)CCO)cc(C)c1O ZINC000628370195 355880448 /nfs/dbraw/zinc/88/04/48/355880448.db2.gz CTODKDJWVVVAFW-UHFFFAOYSA-N 0 3 239.315 0.796 20 0 BCADHN Cc1nccc(C(=O)NCCN2CC[C@@H](C)C2)n1 ZINC000608613552 355882158 /nfs/dbraw/zinc/88/21/58/355882158.db2.gz ACOBUABJMZICTH-SNVBAGLBSA-N 0 3 248.330 0.857 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2ccc(=O)[nH]c2)C1 ZINC000608613479 355882195 /nfs/dbraw/zinc/88/21/95/355882195.db2.gz GCDHHVKHJJBOOG-JTQLQIEISA-N 0 3 249.314 0.859 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2ccc(=O)[nH]c2)C1 ZINC000608613480 355882341 /nfs/dbraw/zinc/88/23/41/355882341.db2.gz GCDHHVKHJJBOOG-SNVBAGLBSA-N 0 3 249.314 0.859 20 0 BCADHN C[C@H]1NCCN(C(=O)[C@H]2CCCO2)[C@H]1C ZINC000379458337 358499432 /nfs/dbraw/zinc/49/94/32/358499432.db2.gz XWCYLNRQZIGGHM-KXUCPTDWSA-N 0 3 212.293 0.374 20 0 BCADHN CCNC(=O)NC(=O)CN1C[C@@H](C)CC1(C)C ZINC000336060302 134068369 /nfs/dbraw/zinc/06/83/69/134068369.db2.gz URVJXOQLYKIBFJ-VIFPVBQESA-N 0 3 241.335 0.953 20 0 BCADHN COCCN1CC[C@@H](NCC2(F)CC2)C1 ZINC000309062488 355989313 /nfs/dbraw/zinc/98/93/13/355989313.db2.gz XNXVOGUQOUGJQH-SNVBAGLBSA-N 0 3 216.300 0.799 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)Nc2ccn(C)n2)C1 ZINC000167407807 355991813 /nfs/dbraw/zinc/99/18/13/355991813.db2.gz VZBFOVLYRXZMPR-DTWKUNHWSA-N 0 3 222.292 0.747 20 0 BCADHN COCCCCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000167429753 355992842 /nfs/dbraw/zinc/99/28/42/355992842.db2.gz QLYCGHJROBERNY-MNOVXSKESA-N 0 3 228.336 0.917 20 0 BCADHN COCCCCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000167429863 355992858 /nfs/dbraw/zinc/99/28/58/355992858.db2.gz QLYCGHJROBERNY-QWRGUYRKSA-N 0 3 228.336 0.917 20 0 BCADHN NC(=O)[C@H](Cc1ccccc1)N[C@@H]1CCOC1 ZINC000351449564 355993219 /nfs/dbraw/zinc/99/32/19/355993219.db2.gz ZHLRSXHVCMDFBV-NEPJUHHUSA-N 0 3 234.299 0.462 20 0 BCADHN COCCCCNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000167430072 355993557 /nfs/dbraw/zinc/99/35/57/355993557.db2.gz QLYCGHJROBERNY-WDEREUQCSA-N 0 3 228.336 0.917 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCN(C)CC1)N(C)C ZINC000216465406 355995265 /nfs/dbraw/zinc/99/52/65/355995265.db2.gz SMCXWWYOEJUGOD-NSHDSACASA-N 0 3 227.352 0.347 20 0 BCADHN CC[C@H](C(=O)N1CCN(CC)CC1)N(C)C ZINC000351490305 356000614 /nfs/dbraw/zinc/00/06/14/356000614.db2.gz KPVVGLDVLPJXJX-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN C[C@@H]1C[C@H]1CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000351496906 356002465 /nfs/dbraw/zinc/00/24/65/356002465.db2.gz YQFZRZBKBMRZNV-UTLUCORTSA-N 0 3 232.349 0.266 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000351496901 356002629 /nfs/dbraw/zinc/00/26/29/356002629.db2.gz YQFZRZBKBMRZNV-BBBLOLIVSA-N 0 3 232.349 0.266 20 0 BCADHN CCC[C@](C)(O)CNCc1cnnn1CC ZINC000417921879 191940290 /nfs/dbraw/zinc/94/02/90/191940290.db2.gz SEASWCYUHVGNMK-NSHDSACASA-N 0 3 226.324 0.939 20 0 BCADHN COC(=O)c1ccc(CN[C@H](C)CC(N)=O)[nH]1 ZINC000167070033 355954340 /nfs/dbraw/zinc/95/43/40/355954340.db2.gz YMNLZPROYZLOTL-SSDOTTSWSA-N 0 3 239.275 0.155 20 0 BCADHN CCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000167116275 355959182 /nfs/dbraw/zinc/95/91/82/355959182.db2.gz YHQYCRYFBOAIDY-HOTUBEGUSA-N 0 3 226.320 0.655 20 0 BCADHN C[C@H](C(=O)N1CCN[C@@H](C)[C@H]1C)n1cncn1 ZINC000379463895 358499962 /nfs/dbraw/zinc/49/99/62/358499962.db2.gz FXJFOFLRLCTFQH-IVZWLZJFSA-N 0 3 237.307 0.048 20 0 BCADHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)N(C)C ZINC000351624704 356033596 /nfs/dbraw/zinc/03/35/96/356033596.db2.gz ZPFPUZOLOAFYRP-MXWKQRLJSA-N 0 3 228.336 0.556 20 0 BCADHN CC[C@@](C)(CCO)NC(=O)C1CCN(C)CC1 ZINC000351629217 356035145 /nfs/dbraw/zinc/03/51/45/356035145.db2.gz CMRFBXCYOLCUKT-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CCC[N@H+](C)CC(=O)N[C@H](C)c1nnc[n-]1 ZINC000351632077 356036951 /nfs/dbraw/zinc/03/69/51/356036951.db2.gz UIMKADHGUBLCKB-MRVPVSSYSA-N 0 3 225.296 0.324 20 0 BCADHN CCC[N@@H+](C)CC(=O)N[C@H](C)c1nnc[n-]1 ZINC000351632077 356036956 /nfs/dbraw/zinc/03/69/56/356036956.db2.gz UIMKADHGUBLCKB-MRVPVSSYSA-N 0 3 225.296 0.324 20 0 BCADHN NC(=O)CN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000371549863 181236601 /nfs/dbraw/zinc/23/66/01/181236601.db2.gz BDUBZWXOUPANMO-WCQYABFASA-N 0 3 234.299 0.839 20 0 BCADHN NC(=O)CN[C@H]1CCCC[C@H]1OC(F)F ZINC000337377129 181236951 /nfs/dbraw/zinc/23/69/51/181236951.db2.gz BSKVXLUXEPVUHF-NKWVEPMBSA-N 0 3 222.235 0.612 20 0 BCADHN NC(=O)CN[C@@H]1CCCC[C@H]1n1cccn1 ZINC000128944740 181237268 /nfs/dbraw/zinc/23/72/68/181237268.db2.gz CFYCWJORKGGYGB-NXEZZACHSA-N 0 3 222.292 0.442 20 0 BCADHN CNS(=O)(=O)NC[C@H](C)CN1CCCCC1 ZINC000351674939 356052743 /nfs/dbraw/zinc/05/27/43/356052743.db2.gz SPGZLFVWNNNRTO-JTQLQIEISA-N 0 3 249.380 0.162 20 0 BCADHN CN(Cc1cn[nH]c1)[C@@H]1CN2CCC1CC2 ZINC000639392289 356052919 /nfs/dbraw/zinc/05/29/19/356052919.db2.gz DOAHCBCQICGGBJ-GFCCVEGCSA-N 0 3 220.320 0.936 20 0 BCADHN NC(=O)CCNCc1cnn(-c2ccccc2)c1 ZINC000036747038 181225592 /nfs/dbraw/zinc/22/55/92/181225592.db2.gz RMFRXSMUSJOIGZ-UHFFFAOYSA-N 0 3 244.298 0.837 20 0 BCADHN C[C@@H](CO)N(CC(=O)NC1CC1)C1CCCC1 ZINC000351526316 356009315 /nfs/dbraw/zinc/00/93/15/356009315.db2.gz WMKUDVKQKSLJIF-JTQLQIEISA-N 0 3 240.347 0.890 20 0 BCADHN CCN(C(=O)[C@@H](C)CC(N)=O)[C@H]1CCN(C)C1 ZINC000617551648 356107825 /nfs/dbraw/zinc/10/78/25/356107825.db2.gz WNPXAXNTFJXMOA-UWVGGRQHSA-N 0 3 241.335 0.051 20 0 BCADHN CCN(C(=O)[C@H]1CCCO1)[C@@H]1CCN(C)C1 ZINC000617553534 356110530 /nfs/dbraw/zinc/11/05/30/356110530.db2.gz KDEBJKVZZCOJLN-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN CCN(C(=O)c1cn(C)cn1)[C@H]1CCN(C)C1 ZINC000617554232 356110684 /nfs/dbraw/zinc/11/06/84/356110684.db2.gz YMNUBEKYTFJMEM-JTQLQIEISA-N 0 3 236.319 0.586 20 0 BCADHN CCN(CC)CC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000617555133 356111786 /nfs/dbraw/zinc/11/17/86/356111786.db2.gz QIBUNPGNRGVTSK-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCN(C)C1 ZINC000617555105 356111950 /nfs/dbraw/zinc/11/19/50/356111950.db2.gz PZRFTTSESBFCKY-NEPJUHHUSA-N 0 3 239.363 0.633 20 0 BCADHN CCN(C(=O)c1cn[nH]c1)[C@@H]1CCN(C)C1 ZINC000617557017 356114543 /nfs/dbraw/zinc/11/45/43/356114543.db2.gz BWXOURMSZNYFSI-SNVBAGLBSA-N 0 3 222.292 0.576 20 0 BCADHN CCN(C(=O)c1c[nH]nc1C)[C@H]1CCN(C)C1 ZINC000617557886 356114953 /nfs/dbraw/zinc/11/49/53/356114953.db2.gz VMYBIISTHOQVMI-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN C[C@@H](F)CCN1CCC[C@H]1CS(N)(=O)=O ZINC000351881499 356115450 /nfs/dbraw/zinc/11/54/50/356115450.db2.gz MJNCUDBNQCBRLM-BDAKNGLRSA-N 0 3 238.328 0.487 20 0 BCADHN CCN(C(=O)c1ncc[nH]1)[C@@H]1CCN(C)C1 ZINC000617560945 356121136 /nfs/dbraw/zinc/12/11/36/356121136.db2.gz ANCDHIDXPTUZMI-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN CCN(C(=O)[C@H](O)C1CCC1)[C@H]1CCN(C)C1 ZINC000617561024 356121543 /nfs/dbraw/zinc/12/15/43/356121543.db2.gz CHHVHYYYEJZSGZ-NWDGAFQWSA-N 0 3 240.347 0.700 20 0 BCADHN O=C1C[C@H](N[C@H]2CCCn3nccc32)CCCN1 ZINC000639399328 356124167 /nfs/dbraw/zinc/12/41/67/356124167.db2.gz UHTFQJNASCFXBU-MNOVXSKESA-N 0 3 248.330 0.976 20 0 BCADHN CCN(C)CCNC(=O)N[C@H](C)c1ccon1 ZINC000351712151 356067460 /nfs/dbraw/zinc/06/74/60/356067460.db2.gz NBFXKWNKHOYCDG-SECBINFHSA-N 0 3 240.307 0.987 20 0 BCADHN CC[C@@H](C(=O)N(C)CCCCO)N(C)C ZINC000351744126 356079004 /nfs/dbraw/zinc/07/90/04/356079004.db2.gz KEJKJGVAXVTPFO-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN CC(C)N1CCC[C@H](N2C[C@@H](C)[C@@H](O)C2)C1=O ZINC000351820113 356089899 /nfs/dbraw/zinc/08/98/99/356089899.db2.gz CIAOTPYZHKNLJG-WOPDTQHZSA-N 0 3 240.347 0.698 20 0 BCADHN OC[C@@H]1CSCCN1CCC[C@H]1CCO1 ZINC000639396426 356099564 /nfs/dbraw/zinc/09/95/64/356099564.db2.gz GWYHVXJTJSNIHI-MNOVXSKESA-N 0 3 231.361 0.965 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CCCCO1 ZINC000351892357 356159288 /nfs/dbraw/zinc/15/92/88/356159288.db2.gz ZFWFXCLYEABUBQ-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN CC/C=C/CNC(=O)NC[C@H]1CNCCO1 ZINC000418265240 192010436 /nfs/dbraw/zinc/01/04/36/192010436.db2.gz KUKYBEVUIHBILZ-HMDXOVGESA-N 0 3 227.308 0.240 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000167503863 356175569 /nfs/dbraw/zinc/17/55/69/356175569.db2.gz VNZSULYSYRWQMG-VWYCJHECSA-N 0 3 228.336 0.652 20 0 BCADHN CN1CCOC[C@@H]1CNCc1ccco1 ZINC000623710715 356134911 /nfs/dbraw/zinc/13/49/11/356134911.db2.gz LKWYRAVKFRWVHE-JTQLQIEISA-N 0 3 210.277 0.700 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000336098363 134080904 /nfs/dbraw/zinc/08/09/04/134080904.db2.gz DLODWBLCFKLURA-SFYZADRCSA-N 0 3 227.308 0.934 20 0 BCADHN CN1CCOC[C@@H]1CNCc1cccc(O)c1 ZINC000623710729 356141567 /nfs/dbraw/zinc/14/15/67/356141567.db2.gz LVBMDYVRDCIWJL-LBPRGKRZSA-N 0 3 236.315 0.812 20 0 BCADHN CO[C@H](C)[C@@H](C)NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418232728 192001546 /nfs/dbraw/zinc/00/15/46/192001546.db2.gz HOWVCTXHXZSGRL-LNFKQOIKSA-N 0 3 243.351 0.802 20 0 BCADHN C[C@@H]1OCC[C@H]1CN(C)CC(=O)N1CCCC1 ZINC000639433657 356211292 /nfs/dbraw/zinc/21/12/92/356211292.db2.gz UVZFWWSMSHCJSQ-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H]1OCC[C@H]1CN(C)CC(=O)NC1CC1 ZINC000639446917 356227173 /nfs/dbraw/zinc/22/71/73/356227173.db2.gz WWHXFRTYYLAVLD-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN NCC(=O)N[C@@H]1CCCc2cc(N)ccc21 ZINC000336103639 134084105 /nfs/dbraw/zinc/08/41/05/134084105.db2.gz SEGCYOUDTGMVDB-LLVKDONJSA-N 0 3 219.288 0.721 20 0 BCADHN CN(C[C@H]1CCc2ncnn21)C[C@@H]1CCCO1 ZINC000639452752 356233440 /nfs/dbraw/zinc/23/34/40/356233440.db2.gz BLSQEAXJFLEVSA-MNOVXSKESA-N 0 3 236.319 0.876 20 0 BCADHN CC(=O)NCCCN1CCC([C@H](C)O)CC1 ZINC000304020789 192015413 /nfs/dbraw/zinc/01/54/13/192015413.db2.gz DHOMXNZTXCLYFL-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CNC(=O)[C@H]1CCCN1CC[C@H](C)F ZINC000351911125 356193328 /nfs/dbraw/zinc/19/33/28/356193328.db2.gz QOGBOUVVBMJMQH-DTWKUNHWSA-N 0 3 202.273 0.945 20 0 BCADHN CNC(=O)[C@H]1CCCN1CC[C@@H](C)F ZINC000351911127 356193732 /nfs/dbraw/zinc/19/37/32/356193732.db2.gz QOGBOUVVBMJMQH-RKDXNWHRSA-N 0 3 202.273 0.945 20 0 BCADHN C[C@H](CF)NC(=O)NC[C@@H]1CCCN1C ZINC000351911604 356195901 /nfs/dbraw/zinc/19/59/01/356195901.db2.gz YWSHTZDRKRVPKM-BDAKNGLRSA-N 0 3 217.288 0.738 20 0 BCADHN C[C@@H]1CN(c2cncc(-n3cccn3)n2)CCN1 ZINC000420236583 192181661 /nfs/dbraw/zinc/18/16/61/192181661.db2.gz KULYVZLDVWULTQ-SNVBAGLBSA-N 0 3 244.302 0.460 20 0 BCADHN C[C@@H](C(=O)NC/C=C\CO)N1[C@H](C)CC[C@@H]1C ZINC000617689765 356280838 /nfs/dbraw/zinc/28/08/38/356280838.db2.gz QDIPQPXAVUAXGG-LNDCSFGSSA-N 0 3 240.347 0.912 20 0 BCADHN CCn1cnc2c1ncnc2N1CCNC[C@H]1C ZINC000420219203 192194342 /nfs/dbraw/zinc/19/43/42/192194342.db2.gz PKJMBHZJFNAGCD-SECBINFHSA-N 0 3 246.318 0.644 20 0 BCADHN [NH3+][C@@H]1CCC[C@H](CN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000420268971 192182462 /nfs/dbraw/zinc/18/24/62/192182462.db2.gz AVZUENSNWQVVTL-DTWKUNHWSA-N 0 3 246.318 0.656 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCNC(=O)CC1 ZINC000639473387 356265884 /nfs/dbraw/zinc/26/58/84/356265884.db2.gz BVCMVXJKFPXVBQ-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN COCc1nc(C)cc(N2CCN[C@H](C)C2)n1 ZINC000420239054 192183218 /nfs/dbraw/zinc/18/32/18/192183218.db2.gz LUTUPYAUXHQYCP-SNVBAGLBSA-N 0 3 236.319 0.730 20 0 BCADHN [NH3+][C@H]1CCC[C@H](CN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000420268977 192183397 /nfs/dbraw/zinc/18/33/97/192183397.db2.gz AVZUENSNWQVVTL-IUCAKERBSA-N 0 3 246.318 0.656 20 0 BCADHN CCN(CCO)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000639475456 356269713 /nfs/dbraw/zinc/26/97/13/356269713.db2.gz YNAIOJKKZUFGHC-VXGBXAGGSA-N 0 3 231.336 0.213 20 0 BCADHN CCN(CCO)C[C@H]1CCc2ncnn21 ZINC000639475390 356269828 /nfs/dbraw/zinc/26/98/28/356269828.db2.gz WMHRSXQNAAFQAT-SECBINFHSA-N 0 3 210.281 0.080 20 0 BCADHN C[C@@H]1CN(c2nccnc2OC(F)F)CCN1 ZINC000420245077 192185570 /nfs/dbraw/zinc/18/55/70/192185570.db2.gz RUHCPAZSDUHIDP-SSDOTTSWSA-N 0 3 244.245 0.876 20 0 BCADHN O=C(NC/C=C/CO)[C@H]1CCCN1C1CC1 ZINC000617684392 356282295 /nfs/dbraw/zinc/28/22/95/356282295.db2.gz VQGOVNOTPJCMQG-FMBMQGQPSA-N 0 3 224.304 0.278 20 0 BCADHN CC[C@H]1CCN1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336123150 134092280 /nfs/dbraw/zinc/09/22/80/134092280.db2.gz OTEUSVZVCXFQHI-QWRGUYRKSA-N 0 3 246.376 0.752 20 0 BCADHN CN(C[C@H]1CCc2ncnn21)[C@H]1CCOC1 ZINC000639483652 356298673 /nfs/dbraw/zinc/29/86/73/356298673.db2.gz WWCYTVPBQAMPDG-ZJUUUORDSA-N 0 3 222.292 0.486 20 0 BCADHN CCN1CCN(Cc2cn[nH]c2C)[C@H](C)C1=O ZINC000336269249 356327806 /nfs/dbraw/zinc/32/78/06/356327806.db2.gz ZSNFYFZCXUVYBW-SNVBAGLBSA-N 0 3 236.319 0.771 20 0 BCADHN COC(=O)CCN1CCNC[C@H]1c1cccnc1 ZINC000420302771 192206811 /nfs/dbraw/zinc/20/68/11/192206811.db2.gz BYLVLDPJWPVIAC-LBPRGKRZSA-N 0 3 249.314 0.591 20 0 BCADHN CN(CC(C)(C)O)[C@@H]1CCN(C2CCC2)C1=O ZINC000639490880 356308460 /nfs/dbraw/zinc/30/84/60/356308460.db2.gz VUVNHBCOGDZAFW-LLVKDONJSA-N 0 3 240.347 0.843 20 0 BCADHN CCN1CCC(NC(=O)C2CC(C)(O)C2)CC1 ZINC000336231762 356315463 /nfs/dbraw/zinc/31/54/63/356315463.db2.gz YNAJRAOMRRBGJD-UHFFFAOYSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)[C@H](C(=O)N(C)C[C@H](O)C1CC1)N(C)C ZINC000087557951 491090261 /nfs/dbraw/zinc/09/02/61/491090261.db2.gz FGFGSKOMNDWZBP-NWDGAFQWSA-N 0 3 242.363 0.802 20 0 BCADHN CCCC[C@H](C)N(C)CC(=O)NCC(=O)OC ZINC000352398806 356337835 /nfs/dbraw/zinc/33/78/35/356337835.db2.gz PWANENMICHOHDE-JTQLQIEISA-N 0 3 244.335 0.786 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCN2C(=O)NC[C@@H]2C1 ZINC000639513560 356351457 /nfs/dbraw/zinc/35/14/57/356351457.db2.gz HDPSDYBNFPVZNB-HBNTYKKESA-N 0 3 239.319 0.121 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCN(C)C(=O)C1(C)C ZINC000639514079 356351904 /nfs/dbraw/zinc/35/19/04/356351904.db2.gz NRQWBQKLZNHEBC-WDEREUQCSA-N 0 3 240.347 0.964 20 0 BCADHN COC(=O)CCN1CCNC[C@@H]1c1cccnc1 ZINC000420302770 192207973 /nfs/dbraw/zinc/20/79/73/192207973.db2.gz BYLVLDPJWPVIAC-GFCCVEGCSA-N 0 3 249.314 0.591 20 0 BCADHN CN(C[C@H]1CC(C)(C)CO1)CC(C)(CO)CO ZINC000639520036 356364296 /nfs/dbraw/zinc/36/42/96/356364296.db2.gz QWLKYUSOLQUAKW-LLVKDONJSA-N 0 3 245.363 0.724 20 0 BCADHN NC(=O)[C@@H]1CCN(Cc2ccncc2)C1 ZINC000154969168 181270434 /nfs/dbraw/zinc/27/04/34/181270434.db2.gz QKZJFACAWCYVMI-SNVBAGLBSA-N 0 3 205.261 0.389 20 0 BCADHN CC[C@H](NCCC(C)(C)C(=O)OC)C(=O)NC ZINC000449767554 202028163 /nfs/dbraw/zinc/02/81/63/202028163.db2.gz ANQIZNUTNJBIEK-VIFPVBQESA-N 0 3 244.335 0.690 20 0 BCADHN CCN(Cc1cnn(C)c1C)C[C@@H](C)O ZINC000352188150 134099455 /nfs/dbraw/zinc/09/94/55/134099455.db2.gz WSZPUEZBBGEYOO-SECBINFHSA-N 0 3 211.309 0.931 20 0 BCADHN CCN1CCN(C[C@@H](O)CSC)[C@@H](C)C1 ZINC000352664215 356400270 /nfs/dbraw/zinc/40/02/70/356400270.db2.gz BOHCMGYKWAZXNP-WDEREUQCSA-N 0 3 232.393 0.736 20 0 BCADHN CCN1CCN(C[C@@H](O)C(F)(F)F)[C@@H](C)C1 ZINC000352665876 356400724 /nfs/dbraw/zinc/40/07/24/356400724.db2.gz GESZVWWORNLQIU-DTWKUNHWSA-N 0 3 240.269 0.936 20 0 BCADHN CCN1CCN(CCOCCOC)[C@@H](C)C1 ZINC000352658816 356397543 /nfs/dbraw/zinc/39/75/43/356397543.db2.gz KJOJMQMGENVMQM-LBPRGKRZSA-N 0 3 230.352 0.675 20 0 BCADHN CCCCNC(=O)[C@H](C)N(CC)C[C@H](C)O ZINC000352194201 134098467 /nfs/dbraw/zinc/09/84/67/134098467.db2.gz IPQFPRAKVBIDBP-QWRGUYRKSA-N 0 3 230.352 0.994 20 0 BCADHN CCN1CCN(CCc2cncn2C)C[C@@H]1C ZINC000639546114 356410295 /nfs/dbraw/zinc/41/02/95/356410295.db2.gz CEABSKLGTVJRHN-LBPRGKRZSA-N 0 3 236.363 0.989 20 0 BCADHN Cn1cncc1CCN1CCc2n[nH]cc2C1 ZINC000639549720 356418168 /nfs/dbraw/zinc/41/81/68/356418168.db2.gz SKNSJHMFUZXQBO-UHFFFAOYSA-N 0 3 231.303 0.744 20 0 BCADHN CNCCN(C)S(=O)(=O)CCC1(C)CC1 ZINC000420430567 192242291 /nfs/dbraw/zinc/24/22/91/192242291.db2.gz DLBPVESAVQTAOH-UHFFFAOYSA-N 0 3 234.365 0.658 20 0 BCADHN CCN1CCN(CCC(=O)NC)[C@@H](C)C1 ZINC000352673478 356401440 /nfs/dbraw/zinc/40/14/40/356401440.db2.gz NKYUAQCZHRPGIO-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN CCN1CCN(C[C@@H](O)COC)[C@@H](C)C1 ZINC000352668972 356401676 /nfs/dbraw/zinc/40/16/76/356401676.db2.gz WFOUQYLDXKBEJJ-WDEREUQCSA-N 0 3 216.325 0.020 20 0 BCADHN CCN1CCN(C[C@H](O)COC)[C@@H](C)C1 ZINC000352668971 356402064 /nfs/dbraw/zinc/40/20/64/356402064.db2.gz WFOUQYLDXKBEJJ-QWRGUYRKSA-N 0 3 216.325 0.020 20 0 BCADHN CCc1cc(=O)[n-]c(CN(C)CC[NH3+])n1 ZINC000420377368 192232805 /nfs/dbraw/zinc/23/28/05/192232805.db2.gz KUACHCPKQHDSLY-UHFFFAOYSA-N 0 3 210.281 0.135 20 0 BCADHN CCN1CCN(CCc2cncn2C)C[C@H]1C ZINC000639546113 356409356 /nfs/dbraw/zinc/40/93/56/356409356.db2.gz 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CCC[C@@H](O)CN1CCCC[C@H]1C(=O)NC ZINC000450337688 202133198 /nfs/dbraw/zinc/13/31/98/202133198.db2.gz GZIFJNKKXXUONA-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN CCOC[C@@H](C)N[C@@H](CCO)COC ZINC000168054123 134155651 /nfs/dbraw/zinc/15/56/51/134155651.db2.gz LXYPNOLFXXGBKA-ZJUUUORDSA-N 0 3 205.298 0.398 20 0 BCADHN CCCN(CCC(=O)N(C)CC)CC(=O)NC ZINC000130195064 325023183 /nfs/dbraw/zinc/02/31/83/325023183.db2.gz VIEMJEBCCYEBSC-UHFFFAOYSA-N 0 3 243.351 0.313 20 0 BCADHN CCn1nncc1CNC[C@H]1CCCN1C ZINC000623634990 366315904 /nfs/dbraw/zinc/31/59/04/366315904.db2.gz MLMWCABCXZSNOZ-SNVBAGLBSA-N 0 3 223.324 0.482 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Cc1ccco1 ZINC000346229289 538504168 /nfs/dbraw/zinc/50/41/68/538504168.db2.gz SGBIFQOGZCSPDT-VIFPVBQESA-N 0 3 210.277 0.888 20 0 BCADHN COCCN(C)C[C@H](O)CN1C[C@H](C)[C@@H]1C ZINC000578140199 366319655 /nfs/dbraw/zinc/31/96/55/366319655.db2.gz BYHRTRNWHNQTPA-SRVKXCTJSA-N 0 3 230.352 0.266 20 0 BCADHN CN(C)CC(=O)N1C[C@H](N)Cc2ccccc21 ZINC000167952947 134154960 /nfs/dbraw/zinc/15/49/60/134154960.db2.gz XLJURKVNOKLVBE-LLVKDONJSA-N 0 3 233.315 0.465 20 0 BCADHN CCC[C@@H](O)CN1CCN(CCOCC)CC1 ZINC000450360411 202143434 /nfs/dbraw/zinc/14/34/34/202143434.db2.gz BBQIVBGJFVJRFH-CYBMUJFWSA-N 0 3 244.379 0.802 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCN2CCC[C@@H]2C1 ZINC000450377331 202147460 /nfs/dbraw/zinc/14/74/60/202147460.db2.gz IYHXUPKHRSQTCW-VXGBXAGGSA-N 0 3 226.320 0.106 20 0 BCADHN CN(CCN1CCCC1)C(=O)C(C)(C)CO ZINC000582250279 356683499 /nfs/dbraw/zinc/68/34/99/356683499.db2.gz MVFVBXZJPINYIK-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN CCOCCN(CC)C[C@@H]1COCCO1 ZINC000450390288 202150509 /nfs/dbraw/zinc/15/05/09/202150509.db2.gz LRROQEQACZJXKM-LLVKDONJSA-N 0 3 217.309 0.760 20 0 BCADHN CC(=O)CN[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000639766979 356696581 /nfs/dbraw/zinc/69/65/81/356696581.db2.gz SGNKCEGQXXDRMB-RYUDHWBXSA-N 0 3 241.331 0.875 20 0 BCADHN CC(=O)CN[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000639766977 356697199 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BCADHN CCOC(=O)C[C@@H](O)CN(C)CCCCO ZINC000384868140 356788946 /nfs/dbraw/zinc/78/89/46/356788946.db2.gz RGVDCWZRIJLVPH-SNVBAGLBSA-N 0 3 233.308 0.005 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)CCCCO ZINC000384868139 356789210 /nfs/dbraw/zinc/78/92/10/356789210.db2.gz RGVDCWZRIJLVPH-JTQLQIEISA-N 0 3 233.308 0.005 20 0 BCADHN CC[C@@H](OC)C(=O)N(CCN(C)C)C1CC1 ZINC000356277114 356792322 /nfs/dbraw/zinc/79/23/22/356792322.db2.gz JOJYZZHJVXBARP-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CC1(C)CO[C@@H](CN2CCC(O)(CO)CC2)C1 ZINC000639815090 356795824 /nfs/dbraw/zinc/79/58/24/356795824.db2.gz XBVXHJCRYBGNBC-LLVKDONJSA-N 0 3 243.347 0.621 20 0 BCADHN C[C@@H](C(N)=O)N1CCC[C@H](n2ccnn2)CC1 ZINC000639817384 356797801 /nfs/dbraw/zinc/79/78/01/356797801.db2.gz XEEJNZFKTBWVBC-UWVGGRQHSA-N 0 3 237.307 0.179 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@H](n2ccnn2)CC1 ZINC000639817386 356797829 /nfs/dbraw/zinc/79/78/29/356797829.db2.gz XEEJNZFKTBWVBC-ZJUUUORDSA-N 0 3 237.307 0.179 20 0 BCADHN C[C@@]12COC[C@H]1CN(CCc1cnccn1)C2 ZINC000639824367 356804952 /nfs/dbraw/zinc/80/49/52/356804952.db2.gz JLEVPBVLKHHERU-DGCLKSJQSA-N 0 3 233.315 0.987 20 0 BCADHN C[C@]12COC[C@@H]1CN(CCc1cnccn1)C2 ZINC000639824366 356804972 /nfs/dbraw/zinc/80/49/72/356804972.db2.gz JLEVPBVLKHHERU-AAEUAGOBSA-N 0 3 233.315 0.987 20 0 BCADHN Cc1ccc(CNCCN2CC[C@@H](O)C2)nc1 ZINC000623758936 356818550 /nfs/dbraw/zinc/81/85/50/356818550.db2.gz SWBXJXPXZHMZPG-CYBMUJFWSA-N 0 3 235.331 0.546 20 0 BCADHN c1cnc(CCN2CC[C@@H]3COC[C@H]3C2)cn1 ZINC000639861689 356868098 /nfs/dbraw/zinc/86/80/98/356868098.db2.gz BYURPGRONRXJGP-VXGBXAGGSA-N 0 3 233.315 0.987 20 0 BCADHN CC[C@@H](O)CCNC(=O)N[C@H](C)CN(C)C ZINC000358501033 356870140 /nfs/dbraw/zinc/87/01/40/356870140.db2.gz NFEXXCTZIULIQY-NXEZZACHSA-N 0 3 231.340 0.397 20 0 BCADHN CCN1CCN(C(=O)N[C@H](C)CN(C)C)CC1 ZINC000358519845 356870651 /nfs/dbraw/zinc/87/06/51/356870651.db2.gz GRRXVFIPSXWBQY-LLVKDONJSA-N 0 3 242.367 0.284 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000385034691 356871210 /nfs/dbraw/zinc/87/12/10/356871210.db2.gz YQBCTJHWFKVFLU-XFWSIPNHSA-N 0 3 246.376 0.749 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C)c2nccn2c1 ZINC000623370292 356872719 /nfs/dbraw/zinc/87/27/19/356872719.db2.gz DQSPEOUWTWZMRI-UHFFFAOYSA-N 0 3 246.314 0.934 20 0 BCADHN CC(C)(C)OCCN1C[C@@H](O)C[C@@]1(C)CO ZINC000639847926 356844977 /nfs/dbraw/zinc/84/49/77/356844977.db2.gz DLNFCOPXRHARBF-JQWIXIFHSA-N 0 3 231.336 0.619 20 0 BCADHN Cc1cc(CN2C[C@@H](O)C[C@]2(C)CO)ccn1 ZINC000639847966 356845154 /nfs/dbraw/zinc/84/51/54/356845154.db2.gz IYDVNVZSMRTOKG-QWHCGFSZSA-N 0 3 236.315 0.708 20 0 BCADHN CCCCOCCN1C[C@H](O)C[C@@]1(C)CO ZINC000639851689 356852058 /nfs/dbraw/zinc/85/20/58/356852058.db2.gz OVRGVPJKZOITGE-NEPJUHHUSA-N 0 3 231.336 0.621 20 0 BCADHN Cc1cnn(CCN2C[C@@H](O)C[C@@]2(C)CO)c1 ZINC000639850864 356854703 /nfs/dbraw/zinc/85/47/03/356854703.db2.gz XRWJYGQPOKWEBP-RYUDHWBXSA-N 0 3 239.319 0.009 20 0 BCADHN C[C@]1(CO)C[C@H](O)CN1CCOCC(F)F ZINC000639851173 356854916 /nfs/dbraw/zinc/85/49/16/356854916.db2.gz ZJYYPFNSUSKIND-WCBMZHEXSA-N 0 3 239.262 0.086 20 0 BCADHN Cc1ncccc1CN1C[C@H](O)C[C@@]1(C)CO ZINC000639851007 356854945 /nfs/dbraw/zinc/85/49/45/356854945.db2.gz YGLDAMJBLYSMSQ-OLZOCXBDSA-N 0 3 236.315 0.708 20 0 BCADHN Cc1ccncc1CN1C[C@@H](O)C[C@@]1(C)CO ZINC000639855631 356860532 /nfs/dbraw/zinc/86/05/32/356860532.db2.gz WBFIGGKOOHYCBX-STQMWFEESA-N 0 3 236.315 0.708 20 0 BCADHN CC[C@@H](NC[C@H]1COCCO1)c1cnn(C)c1 ZINC000358226380 356862956 /nfs/dbraw/zinc/86/29/56/356862956.db2.gz SUDJOFALIZKXPQ-NWDGAFQWSA-N 0 3 239.319 0.876 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC[C@H](F)C2)C1 ZINC000655126918 538727517 /nfs/dbraw/zinc/72/75/17/538727517.db2.gz DMMRPXONGDXNHH-ZJUUUORDSA-N 0 3 214.284 0.899 20 0 BCADHN CCN1C(=O)[C@H]2CN(CC(C)C)CCN2C1=O ZINC000369473492 356908257 /nfs/dbraw/zinc/90/82/57/356908257.db2.gz WREQUNDNTRRIRJ-SNVBAGLBSA-N 0 3 239.319 0.611 20 0 BCADHN CC(C)CC[C@H](O)CN(CCO)CCO ZINC000361261223 356923386 /nfs/dbraw/zinc/92/33/86/356923386.db2.gz QACVRLPPDSCEGH-NSHDSACASA-N 0 3 219.325 0.070 20 0 BCADHN CC[C@H](Cn1cncn1)NCc1cncn1C ZINC000353577716 538748449 /nfs/dbraw/zinc/74/84/49/538748449.db2.gz PWGCYJOEBOGWAO-SNVBAGLBSA-N 0 3 234.307 0.580 20 0 BCADHN CC(C)CC[C@H](O)CN1CC[C@H](O)C1 ZINC000361274005 356924379 /nfs/dbraw/zinc/92/43/79/356924379.db2.gz PWLYDRWABNLSHU-QWRGUYRKSA-N 0 3 201.310 0.850 20 0 BCADHN CC(C)CC[C@H](O)CN1C[C@H](O)C[C@H]1CO ZINC000361315400 356926439 /nfs/dbraw/zinc/92/64/39/356926439.db2.gz KCSVKYJTAKOXEL-SDDRHHMPSA-N 0 3 231.336 0.211 20 0 BCADHN CCC[C@@H](O)CN[C@@](C)(COC)CC(=O)OC ZINC000450576688 202200609 /nfs/dbraw/zinc/20/06/09/202200609.db2.gz AWHHIALDRXQQMK-ZYHUDNBSSA-N 0 3 247.335 0.705 20 0 BCADHN COC(=O)[C@H](NC(=O)CNC(C)C)C(C)C ZINC000040420013 356936202 /nfs/dbraw/zinc/93/62/02/356936202.db2.gz AQFKKGBZKPZTQM-SNVBAGLBSA-N 0 3 230.308 0.298 20 0 BCADHN CC(C)CCOCCN1CC[C@H](CO)[C@H](O)C1 ZINC000582264328 356961109 /nfs/dbraw/zinc/96/11/09/356961109.db2.gz FVLBMKCDSPNJQF-CHWSQXEVSA-N 0 3 245.363 0.724 20 0 BCADHN CC(C)CCOCCN1CC[C@H](CO)[C@@H](O)C1 ZINC000582264329 356961255 /nfs/dbraw/zinc/96/12/55/356961255.db2.gz FVLBMKCDSPNJQF-OLZOCXBDSA-N 0 3 245.363 0.724 20 0 BCADHN CC[C@@H](O)CN1CC[C@@H](n2cncn2)C1 ZINC000368890077 356979275 /nfs/dbraw/zinc/97/92/75/356979275.db2.gz UWYWIJHPAKGOBO-NXEZZACHSA-N 0 3 210.281 0.296 20 0 BCADHN CCOC(=O)COCCN1CCCOC[C@H]1C ZINC000399588073 356981521 /nfs/dbraw/zinc/98/15/21/356981521.db2.gz DTBZVZQIZCSVSW-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN CCN1CCCN(C(=O)CN(C)C(C)C)CC1 ZINC000369170337 356983348 /nfs/dbraw/zinc/98/33/48/356983348.db2.gz AUVPGGOQWARENP-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN O=S1(=O)CC[C@H](N[C@H]2CCSC2)C1 ZINC000019899773 356991706 /nfs/dbraw/zinc/99/17/06/356991706.db2.gz KYGOJPQTEGWAQE-YUMQZZPRSA-N 0 3 221.347 0.269 20 0 BCADHN O=S1(=O)CC[C@H](N[C@@H]2CCSC2)C1 ZINC000019899769 356991730 /nfs/dbraw/zinc/99/17/30/356991730.db2.gz KYGOJPQTEGWAQE-SFYZADRCSA-N 0 3 221.347 0.269 20 0 BCADHN CC[C@@H](O)CCNC(=O)CC1CCN(C)CC1 ZINC000362912481 356950592 /nfs/dbraw/zinc/95/05/92/356950592.db2.gz MEMGJVHAHREPNL-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN CN1CCN(CCCc2ccncc2)[C@H](CO)C1 ZINC000639870736 357029945 /nfs/dbraw/zinc/02/99/45/357029945.db2.gz GUSPMLCUAOPXPS-AWEZNQCLSA-N 0 3 249.358 0.623 20 0 BCADHN CCCCOC[C@H](O)CN1CC[C@H](C)[C@H](O)C1 ZINC000300295026 357037074 /nfs/dbraw/zinc/03/70/74/357037074.db2.gz MBZBVGREGICQCR-YNEHKIRRSA-N 0 3 245.363 0.867 20 0 BCADHN CCCCOC[C@H](O)CN1CCN(C)C[C@H]1C ZINC000300423739 357041476 /nfs/dbraw/zinc/04/14/76/357041476.db2.gz KLQIJUUMPWCDAK-CHWSQXEVSA-N 0 3 244.379 0.800 20 0 BCADHN CC(=O)N1CC(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000582311567 357051479 /nfs/dbraw/zinc/05/14/79/357051479.db2.gz PXEGNHVHSJATNX-IJLUTSLNSA-N 0 3 238.331 0.620 20 0 BCADHN CN1CCN(C[C@H](O)C(C)(C)C)[C@H](CO)C1 ZINC000639867859 357001325 /nfs/dbraw/zinc/00/13/25/357001325.db2.gz PHFYHVKNMXFTRB-QWRGUYRKSA-N 0 3 230.352 0.002 20 0 BCADHN CCO[C@@H](CN1CCN(C)C[C@H]1CO)C1CC1 ZINC000639868160 357004924 /nfs/dbraw/zinc/00/49/24/357004924.db2.gz SBEPVLZGVBBJRK-STQMWFEESA-N 0 3 242.363 0.410 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCCOC[C@H]1C ZINC000399680392 357011218 /nfs/dbraw/zinc/01/12/18/357011218.db2.gz PXIQFYDMAGOHFX-MWLCHTKSSA-N 0 3 231.292 0.021 20 0 BCADHN CCN(CC)C[C@H](C)NS(=O)(=O)N(C)C ZINC000389658291 357012343 /nfs/dbraw/zinc/01/23/43/357012343.db2.gz ZZTQAXMMPOCJOI-VIFPVBQESA-N 0 3 237.369 0.113 20 0 BCADHN COC[C@](C)(O)CNCc1ccc(C)nc1 ZINC000390655693 357110170 /nfs/dbraw/zinc/11/01/70/357110170.db2.gz QOTJMAHUDVWHGC-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000390670038 357110586 /nfs/dbraw/zinc/11/05/86/357110586.db2.gz VETNUHQUJBSKMB-BWZBUEFSSA-N 0 3 236.262 0.389 20 0 BCADHN CC(C)CN1CCCN(C(=O)C(C)(C)O)CC1 ZINC000372891667 357101376 /nfs/dbraw/zinc/10/13/76/357101376.db2.gz NHRDVNOYFXOPDK-UHFFFAOYSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@H](CNS(C)(=O)=O)NCC1(F)CC1 ZINC000582401064 357132836 /nfs/dbraw/zinc/13/28/36/357132836.db2.gz SZPFVIWVQKJSJA-MRVPVSSYSA-N 0 3 238.328 0.406 20 0 BCADHN O=C(CN1CC[C@H](c2nc[nH]n2)C1)NCC1CC1 ZINC000582416938 357139749 /nfs/dbraw/zinc/13/97/49/357139749.db2.gz QOWJKQWXWIQNLJ-JTQLQIEISA-N 0 3 249.318 0.120 20 0 BCADHN Cc1[nH]c(=O)[nH]c1C(=O)NCC1(N(C)C)CC1 ZINC000582430270 357148593 /nfs/dbraw/zinc/14/85/93/357148593.db2.gz SPBMGPJHBFQMIQ-UHFFFAOYSA-N 0 3 238.291 0.248 20 0 BCADHN Cc1nc(CCN[C@@H](C)c2nccn2C)n[nH]1 ZINC000392334404 357149086 /nfs/dbraw/zinc/14/90/86/357149086.db2.gz FXHKDODTFIZIBH-QMMMGPOBSA-N 0 3 234.307 0.740 20 0 BCADHN Cc1n[nH]c(CCN[C@@H](C)c2nccn2C)n1 ZINC000392334404 357149089 /nfs/dbraw/zinc/14/90/89/357149089.db2.gz FXHKDODTFIZIBH-QMMMGPOBSA-N 0 3 234.307 0.740 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)N[C@H](C)CO ZINC000304062894 357157247 /nfs/dbraw/zinc/15/72/47/357157247.db2.gz QZGLYWJLTJZOIZ-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN O=C(CNC1CC1)NCc1ccc(=O)[nH]c1 ZINC000392642201 357167565 /nfs/dbraw/zinc/16/75/65/357167565.db2.gz POBRFNRPCCCXCU-UHFFFAOYSA-N 0 3 221.260 0.155 20 0 BCADHN O=C(C[C@H]1CNCCO1)N[C@H]1CC=CCC1 ZINC000085620482 357125355 /nfs/dbraw/zinc/12/53/55/357125355.db2.gz WRTNBJPDEFUFHY-QWRGUYRKSA-N 0 3 224.304 0.590 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@H]1CC=CCC1 ZINC000085620473 357125606 /nfs/dbraw/zinc/12/56/06/357125606.db2.gz WRTNBJPDEFUFHY-WDEREUQCSA-N 0 3 224.304 0.590 20 0 BCADHN CCCCN(C)CCNC(=O)CCCCO ZINC000631257230 357197686 /nfs/dbraw/zinc/19/76/86/357197686.db2.gz XPAWGPYYYMTQHH-UHFFFAOYSA-N 0 3 230.352 0.997 20 0 BCADHN O[C@@H]1CCOC[C@H]1NCc1cnc2ccccn12 ZINC000631257748 357212591 /nfs/dbraw/zinc/21/25/91/357212591.db2.gz FYICIMKXYRNHKV-VXGBXAGGSA-N 0 3 247.298 0.574 20 0 BCADHN O[C@H]1CN(Cc2cccc3c2CCOC3)C[C@@H]1O ZINC000639891533 357212830 /nfs/dbraw/zinc/21/28/30/357212830.db2.gz ZSXYAVOIQYGXBX-KBPBESRZSA-N 0 3 249.310 0.297 20 0 BCADHN Cc1ccnc(CNC[C@@H](O)Cn2cccn2)c1 ZINC000392765663 357220755 /nfs/dbraw/zinc/22/07/55/357220755.db2.gz ODZCZKYHBLSQDD-CYBMUJFWSA-N 0 3 246.314 0.737 20 0 BCADHN O[C@@H]1CCOC[C@H]1NCc1ccccc1 ZINC000631258775 357227934 /nfs/dbraw/zinc/22/79/34/357227934.db2.gz YDECPSVXZIJJJE-VXGBXAGGSA-N 0 3 207.273 0.926 20 0 BCADHN O[C@H]1CN(Cc2ccc3cnccc3c2)C[C@@H]1O ZINC000628415139 357232732 /nfs/dbraw/zinc/23/27/32/357232732.db2.gz KSWSFOOSVWSIIP-KBPBESRZSA-N 0 3 244.294 0.772 20 0 BCADHN C[C@@H]1C[C@@H](NC2CN(c3ccncn3)C2)[C@H](C)O1 ZINC000631256447 357175368 /nfs/dbraw/zinc/17/53/68/357175368.db2.gz FARDUWQPKJNADY-JFGNBEQYSA-N 0 3 248.330 0.821 20 0 BCADHN CNC(=O)C[C@@H](C)N[C@H]1CCC[C@H]1F ZINC000393444929 357309165 /nfs/dbraw/zinc/30/91/65/357309165.db2.gz RLLAAGHPRWNIOK-HLTSFMKQSA-N 0 3 202.273 0.991 20 0 BCADHN CN[C@@H](C)C(=O)NCCC(=O)OC(C)C ZINC000583703921 357283542 /nfs/dbraw/zinc/28/35/42/357283542.db2.gz NZQDXPCKBQWRCO-QMMMGPOBSA-N 0 3 216.281 0.052 20 0 BCADHN C[C@H](O)CC(C)(C)CNC(=O)C1(N)CCC1 ZINC000393593939 357288686 /nfs/dbraw/zinc/28/86/86/357288686.db2.gz AYKQQBBPPAAQKM-VIFPVBQESA-N 0 3 228.336 0.781 20 0 BCADHN CS(=O)(=O)C1(CNCC2(O)CCCC2)CC1 ZINC000393695711 357293432 /nfs/dbraw/zinc/29/34/32/357293432.db2.gz DRJWVUZYRAZYCA-UHFFFAOYSA-N 0 3 247.360 0.458 20 0 BCADHN CS[C@H](C)CC(=O)NC[C@H]1CNCCO1 ZINC000578197019 366383110 /nfs/dbraw/zinc/38/31/10/366383110.db2.gz ZYXLAMYMNORMMD-RKDXNWHRSA-N 0 3 232.349 0.233 20 0 BCADHN CN(C)CCSCC1(CO)COC1 ZINC000379414504 357266573 /nfs/dbraw/zinc/26/65/73/357266573.db2.gz OFJJIWQUOVCXBB-UHFFFAOYSA-N 0 3 205.323 0.290 20 0 BCADHN CN1CCC[C@@H](CNC(=O)COC(F)F)C1 ZINC000582477900 357316335 /nfs/dbraw/zinc/31/63/35/357316335.db2.gz VNZNLEDDDHMYKK-QMMMGPOBSA-N 0 3 236.262 0.684 20 0 BCADHN C[C@@H]1CN(c2ncnc3n[nH]cc32)[C@H](C)CN1 ZINC000033643464 357328150 /nfs/dbraw/zinc/32/81/50/357328150.db2.gz JVCBYGYYTZRSAT-HTQZYQBOSA-N 0 3 232.291 0.540 20 0 BCADHN C[C@@H](NC(=O)CN)c1ccc(-n2ccnn2)cc1 ZINC000582667203 357358553 /nfs/dbraw/zinc/35/85/53/357358553.db2.gz 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0 BCADHN CNCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000582784108 357392283 /nfs/dbraw/zinc/39/22/83/357392283.db2.gz GOVIOPGRKQKNGP-UHFFFAOYSA-N 0 3 235.287 0.327 20 0 BCADHN CNC(=O)CCCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000582846345 357412075 /nfs/dbraw/zinc/41/20/75/357412075.db2.gz FVDFBCSDRWXYDW-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@@H](N)C(=O)N1CCc2ccncc21 ZINC000582965201 357438268 /nfs/dbraw/zinc/43/82/68/357438268.db2.gz JDFVEPALYAGPIP-SECBINFHSA-N 0 3 205.261 0.708 20 0 BCADHN CN(C(=O)Cn1cc2c(n1)[C@H](N)CCC2)C1CC1 ZINC000582959245 357438800 /nfs/dbraw/zinc/43/88/00/357438800.db2.gz GCJSFKKJYMGGGT-LLVKDONJSA-N 0 3 248.330 0.840 20 0 BCADHN CO[C@@H](CN1CCC[C@@]12CCNC2=O)C1CC1 ZINC000583152562 357496458 /nfs/dbraw/zinc/49/64/58/357496458.db2.gz XXPBAILGKVABLL-AAEUAGOBSA-N 0 3 238.331 0.766 20 0 BCADHN CN(CCN1CCCC1)C(=O)Cn1ccnc1 ZINC000073377881 357447993 /nfs/dbraw/zinc/44/79/93/357447993.db2.gz NOKGQNZZXLYXQD-UHFFFAOYSA-N 0 3 236.319 0.437 20 0 BCADHN CCc1cnc(CN2C[C@H](O)[C@@H](N(C)C)C2)o1 ZINC000582973108 357448880 /nfs/dbraw/zinc/44/88/80/357448880.db2.gz OBTRKQYGQXQWMF-QWRGUYRKSA-N 0 3 239.319 0.344 20 0 BCADHN Cc1nc(NC(=O)CN2CC[C@@H](C)C2)n[nH]1 ZINC000582973274 357448981 /nfs/dbraw/zinc/44/89/81/357448981.db2.gz UEVNWWQVMAGVKH-SSDOTTSWSA-N 0 3 223.280 0.393 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CC[C@@H](c2cccnc2)C1 ZINC000583022071 357451158 /nfs/dbraw/zinc/45/11/58/357451158.db2.gz SFLCCUPJRGQNSY-FRRDWIJNSA-N 0 3 234.299 0.631 20 0 BCADHN C[C@@H](CNCC[C@H]1CCCCO1)S(C)(=O)=O ZINC000583020680 357451265 /nfs/dbraw/zinc/45/12/65/357451265.db2.gz STWZJWGUCBKZDH-WDEREUQCSA-N 0 3 249.376 0.968 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)CNC[C@H]2CCCO2)CO1 ZINC000583085464 357475332 /nfs/dbraw/zinc/47/53/32/357475332.db2.gz FHNWTRNEJFAASE-GMTAPVOTSA-N 0 3 242.319 0.049 20 0 BCADHN CC1(C)C[C@H](N[C@H]2CCCNC2=O)CO1 ZINC000396796391 357483917 /nfs/dbraw/zinc/48/39/17/357483917.db2.gz FGRBNFGNSJCPRP-IUCAKERBSA-N 0 3 212.293 0.422 20 0 BCADHN CC[C@H](N)C(=O)N1CCc2n[nH]cc2C1 ZINC000396825012 357484266 /nfs/dbraw/zinc/48/42/66/357484266.db2.gz ZVQLCKKEONKRMY-QMMMGPOBSA-N 0 3 208.265 0.032 20 0 BCADHN CC1(C)C[C@@H](NCC2(S(C)(=O)=O)CC2)CO1 ZINC000396847754 357485732 /nfs/dbraw/zinc/48/57/32/357485732.db2.gz HZWFIELJSZJUMI-SECBINFHSA-N 0 3 247.360 0.721 20 0 BCADHN COC[C@@H](O)CNCc1cnc(C)cc1C ZINC000397029243 357490107 /nfs/dbraw/zinc/49/01/07/357490107.db2.gz OZQLBVQIACSSRX-LBPRGKRZSA-N 0 3 224.304 0.795 20 0 BCADHN Cc1cc(CC(=O)N2CCN3CCC2CC3)[nH]n1 ZINC000188609352 357567699 /nfs/dbraw/zinc/56/76/99/357567699.db2.gz CTYPXSGQZWXHGQ-UHFFFAOYSA-N 0 3 248.330 0.567 20 0 BCADHN CC1(C)[C@@H]2CN(C(=O)[C@H]3C[C@H](F)CN3)C[C@@H]21 ZINC000188626215 357568206 /nfs/dbraw/zinc/56/82/06/357568206.db2.gz MTABQBVYOCQZKB-AXTSPUMRSA-N 0 3 226.295 0.801 20 0 BCADHN CN(C[C@H]1CCOC1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188655128 357570084 /nfs/dbraw/zinc/57/00/84/357570084.db2.gz BKZOLWIBEPKOEZ-KXUCPTDWSA-N 0 3 230.283 0.181 20 0 BCADHN Cn1ccc(CCNCc2ccnn2C)n1 ZINC000230880175 357575724 /nfs/dbraw/zinc/57/57/24/357575724.db2.gz LCPRBOCYPYDVCO-UHFFFAOYSA-N 0 3 219.292 0.486 20 0 BCADHN Cc1n[nH]cc1CNCCc1ccn(C)n1 ZINC000230880875 357575850 /nfs/dbraw/zinc/57/58/50/357575850.db2.gz AXTACOSTNOUFEK-UHFFFAOYSA-N 0 3 219.292 0.784 20 0 BCADHN C[C@]1(O)CCCN([C@@H]2CCCCNC2=O)CC1 ZINC000230379870 357532150 /nfs/dbraw/zinc/53/21/50/357532150.db2.gz NKUFGWJBTSTJLL-YPMHNXCESA-N 0 3 240.347 0.892 20 0 BCADHN CC1CCC(CNC(=O)C(=O)NCCN)CC1 ZINC000063144317 357534066 /nfs/dbraw/zinc/53/40/66/357534066.db2.gz INRDNNOAOAXZGM-UHFFFAOYSA-N 0 3 241.335 0.004 20 0 BCADHN C[C@@H]1CN(CCc2cnn(C)c2)CC[C@@H]1O ZINC000230667473 357547334 /nfs/dbraw/zinc/54/73/34/357547334.db2.gz GVVLMLZUFLCTMH-PWSUYJOCSA-N 0 3 223.320 0.665 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H]2C[C@H](F)CN2)C[C@H](C)O1 ZINC000188440514 357554215 /nfs/dbraw/zinc/55/42/15/357554215.db2.gz VWOVUOQYQFCIAR-XWLWVQCSSA-N 0 3 244.310 0.712 20 0 BCADHN CCOC(=O)[C@@H](C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188576614 357562594 /nfs/dbraw/zinc/56/25/94/357562594.db2.gz RCUJBAGMKNOFDL-XHNCKOQMSA-N 0 3 246.282 0.002 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C(=O)N(C)CC ZINC000231854255 357627031 /nfs/dbraw/zinc/62/70/31/357627031.db2.gz JMHQFTXAKBVXSW-AEJSXWLSSA-N 0 3 243.351 0.343 20 0 BCADHN COC[C@@H](CNCc1cncc(F)c1)OC ZINC000230942316 357585187 /nfs/dbraw/zinc/58/51/87/357585187.db2.gz YIRZFCGHJFIGHV-LLVKDONJSA-N 0 3 228.267 0.972 20 0 BCADHN CCCCNC(=O)CN[C@@H](CCO)C(C)C ZINC000231040790 357596805 /nfs/dbraw/zinc/59/68/05/357596805.db2.gz ZLMGEJCBFNQGEJ-NSHDSACASA-N 0 3 230.352 0.899 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H](C)C(C)(C)O ZINC000083728426 491112657 /nfs/dbraw/zinc/11/26/57/491112657.db2.gz PNCUUSMLTBPUNX-HTQZYQBOSA-N 0 3 223.338 0.169 20 0 BCADHN CCOC[C@@H](O)CNC(C)(C)c1cnn(C)c1 ZINC000545292279 325207433 /nfs/dbraw/zinc/20/74/33/325207433.db2.gz FPZFQVCBEWQCEA-NSHDSACASA-N 0 3 241.335 0.642 20 0 BCADHN CCC(CC)(CO)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188976000 357598520 /nfs/dbraw/zinc/59/85/20/357598520.db2.gz MKEVLJKUTDOVLD-VHSXEESVSA-N 0 3 246.326 0.601 20 0 BCADHN CC1CCN(CC(=O)N2CCN[C@H](C)C2)CC1 ZINC000189008208 357600598 /nfs/dbraw/zinc/60/05/98/357600598.db2.gz CPAYLWLZLJLGGS-GFCCVEGCSA-N 0 3 239.363 0.539 20 0 BCADHN COC[C@@H](O)CCNCc1cnn2ccccc12 ZINC000231605770 357611244 /nfs/dbraw/zinc/61/12/44/357611244.db2.gz MIOUKAMRKNPUSP-LBPRGKRZSA-N 0 3 249.314 0.821 20 0 BCADHN CN(C)CCn1cc([C@H]2CCCCN2)nn1 ZINC000685946661 538886210 /nfs/dbraw/zinc/88/62/10/538886210.db2.gz MBWZMLPQRDFDNQ-SNVBAGLBSA-N 0 3 223.324 0.654 20 0 BCADHN CC[C@]1(CO)CCCN1CC(=O)NC1CC1 ZINC000189633917 357650387 /nfs/dbraw/zinc/65/03/87/357650387.db2.gz LHLIDDFXSCWSJW-GFCCVEGCSA-N 0 3 226.320 0.502 20 0 BCADHN COC[C@@H](CNCc1ccc(OC)nc1)OC ZINC000232168207 357652937 /nfs/dbraw/zinc/65/29/37/357652937.db2.gz PNSBHUXCVBJKOX-LLVKDONJSA-N 0 3 240.303 0.841 20 0 BCADHN COCCCNCc1cnn(CCF)c1 ZINC000685948357 538890593 /nfs/dbraw/zinc/89/05/93/538890593.db2.gz KICAJOYOQIMXSH-UHFFFAOYSA-N 0 3 215.272 0.979 20 0 BCADHN C[C@H]1CCN(Cc2cccc(C(N)=O)c2)[C@@H]1CO ZINC000189723088 357664294 /nfs/dbraw/zinc/66/42/94/357664294.db2.gz BWEAKNYLQOWFOK-GXFFZTMASA-N 0 3 248.326 0.988 20 0 BCADHN CCCCNC(=O)CN1CC[C@H](C)[C@@H]1CO ZINC000189724980 357665835 /nfs/dbraw/zinc/66/58/35/357665835.db2.gz XLPMGHRDQPYLMJ-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)CNC(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000232612094 357669548 /nfs/dbraw/zinc/66/95/48/357669548.db2.gz FFPUCVBJCRFKPA-DGCLKSJQSA-N 0 3 240.347 0.916 20 0 BCADHN CC(C)CNC(=O)CN[C@]1(C)CCO[C@@H]1C ZINC000232566583 357671022 /nfs/dbraw/zinc/67/10/22/357671022.db2.gz NDXPJSQAXGOPPP-ZYHUDNBSSA-N 0 3 228.336 0.916 20 0 BCADHN CCN(C)CCNC(=O)CN(CC)C1CC1 ZINC000132430534 325215934 /nfs/dbraw/zinc/21/59/34/325215934.db2.gz UQEOUXLUYNGAQT-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN CCN(CC)CC(=O)NCCNC(=O)C(C)C ZINC000063694054 357715981 /nfs/dbraw/zinc/71/59/81/357715981.db2.gz NDULSISYZSYQIE-UHFFFAOYSA-N 0 3 243.351 0.217 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000233445737 357723170 /nfs/dbraw/zinc/72/31/70/357723170.db2.gz SDWWORBAEOSSTI-ZYHUDNBSSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190832759 357726418 /nfs/dbraw/zinc/72/64/18/357726418.db2.gz SBQHLOPIAYBHOV-UTLUCORTSA-N 0 3 214.309 0.023 20 0 BCADHN CCCNC(=O)CN[C@@H]1C[C@H](OC)C1(C)C ZINC000233040591 357692699 /nfs/dbraw/zinc/69/26/99/357692699.db2.gz ZGBFWULTNARNEB-ZJUUUORDSA-N 0 3 228.336 0.916 20 0 BCADHN CCCNC(=O)CN[C@H]1C[C@@H](OC)C1(C)C ZINC000233043349 357692915 /nfs/dbraw/zinc/69/29/15/357692915.db2.gz ZGBFWULTNARNEB-VHSXEESVSA-N 0 3 228.336 0.916 20 0 BCADHN CCCNC(=O)CN[C@H]1C[C@H](OC)C1(C)C ZINC000233043467 357693153 /nfs/dbraw/zinc/69/31/53/357693153.db2.gz ZGBFWULTNARNEB-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN Cc1ccc([O-])c(CN2CC[NH2+][C@@H](C)C2)n1 ZINC000085973184 357707131 /nfs/dbraw/zinc/70/71/31/357707131.db2.gz KWDVMPHRYSBCER-JTQLQIEISA-N 0 3 221.304 0.889 20 0 BCADHN CCCOCC(=O)N(C)C[C@@H]1CCCN1C ZINC000233221124 357708729 /nfs/dbraw/zinc/70/87/29/357708729.db2.gz REHJJTJYMOJDKN-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN COCCN1CCCN(CC2CC2)CC1=O ZINC000190759002 357731367 /nfs/dbraw/zinc/73/13/67/357731367.db2.gz MOOCSQVNHAPHQV-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN CN1CCCN(CCCCCO)CC1=O ZINC000191093079 357749647 /nfs/dbraw/zinc/74/96/47/357749647.db2.gz HVPDBQSUEMIPTR-UHFFFAOYSA-N 0 3 214.309 0.313 20 0 BCADHN Cc1ncc(C(=O)N2CCNC[C@H]2C(F)F)[nH]1 ZINC000583264368 357756228 /nfs/dbraw/zinc/75/62/28/357756228.db2.gz JXZXMIBIGCLSST-QMMMGPOBSA-N 0 3 244.245 0.397 20 0 BCADHN CSCCN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000191232779 357758957 /nfs/dbraw/zinc/75/89/57/357758957.db2.gz OEBPYIWPQIZLEC-GHMZBOCLSA-N 0 3 232.393 0.736 20 0 BCADHN CCS[C@@H]1CCC[C@@H]1NCC(=O)NC(N)=O ZINC000233983839 357764297 /nfs/dbraw/zinc/76/42/97/357764297.db2.gz NQDRHNNTPOBVIA-JGVFFNPUSA-N 0 3 245.348 0.445 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)[C@H](C)OC)N(C)C ZINC000191456826 357771473 /nfs/dbraw/zinc/77/14/73/357771473.db2.gz PWGPBKIVXWWYND-LPEHRKFASA-N 0 3 216.325 0.866 20 0 BCADHN CCN(C)CCNC(=O)C1(SC)CC1 ZINC000191476317 357773714 /nfs/dbraw/zinc/77/37/14/357773714.db2.gz ZPZWYNORMKYDPG-UHFFFAOYSA-N 0 3 216.350 0.950 20 0 BCADHN CN[C@H](C)C(=O)N[C@H](C)C[C@@H]1CCCO1 ZINC000583273656 357792683 /nfs/dbraw/zinc/79/26/83/357792683.db2.gz XDAYLSQWTJEFIQ-BBBLOLIVSA-N 0 3 214.309 0.668 20 0 BCADHN CN[C@H](C)C(=O)N[C@@H](C)C[C@@H]1CCCO1 ZINC000583273655 357792986 /nfs/dbraw/zinc/79/29/86/357792986.db2.gz XDAYLSQWTJEFIQ-AEJSXWLSSA-N 0 3 214.309 0.668 20 0 BCADHN CN1CC[C@H](N[C@H]2CCO[C@@H]2C2CC2)C1=O ZINC000234366320 357793015 /nfs/dbraw/zinc/79/30/15/357793015.db2.gz WDEBZNKZVUOFMP-GARJFASQSA-N 0 3 224.304 0.374 20 0 BCADHN CCN(CCCOC(C)C)CC(N)=O ZINC000191704842 357800977 /nfs/dbraw/zinc/80/09/77/357800977.db2.gz UPAXICVCQADJRF-UHFFFAOYSA-N 0 3 202.298 0.609 20 0 BCADHN CC(C)(O)CC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000525916624 259473191 /nfs/dbraw/zinc/47/31/91/259473191.db2.gz BFVHJOMYGXSIGF-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)[C@H](C)OC ZINC000191716174 357789701 /nfs/dbraw/zinc/78/97/01/357789701.db2.gz QRIRRECPWHJXLI-CIUDSAMLSA-N 0 3 245.323 0.234 20 0 BCADHN CO[C@@H]1CC[C@@H]2OCCN(C[C@H](C)O)[C@H]2C1 ZINC000192770400 357850943 /nfs/dbraw/zinc/85/09/43/357850943.db2.gz ZZFUCNYMLFIJIU-USZNOCQGSA-N 0 3 229.320 0.636 20 0 BCADHN C[C@@H](O)CN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000192972133 357861950 /nfs/dbraw/zinc/86/19/50/357861950.db2.gz LJNUVRDMNAMYFZ-VXGBXAGGSA-N 0 3 242.363 0.552 20 0 BCADHN Cc1noc(C)c1CNC(=O)[C@H](N)C(C)C ZINC000086110077 357853496 /nfs/dbraw/zinc/85/34/96/357853496.db2.gz ZVFUGNTXIPOPQV-SNVBAGLBSA-N 0 3 225.292 0.891 20 0 BCADHN CC(C)[C@@H](CO)NCC(=O)NC1CCCC1 ZINC000086124401 357854635 /nfs/dbraw/zinc/85/46/35/357854635.db2.gz NEBZJXXBLNTVBG-LLVKDONJSA-N 0 3 228.336 0.652 20 0 BCADHN COC[C@@H](C)OC[C@@H](O)CN1CCCOCC1 ZINC000234754381 357827330 /nfs/dbraw/zinc/82/73/30/357827330.db2.gz DHILSUOOXRNJIQ-NEPJUHHUSA-N 0 3 247.335 0.121 20 0 BCADHN COC[C@@H](C)OC[C@H](O)CN1CCCOCC1 ZINC000234833292 357833779 /nfs/dbraw/zinc/83/37/79/357833779.db2.gz DHILSUOOXRNJIQ-VXGBXAGGSA-N 0 3 247.335 0.121 20 0 BCADHN CCN(CCNC(=O)NC[C@@H](C)O)C1CC1 ZINC000192442667 357834681 /nfs/dbraw/zinc/83/46/81/357834681.db2.gz WQOFQEVYYCLVAS-SECBINFHSA-N 0 3 229.324 0.151 20 0 BCADHN CCC(C)(CC)NC(=O)[C@H](N)CCC(=O)OC ZINC000342754723 535368871 /nfs/dbraw/zinc/36/88/71/535368871.db2.gz SXPIRZVCRWMHTP-SECBINFHSA-N 0 3 244.335 0.962 20 0 BCADHN COC[C@@H](C)OC[C@H](O)CN1CCSCC1 ZINC000234837823 357837554 /nfs/dbraw/zinc/83/75/54/357837554.db2.gz DQNHFEHPHBXKIR-GHMZBOCLSA-N 0 3 249.376 0.448 20 0 BCADHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)N(C)C)C1(C)C ZINC000234862721 357838636 /nfs/dbraw/zinc/83/86/36/357838636.db2.gz QZCUAKGITJHXHH-LPEHRKFASA-N 0 3 228.336 0.866 20 0 BCADHN CCCCC[N@@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192636696 357841907 /nfs/dbraw/zinc/84/19/07/357841907.db2.gz JFEMDOPELVIKDX-GFCCVEGCSA-N 0 3 239.319 0.851 20 0 BCADHN CCCCC[N@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192636696 357841910 /nfs/dbraw/zinc/84/19/10/357841910.db2.gz JFEMDOPELVIKDX-GFCCVEGCSA-N 0 3 239.319 0.851 20 0 BCADHN CN(CCCC(=O)NC(N)=O)Cc1ccco1 ZINC000064431312 357845181 /nfs/dbraw/zinc/84/51/81/357845181.db2.gz XBBKJMGHNPWBID-UHFFFAOYSA-N 0 3 239.275 0.687 20 0 BCADHN C[C@@H]1CN(CCN2CCCO[C@@H](C)C2)CCO1 ZINC000192731430 357848930 /nfs/dbraw/zinc/84/89/30/357848930.db2.gz SBYYJXMYAFOGOP-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN N[C@H](C(=O)NCCN1CC=CCC1)C1CCC1 ZINC000399052733 357894709 /nfs/dbraw/zinc/89/47/09/357894709.db2.gz WCTWMRMGGUWTJN-LBPRGKRZSA-N 0 3 237.347 0.492 20 0 BCADHN CC(C)=CCNC(=O)N1CCCNCC1 ZINC000335593799 535369934 /nfs/dbraw/zinc/36/99/34/535369934.db2.gz AQOPLBPVMHIPPV-UHFFFAOYSA-N 0 3 211.309 0.958 20 0 BCADHN C[C@H](N[C@H]1CCC(=O)NC1)c1ccnn1C ZINC000235515027 357874296 /nfs/dbraw/zinc/87/42/96/357874296.db2.gz ABGHZPVQVBVULP-IUCAKERBSA-N 0 3 222.292 0.349 20 0 BCADHN CNCC(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000193138070 357875759 /nfs/dbraw/zinc/87/57/59/357875759.db2.gz ZCNDBAROYWUWGE-KOLCDFICSA-N 0 3 234.299 0.887 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@H]1NCCCC1(C)C ZINC000235543916 357877770 /nfs/dbraw/zinc/87/77/70/357877770.db2.gz FFQSBHKHSPKEQT-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H]1OCC[C@@]1(C)NCC(=O)N(C)C1CC1 ZINC000235594321 357881222 /nfs/dbraw/zinc/88/12/22/357881222.db2.gz PJDZHWLVJBIHTF-BXKDBHETSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@H](O)CCCNC(=O)[C@H](C)NC1CC1 ZINC000398606688 357887941 /nfs/dbraw/zinc/88/79/41/357887941.db2.gz YNEJDSFYAJGDLX-ONGXEEELSA-N 0 3 228.336 0.794 20 0 BCADHN C[C@@H](O)C[C@H](C)CNC(=O)C1(N)CCC1 ZINC000398629387 357888715 /nfs/dbraw/zinc/88/87/15/357888715.db2.gz KTPIXXMXUBPELO-DTWKUNHWSA-N 0 3 214.309 0.391 20 0 BCADHN C[C@@H](CNC(=O)[C@H](C)NC1CC1)C[C@H](C)O ZINC000398704043 357889348 /nfs/dbraw/zinc/88/93/48/357889348.db2.gz XURICFRTODZCPA-UTLUCORTSA-N 0 3 228.336 0.650 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)[C@H](C)NC1CC1 ZINC000398704038 357889536 /nfs/dbraw/zinc/88/95/36/357889536.db2.gz XURICFRTODZCPA-GUBZILKMSA-N 0 3 228.336 0.650 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)C1CCC1)c1cn[nH]c1 ZINC000399015166 357893392 /nfs/dbraw/zinc/89/33/92/357893392.db2.gz FOZDLGAGLNCEDX-XCBNKYQSSA-N 0 3 222.292 0.714 20 0 BCADHN N[C@H](C(=O)NCC1CCOCC1)C1CCC1 ZINC000399016644 357893679 /nfs/dbraw/zinc/89/36/79/357893679.db2.gz GDDRCETYWDQVTP-NSHDSACASA-N 0 3 226.320 0.657 20 0 BCADHN C[C@@H](NC(=O)[C@H](N)C1CCC1)c1cn[nH]c1 ZINC000399015160 357894178 /nfs/dbraw/zinc/89/41/78/357894178.db2.gz FOZDLGAGLNCEDX-GMSGAONNSA-N 0 3 222.292 0.714 20 0 BCADHN N[C@H](C(=O)NCc1ccc(=O)[nH]c1)C1CCC1 ZINC000399095299 357895958 /nfs/dbraw/zinc/89/59/58/357895958.db2.gz VILVSVRWEOBWQZ-NSHDSACASA-N 0 3 235.287 0.531 20 0 BCADHN N[C@H](C(=O)NCCc1cscn1)C1CCC1 ZINC000399191215 357898728 /nfs/dbraw/zinc/89/87/28/357898728.db2.gz PWKRMTAZWQWYGZ-JTQLQIEISA-N 0 3 239.344 0.929 20 0 BCADHN NC(=O)c1ccc(NC(=O)[C@H](N)C2CCC2)cc1 ZINC000399226604 357898893 /nfs/dbraw/zinc/89/88/93/357898893.db2.gz NHAZRVLMNDVMNI-LLVKDONJSA-N 0 3 247.298 0.851 20 0 BCADHN N[C@@H](C(=O)NCCCn1ccnc1)C1CCC1 ZINC000399256999 357900136 /nfs/dbraw/zinc/90/01/36/357900136.db2.gz NSAFJGVZSJYSCS-LLVKDONJSA-N 0 3 236.319 0.517 20 0 BCADHN Cc1ccc(CN[C@H](C)[C@@H](C)O)c(=O)n1C ZINC000583317522 357900538 /nfs/dbraw/zinc/90/05/38/357900538.db2.gz LMAHECOTBOOZLL-NXEZZACHSA-N 0 3 224.304 0.553 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc2nncn2c1 ZINC000583323409 357904710 /nfs/dbraw/zinc/90/47/10/357904710.db2.gz OZODIDYQJCVOPO-QMMMGPOBSA-N 0 3 219.248 0.405 20 0 BCADHN Cc1cc(CC(=O)N[C@@H]2CCN(C3CC3)C2)on1 ZINC000583326255 357905914 /nfs/dbraw/zinc/90/59/14/357905914.db2.gz RLRFVNIWZHFQNV-SNVBAGLBSA-N 0 3 249.314 0.878 20 0 BCADHN CC1(C)CN(CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC000583732945 357929881 /nfs/dbraw/zinc/92/98/81/357929881.db2.gz ZRRYJZATTRRQKG-RYUDHWBXSA-N 0 3 243.347 0.885 20 0 BCADHN CC1(C)CN(CCOC[C@H]2CCCO2)C[C@H]1O ZINC000583732946 357929947 /nfs/dbraw/zinc/92/99/47/357929947.db2.gz ZRRYJZATTRRQKG-VXGBXAGGSA-N 0 3 243.347 0.885 20 0 BCADHN COCCCNC(=O)[C@@H](C)NC1CC1 ZINC000020365347 357932158 /nfs/dbraw/zinc/93/21/58/357932158.db2.gz HUWRLMTTWLNUEO-MRVPVSSYSA-N 0 3 200.282 0.280 20 0 BCADHN C[C@H](CN[C@@H](CO)CC1CCC1)S(C)(=O)=O ZINC000583752962 357934827 /nfs/dbraw/zinc/93/48/27/357934827.db2.gz IWQKMAIPFPZSRL-MWLCHTKSSA-N 0 3 249.376 0.560 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H](C)C[C@H]1CO ZINC000639935381 357935797 /nfs/dbraw/zinc/93/57/97/357935797.db2.gz HVHVTKLMKVYBIA-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H]1CCN(CCn2cncn2)[C@H](CO)C1 ZINC000639935414 357935909 /nfs/dbraw/zinc/93/59/09/357935909.db2.gz AIAHUEQDNZTNKY-MNOVXSKESA-N 0 3 224.308 0.371 20 0 BCADHN C[C@@H]1CCN(C[C@@H]2CCC(=O)N2)[C@H](CO)C1 ZINC000639938435 357943449 /nfs/dbraw/zinc/94/34/49/357943449.db2.gz XRBDWABVGDVVJN-VWYCJHECSA-N 0 3 226.320 0.358 20 0 BCADHN COC[C@](C)(CO)NCCOC[C@@H]1CCCO1 ZINC000639956135 357978121 /nfs/dbraw/zinc/97/81/21/357978121.db2.gz UUNPQPIBFBMZGJ-RYUDHWBXSA-N 0 3 247.335 0.169 20 0 BCADHN C[C@H](O)C[C@H]1COCCN1C[C@H]1CCCOC1 ZINC000546630540 325296095 /nfs/dbraw/zinc/29/60/95/325296095.db2.gz NGCALNVFJVAMHZ-XQQFMLRXSA-N 0 3 243.347 0.885 20 0 BCADHN COC[C@@](C)(CO)NCCOCC(F)F ZINC000639958287 357982734 /nfs/dbraw/zinc/98/27/34/357982734.db2.gz RETBWVXFDCMRPJ-SECBINFHSA-N 0 3 227.251 0.255 20 0 BCADHN CCn1cc(CCN[C@@](C)(CO)COC)cn1 ZINC000639958513 357983559 /nfs/dbraw/zinc/98/35/59/357983559.db2.gz ULHHPOZNMZQVNY-LBPRGKRZSA-N 0 3 241.335 0.433 20 0 BCADHN COC[C@](C)(CO)NCCn1nc(C)cc1C ZINC000639954964 357987288 /nfs/dbraw/zinc/98/72/88/357987288.db2.gz HVNSWLHNVHNCIK-LBPRGKRZSA-N 0 3 241.335 0.487 20 0 BCADHN COC[C@@](C)(CO)NCCc1scnc1C ZINC000639955032 357987332 /nfs/dbraw/zinc/98/73/32/357987332.db2.gz JKVOFMPDPMYSRV-LLVKDONJSA-N 0 3 244.360 0.981 20 0 BCADHN C[C@@H]1CC[C@H](CN2CC[C@H](CO)[C@@H](O)C2)O1 ZINC000584493296 358003315 /nfs/dbraw/zinc/00/33/15/358003315.db2.gz QFSWPDIKZFFJHI-KKOKHZNYSA-N 0 3 229.320 0.229 20 0 BCADHN C[C@H]1C[C@H]1C(=O)N(CCN(C)C)CCN(C)C ZINC000103211799 358013153 /nfs/dbraw/zinc/01/31/53/358013153.db2.gz ZFXMCWKMKBOGJH-NWDGAFQWSA-N 0 3 241.379 0.594 20 0 BCADHN COC[C@@H](C)N1CCN([C@@H](C)COC)CC1 ZINC000075595216 325301927 /nfs/dbraw/zinc/30/19/27/325301927.db2.gz MIZIAFVVSAGRFF-TXEJJXNPSA-N 0 3 230.352 0.674 20 0 BCADHN CCSCCN1C[C@H](O)C[C@H](O)C1 ZINC000610604132 358015892 /nfs/dbraw/zinc/01/58/92/358015892.db2.gz BXWVRSJPYJTXNX-DTORHVGOSA-N 0 3 205.323 0.167 20 0 BCADHN O=C(CCc1ccco1)NC[C@H]1CNCCO1 ZINC000036285279 358019453 /nfs/dbraw/zinc/01/94/53/358019453.db2.gz BILGMCYFYSIYLN-LLVKDONJSA-N 0 3 238.287 0.317 20 0 BCADHN COC(=O)CCCCCNC(=O)CNC(C)C ZINC000610652791 358043572 /nfs/dbraw/zinc/04/35/72/358043572.db2.gz ZYLCYGBWLJFBTL-UHFFFAOYSA-N 0 3 244.335 0.834 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H]2COC[C@@]2(C)C1)N(C)C ZINC000618707183 358044413 /nfs/dbraw/zinc/04/44/13/358044413.db2.gz LQNUVDBGQZEXNQ-NQBHXWOUSA-N 0 3 240.347 0.822 20 0 BCADHN CC[C@H](C(=O)N1C[C@H]2COC[C@]2(C)C1)N(C)C ZINC000618707177 358044488 /nfs/dbraw/zinc/04/44/88/358044488.db2.gz LQNUVDBGQZEXNQ-LOWVWBTDSA-N 0 3 240.347 0.822 20 0 BCADHN COc1ccccc1CNCCC(N)=O ZINC000036923088 358056405 /nfs/dbraw/zinc/05/64/05/358056405.db2.gz REEICNDNRCXGEI-UHFFFAOYSA-N 0 3 208.261 0.660 20 0 BCADHN NC(=O)c1ccc(CN2CCC[C@H](CO)C2)cc1 ZINC000049933669 181294199 /nfs/dbraw/zinc/29/41/99/181294199.db2.gz RRZSZTBWFYORFJ-LBPRGKRZSA-N 0 3 248.326 0.990 20 0 BCADHN C[C@@H](NC(=O)NCCN(C)C)[C@@H]1CCOC1 ZINC000133757486 325316132 /nfs/dbraw/zinc/31/61/32/325316132.db2.gz BGYXABUUUIOQPC-NXEZZACHSA-N 0 3 229.324 0.272 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)Cn1cccn1 ZINC000036999228 358063829 /nfs/dbraw/zinc/06/38/29/358063829.db2.gz OWHRYIFTLRBIEO-DTWKUNHWSA-N 0 3 210.281 0.125 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000037043154 358063846 /nfs/dbraw/zinc/06/38/46/358063846.db2.gz RTHVCFQTSSOIIX-NXEZZACHSA-N 0 3 236.319 0.651 20 0 BCADHN NC(=O)Nc1ccc(NC(=O)CNC2CC2)cc1 ZINC000037609623 358083241 /nfs/dbraw/zinc/08/32/41/358083241.db2.gz UQRCQMYRPGDFJP-UHFFFAOYSA-N 0 3 248.286 0.868 20 0 BCADHN CCn1ncnc1CNCCN1CCCC1 ZINC000083978109 491120314 /nfs/dbraw/zinc/12/03/14/491120314.db2.gz ZTFOMPAJXJYOAS-UHFFFAOYSA-N 0 3 223.324 0.483 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)CNC1CC1 ZINC000037823532 358095286 /nfs/dbraw/zinc/09/52/86/358095286.db2.gz HYDHVPSLPRIANU-MRVPVSSYSA-N 0 3 228.292 0.006 20 0 BCADHN CCOC1CC2(C1)CCN([C@@H]1CCNC1=O)C2 ZINC000335306568 535397312 /nfs/dbraw/zinc/39/73/12/535397312.db2.gz GEBASTVASOZQDH-QWKFWESOSA-N 0 3 238.331 0.766 20 0 BCADHN CC[C@@H](C)NC(=O)CCNC(=O)CNC1CC1 ZINC000038014993 358103053 /nfs/dbraw/zinc/10/30/53/358103053.db2.gz XIZNMHBSVHDMAD-SECBINFHSA-N 0 3 241.335 0.159 20 0 BCADHN C[C@@H]1CN(CCn2cccn2)CCCO1 ZINC000170764383 134253349 /nfs/dbraw/zinc/25/33/49/134253349.db2.gz 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CCN(C)C(=O)CN1CCC[C@@](O)(CC)C1 ZINC000640033587 358125595 /nfs/dbraw/zinc/12/55/95/358125595.db2.gz STVXKPLRAVAWBO-LBPRGKRZSA-N 0 3 228.336 0.702 20 0 BCADHN CN(C[C@@H]1CCOC1)[C@@H]1CCCCNC1=O ZINC000170939169 134255273 /nfs/dbraw/zinc/25/52/73/134255273.db2.gz UBHQGUAEDXOFLN-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CCCCNC(=O)CNC(C)(C)COC ZINC000076496503 325347029 /nfs/dbraw/zinc/34/70/29/325347029.db2.gz UMBLETZINSILHQ-UHFFFAOYSA-N 0 3 216.325 0.917 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@H](O)C(C)(C)C1 ZINC000388238436 358113349 /nfs/dbraw/zinc/11/33/49/358113349.db2.gz SWIXEHYGRIVSNE-QWRGUYRKSA-N 0 3 231.336 0.475 20 0 BCADHN CO[C@@H](C)CC(=O)N1CCCN(C)CC1 ZINC000171533928 134258694 /nfs/dbraw/zinc/25/86/94/134258694.db2.gz CSKUDQLYXOBMPJ-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN C[C@H](CNC(=O)c1cnn(C)c1)N(C)C1CC1 ZINC000171108674 134257124 /nfs/dbraw/zinc/25/71/24/134257124.db2.gz DCVITSZNJDKHIZ-SECBINFHSA-N 0 3 236.319 0.633 20 0 BCADHN C[C@H]1C[C@@H]1CN(C)CC(=O)N1CCN(C)CC1 ZINC000640065695 358153809 /nfs/dbraw/zinc/15/38/09/358153809.db2.gz ZSRIVVNBRVZYDB-NWDGAFQWSA-N 0 3 239.363 0.348 20 0 BCADHN CCOC(=O)N1CCCN(C[C@@H](O)CC)CC1 ZINC000171648306 134257756 /nfs/dbraw/zinc/25/77/56/134257756.db2.gz MCUYWRMQVRPSMU-NSHDSACASA-N 0 3 244.335 0.922 20 0 BCADHN C[C@H]1C[C@H]1CN(C)CC(=O)N1CCN(C)CC1 ZINC000640065696 358153992 /nfs/dbraw/zinc/15/39/92/358153992.db2.gz ZSRIVVNBRVZYDB-RYUDHWBXSA-N 0 3 239.363 0.348 20 0 BCADHN Cc1ncc(CN[C@@H](C)[C@@H](C)CO)n1C ZINC000584733027 358165045 /nfs/dbraw/zinc/16/50/45/358165045.db2.gz WDWMMEKAHXYLLW-IUCAKERBSA-N 0 3 211.309 0.835 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCCOC2)C1 ZINC000171611040 134259444 /nfs/dbraw/zinc/25/94/44/134259444.db2.gz HSLAHEYCZXIRBA-QWRGUYRKSA-N 0 3 241.335 0.511 20 0 BCADHN C[C@@H]1CCN(C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000584783015 358176683 /nfs/dbraw/zinc/17/66/83/358176683.db2.gz IOLPGLMWEAXVNW-MNOVXSKESA-N 0 3 240.351 0.023 20 0 BCADHN CCn1nncc1CNC(C)(C)C(C)(C)O ZINC000640090667 358184236 /nfs/dbraw/zinc/18/42/36/358184236.db2.gz IRZSHWPSAJMWCR-UHFFFAOYSA-N 0 3 226.324 0.937 20 0 BCADHN CNC(=O)CN1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640097120 358192932 /nfs/dbraw/zinc/19/29/32/358192932.db2.gz ZETTUHXMFSLDSD-DCAQKATOSA-N 0 3 226.320 0.358 20 0 BCADHN CCC[C@@H](O)CN(C)CCNC(=O)N(C)C ZINC000450655976 202229173 /nfs/dbraw/zinc/22/91/73/202229173.db2.gz VGXSGPHJPVVDDJ-SNVBAGLBSA-N 0 3 231.340 0.350 20 0 BCADHN COC(=O)C1(CN2CCSC[C@H]2CO)CC1 ZINC000450643211 202223400 /nfs/dbraw/zinc/22/34/00/202223400.db2.gz QQCGMPVONGKYFF-SECBINFHSA-N 0 3 245.344 0.349 20 0 BCADHN OC[C@@H]1CSCCN1CC[C@H]1CCOC1 ZINC000450642748 202223760 /nfs/dbraw/zinc/22/37/60/202223760.db2.gz PONWTMKCKMXFPM-WDEREUQCSA-N 0 3 231.361 0.823 20 0 BCADHN Cc1nc(C)c(CNCCN2CC[C@@H](O)C2)o1 ZINC000628465102 358228064 /nfs/dbraw/zinc/22/80/64/358228064.db2.gz SSYKXLPDPHNZPV-LLVKDONJSA-N 0 3 239.319 0.448 20 0 BCADHN C[C@H](N)C(=O)NCC[C@H]1CCCCO1 ZINC000224048202 358231146 /nfs/dbraw/zinc/23/11/46/358231146.db2.gz 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CCC[C@H](O)CN(C)[C@]1(CO)CCOC1 ZINC000450713528 202242589 /nfs/dbraw/zinc/24/25/89/202242589.db2.gz SRBZRBLFVVBQKO-QWRGUYRKSA-N 0 3 217.309 0.231 20 0 BCADHN CCOCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000334225699 535412690 /nfs/dbraw/zinc/41/26/90/535412690.db2.gz YTLYCYRDJKKHKU-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN CCC[C@H](O)CN[C@]1(CC(=O)OC)CCOC1 ZINC000450774576 202261153 /nfs/dbraw/zinc/26/11/53/202261153.db2.gz OGXREZHASZFKNQ-JQWIXIFHSA-N 0 3 245.319 0.459 20 0 BCADHN CCC[C@@H](O)CN[C@]1(CC(=O)OC)CCOC1 ZINC000450774577 202261585 /nfs/dbraw/zinc/26/15/85/202261585.db2.gz OGXREZHASZFKNQ-PWSUYJOCSA-N 0 3 245.319 0.459 20 0 BCADHN CN(C1CNC1)S(=O)(=O)c1ccccc1 ZINC000085257841 134271572 /nfs/dbraw/zinc/27/15/72/134271572.db2.gz RFVXYDFDASGBDT-UHFFFAOYSA-N 0 3 226.301 0.279 20 0 BCADHN Cc1ncc(CNC[C@@]2(O)CCO[C@@H]2C)n1C ZINC000578207179 366392201 /nfs/dbraw/zinc/39/22/01/366392201.db2.gz NCSHQKSEEOLAJW-SKDRFNHKSA-N 0 3 239.319 0.358 20 0 BCADHN C[C@@H]1C[C@@H](NCC(=O)NCC2CC2)CCO1 ZINC000226515283 358340720 /nfs/dbraw/zinc/34/07/20/358340720.db2.gz KDWAEYNTIWVAGZ-KOLCDFICSA-N 0 3 226.320 0.670 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000227377855 358355150 /nfs/dbraw/zinc/35/51/50/358355150.db2.gz HFUGIAUHJQSLDD-WPRPVWTQSA-N 0 3 242.344 0.769 20 0 BCADHN COCCC1(CNC(=O)CNC2CC2)CC1 ZINC000226688424 358342328 /nfs/dbraw/zinc/34/23/28/358342328.db2.gz VYHHVYZJGKWOMZ-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN CN(C1CNC1)S(=O)(=O)N1CCCCCC1 ZINC000085257875 134272126 /nfs/dbraw/zinc/27/21/26/134272126.db2.gz MAOBOXJMANEVIB-UHFFFAOYSA-N 0 3 247.364 0.011 20 0 BCADHN CO[C@H](CN)C(=O)N1CCc2ccccc2CC1 ZINC000227385840 358355173 /nfs/dbraw/zinc/35/51/73/358355173.db2.gz QJHLQVOYNDEFOE-CYBMUJFWSA-N 0 3 248.326 0.588 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000227385259 358355197 /nfs/dbraw/zinc/35/51/97/358355197.db2.gz VNUCKCDQGFULJG-XHNCKOQMSA-N 0 3 232.349 0.313 20 0 BCADHN NC(=O)c1ccc(CN[C@H]2CCOC2)cc1 ZINC000087415915 181296937 /nfs/dbraw/zinc/29/69/37/181296937.db2.gz DNSYGJXYFWBHCO-NSHDSACASA-N 0 3 220.272 0.664 20 0 BCADHN CSC[C@H](O)CN(C)CCN1CCCC1=O ZINC000547643561 325377888 /nfs/dbraw/zinc/37/78/88/325377888.db2.gz SLOSKEFKWVHGHW-SNVBAGLBSA-N 0 3 246.376 0.265 20 0 BCADHN CN1CCC(C(=O)N[C@@H]2CCSC2)CC1 ZINC000336433119 491128732 /nfs/dbraw/zinc/12/87/32/491128732.db2.gz LIXLUTWXQPXFTL-SNVBAGLBSA-N 0 3 228.361 0.950 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000043427595 358375241 /nfs/dbraw/zinc/37/52/41/358375241.db2.gz QPRBMIDRBFJURS-KXUCPTDWSA-N 0 3 212.293 0.504 20 0 BCADHN OCC(CO)NC[C@@H]1CCC2(CCCC2)O1 ZINC000229295068 358375355 /nfs/dbraw/zinc/37/53/55/358375355.db2.gz UIJNMRKQRJVLQQ-NSHDSACASA-N 0 3 229.320 0.421 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cnc(N)cn2)CCN1C ZINC000228576979 358380220 /nfs/dbraw/zinc/38/02/20/358380220.db2.gz DNNDGLYEZVRPKF-RKDXNWHRSA-N 0 3 249.318 0.271 20 0 BCADHN CO[C@H](CN)C(=O)NCc1ncc(C)s1 ZINC000227418979 358356555 /nfs/dbraw/zinc/35/65/55/358356555.db2.gz 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CCCCOCCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000579489833 366830632 /nfs/dbraw/zinc/83/06/32/366830632.db2.gz DXIOWFIZSLFYTJ-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN CC(C)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000136355003 364470286 /nfs/dbraw/zinc/47/02/86/364470286.db2.gz IYXYUNNAMJYFKS-VIFPVBQESA-N 0 3 211.309 0.931 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1C[C@@H](C)O[C@H]1C)N(C)C ZINC000630714789 364489203 /nfs/dbraw/zinc/48/92/03/364489203.db2.gz AQIUGCFEPFCKTF-VLEAKVRGSA-N 0 3 228.336 0.866 20 0 BCADHN C[C@@H](CNC(=O)c1cnn(C(F)F)c1)N(C)C ZINC000630717195 364496729 /nfs/dbraw/zinc/49/67/29/364496729.db2.gz VYLPJEVKRBOXIR-ZETCQYMHSA-N 0 3 246.261 0.958 20 0 BCADHN COC(=O)CCN1CCN(CC2CC2)[C@@H](C)C1 ZINC000182094492 366866005 /nfs/dbraw/zinc/86/60/05/366866005.db2.gz OCBVOZSQMTZCGY-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCOC[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC000245671033 364553918 /nfs/dbraw/zinc/55/39/18/364553918.db2.gz DEGMVOZLTLGFDB-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN 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O[C@@H](CN[C@@H]1CCc2c[nH]nc2C1)C(F)(F)F ZINC000573439533 364832257 /nfs/dbraw/zinc/83/22/57/364832257.db2.gz VQYSQVRINOKOMT-APPZFPTMSA-N 0 3 249.236 0.780 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@@H](C)[C@H](C)O ZINC000299997666 364839870 /nfs/dbraw/zinc/83/98/70/364839870.db2.gz VMKSSCCOYCZDNY-CIUDSAMLSA-N 0 3 202.298 0.212 20 0 BCADHN Cc1ncc(CN[C@@H](C)CC[S@@](C)=O)n1C ZINC000573459930 364840961 /nfs/dbraw/zinc/84/09/61/364840961.db2.gz QWVVPWDICGVCPD-XXFAHNHDSA-N 0 3 243.376 0.975 20 0 BCADHN CCn1nc(C)c(CNC(=O)[C@@H](C)N)c1C ZINC000573560591 364862074 /nfs/dbraw/zinc/86/20/74/364862074.db2.gz KPUPPDUWWBVFPY-SSDOTTSWSA-N 0 3 224.308 0.483 20 0 BCADHN Cc1cc(=O)[nH]cc1NC(=O)COC1CNC1 ZINC000573484519 364844405 /nfs/dbraw/zinc/84/44/05/364844405.db2.gz AYBJDRWICPWUAO-UHFFFAOYSA-N 0 3 237.259 0.023 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCC[C@H]2CCO)C1 ZINC000573576212 364867493 /nfs/dbraw/zinc/86/74/93/364867493.db2.gz IBRAOVTWUAVDDP-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCC[C@]12CCNC2=O ZINC000573695585 364895251 /nfs/dbraw/zinc/89/52/51/364895251.db2.gz OCJGVJAALKRUII-GXFFZTMASA-N 0 3 240.347 0.748 20 0 BCADHN CO[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000573710657 364899452 /nfs/dbraw/zinc/89/94/52/364899452.db2.gz RECGTDLOUWOMRN-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN COc1ccc(CC(=O)N2CCCNCC2)nc1 ZINC000573723472 364902702 /nfs/dbraw/zinc/90/27/02/364902702.db2.gz MAKFVYXIMHFFII-UHFFFAOYSA-N 0 3 249.314 0.455 20 0 BCADHN CC/C=C/CCN[C@@]1(C(N)=O)CCOC1 ZINC000573813649 364922710 /nfs/dbraw/zinc/92/27/10/364922710.db2.gz WUJRPDGVZMYOGQ-UFFNRZRYSA-N 0 3 212.293 0.577 20 0 BCADHN CNC(=O)CCCN1CCOC[C@H]1C1CC1 ZINC000573859930 364931634 /nfs/dbraw/zinc/93/16/34/364931634.db2.gz JSZWCVVXSILUMG-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](O)[C@@H](C)NCc1n[nH]c(C(C)(C)C)n1 ZINC000573913206 364942744 /nfs/dbraw/zinc/94/27/44/364942744.db2.gz APJGADLLZBOKBP-HTQZYQBOSA-N 0 3 226.324 0.961 20 0 BCADHN C[C@@H](O)[C@@H](C)[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000573913206 364942750 /nfs/dbraw/zinc/94/27/50/364942750.db2.gz APJGADLLZBOKBP-HTQZYQBOSA-N 0 3 226.324 0.961 20 0 BCADHN CO[C@H](CNC(=O)N1CCCNCC1)C1CC1 ZINC000573905062 364941521 /nfs/dbraw/zinc/94/15/21/364941521.db2.gz AHNKKZVYVSMWMR-LLVKDONJSA-N 0 3 241.335 0.416 20 0 BCADHN CC(C)CN1CCC(NS(C)(=O)=O)CC1 ZINC000248227886 541429278 /nfs/dbraw/zinc/42/92/78/541429278.db2.gz JWVGXEISOLJWFH-UHFFFAOYSA-N 0 3 234.365 0.656 20 0 BCADHN CN(C)CCn1ccc(C(=O)N(C)C)n1 ZINC000574098096 364987288 /nfs/dbraw/zinc/98/72/88/364987288.db2.gz KWJLPIICVUIVBL-UHFFFAOYSA-N 0 3 210.281 0.147 20 0 BCADHN CC(C)(C)[C@H](O)C[C@H](CO)NCc1cn[nH]c1 ZINC000671193568 541442342 /nfs/dbraw/zinc/44/23/42/541442342.db2.gz GCPVBPLJWWVYFF-GHMZBOCLSA-N 0 3 241.335 0.657 20 0 BCADHN CCN(C)CCNC(=O)[C@@](C)(CC)CO ZINC000574171589 365003912 /nfs/dbraw/zinc/00/39/12/365003912.db2.gz VMMFHFUFIIQZHR-NSHDSACASA-N 0 3 216.325 0.463 20 0 BCADHN CC[C@@H](N)C(=O)NCCc1cnc(C2CC2)nc1 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ZINC000581348774 367369252 /nfs/dbraw/zinc/36/92/52/367369252.db2.gz YWLVCENDYQKOEW-VHSXEESVSA-N 0 3 214.309 0.345 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[S@](=O)[C@@H](C)C1 ZINC000381294896 367375707 /nfs/dbraw/zinc/37/57/07/367375707.db2.gz FZMDASVKHAGKPT-UTEYVOQOSA-N 0 3 232.349 0.093 20 0 BCADHN COCCN(C)CCNC(=O)c1nocc1C ZINC000630894511 367467971 /nfs/dbraw/zinc/46/79/71/367467971.db2.gz AXDQLZGSUYZUOM-UHFFFAOYSA-N 0 3 241.291 0.291 20 0 BCADHN FC(F)[C@@H]1CNCCN1C[C@@H]1CCOC1 ZINC000381632154 367441342 /nfs/dbraw/zinc/44/13/42/367441342.db2.gz RKLKJEAVXLZPNK-IUCAKERBSA-N 0 3 220.263 0.562 20 0 BCADHN FC(F)[C@H]1CNCCN1Cc1cc[nH]n1 ZINC000381637307 367442215 /nfs/dbraw/zinc/44/22/15/367442215.db2.gz XDEPVFUJFIXWNS-MRVPVSSYSA-N 0 3 216.235 0.449 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)N[C@@H]1CC[C@H]1O ZINC000382196405 367496645 /nfs/dbraw/zinc/49/66/45/367496645.db2.gz DANBIXSPBIGART-AVPPRXQKSA-N 0 3 209.293 0.902 20 0 BCADHN COC[C@@](C)(O)CNCc1cnn2ccccc12 ZINC000382550663 367537138 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/nfs/dbraw/zinc/57/17/85/367571785.db2.gz IPFNEDGNTBJBFG-FBIMIBRVSA-N 0 3 226.320 0.547 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@@H]1CCSC1 ZINC000383021468 367587711 /nfs/dbraw/zinc/58/77/11/367587711.db2.gz GMBCQKPWXMSCBP-VXNVDRBHSA-N 0 3 214.334 0.749 20 0 BCADHN COc1cnccc1[C@@H](C)NC(=O)CN ZINC000581549188 367578101 /nfs/dbraw/zinc/57/81/01/367578101.db2.gz CCHKDCMQWMVJBW-SSDOTTSWSA-N 0 3 209.249 0.226 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000382977250 367578651 /nfs/dbraw/zinc/57/86/51/367578651.db2.gz SURXDYQLIRYETM-AEJSXWLSSA-N 0 3 226.320 0.763 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)[C@H](C)NC1CC1 ZINC000382981977 367580309 /nfs/dbraw/zinc/58/03/09/367580309.db2.gz UPPHWJAOKGWPBW-ONGXEEELSA-N 0 3 228.336 0.650 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000383022024 367586630 /nfs/dbraw/zinc/58/66/30/367586630.db2.gz DZVNWPLNYKHKAK-WCQGTBRESA-N 0 3 238.331 0.907 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@@H]1CCSC1 ZINC000383021467 367586770 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CC1(C)CC[C@H](CO)N(C[C@@H]2CCC(=O)N2)C1 ZINC000621381270 370326102 /nfs/dbraw/zinc/32/61/02/370326102.db2.gz PODKCMNAECUQKS-WDEREUQCSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1CN(C(=O)CN(C)CC2CC2)C[C@H](C)O1 ZINC000076747299 370348987 /nfs/dbraw/zinc/34/89/87/370348987.db2.gz LUNVOZOALULOFC-PHIMTYICSA-N 0 3 240.347 0.964 20 0 BCADHN CN1CCC[C@H](CNc2ccc3nnnn3n2)C1 ZINC000113552487 370428249 /nfs/dbraw/zinc/42/82/49/370428249.db2.gz BDLIEZLKBBNYED-SECBINFHSA-N 0 3 247.306 0.273 20 0 BCADHN Cc1nccc(C(=O)NCCN2CCCC2)n1 ZINC000077308933 370410989 /nfs/dbraw/zinc/41/09/89/370410989.db2.gz RECHRXXCZKXBOV-UHFFFAOYSA-N 0 3 234.303 0.611 20 0 BCADHN O=C(CC[C@@H]1CCC[NH2+]C1)Nc1ccncc1[O-] ZINC000621652748 370412654 /nfs/dbraw/zinc/41/26/54/370412654.db2.gz DVRYPRYWAVHKOY-JTQLQIEISA-N 0 3 249.314 0.927 20 0 BCADHN CN[C@@H](C)C(=O)NCC[C@@H]1CC1(F)F ZINC000621670831 370419459 /nfs/dbraw/zinc/41/94/59/370419459.db2.gz ZYFVHFPOLWZMFO-NKWVEPMBSA-N 0 3 206.236 0.756 20 0 BCADHN C[C@@H](O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000208014346 370454945 /nfs/dbraw/zinc/45/49/45/370454945.db2.gz FJJNEGMAIGINJL-BDAKNGLRSA-N 0 3 214.309 0.356 20 0 BCADHN CC1CC(CNC(=O)NC[C@H]2CNCCO2)C1 ZINC000621849185 370561234 /nfs/dbraw/zinc/56/12/34/370561234.db2.gz ORLVOXRVBZESBN-VQXHTEKXSA-N 0 3 241.335 0.320 20 0 BCADHN CC(C)C(C)(C)NC(=O)NC[C@H]1CNCCO1 ZINC000568522543 326362464 /nfs/dbraw/zinc/36/24/64/326362464.db2.gz ZAZGSNFANGKAKD-SNVBAGLBSA-N 0 3 243.351 0.709 20 0 BCADHN Cc1nccnc1C(=O)N(CCN(C)C)C1CC1 ZINC000621958193 370621589 /nfs/dbraw/zinc/62/15/89/370621589.db2.gz XAQORHPOFVYHBL-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN CN(C)CC[C@@](C)(O)CNC(=O)CCCF ZINC000621959850 370621824 /nfs/dbraw/zinc/62/18/24/370621824.db2.gz GSSYWWZVQRJQLC-LLVKDONJSA-N 0 3 234.315 0.555 20 0 BCADHN COC[C@@](C)(O)CNCc1c(C)nn(C)c1C ZINC000069913127 370993631 /nfs/dbraw/zinc/99/36/31/370993631.db2.gz LQONCRFQLRSXJY-LBPRGKRZSA-N 0 3 241.335 0.524 20 0 BCADHN CN(C)[C@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@@H]1O ZINC000568661279 326371759 /nfs/dbraw/zinc/37/17/59/326371759.db2.gz LTWPWRCNVNZUBV-JBDRJPRFSA-N 0 3 248.273 0.021 20 0 BCADHN C[C@@H]1[C@H](N[C@@H]2CCO[C@H]2C)CCS1(=O)=O ZINC000623719838 371068600 /nfs/dbraw/zinc/06/86/00/371068600.db2.gz MFYUAJKPMPHDOY-SGIHWFKDSA-N 0 3 233.333 0.329 20 0 BCADHN NC(=O)c1csc(CNC[C@H]2C[C@@H](O)C2)c1 ZINC000623749290 371080159 /nfs/dbraw/zinc/08/01/59/371080159.db2.gz BHDUJOREPUNRTG-OTSSQURYSA-N 0 3 240.328 0.708 20 0 BCADHN COCCn1cc(CNC[C@H]2C[C@@H](O)C2)cn1 ZINC000623749605 371080224 /nfs/dbraw/zinc/08/02/24/371080224.db2.gz KWIVQGHZTXZQIB-KLPPZKSPSA-N 0 3 239.319 0.390 20 0 BCADHN CCn1ccnc1CNC[C@H]1C[C@@H](O)C1 ZINC000623749787 371080695 /nfs/dbraw/zinc/08/06/95/371080695.db2.gz PJNBTQVNIDGBQW-AOOOYVTPSA-N 0 3 209.293 0.764 20 0 BCADHN CCO[C@@H]1C[C@@H]1N[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000568868729 326380102 /nfs/dbraw/zinc/38/01/02/326380102.db2.gz CMSQLSPCWPVUNP-RNJOBUHISA-N 0 3 240.347 0.520 20 0 BCADHN Oc1cccc(CN[C@@H]2CCOC[C@H]2O)c1 ZINC000623764209 371086048 /nfs/dbraw/zinc/08/60/48/371086048.db2.gz AHCXQTHQOILWOT-VXGBXAGGSA-N 0 3 223.272 0.632 20 0 BCADHN Nc1nc(N)nc(N2CCc3ccccc3C2)n1 ZINC000623788177 371094077 /nfs/dbraw/zinc/09/40/77/371094077.db2.gz QUWXZMPAQVXJCQ-UHFFFAOYSA-N 0 3 242.286 0.259 20 0 BCADHN CC(C)CCN(C)c1nc(N)nc(N)n1 ZINC000623877593 371138855 /nfs/dbraw/zinc/13/88/55/371138855.db2.gz GTZIULFSAXLLPL-UHFFFAOYSA-N 0 3 210.285 0.179 20 0 BCADHN O=C([C@@H]1Cc2ccccc2O1)N1CCCNCC1 ZINC000019403529 371140165 /nfs/dbraw/zinc/14/01/65/371140165.db2.gz KSNWECIWDYQCOV-ZDUSSCGKSA-N 0 3 246.310 0.812 20 0 BCADHN Nc1nc(N)nc(N[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000623890476 371141443 /nfs/dbraw/zinc/14/14/43/371141443.db2.gz NDTJDXQIQILMFW-RKDXNWHRSA-N 0 3 242.286 0.087 20 0 BCADHN CC1CCC(N(C)c2nc(N)nc(N)n2)CC1 ZINC000623809288 371104852 /nfs/dbraw/zinc/10/48/52/371104852.db2.gz ZMHYFMLMFHMCME-UHFFFAOYSA-N 0 3 236.323 0.712 20 0 BCADHN Cc1nc(CNCCN2CC[C@H](O)C2)cs1 ZINC000623836812 371119665 /nfs/dbraw/zinc/11/96/65/371119665.db2.gz KQKLINQPORYNQF-NSHDSACASA-N 0 3 241.360 0.608 20 0 BCADHN O[C@H]1CCN(CCNCc2ccncc2F)C1 ZINC000623838350 371119739 /nfs/dbraw/zinc/11/97/39/371119739.db2.gz QPERHMQDZYCNCH-NSHDSACASA-N 0 3 239.294 0.377 20 0 BCADHN COC[C@H](C)N[C@@H]1CCN(C2CCC2)C1=O ZINC000623842571 371124151 /nfs/dbraw/zinc/12/41/51/371124151.db2.gz PXRGXPWHHPSHMB-GXSJLCMTSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H]1CCCC[C@H]1N(C)c1nc(N)nc(N)n1 ZINC000623842174 371124454 /nfs/dbraw/zinc/12/44/54/371124454.db2.gz GUYFURDJLGDKST-JGVFFNPUSA-N 0 3 236.323 0.712 20 0 BCADHN C[C@@H](N(C)c1nc(N)nc(N)n1)C(C)(C)C ZINC000623843438 371124571 /nfs/dbraw/zinc/12/45/71/371124571.db2.gz LEMLXQQMKAXADK-ZCFIWIBFSA-N 0 3 224.312 0.568 20 0 BCADHN C[C@H]1CCC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000623848033 371125329 /nfs/dbraw/zinc/12/53/29/371125329.db2.gz COKAVWAOGFNKLP-BQBZGAKWSA-N 0 3 222.296 0.109 20 0 BCADHN COC(=O)[C@@H](C)CN(C)Cc1cn[nH]c1 ZINC000389641879 371152871 /nfs/dbraw/zinc/15/28/71/371152871.db2.gz QVYKADJGVOJODJ-QMMMGPOBSA-N 0 3 211.265 0.651 20 0 BCADHN C[C@@H](Cn1cncn1)NCc1ccc(=O)[nH]c1 ZINC000631055263 371156278 /nfs/dbraw/zinc/15/62/78/371156278.db2.gz MXSQUZLBKWNCKG-VIFPVBQESA-N 0 3 233.275 0.557 20 0 BCADHN CN1C[C@@H](NCc2ccc(=O)[nH]c2)CC1=O ZINC000631057568 371185022 /nfs/dbraw/zinc/18/50/22/371185022.db2.gz DFMNRMCYJINVNB-VIFPVBQESA-N 0 3 221.260 0.108 20 0 BCADHN Nc1nc(N)nc(N2CC[C@@H](c3ccco3)C2)n1 ZINC000623960842 371198912 /nfs/dbraw/zinc/19/89/12/371198912.db2.gz JSXJSNTXZWUVDK-SSDOTTSWSA-N 0 3 246.274 0.284 20 0 BCADHN O=C(c1ccc2c(c1)OCO2)N1CCCNCC1 ZINC000019679986 371182413 /nfs/dbraw/zinc/18/24/13/371182413.db2.gz RSLBOYVVTZQWEH-UHFFFAOYSA-N 0 3 248.282 0.851 20 0 BCADHN CC[C@@H](COC)NC(=O)NC1CCN(C)CC1 ZINC000155215201 371206934 /nfs/dbraw/zinc/20/69/34/371206934.db2.gz DXSJOOMETBMKKT-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@H]1CCCN(c2nc(N)nc(N)n2)CC1 ZINC000623980045 371213143 /nfs/dbraw/zinc/21/31/43/371213143.db2.gz UEHDTXJBQLAYGT-QMMMGPOBSA-N 0 3 236.323 0.713 20 0 BCADHN CC[C@]1(NC[C@](C)(O)C(=O)OC)CCOC1 ZINC000390583850 371217411 /nfs/dbraw/zinc/21/74/11/371217411.db2.gz XNAMIPIIWMMPBI-QWRGUYRKSA-N 0 3 231.292 0.069 20 0 BCADHN C[C@@H]1CC(Nc2nc(N)nc(N)n2)C[C@@H](C)C1 ZINC000623987517 371221022 /nfs/dbraw/zinc/22/10/22/371221022.db2.gz BXBJVMGKRHYZGZ-BQBZGAKWSA-N 0 3 236.323 0.355 20 0 BCADHN C[C@@H](N(C)c1nc(N)nc(N)n1)C1(C)CC1 ZINC000624026569 371258277 /nfs/dbraw/zinc/25/82/77/371258277.db2.gz FEUNPUUGCJABCQ-ZCFIWIBFSA-N 0 3 222.296 0.322 20 0 BCADHN CC(C)C1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623999782 371232024 /nfs/dbraw/zinc/23/20/24/371232024.db2.gz CITDHDYDYLRGMP-UHFFFAOYSA-N 0 3 236.323 0.569 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H](C)[C@H]1CCCCO1 ZINC000623999932 371232036 /nfs/dbraw/zinc/23/20/36/371232036.db2.gz IBVUPICCSAIZFZ-NNYUYHANSA-N 0 3 229.320 0.947 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1cn2ccsc2n1 ZINC000335285321 181597445 /nfs/dbraw/zinc/59/74/45/181597445.db2.gz VTAWKIHUNKOECL-JGVFFNPUSA-N 0 3 236.300 0.359 20 0 BCADHN C[C@@H]1CC[C@H](C)N(c2nc(N)nc(N)n2)C1 ZINC000624007800 371244366 /nfs/dbraw/zinc/24/43/66/371244366.db2.gz FRIHNCWKKIFKPP-RQJHMYQMSA-N 0 3 222.296 0.322 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1ccccc1F ZINC000050456640 181597597 /nfs/dbraw/zinc/59/75/97/181597597.db2.gz GUNMSJBSDCQZFT-WCBMZHEXSA-N 0 3 208.236 0.789 20 0 BCADHN Cn1nccc1[C@H](CO)N[C@H]1CCCSC1 ZINC000624020823 371253900 /nfs/dbraw/zinc/25/39/00/371253900.db2.gz XJNZROOHTWVLBJ-UWVGGRQHSA-N 0 3 241.360 0.939 20 0 BCADHN C[C@@H](C1CC1)N1CCN(c2nccnn2)CC1 ZINC000624060636 371284887 /nfs/dbraw/zinc/28/48/87/371284887.db2.gz DNRNNMGHVGPVOF-JTQLQIEISA-N 0 3 233.319 0.792 20 0 BCADHN C[C@H]1CCN(c2nc(N)nc(N)n2)C[C@H](C)C1 ZINC000624058757 371285000 /nfs/dbraw/zinc/28/50/00/371285000.db2.gz DBIRDCZVBXKCNB-JGVFFNPUSA-N 0 3 236.323 0.569 20 0 BCADHN c1cnc(N2CCN(C3CCCC3)CC2)nn1 ZINC000624061052 371286281 /nfs/dbraw/zinc/28/62/81/371286281.db2.gz RMHXRZIOIIPMTF-UHFFFAOYSA-N 0 3 233.319 0.936 20 0 BCADHN CC[C@H]1CC[C@@H](C)N1c1nc(N)nc(N)n1 ZINC000624082440 371297361 /nfs/dbraw/zinc/29/73/61/371297361.db2.gz ZSAKLTGZDZVAPS-RQJHMYQMSA-N 0 3 222.296 0.464 20 0 BCADHN Nc1nc(N)nc(NCC23CCC(CC2)C3)n1 ZINC000624066585 371287903 /nfs/dbraw/zinc/28/79/03/371287903.db2.gz QXNHSZKGLDJVRR-UHFFFAOYSA-N 0 3 234.307 0.111 20 0 BCADHN CC1(C)CC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000624078259 371293960 /nfs/dbraw/zinc/29/39/60/371293960.db2.gz AROMGQSKNROXLK-ZCFIWIBFSA-N 0 3 222.296 0.109 20 0 BCADHN CCCC1(CNc2nc(N)nc(N)n2)CC1 ZINC000624035961 371264031 /nfs/dbraw/zinc/26/40/31/371264031.db2.gz XAESXVPXVGTVFL-UHFFFAOYSA-N 0 3 222.296 0.111 20 0 BCADHN Nc1nc(N)nc(N[C@@H]2CC3CCC2CC3)n1 ZINC000624047486 371271643 /nfs/dbraw/zinc/27/16/43/371271643.db2.gz FDLJVLAUZXUUIC-KAVNDROISA-N 0 3 234.307 0.109 20 0 BCADHN Nc1nc(N)nc(N[C@H]2CCCC(F)(F)C2)n1 ZINC000624047957 371273218 /nfs/dbraw/zinc/27/32/18/371273218.db2.gz XATFULIWVMDJPV-YFKPBYRVSA-N 0 3 244.249 0.108 20 0 BCADHN CC(C)(C)[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624098858 371305192 /nfs/dbraw/zinc/30/51/92/371305192.db2.gz VXPYZNBDSJLRGX-ZETCQYMHSA-N 0 3 236.323 0.569 20 0 BCADHN CC[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1cnn(C)c1 ZINC000624130509 371330609 /nfs/dbraw/zinc/33/06/09/371330609.db2.gz PQTASBBPGUINKN-LSJOCFKGSA-N 0 3 236.319 0.725 20 0 BCADHN CCN1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)CC1=O ZINC000391577116 371309309 /nfs/dbraw/zinc/30/93/09/371309309.db2.gz QSNXWVKFHUKTJO-WCBMZHEXSA-N 0 3 241.335 0.097 20 0 BCADHN CCN1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)CC1=O ZINC000391577113 371309878 /nfs/dbraw/zinc/30/98/78/371309878.db2.gz QSNXWVKFHUKTJO-PSASIEDQSA-N 0 3 241.335 0.097 20 0 BCADHN Nc1nc(N)nc(NCCC2=CCCCCC2)n1 ZINC000624106284 371312424 /nfs/dbraw/zinc/31/24/24/371312424.db2.gz VRUOCSHRORBGDL-UHFFFAOYSA-N 0 3 248.334 0.811 20 0 BCADHN C[C@@H]1C[C@H](C)[C@H](C)N(c2nc(N)nc(N)n2)C1 ZINC000624152218 371349791 /nfs/dbraw/zinc/34/97/91/371349791.db2.gz SADWVXJOKCCNCX-CSMHCCOUSA-N 0 3 236.323 0.568 20 0 BCADHN Cc1ncncc1[C@H](C)N[C@H]1C[C@H](C(N)=O)C1 ZINC000624133020 371335090 /nfs/dbraw/zinc/33/50/90/371335090.db2.gz GFFDVPDYCWKDAI-GUBZILKMSA-N 0 3 234.303 0.700 20 0 BCADHN NC(=O)[C@H]1C[C@H](N[C@H]2CCCn3ccnc32)C1 ZINC000624133866 371336240 /nfs/dbraw/zinc/33/62/40/371336240.db2.gz YXXFMKGHJRYBLC-GUBZILKMSA-N 0 3 234.303 0.572 20 0 BCADHN Nc1nc(N)nc(N2CCC3(CCC3)CC2)n1 ZINC000624214343 371401173 /nfs/dbraw/zinc/40/11/73/371401173.db2.gz APMJXJYAGCXKNF-UHFFFAOYSA-N 0 3 234.307 0.467 20 0 BCADHN C[C@H](NCCN1CC[C@@H](O)C1)c1ccccn1 ZINC000624229608 371416370 /nfs/dbraw/zinc/41/63/70/371416370.db2.gz ZSDSKWHZIJQZSF-NWDGAFQWSA-N 0 3 235.331 0.799 20 0 BCADHN Nc1nc(N)nc(N2CCCc3occc3C2)n1 ZINC000624230168 371418613 /nfs/dbraw/zinc/41/86/13/371418613.db2.gz PKKUMMVSJJMVQG-UHFFFAOYSA-N 0 3 246.274 0.243 20 0 BCADHN C[C@H](NCCN1CC[C@H](O)C1)c1ccoc1 ZINC000624335725 371486448 /nfs/dbraw/zinc/48/64/48/371486448.db2.gz YXKAFTQSVZNOOZ-JQWIXIFHSA-N 0 3 224.304 0.997 20 0 BCADHN C[C@H](NCCN1CC[C@H](O)C1)c1cn[nH]c1 ZINC000624337567 371487154 /nfs/dbraw/zinc/48/71/54/371487154.db2.gz LHOOISYRBNQLKC-ONGXEEELSA-N 0 3 224.308 0.127 20 0 BCADHN CC1(C)CN(c2nc(N)nc(N)n2)[C@H]2CCC[C@@H]21 ZINC000624247133 371432767 /nfs/dbraw/zinc/43/27/67/371432767.db2.gz VVNONPRNRJFKNF-YUMQZZPRSA-N 0 3 248.334 0.712 20 0 BCADHN Nc1nc(N)nc(NCC2=CCCCC2)n1 ZINC000624248636 371433838 /nfs/dbraw/zinc/43/38/38/371433838.db2.gz XQXUKILFRHPZJU-UHFFFAOYSA-N 0 3 220.280 0.031 20 0 BCADHN CC1(C)CCC[C@H]1CNc1nc(N)nc(N)n1 ZINC000624247997 371434492 /nfs/dbraw/zinc/43/44/92/371434492.db2.gz XXMGXPWUTYJIKT-ZETCQYMHSA-N 0 3 236.323 0.357 20 0 BCADHN CCC[C@H](Nc1nc(N)nc(N)n1)C(C)(C)C ZINC000624250259 371435015 /nfs/dbraw/zinc/43/50/15/371435015.db2.gz MQHFCOVAQRAIHE-ZETCQYMHSA-N 0 3 238.339 0.745 20 0 BCADHN CC(C)=CCC[C@@H](C)Nc1nc(N)nc(N)n1 ZINC000624249542 371436059 /nfs/dbraw/zinc/43/60/59/371436059.db2.gz NCWMATGWBJRUPB-MRVPVSSYSA-N 0 3 236.323 0.665 20 0 BCADHN CC[C@H](C)N1CCO[C@@H](CC(N)=O)C1 ZINC000624254826 371440100 /nfs/dbraw/zinc/44/01/00/371440100.db2.gz YCVMPXQUSNXCCN-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN NC(=O)C[C@@H]1CN(C2CCCC2)CCO1 ZINC000624254047 371440484 /nfs/dbraw/zinc/44/04/84/371440484.db2.gz LQJRKCFSZNYWIY-SNVBAGLBSA-N 0 3 212.293 0.505 20 0 BCADHN CCC[C@@H](C)N1CCO[C@H](CC(N)=O)C1 ZINC000624253565 371440530 /nfs/dbraw/zinc/44/05/30/371440530.db2.gz AYGLPXZHHANUAS-NXEZZACHSA-N 0 3 214.309 0.751 20 0 BCADHN NC(=O)C[C@H]1CN(C2CCCC2)CCO1 ZINC000624254046 371440773 /nfs/dbraw/zinc/44/07/73/371440773.db2.gz LQJRKCFSZNYWIY-JTQLQIEISA-N 0 3 212.293 0.505 20 0 BCADHN CC[C@H](C)N1CCO[C@H](CC(N)=O)C1 ZINC000624254825 371441110 /nfs/dbraw/zinc/44/11/10/371441110.db2.gz YCVMPXQUSNXCCN-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN Nc1nc(N)nc(NCC2CCCCCC2)n1 ZINC000624254830 371441166 /nfs/dbraw/zinc/44/11/66/371441166.db2.gz YFNLGAFOIUZPCX-UHFFFAOYSA-N 0 3 236.323 0.501 20 0 BCADHN CCC[C@H](Nc1nc(N)nc(N)n1)C1CCC1 ZINC000624273759 371450524 /nfs/dbraw/zinc/45/05/24/371450524.db2.gz HOPYGAHWYGMRAR-QMMMGPOBSA-N 0 3 236.323 0.499 20 0 BCADHN CN(c1nc(N)nc(N)n1)C1CC(C)(C)C1 ZINC000624273167 371454318 /nfs/dbraw/zinc/45/43/18/371454318.db2.gz XIRXKICWLNWPSA-UHFFFAOYSA-N 0 3 222.296 0.322 20 0 BCADHN CC(C)[C@H](C)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000624279042 371455761 /nfs/dbraw/zinc/45/57/61/371455761.db2.gz FHOQFPYOSIEQMG-VIFPVBQESA-N 0 3 249.380 0.111 20 0 BCADHN Nc1nc(N)nc(N2CC[C@@H](C3CCCC3)C2)n1 ZINC000624288218 371459179 /nfs/dbraw/zinc/45/91/79/371459179.db2.gz CJLPLUTUMJHMDB-SECBINFHSA-N 0 3 248.334 0.713 20 0 BCADHN Nc1nc(N)nc(NCCCC2CCC2)n1 ZINC000624399065 371499813 /nfs/dbraw/zinc/49/98/13/371499813.db2.gz AIQLDOYUHHJXCZ-UHFFFAOYSA-N 0 3 222.296 0.111 20 0 BCADHN CCN(CCn1ccccc1=O)CC(C)(C)O ZINC000096585145 371506338 /nfs/dbraw/zinc/50/63/38/371506338.db2.gz ZKSDEGXOAGQRIL-UHFFFAOYSA-N 0 3 238.331 0.941 20 0 BCADHN C[C@H](CN1CCOCC1)NCc1cn[nH]c1 ZINC000157023383 371515855 /nfs/dbraw/zinc/51/58/55/371515855.db2.gz OCPQLZATDNLUQR-SNVBAGLBSA-N 0 3 224.308 0.220 20 0 BCADHN CCCN(c1nc(N)nc(N)n1)C(C)C ZINC000624373496 371495061 /nfs/dbraw/zinc/49/50/61/371495061.db2.gz OYYQOHSZXAACCD-UHFFFAOYSA-N 0 3 210.285 0.322 20 0 BCADHN Cc1cc(N(C)C[C@H]2CNCCO2)n[nH]1 ZINC000631893824 371563575 /nfs/dbraw/zinc/56/35/75/371563575.db2.gz CACFQYSZSNUEPF-SECBINFHSA-N 0 3 210.281 0.143 20 0 BCADHN C[C@H](O)CN(C)CCOC[C@@H]1CCCO1 ZINC000131186670 371567173 /nfs/dbraw/zinc/56/71/73/371567173.db2.gz JTWKNTVROIKZQA-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN Cc1cc(N(C)C[C@H]2CCC3(CNC3)O2)n[nH]1 ZINC000631894289 371601595 /nfs/dbraw/zinc/60/15/95/371601595.db2.gz PTMTXCYWOBVMRV-SNVBAGLBSA-N 0 3 236.319 0.675 20 0 BCADHN CN[C@@H](C)C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000226679706 371722011 /nfs/dbraw/zinc/72/20/11/371722011.db2.gz GNXMAYUTRLAUKK-CIUDSAMLSA-N 0 3 216.350 0.947 20 0 BCADHN CCN(C(=O)c1ncc[nH]1)C1CCN(C)CC1 ZINC000627615760 371783554 /nfs/dbraw/zinc/78/35/54/371783554.db2.gz NCIMPAPMYSYPMG-UHFFFAOYSA-N 0 3 236.319 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ZINC000631272374 372272267 /nfs/dbraw/zinc/27/22/67/372272267.db2.gz VVUNSICFDVIGOC-VXGBXAGGSA-N 0 3 247.298 0.574 20 0 BCADHN Cc1noc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)n1 ZINC000631368958 372318210 /nfs/dbraw/zinc/31/82/10/372318210.db2.gz DFPYHTPULUFEAD-APPZFPTMSA-N 0 3 238.291 0.591 20 0 BCADHN Cc1noc(C(=O)NCC2(N(C)C)CCC2)n1 ZINC000631399773 372337113 /nfs/dbraw/zinc/33/71/13/372337113.db2.gz LGQYEHHRQDKXOV-UHFFFAOYSA-N 0 3 238.291 0.592 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1nnc(C2CC2)o1 ZINC000631419050 372351176 /nfs/dbraw/zinc/35/11/76/372351176.db2.gz QBFDBNGRPIRYEE-ZETCQYMHSA-N 0 3 238.291 0.627 20 0 BCADHN COCCCN(C)CCNC(=O)C1CSC1 ZINC000631507424 372399691 /nfs/dbraw/zinc/39/96/91/372399691.db2.gz VSTIKPZGOHXQKK-UHFFFAOYSA-N 0 3 246.376 0.434 20 0 BCADHN CN(C)CC(=O)NCC(C)(C)N1CCCCC1 ZINC000171178326 372420743 /nfs/dbraw/zinc/42/07/43/372420743.db2.gz NGJVOJXHQTVWJO-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN Cc1noc(C(=O)NCC2(N(C)C)CC2)n1 ZINC000631435782 372363379 /nfs/dbraw/zinc/36/33/79/372363379.db2.gz ISACNUXMIUEJBL-UHFFFAOYSA-N 0 3 224.264 0.202 20 0 BCADHN CC(C)CCNS(=O)(=O)CCCN(C)C ZINC000631637526 372473666 /nfs/dbraw/zinc/47/36/66/372473666.db2.gz AQQALMUSKVPOMK-UHFFFAOYSA-N 0 3 236.381 0.904 20 0 BCADHN CN(C)CCCS(=O)(=O)NC1CCCC1 ZINC000631642411 372476489 /nfs/dbraw/zinc/47/64/89/372476489.db2.gz MXQXRPBZQWIJJA-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN C[C@H]1CCCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631643281 372478132 /nfs/dbraw/zinc/47/81/32/372478132.db2.gz ZNGIBNKFDSSGCP-NSHDSACASA-N 0 3 248.392 1.000 20 0 BCADHN CCCN(C)C(=O)NCCN(C)CCOC ZINC000171211746 372478808 /nfs/dbraw/zinc/47/88/08/372478808.db2.gz YDVQVMIFARERMR-UHFFFAOYSA-N 0 3 231.340 0.616 20 0 BCADHN CC1(C)CN(C(=O)C2CSC2)CCN1 ZINC000631610667 372458995 /nfs/dbraw/zinc/45/89/95/372458995.db2.gz IKNMLNULKRLKAC-UHFFFAOYSA-N 0 3 214.334 0.560 20 0 BCADHN CO[C@@H](C)[C@@H](C)N[C@@H]1COCC[C@H]1O ZINC000631750293 372541011 /nfs/dbraw/zinc/54/10/11/372541011.db2.gz ASLUSDSSUWCQRP-UTINFBMNSA-N 0 3 203.282 0.149 20 0 BCADHN O[C@@H]1COC[C@@H]1N[C@H]1CCCc2ncccc21 ZINC000631675893 372504201 /nfs/dbraw/zinc/50/42/01/372504201.db2.gz YLUSSNVWKMBVNM-RWMBFGLXSA-N 0 3 234.299 0.808 20 0 BCADHN C[C@@H](N[C@@H]1COCC[C@H]1O)c1ccncc1 ZINC000631750931 372552708 /nfs/dbraw/zinc/55/27/08/372552708.db2.gz QJONRIRZJWWKOT-YUSALJHKSA-N 0 3 222.288 0.882 20 0 BCADHN CC[C@@H](COC)NC1CN(c2ccncn2)C1 ZINC000631746278 372547161 /nfs/dbraw/zinc/54/71/61/372547161.db2.gz GUCLBYKWUUUMMA-JTQLQIEISA-N 0 3 236.319 0.680 20 0 BCADHN Cc1nccnc1CN1CCNC[C@](C)(F)C1 ZINC000631826316 372606251 /nfs/dbraw/zinc/60/62/51/372606251.db2.gz KQORANLNCDQRIH-LBPRGKRZSA-N 0 3 238.310 0.918 20 0 BCADHN Cc1nccnc1CN1CCNC[C@@](C)(F)C1 ZINC000631826315 372606454 /nfs/dbraw/zinc/60/64/54/372606454.db2.gz KQORANLNCDQRIH-GFCCVEGCSA-N 0 3 238.310 0.918 20 0 BCADHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1cc(C)ns1 ZINC000631952786 372703015 /nfs/dbraw/zinc/70/30/15/372703015.db2.gz SULIHOHUFCNLHO-SSDOTTSWSA-N 0 3 249.361 0.338 20 0 BCADHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1conc1C ZINC000631933254 372698032 /nfs/dbraw/zinc/69/80/32/372698032.db2.gz BCQXTXXIFKGFCL-SSDOTTSWSA-N 0 3 247.320 0.259 20 0 BCADHN CN(C)C[C@H]1CCCCN1C(=O)c1cn[nH]c1 ZINC000171511179 372671130 /nfs/dbraw/zinc/67/11/30/372671130.db2.gz HNUPXPXEFCMMEX-LLVKDONJSA-N 0 3 236.319 0.966 20 0 BCADHN Cc1nocc1S(=O)(=O)[N-][C@H](C)C[C@@H](C)[NH3+] ZINC000631946552 372701756 /nfs/dbraw/zinc/70/17/56/372701756.db2.gz DITSFGGEIFAJLB-RNFRBKRXSA-N 0 3 247.320 0.387 20 0 BCADHN CN(Cc1ncc[nH]1)C[C@H]1CCC2(CNC2)O1 ZINC000631879094 372676618 /nfs/dbraw/zinc/67/66/18/372676618.db2.gz KFIJWONKMORTRR-SNVBAGLBSA-N 0 3 236.319 0.363 20 0 BCADHN CC[C@H](C)N(C)S(=O)(=O)CCCN(C)C ZINC000631889106 372683912 /nfs/dbraw/zinc/68/39/12/372683912.db2.gz FUJFYGUNBDZDBY-JTQLQIEISA-N 0 3 236.381 0.998 20 0 BCADHN CC(C)NC(=S)N1CCCN(C)CC1 ZINC000038639443 372724224 /nfs/dbraw/zinc/72/42/24/372724224.db2.gz FWQMJLBRORFRKO-UHFFFAOYSA-N 0 3 215.366 0.907 20 0 BCADHN 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ZINC000091310227 182021929 /nfs/dbraw/zinc/02/19/29/182021929.db2.gz MOSIJSLJVFNIGP-LLVKDONJSA-N 0 3 236.271 0.709 20 0 BCADHN O=C(C[C@H]1CNCCO1)NCCc1ccccc1 ZINC000091299065 182030691 /nfs/dbraw/zinc/03/06/91/182030691.db2.gz SGDUZVYAWVZNTR-ZDUSSCGKSA-N 0 3 248.326 0.724 20 0 BCADHN O=C(C[C@H]1CNCCO1)Nc1ccccc1O ZINC000091312570 182031227 /nfs/dbraw/zinc/03/12/27/182031227.db2.gz XFOXLYXQOBOKFP-VIFPVBQESA-N 0 3 236.271 0.709 20 0 BCADHN CC(C)[C@@H]1C[C@H]1NS(=O)(=O)CCCN(C)C ZINC000632439741 372944081 /nfs/dbraw/zinc/94/40/81/372944081.db2.gz HFBQKKURGNDTOV-WDEREUQCSA-N 0 3 248.392 0.902 20 0 BCADHN CN(C)CCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000632484648 372968125 /nfs/dbraw/zinc/96/81/25/372968125.db2.gz KODSNQRRPXZSTQ-JGPRNRPPSA-N 0 3 246.376 0.656 20 0 BCADHN CCNS(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000172455454 372978396 /nfs/dbraw/zinc/97/83/96/372978396.db2.gz CTQJTISJGIOARW-UHFFFAOYSA-N 0 3 249.380 0.114 20 0 BCADHN CN(C)CCCS(=O)(=O)NC1(C)CC=CC1 ZINC000632535748 372993034 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0 3 249.314 0.724 20 0 BCADHN O=C(Nc1ccccn1)[C@]1(F)CCNC1 ZINC000378209695 182382601 /nfs/dbraw/zinc/38/26/01/182382601.db2.gz KWXCZHMEFQDETK-JTQLQIEISA-N 0 3 209.224 0.722 20 0 BCADHN O=C(Nc1ncccc1[O-])[C@@]1(F)CC[NH2+]C1 ZINC000125290559 182399848 /nfs/dbraw/zinc/39/98/48/182399848.db2.gz VJFLJIJQPQYDGO-SNVBAGLBSA-N 0 3 225.223 0.427 20 0 BCADHN CCOC(=O)CCCN(C)[C@@H]1COC[C@H]1O ZINC000352793629 170201369 /nfs/dbraw/zinc/20/13/69/170201369.db2.gz PNZIXQWDWOEOEH-NXEZZACHSA-N 0 3 231.292 0.021 20 0 BCADHN CCOC(=O)CCCN1CC[C@H](CO)C1 ZINC000304293349 170201544 /nfs/dbraw/zinc/20/15/44/170201544.db2.gz MVCIYSVNMPYYDV-JTQLQIEISA-N 0 3 215.293 0.644 20 0 BCADHN CCOC(=O)[C@@H](C)N1CCCN(C)CC1 ZINC000043638504 170247196 /nfs/dbraw/zinc/24/71/96/170247196.db2.gz QAGDTEKBVRIURW-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CCCCOCCNC(=O)[C@H](N)CC(F)F ZINC000336677235 168900508 /nfs/dbraw/zinc/90/05/08/168900508.db2.gz WAAUTXPYHLBSLR-MRVPVSSYSA-N 0 3 238.278 0.902 20 0 BCADHN CCOCCCN1C[C@H](OC)[C@@H](OC)C1 ZINC000336699498 170376631 /nfs/dbraw/zinc/37/66/31/170376631.db2.gz WYOUPDGRZKTFPG-QWRGUYRKSA-N 0 3 217.309 0.759 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@H](O)[C@@H](C)C2)CCO1 ZINC000192833651 259590155 /nfs/dbraw/zinc/59/01/55/259590155.db2.gz NLISDXKQTUNWEV-XQQFMLRXSA-N 0 3 242.363 0.410 20 0 BCADHN O=c1n2ccccc2nn1CCCN1CCCC1 ZINC000128357226 183008733 /nfs/dbraw/zinc/00/87/33/183008733.db2.gz AWTAKLPTANZJHQ-UHFFFAOYSA-N 0 3 246.314 0.982 20 0 BCADHN OCC1CCN(CCn2cccn2)CC1 ZINC000049572781 183040544 /nfs/dbraw/zinc/04/05/44/183040544.db2.gz IXIYADDGYFHWSL-UHFFFAOYSA-N 0 3 209.293 0.587 20 0 BCADHN OCC1CCN(C[C@H]2COCCO2)CC1 ZINC000336642506 183040962 /nfs/dbraw/zinc/04/09/62/183040962.db2.gz AABHJTMYBZZTDA-NSHDSACASA-N 0 3 215.293 0.106 20 0 BCADHN OCC1(CNCc2cnc3cnccn23)CCC1 ZINC000329560502 183034570 /nfs/dbraw/zinc/03/45/70/183034570.db2.gz MHWFOHIPEVPDAO-UHFFFAOYSA-N 0 3 246.314 0.982 20 0 BCADHN OCCN(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000119877014 183068720 /nfs/dbraw/zinc/06/87/20/183068720.db2.gz DVZMCXYFFPZITG-MNOVXSKESA-N 0 3 231.361 0.965 20 0 BCADHN OCCN(CCn1cncn1)C1CCC1 ZINC000308775168 183068726 /nfs/dbraw/zinc/06/87/26/183068726.db2.gz MXEJGOQIWJHEKK-UHFFFAOYSA-N 0 3 210.281 0.125 20 0 BCADHN OCCCN1CC[C@@H](Oc2ccncc2)C1 ZINC000305105719 183056749 /nfs/dbraw/zinc/05/67/49/183056749.db2.gz DSNIHDJRALCJFD-GFCCVEGCSA-N 0 3 222.288 0.917 20 0 BCADHN OCCN(CCn1cccn1)C1CCC1 ZINC000221172042 183068592 /nfs/dbraw/zinc/06/85/92/183068592.db2.gz VWZVQCWVTNMKJI-UHFFFAOYSA-N 0 3 209.293 0.730 20 0 BCADHN OCCN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375430533 183076376 /nfs/dbraw/zinc/07/63/76/183076376.db2.gz BKIPDXGXDXOMRD-SECBINFHSA-N 0 3 223.276 0.729 20 0 BCADHN OCCN1CC[C@@H](OCc2ccncc2)C1 ZINC000281083126 183077657 /nfs/dbraw/zinc/07/76/57/183077657.db2.gz UQQDFGIMEBQZAF-GFCCVEGCSA-N 0 3 222.288 0.665 20 0 BCADHN OCCNCc1cncc(Br)c1 ZINC000034580003 183078801 /nfs/dbraw/zinc/07/88/01/183078801.db2.gz XRKCREHHROAILH-UHFFFAOYSA-N 0 3 231.093 0.926 20 0 BCADHN OCCOCCN1CCCO[C@H]2CCC[C@H]21 ZINC000361125690 183082005 /nfs/dbraw/zinc/08/20/05/183082005.db2.gz MQCRWBRABRDMBK-NEPJUHHUSA-N 0 3 229.320 0.639 20 0 BCADHN OCCOC1CCN(CC2=CCCOC2)CC1 ZINC000354025739 183082304 /nfs/dbraw/zinc/08/23/04/183082304.db2.gz ITEOVTMRKXSCMP-UHFFFAOYSA-N 0 3 241.331 0.806 20 0 BCADHN OCCOCCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000266921503 183082988 /nfs/dbraw/zinc/08/29/88/183082988.db2.gz MDLUBEZYOUWERA-NSHDSACASA-N 0 3 239.319 0.598 20 0 BCADHN OCCOCCN1CCOCC2(CC2)C1 ZINC000360083099 183084875 /nfs/dbraw/zinc/08/48/75/183084875.db2.gz CRJNVKHGEIJRQP-UHFFFAOYSA-N 0 3 215.293 0.108 20 0 BCADHN OCCO[C@@H]1CCCN(CCn2cccn2)C1 ZINC000172293526 183085714 /nfs/dbraw/zinc/08/57/14/183085714.db2.gz SSSZFVUMNLBCSV-GFCCVEGCSA-N 0 3 239.319 0.356 20 0 BCADHN OCCO[C@H]1CCCN(CCn2cccn2)C1 ZINC000172293523 183086445 /nfs/dbraw/zinc/08/64/45/183086445.db2.gz SSSZFVUMNLBCSV-LBPRGKRZSA-N 0 3 239.319 0.356 20 0 BCADHN OCC[C@@H]1CCCN1CCn1cncn1 ZINC000308915662 183092600 /nfs/dbraw/zinc/09/26/00/183092600.db2.gz XVRPVNCPOLPTHT-JTQLQIEISA-N 0 3 210.281 0.125 20 0 BCADHN OCC[C@@]1(NCc2cccnc2)CCOC1 ZINC000278516131 183094134 /nfs/dbraw/zinc/09/41/34/183094134.db2.gz QZBJMQOXJAKUSJ-GFCCVEGCSA-N 0 3 222.288 0.713 20 0 BCADHN OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000049813804 183111737 /nfs/dbraw/zinc/11/17/37/183111737.db2.gz MCCXHGFEYOVLFR-LBPRGKRZSA-N 0 3 207.273 0.398 20 0 BCADHN OC[C@@H]1CCCN(CCn2cccn2)C1 ZINC000050104533 183117790 /nfs/dbraw/zinc/11/77/90/183117790.db2.gz LZVFUPAFFOXYPR-LLVKDONJSA-N 0 3 209.293 0.587 20 0 BCADHN CCCC[C@H](N)C(=O)N(C)CC(=O)N(C)C ZINC000037480609 169006009 /nfs/dbraw/zinc/00/60/09/169006009.db2.gz DQIDDWZZJLIUTD-VIFPVBQESA-N 0 3 229.324 0.051 20 0 BCADHN CCCC[C@H](N)C(=O)N(CC)CC(=O)NCC ZINC000037895317 169006040 /nfs/dbraw/zinc/00/60/40/169006040.db2.gz ZYGJDBLFRBATKH-JTQLQIEISA-N 0 3 243.351 0.489 20 0 BCADHN CCCC[C@H](N)C(=O)NCC(=O)OCC ZINC000037713933 169006349 /nfs/dbraw/zinc/00/63/49/169006349.db2.gz UGTRUMJIYKIWJZ-QMMMGPOBSA-N 0 3 216.281 0.183 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@@H]1CCOC1 ZINC000037739180 169008186 /nfs/dbraw/zinc/00/81/86/169008186.db2.gz MDLDBKUVBVNPBW-UWVGGRQHSA-N 0 3 214.309 0.657 20 0 BCADHN CCCC[C@H](N)C(=O)NCCn1ccnc1C ZINC000310448880 169008248 /nfs/dbraw/zinc/00/82/48/169008248.db2.gz ZNVVDIWBOIXQPE-NSHDSACASA-N 0 3 238.335 0.825 20 0 BCADHN OCC[C@H]1CSCCN1CCn1ccnc1 ZINC000336666554 183098399 /nfs/dbraw/zinc/09/83/99/183098399.db2.gz GIZUOZSBYPPWAC-NSHDSACASA-N 0 3 241.360 0.683 20 0 BCADHN OC[C@@H](NCc1cc[nH]n1)C1CCOCC1 ZINC000309603070 183108689 /nfs/dbraw/zinc/10/86/89/183108689.db2.gz XDNJKHQTVHTEQH-LLVKDONJSA-N 0 3 225.292 0.287 20 0 BCADHN OC[C@@H](NCc1cccnc1)[C@H]1CCCO1 ZINC000309558743 183108788 /nfs/dbraw/zinc/10/87/88/183108788.db2.gz IOVNDRRKJVMUEP-VXGBXAGGSA-N 0 3 222.288 0.711 20 0 BCADHN OC[C@@H](NCc1cccnc1)[C@@H]1CCCO1 ZINC000309558738 183109449 /nfs/dbraw/zinc/10/94/49/183109449.db2.gz IOVNDRRKJVMUEP-NEPJUHHUSA-N 0 3 222.288 0.711 20 0 BCADHN OC[C@@H](NCc1ccncc1)[C@@H]1CCCO1 ZINC000336659898 183109581 /nfs/dbraw/zinc/10/95/81/183109581.db2.gz ASYVIZFXTNOUDS-NEPJUHHUSA-N 0 3 222.288 0.711 20 0 BCADHN OC[C@@H](O)CNCc1ccc2c[nH]nc2c1 ZINC000276751679 183110501 /nfs/dbraw/zinc/11/05/01/183110501.db2.gz LVJOBPLZJAQDEW-JTQLQIEISA-N 0 3 221.260 0.006 20 0 BCADHN OC[C@@]1(F)CCN(CC[C@H]2CCCO2)C1 ZINC000338586287 183134465 /nfs/dbraw/zinc/13/44/65/183134465.db2.gz FCJCHISRIZSZII-GHMZBOCLSA-N 0 3 217.284 0.962 20 0 BCADHN OC[C@H](NC[C@@H](O)C(F)(F)F)[C@@H]1CCCO1 ZINC000336671887 183140076 /nfs/dbraw/zinc/14/00/76/183140076.db2.gz INBFMMRJSYDFBU-BIIVOSGPSA-N 0 3 243.225 0.039 20 0 BCADHN OC[C@H](NCc1ccncc1)[C@H]1CCCO1 ZINC000336659902 183141750 /nfs/dbraw/zinc/14/17/50/183141750.db2.gz ASYVIZFXTNOUDS-NWDGAFQWSA-N 0 3 222.288 0.711 20 0 BCADHN OC[C@H](O)CNCc1ccc(F)c(Cl)c1 ZINC000088041087 183143235 /nfs/dbraw/zinc/14/32/35/183143235.db2.gz VAAWJTBEOHOIGO-MRVPVSSYSA-N 0 3 233.670 0.922 20 0 BCADHN OC[C@@H]1CCN(Cc2cnn(CC(F)F)c2)C1 ZINC000295507806 183124175 /nfs/dbraw/zinc/12/41/75/183124175.db2.gz YWLPSGSRIMPHAN-SECBINFHSA-N 0 3 245.273 0.962 20 0 BCADHN OC[C@@H]1CN(Cc2ccccc2)C[C@@H]1O ZINC000113973732 183127878 /nfs/dbraw/zinc/12/78/78/183127878.db2.gz XQYUBSUGHRDQSN-RYUDHWBXSA-N 0 3 207.273 0.472 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1C[C@@H](O)CC1CCCC1 ZINC000354729366 183128809 /nfs/dbraw/zinc/12/88/09/183128809.db2.gz JEFZDOVFKFYPCR-AVGNSLFASA-N 0 3 243.347 0.355 20 0 BCADHN CCCCn1nccc1NC(=O)CNC ZINC000236957447 169039386 /nfs/dbraw/zinc/03/93/86/169039386.db2.gz AEXDKIGNDBHVAZ-UHFFFAOYSA-N 0 3 210.281 0.841 20 0 BCADHN CCCCn1nccc1NC(=O)[C@H](CN)OC ZINC000289615095 169039952 /nfs/dbraw/zinc/03/99/52/169039952.db2.gz OKSLQIVSIDJWAQ-VIFPVBQESA-N 0 3 240.307 0.595 20 0 BCADHN OC[C@]1(F)CCN(CC[C@H]2CCOC2)C1 ZINC000338997347 183158090 /nfs/dbraw/zinc/15/80/90/183158090.db2.gz NVXRJTNPJBGEEA-QWRGUYRKSA-N 0 3 217.284 0.819 20 0 BCADHN OCc1ccc(CNC[C@]2(O)CCSC2)o1 ZINC000165145399 183165344 /nfs/dbraw/zinc/16/53/44/183165344.db2.gz PLQYUZHUJSMZFH-LLVKDONJSA-N 0 3 243.328 0.730 20 0 BCADHN O[C@@H](CNCc1cccnc1)COCC1CC1 ZINC000037850888 183180840 /nfs/dbraw/zinc/18/08/40/183180840.db2.gz ITIIXUBWLSBTEW-ZDUSSCGKSA-N 0 3 236.315 0.959 20 0 BCADHN O[C@@H](CCN1C[C@H](O)[C@@H](O)C1)c1ccccc1 ZINC000236588995 183174562 /nfs/dbraw/zinc/17/45/62/183174562.db2.gz STTRDAWQFIGZJH-AVGNSLFASA-N 0 3 237.299 0.148 20 0 BCADHN CCCN(C)C(=O)[C@H](N)CCC(=O)OC ZINC000336736318 169057947 /nfs/dbraw/zinc/05/79/47/169057947.db2.gz IRKUUDRCHMSRPE-MRVPVSSYSA-N 0 3 216.281 0.135 20 0 BCADHN CCCN(C)CC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000356888881 169067425 /nfs/dbraw/zinc/06/74/25/169067425.db2.gz UZLHTDRCGHBLDC-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](C(=O)OC)C1 ZINC000359277853 169067881 /nfs/dbraw/zinc/06/78/81/169067881.db2.gz TWZJKAWOLHPNSJ-SNVBAGLBSA-N 0 3 242.319 0.350 20 0 BCADHN CCCN(C)CC(=O)N1CCN(C)CC[C@@H]1C ZINC000354955873 169068123 /nfs/dbraw/zinc/06/81/23/169068123.db2.gz XSFLYCXTLCEVLD-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN O[C@@H]1CCC[C@H]1N1CCN(CC2CC2)CC1 ZINC000042490923 183196665 /nfs/dbraw/zinc/19/66/65/183196665.db2.gz XKZCZZUBJCARPM-CHWSQXEVSA-N 0 3 224.348 0.927 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@H]1CO ZINC000340327306 169068304 /nfs/dbraw/zinc/06/83/04/169068304.db2.gz FZFDHPGXOBYFJR-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](CO)C1 ZINC000340315006 169068397 /nfs/dbraw/zinc/06/83/97/169068397.db2.gz QWXYLTTXYQBJTH-JTQLQIEISA-N 0 3 214.309 0.169 20 0 BCADHN CCCN(C)CC(=O)N1CCN(CC)C[C@H]1C ZINC000341772339 169068649 /nfs/dbraw/zinc/06/86/49/169068649.db2.gz LTJCSKKJJXHKFC-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN O[C@@H](COCc1ccco1)CN1CC[C@@H](O)C1 ZINC000336711427 183197750 /nfs/dbraw/zinc/19/77/50/183197750.db2.gz MJKPTGQLHQOSQZ-GHMZBOCLSA-N 0 3 241.287 0.224 20 0 BCADHN CCCN(C)CC(=O)N1CCCOCC1 ZINC000359297013 169068803 /nfs/dbraw/zinc/06/88/03/169068803.db2.gz XCRAXTNQSLVUNN-UHFFFAOYSA-N 0 3 214.309 0.577 20 0 BCADHN CCCN(C)CC(=O)NC(C)(C)CO ZINC000332469158 169069475 /nfs/dbraw/zinc/06/94/75/169069475.db2.gz LASLUVDAMOWGIC-UHFFFAOYSA-N 0 3 202.298 0.215 20 0 BCADHN CCCN(C)CC(=O)NCCN1CCCCC1 ZINC000358554068 169069911 /nfs/dbraw/zinc/06/99/11/169069911.db2.gz HWNFJGMZPASQDF-UHFFFAOYSA-N 0 3 241.379 0.930 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000357121842 169070739 /nfs/dbraw/zinc/07/07/39/169070739.db2.gz PXVHNKGGXDJYQJ-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)NCCNC(=O)C(C)C ZINC000359244826 169071047 /nfs/dbraw/zinc/07/10/47/169071047.db2.gz OKAOXYCBWRZRJQ-UHFFFAOYSA-N 0 3 243.351 0.217 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H]1CCC[C@H]1O ZINC000330920005 169071136 /nfs/dbraw/zinc/07/11/36/169071136.db2.gz OLKWRBBZFDQGGB-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN CCCN(C)CC(=O)NCCc1cn[nH]c1 ZINC000356990980 169071303 /nfs/dbraw/zinc/07/13/03/169071303.db2.gz JXRBDVYUEWSIBQ-UHFFFAOYSA-N 0 3 224.308 0.410 20 0 BCADHN CCCN(C)CC(=O)NCCN(C)CCOC ZINC000359256222 169071350 /nfs/dbraw/zinc/07/13/50/169071350.db2.gz XCGSSXULWVYDRA-UHFFFAOYSA-N 0 3 245.367 0.023 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](O)[C@H](C)CC ZINC000355096597 169071691 /nfs/dbraw/zinc/07/16/91/169071691.db2.gz LIXVFXWMKVVSTQ-GHMZBOCLSA-N 0 3 230.352 0.851 20 0 BCADHN CCCN(C)CC(=O)NCc1ccnc(C)n1 ZINC000359301465 169072383 /nfs/dbraw/zinc/07/23/83/169072383.db2.gz JPBBFCIOFFBFRT-UHFFFAOYSA-N 0 3 236.319 0.743 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](O)[C@@H](C)CC ZINC000355096602 169072535 /nfs/dbraw/zinc/07/25/35/169072535.db2.gz LIXVFXWMKVVSTQ-QWRGUYRKSA-N 0 3 230.352 0.851 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CCOC)COC ZINC000359510154 169072592 /nfs/dbraw/zinc/07/25/92/169072592.db2.gz GAIDXABGGKDFFX-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)CCCO ZINC000340529406 169072714 /nfs/dbraw/zinc/07/27/14/169072714.db2.gz CIWMNKGRNFYGSR-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN CCCN(C)CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000330910411 169072865 /nfs/dbraw/zinc/07/28/65/169072865.db2.gz PSTSSTOAWYCRLM-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCN(C(N)=O)C1 ZINC000330908742 169073217 /nfs/dbraw/zinc/07/32/17/169073217.db2.gz OOFQLPJBKZAXOJ-SECBINFHSA-N 0 3 242.323 0.011 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CC)C(C)(C)O ZINC000358619308 169073734 /nfs/dbraw/zinc/07/37/34/169073734.db2.gz SBBQWQKKDNYFPD-JTQLQIEISA-N 0 3 230.352 0.994 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)c1cn[nH]c1 ZINC000330478912 169074106 /nfs/dbraw/zinc/07/41/06/169074106.db2.gz YMDDDOLIHSWAHE-VIFPVBQESA-N 0 3 224.308 0.929 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CCOC)COC ZINC000359509493 169074783 /nfs/dbraw/zinc/07/47/83/169074783.db2.gz GAIDXABGGKDFFX-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)CCOC ZINC000359295890 169075011 /nfs/dbraw/zinc/07/50/11/169075011.db2.gz WSIXJQUGVCSEBS-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)O ZINC000341920027 169075564 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169192770 /nfs/dbraw/zinc/19/27/70/169192770.db2.gz SZIBWBPAWNVGGV-UHFFFAOYSA-N 0 3 239.363 0.683 20 0 BCADHN CCCN1CCCN(CC(=O)OCC)CC1 ZINC000112410249 169192929 /nfs/dbraw/zinc/19/29/29/169192929.db2.gz BIXZJPULNLRCRO-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN CCCN1CCCN(C(=O)CN(C)C)CC1 ZINC000127029885 169193323 /nfs/dbraw/zinc/19/33/23/169193323.db2.gz QZFKHEGRVLDUQU-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN CCCN1CCCN([C@@H](CC)C(N)=O)CC1 ZINC000112409344 169193726 /nfs/dbraw/zinc/19/37/26/169193726.db2.gz ODJFYBWRCZKBOZ-NSHDSACASA-N 0 3 227.352 0.668 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NCC[C@H](C)O ZINC000330677004 169195102 /nfs/dbraw/zinc/19/51/02/169195102.db2.gz AVQLZBUNITZYTE-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NC[C@H](O)C(C)C ZINC000331206280 169195204 /nfs/dbraw/zinc/19/52/04/169195204.db2.gz DMYFGNMVAAUIPD-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000352765347 169195313 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QOPVSARGFHAWMC-UHFFFAOYSA-N 0 3 246.270 0.866 20 0 BCADHN c1cc(CNC[C@H]2CN3CCC[C@@H]3CO2)n[nH]1 ZINC000112839239 183351484 /nfs/dbraw/zinc/35/14/84/183351484.db2.gz AVJNNZSQOACWEH-NEPJUHHUSA-N 0 3 236.319 0.363 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@@H](N)[C@H](C)CC ZINC000045088651 169216503 /nfs/dbraw/zinc/21/65/03/169216503.db2.gz QQVUXRKLIKWPIN-KOLCDFICSA-N 0 3 243.351 0.392 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@H](N)C(C)C ZINC000045088571 169217181 /nfs/dbraw/zinc/21/71/81/169217181.db2.gz PUDBSKTUUYWTMB-SNVBAGLBSA-N 0 3 229.324 0.002 20 0 BCADHN CCCNC(=O)CN(CC1CCC1)[C@@H](C)CO ZINC000361502396 169218611 /nfs/dbraw/zinc/21/86/11/169218611.db2.gz WSAAZHVSGOIQEH-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CCCNC(=O)CN1CCCN(CC)CC1 ZINC000364109776 169221430 /nfs/dbraw/zinc/22/14/30/169221430.db2.gz DTMWPHYIRAFMBN-UHFFFAOYSA-N 0 3 227.352 0.540 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CCC[C@H](O)CC1 ZINC000331850166 169241116 /nfs/dbraw/zinc/24/11/16/169241116.db2.gz IIMJVRXGMMXVPM-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN CCCNC(=O)[C@H](C)N(C)C[C@H]1CCC[C@H]1O ZINC000246057579 169244926 /nfs/dbraw/zinc/24/49/26/169244926.db2.gz BEKRWLIHASMVCN-QJPTWQEYSA-N 0 3 242.363 0.994 20 0 BCADHN CCCNC(=O)[C@H](C)N(C)[C@H]1CCC[C@H]1O ZINC000352695612 169245298 /nfs/dbraw/zinc/24/52/98/169245298.db2.gz IGMCFCIYPSBNJP-GARJFASQSA-N 0 3 228.336 0.746 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125346777 169246671 /nfs/dbraw/zinc/24/66/71/169246671.db2.gz OENIJTNCJTZLFK-YFKTTZPYSA-N 0 3 240.347 0.604 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@@](C)(C(N)=O)C1 ZINC000361562267 169246827 /nfs/dbraw/zinc/24/68/27/169246827.db2.gz BBDAMYUIWVRXAR-JOYOIKCWSA-N 0 3 241.335 0.098 20 0 BCADHN CCCNC(=O)C(C)S(=O)(=O)[C@H]1CCOC1 ZINC000362671032 169247603 /nfs/dbraw/zinc/24/76/03/169247603.db2.gz KIDBMLKUGDWSRE-IUCAKERBSA-N 0 3 249.332 0.105 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@H](C)Cn1cccn1 ZINC000042269868 169247778 /nfs/dbraw/zinc/24/77/78/169247778.db2.gz ZATKSJUCLZZXSE-MNOVXSKESA-N 0 3 238.335 0.776 20 0 BCADHN CCCOCC(=O)N(CCOC)CCN(C)C ZINC000355247135 169302464 /nfs/dbraw/zinc/30/24/64/169302464.db2.gz QPAQRIYRGXDRGV-UHFFFAOYSA-N 0 3 246.351 0.450 20 0 BCADHN CCCOCC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000361908115 169304026 /nfs/dbraw/zinc/30/40/26/169304026.db2.gz NBFVPMGWRZEQMD-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CCCOCC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000374876553 169304181 /nfs/dbraw/zinc/30/41/81/169304181.db2.gz OELUZOIOMHRLGC-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CCC[C@@H](C(=O)NCC1(O)CCC1)N(C)C ZINC000305252632 169343966 /nfs/dbraw/zinc/34/39/66/169343966.db2.gz LLPXXXQHXLSERD-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CCC[C@@H](C(=O)N1C[C@@H](O)C2(CC2)C1)N(C)C ZINC000375285663 169344351 /nfs/dbraw/zinc/34/43/51/169344351.db2.gz DSGNLEJDBSETKU-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN CCC[C@@H](C(=O)N1C[C@H](O)C2(CC2)C1)N(C)C ZINC000375285662 169344454 /nfs/dbraw/zinc/34/44/54/169344454.db2.gz DSGNLEJDBSETKU-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN CCC[C@@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)N(C)C ZINC000305759919 169344906 /nfs/dbraw/zinc/34/49/06/169344906.db2.gz YBDOSVIXDMDVLL-TUAOUCFPSA-N 0 3 240.347 0.770 20 0 BCADHN CCCS(=O)(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000124031500 169331975 /nfs/dbraw/zinc/33/19/75/169331975.db2.gz LFHWICYHYFYKQZ-NXEZZACHSA-N 0 3 234.365 0.608 20 0 BCADHN CCCS(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000077898195 169332454 /nfs/dbraw/zinc/33/24/54/169332454.db2.gz PFPLDWRVFSNHDL-SNVBAGLBSA-N 0 3 246.376 0.800 20 0 BCADHN CCC[C@@H](C)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000337314976 169367905 /nfs/dbraw/zinc/36/79/05/169367905.db2.gz IUCDGVQLXCOPBA-ZJUUUORDSA-N 0 3 234.365 0.928 20 0 BCADHN CCC[C@@H](C(=O)N[C@H]1C[C@@H](O)C1)N(C)C ZINC000332079822 169344959 /nfs/dbraw/zinc/34/49/59/169344959.db2.gz ZCQHUNHWUGJCJY-AEJSXWLSSA-N 0 3 214.309 0.356 20 0 BCADHN CCC[C@@H](C(=O)NCc1noc(C)n1)N(C)C ZINC000162161885 169345415 /nfs/dbraw/zinc/34/54/15/169345415.db2.gz HHFSKELESILCMQ-VIFPVBQESA-N 0 3 240.307 0.725 20 0 BCADHN CCC[C@@H](C(=O)NC[C@H](O)CC)N(C)C ZINC000355783957 169345449 /nfs/dbraw/zinc/34/54/49/169345449.db2.gz AQTATFISTHJFDT-ZJUUUORDSA-N 0 3 216.325 0.604 20 0 BCADHN CCC[C@@H](C(=O)NCc1nccn1C)N(C)C ZINC000269804622 169345461 /nfs/dbraw/zinc/34/54/61/169345461.db2.gz ADNRTNNGMQNIHF-JTQLQIEISA-N 0 3 238.335 0.767 20 0 BCADHN CCC[C@@H](C)C(=O)NCCN[C@H]1CCOC1 ZINC000309819504 169350579 /nfs/dbraw/zinc/35/05/79/169350579.db2.gz DIGKWTSFQHDAPS-MNOVXSKESA-N 0 3 228.336 0.917 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCO[C@H](C(C)C)C1 ZINC000353330123 169388249 /nfs/dbraw/zinc/38/82/49/169388249.db2.gz SEPPHSOHOIUUOM-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCCN(C)CC1 ZINC000036873045 169388316 /nfs/dbraw/zinc/38/83/16/169388316.db2.gz FRQZSTZLCBPSKQ-SNVBAGLBSA-N 0 3 213.325 0.278 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)[C@@H](C)COC ZINC000037815770 169386915 /nfs/dbraw/zinc/38/69/15/169386915.db2.gz VHSLGWRMSPUDOF-DTWKUNHWSA-N 0 3 202.298 0.607 20 0 BCADHN CCC[C@@H](N)C(=O)NCc1ccc(=O)[nH]c1 ZINC000083352650 169390048 /nfs/dbraw/zinc/39/00/48/169390048.db2.gz RLLHNLRJYYFDHG-SECBINFHSA-N 0 3 223.276 0.119 20 0 BCADHN COC(=O)CCCN1CCC[C@@H]1CC(=O)OC ZINC000179135458 134317632 /nfs/dbraw/zinc/31/76/32/134317632.db2.gz GLCFKNFBQJUUKY-SNVBAGLBSA-N 0 3 243.303 0.967 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000040503641 169390605 /nfs/dbraw/zinc/39/06/05/169390605.db2.gz WXLANANQACWFBT-GHMZBOCLSA-N 0 3 227.352 0.714 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1ccccc1C(N)=O ZINC000036872975 169391888 /nfs/dbraw/zinc/39/18/88/169391888.db2.gz GLUWJXQKKOSMLU-SECBINFHSA-N 0 3 235.287 0.851 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1ccc(N)nc1 ZINC000261593138 169391904 /nfs/dbraw/zinc/39/19/04/169391904.db2.gz WQGPTXALGDGMKX-MRVPVSSYSA-N 0 3 208.265 0.730 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1nnc2ccccn21 ZINC000236793826 169393244 /nfs/dbraw/zinc/39/32/44/169393244.db2.gz YYRFYLBBPPXXHJ-MRVPVSSYSA-N 0 3 233.275 0.795 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H]1CO ZINC000179619131 134322841 /nfs/dbraw/zinc/32/28/41/134322841.db2.gz WUVXBUVHABXTHF-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN COC(=O)CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000221346388 134320780 /nfs/dbraw/zinc/32/07/80/134320780.db2.gz MTYQMCAYHZXGRP-KXUCPTDWSA-N 0 3 242.319 0.537 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H]([C@@H](C)O)C1)N(C)C ZINC000181047433 134333175 /nfs/dbraw/zinc/33/31/75/134333175.db2.gz BOCABSAMBGLQKK-OUAUKWLOSA-N 0 3 228.336 0.556 20 0 BCADHN COC[C@@H](O)CCN[C@H](C)c1cnccn1 ZINC000222708320 134334314 /nfs/dbraw/zinc/33/43/14/134334314.db2.gz QWVCKIVHKTYHNJ-ZJUUUORDSA-N 0 3 225.292 0.525 20 0 BCADHN CC[C@@H](C(=O)N[C@H](CO)C(C)(C)C)N(C)C ZINC000332509835 170666444 /nfs/dbraw/zinc/66/64/44/170666444.db2.gz WXKBFELNTYXAJQ-VHSXEESVSA-N 0 3 230.352 0.850 20 0 BCADHN CCN(CC)CCn1nc(COC)oc1=O ZINC000181323084 134335941 /nfs/dbraw/zinc/33/59/41/134335941.db2.gz XHEGKDIUJLXOMP-UHFFFAOYSA-N 0 3 229.280 0.325 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@@](C)(C(=O)OC)C1 ZINC000177438885 535454397 /nfs/dbraw/zinc/45/43/97/535454397.db2.gz WDVLVYFVHWCTHN-GZMMTYOYSA-N 0 3 228.292 0.135 20 0 BCADHN CCC[C@H](N)C(=O)N(C)Cc1cnn(C)c1 ZINC000037800765 169500397 /nfs/dbraw/zinc/50/03/97/169500397.db2.gz XODHMQHUBMCACJ-JTQLQIEISA-N 0 3 224.308 0.506 20 0 BCADHN CCC[C@H](N)C(=O)NCCC(=O)OC(C)C ZINC000353500725 169501146 /nfs/dbraw/zinc/50/11/46/169501146.db2.gz JSRSGZMZQMFCTI-VIFPVBQESA-N 0 3 230.308 0.572 20 0 BCADHN CCC[C@H](N)C(=O)NCCn1cc(C)cn1 ZINC000182223411 169501926 /nfs/dbraw/zinc/50/19/26/169501926.db2.gz GRQNTWQRBLQDHW-JTQLQIEISA-N 0 3 224.308 0.435 20 0 BCADHN CC(C)N(CC(=O)NC(N)=O)C(C)C ZINC000183059411 134350763 /nfs/dbraw/zinc/35/07/63/134350763.db2.gz KSMYUSLBPRDIIE-UHFFFAOYSA-N 0 3 201.270 0.300 20 0 BCADHN CCN(CCNC(=O)N[C@H](C)CO)C1CC1 ZINC000303390336 169842847 /nfs/dbraw/zinc/84/28/47/169842847.db2.gz YDOAIYWVNSTDCT-SECBINFHSA-N 0 3 229.324 0.151 20 0 BCADHN CCN(CCNCc1cncn1C)C1CC1 ZINC000218180897 169845587 /nfs/dbraw/zinc/84/55/87/169845587.db2.gz JYCPYZCZZVVVSQ-UHFFFAOYSA-N 0 3 222.336 0.994 20 0 BCADHN CC(C)NC(=O)NCCOCCN(C)C ZINC000226116023 134359559 /nfs/dbraw/zinc/35/95/59/134359559.db2.gz WONPQSYTXVMQHM-UHFFFAOYSA-N 0 3 217.313 0.272 20 0 BCADHN CC(C)n1cc(CN[C@@H]2CCC(=O)NC2)cn1 ZINC000226244179 134361978 /nfs/dbraw/zinc/36/19/78/134361978.db2.gz QKVZGRZXXUBULT-LLVKDONJSA-N 0 3 236.319 0.832 20 0 BCADHN COCCN1CCN(C[C@@H]2C[C@@H]2C)CC1 ZINC000488310260 532966202 /nfs/dbraw/zinc/96/62/02/532966202.db2.gz GYFDTRZQMASWIN-RYUDHWBXSA-N 0 3 212.337 0.906 20 0 BCADHN COCCN1CCN(C[C@H]2C[C@@H]2C)CC1 ZINC000488310259 532968114 /nfs/dbraw/zinc/96/81/14/532968114.db2.gz GYFDTRZQMASWIN-NWDGAFQWSA-N 0 3 212.337 0.906 20 0 BCADHN CC(C)NC(=O)CN[C@H]1CCCC[C@H]1C(N)=O ZINC000184814481 134369198 /nfs/dbraw/zinc/36/91/98/134369198.db2.gz MQCJENSDHIQZMW-ZJUUUORDSA-N 0 3 241.335 0.145 20 0 BCADHN OCCCCCN1CCO[C@]2(CCOC2)C1 ZINC000185136963 134372049 /nfs/dbraw/zinc/37/20/49/134372049.db2.gz GONMZTPBKBKKRY-GFCCVEGCSA-N 0 3 229.320 0.640 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCSC[C@@H]1C ZINC000227071186 134374065 /nfs/dbraw/zinc/37/40/65/134374065.db2.gz WXDLPBMMHUHAOR-WCBMZHEXSA-N 0 3 233.333 0.348 20 0 BCADHN COCCCN1CCO[C@@]2(CCOC2)C1 ZINC000185216419 134375318 /nfs/dbraw/zinc/37/53/18/134375318.db2.gz VCSICRIUPBQNCO-NSHDSACASA-N 0 3 215.293 0.514 20 0 BCADHN C[C@@H](NC(=O)CN)c1ccc2c(c1)OCCO2 ZINC000035018135 383825856 /nfs/dbraw/zinc/82/58/56/383825856.db2.gz CITJYPFTGHJEJD-MRVPVSSYSA-N 0 3 236.271 0.594 20 0 BCADHN CN(C(=O)CN[C@@H]1COCC1(C)C)C1CC1 ZINC000313072512 383836555 /nfs/dbraw/zinc/83/65/55/383836555.db2.gz XFDDOJZDRYVSMV-SNVBAGLBSA-N 0 3 226.320 0.622 20 0 BCADHN CC(C)N(C)C(=O)CN[C@H]1COCC1(C)C ZINC000313073895 383837152 /nfs/dbraw/zinc/83/71/52/383837152.db2.gz ZKSIWLVIXVBIOR-JTQLQIEISA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H](CNC(=O)c1ccc(F)nc1)N(C)C ZINC000069632772 383838811 /nfs/dbraw/zinc/83/88/11/383838811.db2.gz DDLIVKYPFORCKA-MRVPVSSYSA-N 0 3 225.267 0.901 20 0 BCADHN COC[C@@H](CO)NC[C@H](OC)C1CC1 ZINC000400186701 383842953 /nfs/dbraw/zinc/84/29/53/383842953.db2.gz AHAQSEBCQLKYFR-ZJUUUORDSA-N 0 3 203.282 0.008 20 0 BCADHN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)C1CC1 ZINC000111371069 383858113 /nfs/dbraw/zinc/85/81/13/383858113.db2.gz WQFOYRXIDOXCHC-CABZTGNLSA-N 0 3 248.330 0.914 20 0 BCADHN CC[C@H](N)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000037812751 383862569 /nfs/dbraw/zinc/86/25/69/383862569.db2.gz GAUZJXQHBWPESP-MNOVXSKESA-N 0 3 225.336 0.420 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000643732714 383863682 /nfs/dbraw/zinc/86/36/82/383863682.db2.gz NBMYTGNFIQSPIR-LMLFDSFASA-N 0 3 224.304 0.361 20 0 BCADHN C[C@@H]([NH3+])CCNC(=O)c1ccccc1[O-] ZINC000063170597 383880711 /nfs/dbraw/zinc/88/07/11/383880711.db2.gz FFEBMKBVFFZEOG-MRVPVSSYSA-N 0 3 208.261 0.859 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000643732717 383864486 /nfs/dbraw/zinc/86/44/86/383864486.db2.gz NBMYTGNFIQSPIR-YTWAJWBKSA-N 0 3 224.304 0.361 20 0 BCADHN CN(C)[C@H](CNC(=O)C1(N)CC1)c1ccccc1 ZINC000088130750 383881252 /nfs/dbraw/zinc/88/12/52/383881252.db2.gz VDILZFJZWMTDEF-GFCCVEGCSA-N 0 3 247.342 0.897 20 0 BCADHN NC1(C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000088129685 383881279 /nfs/dbraw/zinc/88/12/79/383881279.db2.gz ZUPNPSSHMUVNGG-UHFFFAOYSA-N 0 3 246.314 0.222 20 0 BCADHN COc1ncccc1C(=O)NC[C@H]1CCN(C)C1 ZINC000066653087 383877891 /nfs/dbraw/zinc/87/78/91/383877891.db2.gz YNODMNBAURQWJX-SNVBAGLBSA-N 0 3 249.314 0.772 20 0 BCADHN CC(C)(N)C(=O)Nc1nnc2ccccn21 ZINC000261564793 383908271 /nfs/dbraw/zinc/90/82/71/383908271.db2.gz CRTNQOGTXSXTPK-UHFFFAOYSA-N 0 3 219.248 0.405 20 0 BCADHN CCn1nnc(C)c1CN1CCC[C@]1(C)CO ZINC000560119117 383912417 /nfs/dbraw/zinc/91/24/17/383912417.db2.gz YRKISZMTMCKFLZ-GFCCVEGCSA-N 0 3 238.335 0.953 20 0 BCADHN C[C@@H]1CN(C[C@H](O)COC[C@H]2CCCO2)[C@H]1C ZINC000559350592 383919209 /nfs/dbraw/zinc/91/92/09/383919209.db2.gz OYGYAWHAHTYHFY-MROQNXINSA-N 0 3 243.347 0.883 20 0 BCADHN Cn1cncc1CNCCCC(=O)NC1CC1 ZINC000112341150 383919216 /nfs/dbraw/zinc/91/92/16/383919216.db2.gz HJYQBWRERSSWTE-UHFFFAOYSA-N 0 3 236.319 0.569 20 0 BCADHN C[C@H](CN1CCCC1=O)NCc1cncn1C ZINC000112342379 383920587 /nfs/dbraw/zinc/92/05/87/383920587.db2.gz QDASTMOZWIYNDJ-SNVBAGLBSA-N 0 3 236.319 0.521 20 0 BCADHN COCC[C@H](C)N[C@@H]1CS(=O)(=O)C[C@H]1C ZINC000348182432 383931437 /nfs/dbraw/zinc/93/14/37/383931437.db2.gz LGSFNRHSSWVTIT-KXUCPTDWSA-N 0 3 235.349 0.434 20 0 BCADHN O=S(=O)(CC1CCCC1)NCCNC1CC1 ZINC000647209969 383889278 /nfs/dbraw/zinc/88/92/78/383889278.db2.gz BNPSVUWBNPGTQL-UHFFFAOYSA-N 0 3 246.376 0.848 20 0 BCADHN C[C@@H](N[C@H]1CO[C@H](C)C1)C1(S(C)(=O)=O)CC1 ZINC000647210512 383899897 /nfs/dbraw/zinc/89/98/97/383899897.db2.gz KKEMRAGMBLNAMQ-OPRDCNLKSA-N 0 3 247.360 0.719 20 0 BCADHN C[C@H]1CCCN1S(=O)(=O)NCCNC1CC1 ZINC000647210674 383905141 /nfs/dbraw/zinc/90/51/41/383905141.db2.gz SRNPTLMZNJSWPC-VIFPVBQESA-N 0 3 247.364 0.057 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2ccon2)C1 ZINC000068340663 383983984 /nfs/dbraw/zinc/98/39/84/383983984.db2.gz DSDDBLIWAOZWCK-VIFPVBQESA-N 0 3 223.276 0.841 20 0 BCADHN CC(C)(N)C(=O)N1CCC(F)(F)CC1 ZINC000259555301 383985730 /nfs/dbraw/zinc/98/57/30/383985730.db2.gz RTZQDRLCOUBVQL-UHFFFAOYSA-N 0 3 206.236 0.981 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H](C)Cn1cccn1 ZINC000037621617 383989288 /nfs/dbraw/zinc/98/92/88/383989288.db2.gz HIFWGEBIDCXCCX-CMPLNLGQSA-N 0 3 238.335 0.905 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@H]1CCC[C@@H](F)C1 ZINC000518536817 383991406 /nfs/dbraw/zinc/99/14/06/383991406.db2.gz NWCGWHNHGGPRRA-OUAUKWLOSA-N 0 3 244.310 0.762 20 0 BCADHN C[C@@H]1NCCN(C(=O)[C@@H]2CCCO2)[C@H]1C ZINC000071518544 383997174 /nfs/dbraw/zinc/99/71/74/383997174.db2.gz XWCYLNRQZIGGHM-GUBZILKMSA-N 0 3 212.293 0.374 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1cnn(C)c1 ZINC000070589298 383937853 /nfs/dbraw/zinc/93/78/53/383937853.db2.gz DBCKGUMEQVDKTB-WPRPVWTQSA-N 0 3 213.281 0.078 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1cnn(C)c1 ZINC000070589299 383939401 /nfs/dbraw/zinc/93/94/01/383939401.db2.gz DBCKGUMEQVDKTB-SCZZXKLOSA-N 0 3 213.281 0.078 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCOCCOC ZINC000564880840 383939968 /nfs/dbraw/zinc/93/99/68/383939968.db2.gz FFWABJHIISHLRB-GFCCVEGCSA-N 0 3 230.352 0.675 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1ccccn1 ZINC000070558717 383941081 /nfs/dbraw/zinc/94/10/81/383941081.db2.gz HZUXDOLVACQITH-ZJUUUORDSA-N 0 3 210.277 0.740 20 0 BCADHN CC[C@@H](COC)NC(=O)[C@@H]1CCCCN1 ZINC000070626234 383944014 /nfs/dbraw/zinc/94/40/14/383944014.db2.gz KJYTYHLDUQUUBG-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN CO[C@@]1(C)C[C@H](NC(=O)C2(N)CC2)C1(C)C ZINC000237160030 383948098 /nfs/dbraw/zinc/94/80/98/383948098.db2.gz KKNVCQVXSVUUPW-KWQFWETISA-N 0 3 226.320 0.798 20 0 BCADHN COc1ncncc1CN[C@@](C)(CO)C(C)C ZINC000647212444 383955305 /nfs/dbraw/zinc/95/53/05/383955305.db2.gz VDHKQORTKMLBTQ-LBPRGKRZSA-N 0 3 239.319 0.982 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000363407885 383956463 /nfs/dbraw/zinc/95/64/63/383956463.db2.gz HWKYBZOMVHZVBV-KKOKHZNYSA-N 0 3 238.331 0.716 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1ccnn1C ZINC000070905814 383957473 /nfs/dbraw/zinc/95/74/73/383957473.db2.gz HAWFOCKARATUQR-SECBINFHSA-N 0 3 210.281 0.020 20 0 BCADHN C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccccn1 ZINC000068802383 384016264 /nfs/dbraw/zinc/01/62/64/384016264.db2.gz YJCOXOGJWYCORH-CHWSQXEVSA-N 0 3 248.374 0.978 20 0 BCADHN Cn1ccc(CN[C@]2(CCO)CCOC2)c1 ZINC000278554399 384017685 /nfs/dbraw/zinc/01/76/85/384017685.db2.gz ZPLCGCCTBGNNLL-GFCCVEGCSA-N 0 3 224.304 0.656 20 0 BCADHN CC(C)C(=O)NCCN[C@H]1CO[C@@H](C)C1 ZINC000401794119 384020228 /nfs/dbraw/zinc/02/02/28/384020228.db2.gz PKYILNDGZXGMDG-VHSXEESVSA-N 0 3 214.309 0.526 20 0 BCADHN CCN1C[C@H](N[C@@H]2CO[C@@H](C)C2)CC1=O ZINC000401790469 384020354 /nfs/dbraw/zinc/02/03/54/384020354.db2.gz NJYRFDGBRSJDCQ-AEJSXWLSSA-N 0 3 212.293 0.374 20 0 BCADHN O=C1NC[C@H]2CN(C[C@H]3CCSC3)CCN12 ZINC000336502985 384020993 /nfs/dbraw/zinc/02/09/93/384020993.db2.gz KTQGJCKFPQFJFB-ZJUUUORDSA-N 0 3 241.360 0.449 20 0 BCADHN O=C1NC[C@H]2CN(C[C@@H]3CCSC3)CCN12 ZINC000336502983 384021070 /nfs/dbraw/zinc/02/10/70/384021070.db2.gz KTQGJCKFPQFJFB-UWVGGRQHSA-N 0 3 241.360 0.449 20 0 BCADHN COc1ncncc1CNC(C)(C)CN(C)C ZINC000647216438 384021819 /nfs/dbraw/zinc/02/18/19/384021819.db2.gz KFQKNTCJBXACOC-UHFFFAOYSA-N 0 3 238.335 0.915 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)CC1CCCC1 ZINC000152724972 384022891 /nfs/dbraw/zinc/02/28/91/384022891.db2.gz ZUVYZYYLKBTWIK-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN COC[C@H](O)CNCc1ccc(F)nc1C ZINC000278575528 384014640 /nfs/dbraw/zinc/01/46/40/384014640.db2.gz XXFYQDASBGGARF-SNVBAGLBSA-N 0 3 228.267 0.626 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CCC(C)(O)CC1 ZINC000335866017 384043031 /nfs/dbraw/zinc/04/30/31/384043031.db2.gz HLGKYBFODSXMHD-JTQLQIEISA-N 0 3 226.320 0.454 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2ccnc(CN)c2)[C@H]1C ZINC000648127658 384053891 /nfs/dbraw/zinc/05/38/91/384053891.db2.gz DTWGHGUJIJFWOG-UWVGGRQHSA-N 0 3 248.330 0.363 20 0 BCADHN COC[C@@H](O)CNCc1cccc(N(C)C)c1 ZINC000569448942 384051177 /nfs/dbraw/zinc/05/11/77/384051177.db2.gz GNHNYEWNRWDMPJ-ZDUSSCGKSA-N 0 3 238.331 0.850 20 0 BCADHN C[C@H](NC[C@H](O)Cn1cccn1)c1ccccn1 ZINC000037889242 384032303 /nfs/dbraw/zinc/03/23/03/384032303.db2.gz AEFAPAXRLZUYLR-RYUDHWBXSA-N 0 3 246.314 0.990 20 0 BCADHN COCC(COC)N[C@H]1CO[C@@H](C)C1 ZINC000401801777 384035696 /nfs/dbraw/zinc/03/56/96/384035696.db2.gz VBKUWHOZUUDSEI-DTWKUNHWSA-N 0 3 203.282 0.415 20 0 BCADHN CCOC[C@H](O)CN[C@@H](CO)c1ccccc1 ZINC000069278709 384039463 /nfs/dbraw/zinc/03/94/63/384039463.db2.gz HSWUSCZSHZLDSH-OLZOCXBDSA-N 0 3 239.315 0.707 20 0 BCADHN CN(C)CCNC(=O)[C@H](O)c1ccccc1 ZINC000038435796 384084907 /nfs/dbraw/zinc/08/49/07/384084907.db2.gz GCMMVUTVTCJQTN-LLVKDONJSA-N 0 3 222.288 0.398 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@H]1CCN(C2CC2)C1=O ZINC000309464054 384088110 /nfs/dbraw/zinc/08/81/10/384088110.db2.gz OSVQKCQMISGSCZ-QXEWZRGKSA-N 0 3 226.320 0.763 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)NCCN(C)C ZINC000332502595 384057296 /nfs/dbraw/zinc/05/72/96/384057296.db2.gz URRTUYALGRRXCA-SNVBAGLBSA-N 0 3 202.298 0.071 20 0 BCADHN CC[C@@H]1CN(CCC(=O)NC(N)=O)CCS1 ZINC000076072373 384059233 /nfs/dbraw/zinc/05/92/33/384059233.db2.gz VSNULQBEGGGWNZ-MRVPVSSYSA-N 0 3 245.348 0.399 20 0 BCADHN O=C(CCn1ccnc1)N[C@H]1CCN(C2CC2)C1 ZINC000518607123 384067265 /nfs/dbraw/zinc/06/72/65/384067265.db2.gz XXJYCADZSWEYFL-NSHDSACASA-N 0 3 248.330 0.626 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccn2ccnc2c1 ZINC000262659941 384076996 /nfs/dbraw/zinc/07/69/96/384076996.db2.gz FMQOTCIDDDGKRY-JTQLQIEISA-N 0 3 232.287 0.688 20 0 BCADHN OC[C@H]1C=C[C@@H](NC[C@H](O)C(F)(F)F)C1 ZINC000564975711 384091341 /nfs/dbraw/zinc/09/13/41/384091341.db2.gz ODBXDKKDLKUGGF-RNJXMRFFSA-N 0 3 225.210 0.436 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCOC1)c1ccccn1 ZINC000090848850 384078022 /nfs/dbraw/zinc/07/80/22/384078022.db2.gz GQXJKRYIUUIWNY-PWSUYJOCSA-N 0 3 222.288 0.884 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@H](C)c1ccc(=O)[nH]n1 ZINC000309450284 384079054 /nfs/dbraw/zinc/07/90/54/384079054.db2.gz KYBYSMLGARVUFK-YIZRAAEISA-N 0 3 225.292 0.844 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc[nH]n1 ZINC000115432684 384080135 /nfs/dbraw/zinc/08/01/35/384080135.db2.gz FYQPSTADTIOHLF-SNVBAGLBSA-N 0 3 236.319 0.824 20 0 BCADHN CCOC(=O)CC(=O)N[C@H]1CCCN(C)C1 ZINC000082290007 384102965 /nfs/dbraw/zinc/10/29/65/384102965.db2.gz IRJASWGSIORRGU-VIFPVBQESA-N 0 3 228.292 0.150 20 0 BCADHN COc1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1O ZINC000569482920 384107379 /nfs/dbraw/zinc/10/73/79/384107379.db2.gz ZIKNHEGGFCZXSX-SFYZADRCSA-N 0 3 222.244 0.687 20 0 BCADHN CNS(=O)(=O)C1CCN(C2CCCC2)CC1 ZINC000336553479 384113857 /nfs/dbraw/zinc/11/38/57/384113857.db2.gz KOWZCTBRCAZSHT-UHFFFAOYSA-N 0 3 246.376 0.943 20 0 BCADHN O=C1NCC[C@H]1N1CC[C@@H](N2CCCCC2)C1 ZINC000336553497 384115162 /nfs/dbraw/zinc/11/51/62/384115162.db2.gz PKLPLNKXPITANM-VXGBXAGGSA-N 0 3 237.347 0.435 20 0 BCADHN CN(Cc1ccco1)C(=O)C[C@@H]1CNCCO1 ZINC000091299412 384115420 /nfs/dbraw/zinc/11/54/20/384115420.db2.gz WIXRLRASATYMRA-LLVKDONJSA-N 0 3 238.287 0.617 20 0 BCADHN Cc1ccc(CNC(=O)C[C@H]2CNCCO2)cn1 ZINC000091311907 384117054 /nfs/dbraw/zinc/11/70/54/384117054.db2.gz KABCCQXUPXADBI-LBPRGKRZSA-N 0 3 249.314 0.385 20 0 BCADHN Cc1cnccc1NC(=O)C[C@@H]1CNCCO1 ZINC000091312265 384117096 /nfs/dbraw/zinc/11/70/96/384117096.db2.gz SOPIXYQWRLMLOR-SNVBAGLBSA-N 0 3 235.287 0.707 20 0 BCADHN O=C1CCCN1[C@@H]1CCCN(CCO)C1 ZINC000308734196 384094094 /nfs/dbraw/zinc/09/40/94/384094094.db2.gz XBCPTLHYMIIHNV-SNVBAGLBSA-N 0 3 212.293 0.066 20 0 BCADHN C[C@@H](NCCOCCO)c1cncs1 ZINC000132198014 384135991 /nfs/dbraw/zinc/13/59/91/384135991.db2.gz VCYMTSQVDIVIKQ-MRVPVSSYSA-N 0 3 216.306 0.803 20 0 BCADHN C[C@@H](Cn1cccn1)N[C@@H]1CCN(C)C1=O ZINC000070583153 384122132 /nfs/dbraw/zinc/12/21/32/384122132.db2.gz XJDOJKKWNFTRSN-VHSXEESVSA-N 0 3 222.292 0.092 20 0 BCADHN CC(C)[C@H](CCO)N[C@@H](C)CS(C)(=O)=O ZINC000132216946 384147312 /nfs/dbraw/zinc/14/73/12/384147312.db2.gz RASAHAPQYXYGCE-UWVGGRQHSA-N 0 3 237.365 0.416 20 0 BCADHN CCN(C(=O)[C@@H]1CCCN1C1CC1)[C@H](C)CO ZINC000358787491 384155920 /nfs/dbraw/zinc/15/59/20/384155920.db2.gz MEAXRAJWDFOFOA-PWSUYJOCSA-N 0 3 240.347 0.843 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccnn1C ZINC000070905672 384141079 /nfs/dbraw/zinc/14/10/79/384141079.db2.gz GHWPPVKZVDOJMN-SCZZXKLOSA-N 0 3 224.308 0.410 20 0 BCADHN C[C@@H](C(=O)N1CCCCC1)N1CC[C@@](C)(O)C1 ZINC000227771377 134393658 /nfs/dbraw/zinc/39/36/58/134393658.db2.gz QFGZRNGYDMTDIC-WCQYABFASA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H]1C[C@H](NC[C@@H](O)C(F)(F)F)CO1 ZINC000401853796 384144800 /nfs/dbraw/zinc/14/48/00/384144800.db2.gz DXWWXNCTLFBLNE-DSYKOEDSSA-N 0 3 213.199 0.677 20 0 BCADHN CCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000080615087 384171604 /nfs/dbraw/zinc/17/16/04/384171604.db2.gz HFZHDTPWBMJREQ-MNOVXSKESA-N 0 3 246.376 0.895 20 0 BCADHN COC[C@H](O)CNCc1sc(C)nc1C ZINC000080694876 384172550 /nfs/dbraw/zinc/17/25/50/384172550.db2.gz DUERJQVETUTYHT-SECBINFHSA-N 0 3 230.333 0.857 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1cnn(C)c1 ZINC000041055138 384176857 /nfs/dbraw/zinc/17/68/57/384176857.db2.gz YGPBOXBVTBFUBH-LLVKDONJSA-N 0 3 224.308 0.554 20 0 BCADHN CS[C@H](CO)[C@@H](C)NCc1ccnn1C ZINC000080204124 384162477 /nfs/dbraw/zinc/16/24/77/384162477.db2.gz NEBVKVQNZUOMGU-PSASIEDQSA-N 0 3 229.349 0.622 20 0 BCADHN CN(C)C[C@H](NC(=O)CN)c1ccccc1 ZINC000040809084 384165744 /nfs/dbraw/zinc/16/57/44/384165744.db2.gz ABUWRGOEHDSTEJ-NSHDSACASA-N 0 3 221.304 0.364 20 0 BCADHN CN(C)C[C@@H](NC(=O)CN)c1ccccc1 ZINC000040809086 384166032 /nfs/dbraw/zinc/16/60/32/384166032.db2.gz ABUWRGOEHDSTEJ-LLVKDONJSA-N 0 3 221.304 0.364 20 0 BCADHN CCCCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000560505357 384176479 /nfs/dbraw/zinc/17/64/79/384176479.db2.gz LZLMFRCZOQYUIY-CYBMUJFWSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@H](NCc1cnnn1C)[C@@H]1CCCOC1 ZINC000309744168 384169180 /nfs/dbraw/zinc/16/91/80/384169180.db2.gz FDIFPGJUVNYWPX-VHSXEESVSA-N 0 3 224.308 0.720 20 0 BCADHN NCC(=O)NCCOc1ccc(F)cc1F ZINC000041252178 384184683 /nfs/dbraw/zinc/18/46/83/384184683.db2.gz UHBAFKWFONAQIS-UHFFFAOYSA-N 0 3 230.214 0.419 20 0 BCADHN CC[C@H]1CCN1CCN1C(=O)CNC1=O ZINC000408382892 384179419 /nfs/dbraw/zinc/17/94/19/384179419.db2.gz UDUNJKZGYBDGHJ-QMMMGPOBSA-N 0 3 211.265 0.023 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1O ZINC000187149351 384182225 /nfs/dbraw/zinc/18/22/25/384182225.db2.gz URJFHDJFGUXQMG-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN Cc1ccc(OCCCNC(=O)CN)cc1 ZINC000041240549 384183229 /nfs/dbraw/zinc/18/32/29/384183229.db2.gz IVOLIEYJIJWKTR-UHFFFAOYSA-N 0 3 222.288 0.839 20 0 BCADHN CCCS(=O)(=O)NCCN(C)C(C)C ZINC000081570459 384187076 /nfs/dbraw/zinc/18/70/76/384187076.db2.gz GCAHISXLECVLHE-UHFFFAOYSA-N 0 3 222.354 0.656 20 0 BCADHN CC[C@H](C)N1CCC[C@H](S(=O)(=O)NC)C1 ZINC000558607557 384193101 /nfs/dbraw/zinc/19/31/01/384193101.db2.gz ILMYLVICSPYEIK-UWVGGRQHSA-N 0 3 234.365 0.799 20 0 BCADHN OCCNCc1ccc(-c2cc[nH]n2)o1 ZINC000278776264 384193931 /nfs/dbraw/zinc/19/39/31/384193931.db2.gz YRSLYEDNHOMGDF-UHFFFAOYSA-N 0 3 207.233 0.752 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)NCCNc1ccncc1 ZINC000356543162 384195085 /nfs/dbraw/zinc/19/50/85/384195085.db2.gz YLJCGTKVRRLPNO-JQWIXIFHSA-N 0 3 249.314 0.457 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C(C)(C)N)CN1C1CC1 ZINC000237438630 384197269 /nfs/dbraw/zinc/19/72/69/384197269.db2.gz DHBLBGZYCREHLC-BDAKNGLRSA-N 0 3 225.336 0.465 20 0 BCADHN CO[C@H](C(=O)NCCN1CCCC1)C1CC1 ZINC000471643730 533045034 /nfs/dbraw/zinc/04/50/34/533045034.db2.gz RUCAVQABGRKQFX-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN O=C(N[C@H]1CCOC1)[C@H]1CNCCC1(F)F ZINC000644160461 384231860 /nfs/dbraw/zinc/23/18/60/384231860.db2.gz PZVFVIJTXBOENH-JGVFFNPUSA-N 0 3 234.246 0.136 20 0 BCADHN CC(C)n1nccc1C(=O)NCCN(C)C ZINC000132489779 384232946 /nfs/dbraw/zinc/23/29/46/384232946.db2.gz YLYAJKFJGAFBIQ-UHFFFAOYSA-N 0 3 224.308 0.755 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C1(C)CCC1 ZINC000153216613 384237157 /nfs/dbraw/zinc/23/71/57/384237157.db2.gz RTDOWUBFRWGGAW-LBPRGKRZSA-N 0 3 228.336 0.605 20 0 BCADHN CCCCNC(=O)CN[C@H](C)Cn1cccn1 ZINC000042269816 384210579 /nfs/dbraw/zinc/21/05/79/384210579.db2.gz TXJJTLHBKJJIRJ-LLVKDONJSA-N 0 3 238.335 0.778 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CCCC[C@@H]1O ZINC000081901073 384211492 /nfs/dbraw/zinc/21/14/92/384211492.db2.gz MDZNGQLWJKTCNC-UTLUCORTSA-N 0 3 235.349 0.313 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@@H]1CCCCO1 ZINC000081900919 384212055 /nfs/dbraw/zinc/21/20/55/384212055.db2.gz FQSBJDFMVSBEHR-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@H](O)[C@@H]1CCN(CCc2cnccn2)C1 ZINC000402883776 384213906 /nfs/dbraw/zinc/21/39/06/384213906.db2.gz AMCKFTKJVGOJCY-WDEREUQCSA-N 0 3 221.304 0.722 20 0 BCADHN CN(C)C(=O)CNCCCc1cnn(C)c1 ZINC000314678458 384218654 /nfs/dbraw/zinc/21/86/54/384218654.db2.gz JYFDNPAPRQBMFG-UHFFFAOYSA-N 0 3 224.308 0.031 20 0 BCADHN CN(C[C@@H](O)CSc1nncn1C)C1CC1 ZINC000331485976 384218714 /nfs/dbraw/zinc/21/87/14/384218714.db2.gz OQZSALHFQDKVKR-SECBINFHSA-N 0 3 242.348 0.362 20 0 BCADHN CO[C@@H]1CCC[C@@H]1CNC(=O)CNC1CC1 ZINC000644155720 384221002 /nfs/dbraw/zinc/22/10/02/384221002.db2.gz CQEWEZYMHCLYBC-MWLCHTKSSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H]1CCN(CCc2cnccn2)[C@H]1CO ZINC000402891559 384221512 /nfs/dbraw/zinc/22/15/12/384221512.db2.gz FSEUAVKGPDKSER-PWSUYJOCSA-N 0 3 221.304 0.722 20 0 BCADHN C[C@@H]1C[C@@H](CNC(=O)[C@H]2NCC2(C)C)CCO1 ZINC000644157617 384226761 /nfs/dbraw/zinc/22/67/61/384226761.db2.gz CFZZBBFAELAFLO-OUAUKWLOSA-N 0 3 240.347 0.916 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000336606885 384227108 /nfs/dbraw/zinc/22/71/08/384227108.db2.gz ZWRPGDNBSDGZNX-AAEUAGOBSA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)N[C@H]2CCCN(C)C2)C1 ZINC000623716362 384227337 /nfs/dbraw/zinc/22/73/37/384227337.db2.gz NOTIOOQYNQMXDN-DCAQKATOSA-N 0 3 241.335 0.557 20 0 BCADHN Cn1ccnc1CNCC1CCOCC1 ZINC000082394998 384228194 /nfs/dbraw/zinc/22/81/94/384228194.db2.gz SGDLBLBZUUOLAI-UHFFFAOYSA-N 0 3 209.293 0.936 20 0 BCADHN CC[C@H](CO)[NH2+]Cc1nc(C)ccc1[O-] ZINC000082420296 384228363 /nfs/dbraw/zinc/22/83/63/384228363.db2.gz VUBNRIBDSUKHTQ-SECBINFHSA-N 0 3 210.277 0.956 20 0 BCADHN C[C@@]1(CNC(=O)CN)CCCC[C@H]1O ZINC000237475961 384228331 /nfs/dbraw/zinc/22/83/31/384228331.db2.gz SZYOKBRRALHJOH-SCZZXKLOSA-N 0 3 200.282 0.003 20 0 BCADHN CC[C@@H](N)C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000569558826 384229172 /nfs/dbraw/zinc/22/91/72/384229172.db2.gz URYYUBQEKQYESQ-OLZOCXBDSA-N 0 3 247.342 0.897 20 0 BCADHN CC[C@H]1C[C@@H](NC(=O)C2(N)CC2)CCO1 ZINC000644164943 384244297 /nfs/dbraw/zinc/24/42/97/384244297.db2.gz KXNRTORNXZWEQU-IUCAKERBSA-N 0 3 212.293 0.552 20 0 BCADHN CC[C@](C)(CN[C@@H]1CC(=O)N(C)C1)OC ZINC000319450427 384249791 /nfs/dbraw/zinc/24/97/91/384249791.db2.gz MZIHYICXHRINPI-MWLCHTKSSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)C[C@@H](O)c1ccccc1 ZINC000119233261 384251147 /nfs/dbraw/zinc/25/11/47/384251147.db2.gz HYNKPHZRCKHMQD-CKYFFXLPSA-N 0 3 236.315 0.962 20 0 BCADHN C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@H](C)N ZINC000119232036 384251215 /nfs/dbraw/zinc/25/12/15/384251215.db2.gz HYNKPHZRCKHMQD-SCVCMEIPSA-N 0 3 236.315 0.962 20 0 BCADHN COCCN(CC1CCC1)[C@@H](C)C(N)=O ZINC000173705189 384253048 /nfs/dbraw/zinc/25/30/48/384253048.db2.gz MSMZYELNVLOUEO-VIFPVBQESA-N 0 3 214.309 0.609 20 0 BCADHN C[C@@H]1C[C@@H](NCC(=O)NCC(F)F)CO1 ZINC000401906267 384254598 /nfs/dbraw/zinc/25/45/98/384254598.db2.gz UCBFIVFRCXUWIM-RNFRBKRXSA-N 0 3 222.235 0.135 20 0 BCADHN CCN(CC)CC(=O)NCc1cnn(C)c1C ZINC000119285737 384255670 /nfs/dbraw/zinc/25/56/70/384255670.db2.gz LKFNWUMHHMNPDJ-UHFFFAOYSA-N 0 3 238.335 0.687 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@@H](C)[C@H]1CO ZINC000305170546 384271631 /nfs/dbraw/zinc/27/16/31/384271631.db2.gz JLROCDSIKWGQCB-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN COC(=O)CCNC(=O)CN1CC[C@H](C)[C@@H]1C ZINC000248337992 384274932 /nfs/dbraw/zinc/27/49/32/384274932.db2.gz HPTDKJHWFSLDFK-UWVGGRQHSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@H](C)C[C@H](O)C1 ZINC000332126058 384304859 /nfs/dbraw/zinc/30/48/59/384304859.db2.gz IOJMUPMTTFNVKR-KKZNHRDASA-N 0 3 226.320 0.356 20 0 BCADHN C[C@@H]1C[C@H](Nc2cncc(C(N)=O)n2)CCN1C ZINC000426901214 384305422 /nfs/dbraw/zinc/30/54/22/384305422.db2.gz PSOLUBOMSLSDHK-RKDXNWHRSA-N 0 3 249.318 0.470 20 0 BCADHN CCSCCN[C@H]1COC[C@H]1n1ccnn1 ZINC000332340895 384308107 /nfs/dbraw/zinc/30/81/07/384308107.db2.gz FCRCUQQOYPYXRD-VHSXEESVSA-N 0 3 242.348 0.561 20 0 BCADHN Cc1ccc(O)c(NC(=O)[C@@H]2C[C@H](O)CN2)c1 ZINC000094574239 384308093 /nfs/dbraw/zinc/30/80/93/384308093.db2.gz LDKTUUOXDKZLQE-WPRPVWTQSA-N 0 3 236.271 0.362 20 0 BCADHN Cc1noc(CCCN2CCC[C@H](O)C2)n1 ZINC000336664207 384308527 /nfs/dbraw/zinc/30/85/27/384308527.db2.gz CUPJVJXRXOPWTN-JTQLQIEISA-N 0 3 225.292 0.767 20 0 BCADHN CN(C)CCNC(=O)c1noc2c1CCCC2 ZINC000119842835 384308583 /nfs/dbraw/zinc/30/85/83/384308583.db2.gz YJUGUBGVDJQTAY-UHFFFAOYSA-N 0 3 237.303 0.845 20 0 BCADHN C[C@@H](NC(=O)NCCN(C)C)c1cnn(C)c1 ZINC000133742432 384311418 /nfs/dbraw/zinc/31/14/18/384311418.db2.gz KSGARYSKIREASM-SECBINFHSA-N 0 3 239.323 0.342 20 0 BCADHN C[C@](O)(CN[C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000332214710 384311512 /nfs/dbraw/zinc/31/15/12/384311512.db2.gz WMMYFEFBOCNIOK-MNOVXSKESA-N 0 3 247.360 0.314 20 0 BCADHN CNC(=O)[C@H](CC(C)C)N[C@@H]1CO[C@H](C)C1 ZINC000401934601 384314233 /nfs/dbraw/zinc/31/42/33/384314233.db2.gz ZOIBCEKUOGNALQ-VWYCJHECSA-N 0 3 228.336 0.914 20 0 BCADHN Cc1c(CNC(=O)CN(C)C(C)C)cnn1C ZINC000119937855 384319636 /nfs/dbraw/zinc/31/96/36/384319636.db2.gz FBZACRJOOKRFMI-UHFFFAOYSA-N 0 3 238.335 0.685 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@](C)(O)C1 ZINC000300011097 384279028 /nfs/dbraw/zinc/27/90/28/384279028.db2.gz HGWBVCHINMOWDC-KCJUWKMLSA-N 0 3 212.293 0.110 20 0 BCADHN C=Cn1cc(CNCC2([S@](C)=O)CC2)cn1 ZINC000282445761 384280236 /nfs/dbraw/zinc/28/02/36/384280236.db2.gz SEMSRNMTBFYCLW-INIZCTEOSA-N 0 3 239.344 0.984 20 0 BCADHN C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc2n[n-]nc2c1 ZINC000569577089 384280318 /nfs/dbraw/zinc/28/03/18/384280318.db2.gz LLQKMCRKMSLFKZ-JGVFFNPUSA-N 0 3 247.302 0.814 20 0 BCADHN C[C@@H]1C[C@H](NCCNC(=O)C2CC2)CO1 ZINC000401914564 384280351 /nfs/dbraw/zinc/28/03/51/384280351.db2.gz ZQZXGCQYUUILNT-SCZZXKLOSA-N 0 3 212.293 0.280 20 0 BCADHN CCOC[C@H](O)CN1CC[C@H](OC)C1 ZINC000300036408 384280746 /nfs/dbraw/zinc/28/07/46/384280746.db2.gz AJBRYBBGOUNQQB-ZJUUUORDSA-N 0 3 203.282 0.105 20 0 BCADHN CC[C@H](O)CN1C[C@@H](OC)[C@H](OC)C1 ZINC000300041589 384281660 /nfs/dbraw/zinc/28/16/60/384281660.db2.gz LJDIJJOJSMMERW-IVZWLZJFSA-N 0 3 203.282 0.103 20 0 BCADHN CCC[C@H](O)CN1C[C@@H](OC)[C@H](OC)C1 ZINC000300042359 384282401 /nfs/dbraw/zinc/28/24/01/384282401.db2.gz OXCQYLRKEBRFCR-HBNTYKKESA-N 0 3 217.309 0.493 20 0 BCADHN Cc1csc(CNC(=O)NCCN(C)C)n1 ZINC000133378936 384288269 /nfs/dbraw/zinc/28/82/69/384288269.db2.gz HBIJPDPNUFTASK-UHFFFAOYSA-N 0 3 242.348 0.812 20 0 BCADHN CC[C@H](NC(=O)[C@@H](C)N)c1ccncc1 ZINC000168701973 384293677 /nfs/dbraw/zinc/29/36/77/384293677.db2.gz IRPCIUGWABODAN-SCZZXKLOSA-N 0 3 207.277 0.996 20 0 BCADHN COCc1cc(CNC(=O)[C@H](C)N)ccc1F ZINC000159001308 384294739 /nfs/dbraw/zinc/29/47/39/384294739.db2.gz DGODABPFZZYGTI-QMMMGPOBSA-N 0 3 240.278 0.936 20 0 BCADHN CN(C)CCNC(=O)[C@@H](N)c1ccccc1 ZINC000011754713 384295796 /nfs/dbraw/zinc/29/57/96/384295796.db2.gz RZFGIIROVIYOCD-NSHDSACASA-N 0 3 221.304 0.364 20 0 BCADHN CC1(C)CCCC[C@@H]1NC(=O)C(=O)NCCN ZINC000094321308 384298218 /nfs/dbraw/zinc/29/82/18/384298218.db2.gz YVQZSNCLANBRSV-VIFPVBQESA-N 0 3 241.335 0.146 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C)c(C)n1C ZINC000074701810 384299681 /nfs/dbraw/zinc/29/96/81/384299681.db2.gz ADUMHBXOXZJNGE-UHFFFAOYSA-N 0 3 223.320 0.933 20 0 BCADHN CC[C@H](NCCOCCO)c1cnn(C)c1 ZINC000159094527 384300159 /nfs/dbraw/zinc/30/01/59/384300159.db2.gz GONDWFPMQLGTHS-NSHDSACASA-N 0 3 227.308 0.470 20 0 BCADHN CN(C)CCNC(=O)NOCc1ccccc1 ZINC000133613434 384303859 /nfs/dbraw/zinc/30/38/59/384303859.db2.gz ZGAMOWPCNAWGOW-UHFFFAOYSA-N 0 3 237.303 0.979 20 0 BCADHN CN(Cc1cscn1)C(=O)C1(N)CC1 ZINC000083835611 384336090 /nfs/dbraw/zinc/33/60/90/384336090.db2.gz JSGXJMROXBOQON-UHFFFAOYSA-N 0 3 211.290 0.593 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@H](CO)C1CC1 ZINC000359655487 384337289 /nfs/dbraw/zinc/33/72/89/384337289.db2.gz ULAXROVAXDOJOV-MWLCHTKSSA-N 0 3 243.351 0.254 20 0 BCADHN C[C@@H]1C[C@H](NC2COCCOC2)CO1 ZINC000401956078 384337880 /nfs/dbraw/zinc/33/78/80/384337880.db2.gz ZPCIYCNOUDUYDF-BDAKNGLRSA-N 0 3 201.266 0.169 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@@H](CO)C1CC1 ZINC000308834912 384339154 /nfs/dbraw/zinc/33/91/54/384339154.db2.gz HTAPYEWZNDPAKC-WPRPVWTQSA-N 0 3 235.349 0.028 20 0 BCADHN CN(C)CCNC(=O)Nc1cccc(F)n1 ZINC000134236931 384339412 /nfs/dbraw/zinc/33/94/12/384339412.db2.gz LMNUMHNJFTYGBR-UHFFFAOYSA-N 0 3 226.255 0.904 20 0 BCADHN C[C@H](N)C(=O)NCc1nc2ccccc2[nH]1 ZINC000083889203 384341324 /nfs/dbraw/zinc/34/13/24/384341324.db2.gz FWKPQKXMASWCGN-ZETCQYMHSA-N 0 3 218.260 0.526 20 0 BCADHN Cn1ccc(NC(=O)[C@@]2(C)CCCCN2)n1 ZINC000159558849 384342993 /nfs/dbraw/zinc/34/29/93/384342993.db2.gz FJKNUGMOOMYION-LLVKDONJSA-N 0 3 222.292 0.891 20 0 BCADHN CN(Cc1nc2c(s1)CCCC2)C(=O)CN ZINC000083933015 384347146 /nfs/dbraw/zinc/34/71/46/384347146.db2.gz COIUKCIJNOFRIY-UHFFFAOYSA-N 0 3 239.344 0.939 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@H](C)[C@H]2C)nn1C ZINC000334144478 384351405 /nfs/dbraw/zinc/35/14/05/384351405.db2.gz HLEPWNMCARMGNC-NXEZZACHSA-N 0 3 236.319 0.551 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)nn1C ZINC000334144483 384351568 /nfs/dbraw/zinc/35/15/68/384351568.db2.gz HLEPWNMCARMGNC-ZJUUUORDSA-N 0 3 236.319 0.551 20 0 BCADHN Cc1csc(N2CCN(C(=O)CN)CC2)n1 ZINC000083961412 384351573 /nfs/dbraw/zinc/35/15/73/384351573.db2.gz VOXXHFMQCWIAFP-UHFFFAOYSA-N 0 3 240.332 0.059 20 0 BCADHN COc1cc(N2CCCN(C)CC2)ncn1 ZINC000120418149 384352885 /nfs/dbraw/zinc/35/28/85/384352885.db2.gz QKTPWFNBGYBJQC-UHFFFAOYSA-N 0 3 222.292 0.627 20 0 BCADHN CC[C@H](COC)N[C@@H](C)CS(=O)(=O)CC ZINC000089637127 384355419 /nfs/dbraw/zinc/35/54/19/384355419.db2.gz FETDMQAJCUUUKI-VHSXEESVSA-N 0 3 237.365 0.824 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)C[C@H]1CNCCO1 ZINC000300358130 384357648 /nfs/dbraw/zinc/35/76/48/384357648.db2.gz BVTDEDFSSVOHPK-KXUCPTDWSA-N 0 3 212.293 0.280 20 0 BCADHN O=C(NCc1c[nH]cn1)[C@H]1CCCCN1 ZINC000084081068 384360338 /nfs/dbraw/zinc/36/03/38/384360338.db2.gz VKUCPYQXYKKONI-SECBINFHSA-N 0 3 208.265 0.168 20 0 BCADHN COC[C@H](NC[C@H](C)O)[C@H]1CCCO1 ZINC000330363918 384363124 /nfs/dbraw/zinc/36/31/24/384363124.db2.gz YSPSSRPZSLTFCJ-LPEHRKFASA-N 0 3 203.282 0.151 20 0 BCADHN COc1ncncc1CNCCCn1cccn1 ZINC000647169793 384364821 /nfs/dbraw/zinc/36/48/21/384364821.db2.gz BEVXVZPMTBDTBV-UHFFFAOYSA-N 0 3 247.302 0.862 20 0 BCADHN CC(=O)NCCCN[C@H](C)c1ncc[nH]1 ZINC000330363887 384365244 /nfs/dbraw/zinc/36/52/44/384365244.db2.gz XVZULMIKTKIBSL-MRVPVSSYSA-N 0 3 210.281 0.587 20 0 BCADHN COC[C@H]1CCN([C@H](C(=O)OC)C2CC2)C1 ZINC000084095134 384367244 /nfs/dbraw/zinc/36/72/44/384367244.db2.gz CPMMTODKYYZQMX-ONGXEEELSA-N 0 3 227.304 0.906 20 0 BCADHN Cc1nc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)n[nH]1 ZINC000331531225 384369476 /nfs/dbraw/zinc/36/94/76/384369476.db2.gz QZMCGFFBYHYCCP-DCAQKATOSA-N 0 3 236.319 0.706 20 0 BCADHN C[C@@H]1OCC[C@H]1NCC1(S(C)(=O)=O)CC1 ZINC000331528910 384370247 /nfs/dbraw/zinc/37/02/47/384370247.db2.gz SAXPPPLRJBLYAB-DTWKUNHWSA-N 0 3 233.333 0.331 20 0 BCADHN Cc1nc(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)n[nH]1 ZINC000331531220 384371135 /nfs/dbraw/zinc/37/11/35/384371135.db2.gz QZMCGFFBYHYCCP-AXFHLTTASA-N 0 3 236.319 0.706 20 0 BCADHN Cc1cnc(CNC[C@H](C)CCO)n1C ZINC000308829314 384329716 /nfs/dbraw/zinc/32/97/16/384329716.db2.gz FPVDBEVYOWZHHP-SECBINFHSA-N 0 3 211.309 0.837 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1CO[C@@H](C)C1 ZINC000401955179 384331220 /nfs/dbraw/zinc/33/12/20/384331220.db2.gz YJOLFWMEZFDEKK-CIUDSAMLSA-N 0 3 200.282 0.278 20 0 BCADHN C[C@]1(CNC(=O)[C@@H](N)C2CCC2)CCOC1 ZINC000331565251 384392794 /nfs/dbraw/zinc/39/27/94/384392794.db2.gz JNWXFWZNNKTDJH-CMPLNLGQSA-N 0 3 226.320 0.657 20 0 BCADHN CC[C@H](CO)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000075959301 384392970 /nfs/dbraw/zinc/39/29/70/384392970.db2.gz VSABDCVPWHTXQD-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN [O-]c1cc(F)cc(CN2CC[NH2+]CC2)c1 ZINC000084476693 384399533 /nfs/dbraw/zinc/39/95/33/384399533.db2.gz ZTSNDIPZQBXOMS-UHFFFAOYSA-N 0 3 210.252 0.937 20 0 BCADHN CN(Cc1ccnc(N)c1)C1CC(O)C1 ZINC000308859842 384400974 /nfs/dbraw/zinc/40/09/74/384400974.db2.gz UXTPMDIGFCZDEG-UHFFFAOYSA-N 0 3 207.277 0.619 20 0 BCADHN C[C@H](NCCCNS(C)(=O)=O)c1ccco1 ZINC000121263398 384407177 /nfs/dbraw/zinc/40/71/77/384407177.db2.gz XGZPUQFLZMOXKE-VIFPVBQESA-N 0 3 246.332 0.870 20 0 BCADHN C[C@H](CO)[C@H](C)NCc1cccc(C(N)=O)c1 ZINC000077420670 384407285 /nfs/dbraw/zinc/40/72/85/384407285.db2.gz FEIQJLCBUNDNCQ-ZJUUUORDSA-N 0 3 236.315 0.892 20 0 BCADHN C[C@@H](CO)[C@H](C)NCc1cccc(C(N)=O)c1 ZINC000077420668 384407469 /nfs/dbraw/zinc/40/74/69/384407469.db2.gz FEIQJLCBUNDNCQ-UWVGGRQHSA-N 0 3 236.315 0.892 20 0 BCADHN CO[C@H](CN1C[C@H](O)[C@@H](O)C1)c1ccccc1 ZINC000330445754 384409545 /nfs/dbraw/zinc/40/95/45/384409545.db2.gz RAPAXJRQCPDNHV-RWMBFGLXSA-N 0 3 237.299 0.412 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000248928886 384427117 /nfs/dbraw/zinc/42/71/17/384427117.db2.gz ZNDIAPHYROYFEF-WDEREUQCSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](NCC(=O)N(C)C)[C@H]1CCCO1 ZINC000035735897 384419014 /nfs/dbraw/zinc/41/90/14/384419014.db2.gz BBFIBHPTCKHWAQ-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@H](N[C@@H](C)[C@H]1CCCO1)C(=O)N(C)C ZINC000035735713 384419079 /nfs/dbraw/zinc/41/90/79/384419079.db2.gz UOAJUDSNLBEZKH-LPEHRKFASA-N 0 3 214.309 0.620 20 0 BCADHN CCN(C[C@H](C)OC)[C@@H]1CCCN(C)C1=O ZINC000556509360 384420614 /nfs/dbraw/zinc/42/06/14/384420614.db2.gz QXUVRFXLMKMQNM-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000035787234 384422744 /nfs/dbraw/zinc/42/27/44/384422744.db2.gz LTKXTDXNYHPXQE-IVZWLZJFSA-N 0 3 214.309 0.606 20 0 BCADHN COC(=O)C(C)(C)CNCc1cnnn1C ZINC000134641981 384376187 /nfs/dbraw/zinc/37/61/87/384376187.db2.gz GEZGIDYRWMHNIU-UHFFFAOYSA-N 0 3 226.280 0.104 20 0 BCADHN CC(C)CC(=O)NCCC(=O)NCCN(C)C ZINC000174983570 384385527 /nfs/dbraw/zinc/38/55/27/384385527.db2.gz CXVKNFNBVFNNMS-UHFFFAOYSA-N 0 3 243.351 0.217 20 0 BCADHN C[C@H](N)C(=O)NCc1ccc(N(C)C)nc1 ZINC000261579644 384389473 /nfs/dbraw/zinc/38/94/73/384389473.db2.gz MLMOBGZIVDYXRY-QMMMGPOBSA-N 0 3 222.292 0.111 20 0 BCADHN CCS(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000308979630 384390326 /nfs/dbraw/zinc/39/03/26/384390326.db2.gz JQEWAQZERFDDFM-JTQLQIEISA-N 0 3 232.349 0.364 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000370543702 384391268 /nfs/dbraw/zinc/39/12/68/384391268.db2.gz KKGBMXAYFQXKQK-AXTSPUMRSA-N 0 3 226.320 0.653 20 0 BCADHN CCOC[C@H](O)CN[C@@H](C)[C@@H](O)C(F)(F)F ZINC000647515094 384446226 /nfs/dbraw/zinc/44/62/26/384446226.db2.gz OXEZLGSBUCNCQJ-XLPZGREQSA-N 0 3 245.241 0.285 20 0 BCADHN COc1nccc(CN[C@@H]2CCCC[C@@H]2O)n1 ZINC000295334292 384448014 /nfs/dbraw/zinc/44/80/14/384448014.db2.gz ZTCUATWWDCVQPT-MNOVXSKESA-N 0 3 237.303 0.878 20 0 BCADHN Cc1cnn(C)c1CN[C@@H]1CCC[C@@H]1CO ZINC000309867683 384449789 /nfs/dbraw/zinc/44/97/89/384449789.db2.gz PGJGNQIXLCPUDX-GHMZBOCLSA-N 0 3 223.320 0.979 20 0 BCADHN O=C1C[C@H](N[C@@H]2CCCOC2)[C@@H]2CCCCN12 ZINC000305972804 384451176 /nfs/dbraw/zinc/45/11/76/384451176.db2.gz JYTYIAPPPSNORB-WOPDTQHZSA-N 0 3 238.331 0.908 20 0 BCADHN CCN(CC)CC(=O)NC(=O)NC1CC1 ZINC000016354191 384455982 /nfs/dbraw/zinc/45/59/82/384455982.db2.gz ZBALWPIHJMGJET-UHFFFAOYSA-N 0 3 213.281 0.316 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCCn1cccn1 ZINC000135254834 384428434 /nfs/dbraw/zinc/42/84/34/384428434.db2.gz MUDUBAAZRSKSBE-LBPRGKRZSA-N 0 3 238.335 0.907 20 0 BCADHN Cc1cnn(C)c1CN[C@H]1CCC[C@@H]1O ZINC000286431075 384430948 /nfs/dbraw/zinc/43/09/48/384430948.db2.gz IUPVQKUYFJZTSN-ONGXEEELSA-N 0 3 209.293 0.732 20 0 BCADHN CCS(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000082605313 384434963 /nfs/dbraw/zinc/43/49/63/384434963.db2.gz RRKFWPNJFDWEGG-SECBINFHSA-N 0 3 220.338 0.268 20 0 BCADHN COC[C@H](C)CN1CCN(C[C@H](C)O)C[C@H]1C ZINC000556626481 384438156 /nfs/dbraw/zinc/43/81/56/384438156.db2.gz NYIJZUYECUHEDE-UPJWGTAASA-N 0 3 244.379 0.656 20 0 BCADHN CCN(CCCO)Cc1ccc(C(N)=O)cc1 ZINC000135423973 384442094 /nfs/dbraw/zinc/44/20/94/384442094.db2.gz HSYIHAPIDGVGAA-UHFFFAOYSA-N 0 3 236.315 0.990 20 0 BCADHN C[C@@H](O)CN[C@H](C)[C@@H](O)C(F)(F)F ZINC000647514975 384442602 /nfs/dbraw/zinc/44/26/02/384442602.db2.gz KKWFSFQKIBXOIF-HSUXUTPPSA-N 0 3 201.188 0.269 20 0 BCADHN COc1cc(CNC[C@H](C)O)cc2c1OCO2 ZINC000078371456 384443421 /nfs/dbraw/zinc/44/34/21/384443421.db2.gz GTMPJUNATMAGPV-QMMMGPOBSA-N 0 3 239.271 0.894 20 0 BCADHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1cscn1)C1CC1 ZINC000647227349 384461528 /nfs/dbraw/zinc/46/15/28/384461528.db2.gz MEHKTTBFDIRCGL-SSDOTTSWSA-N 0 3 247.345 0.159 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)c1cccnc1 ZINC000036871708 384461951 /nfs/dbraw/zinc/46/19/51/384461951.db2.gz VQMWEQCRWJYZRU-WCBMZHEXSA-N 0 3 207.277 0.996 20 0 BCADHN COCCCNC(=O)CN(C)C[C@H]1CCOC1 ZINC000047717758 384464884 /nfs/dbraw/zinc/46/48/84/384464884.db2.gz XDFDOYVBOHXXKV-LLVKDONJSA-N 0 3 244.335 0.107 20 0 BCADHN C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(C)C2)C1(F)F ZINC000359736449 384467879 /nfs/dbraw/zinc/46/78/79/384467879.db2.gz DKWVFTIHRLROQE-NQMVMOMDSA-N 0 3 248.273 0.070 20 0 BCADHN Cn1nncc1CNC[C@H](O)c1ccccc1 ZINC000135844454 384468324 /nfs/dbraw/zinc/46/83/24/384468324.db2.gz ZMDWSEQCOGSEGZ-LBPRGKRZSA-N 0 3 232.287 0.638 20 0 BCADHN Cn1nncc1CNC[C@@H](O)c1ccccc1 ZINC000135844490 384468499 /nfs/dbraw/zinc/46/84/99/384468499.db2.gz ZMDWSEQCOGSEGZ-GFCCVEGCSA-N 0 3 232.287 0.638 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCOC(C)(C)C1 ZINC000335662473 384470770 /nfs/dbraw/zinc/47/07/70/384470770.db2.gz JLMSRDPNWCNYHW-VIFPVBQESA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H](CCO)NCc1cccc(C(N)=O)c1 ZINC000096811458 384480609 /nfs/dbraw/zinc/48/06/09/384480609.db2.gz JSGFGZXKIANGPJ-VIFPVBQESA-N 0 3 222.288 0.646 20 0 BCADHN CCN(C)CCNC(=O)C[C@H]1CCCO1 ZINC000066949245 384484410 /nfs/dbraw/zinc/48/44/10/384484410.db2.gz CXUPUGWPPQEYHV-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CSCC[C@@H](N)C(=O)NC[C@]1(C)CCCO1 ZINC000159638293 384458281 /nfs/dbraw/zinc/45/82/81/384458281.db2.gz USTHRSBKGAXGJL-KOLCDFICSA-N 0 3 246.376 0.752 20 0 BCADHN O=C1CCN(C[C@H](O)c2ccccc2)CCN1 ZINC000122618205 384496811 /nfs/dbraw/zinc/49/68/11/384496811.db2.gz HVTUDFWIDALDMO-LBPRGKRZSA-N 0 3 234.299 0.542 20 0 BCADHN O=C(C[C@@H]1CSCCN1)N[C@H]1CC12CC2 ZINC000335030765 384500397 /nfs/dbraw/zinc/50/03/97/384500397.db2.gz RFNDRNBMXGIJCQ-BDAKNGLRSA-N 0 3 226.345 0.750 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCOCC1 ZINC000037481138 384502864 /nfs/dbraw/zinc/50/28/64/384502864.db2.gz RCRTXVGMWXOPCK-SNVBAGLBSA-N 0 3 200.282 0.363 20 0 BCADHN CN(C)C1(CNS(=O)(=O)N2CCC2)CCC1 ZINC000556817753 384504786 /nfs/dbraw/zinc/50/47/86/384504786.db2.gz GGCNEOFRAKQDEM-UHFFFAOYSA-N 0 3 247.364 0.011 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC[C@H]1CC(C)C ZINC000353154467 384507883 /nfs/dbraw/zinc/50/78/83/384507883.db2.gz RTYNFIYSFOOIMY-WDEREUQCSA-N 0 3 228.336 0.997 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC000335038645 384508489 /nfs/dbraw/zinc/50/84/89/384508489.db2.gz MTJFMUWAJZRYJN-VHSXEESVSA-N 0 3 208.305 0.997 20 0 BCADHN COCC[C@H](C)NCc1cncnc1OC ZINC000647177480 384508593 /nfs/dbraw/zinc/50/85/93/384508593.db2.gz AEOBDUBFKZSKPA-VIFPVBQESA-N 0 3 225.292 1.000 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000335038646 384509452 /nfs/dbraw/zinc/50/94/52/384509452.db2.gz MTJFMUWAJZRYJN-ZJUUUORDSA-N 0 3 208.305 0.997 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1CCO ZINC000249525151 384510052 /nfs/dbraw/zinc/51/00/52/384510052.db2.gz XTKUJLJHDCKWGX-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CCc1ccc(CNC[C@H](O)CO)s1 ZINC000085247358 384510299 /nfs/dbraw/zinc/51/02/99/384510299.db2.gz GBEHTCQFYNNPBI-QMMMGPOBSA-N 0 3 215.318 0.753 20 0 BCADHN CC[C@](C)(NCCOC[C@@H]1CCCO1)C(N)=O ZINC000533533685 384491468 /nfs/dbraw/zinc/49/14/68/384491468.db2.gz JEOKHXUEQLLRNA-JQWIXIFHSA-N 0 3 244.335 0.426 20 0 BCADHN O=C(CO)NCCCN1CCc2ccccc2C1 ZINC000136351907 384492129 /nfs/dbraw/zinc/49/21/29/384492129.db2.gz MKQOZVGZLVJIBW-UHFFFAOYSA-N 0 3 248.326 0.543 20 0 BCADHN CN(Cc1ccc(F)cc1F)C(=O)CN ZINC000037804469 384534876 /nfs/dbraw/zinc/53/48/76/384534876.db2.gz JBRLYWDTABMOAF-UHFFFAOYSA-N 0 3 214.215 0.882 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)NC[C@H]1CCCN1C ZINC000151039369 384535626 /nfs/dbraw/zinc/53/56/26/384535626.db2.gz XOZYCNQLTDQJNC-GHMZBOCLSA-N 0 3 243.351 0.493 20 0 BCADHN COC[C@@H](C)N(C)C(=O)[C@@H](N)C(C)C ZINC000037815697 384535820 /nfs/dbraw/zinc/53/58/20/384535820.db2.gz GIZKETLKUGJUPS-BDAKNGLRSA-N 0 3 202.298 0.463 20 0 BCADHN Cc1ccccc1S(=O)(=O)NC1CNC1 ZINC000085256511 384513330 /nfs/dbraw/zinc/51/33/30/384513330.db2.gz WCISUKMZMSOPNN-UHFFFAOYSA-N 0 3 226.301 0.245 20 0 BCADHN O=S(=O)(NC1CNC1)c1cccc(Cl)c1 ZINC000085256413 384513340 /nfs/dbraw/zinc/51/33/40/384513340.db2.gz QKPPDSYDINCFCD-UHFFFAOYSA-N 0 3 246.719 0.590 20 0 BCADHN Cc1nnsc1CNCCN1CCOCC1 ZINC000303566165 384514855 /nfs/dbraw/zinc/51/48/55/384514855.db2.gz PVCOXAIQKSEQIZ-UHFFFAOYSA-N 0 3 242.348 0.268 20 0 BCADHN COc1ncncc1CNCC[C@H](C)OC ZINC000647178441 384516115 /nfs/dbraw/zinc/51/61/15/384516115.db2.gz RZFDPXLYDPYCCL-VIFPVBQESA-N 0 3 225.292 1.000 20 0 BCADHN COC(CN1CCCO[C@H](C)C1)OC ZINC000085351473 384516949 /nfs/dbraw/zinc/51/69/49/384516949.db2.gz FYRMQHUZNCLBSH-SECBINFHSA-N 0 3 203.282 0.716 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000150903264 384522224 /nfs/dbraw/zinc/52/22/24/384522224.db2.gz WRIMNCWFSNIXNM-MWLCHTKSSA-N 0 3 230.283 0.325 20 0 BCADHN COC(=O)CN1CCNC[C@@H]1c1cccnc1 ZINC000569604865 384524828 /nfs/dbraw/zinc/52/48/28/384524828.db2.gz CNYJSFHXRLNREM-LLVKDONJSA-N 0 3 235.287 0.201 20 0 BCADHN CO[C@@H](C)CN(C)[C@H]1CCCN(C)C1=O ZINC000556849462 384524873 /nfs/dbraw/zinc/52/48/73/384524873.db2.gz VTKVDMAQNVRYFM-UWVGGRQHSA-N 0 3 214.309 0.574 20 0 BCADHN CNCC(=O)NC1(C(=O)OC)CCCCCC1 ZINC000150917728 384525135 /nfs/dbraw/zinc/52/51/35/384525135.db2.gz UNBMDGPGBVBECW-UHFFFAOYSA-N 0 3 242.319 0.588 20 0 BCADHN C[C@@H](O)C1CCN(CCn2ccnc2)CC1 ZINC000161792628 384526677 /nfs/dbraw/zinc/52/66/77/384526677.db2.gz PQLKOGDXIWRUIJ-LLVKDONJSA-N 0 3 223.320 0.976 20 0 BCADHN CN(CCn1ccnc1)CCn1cccn1 ZINC000161791041 384527711 /nfs/dbraw/zinc/52/77/11/384527711.db2.gz DZVFZNWCIQRIAI-UHFFFAOYSA-N 0 3 219.292 0.712 20 0 BCADHN CCC[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000085541765 384529974 /nfs/dbraw/zinc/52/99/74/384529974.db2.gz GEIGNPDXDAXQTI-AEJSXWLSSA-N 0 3 212.293 0.504 20 0 BCADHN CO[C@H](C)C(=O)N(CCN(C)C)C1CC1 ZINC000356886973 384530550 /nfs/dbraw/zinc/53/05/50/384530550.db2.gz ZECFYUJZSNFTPT-SECBINFHSA-N 0 3 214.309 0.574 20 0 BCADHN CO[C@@H](C)C(=O)N(CCN(C)C)C1CC1 ZINC000356886974 384532640 /nfs/dbraw/zinc/53/26/40/384532640.db2.gz ZECFYUJZSNFTPT-VIFPVBQESA-N 0 3 214.309 0.574 20 0 BCADHN CN(CCO)C[C@@H]1Cc2ccccc2O1 ZINC000085537824 384533026 /nfs/dbraw/zinc/53/30/26/384533026.db2.gz NYTHJMKZEHLDOP-NSHDSACASA-N 0 3 207.273 0.914 20 0 BCADHN CN(CCO)C[C@H]1Cc2ccccc2O1 ZINC000085537825 384533615 /nfs/dbraw/zinc/53/36/15/384533615.db2.gz NYTHJMKZEHLDOP-LLVKDONJSA-N 0 3 207.273 0.914 20 0 BCADHN CN(CCCO)CCO[C@@H]1CCCCO1 ZINC000300768202 384544903 /nfs/dbraw/zinc/54/49/03/384544903.db2.gz CENRXSBFADKQCM-LLVKDONJSA-N 0 3 217.309 0.844 20 0 BCADHN COCCN(C)C(=O)C[C@H]1CSCCN1 ZINC000085613615 384545556 /nfs/dbraw/zinc/54/55/56/384545556.db2.gz GOXYVDOTFYXKIN-VIFPVBQESA-N 0 3 232.349 0.186 20 0 BCADHN Cc1ccc(C(=O)NCCN(C)C)cc1O ZINC000019837294 384545855 /nfs/dbraw/zinc/54/58/55/384545855.db2.gz GYGNLYHWWFEFNW-UHFFFAOYSA-N 0 3 222.288 0.992 20 0 BCADHN C[C@@H]1CCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000085619709 384545908 /nfs/dbraw/zinc/54/59/08/384545908.db2.gz AKJLHEZBFDMYBS-ZJUUUORDSA-N 0 3 212.293 0.233 20 0 BCADHN O=C(C[C@H]1CSCCN1)NCC(F)(F)F ZINC000085612743 384545920 /nfs/dbraw/zinc/54/59/20/384545920.db2.gz AMGUFYDTZDWUGX-LURJTMIESA-N 0 3 242.266 0.760 20 0 BCADHN CC[C@@H](C)CNC(=O)C[C@@H]1CNCCO1 ZINC000085620076 384545968 /nfs/dbraw/zinc/54/59/68/384545968.db2.gz ZRIWUJPVRZSHNW-NXEZZACHSA-N 0 3 214.309 0.527 20 0 BCADHN O=C(C[C@@H]1CSCCN1)NCC(F)(F)F ZINC000085612747 384546016 /nfs/dbraw/zinc/54/60/16/384546016.db2.gz AMGUFYDTZDWUGX-ZCFIWIBFSA-N 0 3 242.266 0.760 20 0 BCADHN COCCN(C)C(=O)C[C@@H]1CSCCN1 ZINC000085613611 384546829 /nfs/dbraw/zinc/54/68/29/384546829.db2.gz GOXYVDOTFYXKIN-SECBINFHSA-N 0 3 232.349 0.186 20 0 BCADHN CCN(C)C(=O)C[C@@H]1CSCCN1 ZINC000085612875 384547057 /nfs/dbraw/zinc/54/70/57/384547057.db2.gz WTABLKPCEFCRAL-MRVPVSSYSA-N 0 3 202.323 0.560 20 0 BCADHN O=C(C[C@@H]1CSCCN1)NCC1CCC1 ZINC000085613028 384547322 /nfs/dbraw/zinc/54/73/22/384547322.db2.gz 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C[C@H](c1ccccn1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000528607435 384561927 /nfs/dbraw/zinc/56/19/27/384561927.db2.gz WXRZZDUFTZMUJI-WOPDTQHZSA-N 0 3 236.315 0.675 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000643844976 384537197 /nfs/dbraw/zinc/53/71/97/384537197.db2.gz UNHRZXPREVSYCN-KXGXSXBTSA-N 0 3 248.330 0.329 20 0 BCADHN COc1c(CN[C@@H](C)[C@H](C)CO)c(C)nn1C ZINC000123170601 384538927 /nfs/dbraw/zinc/53/89/27/384538927.db2.gz FVUVZCKBIVEKIS-BDAKNGLRSA-N 0 3 241.335 0.844 20 0 BCADHN CN(C[C@H]1CCCO1)C(=O)[C@]1(F)CCNC1 ZINC000151098087 384539108 /nfs/dbraw/zinc/53/91/08/384539108.db2.gz LCRPWWSKHWXLKT-KOLCDFICSA-N 0 3 230.283 0.325 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000052395891 384539898 /nfs/dbraw/zinc/53/98/98/384539898.db2.gz XMPGKPWIHOYSOE-QMMMGPOBSA-N 0 3 228.292 0.006 20 0 BCADHN Cn1ccc(CNC[C@H]2COCCO2)c1 ZINC000085590910 384540048 /nfs/dbraw/zinc/54/00/48/384540048.db2.gz VKFPYIZNQOJUSW-NSHDSACASA-N 0 3 210.277 0.530 20 0 BCADHN Cc1nc(N)nc(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000306076100 384569090 /nfs/dbraw/zinc/56/90/90/384569090.db2.gz GFIZAOBHQIYEHG-MRVPVSSYSA-N 0 3 234.307 0.411 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1ccncc1F ZINC000157823620 384570375 /nfs/dbraw/zinc/57/03/75/384570375.db2.gz KIOMISWGNFYSPM-MRVPVSSYSA-N 0 3 225.267 0.901 20 0 BCADHN CCSCCN1CCC[C@](O)(CO)C1 ZINC000313634595 384573385 /nfs/dbraw/zinc/57/33/85/384573385.db2.gz JRPLVJCCEXFIHE-SNVBAGLBSA-N 0 3 219.350 0.559 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000236783869 384578677 /nfs/dbraw/zinc/57/86/77/384578677.db2.gz ZEPUNXCNKNUYGU-MMWGEVLESA-N 0 3 240.347 0.899 20 0 BCADHN O=C1OC[C@@H]2CN([C@H]3CCCC[C@H]3O)CCN12 ZINC000363472562 384585192 /nfs/dbraw/zinc/58/51/92/384585192.db2.gz RNVDEGPJFXMJSE-GARJFASQSA-N 0 3 240.303 0.426 20 0 BCADHN CCN(CCC(=O)OC)CCN1CCOCC1 ZINC000050053785 384587199 /nfs/dbraw/zinc/58/71/99/384587199.db2.gz AWDCQWQXSQXAJR-UHFFFAOYSA-N 0 3 244.335 0.204 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NC[C@](C)(O)CCN(C)C ZINC000642947660 384566604 /nfs/dbraw/zinc/56/66/04/384566604.db2.gz FRYOAVRUAIHREY-JBLDHEPKSA-N 0 3 228.336 0.461 20 0 BCADHN O=C(CN1CCCC[C@H]1CCO)N1CCCC1 ZINC000049801192 384567272 /nfs/dbraw/zinc/56/72/72/384567272.db2.gz IIMOFWLADVDXDT-LBPRGKRZSA-N 0 3 240.347 0.846 20 0 BCADHN CCC[C@H](C(=O)NC[C@@H]1CCC[C@@H]1O)N(C)C ZINC000162330880 384604433 /nfs/dbraw/zinc/60/44/33/384604433.db2.gz ZAZJVDMSRDFKGN-TUAOUCFPSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)N1C[C@H](N[C@@H]2CO[C@H](C)C2)CC1=O ZINC000647185102 384613378 /nfs/dbraw/zinc/61/33/78/384613378.db2.gz ONUJFNVVEREKAY-MXWKQRLJSA-N 0 3 226.320 0.763 20 0 BCADHN Cc1c[nH]nc1CNC[C@@H]1CC[C@H](O)C1 ZINC000289532906 384613471 /nfs/dbraw/zinc/61/34/71/384613471.db2.gz OSCLSFYGAZNHJM-ZJUUUORDSA-N 0 3 209.293 0.969 20 0 BCADHN COCC[C@](C)(O)CNCc1n[nH]cc1C ZINC000289532887 384613665 /nfs/dbraw/zinc/61/36/65/384613665.db2.gz OSBAXQOEJGMGNB-NSHDSACASA-N 0 3 227.308 0.595 20 0 BCADHN 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384637540 /nfs/dbraw/zinc/63/75/40/384637540.db2.gz BKZSBFBGINKGAP-SECBINFHSA-N 0 3 216.325 0.914 20 0 BCADHN COCCNCc1ccc(C(=O)OC)[nH]1 ZINC000086329552 384639580 /nfs/dbraw/zinc/63/95/80/384639580.db2.gz RTYCNMNDOJYSLJ-UHFFFAOYSA-N 0 3 212.249 0.537 20 0 BCADHN CC[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCCN)C1 ZINC000310101837 384639903 /nfs/dbraw/zinc/63/99/03/384639903.db2.gz LLEWMWBDIZAZGL-VHSXEESVSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCc1ccccn1 ZINC000081898799 384639893 /nfs/dbraw/zinc/63/98/93/384639893.db2.gz RSLDEPQFPUGSFE-SNVBAGLBSA-N 0 3 242.344 0.647 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCc1cccnc1 ZINC000081900511 384640598 /nfs/dbraw/zinc/64/05/98/384640598.db2.gz YEMIXZAHTSXGJN-SNVBAGLBSA-N 0 3 242.344 0.647 20 0 BCADHN CCC[C@H](C)C(=O)NCCN[C@H]1CCOC1 ZINC000309819505 384640601 /nfs/dbraw/zinc/64/06/01/384640601.db2.gz DIGKWTSFQHDAPS-QWRGUYRKSA-N 0 3 228.336 0.917 20 0 BCADHN CN(C)c1ccccc1CNC(=O)CN ZINC000082275023 384656393 /nfs/dbraw/zinc/65/63/93/384656393.db2.gz 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BCADHN C[C@H](Cn1ccnc1)NCc1cncn1C ZINC000082394239 384680405 /nfs/dbraw/zinc/68/04/05/384680405.db2.gz BHUZDXAKIJBOEE-SNVBAGLBSA-N 0 3 219.292 0.795 20 0 BCADHN COC(=O)CCN1CCOC[C@@H](C)C1 ZINC000374359163 384682012 /nfs/dbraw/zinc/68/20/12/384682012.db2.gz NEFJCJABFLZSKF-VIFPVBQESA-N 0 3 201.266 0.518 20 0 BCADHN COC[C@H](CO)NC/C=C/c1ccncc1 ZINC000309678406 384726310 /nfs/dbraw/zinc/72/63/10/384726310.db2.gz YSELGYUWINBMSM-JDGPPOGSSA-N 0 3 222.288 0.692 20 0 BCADHN CO[C@@H]1CCCN([C@H]2CCNC2=O)CC1 ZINC000363680768 384686581 /nfs/dbraw/zinc/68/65/81/384686581.db2.gz YWZXERSKQZKBTF-ZJUUUORDSA-N 0 3 212.293 0.376 20 0 BCADHN COCCCNC(=O)CN[C@@H]1CCC[C@H]1OC ZINC000050372734 384694747 /nfs/dbraw/zinc/69/47/47/384694747.db2.gz HKUIRLFNWYSZJD-GHMZBOCLSA-N 0 3 244.335 0.296 20 0 BCADHN CSCC[C@H](N[C@@H]1CCOC1)C(=O)N(C)C ZINC000309893888 384695056 /nfs/dbraw/zinc/69/50/56/384695056.db2.gz DYGYTYGWDYHCGO-ZJUUUORDSA-N 0 3 246.376 0.575 20 0 BCADHN CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1C[C@@H]1N 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249.358 0.927 20 0 BCADHN CC[C@@H](C(=O)N1CC(CCOC)C1)N(C)C ZINC000644768176 384756380 /nfs/dbraw/zinc/75/63/80/384756380.db2.gz NWJYVEVYXXYVAY-NSHDSACASA-N 0 3 228.336 0.822 20 0 BCADHN CC(=O)N1CCN(C(=O)CN(C)C(C)C)CC1 ZINC000105170329 384758637 /nfs/dbraw/zinc/75/86/37/384758637.db2.gz AEGSTAANZYVLLZ-UHFFFAOYSA-N 0 3 241.335 0.017 20 0 BCADHN COC(C)(C)[C@H](C)N[C@@H](C)C(=O)NCCF ZINC000309977163 384759316 /nfs/dbraw/zinc/75/93/16/384759316.db2.gz UEPGXTOTXCMIDV-IUCAKERBSA-N 0 3 234.315 0.864 20 0 BCADHN CC[C@H](CCO)N[C@H](C)c1ccc(=O)[nH]n1 ZINC000309991054 384760771 /nfs/dbraw/zinc/76/07/71/384760771.db2.gz BASKSHCYSDLXHQ-RKDXNWHRSA-N 0 3 225.292 0.582 20 0 BCADHN CN[C@@H](C)c1cn(CCCc2cncn2C)nn1 ZINC000314024565 384764061 /nfs/dbraw/zinc/76/40/61/384764061.db2.gz JRWGYAOKOBADEE-JTQLQIEISA-N 0 3 248.334 0.925 20 0 BCADHN COC(=O)CCCNC(=O)[C@H](N)CCSC ZINC000083378850 384767936 /nfs/dbraw/zinc/76/79/36/384767936.db2.gz RXAIZJZDIKRVTN-MRVPVSSYSA-N 0 3 248.348 0.136 20 0 BCADHN 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384821208 /nfs/dbraw/zinc/82/12/08/384821208.db2.gz RGSLRTHMPRTTRM-UHFFFAOYSA-N 0 3 221.304 0.950 20 0 BCADHN COCCNCC(=O)N[C@@H](C)CCC1CC1 ZINC000398153966 384822124 /nfs/dbraw/zinc/82/21/24/384822124.db2.gz HPRGLFQCTKLRKN-JTQLQIEISA-N 0 3 228.336 0.917 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000083959876 384822671 /nfs/dbraw/zinc/82/26/71/384822671.db2.gz ONGSMTAZGTUKEH-ZETCQYMHSA-N 0 3 248.286 0.163 20 0 BCADHN C[C@H]1CN(CCC(C)(C)O)CCN1CCO ZINC000426461659 384823039 /nfs/dbraw/zinc/82/30/39/384823039.db2.gz QNFQBHLSPXWPIL-NSHDSACASA-N 0 3 230.352 0.146 20 0 BCADHN Cn1nccc1CN1CCCC[C@@H]1C(=N)NO ZINC000363775160 384825117 /nfs/dbraw/zinc/82/51/17/384825117.db2.gz GQYZELVIPYWPPX-SNVBAGLBSA-N 0 3 237.307 0.731 20 0 BCADHN CC(C)NC(=O)CN1C[C@@H](C(N)=O)CC[C@H]1C ZINC000103285930 384826772 /nfs/dbraw/zinc/82/67/72/384826772.db2.gz RUYZVGIPMWUTQJ-ZJUUUORDSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@@](O)(CN[C@H]1CCOC1)C(F)(F)F ZINC000308585065 384829254 /nfs/dbraw/zinc/82/92/54/384829254.db2.gz RJWAJOZUKWISAS-NKWVEPMBSA-N 0 3 213.199 0.678 20 0 BCADHN C[C@@H](NCc1nccn1C)[C@H]1CCOC1 ZINC000127040129 384833113 /nfs/dbraw/zinc/83/31/13/384833113.db2.gz GZILXRUYYWVIJI-ZJUUUORDSA-N 0 3 209.293 0.935 20 0 BCADHN C[C@H](N)C(=O)N1CC2(C[C@H]1C)CCOCC2 ZINC000648204025 384835472 /nfs/dbraw/zinc/83/54/72/384835472.db2.gz ORRSYAVBKAKJJY-ZJUUUORDSA-N 0 3 226.320 0.751 20 0 BCADHN Cc1nnc(CN2CCCN(C3CC3)CC2)n1C ZINC000145684277 384781692 /nfs/dbraw/zinc/78/16/92/384781692.db2.gz BNXLGYSWDFIDNC-UHFFFAOYSA-N 0 3 249.362 0.794 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)CCOC ZINC000101520314 384781855 /nfs/dbraw/zinc/78/18/55/384781855.db2.gz BCNXCXRNRCXRNT-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN CCOC(=O)CCN(CC(N)=O)CC(C)C ZINC000042294916 384784839 /nfs/dbraw/zinc/78/48/39/384784839.db2.gz YYDJQNQZPCTWDK-UHFFFAOYSA-N 0 3 230.308 0.383 20 0 BCADHN CCCCCN1CC[C@H](S(=O)(=O)NC)C1 ZINC000155917030 384786307 /nfs/dbraw/zinc/78/63/07/384786307.db2.gz UZFUFLKTQZXMSJ-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN C[C@@H]1CCCN1CCN1C(=O)CCC1=O ZINC000174406304 384787401 /nfs/dbraw/zinc/78/74/01/384787401.db2.gz AUDFZOVNFWHWRB-SECBINFHSA-N 0 3 210.277 0.620 20 0 BCADHN C[C@@H](C[S@@](C)=O)N(C)CCCn1ccnc1 ZINC000126291031 384789456 /nfs/dbraw/zinc/78/94/56/384789456.db2.gz LJQXTUMPDGEZNJ-ZBEGNZNMSA-N 0 3 243.376 0.972 20 0 BCADHN O=C(CN[C@@H]1CCOC1)NC1CCCCC1 ZINC000087416120 384790227 /nfs/dbraw/zinc/79/02/27/384790227.db2.gz WFDYVIPGTNILMK-LLVKDONJSA-N 0 3 226.320 0.814 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCc2cccc(F)c21 ZINC000335012232 384792744 /nfs/dbraw/zinc/79/27/44/384792744.db2.gz IXJWMHQSVGYJIJ-JTQLQIEISA-N 0 3 238.262 0.689 20 0 BCADHN Cc1ccc(C)c(CNC(CO)CO)c1 ZINC000083690859 384794448 /nfs/dbraw/zinc/79/44/48/384794448.db2.gz SXKHODHPVAGGQS-UHFFFAOYSA-N 0 3 209.289 0.746 20 0 BCADHN COC[C@H](N[C@@H]1CCCNC1=O)C1CC1 ZINC000087480054 384797023 /nfs/dbraw/zinc/79/70/23/384797023.db2.gz OQIJEVGRABSDOU-ZJUUUORDSA-N 0 3 212.293 0.280 20 0 BCADHN COCCNCC(=O)NCCOCC1CCC1 ZINC000648192140 384806108 /nfs/dbraw/zinc/80/61/08/384806108.db2.gz MRZPSRAMJNHYME-UHFFFAOYSA-N 0 3 244.335 0.155 20 0 BCADHN COC(=O)CCN1CCN(C2CC2)CC1 ZINC000042490607 384807428 /nfs/dbraw/zinc/80/74/28/384807428.db2.gz UQZVTGGAJJDETB-UHFFFAOYSA-N 0 3 212.293 0.330 20 0 BCADHN NCC(=O)N1CCOC[C@H]1Cc1ccccc1 ZINC000083885160 384807658 /nfs/dbraw/zinc/80/76/58/384807658.db2.gz ULMZQKQHXQLLIB-GFCCVEGCSA-N 0 3 234.299 0.415 20 0 BCADHN C[C@@H](N)C(=O)NCCc1cn2ccccc2n1 ZINC000083883836 384808219 /nfs/dbraw/zinc/80/82/19/384808219.db2.gz FHMBTBDKOGGOOX-SECBINFHSA-N 0 3 232.287 0.340 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000083883832 384808512 /nfs/dbraw/zinc/80/85/12/384808512.db2.gz SYUWNIMCPMANAE-SSDOTTSWSA-N 0 3 249.270 0.328 20 0 BCADHN O=C(CN1CCC2(C1)CCOCC2)N1CCC1 ZINC000336228674 384809892 /nfs/dbraw/zinc/80/98/92/384809892.db2.gz WSRPDARNSWDHLT-UHFFFAOYSA-N 0 3 238.331 0.721 20 0 BCADHN COC(=O)CNC(=O)CN(C)[C@@H](C)C1(C)CC1 ZINC000176931545 384809997 /nfs/dbraw/zinc/80/99/97/384809997.db2.gz NIKJNAXDUKLRSI-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN CN1C[C@H]2CCN(C(=O)N3CCOCC3)[C@H]2C1 ZINC000644299379 384810123 /nfs/dbraw/zinc/81/01/23/384810123.db2.gz KSASSOPFWMFGIA-MNOVXSKESA-N 0 3 239.319 0.075 20 0 BCADHN Cc1cncc(C(=O)N2CCCNCC2)c1 ZINC000083891928 384810555 /nfs/dbraw/zinc/81/05/55/384810555.db2.gz NCJDJJNUXWJUNK-UHFFFAOYSA-N 0 3 219.288 0.826 20 0 BCADHN CCN(CCN)[C@H](C)CS(=O)(=O)CC ZINC000308570815 384814179 /nfs/dbraw/zinc/81/41/79/384814179.db2.gz KENFMXXBXVHSCM-SECBINFHSA-N 0 3 222.354 0.090 20 0 BCADHN Cc1ccn2cc(CNC(=O)[C@@H](C)N)nc2c1 ZINC000083909187 384814798 /nfs/dbraw/zinc/81/47/98/384814798.db2.gz QELOCOXEIBVQLQ-SECBINFHSA-N 0 3 232.287 0.606 20 0 BCADHN COC[C@@H](O)CCNCc1cncs1 ZINC000127471625 384869768 /nfs/dbraw/zinc/86/97/68/384869768.db2.gz ONEUUJAQKFNZSV-QMMMGPOBSA-N 0 3 216.306 0.630 20 0 BCADHN CN1C[C@H](CN2CCC[C@@H](CO)CC2)OC1=O ZINC000497205078 384869776 /nfs/dbraw/zinc/86/97/76/384869776.db2.gz ZVTOFHWQFFEDSX-GHMZBOCLSA-N 0 3 242.319 0.531 20 0 BCADHN Cc1cc(C)n(CC(=O)NC[C@H](C)N(C)C)n1 ZINC000046272764 384870893 /nfs/dbraw/zinc/87/08/93/384870893.db2.gz LJIBNFWWUZLQOR-NSHDSACASA-N 0 3 238.335 0.566 20 0 BCADHN CN(CCCO)CCn1cc(Cl)cn1 ZINC000312900185 384872986 /nfs/dbraw/zinc/87/29/86/384872986.db2.gz LQTCSCGRMLSTAR-UHFFFAOYSA-N 0 3 217.700 0.851 20 0 BCADHN C[C@H](CNCc1nccn1C)N(C)C1CC1 ZINC000163903433 384874072 /nfs/dbraw/zinc/87/40/72/384874072.db2.gz LKDFBLYHKRINAQ-SNVBAGLBSA-N 0 3 222.336 0.992 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cnn(C)c1 ZINC000186759134 384875523 /nfs/dbraw/zinc/87/55/23/384875523.db2.gz GWLTXMQTKALDFB-UHFFFAOYSA-N 0 3 236.319 0.586 20 0 BCADHN CN(CCN(C)C1CC1)Cc1ncc[nH]1 ZINC000186757562 384875703 /nfs/dbraw/zinc/87/57/03/384875703.db2.gz XAGPPSGUTYMPPB-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1nccnc1N ZINC000186757861 384876470 /nfs/dbraw/zinc/87/64/70/384876470.db2.gz POZZBMHUYYTZLW-UHFFFAOYSA-N 0 3 249.318 0.225 20 0 BCADHN CSC[C@H](O)CN(C)CC1(CO)CC1 ZINC000186758534 384877619 /nfs/dbraw/zinc/87/76/19/384877619.db2.gz JQIQIGNABGMHKN-SECBINFHSA-N 0 3 219.350 0.415 20 0 BCADHN CCCC[C@@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000305956489 384879419 /nfs/dbraw/zinc/87/94/19/384879419.db2.gz DRMSBEHBUBSLAQ-VXGBXAGGSA-N 0 3 241.379 0.914 20 0 BCADHN C[C@@H](CO)CN1CCC(F)(F)[C@@H](CO)C1 ZINC000403903800 384881001 /nfs/dbraw/zinc/88/10/01/384881001.db2.gz LWVVEJOKMDNKES-RKDXNWHRSA-N 0 3 223.263 0.564 20 0 BCADHN CC(C)[C@H]1C[C@@H](NC(=O)CN)CCO1 ZINC000648162167 384881812 /nfs/dbraw/zinc/88/18/12/384881812.db2.gz MNQDIMDUBQUTQL-DTWKUNHWSA-N 0 3 200.282 0.265 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1OCCc2ccccc21 ZINC000127315984 384882834 /nfs/dbraw/zinc/88/28/34/384882834.db2.gz PMCGVLAGXNDFHD-CYBMUJFWSA-N 0 3 248.326 0.978 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H]2NCC2(C)C)CO1 ZINC000648205112 384838476 /nfs/dbraw/zinc/83/84/76/384838476.db2.gz TUSWRCCUFOAQHG-VGMNWLOBSA-N 0 3 212.293 0.278 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@H](O)C1)N(C)C ZINC000151848584 384839060 /nfs/dbraw/zinc/83/90/60/384839060.db2.gz YNSREKLLJTWZBZ-VHSXEESVSA-N 0 3 214.309 0.166 20 0 BCADHN CN(C)S(=O)(=O)NCCN(C)C1CCCC1 ZINC000104755522 384841481 /nfs/dbraw/zinc/84/14/81/384841481.db2.gz GQEGLLKBSUESRU-UHFFFAOYSA-N 0 3 249.380 0.257 20 0 BCADHN CCN(C)CCNC(=O)c1c[nH]c(C)cc1=O ZINC000174833994 384843613 /nfs/dbraw/zinc/84/36/13/384843613.db2.gz LFYXSCDBINIXDW-UHFFFAOYSA-N 0 3 237.303 0.365 20 0 BCADHN COC[C@@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000449661643 384848427 /nfs/dbraw/zinc/84/84/27/384848427.db2.gz JBYUWCWKKHJOEK-SFYZADRCSA-N 0 3 236.262 0.382 20 0 BCADHN C[C@@H](NC(=O)CO)[C@H](c1ccccc1)N(C)C ZINC000186497261 384848440 /nfs/dbraw/zinc/84/84/40/384848440.db2.gz YCELOMDNGMEZHD-ZWNOBZJWSA-N 0 3 236.315 0.786 20 0 BCADHN CC(C)C[C@H](CO)NCc1cncnc1 ZINC000054768081 384855976 /nfs/dbraw/zinc/85/59/76/384855976.db2.gz DVJCHXJHYWAOFJ-LLVKDONJSA-N 0 3 209.293 0.973 20 0 BCADHN CC(C)[C@H](C(=O)N(C)C[C@H](C)O)N(C)C ZINC000151883358 384856700 /nfs/dbraw/zinc/85/67/00/384856700.db2.gz NUUTYJGJOHZAII-VHSXEESVSA-N 0 3 216.325 0.412 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)C2CC(C)(O)C2)C1 ZINC000336246191 384857788 /nfs/dbraw/zinc/85/77/88/384857788.db2.gz KUTRQNKCOGSAEQ-AKJDGMEZSA-N 0 3 240.347 0.700 20 0 BCADHN CS[C@@H]1CCC[C@H](NC(=O)CN)C1 ZINC000225503833 384858694 /nfs/dbraw/zinc/85/86/94/384858694.db2.gz VKIUBFKFCVXCJI-JGVFFNPUSA-N 0 3 202.323 0.736 20 0 BCADHN CS[C@H]1CCC[C@@H](NC(=O)CN)C1 ZINC000225503802 384859521 /nfs/dbraw/zinc/85/95/21/384859521.db2.gz VKIUBFKFCVXCJI-SFYZADRCSA-N 0 3 202.323 0.736 20 0 BCADHN COC[C@@H](O)CN(C)Cc1cccc(O)c1 ZINC000086662537 384889113 /nfs/dbraw/zinc/88/91/13/384889113.db2.gz UOPPNBPMAUYLMG-LBPRGKRZSA-N 0 3 225.288 0.831 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000151896279 384860745 /nfs/dbraw/zinc/86/07/45/384860745.db2.gz KJKGYJCTNHUNGA-MWLCHTKSSA-N 0 3 230.283 0.325 20 0 BCADHN CO[C@H]1CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000151892080 384860975 /nfs/dbraw/zinc/86/09/75/384860975.db2.gz POXIXPWETUDLLW-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC000105328149 384861914 /nfs/dbraw/zinc/86/19/14/384861914.db2.gz SQBPIFJNUHRIRT-SECBINFHSA-N 0 3 223.276 0.841 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2cnns2)C1 ZINC000105325815 384862843 /nfs/dbraw/zinc/86/28/43/384862843.db2.gz FANGMUYUYNKUNG-MRVPVSSYSA-N 0 3 240.332 0.704 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000105325133 384863950 /nfs/dbraw/zinc/86/39/50/384863950.db2.gz GYGCDGLHQYUPEZ-NSHDSACASA-N 0 3 249.314 0.953 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)[C@@H](C)N)C1(C)C ZINC000225547948 384864334 /nfs/dbraw/zinc/86/43/34/384864334.db2.gz JPDUUEBYKOZYRS-CSMHCCOUSA-N 0 3 200.282 0.263 20 0 BCADHN CN(C)CC(C)(C)NCc1ccn(C)n1 ZINC000308608497 384865730 /nfs/dbraw/zinc/86/57/30/384865730.db2.gz NLEQRZGYOJOTLE-UHFFFAOYSA-N 0 3 210.325 0.850 20 0 BCADHN CC(C)COCCN1CCC[C@@](O)(CO)C1 ZINC000313620554 384868242 /nfs/dbraw/zinc/86/82/42/384868242.db2.gz DYAMAVAAWUCCKV-LBPRGKRZSA-N 0 3 231.336 0.478 20 0 BCADHN C[C@@]1(NCC(=O)N2CCC2)CCO[C@H]1C1CC1 ZINC000371746724 384951260 /nfs/dbraw/zinc/95/12/60/384951260.db2.gz LNAYWXWXTILGMS-QWHCGFSZSA-N 0 3 238.331 0.766 20 0 BCADHN Fc1ccccc1CNC[C@@H]1CNCCO1 ZINC000258973353 384955126 /nfs/dbraw/zinc/95/51/26/384955126.db2.gz TYHSYIFJVMMDQV-NSHDSACASA-N 0 3 224.279 0.904 20 0 BCADHN Fc1ccccc1CNC[C@@H]1COCCN1 ZINC000258989559 384955456 /nfs/dbraw/zinc/95/54/56/384955456.db2.gz VKUYSDWXFAGUFM-LLVKDONJSA-N 0 3 224.279 0.904 20 0 BCADHN COc1ccccc1CNC[C@H]1CNCCN1C ZINC000259018742 384955644 /nfs/dbraw/zinc/95/56/44/384955644.db2.gz YEWWRCLJHBJKIQ-CYBMUJFWSA-N 0 3 249.358 0.688 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)N)C(=O)N1CCCC[C@H]1C ZINC000156760042 384955580 /nfs/dbraw/zinc/95/55/80/384955580.db2.gz WPKOCPPOASFCJS-KXUCPTDWSA-N 0 3 241.335 0.239 20 0 BCADHN CO[C@H](CN1CCOC[C@H](O)C1)C1CC1 ZINC000400146841 384956937 /nfs/dbraw/zinc/95/69/37/384956937.db2.gz ZNJMQGWRJNTYBV-GHMZBOCLSA-N 0 3 215.293 0.105 20 0 BCADHN Cc1ccc(CNCC2(CO)COC2)o1 ZINC000258976290 384957120 /nfs/dbraw/zinc/95/71/20/384957120.db2.gz LVEKTFQFCPCLPB-UHFFFAOYSA-N 0 3 211.261 0.687 20 0 BCADHN C[C@@H](N)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000557233986 384891166 /nfs/dbraw/zinc/89/11/66/384891166.db2.gz QNWFQZJSUSCULQ-SECBINFHSA-N 0 3 245.286 0.612 20 0 BCADHN CO[C@H]1CCCN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000528374024 384895751 /nfs/dbraw/zinc/89/57/51/384895751.db2.gz UCGNYUVUTBMCIG-RYUDHWBXSA-N 0 3 243.347 0.763 20 0 BCADHN CC(C)(C)n1cc(NC(=O)[C@@H]2C[C@@H]2N)cn1 ZINC000335539264 384899996 /nfs/dbraw/zinc/89/99/96/384899996.db2.gz QRGGBNSFZZDIFZ-BDAKNGLRSA-N 0 3 222.292 0.924 20 0 BCADHN CCN(CCNC(=O)NCCOC)C1CC1 ZINC000101972242 384902748 /nfs/dbraw/zinc/90/27/48/384902748.db2.gz NIUYJFIOHSWRLY-UHFFFAOYSA-N 0 3 229.324 0.416 20 0 BCADHN CO[C@H](C)CN(CCO)[C@@H]1CCO[C@H]1C ZINC000361567267 384904694 /nfs/dbraw/zinc/90/46/94/384904694.db2.gz UASIDLACMHVXHA-OUAUKWLOSA-N 0 3 217.309 0.493 20 0 BCADHN CC[C@H](N[C@@H](C)[C@H]1CCCO1)C(N)=O ZINC000245384876 384906900 /nfs/dbraw/zinc/90/69/00/384906900.db2.gz YPEGONSYZZZOSL-XHNCKOQMSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@H](C(=O)NC[C@H]1CNCCO1)C1CCCC1 ZINC000643603588 384912139 /nfs/dbraw/zinc/91/21/39/384912139.db2.gz WCTQPZOPSRLNII-CMPLNLGQSA-N 0 3 240.347 0.917 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CCC(c2cc[nH]n2)CC1 ZINC000557336449 384915663 /nfs/dbraw/zinc/91/56/63/384915663.db2.gz SJUSYVZYSLLNPN-NWDGAFQWSA-N 0 3 237.303 0.349 20 0 BCADHN C[C@H](C(=O)N1CCCCC1)N1CC[C@@H](CO)C1 ZINC000225971766 384919558 /nfs/dbraw/zinc/91/95/58/384919558.db2.gz QPDXHONJYMJONJ-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN Cc1c(CNC[C@@H](CO)C2CC2)cnn1C ZINC000309926634 384921650 /nfs/dbraw/zinc/92/16/50/384921650.db2.gz VNIGJHJGQVGUIR-LBPRGKRZSA-N 0 3 223.320 0.837 20 0 BCADHN FC(F)[C@@H]1CNCCN1CC1CCOCC1 ZINC000566230107 384959404 /nfs/dbraw/zinc/95/94/04/384959404.db2.gz IHGVLSSPNHDIQI-JTQLQIEISA-N 0 3 234.290 0.952 20 0 BCADHN C[C@H](O)CNCc1ccnc(-n2cccn2)c1 ZINC000644519823 384923696 /nfs/dbraw/zinc/92/36/96/384923696.db2.gz NYHHCIILITYZGB-JTQLQIEISA-N 0 3 232.287 0.738 20 0 BCADHN C[C@H](N(C)CC(=O)NC(N)=O)C1(C)CC1 ZINC000177234158 384924066 /nfs/dbraw/zinc/92/40/66/384924066.db2.gz HLHJKQJMQPZBKE-ZETCQYMHSA-N 0 3 213.281 0.302 20 0 BCADHN Cc1cc(CNC[C@H](O)CO)c(C)s1 ZINC000085246476 384930099 /nfs/dbraw/zinc/93/00/99/384930099.db2.gz DDAOEESELFDAJA-JTQLQIEISA-N 0 3 215.318 0.808 20 0 BCADHN C[C@H](N)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000261586473 384930461 /nfs/dbraw/zinc/93/04/61/384930461.db2.gz RCGDVSRWXRKGOB-WCBMZHEXSA-N 0 3 241.360 0.814 20 0 BCADHN CC[C@@H](O)CNCc1cccc(C(=O)NC)c1 ZINC000644519071 384934212 /nfs/dbraw/zinc/93/42/12/384934212.db2.gz NYNYFXCVQGODIA-GFCCVEGCSA-N 0 3 236.315 0.907 20 0 BCADHN OCC(CO)NCc1ccc2[nH]cnc2c1 ZINC000258672693 384934398 /nfs/dbraw/zinc/93/43/98/384934398.db2.gz IFPIGJDHJURLRS-UHFFFAOYSA-N 0 3 221.260 0.006 20 0 BCADHN OCC(CO)NCc1ccc2nc[nH]c2c1 ZINC000258672693 384934402 /nfs/dbraw/zinc/93/44/02/384934402.db2.gz IFPIGJDHJURLRS-UHFFFAOYSA-N 0 3 221.260 0.006 20 0 BCADHN CCNC(=O)CC(=O)Nc1cccc(CN)c1 ZINC000647607392 384936301 /nfs/dbraw/zinc/93/63/01/384936301.db2.gz MXEDPNSLZLSMFA-UHFFFAOYSA-N 0 3 235.287 0.610 20 0 BCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccccc1 ZINC000085363096 384939589 /nfs/dbraw/zinc/93/95/89/384939589.db2.gz CRRUXJARVRHAJD-UHFFFAOYSA-N 0 3 249.314 0.645 20 0 BCADHN CCCn1cc(CNCCC(=O)NC)cn1 ZINC000164197598 384940225 /nfs/dbraw/zinc/94/02/25/384940225.db2.gz YBHXNZCHELLUJE-UHFFFAOYSA-N 0 3 224.308 0.519 20 0 BCADHN CC(C)[C@H](C(=O)NCc1ccnn1C)N(C)C ZINC000106905111 384942075 /nfs/dbraw/zinc/94/20/75/384942075.db2.gz ZMGUFTIZQRFEDQ-LLVKDONJSA-N 0 3 238.335 0.623 20 0 BCADHN CN(C[C@H](O)CNCc1cscn1)C1CC1 ZINC000644532664 384943772 /nfs/dbraw/zinc/94/37/72/384943772.db2.gz HUYPOUDALKNXEH-LLVKDONJSA-N 0 3 241.360 0.688 20 0 BCADHN COc1ccccc1CNC[C@@H]1CNCCO1 ZINC000258886835 384944834 /nfs/dbraw/zinc/94/48/34/384944834.db2.gz JQDOUWIXTRAPHI-LBPRGKRZSA-N 0 3 236.315 0.773 20 0 BCADHN COc1cccc(CNC[C@H]2CNCCO2)c1 ZINC000258856521 384947906 /nfs/dbraw/zinc/94/79/06/384947906.db2.gz GORATHLWMGHIBN-CYBMUJFWSA-N 0 3 236.315 0.773 20 0 BCADHN CC[C@@H](C(N)=O)N(C)C[C@@H]1CCCOC1 ZINC000104352635 384966659 /nfs/dbraw/zinc/96/66/59/384966659.db2.gz ZYDWUEIYQLQJKY-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1O)N(C)C ZINC000152152883 384969097 /nfs/dbraw/zinc/96/90/97/384969097.db2.gz ADDZTSJPUIWYMN-IJLUTSLNSA-N 0 3 242.363 0.992 20 0 BCADHN C[C@@H](O)CN[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000644563067 384969468 /nfs/dbraw/zinc/96/94/68/384969468.db2.gz KIKPXQZFZCMZRO-MXWKQRLJSA-N 0 3 228.336 0.746 20 0 BCADHN Cc1cc(CNC[C@H](O)CCOC(C)C)n[nH]1 ZINC000644565071 384971656 /nfs/dbraw/zinc/97/16/56/384971656.db2.gz CPCBOKLTFIYGMY-GFCCVEGCSA-N 0 3 241.335 0.984 20 0 BCADHN Cc1cc(CNC[C@H](O)CCOC(C)C)[nH]n1 ZINC000644565071 384971661 /nfs/dbraw/zinc/97/16/61/384971661.db2.gz CPCBOKLTFIYGMY-GFCCVEGCSA-N 0 3 241.335 0.984 20 0 BCADHN CCCCOC[C@H](O)CNCc1cc(C)[nH]n1 ZINC000644565099 384971728 /nfs/dbraw/zinc/97/17/28/384971728.db2.gz FFQXZYMNVFSLSN-GFCCVEGCSA-N 0 3 241.335 0.985 20 0 BCADHN CCCCOC[C@H](O)CNCc1cc(C)n[nH]1 ZINC000644565099 384971732 /nfs/dbraw/zinc/97/17/32/384971732.db2.gz FFQXZYMNVFSLSN-GFCCVEGCSA-N 0 3 241.335 0.985 20 0 BCADHN CC(C)N(C)CC(=O)N1CC2(C1)CCOCC2 ZINC000647615495 384971889 /nfs/dbraw/zinc/97/18/89/384971889.db2.gz LLCMJOPQYYGNJE-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CCOCC[C@H](O)CNCc1cc(C)[nH]n1 ZINC000644565431 384973982 /nfs/dbraw/zinc/97/39/82/384973982.db2.gz XTFHDRLMYXYRNR-NSHDSACASA-N 0 3 227.308 0.595 20 0 BCADHN CCOCC[C@H](O)CNCc1cc(C)n[nH]1 ZINC000644565431 384973988 /nfs/dbraw/zinc/97/39/88/384973988.db2.gz XTFHDRLMYXYRNR-NSHDSACASA-N 0 3 227.308 0.595 20 0 BCADHN C[C@H](N)C(=O)NCCC(=O)NCc1ccccc1 ZINC000156826038 384975839 /nfs/dbraw/zinc/97/58/39/384975839.db2.gz PQTAZSYXIUUEQM-JTQLQIEISA-N 0 3 249.314 0.156 20 0 BCADHN C[C@H](N)C(=O)N1CCCO[C@H]2CCC[C@@H]21 ZINC000370698601 384976474 /nfs/dbraw/zinc/97/64/74/384976474.db2.gz HFRTZSCAUINCGF-GUBZILKMSA-N 0 3 212.293 0.504 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC000364095315 384982144 /nfs/dbraw/zinc/98/21/44/384982144.db2.gz HWCLYEMFVAFQAJ-JQWIXIFHSA-N 0 3 226.320 0.481 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000565776788 384983663 /nfs/dbraw/zinc/98/36/63/384983663.db2.gz HQUKGKBIYDMNMD-VXGBXAGGSA-N 0 3 249.314 0.371 20 0 BCADHN CC[C@H]1CN(C[C@@H](O)CN(C)C2CC2)CCO1 ZINC000310330810 384985140 /nfs/dbraw/zinc/98/51/40/384985140.db2.gz JZOAGSJIRPLNRS-STQMWFEESA-N 0 3 242.363 0.552 20 0 BCADHN OC[C@H]1CCN(CCc2ccccc2)C[C@@H]1O ZINC000557504601 384986593 /nfs/dbraw/zinc/98/65/93/384986593.db2.gz CWQCMRZZEIPCGL-KGLIPLIRSA-N 0 3 235.327 0.904 20 0 BCADHN CC[C@H](O)CN[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000644579828 384987448 /nfs/dbraw/zinc/98/74/48/384987448.db2.gz NMSIONPJGDIQDS-ZNSHCXBVSA-N 0 3 226.320 0.356 20 0 BCADHN Cc1noc(C)c1CNC(=O)[C@@H](N)C(C)C ZINC000086110090 384988486 /nfs/dbraw/zinc/98/84/86/384988486.db2.gz ZVFUGNTXIPOPQV-JTQLQIEISA-N 0 3 225.292 0.891 20 0 BCADHN CO[C@@]1(CNCc2cncn2C)CCOC1 ZINC000156862163 384994294 /nfs/dbraw/zinc/99/42/94/384994294.db2.gz USTSECJESIQQNK-LLVKDONJSA-N 0 3 225.292 0.315 20 0 BCADHN CCOC1CC(CCNC(=O)CNC)C1 ZINC000518371997 384995625 /nfs/dbraw/zinc/99/56/25/384995625.db2.gz YPYMIYOPGXJJSX-UHFFFAOYSA-N 0 3 214.309 0.527 20 0 BCADHN CC[C@@H](COC)N[C@@H]1CC(=O)N(C)C1 ZINC000308702514 384998284 /nfs/dbraw/zinc/99/82/84/384998284.db2.gz VLHYAYFDSLTWAB-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CO[C@]1(CNCc2c[nH]nc2C)CCOC1 ZINC000156872028 384999172 /nfs/dbraw/zinc/99/91/72/384999172.db2.gz VBIOMJLUHHCOKJ-NSHDSACASA-N 0 3 225.292 0.613 20 0 BCADHN CN(C)CCn1nccc1NC(=O)c1cnco1 ZINC000647438013 384999359 /nfs/dbraw/zinc/99/93/59/384999359.db2.gz KZDQUUWDPSVNCK-UHFFFAOYSA-N 0 3 249.274 0.685 20 0 BCADHN CCNC(=O)C(C)(C)NCCc1cnccn1 ZINC000402590042 385000440 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CCN1CC[C@@H](NC[C@@H](O)CCC(C)C)C1=O ZINC000644642929 385049566 /nfs/dbraw/zinc/04/95/66/385049566.db2.gz SSVVXFYMYMRGLR-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN Cn1cc(CNCCO)c(C(F)F)n1 ZINC000308741308 385050094 /nfs/dbraw/zinc/05/00/94/385050094.db2.gz OWVKEPKVACCMMO-UHFFFAOYSA-N 0 3 205.208 0.440 20 0 BCADHN C[C@@H](N[C@@H]1COCC1(C)C)C(=O)N(C)C ZINC000312990259 385052384 /nfs/dbraw/zinc/05/23/84/385052384.db2.gz CIKDFYOALZANGK-RKDXNWHRSA-N 0 3 214.309 0.478 20 0 BCADHN COC(C)(C)[C@@H](C)NCc1cnnn1C ZINC000340400362 385053466 /nfs/dbraw/zinc/05/34/66/385053466.db2.gz IBKFZWRROLBHMQ-MRVPVSSYSA-N 0 3 212.297 0.718 20 0 BCADHN CC[C@](C)(OC)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646916371 385057118 /nfs/dbraw/zinc/05/71/18/385057118.db2.gz GTXMJRUYBRMYIH-MDZLAQPJSA-N 0 3 240.347 0.964 20 0 BCADHN Cn1cncc1CC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646917064 385057460 /nfs/dbraw/zinc/05/74/60/385057460.db2.gz WKHLLVBLRHAPJR-ZYHUDNBSSA-N 0 3 248.330 0.125 20 0 BCADHN COCC[C@H](C)NC(=O)N(C)CCN(C)C 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C[C@@H](O)CN[C@H]1CCCN(c2cccnc2)C1=O ZINC000644620381 385026931 /nfs/dbraw/zinc/02/69/31/385026931.db2.gz SITXSENMQFYOAJ-PWSUYJOCSA-N 0 3 249.314 0.547 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000108261511 385028751 /nfs/dbraw/zinc/02/87/51/385028751.db2.gz IVQJZHHXNLTYAC-LLVKDONJSA-N 0 3 249.314 0.385 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000108261509 385029595 /nfs/dbraw/zinc/02/95/95/385029595.db2.gz IVQJZHHXNLTYAC-NSHDSACASA-N 0 3 249.314 0.385 20 0 BCADHN CCCc1nnc(NC(=O)C2(N)CC2)s1 ZINC000261576618 385030512 /nfs/dbraw/zinc/03/05/12/385030512.db2.gz KLEGCBRJQHRSTC-UHFFFAOYSA-N 0 3 226.305 0.920 20 0 BCADHN C[C@@H](O)CN[C@H]1C[C@@H]2CCCCN2C1=O ZINC000644666831 385083031 /nfs/dbraw/zinc/08/30/31/385083031.db2.gz ZIUIGAQNFRVOQK-UTLUCORTSA-N 0 3 212.293 0.110 20 0 BCADHN CN(CCNC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC000058962157 385035606 /nfs/dbraw/zinc/03/56/06/385035606.db2.gz PDMFYJZXQVQFJK-UHFFFAOYSA-N 0 3 235.287 0.199 20 0 BCADHN 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COC[C@H](O)CN1CC[C@@H](O)C(C)(C)C1 ZINC000308793941 385116137 /nfs/dbraw/zinc/11/61/37/385116137.db2.gz DSZJVIKLXBJSEB-NXEZZACHSA-N 0 3 217.309 0.087 20 0 BCADHN COC[C@](C)(CCO)NCc1cccn1C ZINC000165447844 385125643 /nfs/dbraw/zinc/12/56/43/385125643.db2.gz AHMWRPKNKBNNHW-LBPRGKRZSA-N 0 3 226.320 0.902 20 0 BCADHN COCCC1(C(=O)N(C)CCN(C)C)CC1 ZINC000448239938 385126629 /nfs/dbraw/zinc/12/66/29/385126629.db2.gz KFWSNRBKJJIEJU-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN C[C@H](O)CN1CCN(C2CCCC2)CC1 ZINC000052062791 385127475 /nfs/dbraw/zinc/12/74/75/385127475.db2.gz DWXIBXOQVHIRMH-NSHDSACASA-N 0 3 212.337 0.927 20 0 BCADHN CN(C)CCN(C)C(=O)c1cc[nH]c(=O)c1 ZINC000151722121 385128159 /nfs/dbraw/zinc/12/81/59/385128159.db2.gz ZHSDNCVADJSFJI-UHFFFAOYSA-N 0 3 223.276 0.009 20 0 BCADHN C[C@H](N)C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000157263487 385130146 /nfs/dbraw/zinc/13/01/46/385130146.db2.gz KIEPVHPSZVOPLY-ZETCQYMHSA-N 0 3 231.259 0.757 20 0 BCADHN Cc1c(CN2C[C@H]3[C@H](CO)[C@H]3C2)cnn1C ZINC000644714680 385130362 /nfs/dbraw/zinc/13/03/62/385130362.db2.gz UWLNONWSQLAFOC-GDNZZTSVSA-N 0 3 221.304 0.399 20 0 BCADHN CCc1ccc(O)c(NC(=O)[C@@H](CN)OC)c1 ZINC000227391480 385137026 /nfs/dbraw/zinc/13/70/26/385137026.db2.gz IZJHJFSVKQRDRR-LLVKDONJSA-N 0 3 238.287 0.867 20 0 BCADHN CC(C)[C@H](C(=O)N(C)CC[C@H](C)O)N(C)C ZINC000151894796 385138305 /nfs/dbraw/zinc/13/83/05/385138305.db2.gz SIEPHUSWZMDEGS-WDEREUQCSA-N 0 3 230.352 0.802 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCOC1 ZINC000088722040 385139000 /nfs/dbraw/zinc/13/90/00/385139000.db2.gz HSEPWTJYFZVWPZ-BDAKNGLRSA-N 0 3 221.322 0.188 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@@H]1CC1(C)C ZINC000227417682 385139610 /nfs/dbraw/zinc/13/96/10/385139610.db2.gz RGUHBTBNLFOBJJ-YUMQZZPRSA-N 0 3 200.282 0.122 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCOC1 ZINC000088722039 385139912 /nfs/dbraw/zinc/13/99/12/385139912.db2.gz HSEPWTJYFZVWPZ-DTWKUNHWSA-N 0 3 221.322 0.188 20 0 BCADHN C[C@H](CCN(C)C)Nc1nccn(C)c1=O ZINC000061752107 385139949 /nfs/dbraw/zinc/13/99/49/385139949.db2.gz LPGKUVJWIJMGLD-SECBINFHSA-N 0 3 224.308 0.532 20 0 BCADHN CN1CC=C(CNC(=O)Cn2ccnc2)CC1 ZINC000557698336 385090585 /nfs/dbraw/zinc/09/05/85/385090585.db2.gz GMZMKWGMCRJVEU-UHFFFAOYSA-N 0 3 234.303 0.261 20 0 BCADHN CC(C)[C@](C)(O)CNC(=O)/C=C\CN(C)C ZINC000491946055 385090808 /nfs/dbraw/zinc/09/08/08/385090808.db2.gz AAHUYOWBHNRDIB-ZHRWSRJISA-N 0 3 228.336 0.627 20 0 BCADHN CCCOCC(=O)NC[C@@H](C)N(C)C ZINC000068503621 385091262 /nfs/dbraw/zinc/09/12/62/385091262.db2.gz PIVCMRAMNHWRSF-SECBINFHSA-N 0 3 202.298 0.479 20 0 BCADHN CN(Cc1nccs1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188778080 385091659 /nfs/dbraw/zinc/09/16/59/385091659.db2.gz RNIOJKIXBBCIEX-JGVFFNPUSA-N 0 3 243.307 0.802 20 0 BCADHN C[C@@H](O)CCN(C)CC1CCS(=O)(=O)CC1 ZINC000407948856 385094639 /nfs/dbraw/zinc/09/46/39/385094639.db2.gz XDLHQXZQXNDVOQ-SNVBAGLBSA-N 0 3 249.376 0.514 20 0 BCADHN CCS(=O)(=O)NCCN1CCC[C@@H]1C1CC1 ZINC000363368748 385095136 /nfs/dbraw/zinc/09/51/36/385095136.db2.gz XSEGCOWZTFSDBT-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN CC[C@H](C(N)=O)N1CCCO[C@@H](CC)C1 ZINC000308772223 385095237 /nfs/dbraw/zinc/09/52/37/385095237.db2.gz LEQJNYHTZIHHIJ-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN CN1CCC[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC000530815890 385098319 /nfs/dbraw/zinc/09/83/19/385098319.db2.gz HETLWSCCXMBBAR-JTQLQIEISA-N 0 3 236.319 0.410 20 0 BCADHN NCc1ccc(C(=O)NCC(F)(F)CN)o1 ZINC000646976427 385106932 /nfs/dbraw/zinc/10/69/32/385106932.db2.gz ZSTXZFVYLJUXJZ-UHFFFAOYSA-N 0 3 233.218 0.062 20 0 BCADHN Cc1nc(CN[C@@]2(C)CCO[C@@H]2C)n[nH]1 ZINC000336763003 385183474 /nfs/dbraw/zinc/18/34/74/385183474.db2.gz ORLYIEOCFPDTBT-XCBNKYQSSA-N 0 3 210.281 0.770 20 0 BCADHN N[C@H](CNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 ZINC000062838009 385189992 /nfs/dbraw/zinc/18/99/92/385189992.db2.gz DDVOJGGYHCVNAP-GHMZBOCLSA-N 0 3 247.298 0.081 20 0 BCADHN C[C@H](CO)NCc1cn(C)nc1C(F)F ZINC000308821512 385190549 /nfs/dbraw/zinc/19/05/49/385190549.db2.gz CDMWMTZDPKJMIU-ZCFIWIBFSA-N 0 3 219.235 0.828 20 0 BCADHN NC(=O)C[C@@H]1COCCN1C[C@@H]1CC=CCC1 ZINC000449769442 385190911 /nfs/dbraw/zinc/19/09/11/385190911.db2.gz HBYBYBBUEQPSFD-VXGBXAGGSA-N 0 3 238.331 0.919 20 0 BCADHN NC(=O)C[C@H]1COCCN1C[C@H]1CC=CCC1 ZINC000449769441 385191075 /nfs/dbraw/zinc/19/10/75/385191075.db2.gz HBYBYBBUEQPSFD-RYUDHWBXSA-N 0 3 238.331 0.919 20 0 BCADHN CCCCNC(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000644728803 385196008 /nfs/dbraw/zinc/19/60/08/385196008.db2.gz JPDMFROUQOUFEL-VXGBXAGGSA-N 0 3 239.363 0.539 20 0 BCADHN Cc1ccncc1CNCCn1cncn1 ZINC000279789246 385202264 /nfs/dbraw/zinc/20/22/64/385202264.db2.gz CQSAAVLGQHRMRL-UHFFFAOYSA-N 0 3 217.276 0.771 20 0 BCADHN CN(Cc1cncn1C)C[C@@H]1CCOC1 ZINC000177210954 385198082 /nfs/dbraw/zinc/19/80/82/385198082.db2.gz QPLPOHOKPKDBRB-JTQLQIEISA-N 0 3 209.293 0.888 20 0 BCADHN CC(C)n1cc(CN2CC[C@H]3CN(C)C[C@@H]32)nn1 ZINC000644728567 385199092 /nfs/dbraw/zinc/19/90/92/385199092.db2.gz INVHTOKTVNKJSI-AAEUAGOBSA-N 0 3 249.362 0.995 20 0 BCADHN CCOC(=O)CCN(C)CCC(=O)N(C)CC ZINC000178196404 385199448 /nfs/dbraw/zinc/19/94/48/385199448.db2.gz CEDKVHGHRUWWSR-UHFFFAOYSA-N 0 3 244.335 0.740 20 0 BCADHN COc1nccc(CNC[C@@H]2CCC[C@H]2O)n1 ZINC000295684745 385144664 /nfs/dbraw/zinc/14/46/64/385144664.db2.gz LFJOJGYNDPVOCS-GXSJLCMTSA-N 0 3 237.303 0.736 20 0 BCADHN c1ccc(CNCCN2CCCOCC2)nc1 ZINC000061936698 385145752 /nfs/dbraw/zinc/14/57/52/385145752.db2.gz NQHKEJKHYJOPFF-UHFFFAOYSA-N 0 3 235.331 0.894 20 0 BCADHN CO[C@H](CN[C@H]1CCCS(=O)(=O)C1)C(C)C ZINC000336762814 385154056 /nfs/dbraw/zinc/15/40/56/385154056.db2.gz LSWZJFSABDTNNM-WDEREUQCSA-N 0 3 249.376 0.824 20 0 BCADHN CSCCN1CCC(NC(N)=O)CC1 ZINC000176914568 385156887 /nfs/dbraw/zinc/15/68/87/385156887.db2.gz RQRKGIKCCRSPRP-UHFFFAOYSA-N 0 3 217.338 0.482 20 0 BCADHN Cc1c[nH]nc1CNC[C@]1(O)CCO[C@H]1C ZINC000289674430 385160734 /nfs/dbraw/zinc/16/07/34/385160734.db2.gz ZXRWABSLVRPPAC-GXSJLCMTSA-N 0 3 225.292 0.348 20 0 BCADHN CCN(CC(N)=O)CC1(COC)CCC1 ZINC000361388640 385163065 /nfs/dbraw/zinc/16/30/65/385163065.db2.gz GERIBUINDAXQJK-UHFFFAOYSA-N 0 3 214.309 0.610 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CC23CC3)[C@H](C)CN1 ZINC000422633318 385166259 /nfs/dbraw/zinc/16/62/59/385166259.db2.gz OFTFQQYDYAXCBM-BBBLOLIVSA-N 0 3 208.305 0.995 20 0 BCADHN CO[C@@H](CNC(=O)[C@H](C)N)c1ccccc1 ZINC000152319207 385172843 /nfs/dbraw/zinc/17/28/43/385172843.db2.gz XPVDMIIBBRRGAN-ONGXEEELSA-N 0 3 222.288 0.838 20 0 BCADHN CCN(C[C@@H]1CCCO1)[C@@H]1COC[C@@H]1O ZINC000308811338 385181113 /nfs/dbraw/zinc/18/11/13/385181113.db2.gz QKIQZSNQDMUMEM-AXFHLTTASA-N 0 3 215.293 0.247 20 0 BCADHN Cc1c[nH]nc1CNCC[C@H](C)[S@](C)=O ZINC000308846912 385207629 /nfs/dbraw/zinc/20/76/29/385207629.db2.gz MORJDBDUAMVHGC-VFZGTOFNSA-N 0 3 229.349 0.965 20 0 BCADHN O=C1CCCCN1[C@H]1CCCN(CCCO)C1 ZINC000370898621 385211913 /nfs/dbraw/zinc/21/19/13/385211913.db2.gz MXEMUUYIULYIMG-LBPRGKRZSA-N 0 3 240.347 0.846 20 0 BCADHN COC(=O)[C@@H]1CCN(CCOC(C)C)C1 ZINC000107821057 385213286 /nfs/dbraw/zinc/21/32/86/385213286.db2.gz GQNKMEGKGKKPHJ-SNVBAGLBSA-N 0 3 215.293 0.906 20 0 BCADHN C[C@H]1OCC[C@H]1NCC1(CS(C)(=O)=O)CC1 ZINC000090183642 385214435 /nfs/dbraw/zinc/21/44/35/385214435.db2.gz HSYIKNZXPQZFOE-NXEZZACHSA-N 0 3 247.360 0.578 20 0 BCADHN NS(=O)(=O)C[C@H]1CCCN1CC1CCC1 ZINC000408423105 385214567 /nfs/dbraw/zinc/21/45/67/385214567.db2.gz NREUKUYFVBPOLV-SNVBAGLBSA-N 0 3 232.349 0.539 20 0 BCADHN Cn1nncc1CNC[C@H]1CCC(C)(C)O1 ZINC000328602017 385215112 /nfs/dbraw/zinc/21/51/12/385215112.db2.gz GMGLDPJXAPDETG-SNVBAGLBSA-N 0 3 224.308 0.862 20 0 BCADHN CC(C)C(=O)NCCN(C)C[C@@H]1CCCO1 ZINC000157569110 385215908 /nfs/dbraw/zinc/21/59/08/385215908.db2.gz CJCZORJZEHALKW-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](N[C@H]1CSC[C@H]1C)C(=O)NC1CC1 ZINC000308852573 385217125 /nfs/dbraw/zinc/21/71/25/385217125.db2.gz NDGYPCIBZLLZMJ-WEDXCCLWSA-N 0 3 228.361 0.995 20 0 BCADHN CCOC[C@@H](C)N[C@H](C)C(=O)NC(C)C ZINC000044723968 385218411 /nfs/dbraw/zinc/21/84/11/385218411.db2.gz DPNRMCHMYSVQNW-NXEZZACHSA-N 0 3 216.325 0.914 20 0 BCADHN CCN1CCC(NC(=O)c2noc(C)n2)CC1 ZINC000136693834 385222681 /nfs/dbraw/zinc/22/26/81/385222681.db2.gz JWWFGSWKRSCGHF-UHFFFAOYSA-N 0 3 238.291 0.592 20 0 BCADHN COC[C@@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000019436831 385223545 /nfs/dbraw/zinc/22/35/45/385223545.db2.gz SXRGJKGTVAVGCO-BDAKNGLRSA-N 0 3 202.298 0.511 20 0 BCADHN CC(C)n1nccc1CNCCOCCO ZINC000279892684 385223605 /nfs/dbraw/zinc/22/36/05/385223605.db2.gz KVRGJXQPRFWYPU-UHFFFAOYSA-N 0 3 227.308 0.563 20 0 BCADHN Cc1csc(=O)n1CCN1CCC[C@@H]1CO ZINC000063512569 385227406 /nfs/dbraw/zinc/22/74/06/385227406.db2.gz LCYDBQQGISESNC-SNVBAGLBSA-N 0 3 242.344 0.675 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)CC[C@H](C)O ZINC000157701519 385256911 /nfs/dbraw/zinc/25/69/11/385256911.db2.gz NYZPSFCVWDYTAF-IUCAKERBSA-N 0 3 202.298 0.199 20 0 BCADHN Cn1cncc1CNCCCO[C@H]1CCOC1 ZINC000152997636 385229985 /nfs/dbraw/zinc/22/99/85/385229985.db2.gz BSSDTOKPFBHDDC-LBPRGKRZSA-N 0 3 239.319 0.705 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)c1ccsc1 ZINC000153026909 385231036 /nfs/dbraw/zinc/23/10/36/385231036.db2.gz SLVZKCDOMGSVSP-NSHDSACASA-N 0 3 242.344 0.791 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(CCOC)CCOC ZINC000037621579 385231295 /nfs/dbraw/zinc/23/12/95/385231295.db2.gz QCKMITQIBLMXCY-GFCCVEGCSA-N 0 3 246.351 0.625 20 0 BCADHN Cc1ccsc1C(=O)NC[C@@H]1CNCCO1 ZINC000227785158 385233614 /nfs/dbraw/zinc/23/36/14/385233614.db2.gz XLBNUSDYUYPBDW-VIFPVBQESA-N 0 3 240.328 0.775 20 0 BCADHN COC(CN1CCC[C@@]12CCOC2)OC ZINC000308874932 385237780 /nfs/dbraw/zinc/23/77/80/385237780.db2.gz BGRQFGNOXUUMRB-NSHDSACASA-N 0 3 215.293 0.860 20 0 BCADHN CN(C)CCN[C@@H]1CCCc2c1cnn2C ZINC000037051409 385238470 /nfs/dbraw/zinc/23/84/70/385238470.db2.gz VBENKZLYUIUAPG-LLVKDONJSA-N 0 3 222.336 0.949 20 0 BCADHN CCOC[C@@H](O)CN1CCC(OC)CC1 ZINC000068950012 385238947 /nfs/dbraw/zinc/23/89/47/385238947.db2.gz VJKXRKLWQDGQMG-JTQLQIEISA-N 0 3 217.309 0.495 20 0 BCADHN CC(C)n1ncnc1CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644729741 385239694 /nfs/dbraw/zinc/23/96/94/385239694.db2.gz NPXKMOXELQCWFV-NEPJUHHUSA-N 0 3 249.362 0.995 20 0 BCADHN Cc1cc(CN2CC[C@@H]3CN(C)C[C@H]32)ncn1 ZINC000644729737 385239795 /nfs/dbraw/zinc/23/97/95/385239795.db2.gz NPFMOOQCDZYWMG-DGCLKSJQSA-N 0 3 232.331 0.921 20 0 BCADHN CCN1CCC(NC(=O)NCC(C)(C)O)CC1 ZINC000108541749 385242011 /nfs/dbraw/zinc/24/20/11/385242011.db2.gz IWJVOVRZXLZSKW-UHFFFAOYSA-N 0 3 243.351 0.541 20 0 BCADHN Cc1cc(CN2CC[C@H]3CN(C)C[C@H]32)nn1C ZINC000644729801 385242804 /nfs/dbraw/zinc/24/28/04/385242804.db2.gz HDGCAASHWPUVPV-WCQYABFASA-N 0 3 234.347 0.864 20 0 BCADHN C[C@@H](N)C(=O)N(Cc1ccccc1)C[C@H](C)O ZINC000306225611 385253248 /nfs/dbraw/zinc/25/32/48/385253248.db2.gz FSRLLBRORRJKJL-WDEREUQCSA-N 0 3 236.315 0.743 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](C)N)CCS1 ZINC000157712552 385253365 /nfs/dbraw/zinc/25/33/65/385253365.db2.gz QRKQQDAPPGDCIC-HTQZYQBOSA-N 0 3 202.323 0.688 20 0 BCADHN C[C@@H](CO)N1CCCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000364210054 385253875 /nfs/dbraw/zinc/25/38/75/385253875.db2.gz CTICUTXFVUVCOK-GRYCIOLGSA-N 0 3 240.347 0.558 20 0 BCADHN CCN(CCO)CCNC(=O)NCC=C(C)C ZINC000190680518 385254413 /nfs/dbraw/zinc/25/44/13/385254413.db2.gz DMPCELWSWOFMDG-UHFFFAOYSA-N 0 3 243.351 0.566 20 0 BCADHN Cc1ccc([O-])c(CN2CCO[C@H](C[NH3+])C2)n1 ZINC000164675173 385254727 /nfs/dbraw/zinc/25/47/27/385254727.db2.gz MDRNAZGDKPNBLV-SNVBAGLBSA-N 0 3 237.303 0.255 20 0 BCADHN COC(=O)N1CC(NCC2=CCCOC2)C1 ZINC000178171510 385204185 /nfs/dbraw/zinc/20/41/85/385204185.db2.gz NYTMMWJTYHGNNU-UHFFFAOYSA-N 0 3 226.276 0.373 20 0 BCADHN CO[C@@H]1CCCC[C@@H]1N[C@@H]1CCNC1=O ZINC000308938898 385305524 /nfs/dbraw/zinc/30/55/24/385305524.db2.gz LPXDXTPSFQOAMA-IVZWLZJFSA-N 0 3 212.293 0.422 20 0 BCADHN CO[C@@H]1CCCC[C@H]1N[C@H]1CCNC1=O ZINC000308938900 385306032 /nfs/dbraw/zinc/30/60/32/385306032.db2.gz LPXDXTPSFQOAMA-KXUCPTDWSA-N 0 3 212.293 0.422 20 0 BCADHN COCCSCCCNC1(C(N)=O)CC1 ZINC000308948205 385309705 /nfs/dbraw/zinc/30/97/05/385309705.db2.gz OJTIVSSDKDOMOG-UHFFFAOYSA-N 0 3 232.349 0.364 20 0 BCADHN CCCNC(=O)CN[C@@H]1COCC1(C)C ZINC000313060460 385312305 /nfs/dbraw/zinc/31/23/05/385312305.db2.gz VZLUASPDXGETPA-SECBINFHSA-N 0 3 214.309 0.527 20 0 BCADHN CC(C)n1nccc1CNCCCOCCO ZINC000280455676 385312282 /nfs/dbraw/zinc/31/22/82/385312282.db2.gz ZIZITVTWPFKDMJ-UHFFFAOYSA-N 0 3 241.335 0.953 20 0 BCADHN CCN(CC1CC1)[C@H](C)C(=O)NC(N)=O ZINC000157970757 385318986 /nfs/dbraw/zinc/31/89/86/385318986.db2.gz BIESTBONOOTYJB-SSDOTTSWSA-N 0 3 213.281 0.302 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)[nH]n1 ZINC000272598815 385320602 /nfs/dbraw/zinc/32/06/02/385320602.db2.gz YGTVGZCLOXWYAG-PWSUYJOCSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)n[nH]1 ZINC000272598815 385320604 /nfs/dbraw/zinc/32/06/04/385320604.db2.gz YGTVGZCLOXWYAG-PWSUYJOCSA-N 0 3 248.330 0.884 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N(C)[C@H](C)CC ZINC000178736310 385321042 /nfs/dbraw/zinc/32/10/42/385321042.db2.gz AZEOMTGFMPXBKW-BDAKNGLRSA-N 0 3 229.324 0.951 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000157992159 385321731 /nfs/dbraw/zinc/32/17/31/385321731.db2.gz LRLSGTIADMJPOK-RGOKHQFPSA-N 0 3 224.304 0.407 20 0 BCADHN C[C@@H](N)C(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000157731314 385261519 /nfs/dbraw/zinc/26/15/19/385261519.db2.gz UMIPYRIEQOGXMZ-MXWKQRLJSA-N 0 3 228.336 0.781 20 0 BCADHN C[C@H](Cn1cccn1)N[C@H](CO)[C@@H]1CCCO1 ZINC000448274228 385263364 /nfs/dbraw/zinc/26/33/64/385263364.db2.gz XOKJJJQTALUAFJ-UTUOFQBUSA-N 0 3 239.319 0.401 20 0 BCADHN C[C@@H](CN(C)C)Nc1nccn2cnnc12 ZINC000130593747 385263400 /nfs/dbraw/zinc/26/34/00/385263400.db2.gz AVRBDBDVIHHZIE-QMMMGPOBSA-N 0 3 220.280 0.486 20 0 BCADHN CCN(CC)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000371251309 385264192 /nfs/dbraw/zinc/26/41/92/385264192.db2.gz KFBJWSFKGUAIEW-NSHDSACASA-N 0 3 225.336 0.245 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC[C@](C)(O)CC1 ZINC000300239049 385322355 /nfs/dbraw/zinc/32/23/55/385322355.db2.gz YCWQWORDZAKKDW-PWSUYJOCSA-N 0 3 228.336 0.700 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H]1CCC[C@@]1(C)CO ZINC000492233286 385322374 /nfs/dbraw/zinc/32/23/74/385322374.db2.gz SPPJTYLNWBEALP-QGSKFPASSA-N 0 3 240.347 0.772 20 0 BCADHN Cn1cc(CN2CCC[C@@H](C(N)=O)C2)cn1 ZINC000130679741 385274080 /nfs/dbraw/zinc/27/40/80/385274080.db2.gz JVDZYTQXYYJYLX-SNVBAGLBSA-N 0 3 222.292 0.117 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2Cc2ccnn2C)C1 ZINC000644732188 385274526 /nfs/dbraw/zinc/27/45/26/385274526.db2.gz TUMUTGIWILHGSD-JQWIXIFHSA-N 0 3 220.320 0.556 20 0 BCADHN COC(=O)c1cc(CN(C)C[C@H](C)O)c[nH]1 ZINC000130659372 385275214 /nfs/dbraw/zinc/27/52/14/385275214.db2.gz DSZSZPJNVHVXMK-QMMMGPOBSA-N 0 3 226.276 0.614 20 0 BCADHN CCC1(O)CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000516658770 385276824 /nfs/dbraw/zinc/27/68/24/385276824.db2.gz XNNXZQZPEHYIJC-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCC[C@H](O)CC1 ZINC000336364961 385277668 /nfs/dbraw/zinc/27/76/68/385277668.db2.gz KNQWMICDCOMYHW-ONGXEEELSA-N 0 3 226.320 0.500 20 0 BCADHN CCOC[C@@H]1CCCN([C@@H](CC)C(N)=O)C1 ZINC000247039767 385279761 /nfs/dbraw/zinc/27/97/61/385279761.db2.gz RVOXICIPRLUIAL-MNOVXSKESA-N 0 3 228.336 0.999 20 0 BCADHN CC(C)[C@@](C)(CO)NCc1cncnc1 ZINC000308915288 385280886 /nfs/dbraw/zinc/28/08/86/385280886.db2.gz BBUIVNIVVYLVGB-LLVKDONJSA-N 0 3 209.293 0.973 20 0 BCADHN COC[C@@H](CC(C)C)N[C@@H](CO)COC ZINC000308915834 385282794 /nfs/dbraw/zinc/28/27/94/385282794.db2.gz FWGAQJAVVALQTR-MNOVXSKESA-N 0 3 219.325 0.644 20 0 BCADHN Cc1ccn2cc(C(=O)NCCN(C)C)nc2c1 ZINC000049753143 385285559 /nfs/dbraw/zinc/28/55/59/385285559.db2.gz PELPPUNIKWHONG-UHFFFAOYSA-N 0 3 246.314 0.934 20 0 BCADHN C[C@@H](O)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000558026592 385286642 /nfs/dbraw/zinc/28/66/42/385286642.db2.gz SYSDIJFNDYGEFE-NNYUYHANSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCOC[C@H]1C ZINC000558021892 385286774 /nfs/dbraw/zinc/28/67/74/385286774.db2.gz AHSIFVGBLQAERY-OUAUKWLOSA-N 0 3 228.336 0.725 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CCCSC ZINC000157816712 385287229 /nfs/dbraw/zinc/28/72/29/385287229.db2.gz VLHUAKZYZFWNOU-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN CCOCCO[C@H]1CCN(CCOCCO)C1 ZINC000157816123 385287678 /nfs/dbraw/zinc/28/76/78/385287678.db2.gz IIWWPTQGRUVYKT-LBPRGKRZSA-N 0 3 247.335 0.123 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCO[C@H]1C ZINC000558031656 385287694 /nfs/dbraw/zinc/28/76/94/385287694.db2.gz POQLEVZSXRNALB-GUBZILKMSA-N 0 3 214.309 0.478 20 0 BCADHN CC(C)(C)[C@@H](NCc1cnc[nH]1)C(N)=O ZINC000280276044 385288963 /nfs/dbraw/zinc/28/89/63/385288963.db2.gz RRDZEDHSKYNQAW-QMMMGPOBSA-N 0 3 210.281 0.399 20 0 BCADHN CSCCN(C)C[C@@H](O)Cn1cccn1 ZINC000178503635 385291789 /nfs/dbraw/zinc/29/17/89/385291789.db2.gz IDSWQLBUHVRLQX-SNVBAGLBSA-N 0 3 229.349 0.539 20 0 BCADHN C[C@H](CCNC(=O)/C=C\CN(C)C)[S@](C)=O ZINC000492170453 385293045 /nfs/dbraw/zinc/29/30/45/385293045.db2.gz OZNYOIXIJWHYFB-LPRXTCDHSA-N 0 3 246.376 0.378 20 0 BCADHN COC(=O)c1ccc(CN[C@H](C)[C@@H](C)CO)[nH]1 ZINC000167067433 385295943 /nfs/dbraw/zinc/29/59/43/385295943.db2.gz KFOYCMMRSPOCFT-DTWKUNHWSA-N 0 3 240.303 0.908 20 0 BCADHN CCc1nc(CN2CCN(C3CC3)CC2)n[nH]1 ZINC000157864048 385296130 /nfs/dbraw/zinc/29/61/30/385296130.db2.gz LLLKDZBJSGQDLX-UHFFFAOYSA-N 0 3 235.335 0.647 20 0 BCADHN Cn1cncc1CN[C@H]1C[C@H](O)C1(C)C ZINC000168166682 385297226 /nfs/dbraw/zinc/29/72/26/385297226.db2.gz CQUCUGAOVMUWEZ-UWVGGRQHSA-N 0 3 209.293 0.669 20 0 BCADHN NC(=O)c1csc(CNCC2(O)CCC2)c1 ZINC000157879665 385297991 /nfs/dbraw/zinc/29/79/91/385297991.db2.gz JUNVJBRVDREQLU-UHFFFAOYSA-N 0 3 240.328 0.852 20 0 BCADHN C[C@@H](C[S@](C)=O)N(C)C1CCN(C)CC1 ZINC000131000291 385298681 /nfs/dbraw/zinc/29/86/81/385298681.db2.gz VYSXLUYOSYKENK-ZUZCIYMTSA-N 0 3 232.393 0.779 20 0 BCADHN CN(C)CCNC(=O)CCC(=O)OC(C)(C)C ZINC000191908072 385331395 /nfs/dbraw/zinc/33/13/95/385331395.db2.gz SHLTWWOIIHWPEF-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN C[C@H](N[C@H]1CCSC1)c1ccc(=O)[nH]n1 ZINC000308999017 385331918 /nfs/dbraw/zinc/33/19/18/385331918.db2.gz NKBVLGQLYZHUOU-YUMQZZPRSA-N 0 3 225.317 0.926 20 0 BCADHN CCC[C@@H]1CN(C(=O)[C@@H](C)N)CCO1 ZINC000158056989 385333037 /nfs/dbraw/zinc/33/30/37/385333037.db2.gz ANONQPAIBMWHRX-RKDXNWHRSA-N 0 3 200.282 0.361 20 0 BCADHN Cc1cnn(C)c1CNC[C@H](O)C(C)C ZINC000308992577 385336109 /nfs/dbraw/zinc/33/61/09/385336109.db2.gz LQCLHIHOJIOUHP-NSHDSACASA-N 0 3 211.309 0.835 20 0 BCADHN Cn1cncc1CNC[C@](C)(O)C1CC1 ZINC000308992585 385336400 /nfs/dbraw/zinc/33/64/00/385336400.db2.gz OGYYTZHNBOFRET-NSHDSACASA-N 0 3 209.293 0.671 20 0 BCADHN CC(C)CC[C@@H](O)CNC1(C(N)=O)CC1 ZINC000308994025 385336496 /nfs/dbraw/zinc/33/64/96/385336496.db2.gz LXSJBOHCVBUFQD-SECBINFHSA-N 0 3 214.309 0.391 20 0 BCADHN CN1CC[C@H]2CCN(c3nccn(C)c3=O)C[C@H]21 ZINC000364302332 385338676 /nfs/dbraw/zinc/33/86/76/385338676.db2.gz IGOIKABBTSDMIN-WDEREUQCSA-N 0 3 248.330 0.311 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H](CCO)c1ccccc1 ZINC000178133481 385338752 /nfs/dbraw/zinc/33/87/52/385338752.db2.gz MNDSYKREZIRLNB-CMPLNLGQSA-N 0 3 236.315 0.616 20 0 BCADHN Cn1nccc1CNCC1([S@@](C)=O)CCC1 ZINC000280581680 385339101 /nfs/dbraw/zinc/33/91/01/385339101.db2.gz HNWFOVAFLMXFLE-MRXNPFEDSA-N 0 3 241.360 0.811 20 0 BCADHN Nc1ncc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)s1 ZINC000228116141 385341823 /nfs/dbraw/zinc/34/18/23/385341823.db2.gz LPAVNSWAAANKND-FXBDTBDDSA-N 0 3 239.344 0.928 20 0 BCADHN C[C@@H](CNCCCC1(O)CCC1)S(C)(=O)=O ZINC000521030933 385342951 /nfs/dbraw/zinc/34/29/51/385342951.db2.gz JEMNVVLMNFOZOO-JTQLQIEISA-N 0 3 249.376 0.704 20 0 BCADHN CCN1C[C@H](N[C@@H]2COC(C)(C)C2)CC1=O ZINC000335358413 385345898 /nfs/dbraw/zinc/34/58/98/385345898.db2.gz PAWICXVTFYGWIP-ZJUUUORDSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1ccnn1C ZINC000192251865 385350572 /nfs/dbraw/zinc/35/05/72/385350572.db2.gz ZUXVARMEYDNEHQ-NXEZZACHSA-N 0 3 236.319 0.692 20 0 BCADHN O=C(NC[C@H]1CCCO1)[C@H]1CNCCC1(F)F ZINC000643984069 385351282 /nfs/dbraw/zinc/35/12/82/385351282.db2.gz RHYNCHSEZGSRQR-RKDXNWHRSA-N 0 3 248.273 0.526 20 0 BCADHN CCc1nnc(CN2CC[C@H]3CN(C)C[C@H]32)[nH]1 ZINC000644735273 385352074 /nfs/dbraw/zinc/35/20/74/385352074.db2.gz RRLQQWNYQRTSAL-VHSXEESVSA-N 0 3 235.335 0.503 20 0 BCADHN COc1ccc(CN2CC[C@H]3CN(C)C[C@H]32)nn1 ZINC000644735038 385352326 /nfs/dbraw/zinc/35/23/26/385352326.db2.gz PHORGPNEYFERMV-CMPLNLGQSA-N 0 3 248.330 0.621 20 0 BCADHN CCc1nnc(CN2CC[C@@H]3CN(C)C[C@@H]32)[nH]1 ZINC000644735274 385352417 /nfs/dbraw/zinc/35/24/17/385352417.db2.gz RRLQQWNYQRTSAL-ZJUUUORDSA-N 0 3 235.335 0.503 20 0 BCADHN CN1C[C@H]2CCN(CC(=O)N3CCCC3)[C@H]2C1 ZINC000644734107 385353618 /nfs/dbraw/zinc/35/36/18/385353618.db2.gz ZXBAXLMBCLFNHC-NEPJUHHUSA-N 0 3 237.347 0.245 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC(OC(C)C)CC1 ZINC000643989912 385356474 /nfs/dbraw/zinc/35/64/74/385356474.db2.gz ATACMVCZNZMANQ-LLVKDONJSA-N 0 3 244.335 0.376 20 0 BCADHN CO[C@H]1COC[C@@H]1NCc1[nH]ncc1C ZINC000289746832 385357550 /nfs/dbraw/zinc/35/75/50/385357550.db2.gz HXYKCIHLYHADAH-UWVGGRQHSA-N 0 3 211.265 0.222 20 0 BCADHN C[C@@H](NC(=O)[C@H]1NCC1(C)C)c1cnn(C)c1 ZINC000643991108 385357901 /nfs/dbraw/zinc/35/79/01/385357901.db2.gz ILGGSNQAMHLDRH-PSASIEDQSA-N 0 3 236.319 0.595 20 0 BCADHN CC(C)[C@@H](CO)CNCc1cncn1C ZINC000309009997 385359581 /nfs/dbraw/zinc/35/95/81/385359581.db2.gz RLQSMWDNJIIEFG-SNVBAGLBSA-N 0 3 211.309 0.774 20 0 BCADHN C[C@](CO)(NCC(N)=O)C1CCCCC1 ZINC000309008226 385359650 /nfs/dbraw/zinc/35/96/50/385359650.db2.gz QTJSMQBGILDJHM-LLVKDONJSA-N 0 3 214.309 0.393 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@H]1CCc2nccn2C1 ZINC000364332874 385359630 /nfs/dbraw/zinc/35/96/30/385359630.db2.gz ZBHMEJKSDBIWHS-UFFNRZRYSA-N 0 3 248.330 0.432 20 0 BCADHN CC[C@@H](COC)NC[C@@H](O)c1cnn(C)c1 ZINC000168290857 385359889 /nfs/dbraw/zinc/35/98/89/385359889.db2.gz ZODLICVZFFZNFU-WDEREUQCSA-N 0 3 227.308 0.468 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1ccc2nncn2c1 ZINC000492347148 385360779 /nfs/dbraw/zinc/36/07/79/385360779.db2.gz IDFMTTWZMJHHKO-ONEGZZNKSA-N 0 3 245.286 0.786 20 0 BCADHN CC[C@H](NC(=O)C12CCCN1CCC2)[C@H](C)O ZINC000408462506 385364802 /nfs/dbraw/zinc/36/48/02/385364802.db2.gz DLVRLWPIUHVNLG-QWRGUYRKSA-N 0 3 240.347 0.890 20 0 BCADHN CCN(CCNC(=O)N[C@H]1CCOC1)C1CC1 ZINC000179180186 385366959 /nfs/dbraw/zinc/36/69/59/385366959.db2.gz SWCAVFVLYOCNCC-JTQLQIEISA-N 0 3 241.335 0.559 20 0 BCADHN CCCCCN(CC(N)=O)C[C@H](C)O ZINC000192790818 385373303 /nfs/dbraw/zinc/37/33/03/385373303.db2.gz OAWBZCQZBYQVCI-VIFPVBQESA-N 0 3 202.298 0.345 20 0 BCADHN CCCN(CC(=O)N(C)C)C[C@@H](C)O ZINC000192971556 385378450 /nfs/dbraw/zinc/37/84/50/385378450.db2.gz ITKZUQWIZJORGA-SECBINFHSA-N 0 3 202.298 0.167 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NC[C@@]1(C)CCOC1 ZINC000644018665 385379669 /nfs/dbraw/zinc/37/96/69/385379669.db2.gz UKOJGVXHJVCNQL-BXKDBHETSA-N 0 3 226.320 0.527 20 0 BCADHN Cc1cncc(NC(=O)[C@H]2C[C@H](O)CN2)c1 ZINC000168683313 385381624 /nfs/dbraw/zinc/38/16/24/385381624.db2.gz NYLWUMBLIVQXIN-VHSXEESVSA-N 0 3 221.260 0.051 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC000155220374 385381881 /nfs/dbraw/zinc/38/18/81/385381881.db2.gz FIIUSBHNOYUSAY-LLVKDONJSA-N 0 3 234.303 0.643 20 0 BCADHN CCOC[C@H](C)N[C@@H]1CCS(=O)(=O)[C@H]1C ZINC000309035895 385382558 /nfs/dbraw/zinc/38/25/58/385382558.db2.gz HZZVNXQZHTWYCR-LPEHRKFASA-N 0 3 235.349 0.577 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@@H]1CCCOC1 ZINC000309054873 385386286 /nfs/dbraw/zinc/38/62/86/385386286.db2.gz SHIINZFHGNKSFY-RNFRBKRXSA-N 0 3 222.235 0.264 20 0 BCADHN CN(CCO)C(=O)NC1CCN(C2CC2)CC1 ZINC000408059743 385387460 /nfs/dbraw/zinc/38/74/60/385387460.db2.gz BISRDXKPCZPGEJ-UHFFFAOYSA-N 0 3 241.335 0.247 20 0 BCADHN CCOCCN[C@H](COC)[C@H]1CCCO1 ZINC000309041579 385387958 /nfs/dbraw/zinc/38/79/58/385387958.db2.gz LOASBWAGWAPBON-GHMZBOCLSA-N 0 3 217.309 0.807 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H](C)N1CCc2ccccc21 ZINC000165399349 385388069 /nfs/dbraw/zinc/38/80/69/385388069.db2.gz PERMRTTZZPLEDM-WDEREUQCSA-N 0 3 247.342 0.901 20 0 BCADHN CN(C)CCNC(=O)c1cc(N(C)C)ccn1 ZINC000131309513 385324881 /nfs/dbraw/zinc/32/48/81/385324881.db2.gz UUTPABWJJRLNBC-UHFFFAOYSA-N 0 3 236.319 0.439 20 0 BCADHN CC[C@@H](C(N)=O)N1CCCOC(C)(C)C1 ZINC000308973553 385328293 /nfs/dbraw/zinc/32/82/93/385328293.db2.gz FXMMZZGUJROHGB-VIFPVBQESA-N 0 3 214.309 0.751 20 0 BCADHN O=C([C@@H]1CNCCC1(F)F)N1CCOCC1 ZINC000644043060 385393098 /nfs/dbraw/zinc/39/30/98/385393098.db2.gz RXLJFIYJSGKKEY-QMMMGPOBSA-N 0 3 234.246 0.090 20 0 BCADHN CC[C@H](N[C@@H]1COC[C@H]1O)[C@@H]1CCCO1 ZINC000309067775 385393189 /nfs/dbraw/zinc/39/31/89/385393189.db2.gz AHNRKBDOTJRJPC-ZDCRXTMVSA-N 0 3 215.293 0.293 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@H](N)CC(F)F ZINC000309057037 385394607 /nfs/dbraw/zinc/39/46/07/385394607.db2.gz TWSFTDQHQOMRSU-NKWVEPMBSA-N 0 3 224.251 0.246 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCC[C@H](C)OC ZINC000309060570 385395988 /nfs/dbraw/zinc/39/59/88/385395988.db2.gz WHOHAPGTXIXUAH-ZJUUUORDSA-N 0 3 237.365 0.824 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2NCC2(C)C)CCCO1 ZINC000644045822 385396061 /nfs/dbraw/zinc/39/60/61/385396061.db2.gz MMMKEYQHIHXQSI-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1cc(C)n(CCN2C[C@@H](O)C[C@H]2C)n1 ZINC000309058822 385396143 /nfs/dbraw/zinc/39/61/43/385396143.db2.gz GVUJYACVCQQKMB-PWSUYJOCSA-N 0 3 223.320 0.955 20 0 BCADHN COC[C@@H](C)NC(=O)[C@H]1CNCCC1(F)F ZINC000644052459 385398505 /nfs/dbraw/zinc/39/85/05/385398505.db2.gz PSXSAXAXNSBHDY-HTQZYQBOSA-N 0 3 236.262 0.382 20 0 BCADHN Cc1nnsc1CN[C@@H]1CN(C)C[C@H]1C ZINC000309107023 385425436 /nfs/dbraw/zinc/42/54/36/385425436.db2.gz IHRKHHNVHLNJAX-VXNVDRBHSA-N 0 3 226.349 0.886 20 0 BCADHN C[C@@H](CO)N[C@H]1CCCc2nn(C)cc21 ZINC000309073065 385403277 /nfs/dbraw/zinc/40/32/77/385403277.db2.gz GZRNNDQOPJFTKO-WPRPVWTQSA-N 0 3 209.293 0.768 20 0 BCADHN C[C@@H](CO)N[C@@H]1CCCc2nn(C)cc21 ZINC000309073064 385403773 /nfs/dbraw/zinc/40/37/73/385403773.db2.gz GZRNNDQOPJFTKO-WCBMZHEXSA-N 0 3 209.293 0.768 20 0 BCADHN CC[C@H](CCO)NCc1c(C)cnn1C ZINC000309097166 385407888 /nfs/dbraw/zinc/40/78/88/385407888.db2.gz FJTZLINRKRXYEI-SNVBAGLBSA-N 0 3 211.309 0.979 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H]2OCCC[C@H]2C1 ZINC000372037832 385408136 /nfs/dbraw/zinc/40/81/36/385408136.db2.gz QSFLXHTWUJVIQQ-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1cnc(CCN[C@H]2CCOC2)nc1 ZINC000309093559 385414220 /nfs/dbraw/zinc/41/42/20/385414220.db2.gz CZOOIIVKTVXZCL-JTQLQIEISA-N 0 3 207.277 0.706 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000178751446 385417178 /nfs/dbraw/zinc/41/71/78/385417178.db2.gz DSWHREJFFNOXQA-SECBINFHSA-N 0 3 245.286 0.612 20 0 BCADHN CCN(C)C(=O)CN1C[C@@H](C(N)=O)CC[C@H]1C ZINC000408060992 385419725 /nfs/dbraw/zinc/41/97/25/385419725.db2.gz KJHZMJXTXQGESG-ZJUUUORDSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@H](NCCOCCO)c1ccccn1 ZINC000020198683 385422148 /nfs/dbraw/zinc/42/21/48/385422148.db2.gz RNIJLIWOCWGQPL-JTQLQIEISA-N 0 3 210.277 0.741 20 0 BCADHN C=Cn1cc(CN2CC[C@@](C)(O)C2)cn1 ZINC000194049342 385423360 /nfs/dbraw/zinc/42/33/60/385423360.db2.gz IBTXGKGPOVNJDF-LLVKDONJSA-N 0 3 207.277 0.940 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cn(C)cn2)CN1C1CC1 ZINC000179074652 385439999 /nfs/dbraw/zinc/43/99/99/385439999.db2.gz UAZDSNJQJOCWLV-ZJUUUORDSA-N 0 3 248.330 0.775 20 0 BCADHN C[C@@H](Cn1cccn1)NCC1OCCO1 ZINC000272362618 385440166 /nfs/dbraw/zinc/44/01/66/385440166.db2.gz YUJNSCVWHAZVEK-VIFPVBQESA-N 0 3 211.265 0.234 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C[C@@H]1CCCO1 ZINC000170692587 385440226 /nfs/dbraw/zinc/44/02/26/385440226.db2.gz AYKGIZUBNNVFRE-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@@H](C)[N@H+](C)CCNC(=O)c1c[n-]nn1 ZINC000170745945 385441983 /nfs/dbraw/zinc/44/19/83/385441983.db2.gz OPAQBXVDURYVHP-MRVPVSSYSA-N 0 3 225.296 0.265 20 0 BCADHN CC[C@@H](C)[N@@H+](C)CCNC(=O)c1c[n-]nn1 ZINC000170745945 385441986 /nfs/dbraw/zinc/44/19/86/385441986.db2.gz OPAQBXVDURYVHP-MRVPVSSYSA-N 0 3 225.296 0.265 20 0 BCADHN CC[C@@H](C)[N@H+](C)CCNC(=O)c1cnn[n-]1 ZINC000170745945 385441989 /nfs/dbraw/zinc/44/19/89/385441989.db2.gz OPAQBXVDURYVHP-MRVPVSSYSA-N 0 3 225.296 0.265 20 0 BCADHN CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cnn[n-]1 ZINC000170745945 385441991 /nfs/dbraw/zinc/44/19/91/385441991.db2.gz OPAQBXVDURYVHP-MRVPVSSYSA-N 0 3 225.296 0.265 20 0 BCADHN CC[C@@H](C)[N@H+](C)CCNC(=O)c1cn[n-]n1 ZINC000170745945 385441996 /nfs/dbraw/zinc/44/19/96/385441996.db2.gz OPAQBXVDURYVHP-MRVPVSSYSA-N 0 3 225.296 0.265 20 0 BCADHN CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cn[n-]n1 ZINC000170745945 385441998 /nfs/dbraw/zinc/44/19/98/385441998.db2.gz OPAQBXVDURYVHP-MRVPVSSYSA-N 0 3 225.296 0.265 20 0 BCADHN Cc1n[nH]cc1C(=O)NC1(CN(C)C)CCC1 ZINC000281639091 385442627 /nfs/dbraw/zinc/44/26/27/385442627.db2.gz HFMIAUXYWQODMS-UHFFFAOYSA-N 0 3 236.319 0.932 20 0 BCADHN COc1ccccc1[C@H](N)CNC(=O)C1(N)CC1 ZINC000644092405 385445089 /nfs/dbraw/zinc/44/50/89/385445089.db2.gz MXDWVFLGTZCOFB-SNVBAGLBSA-N 0 3 249.314 0.303 20 0 BCADHN CN[C@H](C)C(=O)N(C)C1CCOCC1 ZINC000054072571 385447640 /nfs/dbraw/zinc/44/76/40/385447640.db2.gz HOHJOTCKFMZIKF-MRVPVSSYSA-N 0 3 200.282 0.232 20 0 BCADHN Cc1ccn2ncc(C(=O)NCCN(C)C)c2n1 ZINC000170811279 385448136 /nfs/dbraw/zinc/44/81/36/385448136.db2.gz OOHOGZYIRKRUPU-UHFFFAOYSA-N 0 3 247.302 0.329 20 0 BCADHN C[C@H](O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000194951671 385452461 /nfs/dbraw/zinc/45/24/61/385452461.db2.gz MYFBFTOUOOXXRY-UWVGGRQHSA-N 0 3 209.293 0.590 20 0 BCADHN CO[C@@H]1CCCN(CCn2ccnc2)C1 ZINC000179243468 385454680 /nfs/dbraw/zinc/45/46/80/385454680.db2.gz POGHWGWQRRWFAN-LLVKDONJSA-N 0 3 209.293 0.994 20 0 BCADHN Cc1nnc(CN[C@@H](C)[C@H]2CCOC2)[nH]1 ZINC000309121569 385427583 /nfs/dbraw/zinc/42/75/83/385427583.db2.gz OBNQOBWTZGESPH-CBAPKCEASA-N 0 3 210.281 0.628 20 0 BCADHN CCN(C)CCNC(=O)C(=O)c1ccccc1 ZINC000194307165 385428924 /nfs/dbraw/zinc/42/89/24/385428924.db2.gz DKXDXTWYAUOMSF-UHFFFAOYSA-N 0 3 234.299 0.937 20 0 BCADHN CC[C@H](CO)N1CCN(C[C@H](C)OC)CC1 ZINC000182196861 385433505 /nfs/dbraw/zinc/43/35/05/385433505.db2.gz INSXSSRNORNWBL-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN C=Cn1cc(CNCC[C@@H](O)COC)cn1 ZINC000194404020 385433650 /nfs/dbraw/zinc/43/36/50/385433650.db2.gz CEDZRBLNEZABIR-LLVKDONJSA-N 0 3 225.292 0.471 20 0 BCADHN CO[C@H](C)CN1CCC(NC(N)=O)CC1 ZINC000182220749 385434376 /nfs/dbraw/zinc/43/43/76/385434376.db2.gz RXJCKRBEMOWFGY-MRVPVSSYSA-N 0 3 215.297 0.154 20 0 BCADHN CC(C)n1cc(CNC[C@]2(O)CCOC2)cn1 ZINC000179021699 385434626 /nfs/dbraw/zinc/43/46/26/385434626.db2.gz KXMUWIOBOLNJKW-GFCCVEGCSA-N 0 3 239.319 0.705 20 0 BCADHN CN1CCC(NC(=O)NC[C@H](O)C2CC2)CC1 ZINC000408061979 385436551 /nfs/dbraw/zinc/43/65/51/385436551.db2.gz MOPYOAARIRJRHM-NSHDSACASA-N 0 3 241.335 0.151 20 0 BCADHN CC(C)(C)OC[C@H](O)CN1C[C@@H](O)C2(CC2)C1 ZINC000364434190 385436718 /nfs/dbraw/zinc/43/67/18/385436718.db2.gz LPMJMUYDJGPGDG-GHMZBOCLSA-N 0 3 243.347 0.619 20 0 BCADHN Cn1nnc2cc(CN3CC[C@H](O)C3)ccc21 ZINC000408062178 385437937 /nfs/dbraw/zinc/43/79/37/385437937.db2.gz NYWOPAUVMVISAQ-JTQLQIEISA-N 0 3 232.287 0.535 20 0 BCADHN C[C@H](NCCCC(=O)N(C)C)c1nccn1C ZINC000182661233 385467172 /nfs/dbraw/zinc/46/71/72/385467172.db2.gz GGNVEYOELRFSRA-JTQLQIEISA-N 0 3 238.335 0.939 20 0 BCADHN O=C(Nc1cnc2c(c1)CNCC2)c1cocn1 ZINC000644102391 385472348 /nfs/dbraw/zinc/47/23/48/385472348.db2.gz IOQYURLKYFSJCB-UHFFFAOYSA-N 0 3 244.254 0.968 20 0 BCADHN c1c(-c2ccccc2)nnn1C[C@@H]1CNCCO1 ZINC000166175564 385476380 /nfs/dbraw/zinc/47/63/80/385476380.db2.gz NRMNEBCFLRSJLQ-LBPRGKRZSA-N 0 3 244.298 0.934 20 0 BCADHN O=C(CN1CCNCC1)NCCCC1CC1 ZINC000157056419 385483537 /nfs/dbraw/zinc/48/35/37/385483537.db2.gz QZWQVCXZQDCEID-UHFFFAOYSA-N 0 3 225.336 0.198 20 0 BCADHN CC(C)n1cc(CN[C@H](C)CN(C)C)nn1 ZINC000309215248 385484077 /nfs/dbraw/zinc/48/40/77/385484077.db2.gz PBPLUMKSCYRHLK-SNVBAGLBSA-N 0 3 225.340 0.899 20 0 BCADHN COCc1ccc(CN2CC[C@H](C(N)=O)C2)o1 ZINC000157082028 385486097 /nfs/dbraw/zinc/48/60/97/385486097.db2.gz CWZQDYZHSKOQTI-VIFPVBQESA-N 0 3 238.287 0.733 20 0 BCADHN C[C@H](N)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000156606379 385460999 /nfs/dbraw/zinc/46/09/99/385460999.db2.gz UPCICLRNEMPBQQ-ONGXEEELSA-N 0 3 247.298 0.033 20 0 BCADHN Cn1cnc(C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000179343013 385461366 /nfs/dbraw/zinc/46/13/66/385461366.db2.gz UNGQIPOCDIBNGE-JTQLQIEISA-N 0 3 234.303 0.340 20 0 BCADHN CCCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000110484707 385493394 /nfs/dbraw/zinc/49/33/94/385493394.db2.gz JLOZMPGDGWAFME-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H](N)C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000157270870 385493782 /nfs/dbraw/zinc/49/37/82/385493782.db2.gz MCLYKUBYKRUNHX-YFKPBYRVSA-N 0 3 239.300 0.948 20 0 BCADHN CCCCN(CCOC)[C@H](C)C(N)=O ZINC000106312719 385504923 /nfs/dbraw/zinc/50/49/23/385504923.db2.gz LPGUNSRTJWWBBO-SECBINFHSA-N 0 3 202.298 0.609 20 0 BCADHN COC[C@H](O)CCNCc1n[nH]cc1C ZINC000289450287 385505720 /nfs/dbraw/zinc/50/57/20/385505720.db2.gz GWZOENDJQWKQTJ-SECBINFHSA-N 0 3 213.281 0.205 20 0 BCADHN COC[C@@H](O)CCNCc1n[nH]cc1C ZINC000289450288 385506098 /nfs/dbraw/zinc/50/60/98/385506098.db2.gz GWZOENDJQWKQTJ-VIFPVBQESA-N 0 3 213.281 0.205 20 0 BCADHN Cc1c[nH]nc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644811038 385509146 /nfs/dbraw/zinc/50/91/46/385509146.db2.gz XNMCZIKUUOTYJJ-ZJUUUORDSA-N 0 3 234.303 0.494 20 0 BCADHN Cc1c[nH]nc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644811035 385509297 /nfs/dbraw/zinc/50/92/97/385509297.db2.gz XNMCZIKUUOTYJJ-UWVGGRQHSA-N 0 3 234.303 0.494 20 0 BCADHN CC[C@H](NC(=O)[C@H](N)CC(F)F)C(=O)OC ZINC000309279906 385509424 /nfs/dbraw/zinc/50/94/24/385509424.db2.gz HPWPOCMCYKQASW-RITPCOANSA-N 0 3 238.234 0.037 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cocn3)[C@@H]2C1 ZINC000644811200 385512684 /nfs/dbraw/zinc/51/26/84/385512684.db2.gz AQNFQDHELYMYHU-PSASIEDQSA-N 0 3 221.260 0.451 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@H]21)n1cncn1 ZINC000644811754 385518218 /nfs/dbraw/zinc/51/82/18/385518218.db2.gz CAMGCCHISSRRDC-GMTAPVOTSA-N 0 3 249.318 0.002 20 0 BCADHN CCCN(C)CC(=O)NCC(C)(C)C(=O)NC ZINC000448420183 385515020 /nfs/dbraw/zinc/51/50/20/385515020.db2.gz BMWFEWCVQJPZKA-UHFFFAOYSA-N 0 3 243.351 0.217 20 0 BCADHN COC[C@@H](C)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000364783837 385516777 /nfs/dbraw/zinc/51/67/77/385516777.db2.gz HWGADMBQUNNWNN-KOLCDFICSA-N 0 3 228.292 0.596 20 0 BCADHN O=C(COC1CCCC1)NC[C@@H]1C[C@H](F)CN1 ZINC000644143243 385530092 /nfs/dbraw/zinc/53/00/92/385530092.db2.gz FPRRAMJPDAMWBC-UWVGGRQHSA-N 0 3 244.310 0.762 20 0 BCADHN O=C(CCOCC1CC1)NC[C@@H]1C[C@H](F)CN1 ZINC000644143450 385531731 /nfs/dbraw/zinc/53/17/31/385531731.db2.gz NWBODIPBHCRBGL-QWRGUYRKSA-N 0 3 244.310 0.619 20 0 BCADHN COC[C@@H]1CN(CC2CCOCC2)CCO1 ZINC000172883371 385538254 /nfs/dbraw/zinc/53/82/54/385538254.db2.gz STNPXBOJPQLJAD-LBPRGKRZSA-N 0 3 229.320 0.760 20 0 BCADHN CC[C@@](C)(CN[C@]1(CO)CCOC1)OC ZINC000319043956 385540280 /nfs/dbraw/zinc/54/02/80/385540280.db2.gz LPWXSGLYECTUMJ-QWRGUYRKSA-N 0 3 217.309 0.543 20 0 BCADHN N[C@H](CC(F)F)C(=O)NC[C@H]1CCC[C@H]1O ZINC000309346722 385545800 /nfs/dbraw/zinc/54/58/00/385545800.db2.gz WQEFFUVPOLQNIQ-BWZBUEFSSA-N 0 3 236.262 0.246 20 0 BCADHN N[C@H](CC(F)F)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000309346723 385546471 /nfs/dbraw/zinc/54/64/71/385546471.db2.gz WQEFFUVPOLQNIQ-PRJMDXOYSA-N 0 3 236.262 0.246 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3c[nH]cn3)[C@@H]2C1 ZINC000644813938 385546968 /nfs/dbraw/zinc/54/69/68/385546968.db2.gz HGBZHIYEIZFEOI-PSASIEDQSA-N 0 3 220.276 0.186 20 0 BCADHN CCOCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000364957809 385547663 /nfs/dbraw/zinc/54/76/63/385547663.db2.gz VZTBIXVBMIARSB-DCAQKATOSA-N 0 3 226.320 0.609 20 0 BCADHN CCN(C)C(=O)CN[C@H](COC)C1CC1 ZINC000183479745 385548164 /nfs/dbraw/zinc/54/81/64/385548164.db2.gz ZHWFSLUIFGDFLR-SNVBAGLBSA-N 0 3 214.309 0.479 20 0 BCADHN CCN(C)CCNC(=O)c1cnc(C)nc1C ZINC000180399308 385521883 /nfs/dbraw/zinc/52/18/83/385521883.db2.gz FKVQQEXPYUEFJS-UHFFFAOYSA-N 0 3 236.319 0.775 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cocn1 ZINC000644142118 385526558 /nfs/dbraw/zinc/52/65/58/385526558.db2.gz BBKMFLXHMUVOJV-BQBZGAKWSA-N 0 3 213.212 0.104 20 0 BCADHN COCC1(C(=O)NC[C@@H]2C[C@H](F)CN2)CCC1 ZINC000644142388 385526862 /nfs/dbraw/zinc/52/68/62/385526862.db2.gz QTXSCBZPQXJPIR-UWVGGRQHSA-N 0 3 244.310 0.619 20 0 BCADHN CC(C)OCCN1CCC[C@@H](OCCO)C1 ZINC000172296078 385528034 /nfs/dbraw/zinc/52/80/34/385528034.db2.gz QBTXTLBLLGYZQU-GFCCVEGCSA-N 0 3 231.336 0.885 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000644152416 385549929 /nfs/dbraw/zinc/54/99/29/385549929.db2.gz IJAYUWAMOQYTNW-HBNTYKKESA-N 0 3 242.319 0.034 20 0 BCADHN C[C@@H]1[C@@H](N[C@H]2CCN(C)C2=O)CCCN1C ZINC000309366299 385550294 /nfs/dbraw/zinc/55/02/94/385550294.db2.gz BFUUBSOOYGMFJB-VWYCJHECSA-N 0 3 225.336 0.289 20 0 BCADHN CN(Cc1nccn1C)C(=O)[C@@H]1NCC1(C)C ZINC000644153419 385553678 /nfs/dbraw/zinc/55/36/78/385553678.db2.gz SVDMTYRYDFVRQE-JTQLQIEISA-N 0 3 236.319 0.377 20 0 BCADHN C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(C)C[C@H]32)O1 ZINC000644814145 385553911 /nfs/dbraw/zinc/55/39/11/385553911.db2.gz IARUXJGZJITLIN-WRWGMCAJSA-N 0 3 238.331 0.716 20 0 BCADHN CC(C)COCCN[C@H]1C(=O)NCC[C@@H]1C ZINC000309370043 385554573 /nfs/dbraw/zinc/55/45/73/385554573.db2.gz QHWLAECXCWJLAH-WDEREUQCSA-N 0 3 228.336 0.773 20 0 BCADHN COC[C@H](N[C@H]1CCCOC1)[C@@H]1CCCO1 ZINC000309379860 385558170 /nfs/dbraw/zinc/55/81/70/385558170.db2.gz AEEAEFGLMUOLPZ-SRVKXCTJSA-N 0 3 229.320 0.949 20 0 BCADHN CN(CC(=O)NCC1CC1)C[C@H]1CCCOC1 ZINC000107688519 385576633 /nfs/dbraw/zinc/57/66/33/385576633.db2.gz RRRJFNLTSOSQCG-GFCCVEGCSA-N 0 3 240.347 0.871 20 0 BCADHN C[C@H](C1CC1)N(CCNS(C)(=O)=O)C1CC1 ZINC000107298637 385563031 /nfs/dbraw/zinc/56/30/31/385563031.db2.gz COWBZJAXRCPVIS-SECBINFHSA-N 0 3 246.376 0.799 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644815162 385563787 /nfs/dbraw/zinc/56/37/87/385563787.db2.gz OTGSWPALSTYCBD-CHWFTXMASA-N 0 3 208.305 0.805 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644815179 385564726 /nfs/dbraw/zinc/56/47/26/385564726.db2.gz OTGSWPALSTYCBD-ZRUFSTJUSA-N 0 3 208.305 0.805 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@@H]21)n1cccn1 ZINC000644815622 385570420 /nfs/dbraw/zinc/57/04/20/385570420.db2.gz RACSGSLKURUJHV-UTUOFQBUSA-N 0 3 248.330 0.607 20 0 BCADHN CCC[C@H](C)CN1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408152152 385573860 /nfs/dbraw/zinc/57/38/60/385573860.db2.gz WLKKBIMIJIJRQB-VHSXEESVSA-N 0 3 239.319 0.659 20 0 BCADHN C[C@H](CSc1nnnn1C)N(C)C ZINC000336650542 385606878 /nfs/dbraw/zinc/60/68/78/385606878.db2.gz IMVLCIGDYUEJEE-ZCFIWIBFSA-N 0 3 201.299 0.252 20 0 BCADHN COC[C@H]1CCCCN1C[C@H]1CN(C)C(=O)O1 ZINC000495969836 533130491 /nfs/dbraw/zinc/13/04/91/533130491.db2.gz NXGDNNNWPBOPSM-GHMZBOCLSA-N 0 3 242.319 0.938 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H]1CCCCO1 ZINC000054076697 385594691 /nfs/dbraw/zinc/59/46/91/385594691.db2.gz DJBAZFCWTTUVAN-DTWKUNHWSA-N 0 3 200.282 0.280 20 0 BCADHN CCO[C@H]1C[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000309465321 385595170 /nfs/dbraw/zinc/59/51/70/385595170.db2.gz PDHRYCBAVVWMJE-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN CCO[C@H]1C[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000309465319 385595663 /nfs/dbraw/zinc/59/56/63/385595663.db2.gz PDHRYCBAVVWMJE-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)c1cnn(C)c1C ZINC000054072715 385596116 /nfs/dbraw/zinc/59/61/16/385596116.db2.gz VYQGWLCBQYHBON-YUMQZZPRSA-N 0 3 224.308 0.514 20 0 BCADHN CC[C@H]1COCCN1C(=O)[C@H](C)NC ZINC000054072579 385596183 /nfs/dbraw/zinc/59/61/83/385596183.db2.gz ZDWHPPNLZPCMAW-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@@H]1C[C@@H](N(C)C(=O)c2nc[nH]n2)CCN1C ZINC000408168838 385597772 /nfs/dbraw/zinc/59/77/72/385597772.db2.gz MHVIEWLLPFRCRD-BDAKNGLRSA-N 0 3 237.307 0.359 20 0 BCADHN C[C@H](NC[C@@H](O)C(F)F)[C@@H]1CCCO1 ZINC000336675994 385599601 /nfs/dbraw/zinc/59/96/01/385599601.db2.gz BZJHABYVHYGVQS-RNJXMRFFSA-N 0 3 209.236 0.770 20 0 BCADHN CO[C@H](C)CCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644816918 385599607 /nfs/dbraw/zinc/59/96/07/385599607.db2.gz XWKOKDIOKWGDHD-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(CC)CC(=O)N(CCOC)CCOC ZINC000337332995 385601568 /nfs/dbraw/zinc/60/15/68/385601568.db2.gz IXYQROAVAZEAHI-UHFFFAOYSA-N 0 3 246.351 0.450 20 0 BCADHN Cc1cccnc1C(=O)N[C@@H](CO)CN(C)C ZINC000647710513 385604687 /nfs/dbraw/zinc/60/46/87/385604687.db2.gz DBDVJSKZLRZCDT-SNVBAGLBSA-N 0 3 237.303 0.042 20 0 BCADHN C[C@@H](NC[C@H]1CCCO1)c1ccc(=O)[nH]n1 ZINC000309427971 385578037 /nfs/dbraw/zinc/57/80/37/385578037.db2.gz KPHBKWUJETXEHZ-RKDXNWHRSA-N 0 3 223.276 0.600 20 0 BCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)CC[NH3+] ZINC000309427122 385579005 /nfs/dbraw/zinc/57/90/05/385579005.db2.gz IVJRTPIGNKETMX-ZCFIWIBFSA-N 0 3 247.320 0.307 20 0 BCADHN CS(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000107708676 385581295 /nfs/dbraw/zinc/58/12/95/385581295.db2.gz DRQYSJGGSXYPKC-NSHDSACASA-N 0 3 246.376 0.896 20 0 BCADHN CN(C[C@H]1CCCO1)C(=O)[C@@H](N)CC(F)F ZINC000336676883 385606902 /nfs/dbraw/zinc/60/69/02/385606902.db2.gz VSAZJXSPFJNPRV-SFYZADRCSA-N 0 3 236.262 0.606 20 0 BCADHN c1cnn([C@H]2CCCN(CCn3cncn3)C2)c1 ZINC000365121416 385605635 /nfs/dbraw/zinc/60/56/35/385605635.db2.gz QCMKSRWRVWZBBS-LBPRGKRZSA-N 0 3 246.318 0.812 20 0 BCADHN CCOC(=O)[C@H](C)N(C)CCN1CCCC1 ZINC000063052304 385586856 /nfs/dbraw/zinc/58/68/56/385586856.db2.gz RJFSXRVSUGBQHH-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CN(C)[C@H]1CCCN(S(=O)(=O)NC2CC2)C1 ZINC000408194763 385588039 /nfs/dbraw/zinc/58/80/39/385588039.db2.gz IZEAOWKZKWCGBL-JTQLQIEISA-N 0 3 247.364 0.009 20 0 BCADHN CC(C)[C@H](O)CN[C@H]1C(=O)NCC[C@@H]1C ZINC000336649220 385589293 /nfs/dbraw/zinc/58/92/93/385589293.db2.gz FYXAGNPJYCWUEK-IVZWLZJFSA-N 0 3 214.309 0.118 20 0 BCADHN CC[C@@H](C)N(CCO)C[C@H]1CN(C)C(=O)O1 ZINC000495593907 385620676 /nfs/dbraw/zinc/62/06/76/385620676.db2.gz LMQIBQLBQABKHD-NXEZZACHSA-N 0 3 230.308 0.530 20 0 BCADHN C[C@H](NCC1([S@](C)=O)CC1)c1ccnn1C ZINC000336679279 385621781 /nfs/dbraw/zinc/62/17/81/385621781.db2.gz AHLLEXJULZMADK-FVMDXXJSSA-N 0 3 241.360 0.982 20 0 BCADHN C[C@@H](CNC(=O)NCCO)N1CCCC[C@H]1C ZINC000337379531 385622202 /nfs/dbraw/zinc/62/22/02/385622202.db2.gz UEHDNDUIECGFGO-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN CN(C)CCNC(=O)c1nccn2ccnc12 ZINC000269679148 385623395 /nfs/dbraw/zinc/62/33/95/385623395.db2.gz FBMPOBQZUDQXRC-UHFFFAOYSA-N 0 3 233.275 0.021 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCC([C@H](C)O)CC1 ZINC000408199900 385624525 /nfs/dbraw/zinc/62/45/25/385624525.db2.gz XTFCLALKIJMZIP-CABZTGNLSA-N 0 3 229.320 0.419 20 0 BCADHN CCN(C)CCNC(=O)COC(C)C ZINC000066948923 385625150 /nfs/dbraw/zinc/62/51/50/385625150.db2.gz ZVTPTZTWKWQMGK-UHFFFAOYSA-N 0 3 202.298 0.479 20 0 BCADHN CN(C)CC1(NC(=O)c2cc[n+]([O-])cc2)CCC1 ZINC000281054748 385629276 /nfs/dbraw/zinc/62/92/76/385629276.db2.gz KSIZDJJMVDHCPU-UHFFFAOYSA-N 0 3 249.314 0.534 20 0 BCADHN Cc1nocc1CNCCCC(=O)N(C)C ZINC000293524975 385629669 /nfs/dbraw/zinc/62/96/69/385629669.db2.gz IYIRERVTOVSGLV-UHFFFAOYSA-N 0 3 225.292 0.941 20 0 BCADHN Cn1nccc1CNCC1(CO)CCC1 ZINC000184360536 385631629 /nfs/dbraw/zinc/63/16/29/385631629.db2.gz KTIHRXNUMQOWPS-UHFFFAOYSA-N 0 3 209.293 0.672 20 0 BCADHN CCCS(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000066105771 385632947 /nfs/dbraw/zinc/63/29/47/385632947.db2.gz OYLGSHXKHMXALG-NSHDSACASA-N 0 3 246.376 0.896 20 0 BCADHN CO[C@@H](C)CN1CCC(CC(N)=O)CC1 ZINC000182065009 385633889 /nfs/dbraw/zinc/63/38/89/385633889.db2.gz VEANAOYBTZQHBM-VIFPVBQESA-N 0 3 214.309 0.609 20 0 BCADHN C[C@@H](N[C@@H](C)Cn1cccn1)C(=O)NCCF ZINC000337398259 385633974 /nfs/dbraw/zinc/63/39/74/385633974.db2.gz CJZJSEJSRFOOEP-VHSXEESVSA-N 0 3 242.298 0.335 20 0 BCADHN O=C1NCC[C@H]1N1CCC(CCCO)CC1 ZINC000408174258 385608265 /nfs/dbraw/zinc/60/82/65/385608265.db2.gz HYRJDHGGQLLVTL-LLVKDONJSA-N 0 3 226.320 0.359 20 0 BCADHN CCOC[C@@H](C)N[C@@H](CCSC)C(=O)NC ZINC000309476415 385608418 /nfs/dbraw/zinc/60/84/18/385608418.db2.gz RWABFRUQPIIDCC-ZJUUUORDSA-N 0 3 248.392 0.869 20 0 BCADHN COC[C@H]1CCCN(C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496808904 533135224 /nfs/dbraw/zinc/13/52/24/533135224.db2.gz KOCZKNTVZJECOI-QWRGUYRKSA-N 0 3 242.319 0.795 20 0 BCADHN CCOC[C@@H](O)CN(C)C[C@H](C)OC ZINC000336650296 385611873 /nfs/dbraw/zinc/61/18/73/385611873.db2.gz AOHIZYMUKBIOOT-UWVGGRQHSA-N 0 3 205.298 0.351 20 0 BCADHN CO[C@H](C)CCC(=O)NC[C@](C)(O)CN(C)C ZINC000184121975 385613212 /nfs/dbraw/zinc/61/32/12/385613212.db2.gz LYOCFXWWSNRFQD-PWSUYJOCSA-N 0 3 246.351 0.230 20 0 BCADHN CCO[C@H](C)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644824738 385664160 /nfs/dbraw/zinc/66/41/60/385664160.db2.gz ZHGWWPUWXVQWJL-MXWKQRLJSA-N 0 3 226.320 0.574 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)no1 ZINC000644824675 385664452 /nfs/dbraw/zinc/66/44/52/385664452.db2.gz YSEFLWHAZBGNLO-MWLCHTKSSA-N 0 3 235.287 0.759 20 0 BCADHN CC[C@H](C)OCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644824669 385664840 /nfs/dbraw/zinc/66/48/40/385664840.db2.gz YNMDVQHDKNUUQI-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN CN(CCN1CCCC1)C[C@H](O)C(F)(F)F ZINC000082680329 385638039 /nfs/dbraw/zinc/63/80/39/385638039.db2.gz URMIZIXRAOVLKP-VIFPVBQESA-N 0 3 240.269 0.937 20 0 BCADHN CN(C)CC1(NC(=O)c2cncnc2)CCC1 ZINC000281139067 385638685 /nfs/dbraw/zinc/63/86/85/385638685.db2.gz VAEMGZIGFYCGCF-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN COCCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644821890 385639310 /nfs/dbraw/zinc/63/93/10/385639310.db2.gz MNNSPNIJWHNPGQ-UWVGGRQHSA-N 0 3 212.293 0.185 20 0 BCADHN C[C@H](NC(=O)NC[C@@](C)(O)CN(C)C)C1CC1 ZINC000337386611 385639874 /nfs/dbraw/zinc/63/98/74/385639874.db2.gz IGLWESLZTSJVLS-JOYOIKCWSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H](CO)N1CCCN(Cc2ccon2)CC1 ZINC000368964971 385640197 /nfs/dbraw/zinc/64/01/97/385640197.db2.gz IIKQKVSMLGJWFH-NSHDSACASA-N 0 3 239.319 0.563 20 0 BCADHN CCCOCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644822281 385643741 /nfs/dbraw/zinc/64/37/41/385643741.db2.gz QRYQGUYUDBWOHK-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)C3CCOCC3)[C@@H]2C1 ZINC000644822450 385645273 /nfs/dbraw/zinc/64/52/73/385645273.db2.gz SZVZSFWPEIHOMG-NWDGAFQWSA-N 0 3 238.331 0.576 20 0 BCADHN Cn1ccc(CC(=O)N2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000644822383 385645424 /nfs/dbraw/zinc/64/54/24/385645424.db2.gz KDHRIVSAGFGKIE-ZYHUDNBSSA-N 0 3 248.330 0.125 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000337418082 385645747 /nfs/dbraw/zinc/64/57/47/385645747.db2.gz SLLYIOMEUFUXPE-NWDGAFQWSA-N 0 3 241.379 0.927 20 0 BCADHN CCN(C(=O)[C@H](N)CC(F)F)C1CC1 ZINC000336683535 385647567 /nfs/dbraw/zinc/64/75/67/385647567.db2.gz JBRNGVZLGJNIJP-SSDOTTSWSA-N 0 3 206.236 0.980 20 0 BCADHN COC(=O)C[C@@]1(NC[C@@H](C)OC)CCOC1 ZINC000309528417 385665471 /nfs/dbraw/zinc/66/54/71/385665471.db2.gz CYSXKWCWRZZLRD-KOLCDFICSA-N 0 3 231.292 0.333 20 0 BCADHN CCN(CC)CC(=O)NC(C)(C)CCO ZINC000337401535 385648833 /nfs/dbraw/zinc/64/88/33/385648833.db2.gz KVVWJGWJTQSMLL-UHFFFAOYSA-N 0 3 216.325 0.605 20 0 BCADHN C/C=C(\C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000269943010 385649887 /nfs/dbraw/zinc/64/98/87/385649887.db2.gz UHJVIMLTDZXZSH-OALRPVAKSA-N 0 3 214.309 0.381 20 0 BCADHN COC(=O)CC1(NCc2cnn(C)c2C)CC1 ZINC000521442999 385652295 /nfs/dbraw/zinc/65/22/95/385652295.db2.gz ZUFZLKBUWGBXRB-UHFFFAOYSA-N 0 3 237.303 0.914 20 0 BCADHN CN(C)CCSCCn1cncn1 ZINC000336652431 385652704 /nfs/dbraw/zinc/65/27/04/385652704.db2.gz LCLBBMADAAWHAG-UHFFFAOYSA-N 0 3 200.311 0.573 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)N(C)C ZINC000269955708 385652685 /nfs/dbraw/zinc/65/26/85/385652685.db2.gz PNMLSRANQDIBMH-AXFHLTTASA-N 0 3 226.320 0.380 20 0 BCADHN c1cc(-c2cnc(N3CCNCC3)nc2)ccn1 ZINC000259117584 385653039 /nfs/dbraw/zinc/65/30/39/385653039.db2.gz BUMWRKVPBMRTRY-UHFFFAOYSA-N 0 3 241.298 0.948 20 0 BCADHN Cn1cc(CC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cn1 ZINC000644823779 385653092 /nfs/dbraw/zinc/65/30/92/385653092.db2.gz PFYJIUDKQHKUPX-NEPJUHHUSA-N 0 3 248.330 0.125 20 0 BCADHN CCN(CCOCCO)C[C@@H](O)CSC ZINC000337425175 385655193 /nfs/dbraw/zinc/65/51/93/385655193.db2.gz AAFZZKGFTLQAOE-SNVBAGLBSA-N 0 3 237.365 0.041 20 0 BCADHN CCN(CC)CC(=O)NCC[C@@H]1CCOC1 ZINC000337423706 385655441 /nfs/dbraw/zinc/65/54/41/385655441.db2.gz VRTGNNSOJXTBGL-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CCN(CCOCCO)C[C@H](O)CSC ZINC000337425168 385656223 /nfs/dbraw/zinc/65/62/23/385656223.db2.gz AAFZZKGFTLQAOE-JTQLQIEISA-N 0 3 237.365 0.041 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Cc3ccoc3)[C@@H]2C1 ZINC000644818464 385656603 /nfs/dbraw/zinc/65/66/03/385656603.db2.gz NKTVQWPFZOSIQS-VXGBXAGGSA-N 0 3 234.299 0.985 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccnn3C)[C@@H]2C1 ZINC000644818372 385656772 /nfs/dbraw/zinc/65/67/72/385656772.db2.gz LUSBWYRSBCADKW-MWLCHTKSSA-N 0 3 234.303 0.196 20 0 BCADHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)N(C)C)C1(C)C ZINC000309521869 385659492 /nfs/dbraw/zinc/65/94/92/385659492.db2.gz CEGUIQAXSGRCEI-INTQDDNPSA-N 0 3 228.336 0.724 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000337437049 385661062 /nfs/dbraw/zinc/66/10/62/385661062.db2.gz BKJLZSIHYAIEGA-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN COC(C)(C)CNC(=O)C(N)C(F)(F)F ZINC000336734287 385661784 /nfs/dbraw/zinc/66/17/84/385661784.db2.gz HEUASNBHWJFYKH-RXMQYKEDSA-N 0 3 228.214 0.417 20 0 BCADHN CCO[C@H](C)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644824739 385663608 /nfs/dbraw/zinc/66/36/08/385663608.db2.gz ZHGWWPUWXVQWJL-OUAUKWLOSA-N 0 3 226.320 0.574 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](C)N)c1c(C)nn(C)c1C ZINC000119395066 385673154 /nfs/dbraw/zinc/67/31/54/385673154.db2.gz SMYMEAIZLWQGHM-GMSGAONNSA-N 0 3 238.335 0.951 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccc(F)cn1 ZINC000182523927 385678784 /nfs/dbraw/zinc/67/87/84/385678784.db2.gz VEZNKBJFGVXWJA-UHFFFAOYSA-N 0 3 225.267 0.854 20 0 BCADHN COC1(C)CN(C(=O)CC2CCN(C)CC2)C1 ZINC000336531016 385679573 /nfs/dbraw/zinc/67/95/73/385679573.db2.gz KHYINGJVMKGNSJ-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(CCNC(=O)N1CC(CO)C1)C1CC1 ZINC000188271639 385680609 /nfs/dbraw/zinc/68/06/09/385680609.db2.gz BTSOUHQRCIURAX-UHFFFAOYSA-N 0 3 241.335 0.104 20 0 BCADHN CCc1nc(CNC2(CO)CCCC2)n[nH]1 ZINC000184604310 385681923 /nfs/dbraw/zinc/68/19/23/385681923.db2.gz ZBEJVKDITUMRRF-UHFFFAOYSA-N 0 3 224.308 0.762 20 0 BCADHN CCN(CC)CC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000337484267 385682125 /nfs/dbraw/zinc/68/21/25/385682125.db2.gz YEMVPCFEVCDOMB-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN CC(=O)[C@](C)(O)CN1CC[C@@H](C)[C@H](O)C1 ZINC000408455480 385682465 /nfs/dbraw/zinc/68/24/65/385682465.db2.gz DIBSXKAYFJDFHG-FBIMIBRVSA-N 0 3 215.293 0.029 20 0 BCADHN CCN(CC)CC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000337484268 385682680 /nfs/dbraw/zinc/68/26/80/385682680.db2.gz YEMVPCFEVCDOMB-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)c3cocn3)[C@@H]2C1 ZINC000644826636 385684194 /nfs/dbraw/zinc/68/41/94/385684194.db2.gz RWPKRSOAOZITCP-GXSJLCMTSA-N 0 3 235.287 0.841 20 0 BCADHN Cc1nnc(N2CCC[C@@H](N(C)C)C2)o1 ZINC000340025695 385684260 /nfs/dbraw/zinc/68/42/60/385684260.db2.gz SYPHCIMUNMKJGR-SECBINFHSA-N 0 3 210.281 0.908 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000337494444 385684453 /nfs/dbraw/zinc/68/44/53/385684453.db2.gz HQWUJLMIBIIMAT-HBNTYKKESA-N 0 3 228.336 0.868 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)c1cn[nH]c1 ZINC000270219469 385686731 /nfs/dbraw/zinc/68/67/31/385686731.db2.gz LICAKXLVCVFVQN-SECBINFHSA-N 0 3 224.308 0.929 20 0 BCADHN CCN(CCOCCO)[C@H]1CCOC1 ZINC000336685130 385687173 /nfs/dbraw/zinc/68/71/73/385687173.db2.gz KLSOSYRGWTULPO-JTQLQIEISA-N 0 3 203.282 0.106 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H](O)C12CCCC2 ZINC000335223653 385688769 /nfs/dbraw/zinc/68/87/69/385688769.db2.gz LAHPOWXCUGKTFJ-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](CO)[C@H](C)NC(=O)/C=C/CN(C)C ZINC000270336547 385697615 /nfs/dbraw/zinc/69/76/15/385697615.db2.gz TXFGMDKAYNFEFM-ROSGPLSXSA-N 0 3 214.309 0.237 20 0 BCADHN CCN(CC)CC(=O)NC1(C(=O)OC)CCC1 ZINC000337535168 385698205 /nfs/dbraw/zinc/69/82/05/385698205.db2.gz VMXLMSKCSVVSNI-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN COC1CCN(C(=O)[C@H]2NCC2(C)C)CC1 ZINC000645263036 385698845 /nfs/dbraw/zinc/69/88/45/385698845.db2.gz IXIJTFPJXMIKMK-SNVBAGLBSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](O)CN[C@]1(CO)CCOc2ccccc21 ZINC000281761475 385700088 /nfs/dbraw/zinc/70/00/88/385700088.db2.gz RRLTWYAZMOSNOP-MFKMUULPSA-N 0 3 237.299 0.627 20 0 BCADHN CCN(CC)CC(=O)NC[C@H]1CCCC(=O)N1 ZINC000337554476 385705922 /nfs/dbraw/zinc/70/59/22/385705922.db2.gz IOPXLBFBVXQIDQ-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H](OC)[C@@H](OC)C1 ZINC000337551908 385705965 /nfs/dbraw/zinc/70/59/65/385705965.db2.gz HBCVMCFGQRTRBF-QWRGUYRKSA-N 0 3 244.335 0.200 20 0 BCADHN O=C1CCN(Cc2c[nH]c3ncncc23)CCN1 ZINC000638033084 385706899 /nfs/dbraw/zinc/70/68/99/385706899.db2.gz YVAMJAFWNNXPMF-UHFFFAOYSA-N 0 3 245.286 0.231 20 0 BCADHN CCN(CC)CC(=O)N1CCOCC1(C)C ZINC000337552347 385706885 /nfs/dbraw/zinc/70/68/85/385706885.db2.gz HFGVYHHXINOXFE-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H](CNC(=O)c1ccnnc1)N(C)C ZINC000270439815 385707851 /nfs/dbraw/zinc/70/78/51/385707851.db2.gz NYTVFETXPUHMLS-QMMMGPOBSA-N 0 3 208.265 0.157 20 0 BCADHN CCN(CCn1ccnc1C)[C@H]1CCNC1=O ZINC000281863129 385710025 /nfs/dbraw/zinc/71/00/25/385710025.db2.gz APVLYKYKZHSQQO-NSHDSACASA-N 0 3 236.319 0.402 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](O)C[C@@H]1C ZINC000337566408 385710908 /nfs/dbraw/zinc/71/09/08/385710908.db2.gz QTEJIPPABUBBPD-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@@H](N[C@@H]1Cc2cccc(O)c2C1)C(N)=O ZINC000309588370 385713257 /nfs/dbraw/zinc/71/32/57/385713257.db2.gz SWXVZGJTUGOSJX-VXNVDRBHSA-N 0 3 220.272 0.323 20 0 BCADHN CCN(CC)CC(=O)N[C@H](CO)CC(F)F ZINC000337580701 385715716 /nfs/dbraw/zinc/71/57/16/385715716.db2.gz ZYVFUSKQUWLYNY-QMMMGPOBSA-N 0 3 238.278 0.461 20 0 BCADHN CCN(CC)CC(=O)N[C@](C)(CC)CO ZINC000337448830 385666988 /nfs/dbraw/zinc/66/69/88/385666988.db2.gz GXDIDIBPSGQKOZ-LLVKDONJSA-N 0 3 216.325 0.605 20 0 BCADHN CS(=O)(=O)[C@H]1CCN(CC2CCOCC2)C1 ZINC000337457293 385670567 /nfs/dbraw/zinc/67/05/67/385670567.db2.gz NORFDJBCTJAULX-NSHDSACASA-N 0 3 247.360 0.532 20 0 BCADHN COC[C@@H](N[C@@H](C)C(=O)NCCF)C1CC1 ZINC000309602378 385737794 /nfs/dbraw/zinc/73/77/94/385737794.db2.gz XXFQBKSARMBPFB-WCBMZHEXSA-N 0 3 232.299 0.475 20 0 BCADHN COC[C@H](CN[C@@H](C)c1cn[nH]c1)OC ZINC000336694792 385741771 /nfs/dbraw/zinc/74/17/71/385741771.db2.gz NMVYIPBXAFIGBX-WPRPVWTQSA-N 0 3 213.281 0.722 20 0 BCADHN CS[C@H](CO)[C@@H](C)NC(=O)/C=C/CN(C)C ZINC000270768638 385741886 /nfs/dbraw/zinc/74/18/86/385741886.db2.gz SSEUUCAQGIQESH-GMCFVEKCSA-N 0 3 246.376 0.333 20 0 BCADHN Cc1cnc(CNC(C)(C)CCO)n1C ZINC000336656626 385786191 /nfs/dbraw/zinc/78/61/91/385786191.db2.gz AKQATUCHKLYIJD-UHFFFAOYSA-N 0 3 211.309 0.979 20 0 BCADHN COC[C@H](CC(C)C)N[C@H]1CCS(=O)(=O)C1 ZINC000309616661 385744189 /nfs/dbraw/zinc/74/41/89/385744189.db2.gz CZLLFHUGWNYWNM-QWRGUYRKSA-N 0 3 249.376 0.824 20 0 BCADHN C[C@@H](CNC(=O)c1c[nH]c(=S)[nH]1)N(C)C ZINC000282242758 385745270 /nfs/dbraw/zinc/74/52/70/385745270.db2.gz VCOKZTLQOSMDQT-LURJTMIESA-N 0 3 228.321 0.378 20 0 BCADHN CC(C)n1cc(NC(=O)[C@@H]2C[C@@H]2N)cn1 ZINC000061682275 385745410 /nfs/dbraw/zinc/74/54/10/385745410.db2.gz STNJHKJTAGIQPY-BDAKNGLRSA-N 0 3 208.265 0.750 20 0 BCADHN CC(C)(CC(N)=O)NCc1ccncc1 ZINC000186210223 385747264 /nfs/dbraw/zinc/74/72/64/385747264.db2.gz XOINHSUSDPLHCF-UHFFFAOYSA-N 0 3 207.277 0.825 20 0 BCADHN CN(CCOCCO)CCc1cccnc1 ZINC000282273946 385747943 /nfs/dbraw/zinc/74/79/43/385747943.db2.gz DNAOHSWUMVIEQX-UHFFFAOYSA-N 0 3 224.304 0.565 20 0 BCADHN C[C@@H](O)C(=O)NCc1ccccc1CN(C)C ZINC000270816717 385748928 /nfs/dbraw/zinc/74/89/28/385748928.db2.gz QMLKYODXSXXQDK-SNVBAGLBSA-N 0 3 236.315 0.745 20 0 BCADHN CCC(C)(C)NC(=O)CNC(C)(C)CC(N)=O ZINC000186233461 385749883 /nfs/dbraw/zinc/74/98/83/385749883.db2.gz ADSLAMGEFVTQEG-UHFFFAOYSA-N 0 3 243.351 0.535 20 0 BCADHN C[C@H](NCC(=O)NC(N)=O)[C@@H](C)c1ccccc1 ZINC000183360517 385755728 /nfs/dbraw/zinc/75/57/28/385755728.db2.gz BHZJLHJZEXSEDQ-ZJUUUORDSA-N 0 3 249.314 0.963 20 0 BCADHN CC[C@@H](NC[C@@]1(O)CCOC1)c1nccn1C ZINC000183391323 385758099 /nfs/dbraw/zinc/75/80/99/385758099.db2.gz VJXIMHQGIJEZDY-PWSUYJOCSA-N 0 3 239.319 0.612 20 0 BCADHN CC[C@@H](C)N1CC[C@H](S(N)(=O)=O)C1 ZINC000307683101 385764151 /nfs/dbraw/zinc/76/41/51/385764151.db2.gz GPQMWATXVSFJJQ-SFYZADRCSA-N 0 3 206.311 0.148 20 0 BCADHN CN(CCO)Cc1cn(C)nc1-c1ccncc1 ZINC000271017729 385771765 /nfs/dbraw/zinc/77/17/65/385771765.db2.gz SEBWQVPYEYUHDC-UHFFFAOYSA-N 0 3 246.314 0.906 20 0 BCADHN CNC(=O)[C@@H](NCCn1ccnc1)C(C)C ZINC000309657168 385776742 /nfs/dbraw/zinc/77/67/42/385776742.db2.gz QGGSCJCETIRTCR-JTQLQIEISA-N 0 3 224.308 0.243 20 0 BCADHN COC[C@H](CC(C)C)N[C@@H]1CC(=O)N(C)C1 ZINC000309665299 385776889 /nfs/dbraw/zinc/77/68/89/385776889.db2.gz SYFORBUNHZGOFV-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@H](CO)NCc1ccnn1CCCOC ZINC000282696266 385779679 /nfs/dbraw/zinc/77/96/79/385779679.db2.gz PSJUUGKIDFRICG-LLVKDONJSA-N 0 3 241.335 0.780 20 0 BCADHN CC(C)N(CCO)Cc1cnc(N(C)C)nc1 ZINC000271053057 385779944 /nfs/dbraw/zinc/77/99/44/385779944.db2.gz XFUQNRCTGYRYKS-UHFFFAOYSA-N 0 3 238.335 0.745 20 0 BCADHN Cc1csc(=O)n1CCN(C)[C@@H](C)CO ZINC000282712203 385780287 /nfs/dbraw/zinc/78/02/87/385780287.db2.gz GTLPPZABJBHKBZ-QMMMGPOBSA-N 0 3 230.333 0.531 20 0 BCADHN C[C@H](CNC(=O)c1ccc(C=O)[nH]1)CN(C)C ZINC000293994002 385781113 /nfs/dbraw/zinc/78/11/13/385781113.db2.gz YGOGTHYMLIMZPZ-SECBINFHSA-N 0 3 237.303 0.755 20 0 BCADHN CC[C@H](N)C(=O)N[C@@](C)(CC)C(=O)OC ZINC000336740034 385781158 /nfs/dbraw/zinc/78/11/58/385781158.db2.gz LWWYJYGWURQDCP-XVKPBYJWSA-N 0 3 216.281 0.182 20 0 BCADHN C[C@H](O)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000281994667 385722070 /nfs/dbraw/zinc/72/20/70/385722070.db2.gz NCXDELPUWCHDNZ-VHSXEESVSA-N 0 3 209.293 0.970 20 0 BCADHN CN(C)CCNC(=O)NCCc1ccncc1 ZINC000270637685 385724882 /nfs/dbraw/zinc/72/48/82/385724882.db2.gz IEWZMOGQPAUSMA-UHFFFAOYSA-N 0 3 236.319 0.485 20 0 BCADHN C[C@H](O)CN(CCO)C[C@H]1CC[C@H](C)O1 ZINC000336714248 385809001 /nfs/dbraw/zinc/80/90/01/385809001.db2.gz WAOWXJPBOCDUDT-GARJFASQSA-N 0 3 217.309 0.229 20 0 BCADHN O=C1COc2ccc(CNCCCO)cc2N1 ZINC000231642337 385809778 /nfs/dbraw/zinc/80/97/78/385809778.db2.gz NOJNBJYDQRFVQX-UHFFFAOYSA-N 0 3 236.271 0.490 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)CC1(N(C)C)CCC1 ZINC000186947382 385816844 /nfs/dbraw/zinc/81/68/44/385816844.db2.gz ONPFXIHMHAWQEE-LLVKDONJSA-N 0 3 241.379 0.879 20 0 BCADHN C[C@@H](CNC(=O)C=Cc1c[nH]cn1)N(C)C ZINC000283361224 385817618 /nfs/dbraw/zinc/81/76/18/385817618.db2.gz DDWPWCPGHNMHJU-MOVJSRMASA-N 0 3 222.292 0.489 20 0 BCADHN C[C@@H](C(=O)N[C@H]1C[C@@H](O)C1)N1CCCCCC1 ZINC000408473232 385819846 /nfs/dbraw/zinc/81/98/46/385819846.db2.gz ZPPBACOTTKJKQR-SDDRHHMPSA-N 0 3 240.347 0.890 20 0 BCADHN CO[C@H](C)CN(C)CCN1CCO[C@@H](C)C1 ZINC000353200284 385822095 /nfs/dbraw/zinc/82/20/95/385822095.db2.gz IOSBKQNHZZUGQK-NEPJUHHUSA-N 0 3 230.352 0.674 20 0 BCADHN O=C(CN1CC[C@](O)(C2CC2)C1)NC1CC1 ZINC000365840591 385823482 /nfs/dbraw/zinc/82/34/82/385823482.db2.gz WOQLMKMXRWHDEF-GFCCVEGCSA-N 0 3 224.304 0.112 20 0 BCADHN CCOc1cc(C(=O)NC[C@H](C)N(C)C)on1 ZINC000294214522 385823910 /nfs/dbraw/zinc/82/39/10/385823910.db2.gz CSBACRXGZBWBLO-QMMMGPOBSA-N 0 3 241.291 0.753 20 0 BCADHN CCN(C#N)CCN1CC[C@@H]2OCC[C@@H]2C1 ZINC000602852399 385826296 /nfs/dbraw/zinc/82/62/96/385826296.db2.gz QQTRHXQRDBDLJO-NEPJUHHUSA-N 0 3 223.320 0.900 20 0 BCADHN CC[C@H]1CN(Cc2ccnn2C)C[C@H]1O ZINC000271404896 385826408 /nfs/dbraw/zinc/82/64/08/385826408.db2.gz WKJCPXKWRHOHTK-GXSJLCMTSA-N 0 3 209.293 0.623 20 0 BCADHN CCn1ncnc1CNC(=O)[C@@H](N)CC(C)C ZINC000521433117 385826997 /nfs/dbraw/zinc/82/69/97/385826997.db2.gz VUGGPWLTOOMVCP-VIFPVBQESA-N 0 3 239.323 0.288 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-][C@H](C)CC[NH3+])o1 ZINC000336738124 385827036 /nfs/dbraw/zinc/82/70/36/385827036.db2.gz KAVNTOQLWSSDRV-SSDOTTSWSA-N 0 3 232.305 0.604 20 0 BCADHN CCN(C)C(=O)Nc1ccnn1CCN(C)C ZINC000294267140 385831169 /nfs/dbraw/zinc/83/11/69/385831169.db2.gz YYFZJELHHGEMJX-UHFFFAOYSA-N 0 3 239.323 0.928 20 0 BCADHN C[C@@H](CNC(=O)c1ccnc2[nH]cnc21)N(C)C ZINC000294313436 385836114 /nfs/dbraw/zinc/83/61/14/385836114.db2.gz JOAQSJLNCANZHJ-QMMMGPOBSA-N 0 3 247.302 0.638 20 0 BCADHN CN(CCC(=O)N[C@@H]1CCOC1)c1ccncc1 ZINC000644835978 385837221 /nfs/dbraw/zinc/83/72/21/385837221.db2.gz SCMOESQHFHXSHF-LLVKDONJSA-N 0 3 249.314 0.813 20 0 BCADHN C[C@H](C[NH3+])C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000262178133 385837280 /nfs/dbraw/zinc/83/72/80/385837280.db2.gz KTGMPHLNHLFLRM-GSVOUGTGSA-N 0 3 237.185 0.357 20 0 BCADHN C[C@H](C[NH3+])C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000262178133 385837283 /nfs/dbraw/zinc/83/72/83/385837283.db2.gz KTGMPHLNHLFLRM-GSVOUGTGSA-N 0 3 237.185 0.357 20 0 BCADHN C[C@@H]1CN([C@H]2COC[C@H]2O)C[C@H](C)S1 ZINC000643372474 385838017 /nfs/dbraw/zinc/83/80/17/385838017.db2.gz DLWNYZGEEKONHZ-QCLAVDOMSA-N 0 3 217.334 0.572 20 0 BCADHN CCCCN(C)CCNC(=O)[C@@H](C)NC(C)=O ZINC000112311560 385838654 /nfs/dbraw/zinc/83/86/54/385838654.db2.gz RLRIILCSVJDHMK-SNVBAGLBSA-N 0 3 243.351 0.359 20 0 BCADHN CN(C)C1CN(c2ccnc3c2cnn3C)C1 ZINC000283897849 385839451 /nfs/dbraw/zinc/83/94/51/385839451.db2.gz WBAFWPSIOJPMRW-UHFFFAOYSA-N 0 3 231.303 0.719 20 0 BCADHN CN(C)c1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)cn1 ZINC000644836158 385839859 /nfs/dbraw/zinc/83/98/59/385839859.db2.gz QQTMGISHSIDRNZ-ITGUQSILSA-N 0 3 247.342 0.818 20 0 BCADHN CC[C@H](O)[C@H]1CCCCN1CC(=O)NC ZINC000112680998 385841048 /nfs/dbraw/zinc/84/10/48/385841048.db2.gz RXKKPNNAUSNLDB-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)C(=O)NCCF ZINC000336725279 385841456 /nfs/dbraw/zinc/84/14/56/385841456.db2.gz BKZBBKKGBXGHNX-GUBZILKMSA-N 0 3 232.299 0.618 20 0 BCADHN C[C@H](N)C(=O)NCc1ccc(CO)c(F)c1 ZINC000262305726 385842091 /nfs/dbraw/zinc/84/20/91/385842091.db2.gz OSKNJQWBYKCBFM-ZETCQYMHSA-N 0 3 226.251 0.281 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)Cc1noc(C)n1 ZINC000262377363 385843478 /nfs/dbraw/zinc/84/34/78/385843478.db2.gz JTMFCSJMUGBKCY-LLVKDONJSA-N 0 3 240.307 0.854 20 0 BCADHN CCCCN(C)CCNC(=O)NCCCO ZINC000112466004 385845715 /nfs/dbraw/zinc/84/57/15/385845715.db2.gz NLEQOGSBGUDVJE-UHFFFAOYSA-N 0 3 231.340 0.400 20 0 BCADHN C[C@H](C(=O)NC1(CO)CC1)N1[C@H](C)CC[C@@H]1C ZINC000413638528 385847326 /nfs/dbraw/zinc/84/73/26/385847326.db2.gz IWTYUDKQVIPTMP-OUAUKWLOSA-N 0 3 240.347 0.889 20 0 BCADHN Cc1n[nH]cc1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644837134 385847612 /nfs/dbraw/zinc/84/76/12/385847612.db2.gz IFIRQKODQKRWAE-URLYPYJESA-N 0 3 207.277 0.388 20 0 BCADHN Cc1ccc(C(N)=O)cc1NC(=O)C(C)(C)N ZINC000262459625 385849708 /nfs/dbraw/zinc/84/97/08/385849708.db2.gz VEQTWSQQUVFKHA-UHFFFAOYSA-N 0 3 235.287 0.770 20 0 BCADHN CCOC(=O)CCN(C)CC1(CO)CC1 ZINC000186769419 385789708 /nfs/dbraw/zinc/78/97/08/385789708.db2.gz KEYXHVJENOCJIE-UHFFFAOYSA-N 0 3 215.293 0.644 20 0 BCADHN CSCC[C@H](CO)NCc1n[nH]cc1C ZINC000336740269 385789752 /nfs/dbraw/zinc/78/97/52/385789752.db2.gz UCNQDHMYLLPUBF-SECBINFHSA-N 0 3 229.349 0.922 20 0 BCADHN CC[C@](C)(O)CN[C@H](C)c1ccc(=O)[nH]n1 ZINC000336740108 385792688 /nfs/dbraw/zinc/79/26/88/385792688.db2.gz PVCUJAWSUUOYPR-KCJUWKMLSA-N 0 3 225.292 0.994 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@H](N)C1CCOCC1 ZINC000337804764 385795008 /nfs/dbraw/zinc/79/50/08/385795008.db2.gz JJBUREORSMPRML-WDEREUQCSA-N 0 3 244.335 0.018 20 0 BCADHN Cc1nc(CN(C)CCCn2ccnc2)n[nH]1 ZINC000271881788 385856323 /nfs/dbraw/zinc/85/63/23/385856323.db2.gz CEIVFJCERMFNRG-UHFFFAOYSA-N 0 3 234.307 0.832 20 0 BCADHN Cc1cnn(C)c1CNCCn1cncn1 ZINC000309699068 385797775 /nfs/dbraw/zinc/79/77/75/385797775.db2.gz LZIDVTFFDLBUAC-UHFFFAOYSA-N 0 3 220.280 0.110 20 0 BCADHN C[C@H](O)C(=O)N(CCN(C)C)c1ccccc1 ZINC000294696577 385883890 /nfs/dbraw/zinc/88/38/90/385883890.db2.gz KXWSRWOLEPPEFJ-NSHDSACASA-N 0 3 236.315 0.962 20 0 BCADHN Cc1nocc1CN1CC[C@](C)(C(N)=O)C1 ZINC000294716130 385887574 /nfs/dbraw/zinc/88/75/74/385887574.db2.gz PCLDXHOVJNRWHX-NSHDSACASA-N 0 3 223.276 0.680 20 0 BCADHN COC(=O)c1ccc(CN[C@H]2C[C@@H](O)C2)[nH]1 ZINC000294721160 385887880 /nfs/dbraw/zinc/88/78/80/385887880.db2.gz AXFPARRWPWCNDJ-DTORHVGOSA-N 0 3 224.260 0.414 20 0 BCADHN Cc1ocnc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262818496 385889769 /nfs/dbraw/zinc/88/97/69/385889769.db2.gz SDPSJMFWPPNRDN-SFYZADRCSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1nc(C(=O)N2CCNCC2(C)C)c[nH]1 ZINC000647841365 385889973 /nfs/dbraw/zinc/88/99/73/385889973.db2.gz NLCKKNBBMSMQDI-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN Cc1ncc(C(=O)N2CCNCC2(C)C)[nH]1 ZINC000647841365 385889979 /nfs/dbraw/zinc/88/99/79/385889979.db2.gz NLCKKNBBMSMQDI-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@H]1COC)N(C)C ZINC000413817266 385891423 /nfs/dbraw/zinc/89/14/23/385891423.db2.gz LKFVJVLKMSVGCI-UWVGGRQHSA-N 0 3 214.309 0.574 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H]1COC)N(C)C ZINC000413817268 385891860 /nfs/dbraw/zinc/89/18/60/385891860.db2.gz LKFVJVLKMSVGCI-VHSXEESVSA-N 0 3 214.309 0.574 20 0 BCADHN COC(=O)CCN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000123577324 385893076 /nfs/dbraw/zinc/89/30/76/385893076.db2.gz PHAHSBURRRCYAU-NXEZZACHSA-N 0 3 214.309 0.574 20 0 BCADHN CC[C@@H](C(=O)N(CC)[C@@H]1CCOC1)N(C)C ZINC000413821158 385893394 /nfs/dbraw/zinc/89/33/94/385893394.db2.gz IKVXJIRHRFKFIC-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN Cc1noc(C)c1NC(=O)COC1(C)CNC1 ZINC000647922008 385897883 /nfs/dbraw/zinc/89/78/83/385897883.db2.gz NLESRTIFXGPNHP-UHFFFAOYSA-N 0 3 239.275 0.608 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@H]1CCN(CC)C1 ZINC000413858011 385900000 /nfs/dbraw/zinc/90/00/00/385900000.db2.gz LTBZHRCYCKTIAO-UWVGGRQHSA-N 0 3 229.324 0.151 20 0 BCADHN CSCCN1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355098276 385902036 /nfs/dbraw/zinc/90/20/36/385902036.db2.gz MDLSDRLUHBBCFZ-JTQLQIEISA-N 0 3 243.376 0.885 20 0 BCADHN CCNC(=O)CNC[C@@](C)(OC)C1CC1 ZINC000308864403 385903542 /nfs/dbraw/zinc/90/35/42/385903542.db2.gz QHCNVCBWJGHDTL-LLVKDONJSA-N 0 3 214.309 0.527 20 0 BCADHN CC[C@H](C(=O)N[C@H]1COCC1(C)C)N(C)C ZINC000413839042 385905265 /nfs/dbraw/zinc/90/52/65/385905265.db2.gz CFTYHOZRUYJAHV-ZJUUUORDSA-N 0 3 228.336 0.868 20 0 BCADHN Cc1cc(CN(C)C)cc(NC(=O)CO)c1 ZINC000294856767 385906039 /nfs/dbraw/zinc/90/60/39/385906039.db2.gz CRNGXRCNGQEGAA-UHFFFAOYSA-N 0 3 222.288 0.987 20 0 BCADHN Cc1nc(C(=O)N2C[C@@H](C)NC[C@@H]2C)c[nH]1 ZINC000272515867 385908757 /nfs/dbraw/zinc/90/87/57/385908757.db2.gz HCKDIPZFALXMFV-SFYZADRCSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1ncc(C(=O)N2C[C@@H](C)NC[C@@H]2C)[nH]1 ZINC000272515867 385908760 /nfs/dbraw/zinc/90/87/60/385908760.db2.gz HCKDIPZFALXMFV-SFYZADRCSA-N 0 3 222.292 0.541 20 0 BCADHN CCN1CC[C@@H](NC(=O)N[C@@H](C)CF)C1 ZINC000413866417 385909065 /nfs/dbraw/zinc/90/90/65/385909065.db2.gz WHSFDFICHQUBAY-DTWKUNHWSA-N 0 3 217.288 0.738 20 0 BCADHN CN(C)CCn1nnnc1SCC(F)F ZINC000112770881 385909930 /nfs/dbraw/zinc/90/99/30/385909930.db2.gz DQJRIPZYNBMUOX-UHFFFAOYSA-N 0 3 237.279 0.592 20 0 BCADHN COC(=O)C1=C(C)O[C@H](CN2CC[C@@H](O)C2)C1 ZINC000272550046 385910370 /nfs/dbraw/zinc/91/03/70/385910370.db2.gz ORRLQKPKCKDBEK-ZJUUUORDSA-N 0 3 241.287 0.289 20 0 BCADHN Cn1cccc1CNC[C@H]1CCCC(=O)N1 ZINC000336721421 385910377 /nfs/dbraw/zinc/91/03/77/385910377.db2.gz ZTKNPLYFPKTQRH-SNVBAGLBSA-N 0 3 221.304 0.783 20 0 BCADHN CCN(C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000123824445 385914725 /nfs/dbraw/zinc/91/47/25/385914725.db2.gz YKIJPJPAIUZPLL-SECBINFHSA-N 0 3 211.309 0.884 20 0 BCADHN CC[C@@H](C(=O)NCc1nncn1CC)N(C)C ZINC000338209986 385925840 /nfs/dbraw/zinc/92/58/40/385925840.db2.gz WUYVKNAKGWMCEH-VIFPVBQESA-N 0 3 239.323 0.254 20 0 BCADHN CO[C@]1(C)C[C@H](NC(=O)[C@@H](C)N)C1(C)C ZINC000121684093 385860886 /nfs/dbraw/zinc/86/08/86/385860886.db2.gz GTYLLGPIQGQISS-VHSKPIJISA-N 0 3 214.309 0.653 20 0 BCADHN CCC[C@@](C)(CO)NC(=O)[C@@H](CC)N(C)C ZINC000413691542 385862198 /nfs/dbraw/zinc/86/21/98/385862198.db2.gz IFANYKMKVHADKS-PWSUYJOCSA-N 0 3 230.352 0.994 20 0 BCADHN C[C@H](NCCOCCO)c1cccc(CO)c1 ZINC000271971200 385864691 /nfs/dbraw/zinc/86/46/91/385864691.db2.gz NCZUPXVPJQLOGD-NSHDSACASA-N 0 3 239.315 0.838 20 0 BCADHN Cn1ccc(NC(=O)NCC2=CCN(C)CC2)n1 ZINC000271987599 385866796 /nfs/dbraw/zinc/86/67/96/385866796.db2.gz FSAOXCXDVQDQCW-UHFFFAOYSA-N 0 3 249.318 0.804 20 0 BCADHN Cc1cnn(C)c1CN[C@H]1CCC(=O)NC1 ZINC000336719975 385866871 /nfs/dbraw/zinc/86/68/71/385866871.db2.gz YOWAMZBYRPRJCD-VIFPVBQESA-N 0 3 222.292 0.097 20 0 BCADHN CN1C[C@H]2CCN(Cc3cocn3)[C@@H]2C1 ZINC000644840332 385868734 /nfs/dbraw/zinc/86/87/34/385868734.db2.gz KHSIXQHOAABJFD-MWLCHTKSSA-N 0 3 207.277 0.811 20 0 BCADHN CN1CC=C(CNC(=O)c2ncccc2N)CC1 ZINC000392812916 385879765 /nfs/dbraw/zinc/87/97/65/385879765.db2.gz NEGZVQXRERNPDK-UHFFFAOYSA-N 0 3 246.314 0.656 20 0 BCADHN CC[C@]1(C)CCN(Cc2cnc(N)nc2N)C1 ZINC000638135604 385880430 /nfs/dbraw/zinc/88/04/30/385880430.db2.gz URQNGZCFFRFFAL-GFCCVEGCSA-N 0 3 235.335 0.924 20 0 BCADHN CN(C)CCNC(=O)c1ccnc2[nH]cnc21 ZINC000272189138 385882528 /nfs/dbraw/zinc/88/25/28/385882528.db2.gz FDVFNGPIDAYYID-UHFFFAOYSA-N 0 3 233.275 0.249 20 0 BCADHN CC[C@H](O)CN1CC[C@H](C)C[C@@H]1C(N)=O ZINC000187421295 385976907 /nfs/dbraw/zinc/97/69/07/385976907.db2.gz NSEVDYMAXPEFOS-LPEHRKFASA-N 0 3 214.309 0.343 20 0 BCADHN C[C@H](CCO)CNC(=O)C12CCCN1CCC2 ZINC000355238298 385982078 /nfs/dbraw/zinc/98/20/78/385982078.db2.gz YMBDWVMLBHAIBE-LLVKDONJSA-N 0 3 240.347 0.750 20 0 BCADHN CO[C@H](CN[C@H](C(N)=O)C(C)(C)C)C1CC1 ZINC000425412798 385982202 /nfs/dbraw/zinc/98/22/02/385982202.db2.gz FZKFHWAWWKZVLK-NXEZZACHSA-N 0 3 228.336 0.901 20 0 BCADHN COCC[C@H](NCCOCCO)c1ccco1 ZINC000273260015 385982588 /nfs/dbraw/zinc/98/25/88/385982588.db2.gz KPDSBKDWJGBMFG-NSHDSACASA-N 0 3 243.303 0.956 20 0 BCADHN C[C@@H]1[C@@H](NCc2cc[nH]n2)CCCN1C ZINC000336748771 385988637 /nfs/dbraw/zinc/98/86/37/385988637.db2.gz DSFJUYJCCCRXGR-KOLCDFICSA-N 0 3 208.309 0.982 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCC1=CCN(C)CC1 ZINC000336749008 385989909 /nfs/dbraw/zinc/98/99/09/385989909.db2.gz TVIUNCJTLJQROK-SNVBAGLBSA-N 0 3 246.376 0.271 20 0 BCADHN COCC1(CNCC(=O)N(C)C)CCC1 ZINC000309004320 385933702 /nfs/dbraw/zinc/93/37/02/385933702.db2.gz SYEYOJKYHLZBQX-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN C[C@H](O)C(C)(C)NC(=O)/C=C/CN(C)C ZINC000272818804 385937381 /nfs/dbraw/zinc/93/73/81/385937381.db2.gz MXIOBFZQVJPEAC-UCUJLANTSA-N 0 3 214.309 0.380 20 0 BCADHN CN1CCC(O)(CNC(=O)OCCCF)CC1 ZINC000496621454 385939332 /nfs/dbraw/zinc/93/93/32/385939332.db2.gz GJNVIMUZQFUDNV-UHFFFAOYSA-N 0 3 248.298 0.529 20 0 BCADHN COCCN(C)CCN[C@H](C)c1ccn(C)n1 ZINC000414064340 385939928 /nfs/dbraw/zinc/93/99/28/385939928.db2.gz DTCIPYOTMBTMOI-LLVKDONJSA-N 0 3 240.351 0.649 20 0 BCADHN CN1CCC(NC(=O)[C@@]2(C)C[C@H]2F)CC1 ZINC000335045572 385941208 /nfs/dbraw/zinc/94/12/08/385941208.db2.gz CCYNQIHIOPBKGC-KOLCDFICSA-N 0 3 214.284 0.945 20 0 BCADHN CN1CC[C@](O)(CNC(=O)[C@H]2CCCS2)C1 ZINC000335047691 385944654 /nfs/dbraw/zinc/94/46/54/385944654.db2.gz MDGBRUQQAMMOLM-KOLCDFICSA-N 0 3 244.360 0.065 20 0 BCADHN CCC(=O)N[C@@H]1CCCN(CC[C@H](C)O)C1 ZINC000425398638 385949366 /nfs/dbraw/zinc/94/93/66/385949366.db2.gz NXOUIMKXXADVRV-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN CCC(=O)N[C@@H]1CCCN(CC[C@@H](C)O)C1 ZINC000425398635 385949637 /nfs/dbraw/zinc/94/96/37/385949637.db2.gz NXOUIMKXXADVRV-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN Cn1nncc1CNC[C@@H](O)Cc1ccccc1 ZINC000342166795 385949611 /nfs/dbraw/zinc/94/96/11/385949611.db2.gz CCZGNARICXWZRX-ZDUSSCGKSA-N 0 3 246.314 0.508 20 0 BCADHN Cc1cnn(CCN(C[C@H](C)O)[C@H](C)CO)c1 ZINC000342170088 385950585 /nfs/dbraw/zinc/95/05/85/385950585.db2.gz PQLKJJYMEYFIEK-NEPJUHHUSA-N 0 3 241.335 0.255 20 0 BCADHN C[C@@H](CO)[C@@H](C)NC(=O)C12CCCN1CCC2 ZINC000366001583 385954786 /nfs/dbraw/zinc/95/47/86/385954786.db2.gz JYJOETXMJDDYCW-WDEREUQCSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H](CO)[C@H](C)NC(=O)C12CCCN1CCC2 ZINC000366001582 385955397 /nfs/dbraw/zinc/95/53/97/385955397.db2.gz JYJOETXMJDDYCW-QWRGUYRKSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H](NC(=O)C12CCCN1CCC2)[C@H](C)CO ZINC000366001580 385957760 /nfs/dbraw/zinc/95/77/60/385957760.db2.gz JYJOETXMJDDYCW-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H](CN)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000285703477 385957843 /nfs/dbraw/zinc/95/78/43/385957843.db2.gz QNAPMANTXSCNIW-BCTVWOGZSA-N 0 3 240.328 0.957 20 0 BCADHN CN(Cc1cccn1C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295082754 385959295 /nfs/dbraw/zinc/95/92/95/385959295.db2.gz ILTNPUZDPLJQFB-KGLIPLIRSA-N 0 3 249.358 0.930 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCC1(C(=O)OC)CC1 ZINC000451943072 385961988 /nfs/dbraw/zinc/96/19/88/385961988.db2.gz DAXGDRLIURWBFJ-NXEZZACHSA-N 0 3 243.303 0.333 20 0 BCADHN CNC(=O)C[C@H](C)N[C@@H]1C=C[C@@H](CO)C1 ZINC000345048220 385964586 /nfs/dbraw/zinc/96/45/86/385964586.db2.gz DJVOQPJYEWKBBN-IVZWLZJFSA-N 0 3 212.293 0.038 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccncc2C)C1 ZINC000187946338 385972125 /nfs/dbraw/zinc/97/21/25/385972125.db2.gz GZWAXFMNRIATEZ-GXSJLCMTSA-N 0 3 235.287 0.705 20 0 BCADHN CC1(C)CC[N@H+](CCCOC([O-])=NC(N)=O)C1 ZINC000093177420 385974427 /nfs/dbraw/zinc/97/44/27/385974427.db2.gz DHWRJGWVTZZEDI-UHFFFAOYSA-N 0 3 243.307 0.913 20 0 BCADHN CC1(C)CC[N@@H+](CCCOC([O-])=NC(N)=O)C1 ZINC000093177420 385974433 /nfs/dbraw/zinc/97/44/33/385974433.db2.gz DHWRJGWVTZZEDI-UHFFFAOYSA-N 0 3 243.307 0.913 20 0 BCADHN CC1(C)CC[N@H+](CCCOC(=O)N=C(N)[O-])C1 ZINC000093177420 385974437 /nfs/dbraw/zinc/97/44/37/385974437.db2.gz DHWRJGWVTZZEDI-UHFFFAOYSA-N 0 3 243.307 0.913 20 0 BCADHN CC1(C)CC[N@@H+](CCCOC(=O)N=C(N)[O-])C1 ZINC000093177420 385974440 /nfs/dbraw/zinc/97/44/40/385974440.db2.gz DHWRJGWVTZZEDI-UHFFFAOYSA-N 0 3 243.307 0.913 20 0 BCADHN CC[C@H](Cn1cncn1)N[C@@H](C)C(=O)N(C)C ZINC000340498237 385998137 /nfs/dbraw/zinc/99/81/37/385998137.db2.gz LAHCJUZFSPDHQT-VHSXEESVSA-N 0 3 239.323 0.123 20 0 BCADHN Nc1ncc(CNC2CCSCC2)c(N)n1 ZINC000638574893 386000204 /nfs/dbraw/zinc/00/02/04/386000204.db2.gz XXBLECZEAMXKDX-UHFFFAOYSA-N 0 3 239.348 0.287 20 0 BCADHN CO[C@H]1C[C@@H](N(C)C(=O)/C=C/CN(C)C)C1 ZINC000286144425 386000897 /nfs/dbraw/zinc/00/08/97/386000897.db2.gz XUUQQESVFWWWMF-SKUMGHAQSA-N 0 3 226.320 0.740 20 0 BCADHN COC[C@H]1CN(CCCCCO)C[C@@H](C)O1 ZINC000189382708 386001517 /nfs/dbraw/zinc/00/15/17/386001517.db2.gz MZKDZNDFVZYKME-VXGBXAGGSA-N 0 3 231.336 0.885 20 0 BCADHN CN(Cc1c[nH]cn1)C[C@@H]1CCCN1C ZINC000643256316 386002585 /nfs/dbraw/zinc/00/25/85/386002585.db2.gz FYDHMLUSQSLMQR-NSHDSACASA-N 0 3 208.309 0.936 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCN(C)C1)c1nccs1 ZINC000336750385 386003390 /nfs/dbraw/zinc/00/33/90/386003390.db2.gz UUJLVSOLAXPFKC-KOLCDFICSA-N 0 3 241.360 0.860 20 0 BCADHN CCOCCN[C@H](Cc1ccccc1)C(N)=O ZINC000273474346 386004331 /nfs/dbraw/zinc/00/43/31/386004331.db2.gz JWLJJJSBEMGZNF-GFCCVEGCSA-N 0 3 236.315 0.709 20 0 BCADHN Cc1cnn(C)c1CN[C@@H](C)C[C@@H](C)O ZINC000336750992 386006342 /nfs/dbraw/zinc/00/63/42/386006342.db2.gz GDRUBPPAZUEMOQ-VHSXEESVSA-N 0 3 211.309 0.978 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)CN(C)C(C)C 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CCOC[C@H](N[C@@H]1CCN(C)C1=O)C(C)C ZINC000189815628 386091537 /nfs/dbraw/zinc/09/15/37/386091537.db2.gz CSPYYHJDFUJWTN-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN CCOC[C@@H](N[C@H]1CCN(C)C1=O)C(C)C ZINC000189815683 386091709 /nfs/dbraw/zinc/09/17/09/386091709.db2.gz CSPYYHJDFUJWTN-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN CNC(=O)CCNCc1c[nH]c2nccnc12 ZINC000356181913 386096287 /nfs/dbraw/zinc/09/62/87/386096287.db2.gz CKZATVNRLNLSCZ-UHFFFAOYSA-N 0 3 233.275 0.135 20 0 BCADHN COC[C@H](CCO)NCc1cnccc1C ZINC000234768550 386096463 /nfs/dbraw/zinc/09/64/63/386096463.db2.gz NKQOPUFACUTNAF-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCOC1)C1=CCN(C)CC1 ZINC000334457719 386097543 /nfs/dbraw/zinc/09/75/43/386097543.db2.gz IYLSMLBCCNMWGA-ZYHUDNBSSA-N 0 3 238.331 0.790 20 0 BCADHN C[C@H]1[C@@H](NC(=O)CC(=O)N(C)C)CCCN1C ZINC000345302153 386098419 /nfs/dbraw/zinc/09/84/19/386098419.db2.gz UKZLTJZGVXRIFG-UWVGGRQHSA-N 0 3 241.335 0.064 20 0 BCADHN COCc1ccc(CN[C@@H](CO)COC)cc1 ZINC000234790790 386099701 /nfs/dbraw/zinc/09/97/01/386099701.db2.gz GBDHJWGSCAWPFU-ZDUSSCGKSA-N 0 3 239.315 0.930 20 0 BCADHN Cc1[nH]ncc1CN1CCN(C)C(=O)[C@H]1C ZINC000190079699 386146731 /nfs/dbraw/zinc/14/67/31/386146731.db2.gz GTINVWNNDMOGOT-SECBINFHSA-N 0 3 222.292 0.381 20 0 BCADHN Cc1nnc(NC(=O)N[C@@H](C)CN(C)C)s1 ZINC000287812953 386148910 /nfs/dbraw/zinc/14/89/10/386148910.db2.gz UUECESFCSLBACK-LURJTMIESA-N 0 3 243.336 0.918 20 0 BCADHN C[C@H](CN(C)C)NC(=O)C1CCOCC1 ZINC000346280422 386189782 /nfs/dbraw/zinc/18/97/82/386189782.db2.gz WBIZYMOLTVLYTJ-SECBINFHSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCC[C@@H](N(C)C)C1 ZINC000346279709 386189808 /nfs/dbraw/zinc/18/98/08/386189808.db2.gz YFVHXXLYFQRJTB-CMPLNLGQSA-N 0 3 239.363 0.680 20 0 BCADHN CN(CCNC(=O)c1ccnc(CN)c1)C1CC1 ZINC000130271004 386149902 /nfs/dbraw/zinc/14/99/02/386149902.db2.gz VPJVXQCPAYUZNT-UHFFFAOYSA-N 0 3 248.330 0.364 20 0 BCADHN Cc1cccc(NC(=O)C(=O)N(C)CCN)c1 ZINC000415875459 386153251 /nfs/dbraw/zinc/15/32/51/386153251.db2.gz DHJBKBVJTGEVFT-UHFFFAOYSA-N 0 3 235.287 0.351 20 0 BCADHN CN1CCC[C@@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000334476061 386153797 /nfs/dbraw/zinc/15/37/97/386153797.db2.gz OLNYYAOQUAVMJR-ZYHUDNBSSA-N 0 3 237.347 0.434 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1ccc(C(N)=O)cc1 ZINC000346285347 386190122 /nfs/dbraw/zinc/19/01/22/386190122.db2.gz YPFRHYXIVJPQAY-SECBINFHSA-N 0 3 249.314 0.465 20 0 BCADHN O=C1NC[C@@H](CN2CCCO[C@@H]3CCC[C@H]32)O1 ZINC000366928301 386157541 /nfs/dbraw/zinc/15/75/41/386157541.db2.gz AJJRAVQLMASNKF-HBNTYKKESA-N 0 3 240.303 0.738 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1ccccn1 ZINC000346126102 386157681 /nfs/dbraw/zinc/15/76/81/386157681.db2.gz AWBLKBRZXBQAAJ-SECBINFHSA-N 0 3 207.277 0.762 20 0 BCADHN CC[C@@H](C(=O)NCc1cn(C)nc1C)N(C)C ZINC000274839914 386158203 /nfs/dbraw/zinc/15/82/03/386158203.db2.gz PLXSYKRIRJFMRY-NSHDSACASA-N 0 3 238.335 0.685 20 0 BCADHN O=C1NC[C@H](CN2CCCO[C@@H]3CCC[C@H]32)O1 ZINC000366928300 386158559 /nfs/dbraw/zinc/15/85/59/386158559.db2.gz AJJRAVQLMASNKF-GMTAPVOTSA-N 0 3 240.303 0.738 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000346177001 386160073 /nfs/dbraw/zinc/16/00/73/386160073.db2.gz AHIUWMKLANXEPM-CSMHCCOUSA-N 0 3 220.263 0.954 20 0 BCADHN COC(=O)C1(NC(=O)C2CCN(C)CC2)CC1 ZINC000346176452 386161423 /nfs/dbraw/zinc/16/14/23/386161423.db2.gz HWVJWTPTCLBVOF-UHFFFAOYSA-N 0 3 240.303 0.150 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1CCCOC1 ZINC000346179191 386161561 /nfs/dbraw/zinc/16/15/61/386161561.db2.gz GXUWHTWZWOOIRO-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN O=c1cc2c(n[nH]1)CCN(CC1CC1)C2 ZINC000274895305 386161644 /nfs/dbraw/zinc/16/16/44/386161644.db2.gz QSQJKTWZWDFHGO-UHFFFAOYSA-N 0 3 205.261 0.538 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](C)CN(C)C ZINC000346182022 386161755 /nfs/dbraw/zinc/16/17/55/386161755.db2.gz CHYLZIVRFCQXTO-JTQLQIEISA-N 0 3 215.341 0.393 20 0 BCADHN CC[C@H](CCO)NCc1ncc(C)n1C ZINC000336722483 386162050 /nfs/dbraw/zinc/16/20/50/386162050.db2.gz FCMVXYLHSOMGMD-SNVBAGLBSA-N 0 3 211.309 0.979 20 0 BCADHN Cc1ccc(O)c(CN2C[C@@H](O)C[C@H]2CO)n1 ZINC000274906305 386162269 /nfs/dbraw/zinc/16/22/69/386162269.db2.gz IMPZMIQXXPRMDX-UWVGGRQHSA-N 0 3 238.287 0.023 20 0 BCADHN COC(=O)[C@@H](C)CC(=O)N[C@H](C)CN(C)C ZINC000346135176 386162846 /nfs/dbraw/zinc/16/28/46/386162846.db2.gz CQKFSPSWSXVRHN-DTWKUNHWSA-N 0 3 230.308 0.252 20 0 BCADHN Cc1c[nH]cc(C(=O)N[C@@H](C)CN(C)C)c1=O ZINC000346183503 386162938 /nfs/dbraw/zinc/16/29/38/386162938.db2.gz CYXFCICNJIOMSU-VIFPVBQESA-N 0 3 237.303 0.363 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)COC(F)F ZINC000346130787 386163973 /nfs/dbraw/zinc/16/39/73/386163973.db2.gz HCGUIAIDBIBVGV-LURJTMIESA-N 0 3 210.224 0.292 20 0 BCADHN CN(C)CCNC(=O)NCC1=CCCOC1 ZINC000288051874 386164642 /nfs/dbraw/zinc/16/46/42/386164642.db2.gz RZDYQUVMDXZEJF-UHFFFAOYSA-N 0 3 227.308 0.194 20 0 BCADHN CCOC[C@@H](O)CN1CCN(C)C[C@@H]1C(C)C ZINC000425486777 386165318 /nfs/dbraw/zinc/16/53/18/386165318.db2.gz VMWWXYYWLWYMEJ-QWHCGFSZSA-N 0 3 244.379 0.656 20 0 BCADHN C[C@@H](NC(=O)N[C@@H](C)CN(C)C)c1cn[nH]c1 ZINC000288076798 386165682 /nfs/dbraw/zinc/16/56/82/386165682.db2.gz VPAMTRVBKHFJEJ-DTWKUNHWSA-N 0 3 239.323 0.720 20 0 BCADHN CCCCN1CCc2n[nH]c(=O)cc2C1 ZINC000274947832 386166122 /nfs/dbraw/zinc/16/61/22/386166122.db2.gz GINUIOCKWXUWLC-UHFFFAOYSA-N 0 3 207.277 0.928 20 0 BCADHN CN(CCNC(=O)c1cnc[nH]1)C1CC1 ZINC000263683918 386166203 /nfs/dbraw/zinc/16/62/03/386166203.db2.gz OGMADWPQDNCZHK-UHFFFAOYSA-N 0 3 208.265 0.234 20 0 BCADHN CO[C@H](C)CCC(=O)N[C@H](C)CN(C)C ZINC000346136080 386166265 /nfs/dbraw/zinc/16/62/65/386166265.db2.gz DIORKHSNOPAXHC-NXEZZACHSA-N 0 3 216.325 0.868 20 0 BCADHN CCOC[C@@H](O)CN1CCN(C)C[C@H]1C(C)C ZINC000425486778 386167202 /nfs/dbraw/zinc/16/72/02/386167202.db2.gz VMWWXYYWLWYMEJ-STQMWFEESA-N 0 3 244.379 0.656 20 0 BCADHN C[C@H](CN(C)C)NC(=O)C1CN(CC(F)F)C1 ZINC000346146100 386167838 /nfs/dbraw/zinc/16/78/38/386167838.db2.gz VPQCIZFQJPEXIP-MRVPVSSYSA-N 0 3 249.305 0.250 20 0 BCADHN C[C@H](CN(C)C)NC(=O)C[C@@H]1CCCO1 ZINC000346155609 386167995 /nfs/dbraw/zinc/16/79/95/386167995.db2.gz ASPVSLOKKOAEDT-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1ccnc(OC)c1 ZINC000340537323 386168596 /nfs/dbraw/zinc/16/85/96/386168596.db2.gz UWWAXJSLICHURR-ONGXEEELSA-N 0 3 240.303 0.748 20 0 BCADHN CC[C@](C)(OC)C(=O)N[C@H](C)CN(C)C ZINC000346146679 386168840 /nfs/dbraw/zinc/16/88/40/386168840.db2.gz VRPDBONJKWTYSS-KOLCDFICSA-N 0 3 216.325 0.868 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CCOC1 ZINC000346219188 386172999 /nfs/dbraw/zinc/17/29/99/386172999.db2.gz KJYKPNUATHXBAT-RKDXNWHRSA-N 0 3 200.282 0.089 20 0 BCADHN COC[C@H](C)CC(=O)N[C@H](C)CN(C)C ZINC000346170566 386174201 /nfs/dbraw/zinc/17/42/01/386174201.db2.gz WJWIOGQEBGTKID-NXEZZACHSA-N 0 3 216.325 0.725 20 0 BCADHN COC1(C(=O)N[C@@H](C)CN(C)C)CCC1 ZINC000346168932 386174258 /nfs/dbraw/zinc/17/42/58/386174258.db2.gz GZIDXIXJXQELPE-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN NC(=O)[C@H]1CCCN1C[C@H](O)C1CCCCC1 ZINC000190333609 386174418 /nfs/dbraw/zinc/17/44/18/386174418.db2.gz VHQYTMVTERUWKX-NEPJUHHUSA-N 0 3 240.347 0.877 20 0 BCADHN COC(=O)CCCN1CC[C@H](O)[C@@H](C)C1 ZINC000164630737 386174925 /nfs/dbraw/zinc/17/49/25/386174925.db2.gz SUBMZYJDRXVKPG-UWVGGRQHSA-N 0 3 215.293 0.642 20 0 BCADHN COC[C@H](O)CN1CCN(C)C[C@H]1C(C)C ZINC000425484071 386176491 /nfs/dbraw/zinc/17/64/91/386176491.db2.gz RXIGLDLIUWUMGD-NEPJUHHUSA-N 0 3 230.352 0.266 20 0 BCADHN COC[C@@H](O)CN1CCN(C)C[C@H]1C(C)C ZINC000425484076 386176588 /nfs/dbraw/zinc/17/65/88/386176588.db2.gz RXIGLDLIUWUMGD-RYUDHWBXSA-N 0 3 230.352 0.266 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000346230729 386179819 /nfs/dbraw/zinc/17/98/19/386179819.db2.gz UAFUAQGATUHOHX-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN Cc1n[nH]c(C(=O)NCC(F)(F)CN)c1C ZINC000275115239 386180016 /nfs/dbraw/zinc/18/00/16/386180016.db2.gz HSPXAVWFLSJZGP-UHFFFAOYSA-N 0 3 232.234 0.350 20 0 BCADHN C/C=C/C=C/C(=O)NCCN(C)CCOC ZINC000263811835 386181121 /nfs/dbraw/zinc/18/11/21/386181121.db2.gz WUTSMOSAGCOODU-YTXTXJHMSA-N 0 3 226.320 0.813 20 0 BCADHN COC[C@@H](C)N1CCC[C@@H](n2ccnn2)C1 ZINC000425499712 386181556 /nfs/dbraw/zinc/18/15/56/386181556.db2.gz JSQXXUHVAUPRPQ-GHMZBOCLSA-N 0 3 224.308 0.950 20 0 BCADHN OCCCCN1CCC[C@@H](n2ccnn2)C1 ZINC000425501340 386182529 /nfs/dbraw/zinc/18/25/29/386182529.db2.gz OBTGFWSEMFZNLT-LLVKDONJSA-N 0 3 224.308 0.688 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1CC[C@H](O)C1 ZINC000346202369 386184047 /nfs/dbraw/zinc/18/40/47/386184047.db2.gz UHNSTQGWMQEETK-UTLUCORTSA-N 0 3 214.309 0.214 20 0 BCADHN CCCCN(CC(N)=O)C[C@@H](O)C(C)(C)C ZINC000340275996 386185804 /nfs/dbraw/zinc/18/58/04/386185804.db2.gz DZUJKOGBUPBKHM-SNVBAGLBSA-N 0 3 230.352 0.981 20 0 BCADHN CNC(=O)CCN1CCC[C@@H](n2ccnn2)C1 ZINC000425503269 386186711 /nfs/dbraw/zinc/18/67/11/386186711.db2.gz RTNFLDKYZQLYAY-SNVBAGLBSA-N 0 3 237.307 0.051 20 0 BCADHN CO[C@H](C)CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000188127225 386188069 /nfs/dbraw/zinc/18/80/69/386188069.db2.gz IFUFEYUXBCEQOQ-MXWKQRLJSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@H]1COCC[C@H]1C(=O)NCCN(C)C1CC1 ZINC000345850105 386126264 /nfs/dbraw/zinc/12/62/64/386126264.db2.gz QIZVWBHFSALJPE-CMPLNLGQSA-N 0 3 240.347 0.869 20 0 BCADHN O=C1NCC[C@@H]1N1CCC2(CCOCC2)CC1 ZINC000334465617 386126744 /nfs/dbraw/zinc/12/67/44/386126744.db2.gz UOAJBVGLQKUDHR-NSHDSACASA-N 0 3 238.331 0.768 20 0 BCADHN C[C@H]1COCC[C@@H]1C(=O)NCCN(C)C1CC1 ZINC000345850106 386126796 /nfs/dbraw/zinc/12/67/96/386126796.db2.gz QIZVWBHFSALJPE-JQWIXIFHSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H](O)CN(CCO)CCO[C@@H]1CCCCO1 ZINC000336729447 386127253 /nfs/dbraw/zinc/12/72/53/386127253.db2.gz XKEOLNKDOZKDGA-NWDGAFQWSA-N 0 3 247.335 0.205 20 0 BCADHN CC[C@H](C(=O)N1CCN(C)CC1)N(CC)CC ZINC000345848727 386127754 /nfs/dbraw/zinc/12/77/54/386127754.db2.gz PZPNBNUDZQPXDI-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CCN(CCO)CCNC(=O)c1cc[nH]c1 ZINC000274604851 386127752 /nfs/dbraw/zinc/12/77/52/386127752.db2.gz XTXOZNNJHIYTOM-UHFFFAOYSA-N 0 3 225.292 0.059 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)NCCN1CC[C@@H](C)C1 ZINC000525804540 386129128 /nfs/dbraw/zinc/12/91/28/386129128.db2.gz AWGWWAYJYUQIEB-GRYCIOLGSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H](O)CCN1CCO[C@]2(CCCOC2)C1 ZINC000425463353 386132624 /nfs/dbraw/zinc/13/26/24/386132624.db2.gz XTXUQJRMCYILMP-VXGBXAGGSA-N 0 3 229.320 0.639 20 0 BCADHN O=C(CN[C@H]1CCC12CCC2)N1CCOCC1 ZINC000334463838 386133191 /nfs/dbraw/zinc/13/31/91/386133191.db2.gz ZXXVDOYQXNUGLM-NSHDSACASA-N 0 3 238.331 0.768 20 0 BCADHN CCN[C@H](C)C(=O)N1C[C@H](COC)O[C@@H](C)C1 ZINC000638294343 386133844 /nfs/dbraw/zinc/13/38/44/386133844.db2.gz OXUPFOWVEFHJSY-HBNTYKKESA-N 0 3 244.335 0.247 20 0 BCADHN CN(CCNC(=O)CCCCC(N)=O)C1CC1 ZINC000338766104 386134331 /nfs/dbraw/zinc/13/43/31/386134331.db2.gz JOKOAKFAKGCPFD-UHFFFAOYSA-N 0 3 241.335 0.243 20 0 BCADHN CNC(=O)NC(=O)CCN1C[C@@H](C)[C@H]1C ZINC000334464955 386137089 /nfs/dbraw/zinc/13/70/89/386137089.db2.gz BYVIZMOHHLODGV-HTQZYQBOSA-N 0 3 213.281 0.172 20 0 BCADHN CO[C@H](CN1CC[C@@H](NC(C)=O)C1)C1CC1 ZINC000425469679 386137177 /nfs/dbraw/zinc/13/71/77/386137177.db2.gz FVLUEGSOYSPDAC-VXGBXAGGSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1n[nH]cc1CNC(=O)N[C@@H](C)CN(C)C ZINC000287610205 386138069 /nfs/dbraw/zinc/13/80/69/386138069.db2.gz PCOIZHARTFHJGU-QMMMGPOBSA-N 0 3 239.323 0.467 20 0 BCADHN CO[C@@H](CN1CC[C@@H](NC(C)=O)C1)C1CC1 ZINC000425469676 386138873 /nfs/dbraw/zinc/13/88/73/386138873.db2.gz FVLUEGSOYSPDAC-NEPJUHHUSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@H](C)CS(=O)(=O)N[C@@H]1CNCC[C@@H]1C ZINC000440842850 386189477 /nfs/dbraw/zinc/18/94/77/386189477.db2.gz LMRAVANHMGYTDI-GARJFASQSA-N 0 3 248.392 0.950 20 0 BCADHN CC(C)[C@](C)(NC(=O)/C=C/CN(C)C)C(N)=O ZINC000287685666 386143613 /nfs/dbraw/zinc/14/36/13/386143613.db2.gz DKGRZEXSOVIVSA-SYTKJHMZSA-N 0 3 241.335 0.120 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1ccncn1 ZINC000275311672 386202409 /nfs/dbraw/zinc/20/24/09/386202409.db2.gz JMPQIONVSZNWGI-UHFFFAOYSA-N 0 3 234.303 0.643 20 0 BCADHN OCCCCN(CCn1cncn1)C1CC1 ZINC000347053895 386206830 /nfs/dbraw/zinc/20/68/30/386206830.db2.gz LGCUKURMVAJBGQ-UHFFFAOYSA-N 0 3 224.308 0.515 20 0 BCADHN COC[C@@H]1CCCN(Cc2c[nH]nn2)C1 ZINC000340284194 386210890 /nfs/dbraw/zinc/21/08/90/386210890.db2.gz GFFWMDCYZGUGKN-SECBINFHSA-N 0 3 210.281 0.663 20 0 BCADHN CCCCN(C)[C@H](C)C(=O)NC(=O)NCC ZINC000057569691 386259789 /nfs/dbraw/zinc/25/97/89/386259789.db2.gz HHKWTYGZNJWDAW-SECBINFHSA-N 0 3 229.324 0.953 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)Nc1ccsc1 ZINC000288540253 386211868 /nfs/dbraw/zinc/21/18/68/386211868.db2.gz FFNQNWXQFNUAIN-QMMMGPOBSA-N 0 3 242.300 0.967 20 0 BCADHN C[C@H](NC(=O)[C@@H](C)[C@@H](N)c1ccccc1)C(N)=O ZINC000131670385 386214930 /nfs/dbraw/zinc/21/49/30/386214930.db2.gz ZSLAOFAOVMTPTG-ATZCPNFKSA-N 0 3 249.314 0.313 20 0 BCADHN CCCNS(=O)(=O)N1CCCN(CC)CC1 ZINC000408359566 386220247 /nfs/dbraw/zinc/22/02/47/386220247.db2.gz VCBBFLSWTCDKFN-UHFFFAOYSA-N 0 3 249.380 0.258 20 0 BCADHN Cc1cc(C(=O)N2CCC[C@H](N(C)C)C2)cnn1 ZINC000276010270 386260075 /nfs/dbraw/zinc/26/00/75/386260075.db2.gz AMXYKHGLLHGFTR-LBPRGKRZSA-N 0 3 248.330 0.951 20 0 BCADHN CCC[C@@H](O)CN(C)CCn1cccn1 ZINC000297472539 386260018 /nfs/dbraw/zinc/26/00/18/386260018.db2.gz LABASVPOBDXWPW-LLVKDONJSA-N 0 3 211.309 0.976 20 0 BCADHN CN(C)C1(CNC(=O)c2cn(C)nn2)CCC1 ZINC000288633647 386223518 /nfs/dbraw/zinc/22/35/18/386223518.db2.gz BLKSRVNSZMOSMF-UHFFFAOYSA-N 0 3 237.307 0.029 20 0 BCADHN CC(C)[C@@H](O)CN1CCCN(C(N)=O)CC1 ZINC000340291651 386224471 /nfs/dbraw/zinc/22/44/71/386224471.db2.gz RKOSPKFRGFJPPF-JTQLQIEISA-N 0 3 229.324 0.090 20 0 BCADHN CC[C@@H](C)N1CCN(C(=O)c2cnc[nH]2)CC1 ZINC000297117475 386226175 /nfs/dbraw/zinc/22/61/75/386226175.db2.gz YMRMBPINKQAWBI-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN CO[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000416120992 386226870 /nfs/dbraw/zinc/22/68/70/386226870.db2.gz IREDTTJITWFHRR-JTQLQIEISA-N 0 3 216.325 0.725 20 0 BCADHN CCCCCN(CCO)CCn1cncn1 ZINC000347044229 386228529 /nfs/dbraw/zinc/22/85/29/386228529.db2.gz DYAVXQHMCOZONU-UHFFFAOYSA-N 0 3 226.324 0.763 20 0 BCADHN CNc1c(Cl)ncnc1N1CC(N(C)C)C1 ZINC000125140747 386228769 /nfs/dbraw/zinc/22/87/69/386228769.db2.gz MZWFSFJUKVYSLY-UHFFFAOYSA-N 0 3 241.726 0.922 20 0 BCADHN CC[C@H](O)CN1CCN(C)[C@H](C)[C@H]1C ZINC000339064565 386231484 /nfs/dbraw/zinc/23/14/84/386231484.db2.gz MNPIWKBDKUGMBJ-MXWKQRLJSA-N 0 3 200.326 0.782 20 0 BCADHN CCOC[C@H](O)CNCc1cncs1 ZINC000157477592 386232743 /nfs/dbraw/zinc/23/27/43/386232743.db2.gz BTKBCKQDTZTGCU-MRVPVSSYSA-N 0 3 216.306 0.630 20 0 BCADHN CN(CCNC(=O)C1=COCCC1)C1CC1 ZINC000264396175 386234273 /nfs/dbraw/zinc/23/42/73/386234273.db2.gz BCIXSXZVDRRBSO-UHFFFAOYSA-N 0 3 224.304 0.891 20 0 BCADHN COC[C@H](NC(=O)[C@@H]1CCCCN1)C1CC1 ZINC000125359122 386240021 /nfs/dbraw/zinc/24/00/21/386240021.db2.gz ZLNIPOWCTQBNEX-QWRGUYRKSA-N 0 3 226.320 0.670 20 0 BCADHN Cn1cncc1CNCCN1CCSCC1 ZINC000226246446 386241681 /nfs/dbraw/zinc/24/16/81/386241681.db2.gz RRZVCGPVTJUMDU-UHFFFAOYSA-N 0 3 240.376 0.559 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2c[nH]cn2)C1 ZINC000264476399 386241868 /nfs/dbraw/zinc/24/18/68/386241868.db2.gz SUXWCNLBQOQDLE-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN CCCCN(C)CCN1CCCS1(=O)=O ZINC000336643980 386242585 /nfs/dbraw/zinc/24/25/85/386242585.db2.gz FEPRMPKKEYGXBM-UHFFFAOYSA-N 0 3 234.365 0.754 20 0 BCADHN Cc1n[nH]cc1CNCC[C@@H](C)[S@](C)=O ZINC000132570530 386244312 /nfs/dbraw/zinc/24/43/12/386244312.db2.gz VZCQNQHZSLUESH-ANRSDYALSA-N 0 3 229.349 0.965 20 0 BCADHN CN(C)C1(CNC(=O)C2=COCCO2)CCC1 ZINC000275852748 386246330 /nfs/dbraw/zinc/24/63/30/386246330.db2.gz ICSUSHGDCUQUTC-UHFFFAOYSA-N 0 3 240.303 0.475 20 0 BCADHN CSCCN(C)CCn1cncn1 ZINC000336642930 386247530 /nfs/dbraw/zinc/24/75/30/386247530.db2.gz CXEPSSZLUOCBHX-UHFFFAOYSA-N 0 3 200.311 0.573 20 0 BCADHN CCN(CCC1(OC)CCC1)CC(N)=O ZINC000339120087 386249725 /nfs/dbraw/zinc/24/97/25/386249725.db2.gz NUODNPOXNIHVNU-UHFFFAOYSA-N 0 3 214.309 0.753 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H](COC)C1CC1 ZINC000125403220 386251191 /nfs/dbraw/zinc/25/11/91/386251191.db2.gz RRBCWYAOAHVXAI-VHSXEESVSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@@H]1CCN(CCN2CCCC2=O)C1 ZINC000336645516 386252188 /nfs/dbraw/zinc/25/21/88/386252188.db2.gz IBODJISUQMHGDC-SNVBAGLBSA-N 0 3 212.293 0.330 20 0 BCADHN Cc1ocnc1CNC(=O)[C@@H](N)C(C)(C)C ZINC000125410507 386253889 /nfs/dbraw/zinc/25/38/89/386253889.db2.gz VOEDXBICDPFGTH-SECBINFHSA-N 0 3 225.292 0.973 20 0 BCADHN C[C@@H]1OCC[C@H]1N[C@@H]1CNCCC1(F)F ZINC000414997245 386191661 /nfs/dbraw/zinc/19/16/61/386191661.db2.gz HGZWCOJWSOXPTM-DJLDLDEBSA-N 0 3 220.263 0.751 20 0 BCADHN CC(C)(N)C(=O)NCc1cccc(CO)c1 ZINC000225420527 386192640 /nfs/dbraw/zinc/19/26/40/386192640.db2.gz RISIKHOSDJYWGD-UHFFFAOYSA-N 0 3 222.288 0.532 20 0 BCADHN c1[nH]nnc1CN1CC[C@]2(CCOC2)C1 ZINC000340279446 386192860 /nfs/dbraw/zinc/19/28/60/386192860.db2.gz OSFGQNRQEOKTKE-JTQLQIEISA-N 0 3 208.265 0.417 20 0 BCADHN CC(C)[C@@H](O)CN(CC(N)=O)C(C)C ZINC000340279053 386192914 /nfs/dbraw/zinc/19/29/14/386192914.db2.gz HDICTKIZAZBGLY-VIFPVBQESA-N 0 3 202.298 0.199 20 0 BCADHN COc1ccncc1CN1C[C@H](C)[C@H](C(N)=O)C1 ZINC000347191421 386258993 /nfs/dbraw/zinc/25/89/93/386258993.db2.gz DOMFYHZOFPXJJR-GXSJLCMTSA-N 0 3 249.314 0.643 20 0 BCADHN CC(C)N1CCCN(C(=O)c2cn[nH]c2)CC1 ZINC000263926940 386194359 /nfs/dbraw/zinc/19/43/59/386194359.db2.gz ZTRWXXDXWFROEI-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN COC(=O)CNC(=O)c1ccc2c(c1)CNC2 ZINC000131109202 386194851 /nfs/dbraw/zinc/19/48/51/386194851.db2.gz DADAISNYLWAEKS-UHFFFAOYSA-N 0 3 234.255 0.193 20 0 BCADHN Cc1cc(C)cc(CN2C[C@H](O)[C@@H](O)C2)c1 ZINC000235847058 386196077 /nfs/dbraw/zinc/19/60/77/386196077.db2.gz DWIGVUWDJVUKPY-STQMWFEESA-N 0 3 221.300 0.841 20 0 BCADHN CN1CC[C@@]2(CCN(C(=O)CCCCO)C2)C1 ZINC000310556900 386198617 /nfs/dbraw/zinc/19/86/17/386198617.db2.gz YTMZDKIYNQQOQR-CYBMUJFWSA-N 0 3 240.347 0.703 20 0 BCADHN Cc1cc(C(=O)NCC2(N(C)C)CC2)on1 ZINC000416287488 386259239 /nfs/dbraw/zinc/25/92/39/386259239.db2.gz DNNQVCBQPRZXJE-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN C[C@@]1(F)CNCCN(c2ncccn2)C1 ZINC000416380749 386282002 /nfs/dbraw/zinc/28/20/02/386282002.db2.gz BJBCMPVXXGNXOC-SNVBAGLBSA-N 0 3 210.256 0.614 20 0 BCADHN C[C@H](O)CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000336662470 386282871 /nfs/dbraw/zinc/28/28/71/386282871.db2.gz ORVRYZHUHUKKNH-CMPLNLGQSA-N 0 3 229.320 0.637 20 0 BCADHN CN(C[C@@H](O)CN(C)C1CC1)c1ccn(C)n1 ZINC000289310577 386282863 /nfs/dbraw/zinc/28/28/63/386282863.db2.gz CPXHJXCLNYFETA-NSHDSACASA-N 0 3 238.335 0.311 20 0 BCADHN OCCCN1CCC[C@H](n2ccnn2)C1 ZINC000425504311 386284472 /nfs/dbraw/zinc/28/44/72/386284472.db2.gz VMEFWSJIBJMNDG-JTQLQIEISA-N 0 3 210.281 0.297 20 0 BCADHN CO[C@]1(C)CCCN(CCn2cncn2)C1 ZINC000336663966 386284785 /nfs/dbraw/zinc/28/47/85/386284785.db2.gz YPDFVMSDPNKRPK-LLVKDONJSA-N 0 3 224.308 0.779 20 0 BCADHN CCOC[C@@H]1CCN([C@H]2CCCNC2=O)C1 ZINC000336663764 386285454 /nfs/dbraw/zinc/28/54/54/386285454.db2.gz DHAFSQJXDWJUFL-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN Cc1n[nH]cc1CNC[C@H]1CC[C@@H](CO)O1 ZINC000292679460 386324348 /nfs/dbraw/zinc/32/43/48/386324348.db2.gz MTTAHEOIFUJXBX-MNOVXSKESA-N 0 3 225.292 0.348 20 0 BCADHN Cn1ccc(CNCCC[S@](C)=O)c1 ZINC000125631276 386286642 /nfs/dbraw/zinc/28/66/42/386286642.db2.gz PLHPSLFSIIVSCP-CQSZACIVSA-N 0 3 214.334 0.883 20 0 BCADHN CS[C@H](C)C(=O)N[C@H](C)CN(C)C ZINC000336664577 386287600 /nfs/dbraw/zinc/28/76/00/386287600.db2.gz XHHOZEOCBMGGRZ-HTQZYQBOSA-N 0 3 204.339 0.804 20 0 BCADHN COC(=O)[C@@H]1CCN(CCn2cncn2)[C@@H]1C ZINC000347223084 386289945 /nfs/dbraw/zinc/28/99/45/386289945.db2.gz KCMMKLKHESBVCJ-NXEZZACHSA-N 0 3 238.291 0.162 20 0 BCADHN CCOC[C@H](C)N[C@H]1CNCCC1(F)F ZINC000415004922 386290193 /nfs/dbraw/zinc/29/01/93/386290193.db2.gz QZMSPFJHSKMXBU-IUCAKERBSA-N 0 3 222.279 0.998 20 0 BCADHN CC[C@@H](CO)N1CCN(CCC(C)(C)O)CC1 ZINC000347290071 386292319 /nfs/dbraw/zinc/29/23/19/386292319.db2.gz VEIRZFHTSNEZQR-LBPRGKRZSA-N 0 3 244.379 0.536 20 0 BCADHN CCN1CCN(C(=O)CN(C)C)[C@H](C)C1 ZINC000334480322 386293390 /nfs/dbraw/zinc/29/33/90/386293390.db2.gz UXTCYWUKKNRCTA-SNVBAGLBSA-N 0 3 213.325 0.101 20 0 BCADHN CC(C)N1CCC[C@H](N(C)CCCO)C1=O ZINC000336668202 386295566 /nfs/dbraw/zinc/29/55/66/386295566.db2.gz RTHMBLKIGBULGB-NSHDSACASA-N 0 3 228.336 0.700 20 0 BCADHN COC1(CCN(C)[C@@H]2COC[C@@H]2O)CCC1 ZINC000339193111 386296263 /nfs/dbraw/zinc/29/62/63/386296263.db2.gz RCQWPHJGAJYCSW-MNOVXSKESA-N 0 3 229.320 0.637 20 0 BCADHN O=C1NC(=O)[C@H]2CCN(C/C=C/Cl)C[C@H]12 ZINC000366303660 386296686 /nfs/dbraw/zinc/29/66/86/386296686.db2.gz ADFHLUXJIJZNLJ-WLXNFVETSA-N 0 3 228.679 0.333 20 0 BCADHN CO[C@H](C)CN1CCSC[C@H]1CO ZINC000336660979 386299401 /nfs/dbraw/zinc/29/94/01/386299401.db2.gz VLZRMFSWRRLEFF-RKDXNWHRSA-N 0 3 205.323 0.431 20 0 BCADHN CC(=O)c1cc(C(=O)N2CCC[C@@H]2CN)n(C)c1 ZINC000236650372 386299702 /nfs/dbraw/zinc/29/97/02/386299702.db2.gz BVKMBWFCNKFZOJ-LLVKDONJSA-N 0 3 249.314 0.791 20 0 BCADHN OC[C@H]1CC[C@@H](CO)N1CCOCC(F)F ZINC000347296976 386299804 /nfs/dbraw/zinc/29/98/04/386299804.db2.gz VNWXWZOAIHGLRS-DTORHVGOSA-N 0 3 239.262 0.086 20 0 BCADHN CC[C@H]1CN(CCn2cncn2)CCCO1 ZINC000336661082 386299877 /nfs/dbraw/zinc/29/98/77/386299877.db2.gz CARFILNEDQBVGJ-NSHDSACASA-N 0 3 224.308 0.779 20 0 BCADHN CCSCCN1CCC(NC(N)=O)CC1 ZINC000081542117 386301831 /nfs/dbraw/zinc/30/18/31/386301831.db2.gz YMUZPTLTCJPPRF-UHFFFAOYSA-N 0 3 231.365 0.872 20 0 BCADHN Cc1ccc([O-])c(CN[C@@H](C)[C@H](C)[NH3+])n1 ZINC000415005648 386304057 /nfs/dbraw/zinc/30/40/57/386304057.db2.gz JJRMMLOLSGBFQZ-IUCAKERBSA-N 0 3 209.293 0.921 20 0 BCADHN CCC[C@H](C)NC(=O)[C@H]1CCCN(CCO)C1 ZINC000081669151 386306678 /nfs/dbraw/zinc/30/66/78/386306678.db2.gz MDALGVONGVYXTG-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CO[C@@H](C)CN1CCC[C@H](n2ccnn2)C1 ZINC000425519007 386308613 /nfs/dbraw/zinc/30/86/13/386308613.db2.gz WBTQKEPNPCKWGR-QWRGUYRKSA-N 0 3 224.308 0.950 20 0 BCADHN 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0 3 243.351 0.805 20 0 BCADHN CCN(C)CCNC(=O)c1nccn2ccnc12 ZINC000266465775 386439602 /nfs/dbraw/zinc/43/96/02/386439602.db2.gz RKHZXMZJASGBNC-UHFFFAOYSA-N 0 3 247.302 0.411 20 0 BCADHN CN(CCN1CCNC1=O)[C@H](CO)C(C)(C)C ZINC000336718803 386439810 /nfs/dbraw/zinc/43/98/10/386439810.db2.gz RDRMJURCVGIJPC-SNVBAGLBSA-N 0 3 243.351 0.350 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000519422759 386441106 /nfs/dbraw/zinc/44/11/06/386441106.db2.gz JTZKXGLIYAJPCC-SDDRHHMPSA-N 0 3 240.347 0.869 20 0 BCADHN CN(C(=O)c1ccon1)C1CCN(C)CC1 ZINC000299440812 386452744 /nfs/dbraw/zinc/45/27/44/386452744.db2.gz XCSVDFLSVHLAFX-UHFFFAOYSA-N 0 3 223.276 0.841 20 0 BCADHN Cc1cn[nH]c1CN1CCC[C@@H](OCCO)C1 ZINC000290492399 386442497 /nfs/dbraw/zinc/44/24/97/386442497.db2.gz RUXRZUUEWPKICA-LLVKDONJSA-N 0 3 239.319 0.691 20 0 BCADHN C[C@H](O)C[C@@H](CNC(=O)CN)c1ccccc1 ZINC000237550909 386389692 /nfs/dbraw/zinc/38/96/92/386389692.db2.gz NCWPHOJNHWQTEK-JQWIXIFHSA-N 0 3 236.315 0.616 20 0 BCADHN 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ZINC000335279869 386395506 /nfs/dbraw/zinc/39/55/06/386395506.db2.gz RBVAVGQPZCHMHU-LLVKDONJSA-N 0 3 246.376 0.752 20 0 BCADHN CCN(CCOCCO)CCc1cnn(C)c1 ZINC000281896424 386397333 /nfs/dbraw/zinc/39/73/33/386397333.db2.gz BGNRKMBJVQWHFU-UHFFFAOYSA-N 0 3 241.335 0.293 20 0 BCADHN COC1CC(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000347419054 386397776 /nfs/dbraw/zinc/39/77/76/386397776.db2.gz RKQOBTFEFQCUKA-NWCKFELBSA-N 0 3 238.331 0.763 20 0 BCADHN CN(C)CCN(C)C(=O)C[C@@](C)(O)C1CC1 ZINC000339382351 386398391 /nfs/dbraw/zinc/39/83/91/386398391.db2.gz SMLHHLDLLKJUIO-GFCCVEGCSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H](NC(=O)CN)c1ccc(-n2cncn2)cc1 ZINC000237623517 386398506 /nfs/dbraw/zinc/39/85/06/386398506.db2.gz DQNDWMZDXOJRJA-VIFPVBQESA-N 0 3 245.286 0.403 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@](C)(O)C1 ZINC000290133692 386398686 /nfs/dbraw/zinc/39/86/86/386398686.db2.gz VFDFBYCPDYDGPQ-NSHDSACASA-N 0 3 209.293 0.685 20 0 BCADHN Cn1cc([C@H](O)CNCc2cccn2C)cn1 ZINC000266128237 386401465 /nfs/dbraw/zinc/40/14/65/386401465.db2.gz CBSMHZOVCJDYCF-GFCCVEGCSA-N 0 3 234.303 0.582 20 0 BCADHN Cc1ocnc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000237653565 386401525 /nfs/dbraw/zinc/40/15/25/386401525.db2.gz WNKAKYJPUJJQCV-YUMQZZPRSA-N 0 3 223.276 0.805 20 0 BCADHN CN(CCCCCO)[C@@H]1CCN(C2CC2)C1=O ZINC000336701771 386403457 /nfs/dbraw/zinc/40/34/57/386403457.db2.gz XDTJELSLBFGOLH-GFCCVEGCSA-N 0 3 240.347 0.844 20 0 BCADHN CN(CCCCCO)[C@H]1CCN(C2CC2)C1=O ZINC000336701780 386405031 /nfs/dbraw/zinc/40/50/31/386405031.db2.gz XDTJELSLBFGOLH-LBPRGKRZSA-N 0 3 240.347 0.844 20 0 BCADHN CN(C)CCN(C)C(=O)c1ncc(F)cc1F ZINC000277074919 386406266 /nfs/dbraw/zinc/40/62/66/386406266.db2.gz IPXRNNHJYCUIHC-UHFFFAOYSA-N 0 3 243.257 0.993 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)NC1CCN(C)CC1 ZINC000408367063 386406859 /nfs/dbraw/zinc/40/68/59/386406859.db2.gz SHJAUCQVVNBCDC-SNVBAGLBSA-N 0 3 243.351 0.493 20 0 BCADHN CSCC(=O)NC1(CN(C)C)CCC1 ZINC000339401033 386408850 /nfs/dbraw/zinc/40/88/50/386408850.db2.gz SQSVWLRGVZCZML-UHFFFAOYSA-N 0 3 216.350 0.950 20 0 BCADHN COCCn1cc(CN[C@@H]2CCCOC2)cn1 ZINC000266191748 386410588 /nfs/dbraw/zinc/41/05/88/386410588.db2.gz IOOAHZXWMYJSSG-GFCCVEGCSA-N 0 3 239.319 0.798 20 0 BCADHN COCCn1cc(CNC[C@@H](O)C2CC2)cn1 ZINC000266219743 386414595 /nfs/dbraw/zinc/41/45/95/386414595.db2.gz RBEKBMRSUQSNAH-GFCCVEGCSA-N 0 3 239.319 0.390 20 0 BCADHN Cc1csc([C@H](NC(=O)CN)C2CC2)n1 ZINC000237819002 386414728 /nfs/dbraw/zinc/41/47/28/386414728.db2.gz RQJDLXJYZRFVNF-SECBINFHSA-N 0 3 225.317 0.978 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCC(=O)N1CCCCC1 ZINC000164904538 386419405 /nfs/dbraw/zinc/41/94/05/386419405.db2.gz MUOSONPXUYVCDN-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H](CNC(=O)c1nccn2ccnc12)N(C)C ZINC000266579626 386451972 /nfs/dbraw/zinc/45/19/72/386451972.db2.gz PQPWILHKHOKXGT-VIFPVBQESA-N 0 3 247.302 0.409 20 0 BCADHN CCOCCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000416957599 386421378 /nfs/dbraw/zinc/42/13/78/386421378.db2.gz KFALYFNACFIOCC-NXEZZACHSA-N 0 3 229.324 0.415 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)[C@H](N)C1CCC1 ZINC000399138799 386422835 /nfs/dbraw/zinc/42/28/35/386422835.db2.gz SWJHJNCPJZRQRX-PSASIEDQSA-N 0 3 242.319 0.381 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)[C@@H](N)C1CCC1 ZINC000399139387 386422954 /nfs/dbraw/zinc/42/29/54/386422954.db2.gz UFSNGBUGTLNZEK-MNOVXSKESA-N 0 3 228.336 0.637 20 0 BCADHN Cc1cc(CNC[C@@H](O)CO)cc2cccnc12 ZINC000347496144 386423223 /nfs/dbraw/zinc/42/32/23/386423223.db2.gz CVAZOJTXOCMZFX-CYBMUJFWSA-N 0 3 246.310 0.986 20 0 BCADHN CN1CCC(NC(=O)C[C@@](C)(O)C2CC2)CC1 ZINC000339431990 386424955 /nfs/dbraw/zinc/42/49/55/386424955.db2.gz KNVDNUJDWIHUEV-CYBMUJFWSA-N 0 3 240.347 0.748 20 0 BCADHN CN(CCN(C)C1CC1)Cc1cc[nH]n1 ZINC000290377319 386426244 /nfs/dbraw/zinc/42/62/44/386426244.db2.gz HWIRKQKJVKWJGH-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN C[C@@H](CO)[C@H](C)N[C@@H](C)C(=O)NC(C)(C)C ZINC000164909103 386427267 /nfs/dbraw/zinc/42/72/67/386427267.db2.gz BYACSGPTMNGPFG-GUBZILKMSA-N 0 3 230.352 0.896 20 0 BCADHN CN(C[C@H]1COCCO1)[C@H]1CCN(C2CC2)C1 ZINC000336712960 386428524 /nfs/dbraw/zinc/42/85/24/386428524.db2.gz SBRCXBKAUYYMBO-STQMWFEESA-N 0 3 240.347 0.570 20 0 BCADHN C[C@@H](C(=O)NC[C@@H]1CCCN1C)n1cccn1 ZINC000299236543 386428853 /nfs/dbraw/zinc/42/88/53/386428853.db2.gz ADKYPNLJDHTYJP-QWRGUYRKSA-N 0 3 236.319 0.655 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000519402956 386429859 /nfs/dbraw/zinc/42/98/59/386429859.db2.gz MGPLAEDULRTXIL-GARJFASQSA-N 0 3 225.336 0.276 20 0 BCADHN Cc1nc(CN[C@@H](C)Cn2cccn2)n[nH]1 ZINC000292607718 386430782 /nfs/dbraw/zinc/43/07/82/386430782.db2.gz WQYPXNLHADJKCY-QMMMGPOBSA-N 0 3 220.280 0.488 20 0 BCADHN CCN(CC)CC(=O)NCc1nncn1CC ZINC000299268667 386431952 /nfs/dbraw/zinc/43/19/52/386431952.db2.gz SUACLYFSKCUIAJ-UHFFFAOYSA-N 0 3 239.323 0.256 20 0 BCADHN Cc1nn(C)cc1CNCCN1CCC1 ZINC000336743557 386432606 /nfs/dbraw/zinc/43/26/06/386432606.db2.gz YGYFUTJXMHNVGD-UHFFFAOYSA-N 0 3 208.309 0.524 20 0 BCADHN O=C1C[C@H]2CC[C@@H](CN1)N2C[C@H]1CCCCO1 ZINC000336715277 386434449 /nfs/dbraw/zinc/43/44/49/386434449.db2.gz UNOXKILMVXUUHN-GRYCIOLGSA-N 0 3 238.331 0.908 20 0 BCADHN CC(C)CCCNC(=O)NC[C@H]1CNCCO1 ZINC000417010911 386436461 /nfs/dbraw/zinc/43/64/61/386436461.db2.gz QQJMYBBOVAXIAY-LLVKDONJSA-N 0 3 243.351 0.710 20 0 BCADHN CN(CCN1CCNC1=O)C[C@@H]1CCCCO1 ZINC000336732029 386470990 /nfs/dbraw/zinc/47/09/90/386470990.db2.gz ZDWDDISTUZDEDL-NSHDSACASA-N 0 3 241.335 0.513 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)NC[C@@H]1CNCCO1 ZINC000417281001 386472588 /nfs/dbraw/zinc/47/25/88/386472588.db2.gz LZIKQBTXYFRDGH-DCAQKATOSA-N 0 3 243.351 0.709 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)COC2CCOCC2)[C@H]1C ZINC000339573645 386473162 /nfs/dbraw/zinc/47/31/62/386473162.db2.gz MCTNGEHKOWGBAU-GRYCIOLGSA-N 0 3 243.347 0.883 20 0 BCADHN CN1CC2(C1)CCN(C(=O)c1cncc(O)c1)C2 ZINC000398814838 386473840 /nfs/dbraw/zinc/47/38/40/386473840.db2.gz MAUJCTSUIZDEER-UHFFFAOYSA-N 0 3 247.298 0.565 20 0 BCADHN CO[C@H](C)CC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000366415068 386475041 /nfs/dbraw/zinc/47/50/41/386475041.db2.gz FWQTVBGLVOTLHN-YPMHNXCESA-N 0 3 240.347 0.966 20 0 BCADHN Cc1nc(C)c(C(=O)NC[C@H](C)N(C)C)o1 ZINC000266864034 386475334 /nfs/dbraw/zinc/47/53/34/386475334.db2.gz VJQGAPMWEXXFAK-ZETCQYMHSA-N 0 3 225.292 0.971 20 0 BCADHN CCOc1ccccc1NC(=O)[C@@H](CN)OC ZINC000227342442 386475915 /nfs/dbraw/zinc/47/59/15/386475915.db2.gz BMVHHJQLHCRWEP-LLVKDONJSA-N 0 3 238.287 0.998 20 0 BCADHN CO[C@H](CN)C(=O)NCc1ccc(C)cc1 ZINC000227345137 386476537 /nfs/dbraw/zinc/47/65/37/386476537.db2.gz GKOAQUGARGGRBX-LLVKDONJSA-N 0 3 222.288 0.585 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1ccc(F)cc1 ZINC000227344657 386476631 /nfs/dbraw/zinc/47/66/31/386476631.db2.gz CQQWTIBNAIYIOF-JTQLQIEISA-N 0 3 226.251 0.416 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)Cc1ccccc1C ZINC000227350235 386479693 /nfs/dbraw/zinc/47/96/93/386479693.db2.gz QTQZGHBVMKDEFU-LBPRGKRZSA-N 0 3 236.315 0.927 20 0 BCADHN CCO[C@@H]1COCC[C@@H]1N[C@H](CC)C(N)=O ZINC000336779094 386480356 /nfs/dbraw/zinc/48/03/56/386480356.db2.gz 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CC[C@@H](C(=O)NCc1ccncn1)N(C)C ZINC000425316876 386567509 /nfs/dbraw/zinc/56/75/09/386567509.db2.gz ZGXUHMYFGCHWGS-JTQLQIEISA-N 0 3 222.292 0.433 20 0 BCADHN Cc1noc(CNC(=O)[C@]2(C)CCCCN2)n1 ZINC000136178944 386568727 /nfs/dbraw/zinc/56/87/27/386568727.db2.gz COWHCLVEVYYRES-NSHDSACASA-N 0 3 238.291 0.526 20 0 BCADHN Cc1cnc(C(=O)NCC2=CCN(C)CC2)o1 ZINC000291708662 386573422 /nfs/dbraw/zinc/57/34/22/386573422.db2.gz HFVDYUYEYZYJSS-UHFFFAOYSA-N 0 3 235.287 0.975 20 0 BCADHN Cc1ccoc1CNC(=O)NCCN(C)C ZINC000292104134 386619537 /nfs/dbraw/zinc/61/95/37/386619537.db2.gz OSJSJGDAURPQDN-UHFFFAOYSA-N 0 3 225.292 0.949 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCOC1)N(C)C ZINC000179228813 386622522 /nfs/dbraw/zinc/62/25/22/386622522.db2.gz KEMINHLCLOEIQF-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425551965 386623625 /nfs/dbraw/zinc/62/36/25/386623625.db2.gz QUUNGFLPPFIDJU-VIFPVBQESA-N 0 3 237.307 0.119 20 0 BCADHN CC(C)CN1CCN(CCO)C[C@H]1C ZINC000022580785 386623855 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AGCKBAFZIANAMI-LBPRGKRZSA-N 0 3 244.379 0.392 20 0 BCADHN C[C@H](CNC(=O)Cc1cncnc1)N(C)C1CC1 ZINC000279338088 386667044 /nfs/dbraw/zinc/66/70/44/386667044.db2.gz DGAUZBWRRCCARA-SNVBAGLBSA-N 0 3 248.330 0.618 20 0 BCADHN C[C@H]1CC[C@H](C)N1CCN1CCCS1(=O)=O ZINC000335524997 386668032 /nfs/dbraw/zinc/66/80/32/386668032.db2.gz HMFCCOWMKAMJFA-QWRGUYRKSA-N 0 3 246.376 0.895 20 0 BCADHN CCOC[C@H](O)CN1CC[C@@H](O)[C@@H](C)C1 ZINC000229573529 386668369 /nfs/dbraw/zinc/66/83/69/386668369.db2.gz CSANPKVWCXVMHM-HBNTYKKESA-N 0 3 217.309 0.087 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000337209386 386669606 /nfs/dbraw/zinc/66/96/06/386669606.db2.gz SBIVVYNLSUWUAQ-IVZWLZJFSA-N 0 3 215.293 0.498 20 0 BCADHN CCOCCNC1(CC(=O)OC)CC1 ZINC000520413093 386669994 /nfs/dbraw/zinc/66/99/94/386669994.db2.gz MUSDBMOTUPNNJR-UHFFFAOYSA-N 0 3 201.266 0.708 20 0 BCADHN CC(C)(CO)[C@@H](NCCO)c1cccnc1 ZINC000647952447 386671961 /nfs/dbraw/zinc/67/19/61/386671961.db2.gz BSMNAQKMJHJQTI-NSHDSACASA-N 0 3 224.304 0.723 20 0 BCADHN CC[C@H]1CCCN1CC(=O)NCCC(=O)OC ZINC000340684321 386674124 /nfs/dbraw/zinc/67/41/24/386674124.db2.gz ARBFGSPULYNYRT-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000365661324 386677068 /nfs/dbraw/zinc/67/70/68/386677068.db2.gz QJUZNQRWPPXTCN-MNOVXSKESA-N 0 3 248.330 0.296 20 0 BCADHN O=C1NC[C@@H]2[C@H]1CCCN2C[C@H]1CCCO1 ZINC000337252826 386679254 /nfs/dbraw/zinc/67/92/54/386679254.db2.gz PCILEDQPUAXRFZ-GMTAPVOTSA-N 0 3 224.304 0.376 20 0 BCADHN C[C@H](O)CN1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000337229029 386679448 /nfs/dbraw/zinc/67/94/48/386679448.db2.gz HKYMEZDRZQAZPX-AXFHLTTASA-N 0 3 215.293 0.247 20 0 BCADHN COC1(C(=O)NC[C@H](C)N(C)C)CCOCC1 ZINC000339830045 386681721 /nfs/dbraw/zinc/68/17/21/386681721.db2.gz KESHNAXSUULIAD-JTQLQIEISA-N 0 3 244.335 0.248 20 0 BCADHN CN(C)CCCNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000457377816 386681720 /nfs/dbraw/zinc/68/17/20/386681720.db2.gz YTZZMPJLGMRTMY-AXFHLTTASA-N 0 3 238.331 0.670 20 0 BCADHN CC(C)n1nccc1CN1CC[C@@H](C(N)=O)C1 ZINC000279626239 386708898 /nfs/dbraw/zinc/70/88/98/386708898.db2.gz KMQKBVJLQANFRX-SNVBAGLBSA-N 0 3 236.319 0.771 20 0 BCADHN CN(C)C/C=C/C(=O)NCCCCCO ZINC000279627974 386711054 /nfs/dbraw/zinc/71/10/54/386711054.db2.gz IHMZCHKNZHGHEY-VOTSOKGWSA-N 0 3 214.309 0.383 20 0 BCADHN CCN(C[C@H]1CCCO1)C(=O)[C@H](N)C(C)C ZINC000042470678 386685110 /nfs/dbraw/zinc/68/51/10/386685110.db2.gz UCSBFYMPXUKYPH-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C(=O)/C=C/CN(C)C ZINC000268881545 386711577 /nfs/dbraw/zinc/71/15/77/386711577.db2.gz LVVRKISTSLYXKC-PVTPVBHGSA-N 0 3 226.320 0.740 20 0 BCADHN C[C@@H](C1CCC1)N(C)CC(=O)N1CCNC1=O ZINC000357015258 386687951 /nfs/dbraw/zinc/68/79/51/386687951.db2.gz YOTHPVSPVWCDKG-VIFPVBQESA-N 0 3 239.319 0.659 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cn2c(n1)CCC2 ZINC000335470657 386688572 /nfs/dbraw/zinc/68/85/72/386688572.db2.gz PZCWBOVIFQAKNQ-VHSXEESVSA-N 0 3 248.330 0.652 20 0 BCADHN C[C@@H]1CC[C@@H](NC2CS(=O)(=O)C2)C1 ZINC000307496864 386689023 /nfs/dbraw/zinc/68/90/23/386689023.db2.gz JKNOEMOTKMYISX-HTQZYQBOSA-N 0 3 203.307 0.562 20 0 BCADHN NC1(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CCC1 ZINC000335470036 386689180 /nfs/dbraw/zinc/68/91/80/386689180.db2.gz NVTPCERSRVZPDN-MNOVXSKESA-N 0 3 238.331 0.942 20 0 BCADHN CO[C@@H]1CCN(CCN2CCO[C@H](C)C2)C1 ZINC000337258142 386692508 /nfs/dbraw/zinc/69/25/08/386692508.db2.gz URPMJCJAYNPMRT-VXGBXAGGSA-N 0 3 228.336 0.428 20 0 BCADHN CCN(CCCO)CCN1CCO[C@@H](C)C1 ZINC000337257289 386692560 /nfs/dbraw/zinc/69/25/60/386692560.db2.gz UDRREOGZPZUWFW-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)C1)CN(C)C ZINC000520586548 386696998 /nfs/dbraw/zinc/69/69/98/386696998.db2.gz CADLSPPMVCSBLC-ZJUUUORDSA-N 0 3 226.320 0.670 20 0 BCADHN CC(C)[C@H](O)C(=O)NC[C@H]1CCCN1C ZINC000352841242 386697276 /nfs/dbraw/zinc/69/72/76/386697276.db2.gz GKQBWCXXSDVPNO-ZJUUUORDSA-N 0 3 214.309 0.214 20 0 BCADHN CC(C)[C@@H](O)C(=O)NC[C@@H]1CCCN1C ZINC000352841241 386697443 /nfs/dbraw/zinc/69/74/43/386697443.db2.gz GKQBWCXXSDVPNO-VHSXEESVSA-N 0 3 214.309 0.214 20 0 BCADHN CC[C@@H](C(=O)N(C)Cc1ccon1)N(C)C ZINC000268807725 386699338 /nfs/dbraw/zinc/69/93/38/386699338.db2.gz CHFCRAMSMPEQRT-JTQLQIEISA-N 0 3 225.292 0.973 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1CO[C@@H](C)C1)N(C)C ZINC000645440032 386700311 /nfs/dbraw/zinc/70/03/11/386700311.db2.gz FKBAECFPGZAXTA-LPEHRKFASA-N 0 3 229.324 0.413 20 0 BCADHN COC(=O)CNC(=O)CN(C)[C@H](C)C1CCC1 ZINC000357040335 386700581 /nfs/dbraw/zinc/70/05/81/386700581.db2.gz OWUCETSRISEITC-SECBINFHSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)[C@H](C)CN1 ZINC000335476483 386701558 /nfs/dbraw/zinc/70/15/58/386701558.db2.gz CQVHMSBQVZEWTC-NXEZZACHSA-N 0 3 248.330 0.652 20 0 BCADHN CO[C@]1(C)C[C@H](N(C)C(=O)[C@H](C)N)C1(C)C ZINC000121651193 386712101 /nfs/dbraw/zinc/71/21/01/386712101.db2.gz MAYXENGUVCNEBM-HOTUBEGUSA-N 0 3 228.336 0.996 20 0 BCADHN C[C@H](CNc1nc(C(N)=O)cs1)N(C)C ZINC000292616856 386704150 /nfs/dbraw/zinc/70/41/50/386704150.db2.gz XGDQGEHOJSRLHC-ZCFIWIBFSA-N 0 3 228.321 0.604 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@@H]1CCCC[C@@H]1O ZINC000647958447 386706583 /nfs/dbraw/zinc/70/65/83/386706583.db2.gz XTIBKJXAWLTJHJ-RYUDHWBXSA-N 0 3 242.363 0.981 20 0 BCADHN Cn1cncc1CN1CCNC[C@](C)(F)C1 ZINC000335480321 386706532 /nfs/dbraw/zinc/70/65/32/386706532.db2.gz NQGMJBBAAMNFLB-NSHDSACASA-N 0 3 226.299 0.554 20 0 BCADHN CN(C)CCNC(=O)CSc1nncs1 ZINC000330479827 386731775 /nfs/dbraw/zinc/73/17/75/386731775.db2.gz OSHNJLXJAVMSJG-UHFFFAOYSA-N 0 3 246.361 0.308 20 0 BCADHN CC[C@H](N)C(=O)NCCN(C)Cc1ccccc1 ZINC000269260660 386732137 /nfs/dbraw/zinc/73/21/37/386732137.db2.gz VNDVEHAONHEKRH-ZDUSSCGKSA-N 0 3 249.358 0.972 20 0 BCADHN CN(C)CCN(C)C(=O)CCc1cnccn1 ZINC000279771947 386733822 /nfs/dbraw/zinc/73/38/22/386733822.db2.gz DXTNEAAJGCISTN-UHFFFAOYSA-N 0 3 236.319 0.429 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@@H]1C=CCCC1 ZINC000335534015 386734063 /nfs/dbraw/zinc/73/40/63/386734063.db2.gz RUYZMVAPGRWPIM-GHMZBOCLSA-N 0 3 224.304 0.590 20 0 BCADHN COCCn1cc(CNC2(CO)CCC2)cn1 ZINC000268993435 386734581 /nfs/dbraw/zinc/73/45/81/386734581.db2.gz WWNQIXSAXMSRIF-UHFFFAOYSA-N 0 3 239.319 0.534 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)C1 ZINC000335533437 386734520 /nfs/dbraw/zinc/73/45/20/386734520.db2.gz NKYGVUYPFQSPHF-QWRGUYRKSA-N 0 3 238.331 0.908 20 0 BCADHN C[C@H]1CC(NC(=O)C(C)(C)N)C[C@H](C)O1 ZINC000335534915 386736572 /nfs/dbraw/zinc/73/65/72/386736572.db2.gz VCLCSEZPVAWRKO-YUMQZZPRSA-N 0 3 214.309 0.796 20 0 BCADHN CC(C)N(C)CC(=O)NC1(CO)CCCC1 ZINC000330489019 386736863 /nfs/dbraw/zinc/73/68/63/386736863.db2.gz ANWRLJSQXDKPGE-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@H]1CCN1Cc1cn(C)c(=O)n(C)c1=O ZINC000292723496 386713096 /nfs/dbraw/zinc/71/30/96/386713096.db2.gz FNNYGNVZCIOLLL-JTQLQIEISA-N 0 3 237.303 0.068 20 0 BCADHN CN(CC(=O)N1CCC1)C1CCC(CO)CC1 ZINC000340693114 386714072 /nfs/dbraw/zinc/71/40/72/386714072.db2.gz AFWMYFNDLPBFHC-UHFFFAOYSA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@@H](C(=O)NCCC1(O)CCC1)N(C)C ZINC000357086655 386715543 /nfs/dbraw/zinc/71/55/43/386715543.db2.gz KQCLPTLAUKPGSF-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CCn1cc(NC(=O)[C@@H]2NCC2(C)C)cn1 ZINC000645443887 386716737 /nfs/dbraw/zinc/71/67/37/386716737.db2.gz WTLIBHRNUWOCIO-VIFPVBQESA-N 0 3 222.292 0.840 20 0 BCADHN CN1CCC[C@@H](N2CC[C@@H](n3cccn3)C2)C1=O ZINC000643396352 386723595 /nfs/dbraw/zinc/72/35/95/386723595.db2.gz CQLSUPAFGWDBNF-VXGBXAGGSA-N 0 3 248.330 0.751 20 0 BCADHN C[C@]1(C(N)=O)CCN(CC2(F)CC2)C1 ZINC000526995256 386724300 /nfs/dbraw/zinc/72/43/00/386724300.db2.gz DVVZBEZBWAADIB-VIFPVBQESA-N 0 3 200.257 0.686 20 0 BCADHN C[C@@H](C(=O)N(C)C[C@@H]1CCCN1C)N(C)C ZINC000643364430 386729229 /nfs/dbraw/zinc/72/92/29/386729229.db2.gz LMKDRCJSLCBGHJ-QWRGUYRKSA-N 0 3 227.352 0.489 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000269066141 386744583 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/nfs/dbraw/zinc/75/61/34/386756134.db2.gz VVJGIBTXMHAIFA-UHFFFAOYSA-N 0 3 239.319 0.705 20 0 BCADHN CN(C)C(=O)[C@@H]1CCN(Cc2ccc(=O)[nH]c2)C1 ZINC000639263331 386757198 /nfs/dbraw/zinc/75/71/98/386757198.db2.gz SFNKQTYETWIDEV-LLVKDONJSA-N 0 3 249.314 0.697 20 0 BCADHN CCCN(CCN(C)C)C(=O)Cn1cccn1 ZINC000344833154 386757526 /nfs/dbraw/zinc/75/75/26/386757526.db2.gz QNJOKYOLYOGINP-UHFFFAOYSA-N 0 3 238.335 0.683 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H]2NCC2(C)C)CCO1 ZINC000645335331 386758134 /nfs/dbraw/zinc/75/81/34/386758134.db2.gz YTWIDFWQTRNIPZ-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1nc(C)c(NC(=O)[C@@H]2C[C@@H](O)CN2)s1 ZINC000269223002 386763661 /nfs/dbraw/zinc/76/36/61/386763661.db2.gz CCHCMPCRILCWTG-SFYZADRCSA-N 0 3 241.316 0.421 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](C)Cn1cncn1 ZINC000269232846 386764379 /nfs/dbraw/zinc/76/43/79/386764379.db2.gz PYOICFILIAYVLN-MWLCHTKSSA-N 0 3 239.323 0.300 20 0 BCADHN CN(C)c1ccc(CNC(=O)C(C)(C)N)cn1 ZINC000269242765 386768497 /nfs/dbraw/zinc/76/84/97/386768497.db2.gz RTIUJOJCDABHSI-UHFFFAOYSA-N 0 3 236.319 0.501 20 0 BCADHN COC(=O)[C@@H](CNC(=O)CN)c1ccccc1 ZINC000269067131 386744150 /nfs/dbraw/zinc/74/41/50/386744150.db2.gz PEKQLDLUURDHNP-JTQLQIEISA-N 0 3 236.271 0.018 20 0 BCADHN CCC[C@H](C(=O)N[C@@H]1CC(=O)N(C)C1)N(C)C ZINC000330508632 386744198 /nfs/dbraw/zinc/74/41/98/386744198.db2.gz AOYLMXDIEKGNNG-NXEZZACHSA-N 0 3 241.335 0.064 20 0 BCADHN CCOC[C@H](O)CN[C@@H](C)c1cnn(C)c1 ZINC000269056419 386744415 /nfs/dbraw/zinc/74/44/15/386744415.db2.gz SIEQBQBSVQSPMY-GXSJLCMTSA-N 0 3 227.308 0.468 20 0 BCADHN CCn1cncc1CNCC1(C(=O)OC)CC1 ZINC000417988269 386791790 /nfs/dbraw/zinc/79/17/90/386791790.db2.gz IOWPMHOEWJTPKO-UHFFFAOYSA-N 0 3 237.303 0.946 20 0 BCADHN COC(=O)[C@@H]1CC12CCN(CCO)CC2 ZINC000340864817 386792924 /nfs/dbraw/zinc/79/29/24/386792924.db2.gz QLVRVWLRFYLENX-VIFPVBQESA-N 0 3 213.277 0.254 20 0 BCADHN C[C@H](NC[C@H]1CC[C@H](CO)O1)c1cnn(C)c1 ZINC000340421376 386796839 /nfs/dbraw/zinc/79/68/39/386796839.db2.gz VOWKPRWSBBHOSR-MVWJERBFSA-N 0 3 239.319 0.611 20 0 BCADHN COC(=O)C1(CNCc2cc(C)nn2C)CC1 ZINC000417983174 386794180 /nfs/dbraw/zinc/79/41/80/386794180.db2.gz BYRZAFWMDCIGBV-UHFFFAOYSA-N 0 3 237.303 0.771 20 0 BCADHN CO[C@@H]1CCN([C@H](C)CN2CCOCC2)C1 ZINC000340877432 386794937 /nfs/dbraw/zinc/79/49/37/386794937.db2.gz SEXROTALEGKNKU-VXGBXAGGSA-N 0 3 228.336 0.428 20 0 BCADHN CN(C)c1cccc(NCc2cnn(C)n2)n1 ZINC000293292165 386795505 /nfs/dbraw/zinc/79/55/05/386795505.db2.gz OYXPMWSSUOIIRA-UHFFFAOYSA-N 0 3 232.291 0.888 20 0 BCADHN CC[C@H]1CCCN1CC(=O)NCC(=O)OC ZINC000330540157 386780648 /nfs/dbraw/zinc/78/06/48/386780648.db2.gz XPTLESOJYYGQHA-VIFPVBQESA-N 0 3 228.292 0.150 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N1CCCC[C@H](C)C1 ZINC000248589927 386781646 /nfs/dbraw/zinc/78/16/46/386781646.db2.gz ZACFOHCPGJKUOK-VHSXEESVSA-N 0 3 241.335 0.953 20 0 BCADHN CN(C[C@@H](O)CN1CC(C(C)(C)O)C1)C1CC1 ZINC000357451562 386783654 /nfs/dbraw/zinc/78/36/54/386783654.db2.gz JWKIMBLKZVAFJQ-GFCCVEGCSA-N 0 3 242.363 0.144 20 0 BCADHN Cc1n[nH]cc1CN1CCC[C@@H](CO)C1 ZINC000269378069 386785936 /nfs/dbraw/zinc/78/59/36/386785936.db2.gz WKFGWPPNLRBECK-SNVBAGLBSA-N 0 3 209.293 0.922 20 0 BCADHN CC[C@](C)(O)CN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000408444779 386786317 /nfs/dbraw/zinc/78/63/17/386786317.db2.gz WCFWCVITTBHXIS-MNOVXSKESA-N 0 3 249.376 0.514 20 0 BCADHN OC[C@@H]1C[C@H](F)CN1C[C@H]1CCCOC1 ZINC000344876355 386786712 /nfs/dbraw/zinc/78/67/12/386786712.db2.gz OEMWEROKCQBLIG-VWYCJHECSA-N 0 3 217.284 0.818 20 0 BCADHN CC(C)(C)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000330612689 386788334 /nfs/dbraw/zinc/78/83/34/386788334.db2.gz RBWZPILTEZEURU-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN Cn1cc(CN2CCC[C@@H](O)CC2)cn1 ZINC000293250430 386788922 /nfs/dbraw/zinc/78/89/22/386788922.db2.gz TWKXKQRVUQZREJ-LLVKDONJSA-N 0 3 209.293 0.767 20 0 BCADHN CC(C)(N)C(=O)NCc1ccc(F)cn1 ZINC000334773605 386824746 /nfs/dbraw/zinc/82/47/46/386824746.db2.gz OVUSMFWOXXSQEB-UHFFFAOYSA-N 0 3 211.240 0.574 20 0 BCADHN Cc1cc(C(=O)NC[C@H](C)N2CCCC2)cnn1 ZINC000527312531 386820435 /nfs/dbraw/zinc/82/04/35/386820435.db2.gz FWJMVSWQALNAGN-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN CS[C@@H]1CN(Cc2c[nH]cn2)C[C@@H]1N(C)C ZINC000280293820 386800523 /nfs/dbraw/zinc/80/05/23/386800523.db2.gz UWMVKZJGTQFTJH-WDEREUQCSA-N 0 3 240.376 0.887 20 0 BCADHN CCc1ccccc1[C@@H](N)CNC(=O)CN ZINC000417841855 386800787 /nfs/dbraw/zinc/80/07/87/386800787.db2.gz UIXDTHSCUOYRJX-NSHDSACASA-N 0 3 221.304 0.324 20 0 BCADHN CO[C@@H]1CN(Cc2ccc(CO)cc2)C[C@H]1O ZINC000395272309 386802152 /nfs/dbraw/zinc/80/21/52/386802152.db2.gz NTPVIONBJXPBEL-CHWSQXEVSA-N 0 3 237.299 0.370 20 0 BCADHN CCN1CCC[C@@H]1CNCc1cnnn1CC ZINC000417848003 386805330 /nfs/dbraw/zinc/80/53/30/386805330.db2.gz RHGSFNIINCYBCI-LLVKDONJSA-N 0 3 237.351 0.872 20 0 BCADHN Cn1cc(CN2CC[C@](C)(C(N)=O)C2)cn1 ZINC000280370619 386809499 /nfs/dbraw/zinc/80/94/99/386809499.db2.gz VFQOPWVXOKHQME-NSHDSACASA-N 0 3 222.292 0.117 20 0 BCADHN CC[C@H](C)NC(=O)CN(C)[C@H](C)C(C)(C)O ZINC000395042019 386809771 /nfs/dbraw/zinc/80/97/71/386809771.db2.gz XWUYYGBTQKCRQW-VHSXEESVSA-N 0 3 230.352 0.992 20 0 BCADHN CCCN(C)CC(=O)NCC(F)(F)CO ZINC000344935551 386809968 /nfs/dbraw/zinc/80/99/68/386809968.db2.gz CQYUOXCSMYASDG-UHFFFAOYSA-N 0 3 224.251 0.072 20 0 BCADHN O=C(CN1CCC(c2ncc[nH]2)CC1)N1CCC1 ZINC000329854467 386811457 /nfs/dbraw/zinc/81/14/57/386811457.db2.gz WKTYLRKKYDMCFX-UHFFFAOYSA-N 0 3 248.330 0.821 20 0 BCADHN CC[C@@H](C(=O)N(C)C1CC(OC)C1)N(C)C ZINC000340919087 386811672 /nfs/dbraw/zinc/81/16/72/386811672.db2.gz MHHWVHSGQLIXKW-ILDUYXDCSA-N 0 3 228.336 0.962 20 0 BCADHN C[C@]1(O)CCCN([C@@H]2CCNC2=O)CC1 ZINC000329926331 386813289 /nfs/dbraw/zinc/81/32/89/386813289.db2.gz WCRBMRZSUQDKKM-KOLCDFICSA-N 0 3 212.293 0.952 20 0 BCADHN Cn1nccc1CCN1C[C@H](O)C(C)(C)C1 ZINC000283217477 386828446 /nfs/dbraw/zinc/82/84/46/386828446.db2.gz SAOTXNDQRKJSTH-NSHDSACASA-N 0 3 223.320 0.665 20 0 BCADHN CC[C@H](CO)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000330685312 386830532 /nfs/dbraw/zinc/83/05/32/386830532.db2.gz LFMYFHLVVKENLC-GMTAPVOTSA-N 0 3 228.336 0.746 20 0 BCADHN Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)n1C ZINC000366555126 386830759 /nfs/dbraw/zinc/83/07/59/386830759.db2.gz LWEFBYGXHHLNLE-UWVGGRQHSA-N 0 3 239.294 0.763 20 0 BCADHN COC[C@@H](O)CNCc1cc(OC)ccc1F ZINC000293531357 386832540 /nfs/dbraw/zinc/83/25/40/386832540.db2.gz JJYXNSZVVZFIBC-JTQLQIEISA-N 0 3 243.278 0.931 20 0 BCADHN C[C@]1(C(=O)N2CCN3CCC[C@@H]3C2)CCCO1 ZINC000334779569 386832652 /nfs/dbraw/zinc/83/26/52/386832652.db2.gz JNFBWYXBFMHSOP-DGCLKSJQSA-N 0 3 238.331 0.862 20 0 BCADHN C[C@@]1(C(=O)N2CCN3CCC[C@@H]3C2)CCCO1 ZINC000334779571 386832960 /nfs/dbraw/zinc/83/29/60/386832960.db2.gz JNFBWYXBFMHSOP-YPMHNXCESA-N 0 3 238.331 0.862 20 0 BCADHN CN(C)CCNC(=O)NCC(C)(C)CCCO ZINC000357720695 386834104 /nfs/dbraw/zinc/83/41/04/386834104.db2.gz IDHVOYIZOYHKRV-UHFFFAOYSA-N 0 3 245.367 0.646 20 0 BCADHN Cc1nnc(CNC(=O)CN(C)C(C)C)n1C ZINC000330698447 386834827 /nfs/dbraw/zinc/83/48/27/386834827.db2.gz GMMBHSWANFEIRG-UHFFFAOYSA-N 0 3 239.323 0.080 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C)[C@@H]1C ZINC000248370827 386835045 /nfs/dbraw/zinc/83/50/45/386835045.db2.gz XZRVCUVZHYGJEB-VGMNWLOBSA-N 0 3 227.308 0.561 20 0 BCADHN COc1ccc(CN2CC[C@](C)(C(N)=O)C2)nc1 ZINC000280667490 386835572 /nfs/dbraw/zinc/83/55/72/386835572.db2.gz FPQSSXALWKSXJF-ZDUSSCGKSA-N 0 3 249.314 0.788 20 0 BCADHN CN(CCNC(=O)CCc1cnccn1)C1CC1 ZINC000280723268 386841505 /nfs/dbraw/zinc/84/15/05/386841505.db2.gz YGJXFMZRVUYYBH-UHFFFAOYSA-N 0 3 248.330 0.620 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NC[C@@H](O)C(C)(C)C ZINC000324305141 386842098 /nfs/dbraw/zinc/84/20/98/386842098.db2.gz XFVYDEBSJGGOQW-RKDXNWHRSA-N 0 3 230.352 0.883 20 0 BCADHN CCN(CC)CC(=O)N1CCOC(C)(C)C1 ZINC000357801709 386846589 /nfs/dbraw/zinc/84/65/89/386846589.db2.gz XFKXHFXMHKZVSL-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CCCCNC(=O)CCN1CCC[C@@H]1C(N)=O ZINC000341158432 386847484 /nfs/dbraw/zinc/84/74/84/386847484.db2.gz DFQNQSMBKDTFRE-SNVBAGLBSA-N 0 3 241.335 0.243 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CCO1 ZINC000331391704 386847650 /nfs/dbraw/zinc/84/76/50/386847650.db2.gz LWQOIERFIAXANI-KXUCPTDWSA-N 0 3 212.293 0.217 20 0 BCADHN C[C@@H]1[C@H](NCc2ncc[nH]2)CCCN1C ZINC000336674650 386847792 /nfs/dbraw/zinc/84/77/92/386847792.db2.gz AGBPPPQHMFHKMZ-NXEZZACHSA-N 0 3 208.309 0.982 20 0 BCADHN CN(C)Cc1ccnc(NCc2cnn(C)n2)c1 ZINC000293620647 386848407 /nfs/dbraw/zinc/84/84/07/386848407.db2.gz MJUYMQDNOPISIL-UHFFFAOYSA-N 0 3 246.318 0.884 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@@H](N)CC(C)C)no1 ZINC000125517559 386848442 /nfs/dbraw/zinc/84/84/42/386848442.db2.gz OAJXUNHGDKUBJC-VIFPVBQESA-N 0 3 240.307 0.710 20 0 BCADHN C[C@H](O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000331403743 386849318 /nfs/dbraw/zinc/84/93/18/386849318.db2.gz AOOUBYGWMBCSGU-ONGXEEELSA-N 0 3 226.320 0.500 20 0 BCADHN CS(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000334789576 386852963 /nfs/dbraw/zinc/85/29/63/386852963.db2.gz XTAJTSRNNBXYSL-UHFFFAOYSA-N 0 3 232.349 0.410 20 0 BCADHN CC[C@]1(O)CCN([C@H]2CCCNC2=O)C1 ZINC000334790996 386855389 /nfs/dbraw/zinc/85/53/89/386855389.db2.gz YZXDAVXPYIUNMV-ONGXEEELSA-N 0 3 212.293 0.112 20 0 BCADHN Cc1ccnc(C(=O)N2CCC[C@H](N(C)C)C2)n1 ZINC000349504168 386856003 /nfs/dbraw/zinc/85/60/03/386856003.db2.gz HOKOVVYIKAMBQE-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN COC[C@@H](O)CCN[C@@H](C)c1ccnn1C ZINC000193063160 386856664 /nfs/dbraw/zinc/85/66/64/386856664.db2.gz ACJZTRJRKBAUEC-UWVGGRQHSA-N 0 3 227.308 0.468 20 0 BCADHN Cc1ccnc(C(=O)N2CCC[C@@H](N(C)C)C2)n1 ZINC000349504163 386856950 /nfs/dbraw/zinc/85/69/50/386856950.db2.gz HOKOVVYIKAMBQE-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN O=C(COC(F)F)NC1CCN(C2CC2)CC1 ZINC000349640965 386893947 /nfs/dbraw/zinc/89/39/47/386893947.db2.gz KIQZOHOLCHDJKO-UHFFFAOYSA-N 0 3 248.273 0.969 20 0 BCADHN O=C1CC[C@@H](NCc2c[nH]cn2)[C@@H](C2CC2)N1 ZINC000341241843 386858111 /nfs/dbraw/zinc/85/81/11/386858111.db2.gz ZZMABBJMGAXAHW-ZYHUDNBSSA-N 0 3 234.303 0.557 20 0 BCADHN O=C1CC[C@@H](NCc2cnc[nH]2)[C@@H](C2CC2)N1 ZINC000341241843 386858117 /nfs/dbraw/zinc/85/81/17/386858117.db2.gz ZZMABBJMGAXAHW-ZYHUDNBSSA-N 0 3 234.303 0.557 20 0 BCADHN C[C@H](CO)CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341193060 386860441 /nfs/dbraw/zinc/86/04/41/386860441.db2.gz GXTADIURPALTLW-GARJFASQSA-N 0 3 243.351 0.397 20 0 BCADHN CO[C@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CC[C@H]1C ZINC000331487689 386861351 /nfs/dbraw/zinc/86/13/51/386861351.db2.gz XYEVRQTYTCZPEI-IMSYWVGJSA-N 0 3 212.293 0.217 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CC[C@@H]1C ZINC000331487693 386861636 /nfs/dbraw/zinc/86/16/36/386861636.db2.gz XYEVRQTYTCZPEI-QCLAVDOMSA-N 0 3 212.293 0.217 20 0 BCADHN CN1CCC(NCc2cc(C(N)=O)co2)CC1 ZINC000341357938 386894200 /nfs/dbraw/zinc/89/42/00/386894200.db2.gz AKQKODHPXYCQPV-UHFFFAOYSA-N 0 3 237.303 0.562 20 0 BCADHN COC(=O)CC1(CN(C)[C@@H]2COC[C@H]2O)CC1 ZINC000331501363 386863923 /nfs/dbraw/zinc/86/39/23/386863923.db2.gz OKFWEYSVMZGNMV-NXEZZACHSA-N 0 3 243.303 0.021 20 0 BCADHN CCS(=O)(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000335744740 386864955 /nfs/dbraw/zinc/86/49/55/386864955.db2.gz AFQZJDQDJNDFKN-MNOVXSKESA-N 0 3 246.376 0.895 20 0 BCADHN CC[C@@H](C(=O)NCc1snnc1C)N(C)C ZINC000293721542 386866639 /nfs/dbraw/zinc/86/66/39/386866639.db2.gz PMHRPARPZMPNNA-QMMMGPOBSA-N 0 3 242.348 0.803 20 0 BCADHN Cc1c([C@H](C)NCCn2cncn2)cnn1C ZINC000330720523 386867525 /nfs/dbraw/zinc/86/75/25/386867525.db2.gz WVYGQOFSTQOBHO-VIFPVBQESA-N 0 3 234.307 0.671 20 0 BCADHN C[C@@H](C(=O)N1CCCCC1)N1CC[C@H](CO)C1 ZINC000051886988 386871717 /nfs/dbraw/zinc/87/17/17/386871717.db2.gz QPDXHONJYMJONJ-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H]1[C@H](NCc2cn(C)nn2)CCCN1C ZINC000336739199 386874732 /nfs/dbraw/zinc/87/47/32/386874732.db2.gz LAFPKBUFNPBGAW-GXSJLCMTSA-N 0 3 223.324 0.387 20 0 BCADHN CC[C@H](CNC(=O)NC[C@H]1CCCN1C)OC ZINC000358006263 386879452 /nfs/dbraw/zinc/87/94/52/386879452.db2.gz SBMFYAJKMSNLCX-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@H](CNC(=O)c1csc(=O)[n-]1)C[NH+](C)C ZINC000341288174 386879688 /nfs/dbraw/zinc/87/96/88/386879688.db2.gz NWOOTKJWOVHBSY-ZETCQYMHSA-N 0 3 243.332 0.776 20 0 BCADHN CCC[C@H](C)CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358054703 386885172 /nfs/dbraw/zinc/88/51/72/386885172.db2.gz KXZQAYWWWLGUJP-WCQYABFASA-N 0 3 242.363 0.996 20 0 BCADHN CCCCCC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358059609 386885861 /nfs/dbraw/zinc/88/58/61/386885861.db2.gz RXPXFARNUYRKBN-LBPRGKRZSA-N 0 3 228.336 0.750 20 0 BCADHN CC(C)[C@H](C)CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358060777 386886028 /nfs/dbraw/zinc/88/60/28/386886028.db2.gz GAOSKLYMABKRSD-YPMHNXCESA-N 0 3 242.363 0.851 20 0 BCADHN CCC[C@H](C)CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358054700 386886367 /nfs/dbraw/zinc/88/63/67/386886367.db2.gz KXZQAYWWWLGUJP-AAEUAGOBSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)(C)[C@@H](NC(=O)[C@@H]1C[C@@H]1N)C(N)=O ZINC000331736071 386886558 /nfs/dbraw/zinc/88/65/58/386886558.db2.gz BBDOXEFKMMPFEU-VQVTYTSYSA-N 0 3 213.281 0.400 20 0 BCADHN Cc1ccncc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358059025 386886753 /nfs/dbraw/zinc/88/67/53/386886753.db2.gz CRZFQJQBLNEYHT-CYBMUJFWSA-N 0 3 249.314 0.186 20 0 BCADHN C[C@@H](C(=O)NC[C@]1(O)CCN(C)C1)C1CC1 ZINC000358059512 386886863 /nfs/dbraw/zinc/88/68/63/386886863.db2.gz DMHGIHQNHAYSNO-BXKDBHETSA-N 0 3 226.320 0.215 20 0 BCADHN Cc1c([C@H](C)NCCC(=O)N(C)C)cnn1C ZINC000330734024 386887183 /nfs/dbraw/zinc/88/71/83/386887183.db2.gz UHSFGMQFHIQXDZ-VIFPVBQESA-N 0 3 238.335 0.857 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400088764 259699354 /nfs/dbraw/zinc/69/93/54/259699354.db2.gz WFIGBLISZGSNKI-KIDURHIOSA-N 0 3 240.347 0.903 20 0 BCADHN CC(C(=O)NC1(C(F)F)CC1)S(C)(=O)=O ZINC000331746109 386890786 /nfs/dbraw/zinc/89/07/86/386890786.db2.gz IDKALQXVZUQHMV-RXMQYKEDSA-N 0 3 241.259 0.333 20 0 BCADHN COC[C@@H](O)CN1CCOCC[C@H]1C ZINC000367862243 386913909 /nfs/dbraw/zinc/91/39/09/386913909.db2.gz UMSDZLTUJNNPLO-ZJUUUORDSA-N 0 3 203.282 0.105 20 0 BCADHN CC1(C)CC[C@@H](CN2CC[C@@H](NC(N)=O)C2)O1 ZINC000335770792 386917180 /nfs/dbraw/zinc/91/71/80/386917180.db2.gz WUXWFNBFZVCMBF-ZJUUUORDSA-N 0 3 241.335 0.687 20 0 BCADHN Cc1cnc(CN2CC[C@H](c3nc[nH]n3)C2)n1C ZINC000425355902 386918733 /nfs/dbraw/zinc/91/87/33/386918733.db2.gz MRTXONBJKWQULI-JTQLQIEISA-N 0 3 246.318 0.836 20 0 BCADHN CC[C@@H](C(=O)N(CC)C[C@H](C)O)N(C)C ZINC000341369844 386895567 /nfs/dbraw/zinc/89/55/67/386895567.db2.gz MAUVGRSGGMJAAS-UWVGGRQHSA-N 0 3 216.325 0.556 20 0 BCADHN CC(C)[C@]1(C)C[C@H]1NC(=O)C(C)S(C)(=O)=O ZINC000331765506 386897212 /nfs/dbraw/zinc/89/72/12/386897212.db2.gz OOSDJAUXWOFQJB-KKZNHRDASA-N 0 3 247.360 0.970 20 0 BCADHN CC[C@H](C(=O)N1CCN(C)C[C@H]1C)N(C)C ZINC000335760902 386898393 /nfs/dbraw/zinc/89/83/93/386898393.db2.gz SWGOYPXHQUUMSQ-GHMZBOCLSA-N 0 3 227.352 0.489 20 0 BCADHN CC[C@@H](C(=O)N1CCN(C)C[C@H]1C)N(C)C ZINC000335760903 386898694 /nfs/dbraw/zinc/89/86/94/386898694.db2.gz SWGOYPXHQUUMSQ-MNOVXSKESA-N 0 3 227.352 0.489 20 0 BCADHN CCN(C[C@H](C)O)C(=O)C1CCN(C)CC1 ZINC000341381906 386900110 /nfs/dbraw/zinc/90/01/10/386900110.db2.gz BOBCMGDQAPDJFN-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN CN(C)CCNC(=O)C[C@](C)(O)C1CC1 ZINC000331790279 386901318 /nfs/dbraw/zinc/90/13/18/386901318.db2.gz UXUNZUNGRVBTIO-NSHDSACASA-N 0 3 214.309 0.215 20 0 BCADHN C[C@H](O)CCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331777364 386901639 /nfs/dbraw/zinc/90/16/39/386901639.db2.gz ORKZQKUMLVRIMG-UWVGGRQHSA-N 0 3 241.335 0.293 20 0 BCADHN CN(C[C@@H]1CCOC1)C(=O)[C@H]1CCCN1C ZINC000334851782 386901939 /nfs/dbraw/zinc/90/19/39/386901939.db2.gz LGAKGIVOZLBTCS-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN OCc1ccnc(N2CC[C@@H](N3CC=CC3)C2)n1 ZINC000341393188 386902019 /nfs/dbraw/zinc/90/20/19/386902019.db2.gz ZZWYYBPRKVDSEM-GFCCVEGCSA-N 0 3 246.314 0.419 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H]1C[C@H]1C ZINC000052289897 386905519 /nfs/dbraw/zinc/90/55/19/386905519.db2.gz XWZNZQKXKXFXMX-CSMHCCOUSA-N 0 3 202.323 0.591 20 0 BCADHN CO[C@H](CNC(=O)CN(C)C(C)C)C1CC1 ZINC000358175518 386907248 /nfs/dbraw/zinc/90/72/48/386907248.db2.gz RTZBGAUPSURZTN-LLVKDONJSA-N 0 3 228.336 0.868 20 0 BCADHN CCCCNC(=O)CCN1CCN(C)C[C@H]1C ZINC000341453400 386907576 /nfs/dbraw/zinc/90/75/76/386907576.db2.gz CMSCULXOYKXIQF-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CC(C)C1(NC(=O)C(C)S(C)(=O)=O)CC1 ZINC000331800419 386908332 /nfs/dbraw/zinc/90/83/32/386908332.db2.gz XCIUCSBGEYVVIY-QMMMGPOBSA-N 0 3 233.333 0.724 20 0 BCADHN CCN(C)CCNC(=O)[C@@]1(C)CCCOC1 ZINC000358178188 386909894 /nfs/dbraw/zinc/90/98/94/386909894.db2.gz VYRUXMYZHUKWSJ-LBPRGKRZSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@H](NC[C@@]1(O)CCN(C)C1)c1cnn(C)c1 ZINC000330889836 386910710 /nfs/dbraw/zinc/91/07/10/386910710.db2.gz VQFORQQNXABONT-JQWIXIFHSA-N 0 3 238.335 0.137 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@H](CC(N)=O)C1 ZINC000368133389 386946863 /nfs/dbraw/zinc/94/68/63/386946863.db2.gz IWXOJZLXXRVHMX-SECBINFHSA-N 0 3 222.292 0.415 20 0 BCADHN CC(C(=O)NC1(C)CCCC1)S(C)(=O)=O ZINC000334820159 386946900 /nfs/dbraw/zinc/94/69/00/386946900.db2.gz ATDFHPOZXIBJBE-MRVPVSSYSA-N 0 3 233.333 0.868 20 0 BCADHN CN(C)CCN(C[C@@H]1CCCO1)C(N)=O ZINC000330905451 386920702 /nfs/dbraw/zinc/92/07/02/386920702.db2.gz ATBSAMNJGGFQBK-VIFPVBQESA-N 0 3 215.297 0.522 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H]1CCCOCC1 ZINC000331914625 386924690 /nfs/dbraw/zinc/92/46/90/386924690.db2.gz UAKZVZWHMXLWOD-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CC(C)[C@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1N ZINC000331946243 386928595 /nfs/dbraw/zinc/92/85/95/386928595.db2.gz SLDRVDOOTKLKSV-ZRUFSTJUSA-N 0 3 226.320 0.511 20 0 BCADHN Cc1csc(CNC[C@@]2(O)CCN(C)C2)n1 ZINC000336762359 386931534 /nfs/dbraw/zinc/93/15/34/386931534.db2.gz LFGFLYRZKPKPQF-NSHDSACASA-N 0 3 241.360 0.608 20 0 BCADHN O=C1[C@H](N2CCC[C@H](O)CC2)CCN1C1CC1 ZINC000334872473 386932590 /nfs/dbraw/zinc/93/25/90/386932590.db2.gz JGWGJCQCTAAPDY-NWDGAFQWSA-N 0 3 238.331 0.597 20 0 BCADHN NS(=O)(=O)CC1CCN(CCC2CC2)CC1 ZINC000331966841 386932873 /nfs/dbraw/zinc/93/28/73/386932873.db2.gz MPIWYEMKNSZKOP-UHFFFAOYSA-N 0 3 246.376 0.787 20 0 BCADHN C[C@@H]1C[C@H](O)CN1Cc1c[nH]c2nccnc12 ZINC000329501871 386933784 /nfs/dbraw/zinc/93/37/84/386933784.db2.gz AHSCKEMOVBUIRQ-SCZZXKLOSA-N 0 3 232.287 0.865 20 0 BCADHN C[C@H](Cn1ccnc1)NC(=O)[C@H]1NCC1(C)C ZINC000645468981 386935822 /nfs/dbraw/zinc/93/58/22/386935822.db2.gz FZRWPULTJXZRTL-NXEZZACHSA-N 0 3 236.319 0.386 20 0 BCADHN C[C@H](Cn1ccnc1)NC(=O)[C@@H]1NCC1(C)C ZINC000645468984 386936410 /nfs/dbraw/zinc/93/64/10/386936410.db2.gz FZRWPULTJXZRTL-ZJUUUORDSA-N 0 3 236.319 0.386 20 0 BCADHN CC(C)[C@@]1(CO)CCN(CC(=O)NC2CC2)C1 ZINC000368063981 386937771 /nfs/dbraw/zinc/93/77/71/386937771.db2.gz OVAPWPCKGUKQSB-ZDUSSCGKSA-N 0 3 240.347 0.605 20 0 BCADHN CC(C)N(C)CC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000334877924 386938851 /nfs/dbraw/zinc/93/88/51/386938851.db2.gz DQVLKDMXRQEOHT-NWDGAFQWSA-N 0 3 241.379 0.878 20 0 BCADHN CC(C)N(C)CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000334877925 386939393 /nfs/dbraw/zinc/93/93/93/386939393.db2.gz DQVLKDMXRQEOHT-RYUDHWBXSA-N 0 3 241.379 0.878 20 0 BCADHN Cn1cc(CNC2(CCO)CCCCC2)nn1 ZINC000341671222 386941610 /nfs/dbraw/zinc/94/16/10/386941610.db2.gz DMSAFOVSFXZQBX-UHFFFAOYSA-N 0 3 238.335 0.990 20 0 BCADHN NS(=O)(=O)[C@H]1CCCN(CCC2CC2)C1 ZINC000332023054 386942129 /nfs/dbraw/zinc/94/21/29/386942129.db2.gz VWOLJRQAQSGFFC-JTQLQIEISA-N 0 3 232.349 0.539 20 0 BCADHN NS(=O)(=O)[C@@H]1CCCN(CCC2CC2)C1 ZINC000332023056 386942760 /nfs/dbraw/zinc/94/27/60/386942760.db2.gz VWOLJRQAQSGFFC-SNVBAGLBSA-N 0 3 232.349 0.539 20 0 BCADHN C[C@]1(F)CCN(CCC(=O)N2CCOCC2)C1 ZINC000334818155 386944811 /nfs/dbraw/zinc/94/48/11/386944811.db2.gz FWUIRZZGIJTEQY-LBPRGKRZSA-N 0 3 244.310 0.669 20 0 BCADHN CC[C@@H](C(=O)NC1(C(=O)OC)CCC1)N(C)C ZINC000332064728 386953246 /nfs/dbraw/zinc/95/32/46/386953246.db2.gz REBQWFASSYXHJM-VIFPVBQESA-N 0 3 242.319 0.539 20 0 BCADHN CO[C@@H]1C[C@H](NC[C@H](C)S(C)(=O)=O)C1(C)C ZINC000332064630 386954367 /nfs/dbraw/zinc/95/43/67/386954367.db2.gz RDQBVDPHTRSGAJ-LPEHRKFASA-N 0 3 249.376 0.823 20 0 BCADHN CC[C@H](N[C@H]1CCNC1=O)[C@H]1CCCO1 ZINC000248553369 386955968 /nfs/dbraw/zinc/95/59/68/386955968.db2.gz ANUSKXWDJAHWSF-LPEHRKFASA-N 0 3 212.293 0.422 20 0 BCADHN CC(C(=O)N1C[C@@H](C)[C@@H]1C)S(C)(=O)=O ZINC000332074558 386957483 /nfs/dbraw/zinc/95/74/83/386957483.db2.gz XTDIMQPDKRUFOM-CSMHCCOUSA-N 0 3 219.306 0.286 20 0 BCADHN C[C@H](Cn1c(=O)onc1-c1ccccn1)N(C)C ZINC000331088731 386958845 /nfs/dbraw/zinc/95/88/45/386958845.db2.gz SIOBIJQQPUMNPY-SECBINFHSA-N 0 3 248.286 0.848 20 0 BCADHN CCCNC(=O)CN1CC[C@H](CO)[C@H]1C ZINC000395176439 386960725 /nfs/dbraw/zinc/96/07/25/386960725.db2.gz JEEHMJGMCKYWGO-NXEZZACHSA-N 0 3 214.309 0.215 20 0 BCADHN CSC1(CNC(=O)[C@@H]2C[C@@H]2N)CCOCC1 ZINC000332111593 386961053 /nfs/dbraw/zinc/96/10/53/386961053.db2.gz FGLLBWBBUBRVBZ-BDAKNGLRSA-N 0 3 244.360 0.362 20 0 BCADHN CC[C@@H](N[C@H]1COC(C)(C)C1)C(=O)NC ZINC000418116644 386963491 /nfs/dbraw/zinc/96/34/91/386963491.db2.gz QUYQLGZLJPYNKX-RKDXNWHRSA-N 0 3 214.309 0.668 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 ZINC000368736479 387007527 /nfs/dbraw/zinc/00/75/27/387007527.db2.gz SDOLDQUZWITFNG-GHMZBOCLSA-N 0 3 236.319 0.201 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@@H]1C[C@H]1C(F)F ZINC000358497441 386965575 /nfs/dbraw/zinc/96/55/75/386965575.db2.gz JKDODDZEEJBPIF-BWZBUEFSSA-N 0 3 235.278 0.889 20 0 BCADHN CN1CCC[C@H](N2CC[C@@H](O)C(C)(C)C2)C1=O ZINC000526087930 386965673 /nfs/dbraw/zinc/96/56/73/386965673.db2.gz URYKBRAYXQEXLD-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@@]1(C)CCOC1 ZINC000358494522 386965683 /nfs/dbraw/zinc/96/56/83/386965683.db2.gz BNAAQPWKUBAYRB-KOLCDFICSA-N 0 3 229.324 0.415 20 0 BCADHN CC[C@]1(C)C[C@@H]1C(=O)NC[C@H]1CNCCO1 ZINC000332191347 386966189 /nfs/dbraw/zinc/96/61/89/386966189.db2.gz ZIWYGRDFHJLRBH-CKYFFXLPSA-N 0 3 226.320 0.527 20 0 BCADHN CC[C@H](O)CCNC(=O)N[C@@H](C)CN(C)C ZINC000358501034 386966191 /nfs/dbraw/zinc/96/61/91/386966191.db2.gz NFEXXCTZIULIQY-UWVGGRQHSA-N 0 3 231.340 0.397 20 0 BCADHN CO[C@@H](C)CN(C(=O)[C@H](CN)OC)C(C)C ZINC000352915390 386966992 /nfs/dbraw/zinc/96/69/92/386966992.db2.gz OQWRKVFAILRXTE-UWVGGRQHSA-N 0 3 232.324 0.232 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(C)[C@H]1CCC[C@H]1O ZINC000358501815 386968241 /nfs/dbraw/zinc/96/82/41/386968241.db2.gz OJVCDZFGYMZFAW-OUAUKWLOSA-N 0 3 243.351 0.491 20 0 BCADHN C[C@H]1[C@H](CO)CCCN1CC(=O)NC1CC1 ZINC000332219098 386968324 /nfs/dbraw/zinc/96/83/24/386968324.db2.gz XOVFHIJAGKJUAD-UWVGGRQHSA-N 0 3 226.320 0.358 20 0 BCADHN CCN(CCOC)C(=O)N[C@@H](C)CN(C)C ZINC000358501821 386968373 /nfs/dbraw/zinc/96/83/73/386968373.db2.gz OKIYRJAHLVQFRO-JTQLQIEISA-N 0 3 231.340 0.614 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)[C@H]1CCCOC1 ZINC000358503376 386968746 /nfs/dbraw/zinc/96/87/46/386968746.db2.gz QEQLBEMEGJIQKT-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000368390648 386968747 /nfs/dbraw/zinc/96/87/47/386968747.db2.gz BECVAMHUARVBKE-VWYCJHECSA-N 0 3 242.319 0.434 20 0 BCADHN CO[C@H](C)CN(C)C(=O)N[C@H](C)CN(C)C ZINC000358502789 386969267 /nfs/dbraw/zinc/96/92/67/386969267.db2.gz PNFKYAXCEBACJC-NXEZZACHSA-N 0 3 231.340 0.613 20 0 BCADHN C[C@]1(CNC(=O)C(N)C(F)(F)F)CCOC1 ZINC000352922417 386969297 /nfs/dbraw/zinc/96/92/97/386969297.db2.gz OQVKXRBCITVYTN-HTRCEHHLSA-N 0 3 240.225 0.419 20 0 BCADHN C[C@@H](CNC(=O)C(N)C(F)(F)F)C[C@H](C)O ZINC000352940849 386970233 /nfs/dbraw/zinc/97/02/33/386970233.db2.gz GRXXWJBWZFSHHW-VQVTYTSYSA-N 0 3 242.241 0.399 20 0 BCADHN CC[C@H]1COCCN1C(=O)N[C@@H](C)CN(C)C ZINC000358522348 386970481 /nfs/dbraw/zinc/97/04/81/386970481.db2.gz KHSAHNSHWLYOFX-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000352939776 386970574 /nfs/dbraw/zinc/97/05/74/386970574.db2.gz FHRXPSUJWXRELF-VHSXEESVSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@H](O)CCCNC(=O)N[C@@H](C)CN(C)C ZINC000358514891 386970864 /nfs/dbraw/zinc/97/08/64/386970864.db2.gz AKMLQOGGJRZNRV-UWVGGRQHSA-N 0 3 231.340 0.397 20 0 BCADHN CO[C@@H]1CCN(C(=O)N[C@H](C)CN(C)C)C1 ZINC000358516131 386971773 /nfs/dbraw/zinc/97/17/73/386971773.db2.gz HUQUWRYFGBCEFF-NXEZZACHSA-N 0 3 229.324 0.367 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCC1(O)CCC1 ZINC000358529796 386972766 /nfs/dbraw/zinc/97/27/66/386972766.db2.gz RDJLHIZUFQFTFK-VIFPVBQESA-N 0 3 229.324 0.151 20 0 BCADHN COC[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000352947476 386972835 /nfs/dbraw/zinc/97/28/35/386972835.db2.gz RHSACHIOQYUGGQ-NKWVEPMBSA-N 0 3 240.225 0.371 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000358523491 386973192 /nfs/dbraw/zinc/97/31/92/386973192.db2.gz LLKKLASRMDKBKU-MXWKQRLJSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@H](N)C(=O)Nc1c2c(nn1C)CCCC2 ZINC000638991461 386973316 /nfs/dbraw/zinc/97/33/16/386973316.db2.gz ZLOGLIHRJKTJLY-ZETCQYMHSA-N 0 3 222.292 0.585 20 0 BCADHN COC[C@@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000352947478 386973711 /nfs/dbraw/zinc/97/37/11/386973711.db2.gz RHSACHIOQYUGGQ-RQJHMYQMSA-N 0 3 240.225 0.371 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(C)C[C@H]1CCOC1 ZINC000358526135 386973907 /nfs/dbraw/zinc/97/39/07/386973907.db2.gz OHKZQCKDNNWEIJ-GHMZBOCLSA-N 0 3 243.351 0.614 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)[C@H]1CCOC1 ZINC000358523608 386974044 /nfs/dbraw/zinc/97/40/44/386974044.db2.gz LYGQXWLHFMSZPL-UWVGGRQHSA-N 0 3 229.324 0.367 20 0 BCADHN CN(CCC1OCCO1)[C@@H]1CCCCNC1=O ZINC000368435735 386974102 /nfs/dbraw/zinc/97/41/02/386974102.db2.gz NIEIEDWJPRUMAV-SNVBAGLBSA-N 0 3 242.319 0.350 20 0 BCADHN COC[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000352947475 386974164 /nfs/dbraw/zinc/97/41/64/386974164.db2.gz RHSACHIOQYUGGQ-BQBZGAKWSA-N 0 3 240.225 0.371 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCOC[C@H]1CC(C)C ZINC000352947408 386974366 /nfs/dbraw/zinc/97/43/66/386974366.db2.gz QSWPQGXSLAACDY-MNOVXSKESA-N 0 3 244.335 0.234 20 0 BCADHN CCC[C@@H]1CCCN(C(=O)[C@H](CN)OC)C1 ZINC000352947691 386974634 /nfs/dbraw/zinc/97/46/34/386974634.db2.gz YNFQQWNYWSWKEZ-MNOVXSKESA-N 0 3 228.336 0.999 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC000368460009 386975383 /nfs/dbraw/zinc/97/53/83/386975383.db2.gz YEJWXWCGGDENPX-SECBINFHSA-N 0 3 236.319 0.507 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCC1=CCCOC1 ZINC000358536086 386976004 /nfs/dbraw/zinc/97/60/04/386976004.db2.gz YAQROZQYHBGVJT-SNVBAGLBSA-N 0 3 241.335 0.582 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000352960141 386976486 /nfs/dbraw/zinc/97/64/86/386976486.db2.gz XUKKUTBNTPMHGB-VXGBXAGGSA-N 0 3 240.347 0.698 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CCO[C@@H](C)[C@H]1C ZINC000358535715 386976831 /nfs/dbraw/zinc/97/68/31/386976831.db2.gz XQZAXIHUVMIJFG-MXWKQRLJSA-N 0 3 243.351 0.755 20 0 BCADHN CC(C)NC(=O)NCCN(C)CC(C)(C)CO ZINC000514598607 387008054 /nfs/dbraw/zinc/00/80/54/387008054.db2.gz DDPBWSCYGARULL-UHFFFAOYSA-N 0 3 245.367 0.644 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC000331166356 386979475 /nfs/dbraw/zinc/97/94/75/386979475.db2.gz TWPKGKHTTDZUGG-SECBINFHSA-N 0 3 227.308 0.854 20 0 BCADHN C[C@H](NCC1(CO)CCC1)c1ccc(=O)[nH]n1 ZINC000332450131 386980207 /nfs/dbraw/zinc/98/02/07/386980207.db2.gz FWTYATBYWXLXPA-VIFPVBQESA-N 0 3 237.303 0.995 20 0 BCADHN CCOCCNC(=O)CN1CC[C@@H](C)C1 ZINC000341879539 386981212 /nfs/dbraw/zinc/98/12/12/386981212.db2.gz UBJIFPDTGSUSFQ-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN C[C@@H](N)C(=O)N1CCOC[C@@H]1c1ccco1 ZINC000368498199 386981845 /nfs/dbraw/zinc/98/18/45/386981845.db2.gz FUVFAGNGNLTNPC-RKDXNWHRSA-N 0 3 224.260 0.527 20 0 BCADHN CN[C@@H](C)C(=O)NCC1(SC)CCOCC1 ZINC000519000078 386982334 /nfs/dbraw/zinc/98/23/34/386982334.db2.gz SMFIKCGZCYIRBW-VIFPVBQESA-N 0 3 246.376 0.623 20 0 BCADHN COC(=O)CNC(=O)CN1CCCCC[C@@H]1C ZINC000358577872 386982568 /nfs/dbraw/zinc/98/25/68/386982568.db2.gz LBSOMPWFZTWUFW-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN COC[C@H](N[C@@H](C)C(=O)N(C)C)[C@@H]1CCCO1 ZINC000331228669 386983121 /nfs/dbraw/zinc/98/31/21/386983121.db2.gz GQPLOHMRUUAMCA-DCAQKATOSA-N 0 3 244.335 0.247 20 0 BCADHN CC(C)(O)CCN1CCCC[C@H]1C(=N)NO ZINC000368526075 386985038 /nfs/dbraw/zinc/98/50/38/386985038.db2.gz RFSQTFBAKKTZQZ-VIFPVBQESA-N 0 3 229.324 0.958 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@H](CCO)CC(C)C ZINC000353007870 386985863 /nfs/dbraw/zinc/98/58/63/386985863.db2.gz ZEPBAZLLKABZBK-MNOVXSKESA-N 0 3 246.351 0.121 20 0 BCADHN CCO[C@@H](CCNC(=O)[C@@H](CN)OC)C(C)C ZINC000353008580 386986134 /nfs/dbraw/zinc/98/61/34/386986134.db2.gz DFFMXSDVRAENKV-WDEREUQCSA-N 0 3 246.351 0.528 20 0 BCADHN COC(=O)C(C)(C)N(C)C(=O)CN(C)C(C)C ZINC000341868322 386988603 /nfs/dbraw/zinc/98/86/03/386988603.db2.gz HEWSIJBKUOZGRJ-UHFFFAOYSA-N 0 3 244.335 0.737 20 0 BCADHN CO[C@H](C)CC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000368587585 386988881 /nfs/dbraw/zinc/98/88/81/386988881.db2.gz DDFQWLBSALUYJO-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN CO[C@H](C)CC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000368587586 386989931 /nfs/dbraw/zinc/98/99/31/386989931.db2.gz DDFQWLBSALUYJO-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN CC1(C)CN(CCN2CCNC2=O)CCCO1 ZINC000368567191 386990088 /nfs/dbraw/zinc/99/00/88/386990088.db2.gz LQDPUNHKOCKIJK-UHFFFAOYSA-N 0 3 241.335 0.513 20 0 BCADHN CC[C@@H](NC(=O)CN(CC)CC)C(C)(C)O ZINC000358634826 386990524 /nfs/dbraw/zinc/99/05/24/386990524.db2.gz OXASODQJFSEADE-SNVBAGLBSA-N 0 3 230.352 0.994 20 0 BCADHN CN(CCCCCF)[C@@H]1CCNC1=O ZINC000341912367 386990974 /nfs/dbraw/zinc/99/09/74/386990974.db2.gz QCFPAOVVPVWIJO-SECBINFHSA-N 0 3 202.273 0.947 20 0 BCADHN CN(C)CC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000368592154 386991527 /nfs/dbraw/zinc/99/15/27/386991527.db2.gz PMQFJOGHOPYBTP-GHMZBOCLSA-N 0 3 225.336 0.101 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@@H]2CO[C@@H](C)C2)C1 ZINC000525893605 386992288 /nfs/dbraw/zinc/99/22/88/386992288.db2.gz KXIHMFZNOKXBDW-WOPDTQHZSA-N 0 3 240.347 0.869 20 0 BCADHN CO[C@H](C)CC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000368587584 386992580 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234.303 0.132 20 0 BCADHN Cc1noc(NC(=O)N2CCNC(C)(C)C2)n1 ZINC000333197955 387021185 /nfs/dbraw/zinc/02/11/85/387021185.db2.gz UPQWPPUOYXNXHJ-UHFFFAOYSA-N 0 3 239.279 0.016 20 0 BCADHN CC[C@@H](C(=O)N(CC)[C@H](C)CO)N(C)C ZINC000358844227 387021511 /nfs/dbraw/zinc/02/15/11/387021511.db2.gz CWTLVSDLPFWSFD-ZJUUUORDSA-N 0 3 216.325 0.556 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@H]1CC(=O)N(C)C1 ZINC000425365185 387022293 /nfs/dbraw/zinc/02/22/93/387022293.db2.gz XXYCWFKFKQQADA-XHNCKOQMSA-N 0 3 214.334 0.701 20 0 BCADHN CC(=O)CCN1CCCN([C@H](C)CO)CC1 ZINC000368966115 387023248 /nfs/dbraw/zinc/02/32/48/387023248.db2.gz XLQFSDCTEIQBOE-LLVKDONJSA-N 0 3 228.336 0.354 20 0 BCADHN O=C1NC[C@]2(CCCN(C[C@@H]3CCCO3)C2)O1 ZINC000369030937 387023828 /nfs/dbraw/zinc/02/38/28/387023828.db2.gz NJPHOZXPPQLBFA-JQWIXIFHSA-N 0 3 240.303 0.740 20 0 BCADHN Cc1ccc(CN2C[C@@H](O)C[C@H]2CO)c(C)n1 ZINC000369018265 387024771 /nfs/dbraw/zinc/02/47/71/387024771.db2.gz LDFJSNLVJQITRM-STQMWFEESA-N 0 3 236.315 0.626 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@H]1CC[C@@H]1SC ZINC000425369807 387025821 /nfs/dbraw/zinc/02/58/21/387025821.db2.gz MQYKGAIJUMWNHC-QEYWKRMJSA-N 0 3 217.334 0.884 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@H]1CC[C@H]1SC ZINC000425369806 387026870 /nfs/dbraw/zinc/02/68/70/387026870.db2.gz MQYKGAIJUMWNHC-AXTSPUMRSA-N 0 3 217.334 0.884 20 0 BCADHN CC[C@@H](CO)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000188535014 387028164 /nfs/dbraw/zinc/02/81/64/387028164.db2.gz KQXAFKBAJDSPET-UWVGGRQHSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@H](O)CN1CCCC[C@H]1C(=O)N1CCCC1 ZINC000369186376 387028389 /nfs/dbraw/zinc/02/83/89/387028389.db2.gz CMOUKVMASMXFJT-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](O)CN1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000369186375 387029353 /nfs/dbraw/zinc/02/93/53/387029353.db2.gz CMOUKVMASMXFJT-NWDGAFQWSA-N 0 3 240.347 0.844 20 0 BCADHN CN(CCN(C)C1CC1)CC(=O)NCC1CC1 ZINC000186735533 387130238 /nfs/dbraw/zinc/13/02/38/387130238.db2.gz GOJODGCREVKDLA-UHFFFAOYSA-N 0 3 239.363 0.539 20 0 BCADHN CN(CCN(C)C1CC1)CC(=O)NC(C)(C)C ZINC000186734086 387130279 /nfs/dbraw/zinc/13/02/79/387130279.db2.gz BRVYDTBDKVIFSC-UHFFFAOYSA-N 0 3 241.379 0.927 20 0 BCADHN CS[C@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC000336237015 387073559 /nfs/dbraw/zinc/07/35/59/387073559.db2.gz DXAZMKMDACIXKX-IUCAKERBSA-N 0 3 214.334 0.654 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1CCCC[C@H]1O ZINC000333900904 387074604 /nfs/dbraw/zinc/07/46/04/387074604.db2.gz SSWYJYPFTJNKBY-LMLFDSFASA-N 0 3 215.293 0.293 20 0 BCADHN COCCNCCNC(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000418044294 387075730 /nfs/dbraw/zinc/07/57/30/387075730.db2.gz ATDBTZRINVYDAJ-GHMZBOCLSA-N 0 3 243.351 0.710 20 0 BCADHN Cc1cccnc1NC(=O)CCOC1CNC1 ZINC000520802387 387078158 /nfs/dbraw/zinc/07/81/58/387078158.db2.gz LLRMLSTYPKZKEO-UHFFFAOYSA-N 0 3 235.287 0.707 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1 ZINC000334990247 387079209 /nfs/dbraw/zinc/07/92/09/387079209.db2.gz GBKPRMUWPKCZIX-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN O=C(CO)N1CCC[C@@H]1CN1CCCCC1 ZINC000336242837 387079858 /nfs/dbraw/zinc/07/98/58/387079858.db2.gz BBFIMEHPYRDIOV-LLVKDONJSA-N 0 3 226.320 0.456 20 0 BCADHN CCCC[C@H](N)C(=O)N1CCN(C)C[C@H]1C ZINC000228329753 387080997 /nfs/dbraw/zinc/08/09/97/387080997.db2.gz MIVYOKMNSPYMCG-MNOVXSKESA-N 0 3 227.352 0.666 20 0 BCADHN CC[C@H](C(=O)N1CCN2CCC1CC2)[C@@H](C)O ZINC000334992946 387082073 /nfs/dbraw/zinc/08/20/73/387082073.db2.gz RZEAFVIEIDVQLN-PWSUYJOCSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)N(C)C(=O)CN1C[C@H]2CCC[C@@H](C1)N2 ZINC000334993211 387082227 /nfs/dbraw/zinc/08/22/27/387082227.db2.gz VUMGNQRLVVWETJ-TXEJJXNPSA-N 0 3 239.363 0.680 20 0 BCADHN COC[C@H](NC[C@H](C)OC)[C@H]1CCCO1 ZINC000336765807 387083524 /nfs/dbraw/zinc/08/35/24/387083524.db2.gz REPMDWXHRQRJRA-GARJFASQSA-N 0 3 217.309 0.805 20 0 BCADHN N[C@@H](CNS(=O)(=O)C1CC1)c1ccccc1 ZINC000070910040 387085138 /nfs/dbraw/zinc/08/51/38/387085138.db2.gz LDZDDZUSBYXYAK-NSHDSACASA-N 0 3 240.328 0.768 20 0 BCADHN C[C@H]1[C@@H](C(=O)N(C)CCN(C)C)C1(F)F ZINC000359329793 387085266 /nfs/dbraw/zinc/08/52/66/387085266.db2.gz LGXOKSLRDDYKLV-YUMQZZPRSA-N 0 3 220.263 0.908 20 0 BCADHN C[NH+](C)C[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000111740054 387086953 /nfs/dbraw/zinc/08/69/53/387086953.db2.gz KIHKBVFKUYJENH-NSHDSACASA-N 0 3 249.314 0.953 20 0 BCADHN CCn1cncc1CN(C)CCN(C)C ZINC000418075881 387088139 /nfs/dbraw/zinc/08/81/39/387088139.db2.gz ZWZOUXZGBPRWOC-UHFFFAOYSA-N 0 3 210.325 0.896 20 0 BCADHN Cc1nc2n(n1)C[C@H](NCC1(F)CC1)CC2 ZINC000309721402 387131027 /nfs/dbraw/zinc/13/10/27/387131027.db2.gz WCIWAKCGMAPPOV-SECBINFHSA-N 0 3 224.283 0.993 20 0 BCADHN CC(C)=CCCNC(=O)NC[C@@H]1CNCCO1 ZINC000418078466 387089357 /nfs/dbraw/zinc/08/93/57/387089357.db2.gz JIZSDZMHZMTVFT-NSHDSACASA-N 0 3 241.335 0.630 20 0 BCADHN CC[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)N(C)C ZINC000186764301 387131149 /nfs/dbraw/zinc/13/11/49/387131149.db2.gz HXJJMZZILBCUDG-GFCCVEGCSA-N 0 3 241.379 0.879 20 0 BCADHN CC[C@H](C(=O)N(C)CCN(C)C1CC1)N(C)C ZINC000186764301 387131156 /nfs/dbraw/zinc/13/11/56/387131156.db2.gz HXJJMZZILBCUDG-GFCCVEGCSA-N 0 3 241.379 0.879 20 0 BCADHN Cn1nccc1CNC[C@@H]1CC[C@H](O)C1 ZINC000188836460 387094164 /nfs/dbraw/zinc/09/41/64/387094164.db2.gz ZRTJTUVKPVODRN-KOLCDFICSA-N 0 3 209.293 0.671 20 0 BCADHN COCCCNC(=O)[C@H](C)N[C@@H](C)[C@@H](C)CO ZINC000228591209 387095700 /nfs/dbraw/zinc/09/57/00/387095700.db2.gz WKHWUDLGLIFJOD-DCAQKATOSA-N 0 3 246.351 0.134 20 0 BCADHN CSC[C@H](O)CN1CCC[C@H]2COC[C@H]21 ZINC000370224475 387097620 /nfs/dbraw/zinc/09/76/20/387097620.db2.gz JEUKFXFOWJWCGD-HBNTYKKESA-N 0 3 231.361 0.821 20 0 BCADHN CN(C[C@H](O)COC(C)(C)C)[C@H]1CCOC1 ZINC000359404827 387098446 /nfs/dbraw/zinc/09/84/46/387098446.db2.gz SJBMEJPPOFTJAF-QWRGUYRKSA-N 0 3 231.336 0.883 20 0 BCADHN CN(C[C@@H](O)COC(C)(C)C)[C@H]1CCOC1 ZINC000359404828 387098784 /nfs/dbraw/zinc/09/87/84/387098784.db2.gz SJBMEJPPOFTJAF-WDEREUQCSA-N 0 3 231.336 0.883 20 0 BCADHN CC(C)OCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000068129458 387100957 /nfs/dbraw/zinc/10/09/57/387100957.db2.gz NUZFPBDUMOVOLP-SNVBAGLBSA-N 0 3 226.320 0.764 20 0 BCADHN CN(C)CCNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000370295653 387106959 /nfs/dbraw/zinc/10/69/59/387106959.db2.gz XFQLLSAZRRMDML-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CC(C)CCOCCN1C[C@@H](O)C[C@H]1CO ZINC000186523885 387108153 /nfs/dbraw/zinc/10/81/53/387108153.db2.gz JYEUMQLQTFJDGU-RYUDHWBXSA-N 0 3 231.336 0.477 20 0 BCADHN CCN(C)C(=O)CN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000336278071 387108276 /nfs/dbraw/zinc/10/82/76/387108276.db2.gz KLNQKQDLQKWWAZ-JGPRNRPPSA-N 0 3 228.336 0.698 20 0 BCADHN CN(Cc1ccon1)C(=O)C1(N)CCCC1 ZINC000336276362 387108476 /nfs/dbraw/zinc/10/84/76/387108476.db2.gz HHKWVLLMXPALNW-UHFFFAOYSA-N 0 3 223.276 0.905 20 0 BCADHN Cc1n[nH]c(C)c1CNCC1(O)CCOCC1 ZINC000112717324 387108592 /nfs/dbraw/zinc/10/85/92/387108592.db2.gz SDLQOIWNMLWFFD-UHFFFAOYSA-N 0 3 239.319 0.658 20 0 BCADHN C[C@H](NCCO)c1ccc2c(c1)NC(=O)CO2 ZINC000020596864 387109732 /nfs/dbraw/zinc/10/97/32/387109732.db2.gz AYIZBQJGGJGCHC-QMMMGPOBSA-N 0 3 236.271 0.660 20 0 BCADHN COC[C@H](O)CN1CCN(C2CCCC2)CC1 ZINC000069054017 387111994 /nfs/dbraw/zinc/11/19/94/387111994.db2.gz QMTFEFRLBYFFTA-CYBMUJFWSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H]1SCC[C@@H]1NC(=O)N1CCCNCC1 ZINC000646233398 387118094 /nfs/dbraw/zinc/11/80/94/387118094.db2.gz AWHUTRXFTSVAQP-UWVGGRQHSA-N 0 3 243.376 0.885 20 0 BCADHN CC(C)(C)[C@@H]1CCN(C(=O)CN)C[C@@H]1O ZINC000335027097 387120857 /nfs/dbraw/zinc/12/08/57/387120857.db2.gz OKNHWTQTRSRNAF-BDAKNGLRSA-N 0 3 214.309 0.201 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@@H](C)[C@@H](C)CO ZINC000228724591 387122174 /nfs/dbraw/zinc/12/21/74/387122174.db2.gz RHXZWIDGPPCJGS-DCAQKATOSA-N 0 3 230.352 0.754 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccc(=O)n(C)c1 ZINC000359557901 387122282 /nfs/dbraw/zinc/12/22/82/387122282.db2.gz KNQWLAPJLSDEBD-UHFFFAOYSA-N 0 3 237.303 0.019 20 0 BCADHN COc1cccc2c1CCN(C(=O)[C@@H](C)N)CC2 ZINC000335030723 387125098 /nfs/dbraw/zinc/12/50/98/387125098.db2.gz PWRGTEXGEGXWLE-SNVBAGLBSA-N 0 3 248.326 0.970 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)CC(F)(F)F ZINC000228756105 387125121 /nfs/dbraw/zinc/12/51/21/387125121.db2.gz GUOIZARGIGLTSP-QMMMGPOBSA-N 0 3 242.241 0.368 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)C1CCOCC1 ZINC000186708875 387125948 /nfs/dbraw/zinc/12/59/48/387125948.db2.gz HJSDAZYPQUNEHX-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@@H](C)CN(C)[C@@]1(CO)CCOC1 ZINC000359567844 387125947 /nfs/dbraw/zinc/12/59/47/387125947.db2.gz AUJUZPDSWZVFHX-VHSXEESVSA-N 0 3 203.282 0.105 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCCC[C@@H](C)C1 ZINC000335030896 387126786 /nfs/dbraw/zinc/12/67/86/387126786.db2.gz UFRWTGRBBSDPEP-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC000335032045 387127264 /nfs/dbraw/zinc/12/72/64/387127264.db2.gz VWWZRNXQCIKRIA-ZJUUUORDSA-N 0 3 241.335 0.051 20 0 BCADHN COc1cc(C(=O)NC[C@@H](C)N(C)C)on1 ZINC000359600395 387132603 /nfs/dbraw/zinc/13/26/03/387132603.db2.gz RQQFXMAWLJVXSF-SSDOTTSWSA-N 0 3 227.264 0.363 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCCOCC1 ZINC000370600688 387129003 /nfs/dbraw/zinc/12/90/03/387129003.db2.gz AANLUDYZMMCWDS-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CNS(=O)(=O)C1CCN(CCCF)CC1 ZINC000370615260 387129453 /nfs/dbraw/zinc/12/94/53/387129453.db2.gz AVLDYZSRDTYCQU-UHFFFAOYSA-N 0 3 238.328 0.360 20 0 BCADHN CCN(CC)CC(=O)N1CCNC(=O)C[C@@H]1C ZINC000369775620 387068010 /nfs/dbraw/zinc/06/80/10/387068010.db2.gz RZHMPUGPZUSFHV-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CC(C)[C@](C)(CO)NC(=O)N[C@H](C)CN(C)C ZINC000359653868 387142648 /nfs/dbraw/zinc/14/26/48/387142648.db2.gz RAYTUBPDDNBWFS-PWSUYJOCSA-N 0 3 245.367 0.643 20 0 BCADHN CC(C)CC[C@@H](O)CN1CCC[C@@](O)(CO)C1 ZINC000459628631 387142714 /nfs/dbraw/zinc/14/27/14/387142714.db2.gz FWWQFEOHMHPHEB-OLZOCXBDSA-N 0 3 245.363 0.603 20 0 BCADHN O=C1NC[C@H](CN2CCCO[C@@H]3CCC[C@@H]32)O1 ZINC000371060833 387145273 /nfs/dbraw/zinc/14/52/73/387145273.db2.gz AJJRAVQLMASNKF-OUAUKWLOSA-N 0 3 240.303 0.738 20 0 BCADHN CCC[C@]1(CO)CCN(CCOCCO)C1 ZINC000367355022 387146353 /nfs/dbraw/zinc/14/63/53/387146353.db2.gz AIEZJKJONGWKKG-LBPRGKRZSA-N 0 3 231.336 0.480 20 0 BCADHN CC(C)NC(=O)C[C@H]1CSCCN1 ZINC000085612387 387148862 /nfs/dbraw/zinc/14/88/62/387148862.db2.gz FARVXJFMLWPBIK-QMMMGPOBSA-N 0 3 202.323 0.606 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000353163332 387148919 /nfs/dbraw/zinc/14/89/19/387148919.db2.gz HVNGTCWKBZELKK-VIFPVBQESA-N 0 3 240.307 0.550 20 0 BCADHN C[C@H](NC(=O)C(N)C(F)(F)F)[C@@H]1CCCO1 ZINC000353184090 387149863 /nfs/dbraw/zinc/14/98/63/387149863.db2.gz PCDNKOHNSAVPQM-ACZMJKKPSA-N 0 3 240.225 0.560 20 0 BCADHN COC[C@H](C)N(C)CCc1noc(C)n1 ZINC000353184355 387150415 /nfs/dbraw/zinc/15/04/15/387150415.db2.gz ARYBCQUZGYKODT-QMMMGPOBSA-N 0 3 213.281 0.887 20 0 BCADHN COC[C@H](Cc1ccccc1)NC(=O)C1(N)CC1 ZINC000353184239 387150433 /nfs/dbraw/zinc/15/04/33/387150433.db2.gz NRACZHDAVVLDSB-LBPRGKRZSA-N 0 3 248.326 0.852 20 0 BCADHN CCCCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000367149542 387151106 /nfs/dbraw/zinc/15/11/06/387151106.db2.gz VXPXTSPLLUDTHG-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN Cc1cnn(CCN2C[C@H](O)C3(CC3)C2)c1 ZINC000336329181 387155939 /nfs/dbraw/zinc/15/59/39/387155939.db2.gz FHBUATWJRFQRSC-NSHDSACASA-N 0 3 221.304 0.648 20 0 BCADHN C[C@@]1(O)CCCN([C@H]2CCCCNC2=O)CC1 ZINC000300309524 387192926 /nfs/dbraw/zinc/19/29/26/387192926.db2.gz NKUFGWJBTSTJLL-WCQYABFASA-N 0 3 240.347 0.892 20 0 BCADHN CC(C)(C)OCCN1CC[C@@H](CO)[C@H](O)C1 ZINC000571738397 387159181 /nfs/dbraw/zinc/15/91/81/387159181.db2.gz IEBBTVRZFHIFHH-WDEREUQCSA-N 0 3 231.336 0.477 20 0 BCADHN CC(=O)NCCN(C)CC[C@H]1CCOC1 ZINC000571759272 387160505 /nfs/dbraw/zinc/16/05/05/387160505.db2.gz IFTZRKAGMOHEKB-NSHDSACASA-N 0 3 214.309 0.481 20 0 BCADHN CC[C@@H](C)CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000359758796 387160717 /nfs/dbraw/zinc/16/07/17/387160717.db2.gz OKUSNOQFELPLQH-PWSUYJOCSA-N 0 3 228.336 0.605 20 0 BCADHN COC[C@@H](C)N(C)C(=O)C[C@@H]1CSCCN1 ZINC000085613466 387160988 /nfs/dbraw/zinc/16/09/88/387160988.db2.gz CPDPQYBEACVZEF-NXEZZACHSA-N 0 3 246.376 0.575 20 0 BCADHN C[C@H]1CCCCN1C(=O)C[C@H]1CNCCO1 ZINC000085618675 387161220 /nfs/dbraw/zinc/16/12/20/387161220.db2.gz AACULAWMJGLRLK-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H]1CCCCN1C(=O)C[C@@H]1CNCCO1 ZINC000085618669 387162281 /nfs/dbraw/zinc/16/22/81/387162281.db2.gz AACULAWMJGLRLK-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CCCCN1C(=O)C[C@H]1CNCCO1 ZINC000085618671 387162588 /nfs/dbraw/zinc/16/25/88/387162588.db2.gz AACULAWMJGLRLK-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CCN(CC)CC(=O)NC[C@H](CO)C1CC1 ZINC000359775686 387162674 /nfs/dbraw/zinc/16/26/74/387162674.db2.gz SFNOWJRKJUZCMO-LLVKDONJSA-N 0 3 228.336 0.463 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)NCCNCCOC ZINC000418140936 387163588 /nfs/dbraw/zinc/16/35/88/387163588.db2.gz KHCXBDMYTUSOFK-NXEZZACHSA-N 0 3 229.324 0.320 20 0 BCADHN CC(C)[C@H](O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000353233826 387163937 /nfs/dbraw/zinc/16/39/37/387163937.db2.gz XGFMHEVVIOBBEC-TUAOUCFPSA-N 0 3 242.363 0.944 20 0 BCADHN CC(C)C[C@@H](C)NC(=O)C[C@@H]1CNCCO1 ZINC000085619194 387164071 /nfs/dbraw/zinc/16/40/71/387164071.db2.gz PULXILNQSCJOFI-GHMZBOCLSA-N 0 3 228.336 0.916 20 0 BCADHN CN(CCNC(=O)Cn1ccnc1)C1CC1 ZINC000571785045 387170684 /nfs/dbraw/zinc/17/06/84/387170684.db2.gz MHYUXCMVWWLNOS-UHFFFAOYSA-N 0 3 222.292 0.094 20 0 BCADHN CC(C)[C@@](C)(O)CN1CCN2C(=O)NC[C@@H]2C1 ZINC000187139795 387170987 /nfs/dbraw/zinc/17/09/87/387170987.db2.gz LXGOSNMRTXJHFA-PWSUYJOCSA-N 0 3 241.335 0.103 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@]1(C)CCOC1 ZINC000353294133 387172969 /nfs/dbraw/zinc/17/29/69/387172969.db2.gz ICVJYWXALMFYQP-JQWIXIFHSA-N 0 3 243.351 0.662 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@@]1(C)CCOC1 ZINC000353294132 387174526 /nfs/dbraw/zinc/17/45/26/387174526.db2.gz ICVJYWXALMFYQP-CMPLNLGQSA-N 0 3 243.351 0.662 20 0 BCADHN C[C@]1(O)CCCN([C@H]2CCCCNC2=O)CC1 ZINC000300309523 387193580 /nfs/dbraw/zinc/19/35/80/387193580.db2.gz NKUFGWJBTSTJLL-AAEUAGOBSA-N 0 3 240.347 0.892 20 0 BCADHN CN(C)C1(CNC(=O)C2(C)COC2)CCC1 ZINC000353303965 387176505 /nfs/dbraw/zinc/17/65/05/387176505.db2.gz IYFXXLVQJZYVOF-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)NC[C@@H]1CCCN1C ZINC000353311247 387179356 /nfs/dbraw/zinc/17/93/56/387179356.db2.gz HGCPZKHCNRUUMI-CMPLNLGQSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](CO)N(C)C(=O)C1CCN(C2CC2)CC1 ZINC000194804531 387180835 /nfs/dbraw/zinc/18/08/35/387180835.db2.gz QSJIGXSHTOTORK-SNVBAGLBSA-N 0 3 240.347 0.700 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2CCOC2)CCC1 ZINC000353336853 387182234 /nfs/dbraw/zinc/18/22/34/387182234.db2.gz OPSLLBCPTSDZKR-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN Cc1cc(CNC(=O)[C@@H]2C[C@@H](C)CCN2)[nH]n1 ZINC000643495831 387182694 /nfs/dbraw/zinc/18/26/94/387182694.db2.gz QCHFZCRSSHCOEP-KWQFWETISA-N 0 3 236.319 0.722 20 0 BCADHN O=C([C@@H]1CCCCN1)N1CC[C@]2(CCOC2)C1 ZINC000237937973 387183865 /nfs/dbraw/zinc/18/38/65/387183865.db2.gz ZNEPPWJQWWFPLD-AAEUAGOBSA-N 0 3 238.331 0.768 20 0 BCADHN CN(C)CCNC(=O)[C@@H](O)Cc1ccccc1 ZINC000353347489 387185263 /nfs/dbraw/zinc/18/52/63/387185263.db2.gz PLWZGMKZWMLCKG-LBPRGKRZSA-N 0 3 236.315 0.268 20 0 BCADHN CN(Cc1c[nH]cn1)C1CCN(CCO)CC1 ZINC000353364297 387187310 /nfs/dbraw/zinc/18/73/10/387187310.db2.gz NMQHVIVYUFFGIE-UHFFFAOYSA-N 0 3 238.335 0.298 20 0 BCADHN C[C@H]1CCN(CC(=O)NCCCF)C1 ZINC000571893668 387194018 /nfs/dbraw/zinc/19/40/18/387194018.db2.gz ABMCKQHHLJVWLE-VIFPVBQESA-N 0 3 202.273 0.804 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](CO)C1CCCC1 ZINC000359615652 387134765 /nfs/dbraw/zinc/13/47/65/387134765.db2.gz LUXXDRYLUHBZCH-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN CN(CC1(CO)CC1)[C@@H]1CCCCNC1=O ZINC000186780891 387134858 /nfs/dbraw/zinc/13/48/58/387134858.db2.gz ZCVIQTPEDRZXNS-SNVBAGLBSA-N 0 3 226.320 0.359 20 0 BCADHN C[C@@H]1Oc2c(cccc2F)[C@@H]1NC(=O)CN ZINC000370699869 387136378 /nfs/dbraw/zinc/13/63/78/387136378.db2.gz CPQUNKKQJYRCTE-QUBYGPBYSA-N 0 3 224.235 0.723 20 0 BCADHN OCCN1CCSC2(CCOCC2)C1 ZINC000186818893 387140155 /nfs/dbraw/zinc/14/01/55/387140155.db2.gz BUCLKFZHNQQZNK-UHFFFAOYSA-N 0 3 217.334 0.577 20 0 BCADHN CCCCOCCN(C)CCC(N)=O ZINC000353187428 387140865 /nfs/dbraw/zinc/14/08/65/387140865.db2.gz WZCQSDLUTFDIRD-UHFFFAOYSA-N 0 3 202.298 0.610 20 0 BCADHN C[C@@H](NC(=O)C(N)C(F)(F)F)c1ncon1 ZINC000353441099 387202065 /nfs/dbraw/zinc/20/20/65/387202065.db2.gz DZMMRADWKHAQRO-DMTCNVIQSA-N 0 3 238.169 0.136 20 0 BCADHN C[C@H]1NCCN(C(=O)N[C@H]2CCCOC2)[C@@H]1C ZINC000418191455 387203951 /nfs/dbraw/zinc/20/39/51/387203951.db2.gz KVMZTFAYPDFEJD-MXWKQRLJSA-N 0 3 241.335 0.557 20 0 BCADHN CO[C@](C)(C(=O)NC[C@@H](C)N(C)C)C1CC1 ZINC000359980927 387204763 /nfs/dbraw/zinc/20/47/63/387204763.db2.gz IPDGSEUAMHIHJL-SKDRFNHKSA-N 0 3 228.336 0.868 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H](C)c1csc(C)n1 ZINC000353458920 387205556 /nfs/dbraw/zinc/20/55/56/387205556.db2.gz KUQJDFJGYUGVIL-HZGVNTEJSA-N 0 3 243.332 0.602 20 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CCN(C)C(=O)CN[C@H]1CN(C2CC2)C[C@H]1C ZINC000360009861 387213710 /nfs/dbraw/zinc/21/37/10/387213710.db2.gz BLKNLCXADSSCMI-PWSUYJOCSA-N 0 3 239.363 0.537 20 0 BCADHN C[C@H](CO)NCc1cnn(CC(F)F)c1 ZINC000292860437 387214192 /nfs/dbraw/zinc/21/41/92/387214192.db2.gz BEOQZLOTKSMJJC-SSDOTTSWSA-N 0 3 219.235 0.619 20 0 BCADHN C[C@H](N)C(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC000353496354 387214671 /nfs/dbraw/zinc/21/46/71/387214671.db2.gz ARKUJAHZPONMSN-VIFPVBQESA-N 0 3 249.314 0.352 20 0 BCADHN C[C@@H]1C[C@H](O)CN(CCCN2CCCC2=O)C1 ZINC000571979412 387214945 /nfs/dbraw/zinc/21/49/45/387214945.db2.gz HAYUMIYKMUYPMO-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCCC(=O)OC(C)C ZINC000353499596 387215902 /nfs/dbraw/zinc/21/59/02/387215902.db2.gz FYDJTBFYRGUUTQ-SNVBAGLBSA-N 0 3 244.335 0.818 20 0 BCADHN CC(C)O[C@@H]1CCN(C[C@H]2COCCO2)C1 ZINC000571997329 387216527 /nfs/dbraw/zinc/21/65/27/387216527.db2.gz PVVZYLKBDGYMLQ-NEPJUHHUSA-N 0 3 229.320 0.901 20 0 BCADHN 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ZINC000353551894 387228547 /nfs/dbraw/zinc/22/85/47/387228547.db2.gz LWJBIYWKDHPLSR-SECBINFHSA-N 0 3 233.381 0.989 20 0 BCADHN COCCN(CCN(C)C)C(=O)C1(C)CC1 ZINC000572090327 387229467 /nfs/dbraw/zinc/22/94/67/387229467.db2.gz JWOKHQQQFNGWBC-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN Cc1noc([C@H](C)NC(=O)[C@@H](N)C(C)C)n1 ZINC000353566681 387231364 /nfs/dbraw/zinc/23/13/64/387231364.db2.gz RLSLNPNLJCSMGG-XPUUQOCRSA-N 0 3 226.280 0.539 20 0 BCADHN O=C1CNC(=O)N1CCN1CCC12CCC2 ZINC000336401343 387232548 /nfs/dbraw/zinc/23/25/48/387232548.db2.gz GVILATKEMJZOBI-UHFFFAOYSA-N 0 3 223.276 0.167 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H](C)c1nc(C)no1 ZINC000353571508 387232826 /nfs/dbraw/zinc/23/28/26/387232826.db2.gz ZKXADGLCIKHTJM-SVRRBLITSA-N 0 3 226.280 0.683 20 0 BCADHN CCOCCOC[C@H](O)CNCc1cc[nH]c1 ZINC000360153276 387233098 /nfs/dbraw/zinc/23/30/98/387233098.db2.gz HEAZYTVTWJVKID-GFCCVEGCSA-N 0 3 242.319 0.518 20 0 BCADHN CCN(CCO)CCNC(=O)[C@](C)(CC)OC ZINC000360178330 387238682 /nfs/dbraw/zinc/23/86/82/387238682.db2.gz ULXXLRPWISSPQI-LBPRGKRZSA-N 0 3 246.351 0.232 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1ccc(=O)[nH]c1 ZINC000063053987 387239091 /nfs/dbraw/zinc/23/90/91/387239091.db2.gz YYIGRCAFFHZCKQ-UHFFFAOYSA-N 0 3 249.314 0.543 20 0 BCADHN CCN(CC)C(=O)C[C@@H](C)N[C@H](CO)COC ZINC000353605917 387241356 /nfs/dbraw/zinc/24/13/56/387241356.db2.gz COKJGYBRSCAMJW-GHMZBOCLSA-N 0 3 246.351 0.230 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H]1F ZINC000424663501 387241651 /nfs/dbraw/zinc/24/16/51/387241651.db2.gz ZXRLNWNUGAEFMR-YWVKMMECSA-N 0 3 214.284 0.945 20 0 BCADHN C[C@@H]1CC[C@@](CO)(N(C)CC(=O)N(C)C)C1 ZINC000188016043 387245324 /nfs/dbraw/zinc/24/53/24/387245324.db2.gz IHJSWCNJZQALMH-ZYHUDNBSSA-N 0 3 228.336 0.558 20 0 BCADHN Cc1ccc(CN2CC[C@@](O)(C(N)=O)C2)cc1C ZINC000285002007 387249024 /nfs/dbraw/zinc/24/90/24/387249024.db2.gz LQIXSYLTTHOCDL-AWEZNQCLSA-N 0 3 248.326 0.726 20 0 BCADHN CC(C)(O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000230106157 387251851 /nfs/dbraw/zinc/25/18/51/387251851.db2.gz CTWNLBDOALBYOA-JTQLQIEISA-N 0 3 226.320 0.454 20 0 BCADHN Cn1nncc1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000371328167 387194451 /nfs/dbraw/zinc/19/44/51/387194451.db2.gz SMTUCXAQMLKBQF-MNOVXSKESA-N 0 3 236.319 0.674 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cncnc1N1CCCC1 ZINC000571895734 387195934 /nfs/dbraw/zinc/19/59/34/387195934.db2.gz VBHKCXAHPKTOQT-VIFPVBQESA-N 0 3 249.318 0.623 20 0 BCADHN CC1CC[NH+](CCCOC([O-])=NC(N)=O)CC1 ZINC000120886797 387197681 /nfs/dbraw/zinc/19/76/81/387197681.db2.gz OCYXZRHOUTZUDC-UHFFFAOYSA-N 0 3 243.307 0.913 20 0 BCADHN CC1CC[NH+](CCCOC(=O)N=C(N)[O-])CC1 ZINC000120886797 387197685 /nfs/dbraw/zinc/19/76/85/387197685.db2.gz OCYXZRHOUTZUDC-UHFFFAOYSA-N 0 3 243.307 0.913 20 0 BCADHN CCOCCNC(=O)C1CCN(C)CC1 ZINC000359955604 387198776 /nfs/dbraw/zinc/19/87/76/387198776.db2.gz VHCGLZQLQGMAIP-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC000070941842 387199476 /nfs/dbraw/zinc/19/94/76/387199476.db2.gz ULIGYAWAZBMAAG-SNVBAGLBSA-N 0 3 236.319 0.932 20 0 BCADHN CN(C)CC(=O)N1CCN(C)C(C)(C)C1 ZINC000571922819 387199692 /nfs/dbraw/zinc/19/96/92/387199692.db2.gz DAVHESCQZFSPRG-UHFFFAOYSA-N 0 3 213.325 0.101 20 0 BCADHN CN[C@H](C)c1cn(CCCc2cncn2C)nn1 ZINC000314024566 387316855 /nfs/dbraw/zinc/31/68/55/387316855.db2.gz JRWGYAOKOBADEE-SNVBAGLBSA-N 0 3 248.334 0.925 20 0 BCADHN CN(CCNC(=O)C1(N)CC1)CC(F)(F)F ZINC000353665661 387254167 /nfs/dbraw/zinc/25/41/67/387254167.db2.gz VOGPCOYBMRYGJX-UHFFFAOYSA-N 0 3 239.241 0.088 20 0 BCADHN C[C@@H]1OCC[C@@H]1NCC(=O)NCC(F)(F)F ZINC000120597901 387255581 /nfs/dbraw/zinc/25/55/81/387255581.db2.gz CPNSRWRPNCWOBO-BQBZGAKWSA-N 0 3 240.225 0.432 20 0 BCADHN C[C@H]1[C@H](CO)CCN1Cc1ccnn1C ZINC000336429716 387256437 /nfs/dbraw/zinc/25/64/37/387256437.db2.gz YWWRVPKAVGSVKJ-UWVGGRQHSA-N 0 3 209.293 0.623 20 0 BCADHN CCC(CC)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188196711 387257392 /nfs/dbraw/zinc/25/73/92/387257392.db2.gz PNBCMEPFRYXXFE-IONNQARKSA-N 0 3 202.273 0.991 20 0 BCADHN CSCCC(=O)N1CCCN(C)CC1 ZINC000301386624 387257872 /nfs/dbraw/zinc/25/78/72/387257872.db2.gz RYUZHONLLWGHEB-UHFFFAOYSA-N 0 3 216.350 0.904 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H]1CNCCC1(F)F ZINC000423469470 387317185 /nfs/dbraw/zinc/31/71/85/387317185.db2.gz FYPPDBOQAIHKPQ-YIZRAAEISA-N 0 3 222.279 0.997 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000353696606 387261135 /nfs/dbraw/zinc/26/11/35/387261135.db2.gz CSLQPXSAPDPMEX-GMTAPVOTSA-N 0 3 243.351 0.661 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000353705967 387261418 /nfs/dbraw/zinc/26/14/18/387261418.db2.gz OTPQMSCJNPGXAC-WOPDTQHZSA-N 0 3 240.347 0.698 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000230243121 387265360 /nfs/dbraw/zinc/26/53/60/387265360.db2.gz VKQIHNJJXMLOME-VWYCJHECSA-N 0 3 228.336 0.997 20 0 BCADHN Cc1cnn(C)c1CNCCn1ccnc1 ZINC000285414774 387266178 /nfs/dbraw/zinc/26/61/78/387266178.db2.gz JHNHTVVITSVYFM-UHFFFAOYSA-N 0 3 219.292 0.715 20 0 BCADHN 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CC(C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1)S(C)(=O)=O ZINC000648671516 387427086 /nfs/dbraw/zinc/42/70/86/387427086.db2.gz QBIHOAIBRSGZRO-ZYUZMQFOSA-N 0 3 245.344 0.724 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000354759200 387427224 /nfs/dbraw/zinc/42/72/24/387427224.db2.gz GCUNNGMVCJJJPY-NEPJUHHUSA-N 0 3 242.363 0.992 20 0 BCADHN CCOC(=O)CC[C@@H](C)NC(=O)C1(N)CCC1 ZINC000423793133 387427244 /nfs/dbraw/zinc/42/72/44/387427244.db2.gz DSBVTOIONYWZMW-SECBINFHSA-N 0 3 242.319 0.716 20 0 BCADHN CCC[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)OC ZINC000423803982 387429671 /nfs/dbraw/zinc/42/96/71/387429671.db2.gz RHRVULVHMJJDQK-UWVGGRQHSA-N 0 3 242.319 0.586 20 0 BCADHN CNCC(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000423805421 387430268 /nfs/dbraw/zinc/43/02/68/387430268.db2.gz UCEPPBVETSBLMD-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN CCC[C@H](NC(=O)[C@@H](N)CC)C(=O)OC ZINC000423798463 387430311 /nfs/dbraw/zinc/43/03/11/387430311.db2.gz JRSIYACTPRZQEK-YUMQZZPRSA-N 0 3 216.281 0.182 20 0 BCADHN C[C@H]1CN(C)CCN1CCN1CCCOCC1 ZINC000361283408 387430758 /nfs/dbraw/zinc/43/07/58/387430758.db2.gz YOSFEIPGGMPSNC-ZDUSSCGKSA-N 0 3 241.379 0.345 20 0 BCADHN CO[C@H]1CCCN(CCN2CCCOCC2)C1 ZINC000361289606 387431235 /nfs/dbraw/zinc/43/12/35/387431235.db2.gz QFPWSDKDRRDXFL-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN COC[C@@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000354802393 387431843 /nfs/dbraw/zinc/43/18/43/387431843.db2.gz HXUKWNGIVXQCSR-DTWKUNHWSA-N 0 3 217.313 0.271 20 0 BCADHN COC[C@@H](C)NC(=O)N[C@H](C)CN(C)C ZINC000354802396 387432312 /nfs/dbraw/zinc/43/23/12/387432312.db2.gz HXUKWNGIVXQCSR-RKDXNWHRSA-N 0 3 217.313 0.271 20 0 BCADHN CCOC[C@@H]1CCCN([C@H]2COC[C@H]2O)C1 ZINC000361286910 387432239 /nfs/dbraw/zinc/43/22/39/387432239.db2.gz HYHVIVHVEWRJKS-GRYCIOLGSA-N 0 3 229.320 0.495 20 0 BCADHN CCOC[C@@H]1CCCN([C@@H]2COC[C@H]2O)C1 ZINC000361286917 387432293 /nfs/dbraw/zinc/43/22/93/387432293.db2.gz HYHVIVHVEWRJKS-IJLUTSLNSA-N 0 3 229.320 0.495 20 0 BCADHN CC[C@H](O)CN1CCCC[C@@H]1C(N)=O ZINC000304077175 387432960 /nfs/dbraw/zinc/43/29/60/387432960.db2.gz XMHAXPWRSRAFMA-DTWKUNHWSA-N 0 3 200.282 0.097 20 0 BCADHN CC[C@H]1C[C@@H](NC(=O)[C@H](C)N)CCO1 ZINC000515848520 387435337 /nfs/dbraw/zinc/43/53/37/387435337.db2.gz INQUYYNWFKAYGE-CIUDSAMLSA-N 0 3 200.282 0.407 20 0 BCADHN Cn1nnc2cc(CN3CCC[C@H]3CO)ccc21 ZINC000352680348 387435612 /nfs/dbraw/zinc/43/56/12/387435612.db2.gz JGGDJXGALHJYIX-NSHDSACASA-N 0 3 246.314 0.925 20 0 BCADHN CC(C)CC[C@@H](O)CN(C)[C@@]1(CO)CCOC1 ZINC000361312256 387435866 /nfs/dbraw/zinc/43/58/66/387435866.db2.gz RFGVFBCLFUHSPT-CHWSQXEVSA-N 0 3 245.363 0.867 20 0 BCADHN CN(CCC(=O)OC(C)(C)C)[C@H]1COC[C@H]1O ZINC000361309969 387436450 /nfs/dbraw/zinc/43/64/50/387436450.db2.gz RECCFADMWOCGDP-VHSXEESVSA-N 0 3 245.319 0.410 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000423864500 387438808 /nfs/dbraw/zinc/43/88/08/387438808.db2.gz YXIVETDSBMZZGF-GMTAPVOTSA-N 0 3 228.336 0.855 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC000423868939 387439769 /nfs/dbraw/zinc/43/97/69/387439769.db2.gz HPZSDUXQACPJPM-MNOVXSKESA-N 0 3 242.363 0.883 20 0 BCADHN CCOCC[C@@H](O)CN1CCN(CC)C[C@@H]1C ZINC000352697284 387440279 /nfs/dbraw/zinc/44/02/79/387440279.db2.gz KRNGJZIPMZEWOT-QWHCGFSZSA-N 0 3 244.379 0.800 20 0 BCADHN CC(C)[C@H](O)C(=O)N(C)CCN(C)C1CC1 ZINC000354890677 387440412 /nfs/dbraw/zinc/44/04/12/387440412.db2.gz DYDDVHITZZWDSR-NSHDSACASA-N 0 3 228.336 0.556 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000423868197 387440689 /nfs/dbraw/zinc/44/06/89/387440689.db2.gz BFOAILUQLQYSSR-UKKRHICBSA-N 0 3 238.331 0.798 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000423871089 387442307 /nfs/dbraw/zinc/44/23/07/387442307.db2.gz KEFGMDUFZDAYDN-AEJSXWLSSA-N 0 3 228.336 0.589 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000423877529 387442603 /nfs/dbraw/zinc/44/26/03/387442603.db2.gz QOMNQDZWACIPRC-DCAQKATOSA-N 0 3 242.363 0.979 20 0 BCADHN CN(C)C1(CNC(=O)c2cncn2C)CCC1 ZINC000515919195 387442859 /nfs/dbraw/zinc/44/28/59/387442859.db2.gz CZMZWJHBMABGAS-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)CCN(C)C1CC1 ZINC000354890676 387442915 /nfs/dbraw/zinc/44/29/15/387442915.db2.gz DYDDVHITZZWDSR-LLVKDONJSA-N 0 3 228.336 0.556 20 0 BCADHN CCCN(C(=O)CCOC1CNC1)C1CC1 ZINC000423878930 387443718 /nfs/dbraw/zinc/44/37/18/387443718.db2.gz QPKLBPBODMLHSN-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H](CC(=O)N(C)C)N[C@@H](C)c1cn[nH]c1 ZINC000271406964 387444363 /nfs/dbraw/zinc/44/43/63/387444363.db2.gz ACWUQMADKZBLID-BDAKNGLRSA-N 0 3 224.308 0.927 20 0 BCADHN CC(C)(C)[C@@H]1CCN([C@@H]2COC[C@H]2O)C[C@H]1O ZINC000361348087 387444975 /nfs/dbraw/zinc/44/49/75/387444975.db2.gz HBFZFCGTXHJGMO-DDHJBXDOSA-N 0 3 243.347 0.475 20 0 BCADHN NCC(=O)NCCCNc1ccccc1F ZINC000423890980 387446870 /nfs/dbraw/zinc/44/68/70/387446870.db2.gz ZKYFENAWIUYQHM-UHFFFAOYSA-N 0 3 225.267 0.703 20 0 BCADHN CCCCN(CCCO)[C@@H]1COC[C@@H]1O ZINC000361356155 387447899 /nfs/dbraw/zinc/44/78/99/387447899.db2.gz PODMTIGHNWCVII-MNOVXSKESA-N 0 3 217.309 0.231 20 0 BCADHN O=C(NC[C@H]1CNCCO1)N[C@@H]1C[C@H]1C1CC1 ZINC000516025609 387448293 /nfs/dbraw/zinc/44/82/93/387448293.db2.gz KENPMBFMYAGAIF-OUAUKWLOSA-N 0 3 239.319 0.073 20 0 BCADHN CN(CCC1CC1)C(=O)CCOC1CNC1 ZINC000423911399 387448463 /nfs/dbraw/zinc/44/84/63/387448463.db2.gz VMDBWVGRMFKNJW-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)[C@H](C)NC1CC1 ZINC000423915658 387448830 /nfs/dbraw/zinc/44/88/30/387448830.db2.gz BAKVLPLYBPIOGD-XHNCKOQMSA-N 0 3 214.309 0.667 20 0 BCADHN CO[C@@]1(CN[C@@H](C)c2cn[nH]c2)CCOC1 ZINC000304236457 387450036 /nfs/dbraw/zinc/45/00/36/387450036.db2.gz MKVTWSOSXSXAQD-GXSJLCMTSA-N 0 3 225.292 0.866 20 0 BCADHN CC1(CCNC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000423925534 387450897 /nfs/dbraw/zinc/45/08/97/387450897.db2.gz FXAZXPLGKMAPLP-DTWKUNHWSA-N 0 3 214.284 0.993 20 0 BCADHN NC1(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)CC1 ZINC000516048558 387451181 /nfs/dbraw/zinc/45/11/81/387451181.db2.gz JNEGXVOYZYSLMS-HLTSFMKQSA-N 0 3 210.277 0.161 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000423919086 387451560 /nfs/dbraw/zinc/45/15/60/387451560.db2.gz DYJRBPQJRNVVEQ-YIZRAAEISA-N 0 3 202.298 0.509 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)C[C@@H]1CSCCN1 ZINC000423930053 387453154 /nfs/dbraw/zinc/45/31/54/387453154.db2.gz VLSQRZBLIHJRMU-LPEHRKFASA-N 0 3 246.376 0.621 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000516067541 387453404 /nfs/dbraw/zinc/45/34/04/387453404.db2.gz AMCXGSMHQBUDSR-HGNGGELXSA-N 0 3 212.293 0.407 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000516067542 387453425 /nfs/dbraw/zinc/45/34/25/387453425.db2.gz AMCXGSMHQBUDSR-SFGNSQDASA-N 0 3 212.293 0.407 20 0 BCADHN COCCn1cc(CN[C@H]2CO[C@H](C)C2)cn1 ZINC000516063435 387453757 /nfs/dbraw/zinc/45/37/57/387453757.db2.gz TZDRYLJUTAPYBK-ZYHUDNBSSA-N 0 3 239.319 0.797 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)CN(C)C(C)C ZINC000304274366 387456617 /nfs/dbraw/zinc/45/66/17/387456617.db2.gz FTMXJXZOKZRPTN-LLVKDONJSA-N 0 3 230.352 0.850 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc(C)[nH]c1=O ZINC000516087986 387458220 /nfs/dbraw/zinc/45/82/20/387458220.db2.gz FWGVNOPRWOAHOP-ZETCQYMHSA-N 0 3 209.249 0.642 20 0 BCADHN CCOCCN1CCN([C@@H](CC)CO)CC1 ZINC000304294044 387458655 /nfs/dbraw/zinc/45/86/55/387458655.db2.gz DSYYOLXCJBPLRW-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN CN(C)CC(=O)N1CCN(C2CCC2)CC1 ZINC000336617931 387458672 /nfs/dbraw/zinc/45/86/72/387458672.db2.gz IAXRMNCRQLYGEN-UHFFFAOYSA-N 0 3 225.336 0.245 20 0 BCADHN Cc1ccc(CNCC2(C)COC2)c(=O)n1C ZINC000352714887 387458758 /nfs/dbraw/zinc/45/87/58/387458758.db2.gz YCWKAYOMIWYUBZ-UHFFFAOYSA-N 0 3 236.315 0.820 20 0 BCADHN Cn1nncc1CN[C@@H](CO)Cc1ccccc1 ZINC000122013455 387459140 /nfs/dbraw/zinc/45/91/40/387459140.db2.gz JJWWJSGBEONCGY-GFCCVEGCSA-N 0 3 246.314 0.508 20 0 BCADHN NCC(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000515483673 387386349 /nfs/dbraw/zinc/38/63/49/387386349.db2.gz AHWVFVXHVUGXDE-SNVBAGLBSA-N 0 3 212.293 0.363 20 0 BCADHN C=Cn1cc(CNCCC(=O)NCCC)cn1 ZINC000194352387 387387027 /nfs/dbraw/zinc/38/70/27/387387027.db2.gz OBJYNRRCZRCPPS-UHFFFAOYSA-N 0 3 236.319 0.990 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@H](C)[C@H]2C)nc(C)n1 ZINC000423613342 387387228 /nfs/dbraw/zinc/38/72/28/387387228.db2.gz PCTNIGCQTYLXKM-NXEZZACHSA-N 0 3 248.330 0.916 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2ccc(C)nn2)C1 ZINC000515493999 387388533 /nfs/dbraw/zinc/38/85/33/387388533.db2.gz FRENORIFIFGEDW-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN CCC[C@H](C(=O)N1CCN(C)C[C@@H]1C)N(C)C ZINC000354524219 387390603 /nfs/dbraw/zinc/39/06/03/387390603.db2.gz WUVMGYXCJVTUPW-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN O=C(CN1C[C@@H]2CCC[C@H]2C1)N1CCC1 ZINC000336564471 387391301 /nfs/dbraw/zinc/39/13/01/387391301.db2.gz BRCSOWXDKGVEBE-QWRGUYRKSA-N 0 3 208.305 0.951 20 0 BCADHN COC[C@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000361047778 387393893 /nfs/dbraw/zinc/39/38/93/387393893.db2.gz FHXCYVDCUGLATA-VIFPVBQESA-N 0 3 249.314 0.948 20 0 BCADHN Cc1cnn(CCN2CC[C@@H](O)[C@@H](C)C2)c1 ZINC000303740566 387394404 /nfs/dbraw/zinc/39/44/04/387394404.db2.gz BDUFDWYPTTWYQR-NWDGAFQWSA-N 0 3 223.320 0.894 20 0 BCADHN CC(C)[C@@H]1CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC000336578091 387401449 /nfs/dbraw/zinc/40/14/49/387401449.db2.gz LXHLZRBSUIHYIR-DTWKUNHWSA-N 0 3 227.308 0.548 20 0 BCADHN Cn1ncc(CCCNCc2cc[nH]n2)n1 ZINC000293017364 387401862 /nfs/dbraw/zinc/40/18/62/387401862.db2.gz QKVCRFSPSQFRME-UHFFFAOYSA-N 0 3 220.280 0.261 20 0 BCADHN CC[C@H](C)CN(C)C(=O)C(=O)N(C)[C@H](C)CN ZINC000423722778 387402678 /nfs/dbraw/zinc/40/26/78/387402678.db2.gz QAFTZASUXLAQHQ-VHSXEESVSA-N 0 3 243.351 0.297 20 0 BCADHN Cc1nnc([N-]C(=O)[C@]2(C)CCC[NH2+]2)n1C ZINC000515637054 387404089 /nfs/dbraw/zinc/40/40/89/387404089.db2.gz BODHXLNPOWTJLY-JTQLQIEISA-N 0 3 223.280 0.204 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@H](N)C1CCC1 ZINC000423737754 387405669 /nfs/dbraw/zinc/40/56/69/387405669.db2.gz FRHNFMYRPNKKNV-SNVBAGLBSA-N 0 3 228.292 0.135 20 0 BCADHN CCCC[C@@H](N)C(=O)N(CC)CC(=O)OC ZINC000423748967 387409156 /nfs/dbraw/zinc/40/91/56/387409156.db2.gz VEDXYWWWBARSKB-SECBINFHSA-N 0 3 230.308 0.525 20 0 BCADHN CCC[C@](C)([NH3+])C(=O)NCc1ncccc1[O-] ZINC000423751811 387409398 /nfs/dbraw/zinc/40/93/98/387409398.db2.gz BLGHQJNYSSGTNV-LBPRGKRZSA-N 0 3 237.303 0.921 20 0 BCADHN CCN(C)C(=O)CN1CCCN(C2CC2)CC1 ZINC000373998340 387409482 /nfs/dbraw/zinc/40/94/82/387409482.db2.gz OKZWNDFIFHXDSS-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CCN2CCC1CC2 ZINC000423757848 387411736 /nfs/dbraw/zinc/41/17/36/387411736.db2.gz MCOMYKXVYYOOLY-GFCCVEGCSA-N 0 3 239.363 0.811 20 0 BCADHN CCCC[C@H]([NH3+])C(=O)NCc1ncccc1[O-] ZINC000423756076 387411860 /nfs/dbraw/zinc/41/18/60/387411860.db2.gz JBYKOOJIFWVSNM-VIFPVBQESA-N 0 3 237.303 0.921 20 0 BCADHN CC[C@H](N)C(=O)N(CCC(=O)OC)C(C)C ZINC000423757881 387412058 /nfs/dbraw/zinc/41/20/58/387412058.db2.gz MFWLVLANJWKSEG-VIFPVBQESA-N 0 3 230.308 0.524 20 0 BCADHN CC/C=C/CCN1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374023417 387412350 /nfs/dbraw/zinc/41/23/50/387412350.db2.gz NSDIMXZWHSSAGX-BLDJZWNYSA-N 0 3 238.331 0.932 20 0 BCADHN CCN(C(=O)CN(C)C(C)C)[C@@H]1CCOC1 ZINC000361187775 387412711 /nfs/dbraw/zinc/41/27/11/387412711.db2.gz JHPLEAAIQVQJRX-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN COC[C@H](C)NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000354660225 387413107 /nfs/dbraw/zinc/41/31/07/387413107.db2.gz NDBTVVGMGPBUKW-AXFHLTTASA-N 0 3 243.351 0.803 20 0 BCADHN COC(=O)C1(CNC(=O)[C@@H](N)CC(C)C)CC1 ZINC000423760169 387414408 /nfs/dbraw/zinc/41/44/08/387414408.db2.gz JIAGXBFPWANBIG-VIFPVBQESA-N 0 3 242.319 0.429 20 0 BCADHN O=C(CN1CCCC[C@H](CO)C1)N1CCC1 ZINC000374041167 387414507 /nfs/dbraw/zinc/41/45/07/387414507.db2.gz XYOXCLSPWGVNQC-NSHDSACASA-N 0 3 226.320 0.313 20 0 BCADHN CNCC(=O)Nc1cccc(N(C)C)n1 ZINC000423758096 387414770 /nfs/dbraw/zinc/41/47/70/387414770.db2.gz FHNPWUVVKRTBMN-UHFFFAOYSA-N 0 3 208.265 0.306 20 0 BCADHN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)C(C)(C)N ZINC000423761924 387415739 /nfs/dbraw/zinc/41/57/39/387415739.db2.gz NEKAMUCBQYYWPG-YUMQZZPRSA-N 0 3 230.308 0.428 20 0 BCADHN CCN(C(=O)C(C)S(C)(=O)=O)[C@@H]1CCOC1 ZINC000361200853 387415925 /nfs/dbraw/zinc/41/59/25/387415925.db2.gz MMOZOEYVILRNPG-RKDXNWHRSA-N 0 3 249.332 0.057 20 0 BCADHN CC[C@H](O)CN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000374074603 387416220 /nfs/dbraw/zinc/41/62/20/387416220.db2.gz MBJCDNFSQOFNJH-UTLUCORTSA-N 0 3 228.292 0.188 20 0 BCADHN CCC[C@H](N)C(=O)NCC1(C(=O)OC)CC1 ZINC000423764566 387416724 /nfs/dbraw/zinc/41/67/24/387416724.db2.gz RTTLJALKBOPNBS-QMMMGPOBSA-N 0 3 228.292 0.183 20 0 BCADHN CNC(=O)[C@@H](NC(=O)[C@H]1CCCCN1)C(C)C ZINC000423761972 387416753 /nfs/dbraw/zinc/41/67/53/387416753.db2.gz NJFTZMPANGGJFD-ZJUUUORDSA-N 0 3 241.335 0.015 20 0 BCADHN COC(=O)C1(CNC(=O)[C@H]2CCCCN2)CC1 ZINC000423769216 387419094 /nfs/dbraw/zinc/41/90/94/387419094.db2.gz ZIESQEFJLHQZKU-SECBINFHSA-N 0 3 240.303 0.198 20 0 BCADHN 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238.278 0.459 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)CC(=O)N(C)C ZINC000362512213 387622816 /nfs/dbraw/zinc/62/28/16/387622816.db2.gz JRRICNUJWSNTJO-JTQLQIEISA-N 0 3 241.335 0.017 20 0 BCADHN C[C@@H]1CC[C@@H](NC(=O)COC2CNC2)[C@H](C)C1 ZINC000430520301 387623037 /nfs/dbraw/zinc/62/30/37/387623037.db2.gz RYVWITQHMXTRPD-CKYFFXLPSA-N 0 3 240.347 0.916 20 0 BCADHN CC(C)CCNC(=O)CNC[C@@H]1CCCO1 ZINC000042211736 387623982 /nfs/dbraw/zinc/62/39/82/387623982.db2.gz KNQSHCUPJNEPRM-NSHDSACASA-N 0 3 228.336 0.917 20 0 BCADHN CC[C@@H](C(=O)N[C@H](CCO)CSC)N(C)C ZINC000305666092 387625638 /nfs/dbraw/zinc/62/56/38/387625638.db2.gz IBYFADOFJSJDSG-ZJUUUORDSA-N 0 3 248.392 0.557 20 0 BCADHN CC[C@H](O)CCNC(=O)CN(CC)CC ZINC000305068412 387545259 /nfs/dbraw/zinc/54/52/59/387545259.db2.gz JWVLSGSXTOEWBE-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)CC1(O)CCC1 ZINC000422036424 387545527 /nfs/dbraw/zinc/54/55/27/387545527.db2.gz NOJUMSPDGOVLCI-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](CO)N1CCCN(Cc2ccno2)CC1 ZINC000375497106 387545837 /nfs/dbraw/zinc/54/58/37/387545837.db2.gz PQYRINADJNNCSK-LLVKDONJSA-N 0 3 239.319 0.563 20 0 BCADHN C[C@H](CO)N1CCCN(C(=O)C2CC2)CC1 ZINC000375500007 387546614 /nfs/dbraw/zinc/54/66/14/387546614.db2.gz WIUBKYNOMKQVDU-SNVBAGLBSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@@H]1CCN(C[C@@H]2CCCOC2)[C@@H](C(N)=O)C1 ZINC000426202822 387548968 /nfs/dbraw/zinc/54/89/68/387548968.db2.gz WUICLIUVKQKUAG-GRYCIOLGSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@@H]1CCN(C[C@H]2CCCOC2)[C@@H](C(N)=O)C1 ZINC000426202823 387549009 /nfs/dbraw/zinc/54/90/09/387549009.db2.gz WUICLIUVKQKUAG-IJLUTSLNSA-N 0 3 240.347 0.999 20 0 BCADHN CN(CCN1CCCC1=O)[C@@H]1CCCC[C@H]1O ZINC000426201694 387549112 /nfs/dbraw/zinc/54/91/12/387549112.db2.gz QEWUPNJXAIZISP-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000305099426 387553061 /nfs/dbraw/zinc/55/30/61/387553061.db2.gz AOQSOYULBRQWPO-MNOVXSKESA-N 0 3 228.336 0.746 20 0 BCADHN CC(C)CC[C@@H](C)NC(=O)C(=O)NCCN ZINC000036127920 387553725 /nfs/dbraw/zinc/55/37/25/387553725.db2.gz UFSJOYCIUNQAEZ-SECBINFHSA-N 0 3 229.324 0.002 20 0 BCADHN O=C1NC[C@]2(CCCN(C[C@H]3CCOC3)C2)O1 ZINC000375572740 387553898 /nfs/dbraw/zinc/55/38/98/387553898.db2.gz SFXOGTDLUVFOSS-PWSUYJOCSA-N 0 3 240.303 0.597 20 0 BCADHN C[C@@H](O)C1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000305100736 387554793 /nfs/dbraw/zinc/55/47/93/387554793.db2.gz BKXLUNHZJNDIJY-BXKDBHETSA-N 0 3 244.310 0.307 20 0 BCADHN CC[C@H](O)CNCc1ccc2c(c1)nnn2C ZINC000422081426 387556219 /nfs/dbraw/zinc/55/62/19/387556219.db2.gz CKPGBCXHGQPAHE-JTQLQIEISA-N 0 3 234.303 0.829 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000424114960 387556374 /nfs/dbraw/zinc/55/63/74/387556374.db2.gz SUEVROWCBCRDBC-WDEREUQCSA-N 0 3 243.270 0.553 20 0 BCADHN CON(C)C(=O)CCN1CCOC[C@H](C)C1 ZINC000375607645 387557009 /nfs/dbraw/zinc/55/70/09/387557009.db2.gz NIGFVZVUTUOGGD-SNVBAGLBSA-N 0 3 230.308 0.365 20 0 BCADHN C[C@H](O)CN(C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000361975694 387557797 /nfs/dbraw/zinc/55/77/97/387557797.db2.gz CBEWSIGPCUYPKO-UWVGGRQHSA-N 0 3 241.335 0.245 20 0 BCADHN CON(C)C(=O)CCN1CCOC[C@@H](C)C1 ZINC000375607644 387557999 /nfs/dbraw/zinc/55/79/99/387557999.db2.gz NIGFVZVUTUOGGD-JTQLQIEISA-N 0 3 230.308 0.365 20 0 BCADHN C[C@@H](NCC(=O)N1CCOCC1)[C@@H]1CCCO1 ZINC000035247548 387560050 /nfs/dbraw/zinc/56/00/50/387560050.db2.gz CLBQZWLVJOZWLG-MNOVXSKESA-N 0 3 242.319 0.002 20 0 BCADHN Cc1ccnc(C(=O)NC[C@H]2CCCN(C)C2)n1 ZINC000527452049 387560325 /nfs/dbraw/zinc/56/03/25/387560325.db2.gz NAIKVAJGTREHBN-LLVKDONJSA-N 0 3 248.330 0.857 20 0 BCADHN C[C@H](O)CN(C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000362008545 387561106 /nfs/dbraw/zinc/56/11/06/387561106.db2.gz GRVVLDPLKQGOHY-OUAUKWLOSA-N 0 3 243.351 0.491 20 0 BCADHN O=C1CO[C@H]2CCN(CCCCF)C[C@H]2N1 ZINC000375665782 387561887 /nfs/dbraw/zinc/56/18/87/387561887.db2.gz SXLVZYOTPAHEDN-ZJUUUORDSA-N 0 3 230.283 0.325 20 0 BCADHN COCC(C)(C)CN1CCN2C(=O)NC[C@@H]2C1 ZINC000426394713 387562443 /nfs/dbraw/zinc/56/24/43/387562443.db2.gz KOSJACIWSHQGSL-SNVBAGLBSA-N 0 3 241.335 0.368 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)[C@H](CO)SC ZINC000305146857 387563093 /nfs/dbraw/zinc/56/30/93/387563093.db2.gz YOCOLRIWKDWEKA-ZJUUUORDSA-N 0 3 248.392 0.557 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)CO ZINC000305149709 387563517 /nfs/dbraw/zinc/56/35/17/387563517.db2.gz OMIOLZOGHPROPY-ZJUUUORDSA-N 0 3 216.325 0.460 20 0 BCADHN C[C@@H](NC[C@@H](O)CN(C)C)c1cccnc1 ZINC000037889093 387568209 /nfs/dbraw/zinc/56/82/09/387568209.db2.gz ZUUOCBFUDYMENO-ZYHUDNBSSA-N 0 3 223.320 0.655 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)CCCC(N)=O ZINC000426452077 387569076 /nfs/dbraw/zinc/56/90/76/387569076.db2.gz WLQBTYMJBGZCIV-SNVBAGLBSA-N 0 3 241.335 0.195 20 0 BCADHN C[C@H]1CN(C[C@H]2CCCOC2)CCN1CCO ZINC000426456123 387569130 /nfs/dbraw/zinc/56/91/30/387569130.db2.gz DYUNYHKZWPZJBD-QWHCGFSZSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@@H](NC[C@H](O)CN(C)C)c1cncc(F)c1 ZINC000305171240 387569772 /nfs/dbraw/zinc/56/97/72/387569772.db2.gz ZVUMWVLVIPLMGD-SKDRFNHKSA-N 0 3 241.310 0.794 20 0 BCADHN CC(C)[C@@H](CO)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000362090556 387571784 /nfs/dbraw/zinc/57/17/84/387571784.db2.gz ZCVBVMQTFQLRJS-NWDGAFQWSA-N 0 3 242.363 0.804 20 0 BCADHN CC(C)[C@@H](CO)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000362092582 387572152 /nfs/dbraw/zinc/57/21/52/387572152.db2.gz AIRAXVVCFOLBOH-CMPLNLGQSA-N 0 3 242.363 0.850 20 0 BCADHN COC(C)(C)CCN1CCOC[C@H](O)C1 ZINC000399851470 387574720 /nfs/dbraw/zinc/57/47/20/387574720.db2.gz KMYXASAKOCEXHX-SNVBAGLBSA-N 0 3 217.309 0.495 20 0 BCADHN CCC(C)(CC)NC(=O)NC[C@H]1CNCCO1 ZINC000418775986 387575931 /nfs/dbraw/zinc/57/59/31/387575931.db2.gz WUFFLELGDZLPTB-SNVBAGLBSA-N 0 3 243.351 0.853 20 0 BCADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)CC[C@@H]1C)N(C)C ZINC000422113829 387575934 /nfs/dbraw/zinc/57/59/34/387575934.db2.gz KJTLRZSUMFDOHW-SRVKXCTJSA-N 0 3 242.363 0.944 20 0 BCADHN CC1(C)CC[C@H](CN2CCOC[C@H](O)C2)O1 ZINC000399858740 387575858 /nfs/dbraw/zinc/57/58/58/387575858.db2.gz KUWWWLXWNXWCLB-GHMZBOCLSA-N 0 3 229.320 0.637 20 0 BCADHN CCC(C)(CC)NC(=O)NC[C@@H]1CNCCO1 ZINC000418775985 387576006 /nfs/dbraw/zinc/57/60/06/387576006.db2.gz WUFFLELGDZLPTB-JTQLQIEISA-N 0 3 243.351 0.853 20 0 BCADHN CCN(C)CCNC(=O)[C@@H](CO)C(C)C ZINC000362130667 387576577 /nfs/dbraw/zinc/57/65/77/387576577.db2.gz SGWAWROBAGIUMA-JTQLQIEISA-N 0 3 216.325 0.319 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@H](C(C)C)N(C)C ZINC000122681138 387576597 /nfs/dbraw/zinc/57/65/97/387576597.db2.gz GZCFCYSPKDTFAS-QWRGUYRKSA-N 0 3 230.352 0.850 20 0 BCADHN C[C@@H](CN1CCCC[C@@H]1CN)CS(C)(=O)=O ZINC000430644285 387635024 /nfs/dbraw/zinc/63/50/24/387635024.db2.gz MVYISNNYYRAZGY-WDEREUQCSA-N 0 3 248.392 0.480 20 0 BCADHN C[C@H](CN1CCCC[C@@H]1CN)CS(C)(=O)=O ZINC000430644282 387636303 /nfs/dbraw/zinc/63/63/03/387636303.db2.gz MVYISNNYYRAZGY-GHMZBOCLSA-N 0 3 248.392 0.480 20 0 BCADHN Cn1nccc1CNC[C@H](O)[C@H]1CCCO1 ZINC000527758228 387694903 /nfs/dbraw/zinc/69/49/03/387694903.db2.gz JGBSLIMWXHYBQA-WDEREUQCSA-N 0 3 225.292 0.050 20 0 BCADHN NCC(=O)N1CCC(Oc2ccccn2)CC1 ZINC000430684967 387638913 /nfs/dbraw/zinc/63/89/13/387638913.db2.gz GHIHLHGMNIOIMN-UHFFFAOYSA-N 0 3 235.287 0.410 20 0 BCADHN CN(C)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000123038184 387639275 /nfs/dbraw/zinc/63/92/75/387639275.db2.gz SVIJFDIBCUZCRN-SECBINFHSA-N 0 3 232.349 0.505 20 0 BCADHN CC[C@@H](C(=O)NCCOCCOC)N(C)C ZINC000124966825 387639334 /nfs/dbraw/zinc/63/93/34/387639334.db2.gz LAZANZUOIPZBIK-JTQLQIEISA-N 0 3 232.324 0.106 20 0 BCADHN CN(CCN1CCCC1)C(=O)C1(O)CCC1 ZINC000356315215 387641791 /nfs/dbraw/zinc/64/17/91/387641791.db2.gz FBKFHBXQCQAJBZ-UHFFFAOYSA-N 0 3 226.320 0.456 20 0 BCADHN CC(C)n1cc(CN[C@H](C)CC(N)=O)cn1 ZINC000125140949 387646653 /nfs/dbraw/zinc/64/66/53/387646653.db2.gz PBUHMWRADOEFNY-SECBINFHSA-N 0 3 224.308 0.818 20 0 BCADHN COC(=O)[C@@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC000362664746 387647393 /nfs/dbraw/zinc/64/73/93/387647393.db2.gz BMUFCCCNGQSREE-NSHDSACASA-N 0 3 242.319 0.394 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)Cc1ccncc1 ZINC000430778207 387648455 /nfs/dbraw/zinc/64/84/55/387648455.db2.gz PMFBACNABWRKAN-KOLCDFICSA-N 0 3 221.304 0.866 20 0 BCADHN O=C1CC[C@H]2CN(CCO)CC[C@@H]2N1C1CC1 ZINC000125280580 387648679 /nfs/dbraw/zinc/64/86/79/387648679.db2.gz NMFAXDOOQSTVTP-JQWIXIFHSA-N 0 3 238.331 0.454 20 0 BCADHN CN(C)CCNC(=O)[C@H]1C[C@@]1(C)Br ZINC000527642104 387649666 /nfs/dbraw/zinc/64/96/66/387649666.db2.gz KADHXDFXGKDALD-VXNVDRBHSA-N 0 3 249.152 0.838 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1C[C@@]1(C)Br ZINC000527642103 387650097 /nfs/dbraw/zinc/65/00/97/387650097.db2.gz KADHXDFXGKDALD-IONNQARKSA-N 0 3 249.152 0.838 20 0 BCADHN COC(=O)C1(O)CCN(CCCSC)CC1 ZINC000377143180 387695315 /nfs/dbraw/zinc/69/53/15/387695315.db2.gz WUAGPRBQPHSHFW-UHFFFAOYSA-N 0 3 247.360 0.739 20 0 BCADHN CCOCCNC(=O)CN(CC)CC ZINC000125302446 387651866 /nfs/dbraw/zinc/65/18/66/387651866.db2.gz JFLZHMRMXLNFJU-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN Cn1cc([C@H]2CCN(C(=O)C(C)(C)N)C2)cn1 ZINC000430804025 387654580 /nfs/dbraw/zinc/65/45/80/387654580.db2.gz BTTNZMRJCHVSHB-VIFPVBQESA-N 0 3 236.319 0.473 20 0 BCADHN Cc1ocnc1CNC(=O)[C@@]1(F)CCNC1 ZINC000125419675 387656352 /nfs/dbraw/zinc/65/63/52/387656352.db2.gz VYEUWQUHTAZUBJ-SNVBAGLBSA-N 0 3 227.239 0.301 20 0 BCADHN COc1ccc(CNC(=O)[C@@H]2C[C@@H]2N)c(F)c1 ZINC000424135915 387656524 /nfs/dbraw/zinc/65/65/24/387656524.db2.gz ZZVNRNNTWXHTFS-KOLCDFICSA-N 0 3 238.262 0.798 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1CC[C@@H]([C@H](C)O)C1 ZINC000305819066 387657620 /nfs/dbraw/zinc/65/76/20/387657620.db2.gz AWTSEQFRMVRRKP-GRYCIOLGSA-N 0 3 242.363 0.944 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000430890634 387657969 /nfs/dbraw/zinc/65/79/69/387657969.db2.gz RHEYCIBDLHKVTP-NEPJUHHUSA-N 0 3 239.363 0.665 20 0 BCADHN O=C1CCCN1C[C@H]1CCCCN1CCCO ZINC000362775805 387658539 /nfs/dbraw/zinc/65/85/39/387658539.db2.gz RDEXNRJICQYKCL-GFCCVEGCSA-N 0 3 240.347 0.846 20 0 BCADHN CCCCNC(=O)C1(N)CCOCC1 ZINC000149634147 387659553 /nfs/dbraw/zinc/65/95/53/387659553.db2.gz PJNPGFAJHYUOSY-UHFFFAOYSA-N 0 3 200.282 0.411 20 0 BCADHN CCC(CC)[C@@H](O)CNC(=O)[C@@H]1C[C@@H]1N ZINC000424136479 387660250 /nfs/dbraw/zinc/66/02/50/387660250.db2.gz KRHGWPPFQLGHCJ-UTLUCORTSA-N 0 3 214.309 0.247 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@@H](CC)COC ZINC000422760200 387663312 /nfs/dbraw/zinc/66/33/12/387663312.db2.gz KPWJRIQZGQXCCA-HBNTYKKESA-N 0 3 244.335 0.295 20 0 BCADHN C[C@H](Cc1ccncc1)NC(=O)[C@@H]1C[C@@H]1N ZINC000424137946 387667106 /nfs/dbraw/zinc/66/71/06/387667106.db2.gz CPFURONYWQQZRG-IEBDPFPHSA-N 0 3 219.288 0.476 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@]1(C)C[C@H]1F ZINC000424791117 387671301 /nfs/dbraw/zinc/67/13/01/387671301.db2.gz XYLZUFOTSBGNAN-KOLCDFICSA-N 0 3 232.299 0.165 20 0 BCADHN Cn1cc(CNC[C@@H](O)[C@@H]2CCCO2)cn1 ZINC000527757351 387696054 /nfs/dbraw/zinc/69/60/54/387696054.db2.gz DOYAGKWHMQJCFF-MNOVXSKESA-N 0 3 225.292 0.050 20 0 BCADHN COC(=O)CC1(CN(C)CCO)CC1 ZINC000440714108 387680214 /nfs/dbraw/zinc/68/02/14/387680214.db2.gz PIXRUMKBKBLUJQ-UHFFFAOYSA-N 0 3 201.266 0.254 20 0 BCADHN Cc1c[nH]nc1CNCC1(N(C)C)CC1 ZINC000418113707 387680746 /nfs/dbraw/zinc/68/07/46/387680746.db2.gz JSDDVNCXHWBYDM-UHFFFAOYSA-N 0 3 208.309 0.902 20 0 BCADHN COC(=O)CC1(CN2CCN(C)C[C@H]2C)CC1 ZINC000440714645 387681205 /nfs/dbraw/zinc/68/12/05/387681205.db2.gz VEBMXVCDTLBLBH-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@H](F)CN1CCC(C(N)=O)CC1 ZINC000440716797 387682390 /nfs/dbraw/zinc/68/23/90/387682390.db2.gz ZGGKXXKKOQFBAJ-VIFPVBQESA-N 0 3 202.273 0.932 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCCCC(=O)OC ZINC000451936844 387683997 /nfs/dbraw/zinc/68/39/97/387683997.db2.gz KVLOEJRSTKKTFO-NXEZZACHSA-N 0 3 231.292 0.333 20 0 BCADHN Cc1ncc(CNC[C@@H](O)[C@H]2CCCO2)n1C ZINC000527757779 387696386 /nfs/dbraw/zinc/69/63/86/387696386.db2.gz ROOHDMNVQPRELY-VXGBXAGGSA-N 0 3 239.319 0.358 20 0 BCADHN C[C@@H](O)C(C)(C)NC(=O)CC1CCN(C)CC1 ZINC000362992447 387685167 /nfs/dbraw/zinc/68/51/67/387685167.db2.gz KYDMFJMMOFNZJT-SNVBAGLBSA-N 0 3 242.363 0.994 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@@H]1CC[C@@H](C)O1 ZINC000451947515 387686508 /nfs/dbraw/zinc/68/65/08/387686508.db2.gz PGIIFGRIGOIVDE-WRWGMCAJSA-N 0 3 229.320 0.947 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@H]1CC[C@H](C)O1 ZINC000451947513 387687597 /nfs/dbraw/zinc/68/75/97/387687597.db2.gz PGIIFGRIGOIVDE-IRCOFANPSA-N 0 3 229.320 0.947 20 0 BCADHN COCC1(NCc2c(C)cnn2C)CC1 ZINC000380359849 387689321 /nfs/dbraw/zinc/68/93/21/387689321.db2.gz XWECJPBPQZQLKD-UHFFFAOYSA-N 0 3 209.293 0.997 20 0 BCADHN COC[C@H](C)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451990752 387692389 /nfs/dbraw/zinc/69/23/89/387692389.db2.gz JTZXEPMTXPRJAY-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN CC[C@@H](O)CN1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451980846 387692877 /nfs/dbraw/zinc/69/28/77/387692877.db2.gz AJPZXGOFLWAKFH-GHMZBOCLSA-N 0 3 243.351 0.493 20 0 BCADHN Cc1c([C@H]2OCC[C@@H]2NCCCO)cnn1C ZINC000431969851 387742709 /nfs/dbraw/zinc/74/27/09/387742709.db2.gz APRHAARYWIDDNB-NWDGAFQWSA-N 0 3 239.319 0.531 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H](CCCO)C1 ZINC000452115464 387744295 /nfs/dbraw/zinc/74/42/95/387744295.db2.gz BSGHHHUKWYQAMQ-LLVKDONJSA-N 0 3 228.336 0.559 20 0 BCADHN CC(C)[C@](C)(CN)NC(=O)C(=O)NCC1CC1 ZINC000422860313 387744429 /nfs/dbraw/zinc/74/44/29/387744429.db2.gz HZYANXXEEHDTEO-LBPRGKRZSA-N 0 3 241.335 0.002 20 0 BCADHN CCCNC(=O)CN1CC[C@H](CCCO)C1 ZINC000452127738 387748252 /nfs/dbraw/zinc/74/82/52/387748252.db2.gz LKAXKFDJUYALAK-NSHDSACASA-N 0 3 228.336 0.607 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1cc(F)ccc1F ZINC000424143296 387749214 /nfs/dbraw/zinc/74/92/14/387749214.db2.gz QRCINZAKARVAIU-GXSJLCMTSA-N 0 3 240.253 0.971 20 0 BCADHN Cc1noc(C)c1CNC[C@@H](O)[C@H]1CCCO1 ZINC000527759183 387697376 /nfs/dbraw/zinc/69/73/76/387697376.db2.gz NSLBHHLZSLNQDW-VXGBXAGGSA-N 0 3 240.303 0.921 20 0 BCADHN Cn1ccc(CNC[C@H](O)[C@H]2CCCO2)c1 ZINC000527759269 387697401 /nfs/dbraw/zinc/69/74/01/387697401.db2.gz RWVUJXXTMKAQRM-NWDGAFQWSA-N 0 3 224.304 0.655 20 0 BCADHN Cc1n[nH]cc1CNC[C@H](O)[C@@H]1CCCO1 ZINC000527759764 387698787 /nfs/dbraw/zinc/69/87/87/387698787.db2.gz VEOUCGNEUHCETD-QWRGUYRKSA-N 0 3 225.292 0.348 20 0 BCADHN CC(C)(O)CN1CCN2C(=O)CC[C@@H]2C1 ZINC000123474491 387699541 /nfs/dbraw/zinc/69/95/41/387699541.db2.gz WWVBWQZJLWADBV-SECBINFHSA-N 0 3 212.293 0.064 20 0 BCADHN COC(=O)CC1(CN2C[C@H](C)[C@H](O)C2)CC1 ZINC000440786927 387700007 /nfs/dbraw/zinc/70/00/07/387700007.db2.gz ULUACLWCNFMUIM-VHSXEESVSA-N 0 3 227.304 0.642 20 0 BCADHN Cc1nccn1CCCNC(=O)[C@@H]1C[C@@H]1N ZINC000424141121 387700402 /nfs/dbraw/zinc/70/04/02/387700402.db2.gz WVECMTNJWYVLAL-ZJUUUORDSA-N 0 3 222.292 0.045 20 0 BCADHN C[C@@H](F)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000356683867 387700371 /nfs/dbraw/zinc/70/03/71/387700371.db2.gz YELXDBKLYWAXBT-MNOVXSKESA-N 0 3 243.326 0.241 20 0 BCADHN CSCCCN1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000377224939 387702964 /nfs/dbraw/zinc/70/29/64/387702964.db2.gz OYOVLJVBCHLGFU-VHSXEESVSA-N 0 3 244.360 0.329 20 0 BCADHN Cn1nccc1CNCC12CC(C1)CO2 ZINC000527786174 387712233 /nfs/dbraw/zinc/71/22/33/387712233.db2.gz AJRYBTPEEPUDBZ-UHFFFAOYSA-N 0 3 207.277 0.689 20 0 BCADHN CCN(CCCOC)[C@H]1CCNC1=O ZINC000440959725 387715339 /nfs/dbraw/zinc/71/53/39/387715339.db2.gz PATLPRARKHUAHA-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CCN(CC[C@H]1CCCO1)[C@@H]1CCNC1=O ZINC000440958367 387717766 /nfs/dbraw/zinc/71/77/66/387717766.db2.gz KBRGWUSRTKUEFW-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN CCO[C@H]1C[C@H]1C(=O)N1CCCN(CC)CC1 ZINC000377474845 387718761 /nfs/dbraw/zinc/71/87/61/387718761.db2.gz CJEXZZFRDOHUKH-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CC(=O)[C@](C)(O)CN1C[C@H](O)C[C@H](C)C1 ZINC000452064803 387719852 /nfs/dbraw/zinc/71/98/52/387719852.db2.gz ACACDXLSAJNCIN-JMJZKYOTSA-N 0 3 215.293 0.029 20 0 BCADHN CCN(CCCSC)[C@@H]1CCNC1=O ZINC000440969869 387720753 /nfs/dbraw/zinc/72/07/53/387720753.db2.gz QQQSTLMNSBDOIF-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN C[NH2+]C[C@@H](C)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000422828246 387721775 /nfs/dbraw/zinc/72/17/75/387721775.db2.gz ODLANRLRZDJUGF-MRVPVSSYSA-N 0 3 247.302 0.543 20 0 BCADHN O=C(NCC1COC1)N[C@H]1CCN(C2CC2)C1 ZINC000527801659 387722644 /nfs/dbraw/zinc/72/26/44/387722644.db2.gz SKLCTDJMCGFANS-JTQLQIEISA-N 0 3 239.319 0.169 20 0 BCADHN C[C@@H]1C[C@@H](O)CN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000452066165 387723711 /nfs/dbraw/zinc/72/37/11/387723711.db2.gz JRPIQVOSADHGDD-YUSALJHKSA-N 0 3 238.331 0.452 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000356813026 387725012 /nfs/dbraw/zinc/72/50/12/387725012.db2.gz IVWZMWPODXFESN-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN CCOCCN1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000367606291 387726612 /nfs/dbraw/zinc/72/66/12/387726612.db2.gz VZGXVHIHVSYEFM-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@H]1[C@@H](C)N(C(=O)[C@@H]2CCCN2C)CCN1C ZINC000356845843 387729845 /nfs/dbraw/zinc/72/98/45/387729845.db2.gz JAQPXBKHQBURAP-UTUOFQBUSA-N 0 3 239.363 0.632 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCN1C1CCCC1 ZINC000527807190 387730800 /nfs/dbraw/zinc/73/08/00/387730800.db2.gz NEHJYYYTPNKGAC-LBPRGKRZSA-N 0 3 249.362 0.922 20 0 BCADHN CC(C)N1CC[C@H](N(C)S(=O)(=O)N(C)C)C1 ZINC000452098325 387734578 /nfs/dbraw/zinc/73/45/78/387734578.db2.gz TUFUZCHJZLCKPH-JTQLQIEISA-N 0 3 249.380 0.207 20 0 BCADHN FC(F)Cn1cc(CNCC2COC2)cn1 ZINC000527816580 387735466 /nfs/dbraw/zinc/73/54/66/387735466.db2.gz ANXAVTRFZNNMCJ-UHFFFAOYSA-N 0 3 231.246 0.884 20 0 BCADHN COC[C@@H]1CCCN(CC(=O)N(C)C)CC1 ZINC000452098780 387736257 /nfs/dbraw/zinc/73/62/57/387736257.db2.gz ZXFRGGXWSMVMFV-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CC(C(=O)N1CCC[C@H]1C1CC1)S(C)(=O)=O ZINC000377686201 387739236 /nfs/dbraw/zinc/73/92/36/387739236.db2.gz JOSVCKHJDSRGIN-WPRPVWTQSA-N 0 3 245.344 0.821 20 0 BCADHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCCO ZINC000431952235 387739822 /nfs/dbraw/zinc/73/98/22/387739822.db2.gz JRPSWTDLPFIPCN-JQWIXIFHSA-N 0 3 239.319 0.449 20 0 BCADHN O=C1NC[C@@H]2CN(CCOC3CCC3)CC[C@H]12 ZINC000377681137 387741012 /nfs/dbraw/zinc/74/10/12/387741012.db2.gz QQQNCUYODMKBTO-PWSUYJOCSA-N 0 3 238.331 0.623 20 0 BCADHN C[C@@H](CN1CCOCC1)N1CCCOCC1 ZINC000367662371 387742063 /nfs/dbraw/zinc/74/20/63/387742063.db2.gz WIKHFYISYWYMEM-LBPRGKRZSA-N 0 3 228.336 0.429 20 0 BCADHN COC(=O)Cc1cccc(NC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000424144939 387762401 /nfs/dbraw/zinc/76/24/01/387762401.db2.gz TYMLATCFADVNCC-MNOVXSKESA-N 0 3 248.282 0.688 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NC1CCC1 ZINC000422959399 387811926 /nfs/dbraw/zinc/81/19/26/387811926.db2.gz RWJKZGFGJGBXSG-VHSXEESVSA-N 0 3 212.293 0.422 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](COC)C1CC1 ZINC000441545218 387768554 /nfs/dbraw/zinc/76/85/54/387768554.db2.gz KSYUTRFKEBCTPV-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CCC(C)(C)CCN1CCO[C@H](C(N)=O)C1 ZINC000441543379 387768751 /nfs/dbraw/zinc/76/87/51/387768751.db2.gz HQWBOACBZXDYJM-JTQLQIEISA-N 0 3 228.336 0.999 20 0 BCADHN O=C1NC[C@H](CN2CC[C@H]3OCCC[C@H]3C2)O1 ZINC000378278884 387772988 /nfs/dbraw/zinc/77/29/88/387772988.db2.gz DAAKXYJUKOTTIP-HBNTYKKESA-N 0 3 240.303 0.596 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NC1CC(C)C1 ZINC000422918181 387773493 /nfs/dbraw/zinc/77/34/93/387773493.db2.gz GUMLDTBFWIVKEQ-WFBLGPOFSA-N 0 3 226.320 0.668 20 0 BCADHN C[C@@H](C(N)=O)N1CCC[C@](C)(O)CC1 ZINC000300238987 387773820 /nfs/dbraw/zinc/77/38/20/387773820.db2.gz WQIYHCCBTIPEGE-WPRPVWTQSA-N 0 3 200.282 0.097 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCC2(CC2)CC1 ZINC000378326682 387777232 /nfs/dbraw/zinc/77/72/32/387777232.db2.gz ORSOETJNKYFPIS-MRVPVSSYSA-N 0 3 225.292 0.446 20 0 BCADHN CCN(CC)CC(=O)NCC[C@@H](C)CCO ZINC000452244475 387778903 /nfs/dbraw/zinc/77/89/03/387778903.db2.gz DOEPDKAMOVTDRR-LLVKDONJSA-N 0 3 230.352 0.853 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@@H](O)[C@H]1CCCO1 ZINC000527958197 387785304 /nfs/dbraw/zinc/78/53/04/387785304.db2.gz VDSRLOVXJJBOLE-XXILOJSOSA-N 0 3 239.319 0.909 20 0 BCADHN CCC[C@H](NC(C)C)C(=O)N[C@H](CC)C(N)=O ZINC000452267691 387785514 /nfs/dbraw/zinc/78/55/14/387785514.db2.gz DRDQAUIYQNIOIH-ZJUUUORDSA-N 0 3 243.351 0.533 20 0 BCADHN CCn1nncc1CN[C@H](C)Cc1cnccn1 ZINC000527916530 387788399 /nfs/dbraw/zinc/78/83/99/387788399.db2.gz PUGFRDMQSZISBI-SNVBAGLBSA-N 0 3 246.318 0.809 20 0 BCADHN CCCCCN1CCN(CCO)CC1 ZINC000049773759 387788640 /nfs/dbraw/zinc/78/86/40/387788640.db2.gz FICQNLVUKAPQCT-UHFFFAOYSA-N 0 3 200.326 0.787 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N(C)CCCO)CCN1C ZINC000442136682 387789307 /nfs/dbraw/zinc/78/93/07/387789307.db2.gz ZJYHVMXSFLABEO-MNOVXSKESA-N 0 3 243.351 0.493 20 0 BCADHN COC(=O)[C@@H](C)CN1CCCN(C(C)=O)CC1 ZINC000049932690 387789560 /nfs/dbraw/zinc/78/95/60/387789560.db2.gz NEJYJNWAPSOPOX-JTQLQIEISA-N 0 3 242.319 0.350 20 0 BCADHN CCn1nncc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000527921347 387789886 /nfs/dbraw/zinc/78/98/86/387789886.db2.gz WVXHOILKWOHDTF-ONGXEEELSA-N 0 3 224.308 0.955 20 0 BCADHN CCn1nncc1CN[C@H](COC)C1CC1 ZINC000527921001 387789908 /nfs/dbraw/zinc/78/99/08/387789908.db2.gz RZSPFRSRCKLHGG-LLVKDONJSA-N 0 3 224.308 0.813 20 0 BCADHN CC(C)[C@@H](C(=O)NCCC1CC(O)C1)N(C)C ZINC000432435545 387791088 /nfs/dbraw/zinc/79/10/88/387791088.db2.gz IBRHWZCJSZVANS-MCIGGMRASA-N 0 3 242.363 0.850 20 0 BCADHN O=C1[N-]C(=O)C2(CC[NH+](CC3=CCCC3)CC2)N1 ZINC000645841630 387792217 /nfs/dbraw/zinc/79/22/17/387792217.db2.gz ZKBSZZNLHUHHAB-UHFFFAOYSA-N 0 3 249.314 0.771 20 0 BCADHN CC[C@H](CO)N(C)C(=O)CN(CC)CC ZINC000452286907 387792810 /nfs/dbraw/zinc/79/28/10/387792810.db2.gz ZRNIRYIWDSJTMP-SNVBAGLBSA-N 0 3 216.325 0.558 20 0 BCADHN CCc1nc(CCNC(=O)[C@@H]2C[C@@H]2N)cs1 ZINC000424152050 387793066 /nfs/dbraw/zinc/79/30/66/387793066.db2.gz HWRSIHZFIIYWHH-BDAKNGLRSA-N 0 3 239.344 0.711 20 0 BCADHN CO[C@H](C)CN[C@@H]1C(=O)NCC[C@@H]1C ZINC000193600699 387798372 /nfs/dbraw/zinc/79/83/72/387798372.db2.gz FJRPQMXCMRRMJB-YIZRAAEISA-N 0 3 200.282 0.136 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCCN1CCCCC1 ZINC000193646363 387798415 /nfs/dbraw/zinc/79/84/15/387798415.db2.gz HUHGXLROLBFSLG-VXGBXAGGSA-N 0 3 239.363 0.587 20 0 BCADHN CO[C@H](C)CN[C@H]1C(=O)NCC[C@H]1C ZINC000193600659 387798433 /nfs/dbraw/zinc/79/84/33/387798433.db2.gz FJRPQMXCMRRMJB-IWSPIJDZSA-N 0 3 200.282 0.136 20 0 BCADHN NC(=O)N[C@H]1CCN(CCC[C@@H]2CCOC2)C1 ZINC000645842723 387799078 /nfs/dbraw/zinc/79/90/78/387799078.db2.gz MAJYFSGOBGUVTO-MNOVXSKESA-N 0 3 241.335 0.546 20 0 BCADHN CSCCN[C@@H]1C(=O)NCC[C@@H]1C ZINC000193661657 387799301 /nfs/dbraw/zinc/79/93/01/387799301.db2.gz WPVGSWXFMOGPTR-YUMQZZPRSA-N 0 3 202.323 0.464 20 0 BCADHN CC(C)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452354907 387808254 /nfs/dbraw/zinc/80/82/54/387808254.db2.gz WMWJLZXLYZEDCK-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN C[C@H](NC[C@@H](O)[C@@H]1CCCO1)c1cn[nH]c1 ZINC000527959816 387809514 /nfs/dbraw/zinc/80/95/14/387809514.db2.gz ZARJKMYFDIAZMY-GDPRMGEGSA-N 0 3 225.292 0.600 20 0 BCADHN CC[C@@H](C(=O)NCCCO)N(CC)CC ZINC000432694137 387810676 /nfs/dbraw/zinc/81/06/76/387810676.db2.gz FNWGUOKUUHSEFN-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN C[C@@H]1CN(Cc2c[nH]cn2)[C@@H](C)CN1CCO ZINC000418116282 387758279 /nfs/dbraw/zinc/75/82/79/387758279.db2.gz QKXJWXZADHSRAJ-MNOVXSKESA-N 0 3 238.335 0.297 20 0 BCADHN C[C@@H]1CN(Cc2cnc[nH]2)[C@@H](C)CN1CCO ZINC000418116282 387758285 /nfs/dbraw/zinc/75/82/85/387758285.db2.gz QKXJWXZADHSRAJ-MNOVXSKESA-N 0 3 238.335 0.297 20 0 BCADHN C[C@H](N[C@@H]1C[C@H](C)N(C2CC2)C1)C(=O)N(C)C ZINC000129047729 387760774 /nfs/dbraw/zinc/76/07/74/387760774.db2.gz ZVAYQMUYGUJKOU-GARJFASQSA-N 0 3 239.363 0.678 20 0 BCADHN COC[C@@H]1CN(C[C@@H](O)C(C)C)C[C@@H](C)O1 ZINC000432789303 387820404 /nfs/dbraw/zinc/82/04/04/387820404.db2.gz RADFTULWIVXZAI-GRYCIOLGSA-N 0 3 231.336 0.739 20 0 BCADHN CC(C)[C@H](O)CN1CCN(CCO)[C@H](C)C1 ZINC000432791588 387820734 /nfs/dbraw/zinc/82/07/34/387820734.db2.gz GWEISQGNENNMKW-VXGBXAGGSA-N 0 3 230.352 0.002 20 0 BCADHN CC(C)[C@H](O)CN1CCN(C[C@@H](C)O)CC1 ZINC000432795577 387822479 /nfs/dbraw/zinc/82/24/79/387822479.db2.gz XAPPAIIJGJFNNP-VXGBXAGGSA-N 0 3 230.352 0.002 20 0 BCADHN CCN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@@H]1N ZINC000424156149 387822601 /nfs/dbraw/zinc/82/26/01/387822601.db2.gz NQWIPGVVKHRKIV-ZJUUUORDSA-N 0 3 222.292 0.116 20 0 BCADHN CC[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN ZINC000422973553 387823748 /nfs/dbraw/zinc/82/37/48/387823748.db2.gz CBYFMQDLCDTPAR-SNVBAGLBSA-N 0 3 241.335 0.195 20 0 BCADHN CCOCCOCCN(C)C[C@@H](O)C(C)C ZINC000432805813 387824807 /nfs/dbraw/zinc/82/48/07/387824807.db2.gz QJIJUNJULFHYSH-GFCCVEGCSA-N 0 3 233.352 0.988 20 0 BCADHN CCC[C@](C)(O)C(=O)NC[C@@H](C)N(C)C ZINC000432808504 387825193 /nfs/dbraw/zinc/82/51/93/387825193.db2.gz SLAMLCAKUUPJJO-KOLCDFICSA-N 0 3 216.325 0.604 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)CCCO)N(C)C ZINC000452441395 387825900 /nfs/dbraw/zinc/82/59/00/387825900.db2.gz LQWBBBCWSYLBTI-WDEREUQCSA-N 0 3 230.352 0.851 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H](C)CCCO ZINC000452445949 387826470 /nfs/dbraw/zinc/82/64/70/387826470.db2.gz XSNQIQAFMCKQDX-LLVKDONJSA-N 0 3 230.352 0.851 20 0 BCADHN C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C(N)=O ZINC000157538333 387827227 /nfs/dbraw/zinc/82/72/27/387827227.db2.gz QHGJSIDTZRXWKH-JXUBOQSCSA-N 0 3 241.335 0.238 20 0 BCADHN CC(C)C[C@@H](CNCc1cn(C)nn1)N(C)C ZINC000054859037 387829360 /nfs/dbraw/zinc/82/93/60/387829360.db2.gz YLKXFJXBASAXNH-LBPRGKRZSA-N 0 3 239.367 0.881 20 0 BCADHN COCCN(CC1(C)CCC1)[C@@H](C)C(N)=O ZINC000432825071 387830881 /nfs/dbraw/zinc/83/08/81/387830881.db2.gz RUIYYVZPIDCUFU-JTQLQIEISA-N 0 3 228.336 0.999 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@@H](C)[C@@H](C)OC ZINC000423073164 387873221 /nfs/dbraw/zinc/87/32/21/387873221.db2.gz QUYAUZYIEHRYEF-LNFKQOIKSA-N 0 3 244.335 0.293 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2ccccc2)C1 ZINC000424159050 387838009 /nfs/dbraw/zinc/83/80/09/387838009.db2.gz SGGCLYIYISBDAF-WCFLWFBJSA-N 0 3 245.326 0.729 20 0 BCADHN Cc1ncc(CN[C@H]2CCC[C@@H]2C[NH3+])c(=O)[n-]1 ZINC000423026107 387843982 /nfs/dbraw/zinc/84/39/82/387843982.db2.gz ALTCIUBREJFWKF-KOLCDFICSA-N 0 3 236.319 0.708 20 0 BCADHN Cc1ncc(CN[C@@H](C)C[C@@H](C)[NH3+])c(=O)[n-]1 ZINC000423028810 387846270 /nfs/dbraw/zinc/84/62/70/387846270.db2.gz HEQVPAJUGKVQHZ-SFYZADRCSA-N 0 3 224.308 0.706 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)CCCCO)N(C)C ZINC000452518506 387847092 /nfs/dbraw/zinc/84/70/92/387847092.db2.gz YCOWPZMQOXSGOX-GHMZBOCLSA-N 0 3 230.352 0.994 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000424164900 387848914 /nfs/dbraw/zinc/84/89/14/387848914.db2.gz AKXKCUTWCYODRO-NNYUYHANSA-N 0 3 240.347 0.781 20 0 BCADHN CCC[C@@](C)(O)C(=O)NCCN(C)C1CC1 ZINC000433017852 387850933 /nfs/dbraw/zinc/85/09/33/387850933.db2.gz AZVFOXYBYVFFTI-GFCCVEGCSA-N 0 3 228.336 0.748 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@H]1NCCOC(C)C ZINC000423040526 387852600 /nfs/dbraw/zinc/85/26/00/387852600.db2.gz ULPIDNORCOSGHT-MNOVXSKESA-N 0 3 244.335 0.295 20 0 BCADHN CNS(=O)(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000062350300 387854074 /nfs/dbraw/zinc/85/40/74/387854074.db2.gz ZGITUNULIDARRW-SNVBAGLBSA-N 0 3 249.380 0.161 20 0 BCADHN CNS(=O)(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000062350296 387854280 /nfs/dbraw/zinc/85/42/80/387854280.db2.gz ZGITUNULIDARRW-JTQLQIEISA-N 0 3 249.380 0.161 20 0 BCADHN Cc1cnc(CCNC2(C(N)=O)CC2)c(C)c1 ZINC000645847855 387857474 /nfs/dbraw/zinc/85/74/74/387857474.db2.gz LKLRDXLWMBCQMZ-UHFFFAOYSA-N 0 3 233.315 0.848 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@@H](N)C(C)C ZINC000157625087 387858334 /nfs/dbraw/zinc/85/83/34/387858334.db2.gz ZWIXNWIRAPJYFV-IUCAKERBSA-N 0 3 202.298 0.247 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@@H]1CCCCN1 ZINC000157618986 387858549 /nfs/dbraw/zinc/85/85/49/387858549.db2.gz LTIMZVHGGYZNIS-ZJUUUORDSA-N 0 3 214.309 0.406 20 0 BCADHN C[C@H]1CN(C(=O)C(C)(C)O)CCN(C2CC2)C1 ZINC000452570007 387860435 /nfs/dbraw/zinc/86/04/35/387860435.db2.gz GGNAJSARICLRJX-SNVBAGLBSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CN(C(=O)C(C)(C)O)CCN(C2CC2)C1 ZINC000452570006 387860565 /nfs/dbraw/zinc/86/05/65/387860565.db2.gz GGNAJSARICLRJX-JTQLQIEISA-N 0 3 240.347 0.700 20 0 BCADHN CCCC[C@@H](N)C(=O)NCc1nnc(C)n1C ZINC000393194986 387864060 /nfs/dbraw/zinc/86/40/60/387864060.db2.gz YVEKWDJXYCHXDA-SECBINFHSA-N 0 3 239.323 0.257 20 0 BCADHN CCOC[C@H](C)N[C@H]1CCN[C@H]1C(=O)OCC ZINC000423061150 387864595 /nfs/dbraw/zinc/86/45/95/387864595.db2.gz JYAORQLIXDYXHP-GARJFASQSA-N 0 3 244.335 0.295 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)CC[C@@H](C)O ZINC000157701243 387865680 /nfs/dbraw/zinc/86/56/80/387865680.db2.gz NYZPSFCVWDYTAF-BDAKNGLRSA-N 0 3 202.298 0.199 20 0 BCADHN C[C@]1(C(=O)N[C@@H]2CNCCC2(F)F)C[C@H]1F ZINC000424169967 387865666 /nfs/dbraw/zinc/86/56/66/387865666.db2.gz APSOUOGGCUBHTO-BHNWBGBOSA-N 0 3 236.237 0.848 20 0 BCADHN CCN(CC)CC(=O)N(C1CC1)C1COC1 ZINC000452589922 387865926 /nfs/dbraw/zinc/86/59/26/387865926.db2.gz MPUZMSDIWYZMJR-UHFFFAOYSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000157700622 387866462 /nfs/dbraw/zinc/86/64/62/387866462.db2.gz UEJYPJWLJVCNML-OPRDCNLKSA-N 0 3 212.293 0.361 20 0 BCADHN Cc1cncn1CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000528191571 387866715 /nfs/dbraw/zinc/86/67/15/387866715.db2.gz AQFKMGXUQRNDGX-NSHDSACASA-N 0 3 248.330 0.544 20 0 BCADHN CSCC[C@@H](C)N(C)C(=O)[C@H](C)N ZINC000157732323 387869545 /nfs/dbraw/zinc/86/95/45/387869545.db2.gz MNOVYNOWFAIVGV-SFYZADRCSA-N 0 3 204.339 0.934 20 0 BCADHN CC(C)OC[C@H](CO)N(C)CCn1cccn1 ZINC000433153155 387870437 /nfs/dbraw/zinc/87/04/37/387870437.db2.gz VBKUBXQXJZIVQK-LBPRGKRZSA-N 0 3 241.335 0.601 20 0 BCADHN CC[C@@H](C(N)=O)N1CCSC[C@@H](C)C1 ZINC000249070666 387871935 /nfs/dbraw/zinc/87/19/35/387871935.db2.gz QJEDOUIZLPFKHP-IUCAKERBSA-N 0 3 216.350 0.935 20 0 BCADHN CCO[C@@]1(C)C[C@H]1N[C@@H]1CCCS(=O)(=O)C1 ZINC000527974445 387814452 /nfs/dbraw/zinc/81/44/52/387814452.db2.gz NPWRPEKRRBOBKW-MXWKQRLJSA-N 0 3 247.360 0.721 20 0 BCADHN O=C(NCc1ccc(=O)[nH]c1)[C@@]1(F)CCNC1 ZINC000169177556 387814790 /nfs/dbraw/zinc/81/47/90/387814790.db2.gz DLKPJTOMPCPXLJ-LLVKDONJSA-N 0 3 239.250 0.105 20 0 BCADHN CN(C)CC(=O)N1CCC[C@H]1CN(C)C ZINC000442654356 387814862 /nfs/dbraw/zinc/81/48/62/387814862.db2.gz QUBULAHKXSAMIW-JTQLQIEISA-N 0 3 213.325 0.101 20 0 BCADHN CC(C)[C@H](O)CN1CCN(CCO)[C@@H](C)C1 ZINC000432791586 387819021 /nfs/dbraw/zinc/81/90/21/387819021.db2.gz GWEISQGNENNMKW-NWDGAFQWSA-N 0 3 230.352 0.002 20 0 BCADHN O=C(CN[C@H]1CCO[C@H]1C1CC1)N1CCCC1 ZINC000236391535 387890051 /nfs/dbraw/zinc/89/00/51/387890051.db2.gz AUXBLROZNCODHD-AAEUAGOBSA-N 0 3 238.331 0.766 20 0 BCADHN CONC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000528283800 387891663 /nfs/dbraw/zinc/89/16/63/387891663.db2.gz FGPQXRCESRRZEP-JTQLQIEISA-N 0 3 227.308 0.864 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCc1ncoc1C ZINC000158069871 387891686 /nfs/dbraw/zinc/89/16/86/387891686.db2.gz PJOQZUUDTVRWEH-OIBJUYFYSA-N 0 3 225.292 0.973 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000154547874 387899068 /nfs/dbraw/zinc/89/90/68/387899068.db2.gz IQZHLMNFUOLGDS-WPRPVWTQSA-N 0 3 220.272 0.454 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)[C@@H]1C[C@@H]1N ZINC000424182692 387898379 /nfs/dbraw/zinc/89/83/79/387898379.db2.gz UNYLYZWNERLOSU-KDXUFGMBSA-N 0 3 228.292 0.038 20 0 BCADHN COCCNCCNC(=O)[C@@H]1CCCS1 ZINC000152196064 387881989 /nfs/dbraw/zinc/88/19/89/387881989.db2.gz VWOZDYGRIPQIFE-VIFPVBQESA-N 0 3 232.349 0.234 20 0 BCADHN COC(=O)CNC(=O)CN1CCC[C@H](C)CC1 ZINC000194594720 387885864 /nfs/dbraw/zinc/88/58/64/387885864.db2.gz QNTZQCNIHHMZBH-JTQLQIEISA-N 0 3 242.319 0.398 20 0 BCADHN CCC[C@@H]1CN(C(=O)[C@H](C)N)CCO1 ZINC000158057285 387888025 /nfs/dbraw/zinc/88/80/25/387888025.db2.gz ANONQPAIBMWHRX-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN CCCC(C)(C)NC(=O)CNCCOC ZINC000158050899 387888626 /nfs/dbraw/zinc/88/86/26/387888626.db2.gz PONOUTVBFJTRHW-UHFFFAOYSA-N 0 3 216.325 0.917 20 0 BCADHN C[C@H](O)CN1CCC[C@H](n2cncn2)C1 ZINC000194952148 387900164 /nfs/dbraw/zinc/90/01/64/387900164.db2.gz MGQUGMCLYZPUSR-UWVGGRQHSA-N 0 3 210.281 0.296 20 0 BCADHN CCOCC[C@H](O)CN1CCSC[C@H]1CO ZINC000444678664 387906254 /nfs/dbraw/zinc/90/62/54/387906254.db2.gz XQEUQKUNCHRETK-MNOVXSKESA-N 0 3 249.376 0.184 20 0 BCADHN OC[C@H]1CCCN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000528346862 387906675 /nfs/dbraw/zinc/90/66/75/387906675.db2.gz VOKVTCSLUHZFKU-RYUDHWBXSA-N 0 3 243.347 0.357 20 0 BCADHN COCCCN1CCN(CC(C)(C)O)C[C@H]1C ZINC000444675554 387906652 /nfs/dbraw/zinc/90/66/52/387906652.db2.gz RSAUNSHXMSSATB-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN OC[C@H]1CCCCN1C[C@@H](O)CC1(O)CCC1 ZINC000528349616 387906793 /nfs/dbraw/zinc/90/67/93/387906793.db2.gz IMVXNPGHALVFQU-NEPJUHHUSA-N 0 3 243.347 0.499 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@@H](C)C(=O)OCC ZINC000236802802 387907155 /nfs/dbraw/zinc/90/71/55/387907155.db2.gz WLLAEZCEWHKQMP-ZJUUUORDSA-N 0 3 244.335 0.819 20 0 BCADHN CCN1C[C@H](C)[C@H](N[C@@H](C)c2ncn(C)n2)C1 ZINC000437032679 387910789 /nfs/dbraw/zinc/91/07/89/387910789.db2.gz PTNGXTVWYPVARU-GARJFASQSA-N 0 3 237.351 0.806 20 0 BCADHN CC(C)CSCCCN1C[C@@H](O)[C@@H](O)C1 ZINC000444694150 387911608 /nfs/dbraw/zinc/91/16/08/387911608.db2.gz JJBVCFDLFGUKSA-PHIMTYICSA-N 0 3 233.377 0.803 20 0 BCADHN CSCC[C@@H](N)C(=O)N(C)CC(F)F ZINC000155728734 387911990 /nfs/dbraw/zinc/91/19/90/387911990.db2.gz WCLBFMCPTSSKAO-ZCFIWIBFSA-N 0 3 226.292 0.790 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCCCCC(=O)OC ZINC000236921972 387912588 /nfs/dbraw/zinc/91/25/88/387912588.db2.gz STEQBSWTCQSWLY-KOLCDFICSA-N 0 3 244.335 0.819 20 0 BCADHN CN1CC[C@@H](CNCc2cc[nH]n2)CC1=O ZINC000424190004 387912811 /nfs/dbraw/zinc/91/28/11/387912811.db2.gz NPJYZCFVWIAFQZ-SECBINFHSA-N 0 3 222.292 0.368 20 0 BCADHN CCc1cccc(S(=O)(=O)NC2CNC2)c1 ZINC000236998046 387913687 /nfs/dbraw/zinc/91/36/87/387913687.db2.gz JRUCLVLYMSLBBO-UHFFFAOYSA-N 0 3 240.328 0.499 20 0 BCADHN CCN(C[C@@H]1CCOC1)C(=O)[C@H]1NCC1(C)C ZINC000645790830 387914849 /nfs/dbraw/zinc/91/48/49/387914849.db2.gz VIVHAAJAALDKBF-WDEREUQCSA-N 0 3 240.347 0.869 20 0 BCADHN COC[C@H](O)CCN[C@H](C)c1cn(C)nc1C ZINC000179537039 387930829 /nfs/dbraw/zinc/93/08/29/387930829.db2.gz IXUXWSVUDQLYLC-MWLCHTKSSA-N 0 3 241.335 0.777 20 0 BCADHN COC[C@@H](O)CCN[C@@H](C)c1cn(C)nc1C ZINC000179537026 387930924 /nfs/dbraw/zinc/93/09/24/387930924.db2.gz IXUXWSVUDQLYLC-ONGXEEELSA-N 0 3 241.335 0.777 20 0 BCADHN CC(C)OC[C@@H](C)N[C@@H]1CCC(=O)N(C)C1=O ZINC000424212792 387931121 /nfs/dbraw/zinc/93/11/21/387931121.db2.gz SLFAKUIIPBYQLG-NXEZZACHSA-N 0 3 242.319 0.537 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N[C@H]1CC12CC2 ZINC000424216655 387933659 /nfs/dbraw/zinc/93/36/59/387933659.db2.gz BJPNVLMYYYVEEZ-WDSKDSINSA-N 0 3 204.220 0.638 20 0 BCADHN CC(C)(N)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000424213785 387933670 /nfs/dbraw/zinc/93/36/70/387933670.db2.gz AURLKSNJXKGBEC-VIFPVBQESA-N 0 3 237.307 0.179 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)C1CC(C)(O)C1 ZINC000448601273 387935853 /nfs/dbraw/zinc/93/58/53/387935853.db2.gz RJRMSIBLJRIIFE-AKJDGMEZSA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@H](C(=O)N(C)CC(C)(C)CO)N(C)C ZINC000452900019 387935873 /nfs/dbraw/zinc/93/58/73/387935873.db2.gz GSBRNXOBVIEVRX-SNVBAGLBSA-N 0 3 230.352 0.804 20 0 BCADHN CC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2N)CCO1 ZINC000424196955 387921690 /nfs/dbraw/zinc/92/16/90/387921690.db2.gz GPLSLPFASBKQFP-QEYWKRMJSA-N 0 3 212.293 0.407 20 0 BCADHN CNCC(=O)NCc1ccc(-n2cccn2)cc1 ZINC000237246585 387924596 /nfs/dbraw/zinc/92/45/96/387924596.db2.gz HIIWSQJTRRQXED-UHFFFAOYSA-N 0 3 244.298 0.708 20 0 BCADHN Cc1nn(C)c2ncc(CN[C@@H]3CC[C@H]3O)cc12 ZINC000424199391 387926420 /nfs/dbraw/zinc/92/64/20/387926420.db2.gz KVFZBPYTOLBFKB-VXGBXAGGSA-N 0 3 246.314 0.890 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CC(=O)N(CC)C1 ZINC000452994213 387955401 /nfs/dbraw/zinc/95/54/01/387955401.db2.gz PTMMPBTVGAWPBR-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CCNC(=O)CNC[C@](C)(CC)OC ZINC000322605281 387938040 /nfs/dbraw/zinc/93/80/40/387938040.db2.gz JHWDABPENALCGW-JTQLQIEISA-N 0 3 202.298 0.527 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H]1CC12CC2 ZINC000424222369 387938707 /nfs/dbraw/zinc/93/87/07/387938707.db2.gz MITRWZXPQYCZOW-JGVFFNPUSA-N 0 3 214.334 0.736 20 0 BCADHN CN(C(=O)CNC[C@H]1CCCO1)[C@@H]1CCOC1 ZINC000156207012 387939528 /nfs/dbraw/zinc/93/95/28/387939528.db2.gz AKVNOSMYOFRSSK-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](O)C(C)(C)C1 ZINC000438534775 387941446 /nfs/dbraw/zinc/94/14/46/387941446.db2.gz WJHPERUXBFTWBF-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726687 387942153 /nfs/dbraw/zinc/94/21/53/387942153.db2.gz DBBJGEUQUUHWJV-FOGDFJRCSA-N 0 3 239.363 0.713 20 0 BCADHN c1cn2c(n1)C[C@@H](NCc1cc[nH]n1)CC2 ZINC000309621244 387942518 /nfs/dbraw/zinc/94/25/18/387942518.db2.gz PCRZMVZEFKAJHZ-VIFPVBQESA-N 0 3 217.276 0.711 20 0 BCADHN CN(C)[C@@H](CNC(=O)CO)Cc1ccccc1 ZINC000448605000 387943538 /nfs/dbraw/zinc/94/35/38/387943538.db2.gz KEPVLLQNTOIDQB-GFCCVEGCSA-N 0 3 236.315 0.268 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NC1(CC)CC1 ZINC000423161469 387944413 /nfs/dbraw/zinc/94/44/13/387944413.db2.gz RXJKDPWWPHDQHX-NXEZZACHSA-N 0 3 226.320 0.812 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)NCCN(CC)CCO ZINC000438579850 387946317 /nfs/dbraw/zinc/94/63/17/387946317.db2.gz ASHVFWWLRFQAEX-GHMZBOCLSA-N 0 3 243.351 0.398 20 0 BCADHN COC(=O)CC1CC(NCC(=O)NC(C)C)C1 ZINC000424260452 387946912 /nfs/dbraw/zinc/94/69/12/387946912.db2.gz NZZUKWWKIGYJDM-UHFFFAOYSA-N 0 3 242.319 0.442 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@H]3CCCCO3)C[C@@H]21 ZINC000452968881 387948261 /nfs/dbraw/zinc/94/82/61/387948261.db2.gz CGLMDQSKESYHNU-GRYCIOLGSA-N 0 3 238.331 0.718 20 0 BCADHN COC(=O)CC1CC(NCC(=O)N(C)C)C1 ZINC000424275566 387948320 /nfs/dbraw/zinc/94/83/20/387948320.db2.gz CBGVVKLAYLMVID-UHFFFAOYSA-N 0 3 228.292 0.006 20 0 BCADHN C[C@@H](N)C(=O)NC1CCN(CC(F)F)CC1 ZINC000645805431 387948997 /nfs/dbraw/zinc/94/89/97/387948997.db2.gz JOYXWROLJMTESU-SSDOTTSWSA-N 0 3 235.278 0.179 20 0 BCADHN CC[C@](C)(CN[C@H](C)C(=O)N(C)C)OC ZINC000322633946 387949088 /nfs/dbraw/zinc/94/90/88/387949088.db2.gz RUVIYQZEZMFROI-MWLCHTKSSA-N 0 3 216.325 0.868 20 0 BCADHN COC(=O)CC1CC(NCc2cnn(C)c2)C1 ZINC000424273743 387949205 /nfs/dbraw/zinc/94/92/05/387949205.db2.gz XLEPFODFSQTZJA-UHFFFAOYSA-N 0 3 237.303 0.851 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@@H]3CCSC3)C[C@@H]21 ZINC000452972497 387949791 /nfs/dbraw/zinc/94/97/91/387949791.db2.gz ITECDPYSOCVCFN-MXWKQRLJSA-N 0 3 240.372 0.902 20 0 BCADHN CC(C)[C@H](O)CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452979565 387951603 /nfs/dbraw/zinc/95/16/03/387951603.db2.gz ULDAXENYLFLUJH-QJPTWQEYSA-N 0 3 240.347 0.556 20 0 BCADHN CC[C@@](C)(CNCC(=O)NC1CC1)OC ZINC000322669604 387958534 /nfs/dbraw/zinc/95/85/34/387958534.db2.gz FLMZAUBBTQQAAH-NSHDSACASA-N 0 3 214.309 0.670 20 0 BCADHN O[C@H](CN1CC[C@@H]1C1CC1)CN1CCOCC1 ZINC000453006596 387959156 /nfs/dbraw/zinc/95/91/56/387959156.db2.gz CHDINQOORAWVPH-QWHCGFSZSA-N 0 3 240.347 0.164 20 0 BCADHN CCC[C@@H](OC)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453012811 387960067 /nfs/dbraw/zinc/96/00/67/387960067.db2.gz SKQFNPARXWCAHH-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)c3ccc(=O)[nH]c3)C[C@@H]21 ZINC000453023686 387963064 /nfs/dbraw/zinc/96/30/64/387963064.db2.gz DKFBUMZFRFGFDD-MNOVXSKESA-N 0 3 247.298 0.563 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)[C@H]1CCCCNC1=O ZINC000245601810 387963285 /nfs/dbraw/zinc/96/32/85/387963285.db2.gz IZLCVZDAYLMFRC-SRVKXCTJSA-N 0 3 240.347 0.748 20 0 BCADHN O[C@@H]1C[C@H](O)CN(CCC[C@@H]2CCOC2)C1 ZINC000645811327 387964336 /nfs/dbraw/zinc/96/43/36/387964336.db2.gz KEQHYCIICQVMJZ-UTUOFQBUSA-N 0 3 229.320 0.231 20 0 BCADHN Cc1cccc(CCN2C[C@H](O)C[C@H](O)C2)n1 ZINC000645811272 387964733 /nfs/dbraw/zinc/96/47/33/387964733.db2.gz CIWIIPSTZMFOOV-BETUJISGSA-N 0 3 236.315 0.360 20 0 BCADHN CC[C@H](CN1CCN(C[C@H](C)O)C[C@@H]1C)OC ZINC000419264419 387966671 /nfs/dbraw/zinc/96/66/71/387966671.db2.gz DPZMIRHASCLTTG-RWMBFGLXSA-N 0 3 244.379 0.798 20 0 BCADHN CS[C@@H](C)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453037088 387967126 /nfs/dbraw/zinc/96/71/26/387967126.db2.gz OVZJFMAAYJDESO-LPEHRKFASA-N 0 3 228.361 0.900 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@H]3CCCOC3)C[C@@H]21 ZINC000453037634 387969935 /nfs/dbraw/zinc/96/99/35/387969935.db2.gz PFMWGSNSIVUMPJ-WOPDTQHZSA-N 0 3 238.331 0.576 20 0 BCADHN CC(C)n1cc(CNCCCOCCO)cn1 ZINC000227333813 387957313 /nfs/dbraw/zinc/95/73/13/387957313.db2.gz NRAROERNKLHFGD-UHFFFAOYSA-N 0 3 241.335 0.953 20 0 BCADHN CO[C@H](CN)c1nc(C2(N)CCCCC2)no1 ZINC000424338510 387980838 /nfs/dbraw/zinc/98/08/38/387980838.db2.gz AJRRTORQXZQDRW-MRVPVSSYSA-N 0 3 240.307 0.834 20 0 BCADHN CO[C@@H](CN)c1nc(C2(N)CCCCC2)no1 ZINC000424338511 387980850 /nfs/dbraw/zinc/98/08/50/387980850.db2.gz AJRRTORQXZQDRW-QMMMGPOBSA-N 0 3 240.307 0.834 20 0 BCADHN CCN(C)CCNC(=O)C[C@H](C)COC ZINC000445972575 387981859 /nfs/dbraw/zinc/98/18/59/387981859.db2.gz XHRBJXHNHXGORY-JTQLQIEISA-N 0 3 216.325 0.727 20 0 BCADHN CC(C)(C)OC(=O)N[C@@H]1CCN(CCCO)C1 ZINC000106868691 387974794 /nfs/dbraw/zinc/97/47/94/387974794.db2.gz BBTWDRZGCWPGHB-SNVBAGLBSA-N 0 3 244.335 0.968 20 0 BCADHN CC(C)NC(=O)NCCN(C)C[C@@H]1CCOC1 ZINC000645812310 387975920 /nfs/dbraw/zinc/97/59/20/387975920.db2.gz ZIVLZKYQBYAQJV-NSHDSACASA-N 0 3 243.351 0.662 20 0 BCADHN COC[C@H]1CCCN1CCNC(=O)NC(C)C ZINC000645812125 387977861 /nfs/dbraw/zinc/97/78/61/387977861.db2.gz OHTOSKFCFZQVRC-LLVKDONJSA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC[C@H](O)CC ZINC000159135409 387987250 /nfs/dbraw/zinc/98/72/50/387987250.db2.gz TYWHNFWSIQYAMF-BBBLOLIVSA-N 0 3 216.325 0.637 20 0 BCADHN CC(=O)NCCCN1CC[C@H](O)C(C)(C)C1 ZINC000446063044 387990476 /nfs/dbraw/zinc/99/04/76/387990476.db2.gz UCUIIVGSMCGGMG-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CN(CCCS(C)(=O)=O)[C@H]1CC[C@H](O)CC1 ZINC000439287915 387992021 /nfs/dbraw/zinc/99/20/21/387992021.db2.gz YGWKKWTUIHQLLT-XYPYZODXSA-N 0 3 249.376 0.656 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)[C@H](N)C1CCC1 ZINC000423207596 387993840 /nfs/dbraw/zinc/99/38/40/387993840.db2.gz SATZVBLOWRBOCA-GHMZBOCLSA-N 0 3 228.336 0.637 20 0 BCADHN CCC[C@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000045763885 387993834 /nfs/dbraw/zinc/99/38/34/387993834.db2.gz AKINQJXEJCTKKH-YUMQZZPRSA-N 0 3 221.322 0.724 20 0 BCADHN O=S1(=O)CCCN1CCCN1CCCCC1 ZINC000439192310 387982938 /nfs/dbraw/zinc/98/29/38/387982938.db2.gz WHAYVLSQXUKOGD-UHFFFAOYSA-N 0 3 246.376 0.898 20 0 BCADHN C[C@H]1CCN(CC(=O)NC(N)=O)C[C@H]1C ZINC000245840161 387985634 /nfs/dbraw/zinc/98/56/34/387985634.db2.gz BEBHKPUBZYXRFI-JGVFFNPUSA-N 0 3 213.281 0.159 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000245867534 387986919 /nfs/dbraw/zinc/98/69/19/387986919.db2.gz GJOHLEKSPNFYNN-HRDYMLBCSA-N 0 3 227.308 0.548 20 0 BCADHN C[C@H](CN1CCOCC1)N1CCCO[C@@H](C)C1 ZINC000245937889 387997734 /nfs/dbraw/zinc/99/77/34/387997734.db2.gz AGPAHUJIWBFCCG-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN OC[C@@H]1CCN(CCC[C@H]2CCOC2)C[C@@H]1O ZINC000645887270 387999460 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/nfs/dbraw/zinc/00/85/77/388008577.db2.gz BBBHRIAXJKGPNN-VHSXEESVSA-N 0 3 243.351 0.215 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCN1CC(=O)N(C)C ZINC000159356967 388010311 /nfs/dbraw/zinc/01/03/11/388010311.db2.gz NKWUYPMCKBVFEX-ZJUUUORDSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@H]1C[C@H](NC(=O)NCCN(C)C)CO1 ZINC000645892530 388024216 /nfs/dbraw/zinc/02/42/16/388024216.db2.gz XTNBJOHNKSGPIT-IUCAKERBSA-N 0 3 215.297 0.025 20 0 BCADHN Cn1nccc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000108331097 388024904 /nfs/dbraw/zinc/02/49/04/388024904.db2.gz VJBPCHPUXPFMHY-SNVBAGLBSA-N 0 3 236.319 0.492 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCS[C@H](C)C1 ZINC000252980179 135118409 /nfs/dbraw/zinc/11/84/09/135118409.db2.gz LFIBVYGRDMCGQN-PSASIEDQSA-N 0 3 233.333 0.348 20 0 BCADHN CCS(=O)(=O)C(C)C(=O)NCCC(C)C ZINC000078307022 135118512 /nfs/dbraw/zinc/11/85/12/135118512.db2.gz WWRHDVGQTAHHLJ-VIFPVBQESA-N 0 3 235.349 0.972 20 0 BCADHN COC[C@@H](NCC(=O)NCC(C)C)C1CC1 ZINC000159429159 388014137 /nfs/dbraw/zinc/01/41/37/388014137.db2.gz DQQWMNWZAQAVLI-LLVKDONJSA-N 0 3 228.336 0.773 20 0 BCADHN CC(C)C(C)(C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000439722623 388015693 /nfs/dbraw/zinc/01/56/93/388015693.db2.gz VNLXTKONMXYPLH-CYBMUJFWSA-N 0 3 242.363 0.851 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@H]2C[C@H](F)CN2)no1 ZINC000446367155 388016970 /nfs/dbraw/zinc/01/69/70/388016970.db2.gz RKPSQBNAHTUOAZ-JGVFFNPUSA-N 0 3 242.254 0.036 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)c1nnc(C)o1)N(C)C ZINC000533225015 388017892 /nfs/dbraw/zinc/01/78/92/388017892.db2.gz HVEGQUVDAVMVEP-VXNVDRBHSA-N 0 3 240.307 0.895 20 0 BCADHN Cc1nnc(NC(=O)C(C)(C)N)s1 ZINC000082257177 388018523 /nfs/dbraw/zinc/01/85/23/388018523.db2.gz WXAIGUWAQHZTRI-UHFFFAOYSA-N 0 3 200.267 0.522 20 0 BCADHN CO[C@@H]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000446417822 388019491 /nfs/dbraw/zinc/01/94/91/388019491.db2.gz LDNYUXRMWYYPIJ-UKKRHICBSA-N 0 3 244.310 0.618 20 0 BCADHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)NC1CC1 ZINC000300422725 388021103 /nfs/dbraw/zinc/02/11/03/388021103.db2.gz JWGCUZFZPSYKGW-UWJYBYFXSA-N 0 3 238.331 0.811 20 0 BCADHN CCCN(CC1CC1)C(=O)CNCCOC ZINC000082285080 388023204 /nfs/dbraw/zinc/02/32/04/388023204.db2.gz OAHLDUJOQVRFOH-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)CCN1CCCC1 ZINC000450399481 388032363 /nfs/dbraw/zinc/03/23/63/388032363.db2.gz ACKWECLRTILZRN-GFCCVEGCSA-N 0 3 228.336 0.354 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1C2CCC1CC2 ZINC000533237274 388033776 /nfs/dbraw/zinc/03/37/76/388033776.db2.gz KELNBCCSCGMUAP-KKMMWDRVSA-N 0 3 211.265 0.197 20 0 BCADHN O=C1CC[C@H](NCc2cccc(O)c2)CN1 ZINC000082433034 388036239 /nfs/dbraw/zinc/03/62/39/388036239.db2.gz OXSATRWKICIIKO-JTQLQIEISA-N 0 3 220.272 0.760 20 0 BCADHN CCCN(C)CC(=O)NCC(O)(CC)CC ZINC000440211458 388036304 /nfs/dbraw/zinc/03/63/04/388036304.db2.gz CLHYYUSKIIEDLC-UHFFFAOYSA-N 0 3 230.352 0.996 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@](C)(O)C1CC1 ZINC000440227654 388036866 /nfs/dbraw/zinc/03/68/66/388036866.db2.gz QEELJGJGTZZCLQ-LBPRGKRZSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1n[nH]c(C(C)C)c1C(=O)N1CCNCC1 ZINC000082653634 388038070 /nfs/dbraw/zinc/03/80/70/388038070.db2.gz XIMNNTVLPFACPM-UHFFFAOYSA-N 0 3 236.319 0.887 20 0 BCADHN CNCCNS(=O)(=O)Cc1ccccc1C ZINC000440334616 388038784 /nfs/dbraw/zinc/03/87/84/388038784.db2.gz DUTZOJCBZBDSPM-UHFFFAOYSA-N 0 3 242.344 0.634 20 0 BCADHN CN(C)CCN(C)C(=O)Nc1nncs1 ZINC000083058682 388043803 /nfs/dbraw/zinc/04/38/03/388043803.db2.gz DJKOAQJZPGFSHF-UHFFFAOYSA-N 0 3 229.309 0.563 20 0 BCADHN COCC(C)(C)CN1CC[C@@H](NC(C)=O)C1 ZINC000421391463 388028941 /nfs/dbraw/zinc/02/89/41/388028941.db2.gz OWOYWPTXDDSGNA-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN CN(C)C1(CNC(=O)NCC(C)(C)O)CCC1 ZINC000446620034 388029371 /nfs/dbraw/zinc/02/93/71/388029371.db2.gz LWSUPFNUGIACPB-UHFFFAOYSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H](CO)NC(=O)NCC1(N(C)C)CCC1 ZINC000446617822 388029763 /nfs/dbraw/zinc/02/97/63/388029763.db2.gz PPCIRRUUMMHRRX-SECBINFHSA-N 0 3 229.324 0.151 20 0 BCADHN CN(C)C1(CNC(=O)NCCCO)CCC1 ZINC000446618619 388029936 /nfs/dbraw/zinc/02/99/36/388029936.db2.gz XFFMBDCEXHIKGO-UHFFFAOYSA-N 0 3 229.324 0.152 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H](C)[C@H]1CCCO1 ZINC000453349010 388054884 /nfs/dbraw/zinc/05/48/84/388054884.db2.gz IYYQLMCADJMCAC-IRCOFANPSA-N 0 3 229.320 0.947 20 0 BCADHN COC[C@H](O)CN[C@H](C)c1cn(C)nc1C ZINC000083569790 388055304 /nfs/dbraw/zinc/05/53/04/388055304.db2.gz JKAFKZWTNAWWOG-PSASIEDQSA-N 0 3 227.308 0.386 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@H](COC)C1CC1 ZINC000453356671 388058193 /nfs/dbraw/zinc/05/81/93/388058193.db2.gz NDVOEFGQTMEIQC-IJLUTSLNSA-N 0 3 229.320 0.805 20 0 BCADHN Cc1ccc2c(c1)nc(CNC(=O)[C@H](C)N)n2C ZINC000083887837 388064613 /nfs/dbraw/zinc/06/46/13/388064613.db2.gz SCNRUKQNYBTWBE-VIFPVBQESA-N 0 3 246.314 0.845 20 0 BCADHN CC(C)(N)C(=O)NCc1nc2ccccc2[nH]1 ZINC000083889205 388065391 /nfs/dbraw/zinc/06/53/91/388065391.db2.gz WBVGOZPBNVPURL-UHFFFAOYSA-N 0 3 232.287 0.916 20 0 BCADHN CC[C@H](F)CN1CCO[C@H](CN(C)C)C1 ZINC000440696573 388065830 /nfs/dbraw/zinc/06/58/30/388065830.db2.gz JGMCIYIPSQTWKG-WDEREUQCSA-N 0 3 218.316 0.997 20 0 BCADHN CC[C@H](N[C@H](C)[C@@H]1CCCO1)C(=O)NC ZINC000453388352 388067078 /nfs/dbraw/zinc/06/70/78/388067078.db2.gz CFASGNXYSLCFAJ-UTLUCORTSA-N 0 3 214.309 0.668 20 0 BCADHN CC[C@H](N[C@@H](COC)C(C)C)C(=O)NC ZINC000453397995 388070839 /nfs/dbraw/zinc/07/08/39/388070839.db2.gz ITLUHEMMFZHARK-UWVGGRQHSA-N 0 3 216.325 0.772 20 0 BCADHN CSC[C@@H](O)CN(C)C1(CO)CC1 ZINC000336657977 388072902 /nfs/dbraw/zinc/07/29/02/388072902.db2.gz RNHPJYUCPMGSMG-QMMMGPOBSA-N 0 3 205.323 0.167 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@@](C)(O)C1CC1 ZINC000336658365 388074675 /nfs/dbraw/zinc/07/46/75/388074675.db2.gz ITDFUKGGUZSNDV-GXSJLCMTSA-N 0 3 249.376 0.560 20 0 BCADHN COC[C@H](C)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000453424361 388080414 /nfs/dbraw/zinc/08/04/14/388080414.db2.gz GJROUFKEJAIYQI-GARJFASQSA-N 0 3 226.320 0.764 20 0 BCADHN CCCN(C)CC(=O)NCCC[C@H](C)O ZINC000447610035 388082698 /nfs/dbraw/zinc/08/26/98/388082698.db2.gz OWSILGUXICYWMA-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN CC[C@H](C(=O)NCCC[C@@H](C)O)N(C)C ZINC000447619640 388083321 /nfs/dbraw/zinc/08/33/21/388083321.db2.gz HPEUSGZTKKCJBA-NXEZZACHSA-N 0 3 216.325 0.604 20 0 BCADHN C[C@H]1COCC[C@@H]1C(=O)NC[C@@H]1CCCN1C ZINC000192567722 388086573 /nfs/dbraw/zinc/08/65/73/388086573.db2.gz DDIPYAHOKJHMPT-SRVKXCTJSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H]1C[C@H]1CN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000453590314 388087039 /nfs/dbraw/zinc/08/70/39/388087039.db2.gz XZSGJPGYEBAMEM-RCWTZXSCSA-N 0 3 224.304 0.232 20 0 BCADHN CO[C@@H]1CN([C@H]2COC[C@H]2O)CC[C@@H]1C ZINC000463200733 388088936 /nfs/dbraw/zinc/08/89/36/388088936.db2.gz HNBDFQSXWBYRAP-UKKRHICBSA-N 0 3 215.293 0.103 20 0 BCADHN C[C@@H](N)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000037041557 388089186 /nfs/dbraw/zinc/08/91/86/388089186.db2.gz VOQLOVILIAFREG-SCZZXKLOSA-N 0 3 238.291 0.348 20 0 BCADHN C[C@@H](N[C@H]1COC[C@H]1O)c1ccc2n[nH]cc2c1 ZINC000463209619 388089287 /nfs/dbraw/zinc/08/92/87/388089287.db2.gz COKXSKLCIDBDBO-OXHMUOHRSA-N 0 3 247.298 0.973 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1CCCC(=O)N1)N(C)C ZINC000447752485 388091199 /nfs/dbraw/zinc/09/11/99/388091199.db2.gz GUJJAXUJHQRKJC-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)COC[C@@H](O)CN1C[C@H](O)C(C)(C)C1 ZINC000447797545 388092270 /nfs/dbraw/zinc/09/22/70/388092270.db2.gz LBLOYXHVFHZXRA-RYUDHWBXSA-N 0 3 245.363 0.723 20 0 BCADHN NC(=O)c1cccc(CN[C@H]2CCC[C@@H]2O)c1 ZINC000323855840 388092529 /nfs/dbraw/zinc/09/25/29/388092529.db2.gz QGKPXJBOBZSZDA-RYUDHWBXSA-N 0 3 234.299 0.789 20 0 BCADHN C[C@H](CO)CN1CCO[C@]2(CCSC2)C1 ZINC000645965298 388094364 /nfs/dbraw/zinc/09/43/64/388094364.db2.gz ZMMGZCGQYDYZMK-WDEREUQCSA-N 0 3 231.361 0.823 20 0 BCADHN NCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000195119782 388098336 /nfs/dbraw/zinc/09/83/36/388098336.db2.gz IYNKHKKZJAERIW-ULKQDVFKSA-N 0 3 224.304 0.457 20 0 BCADHN Cc1noc(CCCN2CC[C@@H](O)[C@H]2C)n1 ZINC000645925562 388101615 /nfs/dbraw/zinc/10/16/15/388101615.db2.gz AHHBUDFBQCTAIL-PSASIEDQSA-N 0 3 225.292 0.766 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@H](CO)[C@@H]1CCCO1 ZINC000447917075 388103716 /nfs/dbraw/zinc/10/37/16/388103716.db2.gz WRFPTPFRURBTFC-AXFHLTTASA-N 0 3 244.335 0.031 20 0 BCADHN Cc1nn(C)cc1CN[C@@H](CO)[C@H]1CCCO1 ZINC000447969121 388106770 /nfs/dbraw/zinc/10/67/70/388106770.db2.gz UPWBEWFGHRELCX-NWDGAFQWSA-N 0 3 239.319 0.358 20 0 BCADHN CN(Cc1cc[nH]n1)C(=O)[C@@H]1NCC1(C)C ZINC000645973437 388110179 /nfs/dbraw/zinc/11/01/79/388110179.db2.gz KVHPUWLOUBTIGV-VIFPVBQESA-N 0 3 222.292 0.366 20 0 BCADHN Cc1ccn(CC(=O)NCCN(C)C2CC2)n1 ZINC000448793682 388111381 /nfs/dbraw/zinc/11/13/81/388111381.db2.gz HOGBANVILNGHGJ-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN C[C@H](CNC(=O)c1nccnc1N)N1CCCC1 ZINC000057308238 388113517 /nfs/dbraw/zinc/11/35/17/388113517.db2.gz CPYWBLQAPTYQHG-SECBINFHSA-N 0 3 249.318 0.273 20 0 BCADHN COC(=O)CC1(CN(C)C2CC(O)C2)CC1 ZINC000440503147 388047931 /nfs/dbraw/zinc/04/79/31/388047931.db2.gz IMNKYPOXAQPLJW-UHFFFAOYSA-N 0 3 227.304 0.785 20 0 BCADHN CCCOc1cccc(CNC[C@H](O)CO)c1 ZINC000083367150 388049479 /nfs/dbraw/zinc/04/94/79/388049479.db2.gz TYGSTKDAQDFHFB-LBPRGKRZSA-N 0 3 239.315 0.918 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@H]1COCCO1 ZINC000646145082 388156524 /nfs/dbraw/zinc/15/65/24/388156524.db2.gz RHCZCNCTHOKDQF-MXWKQRLJSA-N 0 3 215.293 0.247 20 0 BCADHN C[C@H](Cc1ccoc1)NCC(=O)N(C)C ZINC000449226919 388159538 /nfs/dbraw/zinc/15/95/38/388159538.db2.gz SLYDQZIAAPFFPI-SECBINFHSA-N 0 3 210.277 0.888 20 0 BCADHN C[C@@H](Cc1ccoc1)NCC(=O)N(C)C ZINC000449226920 388159675 /nfs/dbraw/zinc/15/96/75/388159675.db2.gz SLYDQZIAAPFFPI-VIFPVBQESA-N 0 3 210.277 0.888 20 0 BCADHN CSCCN(C)C(=O)NC[C@H](C)N(C)C ZINC000455431789 388159788 /nfs/dbraw/zinc/15/97/88/388159788.db2.gz MFSNYNPEBAGVRR-VIFPVBQESA-N 0 3 233.381 0.941 20 0 BCADHN Cc1cccc(CCN2C[C@@H](O)C[C@@H]2CO)c1 ZINC000449236162 388159824 /nfs/dbraw/zinc/15/98/24/388159824.db2.gz IWYZSLANTITKBG-KGLIPLIRSA-N 0 3 235.327 0.965 20 0 BCADHN C[C@@H]1COCC[C@H]1C(=O)NCCN1CCCC1 ZINC000195333754 388160365 /nfs/dbraw/zinc/16/03/65/388160365.db2.gz ZQIKVNZQEZDFOF-VXGBXAGGSA-N 0 3 240.347 0.871 20 0 BCADHN CO[C@H]1CCCN(C(=O)NC[C@H](C)N(C)C)C1 ZINC000455437615 388160602 /nfs/dbraw/zinc/16/06/02/388160602.db2.gz WTLVOAGCUJUICJ-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN CC[C@H](C)CC(=O)N[C@H](CO)CN(C)C ZINC000646208911 388164345 /nfs/dbraw/zinc/16/43/45/388164345.db2.gz NRCRKHABFASOJQ-UWVGGRQHSA-N 0 3 216.325 0.461 20 0 BCADHN C[C@@H](C[C@H]1CCCO1)NC(=O)C1(N)CCC1 ZINC000449269282 388164855 /nfs/dbraw/zinc/16/48/55/388164855.db2.gz ADUIENYFUSLEFB-VHSXEESVSA-N 0 3 226.320 0.942 20 0 BCADHN Cc1ccc(C(=O)N[C@H](CO)CN(C)C)cc1 ZINC000646211227 388165051 /nfs/dbraw/zinc/16/50/51/388165051.db2.gz XKYOCTYVOPVZKD-LBPRGKRZSA-N 0 3 236.315 0.647 20 0 BCADHN NC1(C(=O)NCCCO[C@@H]2CCOC2)CCC1 ZINC000646214606 388166233 /nfs/dbraw/zinc/16/62/33/388166233.db2.gz YAHNRUUHMREQCU-SNVBAGLBSA-N 0 3 242.319 0.180 20 0 BCADHN CC[C@@H](C(=O)N1CC(C)(CO)C1)N(CC)CC ZINC000456234654 388187994 /nfs/dbraw/zinc/18/79/94/388187994.db2.gz RYWWGHGEQPVJKT-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000646228534 388168456 /nfs/dbraw/zinc/16/84/56/388168456.db2.gz BYSXXISUCUVNTQ-GMTAPVOTSA-N 0 3 228.336 0.901 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000646228538 388168480 /nfs/dbraw/zinc/16/84/80/388168480.db2.gz BYSXXISUCUVNTQ-VWYCJHECSA-N 0 3 228.336 0.901 20 0 BCADHN Cc1nn(C)cc1[C@H]1CCCN1C(=O)[C@@H](C)N ZINC000646227260 388168674 /nfs/dbraw/zinc/16/86/74/388168674.db2.gz LUAUBMFPNIZDQA-LDYMZIIASA-N 0 3 236.319 0.739 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1ccc(F)cn1 ZINC000646245545 388170250 /nfs/dbraw/zinc/17/02/50/388170250.db2.gz UHUAXZGIQLVJDN-SNVBAGLBSA-N 0 3 237.278 0.835 20 0 BCADHN C[C@H](N[C@H]1CSC[C@@H]1C)C(=O)NCCF ZINC000449306475 388170924 /nfs/dbraw/zinc/17/09/24/388170924.db2.gz LPEZPEVGVIYOOW-CIUDSAMLSA-N 0 3 234.340 0.802 20 0 BCADHN CCc1cc(C(=O)N2CCc3[nH]cnc3C2)n[nH]1 ZINC000646260514 388171254 /nfs/dbraw/zinc/17/12/54/388171254.db2.gz OCODLIISSQOFET-UHFFFAOYSA-N 0 3 245.286 0.894 20 0 BCADHN CCc1cccnc1NC(=O)[C@@H](CN)OC ZINC000646265603 388173304 /nfs/dbraw/zinc/17/33/04/388173304.db2.gz AADIYZXUHMVTGU-SECBINFHSA-N 0 3 223.276 0.556 20 0 BCADHN CC[C@@H](N)C(=O)NCc1noc(C2CC2)n1 ZINC000646279347 388175191 /nfs/dbraw/zinc/17/51/91/388175191.db2.gz QBQGCOJXHPTQML-SSDOTTSWSA-N 0 3 224.264 0.301 20 0 BCADHN Cc1cccc(NCCNC(=O)C2(N)CCC2)n1 ZINC000449347344 388178087 /nfs/dbraw/zinc/17/80/87/388178087.db2.gz BVEMGODLAWEXME-UHFFFAOYSA-N 0 3 248.330 0.800 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@H](O)C3CCC3)C[C@@H]21 ZINC000456156107 388182408 /nfs/dbraw/zinc/18/24/08/388182408.db2.gz BVXBZFZUFYZHIX-GRYCIOLGSA-N 0 3 238.331 0.310 20 0 BCADHN CCC[C@@](C)(O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456172180 388183511 /nfs/dbraw/zinc/18/35/11/388183511.db2.gz RZCWQLDKFSLNPT-DMDPSCGWSA-N 0 3 240.347 0.700 20 0 BCADHN CO[C@H]1CN(CC2=CCCOC2)C[C@@H]1OC ZINC000488530198 388185182 /nfs/dbraw/zinc/18/51/82/388185182.db2.gz JZSDVQZGINDESJ-RYUDHWBXSA-N 0 3 227.304 0.679 20 0 BCADHN CSC[C@@H](O)CN1CC2(C1)CCOCC2 ZINC000488537956 388185308 /nfs/dbraw/zinc/18/53/08/388185308.db2.gz BUDFYAYEVRVNMX-JTQLQIEISA-N 0 3 231.361 0.823 20 0 BCADHN COCCN(C)CCNC(=O)CSC1CC1 ZINC000448872745 388116405 /nfs/dbraw/zinc/11/64/05/388116405.db2.gz IOTKZVBTYSFDFO-UHFFFAOYSA-N 0 3 246.376 0.576 20 0 BCADHN CC[C@H](N)C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC000645986968 388117244 /nfs/dbraw/zinc/11/72/44/388117244.db2.gz WJDBNJWCMTWYIE-JTQLQIEISA-N 0 3 249.314 0.629 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454424044 388117874 /nfs/dbraw/zinc/11/78/74/388117874.db2.gz DSJZJPXBIQZLAL-LMLFDSFASA-N 0 3 223.320 0.740 20 0 BCADHN COC[C@H](C)CNC(=O)NC[C@H](C)N(C)C ZINC000454457862 388118907 /nfs/dbraw/zinc/11/89/07/388118907.db2.gz VXVYCBDPUGDONQ-ZJUUUORDSA-N 0 3 231.340 0.518 20 0 BCADHN O=c1ccccn1CCN1CC[C@@H]2OCC[C@@H]2C1 ZINC000645989413 388119035 /nfs/dbraw/zinc/11/90/35/388119035.db2.gz NIYNMJLGEJRJPM-OLZOCXBDSA-N 0 3 248.326 0.959 20 0 BCADHN CO[C@H](C)CCNC(=O)NC[C@H](C)N(C)C ZINC000454469775 388119607 /nfs/dbraw/zinc/11/96/07/388119607.db2.gz LREMESUKQKNPFE-VHSXEESVSA-N 0 3 231.340 0.661 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1CCCOC1)N(C)C ZINC000454519696 388121932 /nfs/dbraw/zinc/12/19/32/388121932.db2.gz BHZAUHQIXDUPLR-VHSXEESVSA-N 0 3 229.324 0.415 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCCOC ZINC000162215927 388125981 /nfs/dbraw/zinc/12/59/81/388125981.db2.gz JLZAZGBNDMTDRF-QMMMGPOBSA-N 0 3 209.311 0.046 20 0 BCADHN Cc1ocnc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000171470879 388126141 /nfs/dbraw/zinc/12/61/41/388126141.db2.gz HPDZVNDWZJHQSI-SNVBAGLBSA-N 0 3 235.287 0.903 20 0 BCADHN C[C@@H](CNC(=O)NC[C@@H]1CCCCO1)N(C)C ZINC000454628808 388126368 /nfs/dbraw/zinc/12/63/68/388126368.db2.gz IRKBJVJSKMIVEJ-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN CO[C@@H](CNC(=O)NC[C@H](C)N(C)C)C(C)C ZINC000454650603 388127288 /nfs/dbraw/zinc/12/72/88/388127288.db2.gz MMLKRUNCGZFZFH-QWRGUYRKSA-N 0 3 245.367 0.907 20 0 BCADHN CN(Cc1cnccn1)C(=O)[C@H]1NCC1(C)C ZINC000646030474 388129230 /nfs/dbraw/zinc/12/92/30/388129230.db2.gz CKCKUJOINPFPCJ-SNVBAGLBSA-N 0 3 234.303 0.433 20 0 BCADHN CC[C@H](C(=O)NC(COC)COC)N(C)C ZINC000456225508 388186185 /nfs/dbraw/zinc/18/61/85/388186185.db2.gz HKYWXCMSAZEZBT-SNVBAGLBSA-N 0 3 232.324 0.104 20 0 BCADHN Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)no1 ZINC000171584763 388130231 /nfs/dbraw/zinc/13/02/31/388130231.db2.gz UHLDTJLFJVOLSL-SNVBAGLBSA-N 0 3 235.287 0.903 20 0 BCADHN CS[C@H](C)CNC(=O)NC[C@H](C)N(C)C ZINC000454713045 388130842 /nfs/dbraw/zinc/13/08/42/388130842.db2.gz LDPTUZAKIRKUAI-DTWKUNHWSA-N 0 3 233.381 0.987 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCO[C@@H]1CCCCO1 ZINC000646044337 388131087 /nfs/dbraw/zinc/13/10/87/388131087.db2.gz LDHXAUJXLZWNIG-IJLUTSLNSA-N 0 3 245.319 0.533 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCO[C@H]1CCCCO1 ZINC000646044338 388131178 /nfs/dbraw/zinc/13/11/78/388131178.db2.gz LDHXAUJXLZWNIG-UTUOFQBUSA-N 0 3 245.319 0.533 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)N[C@H]3CCOC3)C[C@@H]21 ZINC000454722217 388131249 /nfs/dbraw/zinc/13/12/49/388131249.db2.gz MOHNVUGZLIVGKQ-VWYCJHECSA-N 0 3 239.319 0.121 20 0 BCADHN CCN(C)CCN[C@@H](C)CS(=O)(=O)CC ZINC000162236973 388131778 /nfs/dbraw/zinc/13/17/78/388131778.db2.gz AODQERCQHLFPDT-JTQLQIEISA-N 0 3 236.381 0.351 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1CCO[C@H]1C)N(C)C ZINC000454750176 388132730 /nfs/dbraw/zinc/13/27/30/388132730.db2.gz NSNWXHWDHZFATB-LPEHRKFASA-N 0 3 229.324 0.413 20 0 BCADHN COC[C@@H](C)NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454752092 388133102 /nfs/dbraw/zinc/13/31/02/388133102.db2.gz UHYISYSUWFKQHF-OUAUKWLOSA-N 0 3 241.335 0.367 20 0 BCADHN COC1(C(=O)NCCN2CCCC2)CC1 ZINC000648718759 388134710 /nfs/dbraw/zinc/13/47/10/388134710.db2.gz BVQPFFJMYHSDRP-UHFFFAOYSA-N 0 3 212.293 0.377 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@H](C)N(C)C ZINC000162246990 388135407 /nfs/dbraw/zinc/13/54/07/388135407.db2.gz RHCDFGKLBUNFKN-ZJUUUORDSA-N 0 3 236.381 0.349 20 0 BCADHN Cc1cc(CN)cc(NC(=O)Cn2cncn2)c1 ZINC000322941786 388139036 /nfs/dbraw/zinc/13/90/36/388139036.db2.gz QWGWCTISRAEHBN-UHFFFAOYSA-N 0 3 245.286 0.684 20 0 BCADHN COCCOC[C@H](C)NC(=O)C1(N)CCC1 ZINC000646084806 388139456 /nfs/dbraw/zinc/13/94/56/388139456.db2.gz ZZQYDKFUXZDPMR-VIFPVBQESA-N 0 3 230.308 0.036 20 0 BCADHN COc1ccc(NC(=O)C(C)(C)N)nc1 ZINC000646094669 388141572 /nfs/dbraw/zinc/14/15/72/388141572.db2.gz LFLBRHWGAYDWLA-UHFFFAOYSA-N 0 3 209.249 0.766 20 0 BCADHN CO[C@H](C)[C@@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000454967718 388142394 /nfs/dbraw/zinc/14/23/94/388142394.db2.gz KGCJZHRODBGVPY-IVZWLZJFSA-N 0 3 231.340 0.659 20 0 BCADHN C[C@H](CF)NC(=O)NC[C@H](C)N(C)C ZINC000454965557 388142645 /nfs/dbraw/zinc/14/26/45/388142645.db2.gz WWVVMLJNEWSZKK-SFYZADRCSA-N 0 3 205.277 0.594 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000449117452 388144694 /nfs/dbraw/zinc/14/46/94/388144694.db2.gz UPHDAANRDIVGGQ-AEJSXWLSSA-N 0 3 225.336 0.336 20 0 BCADHN CCCN[C@H](C)C(=O)N[C@@H](C(N)=O)C(C)C ZINC000449122493 388145410 /nfs/dbraw/zinc/14/54/10/388145410.db2.gz LKHJCTFHVKNCFI-RKDXNWHRSA-N 0 3 229.324 0.001 20 0 BCADHN C[C@@H](F)CCNC(=O)NC[C@H](C)N(C)C ZINC000455060677 388147777 /nfs/dbraw/zinc/14/77/77/388147777.db2.gz YIYRIVPKSKTZFA-BDAKNGLRSA-N 0 3 219.304 0.984 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1CCOC1(C)C)N(C)C ZINC000455239535 388152911 /nfs/dbraw/zinc/15/29/11/388152911.db2.gz BNEMMDHQHZDVTQ-VHSXEESVSA-N 0 3 243.351 0.803 20 0 BCADHN CCN(CC)C(=O)CN[C@@H](C)[C@@H](C)CO ZINC000164901111 388248970 /nfs/dbraw/zinc/24/89/70/388248970.db2.gz HSOOUOYCBAXTFO-UWVGGRQHSA-N 0 3 216.325 0.461 20 0 BCADHN C[C@@H](CO)[C@@H](C)N[C@@H](C)C(=O)NC1CC1 ZINC000164884869 388249127 /nfs/dbraw/zinc/24/91/27/388249127.db2.gz FFALIYSMSZPCLZ-YIZRAAEISA-N 0 3 214.309 0.260 20 0 BCADHN CCN(CC)C(=O)CN[C@@H](C)[C@H](C)CO ZINC000164901339 388249327 /nfs/dbraw/zinc/24/93/27/388249327.db2.gz HSOOUOYCBAXTFO-ZJUUUORDSA-N 0 3 216.325 0.461 20 0 BCADHN C[C@@H](N[C@@H](C)C(=O)N(C)C)[C@H](C)CO ZINC000164911435 388249543 /nfs/dbraw/zinc/24/95/43/388249543.db2.gz QSQQLNVFEJVLKU-HLTSFMKQSA-N 0 3 202.298 0.070 20 0 BCADHN Cn1nccc1CNC[C@]1(O)CCSC1 ZINC000165133502 388251509 /nfs/dbraw/zinc/25/15/09/388251509.db2.gz QJFHDPSMNLGORQ-SNVBAGLBSA-N 0 3 227.333 0.378 20 0 BCADHN CCC[C@H](N)C(=O)NC(C)(C)CCC(=O)OC ZINC000490746180 388252744 /nfs/dbraw/zinc/25/27/44/388252744.db2.gz TUMYEBDDPCDAOE-VIFPVBQESA-N 0 3 244.335 0.962 20 0 BCADHN CCC[C@@H](N)C(=O)NC(C)(C)CCC(=O)OC ZINC000490746172 388253085 /nfs/dbraw/zinc/25/30/85/388253085.db2.gz TUMYEBDDPCDAOE-SECBINFHSA-N 0 3 244.335 0.962 20 0 BCADHN CCn1cncc1CN[C@H]1CCC[C@@H]1O ZINC000323201348 388254406 /nfs/dbraw/zinc/25/44/06/388254406.db2.gz ULNZWQFHFQUGMV-QWRGUYRKSA-N 0 3 209.293 0.906 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H](C(=O)OC)C1CC1 ZINC000490811450 388255716 /nfs/dbraw/zinc/25/57/16/388255716.db2.gz MYSJAWTWFBRANZ-BDAKNGLRSA-N 0 3 228.292 0.182 20 0 BCADHN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)CN ZINC000490843355 388256805 /nfs/dbraw/zinc/25/68/05/388256805.db2.gz AXYHKCPIOZUARI-DGCLKSJQSA-N 0 3 234.299 0.800 20 0 BCADHN CCC[C@H](C(=O)N[C@@H](CC)[C@H](C)O)N(C)C ZINC000456272284 388190899 /nfs/dbraw/zinc/19/08/99/388190899.db2.gz VOYZTELMCYQTSI-GARJFASQSA-N 0 3 230.352 0.992 20 0 BCADHN CC[C@H](O)CNC(=O)NCCN(CC)C1CC1 ZINC000488663180 388191111 /nfs/dbraw/zinc/19/11/11/388191111.db2.gz QEUSUWNFKJKKMY-NSHDSACASA-N 0 3 243.351 0.541 20 0 BCADHN CCC(C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000646307035 388192589 /nfs/dbraw/zinc/19/25/89/388192589.db2.gz BYUKEYWFLFQFHC-QWRGUYRKSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](O)CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000488804407 388195624 /nfs/dbraw/zinc/19/56/24/388195624.db2.gz QHMNCWFMUPFFQS-KOLCDFICSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@H]1[C@@H](CO)CCN1CCN1CCCC1=O ZINC000488790889 388195907 /nfs/dbraw/zinc/19/59/07/388195907.db2.gz XXOXJWOXEOUGDF-WDEREUQCSA-N 0 3 226.320 0.312 20 0 BCADHN COc1nccnc1CNC[C@@H](C)CCCO ZINC000449410365 388198524 /nfs/dbraw/zinc/19/85/24/388198524.db2.gz ZAQFSPQOEZAWEB-JTQLQIEISA-N 0 3 239.319 0.983 20 0 BCADHN CS[C@@H](CO)[C@@H](C)NCc1cnn(C)c1 ZINC000164282565 388201769 /nfs/dbraw/zinc/20/17/69/388201769.db2.gz IWPVOHILMYYQQV-SCZZXKLOSA-N 0 3 229.349 0.622 20 0 BCADHN CS[C@H](CO)[C@H](C)NCc1cnn(C)c1 ZINC000164282250 388202201 /nfs/dbraw/zinc/20/22/01/388202201.db2.gz IWPVOHILMYYQQV-WCBMZHEXSA-N 0 3 229.349 0.622 20 0 BCADHN CC1(C)COC[C@@H]1NCC(=O)NCC1CC1 ZINC000313147777 256541143 /nfs/dbraw/zinc/54/11/43/256541143.db2.gz SZRYBFKQFCABSY-JTQLQIEISA-N 0 3 226.320 0.527 20 0 BCADHN CNC(=O)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC000456502618 388205043 /nfs/dbraw/zinc/20/50/43/388205043.db2.gz JMENYHGOUMKOHT-MWLCHTKSSA-N 0 3 243.351 0.213 20 0 BCADHN CO[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1OC ZINC000489171369 388205455 /nfs/dbraw/zinc/20/54/55/388205455.db2.gz AZYFNPAPSRTYGI-QWRGUYRKSA-N 0 3 244.335 0.199 20 0 BCADHN CCN1C[C@@H](C)[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000449438825 388206199 /nfs/dbraw/zinc/20/61/99/388206199.db2.gz RESXTEPXQJAKNG-VWYCJHECSA-N 0 3 225.336 0.195 20 0 BCADHN C[C@H]1CSC[C@@H]1N[C@H]1CCCNC1=O ZINC000449438538 388206283 /nfs/dbraw/zinc/20/62/83/388206283.db2.gz QERTYCPAPFLFFU-CIUDSAMLSA-N 0 3 214.334 0.606 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1COCC1(C)C ZINC000456533511 388206791 /nfs/dbraw/zinc/20/67/91/388206791.db2.gz FUJZGJCMHCQYCW-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@@H](O)[C@H](CC)NC(=O)CN(CC)CC ZINC000456569434 388208622 /nfs/dbraw/zinc/20/86/22/388208622.db2.gz BFBBNAAXDZXDDG-WDEREUQCSA-N 0 3 230.352 0.994 20 0 BCADHN COC[C@H](CCO)NCc1ccncc1 ZINC000164302034 388210660 /nfs/dbraw/zinc/21/06/60/388210660.db2.gz YHRRUTMZGLKOAJ-NSHDSACASA-N 0 3 210.277 0.569 20 0 BCADHN COCCN(CCOCCO)[C@@H]1CCO[C@H]1C ZINC000489414430 388211527 /nfs/dbraw/zinc/21/15/27/388211527.db2.gz ZZPRJNQAEPTBML-NWDGAFQWSA-N 0 3 247.335 0.121 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000489409593 388211677 /nfs/dbraw/zinc/21/16/77/388211677.db2.gz SLYWTSKQCVFSLC-AXFHLTTASA-N 0 3 243.351 0.539 20 0 BCADHN COCCN(C[C@@H](O)COC)[C@H]1CCO[C@H]1C ZINC000489465711 388216354 /nfs/dbraw/zinc/21/63/54/388216354.db2.gz OFMNXKXRMQGATA-TUAOUCFPSA-N 0 3 247.335 0.120 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc(CN)o2)CCN1 ZINC000646320336 388221387 /nfs/dbraw/zinc/22/13/87/388221387.db2.gz ASUSZLLLVPIXNM-MRVPVSSYSA-N 0 3 223.276 0.172 20 0 BCADHN Cc1ncc(CN2C[C@H]3CCN(C)[C@H]3C2)cn1 ZINC000449516064 388221771 /nfs/dbraw/zinc/22/17/71/388221771.db2.gz DJXAZZVCLQSNBS-OLZOCXBDSA-N 0 3 232.331 0.921 20 0 BCADHN C[C@@H](CNC(=O)[C@H](O)C1CCC1)N(C)C ZINC000449521458 388223302 /nfs/dbraw/zinc/22/33/02/388223302.db2.gz RRCVBSOZRHUOBW-WCBMZHEXSA-N 0 3 214.309 0.214 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](O)C1CCC1 ZINC000456849254 388227275 /nfs/dbraw/zinc/22/72/75/388227275.db2.gz BNLTXLITXLLWPE-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000489980180 388229657 /nfs/dbraw/zinc/22/96/57/388229657.db2.gz IJAWVJDMNLGFLT-OUAUKWLOSA-N 0 3 243.351 0.539 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@@H](O)C1CCC1)N(C)C ZINC000456875678 388230213 /nfs/dbraw/zinc/23/02/13/388230213.db2.gz ZIZLOMSCZUMPGA-NEPJUHHUSA-N 0 3 242.363 0.850 20 0 BCADHN COCCN(CCn1cccn1)[C@@H]1CCOC1 ZINC000490035733 388231269 /nfs/dbraw/zinc/23/12/69/388231269.db2.gz PYKFKHGLVHPWHE-GFCCVEGCSA-N 0 3 239.319 0.620 20 0 BCADHN COCCN(CCC(=O)N(C)C)[C@@H]1CCOC1 ZINC000490036743 388231677 /nfs/dbraw/zinc/23/16/77/388231677.db2.gz DYXLNBJNXYSKCL-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN COCCN(C[C@@H](C)OC)[C@@H]1CCOC1 ZINC000490046404 388232480 /nfs/dbraw/zinc/23/24/80/388232480.db2.gz UMPDVIHBYXDZKY-GHMZBOCLSA-N 0 3 217.309 0.759 20 0 BCADHN COCCN(CC1(C)COC1)[C@@H]1CCOC1 ZINC000490089442 388234423 /nfs/dbraw/zinc/23/44/23/388234423.db2.gz MQZQNUJFEMRENH-LLVKDONJSA-N 0 3 229.320 0.760 20 0 BCADHN CCCN(C)CC(=O)N1CCNC[C@@](C)(F)C1 ZINC000449578128 388236648 /nfs/dbraw/zinc/23/66/48/388236648.db2.gz ZKOGKFQQHMTWBQ-GFCCVEGCSA-N 0 3 245.342 0.488 20 0 BCADHN COCCOCCN1CC[C@H](O)[C@H](C)C1 ZINC000164647682 388241910 /nfs/dbraw/zinc/24/19/10/388241910.db2.gz CUOOLHBECIJQRD-MNOVXSKESA-N 0 3 217.309 0.352 20 0 BCADHN Cc1cnc(CN2C[C@H]3CCN(C)[C@H]3C2)nc1 ZINC000451625121 388285482 /nfs/dbraw/zinc/28/54/82/388285482.db2.gz PHYRDBBSQWTJFK-NEPJUHHUSA-N 0 3 232.331 0.921 20 0 BCADHN CCOC(=O)[C@@H](C)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451635310 388286706 /nfs/dbraw/zinc/28/67/06/388286706.db2.gz SZPNDWNQURNRNG-OUAUKWLOSA-N 0 3 226.320 0.574 20 0 BCADHN CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000451665714 388288365 /nfs/dbraw/zinc/28/83/65/388288365.db2.gz FOEXAYIEWTWKJC-JTQLQIEISA-N 0 3 229.324 0.152 20 0 BCADHN COCCSCCCN1C[C@@H](O)[C@H](OC)C1 ZINC000451766443 388294517 /nfs/dbraw/zinc/29/45/17/388294517.db2.gz XIVCZHPXJUYOLT-GHMZBOCLSA-N 0 3 249.376 0.448 20 0 BCADHN COC(=O)CC1(CN2C[C@@H](O)[C@H](OC)C2)CC1 ZINC000451767379 388294680 /nfs/dbraw/zinc/29/46/80/388294680.db2.gz ZGINBDISNLCMTK-NXEZZACHSA-N 0 3 243.303 0.021 20 0 BCADHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N(C)C ZINC000451787144 388296117 /nfs/dbraw/zinc/29/61/17/388296117.db2.gz IJARRUPDXWXESF-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H]([C@@H](C)O)C1 ZINC000181017447 256586502 /nfs/dbraw/zinc/58/65/02/256586502.db2.gz CRBIKRWXLFPTBH-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN CN(CC1CC1)C(=O)CN[C@@H]1COCC1(C)C ZINC000451810184 388297997 /nfs/dbraw/zinc/29/79/97/388297997.db2.gz ONWRYFRHTRKJPC-LLVKDONJSA-N 0 3 240.347 0.869 20 0 BCADHN CCOC(=O)[C@](C)(O)CN[C@@H]1COCC1(C)C ZINC000451814849 388298467 /nfs/dbraw/zinc/29/84/67/388298467.db2.gz VJDNGOIOOCWUHH-BXKDBHETSA-N 0 3 245.319 0.315 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C\CN(C)C)[C@H](C)CO1 ZINC000491647516 388307971 /nfs/dbraw/zinc/30/79/71/388307971.db2.gz WWQUPURWJASPGI-ADRPCIBZSA-N 0 3 226.320 0.740 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@@]1(O)CCSC1 ZINC000492047229 388332744 /nfs/dbraw/zinc/33/27/44/388332744.db2.gz YOYFLMWLVJKUGP-BYCRGOAPSA-N 0 3 244.360 0.088 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCOc2ccncc21 ZINC000492051050 388332802 /nfs/dbraw/zinc/33/28/02/388332802.db2.gz QRCLWADWQWPECO-ONEGZZNKSA-N 0 3 247.298 0.925 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)CCn1cccn1 ZINC000491862681 388325206 /nfs/dbraw/zinc/32/52/06/388325206.db2.gz CQYNLEWCDWSDIK-XQRVVYSFSA-N 0 3 236.319 0.459 20 0 BCADHN CCN1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000491863395 388325223 /nfs/dbraw/zinc/32/52/23/388325223.db2.gz DWXQCVOJHFWWGS-WAYWQWQTSA-N 0 3 225.336 0.268 20 0 BCADHN COC(=O)[C@@H](NC(=O)/C=C\CN(C)C)C(C)C ZINC000491865239 388325320 /nfs/dbraw/zinc/32/53/20/388325320.db2.gz HOVGDPDXHAMCJA-ZADCQDASSA-N 0 3 242.319 0.418 20 0 BCADHN C[C@@H]1CN(C)CCN1C(=O)/C=C\CN(C)C ZINC000491869763 388325579 /nfs/dbraw/zinc/32/55/79/388325579.db2.gz NMXVTISRUGEUNA-ISALQUGTSA-N 0 3 225.336 0.267 20 0 BCADHN CCC(CC)(NC(=O)/C=C\CN(C)C)C(N)=O ZINC000491881329 388326276 /nfs/dbraw/zinc/32/62/76/388326276.db2.gz GSLJMXKPUSFKPA-FPLPWBNLSA-N 0 3 241.335 0.265 20 0 BCADHN COC[C@@H](C)CNC(=O)/C=C\CN(C)C ZINC000491893136 388326768 /nfs/dbraw/zinc/32/67/68/388326768.db2.gz NJYHFJONWJFCBN-OMMCCPJFSA-N 0 3 214.309 0.503 20 0 BCADHN CN(C)C/C=C\C(=O)NC(C)(C)C(=O)N(C)C ZINC000491902708 388326929 /nfs/dbraw/zinc/32/69/29/388326929.db2.gz DOCPSSJCOBLGRD-FPLPWBNLSA-N 0 3 241.335 0.087 20 0 BCADHN CCNC(=O)CN(CC)C(=O)/C=C\CN(C)C ZINC000491903455 388326937 /nfs/dbraw/zinc/32/69/37/388326937.db2.gz HFTPKEWWZBEFQB-FPLPWBNLSA-N 0 3 241.335 0.089 20 0 BCADHN COCCN(CCN(C)C)C(=O)/C=C/C1CC1 ZINC000491923079 388327954 /nfs/dbraw/zinc/32/79/54/388327954.db2.gz AJVOFPMNPBCCTB-VOTSOKGWSA-N 0 3 240.347 0.989 20 0 BCADHN COCC[C@](C)(O)CNC(=O)/C=C\CN(C)C ZINC000491926915 388328065 /nfs/dbraw/zinc/32/80/65/388328065.db2.gz RLRAXJFSFYMTCO-FJOGCWAESA-N 0 3 244.335 0.008 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)[C@H]1CC[C@H](O)CC1 ZINC000491964514 388329841 /nfs/dbraw/zinc/32/98/41/388329841.db2.gz OZGGCGVFPHZVLK-NWRVEDBNSA-N 0 3 240.347 0.866 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@H]1CCCC1=O ZINC000491984620 388330538 /nfs/dbraw/zinc/33/05/38/388330538.db2.gz QGSUXYLOGLIERB-LJJSCBMDSA-N 0 3 224.304 0.590 20 0 BCADHN CNC(=O)CN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451358066 388264989 /nfs/dbraw/zinc/26/49/89/388264989.db2.gz AZEAMZABKNEDKD-XZUYRWCXSA-N 0 3 220.316 0.876 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCCc1cscn1 ZINC000645952556 388267504 /nfs/dbraw/zinc/26/75/04/388267504.db2.gz YCVGBKQIGNIAJA-SECBINFHSA-N 0 3 239.344 0.800 20 0 BCADHN Cn1cc([C@@H](NC(=O)CN)C(C)(C)C)cn1 ZINC000491085508 388268771 /nfs/dbraw/zinc/26/87/71/388268771.db2.gz SECMYFHOBWMDED-SNVBAGLBSA-N 0 3 224.308 0.582 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000491081206 388268911 /nfs/dbraw/zinc/26/89/11/388268911.db2.gz UVEPZFIOMZPGPH-GHMZBOCLSA-N 0 3 228.336 0.855 20 0 BCADHN CC[C@]1(CO)CCCN1C(=O)/C=C\CN(C)C ZINC000492003479 388331160 /nfs/dbraw/zinc/33/11/60/388331160.db2.gz RIWFHZMQDKIUQO-SCXUMTSISA-N 0 3 240.347 0.868 20 0 BCADHN CC(C)(O)CCN1CC[C@@](O)(C(F)F)C1 ZINC000451437233 388272785 /nfs/dbraw/zinc/27/27/85/388272785.db2.gz SWDLYAYYZXCHPU-JTQLQIEISA-N 0 3 223.263 0.849 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000491175977 388273939 /nfs/dbraw/zinc/27/39/39/388273939.db2.gz ZXOKBBGNMJAPGR-DCAQKATOSA-N 0 3 228.336 0.901 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCC[C@@H](O)[C@@H]1C ZINC000451449483 388274624 /nfs/dbraw/zinc/27/46/24/388274624.db2.gz BVZRPDVOPLKSDN-HOSYDEDBSA-N 0 3 245.319 0.146 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCC[C@H](O)[C@@H]1C ZINC000451449484 388274842 /nfs/dbraw/zinc/27/48/42/388274842.db2.gz BVZRPDVOPLKSDN-JBLDHEPKSA-N 0 3 245.319 0.146 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC[C@H](O)[C@H]1C ZINC000451454614 388274939 /nfs/dbraw/zinc/27/49/39/388274939.db2.gz KCJAKQOXWAFSTD-UPJWGTAASA-N 0 3 242.363 0.552 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H]1CCO[C@H]1C(C)C ZINC000491175980 388275132 /nfs/dbraw/zinc/27/51/32/388275132.db2.gz ZXOKBBGNMJAPGR-VWYCJHECSA-N 0 3 228.336 0.901 20 0 BCADHN CC[C@]1(CO)CCCN1C(=O)/C=C/CN(C)C ZINC000492003481 388331295 /nfs/dbraw/zinc/33/12/95/388331295.db2.gz RIWFHZMQDKIUQO-VUDGCMKMSA-N 0 3 240.347 0.868 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@H]1CC(C)(C)OC1=O ZINC000492300327 388340920 /nfs/dbraw/zinc/34/09/20/388340920.db2.gz QOLQAQIWGQDIAO-CYNONHLPSA-N 0 3 240.303 0.315 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@@H](O)c1ccccn1 ZINC000492315380 388341038 /nfs/dbraw/zinc/34/10/38/388341038.db2.gz BCZYVGGQHNUPEP-SMYYYNMVSA-N 0 3 249.314 0.349 20 0 BCADHN CN(C)C/C=C\C(=O)Nc1cnccc1CO ZINC000492328306 388341620 /nfs/dbraw/zinc/34/16/20/388341620.db2.gz HWAYJTOXFYFNSY-ARJAWSKDSA-N 0 3 235.287 0.630 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCC(F)(F)C1 ZINC000492328342 388341743 /nfs/dbraw/zinc/34/17/43/388341743.db2.gz IEZOQSSDCHJPBC-ONEGZZNKSA-N 0 3 218.247 0.972 20 0 BCADHN C[C@@H](NC(=O)/C=C\CN(C)C)c1ccon1 ZINC000492391848 388343262 /nfs/dbraw/zinc/34/32/62/388343262.db2.gz BMWCTERZATZSCF-XRVBUDJMSA-N 0 3 223.276 0.970 20 0 BCADHN COC[C@@](C)(CCO)NC(=O)/C=C\CN(C)C ZINC000492391474 388343368 /nfs/dbraw/zinc/34/33/68/388343368.db2.gz AYUNRCITNGYTJY-FOQNGQEVSA-N 0 3 244.335 0.008 20 0 BCADHN COC(=O)CCNC(=O)CN(C)C(C)(C)C ZINC000572998657 388404101 /nfs/dbraw/zinc/40/41/01/388404101.db2.gz JMNXNXSEMIJJME-UHFFFAOYSA-N 0 3 230.308 0.396 20 0 BCADHN CC[C@@](C)(CCO)NC(=O)/C=C\CN(C)C ZINC000492398194 388343583 /nfs/dbraw/zinc/34/35/83/388343583.db2.gz LIWYFUMMCFUPME-DGMVEKRQSA-N 0 3 228.336 0.772 20 0 BCADHN CO[C@@H](C)CNCc1cnc(N(C)C)nc1 ZINC000276129072 388347535 /nfs/dbraw/zinc/34/75/35/388347535.db2.gz AHNIDDDIJQTOFY-VIFPVBQESA-N 0 3 224.308 0.667 20 0 BCADHN C[C@@H](N)C(=O)Nc1cc(-c2ccncc2)nn1C ZINC000516568757 388349097 /nfs/dbraw/zinc/34/90/97/388349097.db2.gz XVIQMPMHTUZBAQ-MRVPVSSYSA-N 0 3 245.286 0.768 20 0 BCADHN Cc1cc(NC(=O)[C@@H]2NCC2(C)C)ccn1 ZINC000646394880 388350110 /nfs/dbraw/zinc/35/01/10/388350110.db2.gz ZLOJDIYRKPAJDX-JTQLQIEISA-N 0 3 219.288 0.748 20 0 BCADHN Cn1nccc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000002767435 388350675 /nfs/dbraw/zinc/35/06/75/388350675.db2.gz UXRSLWAHPLYPRR-SNVBAGLBSA-N 0 3 234.303 0.340 20 0 BCADHN CC(C)Cc1ncc(CNC[C@@H](O)CO)s1 ZINC000276756182 388351168 /nfs/dbraw/zinc/35/11/68/388351168.db2.gz MLUOMJGRNSOXQA-SECBINFHSA-N 0 3 244.360 0.784 20 0 BCADHN Cn1nncc1CNC(C)(C)C(C)(C)O ZINC000226743660 388354549 /nfs/dbraw/zinc/35/45/49/388354549.db2.gz ZNVXUGCCARSRSR-UHFFFAOYSA-N 0 3 212.297 0.454 20 0 BCADHN C[NH2+][C@H](C)CNC(=O)c1ccc(OC)cc1[O-] ZINC000234435238 388355586 /nfs/dbraw/zinc/35/55/86/388355586.db2.gz LRNVBSTWSCXWHY-MRVPVSSYSA-N 0 3 238.287 0.739 20 0 BCADHN CN1C[C@@H](NC[C@@H](O)CC(F)(F)F)CC1=O ZINC000307948859 388357138 /nfs/dbraw/zinc/35/71/38/388357138.db2.gz MJKLBHMCTRPWJA-BQBZGAKWSA-N 0 3 240.225 0.120 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2CCNC2=O)CS1 ZINC000575524409 388358706 /nfs/dbraw/zinc/35/87/06/388358706.db2.gz JLQJQEXQVSOSAH-CSMHCCOUSA-N 0 3 200.307 0.359 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1ccnn1C ZINC000234684941 388358809 /nfs/dbraw/zinc/35/88/09/388358809.db2.gz QUAIRSQHEWLHPK-BDAKNGLRSA-N 0 3 213.281 0.078 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)[C@H](N)C(C)C)C1 ZINC000234747070 388359587 /nfs/dbraw/zinc/35/95/87/388359587.db2.gz XJRWNEHDBPOMFF-IVZWLZJFSA-N 0 3 214.309 0.653 20 0 BCADHN CCC(=O)N1CCOC[C@@H]1[C@H]1CCCN1C ZINC000646449493 388359642 /nfs/dbraw/zinc/35/96/42/388359642.db2.gz NURJUJZHDQPVFU-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H]1CNCCN1C(=O)c1ccc(CN)o1 ZINC000646657675 388405049 /nfs/dbraw/zinc/40/50/49/388405049.db2.gz MATUJABJBZTMMX-MRVPVSSYSA-N 0 3 223.276 0.172 20 0 BCADHN CCN(C(=O)CN1CC[C@H](C)C1)[C@H]1CCOC1 ZINC000572615802 388361173 /nfs/dbraw/zinc/36/11/73/388361173.db2.gz GOMAAQHDFVUVFN-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H]([NH3+])CCC(=O)NCc1ncccc1[O-] ZINC000646452065 388361244 /nfs/dbraw/zinc/36/12/44/388361244.db2.gz VROIGDOFFPSNSC-QMMMGPOBSA-N 0 3 223.276 0.531 20 0 BCADHN Cc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2)nc1 ZINC000261528963 388405036 /nfs/dbraw/zinc/40/50/36/388405036.db2.gz XZSGRUZMGABRHQ-IUCAKERBSA-N 0 3 221.260 0.051 20 0 BCADHN COC1(CN2CC(C)(C(N)=O)C2)CCCC1 ZINC000572644999 388361760 /nfs/dbraw/zinc/36/17/60/388361760.db2.gz SSZCWJJBZWGLKI-UHFFFAOYSA-N 0 3 226.320 0.753 20 0 BCADHN C[C@H](CNC(=O)OC(C)(C)C)NCCC(N)=O ZINC000235459175 388369532 /nfs/dbraw/zinc/36/95/32/388369532.db2.gz HKNAFECPJOONPA-MRVPVSSYSA-N 0 3 245.323 0.365 20 0 BCADHN CC(=O)NCCN(C)Cc1ccc(CO)cc1 ZINC000572718737 388369932 /nfs/dbraw/zinc/36/99/32/388369932.db2.gz VBXDQYQASMPBIM-UHFFFAOYSA-N 0 3 236.315 0.747 20 0 BCADHN CC(C)[C@H](O)C1(CNC(=O)CNC2CC2)CC1 ZINC000572718509 388369970 /nfs/dbraw/zinc/36/99/70/388369970.db2.gz GUSLPZWKHMHUBQ-LBPRGKRZSA-N 0 3 240.347 0.652 20 0 BCADHN CC/C=C/CNC[C@@H](C)S(C)(=O)=O ZINC000572714544 388370121 /nfs/dbraw/zinc/37/01/21/388370121.db2.gz OIOJVHGPCPLHJJ-VUHVRTRXSA-N 0 3 205.323 0.975 20 0 BCADHN CC[C@@H]1CN(C[C@](C)(O)C(=O)OC)CCS1 ZINC000163189280 388371275 /nfs/dbraw/zinc/37/12/75/388371275.db2.gz PHYQZHXYVNIBTC-KOLCDFICSA-N 0 3 247.360 0.738 20 0 BCADHN C[C@@H](CO)NCc1c[nH]c2nccnc12 ZINC000290979100 388371608 /nfs/dbraw/zinc/37/16/08/388371608.db2.gz YIXLIWSUXSVBMI-ZETCQYMHSA-N 0 3 206.249 0.428 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)CCCCCO)C1 ZINC000519421880 256648655 /nfs/dbraw/zinc/64/86/55/256648655.db2.gz DZGVEJDIBRZYDL-GFCCVEGCSA-N 0 3 242.363 0.949 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C[S@@](C)=O ZINC000164083306 388373806 /nfs/dbraw/zinc/37/38/06/388373806.db2.gz VSCKKYMOKXNMFS-BCVALVRMSA-N 0 3 234.365 0.243 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)Cn2cccn2)C1 ZINC000524719573 388375798 /nfs/dbraw/zinc/37/57/98/388375798.db2.gz AYTWHCXZPIPWST-LLVKDONJSA-N 0 3 236.319 0.341 20 0 BCADHN CC1(C)CN[C@H]1C(=O)Nc1nnc2n1CCCC2 ZINC000646530034 388376852 /nfs/dbraw/zinc/37/68/52/388376852.db2.gz LRBFTANGQCIAMC-VIFPVBQESA-N 0 3 249.318 0.551 20 0 BCADHN NC1(C(=O)Nc2nnc3n2CCCC3)CCC1 ZINC000646530001 388377427 /nfs/dbraw/zinc/37/74/27/388377427.db2.gz CVTCZZNVEGWHEI-UHFFFAOYSA-N 0 3 235.291 0.434 20 0 BCADHN Cn1ccnc1CNC[C@H]1CC[C@@H](O)C1 ZINC000236085934 388377415 /nfs/dbraw/zinc/37/74/15/388377415.db2.gz WCXWPNLSVWMRFK-VHSXEESVSA-N 0 3 209.293 0.671 20 0 BCADHN C[C@@H]1CN(C(=O)NCc2ncccn2)[C@H](C)CN1 ZINC000519651137 256654859 /nfs/dbraw/zinc/65/48/59/256654859.db2.gz PPJIZWUFSJJPJM-NXEZZACHSA-N 0 3 249.318 0.368 20 0 BCADHN NC(C(=O)NCC1CCC1)C(F)(F)F ZINC000261535660 135170325 /nfs/dbraw/zinc/17/03/25/135170325.db2.gz OXSFDTOYGFZTAF-ZCFIWIBFSA-N 0 3 210.199 0.792 20 0 BCADHN CC(C)N[C@@H]1CC(=O)N(CC(F)(F)F)C1=O ZINC000572852736 388381879 /nfs/dbraw/zinc/38/18/79/388381879.db2.gz LDGQZBVFAUNMKV-ZCFIWIBFSA-N 0 3 238.209 0.674 20 0 BCADHN CC[C@@H](C(=O)NC[C@](C)(O)CC)N(C)C ZINC000165563886 388405936 /nfs/dbraw/zinc/40/59/36/388405936.db2.gz FGOKLXFDCSKQSW-GXSJLCMTSA-N 0 3 216.325 0.604 20 0 BCADHN CCCCN(CCOC)C(=O)[C@@H](N)CC ZINC000236733191 388382703 /nfs/dbraw/zinc/38/27/03/388382703.db2.gz FTNVBNGWJQZKCS-JTQLQIEISA-N 0 3 216.325 0.999 20 0 BCADHN CCCCN(CCOC)C(=O)CNC ZINC000236732664 388382836 /nfs/dbraw/zinc/38/28/36/388382836.db2.gz QRATUWHBJBVCNQ-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN C[C@@H]([NH3+])CC(=O)[N-]c1nncn1-c1ccccc1 ZINC000646561628 388382991 /nfs/dbraw/zinc/38/29/91/388382991.db2.gz LFCZFIYYIVWYKW-SECBINFHSA-N 0 3 245.286 0.943 20 0 BCADHN C[C@H](N)C(=O)Nc1nc2cccnc2n1C ZINC000519771205 256659573 /nfs/dbraw/zinc/65/95/73/256659573.db2.gz YZKGXYWEYWMLDB-LURJTMIESA-N 0 3 219.248 0.254 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)CC(F)(F)CN)C1 ZINC000572894712 388385263 /nfs/dbraw/zinc/38/52/63/388385263.db2.gz CINQBPICSHITGV-VIFPVBQESA-N 0 3 249.305 0.523 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCCC[C@H]1CC(N)=O ZINC000236904393 388386266 /nfs/dbraw/zinc/38/62/66/388386266.db2.gz HFGNZWVDVAQKKH-VHSXEESVSA-N 0 3 241.335 0.370 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN[C@@H](C)C1 ZINC000236944171 388386491 /nfs/dbraw/zinc/38/64/91/388386491.db2.gz ZSVVSUPYOKMEHC-KXUCPTDWSA-N 0 3 213.325 0.180 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000236938152 388386578 /nfs/dbraw/zinc/38/65/78/388386578.db2.gz KGZWUNIZIKWBEX-BBBLOLIVSA-N 0 3 230.308 0.034 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)CC ZINC000236980081 388387172 /nfs/dbraw/zinc/38/71/72/388387172.db2.gz KNUYNTOHCWEVOG-YIZRAAEISA-N 0 3 229.324 0.143 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)[C@@H](N)CC)C1 ZINC000236968539 388387249 /nfs/dbraw/zinc/38/72/49/388387249.db2.gz QFTIPKDOSIJDPM-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)CC(=O)OC ZINC000236958789 388387496 /nfs/dbraw/zinc/38/74/96/388387496.db2.gz YDNAVXWMPAHMRS-WEDXCCLWSA-N 0 3 230.308 0.428 20 0 BCADHN CCOC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H](N)CC)C1 ZINC000236956182 388387796 /nfs/dbraw/zinc/38/77/96/388387796.db2.gz PMLXQQIJOOSUFI-UTLUCORTSA-N 0 3 242.319 0.572 20 0 BCADHN CCc1nc(CCNC(=O)CNC)sc1C ZINC000237052441 388388670 /nfs/dbraw/zinc/38/86/70/388388670.db2.gz AAXWBTUOVHAFOF-UHFFFAOYSA-N 0 3 241.360 0.892 20 0 BCADHN CN(C(=O)CNC[C@H]1CCCO1)C1CCC1 ZINC000237031264 388389218 /nfs/dbraw/zinc/38/92/18/388389218.db2.gz HGYSYFSEDZQQMB-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN Cc1cc(C)cc(N(C)C(=O)[C@H]2C[C@H](O)CN2)c1 ZINC000237080402 388389694 /nfs/dbraw/zinc/38/96/94/388389694.db2.gz FMIARSNPESCVEV-QWHCGFSZSA-N 0 3 248.326 0.989 20 0 BCADHN NCc1cccc(NC(=O)CNC(=O)C2CC2)c1 ZINC000646580744 388389825 /nfs/dbraw/zinc/38/98/25/388389825.db2.gz LKUSVEPIYLFHOV-UHFFFAOYSA-N 0 3 247.298 0.610 20 0 BCADHN CO[C@H](CNC(=O)C1(N)CC1)C(C)(C)C ZINC000237193071 388390910 /nfs/dbraw/zinc/39/09/10/388390910.db2.gz ZZWZLHWGOWGCPY-MRVPVSSYSA-N 0 3 214.309 0.655 20 0 BCADHN COC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000193024608 388391332 /nfs/dbraw/zinc/39/13/32/388391332.db2.gz RAMZSEIUNKGLIN-CRCLSJGQSA-N 0 3 225.166 0.617 20 0 BCADHN CC[C@H](CO)N(C)Cc1ccnc(N)c1 ZINC000293986414 388393812 /nfs/dbraw/zinc/39/38/12/388393812.db2.gz WBGFPYDUKPZKLF-SNVBAGLBSA-N 0 3 209.293 0.867 20 0 BCADHN C[C@H](CNC(=O)CN)N(C)c1ccccc1 ZINC000237402613 388393798 /nfs/dbraw/zinc/39/37/98/388393798.db2.gz HMWKVVGMLLPAIZ-SNVBAGLBSA-N 0 3 221.304 0.586 20 0 BCADHN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)CN ZINC000237377239 388394226 /nfs/dbraw/zinc/39/42/26/388394226.db2.gz IDEXAAWOBSLSOY-PRHODGIISA-N 0 3 204.273 0.995 20 0 BCADHN C[C@H]1COCCN1C(=O)CNC[C@@H]1CCCO1 ZINC000237634145 388398471 /nfs/dbraw/zinc/39/84/71/388398471.db2.gz SILZTCJYSCSNQW-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CC12CCOCC2 ZINC000520442766 256673319 /nfs/dbraw/zinc/67/33/19/256673319.db2.gz AEWBXMGZFGTJQI-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN CC1(C)[C@H](NC(=O)C2(N)CCC2)[C@H]2CCO[C@@H]21 ZINC000572957998 388399029 /nfs/dbraw/zinc/39/90/29/388399029.db2.gz ARXZQHBFBJWATK-BBBLOLIVSA-N 0 3 238.331 0.798 20 0 BCADHN Cn1cncc1CNC[C@H](O)COCC1CC1 ZINC000237933339 388399066 /nfs/dbraw/zinc/39/90/66/388399066.db2.gz MJANQNVCGXBPKY-LBPRGKRZSA-N 0 3 239.319 0.297 20 0 BCADHN CC[C@@H](N)C(=O)Nc1c(C)ccn(C)c1=O ZINC000572962115 388399177 /nfs/dbraw/zinc/39/91/77/388399177.db2.gz ONULXUIXAMTBQB-MRVPVSSYSA-N 0 3 223.276 0.370 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N1CCSCC1 ZINC000237888040 388399432 /nfs/dbraw/zinc/39/94/32/388399432.db2.gz MVVXBJQBOILAMW-JTQLQIEISA-N 0 3 244.360 0.330 20 0 BCADHN CCN(CC(C)(C)O)C(=O)/C=C\CN(C)C ZINC000492073312 388333538 /nfs/dbraw/zinc/33/35/38/388333538.db2.gz VKYOPEWXNBQZMY-FPLPWBNLSA-N 0 3 228.336 0.724 20 0 BCADHN Cc1cnc(CNC(=O)/C=C\CN(C)C)o1 ZINC000492105545 388335117 /nfs/dbraw/zinc/33/51/17/388335117.db2.gz XCDUABLFIMQSRH-PLNGDYQASA-N 0 3 223.276 0.717 20 0 BCADHN Cc1cc(NC(=O)/C=C/CN(C)C)c(=O)n(C)c1 ZINC000492114844 388335364 /nfs/dbraw/zinc/33/53/64/388335364.db2.gz BZDCUKOXZZSJQI-AATRIKPKSA-N 0 3 249.314 0.750 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)/C=C\CN(C)C ZINC000492111501 388335372 /nfs/dbraw/zinc/33/53/72/388335372.db2.gz RJIWXJKDUKRICC-WWQCOOJYSA-N 0 3 214.309 0.334 20 0 BCADHN Cc1c(NC(=O)/C=C/CN(C)C)cnn1C ZINC000492141030 388335867 /nfs/dbraw/zinc/33/58/67/388335867.db2.gz RLGRBNGXDRPFLY-AATRIKPKSA-N 0 3 222.292 0.785 20 0 BCADHN C[NH+](C)C/C=C/C(=O)[N-]OCC(F)(F)F ZINC000492159429 388336874 /nfs/dbraw/zinc/33/68/74/388336874.db2.gz YVDRCQCLSZLURC-ONEGZZNKSA-N 0 3 226.198 0.714 20 0 BCADHN COC(C)(C)CCN1CCN2C(=O)OC[C@H]2C1 ZINC000492186239 388337706 /nfs/dbraw/zinc/33/77/06/388337706.db2.gz AFVLTAYJMDJEKR-SNVBAGLBSA-N 0 3 242.319 0.938 20 0 BCADHN CS[C@@H](C)CNC(=O)/C=C\CN(C)C ZINC000492190097 388337788 /nfs/dbraw/zinc/33/77/88/388337788.db2.gz LOPLSIQJVYTLNN-UDIARPCQSA-N 0 3 216.350 0.972 20 0 BCADHN CC(C)CO[N-]C(=O)/C=C\C[NH+](C)C ZINC000492206153 388338357 /nfs/dbraw/zinc/33/83/57/388338357.db2.gz WZVGUVMZARUYSG-WAYWQWQTSA-N 0 3 200.282 0.808 20 0 BCADHN CC(C)CONC(=O)/C=C\CN(C)C ZINC000492206153 388338358 /nfs/dbraw/zinc/33/83/58/388338358.db2.gz WZVGUVMZARUYSG-WAYWQWQTSA-N 0 3 200.282 0.808 20 0 BCADHN COC(=O)N1CC(N[C@@H](C)Cn2cccn2)C1 ZINC000492241900 388339096 /nfs/dbraw/zinc/33/90/96/388339096.db2.gz AWPDAIGJWRMGLN-VIFPVBQESA-N 0 3 238.291 0.312 20 0 BCADHN COC(=O)N1CC(N[C@H](C)Cn2cccn2)C1 ZINC000492241899 388339274 /nfs/dbraw/zinc/33/92/74/388339274.db2.gz AWPDAIGJWRMGLN-SECBINFHSA-N 0 3 238.291 0.312 20 0 BCADHN CSC[C@@H](CCO)NC(=O)/C=C/CN(C)C ZINC000492273242 388339839 /nfs/dbraw/zinc/33/98/39/388339839.db2.gz OQBMRKWLRUMMEK-ORAHPGNNSA-N 0 3 246.376 0.334 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCC[C@H]1C(C)(C)O ZINC000492277272 388340202 /nfs/dbraw/zinc/34/02/02/388340202.db2.gz NVMDVCNBMKZOFZ-IOCXFXADSA-N 0 3 240.347 0.866 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2CCC(=O)N(C)C2=O)[C@H](C)O1 ZINC000333224449 388445098 /nfs/dbraw/zinc/44/50/98/388445098.db2.gz SNVIBTKOWLJIGZ-KATARQTJSA-N 0 3 240.303 0.289 20 0 BCADHN CC(C)N(C)C(=O)CNC(C)(C)CN(C)C ZINC000308630830 388445758 /nfs/dbraw/zinc/44/57/58/388445758.db2.gz IHMJVBQAGXNWQW-UHFFFAOYSA-N 0 3 229.368 0.783 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@H](C)N1 ZINC000646737056 388447922 /nfs/dbraw/zinc/44/79/22/388447922.db2.gz QFAWNLRXBZOYSJ-GRYCIOLGSA-N 0 3 239.363 0.680 20 0 BCADHN CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000394065616 388449992 /nfs/dbraw/zinc/44/99/92/388449992.db2.gz AXPHCWICUHNKMR-SNVBAGLBSA-N 0 3 249.314 0.026 20 0 BCADHN O=C(c1cccnn1)N1CC[C@@H](N2CCCC2)C1 ZINC000528372681 388451757 /nfs/dbraw/zinc/45/17/57/388451757.db2.gz MLPQHZYBVNLKBK-LLVKDONJSA-N 0 3 246.314 0.787 20 0 BCADHN Cc1cnn(CCN2CC[C@@](C)(O)C2)c1 ZINC000335590202 388452145 /nfs/dbraw/zinc/45/21/45/388452145.db2.gz VPTHUGRGJPAPIR-LLVKDONJSA-N 0 3 209.293 0.648 20 0 BCADHN CC(C)N(C)CC(=O)N1CCO[C@H]2C[C@H]21 ZINC000646743815 388452226 /nfs/dbraw/zinc/45/22/26/388452226.db2.gz WEOFBMDPIHTLCU-ZJUUUORDSA-N 0 3 212.293 0.326 20 0 BCADHN C[C@@]1(CNC(=O)[C@H]2CCCCN2)CCOC1 ZINC000336099407 388456587 /nfs/dbraw/zinc/45/65/87/388456587.db2.gz QSHKEWAIYJZIBZ-PWSUYJOCSA-N 0 3 226.320 0.671 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H](O)CC[C@@H]1C)N(C)C ZINC000649200843 388457079 /nfs/dbraw/zinc/45/70/79/388457079.db2.gz SXUOBGXUVVOCRH-DCAQKATOSA-N 0 3 228.336 0.698 20 0 BCADHN COC[C@@H]1CCN1C[C@H](O)CSC ZINC000339283495 388481115 /nfs/dbraw/zinc/48/11/15/388481115.db2.gz CGNOSEFWKOFRAC-IUCAKERBSA-N 0 3 205.323 0.431 20 0 BCADHN CCN1CCC[C@H]1CNc1ccncc1C(N)=O ZINC000649223569 388461524 /nfs/dbraw/zinc/46/15/24/388461524.db2.gz JJGFUVBYAFWXDR-JTQLQIEISA-N 0 3 248.330 0.499 20 0 BCADHN CCN(CC)CC(=O)N(C)CCN(C)C ZINC000176804829 388462483 /nfs/dbraw/zinc/46/24/83/388462483.db2.gz FTEZHZGLOKXCME-UHFFFAOYSA-N 0 3 215.341 0.348 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H]1CCC[C@@H]1OC ZINC000309832691 388466511 /nfs/dbraw/zinc/46/65/11/388466511.db2.gz ZBCYEYIFNHMRBJ-GUBZILKMSA-N 0 3 214.309 0.655 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H]1CCC[C@H]1OC ZINC000309832698 388466766 /nfs/dbraw/zinc/46/67/66/388466766.db2.gz ZBCYEYIFNHMRBJ-KXUCPTDWSA-N 0 3 214.309 0.655 20 0 BCADHN COC[C@H](C)N(C)C[C@@H]1COCCO1 ZINC000649249307 388468712 /nfs/dbraw/zinc/46/87/12/388468712.db2.gz KAJDFDRZNCMVPX-VHSXEESVSA-N 0 3 203.282 0.369 20 0 BCADHN CN(C[C@@H](O)CN1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000336720654 388468876 /nfs/dbraw/zinc/46/88/76/388468876.db2.gz SGQJRMRIDBMXLU-UPJWGTAASA-N 0 3 240.347 0.305 20 0 BCADHN COC[C@@H](O)CN1CCN(C2CCC2)CC1 ZINC000336891391 388470860 /nfs/dbraw/zinc/47/08/60/388470860.db2.gz IOBOOSDPBCBBPD-LBPRGKRZSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2cn[nH]c2)C1 ZINC000524775351 388408870 /nfs/dbraw/zinc/40/88/70/388408870.db2.gz DQSMGLZGJDRHIA-SECBINFHSA-N 0 3 222.292 0.481 20 0 BCADHN COC1(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000648818998 388412177 /nfs/dbraw/zinc/41/21/77/388412177.db2.gz SNKPOSPJMQAJRY-ZJUUUORDSA-N 0 3 238.331 0.907 20 0 BCADHN CCC[C@@H](C)[C@H](CO)NCC(=O)N1CCC1 ZINC000573124420 388421659 /nfs/dbraw/zinc/42/16/59/388421659.db2.gz ZUVKFMJLZNZJLM-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN C[C@H](NCC[C@@H]1CCNC1=O)c1cn[nH]c1 ZINC000573132965 388423021 /nfs/dbraw/zinc/42/30/21/388423021.db2.gz OIUTVHSVWQDJCK-DTWKUNHWSA-N 0 3 222.292 0.587 20 0 BCADHN CCCN(C)CC(=O)NCCN1CC[C@H](C)C1 ZINC000525292738 388425140 /nfs/dbraw/zinc/42/51/40/388425140.db2.gz WORQFCDTKUICHA-LBPRGKRZSA-N 0 3 241.379 0.786 20 0 BCADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cn(C)cn1 ZINC000245643101 388426399 /nfs/dbraw/zinc/42/63/99/388426399.db2.gz KWPMHBDZAYVZKV-MNOVXSKESA-N 0 3 248.330 0.729 20 0 BCADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cn(C)cn1 ZINC000245643108 388426461 /nfs/dbraw/zinc/42/64/61/388426461.db2.gz KWPMHBDZAYVZKV-QWRGUYRKSA-N 0 3 248.330 0.729 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000513448078 388428642 /nfs/dbraw/zinc/42/86/42/388428642.db2.gz QVKXPUGEOZKGFN-GMTAPVOTSA-N 0 3 228.336 0.602 20 0 BCADHN COC(=O)[C@@H]1CCCN(CCc2cn[nH]c2)C1 ZINC000297587113 388430879 /nfs/dbraw/zinc/43/08/79/388430879.db2.gz DUQQNTXYQDSGSA-LLVKDONJSA-N 0 3 237.303 0.837 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@H]2CCN(C)C2=O)C12CCC2 ZINC000308395956 388437966 /nfs/dbraw/zinc/43/79/66/388437966.db2.gz PHAKHYFMQPLBTO-HBNTYKKESA-N 0 3 238.331 0.764 20 0 BCADHN Cc1cc(C(=O)N(C)CCN(C)C2CC2)ncn1 ZINC000548441247 388539173 /nfs/dbraw/zinc/53/91/73/388539173.db2.gz JKBNZBDAFLZWFM-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN CO[C@H](CN)C(=O)N1CCCC[C@H]1C(C)C ZINC000352954927 388540676 /nfs/dbraw/zinc/54/06/76/388540676.db2.gz KNLMSQQGGHGMRW-WDEREUQCSA-N 0 3 228.336 0.997 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCCC[C@H]1C(C)C ZINC000352954926 388541274 /nfs/dbraw/zinc/54/12/74/388541274.db2.gz KNLMSQQGGHGMRW-QWRGUYRKSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@@H]1C[C@H](O)CN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000528519185 388541397 /nfs/dbraw/zinc/54/13/97/388541397.db2.gz STEPCDZKZLEWKC-WOPDTQHZSA-N 0 3 243.347 0.355 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCc1cnccn1 ZINC000353339746 388541847 /nfs/dbraw/zinc/54/18/47/388541847.db2.gz YSHWXKKUCLAFLB-GFCCVEGCSA-N 0 3 236.319 0.653 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCc1cnccn1 ZINC000353339747 388542012 /nfs/dbraw/zinc/54/20/12/388542012.db2.gz YSHWXKKUCLAFLB-LBPRGKRZSA-N 0 3 236.319 0.653 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N(C)Cc1cc[nH]n1 ZINC000353662993 388542395 /nfs/dbraw/zinc/54/23/95/388542395.db2.gz KGWDQPKYXBFHTB-PSASIEDQSA-N 0 3 224.308 0.742 20 0 BCADHN CN1CCC[C@@H](N2C[C@H](O)C(C)(C)C2)C1=O ZINC000517278510 388546890 /nfs/dbraw/zinc/54/68/90/388546890.db2.gz HPKDVVFCQFBRNU-ZJUUUORDSA-N 0 3 226.320 0.310 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@H](O)CSC ZINC000517352201 388547877 /nfs/dbraw/zinc/54/78/77/388547877.db2.gz NEQQYXDYLCLKLG-QWRGUYRKSA-N 0 3 232.393 0.736 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@@H](O)CSC ZINC000517352202 388548151 /nfs/dbraw/zinc/54/81/51/388548151.db2.gz NEQQYXDYLCLKLG-WDEREUQCSA-N 0 3 232.393 0.736 20 0 BCADHN COC[C@@H](O)CCNCc1conc1C ZINC000339333352 388482282 /nfs/dbraw/zinc/48/22/82/388482282.db2.gz MSJMUEQZBYXYCT-JTQLQIEISA-N 0 3 214.265 0.470 20 0 BCADHN O=C1NCCCC[C@@H]1N1CCC[C@@H](O)CC1 ZINC000339784805 388486020 /nfs/dbraw/zinc/48/60/20/388486020.db2.gz RUALQVGBSWFAOG-MNOVXSKESA-N 0 3 226.320 0.502 20 0 BCADHN CCn1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000648911431 388488756 /nfs/dbraw/zinc/48/87/56/388488756.db2.gz LXUTYQXNTJFTIO-PWSUYJOCSA-N 0 3 248.330 0.679 20 0 BCADHN CO[C@H](CNCC(=O)NC(C)C)C1CC1 ZINC000378732840 388489241 /nfs/dbraw/zinc/48/92/41/388489241.db2.gz DXQWARXTSUIXEF-SNVBAGLBSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@H](CN[C@H]1CCOC1(C)C)S(C)(=O)=O ZINC000340310686 388489954 /nfs/dbraw/zinc/48/99/54/388489954.db2.gz RPBQGMHGURYZOF-BDAKNGLRSA-N 0 3 235.349 0.577 20 0 BCADHN COC(=O)[C@H](O)C1CCN(CCCF)CC1 ZINC000135343729 388492639 /nfs/dbraw/zinc/49/26/39/388492639.db2.gz PCSWCHCVTHYZMM-SNVBAGLBSA-N 0 3 233.283 0.592 20 0 BCADHN COC[C@@H](C)N[C@@H](C)C(=O)N1CCCC1 ZINC000034936846 388493329 /nfs/dbraw/zinc/49/33/29/388493329.db2.gz RGDNSMXZKZOXBQ-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN Cc1c[nH]cc(C(=O)N[C@H](CN)C2CC2)c1=O ZINC000516568531 256792557 /nfs/dbraw/zinc/79/25/57/256792557.db2.gz JVLVRVRLZKWMDZ-SNVBAGLBSA-N 0 3 235.287 0.150 20 0 BCADHN CC[C@H]1CN(CC(=O)N(C)C(C)C)C[C@@H]1O ZINC000341006625 388494457 /nfs/dbraw/zinc/49/44/57/388494457.db2.gz HQIBQXKMCRXIOT-QWRGUYRKSA-N 0 3 228.336 0.556 20 0 BCADHN CN(C(=O)[C@@H]1C[C@H]2C[C@H]2N1)c1nccs1 ZINC000378757224 388496584 /nfs/dbraw/zinc/49/65/84/388496584.db2.gz YUHBKZYOMJHHTR-PRJMDXOYSA-N 0 3 223.301 0.856 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)COC)N(C)C ZINC000178250501 388497424 /nfs/dbraw/zinc/49/74/24/388497424.db2.gz MAKWUUYENXIXPG-NXEZZACHSA-N 0 3 216.325 0.725 20 0 BCADHN O=C1CNC(=O)N1CCN1CCCCCC1 ZINC000078338391 388497506 /nfs/dbraw/zinc/49/75/06/388497506.db2.gz AODDLICQLPEWLZ-UHFFFAOYSA-N 0 3 225.292 0.414 20 0 BCADHN CC(C)CNC(=O)CN(C)C[C@@H]1CCOC1 ZINC000178367324 388499372 /nfs/dbraw/zinc/49/93/72/388499372.db2.gz ROOHPFGTUIRZQU-NSHDSACASA-N 0 3 228.336 0.727 20 0 BCADHN CN(CC(=O)NCC1CC1)C[C@H]1CCOC1 ZINC000178360045 388499744 /nfs/dbraw/zinc/49/97/44/388499744.db2.gz HWSYJPYNTINCPY-LLVKDONJSA-N 0 3 226.320 0.481 20 0 BCADHN COc1nccc(CNCC2(N(C)C)CC2)n1 ZINC000397827002 388503393 /nfs/dbraw/zinc/50/33/93/388503393.db2.gz LSTFXHWIAQCQKY-UHFFFAOYSA-N 0 3 236.319 0.669 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCS[C@@H](C)CC1 ZINC000343914323 388503437 /nfs/dbraw/zinc/50/34/37/388503437.db2.gz FIGCYPVLTLNPOK-GXSJLCMTSA-N 0 3 247.360 0.738 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC(C)=C(C)C1 ZINC000343939320 388503775 /nfs/dbraw/zinc/50/37/75/388503775.db2.gz MMXIVJZUOQVUPX-GFCCVEGCSA-N 0 3 227.304 0.953 20 0 BCADHN CCC[C@H](CN[C@H](C)C(=O)NCC)OC ZINC000378788034 388504348 /nfs/dbraw/zinc/50/43/48/388504348.db2.gz HLJRKHWZNWQLGY-NXEZZACHSA-N 0 3 216.325 0.916 20 0 BCADHN O=C(C[C@H]1CNCCO1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397842707 388505311 /nfs/dbraw/zinc/50/53/11/388505311.db2.gz WLSZJDWWPXWYCP-VLEAKVRGSA-N 0 3 224.304 0.280 20 0 BCADHN CNCCNS(=O)(=O)CC12CCC(CC1)C2 ZINC000576888044 388509151 /nfs/dbraw/zinc/50/91/51/388509151.db2.gz BGHBMHFQMNEDMB-UHFFFAOYSA-N 0 3 246.376 0.706 20 0 BCADHN c1cn2c(n1)[C@@H](NC[C@@H]1CCOC1)CC2 ZINC000345340275 388511199 /nfs/dbraw/zinc/51/11/99/388511199.db2.gz BVWARMVDAKNYDV-UWVGGRQHSA-N 0 3 207.277 0.954 20 0 BCADHN CN(C)C1(CNc2ccc(C(N)=O)cn2)CC1 ZINC000397948999 388512919 /nfs/dbraw/zinc/51/29/19/388512919.db2.gz VTPXQYVXAMHNKW-UHFFFAOYSA-N 0 3 234.303 0.687 20 0 BCADHN CC1(CN2CCN3CCOC[C@@H]3C2)CC1 ZINC000516701041 388514892 /nfs/dbraw/zinc/51/48/92/388514892.db2.gz RKBAJOBGYJDYFS-NSHDSACASA-N 0 3 210.321 0.803 20 0 BCADHN C[C@H]1CN(C)CCN1C[C@H](O)CC1(O)CCC1 ZINC000528381254 388518381 /nfs/dbraw/zinc/51/83/81/388518381.db2.gz PNPYFCJFYATKCC-NWDGAFQWSA-N 0 3 242.363 0.288 20 0 BCADHN C[C@@H](CNC(=O)NCC(F)(F)F)N(C)C ZINC000136013791 388518754 /nfs/dbraw/zinc/51/87/54/388518754.db2.gz KIRFWOAKFDPUKQ-LURJTMIESA-N 0 3 227.230 0.798 20 0 BCADHN C[C@H](CNC(=O)NCC(F)(F)F)N(C)C ZINC000136013829 388518804 /nfs/dbraw/zinc/51/88/04/388518804.db2.gz KIRFWOAKFDPUKQ-ZCFIWIBFSA-N 0 3 227.230 0.798 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@H](C)NC ZINC000087369828 388519206 /nfs/dbraw/zinc/51/92/06/388519206.db2.gz ZNGBUFDTGKRKMB-DTWKUNHWSA-N 0 3 202.298 0.119 20 0 BCADHN Cn1nccc1NC(=O)NCC1=CCN(C)CC1 ZINC000548174080 388519764 /nfs/dbraw/zinc/51/97/64/388519764.db2.gz CQHUEOXKVMUFHX-UHFFFAOYSA-N 0 3 249.318 0.804 20 0 BCADHN C[C@@H]1COCCCN1C[C@@H](O)CC1(O)CCC1 ZINC000528423697 388522559 /nfs/dbraw/zinc/52/25/59/388522559.db2.gz JTUFIVOMDVVZPB-NEPJUHHUSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C(C)(C)CO)CN1C1CC1 ZINC000548256795 388523171 /nfs/dbraw/zinc/52/31/71/388523171.db2.gz FCLSWRFEBRKUMZ-ZJUUUORDSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C(C)(C)CO)CN1C1CC1 ZINC000548256794 388523607 /nfs/dbraw/zinc/52/36/07/388523607.db2.gz FCLSWRFEBRKUMZ-VHSXEESVSA-N 0 3 240.347 0.746 20 0 BCADHN CC1(C)CC(CN2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000528427150 388523937 /nfs/dbraw/zinc/52/39/37/388523937.db2.gz OATFOGCIYWOCOC-SNVBAGLBSA-N 0 3 246.376 0.785 20 0 BCADHN CCN(CC)C(=O)CN(C)[C@H](C)C(C)(C)O ZINC000347720397 388524929 /nfs/dbraw/zinc/52/49/29/388524929.db2.gz OCKLUEVHFGIQLJ-SNVBAGLBSA-N 0 3 230.352 0.946 20 0 BCADHN O=C(c1ccncn1)N1CC[C@H](N2CCCC2)C1 ZINC000548304857 388527409 /nfs/dbraw/zinc/52/74/09/388527409.db2.gz MXYJEJZYDGGNJU-NSHDSACASA-N 0 3 246.314 0.787 20 0 BCADHN CCC(C)(CC)NC(=O)COC1CNC1 ZINC000261544268 135185348 /nfs/dbraw/zinc/18/53/48/135185348.db2.gz IUNHFVPWGYZUDH-UHFFFAOYSA-N 0 3 214.309 0.670 20 0 BCADHN COC[C@@H](C)OC[C@H](O)CN[C@@H]1CCC[C@@H]1F ZINC000516965936 388528679 /nfs/dbraw/zinc/52/86/79/388528679.db2.gz RNSHKTIAEUKFIN-WISYIIOYSA-N 0 3 249.326 0.879 20 0 BCADHN C[C@H](O)[C@@H]1CCCN([C@@H]2CCN(C)C2=O)C1 ZINC000136316383 388530519 /nfs/dbraw/zinc/53/05/19/388530519.db2.gz SZSWQWPLRQSBRJ-HBNTYKKESA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@]12CCOC2 ZINC000516988286 388530630 /nfs/dbraw/zinc/53/06/30/388530630.db2.gz OVQMJZJPKQGVJX-UMNHJUIQSA-N 0 3 226.320 0.479 20 0 BCADHN CCOC(=O)COCCN1CCOC[C@H](C)C1 ZINC000351709845 388533229 /nfs/dbraw/zinc/53/32/29/388533229.db2.gz LPISYCYJLNSSJN-LLVKDONJSA-N 0 3 245.319 0.534 20 0 BCADHN COC(=O)CCCN1C[C@H](O)[C@@H](C)C1 ZINC000351809433 388534619 /nfs/dbraw/zinc/53/46/19/388534619.db2.gz LOWHBUULENJNAB-IUCAKERBSA-N 0 3 201.266 0.252 20 0 BCADHN CCC[C@H](O)CN(CC(N)=O)C1CCCC1 ZINC000649285445 388535896 /nfs/dbraw/zinc/53/58/96/388535896.db2.gz BFOGSDAQNMRTQP-NSHDSACASA-N 0 3 228.336 0.877 20 0 BCADHN CC1(C)OCC[C@H]1N[C@@H]1CCCCNC1=O ZINC000328204961 388586058 /nfs/dbraw/zinc/58/60/58/388586058.db2.gz HNDRFYAVAFMRDO-NXEZZACHSA-N 0 3 226.320 0.812 20 0 BCADHN C[C@H](CNC(=O)OC(C)(C)C)N(C)CCO ZINC000081671892 388589797 /nfs/dbraw/zinc/58/97/97/388589797.db2.gz WUTVFITUUQMPOK-SECBINFHSA-N 0 3 232.324 0.824 20 0 BCADHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C[C@H]1CCCO1 ZINC000549996467 388596895 /nfs/dbraw/zinc/59/68/95/388596895.db2.gz DBQUIMYJHKRUDA-USZNOCQGSA-N 0 3 238.331 0.751 20 0 BCADHN CCN(CC)CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186732191 388602169 /nfs/dbraw/zinc/60/21/69/388602169.db2.gz UZPRXKIYMSHOOE-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CCN(CC)CC(=O)N(C)CCN(C)C1CC1 ZINC000186732191 388602172 /nfs/dbraw/zinc/60/21/72/388602172.db2.gz UZPRXKIYMSHOOE-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CCNC(=O)CN[C@H](C)[C@@H]1CCCCO1 ZINC000379272325 388604580 /nfs/dbraw/zinc/60/45/80/388604580.db2.gz WUWAFFWLMQSFOF-ZJUUUORDSA-N 0 3 214.309 0.670 20 0 BCADHN OCC1(CN2CCC[C@H]2CF)COC1 ZINC000550410438 388607379 /nfs/dbraw/zinc/60/73/79/388607379.db2.gz UDVXOFVADRDSRU-VIFPVBQESA-N 0 3 203.257 0.429 20 0 BCADHN CN(C)CCNC(=O)c1ccc2n[nH]cc2c1 ZINC000082271418 388611198 /nfs/dbraw/zinc/61/11/98/388611198.db2.gz NSNGCKIQHZTQJE-UHFFFAOYSA-N 0 3 232.287 0.854 20 0 BCADHN CN1CCN(CCN2CCCC2=O)CC1(C)C ZINC000550663123 388612118 /nfs/dbraw/zinc/61/21/18/388612118.db2.gz FPBSSVYUMJQKHP-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN OC[C@@H]1CN(Cc2ccccc2F)C[C@H]1CO ZINC000528603146 388551334 /nfs/dbraw/zinc/55/13/34/388551334.db2.gz CPCFTJGBKTYRRF-RYUDHWBXSA-N 0 3 239.290 0.858 20 0 BCADHN OC[C@H](O)CNCc1cccc(-n2cccn2)c1 ZINC000548752294 388555917 /nfs/dbraw/zinc/55/59/17/388555917.db2.gz IXRFAQHMPLJVNB-CYBMUJFWSA-N 0 3 247.298 0.315 20 0 BCADHN CCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184740392 388558976 /nfs/dbraw/zinc/55/89/76/388558976.db2.gz MSLWRFZEBCZKMD-NSHDSACASA-N 0 3 242.367 0.332 20 0 BCADHN CO[C@H](C)CN1CCC(F)(F)[C@@H](CO)C1 ZINC000361405687 388559776 /nfs/dbraw/zinc/55/97/76/388559776.db2.gz XYBYHAAGAMBIBV-RKDXNWHRSA-N 0 3 223.263 0.971 20 0 BCADHN CO[C@]1(C)CCCN([C@H]2COC[C@H]2O)C1 ZINC000361392681 388560681 /nfs/dbraw/zinc/56/06/81/388560681.db2.gz UXFWKLDEBIMRFG-HBNTYKKESA-N 0 3 215.293 0.247 20 0 BCADHN OCCOC1(CNCC2(F)CC2)CCOCC1 ZINC000548780437 388562230 /nfs/dbraw/zinc/56/22/30/388562230.db2.gz HNQOOBJLJIQIMD-UHFFFAOYSA-N 0 3 247.310 0.636 20 0 BCADHN CC[C@]1(C)C[C@@H]1C(=O)N1CCN(C)C[C@H]1CN ZINC000646833243 388562882 /nfs/dbraw/zinc/56/28/82/388562882.db2.gz WSQZJFJZFNTRPZ-NQBHXWOUSA-N 0 3 239.363 0.524 20 0 BCADHN CO[C@@H](CNC(=O)C1(N)CCC1)C(C)C ZINC000362978191 388562970 /nfs/dbraw/zinc/56/29/70/388562970.db2.gz XZZRHHGQZXKGOY-VIFPVBQESA-N 0 3 214.309 0.655 20 0 BCADHN CN1CCN(C(=O)[C@@]23C[C@@H]2CCC3)[C@@H](CN)C1 ZINC000646833197 388563173 /nfs/dbraw/zinc/56/31/73/388563173.db2.gz PATZROCSPQBWTA-GVXVVHGQSA-N 0 3 237.347 0.278 20 0 BCADHN CCC[C@@H](C)N1CC[C@@H](S(=O)(=O)NC)C1 ZINC000548849379 388566067 /nfs/dbraw/zinc/56/60/67/388566067.db2.gz GXQNUHVIBIFUDL-NXEZZACHSA-N 0 3 234.365 0.799 20 0 BCADHN CC(C)(O)CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000081049462 388566732 /nfs/dbraw/zinc/56/67/32/388566732.db2.gz WORBJLRBHBGXSX-QMMMGPOBSA-N 0 3 227.226 0.756 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528756576 388566806 /nfs/dbraw/zinc/56/68/06/388566806.db2.gz KJZFTQBZBXSIRM-NAKRPEOUSA-N 0 3 249.376 0.823 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H](COC)C1 ZINC000081061417 388567268 /nfs/dbraw/zinc/56/72/68/388567268.db2.gz JXWRBQPZBXLNMS-VWYCJHECSA-N 0 3 228.336 0.855 20 0 BCADHN CON(C)C(=O)CN[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528760125 388567954 /nfs/dbraw/zinc/56/79/54/388567954.db2.gz ISHAYNGHDYNMOC-DKIAZLNASA-N 0 3 230.308 0.408 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cn[nH]n1 ZINC000528758462 388568111 /nfs/dbraw/zinc/56/81/11/388568111.db2.gz IZPMWSVNHKTJEJ-JIOCBJNQSA-N 0 3 210.281 0.706 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1c[nH]nn1 ZINC000528758462 388568114 /nfs/dbraw/zinc/56/81/14/388568114.db2.gz IZPMWSVNHKTJEJ-JIOCBJNQSA-N 0 3 210.281 0.706 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@@H](c2ccco2)C1 ZINC000370664691 388570703 /nfs/dbraw/zinc/57/07/03/388570703.db2.gz JJKFCFUJXRWADS-RKDXNWHRSA-N 0 3 208.261 0.943 20 0 BCADHN CCN(C)C(=O)CCN[C@H](C(=O)NC)C(C)C ZINC000183665690 388570812 /nfs/dbraw/zinc/57/08/12/388570812.db2.gz RLWYKRWOAAZCMG-NSHDSACASA-N 0 3 243.351 0.215 20 0 BCADHN O=C(NCCC[C@H]1CCC[NH2+]1)c1c[n-]nn1 ZINC000581130020 388571562 /nfs/dbraw/zinc/57/15/62/388571562.db2.gz BMEJHVYOLLQNQN-MRVPVSSYSA-N 0 3 223.280 0.067 20 0 BCADHN O=C(NCCC[C@H]1CCC[NH2+]1)c1cnn[n-]1 ZINC000581130020 388571567 /nfs/dbraw/zinc/57/15/67/388571567.db2.gz BMEJHVYOLLQNQN-MRVPVSSYSA-N 0 3 223.280 0.067 20 0 BCADHN O=C(NCCC[C@H]1CCC[NH2+]1)c1cn[n-]n1 ZINC000581130020 388571570 /nfs/dbraw/zinc/57/15/70/388571570.db2.gz BMEJHVYOLLQNQN-MRVPVSSYSA-N 0 3 223.280 0.067 20 0 BCADHN Cn1ccnc1CN[C@@H]1CCc2nc[nH]c2C1 ZINC000581100313 388571685 /nfs/dbraw/zinc/57/16/85/388571685.db2.gz LNXWQGJMDUNBDW-SECBINFHSA-N 0 3 231.303 0.790 20 0 BCADHN Cn1ccnc1CN[C@@H]1CCc2[nH]cnc2C1 ZINC000581100313 388571688 /nfs/dbraw/zinc/57/16/88/388571688.db2.gz LNXWQGJMDUNBDW-SECBINFHSA-N 0 3 231.303 0.790 20 0 BCADHN COCCN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528783038 388572229 /nfs/dbraw/zinc/57/22/29/388572229.db2.gz KWOYNBCKCHVMHG-BFVZDQMLSA-N 0 3 217.334 0.618 20 0 BCADHN CCN(CCO)CCNC(=O)CC(C)C ZINC000183939413 388572900 /nfs/dbraw/zinc/57/29/00/388572900.db2.gz AORBSTCEPACRFO-UHFFFAOYSA-N 0 3 216.325 0.463 20 0 BCADHN CCN(CCO)CCNC(=O)CCC1CCC1 ZINC000183993465 388573224 /nfs/dbraw/zinc/57/32/24/388573224.db2.gz RAUCSUJMXMTUMU-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN CCN(CCO)CCNC(=O)C[C@@H](C)SC ZINC000183976293 388573770 /nfs/dbraw/zinc/57/37/70/388573770.db2.gz CMZASBQSBZFDLF-SNVBAGLBSA-N 0 3 248.392 0.558 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H](C)CSC ZINC000183968671 388574014 /nfs/dbraw/zinc/57/40/14/388574014.db2.gz NQLYGCVTAPFKQN-SNVBAGLBSA-N 0 3 248.392 0.416 20 0 BCADHN CC[C@H](CO)N(C)CCn1ccccc1=O ZINC000379003785 388574995 /nfs/dbraw/zinc/57/49/95/388574995.db2.gz CGYCQWCJRQOYGN-LLVKDONJSA-N 0 3 224.304 0.551 20 0 BCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C1CC1 ZINC000184308376 388576233 /nfs/dbraw/zinc/57/62/33/388576233.db2.gz RUPWJRPKUYFXOU-NSHDSACASA-N 0 3 239.363 0.539 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccnn1 ZINC000528821307 388577110 /nfs/dbraw/zinc/57/71/10/388577110.db2.gz ZYHLMNHTHSEXGH-BXKDBHETSA-N 0 3 246.314 0.689 20 0 BCADHN CC(C)C[C@@H]1CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000245419214 388577521 /nfs/dbraw/zinc/57/75/21/388577521.db2.gz AVNLDQMXDHKUOU-ZJUUUORDSA-N 0 3 241.335 0.938 20 0 BCADHN CC/C=C/CCN1CCN(CCO)CC1 ZINC000184422293 388578600 /nfs/dbraw/zinc/57/86/00/388578600.db2.gz KDYKZMSHIUDLFI-ONEGZZNKSA-N 0 3 212.337 0.953 20 0 BCADHN CCOC[C@@H]1CCN(CC(=O)N(C)C2CC2)C1 ZINC000081519489 388579730 /nfs/dbraw/zinc/57/97/30/388579730.db2.gz NXOJRROKQXQXHJ-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN O=C(CN1C[C@@H]2CC[C@@H](O)[C@H]2C1)NCC1CC1 ZINC000252856972 388580316 /nfs/dbraw/zinc/58/03/16/388580316.db2.gz IEGQOEQBBHFOIX-SDDRHHMPSA-N 0 3 238.331 0.215 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1c[nH]ccc1=O ZINC000649301026 388581377 /nfs/dbraw/zinc/58/13/77/388581377.db2.gz AHRZLRNWQWPMPL-SECBINFHSA-N 0 3 209.249 0.297 20 0 BCADHN COCCCNC(=O)N(C)CCN(C)C1CC1 ZINC000184726259 388581764 /nfs/dbraw/zinc/58/17/64/388581764.db2.gz OXVCNOLPKXQJHR-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN CCCN(C(=O)[C@H](O)C(C)C)[C@H]1CCN(C)C1 ZINC000648996627 388686000 /nfs/dbraw/zinc/68/60/00/388686000.db2.gz WUZQSEQIUZLXGT-NWDGAFQWSA-N 0 3 242.363 0.946 20 0 BCADHN NC(=O)NC(=O)CN1CCC[C@H]2CCC[C@@H]21 ZINC000247684312 388668726 /nfs/dbraw/zinc/66/87/26/388668726.db2.gz USMWRQJAKGIUDQ-BDAKNGLRSA-N 0 3 225.292 0.446 20 0 BCADHN CC[C@H]1CCN(CC(=O)NC(=O)NC2CC2)C1 ZINC000125198942 388669127 /nfs/dbraw/zinc/66/91/27/388669127.db2.gz YDJCDQLUMWZNFQ-VIFPVBQESA-N 0 3 239.319 0.707 20 0 BCADHN CC[C@H](C)N1CCN(CCO)[C@H](C)C1 ZINC000192834509 388686184 /nfs/dbraw/zinc/68/61/84/388686184.db2.gz APOWUSHNKUASRI-WDEREUQCSA-N 0 3 200.326 0.783 20 0 BCADHN CC(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC000125540228 388673413 /nfs/dbraw/zinc/67/34/13/388673413.db2.gz HCEKBKOFWQAUIX-UHFFFAOYSA-N 0 3 244.335 0.738 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC000522011709 388675163 /nfs/dbraw/zinc/67/51/63/388675163.db2.gz QQYBEFYLQUMCRX-NXEZZACHSA-N 0 3 242.319 0.396 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N1CC[C@](C)(O)C1 ZINC000248367721 388676691 /nfs/dbraw/zinc/67/66/91/388676691.db2.gz UJJDEVATDCCCBF-PWSUYJOCSA-N 0 3 228.336 0.700 20 0 BCADHN CN(C)CCNC(=O)c1ccc2cc[nH]c2n1 ZINC000077871795 388678076 /nfs/dbraw/zinc/67/80/76/388678076.db2.gz MXUDXCUQLANANY-UHFFFAOYSA-N 0 3 232.287 0.854 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](CC)C1 ZINC000125828539 388678465 /nfs/dbraw/zinc/67/84/65/388678465.db2.gz MHJWKBCYLUQMFF-VHSXEESVSA-N 0 3 241.335 0.953 20 0 BCADHN COC[C@@H](NCC(=O)NC(C)(C)C)C1CC1 ZINC000125845880 388678983 /nfs/dbraw/zinc/67/89/83/388678983.db2.gz VPWSWKGKGMCVHZ-SNVBAGLBSA-N 0 3 228.336 0.916 20 0 BCADHN CN[C@@H](C)C(=O)NCCOC1CCCC1 ZINC000082627809 388618593 /nfs/dbraw/zinc/61/85/93/388618593.db2.gz CIBSMZCHAITGNT-VIFPVBQESA-N 0 3 214.309 0.670 20 0 BCADHN CNC(=O)CCN(C)CCOCC(F)F ZINC000189081346 388620319 /nfs/dbraw/zinc/62/03/19/388620319.db2.gz XTUFJMDTKVDDBN-UHFFFAOYSA-N 0 3 224.251 0.336 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](CC)C1 ZINC000246228447 388624684 /nfs/dbraw/zinc/62/46/84/388624684.db2.gz MHJWKBCYLUQMFF-ZJUUUORDSA-N 0 3 241.335 0.953 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1nncs1 ZINC000530188624 388625003 /nfs/dbraw/zinc/62/50/03/388625003.db2.gz VLFGNXOLBBPZMP-LURJTMIESA-N 0 3 214.294 0.218 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1CC[C@@H](CO)C1 ZINC000246251983 388626560 /nfs/dbraw/zinc/62/65/60/388626560.db2.gz FLIPLLGHFQNAFD-GHMZBOCLSA-N 0 3 228.336 0.556 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@@](C)(O)C2)CCO1 ZINC000192752958 388684392 /nfs/dbraw/zinc/68/43/92/388684392.db2.gz WRKPNILKCYMMKZ-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1)c1cccnc1 ZINC000530218089 388631438 /nfs/dbraw/zinc/63/14/38/388631438.db2.gz BQDLJVXWYVMATA-CMPLNLGQSA-N 0 3 221.304 0.721 20 0 BCADHN C[C@H](O)CCN(C)CCOCC(F)F ZINC000189421327 388633281 /nfs/dbraw/zinc/63/32/81/388633281.db2.gz YDVUJSBJYJRDBV-QMMMGPOBSA-N 0 3 211.252 0.971 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1)c1cncc(F)c1 ZINC000530223168 388633736 /nfs/dbraw/zinc/63/37/36/388633736.db2.gz OZBAMSCCRTXZFL-JOYOIKCWSA-N 0 3 239.294 0.860 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC[C@H]1COCCN1 ZINC000530224153 388633805 /nfs/dbraw/zinc/63/38/05/388633805.db2.gz QXZMQZDEVDNAEJ-KOLCDFICSA-N 0 3 238.335 0.368 20 0 BCADHN C[C@@H](NC[C@@H]1COCCN1)c1ccnn1C ZINC000530225788 388635655 /nfs/dbraw/zinc/63/56/55/388635655.db2.gz NJJSMAGKGNVFRB-NXEZZACHSA-N 0 3 224.308 0.059 20 0 BCADHN Cc1nccnc1[C@H](C)NC[C@H]1COCCN1 ZINC000530228031 388636995 /nfs/dbraw/zinc/63/69/95/388636995.db2.gz XQEJODUPDKYUBJ-QWRGUYRKSA-N 0 3 236.319 0.424 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc(N)cn2)[C@@H](C)CN1 ZINC000521870990 388637087 /nfs/dbraw/zinc/63/70/87/388637087.db2.gz RXYJWRSIZODRLH-BDAKNGLRSA-N 0 3 234.303 0.486 20 0 BCADHN C[C@@H]1CN(CCN2CCC(C)(O)CC2)CCO1 ZINC000192758276 388684814 /nfs/dbraw/zinc/68/48/14/388684814.db2.gz DWZWENKJXBNHIZ-GFCCVEGCSA-N 0 3 242.363 0.554 20 0 BCADHN CCN1CCN(CCCC(=O)N(C)C)CC1 ZINC000551775328 388640671 /nfs/dbraw/zinc/64/06/71/388640671.db2.gz CKEKJDOVFYALFU-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCOC1(C)C ZINC000328374673 388641750 /nfs/dbraw/zinc/64/17/50/388641750.db2.gz JYOZVURITUBNID-UWVGGRQHSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H](N[C@@H](C)C1CCOCC1)c1nnnn1C ZINC000189861105 388644209 /nfs/dbraw/zinc/64/42/09/388644209.db2.gz ALWCDELUMSSYRV-DTWKUNHWSA-N 0 3 239.323 0.676 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)C[C@H]1CCCOC1 ZINC000246584880 388645121 /nfs/dbraw/zinc/64/51/21/388645121.db2.gz SJRBOZQXTAWSBX-GHMZBOCLSA-N 0 3 228.336 0.822 20 0 BCADHN C[C@H](CCNC(=O)[C@@H]1CCN(C)C1)[S@](C)=O ZINC000551920745 388647525 /nfs/dbraw/zinc/64/75/25/388647525.db2.gz BERDNLVNYAUSNM-LYGAQUJYSA-N 0 3 246.376 0.211 20 0 BCADHN C[C@H](CCNC(=O)[C@H]1CCN(C)C1)[S@@](C)=O ZINC000551920741 388647628 /nfs/dbraw/zinc/64/76/28/388647628.db2.gz BERDNLVNYAUSNM-KCWFYHRYSA-N 0 3 246.376 0.211 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC(F)(F)CN ZINC000261586279 135227612 /nfs/dbraw/zinc/22/76/12/135227612.db2.gz QYRLABRQKGORSR-RQJHMYQMSA-N 0 3 223.267 0.070 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN(C[C@H]2C[C@@H]2C)C1 ZINC000530359261 388651639 /nfs/dbraw/zinc/65/16/39/388651639.db2.gz OKQVJFPLEZQDHW-IVZWLZJFSA-N 0 3 232.349 0.266 20 0 BCADHN CC[C@@H]1CN(C(=O)c2cncc([O-])c2)C[C@H](C)[NH2+]1 ZINC000620898176 388652321 /nfs/dbraw/zinc/65/23/21/388652321.db2.gz QRCGXTMIHMKFAZ-GXSJLCMTSA-N 0 3 249.314 1.000 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000552002011 388655536 /nfs/dbraw/zinc/65/55/36/388655536.db2.gz QKTLROOFDWNSOZ-VXGBXAGGSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@H]1CC(O)C[C@H](C)N1CC(=O)N(C)C1CC1 ZINC000191288097 388662402 /nfs/dbraw/zinc/66/24/02/388662402.db2.gz MSYZVXGOIONRMJ-UWVGGRQHSA-N 0 3 240.347 0.841 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)COC(F)F)C1 ZINC000552066020 388664332 /nfs/dbraw/zinc/66/43/32/388664332.db2.gz WEPJSHWPIPUXHU-MRVPVSSYSA-N 0 3 236.262 0.684 20 0 BCADHN COCCC1(CNCc2cnnn2C)CC1 ZINC000124595408 388664729 /nfs/dbraw/zinc/66/47/29/388664729.db2.gz MSSOPGKAWWFOKP-UHFFFAOYSA-N 0 3 224.308 0.721 20 0 BCADHN CCN1CCC[C@H](NC(=O)C2(O)CCCC2)C1 ZINC000194666021 388738423 /nfs/dbraw/zinc/73/84/23/388738423.db2.gz WUUBCPTTXYBHHP-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN CCO[C@@H](C)C(=O)NC[C@H]1CCCN1C ZINC000194699703 388739448 /nfs/dbraw/zinc/73/94/48/388739448.db2.gz FPXQOZLOVNPZJO-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1CCN(CC(=O)NC2CCN(C)CC2)C1 ZINC000552883095 388739559 /nfs/dbraw/zinc/73/95/59/388739559.db2.gz OYPDKUIOTVLEJI-LLVKDONJSA-N 0 3 239.363 0.539 20 0 BCADHN CSC[C@@](C)(O)CNCc1cnnn1C ZINC000227126362 388741852 /nfs/dbraw/zinc/74/18/52/388741852.db2.gz YMUCSIIQIIHILA-VIFPVBQESA-N 0 3 230.337 0.019 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000227322434 388747501 /nfs/dbraw/zinc/74/75/01/388747501.db2.gz MDVHGTSSERRUHG-VPOLOUISSA-N 0 3 228.336 0.780 20 0 BCADHN CC(C(=O)NCCCC1CC1)S(C)(=O)=O ZINC000128321651 388747829 /nfs/dbraw/zinc/74/78/29/388747829.db2.gz UJFQGXPGJDBLME-QMMMGPOBSA-N 0 3 233.333 0.726 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCCc2ccccc21 ZINC000227345482 388748728 /nfs/dbraw/zinc/74/87/28/388748728.db2.gz XLTHXNQBQRUGCY-LBPRGKRZSA-N 0 3 234.299 0.940 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cccc(C)c1 ZINC000227345539 388749363 /nfs/dbraw/zinc/74/93/63/388749363.db2.gz ALYPLFARHBGGPI-JTQLQIEISA-N 0 3 208.261 0.907 20 0 BCADHN C[C@@H](CO)NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000539167128 388749606 /nfs/dbraw/zinc/74/96/06/388749606.db2.gz KKWDNDDXYYDUPW-LPEHRKFASA-N 0 3 229.324 0.149 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1CCC[C@@H]1C ZINC000227383460 388749791 /nfs/dbraw/zinc/74/97/91/388749791.db2.gz HZJOGNRIWGXSLD-XHNCKOQMSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCn2cccc2)C1 ZINC000553158151 388750006 /nfs/dbraw/zinc/75/00/06/388750006.db2.gz NUALEEYPRNJZEZ-GFCCVEGCSA-N 0 3 235.331 0.946 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC(C)(C)CC1 ZINC000227382240 388750145 /nfs/dbraw/zinc/75/01/45/388750145.db2.gz RZVWUVFIQIUDHS-SECBINFHSA-N 0 3 214.309 0.609 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cnn(C(C)C)c1 ZINC000227382133 388750194 /nfs/dbraw/zinc/75/01/94/388750194.db2.gz CZCSWONNSKZZSZ-SECBINFHSA-N 0 3 226.280 0.376 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000227380332 388750496 /nfs/dbraw/zinc/75/04/96/388750496.db2.gz CIVDGHKBAQJKBO-KXUCPTDWSA-N 0 3 214.309 0.607 20 0 BCADHN CCC1(CNC(=O)[C@@H](CN)OC)CC1 ZINC000227417486 388750956 /nfs/dbraw/zinc/75/09/56/388750956.db2.gz JMAQJDTUPHQQRQ-MRVPVSSYSA-N 0 3 200.282 0.267 20 0 BCADHN Cc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)ncn1 ZINC000128355895 388751342 /nfs/dbraw/zinc/75/13/42/388751342.db2.gz WLHAIRMVFKXPSV-SNVBAGLBSA-N 0 3 248.330 0.998 20 0 BCADHN CCC1(NC(=O)[C@@H](CN)OC)CCC1 ZINC000227405762 388751628 /nfs/dbraw/zinc/75/16/28/388751628.db2.gz FDXPTGDHWPWALL-MRVPVSSYSA-N 0 3 200.282 0.409 20 0 BCADHN C[C@@H](O)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000553223878 388754768 /nfs/dbraw/zinc/75/47/68/388754768.db2.gz FLHIBVZGXQRTCQ-UTUOFQBUSA-N 0 3 240.347 0.558 20 0 BCADHN CO[C@@H]1CN([C@H]2CCN(C)C2=O)CC[C@@H]1C ZINC000251855837 388755275 /nfs/dbraw/zinc/75/52/75/388755275.db2.gz NVKCWEIVLMEAAK-GARJFASQSA-N 0 3 226.320 0.574 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)CCCCCO ZINC000126111911 388688411 /nfs/dbraw/zinc/68/84/11/388688411.db2.gz SQGIFNOAEJSMFD-YGRLFVJLSA-N 0 3 221.366 0.848 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N[C@@H](COC)C(C)C ZINC000086700247 388690794 /nfs/dbraw/zinc/69/07/94/388690794.db2.gz ZBXCKJSJKOSFBB-IUCAKERBSA-N 0 3 245.323 0.091 20 0 BCADHN CCCN(C(=O)c1cn[nH]c1)[C@@H]1CCN(C)C1 ZINC000649001533 388690940 /nfs/dbraw/zinc/69/09/40/388690940.db2.gz OGYDEWMBEFYNDO-LLVKDONJSA-N 0 3 236.319 0.966 20 0 BCADHN CN(C[C@H](O)COC[C@H]1CCCO1)C1CC1 ZINC000248775781 388692026 /nfs/dbraw/zinc/69/20/26/388692026.db2.gz TVQJQSIQMIQPSR-NWDGAFQWSA-N 0 3 229.320 0.637 20 0 BCADHN CC(C)CC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000552309715 388692168 /nfs/dbraw/zinc/69/21/68/388692168.db2.gz TXNXVMMSAOQMCP-SNVBAGLBSA-N 0 3 243.351 0.215 20 0 BCADHN CCCN(C(=O)c1cc[nH]n1)[C@H]1CCN(C)C1 ZINC000649002664 388694534 /nfs/dbraw/zinc/69/45/34/388694534.db2.gz KSOMHQNYWIXKGZ-JTQLQIEISA-N 0 3 236.319 0.966 20 0 BCADHN CCCN(C(=O)c1ccn[nH]1)[C@H]1CCN(C)C1 ZINC000649002664 388694537 /nfs/dbraw/zinc/69/45/37/388694537.db2.gz KSOMHQNYWIXKGZ-JTQLQIEISA-N 0 3 236.319 0.966 20 0 BCADHN CCC[C@@H](C)NC(=O)[C@H](C)N1CC[C@@H](CO)C1 ZINC000225979307 388695619 /nfs/dbraw/zinc/69/56/19/388695619.db2.gz CJWIEZGZWIHHSL-GRYCIOLGSA-N 0 3 242.363 0.994 20 0 BCADHN CCN(CC)CC(=O)NCCCCCO ZINC000193281812 388698537 /nfs/dbraw/zinc/69/85/37/388698537.db2.gz JJPCBNRHHDCKON-UHFFFAOYSA-N 0 3 216.325 0.607 20 0 BCADHN CCCN(C(=O)COC)[C@@H]1CCN(C)C1 ZINC000649005149 388699725 /nfs/dbraw/zinc/69/97/25/388699725.db2.gz QKTSIFKXPLNSTI-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)CC2CC2)[C@H]1CO ZINC000248946467 388700097 /nfs/dbraw/zinc/70/00/97/388700097.db2.gz OWZIOGYQGQWGBJ-JQWIXIFHSA-N 0 3 240.347 0.558 20 0 BCADHN COC[C@@H]1CN(CCCCCO)C[C@@H](C)O1 ZINC000251844699 388755925 /nfs/dbraw/zinc/75/59/25/388755925.db2.gz MZKDZNDFVZYKME-NEPJUHHUSA-N 0 3 231.336 0.885 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2ccn(C)c2)C1 ZINC000126717935 388700528 /nfs/dbraw/zinc/70/05/28/388700528.db2.gz RGTUFHOSDGJRMY-GFCCVEGCSA-N 0 3 221.304 0.736 20 0 BCADHN C[C@H](OC[C@@H]1CCCO1)C(=O)NCCN(C)C ZINC000195207724 388700765 /nfs/dbraw/zinc/70/07/65/388700765.db2.gz HRDUZMLOTCBFSH-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)CC2CC2)[C@H]1CO ZINC000248946471 388701110 /nfs/dbraw/zinc/70/11/10/388701110.db2.gz OWZIOGYQGQWGBJ-PWSUYJOCSA-N 0 3 240.347 0.558 20 0 BCADHN CCCN(C)CC(=O)NCc1cccc(=O)[nH]1 ZINC000538596054 388703012 /nfs/dbraw/zinc/70/30/12/388703012.db2.gz LNYYCQJVSHUVJA-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN C[C@@H](O)CN(CCOCC1CC1)[C@H](C)CO ZINC000249003479 388703118 /nfs/dbraw/zinc/70/31/18/388703118.db2.gz ZENQTFPCODBTLU-GHMZBOCLSA-N 0 3 231.336 0.477 20 0 BCADHN CCN1C[C@@H](C)N(C[C@H](O)COC)C[C@@H]1C ZINC000538627093 388704109 /nfs/dbraw/zinc/70/41/09/388704109.db2.gz AOISZWFCDOZYFI-TUAOUCFPSA-N 0 3 230.352 0.408 20 0 BCADHN Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)o1 ZINC000552439231 388708105 /nfs/dbraw/zinc/70/81/05/388708105.db2.gz FAJUHQPCBWYITC-UWVGGRQHSA-N 0 3 238.287 0.335 20 0 BCADHN CN(C)CCNC(=O)c1cc(Cl)c[nH]1 ZINC000126900288 388708235 /nfs/dbraw/zinc/70/82/35/388708235.db2.gz ASQXCKDGIHTDIH-UHFFFAOYSA-N 0 3 215.684 0.960 20 0 BCADHN Cn1cc(CCN2CC[C@](C)(O)C2)cn1 ZINC000226210163 388710669 /nfs/dbraw/zinc/71/06/69/388710669.db2.gz BPTSZVSEQUNVLR-NSHDSACASA-N 0 3 209.293 0.419 20 0 BCADHN CN1CC[C@H](N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1=O ZINC000226227846 388711407 /nfs/dbraw/zinc/71/14/07/388711407.db2.gz KQIFSBOHZPRRLC-MMWGEVLESA-N 0 3 238.331 0.620 20 0 BCADHN CSC[C@H](O)CN(C)CCN(C)C1CC1 ZINC000249195087 388712076 /nfs/dbraw/zinc/71/20/76/388712076.db2.gz BJGAIIMIHPRDKS-LLVKDONJSA-N 0 3 232.393 0.736 20 0 BCADHN NC(=O)[N-]C(=O)OCCC[NH+]1CCCCC1 ZINC000195527415 388713010 /nfs/dbraw/zinc/71/30/10/388713010.db2.gz VIMGDTWTCLMMAU-UHFFFAOYSA-N 0 3 229.280 0.667 20 0 BCADHN O=C(CCN(CCO)C1CC1)NC1CCCC1 ZINC000193755521 388714663 /nfs/dbraw/zinc/71/46/63/388714663.db2.gz YZGUJJDPUFPWRL-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCC[C@@H](O)CC ZINC000226332097 388715737 /nfs/dbraw/zinc/71/57/37/388715737.db2.gz TYWHNFWSIQYAMF-KXUCPTDWSA-N 0 3 216.325 0.637 20 0 BCADHN CCC(CC)[C@@H](O)CNC(=O)CNC ZINC000226347210 388716179 /nfs/dbraw/zinc/71/61/79/388716179.db2.gz ZJSXTVWCDRSKHI-VIFPVBQESA-N 0 3 202.298 0.119 20 0 BCADHN COC[C@@H]1CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000081062095 388717136 /nfs/dbraw/zinc/71/71/36/388717136.db2.gz ROTSKXNSBATLKR-NXEZZACHSA-N 0 3 214.309 0.465 20 0 BCADHN CCS[C@@H]1CCC[C@@H]1NC(=O)CNC ZINC000226382403 388717554 /nfs/dbraw/zinc/71/75/54/388717554.db2.gz FNIVSJJXVNGIGT-DTWKUNHWSA-N 0 3 216.350 0.996 20 0 BCADHN O[C@H](CN1CCC[C@H](O)C1)CC(F)(F)F ZINC000249510390 388725062 /nfs/dbraw/zinc/72/50/62/388725062.db2.gz ZRLWBXROBQVASO-YUMQZZPRSA-N 0 3 227.226 0.756 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000066921985 388725357 /nfs/dbraw/zinc/72/53/57/388725357.db2.gz YVUTYMWHCWSPKD-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H]1COCCN1CCN1CCCC[C@H]1CO ZINC000249547495 388726908 /nfs/dbraw/zinc/72/69/08/388726908.db2.gz KIWGNJVHHPLZSQ-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN CC[C@@]1(CO)CCCN([C@H]2CCNC2=O)C1 ZINC000249558090 388727049 /nfs/dbraw/zinc/72/70/49/388727049.db2.gz KPYJROOERWHFMX-CMPLNLGQSA-N 0 3 226.320 0.359 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1C[C@@H](O)C1(C)C ZINC000226729926 388727934 /nfs/dbraw/zinc/72/79/34/388727934.db2.gz BMUOCOSEYBRABD-IVZWLZJFSA-N 0 3 249.376 0.559 20 0 BCADHN Cn1c(=O)[nH]nc1SCCN1CCCCC1 ZINC000194280795 388727987 /nfs/dbraw/zinc/72/79/87/388727987.db2.gz KFJCPHCZKFCREX-UHFFFAOYSA-N 0 3 242.348 0.686 20 0 BCADHN COC[C@H](CNCc1cccnc1)OC ZINC000227707682 388757100 /nfs/dbraw/zinc/75/71/00/388757100.db2.gz GMCVUEWCSWDLBS-NSHDSACASA-N 0 3 210.277 0.833 20 0 BCADHN C[C@H](CNC(=O)NCCCCO)N(C)C1CC1 ZINC000194419208 388731564 /nfs/dbraw/zinc/73/15/64/388731564.db2.gz JKFNOPXCVXCEDE-SNVBAGLBSA-N 0 3 243.351 0.541 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@H](O)[C@@H](C)C1 ZINC000249768802 388733262 /nfs/dbraw/zinc/73/32/62/388733262.db2.gz BJGKHQKKPOIHDY-KWQFWETISA-N 0 3 209.293 0.921 20 0 BCADHN CN(C)CCNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000127911862 388733907 /nfs/dbraw/zinc/73/39/07/388733907.db2.gz NQLSKXIGKDUIPT-UHFFFAOYSA-N 0 3 248.286 0.961 20 0 BCADHN CC[C@@H](O)CN1CCN(C)[C@@H](C)[C@H]1C ZINC000540042963 388792631 /nfs/dbraw/zinc/79/26/31/388792631.db2.gz MNPIWKBDKUGMBJ-HBNTYKKESA-N 0 3 200.326 0.782 20 0 BCADHN C[C@@H](N[C@H]1CN(C2CC2)C[C@@H]1C)C(=O)N(C)C ZINC000540219605 388800451 /nfs/dbraw/zinc/80/04/51/388800451.db2.gz BTEXOGCJSCYXLH-UMNHJUIQSA-N 0 3 239.363 0.535 20 0 BCADHN C[C@@H](CO)NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000540277921 388802433 /nfs/dbraw/zinc/80/24/33/388802433.db2.gz UFOFHKXLOSRPFQ-ATZCPNFKSA-N 0 3 241.335 0.149 20 0 BCADHN CSCCC(=O)N1CCCNCC1 ZINC000020248671 388759190 /nfs/dbraw/zinc/75/91/90/388759190.db2.gz HYEOZFPQMVICMI-UHFFFAOYSA-N 0 3 202.323 0.561 20 0 BCADHN CC(C)OC(=O)NC[C@](C)(O)CN(C)C ZINC000227908936 388761204 /nfs/dbraw/zinc/76/12/04/388761204.db2.gz FZOMUQPZVXKFER-JTQLQIEISA-N 0 3 218.297 0.434 20 0 BCADHN Cn1nccc1CN[C@H]1CC[C@H](O)CC1 ZINC000252707532 388772086 /nfs/dbraw/zinc/77/20/86/388772086.db2.gz XJQDPISOJJOEOH-HOMQSWHASA-N 0 3 209.293 0.813 20 0 BCADHN CNC(=O)[C@H]1CCCN(Cc2cnoc2C)C1 ZINC000128606831 388775686 /nfs/dbraw/zinc/77/56/86/388775686.db2.gz LGUKPPJIGHNJRV-JTQLQIEISA-N 0 3 237.303 0.941 20 0 BCADHN CO[C@H]1CCCN([C@@H]2CCCN(C)C2=O)C1 ZINC000539813117 388779706 /nfs/dbraw/zinc/77/97/06/388779706.db2.gz SOZUNIDCCGDSSM-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN CN(C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000193159758 388782117 /nfs/dbraw/zinc/78/21/17/388782117.db2.gz WCDUERPCOVSBMQ-UHFFFAOYSA-N 0 3 225.336 0.291 20 0 BCADHN COC[C@@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000539880863 388787366 /nfs/dbraw/zinc/78/73/66/388787366.db2.gz NDBTVVGMGPBUKW-OUAUKWLOSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@H]1CCCN(CCCS(N)(=O)=O)C1 ZINC000068455007 388787487 /nfs/dbraw/zinc/78/74/87/388787487.db2.gz IVYDDQXGDWDVCW-VIFPVBQESA-N 0 3 220.338 0.397 20 0 BCADHN O=C1C[C@@H]([C@H]2CCCCN2Cc2cc[nH]n2)CN1 ZINC000539923933 388789059 /nfs/dbraw/zinc/78/90/59/388789059.db2.gz MTRYYEUECVPBST-ZYHUDNBSSA-N 0 3 248.330 0.900 20 0 BCADHN CCc1ncncc1C(=O)N[C@@H](C)CN(C)C ZINC000553790974 388789403 /nfs/dbraw/zinc/78/94/03/388789403.db2.gz KCPHGZODYLFLBG-VIFPVBQESA-N 0 3 236.319 0.719 20 0 BCADHN CCCNC(=O)CN(C)[C@@H]1CCCC[C@H]1O ZINC000252889992 388789451 /nfs/dbraw/zinc/78/94/51/388789451.db2.gz GBVJGONAOZCUBC-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H](O)C(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000553772537 388789560 /nfs/dbraw/zinc/78/95/60/388789560.db2.gz OBDUUHSBLJGMKH-AXFHLTTASA-N 0 3 226.320 0.452 20 0 BCADHN CN1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)[C@H](CN)C1 ZINC000250401180 388791028 /nfs/dbraw/zinc/79/10/28/388791028.db2.gz SRNWAHJSXSGOEL-WYUUTHIRSA-N 0 3 237.347 0.134 20 0 BCADHN C[C@H]1C[C@H](NC(=O)Cn2ccnc2)CN1C1CC1 ZINC000555228185 388843527 /nfs/dbraw/zinc/84/35/27/388843527.db2.gz UYGDGDXKFIIGHQ-QWRGUYRKSA-N 0 3 248.330 0.625 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1cnc(N)cn1 ZINC000230104707 388816101 /nfs/dbraw/zinc/81/61/01/388816101.db2.gz HHSMLYAIEYRCIW-SECBINFHSA-N 0 3 249.318 0.225 20 0 BCADHN CC(C)(O)C(=O)NCCN1CCCCC1 ZINC000230102096 388816318 /nfs/dbraw/zinc/81/63/18/388816318.db2.gz TVKWJWBLWCQOLR-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN CCOC[C@H]1CCN(CC(=O)N(C)C)C1 ZINC000081519314 135387975 /nfs/dbraw/zinc/38/79/75/135387975.db2.gz QFOJWTOCMRPKTL-JTQLQIEISA-N 0 3 214.309 0.433 20 0 BCADHN CC(C)C(C)(C)NC(=O)C(C)S(C)(=O)=O ZINC000554506437 388816732 /nfs/dbraw/zinc/81/67/32/388816732.db2.gz JZINVHZDIPPSAL-QMMMGPOBSA-N 0 3 235.349 0.970 20 0 BCADHN CC[C@@H](C)CN1CCC[C@H](S(N)(=O)=O)C1 ZINC000374934426 388818764 /nfs/dbraw/zinc/81/87/64/388818764.db2.gz UQZBYNGMCIOLQI-ZJUUUORDSA-N 0 3 234.365 0.785 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCN(C)C2=O)CCCO1 ZINC000540910901 388825288 /nfs/dbraw/zinc/82/52/88/388825288.db2.gz CLUQMCPFZBMZTC-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN COCc1cc(N(C)CCN(C)C)ncn1 ZINC000554639225 388825340 /nfs/dbraw/zinc/82/53/40/388825340.db2.gz XRGCPCZTQMSLHB-UHFFFAOYSA-N 0 3 224.308 0.621 20 0 BCADHN CN(C[C@@H]1CCC[C@H]1O)[C@H]1CCCN(C)C1=O ZINC000540911225 388826023 /nfs/dbraw/zinc/82/60/23/388826023.db2.gz KIXRWLPARCOMGV-SDDRHHMPSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](O)[C@H]1CCCN([C@H]2CCCN(C)C2=O)C1 ZINC000540911387 388826459 /nfs/dbraw/zinc/82/64/59/388826459.db2.gz UMIWHBAMRMZYOO-SRVKXCTJSA-N 0 3 240.347 0.700 20 0 BCADHN CN(CCC(=O)NCCCO)c1ccncc1 ZINC000540928774 388827535 /nfs/dbraw/zinc/82/75/35/388827535.db2.gz XJVBRIJTNPNWPU-UHFFFAOYSA-N 0 3 237.303 0.407 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)Cn1ccnc1 ZINC000555222008 388842433 /nfs/dbraw/zinc/84/24/33/388842433.db2.gz CWDXOXVGTIBKGF-SNVBAGLBSA-N 0 3 222.292 0.094 20 0 BCADHN CCN(CC)[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000193325768 388851775 /nfs/dbraw/zinc/85/17/75/388851775.db2.gz AATVXYUEHTYWNM-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CC(C(N)=O)S(=O)(=O)CC1CCCCC1 ZINC000069634873 388852801 /nfs/dbraw/zinc/85/28/01/388852801.db2.gz QUPMKRWLPHCRLG-QMMMGPOBSA-N 0 3 233.333 0.855 20 0 BCADHN CCO[C@@H]1C[C@H]1NC(=O)NC[C@H]1CCCN1C ZINC000555657230 388859072 /nfs/dbraw/zinc/85/90/72/388859072.db2.gz PSKHJBKEBLSWRL-GMTAPVOTSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H]1CSCCN1C(=O)CNC1CC1 ZINC000069761752 388865278 /nfs/dbraw/zinc/86/52/78/388865278.db2.gz FWIBRCHMLPLQIF-MRVPVSSYSA-N 0 3 214.334 0.702 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H](C)C[C@@H](C)O)N(C)C ZINC000541243755 388846945 /nfs/dbraw/zinc/84/69/45/388846945.db2.gz SABKSUZGBLTJHF-HBNTYKKESA-N 0 3 230.352 0.848 20 0 BCADHN Cc1cccc(S(=O)(=O)[N-]C[C@H](C)[NH3+])c1F ZINC000193318677 388848567 /nfs/dbraw/zinc/84/85/67/388848567.db2.gz IMFNTCLAZOJGMJ-QMMMGPOBSA-N 0 3 246.307 0.760 20 0 BCADHN CC1(CN2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000564624513 388880728 /nfs/dbraw/zinc/88/07/28/388880728.db2.gz KRCKRJFSMLHOHU-MRVPVSSYSA-N 0 3 218.322 0.149 20 0 BCADHN O=C1[C@@H]2C[C@@H]2C(=O)N1CCCN1CCCCC1 ZINC000564752207 388887486 /nfs/dbraw/zinc/88/74/86/388887486.db2.gz GULWZOKNLZLKEI-PHIMTYICSA-N 0 3 236.315 0.867 20 0 BCADHN CCCCOCC(=O)NC[C@](C)(O)CN(C)C ZINC000152883268 388889877 /nfs/dbraw/zinc/88/98/77/388889877.db2.gz JEDMHRMNUILILH-LBPRGKRZSA-N 0 3 246.351 0.232 20 0 BCADHN CC[C@H](O)[C@H](CC)NC[C@@H](C)S(C)(=O)=O ZINC000564974522 388903881 /nfs/dbraw/zinc/90/38/81/388903881.db2.gz BUQVSQXXQULNBN-UTLUCORTSA-N 0 3 237.365 0.559 20 0 BCADHN Cn1c(CNC(=O)[C@@H]2C[C@@H]2N)nnc1C1CCC1 ZINC000564831016 388892636 /nfs/dbraw/zinc/89/26/36/388892636.db2.gz ZIRKUKNKWQPPLU-BDAKNGLRSA-N 0 3 249.318 0.046 20 0 BCADHN CCOC1CC(CCNC(=O)[C@@H](CN)OC)C1 ZINC000564841558 388892765 /nfs/dbraw/zinc/89/27/65/388892765.db2.gz NWFUMNMPHKVMGQ-VQXHTEKXSA-N 0 3 244.335 0.282 20 0 BCADHN C[C@H](O)CN[C@@H]1CCN(c2ccccc2)C1=O ZINC000564856537 388895576 /nfs/dbraw/zinc/89/55/76/388895576.db2.gz WSCHORSUPNJLKZ-CMPLNLGQSA-N 0 3 234.299 0.762 20 0 BCADHN c1cnn(CCN2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000564881094 388895877 /nfs/dbraw/zinc/89/58/77/388895877.db2.gz NTWWOEUXJJKJRF-SNVBAGLBSA-N 0 3 232.291 0.491 20 0 BCADHN CCc1ccc([C@@H](CO)NCCC(N)=O)cc1 ZINC000564974396 388903797 /nfs/dbraw/zinc/90/37/97/388903797.db2.gz AQGIHAIEWWAZQT-GFCCVEGCSA-N 0 3 236.315 0.747 20 0 BCADHN FC(F)[C@@H]1CNCCN1CCn1cccn1 ZINC000565046741 388911066 /nfs/dbraw/zinc/91/10/66/388911066.db2.gz RXNFBKQLSKCYFG-VIFPVBQESA-N 0 3 230.262 0.422 20 0 BCADHN C[C@]1(NC(=O)CO)CCN(Cc2ccccc2)C1 ZINC000565145250 388917703 /nfs/dbraw/zinc/91/77/03/388917703.db2.gz HLFWOGWLMAFRMV-AWEZNQCLSA-N 0 3 248.326 0.760 20 0 BCADHN CN1CCCN(C(=O)CC(F)(F)CN)CC1 ZINC000565151345 388918225 /nfs/dbraw/zinc/91/82/25/388918225.db2.gz LNDXRBFMKNUWGL-UHFFFAOYSA-N 0 3 235.278 0.135 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCCOC2)C1 ZINC000565203537 388925789 /nfs/dbraw/zinc/92/57/89/388925789.db2.gz HYWPDBVKRMCMGK-SNVBAGLBSA-N 0 3 212.293 0.535 20 0 BCADHN CC[C@H]1CN(C)CCN1CCC(=O)NC ZINC000565299329 388936626 /nfs/dbraw/zinc/93/66/26/388936626.db2.gz BQUIKOMKLNKYOV-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN Cc1cn[nH]c1CN[C@H](CO)[C@@H]1CCCO1 ZINC000336710215 177675363 /nfs/dbraw/zinc/67/53/63/177675363.db2.gz ROCUAMGKVVAWNN-MNOVXSKESA-N 0 3 225.292 0.348 20 0 BCADHN Cc1ncc(CNC[C@@]2(C)CCC(=O)N2)n1C ZINC000565242559 388930762 /nfs/dbraw/zinc/93/07/62/388930762.db2.gz PBTNMWPNTOSYQA-GFCCVEGCSA-N 0 3 236.319 0.487 20 0 BCADHN Cc1ncc(CNC[C@@H]2CCC[C@H]2O)n1C ZINC000565241595 388931523 /nfs/dbraw/zinc/93/15/23/388931523.db2.gz GANGJFJGUCEEDK-CMPLNLGQSA-N 0 3 223.320 0.979 20 0 BCADHN C[C@H](O)CCNCc1ccc(C(=O)N(C)C)[nH]1 ZINC000565281701 388934747 /nfs/dbraw/zinc/93/47/47/388934747.db2.gz MHFMUOUJPQJMIV-VIFPVBQESA-N 0 3 239.319 0.577 20 0 BCADHN CC[C@@H](NC[C@H](C)S(C)(=O)=O)[C@@H](O)CC ZINC000564974517 388904273 /nfs/dbraw/zinc/90/42/73/388904273.db2.gz BUQVSQXXQULNBN-AEJSXWLSSA-N 0 3 237.365 0.559 20 0 BCADHN CCNC(=O)NC(=O)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000153305558 388959857 /nfs/dbraw/zinc/95/98/57/388959857.db2.gz KZVMQHVZHTVAIO-AOOOYVTPSA-N 0 3 239.319 0.564 20 0 BCADHN CN(C)c1cccc(CNCCC(N)=O)n1 ZINC000565417073 388942954 /nfs/dbraw/zinc/94/29/54/388942954.db2.gz MTLLTXQFDKVMNT-UHFFFAOYSA-N 0 3 222.292 0.113 20 0 BCADHN O=C(CC1CC[NH2+]CC1)NCc1ncccc1[O-] ZINC000565420048 388943589 /nfs/dbraw/zinc/94/35/89/388943589.db2.gz BKHACYCEIZQUJS-UHFFFAOYSA-N 0 3 249.314 0.793 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)CNC(C)C ZINC000565432436 388944656 /nfs/dbraw/zinc/94/46/56/388944656.db2.gz TYEGIEXANVUZPP-IUCAKERBSA-N 0 3 202.298 0.524 20 0 BCADHN COCC(=O)N1C[C@H](N)Cc2ccccc21 ZINC000070559343 132231366 /nfs/dbraw/zinc/23/13/66/132231366.db2.gz XURAYWQKDJQSCM-SNVBAGLBSA-N 0 3 220.272 0.549 20 0 BCADHN COCC1(NCc2cnc(C)n2C)CC1 ZINC000565551062 388954196 /nfs/dbraw/zinc/95/41/96/388954196.db2.gz VGUGRJHNWCGQEY-UHFFFAOYSA-N 0 3 209.293 0.997 20 0 BCADHN N[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 ZINC000565593030 388956049 /nfs/dbraw/zinc/95/60/49/388956049.db2.gz BLSMTIHTGFQPMH-CYBMUJFWSA-N 0 3 248.326 0.805 20 0 BCADHN C[C@H](CNC(CO)CO)C(F)(F)F ZINC000565843099 388974070 /nfs/dbraw/zinc/97/40/70/388974070.db2.gz XZXUDFKZUPFPKZ-RXMQYKEDSA-N 0 3 201.188 0.128 20 0 BCADHN C[C@H](CNC[C@H]1CCCN1C)S(C)(=O)=O ZINC000565945885 388980463 /nfs/dbraw/zinc/98/04/63/388980463.db2.gz BOTMWRCKHSTYED-NXEZZACHSA-N 0 3 234.365 0.103 20 0 BCADHN Cc1ncc(CNC[C@@H](C)CCO)n1C ZINC000566021071 388982641 /nfs/dbraw/zinc/98/26/41/388982641.db2.gz MLCFCIMLAONBEJ-VIFPVBQESA-N 0 3 211.309 0.837 20 0 BCADHN COCCOc1ccc(CNC[C@H](C)O)cn1 ZINC000566105744 388987862 /nfs/dbraw/zinc/98/78/62/388987862.db2.gz URHWBFSVSZTDMM-JTQLQIEISA-N 0 3 240.303 0.577 20 0 BCADHN C[C@H](CN[C@@H]1CCO[C@@H]1C1CC1)S(C)(=O)=O ZINC000566111247 388988717 /nfs/dbraw/zinc/98/87/17/388988717.db2.gz CEIQJVAGXSYPMG-FBIMIBRVSA-N 0 3 247.360 0.577 20 0 BCADHN C[C@H](CC(N)=O)NC[C@H](O)c1ccsc1 ZINC000267214587 388999929 /nfs/dbraw/zinc/99/99/29/388999929.db2.gz HZFIAMUKGKDKTI-APPZFPTMSA-N 0 3 228.317 0.635 20 0 BCADHN CCC[C@](C)(N)C(=O)NCc1[nH]cnc1C ZINC000269239220 389008498 /nfs/dbraw/zinc/00/84/98/389008498.db2.gz AOFJTNXSQRCTGZ-NSHDSACASA-N 0 3 224.308 0.852 20 0 BCADHN COC(=O)CCN(C)CCc1cnccn1 ZINC000271292883 389017864 /nfs/dbraw/zinc/01/78/64/389017864.db2.gz COYFIYGCMWRWAX-UHFFFAOYSA-N 0 3 223.276 0.514 20 0 BCADHN C[C@@H](N[C@@H](C)CC(=O)N(C)C)c1cn[nH]c1 ZINC000271406965 389019269 /nfs/dbraw/zinc/01/92/69/389019269.db2.gz ACWUQMADKZBLID-DTWKUNHWSA-N 0 3 224.308 0.927 20 0 BCADHN CN1CC=C(CNC(=O)c2cc[nH]c(=O)c2)CC1 ZINC000271790954 389026430 /nfs/dbraw/zinc/02/64/30/389026430.db2.gz CLYMLAXNNCWEHK-UHFFFAOYSA-N 0 3 247.298 0.779 20 0 BCADHN C[C@H](NCCn1ccnc1)c1cn[nH]c1 ZINC000275155891 389053075 /nfs/dbraw/zinc/05/30/75/389053075.db2.gz HQBWTIHCUMUXEJ-VIFPVBQESA-N 0 3 205.265 0.957 20 0 BCADHN Cc1ccc(O)c(CN[C@]2(CO)CCOC2)n1 ZINC000273350774 389038791 /nfs/dbraw/zinc/03/87/91/389038791.db2.gz AZLLFCCPWKRJSO-LBPRGKRZSA-N 0 3 238.287 0.337 20 0 BCADHN CCSCCNC[C@H](O)c1cnn(C)c1 ZINC000273799714 389044962 /nfs/dbraw/zinc/04/49/62/389044962.db2.gz VLPQLNHCVKVGGO-JTQLQIEISA-N 0 3 229.349 0.796 20 0 BCADHN COc1cc(OC)nc(N2CCN[C@H](C)C2)n1 ZINC000083366031 132311440 /nfs/dbraw/zinc/31/14/40/132311440.db2.gz NWIYTYXSXFJRST-MRVPVSSYSA-N 0 3 238.291 0.292 20 0 BCADHN CC[N@H+](CC(=O)Nc1nnc[n-]1)C1CC1 ZINC000135948393 169725047 /nfs/dbraw/zinc/72/50/47/169725047.db2.gz IBCPQAZKCXLCOW-UHFFFAOYSA-N 0 3 209.253 0.228 20 0 BCADHN CC[N@@H+](CC(=O)Nc1nnc[n-]1)C1CC1 ZINC000135948393 169725048 /nfs/dbraw/zinc/72/50/48/169725048.db2.gz IBCPQAZKCXLCOW-UHFFFAOYSA-N 0 3 209.253 0.228 20 0 BCADHN COC[C@@H](O)CN1CC(C)(C)OC[C@@H]1C ZINC000488169133 533362253 /nfs/dbraw/zinc/36/22/53/533362253.db2.gz YYKHZWXYSITPGR-UWVGGRQHSA-N 0 3 217.309 0.493 20 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134320599 /nfs/dbraw/zinc/32/05/99/134320599.db2.gz QTAHQRMHXQATBL-RKDXNWHRSA-N 0 3 222.292 0.496 20 0 BCADHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cnc[nH]1 ZINC000179434882 134320600 /nfs/dbraw/zinc/32/06/00/134320600.db2.gz QTAHQRMHXQATBL-RKDXNWHRSA-N 0 3 222.292 0.496 20 0 BCADHN CNC(=O)CC1CCN(Cc2cnc[nH]2)CC1 ZINC000179846521 134324248 /nfs/dbraw/zinc/32/42/48/134324248.db2.gz BPOXJBUIPQOKHE-UHFFFAOYSA-N 0 3 236.319 0.758 20 0 BCADHN CO[C@H](C)[C@@H](C)NC[C@@H](O)C(F)(F)F ZINC000222631114 134333711 /nfs/dbraw/zinc/33/37/11/134333711.db2.gz AUNASWRLFWRGOM-FSDSQADBSA-N 0 3 215.215 0.923 20 0 BCADHN CO[C@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000223728373 134339112 /nfs/dbraw/zinc/33/91/12/134339112.db2.gz SWIVETAUORGWMF-HTQZYQBOSA-N 0 3 202.298 0.511 20 0 BCADHN COC[C@@H](O)CN1CCS[C@@H]2COCC[C@@H]21 ZINC000182485122 134345664 /nfs/dbraw/zinc/34/56/64/134345664.db2.gz XANXWGQIYWMOEE-GARJFASQSA-N 0 3 247.360 0.200 20 0 BCADHN COC(=O)CCNC(=O)CN(C(C)C)C(C)C ZINC000183052537 134350664 /nfs/dbraw/zinc/35/06/64/134350664.db2.gz MTABHSUTKFSWML-UHFFFAOYSA-N 0 3 244.335 0.785 20 0 BCADHN CCCCCN(CCCNC(C)=O)CC(N)=O ZINC000183044540 134350783 /nfs/dbraw/zinc/35/07/83/134350783.db2.gz HDKDLZKICKEMEM-UHFFFAOYSA-N 0 3 243.351 0.490 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000225392227 134354797 /nfs/dbraw/zinc/35/47/97/134354797.db2.gz ZCCUNUXQYVLUOQ-PHDIDXHHSA-N 0 3 228.214 0.009 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000183977249 134355857 /nfs/dbraw/zinc/35/58/57/134355857.db2.gz NHWTXZPIPHFTBC-VXGBXAGGSA-N 0 3 240.347 0.463 20 0 BCADHN CCOC[C@H](O)CN1CCCO[C@@H](C)C1 ZINC000225858637 134356234 /nfs/dbraw/zinc/35/62/34/134356234.db2.gz NFELWJAYAVTQRR-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN C[C@H](O)C1CCN(CCN2CCOCC2)CC1 ZINC000225781046 134357238 /nfs/dbraw/zinc/35/72/38/134357238.db2.gz YVLYAMARXJVSDP-LBPRGKRZSA-N 0 3 242.363 0.411 20 0 BCADHN COC[C@@H]1CCN([C@@H](C(=O)OC)C2CC2)C1 ZINC000226499173 134364098 /nfs/dbraw/zinc/36/40/98/134364098.db2.gz CPMMTODKYYZQMX-MWLCHTKSSA-N 0 3 227.304 0.906 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000226696851 134368483 /nfs/dbraw/zinc/36/84/83/134368483.db2.gz PZUHJNRQMDCMSO-WCBMZHEXSA-N 0 3 224.308 0.960 20 0 BCADHN OCCCCCN1CCO[C@@]2(CCOC2)C1 ZINC000185136948 134371718 /nfs/dbraw/zinc/37/17/18/134371718.db2.gz GONMZTPBKBKKRY-LBPRGKRZSA-N 0 3 229.320 0.640 20 0 BCADHN Cn1nccc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000185399047 134377439 /nfs/dbraw/zinc/37/74/39/134377439.db2.gz GHXYMISGZMHPJD-SNVBAGLBSA-N 0 3 249.318 0.732 20 0 BCADHN CCCCN(CC)C(=O)[C@H](CN)OC ZINC000227344162 134377860 /nfs/dbraw/zinc/37/78/60/134377860.db2.gz UWGLMNLSGPRNRL-VIFPVBQESA-N 0 3 202.298 0.609 20 0 BCADHN CCC[C@@H](C)N(C)C(=O)[C@@H](CN)OC ZINC000227350155 134378526 /nfs/dbraw/zinc/37/85/26/134378526.db2.gz YWKTVTRNMWBVAR-RKDXNWHRSA-N 0 3 202.298 0.607 20 0 BCADHN C[C@@H](O)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000408070614 134386378 /nfs/dbraw/zinc/38/63/78/134386378.db2.gz KCODXIJPSMOFKE-KXUCPTDWSA-N 0 3 214.309 0.356 20 0 BCADHN NC(=O)CC[C@H]1CCCN([C@@H]2CCOC2)C1 ZINC000408079233 134388602 /nfs/dbraw/zinc/38/86/02/134388602.db2.gz IJUHIFAMVGHIOJ-GHMZBOCLSA-N 0 3 226.320 0.753 20 0 BCADHN C[C@@]1(C(N)=O)CCCCN1CCCO ZINC000185924305 134397376 /nfs/dbraw/zinc/39/73/76/134397376.db2.gz ZPSKYCJPASYYCD-JTQLQIEISA-N 0 3 200.282 0.099 20 0 BCADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCn1cncn1 ZINC000408122794 134397423 /nfs/dbraw/zinc/39/74/23/134397423.db2.gz ATEDJFVADSABIW-JGPRNRPPSA-N 0 3 224.308 0.512 20 0 BCADHN C[C@H](O)C[C@H](C)NCc1cnc(N(C)C)n1C ZINC000228065500 134401897 /nfs/dbraw/zinc/40/18/97/134401897.db2.gz VRGAWYRNZWVGPS-UWVGGRQHSA-N 0 3 240.351 0.735 20 0 BCADHN COC[C@H](O)CCNCc1cncn1C(C)C ZINC000230143039 134481560 /nfs/dbraw/zinc/48/15/60/134481560.db2.gz RKVHIKRHWNHTHG-GFCCVEGCSA-N 0 3 241.335 0.951 20 0 BCADHN CC[C@H](N[C@@]1(C)CCO[C@@H]1C)C(N)=O ZINC000234044395 134572150 /nfs/dbraw/zinc/57/21/50/134572150.db2.gz PDJJDPASXRNZFR-WEDXCCLWSA-N 0 3 200.282 0.407 20 0 BCADHN CCC(C)(C)NC(=O)CN[C@H](CO)C(C)C ZINC000086123536 134589595 /nfs/dbraw/zinc/58/95/95/134589595.db2.gz IIPRMBFBRCKHGN-SNVBAGLBSA-N 0 3 230.352 0.898 20 0 BCADHN CCO[C@@H]1C[C@@H](O)C12CCN(C[C@@H](C)O)CC2 ZINC000192985382 134591015 /nfs/dbraw/zinc/59/10/15/134591015.db2.gz BTIWTLVOCXNTJR-IJLUTSLNSA-N 0 3 243.347 0.619 20 0 BCADHN CCC[C@](C)(O)CN[C@H]1CCCS(=O)(=O)C1 ZINC000132168310 134643822 /nfs/dbraw/zinc/64/38/22/134643822.db2.gz BKPNXDXVOAASOU-QWRGUYRKSA-N 0 3 249.376 0.704 20 0 BCADHN OCCN(CCO[C@@H]1CCCCO1)C1CC1 ZINC000050104118 134651070 /nfs/dbraw/zinc/65/10/70/134651070.db2.gz QMULERZBMKKEIB-GFCCVEGCSA-N 0 3 229.320 0.986 20 0 BCADHN CC[C@@H](O)CCNC(=O)C[C@H]1CSCCN1 ZINC000158708034 134746439 /nfs/dbraw/zinc/74/64/39/134746439.db2.gz KGYFVJJOCJQYOE-VHSXEESVSA-N 0 3 246.376 0.359 20 0 BCADHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)NCC1CC1 ZINC000236391505 134828595 /nfs/dbraw/zinc/82/85/95/134828595.db2.gz JHOMFSIHUUGCOQ-WCQYABFASA-N 0 3 238.331 0.670 20 0 BCADHN CCN(C)C(=O)CN[C@H](C)[C@@H](C)OC ZINC000229586507 134832116 /nfs/dbraw/zinc/83/21/16/134832116.db2.gz HJFQFFCHVZYQGL-RKDXNWHRSA-N 0 3 202.298 0.478 20 0 BCADHN C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@H](C)CN1 ZINC000237387930 134845631 /nfs/dbraw/zinc/84/56/31/134845631.db2.gz LSHHCXPPHXCEEG-RKDXNWHRSA-N 0 3 248.330 0.721 20 0 BCADHN C[C@H](CO)CNCc1cccc(C(N)=O)c1 ZINC000082394495 134963374 /nfs/dbraw/zinc/96/33/74/134963374.db2.gz MIEJGTJYJIVNNT-VIFPVBQESA-N 0 3 222.288 0.504 20 0 BCADHN Cn1cc(NC(=O)NC2CCN(C)CC2)cn1 ZINC000076073484 135000395 /nfs/dbraw/zinc/00/03/95/135000395.db2.gz MPYOEJYOWYCWKX-UHFFFAOYSA-N 0 3 237.307 0.636 20 0 BCADHN COC(=O)[C@@H]1CCCN(C[C@H](C)OC)C1 ZINC000248416627 135008177 /nfs/dbraw/zinc/00/81/77/135008177.db2.gz IYCKIRGABICMRL-VHSXEESVSA-N 0 3 215.293 0.906 20 0 BCADHN C[C@@H]1CCCN1CC(=O)NC1CCOCC1 ZINC000076117525 135011454 /nfs/dbraw/zinc/01/14/54/135011454.db2.gz UXGSVJGNTMHPQZ-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CCN(C[C@H](O)C(F)(F)F)[C@H]1CO ZINC000248978024 135028727 /nfs/dbraw/zinc/02/87/27/135028727.db2.gz USQDKWMOENRGGT-CSMHCCOUSA-N 0 3 227.226 0.612 20 0 BCADHN C[C@@H]1CN(CCN2CCC[C@@H](O)C2)CCO1 ZINC000248998317 135029432 /nfs/dbraw/zinc/02/94/32/135029432.db2.gz HBCBALPGEFIRSQ-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@@H]1COCCN1CCN1CCCO[C@H](C)C1 ZINC000249509868 135039692 /nfs/dbraw/zinc/03/96/92/135039692.db2.gz IBYCNEGLYCRQNR-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cc[nH]n1 ZINC000249555945 135040897 /nfs/dbraw/zinc/04/08/97/135040897.db2.gz LXEJNSNQOOTUDJ-QATXWYEKSA-N 0 3 219.288 0.611 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CCCN(CC)C1 ZINC000249614899 135041966 /nfs/dbraw/zinc/04/19/66/135041966.db2.gz SRCSQMGRXBSMRJ-SDDRHHMPSA-N 0 3 241.379 0.960 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@H]1CCCO1 ZINC000249762767 135044530 /nfs/dbraw/zinc/04/45/30/135044530.db2.gz YIVCNIDVESJBTD-ZJUUUORDSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@@H](CNC(=O)c1cccc(=O)[nH]1)N(C)C ZINC000235185387 135045711 /nfs/dbraw/zinc/04/57/11/135045711.db2.gz QOXCIXUJTRXAJR-QMMMGPOBSA-N 0 3 223.276 0.055 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](C)CC1 ZINC000249822269 135046629 /nfs/dbraw/zinc/04/66/29/135046629.db2.gz HGPTXQRMLVRPNA-VHSXEESVSA-N 0 3 241.335 0.953 20 0 BCADHN CC1(C)CCCN1CC(=O)NC(=O)NC1CC1 ZINC000077382730 135063256 /nfs/dbraw/zinc/06/32/56/135063256.db2.gz ARTGBTBSLOAJFC-UHFFFAOYSA-N 0 3 239.319 0.849 20 0 BCADHN c1c[nH]c(CNCCCOC[C@H]2CCOC2)n1 ZINC000077447324 135066948 /nfs/dbraw/zinc/06/69/48/135066948.db2.gz AEWKDNZXLJIEED-LLVKDONJSA-N 0 3 239.319 0.943 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)CCCO ZINC000251779472 135078129 /nfs/dbraw/zinc/07/81/29/135078129.db2.gz IYNBWKNRNPSADW-IVZWLZJFSA-N 0 3 216.325 0.637 20 0 BCADHN C[C@@H]1CC[C@H](NC(=O)C(=O)NCCN)C[C@H]1C ZINC000251890928 135080559 /nfs/dbraw/zinc/08/05/59/135080559.db2.gz RTTYSDDFIYEQIN-BBBLOLIVSA-N 0 3 241.335 0.002 20 0 BCADHN COC(=O)[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1C ZINC000251942827 135081333 /nfs/dbraw/zinc/08/13/33/135081333.db2.gz ZSFSZOAUPQIGMZ-OPRDCNLKSA-N 0 3 242.319 0.204 20 0 BCADHN C[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCN)[C@H]1C ZINC000252436593 135089244 /nfs/dbraw/zinc/08/92/44/135089244.db2.gz QALBCHXIRJESMO-KXUCPTDWSA-N 0 3 241.335 0.002 20 0 BCADHN COC(=O)C(C)(C)CN[C@@H]1CCCNC1=O ZINC000086594225 135090950 /nfs/dbraw/zinc/09/09/50/135090950.db2.gz SUPAFFWHBGLZLF-MRVPVSSYSA-N 0 3 228.292 0.054 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000251801940 135094446 /nfs/dbraw/zinc/09/44/46/135094446.db2.gz GIIVLQQOIGBZLR-GMTAPVOTSA-N 0 3 248.392 0.492 20 0 BCADHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000252663363 135094428 /nfs/dbraw/zinc/09/44/28/135094428.db2.gz FRRBKDBBEOTBMI-IJLUTSLNSA-N 0 3 240.347 0.868 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@H]2CCCO2)C1 ZINC000252674650 135095218 /nfs/dbraw/zinc/09/52/18/135095218.db2.gz TWLVVYOKWKYSKJ-NXEZZACHSA-N 0 3 213.277 0.660 20 0 BCADHN O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn[n-]1 ZINC000252674838 135095880 /nfs/dbraw/zinc/09/58/80/135095880.db2.gz UOKKTTNDAMNVOA-BDAKNGLRSA-N 0 3 235.291 0.161 20 0 BCADHN O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cnn[n-]1 ZINC000252674838 135095881 /nfs/dbraw/zinc/09/58/81/135095881.db2.gz UOKKTTNDAMNVOA-BDAKNGLRSA-N 0 3 235.291 0.161 20 0 BCADHN O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[n-]nn1 ZINC000252674838 135095882 /nfs/dbraw/zinc/09/58/82/135095882.db2.gz UOKKTTNDAMNVOA-BDAKNGLRSA-N 0 3 235.291 0.161 20 0 BCADHN O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1c[n-]nn1 ZINC000252674838 135095883 /nfs/dbraw/zinc/09/58/83/135095883.db2.gz UOKKTTNDAMNVOA-BDAKNGLRSA-N 0 3 235.291 0.161 20 0 BCADHN O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cn[n-]n1 ZINC000252674838 135095884 /nfs/dbraw/zinc/09/58/84/135095884.db2.gz UOKKTTNDAMNVOA-BDAKNGLRSA-N 0 3 235.291 0.161 20 0 BCADHN O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cn[n-]n1 ZINC000252674838 135095885 /nfs/dbraw/zinc/09/58/85/135095885.db2.gz UOKKTTNDAMNVOA-BDAKNGLRSA-N 0 3 235.291 0.161 20 0 BCADHN CNC(=O)CN[C@H]1CC(C)(C)OC1(C)C ZINC000086927107 135101967 /nfs/dbraw/zinc/10/19/67/135101967.db2.gz AROUUYJPIGXFRQ-QMMMGPOBSA-N 0 3 214.309 0.668 20 0 BCADHN CN([C@H]1CCN(C)C1=O)[C@H]1CCCC[C@H]1O ZINC000252726205 135102530 /nfs/dbraw/zinc/10/25/30/135102530.db2.gz PYWSCHYBFKRHBK-GARJFASQSA-N 0 3 226.320 0.452 20 0 BCADHN C[C@H](C[C@H](C)O)N[C@H]1CCCS(=O)(=O)C1 ZINC000252762009 135107332 /nfs/dbraw/zinc/10/73/32/135107332.db2.gz NFZDLQXZLUKSAO-UTLUCORTSA-N 0 3 235.349 0.313 20 0 BCADHN C[C@@H]1CN(C(=O)COC2CNC2)C[C@H]1C ZINC000261532342 135109020 /nfs/dbraw/zinc/10/90/20/135109020.db2.gz AGRCAAMKFAIKRC-RKDXNWHRSA-N 0 3 212.293 0.089 20 0 BCADHN O[C@@H](CN1C[C@@H]2[C@H](O)CC[C@@H]2C1)C(F)(F)F ZINC000252842057 135112582 /nfs/dbraw/zinc/11/25/82/135112582.db2.gz ATWIGQFBWAWAJM-XAVMHZPKSA-N 0 3 239.237 0.612 20 0 BCADHN C[C@@]1(CNC(=O)[C@@H]2CCCCN2)CCCO1 ZINC000087254051 135115654 /nfs/dbraw/zinc/11/56/54/135115654.db2.gz SWCTXGVKTXSVRF-JQWIXIFHSA-N 0 3 226.320 0.814 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@]1(C)CCCO1 ZINC000087254003 135115858 /nfs/dbraw/zinc/11/58/58/135115858.db2.gz LDGBTSWSSKQIFX-MWLCHTKSSA-N 0 3 214.309 0.655 20 0 BCADHN NC1(C(=O)N2CCN(C3CCC3)CC2)CCC1 ZINC000262215078 135116987 /nfs/dbraw/zinc/11/69/87/135116987.db2.gz LYOPTCCTLOKUQV-UHFFFAOYSA-N 0 3 237.347 0.565 20 0 BCADHN C[C@@H](N)C(=O)NCCCN1CCCCCC1=O ZINC000262232849 135116995 /nfs/dbraw/zinc/11/69/95/135116995.db2.gz OYRUBLIUUQYMDL-SNVBAGLBSA-N 0 3 241.335 0.243 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@@H](C)[C@H](C)CO ZINC000252943178 135117367 /nfs/dbraw/zinc/11/73/67/135117367.db2.gz KJPLQTTUJDZNDT-UTLUCORTSA-N 0 3 216.325 0.508 20 0 BCADHN CO[C@H](C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252951244 135117384 /nfs/dbraw/zinc/11/73/84/135117384.db2.gz DVUPBDMNYHBKNG-OUAUKWLOSA-N 0 3 242.319 0.001 20 0 BCADHN CNC(=O)CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253097430 135120984 /nfs/dbraw/zinc/12/09/84/135120984.db2.gz RQMZMQFIQNXVOF-IJLUTSLNSA-N 0 3 240.347 0.748 20 0 BCADHN CCOC[C@@H](O)CN(C)CC[C@H](C)O ZINC000253202827 135124870 /nfs/dbraw/zinc/12/48/70/135124870.db2.gz ZERDVPRMBUCUDV-UWVGGRQHSA-N 0 3 205.298 0.087 20 0 BCADHN CCCCN1CCCN(CC(=O)N(C)C)CC1 ZINC000078455323 135125078 /nfs/dbraw/zinc/12/50/78/135125078.db2.gz AORCHOXUTMLANA-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CC[C@@H](CCO)CNC(=O)[C@@H](N)CC(C)C ZINC000087370349 135127276 /nfs/dbraw/zinc/12/72/76/135127276.db2.gz JPYGAJJOZDPYKL-QWRGUYRKSA-N 0 3 230.352 0.885 20 0 BCADHN C[C@H](N)C(=O)N(C)CCOCC1CC1 ZINC000087399597 135129735 /nfs/dbraw/zinc/12/97/35/135129735.db2.gz KIGGUUPHRWGUML-QMMMGPOBSA-N 0 3 200.282 0.219 20 0 BCADHN CN(C)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000258497774 135132890 /nfs/dbraw/zinc/13/28/90/135132890.db2.gz DAGNJKPYVHQVJZ-JTQLQIEISA-N 0 3 210.252 0.956 20 0 BCADHN CC(C)[C@H](CO)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000258703606 135133404 /nfs/dbraw/zinc/13/34/04/135133404.db2.gz GOTYNWFJLFBZTQ-NEPJUHHUSA-N 0 3 242.363 0.804 20 0 BCADHN COC(=O)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000259765088 135144729 /nfs/dbraw/zinc/14/47/29/135144729.db2.gz GCVSVZAFARDHJP-VHSXEESVSA-N 0 3 240.303 0.102 20 0 BCADHN COC(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000259765085 135144767 /nfs/dbraw/zinc/14/47/67/135144767.db2.gz GCVSVZAFARDHJP-UWVGGRQHSA-N 0 3 240.303 0.102 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)C1CCN(C)CC1 ZINC000259943251 135145382 /nfs/dbraw/zinc/14/53/82/135145382.db2.gz KVDJAODUIFUBAO-MRVPVSSYSA-N 0 3 228.292 0.006 20 0 BCADHN COC(=O)CN1CCN(C)C[C@H]1C(C)C ZINC000261086035 135149407 /nfs/dbraw/zinc/14/94/07/135149407.db2.gz TZXQOJMTAWGWCR-JTQLQIEISA-N 0 3 214.309 0.431 20 0 BCADHN COC(=O)C1CCN(CC2(C)COC2)CC1 ZINC000261023469 135149571 /nfs/dbraw/zinc/14/95/71/135149571.db2.gz YSAZWNGKRFAGNJ-UHFFFAOYSA-N 0 3 227.304 0.908 20 0 BCADHN CCN(CC(=O)N(CC)CC)CC(C)(C)O ZINC000078747428 135150429 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/nfs/dbraw/zinc/30/87/59/135308759.db2.gz XHMFACHOQWVCIA-VHSXEESVSA-N 0 3 242.319 0.525 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N(C)C1CCCC1 ZINC000342736883 135309140 /nfs/dbraw/zinc/30/91/40/135309140.db2.gz QYHTWSSIYFZEAD-SNVBAGLBSA-N 0 3 242.319 0.668 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1C(=O)CNCCOC ZINC000262629586 135309163 /nfs/dbraw/zinc/30/91/63/135309163.db2.gz KHVJDZPEVNRJTQ-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CCC(CC)(CC(=O)OC)NC(=O)CNC ZINC000262632695 135310218 /nfs/dbraw/zinc/31/02/18/135310218.db2.gz NOHJHHFOBKZBDM-UHFFFAOYSA-N 0 3 230.308 0.444 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N1CCCC[C@H]1C ZINC000342751406 135311009 /nfs/dbraw/zinc/31/10/09/135311009.db2.gz MRUSROHXPPQPGD-NXEZZACHSA-N 0 3 242.319 0.668 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N1CCC[C@@H]1C ZINC000342746820 135311044 /nfs/dbraw/zinc/31/10/44/135311044.db2.gz GNAJVCBIEVRSFU-DTWKUNHWSA-N 0 3 228.292 0.278 20 0 BCADHN CCN(CC1CC1)C(=O)[C@@H](N)CCC(=O)OC ZINC000342747563 135311166 /nfs/dbraw/zinc/31/11/66/135311166.db2.gz GWTPTCQDAYRKKQ-JTQLQIEISA-N 0 3 242.319 0.525 20 0 BCADHN CCC(C)(C)NC(=O)[C@H](N)CCC(=O)OC ZINC000342753273 135312300 /nfs/dbraw/zinc/31/23/00/135312300.db2.gz PWRMCCQLSNNPMI-MRVPVSSYSA-N 0 3 230.308 0.572 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N(C)CC(C)(C)C ZINC000342754613 135312319 /nfs/dbraw/zinc/31/23/19/135312319.db2.gz SJGNTHQRKXHRQV-VIFPVBQESA-N 0 3 244.335 0.771 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N1CCC(C)CC1 ZINC000342716248 135314113 /nfs/dbraw/zinc/31/41/13/135314113.db2.gz BMJLKGHPIISWAC-SNVBAGLBSA-N 0 3 242.319 0.525 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N[C@H](C)C(C)C ZINC000342715536 135314208 /nfs/dbraw/zinc/31/42/08/135314208.db2.gz BJNAEWFAWZUPLK-BDAKNGLRSA-N 0 3 230.308 0.428 20 0 BCADHN CC[C@H]1CCCN1C(=O)[C@H](N)CCC(=O)OC ZINC000342723146 135314697 /nfs/dbraw/zinc/31/46/97/135314697.db2.gz COCRYNIJYKTDKQ-VHSXEESVSA-N 0 3 242.319 0.668 20 0 BCADHN CC1(C)[C@H](NC(=O)C2(N)CC2)[C@H]2CCO[C@H]21 ZINC000262701061 135314739 /nfs/dbraw/zinc/31/47/39/135314739.db2.gz ICRRUAFBOTXJBB-IWSPIJDZSA-N 0 3 224.304 0.407 20 0 BCADHN NCC(F)(F)CNC(=O)[C@H](N)c1ccccc1 ZINC000262721348 135315507 /nfs/dbraw/zinc/31/55/07/135315507.db2.gz VPPHCIKBPZLCMV-SECBINFHSA-N 0 3 243.257 0.397 20 0 BCADHN C[C@H]1NCCN(C(=O)[C@@H]2CSC(=O)N2)[C@H]1C ZINC000262719702 135315644 /nfs/dbraw/zinc/31/56/44/135315644.db2.gz FKILFXAFXSBTQF-CSMHCCOUSA-N 0 3 243.332 0.020 20 0 BCADHN Cc1c(C(=O)N2CCN[C@@H](C)[C@@H]2C)cnn1C ZINC000262737641 135316369 /nfs/dbraw/zinc/31/63/69/135316369.db2.gz CYDNDNIHFXUJEU-IUCAKERBSA-N 0 3 236.319 0.551 20 0 BCADHN CNCC(=O)N[C@@H]1CCO[C@H](CC(C)C)C1 ZINC000262761079 135317322 /nfs/dbraw/zinc/31/73/22/135317322.db2.gz RNJMYZFTVFKBSR-GHMZBOCLSA-N 0 3 228.336 0.916 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1CCOC1 ZINC000334170909 135318436 /nfs/dbraw/zinc/31/84/36/135318436.db2.gz BICSTGKRNHFUAW-UWVGGRQHSA-N 0 3 224.304 0.376 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cnn(C)c2)[C@@H]1C ZINC000262804413 135319052 /nfs/dbraw/zinc/31/90/52/135319052.db2.gz PWWPFAXYVOVQJF-RKDXNWHRSA-N 0 3 222.292 0.243 20 0 BCADHN C[C@H]1NCCN(C(=O)COCC2CC2)[C@H]1C ZINC000262821572 135320043 /nfs/dbraw/zinc/32/00/43/135320043.db2.gz SOZMNZFKGYBVNO-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN COCCNC(=O)N1CCN2CCC1CC2 ZINC000334166126 135323463 /nfs/dbraw/zinc/32/34/63/135323463.db2.gz AGZQGZFJFFYKAU-UHFFFAOYSA-N 0 3 227.308 0.122 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000342756855 135325706 /nfs/dbraw/zinc/32/57/06/135325706.db2.gz TUKKRZSTZVASHA-OUAUKWLOSA-N 0 3 226.320 0.609 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@H]1CCCO1 ZINC000342912560 135333981 /nfs/dbraw/zinc/33/39/81/135333981.db2.gz QMSSSKGQLBWFCB-NXEZZACHSA-N 0 3 229.324 0.415 20 0 BCADHN CC[C@@H](CO)NC(=O)NCCN(C)C1CC1 ZINC000342966697 135345281 /nfs/dbraw/zinc/34/52/81/135345281.db2.gz REGVMGLJVZHEND-VIFPVBQESA-N 0 3 229.324 0.151 20 0 BCADHN CC[C@@H](CO)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000342966896 135345589 /nfs/dbraw/zinc/34/55/89/135345589.db2.gz SDVWZCNALFRYFF-UWVGGRQHSA-N 0 3 241.335 0.293 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000263317204 135346357 /nfs/dbraw/zinc/34/63/57/135346357.db2.gz ZQTYMGKLOGIAFL-QMMMGPOBSA-N 0 3 235.278 0.052 20 0 BCADHN C[C@H]1CN([C@@H]2CCCNC2=O)CCCO1 ZINC000334306276 135349116 /nfs/dbraw/zinc/34/91/16/135349116.db2.gz CVHKSRVHOFXEON-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@H]1CCOC1 ZINC000343064161 135355396 /nfs/dbraw/zinc/35/53/96/135355396.db2.gz XUOPBHIRIPQKLG-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@@H]1COCCO1 ZINC000343064341 135355416 /nfs/dbraw/zinc/35/54/16/135355416.db2.gz ZHLUCGNXBJJEIP-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN CNC(=O)CCN(C)[C@@H](CO)c1ccccc1 ZINC000343121111 135358418 /nfs/dbraw/zinc/35/84/18/135358418.db2.gz RVAOGBWOISTWJJ-LBPRGKRZSA-N 0 3 236.315 0.788 20 0 BCADHN C[C@H](C[S@](C)=O)NC(=O)[C@@H]1CN(C)C[C@@H]1C ZINC000343104535 135362834 /nfs/dbraw/zinc/36/28/34/135362834.db2.gz PSJOVCOPMZCRDE-PIAUOXEZSA-N 0 3 246.376 0.067 20 0 BCADHN C[C@@H]1[C@H](C)N(CCc2ccnn2C)CCN1C ZINC000334347242 135367256 /nfs/dbraw/zinc/36/72/56/135367256.db2.gz RCBAAQDNKXUVCR-NEPJUHHUSA-N 0 3 236.363 0.987 20 0 BCADHN CN(C)[C@@]1(CNC(=O)N2CCC2)CCSC1 ZINC000334348888 135368168 /nfs/dbraw/zinc/36/81/68/135368168.db2.gz UDXXEVGRNGWCKJ-LLVKDONJSA-N 0 3 243.376 0.839 20 0 BCADHN CCN1C[C@H](C)N(C(=O)CN(C)C)C[C@H]1C ZINC000334358944 135371099 /nfs/dbraw/zinc/37/10/99/135371099.db2.gz UTWIXYQEBOADHH-MNOVXSKESA-N 0 3 227.352 0.489 20 0 BCADHN Cn1nccc1CN1CCN(C)CC1(C)C ZINC000334359411 135372126 /nfs/dbraw/zinc/37/21/26/135372126.db2.gz WABBNWZFVKUWHF-UHFFFAOYSA-N 0 3 222.336 0.946 20 0 BCADHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)CO ZINC000334371273 135375114 /nfs/dbraw/zinc/37/51/14/135375114.db2.gz WXVGVJXGLHBADN-NXEZZACHSA-N 0 3 212.293 0.064 20 0 BCADHN CC(C(=O)N1CC[C@@H](C2CC2)C1)S(C)(=O)=O ZINC000334379123 135377809 /nfs/dbraw/zinc/37/78/09/135377809.db2.gz YIRQKZDQVPPCQH-WCBMZHEXSA-N 0 3 245.344 0.678 20 0 BCADHN CC(C(=O)N1CC[C@H](C2CC2)C1)S(C)(=O)=O ZINC000334379122 135377814 /nfs/dbraw/zinc/37/78/14/135377814.db2.gz YIRQKZDQVPPCQH-SCZZXKLOSA-N 0 3 245.344 0.678 20 0 BCADHN Cn1nccc1CCN1C[C@H](O)C2(CC2)C1 ZINC000334384820 135380947 /nfs/dbraw/zinc/38/09/47/135380947.db2.gz ITGSUFPHWLDOGQ-NSHDSACASA-N 0 3 221.304 0.419 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCCN(C)CC1)N(C)C ZINC000334381978 135381422 /nfs/dbraw/zinc/38/14/22/135381422.db2.gz KBAGYQMDCUQXAE-LBPRGKRZSA-N 0 3 241.379 0.737 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCOC2)C[C@H](CO)O1 ZINC000299914221 135382353 /nfs/dbraw/zinc/38/23/53/135382353.db2.gz PYJCVKPLBQGCBO-OUAUKWLOSA-N 0 3 215.293 0.105 20 0 BCADHN CN(C)C(=O)CN(C)C(=O)[C@@H]1CCCCCN1 ZINC000080993817 135385058 /nfs/dbraw/zinc/38/50/58/135385058.db2.gz NZCSVQIHMXSPOR-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CC(C)NC(=O)CNC(=O)[C@H]1CCCCCN1 ZINC000080993887 135385169 /nfs/dbraw/zinc/38/51/69/135385169.db2.gz GSNJMMIMZKVKGJ-SNVBAGLBSA-N 0 3 241.335 0.159 20 0 BCADHN N[C@@H](C(=O)N1CCSCC1)C1CCC1 ZINC000307235451 135386180 /nfs/dbraw/zinc/38/61/80/135386180.db2.gz SXAIXRKDLMEPQI-SECBINFHSA-N 0 3 214.334 0.689 20 0 BCADHN CCCNC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)NC ZINC000081579448 135387634 /nfs/dbraw/zinc/38/76/34/135387634.db2.gz BBBHRIAXJKGPNN-NXEZZACHSA-N 0 3 243.351 0.215 20 0 BCADHN CC(C)OC(=O)CCN[C@H](C(N)=O)C(C)(C)C ZINC000081606636 135387644 /nfs/dbraw/zinc/38/76/44/135387644.db2.gz ZWTQDHCPVDZMRZ-SNVBAGLBSA-N 0 3 244.335 0.818 20 0 BCADHN Cc1noc([C@@H]2CCCN(CCO)C2)n1 ZINC000081667178 135388512 /nfs/dbraw/zinc/38/85/12/135388512.db2.gz UPQXAFZMTJUSEL-SECBINFHSA-N 0 3 211.265 0.550 20 0 BCADHN CCOC(=O)CCCN[C@H](C(N)=O)C(C)(C)C ZINC000081625261 135388687 /nfs/dbraw/zinc/38/86/87/135388687.db2.gz KWBFEJWYRGWFNF-SNVBAGLBSA-N 0 3 244.335 0.819 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cncn2C)CCN1C ZINC000334397869 135389534 /nfs/dbraw/zinc/38/95/34/135389534.db2.gz CPSMERKMSLJCEB-UWVGGRQHSA-N 0 3 236.319 0.633 20 0 BCADHN CNC(=O)CCN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000334403282 135391273 /nfs/dbraw/zinc/39/12/73/135391273.db2.gz DSLRHGGVPGHFCQ-AOOOYVTPSA-N 0 3 213.325 0.147 20 0 BCADHN CCOC[C@@H](O)CN(C)CC[C@@H](C)O ZINC000075782043 135391533 /nfs/dbraw/zinc/39/15/33/135391533.db2.gz ZERDVPRMBUCUDV-ZJUUUORDSA-N 0 3 205.298 0.087 20 0 BCADHN CCN(CC)[C@@H]1CCN(S(=O)(=O)CC)C1 ZINC000077898242 135393089 /nfs/dbraw/zinc/39/30/89/135393089.db2.gz UDKOATFDEVTKTR-SNVBAGLBSA-N 0 3 234.365 0.752 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000334425540 135397022 /nfs/dbraw/zinc/39/70/22/135397022.db2.gz XLVJYTUNDASJTK-GXSJLCMTSA-N 0 3 226.320 0.609 20 0 BCADHN CN1CCC(O)(CNC(=O)[C@H]2CC2(C)C)CC1 ZINC000334211089 135398567 /nfs/dbraw/zinc/39/85/67/135398567.db2.gz GOEBFFLALLSUKG-SNVBAGLBSA-N 0 3 240.347 0.605 20 0 BCADHN Cc1nn(C)c(C)c1CNC(=O)C(C)(C)N ZINC000082257191 135431800 /nfs/dbraw/zinc/43/18/00/135431800.db2.gz UNMVNCGPTGNVSB-UHFFFAOYSA-N 0 3 224.308 0.390 20 0 BCADHN Cn1cc(C(=O)N2CC[C@H](N3CCCC3)C2)cn1 ZINC000082258681 135432104 /nfs/dbraw/zinc/43/21/04/135432104.db2.gz PHRXFWARTRABKT-LBPRGKRZSA-N 0 3 248.330 0.730 20 0 BCADHN CC[C@@H](COC)N[C@H]1CCC(=O)N(C)C1=O ZINC000084406659 135471345 /nfs/dbraw/zinc/47/13/45/135471345.db2.gz PRWSRBCVTGTUBH-IUCAKERBSA-N 0 3 228.292 0.148 20 0 BCADHN COC1CC(N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000230673430 135549671 /nfs/dbraw/zinc/54/96/71/135549671.db2.gz QAHKJMPQTGHZRD-IDKOKCKLSA-N 0 3 233.333 0.331 20 0 BCADHN Cn1ccc(CN[C@H]2CCC(=O)N(C)C2=O)c1 ZINC000091008921 135558387 /nfs/dbraw/zinc/55/83/87/135558387.db2.gz SNGALELHIBWXDF-JTQLQIEISA-N 0 3 235.287 0.262 20 0 BCADHN COC(C)(C)CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000334609384 135784954 /nfs/dbraw/zinc/78/49/54/135784954.db2.gz JTCFDRYSOYUIOU-NXEZZACHSA-N 0 3 243.351 0.803 20 0 BCADHN COc1nnccc1NC(=O)NCCN(C)C ZINC000344616152 135787231 /nfs/dbraw/zinc/78/72/31/135787231.db2.gz NTDVETOXICRNFY-UHFFFAOYSA-N 0 3 239.279 0.168 20 0 BCADHN C[C@H](CC(N)=O)NCc1ccc2c(c1)nnn2C ZINC000344904331 135806141 /nfs/dbraw/zinc/80/61/41/135806141.db2.gz VRFAZAYSZPRHLE-MRVPVSSYSA-N 0 3 247.302 0.322 20 0 BCADHN C[C@@H]1CCCN(C(=O)C(=O)NC(C)(C)CN)C1 ZINC000335026368 135867637 /nfs/dbraw/zinc/86/76/37/135867637.db2.gz ZQVHEIDWYBPRIX-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN CO[C@H](C)CCNC(=O)C1CCN(C)CC1 ZINC000345955135 135905221 /nfs/dbraw/zinc/90/52/21/135905221.db2.gz ANVHAOUPOCEYIX-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN COC(C)(C)CCN[C@H](CO)c1cnn(C)c1 ZINC000346620260 135943625 /nfs/dbraw/zinc/94/36/25/135943625.db2.gz RMBIRSNFDNYPHN-LLVKDONJSA-N 0 3 241.335 0.858 20 0 BCADHN Cc1ccc([O-])c(CN2CC[NH2+]C[C@H]2C)n1 ZINC000347009130 135990245 /nfs/dbraw/zinc/99/02/45/135990245.db2.gz FOLFITLRPASMRQ-SNVBAGLBSA-N 0 3 221.304 0.889 20 0 BCADHN CC(C)n1cc(CN2CCCN(C)CC2)nn1 ZINC000347651571 136001186 /nfs/dbraw/zinc/00/11/86/136001186.db2.gz KPDQLZGGKSHVBQ-UHFFFAOYSA-N 0 3 237.351 0.997 20 0 BCADHN CN1CCc2ccc(NC(=O)[C@@H]3C[C@@H]3N)cc21 ZINC000335284286 136001882 /nfs/dbraw/zinc/00/18/82/136001882.db2.gz GWUPRJXCKFUOSZ-MNOVXSKESA-N 0 3 231.299 0.965 20 0 BCADHN O=C1NC[C@@H]2[C@H]1CCCN2CC1=CCCOC1 ZINC000335296734 136006556 /nfs/dbraw/zinc/00/65/56/136006556.db2.gz MNBMQPNPOMQQOT-VXGBXAGGSA-N 0 3 236.315 0.544 20 0 BCADHN CCN1C[C@@H](C)N(Cc2ncnn2C)[C@@H](C)C1 ZINC000347705139 136007787 /nfs/dbraw/zinc/00/77/87/136007787.db2.gz LZGINHFUUYDIRK-PHIMTYICSA-N 0 3 237.351 0.730 20 0 BCADHN C[C@@H]1CCC[C@H](C)CN1C(=O)C(=O)NCCN ZINC000335299191 136007940 /nfs/dbraw/zinc/00/79/40/136007940.db2.gz SIMQKHHZADSLJZ-VHSXEESVSA-N 0 3 241.335 0.098 20 0 BCADHN C[S@](=O)c1nncn1CCCN1CCCC1 ZINC000347706355 136007959 /nfs/dbraw/zinc/00/79/59/136007959.db2.gz XEINYVPHQMCKNA-INIZCTEOSA-N 0 3 242.348 0.501 20 0 BCADHN C[C@@H]1COCCN1CCNCc1cccn1C ZINC000347782106 136009101 /nfs/dbraw/zinc/00/91/01/136009101.db2.gz RXWIRVAVRMGUDN-GFCCVEGCSA-N 0 3 237.347 0.835 20 0 BCADHN COC(=O)[C@@]1(C)CCN(C[C@](C)(O)C(C)=O)C1 ZINC000347748751 136010636 /nfs/dbraw/zinc/01/06/36/136010636.db2.gz MQVQBVRRPUHHKZ-RYUDHWBXSA-N 0 3 243.303 0.211 20 0 BCADHN COC(=O)[C@H](C)CN(C)C[C@@](C)(O)C(C)=O ZINC000347743925 136010954 /nfs/dbraw/zinc/01/09/54/136010954.db2.gz AITURKDATDNNEI-LDYMZIIASA-N 0 3 231.292 0.067 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCN1C ZINC000347759586 136011791 /nfs/dbraw/zinc/01/17/91/136011791.db2.gz RVMBVQAZAPCTSZ-GARJFASQSA-N 0 3 226.320 0.622 20 0 BCADHN CC(C)OCCC(=O)NC[C@@H](C)N(C)C ZINC000347834929 136014394 /nfs/dbraw/zinc/01/43/94/136014394.db2.gz RYPOHSGZLJBVLS-SNVBAGLBSA-N 0 3 216.325 0.868 20 0 BCADHN C[C@@H](CNC(=O)c1ccccn1)N(C)C ZINC000347838284 136014782 /nfs/dbraw/zinc/01/47/82/136014782.db2.gz ZQRDFPXOMGYMET-VIFPVBQESA-N 0 3 207.277 0.762 20 0 BCADHN CCOC[C@@H](O)CN(C)CCNC(=O)C(C)C ZINC000347957934 136017396 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CC(C)c1nc([C@@H](C)N[C@@H](C)CC(N)=O)n[nH]1 ZINC000271434762 397967745 /nfs/dbraw/zinc/96/77/45/397967745.db2.gz DROASUGHLCKIGM-JGVFFNPUSA-N 0 3 239.323 0.843 20 0 BCADHN CC(C)c1nc([C@H](C)N[C@@H](C)CC(N)=O)n[nH]1 ZINC000271434769 397968004 /nfs/dbraw/zinc/96/80/04/397968004.db2.gz DROASUGHLCKIGM-YUMQZZPRSA-N 0 3 239.323 0.843 20 0 BCADHN CCN1C[C@@H](C)N(C[C@@H]2CCC(=O)N2)C[C@H]1C ZINC000649571152 397962268 /nfs/dbraw/zinc/96/22/68/397962268.db2.gz ATZUFPMBQZEKCU-UTUOFQBUSA-N 0 3 239.363 0.680 20 0 BCADHN CCN(C)CCNC(=O)c1ccc(Cl)nn1 ZINC000054131619 397902880 /nfs/dbraw/zinc/90/28/80/397902880.db2.gz PVOZNOSGSFAAHT-UHFFFAOYSA-N 0 3 242.710 0.812 20 0 BCADHN O=C1CC[C@H](NCc2cccc3c2OCO3)CN1 ZINC000110910992 397904546 /nfs/dbraw/zinc/90/45/46/397904546.db2.gz PNKQEYKGOKTAJA-JTQLQIEISA-N 0 3 248.282 0.784 20 0 BCADHN COC(=O)CCN1CCC([C@H](C)O)CC1 ZINC000111288878 397907068 /nfs/dbraw/zinc/90/70/68/397907068.db2.gz UUCRSVFZLAFWEE-VIFPVBQESA-N 0 3 215.293 0.642 20 0 BCADHN C[C@H](CNC(=O)C1(C)COC1)N(C)C1CC1 ZINC000360305703 397963404 /nfs/dbraw/zinc/96/34/04/397963404.db2.gz WNRYPJINIOFZJA-SECBINFHSA-N 0 3 226.320 0.622 20 0 BCADHN CN(CCNC(=O)C1(C)COC1)C1CC1 ZINC000360306708 397963543 /nfs/dbraw/zinc/96/35/43/397963543.db2.gz FDDWKQMMNZRGRQ-UHFFFAOYSA-N 0 3 212.293 0.233 20 0 BCADHN COCC1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000649529728 397920299 /nfs/dbraw/zinc/92/02/99/397920299.db2.gz ZOVKRARKAPVVDU-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN Cc1ocnc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000264663725 397922411 /nfs/dbraw/zinc/92/24/11/397922411.db2.gz NARQPSDLNOTZQM-VIFPVBQESA-N 0 3 223.276 0.665 20 0 BCADHN CC[C@H](O)CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000355791016 397923436 /nfs/dbraw/zinc/92/34/36/397923436.db2.gz FNORTNDZUXERLZ-RYUDHWBXSA-N 0 3 240.347 0.748 20 0 BCADHN CCCCOCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644814401 397926389 /nfs/dbraw/zinc/92/63/89/397926389.db2.gz KMYNCBSZLVYQQR-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(C[C@H]1CCCN1C)[C@@H]1CCNC1=O ZINC000649599813 397990594 /nfs/dbraw/zinc/99/05/94/397990594.db2.gz PLTIKVLOQKZAPB-GHMZBOCLSA-N 0 3 225.336 0.291 20 0 BCADHN CN1CCC[C@@H]1CN1CC[C@@](F)(CO)C1 ZINC000649602963 397990827 /nfs/dbraw/zinc/99/08/27/397990827.db2.gz UATUMULQPHCEGZ-MNOVXSKESA-N 0 3 216.300 0.487 20 0 BCADHN CCN(C[C@H]1CCCN1C)[C@H]1CCNC1=O ZINC000649599814 397991105 /nfs/dbraw/zinc/99/11/05/397991105.db2.gz PLTIKVLOQKZAPB-MNOVXSKESA-N 0 3 225.336 0.291 20 0 BCADHN CCCOc1ccc(CNC(CO)CO)cc1 ZINC000087751986 397992953 /nfs/dbraw/zinc/99/29/53/397992953.db2.gz CYRJJPPSVDQHAF-UHFFFAOYSA-N 0 3 239.315 0.918 20 0 BCADHN CN(C[C@@H]1CCC(=O)N1)[C@@H]1CCCOC1 ZINC000649610664 397995546 /nfs/dbraw/zinc/99/55/46/397995546.db2.gz YAESXSGAPABOBX-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CCNC(=O)[C@@H](NC[C@@H]1CCC(=O)N1)C(C)C ZINC000649617897 398000390 /nfs/dbraw/zinc/00/03/90/398000390.db2.gz ASANEXZUAHZXLY-ONGXEEELSA-N 0 3 241.335 0.015 20 0 BCADHN CN(C[C@H]1CCCC[C@@H]1O)C(C)(C)C(N)=O ZINC000649619360 398002177 /nfs/dbraw/zinc/00/21/77/398002177.db2.gz JPMZWNDJNHGYMT-ZJUUUORDSA-N 0 3 228.336 0.733 20 0 BCADHN CS[C@H](C)CC(=O)N1CCOC2(CNC2)C1 ZINC000596580515 398003411 /nfs/dbraw/zinc/00/34/11/398003411.db2.gz NOTQQOODWSZABO-SECBINFHSA-N 0 3 244.360 0.329 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@@H]1CCC(=O)N1 ZINC000649618661 398004481 /nfs/dbraw/zinc/00/44/81/398004481.db2.gz IXYYZJCNMQHSJL-QWRGUYRKSA-N 0 3 225.336 0.291 20 0 BCADHN C[C@H](Cn1cccn1)N[C@H](CO)CC(F)F ZINC000336728894 398005837 /nfs/dbraw/zinc/00/58/37/398005837.db2.gz CUCMNYUXZDHVAR-BDAKNGLRSA-N 0 3 233.262 0.877 20 0 BCADHN C[C@@H](C(N)=O)N(C)C[C@H]1CCCOC1 ZINC000246303499 398008361 /nfs/dbraw/zinc/00/83/61/398008361.db2.gz DXLZPSVLPWPHNO-DTWKUNHWSA-N 0 3 200.282 0.219 20 0 BCADHN NC(=O)c1ccc(CN[C@H]2CCC[C@@H]2O)cc1 ZINC000323800322 398012734 /nfs/dbraw/zinc/01/27/34/398012734.db2.gz FQROVAVHRUBUIL-RYUDHWBXSA-N 0 3 234.299 0.789 20 0 BCADHN C[C@@H]1CN(CCC(C)(C)O)[C@H](C)CN1CCO ZINC000649631800 398013578 /nfs/dbraw/zinc/01/35/78/398013578.db2.gz NBEDYGQRORIVSL-VXGBXAGGSA-N 0 3 244.379 0.534 20 0 BCADHN C[C@H](Cn1ccnc1)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000275492608 398021780 /nfs/dbraw/zinc/02/17/80/398021780.db2.gz BEMSKWHMWYCYBE-KXUCPTDWSA-N 0 3 240.282 0.088 20 0 BCADHN Cc1nc(Cn2cc([C@H](N)C(C)C)nn2)n[nH]1 ZINC000383526583 398024582 /nfs/dbraw/zinc/02/45/82/398024582.db2.gz PQKNKGVAQJWYEH-SNVBAGLBSA-N 0 3 235.295 0.409 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000054073342 398024858 /nfs/dbraw/zinc/02/48/58/398024858.db2.gz PXXUALSNJVMQQL-IUCAKERBSA-N 0 3 247.302 0.514 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000054074082 398025609 /nfs/dbraw/zinc/02/56/09/398025609.db2.gz SNMGLLCDURKPCR-LURJTMIESA-N 0 3 235.243 0.668 20 0 BCADHN CC[C@H](N)C(=O)NCCCOC1CCOCC1 ZINC000490860602 398028578 /nfs/dbraw/zinc/02/85/78/398028578.db2.gz STJPXWUBZDBVGG-NSHDSACASA-N 0 3 244.335 0.426 20 0 BCADHN COC[C@H](NC(=O)CN)c1ccc(F)cc1 ZINC000491004958 398031309 /nfs/dbraw/zinc/03/13/09/398031309.db2.gz UJTMCOZWODUZAI-JTQLQIEISA-N 0 3 226.251 0.588 20 0 BCADHN O=C1NCCC[C@@H]1N1CCC(C2(O)CC2)CC1 ZINC000649670960 398031946 /nfs/dbraw/zinc/03/19/46/398031946.db2.gz BLIJIKKPNPNJCK-NSHDSACASA-N 0 3 238.331 0.502 20 0 BCADHN CCOC[C@@H](O)CN1CCC(C2(O)CC2)CC1 ZINC000649673053 398034051 /nfs/dbraw/zinc/03/40/51/398034051.db2.gz CASVGISEMJEHFR-LBPRGKRZSA-N 0 3 243.347 0.621 20 0 BCADHN CCCCN1CCN(CCN(C)C)C(=O)C1 ZINC000649687977 398036254 /nfs/dbraw/zinc/03/62/54/398036254.db2.gz MWSXVJQVCRNZSA-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN CC(C)[C@H](C(=O)NCc1cocn1)N(C)C ZINC000594193242 397969387 /nfs/dbraw/zinc/96/93/87/397969387.db2.gz NQCWKUWMYGUQDL-SNVBAGLBSA-N 0 3 225.292 0.877 20 0 BCADHN Cc1c[nH]cc(C(=O)N2CC[C@@H](N(C)C)C2)c1=O ZINC000408168103 397970286 /nfs/dbraw/zinc/97/02/86/397970286.db2.gz HNHJNSRBJGRXJO-SNVBAGLBSA-N 0 3 249.314 0.459 20 0 BCADHN CN(C)C/C=C/C(=O)NCCCCCCO ZINC000271758697 397973447 /nfs/dbraw/zinc/97/34/47/397973447.db2.gz ANBRQNBXZNWZRQ-BQYQJAHWSA-N 0 3 228.336 0.773 20 0 BCADHN C[C@H](CO)N(C)CCN1CCCOCC1 ZINC000361323724 397974235 /nfs/dbraw/zinc/97/42/35/397974235.db2.gz IQMYEPZMBOSWHQ-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](OC)[C@H](C)C1 ZINC000451546602 397974585 /nfs/dbraw/zinc/97/45/85/397974585.db2.gz PUNYXZGBKLIERT-MNOVXSKESA-N 0 3 228.336 0.822 20 0 BCADHN CC[C@@H](NC(=O)[C@H](CC)N(C)C)C(=O)OC ZINC000361327163 397975484 /nfs/dbraw/zinc/97/54/84/397975484.db2.gz TVFBKKNHGQSUNI-BDAKNGLRSA-N 0 3 230.308 0.394 20 0 BCADHN CCOCCNC(=O)NCC1=CCN(C)CC1 ZINC000272090976 397975809 /nfs/dbraw/zinc/97/58/09/397975809.db2.gz NEKVVKLPMBBURF-UHFFFAOYSA-N 0 3 241.335 0.584 20 0 BCADHN C[C@@H]1CC(O)C[C@@H](C)N1C[C@@H]1CCC(=O)N1 ZINC000649590840 397977259 /nfs/dbraw/zinc/97/72/59/397977259.db2.gz FJMFIZSCRZFUBK-BBBLOLIVSA-N 0 3 226.320 0.499 20 0 BCADHN CC[C@@H](C(=O)Nn1cnnc1)N(CC)CC ZINC000272298430 397977710 /nfs/dbraw/zinc/97/77/10/397977710.db2.gz WHPQFVLOKYFJKX-VIFPVBQESA-N 0 3 225.296 0.469 20 0 BCADHN COCCO[C@H]1CCN(C[C@@H]2CCC(=O)N2)C1 ZINC000649591399 397978337 /nfs/dbraw/zinc/97/83/37/397978337.db2.gz VUUWMUCXJGDDEQ-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN CCOC[C@H](O)CN1CCN(CC)C[C@@H]1CC ZINC000451729295 397979365 /nfs/dbraw/zinc/97/93/65/397979365.db2.gz JTCDNJDFHFPEEM-QWHCGFSZSA-N 0 3 244.379 0.800 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@H](CCCO)C1 ZINC000452130722 397984141 /nfs/dbraw/zinc/98/41/41/397984141.db2.gz OJBLDCBPQLYWFP-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CN1CCC[C@@H]1CN1C[C@H](O)CC(F)(F)C1 ZINC000649592135 397985568 /nfs/dbraw/zinc/98/55/68/397985568.db2.gz VPUUOTDEJIGRBN-NXEZZACHSA-N 0 3 234.290 0.783 20 0 BCADHN CSC[C@@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595262057 397985697 /nfs/dbraw/zinc/98/56/97/397985697.db2.gz HSQXLUVFQUQESP-IWSPIJDZSA-N 0 3 249.355 0.819 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000382922665 397989020 /nfs/dbraw/zinc/98/90/20/397989020.db2.gz CPYFHQNJELBLES-FXPVBKGRSA-N 0 3 226.320 0.811 20 0 BCADHN CC(C)OC[C@@H](C)N[C@@H]1COC[C@@H]1O ZINC000389243092 398060581 /nfs/dbraw/zinc/06/05/81/398060581.db2.gz ZIAWNXWJILQHNQ-BBBLOLIVSA-N 0 3 203.282 0.149 20 0 BCADHN Cc1c(CNCCCC(=O)N(C)C)cnn1C ZINC000161142440 398060910 /nfs/dbraw/zinc/06/09/10/398060910.db2.gz VUVJAQVWKVVJJC-UHFFFAOYSA-N 0 3 238.335 0.687 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1nnc(C)n1C ZINC000393066060 398061961 /nfs/dbraw/zinc/06/19/61/398061961.db2.gz STDKJJFTTVFMGB-XCBNKYQSSA-N 0 3 239.323 0.113 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1CCc1cscn1 ZINC000649764390 398092780 /nfs/dbraw/zinc/09/27/80/398092780.db2.gz ATEOPMARHDIWGI-GHMZBOCLSA-N 0 3 242.344 0.767 20 0 BCADHN Cc1nnsc1CNC[C@@H](C)CCO ZINC000389280978 398066688 /nfs/dbraw/zinc/06/66/88/398066688.db2.gz RRLQMNHLSSANOT-ZETCQYMHSA-N 0 3 215.322 0.955 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@@]2(CCOC2)C1 ZINC000334776876 398093153 /nfs/dbraw/zinc/09/31/53/398093153.db2.gz NIXSAKMCBZBEEY-ZWNOBZJWSA-N 0 3 238.331 0.766 20 0 BCADHN COC(=O)CCCN1CCC(C)(O)CC1 ZINC000087781366 398072210 /nfs/dbraw/zinc/07/22/10/398072210.db2.gz CCZFZVZWLZRBLV-UHFFFAOYSA-N 0 3 215.293 0.786 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2ncc[nH]2)nn1 ZINC000384190664 398072195 /nfs/dbraw/zinc/07/21/95/398072195.db2.gz VHNHMCATBCWCJE-SNVBAGLBSA-N 0 3 220.280 0.633 20 0 BCADHN CCn1ncnc1Cn1cc([C@@](C)(N)CC)nn1 ZINC000384188714 398072242 /nfs/dbraw/zinc/07/22/42/398072242.db2.gz ULPNRSDIFBWPRW-NSHDSACASA-N 0 3 249.322 0.522 20 0 BCADHN COC1CCC(NCc2ncnn2C)CC1 ZINC000389327271 398074031 /nfs/dbraw/zinc/07/40/31/398074031.db2.gz LYSBZRPPYOFJKS-UHFFFAOYSA-N 0 3 224.308 0.862 20 0 BCADHN CCOC[C@@H](O)Cn1cc([C@](C)(N)CC)nn1 ZINC000384200385 398074359 /nfs/dbraw/zinc/07/43/59/398074359.db2.gz LJSHMNWILBAWBM-GXSJLCMTSA-N 0 3 242.323 0.259 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2csnn2)nn1 ZINC000384201457 398074573 /nfs/dbraw/zinc/07/45/73/398074573.db2.gz LVMNBYSKIRTBOP-SECBINFHSA-N 0 3 238.320 0.762 20 0 BCADHN CC[C@@](C)(N)c1cn(CC(=O)N2CCC2)nn1 ZINC000384200948 398074807 /nfs/dbraw/zinc/07/48/07/398074807.db2.gz LPYRILKEZUPSQK-LLVKDONJSA-N 0 3 237.307 0.094 20 0 BCADHN CC1(C)COC[C@H]1N[C@H]1CCCCNC1=O ZINC000312989880 398074748 /nfs/dbraw/zinc/07/47/48/398074748.db2.gz WODQODCPIIHLIV-VHSXEESVSA-N 0 3 226.320 0.670 20 0 BCADHN CCCN1CC[C@@H](NCc2ncnn2C)C1 ZINC000389335828 398076290 /nfs/dbraw/zinc/07/62/90/398076290.db2.gz VWHDVAZQHPWAKI-SNVBAGLBSA-N 0 3 223.324 0.389 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2n[nH]c(C)n2)nn1 ZINC000384227112 398078766 /nfs/dbraw/zinc/07/87/66/398078766.db2.gz VRVKQMUUZVDSJR-SNVBAGLBSA-N 0 3 235.295 0.337 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1CCc1ccncc1 ZINC000649741899 398080476 /nfs/dbraw/zinc/08/04/76/398080476.db2.gz IJSZCDZNIYZUSQ-QWHCGFSZSA-N 0 3 236.315 0.706 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1C[C@@H](O)CCC(C)C ZINC000649744590 398082440 /nfs/dbraw/zinc/08/24/40/398082440.db2.gz GAZGQGVWBAPMRN-RWMBFGLXSA-N 0 3 245.363 0.865 20 0 BCADHN CCN(C[C@@H]1COCCO1)[C@@H]1CCCOC1 ZINC000649754088 398084595 /nfs/dbraw/zinc/08/45/95/398084595.db2.gz BTCRRSJKVWAFBF-VXGBXAGGSA-N 0 3 229.320 0.903 20 0 BCADHN O=C1CC[C@@H](CNCc2ccns2)N1 ZINC000404408635 398085120 /nfs/dbraw/zinc/08/51/20/398085120.db2.gz GIEBHHIFIMJGCN-ZETCQYMHSA-N 0 3 211.290 0.511 20 0 BCADHN CCN(CC)CC(=O)N1CCO[C@H]2C[C@H]21 ZINC000646748984 398087004 /nfs/dbraw/zinc/08/70/04/398087004.db2.gz XRUAZIWORWWCSR-ZJUUUORDSA-N 0 3 212.293 0.328 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2nccnc2N)CCN1C ZINC000408226400 398087433 /nfs/dbraw/zinc/08/74/33/398087433.db2.gz NOARICJQUUCMPA-BDAKNGLRSA-N 0 3 249.318 0.271 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2csnn2)CCN1C ZINC000408226313 398087448 /nfs/dbraw/zinc/08/74/48/398087448.db2.gz NAJBFCRMRZIBEK-SFYZADRCSA-N 0 3 240.332 0.751 20 0 BCADHN CC(C)NC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000613393166 398095777 /nfs/dbraw/zinc/09/57/77/398095777.db2.gz NMEFFWSXMFBSPX-VHSXEESVSA-N 0 3 211.309 0.740 20 0 BCADHN CC[C@@H](O)CC(=O)N1CCNC(C)(C)C1 ZINC000582826035 398051187 /nfs/dbraw/zinc/05/11/87/398051187.db2.gz DOVGWKLLQLFFKM-SECBINFHSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@H](CNC(=O)c1cccc(N)n1)N(C)C ZINC000051071780 398054963 /nfs/dbraw/zinc/05/49/63/398054963.db2.gz BXQIANIWNVEVGR-MRVPVSSYSA-N 0 3 222.292 0.344 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCSCC1 ZINC000491687408 398057589 /nfs/dbraw/zinc/05/75/89/398057589.db2.gz VXSMJPCQRMPRDX-ARJAWSKDSA-N 0 3 214.334 0.680 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2(N)CCCC2)[C@@H](C)O1 ZINC000384617834 398099608 /nfs/dbraw/zinc/09/96/08/398099608.db2.gz PPLYJGCLKIHHMO-BBBLOLIVSA-N 0 3 226.320 0.940 20 0 BCADHN CN(CC[C@@H]1CCCO1)CCN1CCOCC1 ZINC000191051382 398100958 /nfs/dbraw/zinc/10/09/58/398100958.db2.gz SOECHYPKBFFLON-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN C[C@H](CO)C1CCN([C@@H]2CCCNC2=O)CC1 ZINC000649799852 398109205 /nfs/dbraw/zinc/10/92/05/398109205.db2.gz FSPDDEXVWZJIFT-ZYHUDNBSSA-N 0 3 240.347 0.605 20 0 BCADHN C[NH+](C)C/C=C/C(=O)[N-]OC/C=C/Cl ZINC000292228035 398103454 /nfs/dbraw/zinc/10/34/54/398103454.db2.gz RJAZUGSXMMTQPM-GGWOSOGESA-N 0 3 218.684 0.905 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC([C@H](C)CO)CC1 ZINC000649797736 398105555 /nfs/dbraw/zinc/10/55/55/398105555.db2.gz GMQRCUHOAJYIPX-ZWNOBZJWSA-N 0 3 243.347 0.667 20 0 BCADHN COCC[C@H](CO)NCc1ccncc1C ZINC000384821824 398107641 /nfs/dbraw/zinc/10/76/41/398107641.db2.gz CFHJAGJXOQIJCH-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN COCCOCCN1CCC([C@H](C)CO)CC1 ZINC000649798978 398107829 /nfs/dbraw/zinc/10/78/29/398107829.db2.gz LTGJGMTXTVZTAG-GFCCVEGCSA-N 0 3 245.363 0.990 20 0 BCADHN CC[C@H](C(=O)NC[C@H](O)C(F)F)N(C)C ZINC000332516595 171230059 /nfs/dbraw/zinc/23/00/59/171230059.db2.gz PIKRBDDOMNDTAK-RQJHMYQMSA-N 0 3 224.251 0.069 20 0 BCADHN CC[C@H](C(N)=O)N1CCC(C)(OC)CC1 ZINC000336701476 171242752 /nfs/dbraw/zinc/24/27/52/171242752.db2.gz PYCDMKNJSUJPPV-SECBINFHSA-N 0 3 214.309 0.751 20 0 BCADHN CCOCCN1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355081426 398097895 /nfs/dbraw/zinc/09/78/95/398097895.db2.gz 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0 3 214.309 0.526 20 0 BCADHN CN[C@@H](C)C(=O)N1C[C@@H](C)OCC12CCC2 ZINC000655486262 410785737 /nfs/dbraw/zinc/78/57/37/410785737.db2.gz QULIFPQDDMVUFZ-ZJUUUORDSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@@](C)(COC)C1 ZINC000394487301 410794734 /nfs/dbraw/zinc/79/47/34/410794734.db2.gz WWTJQKNKNMSTMK-GXSJLCMTSA-N 0 3 214.309 0.609 20 0 BCADHN COCC1(CNC(=O)C2(N)CCC2)CC1 ZINC000655490849 410807883 /nfs/dbraw/zinc/80/78/83/410807883.db2.gz UGMJEQOLUSWGBQ-UHFFFAOYSA-N 0 3 212.293 0.411 20 0 BCADHN COCC1(CNC(=O)[C@@H]2CCCCN2)CC1 ZINC000655490877 410810092 /nfs/dbraw/zinc/81/00/92/410810092.db2.gz VEQXBXSOMAEFPX-JTQLQIEISA-N 0 3 226.320 0.671 20 0 BCADHN CC(C)OCCNC(=O)[C@@H](N)CC(F)F ZINC000309061230 410854131 /nfs/dbraw/zinc/85/41/31/410854131.db2.gz WCERYRBJARQAOR-ZETCQYMHSA-N 0 3 224.251 0.510 20 0 BCADHN C[C@H](NCC[C@@H]1CCNC1=O)c1cnn(C)c1 ZINC000395958693 410869215 /nfs/dbraw/zinc/86/92/15/410869215.db2.gz FBQKRXSUQQMSNP-VHSXEESVSA-N 0 3 236.319 0.597 20 0 BCADHN Cc1nccc(C(=O)N2C[C@@H](C)NC[C@H]2C)n1 ZINC000396907694 410903457 /nfs/dbraw/zinc/90/34/57/410903457.db2.gz GFVMKFIZEHPKSG-RKDXNWHRSA-N 0 3 234.303 0.607 20 0 BCADHN CC(C)CN[C@H]1CCN(c2ccn(C)n2)C1=O ZINC000377695704 167015726 /nfs/dbraw/zinc/01/57/26/167015726.db2.gz JOHYTQNXYYOPIO-JTQLQIEISA-N 0 3 236.319 0.771 20 0 BCADHN CC(C)N1CC[C@H](N[C@@H]2CN(C)C[C@H]2C)C1=O ZINC000358167116 167026135 /nfs/dbraw/zinc/02/61/35/167026135.db2.gz YJTAJUOUILUYCE-GRYCIOLGSA-N 0 3 239.363 0.535 20 0 BCADHN CC(C)N1CC[C@H](N(C)[C@H]2CCC[C@@H]2O)C1=O ZINC000352658784 167026257 /nfs/dbraw/zinc/02/62/57/167026257.db2.gz GMSBPEYZRKMZHA-SRVKXCTJSA-N 0 3 240.347 0.841 20 0 BCADHN CC(C)NC(=O)CCN(C)C1CC(O)C1 ZINC000331987949 167039428 /nfs/dbraw/zinc/03/94/28/167039428.db2.gz DMZJNAFIBAUUMH-UHFFFAOYSA-N 0 3 214.309 0.356 20 0 BCADHN CC(C)NC(=O)CCN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339624209 167042900 /nfs/dbraw/zinc/04/29/00/167042900.db2.gz XPIQWIOTDXHNDZ-RYUDHWBXSA-N 0 3 241.379 0.926 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H]2OCC[C@H]2C1 ZINC000369647056 167054177 /nfs/dbraw/zinc/05/41/77/167054177.db2.gz IJKMSUXQUJSERV-WDEREUQCSA-N 0 3 226.320 0.622 20 0 BCADHN CC(C)NC(=O)CN1CC[C@](CO)(C(C)C)C1 ZINC000377677202 167054967 /nfs/dbraw/zinc/05/49/67/167054967.db2.gz MYQRDYCWKWWWMV-ZDUSSCGKSA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)NC(=O)CN[C@@H](C)COC(C)C ZINC000309073885 167059594 /nfs/dbraw/zinc/05/95/94/167059594.db2.gz HZNURPYRHHXYMY-JTQLQIEISA-N 0 3 216.325 0.914 20 0 BCADHN CCOc1nc(NCCN(C)C)ncc1Cl ZINC000651289233 410901484 /nfs/dbraw/zinc/90/14/84/410901484.db2.gz GTHIFWGVESZABI-UHFFFAOYSA-N 0 3 244.726 0.924 20 0 BCADHN CC(C)NS(=O)(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000408143815 167124506 /nfs/dbraw/zinc/12/45/06/167124506.db2.gz XZTCMVUYCQOFCE-SNVBAGLBSA-N 0 3 249.380 0.113 20 0 BCADHN CC(C)OC(=O)CCNC(=O)C(C)(C)N ZINC000309388039 167157240 /nfs/dbraw/zinc/15/72/40/167157240.db2.gz FHLGIDHXWFRFGI-UHFFFAOYSA-N 0 3 216.281 0.182 20 0 BCADHN CC(C)OC(=O)[C@H](C)CNC(=O)[C@@H](C)N ZINC000119391118 167169716 /nfs/dbraw/zinc/16/97/16/167169716.db2.gz BZWHJRAKEYYPJQ-HTQZYQBOSA-N 0 3 216.281 0.038 20 0 BCADHN CC(C)OCC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000361906905 167183143 /nfs/dbraw/zinc/18/31/43/167183143.db2.gz JSEABYIGOJHISL-VXGBXAGGSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)OCCCN(C)[C@@]1(CO)CCOC1 ZINC000359589119 167213944 /nfs/dbraw/zinc/21/39/44/167213944.db2.gz ZETGMNJXIWGSLB-GFCCVEGCSA-N 0 3 231.336 0.885 20 0 BCADHN CC(C)OCCNC(=O)N[C@@H](C)CN(C)C ZINC000355068659 167239995 /nfs/dbraw/zinc/23/99/95/167239995.db2.gz AIYKFSFSIQYQLO-JTQLQIEISA-N 0 3 231.340 0.661 20 0 BCADHN CC(C)OCCN[C@H](C(N)=O)C(C)(C)C ZINC000109330918 167244421 /nfs/dbraw/zinc/24/44/21/167244421.db2.gz RCUZDZDVCBXELO-SECBINFHSA-N 0 3 216.325 0.901 20 0 BCADHN CC(C)OCCN[C@H](C)c1ccc(=O)[nH]n1 ZINC000309380106 167244550 /nfs/dbraw/zinc/24/45/50/167244550.db2.gz DEQQDVFUQSGTDD-SECBINFHSA-N 0 3 225.292 0.846 20 0 BCADHN CC(C)OCC[C@H](O)CN1CCC[C@@H](O)C1 ZINC000330966886 167253056 /nfs/dbraw/zinc/25/30/56/167253056.db2.gz IAHFDBUORHWIFF-NEPJUHHUSA-N 0 3 231.336 0.619 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000655495747 410917899 /nfs/dbraw/zinc/91/78/99/410917899.db2.gz URGZYFFIBIKNNK-ONGXEEELSA-N 0 3 226.320 0.894 20 0 BCADHN CC(C)OC[C@@H](C)NC1(C(N)=O)CC1 ZINC000336696433 167255589 /nfs/dbraw/zinc/25/55/89/167255589.db2.gz TVTJUGHAAJAEPP-MRVPVSSYSA-N 0 3 200.282 0.407 20 0 BCADHN CC(C)OC[C@@H](C)N[C@H](C)CS(C)(=O)=O ZINC000336766491 167259672 /nfs/dbraw/zinc/25/96/72/167259672.db2.gz SAHGIGPLFUFDHZ-NXEZZACHSA-N 0 3 237.365 0.823 20 0 BCADHN CC(C)OC[C@@H](C)N[C@H]1CCCS(=O)(=O)C1 ZINC000336731365 167259876 /nfs/dbraw/zinc/25/98/76/167259876.db2.gz FGVICGOLFVGHPO-MNOVXSKESA-N 0 3 249.376 0.967 20 0 BCADHN CC(C)OC[C@H](C)NCC(=O)N(C)C ZINC000336672600 167264494 /nfs/dbraw/zinc/26/44/94/167264494.db2.gz ZVIBTBXIVGAANE-VIFPVBQESA-N 0 3 202.298 0.478 20 0 BCADHN CC(C)OC[C@H](O)CN(C)C1(CO)CC1 ZINC000353027116 167266980 /nfs/dbraw/zinc/26/69/80/167266980.db2.gz LYZQTJVVNIBBEZ-SNVBAGLBSA-N 0 3 217.309 0.229 20 0 BCADHN CC(C)OC[C@H](O)CN(C)[C@@H]1CCOC1 ZINC000106937049 167267608 /nfs/dbraw/zinc/26/76/08/167267608.db2.gz DCQVUQCHXCXFAO-GHMZBOCLSA-N 0 3 217.309 0.493 20 0 BCADHN CC(C)OC[C@H](O)CN(C)C1CC(O)C1 ZINC000332035614 167267822 /nfs/dbraw/zinc/26/78/22/167267822.db2.gz KNQCHGMPUZLWDS-VQXHTEKXSA-N 0 3 217.309 0.227 20 0 BCADHN Cc1cnc(CNC2CCOCC2)n1C ZINC000309246211 410912107 /nfs/dbraw/zinc/91/21/07/410912107.db2.gz ZGFBDCWJDKYLQU-UHFFFAOYSA-N 0 3 209.293 0.997 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@H]1CCCO1)N(C)C ZINC000129475721 167342196 /nfs/dbraw/zinc/34/21/96/167342196.db2.gz MCDAVFNBZFQAMY-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCC(CO)CC1)N(C)C ZINC000124909656 167342266 /nfs/dbraw/zinc/34/22/66/167342266.db2.gz SVJOKHXENBHLJS-LBPRGKRZSA-N 0 3 242.363 0.804 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC[C@@H](CO)C1)N(C)C ZINC000340311423 167342459 /nfs/dbraw/zinc/34/24/59/167342459.db2.gz BMRBFPQJFPOEBN-MNOVXSKESA-N 0 3 228.336 0.413 20 0 BCADHN CC(C)[C@@H](C(=O)NCC(N)=O)N1CCCCC1 ZINC000067246940 167342595 /nfs/dbraw/zinc/34/25/95/167342595.db2.gz PLEGTXQPWROUJX-NSHDSACASA-N 0 3 241.335 0.098 20 0 BCADHN CC(C)[C@@H](C(=O)N(CC(N)=O)C(C)C)N(C)C ZINC000110604663 167343109 /nfs/dbraw/zinc/34/31/09/167343109.db2.gz NQBLKDQOMSQUNW-NSHDSACASA-N 0 3 243.351 0.295 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@H](C)CO)N(C)C ZINC000120885204 167343500 /nfs/dbraw/zinc/34/35/00/167343500.db2.gz JDXIBCCWSDYLRA-UWVGGRQHSA-N 0 3 216.325 0.317 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)NC1CC1)c1ncon1 ZINC000397907599 410938674 /nfs/dbraw/zinc/93/86/74/410938674.db2.gz ZTNMFLITTWFBIN-RQJHMYQMSA-N 0 3 224.264 0.387 20 0 BCADHN CC(C)[C@@H](C)NC(=O)C1CCN(CCO)CC1 ZINC000330938461 167371252 /nfs/dbraw/zinc/37/12/52/167371252.db2.gz VHJOMGVGNTXNQQ-LLVKDONJSA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)[C@@H](CO)CNCc1cncnc1 ZINC000336764313 167402004 /nfs/dbraw/zinc/40/20/04/167402004.db2.gz QCDKOIXAVYOBOH-LLVKDONJSA-N 0 3 209.293 0.831 20 0 BCADHN CC(C)[C@@H](CO)CNCc1ccnn1C ZINC000336747237 167402917 /nfs/dbraw/zinc/40/29/17/167402917.db2.gz CEXZHXVULPEWLH-SNVBAGLBSA-N 0 3 211.309 0.774 20 0 BCADHN COc1ccc(NC(=O)C2(N)CC2)nc1 ZINC000309362992 410927147 /nfs/dbraw/zinc/92/71/47/410927147.db2.gz ATNGXSZIKWKLSL-UHFFFAOYSA-N 0 3 207.233 0.520 20 0 BCADHN CC1(OCC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)CNC1 ZINC000397836243 410935484 /nfs/dbraw/zinc/93/54/84/410935484.db2.gz UBXQFAAOIAJLDJ-ILWJIGKKSA-N 0 3 224.304 0.280 20 0 BCADHN COc1cccc(C(=O)NCC2C[NH2+]C2)c1[O-] ZINC000397834845 410936159 /nfs/dbraw/zinc/93/61/59/410936159.db2.gz MCYLGKQPWVZAEF-UHFFFAOYSA-N 0 3 236.271 0.350 20 0 BCADHN CN(Cc1cn[nH]c1)C(=O)[C@@H](N)C1CCC1 ZINC000399051500 411012742 /nfs/dbraw/zinc/01/27/42/411012742.db2.gz VRFZSPDPNGXAPW-JTQLQIEISA-N 0 3 222.292 0.496 20 0 BCADHN CN(C)CCN1CCN(c2ccccn2)CC1=O ZINC000651383552 410967243 /nfs/dbraw/zinc/96/72/43/410967243.db2.gz FADQKVVSACENJD-UHFFFAOYSA-N 0 3 248.330 0.292 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@H](CO)CCF ZINC000652015846 410973561 /nfs/dbraw/zinc/97/35/61/410973561.db2.gz MZHOWENDRMUDSA-JTQLQIEISA-N 0 3 229.299 0.847 20 0 BCADHN CCc1ncc(CN[C@@H](CO)CCF)cn1 ZINC000652017115 410981963 /nfs/dbraw/zinc/98/19/63/410981963.db2.gz OQNBPKOEUZNQKD-SNVBAGLBSA-N 0 3 227.283 0.849 20 0 BCADHN Cn1ccc(CN[C@@H](CO)CCF)c1 ZINC000652019048 410999532 /nfs/dbraw/zinc/99/95/32/410999532.db2.gz IJQRVVGWUDWRAD-SNVBAGLBSA-N 0 3 200.257 0.835 20 0 BCADHN CN(CCn1cccn1)C[C@@H]1COCCO1 ZINC000661602518 411014090 /nfs/dbraw/zinc/01/40/90/411014090.db2.gz CICLMSOLKUSREL-LLVKDONJSA-N 0 3 225.292 0.230 20 0 BCADHN N[C@@H](C(=O)NCc1cscn1)C1CCC1 ZINC000398970200 411003952 /nfs/dbraw/zinc/00/39/52/411003952.db2.gz VHFDNBNIIWXMTF-SECBINFHSA-N 0 3 225.317 0.887 20 0 BCADHN CCNC(=O)C(C)(C)NC[C@H]1CCCN1C ZINC000313096123 411051273 /nfs/dbraw/zinc/05/12/73/411051273.db2.gz KXSLXTAERPOQIV-SNVBAGLBSA-N 0 3 227.352 0.585 20 0 BCADHN CN(CCc1cccnc1)C[C@@H]1COCCO1 ZINC000661612137 411054333 /nfs/dbraw/zinc/05/43/33/411054333.db2.gz KOXYRUZAVSDKRQ-CYBMUJFWSA-N 0 3 236.315 0.971 20 0 BCADHN C[C@H](O)CCCN(C)C[C@H]1COCCO1 ZINC000661612020 411054536 /nfs/dbraw/zinc/05/45/36/411054536.db2.gz OBDWNSSCDBIJKI-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN CN(CCO)C[C@H](O)Cc1ccccc1 ZINC000192498468 411067089 /nfs/dbraw/zinc/06/70/89/411067089.db2.gz LNRLUSDBIMAZQM-GFCCVEGCSA-N 0 3 209.289 0.514 20 0 BCADHN COC[C@@](C)(O)CNCc1cnc(OC)s1 ZINC000394607242 411067952 /nfs/dbraw/zinc/06/79/52/411067952.db2.gz ROODRUGFPFWUNK-JTQLQIEISA-N 0 3 246.332 0.639 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1C[C@@H]1CCC(=O)N1 ZINC000399144078 411019976 /nfs/dbraw/zinc/01/99/76/411019976.db2.gz BCTUUTOOYCUUQA-UTLUCORTSA-N 0 3 212.293 0.110 20 0 BCADHN CCN1CCN(CCNC(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000042590315 411021295 /nfs/dbraw/zinc/02/12/95/411021295.db2.gz MRZMAOOEQOCGEB-NWDGAFQWSA-N 0 3 239.363 0.396 20 0 BCADHN CN(C[C@H]1CCOC1)C(=O)C1(N)CCC1 ZINC000399260112 411029131 /nfs/dbraw/zinc/02/91/31/411029131.db2.gz PIBAXLBSLLYXFU-SECBINFHSA-N 0 3 212.293 0.363 20 0 BCADHN C[C@H](CO)CNCc1cnnn1-c1ccccc1 ZINC000651686847 411136074 /nfs/dbraw/zinc/13/60/74/411136074.db2.gz NTFUAYXAHJDCRB-NSHDSACASA-N 0 3 246.314 0.985 20 0 BCADHN CC1(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)CC1 ZINC000647706977 411140113 /nfs/dbraw/zinc/14/01/13/411140113.db2.gz UMPJSDVSQOEQDH-GHMZBOCLSA-N 0 3 238.331 0.454 20 0 BCADHN CN(CC(=O)NC1CC1)C[C@H]1CCOC1 ZINC000047707082 411163907 /nfs/dbraw/zinc/16/39/07/411163907.db2.gz YRAZUSUOLPKIMO-SECBINFHSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@H]1C[C@@H]1CN1CCN(CCN(C)C)C(=O)C1 ZINC000651891116 411149125 /nfs/dbraw/zinc/14/91/25/411149125.db2.gz IDBISTPIVBFLIZ-NWDGAFQWSA-N 0 3 239.363 0.348 20 0 BCADHN COCCCCC(=O)N[C@H](CN)C(F)(F)F ZINC000655511550 411149401 /nfs/dbraw/zinc/14/94/01/411149401.db2.gz GOOANVNPEAYGSG-SSDOTTSWSA-N 0 3 242.241 0.809 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000119035829 411149982 /nfs/dbraw/zinc/14/99/82/411149982.db2.gz XRYRJVGHIPOFEX-OUAUKWLOSA-N 0 3 236.319 0.830 20 0 BCADHN NCCn1cccc(C(F)(F)F)c1=O ZINC000082639959 411150207 /nfs/dbraw/zinc/15/02/07/411150207.db2.gz KFSIDIKQHZALNA-UHFFFAOYSA-N 0 3 206.167 0.826 20 0 BCADHN C[C@@H]1C[C@H](C)N1CCN1C(=O)CN(C)C1=O ZINC000660446278 411151621 /nfs/dbraw/zinc/15/16/21/411151621.db2.gz MLKQIMRZKROKDW-DTORHVGOSA-N 0 3 225.292 0.363 20 0 BCADHN COC[C@H](O)CN[C@H]1CCCn2nccc21 ZINC000657884764 411151979 /nfs/dbraw/zinc/15/19/79/411151979.db2.gz ACVFZJWBINGWGA-ZJUUUORDSA-N 0 3 225.292 0.315 20 0 BCADHN C[C@@H]1CN(CCc2c[nH]nn2)C[C@@H](C2CC2)O1 ZINC000660446168 411151999 /nfs/dbraw/zinc/15/19/99/411151999.db2.gz QEFHTJAOYYFJMB-SKDRFNHKSA-N 0 3 236.319 0.847 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](C)c1ccncc1 ZINC000309508894 411155516 /nfs/dbraw/zinc/15/55/16/411155516.db2.gz WSAUWRGSSOGOMU-RKDXNWHRSA-N 0 3 207.277 0.649 20 0 BCADHN CC[C@H](C)NC(=O)N[C@H](CN)C(F)(F)F ZINC000655910216 411156806 /nfs/dbraw/zinc/15/68/06/411156806.db2.gz OQUCZSVEJHUKKJ-NTSWFWBYSA-N 0 3 227.230 0.974 20 0 BCADHN CCOCCNC(=O)N[C@@H](CN)C(F)(F)F ZINC000655912330 411157292 /nfs/dbraw/zinc/15/72/92/411157292.db2.gz TVLSMEOJQQDOHG-LURJTMIESA-N 0 3 243.229 0.212 20 0 BCADHN CC1CC(NC(=O)N[C@H](CN)C(F)(F)F)C1 ZINC000655918805 411157977 /nfs/dbraw/zinc/15/79/77/411157977.db2.gz DMFDXPVNCCAEDN-KPGICGJXSA-N 0 3 239.241 0.974 20 0 BCADHN CN(C)CCNC(=O)COc1cccc(F)c1 ZINC000047652983 411160747 /nfs/dbraw/zinc/16/07/47/411160747.db2.gz YLZMLWQGKVTBJA-UHFFFAOYSA-N 0 3 240.278 0.882 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1CC1=CCCOC1 ZINC000651950452 411160893 /nfs/dbraw/zinc/16/08/93/411160893.db2.gz XZXWRPZBASBTCP-VXGBXAGGSA-N 0 3 227.304 0.415 20 0 BCADHN COc1ccc2c(c1)CN(C(=O)CN)C2 ZINC000655502673 411112233 /nfs/dbraw/zinc/11/22/33/411112233.db2.gz SVTKZTNEZVYTMY-UHFFFAOYSA-N 0 3 206.245 0.496 20 0 BCADHN CCN1CC[C@@H](N2CC[C@@]3(CCOC3)C2)C1=O ZINC000659997538 411162247 /nfs/dbraw/zinc/16/22/47/411162247.db2.gz JVPJNZASLLUXPT-DGCLKSJQSA-N 0 3 238.331 0.720 20 0 BCADHN OCCN(CCc1c[nH]nn1)Cc1cccnc1 ZINC000660007966 411168810 /nfs/dbraw/zinc/16/88/10/411168810.db2.gz VEKDPHCPOVFTPI-UHFFFAOYSA-N 0 3 247.302 0.237 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(N)nc1 ZINC000061656023 411176189 /nfs/dbraw/zinc/17/61/89/411176189.db2.gz OHBXYXRPHYEKGC-LLVKDONJSA-N 0 3 248.330 0.830 20 0 BCADHN Cc1ccnc(CN2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000653685624 411177698 /nfs/dbraw/zinc/17/76/98/411177698.db2.gz ZMNFIUCTCWVQFQ-STQMWFEESA-N 0 3 235.331 0.497 20 0 BCADHN CN(C)[C@H]1CN(CC2=CCCC2)C[C@@H]1O ZINC000653684948 411178144 /nfs/dbraw/zinc/17/81/44/411178144.db2.gz JDAMSLBROLKQAU-RYUDHWBXSA-N 0 3 210.321 0.703 20 0 BCADHN COc1ccc(CN[C@@H]2CCCNC(=O)C2)cn1 ZINC000111826954 411181565 /nfs/dbraw/zinc/18/15/65/411181565.db2.gz BRVSMPHUDBYPNK-LLVKDONJSA-N 0 3 249.314 0.849 20 0 BCADHN NCc1ccccc1OCc1cn(CCO)nn1 ZINC000656436220 411248193 /nfs/dbraw/zinc/24/81/93/411248193.db2.gz QXTABVNOKJMWQS-UHFFFAOYSA-N 0 3 248.286 0.308 20 0 BCADHN COC[C@H](CN[C@@H]1CCCn2nccc21)OC ZINC000657968689 411182275 /nfs/dbraw/zinc/18/22/75/411182275.db2.gz CXLDEGOEFQXUSM-WDEREUQCSA-N 0 3 239.319 0.969 20 0 BCADHN C[C@H](N[C@H]1CCCN2CCCC[C@@H]12)C(N)=O ZINC000656129916 411183931 /nfs/dbraw/zinc/18/39/31/411183931.db2.gz OWICPDAMZHLWGN-DCAQKATOSA-N 0 3 225.336 0.467 20 0 BCADHN COc1ncncc1CNCCCN1CCC1 ZINC000655754650 411184995 /nfs/dbraw/zinc/18/49/95/411184995.db2.gz TUIZAXRRAFQWSQ-UHFFFAOYSA-N 0 3 236.319 0.671 20 0 BCADHN Cc1cc(CNCCCN2CCC2)nn1C ZINC000655754932 411185080 /nfs/dbraw/zinc/18/50/80/411185080.db2.gz YHANIDKTLRYNLO-UHFFFAOYSA-N 0 3 222.336 0.914 20 0 BCADHN Cc1nnc(NCCN2CCC(C)CC2)o1 ZINC000336734129 411185784 /nfs/dbraw/zinc/18/57/84/411185784.db2.gz HELPXBLDPVNHQO-UHFFFAOYSA-N 0 3 224.308 1.522 20 0 BCADHN Cc1nnc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)o1 ZINC000336726884 411186353 /nfs/dbraw/zinc/18/63/53/411186353.db2.gz BTPMLOAJURTXCH-VXNVDRBHSA-N 0 3 222.292 1.415 20 0 BCADHN CCC(C)(C)N1CCN(CC(N)=O)CC1 ZINC000653808209 411187693 /nfs/dbraw/zinc/18/76/93/411187693.db2.gz QLQTZQCXYXEPMC-UHFFFAOYSA-N 0 3 213.325 0.278 20 0 BCADHN COCC1(CNC[C@H](O)C(F)(F)F)CC1 ZINC000656155179 411189733 /nfs/dbraw/zinc/18/97/33/411189733.db2.gz LFVBBBFRZUFQTM-ZETCQYMHSA-N 0 3 227.226 0.926 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)Cn1cncn1 ZINC000657989966 411191705 /nfs/dbraw/zinc/19/17/05/411191705.db2.gz PMYZZCYVFOAGEE-VHSXEESVSA-N 0 3 239.323 0.123 20 0 BCADHN CCN1C[C@@H](CN[C@@H]2CCn3ccnc32)CC1=O ZINC000652300834 411191944 /nfs/dbraw/zinc/19/19/44/411191944.db2.gz MKZQOOAPUNSTJM-GHMZBOCLSA-N 0 3 248.330 0.786 20 0 BCADHN C[C@]12COC[C@@H]1CN(C[C@H](O)C(F)(F)F)C2 ZINC000661700724 411192060 /nfs/dbraw/zinc/19/20/60/411192060.db2.gz GSUJXGROLJSBKI-CIUDSAMLSA-N 0 3 239.237 0.878 20 0 BCADHN Cn1cnnc1N1CCN(CC2CCC2)CC1 ZINC000653819489 411192140 /nfs/dbraw/zinc/19/21/40/411192140.db2.gz XCQLTRDJHOHMDO-UHFFFAOYSA-N 0 3 235.335 0.737 20 0 BCADHN CCCCN1CCN(c2nncn2C)CC1 ZINC000653818418 411192449 /nfs/dbraw/zinc/19/24/49/411192449.db2.gz YLXHXMNPVSVFLC-UHFFFAOYSA-N 0 3 223.324 0.737 20 0 BCADHN C[C@@H](N[C@H](CO)CCF)c1ccnn1C ZINC000652301831 411192756 /nfs/dbraw/zinc/19/27/56/411192756.db2.gz IOKIMZPBIWYLFP-BDAKNGLRSA-N 0 3 215.272 0.791 20 0 BCADHN C[C@H](N[C@@H](CO)CCF)c1cn[nH]c1 ZINC000652302398 411192852 /nfs/dbraw/zinc/19/28/52/411192852.db2.gz XHEDWMBAXDRXNT-IONNQARKSA-N 0 3 201.245 0.781 20 0 BCADHN COC[C@@H](CO)N[C@H]1COC2(CCC2)C1 ZINC000658000068 411194004 /nfs/dbraw/zinc/19/40/04/411194004.db2.gz SIWVZFKEMLGUJL-NXEZZACHSA-N 0 3 215.293 0.295 20 0 BCADHN CC[C@H](C)NC(=O)CN1C[C@@H]2COC[C@]2(C)C1 ZINC000661701092 411197022 /nfs/dbraw/zinc/19/70/22/411197022.db2.gz YKLJVGXFFDQORG-LOWVWBTDSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)(C)OCCCN[C@]1(C(N)=O)CCOC1 ZINC000653841350 411197916 /nfs/dbraw/zinc/19/79/16/411197916.db2.gz DWAZTNQMIMTGFQ-GFCCVEGCSA-N 0 3 244.335 0.426 20 0 BCADHN NC(=O)[C@@]1(NC[C@@H]2CCC(F)(F)C2)CCOC1 ZINC000653847417 411199194 /nfs/dbraw/zinc/19/91/94/411199194.db2.gz WHXBRFSWZLFAMY-PSASIEDQSA-N 0 3 248.273 0.656 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H](C)C(C)(C)O)N(C)C ZINC000656195831 411200859 /nfs/dbraw/zinc/20/08/59/411200859.db2.gz WOXCYMNRXIJFHZ-IUCAKERBSA-N 0 3 231.340 0.395 20 0 BCADHN C[C@@H](NCC[C@@]1(O)CCCOC1)c1cn[nH]c1 ZINC000652326814 411201199 /nfs/dbraw/zinc/20/11/99/411201199.db2.gz NNGFELCYQZRSRQ-PWSUYJOCSA-N 0 3 239.319 0.992 20 0 BCADHN C[C@@H](CNC(=O)N(C)C[C@@H](O)C1CC1)N(C)C ZINC000656196660 411202026 /nfs/dbraw/zinc/20/20/26/411202026.db2.gz JHPGQYIWJGHBNO-GXSJLCMTSA-N 0 3 243.351 0.349 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H]([C@H](C)O)C1 ZINC000246224150 411203601 /nfs/dbraw/zinc/20/36/01/411203601.db2.gz ZHGKEJKEMFFBMK-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN O[C@@H]1COC[C@H]1N[C@@H]1COC2(CCC2)C1 ZINC000658027521 411205022 /nfs/dbraw/zinc/20/50/22/411205022.db2.gz CVWCQZJTJQZUOW-IVZWLZJFSA-N 0 3 213.277 0.047 20 0 BCADHN CC[C@@H](NCC(N)=O)[C@@H]1CCCCO1 ZINC000653880780 411207523 /nfs/dbraw/zinc/20/75/23/411207523.db2.gz RGGMVZNZHKTYAZ-BDAKNGLRSA-N 0 3 200.282 0.409 20 0 BCADHN C[C@]1(CN[C@@H]2CCCn3nccc32)CCC(=O)N1 ZINC000658033581 411208506 /nfs/dbraw/zinc/20/85/06/411208506.db2.gz YTCBNLSEPGQAQI-ZWNOBZJWSA-N 0 3 248.330 0.976 20 0 BCADHN O=C1NCCC[C@H]1CN[C@H]1CCCn2nccc21 ZINC000658034719 411209189 /nfs/dbraw/zinc/20/91/89/411209189.db2.gz NLFQCXJQUMALGK-QWRGUYRKSA-N 0 3 248.330 0.834 20 0 BCADHN O=C1NCCC[C@@H]1CN[C@H]1CCCn2nccc21 ZINC000658034717 411209238 /nfs/dbraw/zinc/20/92/38/411209238.db2.gz NLFQCXJQUMALGK-MNOVXSKESA-N 0 3 248.330 0.834 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@H](C)Cn1cncn1 ZINC000658037663 411213736 /nfs/dbraw/zinc/21/37/36/411213736.db2.gz YJWDAWXNZRPIDK-ZJUUUORDSA-N 0 3 239.323 0.169 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2ccnc(C)n2)C1 ZINC000048753730 411215357 /nfs/dbraw/zinc/21/53/57/411215357.db2.gz LMFNBOPKMZNDCP-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN CC(C)[C@@H]1CNCCN1C(=O)CN(C)C ZINC000062571271 411216377 /nfs/dbraw/zinc/21/63/77/411216377.db2.gz DKPWUCLAIHUVTG-JTQLQIEISA-N 0 3 213.325 0.004 20 0 BCADHN Cn1cc(CCN[C@H]2CCCn3nccc32)nn1 ZINC000658043919 411216279 /nfs/dbraw/zinc/21/62/79/411216279.db2.gz GGQOXCGKWDPLQL-NSHDSACASA-N 0 3 246.318 0.679 20 0 BCADHN Cn1cc(CCN[C@@H]2CCCn3nccc32)nn1 ZINC000658043918 411216506 /nfs/dbraw/zinc/21/65/06/411216506.db2.gz GGQOXCGKWDPLQL-LLVKDONJSA-N 0 3 246.318 0.679 20 0 BCADHN C[C@H](O)CN(CCN1CCO[C@@H](C)C1)C1CC1 ZINC000653902375 411217051 /nfs/dbraw/zinc/21/70/51/411217051.db2.gz RIIYUACJNKDDKQ-RYUDHWBXSA-N 0 3 242.363 0.552 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000310190117 411219190 /nfs/dbraw/zinc/21/91/90/411219190.db2.gz PUYKXQWPMKZWTN-UWJYBYFXSA-N 0 3 234.299 0.369 20 0 BCADHN C[C@H](O)CN(CCc1cncn1C)C1CC1 ZINC000653902500 411219690 /nfs/dbraw/zinc/21/96/90/411219690.db2.gz UYCPKQVTWWUPIR-JTQLQIEISA-N 0 3 223.320 0.808 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](C)Cn1ccnc1C ZINC000130368501 411221691 /nfs/dbraw/zinc/22/16/91/411221691.db2.gz HOGDPGBWRQLNOK-GXSJLCMTSA-N 0 3 238.335 0.681 20 0 BCADHN CO[C@@](C)(CO)CN[C@@H](C)c1cn(C)nc1C ZINC000655784436 411223098 /nfs/dbraw/zinc/22/30/98/411223098.db2.gz CMXREUGCNUDLIY-JOYOIKCWSA-N 0 3 241.335 0.777 20 0 BCADHN Cc1cnccc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000656273481 411223519 /nfs/dbraw/zinc/22/35/19/411223519.db2.gz FPLDXQHHZVJJNG-UONOGXRCSA-N 0 3 247.342 0.641 20 0 BCADHN COC[C@H](C)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000656273253 411224113 /nfs/dbraw/zinc/22/41/13/411224113.db2.gz AESNUXCVFZKUDM-GRYCIOLGSA-N 0 3 228.336 0.020 20 0 BCADHN CC[C@H](NC[C@](C)(CO)OC)c1cnn(C)c1 ZINC000655784601 411224522 /nfs/dbraw/zinc/22/45/22/411224522.db2.gz DIIGTVFLDWWPIG-NWDGAFQWSA-N 0 3 241.335 0.858 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)Cc1cn[nH]c1 ZINC000069763504 411224534 /nfs/dbraw/zinc/22/45/34/411224534.db2.gz QAZIRVNSFQSNLM-VIFPVBQESA-N 0 3 210.281 0.351 20 0 BCADHN NS(=O)(=O)[C@H]1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660127217 411247281 /nfs/dbraw/zinc/24/72/81/411247281.db2.gz AXRUIENEOXRAJQ-VLEAKVRGSA-N 0 3 244.360 0.395 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H](CO)C1CCC1 ZINC000658088801 411239461 /nfs/dbraw/zinc/23/94/61/411239461.db2.gz VPGKXPLNULUODX-PSASIEDQSA-N 0 3 235.349 0.170 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@H](CO)C1CCC1 ZINC000658088803 411240110 /nfs/dbraw/zinc/24/01/10/411240110.db2.gz VPGKXPLNULUODX-WCBMZHEXSA-N 0 3 235.349 0.170 20 0 BCADHN CCN1CC[C@@H](N(C)CC2(O)CCCC2)C1=O ZINC000660123782 411241908 /nfs/dbraw/zinc/24/19/08/411241908.db2.gz OJGLGLGYSXLXTB-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H]1CCCn2nccc21 ZINC000657911302 411165050 /nfs/dbraw/zinc/16/50/50/411165050.db2.gz YOSALFFEIJBUPM-DTWKUNHWSA-N 0 3 222.292 0.572 20 0 BCADHN C[C@@H](O)CN1CCN(C[C@@H]2CCSC2)CC1 ZINC000425982493 411167621 /nfs/dbraw/zinc/16/76/21/411167621.db2.gz XEGNJFCHQOERCL-NEPJUHHUSA-N 0 3 244.404 0.738 20 0 BCADHN CCCCN(C)S(=O)(=O)NCCNC1CC1 ZINC000054267132 411264221 /nfs/dbraw/zinc/26/42/21/411264221.db2.gz GYSDXIPATFDBHD-UHFFFAOYSA-N 0 3 249.380 0.305 20 0 BCADHN O=S(=O)(NCCNC1CC1)N1CCCCC1 ZINC000054267073 411264231 /nfs/dbraw/zinc/26/42/31/411264231.db2.gz DUIVNLUHDLDUPR-UHFFFAOYSA-N 0 3 247.364 0.059 20 0 BCADHN O=C(NCC[NH2+]C1CC1)c1ccccc1[O-] ZINC000054265806 411264342 /nfs/dbraw/zinc/26/43/42/411264342.db2.gz WLAOZKRZKALLEE-UHFFFAOYSA-N 0 3 220.272 0.874 20 0 BCADHN CN(C(=O)c1ccc(N)nc1)C1CCN(C)CC1 ZINC000050698441 411264509 /nfs/dbraw/zinc/26/45/09/411264509.db2.gz IGLKHDIBTVXZLZ-UHFFFAOYSA-N 0 3 248.330 0.830 20 0 BCADHN CC[C@@H](N)c1cn(-c2ccnn2C)nn1 ZINC000656456421 411265220 /nfs/dbraw/zinc/26/52/20/411265220.db2.gz BTGXRERLXPNUHY-SSDOTTSWSA-N 0 3 206.253 0.411 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H](C)C1(CO)CC1 ZINC000658153897 411267930 /nfs/dbraw/zinc/26/79/30/411267930.db2.gz JKWSQQRTZMUBII-RKDXNWHRSA-N 0 3 235.349 0.170 20 0 BCADHN CC(C)(N)c1cn(-c2ccnc(CO)c2)nn1 ZINC000656459113 411268877 /nfs/dbraw/zinc/26/88/77/411268877.db2.gz OIHXIVGZVUQLJQ-UHFFFAOYSA-N 0 3 233.275 0.348 20 0 BCADHN Cn1nncc1-n1cc([C@H](N)C(C)(C)C)nn1 ZINC000656462614 411270194 /nfs/dbraw/zinc/27/01/94/411270194.db2.gz HFMZERBWSUSQBD-VIFPVBQESA-N 0 3 235.295 0.442 20 0 BCADHN CCOC1CC(NCc2nc(COC)n[nH]2)C1 ZINC000658158173 411271170 /nfs/dbraw/zinc/27/11/70/411271170.db2.gz GVHQPUGCFHXTAA-UHFFFAOYSA-N 0 3 240.307 0.608 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)Cc1ncc[nH]1 ZINC000070645695 411271324 /nfs/dbraw/zinc/27/13/24/411271324.db2.gz JFUAIBGAMLKULK-SECBINFHSA-N 0 3 210.281 0.351 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)Cc1ncc[nH]1 ZINC000070645749 411271498 /nfs/dbraw/zinc/27/14/98/411271498.db2.gz JWGVMHOGCIKBKV-NSHDSACASA-N 0 3 224.308 0.886 20 0 BCADHN O=C1NCC[C@H]1CCN1CC[C@H](F)C1 ZINC000653731700 411272909 /nfs/dbraw/zinc/27/29/09/411272909.db2.gz HYCAZBZSPXPQRA-IUCAKERBSA-N 0 3 200.257 0.556 20 0 BCADHN CN(Cc1cnn(C)c1)[C@@H]1CCC[C@H]1O ZINC000226280820 411274165 /nfs/dbraw/zinc/27/41/65/411274165.db2.gz SPTCLMVDBMDRSI-GHMZBOCLSA-N 0 3 209.293 0.765 20 0 BCADHN C[C@]1(C(=O)N2CCCNCC2)C[C@H]1F ZINC000307145808 411277354 /nfs/dbraw/zinc/27/73/54/411277354.db2.gz MSSUUXUMPGIPSW-SCZZXKLOSA-N 0 3 200.257 0.556 20 0 BCADHN C[C@@]1(C(=O)N2CCCNCC2)C[C@H]1F ZINC000307145802 411277618 /nfs/dbraw/zinc/27/76/18/411277618.db2.gz MSSUUXUMPGIPSW-PSASIEDQSA-N 0 3 200.257 0.556 20 0 BCADHN CCOCCN1CCC(c2nnc(N)o2)CC1 ZINC000639739353 411277919 /nfs/dbraw/zinc/27/79/19/411277919.db2.gz NIICAUZLFPWTJA-UHFFFAOYSA-N 0 3 240.307 0.868 20 0 BCADHN NS(=O)(=O)[C@@H]1CCCN(CC2CC=CC2)C1 ZINC000660169979 411278188 /nfs/dbraw/zinc/27/81/88/411278188.db2.gz NFNRTHMALOYSJH-LLVKDONJSA-N 0 3 244.360 0.706 20 0 BCADHN CC1(C)[C@@H]2CN(C(=O)CN3CCNCC3)C[C@@H]21 ZINC000379560212 411280286 /nfs/dbraw/zinc/28/02/86/411280286.db2.gz QSXCOMWSTYOCOD-PHIMTYICSA-N 0 3 237.347 0.006 20 0 BCADHN C[C@H]1C[C@H](Nc2ncnn2C)CCN1C ZINC000653464966 411281794 /nfs/dbraw/zinc/28/17/94/411281794.db2.gz NSGUFWDHEIQNEZ-DTWKUNHWSA-N 0 3 209.297 0.132 20 0 BCADHN CCn1cc(CN[C@@H]2CN(C3CC3)C[C@@H]2C)nn1 ZINC000658176168 411282599 /nfs/dbraw/zinc/28/25/99/411282599.db2.gz MHKBKQOZVAQIDG-GXFFZTMASA-N 0 3 249.362 0.870 20 0 BCADHN CN1C(=O)C[C@H](N2CCC[C@@H](CCF)C2)C1=O ZINC000656477975 411284338 /nfs/dbraw/zinc/28/43/38/411284338.db2.gz PIBNXUGKVONXHG-UWVGGRQHSA-N 0 3 242.294 0.815 20 0 BCADHN CN(C[C@H]1CCCN1C)c1ncnn1C ZINC000653466682 411285700 /nfs/dbraw/zinc/28/57/00/411285700.db2.gz RMUYEAXOLPDUQQ-SECBINFHSA-N 0 3 209.297 0.346 20 0 BCADHN OCCN(CCO[C@@H]1CC1(F)F)C1CC1 ZINC000659841045 411329495 /nfs/dbraw/zinc/32/94/95/411329495.db2.gz KUCHUSNYSDVTPO-SECBINFHSA-N 0 3 221.247 0.867 20 0 BCADHN CCN1C[C@@H](C)N(c2ncnn2C)C[C@H]1C ZINC000653471038 411292838 /nfs/dbraw/zinc/29/28/38/411292838.db2.gz XHKMTSHFFQAMHY-NXEZZACHSA-N 0 3 223.324 0.734 20 0 BCADHN CCN(C(=O)N[C@H](C)COC)[C@@H]1CCN(C)C1 ZINC000656540081 411293727 /nfs/dbraw/zinc/29/37/27/411293727.db2.gz CTCBKICNCNMRTP-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000155135154 411293963 /nfs/dbraw/zinc/29/39/63/411293963.db2.gz CDSHBRLUOJNWAR-MLXNANBUSA-N 0 3 226.301 0.710 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H](CO)CCF)N(C)C ZINC000652913663 411329701 /nfs/dbraw/zinc/32/97/01/411329701.db2.gz FDOWGXXAWOEDGV-UWVGGRQHSA-N 0 3 234.315 0.409 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2(N)CCC2)[C@@H](C)O1 ZINC000384529805 411295078 /nfs/dbraw/zinc/29/50/78/411295078.db2.gz CLNBBUVVOVMKCA-HLTSFMKQSA-N 0 3 212.293 0.550 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000658216698 411296636 /nfs/dbraw/zinc/29/66/36/411296636.db2.gz AJPWBIMKNZNLLU-GMTAPVOTSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H]1CC[C@@H](CN2CCC(CO)(CO)C2)O1 ZINC000661950699 411330187 /nfs/dbraw/zinc/33/01/87/411330187.db2.gz MWPLFWRXNUTKAO-MNOVXSKESA-N 0 3 229.320 0.231 20 0 BCADHN CO[C@@H](C)CNC(=O)NCCN1CCCCC1 ZINC000656546192 411300418 /nfs/dbraw/zinc/30/04/18/411300418.db2.gz NMJHAIRZWLFTPL-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN COC[C@@H](NCc1cncn1C)C1CC1 ZINC000121336721 411300808 /nfs/dbraw/zinc/30/08/08/411300808.db2.gz DWVRJOSUCQSODN-LLVKDONJSA-N 0 3 209.293 0.935 20 0 BCADHN CO[C@H](C)CNC(=O)NCCN1CCCCC1 ZINC000656547104 411301482 /nfs/dbraw/zinc/30/14/82/411301482.db2.gz NMJHAIRZWLFTPL-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN CC[C@@H]1CO[C@H](C)CN1C[C@H]1CNC(=O)C1 ZINC000659841807 411330810 /nfs/dbraw/zinc/33/08/10/411330810.db2.gz UYOUVAPZYRJNOH-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN CN1CC=C(CNc2ccc(C#N)nn2)CC1 ZINC000396990062 411306536 /nfs/dbraw/zinc/30/65/36/411306536.db2.gz OJUJPUNRBULRNI-UHFFFAOYSA-N 0 3 229.287 1.022 20 0 BCADHN Cc1noc(CN(C)C(=O)[C@@H](N)C(C)C)n1 ZINC000655526570 411307081 /nfs/dbraw/zinc/30/70/81/411307081.db2.gz BAWJMGXDSFKYKG-VIFPVBQESA-N 0 3 226.280 0.320 20 0 BCADHN Cc1noc(CN(C)C(=O)[C@H](N)C(C)C)n1 ZINC000655526569 411307318 /nfs/dbraw/zinc/30/73/18/411307318.db2.gz BAWJMGXDSFKYKG-SECBINFHSA-N 0 3 226.280 0.320 20 0 BCADHN CCN1CCN(C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000659826674 411308478 /nfs/dbraw/zinc/30/84/78/411308478.db2.gz KAEKPMDILVMPQO-STQMWFEESA-N 0 3 242.363 0.675 20 0 BCADHN CCN(C(=O)CNCCOC)[C@@H]1CCCOC1 ZINC000402689207 411308471 /nfs/dbraw/zinc/30/84/71/411308471.db2.gz LAXIVFYIYZBSIU-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN O=c1cc(C2CCC2)ncn1C[C@@H]1CNCCO1 ZINC000656611204 411309501 /nfs/dbraw/zinc/30/95/01/411309501.db2.gz AXWADMIISRXEFY-NSHDSACASA-N 0 3 249.314 0.499 20 0 BCADHN C[C@H](O)[C@H]1CCCN1CC(=O)N1CCCC1 ZINC000661768967 411309754 /nfs/dbraw/zinc/30/97/54/411309754.db2.gz ZYFBEBVDNRYVNK-WDEREUQCSA-N 0 3 226.320 0.454 20 0 BCADHN CC(C)(C)c1noc(OC[C@H]2CNCCO2)n1 ZINC000656612442 411310210 /nfs/dbraw/zinc/31/02/10/411310210.db2.gz YZBBGYHQWZNUPG-MRVPVSSYSA-N 0 3 241.291 0.734 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@@H](CO)CC1CC1 ZINC000658245980 411311045 /nfs/dbraw/zinc/31/10/45/411311045.db2.gz BFTVLOUAWLKUPR-ONGXEEELSA-N 0 3 249.376 0.418 20 0 BCADHN CCn1ncnc1CNC[C@@H](C)N(C)C1CC1 ZINC000218530189 411311183 /nfs/dbraw/zinc/31/11/83/411311183.db2.gz PCYVGHDNTKQCTO-SNVBAGLBSA-N 0 3 237.351 0.870 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000658257650 411317423 /nfs/dbraw/zinc/31/74/23/411317423.db2.gz ZCKKJAKTTCIHBL-OPRDCNLKSA-N 0 3 247.360 0.313 20 0 BCADHN CCN(C(=O)[C@@H](C)N)[C@H]1CCCOC1 ZINC000402851243 411318673 /nfs/dbraw/zinc/31/86/73/411318673.db2.gz SREJKBCTRAOPGS-BDAKNGLRSA-N 0 3 200.282 0.361 20 0 BCADHN Cc1cncc(CCN2CCC(O)CC2)n1 ZINC000402900845 411320909 /nfs/dbraw/zinc/32/09/09/411320909.db2.gz HEEMDNPBTIAFHG-UHFFFAOYSA-N 0 3 221.304 0.784 20 0 BCADHN CCN1CC[C@@H](NC2CCN(OC)CC2)C1=O ZINC000656675310 411321336 /nfs/dbraw/zinc/32/13/36/411321336.db2.gz CEJAOIBOJXIXMO-LLVKDONJSA-N 0 3 241.335 0.223 20 0 BCADHN Cc1cncc(CCN(CCO)CCCO)n1 ZINC000402892981 411321549 /nfs/dbraw/zinc/32/15/49/411321549.db2.gz GLGWVNTXZUPMMT-UHFFFAOYSA-N 0 3 239.319 0.004 20 0 BCADHN Cc1cncc(CCN2CCC[C@@H](O)C2)n1 ZINC000402939966 411322315 /nfs/dbraw/zinc/32/23/15/411322315.db2.gz ZYMJPOOXFFMVML-GFCCVEGCSA-N 0 3 221.304 0.784 20 0 BCADHN Cc1cncc(CCN(C)[C@H](C)CO)n1 ZINC000402939126 411322849 /nfs/dbraw/zinc/32/28/49/411322849.db2.gz ZISOPXGMQANLMQ-SNVBAGLBSA-N 0 3 209.293 0.640 20 0 BCADHN COCCC1(C)CN(C[C@]2(O)CCCOC2)C1 ZINC000656700978 411325697 /nfs/dbraw/zinc/32/56/97/411325697.db2.gz YLOHAZCIVHZLRK-CYBMUJFWSA-N 0 3 243.347 0.886 20 0 BCADHN CCN1CC[C@H](N(C)C[C@@H]2CCC[C@@H]2O)C1=O ZINC000660127870 411249227 /nfs/dbraw/zinc/24/92/27/411249227.db2.gz IJHNDGPSRJSDJN-SRVKXCTJSA-N 0 3 240.347 0.700 20 0 BCADHN CN(C)CCN[C@@H]1CCCn2ccnc21 ZINC000655768803 411250521 /nfs/dbraw/zinc/25/05/21/411250521.db2.gz PHZAJWLMKHTBBI-SNVBAGLBSA-N 0 3 208.309 0.869 20 0 BCADHN CO[C@H](C)CNC(=O)N1CCN2CCC1CC2 ZINC000661706984 411250700 /nfs/dbraw/zinc/25/07/00/411250700.db2.gz ITMASJAGCSCTQZ-SNVBAGLBSA-N 0 3 241.335 0.511 20 0 BCADHN O=C1NCCCC[C@@H]1N[C@H]1COC2(CCC2)C1 ZINC000656683549 411326394 /nfs/dbraw/zinc/32/63/94/411326394.db2.gz IKRBPKICYJFPQO-MNOVXSKESA-N 0 3 238.331 0.956 20 0 BCADHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NC/C=C\CO ZINC000658132689 411256352 /nfs/dbraw/zinc/25/63/52/411256352.db2.gz AZCQEGYQEPWWAM-NRFYAWERSA-N 0 3 247.360 0.480 20 0 BCADHN CN(C)CCc1cn(Cc2cccnc2)nn1 ZINC000656439643 411257417 /nfs/dbraw/zinc/25/74/17/411257417.db2.gz ZGNDERQCDDZBMN-UHFFFAOYSA-N 0 3 231.303 0.826 20 0 BCADHN O=C1NCC[C@@H]1N[C@H]1COC2(CCC2)C1 ZINC000656683869 411326882 /nfs/dbraw/zinc/32/68/82/411326882.db2.gz PJFIXFJTOVVKAL-BDAKNGLRSA-N 0 3 210.277 0.176 20 0 BCADHN NC1(C(=O)NCCO[C@@H]2CC2(F)F)CC1 ZINC000659346258 411372650 /nfs/dbraw/zinc/37/26/50/411372650.db2.gz VZLCGAUMTBVDBG-ZCFIWIBFSA-N 0 3 220.219 0.018 20 0 BCADHN Cn1nncc1CN1CC[C@H]2COC[C@@H]2C1 ZINC000662033232 411349543 /nfs/dbraw/zinc/34/95/43/411349543.db2.gz JCGGJFVUZCSRPA-UWVGGRQHSA-N 0 3 222.292 0.283 20 0 BCADHN Cc1ncc(C)c(NCCOCCN(C)C)n1 ZINC000576598753 411350088 /nfs/dbraw/zinc/35/00/88/411350088.db2.gz XZNSRNYNHMYMNE-UHFFFAOYSA-N 0 3 238.335 1.084 20 0 BCADHN CCCN(C)CC(=O)NCCC1(CO)CCC1 ZINC000652935794 411350408 /nfs/dbraw/zinc/35/04/08/411350408.db2.gz XEIWVFZSMKMEAX-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN Cn1ncc2c1CCC[C@H]2N[C@H]1C[C@H](O)C1 ZINC000658350516 411352161 /nfs/dbraw/zinc/35/21/61/411352161.db2.gz PYJOFTUOCPUITQ-FXPVBKGRSA-N 0 3 221.304 0.910 20 0 BCADHN CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccco1 ZINC000658407191 411352559 /nfs/dbraw/zinc/35/25/59/411352559.db2.gz YSMBHCWNXQVDDP-SECBINFHSA-N 0 3 246.332 0.931 20 0 BCADHN CC(C)NCC(=O)NCCO[C@H]1CC1(F)F ZINC000659344602 411372875 /nfs/dbraw/zinc/37/28/75/411372875.db2.gz AAKNKYRBRAVFCE-QMMMGPOBSA-N 0 3 236.262 0.525 20 0 BCADHN CCN(C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000658407833 411353526 /nfs/dbraw/zinc/35/35/26/411353526.db2.gz DQEKLDLZJSZUTR-HTQZYQBOSA-N 0 3 203.261 0.429 20 0 BCADHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000658408392 411354239 /nfs/dbraw/zinc/35/42/39/411354239.db2.gz FWARVRDQKXTJMD-ZCFIWIBFSA-N 0 3 247.320 0.178 20 0 BCADHN CC1(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000658408533 411354405 /nfs/dbraw/zinc/35/44/05/411354405.db2.gz UUXVYJJSRBQAJF-HTQZYQBOSA-N 0 3 236.312 0.240 20 0 BCADHN COC1CC(CCNC(=O)CNC(C)C)C1 ZINC000659328832 411359054 /nfs/dbraw/zinc/35/90/54/411359054.db2.gz JGOUYENFPLJNME-UHFFFAOYSA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@@H]1CN(C(=O)C2(N)CC2)[C@@H](C)CO1 ZINC000403771144 411359428 /nfs/dbraw/zinc/35/94/28/411359428.db2.gz RINFOJGLBKHXDR-DTWKUNHWSA-N 0 3 212.293 0.504 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000130627554 411359520 /nfs/dbraw/zinc/35/95/20/411359520.db2.gz DQDYIIQQAWFBRV-SNVBAGLBSA-N 0 3 234.303 0.403 20 0 BCADHN CCN(CCO)CCc1nc(C(C)=O)c(C)[nH]1 ZINC000659876829 411360475 /nfs/dbraw/zinc/36/04/75/411360475.db2.gz AKWOCAOYQZWTLF-UHFFFAOYSA-N 0 3 239.319 0.777 20 0 BCADHN CCN(CCO)CCc1nc(C)c(C(C)=O)[nH]1 ZINC000659876829 411360478 /nfs/dbraw/zinc/36/04/78/411360478.db2.gz AKWOCAOYQZWTLF-UHFFFAOYSA-N 0 3 239.319 0.777 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1cccc(N)c1 ZINC000659332441 411361929 /nfs/dbraw/zinc/36/19/29/411361929.db2.gz BBPJAJMZIZMDPZ-LLVKDONJSA-N 0 3 233.315 0.883 20 0 BCADHN CO[C@H](CNC(=O)[C@@H](N)C(C)C)[C@@H]1CCOC1 ZINC000658930468 411362375 /nfs/dbraw/zinc/36/23/75/411362375.db2.gz LRFSTUKAVFUUJM-MXWKQRLJSA-N 0 3 244.335 0.137 20 0 BCADHN COC[C@H](CCNC(=O)[C@@H](N)C(C)C)OC ZINC000658930919 411362618 /nfs/dbraw/zinc/36/26/18/411362618.db2.gz MJOXYQOLLGZFDI-UWVGGRQHSA-N 0 3 232.324 0.137 20 0 BCADHN CC[C@@H]1CO[C@@H](CC)CN1C(=O)[C@@H](C)N ZINC000403871889 411362978 /nfs/dbraw/zinc/36/29/78/411362978.db2.gz RTXULCDQGXTTPC-BBBLOLIVSA-N 0 3 214.309 0.750 20 0 BCADHN COCCNCC(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000659334058 411363149 /nfs/dbraw/zinc/36/31/49/411363149.db2.gz CKSSKOZISMAAAQ-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCOC1(C)C ZINC000658968722 411363838 /nfs/dbraw/zinc/36/38/38/411363838.db2.gz AHBVMAIOYQODCN-UWVGGRQHSA-N 0 3 228.336 0.901 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCO[C@@H]1CC1(F)F ZINC000658946904 411363865 /nfs/dbraw/zinc/36/38/65/411363865.db2.gz MFUXQGONOFDGFE-SFYZADRCSA-N 0 3 236.262 0.510 20 0 BCADHN CC[C@H]1CN(C(=O)CNCCOC)[C@@H](C)CO1 ZINC000403905898 411365271 /nfs/dbraw/zinc/36/52/71/411365271.db2.gz AXMRGZMDDLTOIV-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@H](C)[C@@](C)(CO)C1 ZINC000662138793 411365282 /nfs/dbraw/zinc/36/52/82/411365282.db2.gz XNZDEPJZVDKKLV-GMXVVIOVSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H]1CN(Cc2cn[nH]c2)C[C@]1(C)CO ZINC000662141580 411365318 /nfs/dbraw/zinc/36/53/18/411365318.db2.gz IDBFHKOQGZPIKQ-MWLCHTKSSA-N 0 3 209.293 0.860 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662138825 411365388 /nfs/dbraw/zinc/36/53/88/411365388.db2.gz XNZDEPJZVDKKLV-NTZNESFSSA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@@H]1CN(C(=O)CNCCOC)[C@@H](C)CO1 ZINC000403905899 411365752 /nfs/dbraw/zinc/36/57/52/411365752.db2.gz AXMRGZMDDLTOIV-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN COC[C@@H](CCNC(=O)[C@H]1NCC1(C)C)OC ZINC000659337758 411365722 /nfs/dbraw/zinc/36/57/22/411365722.db2.gz SSMIIPHXCNWQLT-NXEZZACHSA-N 0 3 244.335 0.152 20 0 BCADHN Cn1ccc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)n1 ZINC000658990131 411366468 /nfs/dbraw/zinc/36/64/68/411366468.db2.gz KVDOQRVVKDWKQO-HTQZYQBOSA-N 0 3 241.270 0.323 20 0 BCADHN CC[C@H](C(=O)N(C)[C@@H](C)CCO)N(C)C ZINC000652959487 411366590 /nfs/dbraw/zinc/36/65/90/411366590.db2.gz FKFNHNHRCOQQSO-VHSXEESVSA-N 0 3 216.325 0.556 20 0 BCADHN CC[C@@H]1COC(C)(C)CN1C[C@H](O)COC ZINC000403947360 411368375 /nfs/dbraw/zinc/36/83/75/411368375.db2.gz KRBMJUBDTOMFOX-MNOVXSKESA-N 0 3 231.336 0.883 20 0 BCADHN CCN1CC[C@@H](N2CCC(C)(CO)CC2)C1=O ZINC000660283440 411371850 /nfs/dbraw/zinc/37/18/50/411371850.db2.gz NNBLYPVHOGQFDK-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@@H](CO)CCF ZINC000652917605 411338631 /nfs/dbraw/zinc/33/86/31/411338631.db2.gz AMFWISJQDISLKQ-GHMZBOCLSA-N 0 3 246.326 0.698 20 0 BCADHN CN(C)C1(CNC(=O)NC2CC2)CCC1 ZINC000164953081 411338809 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ZINC000275190201 168180434 /nfs/dbraw/zinc/18/04/34/168180434.db2.gz YLGBRHRLAPYPQA-UHFFFAOYSA-N 0 3 248.330 0.938 20 0 BCADHN CC1CCN(CCNC(=O)N(C)CCO)CC1 ZINC000305739100 168180841 /nfs/dbraw/zinc/18/08/41/168180841.db2.gz QYQGWDVKGOTYNF-UHFFFAOYSA-N 0 3 243.351 0.352 20 0 BCADHN CC[C@H](C(N)=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000656916371 411388037 /nfs/dbraw/zinc/38/80/37/411388037.db2.gz ONVKYXNIMUPJQP-MXWKQRLJSA-N 0 3 238.331 0.751 20 0 BCADHN CCC(=O)CCN1CC[C@@]2(CNC(=O)C2)C1 ZINC000366132275 168202664 /nfs/dbraw/zinc/20/26/64/168202664.db2.gz VSLPYSHKZGOPFR-GFCCVEGCSA-N 0 3 224.304 0.568 20 0 BCADHN CCC(=O)CCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000372845663 168205195 /nfs/dbraw/zinc/20/51/95/168205195.db2.gz GREHTGUKCIKLNH-MVWJERBFSA-N 0 3 238.331 0.941 20 0 BCADHN CCC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000363656921 168221054 /nfs/dbraw/zinc/22/10/54/168221054.db2.gz RIFZPXYQSRQWNK-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCN2CCCC2)C1 ZINC000654407809 411391124 /nfs/dbraw/zinc/39/11/24/411391124.db2.gz UNKSTXJVJZGIHC-GFCCVEGCSA-N 0 3 239.363 0.540 20 0 BCADHN CCC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000336328714 168226836 /nfs/dbraw/zinc/22/68/36/168226836.db2.gz LYOQPKILGMYTJU-DTWKUNHWSA-N 0 3 216.350 0.900 20 0 BCADHN CCC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000122095421 168230811 /nfs/dbraw/zinc/23/08/11/168230811.db2.gz TWJUKZQBKBVTEU-LLVKDONJSA-N 0 3 227.352 0.396 20 0 BCADHN OCc1ccc(CNCC[C@@]2(O)CCOC2)o1 ZINC000404217798 411383734 /nfs/dbraw/zinc/38/37/34/411383734.db2.gz IQZLEVOFEWHLFO-GFCCVEGCSA-N 0 3 241.287 0.403 20 0 BCADHN O[C@]1(CCNCc2ccco2)CCOC1 ZINC000404219743 411383891 /nfs/dbraw/zinc/38/38/91/411383891.db2.gz WOQQRQWJJFDWFI-LLVKDONJSA-N 0 3 211.261 0.911 20 0 BCADHN O=C1C[C@@H](CN2CCN(C3CCC3)CC2)CN1 ZINC000659929091 411384980 /nfs/dbraw/zinc/38/49/80/411384980.db2.gz PPFBXZLKKSCVSS-LLVKDONJSA-N 0 3 237.347 0.293 20 0 BCADHN CCc1cc(NC(=O)CNC(C)C)n(C)n1 ZINC000659277564 411386752 /nfs/dbraw/zinc/38/67/52/411386752.db2.gz 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IJACGGQONDCLDR-LBPRGKRZSA-N 0 3 249.314 0.037 20 0 BCADHN CO[C@@H](CNC(=O)CNC(C)C)[C@@H]1CCOC1 ZINC000659332758 411396560 /nfs/dbraw/zinc/39/65/60/411396560.db2.gz LXGYBBSVHURADQ-MNOVXSKESA-N 0 3 244.335 0.152 20 0 BCADHN CN(C)c1ncc(CN[C@@H]2CCOC2)cn1 ZINC000309441415 411397221 /nfs/dbraw/zinc/39/72/21/411397221.db2.gz IPWXSQUEKPNKLM-SNVBAGLBSA-N 0 3 222.292 0.421 20 0 BCADHN COCC1(N(C)C(=O)[C@@H]2NCC2(C)C)CC1 ZINC000659336631 411397311 /nfs/dbraw/zinc/39/73/11/411397311.db2.gz JEHYCSQETSWIKQ-VIFPVBQESA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@H](C)CCNC(=O)CCOC1CNC1 ZINC000659340083 411398198 /nfs/dbraw/zinc/39/81/98/411398198.db2.gz GVKWTIQZUPPJJP-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN O=C(CNC1CC1)NCCO[C@H]1CC1(F)F ZINC000659346446 411400610 /nfs/dbraw/zinc/40/06/10/411400610.db2.gz ZIYFDJBCZSLSTR-QMMMGPOBSA-N 0 3 234.246 0.279 20 0 BCADHN CO[C@H](C)CNC(=O)C1(N)CC2(CCC2)C1 ZINC000659345145 411401116 /nfs/dbraw/zinc/40/11/16/411401116.db2.gz HIDWXVVOUSTHLY-SECBINFHSA-N 0 3 226.320 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ZINC000660793287 411636046 /nfs/dbraw/zinc/63/60/46/411636046.db2.gz SDHKQAANSDVJIE-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CN(C)C(=O)[C@H]1CCN(Cc2cn[nH]c2)C1 ZINC000660801822 411636990 /nfs/dbraw/zinc/63/69/90/411636990.db2.gz SZEKISVDTBYCGJ-JTQLQIEISA-N 0 3 222.292 0.320 20 0 BCADHN CCS(=O)(=O)C1(CNCC2(O)CCC2)CC1 ZINC000663363900 411637345 /nfs/dbraw/zinc/63/73/45/411637345.db2.gz HNWQRLCMODSKBQ-UHFFFAOYSA-N 0 3 247.360 0.458 20 0 BCADHN Cc1nc([C@@H]2CCN(Cc3cc[nH]n3)C2)n[nH]1 ZINC000660806272 411639084 /nfs/dbraw/zinc/63/90/84/411639084.db2.gz RMZMYTVQINCTFL-SECBINFHSA-N 0 3 232.291 0.826 20 0 BCADHN Cc1nnc([C@@H]2CCN(Cc3cc[nH]n3)C2)[nH]1 ZINC000660806272 411639089 /nfs/dbraw/zinc/63/90/89/411639089.db2.gz RMZMYTVQINCTFL-SECBINFHSA-N 0 3 232.291 0.826 20 0 BCADHN Cc1nocc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000660805501 411640125 /nfs/dbraw/zinc/64/01/25/411640125.db2.gz NWSWSMPYDSRZGC-CMPLNLGQSA-N 0 3 240.303 0.860 20 0 BCADHN CO[C@@]1(C)C[C@H]1NC(=O)NC1CCN(C)CC1 ZINC000660821814 411647165 /nfs/dbraw/zinc/64/71/65/411647165.db2.gz KJJPNCXKOHIIHQ-PWSUYJOCSA-N 0 3 241.335 0.557 20 0 BCADHN COc1cccc(CNCCC(N)=O)c1C ZINC000663372728 411640646 /nfs/dbraw/zinc/64/06/46/411640646.db2.gz PNQCLVREYBDNHJ-UHFFFAOYSA-N 0 3 222.288 0.969 20 0 BCADHN C[C@@](O)(CN[C@H]1C[C@H](O)C1)C(F)(F)F ZINC000663375519 411641324 /nfs/dbraw/zinc/64/13/24/411641324.db2.gz UGEHITHGYOROKU-FSDSQADBSA-N 0 3 213.199 0.413 20 0 BCADHN C[C@@H]1C[C@H](N2C[C@@H](C)O[C@H](CO)C2)CCO1 ZINC000660389059 411577349 /nfs/dbraw/zinc/57/73/49/411577349.db2.gz PICXGWDPBROFMM-KKOKHZNYSA-N 0 3 229.320 0.636 20 0 BCADHN NC(=O)[C@@]1(O)CCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000660387908 411577394 /nfs/dbraw/zinc/57/73/94/411577394.db2.gz NNAWMAGCRLPJBX-YRGRVCCFSA-N 0 3 246.310 0.465 20 0 BCADHN COC[C@@H](CN1CCN(C)[C@H](C(C)C)C1)OC ZINC000660409458 411580554 /nfs/dbraw/zinc/58/05/54/411580554.db2.gz WZBIJDVKBUWUDX-OLZOCXBDSA-N 0 3 244.379 0.920 20 0 BCADHN CO[C@@H]1CN([C@H]2COC(C)(C)C2)C[C@@H]1OC ZINC000660407987 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/nfs/dbraw/zinc/59/11/11/411591111.db2.gz ONPXBZQWEGNWAS-WCQGTBRESA-N 0 3 240.347 0.916 20 0 BCADHN CN(CCCO)CCO[C@@H]1CC1(F)F ZINC000660477369 411591334 /nfs/dbraw/zinc/59/13/34/411591334.db2.gz PEYUKRHYYHKNFX-MRVPVSSYSA-N 0 3 209.236 0.725 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCCO[C@@H]1CC1(F)F ZINC000660477584 411591728 /nfs/dbraw/zinc/59/17/28/411591728.db2.gz KMUNPRGDFCBIPX-IWSPIJDZSA-N 0 3 248.273 0.525 20 0 BCADHN CCOC[C@H](O)CN1CCC([C@H](C)O)CC1 ZINC000226657736 170450038 /nfs/dbraw/zinc/45/00/38/170450038.db2.gz SGVNUAAGTXZHMS-CMPLNLGQSA-N 0 3 231.336 0.477 20 0 BCADHN CO[C@@]1(C)C[C@H]1NCc1cnc(N(C)C)n1C ZINC000657789229 411596586 /nfs/dbraw/zinc/59/65/86/411596586.db2.gz CURTVNQSWXQIEB-PWSUYJOCSA-N 0 3 238.335 0.753 20 0 BCADHN C[C@H](CN[C@H]1C[C@@H](C)O[C@H]1C)S(C)(=O)=O ZINC000657814240 411604154 /nfs/dbraw/zinc/60/41/54/411604154.db2.gz BEHNWWQOGPNKKA-IMSYWVGJSA-N 0 3 235.349 0.575 20 0 BCADHN Cc1nc(CN2C[C@H](O)[C@@H](N(C)C)C2)c(C)o1 ZINC000660589549 411604493 /nfs/dbraw/zinc/60/44/93/411604493.db2.gz HHKULNDCAVASRT-RYUDHWBXSA-N 0 3 239.319 0.398 20 0 BCADHN Cc1nocc1CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000660589687 411604568 /nfs/dbraw/zinc/60/45/68/411604568.db2.gz KPWVYEKDAFTROO-QWRGUYRKSA-N 0 3 225.292 0.090 20 0 BCADHN CN(C)[C@H]1CN([C@@H]2COC(C)(C)C2)C[C@@H]1O ZINC000660588695 411604699 /nfs/dbraw/zinc/60/46/99/411604699.db2.gz PUDKRUYJVZIZAE-DCAQKATOSA-N 0 3 228.336 0.161 20 0 BCADHN CCN(CCc1cn[nH]n1)[C@@H]1CCOC1 ZINC000660598149 411605972 /nfs/dbraw/zinc/60/59/72/411605972.db2.gz XGHVRRZGXHSPLT-SNVBAGLBSA-N 0 3 210.281 0.458 20 0 BCADHN COC[C@H](CN(C)[C@@H]1CCC(=O)N(C)C1)OC ZINC000660623680 411608756 /nfs/dbraw/zinc/60/87/56/411608756.db2.gz PZVLLBBXKWJYPW-MNOVXSKESA-N 0 3 244.335 0.200 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@H](COC)OC ZINC000660643616 411611183 /nfs/dbraw/zinc/61/11/83/411611183.db2.gz AULCOLIGCIHOJX-NWDGAFQWSA-N 0 3 230.352 0.674 20 0 BCADHN c1cc2n(n1)CCC[C@H]2NC[C@@H]1COCCO1 ZINC000657845800 411611472 /nfs/dbraw/zinc/61/14/72/411611472.db2.gz XWCLCHBAKYCCSM-GHMZBOCLSA-N 0 3 237.303 0.723 20 0 BCADHN CCN1CC[C@@H](N2CCC[C@H](O)CC2)C1=O ZINC000660647181 411611700 /nfs/dbraw/zinc/61/17/00/411611700.db2.gz PEKNQGHWFXWAPI-WDEREUQCSA-N 0 3 226.320 0.454 20 0 BCADHN COC[C@H](CN1C[C@@H](C)N(C)[C@@H](C)C1)OC ZINC000660653459 411613106 /nfs/dbraw/zinc/61/31/06/411613106.db2.gz FDWKXLMNYXLFJO-TUAOUCFPSA-N 0 3 230.352 0.672 20 0 BCADHN CN(C)C[C@H](O)CN[C@@H]1CCCn2nccc21 ZINC000657876517 411614755 /nfs/dbraw/zinc/61/47/55/411614755.db2.gz XLDDVCQMNIJSCB-GHMZBOCLSA-N 0 3 238.335 0.230 20 0 BCADHN CCS(=O)(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000663312495 411621650 /nfs/dbraw/zinc/62/16/50/411621650.db2.gz YCYKKJRISCZPTM-YFKPBYRVSA-N 0 3 234.243 0.158 20 0 BCADHN CC(C)[C@H](O)CN1CCN(CCO)C[C@@H]1C ZINC000660759036 411621938 /nfs/dbraw/zinc/62/19/38/411621938.db2.gz DEVYYLOIKXEVQD-NWDGAFQWSA-N 0 3 230.352 0.002 20 0 BCADHN CN1CCCN(c2cc(CO)c(F)cn2)CC1 ZINC000663315086 411622513 /nfs/dbraw/zinc/62/25/13/411622513.db2.gz HNMIDULAAJSBGX-UHFFFAOYSA-N 0 3 239.294 0.855 20 0 BCADHN Cc1cc(NC[C@@H]2CSCCN2)ncn1 ZINC000641687644 411651145 /nfs/dbraw/zinc/65/11/45/411651145.db2.gz REQABWZLOFHBCT-SECBINFHSA-N 0 3 224.333 0.902 20 0 BCADHN CCN1CC[C@H](N(C)C[C@H]2CCCN2C)C1=O ZINC000660834943 411651153 /nfs/dbraw/zinc/65/11/53/411651153.db2.gz BPPGEOCKEVIVMF-NEPJUHHUSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@H]1CN(CCN(C)CCCCO)C[C@H](C)O1 ZINC000314328906 411659344 /nfs/dbraw/zinc/65/93/44/411659344.db2.gz FWFYIDAEPYJDBO-STQMWFEESA-N 0 3 244.379 0.800 20 0 BCADHN CCN1CCC(NC(=O)NC/C=C/CO)CC1 ZINC000663454417 411660653 /nfs/dbraw/zinc/66/06/53/411660653.db2.gz LZWBVWMMUGPTSJ-ONEGZZNKSA-N 0 3 241.335 0.318 20 0 BCADHN C[C@H]1C[C@@H](N[C@H]2CCNC2=O)CN1C1CC1 ZINC000663458131 411661099 /nfs/dbraw/zinc/66/10/99/411661099.db2.gz UCHFLIPXLXIMIM-NGZCFLSTSA-N 0 3 223.320 0.090 20 0 BCADHN O=C1NCC[C@@H]1N[C@@H]1CCN(c2ccccc2)C1 ZINC000663456506 411661449 /nfs/dbraw/zinc/66/14/49/411661449.db2.gz JKDOHFYBKFTPQS-YPMHNXCESA-N 0 3 245.326 0.743 20 0 BCADHN CCO[C@H]1C[C@H](N[C@H]2CCNC2=O)C1(C)C ZINC000663458550 411662751 /nfs/dbraw/zinc/66/27/51/411662751.db2.gz YKOQCNBIMFLVSH-GUBZILKMSA-N 0 3 226.320 0.668 20 0 BCADHN COCc1nnc(NC[C@H](C)N(C)C)s1 ZINC000336721427 411662872 /nfs/dbraw/zinc/66/28/72/411662872.db2.gz DMFOAOZVCBPPIH-ZETCQYMHSA-N 0 3 230.337 1.047 20 0 BCADHN O=C(c1ccccc1)N1CCOC2(CNC2)C1 ZINC000663482694 411669373 /nfs/dbraw/zinc/66/93/73/411669373.db2.gz CNHFJEDNEYVVOC-UHFFFAOYSA-N 0 3 232.283 0.501 20 0 BCADHN Cc1ccncc1C(=O)N1CCOC2(CNC2)C1 ZINC000663487708 411670017 /nfs/dbraw/zinc/67/00/17/411670017.db2.gz LARKNQZGOYRHEI-UHFFFAOYSA-N 0 3 247.298 0.204 20 0 BCADHN O=C(CCC1CCC1)N1CCOC2(CNC2)C1 ZINC000663487924 411670169 /nfs/dbraw/zinc/67/01/69/411670169.db2.gz PGRCCUYYYGLSPT-UHFFFAOYSA-N 0 3 238.331 0.768 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2CNC(=O)C2)[C@@H](C)CO1 ZINC000660915322 411670810 /nfs/dbraw/zinc/67/08/10/411670810.db2.gz ZIAFWEYVKHJGFI-GARJFASQSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1CN(CCc2c[nH]nn2)C2(CCC2)CO1 ZINC000660921653 411672364 /nfs/dbraw/zinc/67/23/64/411672364.db2.gz YNUXULVSGVKWNM-SNVBAGLBSA-N 0 3 236.319 0.991 20 0 BCADHN CC[C@H](C)[C@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000663493840 411673426 /nfs/dbraw/zinc/67/34/26/411673426.db2.gz LGBXCBXTKNVWBX-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN CNS(=O)(=O)CCCN1C[C@@H]2CCCC[C@@H]21 ZINC000660931031 411681988 /nfs/dbraw/zinc/68/19/88/411681988.db2.gz OQBNKKZGEAXJFW-QWRGUYRKSA-N 0 3 246.376 0.800 20 0 BCADHN C[C@H](O)CN(C)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000314388096 411684770 /nfs/dbraw/zinc/68/47/70/411684770.db2.gz PJDQCVQJAQNUAN-QJPTWQEYSA-N 0 3 230.352 0.408 20 0 BCADHN CCN(CCO)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000314394499 411687140 /nfs/dbraw/zinc/68/71/40/411687140.db2.gz QKMJNANLAPNIJC-TXEJJXNPSA-N 0 3 230.352 0.410 20 0 BCADHN Nc1ccc(CN2CC[C@@H](F)[C@H](N)C2)cn1 ZINC000663505021 411687723 /nfs/dbraw/zinc/68/77/23/411687723.db2.gz GGXURGWKTRXREQ-NXEZZACHSA-N 0 3 224.283 0.535 20 0 BCADHN C[C@@H]1CN(CCN2CCC[C@H]2CO)C[C@@H](C)O1 ZINC000314406910 411688887 /nfs/dbraw/zinc/68/88/87/411688887.db2.gz SFIMEEHSVYZACV-UPJWGTAASA-N 0 3 242.363 0.552 20 0 BCADHN C([C@H]1CCSC1)N1CCOC2(CNC2)C1 ZINC000663510570 411693494 /nfs/dbraw/zinc/69/34/94/411693494.db2.gz PXTVWRKBDTURMT-SNVBAGLBSA-N 0 3 228.361 0.414 20 0 BCADHN CCn1ccnc1CN1CCOC2(CNC2)C1 ZINC000663513563 411694174 /nfs/dbraw/zinc/69/41/74/411694174.db2.gz VBZOSVHWDUBLAW-UHFFFAOYSA-N 0 3 236.319 0.077 20 0 BCADHN CCn1cc(CN2CCOC3(CNC3)C2)cn1 ZINC000663514022 411695330 /nfs/dbraw/zinc/69/53/30/411695330.db2.gz ZGLCTRJEGNMSSR-UHFFFAOYSA-N 0 3 236.319 0.077 20 0 BCADHN Oc1cccc(CN2CCOC3(CNC3)C2)c1 ZINC000663513134 411695689 /nfs/dbraw/zinc/69/56/89/411695689.db2.gz MWCNJDQIHDQARL-UHFFFAOYSA-N 0 3 234.299 0.566 20 0 BCADHN O[C@H]1CCN(CCNc2ncnc3[nH]ccc32)C1 ZINC000624775571 411697980 /nfs/dbraw/zinc/69/79/80/411697980.db2.gz ZQPSGTQFRGPAEU-VIFPVBQESA-N 0 3 247.302 0.436 20 0 BCADHN COC[C@@H](C)CC(=O)N[C@H]1CCCN(C)C1 ZINC000674795704 487620515 /nfs/dbraw/zinc/62/05/15/487620515.db2.gz XAXZMXVRUWDHMD-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000661503281 411792154 /nfs/dbraw/zinc/79/21/54/411792154.db2.gz XDBRQMNDPMTENG-JLLWLGSASA-N 0 3 226.320 0.609 20 0 BCADHN COC(C)(C)CNC(=O)C1(N)CCCC1 ZINC000133417769 411748560 /nfs/dbraw/zinc/74/85/60/411748560.db2.gz PBIFMORASRJINK-UHFFFAOYSA-N 0 3 214.309 0.799 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC1CCC1 ZINC000162317306 170610206 /nfs/dbraw/zinc/61/02/06/170610206.db2.gz VJQDKVBQYXZNRV-MRVPVSSYSA-N 0 3 205.323 0.952 20 0 BCADHN CCc1nnc2ccc(N[C@H](C)CN(C)C)nn21 ZINC000343785780 411792720 /nfs/dbraw/zinc/79/27/20/411792720.db2.gz GMPJVSUVNWRNCE-SECBINFHSA-N 0 3 248.334 1.049 20 0 BCADHN CO[C@@]1(CO)CCCN(Cc2cnc[nH]2)C1 ZINC000661391493 411767312 /nfs/dbraw/zinc/76/73/12/411767312.db2.gz GHPRHIWMKADWOR-NSHDSACASA-N 0 3 225.292 0.383 20 0 BCADHN CCc1cc(NCCN2CC[C@H](O)C2)ncn1 ZINC000624774855 411768537 /nfs/dbraw/zinc/76/85/37/411768537.db2.gz RXIOTPOLJMPCOC-NSHDSACASA-N 0 3 236.319 0.518 20 0 BCADHN CCc1cc(N[C@@H](CO)CN(C)C)ncn1 ZINC000663910312 411769455 /nfs/dbraw/zinc/76/94/55/411769455.db2.gz HOAJYJYEVGEDCP-SNVBAGLBSA-N 0 3 224.308 0.373 20 0 BCADHN COc1nc(C)cc(NCC2=CCN(C)CC2)n1 ZINC000546181995 411773764 /nfs/dbraw/zinc/77/37/64/411773764.db2.gz VUINXMBTJSGPTC-UHFFFAOYSA-N 0 3 248.330 1.467 20 0 BCADHN C[C@H](CO)[C@H]1CCCCN1CC(=O)N1CCC1 ZINC000661434648 411773968 /nfs/dbraw/zinc/77/39/68/411773968.db2.gz HUDYSEPEWLEBAP-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H](CO)[C@H]1CCCCN1CC(=O)N(C)C ZINC000661436639 411776170 /nfs/dbraw/zinc/77/61/70/411776170.db2.gz VUFCQTRLKKEWEP-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN Cc1nccnc1NCCN1CC[C@@H](O)C1 ZINC000624680862 411786972 /nfs/dbraw/zinc/78/69/72/411786972.db2.gz OTQXVOWZAYBUJZ-SNVBAGLBSA-N 0 3 222.292 0.264 20 0 BCADHN OCCN1CCCC[C@@H]1CNc1cnccn1 ZINC000663954590 411789913 /nfs/dbraw/zinc/78/99/13/411789913.db2.gz TYCBPGAMYJXWCR-LLVKDONJSA-N 0 3 236.319 0.735 20 0 BCADHN C[C@@]12COC[C@]1(C)CN(CC(=O)N1CCC1)C2 ZINC000661497118 411790103 /nfs/dbraw/zinc/79/01/03/411790103.db2.gz QQEOLPLVDCLGGV-BETUJISGSA-N 0 3 238.331 0.577 20 0 BCADHN CN(CC1CC1)C(=O)CN[C@H](CO)C1CCC1 ZINC000661151422 411720026 /nfs/dbraw/zinc/72/00/26/411720026.db2.gz GWCFWZSDHGSDCN-GFCCVEGCSA-N 0 3 240.347 0.605 20 0 BCADHN O=C(CN[C@H](CO)C1CCC1)Nc1ccon1 ZINC000661156936 411722220 /nfs/dbraw/zinc/72/22/20/411722220.db2.gz KZUAFKOKXQDSAY-SECBINFHSA-N 0 3 239.275 0.364 20 0 BCADHN CC[C@@H](C(=O)NCc1ncc[nH]1)N(C)C ZINC000125375617 170664838 /nfs/dbraw/zinc/66/48/38/170664838.db2.gz GOLVKTACEMJAKG-QMMMGPOBSA-N 0 3 210.281 0.366 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000565773225 411727025 /nfs/dbraw/zinc/72/70/25/411727025.db2.gz NAEYQMSGIPSCPO-SNVBAGLBSA-N 0 3 245.286 0.943 20 0 BCADHN CCN(C)C[C@H](O)CN1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661539853 411798534 /nfs/dbraw/zinc/79/85/34/411798534.db2.gz VWYKTEYMGFMGAO-UTUOFQBUSA-N 0 3 242.363 0.456 20 0 BCADHN Cc1nnc(N[C@H]2CCN(C)[C@@H](C)C2)o1 ZINC000380262995 411799014 /nfs/dbraw/zinc/79/90/14/411799014.db2.gz SIRIHOCXJNDYHK-CBAPKCEASA-N 0 3 210.281 1.273 20 0 BCADHN C[C@H](CNC(=O)NC/C=C/CO)N(C)C1CC1 ZINC000663997990 411808062 /nfs/dbraw/zinc/80/80/62/411808062.db2.gz HHLDTFJXYWJHMC-HMDXOVGESA-N 0 3 241.335 0.317 20 0 BCADHN C[C@H]1CC[C@H](CNC2(C(N)=O)CCOCC2)O1 ZINC000661595569 411810694 /nfs/dbraw/zinc/81/06/94/411810694.db2.gz SDYFRUZIWCZKDS-VHSXEESVSA-N 0 3 242.319 0.178 20 0 BCADHN Cc1nnc2ccc(N[C@H](C)CN(C)C)nn12 ZINC000343800438 411811036 /nfs/dbraw/zinc/81/10/36/411811036.db2.gz YMROUHSKERCUGR-MRVPVSSYSA-N 0 3 234.307 0.795 20 0 BCADHN CC(C)(C)[C@@H](O)CNC1(C(N)=O)CCOCC1 ZINC000661594762 411811047 /nfs/dbraw/zinc/81/10/47/411811047.db2.gz BILGJHYQZUJVRF-VIFPVBQESA-N 0 3 244.335 0.018 20 0 BCADHN CN(CCn1ccnc1)C[C@H]1COCCO1 ZINC000661612303 411816789 /nfs/dbraw/zinc/81/67/89/411816789.db2.gz QISSAWHPCRITKQ-NSHDSACASA-N 0 3 225.292 0.230 20 0 BCADHN CN(CCc1cn[nH]c1)C[C@@H]1COCCO1 ZINC000661612571 411817048 /nfs/dbraw/zinc/81/70/48/411817048.db2.gz AFQXUFLTBQMFLE-LLVKDONJSA-N 0 3 225.292 0.299 20 0 BCADHN OCC1(O)CCN(CCOCC2CC2)CC1 ZINC000661617868 411818093 /nfs/dbraw/zinc/81/80/93/411818093.db2.gz HUKMYMDHOLHBBK-UHFFFAOYSA-N 0 3 229.320 0.232 20 0 BCADHN C[C@@H]1CN(Cc2cnn(C)c2)C[C@@H](C)C1O ZINC000661620265 411818278 /nfs/dbraw/zinc/81/82/78/411818278.db2.gz FNVMJOHJNCJCGV-NXEZZACHSA-N 0 3 223.320 0.869 20 0 BCADHN CC[C@@H](CN(C)C[C@H]1COCCO1)OC ZINC000661615134 411818773 /nfs/dbraw/zinc/81/87/73/411818773.db2.gz WULMDDOWXYIOST-QWRGUYRKSA-N 0 3 217.309 0.759 20 0 BCADHN C[C@@H]1CN(Cc2cnc[nH]2)C[C@@H](C)C1O ZINC000661621032 411820852 /nfs/dbraw/zinc/82/08/52/411820852.db2.gz CQKYLTMWPUPBCE-RKDXNWHRSA-N 0 3 209.293 0.858 20 0 BCADHN CCn1nc(NC(=O)[C@@H]2C[C@@H]2N)cc1C1CC1 ZINC000571194832 411821046 /nfs/dbraw/zinc/82/10/46/411821046.db2.gz UDQDRORBFBTDMN-BDAKNGLRSA-N 0 3 234.303 1.066 20 0 BCADHN C[C@@H](CNc1nccn2nnnc12)N(C)C1CC1 ZINC000530903256 411821076 /nfs/dbraw/zinc/82/10/76/411821076.db2.gz QIRVMMNQFSINPL-QMMMGPOBSA-N 0 3 247.306 0.414 20 0 BCADHN COC[C@@](C)(CCO)NCc1ccnc(N)c1 ZINC000630343803 411866102 /nfs/dbraw/zinc/86/61/02/411866102.db2.gz RIKZGVGVENICBR-GFCCVEGCSA-N 0 3 239.319 0.541 20 0 BCADHN O=C(CN1CCC[C@@](O)(C2CC2)C1)N1CCC1 ZINC000661631972 411827126 /nfs/dbraw/zinc/82/71/26/411827126.db2.gz JQTSPJVKRNRKSX-ZDUSSCGKSA-N 0 3 238.331 0.456 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC[C@@](O)(C2CC2)C1 ZINC000661636041 411827773 /nfs/dbraw/zinc/82/77/73/411827773.db2.gz IWNUECCQKVFKMX-MFKMUULPSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](NCCNc1cnccn1)c1cnn(C)c1 ZINC000361979653 411828783 /nfs/dbraw/zinc/82/87/83/411828783.db2.gz BEQUSMDTUKIUGJ-SNVBAGLBSA-N 0 3 246.318 0.973 20 0 BCADHN C[C@@H](Nc1nccn(C2CC2)c1=O)[C@H](C)N ZINC000381557709 411829888 /nfs/dbraw/zinc/82/98/88/411829888.db2.gz HJVRMHYOBBLQJK-JGVFFNPUSA-N 0 3 222.292 0.726 20 0 BCADHN COC[C@@H](C)N1CCC(c2nnc(N)o2)CC1 ZINC000639724510 411866716 /nfs/dbraw/zinc/86/67/16/411866716.db2.gz NMTYEICOXGJVCO-MRVPVSSYSA-N 0 3 240.307 0.866 20 0 BCADHN O=C1NCC[C@H]1N1CCC[C@@H](CCF)C1 ZINC000661692639 411841687 /nfs/dbraw/zinc/84/16/87/411841687.db2.gz IICVVZPXISISBM-VHSXEESVSA-N 0 3 214.284 0.947 20 0 BCADHN Cn1[nH]cnc1=N[C@H]1CCCN2CCCC[C@H]12 ZINC000664080773 411843904 /nfs/dbraw/zinc/84/39/04/411843904.db2.gz ZJGXCZKQKHVKDU-WDEREUQCSA-N 0 3 235.335 0.666 20 0 BCADHN Cn1nccc1CN1C[C@H]2COC[C@]2(C)C1 ZINC000661697397 411844961 /nfs/dbraw/zinc/84/49/61/411844961.db2.gz BXUYFTQWDCKAIY-JQWIXIFHSA-N 0 3 221.304 0.888 20 0 BCADHN C[C@@]12COC[C@@H]1CN(CC(=O)NC1CC1)C2 ZINC000661700693 411845747 /nfs/dbraw/zinc/84/57/47/411845747.db2.gz YDYSOFZTJFVFKV-JOYOIKCWSA-N 0 3 224.304 0.233 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)N1CCNCC1 ZINC000019976893 170744385 /nfs/dbraw/zinc/74/43/85/170744385.db2.gz AJMWCUYKBVWZHZ-NXEZZACHSA-N 0 3 213.325 0.195 20 0 BCADHN CC(C)(C)NC(=O)CN1C[C@@H]2COC[C@]2(C)C1 ZINC000661705126 411849309 /nfs/dbraw/zinc/84/93/09/411849309.db2.gz ZTYBWSMNFGYBJW-MFKMUULPSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@]12COC[C@H]1CN(CCN1CCCC1=O)C2 ZINC000661703567 411849344 /nfs/dbraw/zinc/84/93/44/411849344.db2.gz UNTIULMKJSUJCS-DGCLKSJQSA-N 0 3 238.331 0.577 20 0 BCADHN CC(C)(C)NC(=O)CN1C[C@H]2COC[C@@]2(C)C1 ZINC000661705124 411850339 /nfs/dbraw/zinc/85/03/39/411850339.db2.gz ZTYBWSMNFGYBJW-GXFFZTMASA-N 0 3 240.347 0.869 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)Cc2ccnc(N)c2)C1 ZINC000595856721 411851178 /nfs/dbraw/zinc/85/11/78/411851178.db2.gz PZYZCKPRKOVDIX-XYPYZODXSA-N 0 3 249.314 1.047 20 0 BCADHN CC(C)OC[C@@H](O)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000661713938 411853787 /nfs/dbraw/zinc/85/37/87/411853787.db2.gz WOZLQFYZENKMMX-SDDRHHMPSA-N 0 3 229.320 0.229 20 0 BCADHN Cc1nn(C)c(C)c1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000661715356 411855155 /nfs/dbraw/zinc/85/51/55/411855155.db2.gz GIYAEXQPIWNSHN-WCQYABFASA-N 0 3 235.331 0.994 20 0 BCADHN CC(C)NC(=O)CCN1CC[C@@]2(O)C[C@H]2C1 ZINC000661714723 411856247 /nfs/dbraw/zinc/85/62/47/411856247.db2.gz GKTXMGCVNGQWHP-CMPLNLGQSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@H](CN1CCOCC1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000661722848 411857670 /nfs/dbraw/zinc/85/76/70/411857670.db2.gz MRVMCSSDKCDUTR-FRRDWIJNSA-N 0 3 240.347 0.164 20 0 BCADHN Cc1noc(CCCN2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661722897 411859261 /nfs/dbraw/zinc/85/92/61/411859261.db2.gz NMIRAGMGXUTGEU-CMPLNLGQSA-N 0 3 237.303 0.767 20 0 BCADHN CCN[C@H](C)C(=O)Nc1ccc(N)nc1 ZINC000637828660 411859852 /nfs/dbraw/zinc/85/98/52/411859852.db2.gz UDDZRDTZVUAWPH-SSDOTTSWSA-N 0 3 208.265 0.600 20 0 BCADHN Cn1cncc1CCN1CC[C@@]2(O)C[C@H]2C1 ZINC000661723896 411860535 /nfs/dbraw/zinc/86/05/35/411860535.db2.gz XUXLHNAXQQFIHH-CMPLNLGQSA-N 0 3 221.304 0.419 20 0 BCADHN Cn1cc(C[C@@H]2CCC[C@H]2NCC(N)=O)cn1 ZINC000661784000 411885437 /nfs/dbraw/zinc/88/54/37/411885437.db2.gz HNXZOQMUFBSHGL-WDEREUQCSA-N 0 3 236.319 0.206 20 0 BCADHN CN1CCN([C@@H]2COC(C)(C)C2)CCC1=O ZINC000661805207 411887285 /nfs/dbraw/zinc/88/72/85/411887285.db2.gz YYFCOGDUSHKMOI-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN CN1CCN(CC[C@H]2CCOC2)CCC1=O ZINC000661805070 411887318 /nfs/dbraw/zinc/88/73/18/411887318.db2.gz BZWVQIZZWHHOFK-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)NC/C=C\CO)CCN1C ZINC000664215963 411888233 /nfs/dbraw/zinc/88/82/33/411888233.db2.gz DKNSSJBRDXSRIE-ANDSXOESSA-N 0 3 241.335 0.317 20 0 BCADHN CN1CCN(CC[C@@H]2CCCO2)CCC1=O ZINC000661806598 411888301 /nfs/dbraw/zinc/88/83/01/411888301.db2.gz MLLYWSJAVQBUNH-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN CCC([NH3+])(CC)CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420194642 411892605 /nfs/dbraw/zinc/89/26/05/411892605.db2.gz FRFFUMFICOZLHU-UHFFFAOYSA-N 0 3 249.322 0.238 20 0 BCADHN C[C@H](CN[C@@H]1C[C@@H](O)C12CCC2)S(C)(=O)=O ZINC000661827899 411894307 /nfs/dbraw/zinc/89/43/07/411894307.db2.gz PEDCNEGMCGSXPP-OPRDCNLKSA-N 0 3 247.360 0.313 20 0 BCADHN C[C@H]1OCC[C@@]1(C)NCC(=O)Nc1ccon1 ZINC000683147632 487621086 /nfs/dbraw/zinc/62/10/86/487621086.db2.gz ZQHHPJFQDOWJQD-LDYMZIIASA-N 0 3 239.275 0.770 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1C[C@H](O)C12CCC2 ZINC000661836510 411899027 /nfs/dbraw/zinc/89/90/27/411899027.db2.gz RKFJTZLMJDCXIA-ZJUUUORDSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)C(=O)N(C)C ZINC000661838786 411899672 /nfs/dbraw/zinc/89/96/72/411899672.db2.gz NSMPUIGPGJRTGI-IVZWLZJFSA-N 0 3 226.320 0.356 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000661841451 411899910 /nfs/dbraw/zinc/89/99/10/411899910.db2.gz TUPRPEGKIHBPNB-HBNTYKKESA-N 0 3 240.347 0.794 20 0 BCADHN CCCC[C@H](N)C(=O)Nc1ccc(N)nc1 ZINC000442710925 411907185 /nfs/dbraw/zinc/90/71/85/411907185.db2.gz CYICXQFPAXSZCJ-VIFPVBQESA-N 0 3 222.292 1.120 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC(C)(C)C(=O)NC ZINC000182663141 170793920 /nfs/dbraw/zinc/79/39/20/170793920.db2.gz ZECIIWMAYSKCDI-BDAKNGLRSA-N 0 3 243.351 0.248 20 0 BCADHN CN(C)CCSc1nnc(N)n1C1CC1 ZINC000336691955 411910388 /nfs/dbraw/zinc/91/03/88/411910388.db2.gz MWPTZVZRYOBXGK-UHFFFAOYSA-N 0 3 227.337 0.849 20 0 BCADHN CCCN[C@H](C)C(=O)Nc1ccc(N)nc1 ZINC000449108663 411912741 /nfs/dbraw/zinc/91/27/41/411912741.db2.gz VLAUAMCQQJITTL-MRVPVSSYSA-N 0 3 222.292 0.990 20 0 BCADHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccnc(N)c1 ZINC000590752205 411913514 /nfs/dbraw/zinc/91/35/14/411913514.db2.gz QSOMCEQHHUPAJQ-MNOVXSKESA-N 0 3 249.314 1.095 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc(N)nc1 ZINC000638203607 411915568 /nfs/dbraw/zinc/91/55/68/411915568.db2.gz ABEXECMMPSKCNQ-DTWKUNHWSA-N 0 3 234.303 0.486 20 0 BCADHN OCC1(CO)CCN(CCOCC2CC2)C1 ZINC000661942523 411916212 /nfs/dbraw/zinc/91/62/12/411916212.db2.gz AQMSYMXITJAUPB-UHFFFAOYSA-N 0 3 229.320 0.090 20 0 BCADHN C[C@H](CCCC[NH3+])N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420267905 411917264 /nfs/dbraw/zinc/91/72/64/411917264.db2.gz YRYIFYLXBHBHCA-SSDOTTSWSA-N 0 3 249.322 0.238 20 0 BCADHN CC(C)CC[C@@H](O)CN1CCC(CO)(CO)C1 ZINC000661950451 411917898 /nfs/dbraw/zinc/91/78/98/411917898.db2.gz LLTARKYZVDYNJX-GFCCVEGCSA-N 0 3 245.363 0.460 20 0 BCADHN C[C@H](NC(=O)[C@H]1NCC1(C)C)c1nccc(N)n1 ZINC000638855716 411919041 /nfs/dbraw/zinc/91/90/41/411919041.db2.gz IETDTBYPIOMJDN-IONNQARKSA-N 0 3 249.318 0.234 20 0 BCADHN C[C@H](CO)CN1CCC[C@H](c2nnc(N)o2)C1 ZINC000639821846 411920270 /nfs/dbraw/zinc/92/02/70/411920270.db2.gz KVAWJCPTUDZQFH-IUCAKERBSA-N 0 3 240.307 0.460 20 0 BCADHN CCCN1CC[C@H](NC(=O)NCCCOC)C1 ZINC000661956123 411920752 /nfs/dbraw/zinc/92/07/52/411920752.db2.gz WKPVXZURKCFAFN-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN C[C@H](O)CN1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639822669 411921900 /nfs/dbraw/zinc/92/19/00/411921900.db2.gz RKXDEIOEPVPLQY-JGVFFNPUSA-N 0 3 226.280 0.212 20 0 BCADHN C[C@H](NC(=O)[C@@H]1NCC1(C)C)c1nccc(N)n1 ZINC000638855715 411922901 /nfs/dbraw/zinc/92/29/01/411922901.db2.gz IETDTBYPIOMJDN-CBAPKCEASA-N 0 3 249.318 0.234 20 0 BCADHN C[C@H](c1nccc(N)n1)N(C)C[C@@H]1CCCN1C ZINC000576477356 411927541 /nfs/dbraw/zinc/92/75/41/411927541.db2.gz VNLFONYQQUNLHJ-MNOVXSKESA-N 0 3 249.362 1.146 20 0 BCADHN OCC1(CO)CCN(CCc2ccccc2)C1 ZINC000661969881 411927834 /nfs/dbraw/zinc/92/78/34/411927834.db2.gz WHHCVMXGZQJJQJ-UHFFFAOYSA-N 0 3 235.327 0.906 20 0 BCADHN C[C@H]1CN(Cc2ccnc(N)c2)C[C@H]1CO ZINC000348108785 411928886 /nfs/dbraw/zinc/92/88/86/411928886.db2.gz UEQQDSABBSRJKL-ONGXEEELSA-N 0 3 221.304 0.724 20 0 BCADHN Nc1nccc([C@@H]2CCCN(CCCO)C2)n1 ZINC000368482577 411929541 /nfs/dbraw/zinc/92/95/41/411929541.db2.gz KYUAKURXPZZDAR-SNVBAGLBSA-N 0 3 236.319 0.621 20 0 BCADHN COC[C@@H](C)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662011851 411941067 /nfs/dbraw/zinc/94/10/67/411941067.db2.gz AKABZKAUMLZCBZ-GHMZBOCLSA-N 0 3 243.351 0.709 20 0 BCADHN COC[C@H](C)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662011855 411941153 /nfs/dbraw/zinc/94/11/53/411941153.db2.gz AKABZKAUMLZCBZ-WDEREUQCSA-N 0 3 243.351 0.709 20 0 BCADHN Nc1cc(CN2CCNC[C@@H]2C(F)F)ccn1 ZINC000516867696 411941299 /nfs/dbraw/zinc/94/12/99/411941299.db2.gz MBCKUXZNQXAICP-SECBINFHSA-N 0 3 242.273 0.703 20 0 BCADHN Nc1cc(CN2CCNC[C@H]2C(F)F)ccn1 ZINC000516867697 411941312 /nfs/dbraw/zinc/94/13/12/411941312.db2.gz MBCKUXZNQXAICP-VIFPVBQESA-N 0 3 242.273 0.703 20 0 BCADHN CC[C@@H](O)CN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662006460 411941397 /nfs/dbraw/zinc/94/13/97/411941397.db2.gz CDYYSFZNPRAOMQ-WDEREUQCSA-N 0 3 243.351 0.445 20 0 BCADHN CSCCN1CCC(c2nc(N)n[nH]2)CC1 ZINC000590600111 411871982 /nfs/dbraw/zinc/87/19/82/411871982.db2.gz ISGMFJWRGDROSS-UHFFFAOYSA-N 0 3 241.364 0.929 20 0 BCADHN C[C@@H](CO)CN1CCC(c2nnc(N)o2)CC1 ZINC000639740204 411879573 /nfs/dbraw/zinc/87/95/73/411879573.db2.gz VPLCUGIFRSBYLJ-MRVPVSSYSA-N 0 3 240.307 0.460 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CCC[C@@H]1[C@@H](C)O ZINC000661771430 411880880 /nfs/dbraw/zinc/88/08/80/411880880.db2.gz CMYJOOVEHSCDEQ-GMTAPVOTSA-N 0 3 228.336 0.746 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H]1[C@@H](C)O ZINC000661770660 411882220 /nfs/dbraw/zinc/88/22/20/411882220.db2.gz GPCMIGZOJJNWKN-NXEZZACHSA-N 0 3 214.309 0.310 20 0 BCADHN CN1CCN(CC2(C)COC2)CCC1=O ZINC000661804751 411882706 /nfs/dbraw/zinc/88/27/06/411882706.db2.gz LTJHVBCHEIAIEI-UHFFFAOYSA-N 0 3 212.293 0.187 20 0 BCADHN C[C@H](CN1CCC[C@@H]1[C@H](C)O)CS(C)(=O)=O ZINC000661772043 411884245 /nfs/dbraw/zinc/88/42/45/411884245.db2.gz PWJJMAMJTWHMBZ-OUAUKWLOSA-N 0 3 249.376 0.512 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2ccnc(N)c2)nn1 ZINC000641068541 411884498 /nfs/dbraw/zinc/88/44/98/411884498.db2.gz QDQLTXFCULEESS-GFCCVEGCSA-N 0 3 246.318 0.888 20 0 BCADHN O=C1CCCN1C[C@H]1CCN([C@H]2CCOC2)C1 ZINC000662055910 411968503 /nfs/dbraw/zinc/96/85/03/411968503.db2.gz WKLRZCRCXHFLLT-RYUDHWBXSA-N 0 3 238.331 0.720 20 0 BCADHN Cc1nc(N)nc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)n1 ZINC000631157952 411969786 /nfs/dbraw/zinc/96/97/86/411969786.db2.gz VFEJTZUZCROFFU-VXNVDRBHSA-N 0 3 248.334 0.799 20 0 BCADHN CCN1CC[C@H](N2CCC3(COC3)C2)C1=O ZINC000662069864 411971901 /nfs/dbraw/zinc/97/19/01/411971901.db2.gz LAMVQFDXBDGXBM-JTQLQIEISA-N 0 3 224.304 0.330 20 0 BCADHN NC(=O)C[C@@H]1CCCCN1Cc1ccc(N)nc1 ZINC000647514654 411973924 /nfs/dbraw/zinc/97/39/24/411973924.db2.gz ZOCHWAABNYILIL-NSHDSACASA-N 0 3 248.330 0.894 20 0 BCADHN NC(=O)C[C@H]1CCCN(Cc2ccc(N)nc2)C1 ZINC000647517866 411974669 /nfs/dbraw/zinc/97/46/69/411974669.db2.gz PBMMYLXAKXRBHS-SNVBAGLBSA-N 0 3 248.330 0.751 20 0 BCADHN C(CN1CCOCC1)N1CCC2(COC2)C1 ZINC000662075379 411976398 /nfs/dbraw/zinc/97/63/98/411976398.db2.gz WIUPTZRRVIBIKR-UHFFFAOYSA-N 0 3 226.320 0.041 20 0 BCADHN CC(C)N1CC[C@@H](N2CCC3(COC3)C2)C1=O ZINC000662074290 411977374 /nfs/dbraw/zinc/97/73/74/411977374.db2.gz GEKWTIHDNRVOBK-LLVKDONJSA-N 0 3 238.331 0.718 20 0 BCADHN CCN(CCNC(=O)c1ncccc1N)C1CC1 ZINC000219913967 411977905 /nfs/dbraw/zinc/97/79/05/411977905.db2.gz VVVGCSKIMRGWIZ-UHFFFAOYSA-N 0 3 248.330 0.878 20 0 BCADHN Cc1ncc(CNC(=O)/C=C\CN(C)C)c(N)n1 ZINC000493452190 411980389 /nfs/dbraw/zinc/98/03/89/411980389.db2.gz KMFXHVIVXVIADI-PLNGDYQASA-N 0 3 249.318 0.101 20 0 BCADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@]1(C)CO ZINC000662135809 411999584 /nfs/dbraw/zinc/99/95/84/411999584.db2.gz QSNLHQCHUBNLFG-ZWNOBZJWSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@H]1CN(Cc2cnc[nH]2)C[C@@]1(C)CO ZINC000662147124 412008950 /nfs/dbraw/zinc/00/89/50/412008950.db2.gz VFVOOBVZQCDDEW-ONGXEEELSA-N 0 3 209.293 0.860 20 0 BCADHN CCCNC(=O)CN1CC[C@H]2COC[C@H]2C1 ZINC000662032075 411947400 /nfs/dbraw/zinc/94/74/00/411947400.db2.gz XDOMDZZBUXTKOH-WDEREUQCSA-N 0 3 226.320 0.481 20 0 BCADHN CCCCNC(=O)CN1CC[C@@H]2COC[C@H]2C1 ZINC000662039418 411955185 /nfs/dbraw/zinc/95/51/85/411955185.db2.gz DWNDQWTWIRFDBG-VXGBXAGGSA-N 0 3 240.347 0.871 20 0 BCADHN CN1CC[C@H](N2CC[C@H]3COC[C@H]3C2)C1=O ZINC000662038835 411956014 /nfs/dbraw/zinc/95/60/14/411956014.db2.gz UENKIWDDPIOHNA-AXFHLTTASA-N 0 3 224.304 0.185 20 0 BCADHN CN1CCC[C@H](N2CC[C@H]3COC[C@H]3C2)C1=O ZINC000662039054 411956231 /nfs/dbraw/zinc/95/62/31/411956231.db2.gz XLIVGVDYYYMBGW-TUAOUCFPSA-N 0 3 238.331 0.576 20 0 BCADHN CN1CC[C@H](N2CC[C@@H]3COC[C@@H]3C2)C1=O ZINC000662038838 411956672 /nfs/dbraw/zinc/95/66/72/411956672.db2.gz UENKIWDDPIOHNA-VWYCJHECSA-N 0 3 224.304 0.185 20 0 BCADHN Cn1ccc(CN2CC[C@H]3COC[C@@H]3C2)cc1=O ZINC000662039907 411957330 /nfs/dbraw/zinc/95/73/30/411957330.db2.gz PQMBSKFFDPAXAM-STQMWFEESA-N 0 3 248.326 0.854 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@H]2COC[C@@H]2C1 ZINC000662041347 411958926 /nfs/dbraw/zinc/95/89/26/411958926.db2.gz KBGDUKHNNHCPLA-MNOVXSKESA-N 0 3 226.320 0.479 20 0 BCADHN COC[C@H](O)CN1CCC(c2ccon2)CC1 ZINC000662046468 411962359 /nfs/dbraw/zinc/96/23/59/411962359.db2.gz GHLHLDMTEYPACD-LLVKDONJSA-N 0 3 240.303 0.861 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H]1COC(C)(C)C1 ZINC000664895757 412040449 /nfs/dbraw/zinc/04/04/49/412040449.db2.gz HRKJUYHABWJMBL-UWVGGRQHSA-N 0 3 243.351 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ZINC000037477170 171063067 /nfs/dbraw/zinc/06/30/67/171063067.db2.gz GBGFJULFASGSMW-SNVBAGLBSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)CCO1 ZINC000091299446 171064388 /nfs/dbraw/zinc/06/43/88/171064388.db2.gz QDFVOMYANZJAQV-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](C)NC)CCO1 ZINC000054072317 171067940 /nfs/dbraw/zinc/06/79/40/171067940.db2.gz ZREAKLWVOXJUBL-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@@H]1CN(CCN2CCOCC2)C[C@H]1O ZINC000341017962 171081536 /nfs/dbraw/zinc/08/15/36/171081536.db2.gz PBSYWTYCAIZINX-VXGBXAGGSA-N 0 3 228.336 0.021 20 0 BCADHN CC[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1O ZINC000341031444 171081611 /nfs/dbraw/zinc/08/16/11/171081611.db2.gz VWJVFWBADOTDOC-MNOVXSKESA-N 0 3 226.320 0.312 20 0 BCADHN CC[C@@H]1CN(Cc2ccc(CO)o2)C[C@@H]1O ZINC000271403514 171088534 /nfs/dbraw/zinc/08/85/34/171088534.db2.gz WFTNVUUEOGCTLH-SKDRFNHKSA-N 0 3 225.288 0.975 20 0 BCADHN CC[C@@H]1CN([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC000341015378 171093642 /nfs/dbraw/zinc/09/36/42/171093642.db2.gz RGERPELTMCCUDH-HBNTYKKESA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC000341018216 171094680 /nfs/dbraw/zinc/09/46/80/171094680.db2.gz VNXPIGLBGMUTCD-AEJSXWLSSA-N 0 3 214.309 0.166 20 0 BCADHN CC[C@@H]1CN([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC000341008102 171095385 /nfs/dbraw/zinc/09/53/85/171095385.db2.gz KQKPYDUNGBBFTO-KKZNHRDASA-N 0 3 226.320 0.356 20 0 BCADHN CC[C@@H]1COCCN1CCN1CCCOCC1 ZINC000361308432 171106379 /nfs/dbraw/zinc/10/63/79/171106379.db2.gz LUUWLIQHGYJSHK-CYBMUJFWSA-N 0 3 242.363 0.820 20 0 BCADHN COCCC1CN(C(=O)NC[C@H](C)N(C)C)C1 ZINC000665043403 412066377 /nfs/dbraw/zinc/06/63/77/412066377.db2.gz IAPCIKWGDYNEIZ-JTQLQIEISA-N 0 3 243.351 0.614 20 0 BCADHN C[C@@H](CNC(=O)N1CCC2(COC2)C1)N(C)C ZINC000665043216 412066630 /nfs/dbraw/zinc/06/66/30/412066630.db2.gz FOGXWCOIZAXHJB-JTQLQIEISA-N 0 3 241.335 0.368 20 0 BCADHN CO[C@@H]1[C@H](C)[C@@H](NC2CN(C(C)=O)C2)C1(C)C ZINC000568238943 322929688 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/nfs/dbraw/zinc/37/06/87/171370687.db2.gz JZLLHLNJIRVHLR-INTQDDNPSA-N 0 3 228.336 0.901 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCc1ccnc(C)n1 ZINC000038038153 171370752 /nfs/dbraw/zinc/37/07/52/171370752.db2.gz RJNAQEXTGIJSSJ-GZMMTYOYSA-N 0 3 236.319 0.775 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCc1noc(C)n1 ZINC000158970619 171370881 /nfs/dbraw/zinc/37/08/81/171370881.db2.gz HIQJCJWUTSZCRE-IMTBSYHQSA-N 0 3 226.280 0.368 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)C(=O)N(C)CC ZINC000300018057 171371208 /nfs/dbraw/zinc/37/12/08/171371208.db2.gz JMHQFTXAKBVXSW-IVZWLZJFSA-N 0 3 243.351 0.343 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccn(C)n1 ZINC000037471760 171372389 /nfs/dbraw/zinc/37/23/89/171372389.db2.gz ZQZVDXUSDMJWLU-IONNQARKSA-N 0 3 210.281 0.732 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)C1(N)CCOCC1 ZINC000338154752 171376584 /nfs/dbraw/zinc/37/65/84/171376584.db2.gz SSPBOMDISFAPKU-UWVGGRQHSA-N 0 3 244.335 0.018 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)C1(N)CC1 ZINC000236977888 171376816 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AVMMBNBITJYJEA-JTQLQIEISA-N 0 3 236.319 0.579 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000037413755 171481364 /nfs/dbraw/zinc/48/13/64/171481364.db2.gz XQGQTORWSULASD-IUCAKERBSA-N 0 3 230.308 0.428 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC000361798907 171482012 /nfs/dbraw/zinc/48/20/12/171482012.db2.gz LLANBWLTVUJPTI-QWRGUYRKSA-N 0 3 248.330 0.496 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000662472452 412187566 /nfs/dbraw/zinc/18/75/66/412187566.db2.gz RGTQXJDKFXNMRF-QEYWKRMJSA-N 0 3 226.320 0.524 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000662475642 412188276 /nfs/dbraw/zinc/18/82/76/412188276.db2.gz QLFXUVLFFJLINK-MMWGEVLESA-N 0 3 240.347 0.914 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000662484101 412189907 /nfs/dbraw/zinc/18/99/07/412189907.db2.gz HWYLEDYOXMYUQZ-YGOYTEALSA-N 0 3 228.336 0.914 20 0 BCADHN Cn1nccc1CNC(=O)C1(NC2CC2)CCC1 ZINC000662493321 412194127 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GMHLBAJPCKWGMJ-UHFFFAOYSA-N 0 3 241.726 1.218 20 0 BCADHN CN(C)C/C=C\C(=O)Nc1ccn(C)n1 ZINC000491882792 412152686 /nfs/dbraw/zinc/15/26/86/412152686.db2.gz JVWJRMRVYHIDCI-PLNGDYQASA-N 0 3 208.265 0.476 20 0 BCADHN Cn1cnc(NC(=O)NC[C@H]2CCCN2C)n1 ZINC000626571701 412156493 /nfs/dbraw/zinc/15/64/93/412156493.db2.gz STKADTAURVHPBA-MRVPVSSYSA-N 0 3 238.295 0.031 20 0 BCADHN C[C@@H]1C[C@H](Nc2nccn3nnnc23)CCN1C ZINC000531379658 412159703 /nfs/dbraw/zinc/15/97/03/412159703.db2.gz XKHHKHPMGVTRNV-RKDXNWHRSA-N 0 3 247.306 0.414 20 0 BCADHN COCCNCCNC(=O)CCCF ZINC000662551380 412213859 /nfs/dbraw/zinc/21/38/59/412213859.db2.gz PWJNKBPGSQBXBU-UHFFFAOYSA-N 0 3 206.261 0.088 20 0 BCADHN CN(C)CCOCCNc1ncnc2[nH]ccc21 ZINC000359246982 412162462 /nfs/dbraw/zinc/16/24/62/412162462.db2.gz WBBCJZZRHFOCME-UHFFFAOYSA-N 0 3 249.318 0.948 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2ncccc2N)C1 ZINC000132639013 412162547 /nfs/dbraw/zinc/16/25/47/412162547.db2.gz WVLCDHHFDDMYCT-SNVBAGLBSA-N 0 3 248.330 0.735 20 0 BCADHN COCCCNC(=O)C1(NC2CC2)CCC1 ZINC000662433599 412171916 /nfs/dbraw/zinc/17/19/16/412171916.db2.gz LJNHTMUHHPGTHD-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)Nc1cccnn1 ZINC000345506494 412259213 /nfs/dbraw/zinc/25/92/13/412259213.db2.gz LIRYYWTVNYLWJT-JTQLQIEISA-N 0 3 249.318 1.035 20 0 BCADHN NC(C(=O)NCCc1ccoc1)C(F)(F)F ZINC000662664177 412261967 /nfs/dbraw/zinc/26/19/67/412261967.db2.gz SQJOFVQQSUZAEC-ZETCQYMHSA-N 0 3 236.193 0.828 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000662667761 412266210 /nfs/dbraw/zinc/26/62/10/412266210.db2.gz YCRDYQPTIJLBND-IVZWLZJFSA-N 0 3 214.309 0.798 20 0 BCADHN CN[C@@H](C)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000662690198 412267196 /nfs/dbraw/zinc/26/71/96/412267196.db2.gz KOBYWQUZNZLLJE-QXEWZRGKSA-N 0 3 212.293 0.089 20 0 BCADHN CC[C@H](OC)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000352573189 171583657 /nfs/dbraw/zinc/58/36/57/171583657.db2.gz RGXVPJRQWJSMHW-SRVKXCTJSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H]1C[C@H]1c1cc(NC(=O)[C@H]2CCN2)n[nH]1 ZINC000514600909 412271945 /nfs/dbraw/zinc/27/19/45/412271945.db2.gz VOHSAAJUEYLZFT-XLPZGREQSA-N 0 3 220.276 0.834 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000662689401 412272078 /nfs/dbraw/zinc/27/20/78/412272078.db2.gz GIGGCANBWOSFHX-ATZCPNFKSA-N 0 3 212.293 0.219 20 0 BCADHN C[C@]12COC[C@@H]1CN(C(=O)[C@H](N)CC(F)F)C2 ZINC000662690521 412272175 /nfs/dbraw/zinc/27/21/75/412272175.db2.gz OFTKLAPUEXSMLW-RNSXUZJQSA-N 0 3 248.273 0.464 20 0 BCADHN CC(C)NCC(=O)NC[C@H](C)Cn1ccnc1 ZINC000662688907 412272197 /nfs/dbraw/zinc/27/21/97/412272197.db2.gz RAAIYWKRTWKMEF-NSHDSACASA-N 0 3 238.335 0.633 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000662689404 412272431 /nfs/dbraw/zinc/27/24/31/412272431.db2.gz GIGGCANBWOSFHX-KKZNHRDASA-N 0 3 212.293 0.219 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000662689402 412272464 /nfs/dbraw/zinc/27/24/64/412272464.db2.gz GIGGCANBWOSFHX-FXPVBKGRSA-N 0 3 212.293 0.219 20 0 BCADHN C[C@]12COC[C@H]1CN(C(=O)C1(N)CCC1)C2 ZINC000662693025 412273611 /nfs/dbraw/zinc/27/36/11/412273611.db2.gz ZNYMOKZOQCGHKE-KOLCDFICSA-N 0 3 224.304 0.363 20 0 BCADHN Cc1cncc(CCNC(=O)[C@H](N)C2CCC2)n1 ZINC000662698359 412275232 /nfs/dbraw/zinc/27/52/32/412275232.db2.gz QKKCGZXMABYOAM-GFCCVEGCSA-N 0 3 248.330 0.571 20 0 BCADHN Cc1cncc(CCNC(=O)[C@@H](N)C2CCC2)n1 ZINC000662698361 412275522 /nfs/dbraw/zinc/27/55/22/412275522.db2.gz QKKCGZXMABYOAM-LBPRGKRZSA-N 0 3 248.330 0.571 20 0 BCADHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCCO ZINC000665367842 412289210 /nfs/dbraw/zinc/28/92/10/412289210.db2.gz DXRQYIDYGXXXKU-SECBINFHSA-N 0 3 229.324 0.151 20 0 BCADHN N#Cc1cnnc(NCCN2CCCC2)c1 ZINC000396903326 412279114 /nfs/dbraw/zinc/27/91/14/412279114.db2.gz FFDLVWTXBFMSDN-UHFFFAOYSA-N 0 3 217.276 0.856 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662713693 412279663 /nfs/dbraw/zinc/27/96/63/412279663.db2.gz XWIZDOOPTGKFRK-GARJFASQSA-N 0 3 226.320 0.465 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC(c2ccon2)CC1 ZINC000662714068 412280203 /nfs/dbraw/zinc/28/02/03/412280203.db2.gz VSBNGNGJWARCID-VIFPVBQESA-N 0 3 237.303 0.989 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000423211835 412281984 /nfs/dbraw/zinc/28/19/84/412281984.db2.gz ZEXCXKBNYBEVNG-KNZXXDILSA-N 0 3 238.331 0.811 20 0 BCADHN NC1(C(=O)NCCc2ncc[nH]2)CC2(CCC2)C1 ZINC000662730817 412287245 /nfs/dbraw/zinc/28/72/45/412287245.db2.gz QEKITPGIZPOITL-UHFFFAOYSA-N 0 3 248.330 0.730 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)Nc1ccon1 ZINC000335009861 412221673 /nfs/dbraw/zinc/22/16/73/412221673.db2.gz LSYATIDHRWOKED-SECBINFHSA-N 0 3 238.291 1.233 20 0 BCADHN COC1CC(CCNC(=O)[C@H](N)C(C)C)C1 ZINC000662600889 412233863 /nfs/dbraw/zinc/23/38/63/412233863.db2.gz IFPRXRSHTYIBGU-VQXHTEKXSA-N 0 3 228.336 0.901 20 0 BCADHN CC[C@@H](N)C(=O)NCCC1CC(OC)C1 ZINC000662602112 412234850 /nfs/dbraw/zinc/23/48/50/412234850.db2.gz PEIMQNHHJLKPLD-UDNWOFFPSA-N 0 3 214.309 0.655 20 0 BCADHN CN(CCO)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665362964 412287968 /nfs/dbraw/zinc/28/79/68/412287968.db2.gz PLHUSPKZUOAFOJ-JTQLQIEISA-N 0 3 243.351 0.493 20 0 BCADHN COC[C@@H](CCNC(=O)[C@H](N)C1CCC1)OC ZINC000662618423 412245110 /nfs/dbraw/zinc/24/51/10/412245110.db2.gz XJQKLTXVWDNLGU-GHMZBOCLSA-N 0 3 244.335 0.282 20 0 BCADHN CC[C@@H](N)C(=O)NCCc1cnccc1C ZINC000662629622 412248693 /nfs/dbraw/zinc/24/86/93/412248693.db2.gz WBWXIZCCAAFFQC-LLVKDONJSA-N 0 3 221.304 0.786 20 0 BCADHN CN(CCO)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665362965 412288259 /nfs/dbraw/zinc/28/82/59/412288259.db2.gz PLHUSPKZUOAFOJ-SNVBAGLBSA-N 0 3 243.351 0.493 20 0 BCADHN CN1CCC(n2ccc(NC(=O)C3CC3)n2)CC1 ZINC000336517691 412249391 /nfs/dbraw/zinc/24/93/91/412249391.db2.gz VNCWVJBCPVLXRI-UHFFFAOYSA-N 0 3 248.330 1.498 20 0 BCADHN CC(C)NCC(=O)N1CCc2nccnc2C1 ZINC000662734669 412288272 /nfs/dbraw/zinc/28/82/72/412288272.db2.gz SBRHLOXODORVRP-UHFFFAOYSA-N 0 3 234.303 0.359 20 0 BCADHN CN1CCC[C@@H]1CNc1cc(C#N)ncn1 ZINC000380552921 412251527 /nfs/dbraw/zinc/25/15/27/412251527.db2.gz KIYGURBUXOHWOO-SNVBAGLBSA-N 0 3 217.276 0.854 20 0 BCADHN CN1CCC[C@@H](CNc2ccc3nncn3n2)C1 ZINC000569662695 412251613 /nfs/dbraw/zinc/25/16/13/412251613.db2.gz AEVVEJQOGRHDEH-JTQLQIEISA-N 0 3 246.318 0.878 20 0 BCADHN O=C(N[C@H]1CCOC1)C1(NC2CC2)CCC1 ZINC000662793646 412305576 /nfs/dbraw/zinc/30/55/76/412305576.db2.gz LCMXXEDOXLGJFS-JTQLQIEISA-N 0 3 224.304 0.566 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C2(NC3CC3)CCC2)CO1 ZINC000662825433 412312632 /nfs/dbraw/zinc/31/26/32/412312632.db2.gz UOKXUHGDBZWSPH-ONGXEEELSA-N 0 3 238.331 0.955 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)N(C)Cc2c[nH]cn2)C1 ZINC000662839735 412318093 /nfs/dbraw/zinc/31/80/93/412318093.db2.gz WMJXKQZXWUQIHZ-GXSJLCMTSA-N 0 3 236.319 0.756 20 0 BCADHN CNCC(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000663000785 412366685 /nfs/dbraw/zinc/36/66/85/412366685.db2.gz MJNLYMMYPKIKOH-GMSGAONNSA-N 0 3 236.262 0.477 20 0 BCADHN CC[C@@H](N)C(=O)NC1(COC)CCCC1 ZINC000662848222 412320802 /nfs/dbraw/zinc/32/08/02/412320802.db2.gz WJROSEFWZQIRKD-SECBINFHSA-N 0 3 214.309 0.799 20 0 BCADHN CC(C)c1cc(NC(=O)[C@H]2CCN2)n[nH]1 ZINC000335407992 412321457 /nfs/dbraw/zinc/32/14/57/412321457.db2.gz KUTHSJCELLNGMI-SSDOTTSWSA-N 0 3 208.265 0.834 20 0 BCADHN COc1ccc(CN(C)C(=O)CN)cn1 ZINC000662849890 412321678 /nfs/dbraw/zinc/32/16/78/412321678.db2.gz PEHCFWPPKQEMIG-UHFFFAOYSA-N 0 3 209.249 0.007 20 0 BCADHN CC[C@H]1CO[C@@H](C)CN1C(=O)CNC1CC1 ZINC000037395056 171672689 /nfs/dbraw/zinc/67/26/89/171672689.db2.gz LXGMQOITFPLXND-ONGXEEELSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](COC)C1CCOCC1 ZINC000662850450 412321990 /nfs/dbraw/zinc/32/19/90/412321990.db2.gz OMUMKZWBUCWOKO-MNOVXSKESA-N 0 3 244.335 0.282 20 0 BCADHN NC1(C(=O)N[C@@H](CO)C2CCC2)CCCCC1 ZINC000662850727 412321997 /nfs/dbraw/zinc/32/19/97/412321997.db2.gz VHMSLJOVVBUPPS-NSHDSACASA-N 0 3 240.347 0.925 20 0 BCADHN CC(C)c1nnc(NC[C@@H]2CNCCO2)s1 ZINC000333686195 412323544 /nfs/dbraw/zinc/32/35/44/412323544.db2.gz PIHIFJQLTKSART-QMMMGPOBSA-N 0 3 242.348 1.062 20 0 BCADHN C[C@H](N)C(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000663001426 412366921 /nfs/dbraw/zinc/36/69/21/412366921.db2.gz UQSUOIVYESFACV-BYULHYEWSA-N 0 3 236.262 0.605 20 0 BCADHN COC[C@H](NC(=O)CN)c1cccc(OC)c1 ZINC000662859282 412328452 /nfs/dbraw/zinc/32/84/52/412328452.db2.gz PLXTZNCKVRPTTN-NSHDSACASA-N 0 3 238.287 0.458 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)COC1(C)CNC1 ZINC000219029571 412329857 /nfs/dbraw/zinc/32/98/57/412329857.db2.gz MLCAPMKOIWPJHJ-RKDXNWHRSA-N 0 3 212.293 0.280 20 0 BCADHN CN[C@@H](C)C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000663001700 412367020 /nfs/dbraw/zinc/36/70/20/412367020.db2.gz IBJUUFGTQLQYRA-XVKPBYJWSA-N 0 3 236.262 0.477 20 0 BCADHN COCCN1CCC[C@H]1CNc1cccnn1 ZINC000557562291 412368409 /nfs/dbraw/zinc/36/84/09/412368409.db2.gz CGZOKKCHLRRKAJ-NSHDSACASA-N 0 3 236.319 0.999 20 0 BCADHN C[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CCCCN1)C2 ZINC000662880354 412334424 /nfs/dbraw/zinc/33/44/24/412334424.db2.gz KGCUIZPRFZKBFZ-GMXVVIOVSA-N 0 3 238.331 0.623 20 0 BCADHN C[C@@]12COC[C@@H]1CN(C(=O)C1(N)CCCC1)C2 ZINC000662879946 412335282 /nfs/dbraw/zinc/33/52/82/412335282.db2.gz HBFNSTHJXCIEBO-CMPLNLGQSA-N 0 3 238.331 0.753 20 0 BCADHN Cc1cncc(NC(=O)COC2(C)CNC2)c1 ZINC000219044593 412335632 /nfs/dbraw/zinc/33/56/32/412335632.db2.gz JKZWLWPJOSALFJ-UHFFFAOYSA-N 0 3 235.287 0.707 20 0 BCADHN COc1ccc(N(C)C(=O)CNC2CC2)cn1 ZINC000662897203 412338258 /nfs/dbraw/zinc/33/82/58/412338258.db2.gz GZUPQBNSXJYNKS-UHFFFAOYSA-N 0 3 235.287 0.805 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)c1nccn1CC ZINC000662899616 412339973 /nfs/dbraw/zinc/33/99/73/412339973.db2.gz GXDOMEZLASMRDY-DTWKUNHWSA-N 0 3 224.308 0.818 20 0 BCADHN CCn1ccnc1[C@@H](C)NC(=O)CNC ZINC000662900428 412340278 /nfs/dbraw/zinc/34/02/78/412340278.db2.gz OQXLPBATHFYOGU-MRVPVSSYSA-N 0 3 210.281 0.300 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000662907983 412342702 /nfs/dbraw/zinc/34/27/02/412342702.db2.gz RMLKKVPRKRVMAS-YPMHNXCESA-N 0 3 240.347 0.999 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000662911534 412343334 /nfs/dbraw/zinc/34/33/34/412343334.db2.gz RGCBTVSMCGDKBL-ZYHUDNBSSA-N 0 3 226.320 0.753 20 0 BCADHN COCCNCC(=O)NC(C)(C1CC1)C1CC1 ZINC000662915332 412344627 /nfs/dbraw/zinc/34/46/27/412344627.db2.gz KZJPKHSSHOMUKG-UHFFFAOYSA-N 0 3 240.347 0.917 20 0 BCADHN CCCCc1cc(NC(=O)[C@H](CN)OC)n[nH]1 ZINC000569452571 412345061 /nfs/dbraw/zinc/34/50/61/412345061.db2.gz MTGBIEWCIJCVDR-VIFPVBQESA-N 0 3 240.307 0.665 20 0 BCADHN NC1(C(=O)N2CC[C@@H]3COC[C@H]3C2)CCCC1 ZINC000662919990 412345595 /nfs/dbraw/zinc/34/55/95/412345595.db2.gz PUMZNGSKRKSAKS-GHMZBOCLSA-N 0 3 238.331 0.753 20 0 BCADHN CO[C@H](CNC(=O)CN)C1CCCC1 ZINC000662919497 412345937 /nfs/dbraw/zinc/34/59/37/412345937.db2.gz CABOHFYHGXMWOL-SECBINFHSA-N 0 3 200.282 0.267 20 0 BCADHN NC1(C(=O)N2CC[C@H]3COC[C@H]3C2)CCCC1 ZINC000662919993 412346420 /nfs/dbraw/zinc/34/64/20/412346420.db2.gz PUMZNGSKRKSAKS-WDEREUQCSA-N 0 3 238.331 0.753 20 0 BCADHN O=C([C@H]1CCCCN1)N1CCc2nccnc2C1 ZINC000662929708 412348268 /nfs/dbraw/zinc/34/82/68/412348268.db2.gz GDQRDXITYWZSOZ-LLVKDONJSA-N 0 3 246.314 0.503 20 0 BCADHN C[C@@H](NC(=O)C1(N)CCCC1)c1nccn1C ZINC000662934724 412349152 /nfs/dbraw/zinc/34/91/52/412349152.db2.gz PUOASIRNXCWWRP-SECBINFHSA-N 0 3 236.319 0.869 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)c1nccn1C ZINC000662935211 412349198 /nfs/dbraw/zinc/34/91/98/412349198.db2.gz TUGYISZNHBIEPF-JGVFFNPUSA-N 0 3 210.281 0.335 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)c1nccn1C ZINC000662935730 412349495 /nfs/dbraw/zinc/34/94/95/412349495.db2.gz YQGNDTUDSKXRCM-UWVGGRQHSA-N 0 3 238.335 0.971 20 0 BCADHN O=C(CCCF)NCCN1CCCC1 ZINC000665531906 412349850 /nfs/dbraw/zinc/34/98/50/412349850.db2.gz SYLXYTNPPMFIKL-UHFFFAOYSA-N 0 3 202.273 0.948 20 0 BCADHN O=C(Cc1ccc(=O)[nH]c1)NCCN1CCCC1 ZINC000665531571 412349959 /nfs/dbraw/zinc/34/99/59/412349959.db2.gz GGXUSGONWXPQQV-UHFFFAOYSA-N 0 3 249.314 0.542 20 0 BCADHN O=C(CCc1ccon1)NCCN1CCCC1 ZINC000665532084 412350783 /nfs/dbraw/zinc/35/07/83/412350783.db2.gz ZXLLYINWMNUNPZ-UHFFFAOYSA-N 0 3 237.303 0.819 20 0 BCADHN CC[C@@H](N)C(=O)N(C)CC1=CCSC1 ZINC000662952300 412351958 /nfs/dbraw/zinc/35/19/58/412351958.db2.gz SWMUSIVCQCYTAO-SECBINFHSA-N 0 3 214.334 0.855 20 0 BCADHN CNCC(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000662949226 412352313 /nfs/dbraw/zinc/35/23/13/412352313.db2.gz AQYMGVGDONKUDU-SSDOTTSWSA-N 0 3 240.225 0.386 20 0 BCADHN CNCC(=O)N(C)CC1=CCSC1 ZINC000662951308 412352383 /nfs/dbraw/zinc/35/23/83/412352383.db2.gz LBFFPETWOPJRMH-UHFFFAOYSA-N 0 3 200.307 0.337 20 0 BCADHN O=C(NCCOCCF)[C@H]1CCCCN1 ZINC000663005340 412367889 /nfs/dbraw/zinc/36/78/89/412367889.db2.gz TXPONHGILZDSTN-SECBINFHSA-N 0 3 218.272 0.231 20 0 BCADHN Cc1cn(C)nc1NC(=O)[C@@H]1CCCCN1 ZINC000662970494 412360740 /nfs/dbraw/zinc/36/07/40/412360740.db2.gz KNFNMTFAQQCEMS-VIFPVBQESA-N 0 3 222.292 0.809 20 0 BCADHN CCN(C)C(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN ZINC000662987580 412362460 /nfs/dbraw/zinc/36/24/60/412362460.db2.gz WEVXOMCEZFMOAZ-ZJUUUORDSA-N 0 3 241.335 0.051 20 0 BCADHN 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ZINC000662756673 412293053 /nfs/dbraw/zinc/29/30/53/412293053.db2.gz JBNFHGTUUNGKPI-LLVKDONJSA-N 0 3 236.319 0.549 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000573577033 412296610 /nfs/dbraw/zinc/29/66/10/412296610.db2.gz PQHWQRAXYQLDHZ-CBAPKCEASA-N 0 3 238.291 0.808 20 0 BCADHN CCn1cnc(C(=O)N2CCN[C@@H](C)[C@@H]2C)c1 ZINC000662774829 412297869 /nfs/dbraw/zinc/29/78/69/412297869.db2.gz OTTIKUDVOJVIDE-UWVGGRQHSA-N 0 3 236.319 0.725 20 0 BCADHN Cc1cc(CC(=O)N2CCN[C@@H](C)[C@@H]2C)on1 ZINC000662776778 412299202 /nfs/dbraw/zinc/29/92/02/412299202.db2.gz ZXNUOIZZFOEWMY-UWVGGRQHSA-N 0 3 237.303 0.734 20 0 BCADHN CC[C@H](NC)C(=O)N1CCCn2nccc21 ZINC000662787983 412303332 /nfs/dbraw/zinc/30/33/32/412303332.db2.gz FCNVEOYNBOSMGB-VIFPVBQESA-N 0 3 222.292 0.618 20 0 BCADHN N[C@H](CC(F)F)C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000566066027 412303466 /nfs/dbraw/zinc/30/34/66/412303466.db2.gz WYWLBUGPNMYYTF-ZCFIWIBFSA-N 0 3 244.245 1.208 20 0 BCADHN CO[C@H](C)CNC(=O)C1(NC2CC2)CCC1 ZINC000662791292 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PYYFIRFMMXRPKV-UHFFFAOYSA-N 0 3 214.309 0.527 20 0 BCADHN COc1ccc2c(c1)CCN2C(=O)[C@H](C)N ZINC000083902314 175208939 /nfs/dbraw/zinc/20/89/39/175208939.db2.gz NCHXMDMDIFWHIY-QMMMGPOBSA-N 0 3 220.272 0.932 20 0 BCADHN COc1cccc(CN(CCO)CCCO)c1 ZINC000078601964 175257417 /nfs/dbraw/zinc/25/74/17/175257417.db2.gz HJYQXYXEOFQVRG-UHFFFAOYSA-N 0 3 239.315 0.872 20 0 BCADHN COc1cccc(CNCCC(N)=O)c1OC ZINC000036746915 175263906 /nfs/dbraw/zinc/26/39/06/175263906.db2.gz ZGMXJPJBGHDXNN-UHFFFAOYSA-N 0 3 238.287 0.669 20 0 BCADHN COc1cccc(CNC[C@@]2(O)CCOC2)n1 ZINC000191484260 175264395 /nfs/dbraw/zinc/26/43/95/175264395.db2.gz GVDGOFHHDPKCDX-LBPRGKRZSA-N 0 3 238.287 0.331 20 0 BCADHN COc1cccc(CNC[C@@H](O)CO)c1 ZINC000078429932 175264611 /nfs/dbraw/zinc/26/46/11/175264611.db2.gz QYSPYRBJVRNRDL-SNVBAGLBSA-N 0 3 211.261 0.138 20 0 BCADHN COc1cccc(NC(=O)[C@H](CN)OC)c1 ZINC000227345185 175277614 /nfs/dbraw/zinc/27/76/14/175277614.db2.gz DHNDGSFXJOGESI-JTQLQIEISA-N 0 3 224.260 0.607 20 0 BCADHN COc1ccccc1CNC[C@H](O)CO ZINC000037852923 175330426 /nfs/dbraw/zinc/33/04/26/175330426.db2.gz VEILBODSZJOJDX-JTQLQIEISA-N 0 3 211.261 0.138 20 0 BCADHN COc1ccccc1[C@H]1CNCCN1C(=O)CN ZINC000369114397 175355445 /nfs/dbraw/zinc/35/54/45/175355445.db2.gz BOQGWUIYWJHSJP-LLVKDONJSA-N 0 3 249.314 0.127 20 0 BCADHN CSCCN[C@@H](C(N)=O)C(C)(C)C ZINC000119943810 175499106 /nfs/dbraw/zinc/49/91/06/175499106.db2.gz VNDULWUDHPEKPS-ZETCQYMHSA-N 0 3 204.339 0.839 20 0 BCADHN CSC[C@@H](O)CN1CCCC[C@H]1C(=N)NO ZINC000376936116 175515386 /nfs/dbraw/zinc/51/53/86/175515386.db2.gz BBERHCYFWMTTPB-IUCAKERBSA-N 0 3 247.364 0.521 20 0 BCADHN CS[C@@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC000336237045 175549578 /nfs/dbraw/zinc/54/95/78/175549578.db2.gz HVALDNYAUQENLA-RKDXNWHRSA-N 0 3 214.334 0.702 20 0 BCADHN CC(C(=O)N(C)[C@H](C)C1CC1)S(C)(=O)=O ZINC000340337959 175602173 /nfs/dbraw/zinc/60/21/73/175602173.db2.gz FEXSOPHNWGDWGD-SFYZADRCSA-N 0 3 233.333 0.676 20 0 BCADHN C[C@@H](CCCCO)NCc1cn(C)nn1 ZINC000309024390 175664107 /nfs/dbraw/zinc/66/41/07/175664107.db2.gz ZAJUWUNFMITSKD-VIFPVBQESA-N 0 3 212.297 0.456 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCCC1(O)CCC1 ZINC000356210692 175696247 /nfs/dbraw/zinc/69/62/47/175696247.db2.gz DEEUHIIGALGHCN-JTQLQIEISA-N 0 3 243.351 0.541 20 0 BCADHN C[C@@H](CN(C)C)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000336659566 175699511 /nfs/dbraw/zinc/69/95/11/175699511.db2.gz CAFZMVNLPPNLIU-IUCAKERBSA-N 0 3 224.308 0.783 20 0 BCADHN CO[C@](C)(CO)CN[C@H]1CO[C@H](C2CC2)C1 ZINC000668293904 487631553 /nfs/dbraw/zinc/63/15/53/487631553.db2.gz MAPYJRMDYYJLCR-WOPDTQHZSA-N 0 3 229.320 0.541 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCCn1cccn1 ZINC000159235910 175764126 /nfs/dbraw/zinc/76/41/26/175764126.db2.gz RKFLCKDZZMHOKF-JTQLQIEISA-N 0 3 245.348 0.296 20 0 BCADHN C[C@@H](N)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000336286713 175793638 /nfs/dbraw/zinc/79/36/38/175793638.db2.gz JCZBBWRZUGMKOQ-PSASIEDQSA-N 0 3 211.309 0.029 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccon2)C1 ZINC000674831005 487631831 /nfs/dbraw/zinc/63/18/31/487631831.db2.gz GEJHTOKTYDJROJ-MWLCHTKSSA-N 0 3 237.303 0.674 20 0 BCADHN C[C@@H](NCC1(S(C)(=O)=O)CC1)[C@@H]1CCCO1 ZINC000309595413 175869303 /nfs/dbraw/zinc/86/93/03/175869303.db2.gz WCBULXXCOJWPNF-ZJUUUORDSA-N 0 3 247.360 0.721 20 0 BCADHN C[C@@H]1CCCN(CC(=O)N2CCNC2=O)CC1 ZINC000119707694 176096429 /nfs/dbraw/zinc/09/64/29/176096429.db2.gz DRKBPZTVKRTVSY-SNVBAGLBSA-N 0 3 239.319 0.660 20 0 BCADHN C[C@@H]1CCC[C@@H](CO)N1CCn1cncn1 ZINC000336703697 176119666 /nfs/dbraw/zinc/11/96/66/176119666.db2.gz OJRKTYUAYFPMFO-MNOVXSKESA-N 0 3 224.308 0.513 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000308514793 176159813 /nfs/dbraw/zinc/15/98/13/176159813.db2.gz UNGBMPRZBGTKSK-RQJHMYQMSA-N 0 3 206.236 0.837 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000308514400 176161368 /nfs/dbraw/zinc/16/13/68/176161368.db2.gz UNGBMPRZBGTKSK-RNFRBKRXSA-N 0 3 206.236 0.837 20 0 BCADHN C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cncc([O-])c1 ZINC000339951407 176166866 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/nfs/dbraw/zinc/18/42/91/176184291.db2.gz CYVJIAJJMQTCLO-KOLCDFICSA-N 0 3 221.304 0.639 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCCOCC1CC1 ZINC000193569330 176184525 /nfs/dbraw/zinc/18/45/25/176184525.db2.gz SQJVIMCAQJFPHW-KOLCDFICSA-N 0 3 226.320 0.527 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NCC2CCOCC2)C1 ZINC000127224780 176186556 /nfs/dbraw/zinc/18/65/56/176186556.db2.gz BEAVVSNNNFJXAF-ZYHUDNBSSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NC[C@@H]2CCCOC2)C1 ZINC000126800803 176187259 /nfs/dbraw/zinc/18/72/59/176187259.db2.gz BEPMIZBWBBLVRC-WOPDTQHZSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@@H]1CCOCCN1CCn1cncn1 ZINC000375000867 176188465 /nfs/dbraw/zinc/18/84/65/176188465.db2.gz YZCMTEZSIDDAMU-SNVBAGLBSA-N 0 3 210.281 0.389 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC(O)CC1 ZINC000336399054 176198615 /nfs/dbraw/zinc/19/86/15/176198615.db2.gz IYZMGKGCUQPQTO-GHMZBOCLSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC(CO)C1 ZINC000336588667 176198661 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ZINC000337338192 176291252 /nfs/dbraw/zinc/29/12/52/176291252.db2.gz PTYUNLJELRASDQ-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H]1CN(CCN2CCOCC[C@H]2C)CCO1 ZINC000374290747 176291326 /nfs/dbraw/zinc/29/13/26/176291326.db2.gz GIKMUMLKKKFSKO-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@H]1CN(CCN(C)CCC(N)=O)CCO1 ZINC000330619248 176291672 /nfs/dbraw/zinc/29/16/72/176291672.db2.gz YWWNYIKMFJXPHE-SNVBAGLBSA-N 0 3 229.324 0.564 20 0 BCADHN C[C@@H]1CN(CCn2cncn2)C[C@@H](C)N1C ZINC000336894923 176296291 /nfs/dbraw/zinc/29/62/91/176296291.db2.gz YBUGAIXYSNEJDG-GHMZBOCLSA-N 0 3 223.324 0.303 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCSC2)C[C@@H](C(N)=O)O1 ZINC000365933059 176297395 /nfs/dbraw/zinc/29/73/95/176297395.db2.gz VPYLQOUCYSMWAF-UTLUCORTSA-N 0 3 244.360 0.314 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CN(C)C2CC2)CCC1=O ZINC000336728874 176298938 /nfs/dbraw/zinc/29/89/38/176298938.db2.gz XAPADFHPQPWVDJ-ZYHUDNBSSA-N 0 3 240.347 0.352 20 0 BCADHN C[C@@H]1CN(C[C@@](C)(O)C(F)(F)F)C[C@@H]1O ZINC000337173802 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/nfs/dbraw/zinc/80/60/85/262806085.db2.gz MNVCNRRYUUUCQO-UHFFFAOYSA-N 0 3 247.364 0.057 20 0 BCADHN O[C@@H](CNCC1(F)CC1)[C@@H]1CCCO1 ZINC000527757708 262879826 /nfs/dbraw/zinc/87/98/26/262879826.db2.gz QPCBHIXSPBUZFQ-IUCAKERBSA-N 0 3 203.257 0.618 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397815222 262935464 /nfs/dbraw/zinc/93/54/64/262935464.db2.gz KPRLSLJNEKCVJA-UTINFBMNSA-N 0 3 228.361 0.982 20 0 BCADHN CN1CCC[C@H]1CNC(=O)c1cccnn1 ZINC000528563378 262959880 /nfs/dbraw/zinc/95/98/80/262959880.db2.gz WWAYGDDCMIYJSP-VIFPVBQESA-N 0 3 220.276 0.301 20 0 BCADHN CCNC(=O)CN[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528753616 262970176 /nfs/dbraw/zinc/97/01/76/262970176.db2.gz MJBPMNFQRQKEFS-DKIAZLNASA-N 0 3 214.309 0.524 20 0 BCADHN CO[C@H]1C[C@@H](N(C)CCCCS(C)(=O)=O)C1 ZINC000671704963 487699236 /nfs/dbraw/zinc/69/92/36/487699236.db2.gz BGVIFJJONBJTCI-PHIMTYICSA-N 0 3 249.376 0.920 20 0 BCADHN CC(C)CCS(=O)(=O)NCCNC1CC1 ZINC000082629207 487700064 /nfs/dbraw/zinc/70/00/64/487700064.db2.gz UAQUMQPBJYXYHA-UHFFFAOYSA-N 0 3 234.365 0.704 20 0 BCADHN Cn1ccc(CN2CCC(C)(O)CC2)cc1=O ZINC000675315835 487700913 /nfs/dbraw/zinc/70/09/13/487700913.db2.gz WZPYJEUGFZNIEN-UHFFFAOYSA-N 0 3 236.315 0.732 20 0 BCADHN CC[C@](C)(N)c1cn([C@H]2CCN(C)C2=O)nn1 ZINC000384228034 487701732 /nfs/dbraw/zinc/70/17/32/487701732.db2.gz VXBLROBPUNQNLD-KWQFWETISA-N 0 3 237.307 0.265 20 0 BCADHN CC[C@@](C)(N)c1cn([C@H]2CCN(C)C2=O)nn1 ZINC000384228029 487701912 /nfs/dbraw/zinc/70/19/12/487701912.db2.gz VXBLROBPUNQNLD-GZMMTYOYSA-N 0 3 237.307 0.265 20 0 BCADHN COc1ncccc1C(=O)N1CCNCC1(C)C ZINC000088138553 487705433 /nfs/dbraw/zinc/70/54/33/487705433.db2.gz ATUDFARNYSEBHQ-UHFFFAOYSA-N 0 3 249.314 0.914 20 0 BCADHN CC1(C)CN(C[C@H]2CCCO2)CCN1CCO ZINC000682032487 487705592 /nfs/dbraw/zinc/70/55/92/487705592.db2.gz IUIJSBBXWCKNKF-GFCCVEGCSA-N 0 3 242.363 0.554 20 0 BCADHN CNC(=O)CCNCc1cn(C(C)C)nc1C ZINC000281523931 487712324 /nfs/dbraw/zinc/71/23/24/487712324.db2.gz 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0.623 20 0 BCADHN COC[C@@H](NC(=O)COC1(C)CNC1)C(C)C ZINC000098061476 487719397 /nfs/dbraw/zinc/71/93/97/487719397.db2.gz HFNSBLURUUNEJE-SNVBAGLBSA-N 0 3 244.335 0.152 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](CO)C(C)C ZINC000086125009 487719609 /nfs/dbraw/zinc/71/96/09/487719609.db2.gz PYQAWGYCGDGDQB-KOLCDFICSA-N 0 3 216.325 0.637 20 0 BCADHN C[C@H]1COCCCN1CCN1CCOCC1 ZINC000676711808 487719793 /nfs/dbraw/zinc/71/97/93/487719793.db2.gz IWUHILJIWQBTMY-LBPRGKRZSA-N 0 3 228.336 0.429 20 0 BCADHN C[C@@]1(O)CCN(Cc2cnc3n2CCC3)C1 ZINC000667688503 487720750 /nfs/dbraw/zinc/72/07/50/487720750.db2.gz VHSOTYLEPZCQIF-GFCCVEGCSA-N 0 3 221.304 0.786 20 0 BCADHN CC(=O)CCC(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000309704954 487722446 /nfs/dbraw/zinc/72/24/46/487722446.db2.gz HLZGPQYGUFTVAU-GHMZBOCLSA-N 0 3 226.320 0.907 20 0 BCADHN CN1CCN(C(=O)C[C@@H]2C=CCC2)[C@H](CN)C1 ZINC000250371547 487731691 /nfs/dbraw/zinc/73/16/91/487731691.db2.gz IVNZLBRMUIKNDD-VXGBXAGGSA-N 0 3 237.347 0.444 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000310190118 487739211 /nfs/dbraw/zinc/73/92/11/487739211.db2.gz PUYKXQWPMKZWTN-XXILOJSOSA-N 0 3 234.299 0.369 20 0 BCADHN C[C@@H](c1ccncc1)N1C[C@H](O)C[C@H]1CO ZINC000681167486 487740528 /nfs/dbraw/zinc/74/05/28/487740528.db2.gz TYAILZKVKZITAQ-ZMLRMANQSA-N 0 3 222.288 0.570 20 0 BCADHN CCN(CCNC(=O)c1n[nH]cc1C)C1CC1 ZINC000669601132 487743357 /nfs/dbraw/zinc/74/33/57/487743357.db2.gz LDFXMQUKDGQQEL-UHFFFAOYSA-N 0 3 236.319 0.932 20 0 BCADHN C[C@@H]1CN(Cc2ccn(C)c(=O)c2)[C@@H](C)CN1C ZINC000678172060 487745657 /nfs/dbraw/zinc/74/56/57/487745657.db2.gz ADGMLCATSSUIPK-NEPJUHHUSA-N 0 3 249.358 0.910 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)C(C)(C)O)N(C)C ZINC000665749391 487755679 /nfs/dbraw/zinc/75/56/79/487755679.db2.gz YEBLMOYSYYYOGG-BDAKNGLRSA-N 0 3 216.325 0.602 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CC[C@H](OC)C1 ZINC000234018135 487757037 /nfs/dbraw/zinc/75/70/37/487757037.db2.gz LMPLAKVUFQPQNK-CIUDSAMLSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCC(=O)N2)CCCO1 ZINC000649506555 487756765 /nfs/dbraw/zinc/75/67/65/487756765.db2.gz REQAOWVJEDJTDW-ZJUUUORDSA-N 0 3 212.293 0.376 20 0 BCADHN CO[C@@H](C)C(=O)NCCN1CCC[C@H]1C ZINC000744347795 585149350 /nfs/dbraw/zinc/14/93/50/585149350.db2.gz CPRKJFPTTWSOLP-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CN(C)C[C@@H]1CCCN1c1nccn(C)c1=O ZINC000675636100 487757569 /nfs/dbraw/zinc/75/75/69/487757569.db2.gz ZEANXQPKQFOHGV-JTQLQIEISA-N 0 3 236.319 0.311 20 0 BCADHN C[C@@H](N(C)CCS(N)(=O)=O)C1(C)CC1 ZINC000752355423 585244891 /nfs/dbraw/zinc/24/48/91/585244891.db2.gz AYQXNMVXVLBORG-MRVPVSSYSA-N 0 3 220.338 0.395 20 0 BCADHN CO[C@H](CNC1CSC1)[C@H]1CCOC1 ZINC000668445031 487766171 /nfs/dbraw/zinc/76/61/71/487766171.db2.gz WBNPQASFCCNIPQ-WCBMZHEXSA-N 0 3 217.334 0.743 20 0 BCADHN COC[C@@](C)(CO)NCc1cccc2nccn21 ZINC000679118203 487767049 /nfs/dbraw/zinc/76/70/49/487767049.db2.gz UDACEXJLMURESU-CYBMUJFWSA-N 0 3 249.314 0.821 20 0 BCADHN CO[C@H](C(=O)NC[C@@H](C)N(C)C)[C@@H]1CCOC1 ZINC000666243350 487767407 /nfs/dbraw/zinc/76/74/07/487767407.db2.gz GUCNYXUDTHNDCM-MXWKQRLJSA-N 0 3 244.335 0.104 20 0 BCADHN CO[C@@H]1CC[C@@H](C(=O)NC[C@@H](C)N(C)C)C1 ZINC000666243218 487767487 /nfs/dbraw/zinc/76/74/87/487767487.db2.gz DHFYODFICBGMJP-GMTAPVOTSA-N 0 3 228.336 0.868 20 0 BCADHN CCn1nccc1C(=O)NCC1=CCN(C)CC1 ZINC000681291006 487770706 /nfs/dbraw/zinc/77/07/06/487770706.db2.gz SWYHORLHSFGFQR-UHFFFAOYSA-N 0 3 248.330 0.895 20 0 BCADHN CCO[C@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC000675730778 487771834 /nfs/dbraw/zinc/77/18/34/487771834.db2.gz LFXYASYGTHXLQF-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@H](C(=O)NCCCn1cncn1)N(C)C ZINC000675748504 487773652 /nfs/dbraw/zinc/77/36/52/487773652.db2.gz JCARYJQIBLGUSJ-SNVBAGLBSA-N 0 3 239.323 0.125 20 0 BCADHN CNC(=O)CCN[C@@H](C)c1cnc(C)nc1C ZINC000675771385 487776931 /nfs/dbraw/zinc/77/69/31/487776931.db2.gz PQVQVIXDKGQMLE-QMMMGPOBSA-N 0 3 236.319 0.880 20 0 BCADHN CNCC(=O)NCCN1CCCc2ccccc21 ZINC000077418180 487783440 /nfs/dbraw/zinc/78/34/40/487783440.db2.gz DLLMWPYGYRLTHB-UHFFFAOYSA-N 0 3 247.342 0.775 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@H](O)C2CC2)C1 ZINC000668461941 487784769 /nfs/dbraw/zinc/78/47/69/487784769.db2.gz INIZASSEVDTKDF-GXSJLCMTSA-N 0 3 226.320 0.215 20 0 BCADHN C[C@@H](CN1CCCCC1)NC(=O)[C@H](O)C1CC1 ZINC000666316548 487785542 /nfs/dbraw/zinc/78/55/42/487785542.db2.gz DQKMBCULFFMKRE-CMPLNLGQSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644814089 487791258 /nfs/dbraw/zinc/79/12/58/487791258.db2.gz HXMZIENQPGYCRL-KOLCDFICSA-N 0 3 234.303 0.494 20 0 BCADHN COC[C@H](O)CN[C@@H]1CCCC[C@H]1F ZINC000566118918 487791861 /nfs/dbraw/zinc/79/18/61/487791861.db2.gz KFJHEMZUSSZAIA-OPRDCNLKSA-N 0 3 205.273 0.864 20 0 BCADHN C[C@@H](CNCC[C@@H](O)C(F)F)S(C)(=O)=O ZINC000634726307 487794663 /nfs/dbraw/zinc/79/46/63/487794663.db2.gz PXWVICVBEPHIRV-NKWVEPMBSA-N 0 3 245.291 0.025 20 0 BCADHN CON(C)C(=O)CN1CC[C@@H](C(C)C)C1 ZINC000774659223 585662976 /nfs/dbraw/zinc/66/29/76/585662976.db2.gz HWXOKILAPCHPJT-SNVBAGLBSA-N 0 3 214.309 0.984 20 0 BCADHN Cc1c[nH]nc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000669610266 487799141 /nfs/dbraw/zinc/79/91/41/487799141.db2.gz MPBYQTHBEQUGOO-GXSJLCMTSA-N 0 3 248.330 0.931 20 0 BCADHN COC1(C)CCN(CC2OCCO2)CC1 ZINC000777728406 585719378 /nfs/dbraw/zinc/71/93/78/585719378.db2.gz YSTFVSZIOHGZIP-UHFFFAOYSA-N 0 3 215.293 0.860 20 0 BCADHN C1CN([C@@H]2CCCOC2)C[C@@H]1N1CCOCC1 ZINC000674302625 487800115 /nfs/dbraw/zinc/80/01/15/487800115.db2.gz PLDLTEMVFQYNDU-CHWSQXEVSA-N 0 3 240.347 0.572 20 0 BCADHN COC[C@H](CO)N[C@H]1CS[C@@H](C)C1 ZINC000229057291 487812434 /nfs/dbraw/zinc/81/24/34/487812434.db2.gz DUGLJDGUSLSBHD-YIZRAAEISA-N 0 3 205.323 0.477 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1C[C@@H](OC)C1(C)C ZINC000234380037 487813794 /nfs/dbraw/zinc/81/37/94/487813794.db2.gz NSGSPSCGEDGDFA-XHNCKOQMSA-N 0 3 214.309 0.524 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000665886013 487814077 /nfs/dbraw/zinc/81/40/77/487814077.db2.gz PVMJTMPKFVVSBE-SRVKXCTJSA-N 0 3 240.347 0.605 20 0 BCADHN CC(C)(O)CC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000684277326 487814820 /nfs/dbraw/zinc/81/48/20/487814820.db2.gz BXGMYBWPUNKVSA-NSHDSACASA-N 0 3 240.347 0.748 20 0 BCADHN COC[C@H](CO)NCc1c(C)nc2ccccn21 ZINC000229078514 487815331 /nfs/dbraw/zinc/81/53/31/487815331.db2.gz YLVOKXJYBRRABT-NSHDSACASA-N 0 3 249.314 0.740 20 0 BCADHN Cc1cc(C[C@H](C)NC(=O)[C@H](C)N(C)C)n[nH]1 ZINC000676192102 487818921 /nfs/dbraw/zinc/81/89/21/487818921.db2.gz CYCWRZSMNQAWDT-WPRPVWTQSA-N 0 3 238.335 0.715 20 0 BCADHN c1cn(CCCN2CC[C@@H](n3cncn3)C2)cn1 ZINC000681604067 487822900 /nfs/dbraw/zinc/82/29/00/487822900.db2.gz ZJQLPFNLCWCDAC-GFCCVEGCSA-N 0 3 246.318 0.812 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CC[C@@H](n2cncn2)C1 ZINC000681628977 487826260 /nfs/dbraw/zinc/82/62/60/487826260.db2.gz QLIGXDPLNLHSBD-GHMZBOCLSA-N 0 3 249.318 0.146 20 0 BCADHN Cc1cc(CN[C@H](C)[C@H](C)O)nc(C)n1 ZINC000564868244 322944715 /nfs/dbraw/zinc/94/47/15/322944715.db2.gz DJFMSZDFJUBKEE-BDAKNGLRSA-N 0 3 209.293 0.952 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CC[C@H](n2cncn2)C1 ZINC000681628980 487826643 /nfs/dbraw/zinc/82/66/43/487826643.db2.gz QLIGXDPLNLHSBD-WDEREUQCSA-N 0 3 249.318 0.146 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCC[C@@H](O)C1 ZINC000558032272 322945399 /nfs/dbraw/zinc/94/53/99/322945399.db2.gz UADODYZVXPESSE-GARJFASQSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCO[C@H]1C ZINC000558031660 322945418 /nfs/dbraw/zinc/94/54/18/322945418.db2.gz POQLEVZSXRNALB-LPEHRKFASA-N 0 3 214.309 0.478 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)C(F)F ZINC000811170651 586556257 /nfs/dbraw/zinc/55/62/57/586556257.db2.gz LMZJGCIZKVZOLC-ZETCQYMHSA-N 0 3 206.236 0.852 20 0 BCADHN COC[C@H](O)CNCc1c(C)cc(C)[nH]c1=O ZINC000558053493 322945701 /nfs/dbraw/zinc/94/57/01/322945701.db2.gz NLZLGIXLPWTHIE-SNVBAGLBSA-N 0 3 240.303 0.501 20 0 BCADHN C[C@@H](CF)NC(=O)C1(N(C)C)CCC1 ZINC000817126746 586782658 /nfs/dbraw/zinc/78/26/58/586782658.db2.gz FQNVNFLKLPEKHA-QMMMGPOBSA-N 0 3 202.273 0.945 20 0 BCADHN CCNC(=O)CN[C@@H]1C[C@H](C)O[C@H]1C ZINC000395031136 487832102 /nfs/dbraw/zinc/83/21/02/487832102.db2.gz VFJZARBZNPZYDM-XHNCKOQMSA-N 0 3 200.282 0.278 20 0 BCADHN CCN1CCCN(CC[S@](C)=O)CC1 ZINC000827857145 587405585 /nfs/dbraw/zinc/40/55/85/587405585.db2.gz QXMWQBRAXSOJBT-AWEZNQCLSA-N 0 3 218.366 0.393 20 0 BCADHN CC[C@@]1(CO)CCCN(CC[S@@](C)=O)C1 ZINC000828329869 587435667 /nfs/dbraw/zinc/43/56/67/587435667.db2.gz VNMSDBBYCFHAOL-IAQYHMDHSA-N 0 3 233.377 0.849 20 0 BCADHN CSC(C)(C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000831012296 587582861 /nfs/dbraw/zinc/58/28/61/587582861.db2.gz KYYZDDWBGKHVEI-LLVKDONJSA-N 0 3 248.392 0.557 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1COC(C)(C)C1 ZINC000843432645 588109025 /nfs/dbraw/zinc/10/90/25/588109025.db2.gz GCBREXOZRJPXJK-VIFPVBQESA-N 0 3 230.308 0.553 20 0 BCADHN CCON(C)C(=O)CNCC1(SC)CC1 ZINC000846064737 588255144 /nfs/dbraw/zinc/25/51/44/588255144.db2.gz UPUWLOWYEHEUQU-UHFFFAOYSA-N 0 3 232.349 0.882 20 0 BCADHN CC(C(=O)NC(C)(C)C(F)F)S(C)(=O)=O ZINC000684344189 487839369 /nfs/dbraw/zinc/83/93/69/487839369.db2.gz NCTUAUCBZPHIQL-YFKPBYRVSA-N 0 3 243.275 0.579 20 0 BCADHN CCO/C=C\C(=O)N[C@@H](C)CN(C)C ZINC000493520753 528531619 /nfs/dbraw/zinc/53/16/19/528531619.db2.gz KGPQUYJTMIYGEL-NMTCXDENSA-N 0 3 200.282 0.603 20 0 BCADHN CN(C)CCNC(=O)NC[C@@]1(C)CC1(F)F ZINC000666603299 487839944 /nfs/dbraw/zinc/83/99/44/487839944.db2.gz ONPRTWMPRSLXRV-SECBINFHSA-N 0 3 235.278 0.893 20 0 BCADHN CC(C)[C@@H]1CN(Cc2ncnn2C)CCN1C ZINC000488069085 528749812 /nfs/dbraw/zinc/74/98/12/528749812.db2.gz DLDRRZQCMIGHRX-NSHDSACASA-N 0 3 237.351 0.587 20 0 BCADHN COCCOCCC(=O)NCCN1CCCC1 ZINC000067914109 322949299 /nfs/dbraw/zinc/94/92/99/322949299.db2.gz MLOYTUNEAKPTJY-UHFFFAOYSA-N 0 3 244.335 0.252 20 0 BCADHN CCN1CCCN(CC[S@](C)=O)[C@@H](C)C1 ZINC000852165853 588668910 /nfs/dbraw/zinc/66/89/10/588668910.db2.gz JEGOJKWDWRUKEX-NHYWBVRUSA-N 0 3 232.393 0.781 20 0 BCADHN C[C@@H]1CCN(CCOC(F)F)[C@@H]1CO ZINC000851972435 588649650 /nfs/dbraw/zinc/64/96/50/588649650.db2.gz NQZQPHZBKJTLHJ-HTQZYQBOSA-N 0 3 209.236 0.928 20 0 BCADHN COCC1(N(C)CCN2CCNC2=O)CC1 ZINC000676390994 487844653 /nfs/dbraw/zinc/84/46/53/487844653.db2.gz MYOSJDAJVSHDLN-UHFFFAOYSA-N 0 3 227.308 0.122 20 0 BCADHN CCN(CC1(CO)COC1)[C@@H]1CCCOC1 ZINC000402701038 487845270 /nfs/dbraw/zinc/84/52/70/487845270.db2.gz OWMZTNAEYROZFQ-LLVKDONJSA-N 0 3 229.320 0.496 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCC(C)(C)CO ZINC000676402920 487847701 /nfs/dbraw/zinc/84/77/01/487847701.db2.gz ZKMSZVDOFKBSDF-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@H](CCO)C1 ZINC000676407861 487847725 /nfs/dbraw/zinc/84/77/25/487847725.db2.gz HQYWBRFNEANNOQ-GFCCVEGCSA-N 0 3 242.363 0.949 20 0 BCADHN COCC[C@@H](N)C(=O)NC[C@H](C)SC ZINC000122305571 592711933 /nfs/dbraw/zinc/71/19/33/592711933.db2.gz PURZYBZMHWTJAI-JGVFFNPUSA-N 0 3 220.338 0.218 20 0 BCADHN CCC(CC)CNC(=O)[C@H](N)CCOC ZINC000130355176 592735388 /nfs/dbraw/zinc/73/53/88/592735388.db2.gz LXTGCEXHLQRWQS-SNVBAGLBSA-N 0 3 216.325 0.903 20 0 BCADHN CN(CCCF)C[C@@H](O)CC1(O)CCC1 ZINC000887142439 592454386 /nfs/dbraw/zinc/45/43/86/592454386.db2.gz KBYRTPLIMAPJMP-JTQLQIEISA-N 0 3 219.300 0.944 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@](O)(CC)C1 ZINC000495205230 529298832 /nfs/dbraw/zinc/29/88/32/529298832.db2.gz TXQYUDSDPJGXRF-WCBMZHEXSA-N 0 3 200.282 0.097 20 0 BCADHN CO[C@H](CN[C@H]1CCOC1)C(F)(F)F ZINC000308597038 631436446 /nfs/dbraw/zinc/43/64/46/631436446.db2.gz MYIQETYDLXDYJC-NKWVEPMBSA-N 0 3 213.199 0.942 20 0 BCADHN COCCNCC(=O)NC1CC(C)(C)C1 ZINC000395283494 487848835 /nfs/dbraw/zinc/84/88/35/487848835.db2.gz FCCPYKXXFZTHQQ-UHFFFAOYSA-N 0 3 214.309 0.527 20 0 BCADHN Cc1ccncc1CNCCc1nnnn1C ZINC000684391717 487855702 /nfs/dbraw/zinc/85/57/02/487855702.db2.gz GRPJMWNIFYOMMP-UHFFFAOYSA-N 0 3 232.291 0.246 20 0 BCADHN CCOCC[C@H](O)CN1CCCOCC1 ZINC000373118635 487858398 /nfs/dbraw/zinc/85/83/98/487858398.db2.gz UDVITUJREVMTNT-NSHDSACASA-N 0 3 217.309 0.496 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1CCc2nccn2C1 ZINC000373119960 487859961 /nfs/dbraw/zinc/85/99/61/487859961.db2.gz CXNWEMYOGWSUQB-KOLCDFICSA-N 0 3 236.319 0.297 20 0 BCADHN C[C@@H](NCc1cn2cccnc2n1)C1(CO)CC1 ZINC000668507596 487863155 /nfs/dbraw/zinc/86/31/55/487863155.db2.gz NPLBKUNPJSMSRV-SNVBAGLBSA-N 0 3 246.314 0.980 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@](O)(C2CC2)C1 ZINC000373243160 487864448 /nfs/dbraw/zinc/86/44/48/487864448.db2.gz NJFDGCVXSIJCSI-CYBMUJFWSA-N 0 3 240.347 0.702 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H](C)C1CCC1 ZINC000668508843 487864735 /nfs/dbraw/zinc/86/47/35/487864735.db2.gz XBZHTACALAWUIG-DVVUODLYSA-N 0 3 247.360 0.577 20 0 BCADHN CN1CCC[C@H](NC(=O)CCCCC(N)=O)C1 ZINC000681806894 487865795 /nfs/dbraw/zinc/86/57/95/487865795.db2.gz NUVFUAJNDKROGV-JTQLQIEISA-N 0 3 241.335 0.243 20 0 BCADHN COC[C@H]1CCCN(C(=O)CNC(C)C)C1 ZINC000234719864 487868680 /nfs/dbraw/zinc/86/86/80/487868680.db2.gz JUBOPBXUHWPYGI-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CCN(CC(=O)N(C)C)CC1(O)CCCC1 ZINC000676555680 487871391 /nfs/dbraw/zinc/87/13/91/487871391.db2.gz FBQLDSTYPJBAQE-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN CN(C(=O)c1ccc(N)cn1)C1CCN(C)CC1 ZINC000156760756 487871628 /nfs/dbraw/zinc/87/16/28/487871628.db2.gz UDFCIBOUPFKNHL-UHFFFAOYSA-N 0 3 248.330 0.830 20 0 BCADHN CO[C@H](C)CNC(=O)[C@H]1NCCCC1(C)C ZINC000234765918 487872546 /nfs/dbraw/zinc/87/25/46/487872546.db2.gz VQBAKNUQUWYKPN-NXEZZACHSA-N 0 3 228.336 0.916 20 0 BCADHN COC[C@H](OC)C(=O)N(C)CCN1CCCC1 ZINC000668199240 487873071 /nfs/dbraw/zinc/87/30/71/487873071.db2.gz NLYLBPHDJQTFLS-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN CC(C)(C)OCCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000676560848 487872738 /nfs/dbraw/zinc/87/27/38/487872738.db2.gz WJSCLEFLZOJOCZ-RYUDHWBXSA-N 0 3 245.363 0.867 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2ccc3c(n2)CCC3)C1 ZINC000651938764 487873981 /nfs/dbraw/zinc/87/39/81/487873981.db2.gz JGGUKCDXRSAEDL-KLPPZKSPSA-N 0 3 245.326 0.924 20 0 BCADHN C[C@@H](CNC(=O)c1csc(CN)n1)N(C)C ZINC000085545129 487874326 /nfs/dbraw/zinc/87/43/26/487874326.db2.gz KWGUMVWOCRICCH-ZETCQYMHSA-N 0 3 242.348 0.282 20 0 BCADHN CO[C@H](C)CCC(=O)N1CCOC2(CNC2)C1 ZINC000663218057 487876889 /nfs/dbraw/zinc/87/68/89/487876889.db2.gz YCSRFWRIVJENFU-SNVBAGLBSA-N 0 3 242.319 0.002 20 0 BCADHN CO[C@@H](C)CCC(=O)N1CCOC2(CNC2)C1 ZINC000663218056 487877094 /nfs/dbraw/zinc/87/70/94/487877094.db2.gz YCSRFWRIVJENFU-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN CO[C@H]1CCN(C(=O)CNC(C)C)C1 ZINC000234781440 487877980 /nfs/dbraw/zinc/87/79/80/487877980.db2.gz MHHDOPKCNVSZKH-VIFPVBQESA-N 0 3 200.282 0.232 20 0 BCADHN CN(C)CCSc1nnc2[nH]cnn21 ZINC000920101943 642437142 /nfs/dbraw/zinc/43/71/42/642437142.db2.gz AONQYHIHXMUWEK-UHFFFAOYSA-N 0 3 212.282 0.106 20 0 BCADHN CCN1C[C@H](N[C@H]2CO[C@@H](C3CC3)C2)CC1=O ZINC000668217536 487879303 /nfs/dbraw/zinc/87/93/03/487879303.db2.gz JXSDCPPMLZROEF-IJLUTSLNSA-N 0 3 238.331 0.764 20 0 BCADHN Cc1nccnc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000666911056 487878992 /nfs/dbraw/zinc/87/89/92/487878992.db2.gz NPZJIJLWNFGEIC-JTQLQIEISA-N 0 3 234.303 0.467 20 0 BCADHN CSc1cc(CNCCC(N)=O)ccn1 ZINC000569595722 322971980 /nfs/dbraw/zinc/97/19/80/322971980.db2.gz SXUOGNRFSOXHQY-UHFFFAOYSA-N 0 3 225.317 0.769 20 0 BCADHN C[C@H](CO)CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000682030856 487883591 /nfs/dbraw/zinc/88/35/91/487883591.db2.gz DMWFOHOPHFMGFC-NWDGAFQWSA-N 0 3 244.379 0.392 20 0 BCADHN CCOCCN1CCN(CCO)C(C)(C)C1 ZINC000682035467 487885990 /nfs/dbraw/zinc/88/59/90/487885990.db2.gz YUTXCZQIHRFMBG-UHFFFAOYSA-N 0 3 230.352 0.411 20 0 BCADHN CC1(C)C[C@@H](N2CCN3CCOC[C@@H]3C2)CO1 ZINC000660273443 487888153 /nfs/dbraw/zinc/88/81/53/487888153.db2.gz HIBNGRJNJUMXBP-NEPJUHHUSA-N 0 3 240.347 0.570 20 0 BCADHN COCCO[C@@H]1CCN([C@@H]2CCCOC2)C1 ZINC000682039044 487888559 /nfs/dbraw/zinc/88/85/59/487888559.db2.gz WATZZTGPKCAMRJ-VXGBXAGGSA-N 0 3 229.320 0.903 20 0 BCADHN CO[C@H]1CN(C)[C@](C)(COC(C)=O)C1 ZINC000861343158 645690154 /nfs/dbraw/zinc/69/01/54/645690154.db2.gz ZFICJJHSOJGFIH-ZJUUUORDSA-N 0 3 201.266 0.659 20 0 BCADHN CC(C)(CO)N1CCN(Cc2ccncc2)CC1 ZINC000676702221 487892604 /nfs/dbraw/zinc/89/26/04/487892604.db2.gz SPCOEHBEXHXAJN-UHFFFAOYSA-N 0 3 249.358 0.970 20 0 BCADHN CC[C@@H](C(=O)N(C[C@H](C)O)C1CC1)N(C)C ZINC000655376223 487893571 /nfs/dbraw/zinc/89/35/71/487893571.db2.gz NHKCRZAQTWZNCW-ONGXEEELSA-N 0 3 228.336 0.698 20 0 BCADHN COC[C@@H](NC(=O)C[C@@H]1CNCCO1)C(C)C ZINC000091312892 487896435 /nfs/dbraw/zinc/89/64/35/487896435.db2.gz GAOQIEZPQNPUFL-GHMZBOCLSA-N 0 3 244.335 0.152 20 0 BCADHN O[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@@H]1O ZINC000682075692 487899206 /nfs/dbraw/zinc/89/92/06/487899206.db2.gz ZCUIMJWBSCJYRL-UPJWGTAASA-N 0 3 219.284 0.711 20 0 BCADHN CCCn1nccc1CNC[C@](C)(O)CO ZINC000164851327 487902288 /nfs/dbraw/zinc/90/22/88/487902288.db2.gz OAICEIXBXPWNFB-NSHDSACASA-N 0 3 227.308 0.126 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NCCN1CCCC1=O ZINC000652294440 487903451 /nfs/dbraw/zinc/90/34/51/487903451.db2.gz DPZVHTGCCVQJJL-SECBINFHSA-N 0 3 236.319 0.991 20 0 BCADHN CCCn1nccc1CN[C@H](C)CC(N)=O ZINC000164871824 487905125 /nfs/dbraw/zinc/90/51/25/487905125.db2.gz NUVGOXDSRAAJLW-SECBINFHSA-N 0 3 224.308 0.647 20 0 BCADHN CCCN1CC[C@H](NC(=O)NCC[C@@H](C)O)C1 ZINC000666923024 487905633 /nfs/dbraw/zinc/90/56/33/487905633.db2.gz CCCCONFKGGHFHC-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N(C)CCO)C1 ZINC000666925448 487905680 /nfs/dbraw/zinc/90/56/80/487905680.db2.gz YNHIEEDGEXWLMC-SNVBAGLBSA-N 0 3 229.324 0.104 20 0 BCADHN CCC(O)(CC)CN(C)[C@H]1CCCNC1=O ZINC000682092843 487908850 /nfs/dbraw/zinc/90/88/50/487908850.db2.gz GCTHYECSZINAKP-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2CNCCO2)CCS1 ZINC000133030768 487908264 /nfs/dbraw/zinc/90/82/64/487908264.db2.gz UYIHKEUCFBABKT-WDEREUQCSA-N 0 3 230.377 0.802 20 0 BCADHN Cc1nccnc1[C@H](C)NCCc1nnnn1C ZINC000682134050 487912049 /nfs/dbraw/zinc/91/20/49/487912049.db2.gz SBVXFEGZRDSDNL-QMMMGPOBSA-N 0 3 247.306 0.202 20 0 BCADHN CCC[C@@H](O)CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000676741660 487912262 /nfs/dbraw/zinc/91/22/62/487912262.db2.gz HEHSTTVQSDORPR-CMPLNLGQSA-N 0 3 240.347 0.890 20 0 BCADHN Cn1cc(CCNC(=O)[C@H]2NCC2(C)C)cn1 ZINC000645564793 487913188 /nfs/dbraw/zinc/91/31/88/487913188.db2.gz KABDMCRQNKYGIL-SNVBAGLBSA-N 0 3 236.319 0.077 20 0 BCADHN Cc1nc(CN(C)C(=O)C2(N)CCCC2)no1 ZINC000125521790 487913423 /nfs/dbraw/zinc/91/34/23/487913423.db2.gz DOTORXILSRPPSW-UHFFFAOYSA-N 0 3 238.291 0.608 20 0 BCADHN COC[C@H](C)CN(CC(N)=O)C1CCCC1 ZINC000682151708 487914825 /nfs/dbraw/zinc/91/48/25/487914825.db2.gz SZHHCZNSSCVVIC-SNVBAGLBSA-N 0 3 228.336 0.999 20 0 BCADHN CCC[C@@H](O)CC(=O)N[C@H]1CCCN(C)C1 ZINC000676750342 487916412 /nfs/dbraw/zinc/91/64/12/487916412.db2.gz VTXJWHWCTBPDCR-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN Cc1nccc(C(=O)NCC2(N(C)C)CCC2)n1 ZINC000682168572 487923171 /nfs/dbraw/zinc/92/31/71/487923171.db2.gz KXKAXHQCXRQRDL-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN CC(C)n1cncc1CNC[C@@H]1CCC(=O)N1 ZINC000090209418 487924663 /nfs/dbraw/zinc/92/46/63/487924663.db2.gz DWBQBJXBAUGYML-JTQLQIEISA-N 0 3 236.319 0.832 20 0 BCADHN O=C(C1CCC1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673512886 487924724 /nfs/dbraw/zinc/92/47/24/487924724.db2.gz GFMWKEXBIIBQEW-NEPJUHHUSA-N 0 3 238.331 0.454 20 0 BCADHN Cn1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)n1 ZINC000679351968 487925186 /nfs/dbraw/zinc/92/51/86/487925186.db2.gz GDWIEONUNJYEAJ-CMPLNLGQSA-N 0 3 248.330 0.586 20 0 BCADHN CCOC[C@H](O)CNCc1ccc(CO)cc1 ZINC000227473194 487930834 /nfs/dbraw/zinc/93/08/34/487930834.db2.gz XAVQIIMSFFXWEJ-CYBMUJFWSA-N 0 3 239.315 0.666 20 0 BCADHN CC[C@@H](C)CN(CCN(C)C)CC(=O)N(C)C ZINC000668558182 487930903 /nfs/dbraw/zinc/93/09/03/487930903.db2.gz YITLDKRGQKJDSA-GFCCVEGCSA-N 0 3 243.395 0.984 20 0 BCADHN OCc1ccc(CN[C@@H]2COC[C@H]2O)cc1 ZINC000227474159 487931331 /nfs/dbraw/zinc/93/13/31/487931331.db2.gz VQLUXEMJFGQQID-VXGBXAGGSA-N 0 3 223.272 0.028 20 0 BCADHN OCC(CO)NCc1ccc2[nH]ccc2c1 ZINC000229657631 487934333 /nfs/dbraw/zinc/93/43/33/487934333.db2.gz YMYKPFUZACUGSN-UHFFFAOYSA-N 0 3 220.272 0.611 20 0 BCADHN C[C@@H](N[C@H]1CCCNC(=O)C1)c1cn[nH]c1 ZINC000229671405 487935602 /nfs/dbraw/zinc/93/56/02/487935602.db2.gz TXZPGAKXHSCGOK-SCZZXKLOSA-N 0 3 222.292 0.729 20 0 BCADHN CC(C)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000668561975 487936998 /nfs/dbraw/zinc/93/69/98/487936998.db2.gz UJSMWBGYYCQSAA-BDAKNGLRSA-N 0 3 205.323 0.950 20 0 BCADHN CC[C@H](COC)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000668561525 487937243 /nfs/dbraw/zinc/93/72/43/487937243.db2.gz PJOSZVJNJVTRTL-GMTAPVOTSA-N 0 3 249.376 0.967 20 0 BCADHN NC(=O)N[C@H]1CCN(CC[C@@H]2CCCCO2)C1 ZINC000408196043 487938458 /nfs/dbraw/zinc/93/84/58/487938458.db2.gz ACOHINCXXVNRDI-QWRGUYRKSA-N 0 3 241.335 0.688 20 0 BCADHN Cc1nc(CNC(=O)C2(N)CC2)cs1 ZINC000083835427 487941005 /nfs/dbraw/zinc/94/10/05/487941005.db2.gz LRJYTCKYLNTVAT-UHFFFAOYSA-N 0 3 211.290 0.559 20 0 BCADHN CC1(C)CNCCN1C(=O)[C@@H]1CCOC1 ZINC000083842539 487941792 /nfs/dbraw/zinc/94/17/92/487941792.db2.gz YDWNRIMNEQHVJG-SECBINFHSA-N 0 3 212.293 0.233 20 0 BCADHN CCCn1nccc1CNCCc1nnc[nH]1 ZINC000160155511 487943319 /nfs/dbraw/zinc/94/33/19/487943319.db2.gz FLDCKWBRBAAMNJ-UHFFFAOYSA-N 0 3 234.307 0.744 20 0 BCADHN O=C1CCN(Cc2ccc(O)cc2)CCN1 ZINC000682404797 487948314 /nfs/dbraw/zinc/94/83/14/487948314.db2.gz LYJXXVOPEVMPOD-UHFFFAOYSA-N 0 3 220.272 0.714 20 0 BCADHN CCCN(C[C@@H](C)CO)[C@H]1CC(=O)N(C)C1=O ZINC000669942601 487949923 /nfs/dbraw/zinc/94/99/23/487949923.db2.gz QPBJBGRLTNKBTN-ZJUUUORDSA-N 0 3 242.319 0.084 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1CC12CCC2 ZINC000676998303 487952259 /nfs/dbraw/zinc/95/22/59/487952259.db2.gz QDUSXBIBSHGLTM-CMPLNLGQSA-N 0 3 240.347 0.605 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000682418180 487952715 /nfs/dbraw/zinc/95/27/15/487952715.db2.gz MUFCCBLLKLHCNW-AXFHLTTASA-N 0 3 243.351 0.803 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H](C)N1 ZINC000153564826 487952742 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323042141 /nfs/dbraw/zinc/04/21/41/323042141.db2.gz AARSYRFPHHZMMH-NEPJUHHUSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1(N)CCC1 ZINC000569841188 323042298 /nfs/dbraw/zinc/04/22/98/323042298.db2.gz NXDIKABTEGHIDE-RKDXNWHRSA-N 0 3 241.335 0.287 20 0 BCADHN COC[C@@H](O)CCN[C@@H](C)c1cncnc1C ZINC000569941929 323045508 /nfs/dbraw/zinc/04/55/08/323045508.db2.gz VHLUQWQYZKPNIO-ONGXEEELSA-N 0 3 239.319 0.833 20 0 BCADHN CN[C@@H](C)C(=O)NC(C)(C)CCC(=O)OC ZINC000569988771 323046754 /nfs/dbraw/zinc/04/67/54/323046754.db2.gz VZTPFECJESXYGN-QMMMGPOBSA-N 0 3 230.308 0.442 20 0 BCADHN CN(CC1CCCCC1)[C@@H]1CC(=O)NC1=O ZINC000570055345 323048501 /nfs/dbraw/zinc/04/85/01/323048501.db2.gz NLQYOAAMQZFWHP-SNVBAGLBSA-N 0 3 224.304 0.914 20 0 BCADHN OCC1(CN2CCOC[C@@H]2C2CCC2)COC1 ZINC000570160314 323051313 /nfs/dbraw/zinc/05/13/13/323051313.db2.gz ZMOFESRFGQVSCU-GFCCVEGCSA-N 0 3 241.331 0.496 20 0 BCADHN CC[C@H](C)C[C@H](NC(=O)[C@@H](N)CC)C(=O)OC ZINC000570215883 323053493 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KFJHEMZUSSZAIA-IVZWLZJFSA-N 0 3 205.273 0.864 20 0 BCADHN NC1(C(=O)N2CCC[C@@H]3COCC[C@@H]32)CC1 ZINC000562972296 323077592 /nfs/dbraw/zinc/07/75/92/323077592.db2.gz WHTXNKNXTKDMBD-ZJUUUORDSA-N 0 3 224.304 0.505 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN[C@H]1CCC[C@H]1F ZINC000562998848 323078908 /nfs/dbraw/zinc/07/89/08/323078908.db2.gz RNSHKTIAEUKFIN-YFKTTZPYSA-N 0 3 249.326 0.879 20 0 BCADHN C[C@@H](C(=O)NC[C@@H]1CCCN1C)N1CC(C)C1 ZINC000518792855 323085466 /nfs/dbraw/zinc/08/54/66/323085466.db2.gz VGLHKQMMVBUDMC-RYUDHWBXSA-N 0 3 239.363 0.537 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1CC12CCOCC2 ZINC000531251912 323086536 /nfs/dbraw/zinc/08/65/36/323086536.db2.gz OAHDPOAXSBWUSD-NSHDSACASA-N 0 3 240.347 0.823 20 0 BCADHN CCN(C)S(=O)(=O)NCCN1CC[C@@H](C)C1 ZINC000531282919 323086991 /nfs/dbraw/zinc/08/69/91/323086991.db2.gz DZUGIZJWQFFCSS-SNVBAGLBSA-N 0 3 249.380 0.114 20 0 BCADHN CCNC(=O)[C@@H](C)NC(=O)[C@@H](N)[C@H](C)CC ZINC000040487153 323089914 /nfs/dbraw/zinc/08/99/14/323089914.db2.gz WHDCGQGJOBMEFY-HLTSFMKQSA-N 0 3 229.324 0.001 20 0 BCADHN O[C@H]1CCN(CCOC[C@@H]2CCCO2)C1 ZINC000151996637 323091260 /nfs/dbraw/zinc/09/12/60/323091260.db2.gz RVLWXVQCEWAASW-QWRGUYRKSA-N 0 3 215.293 0.249 20 0 BCADHN CC(C)([NH3+])C(=O)NCc1ncccc1[O-] ZINC000563094709 323091962 /nfs/dbraw/zinc/09/19/62/323091962.db2.gz RVFHDHPWPYHJOY-UHFFFAOYSA-N 0 3 209.249 0.141 20 0 BCADHN Cc1ccc2c(n1)[n-]cc(C(=O)NCC[NH3+])c2=O ZINC000563096617 323092180 /nfs/dbraw/zinc/09/21/80/323092180.db2.gz SIPYXESELCDYTM-UHFFFAOYSA-N 0 3 246.270 0.332 20 0 BCADHN CC(C)NC(=O)NCCSCCN(C)C ZINC000563113745 323093203 /nfs/dbraw/zinc/09/32/03/323093203.db2.gz URODDNZBTZYTCH-UHFFFAOYSA-N 0 3 233.381 0.989 20 0 BCADHN COC[C@H](O)CN[C@@H]1c2ccccc2C[C@@H]1O ZINC000567875396 323094768 /nfs/dbraw/zinc/09/47/68/323094768.db2.gz DDQBZOPAFNNXKQ-KGYLQXTDSA-N 0 3 237.299 0.242 20 0 BCADHN C[C@H](CN[C@H]1CCCC[C@@H]1O)S(C)(=O)=O ZINC000563144028 323095396 /nfs/dbraw/zinc/09/53/96/323095396.db2.gz VJCUGUNRRCFLIV-UTLUCORTSA-N 0 3 235.349 0.313 20 0 BCADHN CCc1cc(CNC(=O)[C@@H]2CCCCN2)on1 ZINC000563157067 323096211 /nfs/dbraw/zinc/09/62/11/323096211.db2.gz REZWIXFTCPMYJI-NSHDSACASA-N 0 3 237.303 0.995 20 0 BCADHN Cc1ccccc1-c1nc(CNC(=O)CN)no1 ZINC000563159542 323097188 /nfs/dbraw/zinc/09/71/88/323097188.db2.gz KMPJFDZJVLFLPP-UHFFFAOYSA-N 0 3 246.270 0.620 20 0 BCADHN CCOC(=O)[C@H]1CCCN1C(=O)[C@H](N)CC ZINC000563161220 323097635 /nfs/dbraw/zinc/09/76/35/323097635.db2.gz UTTHZQNUPJXTKC-RKDXNWHRSA-N 0 3 228.292 0.278 20 0 BCADHN C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccncc1[O-] ZINC000570959347 323101544 /nfs/dbraw/zinc/10/15/44/323101544.db2.gz CFLJEFLCJNUDTO-RNFRBKRXSA-N 0 3 209.249 0.131 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)Cn1ccnc1 ZINC000570988157 323103062 /nfs/dbraw/zinc/10/30/62/323103062.db2.gz QUHNADOSWQTZEG-UHFFFAOYSA-N 0 3 236.319 0.436 20 0 BCADHN CN(C)[C@H]1CN(C(=O)C2(CCF)CC2)C[C@@H]1O ZINC000565431130 323106756 /nfs/dbraw/zinc/10/67/56/323106756.db2.gz GUZPZLPURCYSDU-UWVGGRQHSA-N 0 3 244.310 0.260 20 0 BCADHN 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323130726 /nfs/dbraw/zinc/13/07/26/323130726.db2.gz CKLNOSWJDMMFQS-UHFFFAOYSA-N 0 3 226.280 0.267 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN1CCC1(C)C ZINC000567450983 323132862 /nfs/dbraw/zinc/13/28/62/323132862.db2.gz ACQFWFJYULYHPG-WDEREUQCSA-N 0 3 231.336 0.883 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN1CCC1(C)C ZINC000567450982 323132965 /nfs/dbraw/zinc/13/29/65/323132965.db2.gz ACQFWFJYULYHPG-QWRGUYRKSA-N 0 3 231.336 0.883 20 0 BCADHN Cc1ncc(CN[C@H](C)Cn2cncn2)n1C ZINC000571179548 323137605 /nfs/dbraw/zinc/13/76/05/323137605.db2.gz RRIFHNUEBYXDJJ-SECBINFHSA-N 0 3 234.307 0.498 20 0 BCADHN CCCCN(C)CCNC(=O)C(C)(C)CO ZINC000571223974 323138656 /nfs/dbraw/zinc/13/86/56/323138656.db2.gz NGYAKOHKNNUFQP-UHFFFAOYSA-N 0 3 230.352 0.853 20 0 BCADHN CN(C)CC1(NC(=O)[C@H]2CCC(=O)C2)CCC1 ZINC000571285778 323140299 /nfs/dbraw/zinc/14/02/99/323140299.db2.gz JAKBEHWSZNJDDL-JTQLQIEISA-N 0 3 238.331 0.956 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H](C)Cn1cccn1 ZINC000571344430 323142120 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COC(C)(C)CN(C)CCN1CCOCC1 ZINC000532340810 323252797 /nfs/dbraw/zinc/25/27/97/323252797.db2.gz ZTTRSVJYVWJERH-UHFFFAOYSA-N 0 3 230.352 0.675 20 0 BCADHN CCCN(C)CC(=O)NC1(COC)CC1 ZINC000532526584 323274964 /nfs/dbraw/zinc/27/49/64/323274964.db2.gz MDZDGOJDPKIMKA-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@@H](N2CCCC2)C1 ZINC000532544876 323276399 /nfs/dbraw/zinc/27/63/99/323276399.db2.gz IQCFGPRXGQXYSI-NEPJUHHUSA-N 0 3 237.347 0.435 20 0 BCADHN COC[C@H]1CCCCN1C[C@@](C)(O)C(=O)OC ZINC000395992018 323281077 /nfs/dbraw/zinc/28/10/77/323281077.db2.gz CVQSVDIWHFTLIJ-ZYHUDNBSSA-N 0 3 245.319 0.411 20 0 BCADHN CC(C)N(CC(=O)NC(N)=O)CC1CC1 ZINC000532667600 323288896 /nfs/dbraw/zinc/28/88/96/323288896.db2.gz UZELQFPMVXNNHQ-UHFFFAOYSA-N 0 3 213.281 0.302 20 0 BCADHN Cc1nnccc1C(=O)N(C)CCN1CCCC1 ZINC000532798340 323299412 /nfs/dbraw/zinc/29/94/12/323299412.db2.gz CWZXAYKWNRBJIV-UHFFFAOYSA-N 0 3 248.330 0.953 20 0 BCADHN COCCN(C)CCNC(=O)N1[C@H](C)C[C@H]1C ZINC000526867434 323304384 /nfs/dbraw/zinc/30/43/84/323304384.db2.gz MLDPXFNKKMSHKN-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN CO[C@@H](C(=O)NC[C@H]1CCCN(C)C1)C1CC1 ZINC000526875084 323304992 /nfs/dbraw/zinc/30/49/92/323304992.db2.gz GHRMDZHDNJKATD-ZYHUDNBSSA-N 0 3 240.347 0.869 20 0 BCADHN CCN(C)C(=O)[C@H](C)NCC1(O)CCC1 ZINC000571671838 323313713 /nfs/dbraw/zinc/31/37/13/323313713.db2.gz PUKAAUKKTNKCTD-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H](N[C@@H]1CN(C)C[C@@H]1C)C(=O)N(C)C ZINC000309082058 323314687 /nfs/dbraw/zinc/31/46/87/323314687.db2.gz RDDKQEOPPVHCFX-IVZWLZJFSA-N 0 3 213.325 0.003 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)CC(F)(F)CN)CCN1C ZINC000563968689 323335526 /nfs/dbraw/zinc/33/55/26/323335526.db2.gz NLUBNVULLMMQND-RKDXNWHRSA-N 0 3 249.305 0.569 20 0 BCADHN CC(C)COCCN1CC[C@@H](CO)[C@H](O)C1 ZINC000571679490 323343438 /nfs/dbraw/zinc/34/34/38/323343438.db2.gz QNSLEJYZXOORKW-NWDGAFQWSA-N 0 3 231.336 0.334 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)NCc2ccc(=O)[nH]c2)C1 ZINC000392736672 323385132 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/nfs/dbraw/zinc/12/71/60/326127160.db2.gz CGXTUBZZBHSBJQ-YNEJBJPTSA-N 0 3 244.360 0.106 20 0 BCADHN O=C1C[C@H]2CC[C@@H](C1)N2CC1(CO)COC1 ZINC000567202258 326134267 /nfs/dbraw/zinc/13/42/67/326134267.db2.gz GMICRPHWXYNTRW-AOOOYVTPSA-N 0 3 225.288 0.191 20 0 BCADHN CCCC[C@H](N)C(=O)N(C)c1cnn(C)c1 ZINC000154586987 326151956 /nfs/dbraw/zinc/15/19/56/326151956.db2.gz HHFPWFSXZCFOFQ-JTQLQIEISA-N 0 3 224.308 0.900 20 0 BCADHN C[C@H](CNC(=O)CNC1CC1)Cn1ccnc1 ZINC000154632882 326154547 /nfs/dbraw/zinc/15/45/47/326154547.db2.gz MOVUJOQEZMAUSL-SNVBAGLBSA-N 0 3 236.319 0.387 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1COc2cc(F)ccc2C1 ZINC000567292102 326156844 /nfs/dbraw/zinc/15/68/44/326156844.db2.gz FNJFUTFULSNIQS-XCBNKYQSSA-N 0 3 238.262 0.593 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1COc2cc(F)ccc2C1 ZINC000567292100 326156908 /nfs/dbraw/zinc/15/69/08/326156908.db2.gz FNJFUTFULSNIQS-GMSGAONNSA-N 0 3 238.262 0.593 20 0 BCADHN OCC1(CN2CCN(C3CCC3)CC2)COC1 ZINC000309983879 326177849 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/nfs/dbraw/zinc/26/40/41/326264041.db2.gz ISYSZENQYYHGBX-UHFFFAOYSA-N 0 3 245.286 0.659 20 0 BCADHN C/C=C\C[C@H](CO)NC[C@H](O)C(F)(F)F ZINC000567876095 326273320 /nfs/dbraw/zinc/27/33/20/326273320.db2.gz OPHDGWLMDFXJPZ-ZCMHJKFASA-N 0 3 227.226 0.826 20 0 BCADHN CSCC[C@H](N)C(=O)N(C)CCSC ZINC000157412725 326273776 /nfs/dbraw/zinc/27/37/76/326273776.db2.gz FAYNAUFVDDFRLV-QMMMGPOBSA-N 0 3 236.406 0.888 20 0 BCADHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)CN)C1 ZINC000157455439 326276212 /nfs/dbraw/zinc/27/62/12/326276212.db2.gz DWIRSNJUDPDOKS-NXEZZACHSA-N 0 3 241.335 0.145 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N(C)CCSC ZINC000567979987 326290512 /nfs/dbraw/zinc/29/05/12/326290512.db2.gz IGQZYBWXTYSKGA-MRVPVSSYSA-N 0 3 248.348 0.088 20 0 BCADHN COCCNCCNC(=O)C[C@H](C)SC ZINC000567983011 326290825 /nfs/dbraw/zinc/29/08/25/326290825.db2.gz GCTXCZVGXLMVGN-VIFPVBQESA-N 0 3 234.365 0.480 20 0 BCADHN CNC(=O)NC(=O)CN[C@H]1CCC1(C)C ZINC000568180715 326321608 /nfs/dbraw/zinc/32/16/08/326321608.db2.gz AHFRRSCELJVHTJ-ZETCQYMHSA-N 0 3 213.281 0.220 20 0 BCADHN O=C1C[C@H](N2CC[C@H](CC3CC3)C2)C(=O)N1 ZINC000568163210 326317031 /nfs/dbraw/zinc/31/70/31/326317031.db2.gz RFFHGHSIZAITHM-ZJUUUORDSA-N 0 3 222.288 0.524 20 0 BCADHN CO[C@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC000568191812 326324070 /nfs/dbraw/zinc/32/40/70/326324070.db2.gz TXBFSGXOVGPQJS-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN CO[C@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC000568191809 326324077 /nfs/dbraw/zinc/32/40/77/326324077.db2.gz TXBFSGXOVGPQJS-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@@H]1C[C@@H](NC(=O)[C@H](C)NC)CCO1 ZINC000568230976 326328844 /nfs/dbraw/zinc/32/88/44/326328844.db2.gz IYYPJPUHLBHIHK-LPEHRKFASA-N 0 3 214.309 0.668 20 0 BCADHN CN[C@@H](C)C(=O)N(C)CCc1nccs1 ZINC000568230895 326330182 /nfs/dbraw/zinc/33/01/82/326330182.db2.gz HJZWFTXAGRZKNU-QMMMGPOBSA-N 0 3 227.333 0.752 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000568236872 326331849 /nfs/dbraw/zinc/33/18/49/326331849.db2.gz 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226.251 0.670 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000568654395 326371269 /nfs/dbraw/zinc/37/12/69/326371269.db2.gz PQGMNMOAYJKPPG-QPUJVOFHSA-N 0 3 233.315 0.980 20 0 BCADHN C[C@@H](NCc1cccc(CO)n1)[C@H](C)O ZINC000568983619 326384692 /nfs/dbraw/zinc/38/46/92/326384692.db2.gz LSZZCDCSGLICHK-BDAKNGLRSA-N 0 3 210.277 0.433 20 0 BCADHN CCOC(=O)C[C@H](C)CNC(=O)C(C)(C)N ZINC000569113313 326390942 /nfs/dbraw/zinc/39/09/42/326390942.db2.gz HAYJTUVGCHJRPG-QMMMGPOBSA-N 0 3 230.308 0.429 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)c1cnn(C)c1 ZINC000569239021 326397049 /nfs/dbraw/zinc/39/70/49/326397049.db2.gz TVMAGDWOPUBNQK-QMMMGPOBSA-N 0 3 222.292 0.523 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)c1cnn(C)c1 ZINC000569239013 326397133 /nfs/dbraw/zinc/39/71/33/326397133.db2.gz TVMAGDWOPUBNQK-MRVPVSSYSA-N 0 3 222.292 0.523 20 0 BCADHN Cc1cc(F)ccc1CN(CCO)CCO ZINC000164187022 326410970 /nfs/dbraw/zinc/41/09/70/326410970.db2.gz YUKSWRLYSNCWCG-UHFFFAOYSA-N 0 3 227.279 0.921 20 0 BCADHN COC[C@@H](O)CNCc1cc(C)nc(C)c1 ZINC000573199400 326434426 /nfs/dbraw/zinc/43/44/26/326434426.db2.gz WFIYQFXTEBMAEO-LBPRGKRZSA-N 0 3 224.304 0.795 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000653204807 487974558 /nfs/dbraw/zinc/97/45/58/487974558.db2.gz GSOXPJAYJNFSAJ-WPRPVWTQSA-N 0 3 219.288 0.487 20 0 BCADHN NC(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C(F)(F)F ZINC000653203854 487974715 /nfs/dbraw/zinc/97/47/15/487974715.db2.gz ARPIYRJAVSMJIT-MVIOUDGNSA-N 0 3 238.209 0.312 20 0 BCADHN NC1(C(=O)N[C@H]2CNc3ccccc3C2)CC1 ZINC000653204648 487974997 /nfs/dbraw/zinc/97/49/97/487974997.db2.gz AWKWEWXFMCPUCH-SNVBAGLBSA-N 0 3 231.299 0.631 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CNc2ccccc2C1 ZINC000653204806 487975043 /nfs/dbraw/zinc/97/50/43/487975043.db2.gz GSOXPJAYJNFSAJ-WCBMZHEXSA-N 0 3 219.288 0.487 20 0 BCADHN CCN1CCC[C@@H]1CNCc1ncnn1C ZINC000083970434 487976602 /nfs/dbraw/zinc/97/66/02/487976602.db2.gz WNWJVEIBHHIYPS-SNVBAGLBSA-N 0 3 223.324 0.389 20 0 BCADHN C[C@H](NCCC(N)=O)c1cncc(F)c1 ZINC000235523126 487976786 /nfs/dbraw/zinc/97/67/86/487976786.db2.gz GCOXSAFWDPIYMK-ZETCQYMHSA-N 0 3 211.240 0.747 20 0 BCADHN CCn1ncnc1CNCC(C)(C)N(C)C ZINC000083977912 487978810 /nfs/dbraw/zinc/97/88/10/487978810.db2.gz POWSRLMWNUQTHD-UHFFFAOYSA-N 0 3 225.340 0.728 20 0 BCADHN CN(CCOCC(F)F)C[C@@H](O)C1CC1 ZINC000682537145 487981294 /nfs/dbraw/zinc/98/12/94/487981294.db2.gz VADPJYYEIMCYPI-SECBINFHSA-N 0 3 223.263 0.971 20 0 BCADHN CCO[C@H]1C[C@@H](N[C@@H]2COC[C@@H]2O)C1(C)C ZINC000134394484 487981699 /nfs/dbraw/zinc/98/16/99/487981699.db2.gz GSDVXXGGMQWBBM-YTWAJWBKSA-N 0 3 229.320 0.539 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H]2COC[C@@H]2O)C1(C)C ZINC000134394464 487982149 /nfs/dbraw/zinc/98/21/49/487982149.db2.gz GSDVXXGGMQWBBM-LMLFDSFASA-N 0 3 229.320 0.539 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)CCCCO ZINC000225944583 487984317 /nfs/dbraw/zinc/98/43/17/487984317.db2.gz QLAKBORVOFOQOL-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN O[C@]12C[C@H]1CN(CC1=CCCOC1)CC2 ZINC000668598694 487986878 /nfs/dbraw/zinc/98/68/78/487986878.db2.gz MMRMHPSAPPCLQS-NWDGAFQWSA-N 0 3 209.289 0.790 20 0 BCADHN C[C@@H](O)CN(CC(N)=O)C1CCCC1 ZINC000684999891 487987927 /nfs/dbraw/zinc/98/79/27/487987927.db2.gz ADNONTOLMCVJFG-MRVPVSSYSA-N 0 3 200.282 0.097 20 0 BCADHN COCC(=O)N1CCNC2(CCCCC2)C1 ZINC000400745985 487988226 /nfs/dbraw/zinc/98/82/26/487988226.db2.gz FKKQSVOETYLZNZ-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN CN(C(=O)c1ncc[nH]1)[C@@H]1CCN(C2CC2)C1 ZINC000668599376 487988382 /nfs/dbraw/zinc/98/83/82/487988382.db2.gz VZUNKFZIONGEIL-SNVBAGLBSA-N 0 3 234.303 0.718 20 0 BCADHN Cc1cscc1C(=O)N[C@@H](CO)CN(C)C ZINC000673522793 487992823 /nfs/dbraw/zinc/99/28/23/487992823.db2.gz RHOVVIVLHPYCQS-SECBINFHSA-N 0 3 242.344 0.709 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)c1ccccc1 ZINC000673522736 487992854 /nfs/dbraw/zinc/99/28/54/487992854.db2.gz NHHYLIKJNXRUDU-LLVKDONJSA-N 0 3 222.288 0.339 20 0 BCADHN CC[C@@H](C(=O)N1CCN(CC)[C@@H](C)C1)N(C)C ZINC000677182364 487993088 /nfs/dbraw/zinc/99/30/88/487993088.db2.gz 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20 0 BCADHN CCN1CCN(CCn2ccccc2=O)C[C@H]1C ZINC000677193773 487998623 /nfs/dbraw/zinc/99/86/23/487998623.db2.gz COQNPIXWUFKTNB-CYBMUJFWSA-N 0 3 249.358 0.874 20 0 BCADHN CCN1CCN(Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC000677195853 487999770 /nfs/dbraw/zinc/99/97/70/487999770.db2.gz WWCLBXVJJZEYSL-GFCCVEGCSA-N 0 3 249.358 0.911 20 0 BCADHN Cc1cnn(CCN2CCC(O)(CO)CC2)c1 ZINC000313626064 488000053 /nfs/dbraw/zinc/00/00/53/488000053.db2.gz KXUMHVXLPJXJLT-UHFFFAOYSA-N 0 3 239.319 0.011 20 0 BCADHN OCCC1CCN(C[C@H]2CNCCO2)CC1 ZINC000401026628 488000754 /nfs/dbraw/zinc/00/07/54/488000754.db2.gz NVPCPOXDZJJZTM-GFCCVEGCSA-N 0 3 228.336 0.069 20 0 BCADHN CC[C@@H](N)c1cn([C@@H](C)C(=O)NC(C)C)nn1 ZINC000229946692 488005597 /nfs/dbraw/zinc/00/55/97/488005597.db2.gz FCCUSWYTMPLECM-DTWKUNHWSA-N 0 3 239.323 0.774 20 0 BCADHN CC[C@@H](N)c1cn(CCN2CCOCC2)nn1 ZINC000229946602 488005794 /nfs/dbraw/zinc/00/57/94/488005794.db2.gz OAOKOUAKWMXMQY-SNVBAGLBSA-N 0 3 239.323 0.020 20 0 BCADHN 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/nfs/dbraw/zinc/02/80/04/488028004.db2.gz RJNNRHNURWMSBV-RNFRBKRXSA-N 0 3 211.269 0.124 20 0 BCADHN CCC[C@@H](N)c1cn(CC(=O)N(C)C)nn1 ZINC000229971680 488029889 /nfs/dbraw/zinc/02/98/89/488029889.db2.gz SIHSWRLCSBTZHQ-MRVPVSSYSA-N 0 3 225.296 0.166 20 0 BCADHN CC[C@@H](NC(=O)[C@H](C)N)[C@H]1CCCCO1 ZINC000655525361 488030791 /nfs/dbraw/zinc/03/07/91/488030791.db2.gz OHBHEBBJESMTGK-IVZWLZJFSA-N 0 3 214.309 0.798 20 0 BCADHN CSC[C@@H](O)CN1CCN(C2CCC2)CC1 ZINC000493030997 533717727 /nfs/dbraw/zinc/71/77/27/533717727.db2.gz HTFCMFFOGOBDSB-LBPRGKRZSA-N 0 3 244.404 0.880 20 0 BCADHN C[C@H](O)CCCN1CCN(C(C)(C)CO)CC1 ZINC000682766304 488034006 /nfs/dbraw/zinc/03/40/06/488034006.db2.gz UQXIRQAQFQQNEJ-LBPRGKRZSA-N 0 3 244.379 0.536 20 0 BCADHN CC[C@H](N[C@@H](C)[C@@H](OC)C1CC1)C(N)=O ZINC000388238425 488036013 /nfs/dbraw/zinc/03/60/13/488036013.db2.gz POOIFIARRQXEQE-UJNFCWOMSA-N 0 3 214.309 0.653 20 0 BCADHN CC[C@H](N[C@@H](C)[C@H](OC)C1CC1)C(N)=O ZINC000388238414 488036138 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BCADHN CN1CC[C@H](CNC(=O)c2cnco2)C1 ZINC000677521118 488064079 /nfs/dbraw/zinc/06/40/79/488064079.db2.gz BHKRRDJIWCLYOY-MRVPVSSYSA-N 0 3 209.249 0.356 20 0 BCADHN CNCC(=O)Nc1ccccc1OCCOC ZINC000153234531 488065755 /nfs/dbraw/zinc/06/57/55/488065755.db2.gz VGNRFBXILDJFBM-UHFFFAOYSA-N 0 3 238.287 0.870 20 0 BCADHN CN(C)CCn1ccc(NC(=O)c2cnco2)n1 ZINC000677527059 488065983 /nfs/dbraw/zinc/06/59/83/488065983.db2.gz OTIZVDVIWWFDNN-UHFFFAOYSA-N 0 3 249.274 0.685 20 0 BCADHN COC[C@@H](C)N1CCC[C@](CO)(OC)C1 ZINC000401768352 488066811 /nfs/dbraw/zinc/06/68/11/488066811.db2.gz HVSVUGHCCNUTRO-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN NC[C@@H](NC(=O)Cc1cccnc1)C(F)(F)F ZINC000401809378 488069517 /nfs/dbraw/zinc/06/95/17/488069517.db2.gz SIFGPFSQVKQWLQ-MRVPVSSYSA-N 0 3 247.220 0.630 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C(=O)CNC(C)C ZINC000037823530 488071500 /nfs/dbraw/zinc/07/15/00/488071500.db2.gz YRQPALHHUQEITH-VIFPVBQESA-N 0 3 230.308 0.252 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000389040308 488072692 /nfs/dbraw/zinc/07/26/92/488072692.db2.gz QMXAQKKPXMMZPR-UTLUCORTSA-N 0 3 214.309 0.526 20 0 BCADHN CC[C@H](C(N)=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000451082975 488072393 /nfs/dbraw/zinc/07/23/93/488072393.db2.gz OYRCQNFSRTWJDD-CMPLNLGQSA-N 0 3 239.363 0.666 20 0 BCADHN CC[C@@]1(NC(=O)C(C)S(C)(=O)=O)CCOC1 ZINC000682972611 488074401 /nfs/dbraw/zinc/07/44/01/488074401.db2.gz SNUNHJNJBNVEPO-PSASIEDQSA-N 0 3 249.332 0.105 20 0 BCADHN CC[C@]1(NC(=O)C(C)S(C)(=O)=O)CCOC1 ZINC000682972613 488074449 /nfs/dbraw/zinc/07/44/49/488074449.db2.gz SNUNHJNJBNVEPO-SCZZXKLOSA-N 0 3 249.332 0.105 20 0 BCADHN c1cn(C[C@H]2CCN(Cc3cnc[nH]3)C2)nn1 ZINC000661141666 488075002 /nfs/dbraw/zinc/07/50/02/488075002.db2.gz SNPKPHCCROIDCY-JTQLQIEISA-N 0 3 232.291 0.523 20 0 BCADHN CO[C@H]1CN(C(=O)CNC(C)C)CC[C@@H]1C ZINC000230244950 488077581 /nfs/dbraw/zinc/07/75/81/488077581.db2.gz OPPSSWBRZUFVNO-QWRGUYRKSA-N 0 3 228.336 0.868 20 0 BCADHN CO[C@@H]1CCCN(C(=O)CNC(C)C)C1 ZINC000230247205 488078351 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COCC1(N(C)CCn2ccccc2=O)CC1 ZINC000677726686 488103733 /nfs/dbraw/zinc/10/37/33/488103733.db2.gz OSDRXIXLRTZIJY-UHFFFAOYSA-N 0 3 236.315 0.959 20 0 BCADHN CCC[C@@H](N)c1cn(-c2cnn(C)c2)nn1 ZINC000229930404 488104190 /nfs/dbraw/zinc/10/41/90/488104190.db2.gz NXAQMKYZFFUDQD-SECBINFHSA-N 0 3 220.280 0.801 20 0 BCADHN CC[C@@]1(NCC(=O)Nc2ccon2)CCOC1 ZINC000683044334 488104318 /nfs/dbraw/zinc/10/43/18/488104318.db2.gz SVIYSFUNLGJXMC-LLVKDONJSA-N 0 3 239.275 0.772 20 0 BCADHN COCCOCCN(C)C1(COC)CC1 ZINC000677727510 488104567 /nfs/dbraw/zinc/10/45/67/488104567.db2.gz ASKCJYNSBZVXJR-UHFFFAOYSA-N 0 3 217.309 0.760 20 0 BCADHN COCC1(N(C)CCn2cccn2)CC1 ZINC000677728351 488105190 /nfs/dbraw/zinc/10/51/90/488105190.db2.gz VLPAZIJFVVGYBM-UHFFFAOYSA-N 0 3 209.293 0.994 20 0 BCADHN CCN(C[C@@H](COC)OC)[C@H]1CCOC1 ZINC000660595432 488105529 /nfs/dbraw/zinc/10/55/29/488105529.db2.gz DLCILPSNZBYEIX-QWRGUYRKSA-N 0 3 217.309 0.759 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000667759263 488109348 /nfs/dbraw/zinc/10/93/48/488109348.db2.gz FGTSZQNILWMFPK-QWRGUYRKSA-N 0 3 226.320 0.668 20 0 BCADHN O[C@H](Cn1cccn1)CN1CC[C@@H](C(F)F)C1 ZINC000677734720 488112471 /nfs/dbraw/zinc/11/24/71/488112471.db2.gz VMEDYPVIDVUKGF-ZJUUUORDSA-N 0 3 245.273 0.831 20 0 BCADHN CCCN1CC[C@H](NCc2cn(C)nn2)C1 ZINC000389824805 488114944 /nfs/dbraw/zinc/11/49/44/488114944.db2.gz OZPQABFEIRYCNP-JTQLQIEISA-N 0 3 223.324 0.389 20 0 BCADHN CN1CCC[C@H](N[C@H]2CCO[C@@H]2C2CC2)C1=O ZINC000683143506 488117659 /nfs/dbraw/zinc/11/76/59/488117659.db2.gz LKSPAOHDJIEAAZ-SDDRHHMPSA-N 0 3 238.331 0.764 20 0 BCADHN O=C1NCCCC[C@@H]1N[C@H]1CO[C@H](C2CC2)C1 ZINC000667778292 488118543 /nfs/dbraw/zinc/11/85/43/488118543.db2.gz ZKUUQSYZCWTJFH-WOPDTQHZSA-N 0 3 238.331 0.812 20 0 BCADHN CN1CCC[C@H](N[C@@H]2CCO[C@@H]2C2CC2)C1=O ZINC000683143505 488119299 /nfs/dbraw/zinc/11/92/99/488119299.db2.gz LKSPAOHDJIEAAZ-GRYCIOLGSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@H](CNC(=O)C(C)(C)O)N1CCC[C@@H](C)C1 ZINC000683178294 488123233 /nfs/dbraw/zinc/12/32/33/488123233.db2.gz CARIHLWNUKGVEQ-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H]1CCN(CCNC(=O)C(C)(C)O)C1 ZINC000683181162 488124269 /nfs/dbraw/zinc/12/42/69/488124269.db2.gz QZNSDWKLMHLHEM-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN CN(C)c1ccc(CN(C)CCCO)cn1 ZINC000677802079 488124527 /nfs/dbraw/zinc/12/45/27/488124527.db2.gz MEAZOQKGGAXDIW-UHFFFAOYSA-N 0 3 223.320 0.962 20 0 BCADHN C[C@H](O)C1(NCc2ccc(C(N)=O)cc2)CC1 ZINC000668696413 488126060 /nfs/dbraw/zinc/12/60/60/488126060.db2.gz PDNFOVAFIJOSRZ-VIFPVBQESA-N 0 3 234.299 0.789 20 0 BCADHN Cc1nn(C)cc1CNC1([C@@H](C)O)CC1 ZINC000668697608 488126438 /nfs/dbraw/zinc/12/64/38/488126438.db2.gz INXGNLYYAVFMHD-SECBINFHSA-N 0 3 209.293 0.732 20 0 BCADHN CCN(CC)CC(=O)N1COCC1(C)C ZINC000670388692 488130729 /nfs/dbraw/zinc/13/07/29/488130729.db2.gz MKZUQZDZVRMGDR-UHFFFAOYSA-N 0 3 214.309 0.923 20 0 BCADHN CN1C[C@H](N[C@@H]2CO[C@H](C3CC3)C2)CC1=O ZINC000667826183 488132276 /nfs/dbraw/zinc/13/22/76/488132276.db2.gz 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228.336 0.165 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000674292944 487551642 /nfs/dbraw/zinc/55/16/42/487551642.db2.gz XMHVDUONSYUIHV-GHMZBOCLSA-N 0 3 243.351 0.397 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000662500228 490081379 /nfs/dbraw/zinc/08/13/79/490081379.db2.gz NLHRGLSNMBLMCW-GUBZILKMSA-N 0 3 214.309 0.526 20 0 BCADHN CC[C@@H](O)CN1CCN([C@@H]2CCCOC2)CC1 ZINC000674302002 487552038 /nfs/dbraw/zinc/55/20/38/487552038.db2.gz IOWPZCSPHUXKIA-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)N[C@H]1CCCN(C)C1 ZINC000674292945 487551939 /nfs/dbraw/zinc/55/19/39/487551939.db2.gz XMHVDUONSYUIHV-WDEREUQCSA-N 0 3 243.351 0.397 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000662500230 490081559 /nfs/dbraw/zinc/08/15/59/490081559.db2.gz NLHRGLSNMBLMCW-LPEHRKFASA-N 0 3 214.309 0.526 20 0 BCADHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@H](O)C1CC1 ZINC000668797958 487556067 /nfs/dbraw/zinc/55/60/67/487556067.db2.gz HEZIOJHLOHVWMN-CMPLNLGQSA-N 0 3 240.347 0.558 20 0 BCADHN CC[C@H](N)C(=O)NCc1csc(N(C)C)n1 ZINC000169046673 487556181 /nfs/dbraw/zinc/55/61/81/487556181.db2.gz HWQGRICZVTYZCF-QMMMGPOBSA-N 0 3 242.348 0.563 20 0 BCADHN CC(C)NCC(=O)N(C)[C@H]1CCOC1 ZINC000134689135 487531349 /nfs/dbraw/zinc/53/13/49/487531349.db2.gz PAFPSNPMAKSHMB-VIFPVBQESA-N 0 3 200.282 0.232 20 0 BCADHN Cc1nc(C)c(CN2CC[C@@](C)(C(N)=O)C2)o1 ZINC000685580285 487556876 /nfs/dbraw/zinc/55/68/76/487556876.db2.gz GPCIWNGFYWGUDT-GFCCVEGCSA-N 0 3 237.303 0.989 20 0 BCADHN C[C@@H](CCO)N(C)C(=O)NCCN(C)C1CC1 ZINC000650868620 487471387 /nfs/dbraw/zinc/47/13/87/487471387.db2.gz KYUCGJXBNVKOBH-JTQLQIEISA-N 0 3 243.351 0.493 20 0 BCADHN CCOCCCN1CCN(C(C)(C)CO)CC1 ZINC000673895538 487472370 /nfs/dbraw/zinc/47/23/70/487472370.db2.gz HQAILVIWJUEEMI-UHFFFAOYSA-N 0 3 244.379 0.802 20 0 BCADHN COC[C@H](C)N1CCN(C(C)(C)CO)CC1 ZINC000673896772 487472570 /nfs/dbraw/zinc/47/25/70/487472570.db2.gz XQVNHCSXKKOVKW-NSHDSACASA-N 0 3 230.352 0.410 20 0 BCADHN c1ncn([C@@H]2CCN([C@@H]3CCCOC3)C2)n1 ZINC000681603642 487472732 /nfs/dbraw/zinc/47/27/32/487472732.db2.gz ABPFSSPDOQSOOA-GHMZBOCLSA-N 0 3 222.292 0.704 20 0 BCADHN c1ncn([C@H]2CCN([C@@H]3CCCOC3)C2)n1 ZINC000681603645 487472915 /nfs/dbraw/zinc/47/29/15/487472915.db2.gz ABPFSSPDOQSOOA-WDEREUQCSA-N 0 3 222.292 0.704 20 0 BCADHN C[C@@H](CNC(=O)C1(N)CCCC1)C[C@H](C)O ZINC000237548256 487482231 /nfs/dbraw/zinc/48/22/31/487482231.db2.gz AQDCWXUIFWSNOW-ZJUUUORDSA-N 0 3 228.336 0.781 20 0 BCADHN CN(CCC[C@H]1CCOC1)CC(=O)N(C)C ZINC000682673310 487483045 /nfs/dbraw/zinc/48/30/45/487483045.db2.gz OGUOJVNIGQZHSA-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN CN(CCC[C@@H]1CCOC1)CC(=O)N(C)C ZINC000682673309 487483279 /nfs/dbraw/zinc/48/32/79/487483279.db2.gz OGUOJVNIGQZHSA-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CCn1nc(C)cc1C(=O)N(C)CCN(C)C ZINC000673917477 487477661 /nfs/dbraw/zinc/47/76/61/487477661.db2.gz KQZJJCKLKSEVJJ-UHFFFAOYSA-N 0 3 238.335 0.845 20 0 BCADHN CC(C)CCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405246369 487478753 /nfs/dbraw/zinc/47/87/53/487478753.db2.gz ARBDLJYIRIFPEQ-NWDGAFQWSA-N 0 3 240.347 0.700 20 0 BCADHN CC(F)(F)CC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405270057 487479745 /nfs/dbraw/zinc/47/97/45/487479745.db2.gz ODGGCVZDRHRIHN-DTWKUNHWSA-N 0 3 248.273 0.309 20 0 BCADHN CC[C@@H](C(=O)N1CC(F)(F)C1)N(C)C ZINC000679918401 487486272 /nfs/dbraw/zinc/48/62/72/487486272.db2.gz SWKXQNMORRYBDR-ZETCQYMHSA-N 0 3 206.236 0.804 20 0 BCADHN COCCNCC(=O)NCc1ccc(C)o1 ZINC000086158230 487486891 /nfs/dbraw/zinc/48/68/91/487486891.db2.gz VJYJZSAHGIYEMX-UHFFFAOYSA-N 0 3 226.276 0.440 20 0 BCADHN Cc1cnccc1CNC(=O)COC1(C)CNC1 ZINC000161259440 487486956 /nfs/dbraw/zinc/48/69/56/487486956.db2.gz WNHMKUWQNRQNOC-UHFFFAOYSA-N 0 3 249.314 0.385 20 0 BCADHN CCc1c(C(=O)N(C)CCN(C)C)cnn1C ZINC000673944736 487488296 /nfs/dbraw/zinc/48/82/96/487488296.db2.gz ODHHVKPLAGLNRC-UHFFFAOYSA-N 0 3 238.335 0.616 20 0 BCADHN COCCCN(C)C(=O)CNC(C)C ZINC000062033640 487492742 /nfs/dbraw/zinc/49/27/42/487492742.db2.gz HWNPEILJGUZURE-UHFFFAOYSA-N 0 3 202.298 0.479 20 0 BCADHN O[C@@H]1CCC[C@@H](CN2CCOC[C@@H](O)C2)C1 ZINC000399887309 487496170 /nfs/dbraw/zinc/49/61/70/487496170.db2.gz BNUBPPLLCVPDMC-UTUOFQBUSA-N 0 3 229.320 0.231 20 0 BCADHN OCCN1CCC(c2nnc3n2CCC3)CC1 ZINC000674005716 487497156 /nfs/dbraw/zinc/49/71/56/487497156.db2.gz IDMDBNYUADMAHV-UHFFFAOYSA-N 0 3 236.319 0.396 20 0 BCADHN C[C@@H](O)CNC[C@@H]1COc2ccccc2O1 ZINC000666116991 487499366 /nfs/dbraw/zinc/49/93/66/487499366.db2.gz MGPHFMDRDWKQOB-NXEZZACHSA-N 0 3 223.272 0.797 20 0 BCADHN CCN1CCCN(C(=O)[C@H](C)NC(C)=O)CC1 ZINC000133475920 487500312 /nfs/dbraw/zinc/50/03/12/487500312.db2.gz NKNMLYWIFKVYPF-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN COc1cc(C)nc(N[C@@H](CO)CN(C)C)n1 ZINC000685261906 487506299 /nfs/dbraw/zinc/50/62/99/487506299.db2.gz BYJUDIQYGQQCRT-SECBINFHSA-N 0 3 240.307 0.128 20 0 BCADHN OCCN(CCO)CCOCc1ccccc1 ZINC000118656760 487501778 /nfs/dbraw/zinc/50/17/78/487501778.db2.gz RYEVQXKQKDIJAH-UHFFFAOYSA-N 0 3 239.315 0.490 20 0 BCADHN COC[C@@H](C)CN(C)CC(=O)N1CCCC1 ZINC000674047570 487504132 /nfs/dbraw/zinc/50/41/32/487504132.db2.gz MPBGTQGOIIWAHX-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN C[C@H](Cc1ccsc1)N1C[C@@H](O)[C@@H](O)C1 ZINC000679990677 487511046 /nfs/dbraw/zinc/51/10/46/487511046.db2.gz YBJACLLOQPYMRO-IEBDPFPHSA-N 0 3 227.329 0.717 20 0 BCADHN C[C@@H](O)[C@H]1CCN(Cc2ccc(N)nc2)C1 ZINC000161699961 487511556 /nfs/dbraw/zinc/51/15/56/487511556.db2.gz ZUXAKBUOJGHFQX-KOLCDFICSA-N 0 3 221.304 0.867 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NCc1cn(C)nn1 ZINC000679994580 487511856 /nfs/dbraw/zinc/51/18/56/487511856.db2.gz YJVKPWBZXZSYMR-CABZTGNLSA-N 0 3 235.335 0.387 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)[C@@H](O)C1CC1 ZINC000668235663 487512778 /nfs/dbraw/zinc/51/27/78/487512778.db2.gz QJRDDESOVUJZPC-LBPRGKRZSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000063115534 487514269 /nfs/dbraw/zinc/51/42/69/487514269.db2.gz PMXKLSYDLYQQFX-NGZCFLSTSA-N 0 3 208.305 0.995 20 0 BCADHN CC[C@@H](O)CNCC(C)(C)S(C)(=O)=O ZINC000086503169 487514633 /nfs/dbraw/zinc/51/46/33/487514633.db2.gz LWYBBWIDHDOPRP-MRVPVSSYSA-N 0 3 223.338 0.170 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000668237251 487519907 /nfs/dbraw/zinc/51/99/07/487519907.db2.gz JAXOKXUJCXNYHA-NNYUYHANSA-N 0 3 227.304 0.557 20 0 BCADHN CC1(C)C[C@@]1(C)NC(=O)CCOC1CNC1 ZINC000659379439 487519135 /nfs/dbraw/zinc/51/91/35/487519135.db2.gz HMMOPWXJKGQMFU-GFCCVEGCSA-N 0 3 226.320 0.670 20 0 BCADHN C[NH2+]C[C@H](C)NC(=O)c1cccc(OC)c1[O-] ZINC000310271205 487522278 /nfs/dbraw/zinc/52/22/78/487522278.db2.gz IMFQCAYOLLUZAM-QMMMGPOBSA-N 0 3 238.287 0.739 20 0 BCADHN O=C1CC[C@@H](CN[C@@H](CO)c2ccsc2)N1 ZINC000381802738 487522820 /nfs/dbraw/zinc/52/28/20/487522820.db2.gz DUDIRWMIUYCVBK-UWVGGRQHSA-N 0 3 240.328 0.650 20 0 BCADHN C[C@@]1(NC(=O)c2ccccc2[O-])CC[NH2+]C1 ZINC000230733579 488146075 /nfs/dbraw/zinc/14/60/75/488146075.db2.gz LJDFQVVEPQKIMW-GFCCVEGCSA-N 0 3 220.272 0.874 20 0 BCADHN C[C@@H](C(=O)N1CC[C@H](N2CCCC2)C1)N(C)C ZINC000674247296 487526821 /nfs/dbraw/zinc/52/68/21/487526821.db2.gz XPFCZBLQLZMQGT-RYUDHWBXSA-N 0 3 239.363 0.633 20 0 BCADHN CCN(C[C@H]1CCOC1)[C@H]1CCCNC1=O ZINC000677886432 488147945 /nfs/dbraw/zinc/14/79/45/488147945.db2.gz QGHAXMGZHDPLPG-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000167381556 488164849 /nfs/dbraw/zinc/16/48/49/488164849.db2.gz AEPHYRSZXLVCBB-DCAQKATOSA-N 0 3 226.320 0.670 20 0 BCADHN Cc1nnsc1CN1CCNC[C@](C)(F)C1 ZINC000662273776 490044758 /nfs/dbraw/zinc/04/47/58/490044758.db2.gz OTGDNARDXFCOPX-JTQLQIEISA-N 0 3 244.339 0.980 20 0 BCADHN CCCN(CCN(C)C)C(=O)C[C@@H]1CC(=O)N1 ZINC000668301986 487636096 /nfs/dbraw/zinc/63/60/96/487636096.db2.gz XGXWDLRAEAWSNI-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN C[C@@](O)(CO)CNCc1cc2cnccc2o1 ZINC000651963366 487672513 /nfs/dbraw/zinc/67/25/13/487672513.db2.gz RYKYDCSVVULCHM-LBPRGKRZSA-N 0 3 236.271 0.661 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1NCc1cccnc1N ZINC000653741642 487698968 /nfs/dbraw/zinc/69/89/68/487698968.db2.gz HIPWXKGIQOESBI-VHSXEESVSA-N 0 3 221.304 0.913 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H]1COC)N(C)C ZINC000665751673 487760935 /nfs/dbraw/zinc/76/09/35/487760935.db2.gz RTNSUUAPWDLTLL-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN OC[C@H](O)CNCc1nccc2ccccc21 ZINC000682408139 487951553 /nfs/dbraw/zinc/95/15/53/487951553.db2.gz TYTNWHKXMMPGID-LLVKDONJSA-N 0 3 232.283 0.678 20 0 BCADHN Cn1cc(CN2CC[C@H](Cn3ccnn3)C2)cn1 ZINC000661142163 488074672 /nfs/dbraw/zinc/07/46/72/488074672.db2.gz SNUMTCAMUVMQKW-NSHDSACASA-N 0 3 246.318 0.534 20 0 BCADHN C1CN[C@@H](c2nc([C@@H]3CCCN3)no2)C1 ZINC000258133165 488101909 /nfs/dbraw/zinc/10/19/09/488101909.db2.gz UVCIWAXWAISNDD-JGVFFNPUSA-N 0 3 208.265 0.919 20 0 BCADHN CCN1CCN(CCNC(=O)CCCF)CC1 ZINC000668677191 488100602 /nfs/dbraw/zinc/10/06/02/488100602.db2.gz ZFSCRCLROLCWIT-UHFFFAOYSA-N 0 3 245.342 0.490 20 0 BCADHN COCCNCCNC(=O)[C@H](C)OCC1CC1 ZINC000237302565 488141860 /nfs/dbraw/zinc/14/18/60/488141860.db2.gz FFQWYCBDCGKHKA-JTQLQIEISA-N 0 3 244.335 0.154 20 0 BCADHN CC(C)[C@@H](N)c1cn([C@H]2CCN(C)C2=O)nn1 ZINC000379622779 488145211 /nfs/dbraw/zinc/14/52/11/488145211.db2.gz WXUNDZFJKUBIHM-VHSXEESVSA-N 0 3 237.307 0.337 20 0 BCADHN CCN(C[C@@H]1CCOC1)[C@H](C)C(N)=O ZINC000677885357 488147256 /nfs/dbraw/zinc/14/72/56/488147256.db2.gz AIUHIFJOSINKOL-BDAKNGLRSA-N 0 3 200.282 0.219 20 0 BCADHN CCN(C[C@@H]1CCOC1)[C@@H](C)C(=O)N(C)C ZINC000677885294 488147413 /nfs/dbraw/zinc/14/74/13/488147413.db2.gz HISMIGPSZPVYFV-QWRGUYRKSA-N 0 3 228.336 0.822 20 0 BCADHN CN(CCCn1ccnc1)C(=O)CNC1CC1 ZINC000237129936 488149433 /nfs/dbraw/zinc/14/94/33/488149433.db2.gz YAXFFGXJPGNOOL-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1C[C@H](OC)C1(C)C ZINC000379805492 488151026 /nfs/dbraw/zinc/15/10/26/488151026.db2.gz NSGSPSCGEDGDFA-CIUDSAMLSA-N 0 3 214.309 0.524 20 0 BCADHN c1cc2n(n1)CCC[C@H]2NCCn1cncn1 ZINC000657855107 488151109 /nfs/dbraw/zinc/15/11/09/488151109.db2.gz CZRAMIUYMJYBMW-SNVBAGLBSA-N 0 3 232.291 0.599 20 0 BCADHN C[C@@H](O)C[C@@H](C)CNC(=O)C1(N)CCCC1 ZINC000237384692 488152348 /nfs/dbraw/zinc/15/23/48/488152348.db2.gz AQDCWXUIFWSNOW-NXEZZACHSA-N 0 3 228.336 0.781 20 0 BCADHN CC[C@@H](C)CN(C)[C@@H](COC)C(N)=O ZINC000339354468 488152732 /nfs/dbraw/zinc/15/27/32/488152732.db2.gz GZIBXNRFVVWHDH-BDAKNGLRSA-N 0 3 202.298 0.465 20 0 BCADHN CCn1cc(CN[C@@H](C)[C@H]2CCOC2)nn1 ZINC000404444230 488161021 /nfs/dbraw/zinc/16/10/21/488161021.db2.gz ZDDURRAVQSFFJZ-UWVGGRQHSA-N 0 3 224.308 0.813 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1CO[C@H](C2CC2)C1 ZINC000667927451 488161242 /nfs/dbraw/zinc/16/12/42/488161242.db2.gz XNYFWVUXTNKLQC-GDPRMGEGSA-N 0 3 226.320 0.668 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@@H](CO)CC1 ZINC000340970273 488161473 /nfs/dbraw/zinc/16/14/73/488161473.db2.gz CXPIJJKYTHFFHY-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN CCOCC[C@@H](O)CN1CCN(CC)[C@H](C)C1 ZINC000683435076 488161712 /nfs/dbraw/zinc/16/17/12/488161712.db2.gz ZBTRWBJYYRCPME-CHWSQXEVSA-N 0 3 244.379 0.800 20 0 BCADHN CCN(CCn1ccnc1C)CC(=O)N(C)C ZINC000677980869 488167569 /nfs/dbraw/zinc/16/75/69/488167569.db2.gz LVWCIVKQPSFENI-UHFFFAOYSA-N 0 3 238.335 0.602 20 0 BCADHN COCCNCC(=O)N[C@@H]1CCS[C@@H]1C ZINC000380028775 488168182 /nfs/dbraw/zinc/16/81/82/488168182.db2.gz ZUKWDPDENMUABV-RKDXNWHRSA-N 0 3 232.349 0.233 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 ZINC000683477617 488172022 /nfs/dbraw/zinc/17/20/22/488172022.db2.gz BTPBRPIKIUPTKS-VIFPVBQESA-N 0 3 241.335 0.051 20 0 BCADHN C[C@@H]1COCC[C@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000683480271 488172775 /nfs/dbraw/zinc/17/27/75/488172775.db2.gz RNPVUVOWAYOYAM-GRYCIOLGSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCCc2n[nH]cc2C1 ZINC000404724211 488176302 /nfs/dbraw/zinc/17/63/02/488176302.db2.gz MJRZJKNLGYUXMK-NSHDSACASA-N 0 3 236.319 0.668 20 0 BCADHN C[C@H](CO)CN1CCN(C[C@H]2CCCO2)CC1 ZINC000678043472 488178210 /nfs/dbraw/zinc/17/82/10/488178210.db2.gz UAIYOBVOYMCNCL-QWHCGFSZSA-N 0 3 242.363 0.411 20 0 BCADHN CCOCCN1CCC[C@@]12CCNC2=O ZINC000519638127 488179609 /nfs/dbraw/zinc/17/96/09/488179609.db2.gz AFMFNRSXRODOKX-NSHDSACASA-N 0 3 212.293 0.377 20 0 BCADHN C[C@@H](CO)CN1CCC[C@H](N2CCNC2=O)C1 ZINC000678044473 488180344 /nfs/dbraw/zinc/18/03/44/488180344.db2.gz CEYSTATYVCIZAC-MNOVXSKESA-N 0 3 241.335 0.104 20 0 BCADHN C[C@@H](CO)CN1CC[C@H](N2CCCC2=O)C1 ZINC000678046022 488182510 /nfs/dbraw/zinc/18/25/10/488182510.db2.gz NXFAWDTUKCUZAT-MNOVXSKESA-N 0 3 226.320 0.312 20 0 BCADHN C[C@@H](C(=O)N1CCN(C)CC1(C)C)N(C)C ZINC000678055729 488188489 /nfs/dbraw/zinc/18/84/89/488188489.db2.gz LTFMYRVTMPWMIF-JTQLQIEISA-N 0 3 227.352 0.489 20 0 BCADHN Cc1ncc(CN2CC[C@@H](C)[C@H]2CO)n1C ZINC000668035354 488192829 /nfs/dbraw/zinc/19/28/29/488192829.db2.gz JUHXCXBKRYRSNW-BXKDBHETSA-N 0 3 223.320 0.931 20 0 BCADHN Cc1ncc(CN2C[C@H](O)C[C@@H]2C)n1C ZINC000668045635 488194031 /nfs/dbraw/zinc/19/40/31/488194031.db2.gz WOTKIMNKSSSAMT-GZMMTYOYSA-N 0 3 209.293 0.684 20 0 BCADHN CCC[C@H](O)CC(=O)NCC1(N(C)C)CC1 ZINC000668051840 488195788 /nfs/dbraw/zinc/19/57/88/488195788.db2.gz LPLUSCZYIKWGHJ-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@H](N[C@H]1C[C@H](OC)C12CCC2)C(N)=O ZINC000308353518 488201807 /nfs/dbraw/zinc/20/18/07/488201807.db2.gz XEVYNFWCVFSAQB-GUBZILKMSA-N 0 3 226.320 0.798 20 0 BCADHN COC[C@H](CO)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000668095688 488202304 /nfs/dbraw/zinc/20/23/04/488202304.db2.gz OILCWXWBYAZNOC-GARJFASQSA-N 0 3 215.293 0.151 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2cnc3n2CCC3)C1 ZINC000668097518 488203473 /nfs/dbraw/zinc/20/34/73/488203473.db2.gz LDMMHMSSQLVBQO-ZDUSSCGKSA-N 0 3 248.330 0.527 20 0 BCADHN C[C@H]1C[C@@H](O)CN1Cc1ccn(C)c(=O)c1 ZINC000677728585 488203661 /nfs/dbraw/zinc/20/36/61/488203661.db2.gz KHVNNVUHXXBBJZ-GXSJLCMTSA-N 0 3 222.288 0.340 20 0 BCADHN CC(C(=O)NCC[C@H]1CCCO1)S(C)(=O)=O ZINC000078539733 488206649 /nfs/dbraw/zinc/20/66/49/488206649.db2.gz QPDZZASZEUUXDH-DTWKUNHWSA-N 0 3 249.332 0.105 20 0 BCADHN CC(C)NCC(=O)N[C@H]1CCS[C@H]1C ZINC000308550662 488206897 /nfs/dbraw/zinc/20/68/97/488206897.db2.gz WEYJHPDTICULIV-IUCAKERBSA-N 0 3 216.350 0.995 20 0 BCADHN CCN(CCNC(=O)[C@@H](COC)OC)C1CC1 ZINC000668152790 488211086 /nfs/dbraw/zinc/21/10/86/488211086.db2.gz ZFQLDSZYVXVGMQ-LLVKDONJSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H](CN(C)C)NCc1cn2cccnc2n1 ZINC000668153678 488211135 /nfs/dbraw/zinc/21/11/35/488211135.db2.gz VYGSIGVVNHOHIT-JTQLQIEISA-N 0 3 233.319 0.769 20 0 BCADHN OCCN1CCN(CCC2CCC2)CC1 ZINC000398472319 488218713 /nfs/dbraw/zinc/21/87/13/488218713.db2.gz PYZATKQTPUCPIU-UHFFFAOYSA-N 0 3 212.337 0.787 20 0 BCADHN C[C@H]1C[C@H](CO)CN(Cc2cn[nH]c2)C1 ZINC000398639418 488220251 /nfs/dbraw/zinc/22/02/51/488220251.db2.gz VYTPSRRTFIKEMX-UWVGGRQHSA-N 0 3 209.293 0.860 20 0 BCADHN CC(C)NCC(=O)NC[C@H](C)C[C@@H](C)O ZINC000398644845 488221585 /nfs/dbraw/zinc/22/15/85/488221585.db2.gz WKBUWYKZIKGRAZ-NXEZZACHSA-N 0 3 216.325 0.508 20 0 BCADHN COCCN(C[C@H](C)CO)[C@@H]1CCOC1 ZINC000683802070 488223924 /nfs/dbraw/zinc/22/39/24/488223924.db2.gz KSQJYWMEJXBNSR-WDEREUQCSA-N 0 3 217.309 0.352 20 0 BCADHN Cc1ncc(CN[C@H]2CC[C@@H](CO)C2)n1C ZINC000668208512 488225284 /nfs/dbraw/zinc/22/52/84/488225284.db2.gz BSNBKUIMEBAJHW-MNOVXSKESA-N 0 3 223.320 0.979 20 0 BCADHN CC1(CN2CCC(NS(C)(=O)=O)CC2)CC1 ZINC000683824839 488226642 /nfs/dbraw/zinc/22/66/42/488226642.db2.gz IRBGTUWYGJFEMJ-UHFFFAOYSA-N 0 3 246.376 0.800 20 0 BCADHN CN(C)C[C@]1(O)CCCN(C(=O)C(C)(C)C)C1 ZINC000683910714 488234850 /nfs/dbraw/zinc/23/48/50/488234850.db2.gz AOZUQOFXPSTTSA-CYBMUJFWSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@H](CO)N1CCN(Cc2cn[nH]c2)CC1 ZINC000678283043 488236788 /nfs/dbraw/zinc/23/67/88/488236788.db2.gz WSFSQDUDMPNFCD-GFCCVEGCSA-N 0 3 238.335 0.298 20 0 BCADHN c1cn(C[C@@H]2CCCN(Cc3cn[nH]c3)C2)nn1 ZINC000678341515 488242536 /nfs/dbraw/zinc/24/25/36/488242536.db2.gz UXONPFULSWSZJE-LLVKDONJSA-N 0 3 246.318 0.913 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C)C1 ZINC000678360802 488246645 /nfs/dbraw/zinc/24/66/45/488246645.db2.gz JOCXKFGTRNOJBK-AXFHLTTASA-N 0 3 226.320 0.622 20 0 BCADHN CCn1nccc1CNC[C@@H]1CCCC(=O)N1 ZINC000683931307 488247201 /nfs/dbraw/zinc/24/72/01/488247201.db2.gz BRPIHGBYCYHXKX-JTQLQIEISA-N 0 3 236.319 0.661 20 0 BCADHN Cc1nccc(C(=O)N[C@@H](C)CN(C)C)n1 ZINC000672516893 488257956 /nfs/dbraw/zinc/25/79/56/488257956.db2.gz YBELVJCXNYRBKX-QMMMGPOBSA-N 0 3 222.292 0.465 20 0 BCADHN Cc1cc(C(=O)N[C@@H](C)CN(C)C)c(C)nn1 ZINC000672516800 488258471 /nfs/dbraw/zinc/25/84/71/488258471.db2.gz MQTTYEMOVFFFFY-VIFPVBQESA-N 0 3 236.319 0.773 20 0 BCADHN Cc1ncccc1CNCCc1nnnn1C ZINC000678499267 488263199 /nfs/dbraw/zinc/26/31/99/488263199.db2.gz VBTLBJFADUHBKJ-UHFFFAOYSA-N 0 3 232.291 0.246 20 0 BCADHN Cc1cc(CNC(=O)N[C@@H](C)CN(C)C)[nH]n1 ZINC000672882925 488268682 /nfs/dbraw/zinc/26/86/82/488268682.db2.gz CYSGXKRHSBAOHQ-VIFPVBQESA-N 0 3 239.323 0.467 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)NC[C@](C)(O)CN(C)C ZINC000673080017 488272206 /nfs/dbraw/zinc/27/22/06/488272206.db2.gz NAKGJXWHMMAKSI-KKZNHRDASA-N 0 3 229.324 0.007 20 0 BCADHN CC(C)(O)CCN1CCN([C@@H]2CCOC2)CC1 ZINC000678629366 488274799 /nfs/dbraw/zinc/27/47/99/488274799.db2.gz NYGLPUFVFPRVNX-GFCCVEGCSA-N 0 3 242.363 0.554 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2nccc(C)n2)C1 ZINC000684212399 488278073 /nfs/dbraw/zinc/27/80/73/488278073.db2.gz IHSZQSJFSHOHCK-MWLCHTKSSA-N 0 3 248.330 0.855 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000673412401 488284870 /nfs/dbraw/zinc/28/48/70/488284870.db2.gz FAGWXAAUXBNFLY-SNVBAGLBSA-N 0 3 241.335 0.052 20 0 BCADHN O=C(c1ccc[nH]1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673515952 488291932 /nfs/dbraw/zinc/29/19/32/488291932.db2.gz OVBJYFPVQCFJGI-MNOVXSKESA-N 0 3 249.314 0.296 20 0 BCADHN CC(C)C(NCc1nc(N)nc(N)n1)C(C)C ZINC000678900033 488293148 /nfs/dbraw/zinc/29/31/48/488293148.db2.gz GNBUWVVRGLTLSS-UHFFFAOYSA-N 0 3 238.339 0.806 20 0 BCADHN O=C(N[C@H](CO)CN1CCCC1)c1ccncc1 ZINC000673530756 488294291 /nfs/dbraw/zinc/29/42/91/488294291.db2.gz JGKRHTDYXBYRHD-LBPRGKRZSA-N 0 3 249.314 0.268 20 0 BCADHN CN1CCC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC000673660604 488301512 /nfs/dbraw/zinc/30/15/12/488301512.db2.gz BLPRAWTZWSOBKQ-SNVBAGLBSA-N 0 3 222.292 0.094 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2cn[nH]c2)C1 ZINC000684430072 488306787 /nfs/dbraw/zinc/30/67/87/488306787.db2.gz SCSXKJDLVVQVHZ-SNVBAGLBSA-N 0 3 208.265 0.107 20 0 BCADHN C[C@H]1NC(=O)N([C@H]2CCN(CC3CC3)C2)C1=O ZINC000679138977 488312586 /nfs/dbraw/zinc/31/25/86/488312586.db2.gz IQAPHCDVCTYGBC-SCZZXKLOSA-N 0 3 237.303 0.411 20 0 BCADHN C[C@H](CCCCO)NCc1nnc2n1CCC2 ZINC000679332556 488340810 /nfs/dbraw/zinc/34/08/10/488340810.db2.gz WOHCULICVCQQSQ-SNVBAGLBSA-N 0 3 238.335 0.865 20 0 BCADHN CN1CCC[C@H](NC(=O)NCCF)C1 ZINC000684792315 488342997 /nfs/dbraw/zinc/34/29/97/488342997.db2.gz MMKISHWVOJZRJY-QMMMGPOBSA-N 0 3 203.261 0.349 20 0 BCADHN CN1CCC[C@@H](NC(=O)Cc2ccncc2)C1 ZINC000679444473 488351941 /nfs/dbraw/zinc/35/19/41/488351941.db2.gz WRWIXQLIQHXYPI-GFCCVEGCSA-N 0 3 233.315 0.835 20 0 BCADHN CN1CCC(NC(=O)N2CCC[C@@H](O)C2)CC1 ZINC000193140501 490056537 /nfs/dbraw/zinc/05/65/37/490056537.db2.gz OXRVSLBGFJLBDG-LLVKDONJSA-N 0 3 241.335 0.247 20 0 BCADHN CCCN(CC(=O)NC)C[C@H](C)CO ZINC000120684001 490067261 /nfs/dbraw/zinc/06/72/61/490067261.db2.gz JUAVCOMRSDCEJX-VIFPVBQESA-N 0 3 202.298 0.073 20 0 BCADHN FC1(F)CCN(C[C@H]2CNCCO2)C1 ZINC000259515985 490129719 /nfs/dbraw/zinc/12/97/19/490129719.db2.gz PGUMBJQXTBEJJM-MRVPVSSYSA-N 0 3 206.236 0.316 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644812030 490115345 /nfs/dbraw/zinc/11/53/45/490115345.db2.gz BZJUKRYRSLQNJH-BBBLOLIVSA-N 0 3 212.293 0.184 20 0 BCADHN Cc1cc(NC(=O)C=CCN(C)C)ccn1 ZINC000491850662 490120575 /nfs/dbraw/zinc/12/05/75/490120575.db2.gz QGOQBJAAMJMURN-SNAWJCMRSA-N 0 3 219.288 0.868 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3ccc(F)cn3)[C@@H]2C1 ZINC000644816089 490135244 /nfs/dbraw/zinc/13/52/44/490135244.db2.gz UIQKBIAQHPNVKI-JOYOIKCWSA-N 0 3 249.289 0.997 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1NCCn1ccccc1=O ZINC000129547612 490151371 /nfs/dbraw/zinc/15/13/71/490151371.db2.gz YJIPHLISEXKYBJ-WDEREUQCSA-N 0 3 236.315 0.597 20 0 BCADHN O=C1NCCCC[C@@H]1N[C@@H]1CCCOC1 ZINC000069606533 490174545 /nfs/dbraw/zinc/17/45/45/490174545.db2.gz VNZMMKGGMMUXLR-ZJUUUORDSA-N 0 3 212.293 0.424 20 0 BCADHN CCOC[C@@H](O)CNCc1cccc(CO)c1 ZINC000227467335 490184722 /nfs/dbraw/zinc/18/47/22/490184722.db2.gz OVILTISDUIDTPW-ZDUSSCGKSA-N 0 3 239.315 0.666 20 0 BCADHN CCNC(=O)CN[C@@H]1CCO[C@@H](CC)C1 ZINC000069861720 490190038 /nfs/dbraw/zinc/19/00/38/490190038.db2.gz DBMFJQIOZXYMJB-ZJUUUORDSA-N 0 3 214.309 0.670 20 0 BCADHN O[C@H](CN[C@H]1CCC[C@@H]1O)C(F)(F)F ZINC000236555179 490200528 /nfs/dbraw/zinc/20/05/28/490200528.db2.gz XTAHSQWXPQUDMP-LYFYHCNISA-N 0 3 213.199 0.413 20 0 BCADHN COc1ccnc(C(=O)N2C[C@H](C)NC[C@H]2C)c1 ZINC000237357591 490207433 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PYRPQNUNYMRLSD-LLVKDONJSA-N 0 3 236.319 0.915 20 0 BCADHN O=C(CN[C@H]1CCOC1)NC1CCCC1 ZINC000087416123 491087471 /nfs/dbraw/zinc/08/74/71/491087471.db2.gz GFGZJKCTHYRXAI-JTQLQIEISA-N 0 3 212.293 0.424 20 0 BCADHN CNS(=O)(=O)CCN1CCC[C@H]2CCC[C@@H]21 ZINC000621260104 491093324 /nfs/dbraw/zinc/09/33/24/491093324.db2.gz SVALDPHDAKHSRF-MNOVXSKESA-N 0 3 246.376 0.800 20 0 BCADHN C[C@@H](O)CCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000447630816 491096319 /nfs/dbraw/zinc/09/63/19/491096319.db2.gz SMCUVPGSLTXEAY-ZYHUDNBSSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)Cn2cncn2)CN1C1CC1 ZINC000674689952 491101780 /nfs/dbraw/zinc/10/17/80/491101780.db2.gz SOPQXEJMEKHQFB-ZJUUUORDSA-N 0 3 249.318 0.020 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)Cn2cncn2)CN1C1CC1 ZINC000674689951 491101820 /nfs/dbraw/zinc/10/18/20/491101820.db2.gz SOPQXEJMEKHQFB-VHSXEESVSA-N 0 3 249.318 0.020 20 0 BCADHN C[C@H](CCCO)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000088505866 491103766 /nfs/dbraw/zinc/10/37/66/491103766.db2.gz 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200.282 0.407 20 0 BCADHN CCOc1cccc(CNC[C@](C)(O)CO)c1 ZINC000090285479 491124221 /nfs/dbraw/zinc/12/42/21/491124221.db2.gz RAEVMAREDRTBHM-ZDUSSCGKSA-N 0 3 239.315 0.918 20 0 BCADHN COc1ccc(CNC[C@@](C)(O)CO)cc1O ZINC000090285391 491124254 /nfs/dbraw/zinc/12/42/54/491124254.db2.gz HSRDMHXIAUZLLB-GFCCVEGCSA-N 0 3 241.287 0.234 20 0 BCADHN CC[C@@H](N)C(=O)NCCc1c(C)noc1C ZINC000129786428 491125680 /nfs/dbraw/zinc/12/56/80/491125680.db2.gz CAJVOZNKUQVNAM-SNVBAGLBSA-N 0 3 225.292 0.687 20 0 BCADHN CCN(C)CCNCc1cc(C(N)=O)cs1 ZINC000086573707 491126875 /nfs/dbraw/zinc/12/68/75/491126875.db2.gz WIKGAOOFQFQPAU-UHFFFAOYSA-N 0 3 241.360 0.888 20 0 BCADHN O=C1CC2(CN1)CCN(CCn1cccn1)CC2 ZINC000075012773 491132121 /nfs/dbraw/zinc/13/21/21/491132121.db2.gz IWQFTVANIFIHTR-UHFFFAOYSA-N 0 3 248.330 0.485 20 0 BCADHN CCC(=O)N1CC[C@H](NC2CSC2)C1 ZINC000308522348 491136846 /nfs/dbraw/zinc/13/68/46/491136846.db2.gz PJUVGPZAKXYSPF-QMMMGPOBSA-N 0 3 214.334 0.702 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CCCN(C)C1 ZINC000081900809 491137014 /nfs/dbraw/zinc/13/70/14/491137014.db2.gz YGZLUIIKUPRZKD-ZJUUUORDSA-N 0 3 234.365 0.103 20 0 BCADHN OCCCN(CCn1ccnc1)C1CC1 ZINC000308734339 491137954 /nfs/dbraw/zinc/13/79/54/491137954.db2.gz CSOQLUFEHFXTFI-UHFFFAOYSA-N 0 3 209.293 0.730 20 0 BCADHN CC(C)(C)OCCCNC1(C(N)=O)CC1 ZINC000308979723 491141762 /nfs/dbraw/zinc/14/17/62/491141762.db2.gz HRWRJYMJLKHYSB-UHFFFAOYSA-N 0 3 214.309 0.799 20 0 BCADHN c1n[nH]cc1CNCCNc1cnccn1 ZINC000309590476 491151886 /nfs/dbraw/zinc/15/18/86/491151886.db2.gz ZAMCCLAALWYMIH-UHFFFAOYSA-N 0 3 218.264 0.401 20 0 BCADHN Cc1cccc(NCCNCc2cnnn2C)n1 ZINC000133493349 491155981 /nfs/dbraw/zinc/15/59/81/491155981.db2.gz FMMLVVHPKKYPCS-UHFFFAOYSA-N 0 3 246.318 0.720 20 0 BCADHN C[C@@H](NCCn1ccccc1=O)c1cnn(C)c1 ZINC000310687423 491162363 /nfs/dbraw/zinc/16/23/63/491162363.db2.gz NKUAODYDWPNBEQ-LLVKDONJSA-N 0 3 246.314 0.933 20 0 BCADHN CCNCC(=O)N[C@H]1CCCn2nccc21 ZINC000868052678 582520065 /nfs/dbraw/zinc/52/00/65/582520065.db2.gz 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CCC[C@@](C)(N)C(=O)N1CCO[C@@H](COC)C1 ZINC000262696706 535525185 /nfs/dbraw/zinc/52/51/85/535525185.db2.gz FDKBGJHVAIOZNP-ZYHUDNBSSA-N 0 3 244.335 0.378 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCNC[C@](C)(F)C1 ZINC000336212432 535524813 /nfs/dbraw/zinc/52/48/13/535524813.db2.gz WKJIWUXAGTVOTF-NWDGAFQWSA-N 0 3 245.342 0.664 20 0 BCADHN CC[C@@H](C)N(C)C(=O)[C@H](N)CCC(=O)OC ZINC000342714932 535545427 /nfs/dbraw/zinc/54/54/27/535545427.db2.gz AKQXIOTZWKSXIY-RKDXNWHRSA-N 0 3 230.308 0.524 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC000249802210 535567382 /nfs/dbraw/zinc/56/73/82/535567382.db2.gz DFSQGZPKDLRTOE-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CCCn1cc(CNC[C@H]2COCCO2)cn1 ZINC000227284419 535611501 /nfs/dbraw/zinc/61/15/01/535611501.db2.gz UILFIXNTFIFDCX-LBPRGKRZSA-N 0 3 239.319 0.798 20 0 BCADHN CCOCCNC(=O)N[C@H](C)CN(C)C ZINC000350049183 535619824 /nfs/dbraw/zinc/61/98/24/535619824.db2.gz KGEDCDSOBUWRMZ-SECBINFHSA-N 0 3 217.313 0.272 20 0 BCADHN CCN(CC)[C@@H](C)C(=O)NCCCOC 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/nfs/dbraw/zinc/68/20/13/535682013.db2.gz NAKSAWSMQWOSNZ-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN CCOC(=O)COCCN(C)CCOC ZINC000087256439 535685798 /nfs/dbraw/zinc/68/57/98/535685798.db2.gz DQENNCASQLVKDT-UHFFFAOYSA-N 0 3 219.281 0.144 20 0 BCADHN CCOC(=O)COCCN(C)C1(CO)CC1 ZINC000352115652 535686230 /nfs/dbraw/zinc/68/62/30/535686230.db2.gz NGNDIKHRGZOAQD-UHFFFAOYSA-N 0 3 231.292 0.023 20 0 BCADHN CCN(C)C(=O)CN(C)CCCCCO ZINC000227114769 535712328 /nfs/dbraw/zinc/71/23/28/535712328.db2.gz FMKNDAJREWLWHK-UHFFFAOYSA-N 0 3 216.325 0.559 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H]1CSC[C@@H]1C ZINC000352166319 535749831 /nfs/dbraw/zinc/74/98/31/535749831.db2.gz MUFAXSONYKOMPQ-VHSXEESVSA-N 0 3 245.392 0.989 20 0 BCADHN CCN(CC(=O)NCC(C)C)CC(C)(C)O ZINC000078738129 535772324 /nfs/dbraw/zinc/77/23/24/535772324.db2.gz SIGGIMPCDMTQDE-UHFFFAOYSA-N 0 3 230.352 0.851 20 0 BCADHN CC[C@@H](OC)C(=O)N1CCNC(C)(C)C1 ZINC000261531485 535816752 /nfs/dbraw/zinc/81/67/52/535816752.db2.gz GSPVBTXBXIONKB-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000336003981 535837310 /nfs/dbraw/zinc/83/73/10/535837310.db2.gz HNDSIFPHNSCQFQ-RQJHMYQMSA-N 0 3 240.225 0.513 20 0 BCADHN CN(C)CCNC(=O)NC[C@H]1CCCCO1 ZINC000342666913 535885237 /nfs/dbraw/zinc/88/52/37/535885237.db2.gz OICWPEFACVVZNG-SNVBAGLBSA-N 0 3 229.324 0.416 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249160917 535886322 /nfs/dbraw/zinc/88/63/22/535886322.db2.gz JFPMFKASBWWFTC-AXFHLTTASA-N 0 3 241.335 0.415 20 0 BCADHN CN(C)CCOCCNC(=O)[C@@]1(C)CCCO1 ZINC000345935513 535900139 /nfs/dbraw/zinc/90/01/39/535900139.db2.gz PPRVPZUGGZROFH-GFCCVEGCSA-N 0 3 244.335 0.250 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCC(F)(F)CN ZINC000261586276 535952514 /nfs/dbraw/zinc/95/25/14/535952514.db2.gz QYRLABRQKGORSR-BQBZGAKWSA-N 0 3 223.267 0.070 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000084238938 535953753 /nfs/dbraw/zinc/95/37/53/535953753.db2.gz CKEYSCZMWRQJIB-MMWGEVLESA-N 0 3 228.336 0.637 20 0 BCADHN CN(C(=O)[C@@H](N)C(C)(C)C)c1ccn(C)n1 ZINC000335373526 536058584 /nfs/dbraw/zinc/05/85/84/536058584.db2.gz CLXWVUGBMJZADA-SECBINFHSA-N 0 3 224.308 0.756 20 0 BCADHN CN(C(=O)[C@H]1CCCCN1)c1ccn(C)n1 ZINC000335373959 536061943 /nfs/dbraw/zinc/06/19/43/536061943.db2.gz DYOQIBNRRMKPKT-SECBINFHSA-N 0 3 222.292 0.525 20 0 BCADHN CC[C@H](CCO)CN[C@@H](C)CS(C)(=O)=O ZINC000087362952 536090203 /nfs/dbraw/zinc/09/02/03/536090203.db2.gz VOEKOPBYNOORQU-VHSXEESVSA-N 0 3 237.365 0.418 20 0 BCADHN CC[C@H]1CC[C@@H](C)N1CC(=O)N1CCNC1=O ZINC000335314622 536090955 /nfs/dbraw/zinc/09/09/55/536090955.db2.gz QFGWVRZGCPRYJS-ZJUUUORDSA-N 0 3 239.319 0.801 20 0 BCADHN C[NH+](C)C(C)(C)CN=c1ncnc2[nH][n-]cc1-2 ZINC000344533307 536108198 /nfs/dbraw/zinc/10/81/98/536108198.db2.gz OXVSQJVGHTVKNN-UHFFFAOYSA-N 0 3 234.307 0.479 20 0 BCADHN CCc1cc(C(=O)NCCN(C)C)cc(=O)[nH]1 ZINC000155199774 536121874 /nfs/dbraw/zinc/12/18/74/536121874.db2.gz YQLVRHWOICXLNA-UHFFFAOYSA-N 0 3 237.303 0.229 20 0 BCADHN CC[C@H](N)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000336127905 536138576 /nfs/dbraw/zinc/13/85/76/536138576.db2.gz QPHJTXYUCFYOAY-JTQLQIEISA-N 0 3 236.319 0.853 20 0 BCADHN CC[C@H](N)C(=O)N1CCCn2nccc21 ZINC000335345292 536140245 /nfs/dbraw/zinc/14/02/45/536140245.db2.gz NLBXBXZCQLIKBA-QMMMGPOBSA-N 0 3 208.265 0.357 20 0 BCADHN CCc1cc(N2CCNC(=O)C2)ccn1 ZINC000336195015 536146466 /nfs/dbraw/zinc/14/64/66/536146466.db2.gz AINDQTAYNMGIHO-UHFFFAOYSA-N 0 3 205.261 0.580 20 0 BCADHN CCc1cc(N2CCNC(=O)[C@@H]2C)ccn1 ZINC000336186067 536146728 /nfs/dbraw/zinc/14/67/28/536146728.db2.gz OKNGUNUMFWROCY-VIFPVBQESA-N 0 3 219.288 0.969 20 0 BCADHN CN(CC(N)=O)C(=O)C12CCCN1CCC2 ZINC000336208969 536165446 /nfs/dbraw/zinc/16/54/46/536165446.db2.gz SHEJVIRIRKGYRG-UHFFFAOYSA-N 0 3 225.292 0.608 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@H]1CCCCN1 ZINC000261570732 536306760 /nfs/dbraw/zinc/30/67/60/536306760.db2.gz HDVCEYZNZCGDEH-RKDXNWHRSA-N 0 3 228.292 0.196 20 0 BCADHN CNC(=O)NC(=O)CN1C[C@H](C)CC[C@@H]1C ZINC000076149750 536323621 /nfs/dbraw/zinc/32/36/21/536323621.db2.gz CPCVDTAPCSMVTJ-BDAKNGLRSA-N 0 3 227.308 0.562 20 0 BCADHN CN1CCC(NC(=O)N[C@H]2CCCOC2)CC1 ZINC000171591052 536342509 /nfs/dbraw/zinc/34/25/09/536342509.db2.gz FYZRMVUDKNRYHJ-NSHDSACASA-N 0 3 241.335 0.559 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@@]1(C)CCOC1 ZINC000335998951 536373978 /nfs/dbraw/zinc/37/39/78/536373978.db2.gz NYYKVNIGFMLKRJ-PWSUYJOCSA-N 0 3 226.320 0.623 20 0 BCADHN CNC(=O)[C@H](NC[C@H]1CCCCO1)C(C)C ZINC000183635497 536382584 /nfs/dbraw/zinc/38/25/84/536382584.db2.gz OPJKQMHZQXSCSR-GHMZBOCLSA-N 0 3 228.336 0.916 20 0 BCADHN CN(C[C@H](O)Cn1cccn1)[C@@H]1CCCOC1 ZINC000352195742 536443023 /nfs/dbraw/zinc/44/30/23/536443023.db2.gz TZAQTMSWMIRKEC-NEPJUHHUSA-N 0 3 239.319 0.355 20 0 BCADHN CN(C[C@H]1CCC[C@H]1O)C(=O)C(C)(C)N ZINC000335375140 536448467 /nfs/dbraw/zinc/44/84/67/536448467.db2.gz MEAIKDKWQDVCTL-RKDXNWHRSA-N 0 3 214.309 0.343 20 0 BCADHN COC[C@H]1CCCCN([C@H]2CCNC2=O)C1 ZINC000342754788 536496124 /nfs/dbraw/zinc/49/61/24/536496124.db2.gz QPUJPUOIIZBDDZ-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN COC[C@@H](C)N(C)C(=O)[C@]1(F)CCNC1 ZINC000178431910 536519248 /nfs/dbraw/zinc/51/92/48/536519248.db2.gz ZRZXFRXSGQWULB-SCZZXKLOSA-N 0 3 218.272 0.181 20 0 BCADHN COC[C@@H](C)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000129942094 536554502 /nfs/dbraw/zinc/55/45/02/536554502.db2.gz NJJBEMZRLFTYTO-ZJUUUORDSA-N 0 3 214.309 0.620 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000261531538 536557208 /nfs/dbraw/zinc/55/72/08/536557208.db2.gz GXQWYWZGKQVJPX-IVZWLZJFSA-N 0 3 214.309 0.465 20 0 BCADHN COCCO[C@@H]1CCCN(C[C@H](C)O)C1 ZINC000248770357 536558230 /nfs/dbraw/zinc/55/82/30/536558230.db2.gz SOVZPBKISONRQS-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN COC1(C)CCN([C@@H]2CCCNC2=O)CC1 ZINC000335565396 536566405 /nfs/dbraw/zinc/56/64/05/536566405.db2.gz MTWMMVJUMBWOLY-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CO[C@@H]1CCCC[C@H]1N[C@H](C)C(N)=O ZINC000252424108 536603579 /nfs/dbraw/zinc/60/35/79/536603579.db2.gz DZXRHLZMFDLEPZ-IWSPIJDZSA-N 0 3 200.282 0.407 20 0 BCADHN CO[C@@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000178028622 536607593 /nfs/dbraw/zinc/60/75/93/536607593.db2.gz IVGSRDXILMCFSM-SNVBAGLBSA-N 0 3 226.320 0.895 20 0 BCADHN COC[C@]1(C)CCN([C@@H]2CCNC2=O)C1 ZINC000335682340 536676083 /nfs/dbraw/zinc/67/60/83/536676083.db2.gz KDZQSMPDLFOJCH-MWLCHTKSSA-N 0 3 212.293 0.233 20 0 BCADHN CO[C@@H]1C[C@H](N[C@@H]2CCN(C)C2=O)C1(C)C ZINC000227790327 536809304 /nfs/dbraw/zinc/80/93/04/536809304.db2.gz XGKXICTYEAREAP-KXUCPTDWSA-N 0 3 226.320 0.620 20 0 BCADHN COCC1(C(=O)NCCN(C)C2CC2)CC1 ZINC000352224899 536810994 /nfs/dbraw/zinc/81/09/94/536810994.db2.gz FLSKJYGZQKTDKI-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN COC[C@@]1(C)CCN([C@H]2CCN(C)C2=O)C1 ZINC000336206585 536823948 /nfs/dbraw/zinc/82/39/48/536823948.db2.gz FKMQGSRNGOTBDD-JQWIXIFHSA-N 0 3 226.320 0.576 20 0 BCADHN COC[C@@H](C)C(=O)N1CCCNCC1 ZINC000178358642 536863629 /nfs/dbraw/zinc/86/36/29/536863629.db2.gz OBQSQYKVHOEFQH-SECBINFHSA-N 0 3 200.282 0.091 20 0 BCADHN COC[C@H](CN[C@@H](C)c1cnn(C)c1)OC ZINC000227714933 536853884 /nfs/dbraw/zinc/85/38/84/536853884.db2.gz LSAKGKOTVXSIDY-ONGXEEELSA-N 0 3 227.308 0.732 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H]1CCCNC1=O ZINC000252714066 536878192 /nfs/dbraw/zinc/87/81/92/536878192.db2.gz QXKZUAZOGXVHDP-YIZRAAEISA-N 0 3 200.282 0.278 20 0 BCADHN COc1ccc2c(c1)CCN2C(=O)[C@H]1CCN1 ZINC000335877766 536979180 /nfs/dbraw/zinc/97/91/80/536979180.db2.gz GCJAHGMAIIEMJF-LLVKDONJSA-N 0 3 232.283 0.946 20 0 BCADHN CN(C[C@@H](O)CN1CC(C)(C)C1)C1CC1 ZINC000382036091 538117825 /nfs/dbraw/zinc/11/78/25/538117825.db2.gz GKQWNOPOXMKHDK-LLVKDONJSA-N 0 3 212.337 0.783 20 0 BCADHN CCN(CCNC(=O)N1CC[C@@H]1CO)C1CC1 ZINC000892663058 582944279 /nfs/dbraw/zinc/94/42/79/582944279.db2.gz RJLZWEOBRMROBT-LLVKDONJSA-N 0 3 241.335 0.247 20 0 BCADHN COCC[C@H](C)N1CCNC(=O)CC1 ZINC000436205978 566368656 /nfs/dbraw/zinc/36/86/56/566368656.db2.gz UXPMSZKQQUDFGJ-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CO[C@@H]1CC[C@@H](N[C@@H](CO)c2cnn(C)c2)C1 ZINC000851933651 582981410 /nfs/dbraw/zinc/98/14/10/582981410.db2.gz SPUPEOUUFRPAPR-UTUOFQBUSA-N 0 3 239.319 0.611 20 0 BCADHN CC[S@@](=O)CCN[C@H](C)COCCOC ZINC000892952519 583017496 /nfs/dbraw/zinc/01/74/96/583017496.db2.gz YZIJWXYKIRSDDT-MEBBXXQBSA-N 0 3 237.365 0.396 20 0 BCADHN CC(=O)OC[C@H](C)NCc1cc(C)[nH]n1 ZINC000893029293 583032631 /nfs/dbraw/zinc/03/26/31/583032631.db2.gz RNEQTBXMIYZOBD-QMMMGPOBSA-N 0 3 211.265 0.759 20 0 BCADHN Cn1ccc(CNc2ccncc2CO)n1 ZINC000893051196 583038258 /nfs/dbraw/zinc/03/82/58/583038258.db2.gz SLRIXCCPDBODOT-UHFFFAOYSA-N 0 3 218.260 0.341 20 0 BCADHN CNC(=O)[C@@H](N[C@H](C)COC(C)=O)C(C)C ZINC000893191716 583068147 /nfs/dbraw/zinc/06/81/47/583068147.db2.gz PQJJCMTVCHGCHW-SCZZXKLOSA-N 0 3 230.308 0.298 20 0 BCADHN Cc1cc(CNCC2(CO)COC2)cnc1F ZINC000893192690 583068669 /nfs/dbraw/zinc/06/86/69/583068669.db2.gz YPUGCTJUOHDFEY-UHFFFAOYSA-N 0 3 240.278 0.628 20 0 BCADHN CS(=O)(=O)C1CC(N[C@H](CO)CC2CC2)C1 ZINC000893210319 583072000 /nfs/dbraw/zinc/07/20/00/583072000.db2.gz MSBWULCJQLKJPA-YVNMAJEFSA-N 0 3 247.360 0.313 20 0 BCADHN CCOc1ccc(CNC[C@@]2(O)CCOC2)o1 ZINC000893216388 583073081 /nfs/dbraw/zinc/07/30/81/583073081.db2.gz SKZSMCOVFCXRBN-LBPRGKRZSA-N 0 3 241.287 0.919 20 0 BCADHN C[C@H](O)CN(C)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893546043 583161618 /nfs/dbraw/zinc/16/16/18/583161618.db2.gz ONKIZNIIRRKYDT-HBNTYKKESA-N 0 3 247.310 0.933 20 0 BCADHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)COC(C)=O ZINC000893573437 583165987 /nfs/dbraw/zinc/16/59/87/583165987.db2.gz YAGPRBCNMGZORX-ADEWGFFLSA-N 0 3 245.319 0.722 20 0 BCADHN CCN(C)C(=O)CN[C@@H](C)COCCOC ZINC000893685590 583199141 /nfs/dbraw/zinc/19/91/41/583199141.db2.gz PNTWEVXVVKLDPP-JTQLQIEISA-N 0 3 232.324 0.106 20 0 BCADHN CC(C)[C@@H](CO)CNc1ccncc1CO ZINC000893854033 583235734 /nfs/dbraw/zinc/23/57/34/583235734.db2.gz AUVNPKWFIPTSPI-SNVBAGLBSA-N 0 3 224.304 0.672 20 0 BCADHN CCN(CCO)C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000893870828 583236446 /nfs/dbraw/zinc/23/64/46/583236446.db2.gz CTKDFNNMKPMFOQ-HTQZYQBOSA-N 0 3 237.246 0.355 20 0 BCADHN Cc1cc(N2CC[C@@](O)(C(F)F)C2)nc(N)n1 ZINC000894049068 583288332 /nfs/dbraw/zinc/28/83/32/583288332.db2.gz SHGYITMOOOIDMA-JTQLQIEISA-N 0 3 244.245 0.574 20 0 BCADHN CC1(CO)CN(c2ccncc2CO)C1 ZINC000894080001 583299038 /nfs/dbraw/zinc/29/90/38/583299038.db2.gz UOMFDRNJJFNVHM-UHFFFAOYSA-N 0 3 208.261 0.393 20 0 BCADHN COCCNC[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894146500 583318311 /nfs/dbraw/zinc/31/83/11/583318311.db2.gz SPOMGXKSQMABFI-BQBZGAKWSA-N 0 3 223.219 0.277 20 0 BCADHN CC12CC(C1)CN2C(=O)[C@]1(F)CCNC1 ZINC000852931147 588714062 /nfs/dbraw/zinc/71/40/62/588714062.db2.gz UYYSSWVEGMINHT-RFBVYIQQSA-N 0 3 212.268 0.699 20 0 BCADHN O[C@H](CN[C@H]1[C@@H]2COC[C@@H]21)c1ccccn1 ZINC000853104649 588720385 /nfs/dbraw/zinc/72/03/85/588720385.db2.gz WIFBCSPOAIBNML-DMWPJOQESA-N 0 3 220.272 0.349 20 0 BCADHN CC(C(=O)NC1CC1)S(=O)(=O)C(C)(C)C ZINC000853021033 588716103 /nfs/dbraw/zinc/71/61/03/588716103.db2.gz LWYDOFRHXWFXRK-ZETCQYMHSA-N 0 3 233.333 0.867 20 0 BCADHN CC(C)(O)CCNC[C@@H](O)c1ccccn1 ZINC000853104558 588720579 /nfs/dbraw/zinc/72/05/79/588720579.db2.gz JBAJPQPBHIIKNX-LLVKDONJSA-N 0 3 224.304 0.866 20 0 BCADHN CCOCCNC[C@@H](O)c1ccccn1 ZINC000853063024 588718289 /nfs/dbraw/zinc/71/82/89/588718289.db2.gz YQSYKXZDTKSFSN-LLVKDONJSA-N 0 3 210.277 0.741 20 0 BCADHN C[C@H](Cn1ccnc1)NC[C@@H](O)c1ccccn1 ZINC000853097392 588719594 /nfs/dbraw/zinc/71/95/94/588719594.db2.gz AMSQIKQKXBKVRN-DGCLKSJQSA-N 0 3 246.314 0.990 20 0 BCADHN COC(=O)CCCNC[C@@H](O)c1ccccn1 ZINC000853097030 588719803 /nfs/dbraw/zinc/71/98/03/588719803.db2.gz TWFXCVSBPYOWMB-LLVKDONJSA-N 0 3 238.287 0.658 20 0 BCADHN COC[C@H](CNC[C@@H](O)c1ccccn1)OC ZINC000853106046 588720651 /nfs/dbraw/zinc/72/06/51/588720651.db2.gz ZWRZXLYCVAOYRF-CMPLNLGQSA-N 0 3 240.303 0.366 20 0 BCADHN O[C@@H](CN[C@@H]1CCN(C2CC2)C1)c1ccccn1 ZINC000853098740 588719832 /nfs/dbraw/zinc/71/98/32/588719832.db2.gz LTPSWJYHCXZEAY-RISCZKNCSA-N 0 3 247.342 0.941 20 0 BCADHN C[C@]1(CNC[C@H](O)c2ccccn2)CCC(=O)N1 ZINC000853106566 588720790 /nfs/dbraw/zinc/72/07/90/588720790.db2.gz BYFULBJALRSHFB-WCQYABFASA-N 0 3 249.314 0.373 20 0 BCADHN COC[C@H](CNC[C@H](O)c1ccccn1)OC ZINC000853106047 588720809 /nfs/dbraw/zinc/72/08/09/588720809.db2.gz ZWRZXLYCVAOYRF-JQWIXIFHSA-N 0 3 240.303 0.366 20 0 BCADHN O[C@@H](CNC[C@H](O)c1ccccn1)C1CCC1 ZINC000853109264 588721063 /nfs/dbraw/zinc/72/10/63/588721063.db2.gz GMXPQTGDCVZDGF-STQMWFEESA-N 0 3 236.315 0.866 20 0 BCADHN O[C@H](CNC[C@@H](O)C1CCC1)c1ccccn1 ZINC000853109261 588721146 /nfs/dbraw/zinc/72/11/46/588721146.db2.gz GMXPQTGDCVZDGF-CHWSQXEVSA-N 0 3 236.315 0.866 20 0 BCADHN CS(=O)(=O)CCNCCCc1ccco1 ZINC000853122305 588721695 /nfs/dbraw/zinc/72/16/95/588721695.db2.gz MYQBGPAMOHIXIK-UHFFFAOYSA-N 0 3 231.317 0.846 20 0 BCADHN O[C@H](CN[C@@H]1C[C@@H](O)C1)c1ccc(F)cn1 ZINC000853131569 588722143 /nfs/dbraw/zinc/72/21/43/588722143.db2.gz QMWIPTVDUPFNAI-FXPVBKGRSA-N 0 3 226.251 0.367 20 0 BCADHN O[C@@H](CNCCOCCF)c1ccc(F)cn1 ZINC000853133244 588722192 /nfs/dbraw/zinc/72/21/92/588722192.db2.gz GUNPGZQLOWXXKK-NSHDSACASA-N 0 3 246.257 0.830 20 0 BCADHN Nc1ccc(C(=O)N2CCOC3(CNC3)C2)cc1 ZINC000853245624 588728435 /nfs/dbraw/zinc/72/84/35/588728435.db2.gz NATNOZNUJVRYHK-UHFFFAOYSA-N 0 3 247.298 0.083 20 0 BCADHN COCCN(C)CCNc1cnc(F)cn1 ZINC000853256088 588729559 /nfs/dbraw/zinc/72/95/59/588729559.db2.gz PRSLOLMVGFXJPH-UHFFFAOYSA-N 0 3 228.271 0.606 20 0 BCADHN COCCN1CC[C@@H](Nc2cnc(F)cn2)C1 ZINC000853297436 588731479 /nfs/dbraw/zinc/73/14/79/588731479.db2.gz BMLTTXGBBQZFAR-SECBINFHSA-N 0 3 240.282 0.748 20 0 BCADHN CN(CC1CN(C)C1)CN1CC(C)(C)OC1=O ZINC000853552631 588748139 /nfs/dbraw/zinc/74/81/39/588748139.db2.gz CKKNRXMWQHSBMQ-UHFFFAOYSA-N 0 3 241.335 0.668 20 0 BCADHN CN(CC1CN(C)C1)CN1C(=O)CCC1(C)C ZINC000853553417 588748477 /nfs/dbraw/zinc/74/84/77/588748477.db2.gz OFBPJQGULSCMIQ-UHFFFAOYSA-N 0 3 239.363 0.838 20 0 BCADHN C[C@H]1CC(=O)N(CN(C)CC2CN(C)C2)C1 ZINC000853553847 588748669 /nfs/dbraw/zinc/74/86/69/588748669.db2.gz UDBNCQDVWRKGIL-JTQLQIEISA-N 0 3 225.336 0.306 20 0 BCADHN Cc1nc(C(=O)N2CCN[C@H](C(C)C)C2)no1 ZINC000853878969 588766946 /nfs/dbraw/zinc/76/69/46/588766946.db2.gz HUDKDCNLLRJYOX-VIFPVBQESA-N 0 3 238.291 0.448 20 0 BCADHN C[C@@H](CCNC(=O)NCC[S@](C)=O)N(C)C ZINC000853782915 588763091 /nfs/dbraw/zinc/76/30/91/588763091.db2.gz ABUYIYCQAVMLJX-FVMDXXJSSA-N 0 3 249.380 0.004 20 0 BCADHN C[C@H](CCNC(=O)NCC[S@@](C)=O)N(C)C ZINC000853782916 588763174 /nfs/dbraw/zinc/76/31/74/588763174.db2.gz ABUYIYCQAVMLJX-JDNHERCYSA-N 0 3 249.380 0.004 20 0 BCADHN Cc1cc(N(C)C[C@H]2COCCO2)nc(N)n1 ZINC000853829947 588765208 /nfs/dbraw/zinc/76/52/08/588765208.db2.gz PDWISSVWJXKJGR-VIFPVBQESA-N 0 3 238.291 0.219 20 0 BCADHN Cc1cc(N2C[C@H]3COC[C@@]3(C)C2)nc(N)n1 ZINC000853856641 588766047 /nfs/dbraw/zinc/76/60/47/588766047.db2.gz HIANOMWVGBRHAO-JOYOIKCWSA-N 0 3 234.303 0.840 20 0 BCADHN CN(C)CCOCCNC(=O)N[C@H]1C=CCC1 ZINC000854016769 588771776 /nfs/dbraw/zinc/77/17/76/588771776.db2.gz QSXSAXFJXMKVAE-NSHDSACASA-N 0 3 241.335 0.582 20 0 BCADHN FCCCc1nc(N2CCNCC2)no1 ZINC000854162976 588777396 /nfs/dbraw/zinc/77/73/96/588777396.db2.gz DGLCUGNLUXYFLD-UHFFFAOYSA-N 0 3 214.244 0.381 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(C)=NO1 ZINC000854297531 588783131 /nfs/dbraw/zinc/78/31/31/588783131.db2.gz RXZQZDTUKDQPCO-MNOVXSKESA-N 0 3 239.319 0.752 20 0 BCADHN CC(C)[C@@H](F)C(=O)N[C@@H](CO)CN(C)C ZINC000854464619 588788576 /nfs/dbraw/zinc/78/85/76/588788576.db2.gz LEJCWSPSPOLADF-RKDXNWHRSA-N 0 3 220.288 0.019 20 0 BCADHN CSC(C)(C)C(=O)N[C@@H](CO)CN(C)C ZINC000854466484 588788669 /nfs/dbraw/zinc/78/86/69/588788669.db2.gz DKUMBPHFJRBYLS-MRVPVSSYSA-N 0 3 234.365 0.167 20 0 BCADHN CCC/C(C)=C/C(=O)N[C@@H](CO)CN(C)C ZINC000854466434 588788807 /nfs/dbraw/zinc/78/88/07/588788807.db2.gz CPAQUVUCOPRYDR-PFEDMVJOSA-N 0 3 228.336 0.772 20 0 BCADHN CC(C(=O)N[C@@H](CO)CN(C)C)=C1CCC1 ZINC000854467697 588788827 /nfs/dbraw/zinc/78/88/27/588788827.db2.gz JMBKUSVTHQGSCU-LLVKDONJSA-N 0 3 226.320 0.526 20 0 BCADHN CCC/C=C/C(=O)N[C@@H](CO)CN(C)C ZINC000854466613 588788944 /nfs/dbraw/zinc/78/89/44/588788944.db2.gz GZLGPBPAKRASOU-VQCYPWCPSA-N 0 3 214.309 0.381 20 0 BCADHN CN1CCC(CC(=O)N[C@@H]2COC(=O)C2)CC1 ZINC000854555611 588794250 /nfs/dbraw/zinc/79/42/50/588794250.db2.gz TVTBILQZKGWYSL-JTQLQIEISA-N 0 3 240.303 0.150 20 0 BCADHN CO[C@@H]1CC[C@H](C(=O)NOCCN(C)C)C1 ZINC000854690790 588801658 /nfs/dbraw/zinc/80/16/58/588801658.db2.gz LGGGEPUUYIFHTC-VHSXEESVSA-N 0 3 230.308 0.411 20 0 BCADHN O=C(C1CCN(C2CC2)CC1)N1CCOC1 ZINC000854807799 588811647 /nfs/dbraw/zinc/81/16/47/588811647.db2.gz INBCJUIGKPFWOW-UHFFFAOYSA-N 0 3 224.304 0.677 20 0 BCADHN O=C(CN[C@H]1CCOC1)NCc1ccccc1 ZINC000112759360 588815404 /nfs/dbraw/zinc/81/54/04/588815404.db2.gz MJYZMJCARYQAKE-LBPRGKRZSA-N 0 3 234.299 0.681 20 0 BCADHN CNc1ccc(C(=O)NOCCN(C)C)cn1 ZINC000854945229 588817874 /nfs/dbraw/zinc/81/78/74/588817874.db2.gz KVEJLDOEUGYCQL-UHFFFAOYSA-N 0 3 238.291 0.346 20 0 BCADHN COCCCCC(=O)[N-]OCC[NH+](C)C ZINC000854945769 588818025 /nfs/dbraw/zinc/81/80/25/588818025.db2.gz PARCLAJVCQFRDK-UHFFFAOYSA-N 0 3 218.297 0.413 20 0 BCADHN CC[C@H]1C[C@@H](C(=O)NOCCN(C)C)CCO1 ZINC000854945884 588818029 /nfs/dbraw/zinc/81/80/29/588818029.db2.gz UEVKMVFURFOBSH-QWRGUYRKSA-N 0 3 244.335 0.801 20 0 BCADHN CC1=NO[C@H](C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000854967657 588819127 /nfs/dbraw/zinc/81/91/27/588819127.db2.gz GZXJNOWWLZNPFE-MNOVXSKESA-N 0 3 239.319 0.704 20 0 BCADHN C[C@@H](CNC(=O)/C=C/[C@H]1CCCO1)N(C)C ZINC000855008978 588820175 /nfs/dbraw/zinc/82/01/75/588820175.db2.gz FXPMDCBTOKBBPR-FQLSZKSXSA-N 0 3 226.320 0.788 20 0 BCADHN C[C@@H](CNC(=O)/C=C\[C@@H]1CCCO1)N(C)C ZINC000855008981 588820185 /nfs/dbraw/zinc/82/01/85/588820185.db2.gz FXPMDCBTOKBBPR-TWHAFNCTSA-N 0 3 226.320 0.788 20 0 BCADHN CCN(C(=O)[C@@H](O)C(C)(C)C)[C@@H]1CCN(C)C1 ZINC000855361245 588828756 /nfs/dbraw/zinc/82/87/56/588828756.db2.gz UCQKMBRAVPBRQP-GHMZBOCLSA-N 0 3 242.363 0.946 20 0 BCADHN CCN(C(=O)c1cc[n+]([O-])cc1)[C@@H]1CCN(C)C1 ZINC000855364218 588829445 /nfs/dbraw/zinc/82/94/45/588829445.db2.gz ZJLQECLJJOBGRI-GFCCVEGCSA-N 0 3 249.314 0.486 20 0 BCADHN CC(C)NC(=S)NC1CCN(C)CC1 ZINC000013775604 582496961 /nfs/dbraw/zinc/49/69/61/582496961.db2.gz GNWKRYGFXFOJCN-UHFFFAOYSA-N 0 3 215.366 0.953 20 0 BCADHN CN(CC(=O)N1CC[C@@H](O)[C@H](F)C1)C1CCC1 ZINC000890684321 582503919 /nfs/dbraw/zinc/50/39/19/582503919.db2.gz KJHGISWNCGEHSR-GHMZBOCLSA-N 0 3 244.310 0.402 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC[C@@H](O)[C@H](F)C1)N(C)C ZINC000890693337 582507298 /nfs/dbraw/zinc/50/72/98/582507298.db2.gz BPFIXBQWUWSEGC-MXWKQRLJSA-N 0 3 246.326 0.504 20 0 BCADHN C[C@@H](CCNC(=O)[C@@H]1CCC(=O)C1)N(C)C ZINC000855417249 588832194 /nfs/dbraw/zinc/83/21/94/588832194.db2.gz FGNLGJTUIWFVDS-VHSXEESVSA-N 0 3 226.320 0.812 20 0 BCADHN Cc1[nH]cnc1CC(=O)NCC[C@H](O)C1CC1 ZINC000890720874 582515775 /nfs/dbraw/zinc/51/57/75/582515775.db2.gz UJSJUWPJJPQXOA-NSHDSACASA-N 0 3 237.303 0.538 20 0 BCADHN CC(C(=O)N[C@H]1C=CCC1)S(C)(=O)=O ZINC000855422776 588832914 /nfs/dbraw/zinc/83/29/14/588832914.db2.gz XRHKZMBEUZGZCJ-YUMQZZPRSA-N 0 3 217.290 0.254 20 0 BCADHN COCC[C@@H](N)C(=O)N[C@@H](C)CSC ZINC000127583346 582552209 /nfs/dbraw/zinc/55/22/09/582552209.db2.gz YILBIHHBOJRNIR-JGVFFNPUSA-N 0 3 220.338 0.218 20 0 BCADHN C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000843354761 582555108 /nfs/dbraw/zinc/55/51/08/582555108.db2.gz MLXHIBSQGOJRGM-SNVBAGLBSA-N 0 3 249.314 0.798 20 0 BCADHN CCOC(=O)[C@H](CC1CC1)NC(=O)[C@H](N)CC ZINC000843447582 582557629 /nfs/dbraw/zinc/55/76/29/582557629.db2.gz FQICIPXXXHRCAM-ZJUUUORDSA-N 0 3 242.319 0.572 20 0 BCADHN CC[C@H](C(=O)N[C@H]1COC[C@@H]1C1CC1)N(C)C ZINC000891035537 582597954 /nfs/dbraw/zinc/59/79/54/582597954.db2.gz VESYYKCXVWMXEJ-GRYCIOLGSA-N 0 3 240.347 0.868 20 0 BCADHN O=C1NCC[C@H]1CCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000847016062 582673570 /nfs/dbraw/zinc/67/35/70/582673570.db2.gz ZUOBPNVXRZYTFD-XHNCKOQMSA-N 0 3 230.258 0.710 20 0 BCADHN Cc1cc[nH]c1C(=O)N(C)CC1CN(C)C1 ZINC000855640639 588842976 /nfs/dbraw/zinc/84/29/76/588842976.db2.gz AAMFYEFIVPIBFM-UHFFFAOYSA-N 0 3 221.304 0.957 20 0 BCADHN CC(=O)NCCNc1cc(N)ncc1Cl ZINC000891486956 582692000 /nfs/dbraw/zinc/69/20/00/582692000.db2.gz PXFMYHKXYDYXSI-UHFFFAOYSA-N 0 3 228.683 0.865 20 0 BCADHN NC(=O)[C@@H]1CCCN(c2ccncc2CO)C1 ZINC000891492851 582692809 /nfs/dbraw/zinc/69/28/09/582692809.db2.gz HXOOSPNLHJBQGZ-SECBINFHSA-N 0 3 235.287 0.276 20 0 BCADHN CC(C)C(=O)NCCNc1ccncc1CO ZINC000891515515 582694460 /nfs/dbraw/zinc/69/44/60/582694460.db2.gz HCLFUXYEULZVTB-UHFFFAOYSA-N 0 3 237.303 0.180 20 0 BCADHN CCOCCNC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000891778800 582719060 /nfs/dbraw/zinc/71/90/60/582719060.db2.gz DBIPYKIWQFKWPE-MNOVXSKESA-N 0 3 241.335 0.368 20 0 BCADHN CCN(CC)C(=O)CNc1ccncc1CO ZINC000892013889 582761080 /nfs/dbraw/zinc/76/10/80/582761080.db2.gz 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AQDFAMADWVBQFW-JTQLQIEISA-N 0 3 223.276 0.292 20 0 BCADHN COc1cncc(CNC[C@H]2COCO2)c1 ZINC000894884131 583546197 /nfs/dbraw/zinc/54/61/97/583546197.db2.gz CYHHWCZPPCXDAD-NSHDSACASA-N 0 3 224.260 0.553 20 0 BCADHN O=C(CN[C@@H]1CCC[C@]12CCCO2)NC1CC1 ZINC000880510692 583546205 /nfs/dbraw/zinc/54/62/05/583546205.db2.gz HCCBOSRGFXTZNP-YPMHNXCESA-N 0 3 238.331 0.956 20 0 BCADHN CCCn1nccc1CNC[C@H]1COCO1 ZINC000894889315 583548327 /nfs/dbraw/zinc/54/83/27/583548327.db2.gz NYRPZMFEZSPLHK-NSHDSACASA-N 0 3 225.292 0.756 20 0 BCADHN C[C@H](N)c1cn(Cc2cn(C(C)(C)C)nn2)nn1 ZINC000881362983 583551315 /nfs/dbraw/zinc/55/13/15/583551315.db2.gz GUIHODPQVXUPRP-QMMMGPOBSA-N 0 3 249.322 0.693 20 0 BCADHN Cc1cnc(CCNCc2c[nH]cn2)cn1 ZINC000894967453 583560460 /nfs/dbraw/zinc/56/04/60/583560460.db2.gz PLZPSSRRPACVLV-UHFFFAOYSA-N 0 3 217.276 0.840 20 0 BCADHN Cc1cnc(CCNCc2cnc[nH]2)cn1 ZINC000894967453 583560461 /nfs/dbraw/zinc/56/04/61/583560461.db2.gz PLZPSSRRPACVLV-UHFFFAOYSA-N 0 3 217.276 0.840 20 0 BCADHN O=C1[C@@H](NCc2cnc[nH]2)C[C@@H]2CCCCN12 ZINC000894970075 583560788 /nfs/dbraw/zinc/56/07/88/583560788.db2.gz VFJBNSATEYJIDJ-QWRGUYRKSA-N 0 3 234.303 0.653 20 0 BCADHN Cn1ncc(CN[C@@H]2CC[C@H]2O)c1C1CC1 ZINC000895012883 583568587 /nfs/dbraw/zinc/56/85/87/583568587.db2.gz MNDIPLBELLEBID-GHMZBOCLSA-N 0 3 221.304 0.910 20 0 BCADHN CON(C)C(=O)CN[C@H](C)[C@H]1CC1(F)F ZINC000895045698 583571634 /nfs/dbraw/zinc/57/16/34/583571634.db2.gz USPHVLSKFCFMOG-RNFRBKRXSA-N 0 3 222.235 0.640 20 0 BCADHN Cc1cc(CN[C@H](CO)CC2CC2)n(C)n1 ZINC000841870897 583580259 /nfs/dbraw/zinc/58/02/59/583580259.db2.gz YSEUBTMVSBRTTD-NSHDSACASA-N 0 3 223.320 0.979 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1COCC1(C)C ZINC000895086023 583584675 /nfs/dbraw/zinc/58/46/75/583584675.db2.gz PBMKRBKVOGSRAE-VIFPVBQESA-N 0 3 230.308 0.411 20 0 BCADHN CCN(OC)C(=O)CN[C@@H](C)COCCOC ZINC000895115702 583591835 /nfs/dbraw/zinc/59/18/35/583591835.db2.gz IVBKSWOYYDJLFK-JTQLQIEISA-N 0 3 248.323 0.037 20 0 BCADHN COC[C@H](CO)N[C@H]1CCCc2cn[nH]c21 ZINC000857865194 588914840 /nfs/dbraw/zinc/91/48/40/588914840.db2.gz MQUWOSNALGCPMB-UWVGGRQHSA-N 0 3 225.292 0.384 20 0 BCADHN CC[C@H](CN[C@H](C)COC(C)=O)C(=O)OC ZINC000895135199 583601799 /nfs/dbraw/zinc/60/17/99/583601799.db2.gz HUTRNQJANJYDJS-PSASIEDQSA-N 0 3 231.292 0.727 20 0 BCADHN C[C@H](NCC[C@@H]1CCOC1)C1N=NC(=O)N1C ZINC000895173549 583613376 /nfs/dbraw/zinc/61/33/76/583613376.db2.gz BAMFTJOHTIYIRL-DTWKUNHWSA-N 0 3 240.307 0.598 20 0 BCADHN C[C@@H](N[C@@H](C)C1CC1)C1N=NC(=O)N1C ZINC000895174707 583614863 /nfs/dbraw/zinc/61/48/63/583614863.db2.gz JLYSDLCHLBQTEN-NKWVEPMBSA-N 0 3 210.281 0.970 20 0 BCADHN COCC(C)(C)CN[C@H](C)C1N=NC(=O)N1C ZINC000895175958 583615649 /nfs/dbraw/zinc/61/56/49/583615649.db2.gz PSASSELNEHSKGX-MRVPVSSYSA-N 0 3 242.323 0.844 20 0 BCADHN COCC(C)(C)CN[C@H](C)c1n[nH]c(=O)n1C ZINC000895175958 583615650 /nfs/dbraw/zinc/61/56/50/583615650.db2.gz PSASSELNEHSKGX-MRVPVSSYSA-N 0 3 242.323 0.844 20 0 BCADHN C[C@H](N[C@H]1CCCOCC1)C1N=NC(=O)N1C ZINC000895176002 583615854 /nfs/dbraw/zinc/61/58/54/583615854.db2.gz LTNCWDFKOJRBES-IUCAKERBSA-N 0 3 240.307 0.740 20 0 BCADHN O=C1C[C@@H](CN[C@@H]2CCCc3c[nH]nc32)CN1 ZINC000857869106 588916642 /nfs/dbraw/zinc/91/66/42/588916642.db2.gz JUAUJCXHZYADCG-WCBMZHEXSA-N 0 3 234.303 0.513 20 0 BCADHN Nc1cc(N[C@H]2C[C@@H](O)[C@@H](O)C2)c(Cl)cn1 ZINC000895199443 583623999 /nfs/dbraw/zinc/62/39/99/583623999.db2.gz JYZHGXMVXKNVBR-VJXKYNNYSA-N 0 3 243.694 0.613 20 0 BCADHN CC(C)(C)OC(=O)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000857768684 588910940 /nfs/dbraw/zinc/91/09/40/588910940.db2.gz VOTSKNXPKXCQNU-YUMQZZPRSA-N 0 3 246.282 0.144 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)c1nccn1C ZINC000857773088 588911122 /nfs/dbraw/zinc/91/11/22/588911122.db2.gz IFLWODHPPREYBM-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN OC[C@H](CNCc1c[nH]cn1)CC1CC1 ZINC000895279998 583635980 /nfs/dbraw/zinc/63/59/80/583635980.db2.gz YVVUOIYBDAAWTK-JTQLQIEISA-N 0 3 209.293 0.908 20 0 BCADHN OC[C@H](CNCc1cnc[nH]1)CC1CC1 ZINC000895279998 583635981 /nfs/dbraw/zinc/63/59/81/583635981.db2.gz YVVUOIYBDAAWTK-JTQLQIEISA-N 0 3 209.293 0.908 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@@H]1CC(C)=NO1 ZINC000895302697 583644739 /nfs/dbraw/zinc/64/47/39/583644739.db2.gz UTSGJNBGKSGSBS-UKKRHICBSA-N 0 3 240.303 0.938 20 0 BCADHN CCC[C@@H](CN[C@@H]1C(=O)NCC1(C)C)OC ZINC000895319599 583649172 /nfs/dbraw/zinc/64/91/72/583649172.db2.gz DQLQRWFPKRIHPR-VHSXEESVSA-N 0 3 228.336 0.916 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1N[C@H]1CO[C@H](C2CC2)C1 ZINC000895321037 583649184 /nfs/dbraw/zinc/64/91/84/583649184.db2.gz JVEFISBLMTYSIW-VWYCJHECSA-N 0 3 238.331 0.668 20 0 BCADHN COC(=O)[C@@H]1[C@H](CNC2CSC2)C1(F)F ZINC000895319458 583649278 /nfs/dbraw/zinc/64/92/78/583649278.db2.gz XXIDMBBHNVOKCT-BQBZGAKWSA-N 0 3 237.271 0.746 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NCc1ccc(=O)[nH]c1 ZINC000895319519 583649370 /nfs/dbraw/zinc/64/93/70/583649370.db2.gz CQBOXVHEVUXHNF-SNVBAGLBSA-N 0 3 235.287 0.401 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000895321034 583649565 /nfs/dbraw/zinc/64/95/65/583649565.db2.gz JVEFISBLMTYSIW-AXFHLTTASA-N 0 3 238.331 0.668 20 0 BCADHN CC[C@@H](COC)N[C@H]1C(=O)NCC1(C)C ZINC000895322092 583649776 /nfs/dbraw/zinc/64/97/76/583649776.db2.gz BPCZOLAEBGGLTL-IUCAKERBSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@@]1(CO)C[C@H](O)CN1CC1=CCCOC1 ZINC000895327176 583650494 /nfs/dbraw/zinc/65/04/94/583650494.db2.gz AWJHCMCUFYTWHU-RYUDHWBXSA-N 0 3 227.304 0.151 20 0 BCADHN Cc1[nH]nc(CN2C[C@@H](O)C[C@]2(C)CO)c1C ZINC000895325148 583651063 /nfs/dbraw/zinc/65/10/63/583651063.db2.gz OJVDRUOPZRSGOH-CMPLNLGQSA-N 0 3 239.319 0.344 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H]1C(=O)NCC1(C)C ZINC000895326191 583651352 /nfs/dbraw/zinc/65/13/52/583651352.db2.gz VURYQNRPQUGJDP-YIZRAAEISA-N 0 3 214.309 0.524 20 0 BCADHN CC(=O)OC[C@H](C)NCCO[C@@H]1CC1(F)F ZINC000895356009 583658987 /nfs/dbraw/zinc/65/89/87/583658987.db2.gz CLHOLPQDOGMUKG-IONNQARKSA-N 0 3 237.246 0.952 20 0 BCADHN C[C@H](CCO)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000895369319 583661218 /nfs/dbraw/zinc/66/12/18/583661218.db2.gz PLISSULUQAOEEZ-BBBLOLIVSA-N 0 3 235.349 0.313 20 0 BCADHN COC(=O)[C@H]1[C@@H](CN[C@H]2C[C@H](OC)C2)C1(F)F ZINC000895414138 583666684 /nfs/dbraw/zinc/66/66/84/583666684.db2.gz KMIHKNHTGNKLNN-FNCVBFRFSA-N 0 3 249.257 0.808 20 0 BCADHN COC(=O)N(C)CCN[C@@H](C)COC(C)=O ZINC000895403400 583667544 /nfs/dbraw/zinc/66/75/44/583667544.db2.gz FGDUFJGDZAJUJF-QMMMGPOBSA-N 0 3 232.280 0.226 20 0 BCADHN CN1CCN(C(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC000895428731 583668710 /nfs/dbraw/zinc/66/87/10/583668710.db2.gz VILGPBPCHBQKCC-LLVKDONJSA-N 0 3 239.363 0.633 20 0 BCADHN CC(=O)OC[C@@H](C)NCCOCCF ZINC000895480697 583680035 /nfs/dbraw/zinc/68/00/35/583680035.db2.gz HIJXCAVKTQZFOC-MRVPVSSYSA-N 0 3 207.245 0.514 20 0 BCADHN COC(=O)/C(C)=C/CNc1cc(C)nc(N)n1 ZINC000895509961 583682129 /nfs/dbraw/zinc/68/21/29/583682129.db2.gz ZFUYWBDHZPNHKD-QPJJXVBHSA-N 0 3 236.275 0.898 20 0 BCADHN CCCONC(=O)NCCN1CC[C@@H](C)C1 ZINC000895515083 583682839 /nfs/dbraw/zinc/68/28/39/583682839.db2.gz BVHIVSFYCOJXAH-SNVBAGLBSA-N 0 3 229.324 0.969 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)NC2CCN(C)CC2)C1 ZINC000895522042 583686097 /nfs/dbraw/zinc/68/60/97/583686097.db2.gz PBKGBNCNTRSPAJ-ONGXEEELSA-N 0 3 226.320 0.622 20 0 BCADHN CCO[C@@]1(C)C[C@H]1NC1CC(S(C)(=O)=O)C1 ZINC000895595158 583695200 /nfs/dbraw/zinc/69/52/00/583695200.db2.gz JNUMPMABBDNKPI-LXKPXOPUSA-N 0 3 247.360 0.719 20 0 BCADHN CC(=O)OC[C@H](C)NCc1ccc[nH]c1=O ZINC000895654463 583701195 /nfs/dbraw/zinc/70/11/95/583701195.db2.gz IXGSBBJYLNQVFI-QMMMGPOBSA-N 0 3 224.260 0.828 20 0 BCADHN O=c1[nH]c2ccc(CN3C[C@@H]4C[C@]4(O)C3)cc2[nH]1 ZINC000895656460 583701609 /nfs/dbraw/zinc/70/16/09/583701609.db2.gz YSJUBKYMEXUPRD-ZANVPECISA-N 0 3 245.282 0.835 20 0 BCADHN COCCOC[C@@H](C)NCc1ccc[nH]c1=O ZINC000895655908 583701817 /nfs/dbraw/zinc/70/18/17/583701817.db2.gz WGDLHMCPVDPWMY-SNVBAGLBSA-N 0 3 240.303 0.928 20 0 BCADHN COCCOC[C@H](C)NCc1ccc[nH]c1=O ZINC000895655907 583701867 /nfs/dbraw/zinc/70/18/67/583701867.db2.gz WGDLHMCPVDPWMY-JTQLQIEISA-N 0 3 240.303 0.928 20 0 BCADHN CON(C)C(=O)[C@H](C)NC[C@H]1COC(C)(C)O1 ZINC000895664672 583702700 /nfs/dbraw/zinc/70/27/00/583702700.db2.gz BSTFFLJRAJPRJW-IUCAKERBSA-N 0 3 246.307 0.136 20 0 BCADHN CCN(C)C(=O)C1CN(C2CCOCC2)C1 ZINC000895665396 583705176 /nfs/dbraw/zinc/70/51/76/583705176.db2.gz JKRPADXXIHXISH-UHFFFAOYSA-N 0 3 226.320 0.576 20 0 BCADHN CO[C@]1(C(=O)NC[C@@H](C)N(C)C)CCSC1 ZINC000895682645 583708748 /nfs/dbraw/zinc/70/87/48/583708748.db2.gz VOQHDOPCKWRRLU-MWLCHTKSSA-N 0 3 246.376 0.575 20 0 BCADHN O[C@@H]1COC[C@@H]1NCCc1ccc(F)c(F)c1 ZINC000895699958 583709526 /nfs/dbraw/zinc/70/95/26/583709526.db2.gz OHXBKPMQNZRATM-NWDGAFQWSA-N 0 3 243.253 0.857 20 0 BCADHN Cc1nnc2cc(N[C@@H]3CCN(C)[C@H]3C)ncn12 ZINC000895740518 583714320 /nfs/dbraw/zinc/71/43/20/583714320.db2.gz OCJZQYKHEWQZCC-WCBMZHEXSA-N 0 3 246.318 0.937 20 0 BCADHN CO[C@@H](C)CNC(=O)NCCN1CC[C@@H](C)C1 ZINC000895742670 583714932 /nfs/dbraw/zinc/71/49/32/583714932.db2.gz ZIIMOKHDIQDYCS-MNOVXSKESA-N 0 3 243.351 0.662 20 0 BCADHN OC[C@H](C[C@H]1CCCO1)NCc1c[nH]cn1 ZINC000895746127 583716765 /nfs/dbraw/zinc/71/67/65/583716765.db2.gz CDLPCTJMESUERF-GXSJLCMTSA-N 0 3 225.292 0.429 20 0 BCADHN OC[C@H](C[C@H]1CCCO1)NCc1cnc[nH]1 ZINC000895746127 583716766 /nfs/dbraw/zinc/71/67/66/583716766.db2.gz CDLPCTJMESUERF-GXSJLCMTSA-N 0 3 225.292 0.429 20 0 BCADHN OC[C@H](C[C@H]1CCCO1)NC1CSC1 ZINC000895749237 583717433 /nfs/dbraw/zinc/71/74/33/583717433.db2.gz PXMNQRMDSGHEGF-WCBMZHEXSA-N 0 3 217.334 0.621 20 0 BCADHN C[C@@H]1[C@H](Nc2nccnc2C(N)=O)CCN1C ZINC000895735799 583717815 /nfs/dbraw/zinc/71/78/15/583717815.db2.gz FRNOBXFHCREOCY-HTQZYQBOSA-N 0 3 235.291 0.080 20 0 BCADHN C[C@@H]1[C@@H](Nc2cc(=O)n(C)cn2)CCN1C ZINC000895738082 583717842 /nfs/dbraw/zinc/71/78/42/583717842.db2.gz SWDPVBMSTRTWKO-BDAKNGLRSA-N 0 3 222.292 0.285 20 0 BCADHN Cc1nc2ccc(N[C@H]3CCN(C)[C@@H]3C)nn2n1 ZINC000895737149 583718184 /nfs/dbraw/zinc/71/81/84/583718184.db2.gz RTYHEUUOALZCFM-SCZZXKLOSA-N 0 3 246.318 0.937 20 0 BCADHN C[C@H]1[C@H](Nc2ncnc3c2nnn3C)CCN1C ZINC000895736244 583718390 /nfs/dbraw/zinc/71/83/90/583718390.db2.gz IHNRFYDDELABLG-JGVFFNPUSA-N 0 3 247.306 0.263 20 0 BCADHN C[C@@H]1[C@H](Nc2cnc(CO)cn2)CCN1C ZINC000895738032 583718507 /nfs/dbraw/zinc/71/85/07/583718507.db2.gz SHGSCWXTZUECDZ-PSASIEDQSA-N 0 3 222.292 0.473 20 0 BCADHN Cc1cc(N)nc(N[C@H]2CCN(C)[C@H]2C)n1 ZINC000895738500 583719360 /nfs/dbraw/zinc/71/93/60/583719360.db2.gz WUHJFFNMLJMJPI-IUCAKERBSA-N 0 3 221.308 0.872 20 0 BCADHN CN1CC[C@H]1CNc1ccncc1CO ZINC000895767246 583720111 /nfs/dbraw/zinc/72/01/11/583720111.db2.gz JHRNRHMEYUEGFZ-JTQLQIEISA-N 0 3 207.277 0.112 20 0 BCADHN CN1CC[C@H]1CNc1cccc2nncn21 ZINC000895768599 583723903 /nfs/dbraw/zinc/72/39/03/583723903.db2.gz FYKBXFZNNJIBGI-VIFPVBQESA-N 0 3 217.276 0.845 20 0 BCADHN CO[C@H]1CC[C@@H](N2CCc3cnc(N)nc3C2)C1 ZINC000857923717 588924232 /nfs/dbraw/zinc/92/42/32/588924232.db2.gz KYFNAHDYHPLSML-MNOVXSKESA-N 0 3 248.330 0.984 20 0 BCADHN COC(OC)[C@H](C)NC[C@@H](OC)[C@@H]1CCOC1 ZINC000895789199 583727660 /nfs/dbraw/zinc/72/76/60/583727660.db2.gz HZFSVCMTHOSEBZ-HBNTYKKESA-N 0 3 247.335 0.635 20 0 BCADHN COCCOC[C@H](C)N[C@@H](C)C(OC)OC ZINC000895787632 583727882 /nfs/dbraw/zinc/72/78/82/583727882.db2.gz UJHGWZMTYBYHRA-UWVGGRQHSA-N 0 3 235.324 0.635 20 0 BCADHN CN1CCC[C@@H]1C(=O)NCCNc1ccncc1 ZINC000895799567 583730708 /nfs/dbraw/zinc/73/07/08/583730708.db2.gz UNVBOWWDJZDVEU-GFCCVEGCSA-N 0 3 248.330 0.126 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)NCCNc2ccncc2)C1 ZINC000895798073 583730720 /nfs/dbraw/zinc/73/07/20/583730720.db2.gz ABYAXKRNGQKPOX-CMPLNLGQSA-N 0 3 249.314 0.457 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)NCCNc2ccncc2)C1 ZINC000895798074 583730968 /nfs/dbraw/zinc/73/09/68/583730968.db2.gz ABYAXKRNGQKPOX-JQWIXIFHSA-N 0 3 249.314 0.457 20 0 BCADHN CCc1cc(C(=O)NC[C@@H]2CCN(C)C2)no1 ZINC000895819715 583734109 /nfs/dbraw/zinc/73/41/09/583734109.db2.gz 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20 0 BCADHN CN1CC[C@H]1CNCc1ccc(Cl)nn1 ZINC000896595817 583816977 /nfs/dbraw/zinc/81/69/77/583816977.db2.gz PDQRCGYCKOOHHO-VIFPVBQESA-N 0 3 226.711 0.924 20 0 BCADHN C[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C)CCN1C ZINC000896667628 583821864 /nfs/dbraw/zinc/82/18/64/583821864.db2.gz JOVSNKZHUWBVRA-QJPTWQEYSA-N 0 3 239.363 0.680 20 0 BCADHN OCc1cnccc1N[C@H]1C[C@H](CO)C1 ZINC000896695453 583824413 /nfs/dbraw/zinc/82/44/13/583824413.db2.gz SOVKODRGCPZQBA-CZMCAQCFSA-N 0 3 208.261 0.179 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)c1csnn1 ZINC000728083555 583847481 /nfs/dbraw/zinc/84/74/81/583847481.db2.gz CNQZRWMOTUGRBK-QMMMGPOBSA-N 0 3 242.348 0.854 20 0 BCADHN CN(CCCO)[C@H]1Cc2ccccc2[C@@H]1O ZINC000281517447 583848490 /nfs/dbraw/zinc/84/84/90/583848490.db2.gz BQFUPXIKMKQAPS-STQMWFEESA-N 0 3 221.300 0.959 20 0 BCADHN CCCN(C)CC(=O)NCc1nc(C)c(C)[nH]1 ZINC000896920090 583857539 /nfs/dbraw/zinc/85/75/39/583857539.db2.gz IBHZAOOLWCRLSH-UHFFFAOYSA-N 0 3 238.335 0.985 20 0 BCADHN 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ZINC000897243006 583901381 /nfs/dbraw/zinc/90/13/81/583901381.db2.gz WXHFPOYYNQOZMV-UHFFFAOYSA-N 0 3 248.286 0.928 20 0 BCADHN O=CN1CCC([NH2+]Cc2cncc([O-])c2)CC1 ZINC000897315035 583918066 /nfs/dbraw/zinc/91/80/66/583918066.db2.gz GJTWLNQGSRVQFU-UHFFFAOYSA-N 0 3 235.287 0.498 20 0 BCADHN Cc1ccc(CNC[C@@H]2COCCN2C)nn1 ZINC000858278357 588941874 /nfs/dbraw/zinc/94/18/74/588941874.db2.gz WUUVQKVCDRMLOH-GFCCVEGCSA-N 0 3 236.319 0.205 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)[C@H](C)NC(=O)OC ZINC000870549684 583922583 /nfs/dbraw/zinc/92/25/83/583922583.db2.gz FRMDORJYYVWKFI-IUCAKERBSA-N 0 3 246.307 0.614 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)C[C@H]1COC(=O)C1 ZINC000870549935 583922596 /nfs/dbraw/zinc/92/25/96/583922596.db2.gz KPZLUNKCQHOJCY-VHSXEESVSA-N 0 3 243.303 0.823 20 0 BCADHN O[C@@H]1CCN(CCNCc2ccnc(F)c2)C1 ZINC000858297240 588942665 /nfs/dbraw/zinc/94/26/65/588942665.db2.gz CRZAPFMJGVUIQX-LLVKDONJSA-N 0 3 239.294 0.377 20 0 BCADHN O[C@@H]1COCC[C@H]1NCc1ccc(F)nc1 ZINC000858300079 588943124 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/nfs/dbraw/zinc/94/50/89/588945089.db2.gz CQCYDIHOWQPQFZ-GUBZILKMSA-N 0 3 230.308 0.552 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000858319432 588945127 /nfs/dbraw/zinc/94/51/27/588945127.db2.gz KBVVIZPRDNYUPY-AXTSPUMRSA-N 0 3 230.308 0.550 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000858319434 588945129 /nfs/dbraw/zinc/94/51/29/588945129.db2.gz KBVVIZPRDNYUPY-XFWSIPNHSA-N 0 3 230.308 0.550 20 0 BCADHN OCc1cc(NCCn2ccnc2)ccn1 ZINC000858319242 588945134 /nfs/dbraw/zinc/94/51/34/588945134.db2.gz YUAOLMDHEOCLQH-UHFFFAOYSA-N 0 3 218.260 0.883 20 0 BCADHN CN(C)C(=O)[C@@H]1CCCN1c1ccnc(CO)c1 ZINC000858329384 588946187 /nfs/dbraw/zinc/94/61/87/588946187.db2.gz ADWLPOINNFVUKW-LBPRGKRZSA-N 0 3 249.314 0.631 20 0 BCADHN CCNC(=O)[C@H](C)Nc1ccnc(CO)c1 ZINC000858323275 588945407 /nfs/dbraw/zinc/94/54/07/588945407.db2.gz FNDHOOIAPMSGCA-QMMMGPOBSA-N 0 3 223.276 0.510 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CCO[C@H]1C ZINC000858323369 588945506 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/nfs/dbraw/zinc/93/96/08/588939608.db2.gz ZYPZTFJKFVGTPC-UHFFFAOYSA-N 0 3 242.319 0.723 20 0 BCADHN O[C@@H](CNCc1ccoc1)[C@H]1CCCO1 ZINC000858228437 588939636 /nfs/dbraw/zinc/93/96/36/588939636.db2.gz ZZDSBVZXMSCISD-WDEREUQCSA-N 0 3 211.261 0.909 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)N2CC(F)C2)C1 ZINC000897445438 583985428 /nfs/dbraw/zinc/98/54/28/583985428.db2.gz HQKNRKYEMMCNMQ-SECBINFHSA-N 0 3 229.299 0.692 20 0 BCADHN C[C@H]1CCN(CCNC(=O)NC/C=C\CO)C1 ZINC000897464298 583988473 /nfs/dbraw/zinc/98/84/73/583988473.db2.gz GTTGIGXOPYXXES-QUCGXOGASA-N 0 3 241.335 0.176 20 0 BCADHN O[C@H]1CCN(CCNCc2ccoc2)C1 ZINC000858338605 588946910 /nfs/dbraw/zinc/94/69/10/588946910.db2.gz IIIBAGAGAWOEMX-NSHDSACASA-N 0 3 210.277 0.436 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)N1CCC1 ZINC000897473671 583991251 /nfs/dbraw/zinc/99/12/51/583991251.db2.gz BTOFTALETVMYGH-JTQLQIEISA-N 0 3 211.309 0.886 20 0 BCADHN C[C@@H](CO)N(C)C(=O)NCCN1CCC[C@H]1C ZINC000897490101 583994558 /nfs/dbraw/zinc/99/45/58/583994558.db2.gz BCRIBGBWAHXBKT-MNOVXSKESA-N 0 3 243.351 0.493 20 0 BCADHN Cn1nccc1CNc1ccnc(CO)c1 ZINC000858341887 588947504 /nfs/dbraw/zinc/94/75/04/588947504.db2.gz NCKYCNVZNSZPIP-UHFFFAOYSA-N 0 3 218.260 0.920 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)N1CC(CO)C1 ZINC000897498029 583997378 /nfs/dbraw/zinc/99/73/78/583997378.db2.gz HJZFDJAKJOYIRY-SNVBAGLBSA-N 0 3 241.335 0.104 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)N1CC[C@@H]1CO ZINC000897524358 584001479 /nfs/dbraw/zinc/00/14/79/584001479.db2.gz WAUIKFAUZFHDAW-WDEREUQCSA-N 0 3 241.335 0.247 20 0 BCADHN C[C@H](Nc1ccnc(CO)c1)c1nncn1C ZINC000858351728 588948250 /nfs/dbraw/zinc/94/82/50/588948250.db2.gz UXUKBNCGEMKBRR-QMMMGPOBSA-N 0 3 233.275 0.876 20 0 BCADHN CC(C)(CNc1ccnc(CO)c1)C(N)=O ZINC000858352863 588948431 /nfs/dbraw/zinc/94/84/31/588948431.db2.gz BDWHIUZFKAWLRO-UHFFFAOYSA-N 0 3 223.276 0.497 20 0 BCADHN C[C@H](CNCc1cn[nH]c1)N1CCN(C)CC1 ZINC000729683165 584022610 /nfs/dbraw/zinc/02/26/10/584022610.db2.gz KDKHBHBQBVGUBP-LLVKDONJSA-N 0 3 237.351 0.135 20 0 BCADHN COC(=O)N1CC(N[C@@H](C)[C@H]2CCCCO2)C1 ZINC000858382267 588950321 /nfs/dbraw/zinc/95/03/21/588950321.db2.gz VIMOWNITQJYACN-GXSJLCMTSA-N 0 3 242.319 0.984 20 0 BCADHN CC(C)(C)SCCNc1nc(N)nc(N)n1 ZINC000858387619 588950484 /nfs/dbraw/zinc/95/04/84/588950484.db2.gz MADXXBAVKVXIKN-UHFFFAOYSA-N 0 3 242.352 0.980 20 0 BCADHN NC(=O)[C@]12CCC[C@H]1CN(Cc1cncnc1)C2 ZINC000897624094 584032752 /nfs/dbraw/zinc/03/27/52/584032752.db2.gz SVODFUZJZZOBFI-AAEUAGOBSA-N 0 3 246.314 0.564 20 0 BCADHN CN(CCCO)C(=O)[C@H]1CCN1C(C)(C)C ZINC000897667691 584034984 /nfs/dbraw/zinc/03/49/84/584034984.db2.gz UODPTURWIHMOPC-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H]1CN(C[C@H]2COC(C)(C)O2)C[C@H]1O ZINC000897676327 584035820 /nfs/dbraw/zinc/03/58/20/584035820.db2.gz LIJALOMZIPIDMP-LPEHRKFASA-N 0 3 215.293 0.451 20 0 BCADHN C[C@H]1CN(Cc2cnc3c(cnn3C)c2)C[C@H]1O ZINC000897678575 584036526 /nfs/dbraw/zinc/03/65/26/584036526.db2.gz CFXQGODOZYTELG-JOYOIKCWSA-N 0 3 246.314 0.781 20 0 BCADHN Cc1ncc(CN2C[C@@H](C)[C@H](O)C2)n1C ZINC000897679935 584037001 /nfs/dbraw/zinc/03/70/01/584037001.db2.gz NFYHIPWAFJUWME-LDYMZIIASA-N 0 3 209.293 0.541 20 0 BCADHN Cc1ncc(CN2C[C@@H](C)[C@@H](O)C2)n1C ZINC000897679933 584037422 /nfs/dbraw/zinc/03/74/22/584037422.db2.gz NFYHIPWAFJUWME-KCJUWKMLSA-N 0 3 209.293 0.541 20 0 BCADHN Cc1nn(C)cc1CN1C[C@@H](C)[C@@H](O)C1 ZINC000897680454 584038008 /nfs/dbraw/zinc/03/80/08/584038008.db2.gz JZZYJHZWWVTQPM-KCJUWKMLSA-N 0 3 209.293 0.541 20 0 BCADHN C[C@H]1CN(Cc2ccc(=O)[nH]c2)C[C@H]1O ZINC000897680808 584038087 /nfs/dbraw/zinc/03/80/87/584038087.db2.gz WMSVHHXLXXPVPP-WCBMZHEXSA-N 0 3 208.261 0.600 20 0 BCADHN CSCC[C@H](C)Nc1nc(N)nc(N)n1 ZINC000858416145 588951435 /nfs/dbraw/zinc/95/14/35/588951435.db2.gz JJBMIRLDWZYVJW-YFKPBYRVSA-N 0 3 228.325 0.590 20 0 BCADHN CCc1nn(C)cc1CN1C[C@@H](C)[C@@H](O)C1 ZINC000897681304 584038908 /nfs/dbraw/zinc/03/89/08/584038908.db2.gz QRLSQGLXXBXIHB-SKDRFNHKSA-N 0 3 223.320 0.795 20 0 BCADHN Cc1cnn(C)c1CN1C[C@H](O)[C@@H](C)C1 ZINC000897681061 584039091 /nfs/dbraw/zinc/03/90/91/584039091.db2.gz YJFTXAUMVGGTFL-ONGXEEELSA-N 0 3 209.293 0.541 20 0 BCADHN COC(=O)c1cc(CN2C[C@H](C)[C@H](O)C2)c[nH]1 ZINC000897683369 584040339 /nfs/dbraw/zinc/04/03/39/584040339.db2.gz CJINZDNQDVUAMI-GZMMTYOYSA-N 0 3 238.287 0.614 20 0 BCADHN CCN(CCC(=O)NC)Cc1ccn(C)c1 ZINC000897710598 584042271 /nfs/dbraw/zinc/04/22/71/584042271.db2.gz YGTOVDXBCHASRJ-UHFFFAOYSA-N 0 3 223.320 0.983 20 0 BCADHN Cc1ccnn1CC(=O)NC[C@H](C)N(C)C ZINC000858411255 588952286 /nfs/dbraw/zinc/95/22/86/588952286.db2.gz GMZJYZYPPAJDAW-JTQLQIEISA-N 0 3 224.308 0.258 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897807887 584049644 /nfs/dbraw/zinc/04/96/44/584049644.db2.gz APFFXTXYBNGSHM-DMSSDXNTSA-N 0 3 225.288 0.703 20 0 BCADHN O=C1CCC(=O)N1CCNc1ccnc(CO)c1 ZINC000858410803 588952430 /nfs/dbraw/zinc/95/24/30/588952430.db2.gz AGWRLVBQHYOZQI-UHFFFAOYSA-N 0 3 249.270 0.135 20 0 BCADHN CN(Cc1ncc[nH]1)c1ccnc(CO)c1 ZINC000858413221 588952455 /nfs/dbraw/zinc/95/24/55/588952455.db2.gz DCLQGPJSGGFMAV-UHFFFAOYSA-N 0 3 218.260 0.933 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2CC[C@@H]3CN(C)C[C@H]32)C1 ZINC000897825432 584052205 /nfs/dbraw/zinc/05/22/05/584052205.db2.gz IBVDZRJOYSQMAT-QCNOEVLYSA-N 0 3 238.331 0.574 20 0 BCADHN C[C@]1(NCc2ccc3c[nH]nc3c2)CCNC1=O ZINC000897871288 584056134 /nfs/dbraw/zinc/05/61/34/584056134.db2.gz KSFYXFOZBOGNOU-ZDUSSCGKSA-N 0 3 244.298 0.931 20 0 BCADHN C[C@@H](N[C@H](CO)c1ccnn1C)C1CC1 ZINC000858434681 588954207 /nfs/dbraw/zinc/95/42/07/588954207.db2.gz MTMGCRMHLLULSR-PSASIEDQSA-N 0 3 209.293 0.842 20 0 BCADHN Cn1ccc(CNC2CC(CCO)C2)n1 ZINC000898008561 584070910 /nfs/dbraw/zinc/07/09/10/584070910.db2.gz PWCQHLHVWZGFBR-UHFFFAOYSA-N 0 3 209.293 0.671 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC1CC(CCO)C1 ZINC000898011064 584071724 /nfs/dbraw/zinc/07/17/24/584071724.db2.gz NMFGHMFWJIRONT-KPPDAEKUSA-N 0 3 249.376 0.560 20 0 BCADHN CC1(C)C(Nc2nc(N)nc(N)n2)C1(C)C ZINC000858434494 588954565 /nfs/dbraw/zinc/95/45/65/588954565.db2.gz IAWYKVMAPTXBAI-UHFFFAOYSA-N 0 3 222.296 0.883 20 0 BCADHN COc1nn(C)cc1CN[C@H]1CN(C)C[C@@H]1C ZINC000898029393 584077247 /nfs/dbraw/zinc/07/72/47/584077247.db2.gz QBQHLYRPGSGUBV-ONGXEEELSA-N 0 3 238.335 0.468 20 0 BCADHN COc1nn(C)cc1CN[C@@H]1CN(C)C[C@H]1C ZINC000898029392 584077543 /nfs/dbraw/zinc/07/75/43/584077543.db2.gz QBQHLYRPGSGUBV-MWLCHTKSSA-N 0 3 238.335 0.468 20 0 BCADHN Cn1nncc1CNCCN1CCC(C)(C)C1 ZINC000898035384 584079078 /nfs/dbraw/zinc/07/90/78/584079078.db2.gz RSFLVYLOPSDRML-UHFFFAOYSA-N 0 3 237.351 0.637 20 0 BCADHN CC[C@H]1C(=O)NCCN1c1ccnc(CO)c1 ZINC000858438436 588955099 /nfs/dbraw/zinc/95/50/99/588955099.db2.gz QIBSEGUTAALYKY-NSHDSACASA-N 0 3 235.287 0.289 20 0 BCADHN Cc1nn(C)cc1CNCC[C@@H](O)C1CC1 ZINC000898202845 584089591 /nfs/dbraw/zinc/08/95/91/584089591.db2.gz OHPSCAIPKNIEGL-GFCCVEGCSA-N 0 3 223.320 0.979 20 0 BCADHN Cn1cncc1CNCC[C@@H](O)C1CC1 ZINC000898206173 584091622 /nfs/dbraw/zinc/09/16/22/584091622.db2.gz MJKQBMWYYSAUEP-LLVKDONJSA-N 0 3 209.293 0.671 20 0 BCADHN CCn1nncc1CN[C@@H]1COC[C@H]1C1CC1 ZINC000898379706 584113365 /nfs/dbraw/zinc/11/33/65/584113365.db2.gz IFMWCPPHTWNWOX-NWDGAFQWSA-N 0 3 236.319 0.813 20 0 BCADHN c1n[nH]cc1CN[C@H]1COC[C@H]1C1CC1 ZINC000898377269 584113789 /nfs/dbraw/zinc/11/37/89/584113789.db2.gz SXPXMFFWSXJMFP-QWRGUYRKSA-N 0 3 207.277 0.924 20 0 BCADHN c1n[nH]cc1CN[C@@H]1COC[C@H]1C1CC1 ZINC000898377271 584113896 /nfs/dbraw/zinc/11/38/96/584113896.db2.gz SXPXMFFWSXJMFP-WDEREUQCSA-N 0 3 207.277 0.924 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1COC[C@H]1C1CC1 ZINC000898382562 584114303 /nfs/dbraw/zinc/11/43/03/584114303.db2.gz ZMKPZGYMACLMQI-DVVUODLYSA-N 0 3 247.360 0.434 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@H]2CCC(=O)O2)C1 ZINC000866270085 584117105 /nfs/dbraw/zinc/11/71/05/584117105.db2.gz JDPCJURNVGEWPL-VHSXEESVSA-N 0 3 240.303 0.150 20 0 BCADHN CN(C)CCNC(=S)N(C)[C@@H]1CCOC1 ZINC000730156861 584125415 /nfs/dbraw/zinc/12/54/15/584125415.db2.gz USGSEKZTTFMOJQ-SECBINFHSA-N 0 3 231.365 0.143 20 0 BCADHN OCCOCCCNc1ccnc(CO)c1 ZINC000858475409 588958837 /nfs/dbraw/zinc/95/88/37/588958837.db2.gz CCJXXJFLJPUVIH-UHFFFAOYSA-N 0 3 226.276 0.385 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)Cc1ccon1 ZINC000746259326 584129698 /nfs/dbraw/zinc/12/96/98/584129698.db2.gz LXLVKXSZDSOCTQ-LLVKDONJSA-N 0 3 239.319 0.920 20 0 BCADHN CC[C@H]1C(=O)NCCCN1C[C@H](C)COC ZINC000898558499 584141758 /nfs/dbraw/zinc/14/17/58/584141758.db2.gz RINAGDJBTRUHBQ-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN O=C(CCn1ccnc1)N1CC(N2CCCC2)C1 ZINC000898613437 584146133 /nfs/dbraw/zinc/14/61/33/584146133.db2.gz IGQNPHACLWXDFK-UHFFFAOYSA-N 0 3 248.330 0.580 20 0 BCADHN C[NH+](C)[C@@H]1C[C@H](NC(=O)c2c[n-]nn2)C12CCC2 ZINC000898845452 584160938 /nfs/dbraw/zinc/16/09/38/584160938.db2.gz MSAKIDDGQOGDRV-VHSXEESVSA-N 0 3 249.318 0.407 20 0 BCADHN C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cnn[n-]2)C12CCC2 ZINC000898845452 584160939 /nfs/dbraw/zinc/16/09/39/584160939.db2.gz MSAKIDDGQOGDRV-VHSXEESVSA-N 0 3 249.318 0.407 20 0 BCADHN C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cn[n-]n2)C12CCC2 ZINC000898845452 584160940 /nfs/dbraw/zinc/16/09/40/584160940.db2.gz MSAKIDDGQOGDRV-VHSXEESVSA-N 0 3 249.318 0.407 20 0 BCADHN C[C@@H](CCO)N[C@@H]1Cc2ccccc2NC1=O ZINC000858528985 588963314 /nfs/dbraw/zinc/96/33/14/588963314.db2.gz UUTUGIIMXXAPAI-JOYOIKCWSA-N 0 3 234.299 0.910 20 0 BCADHN Cc1oncc1-c1cnc(N2CCNCC2)cn1 ZINC000899323850 584196399 /nfs/dbraw/zinc/19/63/99/584196399.db2.gz RTRNYPKXXBWABY-UHFFFAOYSA-N 0 3 245.286 0.850 20 0 BCADHN OCCOc1cncc(C=C2CNC2)c1 ZINC000899327979 584197924 /nfs/dbraw/zinc/19/79/24/584197924.db2.gz KKWIYVBDUSLWRZ-UHFFFAOYSA-N 0 3 206.245 0.439 20 0 BCADHN Nc1ccc(-c2cnn3c2CNCC3)cc1CO ZINC000899325639 584197938 /nfs/dbraw/zinc/19/79/38/584197938.db2.gz YOSPHESDZWUKRF-UHFFFAOYSA-N 0 3 244.298 0.728 20 0 BCADHN C(=C1CNC1)c1cnc2c(c1)NCCO2 ZINC000899328877 584197992 /nfs/dbraw/zinc/19/79/92/584197992.db2.gz XUWIQPDTFAOJDT-UHFFFAOYSA-N 0 3 203.245 0.873 20 0 BCADHN C[C@@H]1[C@H](O)CCN1c1ccnc(CO)c1 ZINC000858563837 588966529 /nfs/dbraw/zinc/96/65/29/588966529.db2.gz XHPZRELMQBCILC-LDYMZIIASA-N 0 3 208.261 0.533 20 0 BCADHN CCO[C@@H](CNC(=S)NC)CN(C)C ZINC000899567691 584219918 /nfs/dbraw/zinc/21/99/18/584219918.db2.gz YZFCBAXGSOACKW-QMMMGPOBSA-N 0 3 219.354 0.047 20 0 BCADHN CCCNC(=S)NC[C@H](CN(C)C)OCC ZINC000899567405 584219969 /nfs/dbraw/zinc/21/99/69/584219969.db2.gz WTVOKQSVIKHLTB-SNVBAGLBSA-N 0 3 247.408 0.827 20 0 BCADHN CN(C)CCNC(=S)NCC[C@H](O)C1CC1 ZINC000899688022 584225055 /nfs/dbraw/zinc/22/50/55/584225055.db2.gz JRLBMVNPTUAMMJ-JTQLQIEISA-N 0 3 245.392 0.173 20 0 BCADHN CN(C)CCNC(=S)NCC[C@@H](O)C1CC1 ZINC000899688023 584225061 /nfs/dbraw/zinc/22/50/61/584225061.db2.gz JRLBMVNPTUAMMJ-SNVBAGLBSA-N 0 3 245.392 0.173 20 0 BCADHN CN1CCC(NCc2cn(C3CC3)nn2)CC1 ZINC000899714608 584228783 /nfs/dbraw/zinc/22/87/83/584228783.db2.gz VQAPGOMEAAHTNC-UHFFFAOYSA-N 0 3 235.335 0.797 20 0 BCADHN Cc1ccc(C(=O)NCCN(C)CCO)s1 ZINC000899726639 584230129 /nfs/dbraw/zinc/23/01/29/584230129.db2.gz SQEWFULSLVTAGQ-UHFFFAOYSA-N 0 3 242.344 0.710 20 0 BCADHN CN(CCO)CCNC(=O)CCc1ccco1 ZINC000899729456 584230607 /nfs/dbraw/zinc/23/06/07/584230607.db2.gz GUEXPWOMAXPENU-UHFFFAOYSA-N 0 3 240.303 0.253 20 0 BCADHN CN(CCO)CCNC(=O)CSC(C)(C)C ZINC000899729522 584230816 /nfs/dbraw/zinc/23/08/16/584230816.db2.gz JFGQPRFBIFTQRK-UHFFFAOYSA-N 0 3 248.392 0.558 20 0 BCADHN CCCC1(C(=O)NCCN(C)CCO)CC1 ZINC000899734650 584231300 /nfs/dbraw/zinc/23/13/00/584231300.db2.gz ONNLBQBRAJUGDE-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN COCCC[C@H](C)C(=O)NCCN(C)CCO ZINC000899736688 584231551 /nfs/dbraw/zinc/23/15/51/584231551.db2.gz PHTSUHSTWCGWSR-NSHDSACASA-N 0 3 246.351 0.089 20 0 BCADHN C[C@H]1CC[C@@H](C(=O)NCCN(C)CCO)C1 ZINC000899736523 584231816 /nfs/dbraw/zinc/23/18/16/584231816.db2.gz IPCJRXIAYLHMSX-WDEREUQCSA-N 0 3 228.336 0.463 20 0 BCADHN COCc1cn(CCN2CCCC2)nn1 ZINC000899731280 584231870 /nfs/dbraw/zinc/23/18/70/584231870.db2.gz XHCGAIOKVPNSAQ-UHFFFAOYSA-N 0 3 210.281 0.520 20 0 BCADHN CC(C)[C@@]1(C)C[C@H]1C(=O)NCCN(C)CCO ZINC000899737366 584232309 /nfs/dbraw/zinc/23/23/09/584232309.db2.gz HAPKTEVCTBMMCO-WCQYABFASA-N 0 3 242.363 0.709 20 0 BCADHN CC(C)[C@H]1C[C@@H]1C(=O)NCCN(C)CCO ZINC000899737446 584232485 /nfs/dbraw/zinc/23/24/85/584232485.db2.gz JRTFXZVVDGSKHN-MNOVXSKESA-N 0 3 228.336 0.319 20 0 BCADHN CN(CCO)CCNC(=O)C[C@@H]1C=CCCC1 ZINC000899737828 584233158 /nfs/dbraw/zinc/23/31/58/584233158.db2.gz QROUTPIVBZBIHP-GFCCVEGCSA-N 0 3 240.347 0.773 20 0 BCADHN CCC(C)(C)OCC(=O)NCCN(C)CCO ZINC000899738457 584233164 /nfs/dbraw/zinc/23/31/64/584233164.db2.gz BJYCMKLGHOCJSV-UHFFFAOYSA-N 0 3 246.351 0.232 20 0 BCADHN CN(CCO)CCNC(=O)c1sccc1F ZINC000899739194 584233590 /nfs/dbraw/zinc/23/35/90/584233590.db2.gz SIOORGSMCKRBAQ-UHFFFAOYSA-N 0 3 246.307 0.541 20 0 BCADHN CCC(F)(F)C(=O)NCCN(C)CCO ZINC000899740445 584233593 /nfs/dbraw/zinc/23/35/93/584233593.db2.gz CQSLDLWLULCENP-UHFFFAOYSA-N 0 3 224.251 0.072 20 0 BCADHN CN(CCO)CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000899741952 584234361 /nfs/dbraw/zinc/23/43/61/584234361.db2.gz XCRCTLQJKGXVQY-GHMZBOCLSA-N 0 3 242.363 0.709 20 0 BCADHN C[C@H](C(=O)NCCN(C)CCO)c1ccco1 ZINC000899733433 584234701 /nfs/dbraw/zinc/23/47/01/584234701.db2.gz BPCZUFNWTOIMKF-JTQLQIEISA-N 0 3 240.303 0.423 20 0 BCADHN C[C@@H](CC(=O)NCCN(C)CCO)C1CC1 ZINC000899732309 584235034 /nfs/dbraw/zinc/23/50/34/584235034.db2.gz HDDKPZYBBMXKRO-JTQLQIEISA-N 0 3 228.336 0.463 20 0 BCADHN CC(C)[C@H](C)C(=O)NCCN(C)CCO ZINC000899734276 584235481 /nfs/dbraw/zinc/23/54/81/584235481.db2.gz YOWVZOIDXCUSPP-JTQLQIEISA-N 0 3 216.325 0.319 20 0 BCADHN CN(CCO)CCNC(=O)C1C(C)(C)C1(C)C ZINC000899734359 584235509 /nfs/dbraw/zinc/23/55/09/584235509.db2.gz BLXVGSUSIGKNDB-UHFFFAOYSA-N 0 3 242.363 0.709 20 0 BCADHN CSC[C@@H](C)C(=O)NCCN(C)CCO ZINC000899734040 584235806 /nfs/dbraw/zinc/23/58/06/584235806.db2.gz RUOHLFRHOJJKSE-SECBINFHSA-N 0 3 234.365 0.026 20 0 BCADHN CN(CCO)CCNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000899734426 584235855 /nfs/dbraw/zinc/23/58/55/584235855.db2.gz FTQRWYXLVVQEOS-GDNZZTSVSA-N 0 3 240.347 0.463 20 0 BCADHN CC(C)(N)c1cn(-c2ncccn2)nn1 ZINC000899744911 584236817 /nfs/dbraw/zinc/23/68/17/584236817.db2.gz BPSBFDVTVCVLKA-UHFFFAOYSA-N 0 3 204.237 0.251 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H](C)[C@@H]1CCCO1 ZINC000858578163 588968371 /nfs/dbraw/zinc/96/83/71/588968371.db2.gz HILZRBMQIUXDAI-UTLUCORTSA-N 0 3 230.308 0.552 20 0 BCADHN CCn1cc(CN2CC[C@@H]3CN(C)C[C@@H]32)nn1 ZINC000899866176 584245517 /nfs/dbraw/zinc/24/55/17/584245517.db2.gz XIFTTZWZWWUBAI-PWSUYJOCSA-N 0 3 235.335 0.434 20 0 BCADHN CCOC[C@@H](C)N[C@@H](C)C(=O)N(C)OC ZINC000858579248 588968628 /nfs/dbraw/zinc/96/86/28/588968628.db2.gz PNQVOIVGVLIACR-BDAKNGLRSA-N 0 3 218.297 0.409 20 0 BCADHN COCCC1(C)CN(C[C@@H](O)C2(O)CCC2)C1 ZINC000899885133 584246743 /nfs/dbraw/zinc/24/67/43/584246743.db2.gz HNKKELCMCRNQAF-LLVKDONJSA-N 0 3 243.347 0.621 20 0 BCADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)C(=O)N(C)OC ZINC000858580268 588968766 /nfs/dbraw/zinc/96/87/66/588968766.db2.gz XXDVPKQTRSEABX-VGMNWLOBSA-N 0 3 218.297 0.408 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1COC(C)(C)C1 ZINC000858580787 588968968 /nfs/dbraw/zinc/96/89/68/588968968.db2.gz WMUZWLBHIDNVKO-DTWKUNHWSA-N 0 3 230.308 0.552 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1CCCOC1 ZINC000858580285 588969016 /nfs/dbraw/zinc/96/90/16/588969016.db2.gz YALQJFJYGFUQSI-IUCAKERBSA-N 0 3 216.281 0.163 20 0 BCADHN CC[C@@H](O)[C@H](C)C(=O)NCCN(C)C ZINC000899920384 584252250 /nfs/dbraw/zinc/25/22/50/584252250.db2.gz NMIQFLGFXYLJFH-DTWKUNHWSA-N 0 3 202.298 0.071 20 0 BCADHN CCC/C=C\[C@@H](O)C(=O)NCCN(C)C ZINC000899919642 584252279 /nfs/dbraw/zinc/25/22/79/584252279.db2.gz DFQVUGOHVQDIFX-JYESYGNLSA-N 0 3 214.309 0.381 20 0 BCADHN CN1CCCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000899936150 584257713 /nfs/dbraw/zinc/25/77/13/584257713.db2.gz UHYQRJVUMUGXRV-UHFFFAOYSA-N 0 3 222.292 0.116 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H](C)[C@@H]1CCCO1 ZINC000858586824 588969732 /nfs/dbraw/zinc/96/97/32/588969732.db2.gz HILZRBMQIUXDAI-AEJSXWLSSA-N 0 3 230.308 0.552 20 0 BCADHN CCN1CCC(NC(=O)c2n[nH]cc2F)CC1 ZINC000900008897 584264858 /nfs/dbraw/zinc/26/48/58/584264858.db2.gz DDNYRBMKGPIVIY-UHFFFAOYSA-N 0 3 240.282 0.763 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H](C)[C@H]1CCCCO1 ZINC000858588833 588970095 /nfs/dbraw/zinc/97/00/95/588970095.db2.gz RDPGQIHGZVJPJQ-HBNTYKKESA-N 0 3 244.335 0.942 20 0 BCADHN Cc1ncc(C(=O)NCCN2CCCC2)n1C ZINC000900010977 584265866 /nfs/dbraw/zinc/26/58/66/584265866.db2.gz GXHXLBHRGADPRT-UHFFFAOYSA-N 0 3 236.319 0.554 20 0 BCADHN C[C@H]1CO[C@H](C(=O)NCCN2CCCC2)C1 ZINC000900011627 584265993 /nfs/dbraw/zinc/26/59/93/584265993.db2.gz XHBZPYLXCZRDCU-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN OCc1cc(NCC[C@]2(O)CCOC2)ccn1 ZINC000858604553 588970840 /nfs/dbraw/zinc/97/08/40/588970840.db2.gz HWNJVTHYUHGUTB-LBPRGKRZSA-N 0 3 238.287 0.527 20 0 BCADHN CC(C)N(C)C(=O)C[C@]1(O)CCCN(C)C1 ZINC000900121299 584275301 /nfs/dbraw/zinc/27/53/01/584275301.db2.gz WRHRVRYBPQPMAA-GFCCVEGCSA-N 0 3 228.336 0.700 20 0 BCADHN C=CC(=O)N(CC)CC(=O)NC[C@H](C)N(C)C ZINC000900162882 584281152 /nfs/dbraw/zinc/28/11/52/584281152.db2.gz KFRNEKCAWVPISX-JTQLQIEISA-N 0 3 241.335 0.087 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)NC[C@@H](C)N(C)C ZINC000900164283 584281796 /nfs/dbraw/zinc/28/17/96/584281796.db2.gz YGXJCQKCTHEKCH-BBBLOLIVSA-N 0 3 216.325 0.460 20 0 BCADHN C[C@@H](CNC(=O)c1ccn2nccc2n1)N(C)C ZINC000900163840 584281885 /nfs/dbraw/zinc/28/18/85/584281885.db2.gz UCBRJLYJWKTBTP-VIFPVBQESA-N 0 3 247.302 0.409 20 0 BCADHN C/C=C\[C@H](O)C(=O)NCCN1CCCC[C@@H]1C ZINC000900209368 584286708 /nfs/dbraw/zinc/28/67/08/584286708.db2.gz QKDGVOQXYWVCEK-QGILPKKRSA-N 0 3 240.347 0.914 20 0 BCADHN O=C(NCc1nccs1)C12CCN(CC1)C2 ZINC000900226919 584288758 /nfs/dbraw/zinc/28/87/58/584288758.db2.gz JOMRBCOGRZKHNT-UHFFFAOYSA-N 0 3 237.328 0.855 20 0 BCADHN CN(CCNC(=O)Cc1c[nH]cn1)C1CC1 ZINC000900368033 584297403 /nfs/dbraw/zinc/29/74/03/584297403.db2.gz ZBKQRCGXFVWLKK-UHFFFAOYSA-N 0 3 222.292 0.163 20 0 BCADHN C/C=C/[C@H](O)C(=O)NCCN(C)C1CC1 ZINC000900368012 584297558 /nfs/dbraw/zinc/29/75/58/584297558.db2.gz YGTKTXDZMJJLHV-FSIBCCDJSA-N 0 3 212.293 0.134 20 0 BCADHN CCCN(C)C(=O)c1ccnn1CCN(C)C ZINC000900426546 584307894 /nfs/dbraw/zinc/30/78/94/584307894.db2.gz DRYSHEJGGOMBQK-UHFFFAOYSA-N 0 3 238.335 0.927 20 0 BCADHN CN(C)CCn1ccc(NC(=O)CCF)n1 ZINC000900440333 584311231 /nfs/dbraw/zinc/31/12/31/584311231.db2.gz FEWSRZBTJXFLHL-UHFFFAOYSA-N 0 3 228.271 0.743 20 0 BCADHN C/C=C/[C@H](O)C(=O)N1CCC[C@H]1CN(C)C ZINC000900523598 584318311 /nfs/dbraw/zinc/31/83/11/584318311.db2.gz TVRJHHZUJAPPTA-LJRGRFNSSA-N 0 3 226.320 0.476 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000900523200 584318368 /nfs/dbraw/zinc/31/83/68/584318368.db2.gz NRCWRLXENRKVBU-WOPDTQHZSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000900525871 584319015 /nfs/dbraw/zinc/31/90/15/584319015.db2.gz AJFJRRSEXFIKHO-WOPDTQHZSA-N 0 3 242.363 0.946 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2n[nH]cc2F)C1 ZINC000900526520 584320218 /nfs/dbraw/zinc/32/02/18/584320218.db2.gz DERQDBDXJLHDTO-QMMMGPOBSA-N 0 3 240.282 0.715 20 0 BCADHN COCCN(C)CCNC(=O)/C=C(\C)Cl ZINC000900516303 584321018 /nfs/dbraw/zinc/32/10/18/584321018.db2.gz AMEDWZYAYDOGIZ-CMDGGOBGSA-N 0 3 234.727 0.823 20 0 BCADHN CCN(CCNC(=O)CCF)C1CC1 ZINC000900553848 584322299 /nfs/dbraw/zinc/32/22/99/584322299.db2.gz QPLZSRGYVANNEU-UHFFFAOYSA-N 0 3 202.273 0.947 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)NCCN(CC)C1CC1 ZINC000900552530 584322390 /nfs/dbraw/zinc/32/23/90/584322390.db2.gz HISBWWBAOKAYGX-JQWIXIFHSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H]1CN(C(=O)C23CCN(CC2)C3)CCCO1 ZINC000900528854 584323049 /nfs/dbraw/zinc/32/30/49/584323049.db2.gz SSMLRFFJNZBWHQ-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN CN(CC(F)F)C(=O)C12CCN(CC1)C2 ZINC000900566650 584326456 /nfs/dbraw/zinc/32/64/56/584326456.db2.gz WDLRWUBZPVPHBV-UHFFFAOYSA-N 0 3 218.247 0.806 20 0 BCADHN Cc1cc(NC[C@H](O)[C@@H]2CCCO2)nc(N)n1 ZINC000858690675 588974699 /nfs/dbraw/zinc/97/46/99/588974699.db2.gz SINCRTRKEFWYAO-IUCAKERBSA-N 0 3 238.291 0.319 20 0 BCADHN CN1CCC[C@H](NC(=O)CNc2ccccn2)C1 ZINC000900589550 584328970 /nfs/dbraw/zinc/32/89/70/584328970.db2.gz KWKLPHWYUHHMDH-NSHDSACASA-N 0 3 248.330 0.704 20 0 BCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCF ZINC000900585055 584331705 /nfs/dbraw/zinc/33/17/05/584331705.db2.gz HFEOFSKASDRVOY-NSHDSACASA-N 0 3 246.326 0.915 20 0 BCADHN COC/C(C)=C\Cn1cc([C@H](C)N)nn1 ZINC000900642370 584332611 /nfs/dbraw/zinc/33/26/11/584332611.db2.gz HRQVNRUPTFYDHT-OTOXVQDCSA-N 0 3 210.281 0.891 20 0 BCADHN CCOCCN(CC)C(=O)C12CCN(CC1)C2 ZINC000900619675 584332798 /nfs/dbraw/zinc/33/27/98/584332798.db2.gz VGRRXTLTKCXDTR-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN COCCN1CC[C@H](NC(=O)/C=C(/C)Cl)C1 ZINC000900623137 584332821 /nfs/dbraw/zinc/33/28/21/584332821.db2.gz JOAFEJVQYYOENQ-RNKPRXRFSA-N 0 3 246.738 0.966 20 0 BCADHN CCn1cc(Cn2cc([C@H](N)C(C)C)nn2)nn1 ZINC000900629716 584333576 /nfs/dbraw/zinc/33/35/76/584333576.db2.gz XKXGDGOZVYIEJI-LLVKDONJSA-N 0 3 249.322 0.594 20 0 BCADHN C/C=C/[C@@H](O)C(=O)N1CCCN(CC)CC1 ZINC000900632885 584333955 /nfs/dbraw/zinc/33/39/55/584333955.db2.gz KOZRVYYQBZNJNN-ZXCPCRMDSA-N 0 3 226.320 0.478 20 0 BCADHN C/C=C\[C@@H](O)C(=O)N1CCCN(CC)CC1 ZINC000900632883 584334014 /nfs/dbraw/zinc/33/40/14/584334014.db2.gz KOZRVYYQBZNJNN-ZTYXWKCZSA-N 0 3 226.320 0.478 20 0 BCADHN C/C=C/[C@H](O)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000900662480 584337500 /nfs/dbraw/zinc/33/75/00/584337500.db2.gz ONQIFTGKOGYPJW-LXYZTQFVSA-N 0 3 238.331 0.476 20 0 BCADHN C/C=C\[C@H](O)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000900665682 584337685 /nfs/dbraw/zinc/33/76/85/584337685.db2.gz QZHWTBYJWIDMST-BKGLOODYSA-N 0 3 238.331 0.619 20 0 BCADHN C/C=C\[C@H](O)C(=O)NC[C@@H]1CCCN1C ZINC000900696550 584338726 /nfs/dbraw/zinc/33/87/26/584338726.db2.gz ZYESEJVTUCWOQV-XMWDXMLXSA-N 0 3 212.293 0.134 20 0 BCADHN CCC/C=C/[C@H](O)C(=O)NC[C@@H]1CCCN1C ZINC000900696481 584338786 /nfs/dbraw/zinc/33/87/86/584338786.db2.gz ZDLGPMDSZWBBAQ-LHXDFBSTSA-N 0 3 240.347 0.914 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)/C=C/Cn1cncn1 ZINC000900695880 584339043 /nfs/dbraw/zinc/33/90/43/584339043.db2.gz RNLAJVVLTGNFLW-JOAKQRRISA-N 0 3 249.318 0.045 20 0 BCADHN C[C@@H](CNC(=O)Cc1cnc[nH]1)Cn1ccnc1 ZINC000900786834 584351544 /nfs/dbraw/zinc/35/15/44/584351544.db2.gz NWSVTJJRRWQXQU-JTQLQIEISA-N 0 3 247.302 0.601 20 0 BCADHN C/C=C\[C@H](O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000900833376 584355490 /nfs/dbraw/zinc/35/54/90/584355490.db2.gz VUIXCQNPWMOMPI-WPSJUAOZSA-N 0 3 226.320 0.522 20 0 BCADHN C/C=C\[C@H](O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000900833373 584355726 /nfs/dbraw/zinc/35/57/26/584355726.db2.gz VUIXCQNPWMOMPI-OFOQJXSYSA-N 0 3 226.320 0.522 20 0 BCADHN C/C=C\[C@@H](O)C(=O)NCCN(C)CCCOC ZINC000900836499 584358910 /nfs/dbraw/zinc/35/89/10/584358910.db2.gz OMLYNMLJLFBLDB-VLWUPBBWSA-N 0 3 244.335 0.008 20 0 BCADHN O=C(N[C@@H]1CCSC1)C12CCN(CC1)C2 ZINC000900869551 584363818 /nfs/dbraw/zinc/36/38/18/584363818.db2.gz XGAGRODMPOADNH-SECBINFHSA-N 0 3 226.345 0.704 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@@H]2C[C@H](C)CO2)C1 ZINC000900911955 584364878 /nfs/dbraw/zinc/36/48/78/584364878.db2.gz FHIHYXWIZNPLHG-WOPDTQHZSA-N 0 3 240.347 0.869 20 0 BCADHN C=CC(=O)N(CC)CC(=O)N(C)CCN(C)C ZINC000900926990 584366743 /nfs/dbraw/zinc/36/67/43/584366743.db2.gz LMKBYCXDOBMSAW-UHFFFAOYSA-N 0 3 241.335 0.041 20 0 BCADHN NC(=O)c1cc(NC(=O)C23CCN(CC2)C3)c[nH]1 ZINC000901014169 584374242 /nfs/dbraw/zinc/37/42/42/584374242.db2.gz RCMMIZXFQIBMKX-UHFFFAOYSA-N 0 3 248.286 0.148 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)CN1C1CC1 ZINC000900995152 584374872 /nfs/dbraw/zinc/37/48/72/584374872.db2.gz KKHXNMVBZMCTGF-GXSJLCMTSA-N 0 3 248.330 0.694 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000900993069 584374914 /nfs/dbraw/zinc/37/49/14/584374914.db2.gz BAUJYQVTZXGTPT-CBUGNLOUSA-N 0 3 238.331 0.665 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)Cc2c[nH]cn2)CN1C1CC1 ZINC000900995153 584375376 /nfs/dbraw/zinc/37/53/76/584375376.db2.gz KKHXNMVBZMCTGF-KOLCDFICSA-N 0 3 248.330 0.694 20 0 BCADHN O=C(NC1CC=CC1)C12CCN(CC1)C2 ZINC000901049926 584378399 /nfs/dbraw/zinc/37/83/99/584378399.db2.gz GWXWRSSLKLNSTD-UHFFFAOYSA-N 0 3 206.289 0.917 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)[C@H](CC)N(C)C ZINC000901073608 584381385 /nfs/dbraw/zinc/38/13/85/584381385.db2.gz VVPMGLXPCKWLIQ-VWYCJHECSA-N 0 3 230.352 0.850 20 0 BCADHN CN(CCCn1ccnc1)C(=O)Cc1c[nH]cn1 ZINC000901120052 584386311 /nfs/dbraw/zinc/38/63/11/584386311.db2.gz WSLAYCXHQRXDPX-UHFFFAOYSA-N 0 3 247.302 0.697 20 0 BCADHN CC[C@@H](C(=O)N1CCO[C@@H](C)[C@H]1C)N(C)C ZINC000901102080 584388087 /nfs/dbraw/zinc/38/80/87/584388087.db2.gz PMYLYLQBGIFFKN-VWYCJHECSA-N 0 3 228.336 0.962 20 0 BCADHN CC[C@@H](C(=O)N1CCO[C@H](C)[C@H]1C)N(C)C ZINC000901102079 584388169 /nfs/dbraw/zinc/38/81/69/584388169.db2.gz PMYLYLQBGIFFKN-MXWKQRLJSA-N 0 3 228.336 0.962 20 0 BCADHN COC[C@H](NC(=O)C12CCN(CC1)C2)C1CC1 ZINC000901180061 584392069 /nfs/dbraw/zinc/39/20/69/584392069.db2.gz XKIJINDYUPKUAY-NSHDSACASA-N 0 3 238.331 0.623 20 0 BCADHN CS[C@H]1CN(C(=O)CCF)C[C@H]1N(C)C ZINC000901231985 584404217 /nfs/dbraw/zinc/40/42/17/584404217.db2.gz YXXBIAIBCJMWBU-BDAKNGLRSA-N 0 3 234.340 0.850 20 0 BCADHN CS[C@@H]1CN(C(=O)CCF)C[C@@H]1N(C)C ZINC000901231986 584404409 /nfs/dbraw/zinc/40/44/09/584404409.db2.gz YXXBIAIBCJMWBU-DTWKUNHWSA-N 0 3 234.340 0.850 20 0 BCADHN Cc1ncc(C(=O)NCC2=CCN(C)CC2)n1C ZINC000901330088 584424438 /nfs/dbraw/zinc/42/44/38/584424438.db2.gz LQWAUOTWYUSUIQ-UHFFFAOYSA-N 0 3 248.330 0.720 20 0 BCADHN C[C@@H]1CCOCCN1C(=O)C12CCN(CC1)C2 ZINC000901330462 584424489 /nfs/dbraw/zinc/42/44/89/584424489.db2.gz RKGFRNUZSDWTDM-LLVKDONJSA-N 0 3 238.331 0.720 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)NCC1=CCN(C)CC1 ZINC000901330683 584424756 /nfs/dbraw/zinc/42/47/56/584424756.db2.gz PZJDHSHASIJEEM-JQWIXIFHSA-N 0 3 240.347 0.772 20 0 BCADHN CN(C)CCn1nccc1C(=O)N1CC=CCC1 ZINC000901361501 584432630 /nfs/dbraw/zinc/43/26/30/584432630.db2.gz OJOBFKSDFKOUEJ-UHFFFAOYSA-N 0 3 248.330 0.847 20 0 BCADHN COC[C@H](N)Cc1cc(-c2csnn2)no1 ZINC000901404664 584439341 /nfs/dbraw/zinc/43/93/41/584439341.db2.gz LMHRTVAFYUYPME-ZCFIWIBFSA-N 0 3 240.288 0.709 20 0 BCADHN COCCN1CCC[C@@H]1CNC(=O)OCCF ZINC000858939204 588985573 /nfs/dbraw/zinc/98/55/73/588985573.db2.gz ULQNVPZCQWSWDS-SNVBAGLBSA-N 0 3 248.298 0.793 20 0 BCADHN CN1CC[C@H](Cc2nc(Cn3cccn3)no2)C1 ZINC000901945544 584506826 /nfs/dbraw/zinc/50/68/26/584506826.db2.gz XMQPDRRVJCRMHK-SNVBAGLBSA-N 0 3 247.302 0.809 20 0 BCADHN Cn1cc(-c2noc(C[C@@H]3CCN(C)C3)n2)cn1 ZINC000901923900 584506918 /nfs/dbraw/zinc/50/69/18/584506918.db2.gz UAFGCDIDCSORFF-VIFPVBQESA-N 0 3 247.302 0.964 20 0 BCADHN CCCOC(=O)NCCCN1CCC(O)CC1 ZINC000859003195 588990129 /nfs/dbraw/zinc/99/01/29/588990129.db2.gz NLWBKMZCKUXBIY-UHFFFAOYSA-N 0 3 244.335 0.969 20 0 BCADHN CCn1cc(CNC[C@@H](C)Cn2cccn2)nn1 ZINC000902077521 584520830 /nfs/dbraw/zinc/52/08/30/584520830.db2.gz WGYOQEMAFCIEFD-LLVKDONJSA-N 0 3 248.334 0.920 20 0 BCADHN CC(C)OCC(=N)NOCc1nncs1 ZINC000902220668 584540291 /nfs/dbraw/zinc/54/02/91/584540291.db2.gz HVJUJTBTHYVVNL-UHFFFAOYSA-N 0 3 230.293 0.962 20 0 BCADHN O=C1[C@@H]2C[C@@H]2CN1CN1C[C@@H]2CSC[C@@H]2C1 ZINC000902373284 584566663 /nfs/dbraw/zinc/56/66/63/584566663.db2.gz BYNNMSUXEONGNA-CHWFTXMASA-N 0 3 238.356 0.717 20 0 BCADHN C[C@@H]1C[C@H](NCCCON)c2nccn21 ZINC000902415757 584589405 /nfs/dbraw/zinc/58/94/05/584589405.db2.gz QDCNSOBRCRDFRY-BDAKNGLRSA-N 0 3 210.281 0.759 20 0 BCADHN C[C@H]1C[C@H](NCCCON)c2nccn21 ZINC000902415759 584589583 /nfs/dbraw/zinc/58/95/83/584589583.db2.gz QDCNSOBRCRDFRY-IUCAKERBSA-N 0 3 210.281 0.759 20 0 BCADHN C[C@@H]1C[C@@H](NCCCON)c2nccn21 ZINC000902415760 584589665 /nfs/dbraw/zinc/58/96/65/584589665.db2.gz QDCNSOBRCRDFRY-RKDXNWHRSA-N 0 3 210.281 0.759 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1cnccc1N ZINC000902513757 584619248 /nfs/dbraw/zinc/61/92/48/584619248.db2.gz HZANSLIONIIUAH-IUCAKERBSA-N 0 3 225.292 0.152 20 0 BCADHN CN1CCC(NCc2csc(N)n2)CC1 ZINC000902486705 584626047 /nfs/dbraw/zinc/62/60/47/584626047.db2.gz BCOZXHBVLQBUFK-UHFFFAOYSA-N 0 3 226.349 0.909 20 0 BCADHN COc1ccc(CNCCOCCN(C)C)o1 ZINC000902487600 584626745 /nfs/dbraw/zinc/62/67/45/584626745.db2.gz KKPXMKPDGREODE-UHFFFAOYSA-N 0 3 242.319 0.956 20 0 BCADHN C[C@H]1CN(C)C[C@H]1NCc1csc(N)n1 ZINC000902488491 584626995 /nfs/dbraw/zinc/62/69/95/584626995.db2.gz HCTZTFGVHGZWRH-IONNQARKSA-N 0 3 226.349 0.765 20 0 BCADHN Cn1cc(CNC[C@](C)(O)CO)c(C2CC2)n1 ZINC000902537835 584628477 /nfs/dbraw/zinc/62/84/77/584628477.db2.gz DUTFRYSXFDCFEC-LBPRGKRZSA-N 0 3 239.319 0.130 20 0 BCADHN C[C@@](O)(CO)CNCc1cn2ccnc2s1 ZINC000902541244 584628873 /nfs/dbraw/zinc/62/88/73/584628873.db2.gz RCRCUIHGJIUIQC-JTQLQIEISA-N 0 3 241.316 0.229 20 0 BCADHN CNc1ccccc1CN[C@@H](CO)COC ZINC000902532493 584633233 /nfs/dbraw/zinc/63/32/33/584633233.db2.gz IHOYIZGKYSAIBM-NSHDSACASA-N 0 3 224.304 0.825 20 0 BCADHN CNc1ccc(C)cc1CNC[C@H](O)CO ZINC000902532867 584633433 /nfs/dbraw/zinc/63/34/33/584633433.db2.gz NIZIMEOBJMXRKX-NSHDSACASA-N 0 3 224.304 0.480 20 0 BCADHN CN1CC=C(CNC(=O)OCCF)CC1 ZINC000859098218 589001420 /nfs/dbraw/zinc/00/14/20/589001420.db2.gz XEYLGEDYIYLCQV-UHFFFAOYSA-N 0 3 216.256 0.944 20 0 BCADHN CCn1cnc(CNC[C@H]2CCN2C)c1 ZINC000902654307 584649590 /nfs/dbraw/zinc/64/95/90/584649590.db2.gz KYYNGXKHDSAOQO-LLVKDONJSA-N 0 3 208.309 0.697 20 0 BCADHN CCn1cnc(CNC[C@H]2C[C@H](O)C2)c1 ZINC000902640455 584649688 /nfs/dbraw/zinc/64/96/88/584649688.db2.gz ADNAJGXGMPDCMH-HOMQSWHASA-N 0 3 209.293 0.764 20 0 BCADHN COc1nn(C)cc1CNCC1(C)COC1 ZINC000902695924 584656889 /nfs/dbraw/zinc/65/68/89/584656889.db2.gz RKKJCKKJNAKKCR-UHFFFAOYSA-N 0 3 225.292 0.555 20 0 BCADHN CCc1noc(C(=O)NCC2(N(C)C)CC2)n1 ZINC000902693471 584657016 /nfs/dbraw/zinc/65/70/16/584657016.db2.gz WRCBJPHESODIHV-UHFFFAOYSA-N 0 3 238.291 0.456 20 0 BCADHN CN(C)Cc1ccccc1CNC(=O)CCO ZINC000902785037 584666203 /nfs/dbraw/zinc/66/62/03/584666203.db2.gz NBPNCMGJKIPNGK-UHFFFAOYSA-N 0 3 236.315 0.747 20 0 BCADHN C[C@H](CNC(=O)CCO)N1CCCC[C@H]1C ZINC000902799470 584675133 /nfs/dbraw/zinc/67/51/33/584675133.db2.gz JYWIYOBQZQFGBI-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)OC1COC1 ZINC000902852257 584678194 /nfs/dbraw/zinc/67/81/94/584678194.db2.gz OWSMMEIMFJMBMR-SNVBAGLBSA-N 0 3 240.303 0.596 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)CCO)CN1C1CC1 ZINC000902898352 584687127 /nfs/dbraw/zinc/68/71/27/584687127.db2.gz ZKRIHAWWGVJCQO-DTWKUNHWSA-N 0 3 212.293 0.110 20 0 BCADHN C[C@@H](NC(=O)CCO)C1=CCN(C)CC1 ZINC000902921432 584692939 /nfs/dbraw/zinc/69/29/39/584692939.db2.gz VXQJJRFOKVCHPI-SECBINFHSA-N 0 3 212.293 0.135 20 0 BCADHN CN(C)C1(CN(C)C(=O)CCO)CCC1 ZINC000902924344 584697151 /nfs/dbraw/zinc/69/71/51/584697151.db2.gz IJJHZLMPHGNVHG-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)OC2COC2)CCN1C ZINC000902968391 584703079 /nfs/dbraw/zinc/70/30/79/584703079.db2.gz 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20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1CCO[C@@]12CCOC2 ZINC000903058619 584722320 /nfs/dbraw/zinc/72/23/20/584722320.db2.gz IXFKLPPCCXHQFS-HOSYDEDBSA-N 0 3 242.319 0.049 20 0 BCADHN CC(C)[C@@H](N[C@H](C)CCO)c1nncn1C ZINC000903064071 584723045 /nfs/dbraw/zinc/72/30/45/584723045.db2.gz KNZUKIBSLJNRIL-NXEZZACHSA-N 0 3 226.324 0.873 20 0 BCADHN CO[C@@H]1CCC[C@@H]1N[C@H]1CC(=O)N(C2CC2)C1 ZINC000903125896 584729700 /nfs/dbraw/zinc/72/97/00/584729700.db2.gz PGULNKHHUVDRMO-ZMLRMANQSA-N 0 3 238.331 0.907 20 0 BCADHN C[C@H](N[C@@H]1CCN(C)[C@@H]1C)c1ccc(=O)[nH]n1 ZINC000903302153 584744806 /nfs/dbraw/zinc/74/48/06/584744806.db2.gz WZJXGJUUHGPMIN-IQJOONFLSA-N 0 3 236.319 0.925 20 0 BCADHN Cn1cnc(CN[C@@H]2CN3C[C@@H]2CCC3)c1 ZINC000903351014 584755138 /nfs/dbraw/zinc/75/51/38/584755138.db2.gz HGHIIAWIQHMQMS-CMPLNLGQSA-N 0 3 220.320 0.604 20 0 BCADHN Cn1cnc(CN[C@H]2CN3C[C@@H]2CCC3)c1 ZINC000903351109 584755580 /nfs/dbraw/zinc/75/55/80/584755580.db2.gz HGHIIAWIQHMQMS-JQWIXIFHSA-N 0 3 220.320 0.604 20 0 BCADHN CCN1CCC[C@@H](N[C@@H](C)CCO)C1=O ZINC000903391780 584756227 /nfs/dbraw/zinc/75/62/27/584756227.db2.gz GTAUAYCKWZDJNQ-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@H](NCC[C@@H](O)C1CC1)c1cnnn1C ZINC000903406174 584758857 /nfs/dbraw/zinc/75/88/57/584758857.db2.gz HERTVULHOBLMQF-GZMMTYOYSA-N 0 3 224.308 0.627 20 0 BCADHN C[C@H](NCC[C@H](O)C1CC1)c1cnnn1C ZINC000903406176 584758873 /nfs/dbraw/zinc/75/88/73/584758873.db2.gz HERTVULHOBLMQF-KWQFWETISA-N 0 3 224.308 0.627 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1N[C@@H]1COC[C@H]1C1CC1 ZINC000903439876 584763015 /nfs/dbraw/zinc/76/30/15/584763015.db2.gz JEIWHXJKQVTDLY-AXFHLTTASA-N 0 3 238.331 0.526 20 0 BCADHN C[C@H](N[C@@H]1COC[C@@H]1C1CC1)c1cnnn1C ZINC000903441230 584763298 /nfs/dbraw/zinc/76/32/98/584763298.db2.gz ZORNTDDBHBGKAZ-JMJZKYOTSA-N 0 3 236.319 0.891 20 0 BCADHN FC(F)[C@@H]1CNCCN1CCOC1CC1 ZINC000903452651 584771824 /nfs/dbraw/zinc/77/18/24/584771824.db2.gz PGWOYALMEQTOJX-VIFPVBQESA-N 0 3 220.263 0.704 20 0 BCADHN C[C@@H](NS(=O)(=O)C1CNC1)c1cncs1 ZINC000903555311 584782969 /nfs/dbraw/zinc/78/29/69/584782969.db2.gz IUDLOKCVPGBZKA-ZCFIWIBFSA-N 0 3 247.345 0.095 20 0 BCADHN O=S(=O)(N[C@@H]1C[C@H]2CCC[C@H]21)C1CNC1 ZINC000903555672 584783283 /nfs/dbraw/zinc/78/32/83/584783283.db2.gz WZXKKTZHVZZECZ-SZEHBUNVSA-N 0 3 230.333 0.066 20 0 BCADHN [NH3+]C[C@H]1C[C@H]([N-]S(=O)(=O)c2cscn2)C1 ZINC000903569288 584783495 /nfs/dbraw/zinc/78/34/95/584783495.db2.gz GOKRDFJBKZXESS-LJGSYFOKSA-N 0 3 247.345 0.159 20 0 BCADHN Cc1cn(C)nc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000903764819 584796986 /nfs/dbraw/zinc/79/69/86/584796986.db2.gz BOWOWFMAOPPDEH-NXEZZACHSA-N 0 3 226.299 0.600 20 0 BCADHN CCOC(=O)[C@@H]1C[C@H]1CN1CC[C@@H](F)[C@H](N)C1 ZINC000903765867 584797417 /nfs/dbraw/zinc/79/74/17/584797417.db2.gz LNQKJXIVQCOFMW-LNFKQOIKSA-N 0 3 244.310 0.557 20 0 BCADHN C[C@@H]1CCOCCN1C[C@H]1CNCCO1 ZINC000903830933 584805661 /nfs/dbraw/zinc/80/56/61/584805661.db2.gz BQNLJHUBFUEYHJ-GHMZBOCLSA-N 0 3 214.309 0.086 20 0 BCADHN C[C@@H]1OCC[C@H]1NCc1cc(N)ccn1 ZINC000903949869 584830026 /nfs/dbraw/zinc/83/00/26/584830026.db2.gz FZNQVYOTQGQUMW-GZMMTYOYSA-N 0 3 207.277 0.931 20 0 BCADHN CN1CCN(Cc2ccc(N)nn2)C(C)(C)C1 ZINC000904321957 584864984 /nfs/dbraw/zinc/86/49/84/584864984.db2.gz LDHVPJZXKZSYBX-UHFFFAOYSA-N 0 3 235.335 0.585 20 0 BCADHN C[C@H]1CN(Cc2ccc(N)nn2)[C@@H](C)CN1C ZINC000904340754 584866608 /nfs/dbraw/zinc/86/66/08/584866608.db2.gz CFRWXRKMTMQMJM-UWVGGRQHSA-N 0 3 235.335 0.583 20 0 BCADHN C[C@@H]1[C@@H](C)N(Cc2ccc(N)nn2)CCN1C ZINC000904346751 584868387 /nfs/dbraw/zinc/86/83/87/584868387.db2.gz WOTSRRONFKAFKC-NXEZZACHSA-N 0 3 235.335 0.583 20 0 BCADHN CC1=NO[C@@H](CNC(=O)N[C@@H](C)CN(C)C)C1 ZINC000875962285 584885123 /nfs/dbraw/zinc/88/51/23/584885123.db2.gz SOTIUZSPPMFZQF-VHSXEESVSA-N 0 3 242.323 0.401 20 0 BCADHN Cc1ccnn1CC(=O)N1CCN[C@H](C)[C@H]1C ZINC000876832634 584887525 /nfs/dbraw/zinc/88/75/25/584887525.db2.gz QLKLROYCHKXTGR-GHMZBOCLSA-N 0 3 236.319 0.400 20 0 BCADHN CCOC(=O)C1=CC[C@@H](NC(=O)C(C)(C)N)C1 ZINC000877025968 584888868 /nfs/dbraw/zinc/88/88/68/584888868.db2.gz BJSICLVYIHYCMR-SECBINFHSA-N 0 3 240.303 0.492 20 0 BCADHN C[S@](=O)CCNCc1cccc(F)c1N ZINC000877052636 584889145 /nfs/dbraw/zinc/88/91/45/584889145.db2.gz ZAMKCOQMHGFBLP-HNNXBMFYSA-N 0 3 230.308 0.876 20 0 BCADHN CCn1ncnc1CNCCN1CCC[C@@H]1C ZINC000877154429 584891062 /nfs/dbraw/zinc/89/10/62/584891062.db2.gz PZXXFTGZGRINHC-NSHDSACASA-N 0 3 237.351 0.872 20 0 BCADHN CC(C)[C@@H](C)NC(=O)Cn1cc([C@@H](C)N)nn1 ZINC000124306171 584912635 /nfs/dbraw/zinc/91/26/35/584912635.db2.gz UQJXCBRTOAEHSK-RKDXNWHRSA-N 0 3 239.323 0.459 20 0 BCADHN CN(C)C1(C(=O)NCC2(C)COC2)CCC1 ZINC000763043948 584919463 /nfs/dbraw/zinc/91/94/63/584919463.db2.gz KBBUSVUONGDXHX-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CCC[C@H](COC(=O)C1CCN(C)C1=O)OC ZINC000835546479 584927222 /nfs/dbraw/zinc/92/72/22/584927222.db2.gz TYXXWYGKFRPBNZ-ZJUUUORDSA-N 0 3 243.303 0.823 20 0 BCADHN CCc1cc(CNC(=O)CN(CC)CC)[nH]n1 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585197902 /nfs/dbraw/zinc/19/79/02/585197902.db2.gz IUQOABSGVKIYDK-UHFFFAOYSA-N 0 3 245.323 0.348 20 0 BCADHN COC[C@H](NC(=S)NCCN(C)C)C1CC1 ZINC000749744122 585205339 /nfs/dbraw/zinc/20/53/39/585205339.db2.gz LRGKEOKLCOMLKI-JTQLQIEISA-N 0 3 245.392 0.437 20 0 BCADHN O[C@H](CN1CC[C@@H]2C[C@@H]21)CC1(O)CCC1 ZINC000859217225 589020068 /nfs/dbraw/zinc/02/00/68/589020068.db2.gz PVCJABSUEHYGRI-VWYCJHECSA-N 0 3 211.305 0.747 20 0 BCADHN C[C@@H](CNC(=O)[C@H](C)N(C)C)N1CCCCC1 ZINC000750610203 585217802 /nfs/dbraw/zinc/21/78/02/585217802.db2.gz NBRFRCNZYKNRDR-RYUDHWBXSA-N 0 3 241.379 0.927 20 0 BCADHN CCOCCNC(=S)NC[C@H](C)N(C)C ZINC000750990669 585223071 /nfs/dbraw/zinc/22/30/71/585223071.db2.gz ZHOADGGFXNJHJJ-VIFPVBQESA-N 0 3 233.381 0.437 20 0 BCADHN CN1CC[C@H](NC(=S)NCC(F)(F)F)C1 ZINC000750998522 585223422 /nfs/dbraw/zinc/22/34/22/585223422.db2.gz DBSIYPSLEPQJBP-LURJTMIESA-N 0 3 241.282 0.717 20 0 BCADHN C[C@@H]1CN(CCOC2CCOCC2)CCN1C ZINC000859216475 589020236 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AINSKRWSJLGUGP-ZJUUUORDSA-N 0 3 246.314 0.832 20 0 BCADHN CONC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000753824645 585270475 /nfs/dbraw/zinc/27/04/75/585270475.db2.gz HDQHKLASHHDXQZ-SECBINFHSA-N 0 3 233.337 0.284 20 0 BCADHN COC(=O)[C@H]1CCN(CC[C@H]2CCOC2=O)C1 ZINC000753843004 585271051 /nfs/dbraw/zinc/27/10/51/585271051.db2.gz AMGLAZQKQLODKW-UWVGGRQHSA-N 0 3 241.287 0.435 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CC(C)(C)OC1=O ZINC000753866406 585271272 /nfs/dbraw/zinc/27/12/72/585271272.db2.gz KAQQOWJCQLVHEV-VIFPVBQESA-N 0 3 242.319 0.537 20 0 BCADHN C[C@@H](CO)N(C)Cc1ccnc(N(C)C)c1 ZINC000754070730 585277302 /nfs/dbraw/zinc/27/73/02/585277302.db2.gz LNCNWHOHFUKDKL-JTQLQIEISA-N 0 3 223.320 0.960 20 0 BCADHN C[C@H]1CN(C(=O)CNC2(C3CC3)CC2)CCO1 ZINC000754356696 585282914 /nfs/dbraw/zinc/28/29/14/585282914.db2.gz CJFIFQLOUDUWCB-JTQLQIEISA-N 0 3 238.331 0.766 20 0 BCADHN C[C@H]1COCCN(CCn2ccccc2=O)C1 ZINC000754381313 585283754 /nfs/dbraw/zinc/28/37/54/585283754.db2.gz DNSGHRQPCMAVLY-GFCCVEGCSA-N 0 3 236.315 0.817 20 0 BCADHN CC[C@H](C(=O)N1CCN(C)[C@H](C)C1)N(C)C ZINC000754466476 585285117 /nfs/dbraw/zinc/28/51/17/585285117.db2.gz ADSDRVOHODXCES-GHMZBOCLSA-N 0 3 227.352 0.489 20 0 BCADHN Cn1nnnc1SCCN1CCCC1 ZINC000754492957 585285239 /nfs/dbraw/zinc/28/52/39/585285239.db2.gz FWJDUBQTDAFGAS-UHFFFAOYSA-N 0 3 213.310 0.398 20 0 BCADHN COC(=O)C[C@H](NCc1cnn(C)c1)C1CC1 ZINC000754524409 585285404 /nfs/dbraw/zinc/28/54/04/585285404.db2.gz XJVOQSQHNWPIGV-NSHDSACASA-N 0 3 237.303 0.851 20 0 BCADHN COC(=O)C[C@H](NCc1ccnn1C)C1CC1 ZINC000754534532 585285552 /nfs/dbraw/zinc/28/55/52/585285552.db2.gz AWUZBUHTVXHIQS-NSHDSACASA-N 0 3 237.303 0.851 20 0 BCADHN COC(=O)C[C@@H](NCc1cncn1C)C1CC1 ZINC000754543813 585285856 /nfs/dbraw/zinc/28/58/56/585285856.db2.gz ZPMBJYOXLSRWGY-LLVKDONJSA-N 0 3 237.303 0.851 20 0 BCADHN CN(C)CCNC(=S)N(C)[C@H]1CCSC1 ZINC000755404275 585299114 /nfs/dbraw/zinc/29/91/14/585299114.db2.gz WWEVDPUQEWERGR-VIFPVBQESA-N 0 3 247.433 0.860 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2ncccn2)C1 ZINC000755588275 585301978 /nfs/dbraw/zinc/30/19/78/585301978.db2.gz FUQCZQRYBZUSMC-NXEZZACHSA-N 0 3 234.303 0.547 20 0 BCADHN COCCOC[C@H](C)NCc1cnn(C)c1C ZINC000756028845 585313241 /nfs/dbraw/zinc/31/32/41/585313241.db2.gz JSTPGLVBKGHODJ-JTQLQIEISA-N 0 3 241.335 0.870 20 0 BCADHN C[NH+](C)CC[N-]C(=O)C(F)(F)c1nccs1 ZINC000756408097 585319374 /nfs/dbraw/zinc/31/93/74/585319374.db2.gz GODZSLJGIXFHIN-UHFFFAOYSA-N 0 3 249.286 0.913 20 0 BCADHN CN(C)CCNC(=O)C(F)(F)c1nccs1 ZINC000756408097 585319375 /nfs/dbraw/zinc/31/93/75/585319375.db2.gz GODZSLJGIXFHIN-UHFFFAOYSA-N 0 3 249.286 0.913 20 0 BCADHN CC(C)N(C)CC(=O)NC1COC(C)(C)OC1 ZINC000756710164 585322397 /nfs/dbraw/zinc/32/23/97/585322397.db2.gz BLIJDHLHZVHRFO-UHFFFAOYSA-N 0 3 244.335 0.594 20 0 BCADHN CC[C@@H](C(=O)NC1COC(C)(C)OC1)N(C)C ZINC000756713537 585322581 /nfs/dbraw/zinc/32/25/81/585322581.db2.gz WAPCZDLOXUSMJY-JTQLQIEISA-N 0 3 244.335 0.594 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)C1=COCC1 ZINC000756933240 585325141 /nfs/dbraw/zinc/32/51/41/585325141.db2.gz MSGOASNZMPSREB-NSHDSACASA-N 0 3 224.304 0.843 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1ncccn1 ZINC000756933548 585325194 /nfs/dbraw/zinc/32/51/94/585325194.db2.gz STBGRZZESKTXNB-JTQLQIEISA-N 0 3 234.303 0.643 20 0 BCADHN Cc1nonc1C(=O)N1CCC[C@H]1CN(C)C ZINC000756933551 585325217 /nfs/dbraw/zinc/32/52/17/585325217.db2.gz SYALZUXYTNJLOQ-VIFPVBQESA-N 0 3 238.291 0.544 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H](CCO)C1CC1)N(C)C ZINC000757083680 585327807 /nfs/dbraw/zinc/32/78/07/585327807.db2.gz GBTYAPPDVCCYBX-NWDGAFQWSA-N 0 3 242.363 0.850 20 0 BCADHN C[C@H](N[C@@H](CO)C1CC1)C(=O)N1CCCCC1 ZINC000839555563 585329592 /nfs/dbraw/zinc/32/95/92/585329592.db2.gz KBNKDCVBKYYSBZ-JQWIXIFHSA-N 0 3 240.347 0.748 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)C(OC)OC ZINC000808156672 585331518 /nfs/dbraw/zinc/33/15/18/585331518.db2.gz NXPNXPZEAJLLGP-VIFPVBQESA-N 0 3 232.324 0.452 20 0 BCADHN C[C@@H]1[C@H](CO)CCCN1CCN1CCOC1=O ZINC000839668850 585333373 /nfs/dbraw/zinc/33/33/73/585333373.db2.gz IMTOYKGBIYQHPO-MNOVXSKESA-N 0 3 242.319 0.531 20 0 BCADHN C[C@@H]1[C@@H](CO)CCCN1CCN1CCOC1=O ZINC000839668849 585333445 /nfs/dbraw/zinc/33/34/45/585333445.db2.gz IMTOYKGBIYQHPO-GHMZBOCLSA-N 0 3 242.319 0.531 20 0 BCADHN CCS(=O)(=O)CCN[C@@H](C)C1(OC)CCC1 ZINC000839658117 585333557 /nfs/dbraw/zinc/33/35/57/585333557.db2.gz AZBOAXOUAQZKEX-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN CCS(=O)(=O)CCN[C@H](C)C1(OC)CCC1 ZINC000839658118 585333719 /nfs/dbraw/zinc/33/37/19/585333719.db2.gz AZBOAXOUAQZKEX-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN C[C@@H](O)[C@H]1CN(C[Si](C)(C)C)CCO1 ZINC000839671286 585336096 /nfs/dbraw/zinc/33/60/96/585336096.db2.gz LAKQCIRJYCDICP-NXEZZACHSA-N 0 3 217.385 0.945 20 0 BCADHN COC(OC)[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC000839765105 585339036 /nfs/dbraw/zinc/33/90/36/585339036.db2.gz QRUQNLGBUSZBOF-VHSXEESVSA-N 0 3 246.351 0.696 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)C(OC)OC)N(C)C ZINC000839766704 585339346 /nfs/dbraw/zinc/33/93/46/585339346.db2.gz NACOPFNFFDZAHA-IUCAKERBSA-N 0 3 232.324 0.450 20 0 BCADHN CCCN(C)CC(=O)NCCOC(C)=O ZINC000839748594 585340451 /nfs/dbraw/zinc/34/04/51/585340451.db2.gz UNCNYKNVRCMWMH-UHFFFAOYSA-N 0 3 216.281 0.008 20 0 BCADHN CC[C@]1(C)CCN(CCS(N)(=O)=O)C1 ZINC000758741263 585359296 /nfs/dbraw/zinc/35/92/96/585359296.db2.gz QMAUFLCPSPQKMB-SECBINFHSA-N 0 3 220.338 0.397 20 0 BCADHN CCN(CC)CC(=O)N1CCN(CCF)CC1 ZINC000759340824 585368917 /nfs/dbraw/zinc/36/89/17/585368917.db2.gz ZBYXRUZCEARNGA-UHFFFAOYSA-N 0 3 245.342 0.442 20 0 BCADHN CN(C)C1(C(=O)N(C)CC2(O)CCC2)CCC1 ZINC000760088538 585385279 /nfs/dbraw/zinc/38/52/79/585385279.db2.gz WEPAENZSXUMYNL-UHFFFAOYSA-N 0 3 240.347 0.844 20 0 BCADHN CC(C(=O)N[C@@H](C)c1ccc[nH]1)S(C)(=O)=O ZINC000760731979 585396471 /nfs/dbraw/zinc/39/64/71/585396471.db2.gz QCPLZKVEQSZENM-JGVFFNPUSA-N 0 3 244.316 0.625 20 0 BCADHN CC(C)[C@H]1C(=O)NCCN1CCN1CCCC1 ZINC000760835161 585398846 /nfs/dbraw/zinc/39/88/46/585398846.db2.gz XCPWTUMYXODRDT-LBPRGKRZSA-N 0 3 239.363 0.539 20 0 BCADHN COC(=O)[C@@]1(F)CCN(CCN2CCCC2)C1 ZINC000760842282 585399421 /nfs/dbraw/zinc/39/94/21/585399421.db2.gz FTCUBRQAMVCXND-GFCCVEGCSA-N 0 3 244.310 0.669 20 0 BCADHN Cc1nc2n(n1)CCN(CCN1CCCC1)C2 ZINC000760844974 585399560 /nfs/dbraw/zinc/39/95/60/585399560.db2.gz SRTISFBKUAHOIM-UHFFFAOYSA-N 0 3 235.335 0.498 20 0 BCADHN CC(C)OC(=O)CCN1CCN(C)[C@@H](C)C1 ZINC000761067465 585404736 /nfs/dbraw/zinc/40/47/36/585404736.db2.gz DZSKUCUQVLXXTL-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1CN(CCCN2CCOC2=O)CCN1C ZINC000761070384 585405224 /nfs/dbraw/zinc/40/52/24/585405224.db2.gz NPIAVWJKHDSMJV-LLVKDONJSA-N 0 3 241.335 0.465 20 0 BCADHN C[C@@H]1CN(CCCN2CCCC2=O)CCN1C ZINC000761074727 585406045 /nfs/dbraw/zinc/40/60/45/585406045.db2.gz YNRWJFOWWHKWGU-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN Cc1noc(CCCN2CCN(C)[C@@H](C)C2)n1 ZINC000761080066 585406844 /nfs/dbraw/zinc/40/68/44/585406844.db2.gz VIHNJMOUAJIBHW-JTQLQIEISA-N 0 3 238.335 0.947 20 0 BCADHN CCS(=O)(=O)NCCCN1CC[C@@H]2C[C@@H]21 ZINC000761087165 585407747 /nfs/dbraw/zinc/40/77/47/585407747.db2.gz OZSPKKPWPAGGMZ-ZJUUUORDSA-N 0 3 232.349 0.410 20 0 BCADHN CN(C)C1(C(=O)N[C@@H]2C=C[C@H](CO)C2)CCC1 ZINC000761900085 585422388 /nfs/dbraw/zinc/42/23/88/585422388.db2.gz BBGAHEIPSSKBFZ-WDEREUQCSA-N 0 3 238.331 0.524 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CC(C)(C)OC1=O)N(C)C ZINC000762036176 585424867 /nfs/dbraw/zinc/42/48/67/585424867.db2.gz CQEIFQVOPLAYBL-RKDXNWHRSA-N 0 3 242.319 0.537 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CC(C)(C)OC1=O)N(C)C ZINC000762036174 585424986 /nfs/dbraw/zinc/42/49/86/585424986.db2.gz CQEIFQVOPLAYBL-DTWKUNHWSA-N 0 3 242.319 0.537 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CC(C)(C)OC1=O)N(C)C ZINC000762036173 585425035 /nfs/dbraw/zinc/42/50/35/585425035.db2.gz CQEIFQVOPLAYBL-BDAKNGLRSA-N 0 3 242.319 0.537 20 0 BCADHN C[C@@H](C1=CCN(C)CC1)N1C(=O)CN(C)C1=O ZINC000762316614 585430582 /nfs/dbraw/zinc/43/05/82/585430582.db2.gz OYBOLSHUQRLPHO-VIFPVBQESA-N 0 3 237.303 0.531 20 0 BCADHN C[C@H](CC(=O)NC[C@@]1(O)CCN(C)C1)C1CC1 ZINC000762716814 585435909 /nfs/dbraw/zinc/43/59/09/585435909.db2.gz KLMITIGQKVYITD-MFKMUULPSA-N 0 3 240.347 0.605 20 0 BCADHN CC/C(C)=C(/C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000762726022 585436539 /nfs/dbraw/zinc/43/65/39/585436539.db2.gz ZZFPDOJYJUBTKY-BSYHEUMXSA-N 0 3 240.347 0.916 20 0 BCADHN Cc1nccn1CCCN1CCCNC(=O)C1 ZINC000762916907 585439229 /nfs/dbraw/zinc/43/92/29/585439229.db2.gz JDYDVKINQUIMSK-UHFFFAOYSA-N 0 3 236.319 0.404 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC000762977826 585440726 /nfs/dbraw/zinc/44/07/26/585440726.db2.gz CKOBDPFEXNNBIK-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN CN(C)C(=O)CCNC(=O)C1(N(C)C)CCC1 ZINC000762975703 585440754 /nfs/dbraw/zinc/44/07/54/585440754.db2.gz XIMATCZTYVJSKF-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CN(C)C1(C(=O)N(C)Cc2cnccn2)CCC1 ZINC000762981256 585440946 /nfs/dbraw/zinc/44/09/46/585440946.db2.gz UQWRCOGATIBMHZ-UHFFFAOYSA-N 0 3 248.330 0.919 20 0 BCADHN Cc1nc(CNC(=O)C2(N(C)C)CCC2)no1 ZINC000763018539 585441485 /nfs/dbraw/zinc/44/14/85/585441485.db2.gz ZUCKDOFKFKKOED-UHFFFAOYSA-N 0 3 238.291 0.479 20 0 BCADHN Cc1noc(CNC(=O)C2(N(C)C)CCC2)n1 ZINC000763028917 585441884 /nfs/dbraw/zinc/44/18/84/585441884.db2.gz ISLBPVGLYAVOCN-UHFFFAOYSA-N 0 3 238.291 0.479 20 0 BCADHN COC[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC000763030292 585441940 /nfs/dbraw/zinc/44/19/40/585441940.db2.gz OXYHCQWQPBEYBM-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CN(C)C1(C(=O)N[C@H]2CCCN(C)C2)CCC1 ZINC000763040862 585442094 /nfs/dbraw/zinc/44/20/94/585442094.db2.gz ALIOILYJVVTJOP-NSHDSACASA-N 0 3 239.363 0.681 20 0 BCADHN CN(C)C1(C(=O)N2CC(n3cncn3)C2)CCC1 ZINC000763041983 585442186 /nfs/dbraw/zinc/44/21/86/585442186.db2.gz TYIWEMSQMOOLIO-UHFFFAOYSA-N 0 3 249.318 0.146 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC000763042036 585442259 /nfs/dbraw/zinc/44/22/59/585442259.db2.gz VQVAJXUOWFYMQX-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN O=C(CN[C@H](CO)C1CC1)NCc1cccnc1 ZINC000763065828 585442620 /nfs/dbraw/zinc/44/26/20/585442620.db2.gz HAYQAHFXEVHJNV-GFCCVEGCSA-N 0 3 249.314 0.058 20 0 BCADHN CC[C@@H](CCO)CNC(=O)C1(N(C)C)CCC1 ZINC000763075296 585442945 /nfs/dbraw/zinc/44/29/45/585442945.db2.gz RVUSYAYXNQDIOB-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN Cc1cc(N2CCN3C(=O)OC[C@H]3C2)nc(N)n1 ZINC000763394611 585447657 /nfs/dbraw/zinc/44/76/57/585447657.db2.gz WIQFPUMIKDKDGX-MRVPVSSYSA-N 0 3 249.274 0.008 20 0 BCADHN C[C@@H](CCCO)NC(=O)C1(N(C)C)CCC1 ZINC000763492705 585448761 /nfs/dbraw/zinc/44/87/61/585448761.db2.gz PCSMRKNFKKVLAF-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN O=C1O[C@@H](CN2CCC[C@H](CO)C2)CC12CC2 ZINC000763659573 585451667 /nfs/dbraw/zinc/45/16/67/585451667.db2.gz IJZXPCNNTOVQJL-WDEREUQCSA-N 0 3 239.315 0.786 20 0 BCADHN O=C1O[C@H](CN2CCCC[C@H]2CO)CC12CC2 ZINC000763662252 585451862 /nfs/dbraw/zinc/45/18/62/585451862.db2.gz QVCNMLVZUPBWIH-QWRGUYRKSA-N 0 3 239.315 0.929 20 0 BCADHN C[C@@H](O)CN(C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763687988 585452240 /nfs/dbraw/zinc/45/22/40/585452240.db2.gz RISCFRVFTLAEEU-RKDXNWHRSA-N 0 3 213.277 0.395 20 0 BCADHN CN(C[C@H]1CC2(CC2)C(=O)O1)CC(C)(C)O ZINC000763689102 585452282 /nfs/dbraw/zinc/45/22/82/585452282.db2.gz UQUAWBXDCHRKEK-SECBINFHSA-N 0 3 227.304 0.785 20 0 BCADHN C[C@]1(O)CCCN(C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000763743130 585453539 /nfs/dbraw/zinc/45/35/39/585453539.db2.gz YPVDKAKPSLVMII-JQWIXIFHSA-N 0 3 239.315 0.929 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763734692 585453740 /nfs/dbraw/zinc/45/37/40/585453740.db2.gz GNEHQBLFHXAOLD-BBBLOLIVSA-N 0 3 225.288 0.537 20 0 BCADHN CN(C[C@H]1CC2(CC2)C(=O)O1)C1CC(O)C1 ZINC000763756053 585454059 /nfs/dbraw/zinc/45/40/59/585454059.db2.gz SQAROLZKYPEHHH-UDNWOFFPSA-N 0 3 225.288 0.537 20 0 BCADHN C[C@@H]1CN(C[C@H]2CC3(CC3)C(=O)O2)CC[C@H]1O ZINC000763778923 585454120 /nfs/dbraw/zinc/45/41/20/585454120.db2.gz JRBUOWOFZRXRMU-GMTAPVOTSA-N 0 3 239.315 0.785 20 0 BCADHN CC(=O)NCCCN(C)[C@H](CO)COC(C)C ZINC000763877800 585455872 /nfs/dbraw/zinc/45/58/72/585455872.db2.gz GWDOHNJNHUFDAA-GFCCVEGCSA-N 0 3 246.351 0.230 20 0 BCADHN CC(C)(C)OC(=O)C(=O)NCCN1CCCC1 ZINC000764864691 585476262 /nfs/dbraw/zinc/47/62/62/585476262.db2.gz QNLIQLFDBFVFPO-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)[C@@H](O)C(C)(C)C)C1 ZINC000764976843 585478455 /nfs/dbraw/zinc/47/84/55/585478455.db2.gz FZMRLPPVJVPXAC-GHMZBOCLSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@H](O)CNC(=O)NC[C@H](C)N1CCCCC1 ZINC000765468370 585487386 /nfs/dbraw/zinc/48/73/86/585487386.db2.gz WZWAPEBYUSINSJ-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN CCCCN(CC)[C@H]1CCC(=O)NC1=O ZINC000765958299 585494006 /nfs/dbraw/zinc/49/40/06/585494006.db2.gz KKNXXCGDGLYKNK-VIFPVBQESA-N 0 3 212.293 0.914 20 0 BCADHN COC[C@@H]1CCCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000765966897 585494893 /nfs/dbraw/zinc/49/48/93/585494893.db2.gz VZWBDZLWSPFWBY-NXEZZACHSA-N 0 3 240.303 0.150 20 0 BCADHN CN1CCN(C(=O)[C@@H]2CC2(C)C)[C@H](CN)C1 ZINC000300215316 585501545 /nfs/dbraw/zinc/50/15/45/585501545.db2.gz ZGDNYBFYYFNDIJ-ZJUUUORDSA-N 0 3 225.336 0.134 20 0 BCADHN Cc1nc(C(=O)NCCN2CCC[C@H]2C)no1 ZINC000766507262 585503484 /nfs/dbraw/zinc/50/34/84/585503484.db2.gz JGQSSGMZITUWFM-MRVPVSSYSA-N 0 3 238.291 0.592 20 0 BCADHN Cc1nc(C(=O)NCCN2CCC[C@@H]2C)no1 ZINC000766507266 585503579 /nfs/dbraw/zinc/50/35/79/585503579.db2.gz JGQSSGMZITUWFM-QMMMGPOBSA-N 0 3 238.291 0.592 20 0 BCADHN CNC(=O)[C@H](C)CN(C)CCC(=O)C1CC1 ZINC000767414252 585519355 /nfs/dbraw/zinc/51/93/55/585519355.db2.gz JNNAAHSCNVTWGY-SECBINFHSA-N 0 3 226.320 0.670 20 0 BCADHN NC(=O)CCC1CCN(CCF)CC1 ZINC000767771863 585526133 /nfs/dbraw/zinc/52/61/33/585526133.db2.gz GDTHKXOWTULLET-UHFFFAOYSA-N 0 3 202.273 0.933 20 0 BCADHN CCCN(C)CC(=O)NC1(CO)CCC1 ZINC000767890878 585527586 /nfs/dbraw/zinc/52/75/86/585527586.db2.gz XGIAIKFJOAENKJ-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN CCN1CCC[C@@H]1CNC(=S)NC[C@@H](C)O ZINC000768279549 585535188 /nfs/dbraw/zinc/53/51/88/585535188.db2.gz CMGRTQJZMWMVBM-NXEZZACHSA-N 0 3 245.392 0.316 20 0 BCADHN COC(=O)[C@@]1(F)CCN(C[C@H]2CCCOC2)C1 ZINC000768530149 585539566 /nfs/dbraw/zinc/53/95/66/585539566.db2.gz HMTBUIDUCGMNMA-ZYHUDNBSSA-N 0 3 245.294 1.000 20 0 BCADHN CC1CCN(CCN2CCCNC(=O)C2)CC1 ZINC000768540682 585540079 /nfs/dbraw/zinc/54/00/79/585540079.db2.gz BJZQCFKWFMCZRM-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN C[C@H]1CN(CCNC(=O)OC(C)(C)C)C[C@H]1O ZINC000768768328 585542632 /nfs/dbraw/zinc/54/26/32/585542632.db2.gz JGHHDHGCNMJXPK-VHSXEESVSA-N 0 3 244.335 0.824 20 0 BCADHN CC[C@H](C)N(OC)C(=O)C(C)S(C)(=O)=O ZINC000768895206 585545641 /nfs/dbraw/zinc/54/56/41/585545641.db2.gz IWXPQEYFKBEYDJ-JGVFFNPUSA-N 0 3 237.321 0.608 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000769371236 585554816 /nfs/dbraw/zinc/55/48/16/585554816.db2.gz QTXUIHMXPKLEBD-BJDJZHNGSA-N 0 3 238.331 0.622 20 0 BCADHN O=C(CC1COC1)NCCN1CCCCC1 ZINC000769693720 585561898 /nfs/dbraw/zinc/56/18/98/585561898.db2.gz ITUWGDKEERTDBV-UHFFFAOYSA-N 0 3 226.320 0.625 20 0 BCADHN CCOCC[C@H](O)CNC1(C(N)=O)CCCC1 ZINC000769754007 585562841 /nfs/dbraw/zinc/56/28/41/585562841.db2.gz ZIKXYMJHTYKHRU-JTQLQIEISA-N 0 3 244.335 0.162 20 0 BCADHN CCOC(=O)N1CC[C@@H](NCc2cn[nH]c2)C1 ZINC000769934890 585566708 /nfs/dbraw/zinc/56/67/08/585566708.db2.gz IFBCHFJEYCMOIW-SNVBAGLBSA-N 0 3 238.291 0.730 20 0 BCADHN CC[C@@H](C(=O)NCc1ncccn1)N(C)C ZINC000770046718 585569957 /nfs/dbraw/zinc/56/99/57/585569957.db2.gz JEHFENWMHHCWLK-VIFPVBQESA-N 0 3 222.292 0.433 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1Cc1ccc2c(c1)COC2 ZINC000770667573 585579345 /nfs/dbraw/zinc/57/93/45/585579345.db2.gz HTTONNXSVFCVPZ-UONOGXRCSA-N 0 3 249.310 0.644 20 0 BCADHN CC[C@@H](O)CN[C@]1(CC(=O)OC)CCCOC1 ZINC000770702329 585580148 /nfs/dbraw/zinc/58/01/48/585580148.db2.gz XYRGUSYCCXOXOM-PWSUYJOCSA-N 0 3 245.319 0.459 20 0 BCADHN COC(=O)C[C@]1(NC[C@H](C)OC)CCCOC1 ZINC000770704044 585580189 /nfs/dbraw/zinc/58/01/89/585580189.db2.gz VTZNAAOYYSRIOU-CMPLNLGQSA-N 0 3 245.319 0.723 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N[C@H](CO)C1CC1 ZINC000771017107 585587376 /nfs/dbraw/zinc/58/73/76/585587376.db2.gz DAFKVQMZBULDHF-NEPJUHHUSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1CCOCCN1C[C@@H](O)CC1(O)CCC1 ZINC000859237420 589023560 /nfs/dbraw/zinc/02/35/60/589023560.db2.gz UHWQJHQABDMDPT-NEPJUHHUSA-N 0 3 243.347 0.763 20 0 BCADHN Cc1cc(N(C)CCc2cnccn2)nc(N)n1 ZINC000771258725 585591839 /nfs/dbraw/zinc/59/18/39/585591839.db2.gz KRBLFQRREXEOHZ-UHFFFAOYSA-N 0 3 244.302 0.836 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C1(N(C)C)CCC1 ZINC000805423053 585591866 /nfs/dbraw/zinc/59/18/66/585591866.db2.gz OHAIPQIBAAQRHT-JTQLQIEISA-N 0 3 227.352 0.537 20 0 BCADHN COC/C=C\C(=O)N[C@@H](C)CN(C)C ZINC000805425954 585592025 /nfs/dbraw/zinc/59/20/25/585592025.db2.gz GAKOHNCFMREVMC-UDIARPCQSA-N 0 3 200.282 0.255 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CSCCS1 ZINC000805426406 585592456 /nfs/dbraw/zinc/59/24/56/585592456.db2.gz OMUPDJXDYOLKNX-DTWKUNHWSA-N 0 3 248.417 0.901 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1CCN1CCOC1=O ZINC000771466851 585594957 /nfs/dbraw/zinc/59/49/57/585594957.db2.gz LKBLPXQYCHUVLG-WDEREUQCSA-N 0 3 241.335 0.463 20 0 BCADHN CN(C)C1(C(=O)NC[C@H](O)C2CC2)CCC1 ZINC000771563468 585596124 /nfs/dbraw/zinc/59/61/24/585596124.db2.gz DAVAOPKWZUTKLQ-JTQLQIEISA-N 0 3 226.320 0.358 20 0 BCADHN COC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000771658409 585598654 /nfs/dbraw/zinc/59/86/54/585598654.db2.gz SNHOCFNGWDSSEF-SNVBAGLBSA-N 0 3 229.324 0.368 20 0 BCADHN COc1coc(CN[C@H](CO)C2CC2)cc1=O ZINC000771802969 585600351 /nfs/dbraw/zinc/60/03/51/585600351.db2.gz ACLCZWCRSRIESL-SNVBAGLBSA-N 0 3 239.271 0.509 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N[C@@H](CCO)C1CC1 ZINC000771799255 585600532 /nfs/dbraw/zinc/60/05/32/585600532.db2.gz BSEYVVUDBKFYLY-PWSUYJOCSA-N 0 3 242.363 0.992 20 0 BCADHN CCN(CC)CCOC(=O)[C@@H]1CCNC(=O)C1 ZINC000772188629 585609663 /nfs/dbraw/zinc/60/96/63/585609663.db2.gz SJULDMLFGQLEJX-SNVBAGLBSA-N 0 3 242.319 0.398 20 0 BCADHN CCN(CC)CCOC(=O)C[C@H]1COC(=O)C1 ZINC000772189603 585609828 /nfs/dbraw/zinc/60/98/28/585609828.db2.gz AFWXHDLPQAPPNV-SNVBAGLBSA-N 0 3 243.303 0.825 20 0 BCADHN CCN(CC)CCOC(=O)C1(C)COC1 ZINC000772265762 585611386 /nfs/dbraw/zinc/61/13/86/585611386.db2.gz JODGYMIVVIFFTP-UHFFFAOYSA-N 0 3 215.293 0.908 20 0 BCADHN CC[C@H]1CC[C@@H](C)N1CCS(N)(=O)=O ZINC000772356982 585613135 /nfs/dbraw/zinc/61/31/35/585613135.db2.gz NXJCIZGPEJZBRU-BDAKNGLRSA-N 0 3 220.338 0.538 20 0 BCADHN Cn1cc(C(C)(C)NCCc2cn(C)nn2)cn1 ZINC000859249948 589023817 /nfs/dbraw/zinc/02/38/17/589023817.db2.gz BYHYYUFPBYALLN-UHFFFAOYSA-N 0 3 248.334 0.616 20 0 BCADHN CCC(=O)[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000772518517 585617228 /nfs/dbraw/zinc/61/72/28/585617228.db2.gz LSJBNFMODAQGRP-SFYZADRCSA-N 0 3 227.260 0.376 20 0 BCADHN CSCCCOC(=O)C1CCN(C)C1=O ZINC000772524241 585617533 /nfs/dbraw/zinc/61/75/33/585617533.db2.gz VMWBCIFFUAGEQW-QMMMGPOBSA-N 0 3 231.317 0.761 20 0 BCADHN COCCCCCOC(=O)C1CCN(C)C1=O ZINC000772529350 585617814 /nfs/dbraw/zinc/61/78/14/585617814.db2.gz BNZPBYPWHKWRNA-SNVBAGLBSA-N 0 3 243.303 0.825 20 0 BCADHN CN1CCC(C(=O)NN2CCCCC2)CC1 ZINC000772846197 585625423 /nfs/dbraw/zinc/62/54/23/585625423.db2.gz MQNNHHDCAVABHP-UHFFFAOYSA-N 0 3 225.336 0.845 20 0 BCADHN CC(C)N(C)CC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000773547649 585640086 /nfs/dbraw/zinc/64/00/86/585640086.db2.gz RXURSYBQJLRPSL-UHFFFAOYSA-N 0 3 243.351 0.469 20 0 BCADHN CN1CCC(ONC(=O)c2cnsn2)CC1 ZINC000773550125 585640134 /nfs/dbraw/zinc/64/01/34/585640134.db2.gz OZHJEAQVTSFWCS-UHFFFAOYSA-N 0 3 242.304 0.294 20 0 BCADHN CC(=O)CCCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000773546590 585640264 /nfs/dbraw/zinc/64/02/64/585640264.db2.gz NMRPGMXSDHZYKQ-UHFFFAOYSA-N 0 3 242.319 0.888 20 0 BCADHN CN1CCC(ONC(=O)C2CCC2)CC1 ZINC000773551475 585640365 /nfs/dbraw/zinc/64/03/65/585640365.db2.gz RVXVNKHJSXEZLU-UHFFFAOYSA-N 0 3 212.293 0.929 20 0 BCADHN C[Si](C)(C)CN1CCSC[C@@H]1C(N)=O ZINC000773575551 585640714 /nfs/dbraw/zinc/64/07/14/585640714.db2.gz ZMKUUKIIWGBLGE-MRVPVSSYSA-N 0 3 232.425 0.767 20 0 BCADHN O[C@@H]1C[C@H](O)CN(C[C@@H]2CCC=CO2)C1 ZINC000774913660 585669413 /nfs/dbraw/zinc/66/94/13/585669413.db2.gz OPEUQNAUFUOICW-AXFHLTTASA-N 0 3 213.277 0.107 20 0 BCADHN NC(=O)c1ccc(CNC[C@@H]2CCC=CO2)cn1 ZINC000775037983 585670866 /nfs/dbraw/zinc/67/08/66/585670866.db2.gz RGYMJSSIOWKFAJ-NSHDSACASA-N 0 3 247.298 0.963 20 0 BCADHN C[C@@]1(N[C@H]2CCCS(=O)(=O)C2)CCCOC1 ZINC000775400960 585677622 /nfs/dbraw/zinc/67/76/22/585677622.db2.gz LSFKWYWKFGXHJP-WDEREUQCSA-N 0 3 247.360 0.722 20 0 BCADHN C[C@@H]1CCOCCN1CCN1CCOC1=O ZINC000775570712 585680129 /nfs/dbraw/zinc/68/01/29/585680129.db2.gz VMEFYNYKLKTBRX-SNVBAGLBSA-N 0 3 228.292 0.549 20 0 BCADHN COc1ccc(CN2CC[C@H](C(N)=O)C2)nc1 ZINC000775964171 585688534 /nfs/dbraw/zinc/68/85/34/585688534.db2.gz IENCOYYQTBZRLX-VIFPVBQESA-N 0 3 235.287 0.397 20 0 BCADHN COC(=O)c1ccc(CN[C@@H](CO)C2CC2)o1 ZINC000776177147 585691623 /nfs/dbraw/zinc/69/16/23/585691623.db2.gz JYJXDCZLONRNEC-JTQLQIEISA-N 0 3 239.271 0.927 20 0 BCADHN CC[C@@H](C(=O)NCCN(C)OC)N(CC)CC ZINC000776564067 585700563 /nfs/dbraw/zinc/70/05/63/585700563.db2.gz PSPDDYGNRJWQSZ-NSHDSACASA-N 0 3 245.367 0.716 20 0 BCADHN COCc1noc(CONC(=N)[C@@H](C)OC)n1 ZINC000776836984 585706095 /nfs/dbraw/zinc/70/60/95/585706095.db2.gz KUGRERIPSVGDEE-ZCFIWIBFSA-N 0 3 244.251 0.249 20 0 BCADHN CCC(C)(C)N[C@@H](C)C(=O)NN1CCOCC1 ZINC000777102757 585708589 /nfs/dbraw/zinc/70/85/89/585708589.db2.gz SKKXKPTXLAAUPD-JTQLQIEISA-N 0 3 243.351 0.517 20 0 BCADHN CCN(CC1OCCO1)C[C@H]1CCOC1 ZINC000777557119 585715175 /nfs/dbraw/zinc/71/51/75/585715175.db2.gz FDHGGEAOOAIASM-SNVBAGLBSA-N 0 3 215.293 0.718 20 0 BCADHN CCN1CCCN(CC2OCCO2)CC1 ZINC000777571321 585715568 /nfs/dbraw/zinc/71/55/68/585715568.db2.gz XGUDAMHPXVHLKY-UHFFFAOYSA-N 0 3 214.309 0.387 20 0 BCADHN COC(=O)CCN(CC1OCCO1)C(C)C ZINC000777583479 585715951 /nfs/dbraw/zinc/71/59/51/585715951.db2.gz CIJJCXHOXZLGRK-UHFFFAOYSA-N 0 3 231.292 0.633 20 0 BCADHN C[C@H]1NC(=O)N([C@@H]2CCCN(C)C2)C1=O ZINC000777619501 585717209 /nfs/dbraw/zinc/71/72/09/585717209.db2.gz MEAJUIWWVIWPHN-HTQZYQBOSA-N 0 3 211.265 0.021 20 0 BCADHN C(C1OCCO1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000777711591 585718534 /nfs/dbraw/zinc/71/85/34/585718534.db2.gz AKVCFODMYQJOKM-GHMZBOCLSA-N 0 3 227.304 0.718 20 0 BCADHN CS[C@H]1CN(CC2OCCO2)C[C@@H]1N(C)C ZINC000777713044 585718832 /nfs/dbraw/zinc/71/88/32/585718832.db2.gz NKQWJWGAKSCIIX-UWVGGRQHSA-N 0 3 246.376 0.337 20 0 BCADHN O=C1OCC[C@]12CCCN2C[C@H]1CCOC1 ZINC000778243548 585729230 /nfs/dbraw/zinc/72/92/30/585729230.db2.gz SOIQLYWSUAKYAX-ZYHUDNBSSA-N 0 3 225.288 0.804 20 0 BCADHN O=C1OCC[C@@]12CCCN2CCN1CCCC1 ZINC000778249457 585729680 /nfs/dbraw/zinc/72/96/80/585729680.db2.gz NJQXZSSVHRGTGA-ZDUSSCGKSA-N 0 3 238.331 0.864 20 0 BCADHN CC[C@@]1(O)CCN(CC2OCCO2)C1 ZINC000778391557 585733201 /nfs/dbraw/zinc/73/32/01/585733201.db2.gz KJRMHNQOWSVBFJ-SNVBAGLBSA-N 0 3 201.266 0.206 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)C1CC(=O)C1 ZINC000778506627 585736134 /nfs/dbraw/zinc/73/61/34/585736134.db2.gz QMTGVJSKIASCPY-NSHDSACASA-N 0 3 226.320 0.668 20 0 BCADHN C[C@H]1COCCN([C@@H]2CCCN(C)C2=O)C1 ZINC000778949943 585742628 /nfs/dbraw/zinc/74/26/28/585742628.db2.gz FAATXFNGFRMPDM-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H]1C[C@@H](CN2CCCNC(=O)C2)CCO1 ZINC000779003136 585743688 /nfs/dbraw/zinc/74/36/88/585743688.db2.gz QULYAOLMCZPIES-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H]1C[C@H](CN2CCCNC(=O)C2)CCO1 ZINC000779003138 585743782 /nfs/dbraw/zinc/74/37/82/585743782.db2.gz QULYAOLMCZPIES-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CCN(CC(=O)NC)C[C@H]1CCO[C@H](C)C1 ZINC000778996383 585744006 /nfs/dbraw/zinc/74/40/06/585744006.db2.gz NESGBEPCOOMGSF-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN Cn1nnnc1CCN[C@H](CO)c1ccccc1 ZINC000779407558 585753967 /nfs/dbraw/zinc/75/39/67/585753967.db2.gz YXSUXDNWWVZJTH-LLVKDONJSA-N 0 3 247.302 0.076 20 0 BCADHN CCc1nc([C@@H](C)N[C@@H](C)CCO)n[nH]1 ZINC000779418159 585754482 /nfs/dbraw/zinc/75/44/82/585754482.db2.gz RYJFEWAXBPREHE-JGVFFNPUSA-N 0 3 212.297 0.789 20 0 BCADHN CC[C@@H](CO)C(=O)NCCN1CCCCC1 ZINC000779598088 585756738 /nfs/dbraw/zinc/75/67/38/585756738.db2.gz APVMHBNUILUGOY-NSHDSACASA-N 0 3 228.336 0.607 20 0 BCADHN OC1(CN2CCOCC2)CCN(CCF)CC1 ZINC000779604274 585757109 /nfs/dbraw/zinc/75/71/09/585757109.db2.gz UPQSMVJSXKAEQT-UHFFFAOYSA-N 0 3 246.326 0.115 20 0 BCADHN CC[C@H](CO)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000779611817 585757225 /nfs/dbraw/zinc/75/72/25/585757225.db2.gz WOYDREOSGZCWOE-NXEZZACHSA-N 0 3 226.320 0.358 20 0 BCADHN CC[C@H](CO)C(=O)NCCN(C)CCCOC ZINC000779638822 585757839 /nfs/dbraw/zinc/75/78/39/585757839.db2.gz UACKDZOVDVKZDQ-LLVKDONJSA-N 0 3 246.351 0.089 20 0 BCADHN C[C@H](CNC(=O)/C=C\c1cncc([O-])c1)[NH+](C)C ZINC000779656576 585758487 /nfs/dbraw/zinc/75/84/87/585758487.db2.gz VPEIUAZIKAZPLW-UMCURTJPSA-N 0 3 249.314 0.867 20 0 BCADHN COC1(CNC(=S)NCCN(C)C)CCC1 ZINC000779717997 585759647 /nfs/dbraw/zinc/75/96/47/585759647.db2.gz FEUTYUIFSKSILM-UHFFFAOYSA-N 0 3 245.392 0.581 20 0 BCADHN CC[C@@H](CO)C(=O)NCCN1CCCC[C@@H]1C ZINC000779738886 585760351 /nfs/dbraw/zinc/76/03/51/585760351.db2.gz ZBSFOOURQJRVDS-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](CO)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000779736147 585760375 /nfs/dbraw/zinc/76/03/75/585760375.db2.gz GBAAXTYFGSUXKT-VXGBXAGGSA-N 0 3 242.363 0.853 20 0 BCADHN CC[C@H](CO)C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000779836612 585768556 /nfs/dbraw/zinc/76/85/56/585768556.db2.gz DVTGIZBPCFQQHY-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@@H](CO)C(=O)N(C)CCN(C)C1CC1 ZINC000779844900 585768908 /nfs/dbraw/zinc/76/89/08/585768908.db2.gz NDPPRRDHNKXHQX-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H](NC(=O)c1nccn1C)C1=CCN(C)CC1 ZINC000781161806 585791932 /nfs/dbraw/zinc/79/19/32/585791932.db2.gz WZEHYTGPMDIZJS-SNVBAGLBSA-N 0 3 248.330 0.800 20 0 BCADHN COC(CN1CCC(CCC(N)=O)CC1)OC ZINC000781902735 585805137 /nfs/dbraw/zinc/80/51/37/585805137.db2.gz KNMOBJBROOPCKP-UHFFFAOYSA-N 0 3 244.335 0.583 20 0 BCADHN OC[C@@H]1CC(F)(F)CN1CCN1CCCC1 ZINC000781945192 585805664 /nfs/dbraw/zinc/80/56/64/585805664.db2.gz NXWJHKWFDPVKRE-JTQLQIEISA-N 0 3 234.290 0.784 20 0 BCADHN O=C1NCC2(CCN(C[C@@H]3CCCO3)CC2)O1 ZINC000781996991 585806386 /nfs/dbraw/zinc/80/63/86/585806386.db2.gz OSWAFLCRJBMKRM-JTQLQIEISA-N 0 3 240.303 0.740 20 0 BCADHN CN(C)c1cc(CN2CC[C@@H](CO)C2)ccn1 ZINC000782176646 585809803 /nfs/dbraw/zinc/80/98/03/585809803.db2.gz PICIQIOWSGPRFU-GFCCVEGCSA-N 0 3 235.331 0.962 20 0 BCADHN CCNS(=O)(=O)[C@@H]1CCN([C@@H](C)C2CC2)C1 ZINC000782188290 585810972 /nfs/dbraw/zinc/81/09/72/585810972.db2.gz BTANARHRXCNIQR-GXSJLCMTSA-N 0 3 246.376 0.799 20 0 BCADHN OC[C@@]12C[C@@H]1CN(CCc1ccncc1)C2 ZINC000782607318 585821767 /nfs/dbraw/zinc/82/17/67/585821767.db2.gz UNKIEBQABHIMFU-OLZOCXBDSA-N 0 3 218.300 0.938 20 0 BCADHN OC[C@]12C[C@H]1CN(C[C@H]1CCCCO1)C2 ZINC000782610446 585821861 /nfs/dbraw/zinc/82/18/61/585821861.db2.gz WSCDGHBAUWFTNR-QJPTWQEYSA-N 0 3 211.305 0.870 20 0 BCADHN CCOC(CN1C[C@H]2C[C@@]2(CO)C1)OCC ZINC000782614013 585822117 /nfs/dbraw/zinc/82/21/17/585822117.db2.gz FNWWPJVQATXTBX-PWSUYJOCSA-N 0 3 229.320 0.700 20 0 BCADHN CO[C@H]1CCCN(CC(=O)N(C)OC)CC1 ZINC000783019675 585827042 /nfs/dbraw/zinc/82/70/42/585827042.db2.gz DIVPIMOAJZIPDW-JTQLQIEISA-N 0 3 230.308 0.507 20 0 BCADHN C[C@@H]1CC[C@@H]1N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000783252800 585832312 /nfs/dbraw/zinc/83/23/12/585832312.db2.gz VQNUNRRSCLFCNG-USWWRNFRSA-N 0 3 248.330 0.914 20 0 BCADHN COC[C@@H](C)CN1CCN(CCCCO)CC1 ZINC000783564153 585836943 /nfs/dbraw/zinc/83/69/43/585836943.db2.gz BRKMICAVCWVRTJ-ZDUSSCGKSA-N 0 3 244.379 0.659 20 0 BCADHN Cc1[nH]ncc1CN1CC(=O)N(C)C[C@@H]1C ZINC000783735107 585841159 /nfs/dbraw/zinc/84/11/59/585841159.db2.gz YWMHJBRZLFICEP-QMMMGPOBSA-N 0 3 222.292 0.381 20 0 BCADHN Cn1cccc1CN1C[C@@H]2C[C@]2(CO)C1 ZINC000783742409 585841777 /nfs/dbraw/zinc/84/17/77/585841777.db2.gz OBVGZRKGBZUAEZ-CMPLNLGQSA-N 0 3 206.289 0.839 20 0 BCADHN Cn1cccc1CN1C[C@H]2C[C@@]2(CO)C1 ZINC000783742411 585841876 /nfs/dbraw/zinc/84/18/76/585841876.db2.gz OBVGZRKGBZUAEZ-PWSUYJOCSA-N 0 3 206.289 0.839 20 0 BCADHN CN(C)C1(CNC(=O)C2=COCC2)CCC1 ZINC000783756416 585842111 /nfs/dbraw/zinc/84/21/11/585842111.db2.gz XMHSNMJUIIKXRN-UHFFFAOYSA-N 0 3 224.304 0.891 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H](O)C(C)(C)C)CCC1 ZINC000783753177 585842252 /nfs/dbraw/zinc/84/22/52/585842252.db2.gz KRCMILXGLVGAGQ-SNVBAGLBSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@H](C(=O)N1C[C@@H]2C[C@]2(CO)C1)N(C)C ZINC000783795576 585843563 /nfs/dbraw/zinc/84/35/63/585843563.db2.gz RIJNRPJGADXLTK-DMDPSCGWSA-N 0 3 240.347 0.413 20 0 BCADHN CO[C@@H]1CN(CCN2CCOC2=O)CC[C@@H]1C ZINC000784366674 585857594 /nfs/dbraw/zinc/85/75/94/585857594.db2.gz PVBUNLBUMHTHQI-WDEREUQCSA-N 0 3 242.319 0.795 20 0 BCADHN CO[C@@H]1CN(CCN2CCOC2=O)CC[C@H]1C ZINC000784366667 585857674 /nfs/dbraw/zinc/85/76/74/585857674.db2.gz PVBUNLBUMHTHQI-GHMZBOCLSA-N 0 3 242.319 0.795 20 0 BCADHN CC[C@@]1(CO)CCCN1CC1OCCO1 ZINC000784387466 585857876 /nfs/dbraw/zinc/85/78/76/585857876.db2.gz ADZMVYKHINKXQZ-NSHDSACASA-N 0 3 215.293 0.596 20 0 BCADHN CN(CCS(N)(=O)=O)C[C@H]1CC=CCC1 ZINC000784384154 585857958 /nfs/dbraw/zinc/85/79/58/585857958.db2.gz CJSPWIDNOFVJFC-JTQLQIEISA-N 0 3 232.349 0.563 20 0 BCADHN CC(C)[C@H](F)C(=O)NCC1(O)CCN(C)CC1 ZINC000784423804 585859243 /nfs/dbraw/zinc/85/92/43/585859243.db2.gz PMHVJJDUELFEIK-JTQLQIEISA-N 0 3 246.326 0.553 20 0 BCADHN CON(C)C(=O)CN[C@]1(C)CCO[C@@H]1C1CC1 ZINC000784588733 585863966 /nfs/dbraw/zinc/86/39/66/585863966.db2.gz NTHXKBYEDVNYSU-VXGBXAGGSA-N 0 3 242.319 0.553 20 0 BCADHN CON(C)C(=O)CN[C@]1(C)CCO[C@H]1C1CC1 ZINC000784588731 585863976 /nfs/dbraw/zinc/86/39/76/585863976.db2.gz NTHXKBYEDVNYSU-NWDGAFQWSA-N 0 3 242.319 0.553 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC000785723449 585878935 /nfs/dbraw/zinc/87/89/35/585878935.db2.gz FYNZTGQLPXRRCK-SECBINFHSA-N 0 3 237.307 0.029 20 0 BCADHN Cn1ncc(C(=O)N2CC[C@H](N3CCCC3)C2)n1 ZINC000786065109 585886705 /nfs/dbraw/zinc/88/67/05/585886705.db2.gz IAKTXAFQRDJUCR-JTQLQIEISA-N 0 3 249.318 0.125 20 0 BCADHN Cc1cc(C(=O)NCCN2CCC[C@H]2C)cnn1 ZINC000786189935 585888390 /nfs/dbraw/zinc/88/83/90/585888390.db2.gz AMRRRBGAQQGNJZ-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN O=C1NCC[C@@H]1NCCc1ccc(F)c(F)c1 ZINC000786789373 585897253 /nfs/dbraw/zinc/89/72/53/585897253.db2.gz RQIVUMVJQFQYHY-NSHDSACASA-N 0 3 240.253 0.985 20 0 BCADHN C[C@@H](NCCO)c1ccc(N2CCNC2=O)cc1 ZINC000786785556 585897364 /nfs/dbraw/zinc/89/73/64/585897364.db2.gz ZQWMDFDUUWRVJG-SNVBAGLBSA-N 0 3 249.314 0.859 20 0 BCADHN O=C(CCCC[NH+]1CCCC1)[N-]OCCO ZINC000787287175 585905138 /nfs/dbraw/zinc/90/51/38/585905138.db2.gz RRXOCGLYZNEIFS-UHFFFAOYSA-N 0 3 230.308 0.293 20 0 BCADHN COC(=O)[C@@H]1CCN(CCC(C)=O)[C@@H]1C ZINC000787327014 585907361 /nfs/dbraw/zinc/90/73/61/585907361.db2.gz LCRQMRNVDKCVOB-NXEZZACHSA-N 0 3 213.277 0.849 20 0 BCADHN COC(=O)[C@H]1[C@H](CNCC2(CO)CC2)C1(F)F ZINC000787773342 585915609 /nfs/dbraw/zinc/91/56/09/585915609.db2.gz FWMIIJSHHNYFQM-JGVFFNPUSA-N 0 3 249.257 0.403 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CNCC2(CO)CC2)C1(F)F ZINC000787773343 585915622 /nfs/dbraw/zinc/91/56/22/585915622.db2.gz FWMIIJSHHNYFQM-SFYZADRCSA-N 0 3 249.257 0.403 20 0 BCADHN CCN(CCNC(=O)c1nccc(N)n1)C1CC1 ZINC000787923579 585917584 /nfs/dbraw/zinc/91/75/84/585917584.db2.gz PMVCAOHPBOLLLC-UHFFFAOYSA-N 0 3 249.318 0.103 20 0 BCADHN CNC(=O)c1cc(N2CCCN(C)CC2)ccn1 ZINC000788444623 585923885 /nfs/dbraw/zinc/92/38/85/585923885.db2.gz HVZOBQKVFOPSGX-UHFFFAOYSA-N 0 3 248.330 0.583 20 0 BCADHN CC[C@H](N[C@H]1CCC(=O)NC1=O)[C@H]1CCCO1 ZINC000788488972 585925540 /nfs/dbraw/zinc/92/55/40/585925540.db2.gz NECBDBRLSABDNM-LPEHRKFASA-N 0 3 240.303 0.339 20 0 BCADHN COCCONC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000789043256 585934160 /nfs/dbraw/zinc/93/41/60/585934160.db2.gz ZNKBRPVKKFVZKP-VHSXEESVSA-N 0 3 245.323 0.346 20 0 BCADHN c1nncn1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000789513219 585943446 /nfs/dbraw/zinc/94/34/46/585943446.db2.gz KEMCKUWVYHGQOL-WDEREUQCSA-N 0 3 222.292 0.879 20 0 BCADHN C/C=C(/CC)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000789847938 585951749 /nfs/dbraw/zinc/95/17/49/585951749.db2.gz PQQWBZXJNUOWTM-JOTVYFQTSA-N 0 3 226.320 0.526 20 0 BCADHN OCc1nc(SCC[NH+]2CCCC2)n[n-]1 ZINC000789969632 585954919 /nfs/dbraw/zinc/95/49/19/585954919.db2.gz HACJAGRKNCOUHL-UHFFFAOYSA-N 0 3 228.321 0.485 20 0 BCADHN COC/C=C\C(=O)NC1CCN(C2CC2)CC1 ZINC000791308226 585976681 /nfs/dbraw/zinc/97/66/81/585976681.db2.gz KYRCGZZOOAJSGI-IHWYPQMZSA-N 0 3 238.331 0.932 20 0 BCADHN COC/C=C/C(=O)N1CCC[C@H](N(C)C)C1 ZINC000791346501 585978072 /nfs/dbraw/zinc/97/80/72/585978072.db2.gz GUERNIQYGBXIOW-ZRQQLDRUSA-N 0 3 226.320 0.742 20 0 BCADHN COC/C=C\C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000791372375 585979355 /nfs/dbraw/zinc/97/93/55/585979355.db2.gz ZCBKVLASROYCGN-GKKDLHFNSA-N 0 3 240.347 0.988 20 0 BCADHN COC(=O)[C@H]1CC[C@H](NCc2cncn2C)C1 ZINC000792196944 585997425 /nfs/dbraw/zinc/99/74/25/585997425.db2.gz NGVUEKSWTIHTJL-UWVGGRQHSA-N 0 3 237.303 0.851 20 0 BCADHN C[C@@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)C[C@@H]1O ZINC000792269125 585998731 /nfs/dbraw/zinc/99/87/31/585998731.db2.gz PHIVGHYYBKOTSF-MXWKQRLJSA-N 0 3 239.315 0.785 20 0 BCADHN C[C@@H](O)COC(=O)C1CCN(C2CC2)CC1 ZINC000792309321 585999670 /nfs/dbraw/zinc/99/96/70/585999670.db2.gz ZCSGRQWLYCQATL-SECBINFHSA-N 0 3 227.304 0.785 20 0 BCADHN C[C@H](O)COC(=O)C1CCN(C2CC2)CC1 ZINC000792309322 585999806 /nfs/dbraw/zinc/99/98/06/585999806.db2.gz ZCSGRQWLYCQATL-VIFPVBQESA-N 0 3 227.304 0.785 20 0 BCADHN O=C(NCCO)C1CCN(CC2(F)CC2)CC1 ZINC000792787449 586005348 /nfs/dbraw/zinc/00/53/48/586005348.db2.gz OBTMSQYOIBQOGH-UHFFFAOYSA-N 0 3 244.310 0.309 20 0 BCADHN CC(=O)NCCCN[C@H](C)c1cc(C)nn1C ZINC000793513435 586021011 /nfs/dbraw/zinc/02/10/11/586021011.db2.gz BKNKIRYIUNDNHD-SNVBAGLBSA-N 0 3 238.335 0.905 20 0 BCADHN Cc1cc([C@H](C)NC[C@H]2COCCO2)n(C)n1 ZINC000793523990 586021628 /nfs/dbraw/zinc/02/16/28/586021628.db2.gz RALHCXKCTMOUSH-QWRGUYRKSA-N 0 3 239.319 0.795 20 0 BCADHN COCC[C@H](CO)N[C@@H](C)c1cc(C)nn1C ZINC000793566125 586023324 /nfs/dbraw/zinc/02/33/24/586023324.db2.gz MJDPKMZUPPZUHT-WDEREUQCSA-N 0 3 241.335 0.777 20 0 BCADHN C[C@@H]1CN(C(=O)CCc2cnc[nH]2)CCN1C ZINC000793576193 586023332 /nfs/dbraw/zinc/02/33/32/586023332.db2.gz YPKADUPNSGHNDS-SNVBAGLBSA-N 0 3 236.319 0.505 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)CC1OCCO1 ZINC000793835822 586027663 /nfs/dbraw/zinc/02/76/63/586027663.db2.gz VQYGCARRKMJAND-UHFFFAOYSA-N 0 3 242.319 0.302 20 0 BCADHN CCN(CC)CC(=O)N[C@@]1(C)CCOC1=O ZINC000794086635 586031044 /nfs/dbraw/zinc/03/10/44/586031044.db2.gz TVWUBQVQJKTCSQ-NSHDSACASA-N 0 3 228.292 0.150 20 0 BCADHN CCCN(C)CC(=O)N[C@]1(C)CCOC1=O ZINC000794082364 586031431 /nfs/dbraw/zinc/03/14/31/586031431.db2.gz GAIQLTPXBHXAPJ-LLVKDONJSA-N 0 3 228.292 0.150 20 0 BCADHN O[C@@H](CN1CCN([C@@H]2CCOC2)CC1)C1CC1 ZINC000794555433 586043857 /nfs/dbraw/zinc/04/38/57/586043857.db2.gz LRAKLGSMXQFIGH-OLZOCXBDSA-N 0 3 240.347 0.164 20 0 BCADHN Cc1ccnc(CN2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000794947919 586057080 /nfs/dbraw/zinc/05/70/80/586057080.db2.gz DOEVCRNWTOPAQV-RYUDHWBXSA-N 0 3 232.331 0.921 20 0 BCADHN CCCCOC(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000794947705 586057264 /nfs/dbraw/zinc/05/72/64/586057264.db2.gz CHHUXQBLIGDFNX-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CCCOC(=O)[C@H](C)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000794950680 586057407 /nfs/dbraw/zinc/05/74/07/586057407.db2.gz ZGQRSXIDZDUEIH-TUAOUCFPSA-N 0 3 240.347 0.964 20 0 BCADHN CCC(=O)CCN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794963596 586058500 /nfs/dbraw/zinc/05/85/00/586058500.db2.gz HEGXNEXBHIUVTO-URLYPYJESA-N 0 3 225.288 0.706 20 0 BCADHN COC(=O)CCCN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794968815 586059411 /nfs/dbraw/zinc/05/94/11/586059411.db2.gz LJNWBHGCXZFMRE-JZYVYDRUSA-N 0 3 241.287 0.290 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCOC3CCC3)C[C@@H]21 ZINC000794975040 586060269 /nfs/dbraw/zinc/06/02/69/586060269.db2.gz UVSXCNRBBMGKBY-GDNZZTSVSA-N 0 3 239.315 0.906 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCCn3ccnc3)C[C@@H]21 ZINC000794981400 586061311 /nfs/dbraw/zinc/06/13/11/586061311.db2.gz CQLBSSNIFQVAEL-GDNZZTSVSA-N 0 3 249.314 0.624 20 0 BCADHN C[C@@H](O)CN1CCN(c2ccncc2)[C@@H](C)C1 ZINC000795140556 586069193 /nfs/dbraw/zinc/06/91/93/586069193.db2.gz OVTQZSSHOUOQMN-NWDGAFQWSA-N 0 3 235.331 0.973 20 0 BCADHN C[C@H](O)CN1CCN(c2ccncc2)[C@@H](C)C1 ZINC000795140557 586069234 /nfs/dbraw/zinc/06/92/34/586069234.db2.gz OVTQZSSHOUOQMN-RYUDHWBXSA-N 0 3 235.331 0.973 20 0 BCADHN CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)N(C)C ZINC000795169610 586070392 /nfs/dbraw/zinc/07/03/92/586070392.db2.gz LKAYWWQWJYGJKH-AXFHLTTASA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H]1CC[C@@H]1NC(=S)NCCN(C)C ZINC000795166555 586070457 /nfs/dbraw/zinc/07/04/57/586070457.db2.gz QDCYASZJOCGQLO-IUCAKERBSA-N 0 3 215.366 0.811 20 0 BCADHN CN(C)CCSCCS(=O)(=O)N(C)C ZINC000795222626 586072486 /nfs/dbraw/zinc/07/24/86/586072486.db2.gz UVBISFXDOFPRAD-UHFFFAOYSA-N 0 3 240.394 0.173 20 0 BCADHN Cc1nccc(COC(=O)C2CCN(C)C2=O)n1 ZINC000795596708 586088216 /nfs/dbraw/zinc/08/82/16/586088216.db2.gz HYVMLVBSNNTCMI-JTQLQIEISA-N 0 3 249.270 0.307 20 0 BCADHN CCN1CCN(CCN2CCOC2=O)[C@H](C)C1 ZINC000796317347 586100464 /nfs/dbraw/zinc/10/04/64/586100464.db2.gz SBOQMUIAPLPTIA-LLVKDONJSA-N 0 3 241.335 0.465 20 0 BCADHN CN(C[C@@H]1CC2(CC2)C(=O)O1)C1(CO)CC1 ZINC000796503157 586105400 /nfs/dbraw/zinc/10/54/00/586105400.db2.gz WSQDJLDVPRPLQC-VIFPVBQESA-N 0 3 225.288 0.539 20 0 BCADHN CN(C[C@H]1CC2(CC2)C(=O)O1)C1(CO)CC1 ZINC000796503152 586105426 /nfs/dbraw/zinc/10/54/26/586105426.db2.gz WSQDJLDVPRPLQC-SECBINFHSA-N 0 3 225.288 0.539 20 0 BCADHN CCC(=O)CCN(CCO)[C@@H]1CCO[C@H]1C ZINC000796573974 586107030 /nfs/dbraw/zinc/10/70/30/586107030.db2.gz GENTUHOMENQVCT-CMPLNLGQSA-N 0 3 229.320 0.827 20 0 BCADHN CC(C)(NCc1cnc[nH]1)C(=O)N1CCCC1 ZINC000796584385 586107946 /nfs/dbraw/zinc/10/79/46/586107946.db2.gz LTLXWQZDAWLSPX-UHFFFAOYSA-N 0 3 236.319 0.900 20 0 BCADHN Cc1ccccc1[C@H](O)CN(C)CCC(N)=O ZINC000796596335 586108207 /nfs/dbraw/zinc/10/82/07/586108207.db2.gz UDFYCECWLKTMLK-GFCCVEGCSA-N 0 3 236.315 0.836 20 0 BCADHN CO[C@@H](C)CN(C)CCN(C)C[C@H](C)OC ZINC000796642907 586109200 /nfs/dbraw/zinc/10/92/00/586109200.db2.gz UMDASOQACUUBGR-RYUDHWBXSA-N 0 3 232.368 0.920 20 0 BCADHN CN(C)CCNC(=S)N[C@@H]1C[C@H]1C1CC1 ZINC000797408237 586126709 /nfs/dbraw/zinc/12/67/09/586126709.db2.gz KHFKTMLPZYZBKH-VHSXEESVSA-N 0 3 227.377 0.811 20 0 BCADHN C[S@@](=O)CCN1CCC[C@@H](CCC(N)=O)C1 ZINC000798194314 586139507 /nfs/dbraw/zinc/13/95/07/586139507.db2.gz AHOZFANNBLGTLJ-MGPLVRAMSA-N 0 3 246.376 0.342 20 0 BCADHN CN(C)[C@@H]1CCCN(CC[S@@](C)=O)C1 ZINC000798195650 586139848 /nfs/dbraw/zinc/13/98/48/586139848.db2.gz PAORQJXMIGMAOF-QMTHXVAHSA-N 0 3 218.366 0.391 20 0 BCADHN C[C@H](O)c1nnnn1CCN1CCCCC1 ZINC000798219945 586141267 /nfs/dbraw/zinc/14/12/67/586141267.db2.gz QSLYUJBWWWKJKB-VIFPVBQESA-N 0 3 225.296 0.212 20 0 BCADHN CN(C)CC1(NC(=O)c2ncccn2)CCC1 ZINC000798578055 586145414 /nfs/dbraw/zinc/14/54/14/586145414.db2.gz YPJGPOPJYACCHO-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN CC(C)[C@H](C(=O)OCCc1cn[nH]n1)N(C)C ZINC000798833938 586150773 /nfs/dbraw/zinc/15/07/73/586150773.db2.gz PWOOXDLQFLOCME-SNVBAGLBSA-N 0 3 240.307 0.477 20 0 BCADHN CC(C)[C@H](C(=O)OCCc1c[nH]nn1)N(C)C ZINC000798833938 586150774 /nfs/dbraw/zinc/15/07/74/586150774.db2.gz PWOOXDLQFLOCME-SNVBAGLBSA-N 0 3 240.307 0.477 20 0 BCADHN CN(C)CC1(NC(=O)CC2OCCO2)CCC1 ZINC000799039129 586154817 /nfs/dbraw/zinc/15/48/17/586154817.db2.gz YGNJYJCBCFZIEF-UHFFFAOYSA-N 0 3 242.319 0.350 20 0 BCADHN CN(C)CC1(NC(=O)[C@H](O)C(C)(C)C)CCC1 ZINC000799038073 586154859 /nfs/dbraw/zinc/15/48/59/586154859.db2.gz GIPPPMHSBILCFO-JTQLQIEISA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H]1CCCN([C@H]2CCC(=O)NC2=O)CC1 ZINC000799117259 586158322 /nfs/dbraw/zinc/15/83/22/586158322.db2.gz UKXWEGHTNGNMOY-UWVGGRQHSA-N 0 3 224.304 0.914 20 0 BCADHN CCN(CC1CC1)[C@@H]1CCC(=O)NC1=O ZINC000799122264 586158790 /nfs/dbraw/zinc/15/87/90/586158790.db2.gz ZFLCDKFNMPMXPD-SECBINFHSA-N 0 3 210.277 0.524 20 0 BCADHN CC[C@H]1CCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000799128545 586160533 /nfs/dbraw/zinc/16/05/33/586160533.db2.gz QKMRVVLOTWGKDS-DTWKUNHWSA-N 0 3 210.277 0.524 20 0 BCADHN CC(C)[C@H]1CCN([C@H]2CCC(=O)NC2=O)C1 ZINC000799128947 586160816 /nfs/dbraw/zinc/16/08/16/586160816.db2.gz VQLUJKOPEYWZRD-UWVGGRQHSA-N 0 3 224.304 0.770 20 0 BCADHN O=C1CC[C@@H](N2CC[C@@H](C3CC3)C2)C(=O)N1 ZINC000799147231 586161615 /nfs/dbraw/zinc/16/16/15/586161615.db2.gz KVWQMTOQLVUQRJ-NXEZZACHSA-N 0 3 222.288 0.524 20 0 BCADHN CON(C)C(=O)CCN1CCc2cn[nH]c2C1 ZINC000799144992 586162113 /nfs/dbraw/zinc/16/21/13/586162113.db2.gz RYHIWTGLVGPFPK-UHFFFAOYSA-N 0 3 238.291 0.178 20 0 BCADHN CON(C)C(=O)CCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000799146996 586162237 /nfs/dbraw/zinc/16/22/37/586162237.db2.gz DELZJUNKTWVPCF-MNOVXSKESA-N 0 3 243.351 0.421 20 0 BCADHN O=C1CC[C@@H](N2CC[C@H](C3CC3)C2)C(=O)N1 ZINC000799147233 586162274 /nfs/dbraw/zinc/16/22/74/586162274.db2.gz KVWQMTOQLVUQRJ-VHSXEESVSA-N 0 3 222.288 0.524 20 0 BCADHN CO[C@H]1CCCN([C@H]2CCC(=O)NC2=O)CC1 ZINC000799163942 586163051 /nfs/dbraw/zinc/16/30/51/586163051.db2.gz XHPPRNSWGKJACE-UWVGGRQHSA-N 0 3 240.303 0.293 20 0 BCADHN C[C@H]1CSCCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000799167823 586163958 /nfs/dbraw/zinc/16/39/58/586163958.db2.gz AFBNWAGXMLGAON-RKDXNWHRSA-N 0 3 242.344 0.477 20 0 BCADHN CN(C[C@@H](O)c1ccc(F)cn1)CC(C)(C)O ZINC000799302548 586170458 /nfs/dbraw/zinc/17/04/58/586170458.db2.gz PIUYYPXZWPNHJN-LLVKDONJSA-N 0 3 242.294 0.957 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)c1cccnn1 ZINC000859359948 589033732 /nfs/dbraw/zinc/03/37/32/589033732.db2.gz VGMFRIKZUCEMOK-NSHDSACASA-N 0 3 236.319 0.793 20 0 BCADHN CN(CCCCO)C[C@@H](O)c1ccc(F)cn1 ZINC000799322843 586171823 /nfs/dbraw/zinc/17/18/23/586171823.db2.gz NPFNYBSRFSFBAZ-GFCCVEGCSA-N 0 3 242.294 0.958 20 0 BCADHN CO[C@H]1CCN(CC2OCCO2)[C@@H](C)C1 ZINC000799343256 586172718 /nfs/dbraw/zinc/17/27/18/586172718.db2.gz CVSKUFBURTVHHS-UWVGGRQHSA-N 0 3 215.293 0.859 20 0 BCADHN CCN(CCC1OCCCO1)[C@@H]1CCNC1=O ZINC000799354888 586173519 /nfs/dbraw/zinc/17/35/19/586173519.db2.gz XGZJTUPCLJIBHW-SNVBAGLBSA-N 0 3 242.319 0.350 20 0 BCADHN CN(CCCO)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000799363761 586174665 /nfs/dbraw/zinc/17/46/65/586174665.db2.gz NSIUAOACKNDJSE-SNVBAGLBSA-N 0 3 227.304 0.786 20 0 BCADHN CSC1(COC(=O)C2CCN(C)C2=O)CC1 ZINC000799683917 586191766 /nfs/dbraw/zinc/19/17/66/586191766.db2.gz RPEDQZAYIWLREG-MRVPVSSYSA-N 0 3 243.328 0.904 20 0 BCADHN CSC1(COC(=O)C2CCN(C)C2=O)CC1 ZINC000799683919 586191807 /nfs/dbraw/zinc/19/18/07/586191807.db2.gz RPEDQZAYIWLREG-QMMMGPOBSA-N 0 3 243.328 0.904 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)c1cccnn1 ZINC000859359947 589033915 /nfs/dbraw/zinc/03/39/15/589033915.db2.gz VGMFRIKZUCEMOK-LLVKDONJSA-N 0 3 236.319 0.793 20 0 BCADHN CON(C)CCCN1CCN(C(C)C)CC1 ZINC000800330103 586211976 /nfs/dbraw/zinc/21/19/76/586211976.db2.gz SQPVVDHXAZIGDV-UHFFFAOYSA-N 0 3 229.368 0.896 20 0 BCADHN CN(CCOCCO)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000800507110 586223856 /nfs/dbraw/zinc/22/38/56/586223856.db2.gz KQKLIVKEENKDPW-JTQLQIEISA-N 0 3 243.303 0.023 20 0 BCADHN Cc1nn[nH]c1C(=O)NCCN1CCC[C@@H]1C ZINC000800694549 586227822 /nfs/dbraw/zinc/22/78/22/586227822.db2.gz NHUVZMLDVCCUPC-QMMMGPOBSA-N 0 3 237.307 0.327 20 0 BCADHN O[C@H]1CN(Cc2ccc(CF)cc2)C[C@@H]1O ZINC000859455273 589039194 /nfs/dbraw/zinc/03/91/94/589039194.db2.gz AQKDQAUKTFWHHW-RYUDHWBXSA-N 0 3 225.263 0.694 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(CCC(C)=O)C1 ZINC000859561798 589045560 /nfs/dbraw/zinc/04/55/60/589045560.db2.gz OPRILWCZPZZEDD-LLVKDONJSA-N 0 3 229.276 0.229 20 0 BCADHN C[C@H]1CCN(CN2CCC[C@H](N(C)C)C2)C1=O ZINC000840002688 586358170 /nfs/dbraw/zinc/35/81/70/586358170.db2.gz JFMQMUJPFMTOIE-RYUDHWBXSA-N 0 3 239.363 0.838 20 0 BCADHN OCCN1CCC[C@](O)(c2ccccc2)C1 ZINC000859585586 589047454 /nfs/dbraw/zinc/04/74/54/589047454.db2.gz AOOCJLDINLBCSJ-CYBMUJFWSA-N 0 3 221.300 0.962 20 0 BCADHN CN(C)C1(C(=O)NCCC2(O)CCC2)CCC1 ZINC000803703016 586370010 /nfs/dbraw/zinc/37/00/10/586370010.db2.gz FXOVCWJUNKEJFJ-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN C[C@H](OC(=O)CC[C@H]1CCCCN1C)C(N)=O ZINC000803854243 586377394 /nfs/dbraw/zinc/37/73/94/586377394.db2.gz MGHMRYGOYURRKA-VHSXEESVSA-N 0 3 242.319 0.668 20 0 BCADHN C[C@H](O)CN[C@H](CO)C[C@H](O)c1ccccc1 ZINC000843106653 586384934 /nfs/dbraw/zinc/38/49/34/586384934.db2.gz KPNPAMZYSVEUGV-DRZSPHRISA-N 0 3 239.315 0.441 20 0 BCADHN CC1(C)OC[C@H](CCN2CCC[C@H]2C(N)=O)O1 ZINC000859664144 589053159 /nfs/dbraw/zinc/05/31/59/589053159.db2.gz ZXKCYFPMYCRGRJ-UWVGGRQHSA-N 0 3 242.319 0.478 20 0 BCADHN CC(C)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000806570465 586414691 /nfs/dbraw/zinc/41/46/91/586414691.db2.gz AGCYDSUZKMGNDU-ZETCQYMHSA-N 0 3 220.294 0.050 20 0 BCADHN Cn1nncc1CN[C@@H]1CCC12CCOCC2 ZINC000806659747 586415783 /nfs/dbraw/zinc/41/57/83/586415783.db2.gz DLUGBUZJRZXLQH-LLVKDONJSA-N 0 3 236.319 0.864 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@](C)(CO)C1CC1 ZINC000807576698 586446574 /nfs/dbraw/zinc/44/65/74/586446574.db2.gz WBHPQUHPYKELEV-JOYOIKCWSA-N 0 3 243.351 0.397 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1C(=O)OCC1(C)C ZINC000808105538 586463928 /nfs/dbraw/zinc/46/39/28/586463928.db2.gz ILOGWGAHPPUVRB-SNVBAGLBSA-N 0 3 242.319 0.394 20 0 BCADHN C/C(=C/C(=O)N[C@@H](CO)CN(C)C)C1CC1 ZINC000808170611 586466075 /nfs/dbraw/zinc/46/60/75/586466075.db2.gz QBJWVEPNNZSRDY-DHHDDZJSSA-N 0 3 226.320 0.381 20 0 BCADHN CC(C(=O)N[C@H](CO)CN(C)C)=C1CCCC1 ZINC000808172749 586466304 /nfs/dbraw/zinc/46/63/04/586466304.db2.gz UVSARJPKQJIUJR-LBPRGKRZSA-N 0 3 240.347 0.916 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1C[C@H](C)OC1=O ZINC000808207056 586467799 /nfs/dbraw/zinc/46/77/99/586467799.db2.gz MOWZWORITXWAFR-IUCAKERBSA-N 0 3 228.292 0.148 20 0 BCADHN CC/C=C(\C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000808224174 586468355 /nfs/dbraw/zinc/46/83/55/586468355.db2.gz QHYLKVBFTHUNMJ-IGEMTJHASA-N 0 3 240.347 0.916 20 0 BCADHN Cn1cnc(CN[C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000808391768 586471253 /nfs/dbraw/zinc/47/12/53/586471253.db2.gz QTMZJFKFXMTUQL-NXEZZACHSA-N 0 3 236.319 0.554 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCOCC[C@H]1C ZINC000808744264 586486607 /nfs/dbraw/zinc/48/66/07/586486607.db2.gz JRWBPRQHBIIDCV-KOLCDFICSA-N 0 3 231.292 0.021 20 0 BCADHN O=C1CC[C@@H](N2CCC[C@@H](C3CC3)C2)C(=O)N1 ZINC000808776687 586489480 /nfs/dbraw/zinc/48/94/80/586489480.db2.gz MDJMELZDHSYRIL-GHMZBOCLSA-N 0 3 236.315 0.914 20 0 BCADHN O=C1CC[C@H](N2CCC[C@@H](C3CC3)C2)C(=O)N1 ZINC000808776690 586489953 /nfs/dbraw/zinc/48/99/53/586489953.db2.gz MDJMELZDHSYRIL-MNOVXSKESA-N 0 3 236.315 0.914 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1cn(C)nn1 ZINC000809169376 586500427 /nfs/dbraw/zinc/50/04/27/586500427.db2.gz VHCKWLYZKOLEPX-VIFPVBQESA-N 0 3 237.307 0.029 20 0 BCADHN CC(C)c1nccc(N[C@H](CO)CN(C)C)n1 ZINC000809341174 586503511 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HVJDFELBJSJHRY-LLVKDONJSA-N 0 3 244.335 0.489 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3nccn3C)[C@@H]2C1 ZINC000813820762 586606875 /nfs/dbraw/zinc/60/68/75/586606875.db2.gz KBOMLRHDURUIQB-NXEZZACHSA-N 0 3 234.303 0.196 20 0 BCADHN CN1C[C@H]2CCN(C(=O)N3CCCC3)[C@@H]2C1 ZINC000813821068 586606914 /nfs/dbraw/zinc/60/69/14/586606914.db2.gz ODSKATWTDNCSKC-GHMZBOCLSA-N 0 3 223.320 0.838 20 0 BCADHN CC[C@@H](C)CONC(=O)NCCN(C)C ZINC000813833366 586607695 /nfs/dbraw/zinc/60/76/95/586607695.db2.gz VQXRTEXHVAYWFB-SECBINFHSA-N 0 3 217.313 0.825 20 0 BCADHN CC(C)OCCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000814143698 586614710 /nfs/dbraw/zinc/61/47/10/586614710.db2.gz AZGWBVWSULUHSE-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3=COCCO3)[C@H]2C1 ZINC000814145022 586614740 /nfs/dbraw/zinc/61/47/40/586614740.db2.gz JZLJWKYBNQNLBZ-ZJUUUORDSA-N 0 3 238.287 0.037 20 0 BCADHN CC(C)[C@@H](O)CNC(C)(C)C(=O)N1CCCC1 ZINC000814635116 586626844 /nfs/dbraw/zinc/62/68/44/586626844.db2.gz 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ZINC000860051806 589077468 /nfs/dbraw/zinc/07/74/68/589077468.db2.gz RZVXEAQVEPIDLV-ZCFIWIBFSA-N 0 3 242.304 0.379 20 0 BCADHN CN1CC[C@](O)(CNC(=O)C(F)=C2CCC2)C1 ZINC000819497878 586970198 /nfs/dbraw/zinc/97/01/98/586970198.db2.gz QVPVHFLECSLBNB-LBPRGKRZSA-N 0 3 242.294 0.577 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)C(F)=C2CCC2)C1 ZINC000819497877 586970508 /nfs/dbraw/zinc/97/05/08/586970508.db2.gz QVPVHFLECSLBNB-GFCCVEGCSA-N 0 3 242.294 0.577 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)/C=C\[C@H]1CCCO1 ZINC000819533275 586974296 /nfs/dbraw/zinc/97/42/96/586974296.db2.gz IGTAGRKSVDTWRH-QIAMSNJGSA-N 0 3 226.320 0.788 20 0 BCADHN CN(C)C1(CNC(=O)/C=C\[C@@H]2CCCO2)CC1 ZINC000819577200 586980028 /nfs/dbraw/zinc/98/00/28/586980028.db2.gz XGKSFSMUTSXLON-GZTOBOFZSA-N 0 3 238.331 0.932 20 0 BCADHN CO[C@H](C)CC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000819717521 586987859 /nfs/dbraw/zinc/98/78/59/586987859.db2.gz HBQVATIUBBJUEQ-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN O[C@H](CN1CC[C@@H]2CC[C@@H](O)[C@@H]21)c1ccccn1 ZINC000860131454 589081240 /nfs/dbraw/zinc/08/12/40/589081240.db2.gz LQKNMUJEAHGFQG-IGHBBLSQSA-N 0 3 248.326 0.960 20 0 BCADHN COC(OC)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000820233765 587037064 /nfs/dbraw/zinc/03/70/64/587037064.db2.gz UUDNNBJYSAQNHW-UWVGGRQHSA-N 0 3 244.335 0.404 20 0 BCADHN C[C@@H](CNC(=O)c1cncc(C=O)c1)CN(C)C ZINC000820248267 587038261 /nfs/dbraw/zinc/03/82/61/587038261.db2.gz YXTJMGWVDSLQSL-JTQLQIEISA-N 0 3 249.314 0.822 20 0 BCADHN CCn1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)nn1 ZINC000820271489 587040040 /nfs/dbraw/zinc/04/00/40/587040040.db2.gz GTJDRDHYFJFJLF-GXSJLCMTSA-N 0 3 249.318 0.074 20 0 BCADHN C[C@H]1CN(C(=O)CN2CCCC2)CCN1C ZINC000820295808 587042091 /nfs/dbraw/zinc/04/20/91/587042091.db2.gz OEVCGGFVXMFQQQ-NSHDSACASA-N 0 3 225.336 0.245 20 0 BCADHN CN(C)CCN(C)C(=O)c1cnc(Cl)n1C ZINC000820525716 587052576 /nfs/dbraw/zinc/05/25/76/587052576.db2.gz IOEHYIRIDFTJQB-UHFFFAOYSA-N 0 3 244.726 0.707 20 0 BCADHN Cc1cc(C)n(CCN2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC000860159232 589083712 /nfs/dbraw/zinc/08/37/12/589083712.db2.gz ACLZTSKWANRRNS-VXGBXAGGSA-N 0 3 249.314 0.605 20 0 BCADHN COC(OC)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000820721309 587068638 /nfs/dbraw/zinc/06/86/38/587068638.db2.gz QYYPYMQASUNTRL-RKDXNWHRSA-N 0 3 242.319 0.347 20 0 BCADHN C[C@H](NCC1(CO)CC1)c1cnnn1C ZINC000820812441 587072858 /nfs/dbraw/zinc/07/28/58/587072858.db2.gz KZYZLNBOXQLYTF-QMMMGPOBSA-N 0 3 210.281 0.238 20 0 BCADHN C[C@@H](CN[C@@H](C)c1cnnn1C)C[C@H](C)O ZINC000820811380 587074118 /nfs/dbraw/zinc/07/41/18/587074118.db2.gz PMEYYAZXIHOPHU-UTLUCORTSA-N 0 3 226.324 0.873 20 0 BCADHN C[C@@H](NCCc1ccnn1C)c1cnnn1C ZINC000820841007 587076316 /nfs/dbraw/zinc/07/63/16/587076316.db2.gz GEMYFBQZHYVHOP-SECBINFHSA-N 0 3 234.307 0.442 20 0 BCADHN C[C@H](NCCC1(C)OCCO1)c1cnnn1C ZINC000820841685 587076610 /nfs/dbraw/zinc/07/66/10/587076610.db2.gz OCDBSLGDULFGLN-VIFPVBQESA-N 0 3 240.307 0.619 20 0 BCADHN O=C1OC[C@@H]2CN(Cc3ccncc3)C[C@H]12 ZINC000860160030 589084178 /nfs/dbraw/zinc/08/41/78/589084178.db2.gz VFAWOUGACVMDBT-QWRGUYRKSA-N 0 3 218.256 0.686 20 0 BCADHN O=C1OC[C@@H]2CN(CCOCC3CCC3)C[C@H]12 ZINC000860168269 589085294 /nfs/dbraw/zinc/08/52/94/589085294.db2.gz RTUBVWLSUWPLIC-RYUDHWBXSA-N 0 3 239.315 0.908 20 0 BCADHN O=C1OC[C@H]2CN(C[C@@H](O)c3ccccn3)C[C@@H]12 ZINC000860168007 589085594 /nfs/dbraw/zinc/08/55/94/589085594.db2.gz RCTCTVLYRCPOSY-CKYFFXLPSA-N 0 3 248.282 0.220 20 0 BCADHN CC(=O)N1C[C@H]2CN(CCn3cccn3)C[C@H]2C1 ZINC000821328636 587107541 /nfs/dbraw/zinc/10/75/41/587107541.db2.gz MJCDNDKTWFVPES-BETUJISGSA-N 0 3 248.330 0.293 20 0 BCADHN CC(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000821328876 587108128 /nfs/dbraw/zinc/10/81/28/587108128.db2.gz RXIQCGUHUCPZDM-OKILXGFUSA-N 0 3 245.326 0.992 20 0 BCADHN CC(=O)N1C[C@H]2CN(Cc3ccncc3)C[C@H]2C1 ZINC000821332290 587108543 /nfs/dbraw/zinc/10/85/43/587108543.db2.gz NYCHUJZSZBEDOP-OKILXGFUSA-N 0 3 245.326 0.992 20 0 BCADHN CC(C)N(CCO)C[C@H]1CCC(=O)O1 ZINC000821362507 587111713 /nfs/dbraw/zinc/11/17/13/587111713.db2.gz KEMOJAGQBZRNBZ-SECBINFHSA-N 0 3 201.266 0.395 20 0 BCADHN CO[C@@H]1CC[C@@H](N(C)CC(=O)N(C)C)C1 ZINC000821347358 587110524 /nfs/dbraw/zinc/11/05/24/587110524.db2.gz FQVSYAAOMMNURU-NXEZZACHSA-N 0 3 214.309 0.574 20 0 BCADHN CN(C[C@H]1CCC(=O)O1)C[C@@H]1CCCO1 ZINC000821354650 587111291 /nfs/dbraw/zinc/11/12/91/587111291.db2.gz IKJFHQHZGCPXEE-VHSXEESVSA-N 0 3 213.277 0.803 20 0 BCADHN CN(C[C@@H]1CCC(=O)O1)CC(C)(C)O ZINC000821379267 587114333 /nfs/dbraw/zinc/11/43/33/587114333.db2.gz CTKSHOSUTZHWPF-QMMMGPOBSA-N 0 3 201.266 0.395 20 0 BCADHN C[C@]1(O)CCCN(C[C@H]2CCC(=O)O2)C1 ZINC000821402158 587117095 /nfs/dbraw/zinc/11/70/95/587117095.db2.gz NLRZTQWIQSBBTF-KOLCDFICSA-N 0 3 213.277 0.539 20 0 BCADHN CN(CC(=O)N[C@H](CO)C1CC1)CC(C)(C)C ZINC000821497362 587122921 /nfs/dbraw/zinc/12/29/21/587122921.db2.gz LITXWWPWNBCAOG-LLVKDONJSA-N 0 3 242.363 0.851 20 0 BCADHN CN(CC[NH+](C)C)c1ccc(-c2nnn[n-]2)cn1 ZINC000821584693 587130457 /nfs/dbraw/zinc/13/04/57/587130457.db2.gz OQAMOIATRRYZSN-UHFFFAOYSA-N 0 3 247.306 0.260 20 0 BCADHN CN(C)[C@@H]1[C@H]2CN(C(=O)c3cc(=O)cc[nH]3)C[C@H]21 ZINC000821754332 587137111 /nfs/dbraw/zinc/13/71/11/587137111.db2.gz ZHXOOMBWNGHQBY-IAZYJMLFSA-N 0 3 247.298 0.007 20 0 BCADHN C[C@H](O)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000821797932 587138740 /nfs/dbraw/zinc/13/87/40/587138740.db2.gz UIVNNXDGNQIFRD-QWRGUYRKSA-N 0 3 226.320 0.312 20 0 BCADHN C[N@@H+]1CC[C@H](CC(=O)[N-]OCC(F)F)C1 ZINC000821939225 587147817 /nfs/dbraw/zinc/14/78/17/587147817.db2.gz YQPCOIYBVOWTGX-SSDOTTSWSA-N 0 3 222.235 0.641 20 0 BCADHN C[N@H+]1CC[C@H](CC(=O)[N-]OCC(F)F)C1 ZINC000821939225 587147818 /nfs/dbraw/zinc/14/78/18/587147818.db2.gz YQPCOIYBVOWTGX-SSDOTTSWSA-N 0 3 222.235 0.641 20 0 BCADHN CCC[C@@H](CC)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000821955676 587147912 /nfs/dbraw/zinc/14/79/12/587147912.db2.gz VTPQVBDZGMGAET-YPMHNXCESA-N 0 3 242.363 0.996 20 0 BCADHN C[N@@H+]1CC[C@H](CC(=O)[N-]OC2CCOCC2)C1 ZINC000822055056 587150605 /nfs/dbraw/zinc/15/06/05/587150605.db2.gz JSLZPAMADZLXAM-SNVBAGLBSA-N 0 3 242.319 0.555 20 0 BCADHN C[N@H+]1CC[C@H](CC(=O)[N-]OC2CCOCC2)C1 ZINC000822055056 587150606 /nfs/dbraw/zinc/15/06/06/587150606.db2.gz JSLZPAMADZLXAM-SNVBAGLBSA-N 0 3 242.319 0.555 20 0 BCADHN C[N@@H+]1CC[C@H](CC(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC000822348099 587163750 /nfs/dbraw/zinc/16/37/50/587163750.db2.gz IXOWVQQZAPNCJD-GHMZBOCLSA-N 0 3 242.319 0.413 20 0 BCADHN C[N@H+]1CC[C@H](CC(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC000822348099 587163751 /nfs/dbraw/zinc/16/37/51/587163751.db2.gz IXOWVQQZAPNCJD-GHMZBOCLSA-N 0 3 242.319 0.413 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCC=CO1)N(C)C ZINC000822456566 587169460 /nfs/dbraw/zinc/16/94/60/587169460.db2.gz AUYNIZAFOGSRMD-NXEZZACHSA-N 0 3 212.293 0.745 20 0 BCADHN CN(C)c1ncc(CN[C@@H](CO)C2CC2)n1C ZINC000822456857 587169494 /nfs/dbraw/zinc/16/94/94/587169494.db2.gz WGLXRGIYSCKAPF-NSHDSACASA-N 0 3 238.335 0.347 20 0 BCADHN CCN1CCCN(C(=O)[C@H]2CCOC2)[C@@H](C)C1 ZINC000822568231 587175316 /nfs/dbraw/zinc/17/53/16/587175316.db2.gz BEYQWNAPNIKVQI-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CCN1CCCN(C(=O)[C@@H]2CCOC2)[C@@H](C)C1 ZINC000822568230 587175573 /nfs/dbraw/zinc/17/55/73/587175573.db2.gz BEYQWNAPNIKVQI-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CCN1CCCN(C(=O)[C@H]2CCOC2)[C@H](C)C1 ZINC000822568229 587175667 /nfs/dbraw/zinc/17/56/67/587175667.db2.gz BEYQWNAPNIKVQI-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN O=C(CN1CCCC1)N1CC([C@H]2CCOC2)C1 ZINC000822578377 587175914 /nfs/dbraw/zinc/17/59/14/587175914.db2.gz LLFFQHXRIMGUAM-NSHDSACASA-N 0 3 238.331 0.577 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000822923378 587193333 /nfs/dbraw/zinc/19/33/33/587193333.db2.gz CSBIQNOOSDICRT-WZRBSPASSA-N 0 3 240.347 0.889 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000822923376 587193578 /nfs/dbraw/zinc/19/35/78/587193578.db2.gz CSBIQNOOSDICRT-GMXVVIOVSA-N 0 3 240.347 0.889 20 0 BCADHN CC[C@@](C)(O)C(=O)NCC1(N(C)C)CC1 ZINC000822931281 587194164 /nfs/dbraw/zinc/19/41/64/587194164.db2.gz LGKMKGZTTFMVPN-SNVBAGLBSA-N 0 3 214.309 0.358 20 0 BCADHN OC[C@@]12C[C@@H]1CN(C[C@@H](O)Cc1ccccc1)C2 ZINC000822942111 587195054 /nfs/dbraw/zinc/19/50/54/587195054.db2.gz RFUYMWKWNGJROJ-ILXRZTDVSA-N 0 3 247.338 0.904 20 0 BCADHN CCC[C@H](O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000823132253 587204353 /nfs/dbraw/zinc/20/43/53/587204353.db2.gz BYEWKOIIQYWCAI-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN c1cc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)ncn1 ZINC000823172519 587206587 /nfs/dbraw/zinc/20/65/87/587206587.db2.gz SDHCIYWBGXLLKW-VDAHYXPESA-N 0 3 229.243 0.950 20 0 BCADHN CC[C@H]1CN(C)CCN1CCC(=O)N(C)OC ZINC000823194911 587207383 /nfs/dbraw/zinc/20/73/83/587207383.db2.gz KGQPSZSQVFMLTL-NSHDSACASA-N 0 3 243.351 0.422 20 0 BCADHN CCc1nc(CNC(=O)CN2CCCC2)n[nH]1 ZINC000823218279 587209037 /nfs/dbraw/zinc/20/90/37/587209037.db2.gz CSNDTRHQEXDZTR-UHFFFAOYSA-N 0 3 237.307 0.079 20 0 BCADHN C[N@@H+]1CC[C@H](CC(=O)[N-]OC(C)(C)CO)C1 ZINC000823301650 587214982 /nfs/dbraw/zinc/21/49/82/587214982.db2.gz GVFLASXDWPCOPD-SECBINFHSA-N 0 3 230.308 0.147 20 0 BCADHN C[N@H+]1CC[C@H](CC(=O)[N-]OC(C)(C)CO)C1 ZINC000823301650 587214983 /nfs/dbraw/zinc/21/49/83/587214983.db2.gz GVFLASXDWPCOPD-SECBINFHSA-N 0 3 230.308 0.147 20 0 BCADHN CO[C@@H](C)Cc1nc(N2CCNCC2)no1 ZINC000823334683 587216641 /nfs/dbraw/zinc/21/66/41/587216641.db2.gz JNEUAXJDSPAQAM-QMMMGPOBSA-N 0 3 226.280 0.057 20 0 BCADHN Cc1ocnc1-c1nc(N2CCNCC2)no1 ZINC000823335352 587216768 /nfs/dbraw/zinc/21/67/68/587216768.db2.gz SDOAQQJSUXWZTE-UHFFFAOYSA-N 0 3 235.247 0.443 20 0 BCADHN CCC1(c2nc(N3CCNCC3)no2)COC1 ZINC000823334858 587216921 /nfs/dbraw/zinc/21/69/21/587216921.db2.gz NHSWOGROEZLJNT-UHFFFAOYSA-N 0 3 238.291 0.157 20 0 BCADHN CS/C=C/c1nc(N2CCNCC2)no1 ZINC000823334540 587216991 /nfs/dbraw/zinc/21/69/91/587216991.db2.gz HHRAZJLXNQSIPN-FARCUNLSSA-N 0 3 226.305 0.813 20 0 BCADHN Cc1cc(Cc2nc(N3CCNCC3)no2)n[nH]1 ZINC000823335785 587217153 /nfs/dbraw/zinc/21/71/53/587217153.db2.gz XXVOXKSSVPHDEJ-UHFFFAOYSA-N 0 3 248.290 0.102 20 0 BCADHN Cc1cc(Cc2nc(N3CCNCC3)no2)[nH]n1 ZINC000823335785 587217154 /nfs/dbraw/zinc/21/71/54/587217154.db2.gz XXVOXKSSVPHDEJ-UHFFFAOYSA-N 0 3 248.290 0.102 20 0 BCADHN CC(C)[C@H](CO)O[N-]C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000823381313 587219099 /nfs/dbraw/zinc/21/90/99/587219099.db2.gz OLAXKSFCJGFVQP-QWRGUYRKSA-N 0 3 244.335 0.393 20 0 BCADHN CC(C)[C@H](CO)O[N-]C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000823381313 587219100 /nfs/dbraw/zinc/21/91/00/587219100.db2.gz OLAXKSFCJGFVQP-QWRGUYRKSA-N 0 3 244.335 0.393 20 0 BCADHN CC(=O)CCN1CCC[C@H](n2ccnn2)C1 ZINC000823473632 587224272 /nfs/dbraw/zinc/22/42/72/587224272.db2.gz BTZGMFUCWDELTK-NSHDSACASA-N 0 3 222.292 0.894 20 0 BCADHN COC(OC)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000823476379 587225156 /nfs/dbraw/zinc/22/51/56/587225156.db2.gz ZLNOROLRJXDVAK-JTQLQIEISA-N 0 3 244.335 0.546 20 0 BCADHN CN(CCNC(=O)Cc1ncc[nH]1)C1CC1 ZINC000823607686 587232619 /nfs/dbraw/zinc/23/26/19/587232619.db2.gz KLZQCPKJVFTGPE-UHFFFAOYSA-N 0 3 222.292 0.163 20 0 BCADHN C[C@@H](CNC(=O)CN1CCCC1)N(C)C ZINC000824041389 587250683 /nfs/dbraw/zinc/25/06/83/587250683.db2.gz KPBYXFVAHHVXLP-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN CC[C@@H]1C[C@@H](NC2CN(C(=O)OC)C2)CCO1 ZINC000824012159 587247997 /nfs/dbraw/zinc/24/79/97/587247997.db2.gz QTOJHYIBAJGYMQ-GXSJLCMTSA-N 0 3 242.319 0.984 20 0 BCADHN COC(=O)N1CC(N[C@H]2CSC[C@@H]2C)C1 ZINC000824012061 587248288 /nfs/dbraw/zinc/24/82/88/587248288.db2.gz NSUBYACADWKJTG-CBAPKCEASA-N 0 3 230.333 0.778 20 0 BCADHN CCCO[N-]C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000824041628 587249052 /nfs/dbraw/zinc/24/90/52/587249052.db2.gz MQOVMSOLOZYGNW-VIFPVBQESA-N 0 3 200.282 0.786 20 0 BCADHN CCCO[N-]C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000824041628 587249053 /nfs/dbraw/zinc/24/90/53/587249053.db2.gz MQOVMSOLOZYGNW-VIFPVBQESA-N 0 3 200.282 0.786 20 0 BCADHN O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cnn[n-]1 ZINC000824101304 587255844 /nfs/dbraw/zinc/25/58/44/587255844.db2.gz ODWCGBCOOAAMST-DTORHVGOSA-N 0 3 235.291 0.161 20 0 BCADHN COc1nccc(CN[C@@](C)(CO)C2CC2)n1 ZINC000824104525 587256025 /nfs/dbraw/zinc/25/60/25/587256025.db2.gz XPJZUAFPMZUYFE-LBPRGKRZSA-N 0 3 237.303 0.736 20 0 BCADHN C[C@@H](CNC(=O)NOCC1CCC1)N(C)C ZINC000824111424 587256494 /nfs/dbraw/zinc/25/64/94/587256494.db2.gz JPFFBSOYIPSUEZ-VIFPVBQESA-N 0 3 229.324 0.967 20 0 BCADHN CCn1nc(C)c(CN[C@@H](C)CN(C)C)n1 ZINC000824383361 587268558 /nfs/dbraw/zinc/26/85/58/587268558.db2.gz NEWAJQDNTRRXQU-VIFPVBQESA-N 0 3 225.340 0.646 20 0 BCADHN CCn1nc(C)c(CN2C[C@@H]3CCN(C)[C@@H]3C2)n1 ZINC000824893731 587291994 /nfs/dbraw/zinc/29/19/94/587291994.db2.gz YXGDCBUPOCXKHR-WCQYABFASA-N 0 3 249.362 0.742 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000824895145 587292130 /nfs/dbraw/zinc/29/21/30/587292130.db2.gz RCNKLHCSRBHGMO-NQBHXWOUSA-N 0 3 238.331 0.622 20 0 BCADHN CCC[C@H](O)C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000824900554 587292803 /nfs/dbraw/zinc/29/28/03/587292803.db2.gz GIDOQFMGZYOKHR-WCQYABFASA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H](CCNC(=O)c1cncc(C=O)c1)N(C)C ZINC000824955348 587294409 /nfs/dbraw/zinc/29/44/09/587294409.db2.gz APNUMPLDBLHVNX-SNVBAGLBSA-N 0 3 249.314 0.964 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CCC=CO2)C[C@H]1O ZINC000825023575 587299031 /nfs/dbraw/zinc/29/90/31/587299031.db2.gz CZIJSSIJWAORBS-GMTAPVOTSA-N 0 3 213.277 0.371 20 0 BCADHN COC(=O)N1CC(N[C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000825357585 587316356 /nfs/dbraw/zinc/31/63/56/587316356.db2.gz IBJLGJWFEBBKKC-ONGXEEELSA-N 0 3 240.303 0.594 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2OC)C1 ZINC000825625081 587327873 /nfs/dbraw/zinc/32/78/73/587327873.db2.gz FNLWRIHCUXZYNI-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN CCN(CCNC(=O)[C@H]1CC(C)=NO1)C1CC1 ZINC000825900515 587344735 /nfs/dbraw/zinc/34/47/35/587344735.db2.gz LFOADABZSCHAMP-LLVKDONJSA-N 0 3 239.319 0.752 20 0 BCADHN CNCC(=O)NC[C@H]1COc2ccccc2C1 ZINC000825994638 587347933 /nfs/dbraw/zinc/34/79/33/587347933.db2.gz 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CC[N@H+]1CC[C@H](CN[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000827207210 587372683 /nfs/dbraw/zinc/37/26/83/587372683.db2.gz MBCNJZWQJLBKOI-MNOVXSKESA-N 0 3 241.335 0.670 20 0 BCADHN CC[N@@H+]1CC[C@H](NCCN(C)C(=O)[O-])[C@@H](C)C1 ZINC000827215786 587372947 /nfs/dbraw/zinc/37/29/47/587372947.db2.gz UTZJMYLWHPQQEK-QWRGUYRKSA-N 0 3 243.351 0.916 20 0 BCADHN CC[N@H+]1CC[C@H](NCCN(C)C(=O)[O-])[C@@H](C)C1 ZINC000827215786 587372948 /nfs/dbraw/zinc/37/29/48/587372948.db2.gz UTZJMYLWHPQQEK-QWRGUYRKSA-N 0 3 243.351 0.916 20 0 BCADHN CC[N@@H+]1CC[C@@H](NCCN(C)C(=O)[O-])[C@@H](C)C1 ZINC000827215787 587373067 /nfs/dbraw/zinc/37/30/67/587373067.db2.gz UTZJMYLWHPQQEK-WDEREUQCSA-N 0 3 243.351 0.916 20 0 BCADHN CC[N@H+]1CC[C@@H](NCCN(C)C(=O)[O-])[C@@H](C)C1 ZINC000827215787 587373068 /nfs/dbraw/zinc/37/30/68/587373068.db2.gz UTZJMYLWHPQQEK-WDEREUQCSA-N 0 3 243.351 0.916 20 0 BCADHN O=C(NC[C@@H]1CCCOC1)[C@@]1(F)CCNC1 ZINC000827469069 587382442 /nfs/dbraw/zinc/38/24/42/587382442.db2.gz KTRCTLKOAOJUGJ-GXSJLCMTSA-N 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20 0 BCADHN C[S@](=O)CCN1CCC[C@@H]2COCC[C@@H]21 ZINC000827989955 587412370 /nfs/dbraw/zinc/41/23/70/587412370.db2.gz DJIVQEYXFKQSCB-ZETOZRRWSA-N 0 3 231.361 0.866 20 0 BCADHN Cc1nccn1CCNC(=O)[C@@]1(F)CCNC1 ZINC000827984066 587415228 /nfs/dbraw/zinc/41/52/28/587415228.db2.gz CQGUXVMAQTYMJN-LLVKDONJSA-N 0 3 240.282 0.009 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)NC1(C)COC1 ZINC000828137644 587421118 /nfs/dbraw/zinc/42/11/18/587421118.db2.gz YKLFRNLBCCOTTH-JTQLQIEISA-N 0 3 226.320 0.764 20 0 BCADHN Cc1ccccc1[C@@H](CO)NCC[S@](C)=O ZINC000828212080 587424007 /nfs/dbraw/zinc/42/40/07/587424007.db2.gz OPPYHLRYKNUSHD-WBMJQRKESA-N 0 3 241.356 0.997 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000828300159 587432776 /nfs/dbraw/zinc/43/27/76/587432776.db2.gz RPJGLNDGEXTGGI-GHMZBOCLSA-N 0 3 240.347 0.964 20 0 BCADHN COC(=O)N1CCC[C@H](NC(=O)C(C)(C)N)C1 ZINC000828329243 587435275 /nfs/dbraw/zinc/43/52/75/587435275.db2.gz OSVJXUNUKMKKPE-QMMMGPOBSA-N 0 3 243.307 0.071 20 0 BCADHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CC[S@@](C)=O ZINC000828525104 587447418 /nfs/dbraw/zinc/44/74/18/587447418.db2.gz KGQKHFLXOWSJCN-LVVUMTHDSA-N 0 3 243.372 0.720 20 0 BCADHN C[C@@H]1[C@@H](N2CCCC2)CCN1CC[S@@](C)=O ZINC000828540697 587449334 /nfs/dbraw/zinc/44/93/34/587449334.db2.gz DGARHCKXVJOYDM-BFQNTYOBSA-N 0 3 244.404 0.924 20 0 BCADHN C[S@@](=O)CCN1CC[C@H](O)C12CCCC2 ZINC000828575856 587450659 /nfs/dbraw/zinc/45/06/59/587450659.db2.gz QYHFVMSTKSYGCV-ZUZCIYMTSA-N 0 3 231.361 0.744 20 0 BCADHN CN1CC[C@@]2(CCN(CC[S@](C)=O)C2)C1 ZINC000828571200 587451055 /nfs/dbraw/zinc/45/10/55/587451055.db2.gz NKEORHCIYXPVOG-ABAIWWIYSA-N 0 3 230.377 0.393 20 0 BCADHN COC[C@]1(C)CCN(CC[S@@](C)=O)C1 ZINC000828588249 587452118 /nfs/dbraw/zinc/45/21/18/587452118.db2.gz YFNHMOHHKKEJMB-QMTHXVAHSA-N 0 3 219.350 0.723 20 0 BCADHN CO[C@@H]1CCN(CC[S@@](C)=O)C[C@H]1C ZINC000828592729 587452441 /nfs/dbraw/zinc/45/24/41/587452441.db2.gz JTZOCIDSHZSJPM-GPCCPHFNSA-N 0 3 219.350 0.722 20 0 BCADHN C[S@](=O)CCN1CCCC[C@H]1C1(O)CC1 ZINC000828615334 587454077 /nfs/dbraw/zinc/45/40/77/587454077.db2.gz PHKJGMFSCRHOAS-BONVTDFDSA-N 0 3 231.361 0.744 20 0 BCADHN C[C@@H]1[C@H](CO)CCCN1CC[S@](C)=O ZINC000828627038 587454627 /nfs/dbraw/zinc/45/46/27/587454627.db2.gz NGKNEAGIAXCBAM-BFVZDQMLSA-N 0 3 219.350 0.458 20 0 BCADHN CN(C(=O)Cc1ncc[nH]1)[C@@H]1CCCN(C)C1 ZINC000828681182 587456944 /nfs/dbraw/zinc/45/69/44/587456944.db2.gz WRVIYVCDIPAZHE-SNVBAGLBSA-N 0 3 236.319 0.505 20 0 BCADHN CC1=NO[C@H](C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000828676841 587457097 /nfs/dbraw/zinc/45/70/97/587457097.db2.gz ANYJCOKPYYHSGZ-MXWKQRLJSA-N 0 3 239.319 0.750 20 0 BCADHN CC1=NO[C@H](C(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000828681745 587457240 /nfs/dbraw/zinc/45/72/40/587457240.db2.gz ZIGQLRZJORBISL-QWRGUYRKSA-N 0 3 239.319 0.704 20 0 BCADHN CCCCN(CCCO)CC[S@@](C)=O ZINC000828711465 587458086 /nfs/dbraw/zinc/45/80/86/587458086.db2.gz FHESRNCIBWTCSS-CQSZACIVSA-N 0 3 221.366 0.849 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@H](N)C(C)C ZINC000828882994 587468558 /nfs/dbraw/zinc/46/85/58/587468558.db2.gz HAODAXJYQJTNTN-SNVBAGLBSA-N 0 3 230.308 0.429 20 0 BCADHN CC[C@](C)(O)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000828958228 587475310 /nfs/dbraw/zinc/47/53/10/587475310.db2.gz BGAIRQGYYXYNAF-WZRBSPASSA-N 0 3 240.347 0.843 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)c1ccnn1C ZINC000828963367 587475799 /nfs/dbraw/zinc/47/57/99/587475799.db2.gz SWPDJILNLISWNF-SNVBAGLBSA-N 0 3 238.335 0.938 20 0 BCADHN CC(=O)[C@H](OC(=O)C1CCN(C)C1=O)C(C)C ZINC000829017018 587478838 /nfs/dbraw/zinc/47/88/38/587478838.db2.gz QPKQWGAHPPGYAV-NXEZZACHSA-N 0 3 241.287 0.622 20 0 BCADHN CCCCNC(=O)CCN1CC(C)(C(N)=O)C1 ZINC000829051948 587480523 /nfs/dbraw/zinc/48/05/23/587480523.db2.gz RPBQGYMHBUZCJL-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN C[C@@H](CO)N(CC[S@](C)=O)C1CCCC1 ZINC000829077692 587481908 /nfs/dbraw/zinc/48/19/08/587481908.db2.gz LVUUYFUSXUROPO-BONVTDFDSA-N 0 3 233.377 0.990 20 0 BCADHN OC[C@@]12C[C@@H]1CN(C[C@H](O)Cc1ccccc1)C2 ZINC000829107675 587482800 /nfs/dbraw/zinc/48/28/00/587482800.db2.gz RFUYMWKWNGJROJ-KFWWJZLASA-N 0 3 247.338 0.904 20 0 BCADHN C[C@H](O)[C@H]1C[C@H](C)CCN1CC[S@](C)=O ZINC000829121651 587483675 /nfs/dbraw/zinc/48/36/75/587483675.db2.gz VJMUVJNLQOFEBK-RSQPEXBXSA-N 0 3 233.377 0.846 20 0 BCADHN CC(C)C1(O)CN(C[C@H]2CCNC(=O)CC2)C1 ZINC000829291177 587491828 /nfs/dbraw/zinc/49/18/28/587491828.db2.gz LGCPQJVJPQSUQG-LLVKDONJSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H](CO)N(CC[S@](C)=O)CC1CCC1 ZINC000829367891 587494308 /nfs/dbraw/zinc/49/43/08/587494308.db2.gz WTASHHHGRWAZSQ-BONVTDFDSA-N 0 3 233.377 0.848 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N1CC=C[C@H]1CO ZINC000829471573 587499217 /nfs/dbraw/zinc/49/92/17/587499217.db2.gz QUHMLZJXAVCBDF-RYUDHWBXSA-N 0 3 238.331 0.619 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N1CC=C[C@@H]1CO ZINC000829471570 587499298 /nfs/dbraw/zinc/49/92/98/587499298.db2.gz QUHMLZJXAVCBDF-NEPJUHHUSA-N 0 3 238.331 0.619 20 0 BCADHN O=C(NCC1CCSCC1)[C@@]1(F)CCNC1 ZINC000829548181 587503206 /nfs/dbraw/zinc/50/32/06/587503206.db2.gz BUBRYQPZITZDPD-LLVKDONJSA-N 0 3 246.351 0.947 20 0 BCADHN CC[C@@H](C)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000829558890 587503337 /nfs/dbraw/zinc/50/33/37/587503337.db2.gz CWKQWEBKRSAMGO-HTQZYQBOSA-N 0 3 234.321 0.440 20 0 BCADHN CC[C@H](C)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000829558891 587503616 /nfs/dbraw/zinc/50/36/16/587503616.db2.gz CWKQWEBKRSAMGO-JGVFFNPUSA-N 0 3 234.321 0.440 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1CC1CCC1 ZINC000829562155 587503735 /nfs/dbraw/zinc/50/37/35/587503735.db2.gz ZEHFUGLTMULFNF-SSDOTTSWSA-N 0 3 232.305 0.194 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000829563247 587503966 /nfs/dbraw/zinc/50/39/66/587503966.db2.gz BFDZOMMQHNWKSW-WRWGMCAJSA-N 0 3 238.331 0.716 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1CC1CCCC1 ZINC000829562182 587504049 /nfs/dbraw/zinc/50/40/49/587504049.db2.gz ZPQLNKOJLWRPCR-MRVPVSSYSA-N 0 3 246.332 0.584 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCCOc1cccnc1 ZINC000829637641 587507204 /nfs/dbraw/zinc/50/72/04/587507204.db2.gz ZBVNRYPYDUKBHH-NSHDSACASA-N 0 3 249.314 0.575 20 0 BCADHN CN(CCO)CCNC(=O)C1(C)CC=CC1 ZINC000829749184 587513792 /nfs/dbraw/zinc/51/37/92/587513792.db2.gz FCGVBXYXEFKFAG-UHFFFAOYSA-N 0 3 226.320 0.383 20 0 BCADHN CNCC(=O)N[C@@H]1CCCc2nc(C)ncc21 ZINC000829798846 587517348 /nfs/dbraw/zinc/51/73/48/587517348.db2.gz GEOOJQUMVGVCBE-LLVKDONJSA-N 0 3 234.303 0.498 20 0 BCADHN CCC(C)(C)N[C@H](C)C(=O)N1CC=C(N)N1 ZINC000829841359 587522574 /nfs/dbraw/zinc/52/25/74/587522574.db2.gz XQIBHMMEQVEGHG-MRVPVSSYSA-N 0 3 226.324 0.300 20 0 BCADHN C[C@@H]1[C@H](NC(=O)/C=C/c2cn(C)cn2)CCN1C ZINC000830111160 587536082 /nfs/dbraw/zinc/53/60/82/587536082.db2.gz LWWUBNXOOQGEJG-DJVCXFJCSA-N 0 3 248.330 0.642 20 0 BCADHN CCn1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)nn1 ZINC000830111151 587536369 /nfs/dbraw/zinc/53/63/69/587536369.db2.gz LUXAVELMFXZEJL-IUCAKERBSA-N 0 3 237.307 0.120 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000830112518 587536521 /nfs/dbraw/zinc/53/65/21/587536521.db2.gz SQCWVBPBRCDGKT-QCLAVDOMSA-N 0 3 212.293 0.230 20 0 BCADHN CC[C@](C)(O)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000830118113 587536995 /nfs/dbraw/zinc/53/69/95/587536995.db2.gz VRFOBDAHCZAPAM-QXEWZRGKSA-N 0 3 214.309 0.356 20 0 BCADHN COC[C@@H](NC(=O)[C@@]1(F)CCNC1)C(C)C ZINC000830428056 587551370 /nfs/dbraw/zinc/55/13/70/587551370.db2.gz ATVUZZSMDZVORW-MWLCHTKSSA-N 0 3 232.299 0.475 20 0 BCADHN CC[C@H]1[C@H](CO)CCN1CC(=O)N(C)OC ZINC000830719812 587564998 /nfs/dbraw/zinc/56/49/98/587564998.db2.gz HNHRNCVTCLZSEH-UWVGGRQHSA-N 0 3 230.308 0.099 20 0 BCADHN CN(C)CCCOC(=O)[C@@H]1CCC(=O)C1 ZINC000830892441 587575548 /nfs/dbraw/zinc/57/55/48/587575548.db2.gz VITUXXDDROXCEU-SECBINFHSA-N 0 3 213.277 0.851 20 0 BCADHN C[C@H](CO)CN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830915210 587576854 /nfs/dbraw/zinc/57/68/54/587576854.db2.gz BVYLUEVLOQGWDY-AEJSXWLSSA-N 0 3 228.292 0.045 20 0 BCADHN Cc1noc(C)c1CCCNC(=O)[C@@H](C)N ZINC000831143434 587587641 /nfs/dbraw/zinc/58/76/41/587587641.db2.gz QZQSJWIVBOJFGO-SSDOTTSWSA-N 0 3 225.292 0.687 20 0 BCADHN CNCC(=O)NCc1cn(-c2ccccc2)nn1 ZINC000831172652 587589225 /nfs/dbraw/zinc/58/92/25/587589225.db2.gz LCTWQGFVZVXBFM-UHFFFAOYSA-N 0 3 245.286 0.103 20 0 BCADHN CC[C@@H](C[C@H](C)O)NC(=O)CN(C)C(C)C ZINC000831262000 587594558 /nfs/dbraw/zinc/59/45/58/587594558.db2.gz WIYYNCAOZKVNME-QWRGUYRKSA-N 0 3 230.352 0.992 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CC)C[C@@H](C)O ZINC000831269286 587594677 /nfs/dbraw/zinc/59/46/77/587594677.db2.gz OIHVYNRLJARRAA-GHMZBOCLSA-N 0 3 230.352 0.994 20 0 BCADHN CO[C@@H]1C[C@H](NCC2OCCO2)C1(C)C ZINC000831339815 587599382 /nfs/dbraw/zinc/59/93/82/587599382.db2.gz XAEYOJFBBSOGLH-DTWKUNHWSA-N 0 3 215.293 0.762 20 0 BCADHN CCc1ncc(NC(=O)[C@]2(F)CCNC2)cn1 ZINC000831425513 587605775 /nfs/dbraw/zinc/60/57/75/587605775.db2.gz CIVRYSMWBSKACK-NSHDSACASA-N 0 3 238.266 0.679 20 0 BCADHN O=C(N1CCOC[C@H]1C1CC1)[C@@]1(F)CCNC1 ZINC000831470578 587611600 /nfs/dbraw/zinc/61/16/00/587611600.db2.gz PDNZXWPVNHKCHC-CMPLNLGQSA-N 0 3 242.294 0.325 20 0 BCADHN COc1ccnc(NC(=O)[C@@]2(F)CCNC2)c1 ZINC000831469649 587611813 /nfs/dbraw/zinc/61/18/13/587611813.db2.gz AOKLDQQENAOZPT-LLVKDONJSA-N 0 3 239.250 0.730 20 0 BCADHN O=C(N1CCOC[C@@H]1C1CC1)[C@@]1(F)CCNC1 ZINC000831470588 587611817 /nfs/dbraw/zinc/61/18/17/587611817.db2.gz PDNZXWPVNHKCHC-ZYHUDNBSSA-N 0 3 242.294 0.325 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000831528653 587617146 /nfs/dbraw/zinc/61/71/46/587617146.db2.gz TYXASISSCVURIG-JQWIXIFHSA-N 0 3 244.310 0.571 20 0 BCADHN C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)[C@H](C)CN1 ZINC000831539942 587617647 /nfs/dbraw/zinc/61/76/47/587617647.db2.gz BLSGSPPQTVWCFD-NXEZZACHSA-N 0 3 235.287 0.142 20 0 BCADHN CO[C@@H](C)CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000831593747 587621808 /nfs/dbraw/zinc/62/18/08/587621808.db2.gz OQWDMCMCYIMXAW-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN COC(=O)[C@H]1CCCC[C@H]1NCC(OC)OC ZINC000831675040 587627607 /nfs/dbraw/zinc/62/76/07/587627607.db2.gz UVLATYPFXPITQC-VHSXEESVSA-N 0 3 245.319 0.927 20 0 BCADHN CCO[C@@H](CNC(=O)[C@H]1CC12CC2)CN(C)C ZINC000831707818 587628315 /nfs/dbraw/zinc/62/83/15/587628315.db2.gz NDYJIFALRBPVNT-WDEREUQCSA-N 0 3 240.347 0.869 20 0 BCADHN CCO[C@H](CNC(=O)[C@@H]1CC12CC2)CN(C)C ZINC000831707816 587628377 /nfs/dbraw/zinc/62/83/77/587628377.db2.gz NDYJIFALRBPVNT-MNOVXSKESA-N 0 3 240.347 0.869 20 0 BCADHN CCO[C@H](CNC(=O)C1(OC)CC1)CN(C)C ZINC000831707627 587628413 /nfs/dbraw/zinc/62/84/13/587628413.db2.gz JDJWPAULMKPQHV-SNVBAGLBSA-N 0 3 244.335 0.248 20 0 BCADHN CCO[C@@H](CNC(=O)C(C)(F)F)CN(C)C ZINC000831713181 587628857 /nfs/dbraw/zinc/62/88/57/587628857.db2.gz JJTSADDAVWVJFN-QMMMGPOBSA-N 0 3 238.278 0.725 20 0 BCADHN CCO[C@H](CNC(=O)[C@@H](O)C(C)C)CN(C)C ZINC000831718006 587628895 /nfs/dbraw/zinc/62/88/95/587628895.db2.gz HZDCWBWQVZCSLW-MNOVXSKESA-N 0 3 246.351 0.086 20 0 BCADHN CC[C@@H]1C[C@H](NC(=O)[C@@]2(F)CCNC2)CCO1 ZINC000831741832 587629553 /nfs/dbraw/zinc/62/95/53/587629553.db2.gz QFVVEPNDEBRXNM-CKYFFXLPSA-N 0 3 244.310 0.762 20 0 BCADHN CCO[C@H](CNC(=O)COC(C)C)CN(C)C ZINC000831756963 587630150 /nfs/dbraw/zinc/63/01/50/587630150.db2.gz MPXUSDLSCQMFGT-LLVKDONJSA-N 0 3 246.351 0.494 20 0 BCADHN CCC(F)(F)C(=O)NCCOCCN(C)C ZINC000831755290 587630548 /nfs/dbraw/zinc/63/05/48/587630548.db2.gz DCDSLCXKHLDQQR-UHFFFAOYSA-N 0 3 238.278 0.726 20 0 BCADHN CCO[C@H](C)C(=O)NC[C@@H](CN(C)C)OCC ZINC000831766689 587630807 /nfs/dbraw/zinc/63/08/07/587630807.db2.gz VQOAQQOPYOUUJY-MNOVXSKESA-N 0 3 246.351 0.494 20 0 BCADHN CCO[C@@H](CNC(=O)C1CC1)CN(C)C ZINC000831777107 587631179 /nfs/dbraw/zinc/63/11/79/587631179.db2.gz QSRRRLBUZADZCU-JTQLQIEISA-N 0 3 214.309 0.479 20 0 BCADHN CCn1nccc1NC(=O)[C@]1(F)CCNC1 ZINC000831781804 587631519 /nfs/dbraw/zinc/63/15/19/587631519.db2.gz WDGBKLSNMZRONM-JTQLQIEISA-N 0 3 226.255 0.543 20 0 BCADHN CCO[C@H](CNC(=O)[C@](C)(O)CC)CN(C)C ZINC000831781026 587631547 /nfs/dbraw/zinc/63/15/47/587631547.db2.gz FPJKBWIKZIARCZ-ZYHUDNBSSA-N 0 3 246.351 0.230 20 0 BCADHN CC(C)OC(=O)CCNC(=O)[C@@]1(F)CCNC1 ZINC000831789312 587631880 /nfs/dbraw/zinc/63/18/80/587631880.db2.gz LXTOUVMZJZJZJE-LLVKDONJSA-N 0 3 246.282 0.146 20 0 BCADHN CCCCOC(=O)CNC(=O)CNC1CC1 ZINC000831916369 587635724 /nfs/dbraw/zinc/63/57/24/587635724.db2.gz MNZZLMQJTNMCOO-UHFFFAOYSA-N 0 3 228.292 0.198 20 0 BCADHN Cc1ncc(NC(=O)[C@@]2(F)CCNC2)cn1 ZINC000831906247 587636178 /nfs/dbraw/zinc/63/61/78/587636178.db2.gz ZVCWUCLSZCHNIH-SNVBAGLBSA-N 0 3 224.239 0.425 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@H](N)C(C)C ZINC000831916004 587636399 /nfs/dbraw/zinc/63/63/99/587636399.db2.gz DXISSIVSGJDNRN-SNVBAGLBSA-N 0 3 230.308 0.429 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC000831921037 587636753 /nfs/dbraw/zinc/63/67/53/587636753.db2.gz HENAMRMMLUJBSJ-FYBVGQRMSA-N 0 3 240.278 0.711 20 0 BCADHN O=C(NCc1ncccc1[O-])[C@@]1(F)CC[NH2+]C1 ZINC000831926991 587636763 /nfs/dbraw/zinc/63/67/63/587636763.db2.gz BKYZHTVWDSMDTR-LLVKDONJSA-N 0 3 239.250 0.105 20 0 BCADHN Cc1ccc(NC(=O)[C@@]2(F)CCNC2)c(=O)[nH]1 ZINC000831927190 587636911 /nfs/dbraw/zinc/63/69/11/587636911.db2.gz IKOZMJNTUIWWGK-LLVKDONJSA-N 0 3 239.250 0.736 20 0 BCADHN CCc1cnc(CNC(=O)[C@]2(F)CCNC2)o1 ZINC000832128897 587645638 /nfs/dbraw/zinc/64/56/38/587645638.db2.gz PKKJZUDLKKIIAZ-NSHDSACASA-N 0 3 241.266 0.555 20 0 BCADHN CNCC(=O)N[C@@H](C)[C@@H](O)c1cccc(F)c1 ZINC000832122731 587645687 /nfs/dbraw/zinc/64/56/87/587645687.db2.gz SIBTXFVIYAICPO-QPUJVOFHSA-N 0 3 240.278 0.583 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000832166788 587648089 /nfs/dbraw/zinc/64/80/89/587648089.db2.gz RRDXWCVZVAIMIH-OYNCUSHFSA-N 0 3 218.272 0.228 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCOC(=O)C1CC1 ZINC000832183345 587649046 /nfs/dbraw/zinc/64/90/46/587649046.db2.gz YXQFXWWDQWYTME-WPRPVWTQSA-N 0 3 242.319 0.429 20 0 BCADHN CC1=NO[C@H](C(=O)N(C)CCN(C)C2CC2)C1 ZINC000832336394 587654933 /nfs/dbraw/zinc/65/49/33/587654933.db2.gz PMCHVNFJKMDCDE-NSHDSACASA-N 0 3 239.319 0.704 20 0 BCADHN Nc1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)c([O-])c1 ZINC000832451581 587660759 /nfs/dbraw/zinc/66/07/59/587660759.db2.gz CVUNOICUPGKROZ-VIFPVBQESA-N 0 3 249.314 0.785 20 0 BCADHN CCCCC[C@@H](O)C(=O)N[C@@H](C)CN(C)C ZINC000832534678 587665308 /nfs/dbraw/zinc/66/53/08/587665308.db2.gz MTCWOXLWSIQSAT-WDEREUQCSA-N 0 3 230.352 0.994 20 0 BCADHN C[NH2+][C@@H]1CCCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000832559822 587666641 /nfs/dbraw/zinc/66/66/41/587666641.db2.gz NFIDBENJJKQHHE-SNVBAGLBSA-N 0 3 249.314 0.798 20 0 BCADHN CN1C[C@H]2CCN(C(=O)CC3(O)CCC3)[C@H]2C1 ZINC000832697868 587678228 /nfs/dbraw/zinc/67/82/28/587678228.db2.gz ISCOYZBUBPKCFX-MNOVXSKESA-N 0 3 238.331 0.454 20 0 BCADHN CN(C)C1(C(=O)NCC2OCCCO2)CCC1 ZINC000832772814 587688272 /nfs/dbraw/zinc/68/82/72/587688272.db2.gz YEJWPNBKLXDOCY-UHFFFAOYSA-N 0 3 242.319 0.350 20 0 BCADHN CC(C)N1CC[C@@H](N(C)CC[S@](C)=O)C1 ZINC000832779268 587688581 /nfs/dbraw/zinc/68/85/81/587688581.db2.gz XSUXUMQVLIYIQK-ABAIWWIYSA-N 0 3 232.393 0.779 20 0 BCADHN CCC/C=C\C(=O)NOCCN(C)C ZINC000833859935 587737074 /nfs/dbraw/zinc/73/70/74/587737074.db2.gz WLXASGKFGATGSI-SREVYHEPSA-N 0 3 200.282 0.952 20 0 BCADHN O=C([O-])NCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000834236964 587749529 /nfs/dbraw/zinc/74/95/29/587749529.db2.gz BFXDYIAXXHJOSB-MNOVXSKESA-N 0 3 241.335 0.861 20 0 BCADHN O=C([O-])NCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000834236964 587749530 /nfs/dbraw/zinc/74/95/30/587749530.db2.gz BFXDYIAXXHJOSB-MNOVXSKESA-N 0 3 241.335 0.861 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@H](O)C1 ZINC000834767301 587766419 /nfs/dbraw/zinc/76/64/19/587766419.db2.gz SBEXNAOLOSDPTH-DDHJBXDOSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H](O)C1 ZINC000834767300 587766443 /nfs/dbraw/zinc/76/64/43/587766443.db2.gz SBEXNAOLOSDPTH-CDECOKDKSA-N 0 3 240.347 0.746 20 0 BCADHN CC(=O)C(C)(C)COC(=O)C1CCN(C)C1=O ZINC000835912191 587821231 /nfs/dbraw/zinc/82/12/31/587821231.db2.gz HWPNOAOVDDFKRO-SECBINFHSA-N 0 3 241.287 0.623 20 0 BCADHN CCON(C)S(=O)(=O)CCCN(C)C ZINC000867155376 587824045 /nfs/dbraw/zinc/82/40/45/587824045.db2.gz VQXKDCPIYXNONJ-UHFFFAOYSA-N 0 3 224.326 0.151 20 0 BCADHN COCCN(C)CCCNC(=O)N(C)CCF ZINC000837619596 587885887 /nfs/dbraw/zinc/88/58/87/587885887.db2.gz NYIVTNHUJDKYIH-UHFFFAOYSA-N 0 3 249.330 0.566 20 0 BCADHN CO[C@@H](C)COC(=O)C1CCCN(C)C1=O ZINC000837959934 587905662 /nfs/dbraw/zinc/90/56/62/587905662.db2.gz QKDVJXUDTZPSEC-IUCAKERBSA-N 0 3 229.276 0.433 20 0 BCADHN CCN1CC[C@H]2OCCN(C(=S)NC)[C@H]2C1 ZINC000840754721 587919193 /nfs/dbraw/zinc/91/91/93/587919193.db2.gz LFQYAHCLZNCFMF-VHSXEESVSA-N 0 3 243.376 0.286 20 0 BCADHN C[C@@H](F)CCNC(=S)NCCN(C)C ZINC000840756007 587919807 /nfs/dbraw/zinc/91/98/07/587919807.db2.gz NXNHXDBYJCBKPP-MRVPVSSYSA-N 0 3 221.345 0.760 20 0 BCADHN CN(C)CCNC(=S)N[C@H]1COCC1(C)C ZINC000840814947 587923098 /nfs/dbraw/zinc/92/30/98/587923098.db2.gz XEINGZOJIRUTLM-VIFPVBQESA-N 0 3 245.392 0.437 20 0 BCADHN CN(C)CCNC(=S)N1CCO[C@@H](CF)C1 ZINC000840852558 587925482 /nfs/dbraw/zinc/92/54/82/587925482.db2.gz NLKPZDPFVORLPM-VIFPVBQESA-N 0 3 249.355 0.093 20 0 BCADHN CN(C)C1(C(=O)N[C@H]2C[C@@](C)(O)C2)CCC1 ZINC000841450554 587954826 /nfs/dbraw/zinc/95/48/26/587954826.db2.gz NZRFGCUDLVUHKY-JGZJWPJOSA-N 0 3 226.320 0.500 20 0 BCADHN C[C@H]1NC(=S)N(CCN2CCCCC2)C1=O ZINC000841488607 587956427 /nfs/dbraw/zinc/95/64/27/587956427.db2.gz UKDHSNAJDPGUGK-SECBINFHSA-N 0 3 241.360 0.578 20 0 BCADHN CCCCCCNC(=O)NC[C@@H]1CNCCO1 ZINC000841611473 587959780 /nfs/dbraw/zinc/95/97/80/587959780.db2.gz SMAOQCLAIAYRRS-NSHDSACASA-N 0 3 243.351 0.854 20 0 BCADHN CCN(CC)CC(=O)NCC(=O)OC(C)C ZINC000104435969 587961154 /nfs/dbraw/zinc/96/11/54/587961154.db2.gz DGNRWVRTEVNNTJ-UHFFFAOYSA-N 0 3 230.308 0.396 20 0 BCADHN Nc1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)c([O-])c1 ZINC000841846403 587977171 /nfs/dbraw/zinc/97/71/71/587977171.db2.gz QQSCVKQOLDDPJS-VIFPVBQESA-N 0 3 249.314 0.704 20 0 BCADHN C[C@H]([NH3+])CCNC(=O)c1ccc(N)cc1[O-] ZINC000841847239 587977219 /nfs/dbraw/zinc/97/72/19/587977219.db2.gz HVWGXTGIHYGNQP-ZETCQYMHSA-N 0 3 223.276 0.442 20 0 BCADHN Nc1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)c([O-])c1 ZINC000841849451 587977997 /nfs/dbraw/zinc/97/79/97/587977997.db2.gz VMEHPULVPLCAJN-SNVBAGLBSA-N 0 3 235.287 0.442 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc(N)cc2O)C[C@@H](C)N1 ZINC000841854725 587978481 /nfs/dbraw/zinc/97/84/81/587978481.db2.gz GRKLIVQAYSAZAJ-RKDXNWHRSA-N 0 3 249.314 0.797 20 0 BCADHN CCn1nncc1CNC[C@@H](O)CC(C)C ZINC000841860389 587979026 /nfs/dbraw/zinc/97/90/26/587979026.db2.gz SEPOWKOHVXFBCW-NSHDSACASA-N 0 3 226.324 0.795 20 0 BCADHN CSCCONC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000841889537 587979833 /nfs/dbraw/zinc/97/98/33/587979833.db2.gz CCRVCMDOEJJTOA-IUCAKERBSA-N 0 3 247.364 0.673 20 0 BCADHN CCOCCONC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000841879673 587979887 /nfs/dbraw/zinc/97/98/87/587979887.db2.gz PQXBSTBIKLMUPS-UWVGGRQHSA-N 0 3 245.323 0.346 20 0 BCADHN CSCCONC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000841889884 587981185 /nfs/dbraw/zinc/98/11/85/587981185.db2.gz HNDZXLQDTQVAIC-RKDXNWHRSA-N 0 3 247.364 0.673 20 0 BCADHN CSCCONC(=O)N1CCCNCC1 ZINC000841890018 587982153 /nfs/dbraw/zinc/98/21/53/587982153.db2.gz KUISKAYLBHIREG-UHFFFAOYSA-N 0 3 233.337 0.286 20 0 BCADHN C[C@H]1CN(C(=O)NOCC2CC2)[C@@H](C)CN1 ZINC000841909398 587983952 /nfs/dbraw/zinc/98/39/52/587983952.db2.gz FQTIXWDFWVBHJG-IUCAKERBSA-N 0 3 227.308 0.720 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)N1CC=CCC1 ZINC000842006074 587988462 /nfs/dbraw/zinc/98/84/62/587988462.db2.gz VGMAJJCCDNANSO-SECBINFHSA-N 0 3 245.273 0.955 20 0 BCADHN Cc1cc(N[C@H]2C[C@@](C)(O)C2)nc(N)n1 ZINC000842045458 587992354 /nfs/dbraw/zinc/99/23/54/587992354.db2.gz DZCSGMXJQILSLE-WKFQBHICSA-N 0 3 208.265 0.693 20 0 BCADHN CC[C@H](COC(=O)C1CCN(C)C1=O)OC ZINC000842093341 587998369 /nfs/dbraw/zinc/99/83/69/587998369.db2.gz OASRRBRTUIAAMH-BDAKNGLRSA-N 0 3 229.276 0.433 20 0 BCADHN C[C@@H]1CN(CCS(N)(=O)=O)[C@@H](C)[C@H]1C ZINC000842167641 588005199 /nfs/dbraw/zinc/00/51/99/588005199.db2.gz WTPYXAJQQQKAPQ-VGMNWLOBSA-N 0 3 220.338 0.251 20 0 BCADHN C[C@@H](N(C)C(=O)C(=O)N[C@@H](C)CN)C(C)(C)C ZINC000842260430 588009439 /nfs/dbraw/zinc/00/94/39/588009439.db2.gz UXDKCVLAUCEYKH-DTWKUNHWSA-N 0 3 243.351 0.343 20 0 BCADHN COC[C@H](C)OC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000867297453 588027948 /nfs/dbraw/zinc/02/79/48/588027948.db2.gz JVGAKXAFXPEDMZ-DCAQKATOSA-N 0 3 242.319 0.794 20 0 BCADHN C[C@H]1C[C@H](NCCS(=O)(=O)CC2CC2)CO1 ZINC000842691339 588052828 /nfs/dbraw/zinc/05/28/28/588052828.db2.gz GKPHZKSJPBGWAD-ONGXEEELSA-N 0 3 247.360 0.578 20 0 BCADHN COC(=O)N1CC(N[C@@H]2CO[C@H](C)C2)C1 ZINC000842691262 588053232 /nfs/dbraw/zinc/05/32/32/588053232.db2.gz DOPHHJDLZVRYOO-SFYZADRCSA-N 0 3 214.265 0.204 20 0 BCADHN C[C@H]1C[C@@H](NCC2(C)OCCCO2)CO1 ZINC000842701392 588053891 /nfs/dbraw/zinc/05/38/91/588053891.db2.gz DZMSQZYUSVUEQM-VHSXEESVSA-N 0 3 215.293 0.907 20 0 BCADHN C[C@H]1C[C@H](NCCS(=O)(=O)C2CC2)CO1 ZINC000842710707 588054851 /nfs/dbraw/zinc/05/48/51/588054851.db2.gz BYAGANHRXAWLHC-IUCAKERBSA-N 0 3 233.333 0.331 20 0 BCADHN C[C@H](CN)NS(=O)(=O)c1ccccc1C=O ZINC000842762153 588060295 /nfs/dbraw/zinc/06/02/95/588060295.db2.gz BDPWMENKYGBFBQ-MRVPVSSYSA-N 0 3 242.300 0.125 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CCC[C@H](OC)C1 ZINC000842769212 588061092 /nfs/dbraw/zinc/06/10/92/588061092.db2.gz MFONDULYOWGIMI-QWRGUYRKSA-N 0 3 244.335 0.944 20 0 BCADHN CCN(OC)C(=O)CNC1CCOCC1 ZINC000842769417 588061191 /nfs/dbraw/zinc/06/11/91/588061191.db2.gz NOFIWSAUXHXJFQ-UHFFFAOYSA-N 0 3 216.281 0.165 20 0 BCADHN CCN(OC)C(=O)CNCc1[nH]ncc1C ZINC000842768613 588061415 /nfs/dbraw/zinc/06/14/15/588061415.db2.gz CNZLFBHHAKFQFG-UHFFFAOYSA-N 0 3 226.280 0.218 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CO[C@@H](C)C1 ZINC000842770321 588061856 /nfs/dbraw/zinc/06/18/56/588061856.db2.gz QQDBFHIYNGSNGT-DTWKUNHWSA-N 0 3 216.281 0.163 20 0 BCADHN CC(C)CS(=O)(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000867308465 588070839 /nfs/dbraw/zinc/07/08/39/588070839.db2.gz JYRJLSBSVAWYML-WDEREUQCSA-N 0 3 248.392 0.997 20 0 BCADHN C[C@@H](NCCc1cn(C)nn1)c1ccnn1C ZINC000842895753 588070957 /nfs/dbraw/zinc/07/09/57/588070957.db2.gz VRAJMIYHBJCEQT-SECBINFHSA-N 0 3 234.307 0.442 20 0 BCADHN Cc1nccnc1[C@H](C)NCCc1cn(C)nn1 ZINC000842893877 588071177 /nfs/dbraw/zinc/07/11/77/588071177.db2.gz GGDXAELFKVCRBD-VIFPVBQESA-N 0 3 246.318 0.807 20 0 BCADHN Cc1cc(F)ccc1[C@H](O)CNC(CO)CO ZINC000843059994 588077471 /nfs/dbraw/zinc/07/74/71/588077471.db2.gz QEJVNIAOGXOKAY-GFCCVEGCSA-N 0 3 243.278 0.110 20 0 BCADHN CCOCC[C@@H](O)CNC[C@H](O)C(F)(F)F ZINC000843063144 588078303 /nfs/dbraw/zinc/07/83/03/588078303.db2.gz QCEQYZWGJABDOV-SFYZADRCSA-N 0 3 245.241 0.287 20 0 BCADHN Cc1cc(C)cc([C@@H](O)CNC[C@@H](O)CO)c1 ZINC000843063688 588078712 /nfs/dbraw/zinc/07/87/12/588078712.db2.gz VQFINEAVUIQTHU-OLZOCXBDSA-N 0 3 239.315 0.280 20 0 BCADHN CCOCC[C@H](O)CNC[C@H](O)C(F)(F)F ZINC000843063151 588078758 /nfs/dbraw/zinc/07/87/58/588078758.db2.gz QCEQYZWGJABDOV-YUMQZZPRSA-N 0 3 245.241 0.287 20 0 BCADHN Cc1ccccc1[C@H](O)CNC[C@@](C)(O)CO ZINC000843080063 588080076 /nfs/dbraw/zinc/08/00/76/588080076.db2.gz FNHDQSSHRJHSKW-CHWSQXEVSA-N 0 3 239.315 0.361 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1CCC[C@H](CO)C1 ZINC000843080085 588080311 /nfs/dbraw/zinc/08/03/11/588080311.db2.gz GBBQRSCNBNBKAN-QWRGUYRKSA-N 0 3 249.376 0.562 20 0 BCADHN COC[C@@H](O)CNC[C@@H](O)c1ccc(C)o1 ZINC000843084755 588080769 /nfs/dbraw/zinc/08/07/69/588080769.db2.gz CFRMMHGOVCONPS-VHSXEESVSA-N 0 3 229.276 0.218 20 0 BCADHN Cc1nc(CNC[C@H](C)O)ccc1[C@@H](C)O ZINC000843105464 588081729 /nfs/dbraw/zinc/08/17/29/588081729.db2.gz FYYTXLJYORFCAC-WCBMZHEXSA-N 0 3 224.304 0.914 20 0 BCADHN C[C@H](O)CN[C@@H]1COc2ccccc2[C@H]1O ZINC000843115837 588082532 /nfs/dbraw/zinc/08/25/32/588082532.db2.gz JXCWLYQHJCUBJP-MKPLZMMCSA-N 0 3 223.272 0.451 20 0 BCADHN C[C@@H](O)CN[C@H]1COc2ccccc2[C@@H]1O ZINC000843115840 588082920 /nfs/dbraw/zinc/08/29/20/588082920.db2.gz JXCWLYQHJCUBJP-QRTLGDNMSA-N 0 3 223.272 0.451 20 0 BCADHN Cc1cnc(-c2noc([C@]3(F)CCNC3)n2)nc1 ZINC000843190770 588092108 /nfs/dbraw/zinc/09/21/08/588092108.db2.gz QPWKKELYMHNYNZ-NSHDSACASA-N 0 3 249.249 0.993 20 0 BCADHN Cc1ncc(-c2noc(C3(CN)CC3)n2)c(N)n1 ZINC000843219129 588093964 /nfs/dbraw/zinc/09/39/64/588093964.db2.gz XBIIICWVLBLDAR-UHFFFAOYSA-N 0 3 246.274 0.408 20 0 BCADHN Cc1ccc(-c2noc(C3(CN)CC3)n2)nn1 ZINC000843240364 588096026 /nfs/dbraw/zinc/09/60/26/588096026.db2.gz COCDGRJFNLKRHQ-UHFFFAOYSA-N 0 3 231.259 0.825 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(OC)ccc1N ZINC000843293327 588098088 /nfs/dbraw/zinc/09/80/88/588098088.db2.gz GWUBCKOZPFSPGU-QMMMGPOBSA-N 0 3 223.276 0.953 20 0 BCADHN CCNCC(=O)NC1(C(=O)OC)CCCCC1 ZINC000843373640 588105123 /nfs/dbraw/zinc/10/51/23/588105123.db2.gz QEUZRJKKDZXDRS-UHFFFAOYSA-N 0 3 242.319 0.588 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CC[C@H]1C ZINC000843431125 588106306 /nfs/dbraw/zinc/10/63/06/588106306.db2.gz XDODSQVLTNLBGU-BDAKNGLRSA-N 0 3 200.282 0.784 20 0 BCADHN CC1(C(N)=O)CN(C[C@@H]2CCC=CO2)C1 ZINC000843415037 588107453 /nfs/dbraw/zinc/10/74/53/588107453.db2.gz AIMRFKUEGNKIFT-VIFPVBQESA-N 0 3 210.277 0.486 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CCCOCC1 ZINC000843429958 588108344 /nfs/dbraw/zinc/10/83/44/588108344.db2.gz DVZDPTGZZRXGDM-SNVBAGLBSA-N 0 3 230.308 0.555 20 0 BCADHN CCN(OC)C(=O)CNC[C@H]1C[C@@H]1C ZINC000843429998 588108584 /nfs/dbraw/zinc/10/85/84/588108584.db2.gz FQSKTPFSHKOYST-DTWKUNHWSA-N 0 3 200.282 0.642 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CCOC[C@@H]1C ZINC000843431176 588109090 /nfs/dbraw/zinc/10/90/90/588109090.db2.gz XSVJUCVKSJQURK-VHSXEESVSA-N 0 3 230.308 0.411 20 0 BCADHN Cc1nonc1CNC(=O)[C@@H](N)C(C)(C)C ZINC000843441429 588111056 /nfs/dbraw/zinc/11/10/56/588111056.db2.gz CORZNXGNJWMYGQ-MRVPVSSYSA-N 0 3 226.280 0.368 20 0 BCADHN CCOC(=O)[C@@H](CC1CC1)NC(=O)[C@H](C)N ZINC000843449207 588111391 /nfs/dbraw/zinc/11/13/91/588111391.db2.gz YINACOIWIDVKOA-IONNQARKSA-N 0 3 228.292 0.182 20 0 BCADHN CCNCC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000843448156 588111525 /nfs/dbraw/zinc/11/15/25/588111525.db2.gz LANLNHCGXQWNDR-SECBINFHSA-N 0 3 241.335 0.112 20 0 BCADHN CS/C=C/C(=O)N[C@H]1CNCCC1(F)F ZINC000843482985 588114607 /nfs/dbraw/zinc/11/46/07/588114607.db2.gz FKNVWGWVEWYDKN-KNQJERJVSA-N 0 3 236.287 0.977 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@]1(F)CCNC1 ZINC000843492515 588115255 /nfs/dbraw/zinc/11/52/55/588115255.db2.gz CSNVZBCCFIGRSP-NHCYSSNCSA-N 0 3 244.310 0.307 20 0 BCADHN CCNCC(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000843491653 588115449 /nfs/dbraw/zinc/11/54/49/588115449.db2.gz HMGFZXHKVNIIIL-SNVBAGLBSA-N 0 3 222.292 0.683 20 0 BCADHN CCCN1CCCN(C(=O)CNCC)CC1=O ZINC000843493262 588115525 /nfs/dbraw/zinc/11/55/25/588115525.db2.gz VEWHAYZQHYNGJE-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@@]1(F)CCNC1 ZINC000843492514 588115593 /nfs/dbraw/zinc/11/55/93/588115593.db2.gz CSNVZBCCFIGRSP-JBLDHEPKSA-N 0 3 244.310 0.307 20 0 BCADHN CCNCC(=O)NCC1([C@H](O)C(C)C)CC1 ZINC000843494226 588115826 /nfs/dbraw/zinc/11/58/26/588115826.db2.gz JGHMEPBACXPCEN-LLVKDONJSA-N 0 3 228.336 0.509 20 0 BCADHN CCc1cc(NC(=O)[C@]2(F)CCNC2)nn1C ZINC000843501028 588116829 /nfs/dbraw/zinc/11/68/29/588116829.db2.gz AJJSZMGCRYETDF-NSHDSACASA-N 0 3 240.282 0.623 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)C3(F)CC3)C[C@@H]21 ZINC000843601440 588128754 /nfs/dbraw/zinc/12/87/54/588128754.db2.gz HTVNHVZWPMYPAD-BDAKNGLRSA-N 0 3 212.268 0.651 20 0 BCADHN CN1CCN(CCCNC(=O)C2(F)CC2)CC1 ZINC000843756751 588137906 /nfs/dbraw/zinc/13/79/06/588137906.db2.gz BWBBEEYPZLCYLY-UHFFFAOYSA-N 0 3 243.326 0.242 20 0 BCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C1(F)CC1 ZINC000843779020 588139627 /nfs/dbraw/zinc/13/96/27/588139627.db2.gz NJFZKDAIPZVZEA-ZJUUUORDSA-N 0 3 242.294 0.468 20 0 BCADHN CN(C)Cc1ccc(CN(C)C(=O)CO)cc1 ZINC000843780546 588139637 /nfs/dbraw/zinc/13/96/37/588139637.db2.gz FSHBLWCITJJOKR-UHFFFAOYSA-N 0 3 236.315 0.699 20 0 BCADHN C[C@@H]1[C@H](C(=O)[N-]OC[C@H]2CCOC2)CC[N@@H+]1C ZINC000843862659 588145936 /nfs/dbraw/zinc/14/59/36/588145936.db2.gz FZQZWTGKHQZHPI-OUAUKWLOSA-N 0 3 242.319 0.411 20 0 BCADHN C[C@@H]1[C@H](C(=O)[N-]OC[C@H]2CCOC2)CC[N@H+]1C ZINC000843862659 588145938 /nfs/dbraw/zinc/14/59/38/588145938.db2.gz FZQZWTGKHQZHPI-OUAUKWLOSA-N 0 3 242.319 0.411 20 0 BCADHN O=C(NC[C@H]1CCCN1CCCO)C1(F)CC1 ZINC000843898234 588148762 /nfs/dbraw/zinc/14/87/62/588148762.db2.gz MUPPKDZHVIPDHR-SNVBAGLBSA-N 0 3 244.310 0.452 20 0 BCADHN CCCN(C(=O)[C@H](CC)CO)[C@@H]1CCN(C)C1 ZINC000843990511 588153320 /nfs/dbraw/zinc/15/33/20/588153320.db2.gz UTKAZLHQDRZLDA-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN C/C=C\C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000844042934 588157788 /nfs/dbraw/zinc/15/77/88/588157788.db2.gz XQGZTFNYAPMAHJ-OMMCCPJFSA-N 0 3 239.319 0.141 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)[C@@H]1CCC(=O)C1 ZINC000844139032 588169965 /nfs/dbraw/zinc/16/99/65/588169965.db2.gz KUDLQYOBJOTMRH-WDEREUQCSA-N 0 3 238.331 0.956 20 0 BCADHN CCNCC(=O)NCc1cccc(N(C)C)c1 ZINC000844168973 588171347 /nfs/dbraw/zinc/17/13/47/588171347.db2.gz HNHPUFHWCNCHNP-UHFFFAOYSA-N 0 3 235.331 0.978 20 0 BCADHN CCNCC(=O)NCCc1nc2ccccc2[nH]1 ZINC000844166538 588171425 /nfs/dbraw/zinc/17/14/25/588171425.db2.gz DNYSFIJGLSZTLI-UHFFFAOYSA-N 0 3 246.314 0.831 20 0 BCADHN CCNCC(=O)NCCn1cnc2ccccc21 ZINC000844169116 588171505 /nfs/dbraw/zinc/17/15/05/588171505.db2.gz PMHJZTCPGDVOOD-UHFFFAOYSA-N 0 3 246.314 0.762 20 0 BCADHN CCN(CCc1ccccn1)C(=O)CN ZINC000844177478 588172216 /nfs/dbraw/zinc/17/22/16/588172216.db2.gz KMCBVYFCTMKIHW-UHFFFAOYSA-N 0 3 207.277 0.431 20 0 BCADHN CN(C(=O)C1(N)CCCC1)c1cn[nH]c1 ZINC000844190478 588172933 /nfs/dbraw/zinc/17/29/33/588172933.db2.gz HQEOPGFNSOVKSW-UHFFFAOYSA-N 0 3 208.265 0.644 20 0 BCADHN CC(C)(F)C(=O)N[C@@H]1CNCCC1(F)F ZINC000844197414 588173495 /nfs/dbraw/zinc/17/34/95/588173495.db2.gz MNWYXOJPEOWJGH-ZCFIWIBFSA-N 0 3 224.226 0.848 20 0 BCADHN CN(CC1CCOCC1)C(=O)[C@@]1(F)CCNC1 ZINC000844203157 588174026 /nfs/dbraw/zinc/17/40/26/588174026.db2.gz RWWKIUDKVCTVST-GFCCVEGCSA-N 0 3 244.310 0.573 20 0 BCADHN O=C1O[C@H](CN2CCC(O)CC2)CN1C1CC1 ZINC000844274261 588178942 /nfs/dbraw/zinc/17/89/42/588178942.db2.gz QJVMIDRSZZFKDZ-LLVKDONJSA-N 0 3 240.303 0.426 20 0 BCADHN O=C1O[C@H](CN2CCC[C@@H]2CO)CN1C1CC1 ZINC000844281251 588179934 /nfs/dbraw/zinc/17/99/34/588179934.db2.gz KXZKJDKQEVYSTR-GHMZBOCLSA-N 0 3 240.303 0.426 20 0 BCADHN COC(=O)[C@]1(F)CCN(C[C@H]2CCCN2C)C1 ZINC000844300912 588182379 /nfs/dbraw/zinc/18/23/79/588182379.db2.gz RTNPSPSZLLTFCE-PWSUYJOCSA-N 0 3 244.310 0.668 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844311924 588183640 /nfs/dbraw/zinc/18/36/40/588183640.db2.gz AUXUUJBTHAZJJF-MIMYLULJSA-N 0 3 240.303 0.425 20 0 BCADHN CC[C@H](CO)N(C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844333755 588185565 /nfs/dbraw/zinc/18/55/65/588185565.db2.gz LXFKEZBPIFVGGW-MWLCHTKSSA-N 0 3 242.319 0.672 20 0 BCADHN CCC[C@H](C)[C@H](CO)NCC1OCCO1 ZINC000844375479 588188238 /nfs/dbraw/zinc/18/82/38/588188238.db2.gz QSHSJAHCXMZKKP-UWVGGRQHSA-N 0 3 217.309 0.746 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1CC[C@@H]1CCOC1=O ZINC000844392943 588189636 /nfs/dbraw/zinc/18/96/36/588189636.db2.gz NUOADTGAZSYXDZ-OUAUKWLOSA-N 0 3 243.303 0.021 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1CC[C@H]1CCOC1=O ZINC000844401983 588190025 /nfs/dbraw/zinc/19/00/25/588190025.db2.gz NUOADTGAZSYXDZ-HBNTYKKESA-N 0 3 243.303 0.021 20 0 BCADHN O[C@H](Cn1cccn1)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453808 588195794 /nfs/dbraw/zinc/19/57/94/588195794.db2.gz RMRZCEJENXHQDW-LPEHRKFASA-N 0 3 243.257 0.441 20 0 BCADHN CON(C)C(=O)CCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844457107 588196123 /nfs/dbraw/zinc/19/61/23/588196123.db2.gz JEHCYQLOMMIKQX-OCAPTIKFSA-N 0 3 234.246 0.593 20 0 BCADHN CN1CCC(N2C(=O)N[C@@H](CCF)C2=O)CC1 ZINC000844711950 588214805 /nfs/dbraw/zinc/21/48/05/588214805.db2.gz DHMGNVJPZORXBX-VIFPVBQESA-N 0 3 243.282 0.361 20 0 BCADHN Cc1nonc1CC(=O)NC[C@H]1CCCN1C ZINC000845508259 588231465 /nfs/dbraw/zinc/23/14/65/588231465.db2.gz SULCSOIGDLWMAE-SECBINFHSA-N 0 3 238.291 0.131 20 0 BCADHN OCC(CO)NC[C@H]1CC1(Cl)Cl ZINC000846937759 588297526 /nfs/dbraw/zinc/29/75/26/588297526.db2.gz PHVBIMHXBTXDAR-RXMQYKEDSA-N 0 3 214.092 0.123 20 0 BCADHN C[C@@H](CN1CCCC1)OC(=O)c1cnn(C)n1 ZINC000845664763 588240186 /nfs/dbraw/zinc/24/01/86/588240186.db2.gz VRORWQWGTJXCAH-VIFPVBQESA-N 0 3 238.291 0.456 20 0 BCADHN COC/C(C)=C\C(=O)NC[C@@](C)(O)CN(C)C ZINC000845870690 588249092 /nfs/dbraw/zinc/24/90/92/588249092.db2.gz TZHCVMANLFDHEP-XTOZHPGHSA-N 0 3 244.335 0.008 20 0 BCADHN COC/C(C)=C\C(=O)NCCOCCN(C)C ZINC000845920122 588250616 /nfs/dbraw/zinc/25/06/16/588250616.db2.gz VFKYSIUTRJEBSI-LUAWRHEFSA-N 0 3 244.335 0.274 20 0 BCADHN CCON(C)C(=O)CNCC1(C)CC1 ZINC000846065334 588255389 /nfs/dbraw/zinc/25/53/89/588255389.db2.gz VOANCOPGIVORSR-UHFFFAOYSA-N 0 3 200.282 0.786 20 0 BCADHN CCN1C[C@@H](CNCc2cn(C)cn2)CC1=O ZINC000846090445 588256096 /nfs/dbraw/zinc/25/60/96/588256096.db2.gz AOHNZWCNUBCMJN-SNVBAGLBSA-N 0 3 236.319 0.378 20 0 BCADHN CC/C=C(\F)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000867417620 588264756 /nfs/dbraw/zinc/26/47/56/588264756.db2.gz CCPRPLDWYFCKRO-KSHIFHCESA-N 0 3 230.283 0.433 20 0 BCADHN CN1CCC(ONC(=O)C2CC(=O)C2)CC1 ZINC000846648562 588280319 /nfs/dbraw/zinc/28/03/19/588280319.db2.gz ZWKACEXQEJKONV-UHFFFAOYSA-N 0 3 226.276 0.108 20 0 BCADHN CN1CCC(ONC(=O)[C@@H]2CC23CC3)CC1 ZINC000846650978 588280772 /nfs/dbraw/zinc/28/07/72/588280772.db2.gz HMFFDESIKRTCKY-JTQLQIEISA-N 0 3 224.304 0.929 20 0 BCADHN COC[C@@H](C)CC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000846648297 588280910 /nfs/dbraw/zinc/28/09/10/588280910.db2.gz VZZNCGQJTZELMN-JTQLQIEISA-N 0 3 244.335 0.801 20 0 BCADHN C[C@@](O)(CNC(=O)CN)c1ccc(F)cc1F ZINC000846682884 588282499 /nfs/dbraw/zinc/28/24/99/588282499.db2.gz BYBULDCZZCHTGM-LLVKDONJSA-N 0 3 244.241 0.247 20 0 BCADHN O=C(N[C@H]1CC=CCC1)[C@]1(F)CCNC1 ZINC000846684747 588282501 /nfs/dbraw/zinc/28/25/01/588282501.db2.gz VYDAVDDQEWTKLM-ONGXEEELSA-N 0 3 212.268 0.913 20 0 BCADHN CC[C@H](N)C(=O)NC[C@](C)(O)c1ccsc1 ZINC000846683550 588282571 /nfs/dbraw/zinc/28/25/71/588282571.db2.gz JWFVJNKLFWOSOS-ONGXEEELSA-N 0 3 242.344 0.809 20 0 BCADHN CCNCC(=O)N1CCO[C@H](c2ccco2)C1 ZINC000846688364 588282745 /nfs/dbraw/zinc/28/27/45/588282745.db2.gz SHLYAFFAABEFEL-NSHDSACASA-N 0 3 238.287 0.789 20 0 BCADHN C[C@](O)(CNC(=O)CNC1CC1)c1ccco1 ZINC000846687604 588282866 /nfs/dbraw/zinc/28/28/66/588282866.db2.gz QAGPTMAUGJOASR-LBPRGKRZSA-N 0 3 238.287 0.355 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)[C@@H](CC)CO1 ZINC000846688487 588282925 /nfs/dbraw/zinc/28/29/25/588282925.db2.gz SPNOJXVZGQAAOM-ZDCRXTMVSA-N 0 3 226.320 0.750 20 0 BCADHN O=C(N1CC[C@@]2(CC2(F)F)C1)[C@@]1(F)CCNC1 ZINC000846701076 588283369 /nfs/dbraw/zinc/28/33/69/588283369.db2.gz PUUGLIUYOHEQBV-NXEZZACHSA-N 0 3 248.248 0.946 20 0 BCADHN CCN(C(=O)[C@@]1(F)CCNC1)[C@@H]1CCCOC1 ZINC000846697328 588283380 /nfs/dbraw/zinc/28/33/80/588283380.db2.gz NUCKXAXQIUCHLF-ZYHUDNBSSA-N 0 3 244.310 0.716 20 0 BCADHN CCNCC(=O)N1C[C@H](C)OCC12CCC2 ZINC000846695251 588283422 /nfs/dbraw/zinc/28/34/22/588283422.db2.gz AHDPYNHUJVSFPM-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CCNCC(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000846701328 588283488 /nfs/dbraw/zinc/28/34/88/588283488.db2.gz VRHYOZVOMOTFKA-SECBINFHSA-N 0 3 218.247 0.854 20 0 BCADHN CCN(CCOC)C[C@@H]1CN(CC)C(=O)O1 ZINC000846783860 588287972 /nfs/dbraw/zinc/28/79/72/588287972.db2.gz RQARHAAPACMUKI-SNVBAGLBSA-N 0 3 230.308 0.795 20 0 BCADHN O[C@H]1CCN(Cc2ccc3nonc3c2)C1 ZINC000846798923 588289258 /nfs/dbraw/zinc/28/92/58/588289258.db2.gz NEKMNPRUYBRYEO-VIFPVBQESA-N 0 3 219.244 0.789 20 0 BCADHN C[C@H]1CN(CCCc2cncn2C)CCN1C ZINC000846836026 588291956 /nfs/dbraw/zinc/29/19/56/588291956.db2.gz BDOVSKDXLZRTME-LBPRGKRZSA-N 0 3 236.363 0.989 20 0 BCADHN CCN1C[C@@H](CN2CC[C@](O)(CC)C2)OC1=O ZINC000846858959 588293798 /nfs/dbraw/zinc/29/37/98/588293798.db2.gz RGTMWTPVULCFSK-ZYHUDNBSSA-N 0 3 242.319 0.674 20 0 BCADHN CC[C@H](O)CN1CCN(c2ncc[nH]2)CC1 ZINC000846876279 588294660 /nfs/dbraw/zinc/29/46/60/588294660.db2.gz OVONDGGVPHQFPP-JTQLQIEISA-N 0 3 224.308 0.303 20 0 BCADHN OC[C@H]1[C@@H]2CN(Cc3ccc4nonc4c3)C[C@H]12 ZINC000846918020 588296765 /nfs/dbraw/zinc/29/67/65/588296765.db2.gz GUXUQKRKZDRXEC-URLYPYJESA-N 0 3 245.282 0.893 20 0 BCADHN COCC[C@H](C)N1CCN(OC)CC1 ZINC000846977312 588299787 /nfs/dbraw/zinc/29/97/87/588299787.db2.gz QEKRCGVWWXVFMA-JTQLQIEISA-N 0 3 202.298 0.590 20 0 BCADHN CC[C@@H]1OCC[C@H]1NC[C@H]1CN(CC)C(=O)O1 ZINC000846994243 588300868 /nfs/dbraw/zinc/30/08/68/588300868.db2.gz TXIHMGLVAUMMEI-AXFHLTTASA-N 0 3 242.319 0.984 20 0 BCADHN CCN1C[C@@H](CN(C)[C@H](C)CCO)OC1=O ZINC000847015902 588301715 /nfs/dbraw/zinc/30/17/15/588301715.db2.gz YKZQMFHADRIBHY-NXEZZACHSA-N 0 3 230.308 0.530 20 0 BCADHN C[C@@H](O)CN(C[C@@H]1CC2(CC2)C(=O)O1)C1CC1 ZINC000847104806 588306371 /nfs/dbraw/zinc/30/63/71/588306371.db2.gz KAUYSFWPJXJHKV-KOLCDFICSA-N 0 3 239.315 0.927 20 0 BCADHN CCONC(=O)c1ccn(CCN(C)C)n1 ZINC000847313208 588310657 /nfs/dbraw/zinc/31/06/57/588310657.db2.gz XNEQHHHQDBZPPQ-UHFFFAOYSA-N 0 3 226.280 0.126 20 0 BCADHN CCCN(C)CC(=O)N1CCCN(C=O)CC1 ZINC000847370755 588311646 /nfs/dbraw/zinc/31/16/46/588311646.db2.gz AMKNMCLIPGUGPR-UHFFFAOYSA-N 0 3 241.335 0.019 20 0 BCADHN CC[C@H](C(=O)N1CCCN(C=O)CC1)N(C)C ZINC000847370357 588311654 /nfs/dbraw/zinc/31/16/54/588311654.db2.gz AEEDQIBXRDLDQC-LLVKDONJSA-N 0 3 241.335 0.017 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCCCCCO)C1 ZINC000847661752 588324550 /nfs/dbraw/zinc/32/45/50/588324550.db2.gz FHWVRXUYRZKLQA-GFCCVEGCSA-N 0 3 242.363 0.997 20 0 BCADHN CC(=O)NCC(=O)OC[C@H](C)N1CCCCC1 ZINC000847964276 588345826 /nfs/dbraw/zinc/34/58/26/588345826.db2.gz ZRVHXJGLYRWFOC-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN C/C=C(/CC)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306009 588371696 /nfs/dbraw/zinc/37/16/96/588371696.db2.gz LJAFXGZIXSLOBR-FRZIUMITSA-N 0 3 238.331 0.620 20 0 BCADHN O=C(C=C1CCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306635 588371793 /nfs/dbraw/zinc/37/17/93/588371793.db2.gz WHNLOMNTZFOCQG-NWDGAFQWSA-N 0 3 236.315 0.374 20 0 BCADHN CN[C@@H](C)C(=O)NCCCc1c(C)noc1C ZINC000848400593 588377236 /nfs/dbraw/zinc/37/72/36/588377236.db2.gz IXKFSNIQAKMWMS-VIFPVBQESA-N 0 3 239.319 0.948 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H](O)c1ccccc1C ZINC000848399666 588377519 /nfs/dbraw/zinc/37/75/19/588377519.db2.gz WSTWOXPPRRBXMJ-JQWIXIFHSA-N 0 3 236.315 0.753 20 0 BCADHN CCOC(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C ZINC000848403631 588377914 /nfs/dbraw/zinc/37/79/14/588377914.db2.gz XJIVXGMOBYXQIV-DTWKUNHWSA-N 0 3 244.335 0.688 20 0 BCADHN NC[C@@H](NC(=O)c1ncccn1)C(F)(F)F ZINC000848438152 588384939 /nfs/dbraw/zinc/38/49/39/588384939.db2.gz QEVOIGCPCMIGAP-RXMQYKEDSA-N 0 3 234.181 0.096 20 0 BCADHN CS/C=C\C(=O)N[C@H](CN)C(F)(F)F ZINC000848438354 588385100 /nfs/dbraw/zinc/38/51/00/588385100.db2.gz IWVZMHSEXIHMCL-RLUJCOFPSA-N 0 3 228.239 0.869 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cc(Cl)ccn1 ZINC000848460206 588386296 /nfs/dbraw/zinc/38/62/96/588386296.db2.gz KMZZKBQODRNXMI-ZETCQYMHSA-N 0 3 227.695 0.959 20 0 BCADHN COC[C@@H](O)CCNCc1cnc(Cl)n1C ZINC000848544512 588393395 /nfs/dbraw/zinc/39/33/95/588393395.db2.gz MSWQIJQKSRPJQP-VIFPVBQESA-N 0 3 247.726 0.561 20 0 BCADHN CNC(=O)C[C@@H](C)NCc1cnc(Cl)n1C ZINC000848554873 588396819 /nfs/dbraw/zinc/39/68/19/588396819.db2.gz FLUHMUVRBQPZSX-SSDOTTSWSA-N 0 3 244.726 0.688 20 0 BCADHN Cn1c(Cl)ncc1CN[C@@H](CO)CCF ZINC000848557439 588397202 /nfs/dbraw/zinc/39/72/02/588397202.db2.gz HXERJJKFJQZNKZ-SSDOTTSWSA-N 0 3 235.690 0.884 20 0 BCADHN Cn1c(CN[C@H]2C[C@@H](C(N)=O)C2)cnc1Cl ZINC000848557433 588397361 /nfs/dbraw/zinc/39/73/61/588397361.db2.gz HSBJIASIPUODCT-KNVOCYPGSA-N 0 3 242.710 0.427 20 0 BCADHN C[C@H](N[C@@H]1CCc2c(nnn2C)C1)c1ncc[nH]1 ZINC000848562428 588397712 /nfs/dbraw/zinc/39/77/12/588397712.db2.gz DGRWWWCZNBJBSV-DTWKUNHWSA-N 0 3 246.318 0.746 20 0 BCADHN O=C1O[C@@H](CN[C@H]2CCOC2)CN1C1CC1 ZINC000848570729 588398676 /nfs/dbraw/zinc/39/86/76/588398676.db2.gz MQLVSPKAKWKNLJ-WPRPVWTQSA-N 0 3 226.276 0.348 20 0 BCADHN Cn1ncc(CN[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000848575360 588398838 /nfs/dbraw/zinc/39/88/38/588398838.db2.gz PDWPMQAURUCYJA-OLZOCXBDSA-N 0 3 249.362 0.922 20 0 BCADHN NC[C@@H](NC(=O)NN1CCCC1)C(F)(F)F ZINC000848598728 588401202 /nfs/dbraw/zinc/40/12/02/588401202.db2.gz QIWKHXSSLVMHJS-ZCFIWIBFSA-N 0 3 240.229 0.186 20 0 BCADHN CCONC(=O)N[C@@H](CN)C(F)(F)F ZINC000848597542 588401443 /nfs/dbraw/zinc/40/14/43/588401443.db2.gz PFMASTMNSURVNR-BYPYZUCNSA-N 0 3 215.175 0.127 20 0 BCADHN Cc1nc(COC(=O)C2CCN(C)C2=O)co1 ZINC000848742575 588410114 /nfs/dbraw/zinc/41/01/14/588410114.db2.gz JTNGEQFJRXZEHP-VIFPVBQESA-N 0 3 238.243 0.505 20 0 BCADHN CN(C)CCn1cc(CN2CCCC2)nn1 ZINC000849136200 588453731 /nfs/dbraw/zinc/45/37/31/588453731.db2.gz DQUVZLRZPPBYPY-UHFFFAOYSA-N 0 3 223.324 0.436 20 0 BCADHN CN(C)CCn1cc(-c2cncs2)nn1 ZINC000849136459 588454028 /nfs/dbraw/zinc/45/40/28/588454028.db2.gz FVXAFPXCZDPNJX-UHFFFAOYSA-N 0 3 223.305 0.963 20 0 BCADHN C[C@H](N)c1cn(-c2cccc(CO)c2)nn1 ZINC000849139200 588454152 /nfs/dbraw/zinc/45/41/52/588454152.db2.gz CTFXWLRGKNJXTD-QMMMGPOBSA-N 0 3 218.260 0.779 20 0 BCADHN Cc1cc(-n2cc([C@@H](C)N)nn2)n(C)n1 ZINC000849154191 588456781 /nfs/dbraw/zinc/45/67/81/588456781.db2.gz OPYRMWQVOUYYHI-SSDOTTSWSA-N 0 3 206.253 0.329 20 0 BCADHN CC(C)[C@@H](O)COC(=O)C1CCCN(C)C1=O ZINC000849791008 588499420 /nfs/dbraw/zinc/49/94/20/588499420.db2.gz CWMSHNGWTPYCOB-ZJUUUORDSA-N 0 3 243.303 0.415 20 0 BCADHN CCC(CC)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000849896322 588508628 /nfs/dbraw/zinc/50/86/28/588508628.db2.gz UFOFGROKQVWKHI-MRVPVSSYSA-N 0 3 248.348 0.830 20 0 BCADHN COc1cncc(CN[C@@H](C)Cn2cncn2)c1 ZINC000850093982 588519715 /nfs/dbraw/zinc/51/97/15/588519715.db2.gz NMLBUVOBOJDTEO-JTQLQIEISA-N 0 3 247.302 0.860 20 0 BCADHN CC[C@@H]1C[C@H](NC[C@@H](O)c2cnn(C)c2)CO1 ZINC000850160675 588522227 /nfs/dbraw/zinc/52/22/27/588522227.db2.gz XRBIVDSOEACIRS-QJPTWQEYSA-N 0 3 239.319 0.611 20 0 BCADHN CC[C@@H]1C[C@@H](NC2CN(C(=O)OC)C2)CO1 ZINC000850198626 588527093 /nfs/dbraw/zinc/52/70/93/588527093.db2.gz KPFMHFRMQFAEIR-PSASIEDQSA-N 0 3 228.292 0.594 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCC1(C)OCCO1 ZINC000850234207 588530446 /nfs/dbraw/zinc/53/04/46/588530446.db2.gz RMJTXIUCVSOPQS-OPRDCNLKSA-N 0 3 243.303 0.537 20 0 BCADHN O=[S@](CCN[C@H]1CCOC1)CC(F)(F)F ZINC000850348498 588536936 /nfs/dbraw/zinc/53/69/36/588536936.db2.gz NLRAVUIUIKJNOL-NZFNHWASSA-N 0 3 245.266 0.676 20 0 BCADHN COC[C@H](CCNCc1ccc(C)nn1)OC ZINC000850346686 588538038 /nfs/dbraw/zinc/53/80/38/588538038.db2.gz WUHOHWQOODFXMQ-LBPRGKRZSA-N 0 3 239.319 0.926 20 0 BCADHN Cc1cncc(CCNCc2cncnc2)n1 ZINC000850390568 588543282 /nfs/dbraw/zinc/54/32/82/588543282.db2.gz JNTGIWGTYMAFHV-UHFFFAOYSA-N 0 3 229.287 0.907 20 0 BCADHN CCCN1CC[C@H](NCc2cnn(CC)n2)C1 ZINC000850394999 588543783 /nfs/dbraw/zinc/54/37/83/588543783.db2.gz LLEOOWNCAKRLQE-NSHDSACASA-N 0 3 237.351 0.872 20 0 BCADHN CCCN1CC[C@@H](NCc2cnn(CC)n2)C1 ZINC000850394998 588543816 /nfs/dbraw/zinc/54/38/16/588543816.db2.gz LLEOOWNCAKRLQE-LLVKDONJSA-N 0 3 237.351 0.872 20 0 BCADHN CON(C)CCN[C@@H](C)c1cnn(C)c1 ZINC000850480254 588551164 /nfs/dbraw/zinc/55/11/64/588551164.db2.gz NZGAQPZYCLGFQJ-VIFPVBQESA-N 0 3 212.297 0.564 20 0 BCADHN C[C@H](CCO)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000850502015 588552878 /nfs/dbraw/zinc/55/28/78/588552878.db2.gz RGHXIERJYODWNJ-ZYHUDNBSSA-N 0 3 248.326 0.935 20 0 BCADHN CCS(=O)(=O)C1(CN[C@@H](C)CCO)CC1 ZINC000850558876 588560585 /nfs/dbraw/zinc/56/05/85/588560585.db2.gz VAHAZHUZGGWXLF-VIFPVBQESA-N 0 3 235.349 0.314 20 0 BCADHN C[C@@]1(CCNC(=O)[C@@H]2C[C@@H]2N)CC1(F)F ZINC000851644391 588612760 /nfs/dbraw/zinc/61/27/60/588612760.db2.gz POGUBZBSLUFRCF-BKPPORCPSA-N 0 3 218.247 0.885 20 0 BCADHN CCNCC(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000851645103 588612771 /nfs/dbraw/zinc/61/27/71/588612771.db2.gz GBPZWHXTOYZVMN-MWLCHTKSSA-N 0 3 212.293 0.091 20 0 BCADHN CCNCC(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000851645033 588612832 /nfs/dbraw/zinc/61/28/32/588612832.db2.gz DIKYAEZWKHSOCY-GFCCVEGCSA-N 0 3 233.315 0.982 20 0 BCADHN C[C@@H](N)C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000851644776 588612858 /nfs/dbraw/zinc/61/28/58/588612858.db2.gz WQVFOIMWXCQBKJ-BHNWBGBOSA-N 0 3 234.246 0.264 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000851644071 588612912 /nfs/dbraw/zinc/61/29/12/588612912.db2.gz JQALXYXDGBYORF-XKSSXDPKSA-N 0 3 248.273 0.525 20 0 BCADHN Cn1ncc(C2CCC2)c1CNC(=O)[C@@H]1C[C@@H]1N ZINC000851647982 588613109 /nfs/dbraw/zinc/61/31/09/588613109.db2.gz RHARHIZJNZFDDW-KOLCDFICSA-N 0 3 248.330 0.651 20 0 BCADHN N[C@@H]1CN(C(=O)N[C@@H]2C=CCC2)CC[C@H]1F ZINC000851668391 588613967 /nfs/dbraw/zinc/61/39/67/588613967.db2.gz FYCRMZINUMCXKO-OPRDCNLKSA-N 0 3 227.283 0.786 20 0 BCADHN O=C(N[C@@H]1C=CCC1)N1CCCNCC1 ZINC000851670731 588614168 /nfs/dbraw/zinc/61/41/68/588614168.db2.gz YJRWTFWYPPTDEB-SNVBAGLBSA-N 0 3 209.293 0.710 20 0 BCADHN NC(=O)C1CCN(CCOC(F)F)CC1 ZINC000851718026 588616071 /nfs/dbraw/zinc/61/60/71/588616071.db2.gz BVYQDEQYERBDCA-UHFFFAOYSA-N 0 3 222.235 0.423 20 0 BCADHN O[C@H](CN1CCC[C@H](O)C1)c1ccccn1 ZINC000851719169 588616877 /nfs/dbraw/zinc/61/68/77/588616877.db2.gz WIPVLCUNNVTQSK-CMPLNLGQSA-N 0 3 222.288 0.572 20 0 BCADHN CC1(C)OC[C@H](CCN2CCC(O)CC2)O1 ZINC000851722588 588617731 /nfs/dbraw/zinc/61/77/31/588617731.db2.gz OILXZECPWVOAFF-NSHDSACASA-N 0 3 229.320 0.985 20 0 BCADHN CNC(=O)CN(C)[C@@H]1CC[C@H](OC)C1 ZINC000851725813 588618166 /nfs/dbraw/zinc/61/81/66/588618166.db2.gz IOGNUXVFNSHJAD-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN CC1(C)OC[C@@H](CN2CCC(CO)CC2)O1 ZINC000851726942 588618248 /nfs/dbraw/zinc/61/82/48/588618248.db2.gz XPMQWGJECDFFJS-LLVKDONJSA-N 0 3 229.320 0.842 20 0 BCADHN CCN(CC(=O)N(C)C)[C@H]1CC[C@H](OC)C1 ZINC000851726018 588618257 /nfs/dbraw/zinc/61/82/57/588618257.db2.gz LBFJPLABVNBDLT-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN O=C1CC[C@@H](CN2CCCC[C@H]2CO)O1 ZINC000851729359 588619167 /nfs/dbraw/zinc/61/91/67/588619167.db2.gz LXSXDTZNWFVLQT-UWVGGRQHSA-N 0 3 213.277 0.539 20 0 BCADHN CC1(C)OC[C@@H](CN2CCC[C@@H]2CO)O1 ZINC000851736160 588620253 /nfs/dbraw/zinc/62/02/53/588620253.db2.gz GZSQKEFOKDYVCW-NXEZZACHSA-N 0 3 215.293 0.595 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CCCNC(=O)C2)C1 ZINC000851747148 588622258 /nfs/dbraw/zinc/62/22/58/588622258.db2.gz QQFKZNLVQHZMJQ-NXEZZACHSA-N 0 3 212.293 0.376 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCCNC(=O)C2)C1 ZINC000851747150 588622386 /nfs/dbraw/zinc/62/23/86/588622386.db2.gz QQFKZNLVQHZMJQ-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN c1nonc1CN1CC[C@@H](N2CCCC2)C1 ZINC000851747636 588622478 /nfs/dbraw/zinc/62/24/78/588622478.db2.gz HTVYUPFPEAZNFO-LLVKDONJSA-N 0 3 222.292 0.740 20 0 BCADHN COCCN(CCO)C[C@H]1COC(C)(C)O1 ZINC000851748578 588622566 /nfs/dbraw/zinc/62/25/66/588622566.db2.gz SZMBODNLNSMQBI-JTQLQIEISA-N 0 3 233.308 0.079 20 0 BCADHN CNC(=O)CCN(C)C[C@@H]1COC(C)(C)O1 ZINC000851749242 588622971 /nfs/dbraw/zinc/62/29/71/588622971.db2.gz WHPONEQXHAJEKL-SECBINFHSA-N 0 3 230.308 0.206 20 0 BCADHN C[C@@H]1CC[C@@H](C(N)=O)CN1CCOC(F)F ZINC000851750474 588623419 /nfs/dbraw/zinc/62/34/19/588623419.db2.gz BRZBWUYOBQBSQD-HTQZYQBOSA-N 0 3 236.262 0.811 20 0 BCADHN O=C1CC[C@@H](CN2CCC(CCO)CC2)O1 ZINC000851760475 588624307 /nfs/dbraw/zinc/62/43/07/588624307.db2.gz KVNVLHTXVHPMAP-NSHDSACASA-N 0 3 227.304 0.786 20 0 BCADHN CN(Cc1cnon1)[C@@H]1CCN(C2CC2)C1 ZINC000851769387 588625454 /nfs/dbraw/zinc/62/54/54/588625454.db2.gz SOEILAIDZMTPPQ-LLVKDONJSA-N 0 3 222.292 0.738 20 0 BCADHN CNC(=O)[C@@H]1CCCN(CCOC(F)F)C1 ZINC000851770094 588625600 /nfs/dbraw/zinc/62/56/00/588625600.db2.gz OFFIOOWYSMMETN-MRVPVSSYSA-N 0 3 236.262 0.684 20 0 BCADHN O=C1CC[C@H](CN2CCC[C@@H](OCCO)C2)O1 ZINC000851773033 588625907 /nfs/dbraw/zinc/62/59/07/588625907.db2.gz OUSZIYPPVDJWMJ-GHMZBOCLSA-N 0 3 243.303 0.165 20 0 BCADHN C[C@H](O)CCN(C)C[C@H]1COC(C)(C)O1 ZINC000851786095 588626183 /nfs/dbraw/zinc/62/61/83/588626183.db2.gz XHTMCRWUKSSGCZ-UWVGGRQHSA-N 0 3 217.309 0.841 20 0 BCADHN C[C@@H](O)CN(C)C[C@H]1COC(C)(C)O1 ZINC000851782976 588627700 /nfs/dbraw/zinc/62/77/00/588627700.db2.gz GBTZGRACYDFQFI-BDAKNGLRSA-N 0 3 203.282 0.451 20 0 BCADHN CN(C[C@H](O)C1CC1)C[C@@H]1COC(C)(C)O1 ZINC000851802892 588630828 /nfs/dbraw/zinc/63/08/28/588630828.db2.gz MPELHGGYEYIVQT-MNOVXSKESA-N 0 3 229.320 0.841 20 0 BCADHN CN(C[C@@H](O)C1CC1)C[C@@H]1COC(C)(C)O1 ZINC000851802891 588630942 /nfs/dbraw/zinc/63/09/42/588630942.db2.gz MPELHGGYEYIVQT-GHMZBOCLSA-N 0 3 229.320 0.841 20 0 BCADHN COC(CCN(CC(N)=O)C(C)(C)C)OC ZINC000851818896 588633325 /nfs/dbraw/zinc/63/33/25/588633325.db2.gz LUKRLIDRMOMOLI-UHFFFAOYSA-N 0 3 232.324 0.581 20 0 BCADHN COC[C@@H](CNC1(C(N)=O)CCCC1)OC ZINC000851846911 588634523 /nfs/dbraw/zinc/63/45/23/588634523.db2.gz KXGXJVCGTWXLMB-SECBINFHSA-N 0 3 230.308 0.036 20 0 BCADHN C[C@H](O)[C@H]1CCCN(C[C@@H]2CCC(=O)O2)C1 ZINC000851860254 588635675 /nfs/dbraw/zinc/63/56/75/588635675.db2.gz HQQNHAHYEBFZIH-DCAQKATOSA-N 0 3 227.304 0.785 20 0 BCADHN C[C@@H]1COCCN(C[C@H]2CCC(=O)O2)C1 ZINC000851866210 588635958 /nfs/dbraw/zinc/63/59/58/588635958.db2.gz LHOHNFGNXRESRY-VHSXEESVSA-N 0 3 213.277 0.660 20 0 BCADHN CC(=O)OC1CCN(CCc2cn[nH]n2)CC1 ZINC000851864802 588636450 /nfs/dbraw/zinc/63/64/50/588636450.db2.gz KNBARHJQTCVROF-UHFFFAOYSA-N 0 3 238.291 0.375 20 0 BCADHN COC[C@@H](CN1CCC(OC(C)=O)CC1)OC ZINC000851866106 588636539 /nfs/dbraw/zinc/63/65/39/588636539.db2.gz ICVRZXBZPNINNY-GFCCVEGCSA-N 0 3 245.319 0.675 20 0 BCADHN C[C@@H](CO)N(C)C[C@@H]1COC(C)(C)O1 ZINC000851866218 588636548 /nfs/dbraw/zinc/63/65/48/588636548.db2.gz KABZBIWGNFUCLS-DTWKUNHWSA-N 0 3 203.282 0.451 20 0 BCADHN CO[C@@H]1CC[C@@H](N(C)[C@H]2CCNC2=O)C1 ZINC000851870229 588637485 /nfs/dbraw/zinc/63/74/85/588637485.db2.gz AZRJCKLRADJJNF-BBBLOLIVSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@@H]1CN(C[C@H]2COC(C)(C)O2)C[C@@H]1O ZINC000851885770 588640162 /nfs/dbraw/zinc/64/01/62/588640162.db2.gz LIJALOMZIPIDMP-UTLUCORTSA-N 0 3 215.293 0.451 20 0 BCADHN COC[C@@H](CN1CCOCC[C@H]1C)OC ZINC000851907673 588642401 /nfs/dbraw/zinc/64/24/01/588642401.db2.gz VFPXXDAAIQOETI-GHMZBOCLSA-N 0 3 217.309 0.759 20 0 BCADHN C[C@H]1CCOCCN1C[C@@H]1CCC(=O)O1 ZINC000851907353 588642658 /nfs/dbraw/zinc/64/26/58/588642658.db2.gz TYUHWHWHZBAYGU-UWVGGRQHSA-N 0 3 213.277 0.803 20 0 BCADHN C[C@H](O)[C@H]1CCN(CCOC(F)F)C1 ZINC000851911904 588642827 /nfs/dbraw/zinc/64/28/27/588642827.db2.gz HAATVHYPBIFDLI-YUMQZZPRSA-N 0 3 209.236 0.928 20 0 BCADHN CN(CCOC(F)F)[C@@]1(CO)CCOC1 ZINC000851917641 588643374 /nfs/dbraw/zinc/64/33/74/588643374.db2.gz JSYXBSUGKOPUAH-SECBINFHSA-N 0 3 225.235 0.309 20 0 BCADHN O=C1CC[C@H](CN2CCOCC3(CC3)C2)O1 ZINC000851920270 588643663 /nfs/dbraw/zinc/64/36/63/588643663.db2.gz XZVZKVVKENMDAM-SNVBAGLBSA-N 0 3 225.288 0.804 20 0 BCADHN COC(=O)C[C@@H](NCc1cn[nH]c1)C1CC1 ZINC000851928896 588644862 /nfs/dbraw/zinc/64/48/62/588644862.db2.gz YNRFHVRPLNFMEA-SNVBAGLBSA-N 0 3 223.276 0.841 20 0 BCADHN COC(=O)C[C@H](NCc1cn[nH]c1)C1CC1 ZINC000851928895 588644926 /nfs/dbraw/zinc/64/49/26/588644926.db2.gz YNRFHVRPLNFMEA-JTQLQIEISA-N 0 3 223.276 0.841 20 0 BCADHN CCn1ncc(CN[C@H](C)[C@H]2CCOC2)n1 ZINC000851932233 588645193 /nfs/dbraw/zinc/64/51/93/588645193.db2.gz DAMAIHVYOHEIOX-ZJUUUORDSA-N 0 3 224.308 0.813 20 0 BCADHN Cc1cc(CN[C@H](CO)C2CC2)n(C)n1 ZINC000851933260 588645324 /nfs/dbraw/zinc/64/53/24/588645324.db2.gz PMIAFKPTUUZXOQ-LLVKDONJSA-N 0 3 209.293 0.589 20 0 BCADHN OCC[C@H]1CCCN1C[C@H](O)c1ccccn1 ZINC000851956483 588647732 /nfs/dbraw/zinc/64/77/32/588647732.db2.gz FTNORCPTCZUKGI-YPMHNXCESA-N 0 3 236.315 0.962 20 0 BCADHN COCCO[C@H]1CCN(C[C@@H]2CCC(=O)O2)C1 ZINC000851965886 588648325 /nfs/dbraw/zinc/64/83/25/588648325.db2.gz WTIRPLKRCXFFFO-QWRGUYRKSA-N 0 3 243.303 0.429 20 0 BCADHN CC[C@@]1(O)CCN(C[C@@H](O)c2ccccn2)C1 ZINC000851958225 588648389 /nfs/dbraw/zinc/64/83/89/588648389.db2.gz ZXZQUOZBOUBEBM-CHWSQXEVSA-N 0 3 236.315 0.962 20 0 BCADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1C[C@H]1CCC(=O)O1 ZINC000851966888 588648490 /nfs/dbraw/zinc/64/84/90/588648490.db2.gz SRQTZWJWPISEBF-LMLFDSFASA-N 0 3 227.304 0.926 20 0 BCADHN C[C@@H]1CCN(C[C@H](O)c2ccccn2)[C@H]1CO ZINC000851971523 588649399 /nfs/dbraw/zinc/64/93/99/588649399.db2.gz INSYDRINCLBPDQ-WXHSDQCUSA-N 0 3 236.315 0.818 20 0 BCADHN CC1(C)CN(C[C@H]2CCC(=O)O2)CC[C@H]1O ZINC000851969436 588649636 /nfs/dbraw/zinc/64/96/36/588649636.db2.gz ZWYDCCFJYXAHAW-NXEZZACHSA-N 0 3 227.304 0.785 20 0 BCADHN COCCN(CCC(OC)OC)[C@H]1CCOC1 ZINC000851993195 588653178 /nfs/dbraw/zinc/65/31/78/588653178.db2.gz HJTXCVOXZWAUGB-NSHDSACASA-N 0 3 247.335 0.733 20 0 BCADHN CC1(C)CN(C[C@@H]2COC(C)(C)O2)C[C@H]1O ZINC000851996801 588653636 /nfs/dbraw/zinc/65/36/36/588653636.db2.gz CNUMLKVUFCOUAM-NXEZZACHSA-N 0 3 229.320 0.841 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NC[C@@H](O)c1ccccn1 ZINC000852012727 588655192 /nfs/dbraw/zinc/65/51/92/588655192.db2.gz NUQIGZLVOZCXGG-JLLWLGSASA-N 0 3 249.314 0.229 20 0 BCADHN CCN(CCOCCO)C[C@H]1COC(C)(C)O1 ZINC000852016051 588655309 /nfs/dbraw/zinc/65/53/09/588655309.db2.gz TYJUUXHUXLCWMP-NSHDSACASA-N 0 3 247.335 0.469 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCCOC(F)F ZINC000852014070 588655555 /nfs/dbraw/zinc/65/55/55/588655555.db2.gz YQZMUADYZPVTJK-RNFRBKRXSA-N 0 3 222.235 0.340 20 0 BCADHN CO[C@@H](C)CN(C)C[C@H]1CCC(=O)O1 ZINC000852044982 588657616 /nfs/dbraw/zinc/65/76/16/588657616.db2.gz JINSZGKXHPKUMA-DTWKUNHWSA-N 0 3 201.266 0.659 20 0 BCADHN COCCOCCN(C)C[C@@H]1COC(C)(C)O1 ZINC000852053624 588657875 /nfs/dbraw/zinc/65/78/75/588657875.db2.gz CFOWNEIMRNNMSH-LLVKDONJSA-N 0 3 247.335 0.733 20 0 BCADHN CN1C[C@@H]2CCN(Cc3cnon3)[C@@H]2C1 ZINC000852076665 588659971 /nfs/dbraw/zinc/65/99/71/588659971.db2.gz VIIVUFWOFKUJBT-WCBMZHEXSA-N 0 3 208.265 0.206 20 0 BCADHN CN(C[C@H]1CCC(=O)O1)[C@@H]1CCC(=O)N(C)C1 ZINC000852086503 588660872 /nfs/dbraw/zinc/66/08/72/588660872.db2.gz RTPLFFHUPYYKLH-NXEZZACHSA-N 0 3 240.303 0.245 20 0 BCADHN CN(CCOC(F)F)[C@@H]1CCC(=O)N(C)C1 ZINC000852086681 588660975 /nfs/dbraw/zinc/66/09/75/588660975.db2.gz UHNQRGBYKUDFRS-MRVPVSSYSA-N 0 3 236.262 0.778 20 0 BCADHN CN1CC[C@]2(C1)CCCN(CC[S@@](C)=O)C2 ZINC000852104962 588663622 /nfs/dbraw/zinc/66/36/22/588663622.db2.gz HLJPSCIKVVBHAX-BLLLJJGKSA-N 0 3 244.404 0.783 20 0 BCADHN CC1(C)OC[C@@H](CCN2CCOC[C@H](O)C2)O1 ZINC000852111501 588664310 /nfs/dbraw/zinc/66/43/10/588664310.db2.gz BABCBBHLGDMDEJ-GHMZBOCLSA-N 0 3 245.319 0.221 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CCN(OC)CC2)C1 ZINC000852143800 588666840 /nfs/dbraw/zinc/66/68/40/588666840.db2.gz IBNSQUZTUHAVCS-GHMZBOCLSA-N 0 3 214.309 0.733 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C[C@@H]1COC(C)(C)O1 ZINC000852140965 588666976 /nfs/dbraw/zinc/66/69/76/588666976.db2.gz LZLDJEMPAWZBMC-OPRDCNLKSA-N 0 3 215.293 0.593 20 0 BCADHN C[C@@H]1C[C@H](O)CN(C[C@@H]2CCC(=O)O2)C1 ZINC000852148771 588667047 /nfs/dbraw/zinc/66/70/47/588667047.db2.gz AFTXFCOVZLAKKB-UTLUCORTSA-N 0 3 213.277 0.395 20 0 BCADHN C[C@@H]1C[C@H](O)CN(C[C@H]2COC(C)(C)O2)C1 ZINC000852150130 588667251 /nfs/dbraw/zinc/66/72/51/588667251.db2.gz QGYKIUCNRIGYSH-VWYCJHECSA-N 0 3 229.320 0.841 20 0 BCADHN CCNC(=O)C(C)(C)NCCOC(F)F ZINC000852155706 588667753 /nfs/dbraw/zinc/66/77/53/588667753.db2.gz KWAJVZDRWVJCFF-UHFFFAOYSA-N 0 3 224.251 0.730 20 0 BCADHN O=C1CC[C@H](CN2C[C@@H]3C[C@H]2CS3)O1 ZINC000852163156 588668990 /nfs/dbraw/zinc/66/89/90/588668990.db2.gz BRJHXFJNRXTIBQ-YIZRAAEISA-N 0 3 213.302 0.882 20 0 BCADHN CC(=O)N[C@H]1CCN(C[C@@H]2COC(C)(C)O2)C1 ZINC000852184978 588670446 /nfs/dbraw/zinc/67/04/46/588670446.db2.gz RSVITNOUCFFECY-WDEREUQCSA-N 0 3 242.319 0.348 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H]1COC(C)(C)O1 ZINC000852206096 588672019 /nfs/dbraw/zinc/67/20/19/588672019.db2.gz YEZNWPCLJPUUBP-OPRDCNLKSA-N 0 3 231.292 0.141 20 0 BCADHN O=C1CC[C@@H](CN2CCC(C3(O)CC3)CC2)O1 ZINC000852209601 588672127 /nfs/dbraw/zinc/67/21/27/588672127.db2.gz QHBYGNAMNQYIOD-NSHDSACASA-N 0 3 239.315 0.929 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1C[C@H]1COC(C)(C)O1 ZINC000852211715 588672730 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C[C@H](O)[C@H]1CCCN1CCN1CCOC1=O ZINC000852561116 588690554 /nfs/dbraw/zinc/69/05/54/588690554.db2.gz KBWIJWZCPZTYIU-VHSXEESVSA-N 0 3 228.292 0.284 20 0 BCADHN COCCCN(C)CCN(C)C(=O)OC ZINC000852569523 588691102 /nfs/dbraw/zinc/69/11/02/588691102.db2.gz QNSHDTLLXKWHGO-UHFFFAOYSA-N 0 3 218.297 0.653 20 0 BCADHN CCC[C@@H](O)CN(C)CCN(C)C(=O)OC ZINC000852569026 588691117 /nfs/dbraw/zinc/69/11/17/588691117.db2.gz ZBTUEEPXYHVWCE-SNVBAGLBSA-N 0 3 232.324 0.777 20 0 BCADHN O[C@H]1C[C@H](NCC2OCCO2)C12CCC2 ZINC000852583016 588692007 /nfs/dbraw/zinc/69/20/07/588692007.db2.gz POJRDOHSILFHRI-IUCAKERBSA-N 0 3 213.277 0.252 20 0 BCADHN O[C@H]1C[C@@H](NCC2OCCO2)C12CCC2 ZINC000852583014 588692013 /nfs/dbraw/zinc/69/20/13/588692013.db2.gz POJRDOHSILFHRI-BDAKNGLRSA-N 0 3 213.277 0.252 20 0 BCADHN O=C1OCCN1CCN1CC[C@H]2C[C@H]2C1 ZINC000852633681 588692600 /nfs/dbraw/zinc/69/26/00/588692600.db2.gz CPMFSKRBUZQYRX-UWVGGRQHSA-N 0 3 210.277 0.780 20 0 BCADHN O=C1CC[C@H](CN2CC[C@H]3COC[C@@H]3C2)O1 ZINC000852664370 588694613 /nfs/dbraw/zinc/69/46/13/588694613.db2.gz FFXQOTHKBQXGTD-GARJFASQSA-N 0 3 225.288 0.660 20 0 BCADHN COC(=O)/C(C)=C/CN1CCC2(COC2)C1 ZINC000852683119 588695301 /nfs/dbraw/zinc/69/53/01/588695301.db2.gz FCIPIIIKFJSHFN-XCVCLJGOSA-N 0 3 225.288 0.828 20 0 BCADHN COC[C@@H](C)N1CCC(N2CCOC2=O)CC1 ZINC000852723312 588698113 /nfs/dbraw/zinc/69/81/13/588698113.db2.gz QZEOOXGYQKWFEQ-SNVBAGLBSA-N 0 3 242.319 0.938 20 0 BCADHN c1ccc([C@H]2CCN(C[C@H]3CNCCO3)C2)nc1 ZINC000852750224 588699963 /nfs/dbraw/zinc/69/99/63/588699963.db2.gz ONISAQTVKNWIBH-QWHCGFSZSA-N 0 3 247.342 0.859 20 0 BCADHN Cc1nnsc1CN1CCNC[C@H]1C(F)F ZINC000852750159 588700208 /nfs/dbraw/zinc/70/02/08/588700208.db2.gz WXPJFPHNQAHCHX-ZETCQYMHSA-N 0 3 248.302 0.885 20 0 BCADHN COC[C@H](CN1CCNC[C@@H]1C(F)F)OC ZINC000852750152 588700225 /nfs/dbraw/zinc/70/02/25/588700225.db2.gz WVUDNEMTPFYOCH-DTWKUNHWSA-N 0 3 238.278 0.187 20 0 BCADHN COC(=O)NC1CCN(CCC[C@@H](C)O)CC1 ZINC000852765167 588700789 /nfs/dbraw/zinc/70/07/89/588700789.db2.gz MZBYSNLSTZYDBG-SNVBAGLBSA-N 0 3 244.335 0.968 20 0 BCADHN CCCOC(=O)[C@H](C)N1CC[C@@H](F)[C@H](N)C1 ZINC000852762600 588700954 /nfs/dbraw/zinc/70/09/54/588700954.db2.gz PZHFJJSBYBOZES-IVZWLZJFSA-N 0 3 232.299 0.699 20 0 BCADHN COC(=O)NC1CCN(CCC(C)=O)CC1 ZINC000852770575 588701321 /nfs/dbraw/zinc/70/13/21/588701321.db2.gz UCFGJUDZERQSPU-UHFFFAOYSA-N 0 3 228.292 0.786 20 0 BCADHN O=C(NC[C@H]1CCCO1)[C@@H]1NCC12CCCC2 ZINC000852772189 588701584 /nfs/dbraw/zinc/70/15/84/588701584.db2.gz KQAQRBXHDCVEJL-MNOVXSKESA-N 0 3 238.331 0.814 20 0 BCADHN O=C(NC1CCOCC1)[C@H]1NCC12CCCC2 ZINC000852771969 588701601 /nfs/dbraw/zinc/70/16/01/588701601.db2.gz WISCNTRVMFFQCF-LLVKDONJSA-N 0 3 238.331 0.814 20 0 BCADHN CC(C)CNC(=O)[C@@H]1NCC12CCOCC2 ZINC000852774775 588701864 /nfs/dbraw/zinc/70/18/64/588701864.db2.gz YZPYQFHJUKXMQV-JTQLQIEISA-N 0 3 226.320 0.527 20 0 BCADHN O=C(NCC1CC1)[C@H]1NCC12CCOCC2 ZINC000852784586 588702212 /nfs/dbraw/zinc/70/22/12/588702212.db2.gz OUWRVDHLXJVNEA-SNVBAGLBSA-N 0 3 224.304 0.281 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H](C2OCCO2)C1 ZINC000110843609 588702829 /nfs/dbraw/zinc/70/28/29/588702829.db2.gz QTUGCRIFKWNIEZ-VHSXEESVSA-N 0 3 242.319 0.335 20 0 BCADHN C[C@H](NN1C[C@@H](C)N[C@@H](C)C1)c1ncnn1C ZINC000852796590 588703458 /nfs/dbraw/zinc/70/34/58/588703458.db2.gz GDIPFWQTVVJZCB-AEJSXWLSSA-N 0 3 238.339 0.063 20 0 BCADHN Cc1csc(NC(=O)C2=NO[C@H](CN)C2)n1 ZINC000852799894 588703894 /nfs/dbraw/zinc/70/38/94/588703894.db2.gz IYHJYAXXITZVKE-LURJTMIESA-N 0 3 240.288 0.494 20 0 BCADHN COc1ccccc1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852800062 588704180 /nfs/dbraw/zinc/70/41/80/588704180.db2.gz LTWJLGJQAOEXFT-MRVPVSSYSA-N 0 3 249.270 0.737 20 0 BCADHN NC[C@H]1CC(C(=O)NC2CCCC2)=NO1 ZINC000852800830 588704198 /nfs/dbraw/zinc/70/41/98/588704198.db2.gz SPLDFICBNZPKAU-MRVPVSSYSA-N 0 3 211.265 0.149 20 0 BCADHN CC[C@@H]1CCCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852800698 588704316 /nfs/dbraw/zinc/70/43/16/588704316.db2.gz 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0 3 237.278 0.587 20 0 BCADHN CC1(CNC(=O)C2=NO[C@@H](CN)C2)CCC1 ZINC000852846691 588707863 /nfs/dbraw/zinc/70/78/63/588707863.db2.gz JWYUUVMZKKVQIX-MRVPVSSYSA-N 0 3 225.292 0.396 20 0 BCADHN CC1(CNC(=O)C2=NO[C@H](CN)C2)CCC1 ZINC000852846693 588707958 /nfs/dbraw/zinc/70/79/58/588707958.db2.gz JWYUUVMZKKVQIX-QMMMGPOBSA-N 0 3 225.292 0.396 20 0 BCADHN CC1(CNC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852847946 588708107 /nfs/dbraw/zinc/70/81/07/588708107.db2.gz ZMPDFKHTCSRYFL-SSDOTTSWSA-N 0 3 211.265 0.006 20 0 BCADHN CC[C@@H]1CCC[C@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852849460 588708125 /nfs/dbraw/zinc/70/81/25/588708125.db2.gz GCORFEPVAGMWKS-OPRDCNLKSA-N 0 3 239.319 0.785 20 0 BCADHN O=C(C=C1CC[NH2+]CC1)[N-]O[C@@H]1CCCCO1 ZINC000852856903 588708719 /nfs/dbraw/zinc/70/87/19/588708719.db2.gz XIPGJKRCDQMRIZ-GFCCVEGCSA-N 0 3 240.303 0.871 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1C[C@H](O)c2ccccc21 ZINC000852856472 588708897 /nfs/dbraw/zinc/70/88/97/588708897.db2.gz QQIOLFHSNYEGNJ-SWPVVBRQSA-N 0 3 220.272 0.628 20 0 BCADHN NC[C@@H]1CC(C(=O)Nc2ccc(F)cn2)=NO1 ZINC000852857589 588708915 /nfs/dbraw/zinc/70/89/15/588708915.db2.gz YBFFVGKHFDAYRN-ZETCQYMHSA-N 0 3 238.222 0.263 20 0 BCADHN COC(=O)c1occc1CNC(=O)[C@@H]1C[C@@H]1N ZINC000852862304 588709041 /nfs/dbraw/zinc/70/90/41/588709041.db2.gz ZEEHDPMYIDOAKF-SFYZADRCSA-N 0 3 238.243 0.030 20 0 BCADHN Cc1ccncc1NC(=O)C1=NO[C@H](CN)C1 ZINC000852860724 588709300 /nfs/dbraw/zinc/70/93/00/588709300.db2.gz INUVOFQATWYIRJ-QMMMGPOBSA-N 0 3 234.259 0.432 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2C[C@@H]2N)[C@H]1[C@@H]1CCCO1 ZINC000852872501 588709714 /nfs/dbraw/zinc/70/97/14/588709714.db2.gz GYPGHHSADNHMCR-RCWTZXSCSA-N 0 3 238.331 0.750 20 0 BCADHN CN(Cc1cccnc1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852873831 588709932 /nfs/dbraw/zinc/70/99/32/588709932.db2.gz FBTZEYQPQHNTSN-SNVBAGLBSA-N 0 3 248.286 0.144 20 0 BCADHN C[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C[C@@H]1C ZINC000852884261 588711164 /nfs/dbraw/zinc/71/11/64/588711164.db2.gz HRJRJJXALXZBFC-KXUCPTDWSA-N 0 3 239.319 0.595 20 0 BCADHN C[C@@H]1SCC[C@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852895695 588712156 /nfs/dbraw/zinc/71/21/56/588712156.db2.gz HEOCABWEXHIGJH-XLPZGREQSA-N 0 3 243.332 0.100 20 0 BCADHN CC[C@H](C)N(CC)C(=O)C1=NO[C@H](CN)C1 ZINC000852900132 588712378 /nfs/dbraw/zinc/71/23/78/588712378.db2.gz RCCLWVGNWWGVRL-IUCAKERBSA-N 0 3 227.308 0.737 20 0 BCADHN COCC1(N(C)C(=O)[C@]2(F)CCNC2)CC1 ZINC000852901413 588712502 /nfs/dbraw/zinc/71/25/02/588712502.db2.gz HMLFTZRNAYVGGI-NSHDSACASA-N 0 3 230.283 0.325 20 0 BCADHN CCC1(NC(=O)[C@@]2(F)CCNC2)CCOCC1 ZINC000852905603 588712571 /nfs/dbraw/zinc/71/25/71/588712571.db2.gz XHIVEDWVSYAOFG-GFCCVEGCSA-N 0 3 244.310 0.763 20 0 BCADHN CC(C)(F)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852907236 588712866 /nfs/dbraw/zinc/71/28/66/588712866.db2.gz HMEAQIBARHJZBJ-SSDOTTSWSA-N 0 3 231.271 0.344 20 0 BCADHN CCNCC(=O)N[C@H](C)c1nccn1CC ZINC000852912920 588712877 /nfs/dbraw/zinc/71/28/77/588712877.db2.gz IFJFUPCKLPRUCE-SECBINFHSA-N 0 3 224.308 0.690 20 0 BCADHN CCNCC(=O)Nc1ccnc(OCCO)c1 ZINC000852917485 588713172 /nfs/dbraw/zinc/71/31/72/588713172.db2.gz JKTPTVISCDWIBD-UHFFFAOYSA-N 0 3 239.275 0.001 20 0 BCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C=CC2CC2)n1 ZINC000852918441 588713282 /nfs/dbraw/zinc/71/32/82/588713282.db2.gz BCQWEXOJQSPFRG-ONEGZZNKSA-N 0 3 248.286 0.223 20 0 BCADHN CCC(F)(F)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000852919584 588713306 /nfs/dbraw/zinc/71/33/06/588713306.db2.gz ZWTUPEQXVIKRGS-RNFRBKRXSA-N 0 3 224.226 0.929 20 0 BCADHN Cc1cncn1CC(=O)OCc1c[nH]nn1 ZINC000860751751 589118406 /nfs/dbraw/zinc/11/84/06/589118406.db2.gz AVHZCTPQSJAKTP-UHFFFAOYSA-N 0 3 221.220 0.053 20 0 BCADHN CCOCC(=O)OC[C@@]1(C)C[C@@H](OC)CN1C ZINC000861338754 589161299 /nfs/dbraw/zinc/16/12/99/589161299.db2.gz DMQAHXABYAGIMW-ZYHUDNBSSA-N 0 3 245.319 0.675 20 0 BCADHN C/C=C/CNC(=O)N[C@H]1CNCCC1(F)F ZINC000861646985 589172771 /nfs/dbraw/zinc/17/27/71/589172771.db2.gz XVEFJTOOFVXLEZ-SGJFDWMWSA-N 0 3 233.262 0.859 20 0 BCADHN CC(C)CCOC(=O)NCCN(C)CCO ZINC000885800482 589173799 /nfs/dbraw/zinc/17/37/99/589173799.db2.gz FEBWKSFNMJNXCH-UHFFFAOYSA-N 0 3 232.324 0.683 20 0 BCADHN CCN(CCN)C(=O)C(=O)NCCC1CCC1 ZINC000861750354 589176360 /nfs/dbraw/zinc/17/63/60/589176360.db2.gz IIRICGLSOVOJAD-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN COCCNC(=S)NC1CCN(C)CC1 ZINC000013775611 589178213 /nfs/dbraw/zinc/17/82/13/589178213.db2.gz ZCPQFKKVVLQVRK-UHFFFAOYSA-N 0 3 231.365 0.191 20 0 BCADHN CN(C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC(=O)C3)C[C@H]21 ZINC000861914642 589183515 /nfs/dbraw/zinc/18/35/15/589183515.db2.gz VAZURELYQLAOFE-OHBODLIOSA-N 0 3 236.315 0.374 20 0 BCADHN CN1CCC(CC(=O)NC[C@@H]2COCO2)CC1 ZINC000861975870 589187626 /nfs/dbraw/zinc/18/76/26/589187626.db2.gz UWULDCVOOQMNMF-LLVKDONJSA-N 0 3 242.319 0.207 20 0 BCADHN Cc1c(F)nccc1CN1CC[C@@H](C(N)=O)C1 ZINC000862212123 589194033 /nfs/dbraw/zinc/19/40/33/589194033.db2.gz QBTVQUZXSCSBIS-SNVBAGLBSA-N 0 3 237.278 0.836 20 0 BCADHN CNC(=O)CCNCc1ccnc(F)c1C ZINC000862274810 589198619 /nfs/dbraw/zinc/19/86/19/589198619.db2.gz GWFMPRYCUZEXTH-UHFFFAOYSA-N 0 3 225.267 0.755 20 0 BCADHN Cc1c(F)nccc1CN[C@@H](C)CC(N)=O ZINC000862284842 589199547 /nfs/dbraw/zinc/19/95/47/589199547.db2.gz IKYPCFQRLWLDFR-ZETCQYMHSA-N 0 3 225.267 0.883 20 0 BCADHN CCON(CC)C(=O)CN[C@@H]1CCOC[C@@H]1C ZINC000862453794 589215556 /nfs/dbraw/zinc/21/55/56/589215556.db2.gz NJVVYPGKAWTAJA-WDEREUQCSA-N 0 3 244.335 0.801 20 0 BCADHN COC(=O)C1=CC[C@H](NCc2cncn2C)C1 ZINC000862465459 589215988 /nfs/dbraw/zinc/21/59/88/589215988.db2.gz IVCKZXQPQXFPMJ-JTQLQIEISA-N 0 3 235.287 0.772 20 0 BCADHN COC(=O)C1=CC[C@H](NC2CSC2)C1 ZINC000862466872 589216434 /nfs/dbraw/zinc/21/64/34/589216434.db2.gz RQRLKZLJTHBDAO-QMMMGPOBSA-N 0 3 213.302 0.953 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1CC[C@H]1SC ZINC000862538638 589218220 /nfs/dbraw/zinc/21/82/20/589218220.db2.gz CLTQZCKJHLGIGO-XHNCKOQMSA-N 0 3 232.349 0.878 20 0 BCADHN COC[C@H](C)CN[C@H](C)C(=O)N(C)OC ZINC000862542678 589218577 /nfs/dbraw/zinc/21/85/77/589218577.db2.gz WZTMVHLALLIRHV-RKDXNWHRSA-N 0 3 218.297 0.267 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CC[C@@H]1SC ZINC000862542029 589218857 /nfs/dbraw/zinc/21/88/57/589218857.db2.gz CLTQZCKJHLGIGO-VGMNWLOBSA-N 0 3 232.349 0.878 20 0 BCADHN CON(C)C(=O)[C@@H](C)NC[C@H]1CCC=CO1 ZINC000862542747 589218885 /nfs/dbraw/zinc/21/88/85/589218885.db2.gz ZDSBMULLUCTARI-NXEZZACHSA-N 0 3 228.292 0.677 20 0 BCADHN O=C1OC[C@@H]2CN(Cc3ccco3)C[C@H]12 ZINC000862544536 589219267 /nfs/dbraw/zinc/21/92/67/589219267.db2.gz AXEPLGDDJSOLGE-WPRPVWTQSA-N 0 3 207.229 0.884 20 0 BCADHN CCc1nn(C)cc1CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862546451 589219420 /nfs/dbraw/zinc/21/94/20/589219420.db2.gz MQJRWWNIMRRGNY-GHMZBOCLSA-N 0 3 249.314 0.587 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H]1CSCCS1 ZINC000119201859 589249835 /nfs/dbraw/zinc/24/98/35/589249835.db2.gz UAAXVFCKYJGEKZ-JGVFFNPUSA-N 0 3 234.390 0.689 20 0 BCADHN C[C@@H](CC(=O)NCCN1CC[C@@H](O)C1)C1CC1 ZINC000863323938 589279725 /nfs/dbraw/zinc/27/97/25/589279725.db2.gz NAIXFWDDKZDIOW-CMPLNLGQSA-N 0 3 240.347 0.605 20 0 BCADHN O=C(C=C1CCCC1)NCCN1CC[C@@H](O)C1 ZINC000863323905 589279765 /nfs/dbraw/zinc/27/97/65/589279765.db2.gz LRMIXBMFBRTPML-GFCCVEGCSA-N 0 3 238.331 0.670 20 0 BCADHN C/C=C/C=C\C(=O)NCCN1CC[C@@H](O)C1 ZINC000863330235 589280762 /nfs/dbraw/zinc/28/07/62/589280762.db2.gz XXEFTJRHTQVTCX-SWVIMVIYSA-N 0 3 224.304 0.302 20 0 BCADHN Clc1ncccc1CNC[C@H]1COCCN1 ZINC000863483107 589292536 /nfs/dbraw/zinc/29/25/36/589292536.db2.gz KPVNVDXLYVVMPC-JTQLQIEISA-N 0 3 241.722 0.813 20 0 BCADHN CN1CCC[C@H]1CNC(=O)[C@@H](O)c1ccccn1 ZINC000863504075 589295333 /nfs/dbraw/zinc/29/53/33/589295333.db2.gz XZFSAZRLZIKHCC-JQWIXIFHSA-N 0 3 249.314 0.325 20 0 BCADHN C/C=C/CN[C@@H]1CCN[C@H]1C(=O)OCC ZINC000863547056 589298328 /nfs/dbraw/zinc/29/83/28/589298328.db2.gz OMZWMDVHQXERKO-OTIHIVFHSA-N 0 3 212.293 0.446 20 0 BCADHN CCc1cc(=O)[n-]c(CN(C)C[C@@H](C)[NH3+])n1 ZINC000863568589 589300313 /nfs/dbraw/zinc/30/03/13/589300313.db2.gz LUTKPDXAUSAIFX-MRVPVSSYSA-N 0 3 224.308 0.524 20 0 BCADHN CO[C@H]1C[C@H](NC[C@H](O)c2ccccn2)C1 ZINC000863586355 589302119 /nfs/dbraw/zinc/30/21/19/589302119.db2.gz FLTURKMHRUBRCC-NHCYSSNCSA-N 0 3 222.288 0.882 20 0 BCADHN CO[C@H]1C[C@H](NC[C@@H](O)c2ccccn2)C1 ZINC000863586353 589302368 /nfs/dbraw/zinc/30/23/68/589302368.db2.gz FLTURKMHRUBRCC-CKYFFXLPSA-N 0 3 222.288 0.882 20 0 BCADHN C/C=C/C=C/C(=O)NCCN1CC[C@H](O)C1 ZINC000863830841 589322188 /nfs/dbraw/zinc/32/21/88/589322188.db2.gz XXEFTJRHTQVTCX-JWVODRKRSA-N 0 3 224.304 0.302 20 0 BCADHN C[C@@H](CC(=O)NCCN1CC[C@H](O)C1)C1CC1 ZINC000863831728 589322245 /nfs/dbraw/zinc/32/22/45/589322245.db2.gz NAIXFWDDKZDIOW-JQWIXIFHSA-N 0 3 240.347 0.605 20 0 BCADHN CO[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000863894243 589324267 /nfs/dbraw/zinc/32/42/67/589324267.db2.gz LLGVPKHIZGGMAR-LLVKDONJSA-N 0 3 226.320 0.718 20 0 BCADHN CO[C@@H]1CCN(C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000863968056 589329913 /nfs/dbraw/zinc/32/99/13/589329913.db2.gz DERBUNYSIXPHKP-JHJVBQTASA-N 0 3 243.347 0.619 20 0 BCADHN O=C1O[C@H](CNCc2cnc[nH]2)CN1C1CC1 ZINC000864049812 589334538 /nfs/dbraw/zinc/33/45/38/589334538.db2.gz LUKZHCOJPSJFCQ-SNVBAGLBSA-N 0 3 236.275 0.483 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1ccc(C(F)F)nc1 ZINC000864052134 589334735 /nfs/dbraw/zinc/33/47/35/589334735.db2.gz BIPNCRRQBUXVAJ-OIBJUYFYSA-N 0 3 246.257 0.851 20 0 BCADHN O[C@H](CNCc1c[nH]cn1)[C@@H]1CCCO1 ZINC000864049963 589335000 /nfs/dbraw/zinc/33/50/00/589335000.db2.gz PKYYCEXMCQLNLR-ZJUUUORDSA-N 0 3 211.265 0.039 20 0 BCADHN O[C@H](CNCc1cnc[nH]1)[C@@H]1CCCO1 ZINC000864049963 589335002 /nfs/dbraw/zinc/33/50/02/589335002.db2.gz PKYYCEXMCQLNLR-ZJUUUORDSA-N 0 3 211.265 0.039 20 0 BCADHN C/C=C\[C@@H](O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000864061818 589336785 /nfs/dbraw/zinc/33/67/85/589336785.db2.gz BNIGAVASBZMFNH-ISALQUGTSA-N 0 3 240.347 0.866 20 0 BCADHN C[C@@]1(NC(=O)[C@H]2C[C@@H](O)C2)CN2CCC1CC2 ZINC000864085153 589342164 /nfs/dbraw/zinc/34/21/64/589342164.db2.gz RJVDMEQPUDYXDU-SUZMYJTESA-N 0 3 238.331 0.358 20 0 BCADHN CC[C@](C)(O)CNC(=O)C1(N(C)C)CCC1 ZINC000120093882 589375620 /nfs/dbraw/zinc/37/56/20/589375620.db2.gz UNUUZZLGMQVMLE-NSHDSACASA-N 0 3 228.336 0.748 20 0 BCADHN CN(C)c1cc(Cn2ccnc2CN)ccn1 ZINC000864619736 589384397 /nfs/dbraw/zinc/38/43/97/589384397.db2.gz JDMUNHZCXKUGLS-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN CCO[N-]C(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC ZINC000864688409 589389779 /nfs/dbraw/zinc/38/97/79/589389779.db2.gz ALVIIJVYPFAROX-BDAKNGLRSA-N 0 3 200.282 0.784 20 0 BCADHN C[C@H](C(=O)C1CC1)n1cc([C@H](C)N)nn1 ZINC000864641491 589385899 /nfs/dbraw/zinc/38/58/99/589385899.db2.gz BEMJUKNSCZSCCN-NKWVEPMBSA-N 0 3 208.265 0.838 20 0 BCADHN C[C@@H](N)c1cn([C@@H](C)C(=O)C2CC2)nn1 ZINC000864641493 589386132 /nfs/dbraw/zinc/38/61/32/589386132.db2.gz BEMJUKNSCZSCCN-RQJHMYQMSA-N 0 3 208.265 0.838 20 0 BCADHN CCCC(=O)c1cn(C[C@@H]2CNCCO2)nn1 ZINC000864651356 589388059 /nfs/dbraw/zinc/38/80/59/589388059.db2.gz YTSLTEAIJPKWNE-VIFPVBQESA-N 0 3 238.291 0.249 20 0 BCADHN O=C1OCC[C@H]1CCN(CCO)C1CC1 ZINC000120170736 589389176 /nfs/dbraw/zinc/38/91/76/589389176.db2.gz PUMDZNALAYASLR-SECBINFHSA-N 0 3 213.277 0.396 20 0 BCADHN CCO[N-]C(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000864688409 589389777 /nfs/dbraw/zinc/38/97/77/589389777.db2.gz ALVIIJVYPFAROX-BDAKNGLRSA-N 0 3 200.282 0.784 20 0 BCADHN CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000864733497 589392134 /nfs/dbraw/zinc/39/21/34/589392134.db2.gz UKUITXQMBJBMLF-QMMMGPOBSA-N 0 3 245.323 0.187 20 0 BCADHN COC/C=C/C(=O)NC[C@@H](C)N(C)C ZINC000864828739 589397024 /nfs/dbraw/zinc/39/70/24/589397024.db2.gz SXGIBNNQVROBSN-VUHVRTRXSA-N 0 3 200.282 0.255 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1CCC(=O)O1 ZINC000865008296 589404949 /nfs/dbraw/zinc/40/49/49/589404949.db2.gz YCPWZNZRNOBWFJ-WCBMZHEXSA-N 0 3 238.287 0.045 20 0 BCADHN COC/C=C\C(=O)N1CCC[C@@H]1CN(C)C ZINC000865124444 589409724 /nfs/dbraw/zinc/40/97/24/589409724.db2.gz BGQONMFMNFNKLJ-JPVGGKMYSA-N 0 3 226.320 0.742 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@H]1CCC(=O)O1 ZINC000865176676 589412746 /nfs/dbraw/zinc/41/27/46/589412746.db2.gz WDAXNQWNQBUDOW-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN COC/C=C/C(=O)N[C@@H]1CCCN(C)C1 ZINC000865183883 589413439 /nfs/dbraw/zinc/41/34/39/589413439.db2.gz MVZSUVBDLZHRQW-DFVUYQKZSA-N 0 3 212.293 0.399 20 0 BCADHN C[C@@H]1C[C@H](NC(=S)NCCN(C)C)[C@@H](C)O1 ZINC000865248100 589415434 /nfs/dbraw/zinc/41/54/34/589415434.db2.gz KUIWWGWMGBHCML-BBBLOLIVSA-N 0 3 245.392 0.578 20 0 BCADHN C[C@H]1NC(=S)N(CCN2CCCC2)C1=O ZINC000015570310 589419604 /nfs/dbraw/zinc/41/96/04/589419604.db2.gz SDLOUSPAZXNSPY-MRVPVSSYSA-N 0 3 227.333 0.187 20 0 BCADHN C[C@@H]1NC(=S)N(C2CCN(C)CC2)C1=O ZINC000015570553 589419829 /nfs/dbraw/zinc/41/98/29/589419829.db2.gz PKFLHIJUHPDYEZ-ZETCQYMHSA-N 0 3 227.333 0.186 20 0 BCADHN CC(C)(C)[C@H](NCC[C@H]1CCOC1=O)C(N)=O ZINC000120505762 589423002 /nfs/dbraw/zinc/42/30/02/589423002.db2.gz YMTWCEYXKDMUHA-DTWKUNHWSA-N 0 3 242.319 0.429 20 0 BCADHN O=c1ccc(CNC[C@@H]2COCCO2)c[nH]1 ZINC000865419369 589435141 /nfs/dbraw/zinc/43/51/41/589435141.db2.gz RBTQKFAFJNTZLV-SNVBAGLBSA-N 0 3 224.260 0.292 20 0 BCADHN Cn1ncc2cc(CN[C@@H](CO)C3CC3)cnc21 ZINC000865465396 589437997 /nfs/dbraw/zinc/43/79/97/589437997.db2.gz YWWUDKMTYKNBAN-LBPRGKRZSA-N 0 3 246.314 0.829 20 0 BCADHN Cn1ncc2cc(CNCCN3CCC3)cnc21 ZINC000865508832 589442421 /nfs/dbraw/zinc/44/24/21/589442421.db2.gz RKYZGIUZEQZCKO-UHFFFAOYSA-N 0 3 245.330 0.764 20 0 BCADHN CN(C)c1ccc(F)cc1CNC[C@@H](O)CO ZINC000865547886 589445399 /nfs/dbraw/zinc/44/53/99/589445399.db2.gz NRCYGPXECFEACE-LLVKDONJSA-N 0 3 242.294 0.335 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@H]2CCC(=O)O2)C1 ZINC000865609435 589450733 /nfs/dbraw/zinc/45/07/33/589450733.db2.gz LTZJZZGAMCLMPH-VHSXEESVSA-N 0 3 240.303 0.150 20 0 BCADHN COC/C=C/C(=O)NC[C@@H]1CCCN(C)C1 ZINC000865608926 589450897 /nfs/dbraw/zinc/45/08/97/589450897.db2.gz PJPLIGWAYUHQGC-MALLOTDXSA-N 0 3 226.320 0.647 20 0 BCADHN CCN1CCCN(C(=O)[C@H]2CCC(=O)O2)CC1 ZINC000865620315 589451726 /nfs/dbraw/zinc/45/17/26/589451726.db2.gz ULVUSFUGOSTJRH-SNVBAGLBSA-N 0 3 240.303 0.246 20 0 BCADHN Cn1cc(CN[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cn1 ZINC000865691636 589456328 /nfs/dbraw/zinc/45/63/28/589456328.db2.gz CVUNJZFHPOIAFF-NWBUJAPZSA-N 0 3 233.315 0.933 20 0 BCADHN COc1cc(C)ccc1CNC[C@@H](O)[C@@H](C)O ZINC000865737977 589459476 /nfs/dbraw/zinc/45/94/76/589459476.db2.gz INMGQDACEOVRSL-ZYHUDNBSSA-N 0 3 239.315 0.835 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1ccc2c(c1)ncn2C ZINC000865738652 589459610 /nfs/dbraw/zinc/45/96/10/589459610.db2.gz IORVZAHYCHMPKP-RNCFNFMXSA-N 0 3 249.314 0.405 20 0 BCADHN Cc1nn(C(C)C)cc1CNC[C@H](O)[C@H](C)O ZINC000865738076 589459793 /nfs/dbraw/zinc/45/97/93/589459793.db2.gz BVNJXHVQDNUDKA-JQWIXIFHSA-N 0 3 241.335 0.604 20 0 BCADHN CCOc1cncc(CNC[C@H](O)[C@H](C)O)c1 ZINC000865739112 589459893 /nfs/dbraw/zinc/45/98/93/589459893.db2.gz RYGRWZLCPQVMRO-CABZTGNLSA-N 0 3 240.303 0.312 20 0 BCADHN COc1ccsc1CNC[C@H](O)[C@@H](C)O ZINC000865738633 589459953 /nfs/dbraw/zinc/45/99/53/589459953.db2.gz HZRXIHBRLGMJQU-SFYZADRCSA-N 0 3 231.317 0.588 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1c(C2CC2)cnn1C ZINC000865739320 589459965 /nfs/dbraw/zinc/45/99/65/589459965.db2.gz UPDSNUKFLMZURI-PRHODGIISA-N 0 3 239.319 0.129 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1scnc1C1CC1 ZINC000865739535 589460012 /nfs/dbraw/zinc/46/00/12/589460012.db2.gz RIFNTZPZGCXMLQ-IONNQARKSA-N 0 3 242.344 0.852 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCC1=Cc2ccccc2OC1 ZINC000865742304 589460099 /nfs/dbraw/zinc/46/00/99/589460099.db2.gz YCGJVSYAOMNRPF-MFKMUULPSA-N 0 3 249.310 0.794 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1ccccc1N(C)C ZINC000865741976 589460235 /nfs/dbraw/zinc/46/02/35/589460235.db2.gz VMEADEDBPNKVBW-ZWNOBZJWSA-N 0 3 238.331 0.584 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cnc2ccccn12 ZINC000865740373 589460278 /nfs/dbraw/zinc/46/02/78/589460278.db2.gz GQBKLWOHLQMBNH-ONGXEEELSA-N 0 3 235.287 0.166 20 0 BCADHN COc1cc(CNC[C@@H](O)[C@@H](C)O)ccc1C ZINC000865739758 589460299 /nfs/dbraw/zinc/46/02/99/589460299.db2.gz USEHRUZDBLVGCZ-ZYHUDNBSSA-N 0 3 239.315 0.835 20 0 BCADHN c1cc(N2CC(NC[C@@H]3CCCOC3)C2)ncn1 ZINC000865749728 589460677 /nfs/dbraw/zinc/46/06/77/589460677.db2.gz WNQWXZZSJXLDJB-NSHDSACASA-N 0 3 248.330 0.681 20 0 BCADHN Cc1nc(F)ccc1CN[C@@H]1COCC[C@H]1O ZINC000865749933 589460798 /nfs/dbraw/zinc/46/07/98/589460798.db2.gz IUJMZLUIOWQLAY-GHMZBOCLSA-N 0 3 240.278 0.769 20 0 BCADHN Cn1ccnc1CNc1cc2n(n1)CCN(C)C2 ZINC000865844319 589464719 /nfs/dbraw/zinc/46/47/19/589464719.db2.gz IWYQTKJHRZDDDV-UHFFFAOYSA-N 0 3 246.318 0.674 20 0 BCADHN COC/C=C/C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000865894420 589467609 /nfs/dbraw/zinc/46/76/09/589467609.db2.gz MQJZHKYAJBCXMN-PZBABLGHSA-N 0 3 240.347 0.989 20 0 BCADHN CC(C)(O)CN1CC[C@H](Nc2cnccn2)C1 ZINC000865997234 589472011 /nfs/dbraw/zinc/47/20/11/589472011.db2.gz VSRONDYDLQZMEW-JTQLQIEISA-N 0 3 236.319 0.734 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)c1nccc(N)n1 ZINC000866010630 589472448 /nfs/dbraw/zinc/47/24/48/589472448.db2.gz FOALTMCLVJTIMM-VIFPVBQESA-N 0 3 249.318 0.055 20 0 BCADHN COC/C=C\C(=O)N(C)CCN(C)C ZINC000866309275 589485681 /nfs/dbraw/zinc/48/56/81/589485681.db2.gz FAENHMVBIONSRP-WAYWQWQTSA-N 0 3 200.282 0.209 20 0 BCADHN COC/C=C/C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000866540377 589499652 /nfs/dbraw/zinc/49/96/52/589499652.db2.gz NAKJPNBOABSKEN-ISBNUJHVSA-N 0 3 238.331 0.788 20 0 BCADHN CC1(C)C[C@H](O)CN(C[C@@H]2CNCCO2)C1 ZINC000866702711 589514015 /nfs/dbraw/zinc/51/40/15/589514015.db2.gz FMNOEGYUODDUMG-QWRGUYRKSA-N 0 3 228.336 0.068 20 0 BCADHN [NH3+][C@H]1C[C@@H](C[N-]S(=O)(=O)c2cscn2)C1 ZINC000866806465 589519166 /nfs/dbraw/zinc/51/91/66/589519166.db2.gz YVXZQXMGAMIDAY-KNVOCYPGSA-N 0 3 247.345 0.159 20 0 BCADHN [NH3+][C@H]1C[C@H](C[N-]S(=O)(=O)c2cscn2)C1 ZINC000866807623 589519174 /nfs/dbraw/zinc/51/91/74/589519174.db2.gz YVXZQXMGAMIDAY-LJGSYFOKSA-N 0 3 247.345 0.159 20 0 BCADHN CN1CC[C@@H]2CN(S(=O)(=O)C3CC3)CC[C@@H]21 ZINC000867812480 589535466 /nfs/dbraw/zinc/53/54/66/589535466.db2.gz KEYMAEUYBAOHAA-KOLCDFICSA-N 0 3 244.360 0.505 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H]1CCC12CCOCC2 ZINC000867993714 589542654 /nfs/dbraw/zinc/54/26/54/589542654.db2.gz ZWHNRHUMHRAASN-WDEREUQCSA-N 0 3 240.347 0.917 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H]1c2ccccc2CN1C ZINC000867999154 589543086 /nfs/dbraw/zinc/54/30/86/589543086.db2.gz SXZMZKXOWJOHKX-GXFFZTMASA-N 0 3 247.342 0.897 20 0 BCADHN NCCC(=O)NC[C@H]1CC(=O)c2ccccc2O1 ZINC000867997422 589543151 /nfs/dbraw/zinc/54/31/51/589543151.db2.gz WNBXHBJPCFVPFH-SECBINFHSA-N 0 3 248.282 0.485 20 0 BCADHN C[C@@H](N)C(=O)NCCc1cn(C)c2ncccc12 ZINC000867999685 589543386 /nfs/dbraw/zinc/54/33/86/589543386.db2.gz KDHRPESTEISPKS-SECBINFHSA-N 0 3 246.314 0.579 20 0 BCADHN CN[C@@H](C)C(=O)NCc1nn(C)cc1C(F)F ZINC000867999301 589543645 /nfs/dbraw/zinc/54/36/45/589543645.db2.gz YTQAJPAJZUTNGE-LURJTMIESA-N 0 3 246.261 0.582 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000868065613 589547951 /nfs/dbraw/zinc/54/79/51/589547951.db2.gz CCZAYTMNTLOTRB-KUYXLPFXSA-N 0 3 238.331 0.509 20 0 BCADHN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NOCCN(C)C ZINC000868627958 589569064 /nfs/dbraw/zinc/56/90/64/589569064.db2.gz DSWAUNGFIFNCNY-VPOLOUISSA-N 0 3 226.320 0.888 20 0 BCADHN CN(C)CCONC(=O)C1CC2(CSC2)C1 ZINC000868628549 589569289 /nfs/dbraw/zinc/56/92/89/589569289.db2.gz ZNWAXODREIZPCV-UHFFFAOYSA-N 0 3 244.360 0.739 20 0 BCADHN Cc1oc(C(=O)NOCCN(C)C)cc1CO ZINC000868629814 589569581 /nfs/dbraw/zinc/56/95/81/589569581.db2.gz SRERCKBFNUYPSK-UHFFFAOYSA-N 0 3 242.275 0.303 20 0 BCADHN Cc1cccc(CN(C)C[C@H](O)CO)c1 ZINC000122268183 589573738 /nfs/dbraw/zinc/57/37/38/589573738.db2.gz VOUGFMIVDXGJCL-LBPRGKRZSA-N 0 3 209.289 0.780 20 0 BCADHN CCN(C(=O)[C@H]1CCC(=O)O1)[C@H]1CCN(C)C1 ZINC000869237749 589593156 /nfs/dbraw/zinc/59/31/56/589593156.db2.gz AWIMQJDZWVNUEK-VHSXEESVSA-N 0 3 240.303 0.245 20 0 BCADHN CC(C)=CC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869785827 589630214 /nfs/dbraw/zinc/63/02/14/589630214.db2.gz GPTAGFNLLRBOJF-NSHDSACASA-N 0 3 240.347 0.914 20 0 BCADHN CNC(=S)NC[C@@H]1CCCN(C)C1 ZINC000122981621 589647298 /nfs/dbraw/zinc/64/72/98/589647298.db2.gz YOKCZAVBIBRZED-QMMMGPOBSA-N 0 3 201.339 0.422 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)[C@H](CC)NC(C)=O ZINC000870545410 589673227 /nfs/dbraw/zinc/67/32/27/589673227.db2.gz MDHPDXRKYAUBQR-MNOVXSKESA-N 0 3 244.335 0.785 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)c1nnn(C)c1C ZINC000870551156 589674054 /nfs/dbraw/zinc/67/40/54/589674054.db2.gz LVZHFGCQXWPOKW-VIFPVBQESA-N 0 3 240.307 0.621 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)[C@H]1CCNC(=O)C1 ZINC000870549863 589674315 /nfs/dbraw/zinc/67/43/15/589674315.db2.gz JAUSIAJUXTXYQS-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)CCn1ccnn1 ZINC000870552256 589675147 /nfs/dbraw/zinc/67/51/47/589675147.db2.gz DZNUQFCEOAZPCB-JTQLQIEISA-N 0 3 240.307 0.552 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)Cc1ccnn1C ZINC000870553941 589675466 /nfs/dbraw/zinc/67/54/66/589675466.db2.gz VVAMAVMEURDPDM-NSHDSACASA-N 0 3 239.319 0.846 20 0 BCADHN CCC(=O)N[C@@H](C)C(=O)O[C@@H](CC)CN(C)C ZINC000870555184 589675475 /nfs/dbraw/zinc/67/54/75/589675475.db2.gz SCFKQKLPNVCMGU-UWVGGRQHSA-N 0 3 244.335 0.785 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)[C@H]1CCC(=O)N1C ZINC000870553537 589675494 /nfs/dbraw/zinc/67/54/94/589675494.db2.gz LZMGPIIEZVGXEX-VHSXEESVSA-N 0 3 242.319 0.491 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)C1CN(C(C)=O)C1 ZINC000870553498 589675917 /nfs/dbraw/zinc/67/59/17/589675917.db2.gz LMYSVUIRLUNXEQ-NSHDSACASA-N 0 3 242.319 0.348 20 0 BCADHN COC[C@H](OC)C(=O)O[C@@H](CN(C)C)C(C)C ZINC000870564699 589676504 /nfs/dbraw/zinc/67/65/04/589676504.db2.gz KTGIZAHGPVHZMZ-QWRGUYRKSA-N 0 3 247.335 0.777 20 0 BCADHN CC(C)[C@H](CN(C)C)OC(=O)CC1OCCO1 ZINC000870567118 589676529 /nfs/dbraw/zinc/67/65/29/589676529.db2.gz NBTPWPRSGYUIFT-JTQLQIEISA-N 0 3 245.319 0.879 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@H]2CSC[C@H]2C1 ZINC000870981860 589704587 /nfs/dbraw/zinc/70/45/87/589704587.db2.gz KJWDYOKFCGSSGS-HRDYMLBCSA-N 0 3 214.334 0.545 20 0 BCADHN O=C(CNC1CC1)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000870981824 589703585 /nfs/dbraw/zinc/70/35/85/589703585.db2.gz KCLRRQBKOJFUBO-ZJUUUORDSA-N 0 3 240.372 0.950 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000870980056 589704646 /nfs/dbraw/zinc/70/46/46/589704646.db2.gz IRAQEQJFLOXROX-AEJSXWLSSA-N 0 3 228.361 0.806 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000870985006 589705853 /nfs/dbraw/zinc/70/58/53/589705853.db2.gz GVGPLLPMVTYRKM-ZJUUUORDSA-N 0 3 228.336 0.589 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000870984742 589706004 /nfs/dbraw/zinc/70/60/04/589706004.db2.gz CPNLRSKTCPMMHZ-MNOVXSKESA-N 0 3 242.363 0.979 20 0 BCADHN CN1CCn2nc(NC(=O)C(C)(C)N)cc2C1 ZINC000871011621 589711254 /nfs/dbraw/zinc/71/12/54/589711254.db2.gz WKWQTHMFKHJKPZ-UHFFFAOYSA-N 0 3 237.307 0.004 20 0 BCADHN O=C(CNCC1CC1)Nc1ccn(CCF)n1 ZINC000871011789 589711333 /nfs/dbraw/zinc/71/13/33/589711333.db2.gz YSTOTIDFBJPDLW-UHFFFAOYSA-N 0 3 240.282 0.791 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cc2n(n1)CCN(C)C2 ZINC000871011626 589711411 /nfs/dbraw/zinc/71/14/11/589711411.db2.gz WKYZRVDDUOJLIM-SECBINFHSA-N 0 3 237.307 0.004 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc2n(n1)CCN(C)C2 ZINC000871011627 589711426 /nfs/dbraw/zinc/71/14/26/589711426.db2.gz WKYZRVDDUOJLIM-VIFPVBQESA-N 0 3 237.307 0.004 20 0 BCADHN CC[C@H](CO)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871155806 589739502 /nfs/dbraw/zinc/73/95/02/589739502.db2.gz CMCNOFDAKAVBQQ-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CNC(=O)CC(=O)N1CCN(C)C(C)(C)CC1 ZINC000871155785 589739663 /nfs/dbraw/zinc/73/96/63/589739663.db2.gz BFIWCRLBUOERAK-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@@H](C(=O)N1CCN(C)C(C)(C)CC1)N(C)C ZINC000871154539 589740130 /nfs/dbraw/zinc/74/01/30/589740130.db2.gz GUXAOUSCLLUYCP-NSHDSACASA-N 0 3 241.379 0.879 20 0 BCADHN CC[S@](=O)CCNCc1nc(C)ccc1O ZINC000123701372 589771331 /nfs/dbraw/zinc/77/13/31/589771331.db2.gz MCGZCOVLTRVKOG-MRXNPFEDSA-N 0 3 242.344 0.954 20 0 BCADHN Cn1ccnc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000871763880 589808995 /nfs/dbraw/zinc/80/89/95/589808995.db2.gz APTQVWLMSKZCKQ-MNOVXSKESA-N 0 3 248.330 0.729 20 0 BCADHN CN1CCn2nc(N[C@H]3CCCNC3=O)cc2C1 ZINC000871926623 589833283 /nfs/dbraw/zinc/83/32/83/589833283.db2.gz JJBJDWHOJBTZTE-JTQLQIEISA-N 0 3 249.318 0.019 20 0 BCADHN CC[C@@H](Nc1cc2n(n1)CCN(C)C2)C(N)=O ZINC000871928916 589834246 /nfs/dbraw/zinc/83/42/46/589834246.db2.gz NWQJZFQQBJUGLV-SECBINFHSA-N 0 3 237.307 0.004 20 0 BCADHN CC(C)(O)C[C@@H](O)CNC[C@H](O)c1ccco1 ZINC000871972996 589849219 /nfs/dbraw/zinc/84/92/19/589849219.db2.gz GTSYOYFFFORJQY-ZJUUUORDSA-N 0 3 243.303 0.425 20 0 BCADHN CC(C)OC[C@@H](O)CNC[C@@H](O)c1ccco1 ZINC000871973085 589850193 /nfs/dbraw/zinc/85/01/93/589850193.db2.gz KQJKIRVKZDSLOQ-WDEREUQCSA-N 0 3 243.303 0.689 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)O)[C@@H]1C ZINC000871980466 589851534 /nfs/dbraw/zinc/85/15/34/589851534.db2.gz JAPBTHRDFCWFLP-BBBLOLIVSA-N 0 3 201.310 0.849 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1CC2(C1)CCCOC2 ZINC000871980661 589851948 /nfs/dbraw/zinc/85/19/48/589851948.db2.gz MPVGYYIJHNVEGO-LLVKDONJSA-N 0 3 243.347 0.621 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC(C)(C)O)[C@H]1C ZINC000871980467 589852107 /nfs/dbraw/zinc/85/21/07/589852107.db2.gz JAPBTHRDFCWFLP-KXUCPTDWSA-N 0 3 201.310 0.849 20 0 BCADHN COC(=O)N1CC(N[C@H]2CCOC(C)(C)C2)C1 ZINC000872053157 589861063 /nfs/dbraw/zinc/86/10/63/589861063.db2.gz SOLJZECRMCJRAD-VIFPVBQESA-N 0 3 242.319 0.984 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CCOC(C)(C)C1 ZINC000872090109 589868238 /nfs/dbraw/zinc/86/82/38/589868238.db2.gz LSWIHAXFDHLONQ-ZJUUUORDSA-N 0 3 244.335 0.942 20 0 BCADHN Cc1ncncc1[C@@H](C)N[C@@H]1CCOC[C@H]1O ZINC000872139297 589880306 /nfs/dbraw/zinc/88/03/06/589880306.db2.gz BJYZZFINJCKIKW-YUSALJHKSA-N 0 3 237.303 0.585 20 0 BCADHN CC(=O)C1CCN(C[C@@H]2CNCCO2)CC1 ZINC000872146895 589885202 /nfs/dbraw/zinc/88/52/02/589885202.db2.gz ZZNAUCCZKSPHOO-LBPRGKRZSA-N 0 3 226.320 0.276 20 0 BCADHN CCc1cc(CNC[C@@H](O)CC(C)(C)O)n[nH]1 ZINC000872201445 589890127 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ZINC000872785486 589970889 /nfs/dbraw/zinc/97/08/89/589970889.db2.gz SBLOKJXAHZTIQE-AOOOYVTPSA-N 0 3 210.277 0.145 20 0 BCADHN C[C@H](N)c1cn(Cc2cn3ccccc3n2)nn1 ZINC000124260791 589971371 /nfs/dbraw/zinc/97/13/71/589971371.db2.gz DBOVCCILRIZPAX-VIFPVBQESA-N 0 3 242.286 0.994 20 0 BCADHN O=C1CC[C@@H](NCc2cccc(F)n2)CCN1 ZINC000873092376 589984419 /nfs/dbraw/zinc/98/44/19/589984419.db2.gz GHKOGXZNVOQREG-SECBINFHSA-N 0 3 237.278 0.979 20 0 BCADHN CCn1nnc(C)c1CNC[C@H]1C[C@H](O)C1 ZINC000873177879 589990141 /nfs/dbraw/zinc/99/01/41/589990141.db2.gz BGVHMCGYPLKVPJ-MGCOHNPYSA-N 0 3 224.308 0.467 20 0 BCADHN CC1(NCc2cnc(N)cn2)CCOCC1 ZINC000873206676 589993882 /nfs/dbraw/zinc/99/38/82/589993882.db2.gz IVDRTUBLRPJVKT-UHFFFAOYSA-N 0 3 222.292 0.718 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cnc(N)cn1 ZINC000873208847 589995541 /nfs/dbraw/zinc/99/55/41/589995541.db2.gz VUDTYXUMAKWHQG-VHSXEESVSA-N 0 3 235.335 0.583 20 0 BCADHN COC[C@@H](C)NCC(=O)NCC1CC1 ZINC000020041947 590069971 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JPDNSPZIUZOIQP-SNVBAGLBSA-N 0 3 242.319 0.350 20 0 BCADHN COCC1CCN(C(=O)CN2CCCC2)CC1 ZINC000874462349 590113473 /nfs/dbraw/zinc/11/34/73/590113473.db2.gz LZPHUJLDAUIIHL-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CONC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000125070775 590116802 /nfs/dbraw/zinc/11/68/02/590116802.db2.gz VESSLMQYYKURKS-SECBINFHSA-N 0 3 213.281 0.331 20 0 BCADHN C#CCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000095118012 598900190 /nfs/dbraw/zinc/90/01/90/598900190.db2.gz RFIXJOSMKNSCLC-UHFFFAOYSA-N 0 3 227.271 0.980 20 0 BCADHN C#CCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000095118012 598900191 /nfs/dbraw/zinc/90/01/91/598900191.db2.gz RFIXJOSMKNSCLC-UHFFFAOYSA-N 0 3 227.271 0.980 20 0 BCADHN CC(C(=O)N[C@H]1CC12CCC2)S(C)(=O)=O ZINC000874788360 590136194 /nfs/dbraw/zinc/13/61/94/590136194.db2.gz LWQYBHGALPRNEJ-YUMQZZPRSA-N 0 3 231.317 0.478 20 0 BCADHN COC/C=C/C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874820737 590141251 /nfs/dbraw/zinc/14/12/51/590141251.db2.gz FMHNJKKWZYFGOB-XCOQAZTISA-N 0 3 238.331 0.884 20 0 BCADHN Cn1nncc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874829300 590142076 /nfs/dbraw/zinc/14/20/76/590142076.db2.gz LPYWTHMLPUSVRL-VHSXEESVSA-N 0 3 249.318 0.124 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1ccnc1 ZINC000874830020 590142121 /nfs/dbraw/zinc/14/21/21/590142121.db2.gz PSTQZAZHHQRZDI-RYUDHWBXSA-N 0 3 248.330 0.578 20 0 BCADHN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)nn1 ZINC000874829819 590142247 /nfs/dbraw/zinc/14/22/47/590142247.db2.gz ODUSWEIIIZLTIQ-MNOVXSKESA-N 0 3 249.318 0.124 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)CC(C)(C)O ZINC000874829528 590142250 /nfs/dbraw/zinc/14/22/50/590142250.db2.gz LTAXMOANBWTDNP-QWRGUYRKSA-N 0 3 240.347 0.843 20 0 BCADHN Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)nn1 ZINC000874829818 590142429 /nfs/dbraw/zinc/14/24/29/590142429.db2.gz ODUSWEIIIZLTIQ-GHMZBOCLSA-N 0 3 249.318 0.124 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccnn1 ZINC000874824532 590142568 /nfs/dbraw/zinc/14/25/68/590142568.db2.gz UYZOKPKYRUJACH-RYUDHWBXSA-N 0 3 246.314 0.785 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccnn1 ZINC000874824531 590142878 /nfs/dbraw/zinc/14/28/78/590142878.db2.gz UYZOKPKYRUJACH-NWDGAFQWSA-N 0 3 246.314 0.785 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccncn1 ZINC000874833224 590143445 /nfs/dbraw/zinc/14/34/45/590143445.db2.gz KFBIBKKUXCHGSJ-NEPJUHHUSA-N 0 3 246.314 0.785 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)C1(O)CCC1 ZINC000874834826 590143609 /nfs/dbraw/zinc/14/36/09/590143609.db2.gz VVWZUUMGXPFXBW-QWRGUYRKSA-N 0 3 238.331 0.597 20 0 BCADHN COCCC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874837073 590143778 /nfs/dbraw/zinc/14/37/78/590143778.db2.gz GKSGLWAWXPQYMI-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)C1(C)COC1 ZINC000874834242 590143917 /nfs/dbraw/zinc/14/39/17/590143917.db2.gz QLHYGGQZRYRJKB-MNOVXSKESA-N 0 3 238.331 0.718 20 0 BCADHN Cn1ncc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)n1 ZINC000874831078 590144055 /nfs/dbraw/zinc/14/40/55/590144055.db2.gz XWILTBBAFMQECT-MNOVXSKESA-N 0 3 249.318 0.124 20 0 BCADHN Cn1ncc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)n1 ZINC000874831077 590144206 /nfs/dbraw/zinc/14/42/06/590144206.db2.gz XWILTBBAFMQECT-GHMZBOCLSA-N 0 3 249.318 0.124 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccnnc1 ZINC000874833846 590144277 /nfs/dbraw/zinc/14/42/77/590144277.db2.gz AWLLPYUIQDSSLI-VXGBXAGGSA-N 0 3 246.314 0.785 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1c[nH]cn1 ZINC000874840637 590144717 /nfs/dbraw/zinc/14/47/17/590144717.db2.gz PYZUIDQWKHTQNF-QWRGUYRKSA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cnc[nH]1 ZINC000874840637 590144719 /nfs/dbraw/zinc/14/47/19/590144719.db2.gz PYZUIDQWKHTQNF-QWRGUYRKSA-N 0 3 234.303 0.718 20 0 BCADHN Cn1nccc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874841573 590145294 /nfs/dbraw/zinc/14/52/94/590145294.db2.gz CLHWSILCVACRGG-WDEREUQCSA-N 0 3 248.330 0.729 20 0 BCADHN COC[C@H](NC(=O)[C@@H](N)C(C)C)C1CC1 ZINC000125378429 590162985 /nfs/dbraw/zinc/16/29/85/590162985.db2.gz IQEPOVRIRUAFNB-UWVGGRQHSA-N 0 3 214.309 0.511 20 0 BCADHN CC[C@H](C[C@H](C)O)NC(=O)N[C@@H](C)CN(C)C ZINC000875582477 590165748 /nfs/dbraw/zinc/16/57/48/590165748.db2.gz PXXUTXZYSFLNBW-GARJFASQSA-N 0 3 245.367 0.785 20 0 BCADHN CC[C@@H](C[C@H](C)O)NC(=O)N[C@@H](C)CN(C)C ZINC000875582476 590165878 /nfs/dbraw/zinc/16/58/78/590165878.db2.gz PXXUTXZYSFLNBW-DCAQKATOSA-N 0 3 245.367 0.785 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)Nc1ncccn1 ZINC000888680402 590172473 /nfs/dbraw/zinc/17/24/73/590172473.db2.gz JABPPCFFDGWJIB-SECBINFHSA-N 0 3 235.291 0.692 20 0 BCADHN CN(C)C1(CNC(=O)Nc2ncccn2)CC1 ZINC000888705706 590190463 /nfs/dbraw/zinc/19/04/63/590190463.db2.gz MCUHBBRNFNHVFP-UHFFFAOYSA-N 0 3 235.291 0.692 20 0 BCADHN CNCc1ccccc1NC(=O)[C@@H]1COC(=O)N1 ZINC000876509162 590204980 /nfs/dbraw/zinc/20/49/80/590204980.db2.gz IPZUYDBZYLGWBM-JTQLQIEISA-N 0 3 249.270 0.453 20 0 BCADHN C[C@H]1CCC[C@H](N(C)C(=O)[C@@H](N)CN(C)C)C1 ZINC000876589219 590219285 /nfs/dbraw/zinc/21/92/85/590219285.db2.gz LCOTZLGFXHWCLP-SRVKXCTJSA-N 0 3 241.379 0.912 20 0 BCADHN CC[C@@H](C)[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000876613514 590221705 /nfs/dbraw/zinc/22/17/05/590221705.db2.gz DHDMNRUBDSGVGL-UTLUCORTSA-N 0 3 215.341 0.426 20 0 BCADHN Cn1ncc2cc(CN3CCC[C@H]3CO)cnc21 ZINC000876635690 590224529 /nfs/dbraw/zinc/22/45/29/590224529.db2.gz GKQMLYOATVEYNR-LBPRGKRZSA-N 0 3 246.314 0.925 20 0 BCADHN CCN[C@@H](C)C(=O)NC1(C(=O)NC)CCCC1 ZINC000876638516 590224957 /nfs/dbraw/zinc/22/49/57/590224957.db2.gz CHFAXKMZMCAJIG-VIFPVBQESA-N 0 3 241.335 0.159 20 0 BCADHN C[C@H]1CCC[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876649297 590225475 /nfs/dbraw/zinc/22/54/75/590225475.db2.gz RICKCTPVSNQHGY-LPEHRKFASA-N 0 3 213.325 0.180 20 0 BCADHN Cc1nonc1CNC(=O)[C@@H](N)CCC(C)C ZINC000876667654 590227636 /nfs/dbraw/zinc/22/76/36/590227636.db2.gz KFSJIOROTPZYNH-VIFPVBQESA-N 0 3 240.307 0.758 20 0 BCADHN C[C@H]1c2ccccc2CN1C(=O)[C@@H](N)CN(C)C ZINC000876669325 590228847 /nfs/dbraw/zinc/22/88/47/590228847.db2.gz IZZLQRLKEJMIFA-GWCFXTLKSA-N 0 3 247.342 0.979 20 0 BCADHN COC(C)(C)C[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000876680774 590229823 /nfs/dbraw/zinc/22/98/23/590229823.db2.gz IIRJQDUAOZZZFG-ZJUUUORDSA-N 0 3 245.367 0.195 20 0 BCADHN CC[C@H]1CCC[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876695614 590230881 /nfs/dbraw/zinc/23/08/81/590230881.db2.gz CSZFLCXVZQLIAB-DCAQKATOSA-N 0 3 227.352 0.570 20 0 BCADHN [NH3+][C@@H]1CC=C(C(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000876705850 590232185 /nfs/dbraw/zinc/23/21/85/590232185.db2.gz CDHHKXLJOAJCDN-ZJUUUORDSA-N 0 3 226.276 0.608 20 0 BCADHN CC[C@H](C(=O)N1CCNC[C@@H]1C(F)F)N(C)C ZINC000876851214 590249510 /nfs/dbraw/zinc/24/95/10/590249510.db2.gz FDTNJWCSNIVKTD-RKDXNWHRSA-N 0 3 249.305 0.392 20 0 BCADHN CC1=C(C(=O)NC[C@@H]2C[C@H](F)CN2)CCCO1 ZINC000876857056 590249821 /nfs/dbraw/zinc/24/98/21/590249821.db2.gz ZDOOXWUIINKSGA-UWVGGRQHSA-N 0 3 242.294 0.887 20 0 BCADHN C[C@H]1CCC[C@@H](NC(=O)[C@@H](N)CN(C)C)CC1 ZINC000876886127 590253599 /nfs/dbraw/zinc/25/35/99/590253599.db2.gz SLTRVZWMPNONMK-TUAOUCFPSA-N 0 3 241.379 0.960 20 0 BCADHN Cc1cccc2c1N(C(=O)[C@@H](N)CN(C)C)CC2 ZINC000876886396 590253719 /nfs/dbraw/zinc/25/37/19/590253719.db2.gz VBMXRQFDCVOGMP-LBPRGKRZSA-N 0 3 247.342 0.773 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)c1cc(Cl)no1 ZINC000876919184 590257573 /nfs/dbraw/zinc/25/75/73/590257573.db2.gz SIMWXMRXEAXMIV-LURJTMIESA-N 0 3 245.666 0.046 20 0 BCADHN CCN[C@H](C)C(=O)Nc1cc(CC)n(C)n1 ZINC000876929544 590258318 /nfs/dbraw/zinc/25/83/18/590258318.db2.gz KAOTYNKQFGGUBB-MRVPVSSYSA-N 0 3 224.308 0.919 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000876932351 590258513 /nfs/dbraw/zinc/25/85/13/590258513.db2.gz KJMUKRDYACGYHW-GARJFASQSA-N 0 3 225.336 0.180 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC1CCC(F)CC1 ZINC000876939427 590259184 /nfs/dbraw/zinc/25/91/84/590259184.db2.gz ISBHOJBMRVMXGA-ILDUYXDCSA-N 0 3 245.342 0.520 20 0 BCADHN Cc1nn(C)cc1CN[C@@H](CCO)C1CC1 ZINC000126263083 590262110 /nfs/dbraw/zinc/26/21/10/590262110.db2.gz QFEFGXRSMGKCHM-LBPRGKRZSA-N 0 3 223.320 0.979 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC[C@]1(C)CC1(F)F ZINC000876968262 590262473 /nfs/dbraw/zinc/26/24/73/590262473.db2.gz NWMKEYIDLMZSGX-WCBMZHEXSA-N 0 3 249.305 0.427 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCCc1ccco1 ZINC000876975737 590263424 /nfs/dbraw/zinc/26/34/24/590263424.db2.gz JFQUHXJCHVBLRP-NSHDSACASA-N 0 3 239.319 0.217 20 0 BCADHN C[C@@H](NCCS(C)(=O)=O)[C@@H]1CC1(F)F ZINC000876976258 590263525 /nfs/dbraw/zinc/26/35/25/590263525.db2.gz MBSAVLXXUKTYQD-RQJHMYQMSA-N 0 3 227.276 0.664 20 0 BCADHN N[C@@H]1CN(C(=O)C2(F)CCOCC2)CC[C@H]1F ZINC000876979096 590264232 /nfs/dbraw/zinc/26/42/32/590264232.db2.gz SZASPQQBUYGVAZ-RKDXNWHRSA-N 0 3 248.273 0.403 20 0 BCADHN CCNCC(=O)Nc1cc(OC)ccn1 ZINC000876985482 590265347 /nfs/dbraw/zinc/26/53/47/590265347.db2.gz GNVGQYFPIFFGSU-UHFFFAOYSA-N 0 3 209.249 0.638 20 0 BCADHN CCNCC(=O)N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000876988869 590265534 /nfs/dbraw/zinc/26/55/34/590265534.db2.gz PBSNVGVCORKEGJ-JTQLQIEISA-N 0 3 241.335 0.112 20 0 BCADHN CCn1ncc(CNC(=O)[C@@H](C)NC2CC2)n1 ZINC000876989703 590265600 /nfs/dbraw/zinc/26/56/00/590265600.db2.gz CUJORWPYXOMHTE-MRVPVSSYSA-N 0 3 237.307 0.055 20 0 BCADHN CCn1ncc(CNC(=O)[C@H](N)CC(C)C)n1 ZINC000876990125 590265619 /nfs/dbraw/zinc/26/56/19/590265619.db2.gz QWTRJOTVSWMXRC-SNVBAGLBSA-N 0 3 239.323 0.288 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1cnn(CC)n1 ZINC000876989825 590265973 /nfs/dbraw/zinc/26/59/73/590265973.db2.gz HLSWKCYIFOQQCN-LLVKDONJSA-N 0 3 239.323 0.432 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000877004216 590267813 /nfs/dbraw/zinc/26/78/13/590267813.db2.gz IPXWQTYBSHZSHM-RWEMILLDSA-N 0 3 238.331 0.811 20 0 BCADHN CCNCC(=O)NC[C@@H]1CCCN1CC(F)F ZINC000877006133 590268375 /nfs/dbraw/zinc/26/83/75/590268375.db2.gz RPTNMWJSCPTUQP-VIFPVBQESA-N 0 3 249.305 0.442 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1cccc2c1OCC2 ZINC000877005598 590268454 /nfs/dbraw/zinc/26/84/54/590268454.db2.gz IVWAGCLQNPKIQM-JTQLQIEISA-N 0 3 249.314 0.449 20 0 BCADHN CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000877022129 590269926 /nfs/dbraw/zinc/26/99/26/590269926.db2.gz PMEKKWVWXVRGEW-WDEREUQCSA-N 0 3 249.314 0.845 20 0 BCADHN CN1CC[C@H](NCc2cc3c(cn2)OCCO3)C1 ZINC000877019827 590270144 /nfs/dbraw/zinc/27/01/44/590270144.db2.gz SMHWOPNORIJGJK-JTQLQIEISA-N 0 3 249.314 0.647 20 0 BCADHN CCOC(=O)C1=CC[C@H](NC(=O)[C@@H](N)CC)C1 ZINC000877028760 590271762 /nfs/dbraw/zinc/27/17/62/590271762.db2.gz ZTCQLBARYSDISB-UWVGGRQHSA-N 0 3 240.303 0.492 20 0 BCADHN CCNCC(=O)N[C@@H]1Cc2ccccc2NC1=O ZINC000877041686 590273145 /nfs/dbraw/zinc/27/31/45/590273145.db2.gz IXGQAFQYEJGITC-LLVKDONJSA-N 0 3 247.298 0.276 20 0 BCADHN CC(C)(O)CNCc1ccc(Cl)nn1 ZINC000877041487 590273433 /nfs/dbraw/zinc/27/34/33/590273433.db2.gz LQMNSYCWNIVSAW-UHFFFAOYSA-N 0 3 215.684 0.991 20 0 BCADHN CCn1nc(C)cc1NC(=O)[C@@]1(F)CCNC1 ZINC000877068088 590277220 /nfs/dbraw/zinc/27/72/20/590277220.db2.gz QHRNFWZFBKRRFW-LLVKDONJSA-N 0 3 240.282 0.852 20 0 BCADHN C[C@@H](O)CCNCc1ccc(Cl)nn1 ZINC000877090947 590280825 /nfs/dbraw/zinc/28/08/25/590280825.db2.gz YODFDOFPLDLTOP-SSDOTTSWSA-N 0 3 215.684 0.991 20 0 BCADHN CC[C@](C)(CNC1CN(C(=O)OC)C1)OC ZINC000877098640 590282488 /nfs/dbraw/zinc/28/24/88/590282488.db2.gz UKMYHDWLLOADBV-LLVKDONJSA-N 0 3 230.308 0.842 20 0 BCADHN CCNCC(=O)N1CCCC[C@H]1CNC(C)=O ZINC000877119043 590288235 /nfs/dbraw/zinc/28/82/35/590288235.db2.gz SLJFIPGBIKWQAA-NSHDSACASA-N 0 3 241.335 0.113 20 0 BCADHN CC1(CN[C@@H]2CCCNC(=O)C2)OCCO1 ZINC000877118024 590288339 /nfs/dbraw/zinc/28/83/39/590288339.db2.gz JHHAUZKLDVGKHW-SECBINFHSA-N 0 3 228.292 0.008 20 0 BCADHN NC[C@@H]1CC(C(=O)N[C@H]2CCCC23CC3)=NO1 ZINC000877131675 590290392 /nfs/dbraw/zinc/29/03/92/590290392.db2.gz HOSQZJVZENGOJK-WPRPVWTQSA-N 0 3 237.303 0.539 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877178348 590297372 /nfs/dbraw/zinc/29/73/72/590297372.db2.gz SYWADYJLBHWSFI-IZOAKFFESA-N 0 3 224.304 0.134 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ccnc(F)c1 ZINC000877201814 590300338 /nfs/dbraw/zinc/30/03/38/590300338.db2.gz RFYVIASOGSGLER-MRVPVSSYSA-N 0 3 211.240 0.574 20 0 BCADHN NC1(C(=O)NCc2ccnc(F)c2)CC1 ZINC000877202603 590300561 /nfs/dbraw/zinc/30/05/61/590300561.db2.gz XJTXTHNBMBBHOE-UHFFFAOYSA-N 0 3 209.224 0.328 20 0 BCADHN C[C@@H](CC1CCC1)NC(=O)C1=NO[C@@H](CN)C1 ZINC000877204634 590300857 /nfs/dbraw/zinc/30/08/57/590300857.db2.gz KGQLOSAWZGVUJS-WCBMZHEXSA-N 0 3 239.319 0.785 20 0 BCADHN CCNCC(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000877220559 590301476 /nfs/dbraw/zinc/30/14/76/590301476.db2.gz HLDYOOZPQOLIAD-PHDIDXHHSA-N 0 3 210.199 0.663 20 0 BCADHN CN(Cc1ncc[nH]1)C(=O)[C@@]1(F)CCNC1 ZINC000877232876 590301763 /nfs/dbraw/zinc/30/17/63/590301763.db2.gz FLGVDSDPXDNWLI-SNVBAGLBSA-N 0 3 226.255 0.070 20 0 BCADHN [NH3+][C@H]1C[C@@H](CNC(=O)c2cc(F)c[n-]c2=O)C1 ZINC000877240727 590302399 /nfs/dbraw/zinc/30/23/99/590302399.db2.gz APYIUETVRMJLRT-WRXNHJIOSA-N 0 3 239.250 0.393 20 0 BCADHN CN1Cc2ccccc2[C@@H]1CNC(=O)CN ZINC000877247712 590303792 /nfs/dbraw/zinc/30/37/92/590303792.db2.gz VQDJSBDTOUNJOT-NSHDSACASA-N 0 3 219.288 0.248 20 0 BCADHN CCN[C@H](C)C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000877251639 590303862 /nfs/dbraw/zinc/30/38/62/590303862.db2.gz SKDQEFLIQDQHSO-NXEZZACHSA-N 0 3 228.336 0.604 20 0 BCADHN CCN[C@H](C)C(=O)Nc1ccn(CCF)n1 ZINC000877263960 590304603 /nfs/dbraw/zinc/30/46/03/590304603.db2.gz GNXZTMLTDHFJCK-MRVPVSSYSA-N 0 3 228.271 0.789 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000877269130 590304746 /nfs/dbraw/zinc/30/47/46/590304746.db2.gz DQGSZPBVIZBKQN-ADEWGFFLSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)C(C)(C)C)c1ccnn1C ZINC000877264443 590305001 /nfs/dbraw/zinc/30/50/01/590305001.db2.gz PYGIRHYTNXCFCJ-WCBMZHEXSA-N 0 3 238.335 0.971 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000877269131 590305202 /nfs/dbraw/zinc/30/52/02/590305202.db2.gz DQGSZPBVIZBKQN-ZMLRMANQSA-N 0 3 240.347 0.916 20 0 BCADHN NCC(=O)NC1([C@@H]2CCCCO2)CCC1 ZINC000877272005 590305629 /nfs/dbraw/zinc/30/56/29/590305629.db2.gz ZHFOPRXUCFTDLX-VIFPVBQESA-N 0 3 212.293 0.553 20 0 BCADHN NC1(C(=O)N2CCO[C@H](C(F)F)C2)CCCC1 ZINC000877299212 590308285 /nfs/dbraw/zinc/30/82/85/590308285.db2.gz IWGAIVPLTJYGLD-QMMMGPOBSA-N 0 3 248.273 0.750 20 0 BCADHN CCNCC(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877301451 590308775 /nfs/dbraw/zinc/30/87/75/590308775.db2.gz VIESKFUBASCUKS-SSDOTTSWSA-N 0 3 222.235 0.088 20 0 BCADHN O=C([C@H]1CCCCN1)N1CCO[C@H](C(F)F)C1 ZINC000877301190 590308795 /nfs/dbraw/zinc/30/87/95/590308795.db2.gz PLPSBJFNFCYLTH-BDAKNGLRSA-N 0 3 248.273 0.621 20 0 BCADHN CC(=O)C1CCN(C(=O)CNC(C)C)CC1 ZINC000877301501 590309164 /nfs/dbraw/zinc/30/91/64/590309164.db2.gz VRTKUBGWXKIGNZ-UHFFFAOYSA-N 0 3 226.320 0.812 20 0 BCADHN CC(=O)C1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000877300945 590309203 /nfs/dbraw/zinc/30/92/03/590309203.db2.gz ILRSFVHSNZGIFV-GFCCVEGCSA-N 0 3 238.331 0.956 20 0 BCADHN CCN[C@H](C)C(=O)N1CCO[C@H](C(F)F)C1 ZINC000877300732 590309211 /nfs/dbraw/zinc/30/92/11/590309211.db2.gz ZLCULAYDBVAMMO-SFYZADRCSA-N 0 3 236.262 0.477 20 0 BCADHN CC(=O)C1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000877301738 590310171 /nfs/dbraw/zinc/31/01/71/590310171.db2.gz LVPLAYQLBKAOJE-LBPRGKRZSA-N 0 3 238.331 0.941 20 0 BCADHN CCOC(=O)[C@@H](CC1CC1)NC(=O)C1(N)CC1 ZINC000877305233 590311130 /nfs/dbraw/zinc/31/11/30/590311130.db2.gz SCIWDNJITWXQBP-SECBINFHSA-N 0 3 240.303 0.326 20 0 BCADHN CC(C)NCC(=O)NCCC[C@H]1CCOC1=O ZINC000877312092 590313134 /nfs/dbraw/zinc/31/31/34/590313134.db2.gz QNTJMIRFAHFEQM-JTQLQIEISA-N 0 3 242.319 0.444 20 0 BCADHN CN(Cc1cnc2c(cnn2C)c1)C1CC(O)C1 ZINC000877345132 590319006 /nfs/dbraw/zinc/31/90/06/590319006.db2.gz WLNAUSPQIJLGRE-UHFFFAOYSA-N 0 3 246.314 0.923 20 0 BCADHN COC(=O)CC[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000877382034 590320698 /nfs/dbraw/zinc/32/06/98/590320698.db2.gz MFVXUVJDTRFYLZ-VHSXEESVSA-N 0 3 242.319 0.525 20 0 BCADHN Cc1nccnc1[C@@H](C)NC(=O)[C@H]1NCC1(C)C ZINC000877431982 590326184 /nfs/dbraw/zinc/32/61/84/590326184.db2.gz QOQUXBOXODPKSL-MWLCHTKSSA-N 0 3 248.330 0.960 20 0 BCADHN CCn1ncc(NC(=O)[C@H](C)NC)c1C ZINC000877452211 590329738 /nfs/dbraw/zinc/32/97/38/590329738.db2.gz TYGDNSIQGMDGGD-ZETCQYMHSA-N 0 3 210.281 0.758 20 0 BCADHN CCn1ncc(NC(=O)[C@]2(F)CCNC2)c1C ZINC000877452227 590330122 /nfs/dbraw/zinc/33/01/22/590330122.db2.gz UULTWZMYHOWBJW-NSHDSACASA-N 0 3 240.282 0.852 20 0 BCADHN CC[C@@H](NC(=O)C1=NO[C@H](CN)C1)C(F)F ZINC000877454904 590330612 /nfs/dbraw/zinc/33/06/12/590330612.db2.gz CULAYZRUBUZEND-NTSWFWBYSA-N 0 3 235.234 0.250 20 0 BCADHN COC[C@H](CO)NC[C@@H]1CC1(Cl)Cl ZINC000877491556 590340130 /nfs/dbraw/zinc/34/01/30/590340130.db2.gz MMLYSZVMJQUYAZ-BQBZGAKWSA-N 0 3 228.119 0.777 20 0 BCADHN CCCn1cc(CN2CC[C@@H]3CN(C)C[C@@H]32)nn1 ZINC000877547096 590352585 /nfs/dbraw/zinc/35/25/85/590352585.db2.gz QMNVLTWDSXGQJG-YPMHNXCESA-N 0 3 249.362 0.824 20 0 BCADHN CO[C@]1(CN2CC3(C2)CCOC3)CCOC1 ZINC000877554869 590356738 /nfs/dbraw/zinc/35/67/38/590356738.db2.gz PVGDFKMVNFPZBY-LBPRGKRZSA-N 0 3 227.304 0.514 20 0 BCADHN CC[C@@](C)(CNCCS(=O)(=O)C1CC1)OC ZINC000877590779 590368956 /nfs/dbraw/zinc/36/89/56/590368956.db2.gz HFMFQHFJSGXETM-NSHDSACASA-N 0 3 249.376 0.968 20 0 BCADHN CCON(C)C(=O)CNCCC[C@H]1CCO1 ZINC000877612843 590372796 /nfs/dbraw/zinc/37/27/96/590372796.db2.gz XREQSRWNKZYXPN-JTQLQIEISA-N 0 3 230.308 0.555 20 0 BCADHN NC(=O)[C@H]1C[C@H](NCc2ccc(Cl)nn2)C1 ZINC000877653491 590384771 /nfs/dbraw/zinc/38/47/71/590384771.db2.gz LEMWUXPERLIDIR-FKQCQYRASA-N 0 3 240.694 0.484 20 0 BCADHN CCC[C@@H](CN[C@@H](C)C(=O)N(C)OC)OC ZINC000877659004 590386264 /nfs/dbraw/zinc/38/62/64/590386264.db2.gz GTMUJNPVXXHQSX-UWVGGRQHSA-N 0 3 232.324 0.799 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CS[C@@H](C)C1 ZINC000877660331 590387096 /nfs/dbraw/zinc/38/70/96/590387096.db2.gz LUGWEOPQOGNUMH-DJLDLDEBSA-N 0 3 232.349 0.878 20 0 BCADHN O[C@@H]1COC[C@@H]1NC[C@@H]1CC1(Cl)Cl ZINC000877666802 590389210 /nfs/dbraw/zinc/38/92/10/590389210.db2.gz BUKPFHHMYHSCSZ-LYFYHCNISA-N 0 3 226.103 0.530 20 0 BCADHN C[C@@]12CN(Cc3ccoc3)C[C@@]1(C)C(=O)NC2=O ZINC000877668494 590389722 /nfs/dbraw/zinc/38/97/22/590389722.db2.gz QHDGPEWYIXCSCH-STQMWFEESA-N 0 3 248.282 0.764 20 0 BCADHN COC(=O)C1CC(NCc2c(C)cnn2C)C1 ZINC000877722292 590401659 /nfs/dbraw/zinc/40/16/59/590401659.db2.gz OSBNUQHTVIAOCB-UHFFFAOYSA-N 0 3 237.303 0.770 20 0 BCADHN CCC(CC)CN(C)CCS(N)(=O)=O ZINC000877827181 590428966 /nfs/dbraw/zinc/42/89/66/590428966.db2.gz NQKWKORJUJOACU-UHFFFAOYSA-N 0 3 222.354 0.643 20 0 BCADHN O[C@@H]1CCN(CCCC2CCOCC2)C[C@@H]1O ZINC000877749729 590414245 /nfs/dbraw/zinc/41/42/45/590414245.db2.gz SESDABYCAIYUEC-OLZOCXBDSA-N 0 3 243.347 0.621 20 0 BCADHN COCC1(CN2CC[C@@H](O)[C@@H](O)C2)CCC1 ZINC000877749964 590414418 /nfs/dbraw/zinc/41/44/18/590414418.db2.gz DVJMVPASPAODJO-MNOVXSKESA-N 0 3 229.320 0.231 20 0 BCADHN Cc1cc(CN2C[C@H](CO)[C@H](CO)C2)c(C)o1 ZINC000877764729 590420109 /nfs/dbraw/zinc/42/01/09/590420109.db2.gz KIYGIAZZLKTZQM-BETUJISGSA-N 0 3 239.315 0.929 20 0 BCADHN Cn1ccc(CN2C[C@H](CO)[C@H](CO)C2)c1 ZINC000877765216 590420289 /nfs/dbraw/zinc/42/02/89/590420289.db2.gz VZBOQKBZDCPSNL-TXEJJXNPSA-N 0 3 224.304 0.058 20 0 BCADHN O[C@H]1C[C@H](CNCc2ccc(Cl)nn2)C1 ZINC000877811421 590427245 /nfs/dbraw/zinc/42/72/45/590427245.db2.gz JYLFJDNVFJQLEJ-XWEPSHTISA-N 0 3 227.695 0.991 20 0 BCADHN CCOC(=O)[C@H](F)[C@H](C)N[C@@H](C)[C@@H](C)CO ZINC000126764701 590440848 /nfs/dbraw/zinc/44/08/48/590440848.db2.gz TWLWWYATESATBF-AATLWQCWSA-N 0 3 235.299 0.883 20 0 BCADHN CC(=O)N1CCCN(CC[C@H](O)C(C)C)CC1 ZINC000877895944 590441926 /nfs/dbraw/zinc/44/19/26/590441926.db2.gz ZXKXYZGENWZHTN-ZDUSSCGKSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H]1CCCN(CCc2nnnn2C)C1 ZINC000877934385 590451294 /nfs/dbraw/zinc/45/12/94/590451294.db2.gz HKEIDNBXSNZZKO-SECBINFHSA-N 0 3 209.297 0.485 20 0 BCADHN CC(C)[C@@H](O)CCN1CCN(C)CC1 ZINC000877942399 590453696 /nfs/dbraw/zinc/45/36/96/590453696.db2.gz DTCVKJHWYCYRAC-NSHDSACASA-N 0 3 200.326 0.641 20 0 BCADHN COCCN1CCN(C[C@H]2C[C@@H](OC)C2)CC1 ZINC000877950842 590455200 /nfs/dbraw/zinc/45/52/00/590455200.db2.gz POHJTSTZYVDYQV-BETUJISGSA-N 0 3 242.363 0.675 20 0 BCADHN CC(C)(O)C[C@H](O)CN1CCCC[C@@H]1CO ZINC000877963890 590460069 /nfs/dbraw/zinc/46/00/69/590460069.db2.gz SAZVGTMJQQNAGT-MNOVXSKESA-N 0 3 231.336 0.355 20 0 BCADHN CCCCN(CC[C@@H](O)C(C)C)CC(N)=O ZINC000877969787 590462265 /nfs/dbraw/zinc/46/22/65/590462265.db2.gz HUGAQKZRFBPFLS-LLVKDONJSA-N 0 3 230.352 0.981 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CC[C@H](O)C(C)C ZINC000877992101 590467644 /nfs/dbraw/zinc/46/76/44/590467644.db2.gz WWBNTSTYUZMALB-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CCN(CCc1nnnn1C)C[C@@H]1CCCO1 ZINC000878015484 590471808 /nfs/dbraw/zinc/47/18/08/590471808.db2.gz GBFFNXSAYLXTDS-JTQLQIEISA-N 0 3 239.323 0.254 20 0 BCADHN CC(=O)NC1CCN(CC[C@@H](O)C(C)C)CC1 ZINC000878018930 590472698 /nfs/dbraw/zinc/47/26/98/590472698.db2.gz NYAHIXMTMTVZEY-CYBMUJFWSA-N 0 3 242.363 0.994 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1CC[C@@H](O)C(C)C ZINC000878034364 590476404 /nfs/dbraw/zinc/47/64/04/590476404.db2.gz DJSHRIGTQHELON-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H]1OCC[C@H]1CN1CCCNC(=O)C1 ZINC000878039462 590477510 /nfs/dbraw/zinc/47/75/10/590477510.db2.gz UQPLRFCJDGJREN-ZJUUUORDSA-N 0 3 212.293 0.233 20 0 BCADHN CN(CCn1cnnn1)[C@H](CO)c1ccccc1 ZINC000878048940 590481454 /nfs/dbraw/zinc/48/14/54/590481454.db2.gz TUZCBMNGZGGQML-GFCCVEGCSA-N 0 3 247.302 0.339 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCN(C[C@H](C)O)CC2)C1 ZINC000878046971 590481481 /nfs/dbraw/zinc/48/14/81/590481481.db2.gz AFZNDZITXYRRIV-RWMBFGLXSA-N 0 3 242.363 0.410 20 0 BCADHN OCC1(C[C@@H](O)CN2CCC2)CCCC1 ZINC000878103113 590485990 /nfs/dbraw/zinc/48/59/90/590485990.db2.gz YOBYSADLYUMCHF-LLVKDONJSA-N 0 3 213.321 0.996 20 0 BCADHN CCOCCN(CC)C[C@H](O)CC(C)(C)O ZINC000878085051 590490212 /nfs/dbraw/zinc/49/02/12/590490212.db2.gz DJAUPCXGJBNCKP-LLVKDONJSA-N 0 3 233.352 0.867 20 0 BCADHN CCCCN(CCOC)CCn1cnnn1 ZINC000878091303 590490844 /nfs/dbraw/zinc/49/08/44/590490844.db2.gz BDKOGNOITHSXPV-UHFFFAOYSA-N 0 3 227.312 0.422 20 0 BCADHN COCC1CCN(CCc2nnnn2C)CC1 ZINC000878100127 590493944 /nfs/dbraw/zinc/49/39/44/590493944.db2.gz LFMAAQFCCQTELO-UHFFFAOYSA-N 0 3 239.323 0.111 20 0 BCADHN C=C/C=C/CCN1CC[C@H](NS(C)(=O)=O)C1 ZINC000878112880 590496925 /nfs/dbraw/zinc/49/69/25/590496925.db2.gz XFCAHNOXJBUPQT-ZWNMCFTASA-N 0 3 244.360 0.742 20 0 BCADHN Cn1nnnc1CCN1CCCOC(C)(C)C1 ZINC000878113399 590497028 /nfs/dbraw/zinc/49/70/28/590497028.db2.gz AVDBGVCLDSLTLV-UHFFFAOYSA-N 0 3 239.323 0.254 20 0 BCADHN C[C@H]1SCCN(CCn2cnnn2)[C@H]1C ZINC000878114536 590497878 /nfs/dbraw/zinc/49/78/78/590497878.db2.gz LHTNHCKDFCIMTI-DTWKUNHWSA-N 0 3 227.337 0.499 20 0 BCADHN CC(C)(O)C[C@H](O)CN(CCCO)C1CC1 ZINC000878113843 590498062 /nfs/dbraw/zinc/49/80/62/590498062.db2.gz OWVVYOXFFPVOTO-NSHDSACASA-N 0 3 231.336 0.355 20 0 BCADHN C[C@H]1CSCCN1C[C@H](O)CC(C)(C)O ZINC000878122329 590499921 /nfs/dbraw/zinc/49/99/21/590499921.db2.gz ZELYUJWUOQLBPZ-VHSXEESVSA-N 0 3 233.377 0.946 20 0 BCADHN CC[C@@H]1CN(CCn2cnnn2)CCS1 ZINC000878151877 590506836 /nfs/dbraw/zinc/50/68/36/590506836.db2.gz REROVXQYEHBWIK-SECBINFHSA-N 0 3 227.337 0.501 20 0 BCADHN CC1(C)CCC[C@@H](CN2C[C@H](O)C[C@H](O)C2)O1 ZINC000878156359 590509454 /nfs/dbraw/zinc/50/94/54/590509454.db2.gz PUFWJNRHFXJUCB-TUAOUCFPSA-N 0 3 243.347 0.762 20 0 BCADHN C=C/C=C\CCN1CCN2C(=O)NC[C@@H]2C1 ZINC000878173871 590515415 /nfs/dbraw/zinc/51/54/15/590515415.db2.gz DAUZEIOMIUVZKU-DLRQAJBASA-N 0 3 221.304 0.828 20 0 BCADHN CN(C[C@H](O)CC(C)(C)O)C[C@@H](O)C1CC1 ZINC000878175452 590515867 /nfs/dbraw/zinc/51/58/67/590515867.db2.gz SAHZGPMWFKHPOI-GHMZBOCLSA-N 0 3 231.336 0.211 20 0 BCADHN Cn1cncc1CCNC1(C(N)=O)CCCC1 ZINC000878255095 590529753 /nfs/dbraw/zinc/52/97/53/590529753.db2.gz CRCFHPVETGDULC-UHFFFAOYSA-N 0 3 236.319 0.350 20 0 BCADHN C[C@@H]1COCCN(CCc2cncn2C)C1 ZINC000878299444 590537918 /nfs/dbraw/zinc/53/79/18/590537918.db2.gz UBXDKAZDMNRVHU-NSHDSACASA-N 0 3 223.320 0.931 20 0 BCADHN C=C/C=C\CC[NH+]1CCC2(CC1)NC(=O)[N-]C2=O ZINC000878309328 590539997 /nfs/dbraw/zinc/53/99/97/590539997.db2.gz LKCBRXCMAVPVQK-ARJAWSKDSA-N 0 3 249.314 0.793 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCNC(=O)C[C@H]2C)C1 ZINC000878316539 590542958 /nfs/dbraw/zinc/54/29/58/590542958.db2.gz IASCKJNYKCAGQX-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1CN(CCc2cncn2C)CCN1C ZINC000878316434 590543254 /nfs/dbraw/zinc/54/32/54/590543254.db2.gz JAEYDSZDMLVSLQ-LLVKDONJSA-N 0 3 222.336 0.599 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1C[C@H]1CC2(CCC2)CO1 ZINC000878320622 590545451 /nfs/dbraw/zinc/54/54/51/590545451.db2.gz HWWPHNJHGABYOO-SDDRHHMPSA-N 0 3 241.331 0.373 20 0 BCADHN FC(F)[C@@H]1CCN(CCn2cnnn2)C1 ZINC000878319872 590545618 /nfs/dbraw/zinc/54/56/18/590545618.db2.gz CFMLLOHKDWEAGR-SSDOTTSWSA-N 0 3 217.223 0.260 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)O)[C@H](C)CN1C ZINC000878336499 590549342 /nfs/dbraw/zinc/54/93/42/590549342.db2.gz ZBOZBWKKWMNFKJ-UTUOFQBUSA-N 0 3 244.379 0.533 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC2(O)CCCC2)C[C@H]1O ZINC000878335356 590549786 /nfs/dbraw/zinc/54/97/86/590549786.db2.gz LRVUCMJZOGOCCN-IJLUTSLNSA-N 0 3 243.347 0.355 20 0 BCADHN CC[C@@H](CSC)N(C)CCc1nnnn1C ZINC000878343889 590552854 /nfs/dbraw/zinc/55/28/54/590552854.db2.gz MHOVTJDFWZAWPB-VIFPVBQESA-N 0 3 243.380 0.826 20 0 BCADHN CC1(C)CC[C@@H](CNC2(C(N)=O)CC2)OC1 ZINC000878385370 590558032 /nfs/dbraw/zinc/55/80/32/590558032.db2.gz PBTQVEVCFBDQJQ-VIFPVBQESA-N 0 3 226.320 0.799 20 0 BCADHN NC(=O)C1(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000878386492 590558422 /nfs/dbraw/zinc/55/84/22/590558422.db2.gz ZUFXWQDYKKWUEM-UTLUCORTSA-N 0 3 224.304 0.552 20 0 BCADHN CC(C)n1cc([C@H](C)NCCn2cnnn2)cn1 ZINC000878417638 590563345 /nfs/dbraw/zinc/56/33/45/590563345.db2.gz DNIMWOTZYAUASS-JTQLQIEISA-N 0 3 249.322 0.801 20 0 BCADHN Cc1cccnc1NC(=O)CN[C@H](CO)C1CC1 ZINC000878419917 590564411 /nfs/dbraw/zinc/56/44/11/590564411.db2.gz KJJAMEVPVMYXDL-LLVKDONJSA-N 0 3 249.314 0.689 20 0 BCADHN CC(C)[C@H](O)CCN1CCN2CCOC[C@@H]2C1 ZINC000878429377 590565796 /nfs/dbraw/zinc/56/57/96/590565796.db2.gz FWSJJJKQLHSIQZ-QWHCGFSZSA-N 0 3 242.363 0.410 20 0 BCADHN CN(C[C@H](O)CC1(O)CCCC1)C1CC(O)C1 ZINC000878430807 590565810 /nfs/dbraw/zinc/56/58/10/590565810.db2.gz TVMWNLBFOUCMNW-HTAVTVPLSA-N 0 3 243.347 0.498 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCOC[C@H]2C[C@@H](C)O)C1 ZINC000878437387 590567806 /nfs/dbraw/zinc/56/78/06/590567806.db2.gz NQVFNWRYLGUDIR-LPWJVIDDSA-N 0 3 243.347 0.883 20 0 BCADHN CC[C@@]1(CO)CCCN(CCn2cnnn2)C1 ZINC000878464548 590571241 /nfs/dbraw/zinc/57/12/41/590571241.db2.gz AKPSWBCALOOLNG-LLVKDONJSA-N 0 3 239.323 0.158 20 0 BCADHN CC(C)[C@@H](O)CCN1CCN(CCO)[C@H](C)C1 ZINC000878464683 590571708 /nfs/dbraw/zinc/57/17/08/590571708.db2.gz FEWUVOBUGUVXCG-OLZOCXBDSA-N 0 3 244.379 0.392 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1CC[C@@H](O)C(C)(C)C1 ZINC000878482058 590576701 /nfs/dbraw/zinc/57/67/01/590576701.db2.gz JGCVMBSIXADCPH-GHMZBOCLSA-N 0 3 245.363 0.601 20 0 BCADHN C[C@H]1CN(c2ccnc(CO)c2)CC[C@@H]1O ZINC000127155977 590577995 /nfs/dbraw/zinc/57/79/95/590577995.db2.gz UOSCYCBVNAPSOV-CABZTGNLSA-N 0 3 222.288 0.781 20 0 BCADHN C[C@H](O)[C@H]1C[C@H](C)CCN1CCn1cnnn1 ZINC000878486873 590578587 /nfs/dbraw/zinc/57/85/87/590578587.db2.gz IVYCDZMUUIMFFW-OUAUKWLOSA-N 0 3 239.323 0.154 20 0 BCADHN COC(=O)[C@H]1CCN(CCc2cnccn2)[C@@H]1C ZINC000878492284 590579624 /nfs/dbraw/zinc/57/96/24/590579624.db2.gz FLHZWLVNCDVPCV-PWSUYJOCSA-N 0 3 249.314 0.903 20 0 BCADHN CN(CCOCCO)C[C@H]1CC2(CCC2)CO1 ZINC000878561842 590592141 /nfs/dbraw/zinc/59/21/41/590592141.db2.gz WBRAXJWTUWLQMB-GFCCVEGCSA-N 0 3 243.347 0.886 20 0 BCADHN C[C@@H](CO)N(C)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000878568331 590592816 /nfs/dbraw/zinc/59/28/16/590592816.db2.gz YNNWDZQQQLTDGJ-ZMLRMANQSA-N 0 3 231.336 0.211 20 0 BCADHN CCOC1CC(N(C)CCc2nnnn2C)C1 ZINC000878618548 590596992 /nfs/dbraw/zinc/59/69/92/590596992.db2.gz CTQMHBJTVYCTFS-UHFFFAOYSA-N 0 3 239.323 0.252 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@@H](O)CC(C)(C)O ZINC000878655987 590603426 /nfs/dbraw/zinc/60/34/26/590603426.db2.gz DYVFLEHRPWTASF-NEPJUHHUSA-N 0 3 244.379 0.534 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCC[C@@H]2C(N)=O)C1 ZINC000878680115 590608630 /nfs/dbraw/zinc/60/86/30/590608630.db2.gz HXFKVAZRNZZWKW-KXUCPTDWSA-N 0 3 212.293 0.361 20 0 BCADHN CCNC(=O)C(C)(C)NCC[C@H](O)C(C)C ZINC000878697657 590610932 /nfs/dbraw/zinc/61/09/32/590610932.db2.gz IJVTZDHBQXRUCN-JTQLQIEISA-N 0 3 230.352 0.898 20 0 BCADHN CC1(C)CN(CCn2cnnn2)[C@@H]2COC[C@@H]21 ZINC000878694631 590611612 /nfs/dbraw/zinc/61/16/12/590611612.db2.gz ICLXHPIIHQUHTQ-VHSXEESVSA-N 0 3 237.307 0.030 20 0 BCADHN CN(CCc1nnnn1C)C1CC(C)(C)C1 ZINC000878704142 590612281 /nfs/dbraw/zinc/61/22/81/590612281.db2.gz QGRAFFNDSDZKTJ-UHFFFAOYSA-N 0 3 223.324 0.873 20 0 BCADHN Cc1cc(N(C)CC[C@H](C)O)nc(N)n1 ZINC000127283343 590613921 /nfs/dbraw/zinc/61/39/21/590613921.db2.gz LCCJQVCENCIEAC-QMMMGPOBSA-N 0 3 210.281 0.574 20 0 BCADHN Cc1cc(N(C)CC[C@@H](C)O)nc(N)n1 ZINC000127283090 590613774 /nfs/dbraw/zinc/61/37/74/590613774.db2.gz LCCJQVCENCIEAC-MRVPVSSYSA-N 0 3 210.281 0.574 20 0 BCADHN CC(C)N(Cc1cnc[nH]1)C[C@@H]1CCC(=O)N1 ZINC000878713808 590614707 /nfs/dbraw/zinc/61/47/07/590614707.db2.gz CACCHYIEJHMJIH-JTQLQIEISA-N 0 3 236.319 0.899 20 0 BCADHN CO[C@H]1C[C@@H](CN2CC[C@@H](NC(C)=O)C2)C1 ZINC000878720941 590615890 /nfs/dbraw/zinc/61/58/90/590615890.db2.gz QXXBVBAKEBWUSR-UTUOFQBUSA-N 0 3 226.320 0.622 20 0 BCADHN CC1(C(N)=O)CN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000878757568 590618871 /nfs/dbraw/zinc/61/88/71/590618871.db2.gz PBPNAVLIOPPXNT-VWYCJHECSA-N 0 3 238.331 0.751 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H]1CC2(CCC2)CO1 ZINC000878761599 590619314 /nfs/dbraw/zinc/61/93/14/590619314.db2.gz ONMJFWZFJQECES-QJPTWQEYSA-N 0 3 241.331 0.949 20 0 BCADHN CO[C@@H]1COC[C@H]1NCC[C@H](O)C(C)C ZINC000878761620 590619418 /nfs/dbraw/zinc/61/94/18/590619418.db2.gz PDKSJZRGESRDCC-OUAUKWLOSA-N 0 3 217.309 0.397 20 0 BCADHN CN1CCC[C@@H](CNC(=O)COC2CC2)C1 ZINC000878780599 590621008 /nfs/dbraw/zinc/62/10/08/590621008.db2.gz WBTMKKAVMYEGLJ-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN FC1(F)CC12CCN(CCn1cnnn1)CC2 ZINC000878806692 590625757 /nfs/dbraw/zinc/62/57/57/590625757.db2.gz QVEJZXWVIRBHNC-UHFFFAOYSA-N 0 3 243.261 0.794 20 0 BCADHN CCN1[C@H](C)CN(Cc2cnon2)C[C@@H]1C ZINC000878837039 590629984 /nfs/dbraw/zinc/62/99/84/590629984.db2.gz QCOJNRVAZVEIKS-AOOOYVTPSA-N 0 3 224.308 0.984 20 0 BCADHN C[C@H](O)CN(C[C@@H](O)CC(C)(C)O)C1CC1 ZINC000878848749 590632742 /nfs/dbraw/zinc/63/27/42/590632742.db2.gz AIDUUIGANUNYRO-ONGXEEELSA-N 0 3 231.336 0.354 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NCC[C@H](O)C(C)C ZINC000878914868 590649969 /nfs/dbraw/zinc/64/99/69/590649969.db2.gz AHUKOBNXLSGLIG-GARJFASQSA-N 0 3 245.319 0.314 20 0 BCADHN CC(C)[C@@H](O)CCN(C)C[C@H]1COCCO1 ZINC000878935393 590655784 /nfs/dbraw/zinc/65/57/84/590655784.db2.gz JCDVNHHVFPKOGM-RYUDHWBXSA-N 0 3 231.336 0.741 20 0 BCADHN CC(C)[C@@H](O)CCNC1(C(N)=O)CCOCC1 ZINC000878934711 590656004 /nfs/dbraw/zinc/65/60/04/590656004.db2.gz RFIQUFZUEZAAMB-JTQLQIEISA-N 0 3 244.335 0.018 20 0 BCADHN CN1CCC2(CCN2C(=O)COC2CC2)CC1 ZINC000878954463 590660631 /nfs/dbraw/zinc/66/06/31/590660631.db2.gz AGJQWVPDXWMWQD-UHFFFAOYSA-N 0 3 238.331 0.862 20 0 BCADHN CC[C@H](NCc1nnc2c(=O)[nH]ccn12)C1CC1 ZINC000878951174 590660961 /nfs/dbraw/zinc/66/09/61/590660961.db2.gz FLWAKXPAFIQEML-VIFPVBQESA-N 0 3 247.302 0.696 20 0 BCADHN C[C@H]1C[C@H](NC(=O)COC2CC2)CCN1C ZINC000878961388 590661676 /nfs/dbraw/zinc/66/16/76/590661676.db2.gz WZFYSPDIXKVOCD-VHSXEESVSA-N 0 3 226.320 0.764 20 0 BCADHN COCCCN(C)CCNC(=O)COC1CC1 ZINC000878962880 590662003 /nfs/dbraw/zinc/66/20/03/590662003.db2.gz OUGNRQYNVNEWSS-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN NC(=O)[C@@H]1C[C@@H](O)CN1CC1CC2(CCC2)C1 ZINC000879013359 590676649 /nfs/dbraw/zinc/67/66/49/590676649.db2.gz LCLCPFTZJYGQCM-MNOVXSKESA-N 0 3 238.331 0.487 20 0 BCADHN COCCCN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879041361 590683509 /nfs/dbraw/zinc/68/35/09/590683509.db2.gz FAWIIIBKEMBALT-SNVBAGLBSA-N 0 3 232.299 0.558 20 0 BCADHN CO[C@H](C)CN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044141 590685036 /nfs/dbraw/zinc/68/50/36/590685036.db2.gz PWSMTGSYGGBBPQ-PSASIEDQSA-N 0 3 232.299 0.557 20 0 BCADHN NC(=O)[C@@H](F)C1CCN(C[C@@H](O)C2CC2)CC1 ZINC000879043126 590685559 /nfs/dbraw/zinc/68/55/59/590685559.db2.gz FESLPRNCZSYOBF-MNOVXSKESA-N 0 3 244.310 0.293 20 0 BCADHN CSC[C@H](C)NCCS(C)(=O)=O ZINC000127506275 590694572 /nfs/dbraw/zinc/69/45/72/590694572.db2.gz ZEMLFXXXSVDOFZ-ZETCQYMHSA-N 0 3 211.352 0.372 20 0 BCADHN C[C@@H]1CCN(CC2OCCO2)[C@H](CO)C1 ZINC000879149578 590703571 /nfs/dbraw/zinc/70/35/71/590703571.db2.gz OOUOAIONYBVGGR-ZJUUUORDSA-N 0 3 215.293 0.452 20 0 BCADHN CC[C@]1(O)CCCN(CC2OCCO2)C1 ZINC000879313629 590736798 /nfs/dbraw/zinc/73/67/98/590736798.db2.gz NBPRKVUEGMSRHE-NSHDSACASA-N 0 3 215.293 0.596 20 0 BCADHN CO[C@H]1CC[C@@H](C)N(CC(=O)N(C)C)C1 ZINC000879317581 590738943 /nfs/dbraw/zinc/73/89/43/590738943.db2.gz FYAQFUDFTPLXRN-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN CO[C@@H]1CC[C@@H](C)N(CC(=O)N(C)C)C1 ZINC000879317578 590739368 /nfs/dbraw/zinc/73/93/68/590739368.db2.gz FYAQFUDFTPLXRN-NXEZZACHSA-N 0 3 214.309 0.574 20 0 BCADHN CO[C@H]1CC[C@H](C)N(CCN2CCOC2=O)C1 ZINC000879322794 590741702 /nfs/dbraw/zinc/74/17/02/590741702.db2.gz XTPVKKSMTPDDNT-QWRGUYRKSA-N 0 3 242.319 0.938 20 0 BCADHN CO[C@H]1CC[C@@H](C)N(CCN2CCOCC2)C1 ZINC000879321133 590742613 /nfs/dbraw/zinc/74/26/13/590742613.db2.gz NUZBMNYGWXZRDB-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN CO[C@H]1CC[C@@H](C)N(CCN2CCNC2=O)C1 ZINC000879326111 590746265 /nfs/dbraw/zinc/74/62/65/590746265.db2.gz PQRFDUTVJUEQPS-MNOVXSKESA-N 0 3 241.335 0.511 20 0 BCADHN CO[C@@H]1CC[C@@H](C)N(C[C@H]2COCCO2)C1 ZINC000879325110 590746748 /nfs/dbraw/zinc/74/67/48/590746748.db2.gz LIRIATMLBFIMHD-UTUOFQBUSA-N 0 3 229.320 0.901 20 0 BCADHN CNC(=O)NC[C@H]1CCCCN1C[C@H](C)OC ZINC000879336922 590750931 /nfs/dbraw/zinc/75/09/31/590750931.db2.gz ZQRGEXGXMOBHKJ-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN C[S@](=O)CCN1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000879420117 590767111 /nfs/dbraw/zinc/76/71/11/590767111.db2.gz SFLOGANZDCSTMQ-YMEQNVIZSA-N 0 3 245.388 0.990 20 0 BCADHN COC(=O)C[C@](C)(NCC(=O)N(C)C)C1CC1 ZINC000879439208 590769606 /nfs/dbraw/zinc/76/96/06/590769606.db2.gz POHKXGCXGVSKSX-LBPRGKRZSA-N 0 3 242.319 0.396 20 0 BCADHN CN(C)C1(CNC(=O)Nc2cnnn2C)CC1 ZINC000879477617 590777946 /nfs/dbraw/zinc/77/79/46/590777946.db2.gz IJVQRWJYMLAMTH-UHFFFAOYSA-N 0 3 238.295 0.031 20 0 BCADHN COC[C@@H](C)N(CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879485855 590779989 /nfs/dbraw/zinc/77/99/89/590779989.db2.gz HZDAZMSDRKROIE-BXKDBHETSA-N 0 3 240.347 0.997 20 0 BCADHN CC[C@H](O)CN(CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879485971 590780436 /nfs/dbraw/zinc/78/04/36/590780436.db2.gz IIGYCMGSKRDOMR-NWDGAFQWSA-N 0 3 240.347 0.733 20 0 BCADHN OCCN1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499025 590782784 /nfs/dbraw/zinc/78/27/84/590782784.db2.gz GTJJZQCTDUYKIX-GFCCVEGCSA-N 0 3 233.315 0.858 20 0 BCADHN CN1C(=O)[C@H]2CN(C/C=C\Cl)C[C@H]2C1=O ZINC000879531646 590794343 /nfs/dbraw/zinc/79/43/43/590794343.db2.gz ISROUKLIRZPUSZ-UPRYCODTSA-N 0 3 228.679 0.286 20 0 BCADHN O=C(CN1CC[C@H]2CSC[C@H]2C1)NC1CC1 ZINC000879555574 590799659 /nfs/dbraw/zinc/79/96/59/590799659.db2.gz OJQIBPAQBRDGNV-VHSXEESVSA-N 0 3 240.372 0.950 20 0 BCADHN CCNC(=O)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879555161 590799702 /nfs/dbraw/zinc/79/97/02/590799702.db2.gz KPAZBRIRTSANRA-ZJUUUORDSA-N 0 3 228.361 0.807 20 0 BCADHN O=C(CN1CC[C@H]2CSC[C@H]2C1)N1CCC1 ZINC000879558740 590800533 /nfs/dbraw/zinc/80/05/33/590800533.db2.gz PCARSOUVHZKJQP-WDEREUQCSA-N 0 3 240.372 0.904 20 0 BCADHN O[C@@H]1CCN(CCCCCF)C[C@@H]1O ZINC000879609504 590820232 /nfs/dbraw/zinc/82/02/32/590820232.db2.gz YGLRNWVFYZKFTK-ZJUUUORDSA-N 0 3 205.273 0.554 20 0 BCADHN CC1(C)C[C@@H](O)CN(CCn2cncn2)C1 ZINC000879619070 590824471 /nfs/dbraw/zinc/82/44/71/590824471.db2.gz MBKLQSIPEPXCAQ-SNVBAGLBSA-N 0 3 224.308 0.371 20 0 BCADHN COC(CN1CCN(C)[C@@H](C(C)C)C1)OC ZINC000879600853 590825267 /nfs/dbraw/zinc/82/52/67/590825267.db2.gz HETHYICAUZZVDG-LLVKDONJSA-N 0 3 230.352 0.877 20 0 BCADHN O[C@@H]1CCN(C[C@@H]2CCC3(CCC3)O2)C[C@@H]1O ZINC000879608776 590827589 /nfs/dbraw/zinc/82/75/89/590827589.db2.gz ZQIQUOJDJCJPRB-TUAOUCFPSA-N 0 3 241.331 0.516 20 0 BCADHN O[C@@H]1CCN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@@H]1O ZINC000879608694 590828767 /nfs/dbraw/zinc/82/87/67/590828767.db2.gz SPIGKGQZOYINFI-WJTVCTBASA-N 0 3 241.331 0.372 20 0 BCADHN O[C@@H]1CCN(CCOCC2CCCC2)C[C@@H]1O ZINC000879609062 590829066 /nfs/dbraw/zinc/82/90/66/590829066.db2.gz LOHAFXBHEBLPEW-OLZOCXBDSA-N 0 3 243.347 0.621 20 0 BCADHN CN1CC[C@H](N2C[C@@H](O)CC(C)(C)C2)C1=O ZINC000879619101 590831861 /nfs/dbraw/zinc/83/18/61/590831861.db2.gz MVJIEJJVXVYCNE-UWVGGRQHSA-N 0 3 226.320 0.310 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@@H](O)CC(C)(C)C1 ZINC000879617653 590832125 /nfs/dbraw/zinc/83/21/25/590832125.db2.gz QLJRKHZZAKWCNB-NWDGAFQWSA-N 0 3 245.363 0.865 20 0 BCADHN CC1(C)C[C@H](O)CN(CCn2cncn2)C1 ZINC000879619069 590832666 /nfs/dbraw/zinc/83/26/66/590832666.db2.gz MBKLQSIPEPXCAQ-JTQLQIEISA-N 0 3 224.308 0.371 20 0 BCADHN CN1CC[C@@H](N2C[C@H](O)CC(C)(C)C2)C1=O ZINC000879619100 590833116 /nfs/dbraw/zinc/83/31/16/590833116.db2.gz MVJIEJJVXVYCNE-NXEZZACHSA-N 0 3 226.320 0.310 20 0 BCADHN COC(CN1C[C@@H](O)CC(C)(C)C1)OC ZINC000879621871 590835807 /nfs/dbraw/zinc/83/58/07/590835807.db2.gz GCDZRMGBBCKHFQ-VIFPVBQESA-N 0 3 217.309 0.698 20 0 BCADHN CC1(C)C[C@@H](O)CN(C[C@H]2COCCO2)C1 ZINC000879624185 590837353 /nfs/dbraw/zinc/83/73/53/590837353.db2.gz OGYFWGNCCLLAOK-MNOVXSKESA-N 0 3 229.320 0.495 20 0 BCADHN CCN1CC[C@@H](N2C[C@H](O)CC(C)(C)C2)C1=O ZINC000879623877 590838642 /nfs/dbraw/zinc/83/86/42/590838642.db2.gz IDMZIMXURRTEEE-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](c1ccccn1)N1C[C@H](CO)[C@H](CO)C1 ZINC000879697000 590851083 /nfs/dbraw/zinc/85/10/83/590851083.db2.gz WXRZZDUFTZMUJI-UTUOFQBUSA-N 0 3 236.315 0.675 20 0 BCADHN O=C1NCCO[C@H]2CCCN(CCC3CC3)[C@H]12 ZINC000879720739 590855692 /nfs/dbraw/zinc/85/56/92/590855692.db2.gz ZUNWBXVBINGTLX-RYUDHWBXSA-N 0 3 238.331 0.766 20 0 BCADHN CNC(=O)CNC1([C@@H]2CCCCO2)CCC1 ZINC000879730314 590857342 /nfs/dbraw/zinc/85/73/42/590857342.db2.gz AOYUVOGHQGGFNP-JTQLQIEISA-N 0 3 226.320 0.814 20 0 BCADHN OCCC1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]n1 ZINC000879776882 590867115 /nfs/dbraw/zinc/86/71/15/590867115.db2.gz LBKKRYCHBZJTIW-CLYYMRHHSA-N 0 3 236.319 0.930 20 0 BCADHN OCCC1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]nn1 ZINC000879776882 590867118 /nfs/dbraw/zinc/86/71/18/590867118.db2.gz LBKKRYCHBZJTIW-CLYYMRHHSA-N 0 3 236.319 0.930 20 0 BCADHN CCOCC[NH+]1CCC(C(=O)[N-]OC)CC1 ZINC000879922499 590889184 /nfs/dbraw/zinc/88/91/84/590889184.db2.gz CJRNMFPAEXAGDV-UHFFFAOYSA-N 0 3 230.308 0.413 20 0 BCADHN CCOCCN1CCC(C(=O)NOC)CC1 ZINC000879922499 590889185 /nfs/dbraw/zinc/88/91/85/590889185.db2.gz CJRNMFPAEXAGDV-UHFFFAOYSA-N 0 3 230.308 0.413 20 0 BCADHN C[C@@H](O)CCN1CCC(c2nnnn2C)CC1 ZINC000879916142 590889541 /nfs/dbraw/zinc/88/95/41/590889541.db2.gz IOAZDSQRDJWVFS-SECBINFHSA-N 0 3 239.323 0.160 20 0 BCADHN CO[N-]C(=O)C1CC[NH+](CCSC)CC1 ZINC000879923504 590889549 /nfs/dbraw/zinc/88/95/49/590889549.db2.gz VNOAOYPITPJRDV-UHFFFAOYSA-N 0 3 232.349 0.739 20 0 BCADHN OCC1(CO)CCN(CCCF)CC1 ZINC000879969256 590900559 /nfs/dbraw/zinc/90/05/59/590900559.db2.gz BQIGTCVPOVAZGM-UHFFFAOYSA-N 0 3 205.273 0.413 20 0 BCADHN CN1C[C@H]2CCN(C(=O)COC3CC3)[C@H]2C1 ZINC000880090131 590922875 /nfs/dbraw/zinc/92/28/75/590922875.db2.gz GYNRBXBFKCZCHA-KOLCDFICSA-N 0 3 224.304 0.328 20 0 BCADHN Cc1nccnc1[C@@H](C)NCCc1cn[nH]n1 ZINC000880109013 590927512 /nfs/dbraw/zinc/92/75/12/590927512.db2.gz NYUDDJSYBCJTQZ-MRVPVSSYSA-N 0 3 232.291 0.796 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2CC1OCCO1 ZINC000880135977 590934011 /nfs/dbraw/zinc/93/40/11/590934011.db2.gz CZDYAUFLZSORTJ-QWRGUYRKSA-N 0 3 226.320 0.528 20 0 BCADHN CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCCN2C ZINC000880131253 590934153 /nfs/dbraw/zinc/93/41/53/590934153.db2.gz SIANZVWADRDTGJ-QWRGUYRKSA-N 0 3 225.336 0.243 20 0 BCADHN Cn1ncnc1CN1CC[C@H]2[C@H]1CCCN2C ZINC000880133137 590935510 /nfs/dbraw/zinc/93/55/10/590935510.db2.gz NJHLOFHWIATGLE-WDEREUQCSA-N 0 3 235.335 0.484 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2CC[S@](C)=O ZINC000880137202 590939336 /nfs/dbraw/zinc/93/93/36/590939336.db2.gz ZRRLVNSITXNAIJ-HFAKWTLXSA-N 0 3 230.377 0.533 20 0 BCADHN CC(C)(O)[C@H]1CCN(Cc2c[nH]nn2)C1 ZINC000880149224 590945597 /nfs/dbraw/zinc/94/55/97/590945597.db2.gz YAHFGCRDNOENED-QMMMGPOBSA-N 0 3 210.281 0.398 20 0 BCADHN CC1(CN2CCNC(=O)CC23CCC3)COC1 ZINC000880167651 590948278 /nfs/dbraw/zinc/94/82/78/590948278.db2.gz VMYANMNUXVNIIM-UHFFFAOYSA-N 0 3 238.331 0.768 20 0 BCADHN O=C1CC2(CCC2)N(CCn2ccnc2)CCN1 ZINC000880168990 590949071 /nfs/dbraw/zinc/94/90/71/590949071.db2.gz 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CC(=O)NCCCN(C)[C@@H](CC(C)C)C(N)=O ZINC000880587626 591101504 /nfs/dbraw/zinc/10/15/04/591101504.db2.gz ITTNWAIDGZXMKG-NSHDSACASA-N 0 3 243.351 0.344 20 0 BCADHN c1cnc(CCN2CCc3ncncc3C2)cn1 ZINC000880598848 591107858 /nfs/dbraw/zinc/10/78/58/591107858.db2.gz ZIMCCJAXERXHHK-UHFFFAOYSA-N 0 3 241.298 0.867 20 0 BCADHN CCN1CCCC[C@H]1C(=O)NCCN(C)OC ZINC000880642993 591114879 /nfs/dbraw/zinc/11/48/79/591114879.db2.gz XYFASODEVXMVSX-NSHDSACASA-N 0 3 243.351 0.470 20 0 BCADHN CC(C)[C@@H](C(=O)NC1CSC1)N(C)C ZINC000880733828 591134160 /nfs/dbraw/zinc/13/41/60/591134160.db2.gz XSBNGHORHCDXDS-VIFPVBQESA-N 0 3 216.350 0.804 20 0 BCADHN CC[C@@H](C(=O)OC)n1cc([C@@H](C)N)nn1 ZINC000881135872 591165965 /nfs/dbraw/zinc/16/59/65/591165965.db2.gz MQADXEWEVPUKJH-SVRRBLITSA-N 0 3 212.253 0.422 20 0 BCADHN CC(C)COC(=O)Cn1cc([C@H](C)N)nn1 ZINC000881309163 591186390 /nfs/dbraw/zinc/18/63/90/591186390.db2.gz RZLUMOPSVJFPTG-QMMMGPOBSA-N 0 3 226.280 0.497 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)n1cc([C@H](C)N)nn1 ZINC000881346025 591194042 /nfs/dbraw/zinc/19/40/42/591194042.db2.gz KWVHLXORFVJAPO-DTWKUNHWSA-N 0 3 239.323 0.726 20 0 BCADHN CC(C)(C)[C@@H](N)c1cn(Cc2cnon2)nn1 ZINC000881358498 591195399 /nfs/dbraw/zinc/19/53/99/591195399.db2.gz AYKLBNSXASXHCH-VIFPVBQESA-N 0 3 236.279 0.755 20 0 BCADHN C[C@@H](N)c1cn(Cc2ccncc2F)nn1 ZINC000881366154 591196130 /nfs/dbraw/zinc/19/61/30/591196130.db2.gz XWHPVYLKZKNSBG-SSDOTTSWSA-N 0 3 221.239 0.880 20 0 BCADHN CC[C@@H](N)c1cn(C[C@@H]2COC(C)(C)O2)nn1 ZINC000881391668 591199736 /nfs/dbraw/zinc/19/97/36/591199736.db2.gz ITUWAMVKOKQEBN-RKDXNWHRSA-N 0 3 240.307 0.839 20 0 BCADHN CC(C)OCC[C@@H](O)Cn1cc([C@@H](C)N)nn1 ZINC000881423098 591202935 /nfs/dbraw/zinc/20/29/35/591202935.db2.gz NMZALGDQLASVJZ-NXEZZACHSA-N 0 3 242.323 0.474 20 0 BCADHN COC[C@@H](N)Cc1cn(C/C=C\Cl)nn1 ZINC000881427298 591204011 /nfs/dbraw/zinc/20/40/11/591204011.db2.gz HWMOGFZUBLDKBT-KZUAUGPASA-N 0 3 230.699 0.547 20 0 BCADHN COCC(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000881637475 591258794 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ZINC000884464630 591942840 /nfs/dbraw/zinc/94/28/40/591942840.db2.gz WTRYQNDDBURQLC-VIFPVBQESA-N 0 3 232.299 0.701 20 0 BCADHN c1nncn1CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000884480921 591950874 /nfs/dbraw/zinc/95/08/74/591950874.db2.gz CTWWTOMJDRUDHL-GHMZBOCLSA-N 0 3 222.292 0.737 20 0 BCADHN C[C@@H](NCCCNC(=O)OC(C)(C)C)C(N)=O ZINC000135270771 592000475 /nfs/dbraw/zinc/00/04/75/592000475.db2.gz YOPGTSLYNIXTAE-MRVPVSSYSA-N 0 3 245.323 0.365 20 0 BCADHN COCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1C ZINC000216238143 592015135 /nfs/dbraw/zinc/01/51/35/592015135.db2.gz RJFWLAURIVIFQT-GUBZILKMSA-N 0 3 214.309 0.655 20 0 BCADHN COCCNCCNC(=O)N1CCC(C)CC1 ZINC000216273933 592015815 /nfs/dbraw/zinc/01/58/15/592015815.db2.gz CRPRFIDXMPUTMI-UHFFFAOYSA-N 0 3 243.351 0.664 20 0 BCADHN Cc1nccc(NCCN(C)CCO)n1 ZINC000884824920 592017776 /nfs/dbraw/zinc/01/77/76/592017776.db2.gz VVVHUMJZVIWVDM-UHFFFAOYSA-N 0 3 210.281 0.121 20 0 BCADHN CCc1cc(NCCN(C)CCO)ncn1 ZINC000884824756 592021749 /nfs/dbraw/zinc/02/17/49/592021749.db2.gz MHFLLDSTIGQCCD-UHFFFAOYSA-N 0 3 224.308 0.375 20 0 BCADHN COCc1nsc(NCCN(C)CCO)n1 ZINC000884824892 592021860 /nfs/dbraw/zinc/02/18/60/592021860.db2.gz UTSKPMQDRVUENG-UHFFFAOYSA-N 0 3 246.336 0.021 20 0 BCADHN CN(CCO)CCNc1nnc(C2CC2)s1 ZINC000884824932 592022483 /nfs/dbraw/zinc/02/24/83/592022483.db2.gz WJZPXXZVYKPDSX-UHFFFAOYSA-N 0 3 242.348 0.752 20 0 BCADHN CN(CCO)CCNc1ncnc2[nH]ccc21 ZINC000884823798 592023036 /nfs/dbraw/zinc/02/30/36/592023036.db2.gz FPDJGNBEGDDQRD-UHFFFAOYSA-N 0 3 235.291 0.294 20 0 BCADHN CN(CCO)CCNc1ncc(Cl)cn1 ZINC000884824767 592023179 /nfs/dbraw/zinc/02/31/79/592023179.db2.gz MYAANHYBPOWFIN-UHFFFAOYSA-N 0 3 230.699 0.466 20 0 BCADHN COC(=O)c1coc(CN[C@H]2CCN(C)C2)c1 ZINC000135634796 592026577 /nfs/dbraw/zinc/02/65/77/592026577.db2.gz SNOSPXCNNZDXPZ-JTQLQIEISA-N 0 3 238.287 0.860 20 0 BCADHN COCCOC(=O)NC[C@H](C)N(C)C1CC1 ZINC000884998225 592032495 /nfs/dbraw/zinc/03/24/95/592032495.db2.gz MDDUTJRWFFXLGU-VIFPVBQESA-N 0 3 230.308 0.842 20 0 BCADHN COCCOC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000885031541 592034368 /nfs/dbraw/zinc/03/43/68/592034368.db2.gz LNPRHBZDWZGAGA-ZJUUUORDSA-N 0 3 230.308 0.842 20 0 BCADHN COCCOC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000885031537 592035365 /nfs/dbraw/zinc/03/53/65/592035365.db2.gz LNPRHBZDWZGAGA-NXEZZACHSA-N 0 3 230.308 0.842 20 0 BCADHN COCCOC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000885053161 592040245 /nfs/dbraw/zinc/04/02/45/592040245.db2.gz HQMLNASJHWRXST-VHSXEESVSA-N 0 3 242.319 0.984 20 0 BCADHN C[C@H]1CCC(=O)CN1C(=O)[C@H]1CCN(C)C1 ZINC000885079772 592048173 /nfs/dbraw/zinc/04/81/73/592048173.db2.gz CVFSYUDLBKHPDR-UWVGGRQHSA-N 0 3 224.304 0.518 20 0 BCADHN CCCN1CC[C@@H](NC(=O)OCCOC)C1 ZINC000885304221 592064416 /nfs/dbraw/zinc/06/44/16/592064416.db2.gz FNTWHHLWNHZBCO-SNVBAGLBSA-N 0 3 230.308 0.843 20 0 BCADHN CCN(CC)CC(=O)NCCO[C@H]1CCOC1 ZINC000885731441 592095790 /nfs/dbraw/zinc/09/57/90/592095790.db2.gz QLUBUYWSDRHKAB-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CC(C)N(CC(N)=O)C[C@@H]1C[C@@]12CCOC2 ZINC000885940585 592111607 /nfs/dbraw/zinc/11/16/07/592111607.db2.gz MKXJDDPQSJXQIQ-CMPLNLGQSA-N 0 3 226.320 0.609 20 0 BCADHN CC(=O)N1CCN(C[C@H]2C[C@]23CCOC3)CC1 ZINC000885944990 592113054 /nfs/dbraw/zinc/11/30/54/592113054.db2.gz XJBIGAWOSKSQLJ-OLZOCXBDSA-N 0 3 238.331 0.577 20 0 BCADHN CN(CC(=O)N(C)C)C[C@@H]1C[C@@]12CCOC2 ZINC000885946320 592113315 /nfs/dbraw/zinc/11/33/15/592113315.db2.gz HRGPMWFEDGFHSW-CMPLNLGQSA-N 0 3 226.320 0.433 20 0 BCADHN Cc1n[nH]c(CN[C@H](C)Cn2cncn2)c1C ZINC000885952136 592113691 /nfs/dbraw/zinc/11/36/91/592113691.db2.gz XLNDBJJJPFGHDF-MRVPVSSYSA-N 0 3 234.307 0.796 20 0 BCADHN Cc1[nH]nc(CN[C@H](C)Cn2cncn2)c1C ZINC000885952136 592113693 /nfs/dbraw/zinc/11/36/93/592113693.db2.gz XLNDBJJJPFGHDF-MRVPVSSYSA-N 0 3 234.307 0.796 20 0 BCADHN COC(=O)[C@H](C)CN(C)C[C@](C)(O)C(F)F ZINC000885957924 592114384 /nfs/dbraw/zinc/11/43/84/592114384.db2.gz AMWJZDFTGWPOFH-XCBNKYQSSA-N 0 3 239.262 0.743 20 0 BCADHN CCCN(CC(=O)NC)C[C@@H]1C[C@@]12CCOC2 ZINC000885962666 592115481 /nfs/dbraw/zinc/11/54/81/592115481.db2.gz DNXXTSHMTVYZPZ-WCQYABFASA-N 0 3 240.347 0.871 20 0 BCADHN CCN(CC(=O)NC)C[C@@H]1C[C@]12CCOC2 ZINC000885962950 592115954 /nfs/dbraw/zinc/11/59/54/592115954.db2.gz IUXSUVQVUMCIMO-JQWIXIFHSA-N 0 3 226.320 0.481 20 0 BCADHN COCCCN(C)C[C@](C)(O)C(F)F ZINC000885967084 592118112 /nfs/dbraw/zinc/11/81/12/592118112.db2.gz HFIHPVPEDHOMLR-VIFPVBQESA-N 0 3 211.252 0.971 20 0 BCADHN CCOC(=O)CCN(C)C[C@@](C)(O)C(F)F ZINC000885980215 592120328 /nfs/dbraw/zinc/12/03/28/592120328.db2.gz WCYCSXXNUZIIOS-SNVBAGLBSA-N 0 3 239.262 0.888 20 0 BCADHN Cc1n[nH]c(CNC[C@@H](O)C2CC2)c1C ZINC000885983415 592120675 /nfs/dbraw/zinc/12/06/75/592120675.db2.gz FWYDBQUPGSSENF-LLVKDONJSA-N 0 3 209.293 0.887 20 0 BCADHN Cc1[nH]nc(CN[C@H](C)C(=O)N(C)C)c1C ZINC000886009917 592129786 /nfs/dbraw/zinc/12/97/86/592129786.db2.gz AUZSGLGWOOSGTO-SECBINFHSA-N 0 3 224.308 0.593 20 0 BCADHN Cc1n[nH]c(CNC[C@@]2(O)CCSC2)c1C ZINC000886008906 592130141 /nfs/dbraw/zinc/13/01/41/592130141.db2.gz WWYIUYGWMLJKEB-NSHDSACASA-N 0 3 241.360 0.984 20 0 BCADHN Cc1n[nH]c(CN[C@H](C)CC(N)=O)c1C ZINC000886024986 592134838 /nfs/dbraw/zinc/13/48/38/592134838.db2.gz BGFOHSSEXMVEER-ZCFIWIBFSA-N 0 3 210.281 0.380 20 0 BCADHN Cc1[nH]nc(CN[C@H](C)CC(N)=O)c1C ZINC000886024986 592134840 /nfs/dbraw/zinc/13/48/40/592134840.db2.gz BGFOHSSEXMVEER-ZCFIWIBFSA-N 0 3 210.281 0.380 20 0 BCADHN O[C@@H]1C[C@H](O)CN(C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000886030952 592137112 /nfs/dbraw/zinc/13/71/12/592137112.db2.gz YJOXZYQTAIRGIQ-QNWHQSFQSA-N 0 3 241.331 0.372 20 0 BCADHN C[C@@](O)(CN1CCC(C)(O)CC1)C(F)F ZINC000886039083 592139304 /nfs/dbraw/zinc/13/93/04/592139304.db2.gz HTLAIYMQGRIZAS-SNVBAGLBSA-N 0 3 223.263 0.849 20 0 BCADHN CO[C@]1(CNCc2[nH]nc(C)c2C)CCOC1 ZINC000886065029 592141772 /nfs/dbraw/zinc/14/17/72/592141772.db2.gz NRFLDOFFNJFFOO-LBPRGKRZSA-N 0 3 239.319 0.922 20 0 BCADHN CO[C@]1(CNCc2n[nH]c(C)c2C)CCOC1 ZINC000886065029 592141774 /nfs/dbraw/zinc/14/17/74/592141774.db2.gz NRFLDOFFNJFFOO-LBPRGKRZSA-N 0 3 239.319 0.922 20 0 BCADHN Cc1cn[nH]c1CNC1(C(N)=O)CCCCC1 ZINC000886072253 592142986 /nfs/dbraw/zinc/14/29/86/592142986.db2.gz BQWZNKPMYSNSFV-UHFFFAOYSA-N 0 3 236.319 0.996 20 0 BCADHN C[C@H]1CN(C[C@@](C)(O)C(F)F)CCN1C ZINC000886092184 592146449 /nfs/dbraw/zinc/14/64/49/592146449.db2.gz QQZIWDCGESSQFY-WCBMZHEXSA-N 0 3 222.279 0.638 20 0 BCADHN COC(CN(C)C[C@H]1CCOC1)OC ZINC000136779064 592150483 /nfs/dbraw/zinc/15/04/83/592150483.db2.gz CFXKAUJOUDTSJU-SECBINFHSA-N 0 3 203.282 0.574 20 0 BCADHN COCC[C@@H](CO)NCc1[nH]nc(C)c1C ZINC000886104501 592155096 /nfs/dbraw/zinc/15/50/96/592155096.db2.gz DNLAEIPOYVAALV-JTQLQIEISA-N 0 3 227.308 0.514 20 0 BCADHN COCC[C@@H](CO)NCc1n[nH]c(C)c1C ZINC000886104501 592155097 /nfs/dbraw/zinc/15/50/97/592155097.db2.gz DNLAEIPOYVAALV-JTQLQIEISA-N 0 3 227.308 0.514 20 0 BCADHN CCOCCN(C)C[C@@](C)(O)C(F)F ZINC000886102797 592155676 /nfs/dbraw/zinc/15/56/76/592155676.db2.gz QPZKTVVGQVADCZ-SECBINFHSA-N 0 3 211.252 0.971 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886138217 592161668 /nfs/dbraw/zinc/16/16/68/592161668.db2.gz DVWQLVRNSZRYPN-LOWDOPEQSA-N 0 3 241.331 0.372 20 0 BCADHN C[C@@H]1CN(C[C@@](C)(O)C(F)F)CC[C@H]1O ZINC000886146842 592162422 /nfs/dbraw/zinc/16/24/22/592162422.db2.gz DCFHTMLZOAUDKJ-NQMVMOMDSA-N 0 3 223.263 0.705 20 0 BCADHN Cc1n[nH]c(CN[C@H]2C[C@@H](C(N)=O)C2)c1C ZINC000886153224 592164612 /nfs/dbraw/zinc/16/46/12/592164612.db2.gz ABFPSBKRJMOTSD-DTORHVGOSA-N 0 3 222.292 0.380 20 0 BCADHN C([C@H]1C[C@@]12CCOC2)N1CCc2n[nH]nc2C1 ZINC000886164998 592167182 /nfs/dbraw/zinc/16/71/82/592167182.db2.gz ZFWSGNFJJOEURW-BXKDBHETSA-N 0 3 234.303 0.589 20 0 BCADHN CCN(C[C@@H]1C[C@@]12CCOC2)[C@@H]1CCNC1=O ZINC000886187901 592172918 /nfs/dbraw/zinc/17/29/18/592172918.db2.gz FEFXEYUBCCKMBV-DMDPSCGWSA-N 0 3 238.331 0.623 20 0 BCADHN OC[C@H](C[C@@H]1CCCO1)NCc1cn[nH]c1 ZINC000886219948 592179446 /nfs/dbraw/zinc/17/94/46/592179446.db2.gz AKLNVYBKTJEKDX-QWRGUYRKSA-N 0 3 225.292 0.429 20 0 BCADHN OC[C@H](C[C@@H]1CCCO1)NCc1cncnc1 ZINC000886229051 592181046 /nfs/dbraw/zinc/18/10/46/592181046.db2.gz KIEVGSMHJVSVLC-RYUDHWBXSA-N 0 3 237.303 0.496 20 0 BCADHN Cc1cn[nH]c1CN1CC[C@@](O)(C(F)F)C1 ZINC000886229484 592181184 /nfs/dbraw/zinc/18/11/84/592181184.db2.gz QFEJNRCHHDXDET-JTQLQIEISA-N 0 3 231.246 0.920 20 0 BCADHN Cn1cc(CN[C@@H](CO)C[C@@H]2CCCO2)cn1 ZINC000886229913 592181437 /nfs/dbraw/zinc/18/14/37/592181437.db2.gz XSDBVWXWOXYKQG-NEPJUHHUSA-N 0 3 239.319 0.440 20 0 BCADHN NC(=O)[C@H]1CCCN1C[C@@H]1C[C@]12CCOC2 ZINC000886234134 592181798 /nfs/dbraw/zinc/18/17/98/592181798.db2.gz GUHGHCYVRQODFM-UMNHJUIQSA-N 0 3 224.304 0.363 20 0 BCADHN COC[C@@]1(CO)CCN(Cc2[nH]ncc2C)C1 ZINC000886236373 592182214 /nfs/dbraw/zinc/18/22/14/592182214.db2.gz FYHLTQXILKHDHE-LBPRGKRZSA-N 0 3 239.319 0.549 20 0 BCADHN O[C@@H]1C[C@@H](NCc2ccccc2)C[C@@H]1O ZINC000886240902 592182990 /nfs/dbraw/zinc/18/29/90/592182990.db2.gz IEPPZEVVRFZCIU-CNDDSTCGSA-N 0 3 207.273 0.660 20 0 BCADHN Cc1ncccc1CN[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886242809 592183772 /nfs/dbraw/zinc/18/37/72/592183772.db2.gz FCRMQFSQWURPGR-CNDDSTCGSA-N 0 3 222.288 0.364 20 0 BCADHN O[C@@H]1C[C@@H](NCc2ccc3c(n2)CCC3)C[C@@H]1O ZINC000886247627 592185830 /nfs/dbraw/zinc/18/58/30/592185830.db2.gz WOEGZWVUWJNMKM-DEZZGGKRSA-N 0 3 248.326 0.544 20 0 BCADHN O[C@@H]1C[C@H](NCc2cnc3ccccn23)C[C@@H]1O ZINC000886255972 592188043 /nfs/dbraw/zinc/18/80/43/592188043.db2.gz REUSRXRBSXSHLB-YHPBZONMSA-N 0 3 247.298 0.308 20 0 BCADHN CC(C)n1cc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)cn1 ZINC000886256118 592188245 /nfs/dbraw/zinc/18/82/45/592188245.db2.gz XYQUFJGYJRFPHL-ZSBIGDGJSA-N 0 3 239.319 0.438 20 0 BCADHN Cc1ccc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886258091 592189165 /nfs/dbraw/zinc/18/91/65/592189165.db2.gz VEXMEAUZZFUZEV-CLLJXQQHSA-N 0 3 221.300 0.969 20 0 BCADHN O[C@@H]1CC[C@H](NCc2cncs2)CC[C@@H]1O ZINC000886259701 592189386 /nfs/dbraw/zinc/18/93/86/592189386.db2.gz FWFGDWLQGKOSHR-GUDFOSOFSA-N 0 3 242.344 0.897 20 0 BCADHN CC1(C(N)=O)CN(C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000886264348 592190021 /nfs/dbraw/zinc/19/00/21/592190021.db2.gz XGWNULRTPPBXQQ-WDEREUQCSA-N 0 3 238.331 0.751 20 0 BCADHN C[N@@H+]1CC[C@@H](C(=O)NCc2cncc([O-])c2)C1 ZINC000886275458 592195771 /nfs/dbraw/zinc/19/57/71/592195771.db2.gz ZPTNRESRJYIRSG-SNVBAGLBSA-N 0 3 235.287 0.355 20 0 BCADHN C[N@H+]1CC[C@@H](C(=O)NCc2cncc([O-])c2)C1 ZINC000886275458 592195773 /nfs/dbraw/zinc/19/57/73/592195773.db2.gz ZPTNRESRJYIRSG-SNVBAGLBSA-N 0 3 235.287 0.355 20 0 BCADHN C[C@H]1CC[C@H](NCc2nnc3c(=O)[nH]ccn23)C1 ZINC000886290698 592201650 /nfs/dbraw/zinc/20/16/50/592201650.db2.gz LQXCXBCBONGREA-IUCAKERBSA-N 0 3 247.302 0.696 20 0 BCADHN O[C@@H]1CCN(C[C@@H]2CC[C@H](C3CC3)O2)C[C@@H]1O ZINC000886310912 592205445 /nfs/dbraw/zinc/20/54/45/592205445.db2.gz YHWKEJGGYQBPMN-QNWHQSFQSA-N 0 3 241.331 0.372 20 0 BCADHN CC(=O)N1C[C@H]2CN(Cc3[nH]ncc3C)C[C@H]2C1 ZINC000886316849 592207651 /nfs/dbraw/zinc/20/76/51/592207651.db2.gz OOKJLKWAXLEQQX-TXEJJXNPSA-N 0 3 248.330 0.628 20 0 BCADHN Cc1occc1CNCCN1CCNC1=O ZINC000886323050 592208284 /nfs/dbraw/zinc/20/82/84/592208284.db2.gz DJKYRGLFOGABDS-UHFFFAOYSA-N 0 3 223.276 0.703 20 0 BCADHN Cn1cccc1CNCCN1CCNC1=O ZINC000886324347 592208384 /nfs/dbraw/zinc/20/83/84/592208384.db2.gz LAGOGVIOCQWOLT-UHFFFAOYSA-N 0 3 222.292 0.140 20 0 BCADHN O=C1CCC(=O)N1CCN1C[C@@H]2C[C@@H]2C1 ZINC000886330104 592210676 /nfs/dbraw/zinc/21/06/76/592210676.db2.gz NQJIBIMJDZALHU-DTORHVGOSA-N 0 3 208.261 0.087 20 0 BCADHN C[C@H]1CC[C@H](NCc2cn(CC(N)=O)nn2)C1 ZINC000886351484 592214903 /nfs/dbraw/zinc/21/49/03/592214903.db2.gz HHCWZNJJUXPCGW-IUCAKERBSA-N 0 3 237.307 0.042 20 0 BCADHN OC[C@H]1CN(CC2CC2)CCN1CC1CC1 ZINC000886373421 592221585 /nfs/dbraw/zinc/22/15/85/592221585.db2.gz SLVUUMYAZBTWPI-CYBMUJFWSA-N 0 3 224.348 0.785 20 0 BCADHN NC(=O)Cn1cc(CNC2CCC=CCC2)nn1 ZINC000886376583 592221764 /nfs/dbraw/zinc/22/17/64/592221764.db2.gz IMSGZSSSGWRSRJ-UHFFFAOYSA-N 0 3 249.318 0.352 20 0 BCADHN CSCCN1CCCn2nncc2C1 ZINC000886452901 592227204 /nfs/dbraw/zinc/22/72/04/592227204.db2.gz SZGDRHAQTTZDMC-UHFFFAOYSA-N 0 3 212.322 0.847 20 0 BCADHN c1nnn2c1CN(CCc1cn[nH]c1)CCC2 ZINC000886464819 592228512 /nfs/dbraw/zinc/22/85/12/592228512.db2.gz IQKUHENNJIGYNG-UHFFFAOYSA-N 0 3 232.291 0.450 20 0 BCADHN CN(C[C@](C)(O)C(F)F)[C@@H]1CCC[C@H]1O ZINC000886481838 592231496 /nfs/dbraw/zinc/23/14/96/592231496.db2.gz HVMOXNGCHDAXGR-MRTMQBJTSA-N 0 3 223.263 0.848 20 0 BCADHN CCNC(=O)CN[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886491412 592236608 /nfs/dbraw/zinc/23/66/08/592236608.db2.gz BXUMBESNIHULKQ-DTWKUNHWSA-N 0 3 228.292 0.054 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](NCC(=O)NC(C)C)C1 ZINC000886493312 592237292 /nfs/dbraw/zinc/23/72/92/592237292.db2.gz DMZATHPQCGCZQC-NXEZZACHSA-N 0 3 242.319 0.442 20 0 BCADHN COC(=O)[C@@H]1CC[C@H](N[C@@H]2CC(=O)N(C)C2)C1 ZINC000886521374 592243737 /nfs/dbraw/zinc/24/37/37/592243737.db2.gz ZMUJDDAZYSWECG-KXUCPTDWSA-N 0 3 240.303 0.148 20 0 BCADHN CC(C)(NC[C@@H](O)C1CC1)C(=O)N1CCCC1 ZINC000886521276 592244553 /nfs/dbraw/zinc/24/45/53/592244553.db2.gz XWROEBJUTMHNGR-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H](NC[C@@H](O)CN1CCCC1)c1ncco1 ZINC000886531131 592247895 /nfs/dbraw/zinc/24/78/95/592247895.db2.gz WYURISMHJUHGHL-WDEREUQCSA-N 0 3 239.319 0.782 20 0 BCADHN COC(=O)[C@H]1CC[C@H](NCC(=O)N(C)C)C1 ZINC000886581675 592268301 /nfs/dbraw/zinc/26/83/01/592268301.db2.gz ITQUWLQOJGDSCH-IUCAKERBSA-N 0 3 228.292 0.006 20 0 BCADHN COC(=O)[C@H]1CC[C@@H](N[C@@H]2COC[C@H]2OC)C1 ZINC000886630182 592282871 /nfs/dbraw/zinc/28/28/71/592282871.db2.gz WMCPPNYUYSXDBS-LNFKQOIKSA-N 0 3 243.303 0.332 20 0 BCADHN C[C@@H](NCc1nnc2c(=O)[nH]ccn12)C1CCC1 ZINC000886703566 592306866 /nfs/dbraw/zinc/30/68/66/592306866.db2.gz XWUDPNCXQZLSGO-MRVPVSSYSA-N 0 3 247.302 0.696 20 0 BCADHN CC(C)OC(=O)C1CCN(CCO)CC1 ZINC000886723767 592312115 /nfs/dbraw/zinc/31/21/15/592312115.db2.gz LNEKHNXEZJMFPI-UHFFFAOYSA-N 0 3 215.293 0.642 20 0 BCADHN CSCCN1CCC(O)(COCCO)CC1 ZINC000886738712 592313817 /nfs/dbraw/zinc/31/38/17/592313817.db2.gz BQJKUVRGHZNDPQ-UHFFFAOYSA-N 0 3 249.376 0.185 20 0 BCADHN CCN(CCNC(=O)c1csnn1)C1CC1 ZINC000076487838 592316492 /nfs/dbraw/zinc/31/64/92/592316492.db2.gz XIGGGYRDYWTFAZ-UHFFFAOYSA-N 0 3 240.332 0.752 20 0 BCADHN C[C@H](CO)CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886808767 592333609 /nfs/dbraw/zinc/33/36/09/592333609.db2.gz PBFQQJSXMRAWPU-DTWKUNHWSA-N 0 3 241.253 0.862 20 0 BCADHN C[S@](=O)CCN1CC[C@H]([C@H]2CCCO2)C1 ZINC000886816678 592340773 /nfs/dbraw/zinc/34/07/73/592340773.db2.gz XHJLYLYOJNIZBR-RWSFTLGLSA-N 0 3 231.361 0.866 20 0 BCADHN c1n[nH]nc1CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886819731 592342331 /nfs/dbraw/zinc/34/23/31/592342331.db2.gz WAZSXNOCOPHMKB-MWLCHTKSSA-N 0 3 222.292 0.806 20 0 BCADHN c1[nH]nnc1CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886819731 592342336 /nfs/dbraw/zinc/34/23/36/592342336.db2.gz WAZSXNOCOPHMKB-MWLCHTKSSA-N 0 3 222.292 0.806 20 0 BCADHN C(C1OCCO1)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886821307 592343809 /nfs/dbraw/zinc/34/38/09/592343809.db2.gz AYEAKXQFRORHPN-GHMZBOCLSA-N 0 3 227.304 0.860 20 0 BCADHN CON(C)C(=O)CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886821735 592344662 /nfs/dbraw/zinc/34/46/62/592344662.db2.gz GRIOMMUWHVHIBK-GHMZBOCLSA-N 0 3 242.319 0.507 20 0 BCADHN COC[C@@H](CN1CC[C@H](NC(=O)OC)C1)OC ZINC000886850466 592368192 /nfs/dbraw/zinc/36/81/92/592368192.db2.gz GVGLIZYQWBGEQH-VHSXEESVSA-N 0 3 246.307 0.078 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@@H]2CC[C@H](C)O2)C1 ZINC000886854681 592368722 /nfs/dbraw/zinc/36/87/22/592368722.db2.gz XVZBENRMPQPDNN-DCAQKATOSA-N 0 3 242.319 0.984 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC000886861758 592371052 /nfs/dbraw/zinc/37/10/52/592371052.db2.gz KOBOUMZRXWENBH-WDEREUQCSA-N 0 3 242.319 0.986 20 0 BCADHN COC[C@@H]1COCCN1C(=O)CN(C)C(C)C ZINC000886873667 592378080 /nfs/dbraw/zinc/37/80/80/592378080.db2.gz UXKJFZCAOTWMBZ-LLVKDONJSA-N 0 3 244.335 0.200 20 0 BCADHN C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220923394 592379797 /nfs/dbraw/zinc/37/97/97/592379797.db2.gz FKFZDMOMIFDCPH-OUAUKWLOSA-N 0 3 226.320 0.876 20 0 BCADHN C[C@H](C(=O)[O-])[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220923394 592379802 /nfs/dbraw/zinc/37/98/02/592379802.db2.gz FKFZDMOMIFDCPH-OUAUKWLOSA-N 0 3 226.320 0.876 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](CO)C1 ZINC000886880352 592380601 /nfs/dbraw/zinc/38/06/01/592380601.db2.gz MZRPHKOWVCVPAX-SRVKXCTJSA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1C[C@H](CO)C1)N(C)C ZINC000886881893 592382517 /nfs/dbraw/zinc/38/25/17/592382517.db2.gz VTXDDJQHMGKRRX-GUBZILKMSA-N 0 3 214.309 0.214 20 0 BCADHN CC[C@H](C(=O)N[C@H]1C[C@H](CO)C1)N(CC)CC ZINC000886894003 592389802 /nfs/dbraw/zinc/38/98/02/592389802.db2.gz RKLZGJNTGRLAHN-IJLUTSLNSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CO)C1 ZINC000886895768 592391141 /nfs/dbraw/zinc/39/11/41/592391141.db2.gz JRXMIMJBNXLNGB-IJLUTSLNSA-N 0 3 240.347 0.748 20 0 BCADHN COC[C@H](NCc1c[nH]cn1)[C@H]1CCCOC1 ZINC000886915832 592395441 /nfs/dbraw/zinc/39/54/41/592395441.db2.gz KQZRLEQNRUASHC-JQWIXIFHSA-N 0 3 239.319 0.941 20 0 BCADHN COC[C@H](NCc1cnc[nH]1)[C@H]1CCCOC1 ZINC000886915832 592395446 /nfs/dbraw/zinc/39/54/46/592395446.db2.gz KQZRLEQNRUASHC-JQWIXIFHSA-N 0 3 239.319 0.941 20 0 BCADHN CC(C)NC(=S)NC[C@@H]1CCCN1C ZINC000139766100 592432149 /nfs/dbraw/zinc/43/21/49/592432149.db2.gz WWKJZTXCQMGWKZ-VIFPVBQESA-N 0 3 215.366 0.953 20 0 BCADHN CC[C@H](C)[C@H](NCCC(=O)NC(C)C)C(N)=O ZINC000887059431 592433762 /nfs/dbraw/zinc/43/37/62/592433762.db2.gz VKLNQEAZJDYWIE-ONGXEEELSA-N 0 3 243.351 0.391 20 0 BCADHN CC[C@H](C)[C@H](NCCC(=O)OC(C)C)C(N)=O ZINC000887059163 592433976 /nfs/dbraw/zinc/43/39/76/592433976.db2.gz GYRHDPPBFFGLLZ-ONGXEEELSA-N 0 3 244.335 0.818 20 0 BCADHN COCC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000221678507 592436849 /nfs/dbraw/zinc/43/68/49/592436849.db2.gz TUQSSCZVGAOVDZ-VWYCJHECSA-N 0 3 228.336 0.855 20 0 BCADHN CC[C@@H](CNC1(C(=O)NC)CCOCC1)OC ZINC000887091398 592438845 /nfs/dbraw/zinc/43/88/45/592438845.db2.gz JDRYUQZNYHSFJO-JTQLQIEISA-N 0 3 244.335 0.296 20 0 BCADHN CN(CCCF)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000887136584 592451921 /nfs/dbraw/zinc/45/19/21/592451921.db2.gz XDVUUQYVQIAKLX-NEPJUHHUSA-N 0 3 249.326 0.834 20 0 BCADHN CN(Cc1cccc(=O)[nH]1)C(=O)[C@@H]1CCCN1C ZINC000887157978 592463868 /nfs/dbraw/zinc/46/38/68/592463868.db2.gz CLULBEXJACXUQY-NSHDSACASA-N 0 3 249.314 0.840 20 0 BCADHN CC[C@](C)(N)c1cn(C[C@@](C)(O)C(F)F)nn1 ZINC000887465505 592509565 /nfs/dbraw/zinc/50/95/65/592509565.db2.gz ZZQOFENJMRQLBO-VHSXEESVSA-N 0 3 248.277 0.878 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1CCO[C@@H](C)C1 ZINC000223067090 592515784 /nfs/dbraw/zinc/51/57/84/592515784.db2.gz ZJRGBDHWRAQTRY-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC(SC)CC1 ZINC000300817174 592520838 /nfs/dbraw/zinc/52/08/38/592520838.db2.gz IDPBBZZTARYNKG-VIFPVBQESA-N 0 3 232.349 0.314 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@@H]1CCOC[C@@H]1C ZINC000300866084 592522500 /nfs/dbraw/zinc/52/25/00/592522500.db2.gz OTUZWQZXCVYKJF-WDEREUQCSA-N 0 3 249.376 0.824 20 0 BCADHN COCC[C@@H](CO)NCc1cc(C)nn1C ZINC000300893415 592524747 /nfs/dbraw/zinc/52/47/47/592524747.db2.gz QAOUDLZYFVIVGT-JTQLQIEISA-N 0 3 227.308 0.216 20 0 BCADHN CCNC(=O)CN[C@H](C)C(C)(C)OC ZINC000301041653 592527061 /nfs/dbraw/zinc/52/70/61/592527061.db2.gz ZMLKRFVKLIGWAB-MRVPVSSYSA-N 0 3 202.298 0.526 20 0 BCADHN C[C@@H](CN1CCCCC1)NCc1cnn(C)n1 ZINC000302682088 592551240 /nfs/dbraw/zinc/55/12/40/592551240.db2.gz QHISYCNWLRRKLE-NSHDSACASA-N 0 3 237.351 0.779 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000887927305 592560153 /nfs/dbraw/zinc/56/01/53/592560153.db2.gz QPCGUJNNWWYPFV-AXFHLTTASA-N 0 3 223.320 0.742 20 0 BCADHN CN1C[C@@H]2CN(C(=O)c3ccn(C)n3)C[C@]2(C)C1 ZINC000887933079 592561170 /nfs/dbraw/zinc/56/11/70/592561170.db2.gz CEURLTCAUCZQFX-MFKMUULPSA-N 0 3 248.330 0.444 20 0 BCADHN CO[C@@H]1CC[C@H]1N(C)C(=O)C12CCN(CC1)C2 ZINC000889321419 592596433 /nfs/dbraw/zinc/59/64/33/592596433.db2.gz JXIYSFMNUHLIRQ-GHMZBOCLSA-N 0 3 238.331 0.718 20 0 BCADHN O=C(CCF)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889744178 592651959 /nfs/dbraw/zinc/65/19/59/592651959.db2.gz KSMWUCHLBSHNSF-QWRGUYRKSA-N 0 3 244.310 0.404 20 0 BCADHN O=C(C1CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889781429 592653814 /nfs/dbraw/zinc/65/38/14/592653814.db2.gz OOZABVVWFPXWAM-NEPJUHHUSA-N 0 3 238.331 0.454 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)NCCN1CCC1 ZINC000890065108 592675024 /nfs/dbraw/zinc/67/50/24/592675024.db2.gz ACVGBTDBFAVMME-LLVKDONJSA-N 0 3 240.351 0.086 20 0 BCADHN C[C@@H](C(=O)NCCN1CCC(C)(C)C1)N(C)C ZINC000890068393 592676630 /nfs/dbraw/zinc/67/66/30/592676630.db2.gz QCJPOZLLGJJBDL-NSHDSACASA-N 0 3 241.379 0.785 20 0 BCADHN CC[C@H](C(=O)NCc1cn(C)cn1)N(C)C ZINC000890104514 592679851 /nfs/dbraw/zinc/67/98/51/592679851.db2.gz YUNAASDZRKEBCX-SNVBAGLBSA-N 0 3 224.308 0.377 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@@H](C)C(C)(C)O ZINC000890463686 592701172 /nfs/dbraw/zinc/70/11/72/592701172.db2.gz XTUDKLVRHXGTLE-QMMMGPOBSA-N 0 3 225.292 0.536 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1nc2ccccc2[nH]1 ZINC000110538101 592707354 /nfs/dbraw/zinc/70/73/54/592707354.db2.gz DLCMOLQDIFLSGS-MRVPVSSYSA-N 0 3 248.286 0.865 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@@H](C)SC ZINC000122306213 592712013 /nfs/dbraw/zinc/71/20/13/592712013.db2.gz PURZYBZMHWTJAI-SFYZADRCSA-N 0 3 220.338 0.218 20 0 BCADHN C[C@@H](N)c1cn(CCO[C@@H]2CCCCO2)nn1 ZINC000124320770 592717766 /nfs/dbraw/zinc/71/77/66/592717766.db2.gz DXWWPVLWHBXIQG-MWLCHTKSSA-N 0 3 240.307 0.841 20 0 BCADHN C[C@@H](N)c1cn(Cc2ccc(CO)cc2)nn1 ZINC000124432047 592719111 /nfs/dbraw/zinc/71/91/11/592719111.db2.gz POTFBDQSLRSDDE-SECBINFHSA-N 0 3 232.287 0.838 20 0 BCADHN CN1CCC[C@H]1CC[N@H+](C)CCC(=O)[O-] ZINC000692651750 598090354 /nfs/dbraw/zinc/09/03/54/598090354.db2.gz KAQDJQYBGDAUDB-JTQLQIEISA-N 0 3 214.309 0.877 20 0 BCADHN CN1CCC[C@H]1CC[N@@H+](C)CCC(=O)[O-] ZINC000692651750 598090357 /nfs/dbraw/zinc/09/03/57/598090357.db2.gz KAQDJQYBGDAUDB-JTQLQIEISA-N 0 3 214.309 0.877 20 0 BCADHN C/C(=C/C[N@H+]1CC[C@@H](CN(C)C)C1)C(=O)[O-] ZINC000708459422 601167736 /nfs/dbraw/zinc/16/77/36/601167736.db2.gz MXQRORAQTXQQSJ-FGUAACIASA-N 0 3 226.320 0.901 20 0 BCADHN C/C(=C/C[N@@H+]1CC[C@@H](CN(C)C)C1)C(=O)[O-] ZINC000708459422 601167738 /nfs/dbraw/zinc/16/77/38/601167738.db2.gz MXQRORAQTXQQSJ-FGUAACIASA-N 0 3 226.320 0.901 20 0 BCADHN CN1CCC[C@H]2C[N@H+](CCC(=O)[O-])CC[C@H]21 ZINC000227340058 604363660 /nfs/dbraw/zinc/36/36/60/604363660.db2.gz NLZNRMGXTCSDIJ-WDEREUQCSA-N 0 3 226.320 0.877 20 0 BCADHN CN1CCC[C@H]2C[N@@H+](CCC(=O)[O-])CC[C@H]21 ZINC000227340058 604363663 /nfs/dbraw/zinc/36/36/63/604363663.db2.gz NLZNRMGXTCSDIJ-WDEREUQCSA-N 0 3 226.320 0.877 20 0 BCADHN CN1CCC[C@@H]2C[N@H+](CCC(=O)[O-])CC[C@@H]21 ZINC000088091273 604361483 /nfs/dbraw/zinc/36/14/83/604361483.db2.gz NLZNRMGXTCSDIJ-MNOVXSKESA-N 0 3 226.320 0.877 20 0 BCADHN CN1CCC[C@@H]2C[N@@H+](CCC(=O)[O-])CC[C@@H]21 ZINC000088091273 604361487 /nfs/dbraw/zinc/36/14/87/604361487.db2.gz NLZNRMGXTCSDIJ-MNOVXSKESA-N 0 3 226.320 0.877 20 0 BCADHN COC[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC000095245376 606660321 /nfs/dbraw/zinc/66/03/21/606660321.db2.gz OMPPBMMXTUYNNW-SECBINFHSA-N 0 3 247.302 0.991 20 0 BCADHN COC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC000095245376 606660322 /nfs/dbraw/zinc/66/03/22/606660322.db2.gz OMPPBMMXTUYNNW-SECBINFHSA-N 0 3 247.302 0.991 20 0 BCADHN C[C@@H](O)CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000095225584 607151284 /nfs/dbraw/zinc/15/12/84/607151284.db2.gz OISGNWPNVGLDQL-SECBINFHSA-N 0 3 247.302 0.727 20 0 BCADHN C[C@@H](O)CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000095225584 607151286 /nfs/dbraw/zinc/15/12/86/607151286.db2.gz OISGNWPNVGLDQL-SECBINFHSA-N 0 3 247.302 0.727 20 0 BCADHN C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000095246794 608567573 /nfs/dbraw/zinc/56/75/73/608567573.db2.gz PUUPVKQQUDPXEX-MRVPVSSYSA-N 0 3 233.275 0.337 20 0 BCADHN C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000095246794 608567574 /nfs/dbraw/zinc/56/75/74/608567574.db2.gz PUUPVKQQUDPXEX-MRVPVSSYSA-N 0 3 233.275 0.337 20 0 BCADHN CCC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCN(C)C1 ZINC000909345748 634435156 /nfs/dbraw/zinc/43/51/56/634435156.db2.gz DUWUTPIQGFHWAK-QWRGUYRKSA-N 0 3 238.331 0.908 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@@H]1COCC1(C)C ZINC000313024217 634438726 /nfs/dbraw/zinc/43/87/26/634438726.db2.gz FCGUXFAFRFFTJE-VHSXEESVSA-N 0 3 228.336 0.868 20 0 BCADHN CCCCCCN(C)CC(=O)NCCCO ZINC000162807842 634480502 /nfs/dbraw/zinc/48/05/02/634480502.db2.gz TZEIDAJJXGJTDC-UHFFFAOYSA-N 0 3 230.352 0.997 20 0 BCADHN COCC(COC)NC[C@@H](O)c1ccccc1 ZINC000313546085 634484136 /nfs/dbraw/zinc/48/41/36/634484136.db2.gz FIJLNPKUJQPKPX-CYBMUJFWSA-N 0 3 239.315 0.971 20 0 BCADHN CO[C@@H]1CN(C[C@H](O)c2ccccc2)C[C@H]1O ZINC000313547712 634484453 /nfs/dbraw/zinc/48/44/53/634484453.db2.gz QQBBGGULIZGHGT-YNEHKIRRSA-N 0 3 237.299 0.412 20 0 BCADHN C[C@@H]1CCCCN1C(=O)[C@@H]1CNCCN1C ZINC000257753329 634492169 /nfs/dbraw/zinc/49/21/69/634492169.db2.gz NSCQZBAZADYJIB-MNOVXSKESA-N 0 3 225.336 0.291 20 0 BCADHN CN1CCNC[C@@H]1C(=O)N1CCCCCC1 ZINC000257754804 634492796 /nfs/dbraw/zinc/49/27/96/634492796.db2.gz SGVMVRGFLNJOGQ-LLVKDONJSA-N 0 3 225.336 0.293 20 0 BCADHN Cc1nc(CCNCc2nnc(C)s2)n[nH]1 ZINC000893460240 634512224 /nfs/dbraw/zinc/51/22/24/634512224.db2.gz FZCNHZFVRSHVJV-UHFFFAOYSA-N 0 3 238.320 0.605 20 0 BCADHN CCCNC(=O)CCNCc1c[nH]cn1 ZINC000054765286 634544329 /nfs/dbraw/zinc/54/43/29/634544329.db2.gz HJKAJJZPWNYSKQ-UHFFFAOYSA-N 0 3 210.281 0.416 20 0 BCADHN CCCNC(=O)CCNCc1cnc[nH]1 ZINC000054765286 634544335 /nfs/dbraw/zinc/54/43/35/634544335.db2.gz HJKAJJZPWNYSKQ-UHFFFAOYSA-N 0 3 210.281 0.416 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@@H]3CCSC3)[C@@H]2C1 ZINC000644818431 634547367 /nfs/dbraw/zinc/54/73/67/634547367.db2.gz MEOOMLDHTOHMNG-HBNTYKKESA-N 0 3 240.372 0.902 20 0 BCADHN CC(=O)N[C@@H]1CCN(CCOC2CCC2)C1 ZINC001009802632 634578268 /nfs/dbraw/zinc/57/82/68/634578268.db2.gz KMBBYPAQNGLZBZ-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@@H](C)C(=O)N1CCCN(C[C@H](C)O)CC1 ZINC000980727713 635264885 /nfs/dbraw/zinc/26/48/85/635264885.db2.gz RMTSLTDOIXPVEG-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1Cc1cccc2c1OCC2 ZINC000893681253 635445347 /nfs/dbraw/zinc/44/53/47/635445347.db2.gz GVHKXZCYHNUXKS-QWHCGFSZSA-N 0 3 249.310 0.549 20 0 BCADHN CCCS(=O)(=O)CCN[C@]1(C)CCO[C@@H]1C ZINC000233255660 635529577 /nfs/dbraw/zinc/52/95/77/635529577.db2.gz AEVGNFJTSKKXDJ-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN Cc1cc(N(C)[C@H]2CCOC2)nc(N)n1 ZINC000096523320 635538576 /nfs/dbraw/zinc/53/85/76/635538576.db2.gz GAYTZXVSLFFDDF-QMMMGPOBSA-N 0 3 208.265 0.592 20 0 BCADHN C[C@@H](O)CNCc1cc(Br)nn1C ZINC000308258910 631230460 /nfs/dbraw/zinc/23/04/60/631230460.db2.gz MLFLZOHCHIGMLZ-ZCFIWIBFSA-N 0 3 248.124 0.653 20 0 BCADHN C[C@H](O)CN(CCO)Cc1ccsc1 ZINC000308399332 631256662 /nfs/dbraw/zinc/25/66/62/631256662.db2.gz CHNGCHIQXNTDQM-VIFPVBQESA-N 0 3 215.318 0.923 20 0 BCADHN COc1ncncc1CNCCCn1ccnc1 ZINC000647166517 631243089 /nfs/dbraw/zinc/24/30/89/631243089.db2.gz SGWHQJVTPOXVHI-UHFFFAOYSA-N 0 3 247.302 0.862 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](N)CC ZINC000129566700 631249380 /nfs/dbraw/zinc/24/93/80/631249380.db2.gz KNUYNTOHCWEVOG-HRDYMLBCSA-N 0 3 229.324 0.143 20 0 BCADHN NC(=O)[C@@H]1CCN(Cc2cnn(C3CCC3)c2)C1 ZINC000891439858 631284402 /nfs/dbraw/zinc/28/44/02/631284402.db2.gz FNHSCHZHWFXIDD-LLVKDONJSA-N 0 3 248.330 0.915 20 0 BCADHN Cn1cc(CN2CC[C@H](C(N)=O)C2)c(C2CC2)n1 ZINC000891440945 631288185 /nfs/dbraw/zinc/28/81/85/631288185.db2.gz QDLAHYMZLVZZGL-JTQLQIEISA-N 0 3 248.330 0.605 20 0 BCADHN Cn1cnn(CC[C@H]2CCCCN2C)c1=O ZINC000234322819 631311018 /nfs/dbraw/zinc/31/10/18/631311018.db2.gz RFWIZVROVZDFDG-SNVBAGLBSA-N 0 3 224.308 0.456 20 0 BCADHN C[C@@H](O)CN(CCO)Cc1ccsc1 ZINC000308399331 631315458 /nfs/dbraw/zinc/31/54/58/631315458.db2.gz CHNGCHIQXNTDQM-SECBINFHSA-N 0 3 215.318 0.923 20 0 BCADHN CCCNC(=O)CN[C@]12C[C@H]1COC21CCC1 ZINC000933388254 631350548 /nfs/dbraw/zinc/35/05/48/631350548.db2.gz YLAKHTXIRLOCDN-GXFFZTMASA-N 0 3 238.331 0.814 20 0 BCADHN C[C@@H](CO)CN(C)Cc1cccc(=O)[nH]1 ZINC000933398027 631359324 /nfs/dbraw/zinc/35/93/24/631359324.db2.gz JHKSJMOHEZQNRK-SECBINFHSA-N 0 3 210.277 0.847 20 0 BCADHN NCC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000161019600 631362879 /nfs/dbraw/zinc/36/28/79/631362879.db2.gz HEXIETGMHLLYPG-IMTBSYHQSA-N 0 3 226.226 0.896 20 0 BCADHN C[C@H](O)COC(=O)C1CCCN(C2CC2)C1=O ZINC000924052304 631417372 /nfs/dbraw/zinc/41/73/72/631417372.db2.gz CWRXLIJRMJWNKB-WPRPVWTQSA-N 0 3 241.287 0.311 20 0 BCADHN Cc1nccn1CCN1CC(O)(C(C)C)C1 ZINC000084376938 631441033 /nfs/dbraw/zinc/44/10/33/631441033.db2.gz GQQNOKFBWHGRTR-UHFFFAOYSA-N 0 3 223.320 0.894 20 0 BCADHN Cn1ccc(NC(=O)[C@@H](N)CC2CC2)n1 ZINC000308791855 631459194 /nfs/dbraw/zinc/45/91/94/631459194.db2.gz BFXAWVKTAVXTIT-QMMMGPOBSA-N 0 3 208.265 0.486 20 0 BCADHN Cn1cnn(CC[C@@H]2CCCCN2C)c1=O ZINC000234375567 631473938 /nfs/dbraw/zinc/47/39/38/631473938.db2.gz RFWIZVROVZDFDG-JTQLQIEISA-N 0 3 224.308 0.456 20 0 BCADHN COCC[C@H](N)C(=O)NCC(C1CC1)C1CC1 ZINC000088457066 631490112 /nfs/dbraw/zinc/49/01/12/631490112.db2.gz JTYZMPRRVJKSEQ-LBPRGKRZSA-N 0 3 240.347 0.903 20 0 BCADHN CNC(=O)CCN[C@@H](C)c1ccnn1C ZINC000234409685 631511002 /nfs/dbraw/zinc/51/10/02/631511002.db2.gz QEKUKDCNJNGCKL-QMMMGPOBSA-N 0 3 210.281 0.207 20 0 BCADHN CCN(CCC(=O)NC)Cc1cn(C)nc1C ZINC000933862596 631534228 /nfs/dbraw/zinc/53/42/28/631534228.db2.gz KNELNPWUHSEQLF-UHFFFAOYSA-N 0 3 238.335 0.687 20 0 BCADHN c1cn(CCN2CCC[C@H]2C2OCCO2)cn1 ZINC000933899723 631547092 /nfs/dbraw/zinc/54/70/92/631547092.db2.gz DQVCZFGWSLXHDH-NSHDSACASA-N 0 3 237.303 0.720 20 0 BCADHN OCCCN1CCC[C@H]1C1OCCO1 ZINC000933902627 631548176 /nfs/dbraw/zinc/54/81/76/631548176.db2.gz CTEKBROUIROTND-VIFPVBQESA-N 0 3 201.266 0.206 20 0 BCADHN Cc1nn(C(C)C)c(C)c1CNC[C@@H](O)CO ZINC000893897800 635634434 /nfs/dbraw/zinc/63/44/34/635634434.db2.gz YYAPRQCAQKDJFM-LLVKDONJSA-N 0 3 241.335 0.524 20 0 BCADHN Cc1cc(N)nc(NCc2cncn2C)n1 ZINC000893899666 635634848 /nfs/dbraw/zinc/63/48/48/635634848.db2.gz GFRWXLZEPXCPMP-UHFFFAOYSA-N 0 3 218.264 0.713 20 0 BCADHN CC(C)CC[C@H](O)CN1CC[C@H]1CO ZINC000934014066 631595775 /nfs/dbraw/zinc/59/57/75/631595775.db2.gz KEJLOCQRSASJCD-QWRGUYRKSA-N 0 3 201.310 0.850 20 0 BCADHN CC(C)OCC[C@@H](O)CN1CC[C@@H]1CO ZINC000934015028 631606522 /nfs/dbraw/zinc/60/65/22/631606522.db2.gz QQDKSTQMHRZONX-GHMZBOCLSA-N 0 3 217.309 0.229 20 0 BCADHN OC[C@H]1CCN1C[C@H](O)Cc1ccc(F)cc1 ZINC000934019912 631620127 /nfs/dbraw/zinc/62/01/27/631620127.db2.gz SRWJAPNYZMARMB-CHWSQXEVSA-N 0 3 239.290 0.796 20 0 BCADHN CC1(C)OC[C@H](CN2CC[C@@H]2CO)O1 ZINC000934020204 631621930 /nfs/dbraw/zinc/62/19/30/631621930.db2.gz YDHIKTASBBGSHJ-BDAKNGLRSA-N 0 3 201.266 0.205 20 0 BCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000934052328 631624502 /nfs/dbraw/zinc/62/45/02/631624502.db2.gz ABAYRMGXGDELSQ-UWVGGRQHSA-N 0 3 242.319 0.001 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)O ZINC000934030134 631628630 /nfs/dbraw/zinc/62/86/30/631628630.db2.gz ANQCXLYMLJEGRQ-WDEREUQCSA-N 0 3 228.336 0.698 20 0 BCADHN Cc1cc(NC(=O)CCN2CC[C@@H]2CO)no1 ZINC000934028968 631629149 /nfs/dbraw/zinc/62/91/49/631629149.db2.gz QMBVTPRDQCMYCI-SECBINFHSA-N 0 3 239.275 0.378 20 0 BCADHN CN1CCNC[C@H]1C(=O)NCc1cccs1 ZINC000258875325 631657019 /nfs/dbraw/zinc/65/70/19/631657019.db2.gz GJBMXBSJKDPMFM-JTQLQIEISA-N 0 3 239.344 0.268 20 0 BCADHN COCC[C@H](N)C(=O)NCC1(C(C)C)CC1 ZINC000234663675 631658014 /nfs/dbraw/zinc/65/80/14/631658014.db2.gz DYSWADXNBUOPMA-JTQLQIEISA-N 0 3 228.336 0.903 20 0 BCADHN COC[C@@H](C)NCCS(=O)(=O)C(C)C ZINC000234683820 631660676 /nfs/dbraw/zinc/66/06/76/631660676.db2.gz XPWUAMUDAIWATM-SECBINFHSA-N 0 3 223.338 0.434 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCc1c[nH]cn1 ZINC000308815184 631665223 /nfs/dbraw/zinc/66/52/23/631665223.db2.gz IHYNZMOAYMIXGF-SECBINFHSA-N 0 3 208.265 0.153 20 0 BCADHN COC[C@@H](O)CN1CC[C@@H](C(F)(F)F)C1 ZINC000308804387 631667487 /nfs/dbraw/zinc/66/74/87/631667487.db2.gz NXZYTJUIKLMCEZ-SFYZADRCSA-N 0 3 227.226 0.878 20 0 BCADHN CO[C@@H]1CC[C@H]1N(C)CCNC(=O)NC(C)C ZINC000934107363 631677542 /nfs/dbraw/zinc/67/75/42/631677542.db2.gz MCJXNOLNBYLLTH-GHMZBOCLSA-N 0 3 243.351 0.803 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCc1cc[nH]n1 ZINC000308847392 631693387 /nfs/dbraw/zinc/69/33/87/631693387.db2.gz LTBJNVWIDUYIRL-VIFPVBQESA-N 0 3 208.265 0.153 20 0 BCADHN COCC(C)(C)NC(=O)[C@H](N)CC1CC1 ZINC000308926463 631745314 /nfs/dbraw/zinc/74/53/14/631745314.db2.gz ARTHQJPKPQHHFO-SECBINFHSA-N 0 3 214.309 0.655 20 0 BCADHN CC(=O)N1CC[C@]2(C1)CN(CC(C)C)CCO2 ZINC000972199484 631867501 /nfs/dbraw/zinc/86/75/01/631867501.db2.gz BOVRUHJGBGOUEM-CYBMUJFWSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](CC(N)=O)NCc1ccc(F)nc1 ZINC000308826457 631870871 /nfs/dbraw/zinc/87/08/71/631870871.db2.gz DUHSAZCQFBNRGO-SSDOTTSWSA-N 0 3 211.240 0.574 20 0 BCADHN C[C@H](O)[C@@H](O)CN1CCOC[C@@]1(C)C1CC1 ZINC000934479150 631874032 /nfs/dbraw/zinc/87/40/32/631874032.db2.gz PRCUIIHMHQLCHO-DLOVCJGASA-N 0 3 229.320 0.229 20 0 BCADHN Cc1nonc1CN[C@H]1CN(C)C[C@H]1C ZINC000309089500 631874997 /nfs/dbraw/zinc/87/49/97/631874997.db2.gz ANMYXUMDNUTGBX-XCBNKYQSSA-N 0 3 210.281 0.418 20 0 BCADHN CC[C@@H]1CN(C(=O)C2(N)CC2)CCS1 ZINC000158360110 631878400 /nfs/dbraw/zinc/87/84/00/631878400.db2.gz XUCXKBXMDHCYPX-MRVPVSSYSA-N 0 3 214.334 0.832 20 0 BCADHN CC(=O)[C@@H]1CCCN(C[C@@H]2CCC(=O)N2)C1 ZINC000309145480 631908670 /nfs/dbraw/zinc/90/86/70/631908670.db2.gz IBQTVPKMLAMMRA-MNOVXSKESA-N 0 3 224.304 0.566 20 0 BCADHN CO[C@@H]1CC[C@H](N2CC[C@H](O)[C@H](F)C2)C1 ZINC000934564666 631929978 /nfs/dbraw/zinc/92/99/78/631929978.db2.gz IXRIBQXNMCZQDB-ZDCRXTMVSA-N 0 3 217.284 0.959 20 0 BCADHN Cc1nccn1CCNCc1cnccn1 ZINC000309198569 631946202 /nfs/dbraw/zinc/94/62/02/631946202.db2.gz KUCRWQJQDYMDMP-UHFFFAOYSA-N 0 3 217.276 0.771 20 0 BCADHN CC[C@H](COC)NC(=O)[C@H](N)CC1CC1 ZINC000308858029 631964036 /nfs/dbraw/zinc/96/40/36/631964036.db2.gz OPBULNJNXHHPNS-NXEZZACHSA-N 0 3 214.309 0.655 20 0 BCADHN Cn1ncc(CNCC2(C)CCOCC2)n1 ZINC000309262801 631980110 /nfs/dbraw/zinc/98/01/10/631980110.db2.gz PLDGODDDQGJWBE-UHFFFAOYSA-N 0 3 224.308 0.721 20 0 BCADHN CC(C)C[C@@H](O)CNC(=O)[C@@H](N)CC(F)F ZINC000309335525 632003871 /nfs/dbraw/zinc/00/38/71/632003871.db2.gz UFDSXCYXZSMSFQ-SFYZADRCSA-N 0 3 238.278 0.492 20 0 BCADHN CC(C)C[C@H](O)CNC(=O)[C@H](N)CC(F)F ZINC000309335522 632004248 /nfs/dbraw/zinc/00/42/48/632004248.db2.gz UFDSXCYXZSMSFQ-JGVFFNPUSA-N 0 3 238.278 0.492 20 0 BCADHN Cc1cc(N)nc(NC[C@H](O)C2CC2)n1 ZINC000892319657 632049018 /nfs/dbraw/zinc/04/90/18/632049018.db2.gz OGXRFHZDVHSWOG-QMMMGPOBSA-N 0 3 208.265 0.550 20 0 BCADHN C[C@@H]1CN(C(=O)CN(C)CC2CC2)CCO1 ZINC000052106342 632074173 /nfs/dbraw/zinc/07/41/73/632074173.db2.gz MVIQWRKQHKLQAD-SNVBAGLBSA-N 0 3 226.320 0.576 20 0 BCADHN COC[C@H](C)CNC(=O)[C@H](N)CC1CC1 ZINC000308882487 632078189 /nfs/dbraw/zinc/07/81/89/632078189.db2.gz VYASSFVFBZOQAU-PSASIEDQSA-N 0 3 214.309 0.513 20 0 BCADHN CC[C@H](O)[C@H]1CCCCN1CC(=O)N(C)OC ZINC000091580176 632082683 /nfs/dbraw/zinc/08/26/83/632082683.db2.gz QVAXYEQXCJUSTQ-MNOVXSKESA-N 0 3 244.335 0.632 20 0 BCADHN CC[C@@H](CN[C@@H](C)c1cnnn1C)OC ZINC000926461401 632085105 /nfs/dbraw/zinc/08/51/05/632085105.db2.gz NRZHBSGHVKEAIC-IUCAKERBSA-N 0 3 212.297 0.891 20 0 BCADHN O=C1NC2(CCC2)C(=O)N1[C@H]1CCN(C2CC2)C1 ZINC000924884297 635712952 /nfs/dbraw/zinc/71/29/52/635712952.db2.gz BVAVNVNDBMDTDA-JTQLQIEISA-N 0 3 249.314 0.698 20 0 BCADHN O=C1N[C@H](CF)C(=O)N1[C@@H]1CCN(C2CC2)C1 ZINC000924886335 635718488 /nfs/dbraw/zinc/71/84/88/635718488.db2.gz LXJYMHOEPODTKT-RKDXNWHRSA-N 0 3 241.266 0.113 20 0 BCADHN CC[C@@H]1C[C@H]1CN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924906446 635760530 /nfs/dbraw/zinc/76/05/30/635760530.db2.gz LZQDWOMJMCSXHP-KXUCPTDWSA-N 0 3 239.319 0.515 20 0 BCADHN CC1(C)CN(CCNCc2c[nH]cn2)CCO1 ZINC000894241162 635765041 /nfs/dbraw/zinc/76/50/41/635765041.db2.gz HVFOYKIDZPNHLC-UHFFFAOYSA-N 0 3 238.335 0.610 20 0 BCADHN CC(=O)N[C@H]1C[C@H](CNCc2cnoc2C)C1 ZINC000982945470 635770510 /nfs/dbraw/zinc/77/05/10/635770510.db2.gz BOFOXIMRVXWMBB-UMSPYCQHSA-N 0 3 237.303 0.987 20 0 BCADHN COC(=O)/C(C)=C/CNC(=O)[C@H]1CCCN1C ZINC000927973455 635778006 /nfs/dbraw/zinc/77/80/06/635778006.db2.gz DNEMKXGQPDJRQB-OLKPEBQYSA-N 0 3 240.303 0.316 20 0 BCADHN COc1ccc(N)c(NC(=O)[C@H](C)N)c1 ZINC000309502602 632416595 /nfs/dbraw/zinc/41/65/95/632416595.db2.gz VEALVHFGOFDTKU-LURJTMIESA-N 0 3 209.249 0.563 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1CO ZINC000935104322 632449221 /nfs/dbraw/zinc/44/92/21/632449221.db2.gz ZWOZOJSSXNDCEA-VXGBXAGGSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H](NCCN1CCC(O)CC1)c1ncc[nH]1 ZINC000926539871 632462319 /nfs/dbraw/zinc/46/23/19/632462319.db2.gz KWJZBVBXTPYCOM-SNVBAGLBSA-N 0 3 238.335 0.517 20 0 BCADHN C[C@H](C[NH3+])C[N-]C(=O)C(F)(F)C(F)F ZINC000228301470 632466775 /nfs/dbraw/zinc/46/67/75/632466775.db2.gz ZKUINCCGJNMPIF-SCSAIBSYSA-N 0 3 216.178 0.598 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H]1CCS[C@H]1C ZINC000308930544 632491491 /nfs/dbraw/zinc/49/14/91/632491491.db2.gz LYPSYLQAKRKTPE-XHNCKOQMSA-N 0 3 232.349 0.360 20 0 BCADHN CC[C@H](CO)NCC(=O)Nc1cc(C)on1 ZINC000309557632 632492945 /nfs/dbraw/zinc/49/29/45/632492945.db2.gz KCARTRPHXMXIMN-MRVPVSSYSA-N 0 3 227.264 0.282 20 0 BCADHN CC(C)OC1CC(NCc2cnnn2C)C1 ZINC000309556596 632495694 /nfs/dbraw/zinc/49/56/94/632495694.db2.gz JWVKKDBVLJMINX-UHFFFAOYSA-N 0 3 224.308 0.861 20 0 BCADHN COCC[C@H](N)C(=O)NCCCOC(C)C ZINC000052809778 632497655 /nfs/dbraw/zinc/49/76/55/632497655.db2.gz YJSRMAPZCCMJSE-JTQLQIEISA-N 0 3 232.324 0.282 20 0 BCADHN COCC[C@H](N)C(=O)N(C)C[C@@H]1CCCCO1 ZINC000052810066 632497766 /nfs/dbraw/zinc/49/77/66/632497766.db2.gz HTZXWDCWSFXUNC-QWRGUYRKSA-N 0 3 244.335 0.378 20 0 BCADHN CCN(C[C@H]1CCCO1)C(=O)[C@H](N)CCOC ZINC000052810069 632498196 /nfs/dbraw/zinc/49/81/96/632498196.db2.gz KGNXJADEQROCOY-GHMZBOCLSA-N 0 3 244.335 0.378 20 0 BCADHN Cc1cnc(CCN[C@H](C)c2cnnn2C)cn1 ZINC000926557312 632520374 /nfs/dbraw/zinc/52/03/74/632520374.db2.gz BAKPPDIJRJENRO-SNVBAGLBSA-N 0 3 246.318 0.807 20 0 BCADHN C[C@@H](NCC[S@@](C)=O)c1ccnn1C ZINC000235198603 632523507 /nfs/dbraw/zinc/52/35/07/632523507.db2.gz LAHKVVOKNSTNSF-XLKFXECMSA-N 0 3 215.322 0.449 20 0 BCADHN C[C@@H](CNC(=O)c1cnsn1)N1CCCC1 ZINC000053025226 632544275 /nfs/dbraw/zinc/54/42/75/632544275.db2.gz VAFHSKZRNRAKNN-QMMMGPOBSA-N 0 3 240.332 0.752 20 0 BCADHN CS(=O)(=O)CCOCCNCC1(F)CC1 ZINC000309085041 632635187 /nfs/dbraw/zinc/63/51/87/632635187.db2.gz WFPSHELBBBSSSQ-UHFFFAOYSA-N 0 3 239.312 0.139 20 0 BCADHN C[C@@H](O)CN1C[C@H](NC(=O)C2CC2)C(C)(C)C1 ZINC000972726477 632649063 /nfs/dbraw/zinc/64/90/63/632649063.db2.gz XHGIHNIQQLYMGN-KOLCDFICSA-N 0 3 240.347 0.604 20 0 BCADHN CC1(C)CN(CCO)C[C@H]1NC(=O)C1CCC1 ZINC000972730100 632649761 /nfs/dbraw/zinc/64/97/61/632649761.db2.gz YQBLKESCOFKEPU-LLVKDONJSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H]1CN(C(=O)N[C@@H]2CCOC2)[C@H](C)CN1 ZINC000087314042 632652650 /nfs/dbraw/zinc/65/26/50/632652650.db2.gz WNGIHFYDSJDFGO-OPRDCNLKSA-N 0 3 227.308 0.167 20 0 BCADHN Cc1nccc(CN[C@@H](CO)C2CC2)n1 ZINC000309182513 632692720 /nfs/dbraw/zinc/69/27/20/632692720.db2.gz OAUCWOLBZUSKOO-NSHDSACASA-N 0 3 207.277 0.646 20 0 BCADHN CCOC(=O)/C=C\CN(C)C[C@@H](C)C(=O)NC ZINC000310055669 632698134 /nfs/dbraw/zinc/69/81/34/632698134.db2.gz FYWYWJPFOMCKQZ-JYESYGNLSA-N 0 3 242.319 0.420 20 0 BCADHN COCCOCCCCNCc1cn(C)cn1 ZINC000310125514 632702496 /nfs/dbraw/zinc/70/24/96/632702496.db2.gz JANQLMZGJBKEHF-UHFFFAOYSA-N 0 3 241.335 0.953 20 0 BCADHN C[S@](=O)CCCNc1ccncc1CO ZINC000892448785 632722791 /nfs/dbraw/zinc/72/27/91/632722791.db2.gz DIKOQEWPMZPOKW-HNNXBMFYSA-N 0 3 228.317 0.176 20 0 BCADHN CC(C)[C@@](C)(O)CNc1ccncc1CO ZINC000892470767 632735661 /nfs/dbraw/zinc/73/56/61/632735661.db2.gz NSHKOGFSTPVURZ-LBPRGKRZSA-N 0 3 224.304 0.815 20 0 BCADHN C[C@H](NCCCc1ncn(C)n1)c1cn(C)cn1 ZINC000926630332 632742356 /nfs/dbraw/zinc/74/23/56/632742356.db2.gz GJONXIYALJOXNL-JTQLQIEISA-N 0 3 248.334 0.832 20 0 BCADHN C[C@H]1[C@H](N(C)C)CCN1c1ncc(C=O)cn1 ZINC000310463353 632744568 /nfs/dbraw/zinc/74/45/68/632744568.db2.gz FUSUCTJKOXRYRK-GXSJLCMTSA-N 0 3 234.303 0.818 20 0 BCADHN Cc1noc(CCNC(=O)[C@@H](N)CC2CC2)n1 ZINC000310488193 632749094 /nfs/dbraw/zinc/74/90/94/632749094.db2.gz HCWULGSJQUEXLI-VIFPVBQESA-N 0 3 238.291 0.164 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H](C)c1cc[nH]c(=O)c1 ZINC000926637191 632755420 /nfs/dbraw/zinc/75/54/20/632755420.db2.gz KAANYTRSRZRLSG-JMJZKYOTSA-N 0 3 238.287 0.852 20 0 BCADHN CCCNC(=O)CNCc1[nH]ncc1C ZINC000289685021 632802827 /nfs/dbraw/zinc/80/28/27/632802827.db2.gz AZEHHUMMWNIKBL-UHFFFAOYSA-N 0 3 210.281 0.334 20 0 BCADHN Cc1ccc(CNC[C@](C)(O)CO)cn1 ZINC000162264532 632837266 /nfs/dbraw/zinc/83/72/66/632837266.db2.gz ZCJGBQTTWLJDLW-NSHDSACASA-N 0 3 210.277 0.223 20 0 BCADHN Cc1cc(N2CC[C@@](C)(C(N)=O)C2)nc(N)n1 ZINC000235851599 632839257 /nfs/dbraw/zinc/83/92/57/632839257.db2.gz XRDGHRSKZGAYQQ-LLVKDONJSA-N 0 3 235.291 0.069 20 0 BCADHN Cc1cc(NC[C@@H]2CC[C@@H](O)C2)nc(N)n1 ZINC000235903668 632849313 /nfs/dbraw/zinc/84/93/13/632849313.db2.gz RQMNZCOKRACSPW-RKDXNWHRSA-N 0 3 222.292 0.940 20 0 BCADHN COCC[C@@H](N)C(=O)N(C)[C@@H](C)C1CC1 ZINC000052791517 632896274 /nfs/dbraw/zinc/89/62/74/632896274.db2.gz KRRPAKBTXINOGS-WCBMZHEXSA-N 0 3 214.309 0.607 20 0 BCADHN Cc1cc(NCc2cncn2C)nc(N)n1 ZINC000309266627 632865264 /nfs/dbraw/zinc/86/52/64/632865264.db2.gz JQJIWLOLTIPDFH-UHFFFAOYSA-N 0 3 218.264 0.713 20 0 BCADHN COCC[C@H](N)C(=O)NCC1CCC1 ZINC000052791347 632896379 /nfs/dbraw/zinc/89/63/79/632896379.db2.gz LDSARSZAXXXNBJ-VIFPVBQESA-N 0 3 200.282 0.267 20 0 BCADHN CCN(CC(C)C)C(=O)[C@@H](N)CCOC ZINC000052791332 632895021 /nfs/dbraw/zinc/89/50/21/632895021.db2.gz RSPDXUZJNICXOS-JTQLQIEISA-N 0 3 216.325 0.855 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1nc(C)cs1 ZINC000052791089 632897380 /nfs/dbraw/zinc/89/73/80/632897380.db2.gz UAJCLYQFQDPWRO-SSDOTTSWSA-N 0 3 229.305 0.754 20 0 BCADHN CCC[C@@H](C)NC(=O)[C@H](N)CCOC ZINC000052790727 632897652 /nfs/dbraw/zinc/89/76/52/632897652.db2.gz QJSBLDWLNXGCBJ-RKDXNWHRSA-N 0 3 202.298 0.655 20 0 BCADHN COCC[C@@H](N)C(=O)NC1(C)CCCC1 ZINC000052810030 632899637 /nfs/dbraw/zinc/89/96/37/632899637.db2.gz YEILCAAQCYWUBV-SECBINFHSA-N 0 3 214.309 0.799 20 0 BCADHN CC[C@H]1COC[C@H]1N[C@H](C)C(=O)N(C)OC ZINC000926771410 633019395 /nfs/dbraw/zinc/01/93/95/633019395.db2.gz BRJQJNJMYGIVMP-KXUCPTDWSA-N 0 3 230.308 0.409 20 0 BCADHN CC[C@@H]1COC[C@H]1N[C@H](C)C(=O)N(C)OC ZINC000926771412 633020993 /nfs/dbraw/zinc/02/09/93/633020993.db2.gz BRJQJNJMYGIVMP-OPRDCNLKSA-N 0 3 230.308 0.409 20 0 BCADHN CCN1CCCN(C(=O)[C@H](C)OC)[C@H](C)C1 ZINC000319891349 635881223 /nfs/dbraw/zinc/88/12/23/635881223.db2.gz XBEDCJAPLAQSFQ-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@@H](CO)NCc1cc(=O)n2ccccc2n1 ZINC000048655134 635882309 /nfs/dbraw/zinc/88/23/09/635882309.db2.gz ROCDPLBYDGHVMA-JTQLQIEISA-N 0 3 247.298 0.555 20 0 BCADHN CC(C)CCN1C(=O)C[C@H](N[C@@H](C)CO)C1=O ZINC000653285668 633069258 /nfs/dbraw/zinc/06/92/58/633069258.db2.gz VLLIROWEUPNUEH-UWVGGRQHSA-N 0 3 242.319 0.130 20 0 BCADHN COC(=O)[C@H]1CCN(C[C@@H]2CCC(=O)O2)C1 ZINC000851731141 633174783 /nfs/dbraw/zinc/17/47/83/633174783.db2.gz XOSTVJNYZMJTPK-IUCAKERBSA-N 0 3 227.260 0.187 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCO2)CCN1C ZINC000928440923 635941994 /nfs/dbraw/zinc/94/19/94/635941994.db2.gz NJTRFWPWIMCVBX-UTLUCORTSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@@H]1[C@H](NC(=O)CNc2ccccn2)CCN1C ZINC000928431243 635915733 /nfs/dbraw/zinc/91/57/33/635915733.db2.gz MFYXUDLXCUTUPI-GHMZBOCLSA-N 0 3 248.330 0.702 20 0 BCADHN C/C=C\[C@H](O)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928430372 635915939 /nfs/dbraw/zinc/91/59/39/635915939.db2.gz WIZAECURNSUYNF-XEJFTZQJSA-N 0 3 212.293 0.132 20 0 BCADHN C[C@H](CCO)CNc1ccncc1CO ZINC000892731852 633206452 /nfs/dbraw/zinc/20/64/52/633206452.db2.gz NTFZBIDOBGUIDM-SECBINFHSA-N 0 3 210.277 0.426 20 0 BCADHN COC(=O)CC(C)(C)NCc1n[nH]c(C)n1 ZINC000309640078 633217127 /nfs/dbraw/zinc/21/71/27/633217127.db2.gz KPEFRDNJVLZJHA-UHFFFAOYSA-N 0 3 226.280 0.544 20 0 BCADHN COc1cc(CN[C@@H](CCO)C2CC2)on1 ZINC000851932452 633224701 /nfs/dbraw/zinc/22/47/01/633224701.db2.gz HBFLASQKUVHPJN-JTQLQIEISA-N 0 3 226.276 0.934 20 0 BCADHN C[C@H]1[C@@H](NC(=O)C2(O)CCC2)CCN1C ZINC000928433926 635927094 /nfs/dbraw/zinc/92/70/94/635927094.db2.gz BJUNLWNBYYCZAP-IUCAKERBSA-N 0 3 212.293 0.110 20 0 BCADHN COC(=O)C1(C(=O)N[C@H]2CCN(C)[C@@H]2C)CC1 ZINC000928433534 635927326 /nfs/dbraw/zinc/92/73/26/635927326.db2.gz ADNXENFZHRMXNZ-BDAKNGLRSA-N 0 3 240.303 0.148 20 0 BCADHN CC[C@H](CO)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928433826 635927484 /nfs/dbraw/zinc/92/74/84/635927484.db2.gz VEGGJGDMBPTAGB-OPRDCNLKSA-N 0 3 214.309 0.214 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCC=CO2)CCN1C ZINC000928433996 635928577 /nfs/dbraw/zinc/92/85/77/635928577.db2.gz CDOLQPUZNWQWGE-OUAUKWLOSA-N 0 3 224.304 0.888 20 0 BCADHN Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928434585 635929107 /nfs/dbraw/zinc/92/91/07/635929107.db2.gz AAHLYRWVEOXLKI-GXSJLCMTSA-N 0 3 249.314 0.918 20 0 BCADHN C[C@@H]1[C@H](NC(=O)C(C)(C)CO)CCN1C ZINC000928436053 635931936 /nfs/dbraw/zinc/93/19/36/635931936.db2.gz IJONEVKECDAWHQ-RKDXNWHRSA-N 0 3 214.309 0.214 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2cnn3c2CCC3)CCN1C ZINC000928435888 635932446 /nfs/dbraw/zinc/93/24/46/635932446.db2.gz SJWPXLRVLAIJDW-GXSJLCMTSA-N 0 3 248.330 0.652 20 0 BCADHN CC1(C)CN(C(=O)[C@@H](N)CC2CC2)CCO1 ZINC000304335689 635938858 /nfs/dbraw/zinc/93/88/58/635938858.db2.gz IEDWXSASBBLSKP-JTQLQIEISA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@H]2CCCO2)CCN1C ZINC000928440909 635940987 /nfs/dbraw/zinc/94/09/87/635940987.db2.gz NJTRFWPWIMCVBX-BBBLOLIVSA-N 0 3 212.293 0.374 20 0 BCADHN Cn1cc(CNC(=O)[C@@H](N)CC2CC2)cn1 ZINC000304352203 635941017 /nfs/dbraw/zinc/94/10/17/635941017.db2.gz KWQUJRUCKWQNQL-JTQLQIEISA-N 0 3 222.292 0.164 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2ccncn2)CCN1C ZINC000928440846 635941184 /nfs/dbraw/zinc/94/11/84/635941184.db2.gz LXKMVWSGCBGTTC-BDAKNGLRSA-N 0 3 220.276 0.299 20 0 BCADHN COCCCOCC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928441730 635943648 /nfs/dbraw/zinc/94/36/48/635943648.db2.gz TUJLDGZVCSPTGH-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN CCOCCOCC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928445613 635948800 /nfs/dbraw/zinc/94/88/00/635948800.db2.gz SDXLSNHTYYTQGO-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H]1[C@H](NC(=O)Cc2ccon2)CCN1C ZINC000928447067 635951298 /nfs/dbraw/zinc/95/12/98/635951298.db2.gz IWSGAJFJUYQBJC-PSASIEDQSA-N 0 3 223.276 0.426 20 0 BCADHN CCNC(=O)CN(CC)C(=O)[C@@H](N)CC1CC1 ZINC000306091673 635956473 /nfs/dbraw/zinc/95/64/73/635956473.db2.gz JUOZVGQHZVNZHO-JTQLQIEISA-N 0 3 241.335 0.098 20 0 BCADHN CNC1(C(=O)Nc2nncs2)CCC1 ZINC000306737438 635974521 /nfs/dbraw/zinc/97/45/21/635974521.db2.gz RGALIRCUNDOYSH-UHFFFAOYSA-N 0 3 212.278 0.619 20 0 BCADHN C[C@H](O)CCN1CCC2(C1)OCCO2 ZINC000306771737 635974652 /nfs/dbraw/zinc/97/46/52/635974652.db2.gz GSOVBOXSGKPCEJ-VIFPVBQESA-N 0 3 201.266 0.206 20 0 BCADHN Cc1c(CNC(=O)[C@@H](N)CC2CC2)cnn1C ZINC000310148101 636005544 /nfs/dbraw/zinc/00/55/44/636005544.db2.gz GJFTVLSEWXPWLW-NSHDSACASA-N 0 3 236.319 0.472 20 0 BCADHN CCN(CC(=O)N(C)C)C(=O)[C@@H](N)CC1CC1 ZINC000310109852 636005914 /nfs/dbraw/zinc/00/59/14/636005914.db2.gz PDQUXVDYAHXGMX-JTQLQIEISA-N 0 3 241.335 0.051 20 0 BCADHN CON(C)C(=O)CNC1CC(OC(C)C)C1 ZINC000895042241 636019274 /nfs/dbraw/zinc/01/92/74/636019274.db2.gz CEWLDSGFTDRCCO-UHFFFAOYSA-N 0 3 230.308 0.552 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCC2(C1)OCCO2 ZINC000307141857 635983856 /nfs/dbraw/zinc/98/38/56/635983856.db2.gz JDYGOVLOFBGYAJ-SNVBAGLBSA-N 0 3 229.320 0.842 20 0 BCADHN CCn1cc(CNC[C@H]2COCO2)c(C)n1 ZINC000894885989 635998296 /nfs/dbraw/zinc/99/82/96/635998296.db2.gz BFLPVIXNGQTDLP-NSHDSACASA-N 0 3 225.292 0.674 20 0 BCADHN Cn1ncc(CNC[C@@H]2COCO2)c1C1CC1 ZINC000894890922 635998440 /nfs/dbraw/zinc/99/84/40/635998440.db2.gz WQCACWNRYBTUMF-LLVKDONJSA-N 0 3 237.303 0.760 20 0 BCADHN CCc1onc(C)c1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000895152564 636093820 /nfs/dbraw/zinc/09/38/20/636093820.db2.gz OKCVSADUQJCSQE-DTORHVGOSA-N 0 3 237.303 0.899 20 0 BCADHN CCON(C)C(=O)CNC1CC(SC)C1 ZINC000895164347 636110022 /nfs/dbraw/zinc/11/00/22/636110022.db2.gz AOOMOKCAVYTMDL-UHFFFAOYSA-N 0 3 232.349 0.880 20 0 BCADHN C[C@@H](NCCC[C@@H]1CCO1)C1N=NC(=O)N1C ZINC000895173380 636115124 /nfs/dbraw/zinc/11/51/24/636115124.db2.gz XYUONECRTMQDCJ-RKDXNWHRSA-N 0 3 240.307 0.740 20 0 BCADHN C[C@H](NC[C@H]1CCCOC1)C1N=NC(=O)N1C ZINC000895173647 636115227 /nfs/dbraw/zinc/11/52/27/636115227.db2.gz ACUCZSYGWOQUQV-DTWKUNHWSA-N 0 3 240.307 0.598 20 0 BCADHN CN1CCNC[C@H]1C(=O)NCCc1ccccc1 ZINC000213716593 636130713 /nfs/dbraw/zinc/13/07/13/636130713.db2.gz GSJLSDIENGBXER-ZDUSSCGKSA-N 0 3 247.342 0.249 20 0 BCADHN C[C@@H](NCc1cnnn1C)[C@H]1CCCCO1 ZINC000309771489 633729373 /nfs/dbraw/zinc/72/93/73/633729373.db2.gz KPKBNSQXMCHTOP-MWLCHTKSSA-N 0 3 224.308 0.862 20 0 BCADHN CCON1CCC(NCc2nccn2C)CC1 ZINC000323385433 633786107 /nfs/dbraw/zinc/78/61/07/633786107.db2.gz QJHZCSIUEVZINZ-UHFFFAOYSA-N 0 3 238.335 0.926 20 0 BCADHN C[C@@H]1C[C@@H](N[C@@H]2CCN(C)[C@@H]2C)c2ncnn21 ZINC000926892774 633816316 /nfs/dbraw/zinc/81/63/16/633816316.db2.gz LNHXDLIEOHFRGA-GWOFURMSSA-N 0 3 235.335 0.966 20 0 BCADHN C[C@@H](O)CCN(C)c1ccncc1CO ZINC000219849941 633848025 /nfs/dbraw/zinc/84/80/25/633848025.db2.gz TZEFUJHERWWHEW-SECBINFHSA-N 0 3 210.277 0.781 20 0 BCADHN Cc1c[nH]nc1C(=O)N1CCNCC1(C)C ZINC000309228404 633868766 /nfs/dbraw/zinc/86/87/66/633868766.db2.gz SHLOKUQOUVBFAW-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN CCN(CC1OCCO1)CC(C)(C)O ZINC000182303397 633942079 /nfs/dbraw/zinc/94/20/79/633942079.db2.gz IAXJJKQWLUUEHC-UHFFFAOYSA-N 0 3 203.282 0.452 20 0 BCADHN CCCN(CCC)CN1CC(=O)N(C)C1=O ZINC000182265897 633941521 /nfs/dbraw/zinc/94/15/21/633941521.db2.gz DGCWXDWCPSTJAG-UHFFFAOYSA-N 0 3 227.308 0.960 20 0 BCADHN CC(C)OC(=O)CNC(=O)[C@@H](N)CC(F)F ZINC000312268097 634010837 /nfs/dbraw/zinc/01/08/37/634010837.db2.gz WWIOGHVESJCEOH-LURJTMIESA-N 0 3 238.234 0.037 20 0 BCADHN CCc1nc(CNC(C)(C)CC(=O)OC)n[nH]1 ZINC000184604056 634011697 /nfs/dbraw/zinc/01/16/97/634011697.db2.gz AAXFIBZBXFEFSO-UHFFFAOYSA-N 0 3 240.307 0.798 20 0 BCADHN CC[C@@H]1COC[C@@H]1NC1CN(C(=O)OC)C1 ZINC000925570073 634067154 /nfs/dbraw/zinc/06/71/54/634067154.db2.gz UVSJRCVRZYCBJS-SCZZXKLOSA-N 0 3 228.292 0.452 20 0 BCADHN CCOC(=O)/C=C\CN1CC[C@@](C)(C(N)=O)C1 ZINC000310048234 634067360 /nfs/dbraw/zinc/06/73/60/634067360.db2.gz CLZYDWVVKYQVNU-QMAVJUDZSA-N 0 3 240.303 0.303 20 0 BCADHN C[C@H](O)C1(N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000895442368 636144802 /nfs/dbraw/zinc/14/48/02/636144802.db2.gz NSJXGJCCXWZUGB-DTWKUNHWSA-N 0 3 233.333 0.067 20 0 BCADHN C[C@H](NCCN1CCC1)c1ccnnc1 ZINC000925604994 634135186 /nfs/dbraw/zinc/13/51/86/634135186.db2.gz CPGPXSHDUURHQK-JTQLQIEISA-N 0 3 206.293 0.833 20 0 BCADHN C[C@H](CCO)N(C)CC[S@](=O)C(F)(F)F ZINC000930862259 634142394 /nfs/dbraw/zinc/14/23/94/634142394.db2.gz IPAJSNZSKTWDGB-MLXNANBUSA-N 0 3 247.282 0.958 20 0 BCADHN c1cc(CNCCN2CCOCC2)co1 ZINC000053343354 634171109 /nfs/dbraw/zinc/17/11/09/634171109.db2.gz STVUPZRNQJALAU-UHFFFAOYSA-N 0 3 210.277 0.701 20 0 BCADHN CC(=O)CN1[C@H](C)CC[C@@H](C(N)=O)[C@H]1C ZINC000930911115 634173855 /nfs/dbraw/zinc/17/38/55/634173855.db2.gz JVXNEOZDYBYOMD-SZEHBUNVSA-N 0 3 212.293 0.550 20 0 BCADHN CSCCCNC(=S)N[C@@H]1CCN(C)C1 ZINC000053528613 634228156 /nfs/dbraw/zinc/22/81/56/634228156.db2.gz OWOGXACHPVTSCR-SECBINFHSA-N 0 3 247.433 0.908 20 0 BCADHN CS(=O)(=O)CCNCCOC1CCCC1 ZINC000053543567 634236351 /nfs/dbraw/zinc/23/63/51/634236351.db2.gz QYOLHQFCEIUYLG-UHFFFAOYSA-N 0 3 235.349 0.580 20 0 BCADHN CC(C)[N@@H+]1CC[C@H](CNc2cc(=O)[n-]cn2)C1 ZINC000162657306 634261856 /nfs/dbraw/zinc/26/18/56/634261856.db2.gz KNNPJXGJRYODAD-SNVBAGLBSA-N 0 3 236.319 0.912 20 0 BCADHN CC(C)[N@H+]1CC[C@H](CNc2cc(=O)[n-]cn2)C1 ZINC000162657306 634261859 /nfs/dbraw/zinc/26/18/59/634261859.db2.gz KNNPJXGJRYODAD-SNVBAGLBSA-N 0 3 236.319 0.912 20 0 BCADHN COCCN(CCO)C[C@@H]1CCC=CO1 ZINC000193866215 634294291 /nfs/dbraw/zinc/29/42/91/634294291.db2.gz XTEDZICJWUCOSE-NSHDSACASA-N 0 3 215.293 0.620 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC000194048814 634303839 /nfs/dbraw/zinc/30/38/39/634303839.db2.gz ZFAKEHWMIJVKGC-VIFPVBQESA-N 0 3 237.307 0.327 20 0 BCADHN CN1CCC[C@H]1CNC(=O)c1cccc[n+]1[O-] ZINC000194698258 634333201 /nfs/dbraw/zinc/33/32/01/634333201.db2.gz BMNPIZZHKBBEPO-JTQLQIEISA-N 0 3 235.287 0.144 20 0 BCADHN O=C(NC[C@@H]1CCCN1CCO)c1ccccn1 ZINC001027725066 635127560 /nfs/dbraw/zinc/12/75/60/635127560.db2.gz JTKMXVXJWQXVKX-NSHDSACASA-N 0 3 249.314 0.268 20 0 BCADHN O=c1cc(N2CC[NH+](C3CCCC3)CC2)nc[n-]1 ZINC000162842269 635141962 /nfs/dbraw/zinc/14/19/62/635141962.db2.gz RNRATORKMYSEGV-UHFFFAOYSA-N 0 3 248.330 0.835 20 0 BCADHN CSC1CC(NC2(C(N)=O)CC2)C1 ZINC000893552700 635151612 /nfs/dbraw/zinc/15/16/12/635151612.db2.gz DTBWSHPFBYHWIX-UHFFFAOYSA-N 0 3 200.307 0.488 20 0 BCADHN C[C@@]1(Br)C[C@@H]1CNC1(C(N)=O)CC1 ZINC000893553168 635153731 /nfs/dbraw/zinc/15/37/31/635153731.db2.gz KWVZXSLKXJRSCM-HTRCEHHLSA-N 0 3 247.136 0.767 20 0 BCADHN Cc1ccc(N(C)C(=O)[C@@H]2CNCCN2C)cc1 ZINC000259092930 635238202 /nfs/dbraw/zinc/23/82/02/635238202.db2.gz YUJIQMRIJBDDLA-ZDUSSCGKSA-N 0 3 247.342 0.861 20 0 BCADHN Cn1cnc(CNCCCC(=O)NC2CC2)c1 ZINC000310152877 635261859 /nfs/dbraw/zinc/26/18/59/635261859.db2.gz PNAPBFPKHSIEDP-UHFFFAOYSA-N 0 3 236.319 0.569 20 0 BCADHN OC[C@@H]1C=CCN1C[C@@H]1CCC2(COC2)O1 ZINC000931704724 635265113 /nfs/dbraw/zinc/26/51/13/635265113.db2.gz QNKPOKJBGGLUTD-QWRGUYRKSA-N 0 3 225.288 0.167 20 0 BCADHN CCN1CCCN(C(=O)Cc2cncnc2)CC1 ZINC000981064833 635315520 /nfs/dbraw/zinc/31/55/20/635315520.db2.gz ZGIAEXGHRRLVEA-UHFFFAOYSA-N 0 3 248.330 0.573 20 0 BCADHN CCCN1CCCN(C(=O)c2ncc[nH]2)CC1 ZINC000981120994 635322532 /nfs/dbraw/zinc/32/25/32/635322532.db2.gz PMHDXMODGPABJY-UHFFFAOYSA-N 0 3 236.319 0.968 20 0 BCADHN COC(=O)[C@@H](C)CN(C)c1cc(C)nc(N)n1 ZINC000223237360 635363431 /nfs/dbraw/zinc/36/34/31/635363431.db2.gz ANXSMTXRVXPYKP-ZETCQYMHSA-N 0 3 238.291 0.613 20 0 BCADHN CC(C)C(=O)N1CC2(C1)CCCN(CCO)C2 ZINC000981625286 635382078 /nfs/dbraw/zinc/38/20/78/635382078.db2.gz CLAWVRRPIILRMP-UHFFFAOYSA-N 0 3 240.347 0.559 20 0 BCADHN Cc1cc(N2CCC([C@@H](C)O)CC2)nc(N)n1 ZINC000225741799 635416134 /nfs/dbraw/zinc/41/61/34/635416134.db2.gz PLUDTONSPFNBNX-SECBINFHSA-N 0 3 236.319 0.964 20 0 BCADHN O=C([N-]O[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000238108039 635621162 /nfs/dbraw/zinc/62/11/62/635621162.db2.gz OFCYLIYRWPSJCG-SNVBAGLBSA-N 0 3 228.292 0.560 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)ncn1 ZINC000928442850 635946561 /nfs/dbraw/zinc/94/65/61/635946561.db2.gz RUQRMVACCPAPCC-UWVGGRQHSA-N 0 3 234.303 0.607 20 0 BCADHN C[C@@H]1[C@@H](NCCF)CCN1C(=O)C1CC1 ZINC000985850057 636431633 /nfs/dbraw/zinc/43/16/33/636431633.db2.gz SVVMNZDVVVZWKQ-SCZZXKLOSA-N 0 3 214.284 0.945 20 0 BCADHN C[C@@H]1[C@H](NCCF)CCN1C(=O)c1ccon1 ZINC000986023291 636468888 /nfs/dbraw/zinc/46/88/88/636468888.db2.gz QKWLPWDSDLVOKV-RKDXNWHRSA-N 0 3 241.266 0.837 20 0 BCADHN C[C@@H]1[C@H](NCCF)CCN1C(=O)c1cocn1 ZINC000986079403 636489238 /nfs/dbraw/zinc/48/92/38/636489238.db2.gz PKYQXNHERYECTA-RKDXNWHRSA-N 0 3 241.266 0.837 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@H]1COC[C@@H]1C ZINC000928908875 636496294 /nfs/dbraw/zinc/49/62/94/636496294.db2.gz JDZAWQFGECKPPH-XVKPBYJWSA-N 0 3 223.276 0.412 20 0 BCADHN C[C@@H]1[C@H](NCCF)CCN1C(=O)c1ncc[nH]1 ZINC000986257624 636550539 /nfs/dbraw/zinc/55/05/39/636550539.db2.gz NAXDQWFENAVYOP-RKDXNWHRSA-N 0 3 240.282 0.572 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NC[C@@H]1COCO1 ZINC000861967844 636611189 /nfs/dbraw/zinc/61/11/89/636611189.db2.gz LGSOUDKBSCWBIJ-GHMZBOCLSA-N 0 3 242.319 0.350 20 0 BCADHN C[C@H](C(=O)N1CCOCN1)N1CCCCCC1 ZINC000928949601 636618392 /nfs/dbraw/zinc/61/83/92/636618392.db2.gz FCFNHQSDYRIIJD-LLVKDONJSA-N 0 3 241.335 0.572 20 0 BCADHN CC(=O)N1C[C@@H](NCc2cnn(C)c2)C[C@H]1C ZINC000987632174 636657367 /nfs/dbraw/zinc/65/73/67/636657367.db2.gz MYSMPTKMKUICHH-SKDRFNHKSA-N 0 3 236.319 0.519 20 0 BCADHN CC(=O)N1C[C@@H](NCc2cnn(C)c2)C[C@@H]1C ZINC000987632167 636657551 /nfs/dbraw/zinc/65/75/51/636657551.db2.gz MYSMPTKMKUICHH-CABZTGNLSA-N 0 3 236.319 0.519 20 0 BCADHN C[C@@H](NCCNc1cnccn1)c1cnnn1C ZINC000925272018 636694548 /nfs/dbraw/zinc/69/45/48/636694548.db2.gz VYKZTVRGWHIZKP-SECBINFHSA-N 0 3 247.306 0.368 20 0 BCADHN Cc1cc([C@H](C)NC[C@H]2COCCN2)n(C)n1 ZINC000863545121 636718781 /nfs/dbraw/zinc/71/87/81/636718781.db2.gz IATGEBPQHXSJRY-QWRGUYRKSA-N 0 3 238.335 0.368 20 0 BCADHN CN1CCC[C@@H]1CN1C(=O)NC(C)(C)C1=O ZINC000925291975 636738631 /nfs/dbraw/zinc/73/86/31/636738631.db2.gz JVIAOZGAXBKIIH-MRVPVSSYSA-N 0 3 225.292 0.411 20 0 BCADHN CN1CCC[C@@H](N2C(=O)N[C@@H](C3CC3)C2=O)C1 ZINC000925294670 636749504 /nfs/dbraw/zinc/74/95/04/636749504.db2.gz UUJYYFSKRJHNEJ-ZJUUUORDSA-N 0 3 237.303 0.411 20 0 BCADHN CN1CCC[C@@H](N2C(=O)N[C@H](CCF)C2=O)C1 ZINC000925298169 636799264 /nfs/dbraw/zinc/79/92/64/636799264.db2.gz NPEJFUZXQVGHLR-RKDXNWHRSA-N 0 3 243.282 0.361 20 0 BCADHN C[C@H]1C[C@@H](NCCF)CN1C(=O)c1cnco1 ZINC000989247962 636806868 /nfs/dbraw/zinc/80/68/68/636806868.db2.gz QZGQMMSUNFRGBE-DTWKUNHWSA-N 0 3 241.266 0.837 20 0 BCADHN CCN(CCO)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925307549 636810574 /nfs/dbraw/zinc/81/05/74/636810574.db2.gz NMWUPZVNUAFHLI-NXEZZACHSA-N 0 3 229.324 0.103 20 0 BCADHN COc1ccc2nccc(NC[C@@H](O)CO)c2c1 ZINC000897552553 636816512 /nfs/dbraw/zinc/81/65/12/636816512.db2.gz OVBLYYUGXGEWBI-SECBINFHSA-N 0 3 248.282 0.430 20 0 BCADHN CCN1CC[C@H](N2C(=O)N[C@H](CCF)C2=O)C1 ZINC000925319294 636834811 /nfs/dbraw/zinc/83/48/11/636834811.db2.gz BOTPGVBBWDGXAI-DTWKUNHWSA-N 0 3 243.282 0.361 20 0 BCADHN C[C@H]1C[C@H](NCCF)CN1C(=O)c1cnon1 ZINC000989580112 636864550 /nfs/dbraw/zinc/86/45/50/636864550.db2.gz LGFQCAGWLWSLPL-YUMQZZPRSA-N 0 3 242.254 0.232 20 0 BCADHN CC(C)[C@H](O)CNC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925322981 636865503 /nfs/dbraw/zinc/86/55/03/636865503.db2.gz HZJSYJUKSRSKGD-HBNTYKKESA-N 0 3 243.351 0.395 20 0 BCADHN CN(C)CCN(C)C(=O)NCC1CSC1 ZINC000923824002 636873264 /nfs/dbraw/zinc/87/32/64/636873264.db2.gz LGBBHQSIZAJJTQ-UHFFFAOYSA-N 0 3 231.365 0.552 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCNC(=O)[C@H]1CC ZINC000110689769 636881419 /nfs/dbraw/zinc/88/14/19/636881419.db2.gz AOYOXEBSKHTNBF-BXKDBHETSA-N 0 3 241.335 0.241 20 0 BCADHN CCOCCN(C)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925329375 636924003 /nfs/dbraw/zinc/92/40/03/636924003.db2.gz AHTUNTMPGQBDDP-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H]1[C@H](NC(=O)N(C)[C@H]2CCOC2)CCN1C ZINC000925329504 636924049 /nfs/dbraw/zinc/92/40/49/636924049.db2.gz OXFUEQZPKBSFJX-OUAUKWLOSA-N 0 3 241.335 0.509 20 0 BCADHN CC(C)[C@H]1COCC[C@H]1NCc1nncn1C ZINC000924644674 636971334 /nfs/dbraw/zinc/97/13/34/636971334.db2.gz QWKWLOGQNNBLPM-GHMZBOCLSA-N 0 3 238.335 0.966 20 0 BCADHN C[C@@H](NCCO[C@H]1CCOC1)c1cn[nH]c1 ZINC000927079794 637017961 /nfs/dbraw/zinc/01/79/61/637017961.db2.gz FZJSWUXRZVUQRZ-KOLCDFICSA-N 0 3 225.292 0.866 20 0 BCADHN CN(C)C1(C(=O)N(C)[C@@H]2CCC[C@H]2O)CCC1 ZINC000923806460 637028698 /nfs/dbraw/zinc/02/86/98/637028698.db2.gz UQSAPNRBFSIVBA-GHMZBOCLSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@H](NC[C@H](O)c1ccnn1C)c1ccnn1C ZINC000927132208 637042912 /nfs/dbraw/zinc/04/29/12/637042912.db2.gz TXPGFEMEJYARBK-CABZTGNLSA-N 0 3 249.318 0.538 20 0 BCADHN CN(C)CCn1nccc1C(=O)NCC(F)F ZINC000900907380 637200745 /nfs/dbraw/zinc/20/07/45/637200745.db2.gz XOISJEFGHYIWPB-UHFFFAOYSA-N 0 3 246.261 0.440 20 0 BCADHN CCC/C=C\[C@@H](O)C(=O)N(C)CCN(C)C ZINC000900927512 637212537 /nfs/dbraw/zinc/21/25/37/637212537.db2.gz QSHAZYFKCNZFFW-SKVAFPRGSA-N 0 3 228.336 0.724 20 0 BCADHN CCC/C=C/[C@@H](O)C(=O)N(C)CCN(C)C ZINC000900927524 637213180 /nfs/dbraw/zinc/21/31/80/637213180.db2.gz QSHAZYFKCNZFFW-WSKFYRRCSA-N 0 3 228.336 0.724 20 0 BCADHN Cc1cc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)cnc1F ZINC000902646600 637318850 /nfs/dbraw/zinc/31/88/50/637318850.db2.gz QGLOLMDAEFIJDD-JGPRNRPPSA-N 0 3 240.278 0.503 20 0 BCADHN CCS(=O)(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000903550669 637370793 /nfs/dbraw/zinc/37/07/93/637370793.db2.gz UKMBORFJDCMQRV-GHMZBOCLSA-N 0 3 240.328 0.550 20 0 BCADHN CCn1cc(CNCCN(C)OC)c(C)n1 ZINC000904439930 637410243 /nfs/dbraw/zinc/41/02/43/637410243.db2.gz SMLAAXVPNJUCGT-UHFFFAOYSA-N 0 3 226.324 0.794 20 0 BCADHN COC(=O)c1cc(CNCCCON)oc1C ZINC000904455861 637417291 /nfs/dbraw/zinc/41/72/91/637417291.db2.gz DIHRCYHTPZNSLU-UHFFFAOYSA-N 0 3 242.275 0.745 20 0 BCADHN CCOC(=O)c1ccc(CNCCCON)o1 ZINC000904455843 637417871 /nfs/dbraw/zinc/41/78/71/637417871.db2.gz CVJRMAVANKBZMX-UHFFFAOYSA-N 0 3 242.275 0.826 20 0 BCADHN COC(=O)c1ccc(CNCCCON)o1 ZINC000904458334 637421344 /nfs/dbraw/zinc/42/13/44/637421344.db2.gz WTEBTLDVIHAZBT-UHFFFAOYSA-N 0 3 228.248 0.436 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H](O)C1(O)CCCC1 ZINC000905040552 637558989 /nfs/dbraw/zinc/55/89/89/637558989.db2.gz NMPJWIKIRMHRKP-LLVKDONJSA-N 0 3 239.319 0.474 20 0 BCADHN Cc1cccc([C@H](O)CNCC(=O)N(C)C)c1 ZINC000905024016 637575251 /nfs/dbraw/zinc/57/52/51/637575251.db2.gz HLJBAFHTZDYUAX-GFCCVEGCSA-N 0 3 236.315 0.706 20 0 BCADHN Cc1cccc([C@H](O)CN[C@@H]2CC(=O)N(C)C2)c1 ZINC000905090984 637587180 /nfs/dbraw/zinc/58/71/80/637587180.db2.gz WTDCOIRGVZJANL-CHWSQXEVSA-N 0 3 248.326 0.849 20 0 BCADHN Cc1cccc([C@H](O)CN[C@H]2CC(=O)N(C)C2)c1 ZINC000905090987 637587801 /nfs/dbraw/zinc/58/78/01/637587801.db2.gz WTDCOIRGVZJANL-QWHCGFSZSA-N 0 3 248.326 0.849 20 0 BCADHN CC[C@@H](N)c1cn([C@@H]2C(=O)OCC2(C)C)nn1 ZINC000905065038 637599370 /nfs/dbraw/zinc/59/93/70/637599370.db2.gz PDGNIIVNEYSUJR-VXNVDRBHSA-N 0 3 238.291 0.812 20 0 BCADHN CC[C@@](O)(CNCC[S@@](C)=O)C(F)(F)F ZINC000905098074 637637303 /nfs/dbraw/zinc/63/73/03/637637303.db2.gz PWLNUPONQIAXFT-KWKYVRJSSA-N 0 3 247.282 0.658 20 0 BCADHN C[C@](O)(CN[C@H]1CC(=O)N(C2CC2)C1)C(F)F ZINC000905145753 637653610 /nfs/dbraw/zinc/65/36/10/637653610.db2.gz DNFRRJMFTAHCMQ-CPCISQLKSA-N 0 3 248.273 0.355 20 0 BCADHN C[C@@](O)(CN[C@H]1CC(=O)N(C2CC2)C1)C(F)F ZINC000905145756 637653991 /nfs/dbraw/zinc/65/39/91/637653991.db2.gz DNFRRJMFTAHCMQ-WRWORJQWSA-N 0 3 248.273 0.355 20 0 BCADHN COC[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000905149321 637659794 /nfs/dbraw/zinc/65/97/94/637659794.db2.gz PUKLBGGKEVNCFC-LPEHRKFASA-N 0 3 229.324 0.413 20 0 BCADHN C[C@H]1[C@@H](NC(=O)NCc2ccncc2)CCN1C ZINC000905150068 637660819 /nfs/dbraw/zinc/66/08/19/637660819.db2.gz WAWUEQJGUBQWQH-JQWIXIFHSA-N 0 3 248.330 0.973 20 0 BCADHN Cc1cncc(CNC[C@@H](O)C2(O)CCC2)c1 ZINC000905186843 637668020 /nfs/dbraw/zinc/66/80/20/637668020.db2.gz DRBPWRGXMNRDBK-GFCCVEGCSA-N 0 3 236.315 0.756 20 0 BCADHN Cc1cnccc1CNC[C@@H](O)C1(O)CCC1 ZINC000905226879 637689079 /nfs/dbraw/zinc/68/90/79/637689079.db2.gz AWFCYFCWCGQJPJ-GFCCVEGCSA-N 0 3 236.315 0.756 20 0 BCADHN Cc1ccncc1CNC[C@H](O)C1(O)CCC1 ZINC000905278504 637734907 /nfs/dbraw/zinc/73/49/07/637734907.db2.gz HSQPYEKZZDWUKE-LBPRGKRZSA-N 0 3 236.315 0.756 20 0 BCADHN C[C@H](C(=O)NCCN1CCCC1)c1cnccn1 ZINC000905380418 637782842 /nfs/dbraw/zinc/78/28/42/637782842.db2.gz LEWYILTUOUPJAY-NSHDSACASA-N 0 3 248.330 0.792 20 0 BCADHN C[C@@H](C(=O)NCCN1CCCC1)c1cnccn1 ZINC000905380416 637783316 /nfs/dbraw/zinc/78/33/16/637783316.db2.gz LEWYILTUOUPJAY-LLVKDONJSA-N 0 3 248.330 0.792 20 0 BCADHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCCN1CCCC1 ZINC000905386033 637785966 /nfs/dbraw/zinc/78/59/66/637785966.db2.gz ZBEYPLCVTSCBGI-GRYCIOLGSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)(F)CNC[C@@H](O)C1(O)CCCC1 ZINC000905397031 637808206 /nfs/dbraw/zinc/80/82/06/637808206.db2.gz CYVQWOJVGCTKJG-SECBINFHSA-N 0 3 219.300 0.990 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1CNC[C@@H](O)C(F)(F)F ZINC000905489365 637834528 /nfs/dbraw/zinc/83/45/28/637834528.db2.gz BXRAIANFSQGTBJ-FSDSQADBSA-N 0 3 241.209 0.308 20 0 BCADHN COC(=O)/C(C)=C/CNC[C@H](O)COC(C)C ZINC000905532781 637845358 /nfs/dbraw/zinc/84/53/58/637845358.db2.gz SYKFOSVWJKRHKV-UAWPZABVSA-N 0 3 245.319 0.481 20 0 BCADHN COC(=O)/C(C)=C/CNC[C@@H](O)CSC ZINC000905532934 637845742 /nfs/dbraw/zinc/84/57/42/637845742.db2.gz UTNPJZJTMQHUBB-VGANXODHSA-N 0 3 233.333 0.419 20 0 BCADHN Cn1nc(C2CC2)cc1CNCCC(N)=O ZINC000905620495 637858682 /nfs/dbraw/zinc/85/86/82/637858682.db2.gz RYRAHUBOOKQJRA-UHFFFAOYSA-N 0 3 222.292 0.263 20 0 BCADHN C[C@@H](O)CNCc1cc(C2CC2)nn1C ZINC000905619488 637867787 /nfs/dbraw/zinc/86/77/87/637867787.db2.gz NAYSYCIXBFUCNE-MRVPVSSYSA-N 0 3 209.293 0.768 20 0 BCADHN C[C@@H]1[C@@H](NC(=S)NCC2CC2)CCN1C ZINC000905651452 637870659 /nfs/dbraw/zinc/87/06/59/637870659.db2.gz WCEKOQLGGSALPU-SCZZXKLOSA-N 0 3 227.377 0.953 20 0 BCADHN C[C@@H]1[C@H](NC(=S)NCC2CC2)CCN1C ZINC000905651451 637871123 /nfs/dbraw/zinc/87/11/23/637871123.db2.gz WCEKOQLGGSALPU-PSASIEDQSA-N 0 3 227.377 0.953 20 0 BCADHN COc1nn(C)cc1CNCC1(O)CCC1 ZINC000905674266 637887075 /nfs/dbraw/zinc/88/70/75/637887075.db2.gz GVSITENPCSHIST-UHFFFAOYSA-N 0 3 225.292 0.433 20 0 BCADHN Cc1ncccc1CCNCCS(C)(=O)=O ZINC000905699422 637895778 /nfs/dbraw/zinc/89/57/78/637895778.db2.gz DQYQPUGGQZBJJL-UHFFFAOYSA-N 0 3 242.344 0.567 20 0 BCADHN COC[C@@H](N[C@@H]1CCN(OC)C1=O)C1CC1 ZINC000905762924 637918975 /nfs/dbraw/zinc/91/89/75/637918975.db2.gz PFKGLVOUHQTGMG-NXEZZACHSA-N 0 3 228.292 0.163 20 0 BCADHN CC[C@@H](N)c1cn([C@@H]2CCN(OC)C2=O)nn1 ZINC000905838991 637939678 /nfs/dbraw/zinc/93/96/78/637939678.db2.gz GSXXSOVOTRWPNH-VXNVDRBHSA-N 0 3 239.279 0.023 20 0 BCADHN C[C@@H]1COC[C@H]1N[C@@H](Cc1ccccc1)C(N)=O ZINC000905866081 637951500 /nfs/dbraw/zinc/95/15/00/637951500.db2.gz IEQAVSYWESZZTM-KGYLQXTDSA-N 0 3 248.326 0.708 20 0 BCADHN CN1CC[C@@H]1CN[C@H](Cc1ccccc1)C(N)=O ZINC000905854648 637964162 /nfs/dbraw/zinc/96/41/62/637964162.db2.gz MJTANFFONLQLPX-CHWSQXEVSA-N 0 3 247.342 0.377 20 0 BCADHN COCC1CN(C[C@@H](O)CSC)C1 ZINC000905969494 637986062 /nfs/dbraw/zinc/98/60/62/637986062.db2.gz BGDBMKZSAWCGME-SECBINFHSA-N 0 3 205.323 0.289 20 0 BCADHN COCC1CN(C[C@@](C)(O)C(F)F)C1 ZINC000905971150 637986390 /nfs/dbraw/zinc/98/63/90/637986390.db2.gz LYSQVTUMDHYNNG-SECBINFHSA-N 0 3 209.236 0.581 20 0 BCADHN COCC1CN(C[C@H](O)CCC2(O)CCC2)C1 ZINC000905973270 637988984 /nfs/dbraw/zinc/98/89/84/637988984.db2.gz WKSSWGNHWWSQBS-GFCCVEGCSA-N 0 3 243.347 0.621 20 0 BCADHN C[C@@H]1CN(C[C@H](O)C[C@]2(O)CCOC2)[C@H]1C ZINC000905955974 638002595 /nfs/dbraw/zinc/00/25/95/638002595.db2.gz JLVIMJQURBKLMW-WRWGMCAJSA-N 0 3 229.320 0.229 20 0 BCADHN COC[C@@H]1CCN1C[C@H](O)C1(O)CCCC1 ZINC000905955448 638004610 /nfs/dbraw/zinc/00/46/10/638004610.db2.gz FOUGEPZLBFNEKJ-QWRGUYRKSA-N 0 3 229.320 0.373 20 0 BCADHN CN(CCO)C(=O)C(C)(C)N1CCCCC1 ZINC000906042423 638032453 /nfs/dbraw/zinc/03/24/53/638032453.db2.gz BMYGBMYMACYKRW-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN C[C@H](CO)NC(=O)C(C)(C)N1CCCCC1 ZINC000906051577 638038416 /nfs/dbraw/zinc/03/84/16/638038416.db2.gz RZRGZBBHDXCDEC-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN Cc1nnc(Cc2noc([C@H]3CCN(C)C3)n2)[nH]1 ZINC000906119017 638061675 /nfs/dbraw/zinc/06/16/75/638061675.db2.gz HWNSSVJIBOEDEQ-QMMMGPOBSA-N 0 3 248.290 0.506 20 0 BCADHN C[C@H](N[C@H]1CCN(C)C1)c1ccn(C)n1 ZINC000906526663 638191380 /nfs/dbraw/zinc/19/13/80/638191380.db2.gz XFPQLFZDGHQBCE-UWVGGRQHSA-N 0 3 208.309 0.775 20 0 BCADHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000906893769 638273732 /nfs/dbraw/zinc/27/37/32/638273732.db2.gz BOUUQPDNXVQHRU-OUAUKWLOSA-N 0 3 240.347 0.868 20 0 BCADHN COC(=O)CC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000907284126 638340956 /nfs/dbraw/zinc/34/09/56/638340956.db2.gz LBQQXWUDDLQJGP-VIFPVBQESA-N 0 3 240.303 0.316 20 0 BCADHN CN(CC(=O)N1CCC[C@@]1(C)CO)C1CCC1 ZINC000907374468 638365563 /nfs/dbraw/zinc/36/55/63/638365563.db2.gz ONWIOOXDQWAJBQ-ZDUSSCGKSA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CCC[C@H]1CCO)N(C)C ZINC000907557426 638406215 /nfs/dbraw/zinc/40/62/15/638406215.db2.gz YTEFUMHOVBNSND-SRVKXCTJSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1cc(NC[C@H]2CCCO2)nc(N)n1 ZINC000043531924 638523927 /nfs/dbraw/zinc/52/39/27/638523927.db2.gz ZOJSSBFVMODAMS-MRVPVSSYSA-N 0 3 208.265 0.958 20 0 BCADHN O=C(O[C@H]1CNOC1)[C@H]1CC[C@@H]2CCCCN12 ZINC000908118576 638572044 /nfs/dbraw/zinc/57/20/44/638572044.db2.gz LALSKCGXCOCRFH-GARJFASQSA-N 0 3 240.303 0.450 20 0 BCADHN CC(C)=C(C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908205521 638608825 /nfs/dbraw/zinc/60/88/25/638608825.db2.gz WDXNRQHXLMEPRL-GFCCVEGCSA-N 0 3 240.347 0.916 20 0 BCADHN C/C(Cl)=C\C(=O)N[C@H](CO)CN1CCCC1 ZINC000908206581 638609704 /nfs/dbraw/zinc/60/97/04/638609704.db2.gz CUTRILKVZWMCAK-ZKXNXJMVSA-N 0 3 246.738 0.702 20 0 BCADHN CCC/C=C/C(=O)N[C@H](CO)CN1CCCC1 ZINC000908207873 638613161 /nfs/dbraw/zinc/61/31/61/638613161.db2.gz KNWGJMCEIHKLEK-NTYUQYKDSA-N 0 3 240.347 0.916 20 0 BCADHN Cc1ncc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)n1C ZINC000908349755 638661416 /nfs/dbraw/zinc/66/14/16/638661416.db2.gz TYLMQXNXNFTIQP-ZYHUDNBSSA-N 0 3 248.330 0.505 20 0 BCADHN CN(C)CCCS(=O)(=O)NC/C=C/Cl ZINC000908453071 638741060 /nfs/dbraw/zinc/74/10/60/638741060.db2.gz PSHPRXTVPTWFOX-HWKANZROSA-N 0 3 240.756 0.610 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCn2ccnc21)N(C)C ZINC000908518127 638753666 /nfs/dbraw/zinc/75/36/66/638753666.db2.gz URBWYPNDABIZCR-NXEZZACHSA-N 0 3 236.319 0.784 20 0 BCADHN CCc1nc[nH]c1C(=O)NOCCN(C)C ZINC000908527882 638997883 /nfs/dbraw/zinc/99/78/83/638997883.db2.gz KEDZDAKDZBSULN-UHFFFAOYSA-N 0 3 226.280 0.195 20 0 BCADHN C[N@@H+]1CCC[C@@](O)(CC(=O)[N-]OC2CCC2)C1 ZINC000908568587 639018692 /nfs/dbraw/zinc/01/86/92/639018692.db2.gz DINJVTSOSVLFOC-GFCCVEGCSA-N 0 3 242.319 0.434 20 0 BCADHN C[N@H+]1CCC[C@@](O)(CC(=O)[N-]OC2CCC2)C1 ZINC000908568587 639018696 /nfs/dbraw/zinc/01/86/96/639018696.db2.gz DINJVTSOSVLFOC-GFCCVEGCSA-N 0 3 242.319 0.434 20 0 BCADHN C[N@@H+]1CCC[C@](O)(CC(=O)[N-]OC2CCC2)C1 ZINC000908568588 639020019 /nfs/dbraw/zinc/02/00/19/639020019.db2.gz DINJVTSOSVLFOC-LBPRGKRZSA-N 0 3 242.319 0.434 20 0 BCADHN C[N@H+]1CCC[C@](O)(CC(=O)[N-]OC2CCC2)C1 ZINC000908568588 639020029 /nfs/dbraw/zinc/02/00/29/639020029.db2.gz DINJVTSOSVLFOC-LBPRGKRZSA-N 0 3 242.319 0.434 20 0 BCADHN CC[C@@H](NC(=O)[C@H](CC)N(C)C)[C@@H](C)O ZINC000909024385 639127277 /nfs/dbraw/zinc/12/72/77/639127277.db2.gz FKSAMWFYJNVFLA-BBBLOLIVSA-N 0 3 216.325 0.602 20 0 BCADHN CN(C)[C@@H]1[C@H]2CN(C(=O)[C@H]3[C@@H]4C(=O)CC[C@H]34)C[C@H]21 ZINC000909145643 639160928 /nfs/dbraw/zinc/16/09/28/639160928.db2.gz HOOOWBGXPXPQAZ-WNOCVFFISA-N 0 3 248.326 0.230 20 0 BCADHN C[C@H]1C(=O)N(C2CCN(C)CC2)C(=O)N1C ZINC000348419013 639161344 /nfs/dbraw/zinc/16/13/44/639161344.db2.gz BITXJGYTFLWSNR-QMMMGPOBSA-N 0 3 225.292 0.363 20 0 BCADHN C[NH2+][C@H]1CCN(Cc2nc(C)ccc2[O-])C1 ZINC000150031681 639269294 /nfs/dbraw/zinc/26/92/94/639269294.db2.gz DJSHGEGWSBZKIY-JTQLQIEISA-N 0 3 221.304 0.889 20 0 BCADHN CCN1CCCN(C(=O)[C@H](C)O)[C@H](C)C1 ZINC000910278987 639403787 /nfs/dbraw/zinc/40/37/87/639403787.db2.gz IEIFFLIZAOXPOM-ZJUUUORDSA-N 0 3 214.309 0.310 20 0 BCADHN CCN1CCCN(C(=O)c2ncc[nH]2)[C@H](C)C1 ZINC000910272936 639398810 /nfs/dbraw/zinc/39/88/10/639398810.db2.gz YOVJEFUUYMWXAU-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CCC[C@@H](CO)C1)N(C)C ZINC000910561054 639481032 /nfs/dbraw/zinc/48/10/32/639481032.db2.gz RXFGYGUYYXWGCS-UTUOFQBUSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@@H](C(=O)N1C[C@H](C)C[C@H](CO)C1)N(C)C ZINC000911184240 639589286 /nfs/dbraw/zinc/58/92/86/639589286.db2.gz XFRQSZLAIUYWSE-WOPDTQHZSA-N 0 3 242.363 0.804 20 0 BCADHN C/C=C/[C@H](O)C(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000911511104 639658713 /nfs/dbraw/zinc/65/87/13/639658713.db2.gz FDFBUYBPCLKAOK-XCOQAZTISA-N 0 3 240.347 0.866 20 0 BCADHN OC[C@]12C[C@H]1CN(CCc1ccns1)C2 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/nfs/dbraw/zinc/41/43/96/640414396.db2.gz NDCPFKQJOZYNSV-GHMZBOCLSA-N 0 3 228.336 0.822 20 0 BCADHN Cc1ccc(CC(=O)NC[C@H]2CNCCO2)cc1 ZINC000036285555 640452381 /nfs/dbraw/zinc/45/23/81/640452381.db2.gz PEPZNCVKKIPUCU-CYBMUJFWSA-N 0 3 248.326 0.642 20 0 BCADHN Cc1cc(N[C@@H](C)C[S@](C)=O)nc(N)n1 ZINC000164193572 640457164 /nfs/dbraw/zinc/45/71/64/640457164.db2.gz DLWGXSBBFICKGO-NZFNHWASSA-N 0 3 228.321 0.546 20 0 BCADHN Cn1ccc(CN[C@@H](CCO)C2CC2)n1 ZINC000164380402 640475665 /nfs/dbraw/zinc/47/56/65/640475665.db2.gz KXGFZKVSKUBVIK-NSHDSACASA-N 0 3 209.293 0.671 20 0 BCADHN C[C@@H]1CCN(C[C@@H]2C[C@H]3COC[C@@H]3O2)CCO1 ZINC000932334715 640477900 /nfs/dbraw/zinc/47/79/00/640477900.db2.gz DAYRTOGFFOWUFR-VOAKCMCISA-N 0 3 241.331 0.901 20 0 BCADHN C[C@@H]1CCN(Cc2ccn(C)c(=O)c2)CCO1 ZINC000932349469 640493509 /nfs/dbraw/zinc/49/35/09/640493509.db2.gz FOTXWDSQBBZYCQ-LLVKDONJSA-N 0 3 236.315 0.996 20 0 BCADHN c1[nH]nnc1CCN[C@@H](c1ncccn1)C1CC1 ZINC000932357247 640499555 /nfs/dbraw/zinc/49/95/55/640499555.db2.gz YYQHEEHYMZRLKQ-LLVKDONJSA-N 0 3 244.302 0.878 20 0 BCADHN C[C@H](O)[C@H](O)CN[C@@H](c1ccccn1)C1CC1 ZINC000932383517 640510796 /nfs/dbraw/zinc/51/07/96/640510796.db2.gz FBWIGPSCQKSRTR-ZWKOPEQDSA-N 0 3 236.315 0.864 20 0 BCADHN COCCOC[C@@H](C)NCc1ccnn1C ZINC000165118744 640540163 /nfs/dbraw/zinc/54/01/63/640540163.db2.gz PRRKKHBEWXQHQC-SNVBAGLBSA-N 0 3 227.308 0.561 20 0 BCADHN CCN(C/C=C(\C)C(=O)OC)CCC(N)=O ZINC000932481392 640548490 /nfs/dbraw/zinc/54/84/90/640548490.db2.gz VKPLBBQJKCPXFB-WEVVVXLNSA-N 0 3 228.292 0.303 20 0 BCADHN C[NH+](C)C1(CNc2cc(=O)[n-]cn2)CCC1 ZINC000165252418 640550503 /nfs/dbraw/zinc/55/05/03/640550503.db2.gz VFFNGQYDZVUXEY-UHFFFAOYSA-N 0 3 222.292 0.666 20 0 BCADHN O=c1cc(NCC[NH+]2CCCCC2)nc[n-]1 ZINC000165222282 640551064 /nfs/dbraw/zinc/55/10/64/640551064.db2.gz MDNMKKWXIHDTTO-UHFFFAOYSA-N 0 3 222.292 0.668 20 0 BCADHN C[C@@H](NC(=O)C(C)(C)N)C(=O)NC(C)(C)C ZINC000157010137 640553815 /nfs/dbraw/zinc/55/38/15/640553815.db2.gz FKTSQZFYDVHGHO-SSDOTTSWSA-N 0 3 229.324 0.143 20 0 BCADHN CN(C[C@@H]1CCC[N@@H+]1C)c1cc(=O)[n-]cn1 ZINC000165428571 640574357 /nfs/dbraw/zinc/57/43/57/640574357.db2.gz YDFIHQLXICNPPW-VIFPVBQESA-N 0 3 222.292 0.300 20 0 BCADHN CN(C[C@@H]1CCC[N@H+]1C)c1cc(=O)[n-]cn1 ZINC000165428571 640574363 /nfs/dbraw/zinc/57/43/63/640574363.db2.gz YDFIHQLXICNPPW-VIFPVBQESA-N 0 3 222.292 0.300 20 0 BCADHN CCOC(=O)[C@H]1CCN(C[C@H]2CCC(=O)O2)C1 ZINC000932637498 640594044 /nfs/dbraw/zinc/59/40/44/640594044.db2.gz BLAMMSOEABPBOI-VHSXEESVSA-N 0 3 241.287 0.577 20 0 BCADHN CCOC(=O)[C@H]1CCN(CCc2cn[nH]n2)C1 ZINC000932637471 640594553 /nfs/dbraw/zinc/59/45/53/640594553.db2.gz BCCQMRNBMJANOX-VIFPVBQESA-N 0 3 238.291 0.232 20 0 BCADHN CCOC(=O)[C@@H]1CCN(CCCC(=O)OC)C1 ZINC000932647667 640598882 /nfs/dbraw/zinc/59/88/82/640598882.db2.gz ZUQUQBDPWWQHTM-SNVBAGLBSA-N 0 3 243.303 0.825 20 0 BCADHN CC(C)N(C)CCNC(=O)c1cc(=O)cc[nH]1 ZINC000932728420 640604778 /nfs/dbraw/zinc/60/47/78/640604778.db2.gz HEHFUVFQFYASEZ-UHFFFAOYSA-N 0 3 237.303 0.445 20 0 BCADHN CC[C@@H]1C(=O)NCCCN1CCCCO ZINC000933221571 640684124 /nfs/dbraw/zinc/68/41/24/640684124.db2.gz VWWYVSJISHWBPL-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN CC[C@H]1C(=O)NCCCN1CC[C@@H](C)O ZINC000933231255 640687363 /nfs/dbraw/zinc/68/73/63/640687363.db2.gz VHGWEBHGQCTWIX-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN CC[C@H]1C(=O)NCCCN1C[C@@H](COC)OC ZINC000933231559 640687689 /nfs/dbraw/zinc/68/76/89/640687689.db2.gz NLZSSODTSPIXAJ-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN CC[C@H]1C(=O)NCCCN1CC[C@H](C)O ZINC000933231254 640688514 /nfs/dbraw/zinc/68/85/14/640688514.db2.gz VHGWEBHGQCTWIX-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN CCC1(CC)CNC(=O)[C@@H]1N[C@@H]1CCOC1 ZINC000933286553 640697412 /nfs/dbraw/zinc/69/74/12/640697412.db2.gz PFDSYSWDPDNGLY-ZJUUUORDSA-N 0 3 226.320 0.670 20 0 BCADHN CCCNC(=O)[C@@H](C)n1cc([C@H](C)N)nn1 ZINC000167124836 640702309 /nfs/dbraw/zinc/70/23/09/640702309.db2.gz VPMCKRVTNYQPGU-JGVFFNPUSA-N 0 3 225.296 0.385 20 0 BCADHN C[C@@H](N)c1cn(C[C@H]2CCCCO2)nn1 ZINC000167132072 640704010 /nfs/dbraw/zinc/70/40/10/640704010.db2.gz KDNYLIROPTWTIH-RKDXNWHRSA-N 0 3 210.281 0.867 20 0 BCADHN Cc1cc(NCc2cc[nH]n2)nc(N)n1 ZINC000225711281 640705431 /nfs/dbraw/zinc/70/54/31/640705431.db2.gz FVYKNPVQMMYYBS-UHFFFAOYSA-N 0 3 204.237 0.702 20 0 BCADHN C(N[C@]12C[C@H]1COC21CCC1)C1OCCO1 ZINC000933388633 640711439 /nfs/dbraw/zinc/71/14/39/640711439.db2.gz IORSVPQZGXVMOB-JOYOIKCWSA-N 0 3 225.288 0.661 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)Nc2cnn(C)c2)C1 ZINC000167399591 640715706 /nfs/dbraw/zinc/71/57/06/640715706.db2.gz AOQRKMRHYUTQKT-WPRPVWTQSA-N 0 3 222.292 0.747 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)Nc2cnn(C)c2)C1 ZINC000167399698 640715726 /nfs/dbraw/zinc/71/57/26/640715726.db2.gz AOQRKMRHYUTQKT-PSASIEDQSA-N 0 3 222.292 0.747 20 0 BCADHN C[C@@](CO)(Cc1ccccc1F)NCC(N)=O ZINC000933438219 640717992 /nfs/dbraw/zinc/71/79/92/640717992.db2.gz VCEXKSSVGLFZDF-LBPRGKRZSA-N 0 3 240.278 0.194 20 0 BCADHN CC[C@](C)(O)CN1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933721662 640754188 /nfs/dbraw/zinc/75/41/88/640754188.db2.gz HZKHALKTMWRWOF-AXFHLTTASA-N 0 3 247.360 0.124 20 0 BCADHN CC[C@@H](C)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933725232 640754231 /nfs/dbraw/zinc/75/42/31/640754231.db2.gz UCOIKHBOMHYHCP-BBBLOLIVSA-N 0 3 217.334 0.761 20 0 BCADHN CCN(CCC(=O)NC)[C@H]1CCN(CC)C1=O ZINC000933860375 640772528 /nfs/dbraw/zinc/77/25/28/640772528.db2.gz SLZCLOMAPUKQLR-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CO[C@H](C)CN1CCC[C@H]1C1OCCO1 ZINC000933898534 640785524 /nfs/dbraw/zinc/78/55/24/640785524.db2.gz FDBUEUXAEHCDGE-ZJUUUORDSA-N 0 3 215.293 0.859 20 0 BCADHN CC(C)[C@H](O)CN1CCO[C@@H]2COCC[C@@H]21 ZINC000933963232 640795082 /nfs/dbraw/zinc/79/50/82/640795082.db2.gz AFQRXPSTLJTXRA-QJPTWQEYSA-N 0 3 229.320 0.493 20 0 BCADHN Cn1cnc(/C=C\C(=O)N2CCNC(C)(C)C2)c1 ZINC000934056214 640810437 /nfs/dbraw/zinc/81/04/37/640810437.db2.gz PREOELQPRSJKJE-PLNGDYQASA-N 0 3 248.330 0.644 20 0 BCADHN Cc1cccc2c1CCN(C[C@H](O)CO)C2 ZINC000074447957 640810812 /nfs/dbraw/zinc/81/08/12/640810812.db2.gz FUMDUDLCSPOUGG-LBPRGKRZSA-N 0 3 221.300 0.706 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1ccc(C)o1 ZINC000227381070 640831351 /nfs/dbraw/zinc/83/13/51/640831351.db2.gz ILAZZNSAGXQLIU-VIFPVBQESA-N 0 3 212.249 0.178 20 0 BCADHN CO[C@@H](CN)c1nc(-c2cscn2)no1 ZINC000227300241 640823693 /nfs/dbraw/zinc/82/36/93/640823693.db2.gz KXBFTXDOZTWVQQ-LURJTMIESA-N 0 3 226.261 0.839 20 0 BCADHN CSC(C)(C)CNC(=O)C[C@@H]1CNCCO1 ZINC000158268255 640826044 /nfs/dbraw/zinc/82/60/44/640826044.db2.gz ZYWKRKDNTSURCG-SECBINFHSA-N 0 3 246.376 0.623 20 0 BCADHN CC[C@@H](C)N(CC)C(=O)[C@H](CN)OC ZINC000227348126 640828485 /nfs/dbraw/zinc/82/84/85/640828485.db2.gz UDLPHYMMEUOHKL-BDAKNGLRSA-N 0 3 202.298 0.607 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000227348304 640828694 /nfs/dbraw/zinc/82/86/94/640828694.db2.gz RZWSHXYHGBIODX-UTLUCORTSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)C1CCCC1 ZINC000227347945 640829434 /nfs/dbraw/zinc/82/94/34/640829434.db2.gz JANHGKYBZLOUBM-VIFPVBQESA-N 0 3 200.282 0.361 20 0 BCADHN COc1ncccc1NC(=O)[C@H](CN)OC ZINC000227356969 640830139 /nfs/dbraw/zinc/83/01/39/640830139.db2.gz AQPFWCZOMXHEGK-QMMMGPOBSA-N 0 3 225.248 0.002 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H](C)c1c(C)noc1C ZINC000227390372 640830590 /nfs/dbraw/zinc/83/05/90/640830590.db2.gz NXZUZTWYSUEBMC-RCOVLWMOSA-N 0 3 241.291 0.442 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cnccc1C ZINC000227383588 640831598 /nfs/dbraw/zinc/83/15/98/640831598.db2.gz QMEXMSGVYXLIGN-VIFPVBQESA-N 0 3 209.249 0.302 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H]1CC[C@@H](SC)C1 ZINC000227418668 640832325 /nfs/dbraw/zinc/83/23/25/640832325.db2.gz ZBHZHXVEIMUBRI-YIZRAAEISA-N 0 3 232.349 0.360 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000227408358 640833233 /nfs/dbraw/zinc/83/32/33/640833233.db2.gz GXQWYWZGKQVJPX-GUBZILKMSA-N 0 3 214.309 0.465 20 0 BCADHN C=CCNC(=S)N[C@H]1CCCN(C)C1 ZINC000060431574 640859692 /nfs/dbraw/zinc/85/96/92/640859692.db2.gz SPSCAESCWOKKKU-VIFPVBQESA-N 0 3 213.350 0.731 20 0 BCADHN C[S@](=O)CCNCc1ccc(CO)cc1 ZINC000229182407 640930060 /nfs/dbraw/zinc/93/00/60/640930060.db2.gz GYAPYBMCEDCLQB-HNNXBMFYSA-N 0 3 227.329 0.647 20 0 BCADHN C[S@@](=O)CCNC[C@H](O)c1ccccc1F ZINC000229191668 640931969 /nfs/dbraw/zinc/93/19/69/640931969.db2.gz GUNAEGARZDTZGD-MEDUHNTESA-N 0 3 245.319 0.827 20 0 BCADHN CCn1cncc1CNCCC[S@@](C)=O ZINC000229197630 640932394 /nfs/dbraw/zinc/93/23/94/640932394.db2.gz TVSBPZSNCBNDSJ-OAHLLOKOSA-N 0 3 229.349 0.761 20 0 BCADHN C[C@@H](NC[C@H](O)CO)c1ccsc1 ZINC000061363075 640955533 /nfs/dbraw/zinc/95/55/33/640955533.db2.gz FRUMQWDUTGBNTG-APPZFPTMSA-N 0 3 201.291 0.752 20 0 BCADHN C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)C(=O)[O-] ZINC000062071067 641019828 /nfs/dbraw/zinc/01/98/28/641019828.db2.gz JXZWVLKVPSRTAY-VHSXEESVSA-N 0 3 214.309 0.781 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@]1(C)CCCS1 ZINC000087796582 641047491 /nfs/dbraw/zinc/04/74/91/641047491.db2.gz HMIFKNBUXZLXMD-ONGXEEELSA-N 0 3 246.376 0.752 20 0 BCADHN CCC(CC)[C@H](O)CNC(=O)[C@@H](N)CCOC ZINC000230626274 641074144 /nfs/dbraw/zinc/07/41/44/641074144.db2.gz YOSPXKNQMABQBI-WDEREUQCSA-N 0 3 246.351 0.264 20 0 BCADHN CO[C@@H]1CC[C@H]1N(C)C[C@](C)(O)C(C)=O ZINC000934111758 641074821 /nfs/dbraw/zinc/07/48/21/641074821.db2.gz OOGOXCOEXOAFRW-MXWKQRLJSA-N 0 3 215.293 0.436 20 0 BCADHN CO[C@@H]1CC[C@H]1N(C)CCN1C(=O)CCC1=O ZINC000934116716 641082294 /nfs/dbraw/zinc/08/22/94/641082294.db2.gz NZLCIMHZUNASKO-NXEZZACHSA-N 0 3 240.303 0.245 20 0 BCADHN O=C(CNC[C@H]1CCCO1)NC1CCOCC1 ZINC000062768449 641088921 /nfs/dbraw/zinc/08/89/21/641088921.db2.gz PQFCPHZNSNZNFW-LLVKDONJSA-N 0 3 242.319 0.050 20 0 BCADHN CON1CC[C@H](N[C@H](C)Cc2cccnc2)C1=O ZINC000934225865 641106844 /nfs/dbraw/zinc/10/68/44/641106844.db2.gz FNHRLPGUZDGXHZ-PWSUYJOCSA-N 0 3 249.314 0.765 20 0 BCADHN C[C@@](Cn1cccn1)(N[C@@H]1C=CCCC1)C(N)=O ZINC000934227820 641106916 /nfs/dbraw/zinc/10/69/16/641106916.db2.gz 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644187396 /nfs/dbraw/zinc/18/73/96/644187396.db2.gz XISLMYIAVYBZIS-GMTAPVOTSA-N 0 3 241.335 0.151 20 0 BCADHN Nc1cnccc1CNCCO[C@H]1CCOC1 ZINC000922936576 644194088 /nfs/dbraw/zinc/19/40/88/644194088.db2.gz KIESXHMWXDGNCU-NSHDSACASA-N 0 3 237.303 0.559 20 0 BCADHN FC1(CNCCO[C@H]2CCOC2)CC1 ZINC000922941021 644195448 /nfs/dbraw/zinc/19/54/48/644195448.db2.gz RBTFJORMHUROFW-VIFPVBQESA-N 0 3 203.257 0.884 20 0 BCADHN Cn1nccc1[C@@H](O)CNCC1(F)CC1 ZINC000922974400 644204375 /nfs/dbraw/zinc/20/43/75/644204375.db2.gz OEVHTSAJKJBCOQ-VIFPVBQESA-N 0 3 213.256 0.545 20 0 BCADHN Cn1nccc1[C@@H](O)CNCc1ccncc1 ZINC000922974765 644205287 /nfs/dbraw/zinc/20/52/87/644205287.db2.gz YDRHYCUWUKPPOE-LBPRGKRZSA-N 0 3 232.287 0.638 20 0 BCADHN CCn1cc(CNC[C@H](O)c2ccnn2C)cn1 ZINC000922972320 644209919 /nfs/dbraw/zinc/20/99/19/644209919.db2.gz HGINAMTVIDINKH-LBPRGKRZSA-N 0 3 249.318 0.460 20 0 BCADHN Cc1cc(CN[C@H]2CCc3nnn(C)c3C2)on1 ZINC000922990754 644218387 /nfs/dbraw/zinc/21/83/87/644218387.db2.gz BUCXPELSVOSVNC-VIFPVBQESA-N 0 3 247.302 0.759 20 0 BCADHN CN(C)CCN(C)C(=O)C[C@H]1CCCOC1 ZINC000193423407 644240690 /nfs/dbraw/zinc/24/06/90/644240690.db2.gz VLHGSQHKHOOGLZ-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN C[C@H]1[C@@H](NC(=O)NC[C@@H]2CCCO2)CCN1C ZINC000923193215 644284789 /nfs/dbraw/zinc/28/47/89/644284789.db2.gz HNEFRIFCUPZVBC-DCAQKATOSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@H]1[C@H](NC(=O)NC[C@@H]2CCCO2)CCN1C ZINC000923193216 644285163 /nfs/dbraw/zinc/28/51/63/644285163.db2.gz HNEFRIFCUPZVBC-GARJFASQSA-N 0 3 241.335 0.557 20 0 BCADHN COC/C=C/C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923267384 644303982 /nfs/dbraw/zinc/30/39/82/644303982.db2.gz DQMQGXBVUBSDBP-LXYZTQFVSA-N 0 3 238.331 0.884 20 0 BCADHN CCS(=O)(=O)CCNC[C@@H]1CCC=CO1 ZINC000194367921 644316490 /nfs/dbraw/zinc/31/64/90/644316490.db2.gz DLJKNSNQOLKOMK-JTQLQIEISA-N 0 3 233.333 0.703 20 0 BCADHN CCS(=O)(=O)CCNC[C@H]1CCC=CO1 ZINC000194367937 644318762 /nfs/dbraw/zinc/31/87/62/644318762.db2.gz DLJKNSNQOLKOMK-SNVBAGLBSA-N 0 3 233.333 0.703 20 0 BCADHN Cn1ccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)n1 ZINC000923292889 644328950 /nfs/dbraw/zinc/32/89/50/644328950.db2.gz KTIUOJVEBPWXOA-WDEREUQCSA-N 0 3 248.330 0.729 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)C1=COCCO1 ZINC000194732487 644341430 /nfs/dbraw/zinc/34/14/30/644341430.db2.gz YPXHTFTUGZODOQ-SECBINFHSA-N 0 3 226.276 0.085 20 0 BCADHN CC[C@H](C(=O)N1CC(N(C)C(C)=O)C1)N(C)C ZINC000953452522 644466077 /nfs/dbraw/zinc/46/60/77/644466077.db2.gz PAOABPBWMGXWGT-LLVKDONJSA-N 0 3 241.335 0.016 20 0 BCADHN Cc1cc(N2CCC(C)(O)CC2)nc(N)n1 ZINC000087781007 644501898 /nfs/dbraw/zinc/50/18/98/644501898.db2.gz DXDUBNCERVORKH-UHFFFAOYSA-N 0 3 222.292 0.718 20 0 BCADHN CCC1(C)CCN(CCS(N)(=O)=O)CC1 ZINC000740876338 644562018 /nfs/dbraw/zinc/56/20/18/644562018.db2.gz REHGMMPHTQXNEW-UHFFFAOYSA-N 0 3 234.365 0.787 20 0 BCADHN COCCN(C)CCNC(=O)[C@H](O)C(C)(C)C ZINC000764966305 644659660 /nfs/dbraw/zinc/65/96/60/644659660.db2.gz ADGHULOJSIHHCE-JTQLQIEISA-N 0 3 246.351 0.088 20 0 BCADHN O=C1O[C@@H](CN2CCC[C@@H](O)C2)CC12CCC2 ZINC000248913636 644703104 /nfs/dbraw/zinc/70/31/04/644703104.db2.gz ZBTGHMLEIQNJOP-GHMZBOCLSA-N 0 3 239.315 0.929 20 0 BCADHN C[C@@H]1CCN(CCC2OCCO2)[C@@H](C(N)=O)C1 ZINC000249538262 644725863 /nfs/dbraw/zinc/72/58/63/644725863.db2.gz DCINVEFVMCBGEC-NXEZZACHSA-N 0 3 242.319 0.335 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCc1ccccc1 ZINC000095560389 644756734 /nfs/dbraw/zinc/75/67/34/644756734.db2.gz FBKARIWCTSBDBF-NSHDSACASA-N 0 3 221.304 0.192 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H](O)c1ccco1 ZINC000303222310 644810570 /nfs/dbraw/zinc/81/05/70/644810570.db2.gz KQKPYPKEBFPBEZ-JTQLQIEISA-N 0 3 240.303 0.769 20 0 BCADHN C[C@@H]1C[C@H]1c1noc(C[C@H]2CNCCO2)n1 ZINC000252130351 644836251 /nfs/dbraw/zinc/83/62/51/644836251.db2.gz LXMKZRIATNICNR-HRDYMLBCSA-N 0 3 223.276 0.724 20 0 BCADHN c1cnnc(NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000252513500 644860319 /nfs/dbraw/zinc/86/03/19/644860319.db2.gz UFTCNUYWTOGWLW-WDEREUQCSA-N 0 3 234.303 0.752 20 0 BCADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](N)CC1CC1 ZINC000304340405 644893812 /nfs/dbraw/zinc/89/38/12/644893812.db2.gz ITWQYPRPEUJCAW-CBAPKCEASA-N 0 3 228.292 0.182 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCCc1cscn1 ZINC000304377530 644898112 /nfs/dbraw/zinc/89/81/12/644898112.db2.gz PXQHYOCFTDUXTL-SNVBAGLBSA-N 0 3 239.344 0.929 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)CC2CC2)[C@H](C)CO1 ZINC000304383675 644898618 /nfs/dbraw/zinc/89/86/18/644898618.db2.gz RGZPFOIDJKSCIR-KKZNHRDASA-N 0 3 226.320 0.750 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000304381573 644898705 /nfs/dbraw/zinc/89/87/05/644898705.db2.gz QWGQTYVSLPZJQZ-HBNTYKKESA-N 0 3 226.320 0.534 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000304398231 644899831 /nfs/dbraw/zinc/89/98/31/644899831.db2.gz VHYYRMBLLHYOED-OUAUKWLOSA-N 0 3 224.304 0.504 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1NC[C@H]1CCCS1(=O)=O ZINC000252767553 644902801 /nfs/dbraw/zinc/90/28/01/644902801.db2.gz JQLXHYUROXVQGQ-KXUCPTDWSA-N 0 3 247.360 0.313 20 0 BCADHN C[C@@H](NC(=O)[C@H](N)CC1CC1)c1cn[nH]c1 ZINC000304419699 644905449 /nfs/dbraw/zinc/90/54/49/644905449.db2.gz ZMJLYEURKHJHLT-GMSGAONNSA-N 0 3 222.292 0.714 20 0 BCADHN COC(=O)/C(C)=C/CN[C@](C)(C(N)=O)C(C)C ZINC000304477584 644909219 /nfs/dbraw/zinc/90/92/19/644909219.db2.gz APQYVMKVRJMCBI-LZGFCCKTSA-N 0 3 242.319 0.595 20 0 BCADHN COc1cc(NC(=O)[C@H](CN)OC)ccn1 ZINC000304552513 644915729 /nfs/dbraw/zinc/91/57/29/644915729.db2.gz KFGYWFAYSKTFSJ-QMMMGPOBSA-N 0 3 225.248 0.002 20 0 BCADHN COCCN(CCCC1CC1)[C@@H](C)C(N)=O ZINC000813337062 644939221 /nfs/dbraw/zinc/93/92/21/644939221.db2.gz WDDKEPOEHDSJNH-JTQLQIEISA-N 0 3 228.336 0.999 20 0 BCADHN COCCN(CCCC1CC1)[C@H](C)C(N)=O ZINC000813337263 644939839 /nfs/dbraw/zinc/93/98/39/644939839.db2.gz WDDKEPOEHDSJNH-SNVBAGLBSA-N 0 3 228.336 0.999 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)n1cc([C@H](C)N)nn1 ZINC000253150299 644940200 /nfs/dbraw/zinc/94/02/00/644940200.db2.gz FDCYYCSXUQEZAD-CIUDSAMLSA-N 0 3 239.323 0.774 20 0 BCADHN C[C@@H]1CN(CC2OCCO2)C[C@H](C)N1C ZINC000815178710 644952094 /nfs/dbraw/zinc/95/20/94/644952094.db2.gz MKRMJAOXXPDJHY-AOOOYVTPSA-N 0 3 214.309 0.384 20 0 BCADHN CC[C@@H](O)CNC[C@H](OC)C(F)(F)F ZINC000819067860 645003922 /nfs/dbraw/zinc/00/39/22/645003922.db2.gz JRAVYGRIYBAKEV-RQJHMYQMSA-N 0 3 215.215 0.924 20 0 BCADHN CN1CCC[C@H](NC(=O)/C=C\[C@H]2CCCO2)C1 ZINC000819247127 645008830 /nfs/dbraw/zinc/00/88/30/645008830.db2.gz JTAAGAMBYQNFIJ-QHDQMSKJSA-N 0 3 238.331 0.932 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)/C=C\C(C)(C)C ZINC000819824903 645020688 /nfs/dbraw/zinc/02/06/88/645020688.db2.gz NRHWBGCWQMDJIW-GFVADAIESA-N 0 3 228.336 0.627 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1cncc(C=O)c1 ZINC000822286878 645040587 /nfs/dbraw/zinc/04/05/87/645040587.db2.gz LAGVBVQCBPLKNM-UHFFFAOYSA-N 0 3 249.314 0.964 20 0 BCADHN Cc1cc(CN(C)CC2CN(C)C2)n(C)n1 ZINC000827125527 645074421 /nfs/dbraw/zinc/07/44/21/645074421.db2.gz LTWDNLMTYCEZCY-UHFFFAOYSA-N 0 3 222.336 0.722 20 0 BCADHN C[C@]12COC[C@@H]1CN(Cc1cncnc1)C2 ZINC000827280307 645076155 /nfs/dbraw/zinc/07/61/55/645076155.db2.gz DXGUDGHAEMVBAY-RYUDHWBXSA-N 0 3 219.288 0.945 20 0 BCADHN C[C@@H](O)CCN1CCCC[C@H]1C1OCCO1 ZINC000827669014 645083156 /nfs/dbraw/zinc/08/31/56/645083156.db2.gz WQWLFUBXHOXUFE-MNOVXSKESA-N 0 3 229.320 0.985 20 0 BCADHN CC(C)N(CC[S@@](C)=O)[C@@H]1CCOC1 ZINC000828559945 645105500 /nfs/dbraw/zinc/10/55/00/645105500.db2.gz HTNBKFYZBUJCIW-QMTHXVAHSA-N 0 3 219.350 0.864 20 0 BCADHN Cc1ccccc1[C@H](O)CN1CC(C)(C(N)=O)C1 ZINC000829054654 645106438 /nfs/dbraw/zinc/10/64/38/645106438.db2.gz UFCZSVRGMCQWDO-GFCCVEGCSA-N 0 3 248.326 0.836 20 0 BCADHN CC(C)CONC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000841862744 645232052 /nfs/dbraw/zinc/23/20/52/645232052.db2.gz BCSDUCGJKHPGAK-VHSXEESVSA-N 0 3 229.324 0.966 20 0 BCADHN OCC(CO)NC[C@@H](O)c1cccc(Cl)c1 ZINC000843060551 645257947 /nfs/dbraw/zinc/25/79/47/645257947.db2.gz ZAUCXAQMLNMFBA-LLVKDONJSA-N 0 3 245.706 0.316 20 0 BCADHN CCN1CC[C@H](N[C@@H](C)c2cnn(C)n2)C1 ZINC000926593611 645294462 /nfs/dbraw/zinc/29/44/62/645294462.db2.gz CSMMHUCDLGXZCX-UWVGGRQHSA-N 0 3 223.324 0.560 20 0 BCADHN CCN1CC[C@H](N[C@@H](C)c2cc(CO)on2)C1 ZINC000926594816 645305118 /nfs/dbraw/zinc/30/51/18/645305118.db2.gz LKGCHXLZKLSZFZ-UWVGGRQHSA-N 0 3 239.319 0.912 20 0 BCADHN C[C@H](NCC1(N(C)C)CC1)c1cc(CO)on1 ZINC000926598898 645307637 /nfs/dbraw/zinc/30/76/37/645307637.db2.gz BUSOVJSWJGYLSU-VIFPVBQESA-N 0 3 239.319 0.912 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1N[C@H]1C[C@@](C)(O)C1 ZINC000926601848 645308956 /nfs/dbraw/zinc/30/89/56/645308956.db2.gz TXYCVMHYRWWSRN-DKCNOQQISA-N 0 3 212.293 0.014 20 0 BCADHN CN(CC(F)F)C1CCN(C(=O)CN)CC1 ZINC000844187093 645315871 /nfs/dbraw/zinc/31/58/71/645315871.db2.gz ANOOOGISNPJKCY-UHFFFAOYSA-N 0 3 235.278 0.133 20 0 BCADHN COC(=O)CC1(NC/C=C(\C)C(=O)OC)CC1 ZINC000844384554 645324283 /nfs/dbraw/zinc/32/42/83/645324283.db2.gz CXCPFXCVCYIYKS-RUDMXATFSA-N 0 3 241.287 0.791 20 0 BCADHN CON(C)CCN[C@H]1CCC1(OC)OC ZINC000926679234 645351996 /nfs/dbraw/zinc/35/19/96/645351996.db2.gz SBQONYLGKMACET-VIFPVBQESA-N 0 3 218.297 0.221 20 0 BCADHN COCc1n[nH]c(CN[C@@H](C)C(C)(C)CO)n1 ZINC000926694105 645363835 /nfs/dbraw/zinc/36/38/35/645363835.db2.gz PMOQCECBRBYJFZ-QMMMGPOBSA-N 0 3 242.323 0.448 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NCCc1ccoc1 ZINC000926700805 645366994 /nfs/dbraw/zinc/36/69/94/645366994.db2.gz IHRPDCHBKAVEBJ-SNVBAGLBSA-N 0 3 222.288 0.936 20 0 BCADHN CCCN1CC[C@H](N[C@H](C)c2cnn(C)n2)C1 ZINC000926717102 645382129 /nfs/dbraw/zinc/38/21/29/645382129.db2.gz ZOETYKBZAUWPGC-MNOVXSKESA-N 0 3 237.351 0.950 20 0 BCADHN CO[C@@]1(C)C[C@H]1N[C@H]1C(=O)NCC1(C)C ZINC000926728082 645389385 /nfs/dbraw/zinc/38/93/85/645389385.db2.gz RJOKXTKTBLWBJC-FYBVGQRMSA-N 0 3 212.293 0.278 20 0 BCADHN C[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1cn(C)cn1 ZINC000926753899 645404924 /nfs/dbraw/zinc/40/49/24/645404924.db2.gz CAIJPVUTFRBKNA-CIUDSAMLSA-N 0 3 222.292 0.335 20 0 BCADHN C[C@H](NCCN1CC[C@@H](O)C1)c1cn(C)cn1 ZINC000926766826 645412652 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CCC1(CC)CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702339725 712047981 /nfs/dbraw/zinc/04/79/81/712047981.db2.gz FUONHVZYHYLXLX-NSHDSACASA-N 0 3 241.379 0.914 20 0 BCADHN Cc1ccc(F)c(NC(=O)[C@@H](N)CN(C)C)c1 ZINC000702374591 712049138 /nfs/dbraw/zinc/04/91/38/712049138.db2.gz AXYZYGAEWVOYKQ-JTQLQIEISA-N 0 3 239.294 0.962 20 0 BCADHN CC[C@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702377266 712049369 /nfs/dbraw/zinc/04/93/69/712049369.db2.gz FIBHEGSMUJLJBF-UWVGGRQHSA-N 0 3 213.325 0.134 20 0 BCADHN COCC[C@H](N)C(=O)N[C@]1(C)CC1(C)C ZINC000702414293 712051491 /nfs/dbraw/zinc/05/14/91/712051491.db2.gz VFZYVPZOPKMXCA-GZMMTYOYSA-N 0 3 214.309 0.655 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000702422543 712052341 /nfs/dbraw/zinc/05/23/41/712052341.db2.gz DPLMZTIZGRTLHV-YFKTTZPYSA-N 0 3 239.363 0.428 20 0 BCADHN CO[C@@H](CN)C(=O)NC1CCC(OC)CC1 ZINC000703789034 712088083 /nfs/dbraw/zinc/08/80/83/712088083.db2.gz IIOVVWFCSDDJIH-RTBKNWGFSA-N 0 3 230.308 0.034 20 0 BCADHN CCN1CC[C@@H](NC(=O)O[C@@H](C)COC)C1 ZINC000704439448 712107998 /nfs/dbraw/zinc/10/79/98/712107998.db2.gz AEFYFRORYZMIOI-VHSXEESVSA-N 0 3 230.308 0.842 20 0 BCADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](N)CCC(C)C ZINC000704444859 712108334 /nfs/dbraw/zinc/10/83/34/712108334.db2.gz TZMBNTNCIOBGDC-ZJUUUORDSA-N 0 3 244.335 0.818 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC[C@@H]1CCSC1 ZINC000704893159 712120991 /nfs/dbraw/zinc/12/09/91/712120991.db2.gz OMTWNNGRKPAMNN-ZJUUUORDSA-N 0 3 245.392 0.135 20 0 BCADHN CN(CCO)CCN(C)C(=O)[C@H]1CC12CC2 ZINC000705189208 712125483 /nfs/dbraw/zinc/12/54/83/712125483.db2.gz QMKBNLFAPAPXQI-SNVBAGLBSA-N 0 3 226.320 0.169 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCCC1CCCC1 ZINC000705419398 712131471 /nfs/dbraw/zinc/13/14/71/712131471.db2.gz LFSNEZMVCXAUBK-LBPRGKRZSA-N 0 3 241.379 0.962 20 0 BCADHN OC[C@H]1CN(CCC(F)(F)F)C[C@H]1CO ZINC000705334904 712129443 /nfs/dbraw/zinc/12/94/43/712129443.db2.gz VZDGWEJBWFKHAS-OCAPTIKFSA-N 0 3 227.226 0.471 20 0 BCADHN Cc1noc(CN(C)C(=O)[C@@H](N)CC2CC2)n1 ZINC000706706130 712152641 /nfs/dbraw/zinc/15/26/41/712152641.db2.gz DZPRADLDXNZNMH-VIFPVBQESA-N 0 3 238.291 0.464 20 0 BCADHN C[C@H]1CN(c2ccncc2CO)C[C@H]1O ZINC000387863584 712147572 /nfs/dbraw/zinc/14/75/72/712147572.db2.gz IBBBSSDOBDMMNU-GZMMTYOYSA-N 0 3 208.261 0.391 20 0 BCADHN COCC[C@H](N)C(=O)N1CCOCC12CCC2 ZINC000707484328 712172476 /nfs/dbraw/zinc/17/24/76/712172476.db2.gz IYWOWVBYMBRYAX-JTQLQIEISA-N 0 3 242.319 0.132 20 0 BCADHN CCS(=O)(=O)CCNC[C@@H]1CC(C)(C)CO1 ZINC000708357305 712191038 /nfs/dbraw/zinc/19/10/38/712191038.db2.gz XXPUKGZAHXYNAN-JTQLQIEISA-N 0 3 249.376 0.826 20 0 BCADHN CCN1C[C@@H](CN(CCO)C2CC2)OC1=O ZINC000709772750 712221510 /nfs/dbraw/zinc/22/15/10/712221510.db2.gz LQVQTCNWAQPTRH-JTQLQIEISA-N 0 3 228.292 0.284 20 0 BCADHN CC(=O)N1CC[C@@H]2[C@@H](CCN2CCF)C1 ZINC001036610750 712224214 /nfs/dbraw/zinc/22/42/14/712224214.db2.gz SXIVARJDRWJIRL-WDEREUQCSA-N 0 3 214.284 0.899 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@@H]1COC[C@@H]1C ZINC000710950578 712267384 /nfs/dbraw/zinc/26/73/84/712267384.db2.gz QCGWCRYUXRCGEI-LPEHRKFASA-N 0 3 214.309 0.526 20 0 BCADHN COC[C@H](CCNc1cc(C)nc(N)n1)OC ZINC000710668724 712265610 /nfs/dbraw/zinc/26/56/10/712265610.db2.gz FBPQYATWUXAVGM-VIFPVBQESA-N 0 3 240.307 0.831 20 0 BCADHN CC[C@H]1C[C@H](N[C@@H]2CS(=O)(=O)C[C@@H]2C)CO1 ZINC000711785658 712329958 /nfs/dbraw/zinc/32/99/58/712329958.db2.gz OVDYHCOVMJUSCE-XWLWVQCSSA-N 0 3 247.360 0.577 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC000711858635 712335490 /nfs/dbraw/zinc/33/54/90/712335490.db2.gz RVVXWGILAFKZLZ-DVVUODLYSA-N 0 3 226.320 0.655 20 0 BCADHN C[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)F)C1 ZINC001079352083 712348404 /nfs/dbraw/zinc/34/84/04/712348404.db2.gz IBKKLEYAJAJCNR-OPRDCNLKSA-N 0 3 246.326 0.552 20 0 BCADHN C[C@H](NCc1cnnn1C)[C@@]1(C)CCCO1 ZINC000378866759 712365247 /nfs/dbraw/zinc/36/52/47/712365247.db2.gz CLNHZRAPJXYXTO-GXSJLCMTSA-N 0 3 224.308 0.862 20 0 BCADHN C[C@@H](NCc1cnnn1C)[C@@]1(C)CCCO1 ZINC000378866761 712365577 /nfs/dbraw/zinc/36/55/77/712365577.db2.gz CLNHZRAPJXYXTO-MWLCHTKSSA-N 0 3 224.308 0.862 20 0 BCADHN CN(C)CCONC(=O)c1ccncc1Cl ZINC000379182323 712371075 /nfs/dbraw/zinc/37/10/75/712371075.db2.gz SGGRNAAWYGEULO-UHFFFAOYSA-N 0 3 243.694 0.958 20 0 BCADHN CCNC(=O)CNC[C@H]1CC1(Cl)Cl ZINC000379375403 712379235 /nfs/dbraw/zinc/37/92/35/712379235.db2.gz PJLYLDHVXGVSTB-ZCFIWIBFSA-N 0 3 225.119 0.906 20 0 BCADHN Cc1cnn(C)c1CN[C@H]1CC12CC(O)C2 ZINC000724988410 712393057 /nfs/dbraw/zinc/39/30/57/712393057.db2.gz ZOHRTQDLMSONGN-ZYXZCXLHSA-N 0 3 221.304 0.732 20 0 BCADHN CCCn1cc(CNCCC2CC(O)C2)nn1 ZINC000714433031 712486576 /nfs/dbraw/zinc/48/65/76/712486576.db2.gz IINFTIOMXGSCLS-UHFFFAOYSA-N 0 3 238.335 0.939 20 0 BCADHN CS(=O)(=O)CCNC[C@H]1CC[C@@H](C2CC2)O1 ZINC000715398061 712516148 /nfs/dbraw/zinc/51/61/48/712516148.db2.gz YNBKSEILOUNKHI-MNOVXSKESA-N 0 3 247.360 0.578 20 0 BCADHN COCC[C@@H](C)N[C@H](C)c1cn(C)nn1 ZINC000715896351 712540760 /nfs/dbraw/zinc/54/07/60/712540760.db2.gz ZHLJOWHMZBEPMO-RKDXNWHRSA-N 0 3 212.297 0.891 20 0 BCADHN CN(C)C[C@H](CO)Nc1ncnc2c1CCC2 ZINC000716752366 712572577 /nfs/dbraw/zinc/57/25/77/712572577.db2.gz JIXUQRYPSZZLBL-SECBINFHSA-N 0 3 236.319 0.300 20 0 BCADHN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNS(=O)(=O)C1CNC1 ZINC000717034289 712615884 /nfs/dbraw/zinc/61/58/84/712615884.db2.gz LHXBSDGEVNJKOZ-YKDSUIRESA-N 0 3 244.360 0.170 20 0 BCADHN CC1(F)CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923668059 712631838 /nfs/dbraw/zinc/63/18/38/712631838.db2.gz RCXPDGVRWJWPRC-UHFFFAOYSA-N 0 3 236.312 0.112 20 0 BCADHN Cc1ccc(F)cc1CNC[C@H](O)[C@@H](C)O ZINC000717309920 712646165 /nfs/dbraw/zinc/64/61/65/712646165.db2.gz VRSUAJICRVGKOP-SKDRFNHKSA-N 0 3 227.279 0.965 20 0 BCADHN COc1cccc(CNC[C@@H](O)[C@H](C)O)c1 ZINC000717308889 712646260 /nfs/dbraw/zinc/64/62/60/712646260.db2.gz RAKLDFWPWXXPCM-JOYOIKCWSA-N 0 3 225.288 0.527 20 0 BCADHN COc1ccccc1CNC[C@H](O)[C@@H](C)O ZINC000717309475 712646272 /nfs/dbraw/zinc/64/62/72/712646272.db2.gz UJGPWSPRUUJHOP-KOLCDFICSA-N 0 3 225.288 0.527 20 0 BCADHN C[C@@H](O)[C@H](O)CN[C@@H](C)c1cncc(F)c1 ZINC000717345268 712649146 /nfs/dbraw/zinc/64/91/46/712649146.db2.gz ZOJNOMQWHVPANH-VAOFZXAKSA-N 0 3 228.267 0.613 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1ccc(F)c(F)c1 ZINC000717352181 712650092 /nfs/dbraw/zinc/65/00/92/712650092.db2.gz GRTFZDRIBPMRPW-CPCISQLKSA-N 0 3 231.242 0.796 20 0 BCADHN CCn1nc(C)c(CNC[C@H](O)[C@@H](C)O)c1C ZINC000717361163 712652229 /nfs/dbraw/zinc/65/22/29/712652229.db2.gz SZPUJMOUCDAQOP-PWSUYJOCSA-N 0 3 241.335 0.351 20 0 BCADHN CCn1nc(C)c(CNC[C@@H](O)[C@@H](C)O)c1C ZINC000717361164 712652309 /nfs/dbraw/zinc/65/23/09/712652309.db2.gz SZPUJMOUCDAQOP-ZYHUDNBSSA-N 0 3 241.335 0.351 20 0 BCADHN COc1ccc(CNC[C@H](O)[C@H](C)O)cc1F ZINC000717404038 712655709 /nfs/dbraw/zinc/65/57/09/712655709.db2.gz LCZWIYRVVKUKFC-KWQFWETISA-N 0 3 243.278 0.666 20 0 BCADHN Cn1cnc(CN[C@@H](CO)C2CCC2)c1 ZINC000717593048 712661398 /nfs/dbraw/zinc/66/13/98/712661398.db2.gz HVLBWNQKLUOTFB-NSHDSACASA-N 0 3 209.293 0.671 20 0 BCADHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccns1 ZINC000717705055 712665673 /nfs/dbraw/zinc/66/56/73/712665673.db2.gz PURUUPIGENYLHR-NKWVEPMBSA-N 0 3 247.345 0.172 20 0 BCADHN CCn1nccc1CNC1CC(CC(N)=O)C1 ZINC000718441350 712762056 /nfs/dbraw/zinc/76/20/56/712762056.db2.gz UBHRFIIGMYRCBW-UHFFFAOYSA-N 0 3 236.319 0.647 20 0 BCADHN CC(C)OC[C@H](O)CNCc1ccccn1 ZINC000037850640 712775679 /nfs/dbraw/zinc/77/56/79/712775679.db2.gz JSSVRXCITSGJLN-GFCCVEGCSA-N 0 3 224.304 0.957 20 0 BCADHN C[C@H]1CCN(C(=O)c2c(CN)cnn2C)[C@H]1C ZINC000719205083 712800218 /nfs/dbraw/zinc/80/02/18/712800218.db2.gz MJWHYAWDVQMZES-IUCAKERBSA-N 0 3 236.319 0.749 20 0 BCADHN Cn1ncc(CN)c1C(=O)NC[C@@H]1CC1(C)C ZINC000719243482 712801155 /nfs/dbraw/zinc/80/11/55/712801155.db2.gz HQTISXFNQFKIEY-VIFPVBQESA-N 0 3 236.319 0.655 20 0 BCADHN C[C@H]1CN(C(=O)c2c(CN)cnn2C)C[C@H]1C ZINC000719244394 712801373 /nfs/dbraw/zinc/80/13/73/712801373.db2.gz MDHUZSFAVOQMHQ-DTORHVGOSA-N 0 3 236.319 0.607 20 0 BCADHN CO[C@]1(CNCc2cnnn2C)CCSC1 ZINC000719285858 712803553 /nfs/dbraw/zinc/80/35/53/712803553.db2.gz XPZCPKKETXPTIO-JTQLQIEISA-N 0 3 242.348 0.427 20 0 BCADHN COC[C@H](C)NC(=S)N[C@@H]1CCN(C)[C@H]1C ZINC000719364678 712805853 /nfs/dbraw/zinc/80/58/53/712805853.db2.gz FZIAOEFZZRHPBE-LPEHRKFASA-N 0 3 245.392 0.578 20 0 BCADHN C[C@@H]1[C@H](Nc2nccn(C)c2=O)CCN1C ZINC000719603290 712816001 /nfs/dbraw/zinc/81/60/01/712816001.db2.gz SCQYUUOSIBTHHN-RKDXNWHRSA-N 0 3 222.292 0.285 20 0 BCADHN CNCC(=O)Nc1nc(C(F)(F)F)c[nH]1 ZINC000381510463 710649312 /nfs/dbraw/zinc/64/93/12/710649312.db2.gz VZEVEVYYRKXBLX-UHFFFAOYSA-N 0 3 222.170 0.586 20 0 BCADHN CS(=O)(=O)NC1CC(NCc2ccoc2)C1 ZINC000381553631 710654662 /nfs/dbraw/zinc/65/46/62/710654662.db2.gz NTAIMOQRHWFEQM-UHFFFAOYSA-N 0 3 244.316 0.449 20 0 BCADHN Cc1nnc(CNc2cc(C)nc(N)n2)s1 ZINC000381644784 710665154 /nfs/dbraw/zinc/66/51/54/710665154.db2.gz QCLDPYGYKHYJAN-UHFFFAOYSA-N 0 3 236.304 0.392 20 0 BCADHN CC(C)CN1CC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001038224439 710681031 /nfs/dbraw/zinc/68/10/31/710681031.db2.gz HWNDSAKIYMNFNG-SNVBAGLBSA-N 0 3 236.319 0.870 20 0 BCADHN Cn1cncc1C(=O)NC[C@H]1CCN1CC1CC1 ZINC001038470765 710687929 /nfs/dbraw/zinc/68/79/29/710687929.db2.gz OKAZDNCHFUBDPP-LLVKDONJSA-N 0 3 248.330 0.634 20 0 BCADHN CC(C)CN1CC[C@@H]1CNC(=O)c1ccnnc1 ZINC001038732630 710703441 /nfs/dbraw/zinc/70/34/41/710703441.db2.gz MCRRYFAUTPIDJQ-GFCCVEGCSA-N 0 3 248.330 0.937 20 0 BCADHN Cc1c[nH]c(C(=O)NC[C@H]2CCN2CC2CC2)n1 ZINC001038792667 710706138 /nfs/dbraw/zinc/70/61/38/710706138.db2.gz LRUSJJSXIKCKKR-LLVKDONJSA-N 0 3 248.330 0.932 20 0 BCADHN CCCn1cc(NC(=O)[C@@H](N)CN(C)C)cn1 ZINC000722368825 710712720 /nfs/dbraw/zinc/71/27/20/710712720.db2.gz ZWAXEHZRXBWYSU-JTQLQIEISA-N 0 3 239.323 0.121 20 0 BCADHN CCC[C@@]1(NCCS(C)(=O)=O)CCOC1 ZINC000381975204 710761540 /nfs/dbraw/zinc/76/15/40/710761540.db2.gz AAWGAUIAHJHSTG-SNVBAGLBSA-N 0 3 235.349 0.580 20 0 BCADHN CN(C)CCONC(=O)c1ccnc(F)c1 ZINC000382080624 710773175 /nfs/dbraw/zinc/77/31/75/710773175.db2.gz IESOOPMRAMDGLM-UHFFFAOYSA-N 0 3 227.239 0.444 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)CC[C@@H]1CCCO1 ZINC000382083297 710775515 /nfs/dbraw/zinc/77/55/15/710775515.db2.gz IZCOUORVDNGWJA-JTQLQIEISA-N 0 3 230.308 0.555 20 0 BCADHN CN(C)CCONC(=O)C1CCCC1 ZINC000382137326 710799044 /nfs/dbraw/zinc/79/90/44/710799044.db2.gz YUOMNYZWLPAQHE-UHFFFAOYSA-N 0 3 200.282 0.786 20 0 BCADHN CN(C(=O)Cc1c[nH]cn1)C1CN(CCF)C1 ZINC001043976754 710815857 /nfs/dbraw/zinc/81/58/57/710815857.db2.gz XTLXDVCBMXYUMW-UHFFFAOYSA-N 0 3 240.282 0.064 20 0 BCADHN COCCN1CC[C@@](C)(NC(=O)C2CC2)C1 ZINC001046091853 710847780 /nfs/dbraw/zinc/84/77/80/710847780.db2.gz DGYNBDAQBZMTBH-GFCCVEGCSA-N 0 3 226.320 0.623 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cn[nH]c2)C1 ZINC001046161727 710853292 /nfs/dbraw/zinc/85/32/92/710853292.db2.gz AXDUVCDLNZEDJO-NSHDSACASA-N 0 3 222.292 0.624 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2ccnn2C)C1 ZINC001046190155 710854740 /nfs/dbraw/zinc/85/47/40/710854740.db2.gz RWHHJZMHPHNPDZ-GFCCVEGCSA-N 0 3 236.319 0.634 20 0 BCADHN C[C@]1(NC(=O)C2CC=CC2)CCN(CCO)C1 ZINC001046205771 710854881 /nfs/dbraw/zinc/85/48/81/710854881.db2.gz CXQCKTLRVYSGSD-ZDUSSCGKSA-N 0 3 238.331 0.526 20 0 BCADHN CON(C)C(=O)CN[C@@H]1CS[C@@H](C)C1 ZINC000397467570 710908602 /nfs/dbraw/zinc/90/86/02/710908602.db2.gz NYLPSLOEDNWANK-YUMQZZPRSA-N 0 3 218.322 0.490 20 0 BCADHN CC(C)[C@@H](N)c1cn(Cc2cnn(C)n2)nn1 ZINC000383810326 710946221 /nfs/dbraw/zinc/94/62/21/710946221.db2.gz VHLYIHDMSXEUMT-SNVBAGLBSA-N 0 3 235.295 0.111 20 0 BCADHN COCC(=O)N1C[C@@H](C)[C@H](NCCF)C1 ZINC001054302107 710926026 /nfs/dbraw/zinc/92/60/26/710926026.db2.gz SVWZXJYJZDRSCG-RKDXNWHRSA-N 0 3 218.272 0.039 20 0 BCADHN C[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1NCCF ZINC001054605713 710939290 /nfs/dbraw/zinc/93/92/90/710939290.db2.gz ICMXBNAIFGZYOJ-UWVGGRQHSA-N 0 3 246.326 0.553 20 0 BCADHN CC(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001051277330 710955534 /nfs/dbraw/zinc/95/55/34/710955534.db2.gz QGRWZKUALIJRHA-UHFFFAOYSA-N 0 3 248.326 0.673 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@H](NC(C)=O)CC1 ZINC001052130853 710960033 /nfs/dbraw/zinc/96/00/33/710960033.db2.gz DSWXAZCTSLDFBE-QWRGUYRKSA-N 0 3 241.335 0.241 20 0 BCADHN CC[N@@H+]1CCC[C@H](NC(=O)c2cnn[n-]2)CC1 ZINC001052519730 710965394 /nfs/dbraw/zinc/96/53/94/710965394.db2.gz AKANSXQZVBXGFX-VIFPVBQESA-N 0 3 237.307 0.409 20 0 BCADHN CC[N@H+]1CCC[C@H](NC(=O)c2cnn[n-]2)CC1 ZINC001052519730 710965396 /nfs/dbraw/zinc/96/53/96/710965396.db2.gz AKANSXQZVBXGFX-VIFPVBQESA-N 0 3 237.307 0.409 20 0 BCADHN C[N@@H+]1CC[C@]2(CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC000383937110 710986435 /nfs/dbraw/zinc/98/64/35/710986435.db2.gz UJBPUNGDTVDPDU-LBPRGKRZSA-N 0 3 234.303 0.714 20 0 BCADHN C[N@H+]1CC[C@]2(CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC000383937110 710986437 /nfs/dbraw/zinc/98/64/37/710986437.db2.gz UJBPUNGDTVDPDU-LBPRGKRZSA-N 0 3 234.303 0.714 20 0 BCADHN COCC[C@H](N)C(=O)N1CCCOC(C)(C)C1 ZINC000384129022 710989332 /nfs/dbraw/zinc/98/93/32/710989332.db2.gz JEUJPCNDVPKZJN-JTQLQIEISA-N 0 3 244.335 0.378 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000384877305 710997871 /nfs/dbraw/zinc/99/78/71/710997871.db2.gz JFZSVGTUBRXAEJ-AATLWQCWSA-N 0 3 230.308 0.032 20 0 BCADHN C[C@@H](C[C@H]1CCC(=O)N1)NCc1cc[nH]n1 ZINC000380675883 712902260 /nfs/dbraw/zinc/90/22/60/712902260.db2.gz DHILZBBCAIMZKJ-DTWKUNHWSA-N 0 3 222.292 0.557 20 0 BCADHN CC[C@H](Nc1cc(C)nc(N)n1)[C@@H](C)O ZINC000386690210 711035093 /nfs/dbraw/zinc/03/50/93/711035093.db2.gz KGHMZMBJMXSOQS-SFYZADRCSA-N 0 3 210.281 0.191 20 0 BCADHN COC(=O)/C(C)=C/CN1C[C@H](O)[C@@H](C)C1 ZINC000388252717 711056394 /nfs/dbraw/zinc/05/63/94/711056394.db2.gz VOZFJODRVSTZJD-DQRKKKBRSA-N 0 3 213.277 0.418 20 0 BCADHN CCOC(=O)/C=C\CN(CC)CCO ZINC000388962714 711070794 /nfs/dbraw/zinc/07/07/94/711070794.db2.gz LAXKHHUHMJFEIB-WAYWQWQTSA-N 0 3 201.266 0.420 20 0 BCADHN CCCN1CC[C@H](NCc2cnn(C)n2)C1 ZINC000389842934 711092232 /nfs/dbraw/zinc/09/22/32/711092232.db2.gz YXCYKDQJKRHXLP-JTQLQIEISA-N 0 3 223.324 0.389 20 0 BCADHN CO[C@H](CN[C@H](C)CC(N)=O)C(F)(F)F ZINC000389873808 711094812 /nfs/dbraw/zinc/09/48/12/711094812.db2.gz KNLDVVMNRWJMBR-PHDIDXHHSA-N 0 3 228.214 0.417 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@@H]1CCN(C(C)C)C1 ZINC000390184345 711107389 /nfs/dbraw/zinc/10/73/89/711107389.db2.gz RWUQRWQGBAUSEZ-SNVBAGLBSA-N 0 3 236.319 0.931 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@H]1CCN(C(C)C)C1 ZINC000390184338 711107517 /nfs/dbraw/zinc/10/75/17/711107517.db2.gz RWUQRWQGBAUSEZ-JTQLQIEISA-N 0 3 236.319 0.931 20 0 BCADHN Cc1cc(NC[C@@](C)(O)C(C)C)nc(N)n1 ZINC000390205423 711108359 /nfs/dbraw/zinc/10/83/59/711108359.db2.gz SFVQYVFVLQVVOQ-LLVKDONJSA-N 0 3 224.308 0.438 20 0 BCADHN Cc1cc(NC[C@](C)(O)C(C)C)nc(N)n1 ZINC000390205424 711109211 /nfs/dbraw/zinc/10/92/11/711109211.db2.gz SFVQYVFVLQVVOQ-NSHDSACASA-N 0 3 224.308 0.438 20 0 BCADHN CCn1cc(CNc2cc(C)nc(N)n2)cn1 ZINC000390309159 711113255 /nfs/dbraw/zinc/11/32/55/711113255.db2.gz NHUPSDJOBCRHPH-UHFFFAOYSA-N 0 3 232.291 0.448 20 0 BCADHN COC(=O)[C@H]1[C@H](CNC2(CO)CC2)C1(F)F ZINC000390448170 711117754 /nfs/dbraw/zinc/11/77/54/711117754.db2.gz YLJYEXJSEHRYER-NKWVEPMBSA-N 0 3 235.230 0.155 20 0 BCADHN COC(=O)[C@@H]1[C@H](CNC2(CO)CC2)C1(F)F ZINC000390448159 711118107 /nfs/dbraw/zinc/11/81/07/711118107.db2.gz YLJYEXJSEHRYER-BQBZGAKWSA-N 0 3 235.230 0.155 20 0 BCADHN CC(C)c1nc(CN[C@@H](CO)C2CC2)n[nH]1 ZINC000390540996 711124262 /nfs/dbraw/zinc/12/42/62/711124262.db2.gz LJROWJFQIYPPFO-VIFPVBQESA-N 0 3 224.308 0.789 20 0 BCADHN CCC[C@H](CNCCS(=O)(=O)CC)OC ZINC000393487423 711160247 /nfs/dbraw/zinc/16/02/47/711160247.db2.gz LUWLJQWBWPRMTK-SNVBAGLBSA-N 0 3 237.365 0.826 20 0 BCADHN CCC(=O)N[C@H]1CC[C@@H](C)N(CCO)C1 ZINC001071282217 711184701 /nfs/dbraw/zinc/18/47/01/711184701.db2.gz GRZZJXGJPNDXEY-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN COCCOCc1noc([C@@]2(C)CCCN2)n1 ZINC000395409290 711210062 /nfs/dbraw/zinc/21/00/62/711210062.db2.gz MSCUEYUQDNKCID-LLVKDONJSA-N 0 3 241.291 0.831 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1COC(C)(C)C1 ZINC000396839952 711369951 /nfs/dbraw/zinc/36/99/51/711369951.db2.gz GZNJQJHWLNFDPU-VIFPVBQESA-N 0 3 235.349 0.578 20 0 BCADHN C[C@@H](CNCc1cnccn1)C[C@H](C)O ZINC000398677023 711415126 /nfs/dbraw/zinc/41/51/26/711415126.db2.gz KRZJUNMTYXJLRE-ZJUUUORDSA-N 0 3 209.293 0.973 20 0 BCADHN CN(CC[S@@](C)=O)CC1(O)CCCC1 ZINC000399090007 711420193 /nfs/dbraw/zinc/42/01/93/711420193.db2.gz OIJDIGMQENDDLU-CQSZACIVSA-N 0 3 219.350 0.602 20 0 BCADHN CN(C)CCONC(=O)c1ccncc1 ZINC000393300675 710592051 /nfs/dbraw/zinc/59/20/51/710592051.db2.gz TZMKZSROYBQPAZ-UHFFFAOYSA-N 0 3 209.249 0.305 20 0 BCADHN CC1(C)C[C@H]1C(=O)N[C@H]1CCN(CCCO)C1 ZINC001010651535 710593525 /nfs/dbraw/zinc/59/35/25/710593525.db2.gz QHKYGUBSHBMTTD-QWRGUYRKSA-N 0 3 240.347 0.605 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001014829240 710612913 /nfs/dbraw/zinc/61/29/13/710612913.db2.gz NPPOYRZBVOQJDC-SECBINFHSA-N 0 3 236.275 0.006 20 0 BCADHN Cc1n[nH]cc1C(=O)NC[C@@H]1CCN1CC1CC1 ZINC001038574327 710696376 /nfs/dbraw/zinc/69/63/76/710696376.db2.gz DALNAUVTZGQISI-NSHDSACASA-N 0 3 248.330 0.932 20 0 BCADHN CN(C)CCONC(=O)[C@H]1CCSC1 ZINC000393944301 710829723 /nfs/dbraw/zinc/82/97/23/710829723.db2.gz KSUBZLCGAVYQRA-QMMMGPOBSA-N 0 3 218.322 0.349 20 0 BCADHN C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1NCCF ZINC001054428049 710933465 /nfs/dbraw/zinc/93/34/65/710933465.db2.gz FPFRYFIXKCSFDS-PSASIEDQSA-N 0 3 240.282 0.429 20 0 BCADHN CON(C)C(=O)CNC[C@@H](O)CC1CCCC1 ZINC000397530497 711382123 /nfs/dbraw/zinc/38/21/23/711382123.db2.gz JMUPSUOKNGJISH-NSHDSACASA-N 0 3 244.335 0.537 20 0 BCADHN CON(C)C(=O)CNCC1(OC)CCCCC1 ZINC000397515629 711382349 /nfs/dbraw/zinc/38/23/49/711382349.db2.gz AGSIPIAIXCPKDH-UHFFFAOYSA-N 0 3 244.335 0.945 20 0 BCADHN COC[C@H](NC(=O)[C@@H](N)CC1CC1)C1CC1 ZINC000397413506 711383003 /nfs/dbraw/zinc/38/30/03/711383003.db2.gz RUEMOCPAGIQIDT-QWRGUYRKSA-N 0 3 226.320 0.655 20 0 BCADHN CON(C)C(=O)CN[C@@H]1C[C@H](C)O[C@H]1C ZINC000397545666 711386794 /nfs/dbraw/zinc/38/67/94/711386794.db2.gz YEAAIRXOWWYHDH-XHNCKOQMSA-N 0 3 216.281 0.162 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)CC1CC1)c1ncon1 ZINC000397883246 711395437 /nfs/dbraw/zinc/39/54/37/711395437.db2.gz NYUZVOGLZMEURL-XPUUQOCRSA-N 0 3 224.264 0.374 20 0 BCADHN C[C@H](NC(=O)[C@H](N)CC1CC1)c1ncon1 ZINC000397883242 711395898 /nfs/dbraw/zinc/39/58/98/711395898.db2.gz NYUZVOGLZMEURL-POYBYMJQSA-N 0 3 224.264 0.374 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H](N)CCOC ZINC000399537135 711431507 /nfs/dbraw/zinc/43/15/07/711431507.db2.gz VJMQIRPPIITIQK-MXWKQRLJSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@H]1[C@@H](NCCF)CCN1C(=O)[C@H]1CCCO1 ZINC001074514972 711442899 /nfs/dbraw/zinc/44/28/99/711442899.db2.gz HKFOWTSYCPVUBS-GARJFASQSA-N 0 3 244.310 0.714 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@@H]1COC[C@@H]1C ZINC000711085876 711456281 /nfs/dbraw/zinc/45/62/81/711456281.db2.gz UQIRAPJXXYCTQU-GARJFASQSA-N 0 3 228.336 0.772 20 0 BCADHN C[C@@H]1CCC[C@@H](C)N1CCS(N)(=O)=O ZINC000077281538 711464558 /nfs/dbraw/zinc/46/45/58/711464558.db2.gz JTPCCQQMQWKWRF-RKDXNWHRSA-N 0 3 220.338 0.538 20 0 BCADHN CCCN1CC[C@H]1CNC(=O)C1=CCOCC1 ZINC001038182577 711473574 /nfs/dbraw/zinc/47/35/74/711473574.db2.gz ZKTSWBATBWQDKS-LBPRGKRZSA-N 0 3 238.331 0.934 20 0 BCADHN CCCN1CC[C@@H]1CNC(=O)C1=CCOCC1 ZINC001038182573 711473582 /nfs/dbraw/zinc/47/35/82/711473582.db2.gz ZKTSWBATBWQDKS-GFCCVEGCSA-N 0 3 238.331 0.934 20 0 BCADHN CC[C@H](CNCc1cnc2n1CCOC2)OC ZINC000722851439 711484866 /nfs/dbraw/zinc/48/48/66/711484866.db2.gz QOOOQOKTFNEDGV-LLVKDONJSA-N 0 3 239.319 0.928 20 0 BCADHN CCOCC(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000717410629 711490817 /nfs/dbraw/zinc/49/08/17/711490817.db2.gz BMJCDEWGHHCKMG-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN COCCOCCCNCc1cn(C)cn1 ZINC000381064020 711506083 /nfs/dbraw/zinc/50/60/83/711506083.db2.gz MBNFPRRWRGHBOT-UHFFFAOYSA-N 0 3 227.308 0.563 20 0 BCADHN Cn1cc(CNC[C@H]2C[C@@H]3COC[C@@H]3O2)cn1 ZINC000724652962 711521381 /nfs/dbraw/zinc/52/13/81/711521381.db2.gz KVYSMIGQEUNZRK-UTUOFQBUSA-N 0 3 237.303 0.314 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)Cc1cccc(F)c1 ZINC000393293825 711603801 /nfs/dbraw/zinc/60/38/01/711603801.db2.gz BJNGNAWQKZYDSU-UHFFFAOYSA-N 0 3 240.278 0.978 20 0 BCADHN c1cc(CNCCO[C@H]2CCOC2)ccn1 ZINC000724949409 711633194 /nfs/dbraw/zinc/63/31/94/711633194.db2.gz JHQZSTJGIJQBPP-LBPRGKRZSA-N 0 3 222.288 0.977 20 0 BCADHN CCn1cncc1CN[C@@H]1CC12CC(O)C2 ZINC000724950788 711633678 /nfs/dbraw/zinc/63/36/78/711633678.db2.gz DAWSCWJEIUJHCM-MOENNCHZSA-N 0 3 221.304 0.906 20 0 BCADHN Cc1cc(N[C@@H]2CC23CC(O)C3)nc(N)n1 ZINC000724964759 711637777 /nfs/dbraw/zinc/63/77/77/711637777.db2.gz GBBDAMRHNDOXDK-JKDSDDBFSA-N 0 3 220.276 0.693 20 0 BCADHN Cc1ncc(CNCCO[C@@H]2CCOC2)n1C ZINC000724965287 711638736 /nfs/dbraw/zinc/63/87/36/711638736.db2.gz DUTQKOAYEMMDRU-GFCCVEGCSA-N 0 3 239.319 0.624 20 0 BCADHN CCn1cc(CNCCO[C@@H]2CCOC2)cn1 ZINC000724987375 711640384 /nfs/dbraw/zinc/64/03/84/711640384.db2.gz WNHXJADSWNSZEJ-GFCCVEGCSA-N 0 3 239.319 0.798 20 0 BCADHN O=C(C1CCC1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075477957 711654195 /nfs/dbraw/zinc/65/41/95/711654195.db2.gz WGFGCZHQRKXHMV-NWDGAFQWSA-N 0 3 238.331 0.312 20 0 BCADHN C[C@@H]1CCN(CCNCc2cnn(C)n2)C1 ZINC000382307803 711659729 /nfs/dbraw/zinc/65/97/29/711659729.db2.gz PGTSRXNTRHCETQ-SNVBAGLBSA-N 0 3 223.324 0.247 20 0 BCADHN NC(=O)CC1CC(NCc2ccns2)C1 ZINC000718553370 711660003 /nfs/dbraw/zinc/66/00/03/711660003.db2.gz PTDXGEYOTPGNBT-UHFFFAOYSA-N 0 3 225.317 0.887 20 0 BCADHN O=C(c1ccc[nH]1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075544638 711698805 /nfs/dbraw/zinc/69/88/05/711698805.db2.gz JGEXSMZMKLUCIB-CMPLNLGQSA-N 0 3 249.314 0.153 20 0 BCADHN CN(C)CCSc1nnc(C(C)(C)C)n1N ZINC000192130314 711708071 /nfs/dbraw/zinc/70/80/71/711708071.db2.gz WQYXXVJIQHPTEY-UHFFFAOYSA-N 0 3 243.380 0.943 20 0 BCADHN CCN1CCC[C@H](NCc2cnc[nH]2)C1=O ZINC000722348898 711743390 /nfs/dbraw/zinc/74/33/90/711743390.db2.gz KJXXKDYZHUTBDT-JTQLQIEISA-N 0 3 222.292 0.510 20 0 BCADHN CCC(O)(CC)CN(C)CC[S@](C)=O ZINC000399077091 711743422 /nfs/dbraw/zinc/74/34/22/711743422.db2.gz JRXDWMRYHUQWRM-AWEZNQCLSA-N 0 3 221.366 0.848 20 0 BCADHN CC(C)OC(=O)CNC(=O)[C@@H](N)C1CCC1 ZINC000399146215 711744224 /nfs/dbraw/zinc/74/42/24/711744224.db2.gz WZTQBLPKAWCWBQ-JTQLQIEISA-N 0 3 228.292 0.182 20 0 BCADHN O=C(c1cn[nH]c1)N1CCCN(CC2CC2)CC1 ZINC000980757607 711747814 /nfs/dbraw/zinc/74/78/14/711747814.db2.gz XWLNOXCNLACNCX-UHFFFAOYSA-N 0 3 248.330 0.968 20 0 BCADHN Cn1cnc(C(=O)NC[C@H]2CCN2CC2CC2)c1 ZINC001038163433 711761324 /nfs/dbraw/zinc/76/13/24/711761324.db2.gz IBDLRXRNNHFFSJ-LLVKDONJSA-N 0 3 248.330 0.634 20 0 BCADHN C[N@@H+]1C[C@@H]2CCCN(c3cc(=O)[n-]cn3)[C@@H]2C1 ZINC000894275662 711767193 /nfs/dbraw/zinc/76/71/93/711767193.db2.gz KRQOKDVIVNXWLW-VHSXEESVSA-N 0 3 234.303 0.713 20 0 BCADHN C[N@H+]1C[C@@H]2CCCN(c3cc(=O)[n-]cn3)[C@@H]2C1 ZINC000894275662 711767195 /nfs/dbraw/zinc/76/71/95/711767195.db2.gz KRQOKDVIVNXWLW-VHSXEESVSA-N 0 3 234.303 0.713 20 0 BCADHN C[C@H](C[C@@H]1COCCN1)N[C@H](C)C(F)F ZINC000389913974 711767403 /nfs/dbraw/zinc/76/74/03/711767403.db2.gz LQGDDIVEYWXBNA-IWSPIJDZSA-N 0 3 222.279 0.997 20 0 BCADHN CN(C)CCONC(=O)c1ccc(Cl)nc1 ZINC000379185073 711784380 /nfs/dbraw/zinc/78/43/80/711784380.db2.gz TVZLWZQLGHEMHW-UHFFFAOYSA-N 0 3 243.694 0.958 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](O)CC(C)C)N(C)C ZINC000305100154 711785845 /nfs/dbraw/zinc/78/58/45/711785845.db2.gz AWCKVSIJNPQVCZ-MNOVXSKESA-N 0 3 230.352 0.850 20 0 BCADHN CN(C)C(=O)CN1CC[C@H](C(C)(C)O)C1 ZINC000721863990 711791926 /nfs/dbraw/zinc/79/19/26/711791926.db2.gz RNSZMVWWJVYBNB-VIFPVBQESA-N 0 3 214.309 0.167 20 0 BCADHN CCCN(CCO)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925313073 711797985 /nfs/dbraw/zinc/79/79/85/711797985.db2.gz LIAACDUZWQGSOF-GHMZBOCLSA-N 0 3 243.351 0.493 20 0 BCADHN CC(C)N1CC[C@@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC001038132919 711802565 /nfs/dbraw/zinc/80/25/65/711802565.db2.gz KVJLKAVNZURZBT-SNVBAGLBSA-N 0 3 249.314 1.000 20 0 BCADHN CCN1C[C@@H]2CCN(C(=O)c3cnco3)[C@@H]2C1 ZINC001076102364 711804274 /nfs/dbraw/zinc/80/42/74/711804274.db2.gz MBPPUINOBRRUNX-VHSXEESVSA-N 0 3 235.287 0.841 20 0 BCADHN COC[C@H](C)NC(=O)[C@H](N)CC1CC1 ZINC000379588556 711804328 /nfs/dbraw/zinc/80/43/28/711804328.db2.gz UFHDIHXMHWXLES-IONNQARKSA-N 0 3 200.282 0.265 20 0 BCADHN CCN(CC)C(=O)CNC[C@]1(OC)CCOC1 ZINC000160341637 711806629 /nfs/dbraw/zinc/80/66/29/711806629.db2.gz OMVOBJHDAWRYHC-GFCCVEGCSA-N 0 3 244.335 0.250 20 0 BCADHN O=C(CC1CC1)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001076672226 711807959 /nfs/dbraw/zinc/80/79/59/711807959.db2.gz JTEWYAYXVMJMBS-VXGBXAGGSA-N 0 3 238.331 0.358 20 0 BCADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 ZINC001076754067 711808432 /nfs/dbraw/zinc/80/84/32/711808432.db2.gz CZJKFAGKZYUUQR-GHMZBOCLSA-N 0 3 228.336 0.460 20 0 BCADHN Cn1cc(C(=O)NC[C@H]2CCN2CC2CC2)cn1 ZINC001038055325 711821034 /nfs/dbraw/zinc/82/10/34/711821034.db2.gz ODWKKMAVLMKMOB-GFCCVEGCSA-N 0 3 248.330 0.634 20 0 BCADHN C[C@H]1NC(=O)N([C@@H]2C[C@H](C)N(C3CC3)C2)C1=O ZINC000348957278 711821385 /nfs/dbraw/zinc/82/13/85/711821385.db2.gz JGANBTCYGRJDKB-QXFUBDJGSA-N 0 3 237.303 0.552 20 0 BCADHN CC[C@H]1CN(C[C@@H](O)CO)CCS1 ZINC000228127978 711833624 /nfs/dbraw/zinc/83/36/24/711833624.db2.gz SEDUEEJLRXDHII-BDAKNGLRSA-N 0 3 205.323 0.167 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H](C)CCSC ZINC000228943811 711836964 /nfs/dbraw/zinc/83/69/64/711836964.db2.gz TWRWHBOCIXVPRS-IUCAKERBSA-N 0 3 234.365 0.608 20 0 BCADHN CC[C@@H](N)c1cn(Cc2nonc2C)nn1 ZINC000229934422 711839979 /nfs/dbraw/zinc/83/99/79/711839979.db2.gz PUWUATQEQLMHKI-SSDOTTSWSA-N 0 3 222.252 0.428 20 0 BCADHN C[C@@H](O)CN(C)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925335580 711883505 /nfs/dbraw/zinc/88/35/05/711883505.db2.gz OCANXVWVFXLSRM-BBBLOLIVSA-N 0 3 229.324 0.101 20 0 BCADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001077732195 711915551 /nfs/dbraw/zinc/91/55/51/711915551.db2.gz ZSBWAEBGVODQCJ-GMTAPVOTSA-N 0 3 238.331 0.356 20 0 BCADHN CCN1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]nnc1C ZINC001032555292 711925238 /nfs/dbraw/zinc/92/52/38/711925238.db2.gz HILRABJEGGSBDJ-IUCAKERBSA-N 0 3 235.291 0.032 20 0 BCADHN CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ncc[nH]1 ZINC001032701973 711933445 /nfs/dbraw/zinc/93/34/45/711933445.db2.gz LIYZQVTYGXIYBW-QWRGUYRKSA-N 0 3 248.330 0.647 20 0 BCADHN C[C@@H](C1CC1)N1CCN(C(=O)CN(C)C)CC1 ZINC000929258960 711950329 /nfs/dbraw/zinc/95/03/29/711950329.db2.gz KSENJUNUZNLLFS-NSHDSACASA-N 0 3 239.363 0.491 20 0 BCADHN C[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001032829474 711953491 /nfs/dbraw/zinc/95/34/91/711953491.db2.gz WGPZBQWYVBMOEE-VLEAKVRGSA-N 0 3 226.320 0.214 20 0 BCADHN COC[C@H](C)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001032828895 711953506 /nfs/dbraw/zinc/95/35/06/711953506.db2.gz SEYDIMHDQCDYCL-BJDJZHNGSA-N 0 3 240.347 0.868 20 0 BCADHN CC1(C)CO[C@H](CNCCS(C)(=O)=O)C1 ZINC000708405857 711957299 /nfs/dbraw/zinc/95/72/99/711957299.db2.gz TVQCCLKMSRRSQF-VIFPVBQESA-N 0 3 235.349 0.436 20 0 BCADHN COC[C@H](C)N1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001032839213 711958784 /nfs/dbraw/zinc/95/87/84/711958784.db2.gz SEYDIMHDQCDYCL-YFKTTZPYSA-N 0 3 240.347 0.868 20 0 BCADHN CCCN1CC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001038091625 711959706 /nfs/dbraw/zinc/95/97/06/711959706.db2.gz GKVACTTZTBIZGS-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2ccnn2C)C1 ZINC001032941856 711968877 /nfs/dbraw/zinc/96/88/77/711968877.db2.gz UZCLMXRZOLYXQG-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC001032938835 711969308 /nfs/dbraw/zinc/96/93/08/711969308.db2.gz JEZYNHBQIRJUER-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN CN(C(=O)C1CC=CC1)[C@H]1CCN(CCO)C1 ZINC001032981856 711970177 /nfs/dbraw/zinc/97/01/77/711970177.db2.gz QHTQAXGKMSZVQV-LBPRGKRZSA-N 0 3 238.331 0.478 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2nccc(C)n2)C1 ZINC001033052072 711972840 /nfs/dbraw/zinc/97/28/40/711972840.db2.gz MWPQCQRRQIVFDD-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN 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ZINC001033730987 712017248 /nfs/dbraw/zinc/01/72/48/712017248.db2.gz OXKBKFQFMSVSPL-LBPRGKRZSA-N 0 3 240.347 0.702 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2nccnc2N)C1 ZINC000701165301 712017343 /nfs/dbraw/zinc/01/73/43/712017343.db2.gz FJERTUQBHBGTQF-VIFPVBQESA-N 0 3 249.318 0.225 20 0 BCADHN O[C@@H]1CN(CCOC2CCCCC2)C[C@@H]1O ZINC000701300690 712019623 /nfs/dbraw/zinc/01/96/23/712019623.db2.gz UIUPMFVJKUBICR-TXEJJXNPSA-N 0 3 229.320 0.373 20 0 BCADHN COC[C@]1(C(=O)N[C@H]2C=CCC2)CCCCN1 ZINC000701425330 712022767 /nfs/dbraw/zinc/02/27/67/712022767.db2.gz ZKKDWAICSORALN-AAEUAGOBSA-N 0 3 238.331 0.980 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)CN(C)C)C1CCCCC1 ZINC000702343370 712045595 /nfs/dbraw/zinc/04/55/95/712045595.db2.gz XSUMKNHFWLLUEL-JQWIXIFHSA-N 0 3 241.379 0.960 20 0 BCADHN CC[C@@]1(C)CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702349038 712045808 /nfs/dbraw/zinc/04/58/08/712045808.db2.gz FPILJHHAZJIFHD-JQWIXIFHSA-N 0 3 227.352 0.524 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@H]1CCCC1(C)C ZINC000702329343 712046941 /nfs/dbraw/zinc/04/69/41/712046941.db2.gz KADKOKTUDXTZOY-UWVGGRQHSA-N 0 3 227.352 0.570 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC1(C)CCCC1 ZINC000702330160 712047024 /nfs/dbraw/zinc/04/70/24/712047024.db2.gz PUZLUGBOZUWKHV-JTQLQIEISA-N 0 3 227.352 0.572 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCCCCCC1 ZINC000702328916 712047220 /nfs/dbraw/zinc/04/72/20/712047220.db2.gz FBRHRPCEFRWHNC-NSHDSACASA-N 0 3 227.352 0.668 20 0 BCADHN CC(C)CC1(NC(=O)[C@@H](N)CN(C)C)CC1 ZINC000702399639 712049207 /nfs/dbraw/zinc/04/92/07/712049207.db2.gz BSLIRTQQBDMPNO-JTQLQIEISA-N 0 3 227.352 0.570 20 0 BCADHN CC(C)C[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702399931 712049393 /nfs/dbraw/zinc/04/93/93/712049393.db2.gz CGRNXXHQIMOQHJ-UWVGGRQHSA-N 0 3 215.341 0.426 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)CN(C)C)C[C@@H](C)S1 ZINC000702395606 712050309 /nfs/dbraw/zinc/05/03/09/712050309.db2.gz VWESORZSZKEXJL-BBBLOLIVSA-N 0 3 245.392 0.228 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC1(C)CCC1 ZINC000702388053 712050335 /nfs/dbraw/zinc/05/03/35/712050335.db2.gz VRSGQSFBMMNNCE-VIFPVBQESA-N 0 3 213.325 0.182 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000702386633 712050421 /nfs/dbraw/zinc/05/04/21/712050421.db2.gz QKRALFQDELLNMQ-WOPDTQHZSA-N 0 3 239.363 0.666 20 0 BCADHN CCCCCCNC(=O)[C@@H](N)CN(C)C ZINC000702403948 712050900 /nfs/dbraw/zinc/05/09/00/712050900.db2.gz YAPWRPNJBREWRS-JTQLQIEISA-N 0 3 215.341 0.572 20 0 BCADHN Cc1ccc(CNC(=O)[C@@H](N)CN(C)C)s1 ZINC000702414310 712051453 /nfs/dbraw/zinc/05/14/53/712051453.db2.gz LVTFMKMOMVZGDX-JTQLQIEISA-N 0 3 241.360 0.562 20 0 BCADHN C[C@H](CNC(=O)[C@@H](N)CN(C)C)CC(F)F ZINC000702423754 712052419 /nfs/dbraw/zinc/05/24/19/712052419.db2.gz JOAYHFBZPDRXQL-YUMQZZPRSA-N 0 3 237.294 0.283 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@H]1Cc2ccccc21 ZINC000702430099 712052474 /nfs/dbraw/zinc/05/24/74/712052474.db2.gz MIGWRJJNLASDPL-YPMHNXCESA-N 0 3 247.342 0.331 20 0 BCADHN Cc1nc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc(=O)[n-]1 ZINC000702465061 712053760 /nfs/dbraw/zinc/05/37/60/712053760.db2.gz NZMNGOLDUZFXJZ-MFKMUULPSA-N 0 3 248.330 0.879 20 0 BCADHN Cc1nc(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc(=O)[n-]1 ZINC000702465061 712053762 /nfs/dbraw/zinc/05/37/62/712053762.db2.gz NZMNGOLDUZFXJZ-MFKMUULPSA-N 0 3 248.330 0.879 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCCOCCF ZINC000702554186 712054998 /nfs/dbraw/zinc/05/49/98/712054998.db2.gz DYHMKVAEEIJVCS-SECBINFHSA-N 0 3 218.272 0.216 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)OC2CCCC2)C1 ZINC000702645425 712057823 /nfs/dbraw/zinc/05/78/23/712057823.db2.gz XMJQZHCCJJSZQT-GFCCVEGCSA-N 0 3 242.319 0.722 20 0 BCADHN COC[C@@H]1CCCN1C(=O)[C@H](N)CC1CC1 ZINC000702832904 712061267 /nfs/dbraw/zinc/06/12/67/712061267.db2.gz DCDSZKDSRUKXEA-WDEREUQCSA-N 0 3 226.320 0.751 20 0 BCADHN COCC[C@@H](N)C(=O)N1CCCC[C@@H](C)C1 ZINC000703282921 712069237 /nfs/dbraw/zinc/06/92/37/712069237.db2.gz LDGPAMAYRALYIO-GHMZBOCLSA-N 0 3 228.336 0.999 20 0 BCADHN NC1(C(=O)NCCC2SCCS2)CC1 ZINC000703274304 712069329 /nfs/dbraw/zinc/06/93/29/712069329.db2.gz LKVFHYFDCAIZGB-UHFFFAOYSA-N 0 3 232.374 0.790 20 0 BCADHN CC(C)N1CCN(Cc2ccc(N)nn2)CC1 ZINC000703952833 712092709 /nfs/dbraw/zinc/09/27/09/712092709.db2.gz WWAIWNUMZWKAHK-UHFFFAOYSA-N 0 3 235.335 0.585 20 0 BCADHN Nc1ccc(CN2CC[C@]3(CCOC3)C2)nn1 ZINC000703972890 712097278 /nfs/dbraw/zinc/09/72/78/712097278.db2.gz CAYUGVCDSCRUHT-LBPRGKRZSA-N 0 3 234.303 0.671 20 0 BCADHN Nc1ccc(CN2CCC[C@@H]2CCCO)nn1 ZINC000703964940 712097450 /nfs/dbraw/zinc/09/74/50/712097450.db2.gz OVVQAMOMFWZVKB-LLVKDONJSA-N 0 3 236.319 0.796 20 0 BCADHN COC1CC(CN2CCC3(C2)OCCO3)C1 ZINC000704250886 712102139 /nfs/dbraw/zinc/10/21/39/712102139.db2.gz GRANOFIJPJJNEB-UHFFFAOYSA-N 0 3 227.304 0.860 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)C(F)F)CCN1 ZINC000704724704 712113889 /nfs/dbraw/zinc/11/38/89/712113889.db2.gz DBMHQFZPFNZGNP-ZETCQYMHSA-N 0 3 206.236 0.708 20 0 BCADHN CC(C)[C@H]1CN(C(=O)C(F)F)CCN1 ZINC000704724702 712114343 /nfs/dbraw/zinc/11/43/43/712114343.db2.gz DBMHQFZPFNZGNP-SSDOTTSWSA-N 0 3 206.236 0.708 20 0 BCADHN CC(C)C[C@H](O)CNC(=O)C(N)C(F)(F)F ZINC000705251519 712126450 /nfs/dbraw/zinc/12/64/50/712126450.db2.gz LZXJKUPLJBVKLJ-NKWVEPMBSA-N 0 3 242.241 0.399 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)CCC(C)(C)C ZINC000705320562 712128665 /nfs/dbraw/zinc/12/86/65/712128665.db2.gz SXLQEHDRCAKOFD-JTQLQIEISA-N 0 3 229.368 0.770 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCC(C)(C)C ZINC000705392342 712129818 /nfs/dbraw/zinc/12/98/18/712129818.db2.gz FTUXFBVPGPZUEK-VIFPVBQESA-N 0 3 215.341 0.428 20 0 BCADHN CCSCC[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000705393905 712130140 /nfs/dbraw/zinc/13/01/40/712130140.db2.gz MJCWFXVQSJGZSJ-UWVGGRQHSA-N 0 3 247.408 0.523 20 0 BCADHN CCC[C@H](CNC(=O)[C@H](N)CCOC)OCC ZINC000705365978 712130708 /nfs/dbraw/zinc/13/07/08/712130708.db2.gz WCDUBQYNIVQMKO-GHMZBOCLSA-N 0 3 246.351 0.672 20 0 BCADHN COCCN(CCF)C(=O)C(N)C(F)(F)F ZINC000705520277 712132736 /nfs/dbraw/zinc/13/27/36/712132736.db2.gz VTDGTUKHDLWHCY-ZCFIWIBFSA-N 0 3 246.204 0.321 20 0 BCADHN COC1(CN[C@@H]2CNOC2)CCCC1 ZINC000705646013 712134297 /nfs/dbraw/zinc/13/42/97/712134297.db2.gz AEJHSKZHYXJLNJ-SECBINFHSA-N 0 3 200.282 0.439 20 0 BCADHN COC1(CN[C@H]2CNOC2)CCCC1 ZINC000705646014 712134329 /nfs/dbraw/zinc/13/43/29/712134329.db2.gz AEJHSKZHYXJLNJ-VIFPVBQESA-N 0 3 200.282 0.439 20 0 BCADHN COCC[C@H](N)C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000706197849 712142289 /nfs/dbraw/zinc/14/22/89/712142289.db2.gz FKLCHAGXPPOFTP-GUBZILKMSA-N 0 3 214.309 0.750 20 0 BCADHN COCC[C@@H](N)C(=O)N[C@@H]1CCCC12CC2 ZINC000707022541 712164266 /nfs/dbraw/zinc/16/42/66/712164266.db2.gz NKIFTSPEAUROMS-NXEZZACHSA-N 0 3 226.320 0.799 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@H](N)CCC(C)C ZINC000707343608 712168706 /nfs/dbraw/zinc/16/87/06/712168706.db2.gz TYWGPCUNKQBWIK-SNVBAGLBSA-N 0 3 244.335 0.771 20 0 BCADHN CCC1(O)CCN(C(=O)[C@@H](N)CC2CC2)CC1 ZINC000707440116 712169847 /nfs/dbraw/zinc/16/98/47/712169847.db2.gz WEHIQSLOCVWGLN-NSHDSACASA-N 0 3 240.347 0.877 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NC[C@@H]1COCCO1 ZINC000707708853 712176913 /nfs/dbraw/zinc/17/69/13/712176913.db2.gz VTHGMGLEZJAOSD-GHMZBOCLSA-N 0 3 244.335 0.282 20 0 BCADHN CCN(CC(=O)NC)C(=O)[C@H](N)CCC(C)C ZINC000707736649 712176982 /nfs/dbraw/zinc/17/69/82/712176982.db2.gz VJBCPXWBFYBOFB-SNVBAGLBSA-N 0 3 243.351 0.344 20 0 BCADHN C[NH+](C)C[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000708443296 712194787 /nfs/dbraw/zinc/19/47/87/712194787.db2.gz BXUORESABVUERO-SECBINFHSA-N 0 3 222.292 0.570 20 0 BCADHN CN(CCO[C@@H]1CC1(F)F)[C@@H]1COC[C@H]1O ZINC000708624302 712195773 /nfs/dbraw/zinc/19/57/73/712195773.db2.gz RNNUTABRKSRQQC-IWSPIJDZSA-N 0 3 237.246 0.102 20 0 BCADHN O=C1[C@@H](NCc2cnc[nH]2)CCN1C1CCC1 ZINC000708714092 712197459 /nfs/dbraw/zinc/19/74/59/712197459.db2.gz PPXVMWUFPMUFGN-NSHDSACASA-N 0 3 234.303 0.653 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H](N)CC2CC2)CCO1 ZINC000708957801 712204024 /nfs/dbraw/zinc/20/40/24/712204024.db2.gz ALPFIKPFMQYCGS-VXGBXAGGSA-N 0 3 240.347 0.997 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@@H](N)CC2CC2)CCO1 ZINC000708957799 712204671 /nfs/dbraw/zinc/20/46/71/712204671.db2.gz ALPFIKPFMQYCGS-RYUDHWBXSA-N 0 3 240.347 0.997 20 0 BCADHN C[C@]1(C(F)(F)F)CCN(C(=O)CN)C1 ZINC000709619337 712225602 /nfs/dbraw/zinc/22/56/02/712225602.db2.gz YTLOSTXTJYYOJO-ZETCQYMHSA-N 0 3 210.199 0.746 20 0 BCADHN CCN1C[C@H](CN2CCC(CO)CC2)OC1=O ZINC000709815432 712228216 /nfs/dbraw/zinc/22/82/16/712228216.db2.gz PTBLHZXYNCAQOI-NSHDSACASA-N 0 3 242.319 0.531 20 0 BCADHN C[C@H](CC1CCC1)NC(=O)[C@@H](N)CN(C)C ZINC000710298361 712250863 /nfs/dbraw/zinc/25/08/63/712250863.db2.gz SHUVOKCGSBULCX-KOLCDFICSA-N 0 3 227.352 0.570 20 0 BCADHN CCN(C(=O)C(OC)OC)[C@@H]1CCN(C)C1 ZINC000710516542 712254231 /nfs/dbraw/zinc/25/42/31/712254231.db2.gz HEBSVNLZBGDWOJ-SECBINFHSA-N 0 3 230.308 0.158 20 0 BCADHN Cc1nn(C)cc1CN[C@@H]1COC[C@@H]1C ZINC000710880102 712260920 /nfs/dbraw/zinc/26/09/20/712260920.db2.gz DSLINWZDAJYFBQ-GZMMTYOYSA-N 0 3 209.293 0.853 20 0 BCADHN OC[C@@H](O)CN1CC[C@H](c2nccs2)C1 ZINC000710672427 712265461 /nfs/dbraw/zinc/26/54/61/712265461.db2.gz YORSTSMEWUXPPJ-IUCAKERBSA-N 0 3 228.317 0.286 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@@H]1COC[C@H]1C ZINC000710950575 712267172 /nfs/dbraw/zinc/26/71/72/712267172.db2.gz QCGWCRYUXRCGEI-KXUCPTDWSA-N 0 3 214.309 0.526 20 0 BCADHN COC1(OC)CC[C@H]1N[C@H]1CCC(=O)N(C)C1 ZINC000710966234 712269433 /nfs/dbraw/zinc/26/94/33/712269433.db2.gz ZKWBTEVICUBKII-VHSXEESVSA-N 0 3 242.319 0.348 20 0 BCADHN COC1(OC)CC[C@H]1NCCOCCF ZINC000711005781 712274223 /nfs/dbraw/zinc/27/42/23/712274223.db2.gz SXPVMECXZVJFKI-SECBINFHSA-N 0 3 221.272 0.714 20 0 BCADHN COC1(OC)CC[C@@H]1NCCOCCF ZINC000711005784 712274570 /nfs/dbraw/zinc/27/45/70/712274570.db2.gz SXPVMECXZVJFKI-VIFPVBQESA-N 0 3 221.272 0.714 20 0 BCADHN C[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)c1cnn[n-]1 ZINC001080028702 712352572 /nfs/dbraw/zinc/35/25/72/712352572.db2.gz OQORIISCJBCUEI-LDYMZIIASA-N 0 3 249.318 0.265 20 0 BCADHN C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)c1cnn[n-]1 ZINC001080028702 712352575 /nfs/dbraw/zinc/35/25/75/712352575.db2.gz OQORIISCJBCUEI-LDYMZIIASA-N 0 3 249.318 0.265 20 0 BCADHN NCC(=O)NCCC1SCCS1 ZINC000703275781 712369228 /nfs/dbraw/zinc/36/92/28/712369228.db2.gz OBLLVEKMKODPBI-UHFFFAOYSA-N 0 3 206.336 0.258 20 0 BCADHN Cc1cc(C(=O)NOCCN(C)C)ccn1 ZINC000379191749 712370898 /nfs/dbraw/zinc/37/08/98/712370898.db2.gz VYFWNYDJJKDYGD-UHFFFAOYSA-N 0 3 223.276 0.613 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)C[C@H]1CCCO1 ZINC000379192171 712370979 /nfs/dbraw/zinc/37/09/79/712370979.db2.gz WAECDBXRKWWFBR-SECBINFHSA-N 0 3 216.281 0.165 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2ccc[nH]c2=O)[C@H]1C ZINC000379425314 712384307 /nfs/dbraw/zinc/38/43/07/712384307.db2.gz AAHHMXOYUKWPKB-IUCAKERBSA-N 0 3 235.287 0.610 20 0 BCADHN COC(OC)[C@@H](C)NCC1=CCCOC1 ZINC000379588654 712389300 /nfs/dbraw/zinc/38/93/00/712389300.db2.gz PMIFVLWURDNNCE-SECBINFHSA-N 0 3 215.293 0.930 20 0 BCADHN O[C@@]1(CNCc2c[nH]cn2)CCSC1 ZINC000379657684 712391487 /nfs/dbraw/zinc/39/14/87/712391487.db2.gz MTILVGQXONXYGR-SECBINFHSA-N 0 3 213.306 0.367 20 0 BCADHN CCN1CC[C@H]1CNc1ccc2nccnc2n1 ZINC000712594269 712435272 /nfs/dbraw/zinc/43/52/72/712435272.db2.gz IJABZIHDPUUDII-JTQLQIEISA-N 0 3 243.314 0.904 20 0 BCADHN COC(=O)c1coc(CNC[C@H]2CCN2C)c1 ZINC000712596094 712436390 /nfs/dbraw/zinc/43/63/90/712436390.db2.gz SQKVFNFEDSOZAS-SNVBAGLBSA-N 0 3 238.287 0.860 20 0 BCADHN CO[C@H](C)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712641121 712439207 /nfs/dbraw/zinc/43/92/07/712439207.db2.gz WHVDMUNNJLSTMY-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN COCC(=O)N1CCN(C)C(C)(C)CC1 ZINC000712636524 712439210 /nfs/dbraw/zinc/43/92/10/712439210.db2.gz FAFGYOCWSYSJMI-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN CO[C@@H](C)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712641119 712439233 /nfs/dbraw/zinc/43/92/33/712439233.db2.gz WHVDMUNNJLSTMY-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN O=S(=O)(NCC[C@@H]1C[C@H]1C1CC1)C1CNC1 ZINC000712667512 712440069 /nfs/dbraw/zinc/44/00/69/712440069.db2.gz OSONKUGVWHWKNO-KOLCDFICSA-N 0 3 244.360 0.314 20 0 BCADHN Cc1nnsc1CNC[C@@H]1CCN1C ZINC000712546776 712443976 /nfs/dbraw/zinc/44/39/76/712443976.db2.gz FCPCWZLTMWNCOJ-QMMMGPOBSA-N 0 3 212.322 0.640 20 0 BCADHN O=S(=O)(C1CC1)N1CCNCCC12CCC2 ZINC000713189246 712453992 /nfs/dbraw/zinc/45/39/92/712453992.db2.gz NGAQGZCNEFINNU-UHFFFAOYSA-N 0 3 244.360 0.697 20 0 BCADHN O=C(NC[C@@H]1CCN1CC1CC1)[C@H]1CCCO1 ZINC001038041151 712459243 /nfs/dbraw/zinc/45/92/43/712459243.db2.gz QXBXWHNUIIMHPE-NWDGAFQWSA-N 0 3 238.331 0.766 20 0 BCADHN CCCn1cc(CNC[C@@H]2CCCN2C)nn1 ZINC000714405149 712485136 /nfs/dbraw/zinc/48/51/36/712485136.db2.gz WIBGVBVEVNPOGA-LBPRGKRZSA-N 0 3 237.351 0.872 20 0 BCADHN COC[C@H]1C[C@@H](NCc2ccn(C)n2)C1 ZINC000714478049 712491965 /nfs/dbraw/zinc/49/19/65/712491965.db2.gz RASFWLKVDUMFAX-JGZJWPJOSA-N 0 3 209.293 0.935 20 0 BCADHN CCn1cc(CNC[C@H]2C[C@@H](OC)C2)nn1 ZINC000714925558 712500341 /nfs/dbraw/zinc/50/03/41/712500341.db2.gz YQJFONFWPGQRAM-JGZJWPJOSA-N 0 3 224.308 0.813 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](O)c1ccccc1 ZINC000036871674 712506499 /nfs/dbraw/zinc/50/64/99/712506499.db2.gz MKMJJYKFVAABJS-MNOVXSKESA-N 0 3 222.288 0.574 20 0 BCADHN CC1(C)OC[C@H](CNC[C@H](O)C(F)(F)F)O1 ZINC000715074946 712506543 /nfs/dbraw/zinc/50/65/43/712506543.db2.gz DHZAEZBWZFJCRA-BQBZGAKWSA-N 0 3 243.225 0.651 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC[C@H]1COC(C)(C)O1 ZINC000715120952 712510337 /nfs/dbraw/zinc/51/03/37/712510337.db2.gz HDSSCUOZFNFJNV-UWVGGRQHSA-N 0 3 244.335 0.594 20 0 BCADHN NC(C(=O)N1C[C@H]2[C@@H](C1)C2(F)F)C(F)(F)F ZINC000715419708 712518272 /nfs/dbraw/zinc/51/82/72/712518272.db2.gz FPJPOQGKEVAQKY-MROZADKFSA-N 0 3 244.163 0.600 20 0 BCADHN COC[C@H](O)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000715384769 712521726 /nfs/dbraw/zinc/52/17/26/712521726.db2.gz DIQVFFCTMPDDLZ-PRJMDXOYSA-N 0 3 207.220 0.191 20 0 BCADHN CC(C)(C)C(=O)CNC(=O)C12CCN(CC1)C2 ZINC000715777653 712532332 /nfs/dbraw/zinc/53/23/32/712532332.db2.gz NGSDMUPUQPVBTQ-UHFFFAOYSA-N 0 3 238.331 0.814 20 0 BCADHN O=C(N1[C@@H]2CC[C@H]1CC(=O)C2)C12CCN(CC1)C2 ZINC000715776829 712532600 /nfs/dbraw/zinc/53/26/00/712532600.db2.gz MTGRYACGQUGDQT-PHIMTYICSA-N 0 3 248.326 0.805 20 0 BCADHN CO[C@H]1C[C@H](CN[C@H](C)c2cn(C)nn2)C1 ZINC000715879673 712539036 /nfs/dbraw/zinc/53/90/36/712539036.db2.gz UOZFRFUOXOPOSJ-OPRDCNLKSA-N 0 3 224.308 0.891 20 0 BCADHN COCC[C@H](N)C(=O)NCC[C@@H]1CCCS1 ZINC000715895016 712540646 /nfs/dbraw/zinc/54/06/46/712540646.db2.gz OTKYXKPZFAZOCY-UWVGGRQHSA-N 0 3 246.376 0.752 20 0 BCADHN C[C@H](N[C@H]1CCCN(C)C1)c1cn(C)nn1 ZINC000715905781 712541922 /nfs/dbraw/zinc/54/19/22/712541922.db2.gz COQHIBUINNTRNK-UWVGGRQHSA-N 0 3 223.324 0.560 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCCCC1CC1 ZINC000716418086 712559653 /nfs/dbraw/zinc/55/96/53/712559653.db2.gz XBXXMOFDLKMPRS-NSHDSACASA-N 0 3 227.352 0.572 20 0 BCADHN CCC(F)(F)C(=O)N[C@H](CO)CN(C)C ZINC000716689806 712570477 /nfs/dbraw/zinc/57/04/77/712570477.db2.gz KDJYXBNARAKKJA-ZETCQYMHSA-N 0 3 224.251 0.070 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)/C=C/c1ccccc1 ZINC000716736228 712571657 /nfs/dbraw/zinc/57/16/57/712571657.db2.gz QGPDLSOZXFXVHY-MMQHEFTJSA-N 0 3 248.326 0.739 20 0 BCADHN CCOC(=O)/C=C\CN[C@](C)(CO)COC ZINC000716805006 712575517 /nfs/dbraw/zinc/57/55/17/712575517.db2.gz SVKJTJBNXVXABA-ISALQUGTSA-N 0 3 231.292 0.093 20 0 BCADHN CCOC(CN[C@](C)(CO)COC)OCC ZINC000716874786 712579968 /nfs/dbraw/zinc/57/99/68/712579968.db2.gz UZGFOYSKJOQUBF-LLVKDONJSA-N 0 3 235.324 0.373 20 0 BCADHN Cc1nc(C)c(CN2C[C@@H](C)[C@@H](O)C2)[nH]1 ZINC000930163218 712616020 /nfs/dbraw/zinc/61/60/20/712616020.db2.gz RFNVOGBNLFYPPS-HQJQHLMTSA-N 0 3 209.293 0.839 20 0 BCADHN Cc1c(CNC(=O)[C@H](N)CC2CC2)cnn1C ZINC000379896651 712621715 /nfs/dbraw/zinc/62/17/15/712621715.db2.gz GJFTVLSEWXPWLW-LLVKDONJSA-N 0 3 236.319 0.472 20 0 BCADHN COCC[C@H](N)C(=O)Nc1ccc2nccn2c1 ZINC000884221246 712644227 /nfs/dbraw/zinc/64/42/27/712644227.db2.gz NRRBXNJPGORDMV-JTQLQIEISA-N 0 3 248.286 0.637 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1cnn2ccccc12 ZINC000717389105 712653115 /nfs/dbraw/zinc/65/31/15/712653115.db2.gz SVJGCALMAHAJJK-SKDRFNHKSA-N 0 3 235.287 0.166 20 0 BCADHN CCOc1cccc(CNC[C@@H](O)[C@@H](C)O)c1 ZINC000717397347 712654117 /nfs/dbraw/zinc/65/41/17/712654117.db2.gz RLFCNPZHPCCZRN-ZWNOBZJWSA-N 0 3 239.315 0.917 20 0 BCADHN COCC(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000717407426 712656123 /nfs/dbraw/zinc/65/61/23/712656123.db2.gz FQHPEHMAYJKTCB-ZJUUUORDSA-N 0 3 212.293 0.328 20 0 BCADHN Cc1sccc1CNC[C@H](O)[C@@H](C)O ZINC000717417265 712656708 /nfs/dbraw/zinc/65/67/08/712656708.db2.gz DKVKWWYIZKHVOP-XCBNKYQSSA-N 0 3 215.318 0.888 20 0 BCADHN Cc1ncncc1[C@H](C)NCCN1CCNC1=O ZINC000886744996 712657420 /nfs/dbraw/zinc/65/74/20/712657420.db2.gz LNIGBDDHAOGHFF-VIFPVBQESA-N 0 3 249.318 0.461 20 0 BCADHN Cc1ccncc1CNC[C@H](O)[C@@H](C)O ZINC000717428518 712657441 /nfs/dbraw/zinc/65/74/41/712657441.db2.gz QUUSRFIMEDICKV-KOLCDFICSA-N 0 3 210.277 0.221 20 0 BCADHN Cc1ncc(CNC[C@@H](O)[C@H](C)O)s1 ZINC000717423466 712657918 /nfs/dbraw/zinc/65/79/18/712657918.db2.gz ZKQUMHZUOSEDNX-IMTBSYHQSA-N 0 3 216.306 0.283 20 0 BCADHN N[C@H](CC1CC1)C(=O)N[C@H](CO)C1CCC1 ZINC000717649031 712663141 /nfs/dbraw/zinc/66/31/41/712663141.db2.gz KJGCJMPSRSDXDY-GHMZBOCLSA-N 0 3 226.320 0.391 20 0 BCADHN C[C@H]1CN(C(=O)COC2CC2)[C@@H](C)CN1 ZINC000717664722 712663520 /nfs/dbraw/zinc/66/35/20/712663520.db2.gz JHJOUTTYGNDFRY-IUCAKERBSA-N 0 3 212.293 0.374 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)CC(=O)NC1CC1 ZINC000037621525 712682324 /nfs/dbraw/zinc/68/23/24/712682324.db2.gz UGQKLOZQCXOMDM-GFCCVEGCSA-N 0 3 241.335 0.241 20 0 BCADHN Cc1nccc(CNC(=O)[C@H](N)CC2CC2)n1 ZINC000380046857 712684333 /nfs/dbraw/zinc/68/43/33/712684333.db2.gz KUDNVNUDXYBSGV-LLVKDONJSA-N 0 3 234.303 0.529 20 0 BCADHN Cc1cnc(CN[C@H](CO)C2CC2)cn1 ZINC000380192836 712710638 /nfs/dbraw/zinc/71/06/38/712710638.db2.gz PNCIWRQRAHPGLC-LLVKDONJSA-N 0 3 207.277 0.646 20 0 BCADHN CN(C)[C@H](C(=O)N1CCNCC1)c1ccccc1 ZINC000041299457 712719640 /nfs/dbraw/zinc/71/96/40/712719640.db2.gz VZHJIMWYEMJVOK-ZDUSSCGKSA-N 0 3 247.342 0.721 20 0 BCADHN Cc1coc(CNC[C@]2(O)CCOC2)c1 ZINC000718115037 712744038 /nfs/dbraw/zinc/74/40/38/712744038.db2.gz PJBCLSAHERIWEP-LLVKDONJSA-N 0 3 211.261 0.829 20 0 BCADHN CCCn1cc(NC(=O)[C@H](N)CC)ccc1=O ZINC000037766210 712755666 /nfs/dbraw/zinc/75/56/66/712755666.db2.gz KQVWFJJCMWSYRX-SNVBAGLBSA-N 0 3 237.303 0.934 20 0 BCADHN COCC(C)(C)CCNC(=O)[C@H](C)N ZINC000718933385 712788581 /nfs/dbraw/zinc/78/85/81/712788581.db2.gz CGMYSHPEWFDSIV-QMMMGPOBSA-N 0 3 202.298 0.513 20 0 BCADHN c1n[nH]cc1CN1CC[C@H](C2OCCO2)C1 ZINC000719076649 712795370 /nfs/dbraw/zinc/79/53/70/712795370.db2.gz MCKLSHAGNZBQHG-JTQLQIEISA-N 0 3 223.276 0.605 20 0 BCADHN CC[C@H](COC)NC(=O)c1c(CN)cnn1C ZINC000719189423 712799406 /nfs/dbraw/zinc/79/94/06/712799406.db2.gz BFQXPISPLSIRBX-SECBINFHSA-N 0 3 240.307 0.034 20 0 BCADHN Cn1ncc(CN)c1C(=O)NCCc1ccoc1 ZINC000719192523 712799704 /nfs/dbraw/zinc/79/97/04/712799704.db2.gz OPMGEUNZOCNTRV-UHFFFAOYSA-N 0 3 248.286 0.444 20 0 BCADHN Cn1ncc(CN)c1C(=O)NCC1CCCC1 ZINC000719244387 712801614 /nfs/dbraw/zinc/80/16/14/712801614.db2.gz MBXWJKALTWEOBA-UHFFFAOYSA-N 0 3 236.319 0.799 20 0 BCADHN Cn1ncc(CN)c1C(=O)NC[C@H]1CC1(C)C ZINC000719243480 712801635 /nfs/dbraw/zinc/80/16/35/712801635.db2.gz HQTISXFNQFKIEY-SECBINFHSA-N 0 3 236.319 0.655 20 0 BCADHN Cn1ncc(CN)c1C(=O)N[C@@H]1CCCC12CC2 ZINC000719258251 712801958 /nfs/dbraw/zinc/80/19/58/712801958.db2.gz WGJZPQDTPAQFNG-SNVBAGLBSA-N 0 3 248.330 0.941 20 0 BCADHN Cn1ncc(CN)c1C(=O)NCCC1CC1 ZINC000719257127 712802212 /nfs/dbraw/zinc/80/22/12/712802212.db2.gz RBCQQCSAFHVQQC-UHFFFAOYSA-N 0 3 222.292 0.409 20 0 BCADHN Cn1ncc(CN)c1C(=O)N1CCC2(CCC2)C1 ZINC000719303693 712804027 /nfs/dbraw/zinc/80/40/27/712804027.db2.gz PYZRKYNMXDFRSM-UHFFFAOYSA-N 0 3 248.330 0.895 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2ccn(C)c(=O)c2)CCN1C ZINC000719348111 712805185 /nfs/dbraw/zinc/80/51/85/712805185.db2.gz YSUWQIYZJDQGQR-MWLCHTKSSA-N 0 3 249.314 0.208 20 0 BCADHN C[C@@H]1[C@@H](NC(=S)NC2CC2)CCN1C ZINC000719365905 712805778 /nfs/dbraw/zinc/80/57/78/712805778.db2.gz LTYINXQRIQLZFV-APPZFPTMSA-N 0 3 213.350 0.706 20 0 BCADHN C[C@H]1[C@H](NC(=O)N2CCCC2)CCN1C ZINC000719374403 712806344 /nfs/dbraw/zinc/80/63/44/712806344.db2.gz SFRGEHUJXRPVBM-VHSXEESVSA-N 0 3 211.309 0.884 20 0 BCADHN C[C@H]1[C@H](NC(=O)NC2CCC2)CCN1C ZINC000719373489 712806433 /nfs/dbraw/zinc/80/64/33/712806433.db2.gz NLRJGTQXPGIFCL-WCBMZHEXSA-N 0 3 211.309 0.931 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)N2CCOCC2)CCN1C ZINC000719375202 712806830 /nfs/dbraw/zinc/80/68/30/712806830.db2.gz XYTVFQFMLDTVKY-ZJUUUORDSA-N 0 3 227.308 0.121 20 0 BCADHN CO[C@H](C)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000719433300 712807217 /nfs/dbraw/zinc/80/72/17/712807217.db2.gz CTTNSWBVZKXEEW-IWSPIJDZSA-N 0 3 200.282 0.230 20 0 BCADHN C[C@H](N)C(=O)NCc1ncc(Cl)s1 ZINC000719438932 712807834 /nfs/dbraw/zinc/80/78/34/712807834.db2.gz BHKPGJMOGNGFPN-BYPYZUCNSA-N 0 3 219.697 0.760 20 0 BCADHN Cc1c[nH]c(CN[C@@H]2CCN(C)[C@@H]2C)n1 ZINC000719569048 712810440 /nfs/dbraw/zinc/81/04/40/712810440.db2.gz HEOLSQPHFRSJMO-NXEZZACHSA-N 0 3 208.309 0.900 20 0 BCADHN CCn1ccnc(N[C@H]2CCN(C)[C@H]2C)c1=O ZINC000719570971 712811210 /nfs/dbraw/zinc/81/12/10/712811210.db2.gz FKIDZKLAWMVPRL-UWVGGRQHSA-N 0 3 236.319 0.768 20 0 BCADHN Cc1cc(CN[C@@H]2CCN(C)[C@@H]2C)nn1C ZINC000719575172 712812028 /nfs/dbraw/zinc/81/20/28/712812028.db2.gz FOVFORRTYKJKMO-ZYHUDNBSSA-N 0 3 222.336 0.911 20 0 BCADHN CNC(=O)CN1CCC[C@@H](C(C)(C)O)C1 ZINC000719688650 712821359 /nfs/dbraw/zinc/82/13/59/712821359.db2.gz OWCHLWUNIVPFHF-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H](O)CN(C)CCc1ccns1 ZINC000719847436 712825913 /nfs/dbraw/zinc/82/59/13/712825913.db2.gz ZIIVUSHGFHOXCB-MRVPVSSYSA-N 0 3 200.307 0.998 20 0 BCADHN COC(OC)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720810522 712867376 /nfs/dbraw/zinc/86/73/76/712867376.db2.gz LNDLVINCZRFIQI-ZJUUUORDSA-N 0 3 242.319 0.300 20 0 BCADHN CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720851375 712870429 /nfs/dbraw/zinc/87/04/29/712870429.db2.gz QWAFWODWTVJROX-ZJUUUORDSA-N 0 3 211.309 0.884 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720877432 712872805 /nfs/dbraw/zinc/87/28/05/712872805.db2.gz NHESLNFRHPCLTH-GMTAPVOTSA-N 0 3 226.320 0.716 20 0 BCADHN Cn1ncc(Cl)c1CNC[C@H]1C[C@H](O)C1 ZINC000720915610 712878306 /nfs/dbraw/zinc/87/83/06/712878306.db2.gz WOFQOTNIJVZNDV-ZKCHVHJHSA-N 0 3 229.711 0.934 20 0 BCADHN COC(=O)c1coc(CNC[C@H]2C[C@H](O)C2)c1 ZINC000720951998 712881798 /nfs/dbraw/zinc/88/17/98/712881798.db2.gz VCBXTZUNLQSIRY-CZMCAQCFSA-N 0 3 239.271 0.927 20 0 BCADHN CCOCC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000721055684 712889019 /nfs/dbraw/zinc/88/90/19/712889019.db2.gz MWVWRXCUGACRKI-CYBMUJFWSA-N 0 3 248.326 0.854 20 0 BCADHN CN(C)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000721134597 712892405 /nfs/dbraw/zinc/89/24/05/712892405.db2.gz NUWNVYBLOSSIHC-LBPRGKRZSA-N 0 3 233.315 0.972 20 0 BCADHN CC(=O)NC[C@@H]1CCN1CC[C@@H](C)F ZINC001037984070 712895459 /nfs/dbraw/zinc/89/54/59/712895459.db2.gz CCWIRXJCTGSNAP-SCZZXKLOSA-N 0 3 202.273 0.945 20 0 BCADHN CN1CCO[C@@H]2CN(c3cccc(N)n3)C[C@H]21 ZINC001164669115 719381331 /nfs/dbraw/zinc/38/13/31/719381331.db2.gz PYKZUBNJKOSOHG-NXEZZACHSA-N 0 3 234.303 0.183 20 0 BCADHN C[C@@H]1CN(c2ncnc3c2CNC3)[C@H](C)CN1C ZINC001164635903 719179955 /nfs/dbraw/zinc/17/99/55/719179955.db2.gz MAVOULLBOQGUED-NXEZZACHSA-N 0 3 247.346 0.609 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1c1ccnc(N)n1 ZINC001120914527 719223713 /nfs/dbraw/zinc/22/37/13/719223713.db2.gz QSXIBHGBMBVBAV-DTWKUNHWSA-N 0 3 221.308 0.588 20 0 BCADHN CCCCN(C)C(=O)CNC(=O)[C@H](N)C(C)C ZINC000336712637 398135327 /nfs/dbraw/zinc/13/53/27/398135327.db2.gz ODEHXMXSDLAUQS-LLVKDONJSA-N 0 3 243.351 0.344 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000638695670 352533444 /nfs/dbraw/zinc/53/34/44/352533444.db2.gz QDCNCHABYHCKLL-HBNTYKKESA-N 0 3 226.320 0.653 20 0 BCADHN C[C@H]1CN(CCCN2CCCC2=O)CC[C@@H]1O ZINC000547974913 398135515 /nfs/dbraw/zinc/13/55/15/398135515.db2.gz PTYLCTNHBKJHGF-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN COC(=O)CCN1CC[C@H](C)[C@@H](O)C1 ZINC000093332968 343976365 /nfs/dbraw/zinc/97/63/65/343976365.db2.gz KKZBIFMBESVOIJ-IUCAKERBSA-N 0 3 201.266 0.252 20 0 BCADHN Cc1noc(C)c1CCN1CC[C@H](O)C1 ZINC000076642938 136208350 /nfs/dbraw/zinc/20/83/50/136208350.db2.gz DERPBDVSIWKCQG-JTQLQIEISA-N 0 3 210.277 0.901 20 0 BCADHN Cc1nc(C(=O)N2CCC[C@H]2CN(C)C)no1 ZINC000408007674 136208939 /nfs/dbraw/zinc/20/89/39/136208939.db2.gz JSMPDBOWDMWIPO-VIFPVBQESA-N 0 3 238.291 0.544 20 0 BCADHN CN(CC(N)=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268505746 398138261 /nfs/dbraw/zinc/13/82/61/398138261.db2.gz BFOWFZXAOFPCEF-ZDUSSCGKSA-N 0 3 247.342 0.678 20 0 BCADHN CC[C@H](O)CNCc1ccnc(OC)c1 ZINC000062070147 349437516 /nfs/dbraw/zinc/43/75/16/349437516.db2.gz QCZBVLBPHPWZRA-JTQLQIEISA-N 0 3 210.277 0.951 20 0 BCADHN OCCCN(CCN1CCOCC1)C1CC1 ZINC000309060166 349439297 /nfs/dbraw/zinc/43/92/97/349439297.db2.gz WQXUMKQRCOAIBG-UHFFFAOYSA-N 0 3 228.336 0.165 20 0 BCADHN CC(C(=O)N[C@@]1(C)CCCOC1)S(C)(=O)=O ZINC000408094539 136210493 /nfs/dbraw/zinc/21/04/93/136210493.db2.gz SPVUBUZFFKAKHT-WPRPVWTQSA-N 0 3 249.332 0.105 20 0 BCADHN CCN(CCCO)[C@@H](C)C(=O)NCCCOC ZINC000161432579 349446905 /nfs/dbraw/zinc/44/69/05/349446905.db2.gz PFAVYXJFBNPKQT-NSHDSACASA-N 0 3 246.351 0.232 20 0 BCADHN CC[C@H](O)CN1CCN(CCOC)CC1(C)C ZINC000649850126 398139669 /nfs/dbraw/zinc/13/96/69/398139669.db2.gz ZXJGZNBPTYUYFZ-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN Cn1nnnc1N1CC[C@]2(C1)CCCN(C)C2 ZINC000549575585 398139937 /nfs/dbraw/zinc/13/99/37/398139937.db2.gz BSIZLULQRQADQR-LLVKDONJSA-N 0 3 236.323 0.132 20 0 BCADHN CCC(CC)(CCO)CNC(=O)CN ZINC000236628587 168318855 /nfs/dbraw/zinc/31/88/55/168318855.db2.gz WQAJISCBWHPLGA-UHFFFAOYSA-N 0 3 202.298 0.250 20 0 BCADHN CN(CCc1ccccn1)CCN1CCOCC1 ZINC000070943592 398141534 /nfs/dbraw/zinc/14/15/34/398141534.db2.gz BRHIYDFTHMWFTE-UHFFFAOYSA-N 0 3 249.358 0.888 20 0 BCADHN COCCCC(=O)NCCN(C)CCOC ZINC000171128023 346808618 /nfs/dbraw/zinc/80/86/18/346808618.db2.gz WXRCNTHHFXGXDD-UHFFFAOYSA-N 0 3 232.324 0.107 20 0 BCADHN COCCCN(C)CCCCS(C)(=O)=O ZINC000161655293 538917379 /nfs/dbraw/zinc/91/73/79/538917379.db2.gz YKKMGTOXILAEKV-UHFFFAOYSA-N 0 3 237.365 0.780 20 0 BCADHN COC(=O)[C@H](C)NC(=O)C12CCCN1CCC2 ZINC000407996987 398143121 /nfs/dbraw/zinc/14/31/21/398143121.db2.gz NUMZIDQAFBJKGX-VIFPVBQESA-N 0 3 240.303 0.293 20 0 BCADHN CCCN1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000605422513 343978180 /nfs/dbraw/zinc/97/81/80/343978180.db2.gz GQMNSVFCLZTATG-UHFFFAOYSA-N 0 3 223.324 0.641 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@@H](C)O[C@@H](CC)C1 ZINC000155637416 136213075 /nfs/dbraw/zinc/21/30/75/136213075.db2.gz HLBAPUUKUZSFLL-UTLUCORTSA-N 0 3 214.309 0.750 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@@H](C)O[C@H](CC)C1 ZINC000155637300 136213093 /nfs/dbraw/zinc/21/30/93/136213093.db2.gz HLBAPUUKUZSFLL-BBBLOLIVSA-N 0 3 214.309 0.750 20 0 BCADHN O=C(Nc1ccccn1)N1CCOC2(CNC2)C1 ZINC000623065335 349473726 /nfs/dbraw/zinc/47/37/26/349473726.db2.gz ZFTDFRVIKNYWSE-UHFFFAOYSA-N 0 3 248.286 0.288 20 0 BCADHN O=C(Nc1ccnc2ccnn21)[C@]1(F)CCNC1 ZINC000155605843 136213259 /nfs/dbraw/zinc/21/32/59/136213259.db2.gz DVIDYEMENLBRCD-NSHDSACASA-N 0 3 249.249 0.369 20 0 BCADHN COCCN(C)CCNC(=O)Cc1ccco1 ZINC000268812057 538918148 /nfs/dbraw/zinc/91/81/48/538918148.db2.gz JJLKQCIOYOEXSA-UHFFFAOYSA-N 0 3 240.303 0.517 20 0 BCADHN O=S1(=O)CCC[C@@H](N[C@H]2C[C@@H]2C(F)F)C1 ZINC000378708340 346812821 /nfs/dbraw/zinc/81/28/21/346812821.db2.gz RIVGVSJDJOUQGF-CSMHCCOUSA-N 0 3 239.287 0.807 20 0 BCADHN O=C1[C@@H](N(CCO)CC2CC2)CCN1C1CC1 ZINC000336678172 187321599 /nfs/dbraw/zinc/32/15/99/187321599.db2.gz BGAICUPFKUUDLX-LBPRGKRZSA-N 0 3 238.331 0.454 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H]2COCCO2)CCN1C ZINC000408226680 136212493 /nfs/dbraw/zinc/21/24/93/136212493.db2.gz OUSXVOUJJFYLGX-MXWKQRLJSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@@]1(O)CCCN(CCn2ccccc2=O)C1 ZINC000161870383 538919677 /nfs/dbraw/zinc/91/96/77/538919677.db2.gz CFJCKGZZTUBJAD-CYBMUJFWSA-N 0 3 236.315 0.695 20 0 BCADHN Cc1nnsc1CNC[C@@H](O)C1CC1 ZINC000379632673 398158970 /nfs/dbraw/zinc/15/89/70/398158970.db2.gz PDPYMJWYNQWQKF-MRVPVSSYSA-N 0 3 213.306 0.707 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CCCOCC1 ZINC000061920477 187322732 /nfs/dbraw/zinc/32/27/32/187322732.db2.gz JRNYEWAHTSLUIF-SECBINFHSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@H](CCO)N(C)CCN1CCOCC1 ZINC000649867115 398147982 /nfs/dbraw/zinc/14/79/82/398147982.db2.gz FCPAQCAIXAPLLO-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN Cc1cc(CN2CC[C@H](C)[C@@H]2CO)ncn1 ZINC000292823943 178001466 /nfs/dbraw/zinc/00/14/66/178001466.db2.gz MHBPXXCCXPYELQ-CABZTGNLSA-N 0 3 221.304 0.988 20 0 BCADHN CS[C@@H](C)CNC(=O)[C@@]1(F)CCNC1 ZINC000125429792 398151738 /nfs/dbraw/zinc/15/17/38/398151738.db2.gz YUTNVXPNTCSLAU-IONNQARKSA-N 0 3 220.313 0.556 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N[C@H]1CCSC1 ZINC000379572842 398153064 /nfs/dbraw/zinc/15/30/64/398153064.db2.gz IIBYOOCOPYEPDJ-WDSKDSINSA-N 0 3 224.276 0.591 20 0 BCADHN C[C@H](CCO)N(C)C[C@H]1COCCO1 ZINC000649871018 398153407 /nfs/dbraw/zinc/15/34/07/398153407.db2.gz PVFHNUZADDCMGN-ZJUUUORDSA-N 0 3 203.282 0.105 20 0 BCADHN CC1(C)[C@@H]2CN(C(=O)COC3(C)CNC3)C[C@@H]21 ZINC000379551340 398154032 /nfs/dbraw/zinc/15/40/32/398154032.db2.gz BHXIRVOGDCHICG-AOOOYVTPSA-N 0 3 238.331 0.479 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](N)C(C)(C)C)on1 ZINC000045007208 178014455 /nfs/dbraw/zinc/01/44/55/178014455.db2.gz XAVAJSXHMNMRPM-SECBINFHSA-N 0 3 225.292 0.973 20 0 BCADHN O[C@@H](CNCCC(F)(F)F)Cn1cccn1 ZINC000063100252 349505823 /nfs/dbraw/zinc/50/58/23/349505823.db2.gz WISNOCSZWGIRAK-QMMMGPOBSA-N 0 3 237.225 0.786 20 0 BCADHN COCCC(C)(C)NCc1cnc(N)nc1N ZINC000638720206 398157787 /nfs/dbraw/zinc/15/77/87/398157787.db2.gz RZBPSRXIWBABLF-UHFFFAOYSA-N 0 3 239.323 0.206 20 0 BCADHN C[C@@H](C(=O)Nc1cnc2c(c1)CNCC2)N(C)C ZINC000649354668 398167511 /nfs/dbraw/zinc/16/75/11/398167511.db2.gz BWCPICCYSZCXMJ-VIFPVBQESA-N 0 3 248.330 0.616 20 0 BCADHN CN(CCN1CCCCC1)Cc1cnnn1C ZINC000649889948 398168589 /nfs/dbraw/zinc/16/85/89/398168589.db2.gz RBDOVUJWLGERSG-UHFFFAOYSA-N 0 3 237.351 0.733 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCN(C)C1 ZINC000162228573 538921720 /nfs/dbraw/zinc/92/17/20/538921720.db2.gz ZXRAMDXMLBNODR-WDEREUQCSA-N 0 3 248.392 0.493 20 0 BCADHN CO[C@@](C)(CN[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000390463236 398172889 /nfs/dbraw/zinc/17/28/89/398172889.db2.gz DMAJHIMIEMCMKF-MNOVXSKESA-N 0 3 247.360 0.578 20 0 BCADHN CC(C)SCC(=O)NC[C@H]1CNCCO1 ZINC000576219839 365525441 /nfs/dbraw/zinc/52/54/41/365525441.db2.gz SYRLAAFOERXNLH-SECBINFHSA-N 0 3 232.349 0.233 20 0 BCADHN Cc1cc(CN[C@H](CO)C2CCOCC2)on1 ZINC000359856861 178038387 /nfs/dbraw/zinc/03/83/87/178038387.db2.gz CUUFYWQUTKLPIM-GFCCVEGCSA-N 0 3 240.303 0.860 20 0 BCADHN C[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1)n1cccn1 ZINC000649363333 398174320 /nfs/dbraw/zinc/17/43/20/398174320.db2.gz YIAJOHDDVSGUTL-UTLUCORTSA-N 0 3 240.282 0.260 20 0 BCADHN NC(=O)N1CCCN(C[C@H]2CCCCO2)CC1 ZINC000111687223 136216066 /nfs/dbraw/zinc/21/60/66/136216066.db2.gz XNNMOVFHKKMRNE-LLVKDONJSA-N 0 3 241.335 0.642 20 0 BCADHN OCC1(CN2CC[C@]3(CC3(F)F)C2)COC1 ZINC000649905097 398178421 /nfs/dbraw/zinc/17/84/21/398178421.db2.gz SUTYOBFVPZFCFO-JTQLQIEISA-N 0 3 233.258 0.726 20 0 BCADHN O=C1NCCC[C@H]1N1CC[C@]2(CC2(F)F)C1 ZINC000649907475 398180672 /nfs/dbraw/zinc/18/06/72/398180672.db2.gz SFNRTSAUTGUQHP-SCZZXKLOSA-N 0 3 230.258 0.996 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@@]2(CC2(F)F)C1 ZINC000649907476 398180960 /nfs/dbraw/zinc/18/09/60/398180960.db2.gz SFNRTSAUTGUQHP-WCBMZHEXSA-N 0 3 230.258 0.996 20 0 BCADHN CCN(C)C(=O)CN(C)CCN1CCCC1 ZINC000340904348 398181143 /nfs/dbraw/zinc/18/11/43/398181143.db2.gz RDKPRACTIFVONS-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN O=C1CC[C@@H](CN2CC[C@]3(CC3(F)F)C2)N1 ZINC000649909860 398181906 /nfs/dbraw/zinc/18/19/06/398181906.db2.gz XHMXZRKNCMCXGA-WPRPVWTQSA-N 0 3 230.258 0.996 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)CCN1CCCCC1 ZINC000649886891 398165345 /nfs/dbraw/zinc/16/53/45/398165345.db2.gz UBDSNGLNPHUVIJ-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CCOC[C@H](O)CN(C)CCN1CCCCC1 ZINC000649888384 398166448 /nfs/dbraw/zinc/16/64/48/398166448.db2.gz PXWZEBWJFHKTMQ-CYBMUJFWSA-N 0 3 244.379 0.802 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N[C@H]1C=CCCC1 ZINC000649374423 398186336 /nfs/dbraw/zinc/18/63/36/398186336.db2.gz CWBIQXCCKHDCCZ-RYUDHWBXSA-N 0 3 238.331 0.980 20 0 BCADHN CC(C)[C@@H]1C[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000574889042 398186345 /nfs/dbraw/zinc/18/63/45/398186345.db2.gz ONGRXBJIGOJPDU-BJDJZHNGSA-N 0 3 240.347 0.412 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@@H]([C@H](C)O)C1 ZINC000576223910 365526929 /nfs/dbraw/zinc/52/69/29/365526929.db2.gz VQJQAWFLYUWESH-WDEREUQCSA-N 0 3 243.351 0.397 20 0 BCADHN CNC(=O)c1ccc(CN[C@@H]2CCOC2)cc1 ZINC000112758214 187326510 /nfs/dbraw/zinc/32/65/10/187326510.db2.gz IYEUJSZCLOYWFQ-GFCCVEGCSA-N 0 3 234.299 0.925 20 0 BCADHN CCO[C@H](C)C(=O)NCCN1CC[C@H](C)C1 ZINC000558675822 398191023 /nfs/dbraw/zinc/19/10/23/398191023.db2.gz BMEHGZFNRZAOQA-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN COC[C@H](C)NCc1ccc(C(=O)OC)[nH]1 ZINC000086329582 398191138 /nfs/dbraw/zinc/19/11/38/398191138.db2.gz DTNXYKZETOYOQU-QMMMGPOBSA-N 0 3 226.276 0.926 20 0 BCADHN C[C@H]1CCNC(=O)[C@H]1NCCC(C)(C)O ZINC000309106746 136217842 /nfs/dbraw/zinc/21/78/42/136217842.db2.gz IFIVZYZWRZIOFE-IUCAKERBSA-N 0 3 214.309 0.262 20 0 BCADHN CO[C@H](CN)C(=O)N(C)[C@@H](C)CCSC ZINC000227408609 536554772 /nfs/dbraw/zinc/55/47/72/536554772.db2.gz OGBGBWMLXFNYJB-DTWKUNHWSA-N 0 3 234.365 0.560 20 0 BCADHN CC[C@@]1(NCc2n[nH]c(C)n2)CCOC1 ZINC000380348414 398196337 /nfs/dbraw/zinc/19/63/37/398196337.db2.gz UPBGFWWSYVLGFJ-SNVBAGLBSA-N 0 3 210.281 0.772 20 0 BCADHN CCN1CCN(Cc2cn[nH]n2)C[C@H]1C ZINC000649395985 398197055 /nfs/dbraw/zinc/19/70/55/398197055.db2.gz FSEGSQMPFVJAMB-SECBINFHSA-N 0 3 209.297 0.331 20 0 BCADHN CCN(CC(F)F)C(=O)CN1CCNCC1 ZINC000386179168 398198528 /nfs/dbraw/zinc/19/85/28/398198528.db2.gz GECIAMCPGKITTD-UHFFFAOYSA-N 0 3 235.278 0.005 20 0 BCADHN C[C@H]1OCCN(C(=O)COC2(C)CNC2)[C@H]1C ZINC000380559484 398200704 /nfs/dbraw/zinc/20/07/04/398200704.db2.gz KQNRFUIIOWYQIB-VHSXEESVSA-N 0 3 242.319 0.001 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000576293474 365556246 /nfs/dbraw/zinc/55/62/46/365556246.db2.gz YGWLHTHXAGVZFY-YUSALJHKSA-N 0 3 240.347 0.914 20 0 BCADHN C[C@@](O)(CN[C@H]1CCC[C@@H]1O)C(F)(F)F ZINC000634729055 398201950 /nfs/dbraw/zinc/20/19/50/398201950.db2.gz XDFBZVJERMEYBL-BIIVOSGPSA-N 0 3 227.226 0.803 20 0 BCADHN Cn1nncc1CNC1(CO)CCCCC1 ZINC000162747084 538924820 /nfs/dbraw/zinc/92/48/20/538924820.db2.gz AJKJMMKARWDAPK-UHFFFAOYSA-N 0 3 224.308 0.600 20 0 BCADHN COc1ccc(CNCCn2cncn2)cn1 ZINC000336706981 398204447 /nfs/dbraw/zinc/20/44/47/398204447.db2.gz NDKQHUCZWMFMGW-UHFFFAOYSA-N 0 3 233.275 0.472 20 0 BCADHN C[C@H]1CC(O)C[C@H](C)N1CCN1CCOCC1 ZINC000429290120 192027528 /nfs/dbraw/zinc/02/75/28/192027528.db2.gz CXILPIAWTZYZPL-RYUDHWBXSA-N 0 3 242.363 0.552 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc2c(cc1N)OCO2 ZINC000576280434 365549792 /nfs/dbraw/zinc/54/97/92/365549792.db2.gz XBLKKUMLQYNXSG-LURJTMIESA-N 0 3 237.259 0.673 20 0 BCADHN Cn1cc(CNCC[C@H](O)C(F)(F)F)cn1 ZINC000336713649 398206517 /nfs/dbraw/zinc/20/65/17/398206517.db2.gz UMEYDXPLXDRDPJ-QMMMGPOBSA-N 0 3 237.225 0.823 20 0 BCADHN CC[C@@H](N)C(=O)NCc1nnc(C(C)C)n1C ZINC000573088510 398208577 /nfs/dbraw/zinc/20/85/77/398208577.db2.gz RQANEAHTTALOHA-MRVPVSSYSA-N 0 3 239.323 0.292 20 0 BCADHN Cc1noc([C@H](C)NC(=O)CN(C)C(C)C)n1 ZINC000330399954 398213346 /nfs/dbraw/zinc/21/33/46/398213346.db2.gz RVWWWEJRMDJYDN-QMMMGPOBSA-N 0 3 240.307 0.895 20 0 BCADHN CSCC[C@@H](C)N(C)CC(=O)NC(N)=O ZINC000126561603 398219756 /nfs/dbraw/zinc/21/97/56/398219756.db2.gz RXALQOLNYZCGCN-SSDOTTSWSA-N 0 3 233.337 0.255 20 0 BCADHN Cc1cc(NC(=O)[C@@H](C)NC2CC2)n[nH]1 ZINC000296582593 178143078 /nfs/dbraw/zinc/14/30/78/178143078.db2.gz XAAOBKOYGZYMOF-SSDOTTSWSA-N 0 3 208.265 0.797 20 0 BCADHN CC[C@@H](C(=O)N1CCc2n[nH]nc2C1)N(C)C ZINC000338962787 187328375 /nfs/dbraw/zinc/32/83/75/187328375.db2.gz GXQBSOFAOHWFDQ-JTQLQIEISA-N 0 3 237.307 0.030 20 0 BCADHN C[C@@H](NCCN1CCC1)c1cnn(C)c1 ZINC000336762990 398215381 /nfs/dbraw/zinc/21/53/81/398215381.db2.gz OQRVPXLMOQZYJW-SNVBAGLBSA-N 0 3 208.309 0.776 20 0 BCADHN C[C@H]1CCN(CCC(C)(C)O)[C@@H](C(N)=O)C1 ZINC000426210610 398215933 /nfs/dbraw/zinc/21/59/33/398215933.db2.gz ZUFHEHAMBMQAEX-VHSXEESVSA-N 0 3 228.336 0.733 20 0 BCADHN COCC[C@@H](CO)NCc1cnc(OC)s1 ZINC000380986745 398216037 /nfs/dbraw/zinc/21/60/37/398216037.db2.gz DFLSGFOIMOEFMJ-QMMMGPOBSA-N 0 3 246.332 0.639 20 0 BCADHN CC(=O)C1(C(=O)NC[C@@H]2CCN(C)C2)CC1 ZINC000339060217 187328844 /nfs/dbraw/zinc/32/88/44/187328844.db2.gz GUYCUGRVWCESPP-JTQLQIEISA-N 0 3 224.304 0.424 20 0 BCADHN C[C@@H](CO)CN[C@H](CO)c1ccccc1 ZINC000163242868 538927269 /nfs/dbraw/zinc/92/72/69/538927269.db2.gz BHEQHLUANOJCTC-ZYHUDNBSSA-N 0 3 209.289 0.938 20 0 BCADHN CC(=O)NCCN(C)CCO[C@H]1CCCCO1 ZINC000520806479 398210129 /nfs/dbraw/zinc/21/01/29/398210129.db2.gz TUUBGCKZXQBGFQ-LBPRGKRZSA-N 0 3 244.335 0.598 20 0 BCADHN CCC(CC)CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358062277 168345277 /nfs/dbraw/zinc/34/52/77/168345277.db2.gz HGLRPLYVQFIWND-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](O)C[C@H](CNC(=O)CN)c1ccccc1 ZINC000237390728 187329681 /nfs/dbraw/zinc/32/96/81/187329681.db2.gz NCWPHOJNHWQTEK-ZYHUDNBSSA-N 0 3 236.315 0.616 20 0 BCADHN C([C@H]1CCOC1)N1CCN(C2CC2)CC1 ZINC000336378503 187329699 /nfs/dbraw/zinc/32/96/99/187329699.db2.gz YZXZTRSVXFJRCV-LLVKDONJSA-N 0 3 210.321 0.803 20 0 BCADHN CN(CCN1CCCC1)CC(=O)NC1CC1 ZINC000163364150 538928110 /nfs/dbraw/zinc/92/81/10/538928110.db2.gz FEIGVUJQWVQEMW-UHFFFAOYSA-N 0 3 225.336 0.293 20 0 BCADHN CSCC[C@H](CO)NCc1ccc(CO)o1 ZINC000166768909 398212554 /nfs/dbraw/zinc/21/25/54/398212554.db2.gz BDKUXPSKBCXKTK-SECBINFHSA-N 0 3 245.344 0.976 20 0 BCADHN CCn1nncc1CN[C@H](CO)C1CCCC1 ZINC000576325099 365566993 /nfs/dbraw/zinc/56/69/93/365566993.db2.gz WHUQXEQFHTWYKE-GFCCVEGCSA-N 0 3 238.335 0.939 20 0 BCADHN CSCC[C@H](C)N(C)CC(=O)NC(N)=O ZINC000126561365 398219741 /nfs/dbraw/zinc/21/97/41/398219741.db2.gz RXALQOLNYZCGCN-ZETCQYMHSA-N 0 3 233.337 0.255 20 0 BCADHN CCc1noc(CN2C[C@@H]3CCN(C)[C@@H]3C2)n1 ZINC000650038963 398224989 /nfs/dbraw/zinc/22/49/89/398224989.db2.gz JRSVQXSBJVGADA-VHSXEESVSA-N 0 3 236.319 0.768 20 0 BCADHN C[C@H](CNCCCOC(F)F)S(C)(=O)=O ZINC000576393154 365584085 /nfs/dbraw/zinc/58/40/85/365584085.db2.gz UXTSNLKDSZUZAX-SSDOTTSWSA-N 0 3 245.291 0.638 20 0 BCADHN CCN(C(=O)N1CCN(C)C[C@@H]1CN)C(C)C ZINC000649422768 398222023 /nfs/dbraw/zinc/22/20/23/398222023.db2.gz VQEDYVJKJWYIMZ-NSHDSACASA-N 0 3 242.367 0.411 20 0 BCADHN COC[C@H](O)CCNCc1cnc(OC)s1 ZINC000381077568 398223048 /nfs/dbraw/zinc/22/30/48/398223048.db2.gz QPCLUUQFWFKDNH-MRVPVSSYSA-N 0 3 246.332 0.639 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1nc(C(N)=O)cs1 ZINC000262703711 187331591 /nfs/dbraw/zinc/33/15/91/187331591.db2.gz KVHMRGFPDDYAQN-LURJTMIESA-N 0 3 242.304 0.164 20 0 BCADHN CC(C)[N@H+](C)CC(=O)NCCCc1nnc[n-]1 ZINC000576452395 365600244 /nfs/dbraw/zinc/60/02/44/365600244.db2.gz IZGAEQXCGOJFFF-UHFFFAOYSA-N 0 3 239.323 0.194 20 0 BCADHN CC(C)[N@@H+](C)CC(=O)NCCCc1nnc[n-]1 ZINC000576452395 365600249 /nfs/dbraw/zinc/60/02/49/365600249.db2.gz IZGAEQXCGOJFFF-UHFFFAOYSA-N 0 3 239.323 0.194 20 0 BCADHN CC(C)N(C)CC(=O)NCCCc1nnc[nH]1 ZINC000576452395 365600259 /nfs/dbraw/zinc/60/02/59/365600259.db2.gz IZGAEQXCGOJFFF-UHFFFAOYSA-N 0 3 239.323 0.194 20 0 BCADHN CNS(=O)(=O)CCNCc1ccc(C)s1 ZINC000190302913 398227641 /nfs/dbraw/zinc/22/76/41/398227641.db2.gz GXOOUAZZRAJXLV-UHFFFAOYSA-N 0 3 248.373 0.695 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@@H](OC)C1 ZINC000129360250 343988615 /nfs/dbraw/zinc/98/86/15/343988615.db2.gz KMNAHHZGJJHKLO-RKDXNWHRSA-N 0 3 200.282 0.361 20 0 BCADHN CCCC(=O)NCC(=O)NC1CCN(C)CC1 ZINC000080157407 398228475 /nfs/dbraw/zinc/22/84/75/398228475.db2.gz AUDZAZJSZBKMNK-UHFFFAOYSA-N 0 3 241.335 0.113 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C(C)(C)C(N)=O)CCN1C ZINC000683485682 488174254 /nfs/dbraw/zinc/17/42/54/488174254.db2.gz FRUDPFSBJFYPLL-IUCAKERBSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H](C)CCC(=O)NCCN1CC[C@H](O)C1 ZINC000629916608 361774238 /nfs/dbraw/zinc/77/42/38/361774238.db2.gz ADDCWUTUFHEKMX-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CCC(CC)CNC(=O)COC1CNC1 ZINC000309507953 168354509 /nfs/dbraw/zinc/35/45/09/168354509.db2.gz NYVJVERBVRRRDO-UHFFFAOYSA-N 0 3 214.309 0.527 20 0 BCADHN Cc1cc([C@@H](C)NC[C@H](O)CN(C)C)no1 ZINC000330364556 178227989 /nfs/dbraw/zinc/22/79/89/178227989.db2.gz REICTAGUCYUMKV-ZJUUUORDSA-N 0 3 227.308 0.556 20 0 BCADHN CCCC[C@H](COC)N[C@H](C)C(N)=O ZINC000164552346 538933679 /nfs/dbraw/zinc/93/36/79/538933679.db2.gz RMMHIWAITVVLJT-RKDXNWHRSA-N 0 3 202.298 0.655 20 0 BCADHN CCC[C@@H](C)[C@@H](CO)NCc1cnnn1C ZINC000517747614 259303608 /nfs/dbraw/zinc/30/36/08/259303608.db2.gz ZLPOPCMBQCRGPK-MWLCHTKSSA-N 0 3 226.324 0.702 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(Cc2cncnc2)C1 ZINC000430761168 398231293 /nfs/dbraw/zinc/23/12/93/398231293.db2.gz JIUDFDOONDFHCT-LBPRGKRZSA-N 0 3 234.303 0.435 20 0 BCADHN CC(C)CCC(=O)NCCN1CC[C@H](O)C1 ZINC000629910715 361765479 /nfs/dbraw/zinc/76/54/79/361765479.db2.gz VGOZKVGYDNCEBZ-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN COC[C@]1(C(=O)NCCSC)CCCCN1 ZINC000602436807 349523428 /nfs/dbraw/zinc/52/34/28/349523428.db2.gz QPIZTFOSOWYZMN-NSHDSACASA-N 0 3 246.376 0.624 20 0 BCADHN C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCCN1C ZINC000334317553 136225323 /nfs/dbraw/zinc/22/53/23/136225323.db2.gz QPIRVTMACBGXHE-MNOVXSKESA-N 0 3 225.336 0.243 20 0 BCADHN CCOC(=O)CNC(=O)[C@@H](N)CCC(C)C ZINC000602439921 349526387 /nfs/dbraw/zinc/52/63/87/349526387.db2.gz RDLSZEMQVNRDTC-VIFPVBQESA-N 0 3 230.308 0.429 20 0 BCADHN CN(CC(=O)N1CCCOCC1)C1CCC1 ZINC000629953159 361798851 /nfs/dbraw/zinc/79/88/51/361798851.db2.gz JYGKYUKKCMYVDK-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CCOC[C@@H]1C ZINC000432439324 398236882 /nfs/dbraw/zinc/23/68/82/398236882.db2.gz BNXVLRKMOFFKLW-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1cc([C@@H]2CCCN2C(=O)[C@@H](C)N)on1 ZINC000037820298 178241966 /nfs/dbraw/zinc/24/19/66/178241966.db2.gz GOKIXGDQEKRXGD-BDAKNGLRSA-N 0 3 223.276 0.994 20 0 BCADHN Cc1cc([C@H](C)NC[C@@H](O)CN(C)C)no1 ZINC000330364555 178248535 /nfs/dbraw/zinc/24/85/35/178248535.db2.gz REICTAGUCYUMKV-VHSXEESVSA-N 0 3 227.308 0.556 20 0 BCADHN CN(CC(=O)N1CC(n2ccnc2)C1)C1CCC1 ZINC000629961125 361806507 /nfs/dbraw/zinc/80/65/07/361806507.db2.gz JATAWIVJEDBENE-UHFFFAOYSA-N 0 3 248.330 0.751 20 0 BCADHN Cc1cc(CNC(=O)CN(C)C2CCC2)[nH]n1 ZINC000629962705 361809628 /nfs/dbraw/zinc/80/96/28/361809628.db2.gz WZZDHJPWQPTEFS-UHFFFAOYSA-N 0 3 236.319 0.819 20 0 BCADHN Cc1cc(CNC(=O)CN(C)C2CCC2)n[nH]1 ZINC000629962705 361809634 /nfs/dbraw/zinc/80/96/34/361809634.db2.gz WZZDHJPWQPTEFS-UHFFFAOYSA-N 0 3 236.319 0.819 20 0 BCADHN Cn1nccc1CNCCC[S@@](C)=O ZINC000128850275 136227114 /nfs/dbraw/zinc/22/71/14/136227114.db2.gz WHMSNRSKJWSBQB-AWEZNQCLSA-N 0 3 215.322 0.278 20 0 BCADHN CN(CC(=O)N1CCc2n[nH]nc2C1)C1CCC1 ZINC000629965524 361813958 /nfs/dbraw/zinc/81/39/58/361813958.db2.gz VUGMUPKPMQVZNI-UHFFFAOYSA-N 0 3 249.318 0.174 20 0 BCADHN CN(CCN1CCCC1)[C@H]1CCN(C)C1=O ZINC000161977024 349528296 /nfs/dbraw/zinc/52/82/96/349528296.db2.gz VWRDQPNJFDCTPT-NSHDSACASA-N 0 3 225.336 0.245 20 0 BCADHN CN(CC(=O)NCc1ncc[nH]1)C1CCC1 ZINC000629959713 361803493 /nfs/dbraw/zinc/80/34/93/361803493.db2.gz JDUYXEDWWDYMOM-UHFFFAOYSA-N 0 3 222.292 0.510 20 0 BCADHN CN(C)CCN[C@H]1CCCc2nn(C)cc21 ZINC000336778182 398244543 /nfs/dbraw/zinc/24/45/43/398244543.db2.gz KOHSDJITHOTWOU-NSHDSACASA-N 0 3 222.336 0.949 20 0 BCADHN NC(=O)[C@]1(NCC23CCC(CC2)C3)CCOC1 ZINC000576527271 365618937 /nfs/dbraw/zinc/61/89/37/365618937.db2.gz VEQCCPOBRUKHOZ-GDKBPFBDSA-N 0 3 238.331 0.801 20 0 BCADHN CCOC[C@@H](O)CN[C@H]1CCC[C@H]1F ZINC000576578392 365629200 /nfs/dbraw/zinc/62/92/00/365629200.db2.gz QICKKNHDJPXVLD-AEJSXWLSSA-N 0 3 205.273 0.864 20 0 BCADHN CC(C)(N)C(=O)NC[C@H](CO)Cc1ccco1 ZINC000645409745 398248215 /nfs/dbraw/zinc/24/82/15/398248215.db2.gz AODLWLNKRFNZPP-SECBINFHSA-N 0 3 240.303 0.284 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1ccco1 ZINC000390756018 398247038 /nfs/dbraw/zinc/24/70/38/398247038.db2.gz HOPBWUKFQJYAKL-SECBINFHSA-N 0 3 208.261 0.894 20 0 BCADHN CCn1nnc(C)c1CNCC[C@H](C)O ZINC000576649539 365650968 /nfs/dbraw/zinc/65/09/68/365650968.db2.gz NMYZCSIGWMONRV-QMMMGPOBSA-N 0 3 212.297 0.467 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCC(CCO)CC1 ZINC000400975232 259310231 /nfs/dbraw/zinc/31/02/31/259310231.db2.gz OSZCWRMZAUPGFQ-JTQLQIEISA-N 0 3 240.347 0.748 20 0 BCADHN CN(CC(=O)N1CCc2c[nH]nc2C1)C1CCC1 ZINC000629975159 361824422 /nfs/dbraw/zinc/82/44/22/361824422.db2.gz VSFSVHZUORIKMK-UHFFFAOYSA-N 0 3 248.330 0.779 20 0 BCADHN CN(C)CC(=O)N1CCCC[C@@H]1CN(C)C ZINC000176076313 365657220 /nfs/dbraw/zinc/65/72/20/365657220.db2.gz QGTTWILBWCLMIH-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN Cc1cnn(C)c1CN(C)CC1CC(O)C1 ZINC000289908918 538946143 /nfs/dbraw/zinc/94/61/43/538946143.db2.gz XVZDXTRXEGOZMH-UHFFFAOYSA-N 0 3 223.320 0.931 20 0 BCADHN COCCCN1CCNC[C@@H]1c1nccn1C ZINC000576755495 365678386 /nfs/dbraw/zinc/67/83/86/365678386.db2.gz NNEIZGOCEPCFLY-LLVKDONJSA-N 0 3 238.335 0.403 20 0 BCADHN Cc1nnsc1CNC[C@]1(O)CCO[C@H]1C ZINC000381459912 398258773 /nfs/dbraw/zinc/25/87/73/398258773.db2.gz JIPZKBKHEJGISY-WCBMZHEXSA-N 0 3 243.332 0.476 20 0 BCADHN C[C@@H]1CN(C(=O)CN)C[C@H](C(F)(F)F)O1 ZINC000381371203 398254650 /nfs/dbraw/zinc/25/46/50/398254650.db2.gz HOVWMDMQQKJISH-PHDIDXHHSA-N 0 3 226.198 0.123 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N[C@@H]1CC=CCC1 ZINC000517753661 259311714 /nfs/dbraw/zinc/31/17/14/259311714.db2.gz QJQKBOYVCPJZFC-ZJUUUORDSA-N 0 3 240.303 0.492 20 0 BCADHN Cc1cccc(CNC[C@@](C)(O)CO)c1F ZINC000384452576 398259329 /nfs/dbraw/zinc/25/93/29/398259329.db2.gz HJLDMMIBLJSBFU-GFCCVEGCSA-N 0 3 227.279 0.967 20 0 BCADHN COC(=O)[C@@H]1CCN(Cc2ccc(=O)[nH]c2)C1 ZINC000602445136 349546027 /nfs/dbraw/zinc/54/60/27/349546027.db2.gz SQUHNDZBFCMVHR-SNVBAGLBSA-N 0 3 236.271 0.782 20 0 BCADHN CCN[C@@H](C)C(=O)NCCCCC(=O)OC ZINC000602451091 349552076 /nfs/dbraw/zinc/55/20/76/349552076.db2.gz ZXMGHXFOWPYEQE-VIFPVBQESA-N 0 3 230.308 0.444 20 0 BCADHN CCSCC[C@@H](C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000602457145 349554987 /nfs/dbraw/zinc/55/49/87/349554987.db2.gz FWGQKCPJZFNTFL-KXUCPTDWSA-N 0 3 246.376 0.751 20 0 BCADHN O=C(CNC1CC1)Nc1ccc[nH]c1=O ZINC000381569768 398263540 /nfs/dbraw/zinc/26/35/40/398263540.db2.gz WQCUTAFQQFRCSG-UHFFFAOYSA-N 0 3 207.233 0.478 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C(=O)OC)C1CC1 ZINC000602460295 349555571 /nfs/dbraw/zinc/55/55/71/349555571.db2.gz YHMARDURFDCOFS-IONNQARKSA-N 0 3 228.292 0.052 20 0 BCADHN COC(=O)c1cncnc1SCCN(C)C ZINC000300954637 323006673 /nfs/dbraw/zinc/00/66/73/323006673.db2.gz UPKQUNDFSBAVQF-UHFFFAOYSA-N 0 3 241.316 0.917 20 0 BCADHN C/C=C\CNC(=O)C[C@H]1CSCCN1 ZINC000384992394 398260288 /nfs/dbraw/zinc/26/02/88/398260288.db2.gz KWRXAQCWKMVHKI-XADBCAIWSA-N 0 3 214.334 0.774 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1Cc1ccc(N)nc1 ZINC000384864575 398260316 /nfs/dbraw/zinc/26/03/16/398260316.db2.gz NSXCPNSNPJHSHT-PSASIEDQSA-N 0 3 207.277 0.449 20 0 BCADHN C[C@@H]1C[C@@H](NCC(C)(C)S(C)(=O)=O)[C@H](C)O1 ZINC000384885076 398260542 /nfs/dbraw/zinc/26/05/42/398260542.db2.gz KORLWIKKXVNZCC-KXUCPTDWSA-N 0 3 249.376 0.965 20 0 BCADHN CCN[C@H](C)C(=O)N1CCC[C@@]1(C)C(=O)OC ZINC000602502298 349561499 /nfs/dbraw/zinc/56/14/99/349561499.db2.gz GPQXKAHFSLGWDF-SKDRFNHKSA-N 0 3 242.319 0.539 20 0 BCADHN CC1(C)CC(CN2C[C@H](O)C[C@H]2C(N)=O)C1 ZINC000625566761 343998787 /nfs/dbraw/zinc/99/87/87/343998787.db2.gz FQDJKHQJAKVAMO-ZJUUUORDSA-N 0 3 226.320 0.343 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@H]1NCC1(C)C ZINC000381586200 398265397 /nfs/dbraw/zinc/26/53/97/398265397.db2.gz HQLJOMPWVMHXHW-DTWKUNHWSA-N 0 3 214.309 0.383 20 0 BCADHN C[C@@H]1NCCN(C(=O)N[C@H]2CCSC2)[C@H]1C ZINC000417771158 398265557 /nfs/dbraw/zinc/26/55/57/398265557.db2.gz HFVPBFUESCANFK-GUBZILKMSA-N 0 3 243.376 0.884 20 0 BCADHN COCCNCCNC(=O)N1CCC[C@@H]1C ZINC000418483887 192040593 /nfs/dbraw/zinc/04/05/93/192040593.db2.gz CMBYDJVTYPPAPA-JTQLQIEISA-N 0 3 229.324 0.416 20 0 BCADHN Cc1ccc(C(=O)N(C)CCN(C)C)n1C ZINC000267162994 178377644 /nfs/dbraw/zinc/37/76/44/178377644.db2.gz ZDBQLDRXCCUJMP-UHFFFAOYSA-N 0 3 223.320 0.967 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2NCC2(C)C)CCO1 ZINC000381603648 398266192 /nfs/dbraw/zinc/26/61/92/398266192.db2.gz OYUFVHWNZYPDQR-RKDXNWHRSA-N 0 3 212.293 0.232 20 0 BCADHN CNS(=O)(=O)CCN[C@@H]1CS[C@@H](C)C1 ZINC000230981125 488177796 /nfs/dbraw/zinc/17/77/96/488177796.db2.gz LNSIRWMLIURJMP-YUMQZZPRSA-N 0 3 238.378 0.019 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@@H](C)SC ZINC000602485634 349567826 /nfs/dbraw/zinc/56/78/26/349567826.db2.gz OMXXTTZHWDHLKN-SFYZADRCSA-N 0 3 204.339 0.852 20 0 BCADHN Cc1ccc(C(=O)N2CCCNCC2)cn1 ZINC000022210639 178387821 /nfs/dbraw/zinc/38/78/21/178387821.db2.gz OEVKSTAVJAORLJ-UHFFFAOYSA-N 0 3 219.288 0.826 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)C[C@@H](C)C(=O)OC ZINC000602499290 349559542 /nfs/dbraw/zinc/55/95/42/349559542.db2.gz IQJAXIRZVCAISG-BDAKNGLRSA-N 0 3 230.308 0.252 20 0 BCADHN COCCNCC(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000388844773 398264897 /nfs/dbraw/zinc/26/48/97/398264897.db2.gz FBFQBUFVIBAMTG-MNOVXSKESA-N 0 3 244.335 0.154 20 0 BCADHN Cc1ccc(C(=O)C(=O)N[C@@H](C)CN)cc1 ZINC000277131560 178371587 /nfs/dbraw/zinc/37/15/87/178371587.db2.gz YUCQYFSIHTXSLM-VIFPVBQESA-N 0 3 220.272 0.641 20 0 BCADHN CC[C@@H](CO)NCc1cc(C(=O)OC)c(C)[nH]1 ZINC000602503763 349581257 /nfs/dbraw/zinc/58/12/57/349581257.db2.gz QPQUTDGBIMJNJJ-VIFPVBQESA-N 0 3 240.303 0.970 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)OC ZINC000602504363 349581342 /nfs/dbraw/zinc/58/13/42/349581342.db2.gz PUAQCPFPKBOBNZ-YUMQZZPRSA-N 0 3 216.281 0.004 20 0 BCADHN C[C@H](CN[C@@H](C)[C@@]1(C)CCCO1)S(C)(=O)=O ZINC000378776796 346829926 /nfs/dbraw/zinc/82/99/26/346829926.db2.gz FNHUMZSOIWFFHR-OUAUKWLOSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H](CN[C@@H](C)[C@]1(C)CCCO1)S(C)(=O)=O ZINC000378776794 346829969 /nfs/dbraw/zinc/82/99/69/346829969.db2.gz FNHUMZSOIWFFHR-DCAQKATOSA-N 0 3 249.376 0.967 20 0 BCADHN CC(C)OCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000335111212 136233142 /nfs/dbraw/zinc/23/31/42/136233142.db2.gz MPPFHTQJYKVEKJ-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CS[C@@H]1CN(C(=O)CN(C)C)C[C@@H]1N(C)C ZINC000344738177 398270761 /nfs/dbraw/zinc/27/07/61/398270761.db2.gz LTWOOQMFHXLLIF-VHSXEESVSA-N 0 3 245.392 0.052 20 0 BCADHN C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)C(N)=O ZINC000378809038 346838335 /nfs/dbraw/zinc/83/83/35/346838335.db2.gz YWEHGTZQKYFQAI-FSDSQADBSA-N 0 3 222.235 0.610 20 0 BCADHN CCN[C@H](C)C(=O)NC1(CC(=O)OC)CC1 ZINC000602519567 349573765 /nfs/dbraw/zinc/57/37/65/349573765.db2.gz ZYYCRWQRBXMLKA-MRVPVSSYSA-N 0 3 228.292 0.196 20 0 BCADHN CCC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000171827496 346840613 /nfs/dbraw/zinc/84/06/13/346840613.db2.gz PHFWYDHAHHTDHY-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CC[C@H](OC)C(=O)NCCN1CCCC1 ZINC000344810658 398271700 /nfs/dbraw/zinc/27/17/00/398271700.db2.gz GZBWINBRTBQVAN-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H]1CCC[C@@H]1C(=O)OC ZINC000602534635 349602112 /nfs/dbraw/zinc/60/21/12/349602112.db2.gz KTDKOEVMFFDGHO-LPEHRKFASA-N 0 3 242.319 0.442 20 0 BCADHN CCOc1nc(NC2CNC2)ncc1Cl ZINC000649473697 398272189 /nfs/dbraw/zinc/27/21/89/398272189.db2.gz HMGCEYMXHFBLPY-UHFFFAOYSA-N 0 3 228.683 0.912 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](N)C(C)C)C[C@@H](C)O1 ZINC000490008750 529376768 /nfs/dbraw/zinc/37/67/68/529376768.db2.gz QQRISZDLVBHZCS-GMTAPVOTSA-N 0 3 228.336 0.996 20 0 BCADHN CCN(CC)CC(=O)NC1CCC(CO)CC1 ZINC000181080236 538959867 /nfs/dbraw/zinc/95/98/67/538959867.db2.gz LBZQZZAAFDRERW-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](NCc1ccc(O)cc1)C(=O)N(C)C ZINC000036793985 538961124 /nfs/dbraw/zinc/96/11/24/538961124.db2.gz LQJSVJZPMQXQEJ-SECBINFHSA-N 0 3 222.288 0.959 20 0 BCADHN COC(=O)c1cc(CN[C@@H]2CCOC2)[nH]c1C ZINC000602584272 349612022 /nfs/dbraw/zinc/61/20/22/349612022.db2.gz YULIVNFFIVRSEI-SECBINFHSA-N 0 3 238.287 0.988 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NCC(C)(C)F ZINC000602580927 349608635 /nfs/dbraw/zinc/60/86/35/349608635.db2.gz QFISMSNTZDHTQR-ZETCQYMHSA-N 0 3 234.271 0.131 20 0 BCADHN CNS(=O)(=O)CCN[C@H]1CS[C@H](C)C1 ZINC000230981133 488178723 /nfs/dbraw/zinc/17/87/23/488178723.db2.gz LNSIRWMLIURJMP-HTQZYQBOSA-N 0 3 238.378 0.019 20 0 BCADHN CC[C@H](CO)NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000180902480 538959035 /nfs/dbraw/zinc/95/90/35/538959035.db2.gz ZIISNFMSCGCVJS-WDEREUQCSA-N 0 3 243.351 0.398 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H](O)C2CCC2)C1 ZINC000650511808 398277873 /nfs/dbraw/zinc/27/78/73/398277873.db2.gz RFVHMXITKYHEHB-SRVKXCTJSA-N 0 3 238.331 0.310 20 0 BCADHN CCCN(CCC)CCS(=O)(=O)N(C)C ZINC000200608712 342692811 /nfs/dbraw/zinc/69/28/11/342692811.db2.gz GXPAFHJQVSVDLV-UHFFFAOYSA-N 0 3 236.381 1.000 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CCC[C@H]1C(=O)OC ZINC000236946226 349612492 /nfs/dbraw/zinc/61/24/92/349612492.db2.gz GGGDJFBCIRJJES-VGMNWLOBSA-N 0 3 228.292 0.182 20 0 BCADHN C[C@@H](CSCCF)NCc1cn[nH]n1 ZINC000600176328 342696520 /nfs/dbraw/zinc/69/65/20/342696520.db2.gz HDAMYCZCYFSNES-ZETCQYMHSA-N 0 3 218.301 0.986 20 0 BCADHN C[C@@H](CSCCF)NCc1c[nH]nn1 ZINC000600176328 342696522 /nfs/dbraw/zinc/69/65/22/342696522.db2.gz HDAMYCZCYFSNES-ZETCQYMHSA-N 0 3 218.301 0.986 20 0 BCADHN C[C@H](N)C(=O)NCc1ccc2c(c1)CCO2 ZINC000083350426 398278480 /nfs/dbraw/zinc/27/84/80/398278480.db2.gz CKCPFWTUPLNTDN-QMMMGPOBSA-N 0 3 220.272 0.585 20 0 BCADHN CCO[C@@H]1C[C@H](NCc2c[nH]nn2)[C@H]1SC ZINC000600177857 342696973 /nfs/dbraw/zinc/69/69/73/342696973.db2.gz UMTCZADHRXICFM-IVZWLZJFSA-N 0 3 242.348 0.803 20 0 BCADHN CCOC(=O)C(CC)(CC)CNC(=O)CN ZINC000602590610 349614448 /nfs/dbraw/zinc/61/44/48/349614448.db2.gz UJCAAWRWUPFYGS-UHFFFAOYSA-N 0 3 230.308 0.431 20 0 BCADHN c1n[nH]cc1CNCCOC[C@H]1CCOC1 ZINC000309588920 342716714 /nfs/dbraw/zinc/71/67/14/342716714.db2.gz XXDMUUSNPYZJGC-JTQLQIEISA-N 0 3 225.292 0.552 20 0 BCADHN COC(=O)[C@H]1CCCN(CCc2cnccn2)C1 ZINC000402600748 342743579 /nfs/dbraw/zinc/74/35/79/342743579.db2.gz KLWDRHRVTACWMA-NSHDSACASA-N 0 3 249.314 0.904 20 0 BCADHN CCC(CC)NC(=O)[C@H](C)NCCNC(C)=O ZINC000035206960 168382823 /nfs/dbraw/zinc/38/28/23/168382823.db2.gz RMMSDOCOBHWOBJ-VIFPVBQESA-N 0 3 243.351 0.405 20 0 BCADHN CCC(CC)NC(=O)[C@@]1(F)CCNC1 ZINC000308930521 168382856 /nfs/dbraw/zinc/38/28/56/168382856.db2.gz LYBFFHOYTPQTTH-SNVBAGLBSA-N 0 3 202.273 0.993 20 0 BCADHN CNCc1noc(C2(CN)CCCC2)n1 ZINC000583934153 342728419 /nfs/dbraw/zinc/72/84/19/342728419.db2.gz PPKISOWTPNQNNR-UHFFFAOYSA-N 0 3 210.281 0.560 20 0 BCADHN CSCC[C@H](O)C(=O)NC[C@H]1CCCN1C ZINC000600271903 342728798 /nfs/dbraw/zinc/72/87/98/342728798.db2.gz BICRMJNVVLBPTM-ZJUUUORDSA-N 0 3 246.376 0.311 20 0 BCADHN CN(C)CC[C@](C)(O)CNC(=O)C12CC(C1)C2 ZINC000629985835 361870803 /nfs/dbraw/zinc/87/08/03/361870803.db2.gz USMVDEJPCSNZHP-YDGIUTOCSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000035222940 342734789 /nfs/dbraw/zinc/73/47/89/342734789.db2.gz CYYISHHAQAKICG-DGCLKSJQSA-N 0 3 247.342 0.724 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC[C@H](O)COC(C)C ZINC000231852687 342740264 /nfs/dbraw/zinc/74/02/64/342740264.db2.gz ZQDSUXUCQPMYFF-QWRGUYRKSA-N 0 3 246.351 0.229 20 0 BCADHN CC[C@H](O)CN[C@H](C)C(=O)N(C)CC ZINC000231852030 342740285 /nfs/dbraw/zinc/74/02/85/342740285.db2.gz RGMZMPNEHPJZPR-BDAKNGLRSA-N 0 3 202.298 0.214 20 0 BCADHN C[C@H](CO)N(C)C(=O)CN(C)C1CCC1 ZINC000629991271 361875862 /nfs/dbraw/zinc/87/58/62/361875862.db2.gz TXTJMLKQBUMWGI-SECBINFHSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C2(O)CCC2)CN1C1CC1 ZINC000184857111 538969489 /nfs/dbraw/zinc/96/94/89/538969489.db2.gz UZMAAJJFZDKIJZ-VHSXEESVSA-N 0 3 238.331 0.643 20 0 BCADHN Cn1cc(CNC[C@H]2CCCOC2)nn1 ZINC000054860769 398284186 /nfs/dbraw/zinc/28/41/86/398284186.db2.gz JKEKXRLQOTXGOE-SECBINFHSA-N 0 3 210.281 0.331 20 0 BCADHN CN(CC(=O)N1C[C@H]2[C@H](CO)[C@H]2C1)C1CCC1 ZINC000630008678 361892958 /nfs/dbraw/zinc/89/29/58/361892958.db2.gz PPRWJHIAQYTGGV-GDNZZTSVSA-N 0 3 238.331 0.167 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H]1C[C@@H]1C ZINC000183927669 538968271 /nfs/dbraw/zinc/96/82/71/538968271.db2.gz AJCBJBOVBYKQLZ-VHSXEESVSA-N 0 3 214.309 0.073 20 0 BCADHN COCCNCC(=O)NC1(C2CC2)CC1 ZINC000309644429 342775207 /nfs/dbraw/zinc/77/52/07/342775207.db2.gz PTYUVGDNLIQLBR-UHFFFAOYSA-N 0 3 212.293 0.281 20 0 BCADHN CN(CC(=O)N1CCO[C@@H]2C[C@@H]21)C1CCC1 ZINC000630008685 361893118 /nfs/dbraw/zinc/89/31/18/361893118.db2.gz PUWOCMSEDUZMMW-WDEREUQCSA-N 0 3 224.304 0.470 20 0 BCADHN COC[C@@H](OC)C(=O)N(C)C[C@H]1CCCN1C ZINC000616386330 342751199 /nfs/dbraw/zinc/75/11/99/342751199.db2.gz RCNDNJPZGSYTQB-GHMZBOCLSA-N 0 3 244.335 0.200 20 0 BCADHN CN(C[C@@H](O)C[C@@](C)(O)C1CC1)C1CC(O)C1 ZINC000630043547 361910572 /nfs/dbraw/zinc/91/05/72/361910572.db2.gz KXRVWGWROOMGHF-IFWUJCSASA-N 0 3 243.347 0.354 20 0 BCADHN CN(C[C@H](O)C[C@](C)(O)C1CC1)C1CC(O)C1 ZINC000630043548 361910613 /nfs/dbraw/zinc/91/06/13/361910613.db2.gz KXRVWGWROOMGHF-TUUUFIMRSA-N 0 3 243.347 0.354 20 0 BCADHN N[C@@H](CNC(=O)N1CCNCC1)c1ccccc1 ZINC000418451180 192043187 /nfs/dbraw/zinc/04/31/87/192043187.db2.gz MQUDVDXGLTVLHX-LBPRGKRZSA-N 0 3 248.330 0.301 20 0 BCADHN CN(C[C@@H](O)C[C@@](C)(O)C1CC1)C1(CO)CC1 ZINC000630045076 361911112 /nfs/dbraw/zinc/91/11/12/361911112.db2.gz FPGOHEQBBIEZJK-NWDGAFQWSA-N 0 3 243.347 0.355 20 0 BCADHN CN(C[C@H]1CCCO1)C[C@@H]1CCC(=O)N1 ZINC000649490053 398287107 /nfs/dbraw/zinc/28/71/07/398287107.db2.gz QWTNPPNQTOISEL-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CN1C[C@H]2CCN(C(=O)CCc3cn[nH]c3)[C@@H]2C1 ZINC000630006798 361896998 /nfs/dbraw/zinc/89/69/98/361896998.db2.gz FRSCHLYPGSTJME-VXGBXAGGSA-N 0 3 248.330 0.505 20 0 BCADHN CC[C@@H]1CCN1C[C@H](O)CC1(O)CCOCC1 ZINC000630046992 361912310 /nfs/dbraw/zinc/91/23/10/361912310.db2.gz PCDKCZQCCIQQDP-VXGBXAGGSA-N 0 3 243.347 0.763 20 0 BCADHN CN(CC(=O)N1CC[C@@]2(O)C[C@H]2C1)C1CCC1 ZINC000630016758 361898220 /nfs/dbraw/zinc/89/82/20/361898220.db2.gz KBNIBNLOTLIHIS-GXFFZTMASA-N 0 3 238.331 0.454 20 0 BCADHN CC[C@H]1CCN1C[C@H](O)CC1(O)CCOCC1 ZINC000630046990 361911932 /nfs/dbraw/zinc/91/19/32/361911932.db2.gz PCDKCZQCCIQQDP-NWDGAFQWSA-N 0 3 243.347 0.763 20 0 BCADHN CO[C@@H]1CN(Cc2ccon2)C[C@H]1c1cn[nH]n1 ZINC000621317051 342787198 /nfs/dbraw/zinc/78/71/98/342787198.db2.gz MCCHBZZEGFJVIT-GXSJLCMTSA-N 0 3 249.274 0.407 20 0 BCADHN C[C@H](O)[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC000630016159 361903094 /nfs/dbraw/zinc/90/30/94/361903094.db2.gz DXVUHSOXQZGBAZ-CMPLNLGQSA-N 0 3 240.347 0.843 20 0 BCADHN COCCNCCNC(=O)N(C)[C@H](C)C(C)C ZINC000418506297 192044975 /nfs/dbraw/zinc/04/49/75/192044975.db2.gz HYTXROJAHRTCKQ-LLVKDONJSA-N 0 3 245.367 0.908 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CC[C@@H](C)[C@H]1CO ZINC000299968884 342794663 /nfs/dbraw/zinc/79/46/63/342794663.db2.gz MUJDHRDLRCBMPR-OUAUKWLOSA-N 0 3 245.319 0.003 20 0 BCADHN C[C@](O)(C[C@H](O)CN(CCO)C1CC1)C1CC1 ZINC000630035277 361907610 /nfs/dbraw/zinc/90/76/10/361907610.db2.gz HJXBSKDBRGZAEF-STQMWFEESA-N 0 3 243.347 0.355 20 0 BCADHN C[C@](O)(C[C@H](O)CN1CCC(O)CC1)C1CC1 ZINC000630036499 361907683 /nfs/dbraw/zinc/90/76/83/361907683.db2.gz NOBZSRYPAXCNCY-STQMWFEESA-N 0 3 243.347 0.355 20 0 BCADHN C[C@@](O)(C[C@H](O)CN1CCC(O)CC1)C1CC1 ZINC000630036498 361908048 /nfs/dbraw/zinc/90/80/48/361908048.db2.gz NOBZSRYPAXCNCY-QWHCGFSZSA-N 0 3 243.347 0.355 20 0 BCADHN CC1(C)CCN(CCNS(C)(=O)=O)CC1 ZINC000336283630 342798366 /nfs/dbraw/zinc/79/83/66/342798366.db2.gz PSYNEQBOLWGRKD-UHFFFAOYSA-N 0 3 234.365 0.658 20 0 BCADHN C[C@@](O)(C[C@H](O)CN1CC[C@](C)(O)C1)C1CC1 ZINC000630040808 361909136 /nfs/dbraw/zinc/90/91/36/361909136.db2.gz JNFCHWGKKUWWIX-RWMBFGLXSA-N 0 3 243.347 0.355 20 0 BCADHN C[C@](O)(C[C@H](O)CN1CC[C@@H](CO)C1)C1CC1 ZINC000630037216 361909875 /nfs/dbraw/zinc/90/98/75/361909875.db2.gz IWUJFKWWGQQABP-WXHSDQCUSA-N 0 3 243.347 0.213 20 0 BCADHN CCC[C@@H](O)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000162255873 349623455 /nfs/dbraw/zinc/62/34/55/349623455.db2.gz KPNYXAUMOBGRDN-NXEZZACHSA-N 0 3 235.349 0.314 20 0 BCADHN CC(C)[C@H](NCCO)[C@H](O)C(F)(F)F ZINC000379576641 538978752 /nfs/dbraw/zinc/97/87/52/538978752.db2.gz OOBFFMADDFUJBT-BQBZGAKWSA-N 0 3 215.215 0.516 20 0 BCADHN CCN1CCCN(C(=O)[C@@H]2CO[C@H](C)C2)CC1 ZINC000336608603 342812544 /nfs/dbraw/zinc/81/25/44/342812544.db2.gz RSHQBKMPXHUSIX-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN COCCNCCNC(=O)N1CCC=C(F)C1 ZINC000418509896 192045694 /nfs/dbraw/zinc/04/56/94/192045694.db2.gz OXVCAWZMJMXVOF-UHFFFAOYSA-N 0 3 245.298 0.491 20 0 BCADHN COC(=O)C[C@@H](O)CSCCN(C)C ZINC000157691435 342819642 /nfs/dbraw/zinc/81/96/42/342819642.db2.gz SOEHBLNEBZZWPM-MRVPVSSYSA-N 0 3 221.322 0.205 20 0 BCADHN CCOC(=O)c1ccc(CNC[C@H](C)O)[nH]1 ZINC000602576155 349624849 /nfs/dbraw/zinc/62/48/49/349624849.db2.gz NMRDASIQJVXBSL-QMMMGPOBSA-N 0 3 226.276 0.662 20 0 BCADHN C[C@@H]1CC(F)(F)CCN1c1nc(N)nc(N)n1 ZINC000624637464 342806001 /nfs/dbraw/zinc/80/60/01/342806001.db2.gz GFSCTJILEXRZAE-RXMQYKEDSA-N 0 3 244.249 0.321 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@@H](C)COC ZINC000187253431 538976087 /nfs/dbraw/zinc/97/60/87/538976087.db2.gz FYOMSGXRININJL-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN COCCN(C)CCCNC(=O)C1CC1 ZINC000041950907 342806806 /nfs/dbraw/zinc/80/68/06/342806806.db2.gz AVSCIQCBUHNUNX-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN Cc1cnc(C(=O)N2C[C@H](C)NC[C@@H]2C)cn1 ZINC000086468113 398292430 /nfs/dbraw/zinc/29/24/30/398292430.db2.gz BCIDYJDBWCINOS-UWVGGRQHSA-N 0 3 234.303 0.607 20 0 BCADHN O[C@H]1CCN(CCNc2ccccn2)C1 ZINC000624774980 342827796 /nfs/dbraw/zinc/82/77/96/342827796.db2.gz PGLHAIKJQGEBMZ-JTQLQIEISA-N 0 3 207.277 0.560 20 0 BCADHN COC[C@@](C)(CO)NCC1=CCCOC1 ZINC000380336949 538989011 /nfs/dbraw/zinc/98/90/11/538989011.db2.gz QGZAFJRMJBDCDR-LLVKDONJSA-N 0 3 215.293 0.320 20 0 BCADHN OC[C@H](CNC1CSC1)c1cccnc1 ZINC000380349642 538989237 /nfs/dbraw/zinc/98/92/37/538989237.db2.gz UYVYRZJCQOGJHK-JTQLQIEISA-N 0 3 224.329 0.863 20 0 BCADHN CCc1cc(NC(=O)[C@@H](N)CCSC)n[nH]1 ZINC000157226446 344004235 /nfs/dbraw/zinc/00/42/35/344004235.db2.gz WYKHWHYGHOGNMU-QMMMGPOBSA-N 0 3 242.348 0.991 20 0 BCADHN CN1CCC[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 ZINC000226564228 342830449 /nfs/dbraw/zinc/83/04/49/342830449.db2.gz UKFFGDGPVPYYRR-NSHDSACASA-N 0 3 249.314 0.209 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCC[C@@H]1O ZINC000634413156 361935228 /nfs/dbraw/zinc/93/52/28/361935228.db2.gz YIJCZZGNYSYBCW-BJDJZHNGSA-N 0 3 240.347 0.889 20 0 BCADHN CN(CCCNCC1(F)CC1)S(C)(=O)=O ZINC000379965976 538982733 /nfs/dbraw/zinc/98/27/33/538982733.db2.gz YVAYEUNBGIISDN-UHFFFAOYSA-N 0 3 238.328 0.360 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc[nH]c2=O)[C@@H](C)CN1 ZINC000086467495 398291943 /nfs/dbraw/zinc/29/19/43/398291943.db2.gz PFKGYDBBBRIQJC-BDAKNGLRSA-N 0 3 235.287 0.610 20 0 BCADHN Cc1c(C(=O)N2C[C@@H](C)NC[C@H]2C)cnn1C ZINC000086467701 398292041 /nfs/dbraw/zinc/29/20/41/398292041.db2.gz ZXKPCJDATHRLFA-RKDXNWHRSA-N 0 3 236.319 0.551 20 0 BCADHN Cn1cnc(CN[C@H]2CCCN(C)C2)c1 ZINC000380065935 538984083 /nfs/dbraw/zinc/98/40/83/538984083.db2.gz HYALVNQYYNNGJY-JTQLQIEISA-N 0 3 208.309 0.604 20 0 BCADHN Cn1cc(CNC[C@H]2CCCC(=O)N2)cn1 ZINC000381499304 539002022 /nfs/dbraw/zinc/00/20/22/539002022.db2.gz CUNSPQQSCLCERV-SNVBAGLBSA-N 0 3 222.292 0.178 20 0 BCADHN Cn1cc(CNC[C@@H]2CCCC(=O)N2)cn1 ZINC000381499302 539002371 /nfs/dbraw/zinc/00/23/71/539002371.db2.gz CUNSPQQSCLCERV-JTQLQIEISA-N 0 3 222.292 0.178 20 0 BCADHN C[C@@H](NCc1cn[nH]c1)[C@@H]1CN(C)CCO1 ZINC000381509297 539002919 /nfs/dbraw/zinc/00/29/19/539002919.db2.gz QOFKDAHUPLYTFP-KOLCDFICSA-N 0 3 224.308 0.218 20 0 BCADHN Cn1cc(CN[C@H]2CC[C@@H](CO)CC2)nn1 ZINC000381583141 539003917 /nfs/dbraw/zinc/00/39/17/539003917.db2.gz GGEXLJLAKFKKTO-AOOOYVTPSA-N 0 3 224.308 0.456 20 0 BCADHN C[C@@H](NCCc1nnnn1C)c1ccoc1 ZINC000381656242 539005934 /nfs/dbraw/zinc/00/59/34/539005934.db2.gz FHPMCFCOFMTQCA-MRVPVSSYSA-N 0 3 221.264 0.696 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000402105322 349627362 /nfs/dbraw/zinc/62/73/62/349627362.db2.gz VHCNEDUVOXTUAF-YWVKMMECSA-N 0 3 214.309 0.798 20 0 BCADHN C[C@@H](NCCCn1cncn1)c1ccnn1C ZINC000381767408 539007178 /nfs/dbraw/zinc/00/71/78/539007178.db2.gz IRDINKWXSYWCPK-SNVBAGLBSA-N 0 3 234.307 0.753 20 0 BCADHN CCc1nn(C)cc1CNC[C@](C)(O)COC ZINC000382569652 539009886 /nfs/dbraw/zinc/00/98/86/539009886.db2.gz QFTYLHZNXAYMJB-LBPRGKRZSA-N 0 3 241.335 0.470 20 0 BCADHN c1cn2c(n1)C[C@H](NCc1cn[nH]c1)CC2 ZINC000381444904 539000632 /nfs/dbraw/zinc/00/06/32/539000632.db2.gz FOAVJBKMIHGAIH-SNVBAGLBSA-N 0 3 217.276 0.711 20 0 BCADHN c1n[nH]cc1CNCCCO[C@@H]1CCOC1 ZINC000390134459 539020084 /nfs/dbraw/zinc/02/00/84/539020084.db2.gz LIQUCEAKPFOWGQ-LLVKDONJSA-N 0 3 225.292 0.695 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H](CO)CC1CC1 ZINC000390513254 539026157 /nfs/dbraw/zinc/02/61/57/539026157.db2.gz CGUTXDYKMSKCBC-ONGXEEELSA-N 0 3 249.376 0.560 20 0 BCADHN Cc1ccnc(C(=O)NC[C@H](C)N(C)C2CC2)n1 ZINC000349565536 398297425 /nfs/dbraw/zinc/29/74/25/398297425.db2.gz PDPNGUGFZFJMNB-JTQLQIEISA-N 0 3 248.330 0.998 20 0 BCADHN CCC1(CC)[C@H](NCC(N)=O)C[C@H]1OC ZINC000191364194 398297900 /nfs/dbraw/zinc/29/79/00/398297900.db2.gz XTHVRVUBOQDCNU-RKDXNWHRSA-N 0 3 214.309 0.655 20 0 BCADHN CCC1(CC)[C@H](OC)C[C@@H]1NCC(N)=O ZINC000191364208 398298112 /nfs/dbraw/zinc/29/81/12/398298112.db2.gz XTHVRVUBOQDCNU-DTWKUNHWSA-N 0 3 214.309 0.655 20 0 BCADHN CS(=O)(=O)CC1(CNC2CSC2)CC1 ZINC000388908228 539015520 /nfs/dbraw/zinc/01/55/20/539015520.db2.gz ZESNXXYPBCCLTG-UHFFFAOYSA-N 0 3 235.374 0.516 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000389217517 539015727 /nfs/dbraw/zinc/01/57/27/539015727.db2.gz LEWJIGHDVZZKPC-RKDXNWHRSA-N 0 3 200.282 0.280 20 0 BCADHN COC[C@@H](NC1CSC1)[C@H]1CCCO1 ZINC000389337843 539016369 /nfs/dbraw/zinc/01/63/69/539016369.db2.gz XFEFSCCMGGBVFF-NXEZZACHSA-N 0 3 217.334 0.885 20 0 BCADHN CC1(CNC[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000389682983 539017560 /nfs/dbraw/zinc/01/75/60/539017560.db2.gz FSNHDXSDMSXVDA-VIFPVBQESA-N 0 3 233.333 0.190 20 0 BCADHN COCC[C@H](COC)NCc1cn[nH]c1 ZINC000389901566 539018477 /nfs/dbraw/zinc/01/84/77/539018477.db2.gz COKZLUIHWRBQHX-SNVBAGLBSA-N 0 3 213.281 0.551 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)C(C)(C)O ZINC000389938806 539018742 /nfs/dbraw/zinc/01/87/42/539018742.db2.gz NZOQUQBJKRADPK-RKDXNWHRSA-N 0 3 237.365 0.559 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H](C)C(C)(C)O ZINC000389938801 539018823 /nfs/dbraw/zinc/01/88/23/539018823.db2.gz NZOQUQBJKRADPK-DTWKUNHWSA-N 0 3 237.365 0.559 20 0 BCADHN C[C@H](NC[C@H]1CCCN1C)c1ncn(C)n1 ZINC000391960656 398299345 /nfs/dbraw/zinc/29/93/45/398299345.db2.gz MDESYISZMISTRA-VHSXEESVSA-N 0 3 223.324 0.560 20 0 BCADHN COc1ccc(CCNC(=O)[C@H](C)N)cc1 ZINC000011957511 342845207 /nfs/dbraw/zinc/84/52/07/342845207.db2.gz CTQUCHXIYMFHNP-VIFPVBQESA-N 0 3 222.288 0.701 20 0 BCADHN Cc1nc(C(=O)N2CCN[C@@H](C)[C@@H]2C)c[nH]1 ZINC000335644648 136243496 /nfs/dbraw/zinc/24/34/96/136243496.db2.gz VTOIJLBREQCKAF-YUMQZZPRSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1ncc(C(=O)N2CCN[C@@H](C)[C@@H]2C)[nH]1 ZINC000335644648 136243497 /nfs/dbraw/zinc/24/34/97/136243497.db2.gz VTOIJLBREQCKAF-YUMQZZPRSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1nc(C(=O)N2CCN[C@@H](C)[C@H]2C)c[nH]1 ZINC000335644646 136243565 /nfs/dbraw/zinc/24/35/65/136243565.db2.gz VTOIJLBREQCKAF-JGVFFNPUSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1ncc(C(=O)N2CCN[C@@H](C)[C@H]2C)[nH]1 ZINC000335644646 136243566 /nfs/dbraw/zinc/24/35/66/136243566.db2.gz VTOIJLBREQCKAF-JGVFFNPUSA-N 0 3 222.292 0.541 20 0 BCADHN C[C@@H](CO)CN1CCN(C[C@H](C)CO)[C@H](C)C1 ZINC000678047091 488184536 /nfs/dbraw/zinc/18/45/36/488184536.db2.gz YYSVNRDEOBXIAG-FRRDWIJNSA-N 0 3 244.379 0.249 20 0 BCADHN C[C@@H]1OCC[C@]1(C)N[C@@H]1CCCN(C)C1=O ZINC000309745029 342846406 /nfs/dbraw/zinc/84/64/06/342846406.db2.gz FHYVJSFUEVFZMB-UMNHJUIQSA-N 0 3 226.320 0.764 20 0 BCADHN OC[C@@H]1CCCN(CCOC2CCOCC2)C1 ZINC000625063383 342847564 /nfs/dbraw/zinc/84/75/64/342847564.db2.gz MXZGJFGNEPTZCZ-GFCCVEGCSA-N 0 3 243.347 0.886 20 0 BCADHN COc1cncc(CN2CCCN(C)CC2)n1 ZINC000625063314 342847663 /nfs/dbraw/zinc/84/76/63/342847663.db2.gz JDCIRZWLOWQUCI-UHFFFAOYSA-N 0 3 236.319 0.623 20 0 BCADHN OCC1CCN(CCOC2CCOCC2)CC1 ZINC000625080374 342849906 /nfs/dbraw/zinc/84/99/06/342849906.db2.gz NYOOYXOIBQHOLQ-UHFFFAOYSA-N 0 3 243.347 0.886 20 0 BCADHN CN(CCc1cn(C)nn1)C[C@@H]1CCCO1 ZINC000625089426 342850746 /nfs/dbraw/zinc/85/07/46/342850746.db2.gz JDWWZLPFHPPGQA-NSHDSACASA-N 0 3 224.308 0.468 20 0 BCADHN Cn1cc(CCN2CCN(CC3CC3)CC2)nn1 ZINC000625089160 342850782 /nfs/dbraw/zinc/85/07/82/342850782.db2.gz OFCHOJDSFPQARV-UHFFFAOYSA-N 0 3 249.362 0.385 20 0 BCADHN COCCN(C)CCOC1CCOCC1 ZINC000625109632 342861639 /nfs/dbraw/zinc/86/16/39/342861639.db2.gz WQDBMHBBUYJBRE-UHFFFAOYSA-N 0 3 217.309 0.760 20 0 BCADHN CSCCCN(C)[C@H]1CCN(C)C1=O ZINC000075752561 342862307 /nfs/dbraw/zinc/86/23/07/342862307.db2.gz SGENAZNZBKTQDG-VIFPVBQESA-N 0 3 216.350 0.902 20 0 BCADHN C[C@@H](CF)NC[C@@H]1CNc2ccnn2C1 ZINC000648036688 398303722 /nfs/dbraw/zinc/30/37/22/398303722.db2.gz SNIAVJFUVHMRPB-DTWKUNHWSA-N 0 3 212.272 0.872 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCN2)CO1 ZINC000402105629 349631754 /nfs/dbraw/zinc/63/17/54/349631754.db2.gz VYBGRZUMNZDNLB-OPRDCNLKSA-N 0 3 212.293 0.422 20 0 BCADHN CCN1CCC(NC(=O)c2cccc(=O)[nH]2)CC1 ZINC000233468503 342864839 /nfs/dbraw/zinc/86/48/39/342864839.db2.gz JQLAGKABBNLJQN-UHFFFAOYSA-N 0 3 249.314 0.589 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)CN1CCNCC1 ZINC000037173984 398304688 /nfs/dbraw/zinc/30/46/88/398304688.db2.gz UHLCDXFQUSHDNT-LLVKDONJSA-N 0 3 227.352 0.396 20 0 BCADHN COC(=O)[C@@H](C)CN(C)Cc1cnc[nH]1 ZINC000091985958 398304768 /nfs/dbraw/zinc/30/47/68/398304768.db2.gz CNEHPNZELPWBQZ-QMMMGPOBSA-N 0 3 211.265 0.651 20 0 BCADHN COc1ncncc1CN1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000648040140 398306331 /nfs/dbraw/zinc/30/63/31/398306331.db2.gz DHMDERNLFUYNBV-CMPLNLGQSA-N 0 3 248.330 0.621 20 0 BCADHN CCN1CCC(NC(=S)NC)CC1 ZINC000013775686 342871935 /nfs/dbraw/zinc/87/19/35/342871935.db2.gz TVEUGSJHTIRXFJ-UHFFFAOYSA-N 0 3 201.339 0.565 20 0 BCADHN CCN[C@H](C)C(=O)NCCCOCC ZINC000308623723 342858726 /nfs/dbraw/zinc/85/87/26/342858726.db2.gz VEBRAPBQFHEZBE-SECBINFHSA-N 0 3 202.298 0.527 20 0 BCADHN C[C@H](CO)CN1CCN(C[C@H](C)CO)[C@@H](C)C1 ZINC000678047089 488185122 /nfs/dbraw/zinc/18/51/22/488185122.db2.gz YYSVNRDEOBXIAG-AVGNSLFASA-N 0 3 244.379 0.249 20 0 BCADHN COCCN(C)CCCNC(=O)C12CC(C1)C2 ZINC000624064367 398316496 /nfs/dbraw/zinc/31/64/96/398316496.db2.gz FFIUDZNVPJJVJS-UHFFFAOYSA-N 0 3 240.347 0.871 20 0 BCADHN CC(C)N(C)C(=O)CN1CCN2CCC[C@@H]2C1 ZINC000336343399 398317977 /nfs/dbraw/zinc/31/79/77/398317977.db2.gz LGIQCWFUNBUPKC-GFCCVEGCSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CSCN1)N(C)C1CC1 ZINC000167342322 136245555 /nfs/dbraw/zinc/24/55/55/136245555.db2.gz QZCVIDKSLRKFKO-SCZZXKLOSA-N 0 3 243.376 0.248 20 0 BCADHN COC[C@@](C)(O)CNCc1cnc(C)s1 ZINC000379916943 365688358 /nfs/dbraw/zinc/68/83/58/365688358.db2.gz DCRQHZZTVPKRHR-JTQLQIEISA-N 0 3 230.333 0.939 20 0 BCADHN C[C@H](O)CNCc1ccc(C(N)=O)cc1 ZINC000035118334 342884122 /nfs/dbraw/zinc/88/41/22/342884122.db2.gz XRTQOQAAFSGERR-QMMMGPOBSA-N 0 3 208.261 0.256 20 0 BCADHN COC(=O)CCN1CCC[C@@H](CO)C1 ZINC000035150074 342884394 /nfs/dbraw/zinc/88/43/94/342884394.db2.gz CBESSIJLBWEBQF-SECBINFHSA-N 0 3 201.266 0.254 20 0 BCADHN CC1(CN2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000562340176 323017010 /nfs/dbraw/zinc/01/70/10/323017010.db2.gz AAOGZRZIGDTLHC-VIFPVBQESA-N 0 3 232.349 0.410 20 0 BCADHN CCO[C@@H](CN1CCNC(=O)CC1)C1CC1 ZINC000625136942 342887699 /nfs/dbraw/zinc/88/76/99/342887699.db2.gz VBKWBSKQGXYAAO-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN Cn1cc(CCN2CCCC[C@H]2CCO)nn1 ZINC000625136832 342887967 /nfs/dbraw/zinc/88/79/67/342887967.db2.gz PLILFUIHGFVPCU-LBPRGKRZSA-N 0 3 238.335 0.595 20 0 BCADHN C[C@H](CO)N[C@@H]1CCCc2c1cnn2C ZINC000035602134 342889954 /nfs/dbraw/zinc/88/99/54/342889954.db2.gz HVFRCEZHYYMPPM-PSASIEDQSA-N 0 3 209.293 0.768 20 0 BCADHN CC1(CN2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000562340169 323017047 /nfs/dbraw/zinc/01/70/47/323017047.db2.gz AAOGZRZIGDTLHC-SECBINFHSA-N 0 3 232.349 0.410 20 0 BCADHN CCCCC(=O)NC[C@](C)(O)CCN(C)C ZINC000352128927 398315172 /nfs/dbraw/zinc/31/51/72/398315172.db2.gz KJEZQUJHFMBUKU-GFCCVEGCSA-N 0 3 230.352 0.996 20 0 BCADHN CN(C)C(=O)CCCN(C)[C@@H]1CCN(C)C1=O ZINC000584002388 342899851 /nfs/dbraw/zinc/89/98/51/342899851.db2.gz XSEMOGWZZVIRHV-SNVBAGLBSA-N 0 3 241.335 0.017 20 0 BCADHN COC(=O)[C@]1(C)CCN([C@@H]2CCCNC2=O)C1 ZINC000336086710 398315571 /nfs/dbraw/zinc/31/55/71/398315571.db2.gz QGBALNZSDCUOLW-BXKDBHETSA-N 0 3 240.303 0.150 20 0 BCADHN C[C@H](O)CCN(C)C[C@H](O)CC1(O)CCC1 ZINC000625185316 342904744 /nfs/dbraw/zinc/90/47/44/342904744.db2.gz WLVAMACZUMSSIY-WDEREUQCSA-N 0 3 231.336 0.355 20 0 BCADHN CC(C(=O)Nc1ccc[nH]c1=O)S(C)(=O)=O ZINC000625197408 342908296 /nfs/dbraw/zinc/90/82/96/342908296.db2.gz DJLFSGUVUYZCAQ-LURJTMIESA-N 0 3 244.272 0.159 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NC1CCOCC1 ZINC000036319724 342908842 /nfs/dbraw/zinc/90/88/42/342908842.db2.gz ONPYRBGCHKAAMY-PSASIEDQSA-N 0 3 214.309 0.655 20 0 BCADHN CCCCN(C)CC(=O)NC(=O)NC1CC1 ZINC000016335597 342909765 /nfs/dbraw/zinc/90/97/65/342909765.db2.gz OXRPOHKLEJTUCX-UHFFFAOYSA-N 0 3 227.308 0.707 20 0 BCADHN C[C@H](N)C(=O)NCCc1cccc(F)c1 ZINC000036779655 342911089 /nfs/dbraw/zinc/91/10/89/342911089.db2.gz FOKCTQXJOUVAQS-QMMMGPOBSA-N 0 3 210.252 0.832 20 0 BCADHN CSC1(CNC2CN(C(C)=O)C2)CC1 ZINC000584004950 342900274 /nfs/dbraw/zinc/90/02/74/342900274.db2.gz BZPRBWSYCZDSFH-UHFFFAOYSA-N 0 3 214.334 0.702 20 0 BCADHN CO[C@@H]1CCCC[C@H]1NCC(=O)N(C)C ZINC000037254412 342925862 /nfs/dbraw/zinc/92/58/62/342925862.db2.gz YXICRLAYZSXOIT-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN Cc1cc(CN(C)C(=O)CNC(C)C)no1 ZINC000037477193 488186661 /nfs/dbraw/zinc/18/66/61/488186661.db2.gz ZPQMQKCDFSNYFR-UHFFFAOYSA-N 0 3 225.292 0.939 20 0 BCADHN CCOC(=O)C[C@H](O)CNC(C)(C)COC ZINC000233977460 342917201 /nfs/dbraw/zinc/91/72/01/342917201.db2.gz MZPXLALPNUJAKP-VIFPVBQESA-N 0 3 233.308 0.315 20 0 BCADHN CN(CCOC[C@H]1CCCO1)[C@H]1CCOC1 ZINC000525517882 259328951 /nfs/dbraw/zinc/32/89/51/259328951.db2.gz JPURCABKCJOREC-NWDGAFQWSA-N 0 3 229.320 0.903 20 0 BCADHN CCN(C(=O)C1CC(OC)C1)[C@H]1CCN(C)C1 ZINC000628053629 342921086 /nfs/dbraw/zinc/92/10/86/342921086.db2.gz CTUVOJXSJYAWBL-CXQJBGSLSA-N 0 3 240.347 0.964 20 0 BCADHN CN(CCOC1CCOCC1)C[C@H](O)C1CC1 ZINC000625224974 342921157 /nfs/dbraw/zinc/92/11/57/342921157.db2.gz SSZZPIPYBCJNEH-ZDUSSCGKSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@](O)(CN[C@@H]1COCC[C@H]1O)C(F)(F)F ZINC000634729809 344011384 /nfs/dbraw/zinc/01/13/84/344011384.db2.gz XHISKSAASGLKOW-PRJMDXOYSA-N 0 3 243.225 0.039 20 0 BCADHN CCCS(=O)(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000229067439 398327676 /nfs/dbraw/zinc/32/76/76/398327676.db2.gz LFHWICYHYFYKQZ-UWVGGRQHSA-N 0 3 234.365 0.608 20 0 BCADHN CC(C)CC[C@H](O)CN[C@@H]1COCC[C@H]1O ZINC000634729438 344011091 /nfs/dbraw/zinc/01/10/91/344011091.db2.gz LENJASZKTLSEJB-QJPTWQEYSA-N 0 3 231.336 0.523 20 0 BCADHN O=C(CNC1CC1)NCc1ccncc1 ZINC000037476920 398328172 /nfs/dbraw/zinc/32/81/72/398328172.db2.gz GURMTZZDQHDPFT-UHFFFAOYSA-N 0 3 205.261 0.450 20 0 BCADHN CC(=O)N1CCN(C(=O)[C@H](N)CC(C)C)CC1 ZINC000037492185 398329031 /nfs/dbraw/zinc/32/90/31/398329031.db2.gz XDLPXFOLRUBMCD-LLVKDONJSA-N 0 3 241.335 0.051 20 0 BCADHN CC1CC(N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000162328278 349660320 /nfs/dbraw/zinc/66/03/20/349660320.db2.gz KTDWQNDSFLUTNM-HWOCKDDLSA-N 0 3 217.334 0.952 20 0 BCADHN CC[C@H](N)C(=O)NCCNC(=O)C(C)(C)C ZINC000494854350 529442385 /nfs/dbraw/zinc/44/23/85/529442385.db2.gz ULDHNCWEBRNQAG-QMMMGPOBSA-N 0 3 229.324 0.002 20 0 BCADHN COC(=O)C1(O)CCN(CCC2CC2)CC1 ZINC000354842330 398330374 /nfs/dbraw/zinc/33/03/74/398330374.db2.gz VWRAWYSWRRQOSL-UHFFFAOYSA-N 0 3 227.304 0.786 20 0 BCADHN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1cscn1 ZINC000647265220 398337479 /nfs/dbraw/zinc/33/74/79/398337479.db2.gz ANSHDYDQWMHFSK-LURJTMIESA-N 0 3 235.334 0.016 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCc1[nH]ncc1C ZINC000289511189 398337816 /nfs/dbraw/zinc/33/78/16/398337816.db2.gz NASPJLNXRHVUJT-VIFPVBQESA-N 0 3 245.348 0.631 20 0 BCADHN CCCNC(=O)CN1CC[C@@]2(CCOC2)C1 ZINC000153913390 398338170 /nfs/dbraw/zinc/33/81/70/398338170.db2.gz LIZJRRWTNXQSOV-GFCCVEGCSA-N 0 3 226.320 0.625 20 0 BCADHN COCCOC[C@@H](O)CNCc1ccccc1 ZINC000234733103 342940581 /nfs/dbraw/zinc/94/05/81/342940581.db2.gz NMCXJSFSFNCOFO-ZDUSSCGKSA-N 0 3 239.315 0.800 20 0 BCADHN C[C@H](N)C(=O)NCCc1ccccc1F ZINC000011957494 346885554 /nfs/dbraw/zinc/88/55/54/346885554.db2.gz LKCZZNPCTKTBOD-QMMMGPOBSA-N 0 3 210.252 0.832 20 0 BCADHN CCC[C@@H](NC(C)C)C(=O)Nc1nc(C)no1 ZINC000351727551 136250052 /nfs/dbraw/zinc/25/00/52/136250052.db2.gz XSRAOJKAYGOADC-SECBINFHSA-N 0 3 240.307 0.905 20 0 BCADHN C[NH+](C)[C@H]1CCN(C(=O)c2cncc([O-])c2)C1 ZINC000111740158 398332215 /nfs/dbraw/zinc/33/22/15/398332215.db2.gz GIFVUDIMOFSJKL-JTQLQIEISA-N 0 3 235.287 0.563 20 0 BCADHN O=C(N[C@@H]1C=CCCC1)[C@@H]1CN2CCN1CCC2 ZINC000560339469 398333521 /nfs/dbraw/zinc/33/35/21/398333521.db2.gz MCOSYQSKFZFJAZ-OLZOCXBDSA-N 0 3 249.358 0.601 20 0 BCADHN O=C(COC(F)F)N1CC[C@@H](N2CCCC2)C1 ZINC000560485334 398333962 /nfs/dbraw/zinc/33/39/62/398333962.db2.gz QVDNIPXPYVRWSC-SECBINFHSA-N 0 3 248.273 0.922 20 0 BCADHN CC[C@@H](N)C(=O)N(C)CC(=O)Nc1ccccc1 ZINC000037811015 398334501 /nfs/dbraw/zinc/33/45/01/398334501.db2.gz LATLUGVINYIRNQ-LLVKDONJSA-N 0 3 249.314 0.821 20 0 BCADHN O=C(CNC1CC1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000037820139 398334596 /nfs/dbraw/zinc/33/45/96/398334596.db2.gz MVWJRZGQTBNHAH-SNVBAGLBSA-N 0 3 248.330 0.868 20 0 BCADHN CC[C@@H](N)C(=O)N(CC)C[C@H]1CCOC1 ZINC000037827273 398334708 /nfs/dbraw/zinc/33/47/08/398334708.db2.gz MSLXXHYKZGWVJK-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN CCN(C[C@@H]1CCOC1)C(=O)[C@@H](N)C(C)C ZINC000037827196 398334752 /nfs/dbraw/zinc/33/47/52/398334752.db2.gz KIUPOXOOLHNNDZ-QWRGUYRKSA-N 0 3 228.336 0.855 20 0 BCADHN CCN(C[C@H]1CCOC1)C(=O)[C@@H](N)C(C)C ZINC000037827197 398334758 /nfs/dbraw/zinc/33/47/58/398334758.db2.gz KIUPOXOOLHNNDZ-MNOVXSKESA-N 0 3 228.336 0.855 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@H]1CCOC1 ZINC000037739156 342946903 /nfs/dbraw/zinc/94/69/03/342946903.db2.gz TXXIYUBMQXVVLN-BDAKNGLRSA-N 0 3 200.282 0.267 20 0 BCADHN CCCC[C@@H](N)C(=O)NC[C@H]1CCOC1 ZINC000037739183 342946926 /nfs/dbraw/zinc/94/69/26/342946926.db2.gz MDLDBKUVBVNPBW-NXEZZACHSA-N 0 3 214.309 0.657 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC[C@H]1CCOC1 ZINC000037739140 342946928 /nfs/dbraw/zinc/94/69/28/342946928.db2.gz CKUHFADXAZJVFX-ZJUUUORDSA-N 0 3 214.309 0.513 20 0 BCADHN C[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1ccncn1 ZINC000624133673 346893444 /nfs/dbraw/zinc/89/34/44/346893444.db2.gz TWRLZDIANNJTLC-IWSPIJDZSA-N 0 3 220.276 0.391 20 0 BCADHN COC[C@@H](C)OC[C@@H](O)CNCc1ccoc1 ZINC000234777244 342942640 /nfs/dbraw/zinc/94/26/40/342942640.db2.gz SNCQIMWWTUONMG-PWSUYJOCSA-N 0 3 243.303 0.782 20 0 BCADHN C[C@H]1[C@H](CO)CCN1Cc1cnn(C)c1 ZINC000335735017 398342242 /nfs/dbraw/zinc/34/22/42/398342242.db2.gz MZCMFCPGQLRJFX-ONGXEEELSA-N 0 3 209.293 0.623 20 0 BCADHN COCCN(C)CCNC(=O)N[C@@H](C)C1CC1 ZINC000171192429 398342954 /nfs/dbraw/zinc/34/29/54/398342954.db2.gz ZVFNINPRBXBKSV-JTQLQIEISA-N 0 3 243.351 0.662 20 0 BCADHN CN(C)CC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000145628163 398344317 /nfs/dbraw/zinc/34/43/17/398344317.db2.gz MDZUIXORUSGEKA-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN O=C(CCn1ccnc1)N1CCCNCC1 ZINC000019431570 342948570 /nfs/dbraw/zinc/94/85/70/342948570.db2.gz RUGPPPIHMHBWRK-UHFFFAOYSA-N 0 3 222.292 0.095 20 0 BCADHN N[C@H](CC(=O)N1CCNC(=O)C1)c1ccccc1 ZINC000019504114 342949989 /nfs/dbraw/zinc/94/99/89/342949989.db2.gz YGSBBPWXABOQDX-LLVKDONJSA-N 0 3 247.298 0.035 20 0 BCADHN C[C@@H](O)CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000351768289 136252976 /nfs/dbraw/zinc/25/29/76/136252976.db2.gz WVTNXYBSIRXAHH-PWSUYJOCSA-N 0 3 240.347 0.890 20 0 BCADHN Cc1ncsc1C(=O)N1CCCNCC1 ZINC000019410247 342947813 /nfs/dbraw/zinc/94/78/13/342947813.db2.gz IHAJOFVLYMGMGV-UHFFFAOYSA-N 0 3 225.317 0.887 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N[C@@H]2CCOC2)C1 ZINC000167467731 136253670 /nfs/dbraw/zinc/25/36/70/136253670.db2.gz PGWCRXZGRUXOKX-OPRDCNLKSA-N 0 3 212.293 0.280 20 0 BCADHN COC1(CCNCc2cnnn2C)CCC1 ZINC000381864732 346899384 /nfs/dbraw/zinc/89/93/84/346899384.db2.gz JEUMYAPMNODQNC-UHFFFAOYSA-N 0 3 224.308 0.864 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@H](C)[C@H]1CO ZINC000576819236 365692507 /nfs/dbraw/zinc/69/25/07/365692507.db2.gz IAXUBLBHILQDPD-WDEREUQCSA-N 0 3 243.351 0.397 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H](C)[C@H](O)C1 ZINC000351780852 136254358 /nfs/dbraw/zinc/25/43/58/136254358.db2.gz MVSWXSKWHMNVHW-GMTAPVOTSA-N 0 3 228.336 0.554 20 0 BCADHN CO[C@H]1CC[C@@H](NC(=O)CNC(C)C)C1 ZINC000234821450 342954560 /nfs/dbraw/zinc/95/45/60/342954560.db2.gz WKVHMZCMIJSQHF-ZJUUUORDSA-N 0 3 214.309 0.668 20 0 BCADHN CCC[C@H](N)C(=O)N(C)[C@@H](C)COC ZINC000037815769 342955280 /nfs/dbraw/zinc/95/52/80/342955280.db2.gz VHSLGWRMSPUDOF-IUCAKERBSA-N 0 3 202.298 0.607 20 0 BCADHN C[C@@H]1CCN(CCc2cn(C)nn2)C[C@@H]1CO ZINC000625581265 344017215 /nfs/dbraw/zinc/01/72/15/344017215.db2.gz MRUJBDKDDWFWJT-GHMZBOCLSA-N 0 3 238.335 0.308 20 0 BCADHN CCOC(=O)c1ccc(CNC/C=C\CO)[nH]1 ZINC000602711213 349704309 /nfs/dbraw/zinc/70/43/09/349704309.db2.gz PUYGJWZAHGSQKY-ARJAWSKDSA-N 0 3 238.287 0.830 20 0 BCADHN COC[C@H](C)CN(CC(N)=O)C(C)C ZINC000189557804 346905335 /nfs/dbraw/zinc/90/53/35/346905335.db2.gz TUOPKBKONIZQFE-SECBINFHSA-N 0 3 202.298 0.465 20 0 BCADHN CCc1cc(N(CCO)CCCO)ccn1 ZINC000307788009 529529192 /nfs/dbraw/zinc/52/91/92/529529192.db2.gz QHDOQPHCMNCWKP-UHFFFAOYSA-N 0 3 224.304 0.825 20 0 BCADHN CC[C@@H](F)CN1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000499489242 529552919 /nfs/dbraw/zinc/55/29/19/529552919.db2.gz KZZWBJRVDFJPNJ-IWSPIJDZSA-N 0 3 202.273 0.788 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)CC1(O)CCC1 ZINC000353520720 187208970 /nfs/dbraw/zinc/20/89/70/187208970.db2.gz OOGCFSHGNMAIGC-SECBINFHSA-N 0 3 214.309 0.310 20 0 BCADHN CCc1cc(NCC(=O)N2CCOCC2)ccn1 ZINC000307767282 529553770 /nfs/dbraw/zinc/55/37/70/529553770.db2.gz HHJUPXHPKYSTBA-UHFFFAOYSA-N 0 3 249.314 0.915 20 0 BCADHN COC[C@@H](O)CN1CCC[C@H](OC)C1 ZINC000171973039 536732256 /nfs/dbraw/zinc/73/22/56/536732256.db2.gz CEOFTDLJVYDPJB-UWVGGRQHSA-N 0 3 203.282 0.105 20 0 BCADHN CCn1ccnc1/C=C\C(=O)N1CCCNCC1 ZINC000493318752 529557391 /nfs/dbraw/zinc/55/73/91/529557391.db2.gz KKPNFSLNZCJNNA-PLNGDYQASA-N 0 3 248.330 0.738 20 0 BCADHN CC[C@@H](N)C(=O)NCCc1ccncc1 ZINC000048262374 342975834 /nfs/dbraw/zinc/97/58/34/342975834.db2.gz CALWRYLSTUWKDD-SNVBAGLBSA-N 0 3 207.277 0.478 20 0 BCADHN CCOC(=O)C1(C)CC(NCc2c[nH]nn2)C1 ZINC000602715473 349706271 /nfs/dbraw/zinc/70/62/71/349706271.db2.gz NIBZWHGEKPZJHC-UHFFFAOYSA-N 0 3 238.291 0.626 20 0 BCADHN CC(C)[C@@H]1CCCN1CCS(=O)(=O)N(C)C ZINC000351845281 136257352 /nfs/dbraw/zinc/25/73/52/136257352.db2.gz RRASJZYRJNTUDD-NSHDSACASA-N 0 3 248.392 0.998 20 0 BCADHN COC[C@H](C)NCc1ccc(C(N)=O)cc1 ZINC000020042053 342967090 /nfs/dbraw/zinc/96/70/90/342967090.db2.gz SGSBULAYPAQXMG-VIFPVBQESA-N 0 3 222.288 0.910 20 0 BCADHN Cc1ccc(CNCC(=O)N2CCOCC2)cc1 ZINC000020054923 342967478 /nfs/dbraw/zinc/96/74/78/342967478.db2.gz MAGHCCJVBZHZTK-UHFFFAOYSA-N 0 3 248.326 0.943 20 0 BCADHN CN(C)CCN(C(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC000356288475 187212360 /nfs/dbraw/zinc/21/23/60/187212360.db2.gz KPBZFMDFHFVWHO-UHFFFAOYSA-N 0 3 249.314 0.953 20 0 BCADHN CC[C@@]1(O)CCN(CCN2CCCC2=O)C1 ZINC000495199362 529573259 /nfs/dbraw/zinc/57/32/59/529573259.db2.gz FWVFWXYTSXBRBH-GFCCVEGCSA-N 0 3 226.320 0.456 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1CC[C@@H]1CCNC1=O ZINC000516935444 259337028 /nfs/dbraw/zinc/33/70/28/259337028.db2.gz YTOVIDFQBTUYDW-VWYCJHECSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@](O)(C(=O)N1CCN2CCC[C@@H]2C1)C1CC1 ZINC000335901388 136259072 /nfs/dbraw/zinc/25/90/72/136259072.db2.gz DBCLENVQRRIMGF-DGCLKSJQSA-N 0 3 238.331 0.454 20 0 BCADHN CN(C)CC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000355881353 187212879 /nfs/dbraw/zinc/21/28/79/187212879.db2.gz OOAYWUNLOSAGMF-LLVKDONJSA-N 0 3 225.336 0.243 20 0 BCADHN CSCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000608791301 342979390 /nfs/dbraw/zinc/97/93/90/342979390.db2.gz WWJSHDBEQFNTEX-SECBINFHSA-N 0 3 231.365 0.743 20 0 BCADHN C[C@@H](N)C(=O)N(C)[C@H](C)c1ccncc1 ZINC000037823918 342985691 /nfs/dbraw/zinc/98/56/91/342985691.db2.gz XRQDIYPNOYROII-RKDXNWHRSA-N 0 3 207.277 0.948 20 0 BCADHN CC(C)[C@H](C(=O)NCCc1cn[nH]c1)N(C)C ZINC000356999869 187213979 /nfs/dbraw/zinc/21/39/79/187213979.db2.gz JWNBKGDFBHKRCS-LLVKDONJSA-N 0 3 238.335 0.655 20 0 BCADHN CCN(C#N)CCN[C@H](C(=O)NC)C(C)C ZINC000602804970 349743444 /nfs/dbraw/zinc/74/34/44/349743444.db2.gz IPUIFUBBNZSCMQ-JTQLQIEISA-N 0 3 226.324 0.150 20 0 BCADHN CCN(C#N)CCN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000602772194 349726693 /nfs/dbraw/zinc/72/66/93/349726693.db2.gz KZBNGUNDNJDQSQ-WDEREUQCSA-N 0 3 238.335 0.375 20 0 BCADHN CCS(=O)(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000246979511 343006556 /nfs/dbraw/zinc/00/65/56/343006556.db2.gz MNBWBWHFYAWVHE-ZJUUUORDSA-N 0 3 234.365 0.654 20 0 BCADHN CCc1cccnc1NC(=O)C[C@H]1CNCCO1 ZINC000518179451 259338396 /nfs/dbraw/zinc/33/83/96/259338396.db2.gz CLFVDOLMDCPFAP-NSHDSACASA-N 0 3 249.314 0.961 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000358335725 187215320 /nfs/dbraw/zinc/21/53/20/187215320.db2.gz NSIBAYDTZPZKFT-GFCCVEGCSA-N 0 3 241.335 0.051 20 0 BCADHN CCO[C@H]1C[C@@H]1C(=O)NCCN(C)C1CC1 ZINC000067865880 349760082 /nfs/dbraw/zinc/76/00/82/349760082.db2.gz KNCCWFBCYGQSIB-QWRGUYRKSA-N 0 3 226.320 0.622 20 0 BCADHN CC(C)N(CCN1CCOCC1)[C@H]1CCOC1 ZINC000361404107 187218781 /nfs/dbraw/zinc/21/87/81/187218781.db2.gz RDYBEZJNBKZWHF-ZDUSSCGKSA-N 0 3 242.363 0.818 20 0 BCADHN CCN(C#N)CCN[C@@H]1CCC[C@H]1C(=O)NC ZINC000602820344 349761244 /nfs/dbraw/zinc/76/12/44/349761244.db2.gz JTFVNMBQJLYLGX-GHMZBOCLSA-N 0 3 238.335 0.294 20 0 BCADHN CCN(C#N)CCN[C@]1(C)CCO[C@H]1C ZINC000602823522 349763034 /nfs/dbraw/zinc/76/30/34/349763034.db2.gz UWPCMQODAZWGBK-WDEREUQCSA-N 0 3 211.309 0.946 20 0 BCADHN CC(C)N(C)C(=O)CN1C[C@@H](C)[C@H](CO)C1 ZINC000362052313 187219807 /nfs/dbraw/zinc/21/98/07/187219807.db2.gz DXGKZONPPUPCGT-MNOVXSKESA-N 0 3 228.336 0.413 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc2nccnc2c1 ZINC000050459745 343022097 /nfs/dbraw/zinc/02/20/97/343022097.db2.gz HTMRODLOHBBFST-DTWKUNHWSA-N 0 3 228.255 0.916 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000362516614 187219981 /nfs/dbraw/zinc/21/99/81/187219981.db2.gz QXVIMLRFYQUQNZ-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN CCOC(=O)CN(CC(C)C)C(=O)[C@@H]1C[C@@H]1N ZINC000050462397 343022317 /nfs/dbraw/zinc/02/23/17/343022317.db2.gz RNQIFWBQOICWHR-ZJUUUORDSA-N 0 3 242.319 0.381 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(N)CC1 ZINC000335905500 136260862 /nfs/dbraw/zinc/26/08/62/136260862.db2.gz MAGUJEHOHJRTPC-SCZZXKLOSA-N 0 3 223.320 0.077 20 0 BCADHN CC(C)CCOCCNC(=O)[C@@H]1C[C@@H]1N ZINC000050465501 343022691 /nfs/dbraw/zinc/02/26/91/343022691.db2.gz STTMTWONFSGNMJ-ZJUUUORDSA-N 0 3 214.309 0.513 20 0 BCADHN CCN(C#N)CCN(CC)CC(C)(C)O ZINC000602788116 349751498 /nfs/dbraw/zinc/75/14/98/349751498.db2.gz SCKFCTGIXVPPBS-UHFFFAOYSA-N 0 3 213.325 0.882 20 0 BCADHN COC(=O)[C@@]1(C)CCN(CCc2cnccn2)C1 ZINC000602789724 349752575 /nfs/dbraw/zinc/75/25/75/349752575.db2.gz ZLCDMTUYPIMWRJ-ZDUSSCGKSA-N 0 3 249.314 0.904 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)NCC(C)=O ZINC000602809450 349753290 /nfs/dbraw/zinc/75/32/90/349753290.db2.gz IOEFSTHWQCEHIN-BDAKNGLRSA-N 0 3 201.266 0.753 20 0 BCADHN Cn1cccc1C(=O)C(=O)NC[C@@H]1CCN(C)C1 ZINC000351875243 136261133 /nfs/dbraw/zinc/26/11/33/136261133.db2.gz IVJLFPMFWFILTK-JTQLQIEISA-N 0 3 249.314 0.276 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)NCCN(C#N)CC ZINC000602811990 349755648 /nfs/dbraw/zinc/75/56/48/349755648.db2.gz RFEXKNMKOBEFBE-MNOVXSKESA-N 0 3 241.335 0.967 20 0 BCADHN CC(C)[C@@]1(CO)CCN(C[C@@H]2CNC(=O)O2)C1 ZINC000368072503 187221647 /nfs/dbraw/zinc/22/16/47/187221647.db2.gz XFIMNAPLGUQLPB-JQWIXIFHSA-N 0 3 242.319 0.435 20 0 BCADHN CC[C@@H](C(=O)N1CC(n2cncn2)C1)N(C)C ZINC000370653727 187221843 /nfs/dbraw/zinc/22/18/43/187221843.db2.gz NKJYXKUCCMFNLJ-JTQLQIEISA-N 0 3 237.307 0.002 20 0 BCADHN C1=CCC(CN2CCN(c3nccnn3)CC2)C1 ZINC000625645428 344024432 /nfs/dbraw/zinc/02/44/32/344024432.db2.gz NNPRCHWMESZDSC-UHFFFAOYSA-N 0 3 245.330 0.960 20 0 BCADHN CC(C)N(CC(=O)N(C)C)C1CCOCC1 ZINC000119598305 187222594 /nfs/dbraw/zinc/22/25/94/187222594.db2.gz PXBDBMNFZQOMOF-UHFFFAOYSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCN(CCO)CC1 ZINC000303246891 187223519 /nfs/dbraw/zinc/22/35/19/187223519.db2.gz STSPFFWLVAWTNV-LLVKDONJSA-N 0 3 230.352 0.003 20 0 BCADHN CC(C)N(CC(=O)N(C)CC1CC1)C[C@@H](C)O ZINC000303980468 187223576 /nfs/dbraw/zinc/22/35/76/187223576.db2.gz FIWDHRKUUGPONM-LLVKDONJSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)[C@@H]1CCOC1 ZINC000151900429 323032601 /nfs/dbraw/zinc/03/26/01/323032601.db2.gz KKNZBAXHXRWYHA-LLVKDONJSA-N 0 3 228.336 0.822 20 0 BCADHN COC(=O)CCC(C)(C)NC(=O)CNC1CC1 ZINC000576824439 365694282 /nfs/dbraw/zinc/69/42/82/365694282.db2.gz YSDBWSWSWVHFIH-UHFFFAOYSA-N 0 3 242.319 0.586 20 0 BCADHN O=C(c1cnn2ncccc12)N1CCCNCC1 ZINC000576823824 365694295 /nfs/dbraw/zinc/69/42/95/365694295.db2.gz SCMVRQBIFOQZLC-UHFFFAOYSA-N 0 3 245.286 0.165 20 0 BCADHN COC[C@@H](C)NCc1cc(=O)n2ccccc2n1 ZINC000048694507 343053843 /nfs/dbraw/zinc/05/38/43/343053843.db2.gz BQHXKTOHENPEAN-SNVBAGLBSA-N 0 3 247.298 0.819 20 0 BCADHN CC(C)COCCN1CCO[C@@H](CN(C)C)C1 ZINC000375974573 187226269 /nfs/dbraw/zinc/22/62/69/187226269.db2.gz KKDUZWKDPFUBBG-ZDUSSCGKSA-N 0 3 244.379 0.921 20 0 BCADHN CC(=O)CCN1CC[C@H](C(=O)N2CCCC2)C1 ZINC000376532151 187226561 /nfs/dbraw/zinc/22/65/61/187226561.db2.gz RMDWSNHQVYRBOG-LBPRGKRZSA-N 0 3 238.331 0.910 20 0 BCADHN Cc1ncc(C(=O)NC[C@@H]2CNCCO2)s1 ZINC000235940622 343067367 /nfs/dbraw/zinc/06/73/67/343067367.db2.gz CHOLVQGXKGROHX-QMMMGPOBSA-N 0 3 241.316 0.170 20 0 BCADHN Nc1ccccc1NC(=O)CNC[C@H]1CCCO1 ZINC000119174220 343068189 /nfs/dbraw/zinc/06/81/89/343068189.db2.gz BGLJXCOXSYEAKY-SNVBAGLBSA-N 0 3 249.314 0.976 20 0 BCADHN CC[C@H](COC)NC1CN(C(=O)OC)C1 ZINC000181469797 259346492 /nfs/dbraw/zinc/34/64/92/259346492.db2.gz AZSDNNTVCXKQAF-MRVPVSSYSA-N 0 3 216.281 0.452 20 0 BCADHN COCCOC[C@@H](C)NCc1cnc(C)n1C ZINC000576838982 365702121 /nfs/dbraw/zinc/70/21/21/365702121.db2.gz VOHADXOEHXCDJI-SNVBAGLBSA-N 0 3 241.335 0.870 20 0 BCADHN CCC[C@@H](C)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000336626885 136264692 /nfs/dbraw/zinc/26/46/92/136264692.db2.gz OBGJNHRFKVMCDT-BDAKNGLRSA-N 0 3 225.292 0.411 20 0 BCADHN CN1CCN(CCOCCO)CC1(C)C ZINC000082484287 362026651 /nfs/dbraw/zinc/02/66/51/362026651.db2.gz GKGSSLAKUCNVQG-UHFFFAOYSA-N 0 3 216.325 0.021 20 0 BCADHN CC(=O)Nc1cccc(NC(=O)[C@H]2CCN2)c1 ZINC000335744684 187231179 /nfs/dbraw/zinc/23/11/79/187231179.db2.gz RZOXIVFGCNRULP-LLVKDONJSA-N 0 3 233.271 0.945 20 0 BCADHN CCN(C#N)CCN1C[C@@H](C)C(O)[C@H](C)C1 ZINC000602890425 349795022 /nfs/dbraw/zinc/79/50/22/349795022.db2.gz ZEEKRCGBKGNAFA-GHMZBOCLSA-N 0 3 225.336 0.738 20 0 BCADHN Cc1ccc(CNCCN2CC[C@H](O)C2)nc1 ZINC000623837764 343091675 /nfs/dbraw/zinc/09/16/75/343091675.db2.gz SWBXJXPXZHMZPG-ZDUSSCGKSA-N 0 3 235.331 0.546 20 0 BCADHN Cc1cc(C(=O)NC[C@@H](C)N(C)C)on1 ZINC000046273304 343103049 /nfs/dbraw/zinc/10/30/49/343103049.db2.gz XUCCODBWEPHYBT-MRVPVSSYSA-N 0 3 211.265 0.663 20 0 BCADHN CC(C)[C@H](O)CNCc1cnc(N(C)C)n1C ZINC000124563255 187232346 /nfs/dbraw/zinc/23/23/46/187232346.db2.gz FNDLIONLEBMXMY-LLVKDONJSA-N 0 3 240.351 0.593 20 0 BCADHN CC1(C)[C@H](NC(=O)CNC2CC2)[C@@H]2CCO[C@@H]21 ZINC000236769964 343109985 /nfs/dbraw/zinc/10/99/85/343109985.db2.gz DNKZJMFTPBUTAL-WCQGTBRESA-N 0 3 238.331 0.668 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@H](O)C1 ZINC000127374064 187232414 /nfs/dbraw/zinc/23/24/14/187232414.db2.gz GYKOCRSPQHFZDA-JTQLQIEISA-N 0 3 214.309 0.310 20 0 BCADHN CC(C)[C@@H]1CN([C@@H]2COC[C@H]2O)CCCO1 ZINC000339811735 187232481 /nfs/dbraw/zinc/23/24/81/187232481.db2.gz LAJXPSSJNOBBEL-UTUOFQBUSA-N 0 3 229.320 0.493 20 0 BCADHN CN(CCNC(=O)c1cccn1C)C1CC1 ZINC000067873025 362094439 /nfs/dbraw/zinc/09/44/39/362094439.db2.gz MKUPSOSYHHBOOV-UHFFFAOYSA-N 0 3 221.304 0.849 20 0 BCADHN CCc1[nH]nc(NC(=O)CNC2CC2)c1C ZINC000237089834 343122839 /nfs/dbraw/zinc/12/28/39/343122839.db2.gz SNNFRCPFXVIMED-UHFFFAOYSA-N 0 3 222.292 0.971 20 0 BCADHN Cc1ccc([C@@H](O)CNC(=O)CN)cc1 ZINC000237619272 187234143 /nfs/dbraw/zinc/23/41/43/187234143.db2.gz IVUKDDLYLJINHT-JTQLQIEISA-N 0 3 208.261 0.103 20 0 BCADHN CCO[C@@H](CC)C(=O)N1CCCNCC1 ZINC000237041502 343121771 /nfs/dbraw/zinc/12/17/71/343121771.db2.gz YGGUYSJLKAYBCA-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CN(C)c1ncccc1CNC(=O)CNC1CC1 ZINC000237066007 343122259 /nfs/dbraw/zinc/12/22/59/343122259.db2.gz ZRVBDGGFLHFGOV-UHFFFAOYSA-N 0 3 248.330 0.516 20 0 BCADHN CC(C)(N)C(=O)NCCCOCC(F)(F)F ZINC000236790638 343111178 /nfs/dbraw/zinc/11/11/78/343111178.db2.gz ZSFLHMPIHCSVMV-UHFFFAOYSA-N 0 3 242.241 0.809 20 0 BCADHN CC(C)(C)[C@@H](N)c1cn(CCOCCO)nn1 ZINC000640936442 362074244 /nfs/dbraw/zinc/07/42/44/362074244.db2.gz XONUSSJZWSDXFI-JTQLQIEISA-N 0 3 242.323 0.333 20 0 BCADHN COCCN1CC[C@@H](NCc2cn(C)cn2)C1 ZINC000673601806 488201435 /nfs/dbraw/zinc/20/14/35/488201435.db2.gz PEBRRYWFIMALGO-LLVKDONJSA-N 0 3 238.335 0.230 20 0 BCADHN CCOCCN(CC)C[C@@](C)(O)C(=O)OC ZINC000070714769 343146273 /nfs/dbraw/zinc/14/62/73/343146273.db2.gz RPANGTBKBMYJIF-LLVKDONJSA-N 0 3 233.308 0.269 20 0 BCADHN CCN1CCN(CCC(=O)OC)C[C@H]1C ZINC000247777889 343122896 /nfs/dbraw/zinc/12/28/96/343122896.db2.gz RCJCQYJOHDJQEQ-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN COC(=O)[C@]1(C)CCN(C(=O)CNC2CC2)C1 ZINC000237128613 343127235 /nfs/dbraw/zinc/12/72/35/343127235.db2.gz QUSWUVZEUJVGSV-GFCCVEGCSA-N 0 3 240.303 0.150 20 0 BCADHN CC[C@H](NCc1cnc(N(C)C)n1C)[C@H](C)O ZINC000386866361 343133688 /nfs/dbraw/zinc/13/36/88/343133688.db2.gz KEWFQCXQQGSBNR-ONGXEEELSA-N 0 3 240.351 0.735 20 0 BCADHN COC[C@@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000081062629 488204488 /nfs/dbraw/zinc/20/44/88/488204488.db2.gz CYDRHRGCDOZVNM-SNVBAGLBSA-N 0 3 226.320 0.753 20 0 BCADHN Cn1cc(CCCNC(=O)CNC2CC2)cn1 ZINC000237773844 343182783 /nfs/dbraw/zinc/18/27/83/343182783.db2.gz BBSVXDJJXANCTE-UHFFFAOYSA-N 0 3 236.319 0.221 20 0 BCADHN O=C(CNCC1(O)CCC1)N1CCCC1 ZINC000131161882 343183145 /nfs/dbraw/zinc/18/31/45/343183145.db2.gz VOHWLVUQMPMMMY-UHFFFAOYSA-N 0 3 212.293 0.113 20 0 BCADHN CC(C)NCC(=O)N1CCN(C)C(=O)C1(C)C ZINC000094866019 343153997 /nfs/dbraw/zinc/15/39/97/343153997.db2.gz PTRHJFUDNGZWKI-UHFFFAOYSA-N 0 3 241.335 0.064 20 0 BCADHN O=C(C[C@@H]1CCCCO1)NC[C@@H]1CNCCO1 ZINC000095031631 343154435 /nfs/dbraw/zinc/15/44/35/343154435.db2.gz XDEWKOSFFSLJSA-QWRGUYRKSA-N 0 3 242.319 0.050 20 0 BCADHN CN1CCN(C(=O)Cc2ccccc2)[C@@H](CN)C1 ZINC000122558749 343160005 /nfs/dbraw/zinc/16/00/05/343160005.db2.gz DOZPRLWKBBQRIC-ZDUSSCGKSA-N 0 3 247.342 0.330 20 0 BCADHN Cc1occc1C(=O)N1CCN(C)C[C@H]1CN ZINC000122654017 343160783 /nfs/dbraw/zinc/16/07/83/343160783.db2.gz KVVWEZJDANRYRU-SNVBAGLBSA-N 0 3 237.303 0.303 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC(n2ccnc2)CC1 ZINC000576956540 365732358 /nfs/dbraw/zinc/73/23/58/365732358.db2.gz DHFPEQUNLIQHHJ-JTQLQIEISA-N 0 3 236.319 0.655 20 0 BCADHN Cc1ccccc1C(=O)N1CCN(C)C[C@H]1CN ZINC000122632933 343160811 /nfs/dbraw/zinc/16/08/11/343160811.db2.gz OFBZVLCJNWTQED-GFCCVEGCSA-N 0 3 247.342 0.710 20 0 BCADHN O=C(CNC1CC1)N1C[C@H]2CCC[C@@H]2C1 ZINC000125388993 343173695 /nfs/dbraw/zinc/17/36/95/343173695.db2.gz XOVOIXDVMPNJHD-NXEZZACHSA-N 0 3 208.305 0.997 20 0 BCADHN C[C@@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)C(F)F ZINC000641006105 362120823 /nfs/dbraw/zinc/12/08/23/362120823.db2.gz YWWKVRVFORGDNX-HRDYMLBCSA-N 0 3 247.289 0.986 20 0 BCADHN NC(=O)Nc1ccc(NC(=O)C2(N)CCC2)cc1 ZINC000147737376 343198384 /nfs/dbraw/zinc/19/83/84/343198384.db2.gz AGWQRIWHIYDIPD-UHFFFAOYSA-N 0 3 248.286 0.997 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000569708688 323038090 /nfs/dbraw/zinc/03/80/90/323038090.db2.gz WRNGCRIKXVBPGZ-IUCAKERBSA-N 0 3 228.292 0.006 20 0 BCADHN C[C@@H](NCC(=O)N1CCCCC1)[C@H](C)O ZINC000161604091 343204522 /nfs/dbraw/zinc/20/45/22/343204522.db2.gz WWTSUXWVRLGUDU-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cn[nH]c1 ZINC000678145956 488207648 /nfs/dbraw/zinc/20/76/48/488207648.db2.gz QNCHPLWOHQKOCB-PSASIEDQSA-N 0 3 222.292 0.496 20 0 BCADHN CSCCN(C)C(=O)C[C@@H]1CNCCO1 ZINC000167407239 343209164 /nfs/dbraw/zinc/20/91/64/343209164.db2.gz AIWMSRPWWWERBD-SECBINFHSA-N 0 3 232.349 0.186 20 0 BCADHN C[C@@H]1CN(CCc2cn(C)nn2)[C@H](C)CN1C ZINC000625281441 343219392 /nfs/dbraw/zinc/21/93/92/343219392.db2.gz IOIRRJAHSVUVTC-GHMZBOCLSA-N 0 3 237.351 0.382 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1CCc1cn(C)nn1 ZINC000625287099 343221015 /nfs/dbraw/zinc/22/10/15/343221015.db2.gz JNUJHXCMYSHRGJ-WDEREUQCSA-N 0 3 237.351 0.382 20 0 BCADHN O=C(NCCNC[C@H](O)C(F)(F)F)C1CC1 ZINC000135156587 343192773 /nfs/dbraw/zinc/19/27/73/343192773.db2.gz NKPUOBLJGKMZJF-ZETCQYMHSA-N 0 3 240.225 0.025 20 0 BCADHN C[C@@H](NC(=O)CNC1CC1)C(=O)NC(C)(C)C ZINC000135433884 343193009 /nfs/dbraw/zinc/19/30/09/343193009.db2.gz LZXAQWQNXZOQNA-MRVPVSSYSA-N 0 3 241.335 0.158 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H](C)C(F)F ZINC000641004732 362119389 /nfs/dbraw/zinc/11/93/89/362119389.db2.gz SQVNBPSKOJLSOP-BQBZGAKWSA-N 0 3 223.267 0.889 20 0 BCADHN O=C(CCc1ccncc1)NC[C@@H]1CNCCO1 ZINC000134254692 343193724 /nfs/dbraw/zinc/19/37/24/343193724.db2.gz MMUZUCGOERNJQY-LBPRGKRZSA-N 0 3 249.314 0.119 20 0 BCADHN COCCN(CCOC)C[C@@H](O)C(C)C ZINC000087538417 136281985 /nfs/dbraw/zinc/28/19/85/136281985.db2.gz KDDBUZCFKHTEJO-LLVKDONJSA-N 0 3 219.325 0.598 20 0 BCADHN O=S1(=O)CCC[C@@H]1CN[C@@H]1CCCOC1 ZINC000087970135 136282639 /nfs/dbraw/zinc/28/26/39/136282639.db2.gz IYLSLBKEMXGTTG-NXEZZACHSA-N 0 3 233.333 0.332 20 0 BCADHN CCO[C@@H](CN(C)[C@@]1(CO)CCOC1)C1CC1 ZINC000625321607 343234317 /nfs/dbraw/zinc/23/43/17/343234317.db2.gz QEUQBGGYPJRUBC-QWHCGFSZSA-N 0 3 243.347 0.885 20 0 BCADHN CN(CCc1cn(C)nn1)CCN(C)C1CC1 ZINC000625328047 343235049 /nfs/dbraw/zinc/23/50/49/343235049.db2.gz KGPGTNBCAICRQI-UHFFFAOYSA-N 0 3 237.351 0.384 20 0 BCADHN CCOC1CCN(C[C@@H]2CNCCO2)CC1 ZINC000043802497 488208362 /nfs/dbraw/zinc/20/83/62/488208362.db2.gz RZYUNCCKZNSUOE-LBPRGKRZSA-N 0 3 228.336 0.476 20 0 BCADHN COCCN(C)CCNC(=O)NCCSC ZINC000608892795 343241271 /nfs/dbraw/zinc/24/12/71/343241271.db2.gz JUYINNPEINZTKF-UHFFFAOYSA-N 0 3 249.380 0.227 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2cccc(N)n2)C1 ZINC000051071566 343243751 /nfs/dbraw/zinc/24/37/51/343243751.db2.gz RAXWSPNEXYHTQV-JTQLQIEISA-N 0 3 248.330 0.735 20 0 BCADHN C[C@H]1CC(O)C[C@H](C)N1CCc1cn(C)nn1 ZINC000625354752 343246935 /nfs/dbraw/zinc/24/69/35/343246935.db2.gz LNLNGKLZWMBZLS-UWVGGRQHSA-N 0 3 238.335 0.591 20 0 BCADHN CO[C@H]1CN(CCc2cn(C)nn2)CC[C@@H]1C ZINC000625358802 343248699 /nfs/dbraw/zinc/24/86/99/343248699.db2.gz DHDOPYIFKHVPNX-JQWIXIFHSA-N 0 3 238.335 0.714 20 0 BCADHN C[C@@H]1CCN(CCc2cn(C)nn2)[C@H]1CO ZINC000625358827 343248724 /nfs/dbraw/zinc/24/87/24/343248724.db2.gz QBPAZHGWRPFHIW-KOLCDFICSA-N 0 3 224.308 0.060 20 0 BCADHN COCCCN[C@@H]1CCCS(=O)(=O)C1 ZINC000068939603 343253393 /nfs/dbraw/zinc/25/33/93/343253393.db2.gz VCQUOVCMJKIXSA-SECBINFHSA-N 0 3 221.322 0.190 20 0 BCADHN CCOC[C@@H](O)CN(C)C[C@@H]1CCCO1 ZINC000068950507 343254189 /nfs/dbraw/zinc/25/41/89/343254189.db2.gz BITLWVBNBVFCOH-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN C[C@@H]1CCN(CCN2CCOCC2)C[C@H]1CO ZINC000621367211 343283713 /nfs/dbraw/zinc/28/37/13/343283713.db2.gz XDZVYMZVBLAVSL-OLZOCXBDSA-N 0 3 242.363 0.269 20 0 BCADHN CC(C)OC[C@H](O)CN(C)C[C@@H](C)O ZINC000069661070 343287574 /nfs/dbraw/zinc/28/75/74/343287574.db2.gz OLYITSWMNZJHIG-NXEZZACHSA-N 0 3 205.298 0.085 20 0 BCADHN CCC[C@H](N)c1cn([C@@H]2CCCNC2=O)nn1 ZINC000641051845 362161324 /nfs/dbraw/zinc/16/13/24/362161324.db2.gz PHCVEAFXMDZFGB-WCBMZHEXSA-N 0 3 237.307 0.529 20 0 BCADHN C[C@H](NC(=O)CN1CCNCC1)c1ccccc1 ZINC000019976591 343261655 /nfs/dbraw/zinc/26/16/55/343261655.db2.gz VEJANIYHAAMEQQ-LBPRGKRZSA-N 0 3 247.342 0.769 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000084200000 136290807 /nfs/dbraw/zinc/29/08/07/136290807.db2.gz HIXLDNLIWAFXSU-HLTSFMKQSA-N 0 3 200.282 0.360 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@H](C)OC[C@H]1C ZINC000084199995 136290829 /nfs/dbraw/zinc/29/08/29/136290829.db2.gz HIXLDNLIWAFXSU-VGMNWLOBSA-N 0 3 200.282 0.360 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2c[nH]cn2)nn1 ZINC000641035699 362147458 /nfs/dbraw/zinc/14/74/58/362147458.db2.gz VTKSWFIDWMHHLO-SECBINFHSA-N 0 3 220.280 0.849 20 0 BCADHN CC[C@](C)(N)c1cn([C@H]2CCCNC2=O)nn1 ZINC000641052163 362161104 /nfs/dbraw/zinc/16/11/04/362161104.db2.gz QOYSQSRQQFLLCK-KWQFWETISA-N 0 3 237.307 0.313 20 0 BCADHN CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@H](C)N)C1 ZINC000121754406 343276379 /nfs/dbraw/zinc/27/63/79/343276379.db2.gz FBZLPRSYJNAFGZ-LLZONULXSA-N 0 3 246.376 0.530 20 0 BCADHN Cn1cc(Cn2cc([C@H](N)C(C)(C)C)nn2)nn1 ZINC000641056537 362165433 /nfs/dbraw/zinc/16/54/33/362165433.db2.gz KRWCQHKVWWPXAO-JTQLQIEISA-N 0 3 249.322 0.501 20 0 BCADHN CCN(CC)Cc1cn(Cc2cn[nH]n2)nn1 ZINC000641057044 362166007 /nfs/dbraw/zinc/16/60/07/362166007.db2.gz WSRQQUCUIHTGGI-UHFFFAOYSA-N 0 3 235.295 0.286 20 0 BCADHN COC[C@H](NCC(=O)NCC1CCC1)C1CC1 ZINC000181569388 536871873 /nfs/dbraw/zinc/87/18/73/536871873.db2.gz GNRFNZGKKURWHY-LBPRGKRZSA-N 0 3 240.347 0.917 20 0 BCADHN CCC[C@H](N)C(=O)Nc1ccccc1C(N)=O ZINC000036872974 343326029 /nfs/dbraw/zinc/32/60/29/343326029.db2.gz GLUWJXQKKOSMLU-VIFPVBQESA-N 0 3 235.287 0.851 20 0 BCADHN CC(C)(C)[C@H](N)c1cn(Cc2c[nH]nn2)nn1 ZINC000641056761 362166633 /nfs/dbraw/zinc/16/66/33/362166633.db2.gz PVNOUXIKTSIJDO-SECBINFHSA-N 0 3 235.295 0.490 20 0 BCADHN C[C@@H](CN1CCOCC1)NCc1ccccn1 ZINC000036932923 343327967 /nfs/dbraw/zinc/32/79/67/343327967.db2.gz HFYSSSQCTIWNPY-LBPRGKRZSA-N 0 3 235.331 0.892 20 0 BCADHN CC[C@@H](N)c1cn(Cc2cc(OC)no2)nn1 ZINC000641055822 362167394 /nfs/dbraw/zinc/16/73/94/362167394.db2.gz UUARTSWUTGKZIA-MRVPVSSYSA-N 0 3 237.263 0.733 20 0 BCADHN CNC(=O)CN[C@H]1CCO[C@@H](C(C)C)C1 ZINC000069860621 343293315 /nfs/dbraw/zinc/29/33/15/343293315.db2.gz AKKYLNRQBOIWLG-VHSXEESVSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@H]1C[C@@H](NCC(=O)NC2CC2)CCO1 ZINC000069861855 343293452 /nfs/dbraw/zinc/29/34/52/343293452.db2.gz MHTIVFYVXUPSFF-WPRPVWTQSA-N 0 3 212.293 0.422 20 0 BCADHN CCCS(=O)(=O)NCCCN1CCCC1 ZINC000069902221 343293949 /nfs/dbraw/zinc/29/39/49/343293949.db2.gz YZKKYQAAMFMLMB-UHFFFAOYSA-N 0 3 234.365 0.802 20 0 BCADHN CCS(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000060244312 343295345 /nfs/dbraw/zinc/29/53/45/343295345.db2.gz AIQAQBOTIOMXTP-NSHDSACASA-N 0 3 246.376 0.896 20 0 BCADHN CCN(CCC(=O)OC)[C@@H]1CCOC1 ZINC000070531618 343332343 /nfs/dbraw/zinc/33/23/43/343332343.db2.gz XGIQOTICACJRSM-SECBINFHSA-N 0 3 201.266 0.660 20 0 BCADHN CC(C)C(=O)NCCN(C)CCC(C)(C)O ZINC000347960737 136293574 /nfs/dbraw/zinc/29/35/74/136293574.db2.gz RFVDSPBFHXPQMH-UHFFFAOYSA-N 0 3 230.352 0.851 20 0 BCADHN C[C@H](CO)NCc1ccc2c(c1)OCCO2 ZINC000035602370 343299320 /nfs/dbraw/zinc/29/93/20/343299320.db2.gz KPSPSHGZISHISR-SECBINFHSA-N 0 3 223.272 0.928 20 0 BCADHN CC[C@@H]1CN(C)CCN1CC1(C(=O)OC)CC1 ZINC000584049532 343307025 /nfs/dbraw/zinc/30/70/25/343307025.db2.gz PKCCBWPSGTZQGY-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CSCCN1CCC2(CNC(=O)N2C)CC1 ZINC000335612269 136295349 /nfs/dbraw/zinc/29/53/49/136295349.db2.gz QKEUGLCJDRHECV-UHFFFAOYSA-N 0 3 243.376 0.839 20 0 BCADHN CCN1CCC(CNS(C)(=O)=O)CC1 ZINC000070228363 343313471 /nfs/dbraw/zinc/31/34/71/343313471.db2.gz DPQKENPOBNHCDJ-UHFFFAOYSA-N 0 3 220.338 0.268 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCNC(C)(C)C1 ZINC000335627408 136299598 /nfs/dbraw/zinc/29/95/98/136299598.db2.gz QXKPWKFHYBEUBX-SECBINFHSA-N 0 3 213.325 0.180 20 0 BCADHN Cc1cncn1CC(=O)N(C)CC1CN(C)C1 ZINC000628076718 343363036 /nfs/dbraw/zinc/36/30/36/343363036.db2.gz FWMRVIIOXAZNOZ-UHFFFAOYSA-N 0 3 236.319 0.212 20 0 BCADHN CO[C@]1(C)CCCN(CCc2cn(C)nn2)C1 ZINC000625380290 343367685 /nfs/dbraw/zinc/36/76/85/343367685.db2.gz DHVVSHYPDSQOGD-GFCCVEGCSA-N 0 3 238.335 0.859 20 0 BCADHN CC1(C)CN(CCOC2CCOCC2)C[C@@H]1O ZINC000625380127 343368018 /nfs/dbraw/zinc/36/80/18/343368018.db2.gz AXIAJKNUPLGJNV-LBPRGKRZSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@H](CNC(=O)c1ccc(N)cc1)N(C)C ZINC000038089237 343370383 /nfs/dbraw/zinc/37/03/83/343370383.db2.gz KRMUGEJHPGXYLL-SECBINFHSA-N 0 3 221.304 0.949 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)C1CC1 ZINC000335653489 136305485 /nfs/dbraw/zinc/30/54/85/136305485.db2.gz JPRWQHXNHSDLAI-ZETCQYMHSA-N 0 3 204.220 0.510 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H](CC)COC ZINC000070623883 343336052 /nfs/dbraw/zinc/33/60/52/343336052.db2.gz CIMMKHRNRZPUOT-IUCAKERBSA-N 0 3 202.298 0.526 20 0 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/nfs/dbraw/zinc/33/87/81/136338781.db2.gz NGWRAMZIGSXFPJ-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCC(F)(F)F ZINC000081901176 343434033 /nfs/dbraw/zinc/43/40/33/343434033.db2.gz DYBHXQNPYBNWSF-LURJTMIESA-N 0 3 233.255 0.962 20 0 BCADHN C[C@H]1CN(C)CCN1C[C@H](O)COC(C)(C)C ZINC000349346750 136342657 /nfs/dbraw/zinc/34/26/57/136342657.db2.gz MISWESDGDIOCDL-RYUDHWBXSA-N 0 3 244.379 0.798 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCCC1 ZINC000135015229 343447027 /nfs/dbraw/zinc/44/70/27/343447027.db2.gz YYTUYGJMPAXDHA-SECBINFHSA-N 0 3 201.266 0.396 20 0 BCADHN CC[C@H](N)c1cn(Cc2cnc(C)nc2)nn1 ZINC000641154010 362241155 /nfs/dbraw/zinc/24/11/55/362241155.db2.gz CRJZOPSCNACQOY-JTQLQIEISA-N 0 3 232.291 0.835 20 0 BCADHN Cc1nc(Cn2cc(CCN(C)C)nn2)[nH]c1C ZINC000641156359 362242466 /nfs/dbraw/zinc/24/24/66/362242466.db2.gz HLKQNASPKBRZMU-UHFFFAOYSA-N 0 3 248.334 0.770 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CC[C@H](C)C1 ZINC000135021719 343450226 /nfs/dbraw/zinc/45/02/26/343450226.db2.gz IIYLEYMTMSHFJQ-UWVGGRQHSA-N 0 3 215.293 0.642 20 0 BCADHN CCc1nnc(Cn2cc(CNC3CC3)nn2)[nH]1 ZINC000641158387 362244253 /nfs/dbraw/zinc/24/42/53/362244253.db2.gz LOPXSUAFUAPGLR-UHFFFAOYSA-N 0 3 247.306 0.259 20 0 BCADHN CO[C@H]1CC[C@@H](NC(=O)N(C)CCN(C)C)C1 ZINC000350555306 136362299 /nfs/dbraw/zinc/36/22/99/136362299.db2.gz JYNXRHTWFWRAHN-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN CN(C)CCc1cn(CC[C@@H]2CCCO2)nn1 ZINC000641098097 362224248 /nfs/dbraw/zinc/22/42/48/362224248.db2.gz TUOZNUNMSDWJKY-LBPRGKRZSA-N 0 3 238.335 0.951 20 0 BCADHN Cc1cccnc1CNC(=O)[C@@]1(F)CCNC1 ZINC000166642241 136362555 /nfs/dbraw/zinc/36/25/55/136362555.db2.gz BFJMFWHXZIXVOP-GFCCVEGCSA-N 0 3 237.278 0.708 20 0 BCADHN CO[C@@H](CNC(=O)N[C@@H](C)CN(C)C)C(C)C ZINC000353992365 136363488 /nfs/dbraw/zinc/36/34/88/136363488.db2.gz BRKFPRGDGPEKPH-QWRGUYRKSA-N 0 3 245.367 0.907 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@@H](C)[C@H](C)OC ZINC000191705614 136363502 /nfs/dbraw/zinc/36/35/02/136363502.db2.gz LGVSAHINKWALPH-GUBZILKMSA-N 0 3 216.325 0.914 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)CNC2CC2)[C@@H](C)O1 ZINC000395064657 362226602 /nfs/dbraw/zinc/22/66/02/362226602.db2.gz AMKXIZOSTKTDAV-NQMVMOMDSA-N 0 3 212.293 0.421 20 0 BCADHN COC[C@@H](Cn1cc(CCN(C)C)nn1)OC ZINC000641110141 362227943 /nfs/dbraw/zinc/22/79/43/362227943.db2.gz SJHOIUBFEJDOSX-LLVKDONJSA-N 0 3 242.323 0.044 20 0 BCADHN CO[C@@H](C)[C@@H](C)NCC(=O)NCC(F)(F)F ZINC000166989014 136367279 /nfs/dbraw/zinc/36/72/79/136367279.db2.gz JNYJXRCRRXRXGZ-RQJHMYQMSA-N 0 3 242.241 0.678 20 0 BCADHN CCOC[C@H](C)NC[C@H](O)C(F)(F)F ZINC000082681039 343460114 /nfs/dbraw/zinc/46/01/14/343460114.db2.gz HLKPAIYWBRNWHZ-BQBZGAKWSA-N 0 3 215.215 0.924 20 0 BCADHN CO[C@@H](C)[C@H](C)NCC(=O)NCC(F)(F)F ZINC000166988916 136367714 /nfs/dbraw/zinc/36/77/14/136367714.db2.gz JNYJXRCRRXRXGZ-BQBZGAKWSA-N 0 3 242.241 0.678 20 0 BCADHN Cn1cc([C@@H](CO)NCCc2ccncc2)cn1 ZINC000351605758 136369746 /nfs/dbraw/zinc/36/97/46/136369746.db2.gz RBXORYSAPZTXFE-CYBMUJFWSA-N 0 3 246.314 0.681 20 0 BCADHN Cc1ncc(CN2C[C@@H](C(N)=O)CC[C@H]2C)cn1 ZINC000351608220 136370163 /nfs/dbraw/zinc/37/01/63/136370163.db2.gz NWUWGPONDBDZQC-SKDRFNHKSA-N 0 3 248.330 0.871 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1cscn1 ZINC000082626717 343457156 /nfs/dbraw/zinc/45/71/56/343457156.db2.gz SYEUQGYBNWYBBQ-ZETCQYMHSA-N 0 3 213.306 0.410 20 0 BCADHN CCC[C@@H](N)C(=O)NCc1cscn1 ZINC000082626618 343457227 /nfs/dbraw/zinc/45/72/27/343457227.db2.gz YWBNPWMXAXMYHA-MRVPVSSYSA-N 0 3 213.306 0.887 20 0 BCADHN CC(C)CNC(=O)CN[C@H](C)Cn1cccn1 ZINC000042540395 343442146 /nfs/dbraw/zinc/44/21/46/343442146.db2.gz ADYCZLBEENOJNX-LLVKDONJSA-N 0 3 238.335 0.633 20 0 BCADHN CC(C)CNC(=O)CN[C@@H](C)Cn1cccn1 ZINC000042540392 343442185 /nfs/dbraw/zinc/44/21/85/343442185.db2.gz ADYCZLBEENOJNX-NSHDSACASA-N 0 3 238.335 0.633 20 0 BCADHN C[C@H](Cn1cccn1)N[C@H](C)C(=O)NC1CC1 ZINC000042540264 343442336 /nfs/dbraw/zinc/44/23/36/343442336.db2.gz MEOIPQKREMXUNN-NXEZZACHSA-N 0 3 236.319 0.528 20 0 BCADHN C[C@H](Cn1cccn1)N[C@H]1CCCCNC1=O ZINC000042540506 343442405 /nfs/dbraw/zinc/44/24/05/343442405.db2.gz GQECWIPKCRHARI-MNOVXSKESA-N 0 3 236.319 0.530 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)C(C)S(C)(=O)=O ZINC000408414116 133485805 /nfs/dbraw/zinc/48/58/05/133485805.db2.gz FIAWOXFJKZWPTN-BWZBUEFSSA-N 0 3 219.306 0.334 20 0 BCADHN CN1CC[C@H](C(=O)N2CC[C@@H](O)C2(C)C)C1 ZINC000258967465 136374037 /nfs/dbraw/zinc/37/40/37/136374037.db2.gz COKZIRMDHNTSDB-VHSXEESVSA-N 0 3 226.320 0.310 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCc2n[nH]cc2C1 ZINC000335656566 136376381 /nfs/dbraw/zinc/37/63/81/136376381.db2.gz NMQZIJCGHJFZPL-SNVBAGLBSA-N 0 3 222.292 0.278 20 0 BCADHN CCOCCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000083118357 343473410 /nfs/dbraw/zinc/47/34/10/343473410.db2.gz SRUXRLGZPNOKSA-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1CCNC[C@H]1NS(=O)(=O)CC1CC1 ZINC000083140219 343477976 /nfs/dbraw/zinc/47/79/76/343477976.db2.gz HRBJHLCBRPHBCX-PSASIEDQSA-N 0 3 232.349 0.314 20 0 BCADHN CCCC[C@H](CN)NC(=O)C(=O)c1ccc[nH]1 ZINC000623066551 349812701 /nfs/dbraw/zinc/81/27/01/349812701.db2.gz KDYOPFGSSATDMF-SECBINFHSA-N 0 3 237.303 0.831 20 0 BCADHN CCOC(=O)C[C@H](O)CN(CCO)C(C)C ZINC000135025618 343487976 /nfs/dbraw/zinc/48/79/76/343487976.db2.gz VMHVMDFTMARVMD-JTQLQIEISA-N 0 3 233.308 0.003 20 0 BCADHN CCCN(C(=O)[C@@H](O)C1CC1)[C@@H]1CCN(C)C1 ZINC000616467682 343462466 /nfs/dbraw/zinc/46/24/66/343462466.db2.gz HMFQFLCRODMCCS-NEPJUHHUSA-N 0 3 240.347 0.700 20 0 BCADHN CCCn1nccc1C(=O)NC[C@H](C)N(C)C ZINC000616488157 343469939 /nfs/dbraw/zinc/46/99/39/343469939.db2.gz RRGCNSCAFCQTLY-JTQLQIEISA-N 0 3 238.335 0.973 20 0 BCADHN CC[C@](C)(CO)C(=O)NC[C@H](C)N(C)C ZINC000616486636 343471880 /nfs/dbraw/zinc/47/18/80/343471880.db2.gz BFABMVNCAPLRLN-GXSJLCMTSA-N 0 3 216.325 0.461 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@H]1CCOC1 ZINC000047718820 343472079 /nfs/dbraw/zinc/47/20/79/343472079.db2.gz GDDJSMJVGCEGOE-SNVBAGLBSA-N 0 3 214.309 0.466 20 0 BCADHN COCCCOCCC(=O)NC[C@H](C)N(C)C ZINC000616486779 343472284 /nfs/dbraw/zinc/47/22/84/343472284.db2.gz GKEFQUVKKHDFGC-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CO[C@H](C(=O)NC[C@H](C)N(C)C)C1CCC1 ZINC000616486834 343472464 /nfs/dbraw/zinc/47/24/64/343472464.db2.gz HJALSSKRBSJISD-ONGXEEELSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H](CNC(=O)[C@@]12C[C@@H]1COC2(C)C)N(C)C ZINC000616487123 343472967 /nfs/dbraw/zinc/47/29/67/343472967.db2.gz PKZYZFGNPHRRFF-OPQQBVKSSA-N 0 3 240.347 0.868 20 0 BCADHN NCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000083888633 343505808 /nfs/dbraw/zinc/50/58/08/343505808.db2.gz XDQIPKRBRVEFKS-MRVPVSSYSA-N 0 3 225.317 0.808 20 0 BCADHN COCCCCNC(=O)CNC(C)C ZINC000044659928 343511499 /nfs/dbraw/zinc/51/14/99/343511499.db2.gz HWHGOFNUNBZUGK-UHFFFAOYSA-N 0 3 202.298 0.527 20 0 BCADHN OCCN1CCC[C@@H](c2ncccn2)C1 ZINC000616621686 343523392 /nfs/dbraw/zinc/52/33/92/343523392.db2.gz VLTRCTTYNSAZJY-SNVBAGLBSA-N 0 3 207.277 0.648 20 0 BCADHN CSC[C@@H](O)CN1CCN(C(C)C)CC1 ZINC000187815193 259363696 /nfs/dbraw/zinc/36/36/96/259363696.db2.gz NGYKWRQUWJJRFB-NSHDSACASA-N 0 3 232.393 0.736 20 0 BCADHN C[C@H]1OCC[C@H]1Cn1cc(CCN(C)C)nn1 ZINC000641160883 362246744 /nfs/dbraw/zinc/24/67/44/362246744.db2.gz RFDRRAGWOQATJF-MNOVXSKESA-N 0 3 238.335 0.807 20 0 BCADHN CCOC(=O)CCCN1C[C@H](O)C[C@@]1(C)CO ZINC000602900284 349815457 /nfs/dbraw/zinc/81/54/57/349815457.db2.gz SODNCQQTZVLJSK-PWSUYJOCSA-N 0 3 245.319 0.147 20 0 BCADHN COCC1(NCc2cn(C)nc2C)CC1 ZINC000379944453 365755446 /nfs/dbraw/zinc/75/54/46/365755446.db2.gz QDYSSZNDUAHSCH-UHFFFAOYSA-N 0 3 209.293 0.997 20 0 BCADHN CCN(C#N)CCN1C[C@@H]2COC[C@]2(C)C1 ZINC000602896722 349814132 /nfs/dbraw/zinc/81/41/32/349814132.db2.gz QSQBPXTUAYVHRB-NEPJUHHUSA-N 0 3 223.320 0.758 20 0 BCADHN CN(C)C1(CNC(=O)Cc2cccnc2)CC1 ZINC000622721113 343574007 /nfs/dbraw/zinc/57/40/07/343574007.db2.gz CBDFRTZWSUFMOT-UHFFFAOYSA-N 0 3 233.315 0.835 20 0 BCADHN CN(C)C1(CNC(=O)c2cnccn2)CC1 ZINC000622721485 343574424 /nfs/dbraw/zinc/57/44/24/343574424.db2.gz SVHRMBCAEMTSLG-UHFFFAOYSA-N 0 3 220.276 0.301 20 0 BCADHN CN(C)C1(CNC(=O)CC(C)(C)O)CC1 ZINC000622721374 343574485 /nfs/dbraw/zinc/57/44/85/343574485.db2.gz ODHLWGCXPLVEDT-UHFFFAOYSA-N 0 3 214.309 0.358 20 0 BCADHN Cn1cc(C(=O)NCCN2CCCCC2)cn1 ZINC000046855522 343553734 /nfs/dbraw/zinc/55/37/34/343553734.db2.gz WHFUCZPATDCWMD-UHFFFAOYSA-N 0 3 236.319 0.636 20 0 BCADHN CCN(C#N)CCN1CC[C@@H]2COC[C@@H]2C1 ZINC000602902243 349816295 /nfs/dbraw/zinc/81/62/95/349816295.db2.gz HUPAKXWXLPXXBR-NEPJUHHUSA-N 0 3 223.320 0.758 20 0 BCADHN CN1CCC(NC(=O)c2ccccn2)CC1 ZINC000047829134 343566434 /nfs/dbraw/zinc/56/64/34/343566434.db2.gz VYNYHJPNFMZHAO-UHFFFAOYSA-N 0 3 219.288 0.906 20 0 BCADHN CCN(C#N)CCN1CC[C@@H]2COC[C@H]2C1 ZINC000602902250 349816455 /nfs/dbraw/zinc/81/64/55/349816455.db2.gz HUPAKXWXLPXXBR-VXGBXAGGSA-N 0 3 223.320 0.758 20 0 BCADHN CC(C)C[C@H](CO)NCc1cnn(C)c1 ZINC000040774769 187264370 /nfs/dbraw/zinc/26/43/70/187264370.db2.gz OFWGZZUIWKUBNM-LLVKDONJSA-N 0 3 211.309 0.917 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCCN1C ZINC000622727920 343578202 /nfs/dbraw/zinc/57/82/02/343578202.db2.gz KIVXXCWQSPYJLG-KOLCDFICSA-N 0 3 241.335 0.064 20 0 BCADHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1cn[nH]c1 ZINC000624237608 343584026 /nfs/dbraw/zinc/58/40/26/343584026.db2.gz AAMRGPJBPKVRNA-HGNGGELXSA-N 0 3 211.265 0.210 20 0 BCADHN C[C@@H]1OCC[C@H]1N[C@H]1CCN(C2CCC2)C1=O ZINC000623842880 343584820 /nfs/dbraw/zinc/58/48/20/343584820.db2.gz YWRIMFUJVYWSOY-WCQGTBRESA-N 0 3 238.331 0.907 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)Cc1ccon1 ZINC000622728847 343579784 /nfs/dbraw/zinc/57/97/84/343579784.db2.gz LZQOJYZCAUAKIR-NSHDSACASA-N 0 3 237.303 0.770 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)Cc1cncnc1 ZINC000622728756 343579839 /nfs/dbraw/zinc/57/98/39/343579839.db2.gz JZSNEKWTPXREQW-GFCCVEGCSA-N 0 3 248.330 0.572 20 0 BCADHN CCN(CC(C)(C)C)c1nc(N)nc(N)n1 ZINC000624236203 343581302 /nfs/dbraw/zinc/58/13/02/343581302.db2.gz YBDDNDRPXWBACT-UHFFFAOYSA-N 0 3 224.312 0.569 20 0 BCADHN OC[C@@H](CNCc1ccccn1)[C@H]1CCOC1 ZINC000584106292 343597418 /nfs/dbraw/zinc/59/74/18/343597418.db2.gz SFILNOSLEVLZTB-NWDGAFQWSA-N 0 3 236.315 0.816 20 0 BCADHN CC(C)[C@H](CO)NC[C@H](O)C(F)(F)F ZINC000086123829 343611147 /nfs/dbraw/zinc/61/11/47/343611147.db2.gz CSPTVIQPYWVQLH-BQBZGAKWSA-N 0 3 215.215 0.516 20 0 BCADHN CCCN(CC)C(=O)CNCCOC ZINC000086157924 343612091 /nfs/dbraw/zinc/61/20/91/343612091.db2.gz JINUVDXQWWFABK-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN CC[C@H](C)N(C)C(=O)CNCCOC ZINC000086157930 343612187 /nfs/dbraw/zinc/61/21/87/343612187.db2.gz OSQKSQZDNLUVES-VIFPVBQESA-N 0 3 202.298 0.479 20 0 BCADHN CC[C@@H](N)C(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000152918254 343612200 /nfs/dbraw/zinc/61/22/00/343612200.db2.gz HVFDRIDYEAWQHC-NXEZZACHSA-N 0 3 230.352 0.883 20 0 BCADHN COCCNCC(=O)N1CC[C@@H](C)C1 ZINC000086158114 343612662 /nfs/dbraw/zinc/61/26/62/343612662.db2.gz XLWRNXDFWHYJKP-SECBINFHSA-N 0 3 200.282 0.091 20 0 BCADHN COCCNCC(=O)N1CCC[C@H]1C ZINC000086158055 343612672 /nfs/dbraw/zinc/61/26/72/343612672.db2.gz CWSCJYUYXBFRMN-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN CCC[C@@H](CC)NC(=O)CNCCOC ZINC000086158205 343612678 /nfs/dbraw/zinc/61/26/78/343612678.db2.gz ZRZBUJCTYSCIOW-SNVBAGLBSA-N 0 3 216.325 0.917 20 0 BCADHN CC[C@H](NC(=O)CNCCOC)C(C)C ZINC000086158152 343612761 /nfs/dbraw/zinc/61/27/61/343612761.db2.gz OBZFAHSRXLWQBM-JTQLQIEISA-N 0 3 216.325 0.773 20 0 BCADHN COC(=O)CN(C)C[C@@H]1CCCN1C ZINC000086189019 343613868 /nfs/dbraw/zinc/61/38/68/343613868.db2.gz WRNULLIVJITIEJ-VIFPVBQESA-N 0 3 200.282 0.185 20 0 BCADHN C[C@H]1C[C@H](C)N(CC(=O)N2CCN(C)CC2)C1 ZINC000335868401 344036013 /nfs/dbraw/zinc/03/60/13/344036013.db2.gz ACXLKFKPGSDTKK-RYUDHWBXSA-N 0 3 239.363 0.491 20 0 BCADHN COC(=O)[C@@]1(C)CN(CC(=O)N(C)C)C[C@@H]1C ZINC000602926211 349820725 /nfs/dbraw/zinc/82/07/25/349820725.db2.gz GPXYDMHUJYXIDB-CABZTGNLSA-N 0 3 242.319 0.206 20 0 BCADHN CN(C)CCNC(=O)c1cn2ccccc2n1 ZINC000052893352 343641504 /nfs/dbraw/zinc/64/15/04/343641504.db2.gz VROPDSRHYWPZNH-UHFFFAOYSA-N 0 3 232.287 0.626 20 0 BCADHN CCOC(=O)COCCN1CCC(O)CC1 ZINC000087256291 343641960 /nfs/dbraw/zinc/64/19/60/343641960.db2.gz HZONZDDYPARTMP-UHFFFAOYSA-N 0 3 231.292 0.023 20 0 BCADHN O=C(CN[C@@H]1CCOC1)NCC(F)(F)F ZINC000087415960 343648960 /nfs/dbraw/zinc/64/89/60/343648960.db2.gz YJIGXOMVUURYGA-ZCFIWIBFSA-N 0 3 226.198 0.043 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CC[C@@H](O)C[C@H]1C ZINC000602930175 349822351 /nfs/dbraw/zinc/82/23/51/349822351.db2.gz IYGXUEHECCWBHQ-MXWKQRLJSA-N 0 3 245.319 0.146 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@@H](N)CC ZINC000087369885 343645441 /nfs/dbraw/zinc/64/54/41/343645441.db2.gz OSPJZHZMPATVOJ-BDAKNGLRSA-N 0 3 202.298 0.249 20 0 BCADHN CC[C@H](C(=O)NC1([C@H](C)O)CC1)N(C)C ZINC000620065490 343622386 /nfs/dbraw/zinc/62/23/86/343622386.db2.gz ULMINEIYVKEEMW-DTWKUNHWSA-N 0 3 214.309 0.356 20 0 BCADHN CNC(C)(C)c1cn(Cc2cccnc2N)nn1 ZINC000641165591 362249202 /nfs/dbraw/zinc/24/92/02/362249202.db2.gz GQEQFNHAAURQLI-UHFFFAOYSA-N 0 3 246.318 0.758 20 0 BCADHN C[C@@H]1[C@H](C)N(CCCC(=O)N(C)C)CCN1C ZINC000580580782 365790436 /nfs/dbraw/zinc/79/04/36/365790436.db2.gz ISWDIDMBMXEIQN-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN COC(=O)CCN1C[C@H](OC)C[C@]1(C)CO ZINC000602963837 349826461 /nfs/dbraw/zinc/82/64/61/349826461.db2.gz JBSPCYSUBDSEIJ-MWLCHTKSSA-N 0 3 231.292 0.021 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC(CCF)CC1 ZINC000602948936 349819795 /nfs/dbraw/zinc/81/97/95/349819795.db2.gz XDZGKOGIQAGJBY-GFCCVEGCSA-N 0 3 247.310 0.982 20 0 BCADHN Cc1nc(Cn2cc([C@H](N)C(C)(C)C)nn2)n[nH]1 ZINC000641166022 362248809 /nfs/dbraw/zinc/24/88/09/362248809.db2.gz IAIFEPDBMFUGPE-JTQLQIEISA-N 0 3 249.322 0.799 20 0 BCADHN Cc1nnc(Cn2cc([C@H](N)C(C)(C)C)nn2)[nH]1 ZINC000641166022 362248812 /nfs/dbraw/zinc/24/88/12/362248812.db2.gz IAIFEPDBMFUGPE-JTQLQIEISA-N 0 3 249.322 0.799 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)/C=C/C2CC2)C1 ZINC000492604952 529800332 /nfs/dbraw/zinc/80/03/32/529800332.db2.gz QTVYXQZKGTVUFN-ZYOFXKKJSA-N 0 3 224.304 0.135 20 0 BCADHN CN1CC[C@@](O)(CNCc2cncc(F)c2)C1 ZINC000494475221 529800934 /nfs/dbraw/zinc/80/09/34/529800934.db2.gz SDJWLPNQXCKPHH-GFCCVEGCSA-N 0 3 239.294 0.377 20 0 BCADHN COC[C@@H](NCc1ccnn1C)C1CC1 ZINC000087480429 343650349 /nfs/dbraw/zinc/65/03/49/343650349.db2.gz ZGVAGBZCTHMPSA-LLVKDONJSA-N 0 3 209.293 0.935 20 0 BCADHN COCC1(N[C@@H](C)CC(=O)N(C)C)CC1 ZINC000379917139 343655338 /nfs/dbraw/zinc/65/53/38/343655338.db2.gz DGALAUNEBNJBKU-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@@H]1CCCOCC1 ZINC000380100036 343679466 /nfs/dbraw/zinc/67/94/66/343679466.db2.gz IMXHBRRQISSQDL-GHMZBOCLSA-N 0 3 242.319 0.050 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N(C)CCC(C)C ZINC000077211637 343670952 /nfs/dbraw/zinc/67/09/52/343670952.db2.gz CFNIYKHZURHRIS-VIFPVBQESA-N 0 3 229.324 0.808 20 0 BCADHN COC(=O)N1CC(NCC2(SC)CC2)C1 ZINC000309096271 259369248 /nfs/dbraw/zinc/36/92/48/259369248.db2.gz DZBCQAFHHCSTAI-UHFFFAOYSA-N 0 3 230.333 0.922 20 0 BCADHN CN1CCC[C@H](NC(=O)NC2CCOCC2)C1 ZINC000057831685 343694190 /nfs/dbraw/zinc/69/41/90/343694190.db2.gz ILUTYCNCVAWLDY-NSHDSACASA-N 0 3 241.335 0.559 20 0 BCADHN CNS(=O)(=O)C[C@H]1CCCN1CC1(C)CC1 ZINC000683832597 488229878 /nfs/dbraw/zinc/22/98/78/488229878.db2.gz SCXDAVRQEIBTBD-SNVBAGLBSA-N 0 3 246.376 0.800 20 0 BCADHN CC(C)[C@@H]1CN([C@H]2COC[C@H]2O)CCS1 ZINC000340276203 187346041 /nfs/dbraw/zinc/34/60/41/187346041.db2.gz DNFOJFPQXUVHKJ-AXFHLTTASA-N 0 3 231.361 0.820 20 0 BCADHN CC(F)(F)CCN1CC(C)(C(N)=O)C1 ZINC000584111362 343696367 /nfs/dbraw/zinc/69/63/67/343696367.db2.gz ZOCDZBCUCDUOFC-UHFFFAOYSA-N 0 3 206.236 0.839 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCCN1CCCCC1 ZINC000049575493 187269876 /nfs/dbraw/zinc/26/98/76/187269876.db2.gz NQRPKESCGQSVMN-GFCCVEGCSA-N 0 3 241.379 0.962 20 0 BCADHN CC[C@@H](O)CN(C)[C@H](C)C[S@](C)=O ZINC000126211449 343682467 /nfs/dbraw/zinc/68/24/67/343682467.db2.gz MUEJSYQJQOFSCP-JRKPZEMJSA-N 0 3 207.339 0.456 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000620147974 343686824 /nfs/dbraw/zinc/68/68/24/343686824.db2.gz YAGBJYLJXNRCJZ-VXGBXAGGSA-N 0 3 240.347 0.823 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Cc1ccn[nH]1 ZINC000336346188 537802986 /nfs/dbraw/zinc/80/29/86/537802986.db2.gz VDBPQWJXOYHQHW-VHSXEESVSA-N 0 3 236.319 0.503 20 0 BCADHN Cn1cncc1CCN1CCc2nc[nH]c2C1 ZINC000625435207 343736551 /nfs/dbraw/zinc/73/65/51/343736551.db2.gz OHRHPLJISIUKLW-UHFFFAOYSA-N 0 3 231.303 0.744 20 0 BCADHN CN(CC(=O)N(C)C)C[C@@H]1CCSC1 ZINC000495056416 529825138 /nfs/dbraw/zinc/82/51/38/529825138.db2.gz CGVAUSYFIRGXGC-VIFPVBQESA-N 0 3 216.350 0.760 20 0 BCADHN CN1C[C@H](CN2CCC[C@H]2CCCO)OC1=O ZINC000496766043 529825750 /nfs/dbraw/zinc/82/57/50/529825750.db2.gz IAKGESIMSBZHKA-WDEREUQCSA-N 0 3 242.319 0.674 20 0 BCADHN C[C@H](NCCN1CC[C@H](O)C1)c1ccco1 ZINC000624333752 343716337 /nfs/dbraw/zinc/71/63/37/343716337.db2.gz WOEHJHABCLQCHD-QWRGUYRKSA-N 0 3 224.304 0.997 20 0 BCADHN Cc1cccc(NCCNC(=O)CNC2CC2)n1 ZINC000154662961 343744319 /nfs/dbraw/zinc/74/43/19/343744319.db2.gz MEACAUPZQJFIKZ-UHFFFAOYSA-N 0 3 248.330 0.670 20 0 BCADHN CN1CCC(CC(=O)NCc2ccncn2)CC1 ZINC000623027560 346960804 /nfs/dbraw/zinc/96/08/04/346960804.db2.gz OQQUYBQDOQHJJT-UHFFFAOYSA-N 0 3 248.330 0.825 20 0 BCADHN CN(C[C@H](O)CC1(O)CCC1)C1(CO)CC1 ZINC000625426354 343727205 /nfs/dbraw/zinc/72/72/05/343727205.db2.gz QRKXMGNABPOZBG-SNVBAGLBSA-N 0 3 229.320 0.109 20 0 BCADHN CN1C[C@@H](CN2CCC[C@@H](O)CC2)OC1=O ZINC000496119622 529817242 /nfs/dbraw/zinc/81/72/42/529817242.db2.gz FQUCZNOFALCRFT-ZJUUUORDSA-N 0 3 228.292 0.284 20 0 BCADHN CN1C[C@@H](CN2CCC[C@H](CO)C2)OC1=O ZINC000496429753 529817318 /nfs/dbraw/zinc/81/73/18/529817318.db2.gz KHAOJBXAFXSPSG-UWVGGRQHSA-N 0 3 228.292 0.141 20 0 BCADHN CN1C[C@@H](CN2CCC[C@]2(C)CO)OC1=O ZINC000495797038 529817342 /nfs/dbraw/zinc/81/73/42/529817342.db2.gz ZYVOJCLUVVECOK-GXSJLCMTSA-N 0 3 228.292 0.284 20 0 BCADHN CN1C[C@@H](CN2CCN(C)CC2(C)C)OC1=O ZINC000495724961 529817456 /nfs/dbraw/zinc/81/74/56/529817456.db2.gz DAFQFWBVWBTHIJ-JTQLQIEISA-N 0 3 241.335 0.463 20 0 BCADHN CN1C[C@@H](CN2CCC[C@H](O)CC2)OC1=O ZINC000496119618 529817549 /nfs/dbraw/zinc/81/75/49/529817549.db2.gz FQUCZNOFALCRFT-UWVGGRQHSA-N 0 3 228.292 0.284 20 0 BCADHN CN1C[C@@H](CN2CC[C@H](O)C2(C)C)OC1=O ZINC000497041458 529817772 /nfs/dbraw/zinc/81/77/72/529817772.db2.gz VBUOXBRCYHYJAP-IUCAKERBSA-N 0 3 228.292 0.282 20 0 BCADHN C[C@H](N)C(=O)NCCOCC(F)(F)F ZINC000082627843 133504095 /nfs/dbraw/zinc/50/40/95/133504095.db2.gz OFXLKXXGNHRZPV-YFKPBYRVSA-N 0 3 214.187 0.029 20 0 BCADHN CCNC(=O)CN1CCC[C@H]1C[C@H](C)O ZINC000252696871 343731877 /nfs/dbraw/zinc/73/18/77/343731877.db2.gz DAUYJDYYNVAXQJ-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN COC(=O)c1csc(NC(=O)[C@H]2CCN2)c1 ZINC000584167298 343767794 /nfs/dbraw/zinc/76/77/94/343767794.db2.gz RTGRUDSGYKIQRP-SSDOTTSWSA-N 0 3 240.284 0.835 20 0 BCADHN NC(=O)[C@]1(NCCC2CCCC2)CCOC1 ZINC000584180283 343770355 /nfs/dbraw/zinc/77/03/55/343770355.db2.gz IGLBRHCOKNKHGU-LBPRGKRZSA-N 0 3 226.320 0.801 20 0 BCADHN Cc1noc(CCN[C@@H]2CCO[C@H]2C)n1 ZINC000089518784 343747346 /nfs/dbraw/zinc/74/73/46/343747346.db2.gz JYFAYFSYHDTVAM-IONNQARKSA-N 0 3 211.265 0.688 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)COC ZINC000089635010 343748011 /nfs/dbraw/zinc/74/80/11/343748011.db2.gz QFYQDWLMBZUAHG-RKDXNWHRSA-N 0 3 223.338 0.434 20 0 BCADHN CSCCN[C@H](C(N)=O)C(C)(C)C ZINC000089913226 343749332 /nfs/dbraw/zinc/74/93/32/343749332.db2.gz VNDULWUDHPEKPS-SSDOTTSWSA-N 0 3 204.339 0.839 20 0 BCADHN CCN1CCCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000307773950 349855260 /nfs/dbraw/zinc/85/52/60/349855260.db2.gz LQOXYKUYEJKAOE-SECBINFHSA-N 0 3 240.269 0.937 20 0 BCADHN COCc1cc(N2C[C@@H](C)N[C@@H](C)C2)ncn1 ZINC000624407008 343757011 /nfs/dbraw/zinc/75/70/11/343757011.db2.gz RCDSILFEQKVDAR-AOOOYVTPSA-N 0 3 236.319 0.810 20 0 BCADHN CN(CCC1(O)CC1)[C@@H]1CCC(=O)N(C)C1 ZINC000584121838 343762823 /nfs/dbraw/zinc/76/28/23/343762823.db2.gz ZKFYKZQKGDPSPI-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@H](O)CN1CCN(CC2(C)CC2)CC1 ZINC000584149258 343765212 /nfs/dbraw/zinc/76/52/12/343765212.db2.gz TXBBLJLGRMKGIT-NSHDSACASA-N 0 3 212.337 0.785 20 0 BCADHN CC[C@@H]1CCCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC000030142692 343766809 /nfs/dbraw/zinc/76/68/09/343766809.db2.gz PVABGYMEBBKFTD-DTWKUNHWSA-N 0 3 227.308 0.692 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1CCCOC1 ZINC000179217865 346976860 /nfs/dbraw/zinc/97/68/60/346976860.db2.gz OBEJXXVZEMKFQA-SECBINFHSA-N 0 3 215.297 0.026 20 0 BCADHN CN(CCn1ccccc1=O)CC(C)(C)O ZINC000096592951 343796086 /nfs/dbraw/zinc/79/60/86/343796086.db2.gz MURYQTJXLZRLSP-UHFFFAOYSA-N 0 3 224.304 0.551 20 0 BCADHN CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000487819643 529878584 /nfs/dbraw/zinc/87/85/84/529878584.db2.gz JJRSVKGWKATHQY-OUAUKWLOSA-N 0 3 225.336 0.988 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644815171 537817486 /nfs/dbraw/zinc/81/74/86/537817486.db2.gz OTGSWPALSTYCBD-VPOLOUISSA-N 0 3 208.305 0.805 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644815163 537817546 /nfs/dbraw/zinc/81/75/46/537817546.db2.gz OTGSWPALSTYCBD-NAKRPEOUSA-N 0 3 208.305 0.805 20 0 BCADHN CN(CCCCO)C(=O)CC1CCN(C)CC1 ZINC000487298176 529884491 /nfs/dbraw/zinc/88/44/91/529884491.db2.gz AWRFOZJGUGNQDU-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN Cc1nccc(C(=O)N(C)CCN(C)C)n1 ZINC000080399839 537818680 /nfs/dbraw/zinc/81/86/80/537818680.db2.gz WTBOZEJNIIOZRQ-UHFFFAOYSA-N 0 3 222.292 0.419 20 0 BCADHN CC[C@@H](CCO)NCc1cnc(C)n1C ZINC000570463986 323060204 /nfs/dbraw/zinc/06/02/04/323060204.db2.gz JGTIYEPLBKTNIB-JTQLQIEISA-N 0 3 211.309 0.979 20 0 BCADHN CCO[C@H](CN1CCOC[C@H](O)C1)C1CC1 ZINC000625452647 343828432 /nfs/dbraw/zinc/82/84/32/343828432.db2.gz VAEPXSZNMYULPE-VXGBXAGGSA-N 0 3 229.320 0.495 20 0 BCADHN CC(C)N1CC[C@H](N2CC[C@](C)(O)C2)C1=O ZINC000248333256 537826561 /nfs/dbraw/zinc/82/65/61/537826561.db2.gz FQCSDMSGJDTFMA-JQWIXIFHSA-N 0 3 226.320 0.452 20 0 BCADHN CN(CCN(C)C1CC1)C[C@@H]1CN(C)C(=O)O1 ZINC000495592733 529902827 /nfs/dbraw/zinc/90/28/27/529902827.db2.gz ITDOPWMJAIFUGD-LLVKDONJSA-N 0 3 241.335 0.463 20 0 BCADHN CC(C)COC[C@H](O)CN(CCO)C1CC1 ZINC000340586929 187352246 /nfs/dbraw/zinc/35/22/46/187352246.db2.gz HOCAISKXDIZOCL-GFCCVEGCSA-N 0 3 231.336 0.477 20 0 BCADHN CS(=O)(=O)N[C@H]1CCN(C2CCC2)C1 ZINC000179577690 346989801 /nfs/dbraw/zinc/98/98/01/346989801.db2.gz VUDSRFSRRDPTCS-QMMMGPOBSA-N 0 3 218.322 0.162 20 0 BCADHN CNC(=O)OC[C@@H]1CCCCN1CCO ZINC000495639047 529892336 /nfs/dbraw/zinc/89/23/36/529892336.db2.gz IMNVTFWGYSGCOM-VIFPVBQESA-N 0 3 216.281 0.189 20 0 BCADHN CNC(=O)OC[C@H]1CCCCN1CCOC ZINC000495643263 529892668 /nfs/dbraw/zinc/89/26/68/529892668.db2.gz YWIPOPMPZIXZST-SNVBAGLBSA-N 0 3 230.308 0.843 20 0 BCADHN CC[C@@H](C(=O)OC)n1cc([C@@](C)(N)CC)nn1 ZINC000603192577 349883286 /nfs/dbraw/zinc/88/32/86/349883286.db2.gz XIGNSCDLOGDKJF-KWQFWETISA-N 0 3 240.307 0.986 20 0 BCADHN C[C@H]1C[C@H](CO)CN(CCc2cn(C)nn2)C1 ZINC000625477545 343881019 /nfs/dbraw/zinc/88/10/19/343881019.db2.gz GOUWFSRHRNRPSD-QWRGUYRKSA-N 0 3 238.335 0.308 20 0 BCADHN CN(CCN(CCO)CCO)c1ccccc1 ZINC000304877725 529904378 /nfs/dbraw/zinc/90/43/78/529904378.db2.gz KHTLWYNXNXYUPK-UHFFFAOYSA-N 0 3 238.331 0.409 20 0 BCADHN CCCCN(CC)C(=O)NC[C@@H]1CNCCO1 ZINC000418778632 192067600 /nfs/dbraw/zinc/06/76/00/192067600.db2.gz ZZMYUPOOXVDKNK-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN CCO[C@@H](CN1C[C@@H](O)[C@H](OC)C1)C1CC1 ZINC000625460521 343863441 /nfs/dbraw/zinc/86/34/41/343863441.db2.gz FKVJJAPSTNHSFB-GRYCIOLGSA-N 0 3 229.320 0.493 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1C(=O)NC[C@@H]1CNCCO1 ZINC000418770099 192067037 /nfs/dbraw/zinc/06/70/37/192067037.db2.gz QMFNHAIWZKPRDM-MXWKQRLJSA-N 0 3 241.335 0.557 20 0 BCADHN Cn1cc(CCN2C[C@@H]3C[C@H]2CS3)nn1 ZINC000625467810 343872469 /nfs/dbraw/zinc/87/24/69/343872469.db2.gz BXOLAFULSHCISQ-UWVGGRQHSA-N 0 3 224.333 0.547 20 0 BCADHN CN(CCNC(=O)OC1CCOCC1)C1CC1 ZINC000496526330 529916004 /nfs/dbraw/zinc/91/60/04/529916004.db2.gz CLDQOUODXOJCJI-UHFFFAOYSA-N 0 3 242.319 0.986 20 0 BCADHN CC(C)(F)CNC[C@H](O)COC1CCOCC1 ZINC000634723550 343888003 /nfs/dbraw/zinc/88/80/03/343888003.db2.gz XAEFUPWMIHNRNW-JTQLQIEISA-N 0 3 249.326 0.881 20 0 BCADHN CCO[C@@H](CN[C@@H]1COC[C@H]1OC)C1CC1 ZINC000625507939 343899088 /nfs/dbraw/zinc/89/90/88/343899088.db2.gz RAOGDFALIQHTQE-GRYCIOLGSA-N 0 3 229.320 0.805 20 0 BCADHN CCN(CC)CC(=O)N1CC(O)(C(F)F)C1 ZINC000425027841 192067823 /nfs/dbraw/zinc/06/78/23/192067823.db2.gz XJCXJBOHDLCXBN-UHFFFAOYSA-N 0 3 236.262 0.167 20 0 BCADHN O=c1ccccn1CCN1CC[C@H](CO)C1 ZINC000096832980 343906021 /nfs/dbraw/zinc/90/60/21/343906021.db2.gz ADUJHBSHFDBTPZ-NSHDSACASA-N 0 3 222.288 0.163 20 0 BCADHN C[C@@H]1CC[C@@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC000570549287 323062735 /nfs/dbraw/zinc/06/27/35/323062735.db2.gz OFEKZNQTEHKSDK-ZJUUUORDSA-N 0 3 239.319 0.169 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)C[C@@H]1CCCO1 ZINC000042465786 187355272 /nfs/dbraw/zinc/35/52/72/187355272.db2.gz VUPGLSZDXZNQHK-QWRGUYRKSA-N 0 3 228.336 0.997 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@@H]1CCCC(=O)N1 ZINC000683933937 488246309 /nfs/dbraw/zinc/24/63/09/488246309.db2.gz VYRFFCPVARIMDW-JTQLQIEISA-N 0 3 236.319 0.785 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC000068341347 343916125 /nfs/dbraw/zinc/91/61/25/343916125.db2.gz GWDBVFNDXOHXRJ-LLVKDONJSA-N 0 3 236.319 0.436 20 0 BCADHN CC[C@@H](N)c1cn(Cc2cc3n(n2)CCC3)nn1 ZINC000641175857 362253878 /nfs/dbraw/zinc/25/38/78/362253878.db2.gz UCFUEZIYAQWYKF-LLVKDONJSA-N 0 3 246.318 0.879 20 0 BCADHN CCn1nncc1Cn1cc([C@](C)(N)CC)nn1 ZINC000641176486 362253885 /nfs/dbraw/zinc/25/38/85/362253885.db2.gz BXFZCDCHGPDMGL-LLVKDONJSA-N 0 3 249.322 0.522 20 0 BCADHN CC[C@H](N)c1cn(Cc2cc3n(n2)CCC3)nn1 ZINC000641175858 362254131 /nfs/dbraw/zinc/25/41/31/362254131.db2.gz UCFUEZIYAQWYKF-NSHDSACASA-N 0 3 246.318 0.879 20 0 BCADHN Cc1nc([C@@H](C)n2cc(CCN(C)C)nn2)n[nH]1 ZINC000641180117 362255215 /nfs/dbraw/zinc/25/52/15/362255215.db2.gz RNFKVHWVLDIQJJ-MRVPVSSYSA-N 0 3 249.322 0.418 20 0 BCADHN CC[C@@](C)(N)c1cn([C@H](C)c2n[nH]c(C)n2)nn1 ZINC000641178912 362255363 /nfs/dbraw/zinc/25/53/63/362255363.db2.gz DYNDMODHWIKEJT-RDDDGLTNSA-N 0 3 249.322 0.898 20 0 BCADHN O[C@]12C[C@H]1CN(CCOC1CCOCC1)CC2 ZINC000625537846 343924789 /nfs/dbraw/zinc/92/47/89/343924789.db2.gz BTOZGINNYVKVLC-WCQYABFASA-N 0 3 241.331 0.639 20 0 BCADHN CCc1nc([C@@H](C)n2cc([C@@H](N)CC)nn2)n[nH]1 ZINC000641205050 362269501 /nfs/dbraw/zinc/26/95/01/362269501.db2.gz GZRVAVFWZSVILO-SFYZADRCSA-N 0 3 249.322 0.978 20 0 BCADHN CN(C)CCc1cn([C@@H]2CCCC[C@@H]2O)nn1 ZINC000641208906 362270097 /nfs/dbraw/zinc/27/00/97/362270097.db2.gz RBUPRAPZRFFTJS-NEPJUHHUSA-N 0 3 238.335 0.858 20 0 BCADHN CN(C)CCc1cn([C@H]2CCCC[C@@H]2O)nn1 ZINC000641209040 362271128 /nfs/dbraw/zinc/27/11/28/362271128.db2.gz RBUPRAPZRFFTJS-RYUDHWBXSA-N 0 3 238.335 0.858 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H](CO)CC1CC1)N(C)C ZINC000678386145 488249549 /nfs/dbraw/zinc/24/95/49/488249549.db2.gz LZPUYTFCHYENAY-RYUDHWBXSA-N 0 3 242.363 0.850 20 0 BCADHN CC[C@H](N)c1cn(C[C@](C)(O)C(C)=O)nn1 ZINC000641215991 362277942 /nfs/dbraw/zinc/27/79/42/362277942.db2.gz CHCSTIOZZXDTCY-WPRPVWTQSA-N 0 3 226.280 0.028 20 0 BCADHN CC[C@@](C)(N)c1cn(C[C@](C)(O)C(C)=O)nn1 ZINC000641216328 362279699 /nfs/dbraw/zinc/27/96/99/362279699.db2.gz GGLYEUDXYSFXQE-MNOVXSKESA-N 0 3 240.307 0.202 20 0 BCADHN CC[C@](C)(N)c1cn(C[C@@](C)(O)C(C)=O)nn1 ZINC000641216330 362279784 /nfs/dbraw/zinc/27/97/84/362279784.db2.gz GGLYEUDXYSFXQE-WDEREUQCSA-N 0 3 240.307 0.202 20 0 BCADHN CCOCC(=O)N(C)C[C@H]1CCCN1C ZINC000092677267 343961068 /nfs/dbraw/zinc/96/10/68/343961068.db2.gz BZPHSXLWGKRAEJ-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CSC[C@H](O)CN(CC(N)=O)C(C)(C)C ZINC000187947037 259371886 /nfs/dbraw/zinc/37/18/86/259371886.db2.gz KUDANSSGQJSSBI-MRVPVSSYSA-N 0 3 234.365 0.296 20 0 BCADHN CCOC(=O)C[C@@H](O)CN[C@H]1COCC1(C)C ZINC000312993856 343965611 /nfs/dbraw/zinc/96/56/11/343965611.db2.gz PGPLEKZWGCTTBD-ZJUUUORDSA-N 0 3 245.319 0.315 20 0 BCADHN O[C@H]1CN([C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1O ZINC000625713334 344051154 /nfs/dbraw/zinc/05/11/54/344051154.db2.gz ZMFIEDBDIHGCAD-NDBYEHHHSA-N 0 3 219.284 0.580 20 0 BCADHN Cc1nc(C(=O)N(C)CCN2CCCC2)no1 ZINC000123404919 187356764 /nfs/dbraw/zinc/35/67/64/187356764.db2.gz OLIKDTQTZQCUAZ-UHFFFAOYSA-N 0 3 238.291 0.546 20 0 BCADHN CCOC(=O)[C@H](NC(=O)[C@H](N)CC)[C@@H](C)CC ZINC000130092096 344111512 /nfs/dbraw/zinc/11/15/12/344111512.db2.gz YISGLSMEHFIWLZ-IVZWLZJFSA-N 0 3 244.335 0.818 20 0 BCADHN C[C@@H](N)C(=O)NCc1n[nH]cc1Br ZINC000306321180 344116145 /nfs/dbraw/zinc/11/61/45/344116145.db2.gz TYKRKFUQIVOQPR-SCSAIBSYSA-N 0 3 247.096 0.136 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N2CCCO2)CCN1C ZINC000335905872 344084049 /nfs/dbraw/zinc/08/40/49/344084049.db2.gz ALGNYRYJSFFPRZ-NXEZZACHSA-N 0 3 227.308 0.816 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N2CCCO2)CCN1C ZINC000335905875 344084286 /nfs/dbraw/zinc/08/42/86/344084286.db2.gz ALGNYRYJSFFPRZ-ZJUUUORDSA-N 0 3 227.308 0.816 20 0 BCADHN CC(C)CN(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000335912726 344085045 /nfs/dbraw/zinc/08/50/45/344085045.db2.gz ZHNBTFQNINGDCU-JTQLQIEISA-N 0 3 234.365 0.608 20 0 BCADHN CN(CCNC(=O)C12CC(C1)C2)C1CC1 ZINC000624597895 344085510 /nfs/dbraw/zinc/08/55/10/344085510.db2.gz ZGASEOCJLGJVMN-UHFFFAOYSA-N 0 3 208.305 0.997 20 0 BCADHN CC[C@H]1COCCN1C(=O)C(C)S(C)(=O)=O ZINC000115306686 347027179 /nfs/dbraw/zinc/02/71/79/347027179.db2.gz RQAOZAXHLAAJEW-IUCAKERBSA-N 0 3 249.332 0.057 20 0 BCADHN CN1CC[C@@H]2OCCN(CC(F)(F)F)[C@@H]2C1 ZINC000335917222 344086207 /nfs/dbraw/zinc/08/62/07/344086207.db2.gz HDMIHTFYXGJLCG-BDAKNGLRSA-N 0 3 238.253 0.954 20 0 BCADHN CSC[C@H](O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000603260612 349902202 /nfs/dbraw/zinc/90/22/02/349902202.db2.gz OUYHSDZYLACMTN-PSASIEDQSA-N 0 3 244.364 0.658 20 0 BCADHN CNC(=O)CN[C@]1(CO)CCCC(C)(C)C1 ZINC000625835036 344088757 /nfs/dbraw/zinc/08/87/57/344088757.db2.gz RSVFAQMFLRUOGJ-GFCCVEGCSA-N 0 3 228.336 0.653 20 0 BCADHN CCNC(=O)NC(=O)CN1CCCC[C@H](C)C1 ZINC000187973626 259372732 /nfs/dbraw/zinc/37/27/32/259372732.db2.gz XMJMVTBGVRBMBR-JTQLQIEISA-N 0 3 241.335 0.954 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000129945201 344095587 /nfs/dbraw/zinc/09/55/87/344095587.db2.gz KKGBMXAYFQXKQK-JLIMGVALSA-N 0 3 226.320 0.653 20 0 BCADHN COc1ccc(CNC[C@H](O)CO)cc1Cl ZINC000085247566 187285851 /nfs/dbraw/zinc/28/58/51/187285851.db2.gz BBPVZMLFMMONLB-VIFPVBQESA-N 0 3 245.706 0.791 20 0 BCADHN C[C@@H]1CCN(Cc2ccnc(N)c2)C[C@H]1O ZINC000299911520 344138682 /nfs/dbraw/zinc/13/86/82/344138682.db2.gz NBLXNMJYCZJIEV-MWLCHTKSSA-N 0 3 221.304 0.867 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000634739037 344152480 /nfs/dbraw/zinc/15/24/80/344152480.db2.gz HMMKLJMSHKMMPY-HBNTYKKESA-N 0 3 238.331 0.764 20 0 BCADHN Cc1ncc(CN2C[C@@H]3COC[C@@H]3C2)cn1 ZINC000634747110 344177653 /nfs/dbraw/zinc/17/76/53/344177653.db2.gz YAGJTGKPZUVKNF-TXEJJXNPSA-N 0 3 219.288 0.863 20 0 BCADHN CN(C)CCNc1ncnc2c1ncn2C ZINC000309962507 344153624 /nfs/dbraw/zinc/15/36/24/344153624.db2.gz LYQRQNYHBZJDFK-UHFFFAOYSA-N 0 3 220.280 0.337 20 0 BCADHN C[C@@H](CO)CN(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000684003010 488254789 /nfs/dbraw/zinc/25/47/89/488254789.db2.gz DVGQYZQKOFNDPK-UPJWGTAASA-N 0 3 244.379 0.656 20 0 BCADHN COCCN(C)CCNC[C@H](O)C(F)(F)F ZINC000082681154 344161839 /nfs/dbraw/zinc/16/18/39/344161839.db2.gz VOLKECALDHCALE-QMMMGPOBSA-N 0 3 244.257 0.077 20 0 BCADHN O=C(CNC1CC1)N1CCOCC(F)(F)C1 ZINC000634740260 344162003 /nfs/dbraw/zinc/16/20/03/344162003.db2.gz SRROMZUDSSDLDW-UHFFFAOYSA-N 0 3 234.246 0.233 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCOCC(F)(F)C1 ZINC000634739729 344162229 /nfs/dbraw/zinc/16/22/29/344162229.db2.gz DNLAASAYXKZYRF-MRVPVSSYSA-N 0 3 236.262 0.464 20 0 BCADHN CCC(CC)[C@H](O)CNC(=O)[C@H](N)CC ZINC000129833657 344216193 /nfs/dbraw/zinc/21/61/93/344216193.db2.gz JMLPWRXLIORQBC-NXEZZACHSA-N 0 3 216.325 0.637 20 0 BCADHN CC(=O)CCC(=O)N[C@@H](C)CN(C)C ZINC000130403343 344220498 /nfs/dbraw/zinc/22/04/98/344220498.db2.gz CXKXIAHCQCOTAA-QMMMGPOBSA-N 0 3 200.282 0.422 20 0 BCADHN CC[C@@H](N)C(=O)N(C)Cc1nccs1 ZINC000130546177 344223187 /nfs/dbraw/zinc/22/31/87/344223187.db2.gz WQUVGQMBXLDMIP-SSDOTTSWSA-N 0 3 213.306 0.839 20 0 BCADHN C[C@H](O)CN1CCO[C@@H](C(F)F)CC1 ZINC000634758071 344224349 /nfs/dbraw/zinc/22/43/49/344224349.db2.gz HLJIBZSQSJXTCM-JGVFFNPUSA-N 0 3 209.236 0.723 20 0 BCADHN COCCN(C)CCNC(=O)C=C1CCC1 ZINC000087259159 344231297 /nfs/dbraw/zinc/23/12/97/344231297.db2.gz ABXHLDOAGWWXMS-UHFFFAOYSA-N 0 3 226.320 0.791 20 0 BCADHN CN(C)C(=O)[C@@H]1CCCN1C[C@H]1CCCN1C ZINC000625867048 344237832 /nfs/dbraw/zinc/23/78/32/344237832.db2.gz VCWVNNHYLMTXQJ-NEPJUHHUSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C(=O)CNC1CC1 ZINC000157530004 344191140 /nfs/dbraw/zinc/19/11/40/344191140.db2.gz ITLBRWJRFSGXPW-BDAKNGLRSA-N 0 3 212.293 0.374 20 0 BCADHN COC[C@H](O)CN1CCO[C@H](C(F)F)CC1 ZINC000634752255 344204355 /nfs/dbraw/zinc/20/43/55/344204355.db2.gz IMWPEGAYFXIZHY-BDAKNGLRSA-N 0 3 239.262 0.350 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000634752670 344204904 /nfs/dbraw/zinc/20/49/04/344204904.db2.gz QJAHERSKWZRMBU-SFYZADRCSA-N 0 3 236.262 0.606 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000634752779 344205297 /nfs/dbraw/zinc/20/52/97/344205297.db2.gz SICVWJHGVGNOAD-RQJHMYQMSA-N 0 3 222.235 0.216 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCCO[C@@H]1CCOC1 ZINC000236744706 187289858 /nfs/dbraw/zinc/28/98/58/187289858.db2.gz WKBXSFZCFNUDRK-MNOVXSKESA-N 0 3 244.335 0.282 20 0 BCADHN Cc1cc(NC(=O)C[C@H]2CSCCN2)n[nH]1 ZINC000085614467 344206979 /nfs/dbraw/zinc/20/69/79/344206979.db2.gz BVQVXYQXGCSWAB-QMMMGPOBSA-N 0 3 240.332 0.752 20 0 BCADHN CCOC[C@H](C)NC[C@H]1CN(C2CC2)CCO1 ZINC000089682689 344254056 /nfs/dbraw/zinc/25/40/56/344254056.db2.gz WVTHDOKBKIPYQL-AAEUAGOBSA-N 0 3 242.363 0.864 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N2CCOCC2)CCN1C ZINC000135395595 344254804 /nfs/dbraw/zinc/25/48/04/344254804.db2.gz HNRDIUSPFNAQFD-MNOVXSKESA-N 0 3 241.335 0.511 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cnccn2)CCN1C ZINC000408222532 344260824 /nfs/dbraw/zinc/26/08/24/344260824.db2.gz AYXPCAOTSVXFPY-UWVGGRQHSA-N 0 3 234.303 0.689 20 0 BCADHN CN(CCN1CCCC1)c1cc(C(N)=O)ncn1 ZINC000641344283 362372770 /nfs/dbraw/zinc/37/27/70/362372770.db2.gz OGPKOCZBWAQYEX-UHFFFAOYSA-N 0 3 249.318 0.108 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)CCCCO)CN1C1CC1 ZINC000678478057 488257241 /nfs/dbraw/zinc/25/72/41/488257241.db2.gz RLXRBMYUNNOIRL-WDEREUQCSA-N 0 3 240.347 0.890 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000236804402 187290190 /nfs/dbraw/zinc/29/01/90/187290190.db2.gz DTDRNJIGRFVTCQ-BBBLOLIVSA-N 0 3 226.320 0.798 20 0 BCADHN CN1C[C@@H]2CN(C(=O)[C@@H]3CCC(=O)C3)C[C@@H]2C1 ZINC000573494446 344281582 /nfs/dbraw/zinc/28/15/82/344281582.db2.gz RZYNWHOQASWMSU-MXWKQRLJSA-N 0 3 236.315 0.376 20 0 BCADHN Cc1nn(C)c(C)c1CNC(=O)CNC1CC1 ZINC000092329053 344293336 /nfs/dbraw/zinc/29/33/36/344293336.db2.gz NWYMAFODRLBLBL-UHFFFAOYSA-N 0 3 236.319 0.405 20 0 BCADHN NC1(C(=O)N2C[C@@H]3COC[C@@H]3C2)CCCC1 ZINC000634774038 344294041 /nfs/dbraw/zinc/29/40/41/344294041.db2.gz ASENLKIURXUQHX-AOOOYVTPSA-N 0 3 224.304 0.363 20 0 BCADHN NC(=O)[C@@H]1CCCN1CCC[C@@H]1CCOC1 ZINC000625869343 344242045 /nfs/dbraw/zinc/24/20/45/344242045.db2.gz IJELLXWZLCVWFE-MNOVXSKESA-N 0 3 226.320 0.753 20 0 BCADHN C[C@H]1C[C@H](CN2CCC[C@H]2C(N)=O)CCO1 ZINC000625869693 344242975 /nfs/dbraw/zinc/24/29/75/344242975.db2.gz BXXKPLKMPQLBGE-AXFHLTTASA-N 0 3 226.320 0.751 20 0 BCADHN NC(=O)[C@@H](c1ccccc1)N1C[C@@H]2COC[C@@H]2C1 ZINC000634780903 344321599 /nfs/dbraw/zinc/32/15/99/344321599.db2.gz BQMVDNDYUPNKIM-FRRDWIJNSA-N 0 3 246.310 0.791 20 0 BCADHN CCN(C)C(=O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634781606 344322963 /nfs/dbraw/zinc/32/29/63/344322963.db2.gz HSDJYNIFZHVZBS-AOOOYVTPSA-N 0 3 212.293 0.043 20 0 BCADHN CN(C[C@H]1CN(C)C(=O)O1)[C@@H]1CCCC[C@H]1O ZINC000495727618 529972320 /nfs/dbraw/zinc/97/23/20/529972320.db2.gz JYXJMFBAMFESOH-HBNTYKKESA-N 0 3 242.319 0.672 20 0 BCADHN CN(C[C@H]1CN(C)C(=O)O1)C1CCOCC1 ZINC000496777708 529972412 /nfs/dbraw/zinc/97/24/12/529972412.db2.gz NEZGKGQUUCAJPX-JTQLQIEISA-N 0 3 228.292 0.548 20 0 BCADHN CN1CCC[C@@H]1CNCc1csnn1 ZINC000132624954 344304050 /nfs/dbraw/zinc/30/40/50/344304050.db2.gz VVNWXZXDLMRMTF-SECBINFHSA-N 0 3 212.322 0.722 20 0 BCADHN c1cnc(CCN2C[C@@H]3COC[C@@H]3C2)cn1 ZINC000634779028 344307434 /nfs/dbraw/zinc/30/74/34/344307434.db2.gz ZLGDPQNUEGGATB-PHIMTYICSA-N 0 3 219.288 0.597 20 0 BCADHN [NH3+]CCCCNC(=O)c1ccccc1[O-] ZINC000016449323 344309232 /nfs/dbraw/zinc/30/92/32/344309232.db2.gz JYYZTWIRORWICH-UHFFFAOYSA-N 0 3 208.261 0.861 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1COCCO1)N1CCCC1 ZINC000042509926 344436935 /nfs/dbraw/zinc/43/69/35/344436935.db2.gz RGCVHBINYGZMFL-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN Cc1ccc(OCCNC(=O)CN)c(C)c1 ZINC000041240587 344430575 /nfs/dbraw/zinc/43/05/75/344430575.db2.gz NYHLJFLFNXRBLH-UHFFFAOYSA-N 0 3 222.288 0.757 20 0 BCADHN CC[C@@H](C)[C@@H]1CN(CCO)CCN1CCO ZINC000147831497 344373857 /nfs/dbraw/zinc/37/38/57/344373857.db2.gz HCUHQHITVVRONL-NEPJUHHUSA-N 0 3 230.352 0.003 20 0 BCADHN CCN1CCN([C@@H]2CCN(CCOC)C2)CC1 ZINC000107368985 347050433 /nfs/dbraw/zinc/05/04/33/347050433.db2.gz CATKFOYMADXSHM-CYBMUJFWSA-N 0 3 241.379 0.345 20 0 BCADHN C[C@@H]1CN(c2ncnc3c2OCCN3)CCN1 ZINC000634807308 344392381 /nfs/dbraw/zinc/39/23/81/344392381.db2.gz GIUNENAGIMPKRJ-MRVPVSSYSA-N 0 3 235.291 0.079 20 0 BCADHN CCc1cc(N2CC[C@@H](F)[C@H](N)C2)ncn1 ZINC000634812690 344397020 /nfs/dbraw/zinc/39/70/20/344397020.db2.gz PBVQJTFCTVJCPC-NXEZZACHSA-N 0 3 224.283 0.915 20 0 BCADHN COCc1cc(N2CC[C@@H](F)[C@H](N)C2)ncn1 ZINC000634812923 344397580 /nfs/dbraw/zinc/39/75/80/344397580.db2.gz USWNCTOMGHYDHP-NXEZZACHSA-N 0 3 240.282 0.499 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCC(=O)OC ZINC000040859740 344408563 /nfs/dbraw/zinc/40/85/63/344408563.db2.gz IXITYAMEVUZKAY-MRVPVSSYSA-N 0 3 216.281 0.183 20 0 BCADHN CN(Cc1cnn(C)c1)C(=O)C(C)(C)N 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/nfs/dbraw/zinc/45/61/76/344456176.db2.gz OFIWTVFLTRWQNT-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN CC[C@@H]1CCCCN1CCNS(C)(=O)=O ZINC000107297355 344481215 /nfs/dbraw/zinc/48/12/15/344481215.db2.gz VTEBTQJLXKUMIP-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN Cc1n[nH]cc1CN[C@H](C)Cn1cncn1 ZINC000381299580 344493634 /nfs/dbraw/zinc/49/36/34/344493634.db2.gz HRZGOAVFUNYDKY-MRVPVSSYSA-N 0 3 220.280 0.488 20 0 BCADHN C[C@H]1C[C@@H](Nc2cc(C(N)=O)ncn2)CCN1C ZINC000641395532 362395108 /nfs/dbraw/zinc/39/51/08/362395108.db2.gz DXWFBYFREQCXDU-IUCAKERBSA-N 0 3 249.318 0.470 20 0 BCADHN CN(Cc1cc[nH]n1)C(=O)[C@@H](N)C(C)(C)C ZINC000400047005 529981847 /nfs/dbraw/zinc/98/18/47/529981847.db2.gz UASWDLAVGAZJGS-SECBINFHSA-N 0 3 224.308 0.742 20 0 BCADHN CCO[C@H]1CCCN(C[C@H](O)COC)C1 ZINC000068891162 344511879 /nfs/dbraw/zinc/51/18/79/344511879.db2.gz GMCKBYJGGUYBJE-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN CCN1CCN(CCC[C@@H](C)O)CC1 ZINC000045618980 344573327 /nfs/dbraw/zinc/57/33/27/344573327.db2.gz 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ZINC000037823433 344593636 /nfs/dbraw/zinc/59/36/36/344593636.db2.gz PZLXSAUXTRQNPH-UWVGGRQHSA-N 0 3 242.319 0.396 20 0 BCADHN FC(F)[C@H]1CNCCN1C[C@H]1CCCOC1 ZINC000577751566 344596215 /nfs/dbraw/zinc/59/62/15/344596215.db2.gz KNWPYQCYSTXZPX-NXEZZACHSA-N 0 3 234.290 0.952 20 0 BCADHN FC(F)[C@@H]1CNCCN1C[C@H]1CCCOC1 ZINC000577751569 344596266 /nfs/dbraw/zinc/59/62/66/344596266.db2.gz KNWPYQCYSTXZPX-ZJUUUORDSA-N 0 3 234.290 0.952 20 0 BCADHN O=C(NCCN1CCCCC1)[C@@H]1COCCO1 ZINC000046856472 344579424 /nfs/dbraw/zinc/57/94/24/344579424.db2.gz KARFQPRNEZIJIH-NSHDSACASA-N 0 3 242.319 0.004 20 0 BCADHN COC1CC(C(=O)NCCN2CC[C@H](C)C2)C1 ZINC000625960178 344598864 /nfs/dbraw/zinc/59/88/64/344598864.db2.gz UYVQVFJPGVEISN-UNXYVOJBSA-N 0 3 240.347 0.869 20 0 BCADHN CN(C)CCSc1cc(C(N)=O)ncn1 ZINC000641429157 362413056 /nfs/dbraw/zinc/41/30/56/362413056.db2.gz SGMCAARWGQEFIS-UHFFFAOYSA-N 0 3 226.305 0.229 20 0 BCADHN COCCN(C)C(=O)[C@@H](N)C(C)(C)C ZINC000048501601 344588106 /nfs/dbraw/zinc/58/81/06/344588106.db2.gz UMJPYSCYLRFWRK-MRVPVSSYSA-N 0 3 202.298 0.465 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626011613 344670379 /nfs/dbraw/zinc/67/03/79/344670379.db2.gz RBFOYTGFRHEAIZ-GMXVVIOVSA-N 0 3 240.347 0.558 20 0 BCADHN OC[C@]12CCC[C@H]1CN(Cc1c[nH]nn1)C2 ZINC000626015491 344671254 /nfs/dbraw/zinc/67/12/54/344671254.db2.gz XMRUCOCXGHYZNF-GXSJLCMTSA-N 0 3 222.292 0.399 20 0 BCADHN C[C@]1(CO)CN([C@@H]2CCCOC2)C[C@@]1(C)CO ZINC000625973333 344629989 /nfs/dbraw/zinc/62/99/89/344629989.db2.gz ZWVZCOXLLUTBDY-UPJWGTAASA-N 0 3 243.347 0.478 20 0 BCADHN O=C1NCCCC[C@H]1N1CCC[C@H](CO)C1 ZINC000010036307 347064166 /nfs/dbraw/zinc/06/41/66/347064166.db2.gz ZYJALZVLFZZMLM-WDEREUQCSA-N 0 3 226.320 0.359 20 0 BCADHN CCCNC(=O)CN[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000625973550 344640358 /nfs/dbraw/zinc/64/03/58/344640358.db2.gz CMYKHDMSACPCMX-WDCWCFNPSA-N 0 3 228.336 0.914 20 0 BCADHN NC(=O)C[C@@H]1CN(C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000626075273 344721418 /nfs/dbraw/zinc/72/14/18/344721418.db2.gz DERFNRXPHDXRML-WRWGMCAJSA-N 0 3 238.331 0.609 20 0 BCADHN CC[C@H](C)CN1CCO[C@@H](CC(N)=O)C1 ZINC000626077689 344722530 /nfs/dbraw/zinc/72/25/30/344722530.db2.gz PBBWSZDQZJOYHZ-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN CC(C)CN1CCO[C@@H](CC(N)=O)C1 ZINC000626082252 344727076 /nfs/dbraw/zinc/72/70/76/344727076.db2.gz UWPQNMZYOBTWCN-VIFPVBQESA-N 0 3 200.282 0.219 20 0 BCADHN Cc1nccc(C(=O)NCCN(C)C)n1 ZINC000082303020 344729403 /nfs/dbraw/zinc/72/94/03/344729403.db2.gz KNJPNKHPSDJAET-UHFFFAOYSA-N 0 3 208.265 0.076 20 0 BCADHN CCN1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000082304296 344730366 /nfs/dbraw/zinc/73/03/66/344730366.db2.gz WJRNMEMGFWZSGQ-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CCC[C@@H](O)CN1CCN(CC)CC1 ZINC000050193117 344730902 /nfs/dbraw/zinc/73/09/02/344730902.db2.gz NPGZZDMMFVUDOF-LLVKDONJSA-N 0 3 200.326 0.785 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@@H]1CCCN(C)C1=O ZINC000390002610 344738606 /nfs/dbraw/zinc/73/86/06/344738606.db2.gz 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PTYCPCQTPJCKLG-GMTAPVOTSA-N 0 3 226.320 0.751 20 0 BCADHN CC[C@@H]1C[C@H](C)CN1CC(=O)NC(N)=O ZINC000075022981 344762420 /nfs/dbraw/zinc/76/24/20/344762420.db2.gz GKINQQZCFYGKGJ-JGVFFNPUSA-N 0 3 213.281 0.302 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1CC[C@H]1O)N(C)C1CC1 ZINC000425661643 192075817 /nfs/dbraw/zinc/07/58/17/192075817.db2.gz HPJWKSCSEQZDNR-JMJZKYOTSA-N 0 3 241.335 0.292 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)CCCCO ZINC000349907367 192075876 /nfs/dbraw/zinc/07/58/76/192075876.db2.gz HZTXETVUCNWBCM-SECBINFHSA-N 0 3 202.298 0.167 20 0 BCADHN CN1CCN(C(=O)/C=C\C2CC2)[C@H](CN)C1 ZINC000493352548 530065970 /nfs/dbraw/zinc/06/59/70/530065970.db2.gz MXMKQALNXQQPIZ-DOGVGXBMSA-N 0 3 223.320 0.054 20 0 BCADHN CCNC(=O)CCC(=O)NC[C@@H]1CCCN1C ZINC000603302663 349916366 /nfs/dbraw/zinc/91/63/66/349916366.db2.gz VYGLEQNJAQPTBB-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CNC(=O)CN1CC[C@H]2OCCC[C@@H]2C1 ZINC000153115697 344753537 /nfs/dbraw/zinc/75/35/37/344753537.db2.gz BCFIKKJCHZSHKV-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN CN1CCC[C@@H](CNC(=O)C=Cc2c[nH]cn2)C1 ZINC000492812986 530055101 /nfs/dbraw/zinc/05/51/01/530055101.db2.gz OEIHGVQKGLSAEX-WYGGZMRJSA-N 0 3 248.330 0.881 20 0 BCADHN CN(C)S(=O)(=O)NCCCN1CCCCC1 ZINC000075656758 344783408 /nfs/dbraw/zinc/78/34/08/344783408.db2.gz JAIRXXYWNODYBW-UHFFFAOYSA-N 0 3 249.380 0.258 20 0 BCADHN CCOCCCN1CCN([C@H](CC)CO)CC1 ZINC000075960695 344788747 /nfs/dbraw/zinc/78/87/47/344788747.db2.gz RORUPPXFSQPBHR-CYBMUJFWSA-N 0 3 244.379 0.802 20 0 BCADHN C[C@H]1CN(CCNS(C)(=O)=O)C[C@@H]1C ZINC000076110961 344794903 /nfs/dbraw/zinc/79/49/03/344794903.db2.gz FKYYXWFFPCLMIX-IUCAKERBSA-N 0 3 220.338 0.123 20 0 BCADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC000076110962 344794915 /nfs/dbraw/zinc/79/49/15/344794915.db2.gz FKYYXWFFPCLMIX-RKDXNWHRSA-N 0 3 220.338 0.123 20 0 BCADHN C[C@H]1CN(CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC000076110562 344795055 /nfs/dbraw/zinc/79/50/55/344795055.db2.gz FXFVOJMQWXSUMH-TUAOUCFPSA-N 0 3 240.347 0.869 20 0 BCADHN 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345111473 /nfs/dbraw/zinc/11/14/73/345111473.db2.gz HQWCHFFJEPSNTJ-SNVBAGLBSA-N 0 3 248.392 0.952 20 0 BCADHN CN(C)C1(CNc2nccnc2C(N)=O)CC1 ZINC000641638074 362565942 /nfs/dbraw/zinc/56/59/42/362565942.db2.gz PPSNRBUQRWSIPH-UHFFFAOYSA-N 0 3 235.291 0.082 20 0 BCADHN CC(C(=O)NC[C@H]1CC[C@@H](C)C1)S(C)(=O)=O ZINC000408325036 345161749 /nfs/dbraw/zinc/16/17/49/345161749.db2.gz VFQVRZXOZZBLKS-BBBLOLIVSA-N 0 3 247.360 0.972 20 0 BCADHN CN(C)CCNC(=O)N[C@H]1C=CCCC1 ZINC000133869659 345168284 /nfs/dbraw/zinc/16/82/84/345168284.db2.gz RHQNYTQJYKMELJ-JTQLQIEISA-N 0 3 211.309 0.956 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@](C)(C(N)=O)C1)N(C)C ZINC000408327702 345173962 /nfs/dbraw/zinc/17/39/62/345173962.db2.gz UNLIQJRWCLXWNI-JOYOIKCWSA-N 0 3 241.335 0.051 20 0 BCADHN COCCCCCNC(=O)[C@H](N)CCSC ZINC000156101838 345125201 /nfs/dbraw/zinc/12/52/01/345125201.db2.gz GZAJBEYGYSKFLI-SNVBAGLBSA-N 0 3 248.392 1.000 20 0 BCADHN OCC(CO)NCc1cccc2ncccc12 ZINC000634965052 345140624 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249.318 0.438 20 0 BCADHN O=C(NCc1nnc[nH]1)[C@@H]1CCN1C1CCCC1 ZINC000635417519 345356950 /nfs/dbraw/zinc/35/69/50/345356950.db2.gz ISZMQRTUNHZTOU-JTQLQIEISA-N 0 3 249.318 0.438 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1C[C@@H](O)C1 ZINC000635421343 345361239 /nfs/dbraw/zinc/36/12/39/345361239.db2.gz FKIWQFIHSHNSNW-KKZNHRDASA-N 0 3 224.304 0.110 20 0 BCADHN CO[C@H](C)C(=O)NC[C@H](C)N1CCCC1 ZINC000168625094 345362640 /nfs/dbraw/zinc/36/26/40/345362640.db2.gz KFCBRIUUBCIWPM-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN O=C([C@H]1C[C@@H](O)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000635479492 345389072 /nfs/dbraw/zinc/38/90/72/345389072.db2.gz IXLLTJWKQNLZGU-UTUOFQBUSA-N 0 3 238.331 0.454 20 0 BCADHN CSC[C@H](C)NC(=O)C[C@H]1CSCCN1 ZINC000158725410 345370642 /nfs/dbraw/zinc/37/06/42/345370642.db2.gz RSSMWYFSWSGBJQ-IUCAKERBSA-N 0 3 248.417 0.949 20 0 BCADHN Cn1cncc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000562400016 345378183 /nfs/dbraw/zinc/37/81/83/345378183.db2.gz GLRACKNLLXHIPE-NSHDSACASA-N 0 3 248.330 0.730 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CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635506372 345405490 /nfs/dbraw/zinc/40/54/90/345405490.db2.gz BPTZWZPILAHODA-HBNTYKKESA-N 0 3 248.330 0.724 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@@H](C)CCO)N(C)C ZINC000159164752 345414004 /nfs/dbraw/zinc/41/40/04/345414004.db2.gz RSIGQIOTINHTCE-QWRGUYRKSA-N 0 3 230.352 0.707 20 0 BCADHN CC[C@H](C)C(=O)NCC1(O)CCN(C)CC1 ZINC000080880480 345453211 /nfs/dbraw/zinc/45/32/11/345453211.db2.gz IRUQXGAZFYKOTN-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CCCC(=O)NCC1(O)CCN(C)CC1 ZINC000080882152 345453360 /nfs/dbraw/zinc/45/33/60/345453360.db2.gz JTPXIRARQCMFLA-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCC(N)=O)C1 ZINC000080898695 345453594 /nfs/dbraw/zinc/45/35/94/345453594.db2.gz OLCSOTSNGSEDLS-SKDRFNHKSA-N 0 3 228.336 0.639 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@H]1C[C@@H](C)O ZINC000159361795 345425328 /nfs/dbraw/zinc/42/53/28/345425328.db2.gz QNZPWXJCQPYHLP-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN COC(=O)c1ccc(N(C)CCN(C)C)nn1 ZINC000080684635 345430436 /nfs/dbraw/zinc/43/04/36/345430436.db2.gz JRYIRCRTBZSGAU-UHFFFAOYSA-N 0 3 238.291 0.261 20 0 BCADHN O=C(NCCNC[C@@H](O)C(F)(F)F)C1CC1 ZINC000135156607 345434573 /nfs/dbraw/zinc/43/45/73/345434573.db2.gz NKPUOBLJGKMZJF-SSDOTTSWSA-N 0 3 240.225 0.025 20 0 BCADHN C[C@@H](CCCO)NC(=O)[C@@]1(C)CCCCN1 ZINC000159583071 345442810 /nfs/dbraw/zinc/44/28/10/345442810.db2.gz RWFDYYGGRSDFTK-CMPLNLGQSA-N 0 3 228.336 0.796 20 0 BCADHN Cn1nccc1NC(=O)[C@@]1(C)CCCCN1 ZINC000159563224 345442816 /nfs/dbraw/zinc/44/28/16/345442816.db2.gz FZKZIEXRLMUQIL-LLVKDONJSA-N 0 3 222.292 0.891 20 0 BCADHN COC[C@H](C)CNC(=O)[C@]1(C)CCCCN1 ZINC000159575128 345443370 /nfs/dbraw/zinc/44/33/70/345443370.db2.gz OYDKFQKOLWICAG-PWSUYJOCSA-N 0 3 228.336 0.917 20 0 BCADHN COC(=O)[C@H](C)NC(=O)[C@]1(C)CCCCN1 ZINC000159568510 345443864 /nfs/dbraw/zinc/44/38/64/345443864.db2.gz HQEATMIUQPABOM-KWQFWETISA-N 0 3 228.292 0.196 20 0 BCADHN CN(C)c1ccc(NC(=O)C2(N)CC2)nc1 ZINC000166006244 187303245 /nfs/dbraw/zinc/30/32/45/187303245.db2.gz LJNMQUNEBFVGBW-UHFFFAOYSA-N 0 3 220.276 0.577 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000080961794 345455424 /nfs/dbraw/zinc/45/54/24/345455424.db2.gz DXZBIPQQZQBSHQ-VHSXEESVSA-N 0 3 236.319 0.853 20 0 BCADHN CC(C)N1CCCN(C(=O)[C@@H](C)N(C)C)CC1 ZINC000635486564 345394665 /nfs/dbraw/zinc/39/46/65/345394665.db2.gz BZWCGJHCAHWQJR-GFCCVEGCSA-N 0 3 241.379 0.879 20 0 BCADHN Cc1nc[nH]c1C(=O)N(C)CCN1CCCC1 ZINC000635496621 345399039 /nfs/dbraw/zinc/39/90/39/345399039.db2.gz GSEOCDSVSZYZCW-UHFFFAOYSA-N 0 3 236.319 0.886 20 0 BCADHN CC[C@@H](CCO)NC(=O)[C@@H](C(C)C)N(C)C ZINC000159009372 345401659 /nfs/dbraw/zinc/40/16/59/345401659.db2.gz HRLLPGPFNUSWNI-WDEREUQCSA-N 0 3 230.352 0.850 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000562829700 345510598 /nfs/dbraw/zinc/51/05/98/345510598.db2.gz UXDKCVLAUCEYKH-BDAKNGLRSA-N 0 3 243.351 0.343 20 0 BCADHN Cc1ncc(NC(=O)[C@@H](N)C(C)C)cn1 ZINC000082247939 345498563 /nfs/dbraw/zinc/49/85/63/345498563.db2.gz LFFWWWKTNOSMQS-VIFPVBQESA-N 0 3 208.265 0.707 20 0 BCADHN C[C@H](C(=O)N[C@H]1CCN(CC2CC2)C1)N(C)C ZINC000635538213 345506453 /nfs/dbraw/zinc/50/64/53/345506453.db2.gz IZSGPIXOEIMBKT-PWSUYJOCSA-N 0 3 239.363 0.537 20 0 BCADHN CCO[N-]C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000081127936 345463453 /nfs/dbraw/zinc/46/34/53/345463453.db2.gz OHAXAEGLDIAWGA-VHSXEESVSA-N 0 3 212.293 0.929 20 0 BCADHN CCO[N-]C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081127936 345463454 /nfs/dbraw/zinc/46/34/54/345463454.db2.gz OHAXAEGLDIAWGA-VHSXEESVSA-N 0 3 212.293 0.929 20 0 BCADHN CC(=O)NCCCNCc1ncc(C)n1C ZINC000336655467 187305408 /nfs/dbraw/zinc/30/54/08/187305408.db2.gz HJSOQXKCXLITHC-UHFFFAOYSA-N 0 3 224.308 0.344 20 0 BCADHN CO[C@@H](C)CN(C)C[C@@H](O)CSC ZINC000336659690 187305758 /nfs/dbraw/zinc/30/57/58/187305758.db2.gz TZEWJELSMXPGNA-DTWKUNHWSA-N 0 3 207.339 0.677 20 0 BCADHN CC(=O)N1CCCN(CCC[C@@H](C)O)CC1 ZINC000336655673 187305777 /nfs/dbraw/zinc/30/57/77/187305777.db2.gz KYQSUMVXYKFNFT-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN C=Cn1cc(CNC2(CO)CCC2)cn1 ZINC000194355968 192089220 /nfs/dbraw/zinc/08/92/20/192089220.db2.gz PWFSXXDVKMLMHM-UHFFFAOYSA-N 0 3 207.277 0.988 20 0 BCADHN CCN(C[C@H]1CCCO1)CC1(CO)COC1 ZINC000089127756 345548046 /nfs/dbraw/zinc/54/80/46/345548046.db2.gz OWOOQDADNXEHMJ-LLVKDONJSA-N 0 3 229.320 0.496 20 0 BCADHN CN(C)CCNc1nnc(Cl)cc1C(N)=O ZINC000090998373 345579421 /nfs/dbraw/zinc/57/94/21/345579421.db2.gz LTSMVTZQSPSIOM-UHFFFAOYSA-N 0 3 243.698 0.202 20 0 BCADHN Cc1nc2ncnn2c(NCCN(C)C)c1C ZINC000090998376 345579423 /nfs/dbraw/zinc/57/94/23/345579423.db2.gz GVSPTCLVFUZJJA-UHFFFAOYSA-N 0 3 234.307 0.715 20 0 BCADHN O=C(C1CC(=O)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000136863649 345556491 /nfs/dbraw/zinc/55/64/91/345556491.db2.gz SSAPSTQDVHJSNB-LLVKDONJSA-N 0 3 236.315 0.662 20 0 BCADHN COC[C@@H](O)CNCc1cccc(C)n1 ZINC000068891987 349930889 /nfs/dbraw/zinc/93/08/89/349930889.db2.gz UNIDTMJOMHMGQG-NSHDSACASA-N 0 3 210.277 0.487 20 0 BCADHN CCC(CC)NCc1cn(CC(=O)OC)nn1 ZINC000090708393 345574379 /nfs/dbraw/zinc/57/43/79/345574379.db2.gz LQSZITOIEKKXID-UHFFFAOYSA-N 0 3 240.307 0.729 20 0 BCADHN Cc1nc[nH]c1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000635538825 345512086 /nfs/dbraw/zinc/51/20/86/345512086.db2.gz PUSQZOBHMOXLIW-NSHDSACASA-N 0 3 248.330 0.932 20 0 BCADHN CC(=O)CCC(=O)NC[C@@H](C)CN(C)C ZINC000308873730 187307169 /nfs/dbraw/zinc/30/71/69/187307169.db2.gz CKIRFPPLDSEBRN-SECBINFHSA-N 0 3 214.309 0.670 20 0 BCADHN C[C@@H]1C[C@H](CO)CCN1C[C@H]1COCCO1 ZINC000626121807 345518581 /nfs/dbraw/zinc/51/85/81/345518581.db2.gz VRCTXDWBJJUYAA-UTUOFQBUSA-N 0 3 229.320 0.495 20 0 BCADHN CC(=O)CCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000091391840 345591770 /nfs/dbraw/zinc/59/17/70/345591770.db2.gz LWWVKHYWJASMTI-LLVKDONJSA-N 0 3 226.320 0.908 20 0 BCADHN COC1CCN([C@@H](C)CN2CCOCC2)CC1 ZINC000091515227 345596283 /nfs/dbraw/zinc/59/62/83/345596283.db2.gz HPMHOFUYTNTLPV-LBPRGKRZSA-N 0 3 242.363 0.818 20 0 BCADHN CCN(CC)CC(=O)N1CC(C)(F)C1 ZINC000684323654 488289846 /nfs/dbraw/zinc/28/98/46/488289846.db2.gz JBHWUZOLYAHVAX-UHFFFAOYSA-N 0 3 202.273 0.899 20 0 BCADHN C[C@H](C(=O)N(C)[C@@H]1CN2CCC1CC2)N(C)C ZINC000635549196 345602105 /nfs/dbraw/zinc/60/21/05/345602105.db2.gz DOHJSAQVZNWVIT-ZYHUDNBSSA-N 0 3 239.363 0.489 20 0 BCADHN COC(=O)[C@@H]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000600980316 345636995 /nfs/dbraw/zinc/63/69/95/345636995.db2.gz UWTQPQXVVIDUAD-SCZZXKLOSA-N 0 3 238.291 0.641 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C)CC1 ZINC000092246689 345608962 /nfs/dbraw/zinc/60/89/62/345608962.db2.gz KVXYQYWUODMOHA-GXSJLCMTSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@](C)(N)c1cn([C@@H](C)C(=O)OC)nn1 ZINC000600976501 345582920 /nfs/dbraw/zinc/58/29/20/345582920.db2.gz QHZOWZFOJGFUIP-XVKPBYJWSA-N 0 3 226.280 0.596 20 0 BCADHN CC(C(=O)NCCC(C)(F)F)S(C)(=O)=O ZINC000622624284 345591108 /nfs/dbraw/zinc/59/11/08/345591108.db2.gz CGYSGMCUUQLKAD-ZCFIWIBFSA-N 0 3 243.275 0.581 20 0 BCADHN CC(C)N1CCN(Cc2c[nH]cn2)CC1 ZINC000179961556 187308440 /nfs/dbraw/zinc/30/84/40/187308440.db2.gz FVNGDSVHHXGWNW-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN CC(C)N1CCN(Cc2cnc[nH]2)CC1 ZINC000179961556 187308442 /nfs/dbraw/zinc/30/84/42/187308442.db2.gz FVNGDSVHHXGWNW-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN CC(C)C(=O)NCCNCc1ccncc1N ZINC000641703235 362612968 /nfs/dbraw/zinc/61/29/68/362612968.db2.gz KECRMPFCARYYSJ-UHFFFAOYSA-N 0 3 236.319 0.526 20 0 BCADHN Nc1cnccc1CNC1CCOCC1 ZINC000641708483 362616954 /nfs/dbraw/zinc/61/69/54/362616954.db2.gz RNRJRLSDQXHKGU-UHFFFAOYSA-N 0 3 207.277 0.932 20 0 BCADHN C[C@@H](CNCc1ccncc1N)N(C)C ZINC000641717276 362628520 /nfs/dbraw/zinc/62/85/20/362628520.db2.gz CUECFFSNSFFNRU-VIFPVBQESA-N 0 3 208.309 0.704 20 0 BCADHN COC(=O)c1cc(CN2CC[C@@H](CO)C2)c[nH]1 ZINC000092764489 345643232 /nfs/dbraw/zinc/64/32/32/345643232.db2.gz HBNXCCGQUUKRDU-SECBINFHSA-N 0 3 238.287 0.616 20 0 BCADHN CN(C)C(=O)CCNCc1ccncc1N ZINC000641712566 362624323 /nfs/dbraw/zinc/62/43/23/362624323.db2.gz GRLNUQFXHJUXHJ-UHFFFAOYSA-N 0 3 222.292 0.232 20 0 BCADHN CN(CCN1CCCC1=O)CC1=CCCOC1 ZINC000093320427 345651890 /nfs/dbraw/zinc/65/18/90/345651890.db2.gz UXDGJBVIEGIFCC-UHFFFAOYSA-N 0 3 238.331 0.887 20 0 BCADHN Cc1nccn1CCN1CC[C@H](C)[C@H](O)C1 ZINC000093344726 345654391 /nfs/dbraw/zinc/65/43/91/345654391.db2.gz KZSUKPWWNVUFOS-CMPLNLGQSA-N 0 3 223.320 0.894 20 0 BCADHN CN1C[C@H](NCc2ccncc2N)CCC1=O ZINC000641726525 362642499 /nfs/dbraw/zinc/64/24/99/362642499.db2.gz PAWFPKJRVXNBKD-SNVBAGLBSA-N 0 3 234.303 0.374 20 0 BCADHN CCCCC(=O)N[C@H](CO)CN1CCCC1 ZINC000673531449 488292348 /nfs/dbraw/zinc/29/23/48/488292348.db2.gz MWAPDANBFVLTPR-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN COCC[C@](C)(O)CNCc1ccncc1N ZINC000641727757 362647781 /nfs/dbraw/zinc/64/77/81/362647781.db2.gz KJHWZXQCSIJYAW-LBPRGKRZSA-N 0 3 239.319 0.541 20 0 BCADHN CCN(CCCn1ccnc1)CC(=O)N(C)C ZINC000678881072 488292448 /nfs/dbraw/zinc/29/24/48/488292448.db2.gz BGIMUHNIMZIXIX-UHFFFAOYSA-N 0 3 238.335 0.683 20 0 BCADHN CCC[C@H](C)C(=O)N[C@@H](CO)CN(C)C ZINC000673519613 488292623 /nfs/dbraw/zinc/29/26/23/488292623.db2.gz BGZHMWNUEPXAHS-VHSXEESVSA-N 0 3 216.325 0.461 20 0 BCADHN C[NH+](C)CCOc1cccc(-c2nnn[n-]2)c1 ZINC000095193171 345682985 /nfs/dbraw/zinc/68/29/85/345682985.db2.gz UAPWUROCIGPWHV-UHFFFAOYSA-N 0 3 233.275 0.807 20 0 BCADHN COC[C@](C)(CCO)NCc1ccncc1N ZINC000641733470 362654842 /nfs/dbraw/zinc/65/48/42/362654842.db2.gz QLBLRTHIRQEWPX-LBPRGKRZSA-N 0 3 239.319 0.541 20 0 BCADHN CC[C@](C)(CO)NCc1ccncc1N ZINC000641714584 362630767 /nfs/dbraw/zinc/63/07/67/362630767.db2.gz BGDNUACANFERKG-LLVKDONJSA-N 0 3 209.293 0.914 20 0 BCADHN O=C(NCCN1CCCC1)c1ccncn1 ZINC000139605155 345692877 /nfs/dbraw/zinc/69/28/77/345692877.db2.gz ALQSCSQLRMQWPO-UHFFFAOYSA-N 0 3 220.276 0.302 20 0 BCADHN CNC(=O)CCN1CCO[C@@H]2CCC[C@@H]21 ZINC000138378945 345694285 /nfs/dbraw/zinc/69/42/85/345694285.db2.gz IKNBKCVXINJKOB-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@@H](C(=O)N1CC(C)(CO)C1)N(C)C ZINC000622650157 345739069 /nfs/dbraw/zinc/73/90/69/345739069.db2.gz VYYWOIJCOPWLQI-VIFPVBQESA-N 0 3 214.309 0.167 20 0 BCADHN COCC[C@H](C)N(C)[C@H]1CCNC1=O ZINC000340220607 537908876 /nfs/dbraw/zinc/90/88/76/537908876.db2.gz NGBWRTHUWVLVGC-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN c1cncc(CNC[C@H]2COCCN2)c1 ZINC000220237221 345746133 /nfs/dbraw/zinc/74/61/33/345746133.db2.gz BRPGRVGXOIIBHW-NSHDSACASA-N 0 3 207.277 0.160 20 0 BCADHN C[C@@H](C(=O)N[C@@H]1CCN(C2CC2)C1)n1cccn1 ZINC000144339734 345708926 /nfs/dbraw/zinc/70/89/26/345708926.db2.gz CQUZWPZHCBZQNH-WDEREUQCSA-N 0 3 248.330 0.797 20 0 BCADHN CC(C)N1CC[C@H](N(C)S(C)(=O)=O)C1 ZINC000147969736 345718414 /nfs/dbraw/zinc/71/84/14/345718414.db2.gz NNFSGWKSWPWRKX-VIFPVBQESA-N 0 3 220.338 0.361 20 0 BCADHN CNC(=O)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC000600989515 345777271 /nfs/dbraw/zinc/77/72/71/345777271.db2.gz PRHCNSYRPDCOCG-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN COCCN(C)CCNCc1oc(C)nc1C ZINC000628210682 345821676 /nfs/dbraw/zinc/82/16/76/345821676.db2.gz FVEITMGZZLXLHD-UHFFFAOYSA-N 0 3 241.335 0.959 20 0 BCADHN CN1CCC[C@H]1CNC(=O)CCn1cccn1 ZINC000139178768 345792687 /nfs/dbraw/zinc/79/26/87/345792687.db2.gz WSGWBAXUIAJXBY-NSHDSACASA-N 0 3 236.319 0.484 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)C1C(C)(C)C1(C)C ZINC000673522745 488293735 /nfs/dbraw/zinc/29/37/35/488293735.db2.gz WBCNHDRCEQFRFE-VIFPVBQESA-N 0 3 242.363 0.707 20 0 BCADHN COCCN(CCn1cccn1)C1CC1 ZINC000139909314 345804348 /nfs/dbraw/zinc/80/43/48/345804348.db2.gz UUJJYJJFSBGEMP-UHFFFAOYSA-N 0 3 209.293 0.994 20 0 BCADHN COCCN1CCCC[C@@H]1CNC(C)=O ZINC000626154528 345857831 /nfs/dbraw/zinc/85/78/31/345857831.db2.gz QRFXFMVQHWVIKJ-LLVKDONJSA-N 0 3 214.309 0.623 20 0 BCADHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@H]1C[C@@H](O)C1 ZINC000635571197 345824547 /nfs/dbraw/zinc/82/45/47/345824547.db2.gz SHMPRZVPKZIIPK-SDDRHHMPSA-N 0 3 240.347 0.558 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)[C@H]1C[C@@H](O)C1 ZINC000635572948 345826118 /nfs/dbraw/zinc/82/61/18/345826118.db2.gz QBSGVUPRVWKOET-SDDRHHMPSA-N 0 3 240.347 0.748 20 0 BCADHN COC[C@H]1CCCN1C[C@](C)(O)C(=O)OC ZINC000588960021 345830886 /nfs/dbraw/zinc/83/08/86/345830886.db2.gz IWDWRICXXWRQDH-KOLCDFICSA-N 0 3 231.292 0.021 20 0 BCADHN C[C@H](C(=O)N[C@H]1CCN(C)[C@H](C)C1)N(C)C ZINC000635605980 345889589 /nfs/dbraw/zinc/88/95/89/345889589.db2.gz GHEKWEWLIBUUKE-MXWKQRLJSA-N 0 3 227.352 0.535 20 0 BCADHN C[C@H](C(=O)N[C@H]1CCN(C)[C@@H](C)C1)N(C)C ZINC000635605977 345889948 /nfs/dbraw/zinc/88/99/48/345889948.db2.gz GHEKWEWLIBUUKE-AXFHLTTASA-N 0 3 227.352 0.535 20 0 BCADHN NCC(=O)NCCC[C@H]1CCCCO1 ZINC000563161135 323097604 /nfs/dbraw/zinc/09/76/04/323097604.db2.gz RHVDYPFIWQLHHI-SECBINFHSA-N 0 3 200.282 0.411 20 0 BCADHN C[C@@H](NC[C@H]1CCC=CO1)C(=O)NCCF ZINC000282251723 187360617 /nfs/dbraw/zinc/36/06/17/187360617.db2.gz BIFQTQMGFJSCRA-NXEZZACHSA-N 0 3 230.283 0.743 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H](C)C(=O)OC(C)C ZINC000577076781 365806263 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20 0 BCADHN O=S(=O)(CCc1cccs1)NC1CNC1 ZINC000381495747 346114906 /nfs/dbraw/zinc/11/49/06/346114906.db2.gz MEOKUCUDXKGWCC-UHFFFAOYSA-N 0 3 246.357 0.182 20 0 BCADHN C[C@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)N(C)C ZINC000635992381 346143000 /nfs/dbraw/zinc/14/30/00/346143000.db2.gz RXBIOPUIJKVPPN-OUAUKWLOSA-N 0 3 225.336 0.099 20 0 BCADHN C[C@H](C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)N(C)C ZINC000635967493 346126329 /nfs/dbraw/zinc/12/63/29/346126329.db2.gz DIGMPWOVAYVXAE-OUAUKWLOSA-N 0 3 227.352 0.488 20 0 BCADHN COCC[C@@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000586853237 346163578 /nfs/dbraw/zinc/16/35/78/346163578.db2.gz VQEOKOYHOTXNJV-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN CCN(CC)C[C@H](C)NS(=O)(=O)C1CC1 ZINC000440086208 537949076 /nfs/dbraw/zinc/94/90/76/537949076.db2.gz DTPUUHHHSUHEHP-VIFPVBQESA-N 0 3 234.365 0.799 20 0 BCADHN COc1ccc([C@H](O)CNC(=O)[C@@H](C)N)cc1 ZINC000237252800 323107327 /nfs/dbraw/zinc/10/73/27/323107327.db2.gz GAGYIRODMLOXPS-LDYMZIIASA-N 0 3 238.287 0.192 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1coc(CO)c1 ZINC000636013412 346154562 /nfs/dbraw/zinc/15/45/62/346154562.db2.gz XMDNTEUOGJEPTJ-UHFFFAOYSA-N 0 3 240.303 0.842 20 0 BCADHN CCN(CCOC)CCn1ccccc1=O ZINC000586830703 346154582 /nfs/dbraw/zinc/15/45/82/346154582.db2.gz ZMJQEHAUAIELEL-UHFFFAOYSA-N 0 3 224.304 0.817 20 0 BCADHN CN(C)Cc1ccc(NC(=O)C(N)=O)c(F)c1 ZINC000636024584 346161610 /nfs/dbraw/zinc/16/16/10/346161610.db2.gz VDVCYLBZDOTVOF-UHFFFAOYSA-N 0 3 239.250 0.311 20 0 BCADHN CCN(CCNC(=O)c1ccnc(C)n1)C1CC1 ZINC000586841221 346163050 /nfs/dbraw/zinc/16/30/50/346163050.db2.gz ARRVVYQNRDANON-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN COCC[C@@H](C)N1CCN(CCOC)CC1 ZINC000447372823 537955978 /nfs/dbraw/zinc/95/59/78/537955978.db2.gz JGPQBHBQKIXFSL-GFCCVEGCSA-N 0 3 230.352 0.675 20 0 BCADHN FC(F)[C@@H]1CNCCN1Cc1cocn1 ZINC000381519810 346239289 /nfs/dbraw/zinc/23/92/89/346239289.db2.gz VTQWMRQUMNKFLK-QMMMGPOBSA-N 0 3 217.219 0.714 20 0 BCADHN CC(=O)CCN1CCC[C@H](N2CCNC2=O)C1 ZINC000365136807 187318121 /nfs/dbraw/zinc/31/81/21/187318121.db2.gz RJQFVJSNDXFRFI-NSHDSACASA-N 0 3 239.319 0.455 20 0 BCADHN CSCCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000167446341 346247859 /nfs/dbraw/zinc/24/78/59/346247859.db2.gz HZDWCYVNFRSJPY-RKDXNWHRSA-N 0 3 216.350 0.854 20 0 BCADHN Nc1cnccc1CN[C@H](CO)CC1CC1 ZINC000641744772 362666885 /nfs/dbraw/zinc/66/68/85/362666885.db2.gz YMKTUFHPZLGTIQ-NSHDSACASA-N 0 3 221.304 0.914 20 0 BCADHN CC1(C)CN(Cc2ccnc(N)c2)C[C@H]1O ZINC000279816703 346267712 /nfs/dbraw/zinc/26/77/12/346267712.db2.gz QFRXRZSGBOOCMN-SNVBAGLBSA-N 0 3 221.304 0.867 20 0 BCADHN COC[C@@H](CO)NCc1cnccc1N(C)C ZINC000641749271 362669687 /nfs/dbraw/zinc/66/96/87/362669687.db2.gz DJVSUIOZGSLTOI-LLVKDONJSA-N 0 3 239.319 0.245 20 0 BCADHN CC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000307711443 187319102 /nfs/dbraw/zinc/31/91/02/187319102.db2.gz UCPFJRNEPNBLMB-VIFPVBQESA-N 0 3 202.323 0.560 20 0 BCADHN Cc1cccc(C(=O)NC[C@@]2(O)CCN(C)C2)n1 ZINC000358077088 179018086 /nfs/dbraw/zinc/01/80/86/179018086.db2.gz WXDNCOLBKMRWJT-ZDUSSCGKSA-N 0 3 249.314 0.186 20 0 BCADHN Nc1cnccc1CN[C@@H]1CCn2ccnc2C1 ZINC000641749498 362669785 /nfs/dbraw/zinc/66/97/85/362669785.db2.gz UBPCBZIEZGKWKT-LLVKDONJSA-N 0 3 243.314 0.965 20 0 BCADHN CC1(C)[C@H](NCc2ccncc2N)C[C@@H]1O ZINC000641749566 362670713 /nfs/dbraw/zinc/67/07/13/362670713.db2.gz VELCPSTXTXACQA-MNOVXSKESA-N 0 3 221.304 0.913 20 0 BCADHN C[C@@H]1OCC[C@@]1(O)CNCc1ccncc1N ZINC000641749990 362671387 /nfs/dbraw/zinc/67/13/87/362671387.db2.gz FJJOAYRRXCSRIG-JOYOIKCWSA-N 0 3 237.303 0.293 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ccc(C(C)=O)c(C)n1 ZINC000152931204 346281141 /nfs/dbraw/zinc/28/11/41/346281141.db2.gz SNNOQWIDWMALKZ-GFCCVEGCSA-N 0 3 249.314 0.946 20 0 BCADHN C=Cn1cc(CNC[C@H](COC)OC)cn1 ZINC000219394585 187319263 /nfs/dbraw/zinc/31/92/63/187319263.db2.gz DIJYWCHRVDBZGZ-LLVKDONJSA-N 0 3 225.292 0.735 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccc2c(n1)CCC2 ZINC000641738945 362664560 /nfs/dbraw/zinc/66/45/60/362664560.db2.gz SLZJPEYXSBGSFK-VIFPVBQESA-N 0 3 233.315 0.924 20 0 BCADHN C[C@@H](CCNCc1ccncc1N)[S@@](C)=O ZINC000603427565 349949734 /nfs/dbraw/zinc/94/97/34/349949734.db2.gz OAHCPDDPIXFUHU-XXFAHNHDSA-N 0 3 241.360 0.911 20 0 BCADHN C[C@](O)(CO)CNCc1ccc2c(n1)CCC2 ZINC000641752536 362677108 /nfs/dbraw/zinc/67/71/08/362677108.db2.gz GXTHUHHPSMKEMF-CYBMUJFWSA-N 0 3 236.315 0.403 20 0 BCADHN COCC[C@@H](COC)NCc1ccncc1N ZINC000641755642 362681355 /nfs/dbraw/zinc/68/13/55/362681355.db2.gz PMUPEQIASHAYKX-NSHDSACASA-N 0 3 239.319 0.805 20 0 BCADHN CC1(C)CN(Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC000279973069 346288889 /nfs/dbraw/zinc/28/88/89/346288889.db2.gz YZVKPZIBOMJMRA-GFCCVEGCSA-N 0 3 248.326 0.988 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)c1cnccn1)N(C)C ZINC000636126648 346327554 /nfs/dbraw/zinc/32/75/54/346327554.db2.gz ISEXWFLZGDPCLT-KOLCDFICSA-N 0 3 236.319 0.994 20 0 BCADHN CCN(C(=O)c1nc[nH]n1)[C@@H]1CCN(CC)C1 ZINC000617926245 346327847 /nfs/dbraw/zinc/32/78/47/346327847.db2.gz AHTWEDIJGUPQTL-SECBINFHSA-N 0 3 237.307 0.361 20 0 BCADHN Cn1cncc1CCN1CCN(C)C(C)(C)C1 ZINC000563357479 323119650 /nfs/dbraw/zinc/11/96/50/323119650.db2.gz VVJGXBVWMRWFTI-UHFFFAOYSA-N 0 3 236.363 0.989 20 0 BCADHN O=c1[nH]c2ccc(CN[C@H]3C[C@@H](O)C3)cc2[nH]1 ZINC000641759126 362690007 /nfs/dbraw/zinc/69/00/07/362690007.db2.gz BFDVSGTUYMDTDK-DTORHVGOSA-N 0 3 233.271 0.881 20 0 BCADHN CCCN(C(=O)[C@@H](C)N(C)C)[C@H]1CCN(C)C1 ZINC000636063799 346308104 /nfs/dbraw/zinc/30/81/04/346308104.db2.gz RPJRSNXCAMUFIS-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN C[C@]1(CNCc2ccncc2N)CCC(=O)N1 ZINC000641759599 362691617 /nfs/dbraw/zinc/69/16/17/362691617.db2.gz HCRAGKNPLCBSJQ-GFCCVEGCSA-N 0 3 234.303 0.422 20 0 BCADHN CN(C)[C@@H]1C[C@H](NC(=O)C2CC(=O)C2)C1(C)C ZINC000636096965 346317920 /nfs/dbraw/zinc/31/79/20/346317920.db2.gz JFUBCADMKOXTAD-WDEREUQCSA-N 0 3 238.331 0.810 20 0 BCADHN NC(=O)CC1(CNCc2ccncc2N)CC1 ZINC000641762607 362694655 /nfs/dbraw/zinc/69/46/55/362694655.db2.gz OOTXPHYEWQVMST-UHFFFAOYSA-N 0 3 234.303 0.409 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H](CC1CC1)C(=O)OC ZINC000563338848 323119154 /nfs/dbraw/zinc/11/91/54/323119154.db2.gz NVBSGOZODYFOHT-UWVGGRQHSA-N 0 3 242.319 0.429 20 0 BCADHN CCN(C(=O)[C@H]1C[C@@H](O)C1)[C@H]1CCN(CC)C1 ZINC000636174479 346345843 /nfs/dbraw/zinc/34/58/43/346345843.db2.gz BJPVFEHNSHNCEO-SDDRHHMPSA-N 0 3 240.347 0.700 20 0 BCADHN CC1(C(N)=O)CN(CCc2cccnc2)C1 ZINC000564916991 537969469 /nfs/dbraw/zinc/96/94/69/537969469.db2.gz WDKFEXVEGMRPNX-UHFFFAOYSA-N 0 3 219.288 0.431 20 0 BCADHN O=c1[nH]c2ccc(CN[C@H]3C[C@H](O)C3)cc2[nH]1 ZINC000641771686 362710149 /nfs/dbraw/zinc/71/01/49/362710149.db2.gz BFDVSGTUYMDTDK-KYZUINATSA-N 0 3 233.271 0.881 20 0 BCADHN CCCS(=O)(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000390807572 346353990 /nfs/dbraw/zinc/35/39/90/346353990.db2.gz MRRWFMMIPCZUDI-ZJUUUORDSA-N 0 3 234.365 0.751 20 0 BCADHN CC[C@@H](NC(=O)C(=O)N[C@H](C)CN)C(C)C ZINC000419159147 192100779 /nfs/dbraw/zinc/10/07/79/192100779.db2.gz YVHSYHVKXIDUDV-RKDXNWHRSA-N 0 3 229.324 0.001 20 0 BCADHN Cc1cccc(CCCN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278559479 179054165 /nfs/dbraw/zinc/05/41/65/179054165.db2.gz BIVQSXMEHINLLH-OKILXGFUSA-N 0 3 235.327 0.965 20 0 BCADHN CCc1ncc(CN[C@@H](CO)CCOC)cn1 ZINC000641766377 362698640 /nfs/dbraw/zinc/69/86/40/362698640.db2.gz XIUZYUYLCJLULJ-LLVKDONJSA-N 0 3 239.319 0.526 20 0 BCADHN CCN(C(=O)c1[nH]cnc1C)[C@H]1CCN(C)C1 ZINC000636160968 346341373 /nfs/dbraw/zinc/34/13/73/346341373.db2.gz QZKZURKMWXJCRO-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2ccncc2N)C1 ZINC000641768793 362707290 /nfs/dbraw/zinc/70/72/90/362707290.db2.gz IGEGUDVHKLQGLT-DTORHVGOSA-N 0 3 220.276 0.017 20 0 BCADHN CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)CN ZINC000419175670 192102000 /nfs/dbraw/zinc/10/20/00/192102000.db2.gz PPTICWPQDRRMSB-BBBLOLIVSA-N 0 3 243.351 0.391 20 0 BCADHN CO[C@H](CC(C)C)CN1CCNC(=O)CC1 ZINC000419196403 192101510 /nfs/dbraw/zinc/10/15/10/192101510.db2.gz AVLUXCDMIDNHHL-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN Nc1cnccc1CNCCOCCF ZINC000641775029 362714066 /nfs/dbraw/zinc/71/40/66/362714066.db2.gz SYFZAWQMYGQZAB-UHFFFAOYSA-N 0 3 213.256 0.740 20 0 BCADHN Nc1cnccc1CNC[C@H](O)[C@H]1CCCO1 ZINC000641774452 362714327 /nfs/dbraw/zinc/71/43/27/362714327.db2.gz FQOOXRKUNCZSAY-NWDGAFQWSA-N 0 3 237.303 0.293 20 0 BCADHN CNCC(=O)NCCOc1ccccc1OC ZINC000589034115 346384253 /nfs/dbraw/zinc/38/42/53/346384253.db2.gz BVHKWFVMVKYYGO-UHFFFAOYSA-N 0 3 238.287 0.410 20 0 BCADHN CC[C@H](C)C[C@@H](C)NC(=O)C(=O)N(C)CCN ZINC000419179855 192101333 /nfs/dbraw/zinc/10/13/33/192101333.db2.gz WRYZLGVPOMVNKS-VHSXEESVSA-N 0 3 243.351 0.344 20 0 BCADHN CC(C)OC1CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000636326249 346397130 /nfs/dbraw/zinc/39/71/30/346397130.db2.gz DEDMQFALBPBDMT-MRVPVSSYSA-N 0 3 249.332 0.055 20 0 BCADHN CCN(C(=O)c1c[nH]cn1)[C@H]1CCN(CC)C1 ZINC000617929900 346400781 /nfs/dbraw/zinc/40/07/81/346400781.db2.gz SMXXFTALPGLLTB-JTQLQIEISA-N 0 3 236.319 0.966 20 0 BCADHN C[C@H](CNC(=O)c1cc[n+]([O-])cc1)N(C)C1CC1 ZINC000069534439 362718889 /nfs/dbraw/zinc/71/88/89/362718889.db2.gz YPRQQIOIUGYSRA-SNVBAGLBSA-N 0 3 249.314 0.533 20 0 BCADHN C[C@H](O)CN(CCN(C)C)Cc1ccccn1 ZINC000574925291 346414886 /nfs/dbraw/zinc/41/48/86/346414886.db2.gz WPIJFNOGNMEVEG-LBPRGKRZSA-N 0 3 237.347 0.826 20 0 BCADHN CN[C@@H](C)C(=O)NCCCNc1ccccn1 ZINC000563416357 323123481 /nfs/dbraw/zinc/12/34/81/323123481.db2.gz IWHALUBGFYYJIK-JTQLQIEISA-N 0 3 236.319 0.608 20 0 BCADHN Cc1c(CN2CC[C@@H](CO)[C@H]2C)cnn1C ZINC000336429698 187368746 /nfs/dbraw/zinc/36/87/46/187368746.db2.gz VTEHDIIWTZLORO-MNOVXSKESA-N 0 3 223.320 0.931 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCCN(C2CC2)CC1 ZINC000178747622 535047406 /nfs/dbraw/zinc/04/74/06/535047406.db2.gz ZMFWBDKVVOZVFT-LBPRGKRZSA-N 0 3 239.363 0.666 20 0 BCADHN CC1(C)CC[C@@H]1NCC(=O)N1CCOCC1 ZINC000334192740 346439903 /nfs/dbraw/zinc/43/99/03/346439903.db2.gz JLMYBIQAZJOTCG-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H](CNCC1(O)CCCC1)S(C)(=O)=O ZINC000577097735 365815177 /nfs/dbraw/zinc/81/51/77/365815177.db2.gz KWKAVGOMDKHHMS-SECBINFHSA-N 0 3 235.349 0.314 20 0 BCADHN Cc1cccc(CNCC(=O)N2CCOCC2)c1 ZINC000037871850 179091140 /nfs/dbraw/zinc/09/11/40/179091140.db2.gz ICTBTPYMERHPRV-UHFFFAOYSA-N 0 3 248.326 0.943 20 0 BCADHN CCOC[C@@H](O)CNCc1ccccc1CO ZINC000580075270 346511029 /nfs/dbraw/zinc/51/10/29/346511029.db2.gz ZZXXIBOJEUXKGE-ZDUSSCGKSA-N 0 3 239.315 0.666 20 0 BCADHN Cc1cccc(CN[C@@H]2COC[C@H]2O)c1 ZINC000037894994 179100512 /nfs/dbraw/zinc/10/05/12/179100512.db2.gz ONPAAINPXRBUQV-VXGBXAGGSA-N 0 3 207.273 0.844 20 0 BCADHN CC(C)OC[C@H](O)CN1CCN(C)C(C)(C)C1 ZINC000070100283 349966354 /nfs/dbraw/zinc/96/63/54/349966354.db2.gz MOJVASVSUGUHRO-GFCCVEGCSA-N 0 3 244.379 0.798 20 0 BCADHN CN(C)[C@H]1CN(C[C@H]2CCC(C)(C)O2)C[C@@H]1O ZINC000580091306 346520998 /nfs/dbraw/zinc/52/09/98/346520998.db2.gz XFSVIAYFSVBSOA-WOPDTQHZSA-N 0 3 242.363 0.551 20 0 BCADHN CCCN(CCNS(C)(=O)=O)C1CC1 ZINC000170958377 346489644 /nfs/dbraw/zinc/48/96/44/346489644.db2.gz FOFNLMQBSDEEST-UHFFFAOYSA-N 0 3 220.338 0.410 20 0 BCADHN CO[C@@H](CC(C)C)CN1CCC[C@H]1C(N)=O ZINC000419204952 192103983 /nfs/dbraw/zinc/10/39/83/192103983.db2.gz PHQJTOXJMZVRSV-QWRGUYRKSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@H]1CN(CC[C@H]2CCNC2=O)CCO1 ZINC000580615168 365819004 /nfs/dbraw/zinc/81/90/04/365819004.db2.gz UPGNPJDQUJBMSK-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN C/C=C/CNC(=O)NCCN(C)C1CC1 ZINC000623718645 346558887 /nfs/dbraw/zinc/55/88/87/346558887.db2.gz UEFONVWCNFVUIN-ONEGZZNKSA-N 0 3 211.309 0.956 20 0 BCADHN CCN1CCCC[C@H]1C(=O)NCCCC(N)=O ZINC000104257323 346534496 /nfs/dbraw/zinc/53/44/96/346534496.db2.gz PVLMQVRGIUXNQS-JTQLQIEISA-N 0 3 241.335 0.243 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N(C)CCOC ZINC000104289961 346535283 /nfs/dbraw/zinc/53/52/83/346535283.db2.gz QKFVFNFAKIYNJI-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCN1CCCC[C@H]1C(=O)NCCNC(C)=O ZINC000104204036 346536108 /nfs/dbraw/zinc/53/61/08/346536108.db2.gz FYVGKIWUOHLVGW-NSHDSACASA-N 0 3 241.335 0.113 20 0 BCADHN COC[C@](C)(O)CNCc1cnc(C)nc1 ZINC000390504852 259391458 /nfs/dbraw/zinc/39/14/58/259391458.db2.gz WNLMXRWOLJALHA-LLVKDONJSA-N 0 3 225.292 0.272 20 0 BCADHN CC[C@@H](CO)N1CCN(C[C@@H](C)COC)CC1 ZINC000187386004 346572539 /nfs/dbraw/zinc/57/25/39/346572539.db2.gz RJPLOEMIXRDSTR-OLZOCXBDSA-N 0 3 244.379 0.657 20 0 BCADHN CC[C@@H](O)CN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000187450163 346574707 /nfs/dbraw/zinc/57/47/07/346574707.db2.gz NSEVDYMAXPEFOS-OPRDCNLKSA-N 0 3 214.309 0.343 20 0 BCADHN CCN(CC)CCNC(=O)CCC(C)=O ZINC000201877752 346577290 /nfs/dbraw/zinc/57/72/90/346577290.db2.gz JQUWILXIDCHMIZ-UHFFFAOYSA-N 0 3 214.309 0.814 20 0 BCADHN Cc1cccc(N2CCCN(CCO)CC2)n1 ZINC000071349609 179122590 /nfs/dbraw/zinc/12/25/90/179122590.db2.gz HVQQACOHFZRUQS-UHFFFAOYSA-N 0 3 235.331 0.894 20 0 BCADHN CC/C=C\CNC(=O)N1CCOC2(CNC2)C1 ZINC000563606844 323131279 /nfs/dbraw/zinc/13/12/79/323131279.db2.gz WWGDCPROKCTIKU-ARJAWSKDSA-N 0 3 239.319 0.336 20 0 BCADHN C[C@@H]1CN(C2CCCC2)CCN1CCO ZINC000187734197 346604915 /nfs/dbraw/zinc/60/49/15/346604915.db2.gz UQFJRQGFMCCPOG-LLVKDONJSA-N 0 3 212.337 0.927 20 0 BCADHN CC(C)CO[C@H](C)C(=O)N1CCCNCC1 ZINC000580192097 346646689 /nfs/dbraw/zinc/64/66/89/346646689.db2.gz YESILBGTOVQXPG-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H]1CCCCN(CC(=O)N2CCNC2=O)C1 ZINC000187912971 346648653 /nfs/dbraw/zinc/64/86/53/346648653.db2.gz JSLKMPDUYWXPKK-SNVBAGLBSA-N 0 3 239.319 0.660 20 0 BCADHN C[C@H]1CCCCN(CC(=O)N2CCNC2=O)C1 ZINC000187912997 346648873 /nfs/dbraw/zinc/64/88/73/346648873.db2.gz JSLKMPDUYWXPKK-JTQLQIEISA-N 0 3 239.319 0.660 20 0 BCADHN CO[C@@H](C)CCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000588285044 346659597 /nfs/dbraw/zinc/65/95/97/346659597.db2.gz WDCVOQJOMRFNMU-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CSCCNC(=O)N[C@@H](C)CN(C)C ZINC000588327854 346662425 /nfs/dbraw/zinc/66/24/25/346662425.db2.gz GHXFPTWRRYPSIK-QMMMGPOBSA-N 0 3 219.354 0.599 20 0 BCADHN COCCC(=O)N[C@H]1CCCN(C)C1 ZINC000589165061 346670874 /nfs/dbraw/zinc/67/08/74/346670874.db2.gz JPOZKWBEZGSUEU-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CC(=O)CCC(=O)N1CCC[C@H]1CN(C)C ZINC000203577913 346638996 /nfs/dbraw/zinc/63/89/96/346638996.db2.gz OWDCFRYOXSZAEI-NSHDSACASA-N 0 3 226.320 0.908 20 0 BCADHN CN(CC1(CO)COC1)[C@H]1CCCOC1 ZINC000401429277 346704540 /nfs/dbraw/zinc/70/45/40/346704540.db2.gz FCAALZDJGWIAML-JTQLQIEISA-N 0 3 215.293 0.106 20 0 BCADHN CC[C@@H](NC[C@H](O)COC)c1cnn(C)c1 ZINC000167866684 346719453 /nfs/dbraw/zinc/71/94/53/346719453.db2.gz ASXNJXRXCZVIDV-WDEREUQCSA-N 0 3 227.308 0.468 20 0 BCADHN COCCOC[C@@H](O)CNCc1ccn(C)c1 ZINC000562991657 346719464 /nfs/dbraw/zinc/71/94/64/346719464.db2.gz QGFOZLXKNORNHQ-LBPRGKRZSA-N 0 3 242.319 0.139 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cnccc1OC ZINC000166575318 346681867 /nfs/dbraw/zinc/68/18/67/346681867.db2.gz LYEMKKJXFPAOAC-SSDOTTSWSA-N 0 3 209.249 0.766 20 0 BCADHN CCCN1CC[C@@H](NC(=O)[C@@H](C)OC)C1 ZINC000389431305 346726940 /nfs/dbraw/zinc/72/69/40/346726940.db2.gz YHNPONMLIWSMMO-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@@H](C)OC)C1 ZINC000389431308 346727083 /nfs/dbraw/zinc/72/70/83/346727083.db2.gz YHNPONMLIWSMMO-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CCN1CCCN([C@@H](C(=O)OC)C2CC2)CC1 ZINC000307830480 346697171 /nfs/dbraw/zinc/69/71/71/346697171.db2.gz ZPWQHUDGFZFFHZ-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC000589690411 346730255 /nfs/dbraw/zinc/73/02/55/346730255.db2.gz NIGRMPRXZCNQOR-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN COCCN(C)CCNC(=O)N1CC=CCC1 ZINC000679291180 488327255 /nfs/dbraw/zinc/32/72/55/488327255.db2.gz YTHVCKQVYYEFGJ-UHFFFAOYSA-N 0 3 241.335 0.536 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CC[C@H](CC2CC2)C1 ZINC000590202375 346789611 /nfs/dbraw/zinc/78/96/11/346789611.db2.gz OWXPUZKMXJKIIT-WCBMZHEXSA-N 0 3 239.319 0.692 20 0 BCADHN CN1CCC(NC(=O)N2CC[C@@](C)(O)C2)CC1 ZINC000188183627 346791564 /nfs/dbraw/zinc/79/15/64/346791564.db2.gz NIPRDDFWMYZIMZ-GFCCVEGCSA-N 0 3 241.335 0.247 20 0 BCADHN CNC(=O)NC(=O)CN1CC[C@@H](CC2CC2)C1 ZINC000590202739 346792491 /nfs/dbraw/zinc/79/24/91/346792491.db2.gz SKSMXFYWYLJGKE-JTQLQIEISA-N 0 3 239.319 0.564 20 0 BCADHN Cc1cccc(OCCCNC(=O)CN)c1 ZINC000041240538 179164826 /nfs/dbraw/zinc/16/48/26/179164826.db2.gz KXGGIOCBCBZXOL-UHFFFAOYSA-N 0 3 222.288 0.839 20 0 BCADHN Cc1cccc(OCCNC(=O)CN)c1 ZINC000041217422 179168285 /nfs/dbraw/zinc/16/82/85/179168285.db2.gz LSQGPYYQOJRGOC-UHFFFAOYSA-N 0 3 208.261 0.449 20 0 BCADHN CC(C)CNC(=O)CN[C@@](C)(CO)C(C)C ZINC000309698690 347135523 /nfs/dbraw/zinc/13/55/23/347135523.db2.gz SDKMPIOEKFWVQE-LBPRGKRZSA-N 0 3 230.352 0.755 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)CNC1CC1 ZINC000582052190 347136782 /nfs/dbraw/zinc/13/67/82/347136782.db2.gz VWWWYAQJADZARI-LLVKDONJSA-N 0 3 225.336 0.339 20 0 BCADHN CCOC(=O)C1(C)CC(N[C@H](CO)COC)C1 ZINC000601280962 347144755 /nfs/dbraw/zinc/14/47/55/347144755.db2.gz VLPUNZBRZIZODE-SQLBVSGCSA-N 0 3 245.319 0.315 20 0 BCADHN CCOC(=O)C1(C)CC(NC/C=C/CO)C1 ZINC000601284895 347149198 /nfs/dbraw/zinc/14/91/98/347149198.db2.gz NZFZPYYICHJTDL-SNAWJCMRSA-N 0 3 227.304 0.856 20 0 BCADHN Nc1ncccc1CN1CC[C@H](c2nnc[nH]2)C1 ZINC000582058888 347153674 /nfs/dbraw/zinc/15/36/74/347153674.db2.gz URDMJBSTSQWKMB-JTQLQIEISA-N 0 3 244.302 0.771 20 0 BCADHN C[C@@H](O)CN1CCN(c2ccncc2)CC1 ZINC000684572141 488328333 /nfs/dbraw/zinc/32/83/33/488328333.db2.gz FMXNYHBJTZMPIE-LLVKDONJSA-N 0 3 221.304 0.584 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N[C@H]1CCCC1(C)C ZINC000419216883 192104567 /nfs/dbraw/zinc/10/45/67/192104567.db2.gz CEIYGFYARYFDRA-IUCAKERBSA-N 0 3 241.335 0.145 20 0 BCADHN CC(C)[C@@H](O)CN1CCSC[C@H]1CO ZINC000388212155 347238748 /nfs/dbraw/zinc/23/87/48/347238748.db2.gz VJVMTNDDJWCGBM-ZJUUUORDSA-N 0 3 219.350 0.413 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1CS[C@H](C)C1 ZINC000250310582 362799551 /nfs/dbraw/zinc/79/95/51/362799551.db2.gz LTDJBNCYMQCIKS-VGMNWLOBSA-N 0 3 216.350 0.995 20 0 BCADHN C[C@@]1(CN2CCOC[C@@H](O)C2)CCCS1 ZINC000628297536 347256867 /nfs/dbraw/zinc/25/68/67/347256867.db2.gz BNRKFZQEDXQIIP-QWRGUYRKSA-N 0 3 231.361 0.965 20 0 BCADHN CSC[C@@H](O)CN[C@H](C(N)=O)C(C)(C)C ZINC000188056307 347271670 /nfs/dbraw/zinc/27/16/70/347271670.db2.gz DEGPGDFAQJWYOH-JGVFFNPUSA-N 0 3 234.365 0.200 20 0 BCADHN O[C@]1(CNCC2(F)CC2)CCSC1 ZINC000388274649 347283932 /nfs/dbraw/zinc/28/39/32/347283932.db2.gz IKECBSURGAKAGD-VIFPVBQESA-N 0 3 205.298 0.946 20 0 BCADHN CNCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000082276236 347325661 /nfs/dbraw/zinc/32/56/61/347325661.db2.gz AYMCJMBRCQAEDN-SECBINFHSA-N 0 3 222.292 0.335 20 0 BCADHN Cc1ncc(CNC[C@@H]2COCCN2C)n1C ZINC000623713723 347342476 /nfs/dbraw/zinc/34/24/76/347342476.db2.gz HTXKUCVBYTZHOC-GFCCVEGCSA-N 0 3 238.335 0.149 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)[C@@H](C)OC ZINC000191469740 347352619 /nfs/dbraw/zinc/35/26/19/347352619.db2.gz QPLYBTAZNVXZMG-VHSXEESVSA-N 0 3 216.325 0.868 20 0 BCADHN COC[C@@H](C)CN1CCC[C@@H]1C(=O)N(C)C ZINC000189601244 347305169 /nfs/dbraw/zinc/30/51/69/347305169.db2.gz GNIYRLHALIOMHP-WDEREUQCSA-N 0 3 228.336 0.822 20 0 BCADHN Cc1nc(CNC(=O)[C@@H](C)N)sc1C ZINC000082255777 347317612 /nfs/dbraw/zinc/31/76/12/347317612.db2.gz XJSNLFJJGHVHDI-RXMQYKEDSA-N 0 3 213.306 0.723 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2ccn(C)n2)CCN1 ZINC000621153384 347416507 /nfs/dbraw/zinc/41/65/07/347416507.db2.gz QVQARUURAXRQTE-NSHDSACASA-N 0 3 236.319 0.490 20 0 BCADHN COCCCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621152472 347409120 /nfs/dbraw/zinc/40/91/20/347409120.db2.gz XPVPMRQBURPNGA-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](CO)NC[C@@](C)(O)C(F)(F)F ZINC000308326205 347363968 /nfs/dbraw/zinc/36/39/68/347363968.db2.gz GECLCUVPMDVILJ-NTSWFWBYSA-N 0 3 201.188 0.270 20 0 BCADHN CC[C@@H](CO)NCc1ccc(OC)nc1 ZINC000166802228 136745486 /nfs/dbraw/zinc/74/54/86/136745486.db2.gz ZMCQPXDMVGNWLL-JTQLQIEISA-N 0 3 210.277 0.951 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)N1CCNCC1 ZINC000019976899 347383404 /nfs/dbraw/zinc/38/34/04/347383404.db2.gz AJMWCUYKBVWZHZ-ZJUUUORDSA-N 0 3 213.325 0.195 20 0 BCADHN NC1(C(=O)NCCc2cccnc2)CCC1 ZINC000088050509 362841048 /nfs/dbraw/zinc/84/10/48/362841048.db2.gz BUPQCHMMBAOURE-UHFFFAOYSA-N 0 3 219.288 0.622 20 0 BCADHN COCC(COC)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000388478872 347423938 /nfs/dbraw/zinc/42/39/38/347423938.db2.gz SURYIUGZKAAWBW-MNOVXSKESA-N 0 3 242.363 0.863 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN[C@]1(CC)CCOC1 ZINC000616866154 347424139 /nfs/dbraw/zinc/42/41/39/347424139.db2.gz RUPMLRLWMGGNLU-NWDGAFQWSA-N 0 3 245.319 0.459 20 0 BCADHN CC1(C)CN([C@H]2CCCCNC2=O)CC[C@H]1O ZINC000301942778 347443788 /nfs/dbraw/zinc/44/37/88/347443788.db2.gz ZWOSXMIMSLGUJV-WDEREUQCSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1ncc(C(=O)N(C)Cc2c[nH]cn2)[nH]1 ZINC000616925823 347457424 /nfs/dbraw/zinc/45/74/24/347457424.db2.gz RGAYNRRCBBQOAF-UHFFFAOYSA-N 0 3 219.248 0.713 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)CCc1c[nH]nn1 ZINC000590606105 347477327 /nfs/dbraw/zinc/47/73/27/347477327.db2.gz YANLWBJVMKJGGU-GLEZIHRCSA-N 0 3 230.337 0.046 20 0 BCADHN COC(=O)[C@@H]1CCC[C@@H]1NCc1n[nH]c(C)n1 ZINC000590754194 347504707 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ZINC000595665201 348301749 /nfs/dbraw/zinc/30/17/49/348301749.db2.gz UUOIGWORLGBZIV-BDAKNGLRSA-N 0 3 233.333 0.660 20 0 BCADHN CC[C@H](CN1C[C@@H](C)N(CCO)C[C@H]1C)OC ZINC000419324806 192121718 /nfs/dbraw/zinc/12/17/18/192121718.db2.gz ATRMOHYRSFDXDO-JHJVBQTASA-N 0 3 244.379 0.798 20 0 BCADHN CSCCN1C[C@H](C)N(CCO)C[C@@H]1C ZINC000419326858 192121878 /nfs/dbraw/zinc/12/18/78/192121878.db2.gz MUDDKOYWPCSZBG-QWRGUYRKSA-N 0 3 232.393 0.736 20 0 BCADHN CCc1ncncc1C(=O)NC[C@H]1CCN(C)C1 ZINC000595706478 348308529 /nfs/dbraw/zinc/30/85/29/348308529.db2.gz JYRLGCHLPCJWEU-SNVBAGLBSA-N 0 3 248.330 0.721 20 0 BCADHN COC(=O)C12CC(C1)CN2C[C@H]1CCCN1C ZINC000595680101 348311386 /nfs/dbraw/zinc/31/13/86/348311386.db2.gz JMXRKMREDWFZAW-QWKFWESOSA-N 0 3 238.331 0.718 20 0 BCADHN COC[C@@](C)(O)CNCc1ccn(C)c1 ZINC000308939872 323182075 /nfs/dbraw/zinc/18/20/75/323182075.db2.gz LVWHPWOVPPYYOZ-NSHDSACASA-N 0 3 212.293 0.512 20 0 BCADHN COC[C@@H](C)CN1CCN(C)C[C@H]1C ZINC000525874469 323182343 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/nfs/dbraw/zinc/12/46/03/192124603.db2.gz VEVAZFHGMVNJEF-STQMWFEESA-N 0 3 244.379 0.800 20 0 BCADHN CC[C@H](C)N(CC(=O)OC)C[C@@H]1CNCCO1 ZINC000595893121 348390982 /nfs/dbraw/zinc/39/09/82/348390982.db2.gz PNYRHWHHLUVTPR-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN CCOC(=O)C[C@H](C)CNC(=O)CNC(C)C ZINC000595956014 348404751 /nfs/dbraw/zinc/40/47/51/348404751.db2.gz GDPKJTKAPBUIQC-JTQLQIEISA-N 0 3 244.335 0.690 20 0 BCADHN CC[C@@H](CCO)NCc1ccnc(OC)n1 ZINC000395117378 323187589 /nfs/dbraw/zinc/18/75/89/323187589.db2.gz FEOYAKHSSDLFFJ-VIFPVBQESA-N 0 3 225.292 0.736 20 0 BCADHN CCS(=O)(=O)NCCN1C[C@H](C)[C@H](C)[C@H]1C ZINC000419371175 192129301 /nfs/dbraw/zinc/12/93/01/192129301.db2.gz KLMJAALBADCCJV-GARJFASQSA-N 0 3 248.392 0.902 20 0 BCADHN CCNC(=O)NC(=O)CN1C[C@H](C)[C@H](C)[C@H]1C ZINC000419394916 192130273 /nfs/dbraw/zinc/13/02/73/192130273.db2.gz PTYGOKRMNWPENH-LPEHRKFASA-N 0 3 241.335 0.808 20 0 BCADHN COCCCCN(C)CC(=O)NCC1CC1 ZINC000419377387 192132277 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/nfs/dbraw/zinc/14/32/46/192143246.db2.gz JMRGXSXAVZFKLU-SNVBAGLBSA-N 0 3 241.335 0.241 20 0 BCADHN CN1CC[C@@]2(CCN(c3ccc(C#N)nn3)C2)C1 ZINC000396910046 349989103 /nfs/dbraw/zinc/98/91/03/349989103.db2.gz HQLNANIGOQQRHO-CYBMUJFWSA-N 0 3 243.314 0.880 20 0 BCADHN CC(C)CCNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000419723800 192144052 /nfs/dbraw/zinc/14/40/52/192144052.db2.gz OVDWOXLBMKFGHU-SNVBAGLBSA-N 0 3 241.335 0.098 20 0 BCADHN CC(C)CCNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000419725351 192144214 /nfs/dbraw/zinc/14/42/14/192144214.db2.gz RSPLIXMKHDEOGH-SNVBAGLBSA-N 0 3 241.335 0.002 20 0 BCADHN C[C@H](CN)N(C)C(=O)C(=O)NC1CCCCC1 ZINC000419722847 192144513 /nfs/dbraw/zinc/14/45/13/192144513.db2.gz NDUPHONWOMOLRG-SECBINFHSA-N 0 3 241.335 0.241 20 0 BCADHN Cc1cccc2ncc(CN[C@H](CO)[C@@H](C)O)n21 ZINC000419797732 192145188 /nfs/dbraw/zinc/14/51/88/192145188.db2.gz VELVUMRKWUNMEH-ZYHUDNBSSA-N 0 3 249.314 0.474 20 0 BCADHN NCCNC(=O)C(=O)N1CC[C@H]1c1ccccc1 ZINC000419821311 192146189 /nfs/dbraw/zinc/14/61/89/192146189.db2.gz UBZMKXFJLPVDCY-NSHDSACASA-N 0 3 247.298 0.035 20 0 BCADHN CCC[C@H](O)[C@H](CO)NCc1ccncc1 ZINC000419830961 192146605 /nfs/dbraw/zinc/14/66/05/192146605.db2.gz UOSJGFCEXYZXDM-RYUDHWBXSA-N 0 3 224.304 0.693 20 0 BCADHN CCC[C@H](O)[C@@H](CO)NCc1cnn(CC)c1 ZINC000419836621 192147037 /nfs/dbraw/zinc/14/70/37/192147037.db2.gz ZLOLJVSXHRWNKO-NEPJUHHUSA-N 0 3 241.335 0.515 20 0 BCADHN CCC[C@@H](O)[C@@H](CO)NCc1cncn1CC ZINC000419825032 192147045 /nfs/dbraw/zinc/14/70/45/192147045.db2.gz PTAJEPDAQDPXFJ-VXGBXAGGSA-N 0 3 241.335 0.515 20 0 BCADHN CN(C)C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000253237921 348581946 /nfs/dbraw/zinc/58/19/46/348581946.db2.gz POZDEOXYIPVPLL-YGOYTEALSA-N 0 3 226.320 0.607 20 0 BCADHN CCCN(CC(C)C)C(=O)C(=O)N[C@@H](C)CN ZINC000420017257 192153097 /nfs/dbraw/zinc/15/30/97/192153097.db2.gz NYXDAFJJMALNBA-JTQLQIEISA-N 0 3 243.351 0.344 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000420012305 192153150 /nfs/dbraw/zinc/15/31/50/192153150.db2.gz IWUYHRYRBNYQQL-BBBLOLIVSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)CN ZINC000420016345 192153321 /nfs/dbraw/zinc/15/33/21/192153321.db2.gz SDTKUKHSIAMPAI-NXEZZACHSA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN ZINC000420020393 192153341 /nfs/dbraw/zinc/15/33/41/192153341.db2.gz SDTKUKHSIAMPAI-UWVGGRQHSA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N1C(=O)C(=O)N[C@H](C)CN ZINC000420018669 192153692 /nfs/dbraw/zinc/15/36/92/192153692.db2.gz YINCIAPUQAAQNF-OPRDCNLKSA-N 0 3 241.335 0.239 20 0 BCADHN CCN(C(=O)C(=O)N[C@H](C)CN)[C@H](C)C(C)C ZINC000420016385 192153773 /nfs/dbraw/zinc/15/37/73/192153773.db2.gz SISYTNOKNKIBLT-NXEZZACHSA-N 0 3 243.351 0.343 20 0 BCADHN CC[C@@]1(C)CCN(C(=O)C(=O)N[C@H](C)CN)C1 ZINC000420020871 192153834 /nfs/dbraw/zinc/15/38/34/192153834.db2.gz GLGNWAMKEDXQSN-SKDRFNHKSA-N 0 3 241.335 0.098 20 0 BCADHN CC(C)[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CN ZINC000419991433 192155175 /nfs/dbraw/zinc/15/51/75/192155175.db2.gz BGZLRGKNGLPVDX-ZJUUUORDSA-N 0 3 241.335 0.097 20 0 BCADHN Cc1cn2cc(NC(=O)[C@@H](C)N)ccc2n1 ZINC000261808505 179567804 /nfs/dbraw/zinc/56/78/04/179567804.db2.gz LORIXQFCOIAGPT-MRVPVSSYSA-N 0 3 218.260 0.928 20 0 BCADHN COC(=O)C1(CNCc2cnc(C)n2C)CC1 ZINC000597086383 348656051 /nfs/dbraw/zinc/65/60/51/348656051.db2.gz OGCKYDVPJLIPSQ-UHFFFAOYSA-N 0 3 237.303 0.771 20 0 BCADHN C[C@H](C[S@](C)=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000597081014 348657885 /nfs/dbraw/zinc/65/78/85/348657885.db2.gz ZIRDPXGHXDRELJ-HFJLCZBOSA-N 0 3 231.361 0.911 20 0 BCADHN C[C@@H](CSCCF)NCC(=O)NC1CC1 ZINC000597129266 348660168 /nfs/dbraw/zinc/66/01/68/348660168.db2.gz DCZARQMKEXQONM-QMMMGPOBSA-N 0 3 234.340 0.946 20 0 BCADHN C[C@@H](C(=O)NC[C@@](C)(O)CCN(C)C)C1CC1 ZINC000420023497 192158779 /nfs/dbraw/zinc/15/87/79/192158779.db2.gz XTESVNQSUAGEHU-MFKMUULPSA-N 0 3 242.363 0.851 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@H]1CCNC1=O ZINC000597171620 348668422 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UHUHRKKFPLXPKQ-VIFPVBQESA-N 0 3 200.282 0.267 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC000216464601 350001553 /nfs/dbraw/zinc/00/15/53/350001553.db2.gz AJOBILXFWLAPCA-JTQLQIEISA-N 0 3 213.325 0.101 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc(CCO)cc1 ZINC000054076091 348878542 /nfs/dbraw/zinc/87/85/42/348878542.db2.gz DRINETLBPUWZCW-VIFPVBQESA-N 0 3 222.288 0.768 20 0 BCADHN CN[C@@H](C)C(=O)NCCCCn1ccnc1 ZINC000054076817 348880304 /nfs/dbraw/zinc/88/03/04/348880304.db2.gz CAYUQEQJYDUMPF-JTQLQIEISA-N 0 3 224.308 0.387 20 0 BCADHN CC[C@@H](C)CN1CCN(CCO)CC1 ZINC000050428249 348887227 /nfs/dbraw/zinc/88/72/27/348887227.db2.gz BPNNRNSLEXVRAT-LLVKDONJSA-N 0 3 200.326 0.642 20 0 BCADHN C[C@@H]1CCN(CCNCc2cnnn2C)C1 ZINC000309661126 490202288 /nfs/dbraw/zinc/20/22/88/490202288.db2.gz AWMDWYATHZTBFH-SNVBAGLBSA-N 0 3 223.324 0.247 20 0 BCADHN CCCC[C@@H](CN)NC(=O)C(=O)N(C)C1CC1 ZINC000420122876 192167957 /nfs/dbraw/zinc/16/79/57/192167957.db2.gz NCOFVJQOXUKUGM-VIFPVBQESA-N 0 3 241.335 0.241 20 0 BCADHN C[C@@H]1C[C@@H](N(C)C(=O)[C@H](O)C2CC2)CCN1C ZINC000669128997 490215300 /nfs/dbraw/zinc/21/53/00/490215300.db2.gz RJFBRHCOXQIZJC-ADEWGFFLSA-N 0 3 240.347 0.698 20 0 BCADHN Cc1cnn(CCN2CCC(O)CC2)c1 ZINC000336468696 179732575 /nfs/dbraw/zinc/73/25/75/179732575.db2.gz BAGQWJILJFYBSZ-UHFFFAOYSA-N 0 3 209.293 0.648 20 0 BCADHN CC(C)[C@H](O)CNC[C@@](C)(O)C(F)(F)F ZINC000308896052 349055672 /nfs/dbraw/zinc/05/56/72/349055672.db2.gz IXJQRJWSPKCVNY-HTQZYQBOSA-N 0 3 229.242 0.906 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)CSC ZINC000054461471 323204724 /nfs/dbraw/zinc/20/47/24/323204724.db2.gz NFVJXKQHRGTROB-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN COC(=O)CCCC(=O)NCC1(N(C)C)CC1 ZINC000420174724 192170432 /nfs/dbraw/zinc/17/04/32/192170432.db2.gz ZBZHOMPGXMKEFG-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN CSC[C@@H]1CCCN1c1nc(N)nc(N)n1 ZINC000599059124 349085611 /nfs/dbraw/zinc/08/56/11/349085611.db2.gz YIANMLVYVCCHLM-LURJTMIESA-N 0 3 240.336 0.029 20 0 BCADHN C[C@@H](C(=O)N(C)[C@@H]1CCCN(C)C1)N(C)C ZINC000078750357 490226355 /nfs/dbraw/zinc/22/63/55/490226355.db2.gz BQRXSRYVKLZASY-WDEREUQCSA-N 0 3 227.352 0.489 20 0 BCADHN CCNC(=O)CN(C)CCCCC(=O)OC ZINC000599267298 349135488 /nfs/dbraw/zinc/13/54/88/349135488.db2.gz ZGTGEFYBNMWOEV-UHFFFAOYSA-N 0 3 230.308 0.398 20 0 BCADHN COCC[C@H](CO)NCc1ccnc(C)c1 ZINC000623514060 362939691 /nfs/dbraw/zinc/93/96/91/362939691.db2.gz YYJMKPPPUUKBRF-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN CCCN(CCCCC(=O)OC)CC(N)=O ZINC000599427048 349185446 /nfs/dbraw/zinc/18/54/46/349185446.db2.gz XFBLJHOTKKTTBE-UHFFFAOYSA-N 0 3 230.308 0.527 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(CC)[C@H](C)CO ZINC000599430102 349187711 /nfs/dbraw/zinc/18/77/11/349187711.db2.gz WGHOPNYOGHGEEB-NXEZZACHSA-N 0 3 233.308 0.003 20 0 BCADHN C[C@H](CN)N(C)Cc1coc(S(C)(=O)=O)c1 ZINC000530211525 323211632 /nfs/dbraw/zinc/21/16/32/323211632.db2.gz MCDYROXKVINWQI-MRVPVSSYSA-N 0 3 246.332 0.462 20 0 BCADHN COC(=O)C1(O)CCN(C[C@@H]2C[C@H]2C)CC1 ZINC000599347917 349155163 /nfs/dbraw/zinc/15/51/63/349155163.db2.gz WYFVWDAFKCHHHZ-ZJUUUORDSA-N 0 3 227.304 0.642 20 0 BCADHN C[C@@H]1CSCCN([C@H]2CCNC2=O)C1 ZINC000249130068 349155960 /nfs/dbraw/zinc/15/59/60/349155960.db2.gz XVQZGAOALNZASV-IUCAKERBSA-N 0 3 214.334 0.560 20 0 BCADHN Cc1ccccc1[C@H](CO)N[C@H](C)CC(N)=O ZINC000532248503 323211884 /nfs/dbraw/zinc/21/18/84/323211884.db2.gz SJHJGLULCANXJZ-PWSUYJOCSA-N 0 3 236.315 0.882 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CC[C@](O)(CC)C1 ZINC000599377097 349162366 /nfs/dbraw/zinc/16/23/66/349162366.db2.gz HLJQSXCNHDXMHU-ZYHUDNBSSA-N 0 3 245.319 0.147 20 0 BCADHN COC(=O)CN1CCN(C[C@H]2C[C@@H]2C)CC1 ZINC000599380156 349163366 /nfs/dbraw/zinc/16/33/66/349163366.db2.gz CIPZEVJGYQJZPV-WDEREUQCSA-N 0 3 226.320 0.433 20 0 BCADHN CCOC(=O)C[C@H](O)CN1[C@H](C)C[C@@H]1C ZINC000599390871 349169409 /nfs/dbraw/zinc/16/94/09/349169409.db2.gz FUQFBDXVVNFSMT-AEJSXWLSSA-N 0 3 215.293 0.783 20 0 BCADHN CC(C)OC[C@H](O)CN[C@H](C)C[S@](C)=O ZINC000252966534 349215999 /nfs/dbraw/zinc/21/59/99/349215999.db2.gz XOQGAWUTJANZIJ-FCHSOHFDSA-N 0 3 237.365 0.129 20 0 BCADHN CC(C)OC[C@@H](O)CN[C@H](C)C[S@](C)=O ZINC000252966536 349216310 /nfs/dbraw/zinc/21/63/10/349216310.db2.gz XOQGAWUTJANZIJ-FTGAXOIBSA-N 0 3 237.365 0.129 20 0 BCADHN COC(=O)[C@]1(OC)CCN(CCOC(C)C)C1 ZINC000599564843 349220020 /nfs/dbraw/zinc/22/00/20/349220020.db2.gz NLPWIDZUNAPDJJ-LBPRGKRZSA-N 0 3 245.319 0.675 20 0 BCADHN COC(=O)[C@]1(OC)CCN(C[C@H]2CCCO2)C1 ZINC000599566647 349220305 /nfs/dbraw/zinc/22/03/05/349220305.db2.gz GWZUVBPWHKYYCE-PWSUYJOCSA-N 0 3 243.303 0.429 20 0 BCADHN CC[C@@H](C)CC(=O)N1CCN(C)C[C@H]1CN ZINC000253269023 349229725 /nfs/dbraw/zinc/22/97/25/349229725.db2.gz ZHGQFIOBXCTBOI-GHMZBOCLSA-N 0 3 227.352 0.524 20 0 BCADHN COC(=O)CCCCN1CCC[C@H]1C(N)=O ZINC000599600775 349231673 /nfs/dbraw/zinc/23/16/73/349231673.db2.gz FCXYADJCNYTVFF-VIFPVBQESA-N 0 3 228.292 0.279 20 0 BCADHN CC[C@@H](C)N1CCN(C[C@@H](C)O)CC1 ZINC000055068857 349202022 /nfs/dbraw/zinc/20/20/22/349202022.db2.gz PNHHASCCQUZDMC-GHMZBOCLSA-N 0 3 200.326 0.783 20 0 BCADHN Cc1n[nH]c(C)c1CN[C@@H](C)C[S@](C)=O ZINC000164281593 179824976 /nfs/dbraw/zinc/82/49/76/179824976.db2.gz JZOOXSQTDCTATL-NZFNHWASSA-N 0 3 229.349 0.883 20 0 BCADHN C/C=C\C[C@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC000599692399 349246263 /nfs/dbraw/zinc/24/62/63/349246263.db2.gz WBTGQATZMULPCR-ZMWSMAPVSA-N 0 3 239.319 0.860 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H](N)C2CCC2)CO1 ZINC000402054060 349278405 /nfs/dbraw/zinc/27/84/05/349278405.db2.gz QOJKLRILSKJDCE-FKTZTGRPSA-N 0 3 212.293 0.407 20 0 BCADHN OCCN1CCCN(C[C@H]2CCCO2)CC1 ZINC000070913817 490249322 /nfs/dbraw/zinc/24/93/22/490249322.db2.gz XCWWRCXOBKWNEP-GFCCVEGCSA-N 0 3 228.336 0.165 20 0 BCADHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(N)=O ZINC000082945406 349344952 /nfs/dbraw/zinc/34/49/52/349344952.db2.gz UTNCOWOYIISQLQ-QEYWKRMJSA-N 0 3 226.320 0.653 20 0 BCADHN CCCCNC(=O)[C@@H](C)N(CC)CCCO ZINC000160727416 349314002 /nfs/dbraw/zinc/31/40/02/349314002.db2.gz ALOIXMSOPUGFGM-LLVKDONJSA-N 0 3 230.352 0.996 20 0 BCADHN CCN(CCCO)[C@H](C)C(=O)NC(C)(C)C ZINC000160725897 349314178 /nfs/dbraw/zinc/31/41/78/349314178.db2.gz JNQCXAMTWLITPS-SNVBAGLBSA-N 0 3 230.352 0.994 20 0 BCADHN CC(C)CN1CCN(CC(=O)N2CCC2)CC1 ZINC000339187041 490256258 /nfs/dbraw/zinc/25/62/58/490256258.db2.gz ANTRCOOANLFOBW-UHFFFAOYSA-N 0 3 239.363 0.492 20 0 BCADHN O=C(CN1CCCCC[C@H]1CCO)N1CCC1 ZINC000342015516 538039827 /nfs/dbraw/zinc/03/98/27/538039827.db2.gz IEGXXLOGMYYSKB-LBPRGKRZSA-N 0 3 240.347 0.846 20 0 BCADHN COC1CCC(C(=O)NCCN(C)C)CC1 ZINC000169999595 538039982 /nfs/dbraw/zinc/03/99/82/538039982.db2.gz IEAGCYULDWOGBY-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NC[C@H](O)C(C)(C)C ZINC000324438463 323234066 /nfs/dbraw/zinc/23/40/66/323234066.db2.gz RYSHBLWHGVMIHV-SCZZXKLOSA-N 0 3 228.336 0.650 20 0 BCADHN NC[C@H](NC(=O)C(=O)c1ccc[nH]1)C(F)(F)F ZINC000623069188 350029557 /nfs/dbraw/zinc/02/95/57/350029557.db2.gz XYIFCVPMRDLFPX-LURJTMIESA-N 0 3 249.192 0.203 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCCOCCF ZINC000663003215 490276620 /nfs/dbraw/zinc/27/66/20/490276620.db2.gz KVTZGHQIWCJRSU-QMMMGPOBSA-N 0 3 218.272 0.087 20 0 BCADHN CCCNC(=O)[C@@H](C)N(C)CC1CC(O)C1 ZINC000084453675 535102056 /nfs/dbraw/zinc/10/20/56/535102056.db2.gz WARAUIMTFXLGNP-KPPDAEKUSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccc(=O)[nH]c1 ZINC000631093281 350056765 /nfs/dbraw/zinc/05/67/65/350056765.db2.gz JNNLQURNWXVWTP-ZETCQYMHSA-N 0 3 209.249 0.141 20 0 BCADHN CC[C@@H](C)CS(=O)(=O)C(C)C(N)=O ZINC000131268300 191009509 /nfs/dbraw/zinc/00/95/09/191009509.db2.gz ORHZDGNLSUIFRA-RQJHMYQMSA-N 0 3 207.295 0.321 20 0 BCADHN COC1CC(C(=O)NC2CCN(C)CC2)C1 ZINC000623529157 362948280 /nfs/dbraw/zinc/94/82/80/362948280.db2.gz XMOABNLGADYLNJ-UHFFFAOYSA-N 0 3 226.320 0.622 20 0 BCADHN COC(=O)C1(CNC2CSC2)CC1 ZINC000393548969 490293417 /nfs/dbraw/zinc/29/34/17/490293417.db2.gz SYIJVJOTECMNKH-UHFFFAOYSA-N 0 3 201.291 0.645 20 0 BCADHN CCc1nc(C(=O)N2CC[C@@H](F)[C@H](N)C2)no1 ZINC000623072864 350104860 /nfs/dbraw/zinc/10/48/60/350104860.db2.gz SAGAXELKBFPRSG-RNFRBKRXSA-N 0 3 242.254 0.143 20 0 BCADHN CCCS(=O)(=O)N1CC[C@H](N(C)C)[C@@H]1C ZINC000390807570 350106961 /nfs/dbraw/zinc/10/69/61/350106961.db2.gz MRRWFMMIPCZUDI-UWVGGRQHSA-N 0 3 234.365 0.751 20 0 BCADHN CCCCOCCCNC(=O)C1(N)CC1 ZINC000083347936 350086265 /nfs/dbraw/zinc/08/62/65/350086265.db2.gz OFNIVESFPNUVDR-UHFFFAOYSA-N 0 3 214.309 0.801 20 0 BCADHN Cc1nc(NCCN(C)C2CC2)cc2nncn21 ZINC000298152534 180017632 /nfs/dbraw/zinc/01/76/32/180017632.db2.gz DMWJIXAREVNYLK-UHFFFAOYSA-N 0 3 246.318 0.939 20 0 BCADHN CC(C)CN1CCN(C(=O)CN(C)C)CC1 ZINC000051763008 350097488 /nfs/dbraw/zinc/09/74/88/350097488.db2.gz WAPKCSKDGHCTGB-UHFFFAOYSA-N 0 3 227.352 0.348 20 0 BCADHN C[C@@H](NC[C@@H]1COCCN1C)c1ccnn1C ZINC000624176766 350128356 /nfs/dbraw/zinc/12/83/56/350128356.db2.gz RTASRUURZADSDQ-GHMZBOCLSA-N 0 3 238.335 0.401 20 0 BCADHN Cc1nnc([C@@H]2CCCN([C@H]3CCNC3=O)C2)[nH]1 ZINC000269259813 180043492 /nfs/dbraw/zinc/04/34/92/180043492.db2.gz CWDZWUHTFCVJBW-ZJUUUORDSA-N 0 3 249.318 0.181 20 0 BCADHN COC[C@H](O)CCN[C@H](C)c1nccnc1C ZINC000219212629 350117848 /nfs/dbraw/zinc/11/78/48/350117848.db2.gz BGZRUNNNFFKVIL-MWLCHTKSSA-N 0 3 239.319 0.833 20 0 BCADHN CC(C(=O)N(C)CC1CC1)S(C)(=O)=O ZINC000055521759 350120074 /nfs/dbraw/zinc/12/00/74/350120074.db2.gz XODBVYOTCTVKNM-ZETCQYMHSA-N 0 3 219.306 0.288 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)C[C@@H]1CCCO1 ZINC000042465703 323250139 /nfs/dbraw/zinc/25/01/39/323250139.db2.gz GREWMQCSEMONAI-VWYCJHECSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)C[C@H]1CCCO1 ZINC000042465705 323250425 /nfs/dbraw/zinc/25/04/25/323250425.db2.gz GREWMQCSEMONAI-MXWKQRLJSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@H]1CCCN1C ZINC000132124998 191025513 /nfs/dbraw/zinc/02/55/13/191025513.db2.gz WSSUOPLWUZODNP-NXEZZACHSA-N 0 3 234.365 0.103 20 0 BCADHN COC(=O)c1cncnc1NC[C@@H](C)N(C)C ZINC000304173554 350147713 /nfs/dbraw/zinc/14/77/13/350147713.db2.gz RVSAVKHHVVVGTR-MRVPVSSYSA-N 0 3 238.291 0.625 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000402300639 350133866 /nfs/dbraw/zinc/13/38/66/350133866.db2.gz JMYMHMHVQKIQPE-HLTSFMKQSA-N 0 3 200.282 0.263 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2ccn[nH]2)[C@@H](C)CN1C ZINC000334145469 538055689 /nfs/dbraw/zinc/05/56/89/538055689.db2.gz LMXWTTSJIQYJRH-ZJUUUORDSA-N 0 3 236.319 0.503 20 0 BCADHN Cc1nc2ccc(N(C)CCN(C)C)nn2n1 ZINC000288333839 180093500 /nfs/dbraw/zinc/09/35/00/180093500.db2.gz JOOYCVJGLGGCIY-UHFFFAOYSA-N 0 3 234.307 0.431 20 0 BCADHN Cc1nc2ccc(NC3CCN(C)CC3)nn2n1 ZINC000281004131 180093648 /nfs/dbraw/zinc/09/36/48/180093648.db2.gz PXJJOLYADBBDGW-UHFFFAOYSA-N 0 3 246.318 0.939 20 0 BCADHN CC(C)[C@@H](CCO)NCC(=O)N(C)C1CC1 ZINC000132393832 191031253 /nfs/dbraw/zinc/03/12/53/191031253.db2.gz GUUOFJDTFHMIBU-LLVKDONJSA-N 0 3 228.336 0.604 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC1CC(C)(C)C1 ZINC000668505659 490340423 /nfs/dbraw/zinc/34/04/23/490340423.db2.gz CDHVGBIYZBAVDT-NXEZZACHSA-N 0 3 247.360 0.577 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCC1(CCO)CC1 ZINC000133147693 191037569 /nfs/dbraw/zinc/03/75/69/191037569.db2.gz LMUOFKGPSCZNHW-JTQLQIEISA-N 0 3 249.376 0.562 20 0 BCADHN COC(=O)C(C)(C)CNC(=O)C1(N)CCC1 ZINC000304549825 350162016 /nfs/dbraw/zinc/16/20/16/350162016.db2.gz UMKUYVIJFCRAES-UHFFFAOYSA-N 0 3 228.292 0.183 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000304523161 350162037 /nfs/dbraw/zinc/16/20/37/350162037.db2.gz FRCLEYPXMACEEP-XPUUQOCRSA-N 0 3 240.225 0.120 20 0 BCADHN Cc1nc2ccccc2n1CCNC(=O)[C@@H](C)N ZINC000040828694 180103503 /nfs/dbraw/zinc/10/35/03/180103503.db2.gz BQXXOLKOCCLYNI-SECBINFHSA-N 0 3 246.314 0.808 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CCC[C@]1(C)CO ZINC000427006351 191050175 /nfs/dbraw/zinc/05/01/75/191050175.db2.gz CEDCOGFDUUMBTP-WCQYABFASA-N 0 3 242.363 0.996 20 0 BCADHN CO[C@@H]1CN(CCCc2cncn2C)C[C@H]1O ZINC000314576487 350173580 /nfs/dbraw/zinc/17/35/80/350173580.db2.gz NKGUTWLCKZUEKT-VXGBXAGGSA-N 0 3 239.319 0.044 20 0 BCADHN CCC(C)(C)NC(=O)NCCNCCOC ZINC000396003263 323281833 /nfs/dbraw/zinc/28/18/33/323281833.db2.gz MWNGJSRRTFKKRR-UHFFFAOYSA-N 0 3 231.340 0.710 20 0 BCADHN CC(C)CO[C@H]1CCN(C(=O)C2(N)CC2)C1 ZINC000236640305 191059836 /nfs/dbraw/zinc/05/98/36/191059836.db2.gz HYEHLZWQNKRKKS-JTQLQIEISA-N 0 3 226.320 0.751 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)CN)CCS1 ZINC000236787411 191060655 /nfs/dbraw/zinc/06/06/55/191060655.db2.gz CRZPNAARTPHILO-QMMMGPOBSA-N 0 3 202.323 0.545 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000236783945 191060993 /nfs/dbraw/zinc/06/09/93/191060993.db2.gz ZEPUNXCNKNUYGU-YTWAJWBKSA-N 0 3 240.347 0.899 20 0 BCADHN Cc1ncc(CN[C@@H](C)[C@@H](C)CO)cn1 ZINC000336770733 180155162 /nfs/dbraw/zinc/15/51/62/180155162.db2.gz WXAXIFMXDKACIN-IUCAKERBSA-N 0 3 209.293 0.892 20 0 BCADHN CC(C)N1CCN(C(=O)C(C)(C)N)CC1 ZINC000040920919 191062777 /nfs/dbraw/zinc/06/27/77/191062777.db2.gz JPAKYEDIDHRTPJ-UHFFFAOYSA-N 0 3 213.325 0.276 20 0 BCADHN CC(C)(N)C(=O)NCCCOCC1CC1 ZINC000040920676 191062784 /nfs/dbraw/zinc/06/27/84/191062784.db2.gz HNVZVFGZDGEKSK-UHFFFAOYSA-N 0 3 214.309 0.657 20 0 BCADHN Cc1ncc(C[NH2+][C@H]2CCO[C@H]2C)c(=O)[n-]1 ZINC000309943471 180158485 /nfs/dbraw/zinc/15/84/85/180158485.db2.gz CMRYOQTTXHGPIP-XVKPBYJWSA-N 0 3 223.276 0.758 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)s1 ZINC000226709408 180172138 /nfs/dbraw/zinc/17/21/38/180172138.db2.gz XJCSTJJXIYGVFY-SSDOTTSWSA-N 0 3 247.345 0.092 20 0 BCADHN Cc1ncc([C@@H](C)NCCOCCO)c(C)n1 ZINC000159123710 180172152 /nfs/dbraw/zinc/17/21/52/180172152.db2.gz RPGIJHMIHAHECB-SECBINFHSA-N 0 3 239.319 0.753 20 0 BCADHN Cc1ncc(CNC(C)(C)CC(N)=O)cn1 ZINC000309722197 180150032 /nfs/dbraw/zinc/15/00/32/180150032.db2.gz WKOFFZJWGXKOPW-UHFFFAOYSA-N 0 3 222.292 0.529 20 0 BCADHN Cc1ncc(CNC2(CC(N)=O)CCC2)cn1 ZINC000354982565 180150693 /nfs/dbraw/zinc/15/06/93/180150693.db2.gz QMIGRPSSUWAWBO-UHFFFAOYSA-N 0 3 234.303 0.673 20 0 BCADHN Cc1ncc(C[NH2+]C2CCC(O)CC2)c(=O)[n-]1 ZINC000353668951 180150790 /nfs/dbraw/zinc/15/07/90/180150790.db2.gz GYBLZARCWBEHJK-UHFFFAOYSA-N 0 3 237.303 0.884 20 0 BCADHN Cc1ncc(CNC[C@@H](CO)C2CC2)cn1 ZINC000309725597 180151422 /nfs/dbraw/zinc/15/14/22/180151422.db2.gz XUMUDOBZFBPBOR-LBPRGKRZSA-N 0 3 221.304 0.893 20 0 BCADHN Cc1ncc(CNC[C@]2(O)CCSC2)cn1 ZINC000336750313 180152776 /nfs/dbraw/zinc/15/27/76/180152776.db2.gz ZNBOBEHWPPNJNF-LLVKDONJSA-N 0 3 239.344 0.743 20 0 BCADHN CCN(CC)CC(=O)N(C)C[C@H](O)C1CC1 ZINC000304936270 490389309 /nfs/dbraw/zinc/38/93/09/490389309.db2.gz JBMIPEOKNJVPQA-NSHDSACASA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000637147743 350220287 /nfs/dbraw/zinc/22/02/87/350220287.db2.gz YTSXYLNEKSVMKU-ZRUFSTJUSA-N 0 3 243.351 0.802 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCC[C@H]2O)C[C@@H](CO)O1 ZINC000230002488 490379917 /nfs/dbraw/zinc/37/99/17/490379917.db2.gz JNBUBDRTVRPCML-WRWGMCAJSA-N 0 3 229.320 0.372 20 0 BCADHN C[C@H]1CCCCN1CCNC(=O)C(C)(C)O ZINC000427511797 191078709 /nfs/dbraw/zinc/07/87/09/191078709.db2.gz NOECOJAGNCIFLD-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN Cc1nccc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)n1 ZINC000352854799 180186191 /nfs/dbraw/zinc/18/61/91/180186191.db2.gz AJNGIOGIYHUXAL-WCFLWFBJSA-N 0 3 233.315 0.988 20 0 BCADHN Cc1ncccc1CC(=O)NC[C@@H](C)N(C)C ZINC000285072077 180216636 /nfs/dbraw/zinc/21/66/36/180216636.db2.gz HOMIGZIGPIVBCI-SNVBAGLBSA-N 0 3 235.331 0.999 20 0 BCADHN Cc1ncccc1CNC[C@H]1COCCO1 ZINC000309307211 180222731 /nfs/dbraw/zinc/22/27/31/180222731.db2.gz ZNPWMGYVXAILDO-LBPRGKRZSA-N 0 3 222.288 0.895 20 0 BCADHN Cc1ncccc1CN[C@H](C)CC(N)=O ZINC000127461407 180222977 /nfs/dbraw/zinc/22/29/77/180222977.db2.gz XZDGNXNWHUITMU-MRVPVSSYSA-N 0 3 207.277 0.744 20 0 BCADHN Cc1ncccc1CNC[C@@H]1COCCO1 ZINC000309307210 180223609 /nfs/dbraw/zinc/22/36/09/180223609.db2.gz ZNPWMGYVXAILDO-GFCCVEGCSA-N 0 3 222.288 0.895 20 0 BCADHN Cc1ncccc1NC(=O)C[C@@H]1CNCCO1 ZINC000091496992 180224878 /nfs/dbraw/zinc/22/48/78/180224878.db2.gz ZXSVENYRIYQQOS-SNVBAGLBSA-N 0 3 235.287 0.707 20 0 BCADHN CNC(=O)NC(=O)CN(C)C1CCCCC1 ZINC000007445223 350234981 /nfs/dbraw/zinc/23/49/81/350234981.db2.gz YTQHKBKWJRRUDJ-UHFFFAOYSA-N 0 3 227.308 0.707 20 0 BCADHN Cc1cc(NC(=O)[C@H](N)CC(F)F)nn1C ZINC000309242679 350235998 /nfs/dbraw/zinc/23/59/98/350235998.db2.gz XGFKWFPBGQKQNA-ZCFIWIBFSA-N 0 3 232.234 0.650 20 0 BCADHN Cc1nccn1CCCCNCc1cnn(C)n1 ZINC000293726408 180236194 /nfs/dbraw/zinc/23/61/94/180236194.db2.gz YVRUBQPQLCFOPU-UHFFFAOYSA-N 0 3 248.334 0.890 20 0 BCADHN Cc1nccn1CCCN(C)C(=O)CN(C)C ZINC000153977119 180237574 /nfs/dbraw/zinc/23/75/74/180237574.db2.gz HYETZPWSSUNOFD-UHFFFAOYSA-N 0 3 238.335 0.602 20 0 BCADHN Cc1nccn1CCN(C)CC(=O)NC(C)C ZINC000270657724 180247012 /nfs/dbraw/zinc/24/70/12/180247012.db2.gz NTVLMVDCMKHMPJ-UHFFFAOYSA-N 0 3 238.335 0.648 20 0 BCADHN CC[C@H](O)CNCc1ccc(OC)cn1 ZINC000571672230 323314583 /nfs/dbraw/zinc/31/45/83/323314583.db2.gz VFPIOAPBOHNGHF-JTQLQIEISA-N 0 3 210.277 0.951 20 0 BCADHN Cc1nccn1CCN(C)[C@@H]1CCNC1=O ZINC000346170343 180249018 /nfs/dbraw/zinc/24/90/18/180249018.db2.gz RCWCFKJIXBZYLQ-SNVBAGLBSA-N 0 3 222.292 0.012 20 0 BCADHN Cc1nccn1CCN(C)[C@H](C)C[S@@](C)=O ZINC000274463196 180249315 /nfs/dbraw/zinc/24/93/15/180249315.db2.gz MUAUPHKHXVHBQW-QLJPJBMISA-N 0 3 243.376 0.890 20 0 BCADHN Cc1nccn1CCN(CC(N)=O)C(C)(C)C ZINC000270852550 180249613 /nfs/dbraw/zinc/24/96/13/180249613.db2.gz IEGKVXHQXXYFHD-UHFFFAOYSA-N 0 3 238.335 0.777 20 0 BCADHN Cc1nccn1CCN1CCn2c(n[nH]c2=O)C1 ZINC000329991944 180256146 /nfs/dbraw/zinc/25/61/46/180256146.db2.gz KCLRKGUECYGCPF-UHFFFAOYSA-N 0 3 248.290 0.004 20 0 BCADHN Cc1nccn1CCNC(=O)[C@H]1CCCCN1 ZINC000261544350 180258613 /nfs/dbraw/zinc/25/86/13/180258613.db2.gz DTRMKMPOJUJPAA-LLVKDONJSA-N 0 3 236.319 0.450 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000402390435 350252815 /nfs/dbraw/zinc/25/28/15/350252815.db2.gz SYUKRSFMEKCVGL-CIUDSAMLSA-N 0 3 232.349 0.360 20 0 BCADHN Cc1nccnc1CCNCc1cnn(C)c1 ZINC000292921403 180272782 /nfs/dbraw/zinc/27/27/82/180272782.db2.gz GFPWFVRJODYRJO-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1ccc(N)nc1 ZINC000309293031 350268741 /nfs/dbraw/zinc/26/87/41/350268741.db2.gz QTANGCXIBWKXAV-VIFPVBQESA-N 0 3 208.265 0.586 20 0 BCADHN Cc1nccn1C[C@H](C)CNC(=O)[C@@H](C)N ZINC000237423554 180265313 /nfs/dbraw/zinc/26/53/13/180265313.db2.gz UCUYZQJYTFDGJW-RKDXNWHRSA-N 0 3 224.308 0.291 20 0 BCADHN CC(C)CN1CCN(CC(=O)NC2CC2)CC1 ZINC000049969092 350269648 /nfs/dbraw/zinc/26/96/48/350269648.db2.gz XWRGWFGKXNEIOS-UHFFFAOYSA-N 0 3 239.363 0.539 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](CO)[C@@H]1C ZINC000427824568 191092702 /nfs/dbraw/zinc/09/27/02/191092702.db2.gz HZFNMNJMTSKWFC-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@H](CO)[C@@H]1C ZINC000427840334 191094314 /nfs/dbraw/zinc/09/43/14/191094314.db2.gz WFRCFVIEEFTGHS-WDEREUQCSA-N 0 3 228.336 0.556 20 0 BCADHN CCC[C@](C)(N)C(=O)NCc1nc(C)no1 ZINC000038035060 350300139 /nfs/dbraw/zinc/30/01/39/350300139.db2.gz BERFKNJJXKLBNA-JTQLQIEISA-N 0 3 226.280 0.512 20 0 BCADHN CN(C(=O)C(C)(C)O)[C@H]1CCN(C2CC2)C1 ZINC000427844640 191095102 /nfs/dbraw/zinc/09/51/02/191095102.db2.gz VUFPVSVEWMHEDC-JTQLQIEISA-N 0 3 226.320 0.452 20 0 BCADHN Cc1ncncc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000263908573 180294325 /nfs/dbraw/zinc/29/43/25/180294325.db2.gz APVWYBZEKWZIRW-SECBINFHSA-N 0 3 248.330 0.998 20 0 BCADHN O=S1(=O)CCC[C@@H](NCCc2ccco2)C1 ZINC000068939824 350313953 /nfs/dbraw/zinc/31/39/53/350313953.db2.gz GFYGDWAUJCTYFF-SNVBAGLBSA-N 0 3 243.328 0.989 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@@H](C)C(N)=O)C12CCC2 ZINC000083684761 350289751 /nfs/dbraw/zinc/28/97/51/350289751.db2.gz KGLYYHPYOUHFSE-LPEHRKFASA-N 0 3 226.320 0.798 20 0 BCADHN CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000050460592 350342937 /nfs/dbraw/zinc/34/29/37/350342937.db2.gz CSFMDDDQYCZAOA-ZJUUUORDSA-N 0 3 233.271 0.332 20 0 BCADHN Cc1cc(CNC[C@@H]2CNc3ccnn3C2)[nH]n1 ZINC000606470618 350344853 /nfs/dbraw/zinc/34/48/53/350344853.db2.gz JLYSHZGTPOJZFB-SNVBAGLBSA-N 0 3 246.318 0.746 20 0 BCADHN CNC(=O)c1ccc(CN(C)CCCO)cc1 ZINC000050506894 350349527 /nfs/dbraw/zinc/34/95/27/350349527.db2.gz FSNFMDNBQRRRAQ-UHFFFAOYSA-N 0 3 236.315 0.860 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C(=O)NC[C@H]1CCCN1C ZINC000332932033 350361525 /nfs/dbraw/zinc/36/15/25/350361525.db2.gz GVQNWRMUGRCWNP-GMTAPVOTSA-N 0 3 241.335 0.245 20 0 BCADHN CNS(=O)(=O)CCN1C[C@H](C)CC(C)(C)C1 ZINC000621276845 350363413 /nfs/dbraw/zinc/36/34/13/350363413.db2.gz VIYXQYCWRSYAGR-SNVBAGLBSA-N 0 3 248.392 0.904 20 0 BCADHN C[C@@H](NC(=O)NC[C@H]1CCCN1C)C(C)(C)O ZINC000606658469 350405611 /nfs/dbraw/zinc/40/56/11/350405611.db2.gz IJXZZATVZVXQAG-NXEZZACHSA-N 0 3 243.351 0.539 20 0 BCADHN COCCOC[C@H](O)CN[C@H]1CCC[C@H]1F ZINC000563953092 323333806 /nfs/dbraw/zinc/33/38/06/323333806.db2.gz ZFACNSRKMSZADU-MXWKQRLJSA-N 0 3 235.299 0.491 20 0 BCADHN CCCN1CC[C@H](NC(=O)NC2(C)COC2)C1 ZINC000637282095 350391691 /nfs/dbraw/zinc/39/16/91/350391691.db2.gz CIRZYWPLSRCQME-JTQLQIEISA-N 0 3 241.335 0.559 20 0 BCADHN CCOC(=O)C[C@@H](O)CN[C@H]1CCOC1(C)C ZINC000328197203 350392270 /nfs/dbraw/zinc/39/22/70/350392270.db2.gz DAIRSEQOXQZWGR-ZJUUUORDSA-N 0 3 245.319 0.458 20 0 BCADHN CC1(C)OCC[C@@H]1N[C@@H]1CCCS(=O)(=O)C1 ZINC000328259560 350395016 /nfs/dbraw/zinc/39/50/16/350395016.db2.gz RDIMTJVVSZUJKM-ZJUUUORDSA-N 0 3 247.360 0.721 20 0 BCADHN CCN1CC[C@H](NC[C@H](O)C(F)(F)F)C1 ZINC000328463669 350397902 /nfs/dbraw/zinc/39/79/02/350397902.db2.gz IJVRJTZCGRHTDJ-YUMQZZPRSA-N 0 3 226.242 0.593 20 0 BCADHN C[C@H]1C[C@H](NC(=O)CC(F)(F)CN)CCN1C ZINC000563968687 323335076 /nfs/dbraw/zinc/33/50/76/323335076.db2.gz NLUBNVULLMMQND-DTWKUNHWSA-N 0 3 249.305 0.569 20 0 BCADHN CC[C@@H](COC)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000606650281 350401872 /nfs/dbraw/zinc/40/18/72/350401872.db2.gz GWVHCVYSUACTTK-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CO[C@H]1CCC[C@@H]1CNC(=O)[C@H](N)C(C)C ZINC000427937227 191101963 /nfs/dbraw/zinc/10/19/63/191101963.db2.gz XHDXXXCZCFVWQE-OUAUKWLOSA-N 0 3 228.336 0.901 20 0 BCADHN Cc1nn(C)c(C)c1CNCC(C)(C)O ZINC000082419208 180339183 /nfs/dbraw/zinc/33/91/83/180339183.db2.gz VAXRRANWUGXRNY-UHFFFAOYSA-N 0 3 211.309 0.897 20 0 BCADHN Cc1nn(C)c2ncc(CNC[C@@H](C)O)cc12 ZINC000070165182 180364604 /nfs/dbraw/zinc/36/46/04/180364604.db2.gz IKKLNXBGJKJKOF-MRVPVSSYSA-N 0 3 234.303 0.747 20 0 BCADHN CN(C)[C@@H](CNCCC(N)=O)c1cccs1 ZINC000309425528 350452770 /nfs/dbraw/zinc/45/27/70/350452770.db2.gz FGBAOVNAADXSOQ-VIFPVBQESA-N 0 3 241.360 0.816 20 0 BCADHN Cc1nn(C)cc1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262794975 180367852 /nfs/dbraw/zinc/36/78/52/180367852.db2.gz OCADNKPTAXKMBN-WPRPVWTQSA-N 0 3 236.319 0.551 20 0 BCADHN CCCNC(=O)CN(C)CCN1CCCC1 ZINC000127618262 490550856 /nfs/dbraw/zinc/55/08/56/490550856.db2.gz NNHMJEMTVKZVLB-UHFFFAOYSA-N 0 3 227.352 0.540 20 0 BCADHN Cc1nn(C)cc1CN[C@H]1C[C@@H](O)C1(C)C ZINC000163465356 180376284 /nfs/dbraw/zinc/37/62/84/180376284.db2.gz WTIGVVIDMSVCOQ-WDEREUQCSA-N 0 3 223.320 0.978 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC(=O)C1(N)CC1 ZINC000353625472 180377400 /nfs/dbraw/zinc/37/74/00/180377400.db2.gz AERFNEMLWAHEEJ-SSDOTTSWSA-N 0 3 222.292 0.397 20 0 BCADHN CC1(C)CN(C[C@@H]2CCCOC2)C[C@H](CO)O1 ZINC000336725117 350481369 /nfs/dbraw/zinc/48/13/69/350481369.db2.gz OBTHPSNTMJMMCI-NWDGAFQWSA-N 0 3 243.347 0.885 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NC[C@H](O)CN(C)C ZINC000361231223 180382142 /nfs/dbraw/zinc/38/21/42/180382142.db2.gz SIFAQXQPQBOXCZ-ONGXEEELSA-N 0 3 240.351 0.302 20 0 BCADHN CN(C)C1CC(NC(=O)C(=O)c2cccn2C)C1 ZINC000622007582 370659381 /nfs/dbraw/zinc/65/93/81/370659381.db2.gz FWVGRYFIPONBPU-UHFFFAOYSA-N 0 3 249.314 0.417 20 0 BCADHN CON(C)C(=O)C1(N)Cc2ccccc2C1 ZINC000163237003 350510512 /nfs/dbraw/zinc/51/05/12/350510512.db2.gz CGNUSXDTKDYRQZ-UHFFFAOYSA-N 0 3 220.272 0.503 20 0 BCADHN CCN(CCOC)C[C@@H](O)COC(C)C ZINC000070190912 350512619 /nfs/dbraw/zinc/51/26/19/350512619.db2.gz SYOHCBXAQXLENH-LLVKDONJSA-N 0 3 219.325 0.741 20 0 BCADHN COCCCNC(=O)CN(C)C[C@@H](C)COC ZINC000177074488 365963796 /nfs/dbraw/zinc/96/37/96/365963796.db2.gz LTXFDRRWDXSLTF-LLVKDONJSA-N 0 3 246.351 0.353 20 0 BCADHN C[C@H](CCO)N(C)C(=O)NC[C@H]1CCCN1C ZINC000637379160 350503892 /nfs/dbraw/zinc/50/38/92/350503892.db2.gz FLDUEWZFEQQPIM-GHMZBOCLSA-N 0 3 243.351 0.493 20 0 BCADHN C[C@@H](F)CCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000577505049 365972126 /nfs/dbraw/zinc/97/21/26/365972126.db2.gz BYHOAVJSXCYADI-UTLUCORTSA-N 0 3 204.289 0.341 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000577490965 365966502 /nfs/dbraw/zinc/96/65/02/365966502.db2.gz AWDFNOVCBNZISV-DJLDLDEBSA-N 0 3 228.292 0.182 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)[C@H]1CCOC1)N(C)C ZINC000163419234 350520793 /nfs/dbraw/zinc/52/07/93/350520793.db2.gz AJFHGFSINFZZPZ-QWRGUYRKSA-N 0 3 228.336 0.820 20 0 BCADHN Cc1nnc(CCN[C@H]2CCOC2)s1 ZINC000336663232 180402082 /nfs/dbraw/zinc/40/20/82/180402082.db2.gz UILJOBPTSOFREE-QMMMGPOBSA-N 0 3 213.306 0.768 20 0 BCADHN CC(C)(O)CN1CCN([C@@H]2CCOC2)CC1 ZINC000070601423 350547423 /nfs/dbraw/zinc/54/74/23/350547423.db2.gz MYMMFGGYINSNRL-LLVKDONJSA-N 0 3 228.336 0.164 20 0 BCADHN CCCNC(=O)CN[C@@H](CC)COC ZINC000070623873 350548276 /nfs/dbraw/zinc/54/82/76/350548276.db2.gz CVPBVFDXTRGHLR-VIFPVBQESA-N 0 3 202.298 0.527 20 0 BCADHN CC[C@@H](COC)NCC(=O)NC(C)(C)C ZINC000070625562 350555817 /nfs/dbraw/zinc/55/58/17/350555817.db2.gz VDNGSZYCLUAUOB-VIFPVBQESA-N 0 3 216.325 0.916 20 0 BCADHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N(C)C ZINC000309476347 350563469 /nfs/dbraw/zinc/56/34/69/350563469.db2.gz RUZHQWIGRDCKKD-BDAKNGLRSA-N 0 3 228.292 0.006 20 0 BCADHN C[C@H]1CCN(CC(=O)NCCn2cccn2)C1 ZINC000577526720 365978503 /nfs/dbraw/zinc/97/85/03/365978503.db2.gz DLJGYPRYXOLCMI-NSHDSACASA-N 0 3 236.319 0.341 20 0 BCADHN O=C1CCC[C@H](CNC2CSC2)N1 ZINC000306869269 490647663 /nfs/dbraw/zinc/64/76/63/490647663.db2.gz SNLUEZDBTCOAHK-SSDOTTSWSA-N 0 3 200.307 0.360 20 0 BCADHN CN1CCC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000606842116 350617401 /nfs/dbraw/zinc/61/74/01/350617401.db2.gz ITYAKUAJQPYQOP-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CCc1cc(N2CCN[C@@H](C)C2)n2ncnc2n1 ZINC000420198752 192173287 /nfs/dbraw/zinc/17/32/87/192173287.db2.gz MDMTYTDTGSPUAG-VIFPVBQESA-N 0 3 246.318 0.485 20 0 BCADHN CCCCN(C)CCNC(=O)c1ccnnc1 ZINC000131681814 490652068 /nfs/dbraw/zinc/65/20/68/490652068.db2.gz STWCTAJCFYIDDJ-UHFFFAOYSA-N 0 3 236.319 0.938 20 0 BCADHN CN(C)C(=O)CC(=O)NC[C@H](N)c1ccccc1 ZINC000152043591 191114475 /nfs/dbraw/zinc/11/44/75/191114475.db2.gz WOBGTAIISGQIBO-NSHDSACASA-N 0 3 249.314 0.281 20 0 BCADHN C[C@H]1C[C@H](NC(=O)N(C)C)CN1C1CC1 ZINC000177199527 365985150 /nfs/dbraw/zinc/98/51/50/365985150.db2.gz VGYAPWUOBAOEDM-IUCAKERBSA-N 0 3 211.309 0.883 20 0 BCADHN Cc1ccc(CNC[C@H]2COCCN2C)nc1 ZINC000623711689 362976980 /nfs/dbraw/zinc/97/69/80/362976980.db2.gz MJJGAZYIODJXBE-ZDUSSCGKSA-N 0 3 235.331 0.810 20 0 BCADHN CC[C@@H](C(=O)N[C@H](CO)C1CCC1)N(C)C ZINC000617308836 350716705 /nfs/dbraw/zinc/71/67/05/350716705.db2.gz URXCSPAVXWOCSN-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN CCN(C)CCNC(=O)CCCn1cccn1 ZINC000051469738 350746105 /nfs/dbraw/zinc/74/61/05/350746105.db2.gz KMJCXUGMLGFBMV-UHFFFAOYSA-N 0 3 238.335 0.731 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@@H](N)C(C)C)n1 ZINC000353566679 180495548 /nfs/dbraw/zinc/49/55/48/180495548.db2.gz RLSLNPNLJCSMGG-SVRRBLITSA-N 0 3 226.280 0.539 20 0 BCADHN CC[C@@H](O)CN1CCC(O)(C(F)F)CC1 ZINC000339098311 350733008 /nfs/dbraw/zinc/73/30/08/350733008.db2.gz BAEKPBNYLNEDAF-MRVPVSSYSA-N 0 3 223.263 0.849 20 0 BCADHN C[C@@H](O)CN1CCC(N2CCOC[C@@H]2C)CC1 ZINC000563362797 350824582 /nfs/dbraw/zinc/82/45/82/350824582.db2.gz BZHJMQWTRIRZKL-NWDGAFQWSA-N 0 3 242.363 0.552 20 0 BCADHN CCN(CCO)CCNC(=O)NCC(C)(C)F ZINC000637598332 350772902 /nfs/dbraw/zinc/77/29/02/350772902.db2.gz ZSJAYZFEWDOKOA-UHFFFAOYSA-N 0 3 249.330 0.348 20 0 BCADHN 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ITIXMXYTMFBKOJ-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CO[C@@]1(CN(C)[C@H]2CCOC2)CCOC1 ZINC000638029609 351910376 /nfs/dbraw/zinc/91/03/76/351910376.db2.gz YNEPLDSQZKDHFZ-WDEREUQCSA-N 0 3 215.293 0.513 20 0 BCADHN CCN[C@H](C)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000638031624 351913525 /nfs/dbraw/zinc/91/35/25/351913525.db2.gz RSKMUTYOVCDDPH-ZJUUUORDSA-N 0 3 241.335 0.098 20 0 BCADHN CCN[C@H](C)C(=O)NCc1nccn1C(F)F ZINC000638086866 351964199 /nfs/dbraw/zinc/96/41/99/351964199.db2.gz KUORPPAIKVWKLK-SSDOTTSWSA-N 0 3 246.261 0.892 20 0 BCADHN Cn1cc(CN[C@H]2COC[C@@H]2C2CC2)cn1 ZINC000725269933 538101734 /nfs/dbraw/zinc/10/17/34/538101734.db2.gz UCPKFISNTDCSGR-NEPJUHHUSA-N 0 3 221.304 0.935 20 0 BCADHN CC(C)(N)C(=O)NCC(=O)NC1CCCCC1 ZINC000083884251 351970949 /nfs/dbraw/zinc/97/09/49/351970949.db2.gz NYSVDCSVWSLVJV-UHFFFAOYSA-N 0 3 241.335 0.289 20 0 BCADHN COCCNCCNC(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000638151474 352011926 /nfs/dbraw/zinc/01/19/26/352011926.db2.gz CVHSDISSMYUSKA-OUAUKWLOSA-N 0 3 244.335 0.152 20 0 BCADHN C[C@@H]1CCN(Cc2cnc(N)nc2N)C[C@H]1C ZINC000638094296 351973875 /nfs/dbraw/zinc/97/38/75/351973875.db2.gz ZNDTYRBKYSUFAQ-RKDXNWHRSA-N 0 3 235.335 0.780 20 0 BCADHN CC[C@H](C)[C@@H](CN1C[C@@H](O)[C@@H](O)C1)OC ZINC000638094535 351974493 /nfs/dbraw/zinc/97/44/93/351974493.db2.gz IXGQDJCNCOMJPD-UKKRHICBSA-N 0 3 217.309 0.085 20 0 BCADHN CCN[C@H](C)C(=O)N(C)CCn1cccn1 ZINC000638113431 351990058 /nfs/dbraw/zinc/99/00/58/351990058.db2.gz BOFUNBSKZAXJLV-SNVBAGLBSA-N 0 3 224.308 0.340 20 0 BCADHN Cn1cc([C@@H](CO)NCC2(O)CCCC2)cn1 ZINC000331175071 180664469 /nfs/dbraw/zinc/66/44/69/180664469.db2.gz PLJZEJMHBSUQIA-LLVKDONJSA-N 0 3 239.319 0.348 20 0 BCADHN O[C@H](CNCc1ccco1)[C@H]1CCCO1 ZINC000527759094 323680533 /nfs/dbraw/zinc/68/05/33/323680533.db2.gz MWRXXKNULCBYPD-GHMZBOCLSA-N 0 3 211.261 0.909 20 0 BCADHN CN(C)C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638153635 352013374 /nfs/dbraw/zinc/01/33/74/352013374.db2.gz QQUZMDVIWSBKBY-GFCCVEGCSA-N 0 3 235.331 0.534 20 0 BCADHN CC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000374322139 187561595 /nfs/dbraw/zinc/56/15/95/187561595.db2.gz BVRCTKUZUYTXAS-DGCLKSJQSA-N 0 3 239.363 0.491 20 0 BCADHN CC(C)(N)C(=O)Nn1cnc2ccccc21 ZINC000236821196 191144930 /nfs/dbraw/zinc/14/49/30/191144930.db2.gz ISWXCMNMJXJQSM-UHFFFAOYSA-N 0 3 218.260 0.844 20 0 BCADHN CO[C@@](C)(CN(C)[C@@H]1CCNC1=O)C1CC1 ZINC000638180403 352044222 /nfs/dbraw/zinc/04/42/22/352044222.db2.gz CZTZQZORJXHESB-PWSUYJOCSA-N 0 3 226.320 0.622 20 0 BCADHN CN(CCN1C[C@H]2CC[C@@H](C1)O2)C1CC(O)C1 ZINC000353488088 352056616 /nfs/dbraw/zinc/05/66/16/352056616.db2.gz NLNZFISLFVTICW-BPNZPQAUSA-N 0 3 240.347 0.305 20 0 BCADHN C[C@H](C(=O)NCc1ccc2c(c1)CNC2)N(C)C ZINC000638194830 352057246 /nfs/dbraw/zinc/05/72/46/352057246.db2.gz ISWMOVOGUVKXSH-SNVBAGLBSA-N 0 3 247.342 0.856 20 0 BCADHN O=C(N[C@H]1CCC[NH2+]CC1)c1cc(=O)[n-]cn1 ZINC000638194409 352057307 /nfs/dbraw/zinc/05/73/07/352057307.db2.gz ADQXRRJJJLQQDD-QMMMGPOBSA-N 0 3 236.275 0.054 20 0 BCADHN O=C(NCc1ccc2c(c1)CNC2)[C@H]1C[C@@H](O)C1 ZINC000638195232 352058195 /nfs/dbraw/zinc/05/81/95/352058195.db2.gz UPWJZYOBQXFXBO-BJHJDKERSA-N 0 3 246.310 0.677 20 0 BCADHN CNc1cnc(C(=O)N2CCN[C@H](C)[C@H]2C)cn1 ZINC000638203312 352064179 /nfs/dbraw/zinc/06/41/79/352064179.db2.gz DVKRBKKZMQVNHT-RKDXNWHRSA-N 0 3 249.318 0.341 20 0 BCADHN C[C@@H]1NCCN(C(=O)[C@@H]2CCCCN2C)[C@H]1C ZINC000638202889 352064356 /nfs/dbraw/zinc/06/43/56/352064356.db2.gz BRTNAXGUJXZYSD-SRVKXCTJSA-N 0 3 239.363 0.680 20 0 BCADHN Cc1nc[nH]c1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000638204191 352065626 /nfs/dbraw/zinc/06/56/26/352065626.db2.gz JOQBKDZUOIONFZ-IONNQARKSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1conc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000638205257 352067242 /nfs/dbraw/zinc/06/72/42/352067242.db2.gz OFCNBSPVCNDWLG-DTWKUNHWSA-N 0 3 223.276 0.805 20 0 BCADHN CC[C@H](C(=O)N1CCN[C@H](C)[C@H]1C)N(C)C ZINC000638205596 352067665 /nfs/dbraw/zinc/06/76/65/352067665.db2.gz IMDBGFYVUKRMFP-GMTAPVOTSA-N 0 3 227.352 0.535 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cn(C2CC2)nn1 ZINC000638207581 352069330 /nfs/dbraw/zinc/06/93/30/352069330.db2.gz PNWJEECVXJFUAG-DTWKUNHWSA-N 0 3 249.318 0.435 20 0 BCADHN COCCNCCNC(=O)[C@@H]1CCCC12CC2 ZINC000638155207 352015848 /nfs/dbraw/zinc/01/58/48/352015848.db2.gz STPBIZSOPKULAA-NSHDSACASA-N 0 3 240.347 0.919 20 0 BCADHN C[C@@H]1CN(C(=O)COCC(F)F)[C@@H](C)CN1 ZINC000638158571 352022932 /nfs/dbraw/zinc/02/29/32/352022932.db2.gz QPQRWLVEEUMRHF-SFYZADRCSA-N 0 3 236.262 0.477 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)COCC(F)F ZINC000638158570 352023018 /nfs/dbraw/zinc/02/30/18/352023018.db2.gz QPQRWLVEEUMRHF-JGVFFNPUSA-N 0 3 236.262 0.477 20 0 BCADHN C[C@H]1CN(C(=O)c2coc(CO)c2)[C@@H](C)CN1 ZINC000638159697 352023879 /nfs/dbraw/zinc/02/38/79/352023879.db2.gz SOVJJXAMYDCFQA-IUCAKERBSA-N 0 3 238.287 0.594 20 0 BCADHN COc1cccnc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000638158009 352025608 /nfs/dbraw/zinc/02/56/08/352025608.db2.gz NUMGXWJLOOZBSP-VHSXEESVSA-N 0 3 249.314 0.913 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000638167211 352029080 /nfs/dbraw/zinc/02/90/80/352029080.db2.gz CFBKSIPCSBANES-LBPRGKRZSA-N 0 3 248.286 0.008 20 0 BCADHN C[C@H](N(C)Cc1cnc(N)nc1N)C1(C)CC1 ZINC000638170298 352034794 /nfs/dbraw/zinc/03/47/94/352034794.db2.gz KPHCJMNPATZHHS-QMMMGPOBSA-N 0 3 235.335 0.922 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)Nc1ccccc1O ZINC000638168699 352036246 /nfs/dbraw/zinc/03/62/46/352036246.db2.gz ODFWHIVOCNPEJE-XCBNKYQSSA-N 0 3 222.244 0.447 20 0 BCADHN CCC[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000638282877 352118389 /nfs/dbraw/zinc/11/83/89/352118389.db2.gz QOPHALIAJHTUQQ-GARJFASQSA-N 0 3 242.319 0.130 20 0 BCADHN CCN[C@H](C)C(=O)N1CC[C@H](C)C[C@@H]1C(N)=O ZINC000638282612 352120351 /nfs/dbraw/zinc/12/03/51/352120351.db2.gz GEYMJXVUDDPLSH-IVZWLZJFSA-N 0 3 241.335 0.097 20 0 BCADHN COC[C@]1(C(=O)N[C@@H]2CCOC2)CCCCN1 ZINC000638284931 352122060 /nfs/dbraw/zinc/12/20/60/352122060.db2.gz ITAGRNMHHLWUEZ-PWSUYJOCSA-N 0 3 242.319 0.050 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H]1CCCOCC1 ZINC000638288506 352122830 /nfs/dbraw/zinc/12/28/30/352122830.db2.gz RYEZHMZITSJBIF-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000638290388 352126009 /nfs/dbraw/zinc/12/60/09/352126009.db2.gz RREOHRCLEDNXGO-UWVGGRQHSA-N 0 3 243.351 0.343 20 0 BCADHN CC[NH2+][C@H](C)C(=O)NCc1nc2cccnc2[n-]1 ZINC000638300029 352132108 /nfs/dbraw/zinc/13/21/08/352132108.db2.gz ZJAXBWAKDAXQOZ-MRVPVSSYSA-N 0 3 247.302 0.572 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@@H](C)C1 ZINC000638307705 352135424 /nfs/dbraw/zinc/13/54/24/352135424.db2.gz SCQIRVBBIIFENL-NOOOWODRSA-N 0 3 240.347 0.997 20 0 BCADHN Cc1ccc(NC(=O)[C@@H]2OCC[C@@H]2N)cn1 ZINC000638275032 352110013 /nfs/dbraw/zinc/11/00/13/352110013.db2.gz UWCGYFQGDNGWTR-VHSXEESVSA-N 0 3 221.260 0.445 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCCN(CC)C(=O)C1 ZINC000638309342 352136379 /nfs/dbraw/zinc/13/63/79/352136379.db2.gz XVUVSEJLNKHCPJ-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN COC[C@]1(C(=O)NC[C@@H](C)OC)CCCCN1 ZINC000638280916 352117237 /nfs/dbraw/zinc/11/72/37/352117237.db2.gz GKDRCKVITVBXRU-PWSUYJOCSA-N 0 3 244.335 0.296 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](C)COCC1CC1 ZINC000638392356 352197777 /nfs/dbraw/zinc/19/77/77/352197777.db2.gz YKIZKLLGQZALGQ-ZJUUUORDSA-N 0 3 228.336 0.916 20 0 BCADHN N[C@@H]1Cc2ccccc2N(C(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000638350692 352166939 /nfs/dbraw/zinc/16/69/39/352166939.db2.gz PJTWPIQKLIJHNJ-UTUOFQBUSA-N 0 3 246.310 0.674 20 0 BCADHN C[C@H](Cc1cnccn1)N[C@H]1CCCCNC1=O ZINC000638353792 352167613 /nfs/dbraw/zinc/16/76/13/352167613.db2.gz ZLGCLDBYJRKSLF-PWSUYJOCSA-N 0 3 248.330 0.666 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NCc1cn(C)nn1 ZINC000638392435 352198137 /nfs/dbraw/zinc/19/81/37/352198137.db2.gz YYFVVUWAROGQOQ-SNVBAGLBSA-N 0 3 239.323 0.195 20 0 BCADHN C[C@@H]1CCCN(CCNCc2ncnn2C)C1 ZINC000638362592 352175251 /nfs/dbraw/zinc/17/52/51/352175251.db2.gz BTBZSLWJVUCMLD-LLVKDONJSA-N 0 3 237.351 0.637 20 0 BCADHN COC[C@@]1(C(=O)N[C@@H]2CC23CC3)CCCCN1 ZINC000638368866 352180893 /nfs/dbraw/zinc/18/08/93/352180893.db2.gz YTIOTJUOBZSDDG-ZWNOBZJWSA-N 0 3 238.331 0.814 20 0 BCADHN CN1CC[C@@H]2CCN(C(=O)[C@H](O)C3CC3)[C@@H]2C1 ZINC000613329184 363109134 /nfs/dbraw/zinc/10/91/34/363109134.db2.gz QIPOLFZBKZVVSZ-YUSALJHKSA-N 0 3 238.331 0.310 20 0 BCADHN CCN[C@@H](C)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000638372082 352185210 /nfs/dbraw/zinc/18/52/10/352185210.db2.gz ZNYMXCXZPJQVDE-AXFHLTTASA-N 0 3 226.320 0.622 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCC1CCC(F)CC1 ZINC000638377083 352188504 /nfs/dbraw/zinc/18/85/04/352188504.db2.gz JDXZUMDHKMMYGJ-LXKPXOPUSA-N 0 3 244.310 0.747 20 0 BCADHN C[C@@H]1CC2(CCC2)CN1C(=O)[C@@H]1OCC[C@@H]1N ZINC000638379037 352191573 /nfs/dbraw/zinc/19/15/73/352191573.db2.gz WBIBVFJJEFGVLS-OUAUKWLOSA-N 0 3 238.331 0.894 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NC(C)(C)CC(N)=O ZINC000638381142 352191820 /nfs/dbraw/zinc/19/18/20/352191820.db2.gz IEMKHIBRIRBUMK-SECBINFHSA-N 0 3 243.351 0.520 20 0 BCADHN CCN[C@H](C)C(=O)N1CCC(O)(CC)CC1 ZINC000638381533 352193127 /nfs/dbraw/zinc/19/31/27/352193127.db2.gz MIPRBIPBJNNRHT-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CCN1CCN(Cc2cc[nH]n2)[C@H](C)C1 ZINC000289722307 352195829 /nfs/dbraw/zinc/19/58/29/352195829.db2.gz PJVWVCOLTOGOCH-SNVBAGLBSA-N 0 3 208.309 0.936 20 0 BCADHN C[C@H]1C[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000638314149 352139222 /nfs/dbraw/zinc/13/92/22/352139222.db2.gz JGCJIPRSOHCGDP-XWLWVQCSSA-N 0 3 242.319 0.034 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000638322212 352144468 /nfs/dbraw/zinc/14/44/68/352144468.db2.gz WTCVJQSWTRSMDE-VIFPVBQESA-N 0 3 249.314 0.670 20 0 BCADHN O=C(CN1CCNCC1)NCC1=CCCC1 ZINC000638425227 352236333 /nfs/dbraw/zinc/23/63/33/352236333.db2.gz NYASTIBUCJSVKJ-UHFFFAOYSA-N 0 3 223.320 0.118 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)Cc1nc(C)no1 ZINC000638397705 352205165 /nfs/dbraw/zinc/20/51/65/352205165.db2.gz GHDCGWMEPHSKHS-ZETCQYMHSA-N 0 3 226.280 0.334 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)C1(N)CC1 ZINC000226341392 535174224 /nfs/dbraw/zinc/17/42/24/535174224.db2.gz YPWLDUQWRDPYLJ-MRVPVSSYSA-N 0 3 200.282 0.001 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NC/C=C/CO ZINC000638405223 352212250 /nfs/dbraw/zinc/21/22/50/352212250.db2.gz BAQGYYPFBQNZON-HMDXOVGESA-N 0 3 214.309 0.415 20 0 BCADHN C[C@H](CO)NCc1cccn(C(F)F)c1=O ZINC000638411600 352221371 /nfs/dbraw/zinc/22/13/71/352221371.db2.gz CRHXXZVWWGETMV-SSDOTTSWSA-N 0 3 232.230 0.714 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@H](OC)[C@H]1CCOC1 ZINC000638412703 352222662 /nfs/dbraw/zinc/22/26/62/352222662.db2.gz XUDTWKGJBLAQMF-VWYCJHECSA-N 0 3 244.335 0.152 20 0 BCADHN C[C@H](NC(=O)[C@]1(F)CCNC1)c1cccnc1 ZINC000163782812 352223026 /nfs/dbraw/zinc/22/30/26/352223026.db2.gz YILADQJJRBYDBN-CABZTGNLSA-N 0 3 237.278 0.960 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000638414287 352223127 /nfs/dbraw/zinc/22/31/27/352223127.db2.gz DOOXPNDKGOIJGV-HGCLJGPKSA-N 0 3 238.331 0.655 20 0 BCADHN C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2N)O1 ZINC000638415961 352223559 /nfs/dbraw/zinc/22/35/59/352223559.db2.gz RRJLMBASUSMAAC-CHWFTXMASA-N 0 3 242.319 0.176 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCCc1ccoc1 ZINC000638414772 352224410 /nfs/dbraw/zinc/22/44/10/352224410.db2.gz IRDYXYVYZHGBMT-ZJUUUORDSA-N 0 3 224.260 0.055 20 0 BCADHN CCN[C@H](C)C(=O)NCCc1ccoc1 ZINC000638416203 352225378 /nfs/dbraw/zinc/22/53/78/352225378.db2.gz VGXXZIWLSMUIKU-SECBINFHSA-N 0 3 210.277 0.936 20 0 BCADHN CC(C)(F)CCNC(=O)CN1CCNCC1 ZINC000638416888 352225613 /nfs/dbraw/zinc/22/56/13/352225613.db2.gz VIPCEKBGGQTAOS-UHFFFAOYSA-N 0 3 231.315 0.146 20 0 BCADHN CC(C)(F)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638417288 352226536 /nfs/dbraw/zinc/22/65/36/352226536.db2.gz YDQBVYXCGYXOPS-JGVFFNPUSA-N 0 3 218.272 0.357 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](CCF)C1 ZINC000638418410 352228261 /nfs/dbraw/zinc/22/82/61/352228261.db2.gz JNWQJJACGHVACL-AXFHLTTASA-N 0 3 244.310 0.701 20 0 BCADHN CCN[C@H](C)C(=O)NCCc1cncc(C)n1 ZINC000638421957 352232097 /nfs/dbraw/zinc/23/20/97/352232097.db2.gz BIIRWCHOGMJXHI-SNVBAGLBSA-N 0 3 236.319 0.442 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@H](C)c1cnn(C)c1 ZINC000157423562 187637401 /nfs/dbraw/zinc/63/74/01/187637401.db2.gz OVJANKZWGBZHCZ-KOLCDFICSA-N 0 3 238.335 0.971 20 0 BCADHN COC1CCC(NC(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638447585 352257325 /nfs/dbraw/zinc/25/73/25/352257325.db2.gz GNCRNAAZLMYNDG-WFBLGPOFSA-N 0 3 242.319 0.176 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1cnnn1CC ZINC000638450872 352258060 /nfs/dbraw/zinc/25/80/60/352258060.db2.gz ROMYBOVGPSRTSF-SCZZXKLOSA-N 0 3 239.323 0.288 20 0 BCADHN CCC[C@](C)(N)C(=O)NCc1cnnn1CC ZINC000638451138 352258727 /nfs/dbraw/zinc/25/87/27/352258727.db2.gz UKVRJBVCAOVKKT-NSHDSACASA-N 0 3 239.323 0.432 20 0 BCADHN C[C@@H](NC(=O)[C@@H](O)C1CC1)C1=CCN(C)CC1 ZINC000613375105 363150020 /nfs/dbraw/zinc/15/00/20/363150020.db2.gz LHPDQLGPJVDVRU-SKDRFNHKSA-N 0 3 238.331 0.524 20 0 BCADHN CN(C)c1noc(CN2CCCN(C)CC2)n1 ZINC000411151678 191165273 /nfs/dbraw/zinc/16/52/73/191165273.db2.gz DDXTWOUVOSJJEH-UHFFFAOYSA-N 0 3 239.323 0.273 20 0 BCADHN CCC[C@@H](CNC(=O)[C@H](C)NC)OCC ZINC000638457948 352269189 /nfs/dbraw/zinc/26/91/89/352269189.db2.gz PWBAXWLKKIJJLY-UWVGGRQHSA-N 0 3 216.325 0.916 20 0 BCADHN CCC[C@H](CNC(=O)[C@H](C)NC)OCC ZINC000638457949 352269273 /nfs/dbraw/zinc/26/92/73/352269273.db2.gz PWBAXWLKKIJJLY-VHSXEESVSA-N 0 3 216.325 0.916 20 0 BCADHN CN(C)CCNC(=O)c1cc2cccnc2[nH]1 ZINC000411161438 191165414 /nfs/dbraw/zinc/16/54/14/191165414.db2.gz KLUVRZRAXIKWSX-UHFFFAOYSA-N 0 3 232.287 0.854 20 0 BCADHN CC(C)NCC(=O)NCC[C@@H]1CCCOC1 ZINC000638459336 352271546 /nfs/dbraw/zinc/27/15/46/352271546.db2.gz ZMBOMNSPVMABCB-NSHDSACASA-N 0 3 228.336 0.917 20 0 BCADHN CN(C[C@@H]1CC1(C)C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638434423 352243798 /nfs/dbraw/zinc/24/37/98/352243798.db2.gz IYCVINFQFFTXGI-LPEHRKFASA-N 0 3 226.320 0.607 20 0 BCADHN Cn1ccc(CNC[C@@H](O)c2cnn(C)c2)c1 ZINC000270597655 180701788 /nfs/dbraw/zinc/70/17/88/180701788.db2.gz DZESVWCXBVEYDI-GFCCVEGCSA-N 0 3 234.303 0.582 20 0 BCADHN CCN[C@H](C)C(=O)N1CCCc2n[nH]cc2C1 ZINC000638435668 352246641 /nfs/dbraw/zinc/24/66/41/352246641.db2.gz FELFQJAYMGSVKN-SECBINFHSA-N 0 3 236.319 0.683 20 0 BCADHN CCN[C@H](C)C(=O)Nc1ccnc2cc(C)nn21 ZINC000638435774 352247048 /nfs/dbraw/zinc/24/70/48/352247048.db2.gz XHDFFCYCQOVEPU-SECBINFHSA-N 0 3 247.302 0.974 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCC[C@H]1CC1(F)F ZINC000638439338 352248986 /nfs/dbraw/zinc/24/89/86/352248986.db2.gz FXJBLHIHTOMTKL-RNJXMRFFSA-N 0 3 234.246 0.264 20 0 BCADHN CCOC(=O)[C@H](CC)C(=O)NCCN(C)C ZINC000411164917 191166800 /nfs/dbraw/zinc/16/68/00/191166800.db2.gz RFIBJVYQCMRMJC-SECBINFHSA-N 0 3 230.308 0.254 20 0 BCADHN CCC1(CO)CCN(C(=O)C2(N)CC2)CC1 ZINC000638444891 352251558 /nfs/dbraw/zinc/25/15/58/352251558.db2.gz KIJWCUTWVCQZMW-UHFFFAOYSA-N 0 3 226.320 0.489 20 0 BCADHN CCN(Cc1ccoc1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638445685 352255162 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0.791 20 0 BCADHN CNCC(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000638536812 352368849 /nfs/dbraw/zinc/36/88/49/352368849.db2.gz TWBHQSQDVXAKSD-BDAKNGLRSA-N 0 3 214.334 0.702 20 0 BCADHN NCC(=O)N1CCCc2cccc(CN)c21 ZINC000638547002 352377412 /nfs/dbraw/zinc/37/74/12/352377412.db2.gz IEHSMXSYPJGJKJ-UHFFFAOYSA-N 0 3 219.288 0.383 20 0 BCADHN CCCCCNC(=O)CNC(C)(C)CC(N)=O ZINC000411525291 191191034 /nfs/dbraw/zinc/19/10/34/191191034.db2.gz MGONZKCPAJLSBT-UHFFFAOYSA-N 0 3 243.351 0.536 20 0 BCADHN CC[C@H](NC[C@H](C)S(C)(=O)=O)[C@H]1CCCO1 ZINC000411515967 191191246 /nfs/dbraw/zinc/19/12/46/191191246.db2.gz IVNFOWHTGVTTBZ-GARJFASQSA-N 0 3 249.376 0.967 20 0 BCADHN CCNC(=O)CN[C@H](C)[C@H](C)C(=O)OCC ZINC000411524521 191191298 /nfs/dbraw/zinc/19/12/98/191191298.db2.gz BDEFDLNHEVPAAX-DTWKUNHWSA-N 0 3 230.308 0.300 20 0 BCADHN C[C@H]1CCC[C@H]1NCc1cnc(N)nc1N ZINC000638578762 352408728 /nfs/dbraw/zinc/40/87/28/352408728.db2.gz IMZFHCASJJCNEM-IONNQARKSA-N 0 3 221.308 0.580 20 0 BCADHN Cn1ncnc1CN[C@H]1CCN(CC2CC2)C1 ZINC000638582728 352413735 /nfs/dbraw/zinc/41/37/35/352413735.db2.gz SUPXZLNLSSZNPU-NSHDSACASA-N 0 3 235.335 0.389 20 0 BCADHN CCNC(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000411629584 191198998 /nfs/dbraw/zinc/19/89/98/191198998.db2.gz DHBOVELPUWTEFQ-SNVBAGLBSA-N 0 3 234.299 0.585 20 0 BCADHN CCNC(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000411629583 191200357 /nfs/dbraw/zinc/20/03/57/191200357.db2.gz DHBOVELPUWTEFQ-JTQLQIEISA-N 0 3 234.299 0.585 20 0 BCADHN CCNC(=O)CN1[C@H](C)CN(CC)C[C@@H]1C ZINC000411720748 191206296 /nfs/dbraw/zinc/20/62/96/191206296.db2.gz NRGRMOXBVMXLIV-PHIMTYICSA-N 0 3 227.352 0.537 20 0 BCADHN CCCN(CCN1CCCC1)[C@@H]1COC[C@H]1O ZINC000411721214 191206505 /nfs/dbraw/zinc/20/65/05/191206505.db2.gz RRARDKJHWZTJPJ-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H]1[C@H](C)O ZINC000618913461 352432980 /nfs/dbraw/zinc/43/29/80/352432980.db2.gz JIHFYNFHSYWJQR-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN Cc1ncccc1CNC(=O)CCOC1CNC1 ZINC000638601357 352435782 /nfs/dbraw/zinc/43/57/82/352435782.db2.gz LHRSPSMIDIUTCO-UHFFFAOYSA-N 0 3 249.314 0.385 20 0 BCADHN CCN1CCCC[C@@H]1CNCc1ncnn1C ZINC000638603702 352440280 /nfs/dbraw/zinc/44/02/80/352440280.db2.gz BYMIQAIZTIPTBT-LLVKDONJSA-N 0 3 237.351 0.779 20 0 BCADHN C[C@@H](NCC(=O)N1CCCC[C@H]1C)[C@H](C)CO ZINC000411537492 191194320 /nfs/dbraw/zinc/19/43/20/191194320.db2.gz VKUXOKQAXFMGHV-IJLUTSLNSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1ccc(C(=O)NCCN(C)C2CC2)nn1 ZINC000411606738 191194847 /nfs/dbraw/zinc/19/48/47/191194847.db2.gz BVOMDVADZODTCK-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N(C1CC1)C1CC1 ZINC000638574737 352405449 /nfs/dbraw/zinc/40/54/49/352405449.db2.gz YUWTUDVYZIALNH-LLVKDONJSA-N 0 3 224.304 0.518 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)[C@@H]1NCC1(C)C ZINC000638628431 352467352 /nfs/dbraw/zinc/46/73/52/352467352.db2.gz KOAJATQPNYFBEH-DAWVFNFOSA-N 0 3 240.347 0.913 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000638631068 352474064 /nfs/dbraw/zinc/47/40/64/352474064.db2.gz UQJCMYLPTJBFHA-DAWVFNFOSA-N 0 3 228.336 0.898 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCC(OC)CC1 ZINC000037266770 358471250 /nfs/dbraw/zinc/47/12/50/358471250.db2.gz WWHQKBOGIOZZQS-KOLCDFICSA-N 0 3 228.336 0.997 20 0 BCADHN Cn1ccnc1CNC[C@H]1CCCOC1 ZINC000038045867 180746363 /nfs/dbraw/zinc/74/63/63/180746363.db2.gz FVCISVLNVSPLHV-SNVBAGLBSA-N 0 3 209.293 0.936 20 0 BCADHN COC[C@H](CCO)NCc1cccc(F)c1N ZINC000638645959 352489979 /nfs/dbraw/zinc/48/99/79/352489979.db2.gz BHXMGRSENLGQRI-JTQLQIEISA-N 0 3 242.294 0.895 20 0 BCADHN C[C@@H](CO)NCc1cccn(C(F)F)c1=O ZINC000638710797 352546747 /nfs/dbraw/zinc/54/67/47/352546747.db2.gz CRHXXZVWWGETMV-ZETCQYMHSA-N 0 3 232.230 0.714 20 0 BCADHN C[C@H](CCO)NCc1cc2c(cn1)OCCO2 ZINC000638660094 352501443 /nfs/dbraw/zinc/50/14/43/352501443.db2.gz PRDJSKVZJFVSBO-SECBINFHSA-N 0 3 238.287 0.713 20 0 BCADHN Nc1ncc(CN[C@@H]2CC=CCC2)c(N)n1 ZINC000638661887 352505355 /nfs/dbraw/zinc/50/53/55/352505355.db2.gz AHZYLCACDBNQGP-SECBINFHSA-N 0 3 219.292 0.500 20 0 BCADHN NCC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638669902 352511615 /nfs/dbraw/zinc/51/16/15/352511615.db2.gz XONJYRPYCHQKFN-UHFFFAOYSA-N 0 3 221.260 0.066 20 0 BCADHN CN[C@@H](C)C(=O)N1CCO[C@H](CCF)C1 ZINC000638683575 352521318 /nfs/dbraw/zinc/52/13/18/352521318.db2.gz KBHSGZNLUZTWDH-DTWKUNHWSA-N 0 3 218.272 0.181 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCO[C@@H](CCF)C1 ZINC000638684914 352522750 /nfs/dbraw/zinc/52/27/50/352522750.db2.gz VSQDGTJHFSKPKZ-UWVGGRQHSA-N 0 3 232.299 0.571 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCO[C@@H](CCF)C1 ZINC000638684971 352522883 /nfs/dbraw/zinc/52/28/83/352522883.db2.gz WJGLIPQCDGBVJJ-UWVGGRQHSA-N 0 3 232.299 0.557 20 0 BCADHN C/C=C/CNC(=O)[C@H]1CNCCC1(F)F ZINC000638690410 352526541 /nfs/dbraw/zinc/52/65/41/352526541.db2.gz RIZNRCBVDHUNLW-UFUPEUMYSA-N 0 3 218.247 0.924 20 0 BCADHN C[C@]1(CNC(=O)[C@@H]2OCC[C@@H]2N)C[C@H]2C[C@H]2C1 ZINC000638691673 352528732 /nfs/dbraw/zinc/52/87/32/352528732.db2.gz 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KAKKDYVIDHPJLL-NSHDSACASA-N 0 3 241.335 0.470 20 0 BCADHN CN(CC(=O)N1CCC(O)CC1)CC(C)(C)C ZINC000092424991 538106974 /nfs/dbraw/zinc/10/69/74/538106974.db2.gz QXRJRNPABWKFFX-UHFFFAOYSA-N 0 3 242.363 0.948 20 0 BCADHN CC1(OCC(=O)N[C@H]2CCCC23CC3)CNC1 ZINC000638832138 353013204 /nfs/dbraw/zinc/01/32/04/353013204.db2.gz FEXSVOXQBVGSGK-JTQLQIEISA-N 0 3 238.331 0.814 20 0 BCADHN CC(C)(CO)NCc1cc2c(cn1)OCCO2 ZINC000638890360 353058736 /nfs/dbraw/zinc/05/87/36/353058736.db2.gz YQOALBMTCRWEHE-UHFFFAOYSA-N 0 3 238.287 0.713 20 0 BCADHN CO[C@](C)(CNCC(=O)N(C)C)C1CC1 ZINC000393728895 353068291 /nfs/dbraw/zinc/06/82/91/353068291.db2.gz BURTXZIMTQPFGZ-LLVKDONJSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@@H](C[C@@H]1CCCC(=O)N1)NCC(=O)N(C)C ZINC000638867107 353041213 /nfs/dbraw/zinc/04/12/13/353041213.db2.gz XGQSIYUITRVMDY-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN CCC[C@@H](CN[C@](C)(CO)COC)OC ZINC000638873723 353043864 /nfs/dbraw/zinc/04/38/64/353043864.db2.gz KNIFZKRRFCJFHF-WDEREUQCSA-N 0 3 219.325 0.789 20 0 BCADHN CCn1ncnc1CNCCN1CC[C@@H](C)C1 ZINC000638874846 353045071 /nfs/dbraw/zinc/04/50/71/353045071.db2.gz XRBCJKWVAUKOKS-LLVKDONJSA-N 0 3 237.351 0.729 20 0 BCADHN CN(C)CCOCCNCc1cocn1 ZINC000336756604 188000499 /nfs/dbraw/zinc/00/04/99/188000499.db2.gz ITSUBUZWSAGJLC-UHFFFAOYSA-N 0 3 213.281 0.342 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H]1CC[C@@H](O)C1 ZINC000188805708 188002384 /nfs/dbraw/zinc/00/23/84/188002384.db2.gz JZPGLSGGULPURJ-ZYHUDNBSSA-N 0 3 223.320 0.979 20 0 BCADHN CC(C)C[C@@H](C(N)=O)C(=O)N(C)CCN(C)C ZINC000412157181 191264008 /nfs/dbraw/zinc/26/40/08/191264008.db2.gz KNAJTNOPIZVHLG-JTQLQIEISA-N 0 3 243.351 0.154 20 0 BCADHN C[C@H]1CN(C)CCN1C(=O)C(N)C(F)(F)F ZINC000334417593 353101184 /nfs/dbraw/zinc/10/11/84/353101184.db2.gz OWYAPTQEVWKPTC-BQBZGAKWSA-N 0 3 239.241 0.039 20 0 BCADHN C[C@@H]1CN(C)CCN1C(=O)C(N)C(F)(F)F ZINC000334417604 353101251 /nfs/dbraw/zinc/10/12/51/353101251.db2.gz OWYAPTQEVWKPTC-RQJHMYQMSA-N 0 3 239.241 0.039 20 0 BCADHN CC(=O)N1CCCN(C[C@@H](O)C(C)(C)C)CC1 ZINC000302330262 188006706 /nfs/dbraw/zinc/00/67/06/188006706.db2.gz GBPHCMDRRQSUQF-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN CC(=O)NCCCN[C@H](C)c1cnn(C)c1 ZINC000121381117 188008934 /nfs/dbraw/zinc/00/89/34/188008934.db2.gz VTJSPPMDJDKHSL-SECBINFHSA-N 0 3 224.308 0.597 20 0 BCADHN CC(C)N1CCN(C(=O)[C@@H](N)CC(F)F)CC1 ZINC000336723560 188013070 /nfs/dbraw/zinc/01/30/70/188013070.db2.gz UDCVHLHFNPAMDB-VIFPVBQESA-N 0 3 249.305 0.522 20 0 BCADHN CCN(CC)CC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000337485329 188014623 /nfs/dbraw/zinc/01/46/23/188014623.db2.gz YUFCFHVZHBZJTM-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)(C)[C@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC000335702911 188016225 /nfs/dbraw/zinc/01/62/25/188016225.db2.gz ANYDFIPWKPPZMH-VIFPVBQESA-N 0 3 241.335 0.939 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H](OC)C1)N(C)C ZINC000338960243 188017600 /nfs/dbraw/zinc/01/76/00/188017600.db2.gz DOHHAPTXMZLCCO-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN C(CN1C[C@@H]2COC[C@H](C1)O2)[C@H]1CCOC1 ZINC000338967196 188017916 /nfs/dbraw/zinc/01/79/16/188017916.db2.gz QHOGHZGGXNLMIZ-SDDRHHMPSA-N 0 3 227.304 0.513 20 0 BCADHN CC(C)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000339407378 188019420 /nfs/dbraw/zinc/01/94/20/188019420.db2.gz KANVEXVMPXTVAL-NSHDSACASA-N 0 3 224.308 0.816 20 0 BCADHN CNC(=O)[C@@H](NC[C@H](O)CSC)C(C)C ZINC000188226802 353129712 /nfs/dbraw/zinc/12/97/12/353129712.db2.gz ICUSHADWLRPUAB-IUCAKERBSA-N 0 3 234.365 0.071 20 0 BCADHN CC(C)N1CCCN(C(=O)c2cn[nH]n2)CC1 ZINC000263914679 188020478 /nfs/dbraw/zinc/02/04/78/188020478.db2.gz ONDOWVKMSQEIOW-UHFFFAOYSA-N 0 3 237.307 0.361 20 0 BCADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cn[nH]c1 ZINC000266092461 188022424 /nfs/dbraw/zinc/02/24/24/188022424.db2.gz PTEBURAUPXDFQC-ONGXEEELSA-N 0 3 236.319 0.822 20 0 BCADHN CCN(CC)CC(=O)N(C)Cc1ccon1 ZINC000265823909 188022649 /nfs/dbraw/zinc/02/26/49/188022649.db2.gz LEKGGQKVWPWTOR-UHFFFAOYSA-N 0 3 225.292 0.975 20 0 BCADHN C/C=C(\C)C(=O)N(CCOC)CCN(C)C ZINC000267518659 188023194 /nfs/dbraw/zinc/02/31/94/188023194.db2.gz MVRHHDUMAMANES-IZZDOVSWSA-N 0 3 228.336 0.989 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC[C@]1(C)CCOC1 ZINC000353660333 188025432 /nfs/dbraw/zinc/02/54/32/188025432.db2.gz CODZCDZXOKAKIB-JQWIXIFHSA-N 0 3 228.336 0.903 20 0 BCADHN CC(C)[C@H](C(=O)NCCc1ccon1)N(C)C ZINC000271517560 188025979 /nfs/dbraw/zinc/02/59/79/188025979.db2.gz WJYWCBBTXAWSPU-LLVKDONJSA-N 0 3 239.319 0.920 20 0 BCADHN Cc1ncncc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000277511666 188029545 /nfs/dbraw/zinc/02/95/45/188029545.db2.gz QZLGJKCBVSAACQ-SCZZXKLOSA-N 0 3 234.303 0.607 20 0 BCADHN COc1ccc(CN2CC[C@@](C)(C(N)=O)C2)nc1 ZINC000280667487 188031214 /nfs/dbraw/zinc/03/12/14/188031214.db2.gz FPQSSXALWKSXJF-CYBMUJFWSA-N 0 3 249.314 0.788 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)CCOC2CNC2)[C@H](C)O1 ZINC000638943046 353140722 /nfs/dbraw/zinc/14/07/22/353140722.db2.gz FYFWNSVXSJMXRJ-YWVKMMECSA-N 0 3 242.319 0.047 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ncn(C)n2)CN1C1CC1 ZINC000290293646 188035595 /nfs/dbraw/zinc/03/55/95/188035595.db2.gz DJZDDMDGTNZOKU-RKDXNWHRSA-N 0 3 249.318 0.170 20 0 BCADHN CNc1ccc(NC(=O)C2(N)CCC2)cn1 ZINC000295210723 188039206 /nfs/dbraw/zinc/03/92/06/188039206.db2.gz LOQQEBWZNZNINP-UHFFFAOYSA-N 0 3 220.276 0.943 20 0 BCADHN Cc1ncncc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000299350563 188041782 /nfs/dbraw/zinc/04/17/82/188041782.db2.gz CNIRLJHREWCUTJ-NSHDSACASA-N 0 3 246.314 0.705 20 0 BCADHN CC(C)(N)C(=O)N1CCN(CC2CC2)CC1 ZINC000040923779 188042744 /nfs/dbraw/zinc/04/27/44/188042744.db2.gz QNSAZCFAUVTVBN-UHFFFAOYSA-N 0 3 225.336 0.278 20 0 BCADHN C=Cn1cc(CN2CC[C@@H](C(N)=O)C2)cn1 ZINC000193589018 188004477 /nfs/dbraw/zinc/00/44/77/188004477.db2.gz GBZLCHYTFZKLQW-SNVBAGLBSA-N 0 3 220.276 0.291 20 0 BCADHN Cn1cc(CN[C@H](CO)C(C)(C)C)cn1 ZINC000193111609 188004656 /nfs/dbraw/zinc/00/46/56/188004656.db2.gz YRMHHDDXQSPZDM-SNVBAGLBSA-N 0 3 211.309 0.917 20 0 BCADHN Cc1cc(=O)[nH]c(C(=O)N(C)CCN(C)C)c1 ZINC000330516852 188045941 /nfs/dbraw/zinc/04/59/41/188045941.db2.gz FFYQDKYNBUNETJ-UHFFFAOYSA-N 0 3 237.303 0.729 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCN1CCCCC1 ZINC000049575442 188046313 /nfs/dbraw/zinc/04/63/13/188046313.db2.gz OLNNWSVGLFXAIT-NSHDSACASA-N 0 3 227.352 0.572 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)C[C@H]1CCC[C@@H]1O ZINC000331319284 188046738 /nfs/dbraw/zinc/04/67/38/188046738.db2.gz KEKLAGKSHAMOJN-GRYCIOLGSA-N 0 3 229.320 0.419 20 0 BCADHN CC(C)[C@H](O)CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000331215203 188046920 /nfs/dbraw/zinc/04/69/20/188046920.db2.gz NUVGLEBLXACLKW-SDDRHHMPSA-N 0 3 242.363 0.992 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCCn1cccn1 ZINC000134449677 188050280 /nfs/dbraw/zinc/05/02/80/188050280.db2.gz LOGLKKQZMPTUCI-NSHDSACASA-N 0 3 238.335 0.763 20 0 BCADHN C[C@@H]1CN(C(=O)C2CCN(C)CC2)[C@@H](C)CN1 ZINC000336519612 188057013 /nfs/dbraw/zinc/05/70/13/188057013.db2.gz LUUUHMISXXZGEF-MNOVXSKESA-N 0 3 239.363 0.537 20 0 BCADHN CC(C)COCCN(C)[C@H]1COC[C@H]1O ZINC000352813688 188058104 /nfs/dbraw/zinc/05/81/04/188058104.db2.gz CQABBAJFSABVAG-WDEREUQCSA-N 0 3 217.309 0.351 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@H](C)Cn1ccnc1 ZINC000037619573 358475084 /nfs/dbraw/zinc/47/50/84/358475084.db2.gz KDSUMGRRHJXUEQ-GHMZBOCLSA-N 0 3 238.335 0.905 20 0 BCADHN CC(C)[C@@H](CO)NCC(=O)Nc1ccncc1 ZINC000180615276 535202389 /nfs/dbraw/zinc/20/23/89/535202389.db2.gz KJWRHVISNKGAOO-LLVKDONJSA-N 0 3 237.303 0.627 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C(N)C(F)(F)F)[C@@H](C)O1 ZINC000638944870 353148248 /nfs/dbraw/zinc/14/82/48/353148248.db2.gz ZCSGFBAXWLGRPH-JWXFUTCRSA-N 0 3 240.225 0.558 20 0 BCADHN CCN1CCCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC000307876473 353155240 /nfs/dbraw/zinc/15/52/40/353155240.db2.gz TXNBHWYGSPYYMI-UHFFFAOYSA-N 0 3 249.314 0.955 20 0 BCADHN CC[C@]1(O)CCN(CCN2CCNC2=O)C1 ZINC000329627834 538109291 /nfs/dbraw/zinc/10/92/91/538109291.db2.gz HBAIKWUUTBGPHB-NSHDSACASA-N 0 3 227.308 0.063 20 0 BCADHN CC[C@@H]1CCCN1CC(=O)NCC(=O)OC ZINC000330540155 353174387 /nfs/dbraw/zinc/17/43/87/353174387.db2.gz XPTLESOJYYGQHA-SECBINFHSA-N 0 3 228.292 0.150 20 0 BCADHN COCC[C@H](C)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188494355 353177063 /nfs/dbraw/zinc/17/70/63/353177063.db2.gz RJIXCZVDHQJICT-XHNCKOQMSA-N 0 3 218.272 0.228 20 0 BCADHN Nc1c(F)cccc1CNCCCOCCO ZINC000638973544 353181239 /nfs/dbraw/zinc/18/12/39/353181239.db2.gz WQBQEAAFWWLHCR-UHFFFAOYSA-N 0 3 242.294 0.897 20 0 BCADHN CC[C@@H](N[C@H](C)COC)C(=O)N1CCOCC1 ZINC000165192334 353217446 /nfs/dbraw/zinc/21/74/46/353217446.db2.gz WRYDIKOOIXBJCK-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN CCN1CCN(C[C@H](C)CNC(N)=O)CC1 ZINC000330907478 353198525 /nfs/dbraw/zinc/19/85/25/353198525.db2.gz CIURINABIQJYRL-SNVBAGLBSA-N 0 3 228.340 0.342 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)CC(N)=O ZINC000330974941 353208534 /nfs/dbraw/zinc/20/85/34/353208534.db2.gz OYMPZUZMGNRNEO-QMMMGPOBSA-N 0 3 213.281 0.512 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)CC(C)(C)O ZINC000330978138 353208696 /nfs/dbraw/zinc/20/86/96/353208696.db2.gz MVHHUFSKGITYSM-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC(C)(F)CC1 ZINC000638995116 353236347 /nfs/dbraw/zinc/23/63/47/353236347.db2.gz SHONLFDMBWNANJ-QMMMGPOBSA-N 0 3 202.273 0.945 20 0 BCADHN Cc1sc(C(N)=O)cc1NC(=O)[C@H]1CCN1 ZINC000638988406 353220312 /nfs/dbraw/zinc/22/03/12/353220312.db2.gz DXGSOHFIUXQHQN-ZCFIWIBFSA-N 0 3 239.300 0.456 20 0 BCADHN CC1(F)CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000638994155 353229486 /nfs/dbraw/zinc/22/94/86/353229486.db2.gz GHJGPZODCLXDPM-SNVBAGLBSA-N 0 3 244.310 0.716 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CCN(C(C)=O)CC1 ZINC000037716182 358476615 /nfs/dbraw/zinc/47/66/15/358476615.db2.gz XBMPYKXXAAFTKI-LLVKDONJSA-N 0 3 241.335 0.195 20 0 BCADHN CCc1nn(C)cc1CN1CC[C@H](CO)C1 ZINC000162817385 538111987 /nfs/dbraw/zinc/11/19/87/538111987.db2.gz UZLIBISCOJRNTC-JTQLQIEISA-N 0 3 223.320 0.797 20 0 BCADHN NCC(=O)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000639000242 353248123 /nfs/dbraw/zinc/24/81/23/353248123.db2.gz PUPHRKWVRHVLIN-MWLCHTKSSA-N 0 3 212.293 0.409 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)NCC1=CCN(C)CC1 ZINC000343255794 353251578 /nfs/dbraw/zinc/25/15/78/353251578.db2.gz CTGSHFWJSFDDAU-NWDGAFQWSA-N 0 3 238.331 0.790 20 0 BCADHN NC1(C(=O)N[C@@H]2C[C@H]2C(F)(F)F)CCC1 ZINC000639004532 353254474 /nfs/dbraw/zinc/25/44/74/353254474.db2.gz OWZGGQKZDUDPTG-PHDIDXHHSA-N 0 3 222.210 0.935 20 0 BCADHN CCN1CCC[C@@H](NC(=O)NC[C@@H](C)CO)C1 ZINC000333987807 353255885 /nfs/dbraw/zinc/25/58/85/353255885.db2.gz QJVKKTWWESTECZ-GHMZBOCLSA-N 0 3 243.351 0.398 20 0 BCADHN COCCN(CCO)C[C@H]1CC[C@@H](C)O1 ZINC000188530496 353244572 /nfs/dbraw/zinc/24/45/72/353244572.db2.gz YUQLBZFKYGVTDS-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN COCCN(CCO)C[C@@H]1CC[C@H](C)O1 ZINC000188530566 353244643 /nfs/dbraw/zinc/24/46/43/353244643.db2.gz YUQLBZFKYGVTDS-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@@H](O)CN(C)C ZINC000134560030 538113367 /nfs/dbraw/zinc/11/33/67/538113367.db2.gz RKFZLSWRRGRAPW-WCBMZHEXSA-N 0 3 226.324 0.291 20 0 BCADHN CCC[C@@H](O)CN(C)[C@H]1CCC(=O)N(C)C1 ZINC000577861593 366086829 /nfs/dbraw/zinc/08/68/29/366086829.db2.gz GGUXTGGEODAHOC-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NCC(C)(C)C(N)=O ZINC000134820036 538113854 /nfs/dbraw/zinc/11/38/54/538113854.db2.gz VDGHPTTWRFDJKX-SSDOTTSWSA-N 0 3 224.308 0.880 20 0 BCADHN CN(CC(F)F)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000343268534 353281348 /nfs/dbraw/zinc/28/13/48/353281348.db2.gz LLWHEDAKNPXKTA-VIFPVBQESA-N 0 3 247.289 0.100 20 0 BCADHN O=C(N[C@H]1CCCn2nccc21)[C@H]1CCCCN1 ZINC000639023620 353282593 /nfs/dbraw/zinc/28/25/93/353282593.db2.gz WTRQTMDDRVDVPV-WDEREUQCSA-N 0 3 248.330 0.976 20 0 BCADHN CC(C)C[C@H](C)N1CCO[C@H](C(N)=O)C1 ZINC000355693634 188237299 /nfs/dbraw/zinc/23/72/99/188237299.db2.gz ZSWSLLJRJDYQEM-UWVGGRQHSA-N 0 3 214.309 0.607 20 0 BCADHN CC(C)N(C)CC(=O)N(CCN(C)C)C1CC1 ZINC000356285902 188238676 /nfs/dbraw/zinc/23/86/76/188238676.db2.gz XBRNVFHXSPNNLG-UHFFFAOYSA-N 0 3 241.379 0.879 20 0 BCADHN COC1(C(=O)NCCN2CCCC2)CCC1 ZINC000359065200 188240509 /nfs/dbraw/zinc/24/05/09/188240509.db2.gz SLGYSQNOHRRCPI-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](CO)[C@H](C)C1 ZINC000360855372 188242294 /nfs/dbraw/zinc/24/22/94/188242294.db2.gz DWCNIQUCNMGVRD-GHMZBOCLSA-N 0 3 228.336 0.413 20 0 BCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]1CN(C)C ZINC000362499097 188245607 /nfs/dbraw/zinc/24/56/07/188245607.db2.gz ODDCBCUROVFWGA-NSHDSACASA-N 0 3 241.335 0.017 20 0 BCADHN CC(C)(CCO)NCc1cn2cccnc2n1 ZINC000362282385 188245631 /nfs/dbraw/zinc/24/56/31/188245631.db2.gz GQHCWHJBNBKIAL-UHFFFAOYSA-N 0 3 234.303 0.980 20 0 BCADHN CC(C)[C@H](O)CN1CCO[C@]2(CCCOC2)C1 ZINC000368040169 188246204 /nfs/dbraw/zinc/24/62/04/188246204.db2.gz HKBXZBYCWGTTSC-CHWSQXEVSA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)[C@H](O)CN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000367924038 188247148 /nfs/dbraw/zinc/24/71/48/188247148.db2.gz HYJBDUFLGNEQSF-ZYHUDNBSSA-N 0 3 242.319 0.578 20 0 BCADHN CC(C)N(C)CC(=O)N1CCCC[C@H](CO)C1 ZINC000371272661 188247817 /nfs/dbraw/zinc/24/78/17/188247817.db2.gz GIFHHDYKXFWOII-LBPRGKRZSA-N 0 3 242.363 0.948 20 0 BCADHN Cn1ccnc1CC1CCN(CC(N)=O)CC1 ZINC000105875687 188254505 /nfs/dbraw/zinc/25/45/05/188254505.db2.gz AXBCVZNDNWGSJE-UHFFFAOYSA-N 0 3 236.319 0.160 20 0 BCADHN CC1(C)OCC[C@@H]1N[C@H]1CCCCNC1=O ZINC000328204962 188254946 /nfs/dbraw/zinc/25/49/46/188254946.db2.gz HNDRFYAVAFMRDO-UWVGGRQHSA-N 0 3 226.320 0.812 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000019510384 188281130 /nfs/dbraw/zinc/28/11/30/188281130.db2.gz ZGVRDNHZUCTPOC-UWVGGRQHSA-N 0 3 241.335 0.084 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCc1ncc[nH]1 ZINC000070646698 188287151 /nfs/dbraw/zinc/28/71/51/188287151.db2.gz HLIIHPNNSDWHCO-MRVPVSSYSA-N 0 3 210.281 0.399 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCc1ccncc1 ZINC000040464108 188292266 /nfs/dbraw/zinc/29/22/66/188292266.db2.gz NVEADOXPTGXKOP-NSHDSACASA-N 0 3 221.304 0.724 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCc1cnn(C)c1 ZINC000041055042 188292565 /nfs/dbraw/zinc/29/25/65/188292565.db2.gz FYBVVFZWMTZEQL-JTQLQIEISA-N 0 3 224.308 0.410 20 0 BCADHN CC(C)(C)N1CCN(C(=O)C(C)(C)N)CC1 ZINC000042463034 188293909 /nfs/dbraw/zinc/29/39/09/188293909.db2.gz NIOIFYWXTGSRCQ-UHFFFAOYSA-N 0 3 227.352 0.666 20 0 BCADHN CCCNC(=O)CN1CCC[C@@H]1C[C@H](C)O ZINC000252696881 353303798 /nfs/dbraw/zinc/30/37/98/353303798.db2.gz DCORPANHYGRGPT-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN CNCC(=O)NCc1noc2c1CCCC2 ZINC000639032927 353304366 /nfs/dbraw/zinc/30/43/66/353304366.db2.gz CPQLISQLAVFFRU-UHFFFAOYSA-N 0 3 223.276 0.389 20 0 BCADHN CC(=O)c1cnc(NC(=O)[C@H](C)CN)s1 ZINC000261593119 188259722 /nfs/dbraw/zinc/25/97/22/188259722.db2.gz WOIOWNODOYSSFO-RXMQYKEDSA-N 0 3 227.289 0.879 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCn2nccc21 ZINC000639034721 353307587 /nfs/dbraw/zinc/30/75/87/353307587.db2.gz LPLCSABFYLTWNV-SECBINFHSA-N 0 3 220.276 0.228 20 0 BCADHN O=C(CN1CCC[C@@H]2COCC[C@H]21)N1CCC1 ZINC000334501249 353334691 /nfs/dbraw/zinc/33/46/91/353334691.db2.gz YGGYIILPXKJYOB-VXGBXAGGSA-N 0 3 238.331 0.720 20 0 BCADHN Nc1ncc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)s1 ZINC000252864457 353313352 /nfs/dbraw/zinc/31/33/52/353313352.db2.gz LPAVNSWAAANKND-UJNFCWOMSA-N 0 3 239.344 0.928 20 0 BCADHN CCC[C@H](O)CN(C)[C@H]1CCC(=O)N(C)C1 ZINC000577861592 366087373 /nfs/dbraw/zinc/08/73/73/366087373.db2.gz GGUXTGGEODAHOC-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN COc1cc(C)nc(CN[C@H](C)CO)c1 ZINC000125959364 188314403 /nfs/dbraw/zinc/31/44/03/188314403.db2.gz JBHYKUUJVVQLBG-SECBINFHSA-N 0 3 210.277 0.869 20 0 BCADHN CC(=O)Nc1cccc(CNC(=O)C(C)(C)N)c1 ZINC000083931919 188316860 /nfs/dbraw/zinc/31/68/60/188316860.db2.gz KGYWUKHLPZNRDT-UHFFFAOYSA-N 0 3 249.314 0.999 20 0 BCADHN CC[C@](C)(CNC1(C(N)=O)CC1)OC ZINC000639042843 353325664 /nfs/dbraw/zinc/32/56/64/353325664.db2.gz LDWAZCYVOPOBSV-SECBINFHSA-N 0 3 200.282 0.409 20 0 BCADHN CC[C@@](C)(CNC1(C(N)=O)CC1)OC ZINC000639042844 353325927 /nfs/dbraw/zinc/32/59/27/353325927.db2.gz LDWAZCYVOPOBSV-VIFPVBQESA-N 0 3 200.282 0.409 20 0 BCADHN CCC[C@H](CNC1(C(N)=O)CC1)OC ZINC000639043411 353326611 /nfs/dbraw/zinc/32/66/11/353326611.db2.gz VVMKLVZWLSZBBO-MRVPVSSYSA-N 0 3 200.282 0.409 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@@H](N)CCSC ZINC000157447672 353358969 /nfs/dbraw/zinc/35/89/69/353358969.db2.gz RRKHTWSUUILABU-BDAKNGLRSA-N 0 3 234.365 0.344 20 0 BCADHN CC[C@H](C(=O)N1CCCOC1)N(C)C ZINC000334505946 353362020 /nfs/dbraw/zinc/36/20/20/353362020.db2.gz FULUJLJEXSBRPF-SECBINFHSA-N 0 3 200.282 0.533 20 0 BCADHN CC[C@H](C)[C@@](C)(O)CNCc1cnnn1C ZINC000165499215 353365125 /nfs/dbraw/zinc/36/51/25/353365125.db2.gz YXMAMALJETUWIZ-ONGXEEELSA-N 0 3 226.324 0.702 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)[C@@H](C)CN1 ZINC000226117757 188329816 /nfs/dbraw/zinc/32/98/16/188329816.db2.gz PWXGEHKZASMBQT-MDZLAQPJSA-N 0 3 248.326 0.929 20 0 BCADHN Cc1nn(C)cc1CN[C@@H]1CCC(=O)N(C)C1 ZINC000126052664 188329893 /nfs/dbraw/zinc/32/98/93/188329893.db2.gz VACYSCHVTJICEW-LLVKDONJSA-N 0 3 236.319 0.439 20 0 BCADHN CC(C)(CNC(=O)C1(N)CCCCC1)C(N)=O ZINC000225387812 188330225 /nfs/dbraw/zinc/33/02/25/188330225.db2.gz XCSABSYVRKAIBT-UHFFFAOYSA-N 0 3 241.335 0.276 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1ccon1 ZINC000130070582 353339351 /nfs/dbraw/zinc/33/93/51/353339351.db2.gz PUYUOEBXVJHUMG-SECBINFHSA-N 0 3 223.276 0.889 20 0 BCADHN Cc1nnsc1CNC[C@@]1(O)CCN(C)C1 ZINC000639049455 353344263 /nfs/dbraw/zinc/34/42/63/353344263.db2.gz RPKWAIGWCYYYDJ-JTQLQIEISA-N 0 3 242.348 0.003 20 0 BCADHN CC(=O)Nc1ccc(CCNC(=O)[C@@H](C)N)cc1 ZINC000155963973 188333497 /nfs/dbraw/zinc/33/34/97/188333497.db2.gz UXMBAOXZXCNJRJ-SECBINFHSA-N 0 3 249.314 0.651 20 0 BCADHN CN(CCO)CCC(=O)N1CCCCC1 ZINC000076991346 353347726 /nfs/dbraw/zinc/34/77/26/353347726.db2.gz BJOHWFNMCKMNCC-UHFFFAOYSA-N 0 3 214.309 0.313 20 0 BCADHN CC(C)[C@H](C)NC(=O)C1(N)CCOCC1 ZINC000149645253 188336000 /nfs/dbraw/zinc/33/60/00/188336000.db2.gz GUPOHJXMCNAHBX-VIFPVBQESA-N 0 3 214.309 0.655 20 0 BCADHN OCCCN(CCO)CCOCC(F)(F)F ZINC000109797609 188337272 /nfs/dbraw/zinc/33/72/72/188337272.db2.gz WEUHQODQDYFPBE-UHFFFAOYSA-N 0 3 245.241 0.242 20 0 BCADHN CC(C)(N)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000169811047 188338094 /nfs/dbraw/zinc/33/80/94/188338094.db2.gz WSUHQYZSAHTKEJ-SECBINFHSA-N 0 3 236.319 0.853 20 0 BCADHN CCc1ncc(CNC[C@](C)(O)CO)s1 ZINC000085250782 538116123 /nfs/dbraw/zinc/11/61/23/538116123.db2.gz NTWXZFHINMYYFL-JTQLQIEISA-N 0 3 230.333 0.538 20 0 BCADHN C[C@@](O)(CO)CNCc1cccc(F)c1 ZINC000085252456 538116139 /nfs/dbraw/zinc/11/61/39/538116139.db2.gz OENJRYVLRBETMG-NSHDSACASA-N 0 3 213.252 0.659 20 0 BCADHN C[C@H]1CN(Cc2ccc(=O)[nH]c2)CC[C@@H]1O ZINC000639073654 353391564 /nfs/dbraw/zinc/39/15/64/353391564.db2.gz GYOURXRRJZPRFS-ONGXEEELSA-N 0 3 222.288 0.990 20 0 BCADHN Cc1cc(CNC[C@](C)(O)CO)ccc1F ZINC000085251942 538116220 /nfs/dbraw/zinc/11/62/20/538116220.db2.gz FASGBPHDWNGXBJ-LBPRGKRZSA-N 0 3 227.279 0.967 20 0 BCADHN CCC[C@@H](C(=O)N1CC(NC(C)=O)C1)N(C)C ZINC000190469434 353395859 /nfs/dbraw/zinc/39/58/59/353395859.db2.gz KKAASTBGGVPYHK-NSHDSACASA-N 0 3 241.335 0.064 20 0 BCADHN CC(C)(CC(N)=O)NCc1ccc(C(N)=O)cc1 ZINC000186234817 188347529 /nfs/dbraw/zinc/34/75/29/188347529.db2.gz NZBGUWFEAHTYEA-UHFFFAOYSA-N 0 3 249.314 0.529 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N(C)CCN(C)C1CC1 ZINC000186775578 188348065 /nfs/dbraw/zinc/34/80/65/188348065.db2.gz BWWDDLOLQSMYMF-SECBINFHSA-N 0 3 241.335 0.064 20 0 BCADHN CC(C)=CCNC(=O)N1CCOC2(CNC2)C1 ZINC000335594166 188348667 /nfs/dbraw/zinc/34/86/67/188348667.db2.gz DGBGVUWMDZNWTP-UHFFFAOYSA-N 0 3 239.319 0.336 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2cncc(F)c2)C1 ZINC000335790883 188349529 /nfs/dbraw/zinc/34/95/29/188349529.db2.gz ZYNHLJXCAUDJHU-GFCCVEGCSA-N 0 3 237.278 0.931 20 0 BCADHN O=C1CCC[C@@H](CNCc2cncs2)N1 ZINC000308920196 491050383 /nfs/dbraw/zinc/05/03/83/491050383.db2.gz IORSQJGJTQMVKQ-QMMMGPOBSA-N 0 3 225.317 0.901 20 0 BCADHN CC(C)N(Cc1ccccn1)C[C@H](O)CO ZINC000336673522 188358321 /nfs/dbraw/zinc/35/83/21/188358321.db2.gz KTTCSPQLEDYOIF-LBPRGKRZSA-N 0 3 224.304 0.645 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000226703389 188359625 /nfs/dbraw/zinc/35/96/25/188359625.db2.gz DUBDJVDLSVLWHY-BBBLOLIVSA-N 0 3 214.309 0.653 20 0 BCADHN N[C@@H](C(=O)NC[C@@H]1CCCOC1)C1CCC1 ZINC000398974164 353402042 /nfs/dbraw/zinc/40/20/42/353402042.db2.gz BXVNKJOZXOCQTQ-GXSJLCMTSA-N 0 3 226.320 0.657 20 0 BCADHN N[C@@H](C(=O)NC[C@H]1CCCOC1)C1CCC1 ZINC000398974169 353402279 /nfs/dbraw/zinc/40/22/79/353402279.db2.gz BXVNKJOZXOCQTQ-MWLCHTKSSA-N 0 3 226.320 0.657 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1[C@H](C)C1(F)F)N(C)C ZINC000412392013 191278859 /nfs/dbraw/zinc/27/88/59/191278859.db2.gz AOUNNLBXAYZLSQ-FXQIFTODSA-N 0 3 220.263 0.954 20 0 BCADHN CCOCCC1(CNC(=O)CNC)CCC1 ZINC000237035669 188368176 /nfs/dbraw/zinc/36/81/76/188368176.db2.gz YRVIHCCZUXOZTG-UHFFFAOYSA-N 0 3 228.336 0.919 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1C[C@@H](O)C1(C)C)N(C)C ZINC000331974682 188368800 /nfs/dbraw/zinc/36/88/00/188368800.db2.gz BXZHOAUJAKGVHX-HBNTYKKESA-N 0 3 242.363 0.848 20 0 BCADHN COC[C@]1(C(=O)NC[C@H](C)N(C)C)CCOC1 ZINC000412392043 191279093 /nfs/dbraw/zinc/27/90/93/191279093.db2.gz ASSJXTMWRKZNJI-CMPLNLGQSA-N 0 3 244.335 0.106 20 0 BCADHN CN1CCC(C(=O)N(CCO)CC2CC2)CC1 ZINC000339774569 188369324 /nfs/dbraw/zinc/36/93/24/188369324.db2.gz VXIGUXKVSHQPKO-UHFFFAOYSA-N 0 3 240.347 0.559 20 0 BCADHN CCOC[C@@H](C)N[C@@H]1CC(=O)N(CC)C1 ZINC000391531186 353413376 /nfs/dbraw/zinc/41/33/76/353413376.db2.gz YMAUFLNVQCYJBL-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@](C)(C(N)=O)C1 ZINC000280337090 188383517 /nfs/dbraw/zinc/38/35/17/188383517.db2.gz ROYBJPWHUZCQTK-LBPRGKRZSA-N 0 3 236.319 0.426 20 0 BCADHN O[C@@H](CNCc1cc[nH]c1)COCC1CC1 ZINC000165664389 353433356 /nfs/dbraw/zinc/43/33/56/353433356.db2.gz FWSKOZRKTSIPDK-LBPRGKRZSA-N 0 3 224.304 0.892 20 0 BCADHN CN1CCC(C(=O)N2CCC[C@@H]2CO)CC1 ZINC000340331052 188389413 /nfs/dbraw/zinc/38/94/13/188389413.db2.gz ORIHSWVSZHPJKG-LLVKDONJSA-N 0 3 226.320 0.312 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000040457840 188397254 /nfs/dbraw/zinc/39/72/54/188397254.db2.gz FZALYKBJTVYQSS-MXWKQRLJSA-N 0 3 228.336 0.996 20 0 BCADHN CC(C)[C@H](C(=O)N(C)[C@H]1CCC[C@@H]1O)N(C)C ZINC000341790629 188398606 /nfs/dbraw/zinc/39/86/06/188398606.db2.gz OHVBCYRAOZDEDI-SDDRHHMPSA-N 0 3 242.363 0.944 20 0 BCADHN C[C@@H](CNC(=O)[C@@]1(C)CCCO1)N(C)C ZINC000412388967 191281916 /nfs/dbraw/zinc/28/19/16/191281916.db2.gz URLWOCLZBUPWAP-GXSJLCMTSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1Cc1c[nH]c2ncncc12 ZINC000639094819 353478987 /nfs/dbraw/zinc/47/89/87/353478987.db2.gz IRNBYVOAEMSUQA-PSASIEDQSA-N 0 3 232.287 0.865 20 0 BCADHN O=C(NCCN1CCCC1)Nc1nncs1 ZINC000193288333 353579097 /nfs/dbraw/zinc/57/90/97/353579097.db2.gz WJRDFCRUFJKZFY-UHFFFAOYSA-N 0 3 241.320 0.755 20 0 BCADHN CSCCNC(=O)[C@@H](N)C1CCC1 ZINC000399017710 353588397 /nfs/dbraw/zinc/58/83/97/353588397.db2.gz FCFGFAJJXLXLOY-QMMMGPOBSA-N 0 3 202.323 0.593 20 0 BCADHN C[C@@H](CNCCOC(C)(C)C)S(C)(=O)=O ZINC000517733039 324176024 /nfs/dbraw/zinc/17/60/24/324176024.db2.gz WGFKOVLGRULGEG-VIFPVBQESA-N 0 3 237.365 0.824 20 0 BCADHN COC(=O)CCN1CCC(C(=O)N(C)C)CC1 ZINC000053399167 363239970 /nfs/dbraw/zinc/23/99/70/363239970.db2.gz NQWRBEGLZNBCFB-UHFFFAOYSA-N 0 3 242.319 0.350 20 0 BCADHN C[C@@H](NC[C@H]1CCN(c2ccccc2)C1)C(N)=O ZINC000639108432 353650202 /nfs/dbraw/zinc/65/02/02/353650202.db2.gz IMWWAPINUCRWLZ-VXGBXAGGSA-N 0 3 247.342 0.976 20 0 BCADHN CNC(=O)[C@H]1CCCN1CCC(=O)NC(C)C ZINC000193979140 353609048 /nfs/dbraw/zinc/60/90/48/353609048.db2.gz OHEKCORKRYYUKQ-SNVBAGLBSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@H](C(=O)N(C)[C@H]1CCOC1)N(C)C ZINC000152558257 324182029 /nfs/dbraw/zinc/18/20/29/324182029.db2.gz UDMVLXTVTMGMCD-VHSXEESVSA-N 0 3 214.309 0.574 20 0 BCADHN CNC(=O)C[C@H](C)N[C@H](C)c1cncnc1C ZINC000577886217 366097215 /nfs/dbraw/zinc/09/72/15/366097215.db2.gz DLKNABVNUXZUHN-WCBMZHEXSA-N 0 3 236.319 0.960 20 0 BCADHN CCN1CCC[C@@H](NC(=O)Cn2cccn2)C1 ZINC000194643761 353690149 /nfs/dbraw/zinc/69/01/49/353690149.db2.gz JRWRAFUYWJJKHM-LLVKDONJSA-N 0 3 236.319 0.484 20 0 BCADHN CC(C)[C@H](C(=O)N1CCO[C@H](CF)C1)N(C)C ZINC000412432574 191284688 /nfs/dbraw/zinc/28/46/88/191284688.db2.gz DOYFPRGIOFRVRR-GHMZBOCLSA-N 0 3 246.326 0.770 20 0 BCADHN O=C1NCC[C@H]1N1CCN(C2CCCC2)CC1 ZINC000178188869 366103266 /nfs/dbraw/zinc/10/32/66/366103266.db2.gz BDCPUUMPJBQTAA-GFCCVEGCSA-N 0 3 237.347 0.435 20 0 BCADHN CNC(=O)[C@@H](N[C@@H](C)[C@@H]1CCCO1)C(C)C ZINC000639112990 353709944 /nfs/dbraw/zinc/70/99/44/353709944.db2.gz WBRSLLMCBCZUBU-DCAQKATOSA-N 0 3 228.336 0.914 20 0 BCADHN CCNC(=O)NC1CCN(CCOC)CC1 ZINC000194982645 353712648 /nfs/dbraw/zinc/71/26/48/353712648.db2.gz USDQASZWRZRJSE-UHFFFAOYSA-N 0 3 229.324 0.416 20 0 BCADHN O=C1CCC[C@H](CNCc2ccc(CO)cc2)N1 ZINC000639116779 353732611 /nfs/dbraw/zinc/73/26/11/353732611.db2.gz ZWPLECZPKDDXLU-CYBMUJFWSA-N 0 3 248.326 0.937 20 0 BCADHN CC1(C)CN(Cc2ccc(=O)[nH]c2)C[C@H]1O ZINC000639118411 353752486 /nfs/dbraw/zinc/75/24/86/353752486.db2.gz YMSKXCPYOSWAKJ-SNVBAGLBSA-N 0 3 222.288 0.990 20 0 BCADHN CC1(C)CN(Cc2ccc(=O)[nH]c2)C[C@@H]1O ZINC000639118409 353752877 /nfs/dbraw/zinc/75/28/77/353752877.db2.gz YMSKXCPYOSWAKJ-JTQLQIEISA-N 0 3 222.288 0.990 20 0 BCADHN CN1CCC[C@@H](CNC(=O)C2CC(C)(O)C2)C1 ZINC000577933285 366107460 /nfs/dbraw/zinc/10/74/60/366107460.db2.gz UVTSFDDHRGJCMR-ZBOXLXRLSA-N 0 3 240.347 0.605 20 0 BCADHN Nc1ncc(CNC[C@@H]2CCSC2)c(N)n1 ZINC000639117762 353747031 /nfs/dbraw/zinc/74/70/31/353747031.db2.gz GZJPBWMFOXGFSL-ZETCQYMHSA-N 0 3 239.348 0.144 20 0 BCADHN C[C@@H](O)[C@@H]1CCCN(CCOCCO)C1 ZINC000136328257 491055924 /nfs/dbraw/zinc/05/59/24/491055924.db2.gz IFCVIPGJYNBSBT-GHMZBOCLSA-N 0 3 217.309 0.088 20 0 BCADHN COC[C@@H](CO)NC[C@H](OC)C1CCCC1 ZINC000639125455 353818129 /nfs/dbraw/zinc/81/81/29/353818129.db2.gz VSMSNGDMPSUDAY-NEPJUHHUSA-N 0 3 231.336 0.789 20 0 BCADHN CC[C@H](C)[C@@H](CN[C@H](CO)COC)OC ZINC000639125627 353821925 /nfs/dbraw/zinc/82/19/25/353821925.db2.gz YDTSQMIIMMZOBF-HBNTYKKESA-N 0 3 219.325 0.644 20 0 BCADHN C[C@H]1CC[C@H](CNCc2cnc(N)nc2N)C1 ZINC000639127250 353838766 /nfs/dbraw/zinc/83/87/66/353838766.db2.gz NOGSKGFSZZVPJF-IUCAKERBSA-N 0 3 235.335 0.828 20 0 BCADHN C[C@H]1C[C@@H](CNC(=O)CNC2CC2)CCO1 ZINC000388842834 353792488 /nfs/dbraw/zinc/79/24/88/353792488.db2.gz HQXFXROQKZUYAS-UWVGGRQHSA-N 0 3 226.320 0.670 20 0 BCADHN CCC[C@@H](NC(=O)Cc1nc[nH]c1C)C(N)=O ZINC000343397854 353877197 /nfs/dbraw/zinc/87/71/97/353877197.db2.gz CHHSMSFLCUIILF-MRVPVSSYSA-N 0 3 238.291 0.031 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2ccn[nH]2)CCCN1C ZINC000343459083 353896145 /nfs/dbraw/zinc/89/61/45/353896145.db2.gz WLXLJPHIDUZEJE-BDAKNGLRSA-N 0 3 222.292 0.622 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N(C)CC1CCC1 ZINC000343410857 353878850 /nfs/dbraw/zinc/87/88/50/353878850.db2.gz BDYPBGNAKFUYRZ-JTQLQIEISA-N 0 3 242.319 0.525 20 0 BCADHN CC[C@H](C)[C@@H](C)NC(=O)[C@H](N)CCC(=O)OC ZINC000343425285 353882205 /nfs/dbraw/zinc/88/22/05/353882205.db2.gz YNRCNTVENDBKNH-IVZWLZJFSA-N 0 3 244.335 0.818 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@H]2COCCO2)CCCN1C ZINC000343432349 353884292 /nfs/dbraw/zinc/88/42/92/353884292.db2.gz IVZWEVJOKINILJ-GMTAPVOTSA-N 0 3 242.319 0.001 20 0 BCADHN CN1CC[C@H](C(=O)N(C2CC2)C2COC2)C1 ZINC000334525004 353896661 /nfs/dbraw/zinc/89/66/61/353896661.db2.gz NCUVTEJLGMXWFD-VIFPVBQESA-N 0 3 224.304 0.328 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1C ZINC000343445438 353890321 /nfs/dbraw/zinc/89/03/21/353890321.db2.gz NPVCAOIOVODQQC-UWVGGRQHSA-N 0 3 236.319 0.633 20 0 BCADHN COC[C@H](C)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343446347 353891065 /nfs/dbraw/zinc/89/10/65/353891065.db2.gz OLPUQCPJCDKEQZ-HBNTYKKESA-N 0 3 228.336 0.868 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NC1CCCCC1 ZINC000343447241 353891350 /nfs/dbraw/zinc/89/13/50/353891350.db2.gz MMLBNRFMRCSCSN-SNVBAGLBSA-N 0 3 242.319 0.716 20 0 BCADHN CO[C@@]1(CN2CC[C@](F)(CO)C2)CCOC1 ZINC000639145692 353851339 /nfs/dbraw/zinc/85/13/39/353851339.db2.gz VSPHPHCZTINLBG-GHMZBOCLSA-N 0 3 233.283 0.198 20 0 BCADHN Cc1cc(CN[C@@H]2CCCNC(=O)C2)n(C)n1 ZINC000639147667 353852388 /nfs/dbraw/zinc/85/23/88/353852388.db2.gz OUSJCVVACGHZTN-SNVBAGLBSA-N 0 3 236.319 0.487 20 0 BCADHN CO[C@@](C)(CN[C@@H](C)C(=O)NCCF)C1CC1 ZINC000639138016 353854752 /nfs/dbraw/zinc/85/47/52/353854752.db2.gz NHTJSFMUQWRVHG-CABZTGNLSA-N 0 3 246.326 0.865 20 0 BCADHN CN(C(=O)[C@H]1CN2CCN1CCC2)C1CCC1 ZINC000343491422 353909656 /nfs/dbraw/zinc/90/96/56/353909656.db2.gz FXZKDUWETFMITK-GFCCVEGCSA-N 0 3 237.347 0.387 20 0 BCADHN OCCN(CCO)CCc1cccc(F)c1F ZINC000343503623 353916009 /nfs/dbraw/zinc/91/60/09/353916009.db2.gz AVVUBKQAVLSOQM-UHFFFAOYSA-N 0 3 245.269 0.794 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1C[C@@H](C)C[C@@H]1C ZINC000343542534 353917940 /nfs/dbraw/zinc/91/79/40/353917940.db2.gz YGHFZDIUKBHVAE-GUBZILKMSA-N 0 3 242.319 0.524 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@](C)(C(N)=O)C1 ZINC000334535570 353921253 /nfs/dbraw/zinc/92/12/53/353921253.db2.gz SWJRKWULWMTOPZ-KCJUWKMLSA-N 0 3 227.308 0.710 20 0 BCADHN COCC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343511825 353924317 /nfs/dbraw/zinc/92/43/17/353924317.db2.gz JAGPZCAWFZUQSL-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN CN1CCC(C(=O)N2C[C@@H](O)C(C)(C)C2)CC1 ZINC000334537502 353924411 /nfs/dbraw/zinc/92/44/11/353924411.db2.gz WHZHXAHKFTWQPW-LLVKDONJSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@H]1OCC[C@H]1C(=O)NCC1=CCN(C)CC1 ZINC000334537601 353925110 /nfs/dbraw/zinc/92/51/10/353925110.db2.gz UCAISDKVLUTLNV-ZYHUDNBSSA-N 0 3 238.331 0.790 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NC1(C)CCCC1 ZINC000343533296 353929668 /nfs/dbraw/zinc/92/96/68/353929668.db2.gz WRNJULOAHZCVMB-VIFPVBQESA-N 0 3 242.319 0.716 20 0 BCADHN C[C@@H]1CN(CCN2C[C@H]3CC[C@@H](C2)O3)C[C@H]1O ZINC000343578280 353938734 /nfs/dbraw/zinc/93/87/34/353938734.db2.gz FBVFNGQBYGIDBH-FVCCEPFGSA-N 0 3 240.347 0.162 20 0 BCADHN CCN(CCOC)C(=O)CN(C)C(C)C ZINC000343582871 353939636 /nfs/dbraw/zinc/93/96/36/353939636.db2.gz QLDIPBBDPVKJKH-UHFFFAOYSA-N 0 3 216.325 0.822 20 0 BCADHN CCN(C(=O)[C@@H](N)CCC(=O)OC)C1CCC1 ZINC000343468433 353899302 /nfs/dbraw/zinc/89/93/02/353899302.db2.gz DMWHUZGGNLKFSE-JTQLQIEISA-N 0 3 242.319 0.668 20 0 BCADHN CC(C)(O)CN(CCN1CCNC1=O)C1CC1 ZINC000343691788 353964921 /nfs/dbraw/zinc/96/49/21/353964921.db2.gz OITSOTPWNZKYFN-UHFFFAOYSA-N 0 3 241.335 0.247 20 0 BCADHN CC(C)C[C@H](CO)N(C)CCN1CCNC1=O ZINC000343690824 353965157 /nfs/dbraw/zinc/96/51/57/353965157.db2.gz NAHRVSGLQQDQTG-LLVKDONJSA-N 0 3 243.351 0.350 20 0 BCADHN CCN1CCCN(C[C@@H](O)C(C)(C)C)CC1=O ZINC000343695715 353965927 /nfs/dbraw/zinc/96/59/27/353965927.db2.gz QOGNHAGBMHJQJK-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CCOCCCN1CCSC[C@@H]1CO ZINC000343705356 353967690 /nfs/dbraw/zinc/96/76/90/353967690.db2.gz FPLPUKIIXXTHJT-JTQLQIEISA-N 0 3 219.350 0.823 20 0 BCADHN CC(C)(C)[C@H](O)CN1CC[C@@H](NC(N)=O)C1 ZINC000343709158 353968674 /nfs/dbraw/zinc/96/86/74/353968674.db2.gz CSFYKESDBVFEBT-RKDXNWHRSA-N 0 3 229.324 0.136 20 0 BCADHN CC(C)(C)[C@H](O)CN1CC[C@H](NC(N)=O)C1 ZINC000343709156 353969106 /nfs/dbraw/zinc/96/91/06/353969106.db2.gz CSFYKESDBVFEBT-DTWKUNHWSA-N 0 3 229.324 0.136 20 0 BCADHN C[C@H](O)C[C@@H]1COCCN1C[C@H](O)C(C)(C)C ZINC000343743051 353970252 /nfs/dbraw/zinc/97/02/52/353970252.db2.gz HBBSQORXCHRPIM-TUAOUCFPSA-N 0 3 245.363 0.865 20 0 BCADHN C[C@@H]1CC(O)C[C@@H](C)N1CCN1CCNC1=O ZINC000343767408 353980940 /nfs/dbraw/zinc/98/09/40/353980940.db2.gz YIAAMMSSIYBQLX-NXEZZACHSA-N 0 3 241.335 0.245 20 0 BCADHN OC[C@@H]1CSCCN1CCCn1ccnc1 ZINC000343767709 353981000 /nfs/dbraw/zinc/98/10/00/353981000.db2.gz ONZKGIZLZJKFKE-LLVKDONJSA-N 0 3 241.360 0.683 20 0 BCADHN OC[C@H]1CSCCN1CCCn1ccnc1 ZINC000343767711 353981213 /nfs/dbraw/zinc/98/12/13/353981213.db2.gz ONZKGIZLZJKFKE-NSHDSACASA-N 0 3 241.360 0.683 20 0 BCADHN CC(C)NC(=O)CCN1CCN(C)C[C@H]1C ZINC000343775591 353986290 /nfs/dbraw/zinc/98/62/90/353986290.db2.gz CXWKKEKUFZVOJG-LLVKDONJSA-N 0 3 227.352 0.537 20 0 BCADHN O=C(NCCNc1ccncc1)c1cscn1 ZINC000343776773 353986878 /nfs/dbraw/zinc/98/68/78/353986878.db2.gz GOTSKEGWBUFYFS-UHFFFAOYSA-N 0 3 248.311 0.802 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@H]1C(C)(C)O ZINC000343731694 353989282 /nfs/dbraw/zinc/98/92/82/353989282.db2.gz AAKGQUZFQQEAOS-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H](CNC(=O)COC1CCOCC1)N(C)C ZINC000343681826 353963080 /nfs/dbraw/zinc/96/30/80/353963080.db2.gz CEYUHDTZMQKKAI-SNVBAGLBSA-N 0 3 244.335 0.248 20 0 BCADHN COC(=O)C[C@H](C)C(=O)N(C)CCN(C)C ZINC000343684293 353963120 /nfs/dbraw/zinc/96/31/20/353963120.db2.gz RXCQVSKYKBZGSI-VIFPVBQESA-N 0 3 230.308 0.206 20 0 BCADHN CC[C@H](C(=O)NCC(C)(C)CCO)N(C)C ZINC000178594532 366144062 /nfs/dbraw/zinc/14/40/62/366144062.db2.gz VNQHJORKVWIAFG-SNVBAGLBSA-N 0 3 230.352 0.851 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N(C)CCC1CC1 ZINC000343842018 354020338 /nfs/dbraw/zinc/02/03/38/354020338.db2.gz AHCACVNBKHHXDO-SNVBAGLBSA-N 0 3 242.319 0.525 20 0 BCADHN CO[C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC000343868316 354027682 /nfs/dbraw/zinc/02/76/82/354027682.db2.gz PESMKLFVHPYCAW-JTQLQIEISA-N 0 3 216.325 0.820 20 0 BCADHN CN(C[C@H](O)C(C)(C)C)[C@H]1COC[C@H]1O ZINC000343949710 354069280 /nfs/dbraw/zinc/06/92/80/354069280.db2.gz XBRREAWWYFPPSX-AEJSXWLSSA-N 0 3 217.309 0.085 20 0 BCADHN CN(C[C@H](O)C(C)(C)C)[C@@H]1COC[C@@H]1O ZINC000343949715 354069500 /nfs/dbraw/zinc/06/95/00/354069500.db2.gz XBRREAWWYFPPSX-UTLUCORTSA-N 0 3 217.309 0.085 20 0 BCADHN O=C(NCCNCc1cc[nH]c1)c1cnccn1 ZINC000343951475 354070024 /nfs/dbraw/zinc/07/00/24/354070024.db2.gz MVBKCDLJNLFWKC-UHFFFAOYSA-N 0 3 245.286 0.324 20 0 BCADHN CCOC1CC(N(C)CCN2CCNC2=O)C1 ZINC000343952329 354070474 /nfs/dbraw/zinc/07/04/74/354070474.db2.gz FVRCMKRZZFEKNR-UHFFFAOYSA-N 0 3 241.335 0.511 20 0 BCADHN CN(C)CCNC(=O)COCC(F)(F)F ZINC000344024102 354085284 /nfs/dbraw/zinc/08/52/84/354085284.db2.gz VMHWHWDHTWQLNA-UHFFFAOYSA-N 0 3 228.214 0.243 20 0 BCADHN CC(C)n1ncnc1CN(C)CCN(C)C ZINC000639166986 354045126 /nfs/dbraw/zinc/04/51/26/354045126.db2.gz AATHUTFBVVEWNC-UHFFFAOYSA-N 0 3 225.340 0.852 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CC(C)=C[C@H](C)C1 ZINC000343937187 354047625 /nfs/dbraw/zinc/04/76/25/354047625.db2.gz JRDSTONTLRPMHH-CABZTGNLSA-N 0 3 227.304 0.808 20 0 BCADHN COCCOCCN(C)C[C@H](O)CSC ZINC000344064339 354130386 /nfs/dbraw/zinc/13/03/86/354130386.db2.gz FGFPWFLMBALHSU-JTQLQIEISA-N 0 3 237.365 0.305 20 0 BCADHN O=C(C[C@H]1CCCO1)N[C@H]1CNCCC1(F)F ZINC000334577073 354110507 /nfs/dbraw/zinc/11/05/07/354110507.db2.gz CUKCRUMDHYKLAE-BDAKNGLRSA-N 0 3 248.273 0.669 20 0 BCADHN CCC[C@@]1(CO)CCN([C@H](C)C(N)=O)C1 ZINC000344164804 354168975 /nfs/dbraw/zinc/16/89/75/354168975.db2.gz MOJBVIHFBJYUQE-MWLCHTKSSA-N 0 3 214.309 0.345 20 0 BCADHN COCCN(CCN(C)C)Cc1ccon1 ZINC000639173141 354175457 /nfs/dbraw/zinc/17/54/57/354175457.db2.gz UXOUCBBUIXIMCZ-UHFFFAOYSA-N 0 3 227.308 0.685 20 0 BCADHN CNC(=O)CN[C@H](CCO)C(C)(C)C ZINC000231079139 363338492 /nfs/dbraw/zinc/33/84/92/363338492.db2.gz VJSVKRXTDMAQBK-MRVPVSSYSA-N 0 3 202.298 0.119 20 0 BCADHN C[C@@H]1C[C@H](CO)CCN1CCN1CCOCC1 ZINC000344124594 354145467 /nfs/dbraw/zinc/14/54/67/354145467.db2.gz GNCIWEXNLCXISE-CHWSQXEVSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@H]1C[C@H](CO)CCN1CCN1CCCC1=O ZINC000344128692 354147633 /nfs/dbraw/zinc/14/76/33/354147633.db2.gz LDLGXFBUJSFBRL-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H]1C[C@H](CO)CCN1CCn1cncn1 ZINC000344132054 354148375 /nfs/dbraw/zinc/14/83/75/354148375.db2.gz OIJRHKJAYOUHEU-GHMZBOCLSA-N 0 3 224.308 0.371 20 0 BCADHN CNC(=O)[C@H]1CCCCN1CC1(C)COC1 ZINC000344154168 354156795 /nfs/dbraw/zinc/15/67/95/354156795.db2.gz GNNBTICUDKRFAJ-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CCN(C)C(=O)CCN(C)CCOCCOC ZINC000344104522 354159759 /nfs/dbraw/zinc/15/97/59/354159759.db2.gz GCDSZSWTWNRNAO-UHFFFAOYSA-N 0 3 246.351 0.450 20 0 BCADHN CCC[C@]1(CO)CCN([C@@H](C)C(=O)N(C)C)C1 ZINC000344237880 354186363 /nfs/dbraw/zinc/18/63/63/354186363.db2.gz PDBDOKPNHGKPRF-AAEUAGOBSA-N 0 3 242.363 0.948 20 0 BCADHN CCC[C@@]1(CO)CCN([C@H]2CCNC2=O)C1 ZINC000344266954 354194552 /nfs/dbraw/zinc/19/45/52/354194552.db2.gz LVFGYCPURPNNCG-CMPLNLGQSA-N 0 3 226.320 0.359 20 0 BCADHN CCCC(=O)N[C@H]1CNCCC1(F)F ZINC000334580977 354199087 /nfs/dbraw/zinc/19/90/87/354199087.db2.gz KQWDMCSFECVPPT-ZETCQYMHSA-N 0 3 206.236 0.900 20 0 BCADHN COCCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000334581576 354199494 /nfs/dbraw/zinc/19/94/94/354199494.db2.gz VOJNBVAPDUVFFP-RKDXNWHRSA-N 0 3 215.297 0.025 20 0 BCADHN COCCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000334581572 354199516 /nfs/dbraw/zinc/19/95/16/354199516.db2.gz VOJNBVAPDUVFFP-DTWKUNHWSA-N 0 3 215.297 0.025 20 0 BCADHN Cn1cccc1C(=O)N[C@@H]1CNCCC1(F)F ZINC000334582466 354202363 /nfs/dbraw/zinc/20/23/63/354202363.db2.gz QPQGEJUDYSXYOK-SECBINFHSA-N 0 3 243.257 0.752 20 0 BCADHN CNC(=O)CN(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000344299936 354212111 /nfs/dbraw/zinc/21/21/11/354212111.db2.gz XFFQHSGVYDKERL-AOOOYVTPSA-N 0 3 241.335 0.064 20 0 BCADHN CO[C@@H]1[C@H](C)[C@@H](N[C@H]2CCN(C)C2=O)C1(C)C ZINC000344466492 354266348 /nfs/dbraw/zinc/26/63/48/354266348.db2.gz AOHHHAUTJZBSQJ-LMLFDSFASA-N 0 3 240.347 0.866 20 0 BCADHN CC[C@H](C(=O)N1CCO[C@H](CF)C1)N(C)C ZINC000412543451 191296337 /nfs/dbraw/zinc/29/63/37/191296337.db2.gz BBKUPCAQYXSJPR-NXEZZACHSA-N 0 3 232.299 0.524 20 0 BCADHN CN1CC[C@](O)(CNC(=O)C2=CCCC2)C1 ZINC000334590526 354220910 /nfs/dbraw/zinc/22/09/10/354220910.db2.gz BSVCKCIDLAWCAG-LBPRGKRZSA-N 0 3 224.304 0.280 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)C2CCCCC2)C1 ZINC000334596241 354229998 /nfs/dbraw/zinc/22/99/98/354229998.db2.gz XLBYXXSSECXQNM-CYBMUJFWSA-N 0 3 240.347 0.750 20 0 BCADHN CC[C@@H](O)CN1CCCN(C(=O)C2CC2)CC1 ZINC000121449939 358485469 /nfs/dbraw/zinc/48/54/69/358485469.db2.gz OYHVSLCJBNNJBA-GFCCVEGCSA-N 0 3 240.347 0.702 20 0 BCADHN COCC[C@](C)(O)CNCc1cnc(C)nc1 ZINC000344343795 354237620 /nfs/dbraw/zinc/23/76/20/354237620.db2.gz HCQOZQDIJLMVRY-LBPRGKRZSA-N 0 3 239.319 0.662 20 0 BCADHN O=C(COC1CNC1)NCCc1ccsc1 ZINC000344554555 354292917 /nfs/dbraw/zinc/29/29/17/354292917.db2.gz XGMHKDGVMGLYCU-UHFFFAOYSA-N 0 3 240.328 0.395 20 0 BCADHN O=C1CC[C@H]2CN(CC[C@@H]3CCOC3)CCN12 ZINC000334616020 354302965 /nfs/dbraw/zinc/30/29/65/354302965.db2.gz QGTBVLQGNNZAIS-NEPJUHHUSA-N 0 3 238.331 0.720 20 0 BCADHN CCCN(C)CC(=O)NCc1snnc1C ZINC000344631224 354330312 /nfs/dbraw/zinc/33/03/12/354330312.db2.gz PHSMIHGTRBHDPC-UHFFFAOYSA-N 0 3 242.348 0.805 20 0 BCADHN Cn1cnc(C(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000178727476 366158845 /nfs/dbraw/zinc/15/88/45/366158845.db2.gz MZLWORITYFLFHG-JTQLQIEISA-N 0 3 236.319 0.492 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@](C)(O)C1)N(C)C ZINC000178740494 366158912 /nfs/dbraw/zinc/15/89/12/366158912.db2.gz CQBZVVMWRHSXGP-ONGXEEELSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@H](CNC(=O)Cc1ccon1)N(C)C ZINC000344653040 354338924 /nfs/dbraw/zinc/33/89/24/354338924.db2.gz JKKYWLJCARLBPU-MRVPVSSYSA-N 0 3 211.265 0.283 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCc1ccc(C(N)=O)nc1 ZINC000344974361 354386107 /nfs/dbraw/zinc/38/61/07/354386107.db2.gz PBJKLILWLSZTOP-SKDRFNHKSA-N 0 3 248.330 0.220 20 0 BCADHN CCCCOCC(=O)NC[C@@H](C)N(C)C ZINC000345012035 354393932 /nfs/dbraw/zinc/39/39/32/354393932.db2.gz GWQQKUSFQHYECY-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN C[C@H](O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000345014008 354394067 /nfs/dbraw/zinc/39/40/67/354394067.db2.gz MICOXQYWKPTBHG-ZJUUUORDSA-N 0 3 214.309 0.215 20 0 BCADHN c1cn(CCN2CCC[C@H](n3ccnn3)C2)cn1 ZINC000578008231 366175954 /nfs/dbraw/zinc/17/59/54/366175954.db2.gz PZZLKESOLQOZLW-LBPRGKRZSA-N 0 3 246.318 0.812 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345015712 354394696 /nfs/dbraw/zinc/39/46/96/354394696.db2.gz SNPADOFBVVLWDH-MWLCHTKSSA-N 0 3 236.319 0.931 20 0 BCADHN COCCC(=O)N1CCN(C)CC[C@H]1C ZINC000334647158 354437879 /nfs/dbraw/zinc/43/78/79/354437879.db2.gz YYOMEYMGDFFTBE-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN Cn1ncc2c1CCCN(CC(C)(C)O)C2 ZINC000334643994 354401463 /nfs/dbraw/zinc/40/14/63/354401463.db2.gz 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ZINC000334737981 354540448 /nfs/dbraw/zinc/54/04/48/354540448.db2.gz JJZJOWURLQSWAN-NSHDSACASA-N 0 3 225.336 0.293 20 0 BCADHN Cn1cc(-c2noc([C@H]3CCN(C)C3)n2)cn1 ZINC000349742869 366224376 /nfs/dbraw/zinc/22/43/76/366224376.db2.gz SVHXOGOUUJDHKF-QMMMGPOBSA-N 0 3 233.275 0.889 20 0 BCADHN CCN1CC[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000334805596 354562000 /nfs/dbraw/zinc/56/20/00/354562000.db2.gz GRTJKNGBDODTQA-NSHDSACASA-N 0 3 221.304 0.849 20 0 BCADHN C[C@@H]1[C@H](C)N(CCN2CCCC2=O)CCN1C ZINC000334814386 354571996 /nfs/dbraw/zinc/57/19/96/354571996.db2.gz TZAOEDCQJJGDBX-NEPJUHHUSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)N[C@@H]1CCOC1 ZINC000379433809 358488058 /nfs/dbraw/zinc/48/80/58/358488058.db2.gz KQQFFEIZGQTGET-IVZWLZJFSA-N 0 3 227.308 0.167 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)[C@H]1CCCOC1 ZINC000334761259 354581752 /nfs/dbraw/zinc/58/17/52/354581752.db2.gz GQGWYWZVELGYTC-IUCAKERBSA-N 0 3 248.273 0.526 20 0 BCADHN CC[C@@H](C)[C@@H](CN[C@@H](CO)COC)OC ZINC000639194249 354596271 /nfs/dbraw/zinc/59/62/71/354596271.db2.gz YDTSQMIIMMZOBF-OUAUKWLOSA-N 0 3 219.325 0.644 20 0 BCADHN Cn1cncc1CN[C@@H]1CCc2c[nH]nc2C1 ZINC000334797098 354551714 /nfs/dbraw/zinc/55/17/14/354551714.db2.gz MTVDJCMKOULDEA-SNVBAGLBSA-N 0 3 231.303 0.790 20 0 BCADHN CN(C)CC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000335089899 354625324 /nfs/dbraw/zinc/62/53/24/354625324.db2.gz HCINAUGLMMGTTC-WDEREUQCSA-N 0 3 225.336 0.101 20 0 BCADHN COCCC1(C)CN(CC2(O)CCOCC2)C1 ZINC000345486159 354666113 /nfs/dbraw/zinc/66/61/13/354666113.db2.gz WMTUFJOVIFSXFC-UHFFFAOYSA-N 0 3 243.347 0.886 20 0 BCADHN COCCC1(C)CN(CCC(N)=O)C1 ZINC000345482974 354665451 /nfs/dbraw/zinc/66/54/51/354665451.db2.gz RNBUFXIOXFXOQE-UHFFFAOYSA-N 0 3 200.282 0.220 20 0 BCADHN CO[C@@H](CNC1COCCOC1)[C@@H]1CCOC1 ZINC000639201405 354605198 /nfs/dbraw/zinc/60/51/98/354605198.db2.gz VFZZJRYADHXLEI-PWSUYJOCSA-N 0 3 245.319 0.043 20 0 BCADHN CCCN(CCC[C@@H]1CCO1)CC(N)=O ZINC000639202941 354609110 /nfs/dbraw/zinc/60/91/10/354609110.db2.gz DBORSXBHFONAQX-SNVBAGLBSA-N 0 3 214.309 0.753 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2ccc[nH]c2=O)CCCN1C ZINC000345320829 354610083 /nfs/dbraw/zinc/61/00/83/354610083.db2.gz OAJMIVHIHYDGSL-ONGXEEELSA-N 0 3 249.314 1.000 20 0 BCADHN CCC(=O)N1CCCN(C[C@H](C)O)CC1 ZINC000366895272 354610723 /nfs/dbraw/zinc/61/07/23/354610723.db2.gz KCFMMIVLDMKGBX-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN C[C@H](CNC(=O)COCC(F)(F)F)N(C)C ZINC000345326187 354611440 /nfs/dbraw/zinc/61/14/40/354611440.db2.gz IFRWKHZJVKBACZ-SSDOTTSWSA-N 0 3 242.241 0.632 20 0 BCADHN CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000345327526 354611715 /nfs/dbraw/zinc/61/17/15/354611715.db2.gz PXHPMYWVBYEHGL-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN C[C@@H]1CN(CCN2CCOCC2)[C@H](C)CN1C ZINC000351933157 134013962 /nfs/dbraw/zinc/01/39/62/134013962.db2.gz AJRCKWRQUXNACV-CHWSQXEVSA-N 0 3 241.379 0.343 20 0 BCADHN C[C@H]1C[C@@H](C(=O)N(C)CCN(C)C)CCO1 ZINC000345280246 354614802 /nfs/dbraw/zinc/61/48/02/354614802.db2.gz FRSUTJGAUOFKDS-QWRGUYRKSA-N 0 3 228.336 0.822 20 0 BCADHN C[C@@H]1CN(CCN2CCOCC2)[C@@H](C)CN1C ZINC000351933163 134014204 /nfs/dbraw/zinc/01/42/04/134014204.db2.gz AJRCKWRQUXNACV-OLZOCXBDSA-N 0 3 241.379 0.343 20 0 BCADHN CN(CCC(=O)N(C)C)C[C@H]1CCCCO1 ZINC000345349780 354623555 /nfs/dbraw/zinc/62/35/55/354623555.db2.gz QSEBKFWPBVVGRL-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@](F)(CO)C1)N(C)C ZINC000345679858 354731019 /nfs/dbraw/zinc/73/10/19/354731019.db2.gz KLRLCMHAQFJVEX-CMPLNLGQSA-N 0 3 246.326 0.650 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)COC(F)F)[C@@H]2C1 ZINC000335103003 354686876 /nfs/dbraw/zinc/68/68/76/354686876.db2.gz KEDLIAASKGUACW-DTWKUNHWSA-N 0 3 248.273 0.778 20 0 BCADHN C[C@@H](CC(N)=O)C(=O)N1CCN2CCC1CC2 ZINC000335105150 354689596 /nfs/dbraw/zinc/68/95/96/354689596.db2.gz RMRBZAJIZXDKRW-VIFPVBQESA-N 0 3 239.319 0.854 20 0 BCADHN C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)N(C)C ZINC000335111762 354698227 /nfs/dbraw/zinc/69/82/27/354698227.db2.gz UYGYZUQSZZFWDD-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN CC(C(=O)N1CCC(F)(F)C1)S(C)(=O)=O ZINC000345626679 354717592 /nfs/dbraw/zinc/71/75/92/354717592.db2.gz PEOIKCBQFVOMDP-LURJTMIESA-N 0 3 241.259 0.287 20 0 BCADHN CC(C)OCCN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000366908541 354717968 /nfs/dbraw/zinc/71/79/68/354717968.db2.gz DIAJYCHQKIQGKL-MNOVXSKESA-N 0 3 242.319 0.842 20 0 BCADHN C[C@H](O)CN(CCO)CCOC1CCC1 ZINC000351951356 134016035 /nfs/dbraw/zinc/01/60/35/134016035.db2.gz ZSPJCZVTADJXCF-JTQLQIEISA-N 0 3 217.309 0.231 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)N(C)C ZINC000345439243 354668780 /nfs/dbraw/zinc/66/87/80/354668780.db2.gz AFFCYDQZKVKAKB-QCNOEVLYSA-N 0 3 240.347 0.556 20 0 BCADHN CC1(CNCC(=O)NC2CCCC2)COC1 ZINC000087197580 491066718 /nfs/dbraw/zinc/06/67/18/491066718.db2.gz RPARKUKPUAEPQG-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN C[C@@H]1CC[C@H](C(=O)NC[C@](C)(O)CN(C)C)C1 ZINC000345533770 354675296 /nfs/dbraw/zinc/67/52/96/354675296.db2.gz QMMJBTOUOHFAGB-MDZLAQPJSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@H]1[C@@H](NC(=O)N(C)CCO)CCCN1C ZINC000345734958 354747733 /nfs/dbraw/zinc/74/77/33/354747733.db2.gz CQIOUHUZAWFOBK-UWVGGRQHSA-N 0 3 229.324 0.103 20 0 BCADHN C[C@@H]1COC[C@@H](C)N1C(=O)[C@H](N)CC(F)F ZINC000345702597 354753217 /nfs/dbraw/zinc/75/32/17/354753217.db2.gz BQNVFEXOKRYRCF-BWZBUEFSSA-N 0 3 236.262 0.605 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC000412761044 191310845 /nfs/dbraw/zinc/31/08/45/191310845.db2.gz USJQAAOFWQGHML-AOOOYVTPSA-N 0 3 242.319 0.396 20 0 BCADHN CC(C)(O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000232559756 363375528 /nfs/dbraw/zinc/37/55/28/363375528.db2.gz VKBUKLNTSQGNIO-SECBINFHSA-N 0 3 212.293 0.064 20 0 BCADHN CNC(=O)NC(=O)CN1CC[C@@H](C(C)(C)C)C1 ZINC000335133728 354780920 /nfs/dbraw/zinc/78/09/20/354780920.db2.gz QOGJDUDQSMBJCF-SECBINFHSA-N 0 3 241.335 0.810 20 0 BCADHN CCC[C@H](O)CN1C[C@@H](OC)[C@@H](OC)C1 ZINC000233382477 363401288 /nfs/dbraw/zinc/40/12/88/363401288.db2.gz OXCQYLRKEBRFCR-GARJFASQSA-N 0 3 217.309 0.493 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](CO)C(C)C)N(C)C ZINC000345858724 354807620 /nfs/dbraw/zinc/80/76/20/354807620.db2.gz GHXKZWMRRFHGPC-QWRGUYRKSA-N 0 3 230.352 0.707 20 0 BCADHN CS[C@H](C)CC(=O)NCCOCCN(C)C ZINC000345926408 354809914 /nfs/dbraw/zinc/80/99/14/354809914.db2.gz FLTNPUUMVMQASZ-SNVBAGLBSA-N 0 3 248.392 0.822 20 0 BCADHN CN(C)CCOCCNC(=O)C1(C)CC1 ZINC000345934176 354812589 /nfs/dbraw/zinc/81/25/89/354812589.db2.gz OMVCXUKTELUJHG-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN CCNC(=O)CNC(=O)[C@H](CC)N(CC)CC ZINC000345945408 354816664 /nfs/dbraw/zinc/81/66/64/354816664.db2.gz BIGHSPQLELQYBV-JTQLQIEISA-N 0 3 243.351 0.359 20 0 BCADHN CC(C)[C@@H](CO)CNC(=O)C1CCN(C)CC1 ZINC000345951550 354818157 /nfs/dbraw/zinc/81/81/57/354818157.db2.gz HZHPEINLDABKQC-GFCCVEGCSA-N 0 3 242.363 0.709 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)C(=O)OC)N(CC)CC ZINC000345956532 354819939 /nfs/dbraw/zinc/81/99/39/354819939.db2.gz KKAZWWFOKDWEOJ-NXEZZACHSA-N 0 3 244.335 0.785 20 0 BCADHN C[C@H](C(=O)NCCOCCN(C)C)C1CC1 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0 3 244.379 0.800 20 0 BCADHN CN(CCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC000346550848 354985015 /nfs/dbraw/zinc/98/50/15/354985015.db2.gz RTFBIKUQDWPLLJ-NSHDSACASA-N 0 3 225.336 0.291 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1CCOCCO ZINC000351942511 134024959 /nfs/dbraw/zinc/02/49/59/134024959.db2.gz AVBBGRMQBPFNGM-WDEREUQCSA-N 0 3 216.325 0.020 20 0 BCADHN CCNS(=O)(=O)NCC1(N(C)C)CCCC1 ZINC000346613261 354993470 /nfs/dbraw/zinc/99/34/70/354993470.db2.gz ZKGGPAIQIGTTSA-UHFFFAOYSA-N 0 3 249.380 0.305 20 0 BCADHN CC(C)[C@](C)(O)CN1CCCN(C)C(=O)C1 ZINC000365000607 491071489 /nfs/dbraw/zinc/07/14/89/491071489.db2.gz LCEQNXZBEXDCNS-GFCCVEGCSA-N 0 3 228.336 0.558 20 0 BCADHN CN(C)CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000335201819 355036223 /nfs/dbraw/zinc/03/62/23/355036223.db2.gz XYOZMMNUZHBDCE-UHFFFAOYSA-N 0 3 236.319 0.677 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000335202477 355036949 /nfs/dbraw/zinc/03/69/49/355036949.db2.gz CDUYJOLSLDYGJI-NWDGAFQWSA-N 0 3 241.379 0.878 20 0 BCADHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CC(N)=O ZINC000408141754 491071621 /nfs/dbraw/zinc/07/16/21/491071621.db2.gz XXVLAPHPPUTWFL-VIFPVBQESA-N 0 3 241.335 0.051 20 0 BCADHN CC[C@H](F)CN1C[C@H](C)[C@@H](C(N)=O)C1 ZINC000346656949 355004855 /nfs/dbraw/zinc/00/48/55/355004855.db2.gz KZZWBJRVDFJPNJ-CIUDSAMLSA-N 0 3 202.273 0.788 20 0 BCADHN COc1ccnc(CN2C[C@H](C)[C@H](C(N)=O)C2)c1 ZINC000346666306 355006423 /nfs/dbraw/zinc/00/64/23/355006423.db2.gz OWZOVXLSMMRPTD-JOYOIKCWSA-N 0 3 249.314 0.643 20 0 BCADHN COC(=O)[C@H]1CCN(CCn2cccn2)[C@H]1C ZINC000346684025 355011714 /nfs/dbraw/zinc/01/17/14/355011714.db2.gz GOSGVQOCAPVFAD-QWRGUYRKSA-N 0 3 237.303 0.767 20 0 BCADHN COC(=O)[C@@H]1CCN(Cc2cnn(C)c2)[C@H]1C ZINC000346686190 355013100 /nfs/dbraw/zinc/01/31/00/355013100.db2.gz JJPUODCNYKDGIW-GXSJLCMTSA-N 0 3 237.303 0.804 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](C)C1 ZINC000335960981 134027149 /nfs/dbraw/zinc/02/71/49/134027149.db2.gz FSNMGMOIXYKVOX-DTWKUNHWSA-N 0 3 227.308 0.562 20 0 BCADHN 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/nfs/dbraw/zinc/23/59/37/355235937.db2.gz YWWLZXFCJSBULN-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN OCCCSCCN1CCCOCC1 ZINC000413010923 191339999 /nfs/dbraw/zinc/33/99/99/191339999.db2.gz AFMKXBXAQGZAEE-UHFFFAOYSA-N 0 3 219.350 0.824 20 0 BCADHN C[C@H]1OCCN(C(=O)CCOC2CNC2)[C@@H]1C ZINC000347639102 355244383 /nfs/dbraw/zinc/24/43/83/355244383.db2.gz CFKYGPQQTCRWFY-NXEZZACHSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@@H]1OCCN(C(=O)CCOC2CNC2)[C@H]1C ZINC000347639104 355244585 /nfs/dbraw/zinc/24/45/85/355244585.db2.gz CFKYGPQQTCRWFY-UWVGGRQHSA-N 0 3 242.319 0.001 20 0 BCADHN CC[C@H](CN(C)CC(C)(CO)CO)OC ZINC000412978785 191349552 /nfs/dbraw/zinc/34/95/52/191349552.db2.gz RDRNYHUFTDSKNT-SNVBAGLBSA-N 0 3 219.325 0.334 20 0 BCADHN Cn1nc(N2CCN3CCCC[C@H]3C2)ccc1=O ZINC000413057153 191351569 /nfs/dbraw/zinc/35/15/69/191351569.db2.gz XNIQHYSWCGYROD-NSHDSACASA-N 0 3 248.330 0.455 20 0 BCADHN COCC(COC)NC[C@H](OC)[C@H]1CCOC1 ZINC000639236614 355219403 /nfs/dbraw/zinc/21/94/03/355219403.db2.gz QVMDEZGJGUOOHX-JQWIXIFHSA-N 0 3 247.335 0.289 20 0 BCADHN CC[C@H](C)[C@H](CN1C[C@@H](O)[C@H](OC)C1)OC ZINC000639246698 355275027 /nfs/dbraw/zinc/27/50/27/355275027.db2.gz HPLPURANCCFMKG-WHOHXGKFSA-N 0 3 231.336 0.739 20 0 BCADHN CC[C@@]1(O)CCN(Cc2cncn2C)C1 ZINC000335292465 355268746 /nfs/dbraw/zinc/26/87/46/355268746.db2.gz XUPDDOHWOMPUQY-LLVKDONJSA-N 0 3 209.293 0.767 20 0 BCADHN CCN(C)C(=O)CCN1CCN(C)CC1(C)C ZINC000347593876 355250206 /nfs/dbraw/zinc/25/02/06/355250206.db2.gz PFWCQROVVVNDSK-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CN(C)C[C@H]1CCN(CCCS(C)(=O)=O)C1 ZINC000113514214 355251069 /nfs/dbraw/zinc/25/10/69/355251069.db2.gz QECPATIABNDEDS-LLVKDONJSA-N 0 3 248.392 0.305 20 0 BCADHN CN(CCN(C)C1CC1)c1ccc(=O)n(C)n1 ZINC000413236348 191365456 /nfs/dbraw/zinc/36/54/56/191365456.db2.gz SOZQZOWKQPERMM-UHFFFAOYSA-N 0 3 236.319 0.311 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@@H]1CN(C)C)N(C)C ZINC000413344910 191373894 /nfs/dbraw/zinc/37/38/94/191373894.db2.gz XEKOHBNCLKVFOR-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H]1CN(C)C)N(C)C ZINC000413344915 191374263 /nfs/dbraw/zinc/37/42/63/191374263.db2.gz XEKOHBNCLKVFOR-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN C[C@H]1C[C@@H]1CNC(=O)N1CCCNCC1 ZINC000335287878 355257447 /nfs/dbraw/zinc/25/74/47/355257447.db2.gz QJDZZFZUQIYVLB-VHSXEESVSA-N 0 3 211.309 0.647 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)N1CCCNCC1 ZINC000335287876 355257726 /nfs/dbraw/zinc/25/77/26/355257726.db2.gz QJDZZFZUQIYVLB-NXEZZACHSA-N 0 3 211.309 0.647 20 0 BCADHN CCOC(=O)[C@H](C)N(C)C(=O)[C@H](CC)N(C)C ZINC000413424689 191379725 /nfs/dbraw/zinc/37/97/25/191379725.db2.gz XNPFWOJLOAUGCH-UWVGGRQHSA-N 0 3 244.335 0.737 20 0 BCADHN CN1CCC[C@@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000623226458 355291162 /nfs/dbraw/zinc/29/11/62/355291162.db2.gz BCDHLSGRHTZHJI-WDEREUQCSA-N 0 3 225.336 0.291 20 0 BCADHN CO[C@@H](CN1CC(C)(CO)C1)C1CCOCC1 ZINC000639254933 355294904 /nfs/dbraw/zinc/29/49/04/355294904.db2.gz HLTPSEIMZAGQKH-LBPRGKRZSA-N 0 3 243.347 0.742 20 0 BCADHN CO[C@H](CN1CC(C)(CO)C1)[C@@H]1CCOC1 ZINC000639255750 355296493 /nfs/dbraw/zinc/29/64/93/355296493.db2.gz YACYGJZVWWDUFB-GHMZBOCLSA-N 0 3 229.320 0.352 20 0 BCADHN CCn1cncc1CNC[C@H]1C[C@@H](O)C1 ZINC000623748942 355296947 /nfs/dbraw/zinc/29/69/47/355296947.db2.gz ORDJFLLMIOGRSV-JGZJWPJOSA-N 0 3 209.293 0.764 20 0 BCADHN COCC1(C)CN(C[C@@]2(OC)CCOC2)C1 ZINC000639255411 355298992 /nfs/dbraw/zinc/29/89/92/355298992.db2.gz RGMNFXJNKDYENG-LBPRGKRZSA-N 0 3 229.320 0.760 20 0 BCADHN CC[C@](C)(CN[C@@H]1COC[C@@H]1OC)OC ZINC000639258392 355305985 /nfs/dbraw/zinc/30/59/85/355305985.db2.gz IFNDUAGJHXYYTQ-OUAUKWLOSA-N 0 3 217.309 0.805 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H](C)Cc1cnccn1 ZINC000639258552 355306287 /nfs/dbraw/zinc/30/62/87/355306287.db2.gz JTSDKKXKEGVBSV-ZMLRMANQSA-N 0 3 237.303 0.411 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC1CC(n2cccn2)C1 ZINC000639258572 355306337 /nfs/dbraw/zinc/30/63/37/355306337.db2.gz KEGQSQAMYJCQLQ-MMVSWEMESA-N 0 3 237.303 0.590 20 0 BCADHN O=C1NCCC[C@H]1CNCc1ccc(CO)cc1 ZINC000639260044 355310447 /nfs/dbraw/zinc/31/04/47/355310447.db2.gz ITVBFJIUGZBNDI-ZDUSSCGKSA-N 0 3 248.326 0.795 20 0 BCADHN Cc1cc(NC(=O)CCOC2CNC2)ccn1 ZINC000348986607 355336159 /nfs/dbraw/zinc/33/61/59/355336159.db2.gz CJGCOQNQVAMXQR-UHFFFAOYSA-N 0 3 235.287 0.129 20 0 BCADHN Cc1cc(CN2CC[C@H](C(=O)N(C)C)C2)on1 ZINC000639262168 355315989 /nfs/dbraw/zinc/31/59/89/355315989.db2.gz GINXWLDCDDUFHO-JTQLQIEISA-N 0 3 237.303 0.893 20 0 BCADHN COCC[C@@H](C)CNCc1cnc(N)nc1N ZINC000639262657 355317417 /nfs/dbraw/zinc/31/74/17/355317417.db2.gz VHLNCXSQBUHGOH-MRVPVSSYSA-N 0 3 239.323 0.064 20 0 BCADHN CNC(=O)C1CN(CC2CCSCC2)C1 ZINC000639263934 355319927 /nfs/dbraw/zinc/31/99/27/355319927.db2.gz IKMCQZLRNZAVES-UHFFFAOYSA-N 0 3 228.361 0.807 20 0 BCADHN COC1CCN(C(=O)CCOC2CNC2)CC1 ZINC000348988614 355336764 /nfs/dbraw/zinc/33/67/64/355336764.db2.gz BKVXUGBTNTZNGL-UHFFFAOYSA-N 0 3 242.319 0.002 20 0 BCADHN CNC(=O)C1CN(C[C@](C)(OC)C2CC2)C1 ZINC000639268799 355328577 /nfs/dbraw/zinc/32/85/77/355328577.db2.gz PYNOUHVSRSYLNH-LBPRGKRZSA-N 0 3 226.320 0.479 20 0 BCADHN COCC[C@H](C)CNC(=O)NC[C@H](C)N(C)C ZINC000413595021 191399737 /nfs/dbraw/zinc/39/97/37/191399737.db2.gz NQZRSCMPYKNBPN-QWRGUYRKSA-N 0 3 245.367 0.908 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H]1CO)N(C)C ZINC000413651300 191401876 /nfs/dbraw/zinc/40/18/76/191401876.db2.gz XMWYEJRXKVMNCZ-NXEZZACHSA-N 0 3 214.309 0.310 20 0 BCADHN CCC[C@H](CN1CC(C(=O)NCC)C1)OC ZINC000639251367 355284149 /nfs/dbraw/zinc/28/41/49/355284149.db2.gz MWQWOPIFMXBWED-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN CO[C@@]1(CN2CC(CCO)C2)CCOC1 ZINC000639251795 355285553 /nfs/dbraw/zinc/28/55/53/355285553.db2.gz WQZLTAOGUMPQHP-LLVKDONJSA-N 0 3 215.293 0.106 20 0 BCADHN CC[C@H](O)CCCNC(=O)[C@@H]1CCCCN1 ZINC000398498826 355367597 /nfs/dbraw/zinc/36/75/97/355367597.db2.gz WPPRWYSZBYSFQK-QWRGUYRKSA-N 0 3 228.336 0.796 20 0 BCADHN C[C@@H](N)C(=O)N1Cc2ccccc2N(C)C(=O)C1 ZINC000623236089 355368669 /nfs/dbraw/zinc/36/86/69/355368669.db2.gz ONPGTLMBOBHKPX-SECBINFHSA-N 0 3 247.298 0.339 20 0 BCADHN CC1(C(N)=O)CN(CCC[C@H]2CCO2)C1 ZINC000639281250 355370971 /nfs/dbraw/zinc/37/09/71/355370971.db2.gz HUGHTNRHLJROKK-VIFPVBQESA-N 0 3 212.293 0.363 20 0 BCADHN CN(Cc1nc[nH]n1)C(=O)[C@H]1CCCCN1C ZINC000608375101 355387424 /nfs/dbraw/zinc/38/74/24/355387424.db2.gz STTJJECFUGATNG-SECBINFHSA-N 0 3 237.307 0.247 20 0 BCADHN CN(Cc1nnc[n-]1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000608375101 355387427 /nfs/dbraw/zinc/38/74/27/355387427.db2.gz STTJJECFUGATNG-SECBINFHSA-N 0 3 237.307 0.247 20 0 BCADHN CN(Cc1nnc[n-]1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000608375101 355387431 /nfs/dbraw/zinc/38/74/31/355387431.db2.gz STTJJECFUGATNG-SECBINFHSA-N 0 3 237.307 0.247 20 0 BCADHN CN(Cc1nnc[nH]1)C(=O)[C@H]1CCCCN1C ZINC000608375101 355387434 /nfs/dbraw/zinc/38/74/34/355387434.db2.gz STTJJECFUGATNG-SECBINFHSA-N 0 3 237.307 0.247 20 0 BCADHN CC[C@H](O)CNCc1ccc(C)n(C)c1=O ZINC000584346422 355387609 /nfs/dbraw/zinc/38/76/09/355387609.db2.gz IDALOIZYVUWNTR-NSHDSACASA-N 0 3 224.304 0.554 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cnn(C)c2)CCN1C ZINC000335740585 355390128 /nfs/dbraw/zinc/39/01/28/355390128.db2.gz LJWWKXWODCPZGY-MWLCHTKSSA-N 0 3 236.319 0.633 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cnn(C)c2)CCN1C ZINC000335740586 355390150 /nfs/dbraw/zinc/39/01/50/355390150.db2.gz LJWWKXWODCPZGY-ONGXEEELSA-N 0 3 236.319 0.633 20 0 BCADHN CC(C)C[C@@H]1C[C@H]1NCc1cnc(N)nc1N ZINC000639277870 355355088 /nfs/dbraw/zinc/35/50/88/355355088.db2.gz QFSHCOFHLGDLFL-PSASIEDQSA-N 0 3 235.335 0.826 20 0 BCADHN C[C@H]1CCCN(c2nc(N)nc(N)n2)CC1 ZINC000623902821 355357054 /nfs/dbraw/zinc/35/70/54/355357054.db2.gz QQKFIMRUSRWDFT-ZETCQYMHSA-N 0 3 222.296 0.323 20 0 BCADHN CN(C)C(=O)CCN1CCOC2(CCC2)C1 ZINC000335775873 355400311 /nfs/dbraw/zinc/40/03/11/355400311.db2.gz CPYKNMKBOPJADZ-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN CC(C)[C@H](C(=O)N(C)Cc1cc[nH]n1)N(C)C ZINC000349703751 355415015 /nfs/dbraw/zinc/41/50/15/355415015.db2.gz QRJVJGOEWMTDKG-LLVKDONJSA-N 0 3 238.335 0.954 20 0 BCADHN CNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000335793932 355448874 /nfs/dbraw/zinc/44/88/74/355448874.db2.gz IMISUAGQACKHIY-UHFFFAOYSA-N 0 3 228.317 0.656 20 0 BCADHN CC[C@@H]1[C@H](CO)CCN1CC(=O)NC1CC1 ZINC000385629926 355437555 /nfs/dbraw/zinc/43/75/55/355437555.db2.gz BCPHQAOYHYCVHM-GXSJLCMTSA-N 0 3 226.320 0.358 20 0 BCADHN CC(C)N(C)C[C@H](C)NS(=O)(=O)C1CC1 ZINC000349779880 355460673 /nfs/dbraw/zinc/46/06/73/355460673.db2.gz ANTXJKGHUIKLTJ-VIFPVBQESA-N 0 3 234.365 0.797 20 0 BCADHN COCCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000349788064 355462944 /nfs/dbraw/zinc/46/29/44/355462944.db2.gz VZRXPSGLEHMEJR-LLVKDONJSA-N 0 3 241.335 0.511 20 0 BCADHN Cc1cnn(C)c1CN1C[C@H](O)C[C@@H]1C ZINC000335806921 355479368 /nfs/dbraw/zinc/47/93/68/355479368.db2.gz WVVOXOVVJQSHIX-VHSXEESVSA-N 0 3 209.293 0.684 20 0 BCADHN C[C@H]1CN(CC(=O)N2CCOCC2)C[C@@H]1C ZINC000335809202 355483585 /nfs/dbraw/zinc/48/35/85/355483585.db2.gz NNKHHKIWWDORTB-QWRGUYRKSA-N 0 3 226.320 0.433 20 0 BCADHN C[C@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC000335809201 355483731 /nfs/dbraw/zinc/48/37/31/355483731.db2.gz NNKHHKIWWDORTB-PHIMTYICSA-N 0 3 226.320 0.433 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N(C)CCCCO ZINC000349948501 355534807 /nfs/dbraw/zinc/53/48/07/355534807.db2.gz WIPZNYGQOGAMOQ-LLVKDONJSA-N 0 3 230.352 0.946 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1Cc1ccc(=O)[nH]c1 ZINC000639293086 355536250 /nfs/dbraw/zinc/53/62/50/355536250.db2.gz DKPMSPRJXDTCQE-WDEREUQCSA-N 0 3 238.287 0.369 20 0 BCADHN CCC[C@H](NC(C)C)C(=O)N(C)CC(=O)NC ZINC000349988173 355547298 /nfs/dbraw/zinc/54/72/98/355547298.db2.gz MUFGHHWHNWGHIX-JTQLQIEISA-N 0 3 243.351 0.358 20 0 BCADHN CC(C)OCC[C@@H](O)CN1C[C@@H](O)C2(CC2)C1 ZINC000349873186 355513477 /nfs/dbraw/zinc/51/34/77/355513477.db2.gz DEWADEVFRVFWQM-VXGBXAGGSA-N 0 3 243.347 0.619 20 0 BCADHN CC(C)[C@H](O)C(=O)NCCN1CCCC[C@H]1C ZINC000349896629 355521003 /nfs/dbraw/zinc/52/10/03/355521003.db2.gz QAIQYAABKQCEQM-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CCC[C@H](CN1CC(N2CC[C@@H](O)C2)C1)OC ZINC000639296011 355591382 /nfs/dbraw/zinc/59/13/82/355591382.db2.gz TYMATEIPSIMKRG-CHWSQXEVSA-N 0 3 242.363 0.552 20 0 BCADHN N=C(NO)[C@@H]1CCCCN1Cc1ccno1 ZINC000368524327 181200287 /nfs/dbraw/zinc/20/02/87/181200287.db2.gz JZGVVUZJAVPEIN-VIFPVBQESA-N 0 3 224.264 0.985 20 0 BCADHN N=C(NO)[C@@H]1CCCCN1CCCCCO ZINC000376078123 181200598 /nfs/dbraw/zinc/20/05/98/181200598.db2.gz CRQUHTZDZLYHPY-JTQLQIEISA-N 0 3 229.324 0.960 20 0 BCADHN Cc1c[nH]cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000335835866 355562971 /nfs/dbraw/zinc/56/29/71/355562971.db2.gz FXXBRWAHBXXRDQ-GFCCVEGCSA-N 0 3 237.303 0.120 20 0 BCADHN [O-]c1cccnc1C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000584347280 355580134 /nfs/dbraw/zinc/58/01/34/355580134.db2.gz WVCDGBUZAKXZGF-SECBINFHSA-N 0 3 245.286 0.895 20 0 BCADHN [O-]c1cccnc1C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000584347280 355580139 /nfs/dbraw/zinc/58/01/39/355580139.db2.gz WVCDGBUZAKXZGF-SECBINFHSA-N 0 3 245.286 0.895 20 0 BCADHN CCO[C@@H]1C[C@@H](NC/C=C/CO)[C@]12CCCO2 ZINC000639307613 355662243 /nfs/dbraw/zinc/66/22/43/355662243.db2.gz CZPASISRLYSPHY-ZUEAMBOYSA-N 0 3 241.331 0.851 20 0 BCADHN CC[C@H](C)CCNCc1cnc(N)nc1N ZINC000639308735 355664374 /nfs/dbraw/zinc/66/43/74/355664374.db2.gz OBCSWJIYEGWPQN-QMMMGPOBSA-N 0 3 223.324 0.828 20 0 BCADHN COCCNCCNC(=O)NCc1ccco1 ZINC000416442420 191746808 /nfs/dbraw/zinc/74/68/08/191746808.db2.gz XQXYUWLUOVZTMN-UHFFFAOYSA-N 0 3 241.291 0.315 20 0 BCADHN CC[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1OC)C1CC1 ZINC000639310136 355666119 /nfs/dbraw/zinc/66/61/19/355666119.db2.gz OFLCNTUVDXUOPB-DCAQKATOSA-N 0 3 247.360 0.577 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)C(C)S(C)(=O)=O)C1 ZINC000350313980 355669057 /nfs/dbraw/zinc/66/90/57/355669057.db2.gz AENVTWUFNUUCGL-HRDYMLBCSA-N 0 3 249.332 0.103 20 0 BCADHN COCC1=CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000335862680 355626173 /nfs/dbraw/zinc/62/61/73/355626173.db2.gz PMTBNMOWMNYPTO-LBPRGKRZSA-N 0 3 238.331 0.886 20 0 BCADHN CN(C(=O)Cc1ccon1)[C@H]1CN2CCC1CC2 ZINC000335866371 355630912 /nfs/dbraw/zinc/63/09/12/355630912.db2.gz YAMZGWFSEOHYAO-LBPRGKRZSA-N 0 3 249.314 0.770 20 0 BCADHN NC(=O)CCNCc1ccc(N2CCCC2)nc1 ZINC000583582596 355691174 /nfs/dbraw/zinc/69/11/74/355691174.db2.gz TVGAAFQBIBGDIY-UHFFFAOYSA-N 0 3 248.330 0.647 20 0 BCADHN C[C@H]1CCN(CC(=O)NCCc2cnccn2)C1 ZINC000582190063 355699196 /nfs/dbraw/zinc/69/91/96/355699196.db2.gz JNZRUXYRKXLLQA-NSHDSACASA-N 0 3 248.330 0.477 20 0 BCADHN CC[C@H](C(N)=O)N1CCC2(CCO2)CC1 ZINC000367106089 355702391 /nfs/dbraw/zinc/70/23/91/355702391.db2.gz HUMWDVZWWIBEKA-SECBINFHSA-N 0 3 212.293 0.505 20 0 BCADHN C[C@@H](Cc1cnn(C)c1)NCc1ccnn1C ZINC000350510020 355714380 /nfs/dbraw/zinc/71/43/80/355714380.db2.gz BFICCDVMILABOX-JTQLQIEISA-N 0 3 233.319 0.874 20 0 BCADHN NC(=O)[C@]1(O)CCCN(CCOCC2CC2)C1 ZINC000331957367 181205640 /nfs/dbraw/zinc/20/56/40/181205640.db2.gz 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0.411 20 0 BCADHN CC[C@@](C)(CN1CCN(C)C[C@H]1CO)OC ZINC000639334766 355764945 /nfs/dbraw/zinc/76/49/45/355764945.db2.gz VYWSWLPZDVSBRC-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN CC[C@H](C)[C@@H](CN1CCN(C)C[C@@H]1CO)OC ZINC000639334569 355765318 /nfs/dbraw/zinc/76/53/18/355765318.db2.gz SQDRUNIKROFMDA-YNEHKIRRSA-N 0 3 244.379 0.656 20 0 BCADHN Nc1ncc(CN[C@H]2[C@@H]3CCC[C@@H]32)c(N)n1 ZINC000639325194 355726557 /nfs/dbraw/zinc/72/65/57/355726557.db2.gz PTRWITGCHKRHBQ-BRPSZJMVSA-N 0 3 219.292 0.190 20 0 BCADHN CC[C@@H](C)CN1CCN(C)C[C@H]1CO ZINC000639337806 355777107 /nfs/dbraw/zinc/77/71/07/355777107.db2.gz VBXGYWONZHDSNZ-MNOVXSKESA-N 0 3 200.326 0.641 20 0 BCADHN CCOC(=O)C[C@H](O)CN1C[C@@H](O)CC[C@H]1C ZINC000399162592 355778165 /nfs/dbraw/zinc/77/81/65/355778165.db2.gz AHVRUGVIOFJUFW-VWYCJHECSA-N 0 3 245.319 0.146 20 0 BCADHN CCC[C@@H](CN(C)[C@@]1(CO)CCOC1)OC ZINC000639341306 355782983 /nfs/dbraw/zinc/78/29/83/355782983.db2.gz LUDQUOVFSIHHIG-NWDGAFQWSA-N 0 3 231.336 0.885 20 0 BCADHN 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COC(=O)C(C)(C)CN[C@@H]1CCCN(C)C1=O ZINC000538707204 324729231 /nfs/dbraw/zinc/72/92/31/324729231.db2.gz ZNNABMZGBZUVKL-SECBINFHSA-N 0 3 242.319 0.396 20 0 BCADHN Cc1nnsc1CNC[C@H]1C[C@@H](O)C1 ZINC000639353406 355802758 /nfs/dbraw/zinc/80/27/58/355802758.db2.gz RYFKJHFXUGNHAD-OCAPTIKFSA-N 0 3 213.306 0.707 20 0 BCADHN O[C@@H]1CCN(CCNCc2ccns2)C1 ZINC000639353816 355803202 /nfs/dbraw/zinc/80/32/02/355803202.db2.gz BCPHSQXDFYEBDN-SECBINFHSA-N 0 3 227.333 0.299 20 0 BCADHN CC(C)C1(CN2CCO[C@@H](CC(N)=O)C2)CC1 ZINC000639353942 355803241 /nfs/dbraw/zinc/80/32/41/355803241.db2.gz BZUIJJISQRLMRF-NSHDSACASA-N 0 3 240.347 0.999 20 0 BCADHN C[C@@H]1[C@@H](Nc2ccnc(C(N)=O)c2)CCCN1C ZINC000350828879 355804031 /nfs/dbraw/zinc/80/40/31/355804031.db2.gz XQGYGVXEAFMNBS-KOLCDFICSA-N 0 3 248.330 0.497 20 0 BCADHN C[C@@H]1[C@H](Nc2ccnc(C(N)=O)c2)CCCN1C ZINC000350828880 355804043 /nfs/dbraw/zinc/80/40/43/355804043.db2.gz XQGYGVXEAFMNBS-MWLCHTKSSA-N 0 3 248.330 0.497 20 0 BCADHN CN(C)C(=O)CN1CCN(CC2CCC2)CC1 ZINC000608492010 355814848 /nfs/dbraw/zinc/81/48/48/355814848.db2.gz VQSDULFHUKUZBV-UHFFFAOYSA-N 0 3 239.363 0.492 20 0 BCADHN C[C@]12CN(Cc3ccco3)C[C@@]1(C)C(=O)NC2=O ZINC000639362000 355817490 /nfs/dbraw/zinc/81/74/90/355817490.db2.gz BSMKDHPQDQABLB-BETUJISGSA-N 0 3 248.282 0.764 20 0 BCADHN OC[C@H]1C[C@@H](NCc2cn3cccnc3n2)C1 ZINC000639362878 355818324 /nfs/dbraw/zinc/81/83/24/355818324.db2.gz LLCMGUAFNSPZJT-AOOOYVTPSA-N 0 3 232.287 0.590 20 0 BCADHN C[C@H]1C[C@H](N[C@@H]2COC[C@@H]2O)CS1 ZINC000639363443 355820458 /nfs/dbraw/zinc/82/04/58/355820458.db2.gz PYRUQIAQSGVJRG-MAUMQABQSA-N 0 3 203.307 0.230 20 0 BCADHN CC[C@@H](C)[C@@H](CN[C@@H]1COC[C@@H]1O)OC ZINC000639363353 355821427 /nfs/dbraw/zinc/82/14/27/355821427.db2.gz OQZMBPCXZBXJTB-CHWFTXMASA-N 0 3 217.309 0.397 20 0 BCADHN N[C@H](C(=O)NCCn1cccn1)C1CCC1 ZINC000399015247 355821499 /nfs/dbraw/zinc/82/14/99/355821499.db2.gz FRAKNUJGWUJYKT-JTQLQIEISA-N 0 3 222.292 0.127 20 0 BCADHN COc1ccc(CNCCC[S@](C)=O)cn1 ZINC000166814231 355851256 /nfs/dbraw/zinc/85/12/56/355851256.db2.gz OAOLZMMRDIKIQV-MRXNPFEDSA-N 0 3 242.344 0.948 20 0 BCADHN NC(=O)C1(NCCCO[C@@H]2CCCCO2)CC1 ZINC000338288619 181214674 /nfs/dbraw/zinc/21/46/74/181214674.db2.gz LWBVEVGQSWYYNT-SNVBAGLBSA-N 0 3 242.319 0.527 20 0 BCADHN C[C@H]1CCCN(CCS(=O)(=O)N(C)C)CC1 ZINC000336032496 134058751 /nfs/dbraw/zinc/05/87/51/134058751.db2.gz DCQNMTLYOQYXAP-NSHDSACASA-N 0 3 248.392 1.000 20 0 BCADHN C[C@@H](C[C@@H]1CCCC(=O)N1)NCc1ncc[nH]1 ZINC000639371926 355872461 /nfs/dbraw/zinc/87/24/61/355872461.db2.gz NHMLJELZTVPZBQ-UWVGGRQHSA-N 0 3 236.319 0.947 20 0 BCADHN CS(=O)(=O)NCCN1C2CCCC1CCC2 ZINC000608499200 355828152 /nfs/dbraw/zinc/82/81/52/355828152.db2.gz DBGUIFWIUWLNHN-UHFFFAOYSA-N 0 3 246.376 0.943 20 0 BCADHN NC(=O)CC1CCN(CCCF)CC1 ZINC000121426770 181218727 /nfs/dbraw/zinc/21/87/27/181218727.db2.gz AKXKAHKOMQWYJF-UHFFFAOYSA-N 0 3 202.273 0.933 20 0 BCADHN Nc1ncc(CN[C@]23C[C@H]2CCCC3)c(N)n1 ZINC000639379239 355914737 /nfs/dbraw/zinc/91/47/37/355914737.db2.gz GCOOWPZQVNHFLT-BXKDBHETSA-N 0 3 233.319 0.724 20 0 BCADHN COC1(C)CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000583639668 355940980 /nfs/dbraw/zinc/94/09/80/355940980.db2.gz OAPGVQRNGFHWRW-SNVBAGLBSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2ccn(C)n2)C1 ZINC000608613957 355883365 /nfs/dbraw/zinc/88/33/65/355883365.db2.gz JZCYFHWDAKHIGF-SNVBAGLBSA-N 0 3 236.319 0.492 20 0 BCADHN NC(=O)C1CCN(Cc2ccc(CO)cc2)CC1 ZINC000163411432 181217618 /nfs/dbraw/zinc/21/76/18/181217618.db2.gz OEEVXFHADRMTRZ-UHFFFAOYSA-N 0 3 248.326 0.876 20 0 BCADHN NC(=O)CC1CCN(C[C@@H]2CCCO2)CC1 ZINC000119342655 181220201 /nfs/dbraw/zinc/22/02/01/181220201.db2.gz UQLBARXXRPPSNT-NSHDSACASA-N 0 3 226.320 0.753 20 0 BCADHN CNC(=O)C[C@@H](C)NCc1c(C)n[nH]c1C ZINC000167221508 355978737 /nfs/dbraw/zinc/97/87/37/355978737.db2.gz LOLZSSRVDNLSRA-SSDOTTSWSA-N 0 3 224.308 0.641 20 0 BCADHN C[C@H]1C[C@H]1CN(C)CC(=O)N1CCOCC1 ZINC000351329982 355980543 /nfs/dbraw/zinc/98/05/43/355980543.db2.gz PMLOUERZSDIYSC-QWRGUYRKSA-N 0 3 226.320 0.433 20 0 BCADHN COC[C@H](C)CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000167432393 355993583 /nfs/dbraw/zinc/99/35/83/355993583.db2.gz CKRARUOAFPNXEK-MXWKQRLJSA-N 0 3 228.336 0.773 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000367122481 355994997 /nfs/dbraw/zinc/99/49/97/355994997.db2.gz BIGSNSBAJURLRS-JXSWWZISSA-N 0 3 238.331 0.788 20 0 BCADHN C[C@H]1CN(CC(=O)N2CCNC2=O)C(C)(C)C1 ZINC000336057428 134066673 /nfs/dbraw/zinc/06/66/73/134066673.db2.gz ZZYAMCDNOPVDMU-SECBINFHSA-N 0 3 239.319 0.659 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000367118005 355956637 /nfs/dbraw/zinc/95/66/37/355956637.db2.gz WMMUQGPNPOVRON-MNOVXSKESA-N 0 3 241.335 0.415 20 0 BCADHN CN(C)CCNC(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000367118007 355957124 /nfs/dbraw/zinc/95/71/24/355957124.db2.gz WMMUQGPNPOVRON-WDEREUQCSA-N 0 3 241.335 0.415 20 0 BCADHN C[C@@H](N[C@@H](C)C(=O)N1CCCCC1)[C@H](C)CO ZINC000167113878 355959006 /nfs/dbraw/zinc/95/90/06/355959006.db2.gz CNDDRKZBCGDKIA-UTUOFQBUSA-N 0 3 242.363 0.994 20 0 BCADHN NC(=O)CN[C@H](CCO)C1CCCCC1 ZINC000181505838 181236759 /nfs/dbraw/zinc/23/67/59/181236759.db2.gz RXLSZJYHVWOPFT-SNVBAGLBSA-N 0 3 214.309 0.393 20 0 BCADHN NC(=O)CN[C@@H]1CCCC[C@@H]1OC(F)F ZINC000337377131 181236847 /nfs/dbraw/zinc/23/68/47/181236847.db2.gz BSKVXLUXEPVUHF-RQJHMYQMSA-N 0 3 222.235 0.612 20 0 BCADHN NCc1noc([C@H]2CNCc3ccccc32)n1 ZINC000584350399 356064371 /nfs/dbraw/zinc/06/43/71/356064371.db2.gz HWQPCHSUXDLIDC-JTQLQIEISA-N 0 3 230.271 0.763 20 0 BCADHN C[C@H](CC1CCC1)NCc1cnc(N)nc1N ZINC000639389724 356020184 /nfs/dbraw/zinc/02/01/84/356020184.db2.gz NJZUGHIHBGEHJU-MRVPVSSYSA-N 0 3 235.335 0.970 20 0 BCADHN O[C@H]1CCC[C@@H]1NCc1cn2cccnc2n1 ZINC000639390164 356020818 /nfs/dbraw/zinc/02/08/18/356020818.db2.gz UWYLREHRPIQKRC-QWRGUYRKSA-N 0 3 232.287 0.732 20 0 BCADHN CCOC(=O)CCN1CC[C@H](C(=O)OC)C1 ZINC000351594890 356025181 /nfs/dbraw/zinc/02/51/81/356025181.db2.gz FDDAMVINCUTMMB-VIFPVBQESA-N 0 3 229.276 0.435 20 0 BCADHN CN(CCc1ccncc1)[C@]1(CO)CCOC1 ZINC000351611079 356027770 /nfs/dbraw/zinc/02/77/70/356027770.db2.gz PXWDWQWGZIDSSO-ZDUSSCGKSA-N 0 3 236.315 0.707 20 0 BCADHN COc1nccc(CN[C@@H]2CCN(C3CC3)C2)n1 ZINC000395252429 356106503 /nfs/dbraw/zinc/10/65/03/356106503.db2.gz ZBPOILQONBLIJP-LLVKDONJSA-N 0 3 248.330 0.812 20 0 BCADHN CCN(C(=O)C[C@H]1CCOC1)[C@@H]1CCN(C)C1 ZINC000617551119 356107185 /nfs/dbraw/zinc/10/71/85/356107185.db2.gz LQSAEUMHKGQLLG-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(C(=O)[C@H](O)C(C)C)[C@@H]1CCN(C)C1 ZINC000617551230 356107265 /nfs/dbraw/zinc/10/72/65/356107265.db2.gz NSCGCKYHSODLBO-GHMZBOCLSA-N 0 3 228.336 0.556 20 0 BCADHN CN(Cc1ccnn1C)[C@@H]1CN2CCC1CC2 ZINC000639399925 356128079 /nfs/dbraw/zinc/12/80/79/356128079.db2.gz VZLLHCYCGNOZFN-CYBMUJFWSA-N 0 3 234.347 0.946 20 0 BCADHN CCN(C(=O)[C@@H](OC)C1CC1)[C@@H]1CCN(C)C1 ZINC000617551695 356108322 /nfs/dbraw/zinc/10/83/22/356108322.db2.gz XEPGKDCPFRNLHD-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(C(=O)[C@@H](OC)C1CC1)[C@H]1CCN(C)C1 ZINC000617551697 356108566 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C[C@@H](C(N)=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000639746365 356639393 /nfs/dbraw/zinc/63/93/93/356639393.db2.gz FASYPOIWIOOSSF-UWVGGRQHSA-N 0 3 227.352 0.522 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)C[C@@H]1CCCCO1 ZINC000450282044 202119050 /nfs/dbraw/zinc/11/90/50/202119050.db2.gz FOZGBSDYCMUCPK-NWDGAFQWSA-N 0 3 229.320 0.827 20 0 BCADHN CCN(CCOC)C[C@@](C)(O)C(C)=O ZINC000450286641 202120014 /nfs/dbraw/zinc/12/00/14/202120014.db2.gz PLMYALBMSIWACP-SNVBAGLBSA-N 0 3 203.282 0.295 20 0 BCADHN CCN(C[C@H]1CCCO1)C[C@@](C)(O)C(C)=O ZINC000450323612 202127543 /nfs/dbraw/zinc/12/75/43/202127543.db2.gz JEGIILFDVQAIQP-VXGBXAGGSA-N 0 3 229.320 0.827 20 0 BCADHN CCN(C[C@@H]1CCCO1)C[C@@](C)(O)C(C)=O ZINC000450323610 202128144 /nfs/dbraw/zinc/12/81/44/202128144.db2.gz JEGIILFDVQAIQP-NWDGAFQWSA-N 0 3 229.320 0.827 20 0 BCADHN O[C@@H]1CCN(CCNCc2ccccn2)C1 ZINC000623756953 356661927 /nfs/dbraw/zinc/66/19/27/356661927.db2.gz KSYXUPAQXHPVMP-GFCCVEGCSA-N 0 3 221.304 0.238 20 0 BCADHN CC(C)C(=O)N[C@H]1CCCN(CC[C@@H](C)O)C1 ZINC000450329924 202130172 /nfs/dbraw/zinc/13/01/72/202130172.db2.gz HIZBRZAGYRWQCT-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CCC[C@H](O)CN1CCCC[C@H]1C(=O)NC ZINC000450337689 202131252 /nfs/dbraw/zinc/13/12/52/202131252.db2.gz GZIFJNKKXXUONA-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN O=C1CCCN1[C@@H]1CCCN(CCCCO)C1 ZINC000304061554 356669135 /nfs/dbraw/zinc/66/91/35/356669135.db2.gz PPUMKRLMMZJQBU-GFCCVEGCSA-N 0 3 240.347 0.846 20 0 BCADHN COC[C@H](CCO)N[C@H](C)c1cnn(C)c1 ZINC000168047509 134155655 /nfs/dbraw/zinc/15/56/55/134155655.db2.gz YLAHRDUDBCYCOC-KOLCDFICSA-N 0 3 227.308 0.468 20 0 BCADHN N[C@H](C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12)C1CCC1 ZINC000582240262 356671049 /nfs/dbraw/zinc/67/10/49/356671049.db2.gz ZSBUCYWGETTZEG-QCNOEVLYSA-N 0 3 238.331 0.798 20 0 BCADHN Cn1nncc1CN[C@H]1C[C@@H](O)C1(C)C ZINC000168170104 134156070 /nfs/dbraw/zinc/15/60/70/134156070.db2.gz WYCMGSKICSJEDC-DTWKUNHWSA-N 0 3 210.281 0.064 20 0 BCADHN CC1(C)[C@@H](O)C[C@@H]1NCC(=O)Nc1ccncc1 ZINC000578140181 366320530 /nfs/dbraw/zinc/32/05/30/366320530.db2.gz BGFGUKFXGGEFJF-QWRGUYRKSA-N 0 3 249.314 0.191 20 0 BCADHN NC1(C(=O)Nc2nc3cccnc3[nH]2)CCC1 ZINC000582239754 356668843 /nfs/dbraw/zinc/66/88/43/356668843.db2.gz WSTZKRSQDQJCMI-UHFFFAOYSA-N 0 3 231.259 0.778 20 0 BCADHN CCC[C@@H](O)CN1CCN(CCOC)[C@@H](C)C1 ZINC000450365663 202145055 /nfs/dbraw/zinc/14/50/55/202145055.db2.gz RCOUWEMXMHDVNM-QWHCGFSZSA-N 0 3 244.379 0.800 20 0 BCADHN CCN(CC)CC(=O)N1CCO[C@H](C)C1 ZINC000054115988 363561564 /nfs/dbraw/zinc/56/15/64/363561564.db2.gz ODPKRFDGDVWMBM-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCN2CCC[C@@H]2C1 ZINC000450377328 202147165 /nfs/dbraw/zinc/14/71/65/202147165.db2.gz IYHXUPKHRSQTCW-NEPJUHHUSA-N 0 3 226.320 0.106 20 0 BCADHN NC(=O)c1cc(CNC[C@@H]2CCSC2)on1 ZINC000309511194 181288375 /nfs/dbraw/zinc/28/83/75/181288375.db2.gz PJDBLOUVRFOFMX-ZETCQYMHSA-N 0 3 241.316 0.616 20 0 BCADHN C/C=C/CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000623635451 366336944 /nfs/dbraw/zinc/33/69/44/366336944.db2.gz IIJUCNYOBJEENN-UFFNRZRYSA-N 0 3 241.335 0.582 20 0 BCADHN CC(=O)CN[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000639766973 356697242 /nfs/dbraw/zinc/69/72/42/356697242.db2.gz SGNKCEGQXXDRMB-NEPJUHHUSA-N 0 3 241.331 0.875 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)NCCOC ZINC000111786866 356698521 /nfs/dbraw/zinc/69/85/21/356698521.db2.gz CIYQUZBPAKGAHF-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN CCc1cc(N[C@@H](CO)c2cnn(C)c2)ccn1 ZINC000450401054 202153068 /nfs/dbraw/zinc/15/30/68/202153068.db2.gz ICRXFIRVYRFMKT-ZDUSSCGKSA-N 0 3 246.314 0.945 20 0 BCADHN CCOCCN(CC)C[C@](C)(O)C(C)=O ZINC000450397819 202153777 /nfs/dbraw/zinc/15/37/77/202153777.db2.gz YLYYELZFOBRFCZ-NSHDSACASA-N 0 3 217.309 0.685 20 0 BCADHN CCN1CCC(NC(=O)NCC[C@H](C)O)CC1 ZINC000114819709 356703628 /nfs/dbraw/zinc/70/36/28/356703628.db2.gz DVNDFNYVFWHNFT-JTQLQIEISA-N 0 3 243.351 0.541 20 0 BCADHN O[C@@H]1CC[C@@H]2CN(Cc3cncnc3)C[C@H]12 ZINC000346343118 538525190 /nfs/dbraw/zinc/52/51/90/538525190.db2.gz VUAYREPDUBDEMK-GRYCIOLGSA-N 0 3 219.288 0.679 20 0 BCADHN CCOC(=O)/C=C/CN1CCN(CC)CC1 ZINC000087638657 538568029 /nfs/dbraw/zinc/56/80/29/538568029.db2.gz DMWRMPXWUPGZEE-AATRIKPKSA-N 0 3 226.320 0.743 20 0 BCADHN Cc1ccc(CN2[C@@H](CO)CC[C@@H]2CO)cn1 ZINC000639780709 356730691 /nfs/dbraw/zinc/73/06/91/356730691.db2.gz SDLPQZWEBQNABV-CHWSQXEVSA-N 0 3 236.315 0.708 20 0 BCADHN COC[C@@H](NCC(C)=O)C1CCOCC1 ZINC000639784161 356734307 /nfs/dbraw/zinc/73/43/07/356734307.db2.gz JRKXAHFBVUXHAM-LLVKDONJSA-N 0 3 215.293 0.607 20 0 BCADHN CCN1CCC(NC(=O)N[C@H](C)COC)CC1 ZINC000354670950 356742997 /nfs/dbraw/zinc/74/29/97/356742997.db2.gz XFQHBPAFDFUUEL-SNVBAGLBSA-N 0 3 243.351 0.805 20 0 BCADHN CC(C)CN(CCC[C@H](C)O)CC(N)=O ZINC000354858344 356745251 /nfs/dbraw/zinc/74/52/51/356745251.db2.gz BISYDHCJVISNMB-JTQLQIEISA-N 0 3 216.325 0.591 20 0 BCADHN CCc1nc(CN2CCN(C)C[C@@H]2C)n[nH]1 ZINC000354862109 356745470 /nfs/dbraw/zinc/74/54/70/356745470.db2.gz WTTHUTIVOQERFN-VIFPVBQESA-N 0 3 223.324 0.503 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NCCC1(C)CC1 ZINC000578191141 366376624 /nfs/dbraw/zinc/37/66/24/366376624.db2.gz UEZXQRKGBGXCAY-VIFPVBQESA-N 0 3 242.319 0.573 20 0 BCADHN C[C@H](CNC(=O)C1(N)CC1)c1ccncc1 ZINC000649344993 538656194 /nfs/dbraw/zinc/65/61/94/538656194.db2.gz BWHGRSHRXUYWCZ-SECBINFHSA-N 0 3 219.288 0.793 20 0 BCADHN C[C@@H]1CN(CCc2cnccn2)C[C@@H](C)C1O ZINC000639815416 356794829 /nfs/dbraw/zinc/79/48/29/356794829.db2.gz XWRIYFDCXGTUCE-GHMZBOCLSA-N 0 3 235.331 0.968 20 0 BCADHN C[C@H](O)C[C@@H]1CCCCN1CC(N)=O ZINC000163088689 202177546 /nfs/dbraw/zinc/17/75/46/202177546.db2.gz ZNAUUXZDAYYLHQ-IUCAKERBSA-N 0 3 200.282 0.097 20 0 BCADHN O[C@@H]1CCN(CCNCC2(F)CC2)C1 ZINC000623758792 356817080 /nfs/dbraw/zinc/81/70/80/356817080.db2.gz OTNVARPRLWKCFD-SECBINFHSA-N 0 3 202.273 0.145 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CCCN2C)CCO1 ZINC000639840569 356835513 /nfs/dbraw/zinc/83/55/13/356835513.db2.gz YFKNTTHYOBCQDZ-MNOVXSKESA-N 0 3 214.309 0.385 20 0 BCADHN CC[C@@H](O)CCNC(=O)N[C@@H](C)CN(C)C ZINC000358501035 356870631 /nfs/dbraw/zinc/87/06/31/356870631.db2.gz NFEXXCTZIULIQY-VHSXEESVSA-N 0 3 231.340 0.397 20 0 BCADHN CC(=O)CN1CCC(N2CC[C@@H](O)C2)CC1 ZINC000639863513 356872756 /nfs/dbraw/zinc/87/27/56/356872756.db2.gz LTSOMROYEPWAMZ-GFCCVEGCSA-N 0 3 226.320 0.106 20 0 BCADHN C[C@H]1[C@H](NC(=O)CC2(O)CCC2)CCCN1C ZINC000450546814 202193438 /nfs/dbraw/zinc/19/34/38/202193438.db2.gz LBTURPWBVVVELU-WDEREUQCSA-N 0 3 240.347 0.890 20 0 BCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccnnc1 ZINC000155290552 538706640 /nfs/dbraw/zinc/70/66/40/538706640.db2.gz SLSBCVOCZNWUSD-GFCCVEGCSA-N 0 3 246.314 0.691 20 0 BCADHN COCCN(C)CCOC[C@@H]1CCCO1 ZINC000152180266 356844079 /nfs/dbraw/zinc/84/40/79/356844079.db2.gz JIDWPKKNRQRATM-NSHDSACASA-N 0 3 217.309 0.760 20 0 BCADHN Cc1ncsc1CN1C[C@@H](O)C[C@]1(C)CO ZINC000639847901 356845424 /nfs/dbraw/zinc/84/54/24/356845424.db2.gz DFOZYGNIMSIVTP-GXSJLCMTSA-N 0 3 242.344 0.769 20 0 BCADHN C[C@@]1(CO)C[C@@H](O)CN1CCc1ccncc1 ZINC000639850124 356850300 /nfs/dbraw/zinc/85/03/00/356850300.db2.gz SUTJEATZKSFEMO-OLZOCXBDSA-N 0 3 236.315 0.442 20 0 BCADHN C[C@@]1(CO)C[C@H](O)CN1CCc1ccncc1 ZINC000639850126 356850778 /nfs/dbraw/zinc/85/07/78/356850778.db2.gz SUTJEATZKSFEMO-STQMWFEESA-N 0 3 236.315 0.442 20 0 BCADHN CCCCOCCN1C[C@H](O)C[C@]1(C)CO ZINC000639851693 356851973 /nfs/dbraw/zinc/85/19/73/356851973.db2.gz OVRGVPJKZOITGE-VXGBXAGGSA-N 0 3 231.336 0.621 20 0 BCADHN C[C@]1(CO)C[C@@H](O)CN1CCc1cccnc1 ZINC000639850336 356853318 /nfs/dbraw/zinc/85/33/18/356853318.db2.gz UVBYFYXQYYZBPL-CHWSQXEVSA-N 0 3 236.315 0.442 20 0 BCADHN C[C@@]1(CO)C[C@@H](O)CN1CCc1cccnc1 ZINC000639850337 356853341 /nfs/dbraw/zinc/85/33/41/356853341.db2.gz UVBYFYXQYYZBPL-OLZOCXBDSA-N 0 3 236.315 0.442 20 0 BCADHN Cc1nccn1CCN1C[C@@H](O)C[C@]1(C)CO ZINC000639851156 356855118 /nfs/dbraw/zinc/85/51/18/356855118.db2.gz ZHKPBZZROSHQGK-NWDGAFQWSA-N 0 3 239.319 0.009 20 0 BCADHN Cc1nn(C)cc1CN1C[C@@H](O)C[C@]1(C)CO ZINC000639851053 356855416 /nfs/dbraw/zinc/85/54/16/356855416.db2.gz YPIPTUYDQBWJPG-NWDGAFQWSA-N 0 3 239.319 0.046 20 0 BCADHN CC[C@@H](N[C@@H]1CCC(=O)NC1)c1cnn(C)c1 ZINC000358140756 356861142 /nfs/dbraw/zinc/86/11/42/356861142.db2.gz YAJJVXFIFCFOFT-GHMZBOCLSA-N 0 3 236.319 0.739 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000352799155 538727299 /nfs/dbraw/zinc/72/72/99/538727299.db2.gz FIOBODVYCMUHAD-GRYCIOLGSA-N 0 3 239.363 0.809 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC(N)=O ZINC000361061935 356915838 /nfs/dbraw/zinc/91/58/38/356915838.db2.gz VOENUZPOEHUGHO-UWVGGRQHSA-N 0 3 241.335 0.241 20 0 BCADHN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](N)CC)C1 ZINC000089069481 356916926 /nfs/dbraw/zinc/91/69/26/356916926.db2.gz BOBXGEDDHBDAIB-VHSXEESVSA-N 0 3 242.319 0.525 20 0 BCADHN CC(C)CC[C@H](O)CN(C)[C@@]1(CO)CCOC1 ZINC000361312259 356925840 /nfs/dbraw/zinc/92/58/40/356925840.db2.gz RFGVFBCLFUHSPT-QWHCGFSZSA-N 0 3 245.363 0.867 20 0 BCADHN CC[C@@H](OC)C(=O)N(C)CCN(C)C ZINC000359601519 356891815 /nfs/dbraw/zinc/89/18/15/356891815.db2.gz VTIJFCCFYQCHRF-SECBINFHSA-N 0 3 202.298 0.431 20 0 BCADHN COC(=O)C1(CN[C@@H](C(N)=O)C(C)(C)C)CC1 ZINC000450561726 202195711 /nfs/dbraw/zinc/19/57/11/202195711.db2.gz RVIKZAAPXKZNRL-QMMMGPOBSA-N 0 3 242.319 0.429 20 0 BCADHN CCCCOC[C@@H](O)CN(C)C[C@@H](C)O ZINC000193249859 356897762 /nfs/dbraw/zinc/89/77/62/356897762.db2.gz CGURPWDGOJMJSP-MNOVXSKESA-N 0 3 219.325 0.477 20 0 BCADHN CC[C@@H]1CCCN(CC(=O)NC(N)=O)CC1 ZINC000117343315 356979203 /nfs/dbraw/zinc/97/92/03/356979203.db2.gz JAJFJXJHGKOXAS-SECBINFHSA-N 0 3 227.308 0.693 20 0 BCADHN CCOC(=O)[C@@H](C)CNC(=O)[C@@H](N)C1CCC1 ZINC000423197930 192621733 /nfs/dbraw/zinc/62/17/33/192621733.db2.gz CAAQQMUENGMURS-WPRPVWTQSA-N 0 3 242.319 0.429 20 0 BCADHN CCCCOC[C@@H](O)CN1C[C@H](O)C2(CC2)C1 ZINC000369486881 356987773 /nfs/dbraw/zinc/98/77/73/356987773.db2.gz XYIHPWFFIRSZOF-RYUDHWBXSA-N 0 3 243.347 0.621 20 0 BCADHN CC[C@@H](O)CN1CCCC[C@H]1C(=N)NO ZINC000369579329 356988566 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357605477 /nfs/dbraw/zinc/60/54/77/357605477.db2.gz KTWQFSNFOHSZIY-JLIMGVALSA-N 0 3 230.283 0.106 20 0 BCADHN Cc1ccc(CNCCc2ncn(C)n2)cn1 ZINC000159562790 538877955 /nfs/dbraw/zinc/87/79/55/538877955.db2.gz HFCFQZGWXGKABI-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN Cc1cnccc1CCN(CCO)C[C@H](C)O ZINC000397646795 357618258 /nfs/dbraw/zinc/61/82/58/357618258.db2.gz VQYSHXAKVQWEKE-LBPRGKRZSA-N 0 3 238.331 0.608 20 0 BCADHN CC[C@@]1(CO)CCCN1CC(=O)NCC(C)C ZINC000189641977 357650940 /nfs/dbraw/zinc/65/09/40/357650940.db2.gz ZTZGKDZUDLYWPO-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN COCCO[C@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000189647648 357651546 /nfs/dbraw/zinc/65/15/46/357651546.db2.gz UGVBTQUUXWQXKH-RYUDHWBXSA-N 0 3 229.320 0.903 20 0 BCADHN CCCNC(=O)CN1CCC[C@@]1(CC)CO ZINC000189680260 357656747 /nfs/dbraw/zinc/65/67/47/357656747.db2.gz XDSMACURZIHQGB-LBPRGKRZSA-N 0 3 228.336 0.750 20 0 BCADHN COc1ccc(C(=O)NCCN2CCCC2)cn1 ZINC000055177392 363587197 /nfs/dbraw/zinc/58/71/97/363587197.db2.gz DHXAXYYPHQWBTM-UHFFFAOYSA-N 0 3 249.314 0.916 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H]1CCO[C@H]1C ZINC000232017060 357638790 /nfs/dbraw/zinc/63/87/90/357638790.db2.gz UUNQOAAYGTXIMV-CIUDSAMLSA-N 0 3 200.282 0.407 20 0 BCADHN CCCN(C)CC(=O)NCCCC(=O)OCC ZINC000063761891 357716813 /nfs/dbraw/zinc/71/68/13/357716813.db2.gz ZDWJPVDNVLPVAT-UHFFFAOYSA-N 0 3 244.335 0.788 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000233448261 357723609 /nfs/dbraw/zinc/72/36/09/357723609.db2.gz SDWWORBAEOSSTI-CMPLNLGQSA-N 0 3 226.320 0.622 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000233040040 357693136 /nfs/dbraw/zinc/69/31/36/357693136.db2.gz BGKRXMJIHDHOGW-PWSUYJOCSA-N 0 3 226.320 0.670 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000233040010 357693178 /nfs/dbraw/zinc/69/31/78/357693178.db2.gz BGKRXMJIHDHOGW-ZYHUDNBSSA-N 0 3 226.320 0.670 20 0 BCADHN CO[C@H]1CC[C@@H](NC(=O)NCCN(C)C)C1 ZINC000190360938 357702943 /nfs/dbraw/zinc/70/29/43/357702943.db2.gz CGRBRTPFYQTJPP-ZJUUUORDSA-N 0 3 229.324 0.415 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)NCCN(C)C)C1 ZINC000190360973 357703065 /nfs/dbraw/zinc/70/30/65/357703065.db2.gz CGRBRTPFYQTJPP-NXEZZACHSA-N 0 3 229.324 0.415 20 0 BCADHN C[C@@H]1CN(C(=O)N2CCOCC2)[C@@H](C)CN1 ZINC000085963581 357706349 /nfs/dbraw/zinc/70/63/49/357706349.db2.gz CYAYZNDRLUYECC-ZJUUUORDSA-N 0 3 227.308 0.121 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190902892 357732505 /nfs/dbraw/zinc/73/25/05/357732505.db2.gz JMDKADDQVGAJFM-WOPDTQHZSA-N 0 3 242.363 0.707 20 0 BCADHN CCOC[C@@H](NCC(=O)NC1CC1)C(C)C ZINC000233725244 357740809 /nfs/dbraw/zinc/74/08/09/357740809.db2.gz QVYGJPVKBPUQFB-LLVKDONJSA-N 0 3 228.336 0.916 20 0 BCADHN CCN1CCC[C@@H](NC(=O)N2CCOCC2)C1 ZINC000132598792 325228460 /nfs/dbraw/zinc/22/84/60/325228460.db2.gz ZLXSGJVYGFMBDL-LLVKDONJSA-N 0 3 241.335 0.513 20 0 BCADHN CCN(CCN1CCC(C)CC1)CC(N)=O ZINC000191698525 357800326 /nfs/dbraw/zinc/80/03/26/357800326.db2.gz WUHOJKBGYQEAAW-UHFFFAOYSA-N 0 3 227.352 0.526 20 0 BCADHN CN(C)C[C@@H]1CN(Cc2ncccn2)CCO1 ZINC000192010220 357814086 /nfs/dbraw/zinc/81/40/86/357814086.db2.gz LFHISWNFAYJMQS-LLVKDONJSA-N 0 3 236.319 0.239 20 0 BCADHN C[C@@H](O)CCN(C)CCN1CCO[C@@H](C)C1 ZINC000191512280 357783223 /nfs/dbraw/zinc/78/32/23/357783223.db2.gz KESBCUSRUHFRNG-NEPJUHHUSA-N 0 3 230.352 0.410 20 0 BCADHN CN(C(=O)CN[C@@H]1CCO[C@H]1C1CC1)C1CC1 ZINC000234239826 357787315 /nfs/dbraw/zinc/78/73/15/357787315.db2.gz KLUUWECUWODBQV-YPMHNXCESA-N 0 3 238.331 0.764 20 0 BCADHN C[C@H](O)CN1CCCN(C(=O)C2CC2)CC1 ZINC000192813075 357855987 /nfs/dbraw/zinc/85/59/87/357855987.db2.gz DZGLVSGQQSTJGC-JTQLQIEISA-N 0 3 226.320 0.312 20 0 BCADHN CSC1(CNCC(=O)N2CCOCC2)CC1 ZINC000235223176 357858325 /nfs/dbraw/zinc/85/83/25/357858325.db2.gz ZZHWIRYYXIJGEL-UHFFFAOYSA-N 0 3 244.360 0.330 20 0 BCADHN CO[C@@H]1C[C@@H](NCC(=O)NC2CC2)C1(C)C ZINC000234827488 357832844 /nfs/dbraw/zinc/83/28/44/357832844.db2.gz KULGNSGHDAVWKP-NXEZZACHSA-N 0 3 226.320 0.668 20 0 BCADHN CN(C)CCNC(=O)NC[C@@H]1CCCO1 ZINC000074753571 325260089 /nfs/dbraw/zinc/26/00/89/325260089.db2.gz ZJAAOOCGTNMIHR-VIFPVBQESA-N 0 3 215.297 0.026 20 0 BCADHN NC(=O)c1ccc(C(=O)N2CCCNCC2)cc1 ZINC000237720875 181293056 /nfs/dbraw/zinc/29/30/56/181293056.db2.gz QWFVULUMQHQBJV-UHFFFAOYSA-N 0 3 247.298 0.221 20 0 BCADHN C[C@@H](CN1CCCCC1)NC(=O)C(C)(C)O ZINC000235131665 357847106 /nfs/dbraw/zinc/84/71/06/357847106.db2.gz OMYKUVJTRVWJKT-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@H](C)NC(=O)C(C)S(=O)(=O)CC ZINC000193278084 357872279 /nfs/dbraw/zinc/87/22/79/357872279.db2.gz CDNPHSQMJODVTQ-YUMQZZPRSA-N 0 3 221.322 0.724 20 0 BCADHN C[C@H](N[C@@H]1CCC(=O)NC1)c1ccnn1C ZINC000235520111 357875290 /nfs/dbraw/zinc/87/52/90/357875290.db2.gz ABGHZPVQVBVULP-DTWKUNHWSA-N 0 3 222.292 0.349 20 0 BCADHN C[C@H](NCCCS(C)(=O)=O)c1ccnn1C ZINC000235525059 357875725 /nfs/dbraw/zinc/87/57/25/357875725.db2.gz YZCYUMCYGFVVJI-VIFPVBQESA-N 0 3 245.348 0.505 20 0 BCADHN COCCN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639928303 357877549 /nfs/dbraw/zinc/87/75/49/357877549.db2.gz MTPYVWQDRUNCHO-CHWSQXEVSA-N 0 3 237.299 0.757 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@@H]1NCCCC1(C)C ZINC000235542429 357878389 /nfs/dbraw/zinc/87/83/89/357878389.db2.gz FFQSBHKHSPKEQT-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN CN(C(=O)CN1CCC[C@@]1(C)CO)C1CC1 ZINC000546105333 325266376 /nfs/dbraw/zinc/26/63/76/325266376.db2.gz YFILCFMRSIZGQW-LBPRGKRZSA-N 0 3 226.320 0.454 20 0 BCADHN N[C@H](C(=O)NCc1cc[nH]n1)C1CCC1 ZINC000398973285 357891897 /nfs/dbraw/zinc/89/18/97/357891897.db2.gz AJJYHUAALRBQIE-VIFPVBQESA-N 0 3 208.265 0.153 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)C1CCC1)c1cn[nH]c1 ZINC000399015169 357893811 /nfs/dbraw/zinc/89/38/11/357893811.db2.gz FOZDLGAGLNCEDX-XVKPBYJWSA-N 0 3 222.292 0.714 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@@H](N)C1CCC1 ZINC000399138442 357896866 /nfs/dbraw/zinc/89/68/66/357896866.db2.gz SRWNOENQKXSKAE-KOLCDFICSA-N 0 3 228.336 0.639 20 0 BCADHN C[C@H](CNC(=O)[C@@H](O)C1CC1)N(C)C1CC1 ZINC000668096014 491116841 /nfs/dbraw/zinc/11/68/41/491116841.db2.gz WBNYRPKCJYWNRQ-KCJUWKMLSA-N 0 3 226.320 0.356 20 0 BCADHN CC1(CNC(=O)[C@@H](N)C2CCC2)COC1 ZINC000399250393 357899561 /nfs/dbraw/zinc/89/95/61/357899561.db2.gz XNXTVCNOHYCXHL-VIFPVBQESA-N 0 3 212.293 0.267 20 0 BCADHN CC[C@@H](N)C(=O)N(C)C[C@@H]1CCOC1 ZINC000399243496 357899590 /nfs/dbraw/zinc/89/95/90/357899590.db2.gz JODAXKQYIBNPSG-DTWKUNHWSA-N 0 3 200.282 0.219 20 0 BCADHN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2N)no1 ZINC000583316644 357899614 /nfs/dbraw/zinc/89/96/14/357899614.db2.gz GJDLJKXZWOGPPQ-VGMNWLOBSA-N 0 3 236.275 0.389 20 0 BCADHN Cn1cncc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000583719725 357909276 /nfs/dbraw/zinc/90/92/76/357909276.db2.gz AKOMEEPBGQEWCG-JTQLQIEISA-N 0 3 236.319 0.492 20 0 BCADHN CC(C)(C)C[N@@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000193463174 357928385 /nfs/dbraw/zinc/92/83/85/357928385.db2.gz WFYYQNJFLAQTEN-GFCCVEGCSA-N 0 3 239.319 0.707 20 0 BCADHN CC(C)(C)C[N@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000193463174 357928390 /nfs/dbraw/zinc/92/83/90/357928390.db2.gz WFYYQNJFLAQTEN-GFCCVEGCSA-N 0 3 239.319 0.707 20 0 BCADHN CCN(C)C(=O)CNC[C@@H](O)CC1CCCC1 ZINC000218157300 357921284 /nfs/dbraw/zinc/92/12/84/357921284.db2.gz RWEUAMUAPVRPEP-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN COCC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000055401168 363591987 /nfs/dbraw/zinc/59/19/87/363591987.db2.gz SNKDTYHCXFZXPA-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1nc(CCNC(=O)[C@@H]2C[C@@H]2N)c(C)o1 ZINC000583747135 357932615 /nfs/dbraw/zinc/93/26/15/357932615.db2.gz CJTCQINRBIXZIV-BDAKNGLRSA-N 0 3 223.276 0.297 20 0 BCADHN COC(=O)CCN1CCC(NC(C)=O)CC1 ZINC000050991306 357945649 /nfs/dbraw/zinc/94/56/49/357945649.db2.gz UKIKSJGEBMJYLC-UHFFFAOYSA-N 0 3 228.292 0.150 20 0 BCADHN COC[C@H]1CN(C(=O)CNC2CC2)C[C@H](C)O1 ZINC000583810729 357955327 /nfs/dbraw/zinc/95/53/27/357955327.db2.gz FKIBTUFYPOKIJL-GXSJLCMTSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@H]1C[C@H](NC(=O)N2C[C@@H](C)NC[C@@H]2C)CO1 ZINC000583810946 357955595 /nfs/dbraw/zinc/95/55/95/357955595.db2.gz SLWGOODXHWLOLD-RCWTZXSCSA-N 0 3 241.335 0.556 20 0 BCADHN CCCCOCCNC(=O)NCCN(C)C ZINC000133545959 325299774 /nfs/dbraw/zinc/29/97/74/325299774.db2.gz CYZSLKZGONCCIS-UHFFFAOYSA-N 0 3 231.340 0.664 20 0 BCADHN COC[C@@](C)(CO)NCCCc1nc(C)no1 ZINC000639955903 357977981 /nfs/dbraw/zinc/97/79/81/357977981.db2.gz AKRSRMONKDIEQT-LLVKDONJSA-N 0 3 243.307 0.298 20 0 BCADHN CC[C@H](CN[C@@](C)(CO)COC)OC ZINC000639957133 357980899 /nfs/dbraw/zinc/98/08/99/357980899.db2.gz JPEDDEYQDGHVEQ-ZJUUUORDSA-N 0 3 205.298 0.398 20 0 BCADHN CC[C@@H](CN[C@](C)(CO)COC)OC ZINC000639957132 357981255 /nfs/dbraw/zinc/98/12/55/357981255.db2.gz JPEDDEYQDGHVEQ-VHSXEESVSA-N 0 3 205.298 0.398 20 0 BCADHN COC[C@](C)(CO)NCCOCC(C)C ZINC000639958315 357982729 /nfs/dbraw/zinc/98/27/29/357982729.db2.gz RUJPQAKNDDKOMM-NSHDSACASA-N 0 3 219.325 0.646 20 0 BCADHN CCO[C@@H](CN[C@](C)(CO)COC)C1CC1 ZINC000639959157 357983602 /nfs/dbraw/zinc/98/36/02/357983602.db2.gz ZJKMPXZFUYZYLS-NWDGAFQWSA-N 0 3 231.336 0.789 20 0 BCADHN COC[C@@](C)(CO)NC[C@H](O)CCC(C)C ZINC000639958467 357983962 /nfs/dbraw/zinc/98/39/62/357983962.db2.gz SSYMNPPTOUEBHZ-VXGBXAGGSA-N 0 3 233.352 0.771 20 0 BCADHN CCO[C@@H](CN[C@@](C)(CO)COC)C1CC1 ZINC000639959158 357983984 /nfs/dbraw/zinc/98/39/84/357983984.db2.gz ZJKMPXZFUYZYLS-RYUDHWBXSA-N 0 3 231.336 0.789 20 0 BCADHN COC[C@@](C)(CO)NCCc1cscn1 ZINC000639959121 357984027 /nfs/dbraw/zinc/98/40/27/357984027.db2.gz YJYLAVRBWQQAHC-SNVBAGLBSA-N 0 3 230.333 0.673 20 0 BCADHN CC(C)CCNC(=O)NCCN(C)C ZINC000036179617 358011922 /nfs/dbraw/zinc/01/19/22/358011922.db2.gz KJHUTNUIGFBZPY-UHFFFAOYSA-N 0 3 201.314 0.893 20 0 BCADHN CC(=O)CSCC(=O)N(C)CCCN(C)C ZINC000584506018 358014637 /nfs/dbraw/zinc/01/46/37/358014637.db2.gz NINXXSWESKOBRS-UHFFFAOYSA-N 0 3 246.376 0.719 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCCO1)N1CCCC1 ZINC000036076931 358014887 /nfs/dbraw/zinc/01/48/87/358014887.db2.gz OIRVEBOSPJGTKC-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN NC(=O)NC(=O)CN(C1CCC1)C1CCC1 ZINC000584506302 358014929 /nfs/dbraw/zinc/01/49/29/358014929.db2.gz WWKJRDLFRBLFHZ-UHFFFAOYSA-N 0 3 225.292 0.588 20 0 BCADHN CO[C@H]1CN(Cc2cn[nH]c2)[C@](C)(CO)C1 ZINC000639998129 358035746 /nfs/dbraw/zinc/03/57/46/358035746.db2.gz CUJHMFOGUSNPTB-MNOVXSKESA-N 0 3 225.292 0.381 20 0 BCADHN COCCOCCN1C[C@@H](OC)C[C@@]1(C)CO ZINC000639999104 358035914 /nfs/dbraw/zinc/03/59/14/358035914.db2.gz HMBNMGNWEJTKMC-RYUDHWBXSA-N 0 3 247.335 0.121 20 0 BCADHN CO[C@@H]1CN(CCOCC2CC2)[C@@](C)(CO)C1 ZINC000639999622 358036099 /nfs/dbraw/zinc/03/60/99/358036099.db2.gz JWIXWVRVKSYHGE-QWHCGFSZSA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)CC(=O)NC[C@H]1CNCCO1 ZINC000036285470 358018793 /nfs/dbraw/zinc/01/87/93/358018793.db2.gz CHIXOOYUJHGECA-SECBINFHSA-N 0 3 200.282 0.137 20 0 BCADHN O=C(CC(F)(F)F)NC[C@@H]1CNCCO1 ZINC000036285517 358018965 /nfs/dbraw/zinc/01/89/65/358018965.db2.gz UARKNWJDIRAGLM-LURJTMIESA-N 0 3 226.198 0.043 20 0 BCADHN CC[C@@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000036285522 358019406 /nfs/dbraw/zinc/01/94/06/358019406.db2.gz NUJRJQNADPZVPS-BDAKNGLRSA-N 0 3 200.282 0.137 20 0 BCADHN COc1ccnc(N2C[C@H]3CCC[C@@H](C2)N3)n1 ZINC000584520356 358029772 /nfs/dbraw/zinc/02/97/72/358029772.db2.gz UTXHDZJYUYBAQU-AOOOYVTPSA-N 0 3 234.303 0.816 20 0 BCADHN NCC1(C(=O)N[C@H]2CC[S@@](=O)C2)CCCC1 ZINC000584527949 358041017 /nfs/dbraw/zinc/04/10/17/358041017.db2.gz QNXSDUJWCHOUNK-XXFAHNHDSA-N 0 3 244.360 0.143 20 0 BCADHN Cc1c[nH]c(NC(=O)CCOC2CNC2)n1 ZINC000584528104 358042058 /nfs/dbraw/zinc/04/20/58/358042058.db2.gz APYBFRPJNCCPRJ-UHFFFAOYSA-N 0 3 224.264 0.035 20 0 BCADHN CS(=O)(=O)NCCN1CCC[C@@H]2CCC[C@@H]21 ZINC000075768728 325311309 /nfs/dbraw/zinc/31/13/09/325311309.db2.gz CGURMZYUNUUQLB-QWRGUYRKSA-N 0 3 246.376 0.800 20 0 BCADHN CN(CC1(O)CCC1)[C@@H]1CCCN(C)C1=O ZINC000546801717 325312199 /nfs/dbraw/zinc/31/21/99/325312199.db2.gz YFWRDMIZPVXQPT-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000037041291 358063994 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BCADHN C[C@@H](C(=O)N(CCN(C)C)C1CC1)N(C)C ZINC000640126167 358205514 /nfs/dbraw/zinc/20/55/14/358205514.db2.gz GEQJBDLRVSSDHG-JTQLQIEISA-N 0 3 227.352 0.489 20 0 BCADHN COCCOC1CCN(C[C@H](O)COC)CC1 ZINC000172097665 134261672 /nfs/dbraw/zinc/26/16/72/134261672.db2.gz KKGPVIIAJQIJIG-NSHDSACASA-N 0 3 247.335 0.121 20 0 BCADHN COC(=O)CCCN1CCC[C@@H](OCCO)C1 ZINC000172096549 134261805 /nfs/dbraw/zinc/26/18/05/134261805.db2.gz FZSVAYVJOMZRNT-LLVKDONJSA-N 0 3 245.319 0.413 20 0 BCADHN COCCN(C)CCNC(=O)[C@H](C)C(C)C ZINC000171973479 134263277 /nfs/dbraw/zinc/26/32/77/134263277.db2.gz DTDNCAIXOMDGLV-LLVKDONJSA-N 0 3 230.352 0.973 20 0 BCADHN CCC[C@H](OC)C(=O)NCCN(CC)CCO ZINC000450683916 202232991 /nfs/dbraw/zinc/23/29/91/202232991.db2.gz QXIQPSJLKXDNGQ-NSHDSACASA-N 0 3 246.351 0.232 20 0 BCADHN NC(=O)c1ccc(CNCCn2cccn2)cc1 ZINC000042351630 181295796 /nfs/dbraw/zinc/29/57/96/181295796.db2.gz GABLPKAKMREZRX-UHFFFAOYSA-N 0 3 244.298 0.772 20 0 BCADHN CN[C@@H](C)C(=O)NCC[C@H]1CCCCO1 ZINC000224053480 358230792 /nfs/dbraw/zinc/23/07/92/358230792.db2.gz BKAYUWBOALSBDQ-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN CC(C)[C@H]1CN(C[C@@H]2CCC(=O)N2)CCN1C ZINC000640140587 358232070 /nfs/dbraw/zinc/23/20/70/358232070.db2.gz BROUKDJIUOORQS-NWDGAFQWSA-N 0 3 239.363 0.537 20 0 BCADHN CCN(C)CCNC(=O)NCCn1cccn1 ZINC000172020992 134264409 /nfs/dbraw/zinc/26/44/09/134264409.db2.gz WOIAIJVVQQBGMB-UHFFFAOYSA-N 0 3 239.323 0.134 20 0 BCADHN CC[C@H](C(N)=O)N1CCCN(C2CC2)CC1 ZINC000172346932 134264622 /nfs/dbraw/zinc/26/46/22/134264622.db2.gz OWSLUJKYRQQQAW-LLVKDONJSA-N 0 3 225.336 0.420 20 0 BCADHN O=C(CNC1CC1)Nc1ccc(CCO)cc1 ZINC000040739235 358246006 /nfs/dbraw/zinc/24/60/06/358246006.db2.gz YLYLNSSWNZZZLL-UHFFFAOYSA-N 0 3 234.299 0.912 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H](O)CC(C)(C)C ZINC000225287112 358247645 /nfs/dbraw/zinc/24/76/45/358247645.db2.gz IBKJOKUXKXUMDI-DTWKUNHWSA-N 0 3 216.325 0.637 20 0 BCADHN CC[C@@H](C)CN(C)CC(=O)NC(N)=O ZINC000171950001 134262992 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/nfs/dbraw/zinc/30/17/70/358301770.db2.gz SSGZRARFHYSTLO-VIFPVBQESA-N 0 3 236.271 0.192 20 0 BCADHN COc1ncncc1CN(C)CC1CN(C)C1 ZINC000668539481 491127395 /nfs/dbraw/zinc/12/73/95/491127395.db2.gz XLBZDSKJUSQPPQ-UHFFFAOYSA-N 0 3 236.319 0.479 20 0 BCADHN COc1ncc(CN[C@H](C)[C@@H](C)CO)c(C)n1 ZINC000450739134 202251966 /nfs/dbraw/zinc/25/19/66/202251966.db2.gz PQPIVOUEUGZWNW-DTWKUNHWSA-N 0 3 239.319 0.900 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000389081752 358282984 /nfs/dbraw/zinc/28/29/84/358282984.db2.gz YVTYOBSCBYLPIB-GUBZILKMSA-N 0 3 214.309 0.655 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N[C@@H]1CCSC1 ZINC000226357689 358337396 /nfs/dbraw/zinc/33/73/96/358337396.db2.gz MHTJQZUNTKELFS-HTQZYQBOSA-N 0 3 216.350 0.982 20 0 BCADHN CC1(CN[C@H]2CCS(=O)(=O)C2)CC1 ZINC000226373010 358337619 /nfs/dbraw/zinc/33/76/19/358337619.db2.gz GGIXHWGFSZFOGI-QMMMGPOBSA-N 0 3 203.307 0.563 20 0 BCADHN Cc1c(CNC(=O)[C@@H](N)C(C)(C)C)cnn1C ZINC000226414605 358339050 /nfs/dbraw/zinc/33/90/50/358339050.db2.gz FPMVIWXBXBJNSP-SNVBAGLBSA-N 0 3 238.335 0.718 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)C2CC(OC)C2)C1 ZINC000626059905 491129020 /nfs/dbraw/zinc/12/90/20/491129020.db2.gz HUDCHSRZIAZLMS-HBIQZDMRSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)C(=O)N(C)C ZINC000226593708 358340744 /nfs/dbraw/zinc/34/07/44/358340744.db2.gz GZDSPXYKEVFVED-XHNCKOQMSA-N 0 3 214.309 0.212 20 0 BCADHN C[N@H+](CCCN1CCCC1)CC(=O)[O-] ZINC000042321853 358346643 /nfs/dbraw/zinc/34/66/43/358346643.db2.gz WPYXCOBMTFWATE-UHFFFAOYSA-N 0 3 200.282 0.489 20 0 BCADHN C[N@@H+](CCCN1CCCC1)CC(=O)[O-] ZINC000042321853 358346644 /nfs/dbraw/zinc/34/66/44/358346644.db2.gz WPYXCOBMTFWATE-UHFFFAOYSA-N 0 3 200.282 0.489 20 0 BCADHN CN(CCC[NH+]1CCCC1)CC(=O)[O-] ZINC000042321853 358346645 /nfs/dbraw/zinc/34/66/45/358346645.db2.gz WPYXCOBMTFWATE-UHFFFAOYSA-N 0 3 200.282 0.489 20 0 BCADHN COC(=O)[C@](C)(O)CN1C[C@@H](C)S[C@@H](C)C1 ZINC000227071251 358348270 /nfs/dbraw/zinc/34/82/70/358348270.db2.gz KRVZWJOXMWKBRT-WCABBAIRSA-N 0 3 247.360 0.736 20 0 BCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)C1CC1 ZINC000173248779 134273108 /nfs/dbraw/zinc/27/31/08/134273108.db2.gz HAHNQUKKTHRMSR-KOLCDFICSA-N 0 3 246.376 0.751 20 0 BCADHN COCCN1CCC(N[C@H](C)C(=O)OC)CC1 ZINC000173644158 134275906 /nfs/dbraw/zinc/27/59/06/134275906.db2.gz SBHKXRGSMNZGQE-SNVBAGLBSA-N 0 3 244.335 0.248 20 0 BCADHN CO[C@H](CN)C(=O)NCCCC1CC1 ZINC000227408644 358356029 /nfs/dbraw/zinc/35/60/29/358356029.db2.gz NMOCLUCXGSLWPE-SECBINFHSA-N 0 3 200.282 0.267 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H](C)C(C)(C)C ZINC000227404079 358356255 /nfs/dbraw/zinc/35/62/55/358356255.db2.gz RLPRLLFTALNTCH-SFYZADRCSA-N 0 3 202.298 0.511 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cc(Cl)ccn1 ZINC000227416551 358356684 /nfs/dbraw/zinc/35/66/84/358356684.db2.gz FWCVVAAKTRGFSO-ZETCQYMHSA-N 0 3 229.667 0.647 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@H](C)c1nccs1 ZINC000227418936 358356741 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YHTQSGPTISMZDV-VIFPVBQESA-N 0 3 210.281 0.331 20 0 BCADHN COc1cc(-c2noc([C@H]3CCCN3)n2)ncn1 ZINC000230141595 358394714 /nfs/dbraw/zinc/39/47/14/358394714.db2.gz GRKLMWCVPYKKCB-SSDOTTSWSA-N 0 3 247.258 0.960 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCOC1)c1ccnn1C ZINC000219290501 134277791 /nfs/dbraw/zinc/27/77/91/134277791.db2.gz NBQRYZNIVSORKZ-KOLCDFICSA-N 0 3 225.292 0.222 20 0 BCADHN CC(C)(N)C(=O)NCCCCn1ccnc1 ZINC000045109198 358400908 /nfs/dbraw/zinc/40/09/08/358400908.db2.gz LVFOVDFHDNIEMH-UHFFFAOYSA-N 0 3 224.308 0.517 20 0 BCADHN CCOC[C@H](O)CNCc1cc(C)nn1C ZINC000309414504 358447036 /nfs/dbraw/zinc/44/70/36/358447036.db2.gz KOIFKSISOJXDJC-LLVKDONJSA-N 0 3 227.308 0.216 20 0 BCADHN COCCCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425057100 358515787 /nfs/dbraw/zinc/51/57/87/358515787.db2.gz LSAXBKXAEGCFFZ-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CCc1cnc(CNC(=O)CNC2CC2)o1 ZINC000231645050 358417727 /nfs/dbraw/zinc/41/77/27/358417727.db2.gz RHRWZHXDNUCMTG-UHFFFAOYSA-N 0 3 223.276 0.605 20 0 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ZINC000130164195 358611734 /nfs/dbraw/zinc/61/17/34/358611734.db2.gz JQZDCTAQAMDHEI-BJOHPYRUSA-N 0 3 229.349 0.667 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000130786611 358643524 /nfs/dbraw/zinc/64/35/24/358643524.db2.gz AIGBXZASCIFGNP-VXGBXAGGSA-N 0 3 233.315 0.863 20 0 BCADHN CC1(C)CN(c2nccn3cnnc23)CCN1 ZINC000212702148 358620456 /nfs/dbraw/zinc/62/04/56/358620456.db2.gz MQFIXELWEYJIIV-UHFFFAOYSA-N 0 3 232.291 0.313 20 0 BCADHN CN1CC[C@H]2CCN(C(=O)NCC(F)F)[C@H]2C1 ZINC000640195915 358629138 /nfs/dbraw/zinc/62/91/38/358629138.db2.gz UBMNHKOBEVVYBX-IUCAKERBSA-N 0 3 247.289 0.987 20 0 BCADHN CN1CC[C@@H]2CCN(C(=O)NCC(F)F)[C@H]2C1 ZINC000640195913 358629460 /nfs/dbraw/zinc/62/94/60/358629460.db2.gz UBMNHKOBEVVYBX-BDAKNGLRSA-N 0 3 247.289 0.987 20 0 BCADHN CC1(C)CN(C(=O)[C@H](O)c2ccccc2)CCN1 ZINC000175404261 134285619 /nfs/dbraw/zinc/28/56/19/134285619.db2.gz YDNAEXGDBOLNDZ-GFCCVEGCSA-N 0 3 248.326 0.930 20 0 BCADHN CCCN(CC)CCNS(=O)(=O)C1CC1 ZINC000175361254 134285668 /nfs/dbraw/zinc/28/56/68/134285668.db2.gz FXBGWXPFQRHVKO-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN Cn1nncc1CN1CCN(CC2CC2)CC1 ZINC000130640520 358638341 /nfs/dbraw/zinc/63/83/41/358638341.db2.gz KTEHFRXDHGPGQN-UHFFFAOYSA-N 0 3 235.335 0.343 20 0 BCADHN CCN1CCC[C@@H]1CNCc1cnnn1C ZINC000129690192 358592315 /nfs/dbraw/zinc/59/23/15/358592315.db2.gz MEFSTYWCNLOZAI-SNVBAGLBSA-N 0 3 223.324 0.389 20 0 BCADHN Cc1csc(=O)n1CCN(C)C[C@H](C)O ZINC000131099034 358659702 /nfs/dbraw/zinc/65/97/02/358659702.db2.gz STRVLGQCGXNJRM-VIFPVBQESA-N 0 3 230.333 0.531 20 0 BCADHN CN1CC[C@@H](NC(=O)Nc2nccs2)C1 ZINC000048909413 358660472 /nfs/dbraw/zinc/66/04/72/358660472.db2.gz UXHWGJPSFCPNEA-SSDOTTSWSA-N 0 3 226.305 0.969 20 0 BCADHN CCOCCCN(CC(N)=O)C(C)(C)C ZINC000131144884 358662112 /nfs/dbraw/zinc/66/21/12/358662112.db2.gz YRIMYHFIEMJFKS-UHFFFAOYSA-N 0 3 216.325 0.999 20 0 BCADHN CC(C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000049282645 358679640 /nfs/dbraw/zinc/67/96/40/358679640.db2.gz QFFQBLFYXJLXMW-QMMMGPOBSA-N 0 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CCCCN(C)CC(=O)N1CCN(C)CC1 ZINC000133457978 358755352 /nfs/dbraw/zinc/75/53/52/358755352.db2.gz PEAHOGRAINOYPJ-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1O ZINC000052010000 358771180 /nfs/dbraw/zinc/77/11/80/358771180.db2.gz WLXIKCOBZCLAEZ-GARJFASQSA-N 0 3 228.336 0.780 20 0 BCADHN C[C@H](O)CN(C)Cc1cc(=O)n2ccccc2n1 ZINC000051837787 358764142 /nfs/dbraw/zinc/76/41/42/358764142.db2.gz FTQJKDYMRPZWSL-JTQLQIEISA-N 0 3 247.298 0.507 20 0 BCADHN C[C@@H](O)CN(C)Cc1cc(=O)n2ccccc2n1 ZINC000051837789 358764512 /nfs/dbraw/zinc/76/45/12/358764512.db2.gz FTQJKDYMRPZWSL-SNVBAGLBSA-N 0 3 247.298 0.507 20 0 BCADHN CCC[C@H](C)NC(=O)[C@H](C)N1CC[C@H](CO)C1 ZINC000051888007 358765193 /nfs/dbraw/zinc/76/51/93/358765193.db2.gz CJWIEZGZWIHHSL-SRVKXCTJSA-N 0 3 242.363 0.994 20 0 BCADHN CCCCCNC(=O)[C@@H](C)N1CC[C@H](CO)C1 ZINC000051887984 358765436 /nfs/dbraw/zinc/76/54/36/358765436.db2.gz NEYPFEXEJIVQAM-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C)[C@@H](O)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000132172532 358709739 /nfs/dbraw/zinc/70/97/39/358709739.db2.gz ZPIRPPCVUAXSOQ-AXFHLTTASA-N 0 3 249.376 0.560 20 0 BCADHN O[C@H]1CCCN(CCO[C@H]2CCCCO2)C1 ZINC000050103550 358714766 /nfs/dbraw/zinc/71/47/66/358714766.db2.gz XCEWHNZGFYOZCO-RYUDHWBXSA-N 0 3 229.320 0.986 20 0 BCADHN CCc1nc(C(=O)NC[C@@H]2CCN(C)C2)co1 ZINC000132543558 358727569 /nfs/dbraw/zinc/72/75/69/358727569.db2.gz SQUJLWYNDPLZRE-VIFPVBQESA-N 0 3 237.303 0.919 20 0 BCADHN COCCCCN(CC(N)=O)C(C)(C)C ZINC000134002780 358775570 /nfs/dbraw/zinc/77/55/70/358775570.db2.gz MWKQWJOLGIYOBR-UHFFFAOYSA-N 0 3 216.325 0.999 20 0 BCADHN NC(=O)c1ccc(CNCC2(O)CCC2)cc1 ZINC000134518659 358794498 /nfs/dbraw/zinc/79/44/98/358794498.db2.gz BILPHAIYMWXMJR-UHFFFAOYSA-N 0 3 234.299 0.790 20 0 BCADHN CC[C@H]1CN(C)CCN1CCC(=O)OC ZINC000578233366 366463243 /nfs/dbraw/zinc/46/32/43/366463243.db2.gz IMEIWGQIXCPDIJ-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CCC[C@H](C)CN1CCO[C@@H](CC(N)=O)C1 ZINC000628474699 358865224 /nfs/dbraw/zinc/86/52/24/358865224.db2.gz MAMLUDFBEQWNCM-QWRGUYRKSA-N 0 3 228.336 0.999 20 0 BCADHN COC(=O)CCCN1CCC(OCCO)CC1 ZINC000135391379 358836209 /nfs/dbraw/zinc/83/62/09/358836209.db2.gz OZUWJUZSCIXCNS-UHFFFAOYSA-N 0 3 245.319 0.413 20 0 BCADHN C[C@](CO)(NCCn1cncn1)c1ccccc1 ZINC000385511416 358844224 /nfs/dbraw/zinc/84/42/24/358844224.db2.gz NBCNDCFHACSHLE-CYBMUJFWSA-N 0 3 246.314 0.775 20 0 BCADHN CN(CCO)[C@@H]1CCCc2c1cnn2C ZINC000135572676 358845548 /nfs/dbraw/zinc/84/55/48/358845548.db2.gz MEWOJUHTOLLJRK-SNVBAGLBSA-N 0 3 209.293 0.722 20 0 BCADHN CCN[C@H](C)C(=O)N1CCO[C@@H](C)C1 ZINC000308579423 491137176 /nfs/dbraw/zinc/13/71/76/491137176.db2.gz FYSDQFNUKSIVJT-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N1CCOCC1 ZINC000139754468 358913871 /nfs/dbraw/zinc/91/38/71/358913871.db2.gz ZXNROZZYPAKDTF-JTQLQIEISA-N 0 3 227.308 0.122 20 0 BCADHN CCOC[C@@H](O)CN1CC(C(C)C)C1 ZINC000308696674 491137785 /nfs/dbraw/zinc/13/77/85/491137785.db2.gz TVKSYRQMYMVWMA-NSHDSACASA-N 0 3 201.310 0.972 20 0 BCADHN NC(=O)c1ccc(NC(=O)[C@@H]2CCCCN2)cc1 ZINC000019410726 181299148 /nfs/dbraw/zinc/29/91/48/181299148.db2.gz QDAQGDZGEQLABN-NSHDSACASA-N 0 3 247.298 0.866 20 0 BCADHN C[C@H](N[C@@]1(C)CCO[C@H]1C)C(=O)NC1CC1 ZINC000300362349 358977018 /nfs/dbraw/zinc/97/70/18/358977018.db2.gz CEEWKWORVLPXMJ-AUTRQRHGSA-N 0 3 226.320 0.811 20 0 BCADHN NC(=O)C[C@@H]1CN(C[C@H]2CCSC2)CCO1 ZINC000628475363 358948750 /nfs/dbraw/zinc/94/87/50/358948750.db2.gz PPHHSMNQWZTAFC-NXEZZACHSA-N 0 3 244.360 0.316 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CO)C[C@H](C)S1 ZINC000228127882 358951214 /nfs/dbraw/zinc/95/12/14/358951214.db2.gz JOIPGQLARLQUJX-HRDYMLBCSA-N 0 3 205.323 0.165 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CO)C[C@@H](C)S1 ZINC000228127871 358951290 /nfs/dbraw/zinc/95/12/90/358951290.db2.gz JOIPGQLARLQUJX-IWSPIJDZSA-N 0 3 205.323 0.165 20 0 BCADHN CO[C@H](C)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000130205948 358952130 /nfs/dbraw/zinc/95/21/30/358952130.db2.gz LWLWPXDVDKBOHY-SECBINFHSA-N 0 3 240.307 0.418 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CCCOC1)N(C)C ZINC000177954091 134302076 /nfs/dbraw/zinc/30/20/76/134302076.db2.gz DRNWKGZCQJBLPZ-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCCO[C@H](C)C1 ZINC000069606196 359029851 /nfs/dbraw/zinc/02/98/51/359029851.db2.gz ZDYNARMYXVVWOT-NEPJUHHUSA-N 0 3 231.336 0.883 20 0 BCADHN CCNC(=O)CN[C@H]1CCO[C@@H](C(C)C)C1 ZINC000069861756 359035819 /nfs/dbraw/zinc/03/58/19/359035819.db2.gz LFQNRICYLWUPBB-WDEREUQCSA-N 0 3 228.336 0.916 20 0 BCADHN CCOC[C@H](O)CN1CCC(C(=O)OC)CC1 ZINC000070079367 359040330 /nfs/dbraw/zinc/04/03/30/359040330.db2.gz CMTMTKXWGXOAKV-LLVKDONJSA-N 0 3 245.319 0.269 20 0 BCADHN C[C@@H]1CC[C@H](NC(=O)C(=O)NCCN)[C@H](C)C1 ZINC000070110407 359042196 /nfs/dbraw/zinc/04/21/96/359042196.db2.gz MGIWNVPNXALFKG-BBBLOLIVSA-N 0 3 241.335 0.002 20 0 BCADHN Cc1n[nH]cc1C(=O)NCCN1CCCC1 ZINC000070212367 359044544 /nfs/dbraw/zinc/04/45/44/359044544.db2.gz VPQOTMCTJXRKTB-UHFFFAOYSA-N 0 3 222.292 0.544 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)CC[C@H](C)O ZINC000158348844 359018639 /nfs/dbraw/zinc/01/86/39/359018639.db2.gz CRIUROYOUKCBAB-GXSJLCMTSA-N 0 3 216.325 0.733 20 0 BCADHN c1nn2ccccc2c1CNC[C@@H]1COCCO1 ZINC000071373176 359078350 /nfs/dbraw/zinc/07/83/50/359078350.db2.gz DAULLZGSVRIIIJ-GFCCVEGCSA-N 0 3 247.298 0.839 20 0 BCADHN NC(=O)c1ccc(NCCN2CCCC2)nn1 ZINC000095011207 181299695 /nfs/dbraw/zinc/29/96/95/181299695.db2.gz IXSMWKZASYBEDO-UHFFFAOYSA-N 0 3 235.291 0.083 20 0 BCADHN COCCN1CCCN(CCOC)CC1 ZINC000071811710 359081957 /nfs/dbraw/zinc/08/19/57/359081957.db2.gz ODRJYTQZQWMRFA-UHFFFAOYSA-N 0 3 216.325 0.287 20 0 BCADHN CCNC(=O)CN1CCC[C@H](N(C)C)C1 ZINC000072097765 359084352 /nfs/dbraw/zinc/08/43/52/359084352.db2.gz CVCSEWQKLCZQGI-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN CN(C)Cc1cccc(CNS(N)(=O)=O)c1 ZINC000073636742 359104749 /nfs/dbraw/zinc/10/47/49/359104749.db2.gz 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CC[C@@H](N)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000578631052 366614024 /nfs/dbraw/zinc/61/40/24/366614024.db2.gz OCAGDRRPDXBYEN-GHMZBOCLSA-N 0 3 225.336 0.419 20 0 BCADHN CCC[C@H](C)[C@H](CO)NCC(=O)N1CCCC1 ZINC000578631815 366614126 /nfs/dbraw/zinc/61/41/26/366614126.db2.gz BZKMXVABNVQVJS-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CCN(CCN1CCCOCC1)C1COC1 ZINC000451282964 202395581 /nfs/dbraw/zinc/39/55/81/202395581.db2.gz DKWLLRROKKVUDU-UHFFFAOYSA-N 0 3 228.336 0.429 20 0 BCADHN CCN(CCCN(CC)C1COC1)C1COC1 ZINC000451289432 202397789 /nfs/dbraw/zinc/39/77/89/202397789.db2.gz VSNVCMZUQPHKAM-UHFFFAOYSA-N 0 3 242.363 0.818 20 0 BCADHN COC[C@@H](N[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000087480594 359914186 /nfs/dbraw/zinc/91/41/86/359914186.db2.gz ULBDSONYKQMICC-WDEREUQCSA-N 0 3 247.360 0.578 20 0 BCADHN CC(C)CN1CCN(CCO)C[C@@H]1C ZINC000019365861 359930834 /nfs/dbraw/zinc/93/08/34/359930834.db2.gz QPVOCSIHPPBUPU-NSHDSACASA-N 0 3 200.326 0.641 20 0 BCADHN COCCNCC(=O)N(C)Cc1ccco1 ZINC000087555661 359917513 /nfs/dbraw/zinc/91/75/13/359917513.db2.gz XRJRNAKNAUYCIX-UHFFFAOYSA-N 0 3 226.276 0.474 20 0 BCADHN COCCNCC(=O)N(C)Cc1cccs1 ZINC000087555658 359917674 /nfs/dbraw/zinc/91/76/74/359917674.db2.gz MTBOAJZOZFOLSV-UHFFFAOYSA-N 0 3 242.344 0.943 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)CC(C)(C)CO ZINC000451259934 202388921 /nfs/dbraw/zinc/38/89/21/202388921.db2.gz YREOTOWEHIBDPH-LLVKDONJSA-N 0 3 217.309 0.277 20 0 BCADHN CC1(C)CCCN(C(=O)C(=O)NCCN)CC1 ZINC000087647513 359922223 /nfs/dbraw/zinc/92/22/23/359922223.db2.gz VZULVTRYDUUKAJ-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN CCOC(=O)[C@](C)(O)CN(C)CC(C)(C)CO ZINC000451254511 202390211 /nfs/dbraw/zinc/39/02/11/202390211.db2.gz PCMZCXAFRAQKQN-GFCCVEGCSA-N 0 3 247.335 0.251 20 0 BCADHN CCCOc1cccc(CNC(CO)CO)c1 ZINC000087749465 359925493 /nfs/dbraw/zinc/92/54/93/359925493.db2.gz OONCZHNNPBLXQG-UHFFFAOYSA-N 0 3 239.315 0.918 20 0 BCADHN NC1(C(=O)NCCOCC2CCC2)CCC1 ZINC000578751659 366637887 /nfs/dbraw/zinc/63/78/87/366637887.db2.gz PXCNCVZTLIFCTJ-UHFFFAOYSA-N 0 3 226.320 0.801 20 0 BCADHN O=C1N=NCN1C1CCN(CCCCO)CC1 ZINC000578761613 366641988 /nfs/dbraw/zinc/64/19/88/366641988.db2.gz KQWCNHGMUXJTPD-UHFFFAOYSA-N 0 3 240.307 0.393 20 0 BCADHN CN1CCC(CC(=O)N[C@H]2C[C@@H](O)C2)CC1 ZINC000612634871 359953310 /nfs/dbraw/zinc/95/33/10/359953310.db2.gz GLWASLKHWVQBTJ-PHIMTYICSA-N 0 3 226.320 0.358 20 0 BCADHN CC(C)[C@@H](NC(=O)[C@H](C)N)c1ncc[nH]1 ZINC000578887813 366668981 /nfs/dbraw/zinc/66/89/81/366668981.db2.gz LISHYSVHRLQPMH-JGVFFNPUSA-N 0 3 210.281 0.570 20 0 BCADHN CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCOC1 ZINC000119928561 359986378 /nfs/dbraw/zinc/98/63/78/359986378.db2.gz JNMBEAXLTLYVGS-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](C(=O)N1CC(O)C1)N1[C@H](C)CC[C@@H]1C ZINC000089512248 360025293 /nfs/dbraw/zinc/02/52/93/360025293.db2.gz VDCHBFOQWMNRGR-AEJSXWLSSA-N 0 3 226.320 0.451 20 0 BCADHN CCCN(CCN1CCCC1)CC(=O)N(C)C ZINC000089886642 360047116 /nfs/dbraw/zinc/04/71/16/360047116.db2.gz MMSIKWHNGMFEIT-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CC(C)n1nccc1CNC[C@](C)(O)CO ZINC000309328904 491147089 /nfs/dbraw/zinc/14/70/89/491147089.db2.gz HFRCIIMXCHMOLJ-NSHDSACASA-N 0 3 227.308 0.297 20 0 BCADHN Cc1nc2ccccn2c1CNC[C@@H](O)CO ZINC000090282338 360067939 /nfs/dbraw/zinc/06/79/39/360067939.db2.gz IXUGLOFOPBTSET-SNVBAGLBSA-N 0 3 235.287 0.086 20 0 BCADHN Cc1nc2ccccn2c1CNC[C@H](O)CO ZINC000090282337 360068208 /nfs/dbraw/zinc/06/82/08/360068208.db2.gz IXUGLOFOPBTSET-JTQLQIEISA-N 0 3 235.287 0.086 20 0 BCADHN O=C(c1ccccc1[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321561 360070011 /nfs/dbraw/zinc/07/00/11/360070011.db2.gz JBZPBSUAROYHQB-AOOOYVTPSA-N 0 3 232.283 0.684 20 0 BCADHN Cc1cc(CN[C@@H]2CN(C)C[C@@H]2C)ncn1 ZINC000309384669 491147813 /nfs/dbraw/zinc/14/78/13/491147813.db2.gz DVLJDUBULZYSFV-JOYOIKCWSA-N 0 3 220.320 0.825 20 0 BCADHN CCCN1CCCN(Cc2cnnn2C)CC1 ZINC000092659541 360187374 /nfs/dbraw/zinc/18/73/74/360187374.db2.gz KEFDGGVEKSVLPJ-UHFFFAOYSA-N 0 3 237.351 0.733 20 0 BCADHN NC(=O)CC[C@@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000092660255 360187884 /nfs/dbraw/zinc/18/78/84/360187884.db2.gz WSHSQQOLIAVRDI-JTQLQIEISA-N 0 3 236.319 0.887 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC[C@@]3(O)C[C@H]3C2)C1 ZINC000618761653 360191241 /nfs/dbraw/zinc/19/12/41/360191241.db2.gz ZCKNGPPNQQYUGY-NTZNESFSSA-N 0 3 238.331 0.312 20 0 BCADHN C[C@@H]1NCCN(C(=O)NCCOCCF)[C@H]1C ZINC000612936513 360193129 /nfs/dbraw/zinc/19/31/29/360193129.db2.gz XCRKOFBGBXRMTF-UWVGGRQHSA-N 0 3 247.314 0.364 20 0 BCADHN CCN1CCN(C(=O)C2(N(C)C)CC2)C[C@@H]1C ZINC000612954894 360213611 /nfs/dbraw/zinc/21/36/11/360213611.db2.gz WIUCAFABHPOEIR-NSHDSACASA-N 0 3 239.363 0.633 20 0 BCADHN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC000093344831 360235947 /nfs/dbraw/zinc/23/59/47/360235947.db2.gz MOYZULIIHLPXHA-MFKMUULPSA-N 0 3 248.326 0.988 20 0 BCADHN CN1CC2(C1)CCN(C(=O)CCc1c[nH]cn1)C2 ZINC000614035161 363712548 /nfs/dbraw/zinc/71/25/48/363712548.db2.gz STFHLKSVVFQLSX-UHFFFAOYSA-N 0 3 248.330 0.506 20 0 BCADHN CN1CC2(C1)CCN(C(=O)CCc1cnc[nH]1)C2 ZINC000614035161 363712554 /nfs/dbraw/zinc/71/25/54/363712554.db2.gz STFHLKSVVFQLSX-UHFFFAOYSA-N 0 3 248.330 0.506 20 0 BCADHN CN1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)C2 ZINC000614038819 363714177 /nfs/dbraw/zinc/71/41/77/363714177.db2.gz DLNBGIGEGDNHPB-LLVKDONJSA-N 0 3 237.347 0.245 20 0 BCADHN CCOC(=O)COCCN1CCCO[C@H](C)C1 ZINC000094805413 360320303 /nfs/dbraw/zinc/32/03/03/360320303.db2.gz INUAIOLPSUNRTM-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN C[C@@H]1CN([C@@H]2COC[C@H]2O)C[C@@H](C)S1 ZINC000306530434 360377634 /nfs/dbraw/zinc/37/76/34/360377634.db2.gz DLWNYZGEEKONHZ-ZYUZMQFOSA-N 0 3 217.334 0.572 20 0 BCADHN CN(C)C1(CNC(=O)N[C@H]2CCOC2)CCC1 ZINC000097929721 360384220 /nfs/dbraw/zinc/38/42/20/360384220.db2.gz XIVDSPGYILNQMY-JTQLQIEISA-N 0 3 241.335 0.559 20 0 BCADHN COC(=O)CCCC(=O)N[C@@H]1CCCN(C)C1 ZINC000613140196 360436105 /nfs/dbraw/zinc/43/61/05/360436105.db2.gz SKPIMCXVGMFIDN-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN C[C@@H](NCC(C)(C)S(C)(=O)=O)[C@@H]1CCCO1 ZINC000309426595 491149087 /nfs/dbraw/zinc/14/90/87/491149087.db2.gz LVQTYSZXQPXHRI-ZJUUUORDSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@H]1CSC[C@@H]1NCC1OCCO1 ZINC000306544070 360413306 /nfs/dbraw/zinc/41/33/06/360413306.db2.gz UDQNTXWNTMJPEG-YUMQZZPRSA-N 0 3 203.307 0.700 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCC(=O)Nc1ccccc1 ZINC000059751298 360422244 /nfs/dbraw/zinc/42/22/44/360422244.db2.gz ABAMWNMKCSAYNQ-GFCCVEGCSA-N 0 3 249.314 0.725 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N(C)C)CC2)[C@@H](C)CN1C ZINC000613190165 360500745 /nfs/dbraw/zinc/50/07/45/360500745.db2.gz DHBMIHBGSSSWJZ-MNOVXSKESA-N 0 3 239.363 0.632 20 0 BCADHN N[C@H](C(=O)N[C@H]1CCSC1)C1CCC1 ZINC000306575367 360465277 /nfs/dbraw/zinc/46/52/77/360465277.db2.gz JIAXFNUJLDLGHW-IUCAKERBSA-N 0 3 214.334 0.736 20 0 BCADHN CCC[C@@H](CCO)NC(=O)Cc1nc[nH]c1C ZINC000633830654 360543344 /nfs/dbraw/zinc/54/33/44/360543344.db2.gz NRACGQNEUBAFJC-JTQLQIEISA-N 0 3 239.319 0.928 20 0 BCADHN CCN(CC)CC(=O)N(C)CC1(C)COC1 ZINC000628670936 360600905 /nfs/dbraw/zinc/60/09/05/360600905.db2.gz ILLNHDVNTKKBAP-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN CC[C@H](C(=O)N(C)CC1(C)COC1)N(C)C ZINC000628673503 360602706 /nfs/dbraw/zinc/60/27/06/360602706.db2.gz LHLQQFAVNTUPHV-SNVBAGLBSA-N 0 3 228.336 0.822 20 0 BCADHN CN1CCC(C(=O)N2CC3(C2)CCCO3)CC1 ZINC000628788092 360652980 /nfs/dbraw/zinc/65/29/80/360652980.db2.gz OUUQYHIOGJDNNP-UHFFFAOYSA-N 0 3 238.331 0.720 20 0 BCADHN NC(=O)c1cccc(CNCCN2CCCC2)c1 ZINC000054127049 181303831 /nfs/dbraw/zinc/30/38/31/181303831.db2.gz MCZGAZIMDUPREF-UHFFFAOYSA-N 0 3 247.342 0.971 20 0 BCADHN O=c1ccc(CNC[C@@H](O)C(F)(F)F)c[nH]1 ZINC000631120158 360686732 /nfs/dbraw/zinc/68/67/32/360686732.db2.gz GUBWQMWGZUVPJG-SSDOTTSWSA-N 0 3 236.193 0.800 20 0 BCADHN CC[C@H](C(=O)NCC[C@@H](O)C(F)F)N(C)C ZINC000633999307 360720238 /nfs/dbraw/zinc/72/02/38/360720238.db2.gz MJIKOFGPUDUDSI-HTQZYQBOSA-N 0 3 238.278 0.459 20 0 BCADHN OC[C@H]1C[C@@H](NCc2cnc3n2CCC3)C1 ZINC000631197475 360710976 /nfs/dbraw/zinc/71/09/76/360710976.db2.gz BQUGYVIMTMVWSO-AOOOYVTPSA-N 0 3 221.304 0.690 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](CC)[C@H]1CCCO1 ZINC000152922534 360760470 /nfs/dbraw/zinc/76/04/70/360760470.db2.gz NAHWCPIYKSOLOR-KXUCPTDWSA-N 0 3 214.309 0.798 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)C1(C)CC1 ZINC000153036769 360762482 /nfs/dbraw/zinc/76/24/82/360762482.db2.gz NDIHHVMHFBJCTB-LLVKDONJSA-N 0 3 214.309 0.215 20 0 BCADHN O=C1CCC[C@H](CNCc2ccccn2)N1 ZINC000309547963 491151075 /nfs/dbraw/zinc/15/10/75/491151075.db2.gz CLIJKEZTFPICIO-LLVKDONJSA-N 0 3 219.288 0.840 20 0 BCADHN NCC(=O)NC[C@H](O)C1CCCCC1 ZINC000154410029 360797496 /nfs/dbraw/zinc/79/74/96/360797496.db2.gz ZCPADSFSIYUJKF-VIFPVBQESA-N 0 3 200.282 0.003 20 0 BCADHN CCOCCCCNC(=O)[C@@H](N)CCSC ZINC000153681876 360776137 /nfs/dbraw/zinc/77/61/37/360776137.db2.gz VLVKRZWVKNNQDJ-JTQLQIEISA-N 0 3 248.392 1.000 20 0 BCADHN COCC[C@@H](C)NC(=O)[C@]1(F)CCNC1 ZINC000154864373 360852058 /nfs/dbraw/zinc/85/20/58/360852058.db2.gz FOPUSHRMAALUNU-SCZZXKLOSA-N 0 3 218.272 0.229 20 0 BCADHN C/C=C\CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000629041592 360835075 /nfs/dbraw/zinc/83/50/75/360835075.db2.gz XUHUSGFNDFIJRE-OTDNITJGSA-N 0 3 223.320 0.069 20 0 BCADHN C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H](O)C2)C1 ZINC000629074192 360868293 /nfs/dbraw/zinc/86/82/93/360868293.db2.gz CHYBJUIFFROSIV-MXWKQRLJSA-N 0 3 226.320 0.215 20 0 BCADHN O[C@@H]1COC[C@@H]1NCc1cccc2nccn21 ZINC000631201811 360877062 /nfs/dbraw/zinc/87/70/62/360877062.db2.gz WWMAODHJMQYCQY-WDEREUQCSA-N 0 3 233.271 0.184 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629122992 360888476 /nfs/dbraw/zinc/88/84/76/360888476.db2.gz AFOXTUBEPMWDFM-CMPLNLGQSA-N 0 3 249.314 0.944 20 0 BCADHN C[C@H]1CC[C@H](N[C@@H]2COC[C@@H]2O)CS1 ZINC000631202098 360879888 /nfs/dbraw/zinc/87/98/88/360879888.db2.gz YFPGVBQASZWQJN-QEYWKRMJSA-N 0 3 217.334 0.620 20 0 BCADHN C[C@H](CO)CNC(=O)C1CCN(C)CC1 ZINC000448270139 200714061 /nfs/dbraw/zinc/71/40/61/200714061.db2.gz MMUWMUQFOFJHCR-VIFPVBQESA-N 0 3 214.309 0.073 20 0 BCADHN C=C/C(C)=C/CC(=O)NCCN1CC[C@@H](O)C1 ZINC000629171800 360918935 /nfs/dbraw/zinc/91/89/35/360918935.db2.gz IYRBGBTTZPAHCY-KBVBDRTLSA-N 0 3 238.331 0.692 20 0 BCADHN C[C@H]1CN(C(=O)[C@@]2(F)CCNC2)CCS1 ZINC000155701974 360911284 /nfs/dbraw/zinc/91/12/84/360911284.db2.gz VTRVDNDXRKVGHD-WCBMZHEXSA-N 0 3 232.324 0.652 20 0 BCADHN O=C(CCCC1CC1)NCCN1CC[C@@H](O)C1 ZINC000629167001 360917013 /nfs/dbraw/zinc/91/70/13/360917013.db2.gz BBCNODFTLYVFJV-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN CCN1CCN(CCn2cccn2)CC1 ZINC000064030377 360890652 /nfs/dbraw/zinc/89/06/52/360890652.db2.gz DVBUGGBMDIBPRE-UHFFFAOYSA-N 0 3 208.309 0.521 20 0 BCADHN CC[C@H](N[C@H]1CCNC1=O)[C@@H]1CCCO1 ZINC000248553368 325612015 /nfs/dbraw/zinc/61/20/15/325612015.db2.gz ANUSKXWDJAHWSF-GUBZILKMSA-N 0 3 212.293 0.422 20 0 BCADHN CS(=O)(=O)C1C[C@H]2CCCC[C@@H]2NC1=O ZINC000629180490 360928324 /nfs/dbraw/zinc/92/83/24/360928324.db2.gz 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242.363 0.851 20 0 BCADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@@H]1O ZINC000615079724 364462279 /nfs/dbraw/zinc/46/22/79/364462279.db2.gz XTSGAMHNEQSYGV-VWYCJHECSA-N 0 3 240.347 0.556 20 0 BCADHN CCN(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000630705150 364472359 /nfs/dbraw/zinc/47/23/59/364472359.db2.gz CQPNEHRFVPIRPN-UHFFFAOYSA-N 0 3 224.308 0.537 20 0 BCADHN C[C@@H](CNC(=O)c1cc2ncccn2n1)N(C)C ZINC000630715509 364492784 /nfs/dbraw/zinc/49/27/84/364492784.db2.gz GVSWWYRADWVOQM-VIFPVBQESA-N 0 3 247.302 0.409 20 0 BCADHN CC[C@@H](C(=O)N1Cc2c[nH]nc2C1)N(C)C ZINC000615131527 364509882 /nfs/dbraw/zinc/50/98/82/364509882.db2.gz WDUOXUCNQLCMAE-JTQLQIEISA-N 0 3 222.292 0.592 20 0 BCADHN COC(CN1CCN2CCCC[C@H]2C1)OC ZINC000246572578 364603121 /nfs/dbraw/zinc/60/31/21/364603121.db2.gz STAKWJINAZMQSU-NSHDSACASA-N 0 3 228.336 0.775 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)CCCF)C1 ZINC000615181778 364604915 /nfs/dbraw/zinc/60/49/15/364604915.db2.gz DDSKCEUPPUKDSI-UWVGGRQHSA-N 0 3 214.284 0.899 20 0 BCADHN CN1C[C@H]2CCN(C(=O)CCCF)[C@H]2C1 ZINC000615181820 364605100 /nfs/dbraw/zinc/60/51/00/364605100.db2.gz DDSKCEUPPUKDSI-ZJUUUORDSA-N 0 3 214.284 0.899 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@H](C)[C@H](C)OC ZINC000453364229 202751533 /nfs/dbraw/zinc/75/15/33/202751533.db2.gz RBMCHMYGTYPVCF-LMLFDSFASA-N 0 3 217.309 0.803 20 0 BCADHN CN(C)C1(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)CC1 ZINC000615184432 364612862 /nfs/dbraw/zinc/61/28/62/364612862.db2.gz HTEVNUADDAVBFZ-MNOVXSKESA-N 0 3 237.347 0.243 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)CCc3ccon3)[C@@H]2C1 ZINC000615184704 364612949 /nfs/dbraw/zinc/61/29/49/364612949.db2.gz UJGCFLUXRWMYGO-CMPLNLGQSA-N 0 3 249.314 0.770 20 0 BCADHN CCO[C@@H](C(=O)N[C@H](CO)CN(C)C)C(C)C ZINC000627275646 364674937 /nfs/dbraw/zinc/67/49/37/364674937.db2.gz OEFPUAJRMMCMMV-WDEREUQCSA-N 0 3 246.351 0.086 20 0 BCADHN CC(=O)C1(C(=O)N2CC[C@@H](N(C)C)[C@@H]2C)CC1 ZINC000615302923 364681806 /nfs/dbraw/zinc/68/18/06/364681806.db2.gz ORNMDWKZHCCNQV-GXSJLCMTSA-N 0 3 238.331 0.907 20 0 BCADHN COc1cc(CNC[C@H](C)CO)sn1 ZINC000399033880 364737760 /nfs/dbraw/zinc/73/77/60/364737760.db2.gz MAFYCYSOHMSLMY-ZETCQYMHSA-N 0 3 216.306 0.870 20 0 BCADHN C[C@@H](O)CC(C)(C)CNC(=O)CNC1CC1 ZINC000305270744 364693565 /nfs/dbraw/zinc/69/35/65/364693565.db2.gz XVKSEUDVAIBGNH-SECBINFHSA-N 0 3 228.336 0.652 20 0 BCADHN COCC[C@@H](CO)NCc1cc(OC)ns1 ZINC000399071852 364778825 /nfs/dbraw/zinc/77/88/25/364778825.db2.gz OVJDBLSVCQBRON-QMMMGPOBSA-N 0 3 246.332 0.639 20 0 BCADHN COC[C@H]1CCN(CCNC(=O)NC(C)C)C1 ZINC000573086597 364783451 /nfs/dbraw/zinc/78/34/51/364783451.db2.gz IPKIAYMPJSJVMY-NSHDSACASA-N 0 3 243.351 0.662 20 0 BCADHN C[C@H](NC[C@@H](O)CN(C)C)c1ccoc1 ZINC000167431693 364792625 /nfs/dbraw/zinc/79/26/25/364792625.db2.gz JJTJDBOWZOOTKT-GXSJLCMTSA-N 0 3 212.293 0.853 20 0 BCADHN CCN1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000573503206 364850030 /nfs/dbraw/zinc/85/00/30/364850030.db2.gz KSEWIZYDDCTKCT-GFCCVEGCSA-N 0 3 239.363 0.492 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCC[C@@H]2CCO)C1 ZINC000573576210 364867620 /nfs/dbraw/zinc/86/76/20/364867620.db2.gz IBRAOVTWUAVDDP-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN CN(C(=O)C(C)(C)CO)[C@H]1CCN(C2CC2)C1 ZINC000573697315 364883766 /nfs/dbraw/zinc/88/37/66/364883766.db2.gz RGFDDNUBKPNUDL-NSHDSACASA-N 0 3 240.347 0.700 20 0 BCADHN CN(C(=O)CN[C@H]1C[C@@H](O)C1(C)C)C1CC1 ZINC000168224649 364885428 /nfs/dbraw/zinc/88/54/28/364885428.db2.gz IGILSJLIAUFNLA-VHSXEESVSA-N 0 3 226.320 0.356 20 0 BCADHN CC(=O)NCCN(C)CCOC1CCC1 ZINC000573799399 364917836 /nfs/dbraw/zinc/91/78/36/364917836.db2.gz NUOVCMDFAZKTKG-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN C[C@@H]1NC(=O)N(CCN2C3CCC2CC3)C1=O ZINC000573686026 364892557 /nfs/dbraw/zinc/89/25/57/364892557.db2.gz RXBFKAGOTRXSKW-IDKOKCKLSA-N 0 3 237.303 0.554 20 0 BCADHN CCC[C@@H](C)[C@@H](CO)NCC(=O)N(C)C1CC1 ZINC000573687986 364893240 /nfs/dbraw/zinc/89/32/40/364893240.db2.gz GVJHQSQIKRTCOE-ZYHUDNBSSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@@]1(CO)CCCN([C@H]2COC[C@H]2O)C1 ZINC000573818317 364923604 /nfs/dbraw/zinc/92/36/04/364923604.db2.gz UOVDZZFLZAOKBB-XQQFMLRXSA-N 0 3 243.347 0.477 20 0 BCADHN [NH3+]CCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000237942096 181373778 /nfs/dbraw/zinc/37/37/78/181373778.db2.gz LOIKQOWPJFTKGM-UHFFFAOYSA-N 0 3 237.185 0.501 20 0 BCADHN [NH3+]CCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000237942096 181373780 /nfs/dbraw/zinc/37/37/80/181373780.db2.gz LOIKQOWPJFTKGM-UHFFFAOYSA-N 0 3 237.185 0.501 20 0 BCADHN CC(C)NC(=O)NCCN1CCC[C@H]1CO ZINC000573916603 364943524 /nfs/dbraw/zinc/94/35/24/364943524.db2.gz VYWKSNKRWNITHY-JTQLQIEISA-N 0 3 229.324 0.151 20 0 BCADHN O=C(CNC1CC1)N[C@H]1CCCc2c[nH]nc21 ZINC000573917764 364945128 /nfs/dbraw/zinc/94/51/28/364945128.db2.gz FVVPSVCSIBLTMB-JTQLQIEISA-N 0 3 234.303 0.655 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000573919638 364945367 /nfs/dbraw/zinc/94/53/67/364945367.db2.gz PTPALPUDQUDDHO-FTYKPCCVSA-N 0 3 240.347 0.473 20 0 BCADHN [NH3+]CCCC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000044260984 181377525 /nfs/dbraw/zinc/37/75/25/181377525.db2.gz AUQZPJRQVKCEEW-UHFFFAOYSA-N 0 3 247.295 0.238 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CNC(C)C ZINC000573982877 364959347 /nfs/dbraw/zinc/95/93/47/364959347.db2.gz GTCBMOWQJPTNPT-NXEZZACHSA-N 0 3 243.351 0.404 20 0 BCADHN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1cscn1 ZINC000574202208 365009117 /nfs/dbraw/zinc/00/91/17/365009117.db2.gz IZDRLLYFAYNXNK-SSDOTTSWSA-N 0 3 249.361 0.405 20 0 BCADHN CCN(C[C@H](C)OC)[C@H]1CCN(C)C1=O ZINC000361564474 169895515 /nfs/dbraw/zinc/89/55/15/169895515.db2.gz MITPOEZRNGERCK-UWVGGRQHSA-N 0 3 214.309 0.574 20 0 BCADHN Cc1ncc(CNC[C@H]2CCN(C)C(=O)C2)cn1 ZINC000574149043 364995320 /nfs/dbraw/zinc/99/53/20/364995320.db2.gz IGUAQRLSZQMGGS-NSHDSACASA-N 0 3 248.330 0.743 20 0 BCADHN Cn1cc(CNCCCN2CCC2)nn1 ZINC000574338944 365041046 /nfs/dbraw/zinc/04/10/46/365041046.db2.gz HNFHRUJRFISUCO-UHFFFAOYSA-N 0 3 209.297 0.001 20 0 BCADHN OC[C@H]1CCN(CCc2ccncc2)C[C@@H]1O ZINC000574368377 365045323 /nfs/dbraw/zinc/04/53/23/365045323.db2.gz KCZLMGRMVKEMKP-OLZOCXBDSA-N 0 3 236.315 0.299 20 0 BCADHN CCOC(=O)C(C)(C)NC(=O)CNC1CC1 ZINC000574444423 365063190 /nfs/dbraw/zinc/06/31/90/365063190.db2.gz XXYDKEZJHBNAQW-UHFFFAOYSA-N 0 3 228.292 0.196 20 0 BCADHN O=C1C[C@H](CNCc2cnccn2)CN1C1CC1 ZINC000574458808 365067805 /nfs/dbraw/zinc/06/78/05/365067805.db2.gz XINMXWHKQYBAFS-SNVBAGLBSA-N 0 3 246.314 0.577 20 0 BCADHN O=C1C[C@@H](CNCc2cnccn2)CN1C1CC1 ZINC000574458807 365068386 /nfs/dbraw/zinc/06/83/86/365068386.db2.gz XINMXWHKQYBAFS-JTQLQIEISA-N 0 3 246.314 0.577 20 0 BCADHN CCCNC(=O)CCCN(CC(N)=O)C(C)C ZINC000574463374 365069456 /nfs/dbraw/zinc/06/94/56/365069456.db2.gz SMNCHQMPKYOWLF-UHFFFAOYSA-N 0 3 243.351 0.489 20 0 BCADHN CC(C)NC(=O)NCCN1CCN(C)C[C@H]1C ZINC000574315816 365023331 /nfs/dbraw/zinc/02/33/31/365023331.db2.gz BZSWZMQHXOXQAB-LLVKDONJSA-N 0 3 242.367 0.330 20 0 BCADHN O[C@@H](CN[C@H]1CCc2n[nH]cc2C1)C(F)(F)F ZINC000574270846 365023862 /nfs/dbraw/zinc/02/38/62/365023862.db2.gz LBZUYFHHTKGJAW-CBAPKCEASA-N 0 3 249.236 0.780 20 0 BCADHN COc1cccn2c1nn(CCN(C)C)c2=O ZINC000574276605 365026268 /nfs/dbraw/zinc/02/62/68/365026268.db2.gz HNIQTYVFOIVLQU-UHFFFAOYSA-N 0 3 236.275 0.066 20 0 BCADHN Cn1cncc1CCCN1CCc2nn[nH]c2C1 ZINC000574288891 365031097 /nfs/dbraw/zinc/03/10/97/365031097.db2.gz XJIZUAMRDNCCIX-UHFFFAOYSA-N 0 3 246.318 0.529 20 0 BCADHN Cn1cncc1CCCN1CCc2n[nH]nc2C1 ZINC000574288891 365031102 /nfs/dbraw/zinc/03/11/02/365031102.db2.gz XJIZUAMRDNCCIX-UHFFFAOYSA-N 0 3 246.318 0.529 20 0 BCADHN CC[C@@H](CN(C)CCN1CCCC1=O)OC ZINC000574299755 365033598 /nfs/dbraw/zinc/03/35/98/365033598.db2.gz HRNIDWHZHVHFGN-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCOC[C@H](O)CN1CC[C@@H](OC(C)C)C1 ZINC000574316873 365034640 /nfs/dbraw/zinc/03/46/40/365034640.db2.gz MMMNFLVQYNDBCB-VXGBXAGGSA-N 0 3 231.336 0.883 20 0 BCADHN CC(C(=O)N1CCC[C@H](F)C1)S(C)(=O)=O ZINC000574527334 365083727 /nfs/dbraw/zinc/08/37/27/365083727.db2.gz XJSSFKPHGQCNRM-YUMQZZPRSA-N 0 3 237.296 0.380 20 0 BCADHN CC(C(=O)N1CCC[C@@H](F)C1)S(C)(=O)=O ZINC000574527332 365083821 /nfs/dbraw/zinc/08/38/21/365083821.db2.gz XJSSFKPHGQCNRM-JGVFFNPUSA-N 0 3 237.296 0.380 20 0 BCADHN Cn1nccc1CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000574557752 365089548 /nfs/dbraw/zinc/08/95/48/365089548.db2.gz DIDCQLAMTYWSLA-JTQLQIEISA-N 0 3 248.330 0.316 20 0 BCADHN CSCC[C@H](N)C(=O)N1CCNC(C)(C)C1 ZINC000574754618 365135918 /nfs/dbraw/zinc/13/59/18/365135918.db2.gz ICWYHKGDROKVKE-VIFPVBQESA-N 0 3 245.392 0.277 20 0 BCADHN CC[C@H](O)CNCc1cccc(CO)n1 ZINC000574757175 365136587 /nfs/dbraw/zinc/13/65/87/365136587.db2.gz RYMRAKSYPBTAAW-NSHDSACASA-N 0 3 210.277 0.434 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)ncn1 ZINC000574647269 365111994 /nfs/dbraw/zinc/11/19/94/365111994.db2.gz PCDJCRGIDXUXPQ-UWVGGRQHSA-N 0 3 234.303 0.607 20 0 BCADHN CN[C@H](C)C(=O)N[C@@H](c1ncc[nH]1)C(C)C ZINC000574650501 365112965 /nfs/dbraw/zinc/11/29/65/365112965.db2.gz BEECTLUAAIYYNS-RKDXNWHRSA-N 0 3 224.308 0.831 20 0 BCADHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(C)(C)O ZINC000574694381 365123960 /nfs/dbraw/zinc/12/39/60/365123960.db2.gz SJKWBUHMIANQDP-JTQLQIEISA-N 0 3 242.363 0.946 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)CNC1CC1 ZINC000575052941 365178845 /nfs/dbraw/zinc/17/88/45/365178845.db2.gz UTDNSWRCZSMPDI-JGVFFNPUSA-N 0 3 200.282 0.278 20 0 BCADHN C[C@H]1CCN(CC(=O)NCC2=CCOCC2)C1 ZINC000574769768 365140796 /nfs/dbraw/zinc/14/07/96/365140796.db2.gz BREKAXVKOAYCGZ-NSHDSACASA-N 0 3 238.331 0.791 20 0 BCADHN CC(C)N(C)CC(=O)N(C)CCCO ZINC000443006713 193009761 /nfs/dbraw/zinc/00/97/61/193009761.db2.gz YAHFPZRZDSATTQ-UHFFFAOYSA-N 0 3 202.298 0.167 20 0 BCADHN CCC[C@H](C)CN1CC[C@@H](S(N)(=O)=O)C1 ZINC000443850294 193030133 /nfs/dbraw/zinc/03/01/33/193030133.db2.gz FWHBXUALHYHNJB-VHSXEESVSA-N 0 3 234.365 0.785 20 0 BCADHN CC(C)[C@@H](SCCN(C)C)C(N)=O ZINC000157903255 193033978 /nfs/dbraw/zinc/03/39/78/193033978.db2.gz MOZQLQTUZFHBOE-MRVPVSSYSA-N 0 3 204.339 0.791 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@@](C)(C(=O)OC)C1 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/nfs/dbraw/zinc/24/94/72/365249472.db2.gz GMJVQXWEAJRZKI-UHFFFAOYSA-N 0 3 200.282 0.091 20 0 BCADHN Cc1cnc(CCCC(=O)NCCN(C)C)o1 ZINC000622274921 370816100 /nfs/dbraw/zinc/81/61/00/370816100.db2.gz GYNLGZUXXOUAOM-UHFFFAOYSA-N 0 3 239.319 0.984 20 0 BCADHN CN(CCNC(=O)c1coc(CN)c1)C1CC1 ZINC000444192178 193041192 /nfs/dbraw/zinc/04/11/92/193041192.db2.gz YFBSHGAULACCAW-UHFFFAOYSA-N 0 3 237.303 0.562 20 0 BCADHN CN(C)CCNC(=O)c1cc2n(n1)CCC2 ZINC000622274679 370815018 /nfs/dbraw/zinc/81/50/18/370815018.db2.gz VSVWMGNYIPHSGK-UHFFFAOYSA-N 0 3 222.292 0.121 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CO)C(C)(C)C ZINC000444364576 193045562 /nfs/dbraw/zinc/04/55/62/193045562.db2.gz LXOWVCODSPALNA-SNVBAGLBSA-N 0 3 230.352 0.851 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)c1ncn(C)n1 ZINC000444430838 193047209 /nfs/dbraw/zinc/04/72/09/193047209.db2.gz JVUXGUUTUPRWRO-SECBINFHSA-N 0 3 239.323 0.333 20 0 BCADHN CCCN(C)CC(=O)N1CC(C(C)(C)O)C1 ZINC000444566042 193050889 /nfs/dbraw/zinc/05/08/89/193050889.db2.gz 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CCCCN(CCCO)CC(=O)NC(C)C ZINC000182156120 366871115 /nfs/dbraw/zinc/87/11/15/366871115.db2.gz MSMSSFCFZXUOFB-UHFFFAOYSA-N 0 3 230.352 0.996 20 0 BCADHN CCNC(=O)NC(=O)CN1CCC[C@@H](C)[C@@H]1C ZINC000172864736 365384470 /nfs/dbraw/zinc/38/44/70/365384470.db2.gz AINVGWLAEOOWIP-ZJUUUORDSA-N 0 3 241.335 0.953 20 0 BCADHN C[C@@H]1CCCN(CC(=O)NC(N)=O)[C@@H]1C ZINC000172857669 365384621 /nfs/dbraw/zinc/38/46/21/365384621.db2.gz AJJKTMSZBFHMGC-HTQZYQBOSA-N 0 3 213.281 0.302 20 0 BCADHN CCOC[C@H](O)CNC1(CC(=O)OC)CC1 ZINC000575926273 365417869 /nfs/dbraw/zinc/41/78/69/365417869.db2.gz UUWVBXHWJXNDRG-SECBINFHSA-N 0 3 231.292 0.069 20 0 BCADHN CCn1cc(CN(C)C(=O)CNC2CC2)cn1 ZINC000575865329 365390657 /nfs/dbraw/zinc/39/06/57/365390657.db2.gz YNIGPOVTJLIFAK-UHFFFAOYSA-N 0 3 236.319 0.613 20 0 BCADHN CC[C@@H](N)C(=O)N1CCN(CC(C)C)C(=O)C1 ZINC000575986894 365435845 /nfs/dbraw/zinc/43/58/45/365435845.db2.gz XRWKNTJFYXDGMR-SNVBAGLBSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N2CCN[C@H](C)[C@@H]2C)CO1 ZINC000575986079 365436418 /nfs/dbraw/zinc/43/64/18/365436418.db2.gz NTCXLLLGJLONPC-ZNSHCXBVSA-N 0 3 241.335 0.556 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000576002406 365444187 /nfs/dbraw/zinc/44/41/87/365444187.db2.gz WUSLTEUSCIDMNJ-ZETCQYMHSA-N 0 3 249.270 0.678 20 0 BCADHN CC(C)CCCS(=O)(=O)C(C)C(N)=O ZINC000182440954 366902230 /nfs/dbraw/zinc/90/22/30/366902230.db2.gz OHKRMDAFWKKFPI-QMMMGPOBSA-N 0 3 221.322 0.711 20 0 BCADHN CC[C@@H](N)C(=O)N1CCN(CC)C(=O)C1(C)C ZINC000576109577 365489905 /nfs/dbraw/zinc/48/99/05/365489905.db2.gz XDJAZTRWWHYREE-SECBINFHSA-N 0 3 241.335 0.193 20 0 BCADHN CC(C)CCN[C@@]1(C(N)=O)CCOC1 ZINC000576118524 365492722 /nfs/dbraw/zinc/49/27/22/365492722.db2.gz OURNVCMGJAQNKU-JTQLQIEISA-N 0 3 200.282 0.267 20 0 BCADHN C[C@H]1CCN(CC(=O)NC[C@@H]2CCC[C@H]2O)C1 ZINC000576171186 365508849 /nfs/dbraw/zinc/50/88/49/365508849.db2.gz GLOXADXVOJUVIL-SDDRHHMPSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H](CNC(=O)c1cncn1C)N1CCCC1 ZINC000579646553 366924755 /nfs/dbraw/zinc/92/47/55/366924755.db2.gz XVABHJAHGPYUIE-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN CCc1ncc(NC(=O)CNC2CC2)cn1 ZINC000182674616 366930517 /nfs/dbraw/zinc/93/05/17/366930517.db2.gz HBXJOYDDSWBSOS-UHFFFAOYSA-N 0 3 220.276 0.730 20 0 BCADHN CN(CC1CC1)C(=O)CN[C@H]1C[C@H](O)C1(C)C ZINC000579727554 366993297 /nfs/dbraw/zinc/99/32/97/366993297.db2.gz PMKBMOSFSCPZTL-QWRGUYRKSA-N 0 3 240.347 0.604 20 0 BCADHN CC[C@H]1CN(C)CCN1CCCC(=O)NC ZINC000579728400 366994593 /nfs/dbraw/zinc/99/45/93/366994593.db2.gz KEAXBMDPNWFZNV-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN CC(C)(C)OC(=O)CCCNC1(C(N)=O)CC1 ZINC000183831383 367052007 /nfs/dbraw/zinc/05/20/07/367052007.db2.gz MFPNZXXERUQQCV-UHFFFAOYSA-N 0 3 242.319 0.716 20 0 BCADHN CC[C@H]1[C@H](C)CCN1CC(=O)N1CCOCC1 ZINC000185592704 367138328 /nfs/dbraw/zinc/13/83/28/367138328.db2.gz LOGBSMMSXKIWAM-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H]1[C@@H](C)CCN1CC(=O)NC(N)=O ZINC000185671537 367140843 /nfs/dbraw/zinc/14/08/43/367140843.db2.gz KIUAFTCAIPZQTA-JGVFFNPUSA-N 0 3 213.281 0.302 20 0 BCADHN NC(=O)CCN[C@H]1CCO[C@H]1c1ccccc1 ZINC000579947852 367096772 /nfs/dbraw/zinc/09/67/72/367096772.db2.gz HLLHVHKJYHJJOD-AAEUAGOBSA-N 0 3 234.299 0.982 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000579949282 367097521 /nfs/dbraw/zinc/09/75/21/367097521.db2.gz FNEZOMSZVZFGHK-VLEAKVRGSA-N 0 3 226.320 0.653 20 0 BCADHN CC[C@H]1CN(C)CCN1CCC(=O)N(C)C ZINC000579950433 367098438 /nfs/dbraw/zinc/09/84/38/367098438.db2.gz YZTJKSALEAZKRY-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN C[C@@H]1NCCN(C(=O)CCc2ccncn2)[C@H]1C ZINC000579954166 367100845 /nfs/dbraw/zinc/10/08/45/367100845.db2.gz HIVAOWFIKFPBHQ-QWRGUYRKSA-N 0 3 248.330 0.618 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)CCc1ccncn1 ZINC000579954167 367100896 /nfs/dbraw/zinc/10/08/96/367100896.db2.gz HIVAOWFIKFPBHQ-WDEREUQCSA-N 0 3 248.330 0.618 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ncccc1OC(F)F ZINC000580831996 367181113 /nfs/dbraw/zinc/18/11/13/367181113.db2.gz NSIYONDTXKXXSJ-NTSWFWBYSA-N 0 3 243.213 0.969 20 0 BCADHN COCCNCC(=O)NC1(COC)CCCC1 ZINC000580725447 367151619 /nfs/dbraw/zinc/15/16/19/367151619.db2.gz BQSXURGHYYTBPI-UHFFFAOYSA-N 0 3 244.335 0.298 20 0 BCADHN CNCC(=O)NCc1ccc(O)c(OC)c1 ZINC000193127651 367152427 /nfs/dbraw/zinc/15/24/27/367152427.db2.gz QGRNHCULPSAOSR-UHFFFAOYSA-N 0 3 224.260 0.236 20 0 BCADHN COC(=O)CC1(NC(=O)CNC(C)C)CCC1 ZINC000580785536 367166796 /nfs/dbraw/zinc/16/67/96/367166796.db2.gz FLEPJIRMQXOHHG-UHFFFAOYSA-N 0 3 242.319 0.586 20 0 BCADHN COc1ccc(CN(C)C)cc1NC(=O)CO ZINC000622304266 370832864 /nfs/dbraw/zinc/83/28/64/370832864.db2.gz BIYDMNDAHLLEEQ-UHFFFAOYSA-N 0 3 238.287 0.688 20 0 BCADHN CO[C@H](CN)C(=O)NCCC[C@@H]1CCCCO1 ZINC000580888101 367197699 /nfs/dbraw/zinc/19/76/99/367197699.db2.gz XQQCCOBTRUSDOT-WDEREUQCSA-N 0 3 244.335 0.426 20 0 BCADHN O=C(N[C@@H]1CCSC1)[C@H]1CCCCN1 ZINC000225488237 370859315 /nfs/dbraw/zinc/85/93/15/370859315.db2.gz PWGNTJKOYLSIJS-RKDXNWHRSA-N 0 3 214.334 0.750 20 0 BCADHN CC(=O)c1ccc(C(=O)N[C@H](C)CN)o1 ZINC000580893167 367200308 /nfs/dbraw/zinc/20/03/08/367200308.db2.gz XULSWZDUEPUAFC-ZCFIWIBFSA-N 0 3 210.233 0.559 20 0 BCADHN C[C@H](CNC[C@H]1CCCC[C@@H]1O)S(C)(=O)=O ZINC000580952875 367211902 /nfs/dbraw/zinc/21/19/02/367211902.db2.gz ZGAIGWJYOFFKLJ-MXWKQRLJSA-N 0 3 249.376 0.560 20 0 BCADHN CN1CCC[C@@H]1CC[N@H+](C)CC(=O)[O-] ZINC000581137430 367275029 /nfs/dbraw/zinc/27/50/29/367275029.db2.gz SGUQARYLJORXTK-SECBINFHSA-N 0 3 200.282 0.487 20 0 BCADHN CN1CCC[C@@H]1CC[N@@H+](C)CC(=O)[O-] ZINC000581137430 367275032 /nfs/dbraw/zinc/27/50/32/367275032.db2.gz SGUQARYLJORXTK-SECBINFHSA-N 0 3 200.282 0.487 20 0 BCADHN CN(CC[C@H]1CCC[N@@H+]1C)CC(=O)[O-] ZINC000581137430 367275034 /nfs/dbraw/zinc/27/50/34/367275034.db2.gz SGUQARYLJORXTK-SECBINFHSA-N 0 3 200.282 0.487 20 0 BCADHN CN(CC[C@H]1CCC[N@H+]1C)CC(=O)[O-] ZINC000581137430 367275038 /nfs/dbraw/zinc/27/50/38/367275038.db2.gz SGUQARYLJORXTK-SECBINFHSA-N 0 3 200.282 0.487 20 0 BCADHN CCCN(CC(=O)NC)C[C@@H]1CCCC[C@@H]1O ZINC000581169590 367280743 /nfs/dbraw/zinc/28/07/43/367280743.db2.gz BIBWKSWAYSMMCH-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](O)CCSc1nnnn1CCN(C)C ZINC000581071686 367252766 /nfs/dbraw/zinc/25/27/66/367252766.db2.gz OGGNQJLJRUZKEP-QMMMGPOBSA-N 0 3 245.352 0.098 20 0 BCADHN C[C@H]1CCN(CC(=O)N2C[C@H](O)C3(CC3)C2)C1 ZINC000581081302 367258398 /nfs/dbraw/zinc/25/83/98/367258398.db2.gz HTSZZSQTSNYTKP-QWRGUYRKSA-N 0 3 238.331 0.312 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](C)c1ccncc1OC ZINC000581321058 367346667 /nfs/dbraw/zinc/34/66/67/367346667.db2.gz WUKCIWPBZFPYGL-BDAKNGLRSA-N 0 3 237.303 0.875 20 0 BCADHN OCC(CO)NCCOc1ccc(Cl)cc1 ZINC000581202483 367291182 /nfs/dbraw/zinc/29/11/82/367291182.db2.gz XLBNHCCLKITOQE-UHFFFAOYSA-N 0 3 245.706 0.662 20 0 BCADHN CCN1CCN([C@@H](C)CNC(=O)N(C)C)CC1 ZINC000194450917 367294493 /nfs/dbraw/zinc/29/44/93/367294493.db2.gz RJABRRKQIDCRGR-NSHDSACASA-N 0 3 242.367 0.284 20 0 BCADHN CCN1CCN([C@H](C)CNC(=O)N(C)C)CC1 ZINC000194450930 367294911 /nfs/dbraw/zinc/29/49/11/367294911.db2.gz RJABRRKQIDCRGR-LLVKDONJSA-N 0 3 242.367 0.284 20 0 BCADHN C[C@H](CN[C@@H]1CCN(C)[C@H](C)C1)S(C)(=O)=O ZINC000381531713 367426110 /nfs/dbraw/zinc/42/61/10/367426110.db2.gz ZJTWUDYUPLZZHN-GMTAPVOTSA-N 0 3 248.392 0.492 20 0 BCADHN COc1cccc(C(=O)N[C@H](C)[C@H](C)[NH3+])c1[O-] ZINC000381412156 367398051 /nfs/dbraw/zinc/39/80/51/367398051.db2.gz YDASSSYOBDAIBK-JGVFFNPUSA-N 0 3 238.287 0.866 20 0 BCADHN Cc1n[nH]c(CCN[C@@H](C)c2ncc[nH]2)n1 ZINC000381482087 367416548 /nfs/dbraw/zinc/41/65/48/367416548.db2.gz SZLNKXPDTFDVCQ-ZETCQYMHSA-N 0 3 220.280 0.730 20 0 BCADHN Cc1nc(CCN[C@@H](C)c2ncc[nH]2)n[nH]1 ZINC000381482087 367416557 /nfs/dbraw/zinc/41/65/57/367416557.db2.gz SZLNKXPDTFDVCQ-ZETCQYMHSA-N 0 3 220.280 0.730 20 0 BCADHN CC(C)n1ccc(CNC(=O)[C@@H](C)N)n1 ZINC000381481619 367416593 /nfs/dbraw/zinc/41/65/93/367416593.db2.gz SWDVUXHHCSAUTA-MRVPVSSYSA-N 0 3 210.281 0.427 20 0 BCADHN CNCC(=O)NCc1ccn(C(C)C)n1 ZINC000381489208 367417581 /nfs/dbraw/zinc/41/75/81/367417581.db2.gz LTZVIZINCXDRLV-UHFFFAOYSA-N 0 3 210.281 0.300 20 0 BCADHN CC(=O)NCCN(C)C[C@H]1CCOC1 ZINC000581346401 367364622 /nfs/dbraw/zinc/36/46/22/367364622.db2.gz VGJHBHBZFKGKBA-SNVBAGLBSA-N 0 3 200.282 0.091 20 0 BCADHN CCN(CC(N)=O)C[C@H]1CCCC[C@@H]1O ZINC000581348775 367369520 /nfs/dbraw/zinc/36/95/20/367369520.db2.gz YWLVCENDYQKOEW-ZJUUUORDSA-N 0 3 214.309 0.345 20 0 BCADHN C[C@@H]1CCN(CCNCc2cnn(C)c2)C1 ZINC000381269084 367372112 /nfs/dbraw/zinc/37/21/12/367372112.db2.gz VBZROZLGLRQBDV-LLVKDONJSA-N 0 3 222.336 0.852 20 0 BCADHN COCC[C@@H]1CCCCN(C(=O)[C@@H](C)N)C1 ZINC000581428217 367466852 /nfs/dbraw/zinc/46/68/52/367466852.db2.gz PILJGZFOPXMJEB-MNOVXSKESA-N 0 3 228.336 0.999 20 0 BCADHN CCOCCNC(=O)CNC1(C2CC2)CC1 ZINC000381556524 367430110 /nfs/dbraw/zinc/43/01/10/367430110.db2.gz PENLYPXRUSFTRF-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN CC[C@@H](O)CC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000622347871 370862161 /nfs/dbraw/zinc/86/21/61/370862161.db2.gz YUJRDJQILOGQCM-NWDGAFQWSA-N 0 3 240.347 0.844 20 0 BCADHN CCn1cc([C@H](C)NC[C@@](C)(O)COC)cn1 ZINC000382562156 367539956 /nfs/dbraw/zinc/53/99/56/367539956.db2.gz LSIKLOMLKIOSGZ-CMPLNLGQSA-N 0 3 241.335 0.951 20 0 BCADHN OCCCCN1CCC[C@@H](N2CCOCC2)C1 ZINC000382692725 367553705 /nfs/dbraw/zinc/55/37/05/367553705.db2.gz BTXBPIYNSXMJKO-CYBMUJFWSA-N 0 3 242.363 0.556 20 0 BCADHN NC(=O)c1cccc(CN[C@@H]2CC[C@H]2O)c1 ZINC000382297006 367505730 /nfs/dbraw/zinc/50/57/30/367505730.db2.gz MLSTUKAWYGJIBR-GHMZBOCLSA-N 0 3 220.272 0.398 20 0 BCADHN CC(C)N1CC[C@H](NCC2(O)CCCC2)C1=O ZINC000581483745 367514649 /nfs/dbraw/zinc/51/46/49/367514649.db2.gz GBHGAJQNTODWHN-NSHDSACASA-N 0 3 240.347 0.890 20 0 BCADHN C[C@@H](NCc1ccc(C(N)=O)nc1)[C@H](C)O ZINC000581484052 367514763 /nfs/dbraw/zinc/51/47/63/367514763.db2.gz RPAFPFZXZRAWQV-SFYZADRCSA-N 0 3 223.276 0.039 20 0 BCADHN CC[C@@H](COC)NC(=O)[C@H](C)NC1CC1 ZINC000382952256 367571387 /nfs/dbraw/zinc/57/13/87/367571387.db2.gz LZSKMSCQJNNKBC-IUCAKERBSA-N 0 3 214.309 0.668 20 0 BCADHN CC(C)N1CCN(C(=O)[C@H](C)NC2CC2)CC1 ZINC000382977712 367578253 /nfs/dbraw/zinc/57/82/53/367578253.db2.gz SWCDEXBAGJMIPD-NSHDSACASA-N 0 3 239.363 0.680 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1ccc2nncn2c1 ZINC000581549523 367578994 /nfs/dbraw/zinc/57/89/94/367578994.db2.gz YGUVLSSIYPCPRY-MRVPVSSYSA-N 0 3 245.286 0.808 20 0 BCADHN C[C@@H](CCCO)NC(=O)[C@H](C)NC1CC1 ZINC000382989676 367581946 /nfs/dbraw/zinc/58/19/46/367581946.db2.gz XUAIQDKQNAXGFW-IUCAKERBSA-N 0 3 214.309 0.404 20 0 BCADHN CO[C@H](C)CNC(=O)[C@@H](C)NC1CC1 ZINC000382998170 367582580 /nfs/dbraw/zinc/58/25/80/367582580.db2.gz BDRJJIULNSLZFK-HTQZYQBOSA-N 0 3 200.282 0.278 20 0 BCADHN COC[C@@H](NC(=O)[C@@H](C)NC1CC1)C(C)C ZINC000382962338 367573872 /nfs/dbraw/zinc/57/38/72/367573872.db2.gz OYBCUTPVGHYCCR-MWLCHTKSSA-N 0 3 228.336 0.914 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000382974682 367576334 /nfs/dbraw/zinc/57/63/34/367576334.db2.gz SEAIPOPLFGQNEC-ZYHUDNBSSA-N 0 3 239.363 0.727 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@@H](C)NC2CC2)C1 ZINC000382974682 367576343 /nfs/dbraw/zinc/57/63/43/367576343.db2.gz SEAIPOPLFGQNEC-ZYHUDNBSSA-N 0 3 239.363 0.727 20 0 BCADHN Cc1noc(CCNC(=O)[C@H](C)NC2CC2)n1 ZINC000383118954 367598208 /nfs/dbraw/zinc/59/82/08/367598208.db2.gz GLDHYDJJRLXWJN-ZETCQYMHSA-N 0 3 238.291 0.177 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)Cc1cnn(C)c1 ZINC000383162979 367602332 /nfs/dbraw/zinc/60/23/32/367602332.db2.gz ODHATSXKAZYFDP-VIFPVBQESA-N 0 3 236.319 0.519 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCCn1ccnc1 ZINC000383189989 367605214 /nfs/dbraw/zinc/60/52/14/367605214.db2.gz UCJREXDLCFHYNT-SNVBAGLBSA-N 0 3 236.319 0.530 20 0 BCADHN CCNC(=O)CN(CC)C(=O)[C@H](C)NC1CC1 ZINC000383033505 367588253 /nfs/dbraw/zinc/58/82/53/367588253.db2.gz JHLPEEILTIWXKQ-VIFPVBQESA-N 0 3 241.335 0.112 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)c1cn(C)nc1C ZINC000581558260 367590464 /nfs/dbraw/zinc/59/04/64/367590464.db2.gz LIEMQOXSRBQJCD-CBAPKCEASA-N 0 3 224.308 0.514 20 0 BCADHN CSC[C@H](C)NC(=O)[C@H](C)NC1CC1 ZINC000383073589 367592945 /nfs/dbraw/zinc/59/29/45/367592945.db2.gz REMJEYXGNPAAAW-YUMQZZPRSA-N 0 3 216.350 0.995 20 0 BCADHN COCCN(C)C(=O)[C@H](C)NC1CC1 ZINC000383087082 367594342 /nfs/dbraw/zinc/59/43/42/367594342.db2.gz UYFVJSKBQKBPLZ-QMMMGPOBSA-N 0 3 200.282 0.232 20 0 BCADHN COC[C@H](C)N(C)C(=O)[C@H](C)NC1CC1 ZINC000383450431 367623197 /nfs/dbraw/zinc/62/31/97/367623197.db2.gz ZLQYQPSRXHVGSX-IUCAKERBSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H](CN1C[C@@H](O)[C@@H](O)C1)c1ccccc1 ZINC000384301792 367682734 /nfs/dbraw/zinc/68/27/34/367682734.db2.gz JDMIIDJXXGKHHI-RTXFEEFZSA-N 0 3 221.300 0.828 20 0 BCADHN COCCOCCN1CCC[C@@H](O)[C@H]1C ZINC000384838755 367739815 /nfs/dbraw/zinc/73/98/15/367739815.db2.gz IKGBMVYBWGFDCF-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000384919789 367756854 /nfs/dbraw/zinc/75/68/54/367756854.db2.gz QZKGXZABASTUBJ-AXTSPUMRSA-N 0 3 214.309 0.667 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000384971021 367767291 /nfs/dbraw/zinc/76/72/91/367767291.db2.gz YAYUBUFHIZXMCV-IVZWLZJFSA-N 0 3 214.309 0.620 20 0 BCADHN OCC1(CN2CC[C@@H](c3cccnc3)C2)COC1 ZINC000581723833 367786740 /nfs/dbraw/zinc/78/67/40/367786740.db2.gz ALRHHJOJNFBQHN-CYBMUJFWSA-N 0 3 248.326 0.880 20 0 BCADHN CC[C@@H]1[C@@H](CO)CCN1CC(=O)N(C)CC ZINC000385656520 367853542 /nfs/dbraw/zinc/85/35/42/367853542.db2.gz FVPIBYOYLVVAOV-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@@H](CO)[C@H]1C ZINC000385772504 367863498 /nfs/dbraw/zinc/86/34/98/367863498.db2.gz YXHQNYVNEGRIDD-AXFHLTTASA-N 0 3 228.336 0.604 20 0 BCADHN CCCNC(=O)CN1CC[C@@H](CO)[C@H]1CC ZINC000385815571 367866881 /nfs/dbraw/zinc/86/68/81/367866881.db2.gz QVUZEJJBNOYTRC-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN CCCCNC(=O)CN1CC[C@H](CO)[C@H]1CC ZINC000385863297 367871221 /nfs/dbraw/zinc/87/12/21/367871221.db2.gz HTRGASMMFZLWFC-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN O=C1NCCC[C@@H]1NCc1cccc2c[nH]nc21 ZINC000581766822 367820801 /nfs/dbraw/zinc/82/08/01/367820801.db2.gz ISBDRDDRYZQRHR-NSHDSACASA-N 0 3 244.298 0.931 20 0 BCADHN CC(=O)NCCN(C)C[C@H](O)C(C)C ZINC000566185998 326008554 /nfs/dbraw/zinc/00/85/54/326008554.db2.gz CUYZYZJBLIXSTC-JTQLQIEISA-N 0 3 202.298 0.071 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCC[C@H](C)O ZINC000581822759 367831299 /nfs/dbraw/zinc/83/12/99/367831299.db2.gz NQLCKWSNLQKJDX-IVZWLZJFSA-N 0 3 203.282 0.151 20 0 BCADHN CC[C@@H](C)C[C@H](NC(=O)CNC)C(=O)OC ZINC000581826293 367833389 /nfs/dbraw/zinc/83/33/89/367833389.db2.gz WZGWDCRBTLUXOY-BDAKNGLRSA-N 0 3 230.308 0.300 20 0 BCADHN Cn1nncc1CN[C@H](CO)C1CCCCC1 ZINC000386076577 367909741 /nfs/dbraw/zinc/90/97/41/367909741.db2.gz BGRVKHBUVVKBRH-GFCCVEGCSA-N 0 3 238.335 0.846 20 0 BCADHN CN1CCN(C(=O)C2CCCC2)[C@H](CN)C1 ZINC000087613494 367917248 /nfs/dbraw/zinc/91/72/48/367917248.db2.gz POBLXBCRXDUVTP-LLVKDONJSA-N 0 3 225.336 0.278 20 0 BCADHN CNC(=O)c1ccc(CN(C)CCC(N)=O)cc1 ZINC000012332142 367928007 /nfs/dbraw/zinc/92/80/07/367928007.db2.gz WVWMPWPPDCOWIG-UHFFFAOYSA-N 0 3 249.314 0.353 20 0 BCADHN CC(C)OCC[C@@H](O)CNC[C@@H](O)C(F)F ZINC000566232849 326019723 /nfs/dbraw/zinc/01/97/23/326019723.db2.gz VKLKBFHONUGXEN-RKDXNWHRSA-N 0 3 241.278 0.378 20 0 BCADHN CC[C@@H]1[C@H](CO)CCN1CC(=O)N(C)C ZINC000385942835 367888385 /nfs/dbraw/zinc/88/83/85/367888385.db2.gz WINLKKQCECLCPI-VHSXEESVSA-N 0 3 214.309 0.167 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N(CC(F)F)C1CC1 ZINC000386258526 367940978 /nfs/dbraw/zinc/94/09/78/367940978.db2.gz XOOAHBSLYUMGKE-SECBINFHSA-N 0 3 248.273 0.621 20 0 BCADHN O=C(C[C@H]1CNCCO1)N(CC(F)F)C1CC1 ZINC000386258528 367941358 /nfs/dbraw/zinc/94/13/58/367941358.db2.gz XOOAHBSLYUMGKE-VIFPVBQESA-N 0 3 248.273 0.621 20 0 BCADHN Cc1nnsc1CN[C@@H](C)[C@H](C)O ZINC000386905799 368034033 /nfs/dbraw/zinc/03/40/33/368034033.db2.gz MNXMSZTZBKPJPE-FSPLSTOPSA-N 0 3 201.295 0.705 20 0 BCADHN CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]1CO ZINC000581979204 368038053 /nfs/dbraw/zinc/03/80/53/368038053.db2.gz UPJHTHPIDAOGKN-WCQYABFASA-N 0 3 248.326 0.859 20 0 BCADHN O=C(CCCF)NC[C@@H]1CCCN1CCCO ZINC000615479988 368057223 /nfs/dbraw/zinc/05/72/23/368057223.db2.gz KTZFGFOCDZTMGJ-NSHDSACASA-N 0 3 246.326 0.699 20 0 BCADHN CN(CCNc1nnnn1C)Cc1ccccc1 ZINC000386690040 368009694 /nfs/dbraw/zinc/00/96/94/368009694.db2.gz KEVAFLXGAKTJTO-UHFFFAOYSA-N 0 3 246.318 0.176 20 0 BCADHN CCN(C)CCNC(=O)C[C@H](C)n1ccnc1 ZINC000566329071 326033919 /nfs/dbraw/zinc/03/39/19/326033919.db2.gz XHTBRKXYWJVKIU-NSHDSACASA-N 0 3 238.335 0.902 20 0 BCADHN CCC(C)(C)N[C@@H](C)C(=O)N1CCOCCN1 ZINC000615497083 368072871 /nfs/dbraw/zinc/07/28/71/368072871.db2.gz GTPZPMJEUCKVNC-JTQLQIEISA-N 0 3 243.351 0.517 20 0 BCADHN C[C@H](CNC(=O)C1CC(C)(O)C1)N(C)C ZINC000448677873 201600173 /nfs/dbraw/zinc/60/01/73/201600173.db2.gz PJAXDRHJDJUTDB-FKTRJACZSA-N 0 3 214.309 0.214 20 0 BCADHN COc1cc(CNC[C@H](C)O)sn1 ZINC000399339130 368160443 /nfs/dbraw/zinc/16/04/43/368160443.db2.gz YUIMVSNTQAJCRU-LURJTMIESA-N 0 3 202.279 0.622 20 0 BCADHN CN[C@H](CC(C)(C)C)C(=O)N[C@@H](C)C(N)=O ZINC000387446900 368194525 /nfs/dbraw/zinc/19/45/25/368194525.db2.gz LWAJBBHSQCAVHZ-JGVFFNPUSA-N 0 3 229.324 0.001 20 0 BCADHN CN1CCN(Cc2cn[nH]n2)CC1(C)C ZINC000566415477 326042014 /nfs/dbraw/zinc/04/20/14/326042014.db2.gz AKYLVEKCTUWLOB-UHFFFAOYSA-N 0 3 209.297 0.331 20 0 BCADHN Cn1cc(CCN2CCN(C)C(C)(C)C2)cn1 ZINC000582010944 368150986 /nfs/dbraw/zinc/15/09/86/368150986.db2.gz JQMMTLIABQIXIO-UHFFFAOYSA-N 0 3 236.363 0.989 20 0 BCADHN CNC(=O)NC(=O)CN(C)[C@H](C)C(C)(C)C ZINC000036744585 368267974 /nfs/dbraw/zinc/26/79/74/368267974.db2.gz LIJNEUMQUWNSSK-MRVPVSSYSA-N 0 3 229.324 0.808 20 0 BCADHN C[C@@H](CCCO)NC(=O)CN1CC[C@H](C)C1 ZINC000566442516 326047984 /nfs/dbraw/zinc/04/79/84/326047984.db2.gz SDHSFLOIXHPMRI-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN CCN1C[C@@H](NCC2(O)CCC2)CC1=O ZINC000566556057 326063669 /nfs/dbraw/zinc/06/36/69/326063669.db2.gz CDZPGBHHEITIRB-VIFPVBQESA-N 0 3 212.293 0.112 20 0 BCADHN C([C@H]1CCCOC1)N1CCc2nn[nH]c2C1 ZINC000566655591 326071874 /nfs/dbraw/zinc/07/18/74/326071874.db2.gz PYBMFXVDUITUFR-SECBINFHSA-N 0 3 222.292 0.589 20 0 BCADHN C([C@H]1CCCOC1)N1CCc2n[nH]nc2C1 ZINC000566655591 326071875 /nfs/dbraw/zinc/07/18/75/326071875.db2.gz PYBMFXVDUITUFR-SECBINFHSA-N 0 3 222.292 0.589 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000566673019 326072319 /nfs/dbraw/zinc/07/23/19/326072319.db2.gz HUOSERNTTNDPKM-LMLFDSFASA-N 0 3 224.304 0.407 20 0 BCADHN C[C@H](CNC(=O)[C@H]1COCCO1)N(C)C1CC1 ZINC000057709727 368499361 /nfs/dbraw/zinc/49/93/61/368499361.db2.gz WVMPQPAWXPBOAO-MWLCHTKSSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@@H](CNC(=O)c1ccc[nH]c1=O)N(C)C1CC1 ZINC000057711685 368499431 /nfs/dbraw/zinc/49/94/31/368499431.db2.gz ZDZUPXGLVDOWIZ-VIFPVBQESA-N 0 3 249.314 0.587 20 0 BCADHN CCCCN(C)[C@H](C)C(=O)NC(=O)NC ZINC000057832232 368500232 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HIMZIWIWPSNCES-LBPRGKRZSA-N 0 3 240.347 0.869 20 0 BCADHN CCN(CC)CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621151567 370124282 /nfs/dbraw/zinc/12/42/82/370124282.db2.gz DJJMQPQRUXBKAW-GFCCVEGCSA-N 0 3 241.379 0.785 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H]2CCOC2)CCN1 ZINC000621151836 370124601 /nfs/dbraw/zinc/12/46/01/370124601.db2.gz JIXXSAPSZIWEDK-WDEREUQCSA-N 0 3 226.320 0.479 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621151813 370124630 /nfs/dbraw/zinc/12/46/30/370124630.db2.gz JEXUFEONQJKOGY-QJPTWQEYSA-N 0 3 240.347 0.868 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000621151814 370124642 /nfs/dbraw/zinc/12/46/42/370124642.db2.gz JEXUFEONQJKOGY-SDDRHHMPSA-N 0 3 240.347 0.868 20 0 BCADHN CCCN(C)CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621153018 370125292 /nfs/dbraw/zinc/12/52/92/370125292.db2.gz JCMKNOFKDFBWIR-GFCCVEGCSA-N 0 3 241.379 0.785 20 0 BCADHN CC(C)[C@H]1CN(C(=O)CCCC(N)=O)CCN1 ZINC000621152431 370126003 /nfs/dbraw/zinc/12/60/03/370126003.db2.gz WTIYMBWJWGEKSD-SNVBAGLBSA-N 0 3 241.335 0.098 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)C[C@H]2CCOC2)CCN1 ZINC000621154374 370127406 /nfs/dbraw/zinc/12/74/06/370127406.db2.gz KQTADRQQKURBDM-NEPJUHHUSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2cccc(=O)[nH]2)CCN1 ZINC000621154124 370127441 /nfs/dbraw/zinc/12/74/41/370127441.db2.gz GMFRUOQKIJYNFT-LLVKDONJSA-N 0 3 249.314 0.857 20 0 BCADHN CC[C@@H](C(=O)N1CCN[C@H](C(C)C)C1)N(C)C ZINC000621155839 370128681 /nfs/dbraw/zinc/12/86/81/370128681.db2.gz MZSWCCZLCWUSTN-RYUDHWBXSA-N 0 3 241.379 0.783 20 0 BCADHN Cc1ccnc(C(=O)N2CCN[C@@H](C(C)C)C2)n1 ZINC000621158263 370130166 /nfs/dbraw/zinc/13/01/66/370130166.db2.gz LYQUVFZGPJYMAU-LLVKDONJSA-N 0 3 248.330 0.855 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2ncc[nH]2)CCN1 ZINC000621159262 370131222 /nfs/dbraw/zinc/13/12/22/370131222.db2.gz HDAIKIYZJYCJFD-VIFPVBQESA-N 0 3 222.292 0.480 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@](C)(O)C2CC2)CCN1 ZINC000621159978 370132896 /nfs/dbraw/zinc/13/28/96/370132896.db2.gz WSCMFCWAARUSQF-YPMHNXCESA-N 0 3 240.347 0.604 20 0 BCADHN Cc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)nn1 ZINC000621160695 370133005 /nfs/dbraw/zinc/13/30/05/370133005.db2.gz KHXBVEXATHMBJO-LBPRGKRZSA-N 0 3 248.330 0.855 20 0 BCADHN CC[C@H]1[C@@H](C)CCN1CCS(=O)(=O)NC ZINC000621281170 370212126 /nfs/dbraw/zinc/21/21/26/370212126.db2.gz TYONNHOEVWODPQ-UWVGGRQHSA-N 0 3 234.365 0.656 20 0 BCADHN O=c1ccccn1CCN1CCC[C@H](O)C1 ZINC000112090997 370217738 /nfs/dbraw/zinc/21/77/38/370217738.db2.gz ZTNBUUSPXGTHQQ-NSHDSACASA-N 0 3 222.288 0.305 20 0 BCADHN NC(=O)C[C@@H]1CCN(CCO[C@H]2CC2(F)F)C1 ZINC000621295654 370221915 /nfs/dbraw/zinc/22/19/15/370221915.db2.gz RXHSUKQBMVUNAW-IUCAKERBSA-N 0 3 248.273 0.608 20 0 BCADHN NC(=O)C[C@@H]1CCN(CCO[C@@H]2CC2(F)F)C1 ZINC000621295653 370221931 /nfs/dbraw/zinc/22/19/31/370221931.db2.gz RXHSUKQBMVUNAW-DTWKUNHWSA-N 0 3 248.273 0.608 20 0 BCADHN CNS(=O)(=O)CCN(C1CCC1)C1CCC1 ZINC000621297698 370224545 /nfs/dbraw/zinc/22/45/45/370224545.db2.gz XAMYGDHWDVNIML-UHFFFAOYSA-N 0 3 246.376 0.943 20 0 BCADHN COC[C@@](C)(O)CNCc1c(C)cnn1C ZINC000309631570 370236136 /nfs/dbraw/zinc/23/61/36/370236136.db2.gz HYHJJTLCTILTKN-NSHDSACASA-N 0 3 227.308 0.216 20 0 BCADHN CNS(=O)(=O)CCN1C[C@@H](C)C[C@@H]1C ZINC000621259341 370191765 /nfs/dbraw/zinc/19/17/65/370191765.db2.gz RXWVKZABLLJCHF-IUCAKERBSA-N 0 3 220.338 0.266 20 0 BCADHN CNS(=O)(=O)CCN1CCC[C@H]1C ZINC000621260481 370193811 /nfs/dbraw/zinc/19/38/11/370193811.db2.gz GEEFYESGYAKJEA-MRVPVSSYSA-N 0 3 206.311 0.020 20 0 BCADHN CC[C@@H]1CCN(CCS(=O)(=O)NC)C1 ZINC000621262065 370195078 /nfs/dbraw/zinc/19/50/78/370195078.db2.gz NFPMZNDPBGPBCC-SECBINFHSA-N 0 3 220.338 0.268 20 0 BCADHN CNS(=O)(=O)CCN1CC[C@H](C)[C@@H](C)C1 ZINC000621271655 370202148 /nfs/dbraw/zinc/20/21/48/370202148.db2.gz PJCRJAHMXXLQLP-UWVGGRQHSA-N 0 3 234.365 0.514 20 0 BCADHN CC[C@H]1CC[C@H](C)N1CCS(=O)(=O)NC ZINC000621272073 370204412 /nfs/dbraw/zinc/20/44/12/370204412.db2.gz BTMGHNRRBCSLND-UWVGGRQHSA-N 0 3 234.365 0.799 20 0 BCADHN CCN(C)C(=O)CN1CC(C)(C)CC[C@@H]1CO ZINC000621378058 370319887 /nfs/dbraw/zinc/31/98/87/370319887.db2.gz MPWFZEQAAFXAJC-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN Cc1nccnc1CN[C@H](C)[C@H](C)CO ZINC000621337696 370271394 /nfs/dbraw/zinc/27/13/94/370271394.db2.gz HABGRODQRHQZMD-RKDXNWHRSA-N 0 3 209.293 0.892 20 0 BCADHN CC1(C)CC[C@@H](CO)N(CCn2cncn2)C1 ZINC000621378785 370321848 /nfs/dbraw/zinc/32/18/48/370321848.db2.gz DHZYTNNRXPHIAN-NSHDSACASA-N 0 3 238.335 0.761 20 0 BCADHN Cc1nccnc1CN[C@@H]1CCC(=O)NC1(C)C ZINC000621352252 370287616 /nfs/dbraw/zinc/28/76/16/370287616.db2.gz USJTZQVSBWMEIT-LLVKDONJSA-N 0 3 248.330 0.932 20 0 BCADHN Cc1nccnc1CN[C@H]1CCC(=O)NC1(C)C ZINC000621352253 370287989 /nfs/dbraw/zinc/28/79/89/370287989.db2.gz USJTZQVSBWMEIT-NSHDSACASA-N 0 3 248.330 0.932 20 0 BCADHN CCOc1cncc(CN[C@H](CO)[C@@H](C)O)c1 ZINC000621361612 370295318 /nfs/dbraw/zinc/29/53/18/370295318.db2.gz DHXMKZCDHBTRGY-BXKDBHETSA-N 0 3 240.303 0.312 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@H](C)[C@H](CO)C1 ZINC000621361415 370295803 /nfs/dbraw/zinc/29/58/03/370295803.db2.gz ZQGWBZJZYNLFFM-RYUDHWBXSA-N 0 3 242.363 0.805 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1CO ZINC000621360705 370296273 /nfs/dbraw/zinc/29/62/73/370296273.db2.gz FVHHTWBTTYWPPX-VHSXEESVSA-N 0 3 214.309 0.025 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCC2)C[C@H]1CO ZINC000621364980 370298599 /nfs/dbraw/zinc/29/85/99/370298599.db2.gz OHKYXVRVGMJPHD-MNOVXSKESA-N 0 3 226.320 0.169 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](C)[C@H](CO)C1 ZINC000621365279 370300639 /nfs/dbraw/zinc/30/06/39/370300639.db2.gz TVBQPMSLZWDFOT-QWRGUYRKSA-N 0 3 228.336 0.415 20 0 BCADHN C[C@H]1CCN(CCN2CCCC2=O)C[C@@H]1CO ZINC000621365103 370300681 /nfs/dbraw/zinc/30/06/81/370300681.db2.gz QEPQVYZWELPAEK-NWDGAFQWSA-N 0 3 240.347 0.559 20 0 BCADHN CCOc1cncc(CNC[C@@H]2CCC(=O)N2)c1 ZINC000621370830 370306317 /nfs/dbraw/zinc/30/63/17/370306317.db2.gz SCWOVGYSUGGTME-NSHDSACASA-N 0 3 249.314 0.849 20 0 BCADHN C[C@@H]1CCN([C@H]2CCCN(C)C2=O)C[C@H]1CO ZINC000621372032 370309611 /nfs/dbraw/zinc/30/96/11/370309611.db2.gz NSWSTWAVDHBZMN-WOPDTQHZSA-N 0 3 240.347 0.558 20 0 BCADHN COCCNCC(=O)NCC[C@@H]1CC1(F)F ZINC000621671233 370422214 /nfs/dbraw/zinc/42/22/14/370422214.db2.gz LTAMOBYTBQRSIV-MRVPVSSYSA-N 0 3 236.262 0.384 20 0 BCADHN CC1CC(CNC(=O)CCOC2CNC2)C1 ZINC000621672880 370424202 /nfs/dbraw/zinc/42/42/02/370424202.db2.gz XILHUINNIBTBBT-UHFFFAOYSA-N 0 3 226.320 0.527 20 0 BCADHN CC1(OCC(=O)NCC[C@@H]2CC2(F)F)CNC1 ZINC000621674017 370425882 /nfs/dbraw/zinc/42/58/82/370425882.db2.gz LEZLEPGXNINMHH-MRVPVSSYSA-N 0 3 248.273 0.526 20 0 BCADHN COc1nc(C)cc(C)c1CN(C)C(=O)CN ZINC000621684929 370434772 /nfs/dbraw/zinc/43/47/72/370434772.db2.gz VWFBAAIJZWFBGV-UHFFFAOYSA-N 0 3 237.303 0.624 20 0 BCADHN Cn1cc(CCN2CCCOCC2)cn1 ZINC000077272746 370408610 /nfs/dbraw/zinc/40/86/10/370408610.db2.gz YBVXMBFXXPWRLK-UHFFFAOYSA-N 0 3 209.293 0.685 20 0 BCADHN CNCCN(C)S(=O)(=O)c1cnccc1C ZINC000568279543 326340357 /nfs/dbraw/zinc/34/03/57/326340357.db2.gz LUGHLGUUGFXTLN-UHFFFAOYSA-N 0 3 243.332 0.230 20 0 BCADHN COc1ccc(F)c(CNC(=O)[C@@H](C)N)c1 ZINC000621669386 370419220 /nfs/dbraw/zinc/41/92/20/370419220.db2.gz MYPXIEYJMWGPRN-SSDOTTSWSA-N 0 3 226.251 0.798 20 0 BCADHN CCOc1cncc(CN2CC[C@@H](C(N)=O)C2)c1 ZINC000621708999 370453477 /nfs/dbraw/zinc/45/34/77/370453477.db2.gz HVJNLCJZMYCEEW-LLVKDONJSA-N 0 3 249.314 0.788 20 0 BCADHN Cc1nc(C)c(C(=O)NCCN(C)C2CC2)[nH]1 ZINC000621722329 370473929 /nfs/dbraw/zinc/47/39/29/370473929.db2.gz SEWKOOAWIRXDJE-UHFFFAOYSA-N 0 3 236.319 0.851 20 0 BCADHN Cc1nccnc1CN1CC[C@@H](C)[C@@H]1CO ZINC000621724199 370475404 /nfs/dbraw/zinc/47/54/04/370475404.db2.gz BNZIZRHQFOTYSH-SKDRFNHKSA-N 0 3 221.304 0.988 20 0 BCADHN CCN(CC(=O)N(C)CC)C[C@H]1CCOC1 ZINC000621729901 370482853 /nfs/dbraw/zinc/48/28/53/370482853.db2.gz BGMZLSKKMCUXLF-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CC[C@H](F)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000568410274 326355487 /nfs/dbraw/zinc/35/54/87/326355487.db2.gz HGNVRJKBTWFYCK-GUBZILKMSA-N 0 3 204.289 0.341 20 0 BCADHN CN1CCN(C[C@@H]2CNCCO2)C(C)(C)C1 ZINC000621776754 370525369 /nfs/dbraw/zinc/52/53/69/370525369.db2.gz VQXWYTITPMDLPD-NSHDSACASA-N 0 3 227.352 0.001 20 0 BCADHN CC(C)(C(=O)NCCN1CCC1)c1cnc[nH]1 ZINC000621928649 370604536 /nfs/dbraw/zinc/60/45/36/370604536.db2.gz JEGIIIOCTKJFHX-UHFFFAOYSA-N 0 3 236.319 0.509 20 0 BCADHN O=c1ccc(CN[C@@H]2CCCCNC2=O)c[nH]1 ZINC000631038827 370993374 /nfs/dbraw/zinc/99/33/74/370993374.db2.gz NFQKASZAAQACGM-SNVBAGLBSA-N 0 3 235.287 0.546 20 0 BCADHN COC[C@](C)(O)CNCc1cccc(O)c1 ZINC000069912575 370993765 /nfs/dbraw/zinc/99/37/65/370993765.db2.gz NIAGCNPUVCGUDZ-GFCCVEGCSA-N 0 3 225.288 0.879 20 0 BCADHN COC[C@@](C)(O)CNCc1cccc(O)c1 ZINC000069912577 370993791 /nfs/dbraw/zinc/99/37/91/370993791.db2.gz NIAGCNPUVCGUDZ-LBPRGKRZSA-N 0 3 225.288 0.879 20 0 BCADHN CC[C@H](O)CC(=O)N[C@@H](C)CN(C)C ZINC000622600105 371010895 /nfs/dbraw/zinc/01/08/95/371010895.db2.gz LREOISAOZCGLOF-IUCAKERBSA-N 0 3 202.298 0.214 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(C(C)C)C1 ZINC000261305961 371052337 /nfs/dbraw/zinc/05/23/37/371052337.db2.gz UDOLMXSOOLWWRR-SNVBAGLBSA-N 0 3 201.266 0.659 20 0 BCADHN C[C@@H](CNc1nc(N)nc(N)n1)c1ccccc1 ZINC000623800480 371099606 /nfs/dbraw/zinc/09/96/06/371099606.db2.gz LMXPSWAOANGRTQ-QMMMGPOBSA-N 0 3 244.302 0.334 20 0 BCADHN CC(C(=O)N1CC(C(C)(C)C)C1)S(C)(=O)=O ZINC000622684695 371062144 /nfs/dbraw/zinc/06/21/44/371062144.db2.gz PNBKDLYDTAEMNH-MRVPVSSYSA-N 0 3 247.360 0.924 20 0 BCADHN CCCN(C)CC(=O)NCCc1cn(C)cn1 ZINC000622685740 371062857 /nfs/dbraw/zinc/06/28/57/371062857.db2.gz IQJPFYHMOJHNFA-UHFFFAOYSA-N 0 3 238.335 0.421 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H]2CCS(=O)(=O)[C@@H]2C)CO1 ZINC000623720538 371068677 /nfs/dbraw/zinc/06/86/77/371068677.db2.gz MZZSPYAKKXEXEN-LMLFDSFASA-N 0 3 247.360 0.719 20 0 BCADHN O[C@H]1C[C@@H](CNCc2cnn3c2CCC3)C1 ZINC000623748744 371079357 /nfs/dbraw/zinc/07/93/57/371079357.db2.gz GAXMTIQSBLOSPJ-JGZJWPJOSA-N 0 3 221.304 0.690 20 0 BCADHN CCCCN(CC)c1nc(N)nc(N)n1 ZINC000623792556 371097215 /nfs/dbraw/zinc/09/72/15/371097215.db2.gz WXNDLFSUCVCLDT-UHFFFAOYSA-N 0 3 210.285 0.323 20 0 BCADHN O=C(c1n[nH]c2ccccc21)N1CCCNCC1 ZINC000019407448 371140254 /nfs/dbraw/zinc/14/02/54/371140254.db2.gz UGOUREFRUCCOJZ-UHFFFAOYSA-N 0 3 244.298 0.998 20 0 BCADHN Nc1nc(N)nc(N[C@H]2C[C@H]2c2ccccc2)n1 ZINC000623890475 371141382 /nfs/dbraw/zinc/14/13/82/371141382.db2.gz NDTJDXQIQILMFW-IUCAKERBSA-N 0 3 242.286 0.087 20 0 BCADHN CC(C)CC[C@@H](C)Nc1nc(N)nc(N)n1 ZINC000623889107 371141396 /nfs/dbraw/zinc/14/13/96/371141396.db2.gz CUDMPCZADJJWET-SSDOTTSWSA-N 0 3 224.312 0.355 20 0 BCADHN CC1(Nc2nc(N)nc(N)n2)CCCC1 ZINC000623893254 371142606 /nfs/dbraw/zinc/14/26/06/371142606.db2.gz KGQVNIMBJQDQJA-UHFFFAOYSA-N 0 3 208.269 0.441 20 0 BCADHN COc1ncncc1CNC[C@H]1C[C@@H](OC)C1 ZINC000623823609 371111479 /nfs/dbraw/zinc/11/14/79/371111479.db2.gz CGCGICJNDLIHCY-JGZJWPJOSA-N 0 3 237.303 1.000 20 0 BCADHN CNC(=O)CCNCc1ccc(=O)[nH]c1 ZINC000631052281 371117919 /nfs/dbraw/zinc/11/79/19/371117919.db2.gz NWBOLECFKXRRRG-UHFFFAOYSA-N 0 3 209.249 0.013 20 0 BCADHN CCn1cncc1CNCCN1CC[C@H](O)C1 ZINC000623838015 371121307 /nfs/dbraw/zinc/12/13/07/371121307.db2.gz CURQPSFQTJCTAB-LBPRGKRZSA-N 0 3 238.335 0.059 20 0 BCADHN Cc1cn[nH]c1CN[C@H]1CCN(C2CCC2)C1=O ZINC000623842085 371123678 /nfs/dbraw/zinc/12/36/78/371123678.db2.gz DMUGFBTVBPMQNI-NSHDSACASA-N 0 3 248.330 0.961 20 0 BCADHN Cc1cccc(CCNc2nc(N)nc(N)n2)c1 ZINC000623913412 371152887 /nfs/dbraw/zinc/15/28/87/371152887.db2.gz OVTLOHJFKUOFIY-UHFFFAOYSA-N 0 3 244.302 0.082 20 0 BCADHN C[C@H]1CC[C@H](Nc2nc(N)nc(N)n2)CC1 ZINC000623955973 371196016 /nfs/dbraw/zinc/19/60/16/371196016.db2.gz PWOGOWPIHMGKLN-LJGSYFOKSA-N 0 3 222.296 0.109 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(CC)CCCO ZINC000124547717 371196158 /nfs/dbraw/zinc/19/61/58/371196158.db2.gz WHJRKDUWNIVIKX-SNVBAGLBSA-N 0 3 233.308 0.005 20 0 BCADHN CS[C@@H](C)CNC(=O)[C@@H]1NCC1(C)C ZINC000389854123 371177940 /nfs/dbraw/zinc/17/79/40/371177940.db2.gz ACOIJAXFINDLTP-YUMQZZPRSA-N 0 3 216.350 0.852 20 0 BCADHN C[C@@H]1CCCCCN1c1nc(N)nc(N)n1 ZINC000623971747 371207965 /nfs/dbraw/zinc/20/79/65/371207965.db2.gz FUJHDWPXSSWBBI-SSDOTTSWSA-N 0 3 222.296 0.466 20 0 BCADHN COc1nc(C(=O)NC[C@H](C)N(C)C)co1 ZINC000623975817 371210300 /nfs/dbraw/zinc/21/03/00/371210300.db2.gz QMIADNLLNSLPHF-ZETCQYMHSA-N 0 3 227.264 0.363 20 0 BCADHN Nc1nc(N)nc(N(CC2CC2)CC2CC2)n1 ZINC000623975543 371210473 /nfs/dbraw/zinc/21/04/73/371210473.db2.gz IGPYRDPBUMUWSJ-UHFFFAOYSA-N 0 3 234.307 0.323 20 0 BCADHN C[C@@H](CNC(=O)c1cn(C2CC2)nn1)N(C)C ZINC000623975988 371210881 /nfs/dbraw/zinc/21/08/81/371210881.db2.gz VUXHWDNQEGKKTM-QMMMGPOBSA-N 0 3 237.307 0.293 20 0 BCADHN Cc1ccc(CCNc2nc(N)nc(N)n2)cc1 ZINC000623976608 371211654 /nfs/dbraw/zinc/21/16/54/371211654.db2.gz PPGNTTGJINSFLT-UHFFFAOYSA-N 0 3 244.302 0.082 20 0 BCADHN CC[C@@]1(NC[C@](C)(O)C(=O)OC)CCOC1 ZINC000390583851 371216786 /nfs/dbraw/zinc/21/67/86/371216786.db2.gz XNAMIPIIWMMPBI-WDEREUQCSA-N 0 3 231.292 0.069 20 0 BCADHN C[C@@H]1CCC[C@H](C)N(c2nc(N)nc(N)n2)C1 ZINC000623994180 371228377 /nfs/dbraw/zinc/22/83/77/371228377.db2.gz QTWFWDHJRFODJM-SFYZADRCSA-N 0 3 236.323 0.712 20 0 BCADHN C[C@@H]1[C@@H](C)CCCN1c1nc(N)nc(N)n1 ZINC000623992390 371225919 /nfs/dbraw/zinc/22/59/19/371225919.db2.gz MPJVWDYCIYFMSK-NKWVEPMBSA-N 0 3 222.296 0.322 20 0 BCADHN CC[C@]1(C)CCN(c2nc(N)nc(N)n2)C1 ZINC000624033386 371261070 /nfs/dbraw/zinc/26/10/70/371261070.db2.gz DKHDUUJERKINRU-SNVBAGLBSA-N 0 3 222.296 0.323 20 0 BCADHN CC[C@H]1C[C@H](C)CN1c1nc(N)nc(N)n1 ZINC000624011766 371248476 /nfs/dbraw/zinc/24/84/76/371248476.db2.gz IQIXUIIKFORELT-BQBZGAKWSA-N 0 3 222.296 0.322 20 0 BCADHN CC[C@@H]1CCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624032365 371261441 /nfs/dbraw/zinc/26/14/41/371261441.db2.gz IIJSLUWFOJGYSV-RQJHMYQMSA-N 0 3 222.296 0.109 20 0 BCADHN C[C@@H](N[C@H]1CCNC1=O)[C@H]1CCCCO1 ZINC000624016752 371251766 /nfs/dbraw/zinc/25/17/66/371251766.db2.gz DYORJFISBRGRLC-KXUCPTDWSA-N 0 3 212.293 0.422 20 0 BCADHN 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INTBLKYWIHKNQP-FXPVBKGRSA-N 0 3 245.344 0.868 20 0 BCADHN O=C(NCCOCC1CC1)[C@H]1CCCCN1 ZINC000225400184 182196718 /nfs/dbraw/zinc/19/67/18/182196718.db2.gz JZUOVMOVTFYDHN-LLVKDONJSA-N 0 3 226.320 0.671 20 0 BCADHN CO[C@H](C)[C@@H](C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000634142929 373972151 /nfs/dbraw/zinc/97/21/51/373972151.db2.gz MUFCCBLLKLHCNW-GMTAPVOTSA-N 0 3 243.351 0.803 20 0 BCADHN CCCCN(C)CCNC(=O)[C@@]1(N)CC1(F)F ZINC000634269642 374083530 /nfs/dbraw/zinc/08/35/30/374083530.db2.gz FWWYBXDKWPSMMN-JTQLQIEISA-N 0 3 249.305 0.571 20 0 BCADHN C[C@H](C(=O)NC1COC1)N1CCCCCC1 ZINC000634256058 374060774 /nfs/dbraw/zinc/06/07/74/374060774.db2.gz IUCGCTQWAWDTDF-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@]2(N)CC2(F)F)CCN1C ZINC000634270890 374085064 /nfs/dbraw/zinc/08/50/64/374085064.db2.gz SDVPJHXMRZXVPT-WEDXCCLWSA-N 0 3 247.289 0.322 20 0 BCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc[nH]1 ZINC000362983363 182227883 /nfs/dbraw/zinc/22/78/83/182227883.db2.gz 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238.262 0.544 20 0 BCADHN O=C(NCc1ccc2c(c1)CNC2)[C@@H]1CCOC1 ZINC000134523901 182251372 /nfs/dbraw/zinc/25/13/72/182251372.db2.gz QSHPSDSNVWASLW-GFCCVEGCSA-N 0 3 246.310 0.943 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCCNc1ccccn1 ZINC000424129169 206031666 /nfs/dbraw/zinc/03/16/66/206031666.db2.gz GEXADQIBRGUPNN-VHSXEESVSA-N 0 3 234.303 0.347 20 0 BCADHN C[C@H]1SCCN(C(=O)[C@@H]2C[C@@H]2N)[C@H]1C ZINC000424130594 206033802 /nfs/dbraw/zinc/03/38/02/206033802.db2.gz UAKTVZLPULRLDL-KDXUFGMBSA-N 0 3 214.334 0.686 20 0 BCADHN Cc1cc(CN)cc(NC(=O)N(C)CCO)c1 ZINC000424431324 206040971 /nfs/dbraw/zinc/04/09/71/206040971.db2.gz FNQZYEHYERGUCB-UHFFFAOYSA-N 0 3 237.303 0.910 20 0 BCADHN CN(C)CCN(C)C(=O)[C@]1(C)C[C@@H]1F ZINC000424700993 206045371 /nfs/dbraw/zinc/04/53/71/206045371.db2.gz GBSSHCNKTZPAGL-WCBMZHEXSA-N 0 3 202.273 0.755 20 0 BCADHN COCC(C)(C)CN1CC[C@@H](NC(N)=O)C1 ZINC000426417786 206049211 /nfs/dbraw/zinc/04/92/11/206049211.db2.gz CLTVEKPNGISJRL-SECBINFHSA-N 0 3 229.324 0.402 20 0 BCADHN O=C(N[C@@H]1CCOC1)N1CCN2CCC1CC2 ZINC000341369794 182303916 /nfs/dbraw/zinc/30/39/16/182303916.db2.gz PBQBDYCYYHVXCU-SNVBAGLBSA-N 0 3 239.319 0.265 20 0 BCADHN C[C@]12CCN(CCOCCO)C[C@H]1C2(F)F ZINC000428740416 206058693 /nfs/dbraw/zinc/05/86/93/206058693.db2.gz MDGGWNILAYACSY-ZJUUUORDSA-N 0 3 235.274 0.972 20 0 BCADHN CN(CCNC(=O)C(C)(C)N)CC(F)(F)F ZINC000430915497 206061874 /nfs/dbraw/zinc/06/18/74/206061874.db2.gz QHEQHHIGNWRJGG-UHFFFAOYSA-N 0 3 241.257 0.334 20 0 BCADHN CC1(C(=O)NC[C@@H](O)CN2CCCCC2)CC1 ZINC000434422262 206064499 /nfs/dbraw/zinc/06/44/99/206064499.db2.gz QIODCFZCKNECEB-LLVKDONJSA-N 0 3 240.347 0.750 20 0 BCADHN COc1cccc(CN[C@@H]2CC[C@H](C(N)=O)C2)n1 ZINC000449756994 206099896 /nfs/dbraw/zinc/09/98/96/206099896.db2.gz RVLGLMOCCFQSGC-VHSXEESVSA-N 0 3 249.314 0.834 20 0 BCADHN CCC[C@@]1(CO)CCN(C[C@](C)(O)C(C)=O)C1 ZINC000451035578 206106948 /nfs/dbraw/zinc/10/69/48/206106948.db2.gz GZUFXJBUIJQODA-QWHCGFSZSA-N 0 3 243.347 0.811 20 0 BCADHN O=C(N[C@H](CO)CN1CCCCC1)C1CCC1 ZINC000352865490 182324645 /nfs/dbraw/zinc/32/46/45/182324645.db2.gz FUEPFKUTWQUNPC-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)C1=CCOCC1 ZINC000354334972 182334479 /nfs/dbraw/zinc/33/44/79/182334479.db2.gz PCMAENNHAMWPTC-NSHDSACASA-N 0 3 236.315 0.686 20 0 BCADHN O=C(N[C@H]1CC[NH2+]C1)c1ccccc1[O-] ZINC000036286951 182336107 /nfs/dbraw/zinc/33/61/07/182336107.db2.gz IDBFBUJNRCSJTB-QMMMGPOBSA-N 0 3 206.245 0.484 20 0 BCADHN O=C(Nc1cc(F)cc(F)c1)[C@H]1C[C@@H](O)CN1 ZINC000020434394 182350458 /nfs/dbraw/zinc/35/04/58/182350458.db2.gz QHTCQRLIDLOHDA-NXEZZACHSA-N 0 3 242.225 0.626 20 0 BCADHN CC(C(=O)N1CCO[C@@H](C)[C@H]1C)S(C)(=O)=O ZINC000167396491 206144325 /nfs/dbraw/zinc/14/43/25/206144325.db2.gz QHVBBCJEZWQNSZ-HRDYMLBCSA-N 0 3 249.332 0.055 20 0 BCADHN O=C(Nc1ccc(F)c(F)c1)[C@H]1C[C@@H](O)CN1 ZINC000020434257 182355563 /nfs/dbraw/zinc/35/55/63/182355563.db2.gz CNMXCDRRXSPZFX-GMSGAONNSA-N 0 3 242.225 0.626 20 0 BCADHN CN(C)CC(C)(C)NCc1nc(N(C)C)no1 ZINC000459543072 206132513 /nfs/dbraw/zinc/13/25/13/206132513.db2.gz BMKZLDQTKHPCPR-UHFFFAOYSA-N 0 3 241.339 0.565 20 0 BCADHN Cc1cccc(CCN2C[C@H](CO)[C@H](O)C2)c1 ZINC000459700745 206137206 /nfs/dbraw/zinc/13/72/06/206137206.db2.gz KEJDFMLYUNHCAY-ZIAGYGMSSA-N 0 3 235.327 0.823 20 0 BCADHN O=C(Nc1ccc(O)cc1)[C@H]1C[C@@H](O)CN1 ZINC000037040534 182361049 /nfs/dbraw/zinc/36/10/49/182361049.db2.gz IAGULQLUOBMETR-NXEZZACHSA-N 0 3 222.244 0.054 20 0 BCADHN O=C(Nc1ccc2n[nH]cc2c1)[C@H]1C[C@@H](O)CN1 ZINC000037508756 182362419 /nfs/dbraw/zinc/36/24/19/182362419.db2.gz ZNNRYMBSKOSRBS-MWLCHTKSSA-N 0 3 246.270 0.224 20 0 BCADHN O=C(Nc1ccccc1F)[C@@H]1C[C@H](O)CN1 ZINC000020434326 182379011 /nfs/dbraw/zinc/37/90/11/182379011.db2.gz BZYIOXBEVHMQLU-XVKPBYJWSA-N 0 3 224.235 0.487 20 0 BCADHN O=C(Nc1ccccc1F)[C@H]1C[C@@H](O)CN1 ZINC000020434325 182379205 /nfs/dbraw/zinc/37/92/05/182379205.db2.gz BZYIOXBEVHMQLU-GMSGAONNSA-N 0 3 224.235 0.487 20 0 BCADHN O=C(Nc1cccc(F)c1F)[C@H]1C[C@H](O)CN1 ZINC000040231011 182370842 /nfs/dbraw/zinc/37/08/42/182370842.db2.gz LDPGQMLNJCCZRA-IMTBSYHQSA-N 0 3 242.225 0.626 20 0 BCADHN O=C(Nc1cccc2[nH]ccc21)[C@H]1C[C@@H](O)CN1 ZINC000238008894 182372180 /nfs/dbraw/zinc/37/21/80/182372180.db2.gz RVMTYLLFQXURNG-PRHODGIISA-N 0 3 245.282 0.829 20 0 BCADHN O=C(Nc1cnc2c(c1)CNCC2)[C@@H]1CCOC1 ZINC000367371485 182392681 /nfs/dbraw/zinc/39/26/81/182392681.db2.gz KWKLWGXKQOEELM-SECBINFHSA-N 0 3 247.298 0.702 20 0 BCADHN O=C(Nc1ccsc1)[C@H]1C[C@@H](O)CN1 ZINC000085535134 182390303 /nfs/dbraw/zinc/39/03/03/182390303.db2.gz ULVIVSSCBLKXAV-HTQZYQBOSA-N 0 3 212.274 0.409 20 0 BCADHN O=C(Nc1cn[nH]c1)C12CCCN1CCC2 ZINC000278749550 182390703 /nfs/dbraw/zinc/39/07/03/182390703.db2.gz VOFSXSNZTFVZJP-UHFFFAOYSA-N 0 3 220.276 0.977 20 0 BCADHN O=C(Nc1ccccc1[O-])[C@H]1CC[NH2+]C1 ZINC000070609716 182380545 /nfs/dbraw/zinc/38/05/45/182380545.db2.gz QVAPUTMIBIYMTM-QMMMGPOBSA-N 0 3 206.245 0.940 20 0 BCADHN O=C(Nc1ccccn1)c1n[nH]c2c1CNCC2 ZINC000082807034 182382814 /nfs/dbraw/zinc/38/28/14/182382814.db2.gz FIULNOFAWTZDSQ-UHFFFAOYSA-N 0 3 243.270 0.703 20 0 BCADHN O=C(Nc1cccnc1)C1CCN(CCO)CC1 ZINC000363847805 182382995 /nfs/dbraw/zinc/38/29/95/182382995.db2.gz SJAHHSZPQDCYRH-UHFFFAOYSA-N 0 3 249.314 0.724 20 0 BCADHN O=C(Nc1ncccc1[O-])[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364560762 182399019 /nfs/dbraw/zinc/39/90/19/182399019.db2.gz MBKZAKJNGVTDAZ-QPUJVOFHSA-N 0 3 233.271 0.725 20 0 BCADHN O=C(Nc1ncccc1[O-])C1CC[NH2+]CC1 ZINC000082259183 182399390 /nfs/dbraw/zinc/39/93/90/182399390.db2.gz RKGHQIUSXOHNDI-UHFFFAOYSA-N 0 3 221.260 0.725 20 0 BCADHN O=C(Nc1ncccc1[O-])[C@]1(F)CC[NH2+]C1 ZINC000125290337 182399679 /nfs/dbraw/zinc/39/96/79/182399679.db2.gz VJFLJIJQPQYDGO-JTQLQIEISA-N 0 3 225.223 0.427 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1CN(C)C[C@H]1C ZINC000309028264 170095907 /nfs/dbraw/zinc/09/59/07/170095907.db2.gz CBCCSDOVZXXACB-KXUCPTDWSA-N 0 3 213.325 0.051 20 0 BCADHN CCNC(=O)[C@H](NC[C@@H](C)OC)C(C)C ZINC000339319418 170098402 /nfs/dbraw/zinc/09/84/02/170098402.db2.gz GDWQNYFQPYPKQW-NXEZZACHSA-N 0 3 216.325 0.772 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)[C@@H](C)OC ZINC000191716128 259577660 /nfs/dbraw/zinc/57/76/60/259577660.db2.gz QRIRRECPWHJXLI-DJLDLDEBSA-N 0 3 245.323 0.234 20 0 BCADHN CCCCOCCCNC(=O)[C@@H](C)N ZINC000136312445 168894182 /nfs/dbraw/zinc/89/41/82/168894182.db2.gz ZTPSWZCDBARGOX-SECBINFHSA-N 0 3 202.298 0.657 20 0 BCADHN CCOC(=O)[C@@H](CC)N1CCCN(C)CC1 ZINC000082760968 170249921 /nfs/dbraw/zinc/24/99/21/170249921.db2.gz MLVYVFMFDRUWLA-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN O=C1NCC[C@H]1N[C@H]1CCc2ccccc2OC1 ZINC000337835285 182808040 /nfs/dbraw/zinc/80/80/40/182808040.db2.gz XKHHHGOOPHZFAP-NWDGAFQWSA-N 0 3 246.310 0.858 20 0 BCADHN OC1(CN2CC[C@](O)(C(F)(F)F)C2)CCC1 ZINC000336553989 183018971 /nfs/dbraw/zinc/01/89/71/183018971.db2.gz WDPUVPFINPENSI-SECBINFHSA-N 0 3 239.237 0.901 20 0 BCADHN OCCCC1CCN(CCn2cncn2)CC1 ZINC000330706153 183043829 /nfs/dbraw/zinc/04/38/29/183043829.db2.gz KXMCSESMPKGTAJ-UHFFFAOYSA-N 0 3 238.335 0.763 20 0 BCADHN OCC(CO)NCc1cccc2[nH]ccc21 ZINC000083690021 183034004 /nfs/dbraw/zinc/03/40/04/183034004.db2.gz CAKJFGSKVAMVOZ-UHFFFAOYSA-N 0 3 220.272 0.611 20 0 BCADHN OCC(CO)NCc1ccc(-n2cccn2)cc1 ZINC000087749457 183034126 /nfs/dbraw/zinc/03/41/26/183034126.db2.gz QGRQFWOPGRCDRH-UHFFFAOYSA-N 0 3 247.298 0.315 20 0 BCADHN OCC1(NCc2ccco2)CCOCC1 ZINC000227213559 183037699 /nfs/dbraw/zinc/03/76/99/183037699.db2.gz MDIFDKJYNUGGCB-UHFFFAOYSA-N 0 3 211.261 0.911 20 0 BCADHN OCC1(NCc2cccnc2)CCOCC1 ZINC000069248570 183038276 /nfs/dbraw/zinc/03/82/76/183038276.db2.gz SUTZLXKBXWUOEV-UHFFFAOYSA-N 0 3 222.288 0.713 20 0 BCADHN OCCN(CCO)[C@@H]1CCc2ccccc21 ZINC000177721105 183068741 /nfs/dbraw/zinc/06/87/41/183068741.db2.gz MEPHZCGKUXHGGE-CYBMUJFWSA-N 0 3 221.300 0.961 20 0 BCADHN OCCCN[C@@H](CO)c1cccc(F)c1 ZINC000308955705 183058927 /nfs/dbraw/zinc/05/89/27/183058927.db2.gz XCOFNBADIRMCNE-NSHDSACASA-N 0 3 213.252 0.831 20 0 BCADHN OCCCN[C@@]1(CO)CCOc2ccccc21 ZINC000281832239 183060428 /nfs/dbraw/zinc/06/04/28/183060428.db2.gz XVEKONFBNFBLHJ-CYBMUJFWSA-N 0 3 237.299 0.629 20 0 BCADHN OCCCN[C@]1(CO)CCOc2ccccc21 ZINC000281832243 183060716 /nfs/dbraw/zinc/06/07/16/183060716.db2.gz XVEKONFBNFBLHJ-ZDUSSCGKSA-N 0 3 237.299 0.629 20 0 BCADHN OCCN(C/C=C/c1ccccc1)CCO ZINC000050103204 183063834 /nfs/dbraw/zinc/06/38/34/183063834.db2.gz UGQJYJQCWDHQSH-QPJJXVBHSA-N 0 3 221.300 0.986 20 0 BCADHN OCCN(CCN1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000362237376 183066321 /nfs/dbraw/zinc/06/63/21/183066321.db2.gz IXSYQHDPKYMKFT-BETUJISGSA-N 0 3 240.347 0.306 20 0 BCADHN OCCN(CCO)CC[C@@H](O)c1ccccc1 ZINC000041164974 183066965 /nfs/dbraw/zinc/06/69/65/183066965.db2.gz LFVMCIQHKCCCCB-CYBMUJFWSA-N 0 3 239.315 0.397 20 0 BCADHN OCCN(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000119876912 183068037 /nfs/dbraw/zinc/06/80/37/183068037.db2.gz DVZMCXYFFPZITG-GHMZBOCLSA-N 0 3 231.361 0.965 20 0 BCADHN OCCN1CCCC[C@@H]1Cn1ccnn1 ZINC000369379888 183071880 /nfs/dbraw/zinc/07/18/80/183071880.db2.gz PRGCXTUOOXDMEE-SNVBAGLBSA-N 0 3 210.281 0.125 20 0 BCADHN OCCN1CCC[C@@H](c2ccncn2)C1 ZINC000072381307 183073873 /nfs/dbraw/zinc/07/38/73/183073873.db2.gz HMJTYFCTAVVUHW-SNVBAGLBSA-N 0 3 207.277 0.648 20 0 BCADHN OCCN1CCCN(c2ncc(F)cn2)CC1 ZINC000119419328 183074767 /nfs/dbraw/zinc/07/47/67/183074767.db2.gz IUQASDDYGDOUGE-UHFFFAOYSA-N 0 3 240.282 0.120 20 0 BCADHN OCCN1CC[C@](CO)(c2ccccc2)C1 ZINC000292003111 183077332 /nfs/dbraw/zinc/07/73/32/183077332.db2.gz XLKPRVXVASWXRR-ZDUSSCGKSA-N 0 3 221.300 0.615 20 0 BCADHN OCCN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000375962787 183077648 /nfs/dbraw/zinc/07/76/48/183077648.db2.gz PFTGKVDSNVFUCE-GFCCVEGCSA-N 0 3 225.263 0.711 20 0 BCADHN OCCOCCN1CCC[C@H]2OCC[C@H]21 ZINC000366452543 183084546 /nfs/dbraw/zinc/08/45/46/183084546.db2.gz BAUFLAWXNQLION-GHMZBOCLSA-N 0 3 215.293 0.249 20 0 BCADHN OCCOCCNCc1cccc2c1OCO2 ZINC000036168222 183085295 /nfs/dbraw/zinc/08/52/95/183085295.db2.gz VDHAXLPEPKZLHU-UHFFFAOYSA-N 0 3 239.271 0.514 20 0 BCADHN OCCOCCN[C@H](CO)c1ccsc1 ZINC000336739843 183085833 /nfs/dbraw/zinc/08/58/33/183085833.db2.gz SUKAPWYSIVQKQO-SNVBAGLBSA-N 0 3 231.317 0.380 20 0 BCADHN OCC[C@@H]1CCCCN1CCn1cncn1 ZINC000069249300 183092220 /nfs/dbraw/zinc/09/22/20/183092220.db2.gz NODQEBYNGBJMKR-NSHDSACASA-N 0 3 224.308 0.515 20 0 BCADHN OCC[C@@H]1CCCN1C[C@H](O)C(F)(F)F ZINC000336682268 183093775 /nfs/dbraw/zinc/09/37/75/183093775.db2.gz JIXXBKVSDHAGAK-YUMQZZPRSA-N 0 3 227.226 0.756 20 0 BCADHN OC[C@@H](O)CNCc1cc(Cl)cs1 ZINC000086333086 183111800 /nfs/dbraw/zinc/11/18/00/183111800.db2.gz QKOCIZVKAUXCNI-ZETCQYMHSA-N 0 3 221.709 0.844 20 0 BCADHN O=C1N=NC(CN2CCCC[C@@H](CO)C2)S1 ZINC000375361219 183116787 /nfs/dbraw/zinc/11/67/87/183116787.db2.gz LCLKAISFLHJQLM-MRVPVSSYSA-N 0 3 243.332 0.838 20 0 BCADHN CCCC[C@H](N)C(=O)NCCC(=O)NCCC ZINC000045088698 169006162 /nfs/dbraw/zinc/00/61/62/169006162.db2.gz WFWFYVPQBPGFDD-JTQLQIEISA-N 0 3 243.351 0.536 20 0 BCADHN CCCC[C@H](N)C(=O)NCC(=O)NCCC ZINC000037480633 169006556 /nfs/dbraw/zinc/00/65/56/169006556.db2.gz SCDYGIMPIFVDOI-VIFPVBQESA-N 0 3 229.324 0.146 20 0 BCADHN CCCC[C@H](N)C(=O)NCCC(=O)N(C)C ZINC000037751361 169006594 /nfs/dbraw/zinc/00/65/94/169006594.db2.gz QHQSIYNUMXERDT-VIFPVBQESA-N 0 3 229.324 0.098 20 0 BCADHN CCCC[C@H](N)C(=O)NCc1ncc[nH]1 ZINC000070646649 169007152 /nfs/dbraw/zinc/00/71/52/169007152.db2.gz PHSBDIHKORBMTN-QMMMGPOBSA-N 0 3 210.281 0.543 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@@H](C)c1nncn1C ZINC000037620134 169007728 /nfs/dbraw/zinc/00/77/28/169007728.db2.gz SAHMEDHAOUEYEV-IUCAKERBSA-N 0 3 239.323 0.510 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@H]1CCCO1 ZINC000037480494 169008170 /nfs/dbraw/zinc/00/81/70/169008170.db2.gz DZKAQHPNEZBWNH-ZJUUUORDSA-N 0 3 214.309 0.799 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@@H](C)COC ZINC000041679489 169008373 /nfs/dbraw/zinc/00/83/73/169008373.db2.gz YWNJIYIXYRMDKU-ZJUUUORDSA-N 0 3 216.325 0.903 20 0 BCADHN OC[C@@H](NCCn1cncn1)c1ccccc1 ZINC000272461556 183108425 /nfs/dbraw/zinc/10/84/25/183108425.db2.gz HFSQDKNYHQWDHJ-GFCCVEGCSA-N 0 3 232.287 0.601 20 0 BCADHN OC[C@@H](O)CNCc1cc(F)cc(F)c1 ZINC000083348832 183111067 /nfs/dbraw/zinc/11/10/67/183111067.db2.gz LPYZWMQRJMZVHR-JTQLQIEISA-N 0 3 217.215 0.408 20 0 BCADHN OC[C@@H](O)CNCc1cccc2cc[nH]c21 ZINC000083350414 183111247 /nfs/dbraw/zinc/11/12/47/183111247.db2.gz HDBVWYCQYPLEJN-NSHDSACASA-N 0 3 220.272 0.611 20 0 BCADHN OC[C@H]1[C@@H]2CN(CCc3ccccn3)C[C@H]12 ZINC000368325534 183132539 /nfs/dbraw/zinc/13/25/39/183132539.db2.gz AHEBBJCJVLWWJN-ITGUQSILSA-N 0 3 218.300 0.794 20 0 BCADHN OC[C@@]1(NCc2ccccc2)CCOC1 ZINC000070993278 183134547 /nfs/dbraw/zinc/13/45/47/183134547.db2.gz KFJWYXGRZUWWPY-LBPRGKRZSA-N 0 3 207.273 0.928 20 0 BCADHN OC[C@H](CN1CCCCC1)Nc1ncccn1 ZINC000346106861 183137135 /nfs/dbraw/zinc/13/71/35/183137135.db2.gz UJQFSKCSMXKICO-NSHDSACASA-N 0 3 236.319 0.735 20 0 BCADHN CCOC[C@H](C)NCC(=O)NCC1CC1 ZINC000044724257 170445138 /nfs/dbraw/zinc/44/51/38/170445138.db2.gz HHJYGEMMVDXJDH-VIFPVBQESA-N 0 3 214.309 0.527 20 0 BCADHN OC[C@H](NCCOC1CCC1)[C@H]1CCCO1 ZINC000309630750 183139761 /nfs/dbraw/zinc/13/97/61/183139761.db2.gz KHQLTAHRWFRZEF-NWDGAFQWSA-N 0 3 229.320 0.685 20 0 BCADHN OC[C@H](N[C@@H]1CCCOC1)[C@H]1CCCO1 ZINC000336733026 183140540 /nfs/dbraw/zinc/14/05/40/183140540.db2.gz LZGPUOLQUNHKLI-OUAUKWLOSA-N 0 3 215.293 0.295 20 0 BCADHN OC[C@H](O)CNCc1ccnn1-c1ccccc1 ZINC000279875086 183142213 /nfs/dbraw/zinc/14/22/13/183142213.db2.gz RDCFLHCBGTVODI-CYBMUJFWSA-N 0 3 247.298 0.315 20 0 BCADHN OC[C@H](O)CNCc1ccc2[nH]ccc2c1 ZINC000083350417 183143222 /nfs/dbraw/zinc/14/32/22/183143222.db2.gz BJLOHYSQYDHFBN-LLVKDONJSA-N 0 3 220.272 0.611 20 0 BCADHN OC[C@H](O)CNCc1cccc(Cl)c1 ZINC000078430315 183143248 /nfs/dbraw/zinc/14/32/48/183143248.db2.gz KWCIXHVKQVMOMY-SNVBAGLBSA-N 0 3 215.680 0.783 20 0 BCADHN OC[C@@H]1CC[C@H](CNCc2cc[nH]c2)O1 ZINC000292761151 183123664 /nfs/dbraw/zinc/12/36/64/183123664.db2.gz RZDUJFQJCCORFF-MNOVXSKESA-N 0 3 210.277 0.644 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1Cc1ccc2c(c1)CCO2 ZINC000364323214 183129814 /nfs/dbraw/zinc/12/98/14/183129814.db2.gz IRWISZLYRXMOMB-QWHCGFSZSA-N 0 3 249.310 0.549 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1Cc1cccc(O)c1 ZINC000187670037 183130425 /nfs/dbraw/zinc/13/04/25/183130425.db2.gz DRVGBQFJEGCBNG-JQWIXIFHSA-N 0 3 223.272 0.320 20 0 BCADHN OCc1ccc(CNCCn2ccnc2)o1 ZINC000077897957 183165569 /nfs/dbraw/zinc/16/55/69/183165569.db2.gz SOZRWIDCIXMDQN-UHFFFAOYSA-N 0 3 221.260 0.758 20 0 BCADHN OC[C@H]1C[C@H](O)CN1Cc1cccc(O)c1 ZINC000370394071 183156769 /nfs/dbraw/zinc/15/67/69/183156769.db2.gz DRVGBQFJEGCBNG-PWSUYJOCSA-N 0 3 223.272 0.320 20 0 BCADHN CCCN(C)C(=O)C(=O)NCCN(CC)CC ZINC000339574992 169049992 /nfs/dbraw/zinc/04/99/92/169049992.db2.gz DAGPBXKZIKWRPV-UHFFFAOYSA-N 0 3 243.351 0.313 20 0 BCADHN OCc1cn(CCCNCc2ccco2)nn1 ZINC000289850019 183169113 /nfs/dbraw/zinc/16/91/13/183169113.db2.gz NTAIHJAXQPCPCW-UHFFFAOYSA-N 0 3 236.275 0.543 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H](O)[C@@H](CC)C1 ZINC000340775891 169067463 /nfs/dbraw/zinc/06/74/63/169067463.db2.gz OTTGYYXRVSPIAN-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CCCN(C)CC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000356888862 169068154 /nfs/dbraw/zinc/06/81/54/169068154.db2.gz UZLHTDRCGHBLDC-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN CCCN(C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000372374345 169068467 /nfs/dbraw/zinc/06/84/67/169068467.db2.gz QWALHFHJHISSLV-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CCCN(C)CC(=O)N1CCN(C)C[C@H]1C ZINC000346217972 169068684 /nfs/dbraw/zinc/06/86/84/169068684.db2.gz IGBPVOBKXIXKHV-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@]2(CCOC2)C1 ZINC000362587016 169068866 /nfs/dbraw/zinc/06/88/66/169068866.db2.gz HGLPZSDZELDFHG-ZDUSSCGKSA-N 0 3 240.347 0.967 20 0 BCADHN O[C@@H]1CN([C@H]2C=CCCCCC2)C[C@H]1O ZINC000336697617 183208228 /nfs/dbraw/zinc/20/82/28/183208228.db2.gz PFHSLGFBGDSYDU-QJPTWQEYSA-N 0 3 211.305 0.913 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](C)C(=O)OC ZINC000355594533 169070361 /nfs/dbraw/zinc/07/03/61/169070361.db2.gz GLIBHLKLDUIAGV-SECBINFHSA-N 0 3 230.308 0.254 20 0 BCADHN CCCN(C)CC(=O)NCCC[C@@H](O)CC ZINC000352393452 169070921 /nfs/dbraw/zinc/07/09/21/169070921.db2.gz YKOZXNCJTDTJMD-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN CCCN(C)CC(=O)NCCCCOC ZINC000359332110 169071069 /nfs/dbraw/zinc/07/10/69/169071069.db2.gz NQDSTMHVXIJBTJ-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN O[C@@H]1COCCN(CC2CC(F)(F)C2)C1 ZINC000336260024 183208419 /nfs/dbraw/zinc/20/84/19/183208419.db2.gz PKVNJYCIHNYJEM-VIFPVBQESA-N 0 3 221.247 0.725 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)O ZINC000341920029 169072267 /nfs/dbraw/zinc/07/22/67/169072267.db2.gz FHFGJWWPQDZKAR-VHSXEESVSA-N 0 3 216.325 0.604 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CC)CCO ZINC000339435321 169072307 /nfs/dbraw/zinc/07/23/07/169072307.db2.gz BGSHYHIJSKDIBE-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN O[C@@H]1CC[C@@H]2CN(Cc3cn[nH]n3)C[C@H]2C1 ZINC000331489925 183202955 /nfs/dbraw/zinc/20/29/55/183202955.db2.gz MWKFKMOXZUNMEG-FXPVBKGRSA-N 0 3 222.292 0.398 20 0 BCADHN O[C@@H]1CC[C@@H]2CN(Cc3c[nH]nn3)C[C@H]2C1 ZINC000331489925 183202959 /nfs/dbraw/zinc/20/29/59/183202959.db2.gz MWKFKMOXZUNMEG-FXPVBKGRSA-N 0 3 222.292 0.398 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCCOC1 ZINC000356461024 169073264 /nfs/dbraw/zinc/07/32/64/169073264.db2.gz WACOFAMITIICEZ-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)COCCOC ZINC000359357293 169073318 /nfs/dbraw/zinc/07/33/18/169073318.db2.gz LMDZVXSKCCVRON-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000337105146 169073510 /nfs/dbraw/zinc/07/35/10/169073510.db2.gz HVVKVLOAYYUYGP-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN CCCN(C)CC(=O)NCc1cn(C)nc1C ZINC000331065126 169073976 /nfs/dbraw/zinc/07/39/76/169073976.db2.gz FHQFOJMWHGPFCY-UHFFFAOYSA-N 0 3 238.335 0.687 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000330467134 169073985 /nfs/dbraw/zinc/07/39/85/169073985.db2.gz IQDAEXJMMWISQA-HAQNSBGRSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CCO)CSC ZINC000342050827 169075283 /nfs/dbraw/zinc/07/52/83/169075283.db2.gz CRLPPIXASBNVPC-SNVBAGLBSA-N 0 3 248.392 0.558 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)COCCOC ZINC000359357289 169075322 /nfs/dbraw/zinc/07/53/22/169075322.db2.gz LMDZVXSKCCVRON-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN CCCN(C)CC(=O)N(C)CC[C@@H](C)O ZINC000362354749 169064292 /nfs/dbraw/zinc/06/42/92/169064292.db2.gz XQDHOIWGGHVPAL-SNVBAGLBSA-N 0 3 216.325 0.558 20 0 BCADHN CCCN(C)CC(=O)N(C)CC1(O)CCC1 ZINC000354296544 169064444 /nfs/dbraw/zinc/06/44/44/169064444.db2.gz ANOFWVJRIWRDBI-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN CCCN(C)CC(=O)N(C)C1CCN(C)CC1 ZINC000358600298 169064981 /nfs/dbraw/zinc/06/49/81/169064981.db2.gz OGBCJEKVBPKBAM-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CCCN(C)CC(=O)N(CCO)CC1CC1 ZINC000339769611 169065351 /nfs/dbraw/zinc/06/53/51/169065351.db2.gz PMBVCOYJUSPSGF-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN CCCN(C)CC(=O)N(CC)C[C@H](C)O ZINC000341322863 169065413 /nfs/dbraw/zinc/06/54/13/169065413.db2.gz OVQKKQYMVOSAIN-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN CCCN(C)CC(=O)N(C)Cc1ccon1 ZINC000352605915 169065715 /nfs/dbraw/zinc/06/57/15/169065715.db2.gz BFGCVQGDAVDDJL-UHFFFAOYSA-N 0 3 225.292 0.975 20 0 BCADHN CCCN(C)CC(=O)N(C)CCN(C)C1CC1 ZINC000354075445 169065987 /nfs/dbraw/zinc/06/59/87/169065987.db2.gz MCCJABFBNBHDOF-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN O[C@H](CN1CCOC[C@H](O)C1)C1CCCCC1 ZINC000332375603 183221268 /nfs/dbraw/zinc/22/12/68/183221268.db2.gz WOYVWNVJJGZFAG-CHWSQXEVSA-N 0 3 243.347 0.621 20 0 BCADHN CCCN(C)S(=O)(=O)[C@H]1CCCNC1 ZINC000037098732 169084359 /nfs/dbraw/zinc/08/43/59/169084359.db2.gz MDMRXHGRUNTTTJ-VIFPVBQESA-N 0 3 220.338 0.410 20 0 BCADHN O[C@H](COC1CCOCC1)CN1CCC1 ZINC000336643099 183226654 /nfs/dbraw/zinc/22/66/54/183226654.db2.gz BNCSTXGCDGAAJL-JTQLQIEISA-N 0 3 215.293 0.249 20 0 BCADHN O[C@@H]1COC[C@H]1N1CC[C@]2(C1)CCCOC2 ZINC000361379040 183210792 /nfs/dbraw/zinc/21/07/92/183210792.db2.gz TUFABQIVJDAATO-UTUOFQBUSA-N 0 3 227.304 0.249 20 0 BCADHN O[C@@H]1COC[C@H]1N[C@@H]1COc2ccccc2C1 ZINC000323227582 183211633 /nfs/dbraw/zinc/21/16/33/183211633.db2.gz ZZEUSXXORLTPCT-QJPTWQEYSA-N 0 3 235.283 0.339 20 0 BCADHN CCCN(CC(=O)N(C)C)C(=O)CNC(C)C ZINC000038101149 169093729 /nfs/dbraw/zinc/09/37/29/169093729.db2.gz YAWJTWPCNLLYEM-UHFFFAOYSA-N 0 3 243.351 0.311 20 0 BCADHN CCCN(CC(=O)NC1CC1)CC(C)(C)O ZINC000357980186 169095732 /nfs/dbraw/zinc/09/57/32/169095732.db2.gz VCAVGHPBILZORG-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN O[C@H]1CCN([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000272047186 183240204 /nfs/dbraw/zinc/24/02/04/183240204.db2.gz YWGGOAPXCLBFOK-DRZSPHRISA-N 0 3 219.284 0.711 20 0 BCADHN O[C@@H](CN1CC[C@H](O)C1)c1ccccc1 ZINC000061708309 183240512 /nfs/dbraw/zinc/24/05/12/183240512.db2.gz FSASLDFNRPYGNZ-RYUDHWBXSA-N 0 3 207.273 0.787 20 0 BCADHN O[C@H]1CN(Cc2cccc3cc[nH]c32)C[C@@H]1O ZINC000336530477 183244423 /nfs/dbraw/zinc/24/44/23/183244423.db2.gz OLNQQNMRYLSICO-RYUDHWBXSA-N 0 3 232.283 0.705 20 0 BCADHN CCCN(CCN(C)C)C(=O)CC(C)(C)O ZINC000349567534 169155234 /nfs/dbraw/zinc/15/52/34/169155234.db2.gz YBMKAUJYJWOIIY-UHFFFAOYSA-N 0 3 230.352 0.948 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@](C)(O)C1CC1 ZINC000341918196 169158733 /nfs/dbraw/zinc/15/87/33/169158733.db2.gz NZHPCIALVBVNRY-CYBMUJFWSA-N 0 3 242.363 0.948 20 0 BCADHN Oc1cccc(CNC[C@@H]2COCCO2)c1 ZINC000037997958 183292091 /nfs/dbraw/zinc/29/20/91/183292091.db2.gz ILCZXOBGHWOPRP-GFCCVEGCSA-N 0 3 223.272 0.897 20 0 BCADHN CCCN(CCO)C(=O)[C@H](C(C)C)N(C)C ZINC000342046055 169162329 /nfs/dbraw/zinc/16/23/29/169162329.db2.gz QHTAIAAGCNWYPL-NSHDSACASA-N 0 3 230.352 0.804 20 0 BCADHN CCCN(CCO)Cc1cnn(CCOC)c1 ZINC000271021895 169167385 /nfs/dbraw/zinc/16/73/85/169167385.db2.gz CHHJKTWQQUQFTI-UHFFFAOYSA-N 0 3 241.335 0.734 20 0 BCADHN CCCN1CCC(NCCS(C)(=O)=O)CC1 ZINC000037740412 169187994 /nfs/dbraw/zinc/18/79/94/169187994.db2.gz NFVFMHIXDLGDCB-UHFFFAOYSA-N 0 3 248.392 0.495 20 0 BCADHN CCCN1CCCN(Cc2nnnn2C)CC1 ZINC000363400208 169192836 /nfs/dbraw/zinc/19/28/36/169192836.db2.gz HTQUUFWTPFVQSR-UHFFFAOYSA-N 0 3 238.339 0.128 20 0 BCADHN CCCN1CCCN([C@H](C)C(N)=O)CC1 ZINC000369247054 169192890 /nfs/dbraw/zinc/19/28/90/169192890.db2.gz AGCPLOIKSLYWGP-SNVBAGLBSA-N 0 3 213.325 0.278 20 0 BCADHN CCCN1CCCN(Cc2cnn(C)n2)CC1 ZINC000367730506 169193760 /nfs/dbraw/zinc/19/37/60/169193760.db2.gz WBEYUQDAMYDURT-UHFFFAOYSA-N 0 3 237.351 0.733 20 0 BCADHN CCCN1CCCN([C@H](C)C(=O)OC)CC1 ZINC000364229184 169193810 /nfs/dbraw/zinc/19/38/10/169193810.db2.gz FTHMMEPPAFKISM-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCOC1 ZINC000337485715 169194913 /nfs/dbraw/zinc/19/49/13/169194913.db2.gz ZBASBYQPZHRHAO-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NCCC(N)=O ZINC000330922350 169195741 /nfs/dbraw/zinc/19/57/41/169195741.db2.gz BGYMUJURFTYRFZ-SECBINFHSA-N 0 3 227.308 0.902 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCC(=O)OCC ZINC000355535674 169198128 /nfs/dbraw/zinc/19/81/28/169198128.db2.gz SKDUAXYSPDKTSM-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NC[C@@H](C)CO ZINC000330702545 169198230 /nfs/dbraw/zinc/19/82/30/169198230.db2.gz ZSWGCOXJBMTYKF-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCC(C)(C)O ZINC000331295734 169198476 /nfs/dbraw/zinc/19/84/76/169198476.db2.gz MTKVQIGCWYDRCE-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NC[C@@H](O)C(C)C ZINC000331206281 169198732 /nfs/dbraw/zinc/19/87/32/169198732.db2.gz DMYFGNMVAAUIPD-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CCOC1 ZINC000337485716 169200146 /nfs/dbraw/zinc/20/01/46/169200146.db2.gz ZBASBYQPZHRHAO-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CCCN1CCC[C@H]1CNCc1cnnn1C ZINC000353139053 169200419 /nfs/dbraw/zinc/20/04/19/169200419.db2.gz NQQZVQXPAWBJDJ-NSHDSACASA-N 0 3 237.351 0.779 20 0 BCADHN CCCNC(=O)CNC(=O)[C@H](N)[C@@H](C)CC ZINC000035663411 169225418 /nfs/dbraw/zinc/22/54/18/169225418.db2.gz MNFNNIZZBLHIIN-WCBMZHEXSA-N 0 3 229.324 0.002 20 0 BCADHN CCCNC(=O)CNC(C)(C)COCC ZINC000339376865 169226522 /nfs/dbraw/zinc/22/65/22/169226522.db2.gz RIIBHJQPLAJVFC-UHFFFAOYSA-N 0 3 216.325 0.917 20 0 BCADHN CCCNC(=O)CN[C@H]1CCC[C@@H]1C(=O)NC ZINC000330593183 169228941 /nfs/dbraw/zinc/22/89/41/169228941.db2.gz YVJJCEWUFVXQRM-UWVGGRQHSA-N 0 3 241.335 0.017 20 0 BCADHN CCCNC(=O)CN[C@H](C)[C@H](C)C(=O)OCC ZINC000338296337 169228968 /nfs/dbraw/zinc/22/89/68/169228968.db2.gz JRYNITKCXUJCDT-VHSXEESVSA-N 0 3 244.335 0.690 20 0 BCADHN CCCNC(=O)CN[C@H](C)[C@@H](C)C(=O)OCC ZINC000338295895 169229096 /nfs/dbraw/zinc/22/90/96/169229096.db2.gz JRYNITKCXUJCDT-NXEZZACHSA-N 0 3 244.335 0.690 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCC[C@]1(C)CO ZINC000309484379 169229104 /nfs/dbraw/zinc/22/91/04/169229104.db2.gz UUDGWXYZXUIFFB-ZYHUDNBSSA-N 0 3 228.336 0.653 20 0 BCADHN CCCNC(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000035735866 169229162 /nfs/dbraw/zinc/22/91/62/169229162.db2.gz BOHANRNRGNEFEC-NXEZZACHSA-N 0 3 214.309 0.670 20 0 BCADHN CCCNC(=O)CN[C@@H]1CSC[C@H]1C ZINC000308520371 169229268 /nfs/dbraw/zinc/22/92/68/169229268.db2.gz HIDVIKZJULXGSB-RKDXNWHRSA-N 0 3 216.350 0.854 20 0 BCADHN c1cc(CNC[C@@H]2CNCCO2)cs1 ZINC000063147409 183350479 /nfs/dbraw/zinc/35/04/79/183350479.db2.gz JZDLALBHFMCXPJ-JTQLQIEISA-N 0 3 212.318 0.826 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@H](N)[C@@H](C)CC ZINC000045088645 169216782 /nfs/dbraw/zinc/21/67/82/169216782.db2.gz QQVUXRKLIKWPIN-GXSJLCMTSA-N 0 3 243.351 0.392 20 0 BCADHN CCCNC(=O)CN1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000376663282 169221978 /nfs/dbraw/zinc/22/19/78/169221978.db2.gz IHPPDQJUSYHAPI-RYUDHWBXSA-N 0 3 239.363 0.539 20 0 BCADHN CCCNC(=O)CN1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000331285381 169222745 /nfs/dbraw/zinc/22/27/45/169222745.db2.gz LPDNDMBSUBBAFE-SRVKXCTJSA-N 0 3 242.363 0.994 20 0 BCADHN CCCNC(=O)Nc1ccnn1CCN(C)C ZINC000294152605 169240290 /nfs/dbraw/zinc/24/02/90/169240290.db2.gz HNNJCSOYOWHKDX-UHFFFAOYSA-N 0 3 239.323 0.976 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CCC[C@@H](CO)CC1 ZINC000339755314 169240824 /nfs/dbraw/zinc/24/08/24/169240824.db2.gz XJBMGWUWXSCCNH-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CC[C@@H](CO)C1 ZINC000225978782 169241366 /nfs/dbraw/zinc/24/13/66/169241366.db2.gz JAZRKIYFKTVNPP-NXEZZACHSA-N 0 3 214.309 0.215 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CC[C@H](CO)C1 ZINC000051887974 169241735 /nfs/dbraw/zinc/24/17/35/169241735.db2.gz JAZRKIYFKTVNPP-ZJUUUORDSA-N 0 3 214.309 0.215 20 0 BCADHN CCCNC(=O)C(C)S(=O)(=O)[C@H]1CCOC1 ZINC000362671027 169242777 /nfs/dbraw/zinc/24/27/77/169242777.db2.gz KIDBMLKUGDWSRE-BDAKNGLRSA-N 0 3 249.332 0.105 20 0 BCADHN CCCNC(=O)[C@H](C)N1CCCC[C@@H](CO)C1 ZINC000363348528 169245770 /nfs/dbraw/zinc/24/57/70/169245770.db2.gz PGXCUJXQYFVALM-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@H](CC(N)=O)C1 ZINC000367369288 169245978 /nfs/dbraw/zinc/24/59/78/169245978.db2.gz BMEVSHWBKDRLCI-VHSXEESVSA-N 0 3 241.335 0.098 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@@H](CC(N)=O)C1 ZINC000367369287 169246262 /nfs/dbraw/zinc/24/62/62/169246262.db2.gz BMEVSHWBKDRLCI-UWVGGRQHSA-N 0 3 241.335 0.098 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@](O)(C2CC2)C1 ZINC000373240506 169246765 /nfs/dbraw/zinc/24/67/65/169246765.db2.gz DEDSOMOTMKUVCY-GXFFZTMASA-N 0 3 240.347 0.748 20 0 BCADHN CCCOCC(=O)N1CCCNCC1 ZINC000042355147 169303099 /nfs/dbraw/zinc/30/30/99/169303099.db2.gz XPZIXXZLEBAOPD-UHFFFAOYSA-N 0 3 200.282 0.235 20 0 BCADHN CCCOCC(=O)N1CCNC(C)(C)C1 ZINC000223649879 169303479 /nfs/dbraw/zinc/30/34/79/169303479.db2.gz YLPDDOCRTLVUQC-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CCCOCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000227355568 169303999 /nfs/dbraw/zinc/30/39/99/169303999.db2.gz KBDKULKNSYADEL-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CCCOCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000374876552 169304200 /nfs/dbraw/zinc/30/42/00/169304200.db2.gz OELUZOIOMHRLGC-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CCCOCC(=O)NCCNc1ccncc1 ZINC000354457851 169304990 /nfs/dbraw/zinc/30/49/90/169304990.db2.gz ZOKCYWSRJOSVPI-UHFFFAOYSA-N 0 3 237.303 0.458 20 0 BCADHN CCC[C@@H](C(=O)NC[C@H](CO)C1CC1)N(C)C ZINC000358358495 169344776 /nfs/dbraw/zinc/34/47/76/169344776.db2.gz TZOYFFAQWUARBA-NEPJUHHUSA-N 0 3 242.363 0.851 20 0 BCADHN CCC[C@@H](C(=O)N1CC(O)(C2CC2)C1)N(C)C ZINC000372692459 169343953 /nfs/dbraw/zinc/34/39/53/169343953.db2.gz SZBDEQSTHCREDQ-NSHDSACASA-N 0 3 240.347 0.700 20 0 BCADHN CCCS(=O)(=O)N[C@@H]1CNCC[C@@H]1C ZINC000070957554 169333378 /nfs/dbraw/zinc/33/33/78/169333378.db2.gz JZOUBNRSTBABQG-DTWKUNHWSA-N 0 3 220.338 0.314 20 0 BCADHN c1cn(CCCN[C@H]2CCn3ccnc32)nn1 ZINC000345341944 183467281 /nfs/dbraw/zinc/46/72/81/183467281.db2.gz FHBQYGGMXSHICW-JTQLQIEISA-N 0 3 232.291 0.599 20 0 BCADHN CCC[C@@H](C)CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000180726503 169358571 /nfs/dbraw/zinc/35/85/71/169358571.db2.gz XJEDZFIWMDJWFI-MXWKQRLJSA-N 0 3 228.336 0.997 20 0 BCADHN CCC[C@@H](C)CS(=O)(=O)NCCNC ZINC000123624459 169361675 /nfs/dbraw/zinc/36/16/75/169361675.db2.gz CJZXJZYEKODIHA-SECBINFHSA-N 0 3 222.354 0.561 20 0 BCADHN CCC[C@@H](N)C(=O)N(CC(=O)OCC)C1CC1 ZINC000037825633 169387121 /nfs/dbraw/zinc/38/71/21/169387121.db2.gz ZFTOGNYSQDYACY-SNVBAGLBSA-N 0 3 242.319 0.668 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)Cc1cc[nH]n1 ZINC000336725025 169387307 /nfs/dbraw/zinc/38/73/07/169387307.db2.gz BGOKJBRKMWQZER-SECBINFHSA-N 0 3 210.281 0.496 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCc2cncnc2C1 ZINC000353669026 169387929 /nfs/dbraw/zinc/38/79/29/169387929.db2.gz RIUVDQBAXYWTNI-SNVBAGLBSA-N 0 3 234.303 0.489 20 0 BCADHN CCC[C@@H](CC)NC(=O)COC1CNC1 ZINC000336676213 169376696 /nfs/dbraw/zinc/37/66/96/169376696.db2.gz LJSPOSSNBVMMSB-SECBINFHSA-N 0 3 214.309 0.670 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)Cc1cnn(C)c1 ZINC000037800766 169386463 /nfs/dbraw/zinc/38/64/63/169386463.db2.gz XODHMQHUBMCACJ-SNVBAGLBSA-N 0 3 224.308 0.506 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000353644490 169390066 /nfs/dbraw/zinc/39/00/66/169390066.db2.gz QAJQYUGALGAFIU-NXEZZACHSA-N 0 3 241.335 0.239 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000353330122 169388500 /nfs/dbraw/zinc/38/85/00/169388500.db2.gz SEPPHSOHOIUUOM-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN CCC[C@@H](N)C(=O)NCC(=O)NC(C)(C)C ZINC000036873243 169388975 /nfs/dbraw/zinc/38/89/75/169388975.db2.gz DPDJPZSTESFCFQ-MRVPVSSYSA-N 0 3 229.324 0.145 20 0 BCADHN CCC[C@@H](N)C(=O)NCc1ccncc1 ZINC000036873061 169390799 /nfs/dbraw/zinc/39/07/99/169390799.db2.gz CQYRPHLNCCWSBA-SNVBAGLBSA-N 0 3 207.277 0.825 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H]1CCc2nccn2C1 ZINC000378498642 169390836 /nfs/dbraw/zinc/39/08/36/169390836.db2.gz QFQUFRAEAIRMCD-NXEZZACHSA-N 0 3 236.319 0.442 20 0 BCADHN CCC[C@@H](N)C(=O)NCc1cccc(CO)c1 ZINC000225421131 169391147 /nfs/dbraw/zinc/39/11/47/169391147.db2.gz KNWVOTNBVZIZKO-GFCCVEGCSA-N 0 3 236.315 0.923 20 0 BCADHN COC[C@H](O)CN1CCSC[C@@H]1C ZINC000179609012 134322731 /nfs/dbraw/zinc/32/27/31/134322731.db2.gz PYBMFMLKSAHEGV-DTWKUNHWSA-N 0 3 205.323 0.431 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1CC[C@@H](C)[C@@H](O)C1 ZINC000221447971 134325165 /nfs/dbraw/zinc/32/51/65/134325165.db2.gz OSENTUQSBPLNBT-WOPDTQHZSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@H](C(=O)N(CCO)CC(F)F)N(C)C ZINC000357388914 170660938 /nfs/dbraw/zinc/66/09/38/170660938.db2.gz DDWXVGDTWQCMSA-QMMMGPOBSA-N 0 3 238.278 0.413 20 0 BCADHN C[C@@H]1CCN([C@@H]2CCCCNC2=O)C[C@@H]1O ZINC000221430177 134324629 /nfs/dbraw/zinc/32/46/29/134324629.db2.gz ACDRWVHHQYGQQK-MXWKQRLJSA-N 0 3 226.320 0.358 20 0 BCADHN CCCNC(=O)CN[C@H](CO)C(C)(C)C ZINC000180636133 134330677 /nfs/dbraw/zinc/33/06/77/134330677.db2.gz PNJKPFFVKAEVQC-SECBINFHSA-N 0 3 216.325 0.509 20 0 BCADHN CCOCCN(C)C[C@@H](O)COCC(C)C ZINC000180995173 134332797 /nfs/dbraw/zinc/33/27/97/134332797.db2.gz CVSWBBPOQZMOPQ-GFCCVEGCSA-N 0 3 233.352 0.988 20 0 BCADHN c1ncn(C2CCN([C@@H]3CCOC3)CC2)n1 ZINC000336660662 183548994 /nfs/dbraw/zinc/54/89/94/183548994.db2.gz AWXGVUUTSICYEE-LLVKDONJSA-N 0 3 222.292 0.704 20 0 BCADHN COC1(CNC(=O)C(C)S(C)(=O)=O)CCC1 ZINC000181985641 134341049 /nfs/dbraw/zinc/34/10/49/134341049.db2.gz SANJRHQFIFAAKG-QMMMGPOBSA-N 0 3 249.332 0.105 20 0 BCADHN CNC(=O)[C@H]1CCCCN1C[C@H](C)OC ZINC000182114372 134341877 /nfs/dbraw/zinc/34/18/77/134341877.db2.gz OIMVBRMZOKDMSZ-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CO[C@@H](C)CN(CC(N)=O)CC(C)C ZINC000182054085 134341619 /nfs/dbraw/zinc/34/16/19/134341619.db2.gz LZVZBHJMXHONGY-VIFPVBQESA-N 0 3 202.298 0.465 20 0 BCADHN C[C@@H](CO)CCCN[C@H](C)CS(C)(=O)=O ZINC000223819569 134343141 /nfs/dbraw/zinc/34/31/41/134343141.db2.gz LYCZUTZKEBGFMS-NXEZZACHSA-N 0 3 237.365 0.418 20 0 BCADHN CCC[C@H](C(=O)NC[C@@H]1[C@H]2COC[C@H]21)N(C)C ZINC000367803256 169466266 /nfs/dbraw/zinc/46/62/66/169466266.db2.gz MQGZXURQODLLQV-WISYIIOYSA-N 0 3 240.347 0.725 20 0 BCADHN CCOC1CC(N[C@@H](C)CS(=O)(=O)CC)C1 ZINC000224425989 134347168 /nfs/dbraw/zinc/34/71/68/134347168.db2.gz ZIIFNXRKRDMSMR-WHXUTIOJSA-N 0 3 249.376 0.967 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H](C)Cn1cccn1 ZINC000037621616 169547308 /nfs/dbraw/zinc/54/73/08/169547308.db2.gz HIFWGEBIDCXCCX-JQWIXIFHSA-N 0 3 238.335 0.905 20 0 BCADHN CCC[C@@H](N)C(=O)NCCc1nc(C)no1 ZINC000225409977 134353436 /nfs/dbraw/zinc/35/34/36/134353436.db2.gz IBFZKHZEPDFJSM-MRVPVSSYSA-N 0 3 226.280 0.164 20 0 BCADHN CC[C@@H]1CN(C(=O)C(C)(C)N)C[C@@H](C)O1 ZINC000236918705 171062286 /nfs/dbraw/zinc/06/22/86/171062286.db2.gz ZURCIKSGZDBBFV-RKDXNWHRSA-N 0 3 214.309 0.750 20 0 BCADHN CCOCCN[C@@H](C(=O)NC)C(C)C ZINC000183641081 134355250 /nfs/dbraw/zinc/35/52/50/134355250.db2.gz CYFSFGGSLKNVLA-SECBINFHSA-N 0 3 202.298 0.383 20 0 BCADHN CNC(=O)[C@H](NCCn1cccn1)C(C)C ZINC000183643309 134355244 /nfs/dbraw/zinc/35/52/44/134355244.db2.gz WAJSXQDACNAWOE-SNVBAGLBSA-N 0 3 224.308 0.243 20 0 BCADHN CNC(=O)[C@H](NC[C@@H]1CCCCO1)C(C)C ZINC000183635465 134355464 /nfs/dbraw/zinc/35/54/64/134355464.db2.gz OPJKQMHZQXSCSR-WDEREUQCSA-N 0 3 228.336 0.916 20 0 BCADHN CC1(C)[C@H](NC(=O)C2(N)CC2)[C@H]2CCCO[C@H]21 ZINC000376199542 168005621 /nfs/dbraw/zinc/00/56/21/168005621.db2.gz RPFKJIVQNXATTH-OPRDCNLKSA-N 0 3 238.331 0.798 20 0 BCADHN CC[C@@H]1CN(C[C@@H](O)C(F)(F)F)C[C@@H]1O ZINC000359605311 171084539 /nfs/dbraw/zinc/08/45/39/171084539.db2.gz UWFKEZPIBFLLPK-GJMOJQLCSA-N 0 3 227.226 0.612 20 0 BCADHN CC[C@@H]1CN([C@@H]2CCCNC2=O)CCCO1 ZINC000334447036 171096373 /nfs/dbraw/zinc/09/63/73/171096373.db2.gz LNURRROJRDAALA-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN COCCCCCNC(=O)C[C@@H]1CNCCO1 ZINC000226327307 134360520 /nfs/dbraw/zinc/36/05/20/134360520.db2.gz HMHNWSPDLNOSBF-LLVKDONJSA-N 0 3 244.335 0.298 20 0 BCADHN CCC[C@](C)(N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000226321374 134360462 /nfs/dbraw/zinc/36/04/62/134360462.db2.gz PWFIRTKEQGWDMI-SVRRBLITSA-N 0 3 242.241 0.543 20 0 BCADHN CC[C@@H]1CO[C@H](C)CN1CCC(=O)NC ZINC000353856076 171111591 /nfs/dbraw/zinc/11/15/91/171111591.db2.gz PCTHLWJHBHUNTE-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@@](C)(O)C1 ZINC000226204117 134361463 /nfs/dbraw/zinc/36/14/63/134361463.db2.gz HGWBVCHINMOWDC-LDYMZIIASA-N 0 3 212.293 0.110 20 0 BCADHN Cc1ccc(O)c(CNC[C@@H](O)C(F)F)n1 ZINC000226577474 134366870 /nfs/dbraw/zinc/36/68/70/134366870.db2.gz RZXYLTGIQUUVTN-SECBINFHSA-N 0 3 232.230 0.811 20 0 BCADHN Cc1cnn(CCNC(=O)[C@@H](N)CC(C)C)c1 ZINC000226675559 134368414 /nfs/dbraw/zinc/36/84/14/134368414.db2.gz BYUPHJYSACNSTC-NSHDSACASA-N 0 3 238.335 0.681 20 0 BCADHN C[C@@H]1CCN(C[C@@H](O)C(F)(F)F)[C@@H]1CO ZINC000227152554 134376546 /nfs/dbraw/zinc/37/65/46/134376546.db2.gz USQDKWMOENRGGT-BWZBUEFSSA-N 0 3 227.226 0.612 20 0 BCADHN COC(=O)[C@@H]1[C@H](CNCC(C)(C)O)C1(F)F ZINC000894259594 583397382 /nfs/dbraw/zinc/39/73/82/583397382.db2.gz DEZRVCHHZLAKST-BQBZGAKWSA-N 0 3 237.246 0.401 20 0 BCADHN C1C[C@H](N2CCN3CCCC[C@@H]3C2)CO1 ZINC000227352682 134378503 /nfs/dbraw/zinc/37/85/03/134378503.db2.gz YXGBBEPVPVHCAN-NEPJUHHUSA-N 0 3 210.321 0.945 20 0 BCADHN CCC(CC)N(CCOC)C(=O)[C@@H](CN)OC ZINC000227365848 134378613 /nfs/dbraw/zinc/37/86/13/134378613.db2.gz OCVKMKXZJXTWOR-LLVKDONJSA-N 0 3 246.351 0.624 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000037769226 383843169 /nfs/dbraw/zinc/84/31/69/383843169.db2.gz DTRFEYRVRKNDMY-GXSJLCMTSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@@H](N[C@H]1CO[C@H](C)C1)C(=O)NCCF ZINC000647208776 383846713 /nfs/dbraw/zinc/84/67/13/383846713.db2.gz CTYMZURNWVTSQX-IWSPIJDZSA-N 0 3 218.272 0.228 20 0 BCADHN COCc1ccccc1CNC(=O)C1(N)CC1 ZINC000088130232 383881659 /nfs/dbraw/zinc/88/16/59/383881659.db2.gz ZXHYKXGQNCFSDP-UHFFFAOYSA-N 0 3 234.299 0.941 20 0 BCADHN Cc1cc(C(=O)N2CCNC[C@@H]2C)[nH]n1 ZINC000069906587 383852766 /nfs/dbraw/zinc/85/27/66/383852766.db2.gz FUZFCNYFNHSVMG-QMMMGPOBSA-N 0 3 208.265 0.152 20 0 BCADHN Cc1cc(C(=O)N2CCNC[C@@H]2C)n[nH]1 ZINC000069906587 383852775 /nfs/dbraw/zinc/85/27/75/383852775.db2.gz FUZFCNYFNHSVMG-QMMMGPOBSA-N 0 3 208.265 0.152 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)CC(=O)NC(C)C ZINC000037801347 383856407 /nfs/dbraw/zinc/85/64/07/383856407.db2.gz GNQWWFSKNUOCGQ-GFCCVEGCSA-N 0 3 243.351 0.487 20 0 BCADHN CC[C@H](CO)NCc1cccc(C(N)=O)c1 ZINC000035603920 383862800 /nfs/dbraw/zinc/86/28/00/383862800.db2.gz INPIXVXXOMQJFQ-LLVKDONJSA-N 0 3 222.288 0.646 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCN(C2CC2)CC1 ZINC000037827038 383865516 /nfs/dbraw/zinc/86/55/16/383865516.db2.gz UPXPTVRAZZUICW-CYBMUJFWSA-N 0 3 239.363 0.811 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)Cc1nccn1C ZINC000037823031 383866584 /nfs/dbraw/zinc/86/65/84/383866584.db2.gz LLMQKWDXDYDGLD-GFCCVEGCSA-N 0 3 238.335 0.896 20 0 BCADHN Cn1cc(CN2CCN(C)C(C)(C)C2)cn1 ZINC000518439830 383871001 /nfs/dbraw/zinc/87/10/01/383871001.db2.gz OQDSNNJNZUVVOW-UHFFFAOYSA-N 0 3 222.336 0.946 20 0 BCADHN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000334641347 383877773 /nfs/dbraw/zinc/87/77/73/383877773.db2.gz RAXNTBVSFWBURF-HTQZYQBOSA-N 0 3 246.307 0.840 20 0 BCADHN Cc1noc(C)c1C(=O)NC[C@@H]1CCN(C)C1 ZINC000066652418 383877775 /nfs/dbraw/zinc/87/77/75/383877775.db2.gz LMTWELLFOSGIDN-JTQLQIEISA-N 0 3 237.303 0.973 20 0 BCADHN C[C@H](NC[C@]1(O)CCOC1)c1cnn(C)c1 ZINC000222419836 383877782 /nfs/dbraw/zinc/87/77/82/383877782.db2.gz VVJYVBRRHFNRFH-GXSJLCMTSA-N 0 3 225.292 0.222 20 0 BCADHN CCOC1CC(C(=O)NCCN(C)C)C1 ZINC000558354075 383934578 /nfs/dbraw/zinc/93/45/78/383934578.db2.gz RWXLICLRDVSTKR-UHFFFAOYSA-N 0 3 214.309 0.479 20 0 BCADHN Cn1cncc1CNCCCN1CCOCC1 ZINC000112337452 383916766 /nfs/dbraw/zinc/91/67/66/383916766.db2.gz BILVXKOKSLCPFL-UHFFFAOYSA-N 0 3 238.335 0.232 20 0 BCADHN C[C@@H](CN1CCCC1=O)NCc1cncn1C ZINC000112342376 383920635 /nfs/dbraw/zinc/92/06/35/383920635.db2.gz QDASTMOZWIYNDJ-JTQLQIEISA-N 0 3 236.319 0.521 20 0 BCADHN Cn1ncc2c1CCC[C@H]2NCCOCCO ZINC000037051865 383935135 /nfs/dbraw/zinc/93/51/35/383935135.db2.gz CWWKMBRRKBRMNS-LLVKDONJSA-N 0 3 239.319 0.396 20 0 BCADHN NC1(C(=O)NCCc2nccs2)CCC1 ZINC000088051116 383923263 /nfs/dbraw/zinc/92/32/63/383923263.db2.gz CJBFWSCFAKFXND-UHFFFAOYSA-N 0 3 225.317 0.683 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H](C)Cn1ccnc1 ZINC000036999353 383927067 /nfs/dbraw/zinc/92/70/67/383927067.db2.gz IGUUPQDLYKNQCR-ZJUUUORDSA-N 0 3 224.308 0.371 20 0 BCADHN CC[C@H](N)C(=O)Nc1cccc(NC(N)=O)c1 ZINC000037041074 383930735 /nfs/dbraw/zinc/93/07/35/383930735.db2.gz IFDDFZUFHNYOGC-VIFPVBQESA-N 0 3 236.275 0.853 20 0 BCADHN COC(=O)c1ccc(F)c(NC(=O)[C@@H](C)N)c1 ZINC000037017071 383930895 /nfs/dbraw/zinc/93/08/95/383930895.db2.gz JOOHKKOAKCPSSM-ZCFIWIBFSA-N 0 3 240.234 0.898 20 0 BCADHN Cc1cc(CCN[C@H](C)CS(C)(=O)=O)on1 ZINC000309385655 383933064 /nfs/dbraw/zinc/93/30/64/383933064.db2.gz SRMUIONKGSQTFU-SECBINFHSA-N 0 3 246.332 0.548 20 0 BCADHN Cc1n[nH]c(C)c1CC(=O)NCCN(C)C ZINC000066777226 383888282 /nfs/dbraw/zinc/88/82/82/383888282.db2.gz WACXBERCUFIBMK-UHFFFAOYSA-N 0 3 224.308 0.247 20 0 BCADHN Cn1nccc1CN[C@@H]1COCC1(C)C ZINC000313111191 383898289 /nfs/dbraw/zinc/89/82/89/383898289.db2.gz LVAXVXJGKXYBGF-SNVBAGLBSA-N 0 3 209.293 0.935 20 0 BCADHN C[C@H](N[C@H]1CO[C@H](C)C1)C1(S(C)(=O)=O)CC1 ZINC000647210511 383898900 /nfs/dbraw/zinc/89/89/00/383898900.db2.gz KKEMRAGMBLNAMQ-KXUCPTDWSA-N 0 3 247.360 0.719 20 0 BCADHN CCN(CC)C(=O)C(C)S(C)(=O)=O ZINC000097324639 383903100 /nfs/dbraw/zinc/90/31/00/383903100.db2.gz KFYHTIQICVXGRJ-SSDOTTSWSA-N 0 3 207.295 0.288 20 0 BCADHN CCN1OC[C@H](N[C@@H](C)[C@H]2CCCOC2)C1=O ZINC000643611151 383903334 /nfs/dbraw/zinc/90/33/34/383903334.db2.gz QUDQJZGSDUELAE-DCAQKATOSA-N 0 3 242.319 0.553 20 0 BCADHN Cn1cc(CCNCc2cc[nH]n2)cn1 ZINC000066973746 383903321 /nfs/dbraw/zinc/90/33/21/383903321.db2.gz JCLFGXMYJHOFAE-UHFFFAOYSA-N 0 3 205.265 0.476 20 0 BCADHN O=S(=O)(NCCNC1CC1)c1ccoc1 ZINC000647210729 383904160 /nfs/dbraw/zinc/90/41/60/383904160.db2.gz VWGBZWDJYHBYFF-UHFFFAOYSA-N 0 3 230.289 0.310 20 0 BCADHN CCN1OC[C@H](N[C@H](C)[C@H]2CCCOC2)C1=O ZINC000643611153 383904802 /nfs/dbraw/zinc/90/48/02/383904802.db2.gz QUDQJZGSDUELAE-VWYCJHECSA-N 0 3 242.319 0.553 20 0 BCADHN O=C(CNCC1CC1)Nc1nnc2n1CCCC2 ZINC000518529270 383978957 /nfs/dbraw/zinc/97/89/57/383978957.db2.gz FPMXXRKIHAMZJD-UHFFFAOYSA-N 0 3 249.318 0.553 20 0 BCADHN COc1ncncc1CNCC[C@@H](C)CCO ZINC000647214236 383980263 /nfs/dbraw/zinc/98/02/63/383980263.db2.gz SYUYEARKIDPFEH-SNVBAGLBSA-N 0 3 239.319 0.983 20 0 BCADHN CCN(CCOC)C[C@H]1CN(C)C(=O)O1 ZINC000497137514 383981918 /nfs/dbraw/zinc/98/19/18/383981918.db2.gz YBBQMJURVARVJC-SECBINFHSA-N 0 3 216.281 0.405 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H](COC)C1CC1 ZINC000089634633 383982551 /nfs/dbraw/zinc/98/25/51/383982551.db2.gz UVJZSWMWHKZYRC-KOLCDFICSA-N 0 3 249.376 0.824 20 0 BCADHN CN(C)CCNC(=O)C1(O)Cc2ccccc2C1 ZINC000370982487 384002222 /nfs/dbraw/zinc/00/22/22/384002222.db2.gz NWBWRHYZMKIHFS-UHFFFAOYSA-N 0 3 248.326 0.194 20 0 BCADHN COc1ncncc1CNC[C@@H](C)CCCO ZINC000647214436 383988219 /nfs/dbraw/zinc/98/82/19/383988219.db2.gz ZGROSPTZMJZUFD-JTQLQIEISA-N 0 3 239.319 0.983 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@H]1CCC[C@H](F)C1 ZINC000518536814 383990620 /nfs/dbraw/zinc/99/06/20/383990620.db2.gz NWCGWHNHGGPRRA-GARJFASQSA-N 0 3 244.310 0.762 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1cccnc1 ZINC000070558709 383940784 /nfs/dbraw/zinc/94/07/84/383940784.db2.gz NTYIOHABBRNLFJ-KOLCDFICSA-N 0 3 210.277 0.740 20 0 BCADHN COC[C@H](O)CN[C@@H](C)c1ccccn1 ZINC000070558718 383941502 /nfs/dbraw/zinc/94/15/02/383941502.db2.gz HZUXDOLVACQITH-VHSXEESVSA-N 0 3 210.277 0.740 20 0 BCADHN CC1(C)COC[C@H]1NCC(=O)NCC1CC1 ZINC000313147780 383947246 /nfs/dbraw/zinc/94/72/46/383947246.db2.gz SZRYBFKQFCABSY-SNVBAGLBSA-N 0 3 226.320 0.527 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCc1cnn(C)c1 ZINC000564881249 383947296 /nfs/dbraw/zinc/94/72/96/383947296.db2.gz RJYSMMLJGTXKFR-CYBMUJFWSA-N 0 3 236.363 0.989 20 0 BCADHN CC[C@H](O)CN1CCN(C)C[C@H]1CC ZINC000564881178 383949689 /nfs/dbraw/zinc/94/96/89/383949689.db2.gz OKNHPWPGNWOGNM-MNOVXSKESA-N 0 3 200.326 0.783 20 0 BCADHN CC(C)C[C@H](CN(C)C)NC(=O)CO ZINC000332432918 383951575 /nfs/dbraw/zinc/95/15/75/383951575.db2.gz CDRRAVFFMIGEAM-SECBINFHSA-N 0 3 202.298 0.071 20 0 BCADHN CCCN(CC(N)=O)C[C@@H]1CCCC[C@H]1O ZINC000569367751 383952002 /nfs/dbraw/zinc/95/20/02/383952002.db2.gz NDMDPKSSCFRBTE-WDEREUQCSA-N 0 3 228.336 0.735 20 0 BCADHN CCCN(CC(N)=O)C[C@H]1CCCC[C@H]1O ZINC000569367748 383952353 /nfs/dbraw/zinc/95/23/53/383952353.db2.gz NDMDPKSSCFRBTE-GHMZBOCLSA-N 0 3 228.336 0.735 20 0 BCADHN CC[C@H](N)C(=O)NCc1ncccc1C ZINC000070909507 383955894 /nfs/dbraw/zinc/95/58/94/383955894.db2.gz AMSUFNHJRPHEND-VIFPVBQESA-N 0 3 207.277 0.744 20 0 BCADHN c1ncn(CCN2CCCO[C@H]3CCC[C@H]32)n1 ZINC000363410223 383956991 /nfs/dbraw/zinc/95/69/91/383956991.db2.gz CQTZEEHAGCXEFB-NEPJUHHUSA-N 0 3 236.319 0.922 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC(OC)CC1 ZINC000070714200 383958584 /nfs/dbraw/zinc/95/85/84/383958584.db2.gz PAHKTIWWORZFKC-LLVKDONJSA-N 0 3 231.292 0.021 20 0 BCADHN CSC[C@H](O)CNCc1cccc(CO)n1 ZINC000564799385 383965449 /nfs/dbraw/zinc/96/54/49/383965449.db2.gz WVGLQOIEIRYOLQ-LLVKDONJSA-N 0 3 242.344 0.387 20 0 BCADHN C[C@@H]1CN(c2nnnn2C)CCN(C2CC2)C1 ZINC000560213778 383974296 /nfs/dbraw/zinc/97/42/96/383974296.db2.gz VUJLKILVNKOLJC-VIFPVBQESA-N 0 3 236.323 0.131 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccc(F)cn1 ZINC000309406716 383977174 /nfs/dbraw/zinc/97/71/74/383977174.db2.gz IBFPJZZLSIWSRU-VIFPVBQESA-N 0 3 211.240 0.574 20 0 BCADHN C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccccn1 ZINC000068802379 384016229 /nfs/dbraw/zinc/01/62/29/384016229.db2.gz YJCOXOGJWYCORH-QWHCGFSZSA-N 0 3 248.374 0.978 20 0 BCADHN Cn1cc([C@@H](CO)NC[C@@H]2CCSC2)cn1 ZINC000278551653 384018222 /nfs/dbraw/zinc/01/82/22/384018222.db2.gz VDQBWTVWQNIOMG-GXSJLCMTSA-N 0 3 241.360 0.796 20 0 BCADHN CCN1C[C@H](N[C@@H]2CO[C@H](C)C2)CC1=O ZINC000401790470 384019876 /nfs/dbraw/zinc/01/98/76/384019876.db2.gz NJYRFDGBRSJDCQ-BBBLOLIVSA-N 0 3 212.293 0.374 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)Cc1cnn(C)c1 ZINC000037800724 384021190 /nfs/dbraw/zinc/02/11/90/384021190.db2.gz OGCAEEIXSNWSEJ-SNVBAGLBSA-N 0 3 224.308 0.362 20 0 BCADHN COC[C@H](O)CN[C@H](CO)c1ccccc1 ZINC000068892061 384022637 /nfs/dbraw/zinc/02/26/37/384022637.db2.gz WUDNYYQSQXTIKW-VXGBXAGGSA-N 0 3 225.288 0.317 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@@H]1CO[C@H](C)C1 ZINC000401798536 384023100 /nfs/dbraw/zinc/02/31/00/384023100.db2.gz RHKUUHCXQAWQLA-UTLUCORTSA-N 0 3 214.309 0.620 20 0 BCADHN CO[C@H](CNC(C)(C)CS(C)(=O)=O)C1CC1 ZINC000400259998 384004462 /nfs/dbraw/zinc/00/44/62/384004462.db2.gz HOLMFZPWIQDSPU-SNVBAGLBSA-N 0 3 249.376 0.824 20 0 BCADHN Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)nn1C ZINC000336492830 384004635 /nfs/dbraw/zinc/00/46/35/384004635.db2.gz GBTQLRIZSSRQIC-NSHDSACASA-N 0 3 248.330 0.649 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H]1CO[C@@H](C)C1 ZINC000647216006 384009266 /nfs/dbraw/zinc/00/92/66/384009266.db2.gz QKDRKHGRXCUSKB-UKKRHICBSA-N 0 3 215.293 0.557 20 0 BCADHN O=C1NC[C@H]2CN(C[C@@H]3CCCOC3)CCN12 ZINC000336495612 384010428 /nfs/dbraw/zinc/01/04/28/384010428.db2.gz VQZHFPGYZGPDQM-QWRGUYRKSA-N 0 3 239.319 0.122 20 0 BCADHN CCOCc1ccccc1CNC(=O)CN ZINC000037762353 384011148 /nfs/dbraw/zinc/01/11/48/384011148.db2.gz NCUNLGBMUWQPEW-UHFFFAOYSA-N 0 3 222.288 0.798 20 0 BCADHN Cc1n[nH]cc1CN[C@]1(CCO)CCOC1 ZINC000278518627 384012170 /nfs/dbraw/zinc/01/21/70/384012170.db2.gz RKXCQBFYQYUPGH-LLVKDONJSA-N 0 3 225.292 0.349 20 0 BCADHN CCC[C@H](C)N1CCO[C@H](C(=O)NC)C1 ZINC000187720557 384012576 /nfs/dbraw/zinc/01/25/76/384012576.db2.gz IOTSDKLFVMLICE-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CCN1CCN(C[C@@H](O)CSC)CC1 ZINC000187721138 384013443 /nfs/dbraw/zinc/01/34/43/384013443.db2.gz AWBXAUHRAMGAGZ-SNVBAGLBSA-N 0 3 218.366 0.348 20 0 BCADHN Cc1cc(C(=O)NC[C@@](C)(O)CN(C)C)on1 ZINC000152735718 384028911 /nfs/dbraw/zinc/02/89/11/384028911.db2.gz LBDRKNZEZITYKA-LLVKDONJSA-N 0 3 241.291 0.025 20 0 BCADHN CCN(CC)CC(=O)NCc1ncc[nH]1 ZINC000114337907 384032121 /nfs/dbraw/zinc/03/21/21/384032121.db2.gz BELUXMXXKAWTQH-UHFFFAOYSA-N 0 3 210.281 0.368 20 0 BCADHN C[C@@H](NC[C@@H](O)Cn1cccn1)c1ccccn1 ZINC000037889245 384032147 /nfs/dbraw/zinc/03/21/47/384032147.db2.gz AEFAPAXRLZUYLR-VXGBXAGGSA-N 0 3 246.314 0.990 20 0 BCADHN CO[C@H](CN)C(=O)NC1CCCCC1 ZINC000227341427 384033927 /nfs/dbraw/zinc/03/39/27/384033927.db2.gz ZMNJWHDGTRWGLA-SECBINFHSA-N 0 3 200.282 0.409 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1CO[C@@H](C)C1 ZINC000647217192 384035769 /nfs/dbraw/zinc/03/57/69/384035769.db2.gz DLFZJURVKVOHLI-AATLWQCWSA-N 0 3 201.266 0.167 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cocn2)[C@H]1C ZINC000648127725 384053004 /nfs/dbraw/zinc/05/30/04/384053004.db2.gz SXVCZCXLCFCMFD-SFYZADRCSA-N 0 3 209.249 0.497 20 0 BCADHN CO[C@H](CNC[C@@H]1CCCS1(=O)=O)C1CC1 ZINC000400263709 384038551 /nfs/dbraw/zinc/03/85/51/384038551.db2.gz JGHPJWBLDAWGMD-WDEREUQCSA-N 0 3 247.360 0.578 20 0 BCADHN C[C@H]1C[C@H](NCC(=O)NCC2CC2)CO1 ZINC000401810011 384038811 /nfs/dbraw/zinc/03/88/11/384038811.db2.gz DUDPTALIXOWBFC-WPRPVWTQSA-N 0 3 212.293 0.280 20 0 BCADHN C[C@@H]1C[C@H](NCC(=O)NCC2CC2)CO1 ZINC000401810007 384039031 /nfs/dbraw/zinc/03/90/31/384039031.db2.gz DUDPTALIXOWBFC-SCZZXKLOSA-N 0 3 212.293 0.280 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCc1cncn1C ZINC000291166600 384086998 /nfs/dbraw/zinc/08/69/98/384086998.db2.gz GXPZLURWSOTXLW-VIFPVBQESA-N 0 3 239.323 0.169 20 0 BCADHN O=C(C1=CCOCC1)N1CCN2CCC1CC2 ZINC000335876089 384054549 /nfs/dbraw/zinc/05/45/49/384054549.db2.gz JMPJRRBYHPYABG-UHFFFAOYSA-N 0 3 236.315 0.640 20 0 BCADHN CC[C@H]1CN(CCC(=O)NC(N)=O)CCS1 ZINC000076072374 384056291 /nfs/dbraw/zinc/05/62/91/384056291.db2.gz VSNULQBEGGGWNZ-QMMMGPOBSA-N 0 3 245.348 0.399 20 0 BCADHN COc1ccnc(C(=O)N2CCN[C@H](C)[C@@H]2C)c1 ZINC000648128005 384057754 /nfs/dbraw/zinc/05/77/54/384057754.db2.gz ZXZXVTFFSVBIDW-ZJUUUORDSA-N 0 3 249.314 0.913 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc(F)cn1 ZINC000227387984 384060989 /nfs/dbraw/zinc/06/09/89/384060989.db2.gz QGOWSGVAGISCMF-ZETCQYMHSA-N 0 3 213.212 0.133 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)CC(C)(C)C ZINC000332513422 384069189 /nfs/dbraw/zinc/06/91/89/384069189.db2.gz YOGNSDWVSKGEPF-QMMMGPOBSA-N 0 3 235.349 0.924 20 0 BCADHN CSCC[C@@H](N)C(=O)N1CC[C@@H](C)C1 ZINC000077558959 384069878 /nfs/dbraw/zinc/06/98/78/384069878.db2.gz RMZVONHQBUBXLI-RKDXNWHRSA-N 0 3 216.350 0.935 20 0 BCADHN CCN(C)CCNCc1ccc(CO)o1 ZINC000077897992 384070716 /nfs/dbraw/zinc/07/07/16/384070716.db2.gz RSGUWYPLUSVJSV-UHFFFAOYSA-N 0 3 212.293 0.813 20 0 BCADHN CN(C[C@H]1CCCO1)C1(C(N)=O)CCCC1 ZINC000408088850 134389848 /nfs/dbraw/zinc/38/98/48/134389848.db2.gz LFPKYGKYECCZBZ-SNVBAGLBSA-N 0 3 226.320 0.895 20 0 BCADHN C[C@@H](NC[C@]1(O)CCOC1)c1ccncc1 ZINC000090848852 384078376 /nfs/dbraw/zinc/07/83/76/384078376.db2.gz GFGXAWKRQBGWMM-ZYHUDNBSSA-N 0 3 222.288 0.884 20 0 BCADHN C[C@H](NC[C@@]1(O)CCOC1)c1cccnc1 ZINC000090848857 384079206 /nfs/dbraw/zinc/07/92/06/384079206.db2.gz OZMJTFLMZRBKQM-JQWIXIFHSA-N 0 3 222.288 0.884 20 0 BCADHN CCC[C@H](N)C(=O)N1CCOC[C@@H](C)C1 ZINC000371570062 384081560 /nfs/dbraw/zinc/08/15/60/384081560.db2.gz MWHBUCXNMQGIQA-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN CCN(CCC(=O)OC)CCn1cccn1 ZINC000050053617 384105684 /nfs/dbraw/zinc/10/56/84/384105684.db2.gz BNSLRNXHSQBIBJ-UHFFFAOYSA-N 0 3 225.292 0.768 20 0 BCADHN COC(=O)CCCN(C)CCn1cccn1 ZINC000050065064 384106179 /nfs/dbraw/zinc/10/61/79/384106179.db2.gz QHAULGOELBPOCX-UHFFFAOYSA-N 0 3 225.292 0.768 20 0 BCADHN CC[C@H](N[C@@H]1CCCC[C@H]1OC)C(N)=O ZINC000309140171 384107758 /nfs/dbraw/zinc/10/77/58/384107758.db2.gz GXUKNEJVQGWIAY-IVZWLZJFSA-N 0 3 214.309 0.798 20 0 BCADHN O=C1[N-]C(=O)C2(CC[NH+](C3CCCC3)CC2)N1 ZINC000336552436 384110680 /nfs/dbraw/zinc/11/06/80/384110680.db2.gz BXABTBBBEWMXGA-UHFFFAOYSA-N 0 3 237.303 0.603 20 0 BCADHN CCN(C)CCNC(=O)NCc1cncn1C ZINC000291182762 384114439 /nfs/dbraw/zinc/11/44/39/384114439.db2.gz HLNHCHHWXZYMII-UHFFFAOYSA-N 0 3 239.323 0.171 20 0 BCADHN Cc1ccc(NC(=O)C[C@H]2CNCCO2)nc1 ZINC000091299227 384115132 /nfs/dbraw/zinc/11/51/32/384115132.db2.gz PVCLWEAVXHPRFM-JTQLQIEISA-N 0 3 235.287 0.707 20 0 BCADHN C[C@@H](NC(=O)C[C@@H]1CNCCO1)c1ccccn1 ZINC000091299409 384116076 /nfs/dbraw/zinc/11/60/76/384116076.db2.gz DDNHNIXCFAKHSR-GHMZBOCLSA-N 0 3 249.314 0.637 20 0 BCADHN Cc1ccncc1NC(=O)C[C@@H]1CNCCO1 ZINC000091312165 384116964 /nfs/dbraw/zinc/11/69/64/384116964.db2.gz XLWMMIIJBMWBIF-SNVBAGLBSA-N 0 3 235.287 0.707 20 0 BCADHN CN(C)S(=O)(=O)[C@H]1CCCN(CC2CC2)C1 ZINC000335895767 384092400 /nfs/dbraw/zinc/09/24/00/384092400.db2.gz HSSHOMAFWZSAGZ-NSHDSACASA-N 0 3 246.376 0.752 20 0 BCADHN CC(C)[C@H](N)c1cn(CCn2ccnc2)nn1 ZINC000302253183 384117629 /nfs/dbraw/zinc/11/76/29/384117629.db2.gz AMRFTBZLLHSWAK-NSHDSACASA-N 0 3 234.307 0.831 20 0 BCADHN COC[C@@H](O)CNCc1ccccc1OC ZINC000070558611 384119041 /nfs/dbraw/zinc/11/90/41/384119041.db2.gz QFYUHXXGKCEEOA-NSHDSACASA-N 0 3 225.288 0.792 20 0 BCADHN C[C@@H](Cn1cccn1)N[C@H]1CCN(C)C1=O ZINC000070583155 384122732 /nfs/dbraw/zinc/12/27/32/384122732.db2.gz XJDOJKKWNFTRSN-UWVGGRQHSA-N 0 3 222.292 0.092 20 0 BCADHN C[NH+](C)CCC[N-]S(=O)(=O)c1cccs1 ZINC000005659109 384125581 /nfs/dbraw/zinc/12/55/81/384125581.db2.gz PNPPOXIDFRWDOH-UHFFFAOYSA-N 0 3 248.373 0.978 20 0 BCADHN Cc1nccn1CCNCc1ccnn1C ZINC000070797703 384137780 /nfs/dbraw/zinc/13/77/80/384137780.db2.gz KPKHSRAZHQMNEU-UHFFFAOYSA-N 0 3 219.292 0.715 20 0 BCADHN CCN(C(=O)[C@H](C(C)C)N(C)C)[C@H](C)CO ZINC000358789471 384157815 /nfs/dbraw/zinc/15/78/15/384157815.db2.gz PAHCKFNEJKRBAG-MNOVXSKESA-N 0 3 230.352 0.802 20 0 BCADHN NC(=O)NC1CCN(C[C@@H]2CCCCO2)CC1 ZINC000079466166 384149056 /nfs/dbraw/zinc/14/90/56/384149056.db2.gz TUGHUZFEJBTNSV-NSHDSACASA-N 0 3 241.335 0.688 20 0 BCADHN COC[C@@H](O)CN[C@@H]1CCc2c1cccc2O ZINC000071263910 384156800 /nfs/dbraw/zinc/15/68/00/384156800.db2.gz LRYMBPJYFFIWLI-JOYOIKCWSA-N 0 3 237.299 0.976 20 0 BCADHN CCC1(O)CCN([C@@H]2CCCNC2=O)CC1 ZINC000336558646 384138326 /nfs/dbraw/zinc/13/83/26/384138326.db2.gz POUHEXVNRKKNNG-SNVBAGLBSA-N 0 3 226.320 0.502 20 0 BCADHN C[C@H](CNC(=O)CN)COCc1ccccc1 ZINC000237402495 384173046 /nfs/dbraw/zinc/17/30/46/384173046.db2.gz SXRFDECNFBIEFG-LLVKDONJSA-N 0 3 236.315 0.914 20 0 BCADHN C[C@@H]1C[C@@H](NCCCS(C)(=O)=O)CO1 ZINC000401865669 384163614 /nfs/dbraw/zinc/16/36/14/384163614.db2.gz JXDDVIMZVUZMJG-RKDXNWHRSA-N 0 3 221.322 0.188 20 0 BCADHN CC(C)[C@H](CCO)NCc1ccnn1C ZINC000080205483 384164080 /nfs/dbraw/zinc/16/40/80/384164080.db2.gz DWRSNCRTDIIFBT-NSHDSACASA-N 0 3 211.309 0.917 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1cccc(C(N)=O)c1 ZINC000040854343 384166323 /nfs/dbraw/zinc/16/63/23/384166323.db2.gz ZOLYCQIQSZSWHF-SNVBAGLBSA-N 0 3 235.287 0.707 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1ccc(F)cn1 ZINC000092196409 384167806 /nfs/dbraw/zinc/16/78/06/384167806.db2.gz IQPSVWFWZJZLKO-WPRPVWTQSA-N 0 3 228.267 0.879 20 0 BCADHN C[C@H]1OCC[C@@]1(O)CNCc1ccccn1 ZINC000227981353 134396443 /nfs/dbraw/zinc/39/64/43/134396443.db2.gz ZSNNHDJQADFHSW-ZYHUDNBSSA-N 0 3 222.288 0.711 20 0 BCADHN C[C@@H](CNCc1ccc(CO)o1)N(C)C ZINC000081555533 384184825 /nfs/dbraw/zinc/18/48/25/384184825.db2.gz KCEABTAPJIPDRS-VIFPVBQESA-N 0 3 212.293 0.812 20 0 BCADHN CCC[C@@H](N)C(=O)N1CC[C@H](COC)C1 ZINC000081061591 384179448 /nfs/dbraw/zinc/17/94/48/384179448.db2.gz NUKNWPSUYOMMND-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN CS[C@H](C)C(=O)N1CCCNCC1 ZINC000237415617 384179544 /nfs/dbraw/zinc/17/95/44/384179544.db2.gz QYUWRZAXTREPHU-MRVPVSSYSA-N 0 3 202.323 0.560 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H]1CCOC1 ZINC000076674002 384201329 /nfs/dbraw/zinc/20/13/29/384201329.db2.gz MULUPQCMOHKREY-JTQLQIEISA-N 0 3 214.309 0.481 20 0 BCADHN CC1(C)CCCN(CCNC(=O)CO)C1 ZINC000408443343 384201621 /nfs/dbraw/zinc/20/16/21/384201621.db2.gz PQHPOZKNPJSWJF-UHFFFAOYSA-N 0 3 214.309 0.217 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(C)[nH]c1=O ZINC000648153825 384205292 /nfs/dbraw/zinc/20/52/92/384205292.db2.gz UXCYYFVYWAGVBJ-SSDOTTSWSA-N 0 3 209.249 0.771 20 0 BCADHN N[C@H](CC(=O)N[C@@H]1CCOC1)Cc1ccccc1 ZINC000644160146 384232368 /nfs/dbraw/zinc/23/23/68/384232368.db2.gz FTHRMOPMBVDBGI-QWHCGFSZSA-N 0 3 248.326 0.852 20 0 BCADHN CC[C@H]1CN(Cc2ccnc(N)c2)C[C@@H]1O ZINC000278841597 384232397 /nfs/dbraw/zinc/23/23/97/384232397.db2.gz KWDSQSDZZWPRNX-QWRGUYRKSA-N 0 3 221.304 0.867 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1CSCCS1 ZINC000157635466 384233078 /nfs/dbraw/zinc/23/30/78/384233078.db2.gz ZTWGJGGIPKWYML-NKWVEPMBSA-N 0 3 220.363 0.298 20 0 BCADHN Cn1cc(CNCC2CCOCC2)nn1 ZINC000082544147 384233969 /nfs/dbraw/zinc/23/39/69/384233969.db2.gz ZGAUFZUECQJHEN-UHFFFAOYSA-N 0 3 210.281 0.331 20 0 BCADHN COC(CN[C@H](C)Cn1cccn1)OC ZINC000082534538 384234458 /nfs/dbraw/zinc/23/44/58/384234458.db2.gz IDZJZRWRJUPRBY-SECBINFHSA-N 0 3 213.281 0.480 20 0 BCADHN CN(C)CC1(NCc2ccn(C)n2)CCC1 ZINC000282313374 384234844 /nfs/dbraw/zinc/23/48/44/384234844.db2.gz SMOOSWGGZOVVHX-UHFFFAOYSA-N 0 3 222.336 0.994 20 0 BCADHN C[C@@H](C(N)=O)N(C)CC1CCOCC1 ZINC000082545193 384237900 /nfs/dbraw/zinc/23/79/00/384237900.db2.gz HULQSERBNQKOBH-QMMMGPOBSA-N 0 3 200.282 0.219 20 0 BCADHN OCC[C@H]1CCCN1CCc1cnccn1 ZINC000402901851 384238085 /nfs/dbraw/zinc/23/80/85/384238085.db2.gz LWURJDOTOLTTII-GFCCVEGCSA-N 0 3 221.304 0.866 20 0 BCADHN CN(C)CCN(C)C(=O)c1cscn1 ZINC000082542290 384238901 /nfs/dbraw/zinc/23/89/01/384238901.db2.gz XICXMCQUTAFMAZ-UHFFFAOYSA-N 0 3 213.306 0.777 20 0 BCADHN Cc1cccc(C(=O)N[C@H](C)C[NH3+])c1[O-] ZINC000082577067 384240056 /nfs/dbraw/zinc/24/00/56/384240056.db2.gz YBPZNCYMRRCKMX-MRVPVSSYSA-N 0 3 208.261 0.778 20 0 BCADHN CCN(CC)CCN[C@H](C)CS(C)(=O)=O ZINC000081898815 384210379 /nfs/dbraw/zinc/21/03/79/384210379.db2.gz PHPMPJKEOPZSJT-SNVBAGLBSA-N 0 3 236.381 0.351 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCc1cscn1 ZINC000081901224 384210543 /nfs/dbraw/zinc/21/05/43/384210543.db2.gz QTYSSNMMXFCEFZ-QMMMGPOBSA-N 0 3 248.373 0.708 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCc1ccco1 ZINC000081899344 384211092 /nfs/dbraw/zinc/21/10/92/384211092.db2.gz RCSAZJCNPUHSSU-VIFPVBQESA-N 0 3 231.317 0.845 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCc1nccs1 ZINC000081901180 384211566 /nfs/dbraw/zinc/21/15/66/384211566.db2.gz VUFMRYFYDXMJGF-QMMMGPOBSA-N 0 3 248.373 0.708 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@H]1CCSC1 ZINC000081901817 384212150 /nfs/dbraw/zinc/21/21/50/384212150.db2.gz PMTLNWMQHUYGOK-YUMQZZPRSA-N 0 3 223.363 0.515 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000081899233 384212192 /nfs/dbraw/zinc/21/21/92/384212192.db2.gz WAMWBFRKBQTUNS-UTLUCORTSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CCc1cnccn1 ZINC000402887600 384214132 /nfs/dbraw/zinc/21/41/32/384214132.db2.gz CMPDSPZMIJSGCA-MWLCHTKSSA-N 0 3 207.277 0.474 20 0 BCADHN CC(C)OCCN[C@@H](C)CS(C)(=O)=O ZINC000081902983 384214651 /nfs/dbraw/zinc/21/46/51/384214651.db2.gz XWCZXKMEBYUISR-VIFPVBQESA-N 0 3 223.338 0.434 20 0 BCADHN CSCC[C@@H](N)C(=O)Nc1nncs1 ZINC000082168009 384215977 /nfs/dbraw/zinc/21/59/77/384215977.db2.gz DEYVEBNDHUMNOZ-RXMQYKEDSA-N 0 3 232.334 0.557 20 0 BCADHN CCc1ncc(NC(=O)[C@@H]2NCC2(C)C)cn1 ZINC000644155767 384221224 /nfs/dbraw/zinc/22/12/24/384221224.db2.gz JPPMURWEBXTZAK-JTQLQIEISA-N 0 3 234.303 0.976 20 0 BCADHN C[C@@H](CO)N(C)C[C@H](O)COc1ccccc1 ZINC000118952001 384221232 /nfs/dbraw/zinc/22/12/32/384221232.db2.gz NLYQURHGRUDLKI-RYUDHWBXSA-N 0 3 239.315 0.739 20 0 BCADHN CC1(O)CCN(CCc2cnccn2)CC1 ZINC000402894616 384221888 /nfs/dbraw/zinc/22/18/88/384221888.db2.gz HIOVKINEYYKGIU-UHFFFAOYSA-N 0 3 221.304 0.866 20 0 BCADHN C[NH+](C)CCNC(=O)c1cncc([O-])c1 ZINC000082303122 384222546 /nfs/dbraw/zinc/22/25/46/384222546.db2.gz VCPZKIISKUWSLY-UHFFFAOYSA-N 0 3 209.249 0.079 20 0 BCADHN C[C@H]1C[C@@H](CO)CN(CCc2cnccn2)C1 ZINC000402897357 384222515 /nfs/dbraw/zinc/22/25/15/384222515.db2.gz FNTWIXXXBGILJC-NWDGAFQWSA-N 0 3 235.331 0.969 20 0 BCADHN COCCC1(CNC(=O)[C@H]2NCC2(C)C)CC1 ZINC000644156020 384224585 /nfs/dbraw/zinc/22/45/85/384224585.db2.gz UYCAFLHYTXJQGX-SNVBAGLBSA-N 0 3 240.347 0.917 20 0 BCADHN Cc1nnc(NC(=O)[C@@H]2NCC2(C)C)n1C ZINC000644159067 384225799 /nfs/dbraw/zinc/22/57/99/384225799.db2.gz SYJQFTZBVSQLFO-ZETCQYMHSA-N 0 3 223.280 0.060 20 0 BCADHN C[C@@H]1C[C@H](CNC(=O)[C@@H]2NCC2(C)C)CCO1 ZINC000644157616 384228356 /nfs/dbraw/zinc/22/83/56/384228356.db2.gz CFZZBBFAELAFLO-MXWKQRLJSA-N 0 3 240.347 0.916 20 0 BCADHN CC(C)C[C@H](CO)NCc1cncn1C ZINC000082394430 384228456 /nfs/dbraw/zinc/22/84/56/384228456.db2.gz MNOGICZRZJZQRY-SNVBAGLBSA-N 0 3 211.309 0.917 20 0 BCADHN CC[C@@H]1C[C@@H](NC(=O)[C@@H](CN)OC)CCO1 ZINC000644164993 384243344 /nfs/dbraw/zinc/24/33/44/384243344.db2.gz WFMRCCMVSQHIDL-IVZWLZJFSA-N 0 3 230.308 0.034 20 0 BCADHN CC[C@@H]1C[C@@H](NC(=O)C2(N)CC2)CCO1 ZINC000644164942 384244046 /nfs/dbraw/zinc/24/40/46/384244046.db2.gz KXNRTORNXZWEQU-DTWKUNHWSA-N 0 3 212.293 0.552 20 0 BCADHN COC(C)(C)CNC(=O)[C@@H](N)CCSC ZINC000133416900 384246561 /nfs/dbraw/zinc/24/65/61/384246561.db2.gz AKTNYXXDRAUVQS-QMMMGPOBSA-N 0 3 234.365 0.608 20 0 BCADHN CCN(CC)S(=O)(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000069629049 384247282 /nfs/dbraw/zinc/24/72/82/384247282.db2.gz KXHDOCDEXPETJO-UWVGGRQHSA-N 0 3 249.380 0.255 20 0 BCADHN C[C@H](c1ccccc1)N(CC(N)=O)C(=O)[C@H](C)N ZINC000119208941 384248010 /nfs/dbraw/zinc/24/80/10/384248010.db2.gz KUTHOLHEFIEBKI-VHSXEESVSA-N 0 3 249.314 0.409 20 0 BCADHN CC[C@@H]1CN(CCc2cnccn2)C[C@H]1O ZINC000402919617 384249099 /nfs/dbraw/zinc/24/90/99/384249099.db2.gz QJJJSMGQHYTASC-ZYHUDNBSSA-N 0 3 221.304 0.722 20 0 BCADHN C[C@H](N[C@@H]1CO[C@H](C)C1)C(=O)N1CCCC1 ZINC000401900418 384249722 /nfs/dbraw/zinc/24/97/22/384249722.db2.gz QAUHNNARERUGSV-VWYCJHECSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@H](N)C(=O)NCCOc1ccccc1 ZINC000042897567 384250675 /nfs/dbraw/zinc/25/06/75/384250675.db2.gz IRRNVMLLJNFXMI-NSHDSACASA-N 0 3 222.288 0.919 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N1CCNCC1 ZINC000082652453 384251305 /nfs/dbraw/zinc/25/13/05/384251305.db2.gz HUPNWUGAQMUASO-LLVKDONJSA-N 0 3 225.336 0.293 20 0 BCADHN Cc1ccc(NC(=O)[C@H](C)N)cc1C(=O)N(C)C ZINC000119272818 384252477 /nfs/dbraw/zinc/25/24/77/384252477.db2.gz WWTWMROZUCNOGQ-VIFPVBQESA-N 0 3 249.314 0.983 20 0 BCADHN CC[C@@](C)(CN[C@H]1CCC(=O)N(C)C1=O)OC ZINC000319542169 384253110 /nfs/dbraw/zinc/25/31/10/384253110.db2.gz BISHQBNAIRFRGS-CABZTGNLSA-N 0 3 242.319 0.539 20 0 BCADHN Cc1ccc(N2CCN3CC[C@H]2C3)nn1 ZINC000394736030 384256765 /nfs/dbraw/zinc/25/67/65/384256765.db2.gz JNINZQGDXGAKKQ-JTQLQIEISA-N 0 3 204.277 0.679 20 0 BCADHN Cn1cncc1CN[C@H]1CCCC[C@@H]1O ZINC000082717532 384259903 /nfs/dbraw/zinc/25/99/03/384259903.db2.gz NALCAFMIAJBLEN-QWRGUYRKSA-N 0 3 209.293 0.813 20 0 BCADHN Cn1cncc1CN[C@@H](CO)C(C)(C)C ZINC000278861602 384260196 /nfs/dbraw/zinc/26/01/96/384260196.db2.gz RZNKIKBRPRWPGJ-JTQLQIEISA-N 0 3 211.309 0.917 20 0 BCADHN OCCN(CCc1cnccn1)C1CC1 ZINC000402930287 384261101 /nfs/dbraw/zinc/26/11/01/384261101.db2.gz SHCAGPPZEIWUFU-UHFFFAOYSA-N 0 3 207.277 0.476 20 0 BCADHN CN(C[C@@H]1CCCO1)CC(C)(CO)CO ZINC000133763391 384264635 /nfs/dbraw/zinc/26/46/35/384264635.db2.gz BGMOYNJUXUCWFI-JTQLQIEISA-N 0 3 217.309 0.088 20 0 BCADHN COC(=O)CCNC(=O)CN1CC[C@@H](C)[C@@H]1C ZINC000248337993 384273200 /nfs/dbraw/zinc/27/32/00/384273200.db2.gz HPTDKJHWFSLDFK-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN COCC1(CCNC(=O)[C@H](C)N)CC1 ZINC000564657466 384275977 /nfs/dbraw/zinc/27/59/77/384275977.db2.gz GQMLIMPJNLFNIE-QMMMGPOBSA-N 0 3 200.282 0.267 20 0 BCADHN CCC(O)(CC)CN[C@@H](C)CS(C)(=O)=O ZINC000083463867 384306069 /nfs/dbraw/zinc/30/60/69/384306069.db2.gz AYGZSGLFDGVLCQ-VIFPVBQESA-N 0 3 237.365 0.560 20 0 BCADHN O=C(C[C@@H]1CCCO1)N1CCCNCC1 ZINC000083521661 384308878 /nfs/dbraw/zinc/30/88/78/384308878.db2.gz IGZGSEAEIAQOBU-JTQLQIEISA-N 0 3 212.293 0.377 20 0 BCADHN CCS(=O)(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000083551085 384310739 /nfs/dbraw/zinc/31/07/39/384310739.db2.gz NPNWOSBRCIZNGF-VHSXEESVSA-N 0 3 232.349 0.505 20 0 BCADHN CCN(CC)C(=O)CN[C@@H](CO)C1CCCC1 ZINC000352707128 384314415 /nfs/dbraw/zinc/31/44/15/384314415.db2.gz QGKXCWMGEMDGPE-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](NC(=O)CN)c1cn(-c2ccccc2)nn1 ZINC000237623706 384317168 /nfs/dbraw/zinc/31/71/68/384317168.db2.gz MJADBHFJWWWTDC-VIFPVBQESA-N 0 3 245.286 0.403 20 0 BCADHN O=S1(=O)CCC[C@@H](NCCC2(O)CCC2)C1 ZINC000332498632 384319962 /nfs/dbraw/zinc/31/99/62/384319962.db2.gz VDTQZGGHJDZPSC-SNVBAGLBSA-N 0 3 247.360 0.458 20 0 BCADHN CCN(CCO)CCn1c(C)csc1=O ZINC000119998100 384320986 /nfs/dbraw/zinc/32/09/86/384320986.db2.gz TXSLNQYIDIUTEL-UHFFFAOYSA-N 0 3 230.333 0.532 20 0 BCADHN CO[C@H]1CCN(C[C@H](O)COC(C)C)C1 ZINC000300042437 384281514 /nfs/dbraw/zinc/28/15/14/384281514.db2.gz PMRMFSOKVZIIBL-QWRGUYRKSA-N 0 3 217.309 0.493 20 0 BCADHN C[C@H](CO)N(C)Cc1ccc(C(N)=O)cc1 ZINC000158871263 384282117 /nfs/dbraw/zinc/28/21/17/384282117.db2.gz BOQHDFKMCDJPAG-SECBINFHSA-N 0 3 222.288 0.598 20 0 BCADHN C[C@@H](CO)N(C)Cc1cccc(C(N)=O)c1 ZINC000158880608 384283555 /nfs/dbraw/zinc/28/35/55/384283555.db2.gz BNVPSWNEOGIWAJ-VIFPVBQESA-N 0 3 222.288 0.598 20 0 BCADHN CN(CCN1C(=O)CCC1=O)C1CCC1 ZINC000173913564 384284553 /nfs/dbraw/zinc/28/45/53/384284553.db2.gz RIKTZUHRUBCNCD-UHFFFAOYSA-N 0 3 210.277 0.620 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCCC[C@H](C)C1 ZINC000187941281 384285018 /nfs/dbraw/zinc/28/50/18/384285018.db2.gz VVHOVRKUSODOBQ-IUCAKERBSA-N 0 3 227.308 0.692 20 0 BCADHN CCN(C)C(=O)CNCCCc1cnn(C)c1 ZINC000314725524 384293686 /nfs/dbraw/zinc/29/36/86/384293686.db2.gz OGJLOVJYFHRANV-UHFFFAOYSA-N 0 3 238.335 0.421 20 0 BCADHN CSC[C@@H](O)CN1CCC[C@@H](NC(C)=O)C1 ZINC000187830937 384321762 /nfs/dbraw/zinc/32/17/62/384321762.db2.gz HIIKHWSHLIKPEN-MNOVXSKESA-N 0 3 246.376 0.311 20 0 BCADHN CC[C@@H](NC(=O)[C@H](C)N)c1ccncc1 ZINC000168702247 384295013 /nfs/dbraw/zinc/29/50/13/384295013.db2.gz IRPCIUGWABODAN-WCBMZHEXSA-N 0 3 207.277 0.996 20 0 BCADHN C[C@@H](NC(=O)CN)c1ccc2c(c1)OCO2 ZINC000034979701 384295588 /nfs/dbraw/zinc/29/55/88/384295588.db2.gz LCCMLLSSPUPCCZ-SSDOTTSWSA-N 0 3 222.244 0.551 20 0 BCADHN COC[C@@H](N[C@H](C)C(=O)N(C)C)C(C)C ZINC000083399681 384296399 /nfs/dbraw/zinc/29/63/99/384296399.db2.gz YGISXOMCJLVWCM-NXEZZACHSA-N 0 3 216.325 0.724 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443322859 384296456 /nfs/dbraw/zinc/29/64/56/384296456.db2.gz AAVAPLGRWGBPTE-SDDRHHMPSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@H](N)C(=O)NCc1cc(F)cc(F)c1 ZINC000083347700 384298944 /nfs/dbraw/zinc/29/89/44/384298944.db2.gz KJNZDDJINONGKI-LURJTMIESA-N 0 3 214.215 0.928 20 0 BCADHN CN(C)CCNC(=O)c1ccc2c(c1)ncn2C ZINC000074705421 384299773 /nfs/dbraw/zinc/29/97/73/384299773.db2.gz GRCITJZALHOJEF-UHFFFAOYSA-N 0 3 246.314 0.865 20 0 BCADHN C[C@@H]1C[C@@H](Nc2cncc(C(N)=O)n2)CCN1C ZINC000426901211 384303720 /nfs/dbraw/zinc/30/37/20/384303720.db2.gz PSOLUBOMSLSDHK-BDAKNGLRSA-N 0 3 249.318 0.470 20 0 BCADHN COC(C)(C)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000335570381 384335056 /nfs/dbraw/zinc/33/50/56/384335056.db2.gz MSMUSJOYVFFHSL-CYBMUJFWSA-N 0 3 240.347 0.966 20 0 BCADHN NC1(C(=O)NCCc2cscn2)CC1 ZINC000083836224 384335919 /nfs/dbraw/zinc/33/59/19/384335919.db2.gz XMVLLSCLMOMEFB-UHFFFAOYSA-N 0 3 211.290 0.293 20 0 BCADHN COCC1CCN(C(=O)C2(N)CC2)CC1 ZINC000083836262 384336159 /nfs/dbraw/zinc/33/61/59/384336159.db2.gz RSVUMSVJOHEWGU-UHFFFAOYSA-N 0 3 212.293 0.363 20 0 BCADHN C[C@H](NCCc1cn(C)nn1)c1cnn(C)c1 ZINC000647323587 384336681 /nfs/dbraw/zinc/33/66/81/384336681.db2.gz BTVYLBYODXZDMI-VIFPVBQESA-N 0 3 234.307 0.442 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@@H](CO)C1CC1 ZINC000359655484 384338656 /nfs/dbraw/zinc/33/86/56/384338656.db2.gz ULAXROVAXDOJOV-KOLCDFICSA-N 0 3 243.351 0.254 20 0 BCADHN CN1C(=O)CC[C@H](N[C@H]2COC(C)(C)C2)C1=O ZINC000334055785 384339292 /nfs/dbraw/zinc/33/92/92/384339292.db2.gz VDLGZVJKSZOFGC-BDAKNGLRSA-N 0 3 240.303 0.291 20 0 BCADHN Cn1ccc(NC(=O)[C@]2(C)CCCCN2)n1 ZINC000159558974 384340005 /nfs/dbraw/zinc/34/00/05/384340005.db2.gz FJKNUGMOOMYION-NSHDSACASA-N 0 3 222.292 0.891 20 0 BCADHN C[C@H]1OCC[C@@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000134259053 384343062 /nfs/dbraw/zinc/34/30/62/384343062.db2.gz UOCKZEWPFGYYAR-WXHSDQCUSA-N 0 3 248.326 0.850 20 0 BCADHN CC(C)(C)c1nnc(CNC(=O)CN)s1 ZINC000083938672 384343861 /nfs/dbraw/zinc/34/38/61/384343861.db2.gz IFDPBMKLSUUHED-UHFFFAOYSA-N 0 3 228.321 0.411 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000533473878 384348774 /nfs/dbraw/zinc/34/87/74/384348774.db2.gz FNRHBQYKDRYQBU-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@H](C)C[C@H](C)NC(=O)[C@H](CN)OC ZINC000300377503 384360057 /nfs/dbraw/zinc/36/00/57/384360057.db2.gz QOSTUKMCPAQLBT-GUBZILKMSA-N 0 3 216.325 0.901 20 0 BCADHN CC1(C)[C@@H](O)CCN1C[C@H](O)C(F)(F)F ZINC000335598836 384363416 /nfs/dbraw/zinc/36/34/16/384363416.db2.gz WWDHAVSMLYUKLG-BQBZGAKWSA-N 0 3 227.226 0.755 20 0 BCADHN CC[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(N)=O ZINC000300368079 384364922 /nfs/dbraw/zinc/36/49/22/384364922.db2.gz ORQNRLCNVHJPHK-AEJSXWLSSA-N 0 3 212.293 0.407 20 0 BCADHN C[C@@H](C(N)=O)N(C)CCC1CCOCC1 ZINC000120623823 384367089 /nfs/dbraw/zinc/36/70/89/384367089.db2.gz OGEOYHQBSIUYLS-VIFPVBQESA-N 0 3 214.309 0.609 20 0 BCADHN C[C@@H](CCS(C)(=O)=O)NCC1=CCCOC1 ZINC000330364494 384368697 /nfs/dbraw/zinc/36/86/97/384368697.db2.gz PNZYSAXSCAYWCE-JTQLQIEISA-N 0 3 247.360 0.746 20 0 BCADHN Cn1cncc1CN[C@@]1(CCO)CCOC1 ZINC000330364461 384370465 /nfs/dbraw/zinc/37/04/65/384370465.db2.gz OWHILVKYOUXYRB-NSHDSACASA-N 0 3 225.292 0.051 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1ccccn1 ZINC000082278735 384324975 /nfs/dbraw/zinc/32/49/75/384324975.db2.gz ZFQQYOAXYCLNKB-SNVBAGLBSA-N 0 3 219.288 0.906 20 0 BCADHN O=C(c1nc[nH]n1)N1CC[C@H](N2CCCCC2)C1 ZINC000095042308 384328972 /nfs/dbraw/zinc/32/89/72/384328972.db2.gz KHYOBDNULPELNX-JTQLQIEISA-N 0 3 249.318 0.505 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000335570801 384333491 /nfs/dbraw/zinc/33/34/91/384333491.db2.gz JIONGFKSEPOKNO-ZYHUDNBSSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@H](NC(=O)C1(N)CC1)c1cccnc1 ZINC000083834200 384334933 /nfs/dbraw/zinc/33/49/33/384334933.db2.gz GRPOSQQLMLUGQL-QMMMGPOBSA-N 0 3 205.261 0.750 20 0 BCADHN C[C@]1(CNC(=O)[C@@H](N)C2CCC2)CCCO1 ZINC000331591230 384393192 /nfs/dbraw/zinc/39/31/92/384393192.db2.gz MUTFGIIPSNQFIV-CMPLNLGQSA-N 0 3 226.320 0.799 20 0 BCADHN C[C@@]1(CNC(=O)[C@H](N)C2CCC2)CCCO1 ZINC000331591235 384393253 /nfs/dbraw/zinc/39/32/53/384393253.db2.gz MUTFGIIPSNQFIV-PWSUYJOCSA-N 0 3 226.320 0.799 20 0 BCADHN CCc1nn(C)cc1NC(=O)[C@H]1NCC1(C)C ZINC000648174628 384397690 /nfs/dbraw/zinc/39/76/90/384397690.db2.gz ULEQRIOBLIBKCD-SNVBAGLBSA-N 0 3 236.319 0.919 20 0 BCADHN CCN(C)CCNC(=O)c1cccc(=O)n1C ZINC000121085875 384399215 /nfs/dbraw/zinc/39/92/15/384399215.db2.gz LBRMQJVVAKEMBV-UHFFFAOYSA-N 0 3 237.303 0.067 20 0 BCADHN CCNC(=O)CC(=O)Nc1ccc2c(c1)CNC2 ZINC000564996351 384403213 /nfs/dbraw/zinc/40/32/13/384403213.db2.gz SCJLSHXFHVKHJN-UHFFFAOYSA-N 0 3 247.298 0.755 20 0 BCADHN CCc1cc(C(=O)N2CC(N(C)C)C2)n[nH]1 ZINC000134994883 384407592 /nfs/dbraw/zinc/40/75/92/384407592.db2.gz GHEXTEJGSGCART-UHFFFAOYSA-N 0 3 222.292 0.358 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCc1cccc(C(N)=O)c1 ZINC000077420656 384409213 /nfs/dbraw/zinc/40/92/13/384409213.db2.gz FEIQJLCBUNDNCQ-VHSXEESVSA-N 0 3 236.315 0.892 20 0 BCADHN CO[C@H](CN1C[C@@H](O)[C@@H](O)C1)c1ccccc1 ZINC000330445752 384410973 /nfs/dbraw/zinc/41/09/73/384410973.db2.gz RAPAXJRQCPDNHV-FRRDWIJNSA-N 0 3 237.299 0.412 20 0 BCADHN NC(=O)[C@H]1CCCN(c2ccncc2)C1 ZINC000095934254 384413104 /nfs/dbraw/zinc/41/31/04/384413104.db2.gz MQKBBMCKJIUBTF-VIFPVBQESA-N 0 3 205.261 0.783 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCc1ccco1 ZINC000035661790 384414294 /nfs/dbraw/zinc/41/42/94/384414294.db2.gz WWBIQDDUXAQSTR-SNVBAGLBSA-N 0 3 210.277 0.922 20 0 BCADHN CN(C[C@H]1CCCO1)C(=O)[C@H](N)C1CCC1 ZINC000331652747 384416201 /nfs/dbraw/zinc/41/62/01/384416201.db2.gz WWVBXSXEUAPUAU-GHMZBOCLSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H](NCC(=O)N(C)C)[C@@H]1CCCO1 ZINC000035735896 384416693 /nfs/dbraw/zinc/41/66/93/384416693.db2.gz BBFIBHPTCKHWAQ-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCO ZINC000448019199 384427217 /nfs/dbraw/zinc/42/72/17/384427217.db2.gz UPIFRLGXYYYZAK-JTQLQIEISA-N 0 3 243.351 0.398 20 0 BCADHN Cc1cncc(N2CCCN(CCO)CC2)n1 ZINC000359705472 384421088 /nfs/dbraw/zinc/42/10/88/384421088.db2.gz GHHIWEARZMNAFJ-UHFFFAOYSA-N 0 3 236.319 0.289 20 0 BCADHN CCN(C[C@@H](C)OC)[C@@H]1CCCN(C)C1=O ZINC000556509357 384421290 /nfs/dbraw/zinc/42/12/90/384421290.db2.gz QXUVRFXLMKMQNM-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@H](CC1CC1)NC(=O)[C@@]1(F)CCNC1 ZINC000158179351 384378328 /nfs/dbraw/zinc/37/83/28/384378328.db2.gz JFFFETALXPZNGP-LDYMZIIASA-N 0 3 214.284 0.993 20 0 BCADHN Cc1cc(CNC[C@H](C)N(C)C)n(C)n1 ZINC000084244320 384383424 /nfs/dbraw/zinc/38/34/24/384383424.db2.gz RYIBXWIBAMPKFV-JTQLQIEISA-N 0 3 210.325 0.768 20 0 BCADHN C[C@@H](C(N)=O)N1CCC2(C1)CCOCC2 ZINC000308909133 384384843 /nfs/dbraw/zinc/38/48/43/384384843.db2.gz FXWYYOOUWNLCCM-VIFPVBQESA-N 0 3 212.293 0.363 20 0 BCADHN O=S1(=O)CCCC[C@@H]1CN[C@@H]1CCOC1 ZINC000308961704 384387969 /nfs/dbraw/zinc/38/79/69/384387969.db2.gz ZONTWZKDWUYJPN-NXEZZACHSA-N 0 3 233.333 0.332 20 0 BCADHN Cc1cnc(C(C)(C)NC(=O)CN)s1 ZINC000237799620 384389128 /nfs/dbraw/zinc/38/91/28/384389128.db2.gz AZPGKVTXWUQATK-UHFFFAOYSA-N 0 3 213.306 0.762 20 0 BCADHN C[C@@]1(C(=O)N2CCNC(C)(C)C2)C[C@H]1F ZINC000335617788 384391221 /nfs/dbraw/zinc/39/12/21/384391221.db2.gz MUQCXKAAKGWKCZ-LDYMZIIASA-N 0 3 214.284 0.945 20 0 BCADHN C[C@H](NC(=O)[C@H](N)C1CCC1)[C@@H]1CCCO1 ZINC000331552678 384391233 /nfs/dbraw/zinc/39/12/33/384391233.db2.gz HZLWYKFQAHFHEB-INTQDDNPSA-N 0 3 226.320 0.798 20 0 BCADHN Cc1ccncc1CNCCC(=O)N(C)C ZINC000135451683 384446395 /nfs/dbraw/zinc/44/63/95/384446395.db2.gz VYRKQBBBFYHQMQ-UHFFFAOYSA-N 0 3 221.304 0.958 20 0 BCADHN Cc1c(CNCCC(=O)NC(C)C)cnn1C ZINC000135469320 384447431 /nfs/dbraw/zinc/44/74/31/384447431.db2.gz NBBZHTDLWIIIIC-UHFFFAOYSA-N 0 3 238.335 0.733 20 0 BCADHN CC(C)N(C)C(=O)CNC(C)(C)C(C)(C)O ZINC000229166325 384447841 /nfs/dbraw/zinc/44/78/41/384447841.db2.gz LARZCZZWAGWZLE-UHFFFAOYSA-N 0 3 230.352 0.992 20 0 BCADHN O=C(N[C@@H]1CC12CC2)[C@@H]1CNCCC1(F)F ZINC000648179858 384451224 /nfs/dbraw/zinc/45/12/24/384451224.db2.gz CXIAJSFBKCKFGQ-JGVFFNPUSA-N 0 3 230.258 0.900 20 0 BCADHN CN(C)CCNC(=O)CC[C@H]1CCOC1 ZINC000175518743 384451499 /nfs/dbraw/zinc/45/14/99/384451499.db2.gz SXKFSZFOYOZPFB-JTQLQIEISA-N 0 3 214.309 0.481 20 0 BCADHN O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1CCCCN1 ZINC000163768709 384453580 /nfs/dbraw/zinc/45/35/80/384453580.db2.gz DFLXNTYHLYSUJH-AXFHLTTASA-N 0 3 226.320 0.548 20 0 BCADHN Cc1csc(=O)n1CCN(CCO)C(C)C ZINC000078689119 384456254 /nfs/dbraw/zinc/45/62/54/384456254.db2.gz DFIIFSYBBQCAAU-UHFFFAOYSA-N 0 3 244.360 0.921 20 0 BCADHN C[C@H](NCCCc1ncn(C)n1)c1ccn(C)n1 ZINC000647328279 384428715 /nfs/dbraw/zinc/42/87/15/384428715.db2.gz PTEFTDXRWBBAEH-JTQLQIEISA-N 0 3 248.334 0.832 20 0 BCADHN COCCCN(CCOC)C(=O)C1(N)CCC1 ZINC000147998131 384456889 /nfs/dbraw/zinc/45/68/89/384456889.db2.gz QLCWWXQCZDDCSN-UHFFFAOYSA-N 0 3 244.335 0.379 20 0 BCADHN COCC(=O)NC[C@H]1CCCN(C)C1 ZINC000082605259 384435123 /nfs/dbraw/zinc/43/51/23/384435123.db2.gz AQWQMRANNSOQMA-SECBINFHSA-N 0 3 200.282 0.091 20 0 BCADHN CN(CC1(O)CCCCCC1)[C@@H]1COC[C@@H]1O ZINC000361377047 384439829 /nfs/dbraw/zinc/43/98/29/384439829.db2.gz HRQACEDIFJKSHS-NEPJUHHUSA-N 0 3 243.347 0.763 20 0 BCADHN Cn1ccnc1CNC(=O)[C@]1(C)CCCCN1 ZINC000136207753 384485266 /nfs/dbraw/zinc/48/52/66/384485266.db2.gz IKBUGRWSBCOWRQ-LBPRGKRZSA-N 0 3 236.319 0.569 20 0 BCADHN COC(=O)c1ccc(CNCC(C)(C)O)o1 ZINC000078779733 384465092 /nfs/dbraw/zinc/46/50/92/384465092.db2.gz MEPOCQGRVJWYIW-UHFFFAOYSA-N 0 3 227.260 0.927 20 0 BCADHN C[C@@H]1NCCN(C(=O)Cc2ccncc2)[C@H]1C ZINC000335662302 384467849 /nfs/dbraw/zinc/46/78/49/384467849.db2.gz IPQPYIXBYAWARD-QWRGUYRKSA-N 0 3 233.315 0.833 20 0 BCADHN C[C@H](CO)CNCc1ccnn1-c1ccccn1 ZINC000647175128 384471225 /nfs/dbraw/zinc/47/12/25/384471225.db2.gz ZADTWTGPYLKKTG-NSHDSACASA-N 0 3 246.314 0.985 20 0 BCADHN CN(C[C@@H](O)CNCC(C)(F)F)C1CC1 ZINC000569595218 384474640 /nfs/dbraw/zinc/47/46/40/384474640.db2.gz HRNGQZVEWNSYKY-VIFPVBQESA-N 0 3 222.279 0.686 20 0 BCADHN C[C@@H](O)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000136081124 384478494 /nfs/dbraw/zinc/47/84/94/384478494.db2.gz SJHVTBKTWKEXIN-PWSUYJOCSA-N 0 3 236.315 0.786 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cncn1C ZINC000335664181 384480840 /nfs/dbraw/zinc/48/08/40/384480840.db2.gz WPOXQGSIMBXEGU-DTWKUNHWSA-N 0 3 222.292 0.243 20 0 BCADHN C[C@@H](CNC(=O)c1cccc(=O)[nH]1)N(C)C1CC1 ZINC000229980316 384484031 /nfs/dbraw/zinc/48/40/31/384484031.db2.gz VYXUXIXQDJRNRN-VIFPVBQESA-N 0 3 249.314 0.587 20 0 BCADHN COC[C@@H](C)CNCc1cncnc1OC ZINC000647175798 384484380 /nfs/dbraw/zinc/48/43/80/384484380.db2.gz HBKTWSGLXNAIIG-VIFPVBQESA-N 0 3 225.292 0.857 20 0 BCADHN Cn1nccc1CNC(=O)[C@]1(C)CCCCN1 ZINC000136169162 384484364 /nfs/dbraw/zinc/48/43/64/384484364.db2.gz DROKNNTYWJPDNF-LBPRGKRZSA-N 0 3 236.319 0.569 20 0 BCADHN Cc1ccc(CNC[C@@H](O)CO)c(C)c1 ZINC000085246367 384511406 /nfs/dbraw/zinc/51/14/06/384511406.db2.gz DJGCXSCDMKTSSN-GFCCVEGCSA-N 0 3 209.289 0.746 20 0 BCADHN CN(CCNc1nccn2cnnc12)C1CC1 ZINC000079470100 384498282 /nfs/dbraw/zinc/49/82/82/384498282.db2.gz YFENHLALGSDDFN-UHFFFAOYSA-N 0 3 232.291 0.630 20 0 BCADHN CN1CCC(Nc2nccn3cnnc23)CC1 ZINC000079468056 384498649 /nfs/dbraw/zinc/49/86/49/384498649.db2.gz HLCYURCUNYVTOW-UHFFFAOYSA-N 0 3 232.291 0.630 20 0 BCADHN CCN(CC)CC(=O)NC1(CCO)CC1 ZINC000356412062 384503993 /nfs/dbraw/zinc/50/39/93/384503993.db2.gz DQBWYXRBHCPBHR-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCC(=O)OC(C)C ZINC000150780930 384506708 /nfs/dbraw/zinc/50/67/08/384506708.db2.gz FYDJTBFYRGUUTQ-JTQLQIEISA-N 0 3 244.335 0.818 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000122768011 384509131 /nfs/dbraw/zinc/50/91/31/384509131.db2.gz LUORVTMGBDJZKN-HNXYORABSA-N 0 3 216.284 0.788 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1CCO ZINC000249525149 384510766 /nfs/dbraw/zinc/51/07/66/384510766.db2.gz XTKUJLJHDCKWGX-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN COC(=O)CCN1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000249114680 384490965 /nfs/dbraw/zinc/49/09/65/384490965.db2.gz RSZNARNRAJOSOC-VHSXEESVSA-N 0 3 243.303 0.681 20 0 BCADHN COC[C@@H](C)N(C)C(=O)[C@H](N)C(C)C ZINC000037815698 384535812 /nfs/dbraw/zinc/53/58/12/384535812.db2.gz GIZKETLKUGJUPS-RKDXNWHRSA-N 0 3 202.298 0.463 20 0 BCADHN CCCC(=O)N[C@@H]1CCCN(C[C@H](C)O)C1 ZINC000249637736 384514674 /nfs/dbraw/zinc/51/46/74/384514674.db2.gz XBHADQIMHPZHPG-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@H](O)[C@@H]1CCCN(CCn2cncn2)C1 ZINC000533538762 384520157 /nfs/dbraw/zinc/52/01/57/384520157.db2.gz FEACZEQZLBZPKY-WDEREUQCSA-N 0 3 224.308 0.371 20 0 BCADHN CC[C@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000150903232 384522851 /nfs/dbraw/zinc/52/28/51/384522851.db2.gz WRIMNCWFSNIXNM-ONGXEEELSA-N 0 3 230.283 0.325 20 0 BCADHN C[C@H](O)CN[C@H]1CCCc2c1cnn2CCO ZINC000647519696 384524395 /nfs/dbraw/zinc/52/43/95/384524395.db2.gz UINVAGCNAYESNF-ONGXEEELSA-N 0 3 239.319 0.223 20 0 BCADHN COC(=O)[C@](C)(O)CN1CC[C@H](C)[C@H](OC)C1 ZINC000300005724 384526947 /nfs/dbraw/zinc/52/69/47/384526947.db2.gz LOSGKQXRNDBZJA-HOSYDEDBSA-N 0 3 245.319 0.267 20 0 BCADHN C[C@@H](CNCc1ccnc(N(C)C)n1)N(C)C ZINC000449556389 384527744 /nfs/dbraw/zinc/52/77/44/384527744.db2.gz LZZKYFLQCSVHJB-JTQLQIEISA-N 0 3 237.351 0.582 20 0 BCADHN C[C@H](O)C1CCN(CCn2ccnc2)CC1 ZINC000161792491 384528047 /nfs/dbraw/zinc/52/80/47/384528047.db2.gz PQLKOGDXIWRUIJ-NSHDSACASA-N 0 3 223.320 0.976 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H](CO)c1ccccc1 ZINC000123150576 384536533 /nfs/dbraw/zinc/53/65/33/384536533.db2.gz OHOQOMMLQOINQV-ONGXEEELSA-N 0 3 222.288 0.574 20 0 BCADHN COc1ncncc1CN[C@@H]1CCN(C2CC2)C1 ZINC000647179698 384531690 /nfs/dbraw/zinc/53/16/90/384531690.db2.gz LMWCTWVZXYDVDN-LLVKDONJSA-N 0 3 248.330 0.812 20 0 BCADHN CC(C)CNC(=O)C[C@H]1CSCCN1 ZINC000085612435 384543635 /nfs/dbraw/zinc/54/36/35/384543635.db2.gz KYJOOWUQHDYRDH-VIFPVBQESA-N 0 3 216.350 0.854 20 0 BCADHN CCS(=O)(=O)NCCN1[C@H](C)CC[C@@H]1C ZINC000123230946 384543880 /nfs/dbraw/zinc/54/38/80/384543880.db2.gz MLKVHCDLEYHHAO-AOOOYVTPSA-N 0 3 234.365 0.799 20 0 BCADHN CCCNC(=O)C[C@H]1CSCCN1 ZINC000085612330 384544613 /nfs/dbraw/zinc/54/46/13/384544613.db2.gz YIKBCJOZWMMFTP-QMMMGPOBSA-N 0 3 202.323 0.608 20 0 BCADHN CCN(CCO)CCNC(=O)c1ccncc1 ZINC000183963638 384544561 /nfs/dbraw/zinc/54/45/61/384544561.db2.gz PWKIDZXCHJTTIA-UHFFFAOYSA-N 0 3 237.303 0.126 20 0 BCADHN CC[C@@H](C)NC(=O)C[C@H]1CNCCO1 ZINC000085618713 384545714 /nfs/dbraw/zinc/54/57/14/384545714.db2.gz NYRZHTPLZDPKKJ-BDAKNGLRSA-N 0 3 200.282 0.280 20 0 BCADHN CC(C)(C)OCCN[C@H](CO)[C@H]1CCCO1 ZINC000309702349 384545837 /nfs/dbraw/zinc/54/58/37/384545837.db2.gz UCFOLQXTADGOOK-GHMZBOCLSA-N 0 3 231.336 0.931 20 0 BCADHN CC[C@H](C)NC(=O)C[C@H]1CNCCO1 ZINC000085618717 384546158 /nfs/dbraw/zinc/54/61/58/384546158.db2.gz NYRZHTPLZDPKKJ-IUCAKERBSA-N 0 3 200.282 0.280 20 0 BCADHN O=C(C[C@H]1CSCCN1)Nc1cn[nH]c1 ZINC000085613201 384546238 /nfs/dbraw/zinc/54/62/38/384546238.db2.gz WEPSXBPEWVLGSN-ZETCQYMHSA-N 0 3 226.305 0.443 20 0 BCADHN CCCCN(C)C(=O)C[C@H]1CNCCO1 ZINC000085618887 384546428 /nfs/dbraw/zinc/54/64/28/384546428.db2.gz DWYOLHHWCMWPJW-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN Cc1ocnc1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262818506 384549414 /nfs/dbraw/zinc/54/94/14/384549414.db2.gz SDPSJMFWPPNRDN-YUMQZZPRSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1ccc([C@@H](C)NCC(=O)NC(N)=O)cc1 ZINC000049556806 384550271 /nfs/dbraw/zinc/55/02/71/384550271.db2.gz JVGNUGHRJUJFAU-SECBINFHSA-N 0 3 235.287 0.841 20 0 BCADHN CO[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000066946443 384555558 /nfs/dbraw/zinc/55/55/58/384555558.db2.gz HDNMKQTTYGMWGK-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN CN(CCCO)CCOCC(F)(F)F ZINC000300787942 384555624 /nfs/dbraw/zinc/55/56/24/384555624.db2.gz GWKFREMOACACDE-UHFFFAOYSA-N 0 3 215.215 0.880 20 0 BCADHN CCN(C)C(=O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000305926378 384556274 /nfs/dbraw/zinc/55/62/74/384556274.db2.gz NNUWCHKOTZRXGV-NSHDSACASA-N 0 3 239.323 0.412 20 0 BCADHN COCCOCCn1cc([C@H](N)C(C)C)nn1 ZINC000305976707 384559323 /nfs/dbraw/zinc/55/93/23/384559323.db2.gz ZYQIRRQZMZUWAS-LLVKDONJSA-N 0 3 242.323 0.597 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)NC[C@](C)(O)CCN(C)C ZINC000642947267 384561063 /nfs/dbraw/zinc/56/10/63/384561063.db2.gz FRYOAVRUAIHREY-CKYFFXLPSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000643844977 384536917 /nfs/dbraw/zinc/53/69/17/384536917.db2.gz UNHRZXPREVSYCN-NUGNTBJXSA-N 0 3 248.330 0.329 20 0 BCADHN C[C@H]1C[C@H](NCCNC(=O)C(C)(C)C)CO1 ZINC000647180136 384537896 /nfs/dbraw/zinc/53/78/96/384537896.db2.gz GXKLPOAOBJMZPQ-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@@H]1C[C@@H](NCCNC(=O)C(C)(C)C)CO1 ZINC000647180135 384538392 /nfs/dbraw/zinc/53/83/92/384538392.db2.gz GXKLPOAOBJMZPQ-NXEZZACHSA-N 0 3 228.336 0.916 20 0 BCADHN CC(C(=O)NC1(C)CCCC1)S(C)(=O)=O ZINC000334820161 384569887 /nfs/dbraw/zinc/56/98/87/384569887.db2.gz ATDFHPOZXIBJBE-QMMMGPOBSA-N 0 3 233.333 0.868 20 0 BCADHN CC(C)C[C@@H](CCO)CNC(=O)C(C)(C)N ZINC000236751328 384571826 /nfs/dbraw/zinc/57/18/26/384571826.db2.gz NXNRFJORJTUVDK-SNVBAGLBSA-N 0 3 230.352 0.885 20 0 BCADHN COc1ncncc1CNC[C@](C)(O)C(C)C ZINC000647182812 384575137 /nfs/dbraw/zinc/57/51/37/384575137.db2.gz VBRSZPUWCZJLJE-LBPRGKRZSA-N 0 3 239.319 0.982 20 0 BCADHN C[C@H](NC(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000561223990 384576291 /nfs/dbraw/zinc/57/62/91/384576291.db2.gz LAGWILDSQHEQQX-WPRPVWTQSA-N 0 3 227.308 0.073 20 0 BCADHN C[C@@H]1OCC[C@H]1N[C@H]1CCN(C2CC2)C1=O ZINC000309737575 384566368 /nfs/dbraw/zinc/56/63/68/384566368.db2.gz CRBJLJJXJKJLCS-GDPRMGEGSA-N 0 3 224.304 0.517 20 0 BCADHN CC[C@H](NC[C@@H](C)O)[C@@H](O)C(F)(F)F ZINC000647529421 384602707 /nfs/dbraw/zinc/60/27/07/384602707.db2.gz BFRVXBDPGPUQAL-DSYKOEDSSA-N 0 3 215.215 0.659 20 0 BCADHN CC(C)[C@H](NC[C@@H](C)O)[C@H](O)C(F)(F)F ZINC000647529409 384604611 /nfs/dbraw/zinc/60/46/11/384604611.db2.gz ZYALHSQNXFPWBZ-CSMHCCOUSA-N 0 3 229.242 0.905 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N(C)CC1CCC1 ZINC000111298544 384605812 /nfs/dbraw/zinc/60/58/12/384605812.db2.gz YLGOXHSSIIEWNP-MRVPVSSYSA-N 0 3 227.308 0.562 20 0 BCADHN COC(=O)c1ccc(CNCCO)cc1 ZINC000020313531 384612016 /nfs/dbraw/zinc/61/20/16/384612016.db2.gz QOVRFYCCALGQGT-UHFFFAOYSA-N 0 3 209.245 0.555 20 0 BCADHN O=C1NCCCC[C@H]1NC[C@@H]1CCC=CO1 ZINC000050268288 384612802 /nfs/dbraw/zinc/61/28/02/384612802.db2.gz DWEYTUBANZKWBD-WDEREUQCSA-N 0 3 224.304 0.937 20 0 BCADHN COc1ncncc1CN[C@@H](C)[C@@H](C)CO ZINC000647185841 384614549 /nfs/dbraw/zinc/61/45/49/384614549.db2.gz SCFGTPSNXQYNHQ-IUCAKERBSA-N 0 3 225.292 0.592 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCC(=O)OC ZINC000040859742 384614729 /nfs/dbraw/zinc/61/47/29/384614729.db2.gz HUTZLKUZZFFGCG-SNVBAGLBSA-N 0 3 216.281 0.183 20 0 BCADHN NC(=O)CCN[C@@H](CO)Cc1ccc(F)cc1 ZINC000647529977 384616407 /nfs/dbraw/zinc/61/64/07/384616407.db2.gz ZWLVLLVLPFPFHX-LLVKDONJSA-N 0 3 240.278 0.194 20 0 BCADHN COc1ncncc1CN[C@@H](C)[C@H](C)CO ZINC000647185839 384616883 /nfs/dbraw/zinc/61/68/83/384616883.db2.gz SCFGTPSNXQYNHQ-BDAKNGLRSA-N 0 3 225.292 0.592 20 0 BCADHN CC[C@H](CCO)NCc1cncnc1OC ZINC000647186002 384618268 /nfs/dbraw/zinc/61/82/68/384618268.db2.gz ZTGWLQPAFIQXNT-SNVBAGLBSA-N 0 3 225.292 0.736 20 0 BCADHN CC[C@@H](CCO)NCc1cncnc1OC ZINC000647186001 384619182 /nfs/dbraw/zinc/61/91/82/384619182.db2.gz ZTGWLQPAFIQXNT-JTQLQIEISA-N 0 3 225.292 0.736 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@](C)(CCO)COC ZINC000176372675 384622769 /nfs/dbraw/zinc/62/27/69/384622769.db2.gz UUHZYEPLHZJDRH-CMPLNLGQSA-N 0 3 246.351 0.278 20 0 BCADHN CC(C)(O)CCN[C@@H]1CCCS(=O)(=O)C1 ZINC000086236006 384627976 /nfs/dbraw/zinc/62/79/76/384627976.db2.gz ACWXRLCVVWSPKT-SECBINFHSA-N 0 3 235.349 0.314 20 0 BCADHN COc1ncncc1CN[C@H](CCO)C(C)C ZINC000647187158 384628460 /nfs/dbraw/zinc/62/84/60/384628460.db2.gz FJHXBEWJCOJGOF-LLVKDONJSA-N 0 3 239.319 0.982 20 0 BCADHN COC[C@H](C)NCC1(CS(C)(=O)=O)CC1 ZINC000090182876 384628711 /nfs/dbraw/zinc/62/87/11/384628711.db2.gz JAAOBPYPJMDKMN-VIFPVBQESA-N 0 3 235.349 0.436 20 0 BCADHN Cn1ccnc(N2CCN(CC3CC3)CC2)c1=O ZINC000172822827 384629212 /nfs/dbraw/zinc/62/92/12/384629212.db2.gz RELHBUQEPNVHBC-UHFFFAOYSA-N 0 3 248.330 0.312 20 0 BCADHN CC[C@@H](CCO)CNC(=O)CN1CC[C@H](C)C1 ZINC000561291330 384630725 /nfs/dbraw/zinc/63/07/25/384630725.db2.gz MRXCDECQERTNLV-RYUDHWBXSA-N 0 3 242.363 0.853 20 0 BCADHN COc1ncncc1CN[C@H](C)[C@H]1CCOC1 ZINC000647187117 384631280 /nfs/dbraw/zinc/63/12/80/384631280.db2.gz DHGPZGLARDCIKU-ZJUUUORDSA-N 0 3 237.303 1.000 20 0 BCADHN O=S1(=O)CC[C@H]2CN(CCC3CC3)C[C@H]21 ZINC000335324902 384596268 /nfs/dbraw/zinc/59/62/68/384596268.db2.gz GMDXTBWBXPRWGW-WDEREUQCSA-N 0 3 229.345 0.905 20 0 BCADHN C[C@@H](CO)N(C)C(=O)NC1CCN(C)CC1 ZINC000338615279 384596911 /nfs/dbraw/zinc/59/69/11/384596911.db2.gz FEELKIZIVJRYLB-VIFPVBQESA-N 0 3 229.324 0.103 20 0 BCADHN COc1ncncc1CNCC1(C)COC1 ZINC000647183066 384598161 /nfs/dbraw/zinc/59/81/61/384598161.db2.gz GXDFQTBYJYJZPD-UHFFFAOYSA-N 0 3 223.276 0.611 20 0 BCADHN C[C@H](CN[C@H]1CCC[C@]1(C)CO)S(C)(=O)=O ZINC000647528819 384602443 /nfs/dbraw/zinc/60/24/43/384602443.db2.gz IOSIEOGAZRFZJG-OUAUKWLOSA-N 0 3 249.376 0.560 20 0 BCADHN CC[C@H]1CN(C)CCN1CCC1(O)CC1 ZINC000566139113 384668414 /nfs/dbraw/zinc/66/84/14/384668414.db2.gz AOKGCINAVFIQFL-NSHDSACASA-N 0 3 212.337 0.927 20 0 BCADHN Cc1c[nH]nc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000644766447 384670117 /nfs/dbraw/zinc/67/01/17/384670117.db2.gz QNNSWTTUUILRPV-CYBMUJFWSA-N 0 3 248.330 0.886 20 0 BCADHN CN(CC(=O)N1CCCC1)C[C@@H]1CCOC1 ZINC000047697489 384673625 /nfs/dbraw/zinc/67/36/25/384673625.db2.gz MHDMIWODTGAKNN-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN CCOC(=O)CCN(C)[C@H](C)COC ZINC000042375761 384639473 /nfs/dbraw/zinc/63/94/73/384639473.db2.gz QIKYKMRKWVYAMC-SECBINFHSA-N 0 3 203.282 0.906 20 0 BCADHN CNc1ccc(C(=O)NC2CCN(C)CC2)cn1 ZINC000050749543 384642407 /nfs/dbraw/zinc/64/24/07/384642407.db2.gz YGPCAKKNFJZKSB-UHFFFAOYSA-N 0 3 248.330 0.947 20 0 BCADHN C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1nnc[n-]1 ZINC000561309873 384642665 /nfs/dbraw/zinc/64/26/65/384642665.db2.gz YVQNESDWEMUMLM-DTWKUNHWSA-N 0 3 237.307 0.324 20 0 BCADHN C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)c1nnc[n-]1 ZINC000561309873 384642672 /nfs/dbraw/zinc/64/26/72/384642672.db2.gz YVQNESDWEMUMLM-DTWKUNHWSA-N 0 3 237.307 0.324 20 0 BCADHN C[C@@H](NC(=O)CN1CC[C@H](C)C1)c1nc[nH]n1 ZINC000561309873 384642678 /nfs/dbraw/zinc/64/26/78/384642678.db2.gz YVQNESDWEMUMLM-DTWKUNHWSA-N 0 3 237.307 0.324 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2)C1 ZINC000082255841 384653269 /nfs/dbraw/zinc/65/32/69/384653269.db2.gz VHLTVVJCPNYTEE-QWRGUYRKSA-N 0 3 233.315 0.729 20 0 BCADHN CN(C(=O)c1cnn(C)c1)C1CCN(C)CC1 ZINC000082258669 384653361 /nfs/dbraw/zinc/65/33/61/384653361.db2.gz DQAIOMZAKJVNRV-UHFFFAOYSA-N 0 3 236.319 0.586 20 0 BCADHN C[C@H](N)C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000082255877 384653945 /nfs/dbraw/zinc/65/39/45/384653945.db2.gz UAEQNJVTOVIREE-LURJTMIESA-N 0 3 240.332 0.417 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1ccccc1 ZINC000048775617 384675783 /nfs/dbraw/zinc/67/57/83/384675783.db2.gz BBAVFXRUCPQEID-JTQLQIEISA-N 0 3 206.289 0.953 20 0 BCADHN COC(=O)Cc1ccc(NC(=O)[C@@H](C)N)cc1 ZINC000082255850 384654006 /nfs/dbraw/zinc/65/40/06/384654006.db2.gz VISSFCINQIYSMM-MRVPVSSYSA-N 0 3 236.271 0.688 20 0 BCADHN Cc1csc(C(C)(C)NC(=O)CN)n1 ZINC000082275076 384655679 /nfs/dbraw/zinc/65/56/79/384655679.db2.gz QCUWPLWJMVZRFZ-UHFFFAOYSA-N 0 3 213.306 0.762 20 0 BCADHN COC[C@H](C)N[C@H](CO)[C@H]1CCCO1 ZINC000336656867 384659134 /nfs/dbraw/zinc/65/91/34/384659134.db2.gz PALYPYNKXCISFG-IVZWLZJFSA-N 0 3 203.282 0.151 20 0 BCADHN CN1CC=C(CNC(=O)c2cn[nH]c2)CC1 ZINC000272006655 384661380 /nfs/dbraw/zinc/66/13/80/384661380.db2.gz SKUSCIMJFNNHCK-UHFFFAOYSA-N 0 3 220.276 0.401 20 0 BCADHN C[C@H](O)CCNCc1cc(C(N)=O)cs1 ZINC000086573763 384661971 /nfs/dbraw/zinc/66/19/71/384661971.db2.gz CNGDBFPMSZFMOX-ZETCQYMHSA-N 0 3 228.317 0.708 20 0 BCADHN CS(=O)(=O)c1ccc(CNCCO)cc1 ZINC000045173420 384662051 /nfs/dbraw/zinc/66/20/51/384662051.db2.gz YUBDBPDHGJSGRM-UHFFFAOYSA-N 0 3 229.301 0.172 20 0 BCADHN CC(C)(CO)NCc1cc(C(N)=O)cs1 ZINC000086573577 384662840 /nfs/dbraw/zinc/66/28/40/384662840.db2.gz ZEZLJTYDFPTYMA-UHFFFAOYSA-N 0 3 228.317 0.708 20 0 BCADHN O=C(CCCNCc1ncc[nH]1)NC1CC1 ZINC000082395009 384677571 /nfs/dbraw/zinc/67/75/71/384677571.db2.gz CZWIROSEQVSVAI-UHFFFAOYSA-N 0 3 222.292 0.558 20 0 BCADHN CN(CCN1CCOCC1)C[C@@H]1CCCCO1 ZINC000171920189 384678315 /nfs/dbraw/zinc/67/83/15/384678315.db2.gz WSEUFMBLRHLJSA-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN C[C@@H]1C[C@@H](N[C@H]2CCCN(C)C2=O)CO1 ZINC000647189184 384680461 /nfs/dbraw/zinc/68/04/61/384680461.db2.gz HPWSOBIPHGRUIA-BBBLOLIVSA-N 0 3 212.293 0.374 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCc1ccnn1C ZINC000566139289 384684908 /nfs/dbraw/zinc/68/49/08/384684908.db2.gz TWBAKCRKPNOEAH-GFCCVEGCSA-N 0 3 236.363 0.989 20 0 BCADHN CN(CCc1ccncc1)C(=O)[C@@H]1C[C@@H]1N ZINC000050459374 384698144 /nfs/dbraw/zinc/69/81/44/384698144.db2.gz NNJVCOCVDPDCIE-MNOVXSKESA-N 0 3 219.288 0.430 20 0 BCADHN CC(=O)Nc1ccc(CNC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000050461530 384698166 /nfs/dbraw/zinc/69/81/66/384698166.db2.gz HJRLAPCADSXLTM-NEPJUHHUSA-N 0 3 247.298 0.608 20 0 BCADHN CCc1nnc(NC(=O)[C@]23C[C@H]2CCN3)s1 ZINC000564824895 384713749 /nfs/dbraw/zinc/71/37/49/384713749.db2.gz DRLBGPPBUNHZFN-LDWIPMOCSA-N 0 3 238.316 0.791 20 0 BCADHN CCO[C@H]1C[C@@H](NC(=O)N2CCCNCC2)C1 ZINC000334957944 384713750 /nfs/dbraw/zinc/71/37/50/384713750.db2.gz CFKHZZARJGOZKU-PHIMTYICSA-N 0 3 241.335 0.559 20 0 BCADHN C[C@@H]1CN(CCNCc2cccnc2)CCO1 ZINC000053343916 384716125 /nfs/dbraw/zinc/71/61/25/384716125.db2.gz WYGAZSYDOLAMHQ-GFCCVEGCSA-N 0 3 235.331 0.892 20 0 BCADHN CCOC[C@H](C)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000309918455 384716103 /nfs/dbraw/zinc/71/61/03/384716103.db2.gz QRTFNGIHFPZHGO-VHSXEESVSA-N 0 3 249.376 0.967 20 0 BCADHN C/C=C\C[C@H](CO)N[C@@H]1CCCS(=O)(=O)C1 ZINC000309920276 384716123 /nfs/dbraw/zinc/71/61/23/384716123.db2.gz RPLXXPGBPXLREO-LVUHIJSRSA-N 0 3 247.360 0.480 20 0 BCADHN C[C@]1(F)CNCCN(Cc2cocn2)C1 ZINC000647544714 384718004 /nfs/dbraw/zinc/71/80/04/384718004.db2.gz LONKEHMOPYHITD-JTQLQIEISA-N 0 3 213.256 0.808 20 0 BCADHN CC[C@@H](CCO)CNCc1cncnc1OC ZINC000647191506 384719579 /nfs/dbraw/zinc/71/95/79/384719579.db2.gz RGTSDCKWZBYXTO-JTQLQIEISA-N 0 3 239.319 0.983 20 0 BCADHN COCCCn1cc([C@@H](N)C(C)C)nn1 ZINC000300930752 384720464 /nfs/dbraw/zinc/72/04/64/384720464.db2.gz NTQMLASPZHCMJA-JTQLQIEISA-N 0 3 212.297 0.970 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000105327496 384774516 /nfs/dbraw/zinc/77/45/16/384774516.db2.gz OEPXCNWGQSXVTO-MWLCHTKSSA-N 0 3 241.335 0.064 20 0 BCADHN COC(=O)c1ccc(CNC(=O)C2(N)CC2)cc1 ZINC000083378392 384774783 /nfs/dbraw/zinc/77/47/83/384774783.db2.gz LIKAPYMHJYUJCO-UHFFFAOYSA-N 0 3 248.282 0.581 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H](N)C2CCC2)CCO1 ZINC000335034136 384775013 /nfs/dbraw/zinc/77/50/13/384775013.db2.gz IQJHSJOXKUMMAD-QWRGUYRKSA-N 0 3 226.320 0.751 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)c1cnccn1 ZINC000103452656 384775377 /nfs/dbraw/zinc/77/53/77/384775377.db2.gz VTXWSNJSTRPPKE-UHFFFAOYSA-N 0 3 248.330 0.890 20 0 BCADHN C[C@H](N)C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000518181098 384776982 /nfs/dbraw/zinc/77/69/82/384776982.db2.gz VCWDUAXXOCYRDS-YUMQZZPRSA-N 0 3 229.324 0.095 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](N)C2CCC2)CCO1 ZINC000335034134 384777639 /nfs/dbraw/zinc/77/76/39/384777639.db2.gz IQJHSJOXKUMMAD-GHMZBOCLSA-N 0 3 226.320 0.751 20 0 BCADHN CCN(C[C@@H](O)COC)C[C@H]1CCCO1 ZINC000126427177 384777702 /nfs/dbraw/zinc/77/77/02/384777702.db2.gz OMMJZNYKEFJMRF-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)CCCC(=O)NC ZINC000236882003 384778587 /nfs/dbraw/zinc/77/85/87/384778587.db2.gz ZENCBSTYMZBCIZ-KOLCDFICSA-N 0 3 243.351 0.344 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H](C)CCO ZINC000126063369 384731976 /nfs/dbraw/zinc/73/19/76/384731976.db2.gz HSGZXLBVDFUFBG-VIFPVBQESA-N 0 3 211.309 0.837 20 0 BCADHN CCS(=O)(=O)N1CC[C@H](N(C)C)[C@@H]1C ZINC000307072864 384734769 /nfs/dbraw/zinc/73/47/69/384734769.db2.gz ZEHXOCCWWURIKV-IUCAKERBSA-N 0 3 220.338 0.361 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C ZINC000230195433 384737442 /nfs/dbraw/zinc/73/74/42/384737442.db2.gz PSBFGXQJFNJDKT-MWLCHTKSSA-N 0 3 249.314 0.587 20 0 BCADHN CCSCCN[C@H]1CCCCNC1=O ZINC000308473742 384738527 /nfs/dbraw/zinc/73/85/27/384738527.db2.gz AKZGVBQHMUBEJX-VIFPVBQESA-N 0 3 216.350 0.998 20 0 BCADHN C[NH2+]CCNC(=O)c1cccc(OC)c1[O-] ZINC000054244231 384738695 /nfs/dbraw/zinc/73/86/95/384738695.db2.gz QTFJWUSNTFTUQW-UHFFFAOYSA-N 0 3 224.260 0.350 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000335474420 384743781 /nfs/dbraw/zinc/74/37/81/384743781.db2.gz FJTLZVGOYZSLPU-ZJUUUORDSA-N 0 3 212.293 0.361 20 0 BCADHN CO[C@H]1CCN(CCOCCO)[C@H](C)C1 ZINC000300958203 384744046 /nfs/dbraw/zinc/74/40/46/384744046.db2.gz VBDVSZBZOOCGPP-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN Cc1n[nH]cc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000083118398 384744318 /nfs/dbraw/zinc/74/43/18/384744318.db2.gz NARBMPOYSCKFRR-SFYZADRCSA-N 0 3 222.292 0.541 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1O ZINC000536366822 384746183 /nfs/dbraw/zinc/74/61/83/384746183.db2.gz ZPQOQLZMPHXWLN-TUAOUCFPSA-N 0 3 242.363 0.802 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@]1(C)CCCO1 ZINC000087234284 384752878 /nfs/dbraw/zinc/75/28/78/384752878.db2.gz SHTCGRJCQJLBCJ-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN O=C(CN1CC[C@@H]2OCC[C@@H]2C1)NC1CC1 ZINC000335432436 384755975 /nfs/dbraw/zinc/75/59/75/384755975.db2.gz HRUIWEZBXBSKKV-KOLCDFICSA-N 0 3 224.304 0.376 20 0 BCADHN C[C@H]1CCN(CCNC(=O)Cc2ccon2)C1 ZINC000531058186 384756741 /nfs/dbraw/zinc/75/67/41/384756741.db2.gz SXAMPFMXXXSLTD-JTQLQIEISA-N 0 3 237.303 0.675 20 0 BCADHN CCOC[C@@H](C)NC[C@@H]1CCCCS1(=O)=O ZINC000309986409 384767150 /nfs/dbraw/zinc/76/71/50/384767150.db2.gz YKJHHGCIAKRVBH-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN CCN(C[C@H]1CCCO1)C(=O)[C@@H](C)N ZINC000042470684 384815872 /nfs/dbraw/zinc/81/58/72/384815872.db2.gz WRECQCAWDDLHIL-RKDXNWHRSA-N 0 3 200.282 0.361 20 0 BCADHN NCC(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000083913406 384816087 /nfs/dbraw/zinc/81/60/87/384816087.db2.gz CLKMUUFPKUGCSG-NSHDSACASA-N 0 3 233.315 0.730 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000083909096 384816178 /nfs/dbraw/zinc/81/61/78/384816178.db2.gz VAASOSICRANEHA-MRVPVSSYSA-N 0 3 235.287 0.801 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2NCC2(C)C)CO1 ZINC000648205109 384837316 /nfs/dbraw/zinc/83/73/16/384837316.db2.gz TUSWRCCUFOAQHG-HLTSFMKQSA-N 0 3 212.293 0.278 20 0 BCADHN CC(=O)Nc1cccc(CNC(=O)[C@H](C)N)c1 ZINC000083931915 384819776 /nfs/dbraw/zinc/81/97/76/384819776.db2.gz YVPMMTNQTPYKEJ-QMMMGPOBSA-N 0 3 235.287 0.608 20 0 BCADHN CSC[C@@H]1CCCN([C@H](C)C(N)=O)C1 ZINC000308581264 384820703 /nfs/dbraw/zinc/82/07/03/384820703.db2.gz PGGFGCQHYLSANP-RKDXNWHRSA-N 0 3 216.350 0.935 20 0 BCADHN C[C@@H](N)C(=O)NCc1nnc(C(C)(C)C)s1 ZINC000083938678 384820896 /nfs/dbraw/zinc/82/08/96/384820896.db2.gz KICDCGBBJKYTBM-ZCFIWIBFSA-N 0 3 242.348 0.799 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000083959878 384821261 /nfs/dbraw/zinc/82/12/61/384821261.db2.gz ONGSMTAZGTUKEH-SSDOTTSWSA-N 0 3 248.286 0.163 20 0 BCADHN C[C@@H]1OCC[C@H]1N[C@H](CO)CC(F)F ZINC000308572184 384821633 /nfs/dbraw/zinc/82/16/33/384821633.db2.gz CISIVJGMLWHPQI-BIIVOSGPSA-N 0 3 209.236 0.770 20 0 BCADHN CCN(C)CCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000054132951 384823321 /nfs/dbraw/zinc/82/33/21/384823321.db2.gz ZCKUFTKYWKYARO-ZDUSSCGKSA-N 0 3 249.358 0.624 20 0 BCADHN COC[C@H](O)CN1CCS[C@@H](C)[C@H]1C ZINC000126949867 384824784 /nfs/dbraw/zinc/82/47/84/384824784.db2.gz KBCPKPYDPRZBAB-KXUCPTDWSA-N 0 3 219.350 0.820 20 0 BCADHN C[C@@H](CO)[C@H](C)NCc1ccc(CO)o1 ZINC000126938144 384825088 /nfs/dbraw/zinc/82/50/88/384825088.db2.gz MIOOFBCKSYXCGO-IUCAKERBSA-N 0 3 213.277 0.878 20 0 BCADHN C[NH2+]CCNC(=O)c1ccc(OC)cc1[O-] ZINC000054244210 384825697 /nfs/dbraw/zinc/82/56/97/384825697.db2.gz FHCBBAVADJUSBG-UHFFFAOYSA-N 0 3 224.260 0.350 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CC[C@H](O)C(C)(C)C1 ZINC000304407091 384826999 /nfs/dbraw/zinc/82/69/99/384826999.db2.gz BRAGPVUPJWEPOW-CABZTGNLSA-N 0 3 245.319 0.003 20 0 BCADHN COC(=O)[C@](C)(O)CN1CC[C@H](O)C(C)(C)C1 ZINC000304407093 384828429 /nfs/dbraw/zinc/82/84/29/384828429.db2.gz BRAGPVUPJWEPOW-JOYOIKCWSA-N 0 3 245.319 0.003 20 0 BCADHN N[C@H](CC(F)F)C(=O)NCCCn1cccn1 ZINC000310091834 384829719 /nfs/dbraw/zinc/82/97/19/384829719.db2.gz RRDNLPSYVOOQTB-MRVPVSSYSA-N 0 3 246.261 0.372 20 0 BCADHN COC[C@H](CO)N[C@H](C)COC(C)C ZINC000308582066 384830313 /nfs/dbraw/zinc/83/03/13/384830313.db2.gz GWUBNFUQAXVVHM-ZJUUUORDSA-N 0 3 205.298 0.397 20 0 BCADHN CC[C@H](CO)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000180907729 384830507 /nfs/dbraw/zinc/83/05/07/384830507.db2.gz KQXAFKBAJDSPET-VHSXEESVSA-N 0 3 243.351 0.539 20 0 BCADHN Cn1cc(CN[C@H]2C[C@H]3CC[C@@H]2O3)cn1 ZINC000087689800 384832078 /nfs/dbraw/zinc/83/20/78/384832078.db2.gz HVGJDQNONFYLAC-VWYCJHECSA-N 0 3 207.277 0.830 20 0 BCADHN C[C@H](NCc1ccn(C)n1)[C@H]1CCOC1 ZINC000127058407 384833692 /nfs/dbraw/zinc/83/36/92/384833692.db2.gz URSDSJWPGHZJAW-UWVGGRQHSA-N 0 3 209.293 0.935 20 0 BCADHN Cn1nncc1CNc1nc2ccc(F)cc2[nH]1 ZINC000362626465 384834238 /nfs/dbraw/zinc/83/42/38/384834238.db2.gz HIYVZKMKWHWMDJ-UHFFFAOYSA-N 0 3 246.249 0.865 20 0 BCADHN C[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1cnn(C)c1 ZINC000084063705 384834434 /nfs/dbraw/zinc/83/44/34/384834434.db2.gz FSXHCMJBXVHVRV-MWLCHTKSSA-N 0 3 236.319 0.692 20 0 BCADHN Cn1cc(CNc2nc3ccc(F)cc3[nH]2)nn1 ZINC000362626716 384835116 /nfs/dbraw/zinc/83/51/16/384835116.db2.gz JHFQYPNIUDIYRL-UHFFFAOYSA-N 0 3 246.249 0.865 20 0 BCADHN CN1CCC[C@H](N2CCC[C@@H](CO)CC2)C1=O ZINC000557056167 384784180 /nfs/dbraw/zinc/78/41/80/384784180.db2.gz VAPWURNUTAAULA-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN CN1CCC[C@H]1CNC(=O)Cc1ccon1 ZINC000531062982 384784280 /nfs/dbraw/zinc/78/42/80/384784280.db2.gz LYZJSOZIIRDHJL-JTQLQIEISA-N 0 3 223.276 0.428 20 0 BCADHN CS[C@@H](CO)[C@@H](C)NCc1cnn(C)c1C ZINC000126253908 384784629 /nfs/dbraw/zinc/78/46/29/384784629.db2.gz ZECMELJIWCZWNE-KCJUWKMLSA-N 0 3 243.376 0.931 20 0 BCADHN C[C@@H](C(=O)NCCN(C)C)c1cccnc1 ZINC000174418562 384788064 /nfs/dbraw/zinc/78/80/64/384788064.db2.gz FJVUGWHALVWSME-SNVBAGLBSA-N 0 3 221.304 0.863 20 0 BCADHN O=C(CN[C@H]1CCOC1)NC1CCCCC1 ZINC000087416121 384790802 /nfs/dbraw/zinc/79/08/02/384790802.db2.gz WFDYVIPGTNILMK-NSHDSACASA-N 0 3 226.320 0.814 20 0 BCADHN O=C(CNC[C@H]1CCCO1)NCc1ccncc1 ZINC000163376729 384795298 /nfs/dbraw/zinc/79/52/98/384795298.db2.gz SOCDOXPMEDOOKH-GFCCVEGCSA-N 0 3 249.314 0.466 20 0 BCADHN CNc1ccc(C(=O)N[C@@H](C)CN(C)C)cn1 ZINC000126387334 384795548 /nfs/dbraw/zinc/79/55/48/384795548.db2.gz CBWQWGNHNMYGDX-VIFPVBQESA-N 0 3 236.319 0.803 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)CCOC ZINC000038101334 384797066 /nfs/dbraw/zinc/79/70/66/384797066.db2.gz YQZSHIJGARBVMB-SNVBAGLBSA-N 0 3 202.298 0.609 20 0 BCADHN COC[C@H](N[C@H]1CCCNC1=O)C(C)C ZINC000087480052 384797870 /nfs/dbraw/zinc/79/78/70/384797870.db2.gz APKRDZHYBGVWNE-UWVGGRQHSA-N 0 3 214.309 0.526 20 0 BCADHN CNS(=O)(=O)CCCN1CCCCCC1 ZINC000104094745 384799706 /nfs/dbraw/zinc/79/97/06/384799706.db2.gz NIKVRZNHXJVMFJ-UHFFFAOYSA-N 0 3 234.365 0.802 20 0 BCADHN CC[C@@H](CN[C@H](C)c1ccc(=O)[nH]n1)OC ZINC000310034099 384799996 /nfs/dbraw/zinc/79/99/96/384799996.db2.gz SGQXXBGUVKUVSS-BDAKNGLRSA-N 0 3 225.292 0.846 20 0 BCADHN C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1cnn(C)c1 ZINC000084063702 384836835 /nfs/dbraw/zinc/83/68/35/384836835.db2.gz FSXHCMJBXVHVRV-GXSJLCMTSA-N 0 3 236.319 0.692 20 0 BCADHN CC[C@H](O)CN1CCN(CC2CC2)CC1 ZINC000042490920 384806702 /nfs/dbraw/zinc/80/67/02/384806702.db2.gz KXPCKDBFXXVPCQ-LBPRGKRZSA-N 0 3 212.337 0.785 20 0 BCADHN CNCC(=O)N1CC2(C[C@H]1C)CCOCC2 ZINC000648204231 384836880 /nfs/dbraw/zinc/83/68/80/384836880.db2.gz XVLZVJUOEVNTDF-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CCc2n[nH]cc2C1 ZINC000335655190 384810139 /nfs/dbraw/zinc/81/01/39/384810139.db2.gz AMVVSXGCODHEHB-SNVBAGLBSA-N 0 3 236.319 0.668 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CC[C@H](c2cccnc2)C1 ZINC000648194776 384811067 /nfs/dbraw/zinc/81/10/67/384811067.db2.gz DSACVJACIMBZRR-SDDRHHMPSA-N 0 3 231.299 0.745 20 0 BCADHN CNCC(=O)NCc1nc2c(s1)CCCC2 ZINC000083888499 384811906 /nfs/dbraw/zinc/81/19/06/384811906.db2.gz LJMYUYCCKHMTSZ-UHFFFAOYSA-N 0 3 239.344 0.858 20 0 BCADHN CCC[C@H](N)C(=O)N(C)C[C@@H]1CCCO1 ZINC000042465875 384813265 /nfs/dbraw/zinc/81/32/65/384813265.db2.gz SQLNGZIBPCXHLB-UWVGGRQHSA-N 0 3 214.309 0.751 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1ccc[nH]c1=O ZINC000186730854 384873766 /nfs/dbraw/zinc/87/37/66/384873766.db2.gz QNIGPIVPBCJIIT-UHFFFAOYSA-N 0 3 249.314 0.953 20 0 BCADHN COc1ncncc1CNCC1=CCN(C)CC1 ZINC000647199238 384875214 /nfs/dbraw/zinc/87/52/14/384875214.db2.gz UCZRGFJZGRJFBJ-UHFFFAOYSA-N 0 3 248.330 0.837 20 0 BCADHN Cc1ccc(F)cc1CN(CCO)CCO ZINC000163921139 384878718 /nfs/dbraw/zinc/87/87/18/384878718.db2.gz BLGUAWBLTMQTHV-UHFFFAOYSA-N 0 3 227.279 0.921 20 0 BCADHN CC(C)=CCNC(=O)N1CCN(C)C[C@H]1CN ZINC000557204690 384878951 /nfs/dbraw/zinc/87/89/51/384878951.db2.gz CUUFPDBITMAMSJ-LLVKDONJSA-N 0 3 240.351 0.237 20 0 BCADHN Cn1cc(CN2CCC[C@@H](CC(N)=O)C2)cn1 ZINC000175200331 384879985 /nfs/dbraw/zinc/87/99/85/384879985.db2.gz LGKYARFFMRTONT-JTQLQIEISA-N 0 3 236.319 0.508 20 0 BCADHN CCCC[C@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000305956486 384881077 /nfs/dbraw/zinc/88/10/77/384881077.db2.gz DRMSBEHBUBSLAQ-RYUDHWBXSA-N 0 3 241.379 0.914 20 0 BCADHN COC[C@](C)(CCO)NCc1ccn(C)c1 ZINC000127285613 384883619 /nfs/dbraw/zinc/88/36/19/384883619.db2.gz UNRSEJFJJYRNOS-LBPRGKRZSA-N 0 3 226.320 0.902 20 0 BCADHN CC(C(=O)N1CC[C@@H](C)[C@@H]1C)S(C)(=O)=O ZINC000177148908 384887299 /nfs/dbraw/zinc/88/72/99/384887299.db2.gz DYARKFOABAUKEZ-HRDYMLBCSA-N 0 3 233.333 0.676 20 0 BCADHN CSCC[C@@H]([NH3+])C(=O)Nc1ncccc1[O-] ZINC000163648945 384838929 /nfs/dbraw/zinc/83/89/29/384838929.db2.gz FVGBSHCCJZPFPC-SSDOTTSWSA-N 0 3 241.316 0.806 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000084091762 384839467 /nfs/dbraw/zinc/83/94/67/384839467.db2.gz PKERZIHAXOKNIV-KKZNHRDASA-N 0 3 241.335 0.097 20 0 BCADHN CCN(C)CCNC(=O)c1oc(C)nc1C ZINC000174834079 384843391 /nfs/dbraw/zinc/84/33/91/384843391.db2.gz SFARMQMFMCZLPX-UHFFFAOYSA-N 0 3 225.292 0.973 20 0 BCADHN Cc1cc(C)c(C(=O)NC[C@H]2CNCCO2)o1 ZINC000335516193 384846144 /nfs/dbraw/zinc/84/61/44/384846144.db2.gz ISFHUTXTPWQMTK-SNVBAGLBSA-N 0 3 238.287 0.615 20 0 BCADHN CO[C@H](C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177034864 384849111 /nfs/dbraw/zinc/84/91/11/384849111.db2.gz QUUZTTNUHGXCRA-AEJSXWLSSA-N 0 3 226.320 0.763 20 0 BCADHN N[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1O)C1CCC1 ZINC000331838253 384849133 /nfs/dbraw/zinc/84/91/33/384849133.db2.gz FZWZJMDHZXDJQV-SRVKXCTJSA-N 0 3 240.347 0.781 20 0 BCADHN CC[C@H](C)[C@H](O)CNCc1cncn1C ZINC000112380975 384853108 /nfs/dbraw/zinc/85/31/08/384853108.db2.gz UQJYTFOJTNNKCS-GXSJLCMTSA-N 0 3 211.309 0.917 20 0 BCADHN COC(=O)CCN1CCC(N(C)C(C)=O)CC1 ZINC000101727691 384854572 /nfs/dbraw/zinc/85/45/72/384854572.db2.gz VVYVGXBAODKVNS-UHFFFAOYSA-N 0 3 242.319 0.492 20 0 BCADHN COC[C@H](CCO)NCc1ccn(C)c1 ZINC000127275008 384856184 /nfs/dbraw/zinc/85/61/84/384856184.db2.gz CVMMSKNUPWSBHE-NSHDSACASA-N 0 3 212.293 0.512 20 0 BCADHN Cn1ccc(CNC2CCN(C)CC2)n1 ZINC000112355515 384856775 /nfs/dbraw/zinc/85/67/75/384856775.db2.gz DKJUCPGXTHRQCP-UHFFFAOYSA-N 0 3 208.309 0.604 20 0 BCADHN O=C1CCN(CCOc2ccccc2)CCN1 ZINC000054867661 384858814 /nfs/dbraw/zinc/85/88/14/384858814.db2.gz SXNMVCFTQQWKFQ-UHFFFAOYSA-N 0 3 234.299 0.887 20 0 BCADHN COCCC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177066151 384859539 /nfs/dbraw/zinc/85/95/39/384859539.db2.gz HWJXUGVQPHQZSC-NXEZZACHSA-N 0 3 226.320 0.764 20 0 BCADHN CO[C@@]1(C)C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643729336 384866559 /nfs/dbraw/zinc/86/65/59/384866559.db2.gz WVSLGNJJUCTSCG-QYTUQVAYSA-N 0 3 240.347 0.996 20 0 BCADHN CCN(C)C(=O)NCCCN(C)CCOC ZINC000101793548 384868181 /nfs/dbraw/zinc/86/81/81/384868181.db2.gz IDUACQDYWHYWKB-UHFFFAOYSA-N 0 3 231.340 0.616 20 0 BCADHN Cn1c(CN2C3CCC2CC3)cc(=O)n(C)c1=O ZINC000648212251 384868363 /nfs/dbraw/zinc/86/83/63/384868363.db2.gz MMIQNOVHTWCHTJ-UHFFFAOYSA-N 0 3 249.314 0.211 20 0 BCADHN Cc1ncc(CNCCSCCCO)cn1 ZINC000336673956 384869394 /nfs/dbraw/zinc/86/93/94/384869394.db2.gz BCVXIPALYCENFT-UHFFFAOYSA-N 0 3 241.360 0.990 20 0 BCADHN CC(C)(C)[C@H](O)CNCC(=O)N1CCCC1 ZINC000304226883 259660363 /nfs/dbraw/zinc/66/03/63/259660363.db2.gz JIWRQLKQWOKPIF-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CC1(CC(F)F)CN(CCC(N)=O)C1 ZINC000647613882 384954895 /nfs/dbraw/zinc/95/48/95/384954895.db2.gz YZDYDBBTNVZJCU-UHFFFAOYSA-N 0 3 206.236 0.839 20 0 BCADHN CN1CCC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC000335541931 384899239 /nfs/dbraw/zinc/89/92/39/384899239.db2.gz QBYQFOGVNSLCIW-VHSXEESVSA-N 0 3 208.305 0.997 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC000335541929 384899926 /nfs/dbraw/zinc/89/99/26/384899926.db2.gz QBYQFOGVNSLCIW-NXEZZACHSA-N 0 3 208.305 0.997 20 0 BCADHN Cc1cnc(NC(=O)C[C@H]2CNCCO2)s1 ZINC000085618903 384958808 /nfs/dbraw/zinc/95/88/08/384958808.db2.gz HHHMMDJVUPCXNS-QMMMGPOBSA-N 0 3 241.316 0.769 20 0 BCADHN CO[C@H](C)CN(CCO)[C@H]1CCO[C@H]1C ZINC000361567269 384905549 /nfs/dbraw/zinc/90/55/49/384905549.db2.gz UASIDLACMHVXHA-VWYCJHECSA-N 0 3 217.309 0.493 20 0 BCADHN Cn1cncc1CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000156612742 384906942 /nfs/dbraw/zinc/90/69/42/384906942.db2.gz RBHAHDPCCQZYEW-WCQGTBRESA-N 0 3 221.304 0.623 20 0 BCADHN CSC[C@H](C)NC(=O)C1(N)CCC1 ZINC000127622232 384908691 /nfs/dbraw/zinc/90/86/91/384908691.db2.gz UWIUMZPIGDQJSI-ZETCQYMHSA-N 0 3 202.323 0.736 20 0 BCADHN CCCC[C@@](C)(CO)NCc1cnnn1C ZINC000647239586 384909185 /nfs/dbraw/zinc/90/91/85/384909185.db2.gz FRXGTHGLTGNRFJ-NSHDSACASA-N 0 3 226.324 0.846 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCOC[C@@H](O)C1 ZINC000331936719 384958946 /nfs/dbraw/zinc/95/89/46/384958946.db2.gz XBZFRGWLJQNWSD-VHSXEESVSA-N 0 3 217.309 0.087 20 0 BCADHN COCCCN1CCN(C2CCOCC2)CC1 ZINC000175480688 384917680 /nfs/dbraw/zinc/91/76/80/384917680.db2.gz YDBIGQTWARYXIQ-UHFFFAOYSA-N 0 3 242.363 0.820 20 0 BCADHN CC[C@@H](C)N(C)C(=O)[C@]1(F)CCNC1 ZINC000366337908 384918675 /nfs/dbraw/zinc/91/86/75/384918675.db2.gz MLNAYBNQIFAWJE-SCZZXKLOSA-N 0 3 202.273 0.945 20 0 BCADHN CCC[C@H](O)CNC(=O)C(N)C(F)(F)F ZINC000336759018 384919554 /nfs/dbraw/zinc/91/95/54/384919554.db2.gz ZTEPLAMIGKBTHU-WDSKDSINSA-N 0 3 228.214 0.153 20 0 BCADHN CCC[C@@H](C)N1CCN(CCO)CC1 ZINC000177228373 384923402 /nfs/dbraw/zinc/92/34/02/384923402.db2.gz IXSGVYZDIKJDFA-LLVKDONJSA-N 0 3 200.326 0.785 20 0 BCADHN CC[C@H]1C[C@@H](NC(=O)COC2CNC2)CCO1 ZINC000564942489 384924633 /nfs/dbraw/zinc/92/46/33/384924633.db2.gz KYRUZUJMDZIUCO-UWVGGRQHSA-N 0 3 242.319 0.049 20 0 BCADHN COC(=O)[C@@]1(C)CCN(C(=O)CNC2CC2)C1 ZINC000237103389 384927008 /nfs/dbraw/zinc/92/70/08/384927008.db2.gz QUSWUVZEUJVGSV-LBPRGKRZSA-N 0 3 240.303 0.150 20 0 BCADHN CCCCNC(=O)CN1CC[C@@](C)(C(N)=O)C1 ZINC000361570110 384927168 /nfs/dbraw/zinc/92/71/68/384927168.db2.gz AGEZAKYDUWWMQF-GFCCVEGCSA-N 0 3 241.335 0.100 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000261586471 384932403 /nfs/dbraw/zinc/93/24/03/384932403.db2.gz RCGDVSRWXRKGOB-SCZZXKLOSA-N 0 3 241.360 0.814 20 0 BCADHN CCc1cc(NC(=O)CNC2CC2)n(C)n1 ZINC000237129838 384933145 /nfs/dbraw/zinc/93/31/45/384933145.db2.gz CIKSAGBAWUOHAC-UHFFFAOYSA-N 0 3 222.292 0.673 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)[C@H](N)C2CCC2)C1 ZINC000331899680 384935917 /nfs/dbraw/zinc/93/59/17/384935917.db2.gz BMOBTEQPZCITSR-GMTAPVOTSA-N 0 3 226.320 0.798 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCCn1ccnc1 ZINC000081899267 384941688 /nfs/dbraw/zinc/94/16/88/384941688.db2.gz WKCYIMMMOBINPU-SNVBAGLBSA-N 0 3 245.348 0.296 20 0 BCADHN C[C@@H](CO)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000096486440 384942757 /nfs/dbraw/zinc/94/27/57/384942757.db2.gz WUNUYGMPQOSIBC-NAKRPEOUSA-N 0 3 228.336 0.745 20 0 BCADHN COc1ccccc1CNC[C@H]1CNCCO1 ZINC000258886832 384943829 /nfs/dbraw/zinc/94/38/29/384943829.db2.gz JQDOUWIXTRAPHI-GFCCVEGCSA-N 0 3 236.315 0.773 20 0 BCADHN CC(C)N1C[C@H](NC[C@@H](O)C(C)(C)C)CC1=O ZINC000644535995 384944399 /nfs/dbraw/zinc/94/43/99/384944399.db2.gz BAHUDPAPUYMRQZ-GHMZBOCLSA-N 0 3 242.363 0.992 20 0 BCADHN Cn1cc(CNC[C@H](O)CO)c(C(C)(C)C)n1 ZINC000127924202 384964674 /nfs/dbraw/zinc/96/46/74/384964674.db2.gz FUAWVKNPEFKTFK-JTQLQIEISA-N 0 3 241.335 0.160 20 0 BCADHN CC(C)OC(=O)[C@H](C)CNC(=O)C1(N)CCC1 ZINC000449301403 384968022 /nfs/dbraw/zinc/96/80/22/384968022.db2.gz RJKBDLWQQMJART-SECBINFHSA-N 0 3 242.319 0.572 20 0 BCADHN CN(CCNC(=O)[C@H]1C[C@]12CCOC2)C1CC1 ZINC000364087777 384968646 /nfs/dbraw/zinc/96/86/46/384968646.db2.gz URAOZADSCAPFEN-YPMHNXCESA-N 0 3 238.331 0.623 20 0 BCADHN CS[C@@H]1CN(C(C)=O)C[C@@H]1N(C)C ZINC000306456671 384968898 /nfs/dbraw/zinc/96/88/98/384968898.db2.gz TTXGHYLIGUBWDE-DTWKUNHWSA-N 0 3 202.323 0.510 20 0 BCADHN O=C([C@H]1CCCc2n[nH]cc21)N1CCCNCC1 ZINC000647614880 384968983 /nfs/dbraw/zinc/96/89/83/384968983.db2.gz PPOHQWVQSFXKKZ-JTQLQIEISA-N 0 3 248.330 0.652 20 0 BCADHN C[C@H](NCC1(S(C)(=O)=O)CC1)[C@@H]1CCCO1 ZINC000309595400 384971272 /nfs/dbraw/zinc/97/12/72/384971272.db2.gz WCBULXXCOJWPNF-UWVGGRQHSA-N 0 3 247.360 0.721 20 0 BCADHN c1cc(CNCCc2nnc[nH]2)sn1 ZINC000404411830 384977948 /nfs/dbraw/zinc/97/79/48/384977948.db2.gz JSMRECWWYZNAGN-UHFFFAOYSA-N 0 3 209.278 0.594 20 0 BCADHN CO[C@@H](CNC[C@H](C)S(C)(=O)=O)C(C)C ZINC000644580912 384987789 /nfs/dbraw/zinc/98/77/89/384987789.db2.gz SYPZVQDGYYJKMV-UWVGGRQHSA-N 0 3 237.365 0.680 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCC[C@H](CO)C2)C1 ZINC000557514042 384993399 /nfs/dbraw/zinc/99/33/99/384993399.db2.gz HNKPAMFYOMSCHK-NEPJUHHUSA-N 0 3 240.347 0.559 20 0 BCADHN CCc1n[nH]c(=O)c(CNC[C@@H](C)O)c1CC ZINC000644596268 384994362 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385191738 /nfs/dbraw/zinc/19/17/38/385191738.db2.gz CDMWMTZDPKJMIU-LURJTMIESA-N 0 3 219.235 0.828 20 0 BCADHN CC[C@@H](C(=O)NCc1nccc(N)n1)N(C)C ZINC000152560195 385191723 /nfs/dbraw/zinc/19/17/23/385191723.db2.gz ANCLQHFMAPEPRW-QMMMGPOBSA-N 0 3 237.307 0.015 20 0 BCADHN Cn1cncc1CN1CCC[C@@H](CC(N)=O)C1 ZINC000177178871 385194805 /nfs/dbraw/zinc/19/48/05/385194805.db2.gz CYFKCLPKEFKJGS-JTQLQIEISA-N 0 3 236.319 0.508 20 0 BCADHN C[C@@H](N)C(=O)Nc1cnn(CC2CC2)c1 ZINC000178163552 385195358 /nfs/dbraw/zinc/19/53/58/385195358.db2.gz FISUNKPFENAIJR-SSDOTTSWSA-N 0 3 208.265 0.579 20 0 BCADHN Cn1cc(CN2CC[C@@H]3CN(C)C[C@@H]32)cn1 ZINC000644728277 385195895 /nfs/dbraw/zinc/19/58/95/385195895.db2.gz GYJFXEQLJRQILK-NEPJUHHUSA-N 0 3 220.320 0.556 20 0 BCADHN CCN(C)C(=O)CCN(CC(N)=O)CC(C)C ZINC000178189262 385196338 /nfs/dbraw/zinc/19/63/38/385196338.db2.gz UGQNWFNAAZTYTJ-UHFFFAOYSA-N 0 3 243.351 0.298 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ccn[nH]2)CN1C1CC1 ZINC000177211044 385197026 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240.347 0.844 20 0 BCADHN C[C@H](O)CN[C@H]1C[C@H]2CCCCN2C1=O ZINC000564860978 385179060 /nfs/dbraw/zinc/17/90/60/385179060.db2.gz ZIUIGAQNFRVOQK-AEJSXWLSSA-N 0 3 212.293 0.110 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)[nH]n1 ZINC000262846033 385201377 /nfs/dbraw/zinc/20/13/77/385201377.db2.gz YMQIXQXVVWZUPY-BDAKNGLRSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)n[nH]1 ZINC000262846033 385201384 /nfs/dbraw/zinc/20/13/84/385201384.db2.gz YMQIXQXVVWZUPY-BDAKNGLRSA-N 0 3 222.292 0.541 20 0 BCADHN COC[C@@H](O)CNCc1ccc2cncn2c1 ZINC000564860989 385180518 /nfs/dbraw/zinc/18/05/18/385180518.db2.gz ZUSHBPHDDOLOMP-LBPRGKRZSA-N 0 3 235.287 0.431 20 0 BCADHN CCN(CC)C(=O)CCCNC(=O)C1(N)CC1 ZINC000237014348 385181155 /nfs/dbraw/zinc/18/11/55/385181155.db2.gz RMLSYJBXBYBJHX-UHFFFAOYSA-N 0 3 241.335 0.243 20 0 BCADHN COCCCNC(=O)CN[C@H]1COCC1(C)C ZINC000313027947 385208335 /nfs/dbraw/zinc/20/83/35/385208335.db2.gz UMKBDHHMIDIGCQ-JTQLQIEISA-N 0 3 244.335 0.154 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)c1ccccc1 ZINC000152724051 385208609 /nfs/dbraw/zinc/20/86/09/385208609.db2.gz PTDFYADYIAEJHM-CYBMUJFWSA-N 0 3 236.315 0.729 20 0 BCADHN CN(C)CCn1ccc(NCc2cncn2C)n1 ZINC000119774723 385211065 /nfs/dbraw/zinc/21/10/65/385211065.db2.gz KNRFRZOHIHTDAR-UHFFFAOYSA-N 0 3 248.334 0.790 20 0 BCADHN C[C@@]1(CNC(=O)[C@@]2(F)CCNC2)CCCO1 ZINC000157533873 385212614 /nfs/dbraw/zinc/21/26/14/385212614.db2.gz FBASCWMPYUDRPQ-WDEREUQCSA-N 0 3 230.283 0.373 20 0 BCADHN CCCCN(C)CCNC(=O)C[C@@H](O)CC ZINC000448959727 385214921 /nfs/dbraw/zinc/21/49/21/385214921.db2.gz AAPDGTDDJLLXKU-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN CC[C@H](N)C(=O)Nc1cnccc1OC ZINC000166575248 385256454 /nfs/dbraw/zinc/25/64/54/385256454.db2.gz LYEMKKJXFPAOAC-ZETCQYMHSA-N 0 3 209.249 0.766 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)c1cnns1 ZINC000647075980 385230456 /nfs/dbraw/zinc/23/04/56/385230456.db2.gz KRLSWRZWYKKWHK-ZCFIWIBFSA-N 0 3 248.258 0.265 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)c1ccsc1 ZINC000153026808 385231179 /nfs/dbraw/zinc/23/11/79/385231179.db2.gz SLVZKCDOMGSVSP-LLVKDONJSA-N 0 3 242.344 0.791 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H](C)c1nncn1C ZINC000037622197 385233042 /nfs/dbraw/zinc/23/30/42/385233042.db2.gz YATNQBTYELEULV-GZMMTYOYSA-N 0 3 239.323 0.510 20 0 BCADHN CC(C)NC(=O)NCCN(C)[C@@H]1CCOC1 ZINC000516647377 385239311 /nfs/dbraw/zinc/23/93/11/385239311.db2.gz PDXZUQSICVQDJV-SNVBAGLBSA-N 0 3 229.324 0.415 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@H](C)C[C@H]1[C@@H](C)O ZINC000408432514 385257499 /nfs/dbraw/zinc/25/74/99/385257499.db2.gz GSKQPKJSBSJTOI-UTUOFQBUSA-N 0 3 242.363 0.992 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000157658556 385241952 /nfs/dbraw/zinc/24/19/52/385241952.db2.gz JYGYQHPNMBSGRK-UWVGGRQHSA-N 0 3 226.320 0.942 20 0 BCADHN CC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C(=O)OC ZINC000237021161 385242277 /nfs/dbraw/zinc/24/22/77/385242277.db2.gz IVFBBMMWINVVRT-JGVFFNPUSA-N 0 3 230.308 0.428 20 0 BCADHN C[C@@H]1N([C@H]2CCNC2=O)CCC12CCOCC2 ZINC000336395518 385245025 /nfs/dbraw/zinc/24/50/25/385245025.db2.gz QPHDLKQKQFWJBX-QWRGUYRKSA-N 0 3 238.331 0.766 20 0 BCADHN CCN(C)CCNC(=O)c1snnc1C ZINC000190524090 385245083 /nfs/dbraw/zinc/24/50/83/385245083.db2.gz AEEYVUOGATXEMP-UHFFFAOYSA-N 0 3 228.321 0.528 20 0 BCADHN CC(C)C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000364203029 385246511 /nfs/dbraw/zinc/24/65/11/385246511.db2.gz VPAFHMVBXCLSJM-NSHDSACASA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@H]2CCCO2)CCN1 ZINC000062612268 385247003 /nfs/dbraw/zinc/24/70/03/385247003.db2.gz UQAUODLMGSLXDV-MNOVXSKESA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](C(=O)NC[C@@H]1CNCCO1)c1cccnc1 ZINC000647086605 385248306 /nfs/dbraw/zinc/24/83/06/385248306.db2.gz LGTVYFRMFKWALS-JQWIXIFHSA-N 0 3 249.314 0.290 20 0 BCADHN CCCn1ncnc1CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000644730229 385257891 /nfs/dbraw/zinc/25/78/91/385257891.db2.gz PCWIJOUUQNKSGI-RYUDHWBXSA-N 0 3 249.362 0.824 20 0 BCADHN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1ccco1 ZINC000308884453 385250722 /nfs/dbraw/zinc/25/07/22/385250722.db2.gz VHYCGHLVGHXEGV-SSDOTTSWSA-N 0 3 218.278 0.153 20 0 BCADHN Cn1ccnc1CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000644730465 385255136 /nfs/dbraw/zinc/25/51/36/385255136.db2.gz VSNIGFMKXSVOSF-QWRGUYRKSA-N 0 3 220.320 0.556 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000152723571 385205487 /nfs/dbraw/zinc/20/54/87/385205487.db2.gz PZDPXTZIEXCSNZ-VIFPVBQESA-N 0 3 233.271 0.857 20 0 BCADHN C[C@H](N)C(=O)NCCCCNc1ccccn1 ZINC000167229068 385304613 /nfs/dbraw/zinc/30/46/13/385304613.db2.gz NFEHHKPGXQZZPC-JTQLQIEISA-N 0 3 236.319 0.737 20 0 BCADHN C[C@@H](N)C(=O)NCCCCNc1ccccn1 ZINC000167229169 385304712 /nfs/dbraw/zinc/30/47/12/385304712.db2.gz NFEHHKPGXQZZPC-SNVBAGLBSA-N 0 3 236.319 0.737 20 0 BCADHN CC(C)N1CC[C@@H](N(C)C[C@@H]2CCOC2)C1=O ZINC000178763183 385324196 /nfs/dbraw/zinc/32/41/96/385324196.db2.gz YAUUBRGKZMRKPT-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(CCCCCn1cccn1)CC(N)=O ZINC000191703975 385317145 /nfs/dbraw/zinc/31/71/45/385317145.db2.gz PSSAPAAFUPBTGM-UHFFFAOYSA-N 0 3 238.335 0.861 20 0 BCADHN Cc1ccc(NC(=O)C[C@@H]2CNCCO2)cn1 ZINC000164856645 385317953 /nfs/dbraw/zinc/31/79/53/385317953.db2.gz XSSZVKCUXOUKCP-LLVKDONJSA-N 0 3 235.287 0.707 20 0 BCADHN CSCCCNC(=O)[C@]1(F)CCNC1 ZINC000308966152 385319183 /nfs/dbraw/zinc/31/91/83/385319183.db2.gz VURUYHCUVGZZNY-VIFPVBQESA-N 0 3 220.313 0.557 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NC[C@H](O)c1ccccc1 ZINC000294845645 385258540 /nfs/dbraw/zinc/25/85/40/385258540.db2.gz ULONITIYZLRSTK-MFKMUULPSA-N 0 3 248.326 0.977 20 0 BCADHN CCN(CCNC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC000153527190 385261682 /nfs/dbraw/zinc/26/16/82/385261682.db2.gz ZESCUFAXZFPZKM-UHFFFAOYSA-N 0 3 249.314 0.589 20 0 BCADHN CC(C)CNC(=O)CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000644731637 385262458 /nfs/dbraw/zinc/26/24/58/385262458.db2.gz NTLRUYGDBBIWKS-RYUDHWBXSA-N 0 3 239.363 0.395 20 0 BCADHN C[C@H](O)CN(CCc1ccccn1)[C@@H](C)CO ZINC000190827956 385262628 /nfs/dbraw/zinc/26/26/28/385262628.db2.gz MPFXWAIQXPJATA-RYUDHWBXSA-N 0 3 238.331 0.688 20 0 BCADHN CC[C@@H](CCO)CNC(=O)N[C@@H](C)CN(C)C ZINC000358510711 385263331 /nfs/dbraw/zinc/26/33/31/385263331.db2.gz WUXWYFDHTNCJLW-QWRGUYRKSA-N 0 3 245.367 0.644 20 0 BCADHN Cc1cnc(CN2CC[C@@H]3CN(C)C[C@@H]32)nc1 ZINC000644731575 385263685 /nfs/dbraw/zinc/26/36/85/385263685.db2.gz GDDZOLBOZOURQI-NEPJUHHUSA-N 0 3 232.331 0.921 20 0 BCADHN C[C@@H](O)CN(Cc1ccncc1)[C@@H](C)CO ZINC000190814452 385264112 /nfs/dbraw/zinc/26/41/12/385264112.db2.gz LTFCYOAUKGDTLL-WDEREUQCSA-N 0 3 224.304 0.645 20 0 BCADHN CC[C@H](CCO)CNC(=O)N[C@@H](C)CN(C)C ZINC000358510729 385264102 /nfs/dbraw/zinc/26/41/02/385264102.db2.gz WUXWYFDHTNCJLW-WDEREUQCSA-N 0 3 245.367 0.644 20 0 BCADHN CN(C)CCNC(=O)Nc1cnns1 ZINC000190788446 385264459 /nfs/dbraw/zinc/26/44/59/385264459.db2.gz PZXJXJDWCAIBFA-UHFFFAOYSA-N 0 3 215.282 0.221 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000153563704 385265553 /nfs/dbraw/zinc/26/55/53/385265553.db2.gz QAXRLUYTRARAPO-QWRGUYRKSA-N 0 3 240.278 0.713 20 0 BCADHN C[C@@H](O)CN(Cc1cccnc1)[C@@H](C)CO ZINC000190856923 385265650 /nfs/dbraw/zinc/26/56/50/385265650.db2.gz UUMQWFXJEYAMLC-WDEREUQCSA-N 0 3 224.304 0.645 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](C)N)CCN1CC(F)F ZINC000237040382 385266417 /nfs/dbraw/zinc/26/64/17/385266417.db2.gz DMSHVLWNXMLTDC-IUCAKERBSA-N 0 3 249.305 0.522 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC(CNC(C)=O)CC1 ZINC000227872920 385270870 /nfs/dbraw/zinc/27/08/70/385270870.db2.gz RPTPPGMWRDEKSW-NSHDSACASA-N 0 3 241.335 0.098 20 0 BCADHN O=C1C[C@H](c2ccccc2)N(CCO)CCN1 ZINC000177689719 385271661 /nfs/dbraw/zinc/27/16/61/385271661.db2.gz AYCKFJBEYKMDKH-GFCCVEGCSA-N 0 3 234.299 0.542 20 0 BCADHN C[C@@H](CN(C)C)Nc1cn[nH]c(=O)c1Cl ZINC000130631948 385271675 /nfs/dbraw/zinc/27/16/75/385271675.db2.gz MZOJZFUUAPRGGB-LURJTMIESA-N 0 3 230.699 0.785 20 0 BCADHN CN(C)C(=O)CN1CC[C@]2(CCOC2)C1 ZINC000153664882 385274565 /nfs/dbraw/zinc/27/45/65/385274565.db2.gz CINKYKPKRHEWOR-NSHDSACASA-N 0 3 212.293 0.187 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@@H](N)CC(C)C ZINC000157745839 385274811 /nfs/dbraw/zinc/27/48/11/385274811.db2.gz NZJBVOGCYDILKU-UWVGGRQHSA-N 0 3 216.325 0.637 20 0 BCADHN COC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000360609800 385281227 /nfs/dbraw/zinc/28/12/27/385281227.db2.gz GNLIBFBCCKRYQY-GARJFASQSA-N 0 3 230.352 0.971 20 0 BCADHN CCCCN(C)C(=O)COC1CNC1 ZINC000308907979 385284136 /nfs/dbraw/zinc/28/41/36/385284136.db2.gz FGSQSUPOLGGZGG-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN CN1C[C@@H]2CCN(C[C@H](O)C(F)(F)F)[C@@H]2C1 ZINC000644732577 385291976 /nfs/dbraw/zinc/29/19/76/385291976.db2.gz LKASCROGEMBLIU-YIZRAAEISA-N 0 3 238.253 0.546 20 0 BCADHN Cc1n[nH]c(C)c1[C@H](C)C(=O)NCCN(C)C ZINC000130858824 385292319 /nfs/dbraw/zinc/29/23/19/385292319.db2.gz RLTINQZLUOKXJB-QMMMGPOBSA-N 0 3 238.335 0.808 20 0 BCADHN CC(C)[C@@](C)(NCCc1cnccn1)C(N)=O ZINC000402798280 385295021 /nfs/dbraw/zinc/29/50/21/385295021.db2.gz VZDRIWBKLDYSQM-GFCCVEGCSA-N 0 3 236.319 0.509 20 0 BCADHN CC(C)[C@@H](CO)CN[C@@H](C)CS(C)(=O)=O ZINC000336763416 385295593 /nfs/dbraw/zinc/29/55/93/385295593.db2.gz PDIHOEMLITWOOO-VHSXEESVSA-N 0 3 237.365 0.274 20 0 BCADHN Cc1cnn(CCN2CCC[C@@H](O)C2)c1 ZINC000308940697 385299366 /nfs/dbraw/zinc/29/93/66/385299366.db2.gz RWDIAJZOUPBQGL-LLVKDONJSA-N 0 3 209.293 0.648 20 0 BCADHN CCN1C[C@@H](N[C@@H](C)COC)CC1=O ZINC000391592378 385329722 /nfs/dbraw/zinc/32/97/22/385329722.db2.gz FYBQDERVIZGNSB-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@@H](NCC1([S@@](C)=O)CC1)c1cn[nH]c1 ZINC000308978479 385330029 /nfs/dbraw/zinc/33/00/29/385330029.db2.gz HGRWOEUQGVOQJV-ANRSDYALSA-N 0 3 227.333 0.971 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@@H]2COC[C@H]2O)C12CCC2 ZINC000323354193 385336048 /nfs/dbraw/zinc/33/60/48/385336048.db2.gz AMFMGSOMBLHULR-WISYIIOYSA-N 0 3 241.331 0.683 20 0 BCADHN C[C@H](NCC1=CCCOC1)C(=O)N(C)C ZINC000308995883 385337172 /nfs/dbraw/zinc/33/71/72/385337172.db2.gz MOIYKUFWDNIKKI-VIFPVBQESA-N 0 3 212.293 0.399 20 0 BCADHN CN1CC[C@H]2CCN(c3nccn(C)c3=O)C[C@@H]21 ZINC000364302331 385339752 /nfs/dbraw/zinc/33/97/52/385339752.db2.gz IGOIKABBTSDMIN-QWRGUYRKSA-N 0 3 248.330 0.311 20 0 BCADHN C[C@@H](N[C@@H]1CCOC1)C(=O)NCc1ccco1 ZINC000131491872 385340102 /nfs/dbraw/zinc/34/01/02/385340102.db2.gz XWFZXZMEACIEHN-NXEZZACHSA-N 0 3 238.287 0.663 20 0 BCADHN CCN(C)CCNC(=O)Cc1cc(C)[nH]n1 ZINC000154617690 385341836 /nfs/dbraw/zinc/34/18/36/385341836.db2.gz CUZLPUJBQRIEKQ-UHFFFAOYSA-N 0 3 224.308 0.329 20 0 BCADHN CCN(C)CCNC(=O)Cc1cc(C)n[nH]1 ZINC000154617690 385341841 /nfs/dbraw/zinc/34/18/41/385341841.db2.gz CUZLPUJBQRIEKQ-UHFFFAOYSA-N 0 3 224.308 0.329 20 0 BCADHN C[NH2+]C[C@H](C)CNC(=O)c1ccccc1[O-] ZINC000168297299 385342537 /nfs/dbraw/zinc/34/25/37/385342537.db2.gz YLUCIYYJIMVQCI-VIFPVBQESA-N 0 3 222.288 0.978 20 0 BCADHN COc1ccc(CN[C@@H]2CCC(=O)N(C)C2)cn1 ZINC000158114347 385346183 /nfs/dbraw/zinc/34/61/83/385346183.db2.gz QLHRNSNWCKIYQM-LLVKDONJSA-N 0 3 249.314 0.801 20 0 BCADHN CCN(CCNC(=O)c1cn(C)cn1)C1CC1 ZINC000178231293 385346563 /nfs/dbraw/zinc/34/65/63/385346563.db2.gz GBXADSFCAHGRJF-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN Cc1cc(CNC(=O)[C@@H]2NCC2(C)C)no1 ZINC000643986549 385347986 /nfs/dbraw/zinc/34/79/86/385347986.db2.gz ZXEHZERNAKYIKF-VIFPVBQESA-N 0 3 223.276 0.597 20 0 BCADHN C[C@H](CNC(=O)CCOC1CNC1)C1CC1 ZINC000643982402 385348410 /nfs/dbraw/zinc/34/84/10/385348410.db2.gz CCMYBGLTRIYXHE-SECBINFHSA-N 0 3 226.320 0.527 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCC[C@](C)(O)C1 ZINC000408457708 385349053 /nfs/dbraw/zinc/34/90/53/385349053.db2.gz QDIOZQOQHXRHDK-QWRGUYRKSA-N 0 3 215.293 0.173 20 0 BCADHN C[C@H](NCCC(=O)N(C)C)c1ccnn1C ZINC000192249835 385349838 /nfs/dbraw/zinc/34/98/38/385349838.db2.gz ZOCRVIWBIGKSNW-VIFPVBQESA-N 0 3 224.308 0.549 20 0 BCADHN O=C(NC[C@H]1CCCO1)[C@@H]1CNCCC1(F)F ZINC000643984066 385350363 /nfs/dbraw/zinc/35/03/63/385350363.db2.gz RHYNCHSEZGSRQR-BDAKNGLRSA-N 0 3 248.273 0.526 20 0 BCADHN O=C(NC[C@@H]1CCCO1)[C@H]1CNCCC1(F)F ZINC000643984067 385351962 /nfs/dbraw/zinc/35/19/62/385351962.db2.gz RHYNCHSEZGSRQR-DTWKUNHWSA-N 0 3 248.273 0.526 20 0 BCADHN N[C@H](CC(F)F)C(=O)NC[C@H]1CCCS1 ZINC000309044243 385389578 /nfs/dbraw/zinc/38/95/78/385389578.db2.gz MAJVUTFRQLXCRZ-RNFRBKRXSA-N 0 3 238.303 0.981 20 0 BCADHN Cc1nccc(CN2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000644735026 385352270 /nfs/dbraw/zinc/35/22/70/385352270.db2.gz UGFAQUGOSSIFLQ-DGCLKSJQSA-N 0 3 232.331 0.921 20 0 BCADHN C[C@@H]1NCCN(C(=O)Cn2cccn2)[C@H]1C ZINC000262728541 385353325 /nfs/dbraw/zinc/35/33/25/385353325.db2.gz AXQFPTUZEZCXJL-UWVGGRQHSA-N 0 3 222.292 0.092 20 0 BCADHN Cc1nnc(CN2CC[C@H]3CN(C)C[C@@H]32)s1 ZINC000644734413 385353577 /nfs/dbraw/zinc/35/35/77/385353577.db2.gz NJEFQSZCZCEHHA-UWVGGRQHSA-N 0 3 238.360 0.982 20 0 BCADHN CCc1noc(CN2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000644735323 385355146 /nfs/dbraw/zinc/35/51/46/385355146.db2.gz XZOWWCMUQKFZEL-ZJUUUORDSA-N 0 3 236.319 0.768 20 0 BCADHN CN(CC(F)F)C(=O)C(N)C(F)(F)F ZINC000309005830 385356209 /nfs/dbraw/zinc/35/62/09/385356209.db2.gz PUAGSWQCZAOIKR-BYPYZUCNSA-N 0 3 220.141 0.600 20 0 BCADHN C[C@H](NC(=O)[C@H]1NCC1(C)C)c1cnn(C)c1 ZINC000643991110 385358260 /nfs/dbraw/zinc/35/82/60/385358260.db2.gz ILGGSNQAMHLDRH-WCBMZHEXSA-N 0 3 236.319 0.595 20 0 BCADHN CCOCCCCNC(=O)[C@H]1NCC1(C)C ZINC000643991594 385359347 /nfs/dbraw/zinc/35/93/47/385359347.db2.gz OLWNCCOOZYOXAZ-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN CCc1nc(CN2CC[C@@H]3CN(C)C[C@H]32)no1 ZINC000644736630 385389865 /nfs/dbraw/zinc/38/98/65/385389865.db2.gz OXZRTJMODVUVQO-NXEZZACHSA-N 0 3 236.319 0.768 20 0 BCADHN CC[C@H](COC)NC[C@@H](O)c1cnn(C)c1 ZINC000168290951 385360153 /nfs/dbraw/zinc/36/01/53/385360153.db2.gz ZODLICVZFFZNFU-GHMZBOCLSA-N 0 3 227.308 0.468 20 0 BCADHN COCC[C@](C)(O)CN[C@H](C)c1cnn(C)c1 ZINC000178374837 385361788 /nfs/dbraw/zinc/36/17/88/385361788.db2.gz QOUPDWDZAMIINJ-PWSUYJOCSA-N 0 3 241.335 0.858 20 0 BCADHN CN(C)CCOc1cc(C(N)=O)ccn1 ZINC000154866286 385361837 /nfs/dbraw/zinc/36/18/37/385361837.db2.gz IFKJBIUMORQAEX-UHFFFAOYSA-N 0 3 209.249 0.121 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCOC(C)C ZINC000120530736 385363113 /nfs/dbraw/zinc/36/31/13/385363113.db2.gz BYEAZJZUKAMFAJ-SNVBAGLBSA-N 0 3 237.365 0.824 20 0 BCADHN Cc1cnn([C@H]2CCCN(C(=O)[C@H](C)N)C2)c1 ZINC000168359203 385364636 /nfs/dbraw/zinc/36/46/36/385364636.db2.gz DCNKXSJFORBJBC-QWRGUYRKSA-N 0 3 236.319 0.702 20 0 BCADHN C[C@H](CCCCO)NCc1cn(C)nn1 ZINC000309024388 385366302 /nfs/dbraw/zinc/36/63/02/385366302.db2.gz ZAJUWUNFMITSKD-SECBINFHSA-N 0 3 212.297 0.456 20 0 BCADHN C[C@H](F)CCN[C@H](CO)c1cnn(C)c1 ZINC000309025624 385367181 /nfs/dbraw/zinc/36/71/81/385367181.db2.gz ZSXCAAJYVAXCHB-WCBMZHEXSA-N 0 3 215.272 0.791 20 0 BCADHN CCOC(=O)CCN1CCC[C@H]1CC(=O)OC ZINC000179128600 385368088 /nfs/dbraw/zinc/36/80/88/385368088.db2.gz PBIRKYIYDSJYPN-JTQLQIEISA-N 0 3 243.303 0.967 20 0 BCADHN Cn1cc(NC(=O)[C@H]2NCC2(C)C)ccc1=O ZINC000644005903 385369165 /nfs/dbraw/zinc/36/91/65/385369165.db2.gz SYZIZVNTWTYEMX-SNVBAGLBSA-N 0 3 235.287 0.322 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NC[C@@H]1CCCOC1 ZINC000644005793 385370152 /nfs/dbraw/zinc/37/01/52/385370152.db2.gz DTLYIKJTJAFTSN-UWVGGRQHSA-N 0 3 226.320 0.527 20 0 BCADHN COC(=O)CCN1CCC[C@]12CCOC2 ZINC000309015818 385370837 /nfs/dbraw/zinc/37/08/37/385370837.db2.gz ZJGDHXSBDJYATK-LLVKDONJSA-N 0 3 213.277 0.804 20 0 BCADHN CCCCNC(=O)[C@@H](C)N1CCNCC1 ZINC000019976881 385371049 /nfs/dbraw/zinc/37/10/49/385371049.db2.gz BQNUFWVCTIINIG-SNVBAGLBSA-N 0 3 213.325 0.196 20 0 BCADHN Cc1cnn(C)c1CN[C@H](C)C[S@](C)=O ZINC000309016604 385371317 /nfs/dbraw/zinc/37/13/17/385371317.db2.gz USQPJGAGLCLMOR-PSLIRLAXSA-N 0 3 229.349 0.585 20 0 BCADHN CC(C)OCCCNC(=O)[C@H]1NCC1(C)C ZINC000644008372 385371824 /nfs/dbraw/zinc/37/18/24/385371824.db2.gz OOLYWUSMPCBELW-SNVBAGLBSA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@H](O)CN1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000192830636 385372604 /nfs/dbraw/zinc/37/26/04/385372604.db2.gz DLLPYSNWHZOEOK-TUAOUCFPSA-N 0 3 230.352 0.144 20 0 BCADHN CC[C@H](N)C(=O)NCc1cn2cccc(C)c2n1 ZINC000168494355 385372704 /nfs/dbraw/zinc/37/27/04/385372704.db2.gz SGVBJEWNNGEBQT-NSHDSACASA-N 0 3 246.314 0.996 20 0 BCADHN COCC[C@@](C)(O)CN[C@@H](C)c1ccnn1C ZINC000192871468 385374507 /nfs/dbraw/zinc/37/45/07/385374507.db2.gz QPBHADGTQULBHB-CMPLNLGQSA-N 0 3 241.335 0.858 20 0 BCADHN N[C@H](CC(F)F)C(=O)NC1CCSCC1 ZINC000309040807 385377216 /nfs/dbraw/zinc/37/72/16/385377216.db2.gz JULIBFRDZGZTII-SSDOTTSWSA-N 0 3 238.303 0.981 20 0 BCADHN CCn1nccc1NC(=O)[C@@H]1NCC1(C)C ZINC000644011756 385377446 /nfs/dbraw/zinc/37/74/46/385377446.db2.gz DKOIEYNRGCWRGO-VIFPVBQESA-N 0 3 222.292 0.840 20 0 BCADHN C[C@H](O)CN1CCC(N2CCCC2=O)CC1 ZINC000192978776 385377980 /nfs/dbraw/zinc/37/79/80/385377980.db2.gz XCUAQNIOBPBLBK-JTQLQIEISA-N 0 3 226.320 0.454 20 0 BCADHN CCN(C)CCNCc1ncc(C)n1C ZINC000309031094 385379699 /nfs/dbraw/zinc/37/96/99/385379699.db2.gz DUNUWNSBGWMRJO-UHFFFAOYSA-N 0 3 210.325 0.770 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NC[C@]1(C)CCOC1 ZINC000644018668 385380743 /nfs/dbraw/zinc/38/07/43/385380743.db2.gz UKOJGVXHJVCNQL-SKDRFNHKSA-N 0 3 226.320 0.527 20 0 BCADHN Cc1cncc(NC(=O)[C@@H]2C[C@H](O)CN2)c1 ZINC000168683218 385381367 /nfs/dbraw/zinc/38/13/67/385381367.db2.gz NYLWUMBLIVQXIN-UWVGGRQHSA-N 0 3 221.260 0.051 20 0 BCADHN CCOC[C@H](C)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000309035894 385381768 /nfs/dbraw/zinc/38/17/68/385381768.db2.gz HZZVNXQZHTWYCR-IVZWLZJFSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cncnc2)CN1C1CC1 ZINC000273861466 385382128 /nfs/dbraw/zinc/38/21/28/385382128.db2.gz USYJWIOITMXLBC-KOLCDFICSA-N 0 3 246.314 0.832 20 0 BCADHN CCOC[C@H](C)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000309035893 385382835 /nfs/dbraw/zinc/38/28/35/385382835.db2.gz HZZVNXQZHTWYCR-GUBZILKMSA-N 0 3 235.349 0.577 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000309051875 385384034 /nfs/dbraw/zinc/38/40/34/385384034.db2.gz QERPCXLRIXTQSO-RNFRBKRXSA-N 0 3 222.235 0.216 20 0 BCADHN CCOC[C@H](C)N[C@H](CO)[C@H]1CCCO1 ZINC000309051031 385384351 /nfs/dbraw/zinc/38/43/51/385384351.db2.gz RCLPFPZBASXVFU-HBNTYKKESA-N 0 3 217.309 0.541 20 0 BCADHN C[C@@H](NCCCC(=O)N(C)C)c1cn[nH]c1 ZINC000280974068 385385326 /nfs/dbraw/zinc/38/53/26/385385326.db2.gz KSOXUTMQNMDUJS-SECBINFHSA-N 0 3 224.308 0.929 20 0 BCADHN COc1cc(CNC(=O)[C@@H](C)N)ccc1C ZINC000155309622 385385917 /nfs/dbraw/zinc/38/59/17/385385917.db2.gz ZAQHXHVQHCAVCU-SECBINFHSA-N 0 3 222.288 0.967 20 0 BCADHN C[C@H](O)CN(CCO)C[C@H]1CCCCO1 ZINC000308985231 385325261 /nfs/dbraw/zinc/32/52/61/385325261.db2.gz GINWKLPAWAZOCT-WDEREUQCSA-N 0 3 217.309 0.231 20 0 BCADHN CCOC[C@@H](O)CN(CC)[C@@H]1CCOC1 ZINC000308983702 385325413 /nfs/dbraw/zinc/32/54/13/385325413.db2.gz FXUUULQBEMDUJG-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN CCC[C@H](O)CN(C)CCOCCOC ZINC000308984111 385325774 /nfs/dbraw/zinc/32/57/74/385325774.db2.gz GAMJKFQXHGIQLG-NSHDSACASA-N 0 3 219.325 0.742 20 0 BCADHN Cc1cc(C)n(CCN(C)C[C@@H](C)O)n1 ZINC000291223852 385325942 /nfs/dbraw/zinc/32/59/42/385325942.db2.gz LSRGXOOWJPUCLE-LLVKDONJSA-N 0 3 211.309 0.813 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)no1 ZINC000262753182 385326258 /nfs/dbraw/zinc/32/62/58/385326258.db2.gz HAZPCXNHLWYMIO-DTWKUNHWSA-N 0 3 223.276 0.805 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccncc1F ZINC000162053316 385425030 /nfs/dbraw/zinc/42/50/30/385425030.db2.gz WYXNOCOUSXHQGW-UHFFFAOYSA-N 0 3 225.267 0.854 20 0 BCADHN CN(C(=O)[C@@H](N)CC(F)F)[C@H]1CCOC1 ZINC000309064575 385391599 /nfs/dbraw/zinc/39/15/99/385391599.db2.gz YJWPMVZRYQWEQA-BQBZGAKWSA-N 0 3 222.235 0.216 20 0 BCADHN CC[C@H](N[C@@H]1COC[C@@H]1O)[C@H]1CCCO1 ZINC000309067776 385392600 /nfs/dbraw/zinc/39/26/00/385392600.db2.gz AHNRKBDOTJRJPC-ZRUFSTJUSA-N 0 3 215.293 0.293 20 0 BCADHN Cc1c[nH]nc1CNC[C@@H]1CCCN1C ZINC000289768879 385395475 /nfs/dbraw/zinc/39/54/75/385395475.db2.gz GIGLQTUKRDQAKK-JTQLQIEISA-N 0 3 208.309 0.902 20 0 BCADHN C[C@H](CN(C)C)Nc1ncnc2c1cnn2C ZINC000168973387 385396578 /nfs/dbraw/zinc/39/65/78/385396578.db2.gz FKHYXHLQFRWHEA-MRVPVSSYSA-N 0 3 234.307 0.725 20 0 BCADHN COC[C@H](O)CN[C@H](C)c1cnn(C)c1C ZINC000180567913 385398883 /nfs/dbraw/zinc/39/88/83/385398883.db2.gz DMEJTECCXVFCRH-PSASIEDQSA-N 0 3 227.308 0.386 20 0 BCADHN O=C1NC(=O)[C@]2(CCCN(Cc3ccco3)C2)N1 ZINC000193467671 385399407 /nfs/dbraw/zinc/39/94/07/385399407.db2.gz IHJLJZPNTGKVGJ-GFCCVEGCSA-N 0 3 249.270 0.454 20 0 BCADHN CO[C@@H]1C[C@@H](NC(=O)[C@@H]2NCC2(C)C)C1(C)C ZINC000644054404 385406607 /nfs/dbraw/zinc/40/66/07/385406607.db2.gz KLMYBYOQVBHXEG-BBBLOLIVSA-N 0 3 240.347 0.914 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000644054833 385406616 /nfs/dbraw/zinc/40/66/16/385406616.db2.gz BTZLNGPARJASBE-GXFFZTMASA-N 0 3 238.331 0.623 20 0 BCADHN CO[C@@H]1C[C@H](NC(=O)[C@H]2NCC2(C)C)C1(C)C ZINC000644054405 385406669 /nfs/dbraw/zinc/40/66/69/385406669.db2.gz KLMYBYOQVBHXEG-IVZWLZJFSA-N 0 3 240.347 0.914 20 0 BCADHN CN1CCC(NC(=O)c2ccc(=O)n(C)c2)CC1 ZINC000408019129 385413800 /nfs/dbraw/zinc/41/38/00/385413800.db2.gz DRSGSMDUFPNZSG-UHFFFAOYSA-N 0 3 249.314 0.209 20 0 BCADHN CC[C@H](N)C(=O)NCc1cn2c(cccc2C)n1 ZINC000178786835 385419365 /nfs/dbraw/zinc/41/93/65/385419365.db2.gz YNRGDVCLCXMABJ-NSHDSACASA-N 0 3 246.314 0.996 20 0 BCADHN CC[C@H](C)N(C)C(=O)C[C@H]1CNCCO1 ZINC000085619119 134449434 /nfs/dbraw/zinc/44/94/34/134449434.db2.gz XUJSABYTWIIIKA-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](NCCN1CCC1)c1ccnn1C ZINC000309117061 385422365 /nfs/dbraw/zinc/42/23/65/385422365.db2.gz LYYJFDSJPMONTG-SNVBAGLBSA-N 0 3 208.309 0.776 20 0 BCADHN CC1(C)CNCCN1C(=O)[C@H]1CC12CC2 ZINC000644074796 385423725 /nfs/dbraw/zinc/42/37/25/385423725.db2.gz CUHIRAIEYIEKSH-SECBINFHSA-N 0 3 208.305 0.997 20 0 BCADHN COC[C@H](O)CN1CCC[C@H](OCC2CC2)C1 ZINC000364435172 385439577 /nfs/dbraw/zinc/43/95/77/385439577.db2.gz QOPCIIIQJCXGGG-OLZOCXBDSA-N 0 3 243.347 0.885 20 0 BCADHN CC[C@@H](NCC(=O)N(C)C)[C@H]1CCCO1 ZINC000182373555 385442623 /nfs/dbraw/zinc/44/26/23/385442623.db2.gz RVGHDYUVVMSBFV-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000492840465 385448084 /nfs/dbraw/zinc/44/80/84/385448084.db2.gz PCWSMOGTXQGONE-XOULXFPDSA-N 0 3 248.330 0.501 20 0 BCADHN Cc1cn2c(n1)CC[C@@H](NC1COC1)C2 ZINC000309170886 385448469 /nfs/dbraw/zinc/44/84/69/385448469.db2.gz LHEIKZMOPFBHDN-SECBINFHSA-N 0 3 207.277 0.495 20 0 BCADHN Cc1nnc(CN[C@@H](C)[C@@H]2CCOC2)[nH]1 ZINC000309121571 385427526 /nfs/dbraw/zinc/42/75/26/385427526.db2.gz OBNQOBWTZGESPH-IONNQARKSA-N 0 3 210.281 0.628 20 0 BCADHN Cn1nc2c(c1NC(=O)[C@@H]1NCC1(C)C)CCC2 ZINC000644085161 385430705 /nfs/dbraw/zinc/43/07/05/385430705.db2.gz JDFCDDQZAPGFAP-JTQLQIEISA-N 0 3 248.330 0.845 20 0 BCADHN CC[C@H](N[C@H]1CCCC[C@H]1OC)C(N)=O ZINC000309140175 385433108 /nfs/dbraw/zinc/43/31/08/385433108.db2.gz GXUKNEJVQGWIAY-LPEHRKFASA-N 0 3 214.309 0.798 20 0 BCADHN CC[C@H](CO)N1CCN(C[C@@H](C)OC)CC1 ZINC000182196822 385434796 /nfs/dbraw/zinc/43/47/96/385434796.db2.gz INSXSSRNORNWBL-VXGBXAGGSA-N 0 3 230.352 0.410 20 0 BCADHN CO[C@H](C)CN1CCN(C2CCOCC2)CC1 ZINC000182209673 385434835 /nfs/dbraw/zinc/43/48/35/385434835.db2.gz REGAMDKYDYAFCC-GFCCVEGCSA-N 0 3 242.363 0.818 20 0 BCADHN CC[C@H](N[C@@H]1CCNC1=O)[C@H]1CCCO1 ZINC000182278489 385436665 /nfs/dbraw/zinc/43/66/65/385436665.db2.gz ANUSKXWDJAHWSF-IVZWLZJFSA-N 0 3 212.293 0.422 20 0 BCADHN CO[C@H](C)CN[C@@H](C(N)=O)C(C)(C)C ZINC000182333425 385438033 /nfs/dbraw/zinc/43/80/33/385438033.db2.gz CGIUZVQEWFHPIL-SFYZADRCSA-N 0 3 202.298 0.511 20 0 BCADHN CC[N@H+](C)CCNC(=O)c1ccc(O)cc1[O-] ZINC000179496467 385469052 /nfs/dbraw/zinc/46/90/52/385469052.db2.gz SMENDWOFSZBUDO-UHFFFAOYSA-N 0 3 238.287 0.779 20 0 BCADHN CC[N@@H+](C)CCNC(=O)c1ccc(O)cc1[O-] ZINC000179496467 385469057 /nfs/dbraw/zinc/46/90/57/385469057.db2.gz SMENDWOFSZBUDO-UHFFFAOYSA-N 0 3 238.287 0.779 20 0 BCADHN CCC[C@H](C(=O)N[C@@H](C)c1nnc[n-]1)[NH+](C)C ZINC000179487465 385469224 /nfs/dbraw/zinc/46/92/24/385469224.db2.gz XQCUZHUEAXSBCW-DTWKUNHWSA-N 0 3 239.323 0.712 20 0 BCADHN CN(C)CC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000171178589 385472108 /nfs/dbraw/zinc/47/21/08/385472108.db2.gz PDWQHDFCNDRTHD-JTQLQIEISA-N 0 3 239.319 0.560 20 0 BCADHN CC(C(N)=O)S(=O)(=O)CC(C)(C)C ZINC000308163392 385473870 /nfs/dbraw/zinc/47/38/70/385473870.db2.gz WJTPHZXLIXEMFJ-LURJTMIESA-N 0 3 207.295 0.321 20 0 BCADHN CO[C@H]1COC[C@@H]1NCc1cccn1C ZINC000289806112 385473810 /nfs/dbraw/zinc/47/38/10/385473810.db2.gz MQEDVAHHPPVNLU-QWRGUYRKSA-N 0 3 210.277 0.529 20 0 BCADHN Cc1nn(C)c(NC(=O)[C@H]2NCC2(C)C)c1C ZINC000644099847 385474466 /nfs/dbraw/zinc/47/44/66/385474466.db2.gz KTECSMPTNGDBGJ-SECBINFHSA-N 0 3 236.319 0.973 20 0 BCADHN c1cn2c(n1)CC[C@@H](CNCc1cc[nH]n1)C2 ZINC000275702674 385475303 /nfs/dbraw/zinc/47/53/03/385475303.db2.gz XSLCJFZFCOEFPA-JTQLQIEISA-N 0 3 231.303 0.958 20 0 BCADHN Cc1cc(C)n(CCN(CCO)C[C@@H](C)O)n1 ZINC000289806437 385475661 /nfs/dbraw/zinc/47/56/61/385475661.db2.gz NGFGPSCIAKCGHL-GFCCVEGCSA-N 0 3 241.335 0.175 20 0 BCADHN COC[C@@H](NC(=O)[C@H]1NCC1(C)C)C1CC1 ZINC000644105231 385481094 /nfs/dbraw/zinc/48/10/94/385481094.db2.gz ALHAVIVKNPIHMC-NXEZZACHSA-N 0 3 226.320 0.526 20 0 BCADHN COC[C@H](NC(=O)[C@H]1NCC1(C)C)C1CC1 ZINC000644105233 385481445 /nfs/dbraw/zinc/48/14/45/385481445.db2.gz ALHAVIVKNPIHMC-VHSXEESVSA-N 0 3 226.320 0.526 20 0 BCADHN C[C@]1(NC(=O)[C@@H]2CNCCC2(F)F)CCOC1 ZINC000644105269 385481918 /nfs/dbraw/zinc/48/19/18/385481918.db2.gz FFOMFFUSSRZVMK-WPRPVWTQSA-N 0 3 248.273 0.526 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C(N)=O)C2)n1 ZINC000157102044 385485653 /nfs/dbraw/zinc/48/56/53/385485653.db2.gz RFCBOWRXYYSENH-VIFPVBQESA-N 0 3 235.287 0.403 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](C(N)=O)C2)n1 ZINC000157102044 385485658 /nfs/dbraw/zinc/48/56/58/385485658.db2.gz RFCBOWRXYYSENH-VIFPVBQESA-N 0 3 235.287 0.403 20 0 BCADHN COCc1ccc(CN2CC[C@@H](C(N)=O)C2)o1 ZINC000157082189 385485840 /nfs/dbraw/zinc/48/58/40/385485840.db2.gz CWZQDYZHSKOQTI-SECBINFHSA-N 0 3 238.287 0.733 20 0 BCADHN C[C@H](N)C(=O)NCc1cccnc1-n1cccn1 ZINC000195153437 385461712 /nfs/dbraw/zinc/46/17/12/385461712.db2.gz VYFJZMAHLFMPAO-VIFPVBQESA-N 0 3 245.286 0.231 20 0 BCADHN Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N)cc1 ZINC000195164791 385461795 /nfs/dbraw/zinc/46/17/95/385461795.db2.gz CXWIKPFFDURPQD-JTQLQIEISA-N 0 3 249.314 0.739 20 0 BCADHN CC[C@](C)(O)CN[C@@H](C)CS(=O)(=O)CC ZINC000121053474 385464015 /nfs/dbraw/zinc/46/40/15/385464015.db2.gz MOEIDGNAPCYICC-UWVGGRQHSA-N 0 3 237.365 0.560 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cscn2)C1 ZINC000644811839 385517351 /nfs/dbraw/zinc/51/73/51/385517351.db2.gz BDPHEMRSABAJFA-WPRPVWTQSA-N 0 3 237.328 0.919 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NCc1[nH]ncc1C ZINC000289433147 385492532 /nfs/dbraw/zinc/49/25/32/385492532.db2.gz DZFKNOBIQLWMOY-SECBINFHSA-N 0 3 224.308 0.675 20 0 BCADHN Cc1cn[nH]c1CN[C@@H](C)C(=O)N(C)C ZINC000289440225 385493923 /nfs/dbraw/zinc/49/39/23/385493923.db2.gz FVCBGQGLTHFDIN-QMMMGPOBSA-N 0 3 210.281 0.284 20 0 BCADHN CC(C)N(C)C(=O)CN1CC[C@@H](O)C1(C)C ZINC000309239741 385495630 /nfs/dbraw/zinc/49/56/30/385495630.db2.gz AHSOZWOYENPCJM-SNVBAGLBSA-N 0 3 228.336 0.698 20 0 BCADHN CC[C@H]1CN(CCC(=O)NC)C[C@H](C)O1 ZINC000111272477 385498895 /nfs/dbraw/zinc/49/88/95/385498895.db2.gz BRAQRKRWASCTFI-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H](CO)N[C@@H]1CCCc2nn(C)cc21 ZINC000336340177 385500018 /nfs/dbraw/zinc/50/00/18/385500018.db2.gz GZRNNDQOPJFTKO-PSASIEDQSA-N 0 3 209.293 0.768 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H]1CCCOCC1 ZINC000183056058 385503487 /nfs/dbraw/zinc/50/34/87/385503487.db2.gz FQXGEGDZIJXVCV-UWVGGRQHSA-N 0 3 214.309 0.799 20 0 BCADHN Cc1c[nH]nc1CNCCCOCCO ZINC000289447231 385503736 /nfs/dbraw/zinc/50/37/36/385503736.db2.gz GQMQQPADTZSUHD-UHFFFAOYSA-N 0 3 213.281 0.207 20 0 BCADHN CCOC[C@@H](C)NCC1(S(C)(=O)=O)CCC1 ZINC000336775898 385506678 /nfs/dbraw/zinc/50/66/78/385506678.db2.gz DBHIPJBGXHEBED-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN CN(C)CCSCC(=O)NC[C@@H]1CCCO1 ZINC000106424060 385507730 /nfs/dbraw/zinc/50/77/30/385507730.db2.gz QPWHIVJEDALTEL-JTQLQIEISA-N 0 3 246.376 0.576 20 0 BCADHN COCC[C@H](CO)NCc1cccnc1C ZINC000309279289 385509202 /nfs/dbraw/zinc/50/92/02/385509202.db2.gz UAAYUQNBEHYESM-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN CO[C@H]1C[C@@H](C(N)=O)N(C[C@@H]2C[C@H]2C)C1 ZINC000408032899 385515317 /nfs/dbraw/zinc/51/53/17/385515317.db2.gz DMNPBFGZVAXHFA-KATARQTJSA-N 0 3 212.293 0.217 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N1CCN(C)CC1 ZINC000257706926 385490066 /nfs/dbraw/zinc/49/00/66/385490066.db2.gz QGKKFELOMALKMF-LLVKDONJSA-N 0 3 227.352 0.524 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H](N)CC(F)F)CCO1 ZINC000309316804 385529715 /nfs/dbraw/zinc/52/97/15/385529715.db2.gz PKEQAZSCVBKOOV-YUMQZZPRSA-N 0 3 236.262 0.606 20 0 BCADHN CC[C@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)O1 ZINC000644143646 385531123 /nfs/dbraw/zinc/53/11/23/385531123.db2.gz YYVNPJJBCJJMCS-NAKRPEOUSA-N 0 3 244.310 0.760 20 0 BCADHN CC(C)(C)[C@@H](O)CN[C@@H](C(N)=O)C(C)(C)C ZINC000309324300 385531582 /nfs/dbraw/zinc/53/15/82/385531582.db2.gz GAIRDLOVPHXHTL-IUCAKERBSA-N 0 3 230.352 0.883 20 0 BCADHN Cc1nn(C)c(C)c1CCNC(=O)C(C)(C)N ZINC000082257204 385548538 /nfs/dbraw/zinc/54/85/38/385548538.db2.gz NKEMXSUGKZOQEF-UHFFFAOYSA-N 0 3 238.335 0.433 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@H](N)CC(F)F ZINC000309318937 385532717 /nfs/dbraw/zinc/53/27/17/385532717.db2.gz PVEMIMDAUWYVQG-NTSWFWBYSA-N 0 3 238.234 0.037 20 0 BCADHN Cn1cccc1CN1CC[C@H](CC(N)=O)C1 ZINC000367707464 385541712 /nfs/dbraw/zinc/54/17/12/385541712.db2.gz OQSKYKPUCLZMPV-SNVBAGLBSA-N 0 3 221.304 0.722 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccncc3)[C@@H]2C1 ZINC000644813422 385541734 /nfs/dbraw/zinc/54/17/34/385541734.db2.gz GQEDJWUSCXTSRT-VXGBXAGGSA-N 0 3 231.299 0.858 20 0 BCADHN CCN(CC)CC(=O)N1CCN2CCC1CC2 ZINC000364931557 385541853 /nfs/dbraw/zinc/54/18/53/385541853.db2.gz HWPQHJOWALKWHA-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN COCC[C@@](C)(O)CNCc1cccnc1 ZINC000172069188 385546836 /nfs/dbraw/zinc/54/68/36/385546836.db2.gz FMBPMALXCGTTAP-GFCCVEGCSA-N 0 3 224.304 0.959 20 0 BCADHN CN1CC[C@H](N2CCC[C@@](C)(O)C2)C1=O ZINC000228215612 385547613 /nfs/dbraw/zinc/54/76/13/385547613.db2.gz OOTWYHVVOMAPCU-GXSJLCMTSA-N 0 3 212.293 0.064 20 0 BCADHN C[C@H](C(=O)N1CC[C@H]2CN(C)C[C@@H]21)n1cncn1 ZINC000644811757 385518589 /nfs/dbraw/zinc/51/85/89/385518589.db2.gz CAMGCCHISSRRDC-VWYCJHECSA-N 0 3 249.318 0.002 20 0 BCADHN CN(CCO)Cc1cn(C)nc1-c1cccnc1 ZINC000157733783 385520048 /nfs/dbraw/zinc/52/00/48/385520048.db2.gz ZPNLGXGZXLZECE-UHFFFAOYSA-N 0 3 246.314 0.906 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644811936 385520506 /nfs/dbraw/zinc/52/05/06/385520506.db2.gz BKXOETCMYMKUHD-WRWGMCAJSA-N 0 3 238.331 0.574 20 0 BCADHN CC[C@@H](O)CC(=O)N(C)CCN1CCCC1 ZINC000448904781 385520730 /nfs/dbraw/zinc/52/07/30/385520730.db2.gz UNXZPOMURSYMQT-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN CCN(C)C(=O)CN[C@@H](COC)C1CC1 ZINC000183479724 385548304 /nfs/dbraw/zinc/54/83/04/385548304.db2.gz ZHWFSLUIFGDFLR-JTQLQIEISA-N 0 3 214.309 0.479 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)nn1C ZINC000644142695 385526535 /nfs/dbraw/zinc/52/65/35/385526535.db2.gz BIYCLTIUMKYSLA-IUCAKERBSA-N 0 3 240.282 0.158 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)[C@]12C[C@H]1CCC2 ZINC000644142410 385526573 /nfs/dbraw/zinc/52/65/73/385526573.db2.gz RZIBQGGBVFCLGY-FYLLDIAZSA-N 0 3 226.295 0.993 20 0 BCADHN C[C@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CCCOC1 ZINC000644142829 385526819 /nfs/dbraw/zinc/52/68/19/385526819.db2.gz JRBQZPLMAPMBOY-NHCYSSNCSA-N 0 3 244.310 0.619 20 0 BCADHN C[C@H](C[S@](C)=O)NC(=O)[C@@H]1CCN(C)[C@@H]1C ZINC000592787296 385577535 /nfs/dbraw/zinc/57/75/35/385577535.db2.gz LMJFFUWAMYVDLP-IOOBAMJDSA-N 0 3 246.376 0.210 20 0 BCADHN O=C1CO[C@H]2CCN(CCCCCF)C[C@H]2N1 ZINC000368501623 385576073 /nfs/dbraw/zinc/57/60/73/385576073.db2.gz BXUHUADCHDYHDL-MNOVXSKESA-N 0 3 244.310 0.716 20 0 BCADHN CN(CCc1cnccn1)C(=O)[C@H]1NCC1(C)C ZINC000644152495 385551124 /nfs/dbraw/zinc/55/11/24/385551124.db2.gz SDMNLNWHIFBQEJ-LLVKDONJSA-N 0 3 248.330 0.476 20 0 BCADHN CCOC[C@@H](O)CNCc1cncc(F)c1 ZINC000309374302 385555846 /nfs/dbraw/zinc/55/58/46/385555846.db2.gz FQKTWLYMEGHVGC-NSHDSACASA-N 0 3 228.267 0.708 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F ZINC000309390832 385558507 /nfs/dbraw/zinc/55/85/07/385558507.db2.gz FVCQOKQDVSNNRI-AXMZGBSTSA-N 0 3 222.210 0.743 20 0 BCADHN CC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000107260965 385559675 /nfs/dbraw/zinc/55/96/75/385559675.db2.gz IWJIRWLUQOOZBC-UHFFFAOYSA-N 0 3 221.304 0.992 20 0 BCADHN C[C@H](CCCO)NC(=O)C(N)C(F)(F)F ZINC000309392962 385562463 /nfs/dbraw/zinc/56/24/63/385562463.db2.gz GDSRSLPEDPGCFQ-RITPCOANSA-N 0 3 228.214 0.153 20 0 BCADHN COC[C@H](O)CN[C@H](COC)c1ccccc1 ZINC000181686381 385593616 /nfs/dbraw/zinc/59/36/16/385593616.db2.gz MMFBSFPFFWBAOI-CHWSQXEVSA-N 0 3 239.315 0.971 20 0 BCADHN CN[C@@H](C)C(=O)N(C)C[C@@H]1CCCCO1 ZINC000054076559 385594109 /nfs/dbraw/zinc/59/41/09/385594109.db2.gz HIPHAAPAXJLXOL-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCSC1)c1cnccn1 ZINC000309467126 385595427 /nfs/dbraw/zinc/59/54/27/385595427.db2.gz QDXVMCOIPUDJLR-KOLCDFICSA-N 0 3 239.344 0.995 20 0 BCADHN CCC[C@H](NC(C)C)C(=O)N[C@@H](C)C(N)=O ZINC000309467868 385597232 /nfs/dbraw/zinc/59/72/32/385597232.db2.gz PYQXGSWDFWKMNC-IUCAKERBSA-N 0 3 229.324 0.143 20 0 BCADHN CCC[C@H](CC)NC(=O)COC1CNC1 ZINC000336676214 385599466 /nfs/dbraw/zinc/59/94/66/385599466.db2.gz LJSPOSSNBVMMSB-VIFPVBQESA-N 0 3 214.309 0.670 20 0 BCADHN CCN1C[C@H](N[C@@H](COC)C2CC2)CC1=O ZINC000391512978 385600070 /nfs/dbraw/zinc/60/00/70/385600070.db2.gz OZIRLEAZLNOILG-MNOVXSKESA-N 0 3 226.320 0.622 20 0 BCADHN CN(C[C@H]1CCCO1)C(=O)[C@H](N)CC(F)F ZINC000336676860 385606552 /nfs/dbraw/zinc/60/65/52/385606552.db2.gz VSAZJXSPFJNPRV-HTQZYQBOSA-N 0 3 236.262 0.606 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2ccc(F)cn2)C1 ZINC000280772382 385602025 /nfs/dbraw/zinc/60/20/25/385602025.db2.gz PGXGVQNCAJNGPC-GFCCVEGCSA-N 0 3 237.278 0.918 20 0 BCADHN Cc1cc(C(=O)NC[C@H]2CCN(C)C2)nc(C)n1 ZINC000408196937 385603480 /nfs/dbraw/zinc/60/34/80/385603480.db2.gz GEAJFGUJYUBBSH-LLVKDONJSA-N 0 3 248.330 0.775 20 0 BCADHN CCC[C@H](C)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000337314974 385604381 /nfs/dbraw/zinc/60/43/81/385604381.db2.gz IUCDGVQLXCOPBA-VHSXEESVSA-N 0 3 234.365 0.928 20 0 BCADHN Cc1nc(CN2CCC[C@H]2C[C@@H](C)O)n[nH]1 ZINC000309430540 385579833 /nfs/dbraw/zinc/57/98/33/385579833.db2.gz ZDJDGAUCIIHUJL-SCZZXKLOSA-N 0 3 224.308 0.848 20 0 BCADHN CS(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107708682 385581998 /nfs/dbraw/zinc/58/19/98/385581998.db2.gz DRQYSJGGSXYPKC-LLVKDONJSA-N 0 3 246.376 0.896 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)/C=C/c1ncc[nH]1 ZINC000493545056 385582376 /nfs/dbraw/zinc/58/23/76/385582376.db2.gz CNQDZGHCZGXWAT-MVIFTORASA-N 0 3 248.330 0.976 20 0 BCADHN CN(CC(=O)N1CCCC1)C[C@@H]1CCCOC1 ZINC000107800339 385585524 /nfs/dbraw/zinc/58/55/24/385585524.db2.gz SGKUEXYNORKYJB-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN COCC[C@H](C)NC(=O)C(N)C(F)(F)F ZINC000309456602 385588998 /nfs/dbraw/zinc/58/89/98/385588998.db2.gz NVAFWXRFUILMDV-NTSWFWBYSA-N 0 3 228.214 0.417 20 0 BCADHN C[C@@H](CO)N(C)CCN1CCO[C@H](C)C1 ZINC000337309729 385592435 /nfs/dbraw/zinc/59/24/35/385592435.db2.gz ZJZYZFJCPBSKSE-WDEREUQCSA-N 0 3 216.325 0.020 20 0 BCADHN CCS(=O)(=O)NCC1(N(C)C)CCCC1 ZINC000064944955 385614699 /nfs/dbraw/zinc/61/46/99/385614699.db2.gz CIAOUNVALXRHMM-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cnns2)CCN1C ZINC000408180267 385617747 /nfs/dbraw/zinc/61/77/47/385617747.db2.gz ORTINPUWFHQEBP-JGVFFNPUSA-N 0 3 240.332 0.751 20 0 BCADHN CCOCCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644821069 385621364 /nfs/dbraw/zinc/62/13/64/385621364.db2.gz GSINDNIVTWSUKO-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CC[C@H]1C ZINC000308143433 385636566 /nfs/dbraw/zinc/63/65/66/385636566.db2.gz MNEGQKLMIHQENJ-HLTSFMKQSA-N 0 3 205.323 0.808 20 0 BCADHN C[C@@H](NCC1([S@](C)=O)CC1)c1ccnn1C ZINC000336679261 385622233 /nfs/dbraw/zinc/62/22/33/385622233.db2.gz AHLLEXJULZMADK-ABKXIKBNSA-N 0 3 241.360 0.982 20 0 BCADHN CO[C@H](C)C(=O)N1CCCC[C@H]1CN(C)C ZINC000066946445 385625408 /nfs/dbraw/zinc/62/54/08/385625408.db2.gz HDNMKQTTYGMWGK-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@@H](O)CNC(=O)N[C@H]1CCCN(CC)C1 ZINC000645201283 385625800 /nfs/dbraw/zinc/62/58/00/385625800.db2.gz AMHIENFPNIGVIF-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN CSCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000334768208 385631730 /nfs/dbraw/zinc/63/17/30/385631730.db2.gz GMNSCCOLWWXMDI-DTWKUNHWSA-N 0 3 214.334 0.512 20 0 BCADHN C[C@H](NCCNC(=O)c1ccn[nH]1)c1cn[nH]c1 ZINC000281077348 385632457 /nfs/dbraw/zinc/63/24/57/385632457.db2.gz UEOLGBRZOSIUAK-QMMMGPOBSA-N 0 3 248.290 0.213 20 0 BCADHN COC(=O)[C@](C)(O)CN1[C@H](C)CC(O)C[C@H]1C ZINC000408184708 385637060 /nfs/dbraw/zinc/63/70/60/385637060.db2.gz ZHKGLBBLWGIFOA-KBVBSXBZSA-N 0 3 245.319 0.144 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccc[nH]3)[C@H]2C1 ZINC000644821583 385637206 /nfs/dbraw/zinc/63/72/06/385637206.db2.gz GTCPHSCUPISEGA-KOLCDFICSA-N 0 3 219.288 0.791 20 0 BCADHN CCC[C@H](C(=O)NCc1nccn1C)N(C)C ZINC000269804626 385635877 /nfs/dbraw/zinc/63/58/77/385635877.db2.gz ADNRTNNGMQNIHF-SNVBAGLBSA-N 0 3 238.335 0.767 20 0 BCADHN CCS(=O)(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000334692770 385607747 /nfs/dbraw/zinc/60/77/47/385607747.db2.gz CLCILNMNBUSQBX-SNVBAGLBSA-N 0 3 234.365 0.751 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2ncn(C)n2)CCN1C ZINC000354648952 385609486 /nfs/dbraw/zinc/60/94/86/385609486.db2.gz ZNXWVGLQCAXDSJ-RKDXNWHRSA-N 0 3 237.307 0.028 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)[nH]n1 ZINC000594642973 385611320 /nfs/dbraw/zinc/61/13/20/385611320.db2.gz SLZCRLVDVTUPLD-LLVKDONJSA-N 0 3 248.330 0.932 20 0 BCADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C1CC(=O)C1 ZINC000137223622 385611900 /nfs/dbraw/zinc/61/19/00/385611900.db2.gz HQXAOZMYLVTVJS-CABZTGNLSA-N 0 3 238.331 0.764 20 0 BCADHN Cc1cnc(CNC[C@H]2CCCN2C)n1C ZINC000309501729 385638367 /nfs/dbraw/zinc/63/83/67/385638367.db2.gz ZZORHZPZZRXZIS-LLVKDONJSA-N 0 3 222.336 0.912 20 0 BCADHN C[C@H](O)CN1CCC(c2cnn(C)c2)CC1 ZINC000281140582 385638982 /nfs/dbraw/zinc/63/89/82/385638982.db2.gz AROZPPQTXADTNZ-JTQLQIEISA-N 0 3 223.320 0.980 20 0 BCADHN COCC[C@H](CO)N[C@@H](C)c1ccnn1C ZINC000281149011 385639763 /nfs/dbraw/zinc/63/97/63/385639763.db2.gz AURMURNNGSEWKU-VHSXEESVSA-N 0 3 227.308 0.468 20 0 BCADHN C[C@H](CO)N1CCCN(Cc2ccon2)CC1 ZINC000368964970 385640932 /nfs/dbraw/zinc/64/09/32/385640932.db2.gz IIKQKVSMLGJWFH-LLVKDONJSA-N 0 3 239.319 0.563 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)nn1C ZINC000644822002 385641985 /nfs/dbraw/zinc/64/19/85/385641985.db2.gz IJFFOCSPCLUTRN-CMPLNLGQSA-N 0 3 248.330 0.505 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3CCOCC3)[C@H]2C1 ZINC000644822449 385645219 /nfs/dbraw/zinc/64/52/19/385645219.db2.gz SZVZSFWPEIHOMG-NEPJUHHUSA-N 0 3 238.331 0.576 20 0 BCADHN CC[C@H](O)CCCNC(=O)CN(CC)CC ZINC000337413691 385645388 /nfs/dbraw/zinc/64/53/88/385645388.db2.gz RYEKOKAGMJCONR-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN COC(=O)C(C)(C)CNCc1cncn1C ZINC000182229886 385647113 /nfs/dbraw/zinc/64/71/13/385647113.db2.gz VCHCXWIEWIDYGD-UHFFFAOYSA-N 0 3 225.292 0.709 20 0 BCADHN CC[C@]1(O)CCN(CCN2CCO[C@@H](C)C2)C1 ZINC000337402946 385647906 /nfs/dbraw/zinc/64/79/06/385647906.db2.gz HYDWRKAIMVTNFZ-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C[C@@H]2CCCO2)C1 ZINC000644823319 385648876 /nfs/dbraw/zinc/64/88/76/385648876.db2.gz NNIIFYPWUVVCAD-SRVKXCTJSA-N 0 3 238.331 0.718 20 0 BCADHN Cn1ccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000281281225 385652144 /nfs/dbraw/zinc/65/21/44/385652144.db2.gz OJJNFMBTPKBETC-NEPJUHHUSA-N 0 3 249.314 0.955 20 0 BCADHN Cc1[nH]ccc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000269959347 385653023 /nfs/dbraw/zinc/65/30/23/385653023.db2.gz XMTAWKFUJCIHML-GFCCVEGCSA-N 0 3 239.319 0.366 20 0 BCADHN C[C@H](O)CN1CCN(C[C@@H]2CCOC2)[C@@H](C)C1 ZINC000337424577 385655157 /nfs/dbraw/zinc/65/51/57/385655157.db2.gz RNGOXPSYFVURKC-AVGNSLFASA-N 0 3 242.363 0.410 20 0 BCADHN C[C@H](O)CN1CCN(C[C@H]2CCOC2)[C@H](C)C1 ZINC000337424578 385655614 /nfs/dbraw/zinc/65/56/14/385655614.db2.gz RNGOXPSYFVURKC-FRRDWIJNSA-N 0 3 242.363 0.410 20 0 BCADHN C[C@H](Cn1cccn1)NCc1c[nH]cn1 ZINC000054764948 385655908 /nfs/dbraw/zinc/65/59/08/385655908.db2.gz ZOVMFRVWTJVVTE-SECBINFHSA-N 0 3 205.265 0.785 20 0 BCADHN C[C@H](Cn1cccn1)NCc1cnc[nH]1 ZINC000054764948 385655914 /nfs/dbraw/zinc/65/59/14/385655914.db2.gz ZOVMFRVWTJVVTE-SECBINFHSA-N 0 3 205.265 0.785 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Cc3ccoc3)[C@H]2C1 ZINC000644818461 385656419 /nfs/dbraw/zinc/65/64/19/385656419.db2.gz NKTVQWPFZOSIQS-NEPJUHHUSA-N 0 3 234.299 0.985 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@H](CO)c1cnn(C)c1 ZINC000252732640 385656703 /nfs/dbraw/zinc/65/67/03/385656703.db2.gz WDDBYZNLLVOQLI-FXPVBKGRSA-N 0 3 227.308 0.467 20 0 BCADHN CCN(C)CCNC(=O)CCCOC ZINC000066949184 385656859 /nfs/dbraw/zinc/65/68/59/385656859.db2.gz ZYKGMTBJDRKJTB-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN CC(C)C(=O)NCCN(C)CCC[C@@H](C)O ZINC000354740513 385657564 /nfs/dbraw/zinc/65/75/64/385657564.db2.gz WFOOIFPNXMBXGD-LLVKDONJSA-N 0 3 230.352 0.851 20 0 BCADHN COc1cncc(CNC[C@@](C)(O)CO)c1C ZINC000631126503 385659233 /nfs/dbraw/zinc/65/92/33/385659233.db2.gz SGMNFEKSDNTJAM-GFCCVEGCSA-N 0 3 240.303 0.232 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C(C)(C)N)[C@@H](C)O1 ZINC000307289117 385661546 /nfs/dbraw/zinc/66/15/46/385661546.db2.gz XZECYGXZJFFAFO-PRJMDXOYSA-N 0 3 200.282 0.406 20 0 BCADHN COC(C)(C)CCN(C)C(C)(C)C(N)=O ZINC000451135565 385661681 /nfs/dbraw/zinc/66/16/81/385661681.db2.gz MPATWDSJJQEYOJ-UHFFFAOYSA-N 0 3 216.325 0.997 20 0 BCADHN Cc1ccc(CNC[C@@]2(O)CCN(C)C2)o1 ZINC000309522898 385661813 /nfs/dbraw/zinc/66/18/13/385661813.db2.gz CHFJUFBVKPGQMN-LBPRGKRZSA-N 0 3 224.304 0.744 20 0 BCADHN CCN(CC)CC(=O)N1CC(OCCOC)C1 ZINC000337435299 385662064 /nfs/dbraw/zinc/66/20/64/385662064.db2.gz CEPCYJJYSZRZQU-UHFFFAOYSA-N 0 3 244.335 0.202 20 0 BCADHN COC(=O)C[C@@]1(NC[C@H](C)OC)CCOC1 ZINC000309528419 385663993 /nfs/dbraw/zinc/66/39/93/385663993.db2.gz CYSXKWCWRZZLRD-ONGXEEELSA-N 0 3 231.292 0.333 20 0 BCADHN CCN(CC)CC(=O)N[C@](C)(CCO)COC ZINC000337486506 385675132 /nfs/dbraw/zinc/67/51/32/385675132.db2.gz ZQPYFRWYFJGVKA-GFCCVEGCSA-N 0 3 246.351 0.232 20 0 BCADHN CC(=O)CCC(=O)NC[C@H](C1CC1)N(C)C ZINC000337468951 385676732 /nfs/dbraw/zinc/67/67/32/385676732.db2.gz VDNJBSISGQHXGG-LLVKDONJSA-N 0 3 226.320 0.812 20 0 BCADHN CN(C)c1ccncc1CNCCN1CCC1 ZINC000353171327 385678597 /nfs/dbraw/zinc/67/85/97/385678597.db2.gz RENPJUUPCLCHJJ-UHFFFAOYSA-N 0 3 234.347 0.943 20 0 BCADHN Cn1cc(CNCCc2cnccn2)cn1 ZINC000309543955 385679444 /nfs/dbraw/zinc/67/94/44/385679444.db2.gz ZBOCOJDCQQGCOG-UHFFFAOYSA-N 0 3 217.276 0.542 20 0 BCADHN C[C@@H](NCC1([S@@](C)=O)CC1)c1cnn(C)c1 ZINC000309543193 385679558 /nfs/dbraw/zinc/67/95/58/385679558.db2.gz GGCQNPHVZOKAEY-JDNHERCYSA-N 0 3 241.360 0.982 20 0 BCADHN CN(CCOCCO)CCOCC(F)F ZINC000337477794 385679609 /nfs/dbraw/zinc/67/96/09/385679609.db2.gz ZFJKKZXRQGDOMY-UHFFFAOYSA-N 0 3 227.251 0.209 20 0 BCADHN CO[C@]1(C)C[C@H](N[C@H]2CCNC2=O)C1(C)C ZINC000309549255 385680899 /nfs/dbraw/zinc/68/08/99/385680899.db2.gz HPVGMDCEXWOHQF-HOTUBEGUSA-N 0 3 226.320 0.668 20 0 BCADHN CC(=O)[C@](C)(O)CN1CC[C@H](C)[C@@H](O)C1 ZINC000408455481 385681169 /nfs/dbraw/zinc/68/11/69/385681169.db2.gz DIBSXKAYFJDFHG-INTQDDNPSA-N 0 3 215.293 0.029 20 0 BCADHN CSCCN(C)[C@]1(CO)CCOC1 ZINC000336653491 385682010 /nfs/dbraw/zinc/68/20/10/385682010.db2.gz MFAYBHOYBYQDFC-VIFPVBQESA-N 0 3 205.323 0.433 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC000337494442 385685268 /nfs/dbraw/zinc/68/52/68/385685268.db2.gz HQWUJLMIBIIMAT-GARJFASQSA-N 0 3 228.336 0.868 20 0 BCADHN CCN(CC)CC(=O)NCCN1CCC1 ZINC000337510246 385691212 /nfs/dbraw/zinc/69/12/12/385691212.db2.gz DUVNZZZLMJWTLF-UHFFFAOYSA-N 0 3 213.325 0.150 20 0 BCADHN COC[C@H](C)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000309561125 385692160 /nfs/dbraw/zinc/69/21/60/385692160.db2.gz LCBDFWRGSKBANV-YTWAJWBKSA-N 0 3 226.320 0.620 20 0 BCADHN COC[C@H](C)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000309561124 385692306 /nfs/dbraw/zinc/69/23/06/385692306.db2.gz LCBDFWRGSKBANV-UKKRHICBSA-N 0 3 226.320 0.620 20 0 BCADHN CCN(CC)CC(=O)N1CC(OC(F)F)C1 ZINC000337593855 385718907 /nfs/dbraw/zinc/71/89/07/385718907.db2.gz JFZDODCDBSIGCT-UHFFFAOYSA-N 0 3 236.262 0.778 20 0 BCADHN CC[C@H](O)CNCc1ccc(C(N)=O)cc1 ZINC000229970767 385695017 /nfs/dbraw/zinc/69/50/17/385695017.db2.gz YJUYJRXYYBASOX-NSHDSACASA-N 0 3 222.288 0.646 20 0 BCADHN COCCOCCCNC(=O)[C@H]1NCC1(C)C ZINC000647914064 385696141 /nfs/dbraw/zinc/69/61/41/385696141.db2.gz IIXOURYHZJAGEY-SNVBAGLBSA-N 0 3 244.335 0.154 20 0 BCADHN Nc1cc(CN(CCO)CC2CC2)ccn1 ZINC000309561923 385698956 /nfs/dbraw/zinc/69/89/56/385698956.db2.gz PCCXTDZQGBIEOE-UHFFFAOYSA-N 0 3 221.304 0.868 20 0 BCADHN Cc1cc(CN(C)C)cc(NC(=O)CC(N)=O)c1 ZINC000270410645 385705362 /nfs/dbraw/zinc/70/53/62/385705362.db2.gz ZSWDTOHSLYSZFP-UHFFFAOYSA-N 0 3 249.314 0.871 20 0 BCADHN CCN(CC)CC(=O)N(CCO)CCCOC ZINC000337571279 385707909 /nfs/dbraw/zinc/70/79/09/385707909.db2.gz ANSVWFPHKMDEAT-UHFFFAOYSA-N 0 3 246.351 0.186 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000337573382 385709017 /nfs/dbraw/zinc/70/90/17/385709017.db2.gz UPOQCWCUPABZMT-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1cccc(CO)c1 ZINC000270483950 385712365 /nfs/dbraw/zinc/71/23/65/385712365.db2.gz LGATZISBWMFSAI-GWCFXTLKSA-N 0 3 239.315 0.837 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)c1cn[nH]c1)N(C)C ZINC000270555908 385716189 /nfs/dbraw/zinc/71/61/89/385716189.db2.gz ZRNNJWODXKKCEL-SCZZXKLOSA-N 0 3 224.308 0.927 20 0 BCADHN Cc1nnsc1CNC[C@]1(O)CCSC1 ZINC000647911847 385666861 /nfs/dbraw/zinc/66/68/61/385666861.db2.gz MBZXCNKPNXNQLG-SECBINFHSA-N 0 3 245.373 0.804 20 0 BCADHN CC[C@]1(CO)CCCN1Cc1cnnn1C ZINC000408208606 385667021 /nfs/dbraw/zinc/66/70/21/385667021.db2.gz OGQBASUBGFOKDS-LLVKDONJSA-N 0 3 224.308 0.552 20 0 BCADHN CS(=O)(=O)[C@@H]1CCN(CC2CCOCC2)C1 ZINC000337457292 385668910 /nfs/dbraw/zinc/66/89/10/385668910.db2.gz NORFDJBCTJAULX-LLVKDONJSA-N 0 3 247.360 0.532 20 0 BCADHN COCCCN(C)[C@@H](C)C[S@](C)=O ZINC000185111506 385718725 /nfs/dbraw/zinc/71/87/25/385718725.db2.gz ROIUOMGPBRMESL-ZANVPECISA-N 0 3 207.339 0.722 20 0 BCADHN CCN(CC)CC(=O)N1CCN(C)CC1(C)C ZINC000337456143 385670087 /nfs/dbraw/zinc/67/00/87/385670087.db2.gz JXKIYGFOMUELOY-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CCN(CC)CC(=O)N(CC)CCOCCO ZINC000337613022 385727774 /nfs/dbraw/zinc/72/77/74/385727774.db2.gz ZSBBLTHUGYHFKI-UHFFFAOYSA-N 0 3 246.351 0.186 20 0 BCADHN CCc1ncnc(N2CCNCC2)c1F ZINC000108381217 385729375 /nfs/dbraw/zinc/72/93/75/385729375.db2.gz ZKHDQOVIFSLVAB-UHFFFAOYSA-N 0 3 210.256 0.588 20 0 BCADHN Cc1cn[nH]c1CN[C@H]1C(=O)NCC[C@@H]1C ZINC000289924864 385730948 /nfs/dbraw/zinc/73/09/48/385730948.db2.gz SPCBHIHFIHYEPG-OIBJUYFYSA-N 0 3 222.292 0.332 20 0 BCADHN CC(C)[C@H]1C[C@H](NC2(C(N)=O)CC2)CCO1 ZINC000336691992 385731231 /nfs/dbraw/zinc/73/12/31/385731231.db2.gz XCPSLBIUKCUPLK-NXEZZACHSA-N 0 3 226.320 0.798 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000335508543 385737522 /nfs/dbraw/zinc/73/75/22/385737522.db2.gz QBPYTAJDISQHGM-SNVBAGLBSA-N 0 3 226.320 0.310 20 0 BCADHN CN(C)CCNC(=O)N(C)C1CCOCC1 ZINC000337792056 385786139 /nfs/dbraw/zinc/78/61/39/385786139.db2.gz DKXFTSGSSCLDSA-UHFFFAOYSA-N 0 3 229.324 0.368 20 0 BCADHN CS[C@H](CO)[C@H](C)NC(=O)/C=C/CN(C)C ZINC000270768635 385741705 /nfs/dbraw/zinc/74/17/05/385741705.db2.gz SSEUUCAQGIQESH-FQNVXPIYSA-N 0 3 246.376 0.333 20 0 BCADHN Cc1ccc(CN(CCN(C)C)C(=O)CO)o1 ZINC000270767517 385741719 /nfs/dbraw/zinc/74/17/19/385741719.db2.gz GYDJAPIMKSLPLJ-UHFFFAOYSA-N 0 3 240.303 0.471 20 0 BCADHN CN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185883904 385742936 /nfs/dbraw/zinc/74/29/36/385742936.db2.gz WDHYMIBMBDRVQH-VIFPVBQESA-N 0 3 212.680 0.956 20 0 BCADHN CC(C)c1nnc(C(=O)NCCN(C)C)s1 ZINC000282231917 385743793 /nfs/dbraw/zinc/74/37/93/385743793.db2.gz DRZYXVSEQYYSTQ-UHFFFAOYSA-N 0 3 242.348 0.953 20 0 BCADHN CCCCN(C)CCNC(=O)NC[C@H](O)CC ZINC000645285982 385745199 /nfs/dbraw/zinc/74/51/99/385745199.db2.gz XXLGJYSGAFEGQH-LLVKDONJSA-N 0 3 245.367 0.788 20 0 BCADHN COCC[C@H]1COCCN1C[C@@H](O)C(C)C ZINC000366613523 385751451 /nfs/dbraw/zinc/75/14/51/385751451.db2.gz AMMCVCSDJUYZFD-NWDGAFQWSA-N 0 3 231.336 0.741 20 0 BCADHN Cn1nccc1CNC(C)(C)CC(N)=O ZINC000186247214 385751491 /nfs/dbraw/zinc/75/14/91/385751491.db2.gz KWDMAXTXXUXMDY-UHFFFAOYSA-N 0 3 210.281 0.164 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCOC1)N1CCCC1 ZINC000521409294 385751557 /nfs/dbraw/zinc/75/15/57/385751557.db2.gz IXGVEYJYWONDPO-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN COC[C@H](O)CN[C@H](CO)c1ccsc1 ZINC000336656627 385786636 /nfs/dbraw/zinc/78/66/36/385786636.db2.gz AKSZOIGQIDIDJR-NXEZZACHSA-N 0 3 231.317 0.378 20 0 BCADHN COC[C@H](C)NCc1cnc(N(C)C)nc1 ZINC000309628572 385756370 /nfs/dbraw/zinc/75/63/70/385756370.db2.gz HDPLPMYRAVUQSN-VIFPVBQESA-N 0 3 224.308 0.667 20 0 BCADHN CCc1nc(CN2CC[C@@H](CO)[C@H]2CC)n[nH]1 ZINC000451257925 385757752 /nfs/dbraw/zinc/75/77/52/385757752.db2.gz QOODPFLZBGFGSE-VHSXEESVSA-N 0 3 238.335 0.960 20 0 BCADHN CN(C[C@H](O)CN1CCOC(C)(C)C1)C1CC1 ZINC000336705358 385786895 /nfs/dbraw/zinc/78/68/95/385786895.db2.gz KZNBASUQTNWYCE-LBPRGKRZSA-N 0 3 242.363 0.552 20 0 BCADHN CS[C@@H]1CN(c2ncccn2)C[C@@H]1N(C)C ZINC000270923922 385760595 /nfs/dbraw/zinc/76/05/95/385760595.db2.gz BHKGNUBOTMIBOK-VHSXEESVSA-N 0 3 238.360 0.958 20 0 BCADHN Cn1nccc1CCN1CCC(CO)CC1 ZINC000230886486 385762968 /nfs/dbraw/zinc/76/29/68/385762968.db2.gz SLFNIDPLQFZNQQ-UHFFFAOYSA-N 0 3 223.320 0.667 20 0 BCADHN Cn1nccc1CCN1CCC[C@](C)(O)C1 ZINC000230887116 385763113 /nfs/dbraw/zinc/76/31/13/385763113.db2.gz VHPCUHVOBROVEB-LBPRGKRZSA-N 0 3 223.320 0.809 20 0 BCADHN CCN(C)C(=O)CNCC(C)(C)COC ZINC000336701432 385767656 /nfs/dbraw/zinc/76/76/56/385767656.db2.gz PVKKUMADJAYIGR-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN COC[C@](C)(CCO)NCc1cncn1C ZINC000309652684 385770200 /nfs/dbraw/zinc/77/02/00/385770200.db2.gz ORXKQVDNKJMUDW-NSHDSACASA-N 0 3 227.308 0.297 20 0 BCADHN CCOC(=O)C[C@](C)(NCC(N)=O)C(C)C ZINC000186669522 385778028 /nfs/dbraw/zinc/77/80/28/385778028.db2.gz MTQDVCCAPCCIJZ-NSHDSACASA-N 0 3 230.308 0.429 20 0 BCADHN CCOc1ccc(CNC[C@H](O)CO)cc1F ZINC000259138019 385780888 /nfs/dbraw/zinc/78/08/88/385780888.db2.gz UNNHHKYEXFZNKE-JTQLQIEISA-N 0 3 243.278 0.667 20 0 BCADHN COC[C@H](O)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000271062889 385781279 /nfs/dbraw/zinc/78/12/79/385781279.db2.gz ADFPRTZYZGSAFU-GHMZBOCLSA-N 0 3 239.319 0.596 20 0 BCADHN CCOc1ccc(CNC[C@@H](O)CO)cc1F ZINC000259138021 385782578 /nfs/dbraw/zinc/78/25/78/385782578.db2.gz UNNHHKYEXFZNKE-SNVBAGLBSA-N 0 3 243.278 0.667 20 0 BCADHN CC[C@@H](N)C(=O)N[C@](C)(CC)C(=O)OC ZINC000336740030 385782500 /nfs/dbraw/zinc/78/25/00/385782500.db2.gz LWWYJYGWURQDCP-GMSGAONNSA-N 0 3 216.281 0.182 20 0 BCADHN COC[C@H](O)CNC/C=C\c1ccncc1 ZINC000309670681 385784900 /nfs/dbraw/zinc/78/49/00/385784900.db2.gz VVVZQUKPRPBGHE-ZZKXABKFSA-N 0 3 222.288 0.692 20 0 BCADHN CCN(CC)CC(=O)N(CCOC)C1CC1 ZINC000337595623 385719497 /nfs/dbraw/zinc/71/94/97/385719497.db2.gz KJOXZZSNMWJTNR-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H](N)C(=O)N1CCCO[C@@H]2CCC[C@H]21 ZINC000309592591 385723510 /nfs/dbraw/zinc/72/35/10/385723510.db2.gz HFRTZSCAUINCGF-OPRDCNLKSA-N 0 3 212.293 0.504 20 0 BCADHN C[C@H](CO)[C@H](C)NCC(=O)NCC1CCC1 ZINC000309596926 385725071 /nfs/dbraw/zinc/72/50/71/385725071.db2.gz WJNVCQKIFCAHMA-ZJUUUORDSA-N 0 3 228.336 0.509 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CCSC1 ZINC000186818810 385799947 /nfs/dbraw/zinc/79/99/47/385799947.db2.gz KIVSINYUKIBVOA-MRVPVSSYSA-N 0 3 202.323 0.560 20 0 BCADHN COC[C@H]1CCN(Cc2ccnn2C)C1 ZINC000271192963 385804028 /nfs/dbraw/zinc/80/40/28/385804028.db2.gz QCYLIMKGJSWXDE-JTQLQIEISA-N 0 3 209.293 0.888 20 0 BCADHN Cc1n[nH]c(C)c1CN1CC[C@@](C)(O)C1 ZINC000271218789 385806032 /nfs/dbraw/zinc/80/60/32/385806032.db2.gz OADWLOJTYIACBL-LLVKDONJSA-N 0 3 209.293 0.983 20 0 BCADHN CO[C@@H](C)CCNC[C@@H](C)S(C)(=O)=O ZINC000521426742 385814064 /nfs/dbraw/zinc/81/40/64/385814064.db2.gz NYKFPWWAFBPSLU-DTWKUNHWSA-N 0 3 223.338 0.434 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@@H](N)C(C)C ZINC000336716032 385814377 /nfs/dbraw/zinc/81/43/77/385814377.db2.gz WXAKGYKLFLSPMP-APPZFPTMSA-N 0 3 216.281 0.038 20 0 BCADHN CCOC[C@@H](O)CN(C)CCc1cnccn1 ZINC000271303916 385815123 /nfs/dbraw/zinc/81/51/23/385815123.db2.gz GCRFHQIIKCVMLL-LBPRGKRZSA-N 0 3 239.319 0.348 20 0 BCADHN CC1(CO)CCN([C@@H]2CCCCNC2=O)CC1 ZINC000186912369 385815257 /nfs/dbraw/zinc/81/52/57/385815257.db2.gz NRFUURDJMXMRIC-LLVKDONJSA-N 0 3 240.347 0.750 20 0 BCADHN COC[C@@H](N[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000336656981 385815879 /nfs/dbraw/zinc/81/58/79/385815879.db2.gz AOUJGRPHOQSEMH-NXEZZACHSA-N 0 3 212.293 0.232 20 0 BCADHN COC[C@@H](N[C@H]1CC(=O)N(C)C1)C1CC1 ZINC000336656983 385816044 /nfs/dbraw/zinc/81/60/44/385816044.db2.gz AOUJGRPHOQSEMH-VHSXEESVSA-N 0 3 212.293 0.232 20 0 BCADHN CN(CCO)[C@H]1Cc2ccccc2[C@H]1O ZINC000271866416 385857485 /nfs/dbraw/zinc/85/74/85/385857485.db2.gz BGPQYZKWWQHEAB-NWDGAFQWSA-N 0 3 207.273 0.569 20 0 BCADHN COCC[C@H]1COCCN1CCC(C)(C)O ZINC000365839519 385823983 /nfs/dbraw/zinc/82/39/83/385823983.db2.gz UMXGZZPUBUWQIE-NSHDSACASA-N 0 3 231.336 0.885 20 0 BCADHN CC[C@H]1CN(Cc2ccc(CO)o2)C[C@H]1O ZINC000271403510 385826730 /nfs/dbraw/zinc/82/67/30/385826730.db2.gz WFTNVUUEOGCTLH-JOYOIKCWSA-N 0 3 225.288 0.975 20 0 BCADHN CCc1ccc([C@H]2CNCCN2C(=O)CN)cc1 ZINC000261716226 385827850 /nfs/dbraw/zinc/82/78/50/385827850.db2.gz DWAUUUZDVITRLF-CYBMUJFWSA-N 0 3 247.342 0.681 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC2(CCC2)C[C@H]1C ZINC000335628080 385828440 /nfs/dbraw/zinc/82/84/40/385828440.db2.gz LMAMXMWJBQDEIR-ZJUUUORDSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H]1CN([C@H]2COC[C@H]2O)C[C@@H](C)S1 ZINC000643372473 385837796 /nfs/dbraw/zinc/83/77/96/385837796.db2.gz DLWNYZGEEKONHZ-DOLQZWNJSA-N 0 3 217.334 0.572 20 0 BCADHN C[C@@H](N[C@@H](C)C(=O)NCCF)[C@H]1CCCO1 ZINC000336725280 385840819 /nfs/dbraw/zinc/84/08/19/385840819.db2.gz BKZBBKKGBXGHNX-KXUCPTDWSA-N 0 3 232.299 0.618 20 0 BCADHN CS[C@H]1CN(c2cnccn2)C[C@H]1N(C)C ZINC000271653364 385844201 /nfs/dbraw/zinc/84/42/01/385844201.db2.gz SOYQPTWKFBBYRX-ZJUUUORDSA-N 0 3 238.360 0.958 20 0 BCADHN CCN(C)C(=O)CN(C)CCCn1ccnc1 ZINC000271707163 385846091 /nfs/dbraw/zinc/84/60/91/385846091.db2.gz OPSZMSRTJGAYQG-UHFFFAOYSA-N 0 3 238.335 0.683 20 0 BCADHN C[C@@H](C(=O)NC1(CO)CC1)N1[C@H](C)CC[C@@H]1C ZINC000413638525 385847264 /nfs/dbraw/zinc/84/72/64/385847264.db2.gz IWTYUDKQVIPTMP-AXFHLTTASA-N 0 3 240.347 0.889 20 0 BCADHN Cn1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000644837257 385847644 /nfs/dbraw/zinc/84/76/44/385847644.db2.gz JDXXHCISTKLCMA-GDNZZTSVSA-N 0 3 206.289 0.695 20 0 BCADHN Cc1cn[nH]c1CN(C)CCN1CCOCC1 ZINC000284266791 385858747 /nfs/dbraw/zinc/85/87/47/385858747.db2.gz SEEFBABXAVFPKE-UHFFFAOYSA-N 0 3 238.335 0.482 20 0 BCADHN CC[C@H](C(=O)N1CCOC[C@H]1C1CC1)N(C)C ZINC000413660005 385852975 /nfs/dbraw/zinc/85/29/75/385852975.db2.gz VDGNNYLKIABPFE-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN COCC[C@](C)(O)CN[C@@H](C)c1cn[nH]c1 ZINC000284182805 385855735 /nfs/dbraw/zinc/85/57/35/385855735.db2.gz RCXDIZUQORRPDZ-ONGXEEELSA-N 0 3 227.308 0.848 20 0 BCADHN Cn1nccc1CN[C@H]1CCC(=O)NC12CCC2 ZINC000282871872 385792461 /nfs/dbraw/zinc/79/24/61/385792461.db2.gz RDLJYZGRIPZLRY-NSHDSACASA-N 0 3 248.330 0.711 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@@H](N)CCC(C)C ZINC000602453969 385794017 /nfs/dbraw/zinc/79/40/17/385794017.db2.gz LWVOQTBTKQAEPQ-UWVGGRQHSA-N 0 3 244.335 0.675 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cccnc2)[C@H]1C ZINC000071521328 385794156 /nfs/dbraw/zinc/79/41/56/385794156.db2.gz UQIADXOQHFZVAS-UWVGGRQHSA-N 0 3 219.288 0.904 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@H](N)C1CCOCC1 ZINC000337804761 385794975 /nfs/dbraw/zinc/79/49/75/385794975.db2.gz JJBUREORSMPRML-GHMZBOCLSA-N 0 3 244.335 0.018 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)CCn1cccn1 ZINC000294692675 385884243 /nfs/dbraw/zinc/88/42/43/385884243.db2.gz AITBFLCPDUPEOF-JTQLQIEISA-N 0 3 236.319 0.482 20 0 BCADHN CCN1CC[C@@H](NC(=O)N(C)[C@H](C)COC)C1 ZINC000413814035 385889226 /nfs/dbraw/zinc/88/92/26/385889226.db2.gz FHGYQMFKAORDMQ-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN CCc1cccc(CN2CC[C@@](O)(C(N)=O)C2)c1 ZINC000284894013 385889265 /nfs/dbraw/zinc/88/92/65/385889265.db2.gz GENCTGMREQZANE-AWEZNQCLSA-N 0 3 248.326 0.671 20 0 BCADHN CC(C)(O)CCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000331747791 385891610 /nfs/dbraw/zinc/89/16/10/385891610.db2.gz DZDMGCFACAYPPU-NSHDSACASA-N 0 3 240.347 0.890 20 0 BCADHN COC(=O)CCCN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000123575741 385892797 /nfs/dbraw/zinc/89/27/97/385892797.db2.gz JERRSUAZBNJTAI-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@H](NC[C@H](O)CN(C)C)c1ccncc1F ZINC000340479032 385894978 /nfs/dbraw/zinc/89/49/78/385894978.db2.gz UFZKWJMPINGOAT-UWVGGRQHSA-N 0 3 241.310 0.794 20 0 BCADHN CN(C)CCN(C)C(=O)Cc1ccncc1 ZINC000272347151 385896191 /nfs/dbraw/zinc/89/61/91/385896191.db2.gz BPEANLHXURMSCQ-UHFFFAOYSA-N 0 3 221.304 0.644 20 0 BCADHN CC[C@@H](C(=O)N(C1CC1)C1COC1)N(C)C ZINC000413847559 385898667 /nfs/dbraw/zinc/89/86/67/385898667.db2.gz VCKKIRXLWSGSOM-NSHDSACASA-N 0 3 226.320 0.716 20 0 BCADHN CC[C@H](CO)N(C)C(=O)[C@@H](CC)N(C)C ZINC000413846721 385899308 /nfs/dbraw/zinc/89/93/08/385899308.db2.gz UDPKPIWBNRVWQT-NXEZZACHSA-N 0 3 216.325 0.556 20 0 BCADHN CC[C@H](C(=O)N(C1CC1)C1COC1)N(C)C ZINC000413847558 385899328 /nfs/dbraw/zinc/89/93/28/385899328.db2.gz VCKKIRXLWSGSOM-LLVKDONJSA-N 0 3 226.320 0.716 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1C[C@@H]1C(F)F ZINC000338132997 385902353 /nfs/dbraw/zinc/90/23/53/385902353.db2.gz JGJAJJPFVBVMFW-JGVFFNPUSA-N 0 3 220.263 0.908 20 0 BCADHN C[C@H]1CCCN(CCN=c2nc[nH]n2C)C1 ZINC000647856528 385906082 /nfs/dbraw/zinc/90/60/82/385906082.db2.gz GHOPZKHGVXOVQC-JTQLQIEISA-N 0 3 223.324 0.381 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@@H](OCc2ccccn2)C1 ZINC000272475957 385907125 /nfs/dbraw/zinc/90/71/25/385907125.db2.gz QWUXPXKVWILTKK-CMPLNLGQSA-N 0 3 249.314 0.546 20 0 BCADHN Cc1c[nH]nc1CNCCc1cnccn1 ZINC000336721391 385910648 /nfs/dbraw/zinc/91/06/48/385910648.db2.gz ZRQQXCNRGPWEOF-UHFFFAOYSA-N 0 3 217.276 0.840 20 0 BCADHN Cn1ncnc1N1CCN(C2CCCC2)CC1 ZINC000647854856 385910837 /nfs/dbraw/zinc/91/08/37/385910837.db2.gz KDFMGXVWMGLOIH-UHFFFAOYSA-N 0 3 235.335 0.880 20 0 BCADHN CC(C)CCN1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366756847 385913258 /nfs/dbraw/zinc/91/32/58/385913258.db2.gz LTYZTFACPIPMGX-GHMZBOCLSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1cc(=O)c(C(=O)NCCCN(C)C)c[nH]1 ZINC000219143169 385920093 /nfs/dbraw/zinc/92/00/93/385920093.db2.gz CTGQVRJSYALSIG-UHFFFAOYSA-N 0 3 237.303 0.365 20 0 BCADHN COC[C@H](CCO)NCc1c(C)nn(C)c1C ZINC000219129916 385920329 /nfs/dbraw/zinc/92/03/29/385920329.db2.gz PUQWJLRIWPQFCQ-NSHDSACASA-N 0 3 241.335 0.524 20 0 BCADHN C/C=C/C[C@@H](CO)NC(=O)C1CCN(C)CC1 ZINC000354183312 385921122 /nfs/dbraw/zinc/92/11/22/385921122.db2.gz ZHBAOOLPQYOWPF-PCAWENJQSA-N 0 3 240.347 0.772 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCN2CCC1CC2 ZINC000335036241 385925534 /nfs/dbraw/zinc/92/55/34/385925534.db2.gz ATPDTEHSCBQQRS-ZDUSSCGKSA-N 0 3 239.363 0.811 20 0 BCADHN COC[C@@H](CN[C@H](C)c1ccnn1C)OC ZINC000219297441 385926938 /nfs/dbraw/zinc/92/69/38/385926938.db2.gz VDCJKLZZOIRZQS-NXEZZACHSA-N 0 3 227.308 0.732 20 0 BCADHN Cc1c(C(=O)NCC2=CCN(C)CC2)nnn1C ZINC000271926148 385860373 /nfs/dbraw/zinc/86/03/73/385860373.db2.gz UJZUCTASVZWIBI-UHFFFAOYSA-N 0 3 249.318 0.115 20 0 BCADHN CO[C@@]1(C)C[C@@H](N(C)C(=O)CN)C1(C)C ZINC000121651960 385860416 /nfs/dbraw/zinc/86/04/16/385860416.db2.gz LZLWYUCXHHZODU-KCJUWKMLSA-N 0 3 214.309 0.607 20 0 BCADHN CN1CC=C(CNC(=O)c2cnccn2)CC1 ZINC000271931697 385861188 /nfs/dbraw/zinc/86/11/88/385861188.db2.gz VGMSMDPSFRXPCD-UHFFFAOYSA-N 0 3 232.287 0.468 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCNCc2ccccc21 ZINC000335037405 385927730 /nfs/dbraw/zinc/92/77/30/385927730.db2.gz JSTLQCMJJOMHJG-WDEREUQCSA-N 0 3 231.299 0.470 20 0 BCADHN O=C(CNC1CC1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000301758389 385865235 /nfs/dbraw/zinc/86/52/35/385865235.db2.gz HIDOQJRWYPOIQY-JSGCOSHPSA-N 0 3 246.310 0.513 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1nnc2ccccn21 ZINC000262628019 385866317 /nfs/dbraw/zinc/86/63/17/385866317.db2.gz DYDHAITYGFNQGR-SECBINFHSA-N 0 3 233.275 0.651 20 0 BCADHN O=C1CCN([C@H]2Cc3ccccc3[C@H]2O)CCN1 ZINC000272005274 385867792 /nfs/dbraw/zinc/86/77/92/385867792.db2.gz SEOBIUSQBZSYIP-GXTWGEPZSA-N 0 3 246.310 0.467 20 0 BCADHN CN1C[C@@H]2CCN(Cc3ccc(CO)o3)[C@@H]2C1 ZINC000644840517 385868609 /nfs/dbraw/zinc/86/86/09/385868609.db2.gz KVUXMGDINCUGBT-GXFFZTMASA-N 0 3 236.315 0.908 20 0 BCADHN CN1C[C@H]2CCN(Cc3ccc(CO)o3)[C@H]2C1 ZINC000644840518 385868770 /nfs/dbraw/zinc/86/87/70/385868770.db2.gz KVUXMGDINCUGBT-MFKMUULPSA-N 0 3 236.315 0.908 20 0 BCADHN CC(C)[C@@](C)(O)CNCc1cnn(C)c1 ZINC000123281063 385868794 /nfs/dbraw/zinc/86/87/94/385868794.db2.gz AVEGIGHTOWLZFD-NSHDSACASA-N 0 3 211.309 0.917 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H](C)[C@@H]1CO)N(C)C ZINC000413732857 385872483 /nfs/dbraw/zinc/87/24/83/385872483.db2.gz CCNUZUGGVTYQJL-AXFHLTTASA-N 0 3 228.336 0.556 20 0 BCADHN C[C@@H](C(=O)N(C)CC(N)=O)N1[C@H](C)CC[C@H]1C ZINC000338003250 385874136 /nfs/dbraw/zinc/87/41/36/385874136.db2.gz HNJNHXVQGRIVBL-BBBLOLIVSA-N 0 3 241.335 0.191 20 0 BCADHN CN1C[C@@H]2CCN(Cc3csnn3)[C@@H]2C1 ZINC000644841839 385883108 /nfs/dbraw/zinc/88/31/08/385883108.db2.gz SHQKFFNZFRXESB-WCBMZHEXSA-N 0 3 224.333 0.674 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CO)C(C)(C)C)N(C)C ZINC000413790417 385883431 /nfs/dbraw/zinc/88/34/31/385883431.db2.gz WXKBFELNTYXAJQ-ZJUUUORDSA-N 0 3 230.352 0.850 20 0 BCADHN CN([C@@H]1COC[C@H]1O)[C@H]1Cc2ccccc2[C@H]1O ZINC000285925189 385977745 /nfs/dbraw/zinc/97/77/45/385977745.db2.gz LJSVWMVESRUULW-REWJHTLYSA-N 0 3 249.310 0.336 20 0 BCADHN CN(CCc1ccccc1)[C@@H]1COC[C@H]1O ZINC000285958569 385980332 /nfs/dbraw/zinc/98/03/32/385980332.db2.gz NAMGENXSYOSZDY-CHWSQXEVSA-N 0 3 221.300 0.921 20 0 BCADHN 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ZINC000345070807 385984399 /nfs/dbraw/zinc/98/43/99/385984399.db2.gz CHDPXRFYXGQJMM-SNVBAGLBSA-N 0 3 236.381 0.902 20 0 BCADHN CC(C)(O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000365271575 385985511 /nfs/dbraw/zinc/98/55/11/385985511.db2.gz WBHNQMXTFRPFTL-SNVBAGLBSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@@H](N[C@H]1CCO[C@H]1C)C1(S(C)(=O)=O)CC1 ZINC000336748362 385985507 /nfs/dbraw/zinc/98/55/07/385985507.db2.gz SREVUZZUHLWTEY-AEJSXWLSSA-N 0 3 247.360 0.719 20 0 BCADHN C[C@@H](N)C(=O)NC(C)(C)c1nccs1 ZINC000083907880 385986956 /nfs/dbraw/zinc/98/69/56/385986956.db2.gz UVERHUXEPINRJF-ZCFIWIBFSA-N 0 3 213.306 0.842 20 0 BCADHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CCO)n1 ZINC000096811512 385988085 /nfs/dbraw/zinc/98/80/85/385988085.db2.gz GRILCPYQDQEUEL-QMMMGPOBSA-N 0 3 210.277 0.956 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC1=CCN(C)CC1 ZINC000336749007 385990505 /nfs/dbraw/zinc/99/05/05/385990505.db2.gz TVIUNCJTLJQROK-JTQLQIEISA-N 0 3 246.376 0.271 20 0 BCADHN C[C@H](O)CCN1CCN(CC[C@H](C)O)[C@@H](C)C1 ZINC000425416541 385991125 /nfs/dbraw/zinc/99/11/25/385991125.db2.gz LKRISOJDCSOGSL-AVGNSLFASA-N 0 3 244.379 0.534 20 0 BCADHN C[C@@H](O)CCN1CCN(CC[C@H](C)O)[C@H](C)C1 ZINC000425416547 385995383 /nfs/dbraw/zinc/99/53/83/385995383.db2.gz LKRISOJDCSOGSL-UPJWGTAASA-N 0 3 244.379 0.534 20 0 BCADHN CN1CC[C@H](N2CCC[C@@]3(CCOC3)C2)C1=O ZINC000335041585 385933654 /nfs/dbraw/zinc/93/36/54/385933654.db2.gz VLPRMWJWAVXVJE-WCQYABFASA-N 0 3 238.331 0.720 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC[C@]2(CCOC2)C1 ZINC000335041632 385934009 /nfs/dbraw/zinc/93/40/09/385934009.db2.gz UNDZLOJLOVEDKM-YPMHNXCESA-N 0 3 240.347 0.966 20 0 BCADHN COC[C@H](O)CCNCc1snnc1C ZINC000309004343 385934305 /nfs/dbraw/zinc/93/43/05/385934305.db2.gz SZILSDYHMASISJ-MRVPVSSYSA-N 0 3 231.321 0.334 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC[C@@]2(CCOC2)C1 ZINC000335041631 385934270 /nfs/dbraw/zinc/93/42/70/385934270.db2.gz UNDZLOJLOVEDKM-WCQYABFASA-N 0 3 240.347 0.966 20 0 BCADHN COC(=O)[C@](C)(O)CN(C)C[C@H]1CCCCO1 ZINC000251146988 385934404 /nfs/dbraw/zinc/93/44/04/385934404.db2.gz XRARUOSYQSBPTL-ZYHUDNBSSA-N 0 3 245.319 0.411 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@H](CO)[C@@H]1C ZINC000414021955 385938319 /nfs/dbraw/zinc/93/83/19/385938319.db2.gz BJJFMVKHEJTYET-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@H](CO)[C@@H]1C ZINC000414023986 385939641 /nfs/dbraw/zinc/93/96/41/385939641.db2.gz CVGOGHSZEXZODB-NWDGAFQWSA-N 0 3 242.363 0.946 20 0 BCADHN CN1CC=C(CNC(=O)[C@@]2(C)CCOC2)CC1 ZINC000335045907 385942009 /nfs/dbraw/zinc/94/20/09/385942009.db2.gz BJLOFLSOHFJQKE-ZDUSSCGKSA-N 0 3 238.331 0.791 20 0 BCADHN COC(=O)c1cc(CN[C@H](C)CN(C)C)c[nH]1 ZINC000342186079 385943229 /nfs/dbraw/zinc/94/32/29/385943229.db2.gz DCMODBUOTNIRHI-SECBINFHSA-N 0 3 239.319 0.841 20 0 BCADHN Cc1csc(=O)n1CCN(C)C1(CO)CC1 ZINC000285577597 385943629 /nfs/dbraw/zinc/94/36/29/385943629.db2.gz SYSARVSMXMADCK-UHFFFAOYSA-N 0 3 242.344 0.675 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000335048773 385944420 /nfs/dbraw/zinc/94/44/20/385944420.db2.gz DFAYPFDCZXZRCS-JGVFFNPUSA-N 0 3 216.244 0.849 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(C(=O)/C=C/CN(C)C)C1 ZINC000272886393 385945261 /nfs/dbraw/zinc/94/52/61/385945261.db2.gz AAKUKQNDUYKURR-XKFHPXPTSA-N 0 3 226.320 0.334 20 0 BCADHN C[C@H](NCCO)c1ccccc1-n1ccnn1 ZINC000285587842 385946180 /nfs/dbraw/zinc/94/61/80/385946180.db2.gz IZUXMUXJTJSKKC-JTQLQIEISA-N 0 3 232.287 0.910 20 0 BCADHN CN(C)C1(CNC(=O)CO)Cc2ccccc2C1 ZINC000295026992 385946557 /nfs/dbraw/zinc/94/65/57/385946557.db2.gz RDEOOVBQSZVEJE-UHFFFAOYSA-N 0 3 248.326 0.194 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H](CO)[C@H]1C)N(C)C ZINC000414076320 385947467 /nfs/dbraw/zinc/94/74/67/385947467.db2.gz PVAKZVPTHTUBMV-IJLUTSLNSA-N 0 3 242.363 0.946 20 0 BCADHN CN(Cc1ccn(C)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295045128 385952810 /nfs/dbraw/zinc/95/28/10/385952810.db2.gz FEPFOWFRBIECSP-KGLIPLIRSA-N 0 3 249.358 0.930 20 0 BCADHN Cc1[nH]cnc1CC(=O)NCCC1(O)CCC1 ZINC000285701053 385956703 /nfs/dbraw/zinc/95/67/03/385956703.db2.gz QHRKVWOEALDUTJ-UHFFFAOYSA-N 0 3 237.303 0.682 20 0 BCADHN CCOC[C@H]1CCCN([C@H](CC)C(N)=O)C1 ZINC000072976116 385962345 /nfs/dbraw/zinc/96/23/45/385962345.db2.gz RVOXICIPRLUIAL-WDEREUQCSA-N 0 3 228.336 0.999 20 0 BCADHN C[C@H](NCCCN1CCOCC1)c1ncc[nH]1 ZINC000285769157 385963395 /nfs/dbraw/zinc/96/33/95/385963395.db2.gz SRAODNKMEAKDRF-NSHDSACASA-N 0 3 238.335 0.783 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000305188737 385972828 /nfs/dbraw/zinc/97/28/28/385972828.db2.gz URJFHDJFGUXQMG-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)C(=O)OC(C)C ZINC000456625197 385973123 /nfs/dbraw/zinc/97/31/23/385973123.db2.gz CGWRUQLDBIHSNZ-JTQLQIEISA-N 0 3 244.335 0.785 20 0 BCADHN Cn1cc(CNCCC[S@](C)=O)cn1 ZINC000124226021 386002942 /nfs/dbraw/zinc/00/29/42/386002942.db2.gz UQSQCHYFECAEDX-CQSZACIVSA-N 0 3 215.322 0.278 20 0 BCADHN C[C@@H](NC[C@]1(O)CCN(C)C1)c1nccs1 ZINC000336750386 386003472 /nfs/dbraw/zinc/00/34/72/386003472.db2.gz UUJLVSOLAXPFKC-MWLCHTKSSA-N 0 3 241.360 0.860 20 0 BCADHN c1nnc2cncc(N3CCN4CCC3CC4)n12 ZINC000365286406 386007549 /nfs/dbraw/zinc/00/75/49/386007549.db2.gz DKQUUQRRSQOOLG-UHFFFAOYSA-N 0 3 244.302 0.409 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H](C)C(=O)OC ZINC000338454420 386009386 /nfs/dbraw/zinc/00/93/86/386009386.db2.gz NVIMVESPIBYBHY-SECBINFHSA-N 0 3 230.308 0.254 20 0 BCADHN CN(C)CCN1CCN(C(=O)CC2CC2)CC1 ZINC000345142837 386010366 /nfs/dbraw/zinc/01/03/66/386010366.db2.gz XQAPAJQXXLZLDU-UHFFFAOYSA-N 0 3 239.363 0.492 20 0 BCADHN C[C@H](C(=O)NCCN(C)C)C(C)(F)F ZINC000338475808 386014031 /nfs/dbraw/zinc/01/40/31/386014031.db2.gz SRDSFRMNNUCRAQ-SSDOTTSWSA-N 0 3 208.252 0.956 20 0 BCADHN COC[C@@H](O)CNCc1cnccc1N(C)C ZINC000338476676 386014205 /nfs/dbraw/zinc/01/42/05/386014205.db2.gz GYFBTFOCGGCOKJ-NSHDSACASA-N 0 3 239.319 0.245 20 0 BCADHN CO[C@H]1CCCC[C@@H]1C(=O)NCCN(C)C ZINC000338473144 386014228 /nfs/dbraw/zinc/01/42/28/386014228.db2.gz KWYSXCVODKPKIM-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CCCn1cc(CNCCNCCOC)cn1 ZINC000414882523 386015106 /nfs/dbraw/zinc/01/51/06/386015106.db2.gz LLDXUMQMUPROKP-UHFFFAOYSA-N 0 3 240.351 0.619 20 0 BCADHN COC[C@@H](O)CNCc1cnn(CC(C)C)c1 ZINC000338481395 386015976 /nfs/dbraw/zinc/01/59/76/386015976.db2.gz WDIDKDOOTDMAKG-LBPRGKRZSA-N 0 3 241.335 0.636 20 0 BCADHN COC[C@@H](O)CNCc1cccc2nccn21 ZINC000338483040 386016156 /nfs/dbraw/zinc/01/61/56/386016156.db2.gz JEFFMARAOQSIAW-NSHDSACASA-N 0 3 235.287 0.431 20 0 BCADHN CC[C@@H]([NH3+])CNCc1nc(C)ccc1[O-] ZINC000414975338 386016739 /nfs/dbraw/zinc/01/67/39/386016739.db2.gz GDLCLYCNOQRNQT-SECBINFHSA-N 0 3 209.293 0.923 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414178198 386020044 /nfs/dbraw/zinc/02/00/44/386020044.db2.gz HEHNXTXVJJGXEL-NZHYYXIDSA-N 0 3 215.293 0.556 20 0 BCADHN CC[C@@H](C)CN1CC[C@@H](S(=O)(=O)NC)C1 ZINC000370997670 386021262 /nfs/dbraw/zinc/02/12/62/386021262.db2.gz JEAUMUFEFLJJNF-NXEZZACHSA-N 0 3 234.365 0.656 20 0 BCADHN CC/C=C/CCN1C(C)C(=O)N(C)S1(=O)=O ZINC000295385648 386024154 /nfs/dbraw/zinc/02/41/54/386024154.db2.gz QMCULDJCONZBHM-VUHVRTRXSA-N 0 3 246.332 0.750 20 0 BCADHN Cc1nnsc1CNCCc1cnn(C)c1 ZINC000309735082 386024955 /nfs/dbraw/zinc/02/49/55/386024955.db2.gz GIBIUIBHUDGXPI-UHFFFAOYSA-N 0 3 237.332 0.912 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1CCO[C@@H]1C ZINC000414185679 386025417 /nfs/dbraw/zinc/02/54/17/386025417.db2.gz OPXSBIZRXWZXSF-DOLQZWNJSA-N 0 3 201.266 0.167 20 0 BCADHN COC[C@H](N[C@@H]1CCS(=O)(=O)[C@@H]1C)C1CC1 ZINC000309852178 386030494 /nfs/dbraw/zinc/03/04/94/386030494.db2.gz YOEAOTXANXNIMC-IEBDPFPHSA-N 0 3 247.360 0.577 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H](C)[C@@H]1CCCO1 ZINC000414192522 386030837 /nfs/dbraw/zinc/03/08/37/386030837.db2.gz VUUUSCAVAIOLEH-XWLWVQCSSA-N 0 3 215.293 0.557 20 0 BCADHN COC[C@@](C)(CCO)NCc1c(C)cnn1C ZINC000286380213 386031168 /nfs/dbraw/zinc/03/11/68/386031168.db2.gz GQJHKTNTSKTFEG-GFCCVEGCSA-N 0 3 241.335 0.606 20 0 BCADHN C[C@H]1C[C@@H]1CNC(=O)N1CCCN(C)CC1 ZINC000334423229 386031566 /nfs/dbraw/zinc/03/15/66/386031566.db2.gz VHQGIKRYMGUOEO-WDEREUQCSA-N 0 3 225.336 0.990 20 0 BCADHN Cc1ncc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)[nH]1 ZINC000335063173 386032135 /nfs/dbraw/zinc/03/21/35/386032135.db2.gz OUPPQPAPFJJSQL-WPRPVWTQSA-N 0 3 236.319 0.931 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000356132809 386032626 /nfs/dbraw/zinc/03/26/26/386032626.db2.gz NVSXEYCLZCKILP-NHCYSSNCSA-N 0 3 238.331 0.764 20 0 BCADHN CNC(=O)CCN1CCO[C@H]2CCC[C@H]21 ZINC000334428688 386036040 /nfs/dbraw/zinc/03/60/40/386036040.db2.gz IKNBKCVXINJKOB-ZJUUUORDSA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@@H](COC)NC(=O)CNC[C@@H]1CCCO1 ZINC000237006762 259680468 /nfs/dbraw/zinc/68/04/68/259680468.db2.gz DOCGOPZHFFMLOA-QWRGUYRKSA-N 0 3 244.335 0.296 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](C)C1 ZINC000334429064 386040134 /nfs/dbraw/zinc/04/01/34/386040134.db2.gz IQOOMEFCXRPISD-HTQZYQBOSA-N 0 3 213.281 0.172 20 0 BCADHN CC(C)[C@@](C)(CO)NCC(=O)NC1CC1 ZINC000336771439 386041486 /nfs/dbraw/zinc/04/14/86/386041486.db2.gz XKQRSXPDKUMHNL-LLVKDONJSA-N 0 3 214.309 0.262 20 0 BCADHN CC(C)[C@H](N)c1cn(CC(=O)N2CCC2)nn1 ZINC000309991190 386041971 /nfs/dbraw/zinc/04/19/71/386041971.db2.gz OWUXQJUDYIWYHW-NSHDSACASA-N 0 3 237.307 0.166 20 0 BCADHN C[C@H]1CN(Cc2cnn(C)c2)[C@@H](C)CN1C ZINC000334437156 386042054 /nfs/dbraw/zinc/04/20/54/386042054.db2.gz QWQXEPUOWNZXRQ-QWRGUYRKSA-N 0 3 222.336 0.945 20 0 BCADHN COC[C@H](NC[C@H]1CN(C)C(=O)O1)C1CC1 ZINC000393910414 386042007 /nfs/dbraw/zinc/04/20/07/386042007.db2.gz SFZOQHPSPDZCTP-UWVGGRQHSA-N 0 3 228.292 0.452 20 0 BCADHN COC(=O)C(C)(C)CCN1CC[C@H](O)C1 ZINC000338548009 386042570 /nfs/dbraw/zinc/04/25/70/386042570.db2.gz QNYBPHZPWNDZQH-VIFPVBQESA-N 0 3 215.293 0.642 20 0 BCADHN CC(=O)NCC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000124402390 386046665 /nfs/dbraw/zinc/04/66/65/386046665.db2.gz VZXMARWWYPCNLD-ONGXEEELSA-N 0 3 241.335 0.064 20 0 BCADHN COCCO[C@H]1CCN(CCCC(=O)OC)C1 ZINC000189665210 386057644 /nfs/dbraw/zinc/05/76/44/386057644.db2.gz HJSGLIMLTDJJFT-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@]1(C)CCCO1 ZINC000162305244 386057733 /nfs/dbraw/zinc/05/77/33/386057733.db2.gz KTRPLCRLPHHEIL-QWRGUYRKSA-N 0 3 249.376 0.968 20 0 BCADHN Cc1csc(=O)n1CCN(C)CCC(N)=O ZINC000286559032 386051882 /nfs/dbraw/zinc/05/18/82/386051882.db2.gz SXUCXALMUZCZEM-UHFFFAOYSA-N 0 3 243.332 0.025 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@@H]1CCCCO1 ZINC000162235972 386055008 /nfs/dbraw/zinc/05/50/08/386055008.db2.gz BTOWYLWCHWUGMB-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000234797917 386102103 /nfs/dbraw/zinc/10/21/03/386102103.db2.gz ZQAWSHDMAAISKE-STQMWFEESA-N 0 3 248.326 0.976 20 0 BCADHN COC[C@H](CO)NCc1nc(C)ccc1O ZINC000234799096 386102140 /nfs/dbraw/zinc/10/21/40/386102140.db2.gz JQRJWOKRZIQFHA-VIFPVBQESA-N 0 3 226.276 0.193 20 0 BCADHN CCOC(=O)CC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345317119 386103886 /nfs/dbraw/zinc/10/38/86/386103886.db2.gz JXRPCXKSTIVZHM-VHSXEESVSA-N 0 3 242.319 0.539 20 0 BCADHN CO[C@@H](C)CCNC(=O)CN(C)C(C)C ZINC000338699510 386113898 /nfs/dbraw/zinc/11/38/98/386113898.db2.gz LUKSMBCTWZRLKK-JTQLQIEISA-N 0 3 216.325 0.868 20 0 BCADHN CCN(C)CCNC(=O)CCc1ncc[nH]1 ZINC000287350598 386113968 /nfs/dbraw/zinc/11/39/68/386113968.db2.gz FXRWTARUXHBFFQ-UHFFFAOYSA-N 0 3 224.308 0.410 20 0 BCADHN O=C1NC[C@@H]2[C@H]1CCCN2CCc1ccncc1 ZINC000334460041 386117147 /nfs/dbraw/zinc/11/71/47/386117147.db2.gz MQWJRVHTBWJHLX-CHWSQXEVSA-N 0 3 245.326 0.835 20 0 BCADHN CCOC(=O)CCN1CC[C@@H](OCCOC)C1 ZINC000189672305 386059820 /nfs/dbraw/zinc/05/98/20/386059820.db2.gz PVISOYHCNJDCQV-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cn(C)nn2)CCN1C ZINC000345210215 386060132 /nfs/dbraw/zinc/06/01/32/386060132.db2.gz YCUCTDGADDNNAC-BDAKNGLRSA-N 0 3 237.307 0.028 20 0 BCADHN Cc1[nH]ncc1CN1CC[S@](=O)[C@@H](C)C1 ZINC000334436057 386061067 /nfs/dbraw/zinc/06/10/67/386061067.db2.gz 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0 3 236.319 0.377 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccncn1 ZINC000286855099 386076681 /nfs/dbraw/zinc/07/66/81/386076681.db2.gz BMPHTVZXXJYMEG-QMMMGPOBSA-N 0 3 208.265 0.157 20 0 BCADHN C[C@@H](O)CN1CCC[C@@H](N2CCCCC2=O)C1 ZINC000365405215 386079352 /nfs/dbraw/zinc/07/93/52/386079352.db2.gz UVJHYCOCOYOQKU-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN Cc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)CN ZINC000415416844 386079805 /nfs/dbraw/zinc/07/98/05/386079805.db2.gz LCPZNZZJKMCPPK-JTQLQIEISA-N 0 3 249.314 0.739 20 0 BCADHN CCN1CCC[C@@H](NC(=O)NC[C@@H](C)O)C1 ZINC000408400764 386080420 /nfs/dbraw/zinc/08/04/20/386080420.db2.gz WWGPINVSLOEKQH-NXEZZACHSA-N 0 3 229.324 0.151 20 0 BCADHN CCN1CCC[C@H](NC(=O)NC[C@H](C)O)C1 ZINC000408400765 386080927 /nfs/dbraw/zinc/08/09/27/386080927.db2.gz WWGPINVSLOEKQH-UWVGGRQHSA-N 0 3 229.324 0.151 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H](O)c1ccccn1 ZINC000286877025 386080959 /nfs/dbraw/zinc/08/09/59/386080959.db2.gz DWLQTSMWFMFNBU-ONGXEEELSA-N 0 3 237.303 0.181 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H](C)c1ncon1 ZINC000336728744 386082004 /nfs/dbraw/zinc/08/20/04/386082004.db2.gz CQKVTNHICWWDOK-BQBZGAKWSA-N 0 3 212.253 0.374 20 0 BCADHN NC(C(=O)NC[C@@H]1CCCCO1)C(F)(F)F ZINC000353180206 386084008 /nfs/dbraw/zinc/08/40/08/386084008.db2.gz LKZBJCMCXXLIPN-NKWVEPMBSA-N 0 3 240.225 0.561 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1coc(C(N)=O)c1 ZINC000286947287 386086122 /nfs/dbraw/zinc/08/61/22/386086122.db2.gz KIXKGHMALWHKFP-ZETCQYMHSA-N 0 3 239.275 0.058 20 0 BCADHN COC[C@@H](C)N1CCC(CC(N)=O)CC1 ZINC000075638788 386087773 /nfs/dbraw/zinc/08/77/73/386087773.db2.gz OALASZZHWHWBHI-SECBINFHSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@@H](CC(N)=O)NC/C=C\c1ccncc1 ZINC000336738514 386089676 /nfs/dbraw/zinc/08/96/76/386089676.db2.gz KGZAGVDTDGWJSR-ZMWSMAPVSA-N 0 3 219.288 0.948 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)Nc2cncnc2)C1 ZINC000274346394 386090858 /nfs/dbraw/zinc/09/08/58/386090858.db2.gz MCGBEGLYKIPFHR-SNVBAGLBSA-N 0 3 235.291 0.644 20 0 BCADHN CCOC[C@@H](N[C@@H]1CCN(C)C1=O)C(C)C ZINC000189815647 386091610 /nfs/dbraw/zinc/09/16/10/386091610.db2.gz CSPYYHJDFUJWTN-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN CNCC(=O)Nc1nncn1Cc1ccccc1 ZINC000237289512 259682220 /nfs/dbraw/zinc/68/22/20/259682220.db2.gz DZOGGQQBPUZSOL-UHFFFAOYSA-N 0 3 245.286 0.484 20 0 BCADHN COC(=O)CCCN1CC[C@@]2(CNC(=O)C2)C1 ZINC000366118869 386093760 /nfs/dbraw/zinc/09/37/60/386093760.db2.gz AUSIRMCXNMVHOH-GFCCVEGCSA-N 0 3 240.303 0.152 20 0 BCADHN C[C@H](Cn1cccn1)NC[C@H](O)c1cccnc1 ZINC000274389637 386095797 /nfs/dbraw/zinc/09/57/97/386095797.db2.gz CSSGSBUUAXTEBG-YPMHNXCESA-N 0 3 246.314 0.990 20 0 BCADHN CO[C@H](C)CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000223721675 386095619 /nfs/dbraw/zinc/09/56/19/386095619.db2.gz AZSCCEOJOICSHQ-PWSUYJOCSA-N 0 3 236.315 0.708 20 0 BCADHN CN(C(=O)CNC1CC1)[C@@H]1CN2CCC1CC2 ZINC000310093913 386096652 /nfs/dbraw/zinc/09/66/52/386096652.db2.gz KOQSBVJDSRJAQW-GFCCVEGCSA-N 0 3 237.347 0.291 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCC(=O)OC(C)C ZINC000353498881 386096917 /nfs/dbraw/zinc/09/69/17/386096917.db2.gz CVUCZQBSGHJMNI-LBPRGKRZSA-N 0 3 244.335 0.962 20 0 BCADHN CC(=O)c1ccccc1C(=O)N[C@H](C)CN ZINC000274389590 386097005 /nfs/dbraw/zinc/09/70/05/386097005.db2.gz CRUVNYGGRBOICC-MRVPVSSYSA-N 0 3 220.272 0.966 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@@H]1CCCCN1 ZINC000223750845 386098056 /nfs/dbraw/zinc/09/80/56/386098056.db2.gz RINNWUUPHXYLAC-IUCAKERBSA-N 0 3 200.282 0.280 20 0 BCADHN C[C@H](O)CCN1CCN(C)[C@H](C)[C@H]1C ZINC000425457281 386098301 /nfs/dbraw/zinc/09/83/01/386098301.db2.gz KSWFOEOKAXNFGY-HBNTYKKESA-N 0 3 200.326 0.782 20 0 BCADHN C[C@@H](O)CCN[C@@](C)(CO)c1cccc(O)c1 ZINC000425458260 386098541 /nfs/dbraw/zinc/09/85/41/386098541.db2.gz MKVHFDDEYZDNCE-MFKMUULPSA-N 0 3 239.315 0.960 20 0 BCADHN CC[C@H]1C[C@H](CNC2(C(N)=O)CC2)CCO1 ZINC000336729590 386147001 /nfs/dbraw/zinc/14/70/01/386147001.db2.gz HUDPNWYPPZWQKE-ZJUUUORDSA-N 0 3 226.320 0.799 20 0 BCADHN CCS(=O)(=O)Nc1ccnc(N(C)C)c1 ZINC000274763015 386147126 /nfs/dbraw/zinc/14/71/26/386147126.db2.gz RHLQIXAGWNTEIZ-UHFFFAOYSA-N 0 3 229.305 0.909 20 0 BCADHN C[C@H](O)CCN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000425478830 386148275 /nfs/dbraw/zinc/14/82/75/386148275.db2.gz NFBFRDXUOKLVHN-SRVKXCTJSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@H](N[C@H]1CCCNC(=O)C1)c1cnn(C)c1 ZINC000310169814 386150607 /nfs/dbraw/zinc/15/06/07/386150607.db2.gz OVCXEQJEYLBWPG-ONGXEEELSA-N 0 3 236.319 0.739 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)C1(O)CCCC1 ZINC000354075966 386150689 /nfs/dbraw/zinc/15/06/89/386150689.db2.gz QDEOAROZZJFDGC-UHFFFAOYSA-N 0 3 240.347 0.844 20 0 BCADHN CN1CCC[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000334476059 386153557 /nfs/dbraw/zinc/15/35/57/386153557.db2.gz OLNYYAOQUAVMJR-PWSUYJOCSA-N 0 3 237.347 0.434 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@H](O)C[C@@H]1C ZINC000308754413 386154522 /nfs/dbraw/zinc/15/45/22/386154522.db2.gz URLGUNOQMAHOMP-HBNTYKKESA-N 0 3 217.309 0.227 20 0 BCADHN C[C@H](N[C@@H]1CCCN(C)C1=O)[C@@H]1CCCO1 ZINC000336729876 386154788 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/nfs/dbraw/zinc/16/25/99/386162599.db2.gz DACVYYJYKFYCSU-LLVKDONJSA-N 0 3 240.347 0.892 20 0 BCADHN CN(C)C[C@@H]1CN(CC(N)=O)c2ccccc2O1 ZINC000366174913 386162914 /nfs/dbraw/zinc/16/29/14/386162914.db2.gz RNJFDPATYQBHND-SNVBAGLBSA-N 0 3 249.314 0.301 20 0 BCADHN Cc1cnccc1CC(=O)NCCN(C)C ZINC000274920873 386163189 /nfs/dbraw/zinc/16/31/89/386163189.db2.gz ATUNWBDOQIZWJN-UHFFFAOYSA-N 0 3 221.304 0.610 20 0 BCADHN CS[C@@H]1CN(Cc2cc[nH]n2)C[C@H]1N(C)C ZINC000296324112 386164329 /nfs/dbraw/zinc/16/43/29/386164329.db2.gz OOILUTFTLGYMCK-GHMZBOCLSA-N 0 3 240.376 0.887 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000346139736 386165475 /nfs/dbraw/zinc/16/54/75/386165475.db2.gz OMTCGVZTZUKKIL-PWSUYJOCSA-N 0 3 239.363 0.680 20 0 BCADHN C[C@H](CN(C)C)NC(=O)COCC1CC1 ZINC000346141721 386165820 /nfs/dbraw/zinc/16/58/20/386165820.db2.gz RDOJSJQFTGZFAD-SECBINFHSA-N 0 3 214.309 0.479 20 0 BCADHN CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000334478940 386166575 /nfs/dbraw/zinc/16/65/75/386166575.db2.gz SDODSGPAAWZLSK-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN C[C@H](O)CCN1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000425487581 386166978 /nfs/dbraw/zinc/16/69/78/386166978.db2.gz VQHULIPRRDXICJ-QJPTWQEYSA-N 0 3 229.320 0.637 20 0 BCADHN CNC(=O)NC1CCN(CC[C@H](C)O)CC1 ZINC000425484913 386167095 /nfs/dbraw/zinc/16/70/95/386167095.db2.gz WHUPYUJGIFJCBY-VIFPVBQESA-N 0 3 229.324 0.151 20 0 BCADHN C[C@H](CN(C)C)NC(=O)CCc1cnccn1 ZINC000346151671 386167898 /nfs/dbraw/zinc/16/78/98/386167898.db2.gz ZIEOWPFQQHQJHX-SNVBAGLBSA-N 0 3 236.319 0.476 20 0 BCADHN CCC[C@H](N)c1cn(Cc2n[nH]c(C)n2)nn1 ZINC000310246868 386168484 /nfs/dbraw/zinc/16/84/84/386168484.db2.gz NBXLWKMIFMEKHB-QMMMGPOBSA-N 0 3 235.295 0.553 20 0 BCADHN CN(C)CCNC(=O)CC1(O)CCCC1 ZINC000130506820 386168467 /nfs/dbraw/zinc/16/84/67/386168467.db2.gz KRFBRIYFSVOUTC-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C[C@H]1CCCO1 ZINC000346155605 386168624 /nfs/dbraw/zinc/16/86/24/386168624.db2.gz ASPVSLOKKOAEDT-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C[C@@H]1CCCO1 ZINC000346155602 386168650 /nfs/dbraw/zinc/16/86/50/386168650.db2.gz ASPVSLOKKOAEDT-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CCC[C@@](C)(O)C(=O)N[C@H](C)CN(C)C ZINC000346156363 386169167 /nfs/dbraw/zinc/16/91/67/386169167.db2.gz JWCMVHALGMLZLU-MWLCHTKSSA-N 0 3 216.325 0.604 20 0 BCADHN CCO[C@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000346160982 386171431 /nfs/dbraw/zinc/17/14/31/386171431.db2.gz FHXXBELARQRVRK-DTWKUNHWSA-N 0 3 202.298 0.478 20 0 BCADHN C[C@H](CN(C)C)NC(=O)CC[C@@H]1CCOC1 ZINC000346165846 386171660 /nfs/dbraw/zinc/17/16/60/386171660.db2.gz RHYLDWLUGIVWFW-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN COC(=O)C[C@H](C)C(=O)N[C@H](C)CN(C)C ZINC000346157352 386172128 /nfs/dbraw/zinc/17/21/28/386172128.db2.gz KIPDNIHSINLHPB-DTWKUNHWSA-N 0 3 230.308 0.252 20 0 BCADHN CCOC[C@H](O)CN1C[C@@H](C)N(CC)C[C@H]1C ZINC000346168490 386173040 /nfs/dbraw/zinc/17/30/40/386173040.db2.gz PXMKWVWDVYADOK-JHJVBQTASA-N 0 3 244.379 0.798 20 0 BCADHN CCN(C)CCNC(=O)NCCC[C@H](C)CO ZINC000340270125 386173022 /nfs/dbraw/zinc/17/30/22/386173022.db2.gz AUCFOUDFATUSIR-NSHDSACASA-N 0 3 245.367 0.646 20 0 BCADHN CCC[C@H](N)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000336754072 386174805 /nfs/dbraw/zinc/17/48/05/386174805.db2.gz WSPZONLSPASNBE-AEJSXWLSSA-N 0 3 213.325 0.323 20 0 BCADHN COC[C@H](O)CN1CCN(C)C[C@@H]1C(C)C ZINC000425484082 386176065 /nfs/dbraw/zinc/17/60/65/386176065.db2.gz RXIGLDLIUWUMGD-VXGBXAGGSA-N 0 3 230.352 0.266 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCSC1 ZINC000346234965 386178632 /nfs/dbraw/zinc/17/86/32/386178632.db2.gz XALGZHOJGMIAPI-DTWKUNHWSA-N 0 3 216.350 0.806 20 0 BCADHN CCN(CC(=O)N[C@@H](C)CN(C)C)C1CC1 ZINC000346238000 386178812 /nfs/dbraw/zinc/17/88/12/386178812.db2.gz ZJYFDDFYTANHRQ-JTQLQIEISA-N 0 3 227.352 0.537 20 0 BCADHN COC[C@H](C)N1CCC[C@@H](n2ccnn2)C1 ZINC000425499715 386181682 /nfs/dbraw/zinc/18/16/82/386181682.db2.gz JSQXXUHVAUPRPQ-WDEREUQCSA-N 0 3 224.308 0.950 20 0 BCADHN CCC[C@@H]1C(=O)NCCN1C[C@@H]1CCOC1 ZINC000346198612 386183944 /nfs/dbraw/zinc/18/39/44/386183944.db2.gz UYWPFHAYYGVWQS-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1CC[C@@H](O)C1 ZINC000346202364 386184936 /nfs/dbraw/zinc/18/49/36/386184936.db2.gz UHNSTQGWMQEETK-KXUCPTDWSA-N 0 3 214.309 0.214 20 0 BCADHN CO[C@H](C)[C@@H](C)NC[C@@H](O)c1cnn(C)c1 ZINC000224162326 386126458 /nfs/dbraw/zinc/12/64/58/386126458.db2.gz FCUQQCCORDNLEB-FXPVBKGRSA-N 0 3 227.308 0.467 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000261558901 386126725 /nfs/dbraw/zinc/12/67/25/386126725.db2.gz YPSHHRIFCNKJQR-OPRDCNLKSA-N 0 3 212.293 0.280 20 0 BCADHN CC(C)(O)CCN1CCc2n[nH]c(=O)cc2C1 ZINC000408337148 386127997 /nfs/dbraw/zinc/12/79/97/386127997.db2.gz DVXDQCVBAUJSAU-UHFFFAOYSA-N 0 3 237.303 0.701 20 0 BCADHN CC[C@H](C)CS(=O)(=O)N[C@H]1CNCC[C@@H]1C ZINC000440842847 386189046 /nfs/dbraw/zinc/18/90/46/386189046.db2.gz LMRAVANHMGYTDI-DCAQKATOSA-N 0 3 248.392 0.950 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)c2ccc[nH]2)C1 ZINC000296058277 386130279 /nfs/dbraw/zinc/13/02/79/386130279.db2.gz BTQQCUUDMNZWMY-SNVBAGLBSA-N 0 3 249.314 0.750 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2csnn2)C1 ZINC000525805550 386131906 /nfs/dbraw/zinc/13/19/06/386131906.db2.gz QCVGRWVXWHDJQM-QMMMGPOBSA-N 0 3 240.332 0.610 20 0 BCADHN CC(C)OCC(=O)NCCN1CC[C@H](C)C1 ZINC000525805606 386132289 /nfs/dbraw/zinc/13/22/89/386132289.db2.gz UPXOKHAZFPQIHM-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CN1CCC(NC(=O)c2ccnc(CN)c2)CC1 ZINC000129974432 386133577 /nfs/dbraw/zinc/13/35/77/386133577.db2.gz ZVEXWHKXNIYGJC-UHFFFAOYSA-N 0 3 248.330 0.364 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1CCCN1C)C(=O)OC ZINC000338766766 386135121 /nfs/dbraw/zinc/13/51/21/386135121.db2.gz PYALMXNFKMIMFK-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1c[nH]nc1C ZINC000345865251 386135605 /nfs/dbraw/zinc/13/56/05/386135605.db2.gz ZLHQSPOQOHZUBK-MNOVXSKESA-N 0 3 236.319 0.722 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccn(C)c(=O)c1 ZINC000235104409 386135583 /nfs/dbraw/zinc/13/55/83/386135583.db2.gz SNRCNZJLPXNUIF-VIFPVBQESA-N 0 3 237.303 0.065 20 0 BCADHN C[C@H]1CN(c2cncc3nncn32)C[C@H](C)N1C ZINC000338781939 386138860 /nfs/dbraw/zinc/13/88/60/386138860.db2.gz BHFBCPGMQUKVBV-UWVGGRQHSA-N 0 3 246.318 0.653 20 0 BCADHN CC1(C)OCC[C@@H]1NCc1ccc(C(N)=O)nc1 ZINC000340259378 386139113 /nfs/dbraw/zinc/13/91/13/386139113.db2.gz MQPUIDLJALADSB-NSHDSACASA-N 0 3 249.314 0.838 20 0 BCADHN CS[C@@H](C)CNC(=O)C(C)S(C)(=O)=O ZINC000131412559 386206187 /nfs/dbraw/zinc/20/61/87/386206187.db2.gz BVXSSVIIGBQRAV-NKWVEPMBSA-N 0 3 239.362 0.287 20 0 BCADHN C[C@@H](CC[NH+](C)C)[N-]S(=O)(=O)c1ccco1 ZINC000275503566 386216354 /nfs/dbraw/zinc/21/63/54/386216354.db2.gz RMFFGOOTCXOIJA-VIFPVBQESA-N 0 3 246.332 0.898 20 0 BCADHN C[C@H](CC[NH+](C)C)[N-]S(=O)(=O)c1ccco1 ZINC000275503564 386216544 /nfs/dbraw/zinc/21/65/44/386216544.db2.gz RMFFGOOTCXOIJA-SECBINFHSA-N 0 3 246.332 0.898 20 0 BCADHN CCC[C@H]([NH3+])C(=O)Nc1ncccc1[O-] ZINC000125057814 386217236 /nfs/dbraw/zinc/21/72/36/386217236.db2.gz YSDAFRPMDNBFKQ-ZETCQYMHSA-N 0 3 209.249 0.853 20 0 BCADHN C[C@H](O)C1CCN(CCn2cccn2)CC1 ZINC000225792536 386217326 /nfs/dbraw/zinc/21/73/26/386217326.db2.gz VVNJEBZWKFUALP-NSHDSACASA-N 0 3 223.320 0.976 20 0 BCADHN O=S(=O)(C1CC1)N1CCCN2CCC[C@@H]2C1 ZINC000365613284 386218158 /nfs/dbraw/zinc/21/81/58/386218158.db2.gz WQCHZEPHVQACTL-SNVBAGLBSA-N 0 3 244.360 0.649 20 0 BCADHN CC1(C)CN(CCn2ccnc2)CC[C@H]1O ZINC000275522396 386220484 /nfs/dbraw/zinc/22/04/84/386220484.db2.gz VPQCWOGCSLXGFN-LLVKDONJSA-N 0 3 223.320 0.976 20 0 BCADHN CCN(CC)CC(=O)NCc1nccn1C ZINC000264353527 386229362 /nfs/dbraw/zinc/22/93/62/386229362.db2.gz XIZTUNYVDDKGHR-UHFFFAOYSA-N 0 3 224.308 0.378 20 0 BCADHN CC[C@H](O)CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000339061392 386229591 /nfs/dbraw/zinc/22/95/91/386229591.db2.gz JGKYPQOLWTZUED-VWYCJHECSA-N 0 3 200.326 0.782 20 0 BCADHN COC1(CCN(C)[C@@H]2CCNC2=O)CCC1 ZINC000339058998 386230007 /nfs/dbraw/zinc/23/00/07/386230007.db2.gz MTCYMLXMXRDYCO-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000638630537 386234357 /nfs/dbraw/zinc/23/43/57/386234357.db2.gz RXRURAQBSMKFLA-WDCWCFNPSA-N 0 3 228.336 0.913 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC000264411423 386234604 /nfs/dbraw/zinc/23/46/04/386234604.db2.gz LNLWQTIVJPUENE-GFCCVEGCSA-N 0 3 249.314 0.486 20 0 BCADHN CCc1n[nH]cc1C(=O)NCCN(C)CC ZINC000264415829 386234853 /nfs/dbraw/zinc/23/48/53/386234853.db2.gz MPXSOQXGVLVGMJ-UHFFFAOYSA-N 0 3 224.308 0.654 20 0 BCADHN CC(C)NCC(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000638630538 386236135 /nfs/dbraw/zinc/23/61/35/386236135.db2.gz RXRURAQBSMKFLA-WYFGTUCQSA-N 0 3 228.336 0.913 20 0 BCADHN C[C@@H](C(=O)N1C[C@@H](C)NC[C@@H]1C)n1cccn1 ZINC000226118923 386238490 /nfs/dbraw/zinc/23/84/90/386238490.db2.gz NPNVZLOSJFXGKQ-VWYCJHECSA-N 0 3 236.319 0.653 20 0 BCADHN CC(C)[C@H]1CN(CCn2cncn2)CCN1C ZINC000347132598 386238993 /nfs/dbraw/zinc/23/89/93/386238993.db2.gz PVCYJINMGHQERF-GFCCVEGCSA-N 0 3 237.351 0.550 20 0 BCADHN C[C@@H](CNC(=O)Cc1cncs1)N(C)C ZINC000275766984 386239422 /nfs/dbraw/zinc/23/94/22/386239422.db2.gz VPIASOLDFIWYKG-QMMMGPOBSA-N 0 3 227.333 0.752 20 0 BCADHN CCN(CCOC)CCc1cncn1C ZINC000297289133 386239512 /nfs/dbraw/zinc/23/95/12/386239512.db2.gz APYNVFIEOAFOFQ-UHFFFAOYSA-N 0 3 211.309 0.931 20 0 BCADHN COC[C@@H](NC(=O)[C@H](N)C(C)(C)C)C1CC1 ZINC000125356437 386239659 /nfs/dbraw/zinc/23/96/59/386239659.db2.gz XUGWLIMHSOOCFO-ZJUUUORDSA-N 0 3 228.336 0.901 20 0 BCADHN CC(C)C[C@@H](CNCc1ncnn1C)N(C)C ZINC000638349791 386239697 /nfs/dbraw/zinc/23/96/97/386239697.db2.gz VRTQIAAMRHPNIH-NSHDSACASA-N 0 3 239.367 0.881 20 0 BCADHN CCS(=O)(=O)NCCN1C[C@@H](C)C[C@@H]1C ZINC000336649099 386260681 /nfs/dbraw/zinc/26/06/81/386260681.db2.gz QIAQQQINGREFFG-UWVGGRQHSA-N 0 3 234.365 0.656 20 0 BCADHN C[C@H](C(=O)N1C[C@H](N)Cc2ccccc21)N(C)C ZINC000638350041 386241743 /nfs/dbraw/zinc/24/17/43/386241743.db2.gz AOMFORJLYMQGCR-ZYHUDNBSSA-N 0 3 247.342 0.853 20 0 BCADHN CO[C@H]1C[C@@H](NC(=O)C2(N)CC2)C1(C)C ZINC000226379857 386244196 /nfs/dbraw/zinc/24/41/96/386244196.db2.gz KFCCBOFGKNUGNY-SFYZADRCSA-N 0 3 212.293 0.407 20 0 BCADHN CC[C@H](O)CN1CC[C@H](NC(=O)NC2CC2)C1 ZINC000339095901 386244504 /nfs/dbraw/zinc/24/45/04/386244504.db2.gz PGQWMLSWZJHBLY-QWRGUYRKSA-N 0 3 241.335 0.293 20 0 BCADHN CN(C)C1(CNC(=O)c2cncnc2)CCC1 ZINC000275864794 386247315 /nfs/dbraw/zinc/24/73/15/386247315.db2.gz JIZDQYGODGLSHH-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN C[C@H](O)CN1CCSC[C@H]1CCO ZINC000336643171 386248110 /nfs/dbraw/zinc/24/81/10/386248110.db2.gz FPWIICQLYUZFIC-DTWKUNHWSA-N 0 3 205.323 0.167 20 0 BCADHN O=C(NC[C@@H]1CC12CC2)[C@@H]1CN2CCN1CCC2 ZINC000416262858 386249988 /nfs/dbraw/zinc/24/99/88/386249988.db2.gz XDFGXPOWEMWFOJ-RYUDHWBXSA-N 0 3 249.358 0.293 20 0 BCADHN Cc1cnn(C)c1CN1CCCN(C)CC1 ZINC000288987838 386250070 /nfs/dbraw/zinc/25/00/70/386250070.db2.gz CWCFCJCLAMLMLM-UHFFFAOYSA-N 0 3 222.336 0.866 20 0 BCADHN CO[C@@H]1CN(CCOC2CCC2)C[C@@H]1OC ZINC000347139340 386257250 /nfs/dbraw/zinc/25/72/50/386257250.db2.gz YFWJCFAOHLRNTB-TXEJJXNPSA-N 0 3 229.320 0.901 20 0 BCADHN Cc1cnn(C)c1CN1CCC[C@H](C(N)=O)C1 ZINC000289069265 386257505 /nfs/dbraw/zinc/25/75/05/386257505.db2.gz JRKAVIMQGIGXKV-JTQLQIEISA-N 0 3 236.319 0.426 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1ccnn1C ZINC000263912727 386191699 /nfs/dbraw/zinc/19/16/99/386191699.db2.gz KHUSKHVFIHMBDW-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN Cc1ccncc1CNC[C@]1(O)CCOC1 ZINC000235815755 386192653 /nfs/dbraw/zinc/19/26/53/386192653.db2.gz HTXASPJEBPOIOD-GFCCVEGCSA-N 0 3 222.288 0.631 20 0 BCADHN CC[C@@H](C(=O)NCC[C@H](C)OC)N(C)C ZINC000338970832 386192767 /nfs/dbraw/zinc/19/27/67/386192767.db2.gz ZKPVTWRSINXEIU-UWVGGRQHSA-N 0 3 216.325 0.868 20 0 BCADHN CC(C)[C@@H](O)CN1CCC[C@H]1C(=O)NC1CC1 ZINC000340283125 386196171 /nfs/dbraw/zinc/19/61/71/386196171.db2.gz FSPKHQIVKQSJHA-RYUDHWBXSA-N 0 3 240.347 0.746 20 0 BCADHN CCCCN(CC(N)=O)C[C@H](O)C(C)C ZINC000340280196 386196546 /nfs/dbraw/zinc/19/65/46/386196546.db2.gz QTONFBRFSJXEGD-JTQLQIEISA-N 0 3 216.325 0.591 20 0 BCADHN CC(C(=O)N1C[C@@H](C)[C@@H](C)[C@@H]1C)S(C)(=O)=O ZINC000416081880 386196817 /nfs/dbraw/zinc/19/68/17/386196817.db2.gz WSTPZLNZKHYGTF-IMSYWVGJSA-N 0 3 247.360 0.922 20 0 BCADHN CC(C(=O)N1C[C@@H](C)[C@H](C)[C@@H]1C)S(C)(=O)=O ZINC000416081882 386197115 /nfs/dbraw/zinc/19/71/15/386197115.db2.gz WSTPZLNZKHYGTF-KATARQTJSA-N 0 3 247.360 0.922 20 0 BCADHN CN1CC=C(CNC(=O)c2ccncn2)CC1 ZINC000275293616 386199767 /nfs/dbraw/zinc/19/97/67/386199767.db2.gz GVCXUSMDIMMXKC-UHFFFAOYSA-N 0 3 232.287 0.468 20 0 BCADHN C[C@@H]1C[C@@H](C)[C@H](C)N(CCNS(C)(=O)=O)C1 ZINC000336662288 386283010 /nfs/dbraw/zinc/28/30/10/386283010.db2.gz JHESIIJPRBEIJY-MXWKQRLJSA-N 0 3 248.392 0.902 20 0 BCADHN Cc1ccc(C(=O)NCCN(C)C)nc1C ZINC000297890633 386283359 /nfs/dbraw/zinc/28/33/59/386283359.db2.gz OCJPSTPUQLKMNV-UHFFFAOYSA-N 0 3 221.304 0.990 20 0 BCADHN CN(C[C@@H]1CCC[C@H]1O)C(=O)[C@H]1CCCN1C ZINC000339191631 386283741 /nfs/dbraw/zinc/28/37/41/386283741.db2.gz WDNWDBFPHUKDOY-QJPTWQEYSA-N 0 3 240.347 0.700 20 0 BCADHN CO[C@]1(C)CCCN(C[C@@H]2COCCO2)C1 ZINC000336663926 386284607 /nfs/dbraw/zinc/28/46/07/386284607.db2.gz XXJHXFVRSHGFTA-VXGBXAGGSA-N 0 3 229.320 0.903 20 0 BCADHN CSCC[C@@H](N)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000133248444 386286873 /nfs/dbraw/zinc/28/68/73/386286873.db2.gz HQYGPUWMVVIVGL-KXUCPTDWSA-N 0 3 246.376 0.703 20 0 BCADHN C[C@H](O)CN1CC[C@H](Oc2ccncc2)C1 ZINC000336664251 386287131 /nfs/dbraw/zinc/28/71/31/386287131.db2.gz ZWDCIQSSWUQVPF-JQWIXIFHSA-N 0 3 222.288 0.916 20 0 BCADHN C[C@@H](O)CN1CC[C@H](Oc2ccncc2)C1 ZINC000336664252 386287516 /nfs/dbraw/zinc/28/75/16/386287516.db2.gz ZWDCIQSSWUQVPF-PWSUYJOCSA-N 0 3 222.288 0.916 20 0 BCADHN COC(=O)[C@H]1CCN(CCn2cncn2)[C@H]1C ZINC000347223086 386288882 /nfs/dbraw/zinc/28/88/82/386288882.db2.gz KCMMKLKHESBVCJ-UWVGGRQHSA-N 0 3 238.291 0.162 20 0 BCADHN CN(C[C@H](O)C(C)(C)C)CC(C)(CO)CO ZINC000336665970 386290326 /nfs/dbraw/zinc/29/03/26/386290326.db2.gz KLWQEEXBPGAHCA-JTQLQIEISA-N 0 3 233.352 0.316 20 0 BCADHN Cc1cncc(CN(C[C@@H](C)O)[C@@H](C)CO)c1 ZINC000276238606 386290358 /nfs/dbraw/zinc/29/03/58/386290358.db2.gz UKWYGSHWVGWVLA-NWDGAFQWSA-N 0 3 238.331 0.954 20 0 BCADHN CCOCCN1CCC[C@@H](n2ccnn2)C1 ZINC000425514692 386291126 /nfs/dbraw/zinc/29/11/26/386291126.db2.gz QCBMQCSRIVXYRL-LLVKDONJSA-N 0 3 224.308 0.952 20 0 BCADHN CN(Cc1ccccn1)C(=O)C[C@@H]1CNCCO1 ZINC000091299454 386294486 /nfs/dbraw/zinc/29/44/86/386294486.db2.gz NXUGCHVEFWQXQR-GFCCVEGCSA-N 0 3 249.314 0.419 20 0 BCADHN COC1(CCN(C)[C@H]2COC[C@H]2O)CCC1 ZINC000339193113 386295137 /nfs/dbraw/zinc/29/51/37/386295137.db2.gz RCQWPHJGAJYCSW-WDEREUQCSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@H](O)CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000339192972 386295924 /nfs/dbraw/zinc/29/59/24/386295924.db2.gz ZZQHHKHFSHGTOY-CIUDSAMLSA-N 0 3 241.253 0.860 20 0 BCADHN CC(=O)c1cc(C(=O)N2CCC[C@H]2CN)n(C)c1 ZINC000236650434 386298023 /nfs/dbraw/zinc/29/80/23/386298023.db2.gz BVKMBWFCNKFZOJ-NSHDSACASA-N 0 3 249.314 0.791 20 0 BCADHN CN(C)CCNC(=O)c1snnc1C1CC1 ZINC000289423677 386302569 /nfs/dbraw/zinc/30/25/69/386302569.db2.gz WQUAQYZLWVUZSC-UHFFFAOYSA-N 0 3 240.332 0.707 20 0 BCADHN CC(C)(C)OCCN1CCC(NC(N)=O)CC1 ZINC000081540558 386303368 /nfs/dbraw/zinc/30/33/68/386303368.db2.gz KZRWOVPHXQISGF-UHFFFAOYSA-N 0 3 243.351 0.934 20 0 BCADHN CC[C@H](N)C(=O)NCc1cccnc1N(C)C ZINC000236916459 386324956 /nfs/dbraw/zinc/32/49/56/386324956.db2.gz QNVYPLWUEGPMNG-JTQLQIEISA-N 0 3 236.319 0.501 20 0 BCADHN C[C@H](O)CCN1CCSC[C@@H]1CCO ZINC000336673728 386306118 /nfs/dbraw/zinc/30/61/18/386306118.db2.gz PUXVUASLAHZHKO-UWVGGRQHSA-N 0 3 219.350 0.557 20 0 BCADHN COCCCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000416431412 386306915 /nfs/dbraw/zinc/30/69/15/386306915.db2.gz BAGSUYCDGBPUQT-ZJUUUORDSA-N 0 3 229.324 0.415 20 0 BCADHN COCCNC(=O)NC[C@@H](N)c1ccccc1 ZINC000416432798 386309214 /nfs/dbraw/zinc/30/92/14/386309214.db2.gz LXADQOAWOYYXTN-LLVKDONJSA-N 0 3 237.303 0.632 20 0 BCADHN COC(=O)[C@@H]1CCN(CCN2CCCC2=O)C1 ZINC000339222644 386309238 /nfs/dbraw/zinc/30/92/38/386309238.db2.gz BQFPOSNJAFKAPY-SNVBAGLBSA-N 0 3 240.303 0.104 20 0 BCADHN C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000408404516 386309737 /nfs/dbraw/zinc/30/97/37/386309737.db2.gz ZGONQIGPMMJCIO-VDDIYKPWSA-N 0 3 237.303 0.316 20 0 BCADHN C[C@@H]1C[C@H]1C[N@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000408404516 386309742 /nfs/dbraw/zinc/30/97/42/386309742.db2.gz ZGONQIGPMMJCIO-VDDIYKPWSA-N 0 3 237.303 0.316 20 0 BCADHN Cc1nocc1CNC[C@@H]1CN(C)CCN1C ZINC000339250879 386325064 /nfs/dbraw/zinc/32/50/64/386325064.db2.gz NMSJASCYNMEYPY-GFCCVEGCSA-N 0 3 238.335 0.318 20 0 BCADHN c1ncn(CCN2CCN(CC3CC3)CC2)n1 ZINC000336678500 386317557 /nfs/dbraw/zinc/31/75/57/386317557.db2.gz BOYUEANKQQRVKU-UHFFFAOYSA-N 0 3 235.335 0.306 20 0 BCADHN COCCCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000416442337 386318738 /nfs/dbraw/zinc/31/87/38/386318738.db2.gz XCMXLKBWLMLWKS-UWVGGRQHSA-N 0 3 229.324 0.415 20 0 BCADHN C[C@H](CNC(=O)[C@H](C)n1cccn1)N(C)C ZINC000298298345 386319696 /nfs/dbraw/zinc/31/96/96/386319696.db2.gz ASYPCCFOIVCVAU-ZJUUUORDSA-N 0 3 224.308 0.510 20 0 BCADHN CCc1nc(CN[C@H](C)Cn2cccn2)n[nH]1 ZINC000347283706 386320488 /nfs/dbraw/zinc/32/04/88/386320488.db2.gz KXLVYIOLRQRXQV-SECBINFHSA-N 0 3 234.307 0.742 20 0 BCADHN COCCNC(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000416445455 386320591 /nfs/dbraw/zinc/32/05/91/386320591.db2.gz LPBRPENCSGZZLM-RKDXNWHRSA-N 0 3 245.323 0.045 20 0 BCADHN COCCNC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000416445452 386320812 /nfs/dbraw/zinc/32/08/12/386320812.db2.gz LPBRPENCSGZZLM-BDAKNGLRSA-N 0 3 245.323 0.045 20 0 BCADHN CCCCCNC(=O)NC[C@H]1CNCCO1 ZINC000416445172 386321702 /nfs/dbraw/zinc/32/17/02/386321702.db2.gz KEBNGIAEEQKLBC-SNVBAGLBSA-N 0 3 229.324 0.464 20 0 BCADHN CO[C@H]1CN(CCn2cc(C)cn2)C[C@@H]1OC ZINC000336679573 386322266 /nfs/dbraw/zinc/32/22/66/386322266.db2.gz AWKVEBBXNOTRGR-RYUDHWBXSA-N 0 3 239.319 0.537 20 0 BCADHN COCCCCN(C)C(=O)[C@H]1CCCN1C ZINC000416336486 386261852 /nfs/dbraw/zinc/26/18/52/386261852.db2.gz AKZIMLRYUHHDID-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCN(CCO)CCNC(=O)NC[C@H]1C[C@@H]1C ZINC000347155376 386263739 /nfs/dbraw/zinc/26/37/39/386263739.db2.gz CSUFDPOHPUGIBE-WDEREUQCSA-N 0 3 243.351 0.256 20 0 BCADHN CN(C)C1(CNC(=O)C[C@@H]2CCCO2)CC1 ZINC000416297879 386263911 /nfs/dbraw/zinc/26/39/11/386263911.db2.gz BCOWEGPLDMYPHJ-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@H](O)CN(CCOC)[C@@H]1CCO[C@@H]1C ZINC000339132713 386264209 /nfs/dbraw/zinc/26/42/09/386264209.db2.gz KCXSJWZSNIXDJU-GRYCIOLGSA-N 0 3 231.336 0.883 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2CCCOC2)CC1 ZINC000416298244 386264872 /nfs/dbraw/zinc/26/48/72/386264872.db2.gz CHWGSKMOBWRIAP-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@H](O)CN1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000339143455 386265088 /nfs/dbraw/zinc/26/50/88/386265088.db2.gz DFXUZYCZDFPQKQ-SRVKXCTJSA-N 0 3 229.320 0.637 20 0 BCADHN CC[C@H](O)CN1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000339143457 386265162 /nfs/dbraw/zinc/26/51/62/386265162.db2.gz DFXUZYCZDFPQKQ-WOPDTQHZSA-N 0 3 229.320 0.637 20 0 BCADHN CCN(CCNS(=O)(=O)CC)C1CCC1 ZINC000336651501 386265726 /nfs/dbraw/zinc/26/57/26/386265726.db2.gz VJGFBVFEFILDRE-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN Cc1ncc(C(=O)NCC2(N(C)C)CC2)[nH]1 ZINC000416305155 386266337 /nfs/dbraw/zinc/26/63/37/386266337.db2.gz WMOBWZXLENXMDY-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN CN(C)C1(CNC(=O)c2n[nH]c3c2CCC3)CC1 ZINC000416303035 386267006 /nfs/dbraw/zinc/26/70/06/386267006.db2.gz QKQDOLNAUUJHOS-UHFFFAOYSA-N 0 3 248.330 0.722 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCc1nc(C)no1 ZINC000226329568 386266871 /nfs/dbraw/zinc/26/68/71/386266871.db2.gz YAZPSVGCTBFOTA-LLVKDONJSA-N 0 3 240.307 0.554 20 0 BCADHN C[C@H](O)CCCN(C)CCN1CCOCC1 ZINC000336651140 386266967 /nfs/dbraw/zinc/26/69/67/386266967.db2.gz HVWFCPDNGPTULK-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN CCN(C[C@H]1CCOC1)[C@@H]1CCNC1=O ZINC000336653398 386268777 /nfs/dbraw/zinc/26/87/77/386268777.db2.gz YJWCBMHOZGTEHW-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN CN(C)C1(CNC(=O)[C@@](C)(O)C2CCC2)CC1 ZINC000416308085 386269296 /nfs/dbraw/zinc/26/92/96/386269296.db2.gz OLQGPZUMQRRLIR-LBPRGKRZSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H]1OCC[C@H]1C(=O)NCC1(N(C)C)CC1 ZINC000416307738 386269788 /nfs/dbraw/zinc/26/97/88/386269788.db2.gz MGWFXDZGDSFCSS-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN COc1cc(C(=O)NCC2(N(C)C)CC2)on1 ZINC000416306988 386269910 /nfs/dbraw/zinc/26/99/10/386269910.db2.gz ITFWADIKMJLTQH-UHFFFAOYSA-N 0 3 239.275 0.507 20 0 BCADHN CO[C@@H](C(=O)NCC1(N(C)C)CC1)C(C)C ZINC000416309021 386271210 /nfs/dbraw/zinc/27/12/10/386271210.db2.gz UAGMQMPAEIFJHA-SNVBAGLBSA-N 0 3 228.336 0.868 20 0 BCADHN CCN(C)CCNC(=O)c1cn(C(C)C)nn1 ZINC000340308038 386271857 /nfs/dbraw/zinc/27/18/57/386271857.db2.gz UXNHOIJVHCSDNV-UHFFFAOYSA-N 0 3 239.323 0.541 20 0 BCADHN Cn1cccc1CN(CCO)C1CCOCC1 ZINC000276095342 386274065 /nfs/dbraw/zinc/27/40/65/386274065.db2.gz YKEYHVBBNYSVSJ-UHFFFAOYSA-N 0 3 238.331 0.998 20 0 BCADHN CCN(C)CCNC(=O)c1cc(F)c[nH]1 ZINC000340308255 386277418 /nfs/dbraw/zinc/27/74/18/386277418.db2.gz SIDCOUQXVFFNBB-UHFFFAOYSA-N 0 3 213.256 0.835 20 0 BCADHN NS(=O)(=O)[C@H]1CCN(CCC2CC2)C1 ZINC000336676102 386324099 /nfs/dbraw/zinc/32/40/99/386324099.db2.gz CCTZTTXJNCKMIS-VIFPVBQESA-N 0 3 218.322 0.149 20 0 BCADHN CO[C@@H]1CN(CCSC)C[C@H]1OC ZINC000336644716 386279812 /nfs/dbraw/zinc/27/98/12/386279812.db2.gz RDUSQWZVOMPXAS-RKDXNWHRSA-N 0 3 205.323 0.695 20 0 BCADHN COC[C@H]1CCN1C[C@H](O)CCOC(C)C ZINC000339280998 386340193 /nfs/dbraw/zinc/34/01/93/386340193.db2.gz IEMPVKVFRWIBJV-VXGBXAGGSA-N 0 3 231.336 0.883 20 0 BCADHN COC[C@@H]1CCN1C[C@H](O)CN(C)C1CC1 ZINC000339290050 386341230 /nfs/dbraw/zinc/34/12/30/386341230.db2.gz HSVKYEVIHCUWRB-NWDGAFQWSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@@H](Cn1cccn1)NCc1cc(=O)c(O)co1 ZINC000265481029 386342668 /nfs/dbraw/zinc/34/26/68/386342668.db2.gz HLOXIMWETRCQQF-VIFPVBQESA-N 0 3 249.270 0.720 20 0 BCADHN CCOCC[C@@H](O)CN1CC[C@H]1COC ZINC000339288411 386343945 /nfs/dbraw/zinc/34/39/45/386343945.db2.gz VXSHPZDJVPNZFJ-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN CC(C)(CN)c1nc(-c2cnccn2)no1 ZINC000133752179 386344539 /nfs/dbraw/zinc/34/45/39/386344539.db2.gz BECPVSKMOAIRAK-UHFFFAOYSA-N 0 3 219.248 0.763 20 0 BCADHN c1cnnc(N2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000336687553 386346434 /nfs/dbraw/zinc/34/64/34/386346434.db2.gz AUDWIIRKHYMEAE-LBPRGKRZSA-N 0 3 248.330 0.635 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@H]([C@H]2CCOC2)C1 ZINC000336687153 386348035 /nfs/dbraw/zinc/34/80/35/386348035.db2.gz GLXYBEDWIXEAJX-SRVKXCTJSA-N 0 3 238.331 0.623 20 0 BCADHN CC(C)CCOCCN1[C@H](CO)CC[C@H]1CO ZINC000347306079 386348713 /nfs/dbraw/zinc/34/87/13/386348713.db2.gz AMYSZPUMIQWUTK-STQMWFEESA-N 0 3 245.363 0.867 20 0 BCADHN CO[C@@H](C)CN1CC[C@@H](N2CCCC2=O)C1 ZINC000336689601 386353287 /nfs/dbraw/zinc/35/32/87/386353287.db2.gz ZNWRIPFTVYEUQQ-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN COC(C)(C)CCN1C[C@@H]2[C@H](C1)OCCN2C ZINC000336699591 386386619 /nfs/dbraw/zinc/38/66/19/386386619.db2.gz XVPHEACYXAWHEN-NEPJUHHUSA-N 0 3 242.363 0.816 20 0 BCADHN Cc1cnn(C)c1CN(C)CCN(C)C ZINC000289784615 386354289 /nfs/dbraw/zinc/35/42/89/386354289.db2.gz LLLBCAWASYNPOE-UHFFFAOYSA-N 0 3 210.325 0.722 20 0 BCADHN CO[C@@H]1CCN(CCc2ccnn2C)C1 ZINC000336689284 386355335 /nfs/dbraw/zinc/35/53/35/386355335.db2.gz AWGOGCGQVBHQLU-LLVKDONJSA-N 0 3 209.293 0.683 20 0 BCADHN COCC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347316753 386355835 /nfs/dbraw/zinc/35/58/35/386355835.db2.gz MDCYJWBPZLATEY-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCC(=O)NCC(F)(F)F ZINC000164894167 386356857 /nfs/dbraw/zinc/35/68/57/386356857.db2.gz NNWUUNBNEAPLMP-NKWVEPMBSA-N 0 3 242.241 0.271 20 0 BCADHN Cc1n[nH]cc1CNC(=O)/C=C/CN(C)C ZINC000265655104 386357907 /nfs/dbraw/zinc/35/79/07/386357907.db2.gz PKLLHEGXCBUTHG-SNAWJCMRSA-N 0 3 222.292 0.452 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1ccc(F)cn1 ZINC000335278902 386358494 /nfs/dbraw/zinc/35/84/94/386358494.db2.gz AMOCZCYNTIWTRY-DTWKUNHWSA-N 0 3 209.224 0.184 20 0 BCADHN COc1cc(CCNC(=O)CN)ccc1C ZINC000237125959 386359559 /nfs/dbraw/zinc/35/95/59/386359559.db2.gz DJEMSIIUMIUWFU-UHFFFAOYSA-N 0 3 222.288 0.621 20 0 BCADHN C[C@@H](NC(=O)[C@]1(F)CCNC1)c1ccncc1 ZINC000366332520 386360061 /nfs/dbraw/zinc/36/00/61/386360061.db2.gz ZFXCTXSRBBJHBX-SKDRFNHKSA-N 0 3 237.278 0.960 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@@H]1CCCOC1 ZINC000265694717 386360355 /nfs/dbraw/zinc/36/03/55/386360355.db2.gz ZQXWISOJRVZOHR-GQOHGMTASA-N 0 3 226.320 0.647 20 0 BCADHN CSC[C@@](C)(O)CNC(=O)/C=C/CN(C)C ZINC000265676877 386360613 /nfs/dbraw/zinc/36/06/13/386360613.db2.gz CQTBRVDHCMVIPG-QRGHLMKCSA-N 0 3 246.376 0.334 20 0 BCADHN CN(CCC(N)=O)CC[C@H](O)c1ccccc1 ZINC000298593338 386364065 /nfs/dbraw/zinc/36/40/65/386364065.db2.gz RXHVWONACZXCQI-LBPRGKRZSA-N 0 3 236.315 0.917 20 0 BCADHN CO[C@@H]1CN(CCc2ccnn2C)C[C@H]1OC ZINC000336692805 386365024 /nfs/dbraw/zinc/36/50/24/386365024.db2.gz JAXMUQNGOPCRJP-VXGBXAGGSA-N 0 3 239.319 0.308 20 0 BCADHN CO[C@H](C)[C@@H](C)NC(=O)C1CCN(C)CC1 ZINC000347363126 386365889 /nfs/dbraw/zinc/36/58/89/386365889.db2.gz ASNTVIJLMMMNFI-NXEZZACHSA-N 0 3 228.336 0.868 20 0 BCADHN COC[C@@H](O)CN1CC[C@@H](n2cc(C)cn2)C1 ZINC000289899377 386369288 /nfs/dbraw/zinc/36/92/88/386369288.db2.gz NJYLZAXMHIJZSL-NEPJUHHUSA-N 0 3 239.319 0.446 20 0 BCADHN CC(C)C[C@@H]1C(=O)NCCCN1CC(C)(C)O ZINC000331973369 386369568 /nfs/dbraw/zinc/36/95/68/386369568.db2.gz LRFFFMFDVNUBFY-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1ccc2ncc(CNC[C@@H](O)CO)n2c1 ZINC000276751567 386372048 /nfs/dbraw/zinc/37/20/48/386372048.db2.gz LTPSPPZRUKLRAE-LLVKDONJSA-N 0 3 235.287 0.086 20 0 BCADHN O=C1CO[C@@H]2CCN([C@@H]3C=CCCC3)C[C@H]2N1 ZINC000366808830 386372438 /nfs/dbraw/zinc/37/24/38/386372438.db2.gz OFUBJGLLLMQVMG-IJLUTSLNSA-N 0 3 236.315 0.684 20 0 BCADHN O=C1CO[C@@H]2CCN([C@@H]3C=CCCC3)C[C@@H]2N1 ZINC000366808828 386372542 /nfs/dbraw/zinc/37/25/42/386372542.db2.gz OFUBJGLLLMQVMG-GRYCIOLGSA-N 0 3 236.315 0.684 20 0 BCADHN COC[C@@H]1CCN(Cc2cnn(C)c2)C1 ZINC000265803978 386374035 /nfs/dbraw/zinc/37/40/35/386374035.db2.gz ONGFABHQRQSMMF-SNVBAGLBSA-N 0 3 209.293 0.888 20 0 BCADHN C[C@@H](CN(C)C)NCc1cnc(N(C)C)nc1 ZINC000289933669 386375009 /nfs/dbraw/zinc/37/50/09/386375009.db2.gz AQQKXXKQCIUKOY-JTQLQIEISA-N 0 3 237.351 0.582 20 0 BCADHN C[C@H](CNC(=O)CN)N1CCc2ccccc21 ZINC000237402656 386375205 /nfs/dbraw/zinc/37/52/05/386375205.db2.gz FPVPVSFXASMPQS-SNVBAGLBSA-N 0 3 233.315 0.513 20 0 BCADHN CN(C[C@@H](O)Cn1cccn1)C[C@H]1CCCO1 ZINC000298723033 386376414 /nfs/dbraw/zinc/37/64/14/386376414.db2.gz LFKCTGFZLBKBPZ-VXGBXAGGSA-N 0 3 239.319 0.355 20 0 BCADHN C[C@@H](NC(=O)[C@]1(F)CCNC1)C1CCOCC1 ZINC000366343638 386380018 /nfs/dbraw/zinc/38/00/18/386380018.db2.gz BNAKAZKBCZGXLP-SKDRFNHKSA-N 0 3 244.310 0.619 20 0 BCADHN CO[C@H]1CCN(CCN2CCOCC2)[C@H](C)C1 ZINC000336698380 386380401 /nfs/dbraw/zinc/38/04/01/386380401.db2.gz WJINOJXLGLVEIV-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN CCN(C[C@H]1CCCO1)C(=O)CNCCOC ZINC000092509667 386383252 /nfs/dbraw/zinc/38/32/52/386383252.db2.gz ZPHBNYFTZFISFJ-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN CO[C@@H]1CN(CCn2ccnc2)C[C@@H]1OC ZINC000276853959 386384414 /nfs/dbraw/zinc/38/44/14/386384414.db2.gz JJBBQEMXFMOVHI-PHIMTYICSA-N 0 3 225.292 0.229 20 0 BCADHN CCN(C[C@@H]1CCCO1)C[C@@H]1COCCO1 ZINC000336698544 386385309 /nfs/dbraw/zinc/38/53/09/386385309.db2.gz JISRHSACQGXQSG-NWDGAFQWSA-N 0 3 229.320 0.903 20 0 BCADHN C[C@@H](CNC(=O)/C=C/c1ccnn1C)N(C)C ZINC000298331116 386326160 /nfs/dbraw/zinc/32/61/60/386326160.db2.gz FARFFKRXQYDPGB-PORFMDCZSA-N 0 3 236.319 0.500 20 0 BCADHN CC(C)N1CCCN(C(=O)CN(C)C)CC1 ZINC000334484383 386326360 /nfs/dbraw/zinc/32/63/60/386326360.db2.gz ZWUTYORQJHARPI-UHFFFAOYSA-N 0 3 227.352 0.491 20 0 BCADHN Cc1cnn(C)c1CN1C[C@@H](C)[C@H](CO)C1 ZINC000289546230 386327074 /nfs/dbraw/zinc/32/70/74/386327074.db2.gz FZHSBPUFRSNQQJ-MNOVXSKESA-N 0 3 223.320 0.789 20 0 BCADHN CC[C@H](F)CN1[C@H](CO)CC[C@H]1CO ZINC000347327672 386327638 /nfs/dbraw/zinc/32/76/38/386327638.db2.gz XWMWUEYAVIIBIH-GUBZILKMSA-N 0 3 205.273 0.552 20 0 BCADHN Cc1ncoc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000335274012 386328191 /nfs/dbraw/zinc/32/81/91/386328191.db2.gz QVOAORUKLFOUHW-SNVBAGLBSA-N 0 3 235.287 0.903 20 0 BCADHN Cc1n[nH]c(C)c1NC(=O)[C@]1(F)CCNC1 ZINC000366319062 386328568 /nfs/dbraw/zinc/32/85/68/386328568.db2.gz BEAWKSZTGFCXJL-JTQLQIEISA-N 0 3 226.255 0.667 20 0 BCADHN C[C@H](NC[C@@H](O)CN(C)C1CC1)c1cn[nH]c1 ZINC000289579249 386328849 /nfs/dbraw/zinc/32/88/49/386328849.db2.gz RAWYGXWQLXEVQQ-JOYOIKCWSA-N 0 3 238.335 0.515 20 0 BCADHN CC(C)CS(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000416494272 386328983 /nfs/dbraw/zinc/32/89/83/386328983.db2.gz IEHOPXGESCDHLW-JTQLQIEISA-N 0 3 234.365 0.514 20 0 BCADHN CO[C@@H]1CN([C@@H]2CCOC2)C[C@@H]1OC ZINC000336677940 386329445 /nfs/dbraw/zinc/32/94/45/386329445.db2.gz DNMZPUYJBIQCTK-BBBLOLIVSA-N 0 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BCADHN CC[C@](C)(O)CN1CCC[C@](F)(CO)C1 ZINC000347339818 386336619 /nfs/dbraw/zinc/33/66/19/386336619.db2.gz NQBZDRNSNLDGHO-WDEREUQCSA-N 0 3 219.300 0.944 20 0 BCADHN C[C@@H](CNC(=O)c1ccc[nH]c1=O)N(C)C ZINC000298389910 386336624 /nfs/dbraw/zinc/33/66/24/386336624.db2.gz DELKBIOPSLPIOQ-QMMMGPOBSA-N 0 3 223.276 0.467 20 0 BCADHN Cc1n[nH]c(C)c1CC(=O)NC[C@@H](C)N(C)C ZINC000298385423 386336644 /nfs/dbraw/zinc/33/66/44/386336644.db2.gz CZCCZCVYUZGTJW-MRVPVSSYSA-N 0 3 238.335 0.635 20 0 BCADHN CN(C)C(=O)CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000334490404 386337101 /nfs/dbraw/zinc/33/71/01/386337101.db2.gz LZOCUXUJGAJMSV-VXGBXAGGSA-N 0 3 240.347 0.823 20 0 BCADHN CO[C@@H]1CCCN(CCN2CCNC2=O)C1 ZINC000336680773 386337006 /nfs/dbraw/zinc/33/70/06/386337006.db2.gz XRVXQWQROKUEJH-SNVBAGLBSA-N 0 3 227.308 0.122 20 0 BCADHN C[C@@H](CC(N)=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000339272398 386337080 /nfs/dbraw/zinc/33/70/80/386337080.db2.gz UDISIWOTZUXYCE-UWVGGRQHSA-N 0 3 241.335 0.051 20 0 BCADHN Cc1c(C(=O)N2CCN3CCC[C@H]3C2)nnn1C ZINC000265956508 386386294 /nfs/dbraw/zinc/38/62/94/386386294.db2.gz OUBCQFZBSYGOLB-JTQLQIEISA-N 0 3 249.318 0.044 20 0 BCADHN C[C@H](CNC(=O)c1c[nH]nc1C1CC1)N(C)C ZINC000276513288 386337958 /nfs/dbraw/zinc/33/79/58/386337958.db2.gz ZQDLEVLUPGRVPW-MRVPVSSYSA-N 0 3 236.319 0.967 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2ccc(=O)n(C)c2)[C@H]1C ZINC000277496834 386440755 /nfs/dbraw/zinc/44/07/55/386440755.db2.gz ONGHFOFNIBMSAF-UWVGGRQHSA-N 0 3 249.314 0.208 20 0 BCADHN COc1c(CNC[C@@H](O)C2CC2)c(C)nn1C ZINC000134693888 386441507 /nfs/dbraw/zinc/44/15/07/386441507.db2.gz LEBHHJGKVDKFBE-LLVKDONJSA-N 0 3 239.319 0.598 20 0 BCADHN OC[C@H](O)CNCc1cc2c(cccc2F)[nH]1 ZINC000347535678 386443202 /nfs/dbraw/zinc/44/32/02/386443202.db2.gz ZIENQTXEYPYZRG-SECBINFHSA-N 0 3 238.262 0.750 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1C[C@H]1COCCO1 ZINC000336715854 386445068 /nfs/dbraw/zinc/44/50/68/386445068.db2.gz VADRJDFBHHTMRG-QWHCGFSZSA-N 0 3 242.363 0.674 20 0 BCADHN COC[C@H](C)CN(C)[C@H]1CCNC1=O ZINC000527366486 386445970 /nfs/dbraw/zinc/44/59/70/386445970.db2.gz IMTNIMFPMIONNJ-BDAKNGLRSA-N 0 3 200.282 0.089 20 0 BCADHN COC[C@@H](C)CN(C)[C@H]1CCNC1=O ZINC000527366488 386446833 /nfs/dbraw/zinc/44/68/33/386446833.db2.gz IMTNIMFPMIONNJ-IUCAKERBSA-N 0 3 200.282 0.089 20 0 BCADHN COC1CC(C(=O)N2CCNCC2(C)C)C1 ZINC000637856448 386446839 /nfs/dbraw/zinc/44/68/39/386446839.db2.gz BOZORVXRMNSZMK-UHFFFAOYSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@H]1CN(CCN2CCOCC2)CCCO1 ZINC000336719049 386447895 /nfs/dbraw/zinc/44/78/95/386447895.db2.gz SABRTSWVSUHDPI-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN COCCCN(C)C(=O)[C@@H](N)C1CCC1 ZINC000399198432 386448028 /nfs/dbraw/zinc/44/80/28/386448028.db2.gz SNDWLBPDSSTUHY-JTQLQIEISA-N 0 3 214.309 0.609 20 0 BCADHN COCC[C@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000399200187 386449412 /nfs/dbraw/zinc/44/94/12/386449412.db2.gz TZYAUICKOMLDPM-WPRPVWTQSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@H]1CCN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000528393695 386450918 /nfs/dbraw/zinc/45/09/18/386450918.db2.gz FYJNFROHUGVLIK-QWRGUYRKSA-N 0 3 229.320 0.373 20 0 BCADHN OCCN1CCN(CC[C@@H]2CCCCO2)CC1 ZINC000347401778 386388192 /nfs/dbraw/zinc/38/81/92/386388192.db2.gz RUYLJHZCXVVBIG-ZDUSSCGKSA-N 0 3 242.363 0.556 20 0 BCADHN COCC1(C)CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000335279417 386392010 /nfs/dbraw/zinc/39/20/10/386392010.db2.gz GLRADYVSPXDYSC-ZJUUUORDSA-N 0 3 226.320 0.609 20 0 BCADHN Cc1cncc(CN2[C@@H](CO)CC[C@H]2CO)c1 ZINC000347353071 386392332 /nfs/dbraw/zinc/39/23/32/386392332.db2.gz YCPBFTCJTCEVKQ-BETUJISGSA-N 0 3 236.315 0.708 20 0 BCADHN CCc1cc(C(=O)N2CCN[C@@H](C)C2)n[nH]1 ZINC000262591132 386392337 /nfs/dbraw/zinc/39/23/37/386392337.db2.gz CKDWAMAZODQATF-QMMMGPOBSA-N 0 3 222.292 0.406 20 0 BCADHN CC[C@H]1CCCN1CCN1CCCS1(=O)=O ZINC000336703879 386393761 /nfs/dbraw/zinc/39/37/61/386393761.db2.gz OVYOJOOZZQSBCZ-NSHDSACASA-N 0 3 246.376 0.896 20 0 BCADHN CO[C@@H]1CCN(CCn2cc(C)cn2)C1 ZINC000336704323 386393905 /nfs/dbraw/zinc/39/39/05/386393905.db2.gz QPSKJTMFKBLSLN-LLVKDONJSA-N 0 3 209.293 0.912 20 0 BCADHN Cc1cc(CC(=O)N2C[C@H](C)NC[C@@H]2C)[nH]n1 ZINC000237610979 386395795 /nfs/dbraw/zinc/39/57/95/386395795.db2.gz GPOCUDMCZIVXIH-UWVGGRQHSA-N 0 3 236.319 0.469 20 0 BCADHN Cn1cc([C@@H](CO)NC[C@@H](O)C(C)(C)C)cn1 ZINC000290114574 386396450 /nfs/dbraw/zinc/39/64/50/386396450.db2.gz YOPANCGNBXTXGL-GHMZBOCLSA-N 0 3 241.335 0.450 20 0 BCADHN CCOCCCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000416805634 386397161 /nfs/dbraw/zinc/39/71/61/386397161.db2.gz CVPGWXATZKKHHV-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN CO[C@@H](C)CN(CC(N)=O)C(C)(C)C ZINC000182247496 386397520 /nfs/dbraw/zinc/39/75/20/386397520.db2.gz RWNGXCGSEVIKLS-QMMMGPOBSA-N 0 3 202.298 0.607 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)NC3CCC3)C[C@@H]21 ZINC000334497114 386397548 /nfs/dbraw/zinc/39/75/48/386397548.db2.gz CUPGMJQAHVKSMA-KOLCDFICSA-N 0 3 223.320 0.884 20 0 BCADHN Cn1ncnc1CN1CCN(C)CC1(C)C ZINC000347559503 386451351 /nfs/dbraw/zinc/45/13/51/386451351.db2.gz DGJZWGUHLABXPE-UHFFFAOYSA-N 0 3 223.324 0.341 20 0 BCADHN CC[C@@H](C(=O)NCC1(CO)CCC1)N(C)C ZINC000182285864 386398934 /nfs/dbraw/zinc/39/89/34/386398934.db2.gz MQSLCDCRTBPOQI-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CCOCCN1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000339384244 386398966 /nfs/dbraw/zinc/39/89/66/386398966.db2.gz CZEMHEUASAXSRO-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN CCOCCN1CCO[C@H]2CCN(CC)C[C@@H]21 ZINC000339384245 386399055 /nfs/dbraw/zinc/39/90/55/386399055.db2.gz CZEMHEUASAXSRO-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN O=C1CCCN1[C@@H]1CCN(CCn2ccnc2)C1 ZINC000336700497 386400893 /nfs/dbraw/zinc/40/08/93/386400893.db2.gz FRGOJVBPHSDDJA-GFCCVEGCSA-N 0 3 248.330 0.580 20 0 BCADHN CCOCCCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000416815200 386401437 /nfs/dbraw/zinc/40/14/37/386401437.db2.gz NPFBIQSENOXVPH-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN CN(Cc1cn(C)nn1)[C@@H]1CCN(C2CC2)C1 ZINC000336700953 386402133 /nfs/dbraw/zinc/40/21/33/386402133.db2.gz IEQRGNNVORWFCE-GFCCVEGCSA-N 0 3 235.335 0.484 20 0 BCADHN O=C1NC(=O)[C@@H]2CN([C@H]3C=CCCC3)CC[C@@H]12 ZINC000366356737 386402941 /nfs/dbraw/zinc/40/29/41/386402941.db2.gz PNTQLNRBVNFTGN-HBNTYKKESA-N 0 3 234.299 0.690 20 0 BCADHN COCC(=O)NCCN1CCCC(C)(C)C1 ZINC000347439561 386403949 /nfs/dbraw/zinc/40/39/49/386403949.db2.gz YSGPYODABQVAOB-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN O=C1CN(C[C@@H]2CCOC2)[C@@H]2CCCC[C@@H]2N1 ZINC000336701545 386404108 /nfs/dbraw/zinc/40/41/08/386404108.db2.gz LRAAVXDASONFDD-SDDRHHMPSA-N 0 3 238.331 0.766 20 0 BCADHN CN(C)CC1(NC(=O)[C@H]2CCOC2)CCC1 ZINC000339399799 386405021 /nfs/dbraw/zinc/40/50/21/386405021.db2.gz KVAGNZBHXVMKNF-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H](O)CCN(C)C(=O)NC1CCN(C)CC1 ZINC000408367062 386407714 /nfs/dbraw/zinc/40/77/14/386407714.db2.gz SHJAUCQVVNBCDC-JTQLQIEISA-N 0 3 243.351 0.493 20 0 BCADHN CCOCCNC(=O)CN(CCO)[C@H](C)CC ZINC000347459815 386411118 /nfs/dbraw/zinc/41/11/18/386411118.db2.gz SNASDCVBZUCYDH-LLVKDONJSA-N 0 3 246.351 0.232 20 0 BCADHN O=C(NCC1CCC1)[C@@H]1CN2CCN1CCC2 ZINC000343217015 386413868 /nfs/dbraw/zinc/41/38/68/386413868.db2.gz LKGLYSYONDRRJD-LBPRGKRZSA-N 0 3 237.347 0.293 20 0 BCADHN Cc1cnn(CCN(C)[C@@H]2CCOC2)c1 ZINC000336707781 386414019 /nfs/dbraw/zinc/41/40/19/386414019.db2.gz RWOSFHUZWBWCDG-LLVKDONJSA-N 0 3 209.293 0.912 20 0 BCADHN CCN(C)CCNC(=O)c1cncc(OC)n1 ZINC000277227216 386417432 /nfs/dbraw/zinc/41/74/32/386417432.db2.gz IPXGRMOBROFALD-UHFFFAOYSA-N 0 3 238.291 0.167 20 0 BCADHN CN(CC[C@H]1CCCCO1)[C@@H]1CCNC1=O ZINC000347494207 386422076 /nfs/dbraw/zinc/42/20/76/386422076.db2.gz SLCLJSVAEMCFGC-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN CS(=O)(=O)NC[C@H]1CCCN(CC2CC2)C1 ZINC000336709968 386422628 /nfs/dbraw/zinc/42/26/28/386422628.db2.gz YMQZCFMXIVPHQU-LLVKDONJSA-N 0 3 246.376 0.658 20 0 BCADHN CC(C)CCn1cccc1CNC[C@@H](O)CO ZINC000347496095 386423062 /nfs/dbraw/zinc/42/30/62/386423062.db2.gz CMQHDAGOCPUQQF-CYBMUJFWSA-N 0 3 240.347 0.977 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C(=O)[C@@H](N)C1CCC1 ZINC000399138802 386423562 /nfs/dbraw/zinc/42/35/62/386423562.db2.gz SWJHJNCPJZRQRX-WPRPVWTQSA-N 0 3 242.319 0.381 20 0 BCADHN C[C@H](CN[C@@H]1C[C@H]1C1CC1)S(C)(=O)=O ZINC000519387602 386425278 /nfs/dbraw/zinc/42/52/78/386425278.db2.gz MZJHJGCEGUDCKC-FKTZTGRPSA-N 0 3 217.334 0.808 20 0 BCADHN CSC[C@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000399153032 386425453 /nfs/dbraw/zinc/42/54/53/386425453.db2.gz AGNQCADYIPJSON-IONNQARKSA-N 0 3 216.350 0.982 20 0 BCADHN Cc1cnc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cn1 ZINC000336710874 386426072 /nfs/dbraw/zinc/42/60/72/386426072.db2.gz LTNWUACWIPAVEV-WCFLWFBJSA-N 0 3 233.315 0.988 20 0 BCADHN CC(C(=O)N(C)[C@@H](C)C1CC1)S(C)(=O)=O ZINC000340337960 386426363 /nfs/dbraw/zinc/42/63/63/386426363.db2.gz FEXSOPHNWGDWGD-YUMQZZPRSA-N 0 3 233.333 0.676 20 0 BCADHN Cc1cccn2c(CNC[C@H](O)CO)cnc12 ZINC000347510802 386427494 /nfs/dbraw/zinc/42/74/94/386427494.db2.gz 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GFVVEPFYGPQENK-JTQLQIEISA-N 0 3 248.334 0.925 20 0 BCADHN CC[C@H]1C[C@H](NC(=O)C(C)(C)N)CCO1 ZINC000335445780 386509606 /nfs/dbraw/zinc/50/96/06/386509606.db2.gz PFNFMSKGHLNIOG-BDAKNGLRSA-N 0 3 214.309 0.798 20 0 BCADHN O=C(Nc1c[nH]nc1-c1ccccn1)[C@H]1CCN1 ZINC000519612778 386512237 /nfs/dbraw/zinc/51/22/37/386512237.db2.gz WGIMNHBVRLHCEO-SECBINFHSA-N 0 3 243.270 0.772 20 0 BCADHN COC(=O)[C@H](O)C1CCN(CC(C)(C)O)CC1 ZINC000135369819 386512469 /nfs/dbraw/zinc/51/24/69/386512469.db2.gz MWWJWXOPKLGEEZ-SNVBAGLBSA-N 0 3 245.319 0.003 20 0 BCADHN COC(=O)[C@@H](O)C1CCN(CC(C)(C)O)CC1 ZINC000135369796 386512934 /nfs/dbraw/zinc/51/29/34/386512934.db2.gz MWWJWXOPKLGEEZ-JTQLQIEISA-N 0 3 245.319 0.003 20 0 BCADHN CN1CCC(CC(=O)N2CC[C@@](C)(O)C2)CC1 ZINC000335447026 386514341 /nfs/dbraw/zinc/51/43/41/386514341.db2.gz ARFNPQLLONNMRY-CYBMUJFWSA-N 0 3 240.347 0.702 20 0 BCADHN O=C(CC[C@@H]1CCCO1)NC[C@@H]1C[C@H](F)CN1 ZINC000366465834 386525770 /nfs/dbraw/zinc/52/57/70/386525770.db2.gz 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ZINC000424847601 386583028 /nfs/dbraw/zinc/58/30/28/386583028.db2.gz KPSKGFBPZAHPGO-QXFUBDJGSA-N 0 3 202.273 0.801 20 0 BCADHN CC(C)CN1CCN(CCO)[C@H](C)C1 ZINC000187722172 386584833 /nfs/dbraw/zinc/58/48/33/386584833.db2.gz KFHYPAWVFLKKOD-LLVKDONJSA-N 0 3 200.326 0.641 20 0 BCADHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CC(=O)NC1CC1 ZINC000408431590 386585645 /nfs/dbraw/zinc/58/56/45/386585645.db2.gz ATXZDTVHVFPUCK-CKYFFXLPSA-N 0 3 240.347 0.746 20 0 BCADHN CN(C)CC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000062622759 386587181 /nfs/dbraw/zinc/58/71/81/386587181.db2.gz IJGVNBZGMBIDEU-CYBMUJFWSA-N 0 3 247.342 0.721 20 0 BCADHN O=C(NCCN1CCCC1)c1cscn1 ZINC000062663097 386590027 /nfs/dbraw/zinc/59/00/27/386590027.db2.gz ZQHBZDOIKKPUOA-UHFFFAOYSA-N 0 3 225.317 0.969 20 0 BCADHN CCN(C)CCNC(=O)c1nccn1CC ZINC000291843212 386591367 /nfs/dbraw/zinc/59/13/67/386591367.db2.gz FMLKXQMALOXJHA-UHFFFAOYSA-N 0 3 224.308 0.585 20 0 BCADHN C[C@@H]1CN(c2ncnc3nc[nH]c32)[C@H](C)CN1C ZINC000408436372 386591970 /nfs/dbraw/zinc/59/19/70/386591970.db2.gz YCJFIQCMXUHNJN-RKDXNWHRSA-N 0 3 246.318 0.882 20 0 BCADHN C[C@@H]1CN(c2ncnc3[nH]cnc32)[C@H](C)CN1C ZINC000408436372 386591975 /nfs/dbraw/zinc/59/19/75/386591975.db2.gz YCJFIQCMXUHNJN-RKDXNWHRSA-N 0 3 246.318 0.882 20 0 BCADHN CC[C@H](CO)NC(=O)CN(C)C(C)C ZINC000123991200 386592452 /nfs/dbraw/zinc/59/24/52/386592452.db2.gz ATIMBRJLLCRHNR-SECBINFHSA-N 0 3 202.298 0.214 20 0 BCADHN CC[C@H](NC(=O)/C=C/CN(C)C)C(=O)OC ZINC000267861287 386592723 /nfs/dbraw/zinc/59/27/23/386592723.db2.gz SFJOZVIHSWHEEV-UCUJLANTSA-N 0 3 228.292 0.172 20 0 BCADHN COC1(CNC(=O)Cc2nc[nH]c2C)CCC1 ZINC000278843015 386593327 /nfs/dbraw/zinc/59/33/27/386593327.db2.gz SVTRVQCGPIXOKD-UHFFFAOYSA-N 0 3 237.303 0.946 20 0 BCADHN CSC[C@@H](O)CN1CC[C@@H](n2cccn2)C1 ZINC000291866716 386594155 /nfs/dbraw/zinc/59/41/55/386594155.db2.gz PPLVHVHQINKCRY-MNOVXSKESA-N 0 3 241.360 0.854 20 0 BCADHN CC[C@@H](F)CNC1(CO)CCOCC1 ZINC000336644635 386594409 /nfs/dbraw/zinc/59/44/09/386594409.db2.gz ANPLNTYZOPNWKN-SECBINFHSA-N 0 3 205.273 0.866 20 0 BCADHN CCCNC(=O)CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425548524 386595531 /nfs/dbraw/zinc/59/55/31/386595531.db2.gz MYZLWVYKNZGXNQ-SECBINFHSA-N 0 3 237.307 0.120 20 0 BCADHN Cc1cc(CC(=O)N(C)CCN(C)C)no1 ZINC000267875749 386595481 /nfs/dbraw/zinc/59/54/81/386595481.db2.gz MMRQAZLRAJMTTH-UHFFFAOYSA-N 0 3 225.292 0.546 20 0 BCADHN CC[C@H](N[C@@H](C)[C@@H]1CCCO1)C(N)=O ZINC000061676674 386532805 /nfs/dbraw/zinc/53/28/05/386532805.db2.gz YPEGONSYZZZOSL-CIUDSAMLSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000332036898 386534848 /nfs/dbraw/zinc/53/48/48/386534848.db2.gz KTCLRJZPABTXGW-GUBZILKMSA-N 0 3 243.351 0.395 20 0 BCADHN Cc1ccc([C@H](N)C(=O)N2CCCNCC2)cc1 ZINC000228072678 386539002 /nfs/dbraw/zinc/53/90/02/386539002.db2.gz KLUNSUODXLTLJO-ZDUSSCGKSA-N 0 3 247.342 0.817 20 0 BCADHN CCN(C)C(=O)CN[C@H](C1CC1)C(C)(C)CO ZINC000339727736 386542313 /nfs/dbraw/zinc/54/23/13/386542313.db2.gz OPCIVKLZODCPNJ-GFCCVEGCSA-N 0 3 242.363 0.851 20 0 BCADHN O[C@H]1CCN(CCO[C@@H]2CCCCO2)C1 ZINC000061708338 386545139 /nfs/dbraw/zinc/54/51/39/386545139.db2.gz VSKLOCSESTVHNL-WDEREUQCSA-N 0 3 215.293 0.596 20 0 BCADHN O[C@H]1CCN(CCO[C@H]2CCCCO2)C1 ZINC000061708339 386545519 /nfs/dbraw/zinc/54/55/19/386545519.db2.gz VSKLOCSESTVHNL-QWRGUYRKSA-N 0 3 215.293 0.596 20 0 BCADHN Cc1cnc(CNC[C@H]2CCOC2)n1C ZINC000336733622 386545826 /nfs/dbraw/zinc/54/58/26/386545826.db2.gz MNZCZTVULKXBGD-SNVBAGLBSA-N 0 3 209.293 0.855 20 0 BCADHN C[C@@H]1COCCN1C(=O)CN1CCC(C)(C)C1 ZINC000519761954 386547054 /nfs/dbraw/zinc/54/70/54/386547054.db2.gz BUAOLQOFXNVFHB-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CCSCCN[C@@H]1CC(=O)N(CC)C1 ZINC000391651368 386558635 /nfs/dbraw/zinc/55/86/35/386558635.db2.gz XBRYQJYNFYHAKO-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000335405025 386560866 /nfs/dbraw/zinc/56/08/66/386560866.db2.gz BHGHHPHINUAOLR-RNFRBKRXSA-N 0 3 218.278 0.294 20 0 BCADHN CS[C@@H]1CC[C@H]1N[C@@H]1CCS(=O)(=O)C1 ZINC000425323091 386561907 /nfs/dbraw/zinc/56/19/07/386561907.db2.gz KGTBFBLWOFQUPJ-IWSPIJDZSA-N 0 3 235.374 0.657 20 0 BCADHN Cc1[nH]cnc1CC(=O)NC[C@H]1CCCO1 ZINC000278668514 386563158 /nfs/dbraw/zinc/56/31/58/386563158.db2.gz PPYNNJMRJJZQTC-SECBINFHSA-N 0 3 223.276 0.556 20 0 BCADHN CO[C@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC000336618002 386564241 /nfs/dbraw/zinc/56/42/41/386564241.db2.gz UZZRIYYHLFQNAW-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1cscn1 ZINC000519829258 386565860 /nfs/dbraw/zinc/56/58/60/386565860.db2.gz RAUUCXRKESKPCQ-LURJTMIESA-N 0 3 235.334 0.159 20 0 BCADHN C[C@H]1CN(CC2CCOCC2)CCN1CCO ZINC000187654874 386568212 /nfs/dbraw/zinc/56/82/12/386568212.db2.gz KRZRDFXSPKHPPR-LBPRGKRZSA-N 0 3 242.363 0.411 20 0 BCADHN Cc1noc(CNC(=O)[C@@]2(C)CCCCN2)n1 ZINC000136178982 386568280 /nfs/dbraw/zinc/56/82/80/386568280.db2.gz COWHCLVEVYYRES-LLVKDONJSA-N 0 3 238.291 0.526 20 0 BCADHN CCN1C[C@H](C)N(Cc2nnn(C)n2)C[C@@H]1C ZINC000408421905 386568858 /nfs/dbraw/zinc/56/88/58/386568858.db2.gz CINLQUMLXMCBRS-UWVGGRQHSA-N 0 3 238.339 0.125 20 0 BCADHN CCCN(C)CC(=O)NCc1ccncn1 ZINC000425316811 386569271 /nfs/dbraw/zinc/56/92/71/386569271.db2.gz YQAZVPVWRYZAAO-UHFFFAOYSA-N 0 3 222.292 0.435 20 0 BCADHN CC(C)C(=O)NCCN(C)CC1(O)CCC1 ZINC000332075561 386570658 /nfs/dbraw/zinc/57/06/58/386570658.db2.gz WSBSWBFRIRZBEQ-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)Cc1cc[nH]n1 ZINC000268098484 386620429 /nfs/dbraw/zinc/62/04/29/386620429.db2.gz HNBWNYFJOAIQME-LLVKDONJSA-N 0 3 236.319 0.505 20 0 BCADHN C[C@@H](O)CCCN1CC[C@H](c2nnc[nH]2)C1 ZINC000425555646 386626691 /nfs/dbraw/zinc/62/66/91/386626691.db2.gz YLNXRPAOUKFSPM-ZJUUUORDSA-N 0 3 224.308 0.755 20 0 BCADHN CSC[C@@H](O)C[N@@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000425553418 386626746 /nfs/dbraw/zinc/62/67/46/386626746.db2.gz UKNJUDGZAVYOMC-IUCAKERBSA-N 0 3 242.348 0.318 20 0 BCADHN CSC[C@@H](O)C[N@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000425553418 386626751 /nfs/dbraw/zinc/62/67/51/386626751.db2.gz UKNJUDGZAVYOMC-IUCAKERBSA-N 0 3 242.348 0.318 20 0 BCADHN O=C(CCc1ncc[nH]1)N1CCN2CCC1CC2 ZINC000328797335 386626973 /nfs/dbraw/zinc/62/69/73/386626973.db2.gz VRWJRHDDPIKETF-UHFFFAOYSA-N 0 3 248.330 0.649 20 0 BCADHN Cn1nncc1CNC[C@@]1(O)CCCC1(C)C ZINC000328782810 386627545 /nfs/dbraw/zinc/62/75/45/386627545.db2.gz GHJZYLFJLRZDRH-LBPRGKRZSA-N 0 3 238.335 0.846 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCN1CCNC1=O ZINC000644938431 386627742 /nfs/dbraw/zinc/62/77/42/386627742.db2.gz QSDMOULXYZQFLI-LLVKDONJSA-N 0 3 240.351 0.038 20 0 BCADHN CC(C)[C@@H](N)c1cn(C[C@H](O)C(C)C)nn1 ZINC000300891314 386628043 /nfs/dbraw/zinc/62/80/43/386628043.db2.gz ONWHMIJAJHXFIF-WDEREUQCSA-N 0 3 226.324 0.951 20 0 BCADHN CN(C)C(=O)CCN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000520249202 386628110 /nfs/dbraw/zinc/62/81/10/386628110.db2.gz QZUHDTJQFCGYME-SNVBAGLBSA-N 0 3 241.335 0.017 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1csnn1 ZINC000268239469 386633874 /nfs/dbraw/zinc/63/38/74/386633874.db2.gz ZLBMQXYJFCMQGT-MRVPVSSYSA-N 0 3 240.332 0.704 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000268237223 386634211 /nfs/dbraw/zinc/63/42/11/386634211.db2.gz ODDFGUSFXNPGLC-PELKAZGASA-N 0 3 248.330 0.931 20 0 BCADHN CC(C)n1cc(CNC[C@@H](C)N(C)C)nn1 ZINC000336646756 386639849 /nfs/dbraw/zinc/63/98/49/386639849.db2.gz FCFMFIVLQOSMSO-SNVBAGLBSA-N 0 3 225.340 0.899 20 0 BCADHN CC[C@@H](COC)NC(=O)Cc1nc[nH]c1C ZINC000279169014 386643660 /nfs/dbraw/zinc/64/36/60/386643660.db2.gz IXRBACYEKYECOY-VIFPVBQESA-N 0 3 225.292 0.802 20 0 BCADHN Cn1nncc1CN[C@@H]1CCc2c[nH]nc2C1 ZINC000329270528 386644759 /nfs/dbraw/zinc/64/47/59/386644759.db2.gz IUQFLVPCPMWKFU-SECBINFHSA-N 0 3 232.291 0.185 20 0 BCADHN CCCN(Cc1cnnn1C)[C@@H]1CCN(C)C1 ZINC000648056853 386656290 /nfs/dbraw/zinc/65/62/90/386656290.db2.gz YOXXAWLZEKPONT-LLVKDONJSA-N 0 3 237.351 0.731 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425549171 386600764 /nfs/dbraw/zinc/60/07/64/386600764.db2.gz NTUOEHQMRQFXOD-VIFPVBQESA-N 0 3 237.307 0.072 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1cn2ccccc2n1 ZINC000291941148 386601005 /nfs/dbraw/zinc/60/10/05/386601005.db2.gz CVUBATNEEVLODY-GFCCVEGCSA-N 0 3 246.314 0.934 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000337104995 386602546 /nfs/dbraw/zinc/60/25/46/386602546.db2.gz HSCQRPUAVUWFKR-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)Cc2cncnc2)C1 ZINC000278934040 386609780 /nfs/dbraw/zinc/60/97/80/386609780.db2.gz TYCHPIBDVMLREJ-LBPRGKRZSA-N 0 3 248.330 0.572 20 0 BCADHN Cn1cccc1CN1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000365656013 386610717 /nfs/dbraw/zinc/61/07/17/386610717.db2.gz JGTNQNNVPKBKGF-PWSUYJOCSA-N 0 3 233.315 0.593 20 0 BCADHN CCCCNC(=O)[C@@H](N)CCC(=O)OC ZINC000336757834 386610855 /nfs/dbraw/zinc/61/08/55/386610855.db2.gz ZDMPOQRFBOBYOA-QMMMGPOBSA-N 0 3 216.281 0.183 20 0 BCADHN CC[C@@H](NCC(=O)NC)[C@H]1CCCO1 ZINC000336646981 386655147 /nfs/dbraw/zinc/65/51/47/386655147.db2.gz DRDAXJOHFLJLAD-RKDXNWHRSA-N 0 3 200.282 0.280 20 0 BCADHN CC[C@H](F)CN[C@H](CO)[C@H]1CCCO1 ZINC000336645448 386612997 /nfs/dbraw/zinc/61/29/97/386612997.db2.gz BQLQFDNQILBPRZ-IVZWLZJFSA-N 0 3 205.273 0.864 20 0 BCADHN C[C@H](O)CCN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000644921307 386613120 /nfs/dbraw/zinc/61/31/20/386613120.db2.gz CYHRSTORSDMTQU-AVGNSLFASA-N 0 3 242.363 0.288 20 0 BCADHN C[C@@H](O)CCN1CCN(C[C@@H]2CCCO2)CC1 ZINC000644918697 386614087 /nfs/dbraw/zinc/61/40/87/386614087.db2.gz VGKABAZLEDVMAG-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)C(C)(C)N ZINC000336757735 386616767 /nfs/dbraw/zinc/61/67/67/386616767.db2.gz KFIFAYCZGAFCDG-YUMQZZPRSA-N 0 3 202.298 0.247 20 0 BCADHN NC(=O)NC(=O)CN1CCCC12CCC2 ZINC000335521881 386661908 /nfs/dbraw/zinc/66/19/08/386661908.db2.gz VTUKUSMKYLKMMB-UHFFFAOYSA-N 0 3 211.265 0.200 20 0 BCADHN COC(=O)CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000120224826 386663180 /nfs/dbraw/zinc/66/31/80/386663180.db2.gz MYVLMNFDWKRGOT-IUCAKERBSA-N 0 3 228.292 0.148 20 0 BCADHN C[C@H](O)CN1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000337222740 386663688 /nfs/dbraw/zinc/66/36/88/386663688.db2.gz CYIULYKUJPWIQT-SRVKXCTJSA-N 0 3 229.320 0.637 20 0 BCADHN Cc1ccoc1CN(C)CCC(=O)NC(N)=O ZINC000292415267 386663801 /nfs/dbraw/zinc/66/38/01/386663801.db2.gz UWUWIODODQJHAI-UHFFFAOYSA-N 0 3 239.275 0.605 20 0 BCADHN CS[C@@H]1CC[C@@H]1NC1(C(N)=O)CC1 ZINC000425331560 386666371 /nfs/dbraw/zinc/66/63/71/386666371.db2.gz BTGAXZAQYOXYIU-NKWVEPMBSA-N 0 3 200.307 0.488 20 0 BCADHN CC1(C)CN[C@H]1C(=O)Nc1nnc2ccccn21 ZINC000645432204 386668693 /nfs/dbraw/zinc/66/86/93/386668693.db2.gz ULPWGVCSFQKJNU-VIFPVBQESA-N 0 3 245.286 0.666 20 0 BCADHN Cn1ccc(CN2CCC[C@H]3CN(C)C[C@H]32)n1 ZINC000335528189 386673187 /nfs/dbraw/zinc/67/31/87/386673187.db2.gz BTUNIVGDKWSZGP-WCQYABFASA-N 0 3 234.347 0.946 20 0 BCADHN CC1(C)CCCN[C@@H]1C(=O)NCc1ncc[nH]1 ZINC000232819727 386674110 /nfs/dbraw/zinc/67/41/10/386674110.db2.gz BIKPYMBYPZBXGJ-SNVBAGLBSA-N 0 3 236.319 0.804 20 0 BCADHN C[C@H](NCc1cnnn1C)[C@H]1CCCO1 ZINC000129709781 386675572 /nfs/dbraw/zinc/67/55/72/386675572.db2.gz FYIFMQQPCODXOK-WCBMZHEXSA-N 0 3 210.281 0.472 20 0 BCADHN Cc1ccoc1CNC(=O)C(C)S(C)(=O)=O ZINC000292473999 386675834 /nfs/dbraw/zinc/67/58/34/386675834.db2.gz VIPPOAAFIRZGOI-MRVPVSSYSA-N 0 3 245.300 0.637 20 0 BCADHN CCC[C@@H](O)CNC(=O)/C=C/CN(C)C ZINC000268649822 386675713 /nfs/dbraw/zinc/67/57/13/386675713.db2.gz WGOOXSZAKGKMFW-BREXMAIKSA-N 0 3 214.309 0.381 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)/C=C/CN(C)C ZINC000268639872 386675927 /nfs/dbraw/zinc/67/59/27/386675927.db2.gz UGAUULAHALOSJC-JNQBIPAQSA-N 0 3 228.336 0.627 20 0 BCADHN COCCOCCNC(=O)[C@H](N)CCC(C)C ZINC000637936627 386682579 /nfs/dbraw/zinc/68/25/79/386682579.db2.gz YGNPGSGVCYXATM-LLVKDONJSA-N 0 3 246.351 0.529 20 0 BCADHN O=C1[N-]C(=O)N2CC[N@H+](CC3CCC3)C[C@@H]12 ZINC000329463777 386677617 /nfs/dbraw/zinc/67/76/17/386677617.db2.gz UMSWUVMWIFDFGS-VIFPVBQESA-N 0 3 223.276 0.863 20 0 BCADHN O=C1[N-]C(=O)N2CC[N@@H+](CC3CCC3)C[C@@H]12 ZINC000329463777 386677625 /nfs/dbraw/zinc/67/76/25/386677625.db2.gz UMSWUVMWIFDFGS-VIFPVBQESA-N 0 3 223.276 0.863 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H]1CCCOC1 ZINC000352832162 386678141 /nfs/dbraw/zinc/67/81/41/386678141.db2.gz VMYGZHUVCFWVID-VHSXEESVSA-N 0 3 229.324 0.415 20 0 BCADHN CN(Cc1ccon1)C(=O)COC1(C)CNC1 ZINC000648088251 386681479 /nfs/dbraw/zinc/68/14/79/386681479.db2.gz OIQKCXWHNJOYDR-UHFFFAOYSA-N 0 3 239.275 0.012 20 0 BCADHN Cc1nonc1C(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000279275892 386657393 /nfs/dbraw/zinc/65/73/93/386657393.db2.gz ZRNXOHATXXTLIA-DTORHVGOSA-N 0 3 236.275 0.012 20 0 BCADHN CCCN(Cc1cn(C)nn1)[C@@H]1CCN(C)C1 ZINC000648056474 386658919 /nfs/dbraw/zinc/65/89/19/386658919.db2.gz JMVIMHNDOLIFCC-GFCCVEGCSA-N 0 3 237.351 0.731 20 0 BCADHN CC(C)C[C@@H](CCO)CNC(=O)[C@@H](C)N ZINC000121675040 386709351 /nfs/dbraw/zinc/70/93/51/386709351.db2.gz QKOGIMLKJSWYHQ-NXEZZACHSA-N 0 3 216.325 0.495 20 0 BCADHN C[C@H](CNC(=O)CC(C)(C)O)N1CCCC1 ZINC000526956505 386710175 /nfs/dbraw/zinc/71/01/75/386710175.db2.gz MSTHIGLXQNGJGE-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CS(=O)(=O)CCCN1CCCC[C@@H]1CN ZINC000063015260 386684627 /nfs/dbraw/zinc/68/46/27/386684627.db2.gz CMXACZPFIRCDNQ-SNVBAGLBSA-N 0 3 234.365 0.234 20 0 BCADHN CCN(CCCO)C(=O)CN1CCC(C)CC1 ZINC000339833432 386684981 /nfs/dbraw/zinc/68/49/81/386684981.db2.gz HAQMCLDQAMUZME-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN Cc1c(NC(=O)COC2(C)CNC2)cnn1C ZINC000648089043 386685327 /nfs/dbraw/zinc/68/53/27/386685327.db2.gz SBEMGXCCSHLDPX-UHFFFAOYSA-N 0 3 238.291 0.046 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCn1cccn1 ZINC000042542316 386685519 /nfs/dbraw/zinc/68/55/19/386685519.db2.gz WNCFFIWUCPKHQG-LLVKDONJSA-N 0 3 224.308 0.517 20 0 BCADHN Cn1nncc1CNC[C@H]1CCCCO1 ZINC000129731297 386688631 /nfs/dbraw/zinc/68/86/31/386688631.db2.gz KVUIHOIYRZPOAJ-SNVBAGLBSA-N 0 3 210.281 0.474 20 0 BCADHN CN(C)CC=CC(=O)Nc1ccc(=O)[nH]c1 ZINC000292547791 386688940 /nfs/dbraw/zinc/68/89/40/386688940.db2.gz SJAYOZSNKHYIAR-ONEGZZNKSA-N 0 3 221.260 0.844 20 0 BCADHN C[C@H]1CC[C@@H](NC2CS(=O)(=O)C2)C1 ZINC000307496872 386688979 /nfs/dbraw/zinc/68/89/79/386688979.db2.gz JKNOEMOTKMYISX-JGVFFNPUSA-N 0 3 203.307 0.562 20 0 BCADHN NC1(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CCC1 ZINC000335470035 386689060 /nfs/dbraw/zinc/68/90/60/386689060.db2.gz NVTPCERSRVZPDN-GHMZBOCLSA-N 0 3 238.331 0.942 20 0 BCADHN CO[C@H](C)CN(C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000353217468 386689955 /nfs/dbraw/zinc/68/99/55/386689955.db2.gz HRAPCUXAAUNUSW-UPJWGTAASA-N 0 3 242.363 0.816 20 0 BCADHN C[C@H]1CC[C@H](NC2CS(=O)(=O)C2)C1 ZINC000307496885 386690283 /nfs/dbraw/zinc/69/02/83/386690283.db2.gz JKNOEMOTKMYISX-YUMQZZPRSA-N 0 3 203.307 0.562 20 0 BCADHN CO[C@H](C)CN1CCC[C@H]2C(=O)NC[C@@H]21 ZINC000337258595 386691238 /nfs/dbraw/zinc/69/12/38/386691238.db2.gz VDOCXCIYIJGIHZ-BBBLOLIVSA-N 0 3 212.293 0.232 20 0 BCADHN C[C@H](CCCO)NC(=O)NC[C@H]1CCCN1C ZINC000121065571 386692153 /nfs/dbraw/zinc/69/21/53/386692153.db2.gz NGPYKVLUZCMUMU-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H](O)CN1CCN(C2CCOCC2)C[C@H]1C ZINC000337265104 386693690 /nfs/dbraw/zinc/69/36/90/386693690.db2.gz YGJDBMAWIDSSSZ-NEPJUHHUSA-N 0 3 242.363 0.552 20 0 BCADHN O=C1NC[C@@H]2[C@H]1CCCN2CC[C@H]1CCCO1 ZINC000337262040 386694089 /nfs/dbraw/zinc/69/40/89/386694089.db2.gz YJHRCRLSQZKFBG-IJLUTSLNSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@H](O)CN1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000337264846 386694363 /nfs/dbraw/zinc/69/43/63/386694363.db2.gz YBROCKCYEDNREJ-YFKTTZPYSA-N 0 3 229.320 0.636 20 0 BCADHN CCc1cc(OC)ccc1CNC[C@@H](O)CO ZINC000337261979 386694619 /nfs/dbraw/zinc/69/46/19/386694619.db2.gz QRDNFOTXFYCMEQ-GFCCVEGCSA-N 0 3 239.315 0.700 20 0 BCADHN Cn1cc(CN[C@H]2CCc3c[nH]nc3C2)cn1 ZINC000335474066 386695415 /nfs/dbraw/zinc/69/54/15/386695415.db2.gz QEWIMOCHZLRULC-NSHDSACASA-N 0 3 231.303 0.790 20 0 BCADHN C[C@@]1(CNC(=O)[C@H](N)CC(F)F)CCCO1 ZINC000336648446 386695650 /nfs/dbraw/zinc/69/56/50/386695650.db2.gz GDIMBYXNHYNLKT-XCBNKYQSSA-N 0 3 236.262 0.654 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000330381456 386695824 /nfs/dbraw/zinc/69/58/24/386695824.db2.gz NJZFXQZKJLHJLB-LLVKDONJSA-N 0 3 241.335 0.065 20 0 BCADHN CC[C@H](N[C@@H]1CC(=O)N(C)C1)c1cnn(C)c1 ZINC000268808647 386697540 /nfs/dbraw/zinc/69/75/40/386697540.db2.gz GKPCZBPAYSWQCU-MNOVXSKESA-N 0 3 236.319 0.692 20 0 BCADHN C[C@@H]1CN(c2ncnc3n[nH]cc32)C[C@H](C)N1C ZINC000645055560 386698522 /nfs/dbraw/zinc/69/85/22/386698522.db2.gz OUDJRRKIJWVAFI-DTORHVGOSA-N 0 3 246.318 0.882 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)c1ncnn1C ZINC000330390834 386700057 /nfs/dbraw/zinc/70/00/57/386700057.db2.gz FRMCUPWJUMPNKO-SECBINFHSA-N 0 3 239.323 0.334 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@@H](O)COC ZINC000520571666 386700304 /nfs/dbraw/zinc/70/03/04/386700304.db2.gz BEUPURHKZAXRKI-GHMZBOCLSA-N 0 3 216.325 0.020 20 0 BCADHN COC(=O)CCN1CCN(C)[C@H](C)[C@H]1C ZINC000357043711 386701792 /nfs/dbraw/zinc/70/17/92/386701792.db2.gz REATVMIPAGBFHW-NXEZZACHSA-N 0 3 214.309 0.574 20 0 BCADHN C[C@@H]1[C@H](C)N(Cc2ncnn2C)CCN1C ZINC000357041854 386702341 /nfs/dbraw/zinc/70/23/41/386702341.db2.gz PRRXFCXMNAPXNI-ZJUUUORDSA-N 0 3 223.324 0.340 20 0 BCADHN CCc1ccc([C@@H](CO)NCCO)cc1 ZINC000336760206 386705102 /nfs/dbraw/zinc/70/51/02/386705102.db2.gz LPGFAEKOJGFRJC-GFCCVEGCSA-N 0 3 209.289 0.864 20 0 BCADHN C[C@@H]1OCC[C@@H]1NC(=O)[C@]1(C)CCCCN1 ZINC000121458040 386712217 /nfs/dbraw/zinc/71/22/17/386712217.db2.gz GQJRDTBFZNICHR-NHCYSSNCSA-N 0 3 226.320 0.812 20 0 BCADHN Cn1nccc1CNC[C@@H](CO)[C@H]1CCOC1 ZINC000520686607 386733704 /nfs/dbraw/zinc/73/37/04/386733704.db2.gz MPXGWSSDZIURPW-QWRGUYRKSA-N 0 3 239.319 0.155 20 0 BCADHN N[C@@H](C(=O)N[C@@H]1C=CCCC1)C1CCOCC1 ZINC000335534908 386736428 /nfs/dbraw/zinc/73/64/28/386736428.db2.gz VBDKKFIFKAPGQO-VXGBXAGGSA-N 0 3 238.331 0.965 20 0 BCADHN CN(C)CCN(C)C(=O)CCc1cncnc1 ZINC000292846511 386737204 /nfs/dbraw/zinc/73/72/04/386737204.db2.gz QCKSXZFFVMBMJT-UHFFFAOYSA-N 0 3 236.319 0.429 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2CCN(C)CC2)CO1 ZINC000335535225 386737376 /nfs/dbraw/zinc/73/73/76/386737376.db2.gz WESDEKBJWZNKRR-MWLCHTKSSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@H](CO)NCc1cnc2ccc(C)cn12 ZINC000279802161 386737779 /nfs/dbraw/zinc/73/77/79/386737779.db2.gz NOXMXKQSCAROCU-NSHDSACASA-N 0 3 249.314 0.740 20 0 BCADHN C[C@@H]1CN(CCc2cn[nH]n2)CCS1 ZINC000647962624 386738390 /nfs/dbraw/zinc/73/83/90/386738390.db2.gz IOWKOQIVBOSAHT-MRVPVSSYSA-N 0 3 212.322 0.785 20 0 BCADHN C[C@@H]1CN(CCc2c[nH]nn2)CCS1 ZINC000647962624 386738394 /nfs/dbraw/zinc/73/83/94/386738394.db2.gz IOWKOQIVBOSAHT-MRVPVSSYSA-N 0 3 212.322 0.785 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N1CC[C@H](C)C1 ZINC000330404887 386713881 /nfs/dbraw/zinc/71/38/81/386713881.db2.gz HHGLNHNWLHIYGD-IUCAKERBSA-N 0 3 228.292 0.006 20 0 BCADHN CO[C@@]1(C)C[C@@H](NC(=O)CN)C1(C)C ZINC000121682935 386714828 /nfs/dbraw/zinc/71/48/28/386714828.db2.gz CKDAYEYPKKKYJP-XCBNKYQSSA-N 0 3 200.282 0.265 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H](C)C(=O)NCCF ZINC000336760698 386719478 /nfs/dbraw/zinc/71/94/78/386719478.db2.gz MAAIUGPARAZXTQ-DJLDLDEBSA-N 0 3 220.288 0.474 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000269038543 386740314 /nfs/dbraw/zinc/74/03/14/386740314.db2.gz LPSDRIVETPVSER-WDEREUQCSA-N 0 3 249.314 0.457 20 0 BCADHN C[C@@H]1CN(CCc2c[nH]nn2)CC(C)(C)O1 ZINC000647960917 386729870 /nfs/dbraw/zinc/72/98/70/386729870.db2.gz TXNZKQZULXWJMA-SECBINFHSA-N 0 3 224.308 0.847 20 0 BCADHN Cc1ccc(NC(=O)[C@@H](C)N)cc1C(N)=O ZINC000269056147 386745031 /nfs/dbraw/zinc/74/50/31/386745031.db2.gz QVRFKNXAYYDXRI-SSDOTTSWSA-N 0 3 221.260 0.380 20 0 BCADHN CCC[C@H](C(=O)N[C@H]1CC(=O)N(C)C1)N(C)C ZINC000330508634 386745110 /nfs/dbraw/zinc/74/51/10/386745110.db2.gz AOYLMXDIEKGNNG-VHSXEESVSA-N 0 3 241.335 0.064 20 0 BCADHN CC[C@@H]1CC[C@H](C)N(CC(=O)NC(N)=O)C1 ZINC000334635137 386769277 /nfs/dbraw/zinc/76/92/77/386769277.db2.gz HJKMMBKWTBOPNW-DTWKUNHWSA-N 0 3 227.308 0.692 20 0 BCADHN CCN(C)C(=O)CN(C)C1CCC(CO)CC1 ZINC000340700995 386745909 /nfs/dbraw/zinc/74/59/09/386745909.db2.gz LDDBXHLWWIFYDL-UHFFFAOYSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000269064679 386745957 /nfs/dbraw/zinc/74/59/57/386745957.db2.gz MTQBRNFFSGWNDH-VHSXEESVSA-N 0 3 236.319 0.887 20 0 BCADHN COC(=O)[C@@H]1CCN(CC[C@@H](C)O)C[C@@H]1C ZINC000450834727 386746320 /nfs/dbraw/zinc/74/63/20/386746320.db2.gz MESRXSZLNIFXIH-HBNTYKKESA-N 0 3 229.320 0.888 20 0 BCADHN COC(=O)[C@@H]1CCN(CC[C@@H](C)O)C[C@H]1C ZINC000450834726 386746938 /nfs/dbraw/zinc/74/69/38/386746938.db2.gz MESRXSZLNIFXIH-GMTAPVOTSA-N 0 3 229.320 0.888 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC000264406575 386749759 /nfs/dbraw/zinc/74/97/59/386749759.db2.gz FSUPSROSLOBNST-SECBINFHSA-N 0 3 249.318 0.225 20 0 BCADHN C[C@H]1C(=O)N(CCN(C)C)CN1CC1(F)CC1 ZINC000648066064 386755019 /nfs/dbraw/zinc/75/50/19/386755019.db2.gz WWTIPTHLKMOUPE-JTQLQIEISA-N 0 3 243.326 0.540 20 0 BCADHN CC[C@@H](C(=O)NC1CCN(C)CC1)[C@H](C)O ZINC000357308679 386756436 /nfs/dbraw/zinc/75/64/36/386756436.db2.gz QKCGKIKHQFHUJR-GXSJLCMTSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1C[C@H]1CN1CN(CCN(C)C)C(=O)[C@H]1C ZINC000648065939 386756872 /nfs/dbraw/zinc/75/68/72/386756872.db2.gz SWWHMEDVMFFGJU-UTUOFQBUSA-N 0 3 239.363 0.694 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H](O)[C@H]1C)N(C)C ZINC000452723441 386760791 /nfs/dbraw/zinc/76/07/91/386760791.db2.gz XTIWYBFPEGAECK-MXWKQRLJSA-N 0 3 228.336 0.698 20 0 BCADHN CCN(C)CCNC(=O)NC[C@H]1CC[C@H](C)O1 ZINC000458004471 386760871 /nfs/dbraw/zinc/76/08/71/386760871.db2.gz AFFPXNJBXNTUGC-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H](NC[C@@H]1CC[C@@H](CO)O1)c1ccnn1C ZINC000340409456 386761368 /nfs/dbraw/zinc/76/13/68/386761368.db2.gz BBRXJZNALIMPKF-DCAQKATOSA-N 0 3 239.319 0.611 20 0 BCADHN C[C@@H](Cn1cncn1)NC(=O)[C@@H](N)C(C)(C)C ZINC000269228135 386762950 /nfs/dbraw/zinc/76/29/50/386762950.db2.gz BEOSRMXBYKLHAO-DTWKUNHWSA-N 0 3 239.323 0.156 20 0 BCADHN CC[C@H](N)C(=O)NCCn1cnc2ccccc21 ZINC000269238226 386764743 /nfs/dbraw/zinc/76/47/43/386764743.db2.gz OKMLENAPKYTSGJ-JTQLQIEISA-N 0 3 246.314 0.890 20 0 BCADHN O[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1O ZINC000408442608 386765781 /nfs/dbraw/zinc/76/57/81/386765781.db2.gz MHBFLAMJXQNHOH-CHWSQXEVSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@H](N)C(=O)Nc1ccnc(N(C)C)c1 ZINC000269252086 386766456 /nfs/dbraw/zinc/76/64/56/386766456.db2.gz HJJJXWFJDGDMEI-ZETCQYMHSA-N 0 3 208.265 0.433 20 0 BCADHN Cc1cnn(CC(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC000334634796 386767266 /nfs/dbraw/zinc/76/72/66/386767266.db2.gz XPECDTRXDIDTOB-NEPJUHHUSA-N 0 3 248.330 0.354 20 0 BCADHN C[C@@H](O)CNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000192437660 386767906 /nfs/dbraw/zinc/76/79/06/386767906.db2.gz AXJIJQRGUDDSTE-GHMZBOCLSA-N 0 3 243.351 0.398 20 0 BCADHN CN(C)c1cc(NC(=O)C2(N)CC2)ccn1 ZINC000269240527 386768520 /nfs/dbraw/zinc/76/85/20/386768520.db2.gz ARPWUOZEXFMUCQ-UHFFFAOYSA-N 0 3 220.276 0.577 20 0 BCADHN CC(C)CO[C@@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000122320172 386741855 /nfs/dbraw/zinc/74/18/55/386741855.db2.gz SKMGALILZRQPNV-NXEZZACHSA-N 0 3 214.309 0.607 20 0 BCADHN Cc1c(CN2CC[C@@](C)(O)C2)cnn1C ZINC000269044411 386741943 /nfs/dbraw/zinc/74/19/43/386741943.db2.gz WEVUDEVQXZBSDP-LLVKDONJSA-N 0 3 209.293 0.685 20 0 BCADHN O=C(Cc1cc[nH]n1)N[C@H]1CCN(C2CC2)C1 ZINC000344142107 386743365 /nfs/dbraw/zinc/74/33/65/386743365.db2.gz YGODYWNYWXAEHO-JTQLQIEISA-N 0 3 234.303 0.305 20 0 BCADHN Cc1ccc(CNC(=O)[C@@H](N)CC(F)F)cn1 ZINC000336723977 386790377 /nfs/dbraw/zinc/79/03/77/386790377.db2.gz UJBDXCURCCRJDC-VIFPVBQESA-N 0 3 243.257 0.989 20 0 BCADHN O=C(CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)NCC1CC1 ZINC000125300717 386790646 /nfs/dbraw/zinc/79/06/46/386790646.db2.gz IEGQOEQBBHFOIX-TUAOUCFPSA-N 0 3 238.331 0.215 20 0 BCADHN CCCN(C)C(=O)N[C@H](C)CN(C)C ZINC000344893816 386792731 /nfs/dbraw/zinc/79/27/31/386792731.db2.gz CRPQLWUQSSZDFT-SECBINFHSA-N 0 3 201.314 0.988 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000330571437 386794055 /nfs/dbraw/zinc/79/40/55/386794055.db2.gz OBWZKFYTEWGSJU-NXEZZACHSA-N 0 3 241.335 0.958 20 0 BCADHN CO[C@H]1CCN([C@H](C)CN2CCOCC2)C1 ZINC000340877427 386794867 /nfs/dbraw/zinc/79/48/67/386794867.db2.gz SEXROTALEGKNKU-NEPJUHHUSA-N 0 3 228.336 0.428 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2ccco2)C1 ZINC000280242061 386795016 /nfs/dbraw/zinc/79/50/16/386795016.db2.gz KOUFNOUCPPLJAQ-NSHDSACASA-N 0 3 208.261 0.977 20 0 BCADHN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CN2CCN1CCC2 ZINC000428074966 386795790 /nfs/dbraw/zinc/79/57/90/386795790.db2.gz PCIJBOKISCITLC-RNJOBUHISA-N 0 3 249.358 0.291 20 0 BCADHN Cn1cncc1CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000426497650 386770809 /nfs/dbraw/zinc/77/08/09/386770809.db2.gz QXISHMQNFAJJLU-UHFFFAOYSA-N 0 3 247.302 0.737 20 0 BCADHN CC[C@@H](C)NC(=O)CN(C[C@@H](C)O)C(C)C ZINC000340780227 386771824 /nfs/dbraw/zinc/77/18/24/386771824.db2.gz DFUCIVFMWGOZFO-GHMZBOCLSA-N 0 3 230.352 0.992 20 0 BCADHN COC(=O)[C@H]1CSCCN([C@@H]2CCOC2)C1 ZINC000334637088 386772680 /nfs/dbraw/zinc/77/26/80/386772680.db2.gz KWBDNPDLBQURPP-NXEZZACHSA-N 0 3 245.344 0.613 20 0 BCADHN Cc1c[nH]nc1CNCCCc1cnn(C)n1 ZINC000293071878 386772836 /nfs/dbraw/zinc/77/28/36/386772836.db2.gz VLNLQRHBKLYQSL-UHFFFAOYSA-N 0 3 234.307 0.569 20 0 BCADHN CC[C@@H](C(=O)N1C[C@H](O)[C@H](CC)C1)N(C)C ZINC000340775808 386772993 /nfs/dbraw/zinc/77/29/93/386772993.db2.gz NSKWAGTXKAALDR-VWYCJHECSA-N 0 3 228.336 0.556 20 0 BCADHN CO[C@]1(CNC(=O)CN(C)C(C)C)CCOC1 ZINC000330894768 386774446 /nfs/dbraw/zinc/77/44/46/386774446.db2.gz KBZWHOYRUOHJPT-LBPRGKRZSA-N 0 3 244.335 0.248 20 0 BCADHN CC[C@@H](C)NC(=O)CN(C)CCN1CCCC1 ZINC000340845916 386774917 /nfs/dbraw/zinc/77/49/17/386774917.db2.gz ZKFSLGNNUJKMNW-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1COC(C)(C)C1 ZINC000396552763 386775249 /nfs/dbraw/zinc/77/52/49/386775249.db2.gz TZCZERJMSZFALG-VHSXEESVSA-N 0 3 249.376 0.967 20 0 BCADHN O=C(CCN1CC[C@@H](O)C1)NC1CCCC1 ZINC000114486536 386776277 /nfs/dbraw/zinc/77/62/77/386776277.db2.gz OGLVYLYDTNBFAC-LLVKDONJSA-N 0 3 226.320 0.502 20 0 BCADHN CCCCN(C)CCNC(=O)[C@H](O)C(C)C ZINC000352864489 386778938 /nfs/dbraw/zinc/77/89/38/386778938.db2.gz VEJFMPDLSJSIJE-LLVKDONJSA-N 0 3 230.352 0.851 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1cc(C=O)c[nH]1 ZINC000293163944 386783176 /nfs/dbraw/zinc/78/31/76/386783176.db2.gz OVTDPXYFUGUMDL-LLVKDONJSA-N 0 3 249.314 0.993 20 0 BCADHN CC(C(=O)N(C)[C@H]1CCCOC1)S(C)(=O)=O ZINC000340836475 386785693 /nfs/dbraw/zinc/78/56/93/386785693.db2.gz MJXWOJOVJFNCJD-IUCAKERBSA-N 0 3 249.332 0.057 20 0 BCADHN C[C@@H](O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000344870289 386786213 /nfs/dbraw/zinc/78/62/13/386786213.db2.gz SVNPEWUJIVLESO-OUAUKWLOSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@]1(C)CCOC1 ZINC000394988513 386786967 /nfs/dbraw/zinc/78/69/67/386786967.db2.gz CMDYLISLLVMZHJ-GZMMTYOYSA-N 0 3 212.293 0.422 20 0 BCADHN CN(CCO)C[C@@H](O)Cc1ccc(F)cc1 ZINC000293466733 386822859 /nfs/dbraw/zinc/82/28/59/386822859.db2.gz LNQGPKRZJDZFFH-LBPRGKRZSA-N 0 3 227.279 0.653 20 0 BCADHN N[C@H](CC(F)F)C(=O)NC[C@H]1CCCCO1 ZINC000336672439 386823611 /nfs/dbraw/zinc/82/36/11/386823611.db2.gz SQTFWXQQOQMNHO-HTQZYQBOSA-N 0 3 236.262 0.654 20 0 BCADHN CNC(=O)CCCNC(=O)[C@@H](N)CC(C)C ZINC000398428683 386823638 /nfs/dbraw/zinc/82/36/38/386823638.db2.gz YYBXIIWBOOLALS-VIFPVBQESA-N 0 3 229.324 0.002 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cccc2c[nH]nc21 ZINC000344901378 386797095 /nfs/dbraw/zinc/79/70/95/386797095.db2.gz RXRHBENUYWITPX-QMMMGPOBSA-N 0 3 232.287 0.916 20 0 BCADHN CSC[C@@H](O)CN1CCC[C@](O)(C(N)=O)C1 ZINC000330578242 386797263 /nfs/dbraw/zinc/79/72/63/386797263.db2.gz SGPDGOVRYAJSJC-WCBMZHEXSA-N 0 3 248.348 0.072 20 0 BCADHN Cc1cnn(CCN[C@@H]2CCCNC2=O)c1 ZINC000303376977 386798055 /nfs/dbraw/zinc/79/80/55/386798055.db2.gz NYOHTVDURKZWGU-SNVBAGLBSA-N 0 3 222.292 0.060 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccc2c(c1)nnn2C ZINC000344904332 386798385 /nfs/dbraw/zinc/79/83/85/386798385.db2.gz VRFAZAYSZPRHLE-QMMMGPOBSA-N 0 3 247.302 0.322 20 0 BCADHN CS[C@@H]1CN(Cc2c[nH]cn2)C[C@H]1N(C)C ZINC000280293803 386799651 /nfs/dbraw/zinc/79/96/51/386799651.db2.gz UWMVKZJGTQFTJH-GHMZBOCLSA-N 0 3 240.376 0.887 20 0 BCADHN C[C@@H](O)CN1CCN(c2ccc(O)cc2)CC1 ZINC000192962480 386802709 /nfs/dbraw/zinc/80/27/09/386802709.db2.gz UMEJQNUPOLDEPC-LLVKDONJSA-N 0 3 236.315 0.895 20 0 BCADHN COC1(CNCc2cncn2C)CCOCC1 ZINC000344860209 386804028 /nfs/dbraw/zinc/80/40/28/386804028.db2.gz UYUUXQBYLYGZGU-UHFFFAOYSA-N 0 3 239.319 0.705 20 0 BCADHN CC[C@H](CN[C@@H]1CCCS(=O)(=O)C1)OC ZINC000336670425 386804067 /nfs/dbraw/zinc/80/40/67/386804067.db2.gz FRXIEHQOWMKINJ-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN CC[C@@H](C)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000340952522 386804593 /nfs/dbraw/zinc/80/45/93/386804593.db2.gz KASGYNIASFEJLX-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CO[C@@H]1CN(CCc2ccncc2)C[C@H]1O ZINC000395286934 386804941 /nfs/dbraw/zinc/80/49/41/386804941.db2.gz WUMDKDGWRFMWKS-VXGBXAGGSA-N 0 3 222.288 0.316 20 0 BCADHN C[C@@H](O)CN1CCC(N2CCCC2=O)CC1 ZINC000192978794 386806349 /nfs/dbraw/zinc/80/63/49/386806349.db2.gz XCUAQNIOBPBLBK-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN CC(C)[C@](C)(CO)NCC(=O)N(C)CC1CC1 ZINC000352872941 386807116 /nfs/dbraw/zinc/80/71/16/386807116.db2.gz RVHGQAPHGSBIBP-ZDUSSCGKSA-N 0 3 242.363 0.851 20 0 BCADHN COCCNCCNC(=O)N[C@H]1C=CCCC1 ZINC000417865746 386807267 /nfs/dbraw/zinc/80/72/67/386807267.db2.gz CYIGKTKGLIAUJC-NSHDSACASA-N 0 3 241.335 0.630 20 0 BCADHN CCOCCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000340958783 386808136 /nfs/dbraw/zinc/80/81/36/386808136.db2.gz UNRFKAXKGTZGAV-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@@H](C)NC(=O)CN(C)[C@H](C)C(C)(C)O ZINC000395042016 386810626 /nfs/dbraw/zinc/81/06/26/386810626.db2.gz XWUYYGBTQKCRQW-NXEZZACHSA-N 0 3 230.352 0.992 20 0 BCADHN CC[C@H](C)NC(=O)CN(C)[C@@H](C)C(C)(C)O ZINC000395042018 386811017 /nfs/dbraw/zinc/81/10/17/386811017.db2.gz XWUYYGBTQKCRQW-UWVGGRQHSA-N 0 3 230.352 0.992 20 0 BCADHN CO[C@@H]1CN(C[C@H](O)CC2CCCC2)C[C@H]1O ZINC000395309817 386811694 /nfs/dbraw/zinc/81/16/94/386811694.db2.gz ZMRHHWOUEATNMS-JHJVBQTASA-N 0 3 243.347 0.619 20 0 BCADHN CN(C)CCn1ccc(NC(=O)NC2CC2)n1 ZINC000102435771 386812673 /nfs/dbraw/zinc/81/26/73/386812673.db2.gz LKDZQLWMOSZAAP-UHFFFAOYSA-N 0 3 237.307 0.729 20 0 BCADHN C[C@H]1OCC[C@H]1N(CCO)CCn1ccnc1 ZINC000330103648 386827600 /nfs/dbraw/zinc/82/76/00/386827600.db2.gz GLDVUWFRKNHXAL-VXGBXAGGSA-N 0 3 239.319 0.355 20 0 BCADHN CC[C@@H](O)CCCNC(=O)C[C@@H]1CNCCO1 ZINC000398474607 386829000 /nfs/dbraw/zinc/82/90/00/386829000.db2.gz SGNHUARACVUNIH-GHMZBOCLSA-N 0 3 244.335 0.032 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC000330689720 386830158 /nfs/dbraw/zinc/83/01/58/386830158.db2.gz AGQOWGPXPRLKSY-SNVBAGLBSA-N 0 3 236.319 0.505 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000330687489 386830617 /nfs/dbraw/zinc/83/06/17/386830617.db2.gz WECKBGYOFIPGBW-YIZRAAEISA-N 0 3 243.307 0.136 20 0 BCADHN CC(=O)N1CC[C@H](N[C@@H](C)c2ccnn2C)C1 ZINC000408448665 386831871 /nfs/dbraw/zinc/83/18/71/386831871.db2.gz ZCYNFSPLTLVBOQ-ONGXEEELSA-N 0 3 236.319 0.692 20 0 BCADHN C[C@@H](C(=O)N[C@@H](C)CN(C)C)c1cncnc1 ZINC000330692830 386833191 /nfs/dbraw/zinc/83/31/91/386833191.db2.gz ZZYWJXYXIJFMSQ-VHSXEESVSA-N 0 3 236.319 0.646 20 0 BCADHN CC(=O)N1CCN(C[C@@H](O)C(C)(C)C)[C@@H](C)C1 ZINC000334783339 386839352 /nfs/dbraw/zinc/83/93/52/386839352.db2.gz JODHJULRMNYYCD-CMPLNLGQSA-N 0 3 242.363 0.946 20 0 BCADHN CN(Cc1nnc[n-]1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330245129 386839582 /nfs/dbraw/zinc/83/95/82/386839582.db2.gz XMFHKUPODPOECI-JTQLQIEISA-N 0 3 249.318 0.390 20 0 BCADHN CN(Cc1nnc[n-]1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330245129 386839587 /nfs/dbraw/zinc/83/95/87/386839587.db2.gz XMFHKUPODPOECI-JTQLQIEISA-N 0 3 249.318 0.390 20 0 BCADHN CN(Cc1nc[nH]n1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000330245129 386839592 /nfs/dbraw/zinc/83/95/92/386839592.db2.gz XMFHKUPODPOECI-JTQLQIEISA-N 0 3 249.318 0.390 20 0 BCADHN CN(Cc1nnc[nH]1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000330245129 386839595 /nfs/dbraw/zinc/83/95/95/386839595.db2.gz XMFHKUPODPOECI-JTQLQIEISA-N 0 3 249.318 0.390 20 0 BCADHN CCN(C)C(=O)CN(C)C[C@H]1CCCOC1 ZINC000341118172 386839654 /nfs/dbraw/zinc/83/96/54/386839654.db2.gz AYNWVTBNLWLZGP-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN C[C@H]1CCN(CCNC(=O)CCCC(N)=O)C1 ZINC000518874738 386841769 /nfs/dbraw/zinc/84/17/69/386841769.db2.gz VIPZNUCDLJMWJP-JTQLQIEISA-N 0 3 241.335 0.100 20 0 BCADHN CC[C@@H](C(=O)NC[C@@]1(O)CCSC1)N(C)C ZINC000125412223 386842632 /nfs/dbraw/zinc/84/26/32/386842632.db2.gz NQXUWNAGVDXURH-ONGXEEELSA-N 0 3 246.376 0.311 20 0 BCADHN Cc1cnn(C)c1CN[C@H](C)CC(N)=O ZINC000336674576 386847482 /nfs/dbraw/zinc/84/74/82/386847482.db2.gz AGAUTLSQERNQNF-MRVPVSSYSA-N 0 3 210.281 0.082 20 0 BCADHN COC(=O)[C@H](C)N1CCCN(C(C)C)CC1 ZINC000357817955 386847498 /nfs/dbraw/zinc/84/74/98/386847498.db2.gz AAWRBAMNXLNKQN-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN CCN(C)CCNC(=O)N1CCC(OC)CC1 ZINC000339966160 386848276 /nfs/dbraw/zinc/84/82/76/386848276.db2.gz PFXMIMDUQGAYFM-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN C[C@H]1[C@@H](NCc2ncc[nH]2)CCCN1C ZINC000336674655 386848731 /nfs/dbraw/zinc/84/87/31/386848731.db2.gz AGBPPPQHMFHKMZ-UWVGGRQHSA-N 0 3 208.309 0.982 20 0 BCADHN C[C@H](CCO)NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341163071 386850433 /nfs/dbraw/zinc/85/04/33/386850433.db2.gz MERJRDNZDKFAIA-MXWKQRLJSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@@H]1CCN(CCN2CCCS2(=O)=O)[C@@H]1C ZINC000334789398 386850611 /nfs/dbraw/zinc/85/06/11/386850611.db2.gz ANSILCVFAXCNFS-GHMZBOCLSA-N 0 3 246.376 0.752 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CC[C@H]1SC ZINC000425336411 386851868 /nfs/dbraw/zinc/85/18/68/386851868.db2.gz KWBDXLGCSGOOSD-RKDXNWHRSA-N 0 3 216.350 0.948 20 0 BCADHN COC[C@H](CO)N[C@H]1CC[C@H]1SC ZINC000425336510 386852055 /nfs/dbraw/zinc/85/20/55/386852055.db2.gz LIPQLOOLCRSSND-XHNCKOQMSA-N 0 3 205.323 0.477 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@H](C)[C@H]1CO ZINC000349525302 386852471 /nfs/dbraw/zinc/85/24/71/386852471.db2.gz NUOIAFKCNYWGBY-NWDGAFQWSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CO ZINC000349525305 386852657 /nfs/dbraw/zinc/85/26/57/386852657.db2.gz NUOIAFKCNYWGBY-VXGBXAGGSA-N 0 3 242.363 0.946 20 0 BCADHN O=C(CCOC1CNC1)Nc1ccccc1O ZINC000358114489 386891938 /nfs/dbraw/zinc/89/19/38/386891938.db2.gz BBIPSLHZHHULPV-UHFFFAOYSA-N 0 3 236.271 0.709 20 0 BCADHN O=C(CCOC1C[NH2+]C1)Nc1ccccc1[O-] ZINC000358114489 386891945 /nfs/dbraw/zinc/89/19/45/386891945.db2.gz BBIPSLHZHHULPV-UHFFFAOYSA-N 0 3 236.271 0.709 20 0 BCADHN C[C@H](CC(=O)N(C)C)N[C@@H]1CCCN(C)C1=O ZINC000341315092 386893338 /nfs/dbraw/zinc/89/33/38/386893338.db2.gz QNLYAFMWEBJMAM-NXEZZACHSA-N 0 3 241.335 0.064 20 0 BCADHN CC(C)[C@](C)(O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000331753720 386893663 /nfs/dbraw/zinc/89/36/63/386893663.db2.gz CLWMXEXYUHXOAU-MFKMUULPSA-N 0 3 242.363 0.992 20 0 BCADHN CO[C@H](C(=O)N1CCC[C@H](N(C)C)C1)C1CC1 ZINC000349510547 386856623 /nfs/dbraw/zinc/85/66/23/386856623.db2.gz SOUSDFFVNMPIHR-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C[C@H]1O ZINC000331493268 386860289 /nfs/dbraw/zinc/86/02/89/386860289.db2.gz YPELOLMTZZVIDT-CHWFTXMASA-N 0 3 240.347 0.589 20 0 BCADHN COC(=O)CNC(=O)C1CCN(C2CC2)CC1 ZINC000331494871 386860965 /nfs/dbraw/zinc/86/09/65/386860965.db2.gz PBZAOCKYNKBWLC-UHFFFAOYSA-N 0 3 240.303 0.150 20 0 BCADHN CCN1CCC(NC(=O)[C@H](O)C(C)C)CC1 ZINC000349542614 386863510 /nfs/dbraw/zinc/86/35/10/386863510.db2.gz BWZJNFLUUHDMHE-LLVKDONJSA-N 0 3 228.336 0.604 20 0 BCADHN CN(C)CCNc1cncc(C(=O)N(C)C)n1 ZINC000341289840 386863870 /nfs/dbraw/zinc/86/38/70/386863870.db2.gz OHIUTNIFERBUBP-UHFFFAOYSA-N 0 3 237.307 0.152 20 0 BCADHN Cc1c([C@@H](C)NCCn2cncn2)cnn1C ZINC000330720522 386867105 /nfs/dbraw/zinc/86/71/05/386867105.db2.gz WVYGQOFSTQOBHO-SECBINFHSA-N 0 3 234.307 0.671 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cnc[nH]2)CCN1C ZINC000335746243 386867706 /nfs/dbraw/zinc/86/77/06/386867706.db2.gz MVPKDQMZLCNZTR-IUCAKERBSA-N 0 3 222.292 0.622 20 0 BCADHN CO[C@H](C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357940797 386868391 /nfs/dbraw/zinc/86/83/91/386868391.db2.gz AHJYODPMOQTANI-NXEZZACHSA-N 0 3 226.320 0.788 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000367290499 386869154 /nfs/dbraw/zinc/86/91/54/386869154.db2.gz KOCQTUFELGDJEF-SNVBAGLBSA-N 0 3 241.335 0.051 20 0 BCADHN CCCCNC(=O)[C@@H](C)N1CC[C@H](CO)C1 ZINC000051887986 386872836 /nfs/dbraw/zinc/87/28/36/386872836.db2.gz WZPCOFVGTVSHFS-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000052009455 386873738 /nfs/dbraw/zinc/87/37/38/386873738.db2.gz GGMBWDRBPKSMOF-JBLDHEPKSA-N 0 3 228.336 0.924 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@@](C)(O)C1CC1)N(C)C ZINC000349549275 386875565 /nfs/dbraw/zinc/87/55/65/386875565.db2.gz WWRKTCCKMGXPKB-DGCLKSJQSA-N 0 3 242.363 0.850 20 0 BCADHN CN(C)CCN(C)C(=O)c1cnn2ccncc12 ZINC000330772837 386881704 /nfs/dbraw/zinc/88/17/04/386881704.db2.gz WQJCIDYIMDZYHS-UHFFFAOYSA-N 0 3 247.302 0.363 20 0 BCADHN CN(C)CCN(C)C(=O)CCc1c[nH]cn1 ZINC000330771804 386882140 /nfs/dbraw/zinc/88/21/40/386882140.db2.gz VRFHSZURWITNMQ-UHFFFAOYSA-N 0 3 224.308 0.362 20 0 BCADHN CSC[C@@H](C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358061558 386885612 /nfs/dbraw/zinc/88/56/12/386885612.db2.gz GTCOPRNBIQCUJD-MWLCHTKSSA-N 0 3 246.376 0.168 20 0 BCADHN CC(C)[C@H](C)CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358060774 386885710 /nfs/dbraw/zinc/88/57/10/386885710.db2.gz GAOSKLYMABKRSD-DGCLKSJQSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H](CO)N(C)C(=O)NCCN(C)C1CC1 ZINC000331746838 386890200 /nfs/dbraw/zinc/89/02/00/386890200.db2.gz IINKJTHJHVLKCX-VIFPVBQESA-N 0 3 229.324 0.103 20 0 BCADHN CCC[C@H](N)C(=O)NCc1ccc(F)cn1 ZINC000353205956 386890627 /nfs/dbraw/zinc/89/06/27/386890627.db2.gz PCAVDRLFRXOZIS-JTQLQIEISA-N 0 3 225.267 0.964 20 0 BCADHN COC[C@@H](O)CN1CCOCC[C@@H]1C ZINC000367862242 386914002 /nfs/dbraw/zinc/91/40/02/386914002.db2.gz UMSDZLTUJNNPLO-UWVGGRQHSA-N 0 3 203.282 0.105 20 0 BCADHN CN(CCC1CCOCC1)C(=O)[C@@H]1C[C@@H]1N ZINC000331824971 386914513 /nfs/dbraw/zinc/91/45/13/386914513.db2.gz PIFXSRQVTUJEAT-MNOVXSKESA-N 0 3 226.320 0.609 20 0 BCADHN Cn1nnc2cc(CN3CCC[C@@H]3CO)ccc21 ZINC000331828409 386914585 /nfs/dbraw/zinc/91/45/85/386914585.db2.gz JGGDJXGALHJYIX-LLVKDONJSA-N 0 3 246.314 0.925 20 0 BCADHN C[C@H](O)CCNC(=O)[C@H]1CCCN1C1CC1 ZINC000331827642 386914615 /nfs/dbraw/zinc/91/46/15/386914615.db2.gz ZLZQTRNQGGEFQL-GXSJLCMTSA-N 0 3 226.320 0.500 20 0 BCADHN CC(C)c1nc2n(n1)C[C@@H](NC1COC1)CC2 ZINC000367908464 386918117 /nfs/dbraw/zinc/91/81/17/386918117.db2.gz BPCGWNOMPBRBCT-VIFPVBQESA-N 0 3 236.319 0.705 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2(C)COC2)CN1C1CC1 ZINC000335771318 386918158 /nfs/dbraw/zinc/91/81/58/386918158.db2.gz IZADWFXHNDNLJG-ZJUUUORDSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@H]1[C@@H](Nc2nccc(CO)n2)CCCN1C ZINC000341568800 386918434 /nfs/dbraw/zinc/91/84/34/386918434.db2.gz RRBRGMJMTBWNHF-ONGXEEELSA-N 0 3 236.319 0.864 20 0 BCADHN FC1(F)CCNC[C@@H]1NC[C@@H]1CCCOC1 ZINC000334849718 386898243 /nfs/dbraw/zinc/89/82/43/386898243.db2.gz ZIYJCEXRRLKRHK-UWVGGRQHSA-N 0 3 234.290 1.000 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000331773085 386900069 /nfs/dbraw/zinc/90/00/69/386900069.db2.gz NQJOJFMXJZRJMF-NEPJUHHUSA-N 0 3 240.347 0.890 20 0 BCADHN CN1CCC(C(=O)NC[C@H]2CCC[C@@H]2O)CC1 ZINC000334850434 386900087 /nfs/dbraw/zinc/90/00/87/386900087.db2.gz RUKDJAZJUBOBDP-NEPJUHHUSA-N 0 3 240.347 0.605 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000331773088 386900339 /nfs/dbraw/zinc/90/03/39/386900339.db2.gz NQJOJFMXJZRJMF-RYUDHWBXSA-N 0 3 240.347 0.890 20 0 BCADHN CC(C)[C@@H]1CCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000335761354 386901407 /nfs/dbraw/zinc/90/14/07/386901407.db2.gz QTSATSLULVDREL-VHSXEESVSA-N 0 3 247.360 0.924 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)N2CCSCC2)C1 ZINC000335762673 386902636 /nfs/dbraw/zinc/90/26/36/386902636.db2.gz OJJXWWBMLRSAMH-SNVBAGLBSA-N 0 3 243.376 0.791 20 0 BCADHN Cc1nccn1CCN1C[C@@H](O)C2(CC2)C1 ZINC000334853549 386903984 /nfs/dbraw/zinc/90/39/84/386903984.db2.gz XNVPNDZLQZUNPL-LLVKDONJSA-N 0 3 221.304 0.648 20 0 BCADHN C[C@@H](CO)CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331789909 386905917 /nfs/dbraw/zinc/90/59/17/386905917.db2.gz SDYBQIHSRHMYSX-ZJUUUORDSA-N 0 3 241.335 0.151 20 0 BCADHN C[C@H](CNC(=O)c1cc(C=O)c[nH]1)CN(C)C ZINC000293928615 386906373 /nfs/dbraw/zinc/90/63/73/386906373.db2.gz TWMCIHYLZUOAQF-SECBINFHSA-N 0 3 237.303 0.755 20 0 BCADHN CCN(CC)CC(=O)NC[C@H](OC)C1CC1 ZINC000358191016 386910389 /nfs/dbraw/zinc/91/03/89/386910389.db2.gz XSNZWLCCPRMNLA-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H](OC)C1CC1 ZINC000358191015 386911877 /nfs/dbraw/zinc/91/18/77/386911877.db2.gz XSNZWLCCPRMNLA-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1[nH]ncc1CN1CCO[C@@H](CF)C1 ZINC000334865534 386922448 /nfs/dbraw/zinc/92/24/48/386922448.db2.gz UVSAYUMLSQTYDE-JTQLQIEISA-N 0 3 213.256 0.888 20 0 BCADHN Cc1[nH]ncc1CN1CCO[C@H](CF)C1 ZINC000334865535 386922626 /nfs/dbraw/zinc/92/26/26/386922626.db2.gz UVSAYUMLSQTYDE-SNVBAGLBSA-N 0 3 213.256 0.888 20 0 BCADHN Cc1cnn([C@@H]2CCN(CCCO)C2)c1 ZINC000367977426 386923159 /nfs/dbraw/zinc/92/31/59/386923159.db2.gz PPXYEGHPHOYVCA-LLVKDONJSA-N 0 3 209.293 0.821 20 0 BCADHN CCC[C@@]1(CO)CCN(CCn2cncn2)C1 ZINC000367982117 386926203 /nfs/dbraw/zinc/92/62/03/386926203.db2.gz GZXLWSDVHNSONF-GFCCVEGCSA-N 0 3 238.335 0.763 20 0 BCADHN CO[C@@H]1C[C@H](N[C@H]2CCCNC2=O)C12CCC2 ZINC000308390846 386927880 /nfs/dbraw/zinc/92/78/80/386927880.db2.gz JQIQSJGYWCLJCY-GARJFASQSA-N 0 3 238.331 0.812 20 0 BCADHN COC(=O)CCC(C)(C)NCc1cnnn1C ZINC000358292687 386928555 /nfs/dbraw/zinc/92/85/55/386928555.db2.gz VWFQLAPELMGCAD-UHFFFAOYSA-N 0 3 240.307 0.637 20 0 BCADHN CN(CCN1CCCC1)C(=O)[C@](C)(O)C1CC1 ZINC000341600321 386930931 /nfs/dbraw/zinc/93/09/31/386930931.db2.gz UXKARRZOHPWWQC-CYBMUJFWSA-N 0 3 240.347 0.702 20 0 BCADHN CC1CCN(CCNC(=O)N(C)C)CC1 ZINC000334872462 386932796 /nfs/dbraw/zinc/93/27/96/386932796.db2.gz IBNXZCQLLUUERH-UHFFFAOYSA-N 0 3 213.325 0.990 20 0 BCADHN C[C@H]1OCC[C@H]1N(CCO)CCC1(O)CCC1 ZINC000331977722 386934675 /nfs/dbraw/zinc/93/46/75/386934675.db2.gz MOSMCIHGADEEAU-VXGBXAGGSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@@H]1OCC[C@@H]1N(CCO)CCC1(O)CCC1 ZINC000331977721 386934734 /nfs/dbraw/zinc/93/47/34/386934734.db2.gz MOSMCIHGADEEAU-RYUDHWBXSA-N 0 3 243.347 0.763 20 0 BCADHN CC(C)[C@]1(CO)CCN(C[C@H]2CNC(=O)O2)C1 ZINC000368072505 386935267 /nfs/dbraw/zinc/93/52/67/386935267.db2.gz XFIMNAPLGUQLPB-ZYHUDNBSSA-N 0 3 242.319 0.435 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)NCCN1CCCCC1 ZINC000331020932 386935738 /nfs/dbraw/zinc/93/57/38/386935738.db2.gz PBJKHGHBUHZHAI-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](NC(=O)N1CCCNCC1)C(F)(F)F ZINC000334876739 386936045 /nfs/dbraw/zinc/93/60/45/386936045.db2.gz YBKCOCKOOPKXPR-ZETCQYMHSA-N 0 3 239.241 0.942 20 0 BCADHN CC(C)[C@](C)(O)C(=O)NCC1=CCN(C)CC1 ZINC000331019719 386936323 /nfs/dbraw/zinc/93/63/23/386936323.db2.gz JGEIBLKZGQTYKQ-ZDUSSCGKSA-N 0 3 240.347 0.772 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000368073412 386937744 /nfs/dbraw/zinc/93/77/44/386937744.db2.gz RMIWPQYYWRTRMJ-MKPLZMMCSA-N 0 3 248.330 0.817 20 0 BCADHN C[C@H](NC(=O)CC(C)(C)O)C1=CCN(C)CC1 ZINC000330979977 386938493 /nfs/dbraw/zinc/93/84/93/386938493.db2.gz DTCGSWXYVVARIB-JTQLQIEISA-N 0 3 240.347 0.914 20 0 BCADHN Cc1c[nH]nc1CNC[C@@H](CO)c1cccnc1 ZINC000352896212 386939563 /nfs/dbraw/zinc/93/95/63/386939563.db2.gz OPVZMYLEYINUMR-LBPRGKRZSA-N 0 3 246.314 0.979 20 0 BCADHN CC[C@H](O)CC(=O)NC1(CN(C)C)CCC1 ZINC000332007171 386940280 /nfs/dbraw/zinc/94/02/80/386940280.db2.gz CPANCHHVZATAKL-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)[N-]C1=NCCS1 ZINC000368104307 386941145 /nfs/dbraw/zinc/94/11/45/386941145.db2.gz DROBGEQQQSUXKM-RKDXNWHRSA-N 0 3 241.360 0.840 20 0 BCADHN CO[C@H](C)[C@@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000341668996 386942032 /nfs/dbraw/zinc/94/20/32/386942032.db2.gz SZPIJVMLLAXGAD-MXWKQRLJSA-N 0 3 243.351 0.803 20 0 BCADHN CN1CCC(NC(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC000368099324 386942020 /nfs/dbraw/zinc/94/20/20/386942020.db2.gz QIHQFNCOXYFWQE-AAEUAGOBSA-N 0 3 238.331 0.623 20 0 BCADHN CC(C)(C)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000358374150 386943276 /nfs/dbraw/zinc/94/32/76/386943276.db2.gz FCRWMRXJUQRZQA-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN O=C(CC1CCOCC1)NC[C@@H]1C[C@H](F)CN1 ZINC000368182644 386947991 /nfs/dbraw/zinc/94/79/91/386947991.db2.gz YYPDXXKJGIDZNQ-QWRGUYRKSA-N 0 3 244.310 0.619 20 0 BCADHN CCN1CC[C@H](NC(=O)c2cncn2C)C1 ZINC000334823548 386953900 /nfs/dbraw/zinc/95/39/00/386953900.db2.gz JEEBTJSKQLNNTG-VIFPVBQESA-N 0 3 222.292 0.244 20 0 BCADHN CCN(CC)CC(=O)NCC1(O)CCCC1 ZINC000304106582 386955880 /nfs/dbraw/zinc/95/58/80/386955880.db2.gz KECSFICIIZJOOW-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN Cc1ccc(NC(=O)C(=O)NC2CNC2)c(C)c1 ZINC000334826739 386957954 /nfs/dbraw/zinc/95/79/54/386957954.db2.gz VLKMQWYVAZICJD-UHFFFAOYSA-N 0 3 247.298 0.330 20 0 BCADHN CN(CCNC(=O)N1CCO[C@H]2C[C@H]21)C1CC1 ZINC000368304336 386958971 /nfs/dbraw/zinc/95/89/71/386958971.db2.gz LZHWYUFDFBHTLJ-MNOVXSKESA-N 0 3 239.319 0.263 20 0 BCADHN C[C@@H]1C[C@]2(C[C@@H]2C(=O)NCCN(C)C)CCO1 ZINC000368310570 386959066 /nfs/dbraw/zinc/95/90/66/386959066.db2.gz PPMNOYSXHNFSEQ-WZRBSPASSA-N 0 3 240.347 0.869 20 0 BCADHN CCN(CC)CC(=O)N1CCN(CC)C[C@@H]1C ZINC000341777003 386959031 /nfs/dbraw/zinc/95/90/31/386959031.db2.gz OWPQEVZPJQGCGS-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CCN(C)S(=O)(=O)NCC1(N(C)C)CCC1 ZINC000332079667 386959492 /nfs/dbraw/zinc/95/94/92/386959492.db2.gz YZTFNKJRPAQDAD-UHFFFAOYSA-N 0 3 249.380 0.257 20 0 BCADHN CN(C(=O)C1CCN(C)CC1)c1ccn(C)n1 ZINC000358475037 386962738 /nfs/dbraw/zinc/96/27/38/386962738.db2.gz NKEIIEGIICWCTI-UHFFFAOYSA-N 0 3 236.319 0.725 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(CCO)C1CC1 ZINC000358493661 386964723 /nfs/dbraw/zinc/96/47/23/386964723.db2.gz AQSSDYNWCOUXMS-SECBINFHSA-N 0 3 229.324 0.103 20 0 BCADHN CO[C@@H]1CCCN(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000358499187 386966313 /nfs/dbraw/zinc/96/63/13/386966313.db2.gz LIXGWZTURUCSFO-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)C[C@@H]1CCCO1 ZINC000358495315 386967059 /nfs/dbraw/zinc/96/70/59/386967059.db2.gz HXLCBQMPYMNHJK-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@H]1CC[C@H](O)C1 ZINC000358502692 386968136 /nfs/dbraw/zinc/96/81/36/386968136.db2.gz PHNHEYFAJKVGTG-VWYCJHECSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1cnn(C)c1 ZINC000332235620 386968174 /nfs/dbraw/zinc/96/81/74/386968174.db2.gz OFOJHDBFEVOTPO-GXSJLCMTSA-N 0 3 246.318 0.677 20 0 BCADHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1cnn(C)c1 ZINC000332235632 386968248 /nfs/dbraw/zinc/96/82/48/386968248.db2.gz OFOJHDBFEVOTPO-KOLCDFICSA-N 0 3 246.318 0.677 20 0 BCADHN CC(C)[C@H](O)CN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000368390647 386968289 /nfs/dbraw/zinc/96/82/89/386968289.db2.gz BECVAMHUARVBKE-OUAUKWLOSA-N 0 3 242.319 0.434 20 0 BCADHN COC(=O)C(C)(C)CCNCc1cnnn1C ZINC000352922106 386968814 /nfs/dbraw/zinc/96/88/14/386968814.db2.gz NLLYFTXQLSSVQA-UHFFFAOYSA-N 0 3 240.307 0.494 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(CCO)CC1CC1 ZINC000358509487 386969042 /nfs/dbraw/zinc/96/90/42/386969042.db2.gz WDTXNLPKABEWKX-SNVBAGLBSA-N 0 3 243.351 0.350 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(C)[C@@H]1CCC[C@H]1O ZINC000358501813 386969808 /nfs/dbraw/zinc/96/98/08/386969808.db2.gz OJVCDZFGYMZFAW-GMTAPVOTSA-N 0 3 243.351 0.491 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1C[C@H](C)[C@H](CO)C1 ZINC000358510644 386969828 /nfs/dbraw/zinc/96/98/28/386969828.db2.gz WRQXXYQXKZPVDS-AXFHLTTASA-N 0 3 243.351 0.206 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CC[C@](F)(CO)C1 ZINC000358521445 386970794 /nfs/dbraw/zinc/97/07/94/386970794.db2.gz OZPJQNGVLDVHIN-MWLCHTKSSA-N 0 3 247.314 0.052 20 0 BCADHN CN(CCCCCF)CC(=O)N1CCOCC1 ZINC000341834564 386971280 /nfs/dbraw/zinc/97/12/80/386971280.db2.gz LDQSIDXDMUVYGD-UHFFFAOYSA-N 0 3 246.326 0.917 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H](C)CC(C)(C)OC ZINC000352941952 386971608 /nfs/dbraw/zinc/97/16/08/386971608.db2.gz IQYRMQFXMRPOPX-RKDXNWHRSA-N 0 3 232.324 0.280 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCC(C)(C)CCO ZINC000358519050 386972285 /nfs/dbraw/zinc/97/22/85/386972285.db2.gz LDWLHGMBNXIIAH-SNVBAGLBSA-N 0 3 245.367 0.644 20 0 BCADHN CCC[C@@](C)(CO)NC(=O)N[C@@H](C)CN(C)C ZINC000358525613 386973989 /nfs/dbraw/zinc/97/39/89/386973989.db2.gz XBGYRYMTGMWPCH-JQWIXIFHSA-N 0 3 245.367 0.787 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(C)C[C@@H]1CCOC1 ZINC000358526136 386974694 /nfs/dbraw/zinc/97/46/94/386974694.db2.gz OHKZQCKDNNWEIJ-MNOVXSKESA-N 0 3 243.351 0.614 20 0 BCADHN CCC[C@](C)(O)CNC(=O)N[C@@H](C)CN(C)C ZINC000358523087 386974810 /nfs/dbraw/zinc/97/48/10/386974810.db2.gz SJIXKYIJPVXGAN-JQWIXIFHSA-N 0 3 245.367 0.787 20 0 BCADHN O[C@@H]1CN(CC2=CCCOC2)CC12CC2 ZINC000334901055 386975023 /nfs/dbraw/zinc/97/50/23/386975023.db2.gz XOXCKVCNXNJWJN-LLVKDONJSA-N 0 3 209.289 0.790 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CCO[C@H](C)[C@@H]1C ZINC000358535716 386975571 /nfs/dbraw/zinc/97/55/71/386975571.db2.gz XQZAXIHUVMIJFG-OUAUKWLOSA-N 0 3 243.351 0.755 20 0 BCADHN CCNC(=O)CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398733962 386975826 /nfs/dbraw/zinc/97/58/26/386975826.db2.gz MEBQDUHGSDGSCM-AXFHLTTASA-N 0 3 226.320 0.215 20 0 BCADHN Cc1cc(C(=O)N(C)CCN(C)C)nn1C ZINC000358539218 386976132 /nfs/dbraw/zinc/97/61/32/386976132.db2.gz IRRIXGFOULOJLK-UHFFFAOYSA-N 0 3 224.308 0.362 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000352960139 386976947 /nfs/dbraw/zinc/97/69/47/386976947.db2.gz XUKKUTBNTPMHGB-NWDGAFQWSA-N 0 3 240.347 0.698 20 0 BCADHN CCNC(=O)CN[C@H]1CC[C@@H]1SC ZINC000425360760 386977022 /nfs/dbraw/zinc/97/70/22/386977022.db2.gz SWEOMWRLAASPQL-YUMQZZPRSA-N 0 3 202.323 0.606 20 0 BCADHN CCNC(=O)CN[C@@H]1CC[C@H]1SC ZINC000425360757 386977609 /nfs/dbraw/zinc/97/76/09/386977609.db2.gz SWEOMWRLAASPQL-HTQZYQBOSA-N 0 3 202.323 0.606 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCCN(C)C2)CO1 ZINC000353026807 386978849 /nfs/dbraw/zinc/97/88/49/386978849.db2.gz BDNORVUAUMXJIV-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000368503497 386981044 /nfs/dbraw/zinc/98/10/44/386981044.db2.gz LNXAKZCTEWXHLM-GRYCIOLGSA-N 0 3 240.347 0.999 20 0 BCADHN Cc1cc(C(=O)NCCNc2ccncc2)[nH]n1 ZINC000341877854 386982406 /nfs/dbraw/zinc/98/24/06/386982406.db2.gz TVNQTZLGQAONFW-UHFFFAOYSA-N 0 3 245.286 0.377 20 0 BCADHN C[C@@H]1C[C@H](CO)CN(CC(=O)NC(C)(C)C)C1 ZINC000398749156 386984589 /nfs/dbraw/zinc/98/45/89/386984589.db2.gz APDUOTZTUQIHEU-MNOVXSKESA-N 0 3 242.363 0.851 20 0 BCADHN CC(C(=O)N1CCCC1(C)C)S(C)(=O)=O ZINC000114686787 386985115 /nfs/dbraw/zinc/98/51/15/386985115.db2.gz VXTJCUINWFBREH-MRVPVSSYSA-N 0 3 233.333 0.821 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@H](CCO)CC(C)C ZINC000353007869 386986977 /nfs/dbraw/zinc/98/69/77/386986977.db2.gz ZEPBAZLLKABZBK-GHMZBOCLSA-N 0 3 246.351 0.121 20 0 BCADHN CC(F)(F)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000368560504 386986980 /nfs/dbraw/zinc/98/69/80/386986980.db2.gz FKIWFKSHHQKZPL-BDAKNGLRSA-N 0 3 248.273 0.621 20 0 BCADHN C[C@@H](Cn1c(=O)onc1-c1ccncc1)N(C)C ZINC000331203052 386987167 /nfs/dbraw/zinc/98/71/67/386987167.db2.gz RHPRGDQLEMSQLJ-VIFPVBQESA-N 0 3 248.286 0.848 20 0 BCADHN CO[C@@H](CN)C(=O)NCC1(CCO)CCCC1 ZINC000352999444 386987215 /nfs/dbraw/zinc/98/72/15/386987215.db2.gz JBUVFCGSUIGQBH-JTQLQIEISA-N 0 3 244.335 0.019 20 0 BCADHN CN(CCCCCF)[C@H]1CCNC1=O ZINC000341912368 386989344 /nfs/dbraw/zinc/98/93/44/386989344.db2.gz QCFPAOVVPVWIJO-VIFPVBQESA-N 0 3 202.273 0.947 20 0 BCADHN CC[C@H](NC(=O)CN(CC)CC)C(C)(C)O ZINC000358634824 386989621 /nfs/dbraw/zinc/98/96/21/386989621.db2.gz OXASODQJFSEADE-JTQLQIEISA-N 0 3 230.352 0.994 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000368591485 386989765 /nfs/dbraw/zinc/98/97/65/386989765.db2.gz MLDRZMRHVQZGSF-OUAUKWLOSA-N 0 3 226.320 0.574 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000353013349 386990414 /nfs/dbraw/zinc/99/04/14/386990414.db2.gz RBMHUYOOFFMIRX-VDDIYKPWSA-N 0 3 244.335 0.280 20 0 BCADHN CN(C)CCN(C)C(=O)c1cnn2ncccc12 ZINC000331206817 386990479 /nfs/dbraw/zinc/99/04/79/386990479.db2.gz DUCUMMJKAWYUMS-UHFFFAOYSA-N 0 3 247.302 0.363 20 0 BCADHN CCN(CC)CC(=O)NC(C)(C)[C@H](C)O ZINC000332525759 386991505 /nfs/dbraw/zinc/99/15/05/386991505.db2.gz VAHDMNDGIJVHRJ-VIFPVBQESA-N 0 3 216.325 0.604 20 0 BCADHN CCO[C@H](C)C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000368594537 386991693 /nfs/dbraw/zinc/99/16/93/386991693.db2.gz RGWOEDVGNBLPTD-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H]1CC[C@@H]1NC(=O)N1CCCNCC1 ZINC000334921666 386997267 /nfs/dbraw/zinc/99/72/67/386997267.db2.gz NERDBOQYPBWQDE-UWVGGRQHSA-N 0 3 211.309 0.790 20 0 BCADHN CC(C)[C@H](O)CN1CCO[C@@]2(CCOC2)C1 ZINC000368640361 386997759 /nfs/dbraw/zinc/99/77/59/386997759.db2.gz CRRXSFXWBZQJTB-NEPJUHHUSA-N 0 3 229.320 0.495 20 0 BCADHN CN(C)CCNC(=O)NC[C@@H]1CCCSC1 ZINC000358683986 386997835 /nfs/dbraw/zinc/99/78/35/386997835.db2.gz QAWWASBONNVXIN-JTQLQIEISA-N 0 3 245.392 0.990 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)N(C)C ZINC000358709974 386999068 /nfs/dbraw/zinc/99/90/68/386999068.db2.gz AZGHITOUICTBLW-TUAOUCFPSA-N 0 3 241.379 0.878 20 0 BCADHN Cc1nc(C)n(C[C@@H]2CCCN2CCCO)n1 ZINC000368672904 386999862 /nfs/dbraw/zinc/99/98/62/386999862.db2.gz OLJYYNKSNDFMOQ-LBPRGKRZSA-N 0 3 238.335 0.742 20 0 BCADHN FC(F)OC[C@H]1CCN(CCn2cncn2)C1 ZINC000353033160 387000308 /nfs/dbraw/zinc/00/03/08/387000308.db2.gz YMLQUWCTLVUPDW-VIFPVBQESA-N 0 3 246.261 0.839 20 0 BCADHN CSC[C@H](O)CN1C[C@@H](O)C2(CC2)C1 ZINC000368783515 387008806 /nfs/dbraw/zinc/00/88/06/387008806.db2.gz NEGRHOYTEWQVGK-RKDXNWHRSA-N 0 3 217.334 0.167 20 0 BCADHN CC(C)N(CCCCCO)CC(N)=O ZINC000303360299 387002329 /nfs/dbraw/zinc/00/23/29/387002329.db2.gz BQJHYUZCTBOQRU-UHFFFAOYSA-N 0 3 202.298 0.345 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1C(=O)COC1(C)CNC1 ZINC000648101591 387002392 /nfs/dbraw/zinc/00/23/92/387002392.db2.gz GTSXMSLJXYYXLJ-NXEZZACHSA-N 0 3 226.320 0.764 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCCC2)N(CC(N)=O)C1 ZINC000332703104 387003730 /nfs/dbraw/zinc/00/37/30/387003730.db2.gz XMMGWSVZQLPHBK-QWRGUYRKSA-N 0 3 241.335 0.707 20 0 BCADHN C[C@@H](Cn1cncn1)N[C@@H](C)c1ccnn1C ZINC000331330074 387004165 /nfs/dbraw/zinc/00/41/65/387004165.db2.gz HBTUYUCKGFLJGI-UWVGGRQHSA-N 0 3 234.307 0.751 20 0 BCADHN O=C1NCCC[C@H]1N1CC[C@@]2(C1)CCCOC2 ZINC000341978559 387004266 /nfs/dbraw/zinc/00/42/66/387004266.db2.gz AMQVEGHQFOHBEO-DGCLKSJQSA-N 0 3 238.331 0.768 20 0 BCADHN CC(C)OCCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418020218 387004372 /nfs/dbraw/zinc/00/43/72/387004372.db2.gz MQOUVWAFPXUQML-MNOVXSKESA-N 0 3 243.351 0.803 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H](CCO)c1ccccc1 ZINC000341974919 387004715 /nfs/dbraw/zinc/00/47/15/387004715.db2.gz WEEUWKUFMVONFJ-JQWIXIFHSA-N 0 3 236.315 0.964 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)N1CCCNCC1 ZINC000334930044 387005354 /nfs/dbraw/zinc/00/53/54/387005354.db2.gz NBRURUHYLRNZQF-NXEZZACHSA-N 0 3 211.309 0.790 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2ccncc2)C1 ZINC000334821666 386949188 /nfs/dbraw/zinc/94/91/88/386949188.db2.gz BSYPMAVVXCWFLO-LLVKDONJSA-N 0 3 219.288 0.906 20 0 BCADHN O=C1NC[C@H]2CN(Cc3cc[nH]c3)CC[C@H]12 ZINC000368217519 386950177 /nfs/dbraw/zinc/95/01/77/386950177.db2.gz YOTITLBVPHXRKK-QWRGUYRKSA-N 0 3 219.288 0.583 20 0 BCADHN C[C@H]1CCCCN1C(=O)NC[C@H]1CNCCO1 ZINC000334953620 387030565 /nfs/dbraw/zinc/03/05/65/387030565.db2.gz RSYDJUAZWBMSLS-WDEREUQCSA-N 0 3 241.335 0.559 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@H](C)C(=O)NCCF ZINC000425380409 387031900 /nfs/dbraw/zinc/03/19/00/387031900.db2.gz LRYVYBLQJBDNMZ-HRDYMLBCSA-N 0 3 234.340 0.944 20 0 BCADHN O=C(NCC(F)F)N[C@@H]1CNCCC1(F)F ZINC000334953851 387032006 /nfs/dbraw/zinc/03/20/06/387032006.db2.gz VMQDWLNBLBSXAT-RXMQYKEDSA-N 0 3 243.204 0.548 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000353053338 387032778 /nfs/dbraw/zinc/03/27/78/387032778.db2.gz UEIDNHFHRJODFK-MNOVXSKESA-N 0 3 244.335 0.234 20 0 BCADHN C[C@@H](O)CCN1CCCC[C@@H]1C(N)=O ZINC000425383404 387033757 /nfs/dbraw/zinc/03/37/57/387033757.db2.gz KXNQPOYBTIRCDX-RKDXNWHRSA-N 0 3 200.282 0.097 20 0 BCADHN CN(CC1CCOCC1)C(=O)[C@H](N)C1CCC1 ZINC000398982080 387034192 /nfs/dbraw/zinc/03/41/92/387034192.db2.gz DVJNREDACRHRGA-GFCCVEGCSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@@H]1OCC[C@]12CN(CCCCO)CCO2 ZINC000369292615 387034997 /nfs/dbraw/zinc/03/49/97/387034997.db2.gz GMGCJHNUIUMKEV-RYUDHWBXSA-N 0 3 229.320 0.639 20 0 BCADHN Cn1nncc1CN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333448672 387035451 /nfs/dbraw/zinc/03/54/51/387035451.db2.gz YAKHYZPOMJNWLW-HOSYDEDBSA-N 0 3 236.319 0.408 20 0 BCADHN N[C@@H](C(=O)NCCN1CCCCC1)C1CCC1 ZINC000399007858 387035837 /nfs/dbraw/zinc/03/58/37/387035837.db2.gz ANIBOUNFTSGIAQ-GFCCVEGCSA-N 0 3 239.363 0.716 20 0 BCADHN CC(C)C1(NC(=O)NC[C@H]2CNCCO2)CC1 ZINC000333491311 387039188 /nfs/dbraw/zinc/03/91/88/387039188.db2.gz GTTBVJLVOSQVGH-SNVBAGLBSA-N 0 3 241.335 0.463 20 0 BCADHN CSC(C)(C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188583457 387040273 /nfs/dbraw/zinc/04/02/73/387040273.db2.gz BKRFFECQGAMQMF-JGVFFNPUSA-N 0 3 234.340 0.944 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000582998161 387041033 /nfs/dbraw/zinc/04/10/33/387041033.db2.gz HAHXTPQAGSJFBH-LLVKDONJSA-N 0 3 236.319 0.436 20 0 BCADHN CCOCC[C@@H](O)CN1CCCO[C@H](C)C1 ZINC000369365933 387041251 /nfs/dbraw/zinc/04/12/51/387041251.db2.gz HZGMWCLUAUSXNJ-VXGBXAGGSA-N 0 3 231.336 0.885 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)[C@H]1CCCN1C ZINC000334960702 387041490 /nfs/dbraw/zinc/04/14/90/387041490.db2.gz XFGGIWQHQNKIED-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN Cc1nc(C)n([C@H]2CCCN(C[C@@H](C)O)C2)n1 ZINC000369390346 387041618 /nfs/dbraw/zinc/04/16/18/387041618.db2.gz ZJEIFHFYILKIJI-SKDRFNHKSA-N 0 3 238.335 0.913 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@@H](c2nnc[nH]2)C1 ZINC000333533857 387042515 /nfs/dbraw/zinc/04/25/15/387042515.db2.gz YPDKQFFSRFXLTL-SNVBAGLBSA-N 0 3 246.318 0.836 20 0 BCADHN C[C@H]1CN(C(=O)C23CCCN2CCC3)CCO1 ZINC000334979060 387066721 /nfs/dbraw/zinc/06/67/21/387066721.db2.gz WXHXWHDBJURPOB-NSHDSACASA-N 0 3 238.331 0.862 20 0 BCADHN C[C@@H]1OCC[C@@]12CN(CCCO)C[C@@H](C)O2 ZINC000369406352 387044137 /nfs/dbraw/zinc/04/41/37/387044137.db2.gz AIPCRVWOMAUPJK-GRYCIOLGSA-N 0 3 229.320 0.637 20 0 BCADHN CC(C)[C@H]1CCN1C(=O)NC[C@H]1CNCCO1 ZINC000333607862 387045925 /nfs/dbraw/zinc/04/59/25/387045925.db2.gz XPFFGMKYSAJQDW-GHMZBOCLSA-N 0 3 241.335 0.415 20 0 BCADHN O=C(CN1CCCO[C@H]2CCC[C@@H]21)N1CCC1 ZINC000369473373 387046010 /nfs/dbraw/zinc/04/60/10/387046010.db2.gz SGVQGSCZOLFDQU-RYUDHWBXSA-N 0 3 238.331 0.862 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC[C@@H](O)C(C)(C)C ZINC000324390403 387046675 /nfs/dbraw/zinc/04/66/75/387046675.db2.gz YSCPIQNXUCTINV-VHSXEESVSA-N 0 3 230.352 0.883 20 0 BCADHN O=C(CN1CCCO[C@@H]2CCC[C@H]21)N1CCC1 ZINC000369473374 387046847 /nfs/dbraw/zinc/04/68/47/387046847.db2.gz SGVQGSCZOLFDQU-VXGBXAGGSA-N 0 3 238.331 0.862 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCC1(O)CCC1 ZINC000333734664 387052283 /nfs/dbraw/zinc/05/22/83/387052283.db2.gz URHNNMZEGLWZJL-NXEZZACHSA-N 0 3 215.293 0.295 20 0 BCADHN CCC[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000333707922 387052778 /nfs/dbraw/zinc/05/27/78/387052778.db2.gz FCTQGAGGOINKIA-VWYCJHECSA-N 0 3 241.335 0.463 20 0 BCADHN COC[C@@H](C)N1CCNC[C@](C)(F)C1 ZINC000334969268 387053443 /nfs/dbraw/zinc/05/34/43/387053443.db2.gz BLGALAKQSLDRTL-ZJUUUORDSA-N 0 3 204.289 0.655 20 0 BCADHN CCN1CCC(NC(=O)[C@@](C)(O)C2CC2)CC1 ZINC000359096066 387055029 /nfs/dbraw/zinc/05/50/29/387055029.db2.gz RWAMJCIUDTUATA-ZDUSSCGKSA-N 0 3 240.347 0.748 20 0 BCADHN CO[C@@H](C)CNC(=O)NC[C@@H]1CCCN1C ZINC000334099591 387057274 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CC(C)OCC[C@H](O)CN[C@@H](C)C(=O)N(C)C ZINC000572149925 387242899 /nfs/dbraw/zinc/24/28/99/387242899.db2.gz ZJYCEUPOQATWNN-QWRGUYRKSA-N 0 3 246.351 0.229 20 0 BCADHN CC[C@@H](C(=O)NCCOCC(F)F)N(C)C ZINC000188054394 387244173 /nfs/dbraw/zinc/24/41/73/387244173.db2.gz WVXMSMGNWKWHDV-QMMMGPOBSA-N 0 3 238.278 0.725 20 0 BCADHN CC(C)N(C)CC(=O)NCCOCC(F)F ZINC000188043136 387245178 /nfs/dbraw/zinc/24/51/78/387245178.db2.gz VMMVKYAEABGPHW-UHFFFAOYSA-N 0 3 238.278 0.725 20 0 BCADHN CC(C)C(=O)NCCCNCc1cncn1C ZINC000120463746 387247871 /nfs/dbraw/zinc/24/78/71/387247871.db2.gz KQGYEVQZICJUFE-UHFFFAOYSA-N 0 3 238.335 0.672 20 0 BCADHN C[C@H](CNC(=O)Cc1cncnc1)N(C)C ZINC000352486044 387248249 /nfs/dbraw/zinc/24/82/49/387248249.db2.gz LPUCNVIOKUJWNS-SECBINFHSA-N 0 3 222.292 0.085 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000353647363 387248551 /nfs/dbraw/zinc/24/85/51/387248551.db2.gz UIIMXXQBHOZWCN-ONGXEEELSA-N 0 3 241.335 0.095 20 0 BCADHN Cc1ccc(CN2CC[C@](O)(C(N)=O)C2)cc1C ZINC000285002012 387248966 /nfs/dbraw/zinc/24/89/66/387248966.db2.gz LQIXSYLTTHOCDL-CQSZACIVSA-N 0 3 248.326 0.726 20 0 BCADHN CC[C@](C)(CO)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000571896317 387195228 /nfs/dbraw/zinc/19/52/28/387195228.db2.gz XFFUMOPGHPAZJB-DGCLKSJQSA-N 0 3 242.363 0.948 20 0 BCADHN Cn1nncc1CN1CC[C@H](N2CCCCC2)C1 ZINC000353420587 387196703 /nfs/dbraw/zinc/19/67/03/387196703.db2.gz SENUBICNRZLYAN-LBPRGKRZSA-N 0 3 249.362 0.875 20 0 BCADHN COC[C@H](NC(=O)C(N)C(F)(F)F)C1CC1 ZINC000353423270 387198773 /nfs/dbraw/zinc/19/87/73/387198773.db2.gz CVRXXKCQNSLZJP-NKWVEPMBSA-N 0 3 240.225 0.417 20 0 BCADHN COC[C@@H](NC(=O)C(N)C(F)(F)F)C1CC1 ZINC000353423271 387198930 /nfs/dbraw/zinc/19/89/30/387198930.db2.gz CVRXXKCQNSLZJP-RNFRBKRXSA-N 0 3 240.225 0.417 20 0 BCADHN NC(C(=O)NCc1cscn1)C(F)(F)F ZINC000353429277 387199829 /nfs/dbraw/zinc/19/98/29/387199829.db2.gz OXMSHPOAQFUSLX-RXMQYKEDSA-N 0 3 239.222 0.649 20 0 BCADHN O=C(CN1CC2CCC1CC2)N1CCOCC1 ZINC000371390015 387200405 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/nfs/dbraw/zinc/43/87/71/387438771.db2.gz YXIVETDSBMZZGF-HBNTYKKESA-N 0 3 228.336 0.855 20 0 BCADHN C[C@H](O)CCCN1CCC[C@@H]1C(=O)NC1CC1 ZINC000354860186 387439103 /nfs/dbraw/zinc/43/91/03/387439103.db2.gz PDUOXMYSAFTMDQ-CMPLNLGQSA-N 0 3 240.347 0.890 20 0 BCADHN NCC(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000423867611 387439624 /nfs/dbraw/zinc/43/96/24/387439624.db2.gz GEORLFWXLVVFFJ-UHFFFAOYSA-N 0 3 232.205 0.721 20 0 BCADHN CN([C@@H]1CCC[C@@H]1O)[C@@H]1CCCCNC1=O ZINC000352697585 387440661 /nfs/dbraw/zinc/44/06/61/387440661.db2.gz LGGWXJHQAZMEGM-MXWKQRLJSA-N 0 3 226.320 0.500 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000423876222 387441590 /nfs/dbraw/zinc/44/15/90/387441590.db2.gz RYNRDSIYQQOOKW-MXWKQRLJSA-N 0 3 228.336 0.589 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@@H](CCO)C1 ZINC000051896424 387441634 /nfs/dbraw/zinc/44/16/34/387441634.db2.gz XALCGKGSDORYOM-LBPRGKRZSA-N 0 3 242.363 0.949 20 0 BCADHN CN(CCN1CCCOCC1)C[C@H]1CCCO1 ZINC000361334682 387442086 /nfs/dbraw/zinc/44/20/86/387442086.db2.gz HEYXSKQNLORNKC-CYBMUJFWSA-N 0 3 242.363 0.820 20 0 BCADHN CC(C)[C@H](O)C1(CNC(=O)C2(N)CCC2)CC1 ZINC000423869232 387442221 /nfs/dbraw/zinc/44/22/21/387442221.db2.gz IGFMVUIEOIPTTQ-JTQLQIEISA-N 0 3 240.347 0.781 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000423876225 387442774 /nfs/dbraw/zinc/44/27/74/387442774.db2.gz RYNRDSIYQQOOKW-VWYCJHECSA-N 0 3 228.336 0.589 20 0 BCADHN CC[C@H](N)C(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000423875187 387443094 /nfs/dbraw/zinc/44/30/94/387443094.db2.gz HVFDRIDYEAWQHC-VHSXEESVSA-N 0 3 230.352 0.883 20 0 BCADHN CC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000374322140 387443464 /nfs/dbraw/zinc/44/34/64/387443464.db2.gz BVRCTKUZUYTXAS-WCQYABFASA-N 0 3 239.363 0.491 20 0 BCADHN C[C@@H]1C[C@H](O)CN1CCN1CCCOCC1 ZINC000361344551 387443900 /nfs/dbraw/zinc/44/39/00/387443900.db2.gz BATUQMJPIFYXTH-NEPJUHHUSA-N 0 3 228.336 0.164 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000423890516 387446939 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OUNOKMPXEZFACW-VXGBXAGGSA-N 0 3 240.347 0.823 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374411973 387450801 /nfs/dbraw/zinc/45/08/01/387450801.db2.gz OUNOKMPXEZFACW-NEPJUHHUSA-N 0 3 240.347 0.823 20 0 BCADHN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)[C@H]1CCCCN1 ZINC000423920559 387451277 /nfs/dbraw/zinc/45/12/77/387451277.db2.gz GSZAOOCFUNSFIE-KKOKHZNYSA-N 0 3 238.331 0.812 20 0 BCADHN CO[C@H]1CC[C@@H](NC(=O)CCOC2CNC2)C1 ZINC000516048673 387451306 /nfs/dbraw/zinc/45/13/06/387451306.db2.gz UPAOCSQYUZQTPA-ZJUUUORDSA-N 0 3 242.319 0.049 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000423924438 387451514 /nfs/dbraw/zinc/45/15/14/387451514.db2.gz MHXVWUWINNSQAD-NRPADANISA-N 0 3 214.309 0.653 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)[C@@H](N)C(C)(C)C ZINC000423929716 387453769 /nfs/dbraw/zinc/45/37/69/387453769.db2.gz UTEXKVBATFJKGZ-DJLDLDEBSA-N 0 3 216.325 0.899 20 0 BCADHN CO[C@]1(C)CCCN(CC(=O)NC(N)=O)CC1 ZINC000373647585 387385108 /nfs/dbraw/zinc/38/51/08/387385108.db2.gz MWSWMIRCYNOBLF-LLVKDONJSA-N 0 3 243.307 0.072 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@H](O)C1(C)C ZINC000572397774 387385166 /nfs/dbraw/zinc/38/51/66/387385166.db2.gz MBOYATYDHLNLQK-JTQLQIEISA-N 0 3 243.351 0.539 20 0 BCADHN CNC(=O)[C@@H]1CN([C@H](C)CC(C)C)CCO1 ZINC000445422630 387386607 /nfs/dbraw/zinc/38/66/07/387386607.db2.gz PALADTLFBNCRIQ-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN NCC(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000515483671 387386798 /nfs/dbraw/zinc/38/67/98/387386798.db2.gz AHWVFVXHVUGXDE-JTQLQIEISA-N 0 3 212.293 0.363 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)nc(C)n1 ZINC000423613346 387387904 /nfs/dbraw/zinc/38/79/04/387387904.db2.gz PCTNIGCQTYLXKM-ZJUUUORDSA-N 0 3 248.330 0.916 20 0 BCADHN C[C@@H]1C[C@H](CN(C)[C@@H]2CCNC2=O)CCO1 ZINC000352628176 387389906 /nfs/dbraw/zinc/38/99/06/387389906.db2.gz JVMUBCXWYUGUNA-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@H](C)NC ZINC000515499620 387391013 /nfs/dbraw/zinc/39/10/13/387391013.db2.gz MSLCZGVCSZWUEW-VGMNWLOBSA-N 0 3 230.308 0.298 20 0 BCADHN CC(C)CN(C)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000423653873 387392371 /nfs/dbraw/zinc/39/23/71/387392371.db2.gz RRNWCKMXRVBUDX-SNVBAGLBSA-N 0 3 241.335 0.051 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2NCCC(N)=O ZINC000036746780 387392406 /nfs/dbraw/zinc/39/24/06/387392406.db2.gz ZTLFPSNFHPXHTA-VIFPVBQESA-N 0 3 222.292 0.263 20 0 BCADHN C[C@H](C[C@H](C)O)NCc1cnc(N(C)C)nc1 ZINC000361027034 387392771 /nfs/dbraw/zinc/39/27/71/387392771.db2.gz AJNNOSYRBQIADU-ZJUUUORDSA-N 0 3 238.335 0.792 20 0 BCADHN CC[C@@H](C(=O)N(C)CCN(C)C)N(C)C ZINC000121673037 387393024 /nfs/dbraw/zinc/39/30/24/387393024.db2.gz TUKIXJSLVVKZMB-JTQLQIEISA-N 0 3 215.341 0.347 20 0 BCADHN CC(C)(C)NC(=O)CN1CCC[C@@H]1CCO ZINC000303743013 387395602 /nfs/dbraw/zinc/39/56/02/387395602.db2.gz WXWNSMFDKCKEOL-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC(N)=O ZINC000361061936 387396411 /nfs/dbraw/zinc/39/64/11/387396411.db2.gz VOENUZPOEHUGHO-VHSXEESVSA-N 0 3 241.335 0.241 20 0 BCADHN CC(C)[C@H](O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000352635268 387402630 /nfs/dbraw/zinc/40/26/30/387402630.db2.gz CBVYQMJKKPSTTM-KOLCDFICSA-N 0 3 228.336 0.602 20 0 BCADHN COC[C@@H](C)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000354614612 387402904 /nfs/dbraw/zinc/40/29/04/387402904.db2.gz AVGFTPIQZNFUQH-NXEZZACHSA-N 0 3 241.335 0.557 20 0 BCADHN COC[C@H](C)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000354614613 387403675 /nfs/dbraw/zinc/40/36/75/387403675.db2.gz AVGFTPIQZNFUQH-UWVGGRQHSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H]1[C@H](NC(=O)COC(F)F)CCCN1C ZINC000354622576 387404999 /nfs/dbraw/zinc/40/49/99/387404999.db2.gz ZJWFRTOLZITKJC-HTQZYQBOSA-N 0 3 236.262 0.825 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(CC)CC(=O)OC ZINC000423746317 387406559 /nfs/dbraw/zinc/40/65/59/387406559.db2.gz QULGBDSWOURBOA-WCBMZHEXSA-N 0 3 230.308 0.381 20 0 BCADHN CO[C@@H](C)CCNC(=O)N[C@H](C)CN(C)C ZINC000352645546 387406752 /nfs/dbraw/zinc/40/67/52/387406752.db2.gz ISLXSPLHFGUKGU-ZJUUUORDSA-N 0 3 231.340 0.661 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@@H](C)NC1CC1 ZINC000423743515 387406933 /nfs/dbraw/zinc/40/69/33/387406933.db2.gz MSNNUERUWMUWOO-MRVPVSSYSA-N 0 3 228.292 0.148 20 0 BCADHN O=C1CO[C@@H]2CCN(C3CCCC3)C[C@@H]2N1 ZINC000373969233 387408491 /nfs/dbraw/zinc/40/84/91/387408491.db2.gz PXBMLUBYLQWYLH-WDEREUQCSA-N 0 3 224.304 0.518 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@@](C)(O)c1ccsc1 ZINC000267296885 387411133 /nfs/dbraw/zinc/41/11/33/387411133.db2.gz ZKHXQHHYCCJFRF-GZMMTYOYSA-N 0 3 242.344 0.809 20 0 BCADHN CC(C)C[C@H]([NH3+])C(=O)NCc1ncccc1[O-] ZINC000423755612 387412328 /nfs/dbraw/zinc/41/23/28/387412328.db2.gz IATYMGONCZUQLT-VIFPVBQESA-N 0 3 237.303 0.777 20 0 BCADHN CC(C)(C)OC[C@H](O)CN1CCCOCC1 ZINC000374026486 387412954 /nfs/dbraw/zinc/41/29/54/387412954.db2.gz GMZVWPVPMRJNQU-LLVKDONJSA-N 0 3 231.336 0.885 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CCCC[C@@H](CO)C1 ZINC000374038424 387412984 /nfs/dbraw/zinc/41/29/84/387412984.db2.gz AUBYOUMNIUDJGH-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CC/C=C/CCN1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000374023419 387413067 /nfs/dbraw/zinc/41/30/67/387413067.db2.gz NSDIMXZWHSSAGX-LXYZTQFVSA-N 0 3 238.331 0.932 20 0 BCADHN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000423759554 387413603 /nfs/dbraw/zinc/41/36/03/387413603.db2.gz IBQPOYHRMVVWEP-GUBZILKMSA-N 0 3 244.335 0.674 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000423758685 387413826 /nfs/dbraw/zinc/41/38/26/387413826.db2.gz GJFWHVQLJQUYBG-SKDRFNHKSA-N 0 3 243.351 0.391 20 0 BCADHN CC[C@@H](C(N)=O)N1CCCC[C@@H](CO)C1 ZINC000374053308 387414316 /nfs/dbraw/zinc/41/43/16/387414316.db2.gz XWQOLVHYDVAZRP-ZJUUUORDSA-N 0 3 214.309 0.345 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000423759560 387414844 /nfs/dbraw/zinc/41/48/44/387414844.db2.gz IBQPOYHRMVVWEP-UTLUCORTSA-N 0 3 244.335 0.674 20 0 BCADHN CC(C)N(CC(=O)N(C)CC1CC1)C[C@H](C)O ZINC000303980469 387419643 /nfs/dbraw/zinc/41/96/43/387419643.db2.gz FIWDHRKUUGPONM-NSHDSACASA-N 0 3 242.363 0.946 20 0 BCADHN Cc1cccc(CNCCc2nnnn2C)c1F ZINC000648493016 387419988 /nfs/dbraw/zinc/41/99/88/387419988.db2.gz BPNLNCOSGVRZPJ-UHFFFAOYSA-N 0 3 249.293 0.990 20 0 BCADHN CCOC[C@@H](NC(=O)COC1CNC1)C(C)C ZINC000423772535 387420192 /nfs/dbraw/zinc/42/01/92/387420192.db2.gz HWKHTHDTFKSXHC-LLVKDONJSA-N 0 3 244.335 0.152 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N(C)[C@@H]1CC1(C)C ZINC000423770554 387420318 /nfs/dbraw/zinc/42/03/18/387420318.db2.gz GTYBXOXCFZKPEL-DTWKUNHWSA-N 0 3 242.319 0.524 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H](C)N1C ZINC000572427443 387420751 /nfs/dbraw/zinc/42/07/51/387420751.db2.gz OPVDKIBMKBUFDR-GRYCIOLGSA-N 0 3 239.363 0.632 20 0 BCADHN CCC[C@H]1CN(C(=O)[C@H](N)C(C)C)CCO1 ZINC000423772359 387421116 /nfs/dbraw/zinc/42/11/16/387421116.db2.gz KBXWUJZQVNPIHM-WDEREUQCSA-N 0 3 228.336 0.997 20 0 BCADHN Cc1[nH]nc2ncc(NC(=O)[C@H]3CCN3)cc12 ZINC000423770081 387421144 /nfs/dbraw/zinc/42/11/44/387421144.db2.gz ZFOIWQOPGBKICA-SECBINFHSA-N 0 3 231.259 0.567 20 0 BCADHN Cc1ccc(NC(=O)C2(N)CC2)c(=O)[nH]1 ZINC000423770069 387421207 /nfs/dbraw/zinc/42/12/07/387421207.db2.gz HBVXXGGIYNXZDA-UHFFFAOYSA-N 0 3 207.233 0.525 20 0 BCADHN CCc1ccc(CNCC2(CO)COC2)o1 ZINC000269524507 387421425 /nfs/dbraw/zinc/42/14/25/387421425.db2.gz YJLFWWVZIVZCIG-UHFFFAOYSA-N 0 3 225.288 0.941 20 0 BCADHN CCN(C[C@H](C)OC)[C@@H](C)C(=O)NC(=O)NC ZINC000361563390 387493659 /nfs/dbraw/zinc/49/36/59/387493659.db2.gz ICWIGBCGMZPZKY-IUCAKERBSA-N 0 3 245.323 0.187 20 0 BCADHN CCN(CCN1CCCC1=O)C[C@H](C)OC ZINC000361565267 387493738 /nfs/dbraw/zinc/49/37/38/387493738.db2.gz NMWXJCNCOLEHAP-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN Cc1cc(C[C@H](C)NC(=O)C(C)(C)N)[nH]n1 ZINC000516286524 387494903 /nfs/dbraw/zinc/49/49/03/387494903.db2.gz WMSOYHSGJUDEEL-ZETCQYMHSA-N 0 3 224.308 0.503 20 0 BCADHN Cc1nnc(C2CCN([C@H](C)C(N)=O)CC2)[nH]1 ZINC000361569648 387495311 /nfs/dbraw/zinc/49/53/11/387495311.db2.gz TUOLLRHVKLRMII-SSDOTTSWSA-N 0 3 237.307 0.166 20 0 BCADHN CO[C@H](C)CC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000374876437 387496330 /nfs/dbraw/zinc/49/63/30/387496330.db2.gz NVEQKELRMNRYKJ-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(C[C@@H](C)OC)[C@H]1CCNC1=O ZINC000361576961 387497827 /nfs/dbraw/zinc/49/78/27/387497827.db2.gz KJELIUDHCWWAAS-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN COC(=O)c1ccc(CNC(=O)[C@H](C)N)cc1 ZINC000040428834 387497875 /nfs/dbraw/zinc/49/78/75/387497875.db2.gz NOKSFYIOPVPMFS-QMMMGPOBSA-N 0 3 236.271 0.437 20 0 BCADHN CC[C@H](OC)C(=O)N(CCOC)CCN(C)C ZINC000355209832 387498065 /nfs/dbraw/zinc/49/80/65/387498065.db2.gz KONXXYHXZXCNMB-NSHDSACASA-N 0 3 246.351 0.448 20 0 BCADHN COC(=O)CCCN(CCO)[C@@H]1CCO[C@@H]1C ZINC000361578751 387498570 /nfs/dbraw/zinc/49/85/70/387498570.db2.gz PRIMPHPBOVCQIA-GHMZBOCLSA-N 0 3 245.319 0.411 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1COC(C)(C)C1 ZINC000396812371 387499855 /nfs/dbraw/zinc/49/98/55/387499855.db2.gz DCTOLXAAQSHSMZ-VIFPVBQESA-N 0 3 214.309 0.668 20 0 BCADHN CCN(C[C@H](C)OC)[C@H]1CCNC1=O ZINC000361576963 387499924 /nfs/dbraw/zinc/49/99/24/387499924.db2.gz KJELIUDHCWWAAS-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN CCCC(=O)N(CCOC)CCN(C)C ZINC000355227965 387500165 /nfs/dbraw/zinc/50/01/65/387500165.db2.gz VMTPSKGLIQWIJZ-UHFFFAOYSA-N 0 3 216.325 0.823 20 0 BCADHN C[C@@H](NC(=O)[C@H]1NCC1(C)C)c1ncon1 ZINC000648110439 387503696 /nfs/dbraw/zinc/50/36/96/387503696.db2.gz KJLSMKDSSOTROB-RNFRBKRXSA-N 0 3 224.264 0.245 20 0 BCADHN CC(C)N1CC[C@@H](N2CCC[C@H](CO)C2)C1=O ZINC000304697655 387504390 /nfs/dbraw/zinc/50/43/90/387504390.db2.gz ISKRQLFURFGJPL-NWDGAFQWSA-N 0 3 240.347 0.700 20 0 BCADHN O=C1[C@H](N2CCC[C@H](CO)C2)CCN1C1CC1 ZINC000304716640 387505306 /nfs/dbraw/zinc/50/53/06/387505306.db2.gz NGVOLGSMCIZAHF-CMPLNLGQSA-N 0 3 238.331 0.454 20 0 BCADHN Cc1c[nH]nc1CNCCCNC(=O)C(C)C ZINC000352812201 387505830 /nfs/dbraw/zinc/50/58/30/387505830.db2.gz WIGGAFYMRYBZJM-UHFFFAOYSA-N 0 3 238.335 0.970 20 0 BCADHN Cc1cnn(C)c1CN[C@@H](C)CN(C)C ZINC000290103810 387506348 /nfs/dbraw/zinc/50/63/48/387506348.db2.gz KMJDIAZTNRUTGS-JTQLQIEISA-N 0 3 210.325 0.768 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000375036372 387506985 /nfs/dbraw/zinc/50/69/85/387506985.db2.gz HJMFMGADDSCVOH-WOPDTQHZSA-N 0 3 239.363 0.489 20 0 BCADHN CN(CC[C@@H]1CCCCO1)[C@@H]1COC[C@H]1O ZINC000352816076 387508665 /nfs/dbraw/zinc/50/86/65/387508665.db2.gz OGIVQFGIZCNHPC-QJPTWQEYSA-N 0 3 229.320 0.637 20 0 BCADHN CO[C@@H]1CN(CCC2(O)CCC2)C[C@H]1OC ZINC000396905720 387511210 /nfs/dbraw/zinc/51/12/10/387511210.db2.gz FLUAMQHXLJGCJQ-GHMZBOCLSA-N 0 3 229.320 0.637 20 0 BCADHN COCCN(Cc1cncs1)C(=O)[C@H](C)N ZINC000516462914 387512496 /nfs/dbraw/zinc/51/24/96/387512496.db2.gz PQELLTGNGDOSGA-QMMMGPOBSA-N 0 3 243.332 0.465 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000375226397 387516661 /nfs/dbraw/zinc/51/66/61/387516661.db2.gz BEVUPDTZIVBVEP-RYUDHWBXSA-N 0 3 239.363 0.491 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](C)C[C@H](CO)C1)N(C)C ZINC000421992691 387517148 /nfs/dbraw/zinc/51/71/48/387517148.db2.gz XFRQSZLAIUYWSE-SDDRHHMPSA-N 0 3 242.363 0.804 20 0 BCADHN Cc1cnc(CN2C[C@H](C)[C@H](CO)C2)cn1 ZINC000361660138 387517912 /nfs/dbraw/zinc/51/79/12/387517912.db2.gz JQFOCLUTWWPLQM-ONGXEEELSA-N 0 3 221.304 0.845 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000300419541 387520550 /nfs/dbraw/zinc/52/05/50/387520550.db2.gz HEPPSUMYWXYCPG-YUSALJHKSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@H](O)CN1CCN(C[C@H]2CCSC2)CC1 ZINC000426163811 387543927 /nfs/dbraw/zinc/54/39/27/387543927.db2.gz XEGNJFCHQOERCL-NWDGAFQWSA-N 0 3 244.404 0.738 20 0 BCADHN COc1cccc(CCNC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000424100209 387524609 /nfs/dbraw/zinc/52/46/09/387524609.db2.gz NIOQZJBGJMLMNP-NEPJUHHUSA-N 0 3 234.299 0.701 20 0 BCADHN CO[C@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000367384991 387524899 /nfs/dbraw/zinc/52/48/99/387524899.db2.gz SKFOGPDRXJLMFH-MRVPVSSYSA-N 0 3 235.287 0.701 20 0 BCADHN C[C@@H](O)CN1CCC(NC(=O)C2CC2)CC1 ZINC000192697032 387526066 /nfs/dbraw/zinc/52/60/66/387526066.db2.gz ITGHPWVMVBHWHY-SECBINFHSA-N 0 3 226.320 0.358 20 0 BCADHN CCC(CC)(CN[C@H](C)C(N)=O)C(=O)OC ZINC000192698014 387527438 /nfs/dbraw/zinc/52/74/38/387527438.db2.gz ALFNBUKTUABBGG-MRVPVSSYSA-N 0 3 230.308 0.429 20 0 BCADHN COC(=O)[C@@H]1CCN(CCCCO)C[C@@H]1C ZINC000355375014 387527863 /nfs/dbraw/zinc/52/78/63/387527863.db2.gz DLJNVSURJUJTRG-WDEREUQCSA-N 0 3 229.320 0.890 20 0 BCADHN CN(C)C1(CNC(=O)N[C@@H]2CC[C@H]2O)CCC1 ZINC000425734588 387528152 /nfs/dbraw/zinc/52/81/52/387528152.db2.gz ATPVMLHZYRHYFB-NXEZZACHSA-N 0 3 241.335 0.293 20 0 BCADHN NC(=O)Cc1ccc(NC(=O)[C@H]2C[C@H]2N)cc1 ZINC000424106593 387529107 /nfs/dbraw/zinc/52/91/07/387529107.db2.gz XPCMDHQTWCELOS-VHSXEESVSA-N 0 3 233.271 0.000 20 0 BCADHN O=C(CN[C@@H]1CCOC1)N1Cc2ccccc2C1 ZINC000355505090 387544223 /nfs/dbraw/zinc/54/42/23/387544223.db2.gz UWXSJLYFSAFDKM-CYBMUJFWSA-N 0 3 246.310 0.907 20 0 BCADHN COC[C@H](C)N1CC[C@H](n2cncn2)C1 ZINC000375328111 387530231 /nfs/dbraw/zinc/53/02/31/387530231.db2.gz MAJVHFWYADTVBE-UWVGGRQHSA-N 0 3 210.281 0.560 20 0 BCADHN CC[C@H](CN(C)CCOCCO)OC ZINC000397034639 387534064 /nfs/dbraw/zinc/53/40/64/387534064.db2.gz RHUIKLVHTADUAA-SNVBAGLBSA-N 0 3 205.298 0.352 20 0 BCADHN CC(C)N(C)CC(=O)N(C)CC[C@@H](C)O ZINC000304978283 387534749 /nfs/dbraw/zinc/53/47/49/387534749.db2.gz FRLCZNRCXIXMFO-SNVBAGLBSA-N 0 3 216.325 0.556 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCC[C@@H]2C(=O)NC[C@H]21 ZINC000310217612 387536184 /nfs/dbraw/zinc/53/61/84/387536184.db2.gz JHDLNTOZUYFVHS-HBNTYKKESA-N 0 3 240.347 0.604 20 0 BCADHN CCN(CCOCCO)CCn1cc(C)cn1 ZINC000310282796 387536785 /nfs/dbraw/zinc/53/67/85/387536785.db2.gz YHEZIIBQKHQRFU-UHFFFAOYSA-N 0 3 241.335 0.522 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCC[C@H]2C(=O)NC[C@@H]21 ZINC000310217613 387536925 /nfs/dbraw/zinc/53/69/25/387536925.db2.gz JHDLNTOZUYFVHS-OUAUKWLOSA-N 0 3 240.347 0.604 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@H]1CCOC[C@@H]1C ZINC000355446671 387537343 /nfs/dbraw/zinc/53/73/43/387537343.db2.gz KQNQWJYIPZBIFA-AXFHLTTASA-N 0 3 243.351 0.661 20 0 BCADHN CCOCCOCCN(C)C[C@@H](C)O ZINC000192818047 387538059 /nfs/dbraw/zinc/53/80/59/387538059.db2.gz ILZBMUKWQADRKE-SNVBAGLBSA-N 0 3 205.298 0.352 20 0 BCADHN C[C@H](O)CN(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000192826620 387539963 /nfs/dbraw/zinc/53/99/63/387539963.db2.gz PJDQCVQJAQNUAN-SDDRHHMPSA-N 0 3 230.352 0.408 20 0 BCADHN CC(C)CO[C@@H]1CCN(CCOCCO)C1 ZINC000305050859 387540317 /nfs/dbraw/zinc/54/03/17/387540317.db2.gz MSKKZGMBGYTISQ-GFCCVEGCSA-N 0 3 231.336 0.742 20 0 BCADHN CN(CCNC(=O)N(CCO)C1CC1)C1CC1 ZINC000352730385 387463124 /nfs/dbraw/zinc/46/31/24/387463124.db2.gz GYFGXEHJSVWYSW-UHFFFAOYSA-N 0 3 241.335 0.247 20 0 BCADHN CCc1cccnc1C(=O)NC[C@@H]1CNCCO1 ZINC000424001654 387463568 /nfs/dbraw/zinc/46/35/68/387463568.db2.gz PLXIMIWSENQSMI-NSHDSACASA-N 0 3 249.314 0.362 20 0 BCADHN COC(=O)[C@H]1CCN(CCO)C[C@H]1C ZINC000191821139 134577240 /nfs/dbraw/zinc/57/72/40/134577240.db2.gz MLKNHILIPJGDFM-BDAKNGLRSA-N 0 3 201.266 0.110 20 0 BCADHN C[C@@H](CO)N(CC(=O)N1CCC1)CC1CCC1 ZINC000361484850 387468611 /nfs/dbraw/zinc/46/86/11/387468611.db2.gz LFLRVVDQCZJOMB-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN CC(C)(CC[NH3+])NC(=O)c1ccc2n[n-]nc2c1 ZINC000424048373 387470526 /nfs/dbraw/zinc/47/05/26/387470526.db2.gz QVSUSJQIQUSNMK-UHFFFAOYSA-N 0 3 247.302 0.815 20 0 BCADHN CCN(CCC(=O)OC)C(=O)[C@@H]1CCCN1C ZINC000114073901 387470649 /nfs/dbraw/zinc/47/06/49/387470649.db2.gz UKJUBTQUSYTRGK-JTQLQIEISA-N 0 3 242.319 0.492 20 0 BCADHN CCN(CCC1CC1)CC(=O)NC(N)=O ZINC000355043334 387470762 /nfs/dbraw/zinc/47/07/62/387470762.db2.gz UMFYMICWFMVERK-UHFFFAOYSA-N 0 3 213.281 0.303 20 0 BCADHN CN(C)CCNC(=O)C[C@@H]1CCOC1 ZINC000352753576 387471663 /nfs/dbraw/zinc/47/16/63/387471663.db2.gz PTBURORTKZAZQD-VIFPVBQESA-N 0 3 200.282 0.091 20 0 BCADHN CCN(C)C(=O)CN(CC1CCC1)[C@H](C)CO ZINC000361492588 387472326 /nfs/dbraw/zinc/47/23/26/387472326.db2.gz JWBYKZOXBKWKJV-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1cn2ccccc2n1 ZINC000516193564 387473447 /nfs/dbraw/zinc/47/34/47/387473447.db2.gz NLHYVBIFRYDJBG-JTQLQIEISA-N 0 3 246.314 0.601 20 0 BCADHN CCN(CCC1CC1)[C@H](C)C(=O)NC(N)=O ZINC000355069981 387474146 /nfs/dbraw/zinc/47/41/46/387474146.db2.gz XVTGMUJDUJQVCZ-MRVPVSSYSA-N 0 3 227.308 0.692 20 0 BCADHN C[C@@H](CO)N(CC(=O)NC1CC1)CC1CCC1 ZINC000361500802 387474478 /nfs/dbraw/zinc/47/44/78/387474478.db2.gz JEQPUTPSEMFRLO-JTQLQIEISA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)C1CCN(C)CC1 ZINC000355080353 387476434 /nfs/dbraw/zinc/47/64/34/387476434.db2.gz FCLLWUPECXKPRN-PWSUYJOCSA-N 0 3 242.363 0.851 20 0 BCADHN [NH3+][C@@H]1C[C@@H]1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000424076149 387477912 /nfs/dbraw/zinc/47/79/12/387477912.db2.gz LIOVQEFNVTUVIK-STHAYSLISA-N 0 3 235.169 0.109 20 0 BCADHN [NH3+][C@@H]1C[C@@H]1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000424076149 387477915 /nfs/dbraw/zinc/47/79/15/387477915.db2.gz LIOVQEFNVTUVIK-STHAYSLISA-N 0 3 235.169 0.109 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)OCCO2 ZINC000424080295 387479473 /nfs/dbraw/zinc/47/94/73/387479473.db2.gz SNOSHMXIJQFGNT-VHSXEESVSA-N 0 3 248.282 0.421 20 0 BCADHN NS(=O)(=O)C[C@H]1CCCN(CCCF)C1 ZINC000361531201 387481727 /nfs/dbraw/zinc/48/17/27/387481727.db2.gz POHNPGNQCAFFMN-VIFPVBQESA-N 0 3 238.328 0.347 20 0 BCADHN CO[C@@H](C)CN1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355126301 387482261 /nfs/dbraw/zinc/48/22/61/387482261.db2.gz NQJCZENYDJEOHN-GXSJLCMTSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1Cc1nccn1C ZINC000336630656 387483559 /nfs/dbraw/zinc/48/35/59/387483559.db2.gz GMTNIQWKQUVRIH-WDEREUQCSA-N 0 3 222.336 0.945 20 0 BCADHN CC(C)[C@H]1CN(Cc2nncn2C)CCN1C ZINC000516230518 387483849 /nfs/dbraw/zinc/48/38/49/387483849.db2.gz NNBJOSGRVNRSMI-LLVKDONJSA-N 0 3 237.351 0.587 20 0 BCADHN COC[C@@H](C)CN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000527116532 387485600 /nfs/dbraw/zinc/48/56/00/387485600.db2.gz YNHMHQQTFSHPLG-QWRGUYRKSA-N 0 3 249.376 0.635 20 0 BCADHN CCN(C[C@@H](C)OC)[C@@H](C)C(=O)N(C)C ZINC000361557479 387486389 /nfs/dbraw/zinc/48/63/89/387486389.db2.gz ANMSFIQBIVNBOX-ZJUUUORDSA-N 0 3 216.325 0.820 20 0 BCADHN CN(C[C@@H]1CCC(C)(C)O1)[C@@H]1COC[C@H]1O ZINC000352795021 387487323 /nfs/dbraw/zinc/48/73/23/387487323.db2.gz CFWOSKZAXBIKDJ-HBNTYKKESA-N 0 3 229.320 0.636 20 0 BCADHN CN(CCCC1CCOCC1)[C@@H]1COC[C@@H]1O ZINC000352796278 387488268 /nfs/dbraw/zinc/48/82/68/387488268.db2.gz UTIYZVIIYWNEMX-OLZOCXBDSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCCN1CC(=O)N1CCC1 ZINC000336711325 387580199 /nfs/dbraw/zinc/58/01/99/387580199.db2.gz PSKBHFGCTAEBTA-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N(CC(F)F)C1CC1 ZINC000424121117 387580794 /nfs/dbraw/zinc/58/07/94/387580794.db2.gz FQXMORUBLFYYQI-NKWVEPMBSA-N 0 3 204.220 0.590 20 0 BCADHN CCc1cc(NC(=O)C(=O)NCCN)ccc1C ZINC000336786104 387583171 /nfs/dbraw/zinc/58/31/71/387583171.db2.gz GYBBGSWRQZUNMB-UHFFFAOYSA-N 0 3 249.314 0.571 20 0 BCADHN c1ncn(CCN2CC[C@H]3OCCC[C@@H]3C2)n1 ZINC000362200593 387583817 /nfs/dbraw/zinc/58/38/17/387583817.db2.gz SOKXUSGIKNBRSR-VXGBXAGGSA-N 0 3 236.319 0.779 20 0 BCADHN CC[C@H](C)CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000422223490 387583890 /nfs/dbraw/zinc/58/38/90/387583890.db2.gz HOYZIXDHBPLJSR-CMPLNLGQSA-N 0 3 243.351 0.398 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H]1CCCN1C1CC1 ZINC000426686565 387585938 /nfs/dbraw/zinc/58/59/38/387585938.db2.gz GAOZNKKHGVPZTD-GFCCVEGCSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)[C@H]1CCCN1C1CC1 ZINC000426691603 387586809 /nfs/dbraw/zinc/58/68/09/387586809.db2.gz JJUIOGZZSCOXIT-ZYHUDNBSSA-N 0 3 240.347 0.843 20 0 BCADHN CCN(CC)CC(=O)N(CCO)C1CC1 ZINC000305243844 387588005 /nfs/dbraw/zinc/58/80/05/387588005.db2.gz SEASFYNCXZYPHU-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN CCC[C@H](C(=O)N1CCCNCC1)N(C)C ZINC000422716785 387628323 /nfs/dbraw/zinc/62/83/23/387628323.db2.gz VHIAFPUBMPMZAS-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN CO[C@H](C)CCC(=O)NCCN(C)C ZINC000122703965 387590637 /nfs/dbraw/zinc/59/06/37/387590637.db2.gz QWQULAMSLLGZFN-SECBINFHSA-N 0 3 202.298 0.479 20 0 BCADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNCC2(F)CC2)O1 ZINC000527524057 387593584 /nfs/dbraw/zinc/59/35/84/387593584.db2.gz UVRDVAPHHZSXFI-UWVGGRQHSA-N 0 3 244.310 0.714 20 0 BCADHN COC[C@H](N)C(=O)Nc1cccc2c1CNCC2 ZINC000375984977 387599438 /nfs/dbraw/zinc/59/94/38/387599438.db2.gz CKNWKKNYQPSLRG-NSHDSACASA-N 0 3 249.314 0.245 20 0 BCADHN CC(C)(CC[NH3+])[N-]S(=O)(=O)c1ccco1 ZINC000422552036 387599418 /nfs/dbraw/zinc/59/94/18/387599418.db2.gz PDFCNAWOWRXJDO-UHFFFAOYSA-N 0 3 232.305 0.685 20 0 BCADHN CN(C)CCCNC(=O)C(=O)c1cccn1C ZINC000362359183 387600523 /nfs/dbraw/zinc/60/05/23/387600523.db2.gz MUJBXEDLWRFCCZ-UHFFFAOYSA-N 0 3 237.303 0.276 20 0 BCADHN Cc1nc(CCNC(=O)[C@@H]2C[C@@H]2N)cs1 ZINC000424127885 387602836 /nfs/dbraw/zinc/60/28/36/387602836.db2.gz DNNHLDKRSUDTKF-BDAKNGLRSA-N 0 3 225.317 0.457 20 0 BCADHN O=C1NCCCC[C@H]1N1CC[C@H]2OCC[C@H]2C1 ZINC000376032697 387603790 /nfs/dbraw/zinc/60/37/90/387603790.db2.gz OPXSYYXFOYIVHM-QJPTWQEYSA-N 0 3 238.331 0.766 20 0 BCADHN CC(C)C[C@H](CCO)CNC(=O)[C@@H]1C[C@@H]1N ZINC000424127214 387603745 /nfs/dbraw/zinc/60/37/45/387603745.db2.gz UTHSUIOIHHVRQT-AXFHLTTASA-N 0 3 228.336 0.495 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H]2OCC[C@H]2C1 ZINC000376041641 387604220 /nfs/dbraw/zinc/60/42/20/387604220.db2.gz IAJXZRGQNHPRTE-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000376077675 387604730 /nfs/dbraw/zinc/60/47/30/387604730.db2.gz SGOMCUIMVWXQRY-QJPTWQEYSA-N 0 3 240.347 0.556 20 0 BCADHN CS[C@@H](C)CC(=O)NC[C@](C)(O)CN(C)C ZINC000305454602 387606626 /nfs/dbraw/zinc/60/66/26/387606626.db2.gz SPECUPHYSZLVSJ-ONGXEEELSA-N 0 3 248.392 0.557 20 0 BCADHN O=S(=O)([N-][C@@H]1CCC[NH2+]CC1)c1ccco1 ZINC000376155036 387610545 /nfs/dbraw/zinc/61/05/45/387610545.db2.gz JNKHLZWGHUAMNG-SECBINFHSA-N 0 3 244.316 0.700 20 0 BCADHN COC(=O)CNC(=O)CN1CC[C@@H](C2CC2)C1 ZINC000362413121 387610532 /nfs/dbraw/zinc/61/05/32/387610532.db2.gz KBMIAVTUPYKETB-SNVBAGLBSA-N 0 3 240.303 0.008 20 0 BCADHN CO[C@@]1(CNCc2cnn(C)c2C)CCOC1 ZINC000122887405 387611723 /nfs/dbraw/zinc/61/17/23/387611723.db2.gz FKWBWYNEKFSSJN-GFCCVEGCSA-N 0 3 239.319 0.624 20 0 BCADHN CCSCC[C@H](C)NC(=O)COC1CNC1 ZINC000430388044 387615225 /nfs/dbraw/zinc/61/52/25/387615225.db2.gz XEVREURHNSMWJL-VIFPVBQESA-N 0 3 246.376 0.623 20 0 BCADHN CC[C@H]1CN(C(=O)COC2CNC2)CCS1 ZINC000430405573 387615284 /nfs/dbraw/zinc/61/52/84/387615284.db2.gz SYHQTHSFYWEHPC-JTQLQIEISA-N 0 3 244.360 0.329 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)C ZINC000124417465 387615484 /nfs/dbraw/zinc/61/54/84/387615484.db2.gz KIMGDJRIDPEPOR-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H]1CCC[C@@H]1NC(=O)COC1CNC1 ZINC000430426604 387616577 /nfs/dbraw/zinc/61/65/77/387616577.db2.gz MWEDKHZJRZLAIG-ONGXEEELSA-N 0 3 226.320 0.670 20 0 BCADHN CN(C)CCN(C)C(=O)N[C@H]1CCCOC1 ZINC000356091243 387616761 /nfs/dbraw/zinc/61/67/61/387616761.db2.gz MWQWWXDYWUYLHY-JTQLQIEISA-N 0 3 229.324 0.368 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1CN(C)C ZINC000356087906 387617052 /nfs/dbraw/zinc/61/70/52/387617052.db2.gz TYJPGNGWTRIOPL-SRVKXCTJSA-N 0 3 240.347 0.964 20 0 BCADHN CO[C@@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000430419725 387617223 /nfs/dbraw/zinc/61/72/23/387617223.db2.gz UOHWSFONLPQMIY-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN CN(CCO)Cc1ccc2c(c1)nnn2C ZINC000124505383 387620521 /nfs/dbraw/zinc/62/05/21/387620521.db2.gz OFSHBNVJJPAXPU-UHFFFAOYSA-N 0 3 220.276 0.392 20 0 BCADHN CC[C@@]1(C)CCN(C(=O)COC2CNC2)C1 ZINC000430479947 387622086 /nfs/dbraw/zinc/62/20/86/387622086.db2.gz DERZGAFDJJCEAA-LBPRGKRZSA-N 0 3 226.320 0.623 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)CC(=O)N(C)C ZINC000362512214 387622225 /nfs/dbraw/zinc/62/22/25/387622225.db2.gz JRRICNUJWSNTJO-SNVBAGLBSA-N 0 3 241.335 0.017 20 0 BCADHN CN(C)Cc1ccccc1C(=O)N1CCNCC1 ZINC000422708478 387622906 /nfs/dbraw/zinc/62/29/06/387622906.db2.gz XTMDLJLECCWYEZ-UHFFFAOYSA-N 0 3 247.342 0.794 20 0 BCADHN CC[C@@H](CCO)CNC(=O)C1CCN(C)CC1 ZINC000356170198 387624819 /nfs/dbraw/zinc/62/48/19/387624819.db2.gz JXPHSBUQKQHRLM-NSHDSACASA-N 0 3 242.363 0.853 20 0 BCADHN CC[C@@H](C(=O)N(C)C[C@H]1CCCN1C)N(C)C ZINC000422038867 387545181 /nfs/dbraw/zinc/54/51/81/387545181.db2.gz QSDGLYUZQHBILJ-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN CC[C@@H](C(=O)N(CC)CC(C)(C)O)N(C)C ZINC000305077927 387546802 /nfs/dbraw/zinc/54/68/02/387546802.db2.gz OVVPKFCCAJBPKZ-JTQLQIEISA-N 0 3 230.352 0.946 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)CCCO ZINC000305081510 387547882 /nfs/dbraw/zinc/54/78/82/387547882.db2.gz QZQILXHVYVLAKQ-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H](C)CCCO)N(C)C ZINC000122531094 387549232 /nfs/dbraw/zinc/54/92/32/387549232.db2.gz MJCXSNOWARKDMW-GHMZBOCLSA-N 0 3 230.352 0.850 20 0 BCADHN Cn1nccc1CN1CCC[C@H]1CCO ZINC000426236498 387550072 /nfs/dbraw/zinc/55/00/72/387550072.db2.gz HTKNNPQWIVKIJX-JTQLQIEISA-N 0 3 209.293 0.767 20 0 BCADHN CCOC[C@H](O)CN[C@@H](CC)c1cnn(C)c1 ZINC000361891183 387551043 /nfs/dbraw/zinc/55/10/43/387551043.db2.gz VLAVKFQLQOIARB-NEPJUHHUSA-N 0 3 241.335 0.858 20 0 BCADHN CO[C@H](C)[C@H](C)NCc1ccc(C(N)=O)nc1 ZINC000361923847 387552829 /nfs/dbraw/zinc/55/28/29/387552829.db2.gz LSEKYZCGXOXBCW-DTWKUNHWSA-N 0 3 237.303 0.694 20 0 BCADHN CN(Cc1ccco1)C(=O)[C@]1(F)CCNC1 ZINC000119507632 387556139 /nfs/dbraw/zinc/55/61/39/387556139.db2.gz QLAKNWCPZAZDPE-NSHDSACASA-N 0 3 226.251 0.940 20 0 BCADHN CC(C(=O)N[C@@H]1CCSC1)S(C)(=O)=O ZINC000361978736 387557473 /nfs/dbraw/zinc/55/74/73/387557473.db2.gz MRHIVBDPHIBKRK-RNFRBKRXSA-N 0 3 237.346 0.041 20 0 BCADHN CC(C(=O)N[C@H]1CCSC1)S(C)(=O)=O ZINC000361978734 387558272 /nfs/dbraw/zinc/55/82/72/387558272.db2.gz MRHIVBDPHIBKRK-BQBZGAKWSA-N 0 3 237.346 0.041 20 0 BCADHN CC[C@H](CCO)NC(=O)CN(C)C(C)C ZINC000305128495 387558795 /nfs/dbraw/zinc/55/87/95/387558795.db2.gz JBGWZMQUMKKMTG-SNVBAGLBSA-N 0 3 216.325 0.604 20 0 BCADHN CC(C)OC(=O)[C@@H](C)CNC(=O)[C@@H]1C[C@@H]1N ZINC000424116371 387559477 /nfs/dbraw/zinc/55/94/77/387559477.db2.gz AHYQNNSXJSTPOV-YIZRAAEISA-N 0 3 228.292 0.038 20 0 BCADHN CC[C@@H](CCO)CNC(=O)[C@]1(F)CCNC1 ZINC000305137055 387559681 /nfs/dbraw/zinc/55/96/81/387559681.db2.gz UKSMIRDNAZXLGA-ONGXEEELSA-N 0 3 232.299 0.213 20 0 BCADHN Cn1nccc1CNC1CCC(C(N)=O)CC1 ZINC000037152742 387560483 /nfs/dbraw/zinc/56/04/83/387560483.db2.gz ZQLCCEJXCINSEW-UHFFFAOYSA-N 0 3 236.319 0.554 20 0 BCADHN C[C@@H](O)CN1CCCC[C@H]1Cn1ccnn1 ZINC000375621388 387561515 /nfs/dbraw/zinc/56/15/15/387561515.db2.gz SCDQZBSHEGHAMK-MNOVXSKESA-N 0 3 224.308 0.513 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000037413757 387561795 /nfs/dbraw/zinc/56/17/95/387561795.db2.gz XQGQTORWSULASD-BDAKNGLRSA-N 0 3 230.308 0.428 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)[C@@H](CO)SC ZINC000305146856 387563004 /nfs/dbraw/zinc/56/30/04/387563004.db2.gz YOCOLRIWKDWEKA-VHSXEESVSA-N 0 3 248.392 0.557 20 0 BCADHN CCc1ccc(NC(=O)C(=O)NCCN)cc1 ZINC000037243107 387563153 /nfs/dbraw/zinc/56/31/53/387563153.db2.gz VRZVGWQJUGJXHD-UHFFFAOYSA-N 0 3 235.287 0.262 20 0 BCADHN CC(C)N(C)C(=O)CN1C[C@H](C)[C@H](CO)C1 ZINC000362052314 387563648 /nfs/dbraw/zinc/56/36/48/387563648.db2.gz DXGKZONPPUPCGT-QWRGUYRKSA-N 0 3 228.336 0.413 20 0 BCADHN O=S(=O)(NC1CC1)[C@@H]1CCN(CC2CC2)C1 ZINC000120210950 387564301 /nfs/dbraw/zinc/56/43/01/387564301.db2.gz RZYTUBAGNMLJSE-LLVKDONJSA-N 0 3 244.360 0.553 20 0 BCADHN CC(C)n1nccc1CNC[C@]1(O)CCOC1 ZINC000280122603 387564848 /nfs/dbraw/zinc/56/48/48/387564848.db2.gz CNJVOJUOBUXMTM-GFCCVEGCSA-N 0 3 239.319 0.705 20 0 BCADHN C[C@H](NC[C@H](O)CN(C)C)c1cccnc1 ZINC000037889090 387567499 /nfs/dbraw/zinc/56/74/99/387567499.db2.gz ZUUOCBFUDYMENO-JQWIXIFHSA-N 0 3 223.320 0.655 20 0 BCADHN C[C@@H]1CCN(CCNCc2cncnc2)C1 ZINC000309821480 387568845 /nfs/dbraw/zinc/56/88/45/387568845.db2.gz WKKJFOJMOHQNRM-LLVKDONJSA-N 0 3 220.320 0.908 20 0 BCADHN CCCCNC(=O)[C@H](C)N1C[C@H](C)[C@H](CO)C1 ZINC000362085190 387569623 /nfs/dbraw/zinc/56/96/23/387569623.db2.gz FPVIYZIIWZCALB-SRVKXCTJSA-N 0 3 242.363 0.851 20 0 BCADHN COC[C@H](C)NC[C@](C)(O)C(=O)OC(C)(C)C ZINC000362089376 387571652 /nfs/dbraw/zinc/57/16/52/387571652.db2.gz IGMMFMWPVHNNPX-CABZTGNLSA-N 0 3 247.335 0.704 20 0 BCADHN CCCCCNC(=O)CN1C[C@H](C)[C@@H](CO)C1 ZINC000362091293 387572108 /nfs/dbraw/zinc/57/21/08/387572108.db2.gz SWRCGKBVHDXIGE-NWDGAFQWSA-N 0 3 242.363 0.853 20 0 BCADHN Cc1ccc(CN2CC[C@](O)(C(N)=O)C2)c(C)n1 ZINC000375727744 387573828 /nfs/dbraw/zinc/57/38/28/387573828.db2.gz UBDNTUHDMOCMEU-CYBMUJFWSA-N 0 3 249.314 0.121 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)NCCN(C)C1CC1 ZINC000426479675 387573980 /nfs/dbraw/zinc/57/39/80/387573980.db2.gz MMCUOZHMHIEQRG-SNVBAGLBSA-N 0 3 243.351 0.493 20 0 BCADHN COC(=O)CNC(=O)CN1CC[C@@H]2CCC[C@@H]21 ZINC000426482799 387574574 /nfs/dbraw/zinc/57/45/74/387574574.db2.gz AMQOFBLMHQIELJ-UWVGGRQHSA-N 0 3 240.303 0.150 20 0 BCADHN CCCN(CCN(C)C)C(=O)CCCC(N)=O ZINC000426482958 387575192 /nfs/dbraw/zinc/57/51/92/387575192.db2.gz GXRMCJVCNVSKAB-UHFFFAOYSA-N 0 3 243.351 0.442 20 0 BCADHN CC[C@H](C(=O)N(C)C[C@H]1CCCN1C)[C@@H](C)O ZINC000422133203 387575231 /nfs/dbraw/zinc/57/52/31/387575231.db2.gz LDYULYDIKGTNOZ-UTUOFQBUSA-N 0 3 242.363 0.946 20 0 BCADHN CCCCOCCN1CCN(CCO)[C@@H](C)C1 ZINC000426492841 387576927 /nfs/dbraw/zinc/57/69/27/387576927.db2.gz AIPASMFPEFDGAG-ZDUSSCGKSA-N 0 3 244.379 0.802 20 0 BCADHN CCN(CCO)CCNC(=O)C[C@@H]1C[C@@H]1C ZINC000355748180 387577573 /nfs/dbraw/zinc/57/75/73/387577573.db2.gz JHGNNCVWQMNNEE-QWRGUYRKSA-N 0 3 228.336 0.463 20 0 BCADHN CN(C)CCNC(=O)NCCCCF ZINC000362150915 387577763 /nfs/dbraw/zinc/57/77/63/387577763.db2.gz HPYXQVQWAQXZOI-UHFFFAOYSA-N 0 3 205.277 0.597 20 0 BCADHN CCN(CCNC(=O)N(C)[C@H](C)CO)C1CC1 ZINC000305700302 387630324 /nfs/dbraw/zinc/63/03/24/387630324.db2.gz BIXZEKDDTBSMFY-SNVBAGLBSA-N 0 3 243.351 0.493 20 0 BCADHN C[C@@H](CO)NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000124750885 387632046 /nfs/dbraw/zinc/63/20/46/387632046.db2.gz FEIQKHOCBIQUNE-ONGXEEELSA-N 0 3 226.320 0.358 20 0 BCADHN CCCCNC(=O)[C@@H](C)NCCn1cccn1 ZINC000042540901 387634058 /nfs/dbraw/zinc/63/40/58/387634058.db2.gz UKRYCWLTHKERPW-LLVKDONJSA-N 0 3 238.335 0.778 20 0 BCADHN O[C@H](CNCC1(F)CC1)[C@H]1CCCO1 ZINC000527757709 387694766 /nfs/dbraw/zinc/69/47/66/387694766.db2.gz QPCBHIXSPBUZFQ-RKDXNWHRSA-N 0 3 203.257 0.618 20 0 BCADHN CCc1cc(=O)[n-]c(CN2CCC[NH2+]CC2)n1 ZINC000430621780 387635158 /nfs/dbraw/zinc/63/51/58/387635158.db2.gz KCWUGFWYEOZHJG-UHFFFAOYSA-N 0 3 236.319 0.540 20 0 BCADHN CN1CCC(CC(=O)NC(C)(C)C(N)=O)CC1 ZINC000362587545 387636191 /nfs/dbraw/zinc/63/61/91/387636191.db2.gz DMWYYKFAJBMFTO-UHFFFAOYSA-N 0 3 241.335 0.098 20 0 BCADHN CN(C)CCN(C(=O)CCCC(N)=O)C1CC1 ZINC000356280312 387637234 /nfs/dbraw/zinc/63/72/34/387637234.db2.gz MONBKROFHDMGFZ-UHFFFAOYSA-N 0 3 241.335 0.195 20 0 BCADHN CC(C)(O)[C@H]1CCCN1CC(=O)N1CCCC1 ZINC000305727494 387637931 /nfs/dbraw/zinc/63/79/31/387637931.db2.gz JOOUUTSGFIDEQM-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN Cc1ccncc1NC(=O)COC1CNC1 ZINC000430686918 387638796 /nfs/dbraw/zinc/63/87/96/387638796.db2.gz OMIGAUZTOJHEGQ-UHFFFAOYSA-N 0 3 221.260 0.317 20 0 BCADHN CCOCCCN[C@@H]1CCN[C@H]1C(=O)OCC ZINC000422729947 387638802 /nfs/dbraw/zinc/63/88/02/387638802.db2.gz LQCQENNXTWYISW-GHMZBOCLSA-N 0 3 244.335 0.296 20 0 BCADHN CCC1(CO)CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000305734440 387639340 /nfs/dbraw/zinc/63/93/40/387639340.db2.gz LKFGRJXUWBCWGI-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1nncn1C(C)C ZINC000430697808 387640032 /nfs/dbraw/zinc/64/00/32/387640032.db2.gz MBAYINQSCGIZRY-JTQLQIEISA-N 0 3 239.323 0.459 20 0 BCADHN CN(C)CCN(C(=O)c1ccncn1)C1CC1 ZINC000356293152 387640242 /nfs/dbraw/zinc/64/02/42/387640242.db2.gz ICMSXDKKSMPUOY-UHFFFAOYSA-N 0 3 234.303 0.643 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@](C)(O)C1 ZINC000125025876 387640825 /nfs/dbraw/zinc/64/08/25/387640825.db2.gz AJMUTDWJKAIXTE-WCBMZHEXSA-N 0 3 200.282 0.097 20 0 BCADHN CC(C)(C(N)=O)N1CCN(CC2CCC2)CC1 ZINC000430715576 387642230 /nfs/dbraw/zinc/64/22/30/387642230.db2.gz SKOYSELLBUHZQB-UHFFFAOYSA-N 0 3 239.363 0.668 20 0 BCADHN O=C(NCc1nncn1C1CC1)[C@@H]1CCCCN1 ZINC000430726120 387645492 /nfs/dbraw/zinc/64/54/92/387645492.db2.gz SVYFDOIFLAHRMW-JTQLQIEISA-N 0 3 249.318 0.371 20 0 BCADHN C[C@H](O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000362663919 387647745 /nfs/dbraw/zinc/64/77/45/387647745.db2.gz IDZSQKOXQVXTGC-UWVGGRQHSA-N 0 3 212.293 0.064 20 0 BCADHN CCCC(=O)NCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000356346027 387648016 /nfs/dbraw/zinc/64/80/16/387648016.db2.gz MXJMMDRIARNXQL-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN CC(=O)NCCCN1CC[C@@H](C)[C@@H](O)C1 ZINC000305770292 387650609 /nfs/dbraw/zinc/65/06/09/387650609.db2.gz XBLBUJFGBPORKR-KOLCDFICSA-N 0 3 214.309 0.215 20 0 BCADHN Cc1c(CN2CC[C@@H](C)[C@@H](O)C2)cnn1C ZINC000305769959 387651239 /nfs/dbraw/zinc/65/12/39/387651239.db2.gz XANBXSUMILKFHA-SKDRFNHKSA-N 0 3 223.320 0.931 20 0 BCADHN CNS(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000377150514 387695390 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ZINC000527791629 387717368 /nfs/dbraw/zinc/71/73/68/387717368.db2.gz UCLISJQZFOLMBO-UHFFFAOYSA-N 0 3 207.277 0.987 20 0 BCADHN CN(C)S(=O)(=O)CCN1CC[C@H](C2CC2)C1 ZINC000367545146 387718515 /nfs/dbraw/zinc/71/85/15/387718515.db2.gz SQDDRJRKJAEDMY-NSHDSACASA-N 0 3 246.376 0.610 20 0 BCADHN C[C@@H]1C[C@@H](O)CN(CCN2CCOC[C@@H]2C)C1 ZINC000452064922 387718853 /nfs/dbraw/zinc/71/88/53/387718853.db2.gz AYCVXGLFGRIUMZ-FRRDWIJNSA-N 0 3 242.363 0.410 20 0 BCADHN CNS(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000367555102 387722008 /nfs/dbraw/zinc/72/20/08/387722008.db2.gz YRQUVQOXVLVOBP-VIFPVBQESA-N 0 3 247.364 0.057 20 0 BCADHN O=C(NCC1COC1)N[C@@H]1CCN(C2CC2)C1 ZINC000527801661 387722265 /nfs/dbraw/zinc/72/22/65/387722265.db2.gz SKLCTDJMCGFANS-SNVBAGLBSA-N 0 3 239.319 0.169 20 0 BCADHN C[C@@H]1C[C@@H](O)CN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000452066163 387722701 /nfs/dbraw/zinc/72/27/01/387722701.db2.gz JRPIQVOSADHGDD-JLLWLGSASA-N 0 3 238.331 0.452 20 0 BCADHN CN1CCC[C@H](CNC(=O)NCC2COC2)C1 ZINC000527800982 387723055 /nfs/dbraw/zinc/72/30/55/387723055.db2.gz PNJGQDJTWBMSCJ-SNVBAGLBSA-N 0 3 241.335 0.274 20 0 BCADHN C[C@H](O)CNC(=O)c1cccc(CN(C)C)c1 ZINC000127644640 387723530 /nfs/dbraw/zinc/72/35/30/387723530.db2.gz NDYPNOGMBRKYCN-JTQLQIEISA-N 0 3 236.315 0.859 20 0 BCADHN CC[C@H](OC)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000356805280 387724415 /nfs/dbraw/zinc/72/44/15/387724415.db2.gz ASJQIUBWUHSWNL-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1CN(C(=O)c2cnccc2N(C)C)CCN1 ZINC000422834072 387724903 /nfs/dbraw/zinc/72/49/03/387724903.db2.gz HJPMIYASDKUJOJ-SNVBAGLBSA-N 0 3 248.330 0.582 20 0 BCADHN CC[C@H](OC)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000356805278 387725058 /nfs/dbraw/zinc/72/50/58/387725058.db2.gz ASJQIUBWUHSWNL-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN O=C(CN1CCC[C@@H]1C1CC1)N1CCOCC1 ZINC000377544135 387726894 /nfs/dbraw/zinc/72/68/94/387726894.db2.gz MYGNEBDJHROGMF-GFCCVEGCSA-N 0 3 238.331 0.720 20 0 BCADHN CCCCCN1CCOC[C@@H]1CC(N)=O ZINC000452087499 387731617 /nfs/dbraw/zinc/73/16/17/387731617.db2.gz QQGFCTDKIBUEEP-JTQLQIEISA-N 0 3 214.309 0.753 20 0 BCADHN CN([C@@H]1CCC[C@H]1O)[C@H]1CCCCNC1=O ZINC000367585000 387731730 /nfs/dbraw/zinc/73/17/30/387731730.db2.gz LGGWXJHQAZMEGM-OUAUKWLOSA-N 0 3 226.320 0.500 20 0 BCADHN CCC[C@H]([NH2+]C(C)C)C(=O)[N-]c1nncn1C ZINC000431817721 387733409 /nfs/dbraw/zinc/73/34/09/387733409.db2.gz JOERDBGXLOETLI-VIFPVBQESA-N 0 3 239.323 0.920 20 0 BCADHN CC(C)(C)N1CC[C@](F)(C(=O)NCCCO)C1 ZINC000377657276 387735310 /nfs/dbraw/zinc/73/53/10/387735310.db2.gz UMUXAVFOCRCCTI-GFCCVEGCSA-N 0 3 246.326 0.698 20 0 BCADHN CCNS(=O)(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000452107763 387739489 /nfs/dbraw/zinc/73/94/89/387739489.db2.gz UBZVJBKBLDWWGB-JTQLQIEISA-N 0 3 249.380 0.255 20 0 BCADHN CC(C(=O)N1CCC[C@@H]1C1CC1)S(C)(=O)=O ZINC000377686200 387740373 /nfs/dbraw/zinc/74/03/73/387740373.db2.gz JOSVCKHJDSRGIN-WCBMZHEXSA-N 0 3 245.344 0.821 20 0 BCADHN CC(=O)CCC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000367251446 387761989 /nfs/dbraw/zinc/76/19/89/387761989.db2.gz OBAFDVRLPHBXNQ-NWDGAFQWSA-N 0 3 238.331 0.908 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NCC[C@@H](C)OC ZINC000422896468 387765622 /nfs/dbraw/zinc/76/56/22/387765622.db2.gz AEUDOGKPIWNOOI-GMTAPVOTSA-N 0 3 244.335 0.295 20 0 BCADHN CC[C@@H](C)CN1CCN2C(=O)N(C)C(=O)[C@H]2C1 ZINC000378125462 387765795 /nfs/dbraw/zinc/76/57/95/387765795.db2.gz JGRKSEKQFUJAMU-NXEZZACHSA-N 0 3 239.319 0.611 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000129322518 387768054 /nfs/dbraw/zinc/76/80/54/387768054.db2.gz NNHNNHSIUZAAJG-SFYZADRCSA-N 0 3 229.324 0.143 20 0 BCADHN CCCN(C)CC(=O)N[C@H](COC)C1CC1 ZINC000441545216 387768288 /nfs/dbraw/zinc/76/82/88/387768288.db2.gz KSYUTRFKEBCTPV-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](COC)C1CC1)N(C)C ZINC000441579791 387770121 /nfs/dbraw/zinc/77/01/21/387770121.db2.gz JKTOHONBDOYCKP-QWRGUYRKSA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@@H](C(=O)N[C@H](COC)C1CC1)N(C)C ZINC000441579789 387770163 /nfs/dbraw/zinc/77/01/63/387770163.db2.gz JKTOHONBDOYCKP-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H](O)CNC(=O)c1cccc(CN(C)C)c1 ZINC000129494940 387771052 /nfs/dbraw/zinc/77/10/52/387771052.db2.gz NDYPNOGMBRKYCN-SNVBAGLBSA-N 0 3 236.315 0.859 20 0 BCADHN COC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC000129538198 387773219 /nfs/dbraw/zinc/77/32/19/387773219.db2.gz VDWMSUYQWCGRIO-ZJUUUORDSA-N 0 3 216.325 0.724 20 0 BCADHN CC[C@H](C)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452374891 387812290 /nfs/dbraw/zinc/81/22/90/387812290.db2.gz LIYTURHHBSRVOE-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](C(=O)NCC[C@H](C)CCO)N(C)C ZINC000452247167 387780709 /nfs/dbraw/zinc/78/07/09/387780709.db2.gz HJBNURMIYUZJDA-QWRGUYRKSA-N 0 3 230.352 0.851 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@H](C)SC ZINC000422932760 387781469 /nfs/dbraw/zinc/78/14/69/387781469.db2.gz GQFGZDLDJZRDOV-LPEHRKFASA-N 0 3 246.376 0.621 20 0 BCADHN CCCN(C)CC(=O)NCC[C@@H](C)CCO ZINC000452252579 387782351 /nfs/dbraw/zinc/78/23/51/387782351.db2.gz SYDXVTIXFLPVTG-LLVKDONJSA-N 0 3 230.352 0.853 20 0 BCADHN CCN(CCNC(=O)N(C)CCCO)C1CC1 ZINC000441894975 387782978 /nfs/dbraw/zinc/78/29/78/387782978.db2.gz UGYLCUWJPSRHSF-UHFFFAOYSA-N 0 3 243.351 0.495 20 0 BCADHN Cc1ccc([C@@H](C)NC(=O)C(=O)NCCN)cc1 ZINC000049551602 387784904 /nfs/dbraw/zinc/78/49/04/387784904.db2.gz WZIUQPRAFZSGNZ-SNVBAGLBSA-N 0 3 249.314 0.247 20 0 BCADHN CCC[C@@H](O)CN1CCSC[C@H]1CCO ZINC000450480065 387785366 /nfs/dbraw/zinc/78/53/66/387785366.db2.gz AAMAUYNBNFLCCS-GHMZBOCLSA-N 0 3 233.377 0.947 20 0 BCADHN CCn1nncc1CN[C@@H](C)Cc1cnccn1 ZINC000527916528 387788103 /nfs/dbraw/zinc/78/81/03/387788103.db2.gz PUGFRDMQSZISBI-JTQLQIEISA-N 0 3 246.318 0.809 20 0 BCADHN CN1CCN(C(=O)[C@@H]2C[C@@H]2N)c2cccnc21 ZINC000424149595 387789854 /nfs/dbraw/zinc/78/98/54/387789854.db2.gz WTZDWNVTDABZNK-BDAKNGLRSA-N 0 3 232.287 0.212 20 0 BCADHN CCn1nncc1CN[C@@H](C)[C@H]1CCOC1 ZINC000527921507 387790459 /nfs/dbraw/zinc/79/04/59/387790459.db2.gz ZNNRQNZLLXHORY-UWVGGRQHSA-N 0 3 224.308 0.813 20 0 BCADHN CC(C)[C@H](C(=O)NCCC1CC(O)C1)N(C)C ZINC000432435542 387790428 /nfs/dbraw/zinc/79/04/28/387790428.db2.gz IBRHWZCJSZVANS-HTAVTVPLSA-N 0 3 242.363 0.850 20 0 BCADHN C[C@@H](CNC(=O)N(C)CCCO)N(C)C1CC1 ZINC000442149960 387790524 /nfs/dbraw/zinc/79/05/24/387790524.db2.gz NJNNBEBBJDBRFQ-JTQLQIEISA-N 0 3 243.351 0.493 20 0 BCADHN CN(CCCO)C(=O)NCCN(C)C1CC1 ZINC000442158256 387790589 /nfs/dbraw/zinc/79/05/89/387790589.db2.gz DXLZTKISMJZAOB-UHFFFAOYSA-N 0 3 229.324 0.104 20 0 BCADHN [NH3+]C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000050246086 387793395 /nfs/dbraw/zinc/79/33/95/387793395.db2.gz SBUKXFUVEWFZLZ-SECBINFHSA-N 0 3 220.272 0.813 20 0 BCADHN Cc1cnc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2N)s1 ZINC000424150949 387793637 /nfs/dbraw/zinc/79/36/37/387793637.db2.gz GVABUPCJBNVECI-PRJMDXOYSA-N 0 3 225.317 0.976 20 0 BCADHN CC(C)N(C)CC(=O)NCCC1CC(O)C1 ZINC000432472527 387795135 /nfs/dbraw/zinc/79/51/35/387795135.db2.gz ONSLIUMMZHVWOM-UHFFFAOYSA-N 0 3 228.336 0.604 20 0 BCADHN CCOC(=O)CCN[C@H]1C(=O)NCC[C@H]1C ZINC000193604138 387797251 /nfs/dbraw/zinc/79/72/51/387797251.db2.gz LKPAYLDXXKZZRJ-PSASIEDQSA-N 0 3 228.292 0.054 20 0 BCADHN CCSCCN[C@H]1C(=O)NCC[C@@H]1C ZINC000193610517 387797285 /nfs/dbraw/zinc/79/72/85/387797285.db2.gz MKOQJMSYQOILGR-DTWKUNHWSA-N 0 3 216.350 0.854 20 0 BCADHN CCOC(=O)CCN[C@@H]1C(=O)NCC[C@@H]1C ZINC000193604177 387798522 /nfs/dbraw/zinc/79/85/22/387798522.db2.gz LKPAYLDXXKZZRJ-WPRPVWTQSA-N 0 3 228.292 0.054 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000527999186 387808583 /nfs/dbraw/zinc/80/85/83/387808583.db2.gz CRDJOWFEVGUFBD-UVOCVTCTSA-N 0 3 249.376 0.821 20 0 BCADHN C[C@H](Cc1cnccn1)N[C@@H]1CCCN(C)C1=O ZINC000527964985 387810961 /nfs/dbraw/zinc/81/09/61/387810961.db2.gz WBSVRRDTIXFEFG-ZYHUDNBSSA-N 0 3 248.330 0.618 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NC1CCC1 ZINC000422959397 387811266 /nfs/dbraw/zinc/81/12/66/387811266.db2.gz RWJKZGFGJGBXSG-NXEZZACHSA-N 0 3 212.293 0.422 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](F)C1 ZINC000452377487 387811358 /nfs/dbraw/zinc/81/13/58/387811358.db2.gz NVCXUUPIQWAHQX-SECBINFHSA-N 0 3 202.273 0.899 20 0 BCADHN Cc1nnc(C2CCN(C(=O)C3C[NH2+]C3)CC2)[n-]1 ZINC000367820030 387756768 /nfs/dbraw/zinc/75/67/68/387756768.db2.gz HBXCQYKTWLZTDW-UHFFFAOYSA-N 0 3 249.318 0.039 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cccc(C(N)=O)c1 ZINC000135707821 387821957 /nfs/dbraw/zinc/82/19/57/387821957.db2.gz JBYCRWJNOAHHDH-QMMMGPOBSA-N 0 3 235.287 0.139 20 0 BCADHN COC[C@H](O)CN1CCC(OCC2CC2)CC1 ZINC000360020129 387823769 /nfs/dbraw/zinc/82/37/69/387823769.db2.gz KSMXQYYXXRDYDB-GFCCVEGCSA-N 0 3 243.347 0.885 20 0 BCADHN Cc1nnsc1CNCCc1cn(C)cn1 ZINC000313302342 387826160 /nfs/dbraw/zinc/82/61/60/387826160.db2.gz PRVXPWIJFLUPDQ-UHFFFAOYSA-N 0 3 237.332 0.912 20 0 BCADHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1C[C@@H]1N ZINC000424157103 387826505 /nfs/dbraw/zinc/82/65/05/387826505.db2.gz QPNQHWIQAUZMHH-VGMNWLOBSA-N 0 3 249.318 0.139 20 0 BCADHN Cn1cc(CNCCN2CCCCCC2)nn1 ZINC000054860855 387830286 /nfs/dbraw/zinc/83/02/86/387830286.db2.gz DNZDVXXHKVGWCM-UHFFFAOYSA-N 0 3 237.351 0.781 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCO[C@H](COC)C1 ZINC000442730995 387830496 /nfs/dbraw/zinc/83/04/96/387830496.db2.gz QGKVXJXUUFVKEV-VWYCJHECSA-N 0 3 244.335 0.234 20 0 BCADHN CCC1(NC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000452459802 387830823 /nfs/dbraw/zinc/83/08/23/387830823.db2.gz MGHFXBNCUDVNFZ-NSHDSACASA-N 0 3 237.347 0.435 20 0 BCADHN CCCCCN(CC(N)=O)C[C@H](O)C(C)C ZINC000432863115 387834678 /nfs/dbraw/zinc/83/46/78/387834678.db2.gz HWBANOHRSONNSJ-NSHDSACASA-N 0 3 230.352 0.981 20 0 BCADHN CC(C)[C@@H](O)CN(C)[C@]1(CO)CCOC1 ZINC000432868702 387835377 /nfs/dbraw/zinc/83/53/77/387835377.db2.gz WVLYGQYFFPNXJK-QWRGUYRKSA-N 0 3 217.309 0.087 20 0 BCADHN O=C([C@H]1CN2CCN1CCC2)N1CC[C@H]1C1CC1 ZINC000452498032 387840167 /nfs/dbraw/zinc/84/01/67/387840167.db2.gz KRFWLEGTDRFADZ-QWHCGFSZSA-N 0 3 249.358 0.387 20 0 BCADHN COCCNCCNC(=O)[C@@H]1CCC[C@H](F)C1 ZINC000424160888 387841176 /nfs/dbraw/zinc/84/11/76/387841176.db2.gz XOKGKBCOAWQEHA-MNOVXSKESA-N 0 3 246.326 0.867 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)CCCCO ZINC000452509430 387843575 /nfs/dbraw/zinc/84/35/75/387843575.db2.gz HAUXMDVLRWGKIY-LLVKDONJSA-N 0 3 230.352 0.996 20 0 BCADHN Cc1cnc(CCN(C)C(=O)[C@@H]2C[C@@H]2N)s1 ZINC000424163838 387846172 /nfs/dbraw/zinc/84/61/72/387846172.db2.gz ATEBAOLYPSEIQD-BDAKNGLRSA-N 0 3 239.344 0.800 20 0 BCADHN CCC(=O)N[C@H]1CCCN(C[C@@H](O)C(C)C)C1 ZINC000432942994 387846123 /nfs/dbraw/zinc/84/61/23/387846123.db2.gz FGCYIMRHVWTYGZ-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1ncc(CN[C@H]2C[NH2+]CC[C@H]2C)c(=O)[n-]1 ZINC000423035633 387851569 /nfs/dbraw/zinc/85/15/69/387851569.db2.gz SCWCSRVFZCLXQQ-KCJUWKMLSA-N 0 3 236.319 0.578 20 0 BCADHN CNC(=O)CN1CCC[C@@H](COC)C1 ZINC000062161000 387851903 /nfs/dbraw/zinc/85/19/03/387851903.db2.gz ZGOOFHPMHSTBBD-SECBINFHSA-N 0 3 200.282 0.091 20 0 BCADHN CNC(=O)CN1CCC[C@H](COC)C1 ZINC000062160999 387852146 /nfs/dbraw/zinc/85/21/46/387852146.db2.gz ZGOOFHPMHSTBBD-VIFPVBQESA-N 0 3 200.282 0.091 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1C[C@@H]1N)[C@H](O)Cc1ccccc1 ZINC000424166527 387853048 /nfs/dbraw/zinc/85/30/48/387853048.db2.gz COGSKOJKHZLXGS-FOUMNBMASA-N 0 3 248.326 0.442 20 0 BCADHN C[C@@H](O)CCN(C)Cc1cccc(C(N)=O)c1 ZINC000075779940 387853071 /nfs/dbraw/zinc/85/30/71/387853071.db2.gz ZFSZLLMXYFMLSA-SNVBAGLBSA-N 0 3 236.315 0.988 20 0 BCADHN COCCN(C)[C@H](CO)COC(C)C ZINC000433158342 387874233 /nfs/dbraw/zinc/87/42/33/387874233.db2.gz JNOLVQZHHGLCHP-SNVBAGLBSA-N 0 3 205.298 0.351 20 0 BCADHN CCOC[C@H](NC(=O)[C@@H]1C[C@@H]1N)C(C)C ZINC000424167895 387857212 /nfs/dbraw/zinc/85/72/12/387857212.db2.gz FFFONQCEWOQNKE-UTLUCORTSA-N 0 3 214.309 0.511 20 0 BCADHN COc1ccc(F)cc1CNC(=O)[C@@H]1C[C@@H]1N ZINC000424167448 387857773 /nfs/dbraw/zinc/85/77/73/387857773.db2.gz DYEGLVHYCVSXQW-ZJUUUORDSA-N 0 3 238.262 0.798 20 0 BCADHN CSCC[C@H](N)C(=O)NC1CC(C)C1 ZINC000157663233 387862223 /nfs/dbraw/zinc/86/22/23/387862223.db2.gz VQVBJGZRPBABHT-HACHORDNSA-N 0 3 216.350 0.982 20 0 BCADHN CCSCC[C@H](C)NC(=O)[C@@H](C)N ZINC000157685889 387864445 /nfs/dbraw/zinc/86/44/45/387864445.db2.gz XUWRWIGVAVUOPQ-JGVFFNPUSA-N 0 3 204.339 0.982 20 0 BCADHN Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H]1C[C@@H]1N ZINC000424169993 387864947 /nfs/dbraw/zinc/86/49/47/387864947.db2.gz ILUSPAAFSBWEPW-DRTBCBBWSA-N 0 3 237.303 0.858 20 0 BCADHN CSCCN(C)CC(C)(CO)CO ZINC000157702944 387866882 /nfs/dbraw/zinc/86/68/82/387866882.db2.gz MBXHCKQFCMHZRV-UHFFFAOYSA-N 0 3 207.339 0.272 20 0 BCADHN CSC[C@@H](C)NC(=O)[C@@H](N)C(C)C ZINC000157741447 387869598 /nfs/dbraw/zinc/86/95/98/387869598.db2.gz GZRYUQGZRHBANO-SFYZADRCSA-N 0 3 204.339 0.837 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)CCCO ZINC000433139632 387869932 /nfs/dbraw/zinc/86/99/32/387869932.db2.gz BSYYHSIGHNJKBE-SNVBAGLBSA-N 0 3 205.298 0.087 20 0 BCADHN CCC[C@@](C)(O)C(=O)NCCN(C)CC ZINC000433146388 387870514 /nfs/dbraw/zinc/87/05/14/387870514.db2.gz VEZPLFZINVJCQP-LLVKDONJSA-N 0 3 216.325 0.605 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)CCn1cccn1 ZINC000433153153 387871867 /nfs/dbraw/zinc/87/18/67/387871867.db2.gz VBKUBXQXJZIVQK-GFCCVEGCSA-N 0 3 241.335 0.601 20 0 BCADHN CCO[C@@]1(C)C[C@H]1N[C@H](C)CC(=O)NC ZINC000527974983 387814346 /nfs/dbraw/zinc/81/43/46/387814346.db2.gz PQGVCBYUUZLZEN-KKZNHRDASA-N 0 3 214.309 0.668 20 0 BCADHN C[C@H](CO)N(C)C[C@H](O)COCC(F)(F)F ZINC000432783918 387818287 /nfs/dbraw/zinc/81/82/87/387818287.db2.gz LVEJIPAYSQXPSN-SFYZADRCSA-N 0 3 245.241 0.239 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H]1CCCN1C ZINC000194692535 387889837 /nfs/dbraw/zinc/88/98/37/387889837.db2.gz BWUUYXNDIQKHTF-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN CCOCC[C@@H](O)CN1CCC[C@@H](OC)C1 ZINC000444611546 387890872 /nfs/dbraw/zinc/89/08/72/387890872.db2.gz QPPROHZARIJHFP-VXGBXAGGSA-N 0 3 231.336 0.885 20 0 BCADHN C[C@@H](Cc1ccccc1F)NC(=O)CN ZINC000153689414 387892008 /nfs/dbraw/zinc/89/20/08/387892008.db2.gz JFWSVTWIAYWQNO-QMMMGPOBSA-N 0 3 210.252 0.832 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1C[C@H]1CCC=CO1 ZINC000194722274 387893746 /nfs/dbraw/zinc/89/37/46/387893746.db2.gz HQNQAXOUBIUFOL-GARJFASQSA-N 0 3 213.277 0.107 20 0 BCADHN Cc1cc(C[C@H](C)NC(=O)[C@@H]2C[C@@H]2N)[nH]n1 ZINC000424183322 387897257 /nfs/dbraw/zinc/89/72/57/387897257.db2.gz VIIGJMNWHRHJHP-QUNWWBBNSA-N 0 3 222.292 0.113 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@H]1CCNCC1(F)F ZINC000424182157 387898267 /nfs/dbraw/zinc/89/82/67/387898267.db2.gz YSAUEMBGRDBEMF-DTWKUNHWSA-N 0 3 249.305 0.331 20 0 BCADHN O=C(Nc1ccc2c(c1)CNC2)[C@H]1CNCCO1 ZINC000424174157 387875787 /nfs/dbraw/zinc/87/57/87/387875787.db2.gz FURXHZHZCDLPIP-GFCCVEGCSA-N 0 3 247.298 0.217 20 0 BCADHN CC/C=C\CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000452616680 387878243 /nfs/dbraw/zinc/87/82/43/387878243.db2.gz WDOVCENUEIKJBS-VSQXVHSFSA-N 0 3 237.347 0.459 20 0 BCADHN CC/C=C/CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000452616674 387878359 /nfs/dbraw/zinc/87/83/59/387878359.db2.gz WDOVCENUEIKJBS-AAOUONPWSA-N 0 3 237.347 0.459 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)NCCN1CCC1 ZINC000443971054 387879792 /nfs/dbraw/zinc/87/97/92/387879792.db2.gz KMPQTYJECKJWEV-RYUDHWBXSA-N 0 3 239.363 0.681 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCc1nnc(C)n1C ZINC000393237653 387880076 /nfs/dbraw/zinc/88/00/76/387880076.db2.gz STDKJJFTTVFMGB-OIBJUYFYSA-N 0 3 239.323 0.113 20 0 BCADHN CC(=O)CCC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000157904854 387883087 /nfs/dbraw/zinc/88/30/87/387883087.db2.gz QXVQYRCXJLLSFF-KOLCDFICSA-N 0 3 226.320 0.955 20 0 BCADHN CC[C@@H](C(N)=O)N(C)CC1(O)CCCC1 ZINC000152389384 387884367 /nfs/dbraw/zinc/88/43/67/387884367.db2.gz BHTYSIMKUHLSMM-VIFPVBQESA-N 0 3 214.309 0.487 20 0 BCADHN C[C@@H](N)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000152461945 387884382 /nfs/dbraw/zinc/88/43/82/387884382.db2.gz SUBUOAQJKCZTBN-UWTATZPHSA-N 0 3 240.210 0.843 20 0 BCADHN CC(C)[C@@H]1CCCN1C(=O)C(=O)N(C)CCN ZINC000423094952 387884844 /nfs/dbraw/zinc/88/48/44/387884844.db2.gz LBMVXCQFYJBWIJ-JTQLQIEISA-N 0 3 241.335 0.051 20 0 BCADHN CCN(CC)CC(=O)NCCCCOC ZINC000194608566 387885328 /nfs/dbraw/zinc/88/53/28/387885328.db2.gz MNSUKXJXCMZVKW-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN CCCCC(=O)NC[C@@](C)(O)CN(C)C ZINC000152722436 387886310 /nfs/dbraw/zinc/88/63/10/387886310.db2.gz OZBXNZNRFQYRGS-LLVKDONJSA-N 0 3 216.325 0.605 20 0 BCADHN O=C(N[C@@H]1CCCN(CCCO)C1)C1CC1 ZINC000586061628 387918077 /nfs/dbraw/zinc/91/80/77/387918077.db2.gz BKESWPJWARJMQR-LLVKDONJSA-N 0 3 226.320 0.359 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000154547977 387899899 /nfs/dbraw/zinc/89/98/99/387899899.db2.gz IQZHLMNFUOLGDS-SCZZXKLOSA-N 0 3 220.272 0.454 20 0 BCADHN CNC(=O)CN(C)CCC[C@@H]1CCOC1 ZINC000645775856 387900004 /nfs/dbraw/zinc/90/00/04/387900004.db2.gz ZKLBPWFRGGWNDX-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN C[C@@H](O)CN1CCN(CC2CCC2)CC1 ZINC000444655242 387900942 /nfs/dbraw/zinc/90/09/42/387900942.db2.gz SLJXLUJUWYPYGV-LLVKDONJSA-N 0 3 212.337 0.785 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H]1CC[C@@H](F)C1 ZINC000423123340 387902883 /nfs/dbraw/zinc/90/28/83/387902883.db2.gz LGBPRKOFDALGIO-VPOLOUISSA-N 0 3 244.310 0.760 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@@H](N)C1CCC1 ZINC000423126450 387905613 /nfs/dbraw/zinc/90/56/13/387905613.db2.gz IUZDUOOGMOLCAL-APPZFPTMSA-N 0 3 228.292 0.039 20 0 BCADHN CCOCC[C@H](O)CN1C[C@@H](C)N(C)C[C@H]1C ZINC000444678561 387905830 /nfs/dbraw/zinc/90/58/30/387905830.db2.gz ZFGYQIWHNIQJAP-UPJWGTAASA-N 0 3 244.379 0.798 20 0 BCADHN CN(CCO[C@@H]1CCCCO1)C1CC(O)C1 ZINC000444681874 387907429 /nfs/dbraw/zinc/90/74/29/387907429.db2.gz XMSNOXVYJFGOIA-HTAVTVPLSA-N 0 3 229.320 0.985 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@H](CC)C(=O)OC ZINC000236805834 387908081 /nfs/dbraw/zinc/90/80/81/387908081.db2.gz JGICCEPKRIMCDD-RKDXNWHRSA-N 0 3 230.308 0.572 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@H](C)C(=O)OCC ZINC000236808615 387908820 /nfs/dbraw/zinc/90/88/20/387908820.db2.gz WLLAEZCEWHKQMP-UWVGGRQHSA-N 0 3 244.335 0.819 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@@H](C)CC(=O)OC ZINC000236829721 387909098 /nfs/dbraw/zinc/90/90/98/387909098.db2.gz AHBIDNSGONINGO-IUCAKERBSA-N 0 3 230.308 0.572 20 0 BCADHN CCCCOCCNC(=O)[C@@H]1NCC1(C)C ZINC000645786658 387910766 /nfs/dbraw/zinc/91/07/66/387910766.db2.gz OPVPHGMKBTYVIL-JTQLQIEISA-N 0 3 228.336 0.917 20 0 BCADHN CN(C)c1ccccc1CN1C[C@@H](O)[C@@H](O)C1 ZINC000444688986 387911395 /nfs/dbraw/zinc/91/13/95/387911395.db2.gz DVCNKLDPIJQCKP-BETUJISGSA-N 0 3 236.315 0.290 20 0 BCADHN OC[C@H]1CCCN1C[C@H](O)CC1(O)CCC1 ZINC000528360134 387911400 /nfs/dbraw/zinc/91/14/00/387911400.db2.gz SZPTXINCAXJXDI-GHMZBOCLSA-N 0 3 229.320 0.109 20 0 BCADHN CCOCC[C@H](O)CN1C[C@@H](OC)[C@@H](OC)C1 ZINC000444690278 387911577 /nfs/dbraw/zinc/91/15/77/387911577.db2.gz JKHYNQFWEQFHRN-SDDRHHMPSA-N 0 3 247.335 0.120 20 0 BCADHN O[C@@H]1CN(CCCc2ccsc2)C[C@H]1O ZINC000444696831 387912793 /nfs/dbraw/zinc/91/27/93/387912793.db2.gz JFMFZEGZRAMWTR-GHMZBOCLSA-N 0 3 227.329 0.718 20 0 BCADHN CC(C)(C)OCCCCN1C[C@@H](O)[C@@H](O)C1 ZINC000444700944 387913109 /nfs/dbraw/zinc/91/31/09/387913109.db2.gz GTRLNQWXOFZORI-PHIMTYICSA-N 0 3 231.336 0.619 20 0 BCADHN CCN(C[C@H]1CCOC1)C(=O)[C@@H]1NCC1(C)C ZINC000645790828 387914467 /nfs/dbraw/zinc/91/44/67/387914467.db2.gz VIVHAAJAALDKBF-MNOVXSKESA-N 0 3 240.347 0.869 20 0 BCADHN Cc1nccn1CCCCN1C[C@@H](O)[C@H](O)C1 ZINC000444710935 387915239 /nfs/dbraw/zinc/91/52/39/387915239.db2.gz WDKWKCBUHFBNNQ-VXGBXAGGSA-N 0 3 239.319 0.009 20 0 BCADHN COCC(=O)NC1CCN(C2CC2)CC1 ZINC000043963267 387915629 /nfs/dbraw/zinc/91/56/29/387915629.db2.gz QSAGTZNWDGQSJO-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN OCCN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444729673 387917465 /nfs/dbraw/zinc/91/74/65/387917465.db2.gz SDHRDAANLSEXSZ-YUMQZZPRSA-N 0 3 227.226 0.614 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N[C@@H]1CC12CC2 ZINC000424216652 387932584 /nfs/dbraw/zinc/93/25/84/387932584.db2.gz BJPNVLMYYYVEEZ-NTSWFWBYSA-N 0 3 204.220 0.638 20 0 BCADHN Cn1cc(C(=O)N2CCN3CCC[C@@H]3C2)cn1 ZINC000195320423 387920221 /nfs/dbraw/zinc/92/02/21/387920221.db2.gz VITTZRFQFIKVFD-LLVKDONJSA-N 0 3 234.303 0.340 20 0 BCADHN O=C1NCCN1[C@H]1CCCN(CCCCO)C1 ZINC000533032229 387920442 /nfs/dbraw/zinc/92/04/42/387920442.db2.gz HHNMSKFAJZYPIE-NSHDSACASA-N 0 3 241.335 0.249 20 0 BCADHN Cn1cc(C(=O)N2CCN3CCC[C@H]3C2)cn1 ZINC000195320429 387920630 /nfs/dbraw/zinc/92/06/30/387920630.db2.gz VITTZRFQFIKVFD-NSHDSACASA-N 0 3 234.303 0.340 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)[C@H]1CCC[C@@H](F)C1 ZINC000424196536 387922664 /nfs/dbraw/zinc/92/26/64/387922664.db2.gz MZRCUZXECHTPRO-AXFHLTTASA-N 0 3 244.310 0.619 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@]1(C)CCCCN1 ZINC000237215192 387924176 /nfs/dbraw/zinc/92/41/76/387924176.db2.gz DZYHNYRRNJZSJU-CABZTGNLSA-N 0 3 242.319 0.586 20 0 BCADHN CNCC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000237261928 387924225 /nfs/dbraw/zinc/92/42/25/387924225.db2.gz IBRUSSWZRZCWKU-MNOVXSKESA-N 0 3 236.319 0.702 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@H](N)C(C)(C)C ZINC000237202454 387925135 /nfs/dbraw/zinc/92/51/35/387925135.db2.gz YFRLKRPQMYQBHW-APPZFPTMSA-N 0 3 230.308 0.428 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@H](N)C(C)(C)C ZINC000237214830 387925797 /nfs/dbraw/zinc/92/57/97/387925797.db2.gz YFRLKRPQMYQBHW-CBAPKCEASA-N 0 3 230.308 0.428 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000424199504 387926356 /nfs/dbraw/zinc/92/63/56/387926356.db2.gz FGQWUTWSFUOTPP-UTINFBMNSA-N 0 3 240.303 0.182 20 0 BCADHN C[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1CNCCO1 ZINC000424203615 387928071 /nfs/dbraw/zinc/92/80/71/387928071.db2.gz UKAJFNDYWWUGRM-IJLUTSLNSA-N 0 3 240.347 0.917 20 0 BCADHN CC(C)NC(=O)NCCN(CCCO)C1CC1 ZINC000645805180 387952283 /nfs/dbraw/zinc/95/22/83/387952283.db2.gz VQNPUAKTKUJYBD-UHFFFAOYSA-N 0 3 243.351 0.541 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1CCOCC1CCCC1 ZINC000459392141 387937729 /nfs/dbraw/zinc/93/77/29/387937729.db2.gz PDGBRDAFJLLRPF-STQMWFEESA-N 0 3 243.347 0.621 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@@H]1CC12CC2 ZINC000424222368 387937898 /nfs/dbraw/zinc/93/78/98/387937898.db2.gz MITRWZXPQYCZOW-HTQZYQBOSA-N 0 3 214.334 0.736 20 0 BCADHN CN(C(=O)CNC[C@@H]1CCCO1)[C@H]1CCOC1 ZINC000156206886 387938720 /nfs/dbraw/zinc/93/87/20/387938720.db2.gz AKVNOSMYOFRSSK-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN CC[C@H]1[C@H](CO)CCN1C(=O)CN(C)C(C)C ZINC000452963977 387945459 /nfs/dbraw/zinc/94/54/59/387945459.db2.gz UNXKINJZSWXADA-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC[C@@H](CC(N)=O)C1 ZINC000245482387 387949582 /nfs/dbraw/zinc/94/95/82/387949582.db2.gz ZGSVVFHDHIHJRS-UWVGGRQHSA-N 0 3 241.335 0.051 20 0 BCADHN COC[C@@H](C)CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452974455 387950091 /nfs/dbraw/zinc/95/00/91/387950091.db2.gz LTIKTEIDSMZVRN-SDDRHHMPSA-N 0 3 240.347 0.822 20 0 BCADHN CC[C@@H](N)C(=O)NC1CCN(CC(F)F)CC1 ZINC000645805809 387950628 /nfs/dbraw/zinc/95/06/28/387950628.db2.gz NZPUYGKLXANNST-SECBINFHSA-N 0 3 249.305 0.569 20 0 BCADHN COCCN(C)CCC(=O)N1CCC[C@@H]1C ZINC000438830050 387959100 /nfs/dbraw/zinc/95/91/00/387959100.db2.gz FRKGLMVCWCMMHG-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN COC(=O)[C@@H](O)C1CCN(CC[C@H](C)O)CC1 ZINC000438993922 387972114 /nfs/dbraw/zinc/97/21/14/387972114.db2.gz XKNUZZFQWLEMCZ-ONGXEEELSA-N 0 3 245.319 0.003 20 0 BCADHN CC[C@@](C)(OC)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453016300 387962469 /nfs/dbraw/zinc/96/24/69/387962469.db2.gz WBFSUQCURKZTNB-DMDPSCGWSA-N 0 3 240.347 0.964 20 0 BCADHN CN(Cc1cccnc1)C(=O)COC1CNC1 ZINC000438929390 387964250 /nfs/dbraw/zinc/96/42/50/387964250.db2.gz SUCZBIMHPHTUNQ-UHFFFAOYSA-N 0 3 235.287 0.028 20 0 BCADHN CC[C@](C)(CNCC(=O)NCC1CC1)OC ZINC000322672920 387964197 /nfs/dbraw/zinc/96/41/97/387964197.db2.gz GGNBMPYQRRUCNN-GFCCVEGCSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@]1(C(=O)NCCN2CCCC2)CCCO1 ZINC000445759298 387964814 /nfs/dbraw/zinc/96/48/14/387964814.db2.gz SGWZUWHQHXXONV-GFCCVEGCSA-N 0 3 226.320 0.768 20 0 BCADHN CC[C@@H](CN1CCC[C@H]1C(=O)N(C)C)OC ZINC000419195377 387965763 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/nfs/dbraw/zinc/96/85/24/387968524.db2.gz BXLZXEIJIKTYSE-NXEZZACHSA-N 0 3 241.335 0.098 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCOC3)C[C@@H]21 ZINC000453037633 387968713 /nfs/dbraw/zinc/96/87/13/387968713.db2.gz PFMWGSNSIVUMPJ-UTUOFQBUSA-N 0 3 238.331 0.576 20 0 BCADHN COC[C@@H]1CN([C@H]2CCCC[C@H]2O)CCO1 ZINC000245639339 387969373 /nfs/dbraw/zinc/96/93/73/387969373.db2.gz SAEIHUWOUJOBJV-SDDRHHMPSA-N 0 3 229.320 0.637 20 0 BCADHN CC(C)OCCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453042223 387969495 /nfs/dbraw/zinc/96/94/95/387969495.db2.gz VIMQCOPWLXNAHU-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCCS1)N(C)C ZINC000438973802 387970185 /nfs/dbraw/zinc/97/01/85/387970185.db2.gz YZWMQFBNHTXTMN-BDAKNGLRSA-N 0 3 216.350 0.948 20 0 BCADHN COCCNC(=O)N(CCN(C)C)C(C)C ZINC000158898953 387970468 /nfs/dbraw/zinc/97/04/68/387970468.db2.gz HTMAHCKARHXKSW-UHFFFAOYSA-N 0 3 231.340 0.614 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@H](N)C1CCC1 ZINC000423185768 387970548 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/nfs/dbraw/zinc/97/52/06/387975206.db2.gz XRMPZTCOIVXBNM-NWDGAFQWSA-N 0 3 237.347 0.435 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000245705542 387975738 /nfs/dbraw/zinc/97/57/38/387975738.db2.gz XBJNMFUWTKIRED-VWYCJHECSA-N 0 3 224.304 0.376 20 0 BCADHN CC[C@]1(CO)CCCN1CC(=O)N1CCC1 ZINC000439286199 387991584 /nfs/dbraw/zinc/99/15/84/387991584.db2.gz QVZWZIPSNMRNCF-GFCCVEGCSA-N 0 3 226.320 0.456 20 0 BCADHN C[C@H](N[C@]1(C)CCO[C@H]1C)C(=O)NC1CC1 ZINC000300362351 387992458 /nfs/dbraw/zinc/99/24/58/387992458.db2.gz CEEWKWORVLPXMJ-HOTUBEGUSA-N 0 3 226.320 0.811 20 0 BCADHN C[C@@H](N(C)CC(=O)N1CCNC1=O)C(C)(C)C ZINC000045769517 387994511 /nfs/dbraw/zinc/99/45/11/387994511.db2.gz GOOSWSBRMMNREK-SECBINFHSA-N 0 3 241.335 0.905 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000423200188 387986331 /nfs/dbraw/zinc/98/63/31/387986331.db2.gz DSSSMWRJYFUUAQ-IJLUTSLNSA-N 0 3 242.363 0.898 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@@H](N)[C@H](C)CC ZINC000159140257 387986932 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/nfs/dbraw/zinc/01/43/43/388014343.db2.gz JGAHUDPZKVIGPI-JTQLQIEISA-N 0 3 249.376 0.826 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@@H](C)CCCO ZINC000087360126 135125414 /nfs/dbraw/zinc/12/54/14/135125414.db2.gz GODFSDIMBAAQIA-VHSXEESVSA-N 0 3 216.325 0.781 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2csnn2)C1 ZINC000108334138 388015513 /nfs/dbraw/zinc/01/55/13/388015513.db2.gz AZCMSQCIIXFPQZ-MRVPVSSYSA-N 0 3 240.332 0.610 20 0 BCADHN CC(C)(C)N(CC(N)=O)C[C@H]1CCCOC1 ZINC000533199711 388015632 /nfs/dbraw/zinc/01/56/32/388015632.db2.gz XNFLKKUXJOQJBA-SNVBAGLBSA-N 0 3 228.336 0.999 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000446377108 388016669 /nfs/dbraw/zinc/01/66/69/388016669.db2.gz PHEOOKAYDACXQM-JGVFFNPUSA-N 0 3 226.255 0.034 20 0 BCADHN CCc1nnc(NC(=O)CNC)s1 ZINC000082256315 388019673 /nfs/dbraw/zinc/01/96/73/388019673.db2.gz RLWPRUFTLREEPP-UHFFFAOYSA-N 0 3 200.267 0.258 20 0 BCADHN CO[C@H]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000446417823 388019884 /nfs/dbraw/zinc/01/98/84/388019884.db2.gz LDNYUXRMWYYPIJ-YTWAJWBKSA-N 0 3 244.310 0.618 20 0 BCADHN NC(=O)[C@@H]1CCCN1C[C@H](O)C1CCCCC1 ZINC000249134703 388022688 /nfs/dbraw/zinc/02/26/88/388022688.db2.gz VHQYTMVTERUWKX-RYUDHWBXSA-N 0 3 240.347 0.877 20 0 BCADHN COCCCNC(=O)NC[C@H]1CCCN(C)C1 ZINC000108537091 388033971 /nfs/dbraw/zinc/03/39/71/388033971.db2.gz JKKONEQPAYIHJC-LLVKDONJSA-N 0 3 243.351 0.664 20 0 BCADHN C[C@@H](N[C@@H]1CCC(=O)NC1)c1cnn(C)c1 ZINC000082515237 388035911 /nfs/dbraw/zinc/03/59/11/388035911.db2.gz RDUPCMBUKLIHPN-PSASIEDQSA-N 0 3 222.292 0.349 20 0 BCADHN CC(C)N(C)CC(=O)N(CCO)C1CCC1 ZINC000440170910 388036098 /nfs/dbraw/zinc/03/60/98/388036098.db2.gz UMMNHEJSDVXXOX-UHFFFAOYSA-N 0 3 228.336 0.700 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)Nc2cc(C)[nH]n2)C1 ZINC000082617744 388037272 /nfs/dbraw/zinc/03/72/72/388037272.db2.gz KQDTYENCWUQKBB-JGVFFNPUSA-N 0 3 224.264 0.034 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)NCC1(C)COC1 ZINC000082694070 388040130 /nfs/dbraw/zinc/04/01/30/388040130.db2.gz HOKFDBIGNDDHPJ-NXEZZACHSA-N 0 3 228.336 0.916 20 0 BCADHN CCOCCNC(=O)CN1C[C@H](C)C[C@H]1C ZINC000440359441 388040194 /nfs/dbraw/zinc/04/01/94/388040194.db2.gz PFOSDGBYXUVZOQ-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN NC(=O)C[C@H]1CCCCN1Cc1ccno1 ZINC000533271975 388041662 /nfs/dbraw/zinc/04/16/62/388041662.db2.gz REDATVCQNDXTBK-SECBINFHSA-N 0 3 223.276 0.905 20 0 BCADHN C[C@@H](N)C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000069909653 388041643 /nfs/dbraw/zinc/04/16/43/388041643.db2.gz SWKNIEVHHWCGPR-GJMOJQLCSA-N 0 3 202.323 0.686 20 0 BCADHN CCNC(=O)CN1CCCC[C@@H]1[C@H](C)O ZINC000246300874 388029142 /nfs/dbraw/zinc/02/91/42/388029142.db2.gz DTMNMVFSAUYRAB-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN CC[C@H](O)CN1CCSC[C@H]1CC(=O)OC ZINC000246295824 388029357 /nfs/dbraw/zinc/02/93/57/388029357.db2.gz WXCJRCKASRNMKQ-ZJUUUORDSA-N 0 3 247.360 0.738 20 0 BCADHN COC1(CO)CCN(Cc2cccn2C)CC1 ZINC000447088964 388053670 /nfs/dbraw/zinc/05/36/70/388053670.db2.gz UHDCRXDLEJPBFB-UHFFFAOYSA-N 0 3 238.331 0.998 20 0 BCADHN CNCC(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000440576645 388056075 /nfs/dbraw/zinc/05/60/75/388056075.db2.gz RKJZQXPMCZVYEN-GHMZBOCLSA-N 0 3 228.336 0.653 20 0 BCADHN COC[C@@H](C)OC[C@@H](O)CN1CC[C@H](OC)C1 ZINC000447306802 388059268 /nfs/dbraw/zinc/05/92/68/388059268.db2.gz VIECNKKDKMADAR-WOPDTQHZSA-N 0 3 247.335 0.120 20 0 BCADHN COC[C@@H](C)OC[C@H](O)CN1CC[C@H](OC)C1 ZINC000447306801 388059404 /nfs/dbraw/zinc/05/94/04/388059404.db2.gz VIECNKKDKMADAR-UTUOFQBUSA-N 0 3 247.335 0.120 20 0 BCADHN CC(=O)c1ccc(C(=O)NCCN)s1 ZINC000261527595 135152170 /nfs/dbraw/zinc/15/21/70/135152170.db2.gz DHJVLQVCKQBMNO-UHFFFAOYSA-N 0 3 212.274 0.639 20 0 BCADHN NC1(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000083834911 388063236 /nfs/dbraw/zinc/06/32/36/388063236.db2.gz VFRMYYPMSBLKHW-VHSXEESVSA-N 0 3 224.304 0.648 20 0 BCADHN NC1(C(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000083834913 388063930 /nfs/dbraw/zinc/06/39/30/388063930.db2.gz VFRMYYPMSBLKHW-UWVGGRQHSA-N 0 3 224.304 0.648 20 0 BCADHN NCC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000083889437 388064904 /nfs/dbraw/zinc/06/49/04/388064904.db2.gz NEGXWPAKEPAANI-NSHDSACASA-N 0 3 233.315 0.588 20 0 BCADHN CNCC(=O)N1CCOC[C@H]1c1ccccc1 ZINC000083886896 388065450 /nfs/dbraw/zinc/06/54/50/388065450.db2.gz PHSUJJJGUGWIES-LBPRGKRZSA-N 0 3 234.299 0.806 20 0 BCADHN Cc1ccccc1[C@@H]1CN(C(=O)CN)CCO1 ZINC000083889168 388065847 /nfs/dbraw/zinc/06/58/47/388065847.db2.gz AITFDDQCFMCHAT-LBPRGKRZSA-N 0 3 234.299 0.854 20 0 BCADHN COc1cccc2c1OCC[C@H]2NC(=O)CN ZINC000083932932 388066999 /nfs/dbraw/zinc/06/69/99/388066999.db2.gz MJZBZAFIWMMCEL-SECBINFHSA-N 0 3 236.271 0.594 20 0 BCADHN CCN(C)C(=O)CN[C@]1(CCOC)CCOC1 ZINC000447402898 388068378 /nfs/dbraw/zinc/06/83/78/388068378.db2.gz BMCKUBXOKHHCJJ-GFCCVEGCSA-N 0 3 244.335 0.250 20 0 BCADHN COCCO[C@@H]1C[C@@H](CO)CN(CCCF)C1 ZINC000447399406 388069471 /nfs/dbraw/zinc/06/94/71/388069471.db2.gz XNYSNJZFUXDEMF-VXGBXAGGSA-N 0 3 249.326 0.692 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000084091183 388072169 /nfs/dbraw/zinc/07/21/69/388072169.db2.gz NLDJPFDAHFGVLR-ZJUUUORDSA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000084091361 388072392 /nfs/dbraw/zinc/07/23/92/388072392.db2.gz PKERZIHAXOKNIV-QXEWZRGKSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H](N[C@@H](COC)C1CC1)C(=O)NC ZINC000453401888 388073367 /nfs/dbraw/zinc/07/33/67/388073367.db2.gz LTEHYTHQAOODMR-UWVGGRQHSA-N 0 3 214.309 0.526 20 0 BCADHN CC[C@@H](N[C@@H](COC)C1CC1)C(=O)NC ZINC000453401890 388073496 /nfs/dbraw/zinc/07/34/96/388073496.db2.gz LTEHYTHQAOODMR-ZJUUUORDSA-N 0 3 214.309 0.526 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@](C)(O)C1CC1 ZINC000336658366 388074403 /nfs/dbraw/zinc/07/44/03/388074403.db2.gz ITDFUKGGUZSNDV-KOLCDFICSA-N 0 3 249.376 0.560 20 0 BCADHN Cn1cccc1CNC[C@H]1CN2CCC[C@@H]2CO1 ZINC000084224872 388075370 /nfs/dbraw/zinc/07/53/70/388075370.db2.gz LYMSDGURTDUHSM-KGLIPLIRSA-N 0 3 249.358 0.978 20 0 BCADHN Cc1c(C(=O)NCCN2CCCC2)cnn1C ZINC000055177578 388080744 /nfs/dbraw/zinc/08/07/44/388080744.db2.gz ZXBCEMZYJKFMNO-UHFFFAOYSA-N 0 3 236.319 0.554 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NC[C@@H]1CCC=CO1 ZINC000195007185 388082279 /nfs/dbraw/zinc/08/22/79/388082279.db2.gz YNLINRZPXADXCU-VWYCJHECSA-N 0 3 224.304 0.793 20 0 BCADHN CCN1CCCC[C@H]1C(=O)NCCCCO ZINC000195013780 388082944 /nfs/dbraw/zinc/08/29/44/388082944.db2.gz RRLLVARGVGQFET-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN C[C@@H]1CC[C@H](NC(=O)C(=O)NCCN)C[C@@H]1C ZINC000085038902 388082936 /nfs/dbraw/zinc/08/29/36/388082936.db2.gz RTTYSDDFIYEQIN-UTLUCORTSA-N 0 3 241.335 0.002 20 0 BCADHN C[C@H](O)CCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000447630811 388084068 /nfs/dbraw/zinc/08/40/68/388084068.db2.gz SMCUVPGSLTXEAY-CMPLNLGQSA-N 0 3 240.347 0.890 20 0 BCADHN CC[C@H](C(=O)N(C)CCCCCO)N(C)C ZINC000447649031 388085467 /nfs/dbraw/zinc/08/54/67/388085467.db2.gz RXOFTEUHTGAEBV-LLVKDONJSA-N 0 3 230.352 0.948 20 0 BCADHN C[C@H]1COCC[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000192567748 388086096 /nfs/dbraw/zinc/08/60/96/388086096.db2.gz DDIPYAHOKJHMPT-SDDRHHMPSA-N 0 3 240.347 0.869 20 0 BCADHN CC1(C(N)=O)CN(C[C@@H](O)CC2CCCC2)C1 ZINC000645958751 388086717 /nfs/dbraw/zinc/08/67/17/388086717.db2.gz JNOAJZYVCQRFJV-NSHDSACASA-N 0 3 240.347 0.735 20 0 BCADHN COc1ccc(CNC[C@]2(C)CCC(=O)N2)cn1 ZINC000453589601 388087590 /nfs/dbraw/zinc/08/75/90/388087590.db2.gz NLFHLVLGYWRVAR-ZDUSSCGKSA-N 0 3 249.314 0.849 20 0 BCADHN CC1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000085618614 388093026 /nfs/dbraw/zinc/09/30/26/388093026.db2.gz XGAUJQFSUYSWAK-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN CN(C)C(=O)CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085672099 388093279 /nfs/dbraw/zinc/09/32/79/388093279.db2.gz OAZJKYAFFNASLG-WCQGTBRESA-N 0 3 240.347 0.868 20 0 BCADHN CCN(CC1CC1)C(=O)C[C@@H]1CNCCO1 ZINC000085620233 388093538 /nfs/dbraw/zinc/09/35/38/388093538.db2.gz UMRRWQKSLHBSEN-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](CO)CN1CCO[C@@]2(CCSC2)C1 ZINC000645965296 388094488 /nfs/dbraw/zinc/09/44/88/388094488.db2.gz ZMMGZCGQYDYZMK-MNOVXSKESA-N 0 3 231.361 0.823 20 0 BCADHN CNC(=O)CCN1CCO[C@H](C(C)(C)C)C1 ZINC000447830491 388095024 /nfs/dbraw/zinc/09/50/24/388095024.db2.gz VIDVHMPYWRPQNK-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](O)CN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000118409526 388095346 /nfs/dbraw/zinc/09/53/46/388095346.db2.gz QQFBWUWTEOTPJJ-UWVGGRQHSA-N 0 3 244.335 0.966 20 0 BCADHN CSCC[C@H](CO)NCc1c(C)cnn1C ZINC000336660692 388095450 /nfs/dbraw/zinc/09/54/50/388095450.db2.gz CLTMNAAWVDSNBA-SNVBAGLBSA-N 0 3 243.376 0.932 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2ccncc2)[C@@H](C)CN1 ZINC000086468110 388102351 /nfs/dbraw/zinc/10/23/51/388102351.db2.gz XDJIPDFVNGVYNX-MNOVXSKESA-N 0 3 233.315 0.833 20 0 BCADHN C[C@@H](CNC(=O)C(=O)c1ccc[nH]1)N(C)C1CC1 ZINC000454157264 388102793 /nfs/dbraw/zinc/10/27/93/388102793.db2.gz CPGMXBCHIPVGPZ-VIFPVBQESA-N 0 3 249.314 0.796 20 0 BCADHN CCOC[C@@H](O)CNCc1c(C)nn(C)c1C ZINC000086507414 388104837 /nfs/dbraw/zinc/10/48/37/388104837.db2.gz TYNNMTYJBAOADN-NSHDSACASA-N 0 3 241.335 0.524 20 0 BCADHN Cc1nn(C)cc1CN[C@H](CO)[C@@H]1CCCO1 ZINC000447969120 388105376 /nfs/dbraw/zinc/10/53/76/388105376.db2.gz UPWBEWFGHRELCX-NEPJUHHUSA-N 0 3 239.319 0.358 20 0 BCADHN CN(Cc1cc[nH]n1)C(=O)[C@H]1NCC1(C)C ZINC000645973436 388110263 /nfs/dbraw/zinc/11/02/63/388110263.db2.gz KVHPUWLOUBTIGV-SECBINFHSA-N 0 3 222.292 0.366 20 0 BCADHN COCCNCC(=O)N[C@@H]1CCCC1(C)C ZINC000086877381 388110359 /nfs/dbraw/zinc/11/03/59/388110359.db2.gz NIXQUTLFVLXQSZ-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@@H](CNC(=O)c1ccc[nH]c1=O)N1CCCC1 ZINC000057308241 388113341 /nfs/dbraw/zinc/11/33/41/388113341.db2.gz IUVZGKNJNGDWIW-JTQLQIEISA-N 0 3 249.314 0.589 20 0 BCADHN O=S(=O)(CC1CC1)N1CCCNCC1 ZINC000083146592 388045941 /nfs/dbraw/zinc/04/59/41/388045941.db2.gz VEEAZXJVBKVUMX-UHFFFAOYSA-N 0 3 218.322 0.022 20 0 BCADHN CCOC[C@@H](O)CN1CC(C(C)(C)O)C1 ZINC000447002352 388047339 /nfs/dbraw/zinc/04/73/39/388047339.db2.gz AFXXBJQSBBGOHQ-JTQLQIEISA-N 0 3 217.309 0.087 20 0 BCADHN C[C@H](Cc1ccoc1)N[C@@H]1COC[C@H]1O ZINC000453329252 388047683 /nfs/dbraw/zinc/04/76/83/388047683.db2.gz CTSNVTQHNWDLCA-FBIMIBRVSA-N 0 3 211.261 0.560 20 0 BCADHN COC(=O)CCCCNC(=O)[C@@H](N)C(C)C ZINC000083357485 388049117 /nfs/dbraw/zinc/04/91/17/388049117.db2.gz TXVBMELQRAKVCJ-JTQLQIEISA-N 0 3 230.308 0.429 20 0 BCADHN C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(=O)[n-][nH]1 ZINC000162347941 388155440 /nfs/dbraw/zinc/15/54/40/388155440.db2.gz OAWQUXDYQHECDJ-YUMQZZPRSA-N 0 3 210.281 0.766 20 0 BCADHN Cc1ccccc1[C@@H](N)C(=O)NCc1c[nH]nn1 ZINC000646142188 388155848 /nfs/dbraw/zinc/15/58/48/388155848.db2.gz APBNFGKFPMYBSF-LLVKDONJSA-N 0 3 245.286 0.429 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000646145973 388156694 /nfs/dbraw/zinc/15/66/94/388156694.db2.gz HYJCYHYZKNZFHN-MNOVXSKESA-N 0 3 240.347 0.869 20 0 BCADHN COc1ccc(-n2cc(CNCCO)cn2)cc1 ZINC000449219184 388158625 /nfs/dbraw/zinc/15/86/25/388158625.db2.gz MNMUAHMUYFTITH-UHFFFAOYSA-N 0 3 247.298 0.963 20 0 BCADHN C[C@H]1COCC[C@H]1C(=O)NCCN(C)C ZINC000195311799 388158769 /nfs/dbraw/zinc/15/87/69/388158769.db2.gz KAYDAEOIHCMVTJ-VHSXEESVSA-N 0 3 214.309 0.337 20 0 BCADHN C/C=C/C[C@H](CO)NC(=O)NC[C@H](C)N(C)C ZINC000455435741 388160529 /nfs/dbraw/zinc/16/05/29/388160529.db2.gz SXUYCDOWFZHYKD-PFDYWKIBSA-N 0 3 243.351 0.563 20 0 BCADHN CC[C@@H]1CN(C(=O)NC[C@H](C)N(C)C)CCO1 ZINC000455439727 388160623 /nfs/dbraw/zinc/16/06/23/388160623.db2.gz LCGIRRSEMPTBHF-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN CCCC[C@H](C)C(=O)N[C@H](CO)CN(C)C ZINC000646209164 388164401 /nfs/dbraw/zinc/16/44/01/388164401.db2.gz YFBVLPDHGFEJEQ-QWRGUYRKSA-N 0 3 230.352 0.851 20 0 BCADHN CCc1occc1C(=O)N[C@H](CO)CN(C)C ZINC000646209635 388164856 /nfs/dbraw/zinc/16/48/56/388164856.db2.gz NVISIOHJMITAAP-VIFPVBQESA-N 0 3 240.303 0.494 20 0 BCADHN COCCC(C)(C)C(=O)N[C@@H](CO)CN(C)C ZINC000646210778 388165096 /nfs/dbraw/zinc/16/50/96/388165096.db2.gz HHDKBQBCBBFYSG-SNVBAGLBSA-N 0 3 246.351 0.088 20 0 BCADHN CCC(C)(CC)C(=O)N[C@@H](CO)CN(C)C ZINC000646211155 388165470 /nfs/dbraw/zinc/16/54/70/388165470.db2.gz UZLOMMNODYIIBC-SNVBAGLBSA-N 0 3 230.352 0.851 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCN2CCOC[C@@H]2C1 ZINC000488567130 388187906 /nfs/dbraw/zinc/18/79/06/388187906.db2.gz YSYMELQZUPHQTL-UTUOFQBUSA-N 0 3 210.321 0.659 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)C1(N)CCC1 ZINC000449284839 388167613 /nfs/dbraw/zinc/16/76/13/388167613.db2.gz PAJZQQTYCAIVLR-MRVPVSSYSA-N 0 3 228.292 0.183 20 0 BCADHN O=C(c1ccn[nH]1)N1CCc2nc[nH]c2C1 ZINC000646258246 388171993 /nfs/dbraw/zinc/17/19/93/388171993.db2.gz LKJDRGBPFUAGEC-UHFFFAOYSA-N 0 3 217.232 0.331 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCN2CCOC[C@H]2C1 ZINC000488567126 388188258 /nfs/dbraw/zinc/18/82/58/388188258.db2.gz YSYMELQZUPHQTL-GRYCIOLGSA-N 0 3 210.321 0.659 20 0 BCADHN CC[C@H](N)C(=O)NCc1noc(C2CC2)n1 ZINC000646279348 388175366 /nfs/dbraw/zinc/17/53/66/388175366.db2.gz QBQGCOJXHPTQML-ZETCQYMHSA-N 0 3 224.264 0.301 20 0 BCADHN CCCN(C)CC(=O)N(C)[C@@H](C)C(C)(C)O ZINC000456100490 388177965 /nfs/dbraw/zinc/17/79/65/388177965.db2.gz NZTUYVRCZIFAFL-JTQLQIEISA-N 0 3 230.352 0.946 20 0 BCADHN C[C@@H]1CN(C(=O)CCCCC(N)=O)[C@@H](C)CN1 ZINC000646298682 388178664 /nfs/dbraw/zinc/17/86/64/388178664.db2.gz AAEMWYYDQPBCQC-ZJUUUORDSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@@H]1CN(C(=O)CCc2ccncn2)[C@H](C)CN1 ZINC000646298684 388178739 /nfs/dbraw/zinc/17/87/39/388178739.db2.gz AKJPRBHDTIUQPF-GHMZBOCLSA-N 0 3 248.330 0.618 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1cncnc1 ZINC000646298807 388178942 /nfs/dbraw/zinc/17/89/42/388178942.db2.gz RXOORUIXLAQTSD-VHSXEESVSA-N 0 3 234.303 0.228 20 0 BCADHN C[C@H]1CN(Cc2cnnn2C)CCN(C2CC2)C1 ZINC000449350067 388179177 /nfs/dbraw/zinc/17/91/77/388179177.db2.gz YIKQQVHWTWTYMM-NSHDSACASA-N 0 3 249.362 0.731 20 0 BCADHN CCC[C@](C)(O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456172181 388182978 /nfs/dbraw/zinc/18/29/78/388182978.db2.gz RZCWQLDKFSLNPT-LOWVWBTDSA-N 0 3 240.347 0.700 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CC(C)(CO)C1 ZINC000456225750 388183996 /nfs/dbraw/zinc/18/39/96/388183996.db2.gz CJZVMUAFSNSBLI-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H](C)O ZINC000456246816 388188645 /nfs/dbraw/zinc/18/86/45/388188645.db2.gz LUZIYOCUKWUHMV-AXFHLTTASA-N 0 3 230.352 0.848 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)CC1(O)CCC1 ZINC000448884154 388117114 /nfs/dbraw/zinc/11/71/14/388117114.db2.gz SOBGNQUQHLFUAU-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@H](O)CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000448882242 388117229 /nfs/dbraw/zinc/11/72/29/388117229.db2.gz NIASCUZFTMCELA-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)CC1(O)CCC1 ZINC000448884153 388117269 /nfs/dbraw/zinc/11/72/69/388117269.db2.gz SOBGNQUQHLFUAU-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@@H](O)CC(=O)NC[C@H](C)N(C)C1CC1 ZINC000448891884 388117812 /nfs/dbraw/zinc/11/78/12/388117812.db2.gz XECJKGCIGDJFDH-GXSJLCMTSA-N 0 3 228.336 0.746 20 0 BCADHN CC/C=C\CNC(=O)NCCN(C)CCOC ZINC000454446759 388118222 /nfs/dbraw/zinc/11/82/22/388118222.db2.gz UXYCNVRURCYOAR-WAYWQWQTSA-N 0 3 243.351 0.830 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1CCSC1)N(C)C ZINC000454590741 388124412 /nfs/dbraw/zinc/12/44/12/388124412.db2.gz MKALWMPSTKOZAX-DTWKUNHWSA-N 0 3 231.365 0.741 20 0 BCADHN O=C(NC(CF)CF)N[C@H]1CCN(C2CC2)C1 ZINC000454652596 388128028 /nfs/dbraw/zinc/12/80/28/388128028.db2.gz WCOCOQOLLSQDKU-QMMMGPOBSA-N 0 3 247.289 0.830 20 0 BCADHN Cc1cc(CC(=O)NC2CCN(C)CC2)n[nH]1 ZINC000151574368 388131378 /nfs/dbraw/zinc/13/13/78/388131378.db2.gz FSXZTRBMFKYTSB-UHFFFAOYSA-N 0 3 236.319 0.471 20 0 BCADHN Cc1cc(CC(=O)NC2CCN(C)CC2)[nH]n1 ZINC000151574368 388131381 /nfs/dbraw/zinc/13/13/81/388131381.db2.gz FSXZTRBMFKYTSB-UHFFFAOYSA-N 0 3 236.319 0.471 20 0 BCADHN CCN1CCC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC000249610354 388131512 /nfs/dbraw/zinc/13/15/12/388131512.db2.gz GXRNFKWDNALRKG-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN CC(=O)NCCN(C)CCCc1cnn(C)c1 ZINC000646045571 388131709 /nfs/dbraw/zinc/13/17/09/388131709.db2.gz IMQVIGWVGNUZEJ-UHFFFAOYSA-N 0 3 238.335 0.421 20 0 BCADHN CC(=O)NCCN(C)C[C@@H](O)C(C)(C)C ZINC000646047559 388132632 /nfs/dbraw/zinc/13/26/32/388132632.db2.gz UYUXUXFGHOAWGF-SNVBAGLBSA-N 0 3 216.325 0.461 20 0 BCADHN CC[C@@H](CO)N(C)Cc1cn(C)nc1C ZINC000449374678 388186428 /nfs/dbraw/zinc/18/64/28/388186428.db2.gz BSBAYCPVWNOXFJ-NSHDSACASA-N 0 3 211.309 0.931 20 0 BCADHN C[C@H](Oc1ccccn1)C(=O)NCCN(C)C ZINC000449050736 388135792 /nfs/dbraw/zinc/13/57/92/388135792.db2.gz QCYUNZCTEBXLHO-JTQLQIEISA-N 0 3 237.303 0.527 20 0 BCADHN CCCN[C@H](C)C(=O)NCC(=O)NC(C)(C)C ZINC000449068988 388139228 /nfs/dbraw/zinc/13/92/28/388139228.db2.gz DIIVETLTVLOSJF-SECBINFHSA-N 0 3 243.351 0.405 20 0 BCADHN C[C@@H]1C[C@H]1CN1CC[C@@H](S(N)(=O)=O)C1 ZINC000488542337 388186606 /nfs/dbraw/zinc/18/66/06/388186606.db2.gz ZGYAQMVPIAWWTQ-HRDYMLBCSA-N 0 3 218.322 0.005 20 0 BCADHN CC[C@@H](CCO)N[C@@H](C)CS(C)(=O)=O ZINC000162280802 388140741 /nfs/dbraw/zinc/14/07/41/388140741.db2.gz IRXSRZVENUFRMV-IUCAKERBSA-N 0 3 223.338 0.170 20 0 BCADHN C[C@H](C(N)=O)N1CC2(C[C@H]1C)CCOCC2 ZINC000646095935 388141608 /nfs/dbraw/zinc/14/16/08/388141608.db2.gz FEOWIAUTNKJQBK-NXEZZACHSA-N 0 3 226.320 0.751 20 0 BCADHN COCC(C)(C)CNC(=O)NC[C@H](C)N(C)C ZINC000454994163 388144916 /nfs/dbraw/zinc/14/49/16/388144916.db2.gz HBORABVWDNISGH-JTQLQIEISA-N 0 3 245.367 0.908 20 0 BCADHN CCCN[C@H](C)C(=O)N[C@H](C(N)=O)C(C)C ZINC000449122487 388145449 /nfs/dbraw/zinc/14/54/49/388145449.db2.gz LKHJCTFHVKNCFI-BDAKNGLRSA-N 0 3 229.324 0.001 20 0 BCADHN COc1nccc(CNCC[C@H](O)C(C)C)n1 ZINC000449156327 388149880 /nfs/dbraw/zinc/14/98/80/388149880.db2.gz RZSYSBJTEJRSRI-NSHDSACASA-N 0 3 239.319 0.982 20 0 BCADHN CCCN[C@H](C)C(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000449157315 388150537 /nfs/dbraw/zinc/15/05/37/388150537.db2.gz PZYKZSJPRUFUHS-RKDXNWHRSA-N 0 3 243.351 0.391 20 0 BCADHN OCc1ccnc(N2CCN3CCC2CC3)c1 ZINC000641526761 388151004 /nfs/dbraw/zinc/15/10/04/388151004.db2.gz SPKFTUKDEXTOFE-UHFFFAOYSA-N 0 3 233.315 0.858 20 0 BCADHN CCCN[C@@H](C)C(=O)N[C@H](C(=O)NC)C(C)C ZINC000449165985 388151688 /nfs/dbraw/zinc/15/16/88/388151688.db2.gz YQYKPIRENWXQTG-UWVGGRQHSA-N 0 3 243.351 0.261 20 0 BCADHN CNCC(=O)N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000646135902 388152263 /nfs/dbraw/zinc/15/22/63/388152263.db2.gz CMEOJIJRVPLLMO-NKWVEPMBSA-N 0 3 240.225 0.384 20 0 BCADHN O=C(Nc1cnc(C2CC2)nc1)[C@H]1CCN1 ZINC000645927473 388153761 /nfs/dbraw/zinc/15/37/61/388153761.db2.gz NPMRXGKSOOMRJR-SECBINFHSA-N 0 3 218.260 0.654 20 0 BCADHN O=C(NCCN1CCCC1)[C@@H](O)C1CCC1 ZINC000449181497 388154472 /nfs/dbraw/zinc/15/44/72/388154472.db2.gz HTKWYLAIWAUSHZ-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CNCCC1(F)F ZINC000449661772 388249726 /nfs/dbraw/zinc/24/97/26/388249726.db2.gz DHOMPDGDQWLGNW-VIFPVBQESA-N 0 3 249.305 0.440 20 0 BCADHN CCO[C@@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449663119 388250291 /nfs/dbraw/zinc/25/02/91/388250291.db2.gz NRLBZKPBCYZOHB-JGVFFNPUSA-N 0 3 236.262 0.525 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CNCCC1(F)F ZINC000449662890 388250408 /nfs/dbraw/zinc/25/04/08/388250408.db2.gz HJYFRPICNJUEFT-VIFPVBQESA-N 0 3 249.305 0.442 20 0 BCADHN CC(C)n1cc2c(n1)C[C@@H](NC(=O)CN)CC2 ZINC000490738870 388251432 /nfs/dbraw/zinc/25/14/32/388251432.db2.gz GCVSNZFMWUFGQJ-JTQLQIEISA-N 0 3 236.319 0.396 20 0 BCADHN CN(C)C1(CNCc2ncc[nH]2)CCC1 ZINC000165174163 388251978 /nfs/dbraw/zinc/25/19/78/388251978.db2.gz RDRWWJXCFSUCEC-UHFFFAOYSA-N 0 3 208.309 0.984 20 0 BCADHN Cn1nccc1CNCC1=CCCOC1 ZINC000165216916 388252033 /nfs/dbraw/zinc/25/20/33/388252033.db2.gz GYAKZRCNOUNPFZ-UHFFFAOYSA-N 0 3 207.277 0.856 20 0 BCADHN COc1cccc(C[C@H](C)NC(=O)CN)c1 ZINC000490773390 388253236 /nfs/dbraw/zinc/25/32/36/388253236.db2.gz SMJVHQJNKFVSBB-VIFPVBQESA-N 0 3 222.288 0.701 20 0 BCADHN CCC[C@@H](N)C(=O)NC1(CC(=O)OC)CCC1 ZINC000490864879 388257176 /nfs/dbraw/zinc/25/71/76/388257176.db2.gz PFWOTRAZNRPFFQ-SECBINFHSA-N 0 3 242.319 0.716 20 0 BCADHN C[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C1CC1 ZINC000461110356 388258112 /nfs/dbraw/zinc/25/81/12/388258112.db2.gz QSWGZKZBMGCKQU-MIMYLULJSA-N 0 3 241.335 0.101 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)CCC1CC1 ZINC000261528628 135154534 /nfs/dbraw/zinc/15/45/34/135154534.db2.gz MWKJXJAEHBLNLG-VIFPVBQESA-N 0 3 200.282 0.219 20 0 BCADHN CO[C@H]1CN(Cc2ccn(C)c2)C[C@@H]1OC ZINC000488576162 388189291 /nfs/dbraw/zinc/18/92/91/388189291.db2.gz VGGZFLSCJBCAGF-RYUDHWBXSA-N 0 3 224.304 0.871 20 0 BCADHN CC[C@@H]1CCN1C(=O)NCCN(C)CCOC ZINC000488654886 388190881 /nfs/dbraw/zinc/19/08/81/388190881.db2.gz KNFNXUKZPUDTLO-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN Cc1ccc(CNCCOCCO)nc1 ZINC000087782157 256531210 /nfs/dbraw/zinc/53/12/10/256531210.db2.gz YYSYBWLPDHAITH-UHFFFAOYSA-N 0 3 210.277 0.489 20 0 BCADHN CC(C)(C)NC(=O)CN[C@H]1COCC1(C)C ZINC000313037285 256534177 /nfs/dbraw/zinc/53/41/77/256534177.db2.gz LOPCJAHRPXQYRX-VIFPVBQESA-N 0 3 228.336 0.916 20 0 BCADHN C[C@@H]1[C@H](CO)CCN1CCN1CCCC1=O ZINC000488790886 388195666 /nfs/dbraw/zinc/19/56/66/388195666.db2.gz XXOXJWOXEOUGDF-MNOVXSKESA-N 0 3 226.320 0.312 20 0 BCADHN CS[C@H](CO)[C@@H](C)NCc1cnn(C)c1 ZINC000164282364 388202299 /nfs/dbraw/zinc/20/22/99/388202299.db2.gz IWPVOHILMYYQQV-PSASIEDQSA-N 0 3 229.349 0.622 20 0 BCADHN CCN(CC)CC(=O)NCC1(CC)COC1 ZINC000456466089 388202782 /nfs/dbraw/zinc/20/27/82/388202782.db2.gz BSVANQLGAPXRFX-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000489045926 388202852 /nfs/dbraw/zinc/20/28/52/388202852.db2.gz UJKOVZJRJKWHJK-ONGXEEELSA-N 0 3 241.335 0.293 20 0 BCADHN CC(C)N(C)C(=O)CN1CC[C@](O)(C2CC2)C1 ZINC000489212137 388205786 /nfs/dbraw/zinc/20/57/86/388205786.db2.gz FCSQTRFSDIRJIA-CYBMUJFWSA-N 0 3 240.347 0.700 20 0 BCADHN CCN1C[C@@H](C)[C@H](N[C@H]2CCCNC2=O)C1 ZINC000449438824 388206318 /nfs/dbraw/zinc/20/63/18/388206318.db2.gz RESXTEPXQJAKNG-OUAUKWLOSA-N 0 3 225.336 0.195 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)C(=O)OC(C)C)N(C)C ZINC000456611074 388210390 /nfs/dbraw/zinc/21/03/90/388210390.db2.gz HEUCBBYTQPUDRN-UWVGGRQHSA-N 0 3 244.335 0.783 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000489409594 388211730 /nfs/dbraw/zinc/21/17/30/388211730.db2.gz SLYWTSKQCVFSLC-DCAQKATOSA-N 0 3 243.351 0.539 20 0 BCADHN COCCN(C[C@H](O)COC)[C@H]1CCO[C@@H]1C ZINC000489406197 388211900 /nfs/dbraw/zinc/21/19/00/388211900.db2.gz OFMNXKXRMQGATA-WOPDTQHZSA-N 0 3 247.335 0.120 20 0 BCADHN CN(C[C@@H](O)CN1CCCC1=O)[C@@H]1CC1(C)C ZINC000489435026 388214057 /nfs/dbraw/zinc/21/40/57/388214057.db2.gz XCVKZUGFGWDQQC-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@H](O)[C@H](CC)NC(=O)[C@H](CC)N(C)C ZINC000456733652 388218549 /nfs/dbraw/zinc/21/85/49/388218549.db2.gz SMJLJDHISPYPPR-DCAQKATOSA-N 0 3 230.352 0.992 20 0 BCADHN CCN1C[C@@H](NCc2[nH]ncc2C)CC1=O ZINC000449517084 388221838 /nfs/dbraw/zinc/22/18/38/388221838.db2.gz IVPKUUGHEBTXCB-VIFPVBQESA-N 0 3 222.292 0.429 20 0 BCADHN Cc1cnc(CN2C[C@H]3CCN(C)[C@H]3C2)n1C ZINC000449519504 388222608 /nfs/dbraw/zinc/22/26/08/388222608.db2.gz CUWHUKRHDSEHFK-NEPJUHHUSA-N 0 3 234.347 0.864 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000489892324 388227350 /nfs/dbraw/zinc/22/73/50/388227350.db2.gz XEIFTPRVGFGPHB-SSDOTTSWSA-N 0 3 224.264 0.180 20 0 BCADHN CC[C@H](N)C(=O)NCCc1c(C)nn(C)c1C ZINC000489893176 388227693 /nfs/dbraw/zinc/22/76/93/388227693.db2.gz YVVSFJZJFLCDOC-NSHDSACASA-N 0 3 238.335 0.433 20 0 BCADHN CC[C@H](NCc1ccnc(N(C)C)n1)[C@@H](C)O ZINC000449543905 388227774 /nfs/dbraw/zinc/22/77/74/388227774.db2.gz PDZBXYHTBQLESE-KOLCDFICSA-N 0 3 238.335 0.792 20 0 BCADHN CC[C@@H](NCc1cnc(N(C)C)nc1)[C@H](C)O ZINC000449542107 388228593 /nfs/dbraw/zinc/22/85/93/388228593.db2.gz LVMJVFYDECVKPB-GXSJLCMTSA-N 0 3 238.335 0.792 20 0 BCADHN CCC(C)(C)CCN1CCN(CC(N)=O)CC1 ZINC000489970265 388229738 /nfs/dbraw/zinc/22/97/38/388229738.db2.gz HABCKDRPJXRKBK-UHFFFAOYSA-N 0 3 241.379 0.916 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](N)C(C)C)C[C@H](C)O1 ZINC000490008751 388230860 /nfs/dbraw/zinc/23/08/60/388230860.db2.gz QQRISZDLVBHZCS-HBNTYKKESA-N 0 3 228.336 0.996 20 0 BCADHN CC[C@@H]1CN(CC)CCN1Cc1cn(C)nn1 ZINC000449564956 388234160 /nfs/dbraw/zinc/23/41/60/388234160.db2.gz FKUPGIIQLDYUQI-GFCCVEGCSA-N 0 3 237.351 0.731 20 0 BCADHN CC[C@@H]1CN(CC)CCN1Cc1cnnn1C ZINC000449564418 388234211 /nfs/dbraw/zinc/23/42/11/388234211.db2.gz APFXJJTUFYPOSJ-LLVKDONJSA-N 0 3 237.351 0.731 20 0 BCADHN CN1CC[C@H]2CCN(C(=O)[C@H]3CCCO3)[C@@H]2C1 ZINC000490196168 388236533 /nfs/dbraw/zinc/23/65/33/388236533.db2.gz GMIBXUXGDJXOKP-QJPTWQEYSA-N 0 3 238.331 0.718 20 0 BCADHN CCCN(C)CC(=O)N1CCNC[C@](C)(F)C1 ZINC000449578129 388237074 /nfs/dbraw/zinc/23/70/74/388237074.db2.gz ZKOGKFQQHMTWBQ-LBPRGKRZSA-N 0 3 245.342 0.488 20 0 BCADHN C[C@@H]1CN(CCn2ccnc2)CC[C@@H]1O ZINC000164672661 388244000 /nfs/dbraw/zinc/24/40/00/388244000.db2.gz XDELYXDOGPCCFQ-MNOVXSKESA-N 0 3 209.293 0.586 20 0 BCADHN C[C@@H](O)CN1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000459450085 388244299 /nfs/dbraw/zinc/24/42/99/388244299.db2.gz YBROCKCYEDNREJ-WYUUTHIRSA-N 0 3 229.320 0.636 20 0 BCADHN CC[C@H](C)N1CCN(Cc2nnn(C)n2)CC1 ZINC000449626137 388244899 /nfs/dbraw/zinc/24/48/99/388244899.db2.gz CYMWWPDVLIURCJ-JTQLQIEISA-N 0 3 238.339 0.126 20 0 BCADHN C[C@H](O)CN1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000459450080 388244922 /nfs/dbraw/zinc/24/49/22/388244922.db2.gz YBROCKCYEDNREJ-USZNOCQGSA-N 0 3 229.320 0.636 20 0 BCADHN CC[C@H](C)N1CCN(Cc2cn(C)nn2)CC1 ZINC000449627113 388245431 /nfs/dbraw/zinc/24/54/31/388245431.db2.gz YOQMFJPCIMQWTE-NSHDSACASA-N 0 3 237.351 0.731 20 0 BCADHN CC(C)[C@@](C)(NCCOCC1CC1)C(N)=O ZINC000459480108 388245490 /nfs/dbraw/zinc/24/54/90/388245490.db2.gz LNJCCOMOZPIANP-GFCCVEGCSA-N 0 3 228.336 0.903 20 0 BCADHN CN(CC(=O)NCCn1ccnc1)C1CCC1 ZINC000629949221 388245754 /nfs/dbraw/zinc/24/57/54/388245754.db2.gz XYJNSDPSJHIYGW-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@H]1CCNC1=O ZINC000451585704 388283193 /nfs/dbraw/zinc/28/31/93/388283193.db2.gz CZJRGVPQJWWDCN-UTLUCORTSA-N 0 3 240.303 0.196 20 0 BCADHN CCOCCNC(=O)CN[C@@H]1CCC[C@H]1OC ZINC000451625462 388285670 /nfs/dbraw/zinc/28/56/70/388285670.db2.gz VXZZFNVSZTZLFM-GHMZBOCLSA-N 0 3 244.335 0.296 20 0 BCADHN CN(CCNC(=O)/C=C\c1ccnn1C)C1CC1 ZINC000491333942 388285870 /nfs/dbraw/zinc/28/58/70/388285870.db2.gz IGXQZTPXRKOREA-WAYWQWQTSA-N 0 3 248.330 0.644 20 0 BCADHN CCOCCCN1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451651984 388287827 /nfs/dbraw/zinc/28/78/27/388287827.db2.gz ISQVJPZNHNQQEY-BETUJISGSA-N 0 3 244.379 0.800 20 0 BCADHN CCN(C)CCNC(=O)CCCNC(=O)OC ZINC000491355892 388288130 /nfs/dbraw/zinc/28/81/30/388288130.db2.gz WFGXTDJODRKHEK-UHFFFAOYSA-N 0 3 245.323 0.191 20 0 BCADHN CC[C@H]1CN(CC)CCN1CCC(=O)OC ZINC000451723868 388292130 /nfs/dbraw/zinc/29/21/30/388292130.db2.gz BYMWYDZJAHIZKT-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC[C@@](C)(O)CC1 ZINC000492021286 388331876 /nfs/dbraw/zinc/33/18/76/388331876.db2.gz SBLAFUZBRPZPJG-RYWCDNDXSA-N 0 3 240.347 0.868 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)Cc1ncc[nH]1 ZINC000491863268 388325270 /nfs/dbraw/zinc/32/52/70/388325270.db2.gz DATHXQHNZQVHNP-PLNGDYQASA-N 0 3 222.292 0.486 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@@H]1CCCCO1 ZINC000491873504 388325645 /nfs/dbraw/zinc/32/56/45/388325645.db2.gz UQBPDIHAZYXUIX-XOIDGJRKSA-N 0 3 226.320 0.790 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)/C=C\c1ccnn1C ZINC000491872384 388325651 /nfs/dbraw/zinc/32/56/51/388325651.db2.gz RBGGPKYJGUSSMT-FOQNGQEVSA-N 0 3 248.330 0.644 20 0 BCADHN COC(=O)[C@H](NC(=O)/C=C\CN(C)C)C1CC1 ZINC000492057862 388333052 /nfs/dbraw/zinc/33/30/52/388333052.db2.gz NUODBJMKISXCGP-DOGVGXBMSA-N 0 3 240.303 0.172 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)Cc1ccon1 ZINC000491873915 388325899 /nfs/dbraw/zinc/32/58/99/388325899.db2.gz VMZXWBALOKHYHR-SNAWJCMRSA-N 0 3 223.276 0.751 20 0 BCADHN COC(=O)[C@H]1CCN(C(=O)/C=C\CN(C)C)C1 ZINC000491874979 388325969 /nfs/dbraw/zinc/32/59/69/388325969.db2.gz XHJOGOKAHWGUFR-LWTINBJPSA-N 0 3 240.303 0.126 20 0 BCADHN CCC(CC)(NC(=O)/C=C/CN(C)C)C(N)=O ZINC000491881326 388326137 /nfs/dbraw/zinc/32/61/37/388326137.db2.gz GSLJMXKPUSFKPA-BQYQJAHWSA-N 0 3 241.335 0.265 20 0 BCADHN Cc1cc(NC(=O)/C=C/CN(C)C)n(C)n1 ZINC000491902336 388326974 /nfs/dbraw/zinc/32/69/74/388326974.db2.gz BXQBCSMROLADKT-AATRIKPKSA-N 0 3 222.292 0.785 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1ccnc2ccnn21 ZINC000491907119 388327101 /nfs/dbraw/zinc/32/71/01/388327101.db2.gz RFJRHTHMGGJKNV-ONEGZZNKSA-N 0 3 245.286 0.786 20 0 BCADHN COCCN1CC[C@H](NC(=O)/C=C\C2CC2)C1 ZINC000491930228 388328491 /nfs/dbraw/zinc/32/84/91/388328491.db2.gz WCXDRQXZSDELDU-RXNFCKPNSA-N 0 3 238.331 0.790 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)c1cnn(C)c1 ZINC000491942035 388328916 /nfs/dbraw/zinc/32/89/16/388328916.db2.gz UGJWOXQPDYXEPC-AATRIKPKSA-N 0 3 222.292 0.501 20 0 BCADHN CCN(C)C(=O)[C@@H](NCCOCCO)C(C)C ZINC000451314114 388261703 /nfs/dbraw/zinc/26/17/03/388261703.db2.gz NQMVHNBJQGJABW-NSHDSACASA-N 0 3 246.351 0.088 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@@H](C)CN(C)C ZINC000490964633 388262271 /nfs/dbraw/zinc/26/22/71/388262271.db2.gz BRNZZWPTODLDEH-IUCAKERBSA-N 0 3 217.313 0.007 20 0 BCADHN Cn1cc(CN[C@H]2C[C@@H](O)C2(C)C)cn1 ZINC000163350013 388262312 /nfs/dbraw/zinc/26/23/12/388262312.db2.gz VENMILCRKWVAGP-VHSXEESVSA-N 0 3 209.293 0.669 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000645920479 388263794 /nfs/dbraw/zinc/26/37/94/388263794.db2.gz IIDPSZPZAANBML-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000490988648 388264336 /nfs/dbraw/zinc/26/43/36/388264336.db2.gz MUEYICOLASWMEL-DCAQKATOSA-N 0 3 226.320 0.751 20 0 BCADHN COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)CN ZINC000491030398 388265488 /nfs/dbraw/zinc/26/54/88/388265488.db2.gz BUYDXULQLBGNBQ-VHSXEESVSA-N 0 3 242.319 0.573 20 0 BCADHN [NH3+]C1(CC(=O)Nc2ccncc2[O-])CCC1 ZINC000645952758 388267450 /nfs/dbraw/zinc/26/74/50/388267450.db2.gz PUFMXOJTTPHIGP-UHFFFAOYSA-N 0 3 221.260 0.419 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC(CF)CC1 ZINC000451390516 388268467 /nfs/dbraw/zinc/26/84/67/388268467.db2.gz CWDLLHFYHMRIMC-LLVKDONJSA-N 0 3 233.283 0.592 20 0 BCADHN Cn1cc([C@H](NC(=O)CN)C(C)(C)C)cn1 ZINC000491085506 388268960 /nfs/dbraw/zinc/26/89/60/388268960.db2.gz SECMYFHOBWMDED-JTQLQIEISA-N 0 3 224.308 0.582 20 0 BCADHN CN(C)C(=O)C1(NCCO)CCCCC1 ZINC000451408670 388269984 /nfs/dbraw/zinc/26/99/84/388269984.db2.gz ZCRNMGIGCKDQDH-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCC[C@@H](O)[C@H]1C ZINC000451449482 388274670 /nfs/dbraw/zinc/27/46/70/388274670.db2.gz BVZRPDVOPLKSDN-CKYFFXLPSA-N 0 3 245.319 0.146 20 0 BCADHN CCO[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1C ZINC000451523701 388278878 /nfs/dbraw/zinc/27/88/78/388278878.db2.gz JWXSHEXIJAHMFJ-GHMZBOCLSA-N 0 3 228.336 0.822 20 0 BCADHN C[C@@H](NC(=O)/C=C\CN(C)C)c1cn[nH]c1 ZINC000492303846 388340795 /nfs/dbraw/zinc/34/07/95/388340795.db2.gz JYZUNDROWBUFJT-XRVBUDJMSA-N 0 3 222.292 0.705 20 0 BCADHN CCOCCN(C)C(=O)/C=C/CN(C)C ZINC000492339138 388341872 /nfs/dbraw/zinc/34/18/72/388341872.db2.gz BPSWPMXSIXGOEH-VOTSOKGWSA-N 0 3 214.309 0.599 20 0 BCADHN CCCN(CCO)C(=O)/C=C\CN(C)C ZINC000492339117 388341883 /nfs/dbraw/zinc/34/18/83/388341883.db2.gz BPPFYOIIAMOETP-WAYWQWQTSA-N 0 3 214.309 0.335 20 0 BCADHN COC[C@@H](C)NC(=O)/C=C/CN(C)C ZINC000492338038 388341986 /nfs/dbraw/zinc/34/19/86/388341986.db2.gz BMIJRJOJTFZQMH-VUHVRTRXSA-N 0 3 200.282 0.255 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC(=O)CC1 ZINC000492381583 388342959 /nfs/dbraw/zinc/34/29/59/388342959.db2.gz UGBNHVXPSYETHE-ARJAWSKDSA-N 0 3 210.277 0.296 20 0 BCADHN CCC[C@@H](NC(=O)/C=C/CN(C)C)C(=O)OC ZINC000492381292 388343021 /nfs/dbraw/zinc/34/30/21/388343021.db2.gz BUAUTMARRMOUFY-QEHWCHDUSA-N 0 3 242.319 0.562 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N1CC[C@@H](OC)C1 ZINC000233967727 388351453 /nfs/dbraw/zinc/35/14/53/388351453.db2.gz HSBRYILGLUJYAH-OPRDCNLKSA-N 0 3 214.309 0.607 20 0 BCADHN CCO[C@H]1C[C@](N)(C(=O)NC)C1(C)C ZINC000162516447 388353458 /nfs/dbraw/zinc/35/34/58/388353458.db2.gz DIICLAHGGONEFY-XVKPBYJWSA-N 0 3 200.282 0.265 20 0 BCADHN C[NH2+][C@H](C)CNC(=O)c1cccc(OC)c1[O-] ZINC000234435869 388355374 /nfs/dbraw/zinc/35/53/74/388355374.db2.gz KGMGEECCOBBOSJ-MRVPVSSYSA-N 0 3 238.287 0.739 20 0 BCADHN CN1C[C@@H](NC[C@H](O)CC(F)(F)F)CC1=O ZINC000307948860 388357203 /nfs/dbraw/zinc/35/72/03/388357203.db2.gz MJKLBHMCTRPWJA-NKWVEPMBSA-N 0 3 240.225 0.120 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCc1ccccc1CO ZINC000646426379 388357575 /nfs/dbraw/zinc/35/75/75/388357575.db2.gz DWXHEKLGNOUCOJ-LBPRGKRZSA-N 0 3 248.326 0.793 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)C1 ZINC000234746308 388359619 /nfs/dbraw/zinc/35/96/19/388359619.db2.gz XJRWNEHDBPOMFF-AEJSXWLSSA-N 0 3 214.309 0.653 20 0 BCADHN CN(C)CCSCC(C)(CO)CO ZINC000308400423 388360587 /nfs/dbraw/zinc/36/05/87/388360587.db2.gz HXOLFMLPNFFGIY-UHFFFAOYSA-N 0 3 207.339 0.272 20 0 BCADHN COC[C@H](CO)N[C@@H](C)c1ccncc1 ZINC000234828087 388360691 /nfs/dbraw/zinc/36/06/91/388360691.db2.gz VDUQAZQNIVSRKM-ONGXEEELSA-N 0 3 210.277 0.740 20 0 BCADHN CO[C@H]1CC[C@@H](NC(=O)[C@@H](N)C(C)C)C1 ZINC000234827986 388360828 /nfs/dbraw/zinc/36/08/28/388360828.db2.gz XJRWNEHDBPOMFF-UTLUCORTSA-N 0 3 214.309 0.653 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@H]2C[C@@H](C)CCN2)C1 ZINC000234805785 388361126 /nfs/dbraw/zinc/36/11/26/388361126.db2.gz IIBWRBVGXUQREY-GARJFASQSA-N 0 3 226.320 0.622 20 0 BCADHN O=C(Nc1cccc2cnncc21)[C@H]1CCN1 ZINC000646452028 388361085 /nfs/dbraw/zinc/36/10/85/388361085.db2.gz QVNWDIKLFXFLIZ-LLVKDONJSA-N 0 3 228.255 0.930 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cnn(CC2CC2)c1 ZINC000646490494 388367391 /nfs/dbraw/zinc/36/73/91/388367391.db2.gz MXPULTJFUUVDMC-SNVBAGLBSA-N 0 3 222.292 0.969 20 0 BCADHN CCN(CC)CC(=O)N1CCOC(F)(F)C1 ZINC000646496116 388367966 /nfs/dbraw/zinc/36/79/66/388367966.db2.gz UMWPSAAKZHTPOK-UHFFFAOYSA-N 0 3 236.262 0.780 20 0 BCADHN C[C@@H](O)CNCc1c[nH]c2nccnc12 ZINC000290821841 388370607 /nfs/dbraw/zinc/37/06/07/388370607.db2.gz HCTAQSLVDGHJRQ-SSDOTTSWSA-N 0 3 206.249 0.428 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@]1(C)CCOC1 ZINC000261534382 135166847 /nfs/dbraw/zinc/16/68/47/135166847.db2.gz MDWVBUZOUCHVAB-WCBMZHEXSA-N 0 3 200.282 0.267 20 0 BCADHN CO[C@@H]1CN(CCCC(=O)N(C)C)C[C@@H]1OC ZINC000572732083 388371769 /nfs/dbraw/zinc/37/17/69/388371769.db2.gz QWSMJYZLVLHCRP-PHIMTYICSA-N 0 3 244.335 0.200 20 0 BCADHN CC(C)NC(=O)NCCN1C[C@H](O)C[C@H]1C ZINC000572757586 388372977 /nfs/dbraw/zinc/37/29/77/388372977.db2.gz RDXCSZHBONYKGD-NXEZZACHSA-N 0 3 229.324 0.149 20 0 BCADHN Cc1cnc(CNC(=O)C2(N)CCC2)s1 ZINC000235933141 388375759 /nfs/dbraw/zinc/37/57/59/388375759.db2.gz YGXKSRXFKUPFGP-UHFFFAOYSA-N 0 3 225.317 0.949 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2ccon2)C1 ZINC000524720139 388376516 /nfs/dbraw/zinc/37/65/16/388376516.db2.gz ZBKIROCPQMRKQD-VIFPVBQESA-N 0 3 223.276 0.746 20 0 BCADHN CC(C)N(C)CC(=O)NCCN1CC[C@@H](C)C1 ZINC000524720920 388377180 /nfs/dbraw/zinc/37/71/80/388377180.db2.gz MTWXWQAXAWNALT-GFCCVEGCSA-N 0 3 241.379 0.785 20 0 BCADHN CC[C@H](O)CNCc1cnc(N(C)C)nc1 ZINC000291725527 388377528 /nfs/dbraw/zinc/37/75/28/388377528.db2.gz NFERVCIFDJPRJU-JTQLQIEISA-N 0 3 224.308 0.403 20 0 BCADHN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)CN ZINC000236610964 388381268 /nfs/dbraw/zinc/38/12/68/388381268.db2.gz IFRFIBMHQVGIRP-MWLCHTKSSA-N 0 3 214.309 0.513 20 0 BCADHN CCC[C@H](N)C(=O)N1CCCC[C@@H]1CC(N)=O ZINC000236800583 388383937 /nfs/dbraw/zinc/38/39/37/388383937.db2.gz HFGNZWVDVAQKKH-ZJUUUORDSA-N 0 3 241.335 0.370 20 0 BCADHN CCO[C@@H]1C[C@@H](NC(=O)CN)C12CCC2 ZINC000236849649 388384945 /nfs/dbraw/zinc/38/49/45/388384945.db2.gz WVBRENYMBWGDFX-RKDXNWHRSA-N 0 3 212.293 0.409 20 0 BCADHN CC[C@H](C(=O)N1C[C@H]2[C@H](CO)[C@H]2C1)N(C)C ZINC000646663663 388406135 /nfs/dbraw/zinc/40/61/35/388406135.db2.gz JQNLHXKZIYFNMM-VPOLOUISSA-N 0 3 226.320 0.023 20 0 BCADHN CC[C@H](NC(=O)CN)c1nc(C)cs1 ZINC000237000254 388387123 /nfs/dbraw/zinc/38/71/23/388387123.db2.gz NINGGGRDJVARMN-ZETCQYMHSA-N 0 3 213.306 0.978 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCC(=O)NCC1CC1 ZINC000236962522 388387240 /nfs/dbraw/zinc/38/72/40/388387240.db2.gz JNIYPVBBSNFXTP-LDYMZIIASA-N 0 3 241.335 0.002 20 0 BCADHN CC[C@H](NC(=O)CNC)c1c(C)nn(C)c1C ZINC000237001888 388387871 /nfs/dbraw/zinc/38/78/71/388387871.db2.gz JOHCISFTCUORRQ-JTQLQIEISA-N 0 3 238.335 0.824 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H](C)CC(=O)OC ZINC000236992638 388387967 /nfs/dbraw/zinc/38/79/67/388387967.db2.gz OWTLFBYMZYXTCY-HTQZYQBOSA-N 0 3 216.281 0.182 20 0 BCADHN CC[C@H]1CN(C(=O)CNC)C[C@@H](C)O1 ZINC000237039158 388388391 /nfs/dbraw/zinc/38/83/91/388388391.db2.gz MKLHWDBTPWLTLY-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@@H](N)C(C)C ZINC000237004742 388388719 /nfs/dbraw/zinc/38/87/19/388388719.db2.gz CUVHWXBVPGZJLP-AEJSXWLSSA-N 0 3 216.325 0.493 20 0 BCADHN CCC[C@H]1CN(C(=O)[C@@H](N)CC)CCO1 ZINC000237044143 388388915 /nfs/dbraw/zinc/38/89/15/388388915.db2.gz BFUGSWJMENAWFU-UWVGGRQHSA-N 0 3 214.309 0.751 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CO)C[C@H](C)S1 ZINC000133729223 388389036 /nfs/dbraw/zinc/38/90/36/388389036.db2.gz JOIPGQLARLQUJX-YIZRAAEISA-N 0 3 205.323 0.165 20 0 BCADHN COCC[C@H](C)NC(=O)CNC[C@H]1CCCO1 ZINC000237113455 388389811 /nfs/dbraw/zinc/38/98/11/388389811.db2.gz ZYUDCUVCUCSHDI-WDEREUQCSA-N 0 3 244.335 0.296 20 0 BCADHN COCCNCC(=O)N1CCC2(CCC2)C1 ZINC000237157704 388390787 /nfs/dbraw/zinc/39/07/87/388390787.db2.gz SZNNXFZRQGFZJF-UHFFFAOYSA-N 0 3 226.320 0.625 20 0 BCADHN CN(CC1CC1)C(=O)CNC[C@@H]1CCCO1 ZINC000237184631 388391236 /nfs/dbraw/zinc/39/12/36/388391236.db2.gz REEOXKFQDDSEGW-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN O=C(CN1C[C@@H]2CCC[C@@H]2C1)N1CCNC1=O ZINC000153233752 388393301 /nfs/dbraw/zinc/39/33/01/388393301.db2.gz JVBPUPYBVAFCCJ-AOOOYVTPSA-N 0 3 237.303 0.270 20 0 BCADHN C[C@@H](CNC(=O)CN)N(C)c1ccccc1 ZINC000237543157 388395737 /nfs/dbraw/zinc/39/57/37/388395737.db2.gz HMWKVVGMLLPAIZ-JTQLQIEISA-N 0 3 221.304 0.586 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000237474059 388396144 /nfs/dbraw/zinc/39/61/44/388396144.db2.gz IBQVBHJCRMRAIH-BGZDPUMWSA-N 0 3 212.293 0.263 20 0 BCADHN CCn1cncc1CN[C@@H](CO)CCOC ZINC000300806893 388396395 /nfs/dbraw/zinc/39/63/95/388396395.db2.gz FHZALYZVBYYFHL-SNVBAGLBSA-N 0 3 227.308 0.390 20 0 BCADHN C[C@H](O)CN[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000572952719 388397554 /nfs/dbraw/zinc/39/75/54/388397554.db2.gz FYIYFVJJXYZUHE-WDEREUQCSA-N 0 3 234.299 0.762 20 0 BCADHN CC(=O)c1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1[O-] ZINC000646634903 388399151 /nfs/dbraw/zinc/39/91/51/388399151.db2.gz NBZNGVWBGYJJPE-JTQLQIEISA-N 0 3 248.282 0.687 20 0 BCADHN O=C(c1ccnc(C2CC2)n1)N1CCCNCC1 ZINC000237875594 388399206 /nfs/dbraw/zinc/39/92/06/388399206.db2.gz YKCQGQWPHKOZIC-UHFFFAOYSA-N 0 3 246.314 0.790 20 0 BCADHN CC1(C)[C@H](NC(=O)C2(N)CCC2)[C@@H]2CCO[C@H]21 ZINC000572957999 388399508 /nfs/dbraw/zinc/39/95/08/388399508.db2.gz ARXZQHBFBJWATK-IVZWLZJFSA-N 0 3 238.331 0.798 20 0 BCADHN C[C@@H]1CC[C@@H](C)N(CC(=O)N2CCOCC2)C1 ZINC000174472163 388399993 /nfs/dbraw/zinc/39/99/93/388399993.db2.gz HALJJJJIPAGVGG-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC(CCOC)CC1 ZINC000528575698 388402802 /nfs/dbraw/zinc/40/28/02/388402802.db2.gz YKPBWCWEOXPCQJ-NSHDSACASA-N 0 3 228.336 0.999 20 0 BCADHN CC[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C(N)=O ZINC000528750605 388402885 /nfs/dbraw/zinc/40/28/85/388402885.db2.gz BBXKNUCUUPUEOZ-ZJDVBMNYSA-N 0 3 214.309 0.652 20 0 BCADHN CC[C@H](O)CCCNC(=O)/C=C/CN(C)C ZINC000492091658 388334471 /nfs/dbraw/zinc/33/44/71/388334471.db2.gz ZQQCHEKQFQLJQV-IOCXFXADSA-N 0 3 228.336 0.772 20 0 BCADHN CC[C@H](O)CCCNC(=O)/C=C\CN(C)C ZINC000492091659 388334486 /nfs/dbraw/zinc/33/44/86/388334486.db2.gz ZQQCHEKQFQLJQV-JYKYSHPRSA-N 0 3 228.336 0.772 20 0 BCADHN CCOC(=O)[C@@H](C)CNC(=O)/C=C\CN(C)C ZINC000492102907 388335065 /nfs/dbraw/zinc/33/50/65/388335065.db2.gz JVARPAVDNZXUSL-GFVADAIESA-N 0 3 242.319 0.420 20 0 BCADHN CN(C)CCN(C)C(=O)/C=C\c1ccnn1C ZINC000492112928 388335418 /nfs/dbraw/zinc/33/54/18/388335418.db2.gz VGTMQRXXAYNGGJ-WAYWQWQTSA-N 0 3 236.319 0.453 20 0 BCADHN CN(C)C/C=C/C(=O)NCCc1cscn1 ZINC000492140319 388336391 /nfs/dbraw/zinc/33/63/91/388336391.db2.gz XAFCJMDOISGPIF-ONEGZZNKSA-N 0 3 239.344 0.920 20 0 BCADHN COCC1(NC(=O)/C=C/CN(C)C)CC1 ZINC000492152666 388336520 /nfs/dbraw/zinc/33/65/20/388336520.db2.gz DIRQESSDYGNBBK-SNAWJCMRSA-N 0 3 212.293 0.399 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)/C=C\C1CC1 ZINC000492209061 388338118 /nfs/dbraw/zinc/33/81/18/388338118.db2.gz RCFVZTZKKFIBNY-DGMVEKRQSA-N 0 3 226.320 0.381 20 0 BCADHN CC(C)[C@H](O)CNC(=O)/C=C\CN(C)C ZINC000492203794 388338166 /nfs/dbraw/zinc/33/81/66/388338166.db2.gz VDCYKMLLRSLFAX-WWQCOOJYSA-N 0 3 214.309 0.237 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1C(=O)/C=C\CN(C)C ZINC000492207976 388338301 /nfs/dbraw/zinc/33/83/01/388338301.db2.gz LREBPOOCPJXNFZ-ZADDAZQUSA-N 0 3 240.347 0.866 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1cnc(N(C)C)nc1 ZINC000492205861 388338361 /nfs/dbraw/zinc/33/83/61/388338361.db2.gz CXMOCVWFXBZWBD-AATRIKPKSA-N 0 3 249.318 0.599 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C/CN(C)C)[C@@H](C)CN1C ZINC000492284498 388340145 /nfs/dbraw/zinc/34/01/45/388340145.db2.gz RAHSVDGSTJLTLQ-JIVBQCDMSA-N 0 3 239.363 0.655 20 0 BCADHN CO[C@H]1C[C@@H](CO)N(CCc2cnn(C)c2)C1 ZINC000330525078 388443350 /nfs/dbraw/zinc/44/33/50/388443350.db2.gz CCFZPRJMNYXLLH-RYUDHWBXSA-N 0 3 239.319 0.044 20 0 BCADHN COCCCNC(=O)CNC(C)(C)CN(C)C ZINC000308636212 388445969 /nfs/dbraw/zinc/44/59/69/388445969.db2.gz LNOFLDJCKZAKGV-UHFFFAOYSA-N 0 3 245.367 0.069 20 0 BCADHN CNC(=O)[C@H](N[C@H]1CCOC1)C(C)C ZINC000134829972 388480593 /nfs/dbraw/zinc/48/05/93/388480593.db2.gz LEFMDPBEPBIKTK-DTWKUNHWSA-N 0 3 200.282 0.136 20 0 BCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)[C@H](C)[NH3+] ZINC000335210021 388448954 /nfs/dbraw/zinc/44/89/54/388448954.db2.gz YKYHHLZPPRLXPO-NKWVEPMBSA-N 0 3 234.346 0.762 20 0 BCADHN C[C@@H](O)CN1CCC(F)(F)[C@H](CO)C1 ZINC000339207059 388480765 /nfs/dbraw/zinc/48/07/65/388480765.db2.gz BBLRTOAHTBELDN-SFYZADRCSA-N 0 3 209.236 0.317 20 0 BCADHN Cc1cc(CN)cc(NC(=O)c2cn(C)nn2)c1 ZINC000322914490 388449845 /nfs/dbraw/zinc/44/98/45/388449845.db2.gz KGVYFNQVKVCXHF-UHFFFAOYSA-N 0 3 245.286 0.835 20 0 BCADHN CN1CC[NH2+]C[C@H]1CNC(=O)c1ccccc1[O-] ZINC000394065614 388449935 /nfs/dbraw/zinc/44/99/35/388449935.db2.gz AXPHCWICUHNKMR-JTQLQIEISA-N 0 3 249.314 0.026 20 0 BCADHN Cc1cnn(CCN2C[C@@H](O)C(C)(C)C2)c1 ZINC000335935024 388455459 /nfs/dbraw/zinc/45/54/59/388455459.db2.gz ZGSVSGFNKSNACB-LLVKDONJSA-N 0 3 223.320 0.894 20 0 BCADHN CCN(CC)CC(=O)N1CCN(C)CC1 ZINC000070925295 388461267 /nfs/dbraw/zinc/46/12/67/388461267.db2.gz QFVRZNAQLWMMFM-UHFFFAOYSA-N 0 3 213.325 0.102 20 0 BCADHN C[C@@H](O)C(=O)N1CCCC[C@H]1CN(C)C ZINC000527291449 388463248 /nfs/dbraw/zinc/46/32/48/388463248.db2.gz GDPLSTIRPJBFTJ-ZJUUUORDSA-N 0 3 214.309 0.310 20 0 BCADHN CS[C@@H](C)CNC(=O)[C@H](N)CC(F)F ZINC000336702232 388465298 /nfs/dbraw/zinc/46/52/98/388465298.db2.gz YUFQGODTFXTCSJ-NTSWFWBYSA-N 0 3 226.292 0.837 20 0 BCADHN CCCC[C@H](N)C(=O)NCc1ccc(=O)[nH]c1 ZINC000083364869 256751777 /nfs/dbraw/zinc/75/17/77/256751777.db2.gz PKNGSCOYCKNKTK-JTQLQIEISA-N 0 3 237.303 0.509 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)C1(CF)CCC1 ZINC000515654338 256752910 /nfs/dbraw/zinc/75/29/10/256752910.db2.gz NYNMKBFEIZKFCL-LLVKDONJSA-N 0 3 246.326 0.555 20 0 BCADHN COC1(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000648856980 388471734 /nfs/dbraw/zinc/47/17/34/388471734.db2.gz HUQNAEKNSIVSKO-JTQLQIEISA-N 0 3 238.331 0.932 20 0 BCADHN CCOC[C@@H](O)CN1CCOC[C@H](C)C1 ZINC000338255420 388474648 /nfs/dbraw/zinc/47/46/48/388474648.db2.gz ULGUKMSYIZBRSM-MNOVXSKESA-N 0 3 217.309 0.352 20 0 BCADHN C[C@@H]1[C@H](C(=O)Nc2cnns2)CCN1C ZINC000648871473 388476584 /nfs/dbraw/zinc/47/65/84/388476584.db2.gz PSZVVEHPJZDYPM-RNFRBKRXSA-N 0 3 226.305 0.817 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)[C@@H]1CCOC1 ZINC000134687853 388478614 /nfs/dbraw/zinc/47/86/14/388478614.db2.gz PXAOOSBNTGNVIH-RKDXNWHRSA-N 0 3 200.282 0.217 20 0 BCADHN COC(C)(C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000524774455 388409590 /nfs/dbraw/zinc/40/95/90/388409590.db2.gz JCSVODBTGNZGGK-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CN(C(=O)[C@@H]1CCOC1)C1CCN(C)CC1 ZINC000068467876 388409864 /nfs/dbraw/zinc/40/98/64/388409864.db2.gz OIWXFAHBEBTYTH-SNVBAGLBSA-N 0 3 226.320 0.576 20 0 BCADHN Cc1cnccc1CN[C@H]1CC(=O)N(C)C1 ZINC000295179184 388410261 /nfs/dbraw/zinc/41/02/61/388410261.db2.gz MMQKSCFHMTYNHV-NSHDSACASA-N 0 3 219.288 0.710 20 0 BCADHN CN(Cc1ccccn1)C[C@H](O)CN(C)C1CC1 ZINC000295230331 388410306 /nfs/dbraw/zinc/41/03/06/388410306.db2.gz WTIRITMIRVFLBC-AWEZNQCLSA-N 0 3 249.358 0.969 20 0 BCADHN Cc1cnccc1CN[C@@H]1CC(=O)N(C)C1 ZINC000295179182 388410731 /nfs/dbraw/zinc/41/07/31/388410731.db2.gz MMQKSCFHMTYNHV-LLVKDONJSA-N 0 3 219.288 0.710 20 0 BCADHN COC1(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000648818997 388411828 /nfs/dbraw/zinc/41/18/28/388411828.db2.gz SNKPOSPJMQAJRY-VHSXEESVSA-N 0 3 238.331 0.907 20 0 BCADHN CC[C@H](O)CCNCc1ccnc(OC)n1 ZINC000295639866 388412175 /nfs/dbraw/zinc/41/21/75/388412175.db2.gz ICHRGAQQZALYMQ-JTQLQIEISA-N 0 3 225.292 0.736 20 0 BCADHN CCCN(C)CC(=O)N(CC)CC(=O)OCC ZINC000524967595 388413982 /nfs/dbraw/zinc/41/39/82/388413982.db2.gz IXBCAZLHXBUOAL-UHFFFAOYSA-N 0 3 244.335 0.740 20 0 BCADHN Cc1cnn(C)c1CNC[C@H](O)C1CCC1 ZINC000316496747 388415129 /nfs/dbraw/zinc/41/51/29/388415129.db2.gz WIRFUEIHPNTFDC-LBPRGKRZSA-N 0 3 223.320 0.979 20 0 BCADHN CC[C@@H](CCO)CNCc1ccnc(OC)n1 ZINC000295892177 388415279 /nfs/dbraw/zinc/41/52/79/388415279.db2.gz YMYBINJOAXQRCY-JTQLQIEISA-N 0 3 239.319 0.983 20 0 BCADHN CC[C@H]1CN(Cc2cccnc2N)C[C@H]1O ZINC000295894650 388415531 /nfs/dbraw/zinc/41/55/31/388415531.db2.gz BYTJYDHADDBMPH-GXSJLCMTSA-N 0 3 221.304 0.867 20 0 BCADHN OC[C@@H]1CN(C[C@H](O)CC2CCCC2)C[C@H]1O ZINC000316511706 388415677 /nfs/dbraw/zinc/41/56/77/388415677.db2.gz NIYGTKUWOVQEIZ-YNEHKIRRSA-N 0 3 243.347 0.213 20 0 BCADHN CC(C)c1nc(CN[C@@H](C)[C@H](C)O)n[nH]1 ZINC000573084170 388418196 /nfs/dbraw/zinc/41/81/96/388418196.db2.gz UWHRNEFTKRFFOT-YUMQZZPRSA-N 0 3 212.297 0.787 20 0 BCADHN C[C@H]1CCN(CC(=O)NCCCCC(N)=O)C1 ZINC000573107170 388419629 /nfs/dbraw/zinc/41/96/29/388419629.db2.gz QWDDBZQVAYBJDU-JTQLQIEISA-N 0 3 241.335 0.100 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-][C@@H](C)C[NH3+])o1 ZINC000261538955 135176785 /nfs/dbraw/zinc/17/67/85/135176785.db2.gz ZZPXDKYOEQKZKA-LURJTMIESA-N 0 3 218.278 0.214 20 0 BCADHN CCOCCn1cc([C@H](N)C(C)C)nn1 ZINC000300881022 388422207 /nfs/dbraw/zinc/42/22/07/388422207.db2.gz IXGBBKURCKCXFA-SNVBAGLBSA-N 0 3 212.297 0.970 20 0 BCADHN COCCCC(=O)NCCN1CC[C@H](C)C1 ZINC000525293355 388425045 /nfs/dbraw/zinc/42/50/45/388425045.db2.gz QODSTVAYUDGMMV-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)C2CCOCC2)C1 ZINC000525292417 388425107 /nfs/dbraw/zinc/42/51/07/388425107.db2.gz PEXTYXCWFXOICK-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN COC[C@H](C)CNCc1ccnc(OC)n1 ZINC000296595457 388425677 /nfs/dbraw/zinc/42/56/77/388425677.db2.gz YANCLZUIYHVUHP-SECBINFHSA-N 0 3 225.292 0.857 20 0 BCADHN CC(C)N(C)CC(=O)N1CCO[C@H](C)[C@@H]1C ZINC000166302570 388425775 /nfs/dbraw/zinc/42/57/75/388425775.db2.gz HAVPINBVTHMABH-WDEREUQCSA-N 0 3 228.336 0.962 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000513448076 388428783 /nfs/dbraw/zinc/42/87/83/388428783.db2.gz QVKXPUGEOZKGFN-GARJFASQSA-N 0 3 228.336 0.602 20 0 BCADHN C[C@@H]1CCCCN1CCNC(=O)C(C)(C)CO ZINC000573180029 388428974 /nfs/dbraw/zinc/42/89/74/388428974.db2.gz YPBBTSBKYXLKGN-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1noc(CN2CCO[C@@H](CN(C)C)C2)n1 ZINC000070015948 388431934 /nfs/dbraw/zinc/43/19/34/388431934.db2.gz DEEOAQCXZJVGIK-JTQLQIEISA-N 0 3 240.307 0.140 20 0 BCADHN CNC(=O)CN[C@H]1C[C@@H](OC)C12CCC2 ZINC000308343718 388436619 /nfs/dbraw/zinc/43/66/19/388436619.db2.gz LHRIGLRSFIEBJZ-DTWKUNHWSA-N 0 3 212.293 0.280 20 0 BCADHN OCC(CO)NCCOCC1CCCC1 ZINC000573264111 388436883 /nfs/dbraw/zinc/43/68/83/388436883.db2.gz UEALAVFAUVJKKQ-UHFFFAOYSA-N 0 3 217.309 0.136 20 0 BCADHN CO[C@@H]1C[C@H](N[C@H]2CCN(C)C2=O)C12CCC2 ZINC000308395953 388437770 /nfs/dbraw/zinc/43/77/70/388437770.db2.gz PHAKHYFMQPLBTO-GARJFASQSA-N 0 3 238.331 0.764 20 0 BCADHN CCO[C@H]1C[C@@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000573278016 388438508 /nfs/dbraw/zinc/43/85/08/388438508.db2.gz RYKWFCSPJZSJPH-GUBZILKMSA-N 0 3 229.324 0.413 20 0 BCADHN COC[C@@H]1CCN1C[C@H](O)CC1(O)CCC1 ZINC000528510660 388537827 /nfs/dbraw/zinc/53/78/27/388537827.db2.gz DNZDMRXARJCVAS-WDEREUQCSA-N 0 3 229.320 0.373 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1C[C@H](O)CC1(O)CCC1 ZINC000528517109 388539495 /nfs/dbraw/zinc/53/94/95/388539495.db2.gz HEOFVDCRZPLWQM-IJLUTSLNSA-N 0 3 243.347 0.498 20 0 BCADHN CC(C)[C@](C)(CO)NCC(=O)N1CCCCC1 ZINC000352890361 388540037 /nfs/dbraw/zinc/54/00/37/388540037.db2.gz CSQWQEVXJRPCLA-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1c[nH]cc(C(=O)N(C)[C@@H](C)CN)c1=O ZINC000516465112 256777596 /nfs/dbraw/zinc/77/75/96/256777596.db2.gz ORIMEGWPCUJCCD-QMMMGPOBSA-N 0 3 223.276 0.103 20 0 BCADHN CN(C(=O)[C@@H](CN)c1ccccc1)C1CC(O)C1 ZINC000517234755 388543083 /nfs/dbraw/zinc/54/30/83/388543083.db2.gz OYJZOQVDODKPSS-BPCQOVAHSA-N 0 3 248.326 0.711 20 0 BCADHN CN(C(=O)[C@H](CN)c1ccccc1)C1CC(O)C1 ZINC000517234756 388543124 /nfs/dbraw/zinc/54/31/24/388543124.db2.gz OYJZOQVDODKPSS-WXRRBKDZSA-N 0 3 248.326 0.711 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1C[C@H](O)CC1(O)CCC1 ZINC000528526011 388544186 /nfs/dbraw/zinc/54/41/86/388544186.db2.gz HXCJKGCFUXFHAU-GRYCIOLGSA-N 0 3 243.347 0.498 20 0 BCADHN C[C@H](O)CCCN1CCSC[C@@H]1CO ZINC000354728707 388545170 /nfs/dbraw/zinc/54/51/70/388545170.db2.gz IHLLXXKVIMPFRC-UWVGGRQHSA-N 0 3 219.350 0.557 20 0 BCADHN CC1(C)CC(CN[C@]2(C(N)=O)CCOC2)C1 ZINC000528538255 388545318 /nfs/dbraw/zinc/54/53/18/388545318.db2.gz KWFPWMGPFCSMMA-GFCCVEGCSA-N 0 3 226.320 0.657 20 0 BCADHN CC(C)(C)OC(=O)NCCN1CC[C@@](C)(O)C1 ZINC000177516053 388484924 /nfs/dbraw/zinc/48/49/24/388484924.db2.gz XOVQUPIFMSXKQR-GFCCVEGCSA-N 0 3 244.335 0.968 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@@H](O)CC1 ZINC000339778571 388486620 /nfs/dbraw/zinc/48/66/20/388486620.db2.gz DQIMVCMERSRVHQ-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN CC[C@H]1CN(CCN2CCOCC2)C[C@H]1O ZINC000341017960 388494005 /nfs/dbraw/zinc/49/40/05/388494005.db2.gz PBSYWTYCAIZINX-NWDGAFQWSA-N 0 3 228.336 0.021 20 0 BCADHN CCCCNC(=O)[C@H](C)N1C[C@H](O)[C@H](CC)C1 ZINC000341021073 388494283 /nfs/dbraw/zinc/49/42/83/388494283.db2.gz ABMHUQUMIVVKOG-TUAOUCFPSA-N 0 3 242.363 0.994 20 0 BCADHN CO[C@@H](CNCC(=O)NC1CC1)C1CC1 ZINC000378750980 388494995 /nfs/dbraw/zinc/49/49/95/388494995.db2.gz OPIXWXMEHYSMNI-JTQLQIEISA-N 0 3 212.293 0.280 20 0 BCADHN CO[C@H]1COC[C@@H]1NCCc1csc(C)n1 ZINC000290224075 388495059 /nfs/dbraw/zinc/49/50/59/388495059.db2.gz WYDLAYPOVCOGHN-QWRGUYRKSA-N 0 3 242.344 0.997 20 0 BCADHN CCC[C@H]1CNCCN1c1nccn2nnnc12 ZINC000516635786 388497616 /nfs/dbraw/zinc/49/76/16/388497616.db2.gz LSMCQFWHWHWPRD-VIFPVBQESA-N 0 3 247.306 0.098 20 0 BCADHN CN(CC(=O)NCC1CCC1)C[C@H]1CCOC1 ZINC000178370111 388499701 /nfs/dbraw/zinc/49/97/01/388499701.db2.gz JHMOWZARVKIQEV-GFCCVEGCSA-N 0 3 240.347 0.871 20 0 BCADHN COCCCNC(=O)CN[C@@H]1CSC[C@H]1C ZINC000397801290 388499928 /nfs/dbraw/zinc/49/99/28/388499928.db2.gz CMCWYKZYOGUHBQ-NXEZZACHSA-N 0 3 246.376 0.480 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC(C)=C(C)C1 ZINC000343939322 388503661 /nfs/dbraw/zinc/50/36/61/388503661.db2.gz MMXIVJZUOQVUPX-LBPRGKRZSA-N 0 3 227.304 0.953 20 0 BCADHN COC(=O)[C@](C)(O)CN(C)[C@@H]1CCCOC1 ZINC000343930805 388503911 /nfs/dbraw/zinc/50/39/11/388503911.db2.gz DZRSESHTNMCITM-MWLCHTKSSA-N 0 3 231.292 0.021 20 0 BCADHN COC(=O)[C@@](C)(O)CN(C)[C@@H]1CCCOC1 ZINC000343930804 388504122 /nfs/dbraw/zinc/50/41/22/388504122.db2.gz DZRSESHTNMCITM-KOLCDFICSA-N 0 3 231.292 0.021 20 0 BCADHN Cc1cnn(C)c1CNCC1(N(C)C)CC1 ZINC000397887754 388508823 /nfs/dbraw/zinc/50/88/23/388508823.db2.gz NMBHJNJHISSWIW-UHFFFAOYSA-N 0 3 222.336 0.912 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H](C)c1ccccn1 ZINC000135808231 388509659 /nfs/dbraw/zinc/50/96/59/388509659.db2.gz JDOQFPMJZRUTFS-IUCAKERBSA-N 0 3 207.277 0.996 20 0 BCADHN CO[C@@H](CNCC(C)(C)S(C)(=O)=O)C1CC1 ZINC000378810496 388510019 /nfs/dbraw/zinc/51/00/19/388510019.db2.gz ZYGPGOAOGWDESC-JTQLQIEISA-N 0 3 249.376 0.824 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN1[C@H](C)C[C@@H]1C ZINC000548096619 388510525 /nfs/dbraw/zinc/51/05/25/388510525.db2.gz AZMYWSWMIACRFJ-USZNOCQGSA-N 0 3 231.336 0.882 20 0 BCADHN CC[C@@H](C)NC(=O)CN(CC)CC(C)(C)O ZINC000078748484 388512311 /nfs/dbraw/zinc/51/23/11/388512311.db2.gz ZAWPLLPIDAYWCW-SNVBAGLBSA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@@]1(C)CCCN([C@@H]2CC(=O)NC2=O)C1 ZINC000516977956 256810543 /nfs/dbraw/zinc/81/05/43/256810543.db2.gz LXQYMELVQJZHNH-SKDRFNHKSA-N 0 3 224.304 0.914 20 0 BCADHN O[C@@H]1CN(CCOC[C@H]2CCCO2)CC12CC2 ZINC000548626393 388549648 /nfs/dbraw/zinc/54/96/48/388549648.db2.gz NXZSJMYATOSHSP-VXGBXAGGSA-N 0 3 241.331 0.639 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@H](CO)CC1 ZINC000378835429 388518119 /nfs/dbraw/zinc/51/81/19/388518119.db2.gz MBFNQYSWJBSPAT-MNOVXSKESA-N 0 3 240.347 0.748 20 0 BCADHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1ncccc1[O-] ZINC000516814337 388518452 /nfs/dbraw/zinc/51/84/52/388518452.db2.gz OMPHNPVWQHMGLB-VIFPVBQESA-N 0 3 237.303 0.601 20 0 BCADHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ncccc1[O-] ZINC000516814337 388518455 /nfs/dbraw/zinc/51/84/55/388518455.db2.gz OMPHNPVWQHMGLB-VIFPVBQESA-N 0 3 237.303 0.601 20 0 BCADHN C[C@@]1(O)CCN(C[C@H](O)CC2(O)CCC2)C1 ZINC000528399370 388519867 /nfs/dbraw/zinc/51/98/67/388519867.db2.gz WHKYUHPTKXNNPT-GHMZBOCLSA-N 0 3 229.320 0.109 20 0 BCADHN C[C@H](N(C)CC(=O)N(C)C)C(C)(C)O ZINC000347731466 388524529 /nfs/dbraw/zinc/52/45/29/388524529.db2.gz TUUWFAYKYKKMFY-QMMMGPOBSA-N 0 3 202.298 0.166 20 0 BCADHN C[C@]1(O)CCCN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000528433382 388525416 /nfs/dbraw/zinc/52/54/16/388525416.db2.gz RFDKPSYGFBQPIH-RYUDHWBXSA-N 0 3 243.347 0.499 20 0 BCADHN Cc1ncccc1CN1C[C@@H](CO)[C@H](CO)C1 ZINC000528600100 388550039 /nfs/dbraw/zinc/55/00/39/388550039.db2.gz XIJCWCOUGFAHAB-STQMWFEESA-N 0 3 236.315 0.423 20 0 BCADHN C[C@@H](CN[C@H]1CSC1(C)C)S(C)(=O)=O ZINC000516966646 388528654 /nfs/dbraw/zinc/52/86/54/388528654.db2.gz XOLIRAFVTGDAKB-YUMQZZPRSA-N 0 3 237.390 0.903 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N(C)CCCCO ZINC000349919675 388528799 /nfs/dbraw/zinc/52/87/99/388528799.db2.gz IATGJSAJFVOHOT-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN CC[C@]1(C)CCCN([C@H]2CC(=O)NC2=O)C1 ZINC000516977955 388529757 /nfs/dbraw/zinc/52/97/57/388529757.db2.gz LXQYMELVQJZHNH-JOYOIKCWSA-N 0 3 224.304 0.914 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)C2)CCN1C ZINC000516971615 388529789 /nfs/dbraw/zinc/52/97/89/388529789.db2.gz FTTUOXKRIHRANO-VWYCJHECSA-N 0 3 238.331 0.955 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1C[C@H](O)[C@@H](C)C1 ZINC000351773084 388531937 /nfs/dbraw/zinc/53/19/37/388531937.db2.gz BSPBAOZMVRZQJI-DCAQKATOSA-N 0 3 228.336 0.556 20 0 BCADHN Cc1cc(C)n(CCN2C[C@@H](C)[C@@H](O)C2)n1 ZINC000351807102 388533407 /nfs/dbraw/zinc/53/34/07/388533407.db2.gz GSYCIFFDEHBORG-SKDRFNHKSA-N 0 3 223.320 0.813 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2cccnn2)C1 ZINC000528486498 388533634 /nfs/dbraw/zinc/53/36/34/388533634.db2.gz NHEKZCSGBXMRMH-JTQLQIEISA-N 0 3 234.303 0.548 20 0 BCADHN CC1(C)CN(C[C@H](O)CC2(O)CCC2)C[C@@H]1O ZINC000528485536 388534001 /nfs/dbraw/zinc/53/40/01/388534001.db2.gz RSQVONIDHUCIGP-MNOVXSKESA-N 0 3 243.347 0.355 20 0 BCADHN C[C@@H]([NH3+])c1ccc(CNC(=O)c2c[n-]nn2)cc1 ZINC000646804935 388534316 /nfs/dbraw/zinc/53/43/16/388534316.db2.gz KXBIGXXFMPMEAU-MRVPVSSYSA-N 0 3 245.286 0.754 20 0 BCADHN C[C@@H]([NH3+])c1ccc(CNC(=O)c2cnn[n-]2)cc1 ZINC000646804935 388534320 /nfs/dbraw/zinc/53/43/20/388534320.db2.gz KXBIGXXFMPMEAU-MRVPVSSYSA-N 0 3 245.286 0.754 20 0 BCADHN C[C@@H]([NH3+])c1ccc(CNC(=O)c2cn[n-]n2)cc1 ZINC000646804935 388534324 /nfs/dbraw/zinc/53/43/24/388534324.db2.gz KXBIGXXFMPMEAU-MRVPVSSYSA-N 0 3 245.286 0.754 20 0 BCADHN c1nnc2c(N[C@@H]3CCN(C4CC4)C3)nccn12 ZINC000079469545 388535237 /nfs/dbraw/zinc/53/52/37/388535237.db2.gz YZPWBWDPMFANQD-SECBINFHSA-N 0 3 244.302 0.773 20 0 BCADHN C/C(Cl)=C/CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000528507402 388536812 /nfs/dbraw/zinc/53/68/12/388536812.db2.gz GOURWTPODKJMOH-BBYBGLFNSA-N 0 3 218.728 0.736 20 0 BCADHN O=C(c1ccc2c(c1)CNC2)N1CCNCC1 ZINC000082652929 388587792 /nfs/dbraw/zinc/58/77/92/388587792.db2.gz JVYYRJKOBYRNAI-UHFFFAOYSA-N 0 3 231.299 0.335 20 0 BCADHN CCOC[C@H]1CCCN([C@H]2CCNC2=O)C1 ZINC000245706894 388600007 /nfs/dbraw/zinc/60/00/07/388600007.db2.gz XUJJBNPHJHFROX-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000186805507 388603591 /nfs/dbraw/zinc/60/35/91/388603591.db2.gz RLKUFRXYCQBMLY-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC000186805489 388603801 /nfs/dbraw/zinc/60/38/01/388603801.db2.gz RLKUFRXYCQBMLY-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000186805470 388604058 /nfs/dbraw/zinc/60/40/58/388604058.db2.gz RLKUFRXYCQBMLY-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN O=C(CCC1CC1)NC[C@@H]1CNCCO1 ZINC000400813401 388605090 /nfs/dbraw/zinc/60/50/90/388605090.db2.gz ZHUMUIIGRCRCDR-JTQLQIEISA-N 0 3 212.293 0.281 20 0 BCADHN CN(C)CC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530025224 388605478 /nfs/dbraw/zinc/60/54/78/388605478.db2.gz PUWMDYAECCTTNC-GFCCVEGCSA-N 0 3 239.363 0.681 20 0 BCADHN O=C(CO)NC[C@@H]1CCN1C1CCCC1 ZINC000530022426 388605922 /nfs/dbraw/zinc/60/59/22/388605922.db2.gz GLFSVGJXKVSKLA-JTQLQIEISA-N 0 3 212.293 0.112 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC[C@](C)(O)C1 ZINC000245861464 388608100 /nfs/dbraw/zinc/60/81/00/388608100.db2.gz FLXGTGGYBANSSF-ONGXEEELSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@H](N)C(=O)Nc1cc([C@@H]2C[C@H]2C)[nH]n1 ZINC000245890250 388609495 /nfs/dbraw/zinc/60/94/95/388609495.db2.gz CEGOQRQJXXGUPO-DSYKOEDSSA-N 0 3 208.265 0.819 20 0 BCADHN CC(C)[C@H]1CN([C@H]2COC[C@H]2O)CCCO1 ZINC000550561812 388610623 /nfs/dbraw/zinc/61/06/23/388610623.db2.gz LAJXPSSJNOBBEL-QJPTWQEYSA-N 0 3 229.320 0.493 20 0 BCADHN CSC[C@@H](O)CN1CCN(CC(C)C)CC1 ZINC000187673206 388610927 /nfs/dbraw/zinc/61/09/27/388610927.db2.gz PDOLWVDMRYWGCT-LBPRGKRZSA-N 0 3 246.420 0.984 20 0 BCADHN CC[C@H](C(=O)NCC1COC1)N(C)C ZINC000530116602 388611072 /nfs/dbraw/zinc/61/10/72/388611072.db2.gz HMRFLTFQHWMISJ-SECBINFHSA-N 0 3 200.282 0.089 20 0 BCADHN CC(C)[C@H]1CN([C@H]2COC[C@H]2O)CCS1 ZINC000550681709 388613309 /nfs/dbraw/zinc/61/33/09/388613309.db2.gz DNFOJFPQXUVHKJ-HBNTYKKESA-N 0 3 231.361 0.820 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)C[C@H]1CCC[C@H]1O ZINC000246066115 388615017 /nfs/dbraw/zinc/61/50/17/388615017.db2.gz BLXXBHIXVQQMEK-GMTAPVOTSA-N 0 3 228.336 0.556 20 0 BCADHN C[C@@H](c1cccnc1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000528610829 388550997 /nfs/dbraw/zinc/55/09/97/388550997.db2.gz ZSHVMRZDOYCYHQ-DRZSPHRISA-N 0 3 236.315 0.675 20 0 BCADHN COC[C@H](C)N(C)CCN1CCCC1=O ZINC000080027141 388551430 /nfs/dbraw/zinc/55/14/30/388551430.db2.gz GQKROYKJPCWYNC-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN C[C@@H](O)CN[C@@]1(CO)COc2ccccc2C1 ZINC000528645904 388554356 /nfs/dbraw/zinc/55/43/56/388554356.db2.gz OYEIZPMXWNWYSJ-MFKMUULPSA-N 0 3 237.299 0.323 20 0 BCADHN CC[C@@H](NC(=O)[C@H](C)N)[C@H]1CCCO1 ZINC000517580686 388554608 /nfs/dbraw/zinc/55/46/08/388554608.db2.gz FINDJPMOXFMGOG-DJLDLDEBSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)C(C)(C)N ZINC000528663715 388556247 /nfs/dbraw/zinc/55/62/47/388556247.db2.gz UILKODSTEQIBRS-RBXMUDONSA-N 0 3 214.309 0.652 20 0 BCADHN CCOC[C@H]1CN(C(=O)[C@@H](N)C(C)C)CCO1 ZINC000528660621 388556291 /nfs/dbraw/zinc/55/62/91/388556291.db2.gz IWQIELQRMJFXEB-MNOVXSKESA-N 0 3 244.335 0.234 20 0 BCADHN C[C@@]1(O)C[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000517717653 388557219 /nfs/dbraw/zinc/55/72/19/388557219.db2.gz TUACFASFXFHUBY-KLPPZKSPSA-N 0 3 238.331 0.644 20 0 BCADHN COc1ncccc1NC(=O)[C@H]1CCN(C)C1 ZINC000521073474 388561837 /nfs/dbraw/zinc/56/18/37/388561837.db2.gz VRQBHAHYAALMMP-VIFPVBQESA-N 0 3 235.287 0.980 20 0 BCADHN CC(=O)c1ccc(C(=O)N[C@H](CN)C2CC2)o1 ZINC000521226995 388565410 /nfs/dbraw/zinc/56/54/10/388565410.db2.gz SXFHHAKOQWMEMF-SECBINFHSA-N 0 3 236.271 0.949 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)N(C)C ZINC000528755834 388566812 /nfs/dbraw/zinc/56/68/12/388566812.db2.gz RXOYHACECOIGOP-LOKLDPHHSA-N 0 3 214.309 0.476 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)N(C)C ZINC000528755835 388567042 /nfs/dbraw/zinc/56/70/42/388567042.db2.gz RXOYHACECOIGOP-PKIKSRDPSA-N 0 3 214.309 0.476 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528756832 388567547 /nfs/dbraw/zinc/56/75/47/388567547.db2.gz OLLBMDWPBYNXCC-SVDPJWKOSA-N 0 3 228.336 0.866 20 0 BCADHN CCN(CC)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000367835205 388567595 /nfs/dbraw/zinc/56/75/95/388567595.db2.gz XINMHUZOTCCQQH-IUCAKERBSA-N 0 3 217.288 0.738 20 0 BCADHN CSCC[C@H](N)C(=O)N1CCOC[C@H](C)C1 ZINC000368402532 388567940 /nfs/dbraw/zinc/56/79/40/388567940.db2.gz LZEFKPMEOZWDEH-ZJUUUORDSA-N 0 3 246.376 0.562 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@H]1CCN(C)C1=O ZINC000528760334 388568474 /nfs/dbraw/zinc/56/84/74/388568474.db2.gz XNQQKFRPSXORMI-QUARPLMYSA-N 0 3 226.320 0.619 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N[C@@H]1CCN(C)C1=O ZINC000528760335 388568517 /nfs/dbraw/zinc/56/85/17/388568517.db2.gz XNQQKFRPSXORMI-RCZSTQMZSA-N 0 3 226.320 0.619 20 0 BCADHN CSCC[C@H](N)C(=O)N1CCOC[C@@H](C)C1 ZINC000368402531 388568618 /nfs/dbraw/zinc/56/86/18/388568618.db2.gz LZEFKPMEOZWDEH-UWVGGRQHSA-N 0 3 246.376 0.562 20 0 BCADHN CC[C@@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368648552 388569940 /nfs/dbraw/zinc/56/99/40/388569940.db2.gz VNCMUVWKGAWOLP-VGMNWLOBSA-N 0 3 202.273 0.849 20 0 BCADHN CNC(=O)[C@@H](NCCC(=O)NC(C)C)C(C)C ZINC000183679127 388571547 /nfs/dbraw/zinc/57/15/47/388571547.db2.gz AKADYLSCEMHTSP-NSHDSACASA-N 0 3 243.351 0.261 20 0 BCADHN CC(C)NC(=O)NCCN(C)C[C@@H]1CCCO1 ZINC000581129426 388571552 /nfs/dbraw/zinc/57/15/52/388571552.db2.gz RHQQYARXRMQMCN-NSHDSACASA-N 0 3 243.351 0.805 20 0 BCADHN CCC(CC)C(=O)NCCN(CC)CCO ZINC000184000393 388573103 /nfs/dbraw/zinc/57/31/03/388573103.db2.gz DKFOHIWRQLRKKD-UHFFFAOYSA-N 0 3 230.352 0.853 20 0 BCADHN CC(C(=O)N1CCC(C)(C)C1)S(C)(=O)=O ZINC000081351443 388573143 /nfs/dbraw/zinc/57/31/43/388573143.db2.gz JUOMZLAJMBZUJK-QMMMGPOBSA-N 0 3 233.333 0.678 20 0 BCADHN CCN(CCO)CCNC(=O)C1(CC)CCC1 ZINC000183977288 388573691 /nfs/dbraw/zinc/57/36/91/388573691.db2.gz LOOQFKJUAHKSBZ-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H](C)SC ZINC000184000663 388573753 /nfs/dbraw/zinc/57/37/53/388573753.db2.gz RVUSNLQYWVDFES-SECBINFHSA-N 0 3 234.365 0.168 20 0 BCADHN CCCCC(=O)NCCN(CC)CCO ZINC000183999795 388573999 /nfs/dbraw/zinc/57/39/99/388573999.db2.gz FUGATLBTFHTHHQ-UHFFFAOYSA-N 0 3 216.325 0.607 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cccnn2)CN1C1CC1 ZINC000528810206 388574637 /nfs/dbraw/zinc/57/46/37/388574637.db2.gz ROBJHBCURMIFRL-ZJUUUORDSA-N 0 3 246.314 0.832 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCCC[C@H]1CO ZINC000252731877 388575069 /nfs/dbraw/zinc/57/50/69/388575069.db2.gz SAGDCWOUZHHCHR-OUAUKWLOSA-N 0 3 249.376 0.560 20 0 BCADHN CCC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184288384 388576083 /nfs/dbraw/zinc/57/60/83/388576083.db2.gz VUXNBOAUFVIRLV-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN C[C@H](C(=O)NC(C)(C)C)N1CC[C@@H]([C@H](C)O)C1 ZINC000252753267 388576439 /nfs/dbraw/zinc/57/64/39/388576439.db2.gz CGOUGBHXDMGPPY-OUAUKWLOSA-N 0 3 242.363 0.992 20 0 BCADHN CC(C)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184321916 388577415 /nfs/dbraw/zinc/57/74/15/388577415.db2.gz LUVKXSJVMFAWMX-GFCCVEGCSA-N 0 3 241.379 0.785 20 0 BCADHN CC(C)C[C@H]1CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000245419213 388577837 /nfs/dbraw/zinc/57/78/37/388577837.db2.gz AVNLDQMXDHKUOU-NXEZZACHSA-N 0 3 241.335 0.938 20 0 BCADHN CCOC[C@H]1CCN(CC(=O)N(C)C2CC2)C1 ZINC000081519491 388580230 /nfs/dbraw/zinc/58/02/30/388580230.db2.gz NXOJRROKQXQXHJ-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccon1 ZINC000261541765 388580595 /nfs/dbraw/zinc/58/05/95/388580595.db2.gz GFJBFFWZQYDHBC-JGVFFNPUSA-N 0 3 209.249 0.497 20 0 BCADHN CCOC[C@@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC000081521626 388580807 /nfs/dbraw/zinc/58/08/07/388580807.db2.gz HMNKUGOGQCDAQJ-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H]1CN(Cc2ccnc(N)c2)CC[C@H]1O ZINC000253205835 388586011 /nfs/dbraw/zinc/58/60/11/388586011.db2.gz WPSHTXNRXQERES-MWLCHTKSSA-N 0 3 221.304 0.867 20 0 BCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)N(C)C ZINC000247549227 388666238 /nfs/dbraw/zinc/66/62/38/388666238.db2.gz YQUIWZSGIPWVTM-NXEZZACHSA-N 0 3 213.325 0.940 20 0 BCADHN CC[C@H](O)CN1CCCC[C@H]1C(=O)NC ZINC000247606948 388667763 /nfs/dbraw/zinc/66/77/63/388667763.db2.gz LUECEKMFXREJMR-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN CC[N@H+](Cc1ncccc1[O-])[C@@H](C)CO ZINC000552124915 388670826 /nfs/dbraw/zinc/67/08/26/388670826.db2.gz XVGSBAIDFLREAP-VIFPVBQESA-N 0 3 210.277 0.990 20 0 BCADHN CC[N@@H+](Cc1ncccc1[O-])[C@@H](C)CO ZINC000552124915 388670828 /nfs/dbraw/zinc/67/08/28/388670828.db2.gz XVGSBAIDFLREAP-VIFPVBQESA-N 0 3 210.277 0.990 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](COC)C1CC1 ZINC000125356591 388671031 /nfs/dbraw/zinc/67/10/31/388671031.db2.gz JZLLHLNJIRVHLR-MIMYLULJSA-N 0 3 228.336 0.901 20 0 BCADHN CCNS(=O)(=O)[C@@H]1CCN([C@H](C)CC)C1 ZINC000248374013 388677688 /nfs/dbraw/zinc/67/76/88/388677688.db2.gz NIADGSVPBUTIDP-NXEZZACHSA-N 0 3 234.365 0.799 20 0 BCADHN CCS[C@H]1CCC[C@H]1NC(=O)CN ZINC000225554127 388680352 /nfs/dbraw/zinc/68/03/52/388680352.db2.gz GOYSRAYQXRCPLG-SFYZADRCSA-N 0 3 202.323 0.736 20 0 BCADHN CSCCN1CCC(N2CN=NC2=O)CC1 ZINC000551039665 388619770 /nfs/dbraw/zinc/61/97/70/388619770.db2.gz UBLMPQADFOMFEX-UHFFFAOYSA-N 0 3 242.348 0.984 20 0 BCADHN CO[C@@H]1CCCN(C[C@H](O)COC(C)C)C1 ZINC000246139295 388620728 /nfs/dbraw/zinc/62/07/28/388620728.db2.gz QOHCSVNXBQDCNP-NWDGAFQWSA-N 0 3 231.336 0.883 20 0 BCADHN CCOC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC ZINC000521643437 388620951 /nfs/dbraw/zinc/62/09/51/388620951.db2.gz FLNYLDXROARZFK-DTWKUNHWSA-N 0 3 228.292 0.148 20 0 BCADHN Cc1nn(C)c(C)c1CNC[C@H]1COCCN1 ZINC000530181594 388622820 /nfs/dbraw/zinc/62/28/20/388622820.db2.gz NJITWDFHRDLSJO-NSHDSACASA-N 0 3 238.335 0.115 20 0 BCADHN c1nc2ccccn2c1CNC[C@H]1COCCN1 ZINC000530181003 388622916 /nfs/dbraw/zinc/62/29/16/388622916.db2.gz INXQRTPSFXOAHF-NSHDSACASA-N 0 3 246.314 0.412 20 0 BCADHN Cc1ncccc1CNC[C@H]1COCCN1 ZINC000530180558 388623188 /nfs/dbraw/zinc/62/31/88/388623188.db2.gz CXTUTNNLGYKFKW-LBPRGKRZSA-N 0 3 221.304 0.468 20 0 BCADHN Cn1cncc1CN[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000551220905 388623613 /nfs/dbraw/zinc/62/36/13/388623613.db2.gz LDWGRNYPKFUPSF-YPMHNXCESA-N 0 3 248.330 0.567 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2nncs2)CCN1C ZINC000530183805 388623658 /nfs/dbraw/zinc/62/36/58/388623658.db2.gz DCAQRWLIXWPPRS-JGVFFNPUSA-N 0 3 240.332 0.751 20 0 BCADHN C[C@@H](CNC(=O)c1nncs1)N(C)C1CC1 ZINC000530184631 388624004 /nfs/dbraw/zinc/62/40/04/388624004.db2.gz NSONXJSQTGOWOB-ZETCQYMHSA-N 0 3 240.332 0.751 20 0 BCADHN CN(C)C1(CNC(=O)c2nncs2)CCC1 ZINC000530188124 388624467 /nfs/dbraw/zinc/62/44/67/388624467.db2.gz XFQQVLRTAXRGKW-UHFFFAOYSA-N 0 3 240.332 0.752 20 0 BCADHN C[C@H](NC[C@H]1COCCN1)c1cncs1 ZINC000530219135 388631487 /nfs/dbraw/zinc/63/14/87/388631487.db2.gz FRGURSWYGDYBDT-IUCAKERBSA-N 0 3 227.333 0.782 20 0 BCADHN CC[C@@H](NC[C@H]1COCCN1)c1cnn(C)c1 ZINC000530220927 388632939 /nfs/dbraw/zinc/63/29/39/388632939.db2.gz KPEYKAUVHPPPOQ-NWDGAFQWSA-N 0 3 238.335 0.449 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1)c1ccncn1 ZINC000530223510 388633860 /nfs/dbraw/zinc/63/38/60/388633860.db2.gz KGDBWZSTAAVTGT-VHSXEESVSA-N 0 3 222.292 0.116 20 0 BCADHN C[C@H](O)CN1CCN(CCCF)CC1 ZINC000189405714 388633885 /nfs/dbraw/zinc/63/38/85/388633885.db2.gz NVGLKCNAKBZQRF-JTQLQIEISA-N 0 3 204.289 0.344 20 0 BCADHN C[C@@H](NC[C@@H]1COCCN1)c1ccncn1 ZINC000530223506 388634123 /nfs/dbraw/zinc/63/41/23/388634123.db2.gz KGDBWZSTAAVTGT-NXEZZACHSA-N 0 3 222.292 0.116 20 0 BCADHN CCn1cc([C@H](C)NC[C@H]2COCCN2)cn1 ZINC000530224354 388634343 /nfs/dbraw/zinc/63/43/43/388634343.db2.gz RCZYAVWXIZBKIA-JQWIXIFHSA-N 0 3 238.335 0.542 20 0 BCADHN COC[C@@H](NCC(=O)NC(C)C)C(C)C ZINC000083400092 388638617 /nfs/dbraw/zinc/63/86/17/388638617.db2.gz CFDWPAVCKYKQPW-SNVBAGLBSA-N 0 3 216.325 0.772 20 0 BCADHN COC[C@H](NCC(=O)N1CCCC1)C(C)C ZINC000083399827 388638738 /nfs/dbraw/zinc/63/87/38/388638738.db2.gz VNEBAOOMCWLBCM-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CCNC(=O)NC(=O)CN1CCC[C@@H](C)[C@H]1C ZINC000246486914 388638907 /nfs/dbraw/zinc/63/89/07/388638907.db2.gz AINVGWLAEOOWIP-NXEZZACHSA-N 0 3 241.335 0.953 20 0 BCADHN CCCOc1ccc(CNC[C@@H](O)CO)cc1 ZINC000083367149 388639429 /nfs/dbraw/zinc/63/94/29/388639429.db2.gz BBUHQGLDHTVMKS-GFCCVEGCSA-N 0 3 239.315 0.918 20 0 BCADHN COC[C@H](NCC(=O)N(C)C1CC1)C(C)C ZINC000083399884 388639476 /nfs/dbraw/zinc/63/94/76/388639476.db2.gz SVKNFYDGUXZDJF-NSHDSACASA-N 0 3 228.336 0.868 20 0 BCADHN COCc1ccc(CNC[C@@H]2COCCN2)o1 ZINC000530247496 388639782 /nfs/dbraw/zinc/63/97/82/388639782.db2.gz VAKXFBCJTRFZPO-SNVBAGLBSA-N 0 3 240.303 0.504 20 0 BCADHN C[C@@H]1NC(=O)CC[C@@H]1N[C@H]1CCN(C)C1=O ZINC000328598045 388645794 /nfs/dbraw/zinc/64/57/94/388645794.db2.gz AWVIPZRYKZXSAZ-CIUDSAMLSA-N 0 3 225.292 0.314 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246622546 388646205 /nfs/dbraw/zinc/64/62/05/388646205.db2.gz KAEUANDPLNFNAE-AXTSPUMRSA-N 0 3 212.293 0.407 20 0 BCADHN O=S1(=O)CCCC[C@@H]1CN[C@@H]1CCCOC1 ZINC000328623554 388646237 /nfs/dbraw/zinc/64/62/37/388646237.db2.gz YZKBYQJVAIKBKD-GHMZBOCLSA-N 0 3 247.360 0.722 20 0 BCADHN CNC(=O)c1ccc(CNCCC(N)=O)cc1 ZINC000037862541 388649159 /nfs/dbraw/zinc/64/91/59/388649159.db2.gz ITRXTIUIUQLIFS-UHFFFAOYSA-N 0 3 235.287 0.011 20 0 BCADHN Cn1cncc1CC(=O)N1CCN2CCC1CC2 ZINC000530345343 388651083 /nfs/dbraw/zinc/65/10/83/388651083.db2.gz KYNXKRYCFJFTAX-UHFFFAOYSA-N 0 3 248.330 0.269 20 0 BCADHN CC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H](C)N1 ZINC000620897096 388652475 /nfs/dbraw/zinc/65/24/75/388652475.db2.gz PDLFIOGHAFESHS-DTWKUNHWSA-N 0 3 222.292 0.622 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](O)C2CC2)C[C@H](C)N1 ZINC000620897932 388652910 /nfs/dbraw/zinc/65/29/10/388652910.db2.gz HBIMPNPEEDQOGV-GDPRMGEGSA-N 0 3 226.320 0.356 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000246862102 388654404 /nfs/dbraw/zinc/65/44/04/388654404.db2.gz CLJNJAAKCVZJGN-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CN(C[C@H]1CCOC1)[C@H]1CCN(C)C1=O ZINC000247178520 388660078 /nfs/dbraw/zinc/66/00/78/388660078.db2.gz UNTZOLBQTOQDFS-ZJUUUORDSA-N 0 3 212.293 0.185 20 0 BCADHN CCCN(C(=O)CC(=O)NC)[C@H]1CCN(C)C1 ZINC000648997094 388685767 /nfs/dbraw/zinc/68/57/67/388685767.db2.gz IXOXSOFGNHUUPU-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)[C@H](C)OC)N(C)C ZINC000191456814 388664015 /nfs/dbraw/zinc/66/40/15/388664015.db2.gz PWGPBKIVXWWYND-GUBZILKMSA-N 0 3 216.325 0.866 20 0 BCADHN CCN1CCC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC000249840362 388734194 /nfs/dbraw/zinc/73/41/94/388734194.db2.gz YVUTYMWHCWSPKD-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN CCN(CC(=O)NC(N)=O)[C@@H](C)C(C)C ZINC000067653805 388737270 /nfs/dbraw/zinc/73/72/70/388737270.db2.gz ISRLLSOZIJGFDI-QMMMGPOBSA-N 0 3 215.297 0.548 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@H]2CCO[C@H]2C)C1 ZINC000538876949 388737930 /nfs/dbraw/zinc/73/79/30/388737930.db2.gz DTHWGXXOQVNACC-WOPDTQHZSA-N 0 3 240.347 0.869 20 0 BCADHN CS[C@@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000194700877 388740223 /nfs/dbraw/zinc/74/02/23/388740223.db2.gz KCIFQBRMAWQGEY-IUCAKERBSA-N 0 3 216.350 0.948 20 0 BCADHN CSCCNC(C)(C)C(=O)N(C)C ZINC000089912369 388742073 /nfs/dbraw/zinc/74/20/73/388742073.db2.gz WPCZWPDXKNFVNP-UHFFFAOYSA-N 0 3 204.339 0.806 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H](C)c1cccs1 ZINC000227349637 388748573 /nfs/dbraw/zinc/74/85/73/388748573.db2.gz QJONVRZWERODRT-SFYZADRCSA-N 0 3 228.317 0.899 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc(F)cc1 ZINC000227344597 388749108 /nfs/dbraw/zinc/74/91/08/388749108.db2.gz XJGCAAGYYDRTMO-VIFPVBQESA-N 0 3 212.224 0.738 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc(C)cn1 ZINC000227346392 388749507 /nfs/dbraw/zinc/74/95/07/388749507.db2.gz FDYBCCBIFSVXLP-MRVPVSSYSA-N 0 3 209.249 0.302 20 0 BCADHN CO[C@@H](CN)C(=O)NC1(C)CCCC1 ZINC000227377264 388749834 /nfs/dbraw/zinc/74/98/34/388749834.db2.gz PNNPQDASVSBEHI-QMMMGPOBSA-N 0 3 200.282 0.409 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000227383449 388749850 /nfs/dbraw/zinc/74/98/50/388749850.db2.gz HZJOGNRIWGXSLD-DJLDLDEBSA-N 0 3 200.282 0.265 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@]1(C)CCCS1 ZINC000227392417 388750221 /nfs/dbraw/zinc/75/02/21/388750221.db2.gz WMTOOJHEGAUOLR-WPRPVWTQSA-N 0 3 232.349 0.362 20 0 BCADHN CO[C@@H](CN)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000227396490 388750296 /nfs/dbraw/zinc/75/02/96/388750296.db2.gz MSHLXZYBIBTJTP-AEJSXWLSSA-N 0 3 212.293 0.219 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1scnc1C ZINC000227383469 388750302 /nfs/dbraw/zinc/75/03/02/388750302.db2.gz ARYIORQRLMVPNP-ZETCQYMHSA-N 0 3 229.305 0.041 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC(C)(C)CC1 ZINC000227382236 388750343 /nfs/dbraw/zinc/75/03/43/388750343.db2.gz RZVWUVFIQIUDHS-VIFPVBQESA-N 0 3 214.309 0.609 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1cscn1 ZINC000227378694 388750468 /nfs/dbraw/zinc/75/04/68/388750468.db2.gz DZFYGXAAAPCZEV-MRVPVSSYSA-N 0 3 229.305 0.075 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@H](C(C)C)C1 ZINC000227402695 388750701 /nfs/dbraw/zinc/75/07/01/388750701.db2.gz MYCIMCDESDDKNV-UWVGGRQHSA-N 0 3 214.309 0.465 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@H]1CC1(C)C ZINC000227417694 388751447 /nfs/dbraw/zinc/75/14/47/388751447.db2.gz RGUHBTBNLFOBJJ-SFYZADRCSA-N 0 3 200.282 0.122 20 0 BCADHN CO[C@H](CN)C(=O)NCC1(C(C)C)CC1 ZINC000227417961 388751735 /nfs/dbraw/zinc/75/17/35/388751735.db2.gz LDULOENDJTWHGA-SECBINFHSA-N 0 3 214.309 0.513 20 0 BCADHN CCN1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000126104302 388688938 /nfs/dbraw/zinc/68/89/38/388688938.db2.gz YWNNZVOSYBZCPF-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN CCCN(C(=O)[C@@H](C)OC)[C@@H]1CCN(C)C1 ZINC000649000867 388689553 /nfs/dbraw/zinc/68/95/53/388689553.db2.gz FAMYQPPTVJAEHJ-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CCOC[C@H]1C ZINC000248754326 388692872 /nfs/dbraw/zinc/69/28/72/388692872.db2.gz HOIZJTNRHJGITC-MNOVXSKESA-N 0 3 228.336 0.727 20 0 BCADHN O=C(Cn1cccn1)NCCN1CCCC1 ZINC000193151749 388693705 /nfs/dbraw/zinc/69/37/05/388693705.db2.gz RGDMFZFMGLYKOZ-UHFFFAOYSA-N 0 3 222.292 0.095 20 0 BCADHN CCOCCCNC(=O)NC[C@@H]1CCCN1C ZINC000195121150 388697625 /nfs/dbraw/zinc/69/76/25/388697625.db2.gz SVFXGLDSASTGME-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)C[C@@H]1CCCO1 ZINC000193267436 388698328 /nfs/dbraw/zinc/69/83/28/388698328.db2.gz PIVNWHDDXUOWJU-BDAKNGLRSA-N 0 3 249.332 0.057 20 0 BCADHN C[C@@H](O)CN(Cc1ccncc1)[C@H](C)CO ZINC000248927041 388699934 /nfs/dbraw/zinc/69/99/34/388699934.db2.gz LTFCYOAUKGDTLL-GHMZBOCLSA-N 0 3 224.304 0.645 20 0 BCADHN CCOCCN(C[C@@H](C)O)[C@H](C)CO ZINC000248983953 388702509 /nfs/dbraw/zinc/70/25/09/388702509.db2.gz VXTLALPYBOKELX-NXEZZACHSA-N 0 3 205.298 0.087 20 0 BCADHN CCOc1ncccc1C(=O)NCCN(C)C ZINC000126899063 388708061 /nfs/dbraw/zinc/70/80/61/388708061.db2.gz FRUHKYOHOOYPAV-UHFFFAOYSA-N 0 3 237.303 0.772 20 0 BCADHN CC[C@@H](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000552439376 388708785 /nfs/dbraw/zinc/70/87/85/388708785.db2.gz JIILEMJGOFXAFE-VWYCJHECSA-N 0 3 228.336 0.556 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N(C)CC(C)C ZINC000068334692 388711449 /nfs/dbraw/zinc/71/14/49/388711449.db2.gz ILRMBTLNTFUXDG-VIFPVBQESA-N 0 3 230.308 0.252 20 0 BCADHN CC(C)N1CCN(Cc2ccnn2C)CC1 ZINC000127028893 388712302 /nfs/dbraw/zinc/71/23/02/388712302.db2.gz PTPDCHQGGNFPQU-UHFFFAOYSA-N 0 3 222.336 0.946 20 0 BCADHN CSC[C@H](O)CN1CCC[C@@H](O)C1 ZINC000249285136 388715346 /nfs/dbraw/zinc/71/53/46/388715346.db2.gz RRAWFDJOMPLYGZ-RKDXNWHRSA-N 0 3 205.323 0.167 20 0 BCADHN CCN(CC(=O)NCC(=O)OC)CC(C)C ZINC000193799666 388716402 /nfs/dbraw/zinc/71/64/02/388716402.db2.gz CUWWDSUMTXHNHS-UHFFFAOYSA-N 0 3 230.308 0.254 20 0 BCADHN CNCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000249372151 388717697 /nfs/dbraw/zinc/71/76/97/388717697.db2.gz ATXTWNAKBQMLHI-FBIMIBRVSA-N 0 3 224.304 0.280 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(C)C[C@@H]1C ZINC000226402702 388718584 /nfs/dbraw/zinc/71/85/84/388718584.db2.gz AGVOFGJOZDXFDY-VWYCJHECSA-N 0 3 227.352 0.522 20 0 BCADHN CC[C@@H](O)CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000249389323 388719747 /nfs/dbraw/zinc/71/97/47/388719747.db2.gz QMIOICWVIRONHS-VXGBXAGGSA-N 0 3 244.379 0.534 20 0 BCADHN CCN(CCO)CCN1CCO[C@@H](C)C1 ZINC000249405098 388721104 /nfs/dbraw/zinc/72/11/04/388721104.db2.gz XBYGDQGVXCEFAM-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN COCCCN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000249524654 388726297 /nfs/dbraw/zinc/72/62/97/388726297.db2.gz XLKSUSTZEMJRMG-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN COc1ncccc1NC(=O)NCCN(C)C ZINC000194291518 388728682 /nfs/dbraw/zinc/72/86/82/388728682.db2.gz OMWNKLDRBPCRDP-UHFFFAOYSA-N 0 3 238.291 0.773 20 0 BCADHN CC(=O)NCCCN1CC[C@@H](O)[C@@H](C)C1 ZINC000249562759 388728847 /nfs/dbraw/zinc/72/88/47/388728847.db2.gz MCAYVGZHFBQEAR-GXSJLCMTSA-N 0 3 214.309 0.215 20 0 BCADHN CC[C@H](O)CN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249569008 388728943 /nfs/dbraw/zinc/72/89/43/388728943.db2.gz NSEVDYMAXPEFOS-UTLUCORTSA-N 0 3 214.309 0.343 20 0 BCADHN C[C@@H]1CCN(CCCF)[C@@H](C(N)=O)C1 ZINC000249604040 388729209 /nfs/dbraw/zinc/72/92/09/388729209.db2.gz ZCOBZDSVSZLBFX-RKDXNWHRSA-N 0 3 202.273 0.932 20 0 BCADHN CSCCN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249592800 388729521 /nfs/dbraw/zinc/72/95/21/388729521.db2.gz VYFRNSPXVYORLD-RKDXNWHRSA-N 0 3 216.350 0.935 20 0 BCADHN CCN(CC)CC(=O)N1CCN(C2CC2)CC1 ZINC000127711937 388730322 /nfs/dbraw/zinc/73/03/22/388730322.db2.gz MFNYAAHNYDRLKC-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CO[C@@H]1CCCN(CCN2CCOC[C@@H]2C)C1 ZINC000249627475 388731118 /nfs/dbraw/zinc/73/11/18/388731118.db2.gz UJJQNFHAQMZXKP-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@H](CNC(=O)NCCCCO)N(C)C1CC1 ZINC000194419192 388732005 /nfs/dbraw/zinc/73/20/05/388732005.db2.gz JKFNOPXCVXCEDE-JTQLQIEISA-N 0 3 243.351 0.541 20 0 BCADHN COC[C@H](C)CN(C)[C@H](C)C[S@@](C)=O ZINC000249763450 388732419 /nfs/dbraw/zinc/73/24/19/388732419.db2.gz HYVHNKXAYSCUHF-GPCCPHFNSA-N 0 3 221.366 0.968 20 0 BCADHN C[C@@H](NC[C@@H](O)CN(C)C)c1cscn1 ZINC000127847442 388733403 /nfs/dbraw/zinc/73/34/03/388733403.db2.gz AMQIXCKKGRCBSQ-RKDXNWHRSA-N 0 3 229.349 0.716 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@@H](O)C2CCC2)C1 ZINC000649084334 388792467 /nfs/dbraw/zinc/79/24/67/388792467.db2.gz JBRNWONLLNPYLN-PWSUYJOCSA-N 0 3 240.347 0.605 20 0 BCADHN CCOC1CC(NCC(=O)N(C)CC)C1 ZINC000229587885 388796535 /nfs/dbraw/zinc/79/65/35/388796535.db2.gz NCHNUADPIYQGDL-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN CCNC(=O)NC(=O)CN1CCC[C@H](C)CC1 ZINC000068837926 388810484 /nfs/dbraw/zinc/81/04/84/388810484.db2.gz VDUNDQGNPTXLEM-JTQLQIEISA-N 0 3 241.335 0.954 20 0 BCADHN C[C@H]1OCC[C@]1(O)CNCc1cncs1 ZINC000227980373 388764438 /nfs/dbraw/zinc/76/44/38/388764438.db2.gz FRTYDJYVKYPADW-SCZZXKLOSA-N 0 3 228.317 0.773 20 0 BCADHN C[C@H]1OCC[C@@]1(O)CNCc1ccco1 ZINC000227979364 388764606 /nfs/dbraw/zinc/76/46/06/388764606.db2.gz JWMLWEPFTIWMIU-MWLCHTKSSA-N 0 3 211.261 0.909 20 0 BCADHN CO[C@H]1CCCN([C@@H](C)CN2CCOCC2)C1 ZINC000091555019 388766771 /nfs/dbraw/zinc/76/67/71/388766771.db2.gz JFZLZMXGWTTWFG-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN COCCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000252651755 388770500 /nfs/dbraw/zinc/77/05/00/388770500.db2.gz IRWXNPCESLHRQS-GHMZBOCLSA-N 0 3 243.351 0.614 20 0 BCADHN CC(C(=O)N[C@@H]1CC[C@@H](C)C1)S(C)(=O)=O ZINC000229026600 388778583 /nfs/dbraw/zinc/77/85/83/388778583.db2.gz CCCSCCFURDRJDQ-HRDYMLBCSA-N 0 3 233.333 0.724 20 0 BCADHN COC[C@@H](C)NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000539880865 388787621 /nfs/dbraw/zinc/78/76/21/388787621.db2.gz NDBTVVGMGPBUKW-VWYCJHECSA-N 0 3 243.351 0.803 20 0 BCADHN Cn1ccc(CNCC[C@@H]2CCOC2)n1 ZINC000230162851 388817938 /nfs/dbraw/zinc/81/79/38/388817938.db2.gz XHFKORNHUUWFBD-SNVBAGLBSA-N 0 3 209.293 0.936 20 0 BCADHN CC[C@@H]1CN(C[C@H](O)COC)CCS1 ZINC000076072783 135391209 /nfs/dbraw/zinc/39/12/09/135391209.db2.gz BIDFRCFBQAKTOJ-VHSXEESVSA-N 0 3 219.350 0.821 20 0 BCADHN CNCC(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000230243536 388821739 /nfs/dbraw/zinc/82/17/39/388821739.db2.gz SEQQIXQCLTWAJY-DTWKUNHWSA-N 0 3 200.282 0.089 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC[C@@H](OC)C1 ZINC000230267208 388822247 /nfs/dbraw/zinc/82/22/47/388822247.db2.gz RASSOWKFBLVUCF-KOLCDFICSA-N 0 3 231.292 0.021 20 0 BCADHN C[C@@H](CNC(=O)NC1CC1)N(C)C1CC1 ZINC000075665436 135391558 /nfs/dbraw/zinc/39/15/58/135391558.db2.gz NODLSXVMGPSZBK-QMMMGPOBSA-N 0 3 211.309 0.931 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC([C@@H](C)O)CC1 ZINC000225780724 388844403 /nfs/dbraw/zinc/84/44/03/388844403.db2.gz YYVCHQZZPLQNCU-SCZZXKLOSA-N 0 3 214.309 0.343 20 0 BCADHN CN1CCC[C@H](N2CCC[C@H](CO)C2)C1=O ZINC000540902196 388823753 /nfs/dbraw/zinc/82/37/53/388823753.db2.gz LMNMEQMOCVFHSP-QWRGUYRKSA-N 0 3 226.320 0.312 20 0 BCADHN CN1CCC[C@@H](N2CCC[C@@H](CO)C2)C1=O ZINC000540902194 388824798 /nfs/dbraw/zinc/82/47/98/388824798.db2.gz LMNMEQMOCVFHSP-GHMZBOCLSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@H](CNC(=O)N1CCOCC1)N(C)C1CC1 ZINC000069223878 388828289 /nfs/dbraw/zinc/82/82/89/388828289.db2.gz KLYOHJMEMAZAGN-SNVBAGLBSA-N 0 3 241.335 0.511 20 0 BCADHN Cn1nnnc1N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000564239615 388830942 /nfs/dbraw/zinc/83/09/42/388830942.db2.gz DIRJGRLFJZQQQV-NXEZZACHSA-N 0 3 236.323 0.131 20 0 BCADHN CCN1CC[C@H]2OCCN(C[C@H](C)O)[C@H]2C1 ZINC000555585712 388854838 /nfs/dbraw/zinc/85/48/38/388854838.db2.gz KKTFNGPRAQMFNG-SDDRHHMPSA-N 0 3 228.336 0.162 20 0 BCADHN COCC[C@H](C)N1CCN2CCOC[C@@H]2C1 ZINC000541699827 388865243 /nfs/dbraw/zinc/86/52/43/388865243.db2.gz DOCOTGUQKRRSPG-RYUDHWBXSA-N 0 3 228.336 0.428 20 0 BCADHN CN1CCC[C@H]1CNC(=O)c1ccc(=O)n(C)c1 ZINC000194697288 388879765 /nfs/dbraw/zinc/87/97/65/388879765.db2.gz GXINAUFLIVSMEA-NSHDSACASA-N 0 3 249.314 0.209 20 0 BCADHN CC(C)OCCC(=O)NC[C@@](C)(O)CN(C)C ZINC000152776117 388882193 /nfs/dbraw/zinc/88/21/93/388882193.db2.gz MXXUMOXUJSJAAM-GFCCVEGCSA-N 0 3 246.351 0.230 20 0 BCADHN CCC1(C(=O)NC[C@](C)(O)CN(C)C)CCC1 ZINC000152829148 388886105 /nfs/dbraw/zinc/88/61/05/388886105.db2.gz BIONGNVTPZFIAW-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN CCC1(C(=O)NC[C@@](C)(O)CN(C)C)CCC1 ZINC000152829249 388886135 /nfs/dbraw/zinc/88/61/35/388886135.db2.gz BIONGNVTPZFIAW-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccnc(N(C)C)c1 ZINC000564797596 388890468 /nfs/dbraw/zinc/89/04/68/388890468.db2.gz NQXXTCUQEHWWHE-SECBINFHSA-N 0 3 222.292 0.823 20 0 BCADHN O=C(CCOC1CNC1)NCCc1ccncc1 ZINC000564838710 388892959 /nfs/dbraw/zinc/89/29/59/388892959.db2.gz WZSXQNRBOSZJOL-UHFFFAOYSA-N 0 3 249.314 0.119 20 0 BCADHN CC[C@H](O)CNCC1(S(C)(=O)=O)CCC1 ZINC000564863239 388895090 /nfs/dbraw/zinc/89/50/90/388895090.db2.gz HUYREPASQBQXFO-VIFPVBQESA-N 0 3 235.349 0.314 20 0 BCADHN c1cnn(CCN2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000564881093 388896142 /nfs/dbraw/zinc/89/61/42/388896142.db2.gz NTWWOEUXJJKJRF-JTQLQIEISA-N 0 3 232.291 0.491 20 0 BCADHN CCCN[C@@H](C)C(=O)Nc1ccc(=O)n(C)c1 ZINC000564914834 388897321 /nfs/dbraw/zinc/89/73/21/388897321.db2.gz RQLNGIABIMVFIG-VIFPVBQESA-N 0 3 237.303 0.712 20 0 BCADHN OCc1cccc(CNCC2(O)CCC2)n1 ZINC000564975191 388903540 /nfs/dbraw/zinc/90/35/40/388903540.db2.gz MVMVQZRJGLKFKY-UHFFFAOYSA-N 0 3 222.288 0.579 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@H](CC)N(C)C ZINC000152734678 388877470 /nfs/dbraw/zinc/87/74/70/388877470.db2.gz RRAIRCZIPLKDPQ-MNOVXSKESA-N 0 3 230.352 0.851 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1c[nH]nc1C ZINC000070214779 388877681 /nfs/dbraw/zinc/87/76/81/388877681.db2.gz KXQSNHXLJWOWBE-JTQLQIEISA-N 0 3 236.319 0.932 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@@H]1CCN(C)C1=O ZINC000129959544 388877699 /nfs/dbraw/zinc/87/76/99/388877699.db2.gz NPFZINGCCHRFHW-XHNCKOQMSA-N 0 3 200.282 0.230 20 0 BCADHN O=C(C[C@H]1CCC[NH2+]1)Nc1ccncc1[O-] ZINC000564565514 388879150 /nfs/dbraw/zinc/87/91/50/388879150.db2.gz VYGOFPPDRNCKLB-MRVPVSSYSA-N 0 3 221.260 0.290 20 0 BCADHN CC(C)C(C)(C)NC(=O)C[C@@H]1CNCCO1 ZINC000564985910 388905866 /nfs/dbraw/zinc/90/58/66/388905866.db2.gz UGOKZJIASASWJC-SNVBAGLBSA-N 0 3 228.336 0.916 20 0 BCADHN Cc1nnc(NC(=O)[C@H]2CCCCCN2)n1C ZINC000564992685 388906469 /nfs/dbraw/zinc/90/64/69/388906469.db2.gz RUPOWNBAWWHDMF-SECBINFHSA-N 0 3 237.307 0.594 20 0 BCADHN Cc1nnc([N-]C(=O)[C@H]2CCCCC[NH2+]2)n1C ZINC000564992685 388906473 /nfs/dbraw/zinc/90/64/73/388906473.db2.gz RUPOWNBAWWHDMF-SECBINFHSA-N 0 3 237.307 0.594 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@@H](C)N)C1CCCCC1 ZINC000564990662 388907167 /nfs/dbraw/zinc/90/71/67/388907167.db2.gz WWTPYQZMTPMGBY-SCZZXKLOSA-N 0 3 242.319 0.572 20 0 BCADHN CNC(=O)CCCN1CCN(C)CC1(C)C ZINC000565162186 388919978 /nfs/dbraw/zinc/91/99/78/388919978.db2.gz HIKQMJODJUCMFB-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN CC[C@H](C)CN[C@@]1(C(N)=O)CCOC1 ZINC000565166710 388920246 /nfs/dbraw/zinc/92/02/46/388920246.db2.gz SODVUWIKBVBTPE-WPRPVWTQSA-N 0 3 200.282 0.267 20 0 BCADHN CN(CCc1cn[nH]c1)[C@H]1CCC(=O)N(C)C1 ZINC000565171494 388922124 /nfs/dbraw/zinc/92/21/24/388922124.db2.gz MEXHBMJFVDBJEM-NSHDSACASA-N 0 3 236.319 0.505 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCO[C@H](C)C2)C1 ZINC000565199323 388925032 /nfs/dbraw/zinc/92/50/32/388925032.db2.gz KJTBQGGXFSKOGW-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@H](C)N2CC(C)C2)C1 ZINC000565206363 388925912 /nfs/dbraw/zinc/92/59/12/388925912.db2.gz BPXSBYDRGJZNCK-RYUDHWBXSA-N 0 3 239.363 0.537 20 0 BCADHN Cc1ncncc1[C@@H](C)N[C@@H]1CC[C@H]1O ZINC000565218813 388926627 /nfs/dbraw/zinc/92/66/27/388926627.db2.gz PEQRHEYENKEWAU-FBIMIBRVSA-N 0 3 207.277 0.959 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](CCO)CC(C)C ZINC000565218231 388926717 /nfs/dbraw/zinc/92/67/17/388926717.db2.gz PGJSHLSIVVYFQW-QWRGUYRKSA-N 0 3 230.352 0.755 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000565298797 388935709 /nfs/dbraw/zinc/93/57/09/388935709.db2.gz XQGBUJQPBXDSJN-CKIKVBCHSA-N 0 3 228.295 0.788 20 0 BCADHN COCCN(C)CCNC(=O)C1(C)CC1 ZINC000153311563 388961735 /nfs/dbraw/zinc/96/17/35/388961735.db2.gz NOAKAOCOOJTBNE-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN CC[C@]1(C)C[C@@H]1C(=O)NC[C@](C)(O)CN(C)C ZINC000153103776 388939527 /nfs/dbraw/zinc/93/95/27/388939527.db2.gz FBUVMBBAWNPBAK-RTXFEEFZSA-N 0 3 242.363 0.851 20 0 BCADHN COC[C@@H](C)CN[C@@H]1CNCCC1(F)F ZINC000565468212 388947961 /nfs/dbraw/zinc/94/79/61/388947961.db2.gz FSZLPXWWOXTSJR-DTWKUNHWSA-N 0 3 222.279 0.856 20 0 BCADHN CC[C@H](C(N)=O)N(C)CC(C)(C)OC ZINC000404213851 388953395 /nfs/dbraw/zinc/95/33/95/388953395.db2.gz AMJNNZYHDXYLHH-MRVPVSSYSA-N 0 3 202.298 0.607 20 0 BCADHN CC[C@@H]1CN(CCNC(=O)NC(C)C)C[C@@H]1O ZINC000565888752 388975576 /nfs/dbraw/zinc/97/55/76/388975576.db2.gz CTUQIUKKLVQSSM-MNOVXSKESA-N 0 3 243.351 0.397 20 0 BCADHN CC[C@@H](CCO)NC[C@@H](C)S(C)(=O)=O ZINC000565892056 388976105 /nfs/dbraw/zinc/97/61/05/388976105.db2.gz IIFUPQFIDXFLSO-BDAKNGLRSA-N 0 3 223.338 0.170 20 0 BCADHN CCn1ccc(C(=O)NC[C@H]2CCCN2C)n1 ZINC000565893326 388976923 /nfs/dbraw/zinc/97/69/23/388976923.db2.gz BQXXQKSVHNUOSG-SNVBAGLBSA-N 0 3 236.319 0.727 20 0 BCADHN C[C@H]1C[C@H](NC(=O)NCCN(C)C2CC2)CO1 ZINC000565888925 388977039 /nfs/dbraw/zinc/97/70/39/388977039.db2.gz DREIETKNTMVIOH-UWVGGRQHSA-N 0 3 241.335 0.557 20 0 BCADHN CN(CCCCO)Cc1ccc(C(N)=O)cc1 ZINC000263968187 388991806 /nfs/dbraw/zinc/99/18/06/388991806.db2.gz ACPPDVJRZSRXNG-UHFFFAOYSA-N 0 3 236.315 0.990 20 0 BCADHN Cc1ccc([C@@H](O)CN[C@H](C)CC(N)=O)o1 ZINC000267194359 388999205 /nfs/dbraw/zinc/99/92/05/388999205.db2.gz DTNMXLOGPQMYIJ-APPZFPTMSA-N 0 3 226.276 0.475 20 0 BCADHN C[C@H](CC(N)=O)NC[C@@](C)(O)c1ccsc1 ZINC000267296890 389000048 /nfs/dbraw/zinc/00/00/48/389000048.db2.gz ZKHXQHHYCCJFRF-LDYMZIIASA-N 0 3 242.344 0.809 20 0 BCADHN Cn1nncc1CNC[C@@](C)(O)c1ccccc1 ZINC000267546694 389000432 /nfs/dbraw/zinc/00/04/32/389000432.db2.gz ZUSDOLPDZCSMBT-CYBMUJFWSA-N 0 3 246.314 0.812 20 0 BCADHN Cc1cc(C)n(CCN2CC[C@](C)(O)C2)n1 ZINC000267379171 389001562 /nfs/dbraw/zinc/00/15/62/389001562.db2.gz UOCUPQFKNDVDOW-LBPRGKRZSA-N 0 3 223.320 0.957 20 0 BCADHN OCCCN(CCO)Cc1ccc(CO)cc1 ZINC000272356095 389030890 /nfs/dbraw/zinc/03/08/90/389030890.db2.gz RLMPVZFPOSGSJW-UHFFFAOYSA-N 0 3 239.315 0.356 20 0 BCADHN CC(C)(C)[C@@H](NCCn1ccnc1)C(N)=O ZINC000270817381 389014690 /nfs/dbraw/zinc/01/46/90/389014690.db2.gz ALZIJFYUMLBKOL-VIFPVBQESA-N 0 3 224.308 0.373 20 0 BCADHN C[C@@H](NCCn1cccn1)c1cn[nH]c1 ZINC000275144856 389054155 /nfs/dbraw/zinc/05/41/55/389054155.db2.gz FIXLQEDRPHRYGE-SECBINFHSA-N 0 3 205.265 0.957 20 0 BCADHN Cc1ccc(O)c(CN[C@@]2(CO)CCOC2)n1 ZINC000273350771 389039631 /nfs/dbraw/zinc/03/96/31/389039631.db2.gz AZLLFCCPWKRJSO-GFCCVEGCSA-N 0 3 238.287 0.337 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCC(=O)Nc1nccs1 ZINC000274053204 389044049 /nfs/dbraw/zinc/04/40/49/389044049.db2.gz PPALOVLIDPNUIL-JGVFFNPUSA-N 0 3 243.332 0.688 20 0 BCADHN CC(C)(N)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000335376008 136085551 /nfs/dbraw/zinc/08/55/51/136085551.db2.gz JDDDSYAORJPVMB-MRVPVSSYSA-N 0 3 214.309 0.798 20 0 BCADHN C[C@H](N)C(=O)N1CCOc2ccccc21 ZINC000040835438 132348562 /nfs/dbraw/zinc/34/85/62/132348562.db2.gz YOQKHZMPCUZZHJ-QMMMGPOBSA-N 0 3 206.245 0.759 20 0 BCADHN C[C@@H](C(=O)NCCO)N1[C@H](C)CC[C@@H]1C ZINC000305132795 533260163 /nfs/dbraw/zinc/26/01/63/533260163.db2.gz RVBKIUFFEFZWDJ-AEJSXWLSSA-N 0 3 214.309 0.356 20 0 BCADHN CO[C@@H](C(=O)N[C@@H]1CCN(C2CC2)C1)C1CC1 ZINC000471888987 533317677 /nfs/dbraw/zinc/31/76/77/533317677.db2.gz RZZJTLLLNGAKOF-ZYHUDNBSSA-N 0 3 238.331 0.764 20 0 BCADHN CO[C@@H]1CN(C[C@@H](O)CSC)C[C@@H]1OC ZINC000487975604 533475421 /nfs/dbraw/zinc/47/54/21/533475421.db2.gz SMBKQIZKOFUAJJ-BBBLOLIVSA-N 0 3 235.349 0.056 20 0 BCADHN CO[C@@H]1CN(C[C@H](O)CSC)C[C@@H]1OC ZINC000487975611 533476440 /nfs/dbraw/zinc/47/64/40/533476440.db2.gz SMBKQIZKOFUAJJ-LPEHRKFASA-N 0 3 235.349 0.056 20 0 BCADHN C[C@@H](O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000468622767 533576690 /nfs/dbraw/zinc/57/66/90/533576690.db2.gz SVNPEWUJIVLESO-HBNTYKKESA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H](O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000469258343 533577983 /nfs/dbraw/zinc/57/79/83/533577983.db2.gz SINNYWZWSJZZAD-YIZRAAEISA-N 0 3 212.293 0.109 20 0 BCADHN C[C@@H](O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000469381336 533570043 /nfs/dbraw/zinc/57/00/43/533570043.db2.gz MDGCONLVXJUDBI-AEJSXWLSSA-N 0 3 214.309 0.308 20 0 BCADHN C[C@@H](Cn1ccnc1)NC[C@H](O)C(F)(F)F ZINC000082680988 322825605 /nfs/dbraw/zinc/82/56/05/322825605.db2.gz IXDOAYOJSJQEFD-YUMQZZPRSA-N 0 3 237.225 0.784 20 0 BCADHN C[C@H](Cn1ccnc1)NC[C@@H](O)C(F)(F)F ZINC000082680991 322825665 /nfs/dbraw/zinc/82/56/65/322825665.db2.gz IXDOAYOJSJQEFD-HTQZYQBOSA-N 0 3 237.225 0.784 20 0 BCADHN C[C@@H](O)CN1CCCC[C@@H]1COC(=O)N(C)C ZINC000495792816 533664504 /nfs/dbraw/zinc/66/45/04/533664504.db2.gz JNZDLTRSUIAPFX-GHMZBOCLSA-N 0 3 244.335 0.920 20 0 BCADHN NC(=O)c1ccc(N2CCN3CCC[C@H]3C2)nc1 ZINC000264775938 132180616 /nfs/dbraw/zinc/18/06/16/132180616.db2.gz PWSQTNQASBPFGX-NSHDSACASA-N 0 3 246.314 0.465 20 0 BCADHN c1nc2c(ncnc2N2CCN(C3CC3)CC2)[nH]1 ZINC000049390338 132228627 /nfs/dbraw/zinc/22/86/27/132228627.db2.gz RFBKEUGLHDGSHC-UHFFFAOYSA-N 0 3 244.302 0.637 20 0 BCADHN Cc1nccc(N2CCNC(C)(C)C2)n1 ZINC000133190896 132237534 /nfs/dbraw/zinc/23/75/34/132237534.db2.gz BWAHWZOOESZASY-UHFFFAOYSA-N 0 3 206.293 0.973 20 0 BCADHN Cc1nc(N(C)C)nc(N2CCCCN2)n1 ZINC000329764031 132244744 /nfs/dbraw/zinc/24/47/44/132244744.db2.gz VGLXXDPSURTRBY-UHFFFAOYSA-N 0 3 222.296 0.351 20 0 BCADHN O=c1ccc(N2CCN(CC3CC3)CC2)n[nH]1 ZINC000360473008 132278701 /nfs/dbraw/zinc/27/87/01/132278701.db2.gz PAJYDFLYVFLDGX-UHFFFAOYSA-N 0 3 234.303 0.714 20 0 BCADHN c1cnc(N2CCC[C@@H](CNC3COC3)C2)nc1 ZINC000367910093 132323275 /nfs/dbraw/zinc/32/32/75/132323275.db2.gz IDVZJYXSTBFJBI-NSHDSACASA-N 0 3 248.330 0.681 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000050456938 132358872 /nfs/dbraw/zinc/35/88/72/132358872.db2.gz FDKPSOLHOBXWNA-WDEREUQCSA-N 0 3 246.314 0.077 20 0 BCADHN CC(C)COC1CCN(C(=O)[C@@H](C)N)CC1 ZINC000083907514 133565741 /nfs/dbraw/zinc/56/57/41/133565741.db2.gz FCYXIIRRIUPGTO-SNVBAGLBSA-N 0 3 228.336 0.997 20 0 BCADHN CCOCCNC[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894384593 583442422 /nfs/dbraw/zinc/44/24/22/583442422.db2.gz IBLIPOKZEOURPU-JGVFFNPUSA-N 0 3 237.246 0.667 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)N2CCOCC2)C1 ZINC000167365010 133968890 /nfs/dbraw/zinc/96/88/90/133968890.db2.gz YZPFKFNRBLXGRM-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H]1CN(CCc2ccnn2C)[C@@H](C)CN1C ZINC000335926121 134008754 /nfs/dbraw/zinc/00/87/54/134008754.db2.gz VZBWTOSHCIZWNE-NEPJUHHUSA-N 0 3 236.363 0.987 20 0 BCADHN C[C@H](CO)NC(=O)C12CCCN1CCC2 ZINC000335929678 134010051 /nfs/dbraw/zinc/01/00/51/134010051.db2.gz KRNOLWNAPQGCCX-SECBINFHSA-N 0 3 212.293 0.112 20 0 BCADHN CC[C@H]1CCCN1CC(=O)N1CCNC1=O ZINC000335934184 134011830 /nfs/dbraw/zinc/01/18/30/134011830.db2.gz YBDHKRCKVVXXPY-VIFPVBQESA-N 0 3 225.292 0.413 20 0 BCADHN COC(=O)CC1(CN(CCO)C[C@H](C)O)CC1 ZINC000351955951 134016709 /nfs/dbraw/zinc/01/67/09/134016709.db2.gz FSKFHHBZWNQZRL-JTQLQIEISA-N 0 3 245.319 0.005 20 0 BCADHN CCS(=O)(=O)N1CCCC12CCN(C)CC2 ZINC000335941796 134017595 /nfs/dbraw/zinc/01/75/95/134017595.db2.gz DPQDCEQBXYPBKQ-UHFFFAOYSA-N 0 3 246.376 0.896 20 0 BCADHN C[C@@H]1CN(CCCCO)[C@@H](C)CN1C ZINC000351958946 134017975 /nfs/dbraw/zinc/01/79/75/134017975.db2.gz MOAAXZBCCARZGL-MNOVXSKESA-N 0 3 200.326 0.783 20 0 BCADHN CCN1CCN(C(=O)[C@H]2CCCN2C)[C@H](C)C1 ZINC000335953737 134022540 /nfs/dbraw/zinc/02/25/40/134022540.db2.gz HHBHLTSUKMZUQN-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN CN(CC[C@H]1CCCO1)CCn1cncn1 ZINC000351978954 134025377 /nfs/dbraw/zinc/02/53/77/134025377.db2.gz DVODGVYXMQGTOJ-LLVKDONJSA-N 0 3 224.308 0.779 20 0 BCADHN Cc1ncsc1CN1[C@@H](CO)CC[C@H]1CO ZINC000351982635 134026006 /nfs/dbraw/zinc/02/60/06/134026006.db2.gz OHRBOYPXZJNPBZ-AOOOYVTPSA-N 0 3 242.344 0.769 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000335966045 134028003 /nfs/dbraw/zinc/02/80/03/134028003.db2.gz PEKRGFZNEXOHDN-YPMHNXCESA-N 0 3 240.347 0.558 20 0 BCADHN CC(C)OCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000335967547 134028354 /nfs/dbraw/zinc/02/83/54/134028354.db2.gz CVRUZZDRZXJYCT-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN Cn1cc(NC(=O)N[C@H]2CCN(C3CC3)C2)cn1 ZINC000335981416 134037675 /nfs/dbraw/zinc/03/76/75/134037675.db2.gz JZTWYNWJZLQHLV-VIFPVBQESA-N 0 3 249.318 0.778 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@@H](C)[C@@H](O)C1 ZINC000335997648 134042488 /nfs/dbraw/zinc/04/24/88/134042488.db2.gz FWOVZUQSKKHCCF-SKDRFNHKSA-N 0 3 223.320 0.931 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@H](C)[C@@H](O)C1 ZINC000335996809 134042930 /nfs/dbraw/zinc/04/29/30/134042930.db2.gz PFUMLIDHMRPYEU-KCJUWKMLSA-N 0 3 209.293 0.921 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H]1CO[C@@H](C)C1 ZINC000352043970 134045755 /nfs/dbraw/zinc/04/57/55/134045755.db2.gz CRJQLOYZXLFZLM-QWRGUYRKSA-N 0 3 244.335 0.106 20 0 BCADHN C[C@H](F)CCN(C)CCN1CCOCC1 ZINC000352050724 134046373 /nfs/dbraw/zinc/04/63/73/134046373.db2.gz UIJSKTVIRGTLFX-NSHDSACASA-N 0 3 218.316 0.999 20 0 BCADHN CO[C@H]1CCN(C(=O)C23CCCN2CCC3)C1 ZINC000336016592 134053290 /nfs/dbraw/zinc/05/32/90/134053290.db2.gz VCJOQBLLAUEXKT-NSHDSACASA-N 0 3 238.331 0.862 20 0 BCADHN C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)N1CCC1 ZINC000336025165 134056690 /nfs/dbraw/zinc/05/66/90/134056690.db2.gz RTOCNWJLXCFUEB-VHSXEESVSA-N 0 3 239.319 0.854 20 0 BCADHN CCCNC(=O)CN(C)CCCCOC ZINC000352102205 134067797 /nfs/dbraw/zinc/06/77/97/134067797.db2.gz JSMBUPITUHPCJB-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccon1 ZINC000352111299 134068621 /nfs/dbraw/zinc/06/86/21/134068621.db2.gz JXBSKFZXKVPPPG-LLVKDONJSA-N 0 3 241.291 0.107 20 0 BCADHN CNS(=O)(=O)N(C)CC[C@@H]1CCCCN1C ZINC000352118527 134074555 /nfs/dbraw/zinc/07/45/55/134074555.db2.gz UAWMYZSJOCYVAG-JTQLQIEISA-N 0 3 249.380 0.257 20 0 BCADHN CC[C@H](C)C(=O)NC[C@@](C)(O)CCN(C)C ZINC000352120799 134074640 /nfs/dbraw/zinc/07/46/40/134074640.db2.gz LBFKVFVFAIAVMI-JQWIXIFHSA-N 0 3 230.352 0.851 20 0 BCADHN COC(=O)[C@@]1(C)CCN([C@H]2CCCNC2=O)C1 ZINC000336086711 134076354 /nfs/dbraw/zinc/07/63/54/134076354.db2.gz QGBALNZSDCUOLW-CABZTGNLSA-N 0 3 240.303 0.150 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CC[C@@](C)(O)C1 ZINC000336090072 134077791 /nfs/dbraw/zinc/07/77/91/134077791.db2.gz FQZJNGXIMMNJEN-DGCLKSJQSA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)[C@@H]1CN([C@@H]2CCNC2=O)CCN1C ZINC000336092441 134078758 /nfs/dbraw/zinc/07/87/58/134078758.db2.gz XACMTNIWBJMABJ-MNOVXSKESA-N 0 3 225.336 0.147 20 0 BCADHN O=C(C[C@@H]1CCOC1)N[C@H]1CCN(C2CC2)C1 ZINC000352153833 134083361 /nfs/dbraw/zinc/08/33/61/134083361.db2.gz KBCMSVZLLFSAIG-QWRGUYRKSA-N 0 3 238.331 0.766 20 0 BCADHN CNC(=O)CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000336110243 134086340 /nfs/dbraw/zinc/08/63/40/134086340.db2.gz BOGFETXDCAMBLR-UWVGGRQHSA-N 0 3 212.293 0.091 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H](O)C12CCCC2 ZINC000336138930 134096915 /nfs/dbraw/zinc/09/69/15/134096915.db2.gz WKKIHFAAMBUATL-NSHDSACASA-N 0 3 240.347 0.890 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@@](C)(O)C2CC2)C1 ZINC000336141887 134100790 /nfs/dbraw/zinc/10/07/90/134100790.db2.gz LECNDCUPRDDAHS-AAEUAGOBSA-N 0 3 240.347 0.700 20 0 BCADHN CCCN1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000336156594 134105985 /nfs/dbraw/zinc/10/59/85/134105985.db2.gz IVRHKYDRXWJTFY-LLVKDONJSA-N 0 3 246.376 0.896 20 0 BCADHN CCN(C[C@@H](C)O)[C@H](C)C(=O)NC(C)(C)C ZINC000352220958 134108784 /nfs/dbraw/zinc/10/87/84/134108784.db2.gz KMHSGFGTDFCYEL-NXEZZACHSA-N 0 3 230.352 0.992 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CC[C@H](COC)C1 ZINC000352222360 134109738 /nfs/dbraw/zinc/10/97/38/134109738.db2.gz MZLKFASJEBEVEH-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CCN(C[C@H](C)O)[C@@H]1CCN(C2CC2)C1=O ZINC000352229318 134110820 /nfs/dbraw/zinc/11/08/20/134110820.db2.gz DYZZRZDSCYUXFF-GXSJLCMTSA-N 0 3 226.320 0.452 20 0 BCADHN Cn1cc(NC(=O)[C@H]2CCN2)cc(Cl)c1=O ZINC000336174906 134116455 /nfs/dbraw/zinc/11/64/55/134116455.db2.gz SXDVQTLEVDIALS-MRVPVSSYSA-N 0 3 241.678 0.339 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000352237087 134118060 /nfs/dbraw/zinc/11/80/60/134118060.db2.gz IYYMOKWMFVRKTR-KXUCPTDWSA-N 0 3 242.319 0.537 20 0 BCADHN CO[C@H](C)C(=O)N(C)CCN1CCCC1 ZINC000168682269 134241733 /nfs/dbraw/zinc/24/17/33/134241733.db2.gz VGJWEWWYTCNSEO-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CC(C)OC[C@H](O)CN1CCC[C@@H](CO)C1 ZINC000217538379 134248115 /nfs/dbraw/zinc/24/81/15/134248115.db2.gz GRIIGSXZEPNDQO-VXGBXAGGSA-N 0 3 231.336 0.477 20 0 BCADHN COc1cc(OC)nc(N[C@H](C)CN(C)C)n1 ZINC000168935485 134248811 /nfs/dbraw/zinc/24/88/11/134248811.db2.gz YZYXWFFIYYIIFB-MRVPVSSYSA-N 0 3 240.307 0.856 20 0 BCADHN C[C@H](N)C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000169809165 134251818 /nfs/dbraw/zinc/25/18/18/134251818.db2.gz FECISGQEKDKAGU-CMPLNLGQSA-N 0 3 233.315 0.507 20 0 BCADHN CCN(CC)CCNC(=O)C(=O)N1CCCC1 ZINC000170376537 134252664 /nfs/dbraw/zinc/25/26/64/134252664.db2.gz HGWGAVZSLKMGFP-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN CN(C)C(=O)CN1CC[C@@H](N2CCCC2)C1 ZINC000170713090 134253135 /nfs/dbraw/zinc/25/31/35/134253135.db2.gz MGESZNIWNVLSMI-LLVKDONJSA-N 0 3 225.336 0.245 20 0 BCADHN O=C([C@@H]1CCCOC1)N1CCN2CCC[C@H]2C1 ZINC000171299609 134256547 /nfs/dbraw/zinc/25/65/47/134256547.db2.gz MEULXQCPYRHQHW-NEPJUHHUSA-N 0 3 238.331 0.720 20 0 BCADHN COC(=O)[C@@H]1CCCN(CCCNC(C)=O)C1 ZINC000171059184 134257294 /nfs/dbraw/zinc/25/72/94/134257294.db2.gz RQQMQHRLHJEWIG-LLVKDONJSA-N 0 3 242.319 0.398 20 0 BCADHN CO[C@H](C)CC(=O)N1CCCN(C)CC1 ZINC000171533932 134258819 /nfs/dbraw/zinc/25/88/19/134258819.db2.gz CSKUDQLYXOBMPJ-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN C[Si](C)(C)CN1CCO[C@H](C(N)=O)C1 ZINC000171735533 134260410 /nfs/dbraw/zinc/26/04/10/134260410.db2.gz QJSROXBTTNSNBV-QMMMGPOBSA-N 0 3 216.357 0.050 20 0 BCADHN COC(=O)[C@@H](C)N1CCCN(C2CC2)CC1 ZINC000172810904 134270016 /nfs/dbraw/zinc/27/00/16/134270016.db2.gz LKFFMBAJBZZSGR-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)N(C)C ZINC000173246316 134273324 /nfs/dbraw/zinc/27/33/24/134273324.db2.gz PYDCZGRRDUOXRX-ZJUUUORDSA-N 0 3 249.380 0.065 20 0 BCADHN COCCN1CCC(N[C@@H](C)C(=O)OC)CC1 ZINC000173644143 134275869 /nfs/dbraw/zinc/27/58/69/134275869.db2.gz SBHKXRGSMNZGQE-JTQLQIEISA-N 0 3 244.335 0.248 20 0 BCADHN NS(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000173867442 134278208 /nfs/dbraw/zinc/27/82/08/134278208.db2.gz RBVRZODWXOQMRL-JTQLQIEISA-N 0 3 247.364 0.044 20 0 BCADHN COCCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000173891418 134278518 /nfs/dbraw/zinc/27/85/18/134278518.db2.gz AFOGWXQNPNAZHP-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN Cc1cnoc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000174664131 134282751 /nfs/dbraw/zinc/28/27/51/134282751.db2.gz RXCXFVTZFHQKJK-JTQLQIEISA-N 0 3 235.287 0.903 20 0 BCADHN Cn1ccnc(N2CCCN(C3CC3)CC2)c1=O ZINC000174708390 134283145 /nfs/dbraw/zinc/28/31/45/134283145.db2.gz CGVAGDHMBBVAKS-UHFFFAOYSA-N 0 3 248.330 0.455 20 0 BCADHN O=C1NCCCC[C@@H]1N1CCC[C@@H](O)C1 ZINC000219708138 134290291 /nfs/dbraw/zinc/29/02/91/134290291.db2.gz VDHDEFBVMMDBLY-ZJUUUORDSA-N 0 3 212.293 0.112 20 0 BCADHN CCOC[C@@H]1CCN([C@@H](C)C(=O)N(C)C)C1 ZINC000177038119 134294179 /nfs/dbraw/zinc/29/41/79/134294179.db2.gz XEGGLKCJCLBNPN-WDEREUQCSA-N 0 3 228.336 0.822 20 0 BCADHN CCNC(=O)NC(=O)CN(C)[C@H](C)C1(C)CC1 ZINC000177245997 134296576 /nfs/dbraw/zinc/29/65/76/134296576.db2.gz DORJFFZJNGLWMF-SECBINFHSA-N 0 3 241.335 0.953 20 0 BCADHN C[C@@H]1[C@@H](C)CCN1CC(=O)N1CCNC1=O ZINC000177871647 134303864 /nfs/dbraw/zinc/30/38/64/134303864.db2.gz YQMFNKTXPASMPJ-DTWKUNHWSA-N 0 3 225.292 0.269 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@@]1(F)CCNC1 ZINC000178459933 134307346 /nfs/dbraw/zinc/30/73/46/134307346.db2.gz UJODFSYQVRHCHF-WCBMZHEXSA-N 0 3 218.272 0.087 20 0 BCADHN C[C@@H]1CSCCN1C(=O)[C@@]1(F)CCNC1 ZINC000178561836 134308226 /nfs/dbraw/zinc/30/82/26/134308226.db2.gz AGQRGNXIXNTFTM-PSASIEDQSA-N 0 3 232.324 0.652 20 0 BCADHN C[C@H]1CSCCN1C(=O)[C@@]1(F)CCNC1 ZINC000178561846 134308531 /nfs/dbraw/zinc/30/85/31/134308531.db2.gz AGQRGNXIXNTFTM-WCBMZHEXSA-N 0 3 232.324 0.652 20 0 BCADHN CCO[C@H]1C[C@H]1C(=O)N1CCCNCC1 ZINC000178364142 134309194 /nfs/dbraw/zinc/30/91/94/134309194.db2.gz BVNOABCMSXELBV-ZJUUUORDSA-N 0 3 212.293 0.233 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCCN(C2CC2)CC1 ZINC000178747181 134310723 /nfs/dbraw/zinc/31/07/23/134310723.db2.gz BCSWSDVVEAKFEP-GFCCVEGCSA-N 0 3 239.363 0.811 20 0 BCADHN CC(C)[C@@H](C)C(=O)NC[C@](C)(O)CN(C)C ZINC000178732211 134310954 /nfs/dbraw/zinc/31/09/54/134310954.db2.gz GSMSHIYVWHRLDT-PWSUYJOCSA-N 0 3 230.352 0.707 20 0 BCADHN CN(Cc1cnccn1)C(=O)[C@H]1CCCCN1 ZINC000178741301 134311098 /nfs/dbraw/zinc/31/10/98/134311098.db2.gz BJSVTLNIPFZLGV-LLVKDONJSA-N 0 3 234.303 0.577 20 0 BCADHN CNCC(=O)NCc1nccn1CC(C)C ZINC000178809738 134315057 /nfs/dbraw/zinc/31/50/57/134315057.db2.gz ZNBMZHBKKOLHHK-UHFFFAOYSA-N 0 3 224.308 0.375 20 0 BCADHN COCCNCCNC(=O)[C@@H](C)C(C)C ZINC000179389440 134316368 /nfs/dbraw/zinc/31/63/68/134316368.db2.gz IVUBFTNUONNKJN-JTQLQIEISA-N 0 3 216.325 0.631 20 0 BCADHN C[C@@H]1CC(=O)N(CCN2CCCCC2)C1=O ZINC000179311777 134320088 /nfs/dbraw/zinc/32/00/88/134320088.db2.gz MRDNWTZDYDKREJ-SNVBAGLBSA-N 0 3 224.304 0.867 20 0 BCADHN OCCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179498891 134321257 /nfs/dbraw/zinc/32/12/57/134321257.db2.gz GUXOEPDTVSUDHI-JTQLQIEISA-N 0 3 236.319 0.854 20 0 BCADHN CNC(=O)CCN(C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000179525541 134321403 /nfs/dbraw/zinc/32/14/03/134321403.db2.gz DSKOJPSJMWIELJ-OCCSQVGLSA-N 0 3 248.326 0.713 20 0 BCADHN COC[C@H](O)CN1CCSC[C@H]1C ZINC000179608997 134322915 /nfs/dbraw/zinc/32/29/15/134322915.db2.gz PYBMFMLKSAHEGV-RKDXNWHRSA-N 0 3 205.323 0.431 20 0 BCADHN c1ncc(CN2CC[C@@H](N3CCOCC3)C2)[nH]1 ZINC000179845674 134324070 /nfs/dbraw/zinc/32/40/70/134324070.db2.gz VTEYDKMTACHQSM-GFCCVEGCSA-N 0 3 236.319 0.316 20 0 BCADHN CCNC(=O)NC(=O)CN(C(C)C)C(C)C ZINC000180448028 134327489 /nfs/dbraw/zinc/32/74/89/134327489.db2.gz MRSUEHGZNPQJMV-UHFFFAOYSA-N 0 3 229.324 0.951 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000223728336 134338940 /nfs/dbraw/zinc/33/89/40/134338940.db2.gz SWIVETAUORGWMF-JGVFFNPUSA-N 0 3 202.298 0.511 20 0 BCADHN CCCC[C@@H](N)C(=O)NC[C@@H](C)OC ZINC000223703825 134339278 /nfs/dbraw/zinc/33/92/78/134339278.db2.gz AMGCCGQIIUJYRY-RKDXNWHRSA-N 0 3 202.298 0.655 20 0 BCADHN CO[C@@H](C)CN1CCN(C[C@H](C)OC)CC1 ZINC000182015464 134341508 /nfs/dbraw/zinc/34/15/08/134341508.db2.gz KELFUBVSFISSBY-RYUDHWBXSA-N 0 3 230.352 0.674 20 0 BCADHN COC[C@@H](NC[C@@H](O)C(F)F)C1CC1 ZINC000224484937 134348088 /nfs/dbraw/zinc/34/80/88/134348088.db2.gz MRRCMPSDJDWTDH-HTQZYQBOSA-N 0 3 209.236 0.627 20 0 BCADHN C[C@@H]1CCCC[C@@H]1CN1CCO[C@H](C(N)=O)C1 ZINC000183029461 134350671 /nfs/dbraw/zinc/35/06/71/134350671.db2.gz CTMWJIHUISQBMK-UTUOFQBUSA-N 0 3 240.347 0.999 20 0 BCADHN CC(=O)NCCCN[C@H](CO)c1ccccc1 ZINC000183769441 134353979 /nfs/dbraw/zinc/35/39/79/134353979.db2.gz KJCOKARNKLKFRI-CYBMUJFWSA-N 0 3 236.315 0.836 20 0 BCADHN CCCC[C@@H](CCC)NC(=O)C(=O)NCCN ZINC000225926630 134357613 /nfs/dbraw/zinc/35/76/13/134357613.db2.gz DONTUXIWHSXYFX-SNVBAGLBSA-N 0 3 243.351 0.536 20 0 BCADHN C[C@H](O)CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000225959120 134357873 /nfs/dbraw/zinc/35/78/73/134357873.db2.gz PVVHJBBMCPYSAL-SRVKXCTJSA-N 0 3 212.337 0.926 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000226320462 134360555 /nfs/dbraw/zinc/36/05/55/134360555.db2.gz UZHONXNVVRPIQW-NKWVEPMBSA-N 0 3 242.241 0.399 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CCO[C@@H]1C ZINC000226443615 134363329 /nfs/dbraw/zinc/36/33/29/134363329.db2.gz OOIOHSPMPUPHEB-HLTSFMKQSA-N 0 3 221.322 0.187 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1nncn1CC ZINC000226391881 134365235 /nfs/dbraw/zinc/36/52/35/134365235.db2.gz CDRLANHJSOLDAS-SCZZXKLOSA-N 0 3 239.323 0.288 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@H](O)C(F)F ZINC000226575345 134366522 /nfs/dbraw/zinc/36/65/22/134366522.db2.gz WXGOUFMXKLWANI-QMMMGPOBSA-N 0 3 219.235 0.742 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@@H](O)C(F)F ZINC000226575339 134366750 /nfs/dbraw/zinc/36/67/50/134366750.db2.gz WXGOUFMXKLWANI-MRVPVSSYSA-N 0 3 219.235 0.742 20 0 BCADHN Cc1ccc(O)c(CNC[C@H](O)C(F)F)n1 ZINC000226577478 134366884 /nfs/dbraw/zinc/36/68/84/134366884.db2.gz RZXYLTGIQUUVTN-VIFPVBQESA-N 0 3 232.230 0.811 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000226696867 134368320 /nfs/dbraw/zinc/36/83/20/134368320.db2.gz PZUHJNRQMDCMSO-SCZZXKLOSA-N 0 3 224.308 0.960 20 0 BCADHN C[C@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)N(C)C ZINC000184843632 134369402 /nfs/dbraw/zinc/36/94/02/134369402.db2.gz GVDQADWSBBHOFS-GUBZILKMSA-N 0 3 241.335 0.097 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000226703546 134370271 /nfs/dbraw/zinc/37/02/71/134370271.db2.gz RSXKZGFVBURJAH-GUBZILKMSA-N 0 3 246.376 0.751 20 0 BCADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1(O)CCC1 ZINC000184781771 134370541 /nfs/dbraw/zinc/37/05/41/134370541.db2.gz APRKGFHSOHNHJT-GHMZBOCLSA-N 0 3 238.331 0.597 20 0 BCADHN Cc1nsc(NCCOCCN(C)C)n1 ZINC000226738225 134370806 /nfs/dbraw/zinc/37/08/06/134370806.db2.gz PICGEOHYQOKFJX-UHFFFAOYSA-N 0 3 230.337 0.837 20 0 BCADHN CCOCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000227525148 134382758 /nfs/dbraw/zinc/38/27/58/134382758.db2.gz BIRCOKSPMHASPI-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000227525117 134383004 /nfs/dbraw/zinc/38/30/04/134383004.db2.gz PBJDHPYGXPQQFV-WCBMZHEXSA-N 0 3 236.319 0.931 20 0 BCADHN CC(C)N(C)CC(=O)N1CCOC[C@@H]1C ZINC000063466577 134396551 /nfs/dbraw/zinc/39/65/51/134396551.db2.gz DNJGATNYRHXBDL-JTQLQIEISA-N 0 3 214.309 0.574 20 0 BCADHN C[C@]1(C(N)=O)CCCCN1C[C@@H]1CCCO1 ZINC000185883031 134398167 /nfs/dbraw/zinc/39/81/67/134398167.db2.gz XIHVMESCEQIIIV-CMPLNLGQSA-N 0 3 226.320 0.895 20 0 BCADHN CCCCN(C)CCNS(=O)(=O)CC ZINC000068783192 134399145 /nfs/dbraw/zinc/39/91/45/134399145.db2.gz VUPWDXJIDCYIKK-UHFFFAOYSA-N 0 3 222.354 0.658 20 0 BCADHN CC[C@H](CCO)CNC(=O)C(C)(C)N ZINC000087370093 134424907 /nfs/dbraw/zinc/42/49/07/134424907.db2.gz MLMIPWOIISLQJD-MRVPVSSYSA-N 0 3 202.298 0.249 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@@H]1CCSC1 ZINC000188482294 134525958 /nfs/dbraw/zinc/52/59/58/134525958.db2.gz JCVXDOZXNCWWQG-DTWKUNHWSA-N 0 3 216.350 0.948 20 0 BCADHN CS[C@@H](C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188802164 134537455 /nfs/dbraw/zinc/53/74/55/134537455.db2.gz DRULHVYNKBJSRV-BIIVOSGPSA-N 0 3 220.313 0.554 20 0 BCADHN CCN(C)C(=O)CN[C@@]1(C)CCO[C@@H]1C ZINC000233446308 134563483 /nfs/dbraw/zinc/56/34/83/134563483.db2.gz ACQPZPGTKRWRAL-KOLCDFICSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1cnc(C)s1 ZINC000234027211 134571901 /nfs/dbraw/zinc/57/19/01/134571901.db2.gz GBEQKGQAALTRDG-ZETCQYMHSA-N 0 3 249.361 0.467 20 0 BCADHN CC[C@@H](NC(=O)CNC)[C@H]1CCCO1 ZINC000193138258 134594974 /nfs/dbraw/zinc/59/49/74/134594974.db2.gz BDMKTMANJLVMOA-RKDXNWHRSA-N 0 3 200.282 0.280 20 0 BCADHN Cn1nncc1CN[C@H]1CCCC[C@H]1O ZINC000129764186 134613793 /nfs/dbraw/zinc/61/37/93/134613793.db2.gz FMPVQTHWGULLIE-VHSXEESVSA-N 0 3 210.281 0.208 20 0 BCADHN CCN1CCC(NC(=O)CC(C)(C)O)CC1 ZINC000408283529 134672415 /nfs/dbraw/zinc/67/24/15/134672415.db2.gz LKJZYHYKFACUMJ-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN COC(C)(C)CNC(=O)[C@H](N)C(C)C ZINC000133419489 134681848 /nfs/dbraw/zinc/68/18/48/134681848.db2.gz JLWOWKLXLSYZDY-MRVPVSSYSA-N 0 3 202.298 0.511 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@H]1CCCO1)N(C)C ZINC000155209747 134687314 /nfs/dbraw/zinc/68/73/14/134687314.db2.gz MCDAVFNBZFQAMY-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CCO[C@@H]1C ZINC000134540744 134713675 /nfs/dbraw/zinc/71/36/75/134713675.db2.gz ZFGDMWVRAYZKRL-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN Cc1cc(CN[C@@H]2CO[C@H](C)C2)n(C)n1 ZINC000335425914 134848905 /nfs/dbraw/zinc/84/89/05/134848905.db2.gz MSBJUTIHFUXILR-ZJUUUORDSA-N 0 3 209.293 0.996 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@@]2(CCOC2)C1 ZINC000246501889 134951029 /nfs/dbraw/zinc/95/10/29/134951029.db2.gz SEDAFEUVWYRWNX-ZYHUDNBSSA-N 0 3 226.320 0.576 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1C[C@H](C)OC ZINC000248426487 135008582 /nfs/dbraw/zinc/00/85/82/135008582.db2.gz OIMVBRMZOKDMSZ-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1CC[C@H](C)N(CC(=O)NC(N)=O)C1 ZINC000076149638 135013049 /nfs/dbraw/zinc/01/30/49/135013049.db2.gz RZTVXMWGKZOBAW-SFYZADRCSA-N 0 3 213.281 0.302 20 0 BCADHN CO[C@@H](C)CN1CCCC[C@]1(C)C(N)=O ZINC000248624322 135017668 /nfs/dbraw/zinc/01/76/68/135017668.db2.gz UPKORXIEHSZWJN-GXSJLCMTSA-N 0 3 214.309 0.751 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000248640207 135017743 /nfs/dbraw/zinc/01/77/43/135017743.db2.gz NHWTXZPIPHFTBC-NWDGAFQWSA-N 0 3 240.347 0.463 20 0 BCADHN CN(CCN(C)C1CC1)C[C@@H](O)C(F)(F)F ZINC000248700674 135019300 /nfs/dbraw/zinc/01/93/00/135019300.db2.gz KWYRUJKJLKEGDD-SECBINFHSA-N 0 3 240.269 0.936 20 0 BCADHN O=C1NC(=O)[C@@]2(CCCN([C@H]3C=CCCC3)C2)N1 ZINC000248674433 135019378 /nfs/dbraw/zinc/01/93/78/135019378.db2.gz IDXRHPZLFNZADJ-GWCFXTLKSA-N 0 3 249.314 0.769 20 0 BCADHN CCS(=O)(=O)C(C)C(=O)NCC(F)(F)F ZINC000076211409 135019468 /nfs/dbraw/zinc/01/94/68/135019468.db2.gz LGUYIYYIQLBPIN-RXMQYKEDSA-N 0 3 247.238 0.488 20 0 BCADHN C[C@@H]1CN(CCN2CCC[C@@H](CO)C2)CCO1 ZINC000248986688 135029566 /nfs/dbraw/zinc/02/95/66/135029566.db2.gz FDYJVGUZEXYUHB-CHWSQXEVSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@@H]1COCCN1CCN1CC[C@@H](CO)C1 ZINC000249014336 135029960 /nfs/dbraw/zinc/02/99/60/135029960.db2.gz JCNPDUBXRKYLQN-VXGBXAGGSA-N 0 3 228.336 0.021 20 0 BCADHN CO[C@H](C)CN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000249062908 135032224 /nfs/dbraw/zinc/03/22/24/135032224.db2.gz IFUFEYUXBCEQOQ-GMTAPVOTSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@H]1CN(Cc2cccc(C(N)=O)c2)CC[C@H]1O ZINC000249116253 135033903 /nfs/dbraw/zinc/03/39/03/135033903.db2.gz FJOUHERAEXGIAO-GXFFZTMASA-N 0 3 248.326 0.988 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@@H](C)[C@H]1CO ZINC000249127441 135034654 /nfs/dbraw/zinc/03/46/54/135034654.db2.gz VEHJNRZDEBJUPU-BXKDBHETSA-N 0 3 223.320 0.931 20 0 BCADHN CC[C@H](O)CN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000249214774 135036339 /nfs/dbraw/zinc/03/63/39/135036339.db2.gz DLLPYSNWHZOEOK-UTUOFQBUSA-N 0 3 230.352 0.144 20 0 BCADHN C[C@H]1CN(C[C@H]2CCCO2)CCN1CCO ZINC000249562077 135041507 /nfs/dbraw/zinc/04/15/07/135041507.db2.gz LWDCRXKNEPMUAS-NWDGAFQWSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@H](O)CN(C)CCO[C@H]1CCCCO1 ZINC000249728336 135044243 /nfs/dbraw/zinc/04/42/43/135044243.db2.gz VKKDZLFNSYOIOX-QWRGUYRKSA-N 0 3 217.309 0.842 20 0 BCADHN CC(C)OC[C@@H](O)CN(C)C[C@H]1CCCO1 ZINC000250592004 135056004 /nfs/dbraw/zinc/05/60/04/135056004.db2.gz UDNGXJSUUPRSRA-NWDGAFQWSA-N 0 3 231.336 0.883 20 0 BCADHN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCCNCC1 ZINC000251100354 135064379 /nfs/dbraw/zinc/06/43/79/135064379.db2.gz JWHLUTHNRJXVPB-URLYPYJESA-N 0 3 208.305 0.854 20 0 BCADHN CNC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000251163710 135064970 /nfs/dbraw/zinc/06/49/70/135064970.db2.gz NKISBHQJXFUVLF-SZEHBUNVSA-N 0 3 212.293 0.136 20 0 BCADHN CNC(=O)CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000251169907 135065241 /nfs/dbraw/zinc/06/52/41/135065241.db2.gz OHWKBIJYVZJPLP-JMJZKYOTSA-N 0 3 226.320 0.526 20 0 BCADHN CCS(=O)(=O)NCCN(C(C)C)C1CC1 ZINC000077390734 135066542 /nfs/dbraw/zinc/06/65/42/135066542.db2.gz ZZAZNGQLKVZYLK-UHFFFAOYSA-N 0 3 234.365 0.799 20 0 BCADHN CNCC(=O)NCc1ccc(-n2cncn2)cc1 ZINC000237246757 135070108 /nfs/dbraw/zinc/07/01/08/135070108.db2.gz MQVHZBHEBFCJDN-UHFFFAOYSA-N 0 3 245.286 0.103 20 0 BCADHN CNCC(=O)NCc1cccc(OC)c1OC ZINC000237241380 135070817 /nfs/dbraw/zinc/07/08/17/135070817.db2.gz IIKUHSAEHUQCDM-UHFFFAOYSA-N 0 3 238.287 0.539 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@@]1(C)CCCCN1 ZINC000163701872 135072991 /nfs/dbraw/zinc/07/29/91/135072991.db2.gz QJFDYNLDXUSOPR-CMPLNLGQSA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)OC[C@H](O)CN1CC[C@@H](O)[C@H](C)C1 ZINC000252006011 135082444 /nfs/dbraw/zinc/08/24/44/135082444.db2.gz ZVMRZTBXAOKHBU-IJLUTSLNSA-N 0 3 231.336 0.475 20 0 BCADHN O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn[n-]1 ZINC000252674839 135096069 /nfs/dbraw/zinc/09/60/69/135096069.db2.gz UOKKTTNDAMNVOA-IUCAKERBSA-N 0 3 235.291 0.161 20 0 BCADHN O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cnn[n-]1 ZINC000252674839 135096071 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135098100 /nfs/dbraw/zinc/09/81/00/135098100.db2.gz QNZPWXJCQPYHLP-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000252715719 135101657 /nfs/dbraw/zinc/10/16/57/135101657.db2.gz WMYYIMAPDXATAP-UTLUCORTSA-N 0 3 212.293 0.137 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCO[C@H]1C ZINC000252728551 135102168 /nfs/dbraw/zinc/10/21/68/135102168.db2.gz BWQLJQYLOMNYEQ-GUBZILKMSA-N 0 3 235.349 0.577 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@@H](C)[C@H](C)CO ZINC000252867687 135114274 /nfs/dbraw/zinc/11/42/74/135114274.db2.gz RSTYYAQONFBJTL-UTLUCORTSA-N 0 3 216.325 0.508 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@]1(C)CCCO1 ZINC000087254103 135115259 /nfs/dbraw/zinc/11/52/59/135115259.db2.gz USTHRSBKGAXGJL-ONGXEEELSA-N 0 3 246.376 0.752 20 0 BCADHN C[C@]1(CNC(=O)[C@@H]2CCCCN2)CCCO1 ZINC000087254049 135115455 /nfs/dbraw/zinc/11/54/55/135115455.db2.gz SWCTXGVKTXSVRF-CMPLNLGQSA-N 0 3 226.320 0.814 20 0 BCADHN CN(CC(=O)N1CCC1)[C@@H]1CCCC[C@H]1O ZINC000252917692 135116304 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Cc1nnc(C(=O)N[C@H](C)CN(C)C)s1 ZINC000342453099 135275864 /nfs/dbraw/zinc/27/58/64/135275864.db2.gz UUKIQCWCXGJTLN-ZCFIWIBFSA-N 0 3 228.321 0.526 20 0 BCADHN CCc1nc(CNC[C@@H]2CNCCO2)cs1 ZINC000262173338 135283966 /nfs/dbraw/zinc/28/39/66/135283966.db2.gz HXPMRBYXXRXVFB-JTQLQIEISA-N 0 3 241.360 0.784 20 0 BCADHN CCc1nc(CNC(=O)[C@@H](CN)OC)cs1 ZINC000262188346 135284781 /nfs/dbraw/zinc/28/47/81/135284781.db2.gz JJHXVFAGUZQNAX-MRVPVSSYSA-N 0 3 243.332 0.295 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@](C)(O)C2CC2)CCCN1C ZINC000342575701 135291118 /nfs/dbraw/zinc/29/11/18/135291118.db2.gz TYQBCKUOYNDXLU-CDMKHQONSA-N 0 3 240.347 0.746 20 0 BCADHN Nc1ccc(NC(=O)C2(N)CCCC2)cn1 ZINC000262461296 135300590 /nfs/dbraw/zinc/30/05/90/135300590.db2.gz WEJCLFGERZLJHC-UHFFFAOYSA-N 0 3 220.276 0.874 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000262462152 135300627 /nfs/dbraw/zinc/30/06/27/135300627.db2.gz KGZQSAVTFAMELR-IWSPIJDZSA-N 0 3 226.320 0.653 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)[C@@H]1CCCCN1 ZINC000262481358 135301966 /nfs/dbraw/zinc/30/19/66/135301966.db2.gz RYKUPQFKDGXQPS-DCAQKATOSA-N 0 3 228.336 0.652 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N(C)CC[C@@H]1CCCO1 ZINC000342604629 135302076 /nfs/dbraw/zinc/30/20/76/135302076.db2.gz NIXOXQUDFPQNAX-BDAKNGLRSA-N 0 3 243.307 0.071 20 0 BCADHN CC[C@H](C(N)=O)N(C)CC[C@@H]1CCCO1 ZINC000342609889 135303200 /nfs/dbraw/zinc/30/32/00/135303200.db2.gz WKBZHWMPMYAXHO-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN CS[C@@H]1CN(c2nnc(C)o2)C[C@@H]1N(C)C ZINC000342696450 135306036 /nfs/dbraw/zinc/30/60/36/135306036.db2.gz BBPGEMSSXSKNBV-DTWKUNHWSA-N 0 3 242.348 0.860 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)[C@H](O)Cc1ccccc1 ZINC000262570901 135306167 /nfs/dbraw/zinc/30/61/67/135306167.db2.gz MZDLMUIAHJHEFX-JBLDHEPKSA-N 0 3 236.315 0.442 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)N)[C@H](O)Cc1ccccc1 ZINC000262570897 135306225 /nfs/dbraw/zinc/30/62/25/135306225.db2.gz MZDLMUIAHJHEFX-HOSYDEDBSA-N 0 3 236.315 0.442 20 0 BCADHN 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ZINC000334337569 135357222 /nfs/dbraw/zinc/35/72/22/135357222.db2.gz WEPDSVYTSIPQMG-GFCCVEGCSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@H](CO)NC(=O)C1CCN(C)CC1 ZINC000343130353 135359172 /nfs/dbraw/zinc/35/91/72/135359172.db2.gz RCOIQHKMKVTOBZ-SNVBAGLBSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343133772 135359923 /nfs/dbraw/zinc/35/99/23/135359923.db2.gz RHOPYMHFWKNUBY-WOPDTQHZSA-N 0 3 237.347 0.149 20 0 BCADHN CCn1cc(CNC(=O)Cc2nc[nH]c2C)cn1 ZINC000343132469 135360115 /nfs/dbraw/zinc/36/01/15/135360115.db2.gz MKTRCVHFHMKCMG-UHFFFAOYSA-N 0 3 247.302 0.793 20 0 BCADHN CCN1C[C@H](C)[C@H](NCc2nnc3n2CCC3)C1 ZINC000343156308 135362696 /nfs/dbraw/zinc/36/26/96/135362696.db2.gz BFTPUFFGUVWPEF-WDEREUQCSA-N 0 3 249.362 0.654 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCc1nnc2n1CCC2 ZINC000343159244 135363672 /nfs/dbraw/zinc/36/36/72/135363672.db2.gz PDAYKZXMHXMCNP-ZJUUUORDSA-N 0 3 235.335 0.264 20 0 BCADHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)CO ZINC000334371274 135375251 /nfs/dbraw/zinc/37/52/51/135375251.db2.gz WXVGVJXGLHBADN-UWVGGRQHSA-N 0 3 212.293 0.064 20 0 BCADHN C[C@H]1CCN(CCN2CCOCC2)C[C@H]1O ZINC000299891477 135380661 /nfs/dbraw/zinc/38/06/61/135380661.db2.gz UOGYBFLMKXJSJG-NWDGAFQWSA-N 0 3 228.336 0.021 20 0 BCADHN Cn1nccc1NC(=O)[C@H]1CCCCCN1 ZINC000080999377 135385366 /nfs/dbraw/zinc/38/53/66/135385366.db2.gz HHQFLQJXDNANLY-SECBINFHSA-N 0 3 222.292 0.891 20 0 BCADHN C[C@@H]1CN(C2CCN(CCO)CC2)CCO1 ZINC000081671484 135388837 /nfs/dbraw/zinc/38/88/37/135388837.db2.gz LVTNSNNHUNDHPE-LLVKDONJSA-N 0 3 228.336 0.164 20 0 BCADHN CCCCNC(=O)[C@H](C)N(C)CC(C)(C)O ZINC000081747556 135389218 /nfs/dbraw/zinc/38/92/18/135389218.db2.gz DKOMMINJUIRISH-JTQLQIEISA-N 0 3 230.352 0.994 20 0 BCADHN O=C(Nc1nccs1)[C@@]1(F)CCNC1 ZINC000307738891 135397220 /nfs/dbraw/zinc/39/72/20/135397220.db2.gz XQNIFAODXQMSPQ-MRVPVSSYSA-N 0 3 215.253 0.783 20 0 BCADHN C[C@@H]1[C@H](C)N(CCc2cnn(C)c2)CCN1C ZINC000334426638 135397858 /nfs/dbraw/zinc/39/78/58/135397858.db2.gz 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220.276 0.195 20 0 BCADHN Cc1ccc2nc(CNC(=O)[C@@H]3C[C@@H]3N)cn2c1 ZINC000335283936 136001652 /nfs/dbraw/zinc/00/16/52/136001652.db2.gz WHOHMRQZFLEGQP-MNOVXSKESA-N 0 3 244.298 0.606 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@H](OC)C1 ZINC000347653342 136001809 /nfs/dbraw/zinc/00/18/09/136001809.db2.gz MFFDZDPLUFVMJM-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCc2ccsc2C1 ZINC000335284401 136002157 /nfs/dbraw/zinc/00/21/57/136002157.db2.gz AXZQDVKJIBZVAI-DTWKUNHWSA-N 0 3 222.313 0.980 20 0 BCADHN CCC[C@](C)(O)CNC(=O)C1CCN(C)CC1 ZINC000347723118 136003473 /nfs/dbraw/zinc/00/34/73/136003473.db2.gz MMZQXBAAGQQNKS-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](OC)C(=O)NC[C@H]1CCCN1C ZINC000347729990 136003910 /nfs/dbraw/zinc/00/39/10/136003910.db2.gz ACSRNFSBWDXBCX-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CCN1C[C@@H](C)N(CC(=O)OC)[C@H](C)C1 ZINC000347688527 136005188 /nfs/dbraw/zinc/00/51/88/136005188.db2.gz KNWJVXDTUKJLHM-NXEZZACHSA-N 0 3 214.309 0.574 20 0 BCADHN 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ZINC000382407680 397947083 /nfs/dbraw/zinc/94/70/83/397947083.db2.gz SNJFTONGWMPDBU-NXEZZACHSA-N 0 3 216.325 0.868 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3CCC3)[C@@H]2C1 ZINC000644815558 397947217 /nfs/dbraw/zinc/94/72/17/397947217.db2.gz PSLVXMIUTPIWJQ-GHMZBOCLSA-N 0 3 208.305 0.949 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@](CC)(CO)C1 ZINC000187608022 397951635 /nfs/dbraw/zinc/95/16/35/397951635.db2.gz XSKVIWGIVCKXFF-CMPLNLGQSA-N 0 3 228.336 0.735 20 0 BCADHN C[C@H](O)[C@@H]1CCCN(C[C@@H]2CCC(=O)N2)C1 ZINC000649566669 397955135 /nfs/dbraw/zinc/95/51/35/397955135.db2.gz TURUAXGVEDPYJR-AXFHLTTASA-N 0 3 226.320 0.358 20 0 BCADHN CC(C)c1nc([C@@H](C)N[C@H](C)CC(N)=O)n[nH]1 ZINC000271434759 397967939 /nfs/dbraw/zinc/96/79/39/397967939.db2.gz DROASUGHLCKIGM-HTQZYQBOSA-N 0 3 239.323 0.843 20 0 BCADHN CCCn1nccc1CNC[C@](C)(O)COC ZINC000382560614 397957780 /nfs/dbraw/zinc/95/77/80/397957780.db2.gz KTZOJYOHQOAFHA-LBPRGKRZSA-N 0 3 241.335 0.780 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@@H](OC)C1CC1 ZINC000340488478 397958295 /nfs/dbraw/zinc/95/82/95/397958295.db2.gz OPIYIPAIRGGBFZ-MWLCHTKSSA-N 0 3 249.376 0.824 20 0 BCADHN CCN1C[C@@H](C)N(C[C@@H]2CCC(=O)N2)C[C@@H]1C ZINC000649571151 397961999 /nfs/dbraw/zinc/96/19/99/397961999.db2.gz ATZUFPMBQZEKCU-TUAOUCFPSA-N 0 3 239.363 0.680 20 0 BCADHN CCS(=O)(=O)NCCN(C)CC1CCC1 ZINC000111295859 397906682 /nfs/dbraw/zinc/90/66/82/397906682.db2.gz AQTVEWATSWASNW-UHFFFAOYSA-N 0 3 234.365 0.658 20 0 BCADHN CCN1CCCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC000153614798 397920722 /nfs/dbraw/zinc/92/07/22/397920722.db2.gz LGOIYZZICSOJQO-UHFFFAOYSA-N 0 3 249.314 0.543 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1C[C@@H]1CCC(=O)N1 ZINC000649572629 397964406 /nfs/dbraw/zinc/96/44/06/397964406.db2.gz CREREICEMBALPU-AXFHLTTASA-N 0 3 225.336 0.289 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C[C@H]2CCOC2)C1 ZINC000644814429 397925586 /nfs/dbraw/zinc/92/55/86/397925586.db2.gz KPYMTCGXBZQADD-WOPDTQHZSA-N 0 3 238.331 0.576 20 0 BCADHN COC(=O)CCN1CCN(C)[C@@H](C(C)C)C1 ZINC000261021585 397990319 /nfs/dbraw/zinc/99/03/19/397990319.db2.gz DESPLQXPUPCIJG-LLVKDONJSA-N 0 3 228.336 0.822 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCc1nccs1 ZINC000382952455 397991047 /nfs/dbraw/zinc/99/10/47/397991047.db2.gz MBGUZCYCUXZYEB-MRVPVSSYSA-N 0 3 239.344 0.942 20 0 BCADHN C[C@H](CNC(=O)c1ccc(F)cn1)N(C)C ZINC000273094856 397991225 /nfs/dbraw/zinc/99/12/25/397991225.db2.gz JLZPNHPIHUGNDG-MRVPVSSYSA-N 0 3 225.267 0.901 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(F)cn1)N(C)C ZINC000273094859 397991234 /nfs/dbraw/zinc/99/12/34/397991234.db2.gz JLZPNHPIHUGNDG-QMMMGPOBSA-N 0 3 225.267 0.901 20 0 BCADHN CN1CCC[C@@H]1CN1CCOC[C@@]12CCOC2 ZINC000649599778 397991397 /nfs/dbraw/zinc/99/13/97/397991397.db2.gz NWBXZPIOJCSYCD-OLZOCXBDSA-N 0 3 240.347 0.572 20 0 BCADHN CCN[C@H](C)C(=O)N(CC)C[C@H]1CCOC1 ZINC000637929448 398044334 /nfs/dbraw/zinc/04/43/34/398044334.db2.gz AMUYJBXIKMEYRF-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN O=S1(=O)CCC[C@@H]1CNCC1(O)CCCC1 ZINC000087971301 397993534 /nfs/dbraw/zinc/99/35/34/397993534.db2.gz CLPOWWXEJKDZQC-SNVBAGLBSA-N 0 3 247.360 0.458 20 0 BCADHN Cn1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000644818012 397997114 /nfs/dbraw/zinc/99/71/14/397997114.db2.gz MBRWTSPEUSFSPD-PWSUYJOCSA-N 0 3 233.315 0.801 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)Cc2ccco2)C1 ZINC000644818038 397997277 /nfs/dbraw/zinc/99/72/77/397997277.db2.gz KPPJXKWGQLVOET-JQWIXIFHSA-N 0 3 234.299 0.985 20 0 BCADHN COC(=O)CCCN1CC[C@H](O)[C@H](C)C1 ZINC000164630624 397999724 /nfs/dbraw/zinc/99/97/24/397999724.db2.gz SUBMZYJDRXVKPG-ZJUUUORDSA-N 0 3 215.293 0.642 20 0 BCADHN Cn1ccc(CNCC(C)(C)CCO)n1 ZINC000164974380 398001332 /nfs/dbraw/zinc/00/13/32/398001332.db2.gz VFDDYWXNUGOOLQ-UHFFFAOYSA-N 0 3 211.309 0.918 20 0 BCADHN CO[C@H]1CCN(C[C@@H]2CCC(=O)N2)C[C@H]1C ZINC000649621730 398005315 /nfs/dbraw/zinc/00/53/15/398005315.db2.gz KSMXDPICSQMHEQ-VWYCJHECSA-N 0 3 226.320 0.622 20 0 BCADHN CCOc1ccc(CN[C@@H]2COC[C@@H]2O)cc1 ZINC000323584771 398010894 /nfs/dbraw/zinc/01/08/94/398010894.db2.gz WHJBXMDMHISANB-OLZOCXBDSA-N 0 3 237.299 0.935 20 0 BCADHN NC1(C(=O)NCCOC[C@@H]2CCOC2)CCC1 ZINC000645960731 398013928 /nfs/dbraw/zinc/01/39/28/398013928.db2.gz LLZADDDCHIZIBM-SNVBAGLBSA-N 0 3 242.319 0.037 20 0 BCADHN C[C@H](CO)CN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000650279043 398047176 /nfs/dbraw/zinc/04/71/76/398047176.db2.gz PEMOZKPGXSNZEU-QWRGUYRKSA-N 0 3 243.351 0.350 20 0 BCADHN C[C@@H](Cn1ccnc1)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000275492609 398021307 /nfs/dbraw/zinc/02/13/07/398021307.db2.gz BEMSKWHMWYCYBE-LPEHRKFASA-N 0 3 240.282 0.088 20 0 BCADHN CN1CCC[C@@H](CNC(=O)NCCF)C1 ZINC000555893374 398022701 /nfs/dbraw/zinc/02/27/01/398022701.db2.gz QBXYZPVZRXMOIG-VIFPVBQESA-N 0 3 217.288 0.597 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000054073697 398024764 /nfs/dbraw/zinc/02/47/64/398024764.db2.gz FAOLDPSDUUUNOK-VIFPVBQESA-N 0 3 245.286 0.814 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000054073256 398025235 /nfs/dbraw/zinc/02/52/35/398025235.db2.gz ZMIUHNOFZNMEDD-QMMMGPOBSA-N 0 3 246.274 0.209 20 0 BCADHN CO[C@@H](CNC(=O)[C@@]1(F)CCNC1)C(C)(C)C ZINC000376203350 398026379 /nfs/dbraw/zinc/02/63/79/398026379.db2.gz MSECSTRHPAOMQP-JOYOIKCWSA-N 0 3 246.326 0.865 20 0 BCADHN O=C1CC[C@@H](CN2CCC(C3(O)CC3)CC2)N1 ZINC000649670509 398032034 /nfs/dbraw/zinc/03/20/34/398032034.db2.gz OLAMFLOBZZPPCK-NSHDSACASA-N 0 3 238.331 0.502 20 0 BCADHN CC(=O)NCCCN1CCC(C2(O)CC2)CC1 ZINC000649671514 398032561 /nfs/dbraw/zinc/03/25/61/398032561.db2.gz YYJLBRVGLYRRRA-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN CN(C)C1CN(c2cc(N3CCCC3)ncn2)C1 ZINC000277763326 398033201 /nfs/dbraw/zinc/03/32/01/398033201.db2.gz KQTASOFDCFXYFG-UHFFFAOYSA-N 0 3 247.346 0.827 20 0 BCADHN Cn1c(CNC(=O)CN)nc2ccccc21 ZINC000083908945 398035734 /nfs/dbraw/zinc/03/57/34/398035734.db2.gz HPBJAIPAYHHCDE-UHFFFAOYSA-N 0 3 218.260 0.148 20 0 BCADHN CCC[C@H](C)N1CCN(CCN(C)C)C(=O)C1 ZINC000649685239 398035645 /nfs/dbraw/zinc/03/56/45/398035645.db2.gz TYANTGVQVVZUNL-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CC(C)=CCN1CCN(CCN(C)C)C(=O)C1 ZINC000649685073 398035690 /nfs/dbraw/zinc/03/56/90/398035690.db2.gz MWHFVFOIEIEQLO-UHFFFAOYSA-N 0 3 239.363 0.658 20 0 BCADHN CC(C)N1CCN(CCN(C)C)C(=O)C1 ZINC000649688572 398036719 /nfs/dbraw/zinc/03/67/19/398036719.db2.gz HNBKVKJSGGTPDP-UHFFFAOYSA-N 0 3 213.325 0.101 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cccn3C)[C@@H]2C1 ZINC000644821850 398038767 /nfs/dbraw/zinc/03/87/67/398038767.db2.gz HNSDKFQZXMIDNX-ZYHUDNBSSA-N 0 3 233.315 0.801 20 0 BCADHN CCc1cccc(CN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278607464 398040511 /nfs/dbraw/zinc/04/05/11/398040511.db2.gz FHGYPBCYOUZZOH-BETUJISGSA-N 0 3 221.300 0.786 20 0 BCADHN CN(C)c1nccc(CNC[C@H](O)C2CC2)n1 ZINC000361041499 397970816 /nfs/dbraw/zinc/97/08/16/397970816.db2.gz FWUSXQSCXOCJFU-NSHDSACASA-N 0 3 236.319 0.403 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCc1cc2n(n1)CCC2 ZINC000649585036 397973354 /nfs/dbraw/zinc/97/33/54/397973354.db2.gz KGGFNHLQHQLDSY-VHSXEESVSA-N 0 3 223.320 0.936 20 0 BCADHN C[C@@H](CO)N(C)CCN1CCCOCC1 ZINC000361323725 397974484 /nfs/dbraw/zinc/97/44/84/397974484.db2.gz IQMYEPZMBOSWHQ-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H](OC)[C@@H](C)C1 ZINC000451546604 397975076 /nfs/dbraw/zinc/97/50/76/397975076.db2.gz PUNYXZGBKLIERT-WDEREUQCSA-N 0 3 228.336 0.822 20 0 BCADHN CC[C@H](N[C@@H]1CCCC[C@@H]1C(=O)OC)C(N)=O ZINC000451585528 397977591 /nfs/dbraw/zinc/97/75/91/397977591.db2.gz CACKRKZWKWJQRB-LPEHRKFASA-N 0 3 242.319 0.572 20 0 BCADHN C[C@H](CSCCF)N[C@H]1CCNC1=O ZINC000595054974 397980540 /nfs/dbraw/zinc/98/05/40/397980540.db2.gz XVTJHUHXWQRPCT-SFYZADRCSA-N 0 3 220.313 0.556 20 0 BCADHN CO[C@H]1CN(C[C@@H]2CCC(=O)N2)CC[C@@H]1C ZINC000649592060 397986229 /nfs/dbraw/zinc/98/62/29/397986229.db2.gz SRYCFLSBRZWZPY-DCAQKATOSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@@H]1CCN(C[C@@H]2CCC(=O)N2)[C@H](C)C1 ZINC000649600052 397987582 /nfs/dbraw/zinc/98/75/82/397987582.db2.gz WEBVLNVQSOMMSG-OUAUKWLOSA-N 0 3 226.320 0.764 20 0 BCADHN Cc1[nH]cnc1CC(=O)NC[C@@H]1CCCCO1 ZINC000279292909 398044066 /nfs/dbraw/zinc/04/40/66/398044066.db2.gz YHTGYQXCAMDGGQ-JTQLQIEISA-N 0 3 237.303 0.946 20 0 BCADHN CCn1cc(NC(=O)/C=C\CN(C)C)cn1 ZINC000491685053 398060821 /nfs/dbraw/zinc/06/08/21/398060821.db2.gz JMTVMZAHJNQCAF-WAYWQWQTSA-N 0 3 222.292 0.959 20 0 BCADHN CC[C@](C)(CN1CCN(C[C@@H](C)O)CC1)OC ZINC000638025875 398062747 /nfs/dbraw/zinc/06/27/47/398062747.db2.gz JNYZUAIROADUOB-CHWSQXEVSA-N 0 3 244.379 0.800 20 0 BCADHN CC[C@@](C)(CN1CCN(C[C@H](C)O)CC1)OC ZINC000638025878 398063410 /nfs/dbraw/zinc/06/34/10/398063410.db2.gz JNYZUAIROADUOB-STQMWFEESA-N 0 3 244.379 0.800 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)C(=O)c1ccc[nH]1 ZINC000623062540 398064084 /nfs/dbraw/zinc/06/40/84/398064084.db2.gz SHDVGOQAOYZNHP-YUMQZZPRSA-N 0 3 239.250 0.014 20 0 BCADHN CC[C@@H](C(N)=O)n1cc([C@@](C)(N)CC)nn1 ZINC000384167637 398067969 /nfs/dbraw/zinc/06/79/69/398067969.db2.gz LUZOPTFLAYKNGW-XVKPBYJWSA-N 0 3 225.296 0.298 20 0 BCADHN CNC(=O)CCCNCc1snnc1C ZINC000384137619 398068849 /nfs/dbraw/zinc/06/88/49/398068849.db2.gz CHVFGSUGFRMRKI-UHFFFAOYSA-N 0 3 228.321 0.462 20 0 BCADHN CCOCCn1cc([C@@](C)(N)CC)nn1 ZINC000384170217 398069057 /nfs/dbraw/zinc/06/90/57/398069057.db2.gz MQNXCMCFLRLXTP-JTQLQIEISA-N 0 3 212.297 0.899 20 0 BCADHN COc1cc(C)ccc1CNC[C@](C)(O)CO ZINC000649732580 398072343 /nfs/dbraw/zinc/07/23/43/398072343.db2.gz QBGCMGWMOUTHLQ-ZDUSSCGKSA-N 0 3 239.315 0.837 20 0 BCADHN Cc1cc(CNC[C@](C)(O)CO)cs1 ZINC000389309284 398072755 /nfs/dbraw/zinc/07/27/55/398072755.db2.gz OLJFARGVUATXJW-JTQLQIEISA-N 0 3 215.318 0.889 20 0 BCADHN COC[C@@]1(C)CCN([C@@H]2CCCN(C)C2=O)C1 ZINC000649765623 398093686 /nfs/dbraw/zinc/09/36/86/398093686.db2.gz OAKBFJLFGKZHDB-YPMHNXCESA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2noc(C)n2)nn1 ZINC000384195731 398073291 /nfs/dbraw/zinc/07/32/91/398073291.db2.gz JFFNEVOHPBHITP-SNVBAGLBSA-N 0 3 236.279 0.602 20 0 BCADHN CCN(C)C(=O)Cn1cc([C@@](C)(N)CC)nn1 ZINC000384197161 398073401 /nfs/dbraw/zinc/07/34/01/398073401.db2.gz JXXOAZNBEOBCJC-NSHDSACASA-N 0 3 239.323 0.340 20 0 BCADHN CC[C@@](C)(N)c1cn(CC(=O)NC2CC2)nn1 ZINC000384196012 398073982 /nfs/dbraw/zinc/07/39/82/398073982.db2.gz JIMFHZZXTZIRFE-LLVKDONJSA-N 0 3 237.307 0.141 20 0 BCADHN COCC[C@@H](C)NC(=O)/C=C\CN(C)C ZINC000491883639 398075468 /nfs/dbraw/zinc/07/54/68/398075468.db2.gz LDNPLWIYZYMZHH-WWQCOOJYSA-N 0 3 214.309 0.645 20 0 BCADHN CCCNC(=O)CCNC(=O)/C=C\CN(C)C ZINC000491852096 398075644 /nfs/dbraw/zinc/07/56/44/398075644.db2.gz SPLPTPQCXBYETQ-WAYWQWQTSA-N 0 3 241.335 0.137 20 0 BCADHN CSC[C@@H](C)NC(=O)/C=C\CN(C)C ZINC000491905178 398076696 /nfs/dbraw/zinc/07/66/96/398076696.db2.gz MCEFDYFCXFWXRK-SSJHQANKSA-N 0 3 216.350 0.972 20 0 BCADHN CCOCCN1C[C@H](O)C[C@H]1COC ZINC000649741885 398080327 /nfs/dbraw/zinc/08/03/27/398080327.db2.gz HXDCIPMTXKHUEQ-VHSXEESVSA-N 0 3 203.282 0.105 20 0 BCADHN COc1ccc(O)cc1C(=O)NCCN(C)C ZINC000186976167 398080651 /nfs/dbraw/zinc/08/06/51/398080651.db2.gz LPCKLSMEJZYJGJ-UHFFFAOYSA-N 0 3 238.287 0.692 20 0 BCADHN Cc1nnc(NC(=O)CNCC2CC2)n1C ZINC000646539877 398081060 /nfs/dbraw/zinc/08/10/60/398081060.db2.gz QDYLKKXMOJCQMK-UHFFFAOYSA-N 0 3 223.280 0.062 20 0 BCADHN CCN(CCN1CCNC1=O)[C@@H]1CCCOC1 ZINC000649755349 398086126 /nfs/dbraw/zinc/08/61/26/398086126.db2.gz LYQVSUNZHKQINX-LLVKDONJSA-N 0 3 241.335 0.513 20 0 BCADHN CCN(CCn1cncn1)[C@@H]1CCCOC1 ZINC000649755746 398086418 /nfs/dbraw/zinc/08/64/18/398086418.db2.gz WSUTVTQQPMTXLF-LLVKDONJSA-N 0 3 224.308 0.779 20 0 BCADHN CNC(=O)CCNCc1cccc(F)c1N ZINC000638443771 398087715 /nfs/dbraw/zinc/08/77/15/398087715.db2.gz SKZVEFIYWUXMHH-UHFFFAOYSA-N 0 3 225.267 0.634 20 0 BCADHN Cc1cn[nH]c1CN1CC[C@H](N2CCCC2=O)C1 ZINC000291578351 398095791 /nfs/dbraw/zinc/09/57/91/398095791.db2.gz OONFRHVVLHTOBJ-NSHDSACASA-N 0 3 248.330 0.915 20 0 BCADHN CCCCOCCN1C[C@H](O)C[C@@H]1COC ZINC000649761838 398089125 /nfs/dbraw/zinc/08/91/25/398089125.db2.gz NHSMAPSITDHPFK-VXGBXAGGSA-N 0 3 231.336 0.885 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCCc1cn[nH]c1 ZINC000291205989 398090965 /nfs/dbraw/zinc/09/09/65/398090965.db2.gz JXWGZIUYMPDYDD-VIFPVBQESA-N 0 3 239.323 0.202 20 0 BCADHN CC[C@H](O)CC(=O)N1CCNC(C)(C)C1 ZINC000582826036 398051269 /nfs/dbraw/zinc/05/12/69/398051269.db2.gz DOVGWKLLQLFFKM-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000389217516 398051911 /nfs/dbraw/zinc/05/19/11/398051911.db2.gz LEWJIGHDVZZKPC-IUCAKERBSA-N 0 3 200.282 0.280 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1C[C@@H]1CC[C@H](C)O1 ZINC000649764015 398091710 /nfs/dbraw/zinc/09/17/10/398091710.db2.gz NSWWNWIDXVWTBP-QCNOEVLYSA-N 0 3 229.320 0.636 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2ccccn2)C1 ZINC000280201230 398054319 /nfs/dbraw/zinc/05/43/19/398054319.db2.gz IBKXWYCYFHVNLL-LBPRGKRZSA-N 0 3 219.288 0.779 20 0 BCADHN CN1CCC(NC(=O)c2cccc(N)n2)CC1 ZINC000051070605 398054353 /nfs/dbraw/zinc/05/43/53/398054353.db2.gz LNSOHVVRCVFTRZ-UHFFFAOYSA-N 0 3 234.303 0.488 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2ccc(CO)o2)C1 ZINC000280203513 398055518 /nfs/dbraw/zinc/05/55/18/398055518.db2.gz IDSCSZZNLXPONG-LBPRGKRZSA-N 0 3 238.287 0.469 20 0 BCADHN CC(C)[C@@H]1CNCCN1C(=O)Cc1ccn[nH]1 ZINC000638490798 398100140 /nfs/dbraw/zinc/10/01/40/398100140.db2.gz YFUGFSLMTOADEJ-NSHDSACASA-N 0 3 236.319 0.409 20 0 BCADHN C[C@@H](CO)C1CCN(C[C@H]2COCCO2)CC1 ZINC000649797506 398105500 /nfs/dbraw/zinc/10/55/00/398105500.db2.gz BUUQLXGCBRUCCS-AAEUAGOBSA-N 0 3 243.347 0.742 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCN2)[C@H](C)O1 ZINC000384564767 398097188 /nfs/dbraw/zinc/09/71/88/398097188.db2.gz IGBCNSDBSQAYEY-RCWTZXSCSA-N 0 3 226.320 0.811 20 0 BCADHN CC[C@H](N)C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000236912772 398117184 /nfs/dbraw/zinc/11/71/84/398117184.db2.gz SNBRLCANBHUBIH-NHCYSSNCSA-N 0 3 228.336 0.781 20 0 BCADHN CN(C)S(=O)(=O)CCNC1(C2CCC2)CC1 ZINC000649811039 398117848 /nfs/dbraw/zinc/11/78/48/398117848.db2.gz CLULJRCWXCAMOY-UHFFFAOYSA-N 0 3 246.376 0.800 20 0 BCADHN CCC[C@H](N)C(=O)Nc1cc(C)n(C)n1 ZINC000236932277 398118431 /nfs/dbraw/zinc/11/84/31/398118431.db2.gz UDRQWHAEDAHHSD-QMMMGPOBSA-N 0 3 210.281 0.794 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3CC(C)(O)C3)[C@@H]2C1 ZINC000650323000 398111964 /nfs/dbraw/zinc/11/19/64/398111964.db2.gz ZMYIVWBLUMIVLV-YLXHPXFOSA-N 0 3 238.331 0.310 20 0 BCADHN Cc1cccc(CS(=O)(=O)NC2CNC2)c1 ZINC000237641225 398112920 /nfs/dbraw/zinc/11/29/20/398112920.db2.gz ZYLRXNBOOPHHQI-UHFFFAOYSA-N 0 3 240.328 0.386 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC([C@H](C)CO)CC1 ZINC000649806649 398113329 /nfs/dbraw/zinc/11/33/29/398113329.db2.gz ZWKAPWVWCLUYIR-GHMZBOCLSA-N 0 3 242.363 0.804 20 0 BCADHN O=C(CNC1(C2CCC2)CC1)Nc1ccon1 ZINC000649806213 398113438 /nfs/dbraw/zinc/11/34/38/398113438.db2.gz PAGUQPUFGONGMW-UHFFFAOYSA-N 0 3 235.287 0.957 20 0 BCADHN Cc1cc(=NC(=O)[C@@H]2CCN(C)[C@@H]2C)[nH][nH]1 ZINC000649209727 398129524 /nfs/dbraw/zinc/12/95/24/398129524.db2.gz JBJBQKDHMAONDV-RKDXNWHRSA-N 0 3 222.292 0.419 20 0 BCADHN CCCc1nnc(NC(=O)[C@H](C)N)s1 ZINC000261530033 398123554 /nfs/dbraw/zinc/12/35/54/398123554.db2.gz XGXLQDHHPMSMNK-YFKPBYRVSA-N 0 3 214.294 0.776 20 0 BCADHN Cn1cncc1CC(=O)NC[C@@H]1CCCN1C ZINC000547863553 398133370 /nfs/dbraw/zinc/13/33/70/398133370.db2.gz YFXRULBLKDYTHC-JTQLQIEISA-N 0 3 236.319 0.173 20 0 BCADHN CC(C)NC(=O)CCN(C)[C@H]1CCOC1 ZINC000106884384 167039170 /nfs/dbraw/zinc/03/91/70/167039170.db2.gz OFPWNIQXJALQSU-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)NC(=O)CCN1CCCOCC1 ZINC000363378059 167039259 /nfs/dbraw/zinc/03/92/59/167039259.db2.gz OVHHBPPVVJJOEG-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CC(C)NC(=O)CN(C)C(=O)[C@@H]1CCCCN1 ZINC000037801290 167046073 /nfs/dbraw/zinc/04/60/73/167046073.db2.gz YNLDNDDVXUXIKE-JTQLQIEISA-N 0 3 241.335 0.112 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CCCCCO ZINC000303971345 173298608 /nfs/dbraw/zinc/29/86/08/173298608.db2.gz DKRTUCKUXVXAKU-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN CNC(=O)[C@H](C)N[C@H](C)[C@@]1(C)CCCO1 ZINC000340393751 173303347 /nfs/dbraw/zinc/30/33/47/173303347.db2.gz 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226.320 0.764 20 0 BCADHN CC(C)NCC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000037821592 167097017 /nfs/dbraw/zinc/09/70/17/167097017.db2.gz IBLATEUIWDFNCV-VHSXEESVSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@H]([NH3+])C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000309452250 487558263 /nfs/dbraw/zinc/55/82/63/487558263.db2.gz MVDJHOXUFXXUHU-LURJTMIESA-N 0 3 249.723 0.361 20 0 BCADHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CC(F)C1 ZINC000680282404 487558334 /nfs/dbraw/zinc/55/83/34/487558334.db2.gz UVTYVFFNNZFNEI-NSHDSACASA-N 0 3 241.310 0.834 20 0 BCADHN CC(C)OC(=O)CCN1CCC(O)CC1 ZINC000304251099 167152245 /nfs/dbraw/zinc/15/22/45/167152245.db2.gz QCQYPUHJIRCDMF-UHFFFAOYSA-N 0 3 215.293 0.785 20 0 BCADHN CN(C)CCOCCNC(=O)[C@@H]1CC12CCC2 ZINC000680319073 487560298 /nfs/dbraw/zinc/56/02/98/487560298.db2.gz CFEBMRRDQXZREV-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN CC(C)[C@](C)(CO)NCC(=O)Nc1ccon1 ZINC000685598555 487562022 /nfs/dbraw/zinc/56/20/22/487562022.db2.gz RRNJZDSLSCQMNA-NSHDSACASA-N 0 3 241.291 0.610 20 0 BCADHN CCn1nccc1CNCC[C@@]1(O)CCOC1 ZINC000404197924 487563155 /nfs/dbraw/zinc/56/31/55/487563155.db2.gz GLARPKQIONXJFC-GFCCVEGCSA-N 0 3 239.319 0.534 20 0 BCADHN CC(C)OC(=O)CCN1C[C@@H](O)C[C@H]1C ZINC000340906302 167157447 /nfs/dbraw/zinc/15/74/47/167157447.db2.gz KXHSOOUTWQZILL-ZJUUUORDSA-N 0 3 215.293 0.783 20 0 BCADHN CC(C)OC(=O)CCN1C[C@@H](O)C2(CC2)C1 ZINC000372298387 167157660 /nfs/dbraw/zinc/15/76/60/167157660.db2.gz YYJVFADHMMAYKU-SNVBAGLBSA-N 0 3 227.304 0.785 20 0 BCADHN CC(C)OC(=O)CCNC(=O)[C@@H](N)C(C)C ZINC000353500253 167157699 /nfs/dbraw/zinc/15/76/99/167157699.db2.gz IBXZQVQOXQZOPQ-JTQLQIEISA-N 0 3 230.308 0.428 20 0 BCADHN Cn1cc(CNCC[C@@]2(O)CCOC2)cn1 ZINC000404186365 487563707 /nfs/dbraw/zinc/56/37/07/487563707.db2.gz JJWNFEAZKIVVRY-LLVKDONJSA-N 0 3 225.292 0.051 20 0 BCADHN NC1(C(=O)NCCCn2ccnc2)CCC1 ZINC000088050202 322886801 /nfs/dbraw/zinc/88/68/01/322886801.db2.gz DMRIVCMZYKXWEM-UHFFFAOYSA-N 0 3 222.292 0.271 20 0 BCADHN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1cn[nH]c1 ZINC000669574485 487564269 /nfs/dbraw/zinc/56/42/69/487564269.db2.gz PXJGYGHKDFOATJ-WDEREUQCSA-N 0 3 238.335 0.297 20 0 BCADHN C[C@H]1CN(Cc2cn[nH]c2)[C@@H](C)CN1CCO ZINC000669574484 487564208 /nfs/dbraw/zinc/56/42/08/487564208.db2.gz PXJGYGHKDFOATJ-QWRGUYRKSA-N 0 3 238.335 0.297 20 0 BCADHN NC(=O)c1ccc(N[C@@H]2CCN(C3CC3)C2)nn1 ZINC000095010854 487566573 /nfs/dbraw/zinc/56/65/73/487566573.db2.gz GCCMMBMZTIOIOG-MRVPVSSYSA-N 0 3 247.302 0.224 20 0 BCADHN CCn1cc(CNC(=O)C2(N)CCCC2)nn1 ZINC000404446762 487568220 /nfs/dbraw/zinc/56/82/20/487568220.db2.gz AQVINIFSBMFBKO-UHFFFAOYSA-N 0 3 237.307 0.186 20 0 BCADHN Cc1ccccc1CN1C[C@H](O)C[C@H](O)C1 ZINC000674465319 487581333 /nfs/dbraw/zinc/58/13/33/487581333.db2.gz MONOOLVMIJJJMQ-BETUJISGSA-N 0 3 221.300 0.923 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@H]1COC ZINC000674468762 487584263 /nfs/dbraw/zinc/58/42/63/487584263.db2.gz CTSAKUOKYXXMIM-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN COC[C@H](NCC(=O)Nc1ccon1)C(C)C ZINC000680396355 487584735 /nfs/dbraw/zinc/58/47/35/487584735.db2.gz LBIWELNRGXPVPK-VIFPVBQESA-N 0 3 241.291 0.874 20 0 BCADHN CC(C)OCC[C@@H](O)CN1CC[C@@H](O)C1 ZINC000330986108 167250165 /nfs/dbraw/zinc/25/01/65/167250165.db2.gz ISEMCZYBWUFLJE-GHMZBOCLSA-N 0 3 217.309 0.229 20 0 BCADHN Cc1ncsc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388986 487587107 /nfs/dbraw/zinc/58/71/07/487587107.db2.gz FKDLRILXEFZQQZ-HTQZYQBOSA-N 0 3 243.307 0.963 20 0 BCADHN CC(C)OC[C@@H](C)N[C@H](CO)[C@@H]1CCCO1 ZINC000336747063 167259461 /nfs/dbraw/zinc/25/94/61/167259461.db2.gz RTKCSYTVRBALIA-UTUOFQBUSA-N 0 3 231.336 0.929 20 0 BCADHN CC(C)OC[C@@H](O)CN1CC([C@@H]2CCOC2)C1 ZINC000366491913 167260482 /nfs/dbraw/zinc/26/04/82/167260482.db2.gz LNYRXWMYMMKVBQ-YPMHNXCESA-N 0 3 243.347 0.741 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCOCC2(CC2)C1 ZINC000360088484 167261887 /nfs/dbraw/zinc/26/18/87/167261887.db2.gz LNKNBLOERYEWHG-LBPRGKRZSA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCC(O)CC1 ZINC000070186655 167261962 /nfs/dbraw/zinc/26/19/62/167261962.db2.gz MIHIEEITHVOPQW-NSHDSACASA-N 0 3 217.309 0.229 20 0 BCADHN CC(C)OC[C@H](C)NC[C@@H]1CN(C)CCN1C ZINC000337346119 167265381 /nfs/dbraw/zinc/26/53/81/167265381.db2.gz VUYIEMPJUIZNOB-QWHCGFSZSA-N 0 3 243.395 0.635 20 0 BCADHN CC(C)OC[C@H](O)CN1CCN(C)[C@@H](C)[C@H]1C ZINC000356977292 167268826 /nfs/dbraw/zinc/26/88/26/167268826.db2.gz MFWWHKSNAHSBHR-YNEHKIRRSA-N 0 3 244.379 0.797 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCCCN1C ZINC000082303081 487590761 /nfs/dbraw/zinc/59/07/61/487590761.db2.gz HIJCGCHIPNZZHV-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN CN(C)CCNC(=O)c1ccnc2ccnn21 ZINC000082303164 487591219 /nfs/dbraw/zinc/59/12/19/487591219.db2.gz ZFBOMMFEJNPYQU-UHFFFAOYSA-N 0 3 233.275 0.021 20 0 BCADHN C[C@H](N[C@H]1CS[C@H](C)C1)C(=O)N(C)C ZINC000086934888 487591936 /nfs/dbraw/zinc/59/19/36/487591936.db2.gz YXFHOMBMMSNLIJ-HRDYMLBCSA-N 0 3 216.350 0.947 20 0 BCADHN CCN1CC[C@H](N[C@@H]2COCC2(C)C)C1=O ZINC000660737557 487592304 /nfs/dbraw/zinc/59/23/04/487592304.db2.gz NVTVXNBJOUKUBI-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN C1COC[C@@H](N2CCN3CCOC[C@H]3C2)C1 ZINC000680430216 487592832 /nfs/dbraw/zinc/59/28/32/487592832.db2.gz SKXALRVGPFUZSI-NWDGAFQWSA-N 0 3 226.320 0.182 20 0 BCADHN NC1(C(=O)N[C@@H]2CCSC2)CCCC1 ZINC000225490155 487605093 /nfs/dbraw/zinc/60/50/93/487605093.db2.gz NXHJDRLLVUSYME-MRVPVSSYSA-N 0 3 214.334 0.880 20 0 BCADHN NC1(C(=O)N[C@H]2CCSC2)CCCC1 ZINC000225490193 487605441 /nfs/dbraw/zinc/60/54/41/487605441.db2.gz NXHJDRLLVUSYME-QMMMGPOBSA-N 0 3 214.334 0.880 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccc(CC(N)=O)cc1 ZINC000677965237 487606362 /nfs/dbraw/zinc/60/63/62/487606362.db2.gz SNINEDPNTAZCPO-VIFPVBQESA-N 0 3 249.314 0.068 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CCS[C@@H]1C ZINC000306245915 487607294 /nfs/dbraw/zinc/60/72/94/487607294.db2.gz ZXFKNKKURVLWCB-XLPZGREQSA-N 0 3 202.323 0.605 20 0 BCADHN CC(C)SCCN1CC[C@@](O)(C(N)=O)C1 ZINC000367572812 167327244 /nfs/dbraw/zinc/32/72/44/167327244.db2.gz PWDSAEOWUBVDJW-JTQLQIEISA-N 0 3 232.349 0.050 20 0 BCADHN CCn1ccc(NC(=O)[C@@H](N)C(C)C)n1 ZINC000300841288 487609632 /nfs/dbraw/zinc/60/96/32/487609632.db2.gz FIFYOESPAQKLCO-VIFPVBQESA-N 0 3 210.281 0.825 20 0 BCADHN CCNC(=O)CNC1(CCO)CCCC1 ZINC000660679592 409526545 /nfs/dbraw/zinc/52/65/45/409526545.db2.gz DJTLFRHSEJLVMB-UHFFFAOYSA-N 0 3 214.309 0.407 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](C)N)[C@H](CC)CO1 ZINC000403871896 409568954 /nfs/dbraw/zinc/56/89/54/409568954.db2.gz RTXULCDQGXTTPC-OPRDCNLKSA-N 0 3 214.309 0.750 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000668274666 487609718 /nfs/dbraw/zinc/60/97/18/487609718.db2.gz JAXOKXUJCXNYHA-IRCOFANPSA-N 0 3 227.304 0.557 20 0 BCADHN CO[C@@H]1C[C@H](N[C@@H]2CCCNC2=O)C12CCC2 ZINC000308390853 409577336 /nfs/dbraw/zinc/57/73/36/409577336.db2.gz JQIQSJGYWCLJCY-OUAUKWLOSA-N 0 3 238.331 0.812 20 0 BCADHN CCO[C@H]1CCN(CCOCCO)C[C@H]1C ZINC000660721519 409647229 /nfs/dbraw/zinc/64/72/29/409647229.db2.gz XJQKRCMUZFJIKF-NEPJUHHUSA-N 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0.994 20 0 BCADHN Cc1nnsc1CN[C@H](C)[C@@H](C)CO ZINC000308588068 410722214 /nfs/dbraw/zinc/72/22/14/410722214.db2.gz TWIJATHFJNEGOR-NKWVEPMBSA-N 0 3 215.322 0.953 20 0 BCADHN CCC[C@H](CNCC(=O)NC1CC1)OC ZINC000393501968 410724179 /nfs/dbraw/zinc/72/41/79/410724179.db2.gz SUJQUVJBYCSODS-SNVBAGLBSA-N 0 3 214.309 0.670 20 0 BCADHN C[C@H](CNc1nccn2nnnc12)N(C)C1CC1 ZINC000530903252 410736874 /nfs/dbraw/zinc/73/68/74/410736874.db2.gz QIRVMMNQFSINPL-MRVPVSSYSA-N 0 3 247.306 0.414 20 0 BCADHN CCNC(=O)C(C)(C)NCCC(C)(C)O ZINC000313074554 410737288 /nfs/dbraw/zinc/73/72/88/410737288.db2.gz MNJJNJHTLQGNAD-UHFFFAOYSA-N 0 3 216.325 0.652 20 0 BCADHN CCn1ccc(CC(=O)NCCN(C)C)n1 ZINC000650988322 410678287 /nfs/dbraw/zinc/67/82/87/410678287.db2.gz ADJSWQSKZXOCQT-UHFFFAOYSA-N 0 3 224.308 0.123 20 0 BCADHN CCC(C)(C)N1CCN(C(=O)[C@@H](C)N)CC1 ZINC000655493169 410817034 /nfs/dbraw/zinc/81/70/34/410817034.db2.gz DEBGJUVKQGMMQJ-SNVBAGLBSA-N 0 3 227.352 0.666 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)[C@@H](C)CCO ZINC000651098922 410803703 /nfs/dbraw/zinc/80/37/03/410803703.db2.gz MJPZNPFYZQVRHP-UWVGGRQHSA-N 0 3 231.340 0.349 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC1(COC)CC1 ZINC000655489883 410806103 /nfs/dbraw/zinc/80/61/03/410806103.db2.gz ACROENIVFBYJDT-ZJUUUORDSA-N 0 3 228.336 0.903 20 0 BCADHN COCC1(CNC(=O)[C@@H]2C[C@H](C)CCN2)CC1 ZINC000655490529 410808386 /nfs/dbraw/zinc/80/83/86/410808386.db2.gz MUULFAZVJVOUKF-MNOVXSKESA-N 0 3 240.347 0.917 20 0 BCADHN CN1C[C@H]2CCN(Cc3nccc(N)n3)[C@H]2C1 ZINC000644732063 410808566 /nfs/dbraw/zinc/80/85/66/410808566.db2.gz DWAPJZSYPHNKRV-ZJUUUORDSA-N 0 3 233.319 0.195 20 0 BCADHN COCC1(CNC(=O)[C@H](N)C(C)C)CC1 ZINC000655490924 410809967 /nfs/dbraw/zinc/80/99/67/410809967.db2.gz WPQGUUBENRINDR-SECBINFHSA-N 0 3 214.309 0.513 20 0 BCADHN COCC1(CNC(=O)[C@H]2CCCCN2)CC1 ZINC000655490878 410810201 /nfs/dbraw/zinc/81/02/01/410810201.db2.gz VEQXBXSOMAEFPX-SNVBAGLBSA-N 0 3 226.320 0.671 20 0 BCADHN C[C@@H](NCC[C@H]1CCNC1=O)c1cnn(C)c1 ZINC000395958698 410868063 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/nfs/dbraw/zinc/04/26/11/167042611.db2.gz XEHSIBUIXRVBBS-UHFFFAOYSA-N 0 3 241.335 0.289 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@@H]1CCO ZINC000336677562 167052252 /nfs/dbraw/zinc/05/22/52/167052252.db2.gz HWYDMOQXYWQSLO-SNVBAGLBSA-N 0 3 214.309 0.358 20 0 BCADHN CC(C)NC(=O)CN(CCO)[C@H]1CC[C@@H](C)C1 ZINC000331151576 167052310 /nfs/dbraw/zinc/05/23/10/167052310.db2.gz CAIBQOIMGPRCDC-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)NC(=O)CN1C[C@H](C)[C@H](CO)C1 ZINC000362087875 167054567 /nfs/dbraw/zinc/05/45/67/167054567.db2.gz NXNNHAXMXUIFQO-UWVGGRQHSA-N 0 3 214.309 0.071 20 0 BCADHN CC(C)NCC(=O)N1CCCO[C@@H](C)C1 ZINC000061920419 167095030 /nfs/dbraw/zinc/09/50/30/167095030.db2.gz SVMCAYMMBPYECN-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)NCC(=O)N(C)C1CCOCC1 ZINC000037477199 167095926 /nfs/dbraw/zinc/09/59/26/167095926.db2.gz FYGIRZOEJFHILW-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)NCC(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000037821591 167096575 /nfs/dbraw/zinc/09/65/75/167096575.db2.gz IBLATEUIWDFNCV-NXEZZACHSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)NCC(=O)N1CCO[C@@H](C)C1 ZINC000037395552 167096683 /nfs/dbraw/zinc/09/66/83/167096683.db2.gz AEDCVDRSEVSQAU-VIFPVBQESA-N 0 3 200.282 0.232 20 0 BCADHN CC(C)NCC(=O)NC1CCOCC1 ZINC000037477198 167096885 /nfs/dbraw/zinc/09/68/85/167096885.db2.gz HAFMIIORQAPRPJ-UHFFFAOYSA-N 0 3 200.282 0.280 20 0 BCADHN Cc1nccc(C(=O)N2CCN[C@@H](C)[C@H]2C)n1 ZINC000396918017 410908338 /nfs/dbraw/zinc/90/83/38/410908338.db2.gz MEQJEQWBGGDMRT-DTWKUNHWSA-N 0 3 234.303 0.607 20 0 BCADHN CC(C)OC(=O)[C@@H](C)CNC(=O)[C@H](C)N ZINC000119390217 167167718 /nfs/dbraw/zinc/16/77/18/167167718.db2.gz BZWHJRAKEYYPJQ-YUMQZZPRSA-N 0 3 216.281 0.038 20 0 BCADHN CC(C)OCCN(C)[C@@H]1COC[C@@H]1O ZINC000308520375 167229499 /nfs/dbraw/zinc/22/94/99/167229499.db2.gz HIDZLPOUOSIVKX-ZJUUUORDSA-N 0 3 203.282 0.103 20 0 BCADHN CCN(CC)CCn1cnnc1[S@](C)=O ZINC000330776892 169785011 /nfs/dbraw/zinc/78/50/11/169785011.db2.gz JOYWUOOVPRYBEC-HNNXBMFYSA-N 0 3 230.337 0.357 20 0 BCADHN CC(C)OCC[C@H](O)CN1CCC[C@H](O)C1 ZINC000330966890 167253268 /nfs/dbraw/zinc/25/32/68/167253268.db2.gz IAHFDBUORHWIFF-RYUDHWBXSA-N 0 3 231.336 0.619 20 0 BCADHN CC(C)OC[C@@H](C)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000309386576 167257256 /nfs/dbraw/zinc/25/72/56/167257256.db2.gz SVOLSSKWWKTIOM-GMTAPVOTSA-N 0 3 249.376 0.965 20 0 BCADHN CC(C)OC[C@H](C)NCC1(S(C)(=O)=O)CC1 ZINC000309550579 167264445 /nfs/dbraw/zinc/26/44/45/167264445.db2.gz ICSBGTNVCMXTMA-JTQLQIEISA-N 0 3 249.376 0.967 20 0 BCADHN CC(C)OC[C@H](C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000336731367 167266605 /nfs/dbraw/zinc/26/66/05/167266605.db2.gz FGVICGOLFVGHPO-WDEREUQCSA-N 0 3 249.376 0.967 20 0 BCADHN CC(C)OC[C@H](O)CN(C)CCn1cccn1 ZINC000111695454 167266969 /nfs/dbraw/zinc/26/69/69/167266969.db2.gz RHWHYNGBQBTUDQ-GFCCVEGCSA-N 0 3 241.335 0.601 20 0 BCADHN CC(C)OC[C@H](O)CN1CC[C@@H](O)C(C)(C)C1 ZINC000336708149 167269948 /nfs/dbraw/zinc/26/99/48/167269948.db2.gz NRFWNWVFJHEOOS-VXGBXAGGSA-N 0 3 245.363 0.865 20 0 BCADHN CC(C)O[C@@H]1C[C@@H](N[C@@H]2COC[C@H]2O)C1(C)C ZINC000331612912 167280613 /nfs/dbraw/zinc/28/06/13/167280613.db2.gz WSIVVEATRBVNRS-DDHJBXDOSA-N 0 3 243.347 0.928 20 0 BCADHN CC(C)Oc1cccc(CNC[C@@H](O)CO)c1 ZINC000090282291 167306771 /nfs/dbraw/zinc/30/67/71/167306771.db2.gz IFDSKZBRBDWGMB-GFCCVEGCSA-N 0 3 239.315 0.917 20 0 BCADHN CC(C)Sc1nnnn1CCN(C)C ZINC000340594976 167339400 /nfs/dbraw/zinc/33/94/00/167339400.db2.gz QIKBALVADYUNTB-UHFFFAOYSA-N 0 3 215.326 0.735 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@H]1COCCO1)N(C)C ZINC000331120235 167341460 /nfs/dbraw/zinc/34/14/60/167341460.db2.gz ANVOVIBLZHBDIA-QWRGUYRKSA-N 0 3 244.335 0.104 20 0 BCADHN CC(C)[C@@H](C(=O)NCC[C@H](C)O)N(C)C ZINC000127404708 167341937 /nfs/dbraw/zinc/34/19/37/167341937.db2.gz DJAXXIGDNDTUMG-UWVGGRQHSA-N 0 3 216.325 0.460 20 0 BCADHN CC(C)[C@@H](C(=O)NCCCO)N1CCCCC1 ZINC000331185374 167342323 /nfs/dbraw/zinc/34/23/23/167342323.db2.gz IZNXTUCBGOJYBX-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)[C@@H](C(=O)NCCCO)N(C)C ZINC000162798384 167343132 /nfs/dbraw/zinc/34/31/32/167343132.db2.gz CESCJPBZMKCZMB-VIFPVBQESA-N 0 3 202.298 0.071 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@H](C)O)N1CCCCC1 ZINC000330615604 167343396 /nfs/dbraw/zinc/34/33/96/167343396.db2.gz URUMLPYYVLVKCM-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H]1CCCOC1)N(C)C ZINC000340961461 167343908 /nfs/dbraw/zinc/34/39/08/167343908.db2.gz RBKUSCPVWSGEAB-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN CC(C)[C@@H](C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358052843 167349944 /nfs/dbraw/zinc/34/99/44/167349944.db2.gz VDQVPHCEKUINQL-PWSUYJOCSA-N 0 3 228.336 0.461 20 0 BCADHN CC(C)[C@@H](C)CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358060771 167357835 /nfs/dbraw/zinc/35/78/35/167357835.db2.gz GAOSKLYMABKRSD-AAEUAGOBSA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)[C@@H](C)N(C)CCNS(C)(=O)=O ZINC000337351975 167367779 /nfs/dbraw/zinc/36/77/79/167367779.db2.gz XOAFNWOCKRVHIQ-SECBINFHSA-N 0 3 222.354 0.512 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)N[C@@H](C)CN(C)C ZINC000358495594 167391397 /nfs/dbraw/zinc/39/13/97/167391397.db2.gz ILQZCOGJGOFUKW-WDEREUQCSA-N 0 3 245.367 0.643 20 0 BCADHN C[C@@H](O)CN[C@H]1c2ccccc2C[C@H]1O ZINC000104338685 410932801 /nfs/dbraw/zinc/93/28/01/410932801.db2.gz MDJPOHDQJZNIOZ-FXAINCCUSA-N 0 3 207.273 0.615 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)Cc1ccccn1 ZINC000655497325 410955126 /nfs/dbraw/zinc/95/51/26/410955126.db2.gz RJMQCDDWZHXBKY-RKDXNWHRSA-N 0 3 207.277 0.476 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@@H](CO)CCF ZINC000652015847 410972446 /nfs/dbraw/zinc/97/24/46/410972446.db2.gz MZHOWENDRMUDSA-SNVBAGLBSA-N 0 3 229.299 0.847 20 0 BCADHN C[C@@H](O)C(C)(C)NCc1ccc(N)nc1 ZINC000309660034 410975100 /nfs/dbraw/zinc/97/51/00/410975100.db2.gz ASBGNAVUVYTEOB-MRVPVSSYSA-N 0 3 209.293 0.913 20 0 BCADHN Cc1ccc([O-])c(C[NH2+][C@H](CO)CCF)n1 ZINC000652017337 410983146 /nfs/dbraw/zinc/98/31/46/410983146.db2.gz UFLKTRJUZSKGGH-VIFPVBQESA-N 0 3 228.267 0.906 20 0 BCADHN NC(=O)c1csc(CN[C@@H](CO)CCF)c1 ZINC000652017988 410988018 /nfs/dbraw/zinc/98/80/18/410988018.db2.gz HXPGUKCATXBQQG-MRVPVSSYSA-N 0 3 246.307 0.657 20 0 BCADHN OC[C@@H](CCF)NCc1cnc2cnccn12 ZINC000652018229 410988828 /nfs/dbraw/zinc/98/88/28/410988828.db2.gz NVYGQTIJYGAHSS-SECBINFHSA-N 0 3 238.266 0.539 20 0 BCADHN C=Cn1cc(CN[C@H](CO)CCF)cn1 ZINC000652018000 410989033 /nfs/dbraw/zinc/98/90/33/410989033.db2.gz IHKDHPOZULWOFZ-JTQLQIEISA-N 0 3 213.256 0.794 20 0 BCADHN CC[C@@H](C)[C@@H](C)NC(=O)CN1CCNCC1 ZINC000042558784 411014045 /nfs/dbraw/zinc/01/40/45/411014045.db2.gz RPQPPWZONONEJY-GHMZBOCLSA-N 0 3 227.352 0.442 20 0 BCADHN CCO[C@H]1CCCN(C(=O)[C@H](N)CC)C1 ZINC000042424922 411004385 /nfs/dbraw/zinc/00/43/85/411004385.db2.gz DWGXTJHEAIZENN-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN CCN(C[C@@H]1CCOC1)C(=O)[C@H](N)C1CCC1 ZINC000398982222 411006098 /nfs/dbraw/zinc/00/60/98/411006098.db2.gz FAZWDGXRUUTXID-CMPLNLGQSA-N 0 3 240.347 0.999 20 0 BCADHN N[C@@H](C(=O)NCc1ccncc1)C1CCC1 ZINC000399011619 411006350 /nfs/dbraw/zinc/00/63/50/411006350.db2.gz YBYIPZBPMVESSO-LLVKDONJSA-N 0 3 219.288 0.825 20 0 BCADHN CCN(CC(=O)N(C)C)C(=O)[C@@H](N)C1CCC1 ZINC000399072928 411012292 /nfs/dbraw/zinc/01/22/92/411012292.db2.gz MMABMQXAQNXSNJ-NSHDSACASA-N 0 3 241.335 0.051 20 0 BCADHN CN(CCc1ccccn1)C[C@H]1COCCO1 ZINC000661608882 411048816 /nfs/dbraw/zinc/04/88/16/411048816.db2.gz YFKLKBCEBAJZAT-ZDUSSCGKSA-N 0 3 236.315 0.971 20 0 BCADHN CN(CCc1cccnc1)C[C@H]1COCCO1 ZINC000661612140 411053629 /nfs/dbraw/zinc/05/36/29/411053629.db2.gz KOXYRUZAVSDKRQ-ZDUSSCGKSA-N 0 3 236.315 0.971 20 0 BCADHN OCC1(O)CCN(CC[C@H]2CCCCO2)CC1 ZINC000661619295 411061860 /nfs/dbraw/zinc/06/18/60/411061860.db2.gz LJEGPJGBPSZSBZ-GFCCVEGCSA-N 0 3 243.347 0.765 20 0 BCADHN CCN1CC[C@H](N2C[C@@H](C)C(O)[C@H](C)C2)C1=O ZINC000661620341 411070746 /nfs/dbraw/zinc/07/07/46/411070746.db2.gz JCQZWRFXYKZMPZ-MXWKQRLJSA-N 0 3 240.347 0.556 20 0 BCADHN CCN1CC[C@H](N2C[C@H](C)C(O)[C@@H](C)C2)C1=O ZINC000661620339 411070769 /nfs/dbraw/zinc/07/07/69/411070769.db2.gz JCQZWRFXYKZMPZ-DCAQKATOSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@H]1CN(CC(=O)N2CCCC2)C[C@H](C)C1O ZINC000661625232 411085717 /nfs/dbraw/zinc/08/57/17/411085717.db2.gz LKYPSDBRWYVSJN-QWRGUYRKSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@@H]1CN(CCn2cncn2)C[C@H](C)[C@H]1O ZINC000661620236 411071731 /nfs/dbraw/zinc/07/17/31/411071731.db2.gz ICCHLQYAXDGKIA-URLYPYJESA-N 0 3 224.308 0.227 20 0 BCADHN c1cc(NCCN2CCCC2)nn2nnnc12 ZINC000106009529 411080929 /nfs/dbraw/zinc/08/09/29/411080929.db2.gz YYQZVSWASHNOHB-UHFFFAOYSA-N 0 3 233.279 0.027 20 0 BCADHN C[C@@H]1CN(CC(=O)N2CCC2)C[C@H](C)[C@H]1O ZINC000661625195 411083479 /nfs/dbraw/zinc/08/34/79/411083479.db2.gz SECYVEXOCVYOEU-IAZYJMLFSA-N 0 3 226.320 0.167 20 0 BCADHN C[C@@H]1CN(CC(=O)N2CCC2)C[C@@H](C)C1O ZINC000661625196 411084072 /nfs/dbraw/zinc/08/40/72/411084072.db2.gz SECYVEXOCVYOEU-NXEZZACHSA-N 0 3 226.320 0.167 20 0 BCADHN O=C1[C@H](NC2CSC2)C[C@H]2CCCCN12 ZINC000651608527 411129860 /nfs/dbraw/zinc/12/98/60/411129860.db2.gz HPOLHQHKJAJCKG-NXEZZACHSA-N 0 3 226.345 0.845 20 0 BCADHN CCO[C@H](C)C(=O)N[C@H](CN)C(F)(F)F ZINC000655509218 411132742 /nfs/dbraw/zinc/13/27/42/411132742.db2.gz GIBILOIORGEDFV-PHDIDXHHSA-N 0 3 228.214 0.417 20 0 BCADHN Cc1cc(CNC(=O)[C@H](N)CC(C)C)on1 ZINC000045007118 411143042 /nfs/dbraw/zinc/14/30/42/411143042.db2.gz YTJAZEXUFSMDRQ-SNVBAGLBSA-N 0 3 225.292 0.973 20 0 BCADHN CC[C@H](N)C(=O)NCCCCn1ccnc1 ZINC000045109217 411144290 /nfs/dbraw/zinc/14/42/90/411144290.db2.gz XVYQCVALQCLXTJ-JTQLQIEISA-N 0 3 224.308 0.517 20 0 BCADHN NC[C@H](NC(=O)COCC1CC1)C(F)(F)F ZINC000655510076 411145912 /nfs/dbraw/zinc/14/59/12/411145912.db2.gz LPRWQUIICXPHNR-ZETCQYMHSA-N 0 3 240.225 0.419 20 0 BCADHN Cc1noc(CNC(=O)C2(N)CCCCC2)n1 ZINC000038035010 411146854 /nfs/dbraw/zinc/14/68/54/411146854.db2.gz NDOGNPQJUDJSGR-UHFFFAOYSA-N 0 3 238.291 0.656 20 0 BCADHN Cc1ocnc1C(=O)N[C@@H](CN)C(F)(F)F ZINC000655510657 411147431 /nfs/dbraw/zinc/14/74/31/411147431.db2.gz QLXQOHKFSNYMTD-YFKPBYRVSA-N 0 3 237.181 0.602 20 0 BCADHN CC(C)NC(=O)CN(C)C[C@H]1CCOC1 ZINC000047707167 411163941 /nfs/dbraw/zinc/16/39/41/411163941.db2.gz WIQNOGSXHYJLEG-SNVBAGLBSA-N 0 3 214.309 0.479 20 0 BCADHN CCN(CC(=O)NC(C)C)C[C@@H]1CCOC1 ZINC000047705951 411163993 /nfs/dbraw/zinc/16/39/93/411163993.db2.gz HCPWYWXIWPKGHA-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1Cc1[nH]ncc1C ZINC000651937441 411151623 /nfs/dbraw/zinc/15/16/23/411151623.db2.gz JNIDJAFCVXIJLU-VHSXEESVSA-N 0 3 225.292 0.300 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2ccncc2F)C1 ZINC000651938910 411152738 /nfs/dbraw/zinc/15/27/38/411152738.db2.gz MUEWONRXIUQERB-DTORHVGOSA-N 0 3 223.251 0.574 20 0 BCADHN CO[C@@H](CN1C[C@H](O)C[C@H](O)C1)C1CCC1 ZINC000659976863 411152864 /nfs/dbraw/zinc/15/28/64/411152864.db2.gz FPVUDPUPJKTVMA-TUAOUCFPSA-N 0 3 229.320 0.229 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2ccncc2)C1 ZINC000651941059 411153501 /nfs/dbraw/zinc/15/35/01/411153501.db2.gz KKWBSVLQQYDCOB-AOOOYVTPSA-N 0 3 205.261 0.435 20 0 BCADHN Cc1ccc(CN[C@H]2C[C@@H](C(N)=O)C2)o1 ZINC000651940856 411153718 /nfs/dbraw/zinc/15/37/18/411153718.db2.gz CFRRXZDOFYHDNO-DTORHVGOSA-N 0 3 208.261 0.942 20 0 BCADHN CO[C@@H](CN1C[C@@H](O)[C@@H](O)C1)C1CCCC1 ZINC000659980325 411154482 /nfs/dbraw/zinc/15/44/82/411154482.db2.gz TXYGSOMNUVLBGS-TUAOUCFPSA-N 0 3 229.320 0.229 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NC1CCSCC1 ZINC000309503040 411155041 /nfs/dbraw/zinc/15/50/41/411155041.db2.gz MEHSVXQQBXATBZ-SECBINFHSA-N 0 3 228.361 0.996 20 0 BCADHN NC[C@@H](NC(=O)NCC1CC1)C(F)(F)F ZINC000655913462 411157475 /nfs/dbraw/zinc/15/74/75/411157475.db2.gz UNORMOGMEIJUFA-ZCFIWIBFSA-N 0 3 225.214 0.585 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000309513924 411157899 /nfs/dbraw/zinc/15/78/99/411157899.db2.gz YCHXKJLCCPYZBX-AEJSXWLSSA-N 0 3 214.309 0.655 20 0 BCADHN CC1(C)C[C@@H]1NC(=O)N[C@@H](CN)C(F)(F)F ZINC000655915744 411158214 /nfs/dbraw/zinc/15/82/14/411158214.db2.gz XFJLBPWWLMTMDR-WDSKDSINSA-N 0 3 239.241 0.974 20 0 BCADHN NC[C@@H](NC(=O)Nc1cn[nH]c1)C(F)(F)F ZINC000655913728 411158350 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/nfs/dbraw/zinc/16/08/27/411160827.db2.gz ZWIYEMHLYASKNP-VXGBXAGGSA-N 0 3 224.304 0.607 20 0 BCADHN C[C@H]1CN(Cc2ccnn2C)C[C@H](C)C1O ZINC000661629332 411103884 /nfs/dbraw/zinc/10/38/84/411103884.db2.gz WHBZALWFWMGUAV-UWVGGRQHSA-N 0 3 223.320 0.869 20 0 BCADHN CCNC(=O)CN1CCC[C@@](O)(C2CC2)C1 ZINC000661636776 411112929 /nfs/dbraw/zinc/11/29/29/411112929.db2.gz VCPQWWSKMQVGCW-LBPRGKRZSA-N 0 3 226.320 0.359 20 0 BCADHN CCN1CC[C@@H](N2CC[C@]3(CCOC3)C2)C1=O ZINC000659997542 411162204 /nfs/dbraw/zinc/16/22/04/411162204.db2.gz JVPJNZASLLUXPT-YPMHNXCESA-N 0 3 238.331 0.720 20 0 BCADHN CCCc1cc(C(=O)NCCN(C)C)[nH]n1 ZINC000047614705 411127106 /nfs/dbraw/zinc/12/71/06/411127106.db2.gz QDOLCEUYGOEVID-UHFFFAOYSA-N 0 3 224.308 0.654 20 0 BCADHN O=C1CCCN1CCN1CCCCC[C@H]1CO ZINC000653781409 411170948 /nfs/dbraw/zinc/17/09/48/411170948.db2.gz HJXKNILEWHVEKQ-LBPRGKRZSA-N 0 3 240.347 0.846 20 0 BCADHN C[C@H](CN[C@@H]1COC2(CCC2)C1)S(C)(=O)=O ZINC000657931986 411171253 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210.281 0.774 20 0 BCADHN CN(C)CCc1cn([C@@H]2CCC[C@@H]2O)nn1 ZINC000656434291 411246254 /nfs/dbraw/zinc/24/62/54/411246254.db2.gz VCURUHJGVXTDBQ-MNOVXSKESA-N 0 3 224.308 0.468 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1N[C@H]1C[C@H](C)n2ncnc21 ZINC000658102352 411246312 /nfs/dbraw/zinc/24/63/12/411246312.db2.gz OJBUJUVRPJXLKU-RCWTZXSCSA-N 0 3 235.335 0.824 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1COC2(CCC2)C1 ZINC000658041928 411215936 /nfs/dbraw/zinc/21/59/36/411215936.db2.gz LOAHZSQRGSQIAE-HBNTYKKESA-N 0 3 227.304 0.701 20 0 BCADHN C[C@@H](O)CN(CCN1CCO[C@H](C)C1)C1CC1 ZINC000653902376 411217762 /nfs/dbraw/zinc/21/77/62/411217762.db2.gz RIIYUACJNKDDKQ-VXGBXAGGSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@H](Cc1ccoc1)N[C@H]1CCNC1=O ZINC000658052623 411220050 /nfs/dbraw/zinc/22/00/50/411220050.db2.gz MTCRHXCGEUYACV-SCZZXKLOSA-N 0 3 208.261 0.689 20 0 BCADHN CCn1cc([C@@H](C)NC[C@](C)(CO)OC)cn1 ZINC000655784383 411223160 /nfs/dbraw/zinc/22/31/60/411223160.db2.gz BSXXDYQCCZHGNM-ZYHUDNBSSA-N 0 3 241.335 0.951 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ZINC000658087202 411237419 /nfs/dbraw/zinc/23/74/19/411237419.db2.gz JLFYPXOWTDUPND-KOLCDFICSA-N 0 3 249.376 0.560 20 0 BCADHN CCN1CC[C@H](N2CCC[C@H]([C@@H](C)O)C2)C1=O ZINC000660116686 411238112 /nfs/dbraw/zinc/23/81/12/411238112.db2.gz JQAWPQNLHDTMOX-WOPDTQHZSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](N[C@H](CO)C1CCC1)c1ccc(=O)[nH]n1 ZINC000658087658 411238699 /nfs/dbraw/zinc/23/86/99/411238699.db2.gz LUKLRABNTXPNML-GZMMTYOYSA-N 0 3 237.303 0.994 20 0 BCADHN O=C1NC(=O)N2CCN(C[C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]12 ZINC000660147150 411262261 /nfs/dbraw/zinc/26/22/61/411262261.db2.gz MSUKAJOCSHBJBF-VLEAKVRGSA-N 0 3 249.314 0.269 20 0 BCADHN CN1CCC[C@@H](N[C@H]2COC3(CCC3)C2)C1=O ZINC000656683568 411327026 /nfs/dbraw/zinc/32/70/26/411327026.db2.gz IZDRQAVVXSFFMT-GHMZBOCLSA-N 0 3 238.331 0.908 20 0 BCADHN O=S(=O)(NCCNC1CC1)c1cccnc1 ZINC000054267155 411263719 /nfs/dbraw/zinc/26/37/19/411263719.db2.gz XKDZFSAJMQWOIS-UHFFFAOYSA-N 0 3 241.316 0.112 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(N)nc1)N(C)C ZINC000050708814 411265063 /nfs/dbraw/zinc/26/50/63/411265063.db2.gz PIQOIAZJUIFOON-QMMMGPOBSA-N 0 3 222.292 0.344 20 0 BCADHN Cn1nccc1-n1cc(C(C)(C)N)nn1 ZINC000656456423 411265188 /nfs/dbraw/zinc/26/51/88/411265188.db2.gz BTUMPPUBEXAAGL-UHFFFAOYSA-N 0 3 206.253 0.195 20 0 BCADHN O=C1C[C@H](CN2CCOC[C@H]2C2CC2)CN1 ZINC000660151427 411266064 /nfs/dbraw/zinc/26/60/64/411266064.db2.gz RTLNFZAJARMQIF-ONGXEEELSA-N 0 3 224.304 0.233 20 0 BCADHN COC[C@H](O)Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000656457265 411266317 /nfs/dbraw/zinc/26/63/17/411266317.db2.gz ITPRYAKRCNNPDS-SCZZXKLOSA-N 0 3 242.323 0.331 20 0 BCADHN C[C@H](CSc1nnc(N)n1C)N(C)C ZINC000584790554 411266898 /nfs/dbraw/zinc/26/68/98/411266898.db2.gz QKTQYCACDJBGBH-ZCFIWIBFSA-N 0 3 215.326 0.440 20 0 BCADHN CC[C@](C)(N)c1cn(-c2ccnc(CO)c2)nn1 ZINC000656459245 411268786 /nfs/dbraw/zinc/26/87/86/411268786.db2.gz RRVQAQAYQFSKNG-LBPRGKRZSA-N 0 3 247.302 0.739 20 0 BCADHN CC[C@@](C)(N)c1cn(-c2ccnc(CO)c2)nn1 ZINC000656459244 411269690 /nfs/dbraw/zinc/26/96/90/411269690.db2.gz RRVQAQAYQFSKNG-GFCCVEGCSA-N 0 3 247.302 0.739 20 0 BCADHN O=C1C[C@H](CN2CCOC3(CCC3)C2)CN1 ZINC000660158880 411270894 /nfs/dbraw/zinc/27/08/94/411270894.db2.gz XMWDBELMNBLBDC-JTQLQIEISA-N 0 3 224.304 0.377 20 0 BCADHN CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCCCN1 ZINC000070645717 411271629 /nfs/dbraw/zinc/27/16/29/411271629.db2.gz XIGMCSQMVMXVNS-VIFPVBQESA-N 0 3 222.292 0.510 20 0 BCADHN CC(C)(N)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000652560912 411271892 /nfs/dbraw/zinc/27/18/92/411271892.db2.gz XPAIWEWXZRLFBQ-SECBINFHSA-N 0 3 218.247 0.981 20 0 BCADHN CS[C@@H]1CCN(CCc2cn(C)nn2)C1 ZINC000599431393 411272071 /nfs/dbraw/zinc/27/20/71/411272071.db2.gz HETHFYNNSNLCKN-SNVBAGLBSA-N 0 3 226.349 0.795 20 0 BCADHN O[C@@H]1C[C@H](O)CN(CCOCC2CCCC2)C1 ZINC000656452004 411273987 /nfs/dbraw/zinc/27/39/87/411273987.db2.gz VQBIADYKRHDBDH-BETUJISGSA-N 0 3 243.347 0.621 20 0 BCADHN CC(C)[C@H](N)c1cn(CC2(C)COC2)nn1 ZINC000656453382 411276326 /nfs/dbraw/zinc/27/63/26/411276326.db2.gz JCXJFFQCMYNWAN-JTQLQIEISA-N 0 3 224.308 0.970 20 0 BCADHN C[C@H](CN1CCCCC1)N=c1nc[nH]n1C ZINC000653462885 411280324 /nfs/dbraw/zinc/28/03/24/411280324.db2.gz QHTSGTYEONPZLR-SNVBAGLBSA-N 0 3 223.324 0.523 20 0 BCADHN CC[C@@H](C)N(C)CCN=c1nc[nH]n1C ZINC000653463986 411280759 /nfs/dbraw/zinc/28/07/59/411280759.db2.gz GPEGSCHXQWLTCU-SECBINFHSA-N 0 3 211.313 0.379 20 0 BCADHN CN1CCC(CC(=O)N[C@H](CO)CCF)CC1 ZINC000652913040 411328450 /nfs/dbraw/zinc/32/84/50/411328450.db2.gz UAEDGZNVWWQVQC-NSHDSACASA-N 0 3 246.326 0.555 20 0 BCADHN C[C@@H]1CCN(C(=O)CN2CCNCC2)[C@H](C)C1 ZINC000051733012 411282503 /nfs/dbraw/zinc/28/25/03/411282503.db2.gz UZJHTHFDJASURR-VXGBXAGGSA-N 0 3 239.363 0.539 20 0 BCADHN CCN1CC[C@@H](N[C@@H](C)[C@@H](C)OC)C1=O ZINC000656488274 411284182 /nfs/dbraw/zinc/28/41/82/411284182.db2.gz NPAYZVRIOFLRIT-IVZWLZJFSA-N 0 3 214.309 0.620 20 0 BCADHN CN(CCN(C)C1CC1)c1ncnn1C ZINC000653468091 411288852 /nfs/dbraw/zinc/28/88/52/411288852.db2.gz 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MWPLFWRXNUTKAO-QWRGUYRKSA-N 0 3 229.320 0.231 20 0 BCADHN C[C@@H](CN(C)CC(=O)NC(N)=O)C(C)(C)C ZINC000603055933 411302131 /nfs/dbraw/zinc/30/21/31/411302131.db2.gz OSHQZVGBFNIJBX-QMMMGPOBSA-N 0 3 229.324 0.795 20 0 BCADHN CCN1CCC[C@@H]1CNc1cc(C#N)cnn1 ZINC000396903061 411304768 /nfs/dbraw/zinc/30/47/68/411304768.db2.gz HFSGRFOUSAGZCK-LLVKDONJSA-N 0 3 231.303 1.244 20 0 BCADHN CO[C@@H](CN(CC(N)=O)C(C)C)[C@@H]1CCOC1 ZINC000659822430 411305310 /nfs/dbraw/zinc/30/53/10/411305310.db2.gz NOXBWHLWYDUCAW-MNOVXSKESA-N 0 3 244.335 0.234 20 0 BCADHN CO[C@@H](CN(CC(N)=O)C(C)C)[C@H]1CCOC1 ZINC000659822437 411305463 /nfs/dbraw/zinc/30/54/63/411305463.db2.gz NOXBWHLWYDUCAW-QWRGUYRKSA-N 0 3 244.335 0.234 20 0 BCADHN Cc1noc(CN(C)C(=O)[C@@H](N)C(C)(C)C)n1 ZINC000655526763 411307334 /nfs/dbraw/zinc/30/73/34/411307334.db2.gz DKWPVOAVJUOOKD-SECBINFHSA-N 0 3 240.307 0.710 20 0 BCADHN CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CCCOC1 ZINC000402664992 411307631 /nfs/dbraw/zinc/30/76/31/411307631.db2.gz ACRXMMUQAYBKBF-QWRGUYRKSA-N 0 3 228.336 0.997 20 0 BCADHN CCN(C(=O)CNC)[C@@H]1CCCOC1 ZINC000402689366 411308524 /nfs/dbraw/zinc/30/85/24/411308524.db2.gz AXGFNOJHUGGIMC-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN c1nc(-c2ccccn2)nn1C[C@@H]1CNCCO1 ZINC000656611651 411309575 /nfs/dbraw/zinc/30/95/75/411309575.db2.gz NCQZUJDATRXCBL-JTQLQIEISA-N 0 3 245.286 0.329 20 0 BCADHN CN1CCCN(CC(=O)Nc2cnccn2)CC1 ZINC000659829838 411313501 /nfs/dbraw/zinc/31/35/01/411313501.db2.gz VPVKKOCNVAEDGD-UHFFFAOYSA-N 0 3 249.318 0.053 20 0 BCADHN CC[C@@H](C(=O)NC1(CO)CC1)N(CC)CC ZINC000359681802 411313682 /nfs/dbraw/zinc/31/36/82/411313682.db2.gz LWZYWOLQOLDQRY-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CN1CCC[C@H](N[C@H]2C[C@@H](O)C23CCC3)C1=O ZINC000661831424 411317136 /nfs/dbraw/zinc/31/71/36/411317136.db2.gz OGKJZBKOOHAGHN-GARJFASQSA-N 0 3 238.331 0.500 20 0 BCADHN CN1CCC[C@H](N[C@@H]2C[C@H](O)C23CCC3)C1=O ZINC000661831422 411317313 /nfs/dbraw/zinc/31/73/13/411317313.db2.gz OGKJZBKOOHAGHN-AXFHLTTASA-N 0 3 238.331 0.500 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2CNC(=O)C2)CCO1 ZINC000659838416 411317713 /nfs/dbraw/zinc/31/77/13/411317713.db2.gz ODVSMZWWEPRDMD-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN Cc1cncc(CCN2C[C@H](O)[C@@H](C)C2)n1 ZINC000402900387 411321495 /nfs/dbraw/zinc/32/14/95/411321495.db2.gz KYNWNOUQPITZBA-CABZTGNLSA-N 0 3 221.304 0.640 20 0 BCADHN CCN(CCO)CCc1cncc(C)n1 ZINC000402932961 411322003 /nfs/dbraw/zinc/32/20/03/411322003.db2.gz WTDDHWWIXTVYMJ-UHFFFAOYSA-N 0 3 209.293 0.642 20 0 BCADHN CC[C@H](N[C@@H](COC)C1CCOCC1)C(N)=O ZINC000656677727 411323057 /nfs/dbraw/zinc/32/30/57/411323057.db2.gz HTOUCKQMCWICRD-QWRGUYRKSA-N 0 3 244.335 0.282 20 0 BCADHN NS(=O)(=O)[C@@H]1CCN(CCC2CCC2)C1 ZINC000660128170 411249236 /nfs/dbraw/zinc/24/92/36/411249236.db2.gz KXWOPPNTFNNZFG-SNVBAGLBSA-N 0 3 232.349 0.539 20 0 BCADHN O=C(NCCO)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000653950725 411250268 /nfs/dbraw/zinc/25/02/68/411250268.db2.gz SUMUZABPLRQFPH-GHMZBOCLSA-N 0 3 241.335 0.295 20 0 BCADHN NC(=O)[C@@H]1CC[C@H](N[C@@H]2CCCn3ccnc32)C1 ZINC000655774692 411257989 /nfs/dbraw/zinc/25/79/89/411257989.db2.gz DVTYBVQBVWHICL-OUAUKWLOSA-N 0 3 248.330 0.962 20 0 BCADHN N[C@H](c1cn(-c2ccncc2)nn1)[C@@H]1CCCO1 ZINC000656440777 411259041 /nfs/dbraw/zinc/25/90/41/411259041.db2.gz NJRMFKHZVRSSKI-NWDGAFQWSA-N 0 3 245.286 0.841 20 0 BCADHN C[NH2+]C[C@@H](C)NC(=O)NCc1ncccc1[O-] ZINC000659633949 411260045 /nfs/dbraw/zinc/26/00/45/411260045.db2.gz GTWBTUHAPJFICZ-MRVPVSSYSA-N 0 3 238.291 0.194 20 0 BCADHN CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000050460248 411260237 /nfs/dbraw/zinc/26/02/37/411260237.db2.gz VEOUZULWOOKTNH-MNOVXSKESA-N 0 3 247.298 0.722 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCN1 ZINC000370038782 167950257 /nfs/dbraw/zinc/95/02/57/167950257.db2.gz YBMMTEVSURMHOD-MXWKQRLJSA-N 0 3 238.331 0.764 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2N[C@H]1C[C@H](O)C1 ZINC000658350519 411351865 /nfs/dbraw/zinc/35/18/65/411351865.db2.gz PYJOFTUOCPUITQ-QXEWZRGKSA-N 0 3 221.304 0.910 20 0 BCADHN Cc1nn(C)cc1[C@H](C)N[C@H]1C[C@H](O)C1 ZINC000658350958 411352358 /nfs/dbraw/zinc/35/23/58/411352358.db2.gz SOKDBSDHKSAXAD-HGNGGELXSA-N 0 3 209.293 0.902 20 0 BCADHN C[C@H](CO)[C@H](C)NCC(=O)Nc1cnccn1 ZINC000660269793 411354935 /nfs/dbraw/zinc/35/49/35/411354935.db2.gz ORJRUADVAUGUFX-BDAKNGLRSA-N 0 3 238.291 0.022 20 0 BCADHN CC[C@H]1CN(C(=O)CNC)[C@H](C)CO1 ZINC000403726825 411356209 /nfs/dbraw/zinc/35/62/09/411356209.db2.gz GKTVTKPZBZNOSG-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@@H]1CN(C[C@H](O)COC)[C@@H](CC)CO1 ZINC000403753461 411358275 /nfs/dbraw/zinc/35/82/75/411358275.db2.gz MQVXLLXDPPBHDA-SDDRHHMPSA-N 0 3 231.336 0.883 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@H](CC)OC[C@H]1C ZINC000403758365 411359445 /nfs/dbraw/zinc/35/94/45/411359445.db2.gz NUVIULMKYOOGRW-KXUCPTDWSA-N 0 3 214.309 0.750 20 0 BCADHN C[C@@H](O)CN1CCN([C@@H]2CCO[C@H](C)C2)CC1 ZINC000659876034 411359608 /nfs/dbraw/zinc/35/96/08/411359608.db2.gz VUGPYGHYIFSMOK-JHJVBQTASA-N 0 3 242.363 0.552 20 0 BCADHN COC[C@H](CN1CCN(C)C[C@H]1C(C)C)OC ZINC000660630950 411361798 /nfs/dbraw/zinc/36/17/98/411361798.db2.gz SDUBIUQALQRXFY-STQMWFEESA-N 0 3 244.379 0.920 20 0 BCADHN COC1CC(CCNC(=O)C(C)(C)N)C1 ZINC000658932520 411362447 /nfs/dbraw/zinc/36/24/47/411362447.db2.gz VZPIZVJEUNFPHZ-UHFFFAOYSA-N 0 3 214.309 0.655 20 0 BCADHN CC(C)(N)C(=O)NCCO[C@@H]1CC1(F)F ZINC000658949055 411363855 /nfs/dbraw/zinc/36/38/55/411363855.db2.gz XIKNMEJKDIPILB-ZCFIWIBFSA-N 0 3 222.235 0.264 20 0 BCADHN Cc1ccncc1CCNC(=O)C(C)(C)N ZINC000658939296 411363944 /nfs/dbraw/zinc/36/39/44/411363944.db2.gz BXWBFTACTCHVRC-UHFFFAOYSA-N 0 3 221.304 0.786 20 0 BCADHN CN(CC1=CCSC1)C(=O)C(C)(C)N ZINC000658969425 411364604 /nfs/dbraw/zinc/36/46/04/411364604.db2.gz SGVQJVUIFAADPG-UHFFFAOYSA-N 0 3 214.334 0.855 20 0 BCADHN NC1(C(=O)Nc2ccc3c(c2)CCNC3=O)CC1 ZINC000659337314 411364939 /nfs/dbraw/zinc/36/49/39/411364939.db2.gz RGJSGADCGKFZCU-UHFFFAOYSA-N 0 3 245.282 0.402 20 0 BCADHN CC[C@H]1CN(C(=O)CNCCOC)[C@H](C)CO1 ZINC000403905897 411365333 /nfs/dbraw/zinc/36/53/33/411365333.db2.gz AXMRGZMDDLTOIV-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H]1CN([C@H]2CCCNC2=O)C[C@@]1(C)CO ZINC000662140676 411365516 /nfs/dbraw/zinc/36/55/16/411365516.db2.gz DKQIOGFKZCULHS-SCVCMEIPSA-N 0 3 226.320 0.215 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@@H](C)[C@](C)(CO)C1 ZINC000662138817 411365734 /nfs/dbraw/zinc/36/57/34/411365734.db2.gz XNZDEPJZVDKKLV-MDZLAQPJSA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCc1cn[nH]n1 ZINC000660644049 411368765 /nfs/dbraw/zinc/36/87/65/411368765.db2.gz GSPMMAXZRYJXJC-LLVKDONJSA-N 0 3 223.324 0.373 20 0 BCADHN Cc1ccncc1CCNC(=O)[C@H](C)N ZINC000659341207 411370581 /nfs/dbraw/zinc/37/05/81/411370581.db2.gz SJNUQMCXTYSOMC-VIFPVBQESA-N 0 3 207.277 0.396 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](CO)CCF ZINC000652915061 411334011 /nfs/dbraw/zinc/33/40/11/411334011.db2.gz DEPZFRODAQWAFL-MXWKQRLJSA-N 0 3 246.326 0.696 20 0 BCADHN C[C@@H]1NC(=O)N(CCN2CC[C@H]3C[C@H]3C2)C1=O ZINC000661967006 411334051 /nfs/dbraw/zinc/33/40/51/411334051.db2.gz NBLIRVHEBXMIIF-GUBZILKMSA-N 0 3 237.303 0.269 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](CO)CCF)N(CC)CC ZINC000652915080 411334422 /nfs/dbraw/zinc/33/44/22/411334422.db2.gz DOLWTVROKSIENT-MNOVXSKESA-N 0 3 248.342 0.944 20 0 BCADHN CO[C@@H](C)CNC[C@H](C)S(C)(=O)=O ZINC000656707758 411334972 /nfs/dbraw/zinc/33/49/72/411334972.db2.gz GINUUFUCDSKNDP-YUMQZZPRSA-N 0 3 209.311 0.044 20 0 BCADHN CO[C@H](C)CNC[C@H](C)S(C)(=O)=O ZINC000656706711 411335027 /nfs/dbraw/zinc/33/50/27/411335027.db2.gz GINUUFUCDSKNDP-SFYZADRCSA-N 0 3 209.311 0.044 20 0 BCADHN Cn1ncc(C2CCC2)c1CNCCC(N)=O ZINC000656711898 411336741 /nfs/dbraw/zinc/33/67/41/411336741.db2.gz OKWFMUFWIMJNRZ-UHFFFAOYSA-N 0 3 236.319 0.653 20 0 BCADHN C[C@H](CNC[C@H]1CCC[C@@H](C)O1)S(C)(=O)=O ZINC000656710887 411337222 /nfs/dbraw/zinc/33/72/22/411337222.db2.gz NNMPOTDLUZTQQH-GMTAPVOTSA-N 0 3 249.376 0.967 20 0 BCADHN CC(C)CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000653478780 411337715 /nfs/dbraw/zinc/33/77/15/411337715.db2.gz PVNJXOFUKGVRNN-WDEREUQCSA-N 0 3 241.335 0.103 20 0 BCADHN c1ncn2c1CN(CCc1c[nH]nn1)CC2 ZINC000660583560 411338120 /nfs/dbraw/zinc/33/81/20/411338120.db2.gz KRCPWOXBIDEVGA-UHFFFAOYSA-N 0 3 218.264 0.060 20 0 BCADHN O=S1(=O)CCCN1CCN1CC[C@H]2C[C@H]2C1 ZINC000661969552 411338154 /nfs/dbraw/zinc/33/81/54/411338154.db2.gz JRBNOPRGWQKNTK-QWRGUYRKSA-N 0 3 244.360 0.364 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N[C@@H](CO)CCF ZINC000652917606 411338443 /nfs/dbraw/zinc/33/84/43/411338443.db2.gz AMFWISJQDISLKQ-MNOVXSKESA-N 0 3 246.326 0.698 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@H](CO)CCF ZINC000652917608 411338755 /nfs/dbraw/zinc/33/87/55/411338755.db2.gz AMFWISJQDISLKQ-WDEREUQCSA-N 0 3 246.326 0.698 20 0 BCADHN Cn1cc(CNCC(C)(C)CCO)cn1 ZINC000164967315 411339102 /nfs/dbraw/zinc/33/91/02/411339102.db2.gz YQTHWWBVCREKFF-UHFFFAOYSA-N 0 3 211.309 0.918 20 0 BCADHN CC1(C)CN(C[C@@H]2CCC(=O)N2)CC[C@H]1O ZINC000303797382 411340093 /nfs/dbraw/zinc/34/00/93/411340093.db2.gz KCVIHGJFLLPZBT-VHSXEESVSA-N 0 3 226.320 0.358 20 0 BCADHN CC1(C)[C@H](NCc2cnc3cnccn23)C[C@@H]1O ZINC000275061486 168001058 /nfs/dbraw/zinc/00/10/58/168001058.db2.gz QDLYOYWAMDVZBX-MNOVXSKESA-N 0 3 246.314 0.978 20 0 BCADHN CC1(C)[C@H](NCc2cncnc2)C[C@@H]1O ZINC000168192556 168001922 /nfs/dbraw/zinc/00/19/22/168001922.db2.gz VIUDTGLJFWJQTR-ZJUUUORDSA-N 0 3 207.277 0.726 20 0 BCADHN CC1(C)[C@H](O)CCN1C[C@H](O)C(F)(F)F ZINC000335598839 168007913 /nfs/dbraw/zinc/00/79/13/168007913.db2.gz WWDHAVSMLYUKLG-RQJHMYQMSA-N 0 3 227.226 0.755 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NCc1cncnc1 ZINC000168192750 168008532 /nfs/dbraw/zinc/00/85/32/168008532.db2.gz VIUDTGLJFWJQTR-NXEZZACHSA-N 0 3 207.277 0.726 20 0 BCADHN CC1(C)[C@@H]2CN(C(=O)[C@]3(F)CCNC3)C[C@@H]21 ZINC000366324979 168011806 /nfs/dbraw/zinc/01/18/06/168011806.db2.gz CBPDVFVRTJKUSN-SBMIAAHKSA-N 0 3 226.295 0.802 20 0 BCADHN CC1(CN2CC[C@@H](N3CCCC3=O)C2)COC1 ZINC000336722190 168026590 /nfs/dbraw/zinc/02/65/90/168026590.db2.gz ZTTUMDCUXFDGDF-LLVKDONJSA-N 0 3 238.331 0.720 20 0 BCADHN CC1(CNC(=O)N2CCOC3(CNC3)C2)CC1 ZINC000333121538 168030678 /nfs/dbraw/zinc/03/06/78/168030678.db2.gz ANCQBACFMDKCDN-UHFFFAOYSA-N 0 3 239.319 0.170 20 0 BCADHN CC(=O)NCC(=O)Nc1cccc(CN)c1 ZINC000063191030 411348074 /nfs/dbraw/zinc/34/80/74/411348074.db2.gz NJBJRNAQZIJYBS-UHFFFAOYSA-N 0 3 221.260 0.220 20 0 BCADHN O=C(CN1CC[C@H]2COC[C@H]2C1)N1CCCC1 ZINC000662031369 411348099 /nfs/dbraw/zinc/34/80/99/411348099.db2.gz DVLCWTPAMVXZCD-NWDGAFQWSA-N 0 3 238.331 0.577 20 0 BCADHN CC[C@@H](C(=O)NCCC1(CO)CCC1)N(C)C ZINC000652934128 411348538 /nfs/dbraw/zinc/34/85/38/411348538.db2.gz TVNMNDDEUYFUHP-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000654177573 411349130 /nfs/dbraw/zinc/34/91/30/411349130.db2.gz ZKKAZZIROILTQF-NNYUYHANSA-N 0 3 240.347 0.841 20 0 BCADHN COc1ccnc(CNC(=O)[C@@H](C)N)c1F ZINC000659361192 411376844 /nfs/dbraw/zinc/37/68/44/411376844.db2.gz NNGXFMIODPQEOU-ZCFIWIBFSA-N 0 3 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GGZXOLLOASEHRR-ONGXEEELSA-N 0 3 247.360 0.738 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CCCOCC1 ZINC000368393375 170261973 /nfs/dbraw/zinc/26/19/73/170261973.db2.gz KAZYZYHQBGSXTN-NSHDSACASA-N 0 3 231.292 0.023 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN[C@@H](COC)C1CC1 ZINC000355042525 170262322 /nfs/dbraw/zinc/26/23/22/170262322.db2.gz APTYHHZKWBVXQF-JQWIXIFHSA-N 0 3 245.319 0.315 20 0 BCADHN CO[C@H]1CS(=O)(=O)C[C@H]1NCC1(C)CC1 ZINC000657607262 411561100 /nfs/dbraw/zinc/56/11/00/411561100.db2.gz YGAFQXVMWBZKQX-BDAKNGLRSA-N 0 3 233.333 0.188 20 0 BCADHN CO[C@H]1CS(=O)(=O)C[C@H]1NCC1(C)CCC1 ZINC000657606948 411561114 /nfs/dbraw/zinc/56/11/14/411561114.db2.gz WUSQZDHJRZAOSG-ZJUUUORDSA-N 0 3 247.360 0.578 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)[C@H](N)[C@@H](C)CC ZINC000236961416 170264619 /nfs/dbraw/zinc/26/46/19/170264619.db2.gz ZSLKRMMPPXSNKI-IVZWLZJFSA-N 0 3 244.335 0.675 20 0 BCADHN COCc1nnc(C[NH2+][C@@H](C)C2CC2)[n-]1 ZINC000657607158 411561254 /nfs/dbraw/zinc/56/12/54/411561254.db2.gz DISLGTXFACLQSD-ZETCQYMHSA-N 0 3 210.281 0.839 20 0 BCADHN COC[C@H](C)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000657636898 411567842 /nfs/dbraw/zinc/56/78/42/411567842.db2.gz FTGYNNNYMKFKCQ-GUBZILKMSA-N 0 3 235.349 0.577 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)NCc1n[nH]c(C)n1 ZINC000293139214 170269798 /nfs/dbraw/zinc/26/97/98/170269798.db2.gz LRRKAFYVNGIALL-HTQZYQBOSA-N 0 3 240.307 0.790 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)NCc1cnnn1C ZINC000289622971 170269849 /nfs/dbraw/zinc/26/98/49/170269849.db2.gz VFSYBEQDGRIQAF-RKDXNWHRSA-N 0 3 240.307 0.492 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](CC)C(N)=O ZINC000309645029 170270995 /nfs/dbraw/zinc/27/09/95/170270995.db2.gz LXIKRQJMPMCHFM-VGMNWLOBSA-N 0 3 230.308 0.428 20 0 BCADHN COCc1nnc(C[NH2+]C2CCCC2)[n-]1 ZINC000657608171 411561954 /nfs/dbraw/zinc/56/19/54/411561954.db2.gz SCCLFJBPWROVEY-UHFFFAOYSA-N 0 3 210.281 0.983 20 0 BCADHN C[C@@H](NCc1cnc2cnccn12)C1(CO)CC1 ZINC000657604928 411563577 /nfs/dbraw/zinc/56/35/77/411563577.db2.gz 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CCOCC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360363747 170344938 /nfs/dbraw/zinc/34/49/38/170344938.db2.gz RYEVWPAZYRZUNN-LLVKDONJSA-N 0 3 246.376 0.576 20 0 BCADHN CCOCCCC(=O)NCCN(C)CC ZINC000119983130 170365725 /nfs/dbraw/zinc/36/57/25/170365725.db2.gz UZZZGQIKUZNSHL-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN CCOCCCCNC(=O)[C@@]1(F)CCNC1 ZINC000366345452 170368213 /nfs/dbraw/zinc/36/82/13/170368213.db2.gz JENQPZNXGVWMFG-LLVKDONJSA-N 0 3 232.299 0.621 20 0 BCADHN CCOCCCN(C)[C@@H]1CCNC1=O ZINC000340218856 170370360 /nfs/dbraw/zinc/37/03/60/170370360.db2.gz JLKOEHOSVSLDDN-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN CCOCCCN1CCC(O)(C(=O)OC)CC1 ZINC000354829133 170371868 /nfs/dbraw/zinc/37/18/68/170371868.db2.gz IDJLSPFBEWSWAG-UHFFFAOYSA-N 0 3 245.319 0.413 20 0 BCADHN CCOCCCN1CCN(C[C@H](C)O)C[C@H]1C ZINC000337356612 170373455 /nfs/dbraw/zinc/37/34/55/170373455.db2.gz CMCADIMYKZGESI-OLZOCXBDSA-N 0 3 244.379 0.800 20 0 BCADHN CCOCCCN1CCC[C@@H]1C(=O)NC ZINC000357560444 170373783 /nfs/dbraw/zinc/37/37/83/170373783.db2.gz RIOUQEOCRDNRNQ-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CCOCCCN1CCC[C@H]1C(N)=O ZINC000119060383 170373843 /nfs/dbraw/zinc/37/38/43/170373843.db2.gz FOIQRNIHPMPUES-VIFPVBQESA-N 0 3 200.282 0.363 20 0 BCADHN CCOCCCNC(=O)NCCN(C)C1CC1 ZINC000352608671 170378087 /nfs/dbraw/zinc/37/80/87/170378087.db2.gz OFLJVHLSXMYRCL-UHFFFAOYSA-N 0 3 243.351 0.806 20 0 BCADHN CCOCCCNC(=O)[C@H](CC)N(C)C ZINC000124472946 170378863 /nfs/dbraw/zinc/37/88/63/170378863.db2.gz GEBSCNIJGGZCKZ-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN CN1CCCN(c2nc3ccccn3n2)CC1 ZINC000663316030 411623413 /nfs/dbraw/zinc/62/34/13/411623413.db2.gz SNHHWHOTWDTIDO-UHFFFAOYSA-N 0 3 231.303 0.871 20 0 BCADHN CCOCCN(CC)[C@H]1COC[C@H]1O ZINC000308553613 170396770 /nfs/dbraw/zinc/39/67/70/170396770.db2.gz RCESLHGHVZCKEU-VHSXEESVSA-N 0 3 203.282 0.105 20 0 BCADHN OCC1(N(C[C@@H]2COCCO2)C2CC2)CCC1 ZINC000660770430 411623677 /nfs/dbraw/zinc/62/36/77/411623677.db2.gz FLXCNVQVLZDTKO-GFCCVEGCSA-N 0 3 241.331 0.781 20 0 BCADHN CCOCCN1CCCN([C@H](C)CO)CC1 ZINC000372752971 170398634 /nfs/dbraw/zinc/39/86/34/170398634.db2.gz TZMWZIFPHLAWRU-GFCCVEGCSA-N 0 3 230.352 0.411 20 0 BCADHN CCOCCN1CCCN([C@@H](C)CO)CC1 ZINC000372752972 170398894 /nfs/dbraw/zinc/39/88/94/170398894.db2.gz TZMWZIFPHLAWRU-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN CCOCCNC(=O)CN[C@H]1CSC[C@H]1C ZINC000309907172 170405980 /nfs/dbraw/zinc/40/59/80/170405980.db2.gz KYHYTXOIDCUDIR-ZJUUUORDSA-N 0 3 246.376 0.480 20 0 BCADHN Cn1nccc1CNCCOCCF ZINC000663339833 411628983 /nfs/dbraw/zinc/62/89/83/411628983.db2.gz DNDIDHHMMPRQAB-UHFFFAOYSA-N 0 3 201.245 0.496 20 0 BCADHN OCCOCCN1C[C@@H]2C[C@H]1CS2 ZINC000660779667 411629267 /nfs/dbraw/zinc/62/92/67/411629267.db2.gz GODRVXVABKFDSD-IUCAKERBSA-N 0 3 203.307 0.185 20 0 BCADHN Cc1cc(NC(=O)[C@H](N)C2CCC2)n[nH]1 ZINC000399048685 411629757 /nfs/dbraw/zinc/62/97/57/411629757.db2.gz UHTSPESKDKOQNT-SECBINFHSA-N 0 3 208.265 0.784 20 0 BCADHN Cc1n[nH]cc1CNCCOCCF ZINC000663341473 411630665 /nfs/dbraw/zinc/63/06/65/411630665.db2.gz YUOACVOTZOEDPS-UHFFFAOYSA-N 0 3 201.245 0.794 20 0 BCADHN CCn1cc(CNCCOCCF)cn1 ZINC000663340611 411631532 /nfs/dbraw/zinc/63/15/32/411631532.db2.gz QYSGPGKLOJCYQF-UHFFFAOYSA-N 0 3 215.272 0.979 20 0 BCADHN Cn1nnc2c1ncnc2NCCN1CCCC1 ZINC000663347766 411633370 /nfs/dbraw/zinc/63/33/70/411633370.db2.gz UUTFTYRICMWYIH-UHFFFAOYSA-N 0 3 247.306 0.266 20 0 BCADHN CCN(C)C(=O)CN1CCCN(CC)C[C@@H]1C ZINC000660793288 411635371 /nfs/dbraw/zinc/63/53/71/411635371.db2.gz SDHKQAANSDVJIE-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CC(C)[C@@H](O)CN1C[C@@H]2[C@H](C1)OCCN2C ZINC000660796726 411635616 /nfs/dbraw/zinc/63/56/16/411635616.db2.gz WLGHCDLJDBRGPK-WOPDTQHZSA-N 0 3 228.336 0.018 20 0 BCADHN CCN1CCCN(CC(=O)NC2CC2)[C@H](C)C1 ZINC000660793948 411635986 /nfs/dbraw/zinc/63/59/86/411635986.db2.gz IOIYPYWZXXDVHA-LLVKDONJSA-N 0 3 239.363 0.681 20 0 BCADHN CCN1CCCN(CC(=O)NC2CC2)[C@@H](C)C1 ZINC000660793949 411636219 /nfs/dbraw/zinc/63/62/19/411636219.db2.gz IOIYPYWZXXDVHA-NSHDSACASA-N 0 3 239.363 0.681 20 0 BCADHN C[C@H]1CN(CC2(C)COC2)[C@@H](C)CN1CCO ZINC000660822826 411647157 /nfs/dbraw/zinc/64/71/57/411647157.db2.gz AIUVUDRJJNYROK-RYUDHWBXSA-N 0 3 242.363 0.410 20 0 BCADHN O[C@H](CNCCOCCF)C(F)(F)F ZINC000663375111 411640590 /nfs/dbraw/zinc/64/05/90/411640590.db2.gz ASCUKDSPUDNJIC-ZCFIWIBFSA-N 0 3 219.178 0.485 20 0 BCADHN Cc1nc([C@H]2CCN(Cc3cn[nH]c3)C2)n[nH]1 ZINC000660805056 411640643 /nfs/dbraw/zinc/64/06/43/411640643.db2.gz JQOFUEWWVILZAP-JTQLQIEISA-N 0 3 232.291 0.826 20 0 BCADHN Cc1n[nH]c([C@H]2CCN(Cc3cn[nH]c3)C2)n1 ZINC000660805056 411640647 /nfs/dbraw/zinc/64/06/47/411640647.db2.gz JQOFUEWWVILZAP-JTQLQIEISA-N 0 3 232.291 0.826 20 0 BCADHN Cc1nnc([C@H]2CCN(Cc3cn[nH]c3)C2)[nH]1 ZINC000660805056 411640653 /nfs/dbraw/zinc/64/06/53/411640653.db2.gz JQOFUEWWVILZAP-JTQLQIEISA-N 0 3 232.291 0.826 20 0 BCADHN C[C@@H]1CN(CCO)[C@@H](C)CN1CC1(C)COC1 ZINC000660822824 411647259 /nfs/dbraw/zinc/64/72/59/411647259.db2.gz AIUVUDRJJNYROK-NWDGAFQWSA-N 0 3 242.363 0.410 20 0 BCADHN C[C@H](O)[C@H]1CN([C@@H]2CCO[C@H](C)C2)CCO1 ZINC000660812423 411641815 /nfs/dbraw/zinc/64/18/15/411641815.db2.gz NUEIIGUTBXUCBJ-WRWGMCAJSA-N 0 3 229.320 0.636 20 0 BCADHN C[C@H]1CCC[C@@H](CNCc2cnnn2C)O1 ZINC000657663346 411576705 /nfs/dbraw/zinc/57/67/05/411576705.db2.gz FOXXKCUTSUDEFL-ONGXEEELSA-N 0 3 224.308 0.862 20 0 BCADHN CCN1CC[C@@H](N(C)CCCCO)C1=O ZINC000660391718 411578577 /nfs/dbraw/zinc/57/85/77/411578577.db2.gz BFCSGYJZNQJHTG-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN Nc1cccc(CN2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000660396515 411578877 /nfs/dbraw/zinc/57/88/77/411578877.db2.gz QTBZVCZZERTUCA-AAEUAGOBSA-N 0 3 236.315 0.444 20 0 BCADHN CCN1OC[C@H](N[C@@H]2CCOC[C@H]2C)C1=O ZINC000660417528 411582366 /nfs/dbraw/zinc/58/23/66/411582366.db2.gz DJWMBQONHURIMF-BBBLOLIVSA-N 0 3 228.292 0.163 20 0 BCADHN C[C@H]1CN(CCc2c[nH]nn2)C[C@H](C2CC2)O1 ZINC000660446167 411586436 /nfs/dbraw/zinc/58/64/36/411586436.db2.gz QEFHTJAOYYFJMB-JOYOIKCWSA-N 0 3 236.319 0.847 20 0 BCADHN C[C@H]1CN(C)C[C@H]1NCc1ncccn1 ZINC000657734488 411589850 /nfs/dbraw/zinc/58/98/50/411589850.db2.gz BYKJFCXOABZKST-VHSXEESVSA-N 0 3 206.293 0.516 20 0 BCADHN CCS(=O)(=O)C1(CN[C@H]2CO[C@@H](C)C2)CC1 ZINC000657758935 411590715 /nfs/dbraw/zinc/59/07/15/411590715.db2.gz PNRLSASAWOSSSV-VHSXEESVSA-N 0 3 247.360 0.721 20 0 BCADHN CCS(=O)(=O)C1(CN[C@H]2CCO[C@H]2C)CC1 ZINC000657759153 411590752 /nfs/dbraw/zinc/59/07/52/411590752.db2.gz OFDRCDJAKTZZGH-UWVGGRQHSA-N 0 3 247.360 0.721 20 0 BCADHN OC[C@@]1(F)CCN(CC2(O)CCSCC2)C1 ZINC000660490254 411593757 /nfs/dbraw/zinc/59/37/57/411593757.db2.gz ZCPLQQHSHICWPY-SNVBAGLBSA-N 0 3 249.351 0.651 20 0 BCADHN Cn1cc(CNC[C@@H]2CCOC2(C)C)nn1 ZINC000657784867 411595075 /nfs/dbraw/zinc/59/50/75/411595075.db2.gz GWWXWUMRIOLGEK-VIFPVBQESA-N 0 3 224.308 0.720 20 0 BCADHN COC[C@@H](CN[C@@](C)(C(N)=O)C(C)C)OC ZINC000660540718 411597072 /nfs/dbraw/zinc/59/70/72/411597072.db2.gz FJUKRSASKULSJW-MWLCHTKSSA-N 0 3 232.324 0.137 20 0 BCADHN CCN1CCN(CCc2cn[nH]n2)[C@@H](C)C1 ZINC000660537599 411597384 /nfs/dbraw/zinc/59/73/84/411597384.db2.gz LQMWLUKUVCEAKJ-JTQLQIEISA-N 0 3 223.324 0.373 20 0 BCADHN C[C@H](O)CCN1CCC(c2nc(N)n[nH]2)CC1 ZINC000660565492 411600730 /nfs/dbraw/zinc/60/07/30/411600730.db2.gz RFXADRAKBISLFU-QMMMGPOBSA-N 0 3 239.323 0.337 20 0 BCADHN Cn1nnc2cc(CN[C@H]3C[C@H](O)C3)ccc21 ZINC000657809418 411601670 /nfs/dbraw/zinc/60/16/70/411601670.db2.gz JTXPNGCAPJQZHG-MGCOHNPYSA-N 0 3 232.287 0.581 20 0 BCADHN CN(C)C(=O)c1ccc(CN[C@H]2C[C@H](O)C2)[nH]1 ZINC000657808980 411601674 /nfs/dbraw/zinc/60/16/74/411601674.db2.gz DIDIQNBDGVNFCG-MGCOHNPYSA-N 0 3 237.303 0.329 20 0 BCADHN CN(C)c1ccncc1CN[C@H]1C[C@H](O)C1 ZINC000657809867 411602470 /nfs/dbraw/zinc/60/24/70/411602470.db2.gz RUNMNIAUNCZXNV-XYPYZODXSA-N 0 3 221.304 0.761 20 0 BCADHN COC[C@H](CN1CC[C@H](n2cccn2)C1)OC ZINC000660596724 411605251 /nfs/dbraw/zinc/60/52/51/411605251.db2.gz MTFVUZNQZHVYQU-RYUDHWBXSA-N 0 3 239.319 0.791 20 0 BCADHN CCN(CCc1cn[nH]n1)[C@H]1CCOC1 ZINC000660598148 411605708 /nfs/dbraw/zinc/60/57/08/411605708.db2.gz XGHVRRZGXHSPLT-JTQLQIEISA-N 0 3 210.281 0.458 20 0 BCADHN CCCNC(=O)CN[C@H]1COC2(CCC2)C1 ZINC000657823761 411607284 /nfs/dbraw/zinc/60/72/84/411607284.db2.gz BEFMFAVHMKQOHY-SNVBAGLBSA-N 0 3 226.320 0.814 20 0 BCADHN C[C@@H]1CN(CCN2C(=O)CN(C)C2=O)[C@@H]1C ZINC000660639778 411611038 /nfs/dbraw/zinc/61/10/38/411611038.db2.gz KWINEDYLGRBJLA-RKDXNWHRSA-N 0 3 225.292 0.221 20 0 BCADHN C[C@@H](CO)CN[C@H]1CCCn2nccc21 ZINC000657847988 411611375 /nfs/dbraw/zinc/61/13/75/411611375.db2.gz ZDXZIBQTJHXOKP-ZJUUUORDSA-N 0 3 209.293 0.936 20 0 BCADHN COC[C@H](CN(C)CC(C)(C)CO)OC ZINC000660671709 411613024 /nfs/dbraw/zinc/61/30/24/411613024.db2.gz QHIVHKKONFZAPO-JTQLQIEISA-N 0 3 219.325 0.598 20 0 BCADHN COC[C@@H](CN(C)CC(C)(C)CO)OC ZINC000660671710 411613386 /nfs/dbraw/zinc/61/33/86/411613386.db2.gz QHIVHKKONFZAPO-SNVBAGLBSA-N 0 3 219.325 0.598 20 0 BCADHN CN1C[C@@H](N[C@@H]2COC3(CCC3)C2)CC1=O ZINC000657865785 411613499 /nfs/dbraw/zinc/61/34/99/411613499.db2.gz WQEOYWVNFJERMA-UWVGGRQHSA-N 0 3 224.304 0.518 20 0 BCADHN CCO[C@@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366522276 170473476 /nfs/dbraw/zinc/47/34/76/170473476.db2.gz MWCLEPCHFVKTIK-CIUDSAMLSA-N 0 3 218.272 0.228 20 0 BCADHN C[C@@H]1CN(Cc2cn(C)cn2)C[C@H](C)N1C ZINC000660659390 411613918 /nfs/dbraw/zinc/61/39/18/411613918.db2.gz XYHPEKNGVFRKEV-PHIMTYICSA-N 0 3 222.336 0.945 20 0 BCADHN CC1(C)C[C@H](N2CCOC[C@H](O)C2)CO1 ZINC000660668867 411615799 /nfs/dbraw/zinc/61/57/99/411615799.db2.gz LBXZSCBQPAMSFQ-VHSXEESVSA-N 0 3 215.293 0.247 20 0 BCADHN CCN1CC[C@H](N2CC[C@@](C)(COC)C2)C1=O ZINC000660668795 411616084 /nfs/dbraw/zinc/61/60/84/411616084.db2.gz KHPWAZWKPYALMT-WCQYABFASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1[C@H](O)CCN1CCO[C@@H]1CC1(F)F ZINC000660735654 411619816 /nfs/dbraw/zinc/61/98/16/411619816.db2.gz DPZGXALARRDSLV-IWSPIJDZSA-N 0 3 221.247 0.866 20 0 BCADHN CC[C@H](C)N1CCN(CCc2cn[nH]n2)CC1 ZINC000660736215 411620007 /nfs/dbraw/zinc/62/00/07/411620007.db2.gz HAFZZBTYFLRGAI-NSHDSACASA-N 0 3 237.351 0.763 20 0 BCADHN CO[C@H](CN1C[C@@H](O)[C@H](OC)C1)C1CCCC1 ZINC000660736005 411620066 /nfs/dbraw/zinc/62/00/66/411620066.db2.gz NUUJHOLLRKHYQY-JHJVBQTASA-N 0 3 243.347 0.883 20 0 BCADHN NC(=O)C[C@@H]1COCCN1CC1CC=CC1 ZINC000660762743 411620888 /nfs/dbraw/zinc/62/08/88/411620888.db2.gz OYPRVSLDIAHAAG-LLVKDONJSA-N 0 3 224.304 0.529 20 0 BCADHN CCN1CC[C@H](N2C[C@H](O)C[C@H](C)C2)C1=O ZINC000660757429 411620962 /nfs/dbraw/zinc/62/09/62/411620962.db2.gz LTZAGAXCCWPXSH-AXFHLTTASA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@]1([N-]S(=O)(=O)c2cscn2)CC[NH2+]C1 ZINC000663310634 411621547 /nfs/dbraw/zinc/62/15/47/411621547.db2.gz DPNKHULPLIGOFZ-MRVPVSSYSA-N 0 3 247.345 0.173 20 0 BCADHN CN(CC[C@@H]1CCNC1=O)Cc1cnc[nH]1 ZINC000661089930 411703868 /nfs/dbraw/zinc/70/38/68/411703868.db2.gz JSVYLRDNOPBACZ-VIFPVBQESA-N 0 3 222.292 0.368 20 0 BCADHN CO[C@@H](CN(C)Cc1cnc[nH]1)[C@@H]1CCOC1 ZINC000661094477 411704444 /nfs/dbraw/zinc/70/44/44/411704444.db2.gz XGNJCWDCRICXTJ-PWSUYJOCSA-N 0 3 239.319 0.893 20 0 BCADHN CO[C@@H](CN(C)Cc1cnc[nH]1)[C@H]1CCOC1 ZINC000661094476 411704563 /nfs/dbraw/zinc/70/45/63/411704563.db2.gz XGNJCWDCRICXTJ-JQWIXIFHSA-N 0 3 239.319 0.893 20 0 BCADHN c1cnnc(NC2CCN(C3CC3)CC2)c1 ZINC000381288651 411705743 /nfs/dbraw/zinc/70/57/43/411705743.db2.gz AXKBZXUKZBKGDD-UHFFFAOYSA-N 0 3 218.304 1.515 20 0 BCADHN OCCOCCN(Cc1cnc[nH]1)C1CCC1 ZINC000661099733 411707253 /nfs/dbraw/zinc/70/72/53/411707253.db2.gz QELZFVDIPJTTPP-UHFFFAOYSA-N 0 3 239.319 0.773 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2cc(C)nc(C)n2)C1 ZINC000660831748 411648342 /nfs/dbraw/zinc/64/83/42/411648342.db2.gz GYLRJFNIKKUFAZ-NSHDSACASA-N 0 3 248.330 0.661 20 0 BCADHN CCc1nocc1CN1CC[C@@H](C(=O)NC)C1 ZINC000660831143 411648571 /nfs/dbraw/zinc/64/85/71/411648571.db2.gz DBQHNGNSSXHSEI-SECBINFHSA-N 0 3 237.303 0.805 20 0 BCADHN CCN[C@H](C)C(=O)Nc1cc(CC(C)C)[nH]n1 ZINC000638443891 411650162 /nfs/dbraw/zinc/65/01/62/411650162.db2.gz VHEMIHRCNXIESQ-SECBINFHSA-N 0 3 238.335 1.545 20 0 BCADHN CCC(CC)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663408532 411650534 /nfs/dbraw/zinc/65/05/34/411650534.db2.gz RPVLXKUARMCXBD-QWRGUYRKSA-N 0 3 243.351 0.491 20 0 BCADHN CCN1CC[C@H](N(C)C[C@@H]2CCCN2C)C1=O ZINC000660834946 411651695 /nfs/dbraw/zinc/65/16/95/411651695.db2.gz BPPGEOCKEVIVMF-RYUDHWBXSA-N 0 3 239.363 0.633 20 0 BCADHN CCc1ncc(NC(=O)[C@H](C)NC)cn1 ZINC000568230988 322929262 /nfs/dbraw/zinc/92/92/62/322929262.db2.gz JBKCAWYNUYPSCK-ZETCQYMHSA-N 0 3 208.265 0.585 20 0 BCADHN CO[C@H](CN1CC(C)(C(N)=O)C1)C1CCC1 ZINC000660897764 411664026 /nfs/dbraw/zinc/66/40/26/411664026.db2.gz FIZYHNADDQRZOX-SNVBAGLBSA-N 0 3 226.320 0.609 20 0 BCADHN CO[C@@H](CN[C@@H]1COC[C@H]1OC)[C@H]1CCOC1 ZINC000660902116 411664970 /nfs/dbraw/zinc/66/49/70/411664970.db2.gz JRHZSPXRFAVQKX-WHOHXGKFSA-N 0 3 245.319 0.041 20 0 BCADHN O=C1C[C@H](CN2CCOC[C@H]2C2CCC2)CN1 ZINC000660901603 411665153 /nfs/dbraw/zinc/66/51/53/411665153.db2.gz FAGMMUYHTLYSFT-JQWIXIFHSA-N 0 3 238.331 0.623 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCO[C@H]1CC1(F)F ZINC000660899929 411665641 /nfs/dbraw/zinc/66/56/41/411665641.db2.gz FAWSEFMPJGMPGX-HLTSFMKQSA-N 0 3 237.246 0.414 20 0 BCADHN CO[C@@H](CN(C)CCNC(C)=O)C1CCC1 ZINC000660904554 411667214 /nfs/dbraw/zinc/66/72/14/411667214.db2.gz SMNTYLAMDGPJAA-LBPRGKRZSA-N 0 3 228.336 0.869 20 0 BCADHN O=C([C@H]1CCCS1)N1CCOC2(CNC2)C1 ZINC000663487678 411669241 /nfs/dbraw/zinc/66/92/41/411669241.db2.gz JYOZHKKEJGBSPF-SECBINFHSA-N 0 3 242.344 0.083 20 0 BCADHN O=C([C@@H]1CCCS1)N1CCOC2(CNC2)C1 ZINC000663487679 411669444 /nfs/dbraw/zinc/66/94/44/411669444.db2.gz JYOZHKKEJGBSPF-VIFPVBQESA-N 0 3 242.344 0.083 20 0 BCADHN Cc1cccnc1C(=O)N1CCOC2(CNC2)C1 ZINC000663487389 411669751 /nfs/dbraw/zinc/66/97/51/411669751.db2.gz GLTKDRXGENWEIC-UHFFFAOYSA-N 0 3 247.298 0.204 20 0 BCADHN CC(C)(C)C(=O)N1CCOC2(CNC2)C1 ZINC000663486250 411669767 /nfs/dbraw/zinc/66/97/67/411669767.db2.gz ZMXOGJCLVDVWCZ-UHFFFAOYSA-N 0 3 212.293 0.233 20 0 BCADHN Cc1cncc(C(=O)N2CCOC3(CNC3)C2)c1 ZINC000663487438 411669862 /nfs/dbraw/zinc/66/98/62/411669862.db2.gz IFDCDJOMHQGWSG-UHFFFAOYSA-N 0 3 247.298 0.204 20 0 BCADHN CCOCCCC(=O)N1CCOC2(CNC2)C1 ZINC000663488430 411671639 /nfs/dbraw/zinc/67/16/39/411671639.db2.gz DSBIADLIXHHWJV-UHFFFAOYSA-N 0 3 242.319 0.004 20 0 BCADHN OCCCN1CCC[C@@H](Nc2cccnn2)C1 ZINC000575750820 411687443 /nfs/dbraw/zinc/68/74/43/411687443.db2.gz XSLRZRLPBRSBAA-LLVKDONJSA-N 0 3 236.319 0.735 20 0 BCADHN N[C@@H]1CN(Cc2cnc3cnccn23)CC[C@H]1F ZINC000663505017 411688346 /nfs/dbraw/zinc/68/83/46/411688346.db2.gz GEJLPVLZUTUJNY-GHMZBOCLSA-N 0 3 249.293 0.600 20 0 BCADHN C[C@@H]1CN(CCN2CCC[C@@H]2CO)C[C@@H](C)O1 ZINC000314406908 411688741 /nfs/dbraw/zinc/68/87/41/411688741.db2.gz SFIMEEHSVYZACV-JHJVBQTASA-N 0 3 242.363 0.552 20 0 BCADHN c1[nH]nnc1CN1CC[C@@]2(C1)CCCOC2 ZINC000660993479 411689516 /nfs/dbraw/zinc/68/95/16/411689516.db2.gz DYKJCEITNYBPHB-LLVKDONJSA-N 0 3 222.292 0.807 20 0 BCADHN Cc1n[nH]c(C)c1CN1CC[C@@H](F)[C@H](N)C1 ZINC000663507572 411689585 /nfs/dbraw/zinc/68/95/85/411689585.db2.gz YJUFKPQYPAYFFW-GHMZBOCLSA-N 0 3 226.299 0.898 20 0 BCADHN Cc1noc(C)c1CN1CCOC2(CNC2)C1 ZINC000663514597 411694373 /nfs/dbraw/zinc/69/43/73/411694373.db2.gz WUNZUPWYYNAPFA-UHFFFAOYSA-N 0 3 237.303 0.466 20 0 BCADHN Fc1ccccc1CN1CCOC2(CNC2)C1 ZINC000663514622 411695434 /nfs/dbraw/zinc/69/54/34/411695434.db2.gz XMTLSLDCBMCHDI-UHFFFAOYSA-N 0 3 236.290 1.000 20 0 BCADHN CN(C)C(=O)CCN(C)Cc1cnc[nH]1 ZINC000661087632 411698417 /nfs/dbraw/zinc/69/84/17/411698417.db2.gz WDZZWJZQUIFSHK-UHFFFAOYSA-N 0 3 210.281 0.320 20 0 BCADHN CN(Cc1cnc[nH]1)Cc1ccn(C)c(=O)c1 ZINC000661086675 411700394 /nfs/dbraw/zinc/70/03/94/411700394.db2.gz DLHFMEFSBPOTAC-UHFFFAOYSA-N 0 3 232.287 0.740 20 0 BCADHN CC[C@@H](C(N)=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000661503282 411791705 /nfs/dbraw/zinc/79/17/05/411791705.db2.gz XDBRQMNDPMTENG-ZMLRMANQSA-N 0 3 226.320 0.609 20 0 BCADHN Cc1cnc(NCCN2CC[C@H](O)C2)nc1 ZINC000624774899 411734840 /nfs/dbraw/zinc/73/48/40/411734840.db2.gz SYQNHZBASPVJTD-JTQLQIEISA-N 0 3 222.292 0.264 20 0 BCADHN Cc1cn2ccc(C(=O)NCCN(C)C)cc2n1 ZINC000071540810 411742796 /nfs/dbraw/zinc/74/27/96/411742796.db2.gz QZMNONYINZQYCG-UHFFFAOYSA-N 0 3 246.314 0.934 20 0 BCADHN CCO[C@H]1C[C@H](NC(=O)NC[C@H](C)N(C)C)C1 ZINC000661274167 411747418 /nfs/dbraw/zinc/74/74/18/411747418.db2.gz FIKAGRSNUIIQRX-DCAQKATOSA-N 0 3 243.351 0.803 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000565773613 411751150 /nfs/dbraw/zinc/75/11/50/411751150.db2.gz RRFGKUQTZLESPA-BYPYZUCNSA-N 0 3 236.197 1.104 20 0 BCADHN CCc1[nH]nc(NC(=O)C2(N)CCC2)c1C ZINC000335381848 411756431 /nfs/dbraw/zinc/75/64/31/411756431.db2.gz WCSCHEMZYAHVCC-UHFFFAOYSA-N 0 3 222.292 1.100 20 0 BCADHN CCS(=O)(=O)C1C[C@H]2CCCC[C@@H]2NC1=O ZINC000332674695 170622840 /nfs/dbraw/zinc/62/28/40/170622840.db2.gz CPRDZPFCPDWTGU-KXUCPTDWSA-N 0 3 245.344 0.868 20 0 BCADHN Cc1cc(N[C@@H](CO)CN(C)C)ncn1 ZINC000663910860 411771328 /nfs/dbraw/zinc/77/13/28/411771328.db2.gz QJTDKTDGPOBXOY-SECBINFHSA-N 0 3 210.281 0.119 20 0 BCADHN CCN(CCNCc1ncnn1C)C1CC1 ZINC000218327156 411793521 /nfs/dbraw/zinc/79/35/21/411793521.db2.gz QQPLVMAFJUIPHP-UHFFFAOYSA-N 0 3 223.324 0.389 20 0 BCADHN Cc1ccc(N[C@H](CO)CN(C)C)nn1 ZINC000663911168 411773082 /nfs/dbraw/zinc/77/30/82/411773082.db2.gz ZGAOXTABBMPKQH-VIFPVBQESA-N 0 3 210.281 0.119 20 0 BCADHN CCCNC(=O)CN1CCCC[C@@H]1[C@@H](C)CO ZINC000661431038 411773481 /nfs/dbraw/zinc/77/34/81/411773481.db2.gz BFABUJJWFSWHCB-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN CCN(CCNCc1ncnn1CC)C1CC1 ZINC000218294217 411773778 /nfs/dbraw/zinc/77/37/78/411773778.db2.gz OQNCZODNEXWGCE-UHFFFAOYSA-N 0 3 237.351 0.872 20 0 BCADHN CCN(C)C(=O)CN1CCCC[C@@H]1[C@H](C)CO ZINC000661434642 411773795 /nfs/dbraw/zinc/77/37/95/411773795.db2.gz HQAZLWLLLFIJLM-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN COC[C@H](O)CN1CC2(CCC2)OC[C@@H]1C ZINC000661463001 411781064 /nfs/dbraw/zinc/78/10/64/411781064.db2.gz LZQDPAVCKUOTTK-WDEREUQCSA-N 0 3 229.320 0.637 20 0 BCADHN CCc1nc(C#N)cc(NCC2(N(C)C)CC2)n1 ZINC000397896451 411782805 /nfs/dbraw/zinc/78/28/05/411782805.db2.gz RFSOKTQBPXRDEO-UHFFFAOYSA-N 0 3 245.330 1.417 20 0 BCADHN C[C@@H]1CCCN(CC(=O)N(C)C)[C@@H]1CCO ZINC000661488932 411785553 /nfs/dbraw/zinc/78/55/53/411785553.db2.gz ZBPUBTGSRPMQRI-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN CN(C(=O)CN[C@@H](CO)C1CCC1)C1CC1 ZINC000661151687 411721136 /nfs/dbraw/zinc/72/11/36/411721136.db2.gz LCLCLMIAQHJPIX-NSHDSACASA-N 0 3 226.320 0.358 20 0 BCADHN O=C(CN[C@H](CO)C1CCC1)N1CCCCC1 ZINC000661156387 411722772 /nfs/dbraw/zinc/72/27/72/411722772.db2.gz UNUHVVUKUZEEHV-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN COC[C@@H](NCc1cn[nH]n1)C1CCOCC1 ZINC000661160268 411724924 /nfs/dbraw/zinc/72/49/24/411724924.db2.gz WQMZFYRHRKOWLC-LLVKDONJSA-N 0 3 240.307 0.336 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(NC)nc1 ZINC000564187377 411726568 /nfs/dbraw/zinc/72/65/68/411726568.db2.gz GWQRLLBAKUUSQN-MRVPVSSYSA-N 0 3 208.265 0.799 20 0 BCADHN C[C@]1(C2CC2)CN(CCc2c[nH]nn2)CCO1 ZINC000661170758 411728018 /nfs/dbraw/zinc/72/80/18/411728018.db2.gz ICZHKRJBCHEKCH-GFCCVEGCSA-N 0 3 236.319 0.848 20 0 BCADHN COCCN1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639823236 411864364 /nfs/dbraw/zinc/86/43/64/411864364.db2.gz XJADZROPGBIDNL-MRVPVSSYSA-N 0 3 226.280 0.478 20 0 BCADHN Cc1nnc(NCCN2CCC[C@@H](C)C2)o1 ZINC000336776229 411796189 /nfs/dbraw/zinc/79/61/89/411796189.db2.gz FEMQFAVMZKZIRZ-SECBINFHSA-N 0 3 224.308 1.522 20 0 BCADHN Cc1nnc([N-][C@@H]2C[N@H+](C(C)C)C[C@H]2C)o1 ZINC000328616572 411799472 /nfs/dbraw/zinc/79/94/72/411799472.db2.gz SRHMWNDCNSGRAR-PSASIEDQSA-N 0 3 224.308 1.519 20 0 BCADHN Cc1nnc([N-][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)o1 ZINC000328616572 411799477 /nfs/dbraw/zinc/79/94/77/411799477.db2.gz SRHMWNDCNSGRAR-PSASIEDQSA-N 0 3 224.308 1.519 20 0 BCADHN Cc1nnc([N-][C@H]2C[N@H+](C(C)C)C[C@@H]2C)o1 ZINC000328616575 411800069 /nfs/dbraw/zinc/80/00/69/411800069.db2.gz SRHMWNDCNSGRAR-WPRPVWTQSA-N 0 3 224.308 1.519 20 0 BCADHN Cc1nnc([N-][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)o1 ZINC000328616575 411800072 /nfs/dbraw/zinc/80/00/72/411800072.db2.gz SRHMWNDCNSGRAR-WPRPVWTQSA-N 0 3 224.308 1.519 20 0 BCADHN CCOCCN1CCC[C@H](c2nnc(N)o2)C1 ZINC000639821372 411865446 /nfs/dbraw/zinc/86/54/46/411865446.db2.gz JDNACIOVRPRITN-VIFPVBQESA-N 0 3 240.307 0.868 20 0 BCADHN COCCCN(C)C[C@@H]1COCCO1 ZINC000661606995 411813556 /nfs/dbraw/zinc/81/35/56/411813556.db2.gz PLQBRHJGSSTYGQ-SNVBAGLBSA-N 0 3 203.282 0.370 20 0 BCADHN CCN(C)C(=O)CCN(C)C[C@H]1COCCO1 ZINC000661604863 411814555 /nfs/dbraw/zinc/81/45/55/411814555.db2.gz MTWQIRHIMVVSOW-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN C[C@@H]1CC[C@H](CN(C)C[C@H]2COCCO2)O1 ZINC000661609493 411815503 /nfs/dbraw/zinc/81/55/03/411815503.db2.gz ATZRUGPBBOCPPL-UTUOFQBUSA-N 0 3 229.320 0.901 20 0 BCADHN CC(C)[C@H](O)CN(C)C[C@@H]1COCCO1 ZINC000661613345 411816415 /nfs/dbraw/zinc/81/64/15/411816415.db2.gz XXUHGFXGKLWPTF-GHMZBOCLSA-N 0 3 217.309 0.351 20 0 BCADHN CC(C)N1CCCC[C@H]1Cn1c(=O)ncn1C ZINC000664021706 411816745 /nfs/dbraw/zinc/81/67/45/411816745.db2.gz IGIPBXZHIDGWRI-NSHDSACASA-N 0 3 238.335 0.845 20 0 BCADHN CN(CCc1ccnn1C)C[C@H]1COCCO1 ZINC000661613588 411816882 /nfs/dbraw/zinc/81/68/82/411816882.db2.gz ZCHKGRAOAQIHGF-LBPRGKRZSA-N 0 3 239.319 0.310 20 0 BCADHN C[C@@H](O)CCN(C)C[C@H]1COCCO1 ZINC000661610514 411816916 /nfs/dbraw/zinc/81/69/16/411816916.db2.gz DUOJJOPOEDEXKQ-ZJUUUORDSA-N 0 3 203.282 0.105 20 0 BCADHN CN(CCn1ccnc1)C[C@@H]1COCCO1 ZINC000661612302 411817023 /nfs/dbraw/zinc/81/70/23/411817023.db2.gz QISSAWHPCRITKQ-LLVKDONJSA-N 0 3 225.292 0.230 20 0 BCADHN CN(C[C@@H]1COCCO1)[C@@H]1CCCOC1 ZINC000661614265 411818184 /nfs/dbraw/zinc/81/81/84/411818184.db2.gz WUTYRPNIKUTFPW-GHMZBOCLSA-N 0 3 215.293 0.513 20 0 BCADHN CC[C@@H](CN(C)C[C@@H]1COCCO1)OC ZINC000661615136 411818866 /nfs/dbraw/zinc/81/88/66/411818866.db2.gz WULMDDOWXYIOST-WDEREUQCSA-N 0 3 217.309 0.759 20 0 BCADHN OCC1(O)CCN(CCOC2CCC2)CC1 ZINC000661619235 411819033 /nfs/dbraw/zinc/81/90/33/411819033.db2.gz IIXZXPLYZYWDGX-UHFFFAOYSA-N 0 3 229.320 0.375 20 0 BCADHN C[C@@H](CNC(=O)Nc1nncs1)N(C)C ZINC000337593674 411819109 /nfs/dbraw/zinc/81/91/09/411819109.db2.gz IRTCPAQSNGRFKO-LURJTMIESA-N 0 3 229.309 0.610 20 0 BCADHN C[C@@H]1CN(Cc2cnc[nH]2)C[C@H](C)[C@H]1O ZINC000661621031 411820117 /nfs/dbraw/zinc/82/01/17/411820117.db2.gz CQKYLTMWPUPBCE-JZYVYDRUSA-N 0 3 209.293 0.858 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H](C)[C@H]1O ZINC000661621406 411820942 /nfs/dbraw/zinc/82/09/42/411820942.db2.gz DMJILYARXYKVDX-KXNHARMFSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@@H]1CN(CCN2CCCC2=O)C[C@@H](C)C1O ZINC000661627863 411824099 /nfs/dbraw/zinc/82/40/99/411824099.db2.gz CSMTWLSGUVOJTN-GHMZBOCLSA-N 0 3 240.347 0.558 20 0 BCADHN CC(C)NC(=O)CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000661697688 411834092 /nfs/dbraw/zinc/83/40/92/411834092.db2.gz PLMDJDGKCVRXGQ-ZYHUDNBSSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@@H]1CN(C(=O)Nc2cccnn2)[C@@H](C)CN1 ZINC000415252811 411838251 /nfs/dbraw/zinc/83/82/51/411838251.db2.gz AUGZTCJDNDIPKT-BDAKNGLRSA-N 0 3 235.291 0.691 20 0 BCADHN C[C@@H](C(N)=O)N1CCC[C@@H](CCF)C1 ZINC000661690447 411841617 /nfs/dbraw/zinc/84/16/17/411841617.db2.gz NGKCQXBSZFOKPM-IUCAKERBSA-N 0 3 202.273 0.932 20 0 BCADHN O=C1NCC[C@@H]1N1CCC[C@@H](CCF)C1 ZINC000661692638 411841841 /nfs/dbraw/zinc/84/18/41/411841841.db2.gz IICVVZPXISISBM-UWVGGRQHSA-N 0 3 214.284 0.947 20 0 BCADHN CCCCNC(=O)CN1C[C@H]2COC[C@]2(C)C1 ZINC000661698687 411844848 /nfs/dbraw/zinc/84/48/48/411844848.db2.gz SOCPNUQZJBCXOO-AAEUAGOBSA-N 0 3 240.347 0.871 20 0 BCADHN Cn1cc(CN2C[C@@H]3COC[C@@]3(C)C2)cn1 ZINC000661700907 411845010 /nfs/dbraw/zinc/84/50/10/411845010.db2.gz DSFGMXMSGMPJIT-VXGBXAGGSA-N 0 3 221.304 0.888 20 0 BCADHN Cn1nccc1CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000661697399 411845951 /nfs/dbraw/zinc/84/59/51/411845951.db2.gz BXUYFTQWDCKAIY-ZYHUDNBSSA-N 0 3 221.304 0.888 20 0 BCADHN Cn1cc(CN2C[C@H]3COC[C@]3(C)C2)cn1 ZINC000661700906 411846384 /nfs/dbraw/zinc/84/63/84/411846384.db2.gz DSFGMXMSGMPJIT-RYUDHWBXSA-N 0 3 221.304 0.888 20 0 BCADHN CCCNC(=O)CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000661701284 411847094 /nfs/dbraw/zinc/84/70/94/411847094.db2.gz ZFCDZHLHFCHJQX-ZYHUDNBSSA-N 0 3 226.320 0.481 20 0 BCADHN COC(=O)[C@@]1(C)CCN(Cc2ccc(N)nc2)C1 ZINC000592430280 411848499 /nfs/dbraw/zinc/84/84/99/411848499.db2.gz SNOSDGCWUCFJKR-ZDUSSCGKSA-N 0 3 249.314 1.049 20 0 BCADHN CO[C@H](C)CNC(=O)N(C)C[C@H]1CCCN1C ZINC000661702574 411848588 /nfs/dbraw/zinc/84/85/88/411848588.db2.gz XZODWGMGRLYGCH-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN CCN(C)C(=O)CN1C[C@@H]2COC[C@]2(C)C1 ZINC000661707000 411851201 /nfs/dbraw/zinc/85/12/01/411851201.db2.gz PZIXJCHEAGJWJM-PWSUYJOCSA-N 0 3 226.320 0.433 20 0 BCADHN CN(C(=O)CN1C[C@H]2COC[C@@]2(C)C1)C1CC1 ZINC000661708343 411851451 /nfs/dbraw/zinc/85/14/51/411851451.db2.gz VKMOILMITJRSQE-GXFFZTMASA-N 0 3 238.331 0.576 20 0 BCADHN CCNCc1cn(Cc2ccnc(N)c2)nn1 ZINC000641068020 411859462 /nfs/dbraw/zinc/85/94/62/411859462.db2.gz HLGDNJFCJVYCOV-UHFFFAOYSA-N 0 3 232.291 0.413 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)c1nccc(N)n1 ZINC000638856671 411859701 /nfs/dbraw/zinc/85/97/01/411859701.db2.gz QVNXRTFPWQMYFN-YUMQZZPRSA-N 0 3 237.307 0.234 20 0 BCADHN O=C(NC/C=C/CO)N[C@H]1CCN(C2CC2)C1 ZINC000664127504 411863141 /nfs/dbraw/zinc/86/31/41/411863141.db2.gz HRIOMZAIBCJOOR-YOLVWIGZSA-N 0 3 239.319 0.071 20 0 BCADHN CC[C@@H](O)CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000664219616 411887847 /nfs/dbraw/zinc/88/78/47/411887847.db2.gz SLYWTSKQCVFSLC-HBNTYKKESA-N 0 3 243.351 0.539 20 0 BCADHN C[C@@H](NC(=O)[C@H]1CCCCN1)c1nccc(N)n1 ZINC000638858310 411888410 /nfs/dbraw/zinc/88/84/10/411888410.db2.gz NGSACEPHXQCJHP-RKDXNWHRSA-N 0 3 249.318 0.378 20 0 BCADHN C[C@@H](O)CCN1CCC(c2nnc(N)o2)CC1 ZINC000639724899 411890005 /nfs/dbraw/zinc/89/00/05/411890005.db2.gz QZNBCLAFIANXST-MRVPVSSYSA-N 0 3 240.307 0.602 20 0 BCADHN O[C@H](CN[C@@H]1C[C@H](O)C12CCC2)C(F)(F)F ZINC000661831523 411894707 /nfs/dbraw/zinc/89/47/07/411894707.db2.gz PIXMXBNPXOFPOV-GJMOJQLCSA-N 0 3 239.237 0.803 20 0 BCADHN CCc1nc(CN[C@H]2C[C@H](O)C23CCC3)n[nH]1 ZINC000661831257 411895065 /nfs/dbraw/zinc/89/50/65/411895065.db2.gz NAAJCSUFZZYQHJ-IUCAKERBSA-N 0 3 236.319 0.760 20 0 BCADHN Cn1ncnc1C(=O)NCCN1CCCCC1 ZINC000664246209 411897316 /nfs/dbraw/zinc/89/73/16/411897316.db2.gz UOUSYCNFGMXAIT-UHFFFAOYSA-N 0 3 237.307 0.031 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1ncnn1C ZINC000664244789 411897549 /nfs/dbraw/zinc/89/75/49/411897549.db2.gz UPXVBCKKEXDLHX-VIFPVBQESA-N 0 3 237.307 0.029 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000661836507 411899317 /nfs/dbraw/zinc/89/93/17/411899317.db2.gz RKFJTZLMJDCXIA-NXEZZACHSA-N 0 3 226.320 0.358 20 0 BCADHN CCCCN(C)CCNC(=O)c1ncnn1C ZINC000664254709 411899463 /nfs/dbraw/zinc/89/94/63/411899463.db2.gz YZNFWJFEZOQQGF-UHFFFAOYSA-N 0 3 239.323 0.277 20 0 BCADHN CC(C)NC(=O)CN[C@H]1C[C@H](O)C12CCC2 ZINC000661843445 411899621 /nfs/dbraw/zinc/89/96/21/411899621.db2.gz XZZZVBBBXYPDBE-UWVGGRQHSA-N 0 3 226.320 0.404 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2ncnn2C)CN1C1CC1 ZINC000664259709 411902580 /nfs/dbraw/zinc/90/25/80/411902580.db2.gz FJGNPHGKJITJPR-DTWKUNHWSA-N 0 3 249.318 0.170 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ncnn2C)CN1C1CC1 ZINC000664259713 411902866 /nfs/dbraw/zinc/90/28/66/411902866.db2.gz FJGNPHGKJITJPR-RKDXNWHRSA-N 0 3 249.318 0.170 20 0 BCADHN C[C@@H]1CCN(CCOCCO)C[C@H](C)O1 ZINC000661851077 411903508 /nfs/dbraw/zinc/90/35/08/411903508.db2.gz OQWHWHABNYHJPZ-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN C[C@@H](NC(=O)c1ncnn1C)C1=CCN(C)CC1 ZINC000664262297 411904660 /nfs/dbraw/zinc/90/46/60/411904660.db2.gz CHYQUBKLWJEEJI-SECBINFHSA-N 0 3 249.318 0.195 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc(N)nc2)[C@H](C)CN1 ZINC000638158356 411907233 /nfs/dbraw/zinc/90/72/33/411907233.db2.gz PKROUDBMLXRQLD-RKDXNWHRSA-N 0 3 234.303 0.486 20 0 BCADHN C[C@@H]1CN(c2ncnc3nc(N)ccc32)CCN1 ZINC000420201314 411909890 /nfs/dbraw/zinc/90/98/90/411909890.db2.gz NHQCFMRWORZTQB-MRVPVSSYSA-N 0 3 244.302 0.405 20 0 BCADHN C[C@H](c1cccnc1)N1CCC(CO)(CO)C1 ZINC000661943466 411915947 /nfs/dbraw/zinc/91/59/47/411915947.db2.gz KOOCJXIKEURCFF-LLVKDONJSA-N 0 3 236.315 0.819 20 0 BCADHN C[C@@H](c1ccncc1)N1CCC(CO)(CO)C1 ZINC000661944586 411916334 /nfs/dbraw/zinc/91/63/34/411916334.db2.gz WNAACDMFCCIJFF-NSHDSACASA-N 0 3 236.315 0.819 20 0 BCADHN C[C@@]1(CO)CCCN1Cc1ccnc(N)c1 ZINC000560713614 411916942 /nfs/dbraw/zinc/91/69/42/411916942.db2.gz XXWSYIMZMMJZJN-LBPRGKRZSA-N 0 3 221.304 1.011 20 0 BCADHN OCC1(CO)CCN(CCOC2CCC2)C1 ZINC000661950626 411917854 /nfs/dbraw/zinc/91/78/54/411917854.db2.gz MCHUHZNEAOQATK-UHFFFAOYSA-N 0 3 229.320 0.232 20 0 BCADHN O=C1CCCC12CCN(CCOCCO)CC2 ZINC000661954123 411918324 /nfs/dbraw/zinc/91/83/24/411918324.db2.gz ITKGFAPCMLDCCH-UHFFFAOYSA-N 0 3 241.331 0.831 20 0 BCADHN Cc1ncccc1CN1CCC(CO)(CO)C1 ZINC000661951011 411918501 /nfs/dbraw/zinc/91/85/01/411918501.db2.gz NVABDIPTBKSZEN-UHFFFAOYSA-N 0 3 236.315 0.567 20 0 BCADHN CNC(=O)CCN1CCC2(CCCC2=O)CC1 ZINC000661954464 411918829 /nfs/dbraw/zinc/91/88/29/411918829.db2.gz XCMOXIWJLHKGHP-UHFFFAOYSA-N 0 3 238.331 0.958 20 0 BCADHN Cc1cc(N(C)CC2CN(C)C2)n2ncnc2n1 ZINC000664331833 411924547 /nfs/dbraw/zinc/92/45/47/411924547.db2.gz AWCZNWCQEAJXEJ-UHFFFAOYSA-N 0 3 246.318 0.431 20 0 BCADHN O=C1NCCN1CCN1CC[C@H]2C[C@H]2C1 ZINC000661967622 411925104 /nfs/dbraw/zinc/92/51/04/411925104.db2.gz QLELUEMXDLKYLP-UWVGGRQHSA-N 0 3 209.293 0.353 20 0 BCADHN CN1CCN(C(=O)CN2CC[C@H]3C[C@H]3C2)CC1 ZINC000661969609 411927171 /nfs/dbraw/zinc/92/71/71/411927171.db2.gz CWWPTEWEBLURDW-RYUDHWBXSA-N 0 3 237.347 0.102 20 0 BCADHN C[C@H](c1nccc(N)n1)N1CCCN(C)CC1 ZINC000577228647 411928002 /nfs/dbraw/zinc/92/80/02/411928002.db2.gz GUNIBLKFFVXUHG-SNVBAGLBSA-N 0 3 235.335 0.757 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)Nc2ccc(N)nc2)C1 ZINC000417781931 411930322 /nfs/dbraw/zinc/93/03/22/411930322.db2.gz KSXNDFZCUBMDEN-WCBMZHEXSA-N 0 3 234.303 0.990 20 0 BCADHN O=C1CNC(=O)N1CCCN1CC[C@@H]2C[C@@H]2C1 ZINC000661974843 411930907 /nfs/dbraw/zinc/93/09/07/411930907.db2.gz PSNIRIHXLVOHSR-NXEZZACHSA-N 0 3 237.303 0.270 20 0 BCADHN C[C@H]1OCC[C@@H]1CN1CCc2cnc(N)nc2C1 ZINC000639814520 411932112 /nfs/dbraw/zinc/93/21/12/411932112.db2.gz OQVSQGWMJXRNAX-MWLCHTKSSA-N 0 3 248.330 0.842 20 0 BCADHN Cc1[nH]ncc1CNC(=O)c1cnc(C)nc1N ZINC000545246863 411936561 /nfs/dbraw/zinc/93/65/61/411936561.db2.gz UZYFQCIPPLYZMJ-UHFFFAOYSA-N 0 3 246.274 0.329 20 0 BCADHN Nc1cc(CN2C[C@@H](O)C3(CC3)C2)ccn1 ZINC000369685112 411937265 /nfs/dbraw/zinc/93/72/65/411937265.db2.gz ZPNQWASZFAOLHX-SNVBAGLBSA-N 0 3 219.288 0.621 20 0 BCADHN OCCN1CCOC(C2CC2)(C2CC2)C1 ZINC000661996537 411937624 /nfs/dbraw/zinc/93/76/24/411937624.db2.gz CJSFPQCMHQRGGM-UHFFFAOYSA-N 0 3 211.305 0.870 20 0 BCADHN CSCC[C@@H](N)C(=O)Nc1ccc(N)nc1 ZINC000583872243 411871992 /nfs/dbraw/zinc/87/19/92/411871992.db2.gz VLFQZJLIXIKCKZ-MRVPVSSYSA-N 0 3 240.332 0.683 20 0 BCADHN CC(C)NCC(=O)N[C@H](C)c1nccc(N)n1 ZINC000638855686 411872049 /nfs/dbraw/zinc/87/20/49/411872049.db2.gz HNBURSZJOYKKFN-MRVPVSSYSA-N 0 3 237.307 0.234 20 0 BCADHN C[C@@H](CN(C)C)Nc1ncnc2nc(N)ccc21 ZINC000343784895 411876516 /nfs/dbraw/zinc/87/65/16/411876516.db2.gz FDODMMAMPDGAHO-QMMMGPOBSA-N 0 3 246.318 0.969 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1C[C@H](O)C(F)(F)F ZINC000661765352 411876776 /nfs/dbraw/zinc/87/67/76/411876776.db2.gz NKWNJRMJHJLLLC-PRJMDXOYSA-N 0 3 227.226 0.755 20 0 BCADHN CC(C)[C@@H]1CN(Cc2nccc(N)n2)CCN1C ZINC000351652165 411878041 /nfs/dbraw/zinc/87/80/41/411878041.db2.gz RYYMOZIECDYJSS-NSHDSACASA-N 0 3 249.362 0.831 20 0 BCADHN C[C@@H](CO)CN1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639821849 411882058 /nfs/dbraw/zinc/88/20/58/411882058.db2.gz KVAWJCPTUDZQFH-RKDXNWHRSA-N 0 3 240.307 0.460 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1CC(=O)N1CCCCC1 ZINC000661773301 411883565 /nfs/dbraw/zinc/88/35/65/411883565.db2.gz GDBCXZITBLZVAC-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@H]2COC[C@H]2C1 ZINC000662045885 411963765 /nfs/dbraw/zinc/96/37/65/411963765.db2.gz ZLXQGGQTDXRGDU-OUAUKWLOSA-N 0 3 226.320 0.431 20 0 BCADHN CC[C@@H](N)C(=O)N(CCOC)CC(C)C ZINC000037809115 170861783 /nfs/dbraw/zinc/86/17/83/170861783.db2.gz VIZPRTVSMFWINO-SNVBAGLBSA-N 0 3 216.325 0.855 20 0 BCADHN COCCN1CC[C@H](CN2CCCC2=O)C1 ZINC000662049543 411966377 /nfs/dbraw/zinc/96/63/77/411966377.db2.gz BGYZYFDTCHOZRS-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(=O)n(C)c1 ZINC000037770325 170863591 /nfs/dbraw/zinc/86/35/91/170863591.db2.gz QTHSPKBIKUSBBZ-MRVPVSSYSA-N 0 3 209.249 0.061 20 0 BCADHN Cc1nc(N)nc(N[C@H]2CCN(C)[C@@H](C)C2)n1 ZINC000383608077 411968834 /nfs/dbraw/zinc/96/88/34/411968834.db2.gz RXMAUPQLDNKZRP-CBAPKCEASA-N 0 3 236.323 0.657 20 0 BCADHN Nc1ncccc1CN1CCC2(COC2)C1 ZINC000662072288 411972210 /nfs/dbraw/zinc/97/22/10/411972210.db2.gz FOYBLQFXRWBXHQ-UHFFFAOYSA-N 0 3 219.288 0.886 20 0 BCADHN CO[C@H](C)[C@@H](C)NC1CN(C(C)=O)C1 ZINC000568238909 322929618 /nfs/dbraw/zinc/92/96/18/322929618.db2.gz FYHASZHSFPEAHQ-HTQZYQBOSA-N 0 3 200.282 0.230 20 0 BCADHN CCCN1CC[C@@H](Nc2nccn3nnnc23)C1 ZINC000664529558 411979413 /nfs/dbraw/zinc/97/94/13/411979413.db2.gz LDPIHKIGSDPRJU-SECBINFHSA-N 0 3 247.306 0.416 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2ccnc(C)n2)C1 ZINC000665669376 411985934 /nfs/dbraw/zinc/98/59/34/411985934.db2.gz ZBOFOOWHBNMNHC-SNVBAGLBSA-N 0 3 234.303 0.609 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC000665669513 411987891 /nfs/dbraw/zinc/98/78/91/411987891.db2.gz NGTXLLBKZUMLQT-NWDGAFQWSA-N 0 3 239.363 0.681 20 0 BCADHN O=C(NCC1(CO)CC1)[C@@H]1CCCCN1 ZINC000132492382 411994974 /nfs/dbraw/zinc/99/49/74/411994974.db2.gz VEJGZTHGODGRFK-VIFPVBQESA-N 0 3 212.293 0.017 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@H](C)[C@](C)(CO)C1 ZINC000662135215 411998244 /nfs/dbraw/zinc/99/82/44/411998244.db2.gz KPAOWBVSEXYSPX-CWSCBRNRSA-N 0 3 240.347 0.604 20 0 BCADHN C[C@H]1CN(CC(=O)NC2CC2)C[C@]1(C)CO ZINC000662138422 411999634 /nfs/dbraw/zinc/99/96/34/411999634.db2.gz QIWZRPKGQLZDJA-JOYOIKCWSA-N 0 3 226.320 0.215 20 0 BCADHN C[C@H]1CN(CC(=O)N(C)C2CC2)C[C@@]1(C)CO ZINC000662135806 411999772 /nfs/dbraw/zinc/99/97/72/411999772.db2.gz QSNLHQCHUBNLFG-GWCFXTLKSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@H]1CN(CC(=O)NC(C)(C)C)C[C@]1(C)CO ZINC000662136183 411999819 /nfs/dbraw/zinc/99/98/19/411999819.db2.gz OKCGSXYZISMLPJ-GXFFZTMASA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H]1CN(Cc2cncn2C)C[C@]1(C)CO ZINC000662143060 412002871 /nfs/dbraw/zinc/00/28/71/412002871.db2.gz OZUMLHNPHHEPOK-ZYHUDNBSSA-N 0 3 223.320 0.870 20 0 BCADHN CCNC(=O)CN1C[C@H](C)[C@](C)(CO)C1 ZINC000662142142 412003562 /nfs/dbraw/zinc/00/35/62/412003562.db2.gz ZKYFYTXTMZACNN-ONGXEEELSA-N 0 3 214.309 0.073 20 0 BCADHN CCN(CC)C(=O)CN1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662141453 412004175 /nfs/dbraw/zinc/00/41/75/412004175.db2.gz WUACRUCASQNZFO-DGCLKSJQSA-N 0 3 242.363 0.805 20 0 BCADHN CCN1CC[C@H](N2CC[C@@H]3COC[C@@H]3C2)C1=O ZINC000662031285 411947246 /nfs/dbraw/zinc/94/72/46/411947246.db2.gz RNDFXGOCJXRCAW-WOPDTQHZSA-N 0 3 238.331 0.576 20 0 BCADHN C[C@H](O)CCN(C)Cc1ccc(N)nc1 ZINC000219867402 411947678 /nfs/dbraw/zinc/94/76/78/411947678.db2.gz CKJMIKWSROECPV-VIFPVBQESA-N 0 3 209.293 0.867 20 0 BCADHN CCCNC(=O)CN1CC[C@H]2COC[C@@H]2C1 ZINC000662032073 411948149 /nfs/dbraw/zinc/94/81/49/411948149.db2.gz XDOMDZZBUXTKOH-QWRGUYRKSA-N 0 3 226.320 0.481 20 0 BCADHN Nc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cn1 ZINC000638429462 411953134 /nfs/dbraw/zinc/95/31/34/411953134.db2.gz CUFOQUWCZAKROE-RKDXNWHRSA-N 0 3 238.266 0.175 20 0 BCADHN CCCCNC(=O)CN1CC[C@H]2COC[C@H]2C1 ZINC000662039414 411954616 /nfs/dbraw/zinc/95/46/16/411954616.db2.gz DWNDQWTWIRFDBG-NWDGAFQWSA-N 0 3 240.347 0.871 20 0 BCADHN Cn1cnc(CN2CC[C@H]3COC[C@H]3C2)c1 ZINC000662037814 411955946 /nfs/dbraw/zinc/95/59/46/411955946.db2.gz UYVYWJOMTHLSPC-WDEREUQCSA-N 0 3 221.304 0.888 20 0 BCADHN C(CN1CC[C@@H]2COC[C@@H]2C1)N1CCOCC1 ZINC000662040379 411958421 /nfs/dbraw/zinc/95/84/21/411958421.db2.gz XRLQZHZETBBNKU-OLZOCXBDSA-N 0 3 240.347 0.287 20 0 BCADHN CCNC(=O)CN1CC[C@@H]2COC[C@@H]2C1 ZINC000662041997 411959953 /nfs/dbraw/zinc/95/99/53/411959953.db2.gz MACDFCKEQNTADK-ZJUUUORDSA-N 0 3 212.293 0.091 20 0 BCADHN CN1CC[C@@H](CNC(=O)c2ncccc2N)C1 ZINC000132446599 411962689 /nfs/dbraw/zinc/96/26/89/411962689.db2.gz UCFHYJLPMKFOHD-VIFPVBQESA-N 0 3 234.303 0.345 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)Cc1c[nH]cn1 ZINC000664894892 412040464 /nfs/dbraw/zinc/04/04/64/412040464.db2.gz ATXBODABQAVUIQ-VIFPVBQESA-N 0 3 239.323 0.501 20 0 BCADHN CN(CCn1cncn1)CC1=CCSC1 ZINC000662266195 412043764 /nfs/dbraw/zinc/04/37/64/412043764.db2.gz GAZASULHLHSSJX-UHFFFAOYSA-N 0 3 224.333 0.883 20 0 BCADHN C[C@H]1CN(C[C@H]2CCC3(CNC3)O2)CCO1 ZINC000662249712 412046477 /nfs/dbraw/zinc/04/64/77/412046477.db2.gz YIKYFLFRANKPDO-WDEREUQCSA-N 0 3 226.320 0.228 20 0 BCADHN CC[C@H]1CN(C[C@H]2CCC3(CNC3)O2)CCO1 ZINC000662249706 412047861 /nfs/dbraw/zinc/04/78/61/412047861.db2.gz YHVVGQLVYFWPAE-NWDGAFQWSA-N 0 3 240.347 0.618 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)[C@@H](C)CO1 ZINC000662252011 412050158 /nfs/dbraw/zinc/05/01/58/412050158.db2.gz LAVWOKHBCSFORW-TUAOUCFPSA-N 0 3 240.347 0.617 20 0 BCADHN CCN1CCN(C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662257192 412051707 /nfs/dbraw/zinc/05/17/07/412051707.db2.gz BJLJJPFUIKFVSB-GFCCVEGCSA-N 0 3 239.363 0.145 20 0 BCADHN CN(Cc1cnccn1)C[C@H]1CCC2(CNC2)O1 ZINC000662261471 412053264 /nfs/dbraw/zinc/05/32/64/412053264.db2.gz ZJRYNALDNSUMIL-GFCCVEGCSA-N 0 3 248.330 0.429 20 0 BCADHN C[C@H](F)CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664970603 412055382 /nfs/dbraw/zinc/05/53/82/412055382.db2.gz ZSVLSQYWPDNCLX-GUBZILKMSA-N 0 3 247.314 0.051 20 0 BCADHN CC[C@@H]1CCN([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000125190744 171014721 /nfs/dbraw/zinc/01/47/21/171014721.db2.gz MJBFMXFWBSQFNJ-DTWKUNHWSA-N 0 3 227.308 0.562 20 0 BCADHN CC[C@@H]1CC[C@H](C(=O)NC[C@@H]2CNCCO2)O1 ZINC000333239271 171047791 /nfs/dbraw/zinc/04/77/91/171047791.db2.gz DNEBWDQTODUVTO-OUAUKWLOSA-N 0 3 242.319 0.049 20 0 BCADHN CC[C@@H]1CN(C(=O)C2(N)CCCC2)CCO1 ZINC000037479515 171061828 /nfs/dbraw/zinc/06/18/28/171061828.db2.gz YTDBZTBRYVPAIL-SNVBAGLBSA-N 0 3 226.320 0.895 20 0 BCADHN CC[C@@H]1CN(C(=O)C2(N)CCC2)C[C@@H](C)O1 ZINC000336221422 171062647 /nfs/dbraw/zinc/06/26/47/171062647.db2.gz DWLBYZKAGKVLDH-NXEZZACHSA-N 0 3 226.320 0.894 20 0 BCADHN CC[C@@H]1CN(C(=O)CNC2CC2)CCO1 ZINC000037476990 171063267 /nfs/dbraw/zinc/06/32/67/171063267.db2.gz CCUCCXVOCWNRRU-SNVBAGLBSA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@@H]1CN(C(=O)CNCCOC)C[C@H](C)O1 ZINC000236919739 171064297 /nfs/dbraw/zinc/06/42/97/171064297.db2.gz TXVQZACIDZUBNP-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN CC[C@@H]1CN(CCCO)C[C@@]2(CCOC2)O1 ZINC000369556454 171080085 /nfs/dbraw/zinc/08/00/85/171080085.db2.gz MIKNPXFTBVKTBF-VXGBXAGGSA-N 0 3 229.320 0.639 20 0 BCADHN CC[C@@H]1CN(CCOCCO)CCCO1 ZINC000300895035 171081645 /nfs/dbraw/zinc/08/16/45/171081645.db2.gz MYTKSBCGZHUUFJ-LLVKDONJSA-N 0 3 217.309 0.496 20 0 BCADHN CC[C@@H]1CN(CCO)C[C@@]2(CCCOC2)O1 ZINC000369538273 171081675 /nfs/dbraw/zinc/08/16/75/171081675.db2.gz YQPFRVYNFSYQJY-VXGBXAGGSA-N 0 3 229.320 0.639 20 0 BCADHN CC[C@@H]1CN(CCn2cc(C)cn2)C[C@H]1O ZINC000341006906 171083020 /nfs/dbraw/zinc/08/30/20/171083020.db2.gz DVXXHTPRCUZCTL-VXGBXAGGSA-N 0 3 223.320 0.894 20 0 BCADHN CC[C@@H]1CN(CCOCCOC)C[C@@H]1O ZINC000341045401 171084455 /nfs/dbraw/zinc/08/44/55/171084455.db2.gz LIWDVIFLNLSWRM-MNOVXSKESA-N 0 3 217.309 0.352 20 0 BCADHN CC[C@@H]1CN(C[C@@](C)(O)C(=O)OC)CCCO1 ZINC000304161086 171085545 /nfs/dbraw/zinc/08/55/45/171085545.db2.gz LRGMTJUOJBAWIU-ZYHUDNBSSA-N 0 3 245.319 0.411 20 0 BCADHN CC[C@@H]1CN(C[C@H](C)O)C[C@]2(CCOC2)O1 ZINC000337265517 171087048 /nfs/dbraw/zinc/08/70/48/171087048.db2.gz YLMXGBQMFGVMLL-TUAOUCFPSA-N 0 3 229.320 0.637 20 0 BCADHN CC[C@@H]1CN(Cc2ccc(CO)o2)C[C@H]1O ZINC000271403499 171087603 /nfs/dbraw/zinc/08/76/03/171087603.db2.gz WFTNVUUEOGCTLH-BXKDBHETSA-N 0 3 225.288 0.975 20 0 BCADHN CC[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1O ZINC000293052469 171089280 /nfs/dbraw/zinc/08/92/80/171089280.db2.gz FWSLWLBMEXUXOH-ZYHUDNBSSA-N 0 3 221.304 0.988 20 0 BCADHN CC[C@@H]1CN([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC000341008101 171093699 /nfs/dbraw/zinc/09/36/99/171093699.db2.gz KQKPYDUNGBBFTO-IQJOONFLSA-N 0 3 226.320 0.356 20 0 BCADHN CC[C@@H]1CN([C@@H](C)C(=O)N(CC)CC)C[C@H]1O ZINC000341007873 171094009 /nfs/dbraw/zinc/09/40/09/171094009.db2.gz JQOOLDWAJWBPIM-QJPTWQEYSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@H]1CN([C@@H]2COC[C@H]2O)CCS1 ZINC000306556651 171096746 /nfs/dbraw/zinc/09/67/46/171096746.db2.gz LROWJPNTSOWLHM-OPRDCNLKSA-N 0 3 217.334 0.574 20 0 BCADHN CC[C@@H]1CN([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC000341008099 171096896 /nfs/dbraw/zinc/09/68/96/171096896.db2.gz KQKPYDUNGBBFTO-FXPVBKGRSA-N 0 3 226.320 0.356 20 0 BCADHN CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)CNC ZINC000370768135 171099075 /nfs/dbraw/zinc/09/90/75/171099075.db2.gz YMPWUUVPALFSLM-NEPJUHHUSA-N 0 3 239.363 0.681 20 0 BCADHN CC[C@@H]1COCCN1C[C@@H](O)CN(C)C1CC1 ZINC000310347767 171105258 /nfs/dbraw/zinc/10/52/58/171105258.db2.gz OLEOCGPUJLCQGU-YPMHNXCESA-N 0 3 242.363 0.552 20 0 BCADHN CC[C@@H]1CO[C@@H](C)CN1CCC(=O)N(C)C ZINC000353852388 171109614 /nfs/dbraw/zinc/10/96/14/171109614.db2.gz BVASLRDQMGWXAW-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1CCCC[C@H]1CN1C[C@H](O)C[C@H]1C(N)=O ZINC000665050052 412067879 /nfs/dbraw/zinc/06/78/79/412067879.db2.gz ZPLVAHNFBGLCRH-KXNHARMFSA-N 0 3 240.347 0.733 20 0 BCADHN CCN1CC[C@@H](N2C[C@H]3CCC[C@@H](C2)N3)C1=O ZINC000662277511 412069715 /nfs/dbraw/zinc/06/97/15/412069715.db2.gz VLLVGVVKVPDPLO-GRYCIOLGSA-N 0 3 237.347 0.434 20 0 BCADHN CC[C@@](C)(NC(=O)CN)c1nccs1 ZINC000237060204 171172154 /nfs/dbraw/zinc/17/21/54/171172154.db2.gz HURVTIIQDAMCEX-SECBINFHSA-N 0 3 213.306 0.843 20 0 BCADHN CC[C@@](C)(NCc1ccc(CO)cc1)C(N)=O ZINC000301757016 171176034 /nfs/dbraw/zinc/17/60/34/171176034.db2.gz GYNFLTBVBMZHCG-CYBMUJFWSA-N 0 3 236.315 0.923 20 0 BCADHN CC[C@@](C)(O)CN[C@@H](CO)c1cnn(C)c1 ZINC000309840034 171185204 /nfs/dbraw/zinc/18/52/04/171185204.db2.gz CSPDFBNSORFFNR-WDEREUQCSA-N 0 3 227.308 0.204 20 0 BCADHN CC[C@H](C(=O)N(C)CCn1cccn1)N(C)C ZINC000124495383 171221259 /nfs/dbraw/zinc/22/12/59/171221259.db2.gz JBTVTNCZCKHPTF-LLVKDONJSA-N 0 3 238.335 0.682 20 0 BCADHN CC[C@H](C(=O)N(C)Cc1cc[nH]n1)N(C)C ZINC000330441349 171221845 /nfs/dbraw/zinc/22/18/45/171221845.db2.gz UWDAFVIYVVGXMO-SNVBAGLBSA-N 0 3 224.308 0.708 20 0 BCADHN CC[C@H](C(=O)N(C)Cc1nnc[n-]1)[NH+](C)C ZINC000330412561 171222067 /nfs/dbraw/zinc/22/20/67/171222067.db2.gz BHLCMIKKKIUCQR-MRVPVSSYSA-N 0 3 225.296 0.103 20 0 BCADHN CC[C@H](C(=O)N(C)[C@@H]1CCC[C@@H]1O)N(C)C ZINC000341793399 171222706 /nfs/dbraw/zinc/22/27/06/171222706.db2.gz XMMQVTWUPODNSF-MXWKQRLJSA-N 0 3 228.336 0.698 20 0 BCADHN CC[C@H](C(=O)N(C)C[C@H](C)C(=O)OC)N(C)C ZINC000126405394 171223217 /nfs/dbraw/zinc/22/32/17/171223217.db2.gz NSCHQVAJMVGASE-VHSXEESVSA-N 0 3 244.335 0.594 20 0 BCADHN CC[C@H](C(=O)N1CCOCC1)N(C)C ZINC000124431233 171223680 /nfs/dbraw/zinc/22/36/80/171223680.db2.gz UNTBUJVVYGCPKS-SECBINFHSA-N 0 3 200.282 0.185 20 0 BCADHN CC[C@H](C(=O)N1CCO[C@H](C2CC2)C1)N(C)C ZINC000362499286 171224336 /nfs/dbraw/zinc/22/43/36/171224336.db2.gz OEHWPQZWUMIVCR-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@H](C(=O)NC1(C(=O)OC)CC1)N(C)C ZINC000331739477 171226845 /nfs/dbraw/zinc/22/68/45/171226845.db2.gz DXDXVIXCCNMRJL-MRVPVSSYSA-N 0 3 228.292 0.148 20 0 BCADHN CC[C@H](C(=O)NCCC1(O)CCC1)N(C)C ZINC000357086656 171226919 /nfs/dbraw/zinc/22/69/19/171226919.db2.gz KQCLPTLAUKPGSF-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@H](C(=O)NCCOC(F)(F)F)N(C)C ZINC000356775406 171228608 /nfs/dbraw/zinc/22/86/08/171228608.db2.gz XJOLKZWMYHEGNB-SSDOTTSWSA-N 0 3 242.241 0.979 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCCN1C)C(=O)OC ZINC000338766765 171229093 /nfs/dbraw/zinc/22/90/93/171229093.db2.gz PYALMXNFKMIMFK-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@H](C(=O)NC[C@H](O)C1CC1)N(C)C ZINC000331816283 171229211 /nfs/dbraw/zinc/22/92/11/171229211.db2.gz WUUPGYJXJFSNHL-ZJUUUORDSA-N 0 3 214.309 0.214 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)C[C@H](C)O)N(C)C ZINC000305088783 171229241 /nfs/dbraw/zinc/22/92/41/171229241.db2.gz VTOCJXAGCVAQMP-GARJFASQSA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)C[C@@H](C)O)N(C)C ZINC000305088786 171229375 /nfs/dbraw/zinc/22/93/75/171229375.db2.gz VTOCJXAGCVAQMP-HBNTYKKESA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)N(C)C1CC1)[C@H](C)O ZINC000357593894 171229512 /nfs/dbraw/zinc/22/95/12/171229512.db2.gz CALLSOJULFJSAY-SCVCMEIPSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1CCCN1CC)[C@H](C)O ZINC000357621214 171229740 /nfs/dbraw/zinc/22/97/40/171229740.db2.gz NIZQUVUTOXTWLE-TUAOUCFPSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)NC[C@@](C)(O)C(C)C)N(C)C ZINC000305128863 171229866 /nfs/dbraw/zinc/22/98/66/171229866.db2.gz MELIQDOEJXCVFE-ZYHUDNBSSA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@H](C(=O)NCc1nccc(N)n1)N(C)C ZINC000152560308 171230589 /nfs/dbraw/zinc/23/05/89/171230589.db2.gz ANCLQHFMAPEPRW-MRVPVSSYSA-N 0 3 237.307 0.015 20 0 BCADHN CC[C@H](C(=O)NCc1ccn(C)c1)N(C)C ZINC000123184244 171230752 /nfs/dbraw/zinc/23/07/52/171230752.db2.gz ATHBPGGWVCDSAE-LLVKDONJSA-N 0 3 223.320 0.982 20 0 BCADHN CC[C@H](C(=O)NCc1cccnn1)N(C)C ZINC000331305708 171230853 /nfs/dbraw/zinc/23/08/53/171230853.db2.gz WVNZGAYIAQNDJX-SNVBAGLBSA-N 0 3 222.292 0.433 20 0 BCADHN CC[C@H](C(=O)NCc1nc(C)no1)N(C)C ZINC000330451450 171230921 /nfs/dbraw/zinc/23/09/21/171230921.db2.gz YVEHREMBTCJABP-MRVPVSSYSA-N 0 3 226.280 0.334 20 0 BCADHN CC[C@H](C(=O)NCc1ccnn1C)N(C)C ZINC000127625818 171231107 /nfs/dbraw/zinc/23/11/07/171231107.db2.gz PZQROMRJRZFEIQ-SNVBAGLBSA-N 0 3 224.308 0.377 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CO)C1CCCC1)N(C)C ZINC000359644626 171232343 /nfs/dbraw/zinc/23/23/43/171232343.db2.gz ZJZPZPLBOHFMGD-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)c1cnn(C)c1)N(C)C ZINC000158152894 171232348 /nfs/dbraw/zinc/23/23/48/171232348.db2.gz MLNMRUZIICJEAV-GXSJLCMTSA-N 0 3 238.335 0.938 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)COCCOC)N(C)C ZINC000338964838 171232907 /nfs/dbraw/zinc/23/29/07/171232907.db2.gz UFFQUOXKRJQRCP-GHMZBOCLSA-N 0 3 246.351 0.494 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)Cn1ccnc1)N(C)C ZINC000268744559 171233100 /nfs/dbraw/zinc/23/31/00/171233100.db2.gz DWZLWFUHIGBGAR-GHMZBOCLSA-N 0 3 238.335 0.728 20 0 BCADHN CC[C@H](C(=O)Nc1nncn1C)N(CC)CC ZINC000274248061 171234780 /nfs/dbraw/zinc/23/47/80/171234780.db2.gz XUORDMRFLYVUHO-SECBINFHSA-N 0 3 239.323 0.874 20 0 BCADHN CC[C@H](C(=O)OC)N1CC[C@](C)(C(N)=O)C1 ZINC000361556381 171241933 /nfs/dbraw/zinc/24/19/33/171241933.db2.gz GRQUGGMCTFNFKO-KCJUWKMLSA-N 0 3 228.292 0.135 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@H](O)CC1 ZINC000306210304 171242560 /nfs/dbraw/zinc/24/25/60/171242560.db2.gz NYZVZSZGCDZIOW-RKDXNWHRSA-N 0 3 200.282 0.097 20 0 BCADHN CC[C@H](C(N)=O)N1CCC([C@@H]2CCOC2)CC1 ZINC000368262407 171242700 /nfs/dbraw/zinc/24/27/00/171242700.db2.gz GHFZKADEBKDALA-VXGBXAGGSA-N 0 3 240.347 0.999 20 0 BCADHN CC[C@H](C(N)=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000246249388 171243074 /nfs/dbraw/zinc/24/30/74/171243074.db2.gz GQRHLETYYAGXMH-BBBLOLIVSA-N 0 3 214.309 0.343 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000378448029 171244065 /nfs/dbraw/zinc/24/40/65/171244065.db2.gz CPOUSYPUQPDJAX-MXWKQRLJSA-N 0 3 225.336 0.276 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@](CC)(CO)C1 ZINC000187608040 171245554 /nfs/dbraw/zinc/24/55/54/171245554.db2.gz XSKVIWGIVCKXFF-ZYHUDNBSSA-N 0 3 228.336 0.735 20 0 BCADHN CC[C@H](C)C(=O)NC[C@](C)(O)CN(C)C ZINC000152495049 171251680 /nfs/dbraw/zinc/25/16/80/171251680.db2.gz ZIQNJCRZCJUGMW-ONGXEEELSA-N 0 3 216.325 0.461 20 0 BCADHN CC[C@H](C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000152495232 171252093 /nfs/dbraw/zinc/25/20/93/171252093.db2.gz ZIQNJCRZCJUGMW-GXSJLCMTSA-N 0 3 216.325 0.461 20 0 BCADHN CC[C@H](C)CN1CC[C@@H](S(=O)(=O)NC)C1 ZINC000370997671 171283069 /nfs/dbraw/zinc/28/30/69/171283069.db2.gz JEAUMUFEFLJJNF-VHSXEESVSA-N 0 3 234.365 0.656 20 0 BCADHN COC[C@@H](OC)C(=O)N(C)C1CCN(C)CC1 ZINC000665075790 412082993 /nfs/dbraw/zinc/08/29/93/412082993.db2.gz WXTNVXYYZYSFOL-LLVKDONJSA-N 0 3 244.335 0.200 20 0 BCADHN CC[C@H](C)N(C)CC(=O)NC(=O)NC1CC1 ZINC000355353855 171304850 /nfs/dbraw/zinc/30/48/50/171304850.db2.gz KHRUHYSTNVWTID-QMMMGPOBSA-N 0 3 227.308 0.705 20 0 BCADHN CC[C@H](C)[N@H+](C)CCNC(=O)c1c[n-]nn1 ZINC000170745948 171305665 /nfs/dbraw/zinc/30/56/65/171305665.db2.gz OPAQBXVDURYVHP-QMMMGPOBSA-N 0 3 225.296 0.265 20 0 BCADHN CC[C@H](C)[N@@H+](C)CCNC(=O)c1c[n-]nn1 ZINC000170745948 171305666 /nfs/dbraw/zinc/30/56/66/171305666.db2.gz OPAQBXVDURYVHP-QMMMGPOBSA-N 0 3 225.296 0.265 20 0 BCADHN CC[C@H](C)[N@H+](C)CCNC(=O)c1cnn[n-]1 ZINC000170745948 171305668 /nfs/dbraw/zinc/30/56/68/171305668.db2.gz OPAQBXVDURYVHP-QMMMGPOBSA-N 0 3 225.296 0.265 20 0 BCADHN CC[C@H](C)[N@@H+](C)CCNC(=O)c1cnn[n-]1 ZINC000170745948 171305669 /nfs/dbraw/zinc/30/56/69/171305669.db2.gz OPAQBXVDURYVHP-QMMMGPOBSA-N 0 3 225.296 0.265 20 0 BCADHN CC[C@H](C)[N@H+](C)CCNC(=O)c1cn[n-]n1 ZINC000170745948 171305671 /nfs/dbraw/zinc/30/56/71/171305671.db2.gz OPAQBXVDURYVHP-QMMMGPOBSA-N 0 3 225.296 0.265 20 0 BCADHN CC[C@H](C)[N@@H+](C)CCNC(=O)c1cn[n-]n1 ZINC000170745948 171305672 /nfs/dbraw/zinc/30/56/72/171305672.db2.gz OPAQBXVDURYVHP-QMMMGPOBSA-N 0 3 225.296 0.265 20 0 BCADHN CC[C@H](C)N(C)CCNS(=O)(=O)NC1CC1 ZINC000331765545 171306101 /nfs/dbraw/zinc/30/61/01/171306101.db2.gz OPLLWNLFXIABIT-VIFPVBQESA-N 0 3 249.380 0.303 20 0 BCADHN CC[C@H](C)N(C)CCNS(=O)(=O)N(C)C ZINC000309009231 171307007 /nfs/dbraw/zinc/30/70/07/171307007.db2.gz WBHMHNQLHIQHET-VIFPVBQESA-N 0 3 237.369 0.113 20 0 BCADHN CC[C@H](C)N(C)CCNc1nccn(C)c1=O ZINC000230903016 171308780 /nfs/dbraw/zinc/30/87/80/171308780.db2.gz OJTCCKXTKQYMHR-JTQLQIEISA-N 0 3 238.335 0.923 20 0 BCADHN CC[C@H](C)N(CCO)CC(=O)N(CC)CC ZINC000309348475 171314260 /nfs/dbraw/zinc/31/42/60/171314260.db2.gz XAJBQTAHAKFGMO-NSHDSACASA-N 0 3 230.352 0.948 20 0 BCADHN CC[C@H](C)N1CCC[C@H]1CS(=O)(=O)NC ZINC000337316929 171317591 /nfs/dbraw/zinc/31/75/91/171317591.db2.gz KYPCMUWXNSSIHL-UWVGGRQHSA-N 0 3 234.365 0.799 20 0 BCADHN CC[C@H](C)N1CCN(CC(=O)N(C)C)CC1 ZINC000337330035 171319076 /nfs/dbraw/zinc/31/90/76/171319076.db2.gz FYPXLPGDQVFNEF-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN CC[C@H](C)NC(=O)CN(C[C@H](C)O)C(C)C ZINC000340780229 171324679 /nfs/dbraw/zinc/32/46/79/171324679.db2.gz DFUCIVFMWGOZFO-QWRGUYRKSA-N 0 3 230.352 0.992 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@@H](C)Cn1cccn1 ZINC000042269822 171326663 /nfs/dbraw/zinc/32/66/63/171326663.db2.gz IVKWBKSYJQWHFD-QWRGUYRKSA-N 0 3 238.335 0.776 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)COC ZINC000026514421 171332747 /nfs/dbraw/zinc/33/27/47/171332747.db2.gz ZSEGDVFDJNCNEN-LPEHRKFASA-N 0 3 216.325 0.914 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N(CCO)CC1CC1 ZINC000352484633 171333737 /nfs/dbraw/zinc/33/37/37/171333737.db2.gz RQLWBVJMITWOEQ-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N1CC[C@H]([C@@H](C)O)C1 ZINC000162787419 171334777 /nfs/dbraw/zinc/33/47/77/171334777.db2.gz NSIIZELDRHDYCE-YFKTTZPYSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N1C[C@@H](O)[C@@H](CC)C1 ZINC000341029177 171334916 /nfs/dbraw/zinc/33/49/16/171334916.db2.gz NYKBDEHFLSMHPM-FIQHERPVSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N1C[C@H](CO)[C@H](C)C1 ZINC000362093683 171335046 /nfs/dbraw/zinc/33/50/46/171335046.db2.gz FPBOYRBALXMGBG-NOOOWODRSA-N 0 3 242.363 0.850 20 0 BCADHN CC[C@H](C)N[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000371739856 171347258 /nfs/dbraw/zinc/34/72/58/171347258.db2.gz QLGPCDVCUQRALS-VHSXEESVSA-N 0 3 236.319 0.914 20 0 BCADHN CC[C@H](C)[C@@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000352990915 171362693 /nfs/dbraw/zinc/36/26/93/171362693.db2.gz OQIGKIOBBRYPJY-DJLDLDEBSA-N 0 3 235.349 0.970 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(CCOC)CCOC ZINC000036200121 171369309 /nfs/dbraw/zinc/36/93/09/171369309.db2.gz WNISUKKMSFCYQX-WDEREUQCSA-N 0 3 246.351 0.481 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCCO[C@H](C)C1 ZINC000061920343 171369799 /nfs/dbraw/zinc/36/97/99/171369799.db2.gz AJWNFQZODFALHQ-HBNTYKKESA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(C)C[C@H]1C ZINC000300354458 171369848 /nfs/dbraw/zinc/36/98/48/171369848.db2.gz AGVOFGJOZDXFDY-HBNTYKKESA-N 0 3 227.352 0.522 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(C)Cc1cnccn1 ZINC000237037502 171370202 /nfs/dbraw/zinc/37/02/02/171370202.db2.gz UQXPWCCWIOVEDZ-GXSJLCMTSA-N 0 3 236.319 0.808 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCOCCOC ZINC000044727234 171371767 /nfs/dbraw/zinc/37/17/67/171371767.db2.gz IMVGPPBOARVTJS-VHSXEESVSA-N 0 3 232.324 0.139 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCCC(=O)OC ZINC000040832133 171371819 /nfs/dbraw/zinc/37/18/19/171371819.db2.gz RTNAJDZNGAMIJK-WCBMZHEXSA-N 0 3 230.308 0.429 20 0 BCADHN Cc1nccnc1C(=O)N(C)C1CCN(C)CC1 ZINC000665074563 412082414 /nfs/dbraw/zinc/08/24/14/412082414.db2.gz MYDDOZDQHYJHRQ-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)C1(N)CCCC1 ZINC000236977919 171376403 /nfs/dbraw/zinc/37/64/03/171376403.db2.gz BPHIOMNCQXYDOA-UWVGGRQHSA-N 0 3 228.336 0.781 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)C(C)(C)N ZINC000236977856 171376517 /nfs/dbraw/zinc/37/65/17/171376517.db2.gz CIXHJWDARNGSJH-YUMQZZPRSA-N 0 3 202.298 0.247 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)/C=C/CN(C)C ZINC000268639874 171376539 /nfs/dbraw/zinc/37/65/39/171376539.db2.gz UGAUULAHALOSJC-JYLGIWJRSA-N 0 3 228.336 0.627 20 0 BCADHN CC[C@H](C)[C@@H](O)CN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000286316705 171378675 /nfs/dbraw/zinc/37/86/75/171378675.db2.gz XLBMPAQBEDRFMJ-QXEWZRGKSA-N 0 3 239.319 0.828 20 0 BCADHN CC12CC(C1)CN2CCN1CCCS1(=O)=O ZINC000662385205 412138479 /nfs/dbraw/zinc/13/84/79/412138479.db2.gz NICYYHVBLWEMOT-UHFFFAOYSA-N 0 3 244.360 0.506 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)CC(=O)NC(C)C ZINC000037801321 171393054 /nfs/dbraw/zinc/39/30/54/171393054.db2.gz RSPJHAUHAORPTG-ONGXEEELSA-N 0 3 243.351 0.343 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)COCCOC ZINC000353728700 171394942 /nfs/dbraw/zinc/39/49/42/171394942.db2.gz XYUMCZJXNZUJHG-AXFHLTTASA-N 0 3 246.351 0.528 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCN(C)CCOC ZINC000061380461 171395033 /nfs/dbraw/zinc/39/50/33/171395033.db2.gz ARFQBLDTNXMOJA-QWRGUYRKSA-N 0 3 245.367 0.054 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)Cn1ccnc1 ZINC000040462033 171395114 /nfs/dbraw/zinc/39/51/14/171395114.db2.gz XQEVGOFTPCKMSZ-AXFHLTTASA-N 0 3 238.335 0.761 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)COC ZINC000019471756 171395122 /nfs/dbraw/zinc/39/51/22/171395122.db2.gz SXADYJDCQQIOTL-CIUDSAMLSA-N 0 3 202.298 0.511 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](COC)C1CC1 ZINC000125356806 171395391 /nfs/dbraw/zinc/39/53/91/171395391.db2.gz JZLLHLNJIRVHLR-LSJOCFKGSA-N 0 3 228.336 0.901 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCn1cccn1 ZINC000042542277 171395519 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20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662710388 412278183 /nfs/dbraw/zinc/27/81/83/412278183.db2.gz IETUGABTOLUWGA-GUBZILKMSA-N 0 3 212.293 0.089 20 0 BCADHN O=C(CNC1CC1)N1CC[C@@H]2COC[C@H]2C1 ZINC000662711996 412279358 /nfs/dbraw/zinc/27/93/58/412279358.db2.gz PNRFZHHBYLOFME-NXEZZACHSA-N 0 3 224.304 0.233 20 0 BCADHN N[C@H](C(=O)N1CC[C@H]2COC[C@@H]2C1)C1CCC1 ZINC000662711074 412280061 /nfs/dbraw/zinc/28/00/61/412280061.db2.gz LSFIIGHDXKJSOB-SRVKXCTJSA-N 0 3 238.331 0.609 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662710852 412280160 /nfs/dbraw/zinc/28/01/60/412280160.db2.gz JPQNYKUOKSITQG-MDZLAQPJSA-N 0 3 240.347 0.999 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662711597 412280167 /nfs/dbraw/zinc/28/01/67/412280167.db2.gz NHLBNCPVIBMMTI-TUAOUCFPSA-N 0 3 240.347 0.855 20 0 BCADHN Cn1ccnc1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662717534 412281165 /nfs/dbraw/zinc/28/11/65/412281165.db2.gz OLCRTJYABNOYKO-UHFFFAOYSA-N 0 3 248.330 0.698 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)c1ncccc1N ZINC000132785855 412283311 /nfs/dbraw/zinc/28/33/11/412283311.db2.gz OWBFHDWLMVVOII-JTQLQIEISA-N 0 3 248.330 0.830 20 0 BCADHN C[C@@H](CO)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665361013 412287236 /nfs/dbraw/zinc/28/72/36/412287236.db2.gz HMDSKBJXBHQLFH-UWVGGRQHSA-N 0 3 243.351 0.539 20 0 BCADHN CN[C@@H](CC(C)(C)C)C(=O)N[C@H]1CCNC1=O ZINC000662585595 412230375 /nfs/dbraw/zinc/23/03/75/412230375.db2.gz AHBHRWJZTYIPRP-IUCAKERBSA-N 0 3 241.335 0.015 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)[C@@H](N)C1CCC1 ZINC000662584779 412230768 /nfs/dbraw/zinc/23/07/68/412230768.db2.gz GQCVSQVZNHFHAD-JTQLQIEISA-N 0 3 222.292 0.496 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)[C@H]1NCC1(C)C ZINC000662585547 412231161 /nfs/dbraw/zinc/23/11/61/412231161.db2.gz JXKNURNBBFBBLW-SECBINFHSA-N 0 3 222.292 0.366 20 0 BCADHN CS(=O)(=O)NCCN1CC[C@@H](C2CCC2)C1 ZINC000665286307 412231327 /nfs/dbraw/zinc/23/13/27/412231327.db2.gz IZCLYIQNZNSKHT-LLVKDONJSA-N 0 3 246.376 0.658 20 0 BCADHN CNCC(=O)NC[C@@H](C)c1ccccn1 ZINC000662606964 412238616 /nfs/dbraw/zinc/23/86/16/412238616.db2.gz YLZMAOAMBVPUJJ-SECBINFHSA-N 0 3 207.277 0.521 20 0 BCADHN C[C@H](N)C(=O)NC[C@H](C)c1ccccn1 ZINC000662607015 412239086 /nfs/dbraw/zinc/23/90/86/412239086.db2.gz ZLVDJQHOODFZCH-IUCAKERBSA-N 0 3 207.277 0.649 20 0 BCADHN CC(C)(N)c1cc(C(=O)NCc2ncc[nH]2)on1 ZINC000662732438 412287944 /nfs/dbraw/zinc/28/79/44/412287944.db2.gz UPSDYIBCYNONEM-UHFFFAOYSA-N 0 3 249.274 0.522 20 0 BCADHN C[C@H](CCCO)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662611451 412240765 /nfs/dbraw/zinc/24/07/65/412240765.db2.gz KPWMCWCHIJUQLD-SNVBAGLBSA-N 0 3 240.347 0.925 20 0 BCADHN C[C@H](O)CCN(C)C(=O)C1(N)CC2(CCC2)C1 ZINC000662612667 412242060 /nfs/dbraw/zinc/24/20/60/412242060.db2.gz XFRNZBREDQPGAU-JTQLQIEISA-N 0 3 240.347 0.877 20 0 BCADHN Nc1cccc(CNC(=O)C2(N)CCC2)c1 ZINC000662613279 412242131 /nfs/dbraw/zinc/24/21/31/412242131.db2.gz GOVNWEDZZKAROM-UHFFFAOYSA-N 0 3 219.288 0.766 20 0 BCADHN CC[C@H](N)C(=O)NCCc1cnccc1C ZINC000662629623 412248778 /nfs/dbraw/zinc/24/87/78/412248778.db2.gz WBWXIZCCAAFFQC-NSHDSACASA-N 0 3 221.304 0.786 20 0 BCADHN Cc1ccncc1CCNC(=O)C1(N)CCC1 ZINC000662628943 412248985 /nfs/dbraw/zinc/24/89/85/412248985.db2.gz SESUEFIJMSVMBY-UHFFFAOYSA-N 0 3 233.315 0.930 20 0 BCADHN CC[C@H](NC)C(=O)N[C@@](CC)(C(N)=O)C(C)C ZINC000662800212 412305099 /nfs/dbraw/zinc/30/50/99/412305099.db2.gz QDIVQLBLFZQPLA-JOYOIKCWSA-N 0 3 243.351 0.391 20 0 BCADHN O=C(N[C@@H]1CCOC1)C1(NC2CC2)CCC1 ZINC000662793647 412305202 /nfs/dbraw/zinc/30/52/02/412305202.db2.gz LCMXXEDOXLGJFS-SNVBAGLBSA-N 0 3 224.304 0.566 20 0 BCADHN CNc1cc2c(nn1)CCN(C[C@@H]1CCOC1)C2 ZINC000591868578 412306023 /nfs/dbraw/zinc/30/60/23/412306023.db2.gz PRMYDKAYBYLZQS-JTQLQIEISA-N 0 3 248.330 0.913 20 0 BCADHN C[C@H](CNC(=O)c1ncccc1N)N1CCCC1 ZINC000132822989 412306412 /nfs/dbraw/zinc/30/64/12/412306412.db2.gz BDPQKQGGLJYQIT-SNVBAGLBSA-N 0 3 248.330 0.878 20 0 BCADHN Cc1nnc([N-]C(=O)[C@@H]2[NH2+]CCC2(C)C)n1C ZINC000662809191 412307861 /nfs/dbraw/zinc/30/78/61/412307861.db2.gz ZLCAGJIMBVGEEQ-QMMMGPOBSA-N 0 3 237.307 0.450 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2(N)CC3(CCC3)C2)CO1 ZINC000662825614 412312604 /nfs/dbraw/zinc/31/26/04/412312604.db2.gz WNYYOKYFQOMDAF-ZJUUUORDSA-N 0 3 238.331 0.942 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)[C@H]1CCCCN1 ZINC000662839370 412316362 /nfs/dbraw/zinc/31/63/62/412316362.db2.gz QNFKSLRIZHNWOC-SNVBAGLBSA-N 0 3 222.292 0.510 20 0 BCADHN Cc1cc(C)nc(NC[C@@H]2CSCCN2)n1 ZINC000641688019 412317142 /nfs/dbraw/zinc/31/71/42/412317142.db2.gz VQWLYKROPDUAEM-SNVBAGLBSA-N 0 3 238.360 1.210 20 0 BCADHN CO[C@H]1CCCN(C(=O)C2(N)CC2)CC1 ZINC000662835411 412317176 /nfs/dbraw/zinc/31/71/76/412317176.db2.gz NRUHCPPELDEADT-VIFPVBQESA-N 0 3 212.293 0.505 20 0 BCADHN Cc1c(CN)c(NC(=O)[C@H]2C[C@H]2C)nn1C ZINC000662838824 412317406 /nfs/dbraw/zinc/31/74/06/412317406.db2.gz KOZCHRYQILMRNA-SVRRBLITSA-N 0 3 222.292 0.782 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@@H](CO)C1CCC1 ZINC000662848931 412320520 /nfs/dbraw/zinc/32/05/20/412320520.db2.gz HWEULQXHZUJJBD-MNOVXSKESA-N 0 3 228.336 0.637 20 0 BCADHN CC(C)c1cc(NC(=O)[C@H]2CCN(C)C2)n[nH]1 ZINC000386206948 412321216 /nfs/dbraw/zinc/32/12/16/412321216.db2.gz GMCWBAHKTZOISB-VIFPVBQESA-N 0 3 236.319 1.423 20 0 BCADHN Cc1cnn(C)c1NC(=O)CNCC1CC1 ZINC000662848989 412321570 /nfs/dbraw/zinc/32/15/70/412321570.db2.gz JDICOVWBQZZBST-UHFFFAOYSA-N 0 3 222.292 0.667 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000662849188 412321588 /nfs/dbraw/zinc/32/15/88/412321588.db2.gz LQJITSIEWUELJV-NSHDSACASA-N 0 3 247.298 0.648 20 0 BCADHN C[C@@H]1CN(C(=O)CN)C[C@@](C)(C(F)F)O1 ZINC000663001844 412366725 /nfs/dbraw/zinc/36/67/25/412366725.db2.gz YSJXDTSRUGITTH-MUWHJKNJSA-N 0 3 222.235 0.216 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H](CO)C1CCC1 ZINC000662849009 412321719 /nfs/dbraw/zinc/32/17/19/412321719.db2.gz JHZTYABDKWYGMF-JQWIXIFHSA-N 0 3 228.336 0.781 20 0 BCADHN COCC1(N(C)C(=O)C[C@@H]2CNCCO2)CC1 ZINC000662849775 412321928 /nfs/dbraw/zinc/32/19/28/412321928.db2.gz LVCXYNFJXIEETR-SNVBAGLBSA-N 0 3 242.319 0.002 20 0 BCADHN N[C@@H](C(=O)N[C@@H](CO)C1CCC1)C1CCC1 ZINC000662852575 412323450 /nfs/dbraw/zinc/32/34/50/412323450.db2.gz LQFPLAHZDLELQJ-WDEREUQCSA-N 0 3 226.320 0.391 20 0 BCADHN NC1(C(=O)N[C@@H](CO)C2CCC2)CCC1 ZINC000662854131 412324856 /nfs/dbraw/zinc/32/48/56/412324856.db2.gz RPLYWKGWZGTUAM-VIFPVBQESA-N 0 3 212.293 0.145 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC/C=C\CO ZINC000662856425 412325983 /nfs/dbraw/zinc/32/59/83/412325983.db2.gz TUKZHNHBJSZTDV-KHTCFXRASA-N 0 3 200.282 0.025 20 0 BCADHN NCC(=O)NCc1cccc(OC2CC2)c1F ZINC000662862069 412328326 /nfs/dbraw/zinc/32/83/26/412328326.db2.gz ZABHQZBRODOPSG-UHFFFAOYSA-N 0 3 238.262 0.942 20 0 BCADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)[C@H](C)NC ZINC000662871446 412330802 /nfs/dbraw/zinc/33/08/02/412330802.db2.gz MIZIINSAIKQYMX-VHSXEESVSA-N 0 3 241.335 0.064 20 0 BCADHN NCC(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000662877309 412333160 /nfs/dbraw/zinc/33/31/60/412333160.db2.gz IDVBGTVTBASYRZ-SNVBAGLBSA-N 0 3 205.261 0.331 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000662879964 412335245 /nfs/dbraw/zinc/33/52/45/412335245.db2.gz HNLBGUMWKPUNSQ-OPQQBVKSSA-N 0 3 240.347 0.855 20 0 BCADHN CN[C@@H](C)C(=O)N(C)c1ccc(OC)nc1 ZINC000662897921 412339006 /nfs/dbraw/zinc/33/90/06/412339006.db2.gz QUUZQLBCLZPAEM-QMMMGPOBSA-N 0 3 223.276 0.661 20 0 BCADHN CNC(=O)CC1(CNC(=O)CN)CCCCC1 ZINC000662917155 412344749 /nfs/dbraw/zinc/34/47/49/412344749.db2.gz JDDSOCVNOXDBQD-UHFFFAOYSA-N 0 3 241.335 0.148 20 0 BCADHN CCCCc1cc(NC(=O)C(C)(C)N)n[nH]1 ZINC000576223602 412345150 /nfs/dbraw/zinc/34/51/50/412345150.db2.gz CLVLXYQEQQGFQQ-UHFFFAOYSA-N 0 3 224.308 1.428 20 0 BCADHN NCC(=O)N1CCOc2ccc(O)cc2C1 ZINC000662927493 412347788 /nfs/dbraw/zinc/34/77/88/412347788.db2.gz BLODOTICRZVDGO-UHFFFAOYSA-N 0 3 222.244 0.072 20 0 BCADHN CO[C@@H](CNC(=O)CN)C1CCCCC1 ZINC000662928627 412347974 /nfs/dbraw/zinc/34/79/74/412347974.db2.gz RJRQUYVPACGHLT-JTQLQIEISA-N 0 3 214.309 0.657 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@H](O)C1CC1 ZINC000665529592 412348067 /nfs/dbraw/zinc/34/80/67/412348067.db2.gz PDIMWCZTFFJKGQ-GHMZBOCLSA-N 0 3 226.320 0.358 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1nccnc1C ZINC000665529521 412348472 /nfs/dbraw/zinc/34/84/72/412348472.db2.gz MNTISEJXUQLAJI-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CCc2nccnc2C1 ZINC000662930750 412348700 /nfs/dbraw/zinc/34/87/00/412348700.db2.gz WEJDWWAVLDJSDQ-LLVKDONJSA-N 0 3 248.330 0.735 20 0 BCADHN C[C@H](NC(=O)C1(N)CCC1)c1nccn1C ZINC000662935348 412349225 /nfs/dbraw/zinc/34/92/25/412349225.db2.gz UTCDCZQOTDDFFY-QMMMGPOBSA-N 0 3 222.292 0.479 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)c1nccn1C ZINC000662935212 412349382 /nfs/dbraw/zinc/34/93/82/412349382.db2.gz TUGYISZNHBIEPF-SFYZADRCSA-N 0 3 210.281 0.335 20 0 BCADHN C[C@H](NC(=O)C1(N)CCCC1)c1nccn1C ZINC000662934725 412350198 /nfs/dbraw/zinc/35/01/98/412350198.db2.gz PUOASIRNXCWWRP-VIFPVBQESA-N 0 3 236.319 0.869 20 0 BCADHN Nc1ccccc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662945890 412350832 /nfs/dbraw/zinc/35/08/32/412350832.db2.gz WFLFZJPFSYYTDT-MWLCHTKSSA-N 0 3 237.278 0.780 20 0 BCADHN Cc1nccnc1C(=O)NCCN1CCCC1 ZINC000665531957 412351132 /nfs/dbraw/zinc/35/11/32/412351132.db2.gz VBTXJQFWQFOGEK-UHFFFAOYSA-N 0 3 234.303 0.611 20 0 BCADHN O=C(Nc1cc(CC2CC2)[nH]n1)[C@H]1CCCCN1 ZINC000639020602 412352086 /nfs/dbraw/zinc/35/20/86/412352086.db2.gz OJSURENQOCBNRP-LLVKDONJSA-N 0 3 248.330 1.443 20 0 BCADHN C[C@@H]1CN(C(=O)CN)C[C@H](CC(F)(F)F)O1 ZINC000662948645 412352155 /nfs/dbraw/zinc/35/21/55/412352155.db2.gz AIKWUELKIROBSR-RQJHMYQMSA-N 0 3 240.225 0.513 20 0 BCADHN C[C@@H]1CN(C(=O)CN)C[C@@H](CC(F)(F)F)O1 ZINC000662948644 412352840 /nfs/dbraw/zinc/35/28/40/412352840.db2.gz AIKWUELKIROBSR-RNFRBKRXSA-N 0 3 240.225 0.513 20 0 BCADHN NCC(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000662956445 412353803 /nfs/dbraw/zinc/35/38/03/412353803.db2.gz XSIYSWTVYHVQRH-ZCFIWIBFSA-N 0 3 226.198 0.125 20 0 BCADHN C[C@H](N)C(=O)N1CCc2c(cccc2C(N)=O)C1 ZINC000662970684 412360270 /nfs/dbraw/zinc/36/02/70/412360270.db2.gz OXXKTFMWPQCRGZ-QMMMGPOBSA-N 0 3 247.298 0.017 20 0 BCADHN Cc1cn(C)nc1NC(=O)CNC(C)C ZINC000662970578 412360765 /nfs/dbraw/zinc/36/07/65/412360765.db2.gz LZHXLZGERPOFJC-UHFFFAOYSA-N 0 3 210.281 0.665 20 0 BCADHN Cc1cn(C)nc1NC(=O)CNC1CC1 ZINC000662970958 412360877 /nfs/dbraw/zinc/36/08/77/412360877.db2.gz VXJBDCXTPCBACC-UHFFFAOYSA-N 0 3 208.265 0.419 20 0 BCADHN COCC1(NC(=O)CNC(C)C)CCOCC1 ZINC000662974672 412361488 /nfs/dbraw/zinc/36/14/88/412361488.db2.gz OAAGLKMSFLKBNJ-UHFFFAOYSA-N 0 3 244.335 0.296 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccnc2cc(C)nn21 ZINC000662989266 412364095 /nfs/dbraw/zinc/36/40/95/412364095.db2.gz DQAOJIIPZMBDDT-QMMMGPOBSA-N 0 3 233.275 0.714 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CC2)C[C@@](C)(C(F)F)O1 ZINC000663001666 412365215 /nfs/dbraw/zinc/36/52/15/412365215.db2.gz XKWYPMHUNKVWON-XCBNKYQSSA-N 0 3 248.273 0.749 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748789 412291070 /nfs/dbraw/zinc/29/10/70/412291070.db2.gz GQYZYVRWRWXKKG-RKDXNWHRSA-N 0 3 226.255 0.229 20 0 BCADHN CNCC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000440577243 412291156 /nfs/dbraw/zinc/29/11/56/412291156.db2.gz PFLUCWZPKMXYKF-UHFFFAOYSA-N 0 3 236.197 0.603 20 0 BCADHN NCc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)o1 ZINC000662748433 412291779 /nfs/dbraw/zinc/29/17/79/412291779.db2.gz UFKLYTXKUKMCTB-RKDXNWHRSA-N 0 3 241.266 0.250 20 0 BCADHN NC1(C(=O)Nc2n[nH]c3cc(F)ccc32)CC1 ZINC000335198613 412295807 /nfs/dbraw/zinc/29/58/07/412295807.db2.gz ZMIQJDDSUAULSE-UHFFFAOYSA-N 0 3 234.234 1.132 20 0 BCADHN [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000662766718 412296238 /nfs/dbraw/zinc/29/62/38/412296238.db2.gz OEYMFZKPCDHWDT-GZMMTYOYSA-N 0 3 236.271 0.695 20 0 BCADHN [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000662766721 412296241 /nfs/dbraw/zinc/29/62/41/412296241.db2.gz OEYMFZKPCDHWDT-LDYMZIIASA-N 0 3 236.271 0.695 20 0 BCADHN CN[C@@H](C)C(=O)Nc1n[nH]c2cc(OC)ccc21 ZINC000584664254 412296434 /nfs/dbraw/zinc/29/64/34/412296434.db2.gz APSKXUBUSLLQQX-ZETCQYMHSA-N 0 3 248.286 1.118 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cnc3n2CCC3)[C@@H]1C ZINC000662772394 412296830 /nfs/dbraw/zinc/29/68/30/412296830.db2.gz DVZMAYGCYMAGTM-NXEZZACHSA-N 0 3 248.330 0.652 20 0 BCADHN COC1CC(CCNC(=O)NCCN(C)C)C1 ZINC000665380792 412297660 /nfs/dbraw/zinc/29/76/60/412297660.db2.gz VFXSOMKUJGBCOG-UHFFFAOYSA-N 0 3 243.351 0.662 20 0 BCADHN [NH3+]C1(CC(=O)NCc2ncccc2[O-])CC1 ZINC000662791912 412304129 /nfs/dbraw/zinc/30/41/29/412304129.db2.gz XGCGJIJOHJXBNF-UHFFFAOYSA-N 0 3 221.260 0.285 20 0 BCADHN CC[C@H](NC)C(=O)N1CC[C@@H](C)C[C@H]1C(N)=O ZINC000662792390 412304283 /nfs/dbraw/zinc/30/42/83/412304283.db2.gz NBVDUNPTPKILGX-UTLUCORTSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000663221885 412394725 /nfs/dbraw/zinc/39/47/25/412394725.db2.gz SKUIOVRRYVSEOT-HTQZYQBOSA-N 0 3 203.261 0.476 20 0 BCADHN O=C1CC[C@@H](CNCc2ccc(CO)cc2)N1 ZINC000133089052 412403584 /nfs/dbraw/zinc/40/35/84/412403584.db2.gz MWPOTCSJYIXBOR-LBPRGKRZSA-N 0 3 234.299 0.547 20 0 BCADHN CN1C[C@@H](NCc2ccc(CO)cc2)CCC1=O ZINC000133092874 412403912 /nfs/dbraw/zinc/40/39/12/412403912.db2.gz BRCLMQFPEAZBQN-ZDUSSCGKSA-N 0 3 248.326 0.889 20 0 BCADHN CCc1nc(CC(=O)NCCN(C)C)cs1 ZINC000056967412 171968188 /nfs/dbraw/zinc/96/81/88/171968188.db2.gz QROFKHNFWUGVJF-UHFFFAOYSA-N 0 3 241.360 0.926 20 0 BCADHN CCc1nc(CCNC(=O)[C@@H](C)N)cs1 ZINC000166662437 171969215 /nfs/dbraw/zinc/96/92/15/171969215.db2.gz QUHLUJLCDLMIQQ-SSDOTTSWSA-N 0 3 227.333 0.711 20 0 BCADHN CCc1nc([C@H](C)N[C@H](C)CC(N)=O)n[nH]1 ZINC000131641264 172006774 /nfs/dbraw/zinc/00/67/74/172006774.db2.gz LEVJJTUGVAOFOP-RQJHMYQMSA-N 0 3 225.296 0.282 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2cncnc2)C1 ZINC000680624801 487623949 /nfs/dbraw/zinc/62/39/49/487623949.db2.gz GXETZTNZSYQEED-MWLCHTKSSA-N 0 3 234.303 0.547 20 0 BCADHN CCc1nn(C)cc1C(=O)NC[C@@H](C)N(C)C ZINC000355955344 172040942 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172216196 /nfs/dbraw/zinc/21/61/96/172216196.db2.gz RHEIRFDGGDYSNS-JTQLQIEISA-N 0 3 236.319 0.727 20 0 BCADHN CCn1ccnc1C(=O)N[C@@H](C)CN(C)C ZINC000291652784 172216399 /nfs/dbraw/zinc/21/63/99/172216399.db2.gz CCSGOBULXCGPTP-VIFPVBQESA-N 0 3 224.308 0.583 20 0 BCADHN CCn1ccnc1CN[C@@H]1CCN(C)C1 ZINC000051924113 172224364 /nfs/dbraw/zinc/22/43/64/172224364.db2.gz ZUZAVTHSXQFGGS-SNVBAGLBSA-N 0 3 208.309 0.697 20 0 BCADHN CCn1ccnc1CN[C@@H]1CN(C)C[C@H]1C ZINC000309614720 172224468 /nfs/dbraw/zinc/22/44/68/172224468.db2.gz CMPAIJKPOQITJK-GHMZBOCLSA-N 0 3 222.336 0.943 20 0 BCADHN CCn1ncc2c1CCC[C@H]2NC(=O)[C@@H](C)N ZINC000368499698 172257262 /nfs/dbraw/zinc/25/72/62/172257262.db2.gz RSAJAFIFAKWIJV-PSASIEDQSA-N 0 3 236.319 0.744 20 0 BCADHN CCn1nccc1CCN(CCO)C[C@H](C)O ZINC000289965500 172259611 /nfs/dbraw/zinc/25/96/11/172259611.db2.gz WUXAWSZHCATHIA-NSHDSACASA-N 0 3 241.335 0.121 20 0 BCADHN CCn1nccc1CCN(C)[C@@H](C)CO ZINC000282863345 172259670 /nfs/dbraw/zinc/25/96/70/172259670.db2.gz 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/nfs/dbraw/zinc/29/96/86/173299686.db2.gz CCJVIJAQBRABBF-JTQLQIEISA-N 0 3 212.293 0.233 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccnn1C ZINC000330563898 173300020 /nfs/dbraw/zinc/30/00/20/173300020.db2.gz KADQCOCXZZTXCI-GHMZBOCLSA-N 0 3 236.319 0.424 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(Cc2n[nH]cc2C)C1 ZINC000291483337 173300661 /nfs/dbraw/zinc/30/06/61/173300661.db2.gz FYSCANMNHZFWKY-LBPRGKRZSA-N 0 3 236.319 0.676 20 0 BCADHN CNC(=O)[C@@]1(C)CCN([C@H](C)c2cnccn2)C1 ZINC000281123343 173300864 /nfs/dbraw/zinc/30/08/64/173300864.db2.gz NXWHCCUXOAMQCS-MFKMUULPSA-N 0 3 248.330 0.996 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(Cc2cnc(C)nc2)C1 ZINC000352402337 173300891 /nfs/dbraw/zinc/30/08/91/173300891.db2.gz NCLHQFKNGZXPNK-ZDUSSCGKSA-N 0 3 248.330 0.743 20 0 BCADHN CNC(=O)[C@H](C)NC[C@@H](O)c1ccc(F)cc1 ZINC000042562612 173302354 /nfs/dbraw/zinc/30/23/54/173302354.db2.gz LGMUDRHNQDMXMW-GZMMTYOYSA-N 0 3 240.278 0.583 20 0 BCADHN CNC(=O)[C@H](C)NC[C@H](O)c1ccc(F)cc1 ZINC000042562608 173302686 /nfs/dbraw/zinc/30/26/86/173302686.db2.gz LGMUDRHNQDMXMW-KWQFWETISA-N 0 3 240.278 0.583 20 0 BCADHN CNC(=O)[C@H](C)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000332062844 173303366 /nfs/dbraw/zinc/30/33/66/173303366.db2.gz QPCBQWJNLRRAOZ-UTINFBMNSA-N 0 3 228.336 0.770 20 0 BCADHN CNC(=O)[C@H](C)N[C@H](C)[C@]1(C)CCCO1 ZINC000340393753 173303742 /nfs/dbraw/zinc/30/37/42/173303742.db2.gz IWQQBCDNSRUAIB-NGZCFLSTSA-N 0 3 214.309 0.668 20 0 BCADHN CNC(=O)[C@H](CCSC)N[C@@H]1CCOC1 ZINC000336770291 173304673 /nfs/dbraw/zinc/30/46/73/173304673.db2.gz VQHVWXFWBLAYAN-BDAKNGLRSA-N 0 3 232.349 0.233 20 0 BCADHN CNC(=O)[C@H](CCSC)N[C@@H](C)[C@H](C)OC ZINC000336768539 173304891 /nfs/dbraw/zinc/30/48/91/173304891.db2.gz QYEJQSTWSCIBIH-GUBZILKMSA-N 0 3 248.392 0.867 20 0 BCADHN CNC(=O)[C@H]1CCCN(CCOCC2CC2)C1 ZINC000119689203 173306550 /nfs/dbraw/zinc/30/65/50/173306550.db2.gz XQCJEOAKTTYLEL-LBPRGKRZSA-N 0 3 240.347 0.871 20 0 BCADHN CNC(=O)[C@H]1CCCN1CCC[C@@H](C)O ZINC000354857492 173307125 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BCADHN CNCC(=O)N1CCSc2c1c(C)nn2C ZINC000374174245 173327612 /nfs/dbraw/zinc/32/76/12/173327612.db2.gz IXFPPUVWWRJRHT-UHFFFAOYSA-N 0 3 240.332 0.387 20 0 BCADHN CNCC(=O)N1CCc2c(F)cccc2C1 ZINC000281493412 173327889 /nfs/dbraw/zinc/32/78/89/173327889.db2.gz QOMDPDSTJFROBF-UHFFFAOYSA-N 0 3 222.263 0.930 20 0 BCADHN CNCC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000041679851 173327974 /nfs/dbraw/zinc/32/79/74/173327974.db2.gz MHJHKVDHAOKKKU-MRVPVSSYSA-N 0 3 200.282 0.232 20 0 BCADHN CNCC(=O)NCCCNc1ccc(C)cn1 ZINC000237222529 173328392 /nfs/dbraw/zinc/32/83/92/173328392.db2.gz KHFXNZXPPOIEDT-UHFFFAOYSA-N 0 3 236.319 0.528 20 0 BCADHN CNCC(=O)NCCCCCC(=O)OC ZINC000237220481 173328620 /nfs/dbraw/zinc/32/86/20/173328620.db2.gz UUVRWGRGWYLCDP-UHFFFAOYSA-N 0 3 216.281 0.055 20 0 BCADHN CNCC(=O)NCCc1nc(C)c(C)s1 ZINC000237228402 173328682 /nfs/dbraw/zinc/32/86/82/173328682.db2.gz FEIUJXNXWFPKFP-UHFFFAOYSA-N 0 3 227.333 0.638 20 0 BCADHN CNCC(=O)NCCOc1ccc(F)cc1 ZINC000077339928 173328837 /nfs/dbraw/zinc/32/88/37/173328837.db2.gz CGMDMABETUEEIJ-UHFFFAOYSA-N 0 3 226.251 0.540 20 0 BCADHN CNCC(=O)NCCCN1CCc2ccccc21 ZINC000040831572 173329108 /nfs/dbraw/zinc/32/91/08/173329108.db2.gz AWSKNMOZHKEHJK-UHFFFAOYSA-N 0 3 247.342 0.775 20 0 BCADHN CNCC(=O)NCCCOc1ccc(F)cc1 ZINC000153759182 173329451 /nfs/dbraw/zinc/32/94/51/173329451.db2.gz BUTLBAVJFSBBQL-UHFFFAOYSA-N 0 3 240.278 0.930 20 0 BCADHN CNCC(=O)NCC1(CCOC)CCC1 ZINC000237216717 173329621 /nfs/dbraw/zinc/32/96/21/173329621.db2.gz WUSPGVSNJDIGNG-UHFFFAOYSA-N 0 3 214.309 0.529 20 0 BCADHN CNCC(=O)NC[C@@H](O)c1ccc(C)cc1 ZINC000237233289 173329727 /nfs/dbraw/zinc/32/97/27/173329727.db2.gz VKLHHJRTLWSBBM-LLVKDONJSA-N 0 3 222.288 0.364 20 0 BCADHN CNCC(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000083887826 173329981 /nfs/dbraw/zinc/32/99/81/173329981.db2.gz XWJOPPQUGPAWDP-UHFFFAOYSA-N 0 3 236.250 0.538 20 0 BCADHN CNCC(=O)NCc1cccc(-n2cncn2)c1 ZINC000178547956 173330353 /nfs/dbraw/zinc/33/03/53/173330353.db2.gz JEDJLNDIQGMIBS-UHFFFAOYSA-N 0 3 245.286 0.103 20 0 BCADHN CNCC(=O)NCc1ccc(F)c(C)c1 ZINC000082595046 173330407 /nfs/dbraw/zinc/33/04/07/173330407.db2.gz VMEQUPGWVPAQMW-UHFFFAOYSA-N 0 3 210.252 0.970 20 0 BCADHN CNCC(=O)NCc1cn2cc(C)ccc2n1 ZINC000083909208 173330602 /nfs/dbraw/zinc/33/06/02/173330602.db2.gz HJZDIYJBCMJINT-UHFFFAOYSA-N 0 3 232.287 0.478 20 0 BCADHN CNCC(=O)NC[C@@H]1CCC[C@H]1OC ZINC000261528914 173330846 /nfs/dbraw/zinc/33/08/46/173330846.db2.gz WMOJVTUVSFXANT-DTWKUNHWSA-N 0 3 200.282 0.137 20 0 BCADHN CNCC(=O)NCc1cn2ccsc2n1 ZINC000261542551 173330860 /nfs/dbraw/zinc/33/08/60/173330860.db2.gz GXCFSAMOSKGRDP-UHFFFAOYSA-N 0 3 224.289 0.231 20 0 BCADHN CNCC(=O)NC[C@@H](O)c1ccccc1 ZINC000035605552 173330944 /nfs/dbraw/zinc/33/09/44/173330944.db2.gz CIGHSKVCWRIGAR-SNVBAGLBSA-N 0 3 208.261 0.056 20 0 BCADHN CNCC(=O)N[C@H](C)C1CCOCC1 ZINC000226371808 173331270 /nfs/dbraw/zinc/33/12/70/173331270.db2.gz KNMPEROBOZPABO-MRVPVSSYSA-N 0 3 200.282 0.137 20 0 BCADHN CNCC(=O)N[C@@H](CC(N)=O)C1CCCCC1 ZINC000237257720 173331674 /nfs/dbraw/zinc/33/16/74/173331674.db2.gz TURJHWHHUPGOHW-JTQLQIEISA-N 0 3 241.335 0.146 20 0 BCADHN CNCC(=O)N[C@H](C(=O)OC)c1ccccc1 ZINC000050512515 173332154 /nfs/dbraw/zinc/33/21/54/173332154.db2.gz STYMYDLMOIMKMF-NSHDSACASA-N 0 3 236.271 0.236 20 0 BCADHN CNCC(=O)N[C@H](C)c1nc2ccccc2n1C ZINC000083908968 173332433 /nfs/dbraw/zinc/33/24/33/173332433.db2.gz XYUKEDVKICTYOF-SECBINFHSA-N 0 3 246.314 0.970 20 0 BCADHN CNCC(=O)Nc1cc(Cl)c(=O)n(C)c1 ZINC000178648365 173332637 /nfs/dbraw/zinc/33/26/37/173332637.db2.gz HHVKJBUBVAIVNH-UHFFFAOYSA-N 0 3 229.667 0.197 20 0 BCADHN CNCC(=O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000269212448 173332768 /nfs/dbraw/zinc/33/27/68/173332768.db2.gz ICDGJVSMXWNAMJ-NEPJUHHUSA-N 0 3 218.300 0.953 20 0 BCADHN CNCC(=O)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000237274527 173332955 /nfs/dbraw/zinc/33/29/55/173332955.db2.gz UYZQWYFEGICWJQ-GZMMTYOYSA-N 0 3 214.309 0.526 20 0 BCADHN CNCC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000077416763 173332993 /nfs/dbraw/zinc/33/29/93/173332993.db2.gz KNFUGZIZQYJQJQ-MRVPVSSYSA-N 0 3 247.298 0.578 20 0 BCADHN CNCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000015377841 173333847 /nfs/dbraw/zinc/33/38/47/173333847.db2.gz YBEOEXMROISPQT-UHFFFAOYSA-N 0 3 247.298 0.971 20 0 BCADHN CNCC(=O)Nc1ccc(C(=O)NC)cc1 ZINC000035018051 173334176 /nfs/dbraw/zinc/33/41/76/173334176.db2.gz WPKGKUXHGMNVTC-UHFFFAOYSA-N 0 3 221.260 0.204 20 0 BCADHN CNCC(=O)Nc1cnn(CC(C)C)c1 ZINC000161642470 173335097 /nfs/dbraw/zinc/33/50/97/173335097.db2.gz ZXAFPQIPYXIQAI-UHFFFAOYSA-N 0 3 210.281 0.697 20 0 BCADHN CNCC(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000262655740 173335179 /nfs/dbraw/zinc/33/51/79/173335179.db2.gz UHSDFWOUFCEVTD-UHFFFAOYSA-N 0 3 245.286 0.484 20 0 BCADHN C[NH2+]CCCC(=O)Nc1ncccc1[O-] ZINC000128614807 173345270 /nfs/dbraw/zinc/34/52/70/173345270.db2.gz RFNKVUZREDCWRP-UHFFFAOYSA-N 0 3 209.249 0.725 20 0 BCADHN C[NH2+]CCC[N-]S(=O)(=O)c1ccco1 ZINC000336722511 173349408 /nfs/dbraw/zinc/34/94/08/173349408.db2.gz FEDACJFKTHRLBD-UHFFFAOYSA-N 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/nfs/dbraw/zinc/29/21/30/175292130.db2.gz CZWHFOOOMGKLRA-TVYUQYBPSA-N 0 3 237.299 0.794 20 0 BCADHN COc1cccc([C@H](C)N2C[C@H](O)[C@@H](O)C2)c1 ZINC000331282114 175292679 /nfs/dbraw/zinc/29/26/79/175292679.db2.gz CZWHFOOOMGKLRA-XDTLVQLUSA-N 0 3 237.299 0.794 20 0 BCADHN COc1ccccc1CCN(C)C(=O)CN ZINC000041240503 175322808 /nfs/dbraw/zinc/32/28/08/175322808.db2.gz FDRPMYBGYHTFFB-UHFFFAOYSA-N 0 3 222.288 0.655 20 0 BCADHN COc1ccccc1[C@H]1CCN(C(=O)CN)C1 ZINC000077368793 175354699 /nfs/dbraw/zinc/35/46/99/175354699.db2.gz GUHWQWOLLPENNI-JTQLQIEISA-N 0 3 234.299 0.970 20 0 BCADHN COc1ccnc(NCCN2CCCC2)n1 ZINC000162296111 175364588 /nfs/dbraw/zinc/36/45/88/175364588.db2.gz ZHPXLAHSQRCEPX-UHFFFAOYSA-N 0 3 222.292 0.993 20 0 BCADHN COc1ccncc1CN1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286741378 175369715 /nfs/dbraw/zinc/36/97/15/175369715.db2.gz DOMFYHZOFPXJJR-MWLCHTKSSA-N 0 3 249.314 0.643 20 0 BCADHN COc1nc(C)cc(N2CC(N(C)C)C2)n1 ZINC000354576365 175389872 /nfs/dbraw/zinc/38/98/72/175389872.db2.gz LPSJCUMRDJLSLP-UHFFFAOYSA-N 0 3 222.292 0.544 20 0 BCADHN CS(=O)(=O)CCN[C@H]1CCCSC1 ZINC000061588314 175423585 /nfs/dbraw/zinc/42/35/85/175423585.db2.gz WQXOCQHTXYOMMD-QMMMGPOBSA-N 0 3 223.363 0.516 20 0 BCADHN CSCC[C@@H](N)C(=O)Nc1nc(C)ns1 ZINC000157369599 175503565 /nfs/dbraw/zinc/50/35/65/175503565.db2.gz WAGYKGAAZCGVHT-ZCFIWIBFSA-N 0 3 246.361 0.865 20 0 BCADHN CSCC[C@H](N)C(=O)Nc1cc(C)nn1C ZINC000040458600 175507543 /nfs/dbraw/zinc/50/75/43/175507543.db2.gz ZIPMDYMSZWSKPI-QMMMGPOBSA-N 0 3 242.348 0.747 20 0 BCADHN CCN1CC[C@H](N[C@H](C)[C@@H](C)OC)C1=O ZINC000309044714 487631089 /nfs/dbraw/zinc/63/10/89/487631089.db2.gz NPAYZVRIOFLRIT-BBBLOLIVSA-N 0 3 214.309 0.620 20 0 BCADHN CCN1CC[C@H](N[C@@H](C)[C@@H](C)OC)C1=O ZINC000309044713 487631178 /nfs/dbraw/zinc/63/11/78/487631178.db2.gz NPAYZVRIOFLRIT-AEJSXWLSSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCC1(C)COC1 ZINC000353300886 175696835 /nfs/dbraw/zinc/69/68/35/175696835.db2.gz FNSOLOQMOURHEG-VIFPVBQESA-N 0 3 229.324 0.272 20 0 BCADHN C[C@@H](CNC(=O)Cc1cncnc1)N(C)C ZINC000352486045 175725057 /nfs/dbraw/zinc/72/50/57/175725057.db2.gz LPUCNVIOKUJWNS-VIFPVBQESA-N 0 3 222.292 0.085 20 0 BCADHN C[C@@H](N)C(=O)N(C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000378175677 175793404 /nfs/dbraw/zinc/79/34/04/175793404.db2.gz OLFNTHNZOWOHME-ZYUZMQFOSA-N 0 3 226.320 0.606 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000246663763 175799287 /nfs/dbraw/zinc/79/92/87/175799287.db2.gz LUORVTMGBDJZKN-UYZPKGHCSA-N 0 3 216.284 0.788 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)OCO2 ZINC000019966632 175800201 /nfs/dbraw/zinc/80/02/01/175800201.db2.gz IBPBHJCVXUJDFI-ZCFIWIBFSA-N 0 3 208.217 0.701 20 0 BCADHN C[C@@H](NC(=O)[C@@]1(F)CCNC1)C1CCOCC1 ZINC000366343635 175844573 /nfs/dbraw/zinc/84/45/73/175844573.db2.gz BNAKAZKBCZGXLP-BXKDBHETSA-N 0 3 244.310 0.619 20 0 BCADHN CCN(CCN)C(=O)C(=O)Nc1ccccc1C ZINC000626856194 487632133 /nfs/dbraw/zinc/63/21/33/487632133.db2.gz VKUFGLZZBSRSQQ-UHFFFAOYSA-N 0 3 249.314 0.741 20 0 BCADHN C[C@@H](O)CCNC(=O)[C@H](CN)c1ccccc1 ZINC000085989736 175958383 /nfs/dbraw/zinc/95/83/83/175958383.db2.gz ZJOZVHXPBXYGPS-ZYHUDNBSSA-N 0 3 236.315 0.616 20 0 BCADHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CO)C1 ZINC000331329300 176021572 /nfs/dbraw/zinc/02/15/72/176021572.db2.gz QLFNCEWXMXBIGD-AAEUAGOBSA-N 0 3 248.326 0.930 20 0 BCADHN C[C@@H](c1cccnc1)N(C)CCC(N)=O ZINC000286371340 176029551 /nfs/dbraw/zinc/02/95/51/176029551.db2.gz HYEBGNXCQMPZFL-VIFPVBQESA-N 0 3 207.277 0.950 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1[C@@H]1C=CCCC1 ZINC000295417295 176043804 /nfs/dbraw/zinc/04/38/04/176043804.db2.gz TXBQEQZSPGFFOF-RKDXNWHRSA-N 0 3 244.316 0.502 20 0 BCADHN C[C@@H]1CC(=O)NCCN1C[C@H]1CCOC1 ZINC000371195799 176049460 /nfs/dbraw/zinc/04/94/60/176049460.db2.gz ACRWVFADOFCQPW-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H]1CCCCN1CCNC(=O)CNC(N)=O ZINC000330664681 176070603 /nfs/dbraw/zinc/07/06/03/176070603.db2.gz UTRWXJYDBCSEBV-SECBINFHSA-N 0 3 242.323 0.059 20 0 BCADHN C[C@@H]1CCCN1C(=O)CCN1CC[C@@H](O)C1 ZINC000336461870 176103894 /nfs/dbraw/zinc/10/38/94/176103894.db2.gz FJPSGQBILHUOCX-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@@H]1CCCN1C(=O)[C@@H](N)CC(F)F ZINC000336353499 176106521 /nfs/dbraw/zinc/10/65/21/176106521.db2.gz IWLQGTMPXHVLEC-RQJHMYQMSA-N 0 3 206.236 0.980 20 0 BCADHN C[C@@H]1CCC[C@@H](CO)N1CC(=O)N(C)C1CC1 ZINC000305197002 176119514 /nfs/dbraw/zinc/11/95/14/176119514.db2.gz DTXNUYDDEHUCQT-PWSUYJOCSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H]1CCC[C@@H](N(C)CC(=O)NC(N)=O)C1 ZINC000026469275 176120724 /nfs/dbraw/zinc/12/07/24/176120724.db2.gz BXFCKDCYKBZGJI-RKDXNWHRSA-N 0 3 227.308 0.692 20 0 BCADHN C[C@@H]1CCC[C@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000333148404 176149109 /nfs/dbraw/zinc/14/91/09/176149109.db2.gz DXXZNTNMULJAMB-GMTAPVOTSA-N 0 3 241.335 0.463 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC000353997724 176166429 /nfs/dbraw/zinc/16/64/29/176166429.db2.gz IWYKFXIOXDZZLZ-SNVBAGLBSA-N 0 3 249.314 0.953 20 0 BCADHN C[C@@H]1CCN(CCN2CCCS2(=O)=O)C1 ZINC000336551574 176169348 /nfs/dbraw/zinc/16/93/48/176169348.db2.gz WMQCUGWLDIWQSO-SNVBAGLBSA-N 0 3 232.349 0.364 20 0 BCADHN C[C@@H]1CCN(CCN2CCOC[C@H]2C)C[C@@H]1O ZINC000337186766 176171318 /nfs/dbraw/zinc/17/13/18/176171318.db2.gz PMYVEHKSQAKTST-UPJWGTAASA-N 0 3 242.363 0.410 20 0 BCADHN C[C@@H]1CCN(Cc2cnc3cnccn23)[C@H]1CO ZINC000276695516 176178286 /nfs/dbraw/zinc/17/82/86/176178286.db2.gz DJZJWWSTRMVSKN-PWSUYJOCSA-N 0 3 246.314 0.932 20 0 BCADHN C[C@H](CN1CCOCC1)N1CC[C@@H](C)[C@@H](O)C1 ZINC000305758880 176180093 /nfs/dbraw/zinc/18/00/93/176180093.db2.gz CMFUWNQQZPEOQZ-UPJWGTAASA-N 0 3 242.363 0.410 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCCc1ccncc1 ZINC000289377567 176184311 /nfs/dbraw/zinc/18/43/11/176184311.db2.gz KWFZKXJIAXKFIK-PWSUYJOCSA-N 0 3 233.315 0.738 20 0 BCADHN C[C@@H]1CCNC[C@@H]1NS(=O)(=O)C1CC1 ZINC000070908495 176185486 /nfs/dbraw/zinc/18/54/86/176185486.db2.gz JBNAUNGYOVBUKR-APPZFPTMSA-N 0 3 218.322 0.066 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000127166075 176186908 /nfs/dbraw/zinc/18/69/08/176186908.db2.gz WHTWQCWPAOGIQG-MNOVXSKESA-N 0 3 248.330 0.613 20 0 BCADHN C[C@@H]1CCO[C@H]1C(=O)N1CCN2CCC[C@H]2C1 ZINC000371242403 176194030 /nfs/dbraw/zinc/19/40/30/176194030.db2.gz GJFLFGYRRUEZAI-GRYCIOLGSA-N 0 3 238.331 0.718 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H](O)C1CC1 ZINC000331428187 176199296 /nfs/dbraw/zinc/19/92/96/176199296.db2.gz FJLXGSPMQQHLLC-FOGDFJRCSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@@H]1CC[C@H](CN(C)[C@@]2(CO)CCOC2)O1 ZINC000355320723 176224078 /nfs/dbraw/zinc/22/40/78/176224078.db2.gz RXJALKGVZVDJHC-IJLUTSLNSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCC[C@H]3C(=O)NC[C@H]32)O1 ZINC000337213795 176224257 /nfs/dbraw/zinc/22/42/57/176224257.db2.gz DFOGGWCFFGHYQF-DDHJBXDOSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCSC[C@H]2CO)O1 ZINC000354708041 176224823 /nfs/dbraw/zinc/22/48/23/176224823.db2.gz ATRVBUQWQZWSAS-GMTAPVOTSA-N 0 3 231.361 0.964 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCNC(=O)C[C@H]2C)O1 ZINC000365038149 176225326 /nfs/dbraw/zinc/22/53/26/176225326.db2.gz PQRVKZGKKAOLSE-GMTAPVOTSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000358510653 176252356 /nfs/dbraw/zinc/25/23/56/176252356.db2.gz WRQXXYQXKZPVDS-MXWKQRLJSA-N 0 3 243.351 0.206 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)C2CCC2)C[C@@H](C)O1 ZINC000332435584 176253549 /nfs/dbraw/zinc/25/35/49/176253549.db2.gz KBOJWBGMXHUQPE-KKZNHRDASA-N 0 3 226.320 0.750 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)CCCO1 ZINC000309340632 176254003 /nfs/dbraw/zinc/25/40/03/176254003.db2.gz VFURXVVBDIYAMD-SFYZADRCSA-N 0 3 236.262 0.606 20 0 BCADHN C[C@@H](N)C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000041679791 176254174 /nfs/dbraw/zinc/25/41/74/176254174.db2.gz WNFPYWZOYSQORD-HTQZYQBOSA-N 0 3 200.282 0.360 20 0 BCADHN C[C@H](O)C(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346202197 176257051 /nfs/dbraw/zinc/25/70/51/176257051.db2.gz SYSDIJFNDYGEFE-BJDJZHNGSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CCCO2)[C@H](C)CN1 ZINC000163650212 176258674 /nfs/dbraw/zinc/25/86/74/176258674.db2.gz YADYLRYPZVVJPG-OPRDCNLKSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)[C@H](C)CN1 ZINC000237475781 176260357 /nfs/dbraw/zinc/26/03/57/176260357.db2.gz MSQVUEWPSYSMBC-NXEZZACHSA-N 0 3 249.314 0.208 20 0 BCADHN C[C@@H]1CN(C(=O)c2cc[nH]n2)CCN(C2CC2)C1 ZINC000295435888 176260401 /nfs/dbraw/zinc/26/04/01/176260401.db2.gz VGXCDGSQWXHJPJ-JTQLQIEISA-N 0 3 248.330 0.966 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccn[nH]2)CCN(C2CC2)C1 ZINC000295435888 176260402 /nfs/dbraw/zinc/26/04/02/176260402.db2.gz VGXCDGSQWXHJPJ-JTQLQIEISA-N 0 3 248.330 0.966 20 0 BCADHN C[C@@H]1CN(C(=O)c2csnn2)[C@H](C)CN1 ZINC000083592117 176266032 /nfs/dbraw/zinc/26/60/32/176266032.db2.gz COTBGTOJOVVXTI-RNFRBKRXSA-N 0 3 226.305 0.361 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCc1nnc2n1CCCC2 ZINC000354982984 176274370 /nfs/dbraw/zinc/27/43/70/176274370.db2.gz NCGJYZPCBDKSNZ-MNOVXSKESA-N 0 3 249.362 0.654 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1c1nc(N(C)C)no1 ZINC000359881393 176274383 /nfs/dbraw/zinc/27/43/83/176274383.db2.gz REIXQFRCEOLIGQ-SFYZADRCSA-N 0 3 210.281 0.801 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1C(=O)Nc1nncs1 ZINC000341521172 176277010 /nfs/dbraw/zinc/27/70/10/176277010.db2.gz XRYYVTWQGCYURE-RNFRBKRXSA-N 0 3 226.305 0.674 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccn[nH]1 ZINC000268147624 176281575 /nfs/dbraw/zinc/28/15/75/176281575.db2.gz AZDUBBRSGUVXLG-LDYMZIIASA-N 0 3 234.303 0.622 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(C)cn1 ZINC000270408059 176281755 /nfs/dbraw/zinc/28/17/55/176281755.db2.gz WYPVIQHPLBWGCE-MWLCHTKSSA-N 0 3 248.330 0.633 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000268176057 176282276 /nfs/dbraw/zinc/28/22/76/176282276.db2.gz KPOSDTQFVZJXJE-LDYMZIIASA-N 0 3 234.303 0.622 20 0 BCADHN C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@@H]1CO ZINC000362073567 176283925 /nfs/dbraw/zinc/28/39/25/176283925.db2.gz XSOLKDCZMBNULK-ZYHUDNBSSA-N 0 3 240.347 0.415 20 0 BCADHN C[C@@H]1CN(CC2CCCC2)C[C@H](C(N)=O)O1 ZINC000122708610 176285895 /nfs/dbraw/zinc/28/58/95/176285895.db2.gz VAJUTJZYAFXISJ-MWLCHTKSSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H]1CN(CCN2CCCOCC2)C[C@H]1O ZINC000361349202 176291410 /nfs/dbraw/zinc/29/14/10/176291410.db2.gz SJQBBGYNQRIJQJ-VXGBXAGGSA-N 0 3 228.336 0.021 20 0 BCADHN C[C@@H]1CN(C[C@@](C)(O)C(F)(F)F)C[C@@H]1CO ZINC000337232390 176299514 /nfs/dbraw/zinc/29/95/14/176299514.db2.gz JKSVRKIWCNIOFL-IWSPIJDZSA-N 0 3 241.253 0.860 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCOC2)C[C@]2(CCOC2)O1 ZINC000361512049 176300703 /nfs/dbraw/zinc/30/07/03/176300703.db2.gz WYGSVVBKROJTTK-UPJWGTAASA-N 0 3 241.331 0.903 20 0 BCADHN C[C@@H]1CN(Cc2ccnn2C)C[C@H]1CO ZINC000191719623 176309471 /nfs/dbraw/zinc/30/94/71/176309471.db2.gz LXZVWOYETIPWIK-ZJUUUORDSA-N 0 3 209.293 0.480 20 0 BCADHN C[C@@H]1CN(Cc2cnnn2C)C[C@@H](C)N1C ZINC000339628098 176310819 /nfs/dbraw/zinc/31/08/19/176310819.db2.gz LKFYMLJLQCXBHV-NXEZZACHSA-N 0 3 223.324 0.340 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H](C)N1C ZINC000336889721 176315844 /nfs/dbraw/zinc/31/58/44/176315844.db2.gz MQZQWOAVPVTCHT-GMTAPVOTSA-N 0 3 225.336 0.289 20 0 BCADHN C[C@H](C(=O)N1CCCCC1)N1C[C@@H](C)[C@H](O)C1 ZINC000351814355 176316719 /nfs/dbraw/zinc/31/67/19/176316719.db2.gz SQQYAOCNBOPAIA-IJLUTSLNSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CN([C@H]2CCN(C3CC3)C2=O)CC[C@H]1O ZINC000336725213 176317490 /nfs/dbraw/zinc/31/74/90/176317490.db2.gz QVBLWLZNDZTLNW-ADEWGFFLSA-N 0 3 238.331 0.452 20 0 BCADHN C[C@@H]1CN([C@H]2CCN(C3CC3)C2=O)CC[C@@H]1O ZINC000336725215 176318092 /nfs/dbraw/zinc/31/80/92/176318092.db2.gz QVBLWLZNDZTLNW-USWWRNFRSA-N 0 3 238.331 0.452 20 0 BCADHN C[C@@H]1CNCCN1C(=O)c1ccccc1O ZINC000054370265 176326421 /nfs/dbraw/zinc/32/64/21/176326421.db2.gz NOCGQXLXALFYEA-SECBINFHSA-N 0 3 220.272 0.826 20 0 BCADHN C[C@@H]1COCCN(CCCN2CCOCC2)C1 ZINC000374343297 176333503 /nfs/dbraw/zinc/33/35/03/176333503.db2.gz XOSVAKBMILOEIA-ZDUSSCGKSA-N 0 3 242.363 0.677 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CCN1CCOC[C@H]1C ZINC000337197893 176336568 /nfs/dbraw/zinc/33/65/68/176336568.db2.gz ZCLCYUNFXFRGCI-IJLUTSLNSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@@H]1CSCCN1C[C@@H](O)CN(C)C1CC1 ZINC000336671383 176351554 /nfs/dbraw/zinc/35/15/54/176351554.db2.gz SFQUDCHYOLAZBG-PWSUYJOCSA-N 0 3 244.404 0.879 20 0 BCADHN C[C@@H]1C[C@@H](C)N(CCNS(C)(=O)=O)C1 ZINC000336553318 176363334 /nfs/dbraw/zinc/36/33/34/176363334.db2.gz PNHAVEKKZQXUKE-RKDXNWHRSA-N 0 3 220.338 0.266 20 0 BCADHN C[C@@H]1C[C@@H](C)[C@H](C(=O)N(C)CCN(C)C)O1 ZINC000337427648 176365634 /nfs/dbraw/zinc/36/56/34/176365634.db2.gz ZOYRZBHLALFBOX-GMTAPVOTSA-N 0 3 228.336 0.820 20 0 BCADHN C[C@@H]1C[C@@H](C)[C@H](C(=O)NCCN(C)C)O1 ZINC000337217945 176366999 /nfs/dbraw/zinc/36/69/99/176366999.db2.gz ITJICRRNQIVZCB-OPRDCNLKSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@@H]1C[C@@H](CN(C)[C@H]2CCN(C)C2=O)CCO1 ZINC000352667807 176367858 /nfs/dbraw/zinc/36/78/58/176367858.db2.gz NKCWLMGXDVOLKC-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1C[C@@H](CN(C)CC(=O)N(C)C)CCO1 ZINC000352739102 176367926 /nfs/dbraw/zinc/36/79/26/176367926.db2.gz KYBJJOATXSXMND-MNOVXSKESA-N 0 3 228.336 0.822 20 0 BCADHN C[C@@H]1C[C@@H](CNC(=O)[C@H]2C[C@H](F)CN2)CCO1 ZINC000364218587 176369517 /nfs/dbraw/zinc/36/95/17/176369517.db2.gz HOSNLAOLZOIWFL-VPOLOUISSA-N 0 3 244.310 0.618 20 0 BCADHN C[C@@H]1C[C@@H](N2CCCC2)CN1[C@H]1CCNC1=O ZINC000352792961 176372806 /nfs/dbraw/zinc/37/28/06/176372806.db2.gz OCQQSEMQYCPYFL-UTUOFQBUSA-N 0 3 237.347 0.434 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)NC[C@@](C)(O)CN(C)C ZINC000337436219 176393970 /nfs/dbraw/zinc/39/39/70/176393970.db2.gz WRKWIIVDSUKGDU-CKYFFXLPSA-N 0 3 243.351 0.254 20 0 BCADHN C[C@@H]1C[C@@]2(C[C@@H]2C(=O)NCCN(C)C)CCO1 ZINC000368310568 176449255 /nfs/dbraw/zinc/44/92/55/176449255.db2.gz PPMNOYSXHNFSEQ-NQBHXWOUSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H]1OCC[C@@]1(O)CNCc1cncc(F)c1 ZINC000227971437 176476097 /nfs/dbraw/zinc/47/60/97/176476097.db2.gz PFBCJHWPJYRGLV-JOYOIKCWSA-N 0 3 240.278 0.850 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(C)Cc1cc[nH]n1 ZINC000358494002 176650166 /nfs/dbraw/zinc/65/01/66/176650166.db2.gz HMRMIHCOHGPWFH-SECBINFHSA-N 0 3 239.323 0.501 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@]1(C)CCOC1 ZINC000353294134 176651456 /nfs/dbraw/zinc/65/14/56/176651456.db2.gz ICVJYWXALMFYQP-PWSUYJOCSA-N 0 3 243.351 0.662 20 0 BCADHN C[C@H](CNC(=O)CN1CCCCC1=O)N(C)C ZINC000330549693 176672967 /nfs/dbraw/zinc/67/29/67/176672967.db2.gz BMXALVRTWFENLG-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)/C=C/CN(C)C ZINC000265861582 176998266 /nfs/dbraw/zinc/99/82/66/176998266.db2.gz GSDOBDJNHOQHSG-PZIAFJOJSA-N 0 3 228.336 0.627 20 0 BCADHN C[C@H](O)C[C@H]1CCCCCN1CC(N)=O ZINC000163135285 177001702 /nfs/dbraw/zinc/00/17/02/177001702.db2.gz INPGBANQBSSTPX-VHSXEESVSA-N 0 3 214.309 0.487 20 0 BCADHN C[C@H](O)[C@@H]1CCN(CCN2CCCC2=O)C1 ZINC000305793483 177009591 /nfs/dbraw/zinc/00/95/91/177009591.db2.gz DPPCJVSNESZDDX-WDEREUQCSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@H](O)[C@H]1CCCCN1CC(=O)N(C)C ZINC000303992527 177013512 /nfs/dbraw/zinc/01/35/12/177013512.db2.gz NBMXJDNEOKSUIB-VHSXEESVSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@H](O)[C@H]1CCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000305829671 177015591 /nfs/dbraw/zinc/01/55/91/177015591.db2.gz USDUYHXOBYXGGO-NHCYSSNCSA-N 0 3 238.331 0.452 20 0 BCADHN C[C@H](c1ccccn1)N(C)CCC(N)=O ZINC000286613432 177043195 /nfs/dbraw/zinc/04/31/95/177043195.db2.gz XHJVRFORFNQAQA-SECBINFHSA-N 0 3 207.277 0.950 20 0 BCADHN C[C@H](c1ccccn1)N1CCC[C@](O)(C(N)=O)C1 ZINC000286101245 177043904 /nfs/dbraw/zinc/04/39/04/177043904.db2.gz IKQJSRDHKZHHDB-ZWNOBZJWSA-N 0 3 249.314 0.455 20 0 BCADHN C[C@H]1C(=O)NCCN1C[C@H](O)CN(C)C1CC1 ZINC000328682324 177060309 /nfs/dbraw/zinc/06/03/09/177060309.db2.gz VQHXKUPRKYTCJL-GXSJLCMTSA-N 0 3 241.335 0.102 20 0 BCADHN C[C@H]1CCCN(CC(=O)N2CCNC2=O)C1 ZINC000007787540 177096251 /nfs/dbraw/zinc/09/62/51/177096251.db2.gz HYWAIGXNTGXOQK-VIFPVBQESA-N 0 3 225.292 0.270 20 0 BCADHN C[C@H]1CCCN(CCN2CCCS2(=O)=O)C1 ZINC000336475859 177098092 /nfs/dbraw/zinc/09/80/92/177098092.db2.gz BMWOGFKIOODHNP-NSHDSACASA-N 0 3 246.376 0.754 20 0 BCADHN C[C@H]1CCCN(CCNC(=O)C2(C)COC2)C1 ZINC000360513589 177098159 /nfs/dbraw/zinc/09/81/59/177098159.db2.gz ZLYYOHYWPVWILS-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN C[C@H]1CCCN1C(=O)C1(N)CCOCC1 ZINC000149686431 177105648 /nfs/dbraw/zinc/10/56/48/177105648.db2.gz BOAIXBKRULSFGT-VIFPVBQESA-N 0 3 212.293 0.505 20 0 BCADHN C[C@H]1CCCN1S(=O)(=O)[C@@H]1CCCNC1 ZINC000037912244 177111685 /nfs/dbraw/zinc/11/16/85/177111685.db2.gz WPAOAYCKZUTMNZ-VHSXEESVSA-N 0 3 232.349 0.553 20 0 BCADHN C[C@@H]1CCC[C@H](C)N(CC(=O)NC(N)=O)C1 ZINC000125214448 177114994 /nfs/dbraw/zinc/11/49/94/177114994.db2.gz ZISVKKZBRDXBFU-BDAKNGLRSA-N 0 3 227.308 0.692 20 0 BCADHN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCNCC1 ZINC000020521281 177115434 /nfs/dbraw/zinc/11/54/34/177115434.db2.gz DRIXFYLGRCURFF-TXEJJXNPSA-N 0 3 239.363 0.681 20 0 BCADHN C[C@@H]1[C@@H](C)CCN1C(=O)[C@H]1C[C@H](F)CN1 ZINC000188669923 177152394 /nfs/dbraw/zinc/15/23/94/177152394.db2.gz HFWHKEBRSJPYQA-QCLAVDOMSA-N 0 3 214.284 0.943 20 0 BCADHN C[C@H]1CCN(C)CCN1c1nccn2cnnc12 ZINC000356735042 177157141 /nfs/dbraw/zinc/15/71/41/177157141.db2.gz DOBSIHLFTODWCX-JTQLQIEISA-N 0 3 246.318 0.655 20 0 BCADHN C[C@H]1CCN(CCN2CCCS2(=O)=O)C1 ZINC000336551573 177160326 /nfs/dbraw/zinc/16/03/26/177160326.db2.gz WMQCUGWLDIWQSO-JTQLQIEISA-N 0 3 232.349 0.364 20 0 BCADHN C[C@H]1CCN(CCN2CCCOCC2)C[C@@H]1O ZINC000361353065 177160923 /nfs/dbraw/zinc/16/09/23/177160923.db2.gz GZSMWGJLRUQNDL-STQMWFEESA-N 0 3 242.363 0.411 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@H](C)[C@@H](O)C2)CCO1 ZINC000337296074 177161109 /nfs/dbraw/zinc/16/11/09/177161109.db2.gz JDSHDCBICNSTNX-XQQFMLRXSA-N 0 3 242.363 0.410 20 0 BCADHN C[C@H]1CCN(Cc2cccc(C(N)=O)c2)[C@H]1CO ZINC000248872275 177166090 /nfs/dbraw/zinc/16/60/90/177166090.db2.gz BWEAKNYLQOWFOK-GWCFXTLKSA-N 0 3 248.326 0.988 20 0 BCADHN C[C@H]1CCNC(=O)[C@H]1NCCc1cnn(C)c1 ZINC000282466091 177173311 /nfs/dbraw/zinc/17/33/11/177173311.db2.gz UHELTKUKNPEIFG-ONGXEEELSA-N 0 3 236.319 0.077 20 0 BCADHN C[C@H]1CCNC(=O)[C@H]1NCCOC1CCC1 ZINC000309515501 177173365 /nfs/dbraw/zinc/17/33/65/177173365.db2.gz YMMRNYNHFIMLJF-ONGXEEELSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCC1=CCCOC1 ZINC000193674478 177173377 /nfs/dbraw/zinc/17/33/77/177173377.db2.gz RTVWIEHIKHGJPP-GXSJLCMTSA-N 0 3 224.304 0.447 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCCc1cccnc1 ZINC000331286571 177173691 /nfs/dbraw/zinc/17/36/91/177173691.db2.gz YKWGGKMMRAGJDU-CMPLNLGQSA-N 0 3 233.315 0.738 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCCc1ccncc1 ZINC000289377564 177173748 /nfs/dbraw/zinc/17/37/48/177173748.db2.gz KWFZKXJIAXKFIK-CMPLNLGQSA-N 0 3 233.315 0.738 20 0 BCADHN C[C@H]1CCNC[C@@H]1NS(=O)(=O)CC1CCC1 ZINC000335586574 177174598 /nfs/dbraw/zinc/17/45/98/177174598.db2.gz LWNSZWSOXVHCIO-ONGXEEELSA-N 0 3 246.376 0.704 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)Nc2ccc(=O)n(C)c2)C1 ZINC000126528871 177175290 /nfs/dbraw/zinc/17/52/90/177175290.db2.gz WGUBHRDSULVCEO-GXSJLCMTSA-N 0 3 249.314 0.712 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000127166718 177175722 /nfs/dbraw/zinc/17/57/22/177175722.db2.gz WHTWQCWPAOGIQG-WDEREUQCSA-N 0 3 248.330 0.613 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)NCCOCC2CC2)C1 ZINC000235644552 177175854 /nfs/dbraw/zinc/17/58/54/177175854.db2.gz WFDPBPAMWQMDBU-CMPLNLGQSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)NCCn2cccn2)C1 ZINC000127003438 177176213 /nfs/dbraw/zinc/17/62/13/177176213.db2.gz RWSVBGBSPDZQQL-QWRGUYRKSA-N 0 3 236.319 0.387 20 0 BCADHN C[C@H]1CCOCCN1C(=O)/C=C/CN(C)C ZINC000375006707 177176357 /nfs/dbraw/zinc/17/63/57/177176357.db2.gz WADGTCIDBAUDGS-ZWNMCFTASA-N 0 3 226.320 0.742 20 0 BCADHN C[C@@H]1COCCN1CCN1CCOCC[C@@H]1C ZINC000369191628 177177075 /nfs/dbraw/zinc/17/70/75/177177075.db2.gz BDBHDGQUGBLJTL-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cnn(C)c1 ZINC000103283861 177181667 /nfs/dbraw/zinc/18/16/67/177181667.db2.gz WWOMSIXFGFOMMV-GXSJLCMTSA-N 0 3 236.319 0.506 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1c[nH]cn1 ZINC000331274813 177185655 /nfs/dbraw/zinc/18/56/55/177185655.db2.gz DNTKDTFVMSUNJI-AOOOYVTPSA-N 0 3 236.319 0.899 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cnc[nH]1 ZINC000331274813 177185656 /nfs/dbraw/zinc/18/56/56/177185656.db2.gz DNTKDTFVMSUNJI-AOOOYVTPSA-N 0 3 236.319 0.899 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCOCC1 ZINC000120139870 177186276 /nfs/dbraw/zinc/18/62/76/177186276.db2.gz QGXFAMKNEFSREU-PHIMTYICSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H](C(=O)NCCCO)N1[C@H](C)CC[C@@H]1C ZINC000305120857 177186871 /nfs/dbraw/zinc/18/68/71/177186871.db2.gz MMJAKXFUWZEGBM-AXFHLTTASA-N 0 3 228.336 0.746 20 0 BCADHN C[C@@H](C(=O)N1CC[C@@H](O)C1)N1[C@H](C)CC[C@@H]1C ZINC000305144840 177187376 /nfs/dbraw/zinc/18/73/76/177187376.db2.gz NERHQZWJJXSGNP-WHOHXGKFSA-N 0 3 240.347 0.841 20 0 BCADHN C[C@H]1CN(C(=O)Cn2cccn2)[C@@H](C)CN1 ZINC000083118216 177219249 /nfs/dbraw/zinc/21/92/49/177219249.db2.gz TVSJKEZMTBDEGI-UWVGGRQHSA-N 0 3 222.292 0.092 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2)C[C@H](C)O1 ZINC000019409359 177223378 /nfs/dbraw/zinc/22/33/78/177223378.db2.gz AHOAANZCHLOTSA-AXFHLTTASA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCO1 ZINC000019435323 177223667 /nfs/dbraw/zinc/22/36/67/177223667.db2.gz JFZDIRWSAPUMGX-WCQYABFASA-N 0 3 248.326 0.804 20 0 BCADHN C[C@H]1CN(C(=O)c2cocn2)[C@@H](C)CN1 ZINC000272587379 177231920 /nfs/dbraw/zinc/23/19/20/177231920.db2.gz RLKZOVNVOKCIJI-YUMQZZPRSA-N 0 3 209.249 0.497 20 0 BCADHN C[C@H]1CN(C)CCN1C(=O)[C@H]1CCCCN1 ZINC000226401359 177232825 /nfs/dbraw/zinc/23/28/25/177232825.db2.gz HQUPWFBDANAVHJ-WDEREUQCSA-N 0 3 225.336 0.291 20 0 BCADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1c[nH]cn1 ZINC000357308896 177233664 /nfs/dbraw/zinc/23/36/64/177233664.db2.gz YZKAESIFFGVFMC-GXSJLCMTSA-N 0 3 236.319 0.822 20 0 BCADHN C[C@H]1CN(C)C[C@@H]1NCC(=O)NC(C)(C)C ZINC000309467640 177235661 /nfs/dbraw/zinc/23/56/61/177235661.db2.gz QHGSFWLCMXYOIH-UWVGGRQHSA-N 0 3 227.352 0.441 20 0 BCADHN C[C@H]1CN(C)C[C@@H]1NCc1cnn(C)c1 ZINC000309148914 177236204 /nfs/dbraw/zinc/23/62/04/177236204.db2.gz VYBWWGIRIFNOMA-ONGXEEELSA-N 0 3 208.309 0.460 20 0 BCADHN C[C@H]1CN(C)C[C@@H]1c1nc(N(C)C)no1 ZINC000359881394 177236728 /nfs/dbraw/zinc/23/67/28/177236728.db2.gz REIXQFRCEOLIGQ-YUMQZZPRSA-N 0 3 210.281 0.801 20 0 BCADHN C[C@@H]1CN(CCn2cccn2)[C@@H](C)CN1C ZINC000336437095 177238797 /nfs/dbraw/zinc/23/87/97/177238797.db2.gz VXMHQLBETHMGJS-NEPJUHHUSA-N 0 3 222.336 0.908 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(C)cn1 ZINC000270408062 177240493 /nfs/dbraw/zinc/24/04/93/177240493.db2.gz WYPVIQHPLBWGCE-ONGXEEELSA-N 0 3 248.330 0.633 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnn(C)c1 ZINC000268281505 177241251 /nfs/dbraw/zinc/24/12/51/177241251.db2.gz XFMKOGHRYGFYKF-CABZTGNLSA-N 0 3 248.330 0.633 20 0 BCADHN C[C@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CO ZINC000362073566 177241974 /nfs/dbraw/zinc/24/19/74/177241974.db2.gz XSOLKDCZMBNULK-JQWIXIFHSA-N 0 3 240.347 0.415 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cocn1 ZINC000268207677 177242632 /nfs/dbraw/zinc/24/26/32/177242632.db2.gz KDQIPCVOWAZNPN-WCBMZHEXSA-N 0 3 235.287 0.887 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000268176054 177242732 /nfs/dbraw/zinc/24/27/32/177242732.db2.gz KPOSDTQFVZJXJE-GZMMTYOYSA-N 0 3 234.303 0.622 20 0 BCADHN C[C@@H](O)CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000105902533 177244573 /nfs/dbraw/zinc/24/45/73/177244573.db2.gz CGBUIGFUTHVGEO-WDEREUQCSA-N 0 3 230.352 0.144 20 0 BCADHN C[C@H]1CN(CCN2CC[C@@H](O)C2(C)C)CCO1 ZINC000361415211 177251060 /nfs/dbraw/zinc/25/10/60/177251060.db2.gz NRQXOFBHVLEXBO-NWDGAFQWSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@H]1CN(CCN(C)CC2(O)CCC2)CCO1 ZINC000337327793 177251502 /nfs/dbraw/zinc/25/15/02/177251502.db2.gz XVZDANBGRBZXMR-LBPRGKRZSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@H]1CN(CCOCCO)C[C@H](C)N1C ZINC000123579199 177252778 /nfs/dbraw/zinc/25/27/78/177252778.db2.gz MBPASGDQVMWCIB-QWRGUYRKSA-N 0 3 216.325 0.020 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CN(C)C2CC2)C[C@H](C)O1 ZINC000310246416 177257386 /nfs/dbraw/zinc/25/73/86/177257386.db2.gz DZFHCYKOMLOVDF-LOWVWBTDSA-N 0 3 242.363 0.551 20 0 BCADHN C[C@H]1CN(C[C@@H]2CNCCO2)CCCO1 ZINC000061934656 177258085 /nfs/dbraw/zinc/25/80/85/177258085.db2.gz QSYNFAZARYNAOR-QWRGUYRKSA-N 0 3 214.309 0.086 20 0 BCADHN C[C@H]1CN(Cc2ccccc2)CCN1C(=O)CN ZINC000168676061 177265479 /nfs/dbraw/zinc/26/54/79/177265479.db2.gz WJSTUFZWGWIJGM-LBPRGKRZSA-N 0 3 247.342 0.678 20 0 BCADHN C[C@@H]1CN(Cc2cnn(C)c2)C[C@H](C)N1C ZINC000293460258 177269109 /nfs/dbraw/zinc/26/91/09/177269109.db2.gz QCUHUXDBZYYPKL-PHIMTYICSA-N 0 3 222.336 0.945 20 0 BCADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1nc[nH]n1 ZINC000251763472 177279620 /nfs/dbraw/zinc/27/96/20/177279620.db2.gz LYMRMRWGGAZAAE-IUCAKERBSA-N 0 3 235.291 0.113 20 0 BCADHN 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C[C@H]1C[C@H](NC(=O)c2cnc[nH]2)CN1C1CC1 ZINC000267901406 177368456 /nfs/dbraw/zinc/36/84/56/177368456.db2.gz ALWZGKMSNRGEKZ-IUCAKERBSA-N 0 3 234.303 0.765 20 0 BCADHN C[C@H]1C[C@H]1CC(=O)NCC1(O)CCN(C)CC1 ZINC000354639798 177377922 /nfs/dbraw/zinc/37/79/22/177377922.db2.gz NJQDZCSLSPOMHI-QWRGUYRKSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H]1C[C@H]1CNC(=O)N1CCOC2(CNC2)C1 ZINC000333936454 177380080 /nfs/dbraw/zinc/38/00/80/177380080.db2.gz KLKQFJVGFJZEGS-UWVGGRQHSA-N 0 3 239.319 0.026 20 0 BCADHN C[C@H]1C[C@H]1CNCc1cc(C(N)=O)no1 ZINC000336747316 177381531 /nfs/dbraw/zinc/38/15/31/177381531.db2.gz CIMKFKXUWFSKPS-BQBZGAKWSA-N 0 3 209.249 0.519 20 0 BCADHN C[C@H]1NCCN(C(=O)c2csnn2)[C@@H]1C ZINC000261542321 177396767 /nfs/dbraw/zinc/39/67/67/177396767.db2.gz GQLIKPAOBFYHEU-RNFRBKRXSA-N 0 3 226.305 0.361 20 0 BCADHN C[C@H]1NCCN(C(=O)CCn2cccn2)[C@@H]1C ZINC000262712978 177396772 /nfs/dbraw/zinc/39/67/72/177396772.db2.gz CYRRVXZDFQJLOQ-GHMZBOCLSA-N 0 3 236.319 0.482 20 0 BCADHN 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CN(C)C(=O)OC1CCN(CCO)CC1 ZINC000496561344 226308287 /nfs/dbraw/zinc/30/82/87/226308287.db2.gz GHIWEVGFMPEEJU-UHFFFAOYSA-N 0 3 216.281 0.141 20 0 BCADHN CO[C@@H]1CCCN(C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496583607 226308792 /nfs/dbraw/zinc/30/87/92/226308792.db2.gz MYNZNEZHEDSNHJ-ZJUUUORDSA-N 0 3 228.292 0.548 20 0 BCADHN CN(C)C(=O)O[C@@H]1CCN(CC(C)(C)O)C1 ZINC000496755458 226313438 /nfs/dbraw/zinc/31/34/38/226313438.db2.gz GZCMXYISXDBMAW-SECBINFHSA-N 0 3 230.308 0.530 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CN(C)C(=O)O2)C[C@H](C)N1C ZINC000496928022 226317832 /nfs/dbraw/zinc/31/78/32/226317832.db2.gz PFGUUXUUCJZQTD-AXFHLTTASA-N 0 3 241.335 0.461 20 0 BCADHN C[C@H](O)CCN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000497095361 226322159 /nfs/dbraw/zinc/32/21/59/226322159.db2.gz NHDWGGZSVPRYGV-VHSXEESVSA-N 0 3 230.308 0.530 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)C[C@@H]1CCOC1 ZINC000401311022 226354719 /nfs/dbraw/zinc/35/47/19/226354719.db2.gz PDLIXTXXJUIIGM-AXFHLTTASA-N 0 3 226.320 0.622 20 0 BCADHN O=C(CC[C@H]1CCOC1)N1CCCNCC1 ZINC000401374861 226355734 /nfs/dbraw/zinc/35/57/34/226355734.db2.gz MKVXQTABUYDWMH-NSHDSACASA-N 0 3 226.320 0.625 20 0 BCADHN COCCOCCN1C[C@H](O)C[C@H](C)C1 ZINC000401710923 226361371 /nfs/dbraw/zinc/36/13/71/226361371.db2.gz TTZHWVZQXVCKAM-WDEREUQCSA-N 0 3 217.309 0.352 20 0 BCADHN Cc1nc(CCN(C)CCCCO)no1 ZINC000507287068 226368156 /nfs/dbraw/zinc/36/81/56/226368156.db2.gz XWVRUQNZVYJLJG-UHFFFAOYSA-N 0 3 213.281 0.625 20 0 BCADHN C[C@@H](CO)N(C)CCNC(=O)OC(C)(C)C ZINC000495784098 226289070 /nfs/dbraw/zinc/28/90/70/226289070.db2.gz DTLIIVYNFIMMOH-VIFPVBQESA-N 0 3 232.324 0.824 20 0 BCADHN CN(C)C(=O)O[C@@H]1CCCN(CCCO)C1 ZINC000496088044 226296438 /nfs/dbraw/zinc/29/64/38/226296438.db2.gz HTMRFHZJJPPGSY-SNVBAGLBSA-N 0 3 230.308 0.531 20 0 BCADHN CN(C)C(=O)O[C@@H]1CCN(CCC2(O)CC2)C1 ZINC000496207094 226299260 /nfs/dbraw/zinc/29/92/60/226299260.db2.gz PHCNWEPWQYMUOW-SNVBAGLBSA-N 0 3 242.319 0.674 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@@H](COC)OC)C1 ZINC000668330694 487653952 /nfs/dbraw/zinc/65/39/52/487653952.db2.gz XNYOGOLOGXJXIF-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@H](COC)OC)C1 ZINC000668330695 487653716 /nfs/dbraw/zinc/65/37/16/487653716.db2.gz XNYOGOLOGXJXIF-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN CCC[C@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000680832681 487655357 /nfs/dbraw/zinc/65/53/57/487655357.db2.gz ICEJZBBJKFKFCP-JQWIXIFHSA-N 0 3 243.351 0.541 20 0 BCADHN CCc1cc(NC[C@@]2(O)CCN(C)C2)ncn1 ZINC000680830805 487655409 /nfs/dbraw/zinc/65/54/09/487655409.db2.gz OIVQGLFEUBYGIS-LBPRGKRZSA-N 0 3 236.319 0.518 20 0 BCADHN Cc1cc(=O)[nH]c(C(=O)N2CCNC(C)(C)C2)c1 ZINC000408023294 487655708 /nfs/dbraw/zinc/65/57/08/487655708.db2.gz YVPIOAPDRRSXFS-UHFFFAOYSA-N 0 3 249.314 0.920 20 0 BCADHN COC[C@@H]1CCCN1CCN1CCO[C@H](C)C1 ZINC000669690492 487658128 /nfs/dbraw/zinc/65/81/28/487658128.db2.gz RLLKQYGXEPVZAG-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN Cn1cnnc1N1CCN(CC2CC2)CC1 ZINC000653463346 487659490 /nfs/dbraw/zinc/65/94/90/487659490.db2.gz HKNKJJVKDVMXKR-UHFFFAOYSA-N 0 3 221.308 0.347 20 0 BCADHN CN(C[C@H]1CCCN(C)C1)c1ncnn1C ZINC000653463331 487659706 /nfs/dbraw/zinc/65/97/06/487659706.db2.gz GWTYMPGVJCGQRA-JTQLQIEISA-N 0 3 223.324 0.593 20 0 BCADHN Cc1nocc1CNCCCn1cncn1 ZINC000393457569 487661161 /nfs/dbraw/zinc/66/11/61/487661161.db2.gz CVCDQQUQYUJVSM-UHFFFAOYSA-N 0 3 221.264 0.754 20 0 BCADHN COCC(C)(C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000674973838 487662498 /nfs/dbraw/zinc/66/24/98/487662498.db2.gz LLYSAPKCIVDQLD-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN CN1CC[C@]2(CCN(c3ncnn3C)C2)C1 ZINC000653465208 487662572 /nfs/dbraw/zinc/66/25/72/487662572.db2.gz WPNBRVXMTLIVGY-NSHDSACASA-N 0 3 221.308 0.347 20 0 BCADHN CN1CC[C@@]2(CCN(c3ncnn3C)C2)C1 ZINC000653465207 487662992 /nfs/dbraw/zinc/66/29/92/487662992.db2.gz WPNBRVXMTLIVGY-LLVKDONJSA-N 0 3 221.308 0.347 20 0 BCADHN CCC(C)(C)N1CCN(C(=O)CN(C)C)CC1 ZINC000655274193 487663716 /nfs/dbraw/zinc/66/37/16/487663716.db2.gz ZCRHTSHZORNOEH-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CC1(CNC(=O)CN2CCNCC2)CCC1 ZINC000232842982 487663972 /nfs/dbraw/zinc/66/39/72/487663972.db2.gz UPPSSPDMBFNGIR-UHFFFAOYSA-N 0 3 225.336 0.198 20 0 BCADHN CC(C)(C)OCCCN(CCO)CCO ZINC000675037934 487664346 /nfs/dbraw/zinc/66/43/46/487664346.db2.gz RTLXFFCZVJSXMC-UHFFFAOYSA-N 0 3 219.325 0.478 20 0 BCADHN CCN(CCNC[C@@H](C)S(C)(=O)=O)C1CC1 ZINC000564844210 322937955 /nfs/dbraw/zinc/93/79/55/322937955.db2.gz KJSJRQLVGMDEMO-SNVBAGLBSA-N 0 3 248.392 0.493 20 0 BCADHN COC[C@@H](C)N[C@@H]1CCN(C(C)C)C1=O ZINC000165003045 229171900 /nfs/dbraw/zinc/17/19/00/229171900.db2.gz UCNSXFFMMBPURP-NXEZZACHSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H](N[C@H]1COC[C@H]1O)[C@@H]1COc2ccccc21 ZINC000463119095 229175445 /nfs/dbraw/zinc/17/54/45/229175445.db2.gz GVXPWMCSLPZYHM-XYJRDEOASA-N 0 3 249.310 0.900 20 0 BCADHN CN(C)CC(C)(C)NCC(=O)NC1CCCC1 ZINC000308639185 229238000 /nfs/dbraw/zinc/23/80/00/229238000.db2.gz ZOOYIAWPIXUHRU-UHFFFAOYSA-N 0 3 241.379 0.975 20 0 BCADHN CCS(=O)(=O)NC(C)(C)CN(C)C ZINC000308712116 229245101 /nfs/dbraw/zinc/24/51/01/229245101.db2.gz XSQZZCHLJROIOM-UHFFFAOYSA-N 0 3 208.327 0.266 20 0 BCADHN CO[C@H]1C[C@@H](N(C)CCN2CCO[C@@H](C)C2)C1 ZINC000510107744 229292429 /nfs/dbraw/zinc/29/24/29/229292429.db2.gz BYXZTTWHKHNVRJ-RWMBFGLXSA-N 0 3 242.363 0.816 20 0 BCADHN CO[C@H]1C[C@@H](N(C)CCn2cncn2)C1 ZINC000510159190 229294001 /nfs/dbraw/zinc/29/40/01/229294001.db2.gz KBJHHLJPFLFLPN-AOOOYVTPSA-N 0 3 210.281 0.387 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccn(C)n1 ZINC000675148042 487674710 /nfs/dbraw/zinc/67/47/10/487674710.db2.gz ZSNXYXIEKNUUTM-SKDRFNHKSA-N 0 3 248.330 0.633 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H]1CCCS1 ZINC000087668449 487677112 /nfs/dbraw/zinc/67/71/12/487677112.db2.gz VCJVONPSWOVLIR-JGVFFNPUSA-N 0 3 202.323 0.736 20 0 BCADHN COc1ccc(C(=O)NC[C@@H](C)[NH3+])c([O-])c1 ZINC000082574188 487676969 /nfs/dbraw/zinc/67/69/69/487676969.db2.gz TTZKFWWEWZEPBD-SSDOTTSWSA-N 0 3 224.260 0.478 20 0 BCADHN COc1ccc(C(=O)NC[C@H](C)[NH3+])c([O-])c1 ZINC000082574186 487677508 /nfs/dbraw/zinc/67/75/08/487677508.db2.gz TTZKFWWEWZEPBD-ZETCQYMHSA-N 0 3 224.260 0.478 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)NCCCO ZINC000675196128 487679312 /nfs/dbraw/zinc/67/93/12/487679312.db2.gz ZJQRFTXEZWKDTO-LLVKDONJSA-N 0 3 243.351 0.542 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)NCCCO ZINC000675196134 487679344 /nfs/dbraw/zinc/67/93/44/487679344.db2.gz ZJQRFTXEZWKDTO-NSHDSACASA-N 0 3 243.351 0.542 20 0 BCADHN CN[C@@H](C)C(=O)NCc1csc(C)n1 ZINC000054076504 487683288 /nfs/dbraw/zinc/68/32/88/487683288.db2.gz DSCMYLLUZCOYBW-LURJTMIESA-N 0 3 213.306 0.676 20 0 BCADHN CCC[C@H](C)NC(=O)COC1(C)CNC1 ZINC000163074709 487683317 /nfs/dbraw/zinc/68/33/17/487683317.db2.gz KIEXIDCNEXVWAB-VIFPVBQESA-N 0 3 214.309 0.670 20 0 BCADHN COCCN(C)CC(C)(C)N1CCOCC1 ZINC000637893617 487683465 /nfs/dbraw/zinc/68/34/65/487683465.db2.gz UXADGOZXHKDEHA-UHFFFAOYSA-N 0 3 230.352 0.675 20 0 BCADHN CCN1CC[C@@H](N(C)S(=O)(=O)NC)C[C@H]1C ZINC000671676811 487684863 /nfs/dbraw/zinc/68/48/63/487684863.db2.gz JUEWGDFTKHPZGD-NXEZZACHSA-N 0 3 249.380 0.255 20 0 BCADHN CC(C)C(C)(C)C(=O)NCCN(C)CCO ZINC000899737881 584232944 /nfs/dbraw/zinc/23/29/44/584232944.db2.gz RZUUERWGUUVYTF-UHFFFAOYSA-N 0 3 230.352 0.709 20 0 BCADHN CCN(CCNC(=O)c1ccc(N)nc1)C1CC1 ZINC000221878354 487686006 /nfs/dbraw/zinc/68/60/06/487686006.db2.gz FVRHBYVIROITQH-UHFFFAOYSA-N 0 3 248.330 0.878 20 0 BCADHN CSC[C@H](C)C(=O)NCCN(C)CCO ZINC000899734041 584235725 /nfs/dbraw/zinc/23/57/25/584235725.db2.gz RUOHLFRHOJJKSE-VIFPVBQESA-N 0 3 234.365 0.026 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@]1(C)CCCS1 ZINC000087796818 487688675 /nfs/dbraw/zinc/68/86/75/487688675.db2.gz OTENUYFOANCWBG-WCBMZHEXSA-N 0 3 216.350 0.996 20 0 BCADHN C[C@@H](CO)CN1CCO[C@]2(CCCOC2)C1 ZINC000671696331 487695302 /nfs/dbraw/zinc/69/53/02/487695302.db2.gz DJLGCHIVQYGKQC-VXGBXAGGSA-N 0 3 229.320 0.496 20 0 BCADHN CC[C@@](C)(N)c1cn(-c2cnn(C)c2)nn1 ZINC000384160665 487695995 /nfs/dbraw/zinc/69/59/95/487695995.db2.gz JUAKMSKIFOMFFN-SNVBAGLBSA-N 0 3 220.280 0.585 20 0 BCADHN Cc1nc(CNC(=O)C2(N)CCC2)cs1 ZINC000088050794 487696831 /nfs/dbraw/zinc/69/68/31/487696831.db2.gz BFJBJSKWGQBURU-UHFFFAOYSA-N 0 3 225.317 0.949 20 0 BCADHN CN(Cc1ccn(C)c(=O)c1)[C@@H]1CCCOC1 ZINC000671704347 487697647 /nfs/dbraw/zinc/69/76/47/487697647.db2.gz HYIOUYZSDDRQEU-GFCCVEGCSA-N 0 3 236.315 0.996 20 0 BCADHN CN1CCC[C@@H](NC(=O)COC(F)F)C1 ZINC000671702270 487698073 /nfs/dbraw/zinc/69/80/73/487698073.db2.gz UFUUDBICVNTGAP-SSDOTTSWSA-N 0 3 222.235 0.436 20 0 BCADHN CCSCCN1C[C@@H](O)[C@H](OC)C1 ZINC000395279896 262785378 /nfs/dbraw/zinc/78/53/78/262785378.db2.gz GTUHSRUYLFFEPK-RKDXNWHRSA-N 0 3 205.323 0.431 20 0 BCADHN CC1(C)CN(C(=O)CCc2cnccn2)CCN1 ZINC000527013007 262802709 /nfs/dbraw/zinc/80/27/09/262802709.db2.gz WSHBQPSLVGYLNC-UHFFFAOYSA-N 0 3 248.330 0.620 20 0 BCADHN CO[C@H]1CN(CCC2(O)CCC2)C[C@@H]1OC ZINC000396905722 262826035 /nfs/dbraw/zinc/82/60/35/262826035.db2.gz FLUAMQHXLJGCJQ-QWRGUYRKSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@H](NCC(=O)NCC1CC1)[C@H]1CCCO1 ZINC000035247542 262841469 /nfs/dbraw/zinc/84/14/69/262841469.db2.gz KWDWZJAEEGGXLQ-GXSJLCMTSA-N 0 3 226.320 0.670 20 0 BCADHN Cc1cc(NC(=O)CNCC2CC2)n[nH]1 ZINC000082617733 487698779 /nfs/dbraw/zinc/69/87/79/487698779.db2.gz JVDJHGBYYYPZFG-UHFFFAOYSA-N 0 3 208.265 0.656 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NCc1cccnc1N ZINC000653741640 487698879 /nfs/dbraw/zinc/69/88/79/487698879.db2.gz HIPWXKGIQOESBI-NXEZZACHSA-N 0 3 221.304 0.913 20 0 BCADHN CNC(=O)CN[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528751224 262969792 /nfs/dbraw/zinc/96/97/92/262969792.db2.gz BJUJMLYZSURLQR-ODHVRURNSA-N 0 3 200.282 0.134 20 0 BCADHN CC[C@](C)(N)c1cn([C@@H]2CCN(C)C2=O)nn1 ZINC000384228031 487701712 /nfs/dbraw/zinc/70/17/12/487701712.db2.gz VXBLROBPUNQNLD-KCJUWKMLSA-N 0 3 237.307 0.265 20 0 BCADHN C[C@@H](N)C(=O)N1CCN(c2cccs2)CC1 ZINC000178826023 487702425 /nfs/dbraw/zinc/70/24/25/487702425.db2.gz SNWGKJSAZJLVDC-SECBINFHSA-N 0 3 239.344 0.744 20 0 BCADHN CC(C)[C@H](NC(=O)COC1(C)CNC1)C1CC1 ZINC000324416070 490070660 /nfs/dbraw/zinc/07/06/60/490070660.db2.gz RQOYJJCSOOLHKT-LBPRGKRZSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@@H](CO)CN1CCC[C@H](N2CCCC2=O)C1 ZINC000120935738 490071988 /nfs/dbraw/zinc/07/19/88/490071988.db2.gz ARWYGMMVABBCQR-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H](C(=O)N1CCNCC1(C)C)n1cccn1 ZINC000088139112 487705093 /nfs/dbraw/zinc/70/50/93/487705093.db2.gz UVIXCXIAXDJMHM-JTQLQIEISA-N 0 3 236.319 0.655 20 0 BCADHN C[C@H](C(=O)N1CCNCC1(C)C)n1cccn1 ZINC000088139114 487705600 /nfs/dbraw/zinc/70/56/00/487705600.db2.gz UVIXCXIAXDJMHM-SNVBAGLBSA-N 0 3 236.319 0.655 20 0 BCADHN CCN1C[C@H](C)[C@H](NC(=O)Nc2cncnc2)C1 ZINC000681045805 487706084 /nfs/dbraw/zinc/70/60/84/487706084.db2.gz YFRLUUMYVKJPJC-GXSJLCMTSA-N 0 3 249.318 0.938 20 0 BCADHN NC1(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000088130760 487706321 /nfs/dbraw/zinc/70/63/21/487706321.db2.gz CZDYOXWDXFUOBY-UHFFFAOYSA-N 0 3 247.254 0.447 20 0 BCADHN c1cn([C@H]2CCCN(CCc3cn[nH]n3)C2)nn1 ZINC000660861920 487708055 /nfs/dbraw/zinc/70/80/55/487708055.db2.gz LUOIYQBDKLFOOT-NSHDSACASA-N 0 3 247.306 0.276 20 0 BCADHN CN1CCN(C(=O)N[C@H]2CC2(C)C)[C@@H](CN)C1 ZINC000669403667 487709250 /nfs/dbraw/zinc/70/92/50/487709250.db2.gz YUWVEBPWCUKELA-UWVGGRQHSA-N 0 3 240.351 0.069 20 0 BCADHN CC1(C)CN(C[C@H]2CNCCO2)CCCO1 ZINC000309371231 487709476 /nfs/dbraw/zinc/70/94/76/487709476.db2.gz BZLRENQBRASJPN-LLVKDONJSA-N 0 3 228.336 0.476 20 0 BCADHN C[C@@H](COCC1CC1)NC(=O)NCCN(C)C ZINC000651369087 487716775 /nfs/dbraw/zinc/71/67/75/487716775.db2.gz NDKHOAXKSFEFRL-JTQLQIEISA-N 0 3 243.351 0.662 20 0 BCADHN Cc1cccc(CNC(=O)COC2(C)CNC2)c1 ZINC000098060801 487717491 /nfs/dbraw/zinc/71/74/91/487717491.db2.gz KVFLZTRBWSPAHW-UHFFFAOYSA-N 0 3 248.326 0.990 20 0 BCADHN Cc1ccccc1CNC(=O)COC1(C)CNC1 ZINC000098060521 487717933 /nfs/dbraw/zinc/71/79/33/487717933.db2.gz FBUHVPUUIBQMDE-UHFFFAOYSA-N 0 3 248.326 0.990 20 0 BCADHN C[C@@H](N[C@@H]1CCCN(C)C1)c1ccc(=O)[nH]n1 ZINC000671742458 487717935 /nfs/dbraw/zinc/71/79/35/487717935.db2.gz RUQYUIUUYDMYQZ-NXEZZACHSA-N 0 3 236.319 0.927 20 0 BCADHN C[C@H](CN1CCCCC1)NC(=O)[C@H](C)N(C)C ZINC000674245078 487718786 /nfs/dbraw/zinc/71/87/86/487718786.db2.gz BGLCNEOBJGSZQU-NEPJUHHUSA-N 0 3 241.379 0.927 20 0 BCADHN CC[C@H]1COCCN1C(=O)COC1(C)CNC1 ZINC000098061140 487718812 /nfs/dbraw/zinc/71/88/12/487718812.db2.gz ZEOCTJODIQQEHY-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN C[C@@H]1CO[C@@H](C)CN1C(=O)COC1(C)CNC1 ZINC000098061057 487718930 /nfs/dbraw/zinc/71/89/30/487718930.db2.gz BGCMHLISCWGQGS-ZJUUUORDSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@@H](CNC(=O)CCCCO)N(C)C ZINC000086087105 487719633 /nfs/dbraw/zinc/71/96/33/487719633.db2.gz IKIQNGLXFSEOKM-VIFPVBQESA-N 0 3 202.298 0.215 20 0 BCADHN Cc1cccc(NC(=O)COC2(C)CNC2)n1 ZINC000098061527 487720182 /nfs/dbraw/zinc/72/01/82/487720182.db2.gz RKULJSXHEOQICR-UHFFFAOYSA-N 0 3 235.287 0.707 20 0 BCADHN Cc1c(CN[C@@H]2CCCNC(=O)C2)cnn1C ZINC000226378127 487720205 /nfs/dbraw/zinc/72/02/05/487720205.db2.gz VAHFUOXYMFRBEA-LLVKDONJSA-N 0 3 236.319 0.487 20 0 BCADHN C[C@]1(O)CCN(Cc2cnc3n2CCC3)C1 ZINC000667688504 487720267 /nfs/dbraw/zinc/72/02/67/487720267.db2.gz VHSOTYLEPZCQIF-LBPRGKRZSA-N 0 3 221.304 0.786 20 0 BCADHN Cc1cccc(CNC(=O)COC2(C)CNC2)n1 ZINC000098061650 487720416 /nfs/dbraw/zinc/72/04/16/487720416.db2.gz OQZGIHJLIPJJPD-UHFFFAOYSA-N 0 3 249.314 0.385 20 0 BCADHN C[C@@H](CO)CN1CCO[C@]2(CCOC2)C1 ZINC000681098918 487723058 /nfs/dbraw/zinc/72/30/58/487723058.db2.gz XZIMAYHPRMWUAQ-GHMZBOCLSA-N 0 3 215.293 0.106 20 0 BCADHN COCCOCCN1CCCOC[C@H]1C ZINC000676714021 487723919 /nfs/dbraw/zinc/72/39/19/487723919.db2.gz NGPQWOZLCVIERW-LLVKDONJSA-N 0 3 217.309 0.760 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1CS[C@@H](C)C1 ZINC000086934893 487727464 /nfs/dbraw/zinc/72/74/64/487727464.db2.gz LTDJBNCYMQCIKS-CIUDSAMLSA-N 0 3 216.350 0.995 20 0 BCADHN CCN1CCN(CC[C@H](C)O)C[C@@H]1C ZINC000250204332 487728196 /nfs/dbraw/zinc/72/81/96/487728196.db2.gz BTMFCJBEVPRPEA-QWRGUYRKSA-N 0 3 200.326 0.783 20 0 BCADHN CCN(CCS(N)(=O)=O)C1CCCC1 ZINC000735883551 584983451 /nfs/dbraw/zinc/98/34/51/584983451.db2.gz KRAQFXINVZGZQA-UHFFFAOYSA-N 0 3 220.338 0.539 20 0 BCADHN C[C@@H](O)CCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000683978790 487732567 /nfs/dbraw/zinc/73/25/67/487732567.db2.gz DRSOAAWYIYYWSM-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN Cc1nn(C)cc1CN[C@H](CO)CCF ZINC000652018906 487736929 /nfs/dbraw/zinc/73/69/29/487736929.db2.gz FVQOEUBNHLHWOQ-JTQLQIEISA-N 0 3 215.272 0.539 20 0 BCADHN CCC[C@H](O)CC(=O)NCCN(C)CCOC ZINC000676746485 487742513 /nfs/dbraw/zinc/74/25/13/487742513.db2.gz FVEMFUFZRDRBMZ-NSHDSACASA-N 0 3 246.351 0.232 20 0 BCADHN CCO[C@@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000042424817 487744437 /nfs/dbraw/zinc/74/44/37/487744437.db2.gz PHJVGYPLIRFELI-SECBINFHSA-N 0 3 214.309 0.751 20 0 BCADHN C[C@@H]1CC[C@H](C)CN1C(=O)CN1CCNCC1 ZINC000088705638 487745981 /nfs/dbraw/zinc/74/59/81/487745981.db2.gz DOKZKFZMLMPXIC-NWDGAFQWSA-N 0 3 239.363 0.539 20 0 BCADHN CCN(CCCCCCCO)CC(=O)NC ZINC000743842678 585140254 /nfs/dbraw/zinc/14/02/54/585140254.db2.gz KRZQEBLDQGPIIC-UHFFFAOYSA-N 0 3 230.352 0.997 20 0 BCADHN Cc1c[nH]nc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000669606186 487758600 /nfs/dbraw/zinc/75/86/00/487758600.db2.gz QIPMJDHSTDEAJT-UWVGGRQHSA-N 0 3 236.319 0.931 20 0 BCADHN Cc1c[nH]nc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000669606188 487758938 /nfs/dbraw/zinc/75/89/38/487758938.db2.gz QIPMJDHSTDEAJT-ZJUUUORDSA-N 0 3 236.319 0.931 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@@H]1COC)N(C)C ZINC000665751671 487760789 /nfs/dbraw/zinc/76/07/89/487760789.db2.gz RTNSUUAPWDLTLL-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CO[C@@H](C)CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000666221494 487761899 /nfs/dbraw/zinc/76/18/99/487761899.db2.gz CDBQLEPYTKJWIZ-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN Cc1c[nH]nc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000669607147 487762124 /nfs/dbraw/zinc/76/21/24/487762124.db2.gz CLVKAPOIVFBRLC-SECBINFHSA-N 0 3 236.319 0.790 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H]1CSCCS1 ZINC000751070570 585223942 /nfs/dbraw/zinc/22/39/42/585223942.db2.gz KFWYRVADKNXACP-SECBINFHSA-N 0 3 248.417 0.855 20 0 BCADHN Cc1cnc(CCN(C)C(=O)[C@H](C)N)s1 ZINC000158000541 487764399 /nfs/dbraw/zinc/76/43/99/487764399.db2.gz FJEMOOSFJJNBDT-QMMMGPOBSA-N 0 3 227.333 0.800 20 0 BCADHN CC[C@H](O)CCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000675708979 487768508 /nfs/dbraw/zinc/76/85/08/487768508.db2.gz ANAZAWWTZHIYCX-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN O=C1CC[C@@H](CN2CCC[C@H]2Cn2ccnn2)N1 ZINC000649605428 487769112 /nfs/dbraw/zinc/76/91/12/487769112.db2.gz RZLYCBNHCWIELQ-QWRGUYRKSA-N 0 3 249.318 0.021 20 0 BCADHN CC[C@](C)(NCCCc1nc(C)no1)C(N)=O ZINC000357631650 487771709 /nfs/dbraw/zinc/77/17/09/487771709.db2.gz ISKQDEVPAZCVHN-NSHDSACASA-N 0 3 240.307 0.554 20 0 BCADHN CO[C@H](C)CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000666261443 487775094 /nfs/dbraw/zinc/77/50/94/487775094.db2.gz CDBQLEPYTKJWIZ-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000178570998 487775415 /nfs/dbraw/zinc/77/54/15/487775415.db2.gz OVIIFSSMJVOJEF-APLZJWDSSA-N 0 3 226.320 0.796 20 0 BCADHN C[C@@H]1CN(C[C@H]2CNCCO2)[C@@H](C)CO1 ZINC000251605758 487775914 /nfs/dbraw/zinc/77/59/14/487775914.db2.gz GNNGCVRRCAIGQZ-HBNTYKKESA-N 0 3 214.309 0.084 20 0 BCADHN CO[C@H](C)CNC(=O)N1CCCN(C)CC1 ZINC000666264452 487776764 /nfs/dbraw/zinc/77/67/64/487776764.db2.gz MLVWXLOKUKBBNQ-SNVBAGLBSA-N 0 3 229.324 0.368 20 0 BCADHN CCCN1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000047509158 487785243 /nfs/dbraw/zinc/78/52/43/487785243.db2.gz OGRHEXLGUPCXPI-UHFFFAOYSA-N 0 3 246.318 0.885 20 0 BCADHN CCCN1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000047509158 487785248 /nfs/dbraw/zinc/78/52/48/487785248.db2.gz OGRHEXLGUPCXPI-UHFFFAOYSA-N 0 3 246.318 0.885 20 0 BCADHN C[C@H](CN1CCCCC1)NC(=O)[C@H](O)C1CC1 ZINC000666316556 487785259 /nfs/dbraw/zinc/78/52/59/487785259.db2.gz DQKMBCULFFMKRE-ZYHUDNBSSA-N 0 3 240.347 0.748 20 0 BCADHN CCN(CCO)CCNC(=S)NC(C)C ZINC000768789363 585543659 /nfs/dbraw/zinc/54/36/59/585543659.db2.gz SBVXNWPYTIWSRU-UHFFFAOYSA-N 0 3 233.381 0.173 20 0 BCADHN CC(=O)OC(C)(C)C(=O)N[C@@H](C)CN(C)C ZINC000805423689 585591931 /nfs/dbraw/zinc/59/19/31/585591931.db2.gz GRCFWDOPTBDRPH-QMMMGPOBSA-N 0 3 230.308 0.394 20 0 BCADHN CO[C@H](C)CC(=O)N[C@@H](C)CN(C)C ZINC000805427708 585592414 /nfs/dbraw/zinc/59/24/14/585592414.db2.gz KUWQQBNXFYXGJM-DTWKUNHWSA-N 0 3 202.298 0.478 20 0 BCADHN CN[C@@H](C)C(=O)N1CCO[C@H](C)[C@@H]1C ZINC000307361759 487793596 /nfs/dbraw/zinc/79/35/96/487793596.db2.gz HVCJWYPQNXFNQK-XHNCKOQMSA-N 0 3 200.282 0.230 20 0 BCADHN CN[C@@H](C)C(=O)N1CCO[C@@H](C)[C@H]1C ZINC000307361760 487793683 /nfs/dbraw/zinc/79/36/83/487793683.db2.gz HVCJWYPQNXFNQK-YIZRAAEISA-N 0 3 200.282 0.230 20 0 BCADHN O=C1NCCC[C@@H]1N1CCC[C@H](n2ccnc2)C1 ZINC000675958848 487797209 /nfs/dbraw/zinc/79/72/09/487797209.db2.gz CMPNUPKDGDBPDA-RYUDHWBXSA-N 0 3 248.330 0.799 20 0 BCADHN CC[C@@H]1CN(CC2OCCO2)C[C@H]1O ZINC000777712993 585718811 /nfs/dbraw/zinc/71/88/11/585718811.db2.gz NBTSAGFKVQKGBU-RKDXNWHRSA-N 0 3 201.266 0.062 20 0 BCADHN CCN1CCCN(C(=O)[C@H](O)C2CC2)CC1 ZINC000668475843 487801914 /nfs/dbraw/zinc/80/19/14/487801914.db2.gz SBZWKNOQMWCKFC-LLVKDONJSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@H]1CCCN(CCNC(=O)[C@@H](O)C2CC2)C1 ZINC000666428509 487806011 /nfs/dbraw/zinc/80/60/11/487806011.db2.gz RMRWWXRQHGZCIU-JQWIXIFHSA-N 0 3 240.347 0.605 20 0 BCADHN COc1ccccc1[C@H](CO)NCCCO ZINC000309896765 487806769 /nfs/dbraw/zinc/80/67/69/487806769.db2.gz GBUDJRVEPGZPQA-NSHDSACASA-N 0 3 225.288 0.701 20 0 BCADHN CC[C@@H]1CO[C@H](C)CN1C[C@H]1CNCCO1 ZINC000251922060 487807736 /nfs/dbraw/zinc/80/77/36/487807736.db2.gz YNTOVGVBAIDEBJ-IJLUTSLNSA-N 0 3 228.336 0.474 20 0 BCADHN C[C@H](C(=O)NC[C@@H]1CNCCO1)c1ccccc1 ZINC000235424300 487810671 /nfs/dbraw/zinc/81/06/71/487810671.db2.gz BFVADHVJBZUWLT-AAEUAGOBSA-N 0 3 248.326 0.895 20 0 BCADHN CCN(CC(=O)N(C)C)C[C@@H]1CCCOC1 ZINC000676081862 487811622 /nfs/dbraw/zinc/81/16/22/487811622.db2.gz GUVQZQMJANNYDO-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC(C)(C)CO ZINC000408137048 487812968 /nfs/dbraw/zinc/81/29/68/487812968.db2.gz CBSYDXRZLXYTPW-NXEZZACHSA-N 0 3 228.336 0.746 20 0 BCADHN Cc1nc(C(=O)NC[C@H]2CCN(C)C2)co1 ZINC000681551777 487814068 /nfs/dbraw/zinc/81/40/68/487814068.db2.gz HIJBJFGEMNOZGK-SECBINFHSA-N 0 3 223.276 0.665 20 0 BCADHN CN(C)CCNC(=O)NCCc1ccoc1 ZINC000666479809 487817635 /nfs/dbraw/zinc/81/76/35/487817635.db2.gz JEBVKMMXKLHICW-UHFFFAOYSA-N 0 3 225.292 0.683 20 0 BCADHN Cc1cc(CN[C@@H](C)[C@H](C)O)nc(C)n1 ZINC000564868252 322944682 /nfs/dbraw/zinc/94/46/82/322944682.db2.gz DJFMSZDFJUBKEE-IUCAKERBSA-N 0 3 209.293 0.952 20 0 BCADHN CCn1cnc2c1ncnc2N1CCNCC1 ZINC000108231719 487826704 /nfs/dbraw/zinc/82/67/04/487826704.db2.gz ZCMJVFXKISZHPZ-UHFFFAOYSA-N 0 3 232.291 0.256 20 0 BCADHN CCNC(=O)C(C)(C)NCCSC ZINC000313051334 322945093 /nfs/dbraw/zinc/94/50/93/322945093.db2.gz XZPKKUTVLWKYHI-UHFFFAOYSA-N 0 3 204.339 0.854 20 0 BCADHN CCCn1nccc1CN[C@H](C)CC(=O)NC ZINC000323030332 487831641 /nfs/dbraw/zinc/83/16/41/487831641.db2.gz LZODWWUQRZGHLG-SNVBAGLBSA-N 0 3 238.335 0.907 20 0 BCADHN C[C@H]1C[C@@H](NCCNC(=O)[O-])CC[N@@H+]1C ZINC000825853100 587340558 /nfs/dbraw/zinc/34/05/58/587340558.db2.gz TXNATWAJKUQVPE-IUCAKERBSA-N 0 3 215.297 0.326 20 0 BCADHN C[C@H]1C[C@@H](NCCNC(=O)[O-])CC[N@H+]1C ZINC000825853100 587340560 /nfs/dbraw/zinc/34/05/60/587340560.db2.gz TXNATWAJKUQVPE-IUCAKERBSA-N 0 3 215.297 0.326 20 0 BCADHN CC(C)O[C@@H]1CCN(CC[S@](C)=O)C1 ZINC000828832482 587465826 /nfs/dbraw/zinc/46/58/26/587465826.db2.gz TVTFGJWETUAREE-YGRLFVJLSA-N 0 3 219.350 0.864 20 0 BCADHN CCCC(=O)NC[C@H](CN(C)C)OCC ZINC000831776803 587631419 /nfs/dbraw/zinc/63/14/19/587631419.db2.gz MOCMFOVSXKRDAD-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN C[C@@H](CNCCOC(F)(F)F)S(C)(=O)=O ZINC000565887668 322947296 /nfs/dbraw/zinc/94/72/96/322947296.db2.gz AFCNDNKWILUPQE-LURJTMIESA-N 0 3 249.254 0.546 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CSC[C@@H]1C ZINC000843429981 588108753 /nfs/dbraw/zinc/10/87/53/588108753.db2.gz FKBVJVZXLLOUKU-DTWKUNHWSA-N 0 3 232.349 0.737 20 0 BCADHN CCO/C=C\C(=O)NCC1=CCN(C)CC1 ZINC000493161569 528522043 /nfs/dbraw/zinc/52/20/43/528522043.db2.gz SWWANULKXVLWPN-TWGQIWQCSA-N 0 3 224.304 0.915 20 0 BCADHN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)C(=O)NCCF ZINC000668106025 487839234 /nfs/dbraw/zinc/83/92/34/487839234.db2.gz PDWATFKBYSMXFU-JMJZKYOTSA-N 0 3 244.310 0.618 20 0 BCADHN C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)C(=O)NCCF ZINC000668106026 487838803 /nfs/dbraw/zinc/83/88/03/487838803.db2.gz PDWATFKBYSMXFU-LSJOCFKGSA-N 0 3 244.310 0.618 20 0 BCADHN C[C@H](O)CCNCc1cnc(Cl)n1C ZINC000848537068 588394196 /nfs/dbraw/zinc/39/41/96/588394196.db2.gz YQFHWOUSKKCKKR-ZETCQYMHSA-N 0 3 217.700 0.934 20 0 BCADHN COC[C@@H](O)CNCc1cnc(Cl)n1C ZINC000848551354 588396279 /nfs/dbraw/zinc/39/62/79/588396279.db2.gz KIAGKJOUMXIJBV-QMMMGPOBSA-N 0 3 233.699 0.170 20 0 BCADHN CC1(C)OC[C@@H](CN2CC[C@H](O)C2)O1 ZINC000851751709 588623906 /nfs/dbraw/zinc/62/39/06/588623906.db2.gz SBDQGILQKXAORI-DTWKUNHWSA-N 0 3 201.266 0.205 20 0 BCADHN CN(CCOC(C)(C)C)C[C@@H]1CNCCO1 ZINC000164504292 487841563 /nfs/dbraw/zinc/84/15/63/487841563.db2.gz KJKNDPVXDUGIFX-NSHDSACASA-N 0 3 230.352 0.722 20 0 BCADHN CC1(C)CN(C[C@@H]2CCC(=O)O2)C[C@@H]1O ZINC000851998358 588653797 /nfs/dbraw/zinc/65/37/97/588653797.db2.gz SVFYDXWGTGQXMB-IUCAKERBSA-N 0 3 213.277 0.395 20 0 BCADHN COCCN(CCF)C[C@@H]1CCOC1 ZINC000852480817 588684215 /nfs/dbraw/zinc/68/42/15/588684215.db2.gz CWEAUVOTYBIZGS-JTQLQIEISA-N 0 3 205.273 0.941 20 0 BCADHN C[C@@H]1COCCCN1CCN1CCNC1=O ZINC000676365725 487842867 /nfs/dbraw/zinc/84/28/67/487842867.db2.gz BTYYWXZSPVDUBB-SNVBAGLBSA-N 0 3 227.308 0.122 20 0 BCADHN CC(C)(F)CCNC(=O)[C@@]1(F)CCNC1 ZINC000852854754 588708414 /nfs/dbraw/zinc/70/84/14/588708414.db2.gz ONQNRXOWIRVRNR-SNVBAGLBSA-N 0 3 220.263 0.942 20 0 BCADHN CNC(=S)NC[C@H]1CCCN(C)C1 ZINC000122981818 589647357 /nfs/dbraw/zinc/64/73/57/589647357.db2.gz YOKCZAVBIBRZED-MRVPVSSYSA-N 0 3 201.339 0.422 20 0 BCADHN CC(C(=O)N1CC[C@H](CF)C1)S(C)(=O)=O ZINC000881665510 591260952 /nfs/dbraw/zinc/26/09/52/591260952.db2.gz HVGGTJNVJJTRCB-JGVFFNPUSA-N 0 3 237.296 0.238 20 0 BCADHN CC(C)C1CN(C[C@H](O)Cn2cccn2)C1 ZINC000666145272 487850598 /nfs/dbraw/zinc/85/05/98/487850598.db2.gz OIZHWKSZNCFNAR-LBPRGKRZSA-N 0 3 223.320 0.832 20 0 BCADHN CCN(CCNC(=O)C1(N(C)C)CC1)C1CC1 ZINC000668151532 487852636 /nfs/dbraw/zinc/85/26/36/487852636.db2.gz GTBHOBXEKXPULY-UHFFFAOYSA-N 0 3 239.363 0.681 20 0 BCADHN CCOCCN1CCC[C@H](N2CCNC2=O)C1 ZINC000373096549 487859222 /nfs/dbraw/zinc/85/92/22/487859222.db2.gz BSRVGCBFQCDSRQ-NSHDSACASA-N 0 3 241.335 0.513 20 0 BCADHN CCCC[C@H](C)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000668506041 487861307 /nfs/dbraw/zinc/86/13/07/487861307.db2.gz FVGGYQPCQSTSST-HBNTYKKESA-N 0 3 249.376 0.967 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1N[C@H](C)CC1CC1 ZINC000668507018 487862669 /nfs/dbraw/zinc/86/26/69/487862669.db2.gz MQYFBMFTCIZSJO-FBIMIBRVSA-N 0 3 247.360 0.577 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC1CC(C)C1 ZINC000668506967 487863287 /nfs/dbraw/zinc/86/32/87/487863287.db2.gz LZOSJYKLJAHJHM-HORUIINNSA-N 0 3 233.333 0.187 20 0 BCADHN COC[C@@H](C)[C@@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000462463233 487863645 /nfs/dbraw/zinc/86/36/45/487863645.db2.gz GNLIBFBCCKRYQY-OUAUKWLOSA-N 0 3 230.352 0.971 20 0 BCADHN CCNS(=O)(=O)N(C)CCN1CCCCC1 ZINC000651926948 487865636 /nfs/dbraw/zinc/86/56/36/487865636.db2.gz SBHPFJMZILEFKN-UHFFFAOYSA-N 0 3 249.380 0.258 20 0 BCADHN CCN1CC[C@H](N[C@H](C)[C@H]2CCCO2)C1=O ZINC000309933323 487867605 /nfs/dbraw/zinc/86/76/05/487867605.db2.gz YWEIKMLMBOTONM-OUAUKWLOSA-N 0 3 226.320 0.764 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@H]1NCCCC1(C)C ZINC000234725888 487868199 /nfs/dbraw/zinc/86/81/99/487868199.db2.gz VQBAKNUQUWYKPN-VHSXEESVSA-N 0 3 228.336 0.916 20 0 BCADHN COCc1n[nH]c(CN[C@H]2CSC[C@H]2C)n1 ZINC000668510769 487869627 /nfs/dbraw/zinc/86/96/27/487869627.db2.gz ZRSNWFHXJKDLOH-SFYZADRCSA-N 0 3 242.348 0.792 20 0 BCADHN CC[C@@H](CN1CCCC1)NS(C)(=O)=O ZINC000674346766 487869719 /nfs/dbraw/zinc/86/97/19/487869719.db2.gz SWZGYXRBXMNAIL-VIFPVBQESA-N 0 3 220.338 0.410 20 0 BCADHN CCO[C@H]1C[C@@H]1NC(=O)NC1CCN(C)CC1 ZINC000559259940 322961141 /nfs/dbraw/zinc/96/11/41/322961141.db2.gz DAQAJQRJXNTIQF-QWRGUYRKSA-N 0 3 241.335 0.557 20 0 BCADHN CCN(CC)CC(=O)N1CCCOC[C@@H]1C ZINC000676537708 487870492 /nfs/dbraw/zinc/87/04/92/487870492.db2.gz YVVPWIVMBATGLM-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCn1ncnc1CN1CCCc2[nH]ncc2C1 ZINC000663188554 487874790 /nfs/dbraw/zinc/87/47/90/487874790.db2.gz IUNLUKLMPRNXHV-UHFFFAOYSA-N 0 3 246.318 0.970 20 0 BCADHN C[C@H](c1ccncc1)N1CC[C@H](CO)[C@H](O)C1 ZINC000676582499 487876121 /nfs/dbraw/zinc/87/61/21/487876121.db2.gz OYTFSAYNMMSGLJ-RAIGVLPGSA-N 0 3 236.315 0.818 20 0 BCADHN C[C@H](c1ccncc1)N1CC[C@H](CO)[C@@H](O)C1 ZINC000676582501 487876715 /nfs/dbraw/zinc/87/67/15/487876715.db2.gz OYTFSAYNMMSGLJ-RTXFEEFZSA-N 0 3 236.315 0.818 20 0 BCADHN Cc1c[nH]c(NC(=O)[C@H](N)CC(F)F)n1 ZINC000564934227 322963856 /nfs/dbraw/zinc/96/38/56/322963856.db2.gz DZGXBRQHVUXJDC-RXMQYKEDSA-N 0 3 218.207 0.639 20 0 BCADHN COCC[C@@H](C)N1CCN(CCO)C(C)(C)C1 ZINC000682034684 487886058 /nfs/dbraw/zinc/88/60/58/487886058.db2.gz KVJSZZXENQYWGM-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN COC1(OC)CC[C@H]1N[C@H]1C[C@@](C)(O)C1 ZINC000926599309 645306273 /nfs/dbraw/zinc/30/62/73/645306273.db2.gz DWRDDKSMOYUTLJ-BBBLOLIVSA-N 0 3 215.293 0.641 20 0 BCADHN CC[C@H](O)CN1CCN(CCO)C(C)(C)C1 ZINC000682039739 487887815 /nfs/dbraw/zinc/88/78/15/487887815.db2.gz YWQBYGQCFZSNLO-NSHDSACASA-N 0 3 230.352 0.146 20 0 BCADHN Cn1ncc2c1CCC[C@H]2N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652257340 487894197 /nfs/dbraw/zinc/89/41/97/487894197.db2.gz RDMNGNKGQSHQIY-WCABBAIRSA-N 0 3 248.330 0.651 20 0 BCADHN CC[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1nccn1C ZINC000652258417 487895025 /nfs/dbraw/zinc/89/50/25/487895025.db2.gz RBWHREMQTSMHNC-AEJSXWLSSA-N 0 3 236.319 0.725 20 0 BCADHN Cn1ccnc1[C@H](N[C@H]1C[C@@H](C(N)=O)C1)C1CC1 ZINC000652258085 487895224 /nfs/dbraw/zinc/89/52/24/487895224.db2.gz JQZREDIIVQNIID-OUAUKWLOSA-N 0 3 248.330 0.725 20 0 BCADHN CN1CC(=O)N(CCN2CCCCC2)C1=O ZINC000676702928 487896312 /nfs/dbraw/zinc/89/63/12/487896312.db2.gz ACEHGCXDPLIJKU-UHFFFAOYSA-N 0 3 225.292 0.366 20 0 BCADHN O=C1CC[C@@H](CN[C@H](CO)c2ccccc2)N1 ZINC000226730284 487898142 /nfs/dbraw/zinc/89/81/42/487898142.db2.gz WQNKDJHOYNAKSA-NWDGAFQWSA-N 0 3 234.299 0.588 20 0 BCADHN CCCn1nccc1CNCCC(=O)NC ZINC000164839723 487902563 /nfs/dbraw/zinc/90/25/63/487902563.db2.gz IYXBJDPSFGECSL-UHFFFAOYSA-N 0 3 224.308 0.519 20 0 BCADHN CN(Cc1cnn2c1CCC2)CC1CN(C)C1 ZINC000668539230 487904144 /nfs/dbraw/zinc/90/41/44/487904144.db2.gz PDXMAGNVLHJOKD-UHFFFAOYSA-N 0 3 234.347 0.823 20 0 BCADHN CCCNC(=O)[C@H](C)N1CCC[C@@H]([C@H](C)O)C1 ZINC000676721248 487904968 /nfs/dbraw/zinc/90/49/68/487904968.db2.gz OXSUUSQBNWWWNH-SDDRHHMPSA-N 0 3 242.363 0.994 20 0 BCADHN COc1ccc(CCNC(=O)CN)cc1O ZINC000083353211 487906316 /nfs/dbraw/zinc/90/63/16/487906316.db2.gz UDLHNSAVNQLULQ-UHFFFAOYSA-N 0 3 224.260 0.018 20 0 BCADHN CO[C@H](C)[C@H](C)NCC(=O)NC1CC1 ZINC000229375052 487906781 /nfs/dbraw/zinc/90/67/81/487906781.db2.gz RJNITSRAUNIOOH-JGVFFNPUSA-N 0 3 200.282 0.278 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N(CC)CCO)C1 ZINC000666926623 487907506 /nfs/dbraw/zinc/90/75/06/487907506.db2.gz UWLNRZCNKHYJEO-LLVKDONJSA-N 0 3 243.351 0.495 20 0 BCADHN Nc1ncccc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634779204 487907622 /nfs/dbraw/zinc/90/76/22/487907622.db2.gz HHRPLVHBYLACBV-PHIMTYICSA-N 0 3 219.288 0.742 20 0 BCADHN COc1cc(CNC[C@H](O)CO)ccc1Cl ZINC000083374600 487909755 /nfs/dbraw/zinc/90/97/55/487909755.db2.gz NJWMKRVXBXLEOT-VIFPVBQESA-N 0 3 245.706 0.791 20 0 BCADHN CN(CC1(C)COC1)[C@H]1CCCNC1=O ZINC000682093760 487910046 /nfs/dbraw/zinc/91/00/46/487910046.db2.gz QKSJTRPLDLDTRX-VIFPVBQESA-N 0 3 212.293 0.233 20 0 BCADHN CCC[C@@H](C)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000668541215 487911709 /nfs/dbraw/zinc/91/17/09/487911709.db2.gz JCUGXDTVGDOYOT-MNOVXSKESA-N 0 3 242.367 0.459 20 0 BCADHN CCC[C@H](O)CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000676741661 487912150 /nfs/dbraw/zinc/91/21/50/487912150.db2.gz HEHSTTVQSDORPR-JQWIXIFHSA-N 0 3 240.347 0.890 20 0 BCADHN CC(C)NCC(=O)N[C@@]1(C)CCOC1 ZINC000229461594 487915974 /nfs/dbraw/zinc/91/59/74/487915974.db2.gz XBZBNXFQTMSDLA-JTQLQIEISA-N 0 3 200.282 0.280 20 0 BCADHN CCC[C@@H](O)CC(=O)NC[C@H]1CCCN(C)C1 ZINC000676750601 487917484 /nfs/dbraw/zinc/91/74/84/487917484.db2.gz PCKQCXNZUVYDNQ-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673512103 487920571 /nfs/dbraw/zinc/92/05/71/487920571.db2.gz XTYRBOHLZATFDU-SDDRHHMPSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CCN(C(=O)COC2(C)CNC2)[C@H]1C ZINC000380646414 487927454 /nfs/dbraw/zinc/92/74/54/487927454.db2.gz WDDMQVPNTSVJCR-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@@H]1CN(C[C@H](C)CO)C[C@@H](C)O1 ZINC000682221744 487929253 /nfs/dbraw/zinc/92/92/53/487929253.db2.gz KYUHCOCMESGIST-AXFHLTTASA-N 0 3 217.309 0.351 20 0 BCADHN CN(C)CCN(CC(=O)N(C)C)CC1(C)CC1 ZINC000668557789 487930195 /nfs/dbraw/zinc/93/01/95/487930195.db2.gz QQRAANCFNMIROC-UHFFFAOYSA-N 0 3 241.379 0.738 20 0 BCADHN Cn1ccc(CN2CCc3cn[nH]c3C2)cc1=O ZINC000676794524 487931147 /nfs/dbraw/zinc/93/11/47/487931147.db2.gz DGSZHSOSDRFZLO-UHFFFAOYSA-N 0 3 244.298 0.667 20 0 BCADHN c1[nH]nc2c1CCN(C[C@H]1CCOC1)C2 ZINC000676794713 487931633 /nfs/dbraw/zinc/93/16/33/487931633.db2.gz ZHOHWHWTPSYIQW-SECBINFHSA-N 0 3 207.277 0.804 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000146949812 487933134 /nfs/dbraw/zinc/93/31/34/487933134.db2.gz ISBGTXMBQDOPDR-AVGNSLFASA-N 0 3 248.326 0.744 20 0 BCADHN c1n[nH]c2c1CCN(CCN1CCOCC1)C2 ZINC000676796126 487933256 /nfs/dbraw/zinc/93/32/56/487933256.db2.gz YPMXOQITDNUOIB-UHFFFAOYSA-N 0 3 236.319 0.100 20 0 BCADHN COC1CC(N[C@@H]2CC[C@H](C)S(=O)(=O)C2)C1 ZINC000668560956 487935156 /nfs/dbraw/zinc/93/51/56/487935156.db2.gz ISRGVBSCXFBXJY-IZUQBHJASA-N 0 3 247.360 0.719 20 0 BCADHN CCCN(C)CC(=O)N1CCc2c[nH]nc2C1 ZINC000676830137 487935434 /nfs/dbraw/zinc/93/54/34/487935434.db2.gz ZLJRWYCOESOYIN-UHFFFAOYSA-N 0 3 236.319 0.636 20 0 BCADHN COC1CC(N[C@H]2CC[C@H](C)S(=O)(=O)C2)C1 ZINC000668560961 487936185 /nfs/dbraw/zinc/93/61/85/487936185.db2.gz ISRGVBSCXFBXJY-SAAXCQNUSA-N 0 3 247.360 0.719 20 0 BCADHN Cc1cccn2c(CNC[C@](C)(O)CO)cnc12 ZINC000684536900 487937202 /nfs/dbraw/zinc/93/72/02/487937202.db2.gz ZNEJVTCVAYTNAB-ZDUSSCGKSA-N 0 3 249.314 0.476 20 0 BCADHN NC(=O)N[C@H]1CCN(CC[C@H]2CCCCO2)C1 ZINC000408196044 487938536 /nfs/dbraw/zinc/93/85/36/487938536.db2.gz ACOHINCXXVNRDI-WDEREUQCSA-N 0 3 241.335 0.688 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NCCCCO)C1 ZINC000235279870 487939518 /nfs/dbraw/zinc/93/95/18/487939518.db2.gz BBWLHKRVVXTTKS-ZJUUUORDSA-N 0 3 214.309 0.263 20 0 BCADHN CCN(C[C@H]1CCOC1)C(=O)C1(N)CC1 ZINC000083835034 487941250 /nfs/dbraw/zinc/94/12/50/487941250.db2.gz DMUZMKGESRWVLS-SECBINFHSA-N 0 3 212.293 0.363 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)COC2(C)CNC2)CCO1 ZINC000235356970 487944301 /nfs/dbraw/zinc/94/43/01/487944301.db2.gz JUQUSFVIUJNICT-ZJUUUORDSA-N 0 3 242.319 0.049 20 0 BCADHN Cc1ccc(CN(C[C@H](C)O)[C@H](C)CO)nc1 ZINC000682373619 487943700 /nfs/dbraw/zinc/94/37/00/487943700.db2.gz TVHZHMLXWXKOMS-NEPJUHHUSA-N 0 3 238.331 0.954 20 0 BCADHN C[C@@]12COC[C@@H]1CN(CCn1cncn1)C2 ZINC000661704414 487948729 /nfs/dbraw/zinc/94/87/29/487948729.db2.gz LRQREEFIXNRXDC-WDEREUQCSA-N 0 3 222.292 0.246 20 0 BCADHN C[C@@H](CO)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000684626780 487949328 /nfs/dbraw/zinc/94/93/28/487949328.db2.gz AHCWHYPTLDVDLP-DGCLKSJQSA-N 0 3 243.347 0.885 20 0 BCADHN CN1CCCC[C@@H]1C(=O)NCCN1CCC1 ZINC000676949298 487949425 /nfs/dbraw/zinc/94/94/25/487949425.db2.gz YBERGLSMUPMYAZ-LLVKDONJSA-N 0 3 225.336 0.293 20 0 BCADHN CC(C)CCN(C)C(=O)C(C)S(C)(=O)=O ZINC000049673279 487949869 /nfs/dbraw/zinc/94/98/69/487949869.db2.gz DPEKMAQUXUDSIN-VIFPVBQESA-N 0 3 235.349 0.924 20 0 BCADHN CCCN(C[C@@H](C)CO)[C@@H]1CC(=O)N(C)C1=O ZINC000669942598 487949932 /nfs/dbraw/zinc/94/99/32/487949932.db2.gz QPBJBGRLTNKBTN-NXEZZACHSA-N 0 3 242.319 0.084 20 0 BCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CCCCN1 ZINC000158261089 487951030 /nfs/dbraw/zinc/95/10/30/487951030.db2.gz SMJYTJGCVIWEKL-DBIOUOCHSA-N 0 3 224.304 0.565 20 0 BCADHN CCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673517759 487952174 /nfs/dbraw/zinc/95/21/74/487952174.db2.gz OIHXTJNPTVFXJC-VHSXEESVSA-N 0 3 212.293 0.064 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N(C)CC[C@@H](C)O ZINC000158333651 487952419 /nfs/dbraw/zinc/95/24/19/487952419.db2.gz LPQWLONITIQSJJ-NXEZZACHSA-N 0 3 216.325 0.589 20 0 BCADHN Cc1nc(C(=O)NC[C@@H](C)N(C)C)co1 ZINC000669945072 487953240 /nfs/dbraw/zinc/95/32/40/487953240.db2.gz KUBWFKWZHQBYEH-SSDOTTSWSA-N 0 3 211.265 0.663 20 0 BCADHN CCC[C@H](C)NC(=O)NC[C@@](C)(O)CN(C)C ZINC000677004653 487954505 /nfs/dbraw/zinc/95/45/05/487954505.db2.gz TWTWWZZRLAEYQG-CMPLNLGQSA-N 0 3 245.367 0.787 20 0 BCADHN Cc1nc(C(=O)NCCNc2ccncc2)co1 ZINC000669946195 487954812 /nfs/dbraw/zinc/95/48/12/487954812.db2.gz XAIWGYAXWHYQCP-UHFFFAOYSA-N 0 3 246.270 0.642 20 0 BCADHN COc1ccc(C(=O)NCC[C@H](C)[NH3+])c([O-])c1 ZINC000063170458 322810085 /nfs/dbraw/zinc/81/00/85/322810085.db2.gz NVGWNTCLBZGRMV-QMMMGPOBSA-N 0 3 238.287 0.868 20 0 BCADHN Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCN(C)C ZINC000569377209 322965046 /nfs/dbraw/zinc/96/50/46/322965046.db2.gz RIDOCZQUQKGZHB-UHFFFAOYSA-N 0 3 226.280 0.057 20 0 BCADHN CCn1nccc1NC(=O)[C@H]1C[C@H](OC)CN1 ZINC000569607155 322972593 /nfs/dbraw/zinc/97/25/93/322972593.db2.gz VZRNFPXLMRYDNS-DTWKUNHWSA-N 0 3 238.291 0.218 20 0 BCADHN Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)co1 ZINC000560634010 322991026 /nfs/dbraw/zinc/99/10/26/322991026.db2.gz DTBGGPFUWHOYHE-QWRGUYRKSA-N 0 3 238.287 0.335 20 0 BCADHN CN(C)[C@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@@H]1O ZINC000560635865 322991115 /nfs/dbraw/zinc/99/11/15/322991115.db2.gz QINZXVSCXIXGNX-KZZRWZIVSA-N 0 3 238.331 0.166 20 0 BCADHN CN[C@@H](C)C(=O)N1CCNCc2ccccc21 ZINC000566475303 323000429 /nfs/dbraw/zinc/00/04/29/323000429.db2.gz YJXVZSPZXVBJAK-JTQLQIEISA-N 0 3 233.315 0.731 20 0 BCADHN CC(=O)N1CC(N[C@H]2CCC23CCOCC3)C1 ZINC000566475802 323000577 /nfs/dbraw/zinc/00/05/77/323000577.db2.gz PNWCMHRWKQJIIY-LBPRGKRZSA-N 0 3 238.331 0.766 20 0 BCADHN OC[C@H](O)CNCc1ccc2[nH]cnc2c1 ZINC000258922318 323006302 /nfs/dbraw/zinc/00/63/02/323006302.db2.gz IVVYULSWPOIASA-SECBINFHSA-N 0 3 221.260 0.006 20 0 BCADHN OC[C@H](O)CNCc1ccc2nc[nH]c2c1 ZINC000258922318 323006303 /nfs/dbraw/zinc/00/63/03/323006303.db2.gz IVVYULSWPOIASA-SECBINFHSA-N 0 3 221.260 0.006 20 0 BCADHN C[C@H](F)CCN1CC[C@H](CO)[C@H](O)C1 ZINC000561786732 323006958 /nfs/dbraw/zinc/00/69/58/323006958.db2.gz VQRBFTLEJGMDOD-IVZWLZJFSA-N 0 3 205.273 0.410 20 0 BCADHN C[C@H](F)CCN1CC[C@H](CO)[C@@H](O)C1 ZINC000561786726 323007065 /nfs/dbraw/zinc/00/70/65/323007065.db2.gz VQRBFTLEJGMDOD-AEJSXWLSSA-N 0 3 205.273 0.410 20 0 BCADHN COC[C@H](C)CN1CCOC[C@H]1C[C@H](C)O ZINC000561981720 323009765 /nfs/dbraw/zinc/00/97/65/323009765.db2.gz DTPURPZDDLBRDD-GRYCIOLGSA-N 0 3 231.336 0.741 20 0 BCADHN Cc1[nH]ncc1CN1CCO[C@@H](C(=O)C2CC2)C1 ZINC000562206950 323013420 /nfs/dbraw/zinc/01/34/20/323013420.db2.gz QTSUCOQMZKCAPL-GFCCVEGCSA-N 0 3 249.314 0.898 20 0 BCADHN CN1CCC[C@H]1CNC(=O)CCc1ncccn1 ZINC000562273579 323014694 /nfs/dbraw/zinc/01/46/94/323014694.db2.gz APTGNHNPKHIIGJ-NSHDSACASA-N 0 3 248.330 0.620 20 0 BCADHN CCO[C@H]1C[C@H]1NC(=O)CN(C)C(C)C ZINC000562470975 323021090 /nfs/dbraw/zinc/02/10/90/323021090.db2.gz FRPBFPGHWNKOKH-ZJUUUORDSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCC[C@H]1CCCCO1 ZINC000134733003 323025597 /nfs/dbraw/zinc/02/55/97/323025597.db2.gz ZCAZFIGOZZBJMB-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@@H](O)CC ZINC000562726125 323029211 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CCC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000154589737 323057658 /nfs/dbraw/zinc/05/76/58/323057658.db2.gz QJAJPCQBDJOUEG-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN C[C@H](O)[C@H](C)NC[C@@H]1CCCCS1(=O)=O ZINC000570391138 323058057 /nfs/dbraw/zinc/05/80/57/323058057.db2.gz WJOMRXSUIFTFIO-GUBZILKMSA-N 0 3 235.349 0.313 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC[C@H](C)C(=O)OC ZINC000155401748 323061958 /nfs/dbraw/zinc/06/19/58/323061958.db2.gz AMKRAOIQPLHPLN-CIUDSAMLSA-N 0 3 230.308 0.285 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000570571415 323063517 /nfs/dbraw/zinc/06/35/17/323063517.db2.gz HXQSJIMIAMSUML-DTWKUNHWSA-N 0 3 241.335 0.239 20 0 BCADHN CNC(=O)N[C@@H]1CCN(C[C@@H](C)COC)C1 ZINC000570584906 323063561 /nfs/dbraw/zinc/06/35/61/323063561.db2.gz VNALIFMCXMMVDS-NXEZZACHSA-N 0 3 229.324 0.272 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)c1ccn(C)n1 ZINC000570571303 323063619 /nfs/dbraw/zinc/06/36/19/323063619.db2.gz FEVDVYIBHFFCPK-QMMMGPOBSA-N 0 3 222.292 0.523 20 0 BCADHN COC(=O)[C@@](C)(NC(=O)CNC1CC1)C1CC1 ZINC000570624765 323065004 /nfs/dbraw/zinc/06/50/04/323065004.db2.gz BVVWAYCFJWIVIR-LBPRGKRZSA-N 0 3 240.303 0.196 20 0 BCADHN O=C1[C@@H](NCC2(O)CCC2)C[C@H]2CCCCN12 ZINC000570626239 323065098 /nfs/dbraw/zinc/06/50/98/323065098.db2.gz AYLIKEBWQQDFKD-MNOVXSKESA-N 0 3 238.331 0.644 20 0 BCADHN OCCOCCN1CC[C@H](c2cccnc2)C1 ZINC000570629608 323065256 /nfs/dbraw/zinc/06/52/56/323065256.db2.gz OJDMGCVWBZJYET-ZDUSSCGKSA-N 0 3 236.315 0.880 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)C2(CF)CCC2)C1 ZINC000570685578 323067020 /nfs/dbraw/zinc/06/70/20/323067020.db2.gz SQEIUVKJMGXTPI-GFCCVEGCSA-N 0 3 244.310 0.309 20 0 BCADHN CNC(=O)c1cccc(CN[C@@H](C)[C@@H](C)O)c1 ZINC000562983921 323078016 /nfs/dbraw/zinc/07/80/16/323078016.db2.gz BJEYFXRPTBOSNT-VHSXEESVSA-N 0 3 236.315 0.905 20 0 BCADHN COc1ccc(CNC[C@@H](O)CSC)cn1 ZINC000562984704 323078043 /nfs/dbraw/zinc/07/80/43/323078043.db2.gz HWBUISONVZORRO-SNVBAGLBSA-N 0 3 242.344 0.904 20 0 BCADHN C[C@H](O)[C@H](C)NCc1n[nH]c(C2CC2)n1 ZINC000562998864 323078940 /nfs/dbraw/zinc/07/89/40/323078940.db2.gz SMXMSFFYCFHXHW-BQBZGAKWSA-N 0 3 210.281 0.541 20 0 BCADHN CC(C)OC(=O)NC[C@]1(O)CCN(C)C1 ZINC000497154533 323081487 /nfs/dbraw/zinc/08/14/87/323081487.db2.gz ZFUJZDPLMDEZRH-SNVBAGLBSA-N 0 3 216.281 0.188 20 0 BCADHN CC(C)N(C)CC(=O)NCC(F)(F)CO ZINC000186091172 323083098 /nfs/dbraw/zinc/08/30/98/323083098.db2.gz XNAJYDVBYDGTOE-UHFFFAOYSA-N 0 3 224.251 0.070 20 0 BCADHN COCc1csc(NC(=O)[C@H](CN)OC)n1 ZINC000563073503 323084835 /nfs/dbraw/zinc/08/48/35/323084835.db2.gz YPGNFFDJUYCXFM-ZETCQYMHSA-N 0 3 245.304 0.202 20 0 BCADHN O=C(CNC1CC1)Nc1nc(C2CC2)c[nH]1 ZINC000563095455 323091924 /nfs/dbraw/zinc/09/19/24/323091924.db2.gz UGXLVKFBKYJSBP-UHFFFAOYSA-N 0 3 220.276 0.978 20 0 BCADHN O=C(NCc1ncccc1[O-])[C@H]1C[C@]12CC[NH2+]C2 ZINC000563094306 323091958 /nfs/dbraw/zinc/09/19/58/323091958.db2.gz BJDVHGNVSLHCFM-RNCFNFMXSA-N 0 3 247.298 0.403 20 0 BCADHN Cc1c[nH]cc(C(=O)N2CCCNCC2)c1=O ZINC000563104554 323092504 /nfs/dbraw/zinc/09/25/04/323092504.db2.gz TYPIPYOIRRDJAR-UHFFFAOYSA-N 0 3 235.287 0.119 20 0 BCADHN CN(CC(=O)N1CCNCC1)CC1(C)CC1 ZINC000563129676 323094284 /nfs/dbraw/zinc/09/42/84/323094284.db2.gz KVGCSWCIHNVDIB-UHFFFAOYSA-N 0 3 225.336 0.150 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@H]2CCC(=O)C2)C1 ZINC000570968098 323102288 /nfs/dbraw/zinc/10/22/88/323102288.db2.gz OBPLUGGXEWLEAV-QWRGUYRKSA-N 0 3 238.331 0.814 20 0 BCADHN NC(=O)[C@@H]1CCCCN1C[C@@H]1CCCC[C@H]1O ZINC000563214819 323102837 /nfs/dbraw/zinc/10/28/37/323102837.db2.gz ANGDENHXENTLIA-SDDRHHMPSA-N 0 3 240.347 0.877 20 0 BCADHN NC(=O)[C@@H]1CCCCN1C[C@@H]1CCCC[C@@H]1O ZINC000563214820 323102899 /nfs/dbraw/zinc/10/28/99/323102899.db2.gz ANGDENHXENTLIA-SRVKXCTJSA-N 0 3 240.347 0.877 20 0 BCADHN CN1CCN([C@@H]2CCCNC2=O)CC1(C)C ZINC000571058472 323106208 /nfs/dbraw/zinc/10/62/08/323106208.db2.gz XIAURVZKOVIOQY-SNVBAGLBSA-N 0 3 225.336 0.291 20 0 BCADHN CC(=O)N1CC(N[C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000571060357 323106239 /nfs/dbraw/zinc/10/62/39/323106239.db2.gz MFVOEBICMPGXBO-DKCNOQQISA-N 0 3 212.293 0.373 20 0 BCADHN CCN(CCCC(=O)N(C)C)[C@@H]1CCNC1=O ZINC000563356660 323120479 /nfs/dbraw/zinc/12/04/79/323120479.db2.gz UDRVIPNTJYVVHX-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CN[C@@H](C)C(=O)N1CCOC2(CCOCC2)C1 ZINC000567366892 323121700 /nfs/dbraw/zinc/12/17/00/323121700.db2.gz NKQUZDMFBXQSMW-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN C[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C1CC1 ZINC000563394944 323122586 /nfs/dbraw/zinc/12/25/86/323122586.db2.gz OCRHXIGOUAEYHH-LSJOCFKGSA-N 0 3 226.320 0.166 20 0 BCADHN CCn1nccc1CNC[C@](C)(O)COC ZINC000309941346 323123241 /nfs/dbraw/zinc/12/32/41/323123241.db2.gz BSPCHFXACOVJAI-NSHDSACASA-N 0 3 227.308 0.390 20 0 BCADHN Cc1ncncc1[C@@H](C)NC[C@@H](O)CN(C)C ZINC000563417147 323123703 /nfs/dbraw/zinc/12/37/03/323123703.db2.gz ISTDRZPLRXVQIK-MWLCHTKSSA-N 0 3 238.335 0.358 20 0 BCADHN CC[C@H](N)C(=O)N(C)[C@H](C)c1nc(C)no1 ZINC000563410692 323124564 /nfs/dbraw/zinc/12/45/64/323124564.db2.gz JTRIDYNVEJLOCZ-SVRRBLITSA-N 0 3 226.280 0.635 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)c1ncc[nH]1)N(C)C ZINC000563413465 323124863 /nfs/dbraw/zinc/12/48/63/323124863.db2.gz OSZBYTXRUNSOGJ-RKDXNWHRSA-N 0 3 224.308 0.927 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000563449552 323126282 /nfs/dbraw/zinc/12/62/82/323126282.db2.gz IQFYPKZAIXNPOR-NEPJUHHUSA-N 0 3 249.314 0.346 20 0 BCADHN C[C@H](O)CCN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246053672 323127086 /nfs/dbraw/zinc/12/70/86/323127086.db2.gz PZZWRLBVQSXFIO-HBNTYKKESA-N 0 3 249.376 0.703 20 0 BCADHN O=C(Cn1ccnc1)N[C@H]1CCCc2cn[nH]c21 ZINC000563490597 323127723 /nfs/dbraw/zinc/12/77/23/323127723.db2.gz NNBOOGWHDKPFCT-JTQLQIEISA-N 0 3 245.286 0.800 20 0 BCADHN NC1(C(=O)NCCOC[C@H]2CCCO2)CCC1 ZINC000563621119 323131817 /nfs/dbraw/zinc/13/18/17/323131817.db2.gz USOYDYSSROKLQG-SNVBAGLBSA-N 0 3 242.319 0.180 20 0 BCADHN C[S@@](=O)C1(CNCC2(F)CC2)CC1 ZINC000308186456 323133625 /nfs/dbraw/zinc/13/36/25/323133625.db2.gz JOIMUAZLVJJQAJ-CYBMUJFWSA-N 0 3 205.298 0.989 20 0 BCADHN CN(C)C(=O)C(C)(C)NCCC1(O)CCC1 ZINC000571170327 323137424 /nfs/dbraw/zinc/13/74/24/323137424.db2.gz HTKFZAJOAPGKKU-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN CC(=O)NCCN(C)CCC(C)(C)O ZINC000571281668 323139907 /nfs/dbraw/zinc/13/99/07/323139907.db2.gz MZBGWHLGAPRNEI-UHFFFAOYSA-N 0 3 202.298 0.215 20 0 BCADHN COC[C@H](C)N(C)[C@H](C)C[S@@](C)=O ZINC000251541986 323140830 /nfs/dbraw/zinc/14/08/30/323140830.db2.gz GJDDOZWIGWXNBQ-IGJMFERPSA-N 0 3 207.339 0.720 20 0 BCADHN Cc1ncc(CNCC[C@@H](C)[S@@](C)=O)n1C ZINC000571344014 323142123 /nfs/dbraw/zinc/14/21/23/323142123.db2.gz BCQGDRHSWLHCGK-JDNHERCYSA-N 0 3 243.376 0.975 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000571514573 323146411 /nfs/dbraw/zinc/14/64/11/323146411.db2.gz ZXXUZOZSLLLSBL-NGZCFLSTSA-N 0 3 247.298 0.628 20 0 BCADHN CN[C@@H](C)C(=O)Nc1nnc2n(C)[nH]c(C)c1-2 ZINC000571581147 323148641 /nfs/dbraw/zinc/14/86/41/323148641.db2.gz ILOHIWVYQDJDRB-LURJTMIESA-N 0 3 236.279 0.151 20 0 BCADHN COC[C@@H](O)CN[C@H]1CCCc2c[nH]nc21 ZINC000571634777 323150122 /nfs/dbraw/zinc/15/01/22/323150122.db2.gz ZRWGGXHGDWLMAQ-UWVGGRQHSA-N 0 3 225.292 0.384 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1O ZINC000534917983 323162033 /nfs/dbraw/zinc/16/20/33/323162033.db2.gz ZPQOQLZMPHXWLN-SDDRHHMPSA-N 0 3 242.363 0.802 20 0 BCADHN O=C([C@@H]1CN2CCN1CCC2)N1C2CCC1CC2 ZINC000535004224 323162789 /nfs/dbraw/zinc/16/27/89/323162789.db2.gz MHKDKNAOEZHGBP-BPCQOVAHSA-N 0 3 249.358 0.530 20 0 BCADHN CC[C@@H](O)CN1C[C@@H](C)N(C)C[C@H]1C ZINC000535072976 323165560 /nfs/dbraw/zinc/16/55/60/323165560.db2.gz JGKYPQOLWTZUED-GMTAPVOTSA-N 0 3 200.326 0.782 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@H]2CCCO2)C1 ZINC000535159751 323167628 /nfs/dbraw/zinc/16/76/28/323167628.db2.gz MFIKNHCQJRFYIV-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](O)[C@H]1CCCN(CC(=O)N(C)C)C1 ZINC000305198366 323168111 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/nfs/dbraw/zinc/18/53/73/323185373.db2.gz PNPYFCJFYATKCC-RYUDHWBXSA-N 0 3 242.363 0.288 20 0 BCADHN CNC(=O)CCCNC(=O)[C@@H](N)C(C)(C)C ZINC000398413625 323185743 /nfs/dbraw/zinc/18/57/43/323185743.db2.gz ROQWJIBEIVIYAW-SECBINFHSA-N 0 3 229.324 0.002 20 0 BCADHN CCCNC(=O)CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000395063357 323186654 /nfs/dbraw/zinc/18/66/54/323186654.db2.gz PVIOAHWXULRJLR-KXUCPTDWSA-N 0 3 214.309 0.668 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@H](C)C[C@H](CO)C1 ZINC000398640118 323187507 /nfs/dbraw/zinc/18/75/07/323187507.db2.gz AHALYHAHHFMPDC-WOPDTQHZSA-N 0 3 242.363 0.851 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C2CC2)ncn1 ZINC000535714945 323189185 /nfs/dbraw/zinc/18/91/85/323189185.db2.gz JZKLQVKAFCRTDN-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN CN1CC[C@@H](C(=O)Nc2ccc(C(N)=O)nc2)C1 ZINC000535757897 323190537 /nfs/dbraw/zinc/19/05/37/323190537.db2.gz COIIFHDYHHIGAA-MRVPVSSYSA-N 0 3 248.286 0.071 20 0 BCADHN CCOCCN1CCC(N2CCNC2=O)CC1 ZINC000052216694 323192829 /nfs/dbraw/zinc/19/28/29/323192829.db2.gz AXPOSGNMPFVWDU-UHFFFAOYSA-N 0 3 241.335 0.513 20 0 BCADHN C[C@H]1CCN(CC(=O)NCCc2cncnc2)C1 ZINC000529932860 323194541 /nfs/dbraw/zinc/19/45/41/323194541.db2.gz XFFZRDFMPXYIRC-NSHDSACASA-N 0 3 248.330 0.477 20 0 BCADHN C[C@@H](NCC1(CO)COC1)c1ccoc1 ZINC000309022381 323194565 /nfs/dbraw/zinc/19/45/65/323194565.db2.gz XYKYJARNICLHOW-SECBINFHSA-N 0 3 211.261 0.939 20 0 BCADHN CO[C@@H](CNC(=O)[C@@H](N)C1CCC1)C(C)C ZINC000399089963 323196658 /nfs/dbraw/zinc/19/66/58/323196658.db2.gz SUYXKNYPUHBLCA-QWRGUYRKSA-N 0 3 228.336 0.901 20 0 BCADHN CN1CC[C@H](CNC(=O)c2nncs2)C1 ZINC000530185369 323205875 /nfs/dbraw/zinc/20/58/75/323205875.db2.gz SSHLDXDWGOFMGW-SSDOTTSWSA-N 0 3 226.305 0.220 20 0 BCADHN Cc1cnc(C(=O)NCCN2CCCC2)cn1 ZINC000041905321 323214531 /nfs/dbraw/zinc/21/45/31/323214531.db2.gz FCSIVYLCGILSNL-UHFFFAOYSA-N 0 3 234.303 0.611 20 0 BCADHN CCCCOCCN1C[C@@H](O)[C@H](OC)C1 ZINC000395380516 323224755 /nfs/dbraw/zinc/22/47/55/323224755.db2.gz YLQKHYJARQKTGV-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN CC[C@H](C)C(=O)N(CCN(C)C)CCN(C)C ZINC000104533135 323275599 /nfs/dbraw/zinc/27/55/99/323275599.db2.gz IVABTLGVBZTLET-LBPRGKRZSA-N 0 3 243.395 0.984 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@H](N2CCCC2)C1 ZINC000532544878 323276641 /nfs/dbraw/zinc/27/66/41/323276641.db2.gz IQCFGPRXGQXYSI-RYUDHWBXSA-N 0 3 237.347 0.435 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN(CC2CCC2)C1 ZINC000532757454 323294667 /nfs/dbraw/zinc/29/46/67/323294667.db2.gz WYALCIBDVAHHRR-SNVBAGLBSA-N 0 3 232.349 0.410 20 0 BCADHN [NH3+]C1(CNC(=O)c2c[n-]nn2)CCCCC1 ZINC000309201449 323328723 /nfs/dbraw/zinc/32/87/23/323328723.db2.gz BNWBYAWXNLNJAK-UHFFFAOYSA-N 0 3 223.280 0.196 20 0 BCADHN [NH3+]C1(CNC(=O)c2cnn[n-]2)CCCCC1 ZINC000309201449 323328725 /nfs/dbraw/zinc/32/87/25/323328725.db2.gz BNWBYAWXNLNJAK-UHFFFAOYSA-N 0 3 223.280 0.196 20 0 BCADHN [NH3+]C1(CNC(=O)c2cn[n-]n2)CCCCC1 ZINC000309201449 323328727 /nfs/dbraw/zinc/32/87/27/323328727.db2.gz BNWBYAWXNLNJAK-UHFFFAOYSA-N 0 3 223.280 0.196 20 0 BCADHN CC[C@@H]1OCC[C@H]1NC[C@@H](C)S(C)(=O)=O ZINC000563952562 323333530 /nfs/dbraw/zinc/33/35/30/323333530.db2.gz LHKFENWLFWSVMB-BBBLOLIVSA-N 0 3 235.349 0.577 20 0 BCADHN CC[C@H](N)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000309393773 323371496 /nfs/dbraw/zinc/37/14/96/323371496.db2.gz GGQCMIKIBGAXDV-NRPADANISA-N 0 3 214.309 0.796 20 0 BCADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)CS(C)(=O)=O ZINC000222062430 323374688 /nfs/dbraw/zinc/37/46/88/323374688.db2.gz IJIRSWKNXFJHNC-YIZRAAEISA-N 0 3 223.338 0.433 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NCc2ccc(=O)[nH]c2)C1 ZINC000392736679 323384913 /nfs/dbraw/zinc/38/49/13/323384913.db2.gz RRBGLBFTYXQDQI-MWLCHTKSSA-N 0 3 249.314 0.792 20 0 BCADHN COC[C@H](C)CN[C@H](CO)c1cnn(C)c1 ZINC000309503608 323419910 /nfs/dbraw/zinc/41/99/10/323419910.db2.gz AJCFSJMEYDFEGL-MWLCHTKSSA-N 0 3 227.308 0.326 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@H](N)C(C)C ZINC000041679370 487958869 /nfs/dbraw/zinc/95/88/69/487958869.db2.gz LEKQBQGGAQKLRL-DTWKUNHWSA-N 0 3 202.298 0.368 20 0 BCADHN C[C@H](O)CNCc1ccn2ccnc2c1 ZINC000572029005 323526510 /nfs/dbraw/zinc/52/65/10/323526510.db2.gz MYGHHQULIRGAKQ-VIFPVBQESA-N 0 3 205.261 0.805 20 0 BCADHN CC[C@@H](C)C[C@H](NC(=O)[C@@H](C)N)C(=O)OC ZINC000572040540 323529153 /nfs/dbraw/zinc/52/91/53/323529153.db2.gz FKNVTOHKFRLLDJ-HLTSFMKQSA-N 0 3 230.308 0.428 20 0 BCADHN CC(C)(O)c1ccc(CNCCO)cc1 ZINC000290082797 323611608 /nfs/dbraw/zinc/61/16/08/323611608.db2.gz LZWOHJPQJLZIFC-UHFFFAOYSA-N 0 3 209.289 0.996 20 0 BCADHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@H](O)C1CC1 ZINC000667215756 487960004 /nfs/dbraw/zinc/96/00/04/487960004.db2.gz OLULSDAZWDXZAY-NWDGAFQWSA-N 0 3 242.363 0.850 20 0 BCADHN O=C(NCc1ncc[nH]1)[C@H]1CCCc2[nH]cnc21 ZINC000537223747 324060313 /nfs/dbraw/zinc/06/03/13/324060313.db2.gz IHZOXULHDFWBNF-QMMMGPOBSA-N 0 3 245.286 0.869 20 0 BCADHN COC[C@@H](O)CN1CCS[C@H](C)C1 ZINC000123236351 324102559 /nfs/dbraw/zinc/10/25/59/324102559.db2.gz CUMNMAGZIZVEKA-BDAKNGLRSA-N 0 3 205.323 0.431 20 0 BCADHN CC1(C(N)=O)CN(C[C@@H]2CCCC[C@H]2O)C1 ZINC000572487883 324127679 /nfs/dbraw/zinc/12/76/79/324127679.db2.gz SWYMCPWAXRJLTN-VHSXEESVSA-N 0 3 226.320 0.345 20 0 BCADHN COC(=O)c1cncnc1N(C)CCN(C)C ZINC000304149670 324177305 /nfs/dbraw/zinc/17/73/05/324177305.db2.gz GPKOYXWZMJQHIZ-UHFFFAOYSA-N 0 3 238.291 0.261 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2cnc[nH]2)C1 ZINC000522967188 324204056 /nfs/dbraw/zinc/20/40/56/324204056.db2.gz AHIYDACWZHQCMC-SECBINFHSA-N 0 3 222.292 0.481 20 0 BCADHN CN1CC=C(CNC(=O)c2cccnn2)CC1 ZINC000528968417 324226632 /nfs/dbraw/zinc/22/66/32/324226632.db2.gz MDLRDBJOMUSSRF-UHFFFAOYSA-N 0 3 232.287 0.468 20 0 BCADHN Cc1cncn1CC(=O)N1CCC2(CN(C)C2)C1 ZINC000529174649 324256965 /nfs/dbraw/zinc/25/69/65/324256965.db2.gz KLALQICCKKGMQW-UHFFFAOYSA-N 0 3 248.330 0.356 20 0 BCADHN CC[C@@H]1CN(C(=O)c2cccnn2)C[C@H](C)N1 ZINC000529526411 324325390 /nfs/dbraw/zinc/32/53/90/324325390.db2.gz URLQJELMGGUPHZ-VHSXEESVSA-N 0 3 234.303 0.689 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2cccnn2)CCN1 ZINC000529527234 324325682 /nfs/dbraw/zinc/32/56/82/324325682.db2.gz MSTUFKWOXNPTPL-NSHDSACASA-N 0 3 234.303 0.547 20 0 BCADHN Cn1ccc(CNC[C@H]2COCCN2)c1 ZINC000530246144 324549969 /nfs/dbraw/zinc/54/99/69/324549969.db2.gz CXNWPKQSBCQNFC-NSHDSACASA-N 0 3 209.293 0.103 20 0 BCADHN Cc1ncccc1CNC[C@H](O)Cn1cccn1 ZINC000530242931 324553610 /nfs/dbraw/zinc/55/36/10/324553610.db2.gz PUXZLWBLIVIHPQ-ZDUSSCGKSA-N 0 3 246.314 0.737 20 0 BCADHN C[C@H](O)CNC[C@H]1c2ccccc2C(=O)N1C ZINC000530241921 324554082 /nfs/dbraw/zinc/55/40/82/324554082.db2.gz FERRYDXWKCJNBG-CABZTGNLSA-N 0 3 234.299 0.784 20 0 BCADHN NC1(C(=O)NCCc2ncc[nH]2)CCCC1 ZINC000158544868 487964932 /nfs/dbraw/zinc/96/49/32/487964932.db2.gz GTGQPMCYVYOTTB-UHFFFAOYSA-N 0 3 222.292 0.340 20 0 BCADHN CC(=O)N1CC[C@H](NCc2ccn(C)c2)C1 ZINC000126717704 324711636 /nfs/dbraw/zinc/71/16/36/324711636.db2.gz RGTUFHOSDGJRMY-LBPRGKRZSA-N 0 3 221.304 0.736 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000083913178 487965087 /nfs/dbraw/zinc/96/50/87/487965087.db2.gz ITROZDHXSNVQKV-JTQLQIEISA-N 0 3 248.330 0.514 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C1CCCCCC1 ZINC000673520134 487966278 /nfs/dbraw/zinc/96/62/78/487966278.db2.gz BWYNRJWECLXUEK-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](N)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000083911809 487965661 /nfs/dbraw/zinc/96/56/61/487965661.db2.gz KJENHVBFQLJUTB-JTQLQIEISA-N 0 3 247.298 0.209 20 0 BCADHN C[NH2+]CCN(C)C(=O)c1cc(OC)ccc1[O-] ZINC000070303513 325003996 /nfs/dbraw/zinc/00/39/96/325003996.db2.gz LLSOLPRRPJNTLV-UHFFFAOYSA-N 0 3 238.287 0.692 20 0 BCADHN CN1CCC(NC(=O)c2ccon2)CC1 ZINC000130062048 325009336 /nfs/dbraw/zinc/00/93/36/325009336.db2.gz KRMZOKYDCMSZRI-UHFFFAOYSA-N 0 3 209.249 0.499 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H](C)C[C@@H](C)O)N(C)C ZINC000542172095 325012261 /nfs/dbraw/zinc/01/22/61/325012261.db2.gz SABKSUZGBLTJHF-AXFHLTTASA-N 0 3 230.352 0.848 20 0 BCADHN CC[C@@H](N)C(=O)NCCc1ccc(C)nc1 ZINC000130425359 325051247 /nfs/dbraw/zinc/05/12/47/325051247.db2.gz DZLNGMJXXIKWQQ-LLVKDONJSA-N 0 3 221.304 0.786 20 0 BCADHN C[C@@H](N[C@@H]1CCO[C@@H]1C)C(=O)N(C)C ZINC000130483370 325057562 /nfs/dbraw/zinc/05/75/62/325057562.db2.gz FQVKNLPNCCZKJU-IWSPIJDZSA-N 0 3 200.282 0.230 20 0 BCADHN CC[C@@H](C)OCC(=O)NCCN(C)C ZINC000130583140 325068491 /nfs/dbraw/zinc/06/84/91/325068491.db2.gz CCPBEPDNJTXDRZ-SECBINFHSA-N 0 3 202.298 0.479 20 0 BCADHN CCOC(=O)NCCCC(=O)NCCN(C)C ZINC000130739769 325083171 /nfs/dbraw/zinc/08/31/71/325083171.db2.gz JQFHWJKSNLFBQH-UHFFFAOYSA-N 0 3 245.323 0.191 20 0 BCADHN CC[C@H](NCCCNC(C)=O)c1ccn(C)n1 ZINC000543603994 325093949 /nfs/dbraw/zinc/09/39/49/325093949.db2.gz XIHQJTPLCGLXGZ-NSHDSACASA-N 0 3 238.335 0.987 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@@]2(C)CCOC2)C1 ZINC000543587107 325095806 /nfs/dbraw/zinc/09/58/06/325095806.db2.gz ITUOILIADGGRIS-YPMHNXCESA-N 0 3 240.347 0.871 20 0 BCADHN CC[C@H](NC[C@H](O)CN(C)C)c1ccn(C)n1 ZINC000543601736 325096794 /nfs/dbraw/zinc/09/67/94/325096794.db2.gz 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CN1CC[C@@](O)(CNC(=O)NC2CCCC2)C1 ZINC000545175978 325183284 /nfs/dbraw/zinc/18/32/84/325183284.db2.gz PFPFXHZMVLZLTL-GFCCVEGCSA-N 0 3 241.335 0.295 20 0 BCADHN CCN(C)CCNc1cncc(OCCO)n1 ZINC000131898794 325190209 /nfs/dbraw/zinc/19/02/09/325190209.db2.gz BHVOTLWJWKDLGK-UHFFFAOYSA-N 0 3 240.307 0.211 20 0 BCADHN CNC(=O)CNC(=O)c1ccc(CN(C)C)cc1 ZINC000073542649 325203207 /nfs/dbraw/zinc/20/32/07/325203207.db2.gz ZJXYLXRCMULTRV-UHFFFAOYSA-N 0 3 249.314 0.224 20 0 BCADHN CCN(CC)CC(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000073943837 325217780 /nfs/dbraw/zinc/21/77/80/325217780.db2.gz BNWLGBNCCQEKGP-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CN(CCOC[C@@H]1CCCO1)C1CC(O)C1 ZINC000546094577 325264437 /nfs/dbraw/zinc/26/44/37/325264437.db2.gz DUMLBOMZFWLZRI-MCIGGMRASA-N 0 3 229.320 0.637 20 0 BCADHN CCS(=O)(=O)NCCCN1CCC[C@H]1C ZINC000133222971 325278310 /nfs/dbraw/zinc/27/83/10/325278310.db2.gz PDPJLPUJLGABLG-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN C[C@H]1C[N@H+](Cc2ncccc2[O-])CC[C@@H]1O ZINC000564302998 325281841 /nfs/dbraw/zinc/28/18/41/325281841.db2.gz YGWSLTDHGPKDBL-ONGXEEELSA-N 0 3 222.288 0.990 20 0 BCADHN CCn1ccnc1CNC[C@]1(O)CCN(C)C1 ZINC000546563488 325287135 /nfs/dbraw/zinc/28/71/35/325287135.db2.gz CJYBAXFGVAQBPK-GFCCVEGCSA-N 0 3 238.335 0.059 20 0 BCADHN COC(=O)C[C@H](C)C(=O)NC[C@H]1CCCN1C ZINC000133332054 325287142 /nfs/dbraw/zinc/28/71/42/325287142.db2.gz PHCWEDPQXWZZQM-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@H](C[C@H]1CCCO1)NC(=O)NCCN(C)C ZINC000133587762 325301875 /nfs/dbraw/zinc/30/18/75/325301875.db2.gz UOFNNCQVVPBZCC-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN CSCCCCNC(=O)NCCN(C)C ZINC000133714948 325312247 /nfs/dbraw/zinc/31/22/47/325312247.db2.gz XETKSIRSSGDGAI-UHFFFAOYSA-N 0 3 233.381 0.990 20 0 BCADHN CN(C)Cc1cccc(C(=O)NCCO)c1 ZINC000133792625 325319876 /nfs/dbraw/zinc/31/98/76/325319876.db2.gz GYVIUAOFJJSSEE-UHFFFAOYSA-N 0 3 222.288 0.470 20 0 BCADHN CCCN1CCN([C@H](CC)CO)CC1 ZINC000075958661 325323333 /nfs/dbraw/zinc/32/33/33/325323333.db2.gz IXZYILLPGIYERW-LLVKDONJSA-N 0 3 200.326 0.785 20 0 BCADHN CC[C@@H](CO)N1CCN(CCOC)CC1 ZINC000075958335 325323644 /nfs/dbraw/zinc/32/36/44/325323644.db2.gz XBQRKIDPJCXAAV-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN CC[C@]1(C)CCCN(CC(=O)NC(N)=O)C1 ZINC000075998612 325324600 /nfs/dbraw/zinc/32/46/00/325324600.db2.gz NARYHNHXHIVBEA-LLVKDONJSA-N 0 3 227.308 0.693 20 0 BCADHN C[C@H](NC(=O)NCCN(C)C)C1CCOCC1 ZINC000133892652 325327156 /nfs/dbraw/zinc/32/71/56/325327156.db2.gz LQMXPRMPZYHBHP-JTQLQIEISA-N 0 3 243.351 0.662 20 0 BCADHN CN(C)CCNC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000133941364 325333151 /nfs/dbraw/zinc/33/31/51/325333151.db2.gz ONSVTKSBFJUAKJ-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@](C)(NCCN1CCCCC1)C(N)=O ZINC000134012986 325337830 /nfs/dbraw/zinc/33/78/30/325337830.db2.gz VGSOOUBVLIVOCX-LBPRGKRZSA-N 0 3 227.352 0.716 20 0 BCADHN CC(C)[C@](C)(O)C(=O)NC[C@H]1CCCN(C)C1 ZINC000547455877 325357694 /nfs/dbraw/zinc/35/76/94/325357694.db2.gz ZURTUNKPBUDRRA-YPMHNXCESA-N 0 3 242.363 0.851 20 0 BCADHN COCCCNC(=O)[C@@H](C)N(C)CC1CC1 ZINC000077194625 325368720 /nfs/dbraw/zinc/36/87/20/325368720.db2.gz KHSVRSJSVIVXOE-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CCOC(=O)c1cnc(NCCN(C)C)cn1 ZINC000547638437 325377596 /nfs/dbraw/zinc/37/75/96/325377596.db2.gz HKWIEHWJOWMROP-UHFFFAOYSA-N 0 3 238.291 0.627 20 0 BCADHN O=C(c1ccncn1)N1CC[C@@H](N2CCCC2)C1 ZINC000548304856 325446661 /nfs/dbraw/zinc/44/66/61/325446661.db2.gz MXYJEJZYDGGNJU-LLVKDONJSA-N 0 3 246.314 0.787 20 0 BCADHN CC(C)[C@H]1CCCN1C(=O)CN1CCNCC1 ZINC000083936820 487967705 /nfs/dbraw/zinc/96/77/05/487967705.db2.gz FZQVKGZFXFAITN-GFCCVEGCSA-N 0 3 239.363 0.539 20 0 BCADHN CC(=O)N1CC(NC2Cc3ccccc3C2)C1 ZINC000564351510 325460022 /nfs/dbraw/zinc/46/00/22/325460022.db2.gz OIGSMWQBMXRVMM-UHFFFAOYSA-N 0 3 230.311 0.974 20 0 BCADHN COC[C@@H]1CCN(C(=O)CNC2CC2)C1 ZINC000081061224 325490108 /nfs/dbraw/zinc/49/01/08/325490108.db2.gz PFLDBPCNMNDADR-SECBINFHSA-N 0 3 212.293 0.233 20 0 BCADHN CCc1nocc1CNC[C@H](O)[C@@H]1CCOC1 ZINC000550156056 325525131 /nfs/dbraw/zinc/52/51/31/325525131.db2.gz IPDYBJPYSMYGIX-SKDRFNHKSA-N 0 3 240.303 0.724 20 0 BCADHN C[C@@H](CNC(=O)COC(F)F)N1CCCC1 ZINC000551997780 325581889 /nfs/dbraw/zinc/58/18/89/325581889.db2.gz NBMMHMIHRRWUTE-QMMMGPOBSA-N 0 3 236.262 0.826 20 0 BCADHN O=C(CC1CC1)NC[C@]1(O)CN2CCC1CC2 ZINC000552027030 325588702 /nfs/dbraw/zinc/58/87/02/325588702.db2.gz RQQPSZFIVWXBDO-ZDUSSCGKSA-N 0 3 238.331 0.359 20 0 BCADHN COCCCOC1CCN(CCO)CC1 ZINC000141241578 325601945 /nfs/dbraw/zinc/60/19/45/325601945.db2.gz MAKNTFYOKCSXMD-UHFFFAOYSA-N 0 3 217.309 0.496 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H](O)[C@@H](C)C1)N(C)C ZINC000249518732 325653244 /nfs/dbraw/zinc/65/32/44/325653244.db2.gz TVGFYJQAOPNSDA-AXFHLTTASA-N 0 3 228.336 0.556 20 0 BCADHN Cn1ccnc1CN[C@H]1CC[C@H](O)CC1 ZINC000252702783 325690678 /nfs/dbraw/zinc/69/06/78/325690678.db2.gz IQGSXIOMNQDEAG-MGCOHNPYSA-N 0 3 209.293 0.813 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H]1CC[C@H](O)CC1 ZINC000252730788 325693473 /nfs/dbraw/zinc/69/34/73/325693473.db2.gz MXPSGWSRMOJACE-GMTAPVOTSA-N 0 3 249.376 0.703 20 0 BCADHN C[C@H](C[S@@](C)=O)NC[C@H](O)C(F)(F)F ZINC000252946994 325700982 /nfs/dbraw/zinc/70/09/82/325700982.db2.gz MXKDOKXJENLWDW-JWMOJKERSA-N 0 3 233.255 0.266 20 0 BCADHN CC(C)OC1CCN([C@H]2COC[C@H]2O)CC1 ZINC000572691843 325722488 /nfs/dbraw/zinc/72/24/88/325722488.db2.gz AYDJAOIWOWRVQP-NWDGAFQWSA-N 0 3 229.320 0.636 20 0 BCADHN CCN(CC[C@@H]1CCCO1)CC(=O)N(C)C ZINC000682518551 487970103 /nfs/dbraw/zinc/97/01/03/487970103.db2.gz LPRQXVCJTDZTEJ-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCN(CC[C@H]1CCCO1)CC(=O)N(C)C ZINC000682518550 487970113 /nfs/dbraw/zinc/97/01/13/487970113.db2.gz LPRQXVCJTDZTEJ-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CSC[C@H](O)CNCCNC(=O)C(C)C ZINC000564844456 325815666 /nfs/dbraw/zinc/81/56/66/325815666.db2.gz LQJILNUHWXXDRV-SECBINFHSA-N 0 3 234.365 0.072 20 0 BCADHN CSC[C@@H](O)CNCc1cncn1C ZINC000564870022 325821483 /nfs/dbraw/zinc/82/14/83/325821483.db2.gz POIKCWKCPNSOCA-VIFPVBQESA-N 0 3 215.322 0.234 20 0 BCADHN CCC[C@H](NC(=O)[C@H](N)CC)C(=O)OC ZINC000564993640 325843062 /nfs/dbraw/zinc/84/30/62/325843062.db2.gz JRSIYACTPRZQEK-SFYZADRCSA-N 0 3 216.281 0.182 20 0 BCADHN C[C@H](O)CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1N ZINC000565475273 325915513 /nfs/dbraw/zinc/91/55/13/325915513.db2.gz JHFVDQPJMXTICZ-UHTWSYAYSA-N 0 3 248.326 0.743 20 0 BCADHN OC[C@@H](CC(F)F)NC[C@H](O)C(F)(F)F ZINC000565481508 325916922 /nfs/dbraw/zinc/91/69/22/325916922.db2.gz WZQNIBQYSKIQLD-UHNVWZDZSA-N 0 3 237.168 0.515 20 0 BCADHN NC(=O)[C@@]1(NC[C@H]2Cc3ccccc32)CCOC1 ZINC000565488268 325917703 /nfs/dbraw/zinc/91/77/03/325917703.db2.gz CTUIGSHJUANNGT-BXUZGUMPSA-N 0 3 246.310 0.560 20 0 BCADHN N[C@H](CC(=O)N1CCOCC1)Cc1ccccc1 ZINC000565593031 325931624 /nfs/dbraw/zinc/93/16/24/325931624.db2.gz BLSMTIHTGFQPMH-ZDUSSCGKSA-N 0 3 248.326 0.805 20 0 BCADHN CCSCCN1CC(C)(C(N)=O)C1 ZINC000565596022 325932195 /nfs/dbraw/zinc/93/21/95/325932195.db2.gz DGLLQIOCLLUMHZ-UHFFFAOYSA-N 0 3 202.323 0.547 20 0 BCADHN C[C@H](CC(=O)NC[C@H](C)N(C)C)n1ccnc1 ZINC000565665487 325940928 /nfs/dbraw/zinc/94/09/28/325940928.db2.gz RTLLPTHYXAQVTR-MNOVXSKESA-N 0 3 238.335 0.901 20 0 BCADHN COC[C@@H](O)CN[C@@H]1C[C@H]1c1ccco1 ZINC000565711411 325946324 /nfs/dbraw/zinc/94/63/24/325946324.db2.gz APQNWEQQJYOXFR-IVZWLZJFSA-N 0 3 211.261 0.732 20 0 BCADHN NC1(C(=O)N2CCNc3ccccc32)CC1 ZINC000566101219 325995230 /nfs/dbraw/zinc/99/52/30/325995230.db2.gz RPQXRYCNCPJUQM-UHFFFAOYSA-N 0 3 217.272 0.936 20 0 BCADHN C[C@H]1Oc2ccccc2[C@@H]1NCCC(N)=O ZINC000566131218 326001041 /nfs/dbraw/zinc/00/10/41/326001041.db2.gz WLQCSOFCCQXBSP-PRHODGIISA-N 0 3 220.272 0.974 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCc1cncn1C ZINC000566138948 326001805 /nfs/dbraw/zinc/00/18/05/326001805.db2.gz UTAFHOOQLICTCA-GFCCVEGCSA-N 0 3 236.363 0.989 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1cccn(C)c1=O ZINC000566175390 326006705 /nfs/dbraw/zinc/00/67/05/326006705.db2.gz RWAAYILVVIDZLX-MRVPVSSYSA-N 0 3 235.287 0.464 20 0 BCADHN C[C@H](CNc1ccccc1)NC(=O)[C@@H]1C[C@@H]1N ZINC000566190216 326009454 /nfs/dbraw/zinc/00/94/54/326009454.db2.gz CSFBYDXXDFPDPV-JLLWLGSASA-N 0 3 233.315 0.950 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000566189216 326009578 /nfs/dbraw/zinc/00/95/78/326009578.db2.gz NKAJOQUIGCLNTM-WHOHXGKFSA-N 0 3 232.283 0.108 20 0 BCADHN CC[C@H](NC[C@H](C)O)[C@@H](O)C(F)(F)F ZINC000566230700 326019409 /nfs/dbraw/zinc/01/94/09/326019409.db2.gz BFRVXBDPGPUQAL-LYFYHCNISA-N 0 3 215.215 0.659 20 0 BCADHN CC[C@H](N)C(=O)N1CCNC[C@H]1c1ccncc1 ZINC000566248556 326023222 /nfs/dbraw/zinc/02/32/22/326023222.db2.gz DMVSEYBCDXZTHA-RYUDHWBXSA-N 0 3 248.330 0.292 20 0 BCADHN C[C@H](N)C(=O)N(C)[C@H](CC(N)=O)c1ccccc1 ZINC000566249694 326024261 /nfs/dbraw/zinc/02/42/61/326024261.db2.gz DKHCNPLANJAQGM-GXSJLCMTSA-N 0 3 249.314 0.409 20 0 BCADHN NCC(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000566250478 326024288 /nfs/dbraw/zinc/02/42/88/326024288.db2.gz AITCGBXNCFMLGV-VIFPVBQESA-N 0 3 249.318 0.347 20 0 BCADHN [NH3+]CC(=O)N1CCC[C@H](c2nnc(C3CC3)[n-]2)C1 ZINC000566250478 326024290 /nfs/dbraw/zinc/02/42/90/326024290.db2.gz AITCGBXNCFMLGV-VIFPVBQESA-N 0 3 249.318 0.347 20 0 BCADHN CN(C)CCNC(=O)C1(CF)CCC1 ZINC000566275947 326027934 /nfs/dbraw/zinc/02/79/34/326027934.db2.gz XOOUAPXYDQJCPZ-UHFFFAOYSA-N 0 3 202.273 0.804 20 0 BCADHN CC[C@](C)(CO)C(=O)N1CCN(C)CC[C@@H]1C ZINC000566441188 326047555 /nfs/dbraw/zinc/04/75/55/326047555.db2.gz AZIBRXAAERYFMB-WCQYABFASA-N 0 3 242.363 0.948 20 0 BCADHN CCN(C)CCNC(=O)[C@H](C)N1CC(C)C1 ZINC000566442907 326048396 /nfs/dbraw/zinc/04/83/96/326048396.db2.gz VQUMUKLIZDTRIY-NSHDSACASA-N 0 3 227.352 0.395 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCn3cncc3C2)C1 ZINC000566452824 326050123 /nfs/dbraw/zinc/05/01/23/326050123.db2.gz PZVGQKKPNDBLKX-NSHDSACASA-N 0 3 248.330 0.567 20 0 BCADHN CCn1nncc1CNCCCN1CCC1 ZINC000566474236 326053450 /nfs/dbraw/zinc/05/34/50/326053450.db2.gz FZZCHQAOHYTUAJ-UHFFFAOYSA-N 0 3 223.324 0.483 20 0 BCADHN CN(C)CCNc1nccc2c(=O)[nH]cnc21 ZINC000566477778 326054620 /nfs/dbraw/zinc/05/46/20/326054620.db2.gz DEMZAIHGKSUJPC-UHFFFAOYSA-N 0 3 233.275 0.704 20 0 BCADHN C[C@H]1C[C@H](Nc2cc(=O)n(C)cn2)CN1C1CC1 ZINC000566482103 326055903 /nfs/dbraw/zinc/05/59/03/326055903.db2.gz KHSFQOHGLDNUFG-UWVGGRQHSA-N 0 3 248.330 0.817 20 0 BCADHN CSC[C@H](O)CNCCc1nc(C)no1 ZINC000566555998 326063146 /nfs/dbraw/zinc/06/31/46/326063146.db2.gz CWHGPEKNWHTSQD-MRVPVSSYSA-N 0 3 231.321 0.234 20 0 BCADHN COC(=O)[C@@](C)(NC(=O)CNC(C)C)C1CC1 ZINC000566630791 326070554 /nfs/dbraw/zinc/07/05/54/326070554.db2.gz DXNDKAHJKZEENP-LBPRGKRZSA-N 0 3 242.319 0.442 20 0 BCADHN NCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000566678957 326073655 /nfs/dbraw/zinc/07/36/55/326073655.db2.gz NMZRHJHTQIXBQJ-SZEHBUNVSA-N 0 3 210.277 0.019 20 0 BCADHN CC(C)OCCCNC[C@H](C)S(C)(=O)=O ZINC000566791689 326082803 /nfs/dbraw/zinc/08/28/03/326082803.db2.gz DXDBWMFSLZVJIA-JTQLQIEISA-N 0 3 237.365 0.824 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCOCC(F)(F)F ZINC000566794797 326083518 /nfs/dbraw/zinc/08/35/18/326083518.db2.gz FWEIKUXBCHUSAP-HTQZYQBOSA-N 0 3 243.225 0.569 20 0 BCADHN CC[C@H](NC(=O)CNCCOC)[C@@H]1CCCO1 ZINC000566862343 326087288 /nfs/dbraw/zinc/08/72/88/326087288.db2.gz CBEKLSPHJQLNSF-QWRGUYRKSA-N 0 3 244.335 0.296 20 0 BCADHN CCOC(=O)[C@@H]1CC[C@H](NC(=O)CNC)C1 ZINC000163202202 326087777 /nfs/dbraw/zinc/08/77/77/326087777.db2.gz IQKSAMUNXFMLJU-BDAKNGLRSA-N 0 3 228.292 0.054 20 0 BCADHN CC[C@@H](NC(=O)CNCCOC)[C@@H]1CCCO1 ZINC000566862342 326089619 /nfs/dbraw/zinc/08/96/19/326089619.db2.gz CBEKLSPHJQLNSF-MNOVXSKESA-N 0 3 244.335 0.296 20 0 BCADHN CCC[C@H](C)[C@@H](CO)NCC(=O)N(C)CC ZINC000566976110 326098964 /nfs/dbraw/zinc/09/89/64/326098964.db2.gz KDMXBXKNELZPMU-WDEREUQCSA-N 0 3 230.352 0.851 20 0 BCADHN CCC[C@H](C)[C@H](CO)NCC(=O)N(C)CC ZINC000566976109 326099047 /nfs/dbraw/zinc/09/90/47/326099047.db2.gz KDMXBXKNELZPMU-QWRGUYRKSA-N 0 3 230.352 0.851 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000307597676 326114245 /nfs/dbraw/zinc/11/42/45/326114245.db2.gz ODMPYGMWCHECDF-XHNCKOQMSA-N 0 3 200.282 0.265 20 0 BCADHN CC(C)OC[C@@H](O)CN[C@@H](C(N)=O)C(C)(C)C ZINC000153850896 326115472 /nfs/dbraw/zinc/11/54/72/326115472.db2.gz WTMDTNBPTSNDTP-UWVGGRQHSA-N 0 3 246.351 0.262 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCNc2ccccc21 ZINC000567160112 326124158 /nfs/dbraw/zinc/12/41/58/326124158.db2.gz OJOZWEPFUDBBJF-NSHDSACASA-N 0 3 235.287 0.419 20 0 BCADHN CC1CCN(CCN2CCN(C)C(=O)C2)CC1 ZINC000154005162 326124715 /nfs/dbraw/zinc/12/47/15/326124715.db2.gz ONZIMAWBINMGPH-UHFFFAOYSA-N 0 3 239.363 0.492 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc2nncn2c1 ZINC000567178934 326130802 /nfs/dbraw/zinc/13/08/02/326130802.db2.gz UVNQJWJARUISRB-ZETCQYMHSA-N 0 3 219.248 0.276 20 0 BCADHN COCCCNC(=O)CN1C[C@@H]2CCC[C@H]2C1 ZINC000154326835 326139759 /nfs/dbraw/zinc/13/97/59/326139759.db2.gz WOOKMQFDODRPTI-RYUDHWBXSA-N 0 3 240.347 0.871 20 0 BCADHN C[C@@H](C(=O)NCc1ncccc1[O-])C1C[NH2+]C1 ZINC000567232711 326147434 /nfs/dbraw/zinc/14/74/34/326147434.db2.gz FBXRADCEFCRURK-MRVPVSSYSA-N 0 3 235.287 0.259 20 0 BCADHN CC[C@H](N)C(=O)N1CCCN(CC(F)F)CC1 ZINC000567266110 326153564 /nfs/dbraw/zinc/15/35/64/326153564.db2.gz JBRUUUMISGEVTB-VIFPVBQESA-N 0 3 249.305 0.523 20 0 BCADHN O=C(CCNCC1(F)CC1)N1CCOCC1 ZINC000309584667 326162166 /nfs/dbraw/zinc/16/21/66/326162166.db2.gz RSMQDLJOLTWVSN-UHFFFAOYSA-N 0 3 230.283 0.327 20 0 BCADHN CCCCNC(=O)c1ccn(CCN(C)C)n1 ZINC000567364137 326175123 /nfs/dbraw/zinc/17/51/23/326175123.db2.gz BWQZOHIYRWOACQ-UHFFFAOYSA-N 0 3 238.335 0.975 20 0 BCADHN Cc1noc([C@@H](C)N(C)C(=O)CNC(C)C)n1 ZINC000567408709 326185311 /nfs/dbraw/zinc/18/53/11/326185311.db2.gz AHBHMFIGQNCWMY-MRVPVSSYSA-N 0 3 240.307 0.895 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CC)COC)N(C)C ZINC000155123651 326186169 /nfs/dbraw/zinc/18/61/69/326186169.db2.gz KPSRPWRHGUPXNI-VHSXEESVSA-N 0 3 216.325 0.868 20 0 BCADHN C[C@H](N)C(=O)NCCc1ccc(F)cc1F ZINC000155252892 326190227 /nfs/dbraw/zinc/19/02/27/326190227.db2.gz JNORTUSUWAMKDH-ZETCQYMHSA-N 0 3 228.242 0.971 20 0 BCADHN CCCNC(=O)[C@@H](C)N(C)CCCC(=O)NC ZINC000155273052 326191007 /nfs/dbraw/zinc/19/10/07/326191007.db2.gz FVJTYBPCYKABOF-SNVBAGLBSA-N 0 3 243.351 0.359 20 0 BCADHN CCNC(=O)CC(=O)Nc1cccc(CNC)c1 ZINC000567471152 326199356 /nfs/dbraw/zinc/19/93/56/326199356.db2.gz AQWCRWIIYUFUSN-UHFFFAOYSA-N 0 3 249.314 0.871 20 0 BCADHN CC[C@@H](N)C(=O)NCCn1cnc2ccccc21 ZINC000567497278 326205010 /nfs/dbraw/zinc/20/50/10/326205010.db2.gz OKMLENAPKYTSGJ-SNVBAGLBSA-N 0 3 246.314 0.890 20 0 BCADHN COC[C@@H](CCO)NCc1cnc(C)n1C ZINC000567522446 326209931 /nfs/dbraw/zinc/20/99/31/326209931.db2.gz QOWXCCYZYOZEHX-SNVBAGLBSA-N 0 3 227.308 0.216 20 0 BCADHN CN(CC(=O)N(C)C1CC1)CC1CCOCC1 ZINC000155772556 326211351 /nfs/dbraw/zinc/21/13/51/326211351.db2.gz IHMQQNIFNNBVLL-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](O)CC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000567557953 326216452 /nfs/dbraw/zinc/21/64/52/326216452.db2.gz YHTGGMVAFKHTKG-VXGBXAGGSA-N 0 3 240.347 0.700 20 0 BCADHN CC1(C)[C@H](NC(=O)[C@@H]2C[C@@H]2N)[C@@H]2CCCO[C@@H]21 ZINC000567660880 326240091 /nfs/dbraw/zinc/24/00/91/326240091.db2.gz FMCMHSYUMXHAMI-HWUMTFDVSA-N 0 3 238.331 0.653 20 0 BCADHN CCOCC[C@@H](O)CNCc1snnc1C ZINC000567696891 326246843 /nfs/dbraw/zinc/24/68/43/326246843.db2.gz KDIVVVYFCMVUGD-SECBINFHSA-N 0 3 245.348 0.724 20 0 BCADHN C[C@@H](CN[C@H]1[C@@H]2CCC[C@@H]21)S(C)(=O)=O ZINC000567699286 326247238 /nfs/dbraw/zinc/24/72/38/326247238.db2.gz HYOYDSOCIKLAME-AXTSPUMRSA-N 0 3 217.334 0.808 20 0 BCADHN CCn1cc(CN2CC[C@H](C(N)=O)C2)cn1 ZINC000157101399 326256755 /nfs/dbraw/zinc/25/67/55/326256755.db2.gz OHWJLQPRIQTPKS-JTQLQIEISA-N 0 3 222.292 0.210 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000157179268 326259690 /nfs/dbraw/zinc/25/96/90/326259690.db2.gz UIZATJWCNSVLLB-BKDNQFJXSA-N 0 3 220.272 0.108 20 0 BCADHN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1cscn1 ZINC000567861320 326272502 /nfs/dbraw/zinc/27/25/02/326272502.db2.gz WQAOGVLOPPVFGQ-ZETCQYMHSA-N 0 3 249.361 0.549 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@@H]2COC[C@H]2OC)C12CCC2 ZINC000567856973 326271548 /nfs/dbraw/zinc/27/15/48/326271548.db2.gz WBLAFAHAPNUBCS-DDHJBXDOSA-N 0 3 241.331 0.947 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CCN(C)C2)ncn1 ZINC000157430865 326274013 /nfs/dbraw/zinc/27/40/13/326274013.db2.gz PNHOKYDCSGHESI-JTQLQIEISA-N 0 3 234.303 0.467 20 0 BCADHN CC(C)COC[C@H](O)CN[C@@H]1C=C[C@H](CO)C1 ZINC000567877343 326275375 /nfs/dbraw/zinc/27/53/75/326275375.db2.gz NHXWFMQTWGUXSC-YNEHKIRRSA-N 0 3 243.347 0.547 20 0 BCADHN N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC000567889396 326276938 /nfs/dbraw/zinc/27/69/38/326276938.db2.gz UPAIVZOTLDAWAF-XQQFMLRXSA-N 0 3 245.326 0.302 20 0 BCADHN COC(=O)[C@H](CNC(=O)[C@@H](C)N)CC1CC1 ZINC000567909411 326281491 /nfs/dbraw/zinc/28/14/91/326281491.db2.gz WSLYSQRFZXIOAK-APPZFPTMSA-N 0 3 228.292 0.039 20 0 BCADHN CNCC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000568085732 326306249 /nfs/dbraw/zinc/30/62/49/326306249.db2.gz WIUYBBGJYILYAD-UWVGGRQHSA-N 0 3 212.293 0.280 20 0 BCADHN CN(C)CCOCCNC(=O)[C@H]1CCC(=O)C1 ZINC000568093574 326307095 /nfs/dbraw/zinc/30/70/95/326307095.db2.gz MSCWPPTXIULJPK-JTQLQIEISA-N 0 3 242.319 0.050 20 0 BCADHN CCCNC(=O)CN1CC[C@@H](O)C12CCCC2 ZINC000568160369 326316703 /nfs/dbraw/zinc/31/67/03/326316703.db2.gz TYISBELTWMKCBY-LLVKDONJSA-N 0 3 240.347 0.892 20 0 BCADHN CCCNC(=O)CCCN(C)C(C)(C)C(N)=O ZINC000568178469 326320990 /nfs/dbraw/zinc/32/09/90/326320990.db2.gz PHBOPXFZAPWEDB-UHFFFAOYSA-N 0 3 243.351 0.489 20 0 BCADHN C[C@@H](O)CCNC(=O)CN1CCC(C)(C)C1 ZINC000568195246 326324338 /nfs/dbraw/zinc/32/43/38/326324338.db2.gz APOUOJDCMGWTMH-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)CN(C)C ZINC000568211877 326327236 /nfs/dbraw/zinc/32/72/36/326327236.db2.gz MBPNFQRNTNFSAN-ZJUUUORDSA-N 0 3 238.335 0.655 20 0 BCADHN CC(=O)N1CC(NC[C@H]2CCSC2)C1 ZINC000568238725 326332360 /nfs/dbraw/zinc/33/23/60/326332360.db2.gz AVENOTFCNIYTAA-SECBINFHSA-N 0 3 214.334 0.560 20 0 BCADHN CC(=O)N1CC(N[C@@H](C)[C@@H]2CCCO2)C1 ZINC000568240128 326332835 /nfs/dbraw/zinc/33/28/35/326332835.db2.gz YVNMCUHQWOHKLC-KWQFWETISA-N 0 3 212.293 0.374 20 0 BCADHN CC(=O)N1CC(N[C@@H](C)CCn2cccn2)C1 ZINC000568239387 326332892 /nfs/dbraw/zinc/33/28/92/326332892.db2.gz KYRFNDXJBXISEL-JTQLQIEISA-N 0 3 236.319 0.482 20 0 BCADHN CC(=O)N1CC(N[C@H](C)[C@H]2CCCO2)C1 ZINC000568240129 326332981 /nfs/dbraw/zinc/33/29/81/326332981.db2.gz YVNMCUHQWOHKLC-LDYMZIIASA-N 0 3 212.293 0.374 20 0 BCADHN Cc1ncc(CNCCN2CCOCC2)n1C ZINC000568273625 326338702 /nfs/dbraw/zinc/33/87/02/326338702.db2.gz VAJRYHNALMEMNE-UHFFFAOYSA-N 0 3 238.335 0.150 20 0 BCADHN COCCOCCCNCc1cnc(C)n1C ZINC000568273265 326339159 /nfs/dbraw/zinc/33/91/59/326339159.db2.gz OQEMFJQBTKKLFK-UHFFFAOYSA-N 0 3 241.335 0.871 20 0 BCADHN N[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)C1CCC1 ZINC000568407109 326354757 /nfs/dbraw/zinc/35/47/57/326354757.db2.gz PPAWZSTZAFJLOZ-GRYCIOLGSA-N 0 3 237.347 0.467 20 0 BCADHN C[C@@H]1C[C@@H](C)N1CCN1C(=O)N[C@@H](C)C1=O ZINC000568482753 326358848 /nfs/dbraw/zinc/35/88/48/326358848.db2.gz MOWGVNVYCJOHOQ-HLTSFMKQSA-N 0 3 225.292 0.409 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)[C@@H](C)OC ZINC000568758532 326375519 /nfs/dbraw/zinc/37/55/19/326375519.db2.gz QRIRRECPWHJXLI-IWSPIJDZSA-N 0 3 245.323 0.234 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCc2ccc[nH]2)C1 ZINC000568778334 326377023 /nfs/dbraw/zinc/37/70/23/326377023.db2.gz OOISKXGMWBXMPW-SNVBAGLBSA-N 0 3 221.304 0.973 20 0 BCADHN CC[C@H](C(N)=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000568828146 326378403 /nfs/dbraw/zinc/37/84/03/326378403.db2.gz ODEBWNBYSGFKFY-HBNTYKKESA-N 0 3 225.336 0.419 20 0 BCADHN C[C@H](Cn1ccnc1)NC[C@H](C)S(C)(=O)=O ZINC000569095663 326389694 /nfs/dbraw/zinc/38/96/94/326389694.db2.gz VEONNEVHOQREBH-ZJUUUORDSA-N 0 3 245.348 0.294 20 0 BCADHN Cc1[nH]c(=O)[nH]c1C(=O)NCCN(C)C1CC1 ZINC000569136787 326392535 /nfs/dbraw/zinc/39/25/35/326392535.db2.gz GPQCZGXDUCVDEH-UHFFFAOYSA-N 0 3 238.291 0.248 20 0 BCADHN CCc1cc(CNC(=O)CNC(C)C)on1 ZINC000569140556 326392961 /nfs/dbraw/zinc/39/29/61/326392961.db2.gz KYPNWEALADNWOI-UHFFFAOYSA-N 0 3 225.292 0.851 20 0 BCADHN CN[C@@H](C)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000569257978 326398080 /nfs/dbraw/zinc/39/80/80/326398080.db2.gz LLZVFRFOINAUCA-QMMMGPOBSA-N 0 3 235.287 0.280 20 0 BCADHN CC[C@@H](NCCC(N)=O)[C@@H](O)C(F)(F)F ZINC000572762706 326409591 /nfs/dbraw/zinc/40/95/91/326409591.db2.gz BDXLNORMKWYVOG-IYSWYEEDSA-N 0 3 228.214 0.153 20 0 BCADHN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1cscn1 ZINC000573089207 326429016 /nfs/dbraw/zinc/42/90/16/326429016.db2.gz AQGKTAZOVRFYDB-PHDIDXHHSA-N 0 3 235.334 0.157 20 0 BCADHN C[C@H](CO)CN1C[C@H](CO)OC(C)(C)C1 ZINC000158713402 487972705 /nfs/dbraw/zinc/97/27/05/487972705.db2.gz ZUTKAVYTDKEAFO-VHSXEESVSA-N 0 3 217.309 0.087 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccc2c1OCC2 ZINC000083957951 487973831 /nfs/dbraw/zinc/97/38/31/487973831.db2.gz WMMPIZHTZPVOKH-SSDOTTSWSA-N 0 3 206.245 0.907 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CNc2ccccc2C1 ZINC000653204835 487974856 /nfs/dbraw/zinc/97/48/56/487974856.db2.gz HPNWOPYZGRZBBJ-MNOVXSKESA-N 0 3 233.315 0.877 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCC1(CO)CC1 ZINC000675611171 487974604 /nfs/dbraw/zinc/97/46/04/487974604.db2.gz XVIUTCXRTCHWLL-NSHDSACASA-N 0 3 240.347 0.750 20 0 BCADHN Cn1ncnc1CNCCN1CCCCC1 ZINC000083970848 487976364 /nfs/dbraw/zinc/97/63/64/487976364.db2.gz RIPZIBDDDAKNAV-UHFFFAOYSA-N 0 3 223.324 0.391 20 0 BCADHN COc1cccc(NC(=O)NCCN(C)C)n1 ZINC000667330052 487978080 /nfs/dbraw/zinc/97/80/80/487978080.db2.gz WYRAWBRJWVZMDG-UHFFFAOYSA-N 0 3 238.291 0.773 20 0 BCADHN NCC(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000655522618 487978091 /nfs/dbraw/zinc/97/80/91/487978091.db2.gz QBUHDAKPNFLLRP-BQBZGAKWSA-N 0 3 240.225 0.561 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H](CO)CC1)N(C)C ZINC000340981683 487979705 /nfs/dbraw/zinc/97/97/05/487979705.db2.gz CABNIHOAWFNSMF-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@@H]2COC[C@@H]2O)C1(C)C ZINC000134394410 487981362 /nfs/dbraw/zinc/98/13/62/487981362.db2.gz GSDVXXGGMQWBBM-VPOLOUISSA-N 0 3 229.320 0.539 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)Cc1cccs1 ZINC000673522278 487984924 /nfs/dbraw/zinc/98/49/24/487984924.db2.gz GAXFTOSXBTZHHA-SECBINFHSA-N 0 3 242.344 0.329 20 0 BCADHN Cc1cc(C)c(C(=O)N[C@H](CO)CN(C)C)o1 ZINC000673522304 487985117 /nfs/dbraw/zinc/98/51/17/487985117.db2.gz GKCHWXSVIAPUPU-JTQLQIEISA-N 0 3 240.303 0.549 20 0 BCADHN CCN1CCN(C(=O)[C@H]2CCCN2C)C[C@@H]1C ZINC000677171055 487987164 /nfs/dbraw/zinc/98/71/64/487987164.db2.gz CBKXMXPHIZQKGW-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN CN1CCCN(c2ncnc3c2OCCN3)CC1 ZINC000665688668 487987569 /nfs/dbraw/zinc/98/75/69/487987569.db2.gz QFCUJYBPIYGDPO-UHFFFAOYSA-N 0 3 249.318 0.423 20 0 BCADHN CC(=O)NCC(=O)NCc1ccc2c(c1)CNC2 ZINC000134527042 487987999 /nfs/dbraw/zinc/98/79/99/487987999.db2.gz RWRIXULUCWUPGD-UHFFFAOYSA-N 0 3 247.298 0.042 20 0 BCADHN C[C@@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)N(C)C ZINC000154132365 487990645 /nfs/dbraw/zinc/99/06/45/487990645.db2.gz UIURYZPBPUXVLX-AEJSXWLSSA-N 0 3 213.325 0.145 20 0 BCADHN CCN(C)C(=O)CCN1CCN(CC)[C@H](C)C1 ZINC000677191362 487994126 /nfs/dbraw/zinc/99/41/26/487994126.db2.gz ARAICRBDZAWFNA-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CCN1CCN(CCC(=O)NC(C)C)C[C@@H]1C ZINC000677191065 487995225 /nfs/dbraw/zinc/99/52/25/487995225.db2.gz CPMFFULYOMRTLO-LBPRGKRZSA-N 0 3 241.379 0.927 20 0 BCADHN CCN1CC[C@H](N[C@@H]2C[C@H](O)C2(C)C)C1=O ZINC000309640052 487996685 /nfs/dbraw/zinc/99/66/85/487996685.db2.gz KOLOWRHCYGVHRQ-AEJSXWLSSA-N 0 3 226.320 0.356 20 0 BCADHN CCN1CCN(CCN2CCOCC2)C[C@H]1C ZINC000677192001 487996697 /nfs/dbraw/zinc/99/66/97/487996697.db2.gz OXPQEFGXBAKOTD-CYBMUJFWSA-N 0 3 241.379 0.345 20 0 BCADHN CCOC(=O)c1cc(CNCC2COC2)on1 ZINC000602723275 487998398 /nfs/dbraw/zinc/99/83/98/487998398.db2.gz DPYGUJKEECEBRO-UHFFFAOYSA-N 0 3 240.259 0.587 20 0 BCADHN C[C@H]1CCN1C(=O)NCCOCCN(C)C ZINC000682615053 488002848 /nfs/dbraw/zinc/00/28/48/488002848.db2.gz 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N[C@@H]1C[C@@H]1C(=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000257361999 488019604 /nfs/dbraw/zinc/01/96/04/488019604.db2.gz LVQYSQBKRRJDIT-JXUBOQSCSA-N 0 3 210.277 0.114 20 0 BCADHN CC(C)N(C)C(=O)N[C@H](CN)C(F)(F)F ZINC000655923683 488021760 /nfs/dbraw/zinc/02/17/60/488021760.db2.gz ZZAJOBADUZOPDB-ZCFIWIBFSA-N 0 3 227.230 0.926 20 0 BCADHN CN1CCC[C@H](CNC(=O)N[C@@H]2CCOC2)C1 ZINC000159338063 488021975 /nfs/dbraw/zinc/02/19/75/488021975.db2.gz NIFQKQVFNDQNBV-GHMZBOCLSA-N 0 3 241.335 0.416 20 0 BCADHN CCN1CCC(N[C@H](C)c2ncn(C)n2)CC1 ZINC000391872287 488024410 /nfs/dbraw/zinc/02/44/10/488024410.db2.gz IOSFKYZRTMUUMI-SNVBAGLBSA-N 0 3 237.351 0.950 20 0 BCADHN OC[C@H]1CCCN1Cc1cnc2n1CCC2 ZINC000667494692 488027414 /nfs/dbraw/zinc/02/74/14/488027414.db2.gz HWKPQEXXSPCTCC-SNVBAGLBSA-N 0 3 221.304 0.786 20 0 BCADHN OC[C@H]1CCCN1Cc1cnn2c1CCC2 ZINC000667495064 488026944 /nfs/dbraw/zinc/02/69/44/488026944.db2.gz WVEWVRYDKQNSKU-LLVKDONJSA-N 0 3 221.304 0.786 20 0 BCADHN CCN(CCC[C@H](C)O)CC(=O)N(C)C ZINC000682755865 488029718 /nfs/dbraw/zinc/02/97/18/488029718.db2.gz LUAJZZFURCATNK-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN CC[C@H](NC(=O)CN)[C@H]1CCCCO1 ZINC000655525286 488031045 /nfs/dbraw/zinc/03/10/45/488031045.db2.gz MQTIDEBOMAIGEQ-DTWKUNHWSA-N 0 3 200.282 0.409 20 0 BCADHN NC(=O)CCNCc1ccc(CO)cc1 ZINC000227573356 488033775 /nfs/dbraw/zinc/03/37/75/488033775.db2.gz SPYRPQITBSLESB-UHFFFAOYSA-N 0 3 208.261 0.144 20 0 BCADHN O=C(NC[C@H]1CNCCO1)Nc1ccccc1 ZINC000036287737 488033531 /nfs/dbraw/zinc/03/35/31/488033531.db2.gz UPVROIATJVJTDN-LLVKDONJSA-N 0 3 235.287 0.797 20 0 BCADHN C[C@@H](N[C@@H](C)Cc1ccc(O)cc1)C(N)=O ZINC000147527937 488033782 /nfs/dbraw/zinc/03/37/82/488033782.db2.gz BEHTXIXRJNCWRJ-DTWKUNHWSA-N 0 3 222.288 0.787 20 0 BCADHN Cc1noc(CN(C)C(=O)[C@H](N)CC(C)C)n1 ZINC000655527640 488036281 /nfs/dbraw/zinc/03/62/81/488036281.db2.gz YDSSOHWRMVPNFP-SECBINFHSA-N 0 3 240.307 0.710 20 0 BCADHN Cc1ccncc1CNC[C@@H]1CCC(=O)N1 ZINC000135462060 488037029 /nfs/dbraw/zinc/03/70/29/488037029.db2.gz LXTQJIVKZDFQMZ-NSHDSACASA-N 0 3 219.288 0.758 20 0 BCADHN COC(=O)C(C)(C)NC(=O)/C=C\CN(C)C ZINC000491683886 488037665 /nfs/dbraw/zinc/03/76/65/488037665.db2.gz BQJUYWAKIWAZLI-SREVYHEPSA-N 0 3 228.292 0.172 20 0 BCADHN CCc1nnc(CN2C[C@H](C)N(C)C[C@H]2C)[nH]1 ZINC000355086698 488039380 /nfs/dbraw/zinc/03/93/80/488039380.db2.gz KKLVUQDLPNUJMQ-VHSXEESVSA-N 0 3 237.351 0.892 20 0 BCADHN CCc1nc(CN2C[C@H](C)N(C)C[C@H]2C)n[nH]1 ZINC000355086698 488039381 /nfs/dbraw/zinc/03/93/81/488039381.db2.gz KKLVUQDLPNUJMQ-VHSXEESVSA-N 0 3 237.351 0.892 20 0 BCADHN CCN(CCCc1cnn(C)c1)CC(N)=O ZINC000682778717 488039562 /nfs/dbraw/zinc/03/95/62/488039562.db2.gz PFPDSZBDQQYPFT-UHFFFAOYSA-N 0 3 224.308 0.160 20 0 BCADHN CCCCN(C)CCNC(=O)[C@H](COC)OC ZINC000668639005 488039901 /nfs/dbraw/zinc/03/99/01/488039901.db2.gz RXWMNQPHVBTBSI-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CC[C@@H](C(=O)NCc1cc(C)ncn1)N(C)C ZINC000677465165 488043021 /nfs/dbraw/zinc/04/30/21/488043021.db2.gz GKFHBVLKMBCCNY-NSHDSACASA-N 0 3 236.319 0.741 20 0 BCADHN CN(C(=O)c1ncc[nH]1)[C@H]1CCCN(C)C1 ZINC000669177184 488043064 /nfs/dbraw/zinc/04/30/64/488043064.db2.gz GURAGYLSGLKGCC-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](CC(N)=O)C2)n1 ZINC000685474543 488043321 /nfs/dbraw/zinc/04/33/21/488043321.db2.gz AJPZQNMXHNFUHF-SNVBAGLBSA-N 0 3 249.314 0.793 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](CC(N)=O)C2)n1 ZINC000685474543 488043324 /nfs/dbraw/zinc/04/33/24/488043324.db2.gz AJPZQNMXHNFUHF-SNVBAGLBSA-N 0 3 249.314 0.793 20 0 BCADHN CC(C)(C)CCNC(=O)COC1(C)CNC1 ZINC000165826983 488044482 /nfs/dbraw/zinc/04/44/82/488044482.db2.gz QPTQOGKUEFQNSU-UHFFFAOYSA-N 0 3 228.336 0.917 20 0 BCADHN CC1(OCC(=O)NC2(C)CCCC2)CNC1 ZINC000165834466 488045268 /nfs/dbraw/zinc/04/52/68/488045268.db2.gz NSQHVWBVYMXNQY-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN CN(C(=O)[C@H](O)C1CC1)[C@@H]1CCCN(C)C1 ZINC000669179294 488045305 /nfs/dbraw/zinc/04/53/05/488045305.db2.gz WAXRGYAOQSSELF-GHMZBOCLSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@H]1C[C@H](C)CN1C(=O)COC1(C)CNC1 ZINC000165850495 488046381 /nfs/dbraw/zinc/04/63/81/488046381.db2.gz QJHXBLZZHRMUBP-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN CC1(OCC(=O)N2CCCSCC2)CNC1 ZINC000165854587 488046586 /nfs/dbraw/zinc/04/65/86/488046586.db2.gz FWMOFLAFIFEQAK-UHFFFAOYSA-N 0 3 244.360 0.330 20 0 BCADHN C[C@H]1C[C@H](C)N(C(=O)COC2(C)CNC2)C1 ZINC000165850252 488046807 /nfs/dbraw/zinc/04/68/07/488046807.db2.gz QJHXBLZZHRMUBP-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN CC1(OCC(=O)Nc2ccccn2)CNC1 ZINC000165852327 488046826 /nfs/dbraw/zinc/04/68/26/488046826.db2.gz CBWXATNIVARAQE-UHFFFAOYSA-N 0 3 221.260 0.399 20 0 BCADHN CC(C)O[C@H]1CCCN(C(=O)CN)C1 ZINC000212807642 488048822 /nfs/dbraw/zinc/04/88/22/488048822.db2.gz NTQTVPHQUSRACN-VIFPVBQESA-N 0 3 200.282 0.361 20 0 BCADHN Cc1ncoc1C(=O)N[C@@H](CN)C(F)(F)F ZINC000401701587 488049267 /nfs/dbraw/zinc/04/92/67/488049267.db2.gz AEOQQKJDKMIASN-YFKPBYRVSA-N 0 3 237.181 0.602 20 0 BCADHN CO[C@@]1(CO)CCCN(C[C@@H]2CCCO2)C1 ZINC000401707406 488050023 /nfs/dbraw/zinc/05/00/23/488050023.db2.gz FOXXRPYGHOHRCO-RYUDHWBXSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C2(N(C)C)CC2)CCN1C ZINC000669182881 488051174 /nfs/dbraw/zinc/05/11/74/488051174.db2.gz NQWQKLHPOVBESK-WDEREUQCSA-N 0 3 239.363 0.680 20 0 BCADHN CCNCc1cn(CCN2CCCC2)nn1 ZINC000052377437 488054883 /nfs/dbraw/zinc/05/48/83/488054883.db2.gz FKFAKLMRPGLESD-UHFFFAOYSA-N 0 3 223.324 0.483 20 0 BCADHN CO[C@]1(CO)CCCN(CCOC(C)C)C1 ZINC000401724800 488057078 /nfs/dbraw/zinc/05/70/78/488057078.db2.gz PQKBBSJMZQHXQK-GFCCVEGCSA-N 0 3 231.336 0.885 20 0 BCADHN COC[C@H](C)CC(=O)N[C@@H](CN)C(F)(F)F ZINC000401765805 488065150 /nfs/dbraw/zinc/06/51/50/488065150.db2.gz YJNXVKVFEFAQFZ-RQJHMYQMSA-N 0 3 242.241 0.665 20 0 BCADHN COC[C@@H](C)N1CCC[C@@](CO)(OC)C1 ZINC000401768350 488066549 /nfs/dbraw/zinc/06/65/49/488066549.db2.gz HVSVUGHCCNUTRO-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN CO[C@@]1(CO)CCCN(CCc2cn[nH]c2)C1 ZINC000401787145 488067553 /nfs/dbraw/zinc/06/75/53/488067553.db2.gz LLPIYLVBXPFNRB-LBPRGKRZSA-N 0 3 239.319 0.426 20 0 BCADHN Cc1ccc(C(=O)N[C@@H](CN)C(F)(F)F)n1C ZINC000401790854 488067901 /nfs/dbraw/zinc/06/79/01/488067901.db2.gz GWTJGGVLHCRUNP-QMMMGPOBSA-N 0 3 249.236 0.953 20 0 BCADHN CC(C)NC(=O)N[C@@H](CN)C(F)(F)F ZINC000401862206 488071517 /nfs/dbraw/zinc/07/15/17/488071517.db2.gz YDVZEEFGHVEHQR-YFKPBYRVSA-N 0 3 213.203 0.584 20 0 BCADHN CC[C@@H](C(N)=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000451082976 488072454 /nfs/dbraw/zinc/07/24/54/488072454.db2.gz OYRCQNFSRTWJDD-JQWIXIFHSA-N 0 3 239.363 0.666 20 0 BCADHN Cc1ncc(CN2CC[C@@](C)(O)C2)n1C ZINC000667688195 488087974 /nfs/dbraw/zinc/08/79/74/488087974.db2.gz IPVDUAVIDNVQJJ-LLVKDONJSA-N 0 3 209.293 0.685 20 0 BCADHN CCN1CC[C@H](N[C@@H](C)COC)C1=O ZINC000389336657 488089475 /nfs/dbraw/zinc/08/94/75/488089475.db2.gz WTTDUIYUUKBJIK-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN NC(=O)c1ccccc1OC[C@H]1CNCCO1 ZINC000080745132 488090430 /nfs/dbraw/zinc/09/04/30/488090430.db2.gz YVLGYYMYFCAFBG-SECBINFHSA-N 0 3 236.271 0.153 20 0 BCADHN CC[C@H](N)C(=O)NC1(CC)CCOCC1 ZINC000389398860 488093503 /nfs/dbraw/zinc/09/35/03/488093503.db2.gz HNLCWUYNBWATBK-VIFPVBQESA-N 0 3 214.309 0.799 20 0 BCADHN CCOC1CCN(C(=O)CNCCOC)CC1 ZINC000092509477 488096886 /nfs/dbraw/zinc/09/68/86/488096886.db2.gz SUEBNSZFASANRE-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN C[C@H]1CC(=O)NCCN1CC1(C)COC1 ZINC000677714965 488097406 /nfs/dbraw/zinc/09/74/06/488097406.db2.gz PWYLYIPRNOAEPM-VIFPVBQESA-N 0 3 212.293 0.233 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000236950552 488098314 /nfs/dbraw/zinc/09/83/14/488098314.db2.gz VTBMFLYHYNPSID-JTQLQIEISA-N 0 3 236.319 0.819 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)CCCCO ZINC000092677330 488100990 /nfs/dbraw/zinc/10/09/90/488100990.db2.gz VJMKOCRWNHVGDC-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)C1(N)CCCC1 ZINC000237004360 488101081 /nfs/dbraw/zinc/10/10/81/488101081.db2.gz BPHIOMNCQXYDOA-VHSXEESVSA-N 0 3 228.336 0.781 20 0 BCADHN C1CN[C@@H](c2noc([C@@H]3CCCN3)n2)C1 ZINC000258133168 488102225 /nfs/dbraw/zinc/10/22/25/488102225.db2.gz UVCIWAXWAISNDD-SFYZADRCSA-N 0 3 208.265 0.919 20 0 BCADHN O=C(C[C@H]1NCc2ccccc21)N1CCNCC1 ZINC000258132131 488102295 /nfs/dbraw/zinc/10/22/95/488102295.db2.gz MGJDDTQGVVOABL-CYBMUJFWSA-N 0 3 245.326 0.653 20 0 BCADHN O=C1NCC[C@@H]1N1CCC2(CCOC2)CC1 ZINC000677724926 488102830 /nfs/dbraw/zinc/10/28/30/488102830.db2.gz KFHASKPUMODTBG-JTQLQIEISA-N 0 3 224.304 0.377 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@H](OC)C(C)(C)C1 ZINC000451548347 488103356 /nfs/dbraw/zinc/10/33/56/488103356.db2.gz FEJAMLUSOJWTKS-UWVGGRQHSA-N 0 3 228.336 0.997 20 0 BCADHN CCOC[C@H](O)CN(C)C1(COC)CC1 ZINC000677728333 488104366 /nfs/dbraw/zinc/10/43/66/488104366.db2.gz VAXCTFRNZHQZOM-SNVBAGLBSA-N 0 3 217.309 0.495 20 0 BCADHN CCCn1nccc1CNCCC(=O)N(C)C ZINC000160092114 488105205 /nfs/dbraw/zinc/10/52/05/488105205.db2.gz VNOSFGRMWMRUQU-UHFFFAOYSA-N 0 3 238.335 0.861 20 0 BCADHN CNC(=O)CCN(C)C1(COC)CC1 ZINC000677728620 488107156 /nfs/dbraw/zinc/10/71/56/488107156.db2.gz ZEHRTHKHJLAUKP-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN COC[C@@H](O)CN1CC[C@H](C(F)F)C1 ZINC000677731129 488109512 /nfs/dbraw/zinc/10/95/12/488109512.db2.gz KEKHTWDOKLOLIG-YUMQZZPRSA-N 0 3 209.236 0.581 20 0 BCADHN CC(C)(CO)CNC[C@@H](O)C(F)(F)F ZINC000168648920 487536515 /nfs/dbraw/zinc/53/65/15/487536515.db2.gz KEUFARYCKOCZDK-ZCFIWIBFSA-N 0 3 215.215 0.518 20 0 BCADHN NC(=O)C[C@@H]1CCN(Cc2cncs2)C1 ZINC000685475171 487537327 /nfs/dbraw/zinc/53/73/27/487537327.db2.gz ZTKVZGLRTLNQNV-QMMMGPOBSA-N 0 3 225.317 0.840 20 0 BCADHN CCn1nncc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000662029930 488113610 /nfs/dbraw/zinc/11/36/10/488113610.db2.gz JYPAHWVWCAPPCF-GHMZBOCLSA-N 0 3 236.319 0.766 20 0 BCADHN O=C(NCCN[C@@H]1CO[C@@H](C2CC2)C1)C1CC1 ZINC000667766327 488114549 /nfs/dbraw/zinc/11/45/49/488114549.db2.gz XCCAJUDHGBELEQ-NWDGAFQWSA-N 0 3 238.331 0.670 20 0 BCADHN CN(C)CCn1cc(NC(=O)c2ncc[nH]2)cn1 ZINC000667772768 488116916 /nfs/dbraw/zinc/11/69/16/488116916.db2.gz SLTZSYQLJCPQET-UHFFFAOYSA-N 0 3 248.290 0.420 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2ccc(N)cn2)CCN1 ZINC000669514959 488125194 /nfs/dbraw/zinc/12/51/94/488125194.db2.gz WLKZOXFUTYEDBN-GFCCVEGCSA-N 0 3 248.330 0.734 20 0 BCADHN Cc1cc(CNC(=O)NCCN(C)C)[nH]n1 ZINC000677804232 488125986 /nfs/dbraw/zinc/12/59/86/488125986.db2.gz GSCFKWCXLZJMMB-UHFFFAOYSA-N 0 3 225.296 0.079 20 0 BCADHN Cc1cc(CNC(=O)NCCN(C)C)n[nH]1 ZINC000677804232 488125991 /nfs/dbraw/zinc/12/59/91/488125991.db2.gz GSCFKWCXLZJMMB-UHFFFAOYSA-N 0 3 225.296 0.079 20 0 BCADHN O=C1NCCC[C@@H]1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000667821973 488128617 /nfs/dbraw/zinc/12/86/17/488128617.db2.gz SFSUCDSNFFDJRH-OUAUKWLOSA-N 0 3 224.304 0.422 20 0 BCADHN C[C@@H](O)C1(NCc2cnn3c2CCC3)CC1 ZINC000668699585 488131320 /nfs/dbraw/zinc/13/13/20/488131320.db2.gz FZAJISYXDXEXLX-SECBINFHSA-N 0 3 221.304 0.832 20 0 BCADHN CCNC(=O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000300833291 487540089 /nfs/dbraw/zinc/54/00/89/487540089.db2.gz CIMJEQNSHBEGQI-JTQLQIEISA-N 0 3 225.296 0.070 20 0 BCADHN C1=C(CN2CCc3n[nH]nc3C2)COCC1 ZINC000668790627 487542648 /nfs/dbraw/zinc/54/26/48/487542648.db2.gz COESYQMZCVKXNE-UHFFFAOYSA-N 0 3 220.276 0.510 20 0 BCADHN C[C@@H](C(=O)N[C@@H]1CCCN(C)C1)N(C)C ZINC000674264493 487542908 /nfs/dbraw/zinc/54/29/08/487542908.db2.gz XDYOVHVWKUALPO-VHSXEESVSA-N 0 3 213.325 0.147 20 0 BCADHN C[C@@H](CO)CN(CCO)Cc1cccnc1 ZINC000121232897 490079783 /nfs/dbraw/zinc/07/97/83/490079783.db2.gz HIUCNPJOAUAOPO-LLVKDONJSA-N 0 3 224.304 0.504 20 0 BCADHN CN(CCNC(=O)c1ccc(CN)o1)C1CC1 ZINC000094571637 487545660 /nfs/dbraw/zinc/54/56/60/487545660.db2.gz GZRPXKOTZDNEHI-UHFFFAOYSA-N 0 3 237.303 0.562 20 0 BCADHN Cc1nc(C)c(CN2CC[C@H](C(N)=O)C2)o1 ZINC000685563417 487545925 /nfs/dbraw/zinc/54/59/25/487545925.db2.gz PDSLOEIQSWLSAJ-VIFPVBQESA-N 0 3 223.276 0.599 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2cnn3c2CCC3)C1 ZINC000668244075 487546115 /nfs/dbraw/zinc/54/61/15/487546115.db2.gz PONMMUDWQMEPFU-JTQLQIEISA-N 0 3 248.330 0.397 20 0 BCADHN CCCn1nccc1CNC[C@@]1(O)CCOC1 ZINC000227120136 487546684 /nfs/dbraw/zinc/54/66/84/487546684.db2.gz WBOAMTOSMKJKPA-LBPRGKRZSA-N 0 3 239.319 0.534 20 0 BCADHN COC[C@H](O)CN1CC(C2CCOCC2)C1 ZINC000669665629 487548315 /nfs/dbraw/zinc/54/83/15/487548315.db2.gz FMMFYVGQEHEWCM-GFCCVEGCSA-N 0 3 229.320 0.352 20 0 BCADHN CCOC[C@H](O)CN1CC(C2CCOCC2)C1 ZINC000669665779 487548523 /nfs/dbraw/zinc/54/85/23/487548523.db2.gz XMYZEDCREZFZJW-CYBMUJFWSA-N 0 3 243.347 0.742 20 0 BCADHN C[C@@H](C(=O)NCCN1CCSCC1)N(C)C ZINC000674289783 487551854 /nfs/dbraw/zinc/55/18/54/487551854.db2.gz RVKMNVWUTTTWGY-JTQLQIEISA-N 0 3 245.392 0.102 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000662500229 490081431 /nfs/dbraw/zinc/08/14/31/490081431.db2.gz NLHRGLSNMBLMCW-KXUCPTDWSA-N 0 3 214.309 0.526 20 0 BCADHN COc1ccc(NC(=O)NCCN(C)C)nc1 ZINC000680237116 487552158 /nfs/dbraw/zinc/55/21/58/487552158.db2.gz FJKHMRQVJWYPBR-UHFFFAOYSA-N 0 3 238.291 0.773 20 0 BCADHN NC(=O)CC1CCN([C@@H]2CCCOC2)CC1 ZINC000674301483 487552705 /nfs/dbraw/zinc/55/27/05/487552705.db2.gz SFLJFSDEWTXYPC-LLVKDONJSA-N 0 3 226.320 0.753 20 0 BCADHN COCCN1CCN([C@H]2CCCOC2)C[C@H]1C ZINC000674300841 487552920 /nfs/dbraw/zinc/55/29/20/487552920.db2.gz HMEVICPLXXSPSN-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN CN(C)C(=O)C1CCN([C@H]2CCCOC2)CC1 ZINC000674299825 487553374 /nfs/dbraw/zinc/55/33/74/487553374.db2.gz HYASCYPZSCGNDO-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN O=C(Nc1nc[n-]n1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653346478 487554022 /nfs/dbraw/zinc/55/40/22/487554022.db2.gz WYUKDVDONYZUIJ-JGVFFNPUSA-N 0 3 221.264 0.274 20 0 BCADHN Cn1cc(-n2cc(C(C)(C)N)nn2)cn1 ZINC000086782047 487554408 /nfs/dbraw/zinc/55/44/08/487554408.db2.gz KYTLTVYPQIAQKL-UHFFFAOYSA-N 0 3 206.253 0.195 20 0 BCADHN C[C@@H](O)CN1CCN([C@H]2CCCOC2)CC1 ZINC000674301804 487554651 /nfs/dbraw/zinc/55/46/51/487554651.db2.gz GOEIJCRHHHAIGS-NEPJUHHUSA-N 0 3 228.336 0.164 20 0 BCADHN CN(C)C[C@H]1CN([C@H]2CCCOC2)CCO1 ZINC000674301651 487554728 /nfs/dbraw/zinc/55/47/28/487554728.db2.gz FHVUMBRVPLAJNQ-RYUDHWBXSA-N 0 3 228.336 0.428 20 0 BCADHN Cc1ccc(NCC2=CCN(C)CC2)nn1 ZINC000392821785 487555402 /nfs/dbraw/zinc/55/54/02/487555402.db2.gz URCLDLJJVDEPJG-UHFFFAOYSA-N 0 3 218.304 0.881 20 0 BCADHN CN(C[C@@H]1CN(C)CCO1)[C@@H]1CCCOC1 ZINC000674303179 487556458 /nfs/dbraw/zinc/55/64/58/487556458.db2.gz UPWXSGQDEULTAK-NEPJUHHUSA-N 0 3 228.336 0.428 20 0 BCADHN C[C@@H](C(=O)NCCN1CCC(C)CC1)N(C)C ZINC000674245533 487531238 /nfs/dbraw/zinc/53/12/38/487531238.db2.gz OZFPFHBRRHREML-LBPRGKRZSA-N 0 3 241.379 0.785 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](CO)CC1CC1)N(C)C ZINC000678389003 488136358 /nfs/dbraw/zinc/13/63/58/488136358.db2.gz QVGXIMMIIHBOMS-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](CCO)N(C)C(=O)NCCN(C)C1CC1 ZINC000650868621 487471349 /nfs/dbraw/zinc/47/13/49/487471349.db2.gz KYUCGJXBNVKOBH-SNVBAGLBSA-N 0 3 243.351 0.493 20 0 BCADHN COC[C@@H](C)N1CCN(C(C)(C)CO)CC1 ZINC000673896771 487472156 /nfs/dbraw/zinc/47/21/56/487472156.db2.gz XQVNHCSXKKOVKW-LLVKDONJSA-N 0 3 230.352 0.410 20 0 BCADHN C[C@H]1CN(C(=O)CN2CCNCC2)C[C@H]1C ZINC000086014070 487472457 /nfs/dbraw/zinc/47/24/57/487472457.db2.gz MPRBNUTZNVPMQZ-PHIMTYICSA-N 0 3 225.336 0.006 20 0 BCADHN C[C@@H]1CN(C(=O)CN2CCNCC2)C[C@H]1C ZINC000086014075 487472833 /nfs/dbraw/zinc/47/28/33/487472833.db2.gz MPRBNUTZNVPMQZ-GHMZBOCLSA-N 0 3 225.336 0.006 20 0 BCADHN Nc1cccc(CN2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000405234546 487476574 /nfs/dbraw/zinc/47/65/74/487476574.db2.gz CWRAQKXADCECKA-UONOGXRCSA-N 0 3 247.342 0.520 20 0 BCADHN CCCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405428050 487484078 /nfs/dbraw/zinc/48/40/78/487484078.db2.gz ZXRYQHOGXJNKGX-VHSXEESVSA-N 0 3 212.293 0.064 20 0 BCADHN CCC(C)(C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405270642 487480148 /nfs/dbraw/zinc/48/01/48/487480148.db2.gz OJEHSWDSDZDVJA-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN Oc1cccc(CN2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000405320266 487480980 /nfs/dbraw/zinc/48/09/80/487480980.db2.gz UHEIFVURPOZTEA-GXTWGEPZSA-N 0 3 248.326 0.643 20 0 BCADHN Cc1noc2ncnc(N3CC(N(C)C)C3)c12 ZINC000669655464 487481153 /nfs/dbraw/zinc/48/11/53/487481153.db2.gz VUXOZFUSVNLJDC-UHFFFAOYSA-N 0 3 233.275 0.676 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H](CO)C(C)C ZINC000086125215 487484924 /nfs/dbraw/zinc/48/49/24/487484924.db2.gz VHCATEMHFGCJEE-RKDXNWHRSA-N 0 3 202.298 0.103 20 0 BCADHN CC[C@H](C)N(CC)C(=O)CNCCOC ZINC000086157933 487487074 /nfs/dbraw/zinc/48/70/74/487487074.db2.gz GEFZWUWFGDDOSE-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN COCCNCC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000086158339 487487147 /nfs/dbraw/zinc/48/71/47/487487147.db2.gz UVLBQKDNSODBIF-NXEZZACHSA-N 0 3 246.376 0.575 20 0 BCADHN O=C(CCC1CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405695803 487491129 /nfs/dbraw/zinc/49/11/29/487491129.db2.gz PANIYAJWTWVLAA-NWDGAFQWSA-N 0 3 238.331 0.454 20 0 BCADHN NC1(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)CCC1 ZINC000381037302 487493631 /nfs/dbraw/zinc/49/36/31/487493631.db2.gz LSRQMVLVLZSBSR-RYUDHWBXSA-N 0 3 246.310 0.642 20 0 BCADHN CCC(CC)C(=O)N1CCN(C(=O)CN)CC1 ZINC000019677006 487496391 /nfs/dbraw/zinc/49/63/91/487496391.db2.gz OURGKTVKRBVXSJ-UHFFFAOYSA-N 0 3 241.335 0.052 20 0 BCADHN NC(=O)C1(c2ccccc2)CCN(CCO)CC1 ZINC000674006061 487497139 /nfs/dbraw/zinc/49/71/39/487497139.db2.gz NZASDEFTKAAURU-UHFFFAOYSA-N 0 3 248.326 0.498 20 0 BCADHN CCNC(=O)CN(C)C[C@H](C)COC ZINC000674046955 487504333 /nfs/dbraw/zinc/50/43/33/487504333.db2.gz FILOYKLNKSFPES-VIFPVBQESA-N 0 3 202.298 0.337 20 0 BCADHN C[C@H](CC(N)=O)NCc1ccc(CO)cc1 ZINC000220439092 487505401 /nfs/dbraw/zinc/50/54/01/487505401.db2.gz MSCXKQDVBKYOSR-SECBINFHSA-N 0 3 222.288 0.532 20 0 BCADHN CC(C)[C@H](NC[C@H](C)O)C(=O)N1CCCC1 ZINC000381356193 487505598 /nfs/dbraw/zinc/50/55/98/487505598.db2.gz CINDAOBGYVJOKY-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CCN(C[C@H]1CCOC1)[C@H]1CCN(C)C1=O ZINC000677884641 488142656 /nfs/dbraw/zinc/14/26/56/488142656.db2.gz AKITZBILFKLCPA-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN COc1cc(NC(=O)CNC2CC2)ccn1 ZINC000304544549 487510539 /nfs/dbraw/zinc/51/05/39/487510539.db2.gz JFFPZPHSNKJHPD-UHFFFAOYSA-N 0 3 221.260 0.781 20 0 BCADHN Cc1ccc(CNCCc2nnnn2C)cc1F ZINC000678499637 487514379 /nfs/dbraw/zinc/51/43/79/487514379.db2.gz TZXVCOLHDBPOHI-UHFFFAOYSA-N 0 3 249.293 0.990 20 0 BCADHN Cc1cnn(C)c1CNC[C@@H]1CCC(=O)N1 ZINC000381610392 487516415 /nfs/dbraw/zinc/51/64/15/487516415.db2.gz RZAQJBLTYVKJPL-VIFPVBQESA-N 0 3 222.292 0.097 20 0 BCADHN CNC(=O)[C@H](CC(C)C)N[C@@H](C)COC ZINC000053195230 487517476 /nfs/dbraw/zinc/51/74/76/487517476.db2.gz OFIXTDRTOYLPHF-UWVGGRQHSA-N 0 3 216.325 0.772 20 0 BCADHN CCN1CCN(Cc2cn[nH]c2)[C@@H](C)C1 ZINC000685440882 487517619 /nfs/dbraw/zinc/51/76/19/487517619.db2.gz QWPIDXKTTDUSNK-JTQLQIEISA-N 0 3 208.309 0.936 20 0 BCADHN CC(=O)Nc1cccc(CNC[C@@H](O)CO)c1 ZINC000680014152 487518001 /nfs/dbraw/zinc/51/80/01/487518001.db2.gz PPLBQZCIQYEYSY-GFCCVEGCSA-N 0 3 238.287 0.088 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000300527190 487519915 /nfs/dbraw/zinc/51/99/15/487519915.db2.gz CUPXJWXPTWTIIW-PRHODGIISA-N 0 3 241.335 0.084 20 0 BCADHN CCn1ccc(=NC(=O)[C@@H]2CC[C@@H](C3CC3)N2)[nH]1 ZINC000407302247 487524004 /nfs/dbraw/zinc/52/40/04/487524004.db2.gz MVEMWRYTSWHPTQ-QWRGUYRKSA-N 0 3 248.330 0.794 20 0 BCADHN C[C@@H](O)CNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000683417412 488160351 /nfs/dbraw/zinc/16/03/51/488160351.db2.gz UMTDKYWJVVEMTK-MWLCHTKSSA-N 0 3 241.335 0.151 20 0 BCADHN CCN1CC[C@H](N[C@@H](COC)C2CC2)C1=O ZINC000390506323 488163066 /nfs/dbraw/zinc/16/30/66/488163066.db2.gz XEPLWFRUCQEMQG-QWRGUYRKSA-N 0 3 226.320 0.622 20 0 BCADHN O=S1(=O)CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000382206893 487534812 /nfs/dbraw/zinc/53/48/12/487534812.db2.gz GESCVCIDRLBLEW-DBIOUOCHSA-N 0 3 245.344 0.473 20 0 BCADHN CCn1cc(CNC(=O)[C@H]2CCCCN2)nn1 ZINC000404495532 488163927 /nfs/dbraw/zinc/16/39/27/488163927.db2.gz PUTTWCDRTFEOAZ-SNVBAGLBSA-N 0 3 237.307 0.056 20 0 BCADHN Cc1nc(C)c(CN2CC[C@@H](CC(N)=O)C2)o1 ZINC000685585291 487559041 /nfs/dbraw/zinc/55/90/41/487559041.db2.gz KBZUYZLPUWGANA-JTQLQIEISA-N 0 3 237.303 0.989 20 0 BCADHN CC[C@@H](C(N)=O)N1CCNC[C@@](C)(F)C1 ZINC000334973370 487594269 /nfs/dbraw/zinc/59/42/69/487594269.db2.gz NUQJRLBQPCMGGF-WCBMZHEXSA-N 0 3 217.288 0.934 20 0 BCADHN O=C1C[C@H](NC2CCOCC2)C(=O)N1C1CC1 ZINC000102667433 487665950 /nfs/dbraw/zinc/66/59/50/487665950.db2.gz KOPCHWDAFDKUBR-JTQLQIEISA-N 0 3 238.287 0.045 20 0 BCADHN CSC[C@H](O)CN1CCOC[C@@H](C)C1 ZINC000372920004 487854273 /nfs/dbraw/zinc/85/42/73/487854273.db2.gz AHNGUPRIPBILNV-VHSXEESVSA-N 0 3 219.350 0.679 20 0 BCADHN CCCCCNC(=O)N1CCN(C)C[C@H]1CN ZINC000668164630 487856561 /nfs/dbraw/zinc/85/65/61/487856561.db2.gz WTCBCTDIGGUHTG-LLVKDONJSA-N 0 3 242.367 0.461 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1N[C@H](C)C(C)C ZINC000668508636 487864444 /nfs/dbraw/zinc/86/44/44/487864444.db2.gz NGHYJATXMSVDPJ-OPRDCNLKSA-N 0 3 235.349 0.433 20 0 BCADHN OC[C@@H]1CCN([C@@H]2C=CCCC2)C[C@@H]1O ZINC000676555219 487871265 /nfs/dbraw/zinc/87/12/65/487871265.db2.gz ZRMOVJXRPMIXRL-TUAOUCFPSA-N 0 3 211.305 0.770 20 0 BCADHN CCC[C@@H](C)NC(=O)NC[C@](C)(O)CN(C)C ZINC000677004657 487954665 /nfs/dbraw/zinc/95/46/65/487954665.db2.gz TWTWWZZRLAEYQG-PWSUYJOCSA-N 0 3 245.367 0.787 20 0 BCADHN Cn1ncnc1CNCC1(C)CCOCC1 ZINC000230684586 488136382 /nfs/dbraw/zinc/13/63/82/488136382.db2.gz DBWSRUFRCOLWID-UHFFFAOYSA-N 0 3 224.308 0.721 20 0 BCADHN C[C@H]1OCC[C@H]1NCc1ccc(CC(N)=O)cc1 ZINC000677854432 488140784 /nfs/dbraw/zinc/14/07/84/488140784.db2.gz SVDKQEYALGQEMQ-ZWNOBZJWSA-N 0 3 248.326 0.981 20 0 BCADHN Cn1cncc1C(=O)N1CCNCC1(C)C ZINC000236070280 488141862 /nfs/dbraw/zinc/14/18/62/488141862.db2.gz GEUVBTIUCJVWSS-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN CC(C)CCN(C)CCN1CCCS1(=O)=O ZINC000674461365 488141806 /nfs/dbraw/zinc/14/18/06/488141806.db2.gz AAMFWEDPTZPTKL-UHFFFAOYSA-N 0 3 248.392 1.000 20 0 BCADHN CCN(C[C@@H]1CCOC1)[C@@H]1CCCNC1=O ZINC000677886434 488146766 /nfs/dbraw/zinc/14/67/66/488146766.db2.gz QGHAXMGZHDPLPG-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@H](C(N)=O)N(CC)C[C@@H]1CCOC1 ZINC000677885133 488146827 /nfs/dbraw/zinc/14/68/27/488146827.db2.gz FTRWZXXSQHBWSM-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN CCN(C[C@H]1CCOC1)[C@@H]1CCCNC1=O ZINC000677886431 488148534 /nfs/dbraw/zinc/14/85/34/488148534.db2.gz QGHAXMGZHDPLPG-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]C[C@H]([NH3+])C2CC2)o1 ZINC000447244257 488153278 /nfs/dbraw/zinc/15/32/78/488153278.db2.gz COSHTDYJKRZDTB-VIFPVBQESA-N 0 3 244.316 0.604 20 0 BCADHN C[C@H]1COCC[C@@H]1NCC(=O)Nc1ccon1 ZINC000683372626 488153471 /nfs/dbraw/zinc/15/34/71/488153471.db2.gz YDOBDLYSDUFPSX-IUCAKERBSA-N 0 3 239.275 0.628 20 0 BCADHN COC[C@H](C(N)=O)N(C)C[C@@H]1CCO[C@@H](C)C1 ZINC000339355641 488153981 /nfs/dbraw/zinc/15/39/81/488153981.db2.gz FNLXGBMTOXBQCQ-HBNTYKKESA-N 0 3 244.335 0.234 20 0 BCADHN COC[C@H](C(N)=O)N(C)C[C@H]1CCO[C@H](C)C1 ZINC000339355642 488154166 /nfs/dbraw/zinc/15/41/66/488154166.db2.gz FNLXGBMTOXBQCQ-OUAUKWLOSA-N 0 3 244.335 0.234 20 0 BCADHN COC[C@@](C)(O)CN[C@@H]1CCCn2nccc21 ZINC000657878891 488159661 /nfs/dbraw/zinc/15/96/61/488159661.db2.gz OVOYSVWIHXDNDN-PWSUYJOCSA-N 0 3 239.319 0.705 20 0 BCADHN CCn1cc(CNC(=O)[C@H](N)CC(C)C)nn1 ZINC000404464000 488161245 /nfs/dbraw/zinc/16/12/45/488161245.db2.gz RCQZKQZHFUAGPU-SNVBAGLBSA-N 0 3 239.323 0.288 20 0 BCADHN CCOC[C@@H](O)CN[C@@H]1CCCn2nccc21 ZINC000657888860 488168724 /nfs/dbraw/zinc/16/87/24/488168724.db2.gz QQABSOMYLSONAS-WDEREUQCSA-N 0 3 239.319 0.705 20 0 BCADHN CNC(=O)[C@]1(C)CCN(Cc2ccc(N)nc2)C1 ZINC000230896395 488170357 /nfs/dbraw/zinc/17/03/57/488170357.db2.gz XQEWYNMWUHCLRV-CYBMUJFWSA-N 0 3 248.330 0.622 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000167463492 488170803 /nfs/dbraw/zinc/17/08/03/488170803.db2.gz DXYVBZHPARPPBC-OUAUKWLOSA-N 0 3 228.336 0.508 20 0 BCADHN C[C@@H]1COCC[C@@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000683480274 488170865 /nfs/dbraw/zinc/17/08/65/488170865.db2.gz RNPVUVOWAYOYAM-WOPDTQHZSA-N 0 3 240.347 0.869 20 0 BCADHN CN(CCN1CCCC1)C(=O)C(C)(C)C(N)=O ZINC000683478897 488172326 /nfs/dbraw/zinc/17/23/26/488172326.db2.gz BCCPFZFZQZDFTM-UHFFFAOYSA-N 0 3 241.335 0.052 20 0 BCADHN CC(C)NCC(=O)N1CCCc2n[nH]cc2C1 ZINC000404730356 488176122 /nfs/dbraw/zinc/17/61/22/488176122.db2.gz QKGXSHFCCFOGQQ-UHFFFAOYSA-N 0 3 236.319 0.683 20 0 BCADHN O=C(CNC1CC1)N1CCCc2n[nH]cc2C1 ZINC000404738692 488176237 /nfs/dbraw/zinc/17/62/37/488176237.db2.gz VMITVUGIACZEDC-UHFFFAOYSA-N 0 3 234.303 0.437 20 0 BCADHN C[C@@H](CO)CN1CCC[C@@H](N2CCCC2=O)C1 ZINC000678044420 488179437 /nfs/dbraw/zinc/17/94/37/488179437.db2.gz ARWYGMMVABBCQR-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1C[C@H](C)CO ZINC000678044423 488179836 /nfs/dbraw/zinc/17/98/36/488179836.db2.gz AWANVHFFQLOQOH-UWVGGRQHSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCc3[nH]cnc3C2)C1 ZINC000627372647 488182231 /nfs/dbraw/zinc/18/22/31/488182231.db2.gz SHXJXVQATDLHTE-SNVBAGLBSA-N 0 3 248.330 0.636 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCc3nc[nH]c3C2)C1 ZINC000627372647 488182233 /nfs/dbraw/zinc/18/22/33/488182233.db2.gz SHXJXVQATDLHTE-SNVBAGLBSA-N 0 3 248.330 0.636 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1ncc[nH]1 ZINC000668013096 488185358 /nfs/dbraw/zinc/18/53/58/488185358.db2.gz QEYNFWPYHOBDPH-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1ncc[nH]1 ZINC000668013098 488186066 /nfs/dbraw/zinc/18/60/66/488186066.db2.gz QEYNFWPYHOBDPH-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN C(CN1CCOCC1)N1CCC12CCOCC2 ZINC000683526019 488186720 /nfs/dbraw/zinc/18/67/20/488186720.db2.gz PTZLNIRZQKWVTC-UHFFFAOYSA-N 0 3 240.347 0.574 20 0 BCADHN CN(C)CCN(C)C(=O)CCN1CCCC1=O ZINC000673917253 488187088 /nfs/dbraw/zinc/18/70/88/488187088.db2.gz AGMBFWLEHJBAJO-UHFFFAOYSA-N 0 3 241.335 0.019 20 0 BCADHN CCN(C)C(=O)CN1CCC12CCOCC2 ZINC000683526379 488187108 /nfs/dbraw/zinc/18/71/08/488187108.db2.gz QBPMOCISTSINLU-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000668022672 488188623 /nfs/dbraw/zinc/18/86/23/488188623.db2.gz MUTXVPRGRLENFB-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)[C@H](O)C2CC2)C1 ZINC000668022369 488188723 /nfs/dbraw/zinc/18/87/23/488188723.db2.gz DWCKFHJTUHTQJY-GHMZBOCLSA-N 0 3 226.320 0.310 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C)c(C)nn1 ZINC000678063723 488190223 /nfs/dbraw/zinc/19/02/23/488190223.db2.gz BMCCILBXYOAQLO-UHFFFAOYSA-N 0 3 222.292 0.385 20 0 BCADHN CCC[C@H](C)NC(=O)C[C@H]1CNCCO1 ZINC000085618850 488190645 /nfs/dbraw/zinc/19/06/45/488190645.db2.gz ICMNHXNTUVMNDB-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN CNC(=O)C[C@@H](C)NCc1ccc(CO)cc1 ZINC000322588939 488192579 /nfs/dbraw/zinc/19/25/79/488192579.db2.gz FUHKDKVZCGCGGX-SNVBAGLBSA-N 0 3 236.315 0.793 20 0 BCADHN C[C@@H]1C[C@H](O)CN1Cc1cnn2c1CCC2 ZINC000668044953 488194088 /nfs/dbraw/zinc/19/40/88/488194088.db2.gz CUDAUHDSHLJIRB-KOLCDFICSA-N 0 3 221.304 0.784 20 0 BCADHN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)C(=O)N(C)C ZINC000668055503 488195724 /nfs/dbraw/zinc/19/57/24/488195724.db2.gz DAZUZTIIKRSJND-JMJZKYOTSA-N 0 3 226.320 0.620 20 0 BCADHN Cc1nnc(C(=O)NC[C@@H](C)N(C)C)s1 ZINC000680496397 488196982 /nfs/dbraw/zinc/19/69/82/488196982.db2.gz BNTKOCABTXTKHO-ZCFIWIBFSA-N 0 3 228.321 0.526 20 0 BCADHN CC[C@H](N[C@@H]1C[C@@H](OC)C12CCC2)C(N)=O ZINC000308353519 488201800 /nfs/dbraw/zinc/20/18/00/488201800.db2.gz XEVYNFWCVFSAQB-IVZWLZJFSA-N 0 3 226.320 0.798 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2cnc3n2CCC3)C1 ZINC000668097517 488203376 /nfs/dbraw/zinc/20/33/76/488203376.db2.gz LDMMHMSSQLVBQO-CYBMUJFWSA-N 0 3 248.330 0.527 20 0 BCADHN CO[C@H](C)CNC[C@](C)(O)C(F)(F)F ZINC000308492243 488205596 /nfs/dbraw/zinc/20/55/96/488205596.db2.gz AGGFLTZNQVOJBY-RQJHMYQMSA-N 0 3 215.215 0.924 20 0 BCADHN O[C@H]1CCN(Cc2ccccc2-n2cncn2)C1 ZINC000678144376 488206142 /nfs/dbraw/zinc/20/61/42/488206142.db2.gz HRJASBPFTSRYHN-LBPRGKRZSA-N 0 3 244.298 0.834 20 0 BCADHN CC(C)n1ccc(C[C@H](C)N[C@H](C)C(N)=O)n1 ZINC000683724331 488213469 /nfs/dbraw/zinc/21/34/69/488213469.db2.gz ODSDZVFRFHEGGK-VHSXEESVSA-N 0 3 238.335 0.858 20 0 BCADHN CCc1cnc(CNC(=O)[C@H](N)CC)o1 ZINC000231647127 488218447 /nfs/dbraw/zinc/21/84/47/488218447.db2.gz XHZJSJBOEKTXPY-MRVPVSSYSA-N 0 3 211.265 0.591 20 0 BCADHN CC[C@H](O)CCCNC(=O)CNC(C)C ZINC000398583139 488220630 /nfs/dbraw/zinc/22/06/30/488220630.db2.gz USYHXTKFLGIPNR-JTQLQIEISA-N 0 3 216.325 0.652 20 0 BCADHN CC(C)NCC(=O)NC[C@@H](C)C[C@@H](C)O ZINC000398644847 488221437 /nfs/dbraw/zinc/22/14/37/488221437.db2.gz WKBUWYKZIKGRAZ-VHSXEESVSA-N 0 3 216.325 0.508 20 0 BCADHN C[C@H](C1CC1)N(C)CC(=O)N1CCOCC1 ZINC000078723130 488223619 /nfs/dbraw/zinc/22/36/19/488223619.db2.gz UZAPFIUVVWJQFA-SNVBAGLBSA-N 0 3 226.320 0.576 20 0 BCADHN COCCN(C[C@@H](C)CO)[C@H]1CCOC1 ZINC000683802068 488224138 /nfs/dbraw/zinc/22/41/38/488224138.db2.gz KSQJYWMEJXBNSR-MNOVXSKESA-N 0 3 217.309 0.352 20 0 BCADHN c1n[nH]cc1CN1CCc2cn[nH]c2C1 ZINC000678276073 488225152 /nfs/dbraw/zinc/22/51/52/488225152.db2.gz UVZYCTWNNWTJPX-UHFFFAOYSA-N 0 3 203.249 0.691 20 0 BCADHN CN1CCC[C@H](NC(=O)NCCCCO)C1 ZINC000683822137 488226391 /nfs/dbraw/zinc/22/63/91/488226391.db2.gz LRPKGOBPRLPALO-JTQLQIEISA-N 0 3 229.324 0.152 20 0 BCADHN Cc1cc(CNC(=O)[C@H]2CCCN2C2CC2)n[nH]1 ZINC000683850280 488232214 /nfs/dbraw/zinc/23/22/14/488232214.db2.gz DGVJDCDGCHNBTR-GFCCVEGCSA-N 0 3 248.330 0.961 20 0 BCADHN O[C@@H]1C[C@H](O)CN(Cc2ccc3c[nH]nc3c2)C1 ZINC000678297868 488238440 /nfs/dbraw/zinc/23/84/40/488238440.db2.gz NDKOQWUBTVRJLH-TXEJJXNPSA-N 0 3 247.298 0.490 20 0 BCADHN C[C@@H]1[C@H](C)N(c2ncnc3n[nH]cc32)CCN1C ZINC000678408741 488252431 /nfs/dbraw/zinc/25/24/31/488252431.db2.gz RVJLPKZBLKFZRS-BDAKNGLRSA-N 0 3 246.318 0.882 20 0 BCADHN C[C@H]1C[C@H](NC(=O)CCCCO)CN1C1CC1 ZINC000678478056 488256858 /nfs/dbraw/zinc/25/68/58/488256858.db2.gz RLXRBMYUNNOIRL-QWRGUYRKSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C1(C)CCOCC1 ZINC000672516482 488257830 /nfs/dbraw/zinc/25/78/30/488257830.db2.gz RLOVLTOPUXZSSZ-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](CO)CN(C)CCc1cnccn1 ZINC000678466672 488257803 /nfs/dbraw/zinc/25/78/03/488257803.db2.gz DGLYJFHMVIACTD-JTQLQIEISA-N 0 3 209.293 0.579 20 0 BCADHN CCCn1cc(C(=O)N[C@@H](C)CN(C)C)nn1 ZINC000672517053 488258226 /nfs/dbraw/zinc/25/82/26/488258226.db2.gz KATGCRMVAQZTCV-VIFPVBQESA-N 0 3 239.323 0.368 20 0 BCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CCCCO ZINC000678475738 488259053 /nfs/dbraw/zinc/25/90/53/488259053.db2.gz GLPHFHQSKQRTAD-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@H](CF)NC(=O)N[C@H]1CCCN(C)C1 ZINC000672753926 488265188 /nfs/dbraw/zinc/26/51/88/488265188.db2.gz BJJHQJHDBCXPRJ-BDAKNGLRSA-N 0 3 217.288 0.738 20 0 BCADHN CN1CCC[C@@H](NC(=O)CCc2ncc[nH]2)C1 ZINC000672770098 488265857 /nfs/dbraw/zinc/26/58/57/488265857.db2.gz VRENZBJXNJBLCZ-SNVBAGLBSA-N 0 3 236.319 0.553 20 0 BCADHN CCn1cc([C@@H](C)NCCc2nnnn2C)cn1 ZINC000678547184 488266376 /nfs/dbraw/zinc/26/63/76/488266376.db2.gz CSDKTYBAUOVGQI-SECBINFHSA-N 0 3 249.322 0.320 20 0 BCADHN Cn1ccc(CN2C[C@H](O)C(C)(C)C2)cc1=O ZINC000684108193 488267488 /nfs/dbraw/zinc/26/74/88/488267488.db2.gz QYMYISZSYYPXPG-NSHDSACASA-N 0 3 236.315 0.588 20 0 BCADHN CN(C[C@@H](O)C1CC1)[C@@H]1CCCN(C)C1=O ZINC000679319791 488334624 /nfs/dbraw/zinc/33/46/24/488334624.db2.gz KZIRELCNSGTXAB-GHMZBOCLSA-N 0 3 226.320 0.310 20 0 BCADHN COCC[C@H](C)N1CCN([C@@H]2CCOC2)CC1 ZINC000678625704 488273898 /nfs/dbraw/zinc/27/38/98/488273898.db2.gz BQWBCWDYHLMXTR-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN CC(C)(O)CCN1CCN([C@H]2CCOC2)CC1 ZINC000678629368 488274366 /nfs/dbraw/zinc/27/43/66/488274366.db2.gz NYGLPUFVFPRVNX-LBPRGKRZSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@H](CO)CN1CCN(Cc2cccnc2)CC1 ZINC000678630680 488274774 /nfs/dbraw/zinc/27/47/74/488274774.db2.gz VZWSOATXIZQUFF-ZDUSSCGKSA-N 0 3 249.358 0.828 20 0 BCADHN C[C@@H](CO)CN1CCN([C@@H]2CCOC2)CC1 ZINC000678627437 488274845 /nfs/dbraw/zinc/27/48/45/488274845.db2.gz SKBONXYEXKNRDH-VXGBXAGGSA-N 0 3 228.336 0.021 20 0 BCADHN COCCN(CCN(C)C)C(=O)N[C@@H]1C[C@H]1C ZINC000673080132 488275132 /nfs/dbraw/zinc/27/51/32/488275132.db2.gz OSVIGSSWMZBFBD-GHMZBOCLSA-N 0 3 243.351 0.614 20 0 BCADHN Cc1c[nH]nc1C(=O)N(CCN(C)C)C1CC1 ZINC000673084037 488276208 /nfs/dbraw/zinc/27/62/08/488276208.db2.gz ZQMWDZWHLOKOPF-UHFFFAOYSA-N 0 3 236.319 0.884 20 0 BCADHN CC(=O)N1CCN(C[C@H](C)CO)C(C)(C)C1 ZINC000678801485 488284854 /nfs/dbraw/zinc/28/48/54/488284854.db2.gz UWLPPRGKGCNCKI-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN COCCCOCC(=O)N[C@H]1CCCN(C)C1 ZINC000678835370 488289502 /nfs/dbraw/zinc/28/95/02/488289502.db2.gz SOPIJTONKUTMNF-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CC(C)CC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673518157 488292316 /nfs/dbraw/zinc/29/23/16/488292316.db2.gz SFGRKXRPCARPGB-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN O=C(N[C@H](CO)CN1CCCC1)C1CCC1 ZINC000673532511 488295002 /nfs/dbraw/zinc/29/50/02/488295002.db2.gz VMXHPBABTGYPOF-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN CCC(C)(C)C(=O)N[C@H](CO)CN1CCCC1 ZINC000673532186 488295020 /nfs/dbraw/zinc/29/50/20/488295020.db2.gz SLQLOHHCAZMXRB-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](C(=O)NCc1ncccc1O)N(C)C ZINC000684349201 488297855 /nfs/dbraw/zinc/29/78/55/488297855.db2.gz BWLHOGBCOYDCLP-QMMMGPOBSA-N 0 3 223.276 0.354 20 0 BCADHN C[C@@H](C(=O)NCc1ncccc1[O-])[NH+](C)C ZINC000684349201 488297856 /nfs/dbraw/zinc/29/78/56/488297856.db2.gz BWLHOGBCOYDCLP-QMMMGPOBSA-N 0 3 223.276 0.354 20 0 BCADHN C[C@@H](NC(=O)C1CCN(C)CC1)C(C)(C)O ZINC000673687139 488301476 /nfs/dbraw/zinc/30/14/76/488301476.db2.gz MTKKUTZRSKKYRD-SECBINFHSA-N 0 3 228.336 0.604 20 0 BCADHN O=C(Cn1ccnc1)N[C@@H]1CCN(CC2CC2)C1 ZINC000673667392 488302312 /nfs/dbraw/zinc/30/23/12/488302312.db2.gz XAUUUJYTTBGFES-GFCCVEGCSA-N 0 3 248.330 0.484 20 0 BCADHN O=C(Cc1ccon1)N[C@@H]1CCN(CC2CC2)C1 ZINC000673666750 488302426 /nfs/dbraw/zinc/30/24/26/488302426.db2.gz HNDGJTQEINKLMD-GFCCVEGCSA-N 0 3 249.314 0.818 20 0 BCADHN CCN(C)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000673868025 488310114 /nfs/dbraw/zinc/31/01/14/488310114.db2.gz VRQYRLJSKNFRCC-UHFFFAOYSA-N 0 3 239.323 0.928 20 0 BCADHN CC(C)(CO)N1CCN(C[C@H]2CCOC2)CC1 ZINC000673894839 488311710 /nfs/dbraw/zinc/31/17/10/488311710.db2.gz HHLOQSLDTPFBLF-GFCCVEGCSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@H]1NC(=O)N([C@@H]2CCN(CC3CC3)C2)C1=O ZINC000679138976 488312558 /nfs/dbraw/zinc/31/25/58/488312558.db2.gz IQAPHCDVCTYGBC-PSASIEDQSA-N 0 3 237.303 0.411 20 0 BCADHN C[C@@H]1NC(=O)N([C@H]2CCN(CC3CC3)C2)C1=O ZINC000679138979 488312805 /nfs/dbraw/zinc/31/28/05/488312805.db2.gz IQAPHCDVCTYGBC-WPRPVWTQSA-N 0 3 237.303 0.411 20 0 BCADHN C[C@@H](NC(=O)NCCN(C)C)[C@H]1CCCCO1 ZINC000679168036 488314062 /nfs/dbraw/zinc/31/40/62/488314062.db2.gz ZUXVAUKEABOPJC-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)NCCOCCN(C)C ZINC000679169704 488314433 /nfs/dbraw/zinc/31/44/33/488314433.db2.gz WRCNFGNFDJNIMT-ZJUUUORDSA-N 0 3 214.309 0.337 20 0 BCADHN CN(C)CCOCCNC(=O)CCC(F)F ZINC000684473717 488318778 /nfs/dbraw/zinc/31/87/78/488318778.db2.gz UVEYZCLPUBMBTN-UHFFFAOYSA-N 0 3 238.278 0.726 20 0 BCADHN C[C@](O)(CO)CNCc1cccc2nccn21 ZINC000684536519 488326821 /nfs/dbraw/zinc/32/68/21/488326821.db2.gz IWBHFDKRZBDPQT-GFCCVEGCSA-N 0 3 235.287 0.167 20 0 BCADHN Cc1ccc2ncc(CNC[C@](C)(O)CO)n2c1 ZINC000684537890 488326943 /nfs/dbraw/zinc/32/69/43/488326943.db2.gz GBNQGROFUHBBRE-ZDUSSCGKSA-N 0 3 249.314 0.476 20 0 BCADHN CN(C[C@H](O)C1CC1)[C@@H]1CCCN(C)C1=O ZINC000679319792 488334375 /nfs/dbraw/zinc/33/43/75/488334375.db2.gz KZIRELCNSGTXAB-MNOVXSKESA-N 0 3 226.320 0.310 20 0 BCADHN C[C@H](CO)CN1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000684630257 488336192 /nfs/dbraw/zinc/33/61/92/488336192.db2.gz GPZTZCKVMDMMAD-AVGNSLFASA-N 0 3 243.347 0.885 20 0 BCADHN CC(C(=O)N1CC=CCC1)S(C)(=O)=O ZINC000679327420 488339404 /nfs/dbraw/zinc/33/94/04/488339404.db2.gz MNQUZWJGEPIRBJ-QMMMGPOBSA-N 0 3 217.290 0.208 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NCc1ncnn1C ZINC000679350677 488342829 /nfs/dbraw/zinc/34/28/29/488342829.db2.gz GDTJTLQQLZPLLQ-GXSJLCMTSA-N 0 3 235.335 0.387 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NCc1ncnn1C ZINC000679350684 488342906 /nfs/dbraw/zinc/34/29/06/488342906.db2.gz GDTJTLQQLZPLLQ-ONGXEEELSA-N 0 3 235.335 0.387 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NCc1ncnn1C ZINC000679350682 488342977 /nfs/dbraw/zinc/34/29/77/488342977.db2.gz GDTJTLQQLZPLLQ-KOLCDFICSA-N 0 3 235.335 0.387 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)NC1(CCO)CCN(C)CC1 ZINC000679401606 488350777 /nfs/dbraw/zinc/35/07/77/488350777.db2.gz YWNQKLYEIRSLBL-MNOVXSKESA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H](NC(=O)c1ccn(C)n1)C1=CCN(C)CC1 ZINC000679708745 488365013 /nfs/dbraw/zinc/36/50/13/488365013.db2.gz XPPNWEVQMSNOLT-SNVBAGLBSA-N 0 3 248.330 0.800 20 0 BCADHN C[C@@H](NCc1cncn1C)[C@@H]1CN(C)CCO1 ZINC000129283681 490053331 /nfs/dbraw/zinc/05/33/31/490053331.db2.gz HGDFOFKQXQHACL-PWSUYJOCSA-N 0 3 238.335 0.229 20 0 BCADHN C[C@H](CO)CN1CCN(c2ccccn2)CC1 ZINC000120597613 490065102 /nfs/dbraw/zinc/06/51/02/490065102.db2.gz WYVAVEQFGALYAD-LBPRGKRZSA-N 0 3 235.331 0.832 20 0 BCADHN CNC(=O)[C@H](CC(C)C)N[C@@H]1CCO[C@@H]1C ZINC000120651031 490066355 /nfs/dbraw/zinc/06/63/55/490066355.db2.gz CTEFEJATCZEWHO-MXWKQRLJSA-N 0 3 228.336 0.914 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2NC[C@@H]1CCC(=O)N1 ZINC000079927689 490128949 /nfs/dbraw/zinc/12/89/49/490128949.db2.gz ICTXGMGRWGWUQM-ONGXEEELSA-N 0 3 248.330 0.666 20 0 BCADHN C[C@H]1N(C[C@@H]2CNC(=O)C2)CCOC1(C)C ZINC000660006458 490131768 /nfs/dbraw/zinc/13/17/68/490131768.db2.gz NSLOPPAWSGYOMR-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@H](C)N1CCC(CO)(OC)CC1 ZINC000401749409 490133252 /nfs/dbraw/zinc/13/32/52/490133252.db2.gz MKKXMXJIJODCCV-JTQLQIEISA-N 0 3 217.309 0.495 20 0 BCADHN CC(C)[C@](C)(O)CN1CCO[C@H](CN(C)C)C1 ZINC000185005445 490154413 /nfs/dbraw/zinc/15/44/13/490154413.db2.gz WXHWIVCTRUXBSA-CHWSQXEVSA-N 0 3 244.379 0.656 20 0 BCADHN CN1CCN(C(=O)Nc2ccccc2)[C@H](CN)C1 ZINC000122663639 490159436 /nfs/dbraw/zinc/15/94/36/490159436.db2.gz VWSRBULBGXPEAT-GFCCVEGCSA-N 0 3 248.330 0.793 20 0 BCADHN COCCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC000069530343 490169274 /nfs/dbraw/zinc/16/92/74/490169274.db2.gz CIRQEBXDGVPOLL-GRYCIOLGSA-N 0 3 240.347 0.869 20 0 BCADHN O=C1NCC[C@@H]1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000668425960 490174844 /nfs/dbraw/zinc/17/48/44/490174844.db2.gz CTWXXQKVGKMANS-GUBZILKMSA-N 0 3 210.277 0.032 20 0 BCADHN CC[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1ccn(C)n1 ZINC000652259895 490176793 /nfs/dbraw/zinc/17/67/93/490176793.db2.gz YXMHKHLXEQUBCK-KXUCPTDWSA-N 0 3 236.319 0.725 20 0 BCADHN CCNC(=O)CN[C@H]1CCO[C@@H](CC)C1 ZINC000069861730 490190021 /nfs/dbraw/zinc/19/00/21/490190021.db2.gz DBMFJQIOZXYMJB-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000054140411 490196600 /nfs/dbraw/zinc/19/66/00/490196600.db2.gz WBTVHKVCWKBKHL-ZETCQYMHSA-N 0 3 247.295 0.094 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1C(=O)[C@H](C)N(C)C ZINC000078747792 490224711 /nfs/dbraw/zinc/22/47/11/490224711.db2.gz VDBCWYAESJDGDW-NWDGAFQWSA-N 0 3 241.379 0.735 20 0 BCADHN NC(C(=O)N[C@@H]1C[C@H]2C[C@H]2C1)C(F)(F)F ZINC000424210999 490225680 /nfs/dbraw/zinc/22/56/80/490225680.db2.gz WUBZHJVJVGJKMZ-XZBKPIIZSA-N 0 3 222.210 0.791 20 0 BCADHN C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)N(C)C ZINC000078757518 490228597 /nfs/dbraw/zinc/22/85/97/490228597.db2.gz FWNDDSNFALDPSY-TUAOUCFPSA-N 0 3 239.363 0.632 20 0 BCADHN CC1(C)CCCN[C@H]1C(=O)NCC1(CO)CC1 ZINC000232930028 490248449 /nfs/dbraw/zinc/24/84/49/490248449.db2.gz RDOOKJWHSLXRNN-JTQLQIEISA-N 0 3 240.347 0.653 20 0 BCADHN Cn1nnc2c1CC[C@@H](NCc1cc[nH]n1)C2 ZINC000655843079 490260830 /nfs/dbraw/zinc/26/08/30/490260830.db2.gz RFSUINHYIHQIIM-MRVPVSSYSA-N 0 3 232.291 0.185 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)[C@H](N)CC(F)F ZINC000336712844 490270814 /nfs/dbraw/zinc/27/08/14/490270814.db2.gz VEAXTUXHALESDY-RNFRBKRXSA-N 0 3 224.251 0.198 20 0 BCADHN CCc1nn(C)cc1CNCCn1cccn1 ZINC000124005723 490272040 /nfs/dbraw/zinc/27/20/40/490272040.db2.gz VVNAYFHDEAXXKN-UHFFFAOYSA-N 0 3 233.319 0.969 20 0 BCADHN CO[C@@H]1CN(Cc2ccn(C)c2)C[C@@H]1OC ZINC000277345181 490293559 /nfs/dbraw/zinc/29/35/59/490293559.db2.gz VGGZFLSCJBCAGF-TXEJJXNPSA-N 0 3 224.304 0.871 20 0 BCADHN CC(C)(C)OC1CC(NC2(C(N)=O)CC2)C1 ZINC000381137873 490303577 /nfs/dbraw/zinc/30/35/77/490303577.db2.gz MBXGFSYVPZPNKG-UHFFFAOYSA-N 0 3 226.320 0.940 20 0 BCADHN COc1ccc(F)cc1S(=O)(=O)[N-]CC[NH3+] ZINC000036171807 490329731 /nfs/dbraw/zinc/32/97/31/490329731.db2.gz NJGDBKGAULCVAP-UHFFFAOYSA-N 0 3 248.279 0.071 20 0 BCADHN Cc1nnc([N-]C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)n1C ZINC000653160046 490338010 /nfs/dbraw/zinc/33/80/10/490338010.db2.gz WKZPWZOJZZRSHB-UWVGGRQHSA-N 0 3 249.318 0.593 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC1CC(C)(C)C1 ZINC000668505661 490340540 /nfs/dbraw/zinc/34/05/40/490340540.db2.gz CDHVGBIYZBAVDT-VHSXEESVSA-N 0 3 247.360 0.577 20 0 BCADHN CC[C@@H](N)c1cn([C@@H](CC)C(N)=O)nn1 ZINC000229951358 490370093 /nfs/dbraw/zinc/37/00/93/490370093.db2.gz UAPRBOGCYRAZBO-SVRRBLITSA-N 0 3 211.269 0.124 20 0 BCADHN O=C1N[C@H]2CN(C[C@H]3CCCO3)CC[C@@H]2CO1 ZINC000366914909 490388973 /nfs/dbraw/zinc/38/89/73/490388973.db2.gz QNAMBPDMQBHKRY-MXWKQRLJSA-N 0 3 240.303 0.596 20 0 BCADHN CC[C@H](COC)N[C@H]1CS(=O)(=O)C[C@@H]1C ZINC000348154304 490393462 /nfs/dbraw/zinc/39/34/62/490393462.db2.gz AOQFELMBZPIPPN-AEJSXWLSSA-N 0 3 235.349 0.434 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1Cc2cncn2C1 ZINC000623267651 490415645 /nfs/dbraw/zinc/41/56/45/490415645.db2.gz XGKDEPUQXGTAAH-JTQLQIEISA-N 0 3 236.319 0.266 20 0 BCADHN C[C@@H](O)CCN(C)CCCCS(C)(=O)=O ZINC000305074143 490427713 /nfs/dbraw/zinc/42/77/13/490427713.db2.gz KKVNOEOHKYQBAG-SNVBAGLBSA-N 0 3 237.365 0.514 20 0 BCADHN COCCOCCN1CCC(NC(C)=O)CC1 ZINC000079406532 490431186 /nfs/dbraw/zinc/43/11/86/490431186.db2.gz PDSFLNDESYULLE-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN Cc1ccoc1CNC[C@@H]1CCC(=O)N1 ZINC000126901163 490524893 /nfs/dbraw/zinc/52/48/93/490524893.db2.gz FUQRGOVRDJGWBU-VIFPVBQESA-N 0 3 208.261 0.956 20 0 BCADHN C[C@@H](NCc1ccc(-n2cncn2)cc1)C(N)=O ZINC000075734480 490541002 /nfs/dbraw/zinc/54/10/02/490541002.db2.gz AJIYSHHWFVNQRU-SECBINFHSA-N 0 3 245.286 0.231 20 0 BCADHN CC[C@H]1CN(CCn2ccccc2=O)C[C@@H]1O ZINC000400302488 490555731 /nfs/dbraw/zinc/55/57/31/490555731.db2.gz VMBMLYLBEGYAND-RYUDHWBXSA-N 0 3 236.315 0.551 20 0 BCADHN CCCNC(=O)CN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000128513132 490580772 /nfs/dbraw/zinc/58/07/72/490580772.db2.gz SMJHJJAZPDUKAI-GHMZBOCLSA-N 0 3 239.363 0.727 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000128569110 490582166 /nfs/dbraw/zinc/58/21/66/490582166.db2.gz PBMZTTXBIUARSI-WDEREUQCSA-N 0 3 239.363 0.726 20 0 BCADHN COCCN1CCC(CO)(OC)CC1 ZINC000401750122 490585577 /nfs/dbraw/zinc/58/55/77/490585577.db2.gz MYRVPJPZXFXXBA-UHFFFAOYSA-N 0 3 203.282 0.106 20 0 BCADHN CN(C(=O)CN1CCNCC1)C(C)(C)C ZINC000077305951 490591094 /nfs/dbraw/zinc/59/10/94/490591094.db2.gz UUZOYPGNPLUGRK-UHFFFAOYSA-N 0 3 213.325 0.149 20 0 BCADHN CCCCNC(=O)N(C)CCN(C)C ZINC000128816551 490591828 /nfs/dbraw/zinc/59/18/28/490591828.db2.gz QVVPGROSKOFROB-UHFFFAOYSA-N 0 3 201.314 0.990 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)NCCC1CC1 ZINC000129028900 490596985 /nfs/dbraw/zinc/59/69/85/490596985.db2.gz KDGSJPSXMPBLRF-LBPRGKRZSA-N 0 3 243.351 0.398 20 0 BCADHN C[C@H](NCc1cccn1C)[C@H]1CN(C)CCO1 ZINC000129163583 490601735 /nfs/dbraw/zinc/60/17/35/490601735.db2.gz PRVHUTVJXVEVDU-WCQYABFASA-N 0 3 237.347 0.834 20 0 BCADHN O=S1(=O)CCC[C@H]1CNC1CSC1 ZINC000306170106 490630181 /nfs/dbraw/zinc/63/01/81/490630181.db2.gz KNFQADHRCSHCLZ-QMMMGPOBSA-N 0 3 221.347 0.269 20 0 BCADHN NCC(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000655494944 491052818 /nfs/dbraw/zinc/05/28/18/491052818.db2.gz IRROUZLZMAXRQE-JTQLQIEISA-N 0 3 212.293 0.505 20 0 BCADHN CCNC(=O)[C@@H](C)NC1CC(CC(=O)OC)C1 ZINC000424266123 491075519 /nfs/dbraw/zinc/07/55/19/491075519.db2.gz WJJPSHICQYGPMP-XNWIYYODSA-N 0 3 242.319 0.442 20 0 BCADHN CNCC(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000659362847 491104355 /nfs/dbraw/zinc/10/43/55/491104355.db2.gz XVVCOHVNWAOKEF-BDAKNGLRSA-N 0 3 200.282 0.280 20 0 BCADHN COCCN(C)CCCNC(=O)[C@@H]1C[C@H]1C ZINC000041951045 491055453 /nfs/dbraw/zinc/05/54/53/491055453.db2.gz HJBDSNHTRKKAIN-GHMZBOCLSA-N 0 3 228.336 0.727 20 0 BCADHN CNC(=O)CN[C@@H](CC(=O)OC(C)C)C(C)C ZINC000594043509 491075757 /nfs/dbraw/zinc/07/57/57/491075757.db2.gz LYAKDHNLDORZRO-JTQLQIEISA-N 0 3 244.335 0.688 20 0 BCADHN O=C(NCc1cn[nH]n1)c1ccc2cncn2c1 ZINC000670802091 491056742 /nfs/dbraw/zinc/05/67/42/491056742.db2.gz ZYVZBNVWXVEZDZ-UHFFFAOYSA-N 0 3 242.242 0.382 20 0 BCADHN O=C(NCc1c[nH]nn1)c1ccc2cncn2c1 ZINC000670802091 491056743 /nfs/dbraw/zinc/05/67/43/491056743.db2.gz ZYVZBNVWXVEZDZ-UHFFFAOYSA-N 0 3 242.242 0.382 20 0 BCADHN NC(=O)[C@@H]1CCN(Cc2ccc(O)cc2)C1 ZINC000227540892 491063096 /nfs/dbraw/zinc/06/30/96/491063096.db2.gz SEYYSPAJLONDRC-SNVBAGLBSA-N 0 3 220.272 0.699 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085631655 491050478 /nfs/dbraw/zinc/05/04/78/491050478.db2.gz NUXIROQLVMMODS-NAKRPEOUSA-N 0 3 240.347 0.914 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085631651 491050490 /nfs/dbraw/zinc/05/04/90/491050490.db2.gz NUXIROQLVMMODS-MMWGEVLESA-N 0 3 240.347 0.914 20 0 BCADHN Cc1cc(CNC(=O)/C=C/CN(C)C)no1 ZINC000491641517 491079844 /nfs/dbraw/zinc/07/98/44/491079844.db2.gz KMADFXYXHAHYIJ-SNAWJCMRSA-N 0 3 223.276 0.717 20 0 BCADHN C[C@@H](CN(C)C)Nc1ncnc2c1OCCN2 ZINC000665719408 491087742 /nfs/dbraw/zinc/08/77/42/491087742.db2.gz WBGLWROPSPAIPT-QMMMGPOBSA-N 0 3 237.307 0.643 20 0 BCADHN Cn1cc(CC(=O)N[C@H]2CCCN(C)C2)cn1 ZINC000624635873 491088179 /nfs/dbraw/zinc/08/81/79/491088179.db2.gz OZQRIDUNDHPYIZ-NSHDSACASA-N 0 3 236.319 0.173 20 0 BCADHN CNS(=O)(=O)CCN1CCC[C@H]2CCC[C@H]21 ZINC000621260103 491093307 /nfs/dbraw/zinc/09/33/07/491093307.db2.gz SVALDPHDAKHSRF-GHMZBOCLSA-N 0 3 246.376 0.800 20 0 BCADHN CNS(=O)(=O)CCN1CCC[C@@H]2CCC[C@H]21 ZINC000621260106 491093437 /nfs/dbraw/zinc/09/34/37/491093437.db2.gz SVALDPHDAKHSRF-WDEREUQCSA-N 0 3 246.376 0.800 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)NC[C@@](C)(O)CN(C)C ZINC000228751754 491102620 /nfs/dbraw/zinc/10/26/20/491102620.db2.gz TXQFITLATVITGH-FXPVBKGRSA-N 0 3 214.309 0.071 20 0 BCADHN CC[C@H](CO)N1CCN([C@@H](C)CCOC)CC1 ZINC000088536399 491104723 /nfs/dbraw/zinc/10/47/23/491104723.db2.gz CIADXXJFVCCHTF-QWHCGFSZSA-N 0 3 244.379 0.800 20 0 BCADHN O[C@@H]1CN(C[C@@H]2CCC3(CCCC3)O2)C[C@@H]1O ZINC000229394997 491111760 /nfs/dbraw/zinc/11/17/60/491111760.db2.gz VONHRIJWIXNWIZ-SDDRHHMPSA-N 0 3 241.331 0.516 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC1(O)CCCC1 ZINC000083464222 491112588 /nfs/dbraw/zinc/11/25/88/491112588.db2.gz HSFOQGHMGIZFBG-VIFPVBQESA-N 0 3 235.349 0.314 20 0 BCADHN CCO[C@@H]1CCC[C@H]1N[C@@H](CC)C(N)=O ZINC000452025935 491122905 /nfs/dbraw/zinc/12/29/05/491122905.db2.gz ULHMWLJRYMHFOT-IVZWLZJFSA-N 0 3 214.309 0.798 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1CCc1ccnn1C ZINC000399235787 491123330 /nfs/dbraw/zinc/12/33/30/491123330.db2.gz GQVJBIAKNJAFNL-PWSUYJOCSA-N 0 3 223.320 0.808 20 0 BCADHN CC(C)NCC(=O)N[C@@H](CCO)C(C)C ZINC000231081359 491123484 /nfs/dbraw/zinc/12/34/84/491123484.db2.gz OVIJBNOFFYWEBC-JTQLQIEISA-N 0 3 216.325 0.508 20 0 BCADHN CC(C)(C)n1cc(CNC[C@@](C)(O)CO)cn1 ZINC000090285698 491124348 /nfs/dbraw/zinc/12/43/48/491124348.db2.gz FCJFUCDOVUNKMB-GFCCVEGCSA-N 0 3 241.335 0.471 20 0 BCADHN COCc1ccc(CNC[C@@](C)(O)CO)cc1 ZINC000090286171 491124354 /nfs/dbraw/zinc/12/43/54/491124354.db2.gz MBTRCSHGXBVCQD-CYBMUJFWSA-N 0 3 239.315 0.666 20 0 BCADHN CN(Cc1cccc(C(N)=O)c1)CC1CN(C)C1 ZINC000668538684 491127228 /nfs/dbraw/zinc/12/72/28/491127228.db2.gz AARADVAQPLXDEJ-UHFFFAOYSA-N 0 3 247.342 0.779 20 0 BCADHN COc1ccc(C2CCN(C(=O)CN)CC2)nc1 ZINC000653177694 491128055 /nfs/dbraw/zinc/12/80/55/491128055.db2.gz CEZQVAUAVDOALW-UHFFFAOYSA-N 0 3 249.314 0.755 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2cccnn2)C1 ZINC000626059715 491129052 /nfs/dbraw/zinc/12/90/52/491129052.db2.gz BICMGOQWFKDWMG-MWLCHTKSSA-N 0 3 234.303 0.547 20 0 BCADHN CC(C)(CC(N)=O)NCCn1ccccc1=O ZINC000230650201 491130422 /nfs/dbraw/zinc/13/04/22/491130422.db2.gz UMQZHWZPFKQSHA-UHFFFAOYSA-N 0 3 237.303 0.092 20 0 BCADHN COCC[C@H](C)N1CCN(CCO)[C@@H](C)C1 ZINC000426469493 491131541 /nfs/dbraw/zinc/13/15/41/491131541.db2.gz QCWLWQGGVRZPEU-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN C[C@@H](CO)CN1CCSC[C@H]1CO ZINC000308335193 491135919 /nfs/dbraw/zinc/13/59/19/491135919.db2.gz NPBTVMGATWMFCW-RKDXNWHRSA-N 0 3 205.323 0.025 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCCN(C)C1 ZINC000081900807 491137024 /nfs/dbraw/zinc/13/70/24/491137024.db2.gz YGZLUIIKUPRZKD-NXEZZACHSA-N 0 3 234.365 0.103 20 0 BCADHN C[C@H](NC1CSC1)C(=O)N1CCCC1 ZINC000308693673 491137767 /nfs/dbraw/zinc/13/77/67/491137767.db2.gz NRUJCDKNKWPUMN-QMMMGPOBSA-N 0 3 214.334 0.702 20 0 BCADHN C[C@@H](NCc1cn(C)cn1)[C@@H]1CCOC1 ZINC000308882873 491139602 /nfs/dbraw/zinc/13/96/02/491139602.db2.gz FLXNYIFFHKKZJX-NXEZZACHSA-N 0 3 209.293 0.935 20 0 BCADHN OC[C@H](CNCc1cn[nH]c1)[C@@H]1CCOC1 ZINC000309553244 491151297 /nfs/dbraw/zinc/15/12/97/491151297.db2.gz GRGULAGHZJHIOB-MNOVXSKESA-N 0 3 225.292 0.144 20 0 BCADHN C[C@@H]1C[C@@H]1CNCc1nnc2n1CCOC2 ZINC000309774167 491156164 /nfs/dbraw/zinc/15/61/64/491156164.db2.gz LGXBPOIOKMNBIT-RKDXNWHRSA-N 0 3 222.292 0.554 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@H](C)C(=O)N(C)OC)CCO1 ZINC000858322875 582459145 /nfs/dbraw/zinc/45/91/45/582459145.db2.gz MXLLBHKXASXTLI-OUAUKWLOSA-N 0 3 244.335 0.942 20 0 BCADHN CCN(C[C@H](C)OC)C(=S)NCCN(C)C ZINC000812263996 582502710 /nfs/dbraw/zinc/50/27/10/582502710.db2.gz AXHBUBBGRRXNIJ-JTQLQIEISA-N 0 3 247.408 0.779 20 0 BCADHN CC[C@H](C(=O)NCC[C@H](O)C1CC1)N(C)C ZINC000890714554 582512346 /nfs/dbraw/zinc/51/23/46/582512346.db2.gz RGHVCMNLFITQTO-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN O=C1OC[C@H]2CN(CCO[C@@H]3CC3(F)F)C[C@@H]12 ZINC000860168288 582512535 /nfs/dbraw/zinc/51/25/35/582512535.db2.gz WCSCNHLPYDZGFR-IWSPIJDZSA-N 0 3 247.241 0.515 20 0 BCADHN CC(C)[C@@H](C(=O)NCC[C@@H](O)C1CC1)N(C)C ZINC000890725588 582517657 /nfs/dbraw/zinc/51/76/57/582517657.db2.gz UVBUPYNOOGVUKA-NEPJUHHUSA-N 0 3 242.363 0.850 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N1CC(OC)C1 ZINC000335897968 535492384 /nfs/dbraw/zinc/49/23/84/535492384.db2.gz AHLKAYSHUZVKBP-NSHDSACASA-N 0 3 226.320 0.718 20 0 BCADHN CC(C(=O)N[C@@H]1CC=CC[C@H]1C)S(C)(=O)=O ZINC000890770317 582551057 /nfs/dbraw/zinc/55/10/57/582551057.db2.gz VVKHZXQUBSVQPJ-OPRDCNLKSA-N 0 3 245.344 0.890 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)/C=C\c1ncc[nH]1 ZINC000493261092 533728096 /nfs/dbraw/zinc/72/80/96/533728096.db2.gz JOUHRAKZASTQKZ-WBSSQXGSSA-N 0 3 222.292 0.489 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C=Cc1c[nH]cn1 ZINC000492831804 533728400 /nfs/dbraw/zinc/72/84/00/533728400.db2.gz BSDVZGJGCFKPRP-WBSSQXGSSA-N 0 3 222.292 0.489 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)[C@@H]1CCC[C@H]1O ZINC000512411510 533728471 /nfs/dbraw/zinc/72/84/71/533728471.db2.gz OJVCDZFGYMZFAW-HBNTYKKESA-N 0 3 243.351 0.491 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@@H]1C[C@H]1C ZINC000481210899 533730372 /nfs/dbraw/zinc/73/03/72/533730372.db2.gz NBBIKUIFVUFTDV-UTLUCORTSA-N 0 3 213.325 0.892 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000512422149 533731442 /nfs/dbraw/zinc/73/14/42/533731442.db2.gz PHNHEYFAJKVGTG-GARJFASQSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H]1CCC[C@@H](CO)N1CC(=O)NC1CC1 ZINC000305232532 533753932 /nfs/dbraw/zinc/75/39/32/533753932.db2.gz MLTHTFIHGMAAEQ-KOLCDFICSA-N 0 3 226.320 0.500 20 0 BCADHN Cc1c(CN2CCC(C(N)=O)CC2)cnn1C ZINC000505887073 533844111 /nfs/dbraw/zinc/84/41/11/533844111.db2.gz RJKGBFQUMBQSDT-UHFFFAOYSA-N 0 3 236.319 0.426 20 0 BCADHN COC(=O)N1CC(N[C@@H]2CC[C@H]2SC)C1 ZINC000496226368 533933755 /nfs/dbraw/zinc/93/37/55/533933755.db2.gz KDFLRRLLDWLNOL-RKDXNWHRSA-N 0 3 230.333 0.921 20 0 BCADHN CS[C@@H](CO)[C@H](C)NC(=O)CN(C)C(C)C ZINC000305150367 533937695 /nfs/dbraw/zinc/93/76/95/533937695.db2.gz OQPWTBDMBUDMDC-UWVGGRQHSA-N 0 3 248.392 0.555 20 0 BCADHN CCOC(=O)CCN(C)C1(C(N)=O)CCCC1 ZINC000180703166 535642067 /nfs/dbraw/zinc/64/20/67/535642067.db2.gz ARCOVVXXSZCKEN-UHFFFAOYSA-N 0 3 242.319 0.670 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@H](N)[C@H](C)CC ZINC000252715771 535714286 /nfs/dbraw/zinc/71/42/86/535714286.db2.gz WQTUJPPDTHKDQW-KXUCPTDWSA-N 0 3 216.325 0.637 20 0 BCADHN C[C@H]1C[C@@H](CO)CCN1C(=O)/C=C/CN(C)C ZINC000493124687 534084758 /nfs/dbraw/zinc/08/47/58/534084758.db2.gz OSFVZBGQYGNTFS-XMXMHJJKSA-N 0 3 240.347 0.724 20 0 BCADHN CCN(C[C@@H](C)O)[C@@H]1CCN(C(C)C)C1=O ZINC000352232365 535764917 /nfs/dbraw/zinc/76/49/17/535764917.db2.gz UTNAOQXGSBRHPY-GHMZBOCLSA-N 0 3 228.336 0.698 20 0 BCADHN Cn1nccc1CNc1ccncc1CO ZINC000891740167 582715912 /nfs/dbraw/zinc/71/59/12/582715912.db2.gz QKESJBWZTBURRP-UHFFFAOYSA-N 0 3 218.260 0.341 20 0 BCADHN CN(C(=O)CN1C[C@@H]2CC[C@@H](O)[C@H]2C1)C1CC1 ZINC000252878778 535991955 /nfs/dbraw/zinc/99/19/55/535991955.db2.gz RWHJYANLSUOMDA-ZMLRMANQSA-N 0 3 238.331 0.310 20 0 BCADHN CC[C@H](OC)C(=O)NCCOCCN(C)C ZINC000346014153 536020473 /nfs/dbraw/zinc/02/04/73/536020473.db2.gz RJQQPLVGXFAZHI-JTQLQIEISA-N 0 3 232.324 0.106 20 0 BCADHN COC(=O)[C@@H](C)N1CCN(C)[C@H](C(C)C)C1 ZINC000488031867 534227571 /nfs/dbraw/zinc/22/75/71/534227571.db2.gz MNIQQPXKNLCVHQ-MNOVXSKESA-N 0 3 228.336 0.820 20 0 BCADHN CC[C@@]1(C)CCN([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000336048859 536051668 /nfs/dbraw/zinc/05/16/68/536051668.db2.gz BGOHWVQQRWJLIG-CABZTGNLSA-N 0 3 241.335 0.953 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C\CN(C)C)C[C@H]1CO ZINC000493041051 534276286 /nfs/dbraw/zinc/27/62/86/534276286.db2.gz WBLODGZBVPARBZ-KWKBKKAHSA-N 0 3 226.320 0.191 20 0 BCADHN C[C@@H](F)CCN1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000510649165 534277500 /nfs/dbraw/zinc/27/75/00/534277500.db2.gz WTIDXTPOGSSIPR-BBBLOLIVSA-N 0 3 229.299 0.832 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C\c2cnccn2)[C@@H](C)CN1 ZINC000493406552 534277594 /nfs/dbraw/zinc/27/75/94/534277594.db2.gz ZNXNGFAJWABTML-CJOPTALJSA-N 0 3 246.314 0.699 20 0 BCADHN CC[C@H](COC)NCC(=O)NCC(F)(F)F ZINC000070658442 536120555 /nfs/dbraw/zinc/12/05/55/536120555.db2.gz MMPOEPVZRZNLRO-SSDOTTSWSA-N 0 3 242.241 0.680 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(CC)CC(=O)NCC ZINC000037895320 517603096 /nfs/dbraw/zinc/60/30/96/517603096.db2.gz UCJIETKJDIXVLH-GFCCVEGCSA-N 0 3 243.351 0.489 20 0 BCADHN CC[C@H](N)C(=O)N1CCCN(C2CC2)CC1 ZINC000178747705 536138153 /nfs/dbraw/zinc/13/81/53/536138153.db2.gz GKYJRHRCFMQRAQ-NSHDSACASA-N 0 3 225.336 0.420 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCCN(C)C ZINC000527641838 518185175 /nfs/dbraw/zinc/18/51/75/518185175.db2.gz IEJBDRSGXYBQRJ-MMWGEVLESA-N 0 3 228.336 0.724 20 0 BCADHN NC(=O)[N-]C(=O)OCCC[NH+]1C2CCC1CC2 ZINC000494574273 534385529 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OAIYFUZYZZIQDT-JTQLQIEISA-N 0 3 247.408 0.685 20 0 BCADHN CN(CCN)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000261531705 536368691 /nfs/dbraw/zinc/36/86/91/536368691.db2.gz HNMFCKPSHLBTIK-UWVGGRQHSA-N 0 3 234.365 0.233 20 0 BCADHN O=C1OC[C@H]2CN(C[C@@H]3CCOC3)CCN12 ZINC000493427778 534817626 /nfs/dbraw/zinc/81/76/26/534817626.db2.gz QZZPEGNYKQLLJG-VHSXEESVSA-N 0 3 226.276 0.159 20 0 BCADHN O=C1OC[C@H]2CN(CC3CCC3)CCN12 ZINC000493566994 534817960 /nfs/dbraw/zinc/81/79/60/534817960.db2.gz QSUMSQIRJXKKGI-SNVBAGLBSA-N 0 3 210.277 0.923 20 0 BCADHN CNC(=O)c1ccc(CN2C[C@H](O)[C@@H](C)C2)cc1 ZINC000351780332 536424853 /nfs/dbraw/zinc/42/48/53/536424853.db2.gz MBWJZOLJHCROBM-GWCFXTLKSA-N 0 3 248.326 0.859 20 0 BCADHN CNCC(=O)NC[C@H](OC)c1ccccc1 ZINC000237237824 536440705 /nfs/dbraw/zinc/44/07/05/536440705.db2.gz HSOAIYANLOESFJ-NSHDSACASA-N 0 3 222.288 0.710 20 0 BCADHN CNCC(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000261539544 536441066 /nfs/dbraw/zinc/44/10/66/536441066.db2.gz CSEOCWDELLNWLL-ONGXEEELSA-N 0 3 214.309 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UINMQCPFLNLOBG-ZJUUUORDSA-N 0 3 214.309 0.167 20 0 BCADHN CC[C@@H](CCO)CNC(=O)C(C)(C)N ZINC000087370090 535740417 /nfs/dbraw/zinc/74/04/17/535740417.db2.gz MLMIPWOIISLQJD-QMMMGPOBSA-N 0 3 202.298 0.249 20 0 BCADHN CC[C@@H](CO)NC(=O)[C@@H](C(C)C)N(C)C ZINC000343131210 535758386 /nfs/dbraw/zinc/75/83/86/535758386.db2.gz WIOHQKWCXDGIFJ-VHSXEESVSA-N 0 3 216.325 0.460 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N(C)CCCOC ZINC000342496877 535792115 /nfs/dbraw/zinc/79/21/15/535792115.db2.gz OFPXOKFWFDXKFQ-VIFPVBQESA-N 0 3 245.323 0.189 20 0 BCADHN CC[C@@H](NC(=O)[C@H](CN)OC)C(C)C ZINC000227377778 535798776 /nfs/dbraw/zinc/79/87/76/535798776.db2.gz JGISOFAONLFGCA-BDAKNGLRSA-N 0 3 202.298 0.511 20 0 BCADHN CN(C)CCNC(=O)NCC1(C(F)F)CC1 ZINC000350362466 535883688 /nfs/dbraw/zinc/88/36/88/535883688.db2.gz DZHWDNSHPNHAHY-UHFFFAOYSA-N 0 3 235.278 0.893 20 0 BCADHN CC[C@H](NCC[C@@H](O)COC)c1ccn(C)n1 ZINC000349777806 535904962 /nfs/dbraw/zinc/90/49/62/535904962.db2.gz QNGNTZZBUSAUDH-MNOVXSKESA-N 0 3 241.335 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ZINC000880489969 583544659 /nfs/dbraw/zinc/54/46/59/583544659.db2.gz ZSXOBKGSZCTVIB-LBPRGKRZSA-N 0 3 221.304 0.678 20 0 BCADHN CC(C)(C)OC(=O)C(=O)N1CCCNCC1 ZINC000857763249 588909957 /nfs/dbraw/zinc/90/99/57/588909957.db2.gz RWZDLYDDOAOCKP-UHFFFAOYSA-N 0 3 228.292 0.150 20 0 BCADHN C[C@](O)(C[C@H](O)CN1CC=C[C@H]1CO)C1CC1 ZINC000880494004 583545616 /nfs/dbraw/zinc/54/56/16/583545616.db2.gz IDCWTXBRDUGUQP-AVGNSLFASA-N 0 3 241.331 0.131 20 0 BCADHN c1cc(CNC[C@H]2COCO2)sn1 ZINC000894884933 583546345 /nfs/dbraw/zinc/54/63/45/583546345.db2.gz MCTBEBNFVKCZKS-ZETCQYMHSA-N 0 3 200.263 0.606 20 0 BCADHN CCC[C@H](O)CN1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880523012 583546386 /nfs/dbraw/zinc/54/63/86/583546386.db2.gz CCQMJSVAAHMXLC-SRVKXCTJSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1n[nH]c(CNC[C@H]2COCO2)c1C ZINC000894888345 583547441 /nfs/dbraw/zinc/54/74/41/583547441.db2.gz KREFVSBLPZCXIW-VIFPVBQESA-N 0 3 211.265 0.489 20 0 BCADHN Cc1[nH]nc(CNC[C@H]2COCO2)c1C ZINC000894888345 583547443 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214.294 0.287 20 0 BCADHN CC[C@H](N[C@H]1CCCc2cn[nH]c21)C(=O)NC ZINC000857870450 588917769 /nfs/dbraw/zinc/91/77/69/588917769.db2.gz XGWIDVBSQCIAAK-UWVGGRQHSA-N 0 3 236.319 0.901 20 0 BCADHN C[C@@H](NCC[C@H]1CCOC1)C1N=NC(=O)N1C ZINC000895173547 583613268 /nfs/dbraw/zinc/61/32/68/583613268.db2.gz BAMFTJOHTIYIRL-BDAKNGLRSA-N 0 3 240.307 0.598 20 0 BCADHN O[C@@H]1COC[C@H]1N[C@H]1CCCc2cn[nH]c21 ZINC000857869051 588916587 /nfs/dbraw/zinc/91/65/87/588916587.db2.gz JAVHGSGIHUDHKJ-IVZWLZJFSA-N 0 3 223.276 0.136 20 0 BCADHN COCCCN1CCC(NC(=O)OC)CC1 ZINC000727105762 583615988 /nfs/dbraw/zinc/61/59/88/583615988.db2.gz OAIDITYGTYTLCV-UHFFFAOYSA-N 0 3 230.308 0.843 20 0 BCADHN C[C@@H](N[C@@H](C)C1N=NC(=O)N1C)[C@H]1CCOC1 ZINC000895177747 583616187 /nfs/dbraw/zinc/61/61/87/583616187.db2.gz XHTRRYCLQXJHAC-VGMNWLOBSA-N 0 3 240.307 0.596 20 0 BCADHN C[C@H](NC[C@@H]1C[C@H]1C)C1N=NC(=O)N1C ZINC000895177833 583616191 /nfs/dbraw/zinc/61/61/91/583616191.db2.gz XNXZZCHNVWHQKE-CSMHCCOUSA-N 0 3 210.281 0.827 20 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O[C@@H]1COCC[C@H]1N[C@@H]1CCCc2c[nH]nc21 ZINC000857871393 588917613 /nfs/dbraw/zinc/91/76/13/588917613.db2.gz OPKMNZUVFVJRTL-GMTAPVOTSA-N 0 3 237.303 0.527 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CNC/C=C/CO)C1(F)F ZINC000895247670 583632660 /nfs/dbraw/zinc/63/26/60/583632660.db2.gz GVKNTEBSBMRRKV-TZIBCRCASA-N 0 3 235.230 0.179 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H]1COCC1(C)C ZINC000895251526 583633207 /nfs/dbraw/zinc/63/32/07/583633207.db2.gz WYABGNVAMRNOBF-LPEHRKFASA-N 0 3 243.303 0.332 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)c1nccn1C ZINC000857773087 588911158 /nfs/dbraw/zinc/91/11/58/588911158.db2.gz IFLWODHPPREYBM-JTQLQIEISA-N 0 3 236.319 0.586 20 0 BCADHN Cc1ccnc(N)c1CN(C)CC1CN(C)C1 ZINC000895258461 583634390 /nfs/dbraw/zinc/63/43/90/583634390.db2.gz DMXFOYKRVXDPLG-UHFFFAOYSA-N 0 3 234.347 0.966 20 0 BCADHN CC1=NO[C@H](CN[C@@H](C)Cn2cncn2)C1 ZINC000895301950 583644422 /nfs/dbraw/zinc/64/44/22/583644422.db2.gz NXHGSPYUDRLYEW-UWVGGRQHSA-N 0 3 223.280 0.421 20 0 BCADHN CO[C@H](CN[C@@H](C)COC(C)=O)[C@@H]1CCOC1 ZINC000895311425 583647146 /nfs/dbraw/zinc/64/71/46/583647146.db2.gz ZHNXTJPXNDADSZ-MVWJERBFSA-N 0 3 245.319 0.579 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1N[C@@H]1CCSC1 ZINC000895317222 583648594 /nfs/dbraw/zinc/64/85/94/583648594.db2.gz VIVFRJZAJULCJK-SFYZADRCSA-N 0 3 214.334 0.606 20 0 BCADHN CC1(C)C[C@H](N[C@@H]2C(=O)NCC2(C)C)CO1 ZINC000895321274 583649271 /nfs/dbraw/zinc/64/92/71/583649271.db2.gz MFJVESNRAYMIHG-DTWKUNHWSA-N 0 3 226.320 0.668 20 0 BCADHN Cc1cn[nH]c1CN[C@H]1C(=O)NCC1(C)C ZINC000895323339 583649941 /nfs/dbraw/zinc/64/99/41/583649941.db2.gz KYOYYLCLWJOYOD-VIFPVBQESA-N 0 3 222.292 0.332 20 0 BCADHN CC[C@@H](COC)N[C@@H]1C(=O)NCC1(C)C ZINC000895322091 583650025 /nfs/dbraw/zinc/65/00/25/583650025.db2.gz BPCZOLAEBGGLTL-DTWKUNHWSA-N 0 3 214.309 0.526 20 0 BCADHN Cn1cccc1CN1C[C@@H](O)C[C@]1(C)CO ZINC000895332273 583652232 /nfs/dbraw/zinc/65/22/32/583652232.db2.gz URUBKMLOLFTBOE-NWDGAFQWSA-N 0 3 224.304 0.343 20 0 BCADHN Cc1n[nH]cc1CN1C[C@@H](O)C[C@@]1(C)CO ZINC000895330347 583653021 /nfs/dbraw/zinc/65/30/21/583653021.db2.gz LHSLGLKLXCEDAF-QWRGUYRKSA-N 0 3 225.292 0.036 20 0 BCADHN Cc1[nH]nc(CN2CCc3nn[nH]c3C2)c1C ZINC000895353449 583657521 /nfs/dbraw/zinc/65/75/21/583657521.db2.gz ILHMJJXVMPSLPL-UHFFFAOYSA-N 0 3 232.291 0.703 20 0 BCADHN Cc1n[nH]c(CN2CCc3n[nH]nc3C2)c1C ZINC000895353449 583657522 /nfs/dbraw/zinc/65/75/22/583657522.db2.gz ILHMJJXVMPSLPL-UHFFFAOYSA-N 0 3 232.291 0.703 20 0 BCADHN CN(C)CCNC(=S)N(C)[C@H]1CCCOC1 ZINC000795107719 583658010 /nfs/dbraw/zinc/65/80/10/583658010.db2.gz KJKJSPWBIWJOOY-JTQLQIEISA-N 0 3 245.392 0.533 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN2C[C@@H]3C[C@@H]3C2)C1(F)F ZINC000895387736 583663175 /nfs/dbraw/zinc/66/31/75/583663175.db2.gz DQVQBBREAPEOTR-KZVJFYERSA-N 0 3 231.242 0.992 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN[C@H]2C[C@H](OC)C2)C1(F)F ZINC000895414143 583666746 /nfs/dbraw/zinc/66/67/46/583666746.db2.gz KMIHKNHTGNKLNN-JBDRJPRFSA-N 0 3 249.257 0.808 20 0 BCADHN CC(=O)OC[C@@H](C)NC[C@H]1CC(C)=NO1 ZINC000895428486 583668479 /nfs/dbraw/zinc/66/84/79/583668479.db2.gz HFHYZLXLAGHBMW-PSASIEDQSA-N 0 3 214.265 0.692 20 0 BCADHN CCO[C@@H]1C[C@@H](NC[C@@H]2CC(C)=NO2)[C@H]1OC ZINC000895429513 583668991 /nfs/dbraw/zinc/66/89/91/583668991.db2.gz OTBODHHREOTBAA-IRCOFANPSA-N 0 3 242.319 0.933 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NCc1cc[nH]c(=O)c1 ZINC000895433434 583672168 /nfs/dbraw/zinc/67/21/68/583672168.db2.gz MPNZTADWALHNGZ-SNVBAGLBSA-N 0 3 235.287 0.401 20 0 BCADHN CN(C)c1ncc(CNCC2CSC2)cn1 ZINC000895421755 583673211 /nfs/dbraw/zinc/67/32/11/583673211.db2.gz XRGUJXVODSRVBD-UHFFFAOYSA-N 0 3 238.360 0.995 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1CNCc1c[nH]cn1 ZINC000895456048 583676975 /nfs/dbraw/zinc/67/69/75/583676975.db2.gz AQIXQUZRHGZFQK-PSASIEDQSA-N 0 3 239.275 0.077 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1CNCc1cnc[nH]1 ZINC000895456048 583676978 /nfs/dbraw/zinc/67/69/78/583676978.db2.gz AQIXQUZRHGZFQK-PSASIEDQSA-N 0 3 239.275 0.077 20 0 BCADHN CCn1cc(CN[C@H]2C[C@H](O)C2)c(C)n1 ZINC000895473446 583679411 /nfs/dbraw/zinc/67/94/11/583679411.db2.gz ICGXPGUPFZINSR-XYPYZODXSA-N 0 3 209.293 0.824 20 0 BCADHN COC(=O)/C(C)=C\CNc1cc(C)nc(N)n1 ZINC000895509960 583681864 /nfs/dbraw/zinc/68/18/64/583681864.db2.gz ZFUYWBDHZPNHKD-DAXSKMNVSA-N 0 3 236.275 0.898 20 0 BCADHN CN1CCN(CCc2ccc(C(N)=O)cc2)CC1 ZINC000147660001 583681947 /nfs/dbraw/zinc/68/19/47/583681947.db2.gz XXGDFWKQRNBRBT-UHFFFAOYSA-N 0 3 247.342 0.575 20 0 BCADHN c1[nH]nnc1CN[C@H]1COC2(CCC2)C1 ZINC000895532214 583685519 /nfs/dbraw/zinc/68/55/19/583685519.db2.gz NSAPWSBTFVTKAI-MRVPVSSYSA-N 0 3 208.265 0.606 20 0 BCADHN CCON(CC)C(=O)CN[C@@H](C)CCO ZINC000895559673 583691414 /nfs/dbraw/zinc/69/14/14/583691414.db2.gz UBVYEHAPWCPKKD-VIFPVBQESA-N 0 3 218.297 0.147 20 0 BCADHN CC(=O)N1C[C@H]2CN(CC3(F)CC3)C[C@H]2C1 ZINC000895576728 583694046 /nfs/dbraw/zinc/69/40/46/583694046.db2.gz QITURLMWVVWEMP-PHIMTYICSA-N 0 3 226.295 0.899 20 0 BCADHN Cc1cc(F)ncc1CN[C@H]1C[C@H](C(N)=O)C1 ZINC000895588722 583694775 /nfs/dbraw/zinc/69/47/75/583694775.db2.gz HPPGJPWXBICJFN-CZMCAQCFSA-N 0 3 237.278 0.883 20 0 BCADHN CN1CCC[C@H]1C(=O)NCCNc1ccccn1 ZINC000895608307 583695220 /nfs/dbraw/zinc/69/52/20/583695220.db2.gz JMWGHEHALYUEEM-NSHDSACASA-N 0 3 248.330 0.704 20 0 BCADHN O=c1[nH]c2ccc(CN3C[C@H]4C[C@@]4(O)C3)cc2[nH]1 ZINC000895656457 583701572 /nfs/dbraw/zinc/70/15/72/583701572.db2.gz YSJUBKYMEXUPRD-NOZJJQNGSA-N 0 3 245.282 0.835 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCN1C(C)(C)C)N(C)C ZINC000895681343 583709161 /nfs/dbraw/zinc/70/91/61/583709161.db2.gz QXAWJLWWGDJWLV-QWRGUYRKSA-N 0 3 241.379 0.926 20 0 BCADHN CCCSC[C@H](C)N[C@@H]1COC[C@@H]1O ZINC000895698752 583710820 /nfs/dbraw/zinc/71/08/20/583710820.db2.gz FCJDAKIRVCIRLO-AEJSXWLSSA-N 0 3 219.350 0.867 20 0 BCADHN Cc1nc(N[C@@H]2CCN(C)[C@H]2C)cc2nncn21 ZINC000895739754 583713932 /nfs/dbraw/zinc/71/39/32/583713932.db2.gz IYOSCZPAYFBHAH-WCBMZHEXSA-N 0 3 246.318 0.937 20 0 BCADHN CO[C@@H](C)CNC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000895741535 583714200 /nfs/dbraw/zinc/71/42/00/583714200.db2.gz GQPXQEKGQUCSFZ-AXFHLTTASA-N 0 3 241.335 0.367 20 0 BCADHN CO[C@@H](C)CNC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000895741536 583714242 /nfs/dbraw/zinc/71/42/42/583714242.db2.gz GQPXQEKGQUCSFZ-DCAQKATOSA-N 0 3 241.335 0.367 20 0 BCADHN Cc1nc(N[C@@H]2CCN(C)[C@@H]2C)cc2nncn21 ZINC000895739752 583714575 /nfs/dbraw/zinc/71/45/75/583714575.db2.gz IYOSCZPAYFBHAH-PSASIEDQSA-N 0 3 246.318 0.937 20 0 BCADHN OC[C@@H](C[C@@H]1CCCO1)NCc1c[nH]cn1 ZINC000895746128 583716599 /nfs/dbraw/zinc/71/65/99/583716599.db2.gz CDLPCTJMESUERF-KOLCDFICSA-N 0 3 225.292 0.429 20 0 BCADHN OC[C@@H](C[C@@H]1CCCO1)NCc1cnc[nH]1 ZINC000895746128 583716601 /nfs/dbraw/zinc/71/66/01/583716601.db2.gz CDLPCTJMESUERF-KOLCDFICSA-N 0 3 225.292 0.429 20 0 BCADHN OC[C@@H](C[C@@H]1CCCO1)NC1CSC1 ZINC000895749235 583717274 /nfs/dbraw/zinc/71/72/74/583717274.db2.gz PXMNQRMDSGHEGF-SCZZXKLOSA-N 0 3 217.334 0.621 20 0 BCADHN O=C(NCCNc1ccncc1)C1CSC1 ZINC000895798455 583730722 /nfs/dbraw/zinc/73/07/22/583730722.db2.gz GEKLGFSFACFTPM-UHFFFAOYSA-N 0 3 237.328 0.395 20 0 BCADHN CC(C)(C)N1CC[C@H]1C(=O)NCc1nc[nH]n1 ZINC000895817802 583734336 /nfs/dbraw/zinc/73/43/36/583734336.db2.gz LNUUVRGSGRSFBY-QMMMGPOBSA-N 0 3 237.307 0.294 20 0 BCADHN CC(C)(C)N1CC[C@H]1C(=O)NCc1nnc[nH]1 ZINC000895817802 583734337 /nfs/dbraw/zinc/73/43/37/583734337.db2.gz LNUUVRGSGRSFBY-QMMMGPOBSA-N 0 3 237.307 0.294 20 0 BCADHN CCCN1CC[C@H](NC(=O)N2CC[C@@H]2CO)C1 ZINC000895840383 583735003 /nfs/dbraw/zinc/73/50/03/583735003.db2.gz GEIZGCVINSHFSN-WDEREUQCSA-N 0 3 241.335 0.247 20 0 BCADHN COC[C@H](C)CN1CC[C@H](NC(=O)OC)C1 ZINC000895847329 583736533 /nfs/dbraw/zinc/73/65/33/583736533.db2.gz BHWQHIJNBNASCK-ZJUUUORDSA-N 0 3 230.308 0.699 20 0 BCADHN COC(=O)N[C@H]1CCN(CC2=CCCOC2)C1 ZINC000895851049 583736666 /nfs/dbraw/zinc/73/66/66/583736666.db2.gz RNIMKCRZXVCOSY-NSHDSACASA-N 0 3 240.303 0.763 20 0 BCADHN CCNC(=S)NC[C@H]1CCCN1CCOC ZINC000727702972 583741826 /nfs/dbraw/zinc/74/18/26/583741826.db2.gz HKYLRLGMLSMRBE-SNVBAGLBSA-N 0 3 245.392 0.581 20 0 BCADHN Cc1cc(N)nc(N[C@H]2COC[C@H]2C)n1 ZINC000895909617 583745161 /nfs/dbraw/zinc/74/51/61/583745161.db2.gz PSHVEKRQGMVCQR-SVRRBLITSA-N 0 3 208.265 0.814 20 0 BCADHN c1nc2n(c1CN1C[C@@H]3COC[C@@H]3C1)CCOC2 ZINC000895927173 583748819 /nfs/dbraw/zinc/74/88/19/583748819.db2.gz IPRRSGKCSIADLV-PHIMTYICSA-N 0 3 249.314 0.492 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000896115401 583772007 /nfs/dbraw/zinc/77/20/07/583772007.db2.gz DAIJGUQYVAPJLL-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN CCO[C@H](CNc1cc(F)ncn1)CN(C)C ZINC000896114024 583772384 /nfs/dbraw/zinc/77/23/84/583772384.db2.gz VCMAIVYNQVIJRE-SECBINFHSA-N 0 3 242.298 0.994 20 0 BCADHN CCOCCOCCNc1cc(C)nc(N)n1 ZINC000896480105 583805828 /nfs/dbraw/zinc/80/58/28/583805828.db2.gz LEJSDXBJOMBENC-UHFFFAOYSA-N 0 3 240.307 0.832 20 0 BCADHN COC(=O)[C@@H]1[C@H](CNC[C@H]2CCN2C)C1(F)F ZINC000896595055 583816981 /nfs/dbraw/zinc/81/69/81/583816981.db2.gz MSFNWBLXXXQPRE-VGMNWLOBSA-N 0 3 248.273 0.334 20 0 BCADHN CCN(CCC(N)=O)Cc1cnc2cnccn12 ZINC000896713266 583826557 /nfs/dbraw/zinc/82/65/57/583826557.db2.gz WRWVDRQJLFSGPX-UHFFFAOYSA-N 0 3 247.302 0.427 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H]1COC[C@@H]1C ZINC000896734308 583828759 /nfs/dbraw/zinc/82/87/59/583828759.db2.gz UXIJYWJNXBBTTO-OYNCUSHFSA-N 0 3 201.266 0.563 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN[C@@H]2COC[C@H]2C)C1(F)F ZINC000896737535 583829087 /nfs/dbraw/zinc/82/90/87/583829087.db2.gz STBCDYQDKJHOKY-XAVMHZPKSA-N 0 3 249.257 0.665 20 0 BCADHN CCOC[C@@H](O)CNCc1ccnc(F)c1 ZINC000858145225 588935402 /nfs/dbraw/zinc/93/54/02/588935402.db2.gz ZVANQAAMCTVAEL-JTQLQIEISA-N 0 3 228.267 0.708 20 0 BCADHN CCOC[C@H](O)CNCc1ccnc(F)c1 ZINC000858145226 588935429 /nfs/dbraw/zinc/93/54/29/588935429.db2.gz ZVANQAAMCTVAEL-SNVBAGLBSA-N 0 3 228.267 0.708 20 0 BCADHN CN1CC[C@H](c2nc(-c3ccnn3C)no2)C1 ZINC000896858530 583841335 /nfs/dbraw/zinc/84/13/35/583841335.db2.gz SJHUZFXMBDSWCF-QMMMGPOBSA-N 0 3 233.275 0.889 20 0 BCADHN Cc1nnc(N2C[C@H]3CN(C)C[C@@]3(C)C2)o1 ZINC000896913820 583853946 /nfs/dbraw/zinc/85/39/46/583853946.db2.gz VRIOCLQLUDIRHW-KOLCDFICSA-N 0 3 222.292 0.766 20 0 BCADHN CCC[C@@H](O)[C@H](CO)NCc1ccnc(F)c1 ZINC000858176642 588937074 /nfs/dbraw/zinc/93/70/74/588937074.db2.gz DLFWTNBWNSEPBC-WDEREUQCSA-N 0 3 242.294 0.832 20 0 BCADHN CNC(=O)C[C@@H](C)NCc1ccnc(F)c1 ZINC000858174869 588937430 /nfs/dbraw/zinc/93/74/30/588937430.db2.gz XXBIKFKQFIRMMU-MRVPVSSYSA-N 0 3 225.267 0.835 20 0 BCADHN O=C1CCCN1CCNCc1ccnc(F)c1 ZINC000858183387 588937546 /nfs/dbraw/zinc/93/75/46/588937546.db2.gz DHESHJHLKMGJOS-UHFFFAOYSA-N 0 3 237.278 0.933 20 0 BCADHN CCON(CC)C(=O)CN[C@H]1CCOC1 ZINC000858220217 588937699 /nfs/dbraw/zinc/93/76/99/588937699.db2.gz OYIVTMJVNHBWIM-VIFPVBQESA-N 0 3 216.281 0.165 20 0 BCADHN Cc1ccnc(N2CCN(C)CCN(C)CC2)n1 ZINC000897099227 583880269 /nfs/dbraw/zinc/88/02/69/583880269.db2.gz XXONTJGKPXSSMM-UHFFFAOYSA-N 0 3 249.362 0.469 20 0 BCADHN CN(C[C@H]1CCC[C@@H]1O)C(=O)[C@@H]1CCCN1C ZINC000897212273 583896310 /nfs/dbraw/zinc/89/63/10/583896310.db2.gz WDNWDBFPHUKDOY-WOPDTQHZSA-N 0 3 240.347 0.700 20 0 BCADHN NC(=O)[C@H]1C[C@H](NCc2ccc(F)nc2)C1 ZINC000858246853 588940317 /nfs/dbraw/zinc/94/03/17/588940317.db2.gz IDDXSSQSBHAXIC-KYZUINATSA-N 0 3 223.251 0.574 20 0 BCADHN Cn1nccc1[C@@H](O)CNC1CSC1 ZINC000897302859 583912355 /nfs/dbraw/zinc/91/23/55/583912355.db2.gz YVBSSGBYKTUWOB-VIFPVBQESA-N 0 3 213.306 0.159 20 0 BCADHN CS[C@@H]1CC[C@H]1NC[C@H](O)c1ccnn1C ZINC000897302586 583912405 /nfs/dbraw/zinc/91/24/05/583912405.db2.gz RFNZGDYTEWGKCE-DVVUODLYSA-N 0 3 241.360 0.937 20 0 BCADHN CO[C@@]1(C[NH2+]Cc2cncc([O-])c2)CCOC1 ZINC000897314882 583918055 /nfs/dbraw/zinc/91/80/55/583918055.db2.gz CUXJHARQHJLBKX-GFCCVEGCSA-N 0 3 238.287 0.682 20 0 BCADHN CO[C@@]1(CNCc2cncc(O)c2)CCOC1 ZINC000897314882 583918056 /nfs/dbraw/zinc/91/80/56/583918056.db2.gz CUXJHARQHJLBKX-GFCCVEGCSA-N 0 3 238.287 0.682 20 0 BCADHN O=C1CC[C@@H]([NH2+]Cc2cncc([O-])c2)CCN1 ZINC000897315781 583918551 /nfs/dbraw/zinc/91/85/51/583918551.db2.gz RQCYSABPXSNNDI-SNVBAGLBSA-N 0 3 235.287 0.546 20 0 BCADHN CCC1(CC)CNC(=O)[C@@H]1NC1CSC1 ZINC000897346557 583927214 /nfs/dbraw/zinc/92/72/14/583927214.db2.gz WLQNESXCDZXZGG-VIFPVBQESA-N 0 3 228.361 0.996 20 0 BCADHN NC(=O)C1CCN(c2ccnc(CO)c2)CC1 ZINC000858310518 588943621 /nfs/dbraw/zinc/94/36/21/588943621.db2.gz LYUPFPZEISHVPN-UHFFFAOYSA-N 0 3 235.287 0.276 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000858319449 588944808 /nfs/dbraw/zinc/94/48/08/588944808.db2.gz LCFFHOQJLFJQFW-ZRUFSTJUSA-N 0 3 244.335 0.940 20 0 BCADHN CO[C@H]1C[C@H](OC(=O)C2CCN(C)C2=O)C1 ZINC000861305362 583955543 /nfs/dbraw/zinc/95/55/43/583955543.db2.gz AAGBVPZUYXJFDB-IWSPIJDZSA-N 0 3 227.260 0.185 20 0 BCADHN COC[C@@H](C)N[C@@H](C)C(=O)N(C)OC ZINC000858319132 588945201 /nfs/dbraw/zinc/94/52/01/588945201.db2.gz BRTNTRSZAHFABX-SFYZADRCSA-N 0 3 204.270 0.019 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H](C)C(=O)N(C)OC)CO1 ZINC000858319610 588945203 /nfs/dbraw/zinc/94/52/03/588945203.db2.gz NXLSSSKGAOVEIH-IVZWLZJFSA-N 0 3 230.308 0.552 20 0 BCADHN C[C@]1(O)CCCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799167699 583958487 /nfs/dbraw/zinc/95/84/87/583958487.db2.gz CRVHQHNZZLNHBG-SKDRFNHKSA-N 0 3 240.303 0.029 20 0 BCADHN CO[C@@H]1CCN(CCN2CCOC2=O)[C@@H](C)C1 ZINC000799344520 583959239 /nfs/dbraw/zinc/95/92/39/583959239.db2.gz XYMYQGJAKOJKBD-WDEREUQCSA-N 0 3 242.319 0.938 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000858322811 588945484 /nfs/dbraw/zinc/94/54/84/588945484.db2.gz KBVVIZPRDNYUPY-ZYUZMQFOSA-N 0 3 230.308 0.550 20 0 BCADHN CC[C@H]1C[C@H](N[C@H](C)C(=O)N(C)OC)CO1 ZINC000858323891 588945666 /nfs/dbraw/zinc/94/56/66/588945666.db2.gz NXLSSSKGAOVEIH-UTLUCORTSA-N 0 3 230.308 0.552 20 0 BCADHN CC[C@@H]1C[C@H](N[C@H](C)C(=O)N(C)OC)CO1 ZINC000858323888 588945700 /nfs/dbraw/zinc/94/57/00/588945700.db2.gz NXLSSSKGAOVEIH-KXUCPTDWSA-N 0 3 230.308 0.552 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2ccnc(F)c2)C1 ZINC000858196312 588938697 /nfs/dbraw/zinc/93/86/97/588938697.db2.gz NMFSXAPGNLQUKD-LLVKDONJSA-N 0 3 237.278 0.931 20 0 BCADHN CCON(CC)C(=O)CN[C@@H]1CCO[C@H]1C ZINC000858220129 588939308 /nfs/dbraw/zinc/93/93/08/588939308.db2.gz MGBOCLKQFONJQC-VHSXEESVSA-N 0 3 230.308 0.553 20 0 BCADHN CCON(CC)C(=O)CN[C@H]1CCO[C@H](C)C1 ZINC000858219803 588939412 /nfs/dbraw/zinc/93/94/12/588939412.db2.gz AZIWZHJIVPMVRA-MNOVXSKESA-N 0 3 244.335 0.944 20 0 BCADHN CCON(CC)C(=O)CN[C@@H]1CO[C@H](C)C1 ZINC000858222978 588939623 /nfs/dbraw/zinc/93/96/23/588939623.db2.gz MDQUSWCWBLJEAQ-ZJUUUORDSA-N 0 3 230.308 0.553 20 0 BCADHN CN(CC(=O)N1CC[C@H]1CO)CC(C)(C)C ZINC000889159670 583983086 /nfs/dbraw/zinc/98/30/86/583983086.db2.gz LQGIYAHNWAXMKP-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H](O)CN(C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000897441923 583985009 /nfs/dbraw/zinc/98/50/09/583985009.db2.gz MMJDRYZXXPTQBF-GHMZBOCLSA-N 0 3 243.351 0.350 20 0 BCADHN C[C@@H](CF)NC(=O)NCCN1CC[C@H](C)C1 ZINC000897460784 583988802 /nfs/dbraw/zinc/98/88/02/583988802.db2.gz WPVMDHFESIQMHC-UWVGGRQHSA-N 0 3 231.315 0.985 20 0 BCADHN CN(CCNCc1cncnc1)CC(F)F ZINC000858336637 588946982 /nfs/dbraw/zinc/94/69/82/588946982.db2.gz OEGCPEHEDROGFR-UHFFFAOYSA-N 0 3 230.262 0.763 20 0 BCADHN C[C@@H](O)CCNC(=O)NCCN1CCC[C@@H]1C ZINC000897482123 583992238 /nfs/dbraw/zinc/99/22/38/583992238.db2.gz LRPQMKOVGJUBDT-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)NCCCCO ZINC000897498240 583997391 /nfs/dbraw/zinc/99/73/91/583997391.db2.gz MGQTWTPOFTYNTC-LLVKDONJSA-N 0 3 243.351 0.542 20 0 BCADHN O=C1NCCCC[C@H]1Nc1ccnc(CO)c1 ZINC000858359654 588948106 /nfs/dbraw/zinc/94/81/06/588948106.db2.gz IGNNEEWUOJRGRB-LLVKDONJSA-N 0 3 235.287 0.655 20 0 BCADHN C[C@@H]1CC[C@@H](C(N)=O)CN1c1ccnc(CO)c1 ZINC000858354187 588948315 /nfs/dbraw/zinc/94/83/15/588948315.db2.gz OIWAYOIZODKIKS-NXEZZACHSA-N 0 3 249.314 0.664 20 0 BCADHN CO[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC000785432888 584007904 /nfs/dbraw/zinc/00/79/04/584007904.db2.gz ABTOXMWQCLYAEU-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN CO[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC000785432895 584007970 /nfs/dbraw/zinc/00/79/70/584007970.db2.gz ABTOXMWQCLYAEU-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H]1CC[C@H](CNCCS(C)(=O)=O)O1 ZINC000148585771 584009877 /nfs/dbraw/zinc/00/98/77/584009877.db2.gz NNCYGQVJUOMUEW-DTWKUNHWSA-N 0 3 221.322 0.188 20 0 BCADHN C[C@@H]1CC[C@@H](CNCCS(C)(=O)=O)O1 ZINC000148585974 584009886 /nfs/dbraw/zinc/00/98/86/584009886.db2.gz NNCYGQVJUOMUEW-BDAKNGLRSA-N 0 3 221.322 0.188 20 0 BCADHN Cn1nncc1CNCC[C@@H]1CCCC[C@@H]1O ZINC000897538772 584010824 /nfs/dbraw/zinc/01/08/24/584010824.db2.gz FKKRYFVNUMRGNF-JQWIXIFHSA-N 0 3 238.335 0.846 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)c1cocn1 ZINC000729625587 584020053 /nfs/dbraw/zinc/02/00/53/584020053.db2.gz KDPCOWINEVGPAV-VIFPVBQESA-N 0 3 225.292 0.991 20 0 BCADHN COCCN(CCN(C)C)C(=S)NC(C)C ZINC000729645021 584021086 /nfs/dbraw/zinc/02/10/86/584021086.db2.gz HFNDXTPUIKSSHG-UHFFFAOYSA-N 0 3 247.408 0.779 20 0 BCADHN Cc1[nH]nc(CN2C[C@@H](C)[C@@H](O)C2)c1C ZINC000897676729 584035926 /nfs/dbraw/zinc/03/59/26/584035926.db2.gz WUZTYEZWHBGDRL-HQJQHLMTSA-N 0 3 209.293 0.839 20 0 BCADHN C[C@@H]1CN(Cc2cnc3c(cnn3C)c2)C[C@H]1O ZINC000897678573 584036149 /nfs/dbraw/zinc/03/61/49/584036149.db2.gz CFXQGODOZYTELG-BXKDBHETSA-N 0 3 246.314 0.781 20 0 BCADHN C[C@@H]1CN(Cc2cnc3c(cnn3C)c2)C[C@@H]1O ZINC000897678576 584036313 /nfs/dbraw/zinc/03/63/13/584036313.db2.gz CFXQGODOZYTELG-SKDRFNHKSA-N 0 3 246.314 0.781 20 0 BCADHN C[C@@H]1CN(Cc2cnn3c2CCC3)C[C@@H]1O ZINC000897680138 584038117 /nfs/dbraw/zinc/03/81/17/584038117.db2.gz PSDOIYGUFATSGS-SKDRFNHKSA-N 0 3 221.304 0.642 20 0 BCADHN CCc1nn(C)cc1CN1C[C@H](C)[C@H](O)C1 ZINC000897681303 584038967 /nfs/dbraw/zinc/03/89/67/584038967.db2.gz QRLSQGLXXBXIHB-JOYOIKCWSA-N 0 3 223.320 0.795 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000897684214 584040678 /nfs/dbraw/zinc/04/06/78/584040678.db2.gz LESWFYMJBIDEND-UFBFGSQYSA-N 0 3 222.288 0.908 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2C[C@H](O)[C@@H](C)C2)n1 ZINC000897684214 584040679 /nfs/dbraw/zinc/04/06/79/584040679.db2.gz LESWFYMJBIDEND-UFBFGSQYSA-N 0 3 222.288 0.908 20 0 BCADHN CN1C[C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@@H]2C1 ZINC000897826439 584051917 /nfs/dbraw/zinc/05/19/17/584051917.db2.gz XPIXCAWIOGATKP-IJLUTSLNSA-N 0 3 237.347 0.243 20 0 BCADHN C[S@@](=O)CCNc1ccnc(CO)c1 ZINC000858415664 588952518 /nfs/dbraw/zinc/95/25/18/588952518.db2.gz VOUPXLUBQNUREJ-CQSZACIVSA-N 0 3 214.290 0.364 20 0 BCADHN CC(C)N1CC[C@@H](Nc2ccnc(CO)c2)C1=O ZINC000858412480 588952542 /nfs/dbraw/zinc/95/25/42/588952542.db2.gz LFDOQNUYOLVNOT-GFCCVEGCSA-N 0 3 249.314 0.995 20 0 BCADHN Cn1cc(CCCN[C@@]2(C)CCNC2=O)cn1 ZINC000897868468 584055335 /nfs/dbraw/zinc/05/53/35/584055335.db2.gz JHXSPTNLGSUKPQ-LBPRGKRZSA-N 0 3 236.319 0.221 20 0 BCADHN CO[C@@H](CN[C@@]1(C)CCNC1=O)C1CC1 ZINC000897869372 584056098 /nfs/dbraw/zinc/05/60/98/584056098.db2.gz QVUJNRXLLMXQKI-ONGXEEELSA-N 0 3 212.293 0.280 20 0 BCADHN CCc1cc(C(=O)NOCCN(C)C)no1 ZINC000897878196 584057160 /nfs/dbraw/zinc/05/71/60/584057160.db2.gz ZBPACZRMZNDOBW-UHFFFAOYSA-N 0 3 227.264 0.460 20 0 BCADHN Cn1cc([C@@H](O)CNc2ccnc(CO)c2)cn1 ZINC000858424174 588953184 /nfs/dbraw/zinc/95/31/84/588953184.db2.gz VGRXWAXYADYDIC-LBPRGKRZSA-N 0 3 248.286 0.453 20 0 BCADHN COCCCN(C)CCNc1nccnc1F ZINC000858423370 588953482 /nfs/dbraw/zinc/95/34/82/588953482.db2.gz DYYBAPOYTBGTGN-UHFFFAOYSA-N 0 3 242.298 0.996 20 0 BCADHN Cn1nccc1CNC1CC(CCO)C1 ZINC000898007900 584070296 /nfs/dbraw/zinc/07/02/96/584070296.db2.gz JUWAHTZSINHPIV-UHFFFAOYSA-N 0 3 209.293 0.671 20 0 BCADHN NC(=O)C[C@@H]1CCCN(c2ccnc(CO)c2)C1 ZINC000858432920 588954478 /nfs/dbraw/zinc/95/44/78/588954478.db2.gz XUNVAAZZHARBDO-JTQLQIEISA-N 0 3 249.314 0.666 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)NCCN1CCC[C@H]1C ZINC000898036520 584078872 /nfs/dbraw/zinc/07/88/72/584078872.db2.gz FKJJCPDGMJAXEC-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1occc1CNCCCc1nnnn1C ZINC000898037881 584079031 /nfs/dbraw/zinc/07/90/31/584079031.db2.gz YBONCCGRPMRGMV-UHFFFAOYSA-N 0 3 235.291 0.834 20 0 BCADHN C[C@@H](NCCCc1nnnn1C)c1ccccn1 ZINC000898039583 584079722 /nfs/dbraw/zinc/07/97/22/584079722.db2.gz AGDWKMLBNBRJDS-SNVBAGLBSA-N 0 3 246.318 0.889 20 0 BCADHN C[C@H](C(=O)NC(C)(C)c1cn[nH]n1)N(C)C ZINC000898145108 584086517 /nfs/dbraw/zinc/08/65/17/584086517.db2.gz URQHEJBYPNYJFS-SSDOTTSWSA-N 0 3 225.296 0.106 20 0 BCADHN O=S1(=O)CCC[C@@H](NCC[C@H](O)C2CC2)C1 ZINC000898203558 584090609 /nfs/dbraw/zinc/09/06/09/584090609.db2.gz XEFHBOKDQZJMQR-MNOVXSKESA-N 0 3 247.360 0.314 20 0 BCADHN Cn1nccc1CNCC[C@H](O)C1CC1 ZINC000898205413 584091874 /nfs/dbraw/zinc/09/18/74/584091874.db2.gz DIDAKBJQSVWYNI-NSHDSACASA-N 0 3 209.293 0.671 20 0 BCADHN CCn1nncc1CNCC[C@H](O)C1CC1 ZINC000898198380 584098394 /nfs/dbraw/zinc/09/83/94/584098394.db2.gz CVERMRLTEGVGNM-NSHDSACASA-N 0 3 224.308 0.549 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCC[C@@H](O)C1CC1 ZINC000898198471 584098428 /nfs/dbraw/zinc/09/84/28/584098428.db2.gz RFVMVHNFKLWQPY-PSASIEDQSA-N 0 3 235.349 0.170 20 0 BCADHN CNC(=O)[C@H]1CCC[C@@H]1Nc1ccnc(CO)c1 ZINC000858462035 588956941 /nfs/dbraw/zinc/95/69/41/588956941.db2.gz RJYCJLZELNTGAD-RYUDHWBXSA-N 0 3 249.314 0.901 20 0 BCADHN CCn1nncc1CN[C@H]1COC[C@H]1C1CC1 ZINC000898379707 584113245 /nfs/dbraw/zinc/11/32/45/584113245.db2.gz IFMWCPPHTWNWOX-RYUDHWBXSA-N 0 3 236.319 0.813 20 0 BCADHN C[C@H](CN1CCN(C)CC1)NCc1cn[nH]c1 ZINC000730109712 584123908 /nfs/dbraw/zinc/12/39/08/584123908.db2.gz VWFQEGYOHXGVFE-LLVKDONJSA-N 0 3 237.351 0.135 20 0 BCADHN C[C@H](C[S@@](C)=O)Nc1ccnc(CO)c1 ZINC000858482955 588959253 /nfs/dbraw/zinc/95/92/53/588959253.db2.gz XZFSCFOHMUIIQW-ANRSDYALSA-N 0 3 228.317 0.753 20 0 BCADHN C[C@H](C(=O)N1CC(N2CCCC2)C1)N(C)C ZINC000898598845 584144655 /nfs/dbraw/zinc/14/46/55/584144655.db2.gz DCPJEMNKYSSBSN-SNVBAGLBSA-N 0 3 225.336 0.243 20 0 BCADHN CC[C@@]1(O)CCN(c2ccnc(CO)c2)C1 ZINC000858491424 588960333 /nfs/dbraw/zinc/96/03/33/588960333.db2.gz HKAZONKIVMJYRD-GFCCVEGCSA-N 0 3 222.288 0.925 20 0 BCADHN OCc1cc(N2CC[C@@H](n3cncn3)C2)ccn1 ZINC000858490640 588960401 /nfs/dbraw/zinc/96/04/01/588960401.db2.gz ZXUDDZDQPDDYSN-GFCCVEGCSA-N 0 3 245.286 0.617 20 0 BCADHN Cc1cc([C@H](C)N[C@H]2C[C@H](C(N)=O)C2)n(C)n1 ZINC000858494633 588960456 /nfs/dbraw/zinc/96/04/56/588960456.db2.gz LSDVQSNRSGWPKZ-GUBZILKMSA-N 0 3 236.319 0.643 20 0 BCADHN CC[C@H](C(=O)N1CC(N2CCCC2)C1)N(C)C ZINC000898609289 584146375 /nfs/dbraw/zinc/14/63/75/584146375.db2.gz HVFAHZPMTNLANP-GFCCVEGCSA-N 0 3 239.363 0.633 20 0 BCADHN OCc1cc(N2CC(F)(F)C[C@H]2CO)ccn1 ZINC000858503192 588960872 /nfs/dbraw/zinc/96/08/72/588960872.db2.gz WBRYKRDRORIJJA-JTQLQIEISA-N 0 3 244.241 0.780 20 0 BCADHN O=C1C[C@@]2(CCN(c3ccnc(CO)c3)C2)CN1 ZINC000858519569 588962188 /nfs/dbraw/zinc/96/21/88/588962188.db2.gz GGFLESJHWUSHRX-ZDUSSCGKSA-N 0 3 247.298 0.290 20 0 BCADHN C[S@@](=O)C1(CNc2ccnc(CO)c2)CC1 ZINC000858529976 588963147 /nfs/dbraw/zinc/96/31/47/588963147.db2.gz RXGXXXRBEXDHKN-MRXNPFEDSA-N 0 3 240.328 0.897 20 0 BCADHN C[C@@H](Nc1ccnc(CO)c1)C(=O)NCCF ZINC000858530318 588963298 /nfs/dbraw/zinc/96/32/98/588963298.db2.gz AJBNYYDJWYAWDD-MRVPVSSYSA-N 0 3 241.266 0.460 20 0 BCADHN C[C@H](C(=O)N1CCC[C@H]1c1nnc[n-]1)[NH+](C)C ZINC000899107939 584175650 /nfs/dbraw/zinc/17/56/50/584175650.db2.gz ARKXRFBSNPZKSN-BDAKNGLRSA-N 0 3 237.307 0.418 20 0 BCADHN C[C@H](C(=O)N1CCC[C@H]1c1nc[nH]n1)N(C)C ZINC000899107939 584175651 /nfs/dbraw/zinc/17/56/51/584175651.db2.gz ARKXRFBSNPZKSN-BDAKNGLRSA-N 0 3 237.307 0.418 20 0 BCADHN C[C@]12CSC[C@H]1CN([C@H]1CC(=O)NC1=O)C2 ZINC000899254991 584186766 /nfs/dbraw/zinc/18/67/66/584186766.db2.gz KXMCHMTYUPHPSG-FYBVGQRMSA-N 0 3 240.328 0.086 20 0 BCADHN C(=C1CNC1)c1cnc2c(c1)OCCO2 ZINC000899327513 584197913 /nfs/dbraw/zinc/19/79/13/584197913.db2.gz COTKDHCHZSFXOY-UHFFFAOYSA-N 0 3 204.229 0.839 20 0 BCADHN C/C(=C/Cl)CS(=O)(=O)C(C)C(N)=O ZINC000899488863 584218388 /nfs/dbraw/zinc/21/83/88/584218388.db2.gz FJVFITYCEOZUKS-LMXCLXGDSA-N 0 3 225.697 0.418 20 0 BCADHN C/C(=C\Cl)CS(=O)(=O)C(C)C(N)=O ZINC000899488866 584218455 /nfs/dbraw/zinc/21/84/55/584218455.db2.gz FJVFITYCEOZUKS-QVQDZQDPSA-N 0 3 225.697 0.418 20 0 BCADHN CCNC(=S)NC[C@H](CN(C)C)OCC ZINC000899567706 584219724 /nfs/dbraw/zinc/21/97/24/584219724.db2.gz ZHTUESPUWMQPQW-SECBINFHSA-N 0 3 233.381 0.437 20 0 BCADHN CCCNC(=S)NC[C@@H](CN(C)C)OCC ZINC000899567404 584219772 /nfs/dbraw/zinc/21/97/72/584219772.db2.gz WTVOKQSVIKHLTB-JTQLQIEISA-N 0 3 247.408 0.827 20 0 BCADHN CO[C@H]1CC[C@H]1N(C)C(=S)NCCN(C)C ZINC000899660262 584222865 /nfs/dbraw/zinc/22/28/65/584222865.db2.gz RGBYXBBNUMIUHL-ZJUUUORDSA-N 0 3 245.392 0.532 20 0 BCADHN CC[C@H](Nc1ccnc(CO)c1)C(=O)NC ZINC000858564803 588966876 /nfs/dbraw/zinc/96/68/76/588966876.db2.gz CPFMGBAEZCRGQP-JTQLQIEISA-N 0 3 223.276 0.510 20 0 BCADHN CC[C@@H](Nc1ccnc(CO)c1)C(=O)NC ZINC000858564804 588966942 /nfs/dbraw/zinc/96/69/42/588966942.db2.gz CPFMGBAEZCRGQP-SNVBAGLBSA-N 0 3 223.276 0.510 20 0 BCADHN CN(C)C(=O)[C@@H]1CCN(c2ccnc(CO)c2)C1 ZINC000858567578 588967059 /nfs/dbraw/zinc/96/70/59/588967059.db2.gz FRYJXNPXERBOGZ-SNVBAGLBSA-N 0 3 249.314 0.488 20 0 BCADHN O=C1NCCC[C@@H]1CNc1ccnc(CO)c1 ZINC000858569101 588967244 /nfs/dbraw/zinc/96/72/44/588967244.db2.gz ZHXASMMLGPYGFP-SECBINFHSA-N 0 3 235.287 0.512 20 0 BCADHN Cc1ccncc1C(=O)NCCN(C)CCO ZINC000899735064 584232089 /nfs/dbraw/zinc/23/20/89/584232089.db2.gz VIUBPPUMBIKESN-UHFFFAOYSA-N 0 3 237.303 0.044 20 0 BCADHN COCCC(C)(C)C(=O)NCCN(C)CCO ZINC000899737243 584232411 /nfs/dbraw/zinc/23/24/11/584232411.db2.gz FQYXYLKOKOUQPZ-UHFFFAOYSA-N 0 3 246.351 0.089 20 0 BCADHN CN(CCO)CCNC(=O)CC1(C)CCCC1 ZINC000899738545 584232500 /nfs/dbraw/zinc/23/25/00/584232500.db2.gz GBHZDRFSHAGHOE-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN CN(CCO)CCNC(=O)C(C)(C)C(F)F ZINC000899737257 584232687 /nfs/dbraw/zinc/23/26/87/584232687.db2.gz DZRROKANVCDWKV-UHFFFAOYSA-N 0 3 238.278 0.318 20 0 BCADHN CC[C@H](C)CC(=O)NCCN(C)CCO ZINC000899738311 584232783 /nfs/dbraw/zinc/23/27/83/584232783.db2.gz YOTJCWHIAWBFGH-JTQLQIEISA-N 0 3 216.325 0.463 20 0 BCADHN CN(CCO)CCNC(=O)[C@@H]1CCCCS1 ZINC000899737439 584233113 /nfs/dbraw/zinc/23/31/13/584233113.db2.gz JPKAQWTUZBXEHG-JTQLQIEISA-N 0 3 246.376 0.312 20 0 BCADHN C[C@@H]1CCC[C@H]1CC(=O)NCCN(C)CCO ZINC000899737619 584233143 /nfs/dbraw/zinc/23/31/43/584233143.db2.gz MCOFYCFZPUHRAV-NEPJUHHUSA-N 0 3 242.363 0.853 20 0 BCADHN NC(=O)CC1(CNc2ccnc(CO)c2)CC1 ZINC000858572716 588967573 /nfs/dbraw/zinc/96/75/73/588967573.db2.gz RSEBJMHFNBYKHV-UHFFFAOYSA-N 0 3 235.287 0.641 20 0 BCADHN CC[C@@H](C)CCC(=O)NCCN(C)CCO ZINC000899739397 584233872 /nfs/dbraw/zinc/23/38/72/584233872.db2.gz XBFLPCUPPDVBHD-LLVKDONJSA-N 0 3 230.352 0.853 20 0 BCADHN Cc1sccc1C(=O)NCCN(C)CCO ZINC000899739418 584233898 /nfs/dbraw/zinc/23/38/98/584233898.db2.gz YBPFFWHLVHXVDE-UHFFFAOYSA-N 0 3 242.344 0.710 20 0 BCADHN C[C@H]1CCCC[C@H]1C(=O)NCCN(C)CCO ZINC000899740730 584234048 /nfs/dbraw/zinc/23/40/48/584234048.db2.gz MYBLHSLCGOPKRN-NWDGAFQWSA-N 0 3 242.363 0.853 20 0 BCADHN CN(CCO)CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000899740137 584234098 /nfs/dbraw/zinc/23/40/98/584234098.db2.gz FCXPYVCKJCIBJC-IJLUTSLNSA-N 0 3 240.347 0.463 20 0 BCADHN CN(CCO)CCNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000899741374 584234771 /nfs/dbraw/zinc/23/47/71/584234771.db2.gz VDAATEHWRFLZDB-PTEHBNRSSA-N 0 3 240.347 0.463 20 0 BCADHN CCCCO[C@H](C)C(=O)NCCN(C)CCO ZINC000899733156 584234970 /nfs/dbraw/zinc/23/49/70/584234970.db2.gz UIFHVCBDGRTKQU-LLVKDONJSA-N 0 3 246.351 0.232 20 0 BCADHN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCCN(C)CCO ZINC000899742158 584235176 /nfs/dbraw/zinc/23/51/76/584235176.db2.gz PSOXZFNITWMRFK-NOOOWODRSA-N 0 3 240.347 0.319 20 0 BCADHN CSCCCC(=O)NCCN(C)CCO ZINC000899733676 584235785 /nfs/dbraw/zinc/23/57/85/584235785.db2.gz HMTDMINQYTVAQU-UHFFFAOYSA-N 0 3 234.365 0.170 20 0 BCADHN C[C@@H](O)[C@@H]1CN(c2ccnc(CO)c2)CCO1 ZINC000858572941 588967910 /nfs/dbraw/zinc/96/79/10/588967910.db2.gz YFGHVBJKLFMGKW-SKDRFNHKSA-N 0 3 238.287 0.160 20 0 BCADHN Cc1ccc(CNC[C@@H](O)C2(O)CCC2)cn1 ZINC000899871621 584244835 /nfs/dbraw/zinc/24/48/35/584244835.db2.gz RMTWJCAOSMFETL-GFCCVEGCSA-N 0 3 236.315 0.756 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1CC[C@@H]1C ZINC000858580057 588968602 /nfs/dbraw/zinc/96/86/02/588968602.db2.gz JTZSXUNKPIAMGM-CIUDSAMLSA-N 0 3 200.282 0.783 20 0 BCADHN CC1(C)CN(C[C@H](O)C2(O)CCOCC2)C1 ZINC000899883733 584246748 /nfs/dbraw/zinc/24/67/48/584246748.db2.gz RPQWGVORKVRNHY-JTQLQIEISA-N 0 3 229.320 0.231 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CC[C@@H]1C ZINC000858580061 588969003 /nfs/dbraw/zinc/96/90/03/588969003.db2.gz JTZSXUNKPIAMGM-XHNCKOQMSA-N 0 3 200.282 0.783 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)NCCN(C)C ZINC000899920381 584252295 /nfs/dbraw/zinc/25/22/95/584252295.db2.gz NMIQFLGFXYLJFH-BDAKNGLRSA-N 0 3 202.298 0.071 20 0 BCADHN CC(C)CNC(=O)c1ccnn1CCN(C)C ZINC000899924957 584255563 /nfs/dbraw/zinc/25/55/63/584255563.db2.gz CQPZTLPIVKVZFA-UHFFFAOYSA-N 0 3 238.335 0.831 20 0 BCADHN CCCNC(=O)c1ccnn1CCN(C)C ZINC000899932387 584257198 /nfs/dbraw/zinc/25/71/98/584257198.db2.gz NUTJDMDBTXPJJV-UHFFFAOYSA-N 0 3 224.308 0.585 20 0 BCADHN COC(=O)CNC(=O)[C@@H]1CC[C@@H]2CCCCN21 ZINC000899934997 584257725 /nfs/dbraw/zinc/25/77/25/584257725.db2.gz GJPCKOOVFGPIOG-UWVGGRQHSA-N 0 3 240.303 0.293 20 0 BCADHN CN(C)c1noc(-c2cc3n(n2)CCC[C@@H]3N)n1 ZINC000900004585 584263353 /nfs/dbraw/zinc/26/33/53/584263353.db2.gz MCTKEYZLTJRSAE-ZETCQYMHSA-N 0 3 248.290 0.793 20 0 BCADHN C/C=C/[C@H](O)C(=O)NC[C@@H]1CCCN1CC ZINC000900010190 584265390 /nfs/dbraw/zinc/26/53/90/584265390.db2.gz UPFYSRDVFWILOL-LUSJXZINSA-N 0 3 226.320 0.524 20 0 BCADHN C/C=C\[C@H](O)C(=O)NC[C@H]1CCCN1CC ZINC000900010189 584265654 /nfs/dbraw/zinc/26/56/54/584265654.db2.gz UPFYSRDVFWILOL-APUFIWCYSA-N 0 3 226.320 0.524 20 0 BCADHN O=C(CCc1cn[nH]c1)NCCN1CCCC1 ZINC000900011574 584266286 /nfs/dbraw/zinc/26/62/86/584266286.db2.gz VKTHEJOECSQFRQ-UHFFFAOYSA-N 0 3 236.319 0.554 20 0 BCADHN O=C(Cc1c[nH]cn1)NCCN1CCCC1 ZINC000900011211 584266299 /nfs/dbraw/zinc/26/62/99/584266299.db2.gz OGXUYCPSSSIDKR-UHFFFAOYSA-N 0 3 222.292 0.164 20 0 BCADHN C/C=C/[C@H](O)C(=O)NC1CCN(C2CC2)CC1 ZINC000900054010 584268659 /nfs/dbraw/zinc/26/86/59/584268659.db2.gz KFNKEBZBFZYBFR-JDGPPOGSSA-N 0 3 238.331 0.666 20 0 BCADHN CCC[C@@H]1NC(=O)N(C[C@H]2CCCN2C)C1=O ZINC000900125457 584275927 /nfs/dbraw/zinc/27/59/27/584275927.db2.gz UZLCSULLXDLHMX-ZJUUUORDSA-N 0 3 239.319 0.801 20 0 BCADHN CO[C@](C)(CO)CNc1ccnc(CO)c1 ZINC000858615718 588971132 /nfs/dbraw/zinc/97/11/32/588971132.db2.gz WBHWCQKESRFMKY-NSHDSACASA-N 0 3 226.276 0.383 20 0 BCADHN Nc1nc(N)nc(N[C@H]2COC3(CCC3)C2)n1 ZINC000858626104 588971483 /nfs/dbraw/zinc/97/14/83/588971483.db2.gz OWNARNHZMIBVHL-ZCFIWIBFSA-N 0 3 236.279 0.160 20 0 BCADHN C[C@H](Cn1ccnc1)NC(=O)c1[nH]ncc1F ZINC000900215278 584286647 /nfs/dbraw/zinc/28/66/47/584286647.db2.gz MEGJLHLMLYSMQX-SSDOTTSWSA-N 0 3 237.238 0.564 20 0 BCADHN Cc1nccc(CNC(=O)C23CCN(CC2)C3)n1 ZINC000900292516 584291657 /nfs/dbraw/zinc/29/16/57/584291657.db2.gz ZWSCMKAOCVXGDA-UHFFFAOYSA-N 0 3 246.314 0.497 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)NCCN(C)C1CC1 ZINC000900366705 584296772 /nfs/dbraw/zinc/29/67/72/584296772.db2.gz DRVKULOXYZJSOI-KOLCDFICSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1CN(c2cc(Cl)nc(N)n2)C[C@H](C)N1 ZINC000858632002 588972449 /nfs/dbraw/zinc/97/24/49/588972449.db2.gz KOKCBVTULIFIPQ-KNVOCYPGSA-N 0 3 241.726 0.899 20 0 BCADHN CCC/C=C\[C@@H](O)C(=O)NCCN(C)C1CC1 ZINC000900368022 584297654 /nfs/dbraw/zinc/29/76/54/584297654.db2.gz YOLFLRBPWMFQHS-FOQNGQEVSA-N 0 3 240.347 0.914 20 0 BCADHN O=C(CCF)N[C@@H]1CCN(C2CC2)C1 ZINC000900372083 584298133 /nfs/dbraw/zinc/29/81/33/584298133.db2.gz OBZSYVRIYBYBTF-MRVPVSSYSA-N 0 3 200.257 0.699 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000900372495 584298182 /nfs/dbraw/zinc/29/81/82/584298182.db2.gz SVUPAUARITWCTE-NHCYSSNCSA-N 0 3 240.347 0.746 20 0 BCADHN CC(F)(F)C(=O)[N-][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000900478725 584315560 /nfs/dbraw/zinc/31/55/60/584315560.db2.gz UGYWNPNSDCFAOE-RRKCRQDMSA-N 0 3 204.220 0.651 20 0 BCADHN Cc1ccc(NC(=O)C(=O)NCC2(N)CC2)cc1 ZINC000900475074 584317762 /nfs/dbraw/zinc/31/77/62/584317762.db2.gz RAOGCWMNDDEBRX-UHFFFAOYSA-N 0 3 247.298 0.541 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1n[nH]cc1F ZINC000900522701 584318462 /nfs/dbraw/zinc/31/84/62/584318462.db2.gz GVILNAZOXFSPCL-QMMMGPOBSA-N 0 3 240.282 0.715 20 0 BCADHN CN(C[C@H]1CCCO1)C(=O)C12CCN(CC1)C2 ZINC000900511671 584320091 /nfs/dbraw/zinc/32/00/91/584320091.db2.gz GHYMOWFIWIOZOQ-LLVKDONJSA-N 0 3 238.331 0.720 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2n[nH]cc2F)C1 ZINC000900526519 584320274 /nfs/dbraw/zinc/32/02/74/584320274.db2.gz DERQDBDXJLHDTO-MRVPVSSYSA-N 0 3 240.282 0.715 20 0 BCADHN CO[C@@H]1CCCN(C(=O)C23CCN(CC2)C3)C1 ZINC000900547803 584321465 /nfs/dbraw/zinc/32/14/65/584321465.db2.gz 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CO[C@@H]1CCC[C@H]1NC[C@@H](O)c1ccnn1C ZINC000903225089 584736018 /nfs/dbraw/zinc/73/60/18/584736018.db2.gz COWOAOKSOBIOEG-YUSALJHKSA-N 0 3 239.319 0.611 20 0 BCADHN CS(=O)(=O)C[C@H](O)CNC1CC2(CCC2)C1 ZINC000903226889 584736865 /nfs/dbraw/zinc/73/68/65/584736865.db2.gz NBYQDLCLGMCCEJ-SNVBAGLBSA-N 0 3 247.360 0.314 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000903265467 584738856 /nfs/dbraw/zinc/73/88/56/584738856.db2.gz LBCLCOYPCZNWTR-GDPRMGEGSA-N 0 3 247.360 0.577 20 0 BCADHN C[C@H](N[C@H]1CCN(C)[C@@H]1C)c1ccc(=O)[nH]n1 ZINC000903302154 584744703 /nfs/dbraw/zinc/74/47/03/584744703.db2.gz WZJXGJUUHGPMIN-NGZCFLSTSA-N 0 3 236.319 0.925 20 0 BCADHN C[C@@H](NC1CC(CCO)C1)c1cnnn1C ZINC000903333382 584751001 /nfs/dbraw/zinc/75/10/01/584751001.db2.gz PNUXKBFUFPNFBJ-XNWIYYODSA-N 0 3 224.308 0.627 20 0 BCADHN C[C@@H](NCCCc1nnnn1C)c1cn(C)cn1 ZINC000903351103 584755458 /nfs/dbraw/zinc/75/54/58/584755458.db2.gz HOYQKFLQYPVLKJ-SECBINFHSA-N 0 3 249.322 0.227 20 0 BCADHN C[C@@H](C[C@@H]1CCC(=O)N1)NCc1cn(C)cn1 ZINC000903351532 584755568 /nfs/dbraw/zinc/75/55/68/584755568.db2.gz LNPYFOJWVUQWAL-UWVGGRQHSA-N 0 3 236.319 0.567 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NCC[C@@H](O)C1CC1 ZINC000903407180 584758550 /nfs/dbraw/zinc/75/85/50/584758550.db2.gz MTFROZGOQMXOHO-NXEZZACHSA-N 0 3 226.320 0.262 20 0 BCADHN C[C@@H](NCC[C@@H](O)C1CC1)c1cnnn1C ZINC000903406177 584758688 /nfs/dbraw/zinc/75/86/88/584758688.db2.gz HERTVULHOBLMQF-LDYMZIIASA-N 0 3 224.308 0.627 20 0 BCADHN COC1(OC)CC[C@@H]1NCC[C@H](O)C1CC1 ZINC000903410976 584759637 /nfs/dbraw/zinc/75/96/37/584759637.db2.gz KMSBUKVFUVCVSM-QWRGUYRKSA-N 0 3 229.320 0.889 20 0 BCADHN C[C@H](N[C@H]1COC[C@H]1C1CC1)c1cnnn1C ZINC000903441231 584763282 /nfs/dbraw/zinc/76/32/82/584763282.db2.gz ZORNTDDBHBGKAZ-LSJOCFKGSA-N 0 3 236.319 0.891 20 0 BCADHN O=S(=O)([N-][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccco1 ZINC000903563858 584782024 /nfs/dbraw/zinc/78/20/24/584782024.db2.gz JQMPEFVTVLYEBR-HRDYMLBCSA-N 0 3 242.300 0.451 20 0 BCADHN C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1CNC1 ZINC000903582143 584783356 /nfs/dbraw/zinc/78/33/56/584783356.db2.gz TWAUKHQAKGDMMA-PSASIEDQSA-N 0 3 230.333 0.232 20 0 BCADHN C[C@H]1OCC[C@@H]1NCc1cc(N)ccn1 ZINC000903949870 584829974 /nfs/dbraw/zinc/82/99/74/584829974.db2.gz FZNQVYOTQGQUMW-KCJUWKMLSA-N 0 3 207.277 0.931 20 0 BCADHN O=C(N[C@H]1CCCN(CCCO)C1)OCCF ZINC000859175121 589013749 /nfs/dbraw/zinc/01/37/49/589013749.db2.gz KUPGBLTUFKQKFK-JTQLQIEISA-N 0 3 248.298 0.529 20 0 BCADHN Cc1nn(C)cc1CNCc1cc(N)ccn1 ZINC000903950865 584830599 /nfs/dbraw/zinc/83/05/99/584830599.db2.gz SKDWBOBCLGGTSY-UHFFFAOYSA-N 0 3 231.303 0.996 20 0 BCADHN CCN(CCC(N)=O)Cc1cnc(N)s1 ZINC000903988853 584835818 /nfs/dbraw/zinc/83/58/18/584835818.db2.gz YYZUCBIYMGHWRM-UHFFFAOYSA-N 0 3 228.321 0.423 20 0 BCADHN CCN1C[C@H](C)N(Cc2ccc(N)nn2)C[C@H]1C ZINC000904340407 584866809 /nfs/dbraw/zinc/86/68/09/584866809.db2.gz INZVRZNXTLDYFJ-MNOVXSKESA-N 0 3 249.362 0.973 20 0 BCADHN COCCNCCNCc1nccn1C1CC1 ZINC000904353037 584870011 /nfs/dbraw/zinc/87/00/11/584870011.db2.gz GRCXDCUXYPGFLP-UHFFFAOYSA-N 0 3 238.335 0.544 20 0 BCADHN COC(=O)C(C)(C)CNCc1ccc(N)nn1 ZINC000904367989 584872583 /nfs/dbraw/zinc/87/25/83/584872583.db2.gz MDYDAZHVBTXKGQ-UHFFFAOYSA-N 0 3 238.291 0.348 20 0 BCADHN Cc1ccnn1CC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000876832644 584887487 /nfs/dbraw/zinc/88/74/87/584887487.db2.gz QLKLROYCHKXTGR-MNOVXSKESA-N 0 3 236.319 0.400 20 0 BCADHN O=C(CN[C@@H]1CCCOC1)NCc1ccco1 ZINC000346176898 584892791 /nfs/dbraw/zinc/89/27/91/584892791.db2.gz IECMJRZVILAYAT-SNVBAGLBSA-N 0 3 238.287 0.664 20 0 BCADHN O=C(COC1CNC1)Nc1cc(F)cc(F)c1 ZINC000429780721 584894485 /nfs/dbraw/zinc/89/44/85/584894485.db2.gz FAWWHSXAIVNKON-UHFFFAOYSA-N 0 3 242.225 0.892 20 0 BCADHN CCN(CCC(=O)NC)C(=O)CN1CCCC1 ZINC000888267689 584907262 /nfs/dbraw/zinc/90/72/62/584907262.db2.gz RVQWBSLQAWCLAK-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN CCCCCCN1C(C)C(=O)N(C)S1(=O)=O ZINC000829558586 584907556 /nfs/dbraw/zinc/90/75/56/584907556.db2.gz ADGDFOKXLSYILG-SECBINFHSA-N 0 3 248.348 0.974 20 0 BCADHN CCC[C@H](O)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000829569209 584907596 /nfs/dbraw/zinc/90/75/96/584907596.db2.gz ADIMSJJMPKIFOD-WOPDTQHZSA-N 0 3 240.347 0.843 20 0 BCADHN COCCN1CC[C@@H](NC(=S)NC(C)C)C1 ZINC000730733705 584914682 /nfs/dbraw/zinc/91/46/82/584914682.db2.gz LTKSVPNEPKHILD-SNVBAGLBSA-N 0 3 245.392 0.580 20 0 BCADHN CN1CCC[C@@H](NC(=O)C2=COCCC2)C1 ZINC000730777095 584915506 /nfs/dbraw/zinc/91/55/06/584915506.db2.gz FKUZYKQQZFSHKJ-LLVKDONJSA-N 0 3 224.304 0.891 20 0 BCADHN CC(C)c1nccc(NC[C@@H](O)CN(C)C)n1 ZINC000731920412 584931417 /nfs/dbraw/zinc/93/14/17/584931417.db2.gz HJSUJDKUZISWMK-SNVBAGLBSA-N 0 3 238.335 0.934 20 0 BCADHN CN(C)C[C@H](O)CNc1ccnc(C2CC2)n1 ZINC000731920721 584931461 /nfs/dbraw/zinc/93/14/61/584931461.db2.gz SDGJTOPDCFXFNN-SNVBAGLBSA-N 0 3 236.319 0.688 20 0 BCADHN CCCCN[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000732229178 584934736 /nfs/dbraw/zinc/93/47/36/584934736.db2.gz WJTJGJHCJZRLGW-NSHDSACASA-N 0 3 236.319 0.915 20 0 BCADHN CN(C)CCNC(=S)NC[C@]1(C)CCOC1 ZINC000733082751 584943048 /nfs/dbraw/zinc/94/30/48/584943048.db2.gz FJILSLGVDLEICT-NSHDSACASA-N 0 3 245.392 0.439 20 0 BCADHN CCN1CCN([C@H](C)CNC(=O)OC)CC1 ZINC000733161148 584943787 /nfs/dbraw/zinc/94/37/87/584943787.db2.gz IPWIRJMYPLBFKO-SNVBAGLBSA-N 0 3 229.324 0.368 20 0 BCADHN CN(CN1CCCC1=O)[C@@H]1CCN(C2CC2)C1 ZINC000733296367 584946506 /nfs/dbraw/zinc/94/65/06/584946506.db2.gz MOVCVESMOIHFGS-GFCCVEGCSA-N 0 3 237.347 0.735 20 0 BCADHN CC(C)(O)CN1CCN(C[C@@H](O)C2CC2)CC1 ZINC000734150184 584957496 /nfs/dbraw/zinc/95/74/96/584957496.db2.gz SABNJMDNKYVTKD-GFCCVEGCSA-N 0 3 242.363 0.146 20 0 BCADHN OCCCCN1CCN(C[C@H](O)C2CC2)CC1 ZINC000734149957 584957536 /nfs/dbraw/zinc/95/75/36/584957536.db2.gz NTOJNKFMDAOVOM-ZDUSSCGKSA-N 0 3 242.363 0.147 20 0 BCADHN O=C(NCCN1CCCC1)C1=COCC1 ZINC000734121510 584958025 /nfs/dbraw/zinc/95/80/25/584958025.db2.gz LVUOFVOKAZHTHN-UHFFFAOYSA-N 0 3 210.277 0.503 20 0 BCADHN NC(=O)c1ccc(CN[C@H](CO)C2CC2)cc1 ZINC000734160477 584959262 /nfs/dbraw/zinc/95/92/62/584959262.db2.gz CAOBCALNXHAPSS-GFCCVEGCSA-N 0 3 234.299 0.646 20 0 BCADHN COC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000735058586 584972201 /nfs/dbraw/zinc/97/22/01/584972201.db2.gz TZUKHPQTHCRBBP-QMMMGPOBSA-N 0 3 202.254 0.015 20 0 BCADHN Cc1nonc1CNC(=O)[C@H](C(C)C)N(C)C ZINC000735819768 584982080 /nfs/dbraw/zinc/98/20/80/584982080.db2.gz ZWYLEHPCSMCZQP-JTQLQIEISA-N 0 3 240.307 0.580 20 0 BCADHN CN(CCS(N)(=O)=O)C1CCCCC1 ZINC000735884308 584983633 /nfs/dbraw/zinc/98/36/33/584983633.db2.gz XLDUUBWXVZFHRN-UHFFFAOYSA-N 0 3 220.338 0.539 20 0 BCADHN CN(C)C1(CNC(=O)[C@H](O)c2ccccc2)CC1 ZINC000841455572 584990640 /nfs/dbraw/zinc/99/06/40/584990640.db2.gz UYMRYLLXMPZCDV-GFCCVEGCSA-N 0 3 248.326 0.930 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1COCC[C@H]1OC)N(C)C ZINC000889185759 584992807 /nfs/dbraw/zinc/99/28/07/584992807.db2.gz VNVUBCFSNYVQCG-GMTAPVOTSA-N 0 3 244.335 0.247 20 0 BCADHN CN1CCC2(CCN2C(=O)[C@@H](O)C2CC2)CC1 ZINC000889222958 585001146 /nfs/dbraw/zinc/00/11/46/585001146.db2.gz HUIMBTJIHKGFSI-NSHDSACASA-N 0 3 238.331 0.454 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)c1cnc[nH]1 ZINC000736560132 585005839 /nfs/dbraw/zinc/00/58/39/585005839.db2.gz LRMVWGOHHGLMBT-SNVBAGLBSA-N 0 3 224.308 0.726 20 0 BCADHN C[C@H](O)CN1CCC(C[N@H+](C)CC(=O)[O-])CC1 ZINC000736676428 585009180 /nfs/dbraw/zinc/00/91/80/585009180.db2.gz HRRYIOZWKMXUSL-JTQLQIEISA-N 0 3 244.335 0.096 20 0 BCADHN C[C@H](O)CN1CCC(C[N@@H+](C)CC(=O)[O-])CC1 ZINC000736676428 585009181 /nfs/dbraw/zinc/00/91/81/585009181.db2.gz HRRYIOZWKMXUSL-JTQLQIEISA-N 0 3 244.335 0.096 20 0 BCADHN C[C@@H](CCCO)CNC(=S)NCCN(C)C ZINC000840781553 585021692 /nfs/dbraw/zinc/02/16/92/585021692.db2.gz FTSZYTLPJROVGL-JTQLQIEISA-N 0 3 247.408 0.421 20 0 BCADHN CCC1(COC(=O)C2CCN(C)C2=O)COC1 ZINC000774166726 585027400 /nfs/dbraw/zinc/02/74/00/585027400.db2.gz WWKZLMTURSZWDN-VIFPVBQESA-N 0 3 241.287 0.435 20 0 BCADHN CC[C@H](OC)c1nc(N2CCNCC2)no1 ZINC000823334940 585028169 /nfs/dbraw/zinc/02/81/69/585028169.db2.gz NXZDWCKUZJZBMN-QMMMGPOBSA-N 0 3 226.280 0.577 20 0 BCADHN CO[C@H]1C[C@@H](OC(=O)C2CCN(C)C2=O)C1 ZINC000809111908 585030551 /nfs/dbraw/zinc/03/05/51/585030551.db2.gz AAGBVPZUYXJFDB-HRDYMLBCSA-N 0 3 227.260 0.185 20 0 BCADHN COCCCN(C)CCNC(=O)N(C)CCF ZINC000838492130 585059492 /nfs/dbraw/zinc/05/94/92/585059492.db2.gz PJFMLYYRVDNZJG-UHFFFAOYSA-N 0 3 249.330 0.566 20 0 BCADHN CCn1ncc(CN2CCCN(C)CC2)n1 ZINC000838781097 585069649 /nfs/dbraw/zinc/06/96/49/585069649.db2.gz OSMONZQHHHWCHG-UHFFFAOYSA-N 0 3 223.324 0.436 20 0 BCADHN O[C@H](CN1CCCC[C@@H]1C1OCCO1)C1CC1 ZINC000838816194 585071574 /nfs/dbraw/zinc/07/15/74/585071574.db2.gz CVBMYNVRQKTFBT-VXGBXAGGSA-N 0 3 241.331 0.985 20 0 BCADHN OCC[C@@H]1CSCCN1C[C@H](O)C1CC1 ZINC000838870934 585077021 /nfs/dbraw/zinc/07/70/21/585077021.db2.gz RFYUEUGVHZWABL-MNOVXSKESA-N 0 3 231.361 0.557 20 0 BCADHN COC(=O)CC1(NCC2OCCO2)CCC1 ZINC000838920086 585078355 /nfs/dbraw/zinc/07/83/55/585078355.db2.gz VVLGDLUWPQOSHV-UHFFFAOYSA-N 0 3 229.276 0.435 20 0 BCADHN CCN(CCNCc1cnn(CC)n1)C1CC1 ZINC000838923611 585078483 /nfs/dbraw/zinc/07/84/83/585078483.db2.gz VKXAXWNYFBANRJ-UHFFFAOYSA-N 0 3 237.351 0.872 20 0 BCADHN O[C@H](CN1CCCC2(C1)OCCO2)C1CC1 ZINC000838897304 585079354 /nfs/dbraw/zinc/07/93/54/585079354.db2.gz FKAIYNVHJFCAIJ-LLVKDONJSA-N 0 3 227.304 0.596 20 0 BCADHN C[C@@H]1CCN(C[C@@H](O)C2CC2)[C@H](C(N)=O)C1 ZINC000838942010 585081908 /nfs/dbraw/zinc/08/19/08/585081908.db2.gz SFNANXFQZPBPJW-DVVUODLYSA-N 0 3 226.320 0.343 20 0 BCADHN CCn1ncc(CNC[C@H](C)N(C)C2CC2)n1 ZINC000838940019 585081918 /nfs/dbraw/zinc/08/19/18/585081918.db2.gz GILNDHWBMZZQOV-JTQLQIEISA-N 0 3 237.351 0.870 20 0 BCADHN CCn1ncc(CN[C@H]2CN(C3CC3)C[C@H]2C)n1 ZINC000838981405 585084104 /nfs/dbraw/zinc/08/41/04/585084104.db2.gz PWNCEHSKPWWIGB-MFKMUULPSA-N 0 3 249.362 0.870 20 0 BCADHN CCNC(=O)[C@@H](NC[C@@H](O)C1CC1)C(C)C ZINC000839024989 585088122 /nfs/dbraw/zinc/08/81/22/585088122.db2.gz DSWMDFPRMLNSFS-MNOVXSKESA-N 0 3 228.336 0.508 20 0 BCADHN O=C1NCCC[C@@H]1CNCc1ccoc1 ZINC000839195286 585098655 /nfs/dbraw/zinc/09/86/55/585098655.db2.gz GCBDHIMRKPRRTJ-SNVBAGLBSA-N 0 3 208.261 0.895 20 0 BCADHN CCOC(=O)CCCCN(CC)CC(=O)NC ZINC000740423336 585101650 /nfs/dbraw/zinc/10/16/50/585101650.db2.gz HDJQCBFQFOIUNA-UHFFFAOYSA-N 0 3 244.335 0.788 20 0 BCADHN Cn1ccnc1C(=O)NC[C@@H]1CCCN1C ZINC000741262405 585112165 /nfs/dbraw/zinc/11/21/65/585112165.db2.gz DCUHMHBZRBQAEJ-VIFPVBQESA-N 0 3 222.292 0.244 20 0 BCADHN CNC(=S)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000741493628 585114979 /nfs/dbraw/zinc/11/49/79/585114979.db2.gz SPNSVOYRIIRTKP-IUCAKERBSA-N 0 3 215.366 0.905 20 0 BCADHN C[C@H]1CCCN(CCS(N)(=O)=O)[C@H]1C ZINC000741790287 585119097 /nfs/dbraw/zinc/11/90/97/585119097.db2.gz GAMJFCLMSYNNGS-IUCAKERBSA-N 0 3 220.338 0.395 20 0 BCADHN NC(=O)[C@@H]1CCCN1C[C@@H]1C[C@]12CCOC2 ZINC000886298673 585119918 /nfs/dbraw/zinc/11/99/18/585119918.db2.gz GUHGHCYVRQODFM-NHCYSSNCSA-N 0 3 224.304 0.363 20 0 BCADHN CCOCC(=O)N1CCC12CCN(C)CC2 ZINC000742186518 585122484 /nfs/dbraw/zinc/12/24/84/585122484.db2.gz DKIVQQASADHCBK-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN Cc1cnc(C(=O)NCCN2CCC[C@@H]2C)cn1 ZINC000742241545 585123991 /nfs/dbraw/zinc/12/39/91/585123991.db2.gz PJWQKFOVLXVBEO-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN C[C@H]1NC(=S)N(CCN2CCC[C@@H]2C)C1=O ZINC000742256714 585124406 /nfs/dbraw/zinc/12/44/06/585124406.db2.gz UBNJMNYXXOGAIA-DTWKUNHWSA-N 0 3 241.360 0.576 20 0 BCADHN C[C@@H]1CCCN1CCNc1nccn(C)c1=O ZINC000742427851 585125920 /nfs/dbraw/zinc/12/59/20/585125920.db2.gz RMGLRHGECGCTBE-SNVBAGLBSA-N 0 3 236.319 0.677 20 0 BCADHN CCCCCCN(C)CC(=O)NCCC(N)=O ZINC000743308433 585135076 /nfs/dbraw/zinc/13/50/76/585135076.db2.gz FBJRDCLXDMARLF-UHFFFAOYSA-N 0 3 243.351 0.490 20 0 BCADHN COCCOC[C@@H](C)N[C@@H]1CCCCNC1=O ZINC000743479181 585137548 /nfs/dbraw/zinc/13/75/48/585137548.db2.gz CYKRXILHJYCJFD-GHMZBOCLSA-N 0 3 244.335 0.296 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2ncccn2)CCN1C ZINC000743638581 585138534 /nfs/dbraw/zinc/13/85/34/585138534.db2.gz RQICIKRHXRCNDV-UWVGGRQHSA-N 0 3 234.303 0.689 20 0 BCADHN NS(=O)(=O)CCN1C2CCCC1CCC2 ZINC000743851768 585140694 /nfs/dbraw/zinc/14/06/94/585140694.db2.gz MUUCDMSQYKRADV-UHFFFAOYSA-N 0 3 232.349 0.682 20 0 BCADHN C[C@@H]1COCCN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000859207005 589019199 /nfs/dbraw/zinc/01/91/99/589019199.db2.gz KOQMDONZRIQDKK-RYUDHWBXSA-N 0 3 243.347 0.621 20 0 BCADHN COCCNC(=S)NCCN1CC[C@H](C)C1 ZINC000745180765 585157513 /nfs/dbraw/zinc/15/75/13/585157513.db2.gz KLELJEMDJSIFCF-JTQLQIEISA-N 0 3 245.392 0.439 20 0 BCADHN CCN(CC)CCNC(=O)NCC[S@](C)=O ZINC000745244740 585157974 /nfs/dbraw/zinc/15/79/74/585157974.db2.gz MJXUKTKVERUQHI-INIZCTEOSA-N 0 3 249.380 0.006 20 0 BCADHN CON(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000746015851 585162703 /nfs/dbraw/zinc/16/27/03/585162703.db2.gz VLMAQMWGDIWJTM-DTORHVGOSA-N 0 3 200.282 0.879 20 0 BCADHN CCN1CCC(N(C)C(=O)CCC(N)=O)CC1 ZINC000746096977 585163000 /nfs/dbraw/zinc/16/30/00/585163000.db2.gz STNOYWZRLFJVSZ-UHFFFAOYSA-N 0 3 241.335 0.195 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)Cn1ccnc1 ZINC000746260321 585166572 /nfs/dbraw/zinc/16/65/72/585166572.db2.gz UZDRUFJYFXRCOZ-LLVKDONJSA-N 0 3 238.335 0.586 20 0 BCADHN CCOC(=O)CCCNC1(C(N)=O)CCCC1 ZINC000746474940 585168252 /nfs/dbraw/zinc/16/82/52/585168252.db2.gz HWGUURRTMUDHLS-UHFFFAOYSA-N 0 3 242.319 0.717 20 0 BCADHN C[C@@H]1CN(CCS(N)(=O)=O)C(C)(C)C1 ZINC000746677854 585172098 /nfs/dbraw/zinc/17/20/98/585172098.db2.gz GPXIGJKMKQEYRD-QMMMGPOBSA-N 0 3 220.338 0.395 20 0 BCADHN C[N@@H+]1CC[C@H](C(=O)[N-]OCc2cccnc2)C1 ZINC000747167192 585176258 /nfs/dbraw/zinc/17/62/58/585176258.db2.gz JLHKVKBUMLXIHU-NSHDSACASA-N 0 3 235.287 0.581 20 0 BCADHN C[N@H+]1CC[C@H](C(=O)[N-]OCc2cccnc2)C1 ZINC000747167192 585176259 /nfs/dbraw/zinc/17/62/59/585176259.db2.gz JLHKVKBUMLXIHU-NSHDSACASA-N 0 3 235.287 0.581 20 0 BCADHN Cn1nncc1CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886818971 585179215 /nfs/dbraw/zinc/17/92/15/585179215.db2.gz MBQUNYAGHDHADO-PWSUYJOCSA-N 0 3 236.319 0.816 20 0 BCADHN CN(CCNC(=O)NCc1ccon1)C1CC1 ZINC000747583073 585180884 /nfs/dbraw/zinc/18/08/84/585180884.db2.gz VXEQFIPGANZHFD-UHFFFAOYSA-N 0 3 238.291 0.568 20 0 BCADHN CN(C)CCN(C)C(=O)NCc1ccon1 ZINC000747595628 585181138 /nfs/dbraw/zinc/18/11/38/585181138.db2.gz GZYPPIYAAWTLJC-UHFFFAOYSA-N 0 3 226.280 0.378 20 0 BCADHN CN(C)CCNC(=S)N(C)Cc1ccc[nH]1 ZINC000747667410 585182196 /nfs/dbraw/zinc/18/21/96/585182196.db2.gz PYBZDYKIYLYPOJ-UHFFFAOYSA-N 0 3 240.376 0.883 20 0 BCADHN CNC(=S)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000748151823 585188289 /nfs/dbraw/zinc/18/82/89/585188289.db2.gz QBNPQLOWFRWFIO-JTQLQIEISA-N 0 3 245.392 0.533 20 0 BCADHN CN1CCC2(CCN2C(=O)c2ccon2)CC1 ZINC000748323957 585190547 /nfs/dbraw/zinc/19/05/47/585190547.db2.gz JXMONPXWSRSIFJ-UHFFFAOYSA-N 0 3 235.287 0.985 20 0 BCADHN CN(C)CC(=O)N1CCC12CCN(C)CC2 ZINC000748325311 585190577 /nfs/dbraw/zinc/19/05/77/585190577.db2.gz WLCJNMHVDUEEEY-UHFFFAOYSA-N 0 3 225.336 0.245 20 0 BCADHN CN(C)CCN(C)C(=O)CN1CCSC1=O ZINC000748407474 585192341 /nfs/dbraw/zinc/19/23/41/585192341.db2.gz RNCHQVCUYDPJLI-UHFFFAOYSA-N 0 3 245.348 0.175 20 0 BCADHN CCNC(=S)NC[C@]1(N(C)C)CCSC1 ZINC000748601435 585194473 /nfs/dbraw/zinc/19/44/73/585194473.db2.gz KCIZAWGBLBTODZ-SNVBAGLBSA-N 0 3 247.433 0.908 20 0 BCADHN COCCO[N-]C(=O)CCCC[NH+]1CCCC1 ZINC000748770466 585195687 /nfs/dbraw/zinc/19/56/87/585195687.db2.gz UUBVSVHWQPCVCP-UHFFFAOYSA-N 0 3 244.335 0.947 20 0 BCADHN CN(C)CCNC(=S)N[C@@H]1CCCSC1 ZINC000749000412 585198111 /nfs/dbraw/zinc/19/81/11/585198111.db2.gz FBMOAEXRBWUFHN-SECBINFHSA-N 0 3 247.433 0.908 20 0 BCADHN CO[C@H](C)CC(=O)NC[C@@H](C)N(C)C ZINC000749571691 585203963 /nfs/dbraw/zinc/20/39/63/585203963.db2.gz ZWJRINJHBIGWMO-RKDXNWHRSA-N 0 3 202.298 0.478 20 0 BCADHN CN(C)C[C@H]1CCN(C(=O)c2ccc(C=O)[nH]2)C1 ZINC000749996529 585209228 /nfs/dbraw/zinc/20/92/28/585209228.db2.gz NWRWWQUFIMFEMO-SNVBAGLBSA-N 0 3 249.314 0.851 20 0 BCADHN C/C=C/C(=O)NCCN1CCC(OC)CC1 ZINC000750861605 585220649 /nfs/dbraw/zinc/22/06/49/585220649.db2.gz WVMUSNGVYBKIQL-ONEGZZNKSA-N 0 3 226.320 0.790 20 0 BCADHN Cn1cncc1CNCCCNc1ncccn1 ZINC000751506267 585231292 /nfs/dbraw/zinc/23/12/92/585231292.db2.gz KXKHUPTUZTXTAF-UHFFFAOYSA-N 0 3 246.318 0.802 20 0 BCADHN CN(C)CCNC(=O)C1(N(C)C)CCC1 ZINC000751542581 585232405 /nfs/dbraw/zinc/23/24/05/585232405.db2.gz IVORQLRSFWJMON-UHFFFAOYSA-N 0 3 213.325 0.149 20 0 BCADHN CCCCOC(=O)CCN1C[C@H](O)C[C@H](O)C1 ZINC000752091512 585242238 /nfs/dbraw/zinc/24/22/38/585242238.db2.gz IMDOPPRBNOBLNH-PHIMTYICSA-N 0 3 245.319 0.147 20 0 BCADHN COc1cccc(C(=O)NC[C@@H]2CCCN2C)n1 ZINC000752403818 585245545 /nfs/dbraw/zinc/24/55/45/585245545.db2.gz HFOXCASAXCPCHZ-JTQLQIEISA-N 0 3 249.314 0.914 20 0 BCADHN COc1cccc(C(=O)NC[C@H](C)N(C)C)n1 ZINC000752397430 585245701 /nfs/dbraw/zinc/24/57/01/585245701.db2.gz YMLBHHGWULOCAL-VIFPVBQESA-N 0 3 237.303 0.770 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)C(C)(C)C ZINC000752478549 585246486 /nfs/dbraw/zinc/24/64/86/585246486.db2.gz KODHFPFGDJDHDK-GFCCVEGCSA-N 0 3 244.335 0.030 20 0 BCADHN CS/C=C/C(=O)NC[C@](C)(O)CN(C)C ZINC000752481095 585246692 /nfs/dbraw/zinc/24/66/92/585246692.db2.gz KKNGHVMFXNJDEW-PORFMDCZSA-N 0 3 232.349 0.292 20 0 BCADHN C[C@H](CC(=O)NC[C@](C)(O)CN(C)C)C1CC1 ZINC000752483099 585246769 /nfs/dbraw/zinc/24/67/69/585246769.db2.gz WNKONQAXHQUOEJ-MFKMUULPSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@H](CC(=O)NC[C@@](C)(O)CN(C)C)C1CC1 ZINC000752483102 585246835 /nfs/dbraw/zinc/24/68/35/585246835.db2.gz WNKONQAXHQUOEJ-ZWNOBZJWSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H](O)C[C@H]1CCCN1CN1CCCC1=O ZINC000752812912 585250505 /nfs/dbraw/zinc/25/05/05/585250505.db2.gz PBUCTGXENIVYFM-GHMZBOCLSA-N 0 3 226.320 0.802 20 0 BCADHN CC(C)CCN1C(C)C(=O)N(C)S1(=O)=O ZINC000752881290 585251112 /nfs/dbraw/zinc/25/11/12/585251112.db2.gz MXAMEZBCASTKIV-QMMMGPOBSA-N 0 3 234.321 0.440 20 0 BCADHN CCOC[C@@H](O)CN1CCC(OC(C)=O)CC1 ZINC000753185196 585254931 /nfs/dbraw/zinc/25/49/31/585254931.db2.gz OZLWGZSIZGIBQW-NSHDSACASA-N 0 3 245.319 0.411 20 0 BCADHN COCCCO[N-]C(=O)C1CC[NH+](C)CC1 ZINC000805038780 585256895 /nfs/dbraw/zinc/25/68/95/585256895.db2.gz PECXCTZYIPGOHN-UHFFFAOYSA-N 0 3 230.308 0.413 20 0 BCADHN CON(C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000753534212 585260826 /nfs/dbraw/zinc/26/08/26/585260826.db2.gz XNZZOMRPMDUHDW-RKDXNWHRSA-N 0 3 215.297 0.672 20 0 BCADHN CCO[N-]C(=O)CC1CC[NH+](C)CC1 ZINC000753984760 585274066 /nfs/dbraw/zinc/27/40/66/585274066.db2.gz GVSJEQFWBBPHFV-UHFFFAOYSA-N 0 3 200.282 0.786 20 0 BCADHN CCN1CCN(CC[C@@H]2CCOC2=O)C[C@@H]1C ZINC000754388104 585283676 /nfs/dbraw/zinc/28/36/76/585283676.db2.gz UGOGTQRQGQBGRJ-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CCN1CCN(CC[C@@H]2CCOC2=O)C[C@H]1C ZINC000754388108 585283857 /nfs/dbraw/zinc/28/38/57/585283857.db2.gz UGOGTQRQGQBGRJ-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CCCN(C)CC(=O)NCC1(C)OCCCO1 ZINC000754455035 585284622 /nfs/dbraw/zinc/28/46/22/585284622.db2.gz WSZHAFIFJPTGSD-UHFFFAOYSA-N 0 3 244.335 0.598 20 0 BCADHN COC(=O)C[C@@H](N[C@@H](C)C(=O)N(C)C)C1CC1 ZINC000754536144 585285440 /nfs/dbraw/zinc/28/54/40/585285440.db2.gz CNVLFDZTUQQFAV-WCBMZHEXSA-N 0 3 242.319 0.394 20 0 BCADHN COC(=O)C[C@@H](NCc1cnn(C)c1)C1CC1 ZINC000754524407 585285492 /nfs/dbraw/zinc/28/54/92/585285492.db2.gz XJVOQSQHNWPIGV-LLVKDONJSA-N 0 3 237.303 0.851 20 0 BCADHN COC(=O)C[C@H](NCC(=O)NC(C)C)C1CC1 ZINC000754519608 585285494 /nfs/dbraw/zinc/28/54/94/585285494.db2.gz OLGNSBUPLLSFSH-JTQLQIEISA-N 0 3 242.319 0.442 20 0 BCADHN CCN(C)C(=O)CN[C@@H](CC(=O)OC)C1CC1 ZINC000754542503 585285874 /nfs/dbraw/zinc/28/58/74/585285874.db2.gz VPXQYCRUDQGCMX-JTQLQIEISA-N 0 3 242.319 0.396 20 0 BCADHN C[C@@H](O)[C@H](C)Sc1nnnn1CCN(C)C ZINC000755047517 585293861 /nfs/dbraw/zinc/29/38/61/585293861.db2.gz ZXEDOTJRIWPVDG-SFYZADRCSA-N 0 3 245.352 0.096 20 0 BCADHN CCC1(C(=O)N[C@H]2CCN(C3CC3)C2)COC1 ZINC000755236171 585296698 /nfs/dbraw/zinc/29/66/98/585296698.db2.gz ZOXDQOJLQFDVJM-JTQLQIEISA-N 0 3 238.331 0.766 20 0 BCADHN Cc1ncc(C(=O)NCCN2CCC[C@H]2C)[nH]1 ZINC000755288961 585297204 /nfs/dbraw/zinc/29/72/04/585297204.db2.gz LCQFBXAKPLCKDA-SECBINFHSA-N 0 3 236.319 0.932 20 0 BCADHN CCC1(C(=O)N(C)[C@H]2CCCN(C)C2)COC1 ZINC000755341134 585297966 /nfs/dbraw/zinc/29/79/66/585297966.db2.gz DGCRIIXEFPZJKW-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2cnsn2)C1 ZINC000755595996 585301800 /nfs/dbraw/zinc/30/18/00/585301800.db2.gz RXKZUEIAAXQBAT-VXNVDRBHSA-N 0 3 240.332 0.608 20 0 BCADHN COCC[C@@H](C)N1CCCNC(=O)C1 ZINC000755934540 585311100 /nfs/dbraw/zinc/31/11/00/585311100.db2.gz NGJJUVUXDQODTK-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN COC1CC(CN2CC[C@H](NC(N)=O)C2)C1 ZINC000859217920 589020851 /nfs/dbraw/zinc/02/08/51/589020851.db2.gz HRPPRKFEAYCKGQ-KYHHOPLUSA-N 0 3 227.308 0.154 20 0 BCADHN O=C1OCCN1CCN1CC[C@]2(CCOC2)C1 ZINC000756900663 585325066 /nfs/dbraw/zinc/32/50/66/585325066.db2.gz VYIFXWKRVQSUSE-LBPRGKRZSA-N 0 3 240.303 0.551 20 0 BCADHN CO[C@@H](C)CC(=O)N1CCC[C@@H]1CN(C)C ZINC000756932762 585325121 /nfs/dbraw/zinc/32/51/21/585325121.db2.gz FVQMAGAYISJFEZ-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@H]1CCCCN1C(=O)CN[C@@H](CO)C1CC1 ZINC000839554906 585329806 /nfs/dbraw/zinc/32/98/06/585329806.db2.gz FSEKIZBGEYJEDR-JQWIXIFHSA-N 0 3 240.347 0.748 20 0 BCADHN CCCCCNC(=O)CN[C@@H](CO)C1CC1 ZINC000839555781 585329845 /nfs/dbraw/zinc/32/98/45/585329845.db2.gz LLRHWOLEAWJQHE-NSHDSACASA-N 0 3 228.336 0.653 20 0 BCADHN COC(=O)[C@H]1CN(C)CCN(C/C=C/Cl)C1 ZINC000839629295 585332879 /nfs/dbraw/zinc/33/28/79/585332879.db2.gz IITGACZAUSFGER-FSIBCCDJSA-N 0 3 246.738 0.776 20 0 BCADHN C[C@H]1CC(C)(C)CN1[C@H]1CCC(=O)NC1=O ZINC000839657652 585333757 /nfs/dbraw/zinc/33/37/57/585333757.db2.gz DKEDJHTWEIONGL-IUCAKERBSA-N 0 3 224.304 0.912 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)C(OC)OC ZINC000839765510 585339113 /nfs/dbraw/zinc/33/91/13/585339113.db2.gz WVJRMEANQDWCIU-VIFPVBQESA-N 0 3 232.324 0.452 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H]1C[C@@H](C)OC1=O)N(C)C ZINC000839772177 585340821 /nfs/dbraw/zinc/34/08/21/585340821.db2.gz VLBKTKVPPPWMLT-OPRDCNLKSA-N 0 3 242.319 0.393 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C)OC1=O)N(C)C ZINC000839772174 585340952 /nfs/dbraw/zinc/34/09/52/585340952.db2.gz VLBKTKVPPPWMLT-GUBZILKMSA-N 0 3 242.319 0.393 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CSCCS1)N(C)C ZINC000839784992 585342079 /nfs/dbraw/zinc/34/20/79/585342079.db2.gz HHXMGVMRFSSFCR-DTWKUNHWSA-N 0 3 248.417 0.901 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ncccn1 ZINC000758202599 585351878 /nfs/dbraw/zinc/35/18/78/585351878.db2.gz PWUKWYRRSPOHQL-GXSJLCMTSA-N 0 3 246.314 0.689 20 0 BCADHN CN1CCC(NC(=O)NOCC(F)F)CC1 ZINC000758833521 585360643 /nfs/dbraw/zinc/36/06/43/585360643.db2.gz IPLBZFOGJSAEPK-UHFFFAOYSA-N 0 3 237.250 0.577 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)c1cn(C)cn1 ZINC000759113450 585364357 /nfs/dbraw/zinc/36/43/57/585364357.db2.gz DBOKYCZJKJDMBY-SNVBAGLBSA-N 0 3 238.335 0.736 20 0 BCADHN CC(C)COCCOC(=O)C1CCN(C)C1=O ZINC000759711319 585379056 /nfs/dbraw/zinc/37/90/56/585379056.db2.gz MCKJWLVASROLNK-JTQLQIEISA-N 0 3 243.303 0.681 20 0 BCADHN CCONC(=O)Nc1cnn(CCN(C)C)c1 ZINC000759986279 585383746 /nfs/dbraw/zinc/38/37/46/585383746.db2.gz JJOLZYSKFSYYNQ-UHFFFAOYSA-N 0 3 241.295 0.518 20 0 BCADHN COC(=O)[C@]1(F)CCN(CCN2CCCC2)C1 ZINC000760842283 585399148 /nfs/dbraw/zinc/39/91/48/585399148.db2.gz FTCUBRQAMVCXND-LBPRGKRZSA-N 0 3 244.310 0.669 20 0 BCADHN C[C@@H]1CC(=O)NCCN1CCCCCCO ZINC000761057192 585404427 /nfs/dbraw/zinc/40/44/27/585404427.db2.gz QYBXTCXYDSZPGG-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN C[C@@H]1CN(CCC(=O)N(C)C)CCN1C ZINC000761077262 585406318 /nfs/dbraw/zinc/40/63/18/585406318.db2.gz NVJRDCRFTUFYTF-SNVBAGLBSA-N 0 3 213.325 0.101 20 0 BCADHN C[C@H](CN1C(=O)CN(C)C1=O)N1CCCCC1 ZINC000761118710 585410543 /nfs/dbraw/zinc/41/05/43/585410543.db2.gz JDGPTGKWOKUZKH-SNVBAGLBSA-N 0 3 239.319 0.755 20 0 BCADHN CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1O ZINC000762209852 585429023 /nfs/dbraw/zinc/42/90/23/585429023.db2.gz YNMRKFPQZVTLQK-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](O)CC(C)C ZINC000762479245 585432837 /nfs/dbraw/zinc/43/28/37/585432837.db2.gz BDJHYGNZHULWNR-NSHDSACASA-N 0 3 230.352 0.851 20 0 BCADHN COC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000762617515 585434459 /nfs/dbraw/zinc/43/44/59/585434459.db2.gz XMDWJSBESNDJHZ-SNVBAGLBSA-N 0 3 230.308 0.843 20 0 BCADHN CCC/C=C\C(=O)NC[C@]1(O)CCN(C)C1 ZINC000762715172 585436019 /nfs/dbraw/zinc/43/60/19/585436019.db2.gz ALCQRWGQIFRNKK-FOQNGQEVSA-N 0 3 226.320 0.526 20 0 BCADHN C[C@H](CC(=O)NC[C@]1(O)CCN(C)C1)C1CC1 ZINC000762716817 585436072 /nfs/dbraw/zinc/43/60/72/585436072.db2.gz KLMITIGQKVYITD-ZWNOBZJWSA-N 0 3 240.347 0.605 20 0 BCADHN C/C=C(/C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000762722563 585436270 /nfs/dbraw/zinc/43/62/70/585436270.db2.gz RYIGHTKSEJSGID-NJHLSQGMSA-N 0 3 212.293 0.135 20 0 BCADHN CCOCCNC(=O)C1(N(C)C)CCC1 ZINC000762975952 585440734 /nfs/dbraw/zinc/44/07/34/585440734.db2.gz YOEMBPLHRBCUNY-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CN(C)C1(C(=O)N2CCC(O)CC2)CCC1 ZINC000763003246 585441164 /nfs/dbraw/zinc/44/11/64/585441164.db2.gz HQJMVKKKSDXYIZ-UHFFFAOYSA-N 0 3 226.320 0.454 20 0 BCADHN COC[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC000763030290 585441980 /nfs/dbraw/zinc/44/19/80/585441980.db2.gz OXYHCQWQPBEYBM-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC000763042035 585442312 /nfs/dbraw/zinc/44/23/12/585442312.db2.gz VQVAJXUOWFYMQX-SECBINFHSA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@H](NC(=O)C1(N(C)C)CCC1)C(=O)OC ZINC000763066446 585442799 /nfs/dbraw/zinc/44/27/99/585442799.db2.gz DDKZPOADMOHIFN-VIFPVBQESA-N 0 3 242.319 0.539 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC000763073940 585442993 /nfs/dbraw/zinc/44/29/93/585442993.db2.gz SJQPGRKAKJKPJG-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC000763073943 585443096 /nfs/dbraw/zinc/44/30/96/585443096.db2.gz SJQPGRKAKJKPJG-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](O)CCN(C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763689180 585451479 /nfs/dbraw/zinc/45/14/79/585451479.db2.gz VJHWOJDVVWHKOH-VHSXEESVSA-N 0 3 227.304 0.785 20 0 BCADHN O=C1O[C@@H](CN2CCC[C@H](O)C2)CC12CC2 ZINC000763659532 585451743 /nfs/dbraw/zinc/45/17/43/585451743.db2.gz HUFZCHMEELOSPB-VHSXEESVSA-N 0 3 225.288 0.539 20 0 BCADHN O=C1O[C@H](CN2CCC(CO)CC2)CC12CC2 ZINC000763659545 585451822 /nfs/dbraw/zinc/45/18/22/585451822.db2.gz HWAODTOZHRCEPI-NSHDSACASA-N 0 3 239.315 0.786 20 0 BCADHN CCN(CCO)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763673782 585452019 /nfs/dbraw/zinc/45/20/19/585452019.db2.gz IJWJKOIOAWSCIX-VIFPVBQESA-N 0 3 213.277 0.396 20 0 BCADHN O=C1O[C@H](CN2CCCC[C@@H]2CO)CC12CC2 ZINC000763662249 585452202 /nfs/dbraw/zinc/45/22/02/585452202.db2.gz QVCNMLVZUPBWIH-MNOVXSKESA-N 0 3 239.315 0.929 20 0 BCADHN COCCN(CCO)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763673254 585452234 /nfs/dbraw/zinc/45/22/34/585452234.db2.gz FLVZRCXIYNWDSV-SNVBAGLBSA-N 0 3 243.303 0.023 20 0 BCADHN CO[C@@H]1CCN(C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000763696871 585452774 /nfs/dbraw/zinc/45/27/74/585452774.db2.gz MLMQWVMXMCBMBA-ZJUUUORDSA-N 0 3 225.288 0.803 20 0 BCADHN CC[C@@]1(O)CCN(C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000763780359 585454135 /nfs/dbraw/zinc/45/41/35/585454135.db2.gz NHACJUMCQFVDQB-ZWNOBZJWSA-N 0 3 239.315 0.929 20 0 BCADHN CN(C[C@@H]1CC2(CC2)C(=O)O1)C1CC(O)C1 ZINC000763756052 585454189 /nfs/dbraw/zinc/45/41/89/585454189.db2.gz SQAROLZKYPEHHH-RTBKNWGFSA-N 0 3 225.288 0.537 20 0 BCADHN O=C1O[C@@H](CN(CCO)C2CCC2)CC12CC2 ZINC000763780436 585454283 /nfs/dbraw/zinc/45/42/83/585454283.db2.gz NYGUOFZJMATDTM-LLVKDONJSA-N 0 3 239.315 0.929 20 0 BCADHN C[C@@H](CNC(=O)[C@@H](O)C(C)(C)C)N(C)C ZINC000764815682 585474673 /nfs/dbraw/zinc/47/46/73/585474673.db2.gz ZIVOISIQLNVJGR-DTWKUNHWSA-N 0 3 216.325 0.460 20 0 BCADHN CN(CCNC(=O)C(=O)OC(C)(C)C)C1CC1 ZINC000764868023 585476416 /nfs/dbraw/zinc/47/64/16/585476416.db2.gz CWJONHFOOUBVTG-UHFFFAOYSA-N 0 3 242.319 0.539 20 0 BCADHN CN1CCC[C@H]1CNC(=O)C(=O)OC(C)(C)C ZINC000764870960 585476590 /nfs/dbraw/zinc/47/65/90/585476590.db2.gz WGNMFZYHCRIONF-VIFPVBQESA-N 0 3 242.319 0.539 20 0 BCADHN CC(C)[C@@H](C(=O)NCC1(C)OCCO1)N(C)C ZINC000765017450 585479527 /nfs/dbraw/zinc/47/95/27/585479527.db2.gz BNDXCNOXVXVVJQ-JTQLQIEISA-N 0 3 244.335 0.452 20 0 BCADHN CC(C)[C@H](C(=O)NCC1(C)OCCO1)N(C)C ZINC000765019967 585479537 /nfs/dbraw/zinc/47/95/37/585479537.db2.gz BNDXCNOXVXVVJQ-SNVBAGLBSA-N 0 3 244.335 0.452 20 0 BCADHN CN(C(=O)[C@H](O)C(C)(C)C)[C@@H]1CCCN(C)C1 ZINC000765103102 585481383 /nfs/dbraw/zinc/48/13/83/585481383.db2.gz RSZZULXXBWWRDK-MNOVXSKESA-N 0 3 242.363 0.946 20 0 BCADHN C[C@H](CNC(=O)NC[C@H](C)O)N1CCCCC1 ZINC000765468368 585487350 /nfs/dbraw/zinc/48/73/50/585487350.db2.gz WZWAPEBYUSINSJ-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(C)nc(N)n1 ZINC000765638468 585491746 /nfs/dbraw/zinc/49/17/46/585491746.db2.gz ZCCFUCFWVYVQNN-BDAKNGLRSA-N 0 3 249.318 0.694 20 0 BCADHN CN(CC1(O)CCCC1)[C@H]1CCC(=O)NC1=O ZINC000765962344 585494554 /nfs/dbraw/zinc/49/45/54/585494554.db2.gz GQBAYETUBIMBAZ-VIFPVBQESA-N 0 3 240.303 0.029 20 0 BCADHN CCCCN(CC)[C@@H]1CCC(=O)NC1=O ZINC000765958297 585494584 /nfs/dbraw/zinc/49/45/84/585494584.db2.gz KKNXXCGDGLYKNK-SECBINFHSA-N 0 3 212.293 0.914 20 0 BCADHN CN(CCN1CCOC1=O)CC1(C)COC1 ZINC000766121217 585497649 /nfs/dbraw/zinc/49/76/49/585497649.db2.gz PEOGQFDWAVBJNJ-UHFFFAOYSA-N 0 3 228.292 0.407 20 0 BCADHN CNC(=O)C1CCN(CCC(=O)C2CC2)CC1 ZINC000767358024 585517751 /nfs/dbraw/zinc/51/77/51/585517751.db2.gz DIISNIKPJCCKNW-UHFFFAOYSA-N 0 3 238.331 0.814 20 0 BCADHN CN(CCC(=O)C1CC1)CC(C)(CO)CO ZINC000767418200 585519666 /nfs/dbraw/zinc/51/96/66/585519666.db2.gz VOUBLDKLDJFSRP-UHFFFAOYSA-N 0 3 229.320 0.278 20 0 BCADHN C[C@@H]1CN(CCC2OCCO2)[C@H](C)CN1C ZINC000767823064 585526712 /nfs/dbraw/zinc/52/67/12/585526712.db2.gz QLHADTWAKKCQBS-GHMZBOCLSA-N 0 3 228.336 0.774 20 0 BCADHN CN(C)Cc1ccc(CN(C)CC(N)=O)cc1 ZINC000768246490 585534919 /nfs/dbraw/zinc/53/49/19/585534919.db2.gz XLYSWBXVMJPKTP-UHFFFAOYSA-N 0 3 235.331 0.665 20 0 BCADHN CCN(CC(=O)NC)C[C@H]1CCCOC1 ZINC000768536108 585539896 /nfs/dbraw/zinc/53/98/96/585539896.db2.gz RWUYWDRWRREHDX-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1CCN1CCOC1=O ZINC000768763024 585542841 /nfs/dbraw/zinc/54/28/41/585542841.db2.gz GBYNVOYBQVFZIZ-WDEREUQCSA-N 0 3 241.335 0.463 20 0 BCADHN CCCCN(CC(N)=O)C1CCOCC1 ZINC000768867803 585545067 /nfs/dbraw/zinc/54/50/67/585545067.db2.gz HZIQPZPNQYUJJU-UHFFFAOYSA-N 0 3 214.309 0.753 20 0 BCADHN C(CN1CCO[C@]2(CCOC2)C1)N1CCCC1 ZINC000769220529 585551196 /nfs/dbraw/zinc/55/11/96/585551196.db2.gz LQUGQRKWIVYPNO-CYBMUJFWSA-N 0 3 240.347 0.574 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H]1COC(C)(C)O1 ZINC000769216993 585551245 /nfs/dbraw/zinc/55/12/45/585551245.db2.gz XGEFKRVANICZSL-SNVBAGLBSA-N 0 3 244.335 0.594 20 0 BCADHN c1nc(C2CCN(Cc3cn[nH]c3)CC2)n[nH]1 ZINC000769484774 585558190 /nfs/dbraw/zinc/55/81/90/585558190.db2.gz ZHRKFLJRNJDZJA-UHFFFAOYSA-N 0 3 232.291 0.907 20 0 BCADHN CCN(CCO)CCNC(=O)C[C@@H](C)C1CC1 ZINC000769635495 585561003 /nfs/dbraw/zinc/56/10/03/585561003.db2.gz MGXPOEBFXMEOKW-LLVKDONJSA-N 0 3 242.363 0.853 20 0 BCADHN OC[C@]12C[C@H]1CN(CCO[C@H]1CCCCO1)C2 ZINC000769800334 585563924 /nfs/dbraw/zinc/56/39/24/585563924.db2.gz KGHVCTSBZJASJL-RWMBFGLXSA-N 0 3 241.331 0.844 20 0 BCADHN CCC[C@@]1(CO)CCCN1CC(=O)N(C)OC ZINC000769912842 585566110 /nfs/dbraw/zinc/56/61/10/585566110.db2.gz IJJQMCZDIUYXNH-LBPRGKRZSA-N 0 3 244.335 0.633 20 0 BCADHN CC(C)[C@@H](C(=O)NCc1ncccn1)N(C)C ZINC000770056492 585570383 /nfs/dbraw/zinc/57/03/83/585570383.db2.gz PEFPPASCGSKTOU-NSHDSACASA-N 0 3 236.319 0.679 20 0 BCADHN Cc1cccc(OCCN(C)C[C@H](O)CO)c1 ZINC000770264138 585572127 /nfs/dbraw/zinc/57/21/27/585572127.db2.gz HBXAYQQYPRTJOJ-LBPRGKRZSA-N 0 3 239.315 0.659 20 0 BCADHN CC(C)(O)C(=O)OCCN1CCCCC1 ZINC000770361416 585572962 /nfs/dbraw/zinc/57/29/62/585572962.db2.gz YZPWDZUWZYPBTM-UHFFFAOYSA-N 0 3 215.293 0.786 20 0 BCADHN COC[C@@](C)(O)C(=O)OCCN1CCCCC1 ZINC000770383747 585573558 /nfs/dbraw/zinc/57/35/58/585573558.db2.gz LFQHJRPTODJBDG-GFCCVEGCSA-N 0 3 245.319 0.413 20 0 BCADHN CON(C)C(=O)CN(C)CCN(C)C1CC1 ZINC000770686138 585579664 /nfs/dbraw/zinc/57/96/64/585579664.db2.gz UOGKYMYEDUCDRM-UHFFFAOYSA-N 0 3 229.324 0.032 20 0 BCADHN COC(=O)C[C@@]1(NC[C@@H](C)OC)CCCOC1 ZINC000770704046 585580183 /nfs/dbraw/zinc/58/01/83/585580183.db2.gz VTZNAAOYYSRIOU-PWSUYJOCSA-N 0 3 245.319 0.723 20 0 BCADHN C[C@@H]1[C@H](C)N(CCN2CCOC2=O)CCN1C ZINC000771466849 585594677 /nfs/dbraw/zinc/59/46/77/585594677.db2.gz LKBLPXQYCHUVLG-MNOVXSKESA-N 0 3 241.335 0.463 20 0 BCADHN C[C@H]1[C@H](C)N(CCN2CCOC2=O)CCN1C ZINC000771466850 585594822 /nfs/dbraw/zinc/59/48/22/585594822.db2.gz LKBLPXQYCHUVLG-QWRGUYRKSA-N 0 3 241.335 0.463 20 0 BCADHN C/C=C(\C)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000771661559 585598785 /nfs/dbraw/zinc/59/87/85/585598785.db2.gz SFAJEYCTDMITBW-JPOQUURFSA-N 0 3 240.347 0.916 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N[C@@H](CCO)C1CC1 ZINC000771794649 585600023 /nfs/dbraw/zinc/60/00/23/585600023.db2.gz GUWBQGACGPGUJF-PWSUYJOCSA-N 0 3 242.363 0.994 20 0 BCADHN O=C(CN[C@@H](CCO)C1CC1)Nc1ccon1 ZINC000771794713 585600047 /nfs/dbraw/zinc/60/00/47/585600047.db2.gz IAIXMIHSQLQURB-VIFPVBQESA-N 0 3 239.275 0.364 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000771796650 585600064 /nfs/dbraw/zinc/60/00/64/585600064.db2.gz RSVCXDJWWGIRFB-LLVKDONJSA-N 0 3 226.320 0.718 20 0 BCADHN CC(C)CCNC(=O)[C@@H](C)N[C@H](CO)C1CC1 ZINC000771805976 585600340 /nfs/dbraw/zinc/60/03/40/585600340.db2.gz HKCFHNGHGCXPTK-ZYHUDNBSSA-N 0 3 242.363 0.898 20 0 BCADHN OC[C@@H](NCc1cn2cccnc2n1)C1CC1 ZINC000771806896 585600790 /nfs/dbraw/zinc/60/07/90/585600790.db2.gz JMKBGRGOTQAWJH-LLVKDONJSA-N 0 3 232.287 0.590 20 0 BCADHN CCN(CC)CCOC(=O)C1CC(=O)C1 ZINC000772232332 585610611 /nfs/dbraw/zinc/61/06/11/585610611.db2.gz OUWBDRXEJDTPLJ-UHFFFAOYSA-N 0 3 213.277 0.851 20 0 BCADHN CC[C@@H]1CC[C@H](C)N1CCS(N)(=O)=O ZINC000772356984 585613190 /nfs/dbraw/zinc/61/31/90/585613190.db2.gz NXJCIZGPEJZBRU-DTWKUNHWSA-N 0 3 220.338 0.538 20 0 BCADHN CCC(=O)[C@H](C)OC(=O)C1CCN(C)C1=O ZINC000772518516 585617185 /nfs/dbraw/zinc/61/71/85/585617185.db2.gz LSJBNFMODAQGRP-JGVFFNPUSA-N 0 3 227.260 0.376 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C1(F)CCCC1 ZINC000773481386 585637934 /nfs/dbraw/zinc/63/79/34/585637934.db2.gz RHLWONLHRHQUJX-NSHDSACASA-N 0 3 246.326 0.698 20 0 BCADHN C[C@H](OC(=O)C1CCN(C)C1=O)c1cnccn1 ZINC000774038424 585648744 /nfs/dbraw/zinc/64/87/44/585648744.db2.gz QOAFRIWRBXNIGL-DTWKUNHWSA-N 0 3 249.270 0.559 20 0 BCADHN CO[C@@H](C)CCOC(=O)C1CCN(C)C1=O ZINC000774115832 585650243 /nfs/dbraw/zinc/65/02/43/585650243.db2.gz SOGBJLMYEHZWCW-DTWKUNHWSA-N 0 3 229.276 0.433 20 0 BCADHN C[C@@H](OC(=O)C1CCN(C)C1=O)C(F)(F)F ZINC000774126698 585651126 /nfs/dbraw/zinc/65/11/26/585651126.db2.gz MPHZXRASYUDWMV-PHDIDXHHSA-N 0 3 239.193 0.959 20 0 BCADHN COC[C@H](OC(=O)C1CCN(C)C1=O)C(C)C ZINC000774134752 585651203 /nfs/dbraw/zinc/65/12/03/585651203.db2.gz NFABKSATKHGKOE-UWVGGRQHSA-N 0 3 243.303 0.679 20 0 BCADHN C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccnn1C ZINC000774204785 585653736 /nfs/dbraw/zinc/65/37/36/585653736.db2.gz KBTMOLOQKINFPE-SKDRFNHKSA-N 0 3 249.318 0.538 20 0 BCADHN CC[C@H](CCOC)OC(=O)C1CCN(C)C1=O ZINC000774237485 585654719 /nfs/dbraw/zinc/65/47/19/585654719.db2.gz NSHAWGMZWZYBCV-NXEZZACHSA-N 0 3 243.303 0.823 20 0 BCADHN COCC[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000774235935 585654724 /nfs/dbraw/zinc/65/47/24/585654724.db2.gz GAITWTMZWNCOKM-BDAKNGLRSA-N 0 3 229.276 0.433 20 0 BCADHN CN(C)CCNC(=S)NCCC(C)(C)O ZINC000774263646 585655402 /nfs/dbraw/zinc/65/54/02/585655402.db2.gz ZQSMHBDEDYEUIT-UHFFFAOYSA-N 0 3 233.381 0.173 20 0 BCADHN C=COCCOC(=O)C1CCN(C)C1=O ZINC000774278785 585655549 /nfs/dbraw/zinc/65/55/49/585655549.db2.gz CUAJGICSJNNCBQ-MRVPVSSYSA-N 0 3 213.233 0.168 20 0 BCADHN C=COCCOC(=O)C1CCN(C)C1=O ZINC000774278786 585655661 /nfs/dbraw/zinc/65/56/61/585655661.db2.gz CUAJGICSJNNCBQ-QMMMGPOBSA-N 0 3 213.233 0.168 20 0 BCADHN C[C@@H]1OCC[C@@H]1OC(=O)C1CCN(C)C1=O ZINC000774504437 585659894 /nfs/dbraw/zinc/65/98/94/585659894.db2.gz YRZKNBFMSQYFBM-CIUDSAMLSA-N 0 3 227.260 0.185 20 0 BCADHN COC[C@@H](C)COC(=O)C1CCN(C)C1=O ZINC000774488193 585660317 /nfs/dbraw/zinc/66/03/17/585660317.db2.gz MJGCEAUPOBDTDE-BDAKNGLRSA-N 0 3 229.276 0.290 20 0 BCADHN C[C@@H](CN1CCOCC1)N1CCN(C)[C@@H](C)C1 ZINC000774736587 585664628 /nfs/dbraw/zinc/66/46/28/585664628.db2.gz FYHTZPUICUUYAF-STQMWFEESA-N 0 3 241.379 0.343 20 0 BCADHN CCOCCO[N-]C(=O)CCCC[NH+](C)C ZINC000775236880 585673873 /nfs/dbraw/zinc/67/38/73/585673873.db2.gz ZAZHTYZCUIQDML-UHFFFAOYSA-N 0 3 232.324 0.803 20 0 BCADHN CCN(CCCn1ccnc1)CC(=O)NC ZINC000775949327 585688344 /nfs/dbraw/zinc/68/83/44/585688344.db2.gz ZHMLWRSNTUDKDU-UHFFFAOYSA-N 0 3 224.308 0.341 20 0 BCADHN CC(C)[C@H](C)N(C)CN1CC(=O)N(C)C1=O ZINC000776200917 585693086 /nfs/dbraw/zinc/69/30/86/585693086.db2.gz WJYYZGZYKQTHBF-VIFPVBQESA-N 0 3 227.308 0.814 20 0 BCADHN CON(C)C(=O)CN1CCC[C@]1(C)CCCO ZINC000776598534 585702111 /nfs/dbraw/zinc/70/21/11/585702111.db2.gz PVFUYGLHKDJYQV-GFCCVEGCSA-N 0 3 244.335 0.633 20 0 BCADHN CC(C)CN1CCN(Cn2cnnc2)CC1 ZINC000776755892 585703720 /nfs/dbraw/zinc/70/37/20/585703720.db2.gz INSUEXMTOYWNAY-UHFFFAOYSA-N 0 3 223.324 0.509 20 0 BCADHN c1nncn1CN1CCN(c2ccncc2)CC1 ZINC000776756255 585703927 /nfs/dbraw/zinc/70/39/27/585703927.db2.gz MBHANDGKCAPYOX-UHFFFAOYSA-N 0 3 244.302 0.453 20 0 BCADHN CN(Cn1cnnc1)[C@H]1CCN(C2CC2)C1 ZINC000776758923 585704199 /nfs/dbraw/zinc/70/41/99/585704199.db2.gz DMXNTBKSLRGDMP-NSHDSACASA-N 0 3 221.308 0.404 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1Cn1cnnc1 ZINC000776761387 585704644 /nfs/dbraw/zinc/70/46/44/585704644.db2.gz APFWGPIAKREPMI-VHSXEESVSA-N 0 3 210.281 0.471 20 0 BCADHN c1nncn1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000776762209 585704732 /nfs/dbraw/zinc/70/47/32/585704732.db2.gz KFLRDGUQUJYARQ-GHMZBOCLSA-N 0 3 222.292 0.594 20 0 BCADHN c1nncn1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000776762210 585704742 /nfs/dbraw/zinc/70/47/42/585704742.db2.gz KFLRDGUQUJYARQ-MNOVXSKESA-N 0 3 222.292 0.594 20 0 BCADHN c1nncn1CN1CC[C@@]2(CCOC2)C1 ZINC000776763198 585704884 /nfs/dbraw/zinc/70/48/84/585704884.db2.gz HRCFSXHZIUCJSG-SNVBAGLBSA-N 0 3 208.265 0.348 20 0 BCADHN CCOC[C@@H]1CCN(Cn2cnnc2)C1 ZINC000776765067 585705036 /nfs/dbraw/zinc/70/50/36/585705036.db2.gz VYCPFJKCYZYKRU-SNVBAGLBSA-N 0 3 210.281 0.594 20 0 BCADHN c1nncn1CN1CCC[C@H]2COCC[C@@H]21 ZINC000776764892 585705039 /nfs/dbraw/zinc/70/50/39/585705039.db2.gz SEVQMTGGIRLCHN-QWRGUYRKSA-N 0 3 222.292 0.737 20 0 BCADHN Cn1cc(C[C@H]2CCN(Cn3cnnc3)C2)cn1 ZINC000776763633 585705093 /nfs/dbraw/zinc/70/50/93/585705093.db2.gz JEHPNMJYVKZBMB-LLVKDONJSA-N 0 3 246.318 0.534 20 0 BCADHN COC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000777401180 585711370 /nfs/dbraw/zinc/71/13/70/585711370.db2.gz LJLPNKMESLEIAD-UHFFFAOYSA-N 0 3 241.335 0.465 20 0 BCADHN C(C1OCCO1)N(C[C@@H]1CCOC1)C1CC1 ZINC000777556573 585715061 /nfs/dbraw/zinc/71/50/61/585715061.db2.gz XVJBJWUYXLBSIJ-JTQLQIEISA-N 0 3 227.304 0.860 20 0 BCADHN COC[C@H]1CCN(CC2OCCO2)C1 ZINC000777589028 585716544 /nfs/dbraw/zinc/71/65/44/585716544.db2.gz PSBVHRSSIXIRTR-VIFPVBQESA-N 0 3 201.266 0.328 20 0 BCADHN CCN1CC(=O)N([C@@H]2CCCN(C)C2)C1=O ZINC000777618677 585717348 /nfs/dbraw/zinc/71/73/48/585717348.db2.gz AXSSPRXZVAOBKG-SECBINFHSA-N 0 3 225.292 0.365 20 0 BCADHN CC[C@@H]1NC(=O)N([C@H]2CCN(C3CC3)C2)C1=O ZINC000777626410 585717578 /nfs/dbraw/zinc/71/75/78/585717578.db2.gz RZULLTJLVRBTPE-UWVGGRQHSA-N 0 3 237.303 0.554 20 0 BCADHN C[C@@H](O)C[C@H]1CCCN1CC1OCCO1 ZINC000777711639 585718406 /nfs/dbraw/zinc/71/84/06/585718406.db2.gz AZMLQQIXQNOPNK-NXEZZACHSA-N 0 3 215.293 0.595 20 0 BCADHN CN(CC1OCCO1)[C@@H](CO)C(C)(C)C ZINC000777710040 585718409 /nfs/dbraw/zinc/71/84/09/585718409.db2.gz VKYRSKGZBVZJCO-VIFPVBQESA-N 0 3 217.309 0.698 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1CC1OCCO1 ZINC000777711641 585718721 /nfs/dbraw/zinc/71/87/21/585718721.db2.gz AZMLQQIXQNOPNK-UWVGGRQHSA-N 0 3 215.293 0.595 20 0 BCADHN CS[C@@H]1CN(CC2OCCO2)C[C@@H]1N(C)C ZINC000777713045 585718728 /nfs/dbraw/zinc/71/87/28/585718728.db2.gz NKQWJWGAKSCIIX-VHSXEESVSA-N 0 3 246.376 0.337 20 0 BCADHN CCN1C[C@H](C)N(CC2OCCO2)C[C@H]1C ZINC000777715935 585719115 /nfs/dbraw/zinc/71/91/15/585719115.db2.gz FBAAWYWBOVHHOU-MNOVXSKESA-N 0 3 228.336 0.774 20 0 BCADHN C[C@@H](NCCCC(=O)NC(N)=O)c1cn[nH]c1 ZINC000778143173 585726132 /nfs/dbraw/zinc/72/61/32/585726132.db2.gz WWPDRGJISDPSJP-SSDOTTSWSA-N 0 3 239.279 0.035 20 0 BCADHN CN1CC[C@@](O)(CNCc2ccc(F)nc2)C1 ZINC000778177859 585727151 /nfs/dbraw/zinc/72/71/51/585727151.db2.gz XZBMSJFIHRUUCX-GFCCVEGCSA-N 0 3 239.294 0.377 20 0 BCADHN C[C@@H]1C(=O)N(C)CCN1CCN1CCCC1 ZINC000778260932 585729828 /nfs/dbraw/zinc/72/98/28/585729828.db2.gz VXLQIVHWQQUSEQ-LLVKDONJSA-N 0 3 225.336 0.245 20 0 BCADHN OCC[C@@H]1CCCN1CC1OCCO1 ZINC000778267478 585730198 /nfs/dbraw/zinc/73/01/98/585730198.db2.gz GHLYBEQMTUHUCT-VIFPVBQESA-N 0 3 201.266 0.206 20 0 BCADHN C[C@@H]1CCN(CCN2CCCC2)[C@H](C(N)=O)C1 ZINC000778295479 585730358 /nfs/dbraw/zinc/73/03/58/585730358.db2.gz PVBCUSVYJOQTNY-NEPJUHHUSA-N 0 3 239.363 0.668 20 0 BCADHN CC[C@]1(O)CCN(C/C=C(/C)C(=O)OC)C1 ZINC000778388851 585733483 /nfs/dbraw/zinc/73/34/83/585733483.db2.gz RMEIKSQSTRSSJZ-JSJZCHLLSA-N 0 3 227.304 0.953 20 0 BCADHN CN1CCC[C@@H](NC(=O)N[C@@H](CO)C2CC2)C1 ZINC000778695473 585739341 /nfs/dbraw/zinc/73/93/41/585739341.db2.gz NNGRWKQEYXDCRW-MNOVXSKESA-N 0 3 241.335 0.151 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)c1ccncn1 ZINC000778823967 585741161 /nfs/dbraw/zinc/74/11/61/585741161.db2.gz AYZHZIWFAZWDEK-NSHDSACASA-N 0 3 236.319 0.793 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NC[C@H](O)c1cnn(C)c1 ZINC000779074196 585744547 /nfs/dbraw/zinc/74/45/47/585744547.db2.gz OIKLKSHZQWGRMU-PELKAZGASA-N 0 3 249.318 0.836 20 0 BCADHN CN(C)C1(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)CCC1 ZINC000779231602 585747895 /nfs/dbraw/zinc/74/78/95/585747895.db2.gz NCVJMURYYIZKJQ-NXEZZACHSA-N 0 3 240.347 0.746 20 0 BCADHN Cc1ccc([C@H](O)CN[C@@H](C)CCO)o1 ZINC000779347779 585752405 /nfs/dbraw/zinc/75/24/05/585752405.db2.gz NXLZQUIVQPEIRC-WCBMZHEXSA-N 0 3 213.277 0.982 20 0 BCADHN CC[C@@H](CO)C(=O)NC1CCN(C2CC2)CC1 ZINC000779587097 585756522 /nfs/dbraw/zinc/75/65/22/585756522.db2.gz NIARVEIBSOVPSN-JTQLQIEISA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@@H](CO)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000779621731 585757430 /nfs/dbraw/zinc/75/74/30/585757430.db2.gz XZGPWEQSENMXBQ-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@H](CO)C(=O)NC[C@@H](C)N(C)C ZINC000779738395 585760327 /nfs/dbraw/zinc/76/03/27/585760327.db2.gz NEJJKTOUPDGIIH-RKDXNWHRSA-N 0 3 202.298 0.071 20 0 BCADHN CC[C@H](CO)C(=O)NCCN1CCCC[C@H]1C ZINC000779738888 585760380 /nfs/dbraw/zinc/76/03/80/585760380.db2.gz ZBSFOOURQJRVDS-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](CO)C(=O)NC[C@@H](C)N(C)C ZINC000779738383 585760431 /nfs/dbraw/zinc/76/04/31/585760431.db2.gz NEJJKTOUPDGIIH-BDAKNGLRSA-N 0 3 202.298 0.071 20 0 BCADHN CC[C@@H](CO)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000779769352 585761912 /nfs/dbraw/zinc/76/19/12/585761912.db2.gz QSPUMIGREBLHRJ-RYUDHWBXSA-N 0 3 240.347 0.605 20 0 BCADHN CC[C@H](CO)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000779777843 585762435 /nfs/dbraw/zinc/76/24/35/585762435.db2.gz VLNLVSXNKFZKGD-PWSUYJOCSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@H](CO)C(=O)NCCN1CC[C@@H](C)C1 ZINC000779802078 585764986 /nfs/dbraw/zinc/76/49/86/585764986.db2.gz CKSVWUVAOACOHB-GHMZBOCLSA-N 0 3 228.336 0.463 20 0 BCADHN CC[C@@H](CO)C(=O)NCCN1CC[C@@H](C)C1 ZINC000779802081 585765016 /nfs/dbraw/zinc/76/50/16/585765016.db2.gz CKSVWUVAOACOHB-MNOVXSKESA-N 0 3 228.336 0.463 20 0 BCADHN CC[C@H](CO)C(=O)N(C)CCN(C)C1CC1 ZINC000779844906 585768936 /nfs/dbraw/zinc/76/89/36/585768936.db2.gz NDPPRRDHNKXHQX-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)NS(=O)(=O)NCCN1CCC[C@@H]1C ZINC000780866591 585785588 /nfs/dbraw/zinc/78/55/88/585785588.db2.gz SBJUCQFWXJATNP-JTQLQIEISA-N 0 3 249.380 0.303 20 0 BCADHN CC(C(=O)NC[C@H]1CCC=CO1)S(C)(=O)=O ZINC000781488386 585797488 /nfs/dbraw/zinc/79/74/88/585797488.db2.gz NCUJTAIEDXFDJS-RKDXNWHRSA-N 0 3 247.316 0.228 20 0 BCADHN CC(C(=O)NC[C@@H]1CCC=CO1)S(C)(=O)=O ZINC000781488385 585797538 /nfs/dbraw/zinc/79/75/38/585797538.db2.gz NCUJTAIEDXFDJS-IUCAKERBSA-N 0 3 247.316 0.228 20 0 BCADHN COC(CN1CCN(C)CC1(C)C)OC ZINC000781904659 585804401 /nfs/dbraw/zinc/80/44/01/585804401.db2.gz QUBCHNFWIWTRSH-UHFFFAOYSA-N 0 3 216.325 0.631 20 0 BCADHN O=C1NCC2(CCN(CCCF)CC2)O1 ZINC000782002791 585806071 /nfs/dbraw/zinc/80/60/71/585806071.db2.gz APXJXIIZVBDWPQ-UHFFFAOYSA-N 0 3 216.256 0.920 20 0 BCADHN COC(=O)CCN1CCC2(CNC(=O)O2)CC1 ZINC000782003268 585806209 /nfs/dbraw/zinc/80/62/09/585806209.db2.gz FQCGRCHCXPMADF-UHFFFAOYSA-N 0 3 242.275 0.124 20 0 BCADHN C[C@@H](O)CN1CCN([C@@H](C)C2CC2)CC1 ZINC000782182701 585810268 /nfs/dbraw/zinc/81/02/68/585810268.db2.gz FNWQWECICLIKAB-MNOVXSKESA-N 0 3 212.337 0.783 20 0 BCADHN C[C@H](C1CC1)N1CCN(C[C@H](C)O)CC1 ZINC000782182703 585810544 /nfs/dbraw/zinc/81/05/44/585810544.db2.gz FNWQWECICLIKAB-WDEREUQCSA-N 0 3 212.337 0.783 20 0 BCADHN CCNS(=O)(=O)[C@@H]1CCN([C@H](C)C2CC2)C1 ZINC000782188293 585811113 /nfs/dbraw/zinc/81/11/13/585811113.db2.gz BTANARHRXCNIQR-MWLCHTKSSA-N 0 3 246.376 0.799 20 0 BCADHN CNC(=O)[C@@H]1CN([C@H](C)C2CC2)CCO1 ZINC000782193984 585811893 /nfs/dbraw/zinc/81/18/93/585811893.db2.gz SLTBKLKTWGAXTA-SCZZXKLOSA-N 0 3 212.293 0.232 20 0 BCADHN CO[C@H](C)CN1CCN(CCCCO)CC1 ZINC000782484534 585818761 /nfs/dbraw/zinc/81/87/61/585818761.db2.gz BCFPJWFBPDGJFU-GFCCVEGCSA-N 0 3 230.352 0.411 20 0 BCADHN CO[C@@H](C)CN(C)CCN1CCOC1=O ZINC000782478258 585818876 /nfs/dbraw/zinc/81/88/76/585818876.db2.gz OYMIWOZITZSTOL-VIFPVBQESA-N 0 3 216.281 0.405 20 0 BCADHN COCCCN(CCO)CCC(=O)C1CC1 ZINC000782577205 585820195 /nfs/dbraw/zinc/82/01/95/585820195.db2.gz OKBVJATXZSPOCZ-UHFFFAOYSA-N 0 3 229.320 0.686 20 0 BCADHN OC[C@]12C[C@H]1CN(CCc1ccncc1)C2 ZINC000782607320 585821588 /nfs/dbraw/zinc/82/15/88/585821588.db2.gz UNKIEBQABHIMFU-QWHCGFSZSA-N 0 3 218.300 0.938 20 0 BCADHN CCOC(=O)CCCN1C[C@H]2C[C@@]2(CO)C1 ZINC000782610045 585822053 /nfs/dbraw/zinc/82/20/53/585822053.db2.gz UFRZYSNUSCLDQL-PWSUYJOCSA-N 0 3 227.304 0.644 20 0 BCADHN OC[C@@]12C[C@@H]1CN(CCC1OCCCO1)C2 ZINC000782619914 585822734 /nfs/dbraw/zinc/82/27/34/585822734.db2.gz SVSQZAXVGUIWEF-PWSUYJOCSA-N 0 3 227.304 0.454 20 0 BCADHN Cn1cc(CCCN2C[C@H]3C[C@@]3(CO)C2)cn1 ZINC000782619873 585822921 /nfs/dbraw/zinc/82/29/21/585822921.db2.gz SJIQMXVOYDVNBU-OLZOCXBDSA-N 0 3 235.331 0.667 20 0 BCADHN O=C1OCC[C@@H]1CCN1C[C@@H]2C[C@]2(CO)C1 ZINC000782622607 585823116 /nfs/dbraw/zinc/82/31/16/585823116.db2.gz XEZNSANXENKMAH-JBLDHEPKSA-N 0 3 225.288 0.254 20 0 BCADHN OC[C@]12C[C@H]1CN(CC1=CCCOC1)C2 ZINC000783738062 585841562 /nfs/dbraw/zinc/84/15/62/585841562.db2.gz BATCFHYYFLZERK-NWDGAFQWSA-N 0 3 209.289 0.647 20 0 BCADHN CN(C)C1(CNC(=O)[C@H](O)C(C)(C)C)CCC1 ZINC000783753174 585842230 /nfs/dbraw/zinc/84/22/30/585842230.db2.gz KRCMILXGLVGAGQ-JTQLQIEISA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@@H](C(=O)N1C[C@H]2C[C@@]2(CO)C1)N(C)C ZINC000783787255 585843236 /nfs/dbraw/zinc/84/32/36/585843236.db2.gz RIJNRPJGADXLTK-MDZLAQPJSA-N 0 3 240.347 0.413 20 0 BCADHN CC[C@H](C(=O)N1C[C@H]2C[C@@]2(CO)C1)N(C)C ZINC000783818017 585843874 /nfs/dbraw/zinc/84/38/74/585843874.db2.gz GLBVNSXYYBLAQZ-FOGDFJRCSA-N 0 3 226.320 0.167 20 0 BCADHN CC[C@]1(CO)CCCN1CC(=O)N(C)OC ZINC000784388649 585857902 /nfs/dbraw/zinc/85/79/02/585857902.db2.gz KNVKBPCEQLMVFM-LLVKDONJSA-N 0 3 230.308 0.243 20 0 BCADHN CC(C)[C@H](F)C(=O)NC[C@](C)(O)CN(C)C ZINC000784449550 585860050 /nfs/dbraw/zinc/86/00/50/585860050.db2.gz AZJWQZPVIQKQJJ-ONGXEEELSA-N 0 3 234.315 0.409 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H](F)C(C)C ZINC000784524519 585862288 /nfs/dbraw/zinc/86/22/88/585862288.db2.gz LJDGYQZJFUNMGX-JTQLQIEISA-N 0 3 234.315 0.411 20 0 BCADHN C[C@@H](O)CN(CCC(=O)C1CC1)[C@@H](C)CO ZINC000785537221 585875422 /nfs/dbraw/zinc/87/54/22/585875422.db2.gz OTEPXMQIWRZBGB-VHSXEESVSA-N 0 3 229.320 0.419 20 0 BCADHN CON(C)C(=O)CN1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000785545520 585875639 /nfs/dbraw/zinc/87/56/39/585875639.db2.gz HOEQHPMORUJWSH-AXFHLTTASA-N 0 3 244.335 0.488 20 0 BCADHN Cc1cc(N2C[C@@H](C)N(C)C[C@@H]2C)nc(N)n1 ZINC000785836791 585881673 /nfs/dbraw/zinc/88/16/73/585881673.db2.gz GFJFGWLPPMNALB-ZJUUUORDSA-N 0 3 235.335 0.896 20 0 BCADHN CON(C)C(=O)C1CCN(C2CC2)CC1 ZINC000786827537 585897887 /nfs/dbraw/zinc/89/78/87/585897887.db2.gz LICDIVCLJUCCPG-UHFFFAOYSA-N 0 3 212.293 0.881 20 0 BCADHN CCN(CC[C@@H]1CCCO1)CC(=O)NC ZINC000787182432 585902539 /nfs/dbraw/zinc/90/25/39/585902539.db2.gz HLGZFENYRVTNID-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CNC(=O)OC[C@@H]1CCCCN1C[C@H](C)CO ZINC000805828721 585903214 /nfs/dbraw/zinc/90/32/14/585903214.db2.gz PLPNTMYMXZOAMF-QWRGUYRKSA-N 0 3 244.335 0.825 20 0 BCADHN CO[C@H]1CC(=O)N(CN2CC[C@@H](C3CC3)C2)C1 ZINC000787227751 585903714 /nfs/dbraw/zinc/90/37/14/585903714.db2.gz MWAWDJGSQFVKBL-NEPJUHHUSA-N 0 3 238.331 0.923 20 0 BCADHN C[C@@H]1CN(CCOCC(F)F)CCN1C ZINC000787272567 585904198 /nfs/dbraw/zinc/90/41/98/585904198.db2.gz UEHUKZNSWXSBLW-SECBINFHSA-N 0 3 222.279 0.904 20 0 BCADHN CN(C)Cc1ccc(C(=O)NOCCO)cc1 ZINC000787293963 585905436 /nfs/dbraw/zinc/90/54/36/585905436.db2.gz NGDBJWDNJSSAGL-UHFFFAOYSA-N 0 3 238.287 0.402 20 0 BCADHN COC(=O)[C@H]1CCN(CCC(C)=O)[C@@H]1C ZINC000787327021 585906702 /nfs/dbraw/zinc/90/67/02/585906702.db2.gz LCRQMRNVDKCVOB-ZJUUUORDSA-N 0 3 213.277 0.849 20 0 BCADHN CN(C)CCN(CCN(C)C)C(=O)C(F)F ZINC000787322330 585906760 /nfs/dbraw/zinc/90/67/60/585906760.db2.gz DKACKALUNYXHQD-UHFFFAOYSA-N 0 3 237.294 0.203 20 0 BCADHN CN(CCCN1CCN(C)CC1)C(=O)C(F)F ZINC000787345693 585907558 /nfs/dbraw/zinc/90/75/58/585907558.db2.gz MADPBTKBTKEBOT-UHFFFAOYSA-N 0 3 249.305 0.347 20 0 BCADHN O[C@H]1CN(CCN2CCCC2)CC(F)(F)C1 ZINC000787360180 585907609 /nfs/dbraw/zinc/90/76/09/585907609.db2.gz FXSJFOPWZQMNLA-SNVBAGLBSA-N 0 3 234.290 0.784 20 0 BCADHN O[C@@H]1CN(CCN2CCCC2)CC(F)(F)C1 ZINC000787360168 585907836 /nfs/dbraw/zinc/90/78/36/585907836.db2.gz FXSJFOPWZQMNLA-JTQLQIEISA-N 0 3 234.290 0.784 20 0 BCADHN COC(=O)[C@@H]1CCN(Cc2cn[nH]c2)[C@H]1C ZINC000787421143 585909153 /nfs/dbraw/zinc/90/91/53/585909153.db2.gz NUQKENZQLXYDRA-WCBMZHEXSA-N 0 3 223.276 0.793 20 0 BCADHN COC(=O)[C@H]1CCN(Cc2cn[nH]c2)[C@H]1C ZINC000787421144 585909188 /nfs/dbraw/zinc/90/91/88/585909188.db2.gz NUQKENZQLXYDRA-WPRPVWTQSA-N 0 3 223.276 0.793 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN2CC[C@H](CO)C2)C1(F)F ZINC000787774688 585915706 /nfs/dbraw/zinc/91/57/06/585915706.db2.gz UJXJCYYNYKWXKF-YIZRAAEISA-N 0 3 249.257 0.355 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN2CC[C@@H](CO)C2)C1(F)F ZINC000787774686 585915774 /nfs/dbraw/zinc/91/57/74/585915774.db2.gz UJXJCYYNYKWXKF-VGMNWLOBSA-N 0 3 249.257 0.355 20 0 BCADHN C[N@@H+]1CC[C@@H](C(=O)[N-]OC[C@H]2CCOC2)C1 ZINC000788572657 585927251 /nfs/dbraw/zinc/92/72/51/585927251.db2.gz WKWVUCSJQKTAJE-VHSXEESVSA-N 0 3 228.292 0.022 20 0 BCADHN 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/nfs/dbraw/zinc/96/48/80/585964880.db2.gz DNMIXQYKCWYAPN-NXEZZACHSA-N 0 3 239.315 0.785 20 0 BCADHN Cc1c(CN(C)CCC2OCCO2)cnn1C ZINC000790448576 585964888 /nfs/dbraw/zinc/96/48/88/585964888.db2.gz SNIPLTLPICFQOD-UHFFFAOYSA-N 0 3 239.319 0.923 20 0 BCADHN CC1(C)CN(C[C@@H]2CC3(CC3)C(=O)O2)C[C@@H]1O ZINC000790448828 585965039 /nfs/dbraw/zinc/96/50/39/585965039.db2.gz DNMIXQYKCWYAPN-UWVGGRQHSA-N 0 3 239.315 0.785 20 0 BCADHN CN(C)CCNC(=S)NC[C@@H]1CCSC1 ZINC000790602183 585966871 /nfs/dbraw/zinc/96/68/71/585966871.db2.gz BCUZORFGRUPWRW-VIFPVBQESA-N 0 3 247.433 0.765 20 0 BCADHN COC/C=C/C(=O)N(C)C1CCN(C)CC1 ZINC000791288765 585976114 /nfs/dbraw/zinc/97/61/14/585976114.db2.gz AXHCGWNVSDFVGT-SNAWJCMRSA-N 0 3 226.320 0.742 20 0 BCADHN COC/C=C\C(=O)NCCN1CCCCC1 ZINC000791327940 585976688 /nfs/dbraw/zinc/97/66/88/585976688.db2.gz RZCALJRNZFATCN-WAYWQWQTSA-N 0 3 226.320 0.791 20 0 BCADHN C[C@@]1(O)CCCN(CC2OCCO2)CC1 ZINC000791632110 585985597 /nfs/dbraw/zinc/98/55/97/585985597.db2.gz 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CC[C@@]1(C)CCN([C@H]2CCC(=O)NC2=O)C1 ZINC000799128383 586161141 /nfs/dbraw/zinc/16/11/41/586161141.db2.gz PUTGNCRXHPRAAG-CABZTGNLSA-N 0 3 224.304 0.914 20 0 BCADHN CO[C@H]1CCCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799163944 586162619 /nfs/dbraw/zinc/16/26/19/586162619.db2.gz XHPPRNSWGKJACE-VHSXEESVSA-N 0 3 240.303 0.293 20 0 BCADHN CO[C@]1(C)CCCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000799168908 586164561 /nfs/dbraw/zinc/16/45/61/586164561.db2.gz YVVRUPZCEXBLOH-BXKDBHETSA-N 0 3 240.303 0.293 20 0 BCADHN CC1=C(C)CN([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799169687 586164814 /nfs/dbraw/zinc/16/48/14/586164814.db2.gz NOEKXLHRPCCNBM-SNVBAGLBSA-N 0 3 222.288 0.834 20 0 BCADHN C[C@H]1CCN([C@@H]2CCC(=O)NC2=O)CCS1 ZINC000799168282 586165024 /nfs/dbraw/zinc/16/50/24/586165024.db2.gz IVEICKOKONHHMU-DTWKUNHWSA-N 0 3 242.344 0.619 20 0 BCADHN CC[C@H](CO)N[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000799223324 586167073 /nfs/dbraw/zinc/16/70/73/586167073.db2.gz FMYHBFWEWVMLBX-MXWKQRLJSA-N 0 3 244.335 0.031 20 0 BCADHN COC[C@@H](O)CN1CC[C@H](c2ccccn2)C1 ZINC000799196187 586167574 /nfs/dbraw/zinc/16/75/74/586167574.db2.gz PLJVMSKBKPOFTH-RYUDHWBXSA-N 0 3 236.315 0.878 20 0 BCADHN CC[C@@H]1CN(CCN2CCOC2=O)CCCO1 ZINC000799200335 586167912 /nfs/dbraw/zinc/16/79/12/586167912.db2.gz IAXGZMNJOPIWOY-LLVKDONJSA-N 0 3 242.319 0.940 20 0 BCADHN C[C@H](O)CN(C)C[C@H](O)c1ccc(F)cn1 ZINC000799302889 586168694 /nfs/dbraw/zinc/16/86/94/586168694.db2.gz AZIKSVLPJWPDHI-KWQFWETISA-N 0 3 228.267 0.567 20 0 BCADHN CCN(CCO)C[C@@H](O)c1ccc(F)cn1 ZINC000799301958 586170138 /nfs/dbraw/zinc/17/01/38/586170138.db2.gz WTDLPYDJWWVPRH-LLVKDONJSA-N 0 3 228.267 0.568 20 0 BCADHN C[C@]1(O)CCN(C[C@H](O)c2ccc(F)cn2)C1 ZINC000799305918 586170205 /nfs/dbraw/zinc/17/02/05/586170205.db2.gz OLWSEHUNMUQXFL-RYUDHWBXSA-N 0 3 240.278 0.711 20 0 BCADHN C[C@@H](O)CCN(C)C[C@H](O)c1ccc(F)cn1 ZINC000799303005 586170506 /nfs/dbraw/zinc/17/05/06/586170506.db2.gz FKNIIGLOCYZKIZ-SKDRFNHKSA-N 0 3 242.294 0.957 20 0 BCADHN COC(=O)CC1(CN2CCN(C)[C@@H](C)C2)CC1 ZINC000799310662 586171059 /nfs/dbraw/zinc/17/10/59/586171059.db2.gz JENQQANWHPCODL-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C[C@H](O)c1ccc(F)cn1 ZINC000799310993 586171240 /nfs/dbraw/zinc/17/12/40/586171240.db2.gz PCRGOZJCNIJJHG-QRTLGDNMSA-N 0 3 240.278 0.709 20 0 BCADHN COC(=O)CC1(CN2CCN(C)[C@H](C)C2)CC1 ZINC000799310658 586171328 /nfs/dbraw/zinc/17/13/28/586171328.db2.gz JENQQANWHPCODL-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@H](O)CN(C)[C@@H](CO)COC(C)C ZINC000799324339 586171787 /nfs/dbraw/zinc/17/17/87/586171787.db2.gz PKTJXCJHDRHLKL-QWRGUYRKSA-N 0 3 219.325 0.475 20 0 BCADHN CC[C@H](O)CN(C)[C@H](CO)COC(C)C ZINC000799324329 586171897 /nfs/dbraw/zinc/17/18/97/586171897.db2.gz PKTJXCJHDRHLKL-MNOVXSKESA-N 0 3 219.325 0.475 20 0 BCADHN CCN(CC[C@@H]1CCOC1=O)[C@@H]1CCNC1=O ZINC000799353027 586173303 /nfs/dbraw/zinc/17/33/03/586173303.db2.gz XVFQGUYCDTXLNI-NXEZZACHSA-N 0 3 240.303 0.150 20 0 BCADHN CCN(CCCCCCO)[C@@H]1CCNC1=O ZINC000799354189 586173544 /nfs/dbraw/zinc/17/35/44/586173544.db2.gz NHDDYRHXOLEZME-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN CS(=O)(=O)CC(=O)OCCCN1CCCC1 ZINC000800147082 586205562 /nfs/dbraw/zinc/20/55/62/586205562.db2.gz IFENZMXXKNFAOD-UHFFFAOYSA-N 0 3 249.332 0.060 20 0 BCADHN CN1CCC[C@H]1CNC(=O)OCCF ZINC000859394074 589034761 /nfs/dbraw/zinc/03/47/61/589034761.db2.gz WBGWRAYDEHRGIQ-QMMMGPOBSA-N 0 3 204.245 0.776 20 0 BCADHN C[C@@H]1CN(CCN2CCO[C@@H](C)C2)CCN1C ZINC000800367012 586213825 /nfs/dbraw/zinc/21/38/25/586213825.db2.gz QVEMJHMTMUCFIQ-OLZOCXBDSA-N 0 3 241.379 0.343 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@@H]3C[C@@H]32)CCO1 ZINC000800366851 586213899 /nfs/dbraw/zinc/21/38/99/586213899.db2.gz KZOOJXPVBIWGRQ-UTUOFQBUSA-N 0 3 210.321 0.801 20 0 BCADHN CO[C@@H]1CC[C@H](OC(=O)C2CCN(C)C2=O)C1 ZINC000800462991 586220896 /nfs/dbraw/zinc/22/08/96/586220896.db2.gz KBZSQYYGIISNQT-KXUCPTDWSA-N 0 3 241.287 0.575 20 0 BCADHN CN(CCOCCO)C[C@H]1CC2(CC2)C(=O)O1 ZINC000800507111 586223576 /nfs/dbraw/zinc/22/35/76/586223576.db2.gz KQKLIVKEENKDPW-SNVBAGLBSA-N 0 3 243.303 0.023 20 0 BCADHN CCOC(=O)CCN(C)CCC(=O)N(C)OC ZINC000808718573 586240009 /nfs/dbraw/zinc/24/00/09/586240009.db2.gz NXWVSRKVYZTYBQ-UHFFFAOYSA-N 0 3 246.307 0.281 20 0 BCADHN COc1ccc(CN[C@@H](CCO)C2CC2)nn1 ZINC000801539142 586261217 /nfs/dbraw/zinc/26/12/17/586261217.db2.gz BRWVNHMLIPICCF-NSHDSACASA-N 0 3 237.303 0.736 20 0 BCADHN CSC[C@@H](O)CNC[C@H](O)c1ccc(C)o1 ZINC000843084415 586269403 /nfs/dbraw/zinc/26/94/03/586269403.db2.gz AAIFXBPBSXZGSR-UWVGGRQHSA-N 0 3 245.344 0.935 20 0 BCADHN C[C@H](OC(=O)CC[C@@H]1CCCCN1C)C(N)=O ZINC000803854242 586378250 /nfs/dbraw/zinc/37/82/50/586378250.db2.gz MGHMRYGOYURRKA-UWVGGRQHSA-N 0 3 242.319 0.668 20 0 BCADHN C[C@@H](O)CN[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000843106656 586385473 /nfs/dbraw/zinc/38/54/73/586385473.db2.gz KPNPAMZYSVEUGV-RTXFEEFZSA-N 0 3 239.315 0.441 20 0 BCADHN C[C@@H](O)CN[C@H](CO)C[C@H](O)c1ccccc1 ZINC000843106659 586385607 /nfs/dbraw/zinc/38/56/07/586385607.db2.gz KPNPAMZYSVEUGV-WXHSDQCUSA-N 0 3 239.315 0.441 20 0 BCADHN CN(C)C1(C(=O)N(CCO)CC2CC2)CCC1 ZINC000804251683 586386239 /nfs/dbraw/zinc/38/62/39/586386239.db2.gz OMTFDFPSYNQBMT-UHFFFAOYSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NCc1cnn(C)n1 ZINC000806168683 586406870 /nfs/dbraw/zinc/40/68/70/586406870.db2.gz XBODUEORLJZDPC-CABZTGNLSA-N 0 3 235.335 0.387 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NCc1cnn(C)n1 ZINC000806168684 586407079 /nfs/dbraw/zinc/40/70/79/586407079.db2.gz XBODUEORLJZDPC-JOYOIKCWSA-N 0 3 235.335 0.387 20 0 BCADHN CC(=O)CCC(=O)NOC1CCN(C)CC1 ZINC000808024285 586459687 /nfs/dbraw/zinc/45/96/87/586459687.db2.gz GUTYWBNODHRVCW-UHFFFAOYSA-N 0 3 228.292 0.498 20 0 BCADHN C/C(=C/C(=O)N[C@H](CO)CN(C)C)C1CC1 ZINC000808170620 586466020 /nfs/dbraw/zinc/46/60/20/586466020.db2.gz QBJWVEPNNZSRDY-WDDYJBPVSA-N 0 3 226.320 0.381 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)C=C1CCCCC1 ZINC000808169464 586466373 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20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)c1ncn(C)n1 ZINC000810436654 586539009 /nfs/dbraw/zinc/53/90/09/586539009.db2.gz RALUXVZSBKCZBA-SECBINFHSA-N 0 3 239.323 0.131 20 0 BCADHN Cc1c[nH]nc1CN[C@H]1CCCC[C@@H]1C(N)=O ZINC000811490663 586560021 /nfs/dbraw/zinc/56/00/21/586560021.db2.gz VWLFOSMEMHNFBA-UWVGGRQHSA-N 0 3 236.319 0.852 20 0 BCADHN CO[C@@H](C)[C@@H](C)NC(=S)NCCN(C)C ZINC000811714764 586566121 /nfs/dbraw/zinc/56/61/21/586566121.db2.gz NDLZLBMMCBWOFN-BDAKNGLRSA-N 0 3 233.381 0.436 20 0 BCADHN Cc1nc(C(=O)N2C[C@H]3CCN(C)C[C@H]3C2)c[nH]1 ZINC000812336150 586573778 /nfs/dbraw/zinc/57/37/78/586573778.db2.gz ZIEZSJZDYNXCRJ-MNOVXSKESA-N 0 3 248.330 0.742 20 0 BCADHN C[N@@H+]1CC[C@@H](C(=O)[N-]OC/C=C/Cl)C1 ZINC000812403255 586575959 /nfs/dbraw/zinc/57/59/59/586575959.db2.gz PRNPKMYXVOHUIQ-BYDTYLDUSA-N 0 3 218.684 0.738 20 0 BCADHN C[N@H+]1CC[C@@H](C(=O)[N-]OC/C=C/Cl)C1 ZINC000812403255 586575960 /nfs/dbraw/zinc/57/59/60/586575960.db2.gz PRNPKMYXVOHUIQ-BYDTYLDUSA-N 0 3 218.684 0.738 20 0 BCADHN Cc1ccc(N2C(=O)N[C@@H](CN(C)C)C2=O)cc1 ZINC000813355191 586600941 /nfs/dbraw/zinc/60/09/41/586600941.db2.gz DFKUBMYWGBICSC-NSHDSACASA-N 0 3 247.298 0.981 20 0 BCADHN Cc1cccc(N2C(=O)N[C@@H](CN(C)C)C2=O)c1 ZINC000813356001 586601063 /nfs/dbraw/zinc/60/10/63/586601063.db2.gz SNKRCTHRFPPYMR-NSHDSACASA-N 0 3 247.298 0.981 20 0 BCADHN Cn1nncc1NC(=O)C1CCN(C2CC2)CC1 ZINC000813371344 586601489 /nfs/dbraw/zinc/60/14/89/586601489.db2.gz XBBAPXWZJMGHPD-UHFFFAOYSA-N 0 3 249.318 0.628 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(c3cc(C)nc(N)n3)C[C@@H]21 ZINC000813621506 586604819 /nfs/dbraw/zinc/60/48/19/586604819.db2.gz YMUKVEFWRUULDX-MBTKJCJQSA-N 0 3 248.286 0.222 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3nccn3C)[C@@H]2C1 ZINC000813820764 586606774 /nfs/dbraw/zinc/60/67/74/586606774.db2.gz KBOMLRHDURUIQB-VHSXEESVSA-N 0 3 234.303 0.196 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)N2CCCC2)C1 ZINC000813821072 586606892 /nfs/dbraw/zinc/60/68/92/586606892.db2.gz ODSKATWTDNCSKC-QWRGUYRKSA-N 0 3 223.320 0.838 20 0 BCADHN 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ZINC000817043796 586779824 /nfs/dbraw/zinc/77/98/24/586779824.db2.gz QOOBOEDWJNNZTH-LBPRGKRZSA-N 0 3 249.318 0.281 20 0 BCADHN CN(C[C@@H]1CCCN1C)[C@H]1CCOC1=O ZINC000817289607 586793480 /nfs/dbraw/zinc/79/34/80/586793480.db2.gz ABMRRFUEGSYKSD-UWVGGRQHSA-N 0 3 212.293 0.328 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)[C@@H](O)C(C)(C)C ZINC000817679505 586817444 /nfs/dbraw/zinc/81/74/44/586817444.db2.gz TZNQVIDBKCAZNK-GHMZBOCLSA-N 0 3 242.363 0.946 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@H]1NCCSC ZINC000817894785 586834042 /nfs/dbraw/zinc/83/40/42/586834042.db2.gz OQQPUYUOWCNZBZ-BDAKNGLRSA-N 0 3 232.349 0.233 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCSC ZINC000817894786 586834083 /nfs/dbraw/zinc/83/40/83/586834083.db2.gz OQQPUYUOWCNZBZ-DTWKUNHWSA-N 0 3 232.349 0.233 20 0 BCADHN CN(CCN)C(=O)C(=O)N1CCCCCCC1 ZINC000817911692 586838020 /nfs/dbraw/zinc/83/80/20/586838020.db2.gz CGWANFMKQCQOFW-UHFFFAOYSA-N 0 3 241.335 0.196 20 0 BCADHN N[C@H](C(=O)NCC(=O)OCC1CC1)C1CCC1 ZINC000817930757 586842494 /nfs/dbraw/zinc/84/24/94/586842494.db2.gz FQZGZFOHCBWKIP-NSHDSACASA-N 0 3 240.303 0.183 20 0 BCADHN CCC/C(C)=C/C(=O)NC[C@@H]1CNCCO1 ZINC000818011577 586864213 /nfs/dbraw/zinc/86/42/13/586864213.db2.gz IXZHOYSSWPPDBS-HUYFXPKMSA-N 0 3 226.320 0.837 20 0 BCADHN CCC(=CC(=O)NC[C@@H]1CNCCO1)CC ZINC000818013010 586864492 /nfs/dbraw/zinc/86/44/92/586864492.db2.gz ZXELAHLPQVHVGC-NSHDSACASA-N 0 3 226.320 0.837 20 0 BCADHN CCOCCN(C)C[C@H]1CCC(=O)O1 ZINC000818028684 586865277 /nfs/dbraw/zinc/86/52/77/586865277.db2.gz SXYQCOIAVFWCTQ-SECBINFHSA-N 0 3 201.266 0.660 20 0 BCADHN CC(=O)N(C)c1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000818046659 586867186 /nfs/dbraw/zinc/86/71/86/586867186.db2.gz HTHBERCOXNSMNH-NEPJUHHUSA-N 0 3 247.298 0.955 20 0 BCADHN CNC(=O)Cc1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000818059843 586867783 /nfs/dbraw/zinc/86/77/83/586867783.db2.gz WXOJROVHRVPINS-MNOVXSKESA-N 0 3 247.298 0.261 20 0 BCADHN CC(C)(C)SCCNC(=O)[C@@H]1C[C@@H]1N ZINC000818068223 586869233 /nfs/dbraw/zinc/86/92/33/586869233.db2.gz HGMUIBDZXOWCIY-SFYZADRCSA-N 0 3 216.350 0.982 20 0 BCADHN CN(Cc1cccc(C(N)=O)c1)C(=O)[C@@H]1C[C@@H]1N ZINC000818089444 586872428 /nfs/dbraw/zinc/87/24/28/586872428.db2.gz GUQFKGNCHQEJHF-MNOVXSKESA-N 0 3 247.298 0.091 20 0 BCADHN CCCCC[C@H](NC(=O)[C@@H]1C[C@@H]1N)C(=O)OC ZINC000818141049 586876453 /nfs/dbraw/zinc/87/64/53/586876453.db2.gz HRCJCWRXCAMXQX-UTLUCORTSA-N 0 3 242.319 0.572 20 0 BCADHN CC[C@](C)(CC(=O)OC)NC(=O)[C@@H]1C[C@@H]1N ZINC000818153327 586877192 /nfs/dbraw/zinc/87/71/92/586877192.db2.gz KGUQLIJFHDSBIJ-VHSKPIJISA-N 0 3 228.292 0.182 20 0 BCADHN COC(=O)C1(C)CN(C[C@@H](O)C2CC2)C1 ZINC000818174524 586879002 /nfs/dbraw/zinc/87/90/02/586879002.db2.gz FRQOQTUUGKWPGD-SECBINFHSA-N 0 3 213.277 0.252 20 0 BCADHN Cc1noc(C)c1CCCNC(=O)C1(N)CC1 ZINC000818462749 586891638 /nfs/dbraw/zinc/89/16/38/586891638.db2.gz QSJNDNGPJYEXRH-UHFFFAOYSA-N 0 3 237.303 0.832 20 0 BCADHN CCNCC(=O)N[C@@](C)(CC)CC(=O)OC ZINC000818493026 586892126 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PWDRFMDDFZBYLR-WAAGHKOSSA-N 0 3 237.278 0.916 20 0 BCADHN CCNCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000818596986 586904487 /nfs/dbraw/zinc/90/44/87/586904487.db2.gz PGNWMDRHCDRAOY-UHFFFAOYSA-N 0 3 249.314 0.717 20 0 BCADHN CCNCC(=O)Nc1cccc(N(C)C)n1 ZINC000818609047 586906163 /nfs/dbraw/zinc/90/61/63/586906163.db2.gz PFIGMVXAONEGQW-UHFFFAOYSA-N 0 3 222.292 0.696 20 0 BCADHN CCNCC(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC000818613524 586906825 /nfs/dbraw/zinc/90/68/25/586906825.db2.gz RZQVYDCMNYCHFE-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN CCCCCC[C@H](O)CNCC(=O)N(C)C ZINC000818941364 586916969 /nfs/dbraw/zinc/91/69/69/586916969.db2.gz UCNSUVMPRLAPKF-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN CCc1cc(CNC[C@H](O)COC)[nH]n1 ZINC000819053203 586927668 /nfs/dbraw/zinc/92/76/68/586927668.db2.gz HLHSHKRVXNXSPU-JTQLQIEISA-N 0 3 213.281 0.069 20 0 BCADHN NC(=O)CCNC[C@@H]1CC1(Cl)Cl ZINC000818950356 586917495 /nfs/dbraw/zinc/91/74/95/586917495.db2.gz VNRLMUGGMPNTCF-YFKPBYRVSA-N 0 3 211.092 0.645 20 0 BCADHN Cc1ccc([C@@H](O)CN[C@@H]2CC(=O)N(C)C2)cc1 ZINC000818996005 586921522 /nfs/dbraw/zinc/92/15/22/586921522.db2.gz ZZQJWERKAHTSJA-OLZOCXBDSA-N 0 3 248.326 0.849 20 0 BCADHN CC(C)N1C[C@H](NC[C@@H](O)C2CC2)CC1=O ZINC000818996460 586921631 /nfs/dbraw/zinc/92/16/31/586921631.db2.gz QXZVBIWDAAEHJZ-GHMZBOCLSA-N 0 3 226.320 0.356 20 0 BCADHN CN1CCC(NC(=O)/C=C/[C@@H]2CCCO2)CC1 ZINC000819027516 586925681 /nfs/dbraw/zinc/92/56/81/586925681.db2.gz DZMBAWVSDGXAGM-ITKZLYELSA-N 0 3 238.331 0.932 20 0 BCADHN CCc1cc(CNC[C@H](O)COC)n[nH]1 ZINC000819053203 586927666 /nfs/dbraw/zinc/92/76/66/586927666.db2.gz HLHSHKRVXNXSPU-JTQLQIEISA-N 0 3 213.281 0.069 20 0 BCADHN CCc1cc(CNC[C@@H](O)C2CC2)n[nH]1 ZINC000819052658 586927990 /nfs/dbraw/zinc/92/79/90/586927990.db2.gz BMFBUQNEVKRMMX-LLVKDONJSA-N 0 3 209.293 0.833 20 0 BCADHN CCc1cc(CNC[C@@H](O)C2CC2)[nH]n1 ZINC000819052658 586927991 /nfs/dbraw/zinc/92/79/91/586927991.db2.gz BMFBUQNEVKRMMX-LLVKDONJSA-N 0 3 209.293 0.833 20 0 BCADHN C[Si](C)(C)CN1CCO[C@H](CC(N)=O)C1 ZINC000860020838 589075818 /nfs/dbraw/zinc/07/58/18/589075818.db2.gz QANJRWFJPIVOHR-SECBINFHSA-N 0 3 230.384 0.440 20 0 BCADHN CC1(C)OC[C@@H](CNC[C@H](O)C(F)(F)F)O1 ZINC000819153968 586933616 /nfs/dbraw/zinc/93/36/16/586933616.db2.gz DHZAEZBWZFJCRA-RQJHMYQMSA-N 0 3 243.225 0.651 20 0 BCADHN Cc1ncc(CCNCCS(C)(=O)=O)s1 ZINC000819178929 586934181 /nfs/dbraw/zinc/93/41/81/586934181.db2.gz GAWMWHFLRVTZKT-UHFFFAOYSA-N 0 3 248.373 0.628 20 0 BCADHN CN(CCNC(=O)/C=C/[C@H]1CCCO1)C1CC1 ZINC000819160476 586934299 /nfs/dbraw/zinc/93/42/99/586934299.db2.gz GDRRSXRYUKOKCU-NNNHXZLVSA-N 0 3 238.331 0.932 20 0 BCADHN O=S(=O)(CCNC[C@H](O)C1CC1)CC1CC1 ZINC000819173190 586935102 /nfs/dbraw/zinc/93/51/02/586935102.db2.gz KLKMHKODQZQJGS-NSHDSACASA-N 0 3 247.360 0.172 20 0 BCADHN O[C@H](CN[C@@H]1CCOC1)c1ccc(F)cn1 ZINC000819187954 586936799 /nfs/dbraw/zinc/93/67/99/586936799.db2.gz XEHUIHKGKLAMTP-MWLCHTKSSA-N 0 3 226.251 0.633 20 0 BCADHN Cc1ccc(CNC[C@H](O)C2CC2)c(=O)n1C ZINC000819269395 586945269 /nfs/dbraw/zinc/94/52/69/586945269.db2.gz HBOJFGTZFKPOCN-LBPRGKRZSA-N 0 3 236.315 0.554 20 0 BCADHN CCn1cccc(CNC[C@@H](O)C2CC2)c1=O ZINC000819272114 586945753 /nfs/dbraw/zinc/94/57/53/586945753.db2.gz MAPGFUBZLATNBL-GFCCVEGCSA-N 0 3 236.315 0.729 20 0 BCADHN CCn1cccc(CNC[C@H](O)C2CC2)c1=O ZINC000819272115 586946004 /nfs/dbraw/zinc/94/60/04/586946004.db2.gz MAPGFUBZLATNBL-LBPRGKRZSA-N 0 3 236.315 0.729 20 0 BCADHN C[C@H](NC[C@@H](O)C1CC1)C1(S(C)(=O)=O)CC1 ZINC000819305624 586949825 /nfs/dbraw/zinc/94/98/25/586949825.db2.gz SIQDOZFXCMVDAC-WCBMZHEXSA-N 0 3 247.360 0.313 20 0 BCADHN O[C@H](CNCc1n[nH]c(C2CC2)n1)C1CC1 ZINC000819340553 586954610 /nfs/dbraw/zinc/95/46/10/586954610.db2.gz BLKCPDKUBYHECF-SECBINFHSA-N 0 3 222.292 0.543 20 0 BCADHN CO[C@](C)([C@H](C)NCCS(C)(=O)=O)C1CC1 ZINC000819369513 586957436 /nfs/dbraw/zinc/95/74/36/586957436.db2.gz XMLHPYAYMWUTCF-GXSJLCMTSA-N 0 3 249.376 0.824 20 0 BCADHN CCCCCC[C@H](O)CNCC(=O)N(C)OC ZINC000819374912 586958497 /nfs/dbraw/zinc/95/84/97/586958497.db2.gz PGFYRQZPVVNWOJ-NSHDSACASA-N 0 3 246.351 0.927 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)c3ncccn3)[C@@H]2C1 ZINC000819718044 586987808 /nfs/dbraw/zinc/98/78/08/586987808.db2.gz PZKHLFWJNGJGTC-WDEREUQCSA-N 0 3 246.314 0.643 20 0 BCADHN Cc1n[nH]nc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000819719213 586987831 /nfs/dbraw/zinc/98/78/31/586987831.db2.gz PFRBBKDCCWDXHT-VHSXEESVSA-N 0 3 249.318 0.279 20 0 BCADHN O=C(/C=C/C1CC1)N[C@@H](CO)CN1CCCC1 ZINC000819838355 586999657 /nfs/dbraw/zinc/99/96/57/586999657.db2.gz YQZUULOBCQESJQ-BTDICHCPSA-N 0 3 238.331 0.526 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)O ZINC000820001843 587012375 /nfs/dbraw/zinc/01/23/75/587012375.db2.gz ANQCXLYMLJEGRQ-GHMZBOCLSA-N 0 3 228.336 0.698 20 0 BCADHN C[C@@H](O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000820106049 587022286 /nfs/dbraw/zinc/02/22/86/587022286.db2.gz QWKDQGZFTJQZQR-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H](O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000820106050 587022323 /nfs/dbraw/zinc/02/23/23/587022323.db2.gz QWKDQGZFTJQZQR-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H](CNC(=O)c1cc(=O)cc[nH]1)CN(C)C ZINC000820241896 587037430 /nfs/dbraw/zinc/03/74/30/587037430.db2.gz XMOBYDIOSZCKLT-VIFPVBQESA-N 0 3 237.303 0.302 20 0 BCADHN CCC[C@H](O)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000820271014 587039366 /nfs/dbraw/zinc/03/93/66/587039366.db2.gz FDKLYEYOJVIANY-VWYCJHECSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@H]1CN(C(=O)CN2CCCC2)CCN1C ZINC000820295807 587041833 /nfs/dbraw/zinc/04/18/33/587041833.db2.gz OEVCGGFVXMFQQQ-LLVKDONJSA-N 0 3 225.336 0.245 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000820341774 587044219 /nfs/dbraw/zinc/04/42/19/587044219.db2.gz GSNMUKIIGUKRNA-NQBHXWOUSA-N 0 3 238.331 0.576 20 0 BCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)[O-] ZINC000820535199 587052972 /nfs/dbraw/zinc/05/29/72/587052972.db2.gz IRQFMJQABJXDBA-MXWKQRLJSA-N 0 3 242.319 0.255 20 0 BCADHN CN(C)[C@H]1CCCN(S(=O)(=O)C2CCC2)C1 ZINC000820791104 587072519 /nfs/dbraw/zinc/07/25/19/587072519.db2.gz IJJGSIUFNYPTDO-JTQLQIEISA-N 0 3 246.376 0.895 20 0 BCADHN C[C@@H](NC[C@@H](C)CCO)c1cnnn1C ZINC000820812539 587073872 /nfs/dbraw/zinc/07/38/72/587073872.db2.gz NDLVXNWQFZIRPJ-DTWKUNHWSA-N 0 3 212.297 0.484 20 0 BCADHN C[C@H](NCCn1ccnc1)c1cnnn1C ZINC000820805851 587073774 /nfs/dbraw/zinc/07/37/74/587073774.db2.gz SRIVTUPCHOFPED-VIFPVBQESA-N 0 3 220.280 0.362 20 0 BCADHN C[C@@H](CCCO)N[C@@H](C)c1cnnn1C ZINC000820812421 587074160 /nfs/dbraw/zinc/07/41/60/587074160.db2.gz KJKMXAJWFJGZFZ-IUCAKERBSA-N 0 3 212.297 0.627 20 0 BCADHN COc1cc([C@@H](C)NC[C@@H](O)CN(C)C)on1 ZINC000820810558 587074254 /nfs/dbraw/zinc/07/42/54/587074254.db2.gz ZCCWUVWMNIBOJN-RKDXNWHRSA-N 0 3 243.307 0.256 20 0 BCADHN C[C@@H](N[C@@H]1CCc2n[nH]cc2C1)c1cnnn1C ZINC000820823405 587075023 /nfs/dbraw/zinc/07/50/23/587075023.db2.gz NCIKENPFIOQIPU-PSASIEDQSA-N 0 3 246.318 0.746 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)N[C@H]2C=CCC2)C1 ZINC000821074854 587093881 /nfs/dbraw/zinc/09/38/81/587093881.db2.gz NPFYAGDRMLUGHG-CMPLNLGQSA-N 0 3 239.319 0.071 20 0 BCADHN C[C@H]1CC[C@@H](CN2CCCN(C=O)CC2)O1 ZINC000821287473 587104911 /nfs/dbraw/zinc/10/49/11/587104911.db2.gz HJRGCHKHUZEFAP-RYUDHWBXSA-N 0 3 226.320 0.718 20 0 BCADHN CC(C)CN1CCN(C[C@@H]2CCC(=O)O2)CC1 ZINC000821336664 587108626 /nfs/dbraw/zinc/10/86/26/587108626.db2.gz GRVFUOOSZGXEEA-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN O=C(CN1CCCC1)N1CCC(CCO)CC1 ZINC000821344224 587110017 /nfs/dbraw/zinc/11/00/17/587110017.db2.gz MOINHWSAUBWYIV-UHFFFAOYSA-N 0 3 240.347 0.703 20 0 BCADHN OCCN(CCO)Cc1ccc2nonc2c1 ZINC000821367795 587112836 /nfs/dbraw/zinc/11/28/36/587112836.db2.gz GLGMRKNXTQNCQD-UHFFFAOYSA-N 0 3 237.259 0.009 20 0 BCADHN C[C@H](O)CCN(C)C[C@@H]1CCC(=O)O1 ZINC000821380460 587114250 /nfs/dbraw/zinc/11/42/50/587114250.db2.gz QHRKMWJONPAHEN-IUCAKERBSA-N 0 3 201.266 0.395 20 0 BCADHN COC(=O)[C@@]1(C)CCN(C[C@@H]2CCC(=O)O2)C1 ZINC000821387981 587115693 /nfs/dbraw/zinc/11/56/93/587115693.db2.gz ZYQVINRSQZYRFD-CABZTGNLSA-N 0 3 241.287 0.577 20 0 BCADHN NC(=O)C1(NC[C@@H]2CCC(=O)O2)CCCCC1 ZINC000821397012 587116772 /nfs/dbraw/zinc/11/67/72/587116772.db2.gz YGIQZMVAQAJGJL-VIFPVBQESA-N 0 3 240.303 0.470 20 0 BCADHN C[C@@H](NC[C@@H]1CCC(=O)O1)c1cnn(C)c1 ZINC000821401997 587117315 /nfs/dbraw/zinc/11/73/15/587117315.db2.gz KLPBUZDJHQJVIJ-SCZZXKLOSA-N 0 3 223.276 0.776 20 0 BCADHN O=C(CN1CCCC1)N(CCCO)C1CC1 ZINC000821420204 587118545 /nfs/dbraw/zinc/11/85/45/587118545.db2.gz XNEPAVKYDRQGFG-UHFFFAOYSA-N 0 3 226.320 0.456 20 0 BCADHN C[C@@H]1CN(C(=O)CN2CCCC2)[C@H](C)CN1C ZINC000821480675 587121899 /nfs/dbraw/zinc/12/18/99/587121899.db2.gz IPOUIIPOQWTNRW-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN CN(CC[NH+](C)C)c1ncccc1-c1nnn[n-]1 ZINC000821586162 587130548 /nfs/dbraw/zinc/13/05/48/587130548.db2.gz MFLQFBGMBHLGHQ-UHFFFAOYSA-N 0 3 247.306 0.260 20 0 BCADHN C/C=C\C[C@H]1CCCN(CCS(N)(=O)=O)C1 ZINC000860178683 589087266 /nfs/dbraw/zinc/08/72/66/589087266.db2.gz DPIRTMUEMRBIEZ-QUCGXOGASA-N 0 3 246.376 0.953 20 0 BCADHN CC(=O)NC[C@H]1CCCCN1C[C@@H](O)C1CC1 ZINC000860181687 589087500 /nfs/dbraw/zinc/08/75/00/589087500.db2.gz SLGQEDGIZZTCAX-CHWSQXEVSA-N 0 3 240.347 0.748 20 0 BCADHN CCOCCO[N-]C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000822054573 587150440 /nfs/dbraw/zinc/15/04/40/587150440.db2.gz BITWQJCFBUDNAN-SNVBAGLBSA-N 0 3 230.308 0.413 20 0 BCADHN CCOCCO[N-]C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000822054573 587150441 /nfs/dbraw/zinc/15/04/41/587150441.db2.gz BITWQJCFBUDNAN-SNVBAGLBSA-N 0 3 230.308 0.413 20 0 BCADHN O=C(NCCN1CCCC1)[C@H]1CCC=CO1 ZINC000822236971 587159401 /nfs/dbraw/zinc/15/94/01/587159401.db2.gz ZEJNYZURNMKXPF-LLVKDONJSA-N 0 3 224.304 0.891 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCC=CO1)N(C)C ZINC000822456567 587169123 /nfs/dbraw/zinc/16/91/23/587169123.db2.gz AUYNIZAFOGSRMD-UWVGGRQHSA-N 0 3 212.293 0.745 20 0 BCADHN CCn1cc(C(=O)N[C@@H]2CCN(CC)C2)nn1 ZINC000822787792 587186368 /nfs/dbraw/zinc/18/63/68/587186368.db2.gz QBSHYBGQIFELNN-SECBINFHSA-N 0 3 237.307 0.122 20 0 BCADHN CCCN1CCC[C@H]1CNC(=O)C(OC)OC ZINC000822904765 587192786 /nfs/dbraw/zinc/19/27/86/587192786.db2.gz ZPHICRHSMSQKKX-JTQLQIEISA-N 0 3 244.335 0.596 20 0 BCADHN CCC[C@H](CC)C(=O)N[C@@H](CO)CN(C)C ZINC000822933442 587193887 /nfs/dbraw/zinc/19/38/87/587193887.db2.gz HXXJDRZDCJZASM-WDEREUQCSA-N 0 3 230.352 0.851 20 0 BCADHN CC(C)OCCO[N-]C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000823076839 587201235 /nfs/dbraw/zinc/20/12/35/587201235.db2.gz MHFVKXBMCLTKJE-NSHDSACASA-N 0 3 244.335 0.801 20 0 BCADHN CC(C)OCCO[N-]C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000823076839 587201236 /nfs/dbraw/zinc/20/12/36/587201236.db2.gz MHFVKXBMCLTKJE-NSHDSACASA-N 0 3 244.335 0.801 20 0 BCADHN CC[C@](C)(O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000823275956 587213072 /nfs/dbraw/zinc/21/30/72/587213072.db2.gz IVDMOTPWHGFVJQ-LOWVWBTDSA-N 0 3 240.347 0.700 20 0 BCADHN CS[C@@H](C)c1nc(N2CCNCC2)no1 ZINC000823347728 587217166 /nfs/dbraw/zinc/21/71/66/587217166.db2.gz VHRLCUGSKVXGBK-ZETCQYMHSA-N 0 3 228.321 0.903 20 0 BCADHN CCCCOCc1nc(N2CCNCC2)no1 ZINC000823345991 587217451 /nfs/dbraw/zinc/21/74/51/587217451.db2.gz BUOWGCJFCVFYCG-UHFFFAOYSA-N 0 3 240.307 0.796 20 0 BCADHN COC(CN1CCC[C@@H](n2ccnn2)C1)OC ZINC000823469027 587224420 /nfs/dbraw/zinc/22/44/20/587224420.db2.gz NRDRONJVORKJRQ-SNVBAGLBSA-N 0 3 240.307 0.534 20 0 BCADHN OCCC[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000823722490 587237967 /nfs/dbraw/zinc/23/79/67/587237967.db2.gz RNZPQSPQJSGGEB-UHFFFAOYSA-N 0 3 239.304 0.400 20 0 BCADHN OCCC[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000823722490 587237969 /nfs/dbraw/zinc/23/79/69/587237969.db2.gz RNZPQSPQJSGGEB-UHFFFAOYSA-N 0 3 239.304 0.400 20 0 BCADHN C[NH+](C)[C@H]1C[C@H](NC(=O)c2c[n-]nn2)C1(C)C ZINC000824084452 587254598 /nfs/dbraw/zinc/25/45/98/587254598.db2.gz GJIOBEUPXXHRAJ-IUCAKERBSA-N 0 3 237.307 0.263 20 0 BCADHN C[NH+](C)[C@H]1C[C@H](NC(=O)c2cnn[n-]2)C1(C)C ZINC000824084452 587254599 /nfs/dbraw/zinc/25/45/99/587254599.db2.gz GJIOBEUPXXHRAJ-IUCAKERBSA-N 0 3 237.307 0.263 20 0 BCADHN C[NH+](C)[C@H]1C[C@H](NC(=O)c2cn[n-]n2)C1(C)C ZINC000824084452 587254601 /nfs/dbraw/zinc/25/46/01/587254601.db2.gz GJIOBEUPXXHRAJ-IUCAKERBSA-N 0 3 237.307 0.263 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H](O)C1 ZINC000824115217 587256426 /nfs/dbraw/zinc/25/64/26/587256426.db2.gz OAVGRAKIBRYGQM-VXGBXAGGSA-N 0 3 240.347 0.843 20 0 BCADHN COCC1CN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000824169307 587259140 /nfs/dbraw/zinc/25/91/40/587259140.db2.gz MVSMWDFSOSBATL-LBPRGKRZSA-N 0 3 240.347 0.964 20 0 BCADHN CN(Cc1cnc[nH]1)C(=O)CN1CCCC1 ZINC000824354926 587267248 /nfs/dbraw/zinc/26/72/48/587267248.db2.gz ICUPUHBHJUELBL-UHFFFAOYSA-N 0 3 222.292 0.464 20 0 BCADHN C[C@@H](CCNC(=O)c1cncc(C=O)c1)N(C)C ZINC000824955347 587294804 /nfs/dbraw/zinc/29/48/04/587294804.db2.gz APNUMPLDBLHVNX-JTQLQIEISA-N 0 3 249.314 0.964 20 0 BCADHN C[C@H](CCNC(=O)c1cc(=O)cc[nH]1)N(C)C ZINC000824958255 587295053 /nfs/dbraw/zinc/29/50/53/587295053.db2.gz UBZLBDSRDJDKCW-SECBINFHSA-N 0 3 237.303 0.445 20 0 BCADHN CN(C(=O)[C@@]1(F)CCNC1)C1CCOCC1 ZINC000825541353 587324408 /nfs/dbraw/zinc/32/44/08/587324408.db2.gz BBHSLJMDDHGVCY-LLVKDONJSA-N 0 3 230.283 0.325 20 0 BCADHN CC1=NO[C@H](C(=O)N2CCC[C@@H]2CN(C)C)C1 ZINC000825567567 587325617 /nfs/dbraw/zinc/32/56/17/587325617.db2.gz KCFNNCMQBUVQOC-MNOVXSKESA-N 0 3 239.319 0.704 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1COc2ccccc2C1 ZINC000825994094 587347849 /nfs/dbraw/zinc/34/78/49/587347849.db2.gz GRFPOZRLQBTRJA-VHSXEESVSA-N 0 3 234.299 0.701 20 0 BCADHN Cc1ccnc(NCC(C)(C)[NH3+])c1-c1nnn[n-]1 ZINC000826312601 587352092 /nfs/dbraw/zinc/35/20/92/587352092.db2.gz JIESWMPUZKJZBD-UHFFFAOYSA-N 0 3 247.306 0.719 20 0 BCADHN Cc1ccnc(NCC(C)(C)[NH3+])c1-c1nn[n-]n1 ZINC000826312601 587352093 /nfs/dbraw/zinc/35/20/93/587352093.db2.gz JIESWMPUZKJZBD-UHFFFAOYSA-N 0 3 247.306 0.719 20 0 BCADHN COC/C=C/C(=O)NCCN1CC[C@@H](C)C1 ZINC000826722385 587359904 /nfs/dbraw/zinc/35/99/04/587359904.db2.gz OYVRINWCKDBALA-PGLGOXFNSA-N 0 3 226.320 0.647 20 0 BCADHN O=C(Nc1c[nH]ccc1=O)[C@]1(F)CCNC1 ZINC000827155020 587371558 /nfs/dbraw/zinc/37/15/58/587371558.db2.gz MWWXWNQFARAIEY-JTQLQIEISA-N 0 3 225.223 0.015 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1c[nH]ccc1=O ZINC000827154983 587371729 /nfs/dbraw/zinc/37/17/29/587371729.db2.gz LXNSKHMMZCTIJI-SSDOTTSWSA-N 0 3 221.260 0.454 20 0 BCADHN CCN1CC[C@H](C[NH2+][C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000827207208 587372888 /nfs/dbraw/zinc/37/28/88/587372888.db2.gz MBCNJZWQJLBKOI-GHMZBOCLSA-N 0 3 241.335 0.670 20 0 BCADHN CC[N@@H+]1CC[C@H](CN[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000827207208 587372889 /nfs/dbraw/zinc/37/28/89/587372889.db2.gz MBCNJZWQJLBKOI-GHMZBOCLSA-N 0 3 241.335 0.670 20 0 BCADHN CC[N@H+]1CC[C@H](CN[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000827207208 587372890 /nfs/dbraw/zinc/37/28/90/587372890.db2.gz MBCNJZWQJLBKOI-GHMZBOCLSA-N 0 3 241.335 0.670 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)C3CC(=O)C3)CC[C@@H]21 ZINC000827291498 587375692 /nfs/dbraw/zinc/37/56/92/587375692.db2.gz WSOXQAURMQUWJF-SKDRFNHKSA-N 0 3 236.315 0.518 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)COc1ccccc1 ZINC000827414764 587380585 /nfs/dbraw/zinc/38/05/85/587380585.db2.gz HOLVPHZDWLBJNT-VHSXEESVSA-N 0 3 222.288 0.917 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)COc1ccccc1 ZINC000827414763 587380631 /nfs/dbraw/zinc/38/06/31/587380631.db2.gz HOLVPHZDWLBJNT-UWVGGRQHSA-N 0 3 222.288 0.917 20 0 BCADHN O=C(NC[C@H]1CCCOC1)[C@@]1(F)CCNC1 ZINC000827469071 587382428 /nfs/dbraw/zinc/38/24/28/587382428.db2.gz KTRCTLKOAOJUGJ-MWLCHTKSSA-N 0 3 230.283 0.231 20 0 BCADHN CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H]2N)n[nH]1 ZINC000827519205 587385488 /nfs/dbraw/zinc/38/54/88/587385488.db2.gz LOSANGCVWVEKAR-RQJHMYQMSA-N 0 3 222.292 0.993 20 0 BCADHN Cc1cc(CNC2([C@@H](C)O)CC2)n(C)n1 ZINC000827586608 587390657 /nfs/dbraw/zinc/39/06/57/587390657.db2.gz ZMDVJKLXERAXPH-SECBINFHSA-N 0 3 209.293 0.732 20 0 BCADHN CCn1cc(C(=O)NC[C@@H]2CCCN2C)nn1 ZINC000827625226 587392787 /nfs/dbraw/zinc/39/27/87/587392787.db2.gz MIRHVOZZZJSPBO-VIFPVBQESA-N 0 3 237.307 0.122 20 0 BCADHN CN1CCC[C@H]1CNC(=O)COC(F)(F)F ZINC000827626384 587392937 /nfs/dbraw/zinc/39/29/37/587392937.db2.gz WPMDXCMILOYPRK-ZETCQYMHSA-N 0 3 240.225 0.733 20 0 BCADHN O=C(Nc1cc(C2CC2)[nH]n1)[C@@]1(F)CCNC1 ZINC000827656708 587394548 /nfs/dbraw/zinc/39/45/48/587394548.db2.gz NZHMAUJXHOSLKL-LLVKDONJSA-N 0 3 238.266 0.927 20 0 BCADHN O=C(NC[C@@H]1CCCCO1)[C@@]1(F)CCNC1 ZINC000827694706 587396868 /nfs/dbraw/zinc/39/68/68/587396868.db2.gz JZPBNWIHPBVZNM-GXSJLCMTSA-N 0 3 230.283 0.373 20 0 BCADHN C[S@@](=O)CCN1CCC[C@@H](N2CCCC2)C1 ZINC000827785767 587402121 /nfs/dbraw/zinc/40/21/21/587402121.db2.gz GOEUUPNZMACMFV-MLGOLLRUSA-N 0 3 244.404 0.925 20 0 BCADHN CCN(CC[S@](C)=O)C[C@H]1CCOC1 ZINC000827792289 587402617 /nfs/dbraw/zinc/40/26/17/587402617.db2.gz COBCGEUKNUUWOT-YGRLFVJLSA-N 0 3 219.350 0.723 20 0 BCADHN C[S@](=O)CCN1CCCOC(C)(C)C1 ZINC000827930685 587410713 /nfs/dbraw/zinc/41/07/13/587410713.db2.gz OUULKAWKNALTIC-AWEZNQCLSA-N 0 3 219.350 0.866 20 0 BCADHN CC(C)Cc1cc(NC(=O)[C@H](C)N)n(C)n1 ZINC000827947529 587412377 /nfs/dbraw/zinc/41/23/77/587412377.db2.gz VQRINERXZFYCSR-QMMMGPOBSA-N 0 3 224.308 0.904 20 0 BCADHN CNCC(=O)Nc1cc(CC(C)C)nn1C ZINC000827947091 587412574 /nfs/dbraw/zinc/41/25/74/587412574.db2.gz FXQAGONHMMSZDQ-UHFFFAOYSA-N 0 3 224.308 0.777 20 0 BCADHN COC(C)(C)CN(C)CC[S@](C)=O ZINC000827996085 587415966 /nfs/dbraw/zinc/41/59/66/587415966.db2.gz KYLJLACPYONXDW-ZDUSSCGKSA-N 0 3 207.339 0.722 20 0 BCADHN CO[C@@H]1CCCN(CC[S@@](C)=O)CC1 ZINC000828217658 587424595 /nfs/dbraw/zinc/42/45/95/587424595.db2.gz IVDUPPPAJPKRHO-QMTHXVAHSA-N 0 3 219.350 0.866 20 0 BCADHN CCCONC(=O)N(C)CCN(C)C ZINC000828283739 587431593 /nfs/dbraw/zinc/43/15/93/587431593.db2.gz YWMYSJLSEORBIY-UHFFFAOYSA-N 0 3 203.286 0.531 20 0 BCADHN CC[C@]1(O)CCN(CC[S@@](C)=O)C1 ZINC000828330060 587435334 /nfs/dbraw/zinc/43/53/34/587435334.db2.gz YHGQBEWWFJOESN-TVQRCGJNSA-N 0 3 205.323 0.212 20 0 BCADHN CCCONC(=O)NC[C@H](C)N(C)C ZINC000828338288 587436687 /nfs/dbraw/zinc/43/66/87/587436687.db2.gz IOTZIQDBCLDRNB-QMMMGPOBSA-N 0 3 203.286 0.577 20 0 BCADHN CC[C@@]1(CO)CCCN1CC[S@@](C)=O ZINC000828388978 587439361 /nfs/dbraw/zinc/43/93/61/587439361.db2.gz AQDLQQYCDRNRJI-IINYFYTJSA-N 0 3 219.350 0.602 20 0 BCADHN COC(=O)[C@@H]1CCN(CC[S@](C)=O)[C@H]1C ZINC000828408953 587439371 /nfs/dbraw/zinc/43/93/71/587439371.db2.gz VSVWDTKZQMNEST-QQXLSSBLSA-N 0 3 233.333 0.248 20 0 BCADHN CO[C@@H]1CN(CC[S@](C)=O)CC[C@H]1C ZINC000828390448 587439853 /nfs/dbraw/zinc/43/98/53/587439853.db2.gz XOBBJXGIPDRQAK-RULNRJAQSA-N 0 3 219.350 0.722 20 0 BCADHN CO[C@@H]1CCN(CC[S@@](C)=O)[C@H](C)C1 ZINC000828463162 587444216 /nfs/dbraw/zinc/44/42/16/587444216.db2.gz ZCWTURRWJFAUOJ-GPCCPHFNSA-N 0 3 219.350 0.864 20 0 BCADHN C[C@@H]1C[C@@H](N2CCCC2)CN1CC[S@@](C)=O ZINC000828525751 587447352 /nfs/dbraw/zinc/44/73/52/587447352.db2.gz ZSNGPVTUBJSHOP-XHBSWPGZSA-N 0 3 244.404 0.924 20 0 BCADHN CC(C)CC(=O)CCN1C[C@H](O)[C@H](CO)C1 ZINC000828620504 587454545 /nfs/dbraw/zinc/45/45/45/587454545.db2.gz BNZYLFXCLNLKGH-JQWIXIFHSA-N 0 3 229.320 0.277 20 0 BCADHN CC(C)CC(=O)CCN1CC[C@@H](O)[C@H](CO)C1 ZINC000828626937 587454755 /nfs/dbraw/zinc/45/47/55/587454755.db2.gz MBLRWBYPYJANHG-WCQYABFASA-N 0 3 243.347 0.667 20 0 BCADHN CC[C@](C)(O)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000828958226 587475336 /nfs/dbraw/zinc/47/53/36/587475336.db2.gz BGAIRQGYYXYNAF-LOWVWBTDSA-N 0 3 240.347 0.843 20 0 BCADHN CC[C@](C)(O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000828958227 587475555 /nfs/dbraw/zinc/47/55/55/587475555.db2.gz BGAIRQGYYXYNAF-MDZLAQPJSA-N 0 3 240.347 0.843 20 0 BCADHN CC(C)C[C@H](CO)N(C)CC[S@](C)=O ZINC000828954350 587475732 /nfs/dbraw/zinc/47/57/32/587475732.db2.gz SUAMEXNODCETQH-YGRLFVJLSA-N 0 3 221.366 0.704 20 0 BCADHN CCC[C@H](O)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000828959769 587475888 /nfs/dbraw/zinc/47/58/88/587475888.db2.gz PBFIAEPXMRINIV-TUAOUCFPSA-N 0 3 240.347 0.843 20 0 BCADHN CC(=O)[C@@H](OC(=O)C1CCN(C)C1=O)C(C)C ZINC000829017019 587478731 /nfs/dbraw/zinc/47/87/31/587478731.db2.gz QPKQWGAHPPGYAV-UWVGGRQHSA-N 0 3 241.287 0.622 20 0 BCADHN C[C@H](CO)N(CC[S@](C)=O)C1CCCC1 ZINC000829077691 587482132 /nfs/dbraw/zinc/48/21/32/587482132.db2.gz LVUUYFUSXUROPO-BMIGLBTASA-N 0 3 233.377 0.990 20 0 BCADHN C[C@H](CO)N(CC[S@@](C)=O)C1CCCC1 ZINC000829077693 587482233 /nfs/dbraw/zinc/48/22/33/587482233.db2.gz LVUUYFUSXUROPO-MEBBXXQBSA-N 0 3 233.377 0.990 20 0 BCADHN CN(CC[S@](C)=O)CC1(N(C)C)CCC1 ZINC000829105675 587482812 /nfs/dbraw/zinc/48/28/12/587482812.db2.gz BGQLEJJSAXCTCK-HNNXBMFYSA-N 0 3 232.393 0.781 20 0 BCADHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CC[S@](C)=O ZINC000829121646 587483863 /nfs/dbraw/zinc/48/38/63/587483863.db2.gz VJMUVJNLQOFEBK-LMCGPQHNSA-N 0 3 233.377 0.846 20 0 BCADHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC[S@](C)=O ZINC000829121649 587483939 /nfs/dbraw/zinc/48/39/39/587483939.db2.gz VJMUVJNLQOFEBK-OZWUEAAUSA-N 0 3 233.377 0.846 20 0 BCADHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CC[S@](C)=O ZINC000829121644 587483985 /nfs/dbraw/zinc/48/39/85/587483985.db2.gz VJMUVJNLQOFEBK-CZFOOCMKSA-N 0 3 233.377 0.846 20 0 BCADHN CC/C(C)=C\C(=O)NC[C@]1(O)CCN(C)C1 ZINC000829327729 587492844 /nfs/dbraw/zinc/49/28/44/587492844.db2.gz MOJGNQKJBFZMBH-MQGYJPLLSA-N 0 3 226.320 0.526 20 0 BCADHN COCC1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000829478865 587499788 /nfs/dbraw/zinc/49/97/88/587499788.db2.gz MGKSKDVOVLVCRG-GFCCVEGCSA-N 0 3 244.310 0.573 20 0 BCADHN C[S@@](=O)CCN1CCCCC[C@H]1CCO ZINC000829536059 587502406 /nfs/dbraw/zinc/50/24/06/587502406.db2.gz NDHCHINPQOFLSG-XHDPSFHLSA-N 0 3 233.377 0.992 20 0 BCADHN CC[C@H](C)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000829558893 587503231 /nfs/dbraw/zinc/50/32/31/587503231.db2.gz CWKQWEBKRSAMGO-YUMQZZPRSA-N 0 3 234.321 0.440 20 0 BCADHN CCN(CCO)CCNC(=O)C(C)=C1CCC1 ZINC000829551574 587503238 /nfs/dbraw/zinc/50/32/38/587503238.db2.gz LCFWFHCZLOKFRB-UHFFFAOYSA-N 0 3 240.347 0.917 20 0 BCADHN CC[C@@](C)(O)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000829570079 587503959 /nfs/dbraw/zinc/50/39/59/587503959.db2.gz MTIHTSAFRFKOEN-NTZNESFSSA-N 0 3 240.347 0.843 20 0 BCADHN Cc1cc(N2CC[C@@H](CCCO)C2)nc(N)n1 ZINC000829576604 587504434 /nfs/dbraw/zinc/50/44/34/587504434.db2.gz DPQPJTYNGQVVRJ-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN C[C@@H]1CN(CCO)CCN1c1ccncc1 ZINC000829577833 587504573 /nfs/dbraw/zinc/50/45/73/587504573.db2.gz QNXTZNYVDVGUMG-LLVKDONJSA-N 0 3 221.304 0.584 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCCOc1cccnc1 ZINC000829636834 587506917 /nfs/dbraw/zinc/50/69/17/587506917.db2.gz KALNDURZLMLPAA-JTQLQIEISA-N 0 3 249.314 0.717 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N1CC=C(N)N1 ZINC000829861292 587525657 /nfs/dbraw/zinc/52/56/57/587525657.db2.gz CLOWJJSCCXTDDH-VIFPVBQESA-N 0 3 224.308 0.006 20 0 BCADHN Cc1nonc1CNC(=O)[C@@H](C)NC1CC1 ZINC000829865516 587525919 /nfs/dbraw/zinc/52/59/19/587525919.db2.gz MZZMBZYGVDFCPP-SSDOTTSWSA-N 0 3 224.264 0.135 20 0 BCADHN CCN(CC[S@@](C)=O)C[C@@H](C)OC ZINC000829980488 587530889 /nfs/dbraw/zinc/53/08/89/587530889.db2.gz WZCWDHBBRHDUFR-NOZJJQNGSA-N 0 3 207.339 0.722 20 0 BCADHN COCCN1[C@H](C)CN(C[C@H](C)CO)C[C@@H]1C ZINC000830070243 587534745 /nfs/dbraw/zinc/53/47/45/587534745.db2.gz NQVGRIFWCDOBBC-RWMBFGLXSA-N 0 3 244.379 0.656 20 0 BCADHN C[C@@H]1[C@H](NC(=O)COC(F)(F)F)CCN1C ZINC000830111301 587535958 /nfs/dbraw/zinc/53/59/58/587535958.db2.gz MCOOQOXFANNPDJ-RNFRBKRXSA-N 0 3 240.225 0.732 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000830112520 587536899 /nfs/dbraw/zinc/53/68/99/587536899.db2.gz SQCWVBPBRCDGKT-ZYUZMQFOSA-N 0 3 212.293 0.230 20 0 BCADHN CC(C)N(CCCN1CCOC1=O)C1COC1 ZINC000830217350 587541639 /nfs/dbraw/zinc/54/16/39/587541639.db2.gz JKSGCDCMMYLWBL-UHFFFAOYSA-N 0 3 242.319 0.938 20 0 BCADHN CN(Cc1ccon1)C(=O)[C@]1(F)CCNC1 ZINC000830214055 587542027 /nfs/dbraw/zinc/54/20/27/587542027.db2.gz SHVASGJPHNXRCV-JTQLQIEISA-N 0 3 227.239 0.335 20 0 BCADHN CCN(CCc1ccccn1)C(=O)[C@@H](C)N ZINC000830355855 587547529 /nfs/dbraw/zinc/54/75/29/587547529.db2.gz OSXCNFGDUCULJY-SNVBAGLBSA-N 0 3 221.304 0.820 20 0 BCADHN C[C@@H](CO)CN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000830509417 587555086 /nfs/dbraw/zinc/55/50/86/587555086.db2.gz ISPXRFKZAXGUTK-NXEZZACHSA-N 0 3 230.308 0.387 20 0 BCADHN C[C@@H](CO)CN1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000830584062 587559056 /nfs/dbraw/zinc/55/90/56/587559056.db2.gz BGFBBXWDZFLFLM-GHMZBOCLSA-N 0 3 244.335 0.777 20 0 BCADHN CC1(C)OCC[C@H]1NCC1OCCO1 ZINC000830667875 587563374 /nfs/dbraw/zinc/56/33/74/587563374.db2.gz JZQWGECFEKCBOJ-MRVPVSSYSA-N 0 3 201.266 0.516 20 0 BCADHN C[C@H]1C(=O)N(C)CN1CCN1CCCC1 ZINC000830772494 587569454 /nfs/dbraw/zinc/56/94/54/587569454.db2.gz APMIMDNHTQOKJW-JTQLQIEISA-N 0 3 211.309 0.202 20 0 BCADHN CCC(=O)CCN1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000830864919 587574706 /nfs/dbraw/zinc/57/47/06/587574706.db2.gz GPMKIVOOYHRRRR-MWLCHTKSSA-N 0 3 243.303 0.211 20 0 BCADHN CCC(=O)CCN1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000830864918 587574851 /nfs/dbraw/zinc/57/48/51/587574851.db2.gz GPMKIVOOYHRRRR-KOLCDFICSA-N 0 3 243.303 0.211 20 0 BCADHN C[NH+]1CCC(NCc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000830929065 587578189 /nfs/dbraw/zinc/57/81/89/587578189.db2.gz VVAFNFWXMAMNIG-UHFFFAOYSA-N 0 3 237.303 0.897 20 0 BCADHN CC1(CN2CC[C@@H]3COC(=O)N[C@H]3C2)COC1 ZINC000830944294 587578346 /nfs/dbraw/zinc/57/83/46/587578346.db2.gz ZGVNRIMFCLFTAI-ZJUUUORDSA-N 0 3 240.303 0.453 20 0 BCADHN O=C1N[C@@H]2CN(CC3CC3)CC[C@H]2CO1 ZINC000830940565 587578689 /nfs/dbraw/zinc/57/86/89/587578689.db2.gz YYJMHKPCUSRSAV-VHSXEESVSA-N 0 3 210.277 0.827 20 0 BCADHN CN(Cc1nccs1)C(=O)[C@@]1(F)CCNC1 ZINC000830963401 587579025 /nfs/dbraw/zinc/57/90/25/587579025.db2.gz PEUPKEFTIVZSQJ-SNVBAGLBSA-N 0 3 243.307 0.803 20 0 BCADHN CCN(CCSC)[C@H]1CCC(=O)NC1=O ZINC000830998999 587581137 /nfs/dbraw/zinc/58/11/37/587581137.db2.gz BOBNSKOGOOPPDF-QMMMGPOBSA-N 0 3 230.333 0.477 20 0 BCADHN COC[C@H]1CCCN1C(=O)[C@]1(F)CCNC1 ZINC000831038083 587582916 /nfs/dbraw/zinc/58/29/16/587582916.db2.gz CVGPFPVGYBXGSP-KOLCDFICSA-N 0 3 230.283 0.325 20 0 BCADHN CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@]1(F)CCNC1 ZINC000831156213 587588208 /nfs/dbraw/zinc/58/82/08/587588208.db2.gz QODXGKFNWLYONX-UMNHJUIQSA-N 0 3 244.310 0.714 20 0 BCADHN Cc1cc(=O)[nH]cc1NC(=O)[C@@]1(F)CCNC1 ZINC000831165768 587588684 /nfs/dbraw/zinc/58/86/84/587588684.db2.gz LBZPGCOLQYVENW-LLVKDONJSA-N 0 3 239.250 0.736 20 0 BCADHN CC[C@H](C[C@H](C)O)NC(=O)CN(CC)CC ZINC000831257497 587594324 /nfs/dbraw/zinc/59/43/24/587594324.db2.gz BCVJHRBPYSKEOS-WDEREUQCSA-N 0 3 230.352 0.994 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CC)C[C@@H](C)O ZINC000831269287 587594931 /nfs/dbraw/zinc/59/49/31/587594931.db2.gz OIHVYNRLJARRAA-MNOVXSKESA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@H](C[C@@H](C)O)NC(=O)Cc1nc[nH]c1C ZINC000831311403 587597631 /nfs/dbraw/zinc/59/76/31/587597631.db2.gz OCJMYIKTYCLUIP-PSASIEDQSA-N 0 3 239.319 0.926 20 0 BCADHN CC[C@H](N)C(=O)N(C)Cc1ncc(Cl)n1C ZINC000831534239 587617128 /nfs/dbraw/zinc/61/71/28/587617128.db2.gz HFCGLTZMFHHRMV-ZETCQYMHSA-N 0 3 244.726 0.769 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc[n+]([O-])c2)[C@@H](C)CN1 ZINC000831540051 587617829 /nfs/dbraw/zinc/61/78/29/587617829.db2.gz FWHLGKOINZJJEA-ZJUUUORDSA-N 0 3 235.287 0.142 20 0 BCADHN C[C@H]1CN(C(=O)c2ncccn2)[C@@H](C)CN1 ZINC000831539966 587617886 /nfs/dbraw/zinc/61/78/86/587617886.db2.gz CDCUEHJNROSHLJ-IUCAKERBSA-N 0 3 220.276 0.299 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2cccc[n+]2[O-])CCN1 ZINC000831599113 587622488 /nfs/dbraw/zinc/62/24/88/587622488.db2.gz JWUOJWUSUBBERX-LLVKDONJSA-N 0 3 249.314 0.390 20 0 BCADHN CCO[C@H](CNC(=O)C1CSC1)CN(C)C ZINC000831707471 587628306 /nfs/dbraw/zinc/62/83/06/587628306.db2.gz FVCQKRLZOJFEBL-SNVBAGLBSA-N 0 3 246.376 0.432 20 0 BCADHN CCO[C@@H](CNC(=O)[C@@H]1CC12CC2)CN(C)C ZINC000831707817 587628528 /nfs/dbraw/zinc/62/85/28/587628528.db2.gz NDYJIFALRBPVNT-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN CCO[C@H](CNC(=O)C(C)(C)CO)CN(C)C ZINC000831723306 587628909 /nfs/dbraw/zinc/62/89/09/587628909.db2.gz GEHIZMMQPQWOMD-SNVBAGLBSA-N 0 3 246.351 0.088 20 0 BCADHN CCO[C@@H](CNC(=O)[C@@H](O)C(C)C)CN(C)C ZINC000831718007 587629018 /nfs/dbraw/zinc/62/90/18/587629018.db2.gz HZDCWBWQVZCSLW-QWRGUYRKSA-N 0 3 246.351 0.086 20 0 BCADHN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@]1(F)CCNC1 ZINC000831748911 587629759 /nfs/dbraw/zinc/62/97/59/587629759.db2.gz RLTUYEKXYBIZNQ-DKIAZLNASA-N 0 3 212.268 0.603 20 0 BCADHN CCO[C@H](CNC(=O)[C@H](CC)OC)CN(C)C ZINC000831751375 587629772 /nfs/dbraw/zinc/62/97/72/587629772.db2.gz JLKIIRDNEZACQU-MNOVXSKESA-N 0 3 246.351 0.494 20 0 BCADHN CC[C@@H]1C[C@@H](NC(=O)[C@@]2(F)CCNC2)CCO1 ZINC000831741834 587629931 /nfs/dbraw/zinc/62/99/31/587629931.db2.gz QFVVEPNDEBRXNM-HOSYDEDBSA-N 0 3 244.310 0.762 20 0 BCADHN CCO[C@H](CNC(=O)[C@@H](C)OC)CN(C)C ZINC000831756385 587630100 /nfs/dbraw/zinc/63/01/00/587630100.db2.gz HPUOIIDUXCWXFP-NXEZZACHSA-N 0 3 232.324 0.104 20 0 BCADHN CCO[C@H](CNC(=O)C1CC1)CN(C)C ZINC000831777108 587631591 /nfs/dbraw/zinc/63/15/91/587631591.db2.gz QSRRRLBUZADZCU-SNVBAGLBSA-N 0 3 214.309 0.479 20 0 BCADHN CCO[C@H](CNC(=O)C(F)F)CN(C)C ZINC000831777287 587631624 /nfs/dbraw/zinc/63/16/24/587631624.db2.gz VZMDLWWWELRRCF-SSDOTTSWSA-N 0 3 224.251 0.334 20 0 BCADHN CCO[C@H](CNC(=O)c1ccco1)CN(C)C ZINC000831776841 587631626 /nfs/dbraw/zinc/63/16/26/587631626.db2.gz NFZGEHWWWGJQTR-SNVBAGLBSA-N 0 3 240.303 0.976 20 0 BCADHN CCn1nccc1NC(=O)[C@@]1(F)CCNC1 ZINC000831781805 587631630 /nfs/dbraw/zinc/63/16/30/587631630.db2.gz WDGBKLSNMZRONM-SNVBAGLBSA-N 0 3 226.255 0.543 20 0 BCADHN Cc1c(NC(=O)[C@H](C)N)n[nH]c1C1CC1 ZINC000831876473 587635224 /nfs/dbraw/zinc/63/52/24/587635224.db2.gz ZJPRAOSNUNTFBQ-LURJTMIESA-N 0 3 208.265 0.881 20 0 BCADHN Cc1cnccc1CNC(=O)[C@]1(F)CCNC1 ZINC000831921241 587636773 /nfs/dbraw/zinc/63/67/73/587636773.db2.gz KRVPPUDFZOMFSV-LBPRGKRZSA-N 0 3 237.278 0.708 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1cccc2cnncc21 ZINC000831934145 587637280 /nfs/dbraw/zinc/63/72/80/587637280.db2.gz YPIZUBIXPMSKBX-WCBMZHEXSA-N 0 3 228.255 0.916 20 0 BCADHN O=C(NCC[C@H]1CCCCO1)[C@@]1(F)CCNC1 ZINC000831953311 587638652 /nfs/dbraw/zinc/63/86/52/587638652.db2.gz YYVIFPAHTPYCLU-ZYHUDNBSSA-N 0 3 244.310 0.763 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)[C@@H](N)CC(F)F ZINC000831970397 587639616 /nfs/dbraw/zinc/63/96/16/587639616.db2.gz FYXCRZLRRPBKLA-IUCAKERBSA-N 0 3 249.305 0.569 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CC[C@@H]1C ZINC000831975497 587641144 /nfs/dbraw/zinc/64/11/44/587641144.db2.gz NLXXWUNHWJADEH-UMNHJUIQSA-N 0 3 244.310 0.571 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CC[C@H]1C ZINC000831975494 587641196 /nfs/dbraw/zinc/64/11/96/587641196.db2.gz NLXXWUNHWJADEH-CKYFFXLPSA-N 0 3 244.310 0.571 20 0 BCADHN COCCC(C)(C)CNC(=O)[C@]1(F)CCNC1 ZINC000832002359 587642063 /nfs/dbraw/zinc/64/20/63/587642063.db2.gz IQJXAWDGCUIPKS-LBPRGKRZSA-N 0 3 246.326 0.867 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCCOC(=O)C1CC1 ZINC000832182018 587648543 /nfs/dbraw/zinc/64/85/43/587648543.db2.gz BRJXJHFWGSFUGF-VIFPVBQESA-N 0 3 240.303 0.054 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCCOC(=O)C1CC1 ZINC000832183087 587649188 /nfs/dbraw/zinc/64/91/88/587649188.db2.gz QXYANIDHNMOIIW-QMMMGPOBSA-N 0 3 240.303 0.196 20 0 BCADHN CSC(C)(C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000832206329 587650106 /nfs/dbraw/zinc/65/01/06/587650106.db2.gz CFAASWLSALTDQH-LLVKDONJSA-N 0 3 246.376 0.311 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(N)c(OC)c1 ZINC000832305919 587653616 /nfs/dbraw/zinc/65/36/16/587653616.db2.gz UKOOYGBHIWRGJG-QMMMGPOBSA-N 0 3 223.276 0.953 20 0 BCADHN C(C1OCCO1)N1CCC[C@@]2(CCOC2)C1 ZINC000832349075 587655697 /nfs/dbraw/zinc/65/56/97/587655697.db2.gz ZMTXIKLAYSGJTL-GFCCVEGCSA-N 0 3 227.304 0.862 20 0 BCADHN COC[C@H]1CCCCN1CC[S@](C)=O ZINC000832621040 587670025 /nfs/dbraw/zinc/67/00/25/587670025.db2.gz PNOUJXVTPDEGLU-YGRLFVJLSA-N 0 3 219.350 0.866 20 0 BCADHN COC[C@@H]1CCCCN1CC[S@](C)=O ZINC000832621034 587669989 /nfs/dbraw/zinc/66/99/89/587669989.db2.gz PNOUJXVTPDEGLU-HZMBPMFUSA-N 0 3 219.350 0.866 20 0 BCADHN COC[C@@H]1CCCCN1CC[S@@](C)=O ZINC000832621036 587670016 /nfs/dbraw/zinc/67/00/16/587670016.db2.gz PNOUJXVTPDEGLU-IINYFYTJSA-N 0 3 219.350 0.866 20 0 BCADHN CCC[C@@H](O)CCNC(=O)[C@H](CC)N(C)C ZINC000832657084 587674566 /nfs/dbraw/zinc/67/45/66/587674566.db2.gz NCPWPCGWBXIZKE-MNOVXSKESA-N 0 3 230.352 0.994 20 0 BCADHN CO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC000832720954 587679422 /nfs/dbraw/zinc/67/94/22/587679422.db2.gz JYIOLWBRYBLJET-JTQLQIEISA-N 0 3 242.319 0.302 20 0 BCADHN COC[C@@H]1CCCN(CC(=O)N(C)OC)CC1 ZINC000832744648 587682471 /nfs/dbraw/zinc/68/24/71/587682471.db2.gz GCSOYHCONWWMEV-LLVKDONJSA-N 0 3 244.335 0.755 20 0 BCADHN CC(C)N1CC[C@@H](N(C)CC[S@@](C)=O)C1 ZINC000832779271 587688842 /nfs/dbraw/zinc/68/88/42/587688842.db2.gz XSUXUMQVLIYIQK-IAQYHMDHSA-N 0 3 232.393 0.779 20 0 BCADHN CN(CCC[NH3+])C(=O)c1ccc(N)cc1[O-] ZINC000832781162 587689222 /nfs/dbraw/zinc/68/92/22/587689222.db2.gz CYHVZEKEWLTZAD-UHFFFAOYSA-N 0 3 223.276 0.395 20 0 BCADHN O=C([O-])NCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000834236963 587749537 /nfs/dbraw/zinc/74/95/37/587749537.db2.gz 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0.825 20 0 BCADHN COC[C@H](C)OC(=O)C1CCCN(C)C1=O ZINC000837959071 587906059 /nfs/dbraw/zinc/90/60/59/587906059.db2.gz LTEAUKBRZMJHGK-DTWKUNHWSA-N 0 3 229.276 0.433 20 0 BCADHN CO[C@@H](C)COC(=O)C1CCCN(C)C1=O ZINC000837959933 587906166 /nfs/dbraw/zinc/90/61/66/587906166.db2.gz QKDVJXUDTZPSEC-DTWKUNHWSA-N 0 3 229.276 0.433 20 0 BCADHN CN(C)CCNC(=S)N1CC[C@H](F)C1 ZINC000840780099 587921331 /nfs/dbraw/zinc/92/13/31/587921331.db2.gz QCVZIGILNXMNMF-QMMMGPOBSA-N 0 3 219.329 0.466 20 0 BCADHN CS[C@H]1CCN(C(=S)NCCN(C)C)C1 ZINC000840787935 587921897 /nfs/dbraw/zinc/92/18/97/587921897.db2.gz IZWIONGNCVFOAC-VIFPVBQESA-N 0 3 247.433 0.860 20 0 BCADHN CN(C)CCNC(=S)N1C[C@@H]2C[C@H]1CS2 ZINC000840851247 587925518 /nfs/dbraw/zinc/92/55/18/587925518.db2.gz DHLCWTOMPLBUHS-IUCAKERBSA-N 0 3 245.417 0.612 20 0 BCADHN C[C@H]1CC[C@H]1NCCS(=O)(=O)C1CC1 ZINC000840882197 587927965 /nfs/dbraw/zinc/92/79/65/587927965.db2.gz GRNIWPOCCINJRM-WCBMZHEXSA-N 0 3 217.334 0.952 20 0 BCADHN 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CNc1c(Cl)ncnc1N1CCNCC1 ZINC000842267900 588009902 /nfs/dbraw/zinc/00/99/02/588009902.db2.gz YAVUQTLFTBSMTP-UHFFFAOYSA-N 0 3 227.699 0.581 20 0 BCADHN F[C@]1(c2nc(C[C@H]3CCCO3)no2)CCNC1 ZINC000842571220 588043592 /nfs/dbraw/zinc/04/35/92/588043592.db2.gz LXQUOXXYSMFDFM-LDYMZIIASA-N 0 3 241.266 0.949 20 0 BCADHN C[C@@H]1C[C@H](NC[C@@H](O)c2cnn(C)c2)CO1 ZINC000842685396 588052439 /nfs/dbraw/zinc/05/24/39/588052439.db2.gz ULTATRKPYAVWEX-DVVUODLYSA-N 0 3 225.292 0.221 20 0 BCADHN C[C@@H]1C[C@H]1N1C[C@H](N[C@@H]2CO[C@H](C)C2)CC1=O ZINC000842690276 588053228 /nfs/dbraw/zinc/05/32/28/588053228.db2.gz RAFLKBYYPCSRHJ-PZWNZHSQSA-N 0 3 238.331 0.763 20 0 BCADHN COC[C@@H](O)CNCc1ccnn1CC(C)C ZINC000842704416 588054637 /nfs/dbraw/zinc/05/46/37/588054637.db2.gz RKZBYHHMKKTITJ-LBPRGKRZSA-N 0 3 241.335 0.636 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)C1CC1 ZINC000842769035 588061267 /nfs/dbraw/zinc/06/12/67/588061267.db2.gz GKBSDTIEUGJHBQ-MRVPVSSYSA-N 0 3 200.282 0.784 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CCCSC1 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588067354 /nfs/dbraw/zinc/06/73/54/588067354.db2.gz COSZJXXWMXGKDL-SGUJLRQBSA-N 0 3 238.331 0.956 20 0 BCADHN CSC[C@H](O)CNC[C@H](O)C(F)(F)F ZINC000843063915 588078501 /nfs/dbraw/zinc/07/85/01/588078501.db2.gz UCSOYJJWPQPXBL-RITPCOANSA-N 0 3 233.255 0.223 20 0 BCADHN Cc1nc(CNC[C@H](C)O)ccc1[C@H](C)O ZINC000843105465 588081410 /nfs/dbraw/zinc/08/14/10/588081410.db2.gz FYYTXLJYORFCAC-WPRPVWTQSA-N 0 3 224.304 0.914 20 0 BCADHN Cc1nc(CNC[C@@H](C)O)ccc1[C@@H](C)O ZINC000843105462 588081447 /nfs/dbraw/zinc/08/14/47/588081447.db2.gz FYYTXLJYORFCAC-PSASIEDQSA-N 0 3 224.304 0.914 20 0 BCADHN O[C@@H](CN[C@@H]1CC[C@H]1O)c1ccc(F)cc1 ZINC000843114376 588081987 /nfs/dbraw/zinc/08/19/87/588081987.db2.gz FNFPJXSJGBHYJY-UTUOFQBUSA-N 0 3 225.263 0.972 20 0 BCADHN Nc1ccc(CN2CCNC[C@H]2C(F)F)cn1 ZINC000843124692 588083208 /nfs/dbraw/zinc/08/32/08/588083208.db2.gz JUGJGMZCRQYLPG-VIFPVBQESA-N 0 3 242.273 0.703 20 0 BCADHN Cc1cc(CN2CCNC[C@H]2C(F)F)nn1C ZINC000843124921 588083268 /nfs/dbraw/zinc/08/32/68/588083268.db2.gz POUBPVJCAMMFOE-JTQLQIEISA-N 0 3 244.289 0.767 20 0 BCADHN Cn1ccnc1-c1noc([C@@]2(F)CCNC2)n1 ZINC000843187543 588091011 /nfs/dbraw/zinc/09/10/11/588091011.db2.gz GBPFEINFMMWNCN-SNVBAGLBSA-N 0 3 237.238 0.628 20 0 BCADHN CN(C(=O)c1ccc(N)cc1[O-])C1CC[NH2+]CC1 ZINC000843307757 588098860 /nfs/dbraw/zinc/09/88/60/588098860.db2.gz ANSLVZDRPYIISR-UHFFFAOYSA-N 0 3 249.314 0.798 20 0 BCADHN CCNCC(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC000843373456 588104909 /nfs/dbraw/zinc/10/49/09/588104909.db2.gz SHKPLTPTFBVISV-NSHDSACASA-N 0 3 248.330 0.368 20 0 BCADHN CCc1noc(CN2CCNC[C@H]2C(F)F)n1 ZINC000843385277 588105569 /nfs/dbraw/zinc/10/55/69/588105569.db2.gz HTEMGPXHEQQMOY-ZETCQYMHSA-N 0 3 246.261 0.671 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H]1CCC=CO1 ZINC000843428412 588108604 /nfs/dbraw/zinc/10/86/04/588108604.db2.gz WOKYCTMENUTOPR-HBNTYKKESA-N 0 3 213.277 0.683 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)[C@H]1CCOC1 ZINC000843431096 588109183 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0.811 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000843495807 588115570 /nfs/dbraw/zinc/11/55/70/588115570.db2.gz VXXKQJLRUSTVME-RKDXNWHRSA-N 0 3 222.292 0.811 20 0 BCADHN CCc1cc(NC(=O)[C@@H](N)CC)nn1C ZINC000843501834 588116942 /nfs/dbraw/zinc/11/69/42/588116942.db2.gz PUABPPJMVTWGKQ-QMMMGPOBSA-N 0 3 210.281 0.658 20 0 BCADHN COCCN(C)CCNC(=O)C1(F)CC1 ZINC000843785405 588139843 /nfs/dbraw/zinc/13/98/43/588139843.db2.gz FNPAZCZIJFXOPJ-UHFFFAOYSA-N 0 3 218.272 0.183 20 0 BCADHN CO[C@@H](C)CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105325568 588140551 /nfs/dbraw/zinc/14/05/51/588140551.db2.gz XJDTWUBXJQJTGO-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CN1CCC[C@@H](CNC(=O)C2(F)CC2)C1 ZINC000843793038 588140620 /nfs/dbraw/zinc/14/06/20/588140620.db2.gz YWNMJQHDNFYERD-VIFPVBQESA-N 0 3 214.284 0.947 20 0 BCADHN CN(C)CCONC(=O)c1cn2c(n1)CCC2 ZINC000843897939 588148544 /nfs/dbraw/zinc/14/85/44/588148544.db2.gz LCJXGRPRGMOWON-UHFFFAOYSA-N 0 3 238.291 0.052 20 0 BCADHN C/C=C/C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000844042935 588157860 /nfs/dbraw/zinc/15/78/60/588157860.db2.gz XQGZTFNYAPMAHJ-PORFMDCZSA-N 0 3 239.319 0.141 20 0 BCADHN CC(C)(N)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000844168657 588171603 /nfs/dbraw/zinc/17/16/03/588171603.db2.gz NROZQFCDBUTYDG-UHFFFAOYSA-N 0 3 246.274 0.338 20 0 BCADHN CCNCC(=O)NCCN(C)CC(F)(F)F ZINC000844180285 588171996 /nfs/dbraw/zinc/17/19/96/588171996.db2.gz OQGPTGXZPXKQDT-UHFFFAOYSA-N 0 3 241.257 0.206 20 0 BCADHN CN(C(=O)C[C@H]1CSCCN1)c1cn[nH]c1 ZINC000844190729 588172839 /nfs/dbraw/zinc/17/28/39/588172839.db2.gz MMQCKPIJSMPUHZ-QMMMGPOBSA-N 0 3 240.332 0.468 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ncccn1 ZINC000844197381 588173510 /nfs/dbraw/zinc/17/35/10/588173510.db2.gz ZOXBWMACPMARSC-DTWKUNHWSA-N 0 3 220.276 0.299 20 0 BCADHN C[C@@H]1CC(NC(=O)[C@]2(F)CCNC2)C[C@@H](C)O1 ZINC000844202398 588173846 /nfs/dbraw/zinc/17/38/46/588173846.db2.gz JIFKAWDXGJBDER-LNLATYFQSA-N 0 3 244.310 0.760 20 0 BCADHN COC(=O)[C@@]1(F)CCN(C[C@H]2CCCN2C)C1 ZINC000844300913 588182220 /nfs/dbraw/zinc/18/22/20/588182220.db2.gz RTNPSPSZLLTFCE-ZYHUDNBSSA-N 0 3 244.310 0.668 20 0 BCADHN CN(C[C@H]1CN(C2CC2)C(=O)O1)CC(C)(C)O ZINC000844298292 588182361 /nfs/dbraw/zinc/18/23/61/588182361.db2.gz QSTUNOJKZOOTFN-JTQLQIEISA-N 0 3 242.319 0.672 20 0 BCADHN CN(C[C@H]1CN(C2CC2)C(=O)O1)C1CC(O)C1 ZINC000844319260 588184274 /nfs/dbraw/zinc/18/42/74/588184274.db2.gz VUOIFTYEXMJTEW-ILDUYXDCSA-N 0 3 240.303 0.425 20 0 BCADHN CN(CCCO)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844323879 588184968 /nfs/dbraw/zinc/18/49/68/588184968.db2.gz REMKKDNYSRBKIU-SNVBAGLBSA-N 0 3 228.292 0.284 20 0 BCADHN CO[C@H](C)CN(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844330485 588185537 /nfs/dbraw/zinc/18/55/37/588185537.db2.gz PGRNONARNJLINO-KOLCDFICSA-N 0 3 242.319 0.936 20 0 BCADHN CCN(CCN1CCOC1=O)[C@H]1CCCOC1 ZINC000844405180 588190505 /nfs/dbraw/zinc/19/05/05/588190505.db2.gz UBGRDRVMAZDIMC-NSHDSACASA-N 0 3 242.319 0.940 20 0 BCADHN O[C@@H](Cn1cccn1)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453806 588196023 /nfs/dbraw/zinc/19/60/23/588196023.db2.gz RMRZCEJENXHQDW-BBBLOLIVSA-N 0 3 243.257 0.441 20 0 BCADHN FC1(F)[C@H]2CN(C[C@H]3COCCO3)C[C@H]21 ZINC000844462749 588197253 /nfs/dbraw/zinc/19/72/53/588197253.db2.gz OKUMZISUBVGCDG-XHNCKOQMSA-N 0 3 219.231 0.599 20 0 BCADHN CN(C)CC[C@@H](N)c1nc(N(C)C)no1 ZINC000844681572 588213446 /nfs/dbraw/zinc/21/34/46/588213446.db2.gz SDXGYAYVGXFKRZ-SSDOTTSWSA-N 0 3 213.285 0.087 20 0 BCADHN COC/C(C)=C/C(=O)NC[C@H](C)N(C)C ZINC000845184511 588223443 /nfs/dbraw/zinc/22/34/43/588223443.db2.gz NZTXHKCXXAYNIX-ZKXNXJMVSA-N 0 3 214.309 0.645 20 0 BCADHN COCCN1[C@H](C)CN(C[C@@H](C)CO)C[C@@H]1C ZINC000121570021 588229738 /nfs/dbraw/zinc/22/97/38/588229738.db2.gz NQVGRIFWCDOBBC-UPJWGTAASA-N 0 3 244.379 0.656 20 0 BCADHN CCN1C[C@@H](CNc2cc(C)nc(N)n2)CC1=O ZINC000845681246 588240752 /nfs/dbraw/zinc/24/07/52/588240752.db2.gz IRODNWRTDCMSFY-SECBINFHSA-N 0 3 249.318 0.648 20 0 BCADHN CCON(C)C(=O)CNC1CCSCC1 ZINC000846062622 588254895 /nfs/dbraw/zinc/25/48/95/588254895.db2.gz JIBSPIDTQQCPEH-UHFFFAOYSA-N 0 3 232.349 0.882 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CCCSC1 ZINC000846063256 588254946 /nfs/dbraw/zinc/25/49/46/588254946.db2.gz FGMRZNLOYJOILU-SECBINFHSA-N 0 3 232.349 0.882 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CCC[C@@H](OC)C1 ZINC000846062201 588255079 /nfs/dbraw/zinc/25/50/79/588255079.db2.gz CLSYNNBIAPBIOK-GHMZBOCLSA-N 0 3 244.335 0.944 20 0 BCADHN CCON(C)C(=O)CN[C@@H](C)CCOC ZINC000846065812 588255170 /nfs/dbraw/zinc/25/51/70/588255170.db2.gz UQTRSCAYWNJSPQ-VIFPVBQESA-N 0 3 218.297 0.411 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CC[C@@H]1SC ZINC000846065614 588255310 /nfs/dbraw/zinc/25/53/10/588255310.db2.gz XXEKLYKMJDYJSY-BDAKNGLRSA-N 0 3 232.349 0.880 20 0 BCADHN CCON(C)C(=O)CN[C@H](C)COC(C)C ZINC000846064714 588255378 /nfs/dbraw/zinc/25/53/78/588255378.db2.gz UNHDOHVGKZKKFS-SNVBAGLBSA-N 0 3 232.324 0.799 20 0 BCADHN CCON(C)C(=O)CNCC1(OC)CCCC1 ZINC000846066429 588255452 /nfs/dbraw/zinc/25/54/52/588255452.db2.gz XZDWCNJQTDQJRS-UHFFFAOYSA-N 0 3 244.335 0.945 20 0 BCADHN CC[C@@H](CO)C(=O)N(C)CCN1CCCCC1 ZINC000846614386 588279623 /nfs/dbraw/zinc/27/96/23/588279623.db2.gz NCLWZGZEXYBEPT-LBPRGKRZSA-N 0 3 242.363 0.949 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)[C@H]2CCSC2)CC1 ZINC000846647287 588280539 /nfs/dbraw/zinc/28/05/39/588280539.db2.gz LKNUZWFWJZJFSF-VIFPVBQESA-N 0 3 244.360 0.882 20 0 BCADHN CC[C@H](NC(=O)[C@]1(F)CCNC1)[C@@H]1CCCO1 ZINC000846684963 588282856 /nfs/dbraw/zinc/28/28/56/588282856.db2.gz WKBJXPCSIDHFNI-NHCYSSNCSA-N 0 3 244.310 0.762 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000846691504 588283071 /nfs/dbraw/zinc/28/30/71/588283071.db2.gz NBCDMACTQVGPKH-GARJFASQSA-N 0 3 231.299 0.487 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2N)[C@H](C)CO1 ZINC000846690882 588283115 /nfs/dbraw/zinc/28/31/15/588283115.db2.gz KTWSWKNHVOWTBP-RGOKHQFPSA-N 0 3 212.293 0.360 20 0 BCADHN CCNCC(=O)N1CCC([C@@H](C)CO)CC1 ZINC000846697301 588283300 /nfs/dbraw/zinc/28/33/00/588283300.db2.gz NDQHOCIDVVPZIH-JTQLQIEISA-N 0 3 228.336 0.463 20 0 BCADHN CCNCC(=O)NC[C@H](CC1CC1)C(=O)OC ZINC000846697097 588283363 /nfs/dbraw/zinc/28/33/63/588283363.db2.gz KCWREAYMKYRYOW-JTQLQIEISA-N 0 3 242.319 0.301 20 0 BCADHN CCNCC(=O)N1CCC([C@H](C)CO)CC1 ZINC000846697302 588283474 /nfs/dbraw/zinc/28/34/74/588283474.db2.gz NDQHOCIDVVPZIH-SNVBAGLBSA-N 0 3 228.336 0.463 20 0 BCADHN CCNCC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000846701329 588283929 /nfs/dbraw/zinc/28/39/29/588283929.db2.gz VRHYOZVOMOTFKA-VIFPVBQESA-N 0 3 218.247 0.854 20 0 BCADHN CCN1C[C@H](CN(C)CC2(O)CCC2)OC1=O ZINC000846856448 588293932 /nfs/dbraw/zinc/29/39/32/588293932.db2.gz OTQRJGBXYJZRBU-JTQLQIEISA-N 0 3 242.319 0.674 20 0 BCADHN CCN1C[C@@H](CN(C)C[C@H](C)OC)OC1=O ZINC000846901737 588295760 /nfs/dbraw/zinc/29/57/60/588295760.db2.gz ABZSGHXCORIXDH-VHSXEESVSA-N 0 3 230.308 0.794 20 0 BCADHN CCN(C[C@@H]1CN(CC)C(=O)O1)[C@H]1CCOC1 ZINC000846914709 588296529 /nfs/dbraw/zinc/29/65/29/588296529.db2.gz MBKULKXOORZATR-WDEREUQCSA-N 0 3 242.319 0.938 20 0 BCADHN OCC(CO)NCc1ccc(CF)cc1 ZINC000846937936 588297551 /nfs/dbraw/zinc/29/75/51/588297551.db2.gz GVWKNIOLMVWDGZ-UHFFFAOYSA-N 0 3 213.252 0.599 20 0 BCADHN CCN1C[C@@H](CN(C)CC(C)(C)CO)OC1=O ZINC000846943153 588297727 /nfs/dbraw/zinc/29/77/27/588297727.db2.gz MISMYFSORFNHKP-SNVBAGLBSA-N 0 3 244.335 0.777 20 0 BCADHN CON1CCN(C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000846972296 588298424 /nfs/dbraw/zinc/29/84/24/588298424.db2.gz QPZHHSGTBCESNK-RYUDHWBXSA-N 0 3 228.336 0.981 20 0 BCADHN CON1CCN(C[C@@H]2CCOC2)CC1 ZINC000846975616 588299701 /nfs/dbraw/zinc/29/97/01/588299701.db2.gz HPQJGPRSACJIBW-JTQLQIEISA-N 0 3 200.282 0.202 20 0 BCADHN COCC[C@@H](C)N1CCN(OC)CC1 ZINC000846977314 588299873 /nfs/dbraw/zinc/29/98/73/588299873.db2.gz QEKRCGVWWXVFMA-SNVBAGLBSA-N 0 3 202.298 0.590 20 0 BCADHN OC[C@@H]1CN(Cc2ccc3nonc3c2)C[C@@H]1O ZINC000846990497 588300659 /nfs/dbraw/zinc/30/06/59/588300659.db2.gz JAWAZLUTKLPWHF-CABZTGNLSA-N 0 3 249.270 0.008 20 0 BCADHN COc1cnc(F)c(C(=O)NCCN(C)C)c1 ZINC000847282917 588310140 /nfs/dbraw/zinc/31/01/40/588310140.db2.gz DXGWCCJWEGNKFN-UHFFFAOYSA-N 0 3 241.266 0.521 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C(=O)O1 ZINC000848072185 588353764 /nfs/dbraw/zinc/35/37/64/588353764.db2.gz COQDVFNLKLPRGX-DTWKUNHWSA-N 0 3 240.303 0.291 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C(=O)O1 ZINC000848072187 588353817 /nfs/dbraw/zinc/35/38/17/588353817.db2.gz COQDVFNLKLPRGX-RKDXNWHRSA-N 0 3 240.303 0.291 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1C[C@H](C)OC1=O)N(C)C ZINC000848077631 588355079 /nfs/dbraw/zinc/35/50/79/588355079.db2.gz MXOYIOJRNQHYFM-DJLDLDEBSA-N 0 3 228.292 0.147 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1C[C@@H](C)OC1=O ZINC000848078344 588355354 /nfs/dbraw/zinc/35/53/54/588355354.db2.gz SCSRUGOHZMGBFW-BDAKNGLRSA-N 0 3 228.292 0.148 20 0 BCADHN COCOCCCNC(=O)Cc1nc[nH]c1C ZINC000848167294 588363415 /nfs/dbraw/zinc/36/34/15/588363415.db2.gz HBONWYBTXONNJO-UHFFFAOYSA-N 0 3 241.291 0.387 20 0 BCADHN CCN(CC)CC(=O)NCCCOCOC ZINC000848170413 588364289 /nfs/dbraw/zinc/36/42/89/588364289.db2.gz OOLLDZFRCZPEAP-UHFFFAOYSA-N 0 3 232.324 0.455 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](O)c1ccccc1C ZINC000848399665 588377280 /nfs/dbraw/zinc/37/72/80/588377280.db2.gz WSTWOXPPRRBXMJ-CMPLNLGQSA-N 0 3 236.315 0.753 20 0 BCADHN CCOC(=O)[C@@H](CC1CC1)NC(=O)[C@H](C)NC ZINC000848406671 588378792 /nfs/dbraw/zinc/37/87/92/588378792.db2.gz PXIZBGNAUZKHNU-WCBMZHEXSA-N 0 3 242.319 0.442 20 0 BCADHN CN[C@@H](C)C(=O)NCCOc1cccnc1 ZINC000848413043 588380833 /nfs/dbraw/zinc/38/08/33/588380833.db2.gz INDCFVDRUUIVHG-VIFPVBQESA-N 0 3 223.276 0.185 20 0 BCADHN CC[C@@H](NC(=O)[C@@H]1C[C@@H]1N)[C@H]1CCCCO1 ZINC000848442692 588385172 /nfs/dbraw/zinc/38/51/72/588385172.db2.gz HKJZHXVTEHERBB-LMLFDSFASA-N 0 3 226.320 0.798 20 0 BCADHN C[C@H](O)CNCc1cnc(Cl)n1C ZINC000848526434 588393507 /nfs/dbraw/zinc/39/35/07/588393507.db2.gz XFIGFKCJLJBUNN-LURJTMIESA-N 0 3 203.673 0.544 20 0 BCADHN Cn1c(CNCCN2CCC2)cnc1Cl ZINC000848543047 588395349 /nfs/dbraw/zinc/39/53/49/588395349.db2.gz HONGVLKYTWZWRW-UHFFFAOYSA-N 0 3 228.727 0.869 20 0 BCADHN Cn1c(Cl)ncc1CNCCCOCCO ZINC000848547660 588395825 /nfs/dbraw/zinc/39/58/25/588395825.db2.gz RQMMTXGFMPEXFS-UHFFFAOYSA-N 0 3 247.726 0.562 20 0 BCADHN COC[C@H](O)CNCc1cnc(Cl)n1C ZINC000848551353 588396194 /nfs/dbraw/zinc/39/61/94/588396194.db2.gz KIAGKJOUMXIJBV-MRVPVSSYSA-N 0 3 233.699 0.170 20 0 BCADHN Cn1c(CN[C@H]2C[C@@H](O)C2)cnc1Cl ZINC000848555275 588396707 /nfs/dbraw/zinc/39/67/07/588396707.db2.gz NWUXNIGKNBAKED-WRXNHJIOSA-N 0 3 215.684 0.686 20 0 BCADHN C[C@@H]1OCC[C@H]1NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848572820 588399222 /nfs/dbraw/zinc/39/92/22/588399222.db2.gz WCEIKIQMCLYEFM-JMJZKYOTSA-N 0 3 240.303 0.737 20 0 BCADHN CON(C)C(=O)N[C@H](CN)C(F)(F)F ZINC000848597647 588401537 /nfs/dbraw/zinc/40/15/37/588401537.db2.gz QSIRBBRDRHSZQT-SCSAIBSYSA-N 0 3 215.175 0.079 20 0 BCADHN COC(=O)/C=C/c1ccc(CNC[C@@H](C)O)o1 ZINC000848898554 588417629 /nfs/dbraw/zinc/41/76/29/588417629.db2.gz DYXPPZSYCIMEDN-VUHVRTRXSA-N 0 3 239.271 0.936 20 0 BCADHN C=CC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000848979490 588423268 /nfs/dbraw/zinc/42/32/68/588423268.db2.gz XHCHDMZCMXBFON-NSHDSACASA-N 0 3 226.320 0.742 20 0 BCADHN CCNC(=[NH2+])NCc1nnc(C(F)(F)F)[n-]1 ZINC000849020145 588438412 /nfs/dbraw/zinc/43/84/12/588438412.db2.gz OWGZAXYWYYCYJI-UHFFFAOYSA-N 0 3 236.201 0.457 20 0 BCADHN CCNC(=[NH2+])NCc1nc(C(F)(F)F)n[n-]1 ZINC000849020145 588438414 /nfs/dbraw/zinc/43/84/14/588438414.db2.gz OWGZAXYWYYCYJI-UHFFFAOYSA-N 0 3 236.201 0.457 20 0 BCADHN CCc1nnc(CNC(=N)Nc2ccccn2)[nH]1 ZINC000849031957 588443242 /nfs/dbraw/zinc/44/32/42/588443242.db2.gz CXFOSQCRBZINNT-UHFFFAOYSA-N 0 3 245.290 0.899 20 0 BCADHN CON(C)C(=O)CNC(=N)Nc1ccccn1 ZINC000849044003 588449329 /nfs/dbraw/zinc/44/93/29/588449329.db2.gz PLENIVQOCVMQLS-UHFFFAOYSA-N 0 3 237.263 0.038 20 0 BCADHN C[C@H](O)CCCc1cn(CCN(C)C)nn1 ZINC000849138030 588454438 /nfs/dbraw/zinc/45/44/38/588454438.db2.gz WTTHWCBRZIHADZ-JTQLQIEISA-N 0 3 226.324 0.543 20 0 BCADHN COC(=O)c1cc(-n2cc([C@@H](C)N)nn2)ccn1 ZINC000849150394 588456261 /nfs/dbraw/zinc/45/62/61/588456261.db2.gz NZJCSVHRZVBWRC-SSDOTTSWSA-N 0 3 247.258 0.469 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2cnsn2)C1 ZINC000108339586 588460926 /nfs/dbraw/zinc/46/09/26/588460926.db2.gz FVKKWJPKVJXSCV-MRVPVSSYSA-N 0 3 240.332 0.610 20 0 BCADHN COCCN(C)CCNC(=S)NCC1CC1 ZINC000849256872 588465604 /nfs/dbraw/zinc/46/56/04/588465604.db2.gz WIOXUZCVIVULCQ-UHFFFAOYSA-N 0 3 245.392 0.439 20 0 BCADHN C[C@@H]1CN(C[C@]2(O)CCCOC2)CCN1C ZINC000849324067 588472389 /nfs/dbraw/zinc/47/23/89/588472389.db2.gz DCMZWILHHKGZDM-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@@H](O)CCOC(=O)C1CCCN(C)C1=O ZINC000849790841 588499277 /nfs/dbraw/zinc/49/92/77/588499277.db2.gz BISXJYNKLKVUQW-RKDXNWHRSA-N 0 3 229.276 0.169 20 0 BCADHN C[C@H](O)CCOC(=O)C1CCCN(C)C1=O ZINC000849790840 588499389 /nfs/dbraw/zinc/49/93/89/588499389.db2.gz BISXJYNKLKVUQW-IUCAKERBSA-N 0 3 229.276 0.169 20 0 BCADHN Cc1ncc(CN[C@H](CO)C2CC2)n1C ZINC000850137015 588521456 /nfs/dbraw/zinc/52/14/56/588521456.db2.gz IFSVESMGEMAPDI-LLVKDONJSA-N 0 3 209.293 0.589 20 0 BCADHN CC[C@@H]1C[C@H](NCC(=O)N(CC)OC)CO1 ZINC000850338527 588537279 /nfs/dbraw/zinc/53/72/79/588537279.db2.gz ITTHTODMFMVBKH-VHSXEESVSA-N 0 3 230.308 0.553 20 0 BCADHN COC[C@@H](CCNCc1ccc(C)nn1)OC ZINC000850346685 588538275 /nfs/dbraw/zinc/53/82/75/588538275.db2.gz WUHOHWQOODFXMQ-GFCCVEGCSA-N 0 3 239.319 0.926 20 0 BCADHN OCCO[C@]1(CNCc2ccoc2)CCOC1 ZINC000850357862 588539257 /nfs/dbraw/zinc/53/92/57/588539257.db2.gz ALIMYUTWYJJBHN-LBPRGKRZSA-N 0 3 241.287 0.537 20 0 BCADHN CC[S@@](=O)CCN[C@H](C)Cn1cncn1 ZINC000850434787 588546106 /nfs/dbraw/zinc/54/61/06/588546106.db2.gz XQVUIHDHBKFNLM-RFAUZJTJSA-N 0 3 230.337 0.025 20 0 BCADHN CON(C)CCN[C@H](C)c1cc(C)nn1C ZINC000850478061 588549692 /nfs/dbraw/zinc/54/96/92/588549692.db2.gz NAVWVVHQJWZPMG-SNVBAGLBSA-N 0 3 226.324 0.872 20 0 BCADHN CC[C@@H](NCCN(C)OC)c1cnn(C)c1 ZINC000850479984 588551184 /nfs/dbraw/zinc/55/11/84/588551184.db2.gz HOLRZHJRIDBRDZ-LLVKDONJSA-N 0 3 226.324 0.954 20 0 BCADHN COCc1nnc(C[NH2+][C@@H]2CC[C@@H]2C)[n-]1 ZINC000850514854 588556047 /nfs/dbraw/zinc/55/60/47/588556047.db2.gz QQYQBRDKKMSGRT-JGVFFNPUSA-N 0 3 210.281 0.839 20 0 BCADHN NC[C@H](NC(=O)N[C@H]1C=CCC1)C(F)(F)F ZINC000850754631 588565340 /nfs/dbraw/zinc/56/53/40/588565340.db2.gz UVBAIUMVRKXDSH-BQBZGAKWSA-N 0 3 237.225 0.894 20 0 BCADHN COC[C@H](OC)C(=O)O[C@@H](C)CN1CCCC1 ZINC000851103312 588590953 /nfs/dbraw/zinc/59/09/53/588590953.db2.gz LUJRTRQVRQBNTC-QWRGUYRKSA-N 0 3 245.319 0.675 20 0 BCADHN CC(C)NCC(=O)NCc1nc(C2CC2)no1 ZINC000851628209 588611975 /nfs/dbraw/zinc/61/19/75/588611975.db2.gz NAENTFIXWWNUOV-UHFFFAOYSA-N 0 3 238.291 0.561 20 0 BCADHN CCn1nc(C)c(CNC(=O)CNC(C)C)n1 ZINC000851640638 588612654 /nfs/dbraw/zinc/61/26/54/588612654.db2.gz AFKRMFXKEPXTSQ-UHFFFAOYSA-N 0 3 239.323 0.221 20 0 BCADHN Cn1ncc(C2CC2)c1CNC(=O)[C@@H]1C[C@@H]1N ZINC000851644422 588612675 /nfs/dbraw/zinc/61/26/75/588612675.db2.gz QGMVXBBPCVHGIX-SCZZXKLOSA-N 0 3 234.303 0.261 20 0 BCADHN NC1(C(=O)NC[C@]23OCCC[C@H]2C3(F)F)CC1 ZINC000851644821 588612749 /nfs/dbraw/zinc/61/27/49/588612749.db2.gz YCIPCPHIWXSCCB-XCBNKYQSSA-N 0 3 246.257 0.408 20 0 BCADHN CCNCC(=O)NCc1nccc(OC)c1F ZINC000851643750 588612783 /nfs/dbraw/zinc/61/27/83/588612783.db2.gz DFCRKVRASVPVQK-UHFFFAOYSA-N 0 3 241.266 0.455 20 0 BCADHN C[C@]1(CNC(=O)[C@@H]2C[C@@H]2N)CC1(F)F ZINC000851643694 588612980 /nfs/dbraw/zinc/61/29/80/588612980.db2.gz BXJNEYNMPPCKCR-GKROBHDKSA-N 0 3 204.220 0.495 20 0 BCADHN O=C(CNC[C@H]1CCCO1)N[C@H]1C=CCC1 ZINC000851641804 588612805 /nfs/dbraw/zinc/61/28/05/588612805.db2.gz MZIIOBDSLOYYMK-WDEREUQCSA-N 0 3 224.304 0.590 20 0 BCADHN CNCC(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000851644528 588612926 /nfs/dbraw/zinc/61/29/26/588612926.db2.gz RZTLRTLKKSYYHT-APPZFPTMSA-N 0 3 234.246 0.136 20 0 BCADHN CS/C=C\C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851648365 588613114 /nfs/dbraw/zinc/61/31/14/588613114.db2.gz DJBMZKZIRSETLB-IZOSAOGQSA-N 0 3 218.297 0.761 20 0 BCADHN CC(C)OCCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851648289 588613237 /nfs/dbraw/zinc/61/32/37/588613237.db2.gz AJVZUKQFTHPQSM-NXEZZACHSA-N 0 3 232.299 0.699 20 0 BCADHN COCCN(CCOC)CCOC(F)F ZINC000851713828 588615851 /nfs/dbraw/zinc/61/58/51/588615851.db2.gz BDTCOGNYDWNPON-UHFFFAOYSA-N 0 3 227.251 0.820 20 0 BCADHN CC1(C)OC[C@@H](CN2CCC(C(N)=O)CC2)O1 ZINC000851718883 588616958 /nfs/dbraw/zinc/61/69/58/588616958.db2.gz REZSIFSWDJXZRS-SNVBAGLBSA-N 0 3 242.319 0.335 20 0 BCADHN CC1(C)OC[C@H](CN2CCC[C@@H](CO)C2)O1 ZINC000851720389 588617080 /nfs/dbraw/zinc/61/70/80/588617080.db2.gz IFJPPUIQGLICLT-MNOVXSKESA-N 0 3 229.320 0.842 20 0 BCADHN CN1CCN(CC[C@@H]2COC(C)(C)O2)CC1 ZINC000851721111 588617169 /nfs/dbraw/zinc/61/71/69/588617169.db2.gz BHFYJFKASDJSOW-LLVKDONJSA-N 0 3 228.336 0.775 20 0 BCADHN OC[C@@H]1CCCN(CCOC(F)F)C1 ZINC000851720701 588617187 /nfs/dbraw/zinc/61/71/87/588617187.db2.gz QRQPJTOFOHLQRJ-MRVPVSSYSA-N 0 3 209.236 0.930 20 0 BCADHN OCC1CCN(CCOC(F)F)CC1 ZINC000851726558 588618137 /nfs/dbraw/zinc/61/81/37/588618137.db2.gz RWFUHGXUWZYKOX-UHFFFAOYSA-N 0 3 209.236 0.930 20 0 BCADHN OCC1CCN(C[C@H](O)c2ccccn2)CC1 ZINC000851726207 588618185 /nfs/dbraw/zinc/61/81/85/588618185.db2.gz NKVOVQFGBAVSIP-ZDUSSCGKSA-N 0 3 236.315 0.819 20 0 BCADHN COC(=O)[C@@H]1CCN(CCOC(F)F)C1 ZINC000851730240 588618874 /nfs/dbraw/zinc/61/88/74/588618874.db2.gz OBTXQFXEQDWONO-SSDOTTSWSA-N 0 3 223.219 0.721 20 0 BCADHN CCCN(CCO)C[C@@H]1COC(C)(C)O1 ZINC000851729391 588619173 /nfs/dbraw/zinc/61/91/73/588619173.db2.gz MMOYFVPAWKXBRB-SNVBAGLBSA-N 0 3 217.309 0.842 20 0 BCADHN CC1(C)OC[C@@H](CN2CCCC[C@H]2CO)O1 ZINC000851729863 588619181 /nfs/dbraw/zinc/61/91/81/588619181.db2.gz QRDIEQDQKNVENG-WDEREUQCSA-N 0 3 229.320 0.985 20 0 BCADHN COC(=O)[C@H]1CCN(C[C@H]2COC(C)(C)O2)C1 ZINC000851731097 588619447 /nfs/dbraw/zinc/61/94/47/588619447.db2.gz WRVGZZKZVZWQIF-UWVGGRQHSA-N 0 3 243.303 0.633 20 0 BCADHN CCN(CC(=O)NC)[C@@H]1CCO[C@H](C)C1 ZINC000851733011 588619903 /nfs/dbraw/zinc/61/99/03/588619903.db2.gz HIWQUGFZNGRGON-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)N(CCO)C[C@H]1COC(C)(C)O1 ZINC000851733915 588620078 /nfs/dbraw/zinc/62/00/78/588620078.db2.gz JPQNPHJKPNTWLD-JTQLQIEISA-N 0 3 217.309 0.841 20 0 BCADHN CC(C)N1CCCN(Cc2cnon2)CC1 ZINC000851747583 588622183 /nfs/dbraw/zinc/62/21/83/588622183.db2.gz GHCMRTGABLQJII-UHFFFAOYSA-N 0 3 224.308 0.986 20 0 BCADHN CNC(=O)CCN(C)C[C@@H](O)c1ccccn1 ZINC000851749060 588622594 /nfs/dbraw/zinc/62/25/94/588622594.db2.gz UQIBZXGMUDQVCH-LLVKDONJSA-N 0 3 237.303 0.183 20 0 BCADHN CN(CCn1cccn1)C[C@H]1COC(C)(C)O1 ZINC000851769497 588625356 /nfs/dbraw/zinc/62/53/56/588625356.db2.gz LSJMJZIEMVTEEI-NSHDSACASA-N 0 3 239.319 0.966 20 0 BCADHN C[C@@H](O)CN(C)C[C@@H]1COC(C)(C)O1 ZINC000851782979 588625534 /nfs/dbraw/zinc/62/55/34/588625534.db2.gz GBTZGRACYDFQFI-RKDXNWHRSA-N 0 3 203.282 0.451 20 0 BCADHN CO[C@@H]1CC[C@H](N(C)[C@H]2CCN(C)C2=O)C1 ZINC000851778392 588627114 /nfs/dbraw/zinc/62/71/14/588627114.db2.gz IWIXURQCAGDLLE-AXFHLTTASA-N 0 3 226.320 0.716 20 0 BCADHN O=C1CC[C@@H](CN(CCCCO)C2CC2)O1 ZINC000851781894 588627682 /nfs/dbraw/zinc/62/76/82/588627682.db2.gz HTMKEEZYKGOEBR-NSHDSACASA-N 0 3 227.304 0.929 20 0 BCADHN C[C@H](O)CN(C)C[C@H](O)c1ccccn1 ZINC000851784488 588628578 /nfs/dbraw/zinc/62/85/78/588628578.db2.gz UOFZINZFITXNAU-ONGXEEELSA-N 0 3 210.277 0.428 20 0 BCADHN CCN(CCCO)C[C@@H]1CCC(=O)O1 ZINC000851792897 588629237 /nfs/dbraw/zinc/62/92/37/588629237.db2.gz TYJXSCUSGVLQLD-VIFPVBQESA-N 0 3 201.266 0.396 20 0 BCADHN CO[C@@H]1CCN(CCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000851800892 588630589 /nfs/dbraw/zinc/63/05/89/588630589.db2.gz VCJOLVVALIUBDR-JHJVBQTASA-N 0 3 242.363 0.816 20 0 BCADHN CC1(C)OC[C@H](CN2CC[C@@](C)(O)C2)O1 ZINC000851800990 588630936 /nfs/dbraw/zinc/63/09/36/588630936.db2.gz XUTDZKQCGQOAKB-GXSJLCMTSA-N 0 3 215.293 0.595 20 0 BCADHN COC[C@@](C)(CCO)NC[C@@H]1CCC(=O)O1 ZINC000851806824 588631415 /nfs/dbraw/zinc/63/14/15/588631415.db2.gz AIMCHDPOPZUNPM-GXSJLCMTSA-N 0 3 231.292 0.069 20 0 BCADHN CC[C@@H]1CN(C[C@@H](O)c2ccccn2)C[C@@H]1O ZINC000851881015 588639553 /nfs/dbraw/zinc/63/95/53/588639553.db2.gz VUAQODNKQIZEOR-KGYLQXTDSA-N 0 3 236.315 0.818 20 0 BCADHN CC1(C)OC[C@H](CN2CCC[C@](C)(O)C2)O1 ZINC000851884758 588639889 /nfs/dbraw/zinc/63/98/89/588639889.db2.gz FRDMSHNJNGNVRP-JQWIXIFHSA-N 0 3 229.320 0.985 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CCN3C(=O)CC[C@H]3C2)C1 ZINC000851883743 588639948 /nfs/dbraw/zinc/63/99/48/588639948.db2.gz JAHRWAGMQDPBIQ-GRYCIOLGSA-N 0 3 238.331 0.861 20 0 BCADHN c1c[nH]c([C@H]2CCCN2CCc2c[nH]nn2)n1 ZINC000851887223 588640569 /nfs/dbraw/zinc/64/05/69/588640569.db2.gz MYMXFELKTDWQIA-SNVBAGLBSA-N 0 3 232.291 0.907 20 0 BCADHN C[C@@H]1[C@H](C)N(C[C@H]2CCC(=O)O2)CCN1C ZINC000851889828 588641199 /nfs/dbraw/zinc/64/11/99/588641199.db2.gz PNXBRHKNKOGYSV-OUAUKWLOSA-N 0 3 226.320 0.716 20 0 BCADHN COCCCOCCN(C)C[C@H]1CCC(=O)O1 ZINC000851892345 588641502 /nfs/dbraw/zinc/64/15/02/588641502.db2.gz LWXQZMNVBOLISC-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN CC1(C)OC[C@@H](CCNC2(C(N)=O)CC2)O1 ZINC000851911598 588642874 /nfs/dbraw/zinc/64/28/74/588642874.db2.gz YGMOAMODAFECPG-MRVPVSSYSA-N 0 3 228.292 0.136 20 0 BCADHN C[C@@H](NC[C@H]1CCC(=O)O1)c1cn[nH]c1 ZINC000851934411 588645438 /nfs/dbraw/zinc/64/54/38/588645438.db2.gz AZXCQNIJMQUNAO-VXNVDRBHSA-N 0 3 209.249 0.766 20 0 BCADHN C[C@]1(CO)CCCN1C[C@H](O)c1ccccn1 ZINC000851935818 588645732 /nfs/dbraw/zinc/64/57/32/588645732.db2.gz HKZMFIBEUHYHRU-QWHCGFSZSA-N 0 3 236.315 0.962 20 0 BCADHN CN(C[C@H]1CCC(=O)O1)CC1(O)CCC1 ZINC000851936283 588645937 /nfs/dbraw/zinc/64/59/37/588645937.db2.gz KPHVIEAAXOSIRQ-SECBINFHSA-N 0 3 213.277 0.539 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CCN3CCOC[C@H]3C2)C1 ZINC000851934806 588646101 /nfs/dbraw/zinc/64/61/01/588646101.db2.gz GUZQOAQJCMLURE-JHJVBQTASA-N 0 3 240.347 0.570 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)c2ccccn2)CC[C@@H]1O ZINC000851955998 588647656 /nfs/dbraw/zinc/64/76/56/588647656.db2.gz ALYBMZZZASDKRY-KGYLQXTDSA-N 0 3 236.315 0.818 20 0 BCADHN CC1(C)CN(C[C@H]2CCC(=O)O2)CC[C@@H]1O ZINC000851969439 588649409 /nfs/dbraw/zinc/64/94/09/588649409.db2.gz ZWYDCCFJYXAHAW-ZJUUUORDSA-N 0 3 227.304 0.785 20 0 BCADHN CO[C@@H]1CC[C@H](N2C[C@H](CO)O[C@@H](C)C2)C1 ZINC000851975980 588650365 /nfs/dbraw/zinc/65/03/65/588650365.db2.gz WERXNGWZCJXBPC-NNYUYHANSA-N 0 3 229.320 0.636 20 0 BCADHN CCN(CC[C@@H]1COC(C)(C)O1)CC(N)=O ZINC000851977524 588650690 /nfs/dbraw/zinc/65/06/90/588650690.db2.gz CEQFHJGPGUZBQM-SECBINFHSA-N 0 3 230.308 0.335 20 0 BCADHN C[C@H]1CCNC(=O)[C@H]1NCCOC(F)F ZINC000852014067 588655486 /nfs/dbraw/zinc/65/54/86/588655486.db2.gz YQZMUADYZPVTJK-BQBZGAKWSA-N 0 3 222.235 0.340 20 0 BCADHN CO[C@H]1CC[C@H](N2C[C@@H]3COC[C@H](C2)O3)C1 ZINC000852017604 588655805 /nfs/dbraw/zinc/65/58/05/588655805.db2.gz DZGGURZOGKTZOX-FIQHERPVSA-N 0 3 227.304 0.654 20 0 BCADHN CO[C@@H]1CC[C@@H](N2C[C@@H]3COC[C@H](C2)O3)C1 ZINC000852017605 588655945 /nfs/dbraw/zinc/65/59/45/588655945.db2.gz DZGGURZOGKTZOX-KKOKHZNYSA-N 0 3 227.304 0.654 20 0 BCADHN CCN1CCN(C[C@H]2CCC(=O)O2)[C@H](C)C1 ZINC000852040628 588657028 /nfs/dbraw/zinc/65/70/28/588657028.db2.gz LJXOWYCZJXEASG-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN CC(C)[C@](C)(NC[C@@H]1COC(C)(C)O1)C(N)=O ZINC000852040896 588657234 /nfs/dbraw/zinc/65/72/34/588657234.db2.gz PLVJJESRQQFTRV-SKDRFNHKSA-N 0 3 244.335 0.628 20 0 BCADHN CO[C@H](C)CN(C)C[C@H]1CCC(=O)O1 ZINC000852044985 588657500 /nfs/dbraw/zinc/65/75/00/588657500.db2.gz JINSZGKXHPKUMA-RKDXNWHRSA-N 0 3 201.266 0.659 20 0 BCADHN CC[C@H](O)CN1CCC(c2nc(N)n[nH]2)CC1 ZINC000852056399 588658359 /nfs/dbraw/zinc/65/83/59/588658359.db2.gz LBJALDCFIVEBDT-VIFPVBQESA-N 0 3 239.323 0.337 20 0 BCADHN CN1C[C@@H]2CCN(C[C@@H](O)c3ccccn3)[C@@H]2C1 ZINC000852074939 588659697 /nfs/dbraw/zinc/65/96/97/588659697.db2.gz GJXCTYVHVLADLQ-IACUBPJLSA-N 0 3 247.342 0.751 20 0 BCADHN COCC1(NCC2OCCO2)CCOCC1 ZINC000852091547 588660663 /nfs/dbraw/zinc/66/06/63/588660663.db2.gz YVCVOMMRRJYSCF-UHFFFAOYSA-N 0 3 231.292 0.145 20 0 BCADHN CN(CC[C@H]1COC(C)(C)O1)C(C)(C)C(N)=O ZINC000852097155 588662351 /nfs/dbraw/zinc/66/23/51/588662351.db2.gz RRYGDICAQQTMQH-VIFPVBQESA-N 0 3 244.335 0.724 20 0 BCADHN CC1(C)OC[C@H](CCN2CCOC[C@@H](O)C2)O1 ZINC000852111503 588664424 /nfs/dbraw/zinc/66/44/24/588664424.db2.gz BABCBBHLGDMDEJ-QWRGUYRKSA-N 0 3 245.319 0.221 20 0 BCADHN Cc1nccn1CCN1CC[C@](O)(C(F)F)C1 ZINC000852121364 588664968 /nfs/dbraw/zinc/66/49/68/588664968.db2.gz PDVKUUWWHHDXDM-LLVKDONJSA-N 0 3 245.273 0.893 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NC[C@H](O)c1ccccn1 ZINC000852124683 588665819 /nfs/dbraw/zinc/66/58/19/588665819.db2.gz BTJCFLOYPDRMMD-QJPTWQEYSA-N 0 3 236.315 0.864 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1NC[C@@H](O)c1ccccn1 ZINC000852124681 588665866 /nfs/dbraw/zinc/66/58/66/588665866.db2.gz BTJCFLOYPDRMMD-GRYCIOLGSA-N 0 3 236.315 0.864 20 0 BCADHN CN1CC[C@@H]2CN(C[C@H](O)c3ccccn3)C[C@@H]21 ZINC000852137138 588666561 /nfs/dbraw/zinc/66/65/61/588666561.db2.gz VAWHDYLJIABSPW-XBFCOCLRSA-N 0 3 247.342 0.751 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCN(OC)CC2)C1 ZINC000852143803 588666637 /nfs/dbraw/zinc/66/66/37/588666637.db2.gz IBNSQUZTUHAVCS-WDEREUQCSA-N 0 3 214.309 0.733 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C[C@H](O)c1ccccn1 ZINC000852143591 588666685 /nfs/dbraw/zinc/66/66/85/588666685.db2.gz PIHSNYSAQFEAFG-JLLWLGSASA-N 0 3 222.288 0.570 20 0 BCADHN CC1(C)COC[C@@H]1NC[C@H]1CCC(=O)O1 ZINC000852141456 588666753 /nfs/dbraw/zinc/66/67/53/588666753.db2.gz QCCXZOHPYDCXIT-BDAKNGLRSA-N 0 3 213.277 0.707 20 0 BCADHN CON1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000852143437 588666904 /nfs/dbraw/zinc/66/69/04/588666904.db2.gz BJUUKZZPZWHNEO-GHMZBOCLSA-N 0 3 214.309 0.469 20 0 BCADHN CCNC(=O)C(C)(C)NC[C@@H]1COC(C)(C)O1 ZINC000852156223 588667816 /nfs/dbraw/zinc/66/78/16/588667816.db2.gz QZHWMTHMIDHQGL-SECBINFHSA-N 0 3 244.335 0.642 20 0 BCADHN CCN1CCCN(Cc2cnn(C)n2)[C@H](C)C1 ZINC000852167072 588668788 /nfs/dbraw/zinc/66/87/88/588668788.db2.gz VNLWDKCFPZQIFZ-LLVKDONJSA-N 0 3 237.351 0.731 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@H]1COC(C)(C)O1 ZINC000852164374 588668852 /nfs/dbraw/zinc/66/88/52/588668852.db2.gz YEZNWPCLJPUUBP-LPEHRKFASA-N 0 3 231.292 0.141 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NCc1ncccn1 ZINC000852186714 588670477 /nfs/dbraw/zinc/67/04/77/588670477.db2.gz HNZPDTQVRFUQBL-JTQLQIEISA-N 0 3 249.318 0.370 20 0 BCADHN CC(=O)N[C@H]1CCN(C[C@H]2COC(C)(C)O2)C1 ZINC000852184977 588670769 /nfs/dbraw/zinc/67/07/69/588670769.db2.gz RSVITNOUCFFECY-QWRGUYRKSA-N 0 3 242.319 0.348 20 0 BCADHN O=C1CC[C@H](CN2CC[C@@H]3OCC[C@@H]3C2)O1 ZINC000852205923 588671623 /nfs/dbraw/zinc/67/16/23/588671623.db2.gz AYYQQFDMMCKZSR-MXWKQRLJSA-N 0 3 225.288 0.803 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1C[C@H]1COC(C)(C)O1 ZINC000852211718 588672742 /nfs/dbraw/zinc/67/27/42/588672742.db2.gz OZQQPZNQYKCGOR-MXWKQRLJSA-N 0 3 245.319 0.220 20 0 BCADHN CCCN1CC[C@H](NC(=O)NOCCOC)C1 ZINC000852287718 588675651 /nfs/dbraw/zinc/67/56/51/588675651.db2.gz LJLRPZSGZRMXTE-JTQLQIEISA-N 0 3 245.323 0.348 20 0 BCADHN CC(=O)CCN(CCOCCO)C1CCC1 ZINC000852293065 588676688 /nfs/dbraw/zinc/67/66/88/588676688.db2.gz SHEVFGBASDMBLD-UHFFFAOYSA-N 0 3 229.320 0.829 20 0 BCADHN CC[C@H](C)N(CC)CCS(N)(=O)=O ZINC000852293581 588676839 /nfs/dbraw/zinc/67/68/39/588676839.db2.gz OLYBAEFDGKLCNC-QMMMGPOBSA-N 0 3 208.327 0.395 20 0 BCADHN CONC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000852411116 588681266 /nfs/dbraw/zinc/68/12/66/588681266.db2.gz DXDXWPBIOZELRS-MRVPVSSYSA-N 0 3 215.297 0.720 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@H](N2CCOC2=O)C1 ZINC000852438620 588682015 /nfs/dbraw/zinc/68/20/15/588682015.db2.gz UROBYRYILXRZPI-QWRGUYRKSA-N 0 3 242.319 0.530 20 0 BCADHN O=C1OCCN1[C@@H]1CCN(CCCCO)C1 ZINC000852434109 588682046 /nfs/dbraw/zinc/68/20/46/588682046.db2.gz WWURIGJAILBCOG-SNVBAGLBSA-N 0 3 228.292 0.285 20 0 BCADHN C[C@H](O)CCCN1CC[C@H](N2CCOC2=O)C1 ZINC000852438530 588682116 /nfs/dbraw/zinc/68/21/16/588682116.db2.gz SELLVKAUQSXGLK-QWRGUYRKSA-N 0 3 242.319 0.674 20 0 BCADHN CO[C@H](C)CN1CC[C@H](N2CCOC2=O)C1 ZINC000852437931 588682188 /nfs/dbraw/zinc/68/21/88/588682188.db2.gz KGSPZWMWEZOKFO-ZJUUUORDSA-N 0 3 228.292 0.548 20 0 BCADHN CC[C@H](CN1CC[C@H](N2CCOC2=O)C1)OC ZINC000852444634 588682690 /nfs/dbraw/zinc/68/26/90/588682690.db2.gz WKYYYMIERNUXJU-WDEREUQCSA-N 0 3 242.319 0.938 20 0 BCADHN CN(CCOC(F)F)C[C@@H]1COCCO1 ZINC000852499129 588685895 /nfs/dbraw/zinc/68/58/95/588685895.db2.gz ZCPOLTBDAQHQAM-MRVPVSSYSA-N 0 3 225.235 0.573 20 0 BCADHN CC(C)C(=O)CCN1CCC(O)(CO)CC1 ZINC000852501268 588686451 /nfs/dbraw/zinc/68/64/51/588686451.db2.gz YEBBOPVUMKBWKY-UHFFFAOYSA-N 0 3 229.320 0.421 20 0 BCADHN C[C@]12COC[C@H]1CN([C@@H]1CCOC1=O)C2 ZINC000852534821 588687942 /nfs/dbraw/zinc/68/79/42/588687942.db2.gz QFQLIRJPRLCCHL-KKZNHRDASA-N 0 3 211.261 0.270 20 0 BCADHN C[C@@]12COC[C@@H]1CN(CCN1CCOC1=O)C2 ZINC000852534694 588688605 /nfs/dbraw/zinc/68/86/05/588688605.db2.gz NWVQDRRFQURKRL-CMPLNLGQSA-N 0 3 240.303 0.407 20 0 BCADHN CC1(C)OC[C@H](CN2CC[C@@]3(O)C[C@H]3C2)O1 ZINC000852538346 588689007 /nfs/dbraw/zinc/68/90/07/588689007.db2.gz ZMQORKQWRFSWLN-JBLDHEPKSA-N 0 3 227.304 0.595 20 0 BCADHN O=C(CCN1CC[C@@]2(O)C[C@H]2C1)C1CC1 ZINC000852539226 588689143 /nfs/dbraw/zinc/68/91/43/588689143.db2.gz QWFSCNUKKLMTQD-CMPLNLGQSA-N 0 3 209.289 0.812 20 0 BCADHN COC(=O)N(C)CCN(C)CCOC(F)F ZINC000852567344 588690857 /nfs/dbraw/zinc/69/08/57/588690857.db2.gz NVHWJFXYEIYCIQ-UHFFFAOYSA-N 0 3 240.250 0.856 20 0 BCADHN COC(=O)N(C)CCN(C)CCn1cccn1 ZINC000852568766 588690961 /nfs/dbraw/zinc/69/09/61/588690961.db2.gz NZPQOUJATSEWAZ-UHFFFAOYSA-N 0 3 240.307 0.513 20 0 BCADHN COC(CN[C@H]1C[C@@H](O)C12CCC2)OC ZINC000852583581 588692050 /nfs/dbraw/zinc/69/20/50/588692050.db2.gz YNAVBVNQMXZERT-DTWKUNHWSA-N 0 3 215.293 0.498 20 0 BCADHN COC(CN[C@@H]1C[C@H](O)C12CCC2)OC ZINC000852583580 588692074 /nfs/dbraw/zinc/69/20/74/588692074.db2.gz YNAVBVNQMXZERT-BDAKNGLRSA-N 0 3 215.293 0.498 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)CC(OC)OC)C1 ZINC000852696045 588696118 /nfs/dbraw/zinc/69/61/18/588696118.db2.gz JAIRUOVPKFJXRM-DTORHVGOSA-N 0 3 231.292 0.489 20 0 BCADHN O=C1OCCN1C1CCN(CCCO)CC1 ZINC000852722949 588697999 /nfs/dbraw/zinc/69/79/99/588697999.db2.gz LNUORNLBXYGNNH-UHFFFAOYSA-N 0 3 228.292 0.285 20 0 BCADHN CC[C@@H](O)CN1CCC(N2CCOC2=O)CC1 ZINC000852720837 588698215 /nfs/dbraw/zinc/69/82/15/588698215.db2.gz WPIIYJMJMBOUDM-LLVKDONJSA-N 0 3 242.319 0.674 20 0 BCADHN CCN(CCc1ccccn1)C[C@@H]1CNCCO1 ZINC000852746937 588698986 /nfs/dbraw/zinc/69/89/86/588698986.db2.gz VFJUERYPPDEJIY-AWEZNQCLSA-N 0 3 249.358 0.934 20 0 BCADHN Cc1cc(CN2CCNC[C@@H]2C(F)F)ncn1 ZINC000852748690 588699611 /nfs/dbraw/zinc/69/96/11/588699611.db2.gz BAXXEDOWLQKHOY-SNVBAGLBSA-N 0 3 242.273 0.824 20 0 BCADHN O=C(NC[C@H]1CCCO1)[C@H]1NCC12CCCC2 ZINC000852772186 588701764 /nfs/dbraw/zinc/70/17/64/588701764.db2.gz KQAQRBXHDCVEJL-GHMZBOCLSA-N 0 3 238.331 0.814 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H]1NCC12CCOCC2 ZINC000852772504 588701792 /nfs/dbraw/zinc/70/17/92/588701792.db2.gz KZXVSXZQZDBORO-ZJUUUORDSA-N 0 3 226.320 0.670 20 0 BCADHN CCONC(=O)c1cn[n-]c1[C@H]1CC[NH2+]C1 ZINC000852778983 588701980 /nfs/dbraw/zinc/70/19/80/588701980.db2.gz ZJLVFFWAPDJKFT-ZETCQYMHSA-N 0 3 224.264 0.168 20 0 BCADHN CN(C(=O)C1=NO[C@@H](CN)C1)c1ccccc1 ZINC000852799088 588703937 /nfs/dbraw/zinc/70/39/37/588703937.db2.gz DATILBCIYONLTC-SNVBAGLBSA-N 0 3 233.271 0.753 20 0 BCADHN C[C@@H]1C[C@@H](C)CN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852798913 588704011 /nfs/dbraw/zinc/70/40/11/588704011.db2.gz CDYCDTLKIMOHNP-BBBLOLIVSA-N 0 3 239.319 0.595 20 0 BCADHN CN(C(=O)C1=NO[C@@H](CN)C1)C1CCCCC1 ZINC000852798906 588704075 /nfs/dbraw/zinc/70/40/75/588704075.db2.gz CDWZYXBEXRHDGX-SNVBAGLBSA-N 0 3 239.319 0.881 20 0 BCADHN NC[C@@H]1CC(C(=O)NC2CCCCCC2)=NO1 ZINC000852800931 588704422 /nfs/dbraw/zinc/70/44/22/588704422.db2.gz VKPQHOLDTQDGON-JTQLQIEISA-N 0 3 239.319 0.929 20 0 BCADHN CCC[C@H](C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852801599 588704549 /nfs/dbraw/zinc/70/45/49/588704549.db2.gz QYYNDALPRGIKPS-YUMQZZPRSA-N 0 3 213.281 0.395 20 0 BCADHN C[C@@H]1CCCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852801671 588704577 /nfs/dbraw/zinc/70/45/77/588704577.db2.gz UQOUCGWHJCHBDF-BDAKNGLRSA-N 0 3 225.292 0.491 20 0 BCADHN CN(CC(C)(C)C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852818312 588705367 /nfs/dbraw/zinc/70/53/67/588705367.db2.gz HRTGHAXRFAFYDB-MRVPVSSYSA-N 0 3 227.308 0.595 20 0 BCADHN CCC[C@H](C)N(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852816461 588705526 /nfs/dbraw/zinc/70/55/26/588705526.db2.gz VVYLHGVSMMXNNO-IUCAKERBSA-N 0 3 227.308 0.737 20 0 BCADHN C[C@@H](CNC(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000852820971 588705895 /nfs/dbraw/zinc/70/58/95/588705895.db2.gz GETQRVHOGWIXCB-CBAPKCEASA-N 0 3 225.292 0.252 20 0 BCADHN CCC1(CNC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852838000 588705904 /nfs/dbraw/zinc/70/59/04/588705904.db2.gz BUZWSUZTFHMUNA-QMMMGPOBSA-N 0 3 225.292 0.396 20 0 BCADHN CCCC(C)(C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852826993 588706187 /nfs/dbraw/zinc/70/61/87/588706187.db2.gz XUUISOIRVHRIRY-QMMMGPOBSA-N 0 3 227.308 0.785 20 0 BCADHN C[C@@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)[C@H]1C ZINC000852828469 588706212 /nfs/dbraw/zinc/70/62/12/588706212.db2.gz YCFBSFCOTBOQHP-KXUCPTDWSA-N 0 3 239.319 0.737 20 0 BCADHN O=C(NCCn1cncn1)C1(NC2CC2)CCC1 ZINC000852835859 588706819 /nfs/dbraw/zinc/70/68/19/588706819.db2.gz MKBFCBDPBHSXDB-UHFFFAOYSA-N 0 3 249.318 0.069 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852838060 588707106 /nfs/dbraw/zinc/70/71/06/588707106.db2.gz SYIDHYXLMSTIQQ-BDAKNGLRSA-N 0 3 227.308 0.595 20 0 BCADHN CC[C@H](C)CN(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852838061 588707195 /nfs/dbraw/zinc/70/71/95/588707195.db2.gz SYIDHYXLMSTIQQ-DTWKUNHWSA-N 0 3 227.308 0.595 20 0 BCADHN NC[C@@H]1CC(C(=O)NC[C@H]2CCCS2)=NO1 ZINC000852841780 588707314 /nfs/dbraw/zinc/70/73/14/588707314.db2.gz PNZODPJTXXOVDA-JGVFFNPUSA-N 0 3 243.332 0.102 20 0 BCADHN CC1CC(NC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852841121 588707316 /nfs/dbraw/zinc/70/73/16/588707316.db2.gz FHLSBJRHRQRBEQ-RRQHEKLDSA-N 0 3 211.265 0.005 20 0 BCADHN CC1CC(NC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852841119 588707380 /nfs/dbraw/zinc/70/73/80/588707380.db2.gz FHLSBJRHRQRBEQ-KAVNDROISA-N 0 3 211.265 0.005 20 0 BCADHN C[C@@H]1CC[C@H](C)N(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852842754 588707583 /nfs/dbraw/zinc/70/75/83/588707583.db2.gz HQGGSKFSYIEXEI-UTLUCORTSA-N 0 3 239.319 0.737 20 0 BCADHN C[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)C[C@H]1C ZINC000852843443 588707594 /nfs/dbraw/zinc/70/75/94/588707594.db2.gz XXFDKORSVIFZOA-HLTSFMKQSA-N 0 3 225.292 0.204 20 0 BCADHN COc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2N)cn1 ZINC000852844966 588707686 /nfs/dbraw/zinc/70/76/86/588707686.db2.gz PKFIPKCKOQWIGN-ZJUUUORDSA-N 0 3 235.287 0.396 20 0 BCADHN C[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)C[C@H]1C ZINC000852843445 588707720 /nfs/dbraw/zinc/70/77/20/588707720.db2.gz XXFDKORSVIFZOA-IWSPIJDZSA-N 0 3 225.292 0.204 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1C[C@H](O)c2ccccc21 ZINC000852854145 588708200 /nfs/dbraw/zinc/70/82/00/588708200.db2.gz DBYSCQIFYHVGMG-AXTRIDKLSA-N 0 3 234.299 0.889 20 0 BCADHN C[C@@H](NC(=O)C1=NO[C@H](CN)C1)c1ccccn1 ZINC000852854157 588708504 /nfs/dbraw/zinc/70/85/04/588708504.db2.gz DCTUPOZJUKDXTC-BDAKNGLRSA-N 0 3 248.286 0.362 20 0 BCADHN C[C@@H]1CCC[C@H](CNC(=O)[C@]2(F)CCNC2)O1 ZINC000852855125 588708539 /nfs/dbraw/zinc/70/85/39/588708539.db2.gz FLJKPQMBSCRMJC-FOGDFJRCSA-N 0 3 244.310 0.762 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000852855233 588708697 /nfs/dbraw/zinc/70/86/97/588708697.db2.gz XDQQNZXKTYHOPM-WHOHXGKFSA-N 0 3 232.283 0.628 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1C[C@H](O)c2ccccc21 ZINC000852856470 588708874 /nfs/dbraw/zinc/70/88/74/588708874.db2.gz QQIOLFHSNYEGNJ-ONOSFVFSSA-N 0 3 220.272 0.628 20 0 BCADHN CN(C(=O)C1=NO[C@H](CN)C1)[C@@H]1CCSC1 ZINC000852874160 588709044 /nfs/dbraw/zinc/70/90/44/588709044.db2.gz LTWNKCUAMIDJTA-SFYZADRCSA-N 0 3 243.332 0.054 20 0 BCADHN Cc1cncc(CCNC(=O)[C@@H](C)NC2CC2)n1 ZINC000852863732 588709199 /nfs/dbraw/zinc/70/91/99/588709199.db2.gz XWTNQRMTQSIYFV-SNVBAGLBSA-N 0 3 248.330 0.584 20 0 BCADHN C[C@H](NC(=O)C1=NO[C@@H](CN)C1)c1cccnc1 ZINC000852863256 588709214 /nfs/dbraw/zinc/70/92/14/588709214.db2.gz SPMQVYXULQDJPL-WCBMZHEXSA-N 0 3 248.286 0.362 20 0 BCADHN C[C@H](NN1C[C@@H](C)NC[C@H]1C)c1ncnn1C ZINC000852874073 588709709 /nfs/dbraw/zinc/70/97/09/588709709.db2.gz HRNHXQXTIJMCEH-BBBLOLIVSA-N 0 3 238.339 0.063 20 0 BCADHN Cn1cc([C@@H]2N(C(=O)[C@@H]3C[C@@H]3N)CC2(C)C)cn1 ZINC000852872723 588709775 /nfs/dbraw/zinc/70/97/75/588709775.db2.gz KUTWHVZTCAWDPR-VWYCJHECSA-N 0 3 248.330 0.677 20 0 BCADHN CCC(F)(F)C(=O)[N-]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000852880943 588711031 /nfs/dbraw/zinc/71/10/31/588711031.db2.gz GPBGXOCOIOSGSP-BQBZGAKWSA-N 0 3 224.226 0.848 20 0 BCADHN C[C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C[C@H]1C ZINC000852884260 588711144 /nfs/dbraw/zinc/71/11/44/588711144.db2.gz HRJRJJXALXZBFC-BBBLOLIVSA-N 0 3 239.319 0.595 20 0 BCADHN CC1(CCNC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852889202 588711392 /nfs/dbraw/zinc/71/13/92/588711392.db2.gz FURSBGOBRDUNLJ-MRVPVSSYSA-N 0 3 225.292 0.396 20 0 BCADHN NC[C@@H]1CC(C(=O)N[C@H]2CC=CCC2)=NO1 ZINC000852895116 588711403 /nfs/dbraw/zinc/71/14/03/588711403.db2.gz XJMYZZPSVWLSPZ-IUCAKERBSA-N 0 3 223.276 0.315 20 0 BCADHN C[C@H](CCC1CC1)NC(=O)C1=NO[C@H](CN)C1 ZINC000852887091 588711542 /nfs/dbraw/zinc/71/15/42/588711542.db2.gz FJEXYVADOKESIK-SCZZXKLOSA-N 0 3 239.319 0.785 20 0 BCADHN Cc1cnn(C)c1NC(=O)[C@@H](C)NC1CC1 ZINC000852902312 588711670 /nfs/dbraw/zinc/71/16/70/588711670.db2.gz LZCYEQJJJBJKTP-MRVPVSSYSA-N 0 3 222.292 0.808 20 0 BCADHN NC[C@H]1CC(C(=O)N[C@H]2CC=CCC2)=NO1 ZINC000852895115 588712025 /nfs/dbraw/zinc/71/20/25/588712025.db2.gz XJMYZZPSVWLSPZ-DTWKUNHWSA-N 0 3 223.276 0.315 20 0 BCADHN C[C@@H]1SCC[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852895692 588712150 /nfs/dbraw/zinc/71/21/50/588712150.db2.gz HEOCABWEXHIGJH-BIIVOSGPSA-N 0 3 243.332 0.100 20 0 BCADHN COC(=O)[C@]1(F)CCN(C(=O)CNC(C)C)C1 ZINC000852897397 588712398 /nfs/dbraw/zinc/71/23/98/588712398.db2.gz KHWXUYVCNZLGSN-NSHDSACASA-N 0 3 246.282 0.098 20 0 BCADHN CCNCC(=O)NCc1ccoc1C(=O)OC ZINC000852911276 588712761 /nfs/dbraw/zinc/71/27/61/588712761.db2.gz QUOXOWRIAMVTLH-UHFFFAOYSA-N 0 3 240.259 0.292 20 0 BCADHN CCNCC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000852914885 588713221 /nfs/dbraw/zinc/71/32/21/588713221.db2.gz JXFPJCDCNCXQMQ-GFCCVEGCSA-N 0 3 226.320 0.625 20 0 BCADHN CC(C)(F)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000852919032 588713427 /nfs/dbraw/zinc/71/34/27/588713427.db2.gz ODKIFPBGRANFFQ-RNFRBKRXSA-N 0 3 206.236 0.632 20 0 BCADHN C[NH2+]C[C@H](C)NC(=O)c1ccc(N)cc1[O-] ZINC000852924115 588713594 /nfs/dbraw/zinc/71/35/94/588713594.db2.gz MUCZXCQKZWGVJJ-ZETCQYMHSA-N 0 3 223.276 0.312 20 0 BCADHN COCCN1CCC[C@H]1COC(=O)[C@@H](C)OC ZINC000861034150 589139694 /nfs/dbraw/zinc/13/96/94/589139694.db2.gz JGUAXFFXJGRQJM-MNOVXSKESA-N 0 3 245.319 0.675 20 0 BCADHN Cc1conc1COC(=O)C1CCN(C)C1=O ZINC000861197229 589149696 /nfs/dbraw/zinc/14/96/96/589149696.db2.gz BUEBZZPUZBWTGF-QMMMGPOBSA-N 0 3 238.243 0.505 20 0 BCADHN CCOCC(=O)OC[C@@]1(C)C[C@H](OC)CN1C ZINC000861338751 589161292 /nfs/dbraw/zinc/16/12/92/589161292.db2.gz DMQAHXABYAGIMW-CMPLNLGQSA-N 0 3 245.319 0.675 20 0 BCADHN c1cc(-c2nc(N3CCNCC3)no2)ccn1 ZINC000118421794 589172844 /nfs/dbraw/zinc/17/28/44/589172844.db2.gz NCSMZWZLHACCQW-UHFFFAOYSA-N 0 3 231.259 0.541 20 0 BCADHN C/C=C(\C)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861710198 589175500 /nfs/dbraw/zinc/17/55/00/589175500.db2.gz AMKNQFMTNPYJAB-WHKYXBHASA-N 0 3 238.331 0.620 20 0 BCADHN C/C=C(\C)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861710196 589175612 /nfs/dbraw/zinc/17/56/12/589175612.db2.gz AMKNQFMTNPYJAB-HQCZBSGJSA-N 0 3 238.331 0.620 20 0 BCADHN CCCN1CCC(NC(=S)NC)CC1 ZINC000013783981 589179011 /nfs/dbraw/zinc/17/90/11/589179011.db2.gz SCRQFEPTLAFNMO-UHFFFAOYSA-N 0 3 215.366 0.955 20 0 BCADHN CN1CCC(CC(=O)NC[C@H]2COCO2)CC1 ZINC000861975871 589187693 /nfs/dbraw/zinc/18/76/93/589187693.db2.gz UWULDCVOOQMNMF-NSHDSACASA-N 0 3 242.319 0.207 20 0 BCADHN CCN1CC[C@@H](NC(=O)Cn2nccc2C)C1 ZINC000862000172 589190083 /nfs/dbraw/zinc/19/00/83/589190083.db2.gz JYKNSZGNBWBPGI-LLVKDONJSA-N 0 3 236.319 0.402 20 0 BCADHN CN(C[C@H]1CCC=CO1)[C@]1(CO)CCOC1 ZINC000862427423 589212230 /nfs/dbraw/zinc/21/22/30/589212230.db2.gz YIGMNVJZEQIQCY-NEPJUHHUSA-N 0 3 227.304 0.762 20 0 BCADHN CCON(CC)C(=O)CNC[C@@H](C)COC ZINC000862452781 589215197 /nfs/dbraw/zinc/21/51/97/589215197.db2.gz OEPOKBMIIDLYSD-SNVBAGLBSA-N 0 3 232.324 0.659 20 0 BCADHN CCON(CC)C(=O)CNC[C@H](C)COC ZINC000862452780 589215212 /nfs/dbraw/zinc/21/52/12/589215212.db2.gz OEPOKBMIIDLYSD-JTQLQIEISA-N 0 3 232.324 0.659 20 0 BCADHN CCON(CC)C(=O)CN[C@H]1CCCOCC1 ZINC000862451359 589215308 /nfs/dbraw/zinc/21/53/08/589215308.db2.gz AZBNLHKBQLFYRH-NSHDSACASA-N 0 3 244.335 0.945 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@H](O)c1ccccn1 ZINC000862725999 589236650 /nfs/dbraw/zinc/23/66/50/589236650.db2.gz XZFSAZRLZIKHCC-ZYHUDNBSSA-N 0 3 249.314 0.325 20 0 BCADHN O=C(Nn1cccn1)C1CCN(C2CC2)CC1 ZINC000862767484 589238942 /nfs/dbraw/zinc/23/89/42/589238942.db2.gz FIVBUOOCCJTQIQ-UHFFFAOYSA-N 0 3 234.303 0.828 20 0 BCADHN CN(C)CCCCC(=O)N[C@H]1COCCC1=O ZINC000862934073 589247256 /nfs/dbraw/zinc/24/72/56/589247256.db2.gz NDPGRLUNRCCWGL-JTQLQIEISA-N 0 3 242.319 0.193 20 0 BCADHN CCCCC[C@H](NC(=O)CN)C(=O)OC ZINC000119248226 589253850 /nfs/dbraw/zinc/25/38/50/589253850.db2.gz CSTDRAGCYAFNFF-QMMMGPOBSA-N 0 3 216.281 0.183 20 0 BCADHN CS[C@@H]1CC[C@H](NC(=O)[C@H](C)N)C1 ZINC000119350934 589272700 /nfs/dbraw/zinc/27/27/00/589272700.db2.gz PCZFERZCXDYWQN-BIIVOSGPSA-N 0 3 202.323 0.734 20 0 BCADHN CO[C@H]1C[C@H](NC(=S)NCCN(C)C)C1 ZINC000863246488 589274417 /nfs/dbraw/zinc/27/44/17/589274417.db2.gz INIWQGKBQNSBPP-KYZUINATSA-N 0 3 231.365 0.190 20 0 BCADHN FC(F)[C@H]1CNCCN1CC1=CCCOC1 ZINC000863641943 589306339 /nfs/dbraw/zinc/30/63/39/589306339.db2.gz NBRGKJNTCIAVNO-SNVBAGLBSA-N 0 3 232.274 0.872 20 0 BCADHN C1C2CC1(c1nc(N3CCNCC3)no1)C2 ZINC000863677631 589310515 /nfs/dbraw/zinc/31/05/15/589310515.db2.gz WCCKIRDQVWZNMU-UHFFFAOYSA-N 0 3 220.276 0.531 20 0 BCADHN c1cc2ncc(-c3cnn4c3CNCC4)cn2n1 ZINC000863724742 589313079 /nfs/dbraw/zinc/31/30/79/589313079.db2.gz WPUHSSWFFQFRKN-UHFFFAOYSA-N 0 3 240.270 0.696 20 0 BCADHN CS/C=C/C(=O)NCCN1CC[C@H](O)C1 ZINC000863832558 589321888 /nfs/dbraw/zinc/32/18/88/589321888.db2.gz ZUVXUGDYXNZBEF-HMVTZJNGSA-N 0 3 230.333 0.046 20 0 BCADHN CC(C)(C)/C=C\C(=O)NCCN1CC[C@H](O)C1 ZINC000863831857 589322178 /nfs/dbraw/zinc/32/21/78/589322178.db2.gz OZJCOCBRPDXKMH-QZPNVGJNSA-N 0 3 240.347 0.772 20 0 BCADHN CN(C[C@H](O)C[C@@](C)(O)C1CC1)C1CC1 ZINC000863968326 589328228 /nfs/dbraw/zinc/32/82/28/589328228.db2.gz HPSFHYOKAPKBSO-VXGBXAGGSA-N 0 3 213.321 0.993 20 0 BCADHN CN(C[C@H](O)CC1(O)CCOCC1)C1CC1 ZINC000863968652 589329620 /nfs/dbraw/zinc/32/96/20/589329620.db2.gz LMYYZTBBTMWVTC-LLVKDONJSA-N 0 3 229.320 0.373 20 0 BCADHN O[C@@H](CNCc1c[nH]cn1)[C@H]1CCCO1 ZINC000864049962 589334792 /nfs/dbraw/zinc/33/47/92/589334792.db2.gz PKYYCEXMCQLNLR-VHSXEESVSA-N 0 3 211.265 0.039 20 0 BCADHN O[C@@H](CNCc1cnc[nH]1)[C@H]1CCCO1 ZINC000864049962 589334794 /nfs/dbraw/zinc/33/47/94/589334794.db2.gz PKYYCEXMCQLNLR-VHSXEESVSA-N 0 3 211.265 0.039 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NCc1ccc(CO)cc1 ZINC000864053635 589335846 /nfs/dbraw/zinc/33/58/46/589335846.db2.gz XSKQIVUHKNWBCD-GFCCVEGCSA-N 0 3 248.326 0.793 20 0 BCADHN C/C(Cl)=C\C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000864059686 589336409 /nfs/dbraw/zinc/33/64/09/589336409.db2.gz ODTCJWKMSIHONU-GNKRQNHBSA-N 0 3 244.722 0.406 20 0 BCADHN C/C=C\[C@H](O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000864067851 589338385 /nfs/dbraw/zinc/33/83/85/589338385.db2.gz KYWDJYATENMNHS-OBOPVNRVSA-N 0 3 240.347 0.912 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000864085223 589341921 /nfs/dbraw/zinc/34/19/21/589341921.db2.gz SYRUNMDPBMMFKQ-JCMPJRQWSA-N 0 3 238.331 0.524 20 0 BCADHN CO[C@@H](CNC(=O)C(C)(C)N)C(C)(C)C ZINC000119933806 589348526 /nfs/dbraw/zinc/34/85/26/589348526.db2.gz FQAHBGHZFWFCFN-QMMMGPOBSA-N 0 3 216.325 0.901 20 0 BCADHN CN1CCC(NC(=O)NCC2CSC2)CC1 ZINC000864265758 589352307 /nfs/dbraw/zinc/35/23/07/589352307.db2.gz SINHLIHAONTKHE-UHFFFAOYSA-N 0 3 243.376 0.743 20 0 BCADHN CCN1CCC(NC(=O)/C=C\COC)CC1 ZINC000864610779 589383543 /nfs/dbraw/zinc/38/35/43/589383543.db2.gz TWLSIBLXTTUDKO-PLNGDYQASA-N 0 3 226.320 0.790 20 0 BCADHN COC[C@H](N)Cc1cn(C[Si](C)(C)C)nn1 ZINC000864621412 589384572 /nfs/dbraw/zinc/38/45/72/589384572.db2.gz KAIUKBVYHXQOMC-SECBINFHSA-N 0 3 242.399 0.672 20 0 BCADHN CN(C)CCn1cc([C@@H]2CCCC[C@H]2O)nn1 ZINC000864623569 589384948 /nfs/dbraw/zinc/38/49/48/589384948.db2.gz WUOGRNCCIDRFEF-CMPLNLGQSA-N 0 3 238.335 0.858 20 0 BCADHN CC(C)(C)[C@H](N)c1cn([C@@H]2CCOC2=O)nn1 ZINC000864641106 589386805 /nfs/dbraw/zinc/38/68/05/589386805.db2.gz ROYUBGWSAGGUED-RKDXNWHRSA-N 0 3 238.291 0.812 20 0 BCADHN CC(C)(C)[C@@H](N)c1cn([C@H]2CCOC2=O)nn1 ZINC000864641105 589387074 /nfs/dbraw/zinc/38/70/74/589387074.db2.gz ROYUBGWSAGGUED-IUCAKERBSA-N 0 3 238.291 0.812 20 0 BCADHN CCCC(=O)c1cn(C[C@H]2CNCCO2)nn1 ZINC000864651355 589388238 /nfs/dbraw/zinc/38/82/38/589388238.db2.gz YTSLTEAIJPKWNE-SECBINFHSA-N 0 3 238.291 0.249 20 0 BCADHN CC(C)(O)Cc1cn(CCN2CCCC2)nn1 ZINC000864653746 589388300 /nfs/dbraw/zinc/38/83/00/589388300.db2.gz XKJFNRZBPOBQRN-UHFFFAOYSA-N 0 3 238.335 0.687 20 0 BCADHN O=C1OCC[C@@H]1CCN1CCC(CO)CC1 ZINC000120170397 589389158 /nfs/dbraw/zinc/38/91/58/589389158.db2.gz NGTHZMWNBGPNSH-NSHDSACASA-N 0 3 227.304 0.644 20 0 BCADHN O=C1OCC[C@H]1CCN1CCC(CO)CC1 ZINC000120170244 589389164 /nfs/dbraw/zinc/38/91/64/589389164.db2.gz NGTHZMWNBGPNSH-LLVKDONJSA-N 0 3 227.304 0.644 20 0 BCADHN CN(CCN1CCCC1)C(=O)[C@H]1CCC(=O)O1 ZINC000865160239 589411826 /nfs/dbraw/zinc/41/18/26/589411826.db2.gz ZFCXVPGDFDXORL-SNVBAGLBSA-N 0 3 240.303 0.246 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1CCCC1CC1 ZINC000865367261 589427073 /nfs/dbraw/zinc/42/70/73/589427073.db2.gz SSEMODZDANUJIR-MRVPVSSYSA-N 0 3 246.332 0.584 20 0 BCADHN Cn1ncc2cc(CN[C@H]3CCOC3)cnc21 ZINC000865509647 589442160 /nfs/dbraw/zinc/44/21/60/589442160.db2.gz ZOMVSUWTEPOJJZ-NSHDSACASA-N 0 3 232.287 0.847 20 0 BCADHN COC/C=C/C(=O)N[C@H]1CCN(CCOC)C1 ZINC000865584300 589449322 /nfs/dbraw/zinc/44/93/22/589449322.db2.gz OPMAUEFUAMSTRH-UFFNRZRYSA-N 0 3 242.319 0.026 20 0 BCADHN CC(C)(O)CN1CC[C@H](NCc2cc[nH]n2)C1 ZINC000865656310 589454708 /nfs/dbraw/zinc/45/47/08/589454708.db2.gz UMUYTQLJGHCDGE-NSHDSACASA-N 0 3 238.335 0.345 20 0 BCADHN Cc1ccc(CNCC[C@H](O)C(F)F)nn1 ZINC000865687679 589456167 /nfs/dbraw/zinc/45/61/67/589456167.db2.gz KIKOUBQYYPDGJL-VIFPVBQESA-N 0 3 231.246 0.891 20 0 BCADHN COC/C=C/C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000865711494 589458017 /nfs/dbraw/zinc/45/80/17/589458017.db2.gz LYUKVIXQARJGHJ-PCAWENJQSA-N 0 3 238.331 0.742 20 0 BCADHN COC/C=C\C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000865718442 589458196 /nfs/dbraw/zinc/45/81/96/589458196.db2.gz ZKPKZZASIJQPSH-MVZIDQBPSA-N 0 3 238.331 0.884 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1c(C2CC2)cnn1C ZINC000865739323 589459788 /nfs/dbraw/zinc/45/97/88/589459788.db2.gz UPDSNUKFLMZURI-UFBFGSQYSA-N 0 3 239.319 0.129 20 0 BCADHN CCOc1cncc(CNC[C@H](O)[C@@H](C)O)c1 ZINC000865739114 589459933 /nfs/dbraw/zinc/45/99/33/589459933.db2.gz RYGRWZLCPQVMRO-SKDRFNHKSA-N 0 3 240.303 0.312 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1ccc2c[nH]nc2c1 ZINC000865740613 589460176 /nfs/dbraw/zinc/46/01/76/589460176.db2.gz IZCRAAOFHGPXTH-UFBFGSQYSA-N 0 3 235.287 0.394 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1scnc1C1CC1 ZINC000865739532 589460218 /nfs/dbraw/zinc/46/02/18/589460218.db2.gz RIFNTZPZGCXMLQ-APPZFPTMSA-N 0 3 242.344 0.852 20 0 BCADHN CN1CCn2nc(NCc3cc[nH]n3)cc2C1 ZINC000865844334 589464602 /nfs/dbraw/zinc/46/46/02/589464602.db2.gz JLICRIBOYMOKTP-UHFFFAOYSA-N 0 3 232.291 0.664 20 0 BCADHN Cn1ccc(CNc2cc3n(n2)CCN(C)C3)n1 ZINC000865844277 589464696 /nfs/dbraw/zinc/46/46/96/589464696.db2.gz HRXNJJNKKFQHAF-UHFFFAOYSA-N 0 3 246.318 0.674 20 0 BCADHN CC[C@H](C[C@@H](C)O)NCc1cnnn1CC ZINC000865873849 589466511 /nfs/dbraw/zinc/46/65/11/589466511.db2.gz KTBKHPYJYLNEGQ-NXEZZACHSA-N 0 3 226.324 0.937 20 0 BCADHN COC/C=C\C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000865894421 589467624 /nfs/dbraw/zinc/46/76/24/589467624.db2.gz MQJZHKYAJBCXMN-SMYYYNMVSA-N 0 3 240.347 0.989 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2nccc(N)n2)C1 ZINC000865925728 589468661 /nfs/dbraw/zinc/46/86/61/589468661.db2.gz NOZFUUFRRZHMCD-SECBINFHSA-N 0 3 249.318 0.055 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Nc3ccncn3)[C@@H]2C1 ZINC000866000180 589472100 /nfs/dbraw/zinc/47/21/00/589472100.db2.gz AXCRTAKTPIMRQJ-NXEZZACHSA-N 0 3 247.302 0.644 20 0 BCADHN COC/C=C\C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000866070429 589474868 /nfs/dbraw/zinc/47/48/68/589474868.db2.gz BMVREHRCNNCPQN-NRFYAWERSA-N 0 3 226.320 0.788 20 0 BCADHN COC/C=C/C(=O)N(C)CCN(C)C ZINC000866309274 589485795 /nfs/dbraw/zinc/48/57/95/589485795.db2.gz FAENHMVBIONSRP-AATRIKPKSA-N 0 3 200.282 0.209 20 0 BCADHN COC[C@@H](C)OC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000866596507 589502572 /nfs/dbraw/zinc/50/25/72/589502572.db2.gz GMNSCZSBPYUYTQ-ZJUUUORDSA-N 0 3 242.319 0.984 20 0 BCADHN Nc1cccc(CN2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000866702617 589513629 /nfs/dbraw/zinc/51/36/29/589513629.db2.gz DBWQFCNNVAIUMM-NEPJUHHUSA-N 0 3 222.288 0.196 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]C[C@H]2C[C@H]([NH3+])C2)o1 ZINC000866808107 589519056 /nfs/dbraw/zinc/51/90/56/589519056.db2.gz ZNSCMKBBCDZCTF-KYZUINATSA-N 0 3 244.316 0.604 20 0 BCADHN CNCC(=O)NC[C@H]1CCC12CCOCC2 ZINC000867993683 589542671 /nfs/dbraw/zinc/54/26/71/589542671.db2.gz ZJWRXFANPKFLSK-SNVBAGLBSA-N 0 3 226.320 0.529 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC12CCOCC2 ZINC000867992417 589542744 /nfs/dbraw/zinc/54/27/44/589542744.db2.gz DURDVNKFJDUIML-GARJFASQSA-N 0 3 238.331 0.657 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC000867997377 589543089 /nfs/dbraw/zinc/54/30/89/589543089.db2.gz VGLUFIZOTMQSMM-BDAKNGLRSA-N 0 3 248.282 0.484 20 0 BCADHN CN1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@@H]1N ZINC000867998760 589543130 /nfs/dbraw/zinc/54/31/30/589543130.db2.gz GOBLJOFQSQAMSI-FRRDWIJNSA-N 0 3 245.326 0.637 20 0 BCADHN CNCC(=O)NC[C@H]1CC(=O)c2ccccc2O1 ZINC000867997600 589543222 /nfs/dbraw/zinc/54/32/22/589543222.db2.gz XTRMOKLLJCZSIL-SECBINFHSA-N 0 3 248.282 0.356 20 0 BCADHN CC1(C)CN[C@H]1C(=O)Nc1ccn(CCF)n1 ZINC000868027230 589544937 /nfs/dbraw/zinc/54/49/37/589544937.db2.gz VQQWBICUDQFQPU-VIFPVBQESA-N 0 3 240.282 0.789 20 0 BCADHN CCNCC(=O)Nc1ccn(CCF)n1 ZINC000868027170 589545097 /nfs/dbraw/zinc/54/50/97/589545097.db2.gz UZJKXUDEIFUMPF-UHFFFAOYSA-N 0 3 214.244 0.401 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCn2nccc21 ZINC000868053611 589547315 /nfs/dbraw/zinc/54/73/15/589547315.db2.gz NTIAEOXGKXCPMT-DJLDLDEBSA-N 0 3 220.276 0.181 20 0 BCADHN CCN(CC1CC1)CN1CC(=O)N(CC)C1=O ZINC000122288051 589576463 /nfs/dbraw/zinc/57/64/63/589576463.db2.gz IVWRRJKLYCQKQT-UHFFFAOYSA-N 0 3 239.319 0.960 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1noc(C)n1 ZINC000122466300 589592636 /nfs/dbraw/zinc/59/26/36/589592636.db2.gz CPGLVHRDEXTCMQ-VIFPVBQESA-N 0 3 238.291 0.592 20 0 BCADHN Cc1nccnc1COC(=O)C1CCN(C)C1=O ZINC000869477110 589608177 /nfs/dbraw/zinc/60/81/77/589608177.db2.gz VDLPZOBHBIGQPE-SECBINFHSA-N 0 3 249.270 0.307 20 0 BCADHN CC(C)(O)CN1CC[C@H](NC(=O)C2(C)CC2)C1 ZINC000869780427 589629731 /nfs/dbraw/zinc/62/97/31/589629731.db2.gz UMYGZSRSCISRKF-JTQLQIEISA-N 0 3 240.347 0.748 20 0 BCADHN COCCNC(=S)NC[C@H]1CCCN(C)C1 ZINC000122981234 589647417 /nfs/dbraw/zinc/64/74/17/589647417.db2.gz ZPXCQJUOXLCWPA-SNVBAGLBSA-N 0 3 245.392 0.439 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)[C@H]1CCC(=O)O1 ZINC000870544013 589673237 /nfs/dbraw/zinc/67/32/37/589673237.db2.gz AJPWKCCAVCWQPI-DTWKUNHWSA-N 0 3 229.276 0.575 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)c1ccn(C)n1 ZINC000870549290 589673839 /nfs/dbraw/zinc/67/38/39/589673839.db2.gz ZQTIZDMQSGMPKU-VIFPVBQESA-N 0 3 225.292 0.917 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)c1cnnn1CC ZINC000870549077 589673871 /nfs/dbraw/zinc/67/38/71/589673871.db2.gz XLIQEZCGPPHZLE-SECBINFHSA-N 0 3 240.307 0.795 20 0 BCADHN CCC(=O)N[C@H](C)C(=O)O[C@@H](CC)CN(C)C ZINC000870555186 589675477 /nfs/dbraw/zinc/67/54/77/589675477.db2.gz SCFKQKLPNVCMGU-ZJUUUORDSA-N 0 3 244.335 0.785 20 0 BCADHN CC(C)[C@@H](CN(C)C)OC(=O)c1cnn(C)n1 ZINC000870566708 589676161 /nfs/dbraw/zinc/67/61/61/589676161.db2.gz HRIHJVJRVLGOPO-SNVBAGLBSA-N 0 3 240.307 0.558 20 0 BCADHN CNCC(=O)N1CC[C@H]2CSC[C@H]2C1 ZINC000870981742 589704697 /nfs/dbraw/zinc/70/46/97/589704697.db2.gz JSDQLZPIEXHVJI-DTWKUNHWSA-N 0 3 214.334 0.417 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000870980708 589704863 /nfs/dbraw/zinc/70/48/63/589704863.db2.gz AYLPQEZITYCUKC-UTLUCORTSA-N 0 3 228.361 0.935 20 0 BCADHN CC(C)NCC(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000870982524 589705322 /nfs/dbraw/zinc/70/53/22/589705322.db2.gz IRQZZSKHJZNBGB-JTQLQIEISA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccn(CCF)n1 ZINC000871010525 589710761 /nfs/dbraw/zinc/71/07/61/589710761.db2.gz DBDXLVYDVQGVJQ-ZETCQYMHSA-N 0 3 214.244 0.528 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)c1ccnn1C ZINC000871011323 589711308 /nfs/dbraw/zinc/71/13/08/589711308.db2.gz QZCKLPBNHGGAPQ-JGVFFNPUSA-N 0 3 210.281 0.335 20 0 BCADHN Cn1ccnc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000871763878 589809654 /nfs/dbraw/zinc/80/96/54/589809654.db2.gz APTQVWLMSKZCKQ-GHMZBOCLSA-N 0 3 248.330 0.729 20 0 BCADHN Cn1cc(CNC[C@H](O)CC(C)(C)O)cn1 ZINC000871976176 589850729 /nfs/dbraw/zinc/85/07/29/589850729.db2.gz FTSOVQHVKPPXMZ-SNVBAGLBSA-N 0 3 227.308 0.032 20 0 BCADHN COC(=O)[C@H]1CCN(C[C@H](O)CC(C)(C)O)C1 ZINC000871974458 589850926 /nfs/dbraw/zinc/85/09/26/589850926.db2.gz GAWKTNNWYUMOEG-VHSXEESVSA-N 0 3 245.319 0.003 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1CC2(C1)CCOCC2 ZINC000871980072 589852307 /nfs/dbraw/zinc/85/23/07/589852307.db2.gz QGDSYLKRLCWVFT-LLVKDONJSA-N 0 3 243.347 0.621 20 0 BCADHN Cn1nccc1CCN1CCNC[C@@H]1C(F)F ZINC000872142946 589882945 /nfs/dbraw/zinc/88/29/45/589882945.db2.gz HTJRFGFMYPAKNH-SNVBAGLBSA-N 0 3 244.289 0.502 20 0 BCADHN C(CN1CCN(C2CC2)CC1)C1OCCO1 ZINC000123965638 589887479 /nfs/dbraw/zinc/88/74/79/589887479.db2.gz NFTFVDVYSZOBLS-UHFFFAOYSA-N 0 3 226.320 0.529 20 0 BCADHN CC(C)(O)C[C@H](O)CNCc1ccoc1 ZINC000872198776 589889727 /nfs/dbraw/zinc/88/97/27/589889727.db2.gz AVBISAXPSKVSSE-JTQLQIEISA-N 0 3 213.277 0.891 20 0 BCADHN C[C@@H](NC[C@@H](O)CC(C)(C)O)c1cnn(C)c1 ZINC000872204511 589891497 /nfs/dbraw/zinc/89/14/97/589891497.db2.gz VLLWICIFGIWWNK-KOLCDFICSA-N 0 3 241.335 0.593 20 0 BCADHN C[C@H](NC[C@@H](O)CC(C)(C)O)c1cn[nH]c1 ZINC000872205061 589891589 /nfs/dbraw/zinc/89/15/89/589891589.db2.gz PDYUEDIIBXWBIJ-WPRPVWTQSA-N 0 3 227.308 0.582 20 0 BCADHN Cc1c(CNC[C@H](O)CC(C)(C)O)cnn1C ZINC000872205158 589891674 /nfs/dbraw/zinc/89/16/74/589891674.db2.gz UMNRGHPMIVBIFS-LLVKDONJSA-N 0 3 241.335 0.340 20 0 BCADHN CCn1cc(CNC[C@@H](O)CC(C)(C)O)cn1 ZINC000872207866 589892858 /nfs/dbraw/zinc/89/28/58/589892858.db2.gz GTVODRREWNDBFW-NSHDSACASA-N 0 3 241.335 0.515 20 0 BCADHN Cc1ccccc1[C@H](O)CN[C@@H]1COC[C@@H]1O ZINC000872218572 589895993 /nfs/dbraw/zinc/89/59/93/589895993.db2.gz PVLTWAJJXVSZNW-UPJWGTAASA-N 0 3 237.299 0.378 20 0 BCADHN COC[C@@H](C)NC(=O)c1cccc(CN)c1 ZINC000019392759 589897874 /nfs/dbraw/zinc/89/78/74/589897874.db2.gz DFXFYFBDFJGCQB-SECBINFHSA-N 0 3 222.288 0.910 20 0 BCADHN CON(C)C(=O)CCN[C@@H](C)c1ccnn1C ZINC000872237799 589898813 /nfs/dbraw/zinc/89/88/13/589898813.db2.gz ATRSRHLOHYQENK-VIFPVBQESA-N 0 3 240.307 0.481 20 0 BCADHN CC[C@H](C[C@H](C)O)NC[C@H](C)S(C)(=O)=O ZINC000872240930 589899551 /nfs/dbraw/zinc/89/95/51/589899551.db2.gz KCHVAEIPVHDVOR-LPEHRKFASA-N 0 3 237.365 0.559 20 0 BCADHN CC[S@](=O)CCNc1cc(C)nc(N)n1 ZINC000124001915 589900975 /nfs/dbraw/zinc/90/09/75/589900975.db2.gz HTBRLAUBSFUMFL-OAHLLOKOSA-N 0 3 228.321 0.548 20 0 BCADHN CCN1CCNC(=O)CC12CCOCC2 ZINC000872288708 589906311 /nfs/dbraw/zinc/90/63/11/589906311.db2.gz FUFZWNRPFSAQCO-UHFFFAOYSA-N 0 3 212.293 0.377 20 0 BCADHN CC1(C)CCNCCN1C(=O)Cc1ccon1 ZINC000872297051 589907247 /nfs/dbraw/zinc/90/72/47/589907247.db2.gz FSJLSMCJSKFYRD-UHFFFAOYSA-N 0 3 237.303 0.818 20 0 BCADHN CC1(C)CCNCCN1C(=O)[C@H]1CCC(=O)O1 ZINC000872301074 589908332 /nfs/dbraw/zinc/90/83/32/589908332.db2.gz QLQQMHBOTATCMI-SECBINFHSA-N 0 3 240.303 0.293 20 0 BCADHN COCCNCC(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872307723 589908721 /nfs/dbraw/zinc/90/87/21/589908721.db2.gz HFISCUPNJBKGBM-PWSUYJOCSA-N 0 3 242.319 0.050 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872308851 589908840 /nfs/dbraw/zinc/90/88/40/589908840.db2.gz KBYJFMVEEGRKIC-UMNHJUIQSA-N 0 3 226.320 0.812 20 0 BCADHN COC(=O)[C@](C)(O)CN[C@]12CCC[C@H]1OCC2 ZINC000872316326 589910674 /nfs/dbraw/zinc/91/06/74/589910674.db2.gz KQPAGRZKXSQGAT-JLLWLGSASA-N 0 3 243.303 0.212 20 0 BCADHN C[C@H](CO)CN1CCN(C)c2ncccc2C1 ZINC000872318263 589911272 /nfs/dbraw/zinc/91/12/72/589911272.db2.gz OZFSWLOMIMWXTD-NSHDSACASA-N 0 3 235.331 0.962 20 0 BCADHN O[C@H](CN1C[C@@H]2COC[C@@H]2C1)c1ccccn1 ZINC000872320345 589911537 /nfs/dbraw/zinc/91/15/37/589911537.db2.gz ROXOPKRMXRWQCI-NTZNESFSSA-N 0 3 234.299 0.693 20 0 BCADHN Cc1cc(=O)[n-]c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)n1 ZINC000872320293 589911675 /nfs/dbraw/zinc/91/16/75/589911675.db2.gz QBKPNVXAFJAQOA-AOOOYVTPSA-N 0 3 235.287 0.569 20 0 BCADHN Cc1cc(=O)[n-]c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)n1 ZINC000872320293 589911676 /nfs/dbraw/zinc/91/16/76/589911676.db2.gz QBKPNVXAFJAQOA-AOOOYVTPSA-N 0 3 235.287 0.569 20 0 BCADHN CN(C)C[C@@H](CO)Nc1cc(Cl)n[nH]c1=O ZINC000872548646 589949253 /nfs/dbraw/zinc/94/92/53/589949253.db2.gz YBPCJTRNUTXOHE-LURJTMIESA-N 0 3 246.698 0.170 20 0 BCADHN COC(=O)[C@@]1(C)CN(Cn2cnnc2)C[C@@H]1C ZINC000872635632 589958292 /nfs/dbraw/zinc/95/82/92/589958292.db2.gz VQBDGXTYRIILCP-ONGXEEELSA-N 0 3 238.291 0.367 20 0 BCADHN c1nncn1CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000872722844 589964899 /nfs/dbraw/zinc/96/48/99/589964899.db2.gz VLSNRYUEIRIWGC-ZJUUUORDSA-N 0 3 224.333 0.921 20 0 BCADHN C[C@@]1(F)CNCCN(c2cc(F)ncn2)C1 ZINC000872777244 589968110 /nfs/dbraw/zinc/96/81/10/589968110.db2.gz WMKRMCNTTZQDFT-SNVBAGLBSA-N 0 3 228.246 0.754 20 0 BCADHN Cn1ncnc1N1CC[C@@H]2[C@H]1CCCN2C ZINC000872778333 589968936 /nfs/dbraw/zinc/96/89/36/589968936.db2.gz GUUXCGWDHRVCDC-NXEZZACHSA-N 0 3 221.308 0.488 20 0 BCADHN CCc1cc(CN[C@H]2CCNC(=O)CC2)[nH]n1 ZINC000873050424 589981090 /nfs/dbraw/zinc/98/10/90/589981090.db2.gz WCOIMSBJSSLBGZ-SNVBAGLBSA-N 0 3 236.319 0.730 20 0 BCADHN C[C@@H](CN1CCN(C)CC1)NCc1ccon1 ZINC000873046733 589981627 /nfs/dbraw/zinc/98/16/27/589981627.db2.gz PDBAXTUEHCWSJP-NSHDSACASA-N 0 3 238.335 0.400 20 0 BCADHN CC[C@@H]1COCCN1CCNCc1cn[nH]c1 ZINC000873189064 589991299 /nfs/dbraw/zinc/99/12/99/589991299.db2.gz NEAGASSVOSJHGF-GFCCVEGCSA-N 0 3 238.335 0.610 20 0 BCADHN NC(=O)C[C@H]1CCCCN1Cc1cnc(N)cn1 ZINC000873204667 589993978 /nfs/dbraw/zinc/99/39/78/589993978.db2.gz GSPJYWCMFDNDKM-SNVBAGLBSA-N 0 3 249.318 0.289 20 0 BCADHN C[C@]1(CNCc2cnc(N)cn2)CCCO1 ZINC000873210837 589994921 /nfs/dbraw/zinc/99/49/21/589994921.db2.gz DDVZOCRFLGMBDJ-LLVKDONJSA-N 0 3 222.292 0.718 20 0 BCADHN Nc1cnc(CN[C@@H]2CNCCC2(F)F)cn1 ZINC000873212131 589996696 /nfs/dbraw/zinc/99/66/96/589996696.db2.gz HOOXEEQCHTZFSJ-MRVPVSSYSA-N 0 3 243.261 0.146 20 0 BCADHN Nc1cnc(CN[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cn1 ZINC000873217412 589997916 /nfs/dbraw/zinc/99/79/16/589997916.db2.gz LWFRBOWXVYFHMI-RSOVMYGHSA-N 0 3 246.314 0.572 20 0 BCADHN COCC1(N(C)C(=O)[C@@H](N)C(C)C)CCC1 ZINC000873298478 590025347 /nfs/dbraw/zinc/02/53/47/590025347.db2.gz KKSYVHLTLLJFSS-JTQLQIEISA-N 0 3 228.336 0.997 20 0 BCADHN C[C@@H](C(=O)NC1CCCCC1)N1CCNCC1 ZINC000019976924 590061427 /nfs/dbraw/zinc/06/14/27/590061427.db2.gz MZYRHJSHCJDUDD-NSHDSACASA-N 0 3 239.363 0.729 20 0 BCADHN CN(C)CCNC(=O)c1cnc(Cl)n1C ZINC000873735191 590069947 /nfs/dbraw/zinc/06/99/47/590069947.db2.gz ALIFHUUNNRWRLZ-UHFFFAOYSA-N 0 3 230.699 0.365 20 0 BCADHN O=C(CN1CCCC1)NCCN1CCCC1 ZINC000873841287 590074354 /nfs/dbraw/zinc/07/43/54/590074354.db2.gz LSCLMVCQLXAEEL-UHFFFAOYSA-N 0 3 225.336 0.294 20 0 BCADHN CN(CC1CCOCC1)CN1CCCC1=O ZINC000124682978 590075005 /nfs/dbraw/zinc/07/50/05/590075005.db2.gz OVJNMKAHZKWZGP-UHFFFAOYSA-N 0 3 226.320 0.925 20 0 BCADHN C[C@@H](CCO)NCC(C)(C)S(C)(=O)=O ZINC000124745663 590080351 /nfs/dbraw/zinc/08/03/51/590080351.db2.gz DIGNJYVCILJBEX-QMMMGPOBSA-N 0 3 223.338 0.170 20 0 BCADHN CCN(CCNC(=O)CN1CCCC1)C1CC1 ZINC000874338205 590104658 /nfs/dbraw/zinc/10/46/58/590104658.db2.gz VRWITXDJYAKRKH-UHFFFAOYSA-N 0 3 239.363 0.683 20 0 BCADHN CCCN(CCN(C)C)C(=O)CN1CCCC1 ZINC000874379188 590106697 /nfs/dbraw/zinc/10/66/97/590106697.db2.gz LGHXDFNIEXCFDP-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CCONC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000124989055 590107192 /nfs/dbraw/zinc/10/71/92/590107192.db2.gz SDSAGQSDTNEDAP-JTQLQIEISA-N 0 3 227.308 0.721 20 0 BCADHN C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCCN2C)N(C)C ZINC000874822167 590141174 /nfs/dbraw/zinc/14/11/74/590141174.db2.gz GKIBRNVPZUCDEM-WOPDTQHZSA-N 0 3 239.363 0.632 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H](O)C1 ZINC000874823274 590141208 /nfs/dbraw/zinc/14/12/08/590141208.db2.gz OAEQIOGRUZUBDD-WHOHXGKFSA-N 0 3 238.331 0.452 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ncc[nH]1 ZINC000874826224 590142291 /nfs/dbraw/zinc/14/22/91/590142291.db2.gz NBMFFUBVTLNNIR-NXEZZACHSA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H](O)C1CC1 ZINC000874828891 590142627 /nfs/dbraw/zinc/14/26/27/590142627.db2.gz JRYZTXNPWUNNBL-QJPTWQEYSA-N 0 3 238.331 0.452 20 0 BCADHN C[C@H](O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874830158 590142764 /nfs/dbraw/zinc/14/27/64/590142764.db2.gz QIKAWTMWRJZTET-AEJSXWLSSA-N 0 3 212.293 0.062 20 0 BCADHN CN(C)CC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874837709 590143088 /nfs/dbraw/zinc/14/30/88/590143088.db2.gz JDIDRCODEYBRIK-QWRGUYRKSA-N 0 3 225.336 0.243 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)C1(C)COC1 ZINC000874834244 590144290 /nfs/dbraw/zinc/14/42/90/590144290.db2.gz QLHYGGQZRYRJKB-QWRGUYRKSA-N 0 3 238.331 0.718 20 0 BCADHN Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cn1 ZINC000874845095 590144441 /nfs/dbraw/zinc/14/44/41/590144441.db2.gz FYOJSFSBVSLQBG-RYUDHWBXSA-N 0 3 248.330 0.729 20 0 BCADHN Cn1nccc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874841570 590144528 /nfs/dbraw/zinc/14/45/28/590144528.db2.gz CLHWSILCVACRGG-GHMZBOCLSA-N 0 3 248.330 0.729 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cccn1 ZINC000874844551 590145052 /nfs/dbraw/zinc/14/50/52/590145052.db2.gz CAKNNCJUVCFKSZ-NEPJUHHUSA-N 0 3 248.330 0.578 20 0 BCADHN CO[C@@]1(C)C[C@@H](NCCS(C)(=O)=O)C1(C)C ZINC000125195154 590151808 /nfs/dbraw/zinc/15/18/08/590151808.db2.gz DFZCDPXGVYVKFR-KOLCDFICSA-N 0 3 249.376 0.824 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NC[C@H]1C[C@H](O)C1 ZINC000875152639 590161288 /nfs/dbraw/zinc/16/12/88/590161288.db2.gz UDRJJMBCQJIRSG-DCAQKATOSA-N 0 3 241.335 0.151 20 0 BCADHN COCCCOCCN(C)CCC1OCCO1 ZINC000125339214 590162230 /nfs/dbraw/zinc/16/22/30/590162230.db2.gz XAICMXZRNNUEHX-UHFFFAOYSA-N 0 3 247.335 0.734 20 0 BCADHN CC[C@@H](C[C@@H](C)O)NC(=O)NC[C@H](C)N(C)C ZINC000875645538 590167502 /nfs/dbraw/zinc/16/75/02/590167502.db2.gz XKRCTXLTWUHCMJ-AXFHLTTASA-N 0 3 245.367 0.785 20 0 BCADHN CN(C)CCN(C)C(=O)Nc1ncccn1 ZINC000888684991 590175554 /nfs/dbraw/zinc/17/55/54/590175554.db2.gz HFIBENWBHWLDDV-UHFFFAOYSA-N 0 3 223.280 0.502 20 0 BCADHN CN(C)CCNC(=O)NCc1ccnc(F)c1 ZINC000876039907 590184355 /nfs/dbraw/zinc/18/43/55/590184355.db2.gz CGVAZRZCVQPGDW-UHFFFAOYSA-N 0 3 240.282 0.582 20 0 BCADHN Cc1nonc1CNC(=O)N(C)CCN(C)C ZINC000876439748 590200151 /nfs/dbraw/zinc/20/01/51/590200151.db2.gz VGMLLBHVCATCPD-UHFFFAOYSA-N 0 3 241.295 0.081 20 0 BCADHN CNC(=S)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000126000131 590203630 /nfs/dbraw/zinc/20/36/30/590203630.db2.gz ZLXQTUYLHQFFAX-JGVFFNPUSA-N 0 3 201.339 0.563 20 0 BCADHN CC1=C(C(=O)N2CCCNCC2)CCCO1 ZINC000876505386 590204331 /nfs/dbraw/zinc/20/43/31/590204331.db2.gz DUZHTTOXUQEGOH-UHFFFAOYSA-N 0 3 224.304 0.893 20 0 BCADHN O=C([N-][C@@H]1CC[NH2+]C1)C(F)(F)C1CCOCC1 ZINC000876509667 590204833 /nfs/dbraw/zinc/20/48/33/590204833.db2.gz GEAXFVHGSWSWIJ-SECBINFHSA-N 0 3 248.273 0.526 20 0 BCADHN Cn1ncc2cc(CN3CCC[C@@H]3CO)cnc21 ZINC000876560524 590216064 /nfs/dbraw/zinc/21/60/64/590216064.db2.gz GKQMLYOATVEYNR-GFCCVEGCSA-N 0 3 246.314 0.925 20 0 BCADHN CCN(CCC[C@@H]1CCO1)CC(=O)NC ZINC000876577959 590218189 /nfs/dbraw/zinc/21/81/89/590218189.db2.gz WBOUSTYPZFWSAQ-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CCN[C@H](C)C(=O)NCc1nc(C2CC2)no1 ZINC000876623782 590223054 /nfs/dbraw/zinc/22/30/54/590223054.db2.gz UMRBKEBKOOQTDD-SSDOTTSWSA-N 0 3 238.291 0.561 20 0 BCADHN CCN[C@H](C)C(=O)N(C)[C@H]1CCCCNC1=O ZINC000876631347 590223662 /nfs/dbraw/zinc/22/36/62/590223662.db2.gz IERRDYQTAUXGRF-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN CC1(CN2CCO[C@H](C(N)=O)C2)CCCC1 ZINC000876657376 590226589 /nfs/dbraw/zinc/22/65/89/590226589.db2.gz FJROVVXRDALHQM-JTQLQIEISA-N 0 3 226.320 0.753 20 0 BCADHN CC[C@@]1(C)CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876666652 590227762 /nfs/dbraw/zinc/22/77/62/590227762.db2.gz VUZLGAZDZJLTQS-AAEUAGOBSA-N 0 3 241.379 0.914 20 0 BCADHN CC(C)N(C(=O)[C@@H](N)CN(C)C)C1CCC1 ZINC000876675839 590229161 /nfs/dbraw/zinc/22/91/61/590229161.db2.gz FXWKNKASOMUXRF-NSHDSACASA-N 0 3 227.352 0.665 20 0 BCADHN CO[C@H](CNC(=O)[C@@H](N)CN(C)C)C(C)(C)C ZINC000876696901 590231612 /nfs/dbraw/zinc/23/16/12/590231612.db2.gz LIICCVINVGTVDP-VHSXEESVSA-N 0 3 245.367 0.053 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@](C)(CC)CC(=O)OC ZINC000876700715 590231878 /nfs/dbraw/zinc/23/18/78/590231878.db2.gz IIILQMNXMAPANL-JOYOIKCWSA-N 0 3 244.335 0.832 20 0 BCADHN CO[C@H]1CN[C@@](C)(C(=O)N(C)c2cn[nH]c2)C1 ZINC000876779044 590240104 /nfs/dbraw/zinc/24/01/04/590240104.db2.gz VCIWBIOVWLZYFX-MWLCHTKSSA-N 0 3 238.291 0.140 20 0 BCADHN CO[C@@H]1CN[C@](C)(C(=O)N(C)c2cn[nH]c2)C1 ZINC000876779045 590240246 /nfs/dbraw/zinc/24/02/46/590240246.db2.gz VCIWBIOVWLZYFX-ONGXEEELSA-N 0 3 238.291 0.140 20 0 BCADHN Cc1nc[nH]c1C(=O)N[C@H]1CNCCC1(F)F ZINC000876866937 590251280 /nfs/dbraw/zinc/25/12/80/590251280.db2.gz NZMZJOSRYKUKJI-ZETCQYMHSA-N 0 3 244.245 0.445 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)c1cccnn1 ZINC000876865008 590251517 /nfs/dbraw/zinc/25/15/17/590251517.db2.gz TWNSICNQISGDBW-QMMMGPOBSA-N 0 3 242.229 0.204 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1cnn(C(F)F)c1 ZINC000876875781 590252461 /nfs/dbraw/zinc/25/24/61/590252461.db2.gz AJSLOXUAXVCZOL-ZETCQYMHSA-N 0 3 247.249 0.106 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)CC1(C)C ZINC000876907495 590256073 /nfs/dbraw/zinc/25/60/73/590256073.db2.gz FCXFNIDAUYEEIL-MNOVXSKESA-N 0 3 241.379 0.770 20 0 BCADHN CC1=C(C(=O)NC[C@H]2CNCCO2)CCCO1 ZINC000876916808 590256765 /nfs/dbraw/zinc/25/67/65/590256765.db2.gz HFDPOENNFNANLR-SNVBAGLBSA-N 0 3 240.303 0.175 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000876952262 590259823 /nfs/dbraw/zinc/25/98/23/590259823.db2.gz ZNSZRSJDXKOPKM-WPRPVWTQSA-N 0 3 247.289 0.133 20 0 BCADHN CCN[C@@H](C)C(=O)N1CC[C@](F)(C(=O)OC)C1 ZINC000876956482 590259937 /nfs/dbraw/zinc/25/99/37/590259937.db2.gz LJWLRKGVUQJOTI-GZMMTYOYSA-N 0 3 246.282 0.098 20 0 BCADHN CC(=O)CCN1CCC[C@H](CNC(C)=O)C1 ZINC000126279598 590263387 /nfs/dbraw/zinc/26/33/87/590263387.db2.gz BZGOVHLFHJZXPO-GFCCVEGCSA-N 0 3 226.320 0.814 20 0 BCADHN CC(=O)CCN1CCC[C@@H](CNC(C)=O)C1 ZINC000126279816 590263549 /nfs/dbraw/zinc/26/35/49/590263549.db2.gz BZGOVHLFHJZXPO-LBPRGKRZSA-N 0 3 226.320 0.814 20 0 BCADHN CC/C=C(/F)C(=O)N1CCOC2(CNC2)C1 ZINC000876985149 590263716 /nfs/dbraw/zinc/26/37/16/590263716.db2.gz UUMHABAPCGKALU-YCRREMRBSA-N 0 3 228.267 0.451 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)C[C@H]1CC1(C)C ZINC000876979958 590264245 /nfs/dbraw/zinc/26/42/45/590264245.db2.gz UWAWGJBVVHDCSG-ZJUUUORDSA-N 0 3 227.352 0.380 20 0 BCADHN CC1=C(C(=O)N2CC[C@@H](F)[C@H](N)C2)CCCO1 ZINC000876979171 590264289 /nfs/dbraw/zinc/26/42/89/590264289.db2.gz WEAXTOSWOQTJMT-GHMZBOCLSA-N 0 3 242.294 0.969 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)C[C@@H]1CC1(C)C ZINC000876979957 590264304 /nfs/dbraw/zinc/26/43/04/590264304.db2.gz UWAWGJBVVHDCSG-UWVGGRQHSA-N 0 3 227.352 0.380 20 0 BCADHN CNC(=O)CCNC[C@H]1CC1(Cl)Cl ZINC000876986633 590264960 /nfs/dbraw/zinc/26/49/60/590264960.db2.gz JAOOKEFVNNDVJH-ZCFIWIBFSA-N 0 3 225.119 0.906 20 0 BCADHN CCn1ncc(CNC(=O)[C@@H](N)C(C)(C)C)n1 ZINC000876989757 590265863 /nfs/dbraw/zinc/26/58/63/590265863.db2.gz DYWOVLWSIVLCMV-SECBINFHSA-N 0 3 239.323 0.288 20 0 BCADHN CNc1ccc(NC(=O)[C@@H](N)CN(C)C)cc1 ZINC000877019045 590269422 /nfs/dbraw/zinc/26/94/22/590269422.db2.gz FJQQIYXQQBFHLP-NSHDSACASA-N 0 3 236.319 0.556 20 0 BCADHN Cc1ncccc1CNC(=O)C1=NO[C@H](CN)C1 ZINC000877033158 590271925 /nfs/dbraw/zinc/27/19/25/590271925.db2.gz YBZFHYICLFISLH-JTQLQIEISA-N 0 3 248.286 0.110 20 0 BCADHN CC[S@](=O)CCN[C@@H](C)Cc1cnccn1 ZINC000877040284 590273492 /nfs/dbraw/zinc/27/34/92/590273492.db2.gz BSNBJRKVLVBZEZ-QFYYESIMSA-N 0 3 241.360 0.766 20 0 BCADHN CCC[C@@H](CNC[C@@H](O)c1cnn(C)c1)OC ZINC000877072568 590277980 /nfs/dbraw/zinc/27/79/80/590277980.db2.gz OWIXPKBGUGRAGC-NWDGAFQWSA-N 0 3 241.335 0.858 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000877081105 590280103 /nfs/dbraw/zinc/28/01/03/590280103.db2.gz XFGVLAWHFNQNJF-GJMOJQLCSA-N 0 3 211.265 0.005 20 0 BCADHN CC(C)(F)CNC(=O)[C@]1(F)CCNC1 ZINC000877123730 590281761 /nfs/dbraw/zinc/28/17/61/590281761.db2.gz BYUBUSIOYGHHSN-VIFPVBQESA-N 0 3 206.236 0.552 20 0 BCADHN C[C@@H]([NH3+])CN(C)C(=O)c1ccc(N)cc1[O-] ZINC000877104832 590284520 /nfs/dbraw/zinc/28/45/20/590284520.db2.gz KJCYSHUGOICZLO-SSDOTTSWSA-N 0 3 223.276 0.394 20 0 BCADHN CO[C@@H](CNCC1(C)OCCO1)C1CC1 ZINC000877118300 590288227 /nfs/dbraw/zinc/28/82/27/590288227.db2.gz VMLFWHDUDMMVGG-JTQLQIEISA-N 0 3 215.293 0.764 20 0 BCADHN C[C@H](Cc1cnccn1)NCC1(C)OCCO1 ZINC000877118329 590288659 /nfs/dbraw/zinc/28/86/59/590288659.db2.gz XKHVBHCBPCRYSH-SNVBAGLBSA-N 0 3 237.303 0.760 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCC(C)(C)F ZINC000877123935 590289338 /nfs/dbraw/zinc/28/93/38/590289338.db2.gz GGXCPLHTVRIMAP-SSDOTTSWSA-N 0 3 202.273 0.991 20 0 BCADHN COc1cncc(NC(=O)[C@@]2(F)CCNC2)c1 ZINC000877131602 590290377 /nfs/dbraw/zinc/29/03/77/590290377.db2.gz FMHUODBLMXYCBJ-LLVKDONJSA-N 0 3 239.250 0.730 20 0 BCADHN COc1cncc(NC(=O)CNC2CC2)c1 ZINC000877131792 590290544 /nfs/dbraw/zinc/29/05/44/590290544.db2.gz KPLLTPYJJUTYTQ-UHFFFAOYSA-N 0 3 221.260 0.781 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877175614 590296771 /nfs/dbraw/zinc/29/67/71/590296771.db2.gz AWIJZJIMLIMZPE-OKDNFBLISA-N 0 3 224.304 0.263 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877178344 590297101 /nfs/dbraw/zinc/29/71/01/590297101.db2.gz SYWADYJLBHWSFI-ALMWHKAHSA-N 0 3 224.304 0.134 20 0 BCADHN NC1(C(=O)N[C@@H]2CCCC[C@@H]2F)CC1 ZINC000877179294 590297859 /nfs/dbraw/zinc/29/78/59/590297859.db2.gz QGADSMZYSZAWNW-JGVFFNPUSA-N 0 3 200.257 0.875 20 0 BCADHN OCCOCCCNCc1ccc(Cl)nn1 ZINC000877186521 590298391 /nfs/dbraw/zinc/29/83/91/590298391.db2.gz PFFXJSHKGAOQSS-UHFFFAOYSA-N 0 3 245.710 0.619 20 0 BCADHN CO[C@@H]1CC[C@H](C)N(C(=O)[C@]2(F)CCNC2)C1 ZINC000877198398 590299769 /nfs/dbraw/zinc/29/97/69/590299769.db2.gz YZXYCRWZMWBFDT-UMNHJUIQSA-N 0 3 244.310 0.714 20 0 BCADHN CO[C@@H]1CC[C@@H](C)N(C(=O)[C@@]2(F)CCNC2)C1 ZINC000877198395 590299856 /nfs/dbraw/zinc/29/98/56/590299856.db2.gz YZXYCRWZMWBFDT-CKYFFXLPSA-N 0 3 244.310 0.714 20 0 BCADHN CO[C@@H]1CC[C@@H](C)N(C(=O)[C@]2(F)CCNC2)C1 ZINC000877198396 590300039 /nfs/dbraw/zinc/30/00/39/590300039.db2.gz YZXYCRWZMWBFDT-FOGDFJRCSA-N 0 3 244.310 0.714 20 0 BCADHN O=C(NCc1ccnc(F)c1)[C@]1(F)CCNC1 ZINC000877202477 590300651 /nfs/dbraw/zinc/30/06/51/590300651.db2.gz RVVYYCGIOGAIHT-NSHDSACASA-N 0 3 241.241 0.539 20 0 BCADHN CC(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877207702 590300900 /nfs/dbraw/zinc/30/09/00/590300900.db2.gz GFSUOSFLMHWGDU-UHFFFAOYSA-N 0 3 245.286 0.362 20 0 BCADHN Nc1ccc2c(c1)OCCN(C(=O)C1(N)CC1)C2 ZINC000877210170 590301068 /nfs/dbraw/zinc/30/10/68/590301068.db2.gz ZAKNEXDPLNNCAM-UHFFFAOYSA-N 0 3 247.298 0.481 20 0 BCADHN NCC(=O)NCc1ccc(Br)cn1 ZINC000877247966 590303439 /nfs/dbraw/zinc/30/34/39/590303439.db2.gz ZOVWLVKKKAHKQK-UHFFFAOYSA-N 0 3 244.092 0.419 20 0 BCADHN NC1(C(=O)N2CC[C@@H]3CSC[C@@H]3C2)CC1 ZINC000877248809 590303970 /nfs/dbraw/zinc/30/39/70/590303970.db2.gz FGEMUZNYCOGZGK-BDAKNGLRSA-N 0 3 226.345 0.689 20 0 BCADHN C[C@@H](NC(=O)C1(N)CCCC1)c1ccnn1C ZINC000877263836 590304512 /nfs/dbraw/zinc/30/45/12/590304512.db2.gz DJYFVGWLNUCWRB-SECBINFHSA-N 0 3 236.319 0.869 20 0 BCADHN C[C@H](N)C(=O)NCc1noc2cc(F)ccc12 ZINC000877263978 590304634 /nfs/dbraw/zinc/30/46/34/590304634.db2.gz HMEPIPJBXSOYMW-LURJTMIESA-N 0 3 237.234 0.930 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877272912 590305355 /nfs/dbraw/zinc/30/53/55/590305355.db2.gz LMTSAIHGWQEEMN-WCBMZHEXSA-N 0 3 248.286 0.149 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877299343 590308011 /nfs/dbraw/zinc/30/80/11/590308011.db2.gz LDFQLGZMWPTOFH-VXNVDRBHSA-N 0 3 248.273 0.619 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877299342 590308338 /nfs/dbraw/zinc/30/83/38/590308338.db2.gz LDFQLGZMWPTOFH-IONNQARKSA-N 0 3 248.273 0.619 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCC(C(C)=O)CC1 ZINC000877301380 590308777 /nfs/dbraw/zinc/30/87/77/590308777.db2.gz SXMGDPRBHNIQQL-VIFPVBQESA-N 0 3 226.320 0.812 20 0 BCADHN CC(=O)C1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000877300946 590308899 /nfs/dbraw/zinc/30/88/99/590308899.db2.gz ILRSFVHSNZGIFV-LBPRGKRZSA-N 0 3 238.331 0.956 20 0 BCADHN CCNCC(=O)N1CCO[C@H](C(F)F)C1 ZINC000877301452 590309388 /nfs/dbraw/zinc/30/93/88/590309388.db2.gz VIESKFUBASCUKS-ZETCQYMHSA-N 0 3 222.235 0.088 20 0 BCADHN CC1(C)CO[C@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000877306795 590311058 /nfs/dbraw/zinc/31/10/58/590311058.db2.gz DLGGMIGWGQIGRF-CABZTGNLSA-N 0 3 244.310 0.619 20 0 BCADHN CC1(C)OCC(N[C@H]2CCCNC(=O)C2)CO1 ZINC000877339227 590317570 /nfs/dbraw/zinc/31/75/70/590317570.db2.gz VMIMGQFPHAIRQF-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN NC1(C(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000877346773 590318934 /nfs/dbraw/zinc/31/89/34/590318934.db2.gz HSWNZFTYAVPLNO-GFCCVEGCSA-N 0 3 245.326 0.308 20 0 BCADHN C[C@@H]1CN(C(=O)CN)CC[C@@H](C(F)(F)F)O1 ZINC000877383293 590320383 /nfs/dbraw/zinc/32/03/83/590320383.db2.gz FKASZEZZGYQLAX-RQJHMYQMSA-N 0 3 240.225 0.513 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](C)c1nccnc1C ZINC000877432609 590327267 /nfs/dbraw/zinc/32/72/67/590327267.db2.gz XBTVYKWNSAIXQD-BDAKNGLRSA-N 0 3 222.292 0.570 20 0 BCADHN Cc1nccnc1[C@H](C)NC(=O)[C@H](N)C(C)C ZINC000877432920 590327550 /nfs/dbraw/zinc/32/75/50/590327550.db2.gz ZFJSAOIUACKIMO-VHSXEESVSA-N 0 3 236.319 0.946 20 0 BCADHN CC[C@H](N)C(=O)Nc1cnn(CC)c1C ZINC000877452057 590329551 /nfs/dbraw/zinc/32/95/51/590329551.db2.gz RWUIQISJQZWMNW-QMMMGPOBSA-N 0 3 210.281 0.887 20 0 BCADHN Nc1ncc(CNC[C@@H]2CCC=CO2)c(N)n1 ZINC000877459154 590330373 /nfs/dbraw/zinc/33/03/73/590330373.db2.gz GTONXHVZNPEZAB-VIFPVBQESA-N 0 3 235.291 0.423 20 0 BCADHN CC1(CN2CC[C@H](S(N)(=O)=O)C2)CCCC1 ZINC000877464617 590334159 /nfs/dbraw/zinc/33/41/59/590334159.db2.gz MYBOHONJDMBUPN-JTQLQIEISA-N 0 3 246.376 0.930 20 0 BCADHN C[C@H](CO)N(C)Cc1cnc2c(cnn2C)c1 ZINC000877525788 590348302 /nfs/dbraw/zinc/34/83/02/590348302.db2.gz BEYNEPQGWDDGSK-SECBINFHSA-N 0 3 234.303 0.781 20 0 BCADHN Cn1nncc1CNCCC[C@H]1CCO1 ZINC000877535349 590349854 /nfs/dbraw/zinc/34/98/54/590349854.db2.gz ZSNKEAVMRCZIFW-JTQLQIEISA-N 0 3 210.281 0.474 20 0 BCADHN Cn1nncc1CNCCC[C@@H]1CCO1 ZINC000877535350 590350297 /nfs/dbraw/zinc/35/02/97/590350297.db2.gz ZSNKEAVMRCZIFW-SNVBAGLBSA-N 0 3 210.281 0.474 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000877606761 590371794 /nfs/dbraw/zinc/37/17/94/590371794.db2.gz KGARBNWANQQVGL-ZJUUUORDSA-N 0 3 230.308 0.553 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CS[C@H](C)C1 ZINC000877612963 590372939 /nfs/dbraw/zinc/37/29/39/590372939.db2.gz ZQDFYEREMZBWFZ-RKDXNWHRSA-N 0 3 232.349 0.880 20 0 BCADHN CCON(C)C(=O)CN[C@@H](C)[C@@H]1CCCCO1 ZINC000877611989 590372947 /nfs/dbraw/zinc/37/29/47/590372947.db2.gz JEOKPCXRKARKRR-QWRGUYRKSA-N 0 3 244.335 0.944 20 0 BCADHN CCON(C)C(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000877612966 590372995 /nfs/dbraw/zinc/37/29/95/590372995.db2.gz ZRALKUQSGYNMCC-NXEZZACHSA-N 0 3 230.308 0.553 20 0 BCADHN CCON(CC)C(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000877651223 590385439 /nfs/dbraw/zinc/38/54/39/590385439.db2.gz SYPBYHLMQCUAOW-MNOVXSKESA-N 0 3 244.335 0.944 20 0 BCADHN c1ncn(-c2cc(CNC3CSC3)ccn2)n1 ZINC000877673909 590390168 /nfs/dbraw/zinc/39/01/68/590390168.db2.gz HFQZHEPOXPCRSO-UHFFFAOYSA-N 0 3 247.327 0.867 20 0 BCADHN CCn1ncc(CN(C)[C@@H]2CN3CCC2CC3)n1 ZINC000877705998 590397492 /nfs/dbraw/zinc/39/74/92/590397492.db2.gz DABICDMFBHCDEP-CYBMUJFWSA-N 0 3 249.362 0.824 20 0 BCADHN COC(=O)C1CC(NCc2cnn3c2CCC3)C1 ZINC000877723997 590402716 /nfs/dbraw/zinc/40/27/16/590402716.db2.gz SEUQSYJRMZWVCC-UHFFFAOYSA-N 0 3 249.314 0.871 20 0 BCADHN Cn1nncc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000877738876 590406012 /nfs/dbraw/zinc/40/60/12/590406012.db2.gz MQHNPXVWRSFNLE-UWVGGRQHSA-N 0 3 238.360 1.000 20 0 BCADHN O[C@@H]1CCN(Cc2cccc3n[nH]cc32)C[C@@H]1O ZINC000877750103 590414707 /nfs/dbraw/zinc/41/47/07/590414707.db2.gz IGVHPOOEHYXGCJ-OLZOCXBDSA-N 0 3 247.298 0.490 20 0 BCADHN C[C@@H](N[C@@H]1CCCNC(=O)C1)c1ccnn1C ZINC000877761756 590419383 /nfs/dbraw/zinc/41/93/83/590419383.db2.gz OHMQJHWSVFSFAZ-NXEZZACHSA-N 0 3 236.319 0.739 20 0 BCADHN CCOC(=O)[C@@H](F)[C@@H](C)N[C@H](CO)C(C)C ZINC000126767425 590440691 /nfs/dbraw/zinc/44/06/91/590440691.db2.gz VMAJWBRRLVGGHT-BBBLOLIVSA-N 0 3 235.299 0.883 20 0 BCADHN COCCN(CCOC)CC[C@@H](O)C(C)C ZINC000877914827 590446228 /nfs/dbraw/zinc/44/62/28/590446228.db2.gz HTMBNCPIVXINOM-GFCCVEGCSA-N 0 3 233.352 0.988 20 0 BCADHN C=C/C=C/CCN(C)CC(=O)N1CCOCC1 ZINC000877940759 590453010 /nfs/dbraw/zinc/45/30/10/590453010.db2.gz VNSQDCOVXGUSRL-SNAWJCMRSA-N 0 3 238.331 0.909 20 0 BCADHN CN(C)CCNC(=O)c1cncc2[nH]ccc21 ZINC000877950944 590455257 /nfs/dbraw/zinc/45/52/57/590455257.db2.gz OUNPQSPAGYHPCE-UHFFFAOYSA-N 0 3 232.287 0.854 20 0 BCADHN COCCN(CCc1nnnn1C)CC(C)C ZINC000877966390 590460339 /nfs/dbraw/zinc/46/03/39/590460339.db2.gz JAXXETMRIACGJX-UHFFFAOYSA-N 0 3 241.339 0.357 20 0 BCADHN CNC(=O)[C@H]1CCCN1C[C@H]1C[C@@H](OC)C1 ZINC000877990521 590467636 /nfs/dbraw/zinc/46/76/36/590467636.db2.gz GWODGOYNXVCLLJ-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN CN(CCc1ccc(F)cc1)CCn1cnnn1 ZINC000877992623 590467897 /nfs/dbraw/zinc/46/78/97/590467897.db2.gz XMEVSGYLITZLJZ-UHFFFAOYSA-N 0 3 249.293 0.987 20 0 BCADHN CCOC(=O)CCN(C)C[C@H](O)CC(C)(C)O ZINC000878035815 590473857 /nfs/dbraw/zinc/47/38/57/590473857.db2.gz FJFQSBKGVOPBTH-SNVBAGLBSA-N 0 3 247.335 0.393 20 0 BCADHN C[C@H]1CN(C[C@@H](O)CC(C)(C)O)CCCO1 ZINC000878042291 590476274 /nfs/dbraw/zinc/47/62/74/590476274.db2.gz WSJPDWKOLMJTKC-QWRGUYRKSA-N 0 3 231.336 0.619 20 0 BCADHN C[C@H]1OCC[C@@H]1CN1CCCNC(=O)C1 ZINC000878039459 590477564 /nfs/dbraw/zinc/47/75/64/590477564.db2.gz UQPLRFCJDGJREN-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN O=C(COC1CC1)NC1CCN(C2CC2)CC1 ZINC000878042679 590479267 /nfs/dbraw/zinc/47/92/67/590479267.db2.gz DFYGYYUVTCSABU-UHFFFAOYSA-N 0 3 238.331 0.908 20 0 BCADHN O=C1CCN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CCN1 ZINC000878050052 590482275 /nfs/dbraw/zinc/48/22/75/590482275.db2.gz PQGLCUKWZRLDNC-SRVKXCTJSA-N 0 3 238.331 0.766 20 0 BCADHN CCN(CCO)C[C@H](O)CC1(O)CCCC1 ZINC000878050656 590482669 /nfs/dbraw/zinc/48/26/69/590482669.db2.gz YHWISQVLOJRFGS-LLVKDONJSA-N 0 3 231.336 0.357 20 0 BCADHN CN(CC(=O)NC1CCN(C)CC1)CC(F)F ZINC000878052407 590483550 /nfs/dbraw/zinc/48/35/50/590483550.db2.gz RQSVLAABQWOKJN-UHFFFAOYSA-N 0 3 249.305 0.394 20 0 BCADHN CN(Cc1cc[nH]c(=O)c1)[C@@H]1CCCCNC1=O ZINC000878052793 590483748 /nfs/dbraw/zinc/48/37/48/590483748.db2.gz PSCGMUIOJANUGB-LLVKDONJSA-N 0 3 249.314 0.888 20 0 BCADHN CN(C[C@@H](O)CC(C)(C)O)[C@@H]1CCOC1 ZINC000878085393 590490053 /nfs/dbraw/zinc/49/00/53/590490053.db2.gz RHSKKPHUCUEWSP-ZJUUUORDSA-N 0 3 217.309 0.229 20 0 BCADHN CC(=O)CCN1CCC(OCCO)CC1 ZINC000126896598 590491695 /nfs/dbraw/zinc/49/16/95/590491695.db2.gz KXGUJVNGPZYQOP-UHFFFAOYSA-N 0 3 215.293 0.439 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCNC(=O)C1(C)C ZINC000878107719 590495694 /nfs/dbraw/zinc/49/56/94/590495694.db2.gz VRAJUMBBEKUTOV-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1OCC[C@@H]1CN1CCNC(=O)C1(C)C ZINC000878107717 590496504 /nfs/dbraw/zinc/49/65/04/590496504.db2.gz VRAJUMBBEKUTOV-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1SCCN(CCn2cnnn2)[C@@H]1C ZINC000878114538 590498182 /nfs/dbraw/zinc/49/81/82/590498182.db2.gz LHTNHCKDFCIMTI-RKDXNWHRSA-N 0 3 227.337 0.499 20 0 BCADHN C[C@@H]1CSCCN1C[C@H](O)CC(C)(C)O ZINC000878122327 590500611 /nfs/dbraw/zinc/50/06/11/590500611.db2.gz ZELYUJWUOQLBPZ-NXEZZACHSA-N 0 3 233.377 0.946 20 0 BCADHN CC[C@H]1CN(CCc2nnnn2C)CCS1 ZINC000878151178 590505973 /nfs/dbraw/zinc/50/59/73/590505973.db2.gz NHTJQQPLSSFWLL-VIFPVBQESA-N 0 3 241.364 0.580 20 0 BCADHN CN(CCc1nnnn1C)Cc1cccc(O)c1 ZINC000878164433 590511526 /nfs/dbraw/zinc/51/15/26/590511526.db2.gz HOZYIEWDDQXQPZ-UHFFFAOYSA-N 0 3 247.302 0.590 20 0 BCADHN CO[C@@H]1CCN(CCc2cnccn2)C1 ZINC000878165923 590512808 /nfs/dbraw/zinc/51/28/08/590512808.db2.gz HQTGHLWVJMZHJV-LLVKDONJSA-N 0 3 207.277 0.740 20 0 BCADHN CO[C@@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC000878166204 590512846 /nfs/dbraw/zinc/51/28/46/590512846.db2.gz OILHKSBZUDJCLV-VHSXEESVSA-N 0 3 222.292 0.486 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000878174476 590515305 /nfs/dbraw/zinc/51/53/05/590515305.db2.gz PMISMBDBFHQHLW-MXWKQRLJSA-N 0 3 239.319 0.121 20 0 BCADHN CN(CCOCC1CC1)CCc1nnnn1C ZINC000878186724 590519834 /nfs/dbraw/zinc/51/98/34/590519834.db2.gz UMWJAWLFDXPOMK-UHFFFAOYSA-N 0 3 239.323 0.111 20 0 BCADHN C[C@H]1OCC[C@H]1CN1CCC2(C1)OCCO2 ZINC000878236720 590526692 /nfs/dbraw/zinc/52/66/92/590526692.db2.gz MRQPFYFUYQUJFR-MNOVXSKESA-N 0 3 227.304 0.860 20 0 BCADHN CN(CCc1nnnn1C)[C@@H](CO)C(C)(C)C ZINC000878284895 590532857 /nfs/dbraw/zinc/53/28/57/590532857.db2.gz MALSFTUZZDDXSD-VIFPVBQESA-N 0 3 241.339 0.091 20 0 BCADHN C[C@H]1COCCN(C[C@H](O)CC(C)(C)O)C1 ZINC000878299680 590537066 /nfs/dbraw/zinc/53/70/66/590537066.db2.gz XTGUEHYHNXORIT-GHMZBOCLSA-N 0 3 231.336 0.477 20 0 BCADHN C[C@@H]1COCCN(C[C@@H]2CCc3ncnn32)C1 ZINC000878298557 590537422 /nfs/dbraw/zinc/53/74/22/590537422.db2.gz JBRNIJMAUFWHLK-QWRGUYRKSA-N 0 3 236.319 0.734 20 0 BCADHN CN(CCc1ccccn1)CCn1cnnn1 ZINC000878308732 590540219 /nfs/dbraw/zinc/54/02/19/590540219.db2.gz GLCNDAOLGLLXJJ-UHFFFAOYSA-N 0 3 232.291 0.243 20 0 BCADHN CN(CCCOC(F)(F)F)[C@H]1CCNC1=O ZINC000878307588 590540137 /nfs/dbraw/zinc/54/01/37/590540137.db2.gz QUOXPCUVQCKKBH-ZETCQYMHSA-N 0 3 240.225 0.733 20 0 BCADHN c1nnnn1CCN1CCC2(CCOC2)CC1 ZINC000878317188 590543012 /nfs/dbraw/zinc/54/30/12/590543012.db2.gz OULVAHIZQILKOH-UHFFFAOYSA-N 0 3 237.307 0.176 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@H](O)C[C@@H]1C ZINC000878319504 590543545 /nfs/dbraw/zinc/54/35/45/590543545.db2.gz URLGUNOQMAHOMP-AXFHLTTASA-N 0 3 217.309 0.227 20 0 BCADHN Cn1nnnc1CCN1CC[C@@H](C(F)F)C1 ZINC000878321014 590545158 /nfs/dbraw/zinc/54/51/58/590545158.db2.gz SPUZFXVQSWEFSJ-SSDOTTSWSA-N 0 3 231.250 0.340 20 0 BCADHN CC(C)[C@@H](O)CCN1CCSC[C@@H]1CO ZINC000878327660 590547789 /nfs/dbraw/zinc/54/77/89/590547789.db2.gz PAWLLVLFYKBYSV-QWRGUYRKSA-N 0 3 233.377 0.803 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC2(O)CCCC2)C[C@@H]1O ZINC000878335360 590550026 /nfs/dbraw/zinc/55/00/26/590550026.db2.gz LRVUCMJZOGOCCN-WOPDTQHZSA-N 0 3 243.347 0.355 20 0 BCADHN COCC1(C)CCN(CCn2cnnn2)CC1 ZINC000878343670 590552966 /nfs/dbraw/zinc/55/29/66/590552966.db2.gz HGNDVPHDMDUALX-UHFFFAOYSA-N 0 3 239.323 0.422 20 0 BCADHN COC[C@@H](NCCn1cnnn1)c1ccccc1 ZINC000878357415 590553553 /nfs/dbraw/zinc/55/35/53/590553553.db2.gz JDOKNFBMFBFWAE-GFCCVEGCSA-N 0 3 247.302 0.650 20 0 BCADHN CC[C@@H](C)[C@H](C)NCc1nnc2c(=O)[nH]ccn12 ZINC000878366407 590554586 /nfs/dbraw/zinc/55/45/86/590554586.db2.gz NIQILVZPWIXRDA-BDAKNGLRSA-N 0 3 249.318 0.942 20 0 BCADHN COC1(C)CCN(CCc2nnnn2C)CC1 ZINC000878373099 590555274 /nfs/dbraw/zinc/55/52/74/590555274.db2.gz GITCBKKWEVWLAI-UHFFFAOYSA-N 0 3 239.323 0.254 20 0 BCADHN Cc1ccncc1[C@H](C)NCCn1cnnn1 ZINC000878403031 590560845 /nfs/dbraw/zinc/56/08/45/590560845.db2.gz LSJRCSNGUYAHBJ-JTQLQIEISA-N 0 3 232.291 0.727 20 0 BCADHN CN(CCc1ccc(C(N)=O)cc1)C1CC(O)C1 ZINC000878429054 590565819 /nfs/dbraw/zinc/56/58/19/590565819.db2.gz VQUUGOQZIMRVBQ-UHFFFAOYSA-N 0 3 248.326 0.783 20 0 BCADHN CC(C)[C@@H](O)CCN1CCN(CCO)[C@@H](C)C1 ZINC000878464685 590572240 /nfs/dbraw/zinc/57/22/40/590572240.db2.gz FEWUVOBUGUVXCG-STQMWFEESA-N 0 3 244.379 0.392 20 0 BCADHN CO[C@H]1CN(CCn2cnnn2)CC[C@@H]1C ZINC000878483799 590577646 /nfs/dbraw/zinc/57/76/46/590577646.db2.gz QUERXNAFURCUDA-UWVGGRQHSA-N 0 3 225.296 0.030 20 0 BCADHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CCn1cnnn1 ZINC000878486871 590577950 /nfs/dbraw/zinc/57/79/50/590577950.db2.gz IVYCDZMUUIMFFW-GMTAPVOTSA-N 0 3 239.323 0.154 20 0 BCADHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CCn1cnnn1 ZINC000878486872 590578316 /nfs/dbraw/zinc/57/83/16/590578316.db2.gz IVYCDZMUUIMFFW-MXWKQRLJSA-N 0 3 239.323 0.154 20 0 BCADHN C=C/C=C\CCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000878530416 590587616 /nfs/dbraw/zinc/58/76/16/590587616.db2.gz UOXOIZUHRIOWMD-DHCBQETCSA-N 0 3 249.314 0.793 20 0 BCADHN CC(C)[C@H](O)CCN[C@H]1C(=O)NCC[C@@H]1C ZINC000878554783 590588006 /nfs/dbraw/zinc/58/80/06/590588006.db2.gz JYXPILFQRUJOLU-HBNTYKKESA-N 0 3 228.336 0.508 20 0 BCADHN CC1=C(C)CN(CCn2cnnn2)CC1 ZINC000878544883 590589717 /nfs/dbraw/zinc/58/97/17/590589717.db2.gz AUZYDMWWRBTGAT-UHFFFAOYSA-N 0 3 207.281 0.715 20 0 BCADHN CO[C@@H]1CCN(CCn2cnnn2)[C@@H](C)C1 ZINC000878555045 590591664 /nfs/dbraw/zinc/59/16/64/590591664.db2.gz PAYYVCHOTJWFAG-VHSXEESVSA-N 0 3 225.296 0.172 20 0 BCADHN CN(CCCO)C[C@@H](O)CC1(O)CCCCC1 ZINC000878556494 590592032 /nfs/dbraw/zinc/59/20/32/590592032.db2.gz QMRWOWGYLVXCLZ-LBPRGKRZSA-N 0 3 245.363 0.747 20 0 BCADHN CN(CCC(N)=O)C[C@H]1CCC2(CCC2)O1 ZINC000878612597 590596724 /nfs/dbraw/zinc/59/67/24/590596724.db2.gz RKYPLBHRXSMPKV-SNVBAGLBSA-N 0 3 226.320 0.895 20 0 BCADHN CC1(C)CO[C@@H](CN2CCCN(C=O)CC2)C1 ZINC000878637901 590599052 /nfs/dbraw/zinc/59/90/52/590599052.db2.gz MWPUFPLDORITAL-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(CCn1cnnn1)C[C@@H](C)OC ZINC000878638632 590599126 /nfs/dbraw/zinc/59/91/26/590599126.db2.gz UNTMAVUPEPONBQ-SECBINFHSA-N 0 3 213.285 0.030 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CC[C@H](O)C(C)C)C[C@@H]21 ZINC000878642450 590599462 /nfs/dbraw/zinc/59/94/62/590599462.db2.gz PIYASSILNPRBHU-WHOHXGKFSA-N 0 3 241.331 0.744 20 0 BCADHN COCC(C)(C)N(C)CCc1nnnn1C ZINC000878644494 590600426 /nfs/dbraw/zinc/60/04/26/590600426.db2.gz WWJXUKJBFXTSDM-UHFFFAOYSA-N 0 3 227.312 0.109 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)O)C[C@H](C)N1C ZINC000878654839 590603007 /nfs/dbraw/zinc/60/30/07/590603007.db2.gz XYRZYMKNRKAYDG-TUAOUCFPSA-N 0 3 244.379 0.533 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC(C)(C)O)C[C@H](C)N1C ZINC000878654838 590603155 /nfs/dbraw/zinc/60/31/55/590603155.db2.gz XYRZYMKNRKAYDG-GRYCIOLGSA-N 0 3 244.379 0.533 20 0 BCADHN CCN(C#N)CCN1CCC[C@H](CO)CC1 ZINC000878656349 590603216 /nfs/dbraw/zinc/60/32/16/590603216.db2.gz MOKKKGZIFPWMGE-LBPRGKRZSA-N 0 3 225.336 0.884 20 0 BCADHN CC(C)[C@H]1CN(CCn2cnnn2)CCCO1 ZINC000878656932 590603841 /nfs/dbraw/zinc/60/38/41/590603841.db2.gz BRZLAUBKJFRFPV-LLVKDONJSA-N 0 3 239.323 0.420 20 0 BCADHN CC(C)[C@H](O)CCN(C)C(C)(C)C(N)=O ZINC000878659125 590604048 /nfs/dbraw/zinc/60/40/48/590604048.db2.gz LLYYKBCTGLPEIX-SECBINFHSA-N 0 3 216.325 0.589 20 0 BCADHN CO[C@@H]1CN(CC[C@H](O)C(C)C)C[C@H]1O ZINC000878682134 590608836 /nfs/dbraw/zinc/60/88/36/590608836.db2.gz FJTJXOACSRSLJE-HBNTYKKESA-N 0 3 217.309 0.085 20 0 BCADHN COC[C@H]1CCCCN1CCc1nnnn1C ZINC000878691531 590610589 /nfs/dbraw/zinc/61/05/89/590610589.db2.gz DOMNGGICEJQNCM-SNVBAGLBSA-N 0 3 239.323 0.254 20 0 BCADHN NC(=O)C[C@H]1COCCN1CCCC1CC1 ZINC000878693027 590610724 /nfs/dbraw/zinc/61/07/24/590610724.db2.gz JVXHKLMTQPNCOM-NSHDSACASA-N 0 3 226.320 0.753 20 0 BCADHN C=C/C=C/CCN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000878695242 590610973 /nfs/dbraw/zinc/61/09/73/590610973.db2.gz GQCHVMJJMJWXJW-QSKOYVBTSA-N 0 3 236.315 0.708 20 0 BCADHN CC(C)[C@H](O)CCN1CCN(CCO)C[C@@H]1C ZINC000878695837 590611022 /nfs/dbraw/zinc/61/10/22/590611022.db2.gz ZJSBLBSBDHRYFU-QWHCGFSZSA-N 0 3 244.379 0.392 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCC[C@H](O)C(C)C ZINC000878706021 590612653 /nfs/dbraw/zinc/61/26/53/590612653.db2.gz PDKSJZRGESRDCC-GARJFASQSA-N 0 3 217.309 0.397 20 0 BCADHN CC(C)[C@H](O)CCN1CC[C@H](O)[C@@H](CO)C1 ZINC000878714203 590614436 /nfs/dbraw/zinc/61/44/36/590614436.db2.gz KLFXMHYQFKBEMF-UTUOFQBUSA-N 0 3 231.336 0.069 20 0 BCADHN Cn1nccc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000878712831 590614642 /nfs/dbraw/zinc/61/46/42/590614642.db2.gz UUYIDXGAUBAMFQ-PWSUYJOCSA-N 0 3 239.319 0.297 20 0 BCADHN C[C@@H]1C[C@@H](CO)CN(Cc2cnc[nH]2)C1 ZINC000878720656 590616182 /nfs/dbraw/zinc/61/61/82/590616182.db2.gz QRGQUYDXHYSIFC-NXEZZACHSA-N 0 3 209.293 0.860 20 0 BCADHN C[C@H]1C[C@@H](CO)CN(Cc2ccnn2C)C1 ZINC000878720492 590616217 /nfs/dbraw/zinc/61/62/17/590616217.db2.gz PHBKMMYMKBCVBG-WDEREUQCSA-N 0 3 223.320 0.870 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@@H](O)CC(C)(C)O ZINC000878722425 590616730 /nfs/dbraw/zinc/61/67/30/590616730.db2.gz UMUKZRSSILQXAO-MXWKQRLJSA-N 0 3 231.336 0.354 20 0 BCADHN CC1(C(N)=O)CN(C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000878757567 590618896 /nfs/dbraw/zinc/61/88/96/590618896.db2.gz PBPNAVLIOPPXNT-OUAUKWLOSA-N 0 3 238.331 0.751 20 0 BCADHN C=C/C=C/CCN1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000878770437 590620301 /nfs/dbraw/zinc/62/03/01/590620301.db2.gz PFPFBRVUXGWPOT-GKUNOOHESA-N 0 3 239.315 0.975 20 0 BCADHN O=C(COC1CC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000878780559 590621135 /nfs/dbraw/zinc/62/11/35/590621135.db2.gz UJCBASNONGCDRN-LLVKDONJSA-N 0 3 238.331 0.766 20 0 BCADHN FC1(F)[C@H]2CN(C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC000878812996 590627008 /nfs/dbraw/zinc/62/70/08/590627008.db2.gz UENABMHIHOXIEW-XHNCKOQMSA-N 0 3 240.257 0.962 20 0 BCADHN FC1(F)[C@H]2CN(C[C@H]3CCc4ncnn43)C[C@H]21 ZINC000878812994 590627364 /nfs/dbraw/zinc/62/73/64/590627364.db2.gz UENABMHIHOXIEW-HLTSFMKQSA-N 0 3 240.257 0.962 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NCC[C@@H](O)C(C)C ZINC000878914869 590642880 /nfs/dbraw/zinc/64/28/80/590642880.db2.gz AHUKOBNXLSGLIG-HBNTYKKESA-N 0 3 245.319 0.314 20 0 BCADHN C[C@@H]1CCN(CCc2nnnn2C)C[C@H](C)O1 ZINC000878954263 590661019 /nfs/dbraw/zinc/66/10/19/590661019.db2.gz UBPYSDPUMWUUGB-ZJUUUORDSA-N 0 3 239.323 0.252 20 0 BCADHN c1cc(C2CCN(CCn3cnnn3)CC2)no1 ZINC000878994090 590672973 /nfs/dbraw/zinc/67/29/73/590672973.db2.gz NEGWIZSGCGQGAY-UHFFFAOYSA-N 0 3 248.290 0.541 20 0 BCADHN CN1CCN(CCCCCCCO)[C@H](CO)C1 ZINC000879002932 590675782 /nfs/dbraw/zinc/67/57/82/590675782.db2.gz RFRDQOXVEWQQFK-ZDUSSCGKSA-N 0 3 244.379 0.538 20 0 BCADHN C[C@@H](O)CCN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879040183 590683789 /nfs/dbraw/zinc/68/37/89/590683789.db2.gz AXWDUTUFQVAMCN-PSASIEDQSA-N 0 3 232.299 0.293 20 0 BCADHN COCCCCN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879045556 590685273 /nfs/dbraw/zinc/68/52/73/590685273.db2.gz ZSTFYEWKAUPCDT-LLVKDONJSA-N 0 3 246.326 0.948 20 0 BCADHN CCOCCCN1CCC([C@H](F)C(N)=O)CC1 ZINC000879044757 590685500 /nfs/dbraw/zinc/68/55/00/590685500.db2.gz FQXNOABMVOWFSG-NSHDSACASA-N 0 3 246.326 0.948 20 0 BCADHN CO[C@@H](C)CN1CCC([C@H](F)C(N)=O)CC1 ZINC000879044145 590685618 /nfs/dbraw/zinc/68/56/18/590685618.db2.gz PWSMTGSYGGBBPQ-WPRPVWTQSA-N 0 3 232.299 0.557 20 0 BCADHN COC(=O)CCN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879050281 590686584 /nfs/dbraw/zinc/68/65/84/590686584.db2.gz NXJALLPVXYRYBB-SNVBAGLBSA-N 0 3 246.282 0.085 20 0 BCADHN CCS(=O)(=O)CCN[C@@H](C)CSC ZINC000127487404 590692544 /nfs/dbraw/zinc/69/25/44/590692544.db2.gz WUWQYHRVXUGMIF-QMMMGPOBSA-N 0 3 225.379 0.762 20 0 BCADHN CSC[C@@H](C)NCCS(C)(=O)=O ZINC000127506529 590694326 /nfs/dbraw/zinc/69/43/26/590694326.db2.gz ZEMLFXXXSVDOFZ-SSDOTTSWSA-N 0 3 211.352 0.372 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)COC2CC2)CN1C1CC1 ZINC000879120281 590699419 /nfs/dbraw/zinc/69/94/19/590699419.db2.gz ZUFVRXXAVRYTKI-ZJUUUORDSA-N 0 3 238.331 0.907 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)COC1CC1 ZINC000879143250 590701893 /nfs/dbraw/zinc/70/18/93/590701893.db2.gz DUMSTPMORLCDCS-SKDRFNHKSA-N 0 3 238.331 0.764 20 0 BCADHN CCOC(=O)[C@H]1CCCN(CC(OC)OC)C1 ZINC000127540423 590704164 /nfs/dbraw/zinc/70/41/64/590704164.db2.gz AXKGHYHVKRHEMI-JTQLQIEISA-N 0 3 245.319 0.880 20 0 BCADHN Cc1[nH]ncc1CN(C)Cc1cnn(C)n1 ZINC000879187683 590710773 /nfs/dbraw/zinc/71/07/73/590710773.db2.gz AUHBYFUTKQZUIH-UHFFFAOYSA-N 0 3 220.280 0.479 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CCC(=O)O2)[C@](C)(CO)C1 ZINC000879260876 590723313 /nfs/dbraw/zinc/72/33/13/590723313.db2.gz BGKFRBXYYGYXBI-SCVCMEIPSA-N 0 3 243.303 0.164 20 0 BCADHN Cc1cc(N2CC[C@H](O)[C@H](C)C2)nc(N)n1 ZINC000127639132 590726970 /nfs/dbraw/zinc/72/69/70/590726970.db2.gz JIFSOIUPUVAWMT-APPZFPTMSA-N 0 3 222.292 0.574 20 0 BCADHN CO[C@@H]1CC[C@@H](C)N(CCN2CCOCC2)C1 ZINC000879321132 590743235 /nfs/dbraw/zinc/74/32/35/590743235.db2.gz NUZBMNYGWXZRDB-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN CO[C@@H]1CC[C@H](C)N(CCN2CCNC2=O)C1 ZINC000879326115 590746036 /nfs/dbraw/zinc/74/60/36/590746036.db2.gz PQRFDUTVJUEQPS-WDEREUQCSA-N 0 3 241.335 0.511 20 0 BCADHN CC(C)(NCC(N)=O)[C@@H]1CCCCO1 ZINC000879407753 590763503 /nfs/dbraw/zinc/76/35/03/590763503.db2.gz COCPTBKWCXUMHX-QMMMGPOBSA-N 0 3 200.282 0.409 20 0 BCADHN COC(=O)C[C@@](C)(NCC(=O)N(C)C)C1CC1 ZINC000879439207 590770602 /nfs/dbraw/zinc/77/06/02/590770602.db2.gz POHKXGCXGVSKSX-GFCCVEGCSA-N 0 3 242.319 0.396 20 0 BCADHN CO[C@@H](C)CN(CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879486731 590779188 /nfs/dbraw/zinc/77/91/88/590779188.db2.gz PUOVSJBELXASTQ-CABZTGNLSA-N 0 3 240.347 0.997 20 0 BCADHN COC(=O)C1=NO[C@]2(CCN(C(C)C)C2)C1 ZINC000879480932 590779491 /nfs/dbraw/zinc/77/94/91/590779491.db2.gz QUOXVKAIUAHAJR-LLVKDONJSA-N 0 3 226.276 0.789 20 0 BCADHN CS(=O)(=O)CCN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879528440 590789528 /nfs/dbraw/zinc/78/95/28/590789528.db2.gz VDETVSQPHRTFEK-PHIMTYICSA-N 0 3 229.345 0.929 20 0 BCADHN CN(C)C(=O)CN1CC[C@H]2CSC[C@H]2C1 ZINC000879555439 590795989 /nfs/dbraw/zinc/79/59/89/590795989.db2.gz NTHXNXIUCPVSRQ-VHSXEESVSA-N 0 3 228.361 0.760 20 0 BCADHN c1n[nH]nc1CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879566147 590806819 /nfs/dbraw/zinc/80/68/19/590806819.db2.gz SHLYUPDGEMNFQD-RKDXNWHRSA-N 0 3 224.333 0.990 20 0 BCADHN CC(C)[C@H]1CN(Cc2cnon2)CCN1C ZINC000879601146 590824267 /nfs/dbraw/zinc/82/42/67/590824267.db2.gz KGTUOCPUPUFVDT-LLVKDONJSA-N 0 3 224.308 0.842 20 0 BCADHN CON(C)C(=O)CN1CCN(C)[C@@H](C(C)C)C1 ZINC000879601328 590826602 /nfs/dbraw/zinc/82/66/02/590826602.db2.gz NLDKGAMYNDGUTE-LLVKDONJSA-N 0 3 243.351 0.278 20 0 BCADHN CCCCCC[C@H](O)CN1CC[C@@H](O)[C@@H](O)C1 ZINC000879608734 590828610 /nfs/dbraw/zinc/82/86/10/590828610.db2.gz VKYRXRWJEZSRRT-XQQFMLRXSA-N 0 3 245.363 0.745 20 0 BCADHN CO[C@@H](CN1CC[C@@H](O)[C@@H](O)C1)C1CCC1 ZINC000879608716 590828846 /nfs/dbraw/zinc/82/88/46/590828846.db2.gz UNMHXBBILNYAIW-WOPDTQHZSA-N 0 3 229.320 0.229 20 0 BCADHN O[C@@H]1CCN(CCc2cccnc2)C[C@@H]1O ZINC000879609325 590828917 /nfs/dbraw/zinc/82/89/17/590828917.db2.gz QZYPQXDBEJCJOO-NEPJUHHUSA-N 0 3 222.288 0.052 20 0 BCADHN OCCCCCCCN1CC[C@@H](O)[C@@H](O)C1 ZINC000879612365 590829534 /nfs/dbraw/zinc/82/95/34/590829534.db2.gz YCFQWGADUFIXMX-NEPJUHHUSA-N 0 3 231.336 0.357 20 0 BCADHN O[C@@H]1CCN(CCCc2ccncc2)C[C@@H]1O ZINC000879610963 590829600 /nfs/dbraw/zinc/82/96/00/590829600.db2.gz XBLQDIVQXZNKHD-OLZOCXBDSA-N 0 3 236.315 0.442 20 0 BCADHN COCCCCCN1CC[C@@H](O)[C@@H](O)C1 ZINC000879610971 590829759 /nfs/dbraw/zinc/82/97/59/590829759.db2.gz CAZPKFOLHVVBMS-MNOVXSKESA-N 0 3 217.309 0.231 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@H](O)CC(C)(C)C1 ZINC000879616191 590831656 /nfs/dbraw/zinc/83/16/56/590831656.db2.gz UAQKXZDHQAJQEZ-NXEZZACHSA-N 0 3 228.336 0.556 20 0 BCADHN CC1(C)C[C@@H](O)CN(CCN2CCNC2=O)C1 ZINC000879623542 590836951 /nfs/dbraw/zinc/83/69/51/590836951.db2.gz CPQNMJCYPZOQAL-SNVBAGLBSA-N 0 3 241.335 0.104 20 0 BCADHN CC1(C)C[C@H](O)CN(C[C@H]2COCCO2)C1 ZINC000879624186 590837308 /nfs/dbraw/zinc/83/73/08/590837308.db2.gz OGYFWGNCCLLAOK-QWRGUYRKSA-N 0 3 229.320 0.495 20 0 BCADHN CC1(C)C[C@@H](O)CN(C[C@@H]2CCC(=O)N2)C1 ZINC000879624236 590838145 /nfs/dbraw/zinc/83/81/45/590838145.db2.gz PFBQQCDHIDBIIR-VHSXEESVSA-N 0 3 226.320 0.358 20 0 BCADHN CC(C)(O)C[C@H](O)CN1C[C@H](O)CC(C)(C)C1 ZINC000879625460 590840316 /nfs/dbraw/zinc/84/03/16/590840316.db2.gz WLGUXAAOMTZGBM-MNOVXSKESA-N 0 3 245.363 0.601 20 0 BCADHN C[C@@H](NCC[C@@H]1CCNC1=O)c1ccnn1C ZINC000879686362 590848071 /nfs/dbraw/zinc/84/80/71/590848071.db2.gz BMNOXOMUEBXFLN-NXEZZACHSA-N 0 3 236.319 0.597 20 0 BCADHN C[C@@H](NC[C@@H]1CCc2ncnn21)c1ccnn1C ZINC000879687995 590849693 /nfs/dbraw/zinc/84/96/93/590849693.db2.gz ZTCLMPVGSATZMC-ZJUUUORDSA-N 0 3 246.318 0.850 20 0 BCADHN C[C@H](NC[C@H]1CCc2ncnn21)c1ccnn1C ZINC000879687994 590849867 /nfs/dbraw/zinc/84/98/67/590849867.db2.gz ZTCLMPVGSATZMC-VHSXEESVSA-N 0 3 246.318 0.850 20 0 BCADHN CCON(CC)C[C@@H](O)CN(C)C1CC1 ZINC000879799264 590877227 /nfs/dbraw/zinc/87/72/27/590877227.db2.gz KTEBQAMAVOCKCD-NSHDSACASA-N 0 3 216.325 0.715 20 0 BCADHN CN(C)CC1(NC(=O)COC2CC2)CCC1 ZINC000879859990 590884646 /nfs/dbraw/zinc/88/46/46/590884646.db2.gz BGYNWDYEBXQYSD-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN COC[C@@H](C)N1CCC(CO)(CO)CC1 ZINC000879969907 590900786 /nfs/dbraw/zinc/90/07/86/590900786.db2.gz RHXIBBYCZIKLDW-SNVBAGLBSA-N 0 3 217.309 0.088 20 0 BCADHN CC(C)OCCCN1CCC(CO)(CO)CC1 ZINC000879967973 590900943 /nfs/dbraw/zinc/90/09/43/590900943.db2.gz HHHJCTVQXJFJEN-UHFFFAOYSA-N 0 3 245.363 0.868 20 0 BCADHN CC(=O)CCN1CCC(CO)(CO)CC1 ZINC000879968241 590901458 /nfs/dbraw/zinc/90/14/58/590901458.db2.gz KVVDRVMZMYAQMC-UHFFFAOYSA-N 0 3 215.293 0.032 20 0 BCADHN CSCCN1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880070552 590916465 /nfs/dbraw/zinc/91/64/65/590916465.db2.gz IYUOXETYAICPEO-WDEREUQCSA-N 0 3 230.377 0.490 20 0 BCADHN OC[C@H]1CN2CCC[C@H]2CN1C[C@H]1CCCO1 ZINC000880070187 590917398 /nfs/dbraw/zinc/91/73/98/590917398.db2.gz AUEYVNWTCOPKHV-YNEHKIRRSA-N 0 3 240.347 0.306 20 0 BCADHN Cc1nccnc1[C@@H](C)NCC[C@@H]1CCNC1=O ZINC000880109054 590927723 /nfs/dbraw/zinc/92/77/23/590927723.db2.gz OQXWFJCDQZOYGV-MWLCHTKSSA-N 0 3 248.330 0.962 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2CC1OCCO1 ZINC000880135978 590933408 /nfs/dbraw/zinc/93/34/08/590933408.db2.gz CZDYAUFLZSORTJ-WDEREUQCSA-N 0 3 226.320 0.528 20 0 BCADHN Cn1cc(CN2CC[C@@H]3[C@@H]2CCCN3C)nn1 ZINC000880137313 590939662 /nfs/dbraw/zinc/93/96/62/590939662.db2.gz BNYMNHQYVDXYOO-NEPJUHHUSA-N 0 3 235.335 0.484 20 0 BCADHN Cc1nnc(CN2CC[C@@H]3[C@H]2CCCN3C)[nH]1 ZINC000880143028 590943929 /nfs/dbraw/zinc/94/39/29/590943929.db2.gz XKWQJDHARPJTGR-GHMZBOCLSA-N 0 3 235.335 0.782 20 0 BCADHN CCN(C#N)CCN1CC[C@H](C(C)(C)O)C1 ZINC000880149564 590946010 /nfs/dbraw/zinc/94/60/10/590946010.db2.gz FOJGQBCIEAFGHJ-NSHDSACASA-N 0 3 225.336 0.882 20 0 BCADHN C[C@@H](O)CN1CCNC(=O)CC12CCC2 ZINC000880168031 590948606 /nfs/dbraw/zinc/94/86/06/590948606.db2.gz YEKNVRIPIXNMRH-SECBINFHSA-N 0 3 212.293 0.112 20 0 BCADHN CC(C)(O)CCN1CCNC(=O)CC12CCC2 ZINC000880167181 590949346 /nfs/dbraw/zinc/94/93/46/590949346.db2.gz ITCHAPLGBQOTLB-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN COCC1(N(C)CCN2CCNC2=O)CCC1 ZINC000880185339 590952275 /nfs/dbraw/zinc/95/22/75/590952275.db2.gz NCUPTUFWFBNUEE-UHFFFAOYSA-N 0 3 241.335 0.513 20 0 BCADHN COCC1(N(C)CCc2nnnn2C)CCC1 ZINC000880184421 590952651 /nfs/dbraw/zinc/95/26/51/590952651.db2.gz FOVHSFAFXSLGHG-UHFFFAOYSA-N 0 3 239.323 0.254 20 0 BCADHN COCC1(N(C)C[C@@H]2CCC(=O)N2)CCC1 ZINC000880185010 590953008 /nfs/dbraw/zinc/95/30/08/590953008.db2.gz BOHSBQQOIYQEOD-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN O=C1CNC(=O)N1CCN1CCC[C@H](CF)C1 ZINC000880232582 590963243 /nfs/dbraw/zinc/96/32/43/590963243.db2.gz NXHUXBBNHYTTQD-SECBINFHSA-N 0 3 243.282 0.220 20 0 BCADHN O=C1CCC(=O)N1CCN1CCC[C@H](CF)C1 ZINC000880232635 590963882 /nfs/dbraw/zinc/96/38/82/590963882.db2.gz PBRIFRRKLNOVII-SNVBAGLBSA-N 0 3 242.294 0.817 20 0 BCADHN O=C1CC[C@H](N2CCC[C@@H](CF)C2)C(=O)N1 ZINC000880237303 590968071 /nfs/dbraw/zinc/96/80/71/590968071.db2.gz UWJWZZBZVFZFND-IUCAKERBSA-N 0 3 228.267 0.473 20 0 BCADHN CN(C)CC(C)(C)NC(=O)COC1CC1 ZINC000880257632 590979436 /nfs/dbraw/zinc/97/94/36/590979436.db2.gz FVZFGWBYIBDXIY-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CC[C@H](CF)C1 ZINC000880298753 590992295 /nfs/dbraw/zinc/99/22/95/590992295.db2.gz JKQAUWWLNYLVIF-KOLCDFICSA-N 0 3 233.283 0.592 20 0 BCADHN O=C1CC[C@@H](N2CC[C@@H](CF)C2)C(=O)N1 ZINC000880299279 590994630 /nfs/dbraw/zinc/99/46/30/590994630.db2.gz QXRXVOWTRDQOGF-JGVFFNPUSA-N 0 3 214.240 0.083 20 0 BCADHN COC(=O)[C@]12CCC[C@H]1CN([C@H](C)C(N)=O)C2 ZINC000880325777 591005403 /nfs/dbraw/zinc/00/54/03/591005403.db2.gz SKNXXKMFCCUESU-PTRXPTGYSA-N 0 3 240.303 0.135 20 0 BCADHN O=C1O[C@H](CN2C[C@H]3C[C@@]3(O)C2)CC12CCC2 ZINC000880418725 591027714 /nfs/dbraw/zinc/02/77/14/591027714.db2.gz DJOFOCUBYDHWQO-GBIKHYSHSA-N 0 3 237.299 0.539 20 0 BCADHN O=C1O[C@H](CN2C[C@H]3C[C@@]3(O)C2)CC12CC2 ZINC000880419956 591028721 /nfs/dbraw/zinc/02/87/21/591028721.db2.gz UKPZPKJWZUWLDM-VDDIYKPWSA-N 0 3 223.272 0.149 20 0 BCADHN O[C@@H](CN1C[C@H]2C[C@@]2(O)C1)c1ccccc1 ZINC000880419894 591029253 /nfs/dbraw/zinc/02/92/53/591029253.db2.gz SGOGPTPQQMWFRI-FRRDWIJNSA-N 0 3 219.284 0.787 20 0 BCADHN CO[C@@H]1COCC[C@H]1N(C)Cc1cnn(C)c1 ZINC000880428688 591032451 /nfs/dbraw/zinc/03/24/51/591032451.db2.gz RXKNPXMGOFXIOW-VXGBXAGGSA-N 0 3 239.319 0.656 20 0 BCADHN COC(CN(C)[C@H]1CCOC[C@@H]1OC)OC ZINC000880432426 591034993 /nfs/dbraw/zinc/03/49/93/591034993.db2.gz NWNAPTNEVOOCDV-UWVGGRQHSA-N 0 3 233.308 0.341 20 0 BCADHN C[C@@H]1CC[C@H](CO)N1CC(=O)NC1CC1 ZINC000880442929 591039409 /nfs/dbraw/zinc/03/94/09/591039409.db2.gz YJFZVFDHZNZLCV-PSASIEDQSA-N 0 3 212.293 0.110 20 0 BCADHN COC(CN1CCC[C@@](C)(O)C1)OC ZINC000128437509 591040401 /nfs/dbraw/zinc/04/04/01/591040401.db2.gz GUMFSXOVRVRYJO-SNVBAGLBSA-N 0 3 203.282 0.452 20 0 BCADHN CO[C@@H]1COCC[C@@H]1N(C)C[C@@H]1CCC(=O)O1 ZINC000880438003 591040830 /nfs/dbraw/zinc/04/08/30/591040830.db2.gz VPGHXRPQMMFFRK-GARJFASQSA-N 0 3 243.303 0.428 20 0 BCADHN CO[C@@H]1COCC[C@H]1N(C)C[C@@H]1CCC(=O)O1 ZINC000880438005 591040895 /nfs/dbraw/zinc/04/08/95/591040895.db2.gz VPGHXRPQMMFFRK-HBNTYKKESA-N 0 3 243.303 0.428 20 0 BCADHN C[C@@H]1CC[C@H](CO)N1CC1OCCO1 ZINC000880439932 591042940 /nfs/dbraw/zinc/04/29/40/591042940.db2.gz NOLFLVFKRNJXCF-RKDXNWHRSA-N 0 3 201.266 0.205 20 0 BCADHN CC(C)NC(=O)CCN1CC=C[C@H]1CO ZINC000880484973 591058626 /nfs/dbraw/zinc/05/86/26/591058626.db2.gz CHPGYTYZGNETGW-JTQLQIEISA-N 0 3 212.293 0.134 20 0 BCADHN Cn1cc(CCN2CC=C[C@H]2CO)cn1 ZINC000880486943 591063470 /nfs/dbraw/zinc/06/34/70/591063470.db2.gz RJLBTVWZAVGVBM-NSHDSACASA-N 0 3 207.277 0.195 20 0 BCADHN OC[C@@H]1C=CCN1CCC1OCCCO1 ZINC000880487731 591063895 /nfs/dbraw/zinc/06/38/95/591063895.db2.gz ZOTKUGZETSCFRJ-JTQLQIEISA-N 0 3 213.277 0.372 20 0 BCADHN CCOC(=O)CCCCN1CC=C[C@@H]1CO ZINC000880487605 591064702 /nfs/dbraw/zinc/06/47/02/591064702.db2.gz WUDHDUAZWXTYIC-LLVKDONJSA-N 0 3 227.304 0.953 20 0 BCADHN Cn1cncc1CCCN1CC=C[C@@H]1CO ZINC000880492266 591068683 /nfs/dbraw/zinc/06/86/83/591068683.db2.gz PKDYCLOHRSWHGW-GFCCVEGCSA-N 0 3 221.304 0.585 20 0 BCADHN O=C1O[C@H](CN2CC=C[C@H]2CO)CC12CC2 ZINC000880492818 591070472 /nfs/dbraw/zinc/07/04/72/591070472.db2.gz VSYTYILPKIODBR-UWVGGRQHSA-N 0 3 223.272 0.315 20 0 BCADHN O=C1NCC[C@@H]2CCCN(CC3CC3)[C@@H]12 ZINC000880525806 591084444 /nfs/dbraw/zinc/08/44/44/591084444.db2.gz INDYWAVULHKOKP-WDEREUQCSA-N 0 3 208.305 0.997 20 0 BCADHN O=C1NCC[C@@H]2CCCN(C[C@H]3CCCO3)[C@H]12 ZINC000880530877 591085278 /nfs/dbraw/zinc/08/52/78/591085278.db2.gz IFIVABPEUWIMKC-TUAOUCFPSA-N 0 3 238.331 0.766 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CCSC(C)C)C1 ZINC000880565212 591093789 /nfs/dbraw/zinc/09/37/89/591093789.db2.gz JDEIGGWSTGSLNE-LLVKDONJSA-N 0 3 247.360 0.738 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CCCCCCO)C1 ZINC000880562571 591093921 /nfs/dbraw/zinc/09/39/21/591093921.db2.gz OFKGKIXFACCTTH-GFCCVEGCSA-N 0 3 245.319 0.149 20 0 BCADHN CCSCCN1CC[C@@](O)(C(=O)OC)C1 ZINC000880562501 591094115 /nfs/dbraw/zinc/09/41/15/591094115.db2.gz MNXUVRBXNVKTSH-JTQLQIEISA-N 0 3 233.333 0.349 20 0 BCADHN COC(=O)[C@]1(O)CCN(C[C@H]2CC[C@H](C)O2)C1 ZINC000880565759 591095906 /nfs/dbraw/zinc/09/59/06/591095906.db2.gz HOCZPNQSUTWYQO-UMNHJUIQSA-N 0 3 243.303 0.164 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CC[C@@H](O)C(C)C)C1 ZINC000880567888 591097747 /nfs/dbraw/zinc/09/77/47/591097747.db2.gz QSHWNVUQQKXQDA-ZYHUDNBSSA-N 0 3 245.319 0.003 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CC[C@H](O)C(C)C)C1 ZINC000880567885 591097881 /nfs/dbraw/zinc/09/78/81/591097881.db2.gz QSHWNVUQQKXQDA-CMPLNLGQSA-N 0 3 245.319 0.003 20 0 BCADHN COC(=O)[C@]1(O)CCN(CC[C@@H](O)C(C)C)C1 ZINC000880567887 591098086 /nfs/dbraw/zinc/09/80/86/591098086.db2.gz QSHWNVUQQKXQDA-PWSUYJOCSA-N 0 3 245.319 0.003 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)CCCCCO ZINC000880588415 591101550 /nfs/dbraw/zinc/10/15/50/591101550.db2.gz VEDDTEDWYMXJQJ-NSHDSACASA-N 0 3 230.352 0.981 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)CC[C@H](C)O ZINC000880590069 591102752 /nfs/dbraw/zinc/10/27/52/591102752.db2.gz KPQIJPWHGXXKNF-UWVGGRQHSA-N 0 3 216.325 0.589 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)CC[C@@H](C)O ZINC000880590071 591103460 /nfs/dbraw/zinc/10/34/60/591103460.db2.gz KPQIJPWHGXXKNF-ZJUUUORDSA-N 0 3 216.325 0.589 20 0 BCADHN CN(C)CC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000880614072 591111113 /nfs/dbraw/zinc/11/11/13/591111113.db2.gz QGYYMBMRUCSXQL-NSHDSACASA-N 0 3 241.379 0.737 20 0 BCADHN CN1CCC(C(=O)NC2CSC2)CC1 ZINC000880737401 591134914 /nfs/dbraw/zinc/13/49/14/591134914.db2.gz SCXLVQSKYKPEEJ-UHFFFAOYSA-N 0 3 214.334 0.560 20 0 BCADHN CN(C)CCOCCNC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000888857466 591157506 /nfs/dbraw/zinc/15/75/06/591157506.db2.gz ANNUGWFYFUBCRC-PHIMTYICSA-N 0 3 241.335 0.226 20 0 BCADHN CC[C@@](C)(N)c1cn(CCC2OCCO2)nn1 ZINC000881195123 591168154 /nfs/dbraw/zinc/16/81/54/591168154.db2.gz YDCOVJXUPSBSID-LLVKDONJSA-N 0 3 240.307 0.625 20 0 BCADHN CCC[C@@H](N)c1cn(CC(=O)N(C)OC)nn1 ZINC000881197668 591169265 /nfs/dbraw/zinc/16/92/65/591169265.db2.gz KEWKTFVFQRSCFL-MRVPVSSYSA-N 0 3 241.295 0.098 20 0 BCADHN C[C@@H](N)c1cn(CC(=O)NCC(C)(C)C)nn1 ZINC000881326813 591192509 /nfs/dbraw/zinc/19/25/09/591192509.db2.gz AGXPOLDDCVRQSF-MRVPVSSYSA-N 0 3 239.323 0.460 20 0 BCADHN C[C@@H](N)c1cn([C@@H]2CCN(C3CCC3)C2=O)nn1 ZINC000881335894 591194038 /nfs/dbraw/zinc/19/40/38/591194038.db2.gz LVIJOAIVJZVMGS-LDYMZIIASA-N 0 3 249.318 0.624 20 0 BCADHN C[C@@H](N)c1cn(CC(=O)Nc2ccccn2)nn1 ZINC000881350471 591194805 /nfs/dbraw/zinc/19/48/05/591194805.db2.gz CWKWIMNIAFITIA-MRVPVSSYSA-N 0 3 246.274 0.332 20 0 BCADHN C[C@@H](N)c1cn(Cc2ccnc(N(C)C)c2)nn1 ZINC000881365364 591195938 /nfs/dbraw/zinc/19/59/38/591195938.db2.gz CNLSSKCLCIRTDI-SECBINFHSA-N 0 3 246.318 0.807 20 0 BCADHN COC(=O)CC1(Cn2cc([C@@H](C)N)nn2)CC1 ZINC000881361194 591196159 /nfs/dbraw/zinc/19/61/59/591196159.db2.gz LYZCEWYNQQYZLA-MRVPVSSYSA-N 0 3 238.291 0.641 20 0 BCADHN C[C@H](N)c1cn(CC[C@H]2COC(C)(C)O2)nn1 ZINC000881395282 591200793 /nfs/dbraw/zinc/20/07/93/591200793.db2.gz RTICFVDJZHGELG-IUCAKERBSA-N 0 3 240.307 0.839 20 0 BCADHN O=C(NC[C@@H]1C=CCC1)[C@H]1CN2CCN1CCC2 ZINC000881494863 591218162 /nfs/dbraw/zinc/21/81/62/591218162.db2.gz DMCKSUYTNFEFGM-CHWSQXEVSA-N 0 3 249.358 0.459 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1C[C@H](OC)C1)N(C)C ZINC000881575604 591239254 /nfs/dbraw/zinc/23/92/54/591239254.db2.gz PTSQBTNZXHOGKO-DCAQKATOSA-N 0 3 228.336 0.868 20 0 BCADHN C=C/C=C\CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000881568073 591242880 /nfs/dbraw/zinc/24/28/80/591242880.db2.gz IHOSQZGNCAJMEN-DHCBQETCSA-N 0 3 249.358 0.625 20 0 BCADHN C=C/C=C/CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000881568074 591242885 /nfs/dbraw/zinc/24/28/85/591242885.db2.gz IHOSQZGNCAJMEN-ITDFMYJTSA-N 0 3 249.358 0.625 20 0 BCADHN CC(C(=O)N1CCC(F)CC1)S(C)(=O)=O ZINC000881609910 591255737 /nfs/dbraw/zinc/25/57/37/591255737.db2.gz MXLUPFKIKNDRQR-ZETCQYMHSA-N 0 3 237.296 0.380 20 0 BCADHN Cc1ncnc(NC[C@H](O)CN(C)C)c1C ZINC000881796151 591271606 /nfs/dbraw/zinc/27/16/06/591271606.db2.gz UKOHGXFGJYEIIA-JTQLQIEISA-N 0 3 224.308 0.428 20 0 BCADHN C[C@@H](CNc1ncc(C=O)cn1)N(C)C ZINC000881796577 591271862 /nfs/dbraw/zinc/27/18/62/591271862.db2.gz BZLALYFMDXBXET-QMMMGPOBSA-N 0 3 208.265 0.651 20 0 BCADHN Cc1cncnc1NC[C@H](O)CN(C)C ZINC000881795851 591271999 /nfs/dbraw/zinc/27/19/99/591271999.db2.gz OXWXRRZBCRSMQF-VIFPVBQESA-N 0 3 210.281 0.119 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@@H](O)c1ccco1 ZINC000129263118 591273001 /nfs/dbraw/zinc/27/30/01/591273001.db2.gz VUKKZLJGYKTLET-JGVFFNPUSA-N 0 3 212.249 0.167 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](O)c1ccccc1F ZINC000129294558 591275797 /nfs/dbraw/zinc/27/57/97/591275797.db2.gz ASAGUULQHRHHJL-MNOVXSKESA-N 0 3 240.278 0.713 20 0 BCADHN CN1CCC[C@@H](CNS(=O)(=O)C2CCC2)C1 ZINC000881873092 591276253 /nfs/dbraw/zinc/27/62/53/591276253.db2.gz WDAOBNCJSHYIMH-JTQLQIEISA-N 0 3 246.376 0.800 20 0 BCADHN COCCN1[C@H](C)CN(CCCO)C[C@@H]1C ZINC000129434597 591293914 /nfs/dbraw/zinc/29/39/14/591293914.db2.gz GELMWZNHNZZFNM-TXEJJXNPSA-N 0 3 230.352 0.410 20 0 BCADHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)C1CCC1 ZINC000882222246 591317411 /nfs/dbraw/zinc/31/74/11/591317411.db2.gz ZXWGVJYVEUQAPH-GXSJLCMTSA-N 0 3 246.376 0.893 20 0 BCADHN CCN1CC[C@H]1CNC(=O)C1(N(C)C)CC1 ZINC000882493562 591375038 /nfs/dbraw/zinc/37/50/38/591375038.db2.gz JGDSBULGSCMLLA-JTQLQIEISA-N 0 3 225.336 0.291 20 0 BCADHN CO[C@H]1CCC[C@H]1NCc1cnnn1C ZINC000129734686 591391756 /nfs/dbraw/zinc/39/17/56/591391756.db2.gz OJIKVGIPDZINGA-ZJUUUORDSA-N 0 3 210.281 0.472 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H](O)CC[C@H]1C)N(C)C ZINC000882709695 591416558 /nfs/dbraw/zinc/41/65/58/591416558.db2.gz SXUOBGXUVVOCRH-VWYCJHECSA-N 0 3 228.336 0.698 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](O)c1ccsc1 ZINC000129993125 591428284 /nfs/dbraw/zinc/42/82/84/591428284.db2.gz HUPYCTZZNJODDT-BDAKNGLRSA-N 0 3 228.317 0.635 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCN(C)C1 ZINC000130248408 591451481 /nfs/dbraw/zinc/45/14/81/591451481.db2.gz HYRMJHDETCSCIE-VHSXEESVSA-N 0 3 234.365 0.103 20 0 BCADHN C[S@](=O)CCCNCc1ccncc1N ZINC000883008203 591504659 /nfs/dbraw/zinc/50/46/59/591504659.db2.gz UAUKMHVHLBTCFW-HNNXBMFYSA-N 0 3 227.333 0.522 20 0 BCADHN CCn1cncc1CN[C@H](CO)C1CC1 ZINC000883002251 591504740 /nfs/dbraw/zinc/50/47/40/591504740.db2.gz BCFDMHUIKNWYRP-LLVKDONJSA-N 0 3 209.293 0.764 20 0 BCADHN CN(C)CCNC(=O)C[C@H]1CSCCS1 ZINC000130980787 591539018 /nfs/dbraw/zinc/53/90/18/591539018.db2.gz VZHRPJGJVLVIQO-VIFPVBQESA-N 0 3 248.417 0.903 20 0 BCADHN O=c1oc2ccc(CN[C@@H]3CC[C@H]3O)cc2o1 ZINC000883150428 591553441 /nfs/dbraw/zinc/55/34/41/591553441.db2.gz HNMGPTBBZRRRRJ-RKDXNWHRSA-N 0 3 235.239 0.999 20 0 BCADHN CON(C)CCNCc1c(C2CC2)cnn1C ZINC000883170741 591559488 /nfs/dbraw/zinc/55/94/88/591559488.db2.gz BCWHSGSSLGHGBB-UHFFFAOYSA-N 0 3 238.335 0.880 20 0 BCADHN CON(C)CCNCc1ccc(F)nc1 ZINC000883171661 591560815 /nfs/dbraw/zinc/56/08/15/591560815.db2.gz FBYCKYAUZANJEG-UHFFFAOYSA-N 0 3 213.256 0.804 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cccc(F)c1N ZINC000883196626 591569715 /nfs/dbraw/zinc/56/97/15/591569715.db2.gz SRFSRHVLZJAYSX-XVKPBYJWSA-N 0 3 228.267 0.239 20 0 BCADHN CCn1nncc1CNC[C@H]1C[C@H](OC)C1 ZINC000883262092 591600224 /nfs/dbraw/zinc/60/02/24/591600224.db2.gz WGUZVEMAQOVWOF-HOMQSWHASA-N 0 3 224.308 0.813 20 0 BCADHN CCCCCCN(C)CC(=O)N(C)CCO ZINC000131589193 591624100 /nfs/dbraw/zinc/62/41/00/591624100.db2.gz PDPPRHMNVLYVPD-UHFFFAOYSA-N 0 3 230.352 0.949 20 0 BCADHN CN(CC(=O)N1CCCC1)C[C@@H]1C[C@H](F)CN1 ZINC000883419682 591655255 /nfs/dbraw/zinc/65/52/55/591655255.db2.gz RSRGTDVBGSFABP-QWRGUYRKSA-N 0 3 243.326 0.241 20 0 BCADHN COc1ccc([C@H]2CNCCN2CC(N)=O)cc1 ZINC000883451281 591672222 /nfs/dbraw/zinc/67/22/22/591672222.db2.gz LEINDADGHNYDQR-GFCCVEGCSA-N 0 3 249.314 0.127 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H](CCO)C1CC1 ZINC000132281037 591698153 /nfs/dbraw/zinc/69/81/53/591698153.db2.gz QZPNYTSLMKSIPR-ONGXEEELSA-N 0 3 249.376 0.560 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H](CCO)C1CC1 ZINC000132280834 591698262 /nfs/dbraw/zinc/69/82/62/591698262.db2.gz QZPNYTSLMKSIPR-KOLCDFICSA-N 0 3 249.376 0.560 20 0 BCADHN CN1CCC(NC(=O)C(C)(C)F)CC1 ZINC000132543128 591718378 /nfs/dbraw/zinc/71/83/78/591718378.db2.gz MVHOMIABWKGCOC-UHFFFAOYSA-N 0 3 202.273 0.945 20 0 BCADHN Cc1cc(N[C@@H](C)CC[S@@](C)=O)nc(N)n1 ZINC000133058049 591761897 /nfs/dbraw/zinc/76/18/97/591761897.db2.gz OINGVHKBHRIGLZ-GYKQLYQFSA-N 0 3 242.348 0.936 20 0 BCADHN C=C/C=C/CCNC(=O)NCCN(C)C ZINC000883915537 591769145 /nfs/dbraw/zinc/76/91/45/591769145.db2.gz RMYGUNFONCLXJM-AATRIKPKSA-N 0 3 211.309 0.980 20 0 BCADHN C=C/C=C\CCNC(=O)NCCN(C)C ZINC000883915538 591769435 /nfs/dbraw/zinc/76/94/35/591769435.db2.gz RMYGUNFONCLXJM-WAYWQWQTSA-N 0 3 211.309 0.980 20 0 BCADHN CCN1CCC[C@H]1CNC(=S)NCCCO ZINC000884003620 591793124 /nfs/dbraw/zinc/79/31/24/591793124.db2.gz CGZLWKUBPGYWAR-JTQLQIEISA-N 0 3 245.392 0.317 20 0 BCADHN C[C@@H](C(=O)N1CCNCC1(C)C)c1cncnc1 ZINC000884038127 591819816 /nfs/dbraw/zinc/81/98/16/591819816.db2.gz XPRROMOZKAYLTE-SNVBAGLBSA-N 0 3 248.330 0.791 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000884048912 591827266 /nfs/dbraw/zinc/82/72/66/591827266.db2.gz ZYECEPDPVWDTDQ-ZDCRXTMVSA-N 0 3 228.336 0.901 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000884076121 591844165 /nfs/dbraw/zinc/84/41/65/591844165.db2.gz RZWSHXYHGBIODX-AEJSXWLSSA-N 0 3 214.309 0.655 20 0 BCADHN CC(C)(CN)c1nc(-c2ncccn2)no1 ZINC000133749383 591852552 /nfs/dbraw/zinc/85/25/52/591852552.db2.gz HCRNBRQIEOULQX-UHFFFAOYSA-N 0 3 219.248 0.763 20 0 BCADHN Cc1noc([C@H](C)NC(=O)[C@@H](N)CC2CC2)n1 ZINC000884113583 591853335 /nfs/dbraw/zinc/85/33/35/591853335.db2.gz VHNCLLSJYBYDQB-RCOVLWMOSA-N 0 3 238.291 0.683 20 0 BCADHN CC[C@H]1C[C@H](C)CN1C(=O)[C@H](CN)OC ZINC000884143347 591861238 /nfs/dbraw/zinc/86/12/38/591861238.db2.gz FMPOZENKKULTRC-GUBZILKMSA-N 0 3 214.309 0.607 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CC[C@H](SC)C1 ZINC000884160269 591864665 /nfs/dbraw/zinc/86/46/65/591864665.db2.gz ZBHZHXVEIMUBRI-VGMNWLOBSA-N 0 3 232.349 0.360 20 0 BCADHN Cn1cccc(NC(=O)[C@@H](N)CC2CC2)c1=O ZINC000884134276 591858277 /nfs/dbraw/zinc/85/82/77/591858277.db2.gz BJSBQJPJQACZOY-VIFPVBQESA-N 0 3 235.287 0.451 20 0 BCADHN COC(=O)CC(C)(C)NC(=O)[C@H](N)CC1CC1 ZINC000884141790 591861098 /nfs/dbraw/zinc/86/10/98/591861098.db2.gz JFBAXYIPYQDOOH-SECBINFHSA-N 0 3 242.319 0.572 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCS[C@H](C)[C@H]1C ZINC000884143985 591862671 /nfs/dbraw/zinc/86/26/71/591862671.db2.gz XOGUEVLZBSKICA-HLTSFMKQSA-N 0 3 232.349 0.313 20 0 BCADHN CCCC[C@H](COC)NC(=O)[C@@H](N)CCOC ZINC000884146584 591862725 /nfs/dbraw/zinc/86/27/25/591862725.db2.gz MJQSIMHYGRYRLB-MNOVXSKESA-N 0 3 246.351 0.672 20 0 BCADHN COC(=O)[C@H](NC(=O)[C@@H](N)CC1CC1)C1CC1 ZINC000884152500 591863396 /nfs/dbraw/zinc/86/33/96/591863396.db2.gz NBVYWACBFPLFOI-VHSXEESVSA-N 0 3 240.303 0.182 20 0 BCADHN CO[C@@H](CN)C(=O)N1C[C@H](C)C[C@H]1C ZINC000884151141 591863434 /nfs/dbraw/zinc/86/34/34/591863434.db2.gz FKAPPLLJVTVNNM-HLTSFMKQSA-N 0 3 200.282 0.217 20 0 BCADHN COCC[C@@H](N)C(=O)N[C@H](C)CC(C)(C)OC ZINC000884153122 591863477 /nfs/dbraw/zinc/86/34/77/591863477.db2.gz CZSGRPNRPWSECB-NXEZZACHSA-N 0 3 246.351 0.670 20 0 BCADHN C([C@H]1CCOC1)N1CCCC2(C1)OCCO2 ZINC000134097928 591887180 /nfs/dbraw/zinc/88/71/80/591887180.db2.gz VRBWFGIHBXCAOL-LLVKDONJSA-N 0 3 227.304 0.862 20 0 BCADHN CCCNC(=O)CN[C@@](C)(CC)CC(=O)OC ZINC000134159182 591893120 /nfs/dbraw/zinc/89/31/20/591893120.db2.gz FSZKZHJUMVEMFK-LBPRGKRZSA-N 0 3 244.335 0.834 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1CCNC[C@@H]1C(F)F ZINC000884289937 591894492 /nfs/dbraw/zinc/89/44/92/591894492.db2.gz NLRPMRSKAADEFN-DTWKUNHWSA-N 0 3 247.289 0.179 20 0 BCADHN COCC[C@H](N)C(=O)N1CCNc2ccccc21 ZINC000884290427 591895055 /nfs/dbraw/zinc/89/50/55/591895055.db2.gz AMXDYVOAHROCIM-JTQLQIEISA-N 0 3 249.314 0.809 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000884298954 591897819 /nfs/dbraw/zinc/89/78/19/591897819.db2.gz ICLXMIUKNUNTJO-XHNCKOQMSA-N 0 3 248.273 0.525 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000884298955 591897889 /nfs/dbraw/zinc/89/78/89/591897889.db2.gz ICLXMIUKNUNTJO-YIZRAAEISA-N 0 3 248.273 0.525 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCc2cc(C)ccc21 ZINC000884315136 591901426 /nfs/dbraw/zinc/90/14/26/591901426.db2.gz HLXOXCZEHFUGQT-LBPRGKRZSA-N 0 3 234.299 0.858 20 0 BCADHN COC(=O)C1(CNC(=O)[C@H](N)CC2CC2)CC1 ZINC000884313108 591902037 /nfs/dbraw/zinc/90/20/37/591902037.db2.gz WKXCZZVKWISMLM-SECBINFHSA-N 0 3 240.303 0.183 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000884332918 591904527 /nfs/dbraw/zinc/90/45/27/591904527.db2.gz ZCKUPNBZJLVNKL-GMXVVIOVSA-N 0 3 240.347 0.999 20 0 BCADHN CN[C@@H](CC(C)C)C(=O)Nc1nnc(C)n1C ZINC000884332564 591905212 /nfs/dbraw/zinc/90/52/12/591905212.db2.gz QCEOFZIALLDKBW-VIFPVBQESA-N 0 3 239.323 0.696 20 0 BCADHN Cc1ccc(C(=O)NC[C@@H]2CNCCO2)n1C ZINC000134255721 591906955 /nfs/dbraw/zinc/90/69/55/591906955.db2.gz DIRUYGDDTNYDNL-JTQLQIEISA-N 0 3 237.303 0.052 20 0 BCADHN CCc1cc(NC(=O)[C@H](N)CCOC)nn1C ZINC000884348323 591910200 /nfs/dbraw/zinc/91/02/00/591910200.db2.gz VESPSVGNFKJLKC-SECBINFHSA-N 0 3 240.307 0.285 20 0 BCADHN CC[C@@H](NC(=O)[C@H](CN)OC)[C@@H]1CCCO1 ZINC000884379908 591921135 /nfs/dbraw/zinc/92/11/35/591921135.db2.gz NQLNRUVZHVDUJI-UTLUCORTSA-N 0 3 230.308 0.034 20 0 BCADHN CC[C@H](NC(=O)[C@H](N)CCOC)[C@H]1CCCO1 ZINC000884380203 591921286 /nfs/dbraw/zinc/92/12/86/591921286.db2.gz WRZQVJPPSLPFIP-OUAUKWLOSA-N 0 3 244.335 0.424 20 0 BCADHN COCC[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1OC ZINC000884387646 591921785 /nfs/dbraw/zinc/92/17/85/591921785.db2.gz ZOSAJUFNLWEKII-GMTAPVOTSA-N 0 3 244.335 0.424 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1C[C@H]1c1ccccc1C ZINC000884383657 591921986 /nfs/dbraw/zinc/92/19/86/591921986.db2.gz QCTYRADWIDBEMG-XQQFMLRXSA-N 0 3 248.326 0.941 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000884388704 591922153 /nfs/dbraw/zinc/92/21/53/591922153.db2.gz DGMJVGQAXXEHGQ-IONNQARKSA-N 0 3 234.246 0.218 20 0 BCADHN COC(=O)CC1(NC(=O)[C@H](N)CC2CC2)CC1 ZINC000884386552 591922425 /nfs/dbraw/zinc/92/24/25/591922425.db2.gz SHAYEENRIHSYKR-SECBINFHSA-N 0 3 240.303 0.326 20 0 BCADHN C[C@]12COC[C@@H]1CN(C(=O)[C@@H](N)CC1CC1)C2 ZINC000884409792 591927217 /nfs/dbraw/zinc/92/72/17/591927217.db2.gz SFYFOKHQLODOCM-GVXVVHGQSA-N 0 3 238.331 0.609 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)CC1=CCSC1 ZINC000884419045 591928628 /nfs/dbraw/zinc/92/86/28/591928628.db2.gz FKOVAJREPSFATL-VIFPVBQESA-N 0 3 230.333 0.092 20 0 BCADHN COCC[C@@H](N)C(=O)N(C1CC1)C1CC1 ZINC000884434580 591933571 /nfs/dbraw/zinc/93/35/71/591933571.db2.gz QFTOSIHCLWDJPS-SNVBAGLBSA-N 0 3 212.293 0.504 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1nc(C2CC2)c[nH]1 ZINC000884453071 591939629 /nfs/dbraw/zinc/93/96/29/591939629.db2.gz FVKFMSJVRDXDFU-MRVPVSSYSA-N 0 3 238.291 0.589 20 0 BCADHN COCC[C@@H](N)C(=O)N[C@@H]1CCCC[C@@H]1F ZINC000884460189 591941177 /nfs/dbraw/zinc/94/11/77/591941177.db2.gz SFWQQIXJXBPVNO-IVZWLZJFSA-N 0 3 232.299 0.747 20 0 BCADHN CCS(=O)(=O)CCNC(C)(C)COC ZINC000135063511 591981633 /nfs/dbraw/zinc/98/16/33/591981633.db2.gz SKSHHIOPBFMIGV-UHFFFAOYSA-N 0 3 223.338 0.436 20 0 BCADHN O[C@@H]1C[C@@H](Nc2ccnc3ccccc32)C[C@@H]1O ZINC000884620928 591995309 /nfs/dbraw/zinc/99/53/09/591995309.db2.gz QOTHRCDKXJRENP-CFWWUVRLSA-N 0 3 244.294 0.953 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)NCCCCC1CC1 ZINC000884704741 592013003 /nfs/dbraw/zinc/01/30/03/592013003.db2.gz RMRARCKLYDYVRT-SECBINFHSA-N 0 3 241.335 0.146 20 0 BCADHN Cc1cncnc1NCCN(C)CCO ZINC000884825993 592018234 /nfs/dbraw/zinc/01/82/34/592018234.db2.gz BHHNBQIUIQZHIB-UHFFFAOYSA-N 0 3 210.281 0.121 20 0 BCADHN Cc1ccnc(NCCN(C)CCO)c1 ZINC000884824716 592022530 /nfs/dbraw/zinc/02/25/30/592022530.db2.gz KBPLONAOONQXDF-UHFFFAOYSA-N 0 3 209.293 0.726 20 0 BCADHN Cc1cnc(NCCN(C)CCO)nc1 ZINC000884824993 592022913 /nfs/dbraw/zinc/02/29/13/592022913.db2.gz ZBHXRDURMFODLQ-UHFFFAOYSA-N 0 3 210.281 0.121 20 0 BCADHN CCc1nc(C)cc(NCCN(C)CCO)n1 ZINC000884825346 592023864 /nfs/dbraw/zinc/02/38/64/592023864.db2.gz RDOZPOHLMJBALB-UHFFFAOYSA-N 0 3 238.335 0.683 20 0 BCADHN CCc1nccc(NCCN(C)CCO)n1 ZINC000884825967 592024024 /nfs/dbraw/zinc/02/40/24/592024024.db2.gz ANCSKXPDBHDGAY-UHFFFAOYSA-N 0 3 224.308 0.375 20 0 BCADHN CCN(CC)CCOC(=O)C[C@@H]1CCNC1=O ZINC000884917497 592029060 /nfs/dbraw/zinc/02/90/60/592029060.db2.gz GYLMHJWWRCGCPN-JTQLQIEISA-N 0 3 242.319 0.398 20 0 BCADHN COCCOC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000885031538 592034318 /nfs/dbraw/zinc/03/43/18/592034318.db2.gz LNPRHBZDWZGAGA-UWVGGRQHSA-N 0 3 230.308 0.842 20 0 BCADHN COCCOC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000885055502 592040828 /nfs/dbraw/zinc/04/08/28/592040828.db2.gz XYAZTVBKTHPXNJ-MWLCHTKSSA-N 0 3 242.319 0.842 20 0 BCADHN COCCOC(=O)NCC1=CCN(C)CC1 ZINC000885090500 592051041 /nfs/dbraw/zinc/05/10/41/592051041.db2.gz ZYABWYAETCDQTN-UHFFFAOYSA-N 0 3 228.292 0.621 20 0 BCADHN COCCOC(=O)NC[C@H](C)N(C)C ZINC000885220057 592058378 /nfs/dbraw/zinc/05/83/78/592058378.db2.gz MJJNOVQQRCRFTP-QMMMGPOBSA-N 0 3 204.270 0.309 20 0 BCADHN COCCOC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000885250821 592060484 /nfs/dbraw/zinc/06/04/84/592060484.db2.gz ALZHJCKXGLCGIK-LLVKDONJSA-N 0 3 242.319 0.795 20 0 BCADHN CCCOC(=O)NCCN(C)CCO ZINC000885804954 592102076 /nfs/dbraw/zinc/10/20/76/592102076.db2.gz ZVKBKZMWVPDGGT-UHFFFAOYSA-N 0 3 204.270 0.047 20 0 BCADHN CC(C)N(CC(N)=O)C[C@@H]1C[C@]12CCOC2 ZINC000885940586 592111784 /nfs/dbraw/zinc/11/17/84/592111784.db2.gz MKXJDDPQSJXQIQ-JQWIXIFHSA-N 0 3 226.320 0.609 20 0 BCADHN C[C@](O)(CN1CCC[C@H](CO)C1)C(F)F ZINC000885944851 592112529 /nfs/dbraw/zinc/11/25/29/592112529.db2.gz WENRXCMPDZUBJO-WPRPVWTQSA-N 0 3 223.263 0.707 20 0 BCADHN C[C@@](O)(CN1CCC[C@H](CO)C1)C(F)F ZINC000885944850 592113167 /nfs/dbraw/zinc/11/31/67/592113167.db2.gz WENRXCMPDZUBJO-WCBMZHEXSA-N 0 3 223.263 0.707 20 0 BCADHN CCN(CC(=O)N(C)C)C[C@@H]1C[C@@]12CCOC2 ZINC000885953773 592115113 /nfs/dbraw/zinc/11/51/13/592115113.db2.gz FSIQZRAVPMPQMA-WCQYABFASA-N 0 3 240.347 0.823 20 0 BCADHN CNC(=O)CCN(C)C[C@](C)(O)C(F)F ZINC000885983903 592120889 /nfs/dbraw/zinc/12/08/89/592120889.db2.gz STLPRNHWMRWJDP-VIFPVBQESA-N 0 3 224.251 0.070 20 0 BCADHN O=C1CCN(C[C@@H]2CC[C@@H](C3CC3)O2)CCN1 ZINC000885985987 592121952 /nfs/dbraw/zinc/12/19/52/592121952.db2.gz WAKIEPHUNGSLAR-RYUDHWBXSA-N 0 3 238.331 0.766 20 0 BCADHN Cc1n[nH]c(CNC[C@@H](O)c2cnn(C)c2)c1C ZINC000885999211 592125892 /nfs/dbraw/zinc/12/58/92/592125892.db2.gz GFELYEGQFJJFJM-GFCCVEGCSA-N 0 3 249.318 0.583 20 0 BCADHN Cc1[nH]nc(CNC[C@@H](O)c2cnn(C)c2)c1C ZINC000885999211 592125893 /nfs/dbraw/zinc/12/58/93/592125893.db2.gz GFELYEGQFJJFJM-GFCCVEGCSA-N 0 3 249.318 0.583 20 0 BCADHN OCC(CO)NC/C=C/c1cccc(F)c1 ZINC000885999777 592125998 /nfs/dbraw/zinc/12/59/98/592125998.db2.gz NAVSMPJKGQHNBV-DUXPYHPUSA-N 0 3 225.263 0.782 20 0 BCADHN C[C@@](O)(CN1CC[C@@](C)(O)C1)C(F)F ZINC000886032643 592128214 /nfs/dbraw/zinc/12/82/14/592128214.db2.gz KOIAIHAGNIOHNJ-RKDXNWHRSA-N 0 3 209.236 0.459 20 0 BCADHN C[C@@](O)(CN1CC[C@H](CO)C1)C(F)F ZINC000886019271 592133048 /nfs/dbraw/zinc/13/30/48/592133048.db2.gz PPHSCDFUDSNCJK-IONNQARKSA-N 0 3 209.236 0.317 20 0 BCADHN C[C@](O)(CN1CC[C@H](CO)C1)C(F)F ZINC000886019270 592133139 /nfs/dbraw/zinc/13/31/39/592133139.db2.gz PPHSCDFUDSNCJK-CBAPKCEASA-N 0 3 209.236 0.317 20 0 BCADHN CCN(CCCO)C[C@](C)(O)C(F)F ZINC000886028541 592135248 /nfs/dbraw/zinc/13/52/48/592135248.db2.gz RXGWJCHDHCXIFH-VIFPVBQESA-N 0 3 211.252 0.707 20 0 BCADHN C[C@@](O)(CN1CC[C@](C)(O)C1)C(F)F ZINC000886032641 592136534 /nfs/dbraw/zinc/13/65/34/592136534.db2.gz KOIAIHAGNIOHNJ-DTWKUNHWSA-N 0 3 209.236 0.459 20 0 BCADHN C([C@H]1C[C@@]12CCOC2)N1CCC2(C1)OCCO2 ZINC000886062662 592141708 /nfs/dbraw/zinc/14/17/08/592141708.db2.gz UGSCIUZLXHVAMB-VXGBXAGGSA-N 0 3 239.315 0.862 20 0 BCADHN C([C@@H]1C[C@@]12CCOC2)N1CCC2(C1)OCCO2 ZINC000886062660 592142374 /nfs/dbraw/zinc/14/23/74/592142374.db2.gz UGSCIUZLXHVAMB-NWDGAFQWSA-N 0 3 239.315 0.862 20 0 BCADHN CNC(=O)CCCN(C)C[C@@](C)(O)C(F)F ZINC000886082941 592144236 /nfs/dbraw/zinc/14/42/36/592144236.db2.gz CKGVHGXZMKDVGX-SNVBAGLBSA-N 0 3 238.278 0.461 20 0 BCADHN Cc1cn[nH]c1CN1CCN(C)[C@H](C)C1 ZINC000886091907 592146567 /nfs/dbraw/zinc/14/65/67/592146567.db2.gz JRMDICCPWQSRMY-SNVBAGLBSA-N 0 3 208.309 0.854 20 0 BCADHN CC[C@@H]1CN(C[C@](C)(O)C(F)F)C[C@H]1O ZINC000886094502 592147650 /nfs/dbraw/zinc/14/76/50/592147650.db2.gz UGCIOSYOALIVNK-MRTMQBJTSA-N 0 3 223.263 0.705 20 0 BCADHN Cc1n[nH]c(CNC[C@@]2(O)CCO[C@@H]2C)c1C ZINC000886099361 592148367 /nfs/dbraw/zinc/14/83/67/592148367.db2.gz YAIQDIQQGZGDTQ-PWSUYJOCSA-N 0 3 239.319 0.656 20 0 BCADHN CC(C)CONC(=O)NC1CCN(C)CC1 ZINC000136720055 592149476 /nfs/dbraw/zinc/14/94/76/592149476.db2.gz JAGCNWLWEDOYGS-UHFFFAOYSA-N 0 3 229.324 0.967 20 0 BCADHN COC[C@@H](CO)NCc1n[nH]c(C)c1C ZINC000886100256 592154297 /nfs/dbraw/zinc/15/42/97/592154297.db2.gz JGDZBEUFDBFLCB-SECBINFHSA-N 0 3 213.281 0.123 20 0 BCADHN CCOCCN(C)C[C@](C)(O)C(F)F ZINC000886102798 592155228 /nfs/dbraw/zinc/15/52/28/592155228.db2.gz QPZKTVVGQVADCZ-VIFPVBQESA-N 0 3 211.252 0.971 20 0 BCADHN Cc1coc(CN[C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000886153431 592164102 /nfs/dbraw/zinc/16/41/02/592164102.db2.gz GKCXDLZAOHTEBD-DTORHVGOSA-N 0 3 208.261 0.942 20 0 BCADHN C[C@@H]1CN(C[C@@H]2C[C@]23CCOC3)C[C@H](CO)O1 ZINC000886164577 592166803 /nfs/dbraw/zinc/16/68/03/592166803.db2.gz ONGWGTLBWZZFQH-XQHKEYJVSA-N 0 3 241.331 0.495 20 0 BCADHN C[C@@](O)(CN1CC[C@@]2(CNC(=O)C2)C1)C(F)F ZINC000886179001 592170613 /nfs/dbraw/zinc/17/06/13/592170613.db2.gz LABDGOXEMCJUBU-GHMZBOCLSA-N 0 3 248.273 0.215 20 0 BCADHN CN(CCC(N)=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886204776 592175908 /nfs/dbraw/zinc/17/59/08/592175908.db2.gz PZRXEVLDFIMCBA-QWRGUYRKSA-N 0 3 226.320 0.751 20 0 BCADHN COC[C@H]1CCN1C[C@@](C)(O)C(F)F ZINC000886217531 592176669 /nfs/dbraw/zinc/17/66/69/592176669.db2.gz BNDIBDBQJCFDBR-VXNVDRBHSA-N 0 3 209.236 0.723 20 0 BCADHN COC[C@@H]1CCN1C[C@](C)(O)C(F)F ZINC000886217529 592176910 /nfs/dbraw/zinc/17/69/10/592176910.db2.gz BNDIBDBQJCFDBR-CBAPKCEASA-N 0 3 209.236 0.723 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(C[C@](C)(O)C(F)F)C[C@@H]21 ZINC000886215844 592178305 /nfs/dbraw/zinc/17/83/05/592178305.db2.gz SBRCWNOYFRVMOD-RFOGZPIASA-N 0 3 249.257 0.353 20 0 BCADHN CN(C[C@H]1C[C@@]12CCOC2)C(C)(C)C(N)=O ZINC000886220511 592179769 /nfs/dbraw/zinc/17/97/69/592179769.db2.gz JLXPYUMPEOTIPT-BXKDBHETSA-N 0 3 226.320 0.609 20 0 BCADHN COc1ccc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886241408 592183916 /nfs/dbraw/zinc/18/39/16/592183916.db2.gz XWFKYRDRWYAPKN-UOJUARBOSA-N 0 3 237.299 0.669 20 0 BCADHN CCc1ncc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000886242849 592183975 /nfs/dbraw/zinc/18/39/75/592183975.db2.gz GJVHLLLYMVUABH-SLGCYQGISA-N 0 3 242.344 0.679 20 0 BCADHN O[C@@H]1C[C@@H](NCc2cc(F)cc(F)c2)C[C@@H]1O ZINC000886245099 592184795 /nfs/dbraw/zinc/18/47/95/592184795.db2.gz KPYUVCDUADEGKD-CNDDSTCGSA-N 0 3 243.253 0.939 20 0 BCADHN Cc1n[nH]c(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)c1C ZINC000886250072 592186177 /nfs/dbraw/zinc/18/61/77/592186177.db2.gz ZVHLFIGXEISLHE-UIKWRGBMSA-N 0 3 225.292 0.000 20 0 BCADHN Cc1[nH]nc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)c1C ZINC000886250072 592186179 /nfs/dbraw/zinc/18/61/79/592186179.db2.gz ZVHLFIGXEISLHE-UIKWRGBMSA-N 0 3 225.292 0.000 20 0 BCADHN O[C@@H]1C[C@H](NCc2cccc(F)c2)C[C@@H]1O ZINC000886258062 592188495 /nfs/dbraw/zinc/18/84/95/592188495.db2.gz ULZHLRXZRYTEDF-ZSBIGDGJSA-N 0 3 225.263 0.800 20 0 BCADHN O[C@@H]1C[C@H](NCc2ccccc2)C[C@@H]1O ZINC000886257677 592189023 /nfs/dbraw/zinc/18/90/23/592189023.db2.gz IEPPZEVVRFZCIU-ZSBIGDGJSA-N 0 3 207.273 0.660 20 0 BCADHN O[C@@H]1CC[C@@H](NCC2(F)CC2)CC[C@@H]1O ZINC000886262559 592189884 /nfs/dbraw/zinc/18/98/84/592189884.db2.gz URTCEHRMFSPTAZ-OWUUHHOZSA-N 0 3 217.284 0.743 20 0 BCADHN CC[C@H](C(=O)NCc1cncc(O)c1)N(C)C ZINC000886273138 592193384 /nfs/dbraw/zinc/19/33/84/592193384.db2.gz NFJLFAYIZREEKZ-LLVKDONJSA-N 0 3 237.303 0.744 20 0 BCADHN CC[C@H](C(=O)NCc1cncc([O-])c1)[NH+](C)C ZINC000886273138 592193386 /nfs/dbraw/zinc/19/33/86/592193386.db2.gz NFJLFAYIZREEKZ-LLVKDONJSA-N 0 3 237.303 0.744 20 0 BCADHN Cc1cn[nH]c1CN1[C@@H](CO)CC[C@@H]1CO ZINC000886274694 592194429 /nfs/dbraw/zinc/19/44/29/592194429.db2.gz YSWNDYNTPATZOX-NXEZZACHSA-N 0 3 225.292 0.036 20 0 BCADHN CCC(CC)CNCc1nnc2c(=O)[nH]ccn12 ZINC000886292655 592201502 /nfs/dbraw/zinc/20/15/02/592201502.db2.gz UGFBGXQWCOSQKV-UHFFFAOYSA-N 0 3 249.318 0.943 20 0 BCADHN Cn1nncc1CNC[C@H]1CC2(CCC2)CO1 ZINC000886289505 592201603 /nfs/dbraw/zinc/20/16/03/592201603.db2.gz XGAPTAUZFTVXQU-LLVKDONJSA-N 0 3 236.319 0.864 20 0 BCADHN CN(C[C@](C)(O)C(F)F)CC1(C)COC1 ZINC000886297460 592202909 /nfs/dbraw/zinc/20/29/09/592202909.db2.gz RYZSMJICQBYFTM-JTQLQIEISA-N 0 3 223.263 0.971 20 0 BCADHN CCn1nncc1CNCC[C@H]1CCCO1 ZINC000886312965 592205793 /nfs/dbraw/zinc/20/57/93/592205793.db2.gz DSXCHURLKAZLSV-LLVKDONJSA-N 0 3 224.308 0.957 20 0 BCADHN O=C1NCCN1CCNCc1cc[nH]c1 ZINC000886324053 592208423 /nfs/dbraw/zinc/20/84/23/592208423.db2.gz XQFPEEHHOYLILD-UHFFFAOYSA-N 0 3 208.265 0.130 20 0 BCADHN OCCCCCN1CCCn2nncc2C1 ZINC000886455124 592226566 /nfs/dbraw/zinc/22/65/66/592226566.db2.gz BFFYOHDKGADOFQ-UHFFFAOYSA-N 0 3 224.308 0.646 20 0 BCADHN COCCCCN1CCCn2nncc2C1 ZINC000886455718 592227030 /nfs/dbraw/zinc/22/70/30/592227030.db2.gz ZCMCXGMYUYFDGV-UHFFFAOYSA-N 0 3 224.308 0.910 20 0 BCADHN c1nnn2c1CN(C[C@H]1CCOC1)CCC2 ZINC000886455191 592227056 /nfs/dbraw/zinc/22/70/56/592227056.db2.gz DNIKBTMLXKFDHW-SNVBAGLBSA-N 0 3 222.292 0.520 20 0 BCADHN c1nnn2c1CN(C[C@@H]1CCCOC1)CCC2 ZINC000886457780 592227105 /nfs/dbraw/zinc/22/71/05/592227105.db2.gz OIWQZLZWPJLWDV-NSHDSACASA-N 0 3 236.319 0.910 20 0 BCADHN CCOCCCN1CCCn2nncc2C1 ZINC000886455618 592227404 /nfs/dbraw/zinc/22/74/04/592227404.db2.gz UUFKINYEQVPREC-UHFFFAOYSA-N 0 3 224.308 0.910 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCCn2nncc2C1 ZINC000886468520 592229715 /nfs/dbraw/zinc/22/97/15/592229715.db2.gz DXXMPZBWUZXHHL-QWRGUYRKSA-N 0 3 236.319 0.909 20 0 BCADHN COC(=O)c1cncc([C@@H](C)NC[C@H](C)O)c1 ZINC000886487676 592235054 /nfs/dbraw/zinc/23/50/54/592235054.db2.gz NWVRGCDKBAEGBR-DTWKUNHWSA-N 0 3 238.287 0.900 20 0 BCADHN COC(=O)c1cncc([C@@H](C)NCCCO)c1 ZINC000886489340 592236068 /nfs/dbraw/zinc/23/60/68/592236068.db2.gz GLNXOTMLYYJKMD-SECBINFHSA-N 0 3 238.287 0.901 20 0 BCADHN CC(C)[C@@H](NCCOCCO)c1cnn(C)c1 ZINC000886491485 592236573 /nfs/dbraw/zinc/23/65/73/592236573.db2.gz GDOBTZRBFPWHAX-GFCCVEGCSA-N 0 3 241.335 0.716 20 0 BCADHN CCCNC(=O)CN[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886491391 592236808 /nfs/dbraw/zinc/23/68/08/592236808.db2.gz BGCYYEMITVGPII-NXEZZACHSA-N 0 3 242.319 0.444 20 0 BCADHN COC(=O)c1cncc([C@@H](C)NCCO)c1 ZINC000886491417 592236842 /nfs/dbraw/zinc/23/68/42/592236842.db2.gz COEJJJDGLUOSKA-MRVPVSSYSA-N 0 3 224.260 0.511 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)CCSC ZINC000138121847 592238188 /nfs/dbraw/zinc/23/81/88/592238188.db2.gz IRJBKBANHGMJRH-JGVFFNPUSA-N 0 3 204.339 0.982 20 0 BCADHN CCCCOC(=O)CCN(C)[C@@H]1COC[C@H]1O ZINC000886505088 592239488 /nfs/dbraw/zinc/23/94/88/592239488.db2.gz JUXPLATYSTUNDA-GHMZBOCLSA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)c1cncc([C@H](C)N[C@@H](C)CO)c1 ZINC000886534114 592249817 /nfs/dbraw/zinc/24/98/17/592249817.db2.gz BAFFJJZBZPGTLJ-IUCAKERBSA-N 0 3 238.287 0.900 20 0 BCADHN COC(=O)[C@H]1CC[C@@H](N[C@H](C)C(=O)N(C)C)C1 ZINC000886550289 592255468 /nfs/dbraw/zinc/25/54/68/592255468.db2.gz WXZLRLHKCPXOBL-KXUCPTDWSA-N 0 3 242.319 0.394 20 0 BCADHN O=C(CN1C[C@@H]2CSC[C@@H]2C1)NC1CC1 ZINC000886553313 592258886 /nfs/dbraw/zinc/25/88/86/592258886.db2.gz JTDUEMJKMNRAJA-DTORHVGOSA-N 0 3 226.345 0.560 20 0 BCADHN COC[C@H](O)CN[C@H](c1cnn(C)c1)C(C)C ZINC000886607139 592273983 /nfs/dbraw/zinc/27/39/83/592273983.db2.gz LRPWIQSZCPWMHJ-NEPJUHHUSA-N 0 3 241.335 0.714 20 0 BCADHN O=C(CN1CC[C@@]2(CO)CCC[C@@H]12)NC1CC1 ZINC000886622173 592279370 /nfs/dbraw/zinc/27/93/70/592279370.db2.gz LTGZDNJWVFGIFO-DGCLKSJQSA-N 0 3 238.331 0.502 20 0 BCADHN CC[C@H](N[C@H]1CC[C@@H](C(=O)OC)C1)C(=O)NC ZINC000886621931 592279664 /nfs/dbraw/zinc/27/96/64/592279664.db2.gz GFHJHIHKPGIMLV-UTLUCORTSA-N 0 3 242.319 0.442 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NCCN1CCNC1=O ZINC000886743302 592314790 /nfs/dbraw/zinc/31/47/90/592314790.db2.gz ZXCOERLWJNNWJH-MRVPVSSYSA-N 0 3 237.307 0.394 20 0 BCADHN O=C1NCCN1CCN[C@@H]1CCc2cccnc21 ZINC000886746948 592316081 /nfs/dbraw/zinc/31/60/81/592316081.db2.gz GWGFPFIPKQZXDU-LLVKDONJSA-N 0 3 246.314 0.684 20 0 BCADHN CN(C)C(=O)CN1CC[C@H]([C@H]2CCCO2)C1 ZINC000886816311 592337710 /nfs/dbraw/zinc/33/77/10/592337710.db2.gz REEBJLGYMGBNAS-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN c1n[nH]nc1CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886819732 592342611 /nfs/dbraw/zinc/34/26/11/592342611.db2.gz WAZSXNOCOPHMKB-ONGXEEELSA-N 0 3 222.292 0.806 20 0 BCADHN c1[nH]nnc1CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886819732 592342616 /nfs/dbraw/zinc/34/26/16/592342616.db2.gz WAZSXNOCOPHMKB-ONGXEEELSA-N 0 3 222.292 0.806 20 0 BCADHN CNC(=O)CN1CC[C@H]([C@H]2CCCO2)C1 ZINC000886819679 592342787 /nfs/dbraw/zinc/34/27/87/592342787.db2.gz VLJUGVXXGHMWPP-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN Cn1nncc1CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886818970 592342988 /nfs/dbraw/zinc/34/29/88/592342988.db2.gz MBQUNYAGHDHADO-JQWIXIFHSA-N 0 3 236.319 0.816 20 0 BCADHN C(C1OCCO1)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886821309 592344522 /nfs/dbraw/zinc/34/45/22/592344522.db2.gz AYEAKXQFRORHPN-QWRGUYRKSA-N 0 3 227.304 0.860 20 0 BCADHN C(C1OCCO1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000886821310 592345942 /nfs/dbraw/zinc/34/59/42/592345942.db2.gz AYEAKXQFRORHPN-WDEREUQCSA-N 0 3 227.304 0.860 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886823174 592346874 /nfs/dbraw/zinc/34/68/74/592346874.db2.gz ZVVJBSRVZSSCEQ-OPRDCNLKSA-N 0 3 212.293 0.361 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886832698 592354429 /nfs/dbraw/zinc/35/44/29/592354429.db2.gz LNYCBPSEBNVPFY-AXFHLTTASA-N 0 3 226.320 0.751 20 0 BCADHN FC(F)[C@@H]1CNCCN1C[C@H]1C[C@]12CCOC2 ZINC000886837092 592355654 /nfs/dbraw/zinc/35/56/54/592355654.db2.gz AXIPMKPWZTYNIX-SCVCMEIPSA-N 0 3 246.301 0.952 20 0 BCADHN FC(F)[C@@H]1CNCCN1C[C@@H]1C[C@]12CCOC2 ZINC000886837091 592355921 /nfs/dbraw/zinc/35/59/21/592355921.db2.gz AXIPMKPWZTYNIX-NHCYSSNCSA-N 0 3 246.301 0.952 20 0 BCADHN CCC[C@@H](O)CN1CC[C@H](NC(=O)OC)C1 ZINC000886852319 592366846 /nfs/dbraw/zinc/36/68/46/592366846.db2.gz GBUUGAKDZKFHBS-VHSXEESVSA-N 0 3 230.308 0.578 20 0 BCADHN CC[C@H](C(=O)N1CCOC[C@H]1COC)N(C)C ZINC000886856914 592370385 /nfs/dbraw/zinc/37/03/85/592370385.db2.gz IMWFNYAZKNYZIJ-GHMZBOCLSA-N 0 3 244.335 0.200 20 0 BCADHN CC[C@H](N[C@H](COC)[C@@H]1CCCOC1)C(N)=O ZINC000886907989 592394861 /nfs/dbraw/zinc/39/48/61/592394861.db2.gz MLPCYFISULWDMW-OUAUKWLOSA-N 0 3 244.335 0.282 20 0 BCADHN COC[C@H](NCc1c[nH]cn1)[C@@H]1CCCOC1 ZINC000886915833 592395566 /nfs/dbraw/zinc/39/55/66/592395566.db2.gz KQZRLEQNRUASHC-PWSUYJOCSA-N 0 3 239.319 0.941 20 0 BCADHN COC[C@H](NCc1cnc[nH]1)[C@@H]1CCCOC1 ZINC000886915833 592395571 /nfs/dbraw/zinc/39/55/71/592395571.db2.gz KQZRLEQNRUASHC-PWSUYJOCSA-N 0 3 239.319 0.941 20 0 BCADHN CC[C@H](N[C@@H](COC)[C@@H]1CCCOC1)C(N)=O ZINC000886907990 592396232 /nfs/dbraw/zinc/39/62/32/592396232.db2.gz MLPCYFISULWDMW-VWYCJHECSA-N 0 3 244.335 0.282 20 0 BCADHN NC(=O)CNCC1(C2(O)CCC2)CCC1 ZINC000886974191 592403860 /nfs/dbraw/zinc/40/38/60/592403860.db2.gz RBBZWSIZCVJPBC-UHFFFAOYSA-N 0 3 212.293 0.147 20 0 BCADHN CC[C@H](C)[C@H](NCCOC(F)F)C(N)=O ZINC000887055594 592430020 /nfs/dbraw/zinc/43/00/20/592430020.db2.gz ARNVSIDOCFMACV-BQBZGAKWSA-N 0 3 224.251 0.715 20 0 BCADHN CC[C@H](C)[C@H](NC[C@H](O)C1CC1)C(N)=O ZINC000887055828 592432536 /nfs/dbraw/zinc/43/25/36/592432536.db2.gz NIWDLPSJZAKZPN-HGNGGELXSA-N 0 3 214.309 0.247 20 0 BCADHN CC[C@H](C)[C@H](NC[C@@H]1COC(C)(C)O1)C(N)=O ZINC000887055838 592432651 /nfs/dbraw/zinc/43/26/51/592432651.db2.gz NRCSJAIXGVFPAL-AEJSXWLSSA-N 0 3 244.335 0.628 20 0 BCADHN CC[C@H](C)[C@H](NCCC(=O)OC)C(N)=O ZINC000887063270 592434272 /nfs/dbraw/zinc/43/42/72/592434272.db2.gz WRVKXIKCXXUYSY-CBAPKCEASA-N 0 3 216.281 0.039 20 0 BCADHN C[C@H](C(N)=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000887130237 592448681 /nfs/dbraw/zinc/44/86/81/592448681.db2.gz ABOCJVCJZYEGMX-GHMZBOCLSA-N 0 3 248.330 0.466 20 0 BCADHN CNC(=O)CN1CCN(c2ccncc2)C[C@H]1C ZINC000887131394 592449167 /nfs/dbraw/zinc/44/91/67/592449167.db2.gz WNMUCDJCQONYAV-LLVKDONJSA-N 0 3 248.330 0.338 20 0 BCADHN CN(CCCF)C[C@@H](O)CC1(O)CCOCC1 ZINC000887142772 592456809 /nfs/dbraw/zinc/45/68/09/592456809.db2.gz ZKHRCKYKXUTWRR-NSHDSACASA-N 0 3 249.326 0.570 20 0 BCADHN CN(Cc1cccc(=O)[nH]1)C(=O)CN1CCCC1 ZINC000887160834 592464368 /nfs/dbraw/zinc/46/43/68/592464368.db2.gz DAHMDOBNISHXRU-UHFFFAOYSA-N 0 3 249.314 0.841 20 0 BCADHN CCN1CC[C@@H]1CNc1ncnc2nccnc21 ZINC000887320524 592480522 /nfs/dbraw/zinc/48/05/22/592480522.db2.gz JBAWLRUDSJSYDE-SECBINFHSA-N 0 3 244.302 0.926 20 0 BCADHN CC[C@H](N)c1cn(C[C@](C)(O)C(F)F)nn1 ZINC000887465382 592510757 /nfs/dbraw/zinc/51/07/57/592510757.db2.gz XCGIIZORAJIKLO-RCOVLWMOSA-N 0 3 234.250 0.704 20 0 BCADHN CCS(=O)(=O)CCN[C@H](C)C(C)(C)OC ZINC000300934375 592525589 /nfs/dbraw/zinc/52/55/89/592525589.db2.gz FTTCDXGIDWUYTJ-SECBINFHSA-N 0 3 237.365 0.824 20 0 BCADHN CN1CCC(NC(=O)N[C@]23C[C@H]2COC3)CC1 ZINC000887613088 592533954 /nfs/dbraw/zinc/53/39/54/592533954.db2.gz PPWGIVUVHQUNHT-CABZTGNLSA-N 0 3 239.319 0.169 20 0 BCADHN COC[C@@H]1CCCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000302692013 592552151 /nfs/dbraw/zinc/55/21/51/592552151.db2.gz SUEVSBAWWDVLEI-NEPJUHHUSA-N 0 3 240.347 0.999 20 0 BCADHN CCNCC(=O)NCC[C@@H]1CCCCO1 ZINC000224106714 592552710 /nfs/dbraw/zinc/55/27/10/592552710.db2.gz QRIDJHDQAKHLRZ-JTQLQIEISA-N 0 3 214.309 0.671 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CC12CC(O)C2 ZINC000888967402 592553255 /nfs/dbraw/zinc/55/32/55/592553255.db2.gz NUCZQIZNSNOFEC-SQLBVSGCSA-N 0 3 226.320 0.356 20 0 BCADHN CN1C[C@@H]2CN(C(=O)c3c[nH]cn3)C[C@]2(C)C1 ZINC000887933200 592560985 /nfs/dbraw/zinc/56/09/85/592560985.db2.gz HTRNMNSGIITGAV-SKDRFNHKSA-N 0 3 234.303 0.433 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H]1C(=O)OC ZINC000888056653 592569766 /nfs/dbraw/zinc/56/97/66/592569766.db2.gz VNNISHVBAAHLEC-SECBINFHSA-N 0 3 228.292 0.102 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@H]1C(=O)OC)N(C)C ZINC000888061074 592570996 /nfs/dbraw/zinc/57/09/96/592570996.db2.gz XVLDRCYQBCBGOJ-IUCAKERBSA-N 0 3 228.292 0.101 20 0 BCADHN CO[C@@H]1CCOC[C@H]1NC(=O)CN(C)C(C)C ZINC000889195547 592589041 /nfs/dbraw/zinc/58/90/41/592589041.db2.gz IJAGVKWPNWSAPY-GHMZBOCLSA-N 0 3 244.335 0.247 20 0 BCADHN CC[C@](C)(O)C(=O)N1CCC12CCN(C)CC2 ZINC000889218834 592589665 /nfs/dbraw/zinc/58/96/65/592589665.db2.gz YGBTTWYMFXMVCA-LBPRGKRZSA-N 0 3 240.347 0.844 20 0 BCADHN CN1CCC2(CCN2C(=O)C2=COCC2)CC1 ZINC000889224333 592590535 /nfs/dbraw/zinc/59/05/35/592590535.db2.gz FNKYPXBXLUVMAG-UHFFFAOYSA-N 0 3 236.315 0.987 20 0 BCADHN CO[C@@H]1CC[C@H]1N(C)C(=O)CN(C)C(C)C ZINC000889352072 592599893 /nfs/dbraw/zinc/59/98/93/592599893.db2.gz IWHMAMVBEMFQRL-GHMZBOCLSA-N 0 3 228.336 0.962 20 0 BCADHN CCCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889783648 592653700 /nfs/dbraw/zinc/65/37/00/592653700.db2.gz ZQMQVIKFRTZLDO-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN COC[C@H]1C[C@@H](NC(=O)NCCN(C)C)C1 ZINC000889867228 592657132 /nfs/dbraw/zinc/65/71/32/592657132.db2.gz OLVBGFQGPWPRTI-AOOOYVTPSA-N 0 3 229.324 0.272 20 0 BCADHN C[C@H](C(=O)NCCN1CCC(C)(C)C1)N(C)C ZINC000890068392 592676892 /nfs/dbraw/zinc/67/68/92/592676892.db2.gz QCJPOZLLGJJBDL-LLVKDONJSA-N 0 3 241.379 0.785 20 0 BCADHN COCC(=O)NCCN1CCC(C)(C)C1 ZINC000890082683 592677901 /nfs/dbraw/zinc/67/79/01/592677901.db2.gz ZVGPUZPTTYNPMC-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN CC1(C)CCN(CCNC(=O)c2cnccn2)C1 ZINC000890082637 592678277 /nfs/dbraw/zinc/67/82/77/592678277.db2.gz XVEZOHKNXXHJTC-UHFFFAOYSA-N 0 3 248.330 0.938 20 0 BCADHN O=C1CN([C@@H]2CCCC[C@H]2O)CCCN1 ZINC000108327033 592705370 /nfs/dbraw/zinc/70/53/70/592705370.db2.gz LEPAWOJOTWSFGQ-NXEZZACHSA-N 0 3 212.293 0.112 20 0 BCADHN CCCCNC(=O)[C@H](C)n1cc([C@@H](C)N)nn1 ZINC000124164807 592716521 /nfs/dbraw/zinc/71/65/21/592716521.db2.gz GNAFMPDRJAHGGH-BDAKNGLRSA-N 0 3 239.323 0.775 20 0 BCADHN CC(C)CNC(=O)[C@@H](C)n1cc([C@@H](C)N)nn1 ZINC000124230743 592717082 /nfs/dbraw/zinc/71/70/82/592717082.db2.gz LHSSQYMJYRPTOS-RKDXNWHRSA-N 0 3 239.323 0.631 20 0 BCADHN C[C@H](N)c1cn(CCO[C@@H]2CCCCO2)nn1 ZINC000124320508 592717755 /nfs/dbraw/zinc/71/77/55/592717755.db2.gz DXWWPVLWHBXIQG-GXSJLCMTSA-N 0 3 240.307 0.841 20 0 BCADHN O=C([O-])CCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000738571267 597770286 /nfs/dbraw/zinc/77/02/86/597770286.db2.gz NKYYNBKGJKPYCM-AOOOYVTPSA-N 0 3 212.293 0.393 20 0 BCADHN O=C([O-])CCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000738571271 597770433 /nfs/dbraw/zinc/77/04/33/597770433.db2.gz NKYYNBKGJKPYCM-UWVGGRQHSA-N 0 3 212.293 0.393 20 0 BCADHN CCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)[O-])C1 ZINC000037484350 598213541 /nfs/dbraw/zinc/21/35/41/598213541.db2.gz WLIPDXMOTRZVNS-VHSXEESVSA-N 0 3 214.309 0.781 20 0 BCADHN O=C([O-])CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000257746987 600574318 /nfs/dbraw/zinc/57/43/18/600574318.db2.gz FOIVWQZSUVOFJY-LLVKDONJSA-N 0 3 226.320 0.879 20 0 BCADHN CC[N@H+](C)C[C@H]1CCN(CCC(=O)[O-])C1 ZINC000380219771 601039693 /nfs/dbraw/zinc/03/96/93/601039693.db2.gz IZGKENPKLIGECP-SNVBAGLBSA-N 0 3 214.309 0.735 20 0 BCADHN CC[N@@H+](C)C[C@H]1CCN(CCC(=O)[O-])C1 ZINC000380219771 601039698 /nfs/dbraw/zinc/03/96/98/601039698.db2.gz IZGKENPKLIGECP-SNVBAGLBSA-N 0 3 214.309 0.735 20 0 BCADHN CCN(C)C[C@H]1CC[N@H+](CCC(=O)[O-])C1 ZINC000380219771 601039701 /nfs/dbraw/zinc/03/97/01/601039701.db2.gz IZGKENPKLIGECP-SNVBAGLBSA-N 0 3 214.309 0.735 20 0 BCADHN CCN(C)C[C@H]1CC[N@@H+](CCC(=O)[O-])C1 ZINC000380219771 601039704 /nfs/dbraw/zinc/03/97/04/601039704.db2.gz IZGKENPKLIGECP-SNVBAGLBSA-N 0 3 214.309 0.735 20 0 BCADHN CN1CCC[C@@H]2C[N@@H+](CC(=O)[O-])CC[C@@H]21 ZINC000088091271 604361450 /nfs/dbraw/zinc/36/14/50/604361450.db2.gz JGILXRJQLFNUAX-ZJUUUORDSA-N 0 3 212.293 0.487 20 0 BCADHN CN1CCC[C@@H]2C[N@H+](CC(=O)[O-])CC[C@@H]21 ZINC000088091271 604361446 /nfs/dbraw/zinc/36/14/46/604361446.db2.gz JGILXRJQLFNUAX-ZJUUUORDSA-N 0 3 212.293 0.487 20 0 BCADHN C[NH+](C)CC(C)(C)CN[C@H]1CCN(C(=O)[O-])C1 ZINC000828017483 605831579 /nfs/dbraw/zinc/83/15/79/605831579.db2.gz ONRNFAYKOKYHBG-JTQLQIEISA-N 0 3 243.351 0.916 20 0 BCADHN CC(C)NC(=O)[C@@H](C)N[C@H]1COCC1(C)C ZINC000312991217 634425154 /nfs/dbraw/zinc/42/51/54/634425154.db2.gz CTMBLQMSICOGGP-ZJUUUORDSA-N 0 3 228.336 0.914 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@H]1COCC1(C)C ZINC000312963039 634422736 /nfs/dbraw/zinc/42/27/36/634422736.db2.gz BPTRYRZFEYBTAJ-JTQLQIEISA-N 0 3 249.376 0.824 20 0 BCADHN CCCS(=O)(=O)CCN[C@@H]1COCC1(C)C ZINC000313018123 634439913 /nfs/dbraw/zinc/43/99/13/634439913.db2.gz QJIKGRWJFBKOKM-SNVBAGLBSA-N 0 3 249.376 0.826 20 0 BCADHN C[C@@H]1[C@H](N[C@@H]2COCC2(C)C)CCS1(=O)=O ZINC000313089268 634449034 /nfs/dbraw/zinc/44/90/34/634449034.db2.gz SESGXIFYRDSTAU-OPRDCNLKSA-N 0 3 247.360 0.577 20 0 BCADHN CC(C)(C)C(=O)CCN1CCC[C@@](O)(CO)C1 ZINC000313667797 634503175 /nfs/dbraw/zinc/50/31/75/634503175.db2.gz RTJFXXRNUSIXIV-ZDUSSCGKSA-N 0 3 243.347 0.811 20 0 BCADHN CC(C)(C)C(=O)CCN1CCC(O)(CO)CC1 ZINC000313663812 634503667 /nfs/dbraw/zinc/50/36/67/634503667.db2.gz AQWVKLHQHUDJNR-UHFFFAOYSA-N 0 3 243.347 0.811 20 0 BCADHN CC(C)OC(=O)CNC(=O)[C@@H](N)C(C)(C)C ZINC000236761426 634584198 /nfs/dbraw/zinc/58/41/98/634584198.db2.gz YBWKHFPJPPDIIH-SECBINFHSA-N 0 3 230.308 0.428 20 0 BCADHN C[C@@H](NC[C@@H](O)C1(O)CCC1)c1ccnn1C ZINC000931560043 634589925 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KWWGMUZXSPCXJQ-ZJUUUORDSA-N 0 3 242.319 0.428 20 0 BCADHN Cc1cnc(NC[C@H]2CNCCO2)nc1 ZINC000227786277 632817579 /nfs/dbraw/zinc/81/75/79/632817579.db2.gz YYPVQZKZZXZABW-SECBINFHSA-N 0 3 208.265 0.185 20 0 BCADHN C=C/C(C)=C/CC(=O)NC[C@@H]1C[C@H](O)CN1C ZINC000924980519 635821894 /nfs/dbraw/zinc/82/18/94/635821894.db2.gz GTESQYVYSKYPMR-AMYKANGRSA-N 0 3 238.331 0.690 20 0 BCADHN CC(C)[C@@H](C(=O)Nc1c[nH]nn1)N(C)C ZINC000935596382 632849593 /nfs/dbraw/zinc/84/95/93/632849593.db2.gz IKLWSGWVSANUGP-QMMMGPOBSA-N 0 3 211.269 0.329 20 0 BCADHN COCC[C@H](N)C(=O)N1CCC[C@H](C)C1 ZINC000052790670 632898501 /nfs/dbraw/zinc/89/85/01/632898501.db2.gz KWKBHWJRLWDLEJ-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN CCC1(C(=O)NCCN(C)CCO)CCCC1 ZINC000925004395 635842008 /nfs/dbraw/zinc/84/20/08/635842008.db2.gz BJDRNBCAZOUQET-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN COCC[C@H](N)C(=O)N(C)[C@@H]1CCSC1 ZINC000052791345 632895010 /nfs/dbraw/zinc/89/50/10/632895010.db2.gz PSVKQKFYJRNZPG-BDAKNGLRSA-N 0 3 232.349 0.314 20 0 BCADHN COCC[C@@H](N)C(=O)N(C)CC(C)C ZINC000052791325 632895379 /nfs/dbraw/zinc/89/53/79/632895379.db2.gz IJKZANGEVDXTTJ-SECBINFHSA-N 0 3 202.298 0.465 20 0 BCADHN COCC[C@H](N)C(=O)NCC1CCCC1 ZINC000052791357 632895964 /nfs/dbraw/zinc/89/59/64/632895964.db2.gz ZQKZEYOFZAJKHT-JTQLQIEISA-N 0 3 214.309 0.657 20 0 BCADHN COCC[C@H](N)C(=O)Nc1nc(C)cs1 ZINC000052791090 632897538 /nfs/dbraw/zinc/89/75/38/632897538.db2.gz UAJCLYQFQDPWRO-ZETCQYMHSA-N 0 3 229.305 0.754 20 0 BCADHN CCCN(CCC)C(=O)[C@@H](N)CCOC ZINC000052790694 632898494 /nfs/dbraw/zinc/89/84/94/632898494.db2.gz PNCANBKOFCQKJL-JTQLQIEISA-N 0 3 216.325 0.999 20 0 BCADHN Cc1cc(NC[C@H](C)S(C)(=O)=O)nc(N)n1 ZINC000309300257 632909378 /nfs/dbraw/zinc/90/93/78/632909378.db2.gz SXUROQCBZRKSAG-ZETCQYMHSA-N 0 3 244.320 0.212 20 0 BCADHN Cc1cc(N(C)C[C@@H](O)C2CC2)nc(N)n1 ZINC000309310286 632919314 /nfs/dbraw/zinc/91/93/14/632919314.db2.gz WTYOMYDEZVTPBS-SECBINFHSA-N 0 3 222.292 0.574 20 0 BCADHN CC[C@@H](C)CCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924976312 635821096 /nfs/dbraw/zinc/82/10/96/635821096.db2.gz KLSYMYLUYAYHBL-ZJUUUORDSA-N 0 3 241.335 0.905 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1NCCOCCF ZINC000926736294 632921478 /nfs/dbraw/zinc/92/14/78/632921478.db2.gz UDILUMJLPLYFPX-QMMMGPOBSA-N 0 3 218.272 0.087 20 0 BCADHN CC(C)C[C@@H](O)CNC(=O)[C@H](N)CC(F)F ZINC000309335519 632944853 /nfs/dbraw/zinc/94/48/53/632944853.db2.gz UFDSXCYXZSMSFQ-HTQZYQBOSA-N 0 3 238.278 0.492 20 0 BCADHN C[C@@H](N)C(=O)Nc1nc(C(F)(F)F)c[nH]1 ZINC000309360396 632970945 /nfs/dbraw/zinc/97/09/45/632970945.db2.gz AJUJHUFUSPOOAF-GSVOUGTGSA-N 0 3 222.170 0.714 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000935762040 632995267 /nfs/dbraw/zinc/99/52/67/632995267.db2.gz ZARVIFBFIFAARF-KXNHARMFSA-N 0 3 238.331 0.620 20 0 BCADHN C/C=C/CN[C@@H]1C(=O)NCC12CCOCC2 ZINC000926764223 633006886 /nfs/dbraw/zinc/00/68/86/633006886.db2.gz BYMFVTJADRNPIN-VMZHVLLKSA-N 0 3 224.304 0.447 20 0 BCADHN CC(C)[C@@](C)(O)CN[C@@H](C)c1cnnn1C ZINC000925045451 635869076 /nfs/dbraw/zinc/86/90/76/635869076.db2.gz WEMSQWWKQOCRSA-ONGXEEELSA-N 0 3 226.324 0.873 20 0 BCADHN CCSCCNC1(CO)COC(C)(C)OC1 ZINC000309402991 633017644 /nfs/dbraw/zinc/01/76/44/633017644.db2.gz AKEMZVZMVGNUSZ-UHFFFAOYSA-N 0 3 249.376 0.843 20 0 BCADHN CC[C@H](C)N1CCN(c2cc(=O)[nH]cn2)CC1 ZINC000162839240 633039377 /nfs/dbraw/zinc/03/93/77/633039377.db2.gz PLCPDQWCFSOABR-JTQLQIEISA-N 0 3 236.319 0.690 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1NCCOc1cccnc1 ZINC000925062709 635881747 /nfs/dbraw/zinc/88/17/47/635881747.db2.gz AASJROBQGJSYHQ-NSHDSACASA-N 0 3 249.314 0.575 20 0 BCADHN COC1CC(NCCS(=O)(=O)CC2CC2)C1 ZINC000309419073 633043437 /nfs/dbraw/zinc/04/34/37/633043437.db2.gz DFUPUAFREHXTIK-UHFFFAOYSA-N 0 3 247.360 0.578 20 0 BCADHN CCNC(=O)C1(CNCc2c[nH]cn2)CCC1 ZINC000894556548 635906966 /nfs/dbraw/zinc/90/69/66/635906966.db2.gz YHKUXJKRWKKRSC-UHFFFAOYSA-N 0 3 236.319 0.806 20 0 BCADHN COC(=O)/C(C)=C\CN1CC[C@@H](O)C1(C)C ZINC000309424386 633054867 /nfs/dbraw/zinc/05/48/67/633054867.db2.gz YIHYCZPDHOCXJO-HYHWUIIZSA-N 0 3 227.304 0.951 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@H]1COCCO1 ZINC000309447921 633082416 /nfs/dbraw/zinc/08/24/16/633082416.db2.gz LTWYPBOEGQAJJU-WPRPVWTQSA-N 0 3 225.292 0.784 20 0 BCADHN CSC(C)(C)CNC(=O)COC1(C)CNC1 ZINC000165847187 633101383 /nfs/dbraw/zinc/10/13/83/633101383.db2.gz RVHGQPSMLCKNBQ-UHFFFAOYSA-N 0 3 246.376 0.623 20 0 BCADHN C[C@H](O)[C@H]1CCN(c2ccnc(CO)c2)C1 ZINC000166041413 633105294 /nfs/dbraw/zinc/10/52/94/633105294.db2.gz SHHXJBOPALGLCI-UWVGGRQHSA-N 0 3 222.288 0.781 20 0 BCADHN COCC[C@H](N)C(=O)N1CC[C@@H](C(C)C)C1 ZINC000166135527 633107817 /nfs/dbraw/zinc/10/78/17/633107817.db2.gz YCQILLBDSZGRBT-MNOVXSKESA-N 0 3 228.336 0.855 20 0 BCADHN CCONC(=O)N(CCOC)CCN(C)C ZINC000166442867 633113251 /nfs/dbraw/zinc/11/32/51/633113251.db2.gz XPIQLLHDFFPEFM-UHFFFAOYSA-N 0 3 233.312 0.158 20 0 BCADHN C[C@@H](N)c1cn(Cc2ncc(Cl)n2C)nn1 ZINC000167115685 633123296 /nfs/dbraw/zinc/12/32/96/633123296.db2.gz QAZBOQVXAQZWMV-ZCFIWIBFSA-N 0 3 240.698 0.733 20 0 BCADHN C[C@@H](N)c1cn(CCOCC(F)(F)F)nn1 ZINC000167145565 633125349 /nfs/dbraw/zinc/12/53/49/633125349.db2.gz DBMDUIFVCHTMPM-ZCFIWIBFSA-N 0 3 238.213 0.877 20 0 BCADHN C[C@H](N)c1cn(CCc2cccnc2)nn1 ZINC000167126952 633125573 /nfs/dbraw/zinc/12/55/73/633125573.db2.gz URQOKWMKSKQETJ-VIFPVBQESA-N 0 3 217.276 0.936 20 0 BCADHN C[C@H](N)c1cn(CCOCC(F)(F)F)nn1 ZINC000167145455 633125815 /nfs/dbraw/zinc/12/58/15/633125815.db2.gz DBMDUIFVCHTMPM-LURJTMIESA-N 0 3 238.213 0.877 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCN1C ZINC000928428634 635910427 /nfs/dbraw/zinc/91/04/27/635910427.db2.gz NQCIUSMPZPJWPQ-SFYZADRCSA-N 0 3 236.262 0.477 20 0 BCADHN Cc1nonc1CC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928428871 635910949 /nfs/dbraw/zinc/91/09/49/635910949.db2.gz ADCSHLUEXMJPGG-RKDXNWHRSA-N 0 3 238.291 0.129 20 0 BCADHN COC(CCN(C)[C@H]1CCCCNC1=O)OC ZINC000851750757 633178565 /nfs/dbraw/zinc/17/85/65/633178565.db2.gz FHXMANXWECAJKB-JTQLQIEISA-N 0 3 244.335 0.596 20 0 BCADHN CCN(CC[S@@](C)=O)CC(C)(C)O ZINC000308207595 633213316 /nfs/dbraw/zinc/21/33/16/633213316.db2.gz DHDQMPRBZSMERV-CYBMUJFWSA-N 0 3 207.339 0.458 20 0 BCADHN O=C1CC[C@@H](CN2CCC[C@H](OCCO)C2)O1 ZINC000851773035 633183751 /nfs/dbraw/zinc/18/37/51/633183751.db2.gz OUSZIYPPVDJWMJ-QWRGUYRKSA-N 0 3 243.303 0.165 20 0 BCADHN Cc1nc[nH]c1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928430282 635913911 /nfs/dbraw/zinc/91/39/11/635913911.db2.gz GCPHWUJPGRPCNY-BDAKNGLRSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1cn(C)nc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928430773 635915445 /nfs/dbraw/zinc/91/54/45/635915445.db2.gz JNAGQEQUFOEOSC-UWVGGRQHSA-N 0 3 236.319 0.551 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cc(F)c[nH]2)CCN1C ZINC000928431531 635917009 /nfs/dbraw/zinc/91/70/09/635917009.db2.gz FCVJFOSREZNFFL-VXNVDRBHSA-N 0 3 225.267 0.976 20 0 BCADHN O=S1(=O)CCC[C@@H](NCCOC2CCC2)C1 ZINC000309568184 633201302 /nfs/dbraw/zinc/20/13/02/633201302.db2.gz LRISYPJOPBZMPY-SNVBAGLBSA-N 0 3 247.360 0.722 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@H]2CC23CC3)CCN1C ZINC000928432605 635922219 /nfs/dbraw/zinc/92/22/19/635922219.db2.gz QWLRYZGCRIEPQF-OPRDCNLKSA-N 0 3 208.305 0.995 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@](C)(O)C2CCC2)CCN1C ZINC000928433457 635926248 /nfs/dbraw/zinc/92/62/48/635926248.db2.gz LWSNWYONNQWZSF-IRUJWGPZSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(F)F)CCN1C ZINC000928433902 635928359 /nfs/dbraw/zinc/92/83/59/635928359.db2.gz NLSJYHZJCMTULN-CSMHCCOUSA-N 0 3 218.247 0.850 20 0 BCADHN CC[C@H](CO)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928433824 635928444 /nfs/dbraw/zinc/92/84/44/635928444.db2.gz VEGGJGDMBPTAGB-IVZWLZJFSA-N 0 3 214.309 0.214 20 0 BCADHN Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928434587 635928452 /nfs/dbraw/zinc/92/84/52/635928452.db2.gz AAHLYRWVEOXLKI-MWLCHTKSSA-N 0 3 249.314 0.918 20 0 BCADHN CCN1CC[C@H]1CN[C@H](C)c1cnnn1C ZINC000926857127 633236612 /nfs/dbraw/zinc/23/66/12/633236612.db2.gz BLYAZINXDLSTGO-ZJUUUORDSA-N 0 3 223.324 0.560 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@H](O)c2ccccc2)CCN1C ZINC000928439180 635933390 /nfs/dbraw/zinc/93/33/90/635933390.db2.gz HXZQMVWOMXUMFI-RAIGVLPGSA-N 0 3 248.326 0.929 20 0 BCADHN C[C@H]1[C@@H](NC(=O)[C@H](O)c2ccccc2)CCN1C ZINC000928439193 635933518 /nfs/dbraw/zinc/93/35/18/635933518.db2.gz HXZQMVWOMXUMFI-WCFLWFBJSA-N 0 3 248.326 0.929 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCO2)CCN1C ZINC000928438834 635934905 /nfs/dbraw/zinc/93/49/05/635934905.db2.gz HPDGDYSBOKZJAR-VWYCJHECSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H](N)CC2CC2)C[C@H](C)O1 ZINC000304343474 635938708 /nfs/dbraw/zinc/93/87/08/635938708.db2.gz JFEDHRYQBJEALV-WCABBAIRSA-N 0 3 226.320 0.750 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)ncn1 ZINC000928442852 635947739 /nfs/dbraw/zinc/94/77/39/635947739.db2.gz RUQRMVACCPAPCC-ZJUUUORDSA-N 0 3 234.303 0.607 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2ccnn2C)CCN1C ZINC000928445574 635948824 /nfs/dbraw/zinc/94/88/24/635948824.db2.gz RWMFITCVDIEZMN-DTWKUNHWSA-N 0 3 222.292 0.243 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1C)C(=O)OC ZINC000928444524 635949740 /nfs/dbraw/zinc/94/97/40/635949740.db2.gz TZKMSAGCZPUQNW-OPRDCNLKSA-N 0 3 242.319 0.394 20 0 BCADHN C[C@H]1[C@@H](NC(=O)Cc2ccon2)CCN1C ZINC000928447070 635951772 /nfs/dbraw/zinc/95/17/72/635951772.db2.gz IWSGAJFJUYQBJC-WPRPVWTQSA-N 0 3 223.276 0.426 20 0 BCADHN Cc1nnsc1CN[C@H]1CCN(C)C1 ZINC000306149881 635957623 /nfs/dbraw/zinc/95/76/23/635957623.db2.gz CEHCGLCCOCTTPA-QMMMGPOBSA-N 0 3 212.322 0.640 20 0 BCADHN C[S@](=O)CCN1CCC[C@](C)(O)C1 ZINC000306773508 635974906 /nfs/dbraw/zinc/97/49/06/635974906.db2.gz IWAHHNAQSVBKGP-ZANVPECISA-N 0 3 205.323 0.212 20 0 BCADHN CON(C)C(=O)CNC1CC(OC(C)(C)C)C1 ZINC000895043231 636019163 /nfs/dbraw/zinc/01/91/63/636019163.db2.gz RHYZUVPBNAIJHE-UHFFFAOYSA-N 0 3 244.335 0.942 20 0 BCADHN C(CN1CCC2(C1)OCCO2)[C@H]1CCOC1 ZINC000307072658 635980838 /nfs/dbraw/zinc/98/08/38/635980838.db2.gz IROYXYARDJXOSG-NSHDSACASA-N 0 3 227.304 0.862 20 0 BCADHN CC(C)[C@@H](O)CN1CCC2(C1)OCCO2 ZINC000307264330 635985278 /nfs/dbraw/zinc/98/52/78/635985278.db2.gz BRTSZQVCYVVTDW-JTQLQIEISA-N 0 3 215.293 0.452 20 0 BCADHN Cn1cc(CNC[C@@H]2COCO2)c(C(F)F)n1 ZINC000894878942 635992647 /nfs/dbraw/zinc/99/26/47/635992647.db2.gz NTAPDESNENXFGY-MRVPVSSYSA-N 0 3 247.245 0.820 20 0 BCADHN Cn1cncc1CCN1CCc2ncncc2C1 ZINC000880600253 635998401 /nfs/dbraw/zinc/99/84/01/635998401.db2.gz YLMLQTZELNJAGH-UHFFFAOYSA-N 0 3 243.314 0.811 20 0 BCADHN CCn1cc(CNC[C@@H]2COCO2)c(C)n1 ZINC000894885985 635998756 /nfs/dbraw/zinc/99/87/56/635998756.db2.gz BFLPVIXNGQTDLP-LLVKDONJSA-N 0 3 225.292 0.674 20 0 BCADHN CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCO ZINC001029176110 636000118 /nfs/dbraw/zinc/00/01/18/636000118.db2.gz FTMNSNHRWKUOOH-PHIMTYICSA-N 0 3 226.320 0.454 20 0 BCADHN CS[C@H](CO)[C@@H](C)N[C@@H]1C(=O)NCC1(C)C ZINC000925115408 636080922 /nfs/dbraw/zinc/08/09/22/636080922.db2.gz ULPAURRNYVHMMD-IWSPIJDZSA-N 0 3 246.376 0.213 20 0 BCADHN C[C@@H](NC[C@@H]1CCCOC1)C1N=NC(=O)N1C ZINC000895173646 636115529 /nfs/dbraw/zinc/11/55/29/636115529.db2.gz ACUCZSYGWOQUQV-BDAKNGLRSA-N 0 3 240.307 0.598 20 0 BCADHN C[C@@H](NCCC[C@H]1CCO1)C1N=NC(=O)N1C ZINC000895173376 636115692 /nfs/dbraw/zinc/11/56/92/636115692.db2.gz XYUONECRTMQDCJ-BDAKNGLRSA-N 0 3 240.307 0.740 20 0 BCADHN OCCCCCCN1CCN(CCO)CC1 ZINC000175743073 633790292 /nfs/dbraw/zinc/79/02/92/633790292.db2.gz LPEULCKNYGMVNS-UHFFFAOYSA-N 0 3 230.352 0.149 20 0 BCADHN CC(=O)OC[C@@H](C)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000892988591 633794048 /nfs/dbraw/zinc/79/40/48/633794048.db2.gz IOZATIAXEMTXOM-MWLCHTKSSA-N 0 3 242.319 0.537 20 0 BCADHN CCC(=O)N[C@H]1C[C@H](NCc2cnc(C)cn2)C1 ZINC001019909551 633795974 /nfs/dbraw/zinc/79/59/74/633795974.db2.gz OURNWNGRNSKMFI-XYPYZODXSA-N 0 3 248.330 0.932 20 0 BCADHN CC[C@@H](COC)NC(=O)[C@@H](N)CC1CC1 ZINC000308858034 633824208 /nfs/dbraw/zinc/82/42/08/633824208.db2.gz OPBULNJNXHHPNS-UWVGGRQHSA-N 0 3 214.309 0.655 20 0 BCADHN 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/nfs/dbraw/zinc/21/14/86/637211486.db2.gz KZKGDUJZQPNLGY-UHFFFAOYSA-N 0 3 200.282 0.043 20 0 BCADHN CO[C@@H](C)C(=N)NOCc1cnns1 ZINC000902282627 637287605 /nfs/dbraw/zinc/28/76/05/637287605.db2.gz ULMZMSILGJBZOI-YFKPBYRVSA-N 0 3 216.266 0.571 20 0 BCADHN CCn1cnc(CNCCCc2nnnn2C)c1 ZINC000902695995 637326381 /nfs/dbraw/zinc/32/63/81/637326381.db2.gz UNOWYNGYJUGAEF-UHFFFAOYSA-N 0 3 249.322 0.149 20 0 BCADHN N[C@@H]1CN(Cc2cnns2)CC[C@H]1F ZINC000903464832 637362211 /nfs/dbraw/zinc/36/22/11/637362211.db2.gz YEKULGRXVMTDNB-HTQZYQBOSA-N 0 3 216.285 0.409 20 0 BCADHN CN(C)Cc1cnc(CNCCCON)s1 ZINC000904458563 637421491 /nfs/dbraw/zinc/42/14/91/637421491.db2.gz ZFUMVQLTWXJOHC-UHFFFAOYSA-N 0 3 244.364 0.575 20 0 BCADHN CCN(CCC(=O)NC)Cc1ccc(N)nn1 ZINC000904470255 637423657 /nfs/dbraw/zinc/42/36/57/637423657.db2.gz WCRRYDZPGZXHQR-UHFFFAOYSA-N 0 3 237.307 0.017 20 0 BCADHN Nc1ccc(CN[C@@H]2COC[C@H]2C2CC2)nn1 ZINC000904476905 637427932 /nfs/dbraw/zinc/42/79/32/637427932.db2.gz SRJZUPJJRYGMEF-WDEREUQCSA-N 0 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BCADHN C[C@H]1[C@@H](NC(=O)NCc2cccnc2)CCN1C ZINC000905147225 637655371 /nfs/dbraw/zinc/65/53/71/637655371.db2.gz DRYPQURVIQSFLU-JQWIXIFHSA-N 0 3 248.330 0.973 20 0 BCADHN COCCCNC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000905149830 637659338 /nfs/dbraw/zinc/65/93/38/637659338.db2.gz UMRXVIHALSFIBI-VHSXEESVSA-N 0 3 229.324 0.415 20 0 BCADHN Cc1cnccc1CNC[C@H](O)C1(O)CCC1 ZINC000905226880 637688900 /nfs/dbraw/zinc/68/89/00/637688900.db2.gz AWFCYFCWCGQJPJ-LBPRGKRZSA-N 0 3 236.315 0.756 20 0 BCADHN Cc1cc(CNC[C@H](O)C2(O)CCC2)ccn1 ZINC000905274321 637731190 /nfs/dbraw/zinc/73/11/90/637731190.db2.gz QCQZOBZKCAYADA-LBPRGKRZSA-N 0 3 236.315 0.756 20 0 BCADHN CCN1C[C@@H](NC[C@](C)(O)C(F)F)CC1=O ZINC000905278455 637734972 /nfs/dbraw/zinc/73/49/72/637734972.db2.gz GGFJXRDGBGQGEL-XVKPBYJWSA-N 0 3 236.262 0.213 20 0 BCADHN NC1(c2noc(C3(N)CCCC3)n2)CC1 ZINC000905314328 637741821 /nfs/dbraw/zinc/74/18/21/637741821.db2.gz GUZOVETYZHJXQD-UHFFFAOYSA-N 0 3 208.265 0.745 20 0 BCADHN C[C@H]1[C@@H](NCCF)CCN1C(=O)[C@H]1CCOC1 ZINC001074558440 711443720 /nfs/dbraw/zinc/44/37/20/711443720.db2.gz PJIIYFYYSVYDSG-DCAQKATOSA-N 0 3 244.310 0.571 20 0 BCADHN CC[C@](O)(CN[C@H](CO)COC)C(F)(F)F ZINC000905353194 637772890 /nfs/dbraw/zinc/77/28/90/637772890.db2.gz HQVWADLKSPVREM-SFYZADRCSA-N 0 3 245.241 0.287 20 0 BCADHN CC(C)(F)CNC[C@@H](O)C1(O)CCOCC1 ZINC000905397666 637795486 /nfs/dbraw/zinc/79/54/86/637795486.db2.gz GTXGLAYMNRAMDP-SECBINFHSA-N 0 3 235.299 0.227 20 0 BCADHN CCC[C@H](O)CCNCCS(C)(=O)=O ZINC000905588429 637856048 /nfs/dbraw/zinc/85/60/48/637856048.db2.gz KRPCBGNYYITIHW-VIFPVBQESA-N 0 3 223.338 0.172 20 0 BCADHN CSC[C@@H](O)CNCc1cncc(O)c1 ZINC000905627225 637861593 /nfs/dbraw/zinc/86/15/93/637861593.db2.gz UAKGLZCYJHLXFF-JTQLQIEISA-N 0 3 228.317 0.601 20 0 BCADHN COC[C@H](O)CNCc1cc(C2CC2)nn1C ZINC000905616961 637868201 /nfs/dbraw/zinc/86/82/01/637868201.db2.gz BMRFPWYEOJOVSN-LLVKDONJSA-N 0 3 239.319 0.394 20 0 BCADHN CSCCNC(=S)N[C@@H]1CCN(C)[C@@H]1C ZINC000905649060 637871132 /nfs/dbraw/zinc/87/11/32/637871132.db2.gz LUQNGIDJRVLQAQ-RKDXNWHRSA-N 0 3 247.433 0.906 20 0 BCADHN CCCCOC[C@H](O)CNCc1n[nH]c(C)n1 ZINC000905667627 637877531 /nfs/dbraw/zinc/87/75/31/637877531.db2.gz IGTKKJVQGAVESJ-SNVBAGLBSA-N 0 3 242.323 0.380 20 0 BCADHN Cc1nc(CNC[C@@H](O)c2ccccc2)n[nH]1 ZINC000905667984 637877712 /nfs/dbraw/zinc/87/77/12/637877712.db2.gz KBODETHBBLEXFI-LLVKDONJSA-N 0 3 232.287 0.936 20 0 BCADHN CCS(=O)(=O)CCNCC[C@H](O)C1CC1 ZINC000905691996 637885197 /nfs/dbraw/zinc/88/51/97/637885197.db2.gz QCDACMGBVABWGC-JTQLQIEISA-N 0 3 235.349 0.172 20 0 BCADHN O[C@H](CNC/C=C\Cl)C[C@]1(O)CCOC1 ZINC000905707979 637891959 /nfs/dbraw/zinc/89/19/59/637891959.db2.gz NGWVZKXXGCLXMX-PSMNYDHOSA-N 0 3 235.711 0.231 20 0 BCADHN CON1CC[C@H](N[C@H](C)Cn2cccn2)C1=O ZINC000905758970 637914910 /nfs/dbraw/zinc/91/49/10/637914910.db2.gz GEPXYINKFFAHLH-ZJUUUORDSA-N 0 3 238.291 0.024 20 0 BCADHN CON1CC[C@@H](N[C@@H](C)Cn2cccn2)C1=O ZINC000905758969 637914987 /nfs/dbraw/zinc/91/49/87/637914987.db2.gz GEPXYINKFFAHLH-VHSXEESVSA-N 0 3 238.291 0.024 20 0 BCADHN CC(C)NCc1cn(Cc2ccnc(N)c2)nn1 ZINC000905801979 637934299 /nfs/dbraw/zinc/93/42/99/637934299.db2.gz PFICOQZBECAFBP-UHFFFAOYSA-N 0 3 246.318 0.802 20 0 BCADHN CC[C@H](N)c1cn([C@@H]2CCN(OC)C2=O)nn1 ZINC000905838989 637940391 /nfs/dbraw/zinc/94/03/91/637940391.db2.gz GSXXSOVOTRWPNH-IONNQARKSA-N 0 3 239.279 0.023 20 0 BCADHN CCCN(CCO)CC[S@](=O)C(F)(F)F ZINC000905877610 637972321 /nfs/dbraw/zinc/97/23/21/637972321.db2.gz SLTFUXVEZNIYCG-HNNXBMFYSA-N 0 3 247.282 0.959 20 0 BCADHN COCC1CN(CCC(=O)Nc2cccnc2)C1 ZINC000905970006 637986609 /nfs/dbraw/zinc/98/66/09/637986609.db2.gz FTYJKNLMRQOUNA-UHFFFAOYSA-N 0 3 249.314 0.988 20 0 BCADHN C[C@@H]1CCN1C[C@H](O)C[C@](C)(O)C1CC1 ZINC000905971421 637986692 /nfs/dbraw/zinc/98/66/92/637986692.db2.gz BHNLMAAGAVEQGN-JLLWLGSASA-N 0 3 213.321 0.993 20 0 BCADHN COCC1CN(C[C@H](O)COC(C)C)C1 ZINC000905972539 637988717 /nfs/dbraw/zinc/98/87/17/637988717.db2.gz QPEQCXHBMPEPKZ-NSHDSACASA-N 0 3 217.309 0.351 20 0 BCADHN CC1(C)CN(C[C@H](O)C2(O)CCCC2)C1 ZINC000905952817 638000987 /nfs/dbraw/zinc/00/09/87/638000987.db2.gz RHGLBQHFDITCPY-JTQLQIEISA-N 0 3 213.321 0.994 20 0 BCADHN COC[C@@H]1CCN1C[C@@H](O)C1(O)CCCC1 ZINC000905955449 638003549 /nfs/dbraw/zinc/00/35/49/638003549.db2.gz FOUGEPZLBFNEKJ-WDEREUQCSA-N 0 3 229.320 0.373 20 0 BCADHN C[C@@H]1CN(C[C@H](O)C[C@@]2(O)CCOC2)[C@@H]1C ZINC000905955970 638003731 /nfs/dbraw/zinc/00/37/31/638003731.db2.gz JLVIMJQURBKLMW-KKOKHZNYSA-N 0 3 229.320 0.229 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000906093077 638051470 /nfs/dbraw/zinc/05/14/70/638051470.db2.gz LAXCYHRMYACICX-LOWVWBTDSA-N 0 3 240.347 0.855 20 0 BCADHN CCCCN1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000906533967 638201131 /nfs/dbraw/zinc/20/11/31/638201131.db2.gz LFJNMXJONGYBFH-NSHDSACASA-N 0 3 227.352 0.838 20 0 BCADHN COC(=O)CC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000906650390 638227846 /nfs/dbraw/zinc/22/78/46/638227846.db2.gz ICEJBPVPMFODQV-JTQLQIEISA-N 0 3 240.303 0.245 20 0 BCADHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)NC[C@H]1CCCN1C ZINC000906677076 638231765 /nfs/dbraw/zinc/23/17/65/638231765.db2.gz TYBLIZYVQVESJU-DDHJBXDOSA-N 0 3 240.347 0.868 20 0 BCADHN CCO[C@H]1[C@H](C(=O)N(C)CCN(C)C)[C@@H]1C ZINC000906883965 638268463 /nfs/dbraw/zinc/26/84/63/638268463.db2.gz ZTBBMGGFBKOCFK-HBNTYKKESA-N 0 3 228.336 0.677 20 0 BCADHN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N(C)CCN(C)C ZINC000906883963 638269163 /nfs/dbraw/zinc/26/91/63/638269163.db2.gz ZTBBMGGFBKOCFK-GARJFASQSA-N 0 3 228.336 0.677 20 0 BCADHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000906893767 638274001 /nfs/dbraw/zinc/27/40/01/638274001.db2.gz BOUUQPDNXVQHRU-GMTAPVOTSA-N 0 3 240.347 0.868 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)[C@@H](CC)N(C)C ZINC000907013112 638287966 /nfs/dbraw/zinc/28/79/66/638287966.db2.gz VVPMGLXPCKWLIQ-GMTAPVOTSA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@H](C(=O)NC(C)(C)CC(N)=O)N(C)C ZINC000907364232 638363530 /nfs/dbraw/zinc/36/35/30/638363530.db2.gz GVWUUYJPSZOQFQ-MRVPVSSYSA-N 0 3 229.324 0.097 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000907432337 638381109 /nfs/dbraw/zinc/38/11/09/638381109.db2.gz OGIIMLDCXRWQCT-JZYUNNQISA-N 0 3 240.347 0.912 20 0 BCADHN Cc1cc(N2CCC(O)CC2)nc(N)n1 ZINC000043532836 638518260 /nfs/dbraw/zinc/51/82/60/638518260.db2.gz QOSJPMIQITYBSD-UHFFFAOYSA-N 0 3 208.265 0.328 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)CCF)CC1 ZINC000908030565 638550420 /nfs/dbraw/zinc/55/04/20/638550420.db2.gz XEOYVMHGXZHGJV-UHFFFAOYSA-N 0 3 204.245 0.488 20 0 BCADHN O=C(O[C@H]1CNOC1)[C@@H]1CC[C@H]2CCCCN21 ZINC000908118580 638573053 /nfs/dbraw/zinc/57/30/53/638573053.db2.gz LALSKCGXCOCRFH-VWYCJHECSA-N 0 3 240.303 0.450 20 0 BCADHN O=C(N[C@@H](CO)CN1CCCC1)C1=CCCC1 ZINC000908203230 638608418 /nfs/dbraw/zinc/60/84/18/638608418.db2.gz LBXATDPGJLBOSL-GFCCVEGCSA-N 0 3 238.331 0.670 20 0 BCADHN CS/C=C/C(=O)N[C@H](CO)CN1CCCC1 ZINC000908204647 638610127 /nfs/dbraw/zinc/61/01/27/638610127.db2.gz SEJAEUSCPPEKRO-QBBOHKLWSA-N 0 3 244.360 0.436 20 0 BCADHN C/C=C/C=C/C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908202877 638611008 /nfs/dbraw/zinc/61/10/08/638611008.db2.gz APFHIGJHVLJDTC-ZNOLUKTJSA-N 0 3 238.331 0.692 20 0 BCADHN Cn1cc(NC(=O)[C@@H]2CC[C@@H]3CCCCN32)nn1 ZINC000908321000 638643439 /nfs/dbraw/zinc/64/34/39/638643439.db2.gz QMPYVMONXFBFGK-UWVGGRQHSA-N 0 3 249.318 0.771 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000908347157 638660076 /nfs/dbraw/zinc/66/00/76/638660076.db2.gz JFSFQWTWSVWGDF-QCNOEVLYSA-N 0 3 240.347 0.556 20 0 BCADHN C/C=C/[C@H](O)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000908348361 638660891 /nfs/dbraw/zinc/66/08/91/638660891.db2.gz NFOCDGJOJCKLDV-QDVNPKLESA-N 0 3 224.304 0.086 20 0 BCADHN Cc1ncc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)n1C ZINC000908349754 638662389 /nfs/dbraw/zinc/66/23/89/638662389.db2.gz TYLMQXNXNFTIQP-PWSUYJOCSA-N 0 3 248.330 0.505 20 0 BCADHN C[C@H]1C[C@@H](C(=O)NC2CC(=O)C2)CCN1C ZINC000908472060 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/nfs/dbraw/zinc/23/64/27/640236427.db2.gz ZQRGLBJOKAAIQR-LLVKDONJSA-N 0 3 248.330 0.567 20 0 BCADHN COCCN1CCc2nccc(N)c2C1 ZINC000931510583 640243771 /nfs/dbraw/zinc/24/37/71/640243771.db2.gz WKZNPDYWBFVAMZ-UHFFFAOYSA-N 0 3 207.277 0.668 20 0 BCADHN C[C@@H](C(=O)N1CC[C@H](N2CCC2)C1)N(C)C ZINC000912903557 640248946 /nfs/dbraw/zinc/24/89/46/640248946.db2.gz NFYMLEQQVXGVED-QWRGUYRKSA-N 0 3 225.336 0.243 20 0 BCADHN C[C@H](C(=O)N1CC[C@H](N2CCC2)C1)N(C)C ZINC000912903556 640250697 /nfs/dbraw/zinc/25/06/97/640250697.db2.gz NFYMLEQQVXGVED-MNOVXSKESA-N 0 3 225.336 0.243 20 0 BCADHN COC/C(C)=C\CN1CCC(CO)(CO)CC1 ZINC000931611688 640288184 /nfs/dbraw/zinc/28/81/84/640288184.db2.gz JJBLIOTZUBAQHG-BASWHVEKSA-N 0 3 243.347 0.646 20 0 BCADHN CC1CC(CN(C)CCS(N)(=O)=O)C1 ZINC000931616272 640289299 /nfs/dbraw/zinc/28/92/99/640289299.db2.gz AMOOEDGEPFGAGK-UHFFFAOYSA-N 0 3 220.338 0.253 20 0 BCADHN CN(C(=O)NCC(F)F)[C@H]1CCCN(C)C1 ZINC000931633422 640297465 /nfs/dbraw/zinc/29/74/65/640297465.db2.gz CBAIWOGGNITUBC-QMMMGPOBSA-N 0 3 235.278 0.987 20 0 BCADHN COC/C(C)=C\CN[C@@H]1C(=O)NCC1(C)C ZINC000931651568 640301899 /nfs/dbraw/zinc/30/18/99/640301899.db2.gz RBMNPLARYKPFIT-HYHWUIIZSA-N 0 3 226.320 0.693 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1cc(=O)cc[nH]1 ZINC000931662111 640307797 /nfs/dbraw/zinc/30/77/97/640307797.db2.gz CUDOFWIDUJJKML-SNVBAGLBSA-N 0 3 249.314 0.541 20 0 BCADHN Cc1c[nH]c(CNC(=O)c2[nH]nc3c2CCC3)n1 ZINC000913216534 640330464 /nfs/dbraw/zinc/33/04/64/640330464.db2.gz OWYVZMSEFXQJEM-UHFFFAOYSA-N 0 3 245.286 0.860 20 0 BCADHN COC/C(C)=C\CN1CC[C@](O)(C(=O)OC)C1 ZINC000931708504 640330621 /nfs/dbraw/zinc/33/06/21/640330621.db2.gz GMFSUBPDRWFUPT-GFSSTFBJSA-N 0 3 243.303 0.189 20 0 BCADHN CC[C@H](CO)NCc1cc(C)nc(C)n1 ZINC000931771817 640364759 /nfs/dbraw/zinc/36/47/59/640364759.db2.gz JIMIFTJGJFYPJF-SNVBAGLBSA-N 0 3 209.293 0.954 20 0 BCADHN Cc1c[nH]c(CNC(=O)CN(C)C2CCC2)n1 ZINC000913209594 640335626 /nfs/dbraw/zinc/33/56/26/640335626.db2.gz WBOZSCPGBKEMPP-UHFFFAOYSA-N 0 3 236.319 0.819 20 0 BCADHN C[C@H]1C[C@H](N2C(=O)CN(C)C2=O)CN1C1CC1 ZINC000348982588 640352382 /nfs/dbraw/zinc/35/23/82/640352382.db2.gz YVWHFKSBUSKLCE-WPRPVWTQSA-N 0 3 237.303 0.506 20 0 BCADHN CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cn[nH]n1 ZINC000913533576 640387360 /nfs/dbraw/zinc/38/73/60/640387360.db2.gz SKUTWCIPEAJURC-PHIMTYICSA-N 0 3 249.318 0.042 20 0 BCADHN CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]nn1 ZINC000913533576 640387370 /nfs/dbraw/zinc/38/73/70/640387370.db2.gz SKUTWCIPEAJURC-PHIMTYICSA-N 0 3 249.318 0.042 20 0 BCADHN COC[C@@H](O)CN1CC[C@@H](c2noc(C)n2)C1 ZINC000931938577 640397157 /nfs/dbraw/zinc/39/71/57/640397157.db2.gz SWYOESDEKMJQNM-ZJUUUORDSA-N 0 3 241.291 0.175 20 0 BCADHN CNC(=O)CCN1CC[C@@H](c2noc(C)n2)C1 ZINC000931947128 640403177 /nfs/dbraw/zinc/40/31/77/640403177.db2.gz PGXFGCWBWRSXLY-SECBINFHSA-N 0 3 238.291 0.303 20 0 BCADHN c1cnc(CNC[C@@H]2CCCOC2)cn1 ZINC000054766576 640407149 /nfs/dbraw/zinc/40/71/49/640407149.db2.gz YKDIATANIFLXFJ-JTQLQIEISA-N 0 3 207.277 0.993 20 0 BCADHN c1cnc(CN[C@@H]2CCN(C3CC3)C2)cn1 ZINC000054766712 640408166 /nfs/dbraw/zinc/40/81/66/640408166.db2.gz NDAJMIMOLNRZGB-SNVBAGLBSA-N 0 3 218.304 0.803 20 0 BCADHN CC(C)C[C@H](O)CNCc1cncnc1 ZINC000163818669 640419457 /nfs/dbraw/zinc/41/94/57/640419457.db2.gz LONVFNJNYIHCCV-NSHDSACASA-N 0 3 209.293 0.973 20 0 BCADHN Cc1ccc(CC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000036285553 640453225 /nfs/dbraw/zinc/45/32/25/640453225.db2.gz PEPZNCVKKIPUCU-ZDUSSCGKSA-N 0 3 248.326 0.642 20 0 BCADHN CCOC[C@H](C)NCC(=O)NC(C)C ZINC000044724161 640461212 /nfs/dbraw/zinc/46/12/12/640461212.db2.gz IHXMNPNGCRZBFG-VIFPVBQESA-N 0 3 202.298 0.526 20 0 BCADHN C[C@@H]1CCN(C[C@H](O)CC2(O)CCC2)CCO1 ZINC000932336490 640476754 /nfs/dbraw/zinc/47/67/54/640476754.db2.gz QIVJRNXMAZAOJO-VXGBXAGGSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@@H]1CCN(C[C@@H]2C[C@@H]3COC[C@H]3O2)CCO1 ZINC000932334711 640478894 /nfs/dbraw/zinc/47/88/94/640478894.db2.gz DAYRTOGFFOWUFR-FVCCEPFGSA-N 0 3 241.331 0.901 20 0 BCADHN C[C@@H]1CCN(C[C@@H]2COCCO2)CCO1 ZINC000932336986 640480996 /nfs/dbraw/zinc/48/09/96/640480996.db2.gz PPTZNNDGBLIAKW-GHMZBOCLSA-N 0 3 215.293 0.513 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1ccc(C)nc1 ZINC000164808293 640507864 /nfs/dbraw/zinc/50/78/64/640507864.db2.gz VRLDCHRQEZGKDM-SNVBAGLBSA-N 0 3 223.276 0.692 20 0 BCADHN C[C@H](NCc1cnc[nH]1)C(=O)NC(C)(C)C ZINC000157059374 640568007 /nfs/dbraw/zinc/56/80/07/640568007.db2.gz DEHFMCROZVEBLU-QMMMGPOBSA-N 0 3 224.308 0.803 20 0 BCADHN CC[C@@](C)(O)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000932553298 640575647 /nfs/dbraw/zinc/57/56/47/640575647.db2.gz OAPJUBVFYJVRCG-WCQYABFASA-N 0 3 240.347 0.843 20 0 BCADHN CCOC(=O)[C@@H]1CCN(C[C@](C)(O)C(C)=O)C1 ZINC000932637446 640592594 /nfs/dbraw/zinc/59/25/94/640592594.db2.gz ASQCLCWZQQWAPE-PWSUYJOCSA-N 0 3 243.303 0.211 20 0 BCADHN CCOC(=O)[C@@H]1CCN(C[C@@](C)(O)C(C)=O)C1 ZINC000932637447 640593456 /nfs/dbraw/zinc/59/34/56/640593456.db2.gz ASQCLCWZQQWAPE-ZYHUDNBSSA-N 0 3 243.303 0.211 20 0 BCADHN CCOCCN1CCC2(CCNC(=O)O2)CC1 ZINC000932759590 640608501 /nfs/dbraw/zinc/60/85/01/640608501.db2.gz WLLSIOZJXGSGRA-UHFFFAOYSA-N 0 3 242.319 0.987 20 0 BCADHN C[C@H]1C(=O)CCCN1C[C@H](O)CN(C)C1CC1 ZINC000932848879 640622530 /nfs/dbraw/zinc/62/25/30/640622530.db2.gz MIMLWODENQSTOT-CMPLNLGQSA-N 0 3 240.347 0.495 20 0 BCADHN NC(=O)C12CCC(CC1)N2C[C@H]1CCCO1 ZINC000932932776 640644737 /nfs/dbraw/zinc/64/47/37/640644737.db2.gz LUAZTXQZJAOJFA-SQLBVSGCSA-N 0 3 224.304 0.648 20 0 BCADHN CCCCN1CC(NC(=O)[C@H]2CCCN2C)C1 ZINC001030160754 640645776 /nfs/dbraw/zinc/64/57/76/640645776.db2.gz GAZIACNDHKZQQE-GFCCVEGCSA-N 0 3 239.363 0.681 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CC[C@H](OCC)C1 ZINC000932969606 640655188 /nfs/dbraw/zinc/65/51/88/640655188.db2.gz MNIWLWXFAFJHOC-JQWIXIFHSA-N 0 3 245.319 0.411 20 0 BCADHN CO[C@@H](C)[C@H](C)NC[C@H](O)C(F)(F)F ZINC000166809276 640677857 /nfs/dbraw/zinc/67/78/57/640677857.db2.gz AUNASWRLFWRGOM-ACZMJKKPSA-N 0 3 215.215 0.923 20 0 BCADHN CC[C@H]1C(=O)NCCCN1CCC(C)(C)O ZINC000933225292 640685935 /nfs/dbraw/zinc/68/59/35/640685935.db2.gz PUOHXXAIKHSIDM-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@H]1C(=O)NCCCN1C[C@H](COC)OC ZINC000933231558 640688271 /nfs/dbraw/zinc/68/82/71/640688271.db2.gz NLZSSODTSPIXAJ-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN CC[C@H]1C(=O)NCCCN1CCC[C@@H](C)O ZINC000933230988 640688330 /nfs/dbraw/zinc/68/83/30/640688330.db2.gz OZOTXKJZNHDMGV-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@H]1C(=O)NCCCN1CCSC ZINC000933228019 640688450 /nfs/dbraw/zinc/68/84/50/640688450.db2.gz KZLKGPYEQDOSIL-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NCC1(O)CCC1 ZINC000933266640 640694321 /nfs/dbraw/zinc/69/43/21/640694321.db2.gz XUMBPVIEJSGBHK-LLVKDONJSA-N 0 3 240.347 0.890 20 0 BCADHN CCC1(CC)CNC(=O)[C@@H]1NCC[S@](C)=O ZINC000933285538 640697671 /nfs/dbraw/zinc/69/76/71/640697671.db2.gz TYFVKFSDWJAMMB-FVMDXXJSSA-N 0 3 246.376 0.259 20 0 BCADHN C[C@H](N)c1cn(C[C@@H]2CCCCO2)nn1 ZINC000167131754 640704573 /nfs/dbraw/zinc/70/45/73/640704573.db2.gz KDNYLIROPTWTIH-IUCAKERBSA-N 0 3 210.281 0.867 20 0 BCADHN COC[C@@H]1COCCN1CC1CCOCC1 ZINC000933337965 640706739 /nfs/dbraw/zinc/70/67/39/640706739.db2.gz XVWYDGBCPYBJAX-GFCCVEGCSA-N 0 3 229.320 0.760 20 0 BCADHN CNC(=O)[C@@H]1CCCN(c2cc(C)nc(N)n2)C1 ZINC000225736473 640707725 /nfs/dbraw/zinc/70/77/25/640707725.db2.gz ZMQZPACQTXRJQQ-SECBINFHSA-N 0 3 249.318 0.330 20 0 BCADHN CNC(=O)CN[C@]12C[C@H]1COC21CCC1 ZINC000933387035 640712001 /nfs/dbraw/zinc/71/20/01/640712001.db2.gz QIZGVXVCGFOOLW-GZMMTYOYSA-N 0 3 210.277 0.034 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)Nc2cnn(C)c2)C1 ZINC000167399794 640716908 /nfs/dbraw/zinc/71/69/08/640716908.db2.gz AOQRKMRHYUTQKT-WCBMZHEXSA-N 0 3 222.292 0.747 20 0 BCADHN C[C@@H](O)CN1CCC(N2CCCOC2=O)CC1 ZINC000933616960 640736218 /nfs/dbraw/zinc/73/62/18/640736218.db2.gz UEOYSLMHJMBCQT-SNVBAGLBSA-N 0 3 242.319 0.674 20 0 BCADHN CC[C@H](O)CN1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933671670 640742294 /nfs/dbraw/zinc/74/22/94/640742294.db2.gz ZDQNRCDEILFVNN-AVGNSLFASA-N 0 3 243.347 0.885 20 0 BCADHN C[C@H](CO)CN1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933693441 640746548 /nfs/dbraw/zinc/74/65/48/640746548.db2.gz VFASWKFBEMOKAC-XQQFMLRXSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@H](CC(N)=O)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000226324889 640747582 /nfs/dbraw/zinc/74/75/82/640747582.db2.gz KZFYODSFVNYAHC-SSDOTTSWSA-N 0 3 226.251 0.885 20 0 BCADHN O=S1(=O)C[C@H]2CN(CC3CC3)C[C@H]2C1 ZINC000933729495 640752777 /nfs/dbraw/zinc/75/27/77/640752777.db2.gz VYGIZGXHZOMWCR-AOOOYVTPSA-N 0 3 215.318 0.373 20 0 BCADHN COCC[C@H](C)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933728862 640754296 /nfs/dbraw/zinc/75/42/96/640754296.db2.gz OVACFSXFWMGBKE-GARJFASQSA-N 0 3 247.360 0.388 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)NCC(C)(C)O ZINC000933827299 640769265 /nfs/dbraw/zinc/76/92/65/640769265.db2.gz UCXHPFDUVASQSS-JTQLQIEISA-N 0 3 228.336 0.746 20 0 BCADHN CCOC(=O)/C=C/CN(CC)CCC(=O)NC ZINC000933859785 640772995 /nfs/dbraw/zinc/77/29/95/640772995.db2.gz PLPOLPXQRDSMSP-VOTSOKGWSA-N 0 3 242.319 0.564 20 0 BCADHN COCCN1CCC[C@H]1C1OCCO1 ZINC000933898279 640786010 /nfs/dbraw/zinc/78/60/10/640786010.db2.gz AOXJAIZOBTZQGM-VIFPVBQESA-N 0 3 201.266 0.470 20 0 BCADHN COC[C@@H](O)CN[C@@H]1CCc2cccnc21 ZINC000226821408 640793195 /nfs/dbraw/zinc/79/31/95/640793195.db2.gz COXDTYVYQRQKHT-WDEREUQCSA-N 0 3 222.288 0.666 20 0 BCADHN OC[C@H]1CCN1C[C@H]1CCC2(COC2)O1 ZINC000934015158 640807658 /nfs/dbraw/zinc/80/76/58/640807658.db2.gz NKPQJEALZKOUGQ-NXEZZACHSA-N 0 3 213.277 0.001 20 0 BCADHN OC[C@@H]1CCN1C[C@@H]1CCC2(COC2)O1 ZINC000934015159 640808805 /nfs/dbraw/zinc/80/88/05/640808805.db2.gz NKPQJEALZKOUGQ-UWVGGRQHSA-N 0 3 213.277 0.001 20 0 BCADHN [O-]c1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1F ZINC000227116676 640815476 /nfs/dbraw/zinc/81/54/76/640815476.db2.gz NWYJZJCURBOFIA-LBPRGKRZSA-N 0 3 241.262 0.772 20 0 BCADHN CC[C@H](C)N(CC)C(=O)[C@H](CN)OC ZINC000227348132 640828741 /nfs/dbraw/zinc/82/87/41/640828741.db2.gz UDLPHYMMEUOHKL-IUCAKERBSA-N 0 3 202.298 0.607 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H](C)c1ccccn1 ZINC000227349472 640828600 /nfs/dbraw/zinc/82/86/00/640828600.db2.gz RPJRTWYKUCMHET-SCZZXKLOSA-N 0 3 223.276 0.233 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000227383442 640830443 /nfs/dbraw/zinc/83/04/43/640830443.db2.gz HZJOGNRIWGXSLD-YIZRAAEISA-N 0 3 200.282 0.265 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000227379135 640830768 /nfs/dbraw/zinc/83/07/68/640830768.db2.gz LUHQUYBOISJXEW-WOPDTQHZSA-N 0 3 234.299 0.632 20 0 BCADHN O[C@@H]1CC[C@H](CNCc2cnccn2)C1 ZINC000227558967 640841297 /nfs/dbraw/zinc/84/12/97/640841297.db2.gz ZLYJAUDBSCGASZ-GXSJLCMTSA-N 0 3 207.277 0.727 20 0 BCADHN O[C@H]1CC[C@H](CNCc2cnccn2)C1 ZINC000227558974 640841375 /nfs/dbraw/zinc/84/13/75/640841375.db2.gz ZLYJAUDBSCGASZ-ONGXEEELSA-N 0 3 207.277 0.727 20 0 BCADHN COC[C@@H](CNc1cc(C)nc(N)n1)OC ZINC000227700705 640845849 /nfs/dbraw/zinc/84/58/49/640845849.db2.gz OOBPQWNVOGYYBY-MRVPVSSYSA-N 0 3 226.280 0.441 20 0 BCADHN C[C@H]1OCC[C@]1(O)CNCc1ccoc1 ZINC000227970963 640855738 /nfs/dbraw/zinc/85/57/38/640855738.db2.gz FURBYKBBVZJAGO-KOLCDFICSA-N 0 3 211.261 0.909 20 0 BCADHN C[C@H]1OCC[C@]1(O)CNCc1c[nH]cn1 ZINC000227971004 640855868 /nfs/dbraw/zinc/85/58/68/640855868.db2.gz GKYVRSNKSOHWHP-SCZZXKLOSA-N 0 3 211.265 0.039 20 0 BCADHN COCC[C@@H](N)C(=O)NCC(C)(C)SC ZINC000229108698 640923626 /nfs/dbraw/zinc/92/36/26/640923626.db2.gz IVFVMNXJNFWDSF-MRVPVSSYSA-N 0 3 234.365 0.608 20 0 BCADHN COC[C@@H](CO)NC[C@H](O)c1ccccc1 ZINC000229182874 640930379 /nfs/dbraw/zinc/93/03/79/640930379.db2.gz KFHODOYSKJMRAA-NEPJUHHUSA-N 0 3 225.288 0.317 20 0 BCADHN C[S@](=O)CCNC[C@@H](O)c1ccccc1F ZINC000229191659 640931833 /nfs/dbraw/zinc/93/18/33/640931833.db2.gz GUNAEGARZDTZGD-BZNIZROVSA-N 0 3 245.319 0.827 20 0 BCADHN COC[C@@H](CO)NC[C@H](O)c1ccccc1F ZINC000229190466 640931952 /nfs/dbraw/zinc/93/19/52/640931952.db2.gz IJAPOPAEYYALDI-SKDRFNHKSA-N 0 3 243.278 0.456 20 0 BCADHN COCC[C@@H](N)C(=O)NCC1CCSCC1 ZINC000229269806 640940813 /nfs/dbraw/zinc/94/08/13/640940813.db2.gz IRVGIVUBCLZOSD-SNVBAGLBSA-N 0 3 246.376 0.610 20 0 BCADHN COCC[C@H](N)C(=O)N1CCC(C)(C)CC1 ZINC000061820989 640996142 /nfs/dbraw/zinc/99/61/42/640996142.db2.gz REUHXUYPTVZZOW-JTQLQIEISA-N 0 3 228.336 0.999 20 0 BCADHN CC(C)CN1CCN(CN2CCCC2=O)CC1 ZINC000172063704 641032503 /nfs/dbraw/zinc/03/25/03/641032503.db2.gz TWUYBHAJWDROBZ-UHFFFAOYSA-N 0 3 239.363 0.840 20 0 BCADHN COCC[C@@H](N)C(=O)NC[C@]1(C)CCCS1 ZINC000087796577 641047688 /nfs/dbraw/zinc/04/76/88/641047688.db2.gz HMIFKNBUXZLXMD-KOLCDFICSA-N 0 3 246.376 0.752 20 0 BCADHN COC(=O)/C(C)=C/CN1CCC[C@@]1(C)CO ZINC000723048264 711497791 /nfs/dbraw/zinc/49/77/91/711497791.db2.gz HEJGHUWOTWYRLK-DJTWPOEFSA-N 0 3 227.304 0.953 20 0 BCADHN O=C1CCN(Cc2c[nH]nn2)CCCCCN1 ZINC000934154641 641093724 /nfs/dbraw/zinc/09/37/24/641093724.db2.gz LTBYUIMVHGYBEW-UHFFFAOYSA-N 0 3 237.307 0.297 20 0 BCADHN OCCN(CCN1CCCC1)CC(F)F ZINC000231347142 641161095 /nfs/dbraw/zinc/16/10/95/641161095.db2.gz PIYQNRXNNBIPKJ-UHFFFAOYSA-N 0 3 222.279 0.642 20 0 BCADHN CCO[C@H]1CCN(CCc2cn(C)nn2)C1 ZINC000932972488 641165506 /nfs/dbraw/zinc/16/55/06/641165506.db2.gz SEGKZNLSLDLLNE-NSHDSACASA-N 0 3 224.308 0.468 20 0 BCADHN CCC(=O)N[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001021742493 641180415 /nfs/dbraw/zinc/18/04/15/641180415.db2.gz DVPKXAJMZQMCMV-AOOOYVTPSA-N 0 3 236.319 0.567 20 0 BCADHN CC(=O)N[C@H]1C[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001021750804 641192130 /nfs/dbraw/zinc/19/21/30/641192130.db2.gz BFJGTPWCGSAEEB-DRTBCBBWSA-N 0 3 237.307 0.431 20 0 BCADHN Cc1nccn1CCCN1CC[C@H](O)[C@@H](F)C1 ZINC000934569691 641201016 /nfs/dbraw/zinc/20/10/16/641201016.db2.gz YWQSAMDJVFXTMV-RYUDHWBXSA-N 0 3 241.310 0.986 20 0 BCADHN CCC[C@H](O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000934573797 641203965 /nfs/dbraw/zinc/20/39/65/641203965.db2.gz DBZDURPPLWAJQU-JLLWLGSASA-N 0 3 240.347 0.746 20 0 BCADHN CCN(C)C(=O)[C@H](C)Nc1cc(C)nc(N)n1 ZINC000231880643 641212300 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DYAKALWXMOMUHR-QMMMGPOBSA-N 0 3 243.332 0.187 20 0 BCADHN C[C@H](NCCN1CCNC1=O)c1cnccc1N ZINC000925776722 646474441 /nfs/dbraw/zinc/47/44/41/646474441.db2.gz IBMFZCJXISJMEY-VIFPVBQESA-N 0 3 249.318 0.170 20 0 BCADHN C[C@H](O)[C@H](O)CN[C@H](CCO)c1ccccc1 ZINC000930189937 646484301 /nfs/dbraw/zinc/48/43/01/646484301.db2.gz FARSMHUTPRMFJK-CYZMBNFOSA-N 0 3 239.315 0.441 20 0 BCADHN C[C@H]1C[C@H](N[C@H]2CNOC2)CN1C1CC1 ZINC000925869269 646520390 /nfs/dbraw/zinc/52/03/90/646520390.db2.gz YOJPLFSAJAMTLF-GUBZILKMSA-N 0 3 211.309 0.105 20 0 BCADHN C1C[C@H](N[C@H]2CNOC2)[C@H]2SCCS[C@H]12 ZINC000925871166 646521595 /nfs/dbraw/zinc/52/15/95/646521595.db2.gz OUHZVDDXQKFALH-AXTSPUMRSA-N 0 3 246.401 0.859 20 0 BCADHN CCN(CC)C(=O)C[C@@H](C)N[C@H]1CNOC1 ZINC000925873870 646524904 /nfs/dbraw/zinc/52/49/04/646524904.db2.gz UOYANCWPZPVXPB-ZJUUUORDSA-N 0 3 229.324 0.126 20 0 BCADHN COC[C@H](CN[C@@H](C)c1ccnnc1)OC ZINC000926121380 646578162 /nfs/dbraw/zinc/57/81/62/646578162.db2.gz RHXKPSUVBQBFDM-ONGXEEELSA-N 0 3 225.292 0.789 20 0 BCADHN C[C@@H](N[C@@H](C)C[C@H](C)O)c1cnnn1C ZINC000926126246 646579430 /nfs/dbraw/zinc/57/94/30/646579430.db2.gz PFQPRRUWNYGEDL-XHNCKOQMSA-N 0 3 212.297 0.625 20 0 BCADHN Cn1ccc(CCN[C@@H]2C(=O)NCC2(C)C)n1 ZINC000926172691 646589478 /nfs/dbraw/zinc/58/94/78/646589478.db2.gz WSYYSNYNZQPOMM-SNVBAGLBSA-N 0 3 236.319 0.077 20 0 BCADHN C[C@H](N[C@@H]1CCOC[C@H]1C)c1cnn(C)n1 ZINC000926287355 646612011 /nfs/dbraw/zinc/61/20/11/646612011.db2.gz MZMALIMROFRHHF-KXUCPTDWSA-N 0 3 224.308 0.891 20 0 BCADHN C[S@@](=O)C1(CN[C@@H]2C(=O)NCC2(C)C)CC1 ZINC000926357517 646624818 /nfs/dbraw/zinc/62/48/18/646624818.db2.gz IXUSYZCXEVOREY-VPTHRUTESA-N 0 3 244.360 0.012 20 0 BCADHN CCn1nc(C)c([C@@H](C)NCCN(C)C)n1 ZINC000926420172 646632503 /nfs/dbraw/zinc/63/25/03/646632503.db2.gz KDVHAJNABYPQOH-SECBINFHSA-N 0 3 225.340 0.819 20 0 BCADHN CO[C@H](CN[C@@H](C)c1cnnn1C)C1CC1 ZINC000926489989 646660474 /nfs/dbraw/zinc/66/04/74/646660474.db2.gz SZHYECXXSNGVQF-GZMMTYOYSA-N 0 3 224.308 0.891 20 0 BCADHN COC[C@@](C)(CO)NC/C=C(\C)C(=O)OC ZINC000716801099 711583830 /nfs/dbraw/zinc/58/38/30/711583830.db2.gz CXXIFRWXOKDYSL-FZPLPXEFSA-N 0 3 231.292 0.093 20 0 BCADHN C[S@](=O)CCN[C@H](CO)c1ccccc1 ZINC000309081303 711589091 /nfs/dbraw/zinc/58/90/91/711589091.db2.gz PZCCEQFZXARZTD-ABAIWWIYSA-N 0 3 227.329 0.688 20 0 BCADHN CCC(CC)(CO)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928429411 711771900 /nfs/dbraw/zinc/77/19/00/711771900.db2.gz CBXPAAOVXGRPFU-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN COC[C@H](CN1CCOC[C@@H]1CCO)C(C)C ZINC000721983650 711858063 /nfs/dbraw/zinc/85/80/63/711858063.db2.gz OIAJUBBPJLPICP-STQMWFEESA-N 0 3 245.363 0.988 20 0 BCADHN CCN1CC[C@H](NC(=O)O[C@@H](C)COC)C1 ZINC000704439439 711884291 /nfs/dbraw/zinc/88/42/91/711884291.db2.gz AEFYFRORYZMIOI-UWVGGRQHSA-N 0 3 230.308 0.842 20 0 BCADHN CCNC(=O)[C@@H](NCc1cnc[nH]1)C(C)C ZINC000382425471 711940297 /nfs/dbraw/zinc/94/02/97/711940297.db2.gz YANGQPCVZYFTOZ-JTQLQIEISA-N 0 3 224.308 0.660 20 0 BCADHN C[C@H](C1CC1)N1CCN(C(=O)CN(C)C)CC1 ZINC000929258959 711950487 /nfs/dbraw/zinc/95/04/87/711950487.db2.gz KSENJUNUZNLLFS-LLVKDONJSA-N 0 3 239.363 0.491 20 0 BCADHN C[C@H](O)CN1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001032829473 711953037 /nfs/dbraw/zinc/95/30/37/711953037.db2.gz WGPZBQWYVBMOEE-NAKRPEOUSA-N 0 3 226.320 0.214 20 0 BCADHN CN(C(=O)C1CCC1)[C@H]1CCN(CCCO)C1 ZINC001032852287 711964214 /nfs/dbraw/zinc/96/42/14/711964214.db2.gz JIAOXJYZVAQVJV-LBPRGKRZSA-N 0 3 240.347 0.702 20 0 BCADHN CC(C)C(=O)N(C)[C@H]1CCN(C[C@@H](C)O)C1 ZINC001032918009 711967920 /nfs/dbraw/zinc/96/79/20/711967920.db2.gz JNOXDJDUEKXISZ-MNOVXSKESA-N 0 3 228.336 0.556 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2csnn2)C1 ZINC001033306711 711981715 /nfs/dbraw/zinc/98/17/15/711981715.db2.gz PPBHPPHDFXZBRA-QMMMGPOBSA-N 0 3 240.332 0.704 20 0 BCADHN CCN(C(=O)C1CC1)[C@H]1CCN(C[C@@H](C)O)C1 ZINC001033718476 712016283 /nfs/dbraw/zinc/01/62/83/712016283.db2.gz IILUAGQHUPCKCL-PWSUYJOCSA-N 0 3 240.347 0.700 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC(F)CC1 ZINC000701827119 712029877 /nfs/dbraw/zinc/02/98/77/712029877.db2.gz GEIXHOALXCIBNA-SNVBAGLBSA-N 0 3 219.256 0.344 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CC[C@H](OCC)C1 ZINC000701834907 712030988 /nfs/dbraw/zinc/03/09/88/712030988.db2.gz WFGQKTIOMZPUBT-MNOVXSKESA-N 0 3 245.319 0.411 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)CN(C)C)c1cscn1 ZINC000702352245 712046577 /nfs/dbraw/zinc/04/65/77/712046577.db2.gz QVWSXDKJAJTLOL-YUMQZZPRSA-N 0 3 242.348 0.209 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)[C@H](C)C1 ZINC000702329433 712047151 /nfs/dbraw/zinc/04/71/51/712047151.db2.gz LHBJTPOWCCERRK-MXWKQRLJSA-N 0 3 227.352 0.522 20 0 BCADHN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702331392 712047807 /nfs/dbraw/zinc/04/78/07/712047807.db2.gz ZRXGEFLWZGEMGU-AXFHLTTASA-N 0 3 227.352 0.380 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCc1ncccn1 ZINC000702331321 712047934 /nfs/dbraw/zinc/04/79/34/712047934.db2.gz UAKWWBQGDYOSNA-VIFPVBQESA-N 0 3 222.292 0.466 20 0 BCADHN Cc1cccc(NC(=O)[C@@H](N)CN(C)C)c1O ZINC000702400038 712049907 /nfs/dbraw/zinc/04/99/07/712049907.db2.gz FPCFTRNHGXGODQ-VIFPVBQESA-N 0 3 237.303 0.528 20 0 BCADHN C[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702388191 712050242 /nfs/dbraw/zinc/05/02/42/712050242.db2.gz XXTFZZZPLCQOAO-ZJUUUORDSA-N 0 3 213.325 0.134 20 0 BCADHN CSCCCCNC(=O)[C@@H](N)CN(C)C ZINC000702414941 712051364 /nfs/dbraw/zinc/05/13/64/712051364.db2.gz OPZDXNYJNFSGDN-VIFPVBQESA-N 0 3 233.381 0.135 20 0 BCADHN CSCC[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702415233 712051530 /nfs/dbraw/zinc/05/15/30/712051530.db2.gz SOBLDECLQQMPDT-BDAKNGLRSA-N 0 3 233.381 0.133 20 0 BCADHN Cc1cccc(N(C)C(=O)[C@@H](N)CN(C)C)c1 ZINC000702417243 712051693 /nfs/dbraw/zinc/05/16/93/712051693.db2.gz NCXXYPDWLXJOGE-LBPRGKRZSA-N 0 3 235.331 0.847 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)CN(C)C)c1ccccc1 ZINC000702417224 712051818 /nfs/dbraw/zinc/05/18/18/712051818.db2.gz MNMVRCMCWSVMBS-PWSUYJOCSA-N 0 3 235.331 0.753 20 0 BCADHN C[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)C1(Cl)CC1 ZINC000702412572 712051940 /nfs/dbraw/zinc/05/19/40/712051940.db2.gz DXVLLPISOFZJPC-HTQZYQBOSA-N 0 3 244.722 0.883 20 0 BCADHN COCC[C@H](N)C(=O)N1CCCC[C@H](C)C1 ZINC000703282923 712069247 /nfs/dbraw/zinc/06/92/47/712069247.db2.gz LDGPAMAYRALYIO-QWRGUYRKSA-N 0 3 228.336 0.999 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@H]2CNOC2)C1(C)C ZINC000703349019 712072394 /nfs/dbraw/zinc/07/23/94/712072394.db2.gz FWVFNEWWAAQIAE-IVZWLZJFSA-N 0 3 214.309 0.683 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NCc1nncn1C ZINC000704425239 712107245 /nfs/dbraw/zinc/10/72/45/712107245.db2.gz CETCLTFXBBDOJX-SECBINFHSA-N 0 3 239.323 0.195 20 0 BCADHN COC[C@@H](C)OC(=O)N(C)CCN(C)C ZINC000704423081 712107492 /nfs/dbraw/zinc/10/74/92/712107492.db2.gz APKPQRZXFMTYBT-SECBINFHSA-N 0 3 218.297 0.651 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NCc1ncccn1 ZINC000704444753 712108055 /nfs/dbraw/zinc/10/80/55/712108055.db2.gz SGCZQGWDQFSVBV-JTQLQIEISA-N 0 3 236.319 0.856 20 0 BCADHN CCOC(=O)[C@@H](C)NC(=O)[C@H](N)CCC(C)C ZINC000704444845 712108254 /nfs/dbraw/zinc/10/82/54/712108254.db2.gz TZMBNTNCIOBGDC-NXEZZACHSA-N 0 3 244.335 0.818 20 0 BCADHN COCC[C@@H](N)C(=O)NCC[C@H]1CCSC1 ZINC000704920274 712120122 /nfs/dbraw/zinc/12/01/22/712120122.db2.gz ZRQTYQWWXSZREE-VHSXEESVSA-N 0 3 246.376 0.610 20 0 BCADHN CCCC1(CNC(=O)[C@@H](N)CN(C)C)CC1 ZINC000705304321 712127864 /nfs/dbraw/zinc/12/78/64/712127864.db2.gz KMMMDIQWERBWEI-JTQLQIEISA-N 0 3 227.352 0.572 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC1C(C)(C)C1(C)C ZINC000705279169 712127310 /nfs/dbraw/zinc/12/73/10/712127310.db2.gz VNJUTVXIUWZIQX-QMMMGPOBSA-N 0 3 227.352 0.426 20 0 BCADHN C[C@@H](N)c1cn(Cc2cc(Cl)n(C)n2)nn1 ZINC000706132286 712140046 /nfs/dbraw/zinc/14/00/46/712140046.db2.gz PDFIIJFBGHIVFZ-ZCFIWIBFSA-N 0 3 240.698 0.733 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CCCC12CC2 ZINC000706559796 712150137 /nfs/dbraw/zinc/15/01/37/712150137.db2.gz VNULMQRXKNSOAJ-DTWKUNHWSA-N 0 3 212.293 0.409 20 0 BCADHN C[NH+](C)C[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000708443298 712194879 /nfs/dbraw/zinc/19/48/79/712194879.db2.gz BXUORESABVUERO-VIFPVBQESA-N 0 3 222.292 0.570 20 0 BCADHN CN(c1ccnc(CO)c1)[C@@H]1CCC[C@H]1O ZINC000709324310 712219817 /nfs/dbraw/zinc/21/98/17/712219817.db2.gz ZKZVZCYKPLHZQL-VXGBXAGGSA-N 0 3 222.288 0.924 20 0 BCADHN CC(=O)NCCCN[C@H](C)c1cn(C)cn1 ZINC000709903773 712231715 /nfs/dbraw/zinc/23/17/15/712231715.db2.gz IYIYGBYAUZLNAH-SECBINFHSA-N 0 3 224.308 0.597 20 0 BCADHN C[C@H](N[C@@H]1CCN(C)C1)c1cn(C)cn1 ZINC000709993015 712238305 /nfs/dbraw/zinc/23/83/05/712238305.db2.gz SOMUASVYDDJQPF-VHSXEESVSA-N 0 3 208.309 0.775 20 0 BCADHN C[C@H]1COC[C@@H]1NCc1cnc(N(C)C)n1C ZINC000710881941 712260950 /nfs/dbraw/zinc/26/09/50/712260950.db2.gz VRSSVYLHFKVMLC-ONGXEEELSA-N 0 3 238.335 0.611 20 0 BCADHN Cc1cnn(C)c1CN[C@@H]1COC[C@@H]1C ZINC000710848241 712258529 /nfs/dbraw/zinc/25/85/29/712258529.db2.gz ZCZHPLOELLKWDF-VHSXEESVSA-N 0 3 209.293 0.853 20 0 BCADHN COC[C@@H](CCNc1cc(C)nc(N)n1)OC ZINC000710668722 712265721 /nfs/dbraw/zinc/26/57/21/712265721.db2.gz FBPQYATWUXAVGM-SECBINFHSA-N 0 3 240.307 0.831 20 0 BCADHN COC1(OC)CC[C@H]1NCC1([S@](C)=O)CC1 ZINC000710962022 712268863 /nfs/dbraw/zinc/26/88/63/712268863.db2.gz SDJWYBKBPVKNCW-ABKXIKBNSA-N 0 3 247.360 0.639 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@@H]1CCOC1 ZINC000710960068 712268395 /nfs/dbraw/zinc/26/83/95/712268395.db2.gz MFZIDYGOCYHIEG-BDAKNGLRSA-N 0 3 201.266 0.516 20 0 BCADHN COC[C@H](CCO)N[C@@H]1CCC1(OC)OC ZINC000710962386 712269095 /nfs/dbraw/zinc/26/90/95/712269095.db2.gz ATHGTWFGBHVXIO-VHSXEESVSA-N 0 3 233.308 0.125 20 0 BCADHN COC1(OC)CC[C@@H]1NCC1([S@@](C)=O)CC1 ZINC000710962025 712269100 /nfs/dbraw/zinc/26/91/00/712269100.db2.gz SDJWYBKBPVKNCW-XXFAHNHDSA-N 0 3 247.360 0.639 20 0 BCADHN Nc1ccc(CN2C[C@@H]3CSC[C@@H]3C2)nn1 ZINC000711528494 712310097 /nfs/dbraw/zinc/31/00/97/712310097.db2.gz JSVFODGXQVJHPC-DTORHVGOSA-N 0 3 236.344 0.854 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)C[C@@H]1CCCCO1 ZINC000379159483 712370235 /nfs/dbraw/zinc/37/02/35/712370235.db2.gz LMGSTFLTXDNWEW-JTQLQIEISA-N 0 3 230.308 0.555 20 0 BCADHN CC[C@H]1CCCN1CCS(N)(=O)=O ZINC000379398730 712382680 /nfs/dbraw/zinc/38/26/80/712382680.db2.gz YSKOZYUKIYIIEG-QMMMGPOBSA-N 0 3 206.311 0.149 20 0 BCADHN Cc1nnsc1CNC[C@H]1CCN1C ZINC000712546775 712443917 /nfs/dbraw/zinc/44/39/17/712443917.db2.gz FCPCWZLTMWNCOJ-MRVPVSSYSA-N 0 3 212.322 0.640 20 0 BCADHN CCN1CC[C@H]1CNCc1ccc(CO)o1 ZINC000712547442 712444357 /nfs/dbraw/zinc/44/43/57/712444357.db2.gz ILYHPHHPOAWNMJ-JTQLQIEISA-N 0 3 224.304 0.956 20 0 BCADHN CN1CC[C@@H]1CNCc1cc(C(N)=O)cs1 ZINC000712570862 712447483 /nfs/dbraw/zinc/44/74/83/712447483.db2.gz GXZSYHXQWNGJRV-SECBINFHSA-N 0 3 239.344 0.641 20 0 BCADHN CC1(C)CC[C@@H](CN(CCO)CCO)OC1 ZINC000713571026 712465751 /nfs/dbraw/zinc/46/57/51/712465751.db2.gz OPEXXLGZZQOZNH-NSHDSACASA-N 0 3 231.336 0.478 20 0 BCADHN CC1(C)CCC[C@H](CN2C[C@@H](O)[C@@H](O)C2)O1 ZINC000714337704 712482789 /nfs/dbraw/zinc/48/27/89/712482789.db2.gz HTATXKNLBMXISH-MXWKQRLJSA-N 0 3 229.320 0.372 20 0 BCADHN C[C@H](N[C@H]1CCN(C)C1)c1cn(C)nn1 ZINC000715836628 712534600 /nfs/dbraw/zinc/53/46/00/712534600.db2.gz KPMWABDANQEYOU-IUCAKERBSA-N 0 3 209.297 0.170 20 0 BCADHN C[C@H](NC[C@@H]1CCCN1C)c1cn(C)nn1 ZINC000715912716 712541830 /nfs/dbraw/zinc/54/18/30/712541830.db2.gz QDULIYZOVHMVHL-UWVGGRQHSA-N 0 3 223.324 0.560 20 0 BCADHN C[C@@H](NC[C@@H]1CCCN1C)c1cn(C)nn1 ZINC000715912720 712541896 /nfs/dbraw/zinc/54/18/96/712541896.db2.gz QDULIYZOVHMVHL-ZJUUUORDSA-N 0 3 223.324 0.560 20 0 BCADHN C[C@H](NCC1CCOCC1)c1cn(C)nn1 ZINC000715913588 712541621 /nfs/dbraw/zinc/54/16/21/712541621.db2.gz SILHXUIACWYLHR-VIFPVBQESA-N 0 3 224.308 0.892 20 0 BCADHN Cc1cc(NCC[C@H](O)C(F)F)nc(N)n1 ZINC000716713173 712570736 /nfs/dbraw/zinc/57/07/36/712570736.db2.gz ODGOFZQDNBULGC-LURJTMIESA-N 0 3 232.234 0.795 20 0 BCADHN CCOC(CN[C@@](C)(CO)COC)OCC ZINC000716874787 712579807 /nfs/dbraw/zinc/57/98/07/712579807.db2.gz UZGFOYSKJOQUBF-NSHDSACASA-N 0 3 235.324 0.373 20 0 BCADHN COC[C@@](C)(CO)NC[C@@H](O)c1ccccc1 ZINC000716882539 712580060 /nfs/dbraw/zinc/58/00/60/712580060.db2.gz BGOOZHDCKPSBEY-CHWSQXEVSA-N 0 3 239.315 0.707 20 0 BCADHN COC1(CCNc2cc(C)nc(N)n2)CCC1 ZINC000379855718 712617154 /nfs/dbraw/zinc/61/71/54/712617154.db2.gz MDGAMEBVWCXXNK-UHFFFAOYSA-N 0 3 236.319 0.991 20 0 BCADHN Cc1nnc(NC(=O)[C@@H](N)CC2CC2)s1 ZINC000379909606 712624509 /nfs/dbraw/zinc/62/45/09/712624509.db2.gz LUWJOMFYOBQBCO-ZETCQYMHSA-N 0 3 226.305 0.912 20 0 BCADHN Cn1ncc(CNCCN2CCCC2)n1 ZINC000379911882 712624585 /nfs/dbraw/zinc/62/45/85/712624585.db2.gz NFAFAOUBESDYNJ-UHFFFAOYSA-N 0 3 209.297 0.001 20 0 BCADHN O=S(=O)(N[C@H]1CCCC[C@H]1F)C1CNC1 ZINC000923668088 712631831 /nfs/dbraw/zinc/63/18/31/712631831.db2.gz RWZNUZDOQICDFL-BDAKNGLRSA-N 0 3 236.312 0.158 20 0 BCADHN O=C(CNC(=O)C12CCN(CC1)C2)C1CC1 ZINC000717146029 712637202 /nfs/dbraw/zinc/63/72/02/712637202.db2.gz NHETZKZFWMZQDT-UHFFFAOYSA-N 0 3 222.288 0.178 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1cc(F)cc(F)c1 ZINC000717356178 712650443 /nfs/dbraw/zinc/65/04/43/712650443.db2.gz XWRDFLZAJQCOFB-RDDDGLTNSA-N 0 3 231.242 0.796 20 0 BCADHN CO[C@H](C)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000717408830 712656110 /nfs/dbraw/zinc/65/61/10/712656110.db2.gz LAMLIRWTJDZPRQ-MXWKQRLJSA-N 0 3 226.320 0.716 20 0 BCADHN C[C@]1([N-]S(=O)(=O)c2ccns2)CC[NH2+]C1 ZINC000717736606 712669255 /nfs/dbraw/zinc/66/92/55/712669255.db2.gz OXGGGEUZVYQERI-QMMMGPOBSA-N 0 3 247.345 0.173 20 0 BCADHN CC[C@@H]1COC[C@H]1NCC(=O)N(C)CC ZINC000829418588 712687251 /nfs/dbraw/zinc/68/72/51/712687251.db2.gz DRENBYUYGXJESO-NXEZZACHSA-N 0 3 214.309 0.479 20 0 BCADHN Cn1cc(NC(=O)[C@H](N)CC2CC2)cn1 ZINC000389694874 712689866 /nfs/dbraw/zinc/68/98/66/712689866.db2.gz IOZJYJBGDHTSEG-SECBINFHSA-N 0 3 208.265 0.486 20 0 BCADHN Cc1nc([C@H](C)N[C@H]2CCO[C@H]2C)n[nH]1 ZINC000392385897 712724779 /nfs/dbraw/zinc/72/47/79/712724779.db2.gz QAFKRFVPFMPWHB-ZKWXMUAHSA-N 0 3 210.281 0.941 20 0 BCADHN CCCn1cc(NC(=O)[C@H](C)N)ccc1=O ZINC000037766185 712755655 /nfs/dbraw/zinc/75/56/55/712755655.db2.gz HMEUCIIYNHQVPS-QMMMGPOBSA-N 0 3 223.276 0.544 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@H]2C[C@H](C)CO2)CCN1 ZINC000718384742 712758064 /nfs/dbraw/zinc/75/80/64/712758064.db2.gz NFFHSFZAPPQWRW-SDDRHHMPSA-N 0 3 240.347 0.868 20 0 BCADHN CCC[C@H](C)NC(=O)c1c(CN)cnn1C ZINC000719261952 712801799 /nfs/dbraw/zinc/80/17/99/712801799.db2.gz KKGFOCKRXLAUGS-QMMMGPOBSA-N 0 3 224.308 0.797 20 0 BCADHN CCCCN(C)C(=O)c1c(CN)cnn1C ZINC000719264598 712802014 /nfs/dbraw/zinc/80/20/14/712802014.db2.gz XJUGJBFXPDYOGS-UHFFFAOYSA-N 0 3 224.308 0.751 20 0 BCADHN C/C=C\CNC(=O)c1c(CN)cnn1C ZINC000719298210 712804065 /nfs/dbraw/zinc/80/40/65/712804065.db2.gz QARQALZVPOHKGO-ARJAWSKDSA-N 0 3 208.265 0.185 20 0 BCADHN CN(CCCO)CCc1ccns1 ZINC000719841141 712825270 /nfs/dbraw/zinc/82/52/70/712825270.db2.gz DROYOVZRPGJNMA-UHFFFAOYSA-N 0 3 200.307 1.000 20 0 BCADHN CC[C@H](C)[C@@H](CN[C@H]1CCS(=O)(=O)C1)OC ZINC000381441073 710636331 /nfs/dbraw/zinc/63/63/31/710636331.db2.gz YIJNQZDEOZJPGV-GARJFASQSA-N 0 3 249.376 0.824 20 0 BCADHN COCCOC[C@H](C)NCc1cc(C)n[nH]1 ZINC000381463012 710639900 /nfs/dbraw/zinc/63/99/00/710639900.db2.gz LRDDDWBGCFTCGZ-JTQLQIEISA-N 0 3 227.308 0.859 20 0 BCADHN C[C@H](Cc1cnccn1)NCc1c[nH]cn1 ZINC000381481342 710643207 /nfs/dbraw/zinc/64/32/07/710643207.db2.gz SSXLZKGYTZKJBT-SECBINFHSA-N 0 3 217.276 0.921 20 0 BCADHN CCCS(=O)(=O)N1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000381570371 710656155 /nfs/dbraw/zinc/65/61/55/710656155.db2.gz VPTFYZDHNIHOJJ-WDEREUQCSA-N 0 3 246.376 0.610 20 0 BCADHN Cc1cc(CNCC[C@H]2CC(=O)N(C)C2)on1 ZINC000723546999 710727665 /nfs/dbraw/zinc/72/76/65/710727665.db2.gz ZPOHKZONFVRYKP-JTQLQIEISA-N 0 3 237.303 0.941 20 0 BCADHN COC[C@@H](O)CNCc1ncc(C)cc1C ZINC000724087976 710737123 /nfs/dbraw/zinc/73/71/23/710737123.db2.gz ZHASVJWBBZGUOP-NSHDSACASA-N 0 3 224.304 0.795 20 0 BCADHN CC(C)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001042538269 710792105 /nfs/dbraw/zinc/79/21/05/710792105.db2.gz HXHTYIIWMIRJNO-LBPRGKRZSA-N 0 3 239.363 0.632 20 0 BCADHN CCCN1CC(N(C)C(=O)Cc2ccn[nH]2)C1 ZINC001042565701 710792413 /nfs/dbraw/zinc/79/24/13/710792413.db2.gz HGKBDXYCPWUJPT-UHFFFAOYSA-N 0 3 236.319 0.505 20 0 BCADHN CC(=O)N[C@]1(C)CCN(CCn2cccn2)C1 ZINC001046089056 710846186 /nfs/dbraw/zinc/84/61/86/710846186.db2.gz YFYWXYZZNRVCHM-GFCCVEGCSA-N 0 3 236.319 0.484 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cnccn2)C1 ZINC001046112543 710849320 /nfs/dbraw/zinc/84/93/20/710849320.db2.gz BEAWTULULFOTSQ-GFCCVEGCSA-N 0 3 234.303 0.691 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cnc(C)cn2)C1 ZINC001046118175 710849628 /nfs/dbraw/zinc/84/96/28/710849628.db2.gz YMTSTMJHOQGCNF-CYBMUJFWSA-N 0 3 248.330 0.999 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cnn(C)c2)C1 ZINC001046132094 710849802 /nfs/dbraw/zinc/84/98/02/710849802.db2.gz BRTWZUMYRPLNBF-GFCCVEGCSA-N 0 3 236.319 0.634 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cnc(C)[nH]2)C1 ZINC001046200501 710855177 /nfs/dbraw/zinc/85/51/77/710855177.db2.gz RILUDDXFPMJLOK-GFCCVEGCSA-N 0 3 236.319 0.932 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001046293768 710857980 /nfs/dbraw/zinc/85/79/80/710857980.db2.gz NVLVWMOZWXKBFX-LLVKDONJSA-N 0 3 237.307 0.029 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2nccc(C)n2)C1 ZINC001046281315 710858254 /nfs/dbraw/zinc/85/82/54/710858254.db2.gz SPPMEQHWLGFHHM-ZDUSSCGKSA-N 0 3 248.330 0.999 20 0 BCADHN COCCN1CC[C@@](C)(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001046555299 710862257 /nfs/dbraw/zinc/86/22/57/710862257.db2.gz WGLVOXZFAJEJHS-GMXVVIOVSA-N 0 3 240.347 0.869 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046701082 710864812 /nfs/dbraw/zinc/86/48/12/710864812.db2.gz BMGDRMVWOXJMHK-LLVKDONJSA-N 0 3 237.307 0.029 20 0 BCADHN CC(=O)N1C[C@@H](C)[C@H](NCc2cncn2C)C1 ZINC001054299641 710925398 /nfs/dbraw/zinc/92/53/98/710925398.db2.gz DLSWSBGXMZPZOO-BXKDBHETSA-N 0 3 236.319 0.377 20 0 BCADHN C[C@@H]1CN(C(=O)C2CC2)C[C@H]1NCCF ZINC001054311257 710927183 /nfs/dbraw/zinc/92/71/83/710927183.db2.gz KUVOOPNARNABPE-PSASIEDQSA-N 0 3 214.284 0.802 20 0 BCADHN CSCC(=O)N1C[C@@H](C)[C@@H](NCCF)C1 ZINC001054367174 710931719 /nfs/dbraw/zinc/93/17/19/710931719.db2.gz UBHSDFSNASLENO-BDAKNGLRSA-N 0 3 234.340 0.755 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H](N)CC2CC2)[C@@H](C)O1 ZINC000384678290 710995907 /nfs/dbraw/zinc/99/59/07/710995907.db2.gz ZWJLFWAAQLNCES-HZQMYPQZSA-N 0 3 226.320 0.796 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1c1ccnc(CO)c1 ZINC000385089829 711006285 /nfs/dbraw/zinc/00/62/85/711006285.db2.gz KPTKEMGXIHQGPU-LDYMZIIASA-N 0 3 208.261 0.533 20 0 BCADHN COCC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000380623711 712902087 /nfs/dbraw/zinc/90/20/87/712902087.db2.gz BJJKTVZPNKEGST-UTLUCORTSA-N 0 3 214.309 0.607 20 0 BCADHN C[C@H](C[C@H]1CCC(=O)N1)NCc1cc[nH]n1 ZINC000380675885 712902312 /nfs/dbraw/zinc/90/23/12/712902312.db2.gz DHILZBBCAIMZKJ-RKDXNWHRSA-N 0 3 222.292 0.557 20 0 BCADHN Cc1cc(N[C@H](CO)C2CCCC2)nc(N)n1 ZINC000386146668 711023792 /nfs/dbraw/zinc/02/37/92/711023792.db2.gz HYQNESDOQGIFSA-SNVBAGLBSA-N 0 3 236.319 0.582 20 0 BCADHN Cc1cc(C)n(CCn2cc([C@H](C)N)nn2)n1 ZINC000386674729 711035078 /nfs/dbraw/zinc/03/50/78/711035078.db2.gz HAKMHJMFBGNRJB-JTQLQIEISA-N 0 3 234.307 0.811 20 0 BCADHN Cc1cc(N[C@@H]2CC23CCOCC3)nc(N)n1 ZINC000386903420 711038114 /nfs/dbraw/zinc/03/81/14/711038114.db2.gz MEZRKEKGFIQLNP-SECBINFHSA-N 0 3 234.303 0.600 20 0 BCADHN C[C@@H]1CN(Cc2ccc(N)nc2)C[C@H]1O ZINC000388081184 711051716 /nfs/dbraw/zinc/05/17/16/711051716.db2.gz MGFBIVAQBMPJMH-PSASIEDQSA-N 0 3 207.277 0.307 20 0 BCADHN CO[C@@H](CN[C@H](C)CC(N)=O)C(F)(F)F ZINC000389873809 711095342 /nfs/dbraw/zinc/09/53/42/711095342.db2.gz KNLDVVMNRWJMBR-RITPCOANSA-N 0 3 228.214 0.417 20 0 BCADHN Cc1nccn1CCNCc1cn(C)cn1 ZINC000390134887 711106088 /nfs/dbraw/zinc/10/60/88/711106088.db2.gz LMBRZNFWZJXQSG-UHFFFAOYSA-N 0 3 219.292 0.715 20 0 BCADHN c1nc(CNCCOC[C@H]2CCOC2)c[nH]1 ZINC000390243785 711110282 /nfs/dbraw/zinc/11/02/82/711110282.db2.gz IMHIBFSKADKBLW-JTQLQIEISA-N 0 3 225.292 0.552 20 0 BCADHN c1ncc(CNCCOC[C@H]2CCOC2)[nH]1 ZINC000390243785 711110286 /nfs/dbraw/zinc/11/02/86/711110286.db2.gz IMHIBFSKADKBLW-JTQLQIEISA-N 0 3 225.292 0.552 20 0 BCADHN Cc1cc(NC[C@@H](C)C[C@H](C)O)nc(N)n1 ZINC000390358222 711114404 /nfs/dbraw/zinc/11/44/04/711114404.db2.gz QXLCGYSZDFDDJS-CBAPKCEASA-N 0 3 224.308 0.438 20 0 BCADHN Cc1nc(F)ccc1CN[C@H](C)CC(N)=O ZINC000390515405 711123203 /nfs/dbraw/zinc/12/32/03/711123203.db2.gz CSVVFHALCWHCCO-SSDOTTSWSA-N 0 3 225.267 0.883 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1CCOC1(C)C ZINC000392803997 711151225 /nfs/dbraw/zinc/15/12/25/711151225.db2.gz AKLYERFWJAEOQK-VIFPVBQESA-N 0 3 235.349 0.578 20 0 BCADHN Cn1nccc1CCN[C@@H]1CCn2ccnc21 ZINC000393322015 711157670 /nfs/dbraw/zinc/15/76/70/711157670.db2.gz HPCCRKXJLPBNSB-LLVKDONJSA-N 0 3 231.303 0.894 20 0 BCADHN Cn1cc(NC(=O)[C@H](N)CC2CC2)ccc1=O ZINC000393867184 711178417 /nfs/dbraw/zinc/17/84/17/711178417.db2.gz QMNSWMXXTOIWTO-SNVBAGLBSA-N 0 3 235.287 0.451 20 0 BCADHN CC(C)(C)[C@H](CO)NCCS(C)(=O)=O ZINC000393981790 711180700 /nfs/dbraw/zinc/18/07/00/711180700.db2.gz CBRSKOYRJXGAML-QMMMGPOBSA-N 0 3 223.338 0.028 20 0 BCADHN C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C)CN1CCO ZINC001072015527 711214898 /nfs/dbraw/zinc/21/48/98/711214898.db2.gz DYLVJVSUGWIHOJ-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN CO[C@@H]1C[C@@H](NCC(=O)N(C)OC)C12CCC2 ZINC000397551030 711386951 /nfs/dbraw/zinc/38/69/51/711386951.db2.gz YPZLPJFUEDWHNC-NXEZZACHSA-N 0 3 242.319 0.553 20 0 BCADHN CO[C@@H]1C[C@@H](NCc2cn[nH]n2)C12CCC2 ZINC000398399515 711410010 /nfs/dbraw/zinc/41/00/10/711410010.db2.gz MGMDLRPTWAJRLN-NXEZZACHSA-N 0 3 222.292 0.852 20 0 BCADHN CN(C[C@H]1CCOC1)C(=O)[C@H](N)CC1CC1 ZINC000398868934 711415487 /nfs/dbraw/zinc/41/54/87/711415487.db2.gz OOFMIGWFBPHELU-GHMZBOCLSA-N 0 3 226.320 0.609 20 0 BCADHN CN(CC[S@](C)=O)C[C@H]1CCC[C@H]1O ZINC000398815401 711416347 /nfs/dbraw/zinc/41/63/47/711416347.db2.gz ALOBMJSKYZMNRV-RULNRJAQSA-N 0 3 219.350 0.458 20 0 BCADHN CC(C)OC(=O)CNC(=O)[C@H](N)C1CCC1 ZINC000399146219 711421636 /nfs/dbraw/zinc/42/16/36/711421636.db2.gz WZTQBLPKAWCWBQ-SNVBAGLBSA-N 0 3 228.292 0.182 20 0 BCADHN CN(CC[S@](C)=O)C[C@H]1CCCC[C@@H]1O ZINC000399115619 711421988 /nfs/dbraw/zinc/42/19/88/711421988.db2.gz XNJVGBZEFPBAGH-ZETOZRRWSA-N 0 3 233.377 0.848 20 0 BCADHN CN(CC[S@](C)=O)[C@@H]1CCC[C@H]1O ZINC000399102188 711422418 /nfs/dbraw/zinc/42/24/18/711422418.db2.gz SRNHFITZMYVWNP-KKFJDGPESA-N 0 3 205.323 0.210 20 0 BCADHN N[C@H](C(=O)NC[C@@H](O)c1ccccc1)C1CCC1 ZINC000399226610 711424782 /nfs/dbraw/zinc/42/47/82/711424782.db2.gz NHLAWAKDOXEOKN-OLZOCXBDSA-N 0 3 248.326 0.964 20 0 BCADHN COC[C@H](C)N1CCCO[C@@H](CNC(C)=O)C1 ZINC001073506666 711439629 /nfs/dbraw/zinc/43/96/29/711439629.db2.gz XBPVJKYCXFLTNQ-JQWIXIFHSA-N 0 3 244.335 0.248 20 0 BCADHN CO[C@H](C)CN1CCCO[C@H](CNC(C)=O)C1 ZINC001073503979 711440688 /nfs/dbraw/zinc/44/06/88/711440688.db2.gz SZQKVSFAFZHWCF-ZYHUDNBSSA-N 0 3 244.335 0.248 20 0 BCADHN CCCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)[C@@H]1C ZINC001074496553 711442713 /nfs/dbraw/zinc/44/27/13/711442713.db2.gz PSTSWEFCNPAFMK-GUBZILKMSA-N 0 3 241.335 0.239 20 0 BCADHN CNc1nc(C(=O)N(C)CCN(C)C)cs1 ZINC000381347197 710625505 /nfs/dbraw/zinc/62/55/05/710625505.db2.gz ZKPJWECCUACCMM-UHFFFAOYSA-N 0 3 242.348 0.240 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCOC1CCC1 ZINC000381415961 710634346 /nfs/dbraw/zinc/63/43/46/710634346.db2.gz WCRRZCMCVLBLIG-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN Cc1c[nH]nc1CN[C@@](C)(CO)C1CC1 ZINC000393609462 710635410 /nfs/dbraw/zinc/63/54/10/710635410.db2.gz LZASSMUFFXBIMC-NSHDSACASA-N 0 3 209.293 0.969 20 0 BCADHN C[C@@H](O)c1ncc(CN[C@@H]2CCN(C)C2)s1 ZINC000381744218 710696072 /nfs/dbraw/zinc/69/60/72/710696072.db2.gz PRNBSXAKQFVVOH-RKDXNWHRSA-N 0 3 241.360 0.990 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cnsn2)C1 ZINC001046167157 710851712 /nfs/dbraw/zinc/85/17/12/710851712.db2.gz VKXPLPXFJQFISX-JTQLQIEISA-N 0 3 240.332 0.752 20 0 BCADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)C=C2CCC2)C1 ZINC001047346591 710871315 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0.558 20 0 BCADHN COC(=O)N[C@H]1CCN(CCC[C@@H](C)O)C1 ZINC000393761956 711677442 /nfs/dbraw/zinc/67/74/42/711677442.db2.gz MHPRCGRIVFPTGC-ZJUUUORDSA-N 0 3 230.308 0.578 20 0 BCADHN COCC[C@@H](N)C(=O)NC1CC(C)(C)C1 ZINC000395285382 711693436 /nfs/dbraw/zinc/69/34/36/711693436.db2.gz GINDFXBVCOOVBC-SECBINFHSA-N 0 3 214.309 0.655 20 0 BCADHN O=C(NC[C@H]1CCCN1CCO)c1ccncc1 ZINC001027721754 711733336 /nfs/dbraw/zinc/73/33/36/711733336.db2.gz PJGOMWURGAZMEF-GFCCVEGCSA-N 0 3 249.314 0.268 20 0 BCADHN CCN1CCC[C@@H](NCC2=CCCOC2)C1=O ZINC000722345475 711742485 /nfs/dbraw/zinc/74/24/85/711742485.db2.gz GQQNQYMXQLLYSU-GFCCVEGCSA-N 0 3 238.331 0.934 20 0 BCADHN COC(=O)CC(C)(C)NC[C@H](O)C(F)(F)F ZINC000183972146 711747855 /nfs/dbraw/zinc/74/78/55/711747855.db2.gz OMSCAAYUQDBPTE-LURJTMIESA-N 0 3 243.225 0.841 20 0 BCADHN CC(C)=CCN1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001038841766 711750474 /nfs/dbraw/zinc/75/04/74/711750474.db2.gz ORSVLENPQZMNRX-SNVBAGLBSA-N 0 3 249.318 0.575 20 0 BCADHN CC(C)=CCN1CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001038841766 711750476 /nfs/dbraw/zinc/75/04/76/711750476.db2.gz ORSVLENPQZMNRX-SNVBAGLBSA-N 0 3 249.318 0.575 20 0 BCADHN C[C@H](O)CN1CCC[C@@H]1C1OCCO1 ZINC000725615501 711750532 /nfs/dbraw/zinc/75/05/32/711750532.db2.gz YIBRIMFPSZTQKN-DTWKUNHWSA-N 0 3 201.266 0.205 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC(C)(F)CC1 ZINC000877203901 711763268 /nfs/dbraw/zinc/76/32/68/711763268.db2.gz YIEWJDJRMRITMB-VIFPVBQESA-N 0 3 231.315 0.226 20 0 BCADHN COC[C@H](O)CCNCc1ocnc1C ZINC000894369637 711769870 /nfs/dbraw/zinc/76/98/70/711769870.db2.gz WELGENRVDRYCOY-SECBINFHSA-N 0 3 214.265 0.470 20 0 BCADHN COC[C@@H](O)CCNCc1ocnc1C ZINC000894369638 711770236 /nfs/dbraw/zinc/77/02/36/711770236.db2.gz WELGENRVDRYCOY-VIFPVBQESA-N 0 3 214.265 0.470 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2cnc3n2CCC3)CCN1C ZINC000928429568 711771949 /nfs/dbraw/zinc/77/19/49/711771949.db2.gz RDELGIHMIJHTFT-VHSXEESVSA-N 0 3 248.330 0.652 20 0 BCADHN Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2C)nn1 ZINC000928432554 711772069 /nfs/dbraw/zinc/77/20/69/711772069.db2.gz QQWDPDPUABKAJD-UWVGGRQHSA-N 0 3 234.303 0.607 20 0 BCADHN C=C=CCNC(=O)Nc1ccnn1CCN(C)C ZINC000888255388 711786106 /nfs/dbraw/zinc/78/61/06/711786106.db2.gz RIYXGFXLOXPGGC-UHFFFAOYSA-N 0 3 249.318 0.907 20 0 BCADHN CCn1nccc1CNC[C@@H](O)CC(C)(C)O ZINC000872215450 711789320 /nfs/dbraw/zinc/78/93/20/711789320.db2.gz AUPAHNAGQMYGNM-NSHDSACASA-N 0 3 241.335 0.515 20 0 BCADHN Cc1nc(CN2CC[C@@H](C(C)(C)O)C2)n[nH]1 ZINC000721868723 711792782 /nfs/dbraw/zinc/79/27/82/711792782.db2.gz ITQCCNRUSWKMQE-SECBINFHSA-N 0 3 224.308 0.706 20 0 BCADHN CCCCN1C[C@@H](O)[C@H](NC(=O)CC)C1 ZINC001076653796 711807179 /nfs/dbraw/zinc/80/71/79/711807179.db2.gz BZZCTVGJTCQFFI-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)C2CCCC2)C1 ZINC001076665807 711807663 /nfs/dbraw/zinc/80/76/63/711807663.db2.gz FQYWSZLGQIAFSV-VXGBXAGGSA-N 0 3 240.347 0.746 20 0 BCADHN C/C(Cl)=C/C(=O)NCCN1CC[C@H](O)C1 ZINC000913352847 711821653 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/nfs/dbraw/zinc/98/83/10/711988310.db2.gz IERHLCKMFRKAPB-SECBINFHSA-N 0 3 212.293 0.409 20 0 BCADHN Cc1cc(NC[C@H]2COCCN2C)nc(N)n1 ZINC000700257455 711989161 /nfs/dbraw/zinc/98/91/61/711989161.db2.gz AUWYICKZFFVREP-VIFPVBQESA-N 0 3 237.307 0.110 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001033437994 711990815 /nfs/dbraw/zinc/99/08/15/711990815.db2.gz MFVLEGZJXMRXON-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1CCN(CC[S@@](C)=O)C[C@H]1CO ZINC000700394141 711991562 /nfs/dbraw/zinc/99/15/62/711991562.db2.gz RWMVONINFJVTFE-ISTVAULSSA-N 0 3 219.350 0.315 20 0 BCADHN COC(=O)N(C)CCN(C)CC[C@@H](C)O ZINC000700703537 712003887 /nfs/dbraw/zinc/00/38/87/712003887.db2.gz SPDOYKSQWPAPMG-SECBINFHSA-N 0 3 218.297 0.387 20 0 BCADHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)C(C)(C)C)C1 ZINC001033603240 712007967 /nfs/dbraw/zinc/00/79/67/712007967.db2.gz JOKFZPGDFJQQKA-MNOVXSKESA-N 0 3 242.363 0.946 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC001033657311 712010482 /nfs/dbraw/zinc/01/04/82/712010482.db2.gz SNWRFWRPFLUEQK-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC(F)CC1 ZINC000701827118 712030390 /nfs/dbraw/zinc/03/03/90/712030390.db2.gz GEIXHOALXCIBNA-JTQLQIEISA-N 0 3 219.256 0.344 20 0 BCADHN CCN(C(=O)c1cnon1)[C@@H]1CCN(CC)C1 ZINC001033995839 712032756 /nfs/dbraw/zinc/03/27/56/712032756.db2.gz KXXJQFFRNFZPAG-SECBINFHSA-N 0 3 238.291 0.626 20 0 BCADHN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000702341451 712045827 /nfs/dbraw/zinc/04/58/27/712045827.db2.gz LUHKUUVPBLKQEQ-UTUOFQBUSA-N 0 3 241.379 0.960 20 0 BCADHN C[C@H]1C[C@H](NC(=O)[C@@H](N)CN(C)C)C[C@@H](C)C1 ZINC000702343447 712045976 /nfs/dbraw/zinc/04/59/76/712045976.db2.gz YJPAPUBUYKNORH-QCNOEVLYSA-N 0 3 241.379 0.816 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCc1ncccn1 ZINC000702330283 712046888 /nfs/dbraw/zinc/04/68/88/712046888.db2.gz KRWIJUVGKJQTFW-SECBINFHSA-N 0 3 220.276 0.220 20 0 BCADHN C[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000702329133 712046931 /nfs/dbraw/zinc/04/69/31/712046931.db2.gz IKPZYVAAFSVOHW-QWRGUYRKSA-N 0 3 227.352 0.524 20 0 BCADHN CN1C[C@@H]2CN(c3ncc(C=O)cn3)C[C@]2(C)C1 ZINC000702326642 712047066 /nfs/dbraw/zinc/04/70/66/712047066.db2.gz DRCAUTAMXAMIKR-YPMHNXCESA-N 0 3 246.314 0.677 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC1CCCCCC1 ZINC000702328574 712047079 /nfs/dbraw/zinc/04/70/79/712047079.db2.gz BIOAVNNCMCRZLS-NSHDSACASA-N 0 3 227.352 0.714 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)CC1CCCC1 ZINC000702328667 712047226 /nfs/dbraw/zinc/04/72/26/712047226.db2.gz CVTRDTOLGRNFRT-NSHDSACASA-N 0 3 227.352 0.524 20 0 BCADHN C[C@H](C1CC1)N(C)C(=O)[C@@H](N)CN(C)C ZINC000702384570 712049233 /nfs/dbraw/zinc/04/92/33/712049233.db2.gz JYMOYMCQSPJBMM-SCZZXKLOSA-N 0 3 213.325 0.132 20 0 BCADHN C[C@@H](CNC(=O)[C@@H](N)CN(C)C)C(C)(C)C ZINC000702370718 712049329 /nfs/dbraw/zinc/04/93/29/712049329.db2.gz INACSBXYCSXEEO-UWVGGRQHSA-N 0 3 229.368 0.674 20 0 BCADHN CC[C@H](C)N(CC)C(=O)[C@@H](N)CN(C)C ZINC000702400015 712049934 /nfs/dbraw/zinc/04/99/34/712049934.db2.gz FKHLFZIBGOVWFW-UWVGGRQHSA-N 0 3 215.341 0.522 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H](N)CN(C)C)CCS1 ZINC000702393254 712050006 /nfs/dbraw/zinc/05/00/06/712050006.db2.gz DRPPBRGNOKRSGN-UWVGGRQHSA-N 0 3 245.392 0.229 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCCCCC1 ZINC000702386590 712050009 /nfs/dbraw/zinc/05/00/09/712050009.db2.gz QFGOXBLCINUZEW-JTQLQIEISA-N 0 3 213.325 0.278 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC1CCSCC1 ZINC000702393912 712050322 /nfs/dbraw/zinc/05/03/22/712050322.db2.gz KYLPUJKIRHJJRJ-JTQLQIEISA-N 0 3 245.392 0.135 20 0 BCADHN Cc1cccc(NC(=O)[C@@H](N)CN(C)C)n1 ZINC000702406648 712050990 /nfs/dbraw/zinc/05/09/90/712050990.db2.gz BEMVGQWREMDIDU-VIFPVBQESA-N 0 3 222.292 0.217 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccc(F)c(F)c1 ZINC000702415672 712051337 /nfs/dbraw/zinc/05/13/37/712051337.db2.gz CQBICEDHHAGRCH-JTQLQIEISA-N 0 3 243.257 0.792 20 0 BCADHN Cc1ccc(CNC(=O)[C@@H](N)CN(C)C)o1 ZINC000702411729 712051389 /nfs/dbraw/zinc/05/13/89/712051389.db2.gz ZALSRYOMYASAJS-JTQLQIEISA-N 0 3 225.292 0.093 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCc1ccccc1 ZINC000702415983 712051399 /nfs/dbraw/zinc/05/13/99/712051399.db2.gz FCBODCGMKHWVPL-LBPRGKRZSA-N 0 3 235.331 0.234 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCc1cccs1 ZINC000702416391 712051757 /nfs/dbraw/zinc/05/17/57/712051757.db2.gz XRPAUCRTUGKBNY-JTQLQIEISA-N 0 3 241.360 0.296 20 0 BCADHN Cc1cncc(NC(=O)[C@@H](N)CN(C)C)c1 ZINC000702412097 712051919 /nfs/dbraw/zinc/05/19/19/712051919.db2.gz ZRXAJEPLCNRKOM-JTQLQIEISA-N 0 3 222.292 0.217 20 0 BCADHN Cc1cccc(CNC(=O)[C@@H](N)CN(C)C)c1 ZINC000702417946 712052366 /nfs/dbraw/zinc/05/23/66/712052366.db2.gz TYNGURCZVFGJAQ-LBPRGKRZSA-N 0 3 235.331 0.500 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccc2c[nH]nc2c1 ZINC000702428160 712052575 /nfs/dbraw/zinc/05/25/75/712052575.db2.gz IAZSIBQGKBKVNK-JTQLQIEISA-N 0 3 247.302 0.390 20 0 BCADHN CO[C@@](C)(CO)CNCc1cnc(C)s1 ZINC000702528463 712054494 /nfs/dbraw/zinc/05/44/94/712054494.db2.gz NYYDBCPSXYPLJM-SNVBAGLBSA-N 0 3 230.333 0.939 20 0 BCADHN CCN1CCCC[C@H](NC(=O)c2cnon2)C1 ZINC001034457887 712065675 /nfs/dbraw/zinc/06/56/75/712065675.db2.gz JPPWXUTYIXHLCE-VIFPVBQESA-N 0 3 238.291 0.674 20 0 BCADHN CCN1CCCC[C@@H](NC(=O)c2cnon2)C1 ZINC001034457886 712066016 /nfs/dbraw/zinc/06/60/16/712066016.db2.gz JPPWXUTYIXHLCE-SECBINFHSA-N 0 3 238.291 0.674 20 0 BCADHN CO[C@@H](CNCCS(C)(=O)=O)C1CCCC1 ZINC000703189036 712067744 /nfs/dbraw/zinc/06/77/44/712067744.db2.gz DFKSPFANZMBTRB-NSHDSACASA-N 0 3 249.376 0.826 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@H]2CNOC2)C1(C)C ZINC000703349024 712072689 /nfs/dbraw/zinc/07/26/89/712072689.db2.gz FWVFNEWWAAQIAE-LPEHRKFASA-N 0 3 214.309 0.683 20 0 BCADHN Cc1cc(N2C[C@H](C)[C@](C)(CO)C2)nc(N)n1 ZINC000703663645 712083122 /nfs/dbraw/zinc/08/31/22/712083122.db2.gz UFOZHRQCZBBSCM-UFBFGSQYSA-N 0 3 236.319 0.822 20 0 BCADHN CN1CCN(Cc2ccc(N)nn2)CC1(C)C ZINC000703952610 712092533 /nfs/dbraw/zinc/09/25/33/712092533.db2.gz HROWGXDZOYGAJA-UHFFFAOYSA-N 0 3 235.335 0.585 20 0 BCADHN CCCN1CCN(Cc2ccc(N)nn2)CC1 ZINC000703949189 712092707 /nfs/dbraw/zinc/09/27/07/712092707.db2.gz WGOCZKUWGDILHG-UHFFFAOYSA-N 0 3 235.335 0.586 20 0 BCADHN CC(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001034833317 712095183 /nfs/dbraw/zinc/09/51/83/712095183.db2.gz JYRMPTMYPFYMGL-GFCCVEGCSA-N 0 3 236.319 0.521 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(Cc2ccc(N)nn2)C1 ZINC000703967077 712096930 /nfs/dbraw/zinc/09/69/30/712096930.db2.gz FQBXPGKRTHZLHD-LBPRGKRZSA-N 0 3 249.318 0.017 20 0 BCADHN COC[C@@H](C)OC(=O)N[C@@H]1CCN(C)C1 ZINC000704504528 712111495 /nfs/dbraw/zinc/11/14/95/712111495.db2.gz KBHSDFAZHVHOHR-RKDXNWHRSA-N 0 3 216.281 0.452 20 0 BCADHN CC[C@@H]1CCCCN1C(=O)[C@@H](N)CN(C)C ZINC000705275599 712127003 /nfs/dbraw/zinc/12/70/03/712127003.db2.gz GIYYKKNIXCDGSI-MNOVXSKESA-N 0 3 227.352 0.666 20 0 BCADHN CCCCC[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000705317682 712128615 /nfs/dbraw/zinc/12/86/15/712128615.db2.gz QTQRXZCTNNKZKJ-QWRGUYRKSA-N 0 3 229.368 0.960 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC(F)(F)CC1 ZINC000705394349 712130116 /nfs/dbraw/zinc/13/01/16/712130116.db2.gz PGHWMDYMMVXKKT-QMMMGPOBSA-N 0 3 235.278 0.133 20 0 BCADHN Cc1c(CN2C[C@@H](C)[C@@H](O)C2)cnn1C ZINC000705808078 712135813 /nfs/dbraw/zinc/13/58/13/712135813.db2.gz DDYGREOYQMDDOT-KCJUWKMLSA-N 0 3 209.293 0.541 20 0 BCADHN CN(C)C1CC(NC(=O)C2CCC(=O)CC2)C1 ZINC000706117402 712140066 /nfs/dbraw/zinc/14/00/66/712140066.db2.gz XEMSQKWBWWTFOR-UHFFFAOYSA-N 0 3 238.331 0.955 20 0 BCADHN Cc1nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc(=O)[n-]1 ZINC000706310613 712143240 /nfs/dbraw/zinc/14/32/40/712143240.db2.gz MXEYVKKURAKDHB-AOOOYVTPSA-N 0 3 234.303 0.488 20 0 BCADHN Cc1nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc(=O)[n-]1 ZINC000706310613 712143241 /nfs/dbraw/zinc/14/32/41/712143241.db2.gz MXEYVKKURAKDHB-AOOOYVTPSA-N 0 3 234.303 0.488 20 0 BCADHN O=S(=O)(NC[C@H]1CCCC12CC2)C1CNC1 ZINC000706314124 712143384 /nfs/dbraw/zinc/14/33/84/712143384.db2.gz UQUGVEHXQFOHIU-SECBINFHSA-N 0 3 244.360 0.458 20 0 BCADHN CN(Cc1ccon1)C(=O)[C@H](N)CC1CC1 ZINC000706696405 712152544 /nfs/dbraw/zinc/15/25/44/712152544.db2.gz KUNVJDHUPCTQBV-SNVBAGLBSA-N 0 3 223.276 0.760 20 0 BCADHN CCN(C(=O)[C@H](N)CCOC)C1CCC1 ZINC000706879384 712157908 /nfs/dbraw/zinc/15/79/08/712157908.db2.gz SLYDMVGRNGIBLB-SNVBAGLBSA-N 0 3 214.309 0.751 20 0 BCADHN Cc1cc(N2CC[C@@]3(CCOC3)C2)nc(N)n1 ZINC000707231772 712167081 /nfs/dbraw/zinc/16/70/81/712167081.db2.gz IZCSNMDZVOIVJN-GFCCVEGCSA-N 0 3 234.303 0.984 20 0 BCADHN CC(=O)C1CCN(C(=O)[C@@H]2CCN(C)C2)CC1 ZINC000707728522 712176592 /nfs/dbraw/zinc/17/65/92/712176592.db2.gz JYOHCDOASFJBRG-GFCCVEGCSA-N 0 3 238.331 0.766 20 0 BCADHN CN1C[C@@H]2CN(c3ncc(C=O)cn3)C[C@@H]2C1 ZINC000707851891 712180324 /nfs/dbraw/zinc/18/03/24/712180324.db2.gz ZFNFZHSYXTWMTB-PHIMTYICSA-N 0 3 232.287 0.287 20 0 BCADHN CCC[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000708481142 712192834 /nfs/dbraw/zinc/19/28/34/712192834.db2.gz VKGBLTLHBMEVJU-SNVBAGLBSA-N 0 3 246.376 0.800 20 0 BCADHN CO[C@H]1C[C@@H](CNCc2cn(C)cn2)C1 ZINC000708729436 712198071 /nfs/dbraw/zinc/19/80/71/712198071.db2.gz MHJIDWLUGAZUHF-JGZJWPJOSA-N 0 3 209.293 0.935 20 0 BCADHN COCC[C@H](N)C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000708989802 712205243 /nfs/dbraw/zinc/20/52/43/712205243.db2.gz IBGDAFUOXZZGSR-WDEREUQCSA-N 0 3 244.335 0.234 20 0 BCADHN CCN1C[C@H](CN2CC[C@](C)(O)C2)OC1=O ZINC000709771704 712220887 /nfs/dbraw/zinc/22/08/87/712220887.db2.gz CVYTZXBAVDINKB-ONGXEEELSA-N 0 3 228.292 0.284 20 0 BCADHN CC(=O)N1CC[C@H]2[C@@H](CCN2CCF)C1 ZINC001036610749 712224702 /nfs/dbraw/zinc/22/47/02/712224702.db2.gz SXIVARJDRWJIRL-QWRGUYRKSA-N 0 3 214.284 0.899 20 0 BCADHN COC(OC)C(=O)N(C)CCN1CCCC1 ZINC000709617208 712225598 /nfs/dbraw/zinc/22/55/98/712225598.db2.gz ZAGQDGFXQUFOTB-UHFFFAOYSA-N 0 3 230.308 0.160 20 0 BCADHN C[C@H](N[C@@H]1CCC[C@H]1O)c1cn(C)cn1 ZINC000709921419 712232868 /nfs/dbraw/zinc/23/28/68/712232868.db2.gz SHICGNSYTOKQAP-IQJOONFLSA-N 0 3 209.293 0.984 20 0 BCADHN C[C@@H](NCCCC(=O)N(C)C)c1cn(C)cn1 ZINC000709940930 712234119 /nfs/dbraw/zinc/23/41/19/712234119.db2.gz WAVDGUFSXURVHS-SNVBAGLBSA-N 0 3 238.335 0.939 20 0 BCADHN C[C@H](NCCCOCCO)c1cn(C)cn1 ZINC000709987694 712237140 /nfs/dbraw/zinc/23/71/40/712237140.db2.gz LCBDVSCEASVHIM-JTQLQIEISA-N 0 3 227.308 0.470 20 0 BCADHN C[C@H](NCC1(O)CCC1)c1cn(C)cn1 ZINC000709992674 712238028 /nfs/dbraw/zinc/23/80/28/712238028.db2.gz OSWWNPJOJCNPCC-VIFPVBQESA-N 0 3 209.293 0.986 20 0 BCADHN CCC(C)(C)[C@@H](C)NS(=O)(=O)C1CNC1 ZINC000710025008 712241247 /nfs/dbraw/zinc/24/12/47/712241247.db2.gz NLXUNOZPGSCCNI-MRVPVSSYSA-N 0 3 234.365 0.702 20 0 BCADHN Cc1c(F)ncnc1N1CC(N(C)C)C1 ZINC000710242688 712248810 /nfs/dbraw/zinc/24/88/10/712248810.db2.gz KAZWUAKAJWWMDQ-UHFFFAOYSA-N 0 3 210.256 0.674 20 0 BCADHN Cc1nn(C)cc1CN[C@H]1COC[C@H]1C ZINC000710880540 712260890 /nfs/dbraw/zinc/26/08/90/712260890.db2.gz DSLINWZDAJYFBQ-KCJUWKMLSA-N 0 3 209.293 0.853 20 0 BCADHN COC1(OC)CC[C@@H]1NCCN1CCCC1=O ZINC000710964218 712268947 /nfs/dbraw/zinc/26/89/47/712268947.db2.gz FVDATAOVDNTAFF-JTQLQIEISA-N 0 3 242.319 0.350 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@H](C)C[S@@](C)=O ZINC000710966314 712269870 /nfs/dbraw/zinc/26/98/70/712269870.db2.gz ZVQMQUXLOOMSIY-CEFVDNRUSA-N 0 3 235.349 0.495 20 0 BCADHN CCCNC(=O)CCN[C@@H]1CCC1(OC)OC ZINC000710986702 712272370 /nfs/dbraw/zinc/27/23/70/712272370.db2.gz GBURRNOOGWQEHM-SNVBAGLBSA-N 0 3 244.335 0.644 20 0 BCADHN COC1(OC)CC[C@H]1NCCNC(=O)C(C)C ZINC000710991065 712273207 /nfs/dbraw/zinc/27/32/07/712273207.db2.gz XQYXRFUVISPRKW-SNVBAGLBSA-N 0 3 244.335 0.500 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)C1CCC1 ZINC001079338650 712347998 /nfs/dbraw/zinc/34/79/98/712347998.db2.gz HSMGWBKPBYEUIP-MWLCHTKSSA-N 0 3 226.320 0.215 20 0 BCADHN C[C@@H]1CN(CCCO)C[C@H]1NC(=O)C1(C)CC1 ZINC001079742355 712350966 /nfs/dbraw/zinc/35/09/66/712350966.db2.gz SDIMZSYSGIQEGC-GHMZBOCLSA-N 0 3 240.347 0.605 20 0 BCADHN COCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001080273913 712353049 /nfs/dbraw/zinc/35/30/49/712353049.db2.gz CDKLBBHJXYQNCP-WHOHXGKFSA-N 0 3 240.347 0.725 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)C(C)(C)C ZINC001080824801 712353777 /nfs/dbraw/zinc/35/37/77/712353777.db2.gz CWTVDTXPSKRJGK-NXEZZACHSA-N 0 3 228.336 0.461 20 0 BCADHN O[C@H](CN1CCN(C2CCC2)CC1)C1CC1 ZINC000378668054 712357087 /nfs/dbraw/zinc/35/70/87/712357087.db2.gz KNVIPCMUYUMPBP-CYBMUJFWSA-N 0 3 224.348 0.927 20 0 BCADHN OCc1cc(N2CCC[C@H](O)CC2)ccn1 ZINC000378794103 712362150 /nfs/dbraw/zinc/36/21/50/712362150.db2.gz PJUIEOXAVXQKIE-LBPRGKRZSA-N 0 3 222.288 0.925 20 0 BCADHN CC[C@]1(NCCS(=O)(=O)CC)CCOC1 ZINC000378846662 712365735 /nfs/dbraw/zinc/36/57/35/712365735.db2.gz STPCATYPEQBCBR-JTQLQIEISA-N 0 3 235.349 0.580 20 0 BCADHN CCOCC(C)(C)NCCS(=O)(=O)CC ZINC000379123712 712370201 /nfs/dbraw/zinc/37/02/01/712370201.db2.gz PQQWMWJETNFFDS-UHFFFAOYSA-N 0 3 237.365 0.826 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)C[C@@H]1CCCO1 ZINC000379192172 712371178 /nfs/dbraw/zinc/37/11/78/712371178.db2.gz WAECDBXRKWWFBR-VIFPVBQESA-N 0 3 216.281 0.165 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H](O)c1ccccc1 ZINC000379449857 712385149 /nfs/dbraw/zinc/38/51/49/712385149.db2.gz BAHVSZWYIDAMFS-LOWVWBTDSA-N 0 3 248.326 0.929 20 0 BCADHN COCC[C@@H](N)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000379548147 712387814 /nfs/dbraw/zinc/38/78/14/712387814.db2.gz IIHVPJHQOCKWGT-KXUCPTDWSA-N 0 3 226.320 0.465 20 0 BCADHN CN(C(C1CC1)C1CC1)S(=O)(=O)C1CNC1 ZINC000923602390 712388959 /nfs/dbraw/zinc/38/89/59/712388959.db2.gz OFPCMZZDKORPQV-UHFFFAOYSA-N 0 3 244.360 0.408 20 0 BCADHN CC/C=C(\C)C(=O)NC[C@H]1CNCCO1 ZINC000379699988 712392672 /nfs/dbraw/zinc/39/26/72/712392672.db2.gz GVBGDMHCGRYCFE-WXLQGSQKSA-N 0 3 212.293 0.447 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2cnsn2)C1 ZINC000744798556 712404232 /nfs/dbraw/zinc/40/42/32/712404232.db2.gz LHXVGTJKQABOKK-MRVPVSSYSA-N 0 3 240.332 0.610 20 0 BCADHN CN1CCN(C(=O)C(C)(C)O)CCC1(C)C ZINC000712648788 712439867 /nfs/dbraw/zinc/43/98/67/712439867.db2.gz ADSCXRNUJMPXOE-UHFFFAOYSA-N 0 3 228.336 0.700 20 0 BCADHN O=C(NC[C@H]1CCN1CC1CC1)[C@H]1CCCO1 ZINC001038041154 712459113 /nfs/dbraw/zinc/45/91/13/712459113.db2.gz QXBXWHNUIIMHPE-VXGBXAGGSA-N 0 3 238.331 0.766 20 0 BCADHN O=S1(=O)CCC[C@@H]1CCNCc1cn[nH]c1 ZINC000714346873 712483387 /nfs/dbraw/zinc/48/33/87/712483387.db2.gz FRINWIQUTYKPOX-SNVBAGLBSA-N 0 3 243.332 0.467 20 0 BCADHN CCNC(=O)[C@H](C)NC[C@H]1COC(C)(C)O1 ZINC000715066616 712505076 /nfs/dbraw/zinc/50/50/76/712505076.db2.gz OGCOXLMFZASQET-IUCAKERBSA-N 0 3 230.308 0.252 20 0 BCADHN CCN(CC)C(=O)CNC[C@H]1COC(C)(C)O1 ZINC000715123287 712511106 /nfs/dbraw/zinc/51/11/06/712511106.db2.gz XGBBJIRDUXZIDP-JTQLQIEISA-N 0 3 244.335 0.596 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000715401498 712516757 /nfs/dbraw/zinc/51/67/57/712516757.db2.gz JDTBUIBYUNXJEL-BBBLOLIVSA-N 0 3 235.274 0.969 20 0 BCADHN COC(=O)CCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000715525334 712526244 /nfs/dbraw/zinc/52/62/44/712526244.db2.gz IGDXUHQFBYYJGV-KNVOCYPGSA-N 0 3 205.204 0.746 20 0 BCADHN C[C@H](N)C(=O)Nc1ccccc1C(=O)N(C)C ZINC000037003018 712528921 /nfs/dbraw/zinc/52/89/21/712528921.db2.gz LIGBHHMWRUZTLJ-QMMMGPOBSA-N 0 3 235.287 0.674 20 0 BCADHN C[C@H](NCC1(N(C)C)CC1)c1cn(C)nn1 ZINC000715841738 712533136 /nfs/dbraw/zinc/53/31/36/712533136.db2.gz JKPHPFMIKBFVBP-VIFPVBQESA-N 0 3 223.324 0.560 20 0 BCADHN C[C@@H](NCC[C@H](C)CCO)c1cn(C)nn1 ZINC000715854590 712536705 /nfs/dbraw/zinc/53/67/05/712536705.db2.gz VPIVWDUHSWVOPU-VHSXEESVSA-N 0 3 226.324 0.874 20 0 BCADHN CCCn1cc([C@@H](C)NCCN(C)C)nn1 ZINC000715857388 712537098 /nfs/dbraw/zinc/53/70/98/712537098.db2.gz CVFFIJMXGADUQC-SNVBAGLBSA-N 0 3 225.340 0.900 20 0 BCADHN CN(C1CCCC1)S(=O)(=O)N1CCNCC1 ZINC000037092935 712537208 /nfs/dbraw/zinc/53/72/08/712537208.db2.gz QMPPYNVLDAOWDK-UHFFFAOYSA-N 0 3 247.364 0.011 20 0 BCADHN CC[C@H](CCO)CN[C@@H](C)c1cn(C)nn1 ZINC000715878996 712539068 /nfs/dbraw/zinc/53/90/68/712539068.db2.gz RHQFJNKBPFZIDJ-VHSXEESVSA-N 0 3 226.324 0.874 20 0 BCADHN CC[C@H](CCO)CN[C@H](C)c1cn(C)nn1 ZINC000715878993 712539253 /nfs/dbraw/zinc/53/92/53/712539253.db2.gz RHQFJNKBPFZIDJ-NXEZZACHSA-N 0 3 226.324 0.874 20 0 BCADHN CC(C)[C@H](CCO)N[C@@H](C)c1cn(C)nn1 ZINC000715879001 712539395 /nfs/dbraw/zinc/53/93/95/712539395.db2.gz RIDKEJFUPVJDAL-UWVGGRQHSA-N 0 3 226.324 0.873 20 0 BCADHN C[C@@H](NCCN1CCCC1)c1cn(C)nn1 ZINC000715915389 712542048 /nfs/dbraw/zinc/54/20/48/712542048.db2.gz VYNLOOBUPGOWPF-SNVBAGLBSA-N 0 3 223.324 0.562 20 0 BCADHN C[C@H](N)C(=O)NCC[C@@H]1CCCS1 ZINC000716034801 712547624 /nfs/dbraw/zinc/54/76/24/712547624.db2.gz GHZOQNPAIOIXGM-YUMQZZPRSA-N 0 3 202.323 0.736 20 0 BCADHN Cc1cc(CNC[C@H]2COC(C)(C)O2)[nH]n1 ZINC000716471077 712563247 /nfs/dbraw/zinc/56/32/47/712563247.db2.gz VGZRKCCECIOIOA-JTQLQIEISA-N 0 3 225.292 0.959 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)/C=C\c1ccco1 ZINC000716692341 712570332 /nfs/dbraw/zinc/57/03/32/712570332.db2.gz XWFQONWHDXOVBI-OMMCCPJFSA-N 0 3 238.287 0.332 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CC1(C)C ZINC000716785155 712573573 /nfs/dbraw/zinc/57/35/73/712573573.db2.gz ILIGWGKGWXYGTQ-BDAKNGLRSA-N 0 3 214.309 0.071 20 0 BCADHN CC/C=C(/C)C(=O)N[C@H](CO)CN(C)C ZINC000716786213 712573591 /nfs/dbraw/zinc/57/35/91/712573591.db2.gz NUBBYILTVREYBY-MBACFSSFSA-N 0 3 214.309 0.381 20 0 BCADHN CC/C=C(/C)C(=O)N[C@@H](CO)CN(C)C ZINC000716786212 712573638 /nfs/dbraw/zinc/57/36/38/712573638.db2.gz NUBBYILTVREYBY-ABRRARGCSA-N 0 3 214.309 0.381 20 0 BCADHN CCS(=O)(=O)CCN[C@@H](C)COC ZINC000037370430 712577862 /nfs/dbraw/zinc/57/78/62/712577862.db2.gz VQFVEFLRFOCAIS-QMMMGPOBSA-N 0 3 209.311 0.046 20 0 BCADHN Cc1nc(C)c(CN2C[C@@H](C)[C@H](O)C2)[nH]1 ZINC000930163219 712616050 /nfs/dbraw/zinc/61/60/50/712616050.db2.gz RFNVOGBNLFYPPS-RDDDGLTNSA-N 0 3 209.293 0.839 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCc1ccon1 ZINC000379921509 712627435 /nfs/dbraw/zinc/62/74/35/712627435.db2.gz RWACSHDWBMLIQG-SECBINFHSA-N 0 3 209.249 0.418 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1ccc(F)cc1 ZINC000717278090 712642281 /nfs/dbraw/zinc/64/22/81/712642281.db2.gz PYMVVRDFDIDAAH-GZMMTYOYSA-N 0 3 213.252 0.657 20 0 BCADHN COCC[C@H](N)C(=O)NCC1CC=CC1 ZINC000717305099 712645975 /nfs/dbraw/zinc/64/59/75/712645975.db2.gz CXMDFUGUPOBRFG-JTQLQIEISA-N 0 3 212.293 0.433 20 0 BCADHN CC(C)n1cncc1CNC[C@H](O)[C@H](C)O ZINC000717306068 712646008 /nfs/dbraw/zinc/64/60/08/712646008.db2.gz HZEDJIMSVBYSEI-ONGXEEELSA-N 0 3 227.308 0.295 20 0 BCADHN Cc1ccc(F)cc1CNC[C@@H](O)[C@H](C)O ZINC000717309918 712646248 /nfs/dbraw/zinc/64/62/48/712646248.db2.gz VRSUAJICRVGKOP-JOYOIKCWSA-N 0 3 227.279 0.965 20 0 BCADHN COCc1csc(CNC[C@@H](O)[C@H](C)O)c1 ZINC000717377330 712652519 /nfs/dbraw/zinc/65/25/19/712652519.db2.gz UQQBUSCAMILZFP-GZMMTYOYSA-N 0 3 245.344 0.726 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1cnn2ccccc12 ZINC000717389104 712653178 /nfs/dbraw/zinc/65/31/78/712653178.db2.gz SVJGCALMAHAJJK-JOYOIKCWSA-N 0 3 235.287 0.166 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1cnn2ccccc12 ZINC000717389101 712653230 /nfs/dbraw/zinc/65/32/30/712653230.db2.gz SVJGCALMAHAJJK-BXKDBHETSA-N 0 3 235.287 0.166 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1ccsc1 ZINC000717393087 712653465 /nfs/dbraw/zinc/65/34/65/712653465.db2.gz HBFNOPMQIVAKJJ-CBAPKCEASA-N 0 3 201.291 0.579 20 0 BCADHN COc1ccc(CNC[C@@H](O)[C@@H](C)O)cc1O ZINC000717391487 712653911 /nfs/dbraw/zinc/65/39/11/712653911.db2.gz AXEGMROTOIWDKO-LDYMZIIASA-N 0 3 241.287 0.232 20 0 BCADHN Cc1ccncc1CNC[C@@H](O)[C@@H](C)O ZINC000717428519 712657270 /nfs/dbraw/zinc/65/72/70/712657270.db2.gz QUUSRFIMEDICKV-MWLCHTKSSA-N 0 3 210.277 0.221 20 0 BCADHN COC1(OC)CC[C@H]1NC/C=C/CO ZINC000717532088 712660451 /nfs/dbraw/zinc/66/04/51/712660451.db2.gz LKGBNEBZIOVSPI-CDAZIORVSA-N 0 3 201.266 0.276 20 0 BCADHN CC1(C)CO[C@@H](CNC(=O)C2(N)CC2)C1 ZINC000717615565 712662586 /nfs/dbraw/zinc/66/25/86/712662586.db2.gz AVPGTRYPGZBAKS-MRVPVSSYSA-N 0 3 212.293 0.409 20 0 BCADHN Cc1cc(N[C@@H](CO)C2CCC2)nc(N)n1 ZINC000717618202 712662819 /nfs/dbraw/zinc/66/28/19/712662819.db2.gz LFSCQRILYKREIW-VIFPVBQESA-N 0 3 222.292 0.940 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N[C@@H](CO)C1CCC1 ZINC000717649033 712663136 /nfs/dbraw/zinc/66/31/36/712663136.db2.gz KJGCJMPSRSDXDY-QWRGUYRKSA-N 0 3 226.320 0.391 20 0 BCADHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1ccns1 ZINC000717721110 712666014 /nfs/dbraw/zinc/66/60/14/712666014.db2.gz WNJJKZYLOZPASA-ZCFIWIBFSA-N 0 3 235.334 0.029 20 0 BCADHN [NH3+]C1(C[N-]S(=O)(=O)c2ccns2)CCC1 ZINC000717734959 712669355 /nfs/dbraw/zinc/66/93/55/712669355.db2.gz CVKLJPAUZXVIAV-UHFFFAOYSA-N 0 3 247.345 0.303 20 0 BCADHN COC[C@H](O)CNCc1ccc(F)nc1 ZINC000380028372 712683240 /nfs/dbraw/zinc/68/32/40/712683240.db2.gz ZMQVTOYOEHYGKE-SECBINFHSA-N 0 3 214.240 0.318 20 0 BCADHN CN(C)c1noc([C@@H]2CNCCC2(F)F)n1 ZINC000717868003 712695495 /nfs/dbraw/zinc/69/54/95/712695495.db2.gz BMEIHOIGELKWFG-LURJTMIESA-N 0 3 232.234 0.848 20 0 BCADHN CN1CC[C@H](CNC(=O)c2coc(C=O)c2)C1 ZINC000930362270 712697191 /nfs/dbraw/zinc/69/71/91/712697191.db2.gz HDGSUWLOYBKVIP-SECBINFHSA-N 0 3 236.271 0.774 20 0 BCADHN COc1cccc(CNC2CC(CC(N)=O)C2)n1 ZINC000718474326 712764662 /nfs/dbraw/zinc/76/46/62/712764662.db2.gz AAZAPCCRLDQTHK-UHFFFAOYSA-N 0 3 249.314 0.834 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2CCN[C@@H](C)[C@H]2C)C1 ZINC000718538513 712771665 /nfs/dbraw/zinc/77/16/65/712771665.db2.gz BLPJFCBYWGYFLV-MMWGEVLESA-N 0 3 226.320 0.620 20 0 BCADHN COCC(C)(C)CCNC(=O)C1(N)CC1 ZINC000718936525 712789229 /nfs/dbraw/zinc/78/92/29/712789229.db2.gz ZUHGNFRNLPWPRM-UHFFFAOYSA-N 0 3 214.309 0.657 20 0 BCADHN CCNC(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000718871857 712786963 /nfs/dbraw/zinc/78/69/63/712786963.db2.gz MHESIULBNWCUFI-ZJUUUORDSA-N 0 3 211.309 0.884 20 0 BCADHN COCC(C)(C)CCNC(=O)[C@@H](N)CN(C)C ZINC000718944227 712789883 /nfs/dbraw/zinc/78/98/83/712789883.db2.gz YTSGUQDYUZTQCW-JTQLQIEISA-N 0 3 245.367 0.054 20 0 BCADHN Cc1nccnc1CN1CC[C@@H](C2OCCO2)C1 ZINC000719097003 712796798 /nfs/dbraw/zinc/79/67/98/712796798.db2.gz DJKKPKKCZNRZNG-LLVKDONJSA-N 0 3 249.314 0.980 20 0 BCADHN C[C@H]1COC[C@H]1NCc1cnc2n1CCC2 ZINC000719154035 712798731 /nfs/dbraw/zinc/79/87/31/712798731.db2.gz NQNVIFKCEWJYHK-GXSJLCMTSA-N 0 3 221.304 0.954 20 0 BCADHN C[C@@H]1CCN(C(=O)c2c(CN)cnn2C)[C@H]1C ZINC000719205071 712800140 /nfs/dbraw/zinc/80/01/40/712800140.db2.gz MJWHYAWDVQMZES-BDAKNGLRSA-N 0 3 236.319 0.749 20 0 BCADHN Cc1ccnc(NC(=O)c2c(CN)cnn2C)c1 ZINC000719229725 712800843 /nfs/dbraw/zinc/80/08/43/712800843.db2.gz DHCNKKWPOIFVGZ-UHFFFAOYSA-N 0 3 245.286 0.835 20 0 BCADHN Cn1ncc(CN)c1C(=O)N[C@@H]1CC=CCC1 ZINC000719247030 712801381 /nfs/dbraw/zinc/80/13/81/712801381.db2.gz JUPJHVOEICEZDS-SNVBAGLBSA-N 0 3 234.303 0.717 20 0 BCADHN CCN(CC)C(=O)c1c(CN)cnn1C ZINC000719244128 712801396 /nfs/dbraw/zinc/80/13/96/712801396.db2.gz KMVDLPVJONTNRO-UHFFFAOYSA-N 0 3 210.281 0.361 20 0 BCADHN Cn1ncc(CN)c1C(=O)NCCC(C)(C)F ZINC000719278747 712803019 /nfs/dbraw/zinc/80/30/19/712803019.db2.gz GFHQHPIJLFKOFJ-UHFFFAOYSA-N 0 3 242.298 0.747 20 0 BCADHN COc1c(N)ncnc1N[C@@H]1CCN(C)[C@H]1C ZINC000719332704 712804386 /nfs/dbraw/zinc/80/43/86/712804386.db2.gz IMALMGUKQXNLFQ-JGVFFNPUSA-N 0 3 237.307 0.572 20 0 BCADHN CCCNC(=S)N[C@H]1CCN(C)[C@H]1C ZINC000719368228 712806059 /nfs/dbraw/zinc/80/60/59/712806059.db2.gz VFXLPRCTFABKFC-IUCAKERBSA-N 0 3 215.366 0.953 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2ccn(C)c(=O)c2)CCN1C ZINC000719348108 712805321 /nfs/dbraw/zinc/80/53/21/712805321.db2.gz YSUWQIYZJDQGQR-KOLCDFICSA-N 0 3 249.314 0.208 20 0 BCADHN C[C@H]1[C@@H](NC(=O)NCC2CC2)CCN1C ZINC000719375174 712807104 /nfs/dbraw/zinc/80/71/04/712807104.db2.gz XIKFPHLLRSUGQU-WPRPVWTQSA-N 0 3 211.309 0.788 20 0 BCADHN C[C@H]1[C@@H](NCc2csnn2)CCN1C ZINC000719584973 712813312 /nfs/dbraw/zinc/81/33/12/712813312.db2.gz RVJZGEBIUIECQH-CBAPKCEASA-N 0 3 212.322 0.720 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@H](C(C)(C)O)C1 ZINC000719685999 712821416 /nfs/dbraw/zinc/82/14/16/712821416.db2.gz CINQUTSZUWRZDH-BDAKNGLRSA-N 0 3 214.309 0.343 20 0 BCADHN OCCN(CCO)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720562097 712851427 /nfs/dbraw/zinc/85/14/27/712851427.db2.gz RFNGAGVOIYXOFC-GRYCIOLGSA-N 0 3 229.320 0.231 20 0 BCADHN C[C@@H]1Cc2cc(CN[C@@H]3COC[C@H]3O)ccc2O1 ZINC000720749530 712863796 /nfs/dbraw/zinc/86/37/96/712863796.db2.gz RRFQWKOPQIMKQR-OASPWFOLSA-N 0 3 249.310 0.859 20 0 BCADHN C[C@H]1Cc2cc(CNC(CO)CO)ccc2O1 ZINC000720790281 712865781 /nfs/dbraw/zinc/86/57/81/712865781.db2.gz KDIFPFANVIFODR-VIFPVBQESA-N 0 3 237.299 0.453 20 0 BCADHN Cn1nncc1CNC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720861495 712870800 /nfs/dbraw/zinc/87/08/00/712870800.db2.gz NXMWMSIUMYYYHK-ZMLRMANQSA-N 0 3 236.319 0.862 20 0 BCADHN NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000721134076 712892008 /nfs/dbraw/zinc/89/20/08/712892008.db2.gz MFZWOSBBXZFOAW-SNVBAGLBSA-N 0 3 205.261 0.369 20 0 BCADHN CC(=O)NC[C@H]1CCN1CC[C@@H](C)F ZINC001037984068 712895136 /nfs/dbraw/zinc/89/51/36/712895136.db2.gz CCWIRXJCTGSNAP-PSASIEDQSA-N 0 3 202.273 0.945 20 0 BCADHN CC(=O)NC[C@@H]1CCN1CC[C@@H]1CCOC1 ZINC001037987328 712896813 /nfs/dbraw/zinc/89/68/13/712896813.db2.gz OQXNIZSPNFVOOF-NEPJUHHUSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H]1CN(c2cccc(C(N)=O)n2)[C@@H](C)CN1C ZINC001164633126 719217029 /nfs/dbraw/zinc/21/70/29/719217029.db2.gz DDESXUOZQNAJHC-ZJUUUORDSA-N 0 3 248.330 0.709 20 0 BCADHN C[C@@H]1CN(c2cc(N)ncn2)[C@@H](C)CN1C ZINC001164634876 719231449 /nfs/dbraw/zinc/23/14/49/719231449.db2.gz HZOGHWZUNGHXHX-BDAKNGLRSA-N 0 3 221.308 0.588 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000638695834 352533456 /nfs/dbraw/zinc/53/34/56/352533456.db2.gz VDBRUEAUOXTDMI-ACZMJKKPSA-N 0 3 240.225 0.512 20 0 BCADHN Cc1nn(CCN2CCCCC2)c(=O)n1C ZINC000650348236 398136421 /nfs/dbraw/zinc/13/64/21/398136421.db2.gz FGQQXKCQDDPEOY-UHFFFAOYSA-N 0 3 224.308 0.376 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)CCO)N1CCCCC1 ZINC000340039792 167341388 /nfs/dbraw/zinc/34/13/88/167341388.db2.gz WLHTUPNBNVBNSL-LBPRGKRZSA-N 0 3 242.363 0.948 20 0 BCADHN COCCCN(C)C(=O)CNC1CC1 ZINC000062033641 349436747 /nfs/dbraw/zinc/43/67/47/349436747.db2.gz BIMGUONSEJFWFV-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN CN1CCC[C@@H](N2CC[C@@H](CCCO)C2)C1=O ZINC000650353285 398142607 /nfs/dbraw/zinc/14/26/07/398142607.db2.gz CEPHCHUBSWGACA-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN CCO[C@@H]1CCCN(C[C@H]2COCCO2)C1 ZINC000649318277 398142795 /nfs/dbraw/zinc/14/27/95/398142795.db2.gz NRKIMTBXJIGPDI-NEPJUHHUSA-N 0 3 229.320 0.903 20 0 BCADHN CC/C(C)=C/C(=O)NC[C@@](C)(O)CN(C)C ZINC000297101199 398142852 /nfs/dbraw/zinc/14/28/52/398142852.db2.gz LDRWOVGUALYTPM-OFFHKIPUSA-N 0 3 228.336 0.772 20 0 BCADHN COC[C@@H](NCC(=O)N1CCCC1)C1CC1 ZINC000161560559 349473069 /nfs/dbraw/zinc/47/30/69/349473069.db2.gz ABWUPTXFLDRZIF-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN O=C(Nc1cccnc1)N1CCOC2(CNC2)C1 ZINC000623065216 349469734 /nfs/dbraw/zinc/46/97/34/349469734.db2.gz VWDOAQDPRKHPSW-UHFFFAOYSA-N 0 3 248.286 0.288 20 0 BCADHN CC(C)NS(=O)(=O)NC[C@H](C)N1CCCC1 ZINC000062348502 349472217 /nfs/dbraw/zinc/47/22/17/349472217.db2.gz WSHWGYOQELZMKB-JTQLQIEISA-N 0 3 249.380 0.303 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@]2(CCOC2)C1 ZINC000153418921 136212889 /nfs/dbraw/zinc/21/28/89/136212889.db2.gz NIXSAKMCBZBEEY-MFKMUULPSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@@H](Cn1cccn1)N[C@@H]1CNCCC1(F)F ZINC000415003747 398145455 /nfs/dbraw/zinc/14/54/55/398145455.db2.gz PJTRTTZFMAPWLA-VHSXEESVSA-N 0 3 244.289 0.858 20 0 BCADHN C[C@@H](CCO)N(C)Cc1cccc(C(N)=O)c1 ZINC000649865218 398146272 /nfs/dbraw/zinc/14/62/72/398146272.db2.gz RPAFRRJHFNTHLA-JTQLQIEISA-N 0 3 236.315 0.988 20 0 BCADHN Cc1csc(=O)n1CCN(C)[C@@H](C)CCO ZINC000649864079 398146357 /nfs/dbraw/zinc/14/63/57/398146357.db2.gz YOUIAVOMBFHXOB-VIFPVBQESA-N 0 3 244.360 0.921 20 0 BCADHN CCCn1cc(CN[C@@H]2CC[C@H]2O)cn1 ZINC000378714535 346813721 /nfs/dbraw/zinc/81/37/21/346813721.db2.gz XLLAKKATLXMTFU-GHMZBOCLSA-N 0 3 209.293 0.906 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CCCOCC1 ZINC000061920485 187322170 /nfs/dbraw/zinc/32/21/70/187322170.db2.gz SCDNNWMUGVUAFG-JTQLQIEISA-N 0 3 214.309 0.609 20 0 BCADHN Cc1nnsc1CNC[C@H](O)C1CC1 ZINC000379632677 398158770 /nfs/dbraw/zinc/15/87/70/398158770.db2.gz PDPYMJWYNQWQKF-QMMMGPOBSA-N 0 3 213.306 0.707 20 0 BCADHN C[C@@H]1CN(CCN2CCN(C)C[C@@H]2C)CCO1 ZINC000337247690 187324186 /nfs/dbraw/zinc/32/41/86/187324186.db2.gz KJXHAAPYTKICAX-QWHCGFSZSA-N 0 3 241.379 0.343 20 0 BCADHN O=C(NCc1ncc[nH]1)[C@@H]1CNCCC1(F)F ZINC000649333361 398150052 /nfs/dbraw/zinc/15/00/52/398150052.db2.gz ORIXPDUFWXBSMU-ZETCQYMHSA-N 0 3 244.245 0.271 20 0 BCADHN Cc1cc(CN2CC[C@H](CO)[C@H]2C)n(C)n1 ZINC000335900057 178003380 /nfs/dbraw/zinc/00/33/80/178003380.db2.gz QCIGZCPHLLRURL-GHMZBOCLSA-N 0 3 223.320 0.931 20 0 BCADHN CS[C@H](C)CNC(=O)[C@]1(F)CCNC1 ZINC000125429559 398151271 /nfs/dbraw/zinc/15/12/71/398151271.db2.gz YUTNVXPNTCSLAU-APPZFPTMSA-N 0 3 220.313 0.556 20 0 BCADHN C[C@@H]1COCCCN1CCn1ccnc1 ZINC000677987278 488169911 /nfs/dbraw/zinc/16/99/11/488169911.db2.gz SLXPWYIZIMUWRH-LLVKDONJSA-N 0 3 209.293 0.994 20 0 BCADHN Cc1cc(CN2C[C@H](O)[C@@H](CO)C2)cs1 ZINC000317574331 178008013 /nfs/dbraw/zinc/00/80/13/178008013.db2.gz 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C[C@H](CCO)N(C)CCN1CCO[C@H](C)C1 ZINC000649869701 398155757 /nfs/dbraw/zinc/15/57/57/398155757.db2.gz KEOQJSUXALESDY-VXGBXAGGSA-N 0 3 230.352 0.410 20 0 BCADHN Cc1cc(CNC(=O)[C@H]2C[C@@H](C)CCN2)on1 ZINC000127061486 178015477 /nfs/dbraw/zinc/01/54/77/178015477.db2.gz IIRGXDDHBKBIGR-GZMMTYOYSA-N 0 3 237.303 0.987 20 0 BCADHN CN1CCC[C@@H](N2CCC3(CCO3)CC2)C1=O ZINC000580467801 398156215 /nfs/dbraw/zinc/15/62/15/398156215.db2.gz SIOYMFCSPKRGCF-LLVKDONJSA-N 0 3 238.331 0.862 20 0 BCADHN C[C@H](N(C)C(=O)CN1CCNCC1)C1(C)CC1 ZINC000385388851 398159809 /nfs/dbraw/zinc/15/98/09/398159809.db2.gz BGUZAEPNMKLUKC-NSHDSACASA-N 0 3 239.363 0.539 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)C[C@@H](O)C1CC1 ZINC000649342508 398159821 /nfs/dbraw/zinc/15/98/21/398159821.db2.gz SFWDKEXEXWFEIH-GHMZBOCLSA-N 0 3 215.293 0.029 20 0 BCADHN CC(=O)[C@@](C)(O)CN(C)CCN1CCCCC1 ZINC000649889874 398168567 /nfs/dbraw/zinc/16/85/67/398168567.db2.gz PDUWZDPLGVHOLB-ZDUSSCGKSA-N 0 3 242.363 0.744 20 0 BCADHN 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ZINC000111687222 136216020 /nfs/dbraw/zinc/21/60/20/136216020.db2.gz XNNMOVFHKKMRNE-NSHDSACASA-N 0 3 241.335 0.642 20 0 BCADHN O=C(Cc1ccon1)NC[C@@H]1C[C@H](F)CN1 ZINC000649363112 398174756 /nfs/dbraw/zinc/17/47/56/398174756.db2.gz VYDUNKRHCDDVOW-CBAPKCEASA-N 0 3 227.239 0.033 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000424206704 398176457 /nfs/dbraw/zinc/17/64/57/398176457.db2.gz HXJWZIHQPJGXIP-DCAQKATOSA-N 0 3 226.320 0.513 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N[C@H]1CC12CC2 ZINC000424220329 398178049 /nfs/dbraw/zinc/17/80/49/398178049.db2.gz HTVBKBIJTJUINU-UWVGGRQHSA-N 0 3 224.304 0.424 20 0 BCADHN O=C(CNC[C@H]1CCCO1)N[C@H]1CC12CC2 ZINC000424220331 398178166 /nfs/dbraw/zinc/17/81/66/398178166.db2.gz HTVBKBIJTJUINU-ZJUUUORDSA-N 0 3 224.304 0.424 20 0 BCADHN OCC1(CN2CC[C@@]3(CC3(F)F)C2)COC1 ZINC000649905098 398178679 /nfs/dbraw/zinc/17/86/79/398178679.db2.gz SUTYOBFVPZFCFO-SNVBAGLBSA-N 0 3 233.258 0.726 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@]2(CC2(F)F)C1 ZINC000649907477 398180823 /nfs/dbraw/zinc/18/08/23/398180823.db2.gz SFNRTSAUTGUQHP-WPRPVWTQSA-N 0 3 230.258 0.996 20 0 BCADHN C[C@@H](C(=O)N1C[C@H](N)Cc2ccccc21)N(C)C ZINC000649368847 398181226 /nfs/dbraw/zinc/18/12/26/398181226.db2.gz AOMFORJLYMQGCR-CMPLNLGQSA-N 0 3 247.342 0.853 20 0 BCADHN CC[C@]1(C)COCCN1CCC(=O)NC ZINC000340904652 398181800 /nfs/dbraw/zinc/18/18/00/398181800.db2.gz NBOLLHMCFJPLEP-LLVKDONJSA-N 0 3 214.309 0.623 20 0 BCADHN CC[C@H](O)[C@@H]1CCCCN1CC(=O)NC ZINC000112680992 187325355 /nfs/dbraw/zinc/32/53/55/187325355.db2.gz RXKKPNNAUSNLDB-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN NC(=O)CCNCc1ccc2c(n1)CCCC2 ZINC000576221069 365526129 /nfs/dbraw/zinc/52/61/29/365526129.db2.gz UHNTXFRJQNCXNF-UHFFFAOYSA-N 0 3 233.315 0.925 20 0 BCADHN CC[C@@H](C(N)=O)N(C)CCN1CCCCC1 ZINC000649888516 398166283 /nfs/dbraw/zinc/16/62/83/398166283.db2.gz WGJXIYFPEJYQAT-NSHDSACASA-N 0 3 227.352 0.668 20 0 BCADHN CN(CCN1CCCCC1)CC1(CO)COC1 ZINC000649888506 398166577 /nfs/dbraw/zinc/16/65/77/398166577.db2.gz VXBQNRVBIXQKCH-UHFFFAOYSA-N 0 3 242.363 0.413 20 0 BCADHN CC[C@@H](N)C(=O)N(CCC(N)=O)c1ccccc1 ZINC000129190380 398186641 /nfs/dbraw/zinc/18/66/41/398186641.db2.gz VMIOFJJWVDKLAD-LLVKDONJSA-N 0 3 249.314 0.632 20 0 BCADHN CN1C[C@@H](NCc2cn[nH]c2)CCC1=O ZINC000380341814 343981373 /nfs/dbraw/zinc/98/13/73/343981373.db2.gz RVCMFMBUAGFKMV-VIFPVBQESA-N 0 3 208.265 0.120 20 0 BCADHN CCCN[C@H](C)C(=O)Nc1nncs1 ZINC000576223672 365527009 /nfs/dbraw/zinc/52/70/09/365527009.db2.gz GWONEZCWNFVETI-ZCFIWIBFSA-N 0 3 214.294 0.865 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@H]([C@H](C)O)C1 ZINC000576223909 365527537 /nfs/dbraw/zinc/52/75/37/365527537.db2.gz VQJQAWFLYUWESH-QWRGUYRKSA-N 0 3 243.351 0.397 20 0 BCADHN Cc1cc(F)ccc1CN1C[C@H](O)[C@H](CO)C1 ZINC000316557768 178084961 /nfs/dbraw/zinc/08/49/61/178084961.db2.gz SHUPZESAIRBBDD-AAEUAGOBSA-N 0 3 239.290 0.919 20 0 BCADHN NCC(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000649380285 398189850 /nfs/dbraw/zinc/18/98/50/398189850.db2.gz JRDFDIUIBVKZPR-GHMZBOCLSA-N 0 3 226.320 0.610 20 0 BCADHN Cc1cc(F)ccc1NC(=O)[C@H]1C[C@@H](O)CN1 ZINC000020434390 178089339 /nfs/dbraw/zinc/08/93/39/178089339.db2.gz CCQJVBYIXPKYJY-MWLCHTKSSA-N 0 3 238.262 0.795 20 0 BCADHN CCC(CC)C(=O)NC[C@H]1CNCCO1 ZINC000036285063 168338869 /nfs/dbraw/zinc/33/88/69/168338869.db2.gz RQZFRRSGMDUCLE-SNVBAGLBSA-N 0 3 214.309 0.527 20 0 BCADHN CN(C)Cc1cnc(CNCCCO)s1 ZINC000336748125 398197167 /nfs/dbraw/zinc/19/71/67/398197167.db2.gz CKALPEQCLIBSKD-UHFFFAOYSA-N 0 3 229.349 0.677 20 0 BCADHN O=C1NCCN1CCN1CC[C@@]2(CC2(F)F)C1 ZINC000649908810 398185218 /nfs/dbraw/zinc/18/52/18/398185218.db2.gz XDXKJZSKSCQIQW-SNVBAGLBSA-N 0 3 245.273 0.743 20 0 BCADHN C[C@H](N[C@@H]1CCC[C@]1(C)CO)C(=O)N(C)C ZINC000309521845 136219021 /nfs/dbraw/zinc/21/90/21/136219021.db2.gz CDZFLKVCGSRZSD-HOSYDEDBSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1sccc1CN[C@@H]1COC[C@@H]1O ZINC000306766073 398202022 /nfs/dbraw/zinc/20/20/22/398202022.db2.gz NSHKZBLPLQBNHI-ZJUUUORDSA-N 0 3 213.302 0.906 20 0 BCADHN CCC[C@H](O)CN1CCNC(=O)C[C@H]1C ZINC000649400023 398202099 /nfs/dbraw/zinc/20/20/99/398202099.db2.gz KEXDDUDWTRHBQY-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H]1[C@@H](C)CCN1C(=O)CN1CCNCC1 ZINC000380717676 398206308 /nfs/dbraw/zinc/20/63/08/398206308.db2.gz DZFOKDMBQHDKOY-WDEREUQCSA-N 0 3 225.336 0.149 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCS[C@H](C)C1 ZINC000336001051 187327603 /nfs/dbraw/zinc/32/76/03/187327603.db2.gz PGEKYQLBJQAPOI-PSASIEDQSA-N 0 3 217.334 0.764 20 0 BCADHN C[C@@H]1C(=O)NCCCN1C[C@@H]1CCCC[C@H]1O ZINC000576283195 365551125 /nfs/dbraw/zinc/55/11/25/365551125.db2.gz GIGBIIBAMPNTRW-GRYCIOLGSA-N 0 3 240.347 0.748 20 0 BCADHN COc1ccc(C(=O)N(C)[C@@H](C)C[NH3+])c([O-])c1 ZINC000123735843 398207968 /nfs/dbraw/zinc/20/79/68/398207968.db2.gz CFMINEFOFMVDAD-QMMMGPOBSA-N 0 3 238.287 0.820 20 0 BCADHN COC[C@](C)(CCO)NCCOCC1CC1 ZINC000085903977 398214582 /nfs/dbraw/zinc/21/45/82/398214582.db2.gz MMPZXMWEPWKJSS-LBPRGKRZSA-N 0 3 231.336 0.790 20 0 BCADHN C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ncccc1[O-] ZINC000576342950 365570872 /nfs/dbraw/zinc/57/08/72/365570872.db2.gz DAGCYAJKDHKNBF-JGVFFNPUSA-N 0 3 223.276 0.387 20 0 BCADHN CN([C@@H]1CCCNC1=O)[C@@H]1CCCC[C@H]1O ZINC000426212525 398215859 /nfs/dbraw/zinc/21/58/59/398215859.db2.gz ZXQRIGAZQNLYCI-GMTAPVOTSA-N 0 3 226.320 0.500 20 0 BCADHN O[C@@H](CN[C@@H]1COCC[C@H]1O)CC(F)(F)F ZINC000634729350 398216296 /nfs/dbraw/zinc/21/62/96/398216296.db2.gz HCDQYBCKMGRRLM-BWZBUEFSSA-N 0 3 243.225 0.039 20 0 BCADHN C[C@H](CO)CN[C@H](CO)c1ccccc1 ZINC000163242786 538926987 /nfs/dbraw/zinc/92/69/87/538926987.db2.gz BHEQHLUANOJCTC-CMPLNLGQSA-N 0 3 209.289 0.938 20 0 BCADHN Cc1cc(NC(=O)[C@H]2C[C@@H](O)CN2)ccc1F ZINC000061119345 178149242 /nfs/dbraw/zinc/14/92/42/178149242.db2.gz HWPZSQLYVZWJQO-MWLCHTKSSA-N 0 3 238.262 0.795 20 0 BCADHN Cc1cc(NCCN2CCN(C)CC2)nc(C)n1 ZINC000037498717 178162420 /nfs/dbraw/zinc/16/24/20/178162420.db2.gz NRRXLLKQEMHASL-UHFFFAOYSA-N 0 3 249.362 0.753 20 0 BCADHN 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ZINC000629981497 361827227 /nfs/dbraw/zinc/82/72/27/361827227.db2.gz BUTUAFHPLGSTBV-LBPRGKRZSA-N 0 3 242.319 0.302 20 0 BCADHN CCN[C@H](C)C(=O)NCCCCC(=O)OC ZINC000602451090 349552183 /nfs/dbraw/zinc/55/21/83/349552183.db2.gz ZXMGHXFOWPYEQE-SECBINFHSA-N 0 3 230.308 0.444 20 0 BCADHN CN(C(=O)Cc1cc[nH]n1)[C@@H]1CCCN(C)C1 ZINC000173245745 538948650 /nfs/dbraw/zinc/94/86/50/538948650.db2.gz ADRFXFAFKMNHQO-LLVKDONJSA-N 0 3 236.319 0.505 20 0 BCADHN CN(C(=O)Cc1ccn[nH]1)[C@@H]1CCCN(C)C1 ZINC000173245745 538948651 /nfs/dbraw/zinc/94/86/51/538948651.db2.gz ADRFXFAFKMNHQO-LLVKDONJSA-N 0 3 236.319 0.505 20 0 BCADHN CCN(CC(F)F)C(=O)C[C@@H]1CNCCO1 ZINC000386193698 398263547 /nfs/dbraw/zinc/26/35/47/398263547.db2.gz IUXUEMSHNIDGGE-MRVPVSSYSA-N 0 3 236.262 0.479 20 0 BCADHN COC(=O)CCNC(=O)[C@@H](N)CCC(C)C ZINC000602442471 349544287 /nfs/dbraw/zinc/54/42/87/349544287.db2.gz AZEOYAHRSAQWMD-VIFPVBQESA-N 0 3 230.308 0.429 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)COC2(C)CNC2)[C@@H](C)O1 ZINC000384860233 398260460 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ZINC000379919896 538981668 /nfs/dbraw/zinc/98/16/68/538981668.db2.gz GPFOTEYSXWRVEX-UHFFFAOYSA-N 0 3 229.349 0.547 20 0 BCADHN CCCNC(=O)CN[C@]1(CC)CCOC1 ZINC000379916066 538981698 /nfs/dbraw/zinc/98/16/98/538981698.db2.gz CGLXMWGXYSGIHN-LLVKDONJSA-N 0 3 214.309 0.671 20 0 BCADHN OCC[C@@]1(NCc2cn[nH]c2)CCOC1 ZINC000379947748 538982030 /nfs/dbraw/zinc/98/20/30/538982030.db2.gz RQFAJDGDRYHDNQ-SNVBAGLBSA-N 0 3 211.265 0.041 20 0 BCADHN Cn1ccc(CCNCc2cn[nH]c2)n1 ZINC000379971950 538983341 /nfs/dbraw/zinc/98/33/41/538983341.db2.gz BPUXVYRWBGNOQJ-UHFFFAOYSA-N 0 3 205.265 0.476 20 0 BCADHN Cc1c(C(=O)N2C[C@@H](C)NC[C@@H]2C)cnn1C ZINC000086467699 398292025 /nfs/dbraw/zinc/29/20/25/398292025.db2.gz ZXKPCJDATHRLFA-BDAKNGLRSA-N 0 3 236.319 0.551 20 0 BCADHN C[C@H](CO)CN[C@@H](CCO)c1ccco1 ZINC000380115663 538985175 /nfs/dbraw/zinc/98/51/75/538985175.db2.gz PKAKWECRQCEMIX-UWVGGRQHSA-N 0 3 213.277 0.921 20 0 BCADHN Cn1nccc1CNC[C@H]1CCCC(=O)N1 ZINC000381499895 539002011 /nfs/dbraw/zinc/00/20/11/539002011.db2.gz OGJNGFHFTQODRB-SECBINFHSA-N 0 3 222.292 0.178 20 0 BCADHN Cn1nccc1CNC[C@@H]1CCCC(=O)N1 ZINC000381499896 539002122 /nfs/dbraw/zinc/00/21/22/539002122.db2.gz OGJNGFHFTQODRB-VIFPVBQESA-N 0 3 222.292 0.178 20 0 BCADHN OCC[C@]1(CNCc2cn[nH]c2)CCOC1 ZINC000381639641 539005383 /nfs/dbraw/zinc/00/53/83/539005383.db2.gz ZHVVAZQZTQFCQB-LLVKDONJSA-N 0 3 225.292 0.288 20 0 BCADHN Cc1cnn(C)c1CN[C@@H]1CCCN(C)C1 ZINC000381703552 539006097 /nfs/dbraw/zinc/00/60/97/539006097.db2.gz ITMNAQCFKRKUDB-LLVKDONJSA-N 0 3 222.336 0.912 20 0 BCADHN C[C@@H](NCCc1nnnn1C)c1ccco1 ZINC000381721514 539006205 /nfs/dbraw/zinc/00/62/05/539006205.db2.gz LZEQHSVZSQRZFN-MRVPVSSYSA-N 0 3 221.264 0.696 20 0 BCADHN COc1cccc(CNCCCn2cncn2)n1 ZINC000381799929 539007581 /nfs/dbraw/zinc/00/75/81/539007581.db2.gz PPMXWJYJZMEFCL-UHFFFAOYSA-N 0 3 247.302 0.862 20 0 BCADHN COCCN1CC[C@H](NCc2cc(C)no2)C1 ZINC000383293804 539011573 /nfs/dbraw/zinc/01/15/73/539011573.db2.gz 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222.292 0.541 20 0 BCADHN Cc1ncc(C(=O)N2CCN[C@H](C)[C@H]2C)[nH]1 ZINC000335644645 136243348 /nfs/dbraw/zinc/24/33/48/136243348.db2.gz VTOIJLBREQCKAF-HTQZYQBOSA-N 0 3 222.292 0.541 20 0 BCADHN CC[C@@H]1[C@H](CO)CCN1CC(=O)N(CC)CC ZINC000385744802 342846246 /nfs/dbraw/zinc/84/62/46/342846246.db2.gz CFHKHSJOTGFUHY-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN Cn1cc(CCN2C3CCC2CC3)nn1 ZINC000625075411 342848315 /nfs/dbraw/zinc/84/83/15/342848315.db2.gz APPXXJKIZJAKMW-UHFFFAOYSA-N 0 3 206.293 0.984 20 0 BCADHN CC[C@H](C)N(CC)C(=O)CN1CCNCC1 ZINC000037113774 398301814 /nfs/dbraw/zinc/30/18/14/398301814.db2.gz GUOLCYXOCVTXLO-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN CCCN(CCO)CCc1cn(C)nn1 ZINC000625079601 342849526 /nfs/dbraw/zinc/84/95/26/342849526.db2.gz UUTGAKCYPUKDCO-UHFFFAOYSA-N 0 3 212.297 0.062 20 0 BCADHN OCCN(CCOC1CCOCC1)C1CC1 ZINC000625079378 342849537 /nfs/dbraw/zinc/84/95/37/342849537.db2.gz FDLLWXJMWHGVNJ-UHFFFAOYSA-N 0 3 229.320 0.639 20 0 BCADHN CC[C@@H](C)N(CC)C(=O)CN1CCNCC1 ZINC000037113773 398302038 /nfs/dbraw/zinc/30/20/38/398302038.db2.gz GUOLCYXOCVTXLO-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN CCN(C(=O)NCCNCCOC)C1CCC1 ZINC000418537466 192048875 /nfs/dbraw/zinc/04/88/75/192048875.db2.gz CWGFBWIWASSLRQ-UHFFFAOYSA-N 0 3 243.351 0.806 20 0 BCADHN CN(C[C@H](O)CC1(O)CCC1)C[C@H]1CCCO1 ZINC000625091247 342851108 /nfs/dbraw/zinc/85/11/08/342851108.db2.gz ZFNFJONLGCHUJU-VXGBXAGGSA-N 0 3 243.347 0.763 20 0 BCADHN CSCC(=O)NC[C@@H]1CCCN(C)C1 ZINC000170981452 342863331 /nfs/dbraw/zinc/86/33/31/342863331.db2.gz ARVVHHDEXPYUAU-VIFPVBQESA-N 0 3 216.350 0.807 20 0 BCADHN C[C@H](CF)NC[C@@H]1CNc2ccnn2C1 ZINC000648036690 398303873 /nfs/dbraw/zinc/30/38/73/398303873.db2.gz SNIAVJFUVHMRPB-RKDXNWHRSA-N 0 3 212.272 0.872 20 0 BCADHN C[C@@H](CF)NC[C@H]1CNc2ccnn2C1 ZINC000648036689 398303970 /nfs/dbraw/zinc/30/39/70/398303970.db2.gz SNIAVJFUVHMRPB-IUCAKERBSA-N 0 3 212.272 0.872 20 0 BCADHN CN(C)CCNC(=O)c1cccc2ncn(C)c21 ZINC000350869610 398304466 /nfs/dbraw/zinc/30/44/66/398304466.db2.gz LMRMRQZJAFVQPZ-UHFFFAOYSA-N 0 3 246.314 0.865 20 0 BCADHN CNC(=O)C(C)(C)CNCc1snnc1C ZINC000381254200 398305077 /nfs/dbraw/zinc/30/50/77/398305077.db2.gz QHGLYCGBOURELE-UHFFFAOYSA-N 0 3 242.348 0.708 20 0 BCADHN C[C@@H](CCNCc1ccnn1C)[S@@](C)=O ZINC000132570133 398307326 /nfs/dbraw/zinc/30/73/26/398307326.db2.gz QGHBKTRGUOHZLH-VFZGTOFNSA-N 0 3 229.349 0.667 20 0 BCADHN CO[C@@H](CNCC(=O)NCC1CC1)C1CC1 ZINC000382152254 398307913 /nfs/dbraw/zinc/30/79/13/398307913.db2.gz PZKJKCXVYKHQLY-NSHDSACASA-N 0 3 226.320 0.527 20 0 BCADHN C[C@@H]1CN(Cc2cccc(C(N)=O)c2)CC[C@@H]1O ZINC000167190962 136244534 /nfs/dbraw/zinc/24/45/34/136244534.db2.gz FJOUHERAEXGIAO-MFKMUULPSA-N 0 3 248.326 0.988 20 0 BCADHN C[C@@H](CN[C@@H]1CCC[C@@H]1CO)S(C)(=O)=O ZINC000583994533 342857438 /nfs/dbraw/zinc/85/74/38/342857438.db2.gz FWBYPOZFUSZJLC-IVZWLZJFSA-N 0 3 235.349 0.170 20 0 BCADHN COC[C@H](C)N[C@H](Cc1ccccc1)C(N)=O ZINC000351387327 136245517 /nfs/dbraw/zinc/24/55/17/136245517.db2.gz PPTOYDNPESPMFK-CMPLNLGQSA-N 0 3 236.315 0.708 20 0 BCADHN C([C@H]1CCOC1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000374543719 398319989 /nfs/dbraw/zinc/31/99/89/398319989.db2.gz AUFVTGPTNJRCLK-AGIUHOORSA-N 0 3 241.331 0.903 20 0 BCADHN C[C@@H](O)CNCc1ccc(C(N)=O)cc1 ZINC000035118336 342884046 /nfs/dbraw/zinc/88/40/46/342884046.db2.gz XRTQOQAAFSGERR-MRVPVSSYSA-N 0 3 208.261 0.256 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCCN1CCCO ZINC000650583355 398311734 /nfs/dbraw/zinc/31/17/34/398311734.db2.gz JCIGUNAEXJAXNG-TUAOUCFPSA-N 0 3 240.347 0.605 20 0 BCADHN COCCN(C)CCNC(=O)C12CC(C1)C2 ZINC000625133894 342886661 /nfs/dbraw/zinc/88/66/61/342886661.db2.gz MANGYKJDZOAZPQ-UHFFFAOYSA-N 0 3 226.320 0.481 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCN1CCCO ZINC000650587246 398313829 /nfs/dbraw/zinc/31/38/29/398313829.db2.gz JCIGUNAEXJAXNG-WOPDTQHZSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](O)c1ccccc1 ZINC000035605565 342889905 /nfs/dbraw/zinc/88/99/05/342889905.db2.gz IVSQEPYOAHLVBJ-PSASIEDQSA-N 0 3 208.261 0.183 20 0 BCADHN CN(CCO)Cc1ccc(C(N)=O)cc1 ZINC000011484100 346870719 /nfs/dbraw/zinc/87/07/19/346870719.db2.gz OALGGBOKCAQHHD-UHFFFAOYSA-N 0 3 208.261 0.210 20 0 BCADHN Cn1cncc1CCNCc1ccnn1C ZINC000401702157 342908851 /nfs/dbraw/zinc/90/88/51/342908851.db2.gz AOTJPBPUXUIIBT-UHFFFAOYSA-N 0 3 219.292 0.486 20 0 BCADHN C[C@@H]1C[C@@H](C)CN(CC(=O)NC(N)=O)C1 ZINC000016335117 342909671 /nfs/dbraw/zinc/90/96/71/342909671.db2.gz RUCWYFMCMYGOAR-HTQZYQBOSA-N 0 3 213.281 0.159 20 0 BCADHN CN(C[C@H](O)CN(C)C1CC1)c1cnn(C)c1 ZINC000351514815 136246309 /nfs/dbraw/zinc/24/63/09/136246309.db2.gz AKIUVJZSTAJSJA-GFCCVEGCSA-N 0 3 238.335 0.311 20 0 BCADHN CCOC[C@@H](NC(=O)[C@H](C)NC)C(C)C ZINC000233802297 342912867 /nfs/dbraw/zinc/91/28/67/342912867.db2.gz SUYXYTYYMMIXCJ-VHSXEESVSA-N 0 3 216.325 0.772 20 0 BCADHN CCN1CCC[C@@H]1CNCc1cc[nH]n1 ZINC000036900077 342913074 /nfs/dbraw/zinc/91/30/74/342913074.db2.gz JPUFRSOIIFYVNR-LLVKDONJSA-N 0 3 208.309 0.984 20 0 BCADHN C[C@@H](O)CCN(C)C[C@H](O)CC1(O)CCC1 ZINC000625185313 342904613 /nfs/dbraw/zinc/90/46/13/342904613.db2.gz WLVAMACZUMSSIY-GHMZBOCLSA-N 0 3 231.336 0.355 20 0 BCADHN CN[C@@H](C)C(=O)NCCOCC1CC1 ZINC000234424363 342924939 /nfs/dbraw/zinc/92/49/39/342924939.db2.gz GXYFKCJFYQAYKO-QMMMGPOBSA-N 0 3 200.282 0.137 20 0 BCADHN COC(=O)N1CC(NCC2(C)COC2)C1 ZINC000380010784 342915057 /nfs/dbraw/zinc/91/50/57/342915057.db2.gz RLMZVOQGEVXQQE-UHFFFAOYSA-N 0 3 214.265 0.063 20 0 BCADHN CN(C)Cc1cccc(NC(=O)CN)c1 ZINC000037019486 342916102 /nfs/dbraw/zinc/91/61/02/342916102.db2.gz WMMZIQLMPVLZQK-UHFFFAOYSA-N 0 3 207.277 0.645 20 0 BCADHN Cn1cc(CCN2CCC(C)(O)CC2)nn1 ZINC000625216826 342916727 /nfs/dbraw/zinc/91/67/27/342916727.db2.gz AJDIJGZNNIKOSP-UHFFFAOYSA-N 0 3 224.308 0.204 20 0 BCADHN CSCCN(C)C(=O)[C@H](N)CC(F)F ZINC000308475122 346875732 /nfs/dbraw/zinc/87/57/32/346875732.db2.gz KEZWBOLPYAOTLW-ZCFIWIBFSA-N 0 3 226.292 0.790 20 0 BCADHN CS[C@@H](C)CC(=O)NC[C@@](C)(O)CN(C)C ZINC000305454597 398327727 /nfs/dbraw/zinc/32/77/27/398327727.db2.gz SPECUPHYSZLVSJ-GXSJLCMTSA-N 0 3 248.392 0.557 20 0 BCADHN COC1CCN(CCN2CCOC[C@H]2C)CC1 ZINC000351618294 136248146 /nfs/dbraw/zinc/24/81/46/136248146.db2.gz HMDJULXEWNQFAC-GFCCVEGCSA-N 0 3 242.363 0.818 20 0 BCADHN COC(=O)c1oc(CNC(=O)[C@H](C)N)cc1C ZINC000602600712 349646607 /nfs/dbraw/zinc/64/66/07/349646607.db2.gz IIKSUYSMTLZABY-ZETCQYMHSA-N 0 3 240.259 0.338 20 0 BCADHN C[C@@](O)(CN[C@@H]1COCC[C@H]1O)C(F)(F)F ZINC000634729808 344011554 /nfs/dbraw/zinc/01/15/54/344011554.db2.gz XHISKSAASGLKOW-BWZBUEFSSA-N 0 3 243.225 0.039 20 0 BCADHN CC[C@]1(O)CCN(CCCC(=O)OC)C1 ZINC000495198700 529441282 /nfs/dbraw/zinc/44/12/82/529441282.db2.gz CXIVRXAJAXXZRM-NSHDSACASA-N 0 3 215.293 0.786 20 0 BCADHN COC(=O)c1[nH]c(CNCCCCO)cc1C ZINC000602638141 349652288 /nfs/dbraw/zinc/65/22/88/349652288.db2.gz CWLCJVMZXYRPBR-UHFFFAOYSA-N 0 3 240.303 0.972 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCCC[C@H](C)CO ZINC000354711976 398329613 /nfs/dbraw/zinc/32/96/13/398329613.db2.gz USRQMJQTWXJVED-WDEREUQCSA-N 0 3 245.367 0.644 20 0 BCADHN CC(C)CCCNC(=O)CN1CCNCC1 ZINC000038093906 398336091 /nfs/dbraw/zinc/33/60/91/398336091.db2.gz MQYONLCDAMEGGA-UHFFFAOYSA-N 0 3 227.352 0.444 20 0 BCADHN CC[C@@H]1OCC[C@H]1NC(=O)/C=C\CN(C)C ZINC000493753435 529468860 /nfs/dbraw/zinc/46/88/60/529468860.db2.gz KYFXDJZMYHKAHN-MXFLAHGMSA-N 0 3 226.320 0.788 20 0 BCADHN Cc1n[nH]cc1CNCCC(=O)NC(C)C ZINC000120941974 398337471 /nfs/dbraw/zinc/33/74/71/398337471.db2.gz NHUSLNUMJDABNC-UHFFFAOYSA-N 0 3 224.308 0.722 20 0 BCADHN CCOc1cccc(CNC(=O)CN)c1 ZINC000037679664 342939896 /nfs/dbraw/zinc/93/98/96/342939896.db2.gz LUYVAYIXYPKJCB-UHFFFAOYSA-N 0 3 208.261 0.660 20 0 BCADHN COCCOC[C@@H](O)CNCCC(F)(F)F ZINC000234718333 342939939 /nfs/dbraw/zinc/93/99/39/342939939.db2.gz FYIDXHKQWITMPK-QMMMGPOBSA-N 0 3 245.241 0.552 20 0 BCADHN CSCC[C@@H](N)C(=O)NC[C@H]1CCCCO1 ZINC000155055246 398339164 /nfs/dbraw/zinc/33/91/64/398339164.db2.gz IIHIHNDTCWNYJA-NXEZZACHSA-N 0 3 246.376 0.752 20 0 BCADHN C[C@@H](C(=O)NC[C@@](C)(O)CN(C)C)C1CC1 ZINC000153061911 398333863 /nfs/dbraw/zinc/33/38/63/398333863.db2.gz NJAWZFCCXFSURS-BXKDBHETSA-N 0 3 228.336 0.461 20 0 BCADHN Cn1cc(NC(=O)C2(N)CCCC2)ccc1=O ZINC000037770361 398334268 /nfs/dbraw/zinc/33/42/68/398334268.db2.gz DVQMIAIGQSMMFA-UHFFFAOYSA-N 0 3 235.287 0.595 20 0 BCADHN CC[C@@H]1CCCN1C(=O)CN1CCNCC1 ZINC000037914997 398335295 /nfs/dbraw/zinc/33/52/95/398335295.db2.gz MVMZUHFDNMHZJH-LLVKDONJSA-N 0 3 225.336 0.293 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@@H](O)C2CC2)C1 ZINC000668022371 488188668 /nfs/dbraw/zinc/18/86/68/488188668.db2.gz DWCKFHJTUHTQJY-QWRGUYRKSA-N 0 3 226.320 0.310 20 0 BCADHN O=C(CNC1CC1)NCc1cccc(CO)c1 ZINC000178919408 398339918 /nfs/dbraw/zinc/33/99/18/398339918.db2.gz BBYLBTSZWVNQHT-UHFFFAOYSA-N 0 3 234.299 0.547 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2ccc(N)cn2)CCN1C ZINC000157324938 398340048 /nfs/dbraw/zinc/34/00/48/398340048.db2.gz VGEWWZLEUXRMFL-ONGXEEELSA-N 0 3 248.330 0.876 20 0 BCADHN CCC[C@](C)(N)C(=O)NCC(=O)OCC ZINC000037713935 342943445 /nfs/dbraw/zinc/94/34/45/342943445.db2.gz ZICVJSAFWGKZEA-JTQLQIEISA-N 0 3 216.281 0.183 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ccnnc2)CN1C1CC1 ZINC000132704379 398341186 /nfs/dbraw/zinc/34/11/86/398341186.db2.gz IHFIKUNFCHDPKR-MWLCHTKSSA-N 0 3 246.314 0.832 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H](N)C2CCC2)CCCO1 ZINC000335510239 398341681 /nfs/dbraw/zinc/34/16/81/398341681.db2.gz GQECOTZXFJQSHC-MWLCHTKSSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H](CO)N(C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000338644442 398343140 /nfs/dbraw/zinc/34/31/40/398343140.db2.gz SYPJUTYWTJXRST-UWVGGRQHSA-N 0 3 241.335 0.245 20 0 BCADHN C[C@H](O)CN1CCN(CC2CCOCC2)CC1 ZINC000171829089 398343393 /nfs/dbraw/zinc/34/33/93/398343393.db2.gz KMUWEBFUFSTNPN-LBPRGKRZSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@@H](O)CN1CCN(CC2CCOCC2)CC1 ZINC000171829092 398343433 /nfs/dbraw/zinc/34/34/33/398343433.db2.gz KMUWEBFUFSTNPN-GFCCVEGCSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@H](F)CC[NH+]1CCC2(CC1)NC(=O)[N-]C2=O ZINC000351752623 136251324 /nfs/dbraw/zinc/25/13/24/136251324.db2.gz RZNURZXLCGBQNH-QMMMGPOBSA-N 0 3 243.282 0.409 20 0 BCADHN C[C@@H](F)CCN1CCN(C[C@H](C)O)CC1 ZINC000351817461 136255199 /nfs/dbraw/zinc/25/51/99/136255199.db2.gz ATGVECCEEXTRDB-MNOVXSKESA-N 0 3 218.316 0.733 20 0 BCADHN NC(=O)CCN[C@H]1COc2ccc(F)cc2C1 ZINC000580316495 346901709 /nfs/dbraw/zinc/90/17/09/346901709.db2.gz HYHJGKXZYMJCSY-SNVBAGLBSA-N 0 3 238.262 0.594 20 0 BCADHN COC(=O)CC1(NCc2ccc(=O)[nH]c2)CC1 ZINC000602697664 349693721 /nfs/dbraw/zinc/69/37/21/349693721.db2.gz HETOCCBPGBOFGP-UHFFFAOYSA-N 0 3 236.271 0.973 20 0 BCADHN COC[C@@H](C)N(C)C(=O)CNC1CC1 ZINC000037815780 342955275 /nfs/dbraw/zinc/95/52/75/342955275.db2.gz ZWERRMIOADKQSN-MRVPVSSYSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCc1cnn(C)c1 ZINC000351831037 136256391 /nfs/dbraw/zinc/25/63/91/136256391.db2.gz UUFCHSNZIHBOSH-SECBINFHSA-N 0 3 239.323 0.169 20 0 BCADHN CC[C@H]1[C@H](C)CCN1CCS(=O)(=O)N(C)C ZINC000351835027 136256566 /nfs/dbraw/zinc/25/65/66/136256566.db2.gz VZADNZOQAXCEIW-MNOVXSKESA-N 0 3 248.392 0.998 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@@H](C)[C@H]1CCCO1 ZINC000602712007 349704011 /nfs/dbraw/zinc/70/40/11/349704011.db2.gz WMLQAVIRXYSGIN-UKKRHICBSA-N 0 3 243.303 0.474 20 0 BCADHN C[C@H]1CN(CCCCF)CCN1CCO ZINC000351816393 136255327 /nfs/dbraw/zinc/25/53/27/136255327.db2.gz QQPYDWNZIKXGLB-NSHDSACASA-N 0 3 218.316 0.735 20 0 BCADHN CCOCCCNC(=O)N(C)CCN(C)C ZINC000176137347 346905983 /nfs/dbraw/zinc/90/59/83/346905983.db2.gz FNUDYYZCBZAOAS-UHFFFAOYSA-N 0 3 231.340 0.616 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@]1(C)CCOC1 ZINC000354162313 187210695 /nfs/dbraw/zinc/21/06/95/187210695.db2.gz INFIPGRDIQZIHP-LBPRGKRZSA-N 0 3 228.336 0.869 20 0 BCADHN COC[C@@H](O)CN1CCC[C@@H](OC)C1 ZINC000182216301 536733216 /nfs/dbraw/zinc/73/32/16/536733216.db2.gz CEOFTDLJVYDPJB-VHSXEESVSA-N 0 3 203.282 0.105 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000351848035 136257268 /nfs/dbraw/zinc/25/72/68/136257268.db2.gz AGHILNTWGGEIKP-ZJUUUORDSA-N 0 3 214.309 0.166 20 0 BCADHN CC(=O)Nc1ccc(CNC(=O)C2(N)CC2)cc1 ZINC000083376936 259338203 /nfs/dbraw/zinc/33/82/03/259338203.db2.gz DJSGPDCXDPBQPZ-UHFFFAOYSA-N 0 3 247.298 0.753 20 0 BCADHN CC(C)C[C@H](C)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000355903857 187212923 /nfs/dbraw/zinc/21/29/23/187212923.db2.gz HFHIZVXLMPREAL-HBNTYKKESA-N 0 3 228.336 0.996 20 0 BCADHN COc1cc(CNCCO)cc(OC)c1O ZINC000020305902 342981056 /nfs/dbraw/zinc/98/10/56/342981056.db2.gz OIWAVRHFALITRI-UHFFFAOYSA-N 0 3 227.260 0.491 20 0 BCADHN CC(C)C(=O)NCCNCc1cccn1C ZINC000020360456 342983576 /nfs/dbraw/zinc/98/35/76/342983576.db2.gz KDOFAEGFCQHFKH-UHFFFAOYSA-N 0 3 223.320 0.887 20 0 BCADHN Cc1ccc(F)cc1NC(=O)[C@H]1C[C@@H](O)CN1 ZINC000020434357 342985019 /nfs/dbraw/zinc/98/50/19/342985019.db2.gz AYQGQXKFVLGZOV-MWLCHTKSSA-N 0 3 238.262 0.795 20 0 BCADHN CN(C)CCn1cc(C(=O)N2CCCC2)cn1 ZINC000605448965 344021863 /nfs/dbraw/zinc/02/18/63/344021863.db2.gz DBAVOEXLGMBYKN-UHFFFAOYSA-N 0 3 236.319 0.681 20 0 BCADHN CCN(C#N)CCNC1(C(N)=O)CCCCC1 ZINC000602793329 349735972 /nfs/dbraw/zinc/73/59/72/349735972.db2.gz QCTFKPZWMYWVCP-UHFFFAOYSA-N 0 3 238.335 0.567 20 0 BCADHN CCN(C#N)CCN(C)C[C@@H]1CCC[C@@H]1O ZINC000602795964 349737585 /nfs/dbraw/zinc/73/75/85/349737585.db2.gz PJWTYYKIIUYQDN-RYUDHWBXSA-N 0 3 225.336 0.882 20 0 BCADHN CCN(C#N)CCNC1(CO)CCCC1 ZINC000602796583 349737961 /nfs/dbraw/zinc/73/79/61/349737961.db2.gz QWMWPVVEUWEKFV-UHFFFAOYSA-N 0 3 211.309 0.684 20 0 BCADHN CCN1CCC(n2ncc3n[nH]cc3c2=O)CC1 ZINC000634602396 342997302 /nfs/dbraw/zinc/99/73/02/342997302.db2.gz OWMLSZKEKXNWKL-UHFFFAOYSA-N 0 3 247.302 0.776 20 0 BCADHN COCCn1cnnc1SC[C@H](C)N(C)C ZINC000358854551 187215785 /nfs/dbraw/zinc/21/57/85/187215785.db2.gz OWBFJJDRFLMGPQ-VIFPVBQESA-N 0 3 244.364 0.967 20 0 BCADHN CCN(C#N)CCN1C[C@@H](C)N(C)C[C@H]1C ZINC000602798506 349740095 /nfs/dbraw/zinc/74/00/95/349740095.db2.gz OPBFMESHWQKCSN-VXGBXAGGSA-N 0 3 224.352 0.814 20 0 BCADHN CCN(C#N)CCN[C@H](CO)C(C)(C)C ZINC000602803975 349742566 /nfs/dbraw/zinc/74/25/66/349742566.db2.gz CQBHVLAMLQMIHF-SNVBAGLBSA-N 0 3 213.325 0.786 20 0 BCADHN CC(C)=CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000359359169 187216725 /nfs/dbraw/zinc/21/67/25/187216725.db2.gz HYUVMSFHQLWVTP-LBPRGKRZSA-N 0 3 241.335 0.318 20 0 BCADHN Cc1ncc(CN2C[C@@H](O)C[C@@H]2C)n1C ZINC000668045637 488194237 /nfs/dbraw/zinc/19/42/37/488194237.db2.gz WOTKIMNKSSSAMT-KWQFWETISA-N 0 3 209.293 0.684 20 0 BCADHN CC[C@H](C(=O)NCCOC(N)=O)N(CC)CC ZINC000494638866 529606731 /nfs/dbraw/zinc/60/67/31/529606731.db2.gz BITFBCDIZLDENY-SECBINFHSA-N 0 3 245.323 0.732 20 0 BCADHN CCN(C#N)CCN[C@@H](COC)[C@@H]1CCCO1 ZINC000602823033 349762889 /nfs/dbraw/zinc/76/28/89/349762889.db2.gz UKOQCKLPAXGWGO-RYUDHWBXSA-N 0 3 241.335 0.573 20 0 BCADHN COC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000050460283 343021964 /nfs/dbraw/zinc/02/19/64/343021964.db2.gz DSBFNFJOUOXLAO-ZJUUUORDSA-N 0 3 234.255 0.759 20 0 BCADHN CCN(C#N)CCN1CCC[C@@H](C(=O)NC)C1 ZINC000602784035 349748513 /nfs/dbraw/zinc/74/85/13/349748513.db2.gz KZSJHTYMDRWXEK-LLVKDONJSA-N 0 3 238.335 0.247 20 0 BCADHN C[C@H](c1ccncc1)N(C)C(=O)[C@@H]1C[C@@H]1N ZINC000050463323 343022311 /nfs/dbraw/zinc/02/23/11/343022311.db2.gz SBWHVYVAGDEPFA-IEBDPFPHSA-N 0 3 219.288 0.948 20 0 BCADHN CN(CCNC(=O)[C@@H]1C[C@@H]1N)c1ccccc1 ZINC000050461390 343022326 /nfs/dbraw/zinc/02/23/26/343022326.db2.gz BILHGTBKPRBIJR-NEPJUHHUSA-N 0 3 233.315 0.586 20 0 BCADHN CN(C)CCNC(=O)CC[C@@H]1CCCO1 ZINC000046116519 343025629 /nfs/dbraw/zinc/02/56/29/343025629.db2.gz PVQZENNMHSXXDE-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CCN(C#N)CCN[C@H]1CCCC[C@H]1C(N)=O ZINC000602808165 349753336 /nfs/dbraw/zinc/75/33/36/349753336.db2.gz CVAOODDVOJSCQT-MNOVXSKESA-N 0 3 238.335 0.423 20 0 BCADHN CCOC(=O)[C@@H](C)[C@H](C)NCC(C)=O ZINC000602809452 349753581 /nfs/dbraw/zinc/75/35/81/349753581.db2.gz IOEFSTHWQCEHIN-IUCAKERBSA-N 0 3 201.266 0.753 20 0 BCADHN CCN(C#N)CCN(C)CC1(O)CCOCC1 ZINC000602814154 349756585 /nfs/dbraw/zinc/75/65/85/349756585.db2.gz JSKUJOLEPORARN-UHFFFAOYSA-N 0 3 241.335 0.263 20 0 BCADHN CCN(C#N)CCN1CC[C@](O)(CC)C1 ZINC000602813258 349756597 /nfs/dbraw/zinc/75/65/97/349756597.db2.gz VZDYGPSUUMOUDG-LLVKDONJSA-N 0 3 211.309 0.636 20 0 BCADHN C[C@H](N[C@@H]1COC[C@@H]1O)c1ccc2n[nH]cc2c1 ZINC000361388012 187218466 /nfs/dbraw/zinc/21/84/66/187218466.db2.gz COKXSKLCIDBDBO-CKLFPEKLSA-N 0 3 247.298 0.973 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2COC[C@H]21 ZINC000367417460 187220960 /nfs/dbraw/zinc/22/09/60/187220960.db2.gz GQABIHHFGRLAAJ-RTCCRHLQSA-N 0 3 226.320 0.335 20 0 BCADHN CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)[N-]C1=NCCS1 ZINC000368104306 187221364 /nfs/dbraw/zinc/22/13/64/187221364.db2.gz DROBGEQQQSUXKM-IUCAKERBSA-N 0 3 241.360 0.840 20 0 BCADHN CC[C@H]1[C@@H](CO)CCN1CCN(C#N)CC ZINC000602836683 349776203 /nfs/dbraw/zinc/77/62/03/349776203.db2.gz QTLPBTAUOLMJIU-NEPJUHHUSA-N 0 3 225.336 0.882 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCCOc1ccccc1 ZINC000052091949 343029078 /nfs/dbraw/zinc/02/90/78/343029078.db2.gz IQAPHJOGCDUVMJ-NWDGAFQWSA-N 0 3 234.299 0.919 20 0 BCADHN CC(C)[C@@H](O)CN1CCO[C@]2(CCOC2)C1 ZINC000368640362 187221617 /nfs/dbraw/zinc/22/16/17/187221617.db2.gz CRRXSFXWBZQJTB-NWDGAFQWSA-N 0 3 229.320 0.495 20 0 BCADHN CCN(C#N)CCN(C)C1(CO)CCC1 ZINC000602841851 349780133 /nfs/dbraw/zinc/78/01/33/349780133.db2.gz SPGOOWBNNBQONS-UHFFFAOYSA-N 0 3 211.309 0.636 20 0 BCADHN CCN(C#N)CCN1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000602843406 349781733 /nfs/dbraw/zinc/78/17/33/349781733.db2.gz HZLPRFQHWCMZEC-XQQFMLRXSA-N 0 3 237.347 0.882 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000372972122 187223291 /nfs/dbraw/zinc/22/32/91/187223291.db2.gz BQTQTOGKESCJNJ-KOLCDFICSA-N 0 3 236.319 0.367 20 0 BCADHN CCN(C#N)CCNC(C)(C)CC(N)=O ZINC000602807613 349770705 /nfs/dbraw/zinc/77/07/05/349770705.db2.gz ICHXIUYDCYSDGC-UHFFFAOYSA-N 0 3 212.297 0.033 20 0 BCADHN CC(C)[C@H](O)CN1CCOC2(CCOCC2)C1 ZINC000374087128 187223489 /nfs/dbraw/zinc/22/34/89/187223489.db2.gz APBRGZARNUCMKK-GFCCVEGCSA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H](C)CCO)N(C)C ZINC000121109273 187223538 /nfs/dbraw/zinc/22/35/38/187223538.db2.gz HBOZHDZGFJHXET-VHSXEESVSA-N 0 3 216.325 0.460 20 0 BCADHN C[C@H]1C[C@@H](Nc2nnnn2C)CN1C1CC1 ZINC000309517887 259343454 /nfs/dbraw/zinc/34/34/54/259343454.db2.gz ZESSLYIVPWSFEH-JGVFFNPUSA-N 0 3 222.296 0.247 20 0 BCADHN CC[C@@H](C(=O)N1CC([C@H]2CCOC2)C1)N(C)C ZINC000377413026 187226237 /nfs/dbraw/zinc/22/62/37/187226237.db2.gz PFAVPMRVYQJDLD-JQWIXIFHSA-N 0 3 240.347 0.822 20 0 BCADHN COC[C@H](O)CN1CC(COC)(C2CC2)C1 ZINC000634652457 343062755 /nfs/dbraw/zinc/06/27/55/343062755.db2.gz RIUFXEBQGDRPDX-LLVKDONJSA-N 0 3 229.320 0.352 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)CCOC ZINC000038101275 343064712 /nfs/dbraw/zinc/06/47/12/343064712.db2.gz YEGPJRYNUCKDEZ-BDAKNGLRSA-N 0 3 202.298 0.465 20 0 BCADHN CCc1nncn1CCNCc1cnc(C)n1C ZINC000576837621 365700634 /nfs/dbraw/zinc/70/06/34/365700634.db2.gz JBUYMPUUPLUNAF-UHFFFAOYSA-N 0 3 248.334 0.672 20 0 BCADHN Nc1ccc2c(c1)CC[C@H]2NC(=O)[C@H]1C[C@H]1N ZINC000576838150 365700885 /nfs/dbraw/zinc/70/08/85/365700885.db2.gz HMGDIUZATLPSCS-QJPTWQEYSA-N 0 3 231.299 0.720 20 0 BCADHN CCOC(=O)[C@@H](NC(=O)[C@@H](C)N)[C@@H](C)CC ZINC000119228769 343070056 /nfs/dbraw/zinc/07/00/56/343070056.db2.gz CMJGJMUQICJXLK-YIZRAAEISA-N 0 3 230.308 0.428 20 0 BCADHN CN(CCN1CCCC1=O)[C@@H]1CCCC[C@@H]1O ZINC000119279311 343070551 /nfs/dbraw/zinc/07/05/51/343070551.db2.gz QEWUPNJXAIZISP-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN COCCOC[C@H](C)NCc1cnc(C)n1C ZINC000576838981 365702388 /nfs/dbraw/zinc/70/23/88/365702388.db2.gz VOHADXOEHXCDJI-JTQLQIEISA-N 0 3 241.335 0.870 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCO[C@H](C)C1 ZINC000562872417 323032611 /nfs/dbraw/zinc/03/26/11/323032611.db2.gz AKOHCTRSXJDJJX-AXFHLTTASA-N 0 3 228.336 0.868 20 0 BCADHN CSC[C@H](O)CN(CC(N)=O)CC(C)C ZINC000187737566 259345823 /nfs/dbraw/zinc/34/58/23/259345823.db2.gz OIKQIXBBCYZNAX-SECBINFHSA-N 0 3 234.365 0.154 20 0 BCADHN [NH3+]C[C@@H](NC(=O)c1c[n-]nn1)C1CCCC1 ZINC000236253371 343088532 /nfs/dbraw/zinc/08/85/32/343088532.db2.gz KDVAYQFWYKNJHS-MRVPVSSYSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+]C[C@@H](NC(=O)c1cnn[n-]1)C1CCCC1 ZINC000236253371 343088533 /nfs/dbraw/zinc/08/85/33/343088533.db2.gz KDVAYQFWYKNJHS-MRVPVSSYSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+]C[C@@H](NC(=O)c1cn[n-]n1)C1CCCC1 ZINC000236253371 343088535 /nfs/dbraw/zinc/08/85/35/343088535.db2.gz KDVAYQFWYKNJHS-MRVPVSSYSA-N 0 3 223.280 0.052 20 0 BCADHN CC(C)(N)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000040923916 187231242 /nfs/dbraw/zinc/23/12/42/187231242.db2.gz VIFSFLIZBGFPRA-VIFPVBQESA-N 0 3 236.319 0.853 20 0 BCADHN CNC(=O)Cn1cc(CNC2CCCC2)nn1 ZINC000640792829 362044810 /nfs/dbraw/zinc/04/48/10/362044810.db2.gz YYEMSFFDEXULLA-UHFFFAOYSA-N 0 3 237.307 0.056 20 0 BCADHN CNC(=O)Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000640792816 362045189 /nfs/dbraw/zinc/04/51/89/362045189.db2.gz YLUWUVKBCIKYCB-SECBINFHSA-N 0 3 225.296 0.070 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCCO1)N(C)C ZINC000046274621 343106842 /nfs/dbraw/zinc/10/68/42/343106842.db2.gz URKIBTQYUCFROH-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CC(C)C[C@H](CCO)CNC(=O)CNC1CC1 ZINC000236749707 343109990 /nfs/dbraw/zinc/10/99/90/343109990.db2.gz BSBOFKVJGCHBNI-NSHDSACASA-N 0 3 242.363 0.899 20 0 BCADHN CC[C@H](N)c1cn(CC(=O)c2cccn2C)nn1 ZINC000640844897 362062863 /nfs/dbraw/zinc/06/28/63/362062863.db2.gz MMSNXIIEBLHLTK-VIFPVBQESA-N 0 3 247.302 0.909 20 0 BCADHN CC(C)=CCn1cc(Cn2cc(CN)cn2)nn1 ZINC000640846277 362066244 /nfs/dbraw/zinc/06/62/44/362066244.db2.gz NSHYKEVENYIWLU-UHFFFAOYSA-N 0 3 246.318 0.948 20 0 BCADHN CN(C)CCc1cn(CC2CCOCC2)nn1 ZINC000640952493 362096345 /nfs/dbraw/zinc/09/63/45/362096345.db2.gz BOIGPOMAAAJIFB-UHFFFAOYSA-N 0 3 238.335 0.809 20 0 BCADHN CN(CCNC[C@@H](O)C(F)(F)F)C1CC1 ZINC000082681159 362100107 /nfs/dbraw/zinc/10/01/07/362100107.db2.gz LFFGOKRQBFJJKD-MRVPVSSYSA-N 0 3 226.242 0.593 20 0 BCADHN CCO[C@@H](CC)C(=O)NCCNCCOC ZINC000237042308 343121788 /nfs/dbraw/zinc/12/17/88/343121788.db2.gz FZPNSJFUBVVHMC-JTQLQIEISA-N 0 3 232.324 0.154 20 0 BCADHN CC(C)(N)C(=O)NCc1ccccc1CO ZINC000236799418 343111328 /nfs/dbraw/zinc/11/13/28/343111328.db2.gz OMABYGNEEGVISR-UHFFFAOYSA-N 0 3 222.288 0.532 20 0 BCADHN OCCCN(CCO)C[C@@H](O)c1ccccc1 ZINC000264701942 187234997 /nfs/dbraw/zinc/23/49/97/187234997.db2.gz IRRQKBIIBYFYIZ-CYBMUJFWSA-N 0 3 239.315 0.397 20 0 BCADHN CNCC(=O)NCCCOCC(F)(F)F ZINC000237222669 343131659 /nfs/dbraw/zinc/13/16/59/343131659.db2.gz BRTNEVNRICKJHZ-UHFFFAOYSA-N 0 3 228.214 0.291 20 0 BCADHN COc1ccc([O-])c(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000050228180 343137999 /nfs/dbraw/zinc/13/79/99/343137999.db2.gz JIKTWDGVEINFSG-MRVPVSSYSA-N 0 3 236.271 0.574 20 0 BCADHN CSC[C@@H](C)NC(=O)CNC(C)C ZINC000127613778 343178335 /nfs/dbraw/zinc/17/83/35/343178335.db2.gz HEGLPQVMDAHWLK-MRVPVSSYSA-N 0 3 204.339 0.852 20 0 BCADHN O[C@H](CNCc1ccoc1)Cn1cccn1 ZINC000130655680 343182201 /nfs/dbraw/zinc/18/22/01/343182201.db2.gz IDMYXJAHPDSUDI-LLVKDONJSA-N 0 3 221.260 0.627 20 0 BCADHN CCN1CCCN(CC(=O)OC)CC1 ZINC000039100633 343155680 /nfs/dbraw/zinc/15/56/80/343155680.db2.gz JDFGJEVAEAHLKY-UHFFFAOYSA-N 0 3 200.282 0.187 20 0 BCADHN COC[C@@H](NCc1n[nH]c(C)n1)C(C)C ZINC000129835550 343185047 /nfs/dbraw/zinc/18/50/47/343185047.db2.gz UXJWUTDCRJXJQS-SECBINFHSA-N 0 3 212.297 0.874 20 0 BCADHN CN1CCN(C(=O)c2ccccc2[O-])[C@@H](C[NH3+])C1 ZINC000122586702 343159981 /nfs/dbraw/zinc/15/99/81/343159981.db2.gz JDHKFLPWRXZHOU-JTQLQIEISA-N 0 3 249.314 0.107 20 0 BCADHN NC(=O)NC(=O)CN[C@@H](c1ccccc1)C1CC1 ZINC000192509889 365733112 /nfs/dbraw/zinc/73/31/12/365733112.db2.gz DPLQLDOXJZLPEP-LBPRGKRZSA-N 0 3 247.298 0.922 20 0 BCADHN COCCN(CCO)C[C@H]1CCCC[C@@H]1O ZINC000124096146 343167037 /nfs/dbraw/zinc/16/70/37/343167037.db2.gz PJBKUWZMFQZRTG-NEPJUHHUSA-N 0 3 231.336 0.478 20 0 BCADHN COCCN(CCO)C[C@@H]1CCCC[C@@H]1O ZINC000124095869 343167210 /nfs/dbraw/zinc/16/72/10/343167210.db2.gz PJBKUWZMFQZRTG-RYUDHWBXSA-N 0 3 231.336 0.478 20 0 BCADHN CN[C@@H](C)C(=O)NCCC(=O)N1CCCCC1 ZINC000124132908 343167385 /nfs/dbraw/zinc/16/73/85/343167385.db2.gz CLXFDSSDZADQTF-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CCN1CCN(CCc2cn(C)nn2)C[C@@H]1C ZINC000625270059 343168426 /nfs/dbraw/zinc/16/84/26/343168426.db2.gz PWXQBRRHNRCUTR-NSHDSACASA-N 0 3 237.351 0.384 20 0 BCADHN CCn1ccnc1CNCCCn1ccnn1 ZINC000126463515 343170188 /nfs/dbraw/zinc/17/01/88/343170188.db2.gz WXQJFFQRZXYIDG-UHFFFAOYSA-N 0 3 234.307 0.674 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCCCn1ccnn1 ZINC000127119387 343171844 /nfs/dbraw/zinc/17/18/44/343171844.db2.gz NBOSWJBVBHMARK-SECBINFHSA-N 0 3 239.323 0.158 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCCn1ccnn1 ZINC000127113903 343172253 /nfs/dbraw/zinc/17/22/53/343172253.db2.gz IXOGKTXDHKMXNF-LLVKDONJSA-N 0 3 239.323 0.302 20 0 BCADHN Cn1ncnc1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000127299764 343172386 /nfs/dbraw/zinc/17/23/86/343172386.db2.gz CBFGGXFPKIBCRH-JTQLQIEISA-N 0 3 245.286 0.324 20 0 BCADHN COC(C)(C)CNC(=O)CNC1CC1 ZINC000133642870 343185610 /nfs/dbraw/zinc/18/56/10/343185610.db2.gz AQLLMYYRBNPIAI-UHFFFAOYSA-N 0 3 200.282 0.280 20 0 BCADHN CO[C@@H](C)C(=O)N(C)C[C@H]1CCCN1C ZINC000227943487 536856580 /nfs/dbraw/zinc/85/65/80/536856580.db2.gz FAUGYALYJCCCBQ-VHSXEESVSA-N 0 3 214.309 0.574 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N[C@H]1C[C@H](O)C1(C)C ZINC000129304267 343176789 /nfs/dbraw/zinc/17/67/89/343176789.db2.gz PUINFPOQIOBCLE-DCAQKATOSA-N 0 3 242.363 0.992 20 0 BCADHN C[C@H](C(=O)NC(C)(C)C)N1CCC[C@@H](CO)C1 ZINC000016337999 136275131 /nfs/dbraw/zinc/27/51/31/136275131.db2.gz LQEIURVJDLYTGU-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)CNC(=O)CN[C@@H]1C[C@H](O)C1(C)C ZINC000163443419 343206873 /nfs/dbraw/zinc/20/68/73/343206873.db2.gz MXAQEWQUQRIKKY-ZJUUUORDSA-N 0 3 228.336 0.508 20 0 BCADHN C[C@@H](NC(=O)N1CCCN(C)CC1)C(F)F ZINC000641011677 362126686 /nfs/dbraw/zinc/12/66/86/362126686.db2.gz HTGIUEYVTDJVBP-MRVPVSSYSA-N 0 3 235.278 0.987 20 0 BCADHN O=C(CNC1CC1)NCc1nc2ccccc2[nH]1 ZINC000237873027 343214551 /nfs/dbraw/zinc/21/45/51/343214551.db2.gz GZVSAFQCYZUMBX-UHFFFAOYSA-N 0 3 244.298 0.931 20 0 BCADHN Cc1ncccc1CNCCN1CCOCC1 ZINC000310022820 343215096 /nfs/dbraw/zinc/21/50/96/343215096.db2.gz RJAVEEIRONFZIX-UHFFFAOYSA-N 0 3 235.331 0.812 20 0 BCADHN C[C@@H](N[C@H]1CCOC1(C)C)C(=O)NC1CC1 ZINC000332730835 343216350 /nfs/dbraw/zinc/21/63/50/343216350.db2.gz JZYPSAMPNIQSDC-SCZZXKLOSA-N 0 3 226.320 0.811 20 0 BCADHN C[C@H]1CN(CCOC2CCOCC2)C[C@@H]1O ZINC000625282492 343219694 /nfs/dbraw/zinc/21/96/94/343219694.db2.gz OLIGOODUWUAUSK-JQWIXIFHSA-N 0 3 229.320 0.495 20 0 BCADHN C[C@@H]1[C@@H](C)N(CCc2cn(C)nn2)CCN1C ZINC000625287096 343220959 /nfs/dbraw/zinc/22/09/59/343220959.db2.gz JNUJHXCMYSHRGJ-GHMZBOCLSA-N 0 3 237.351 0.382 20 0 BCADHN Cc1csc(CNCCc2nc[nH]n2)n1 ZINC000133288152 343190286 /nfs/dbraw/zinc/19/02/86/343190286.db2.gz OHMWPGRSUXACHJ-UHFFFAOYSA-N 0 3 223.305 0.902 20 0 BCADHN Cc1cncc(C(=O)NC[C@H]2CNCCO2)c1 ZINC000134254562 343193821 /nfs/dbraw/zinc/19/38/21/343193821.db2.gz COQHYVHCRPQPGP-LLVKDONJSA-N 0 3 235.287 0.108 20 0 BCADHN COC1CC(C(=O)N[C@H]2CCCN(C)C2)C1 ZINC000625295691 343223992 /nfs/dbraw/zinc/22/39/92/343223992.db2.gz CSCMGCKWTFGGJI-YVNMAJEFSA-N 0 3 226.320 0.622 20 0 BCADHN CCOC[C@@H](O)CN(CC)CCOC ZINC000068950608 343254363 /nfs/dbraw/zinc/25/43/63/343254363.db2.gz UMLBMPJINICJEH-JTQLQIEISA-N 0 3 205.298 0.352 20 0 BCADHN CCO[C@H](CNC1(C(N)=O)CC1)C1CC1 ZINC000625313407 343231131 /nfs/dbraw/zinc/23/11/31/343231131.db2.gz JEMIANXHMUZCKW-SECBINFHSA-N 0 3 212.293 0.409 20 0 BCADHN C[C@@H](NC[C@@H](O)CC1(O)CCC1)c1cn[nH]c1 ZINC000625325156 343232989 /nfs/dbraw/zinc/23/29/89/343232989.db2.gz IZILRZNGFXBKCW-KOLCDFICSA-N 0 3 239.319 0.726 20 0 BCADHN COc1cncc(CN[C@H](C)[C@@H](C)CO)n1 ZINC000625325381 343233154 /nfs/dbraw/zinc/23/31/54/343233154.db2.gz IEXBTBIVAHGRNT-DTWKUNHWSA-N 0 3 225.292 0.592 20 0 BCADHN COc1cncc(CN[C@H](C)[C@H]2CCOC2)n1 ZINC000625326551 343233452 /nfs/dbraw/zinc/23/34/52/343233452.db2.gz QRLXUDCIILCSFE-ZJUUUORDSA-N 0 3 237.303 1.000 20 0 BCADHN O=C(NCCNCc1ccc(CO)cc1)C1CC1 ZINC000160728734 362143607 /nfs/dbraw/zinc/14/36/07/362143607.db2.gz LNDYHSUIFGQCAV-UHFFFAOYSA-N 0 3 248.326 0.795 20 0 BCADHN CCOC[C@@H](O)CNCc1cccnc1 ZINC000068950923 343254687 /nfs/dbraw/zinc/25/46/87/343254687.db2.gz KJBWMLNBPICRQL-NSHDSACASA-N 0 3 210.277 0.569 20 0 BCADHN C[C@@H](c1cccnc1)n1cc(CN)nn1 ZINC000641021077 362134614 /nfs/dbraw/zinc/13/46/14/362134614.db2.gz IQFOYUJJTXJMOD-QMMMGPOBSA-N 0 3 203.249 0.741 20 0 BCADHN CCOC[C@@H](O)CN(CCOC)C1CC1 ZINC000068950644 343254985 /nfs/dbraw/zinc/25/49/85/343254985.db2.gz SOALBJJNQZGBRV-NSHDSACASA-N 0 3 217.309 0.495 20 0 BCADHN CN(C[C@H]1CCCCO1)C[C@@H]1CNCCO1 ZINC000043802669 488208515 /nfs/dbraw/zinc/20/85/15/488208515.db2.gz FSKFQXVLMVMAEA-NEPJUHHUSA-N 0 3 228.336 0.476 20 0 BCADHN C[C@@H]1CC[C@@H](CN2CC[C@@H](F)[C@H](N)C2)O1 ZINC000634688505 343248118 /nfs/dbraw/zinc/24/81/18/343248118.db2.gz UYZJLMXDHRAYQW-LMLFDSFASA-N 0 3 216.300 0.925 20 0 BCADHN C[C@H]1CCN(CCc2cn(C)nn2)[C@@H]1CO ZINC000625358826 343248465 /nfs/dbraw/zinc/24/84/65/343248465.db2.gz QBPAZHGWRPFHIW-GXSJLCMTSA-N 0 3 224.308 0.060 20 0 BCADHN CO[C@@H]1CN(CCc2cn(C)nn2)CC[C@@H]1C ZINC000625358801 343248512 /nfs/dbraw/zinc/24/85/12/343248512.db2.gz DHDOPYIFKHVPNX-CMPLNLGQSA-N 0 3 238.335 0.714 20 0 BCADHN CC[C@@H](C(N)=O)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000641022295 362139553 /nfs/dbraw/zinc/13/95/53/362139553.db2.gz WBGLBGMBHAMMJP-IUCAKERBSA-N 0 3 239.323 0.760 20 0 BCADHN COC[C@H](O)CNCc1ccc(C)nc1 ZINC000068892046 343251788 /nfs/dbraw/zinc/25/17/88/343251788.db2.gz ZMCSYUKHCVEGLV-LLVKDONJSA-N 0 3 210.277 0.487 20 0 BCADHN C[C@H](N)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000019677118 343251836 /nfs/dbraw/zinc/25/18/36/343251836.db2.gz 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/nfs/dbraw/zinc/37/20/97/136372097.db2.gz QRDDPPIRUAOXKM-MCIGGMRASA-N 0 3 229.320 0.683 20 0 BCADHN CNC(=O)[C@@H]1CCCN(Cc2ccnc(N)c2)C1 ZINC000189571368 136372404 /nfs/dbraw/zinc/37/24/04/136372404.db2.gz HBBIUQCMYIBZFZ-LLVKDONJSA-N 0 3 248.330 0.622 20 0 BCADHN C[C@@H](Cn1cccn1)N[C@@H]1CCCCNC1=O ZINC000042540497 343442368 /nfs/dbraw/zinc/44/23/68/343442368.db2.gz GQECWIPKCRHARI-WDEREUQCSA-N 0 3 236.319 0.530 20 0 BCADHN C[C@H](NCCn1cccn1)C(=O)NC1CC1 ZINC000042540925 343442380 /nfs/dbraw/zinc/44/23/80/343442380.db2.gz OAUJUCSGVQQQBI-VIFPVBQESA-N 0 3 222.292 0.140 20 0 BCADHN C[C@@H](Cn1cccn1)N[C@@H](C)C(=O)NC1CC1 ZINC000042540255 343442476 /nfs/dbraw/zinc/44/24/76/343442476.db2.gz MEOIPQKREMXUNN-UWVGGRQHSA-N 0 3 236.319 0.528 20 0 BCADHN COCCN1CCC[C@H]1C(=O)N(C)C ZINC000247978669 136373414 /nfs/dbraw/zinc/37/34/14/136373414.db2.gz IZFAOTOWZSFQED-VIFPVBQESA-N 0 3 200.282 0.185 20 0 BCADHN CSC1CCN(CCN2CCNC2=O)CC1 ZINC000602918590 349809539 /nfs/dbraw/zinc/80/95/39/349809539.db2.gz 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C[C@@H](CNC(=O)C(C)(C)n1cccn1)N(C)C ZINC000616487178 343473011 /nfs/dbraw/zinc/47/30/11/343473011.db2.gz RKBUUHUSUMDKLY-JTQLQIEISA-N 0 3 238.335 0.685 20 0 BCADHN CCc1cnc(CNC(=O)[C@@H](C)N)s1 ZINC000083889323 343505693 /nfs/dbraw/zinc/50/56/93/343505693.db2.gz BMVJAEFHYYUTQC-ZCFIWIBFSA-N 0 3 213.306 0.669 20 0 BCADHN CNCC(=O)N1CCc2cc(F)ccc2C1 ZINC000083886290 343505821 /nfs/dbraw/zinc/50/58/21/343505821.db2.gz CBCRFKVRSUTCHU-UHFFFAOYSA-N 0 3 222.263 0.930 20 0 BCADHN Cc1ccc2[nH]c(CNC(=O)CN)nc2c1 ZINC000083909475 343508928 /nfs/dbraw/zinc/50/89/28/343508928.db2.gz SCHTWNKFPPTOKU-UHFFFAOYSA-N 0 3 218.260 0.446 20 0 BCADHN Cc1ccc2nc(CNC(=O)CN)[nH]c2c1 ZINC000083909475 343508932 /nfs/dbraw/zinc/50/89/32/343508932.db2.gz SCHTWNKFPPTOKU-UHFFFAOYSA-N 0 3 218.260 0.446 20 0 BCADHN Cc1nc(C)c(CCNC(=O)CN)s1 ZINC000083904952 343509209 /nfs/dbraw/zinc/50/92/09/343509209.db2.gz VJCOOOHNOGILFE-UHFFFAOYSA-N 0 3 213.306 0.377 20 0 BCADHN CCN(C#N)CCN[C@H]1C[C@@H](O)C12CCC2 ZINC000602898804 349814980 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ZINC000624230937 343564537 /nfs/dbraw/zinc/56/45/37/343564537.db2.gz LHOOISYRBNQLKC-MWLCHTKSSA-N 0 3 224.308 0.127 20 0 BCADHN c1nc2ncnc(NCCN3CCCC3)c2[nH]1 ZINC000047852581 343567200 /nfs/dbraw/zinc/56/72/00/343567200.db2.gz UXHXSHGFHHQAPO-UHFFFAOYSA-N 0 3 232.291 0.861 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@@H](C)NC1CC1 ZINC000379977880 365773011 /nfs/dbraw/zinc/77/30/11/365773011.db2.gz TUWITBVJFLKRAL-MRVPVSSYSA-N 0 3 222.292 0.475 20 0 BCADHN CC[C@@H](O)CN(CCOC)[C@@H]1CCO[C@H]1C ZINC000683792981 488224353 /nfs/dbraw/zinc/22/43/53/488224353.db2.gz KCXSJWZSNIXDJU-QJPTWQEYSA-N 0 3 231.336 0.883 20 0 BCADHN C[C@@H](Cn1cccn1)NCC(=O)N(C)C1CC1 ZINC000049305274 343595576 /nfs/dbraw/zinc/59/55/76/343595576.db2.gz PYFBXBXADQMCMJ-JTQLQIEISA-N 0 3 236.319 0.482 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)c1nccnc1N ZINC000622729053 343580303 /nfs/dbraw/zinc/58/03/03/343580303.db2.gz QKBOZXUIWDZVSX-VIFPVBQESA-N 0 3 249.318 0.225 20 0 BCADHN CNC(=O)c1ccc(CN[C@@H]2CCN(C)C2)cc1 ZINC000042546076 187266042 /nfs/dbraw/zinc/26/60/42/187266042.db2.gz JLKWRPSWRQQUEU-CYBMUJFWSA-N 0 3 247.342 0.840 20 0 BCADHN CNC(=O)c1cccc(NC(=O)[C@H](C)NC)c1 ZINC000052395620 343599893 /nfs/dbraw/zinc/59/98/93/343599893.db2.gz XURQKRDPUCUPKR-QMMMGPOBSA-N 0 3 235.287 0.593 20 0 BCADHN Cc1ccc([O-])c(C(=O)NCCC[NH3+])c1 ZINC000019473544 537792754 /nfs/dbraw/zinc/79/27/54/537792754.db2.gz KCJYCNLJNFRMRZ-UHFFFAOYSA-N 0 3 208.261 0.779 20 0 BCADHN CC[C@@H](C)NC(=O)CN[C@@H](CO)C(C)C ZINC000086124752 343611574 /nfs/dbraw/zinc/61/15/74/343611574.db2.gz PSWPUSBRAZHWJJ-ZJUUUORDSA-N 0 3 216.325 0.508 20 0 BCADHN CCN(CC)C(=O)CN[C@H](CO)C(C)C ZINC000086124117 343611660 /nfs/dbraw/zinc/61/16/60/343611660.db2.gz JWMXEOHPBZFPIC-SNVBAGLBSA-N 0 3 216.325 0.461 20 0 BCADHN CC(C)[C@H](CO)NCC(=O)N(C)C(C)C ZINC000086124682 343611700 /nfs/dbraw/zinc/61/17/00/343611700.db2.gz WPWRKLPDDJIKII-JTQLQIEISA-N 0 3 216.325 0.460 20 0 BCADHN CC[C@@H](C)N(C)C(=O)CNCCOC ZINC000086157929 343612047 /nfs/dbraw/zinc/61/20/47/343612047.db2.gz OSQKSQZDNLUVES-SECBINFHSA-N 0 3 202.298 0.479 20 0 BCADHN CC[C@H](C)CNC(=O)CNCCOC ZINC000086158245 343612705 /nfs/dbraw/zinc/61/27/05/343612705.db2.gz ASQCUWCZGFMLLG-VIFPVBQESA-N 0 3 202.298 0.385 20 0 BCADHN COC(=O)[C@H](C)N(C)C[C@@H]1CCCN1C ZINC000086189041 343613800 /nfs/dbraw/zinc/61/38/00/343613800.db2.gz AKACMCBEIBLHKP-UWVGGRQHSA-N 0 3 214.309 0.574 20 0 BCADHN CCN1CCN(Cc2ccnc(N)c2)CC1 ZINC000052709717 343638502 /nfs/dbraw/zinc/63/85/02/343638502.db2.gz MDTPNZNQMNWFLK-UHFFFAOYSA-N 0 3 220.320 0.801 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CC[C@@H](O)C[C@H]1C ZINC000602932059 349823349 /nfs/dbraw/zinc/82/33/49/349823349.db2.gz WOCSPMPNRRNOEV-FOGDFJRCSA-N 0 3 245.319 0.146 20 0 BCADHN O=C1[N-]C(=O)[C@@]2(CCC[N@H+](CC3CCC3)C2)N1 ZINC000192678871 365788996 /nfs/dbraw/zinc/78/89/96/365788996.db2.gz YGQABNWTEAQPFG-LBPRGKRZSA-N 0 3 237.303 0.461 20 0 BCADHN O=C1[N-]C(=O)[C@@]2(CCC[N@@H+](CC3CCC3)C2)N1 ZINC000192678871 365789001 /nfs/dbraw/zinc/78/90/01/365789001.db2.gz YGQABNWTEAQPFG-LBPRGKRZSA-N 0 3 237.303 0.461 20 0 BCADHN CCOC(=O)CCN1C[C@@H](OC)C[C@]1(C)CO ZINC000602963889 349826301 /nfs/dbraw/zinc/82/63/01/349826301.db2.gz JQNNJCBSWAQXKT-CMPLNLGQSA-N 0 3 245.319 0.411 20 0 BCADHN CCC1(C)CN(C[C@H](O)CN2CCOCC2)C1 ZINC000359500204 168452140 /nfs/dbraw/zinc/45/21/40/168452140.db2.gz AZACIEAKFZHOSA-GFCCVEGCSA-N 0 3 242.363 0.411 20 0 BCADHN CN1CC[C@@H](CNC(=O)OC[C@H]2CCCO2)C1 ZINC000497003309 529793251 /nfs/dbraw/zinc/79/32/51/529793251.db2.gz ZLXBRDFWCGWPFR-WDEREUQCSA-N 0 3 242.319 0.843 20 0 BCADHN COC[C@@H](C)NC[C@H]1CCCS1(=O)=O ZINC000087970967 343676734 /nfs/dbraw/zinc/67/67/34/343676734.db2.gz SXHKCWGKRRRWKN-RKDXNWHRSA-N 0 3 221.322 0.188 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)c1cnn(C)n1 ZINC000285191241 187345208 /nfs/dbraw/zinc/34/52/08/187345208.db2.gz ISKRFPYZUOAHKF-UHFFFAOYSA-N 0 3 239.323 0.227 20 0 BCADHN CN(C)c1ccccc1CN(CCO)CCO ZINC000304310203 529794363 /nfs/dbraw/zinc/79/43/63/529794363.db2.gz LPYQVQHAYAWMJX-UHFFFAOYSA-N 0 3 238.331 0.539 20 0 BCADHN C[C@H]1[C@H](C)N(C(=O)Cc2ccn[nH]2)CCN1C ZINC000336346187 537802257 /nfs/dbraw/zinc/80/22/57/537802257.db2.gz VDBPQWJXOYHQHW-UWVGGRQHSA-N 0 3 236.319 0.503 20 0 BCADHN O=C1CCCN1CCCNCc1cn[nH]c1 ZINC000309516103 343662197 /nfs/dbraw/zinc/66/21/97/343662197.db2.gz ROGPUUXWWGVXGD-UHFFFAOYSA-N 0 3 222.292 0.512 20 0 BCADHN C[C@H]1CN(C(=O)C2(N)CCC2)CCCO1 ZINC000088051089 343698143 /nfs/dbraw/zinc/69/81/43/343698143.db2.gz NJWFGZSCFHFCNY-VIFPVBQESA-N 0 3 212.293 0.505 20 0 BCADHN CN1CC[C@H](N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1=O ZINC000300404122 529806939 /nfs/dbraw/zinc/80/69/39/529806939.db2.gz KQIFSBOHZPRRLC-UKKRHICBSA-N 0 3 238.331 0.620 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384621082 343699465 /nfs/dbraw/zinc/69/94/65/343699465.db2.gz PYVKTVJYPLYTLL-KYXWUPHJSA-N 0 3 214.309 0.652 20 0 BCADHN CN1CC[C@H](N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1=O ZINC000300404121 529807088 /nfs/dbraw/zinc/80/70/88/529807088.db2.gz KQIFSBOHZPRRLC-LMLFDSFASA-N 0 3 238.331 0.620 20 0 BCADHN C/C=C/C[C@H](CO)NC(=O)N[C@@H](C)CN(C)C ZINC000288089530 187346472 /nfs/dbraw/zinc/34/64/72/187346472.db2.gz SUMCIPAOYAOBAI-PFDYWKIBSA-N 0 3 243.351 0.563 20 0 BCADHN CN1CC[C@](O)(CNC(=O)/C=C/C2CCC2)C1 ZINC000492622950 529809277 /nfs/dbraw/zinc/80/92/77/529809277.db2.gz KQGLPEPTDGQRAH-GFUIURDCSA-N 0 3 238.331 0.526 20 0 BCADHN CSC1CCN(C(=O)[C@H](C)N)CC1 ZINC000083945393 343687343 /nfs/dbraw/zinc/68/73/43/343687343.db2.gz VHPJWMMMEJUNKD-ZETCQYMHSA-N 0 3 202.323 0.688 20 0 BCADHN c1nc2c([nH]1)CN(CCc1cn[nH]n1)CC2 ZINC000625435206 343736722 /nfs/dbraw/zinc/73/67/22/343736722.db2.gz OGCZSIDPLJXLFD-UHFFFAOYSA-N 0 3 218.264 0.129 20 0 BCADHN CN1C[C@H](CN2CCC[C@@H](O)CC2)OC1=O ZINC000496119609 529825161 /nfs/dbraw/zinc/82/51/61/529825161.db2.gz FQUCZNOFALCRFT-NXEZZACHSA-N 0 3 228.292 0.284 20 0 BCADHN CN1C[C@H](CN2C[C@H](O)C(C)(C)C2)OC1=O ZINC000495662373 529825871 /nfs/dbraw/zinc/82/58/71/529825871.db2.gz SHPWKMZCPQXRDX-BDAKNGLRSA-N 0 3 228.292 0.140 20 0 BCADHN CN1C[C@H](CN2CC[C@@H](O)C2(C)C)OC1=O ZINC000497041459 529826128 /nfs/dbraw/zinc/82/61/28/529826128.db2.gz VBUOXBRCYHYJAP-RKDXNWHRSA-N 0 3 228.292 0.282 20 0 BCADHN Cc1ccc(NC(=O)CNC2CC2)cc1C(N)=O ZINC000154374325 343715011 /nfs/dbraw/zinc/71/50/11/343715011.db2.gz GCBMJZFHXXAHPI-UHFFFAOYSA-N 0 3 247.298 0.784 20 0 BCADHN CN(CC(=O)N1CCC1)C[C@@H]1CCOC1 ZINC000494548440 529826814 /nfs/dbraw/zinc/82/68/14/529826814.db2.gz YUUIMGFYUZLWFP-JTQLQIEISA-N 0 3 212.293 0.187 20 0 BCADHN C[C@@H](O)C[C@H](C)CNC(=O)CNC1CC1 ZINC000154445710 343715650 /nfs/dbraw/zinc/71/56/50/343715650.db2.gz QDNOVLDYHXMTKJ-DTWKUNHWSA-N 0 3 214.309 0.262 20 0 BCADHN C[C@H](NCCN1CC[C@H](O)C1)c1cnn(C)c1 ZINC000624332925 343716777 /nfs/dbraw/zinc/71/67/77/343716777.db2.gz CVABRTMPMZACAI-JQWIXIFHSA-N 0 3 238.335 0.137 20 0 BCADHN CC(C)N1CC[C@@H](NCC2=CCCOC2)C1=O ZINC000127328220 343723039 /nfs/dbraw/zinc/72/30/39/343723039.db2.gz XSZAXZMBKPILSB-GFCCVEGCSA-N 0 3 238.331 0.932 20 0 BCADHN COCC(=O)N1CCN(c2ccncc2)CC1 ZINC000061509454 343725809 /nfs/dbraw/zinc/72/58/09/343725809.db2.gz JVDVRFSRBCYPCO-UHFFFAOYSA-N 0 3 235.287 0.377 20 0 BCADHN CN1C[C@@H](CN2CCCC[C@H]2CCO)OC1=O ZINC000495731537 529817052 /nfs/dbraw/zinc/81/70/52/529817052.db2.gz TYJZZNGXDDZKKY-QWRGUYRKSA-N 0 3 242.319 0.674 20 0 BCADHN CCN(C#N)CCN1CCC[C@@H](C)[C@H]1CO ZINC000602990266 349847267 /nfs/dbraw/zinc/84/72/67/349847267.db2.gz PHQBVZCCDKOCRY-VXGBXAGGSA-N 0 3 225.336 0.882 20 0 BCADHN CN1C[C@@H](CN2CCC[C@@H]2C(C)(C)O)OC1=O ZINC000496763912 529817193 /nfs/dbraw/zinc/81/71/93/529817193.db2.gz OSJJCQKPTJLSHN-VHSXEESVSA-N 0 3 242.319 0.672 20 0 BCADHN CN1C[C@@H](CN2CCC[C@@H]2CCO)OC1=O ZINC000495653322 529817349 /nfs/dbraw/zinc/81/73/49/529817349.db2.gz RCRXAHDLFZDDMT-ZJUUUORDSA-N 0 3 228.292 0.284 20 0 BCADHN CO[C@H](C)CN(C)C[C@H](O)CC1(O)CCC1 ZINC000625427402 343728222 /nfs/dbraw/zinc/72/82/22/343728222.db2.gz CIINHZQUORQFIX-GHMZBOCLSA-N 0 3 231.336 0.619 20 0 BCADHN C[C@@H](N)C(=O)NCCOCC(F)(F)F ZINC000082627844 133504053 /nfs/dbraw/zinc/50/40/53/133504053.db2.gz OFXLKXXGNHRZPV-RXMQYKEDSA-N 0 3 214.187 0.029 20 0 BCADHN CN1C[C@@H](CN2CC[C@@H](O)C2(C)C)OC1=O ZINC000497041457 529817954 /nfs/dbraw/zinc/81/79/54/529817954.db2.gz VBUOXBRCYHYJAP-DTWKUNHWSA-N 0 3 228.292 0.282 20 0 BCADHN O[C@@H](CNCc1cn[nH]c1)COCC1CC1 ZINC000309557405 343745204 /nfs/dbraw/zinc/74/52/04/343745204.db2.gz ICQVREIKRBMYJI-NSHDSACASA-N 0 3 225.292 0.287 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2cccnc2N)nn1 ZINC000641166649 362250522 /nfs/dbraw/zinc/25/05/22/362250522.db2.gz XBZYKMXYSVLWNM-GFCCVEGCSA-N 0 3 246.318 0.888 20 0 BCADHN Cc1nnc([C@@H]2CCCN(C(=O)[C@H]3CC[NH2+]3)C2)[n-]1 ZINC000584229995 343776061 /nfs/dbraw/zinc/77/60/61/343776061.db2.gz DKOVRESGMITJAJ-NXEZZACHSA-N 0 3 249.318 0.181 20 0 BCADHN CN(CC(=O)NC1CC1)C[C@@H]1CCSC1 ZINC000495073999 529832216 /nfs/dbraw/zinc/83/22/16/529832216.db2.gz KIVXGUZVUYQYRY-VIFPVBQESA-N 0 3 228.361 0.950 20 0 BCADHN Nc1nc(N)nc(N2CCC[C@H](C3CCC3)C2)n1 ZINC000624408972 343758339 /nfs/dbraw/zinc/75/83/39/343758339.db2.gz LSXSJNJKFCXMMT-VIFPVBQESA-N 0 3 248.334 0.713 20 0 BCADHN CC(C)[C@@H](C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000178732238 346964510 /nfs/dbraw/zinc/96/45/10/346964510.db2.gz GSMSHIYVWHRLDT-ZYHUDNBSSA-N 0 3 230.352 0.707 20 0 BCADHN CCC1(O)CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000584120776 343762017 /nfs/dbraw/zinc/76/20/17/343762017.db2.gz XNNXZQZPEHYIJC-LLVKDONJSA-N 0 3 240.347 0.892 20 0 BCADHN CCN(C[C@H](O)CC1(O)CCC1)[C@@H]1CCOC1 ZINC000625445056 343762152 /nfs/dbraw/zinc/76/21/52/343762152.db2.gz QNJGOCUMAPWJER-VXGBXAGGSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCN2C)CO1 ZINC000570446034 323059574 /nfs/dbraw/zinc/05/95/74/323059574.db2.gz LLYCNFLTPPAGPU-MXWKQRLJSA-N 0 3 241.335 0.557 20 0 BCADHN CN(C[C@@H](O)CC1(O)CCC1)CC(C)(C)CO ZINC000625451682 343827550 /nfs/dbraw/zinc/82/75/50/343827550.db2.gz DNUUNTWSRJTWJA-NSHDSACASA-N 0 3 245.363 0.603 20 0 BCADHN CC(C)CN1CCCN(S(C)(=O)=O)CC1 ZINC000051534598 349875504 /nfs/dbraw/zinc/87/55/04/349875504.db2.gz PYSBQAHTMRFUJT-UHFFFAOYSA-N 0 3 234.365 0.610 20 0 BCADHN CNC(=O)OC[C@H]1CCCCN1CCCCO ZINC000495637846 529892691 /nfs/dbraw/zinc/89/26/91/529892691.db2.gz FLACXLLXUTVVFW-LLVKDONJSA-N 0 3 244.335 0.969 20 0 BCADHN C[C@@H](CNC1CC(C)C1)S(C)(=O)=O ZINC000388716747 346990562 /nfs/dbraw/zinc/99/05/62/346990562.db2.gz RBCLZTTTZCHKQL-MGURRDGZSA-N 0 3 205.323 0.808 20 0 BCADHN CNC(=O)[C@H](C)CN(C)Cc1cn[nH]c1 ZINC000678298243 488238700 /nfs/dbraw/zinc/23/87/00/488238700.db2.gz MEIGPGNKDHUFDG-MRVPVSSYSA-N 0 3 210.281 0.224 20 0 BCADHN CC(C)(C)C(=O)NCCNCc1cn[nH]c1 ZINC000381044255 343883634 /nfs/dbraw/zinc/88/36/34/343883634.db2.gz FGEXTGUTRVCFDE-UHFFFAOYSA-N 0 3 224.308 0.662 20 0 BCADHN CC(C)(C)CNC(=O)CN[C@H]1C[C@H](O)C1(C)C ZINC000625459349 343862354 /nfs/dbraw/zinc/86/23/54/343862354.db2.gz USPZMGRAALMVJM-UWVGGRQHSA-N 0 3 242.363 0.898 20 0 BCADHN CCSCCn1cc(C[C@@H](N)COC)nn1 ZINC000603200583 349885851 /nfs/dbraw/zinc/88/58/51/349885851.db2.gz ZTVVAAAOLMVMSM-SECBINFHSA-N 0 3 244.364 0.547 20 0 BCADHN CC[C@H](C)C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000683911909 488243559 /nfs/dbraw/zinc/24/35/59/488243559.db2.gz DWISGTKRRWRTKJ-AAEUAGOBSA-N 0 3 242.363 0.948 20 0 BCADHN CCC[C@@H](C)N(C)C(=O)NC[C@@H]1CNCCO1 ZINC000418769028 192067152 /nfs/dbraw/zinc/06/71/52/192067152.db2.gz PFCSGPIIHSOJMV-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@H]1C[C@@H]1CN[C@@H](CO)c1ccnn1C ZINC000625467327 343871935 /nfs/dbraw/zinc/87/19/35/343871935.db2.gz WTXMNMMHTYBTNW-BBBLOLIVSA-N 0 3 209.293 0.699 20 0 BCADHN C[C@@H]1C[C@H]1CN[C@@H](CO)c1ccnn1C ZINC000625467332 343872142 /nfs/dbraw/zinc/87/21/42/343872142.db2.gz WTXMNMMHTYBTNW-UTLUCORTSA-N 0 3 209.293 0.699 20 0 BCADHN C[C@@H]1[C@@H](CO)CCCN1CCc1cn(C)nn1 ZINC000625470048 343873807 /nfs/dbraw/zinc/87/38/07/343873807.db2.gz CRMKGNRJWVDTIE-GHMZBOCLSA-N 0 3 238.335 0.450 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCCCO1 ZINC000042465944 187354708 /nfs/dbraw/zinc/35/47/08/187354708.db2.gz XBWMYHYYBNUPAB-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN CC(C)(N)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000040923621 187354933 /nfs/dbraw/zinc/35/49/33/187354933.db2.gz YCMUNSWNVOABIU-SNVBAGLBSA-N 0 3 225.336 0.420 20 0 BCADHN CN1CC[C@H](N[C@@H]2CCC[C@@]2(C)CO)C1=O ZINC000309603548 343936434 /nfs/dbraw/zinc/93/64/34/343936434.db2.gz YDWYRTQMYZPQMM-UMNHJUIQSA-N 0 3 226.320 0.358 20 0 BCADHN CO[C@]1(C)C[C@@H](N(C)C(=O)[C@@H](C)N)C1(C)C ZINC000121652256 187355190 /nfs/dbraw/zinc/35/51/90/187355190.db2.gz MAYXENGUVCNEBM-KBVBSXBZSA-N 0 3 228.336 0.996 20 0 BCADHN Cc1cnc(N2CCCN(CCO)CC2)s1 ZINC000302883439 187355230 /nfs/dbraw/zinc/35/52/30/187355230.db2.gz KYYYHDGLRYKFHR-UHFFFAOYSA-N 0 3 241.360 0.956 20 0 BCADHN C[C@@](O)(CN[C@H]1C[C@@H](CO)C1)C(F)(F)F ZINC000634725114 343945479 /nfs/dbraw/zinc/94/54/79/343945479.db2.gz HXVBUXJWAXNFKE-GJMOJQLCSA-N 0 3 227.226 0.660 20 0 BCADHN C[C@@H](CCO)N(C)CCc1cn(C)nn1 ZINC000625512851 343914372 /nfs/dbraw/zinc/91/43/72/343914372.db2.gz GPZZLXMVMYOEBU-VIFPVBQESA-N 0 3 212.297 0.060 20 0 BCADHN C[C@H](O)CN(CCc1cn(C)nn1)C1CC1 ZINC000625519667 343916632 /nfs/dbraw/zinc/91/66/32/343916632.db2.gz XNXMGDDDQIPQPT-VIFPVBQESA-N 0 3 224.308 0.203 20 0 BCADHN CC(C)[C@H](N)c1cn(CCc2cncn2C)nn1 ZINC000641173037 362252947 /nfs/dbraw/zinc/25/29/47/362252947.db2.gz IMVALRRGOMITFF-LBPRGKRZSA-N 0 3 248.334 0.910 20 0 BCADHN CC[C@@H](N)c1cn(Cc2c(C)nnn2CC)nn1 ZINC000641175206 362253175 /nfs/dbraw/zinc/25/31/75/362253175.db2.gz KJLDPNBHNQYVGH-SECBINFHSA-N 0 3 249.322 0.656 20 0 BCADHN CN(C)CCc1cn(CCC2(O)CCC2)nn1 ZINC000641176856 362253915 /nfs/dbraw/zinc/25/39/15/362253915.db2.gz MPTLASKCWIQJFH-UHFFFAOYSA-N 0 3 238.335 0.687 20 0 BCADHN Cc1nc([C@H](C)n2cc([C@@H](N)C(C)C)nn2)n[nH]1 ZINC000641177211 362254040 /nfs/dbraw/zinc/25/40/40/362254040.db2.gz CLEALGGLJHUWHN-XVKPBYJWSA-N 0 3 249.322 0.970 20 0 BCADHN CC(C)(C)CNC(=O)CN[C@@H](CO)C1CCC1 ZINC000625530451 343920228 /nfs/dbraw/zinc/92/02/28/343920228.db2.gz AOVMXIPPIZQULS-NSHDSACASA-N 0 3 242.363 0.899 20 0 BCADHN Cc1nnc([C@@H](C)n2cc(CNC3CC3)nn2)[nH]1 ZINC000641180014 362256055 /nfs/dbraw/zinc/25/60/55/362256055.db2.gz PKDZEPFZLGDXQZ-SSDOTTSWSA-N 0 3 247.306 0.566 20 0 BCADHN CC[C@@H](N)c1cn([C@H](C)c2n[nH]c(C)n2)nn1 ZINC000641177743 362256544 /nfs/dbraw/zinc/25/65/44/362256544.db2.gz KEILYAAILICEPD-HTRCEHHLSA-N 0 3 235.295 0.724 20 0 BCADHN CC[C@@H](N)c1cn(Cc2cncc(OC)n2)nn1 ZINC000641187052 362256778 /nfs/dbraw/zinc/25/67/78/362256778.db2.gz YZUQFNGDEMCVND-SECBINFHSA-N 0 3 248.290 0.535 20 0 BCADHN COC(=O)c1cc(CNCC[C@H](C)O)c[nH]1 ZINC000165591726 343935661 /nfs/dbraw/zinc/93/56/61/343935661.db2.gz JQBUMJZPCGNVAE-QMMMGPOBSA-N 0 3 226.276 0.662 20 0 BCADHN O[C@@H](CCNC[C@H](O)C(F)(F)F)C(F)F ZINC000634726584 343951843 /nfs/dbraw/zinc/95/18/43/343951843.db2.gz WLTFYLYLXAGVDZ-WHFBIAKZSA-N 0 3 237.168 0.515 20 0 BCADHN CCc1nc([C@H](C)n2cc([C@H](C)NC)nn2)n[nH]1 ZINC000641210630 362273858 /nfs/dbraw/zinc/27/38/58/362273858.db2.gz YIKMBJUMSAOLJD-YUMQZZPRSA-N 0 3 249.322 0.848 20 0 BCADHN CCc1nnc([C@H](C)n2cc([C@H](C)NC)nn2)[nH]1 ZINC000641210630 362273865 /nfs/dbraw/zinc/27/38/65/362273865.db2.gz YIKMBJUMSAOLJD-YUMQZZPRSA-N 0 3 249.322 0.848 20 0 BCADHN C[C@H](O)Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000641213989 362276236 /nfs/dbraw/zinc/27/62/36/362276236.db2.gz VZQRMKGXOQMIAJ-CBAPKCEASA-N 0 3 212.297 0.705 20 0 BCADHN CC[C@H](N)c1cn(C[C@@]2(O)CCCOC2)nn1 ZINC000641217850 362277456 /nfs/dbraw/zinc/27/74/56/362277456.db2.gz QDXFNFOFEXPTEH-ONGXEEELSA-N 0 3 240.307 0.229 20 0 BCADHN CC[C@H](NCC(CC)(CC)C(=O)OC)C(N)=O ZINC000192704911 365800402 /nfs/dbraw/zinc/80/04/02/365800402.db2.gz NFXHCDPVUDGMAZ-VIFPVBQESA-N 0 3 244.335 0.819 20 0 BCADHN CSC[C@@H](O)CN(CC(N)=O)C(C)(C)C ZINC000187947010 259371855 /nfs/dbraw/zinc/37/18/55/259371855.db2.gz KUDANSSGQJSSBI-QMMMGPOBSA-N 0 3 234.365 0.296 20 0 BCADHN CC[C@@](C)(N)c1cn(CC2(O)CCC2)nn1 ZINC000641217482 362280485 /nfs/dbraw/zinc/28/04/85/362280485.db2.gz SGZQXVNHFKGYGL-SNVBAGLBSA-N 0 3 224.308 0.777 20 0 BCADHN COC[C@@H](N)Cc1cn(CC(F)F)nn1 ZINC000641233127 362284750 /nfs/dbraw/zinc/28/47/50/362284750.db2.gz JVWPKXQYVMSBHN-LURJTMIESA-N 0 3 220.223 0.059 20 0 BCADHN CCOC(=O)C[C@H](O)CN[C@H]1COCC1(C)C ZINC000312993854 343965678 /nfs/dbraw/zinc/96/56/78/343965678.db2.gz PGPLEKZWGCTTBD-UWVGGRQHSA-N 0 3 245.319 0.315 20 0 BCADHN CC[C@H](CC(F)F)CN1C[C@H](O)[C@@H](O)C1 ZINC000625713360 344051392 /nfs/dbraw/zinc/05/13/92/344051392.db2.gz AUEMKCFKEHQXRX-VGMNWLOBSA-N 0 3 223.263 0.705 20 0 BCADHN CN(C)c1cccc(CN2C[C@H](O)[C@@H](O)C2)c1 ZINC000625721971 344055775 /nfs/dbraw/zinc/05/57/75/344055775.db2.gz HUJDUXXYSJSCPK-STQMWFEESA-N 0 3 236.315 0.290 20 0 BCADHN C[C@@H]1CN(C(=O)c2cccn2C)[C@@H](C)CN1 ZINC000083118278 187284206 /nfs/dbraw/zinc/28/42/06/187284206.db2.gz FDGUOGCGPJYUMK-ZJUUUORDSA-N 0 3 221.304 0.848 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)N[C@@H]3CC34CC4)C[C@@H]21 ZINC000425618067 192068951 /nfs/dbraw/zinc/06/89/51/192068951.db2.gz KMKICSVSXFUKKJ-OUAUKWLOSA-N 0 3 235.331 0.884 20 0 BCADHN CNC(=O)CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625773349 344070546 /nfs/dbraw/zinc/07/05/46/344070546.db2.gz RFBCHAQHZSLRLB-BDAKNGLRSA-N 0 3 214.334 0.702 20 0 BCADHN C[C@@H](C(N)=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625773827 344070585 /nfs/dbraw/zinc/07/05/85/344070585.db2.gz UYSXAUNSJZKCER-YIZRAAEISA-N 0 3 214.334 0.830 20 0 BCADHN CCC[C@H](N)c1cn(C[C@@H](O)CSC)nn1 ZINC000603256655 349900954 /nfs/dbraw/zinc/90/09/54/349900954.db2.gz AILDZXPSWVLYBF-BDAKNGLRSA-N 0 3 244.364 0.802 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](O)[C@@H](C)CC ZINC000129840993 344072791 /nfs/dbraw/zinc/07/27/91/344072791.db2.gz XOBLRGBICQFXJZ-YIZRAAEISA-N 0 3 202.298 0.247 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000130032713 344104229 /nfs/dbraw/zinc/10/42/29/344104229.db2.gz SNBRLCANBHUBIH-FOGDFJRCSA-N 0 3 228.336 0.781 20 0 BCADHN CC[C@@H](N)C(=O)NCC1(SC)CCOCC1 ZINC000130063848 344110515 /nfs/dbraw/zinc/11/05/15/344110515.db2.gz NEXWRXCDWYOCGM-SECBINFHSA-N 0 3 246.376 0.752 20 0 BCADHN CN(C[C@@H]1CNC(=O)O1)C1CCOCC1 ZINC000496540568 529957126 /nfs/dbraw/zinc/95/71/26/529957126.db2.gz UCHUETBTFQGXRO-VIFPVBQESA-N 0 3 214.265 0.206 20 0 BCADHN CN(C[C@@H]1CN(C)C(=O)O1)[C@H]1CCCOC1 ZINC000495598601 529957157 /nfs/dbraw/zinc/95/71/57/529957157.db2.gz ZZTSLNADYFWHQD-VHSXEESVSA-N 0 3 228.292 0.548 20 0 BCADHN CCOC[C@@H]1CCCN(C(=O)[C@H](N)CC)C1 ZINC000129868405 344081054 /nfs/dbraw/zinc/08/10/54/344081054.db2.gz IBDMPDRMDUKOKN-GHMZBOCLSA-N 0 3 228.336 0.999 20 0 BCADHN CC[C@](C)(N)c1cn(C[C@@H](O)CSC)nn1 ZINC000603260673 349901908 /nfs/dbraw/zinc/90/19/08/349901908.db2.gz PZAXQORRWFAISF-SCZZXKLOSA-N 0 3 244.364 0.586 20 0 BCADHN CN(C[C@@H]1CN(C)C(=O)O1)C[C@H]1CCC[C@@H]1O ZINC000496435993 529957336 /nfs/dbraw/zinc/95/73/36/529957336.db2.gz PCYVKPKQZFEQAU-MXWKQRLJSA-N 0 3 242.319 0.530 20 0 BCADHN CC1(C)CCC[C@](CO)(NCC(N)=O)C1 ZINC000625835065 344088676 /nfs/dbraw/zinc/08/86/76/344088676.db2.gz SLUBHKRYRVFWPD-NSHDSACASA-N 0 3 214.309 0.393 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2cccnc2)[C@@H](C)CN1 ZINC000086468010 187285861 /nfs/dbraw/zinc/28/58/61/187285861.db2.gz SHRRXKXSPRZLLB-MNOVXSKESA-N 0 3 233.315 0.833 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)c1ncnn1C ZINC000331047754 187358227 /nfs/dbraw/zinc/35/82/27/187358227.db2.gz HDPGREPYCZSERP-SECBINFHSA-N 0 3 239.323 0.333 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]1C ZINC000126204200 187358255 /nfs/dbraw/zinc/35/82/55/187358255.db2.gz YGCFXYFPPOFASG-ONGXEEELSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@H](O)CCN(C)[C@H]1CCCCN(C)C1=O ZINC000634744034 344164684 /nfs/dbraw/zinc/16/46/84/344164684.db2.gz LZZLHDLCDFLGKO-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN CC(C)[C@@H](O)CN(C)[C@@H]1CCCCN(C)C1=O ZINC000634744041 344164828 /nfs/dbraw/zinc/16/48/28/344164828.db2.gz MAUGTRWNUIJJSW-NEPJUHHUSA-N 0 3 242.363 0.946 20 0 BCADHN c1nc2n(c1CN1C[C@@H]3COC[C@@H]3C1)CCC2 ZINC000634744427 344165193 /nfs/dbraw/zinc/16/51/93/344165193.db2.gz YHHWNVFTJYUORF-PHIMTYICSA-N 0 3 233.315 0.908 20 0 BCADHN C[C@@H](CNC(=O)C1(C)CCOCC1)N(C)C ZINC000588638183 344165285 /nfs/dbraw/zinc/16/52/85/344165285.db2.gz XITYYNXEHHNMAH-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN Cc1ncc(CN2C[C@@H]3COC[C@@H]3C2)n1C ZINC000634744905 344166520 /nfs/dbraw/zinc/16/65/20/344166520.db2.gz OSRYBBRXXGAZLF-PHIMTYICSA-N 0 3 221.304 0.807 20 0 BCADHN CCOC[C@H]1CCN(C(=O)[C@H](N)CC)C1 ZINC000130155033 344119198 /nfs/dbraw/zinc/11/91/98/344119198.db2.gz QFTIPKDOSIJDPM-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN c1[nH]nnc1CCN1CCO[C@@H]2CCC[C@@H]21 ZINC000625853685 344125127 /nfs/dbraw/zinc/12/51/27/344125127.db2.gz ZZZXDMFEMXOWML-WDEREUQCSA-N 0 3 222.292 0.601 20 0 BCADHN O=C1C[C@@H](CN2CCO[C@@H]3CCC[C@@H]32)CN1 ZINC000625853844 344125618 /nfs/dbraw/zinc/12/56/18/344125618.db2.gz IMNJDGXCWFMKLK-OUAUKWLOSA-N 0 3 224.304 0.376 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)Nc2nccs2)C1 ZINC000040629337 344128959 /nfs/dbraw/zinc/12/89/59/344128959.db2.gz GJFMQKJPNDJTAP-NKWVEPMBSA-N 0 3 227.289 0.459 20 0 BCADHN COc1cccc(CNCC[C@@H](C)O)n1 ZINC000082995550 362359698 /nfs/dbraw/zinc/35/96/98/362359698.db2.gz SEWDUQXCLWUKJE-SECBINFHSA-N 0 3 210.277 0.951 20 0 BCADHN CC[C@@H](N)C(=O)N(CC)Cc1cnn(C)c1 ZINC000130395102 344135400 /nfs/dbraw/zinc/13/54/00/344135400.db2.gz LGIOVULQTRWPBV-SNVBAGLBSA-N 0 3 224.308 0.506 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCSC1 ZINC000081037604 344137250 /nfs/dbraw/zinc/13/72/50/344137250.db2.gz MVUGRUMABOMEPF-VIFPVBQESA-N 0 3 216.350 0.948 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cn(C)nc1C(C)C ZINC000306034358 344144519 /nfs/dbraw/zinc/14/45/19/344144519.db2.gz OMKXGRRDLHSHFP-SECBINFHSA-N 0 3 240.307 0.456 20 0 BCADHN CNC(=O)[C@H]1CCCN1CCC(C)(C)O ZINC000081668391 344146905 /nfs/dbraw/zinc/14/69/05/344146905.db2.gz COQLVPJMJVUWNC-SECBINFHSA-N 0 3 214.309 0.358 20 0 BCADHN COCCCN(C)[C@H]1CCCCN(C)C1=O ZINC000634739006 344152558 /nfs/dbraw/zinc/15/25/58/344152558.db2.gz GLPQBSRQQQNVQG-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1ccccc1OC ZINC000082248311 344153013 /nfs/dbraw/zinc/15/30/13/344153013.db2.gz USOITEMJUFARCE-JTQLQIEISA-N 0 3 236.315 0.962 20 0 BCADHN CSCCCNC(=O)COC1(C)CNC1 ZINC000165827895 344153443 /nfs/dbraw/zinc/15/34/43/344153443.db2.gz BWRPCNYUBXRLFI-UHFFFAOYSA-N 0 3 232.349 0.234 20 0 BCADHN CN(C[C@H]1CCOC1)[C@@H]1CCCCN(C)C1=O ZINC000634739143 344155717 /nfs/dbraw/zinc/15/57/17/344155717.db2.gz KCFZKIXQJXZJOY-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CSC[C@H](C)NC(=O)COC1(C)CNC1 ZINC000165849511 344156203 /nfs/dbraw/zinc/15/62/03/344156203.db2.gz XQKCSJKRXMKOOI-QMMMGPOBSA-N 0 3 232.349 0.233 20 0 BCADHN O=C(CNC1CC1)NCC1CCOCC1 ZINC000082545486 344157388 /nfs/dbraw/zinc/15/73/88/344157388.db2.gz KDBJFFVZVKNUNP-UHFFFAOYSA-N 0 3 212.293 0.281 20 0 BCADHN CC[C@@H](O)CN(C)[C@H]1CCCCN(C)C1=O ZINC000634739388 344160856 /nfs/dbraw/zinc/16/08/56/344160856.db2.gz SRFPSPDZSBBQSW-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN CN[C@@H](C)C(=O)N1CCOCC(F)(F)C1 ZINC000634739372 344161127 /nfs/dbraw/zinc/16/11/27/344161127.db2.gz RNMWVIXVULCHGK-ZETCQYMHSA-N 0 3 222.235 0.088 20 0 BCADHN C[C@@H](CO)CN(C)[C@H]1CCCCN(C)C1=O ZINC000634743469 344161546 /nfs/dbraw/zinc/16/15/46/344161546.db2.gz VCXRSMZZAJKOMW-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H](CO)CN(C)[C@@H]1CCCCN(C)C1=O ZINC000634743468 344161778 /nfs/dbraw/zinc/16/17/78/344161778.db2.gz VCXRSMZZAJKOMW-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN COC[C@H](C)N(C)[C@@H]1CCCCN(C)C1=O ZINC000634739639 344162010 /nfs/dbraw/zinc/16/20/10/344162010.db2.gz BCJAOQWTAJDPIG-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)NCC(=O)N1CCOCC(F)(F)C1 ZINC000634739935 344162233 /nfs/dbraw/zinc/16/22/33/344162233.db2.gz KBRNAMYOBHMZFO-UHFFFAOYSA-N 0 3 236.262 0.479 20 0 BCADHN CCSCCN[C@@H](C)CS(C)(=O)=O ZINC000128980512 344209919 /nfs/dbraw/zinc/20/99/19/344209919.db2.gz WRPFCTXIDOQDJL-QMMMGPOBSA-N 0 3 225.379 0.762 20 0 BCADHN Cc1noc(C)c1CNC(=O)CNC(C)C ZINC000086110098 344211923 /nfs/dbraw/zinc/21/19/23/344211923.db2.gz RHYRJTGEUDLICD-UHFFFAOYSA-N 0 3 225.292 0.906 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000564927769 344212002 /nfs/dbraw/zinc/21/20/02/344212002.db2.gz ZYMNSNIRPFIVBI-ZJUUUORDSA-N 0 3 236.319 0.158 20 0 BCADHN CCC(O)(CC)CNCc1cnnn1C ZINC000129737422 344214485 /nfs/dbraw/zinc/21/44/85/344214485.db2.gz JIVVABKIKGBXMZ-UHFFFAOYSA-N 0 3 212.297 0.456 20 0 BCADHN COC[C@H](NCc1n[nH]c(C)n1)C1CC1 ZINC000129815197 344216147 /nfs/dbraw/zinc/21/61/47/344216147.db2.gz UMYIEIOHNBUUQQ-VIFPVBQESA-N 0 3 210.281 0.628 20 0 BCADHN COC[C@@H](O)CN1CCSC(C)(C)C1 ZINC000129819475 344216328 /nfs/dbraw/zinc/21/63/28/344216328.db2.gz PLJJYRXGLYVORG-VIFPVBQESA-N 0 3 219.350 0.821 20 0 BCADHN C[C@H](O)CN1CCO[C@H](C(F)F)CC1 ZINC000634758073 344224499 /nfs/dbraw/zinc/22/44/99/344224499.db2.gz HLJIBZSQSJXTCM-YUMQZZPRSA-N 0 3 209.236 0.723 20 0 BCADHN C[C@@H](CO)CN1CCC[C@H]1C(=O)N(C)C ZINC000625866728 344237094 /nfs/dbraw/zinc/23/70/94/344237094.db2.gz POCJJTDRNSXHAP-ZJUUUORDSA-N 0 3 214.309 0.167 20 0 BCADHN CSC[C@@H](C)C(=O)N[C@@H](CO)CN(C)C ZINC000588864811 344195738 /nfs/dbraw/zinc/19/57/38/344195738.db2.gz SDBDBDVPWCWMCW-RKDXNWHRSA-N 0 3 234.365 0.024 20 0 BCADHN CC[C@H](SC)C(=O)N[C@@H](CO)CN(C)C ZINC000588865127 344196025 /nfs/dbraw/zinc/19/60/25/344196025.db2.gz TZLPEOBRXZODJP-BDAKNGLRSA-N 0 3 234.365 0.167 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](C)N)[C@H]1CCCO1 ZINC000158018489 344238606 /nfs/dbraw/zinc/23/86/06/344238606.db2.gz FINDJPMOXFMGOG-IWSPIJDZSA-N 0 3 200.282 0.407 20 0 BCADHN NC1(C(=O)N2CCO[C@H](C(F)F)CC2)CCC1 ZINC000634752029 344203754 /nfs/dbraw/zinc/20/37/54/344203754.db2.gz CFZDMIRHUZBWOV-QMMMGPOBSA-N 0 3 248.273 0.750 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000634752778 344205401 /nfs/dbraw/zinc/20/54/01/344205401.db2.gz SICVWJHGVGNOAD-RNFRBKRXSA-N 0 3 222.235 0.216 20 0 BCADHN CN1CCCN(C(=O)CN2CC(C)(C)C2)CC1 ZINC000569376304 344248290 /nfs/dbraw/zinc/24/82/90/344248290.db2.gz VAHXZHRLLAXXNI-UHFFFAOYSA-N 0 3 239.363 0.492 20 0 BCADHN CC(C(=O)N1C[C@H](C)C[C@H]1C)S(C)(=O)=O ZINC000408215809 344250254 /nfs/dbraw/zinc/25/02/54/344250254.db2.gz ANAOXEMBCALALG-IWSPIJDZSA-N 0 3 233.333 0.676 20 0 BCADHN CCOC(=O)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC000131346951 344269478 /nfs/dbraw/zinc/26/94/78/344269478.db2.gz UGBCSMCSDPXJEZ-NSHDSACASA-N 0 3 244.335 0.594 20 0 BCADHN COCCN1CC[C@@H](Nc2ncncc2C)C1 ZINC000641362202 362375638 /nfs/dbraw/zinc/37/56/38/362375638.db2.gz CDDZAHJVNHKMPM-LLVKDONJSA-N 0 3 236.319 0.918 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H](C)[C@@H](C)OC ZINC000132188993 344282303 /nfs/dbraw/zinc/28/23/03/344282303.db2.gz UQDGNMWPDXNOTQ-HRDYMLBCSA-N 0 3 202.298 0.524 20 0 BCADHN CNC(=O)N[C@H]1CCN(CCC(C)(C)O)C1 ZINC000408258054 344284901 /nfs/dbraw/zinc/28/49/01/344284901.db2.gz UNNGQCPWKOHHEH-VIFPVBQESA-N 0 3 229.324 0.151 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CCS(=O)(=O)[C@@H]2C)[C@H](C)O1 ZINC000385011206 344294731 /nfs/dbraw/zinc/29/47/31/344294731.db2.gz WSPLUAVBAYMFJN-QGKZMRNZSA-N 0 3 247.360 0.718 20 0 BCADHN CCO[C@@H](CN1CCC[C@H]1C(N)=O)C1CC1 ZINC000625869238 344242107 /nfs/dbraw/zinc/24/21/07/344242107.db2.gz BUFKSQODLNAJOU-QWRGUYRKSA-N 0 3 226.320 0.751 20 0 BCADHN Cn1cncc1CCCN1CCC[C@H]1C(N)=O ZINC000625869590 344242555 /nfs/dbraw/zinc/24/25/55/344242555.db2.gz WXTUGHXPIPHWIY-NSHDSACASA-N 0 3 236.319 0.302 20 0 BCADHN CN1CCC[C@@H]1CN1CCC[C@H]1C(N)=O ZINC000625869774 344243614 /nfs/dbraw/zinc/24/36/14/344243614.db2.gz HDIMHINABZJFIS-ZJUUUORDSA-N 0 3 211.309 0.030 20 0 BCADHN C[C@@](O)(CN1C[C@@H]2COC[C@@H]2C1)C(F)(F)F ZINC000634779285 344311605 /nfs/dbraw/zinc/31/16/05/344311605.db2.gz KKKZAJNRGQKOTQ-HRDYMLBCSA-N 0 3 239.237 0.878 20 0 BCADHN FC1(F)C[C@@H]1OCCN1C[C@@H]2COC[C@@H]2C1 ZINC000634779290 344311622 /nfs/dbraw/zinc/31/16/22/344311622.db2.gz KQMVMRXZESMVGX-AEJSXWLSSA-N 0 3 233.258 0.989 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCC1(CCO)CC1 ZINC000133129678 344313514 /nfs/dbraw/zinc/31/35/14/344313514.db2.gz BDFFWMWEMAUYEB-SECBINFHSA-N 0 3 235.349 0.172 20 0 BCADHN CCCN(CCCO)CC(=O)N(C)C ZINC000056510407 344327123 /nfs/dbraw/zinc/32/71/23/344327123.db2.gz KJFNYTNCTUTGEJ-UHFFFAOYSA-N 0 3 202.298 0.169 20 0 BCADHN CN(C[C@H]1CN(C)C(=O)O1)[C@@H](CO)C(C)(C)C ZINC000496432978 529972554 /nfs/dbraw/zinc/97/25/54/529972554.db2.gz BVDOHFZXWCAIAD-UWVGGRQHSA-N 0 3 244.335 0.776 20 0 BCADHN CCn1nncc1CNC[C@H](O)CSC ZINC000600742569 344367515 /nfs/dbraw/zinc/36/75/15/344367515.db2.gz DZSMSCKJFWMMQB-VIFPVBQESA-N 0 3 230.337 0.112 20 0 BCADHN COC(=O)CCCCN1CC[C@@H](F)[C@H](N)C1 ZINC000600708939 344361220 /nfs/dbraw/zinc/36/12/20/344361220.db2.gz IMUCASZONMGKQL-NXEZZACHSA-N 0 3 232.299 0.701 20 0 BCADHN COC(=O)CCCCN1CCNC[C@@](C)(F)C1 ZINC000600711918 344361552 /nfs/dbraw/zinc/36/15/52/344361552.db2.gz UINPKBBEZUNRQQ-GFCCVEGCSA-N 0 3 246.326 0.963 20 0 BCADHN C[C@@H](CCNCc1cnn(C)c1)[S@@](C)=O ZINC000132601172 344305329 /nfs/dbraw/zinc/30/53/29/344305329.db2.gz BIYJJGROHXUACP-VFZGTOFNSA-N 0 3 229.349 0.667 20 0 BCADHN CC[C@@H]1C(=O)NCCN1Cc1cn[nH]c1C ZINC000093050826 344307828 /nfs/dbraw/zinc/30/78/28/344307828.db2.gz NRXVHTRTHYAEGK-SNVBAGLBSA-N 0 3 222.292 0.429 20 0 BCADHN NC(=O)N[C@@H]1CCN(CC[C@@H]2CCCO2)C1 ZINC000408272911 344422774 /nfs/dbraw/zinc/42/27/74/344422774.db2.gz KUZCPHCNMCIYIJ-ZJUUUORDSA-N 0 3 227.308 0.298 20 0 BCADHN CCn1ccc(C(=O)NCCN(C)C2CC2)n1 ZINC000584293918 344427205 /nfs/dbraw/zinc/42/72/05/344427205.db2.gz WMTOQVGIIZOAJR-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN CCCN1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC000389317342 344430315 /nfs/dbraw/zinc/43/03/15/344430315.db2.gz FXPJGFSNFLWWIU-SNVBAGLBSA-N 0 3 231.303 0.666 20 0 BCADHN C[C@@H](N)C(=O)NCCOc1ccc(F)cc1 ZINC000041247005 344431927 /nfs/dbraw/zinc/43/19/27/344431927.db2.gz GPAZSDXGONKJES-MRVPVSSYSA-N 0 3 226.251 0.668 20 0 BCADHN Cc1ncccc1CNCCC(=O)NC(N)=O ZINC000600764116 344369659 /nfs/dbraw/zinc/36/96/59/344369659.db2.gz XVEBECKUMXEJBV-UHFFFAOYSA-N 0 3 236.275 0.065 20 0 BCADHN COC[C@@H](C)NC1CN(C(=O)OC)C1 ZINC000181463937 259375502 /nfs/dbraw/zinc/37/55/02/259375502.db2.gz 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211.309 0.956 20 0 BCADHN CO[C@H]1C[C@@H](N(C)C(=O)CN(C)C(C)C)C1 ZINC000584283497 344417291 /nfs/dbraw/zinc/41/72/91/344417291.db2.gz ZFCIAWKCLIYCHC-PHIMTYICSA-N 0 3 228.336 0.962 20 0 BCADHN COC[C@H](C)CNC(=O)[C@@H]1CCCCN1 ZINC000041679356 344439884 /nfs/dbraw/zinc/43/98/84/344439884.db2.gz XPLPBUZKTJEGME-ZJUUUORDSA-N 0 3 214.309 0.527 20 0 BCADHN COC[C@H](C)NCC(=O)NCC(F)(F)F ZINC000042206856 344445913 /nfs/dbraw/zinc/44/59/13/344445913.db2.gz YDZSPFNWLXMZDV-LURJTMIESA-N 0 3 228.214 0.289 20 0 BCADHN COC(=O)CCN1CCCC[C@H]1CO ZINC000042207416 344446014 /nfs/dbraw/zinc/44/60/14/344446014.db2.gz AYPQTYDMCUFBCY-VIFPVBQESA-N 0 3 201.266 0.396 20 0 BCADHN CN(CCC(N)=O)C[C@H]1CCCCO1 ZINC000042288055 344449112 /nfs/dbraw/zinc/44/91/12/344449112.db2.gz LRTPTUBADAWUBD-SECBINFHSA-N 0 3 200.282 0.363 20 0 BCADHN CN(c1cc(C(N)=O)ncn1)[C@@H]1CCCN(C)C1 ZINC000641398077 362391598 /nfs/dbraw/zinc/39/15/98/362391598.db2.gz NUDOUZWFJUKJOP-SECBINFHSA-N 0 3 249.318 0.106 20 0 BCADHN CN(CCOCCO)C[C@H]1CCCO1 ZINC000042465183 344455792 /nfs/dbraw/zinc/45/57/92/344455792.db2.gz ZAHXPPSERXMNFM-SNVBAGLBSA-N 0 3 203.282 0.106 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000042476963 344456061 /nfs/dbraw/zinc/45/60/61/344456061.db2.gz CININPICVKXOIB-OPRDCNLKSA-N 0 3 212.293 0.504 20 0 BCADHN CN(c1cc(C(N)=O)ncn1)[C@H]1CCCN(C)C1 ZINC000641398078 362392298 /nfs/dbraw/zinc/39/22/98/362392298.db2.gz NUDOUZWFJUKJOP-VIFPVBQESA-N 0 3 249.318 0.106 20 0 BCADHN C[C@@H](C(=O)N[C@@H]1CC[C@H]1O)N1CCCCCC1 ZINC000425046284 192071574 /nfs/dbraw/zinc/07/15/74/192071574.db2.gz LQHXMNFZHWQPCQ-QJPTWQEYSA-N 0 3 240.347 0.890 20 0 BCADHN COC(=O)c1cc(SCCN(C)C)ncn1 ZINC000603311597 349911187 /nfs/dbraw/zinc/91/11/87/349911187.db2.gz UPDGGKCOARGACU-UHFFFAOYSA-N 0 3 241.316 0.917 20 0 BCADHN COc1ccc([C@@H](C)NC(=O)CN)cc1F ZINC000037032571 344486908 /nfs/dbraw/zinc/48/69/08/344486908.db2.gz MTTDSQBJWJCNHX-SSDOTTSWSA-N 0 3 226.251 0.970 20 0 BCADHN CN1CCC(NC(=O)[C@@H](N)c2ccccc2)CC1 ZINC000037267563 344496959 /nfs/dbraw/zinc/49/69/59/344496959.db2.gz DZSSZMPNOYRHAA-ZDUSSCGKSA-N 0 3 247.342 0.897 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000037508710 344509993 /nfs/dbraw/zinc/50/99/93/344509993.db2.gz QOSBLOKPGIXOJO-UWVGGRQHSA-N 0 3 244.335 0.818 20 0 BCADHN COC(=O)[C@H]1CNCCCN1CC1CC1 ZINC000381484963 344511267 /nfs/dbraw/zinc/51/12/67/344511267.db2.gz HSNYFEHOZRKRPX-SNVBAGLBSA-N 0 3 212.293 0.233 20 0 BCADHN Cc1nc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)n[nH]1 ZINC000381535779 344518634 /nfs/dbraw/zinc/51/86/34/344518634.db2.gz GPPOAFYSWSIZCT-LPEHRKFASA-N 0 3 222.292 0.316 20 0 BCADHN CCOCC(=O)NCCN(C)CCCOC ZINC000152341814 344522664 /nfs/dbraw/zinc/52/26/64/344522664.db2.gz WXNULCIEBWGPMO-UHFFFAOYSA-N 0 3 232.324 0.107 20 0 BCADHN C[C@](O)(CNCCn1ccnc1)C(F)(F)F ZINC000381666464 344533169 /nfs/dbraw/zinc/53/31/69/344533169.db2.gz VPDDUASAOWMXRF-QMMMGPOBSA-N 0 3 237.225 0.786 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@@](C)(CC)CO ZINC000577506316 344533394 /nfs/dbraw/zinc/53/33/94/344533394.db2.gz RNGBARSZIYYLFZ-YPMHNXCESA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](O)CCCN1CCN(C2CC2)CC1 ZINC000045620592 344573926 /nfs/dbraw/zinc/57/39/26/344573926.db2.gz OHTAUJXRUYRDLR-LLVKDONJSA-N 0 3 212.337 0.927 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@](C)(CC)CO ZINC000577506315 344533866 /nfs/dbraw/zinc/53/38/66/344533866.db2.gz RNGBARSZIYYLFZ-WCQYABFASA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](O)CCN1CCN(CC2CC2)CC1 ZINC000044180009 344536441 /nfs/dbraw/zinc/53/64/41/344536441.db2.gz PURYCGRBDZBJCA-NSHDSACASA-N 0 3 212.337 0.785 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2ccn(C)n2)nn1 ZINC000395271819 362406450 /nfs/dbraw/zinc/40/64/50/362406450.db2.gz SNXAZEOIWJAYLT-NSHDSACASA-N 0 3 234.307 0.644 20 0 BCADHN C[C@@]1(O)CCCN(CC(=O)N2CCCC2)CC1 ZINC000230377328 344560216 /nfs/dbraw/zinc/56/02/16/344560216.db2.gz DXOOHHGSNIYUTD-CYBMUJFWSA-N 0 3 240.347 0.846 20 0 BCADHN C[C@@H](C(N)=O)N1CCC[C@@](C)(O)CC1 ZINC000230375053 344560341 /nfs/dbraw/zinc/56/03/41/344560341.db2.gz WQIYHCCBTIPEGE-WCBMZHEXSA-N 0 3 200.282 0.097 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000037815398 344591664 /nfs/dbraw/zinc/59/16/64/344591664.db2.gz CININPICVKXOIB-KXUCPTDWSA-N 0 3 212.293 0.504 20 0 BCADHN CC(C)CN(C(=O)CN1CCNCC1)C1CC1 ZINC000037806762 344591986 /nfs/dbraw/zinc/59/19/86/344591986.db2.gz ZUKDNVWOFKLCCO-UHFFFAOYSA-N 0 3 239.363 0.539 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)C1(N)CCCC1 ZINC000037823572 344593272 /nfs/dbraw/zinc/59/32/72/344593272.db2.gz PIHDZJSTFVPYKY-SECBINFHSA-N 0 3 242.319 0.525 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)C[C@H](C)C(=O)OC ZINC000037823553 344593743 /nfs/dbraw/zinc/59/37/43/344593743.db2.gz UUDHENSEXGWJEG-CABZTGNLSA-N 0 3 244.335 0.771 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCN(CC2CC2)CC1 ZINC000037816786 344595237 /nfs/dbraw/zinc/59/52/37/344595237.db2.gz GPGITRJUXBHGJR-LBPRGKRZSA-N 0 3 239.363 0.524 20 0 BCADHN CSCCN(C)C(=O)C(C)S(C)(=O)=O ZINC000152487804 344582623 /nfs/dbraw/zinc/58/26/23/344582623.db2.gz NCVARZCUSOQHLI-ZETCQYMHSA-N 0 3 239.362 0.241 20 0 BCADHN COC(=O)CCN1C[C@@H](O)C(C)(C)C1 ZINC000387746244 347057950 /nfs/dbraw/zinc/05/79/50/347057950.db2.gz ZAVSMXZXNMQNHP-MRVPVSSYSA-N 0 3 201.266 0.252 20 0 BCADHN COC(=O)c1cccc(CNC(=O)[C@@H](C)N)c1 ZINC000152562686 344604680 /nfs/dbraw/zinc/60/46/80/344604680.db2.gz JGRVUCLWSIJZCB-MRVPVSSYSA-N 0 3 236.271 0.437 20 0 BCADHN CC(C)N1CCCC[C@H]1Cn1nnn(C)c1=O ZINC000641538327 362486151 /nfs/dbraw/zinc/48/61/51/362486151.db2.gz XYZUKMZYNXWSMV-JTQLQIEISA-N 0 3 239.323 0.240 20 0 BCADHN C[C@H](CO)CN1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000625994647 344660232 /nfs/dbraw/zinc/66/02/32/344660232.db2.gz CDIMBALTLZTZEM-GXSJLCMTSA-N 0 3 237.303 0.948 20 0 BCADHN COCC[C@H](C)NCC(=O)NCC(F)(F)F ZINC000081711073 344665736 /nfs/dbraw/zinc/66/57/36/344665736.db2.gz IKNRBCOFMXCJGL-ZETCQYMHSA-N 0 3 242.241 0.680 20 0 BCADHN CCO[C@@H](C(=O)N(C)CCN(C)C)C1CC1 ZINC000625969393 344628701 /nfs/dbraw/zinc/62/87/01/344628701.db2.gz BDUSMPJDUDCLBV-LLVKDONJSA-N 0 3 228.336 0.822 20 0 BCADHN C[C@]1(CO)CN(C[C@@H]2CCCO2)C[C@@]1(C)CO ZINC000625972095 344635467 /nfs/dbraw/zinc/63/54/67/344635467.db2.gz VMLZYRKHPSWQTQ-RWMBFGLXSA-N 0 3 243.347 0.478 20 0 BCADHN CCN1CCC(N(C)C(=O)[C@@H]2CCOC2)CC1 ZINC000119897295 344643396 /nfs/dbraw/zinc/64/33/96/344643396.db2.gz WOXRIDYJKGGGPM-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN NC(=O)C[C@@H]1CN(CC2CC=CC2)CCO1 ZINC000626075933 344719872 /nfs/dbraw/zinc/71/98/72/344719872.db2.gz ZTVIGQHVJJBZHD-LLVKDONJSA-N 0 3 224.304 0.529 20 0 BCADHN CCN(CCO)CCO[C@@H]1CCCCO1 ZINC000050105307 344720496 /nfs/dbraw/zinc/72/04/96/344720496.db2.gz NEXPGAWYVOLLSH-LLVKDONJSA-N 0 3 217.309 0.844 20 0 BCADHN Cc1nccn1CCN(CCO)C1CC1 ZINC000050104129 344720743 /nfs/dbraw/zinc/72/07/43/344720743.db2.gz VUDRBPOJXBVNGG-UHFFFAOYSA-N 0 3 209.293 0.648 20 0 BCADHN NC(=O)C[C@H]1CN(CC2CCCC2)CCO1 ZINC000626077586 344722637 /nfs/dbraw/zinc/72/26/37/344722637.db2.gz MWJHNGGZJJZFJU-NSHDSACASA-N 0 3 226.320 0.753 20 0 BCADHN NC(=O)C[C@@H]1CN(CC2CCC2)CCO1 ZINC000626076652 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Cc1cc(CNC(=O)C2(N)CCC2)no1 ZINC000088050929 362840982 /nfs/dbraw/zinc/84/09/82/362840982.db2.gz AWANNBMDWGDYSR-UHFFFAOYSA-N 0 3 209.249 0.481 20 0 BCADHN COc1ncccc1CN[C@H]1CCNC(=O)CC1 ZINC000396736688 362831415 /nfs/dbraw/zinc/83/14/15/362831415.db2.gz KRAWXLWYGNOOFY-LLVKDONJSA-N 0 3 249.314 0.849 20 0 BCADHN CC1(C)CN([C@@H]2CCCCNC2=O)CC[C@H]1O ZINC000301942775 347444069 /nfs/dbraw/zinc/44/40/69/347444069.db2.gz ZWOSXMIMSLGUJV-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN CN1CC=C(CNC(=O)C(C)(C)CO)CC1 ZINC000571535011 323147342 /nfs/dbraw/zinc/14/73/42/323147342.db2.gz LJMPAZUBRBVYRI-UHFFFAOYSA-N 0 3 226.320 0.383 20 0 BCADHN CC[C@@H]1CCCCN1CC(=O)NC(=O)NC ZINC000016334036 347506024 /nfs/dbraw/zinc/50/60/24/347506024.db2.gz DEWGFAUCTBGGKT-SECBINFHSA-N 0 3 227.308 0.707 20 0 BCADHN Cc1ncc2c(n1)CC[C@@H](NC(=O)[C@H](C)N)C2 ZINC000577219622 365887284 /nfs/dbraw/zinc/88/72/84/365887284.db2.gz QPKLRUMYQZHAAT-OIBJUYFYSA-N 0 3 234.303 0.106 20 0 BCADHN CO[C@@H](CC(C)C)CN1CC[C@@H](NC(N)=O)C1 ZINC000419224988 192107098 /nfs/dbraw/zinc/10/70/98/192107098.db2.gz GLMGFFHMEVOCDI-MNOVXSKESA-N 0 3 243.351 0.790 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCc1cnn(C)c1 ZINC000382972155 347513370 /nfs/dbraw/zinc/51/33/70/347513370.db2.gz RNMLEWINZRLPAW-MRVPVSSYSA-N 0 3 222.292 0.177 20 0 BCADHN Cc1ccccc1C(=O)NC[C@H]1CNCCO1 ZINC000036285311 179251227 /nfs/dbraw/zinc/25/12/27/179251227.db2.gz MECBTPXZEQXNEV-LLVKDONJSA-N 0 3 234.299 0.713 20 0 BCADHN CN1CCC[C@@H](NC(=O)NC[C@H](O)C2CC2)C1 ZINC000590859832 347575783 /nfs/dbraw/zinc/57/57/83/347575783.db2.gz SHOQLCHIRLVGLV-MNOVXSKESA-N 0 3 241.335 0.151 20 0 BCADHN CC(C)(C)N1CC[C@H]1CNC(=O)[C@H](O)C1CC1 ZINC000617006823 347576825 /nfs/dbraw/zinc/57/68/25/347576825.db2.gz HFTQMRHYFPPNOO-WDEREUQCSA-N 0 3 240.347 0.746 20 0 BCADHN CN1CCC[C@H](NC(=O)NC2(C)COC2)C1 ZINC000636623593 347578305 /nfs/dbraw/zinc/57/83/05/347578305.db2.gz APZBYPNSBSMCEM-VIFPVBQESA-N 0 3 227.308 0.169 20 0 BCADHN C[C@H](O)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617008698 347579018 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ZINC000592564208 347797530 /nfs/dbraw/zinc/79/75/30/347797530.db2.gz DVGYGTNUPUOLNL-SECBINFHSA-N 0 3 242.300 0.298 20 0 BCADHN COC(=O)[C@@H](CC(C)(C)C)NC(=O)CN ZINC000592568904 347798257 /nfs/dbraw/zinc/79/82/57/347798257.db2.gz ZZIWJWJJAJRLNY-SSDOTTSWSA-N 0 3 216.281 0.039 20 0 BCADHN CNCC(=O)N[C@@H](CC(C)(C)C)C(=O)OC ZINC000592568834 347798374 /nfs/dbraw/zinc/79/83/74/347798374.db2.gz WEYYXYQBUUQZTG-QMMMGPOBSA-N 0 3 230.308 0.300 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](CC(C)(C)C)C(=O)OC ZINC000592568145 347798465 /nfs/dbraw/zinc/79/84/65/347798465.db2.gz MUXLNWJIGRCHHL-BDAKNGLRSA-N 0 3 244.335 0.818 20 0 BCADHN COC(=O)[C@@H](NC(=O)CN)c1ccccc1F ZINC000592538711 347798905 /nfs/dbraw/zinc/79/89/05/347798905.db2.gz FKADRADUHNFMHI-JTQLQIEISA-N 0 3 240.234 0.115 20 0 BCADHN CC[C@@H](CNC(=O)[C@H](CC)N(C)C)C(=O)OC ZINC000592858322 347825360 /nfs/dbraw/zinc/82/53/60/347825360.db2.gz VQJNSFWKKUWHLK-UWVGGRQHSA-N 0 3 244.335 0.642 20 0 BCADHN CCSCCN1CCCNC[C@@H]1C(=O)OC ZINC000592489244 347787065 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0 3 240.303 0.052 20 0 BCADHN COC(=O)[C@@H]1C[C@H]1[C@H](C)N[C@H](C)C(=O)N(C)C ZINC000594933634 348140706 /nfs/dbraw/zinc/14/07/06/348140706.db2.gz AQHRXXMOCMUJIT-QCLAVDOMSA-N 0 3 242.319 0.250 20 0 BCADHN C[C@@H](C[S@](C)=O)NCc1cnc2n1CCC2 ZINC000594943139 348144343 /nfs/dbraw/zinc/14/43/43/348144343.db2.gz NOWQGMXZLXKHTC-FVMDXXJSSA-N 0 3 241.360 0.686 20 0 BCADHN C[C@H](C[S@](C)=O)NCc1cnc2n1CCC2 ZINC000594943136 348144429 /nfs/dbraw/zinc/14/44/29/348144429.db2.gz NOWQGMXZLXKHTC-ABKXIKBNSA-N 0 3 241.360 0.686 20 0 BCADHN CCN(C)C(=O)CN[C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594944091 348144978 /nfs/dbraw/zinc/14/49/78/348144978.db2.gz HKPPNFLUJWSJJW-BBBLOLIVSA-N 0 3 242.319 0.252 20 0 BCADHN C[C@H](C[S@](C)=O)NCc1cnn2c1CCC2 ZINC000594944747 348145068 /nfs/dbraw/zinc/14/50/68/348145068.db2.gz VYGHVYCMRIJZSE-ABKXIKBNSA-N 0 3 241.360 0.686 20 0 BCADHN COCC(COC)N[C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594947651 348146685 /nfs/dbraw/zinc/14/66/85/348146685.db2.gz BCTKMTOXXAIVQK-FBIMIBRVSA-N 0 3 245.319 0.435 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594916570 348152759 /nfs/dbraw/zinc/15/27/59/348152759.db2.gz GKFOHYUAAXBUGR-KATARQTJSA-N 0 3 242.319 0.298 20 0 BCADHN C[C@H](CSCCF)NCC(=O)N(C)C ZINC000595028454 348173825 /nfs/dbraw/zinc/17/38/25/348173825.db2.gz XPCJETHBVGERAY-MRVPVSSYSA-N 0 3 222.329 0.755 20 0 BCADHN COC(=O)[C@@H]1CCN(CCO[C@H]2CC2(F)F)C1 ZINC000595293283 348214863 /nfs/dbraw/zinc/21/48/63/348214863.db2.gz JBWCLFLJRULBGF-BDAKNGLRSA-N 0 3 249.257 0.906 20 0 BCADHN CC[C@H](CN[C@@]1(CC(=O)OC)CCOC1)OC ZINC000419236345 192112875 /nfs/dbraw/zinc/11/28/75/192112875.db2.gz FAIIEEHRXPRDTE-ZYHUDNBSSA-N 0 3 245.319 0.723 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCS[C@@H]1C ZINC000220708853 490139110 /nfs/dbraw/zinc/13/91/10/490139110.db2.gz UUWOCWLWFAOOTK-IWSPIJDZSA-N 0 3 237.390 0.903 20 0 BCADHN COC(=O)[C@](C)(CCF)NC(=O)CNC1CC1 ZINC000595257176 348204621 /nfs/dbraw/zinc/20/46/21/348204621.db2.gz HTKFNESHYZOPHH-NSHDSACASA-N 0 3 246.282 0.146 20 0 BCADHN CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)[C@H](C)N ZINC000595259417 348205760 /nfs/dbraw/zinc/20/57/60/348205760.db2.gz MMGKJZPPRNWFJW-YGOYTEALSA-N 0 3 242.319 0.572 20 0 BCADHN CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)CNC ZINC000595259079 348205815 /nfs/dbraw/zinc/20/58/15/348205815.db2.gz HGSDSGBFPLKEEW-BXKDBHETSA-N 0 3 242.319 0.444 20 0 BCADHN CC[C@H](CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)OC ZINC000419257943 192115866 /nfs/dbraw/zinc/11/58/66/192115866.db2.gz MWWKQWCWTZCUKK-QCNOEVLYSA-N 0 3 240.347 0.997 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[C@H]1C ZINC000419244689 192114198 /nfs/dbraw/zinc/11/41/98/192114198.db2.gz UTXZWDSVLNLKQH-BBBLOLIVSA-N 0 3 241.335 0.002 20 0 BCADHN CC[C@@H](CN1C[C@@H](C)N(CCO)[C@@H](C)C1)OC ZINC000419292566 192118622 /nfs/dbraw/zinc/11/86/22/192118622.db2.gz TVTRUUPRKCLMOX-XQQFMLRXSA-N 0 3 244.379 0.798 20 0 BCADHN C[N@@H+](CCC(N)=O)Cc1ncccc1[O-] ZINC000563844407 323180578 /nfs/dbraw/zinc/18/05/78/323180578.db2.gz XCTOBQOGRDUXRV-UHFFFAOYSA-N 0 3 209.249 0.094 20 0 BCADHN CC[C@H](C)N(CC)CC(=O)NC(N)=O ZINC000595593107 348278359 /nfs/dbraw/zinc/27/83/59/348278359.db2.gz NRLJSJCVNMMKDC-ZETCQYMHSA-N 0 3 201.270 0.302 20 0 BCADHN CC[C@H](CN(CCO)[C@@H]1CCO[C@H]1C)OC ZINC000419289375 192117643 /nfs/dbraw/zinc/11/76/43/192117643.db2.gz ITZLDQQKARWEHY-QJPTWQEYSA-N 0 3 231.336 0.883 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@H]1CCCN1C ZINC000595659306 348298860 /nfs/dbraw/zinc/29/88/60/348298860.db2.gz LVGGWYJLSBHIIF-OUAUKWLOSA-N 0 3 242.319 0.001 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H]1COC(C)(C)C1 ZINC000595660062 348299468 /nfs/dbraw/zinc/29/94/68/348299468.db2.gz RMQZHPFCSJNEJU-KXUCPTDWSA-N 0 3 243.303 0.474 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NCCOCC(C)C ZINC000595660559 348299571 /nfs/dbraw/zinc/29/95/71/348299571.db2.gz ZQKZBIWHUAPBKN-WDEREUQCSA-N 0 3 245.319 0.579 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NCCC[C@@H](C)O ZINC000595659682 348299702 /nfs/dbraw/zinc/29/97/02/348299702.db2.gz PPGXTYAWLYXVJC-KXUCPTDWSA-N 0 3 231.292 0.068 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@H]1CC[C@H](C)O1 ZINC000595662726 348300228 /nfs/dbraw/zinc/30/02/28/348300228.db2.gz BQBRWQHAKAXWQC-ZRUFSTJUSA-N 0 3 243.303 0.474 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@H]1CC[C@@H](C)O1 ZINC000595662721 348300683 /nfs/dbraw/zinc/30/06/83/348300683.db2.gz BQBRWQHAKAXWQC-CHWFTXMASA-N 0 3 243.303 0.474 20 0 BCADHN COC(=O)C1(CN(C)C[C@@H]2COCCO2)CC1 ZINC000595735413 348318331 /nfs/dbraw/zinc/31/83/31/348318331.db2.gz HNJBWKCGLYNWFG-SNVBAGLBSA-N 0 3 243.303 0.287 20 0 BCADHN Cc1cc(CNCC2(O)CCN(C)CC2)on1 ZINC000397600602 362895533 /nfs/dbraw/zinc/89/55/33/362895533.db2.gz NMLBNXBLQDQTJN-UHFFFAOYSA-N 0 3 239.319 0.529 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CC[C@@H]2C[C@@H]2C1 ZINC000595811047 348350639 /nfs/dbraw/zinc/35/06/39/348350639.db2.gz RYOHOXJOCVBQOS-CKYFFXLPSA-N 0 3 227.304 0.642 20 0 BCADHN CC(C)N1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000082680133 348326993 /nfs/dbraw/zinc/32/69/93/348326993.db2.gz ORNADZXJYDGEKS-VIFPVBQESA-N 0 3 240.269 0.936 20 0 BCADHN CSC[C@@H](O)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000595757525 348331613 /nfs/dbraw/zinc/33/16/13/348331613.db2.gz MQARWYIEHVLOCN-LPEHRKFASA-N 0 3 217.334 0.167 20 0 BCADHN CSC[C@H](O)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000595757505 348332140 /nfs/dbraw/zinc/33/21/40/348332140.db2.gz MQARWYIEHVLOCN-IVZWLZJFSA-N 0 3 217.334 0.167 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@H]([C@@H](C)O)C1 ZINC000535560498 323184617 /nfs/dbraw/zinc/18/46/17/323184617.db2.gz VZRIHIMLKXJCOA-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN Cc1ccn2c(c1)nnc2NC(=O)[C@@H](C)N ZINC000157413469 179413151 /nfs/dbraw/zinc/41/31/51/179413151.db2.gz XWUNDPCEPNNPSH-SSDOTTSWSA-N 0 3 219.248 0.323 20 0 BCADHN CC[C@@H]1CCC[C@H](C)N1CC(=O)NC(N)=O ZINC000595865597 348384848 /nfs/dbraw/zinc/38/48/48/348384848.db2.gz BSXUPXBQBRMHQX-DTWKUNHWSA-N 0 3 227.308 0.834 20 0 BCADHN C[C@@H]1CN(C)CCN1C[C@H](O)CC1(O)CCC1 ZINC000528381260 323185394 /nfs/dbraw/zinc/18/53/94/323185394.db2.gz PNPYFCJFYATKCC-VXGBXAGGSA-N 0 3 242.363 0.288 20 0 BCADHN CCOC[C@@H](O)CN(C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595847577 348355012 /nfs/dbraw/zinc/35/50/12/348355012.db2.gz HLOZHOKGVAOHLJ-AXFHLTTASA-N 0 3 245.319 0.267 20 0 BCADHN CC[C@@H](C)C[C@@H](NC(=O)[C@H](C)NC)C(=O)OC ZINC000595961248 348405370 /nfs/dbraw/zinc/40/53/70/348405370.db2.gz GGBGSGRICAZOCJ-KXUCPTDWSA-N 0 3 244.335 0.688 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H](CO)C1CCC1 ZINC000595963788 348406040 /nfs/dbraw/zinc/40/60/40/348406040.db2.gz UVIDLTCFOUMSNL-VHSXEESVSA-N 0 3 246.376 0.344 20 0 BCADHN COC(=O)CCCN(C)C(=O)[C@H](N)C1CCC1 ZINC000595971441 348407385 /nfs/dbraw/zinc/40/73/85/348407385.db2.gz NBPPJBOVDWIYOA-LLVKDONJSA-N 0 3 242.319 0.525 20 0 BCADHN CNCC(=O)N[C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000595970737 348407546 /nfs/dbraw/zinc/40/75/46/348407546.db2.gz ZGBPSQGMHFXSJM-OTCDBFHCSA-N 0 3 242.319 0.444 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)[C@H](N)C(C)C)C1 ZINC000595974233 348407933 /nfs/dbraw/zinc/40/79/33/348407933.db2.gz CRHFVMNOZDLRFX-HRDYMLBCSA-N 0 3 228.292 0.038 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000595945110 348410703 /nfs/dbraw/zinc/41/07/03/348410703.db2.gz QMGIHVHIVFLELU-GUBZILKMSA-N 0 3 240.303 0.135 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595947294 348411500 /nfs/dbraw/zinc/41/15/00/348411500.db2.gz ZNSWTVNVASEPDW-UTLUCORTSA-N 0 3 242.319 0.252 20 0 BCADHN COC(=O)[C@@H]1CCN(C(=O)C2(N)CC2)C[C@@H]1C ZINC000595992762 348421456 /nfs/dbraw/zinc/42/14/56/348421456.db2.gz UNANAWHNIXJOJN-DTWKUNHWSA-N 0 3 240.303 0.135 20 0 BCADHN CC[C@H](N)C(=O)N[C@](C)(CCF)C(=O)OC ZINC000595976558 348413324 /nfs/dbraw/zinc/41/33/24/348413324.db2.gz SJJPWRUNAPNENN-OIBJUYFYSA-N 0 3 234.271 0.131 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 ZINC000595992963 348421609 /nfs/dbraw/zinc/42/16/09/348421609.db2.gz YVXUBYBNPSYVOD-KYXWUPHJSA-N 0 3 242.319 0.428 20 0 BCADHN CC[C@H](N)C(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595985474 348418839 /nfs/dbraw/zinc/41/88/39/348418839.db2.gz CACRUWBHJZRGIC-YIZRAAEISA-N 0 3 228.292 0.134 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N[C@@]1(C)CC1(C)C ZINC000595984701 348419054 /nfs/dbraw/zinc/41/90/54/348419054.db2.gz ASGUSWFUPZNFNA-PELKAZGASA-N 0 3 242.319 0.572 20 0 BCADHN CN(CCC(=O)NC(N)=O)CC1=CCSC1 ZINC000595887943 348389258 /nfs/dbraw/zinc/38/92/58/348389258.db2.gz ITPAASUTDIYXAJ-UHFFFAOYSA-N 0 3 243.332 0.176 20 0 BCADHN COC(=O)[C@H]1CCCCN1C[C@@H]1CNCCO1 ZINC000595889969 348390014 /nfs/dbraw/zinc/39/00/14/348390014.db2.gz ANOVIMRSMJOMFV-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN CC[C@@H](C)N(CC(=O)OC)C[C@@H]1CNCCO1 ZINC000595893120 348390831 /nfs/dbraw/zinc/39/08/31/348390831.db2.gz PNYRHWHHLUVTPR-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC(=O)[C@@H](N)C(C)C)C1 ZINC000595987904 348420128 /nfs/dbraw/zinc/42/01/28/348420128.db2.gz CRHFVMNOZDLRFX-CIUDSAMLSA-N 0 3 228.292 0.038 20 0 BCADHN CC(C)=CCCN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595902652 348395382 /nfs/dbraw/zinc/39/53/82/348395382.db2.gz CPAVXWTYRSRMGJ-VXGBXAGGSA-N 0 3 237.347 0.587 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)NCC1(C)COC1 ZINC000082694076 348395521 /nfs/dbraw/zinc/39/55/21/348395521.db2.gz HOKFDBIGNDDHPJ-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN COC(=O)CCCN1CC[C@@H](F)[C@H](N)C1 ZINC000595908179 348397458 /nfs/dbraw/zinc/39/74/58/348397458.db2.gz ZKWSLMNRVNVMOK-RKDXNWHRSA-N 0 3 218.272 0.311 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N(C)C[C@@H]1CC1(C)C ZINC000595909968 348398064 /nfs/dbraw/zinc/39/80/64/348398064.db2.gz AKKLZSOXWWGDSG-SFYZADRCSA-N 0 3 227.308 0.548 20 0 BCADHN COCC1(NCC(=O)NC(N)=O)CCCCC1 ZINC000595909648 348398187 /nfs/dbraw/zinc/39/81/87/348398187.db2.gz ARKNJVHURPEOTI-UHFFFAOYSA-N 0 3 243.307 0.120 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N1CC2CC1(C)C2 ZINC000595916345 348400303 /nfs/dbraw/zinc/40/03/03/348400303.db2.gz QHWIOVGFQIWGQQ-QTZUAFFRSA-N 0 3 239.319 0.705 20 0 BCADHN CCOC(=O)CNC(=O)C1(NC2CC2)CCC1 ZINC000595924115 348402229 /nfs/dbraw/zinc/40/22/29/348402229.db2.gz FLWIZVHMXDIYDO-UHFFFAOYSA-N 0 3 240.303 0.340 20 0 BCADHN CCCCN1CCC[C@@H]1C(=O)NCC(=O)OC ZINC000419346965 192125655 /nfs/dbraw/zinc/12/56/55/192125655.db2.gz ORHNQOHSSASOFH-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)[C@H](N)C2CCC2)C1 ZINC000595974532 348403730 /nfs/dbraw/zinc/40/37/30/348403730.db2.gz FHSSFTMNQHQSLM-KXUCPTDWSA-N 0 3 240.303 0.182 20 0 BCADHN COC(=O)c1cc(CNCCOCCF)c[nH]1 ZINC000596057144 348434808 /nfs/dbraw/zinc/43/48/08/348434808.db2.gz HPZQDSHLAMUMNX-UHFFFAOYSA-N 0 3 244.266 0.877 20 0 BCADHN COC(=O)C(C)(C)CCN1CC[C@@H](F)[C@H](N)C1 ZINC000596105231 348440089 /nfs/dbraw/zinc/44/00/89/348440089.db2.gz HRLOCPDBNQUWOO-NXEZZACHSA-N 0 3 246.326 0.947 20 0 BCADHN CNC(=O)NC(=O)CN1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419385400 192134008 /nfs/dbraw/zinc/13/40/08/192134008.db2.gz CEDOGFAEDMYOAC-CIUDSAMLSA-N 0 3 227.308 0.418 20 0 BCADHN CC(C)[C@@H](C)CNC(=O)C(=O)N(C)[C@H](C)CN ZINC000419364758 192127573 /nfs/dbraw/zinc/12/75/73/192127573.db2.gz QEOYQHNXNBZBNZ-VHSXEESVSA-N 0 3 243.351 0.200 20 0 BCADHN CCOC[C@H](O)CN(CC(N)=O)C1CCCC1 ZINC000603556210 349992584 /nfs/dbraw/zinc/99/25/84/349992584.db2.gz LCWKNHQHNUBRPJ-LLVKDONJSA-N 0 3 244.335 0.114 20 0 BCADHN CCOC[C@@H](O)CN(CC(N)=O)C1CCCC1 ZINC000603556211 349992651 /nfs/dbraw/zinc/99/26/51/349992651.db2.gz LCWKNHQHNUBRPJ-NSHDSACASA-N 0 3 244.335 0.114 20 0 BCADHN CCS(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000082717556 348491386 /nfs/dbraw/zinc/49/13/86/348491386.db2.gz HNCVMGJRCKJTHK-VIFPVBQESA-N 0 3 220.338 0.362 20 0 BCADHN CNS(=O)(=O)CCN1CCCC[C@@H]1C ZINC000621245749 349998364 /nfs/dbraw/zinc/99/83/64/349998364.db2.gz UVISDJDSWNQGKT-VIFPVBQESA-N 0 3 220.338 0.410 20 0 BCADHN CC[C@H](NC(=O)C(=O)NCCN)C(C)(C)C ZINC000419683683 192144137 /nfs/dbraw/zinc/14/41/37/192144137.db2.gz VSXMATOKJRWDAH-QMMMGPOBSA-N 0 3 229.324 0.002 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N[C@@H]1CC[C@@H](C)CC1 ZINC000419771896 192144703 /nfs/dbraw/zinc/14/47/03/192144703.db2.gz MIFJXSRMDWUOJB-GUBZILKMSA-N 0 3 241.335 0.145 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000419816684 192145710 /nfs/dbraw/zinc/14/57/10/192145710.db2.gz QSEAKCSOZRXTMX-IVZWLZJFSA-N 0 3 241.335 0.145 20 0 BCADHN Cc1cc(F)ccc1CN[C@H](CO)[C@@H](C)O ZINC000419802417 192146029 /nfs/dbraw/zinc/14/60/29/192146029.db2.gz DGASESMVVFHQIT-BXKDBHETSA-N 0 3 227.279 0.965 20 0 BCADHN CN(C)c1ncc(CN[C@H]2C[C@@](C)(O)C2)n1C ZINC000419827907 192146664 /nfs/dbraw/zinc/14/66/64/192146664.db2.gz FXAWXTCRFOTFTD-WVSHTKLVSA-N 0 3 238.335 0.489 20 0 BCADHN CC[C@@H](C(=O)NCCN(C)CC)[C@H](C)O ZINC000419877537 192147553 /nfs/dbraw/zinc/14/75/53/192147553.db2.gz RBFSTSDYXCPYAT-VHSXEESVSA-N 0 3 216.325 0.461 20 0 BCADHN CC[C@H](C(=O)NC[C@H](C)N(C)C)[C@@H](C)O ZINC000419882168 192147902 /nfs/dbraw/zinc/14/79/02/192147902.db2.gz LYXFWOKRPWAHQB-AEJSXWLSSA-N 0 3 216.325 0.460 20 0 BCADHN CC[C@H](C(=O)N1CCN(C)CC[C@H]1C)[C@H](C)O ZINC000419880486 192147925 /nfs/dbraw/zinc/14/79/25/192147925.db2.gz VGLPWPVPXLQEEM-WOPDTQHZSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](C(=O)N1CCN(C)CC[C@@H]1C)[C@@H](C)O ZINC000419880484 192148136 /nfs/dbraw/zinc/14/81/36/192148136.db2.gz VGLPWPVPXLQEEM-TUAOUCFPSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@H](C(=O)N(C)CCN1CCCC1)[C@@H](C)O ZINC000419899977 192148738 /nfs/dbraw/zinc/14/87/38/192148738.db2.gz RSGZRKPSXFLDNF-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1CCCN1C)[C@H](C)O ZINC000419906686 192149005 /nfs/dbraw/zinc/14/90/05/192149005.db2.gz WVHSRFWBRZEPAB-AXFHLTTASA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCCN1C)[C@@H](C)O ZINC000419906689 192149071 /nfs/dbraw/zinc/14/90/71/192149071.db2.gz WVHSRFWBRZEPAB-VWYCJHECSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCCN(C)[C@H]1C)[C@H](C)O ZINC000419950335 192151597 /nfs/dbraw/zinc/15/15/97/192151597.db2.gz HCTABOSJHWJKOR-FIQHERPVSA-N 0 3 242.363 0.992 20 0 BCADHN C[C@@H]1C[C@H]1CC(=O)NC[C@](C)(O)CCN(C)C ZINC000420003514 192152236 /nfs/dbraw/zinc/15/22/36/192152236.db2.gz VBZVRXBLEXRTFZ-NTZNESFSSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N(C)CC1CCCC1 ZINC000420009932 192153083 /nfs/dbraw/zinc/15/30/83/192153083.db2.gz WUHVDRVVWBGOAH-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN CC[C@H]1[C@@H](C)CCN1C(=O)C(=O)N[C@@H](C)CN ZINC000420018413 192153208 /nfs/dbraw/zinc/15/32/08/192153208.db2.gz PICFJRCEDSAHSD-GUBZILKMSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H]1C[C@H](C)CN1C(=O)C(=O)N[C@H](C)CN ZINC000420016702 192153440 /nfs/dbraw/zinc/15/34/40/192153440.db2.gz TYSHCJZNGGSKQM-AEJSXWLSSA-N 0 3 241.335 0.097 20 0 BCADHN CCCCN(C(=O)C(=O)N[C@@H](C)CN)C1CC1 ZINC000420011258 192153535 /nfs/dbraw/zinc/15/35/35/192153535.db2.gz GMTJHTCGDTZWDH-VIFPVBQESA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1C(=O)C(=O)N[C@H](C)CN ZINC000420016705 192153777 /nfs/dbraw/zinc/15/37/77/192153777.db2.gz TYSHCJZNGGSKQM-OPRDCNLKSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H]1[C@H](C)CCN1C(=O)C(=O)N[C@@H](C)CN ZINC000420018416 192153865 /nfs/dbraw/zinc/15/38/65/192153865.db2.gz PICFJRCEDSAHSD-UTLUCORTSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N(C)C1CC1 ZINC000419981897 192154465 /nfs/dbraw/zinc/15/44/65/192154465.db2.gz UWQIDGAXVXWONT-VIFPVBQESA-N 0 3 241.335 0.097 20 0 BCADHN Cc1cnc(CNCCCn2ccnn2)n1C ZINC000341271471 179604235 /nfs/dbraw/zinc/60/42/35/179604235.db2.gz LVTYWKATCQFYQW-UHFFFAOYSA-N 0 3 234.307 0.500 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N(C)CC1CCCC1 ZINC000420023045 192158524 /nfs/dbraw/zinc/15/85/24/192158524.db2.gz WUHVDRVVWBGOAH-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN CCCN(CCC)C(=O)C(=O)N[C@@H](C)CN ZINC000420035981 192158964 /nfs/dbraw/zinc/15/89/64/192158964.db2.gz ZSFYGDAEGKOSTI-VIFPVBQESA-N 0 3 229.324 0.098 20 0 BCADHN CC(C)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000037503407 348627864 /nfs/dbraw/zinc/62/78/64/348627864.db2.gz WYOACASHWDQQRR-RYUDHWBXSA-N 0 3 212.337 0.926 20 0 BCADHN CCN(CCN1C(=O)CN(C)C1=O)C1CC1 ZINC000348874704 538009582 /nfs/dbraw/zinc/00/95/82/538009582.db2.gz JISIGOUSIRIHTM-UHFFFAOYSA-N 0 3 225.292 0.365 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NCc1ccn(C)c1 ZINC000597187028 348683709 /nfs/dbraw/zinc/68/37/09/348683709.db2.gz MURQAJBITGCQEU-WDEREUQCSA-N 0 3 238.287 0.445 20 0 BCADHN COC(=O)C(C)(C)CCNC/C=C\CO ZINC000597186223 348683837 /nfs/dbraw/zinc/68/38/37/348683837.db2.gz GGEDGBAMRBOFSD-PLNGDYQASA-N 0 3 215.293 0.714 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H]1CC[C@H]1SC ZINC000597187565 348684438 /nfs/dbraw/zinc/68/44/38/348684438.db2.gz OCJJTJWNBGZZIE-AXTSPUMRSA-N 0 3 245.344 0.801 20 0 BCADHN COC(=O)[C@H]1C[C@H](NCc2[nH]ncc2C)C1 ZINC000597244172 348688403 /nfs/dbraw/zinc/68/84/03/348688403.db2.gz JYCCANLNMCGYJZ-KYZUINATSA-N 0 3 223.276 0.759 20 0 BCADHN COC(=O)[C@H]1C[C@H](NCc2c(C)cnn2C)C1 ZINC000597245802 348689104 /nfs/dbraw/zinc/68/91/04/348689104.db2.gz OSBNUQHTVIAOCB-MGCOHNPYSA-N 0 3 237.303 0.770 20 0 BCADHN COC(=O)c1cc(CNC2([C@H](C)O)CC2)c[nH]1 ZINC000597233940 348700222 /nfs/dbraw/zinc/70/02/22/348700222.db2.gz DCSKLNJBNBFQBB-QMMMGPOBSA-N 0 3 238.287 0.804 20 0 BCADHN COC(=O)c1cc(CNC2([C@@H](C)O)CC2)c[nH]1 ZINC000597233939 348700263 /nfs/dbraw/zinc/70/02/63/348700263.db2.gz DCSKLNJBNBFQBB-MRVPVSSYSA-N 0 3 238.287 0.804 20 0 BCADHN COC(=O)c1ccc(CNCCOCCF)[nH]1 ZINC000597252467 348708416 /nfs/dbraw/zinc/70/84/16/348708416.db2.gz IYQCRDHCWCDMQD-UHFFFAOYSA-N 0 3 244.266 0.877 20 0 BCADHN CSC1(C(=O)N[C@@H](CO)CN(C)C)CCC1 ZINC000597654269 348775541 /nfs/dbraw/zinc/77/55/41/348775541.db2.gz RHXLSZMIQIQTJR-SECBINFHSA-N 0 3 246.376 0.311 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)N(C)C[C@H]2CCCN2C)CO1 ZINC000421708923 192373935 /nfs/dbraw/zinc/37/39/35/192373935.db2.gz BOYNGWGLXKXQOO-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN OCCN1CCN(C[C@@H]2CCCC[C@H]2O)CC1 ZINC000053881458 348750028 /nfs/dbraw/zinc/75/00/28/348750028.db2.gz KMTAITQVQBSHNM-QWHCGFSZSA-N 0 3 242.363 0.147 20 0 BCADHN CO[C@@H](C(=O)N(C)C[C@H]1CCCN1C)C1CC1 ZINC000421709773 192374199 /nfs/dbraw/zinc/37/41/99/192374199.db2.gz HAMWGHPOSSLFEQ-VXGBXAGGSA-N 0 3 240.347 0.964 20 0 BCADHN CCO[C@H](C)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421705718 192374325 /nfs/dbraw/zinc/37/43/25/192374325.db2.gz SALKRAFAIJSQAX-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN COC[C@@H](C)CN1CCN2CCOC[C@H]2C1 ZINC000527357891 323197826 /nfs/dbraw/zinc/19/78/26/323197826.db2.gz SJCJIOAQSFGTFE-NWDGAFQWSA-N 0 3 228.336 0.285 20 0 BCADHN CN1CCC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC000597780231 348816037 /nfs/dbraw/zinc/81/60/37/348816037.db2.gz QFAQVGYWNUYVMU-SNVBAGLBSA-N 0 3 207.277 0.839 20 0 BCADHN CN1CCC[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000597780230 348816095 /nfs/dbraw/zinc/81/60/95/348816095.db2.gz QFAQVGYWNUYVMU-JTQLQIEISA-N 0 3 207.277 0.839 20 0 BCADHN CCCN(CCN(C)C)C(=O)C1(C(N)=O)CC1 ZINC000598121907 348892013 /nfs/dbraw/zinc/89/20/13/348892013.db2.gz HJQDVZBPUYWZRK-UHFFFAOYSA-N 0 3 241.335 0.052 20 0 BCADHN CN[C@@H](C)C(=O)NCCCc1c[nH]nc1C ZINC000054076882 348879911 /nfs/dbraw/zinc/87/99/11/348879911.db2.gz GUGHBZRNRQNZON-VIFPVBQESA-N 0 3 224.308 0.375 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCc2sccc2C1 ZINC000050456298 348888551 /nfs/dbraw/zinc/88/85/51/348888551.db2.gz XMBDTYWPTCTFND-DTWKUNHWSA-N 0 3 222.313 0.980 20 0 BCADHN CN[C@@H](C)C(=O)N(C)CCc1ccncc1 ZINC000054074483 348889608 /nfs/dbraw/zinc/88/96/08/348889608.db2.gz SNMFHUZSKKMDMD-JTQLQIEISA-N 0 3 221.304 0.690 20 0 BCADHN CCCN1CC[C@H](NC(=O)CC(=O)OCC)C1 ZINC000598342476 348933043 /nfs/dbraw/zinc/93/30/43/348933043.db2.gz NRWKGDAHQDBMRO-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN CCCN1CC[C@H](NC(=O)CSC)C1 ZINC000598342806 348933899 /nfs/dbraw/zinc/93/38/99/348933899.db2.gz NCQAWXPBLUZEOF-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN CC1(C)C[C@@H](N[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000070342889 490209675 /nfs/dbraw/zinc/20/96/75/490209675.db2.gz CDIWYKUIYRVRCC-VHSXEESVSA-N 0 3 247.360 0.721 20 0 BCADHN CC[C@@H]1CN(C(=O)CSC)C[C@H](C)N1 ZINC000598536230 348990618 /nfs/dbraw/zinc/99/06/18/348990618.db2.gz PERFDWKNUZYDPU-DTWKUNHWSA-N 0 3 216.350 0.948 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H](C)CCN2)CO1 ZINC000401988802 349040408 /nfs/dbraw/zinc/04/04/08/349040408.db2.gz BZDSDYXQRYOBHE-DBIOUOCHSA-N 0 3 226.320 0.668 20 0 BCADHN COCCN(CCN(C)C)C(=O)[C@@H]1CC12CC2 ZINC000421762609 192380536 /nfs/dbraw/zinc/38/05/36/192380536.db2.gz NJEIJSUWEIBWLX-NSHDSACASA-N 0 3 240.347 0.823 20 0 BCADHN Cc1cnn([C@@H]2CCCN(C(=O)[C@@H](C)N)C2)c1 ZINC000168358894 179744991 /nfs/dbraw/zinc/74/49/91/179744991.db2.gz DCNKXSJFORBJBC-GHMZBOCLSA-N 0 3 236.319 0.702 20 0 BCADHN CC[C@@H](CO)N1CCN(CCCF)CC1 ZINC000134128495 349029240 /nfs/dbraw/zinc/02/92/40/349029240.db2.gz HEOUFKYXYVWSDF-NSHDSACASA-N 0 3 218.316 0.735 20 0 BCADHN CC[S@@](=O)CC(=O)N[C@@H]1CCC[C@H]1N(C)C ZINC000598700349 349033420 /nfs/dbraw/zinc/03/34/20/349033420.db2.gz YFAZXDURUHKYQU-XIZWVBILSA-N 0 3 246.376 0.354 20 0 BCADHN O=C(c1ccccc1[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209371639 349038046 /nfs/dbraw/zinc/03/80/46/349038046.db2.gz ZDYJZBXSEHFMEJ-KOLCDFICSA-N 0 3 232.283 0.826 20 0 BCADHN Cc1c[nH]c(CN[C@@H]2CCC[C@@H]2CO)n1 ZINC000628302134 349096107 /nfs/dbraw/zinc/09/61/07/349096107.db2.gz RSZTYFTVZUZXOD-NXEZZACHSA-N 0 3 209.293 0.969 20 0 BCADHN Cc1nsc(NC(=O)[C@H](N)CC(F)F)n1 ZINC000309041830 323205655 /nfs/dbraw/zinc/20/56/55/323205655.db2.gz KKKWWDUYMUGILK-SCSAIBSYSA-N 0 3 236.247 0.768 20 0 BCADHN Cc1cc(CNC[C@@](C)(O)CO)ccn1 ZINC000623511948 362937920 /nfs/dbraw/zinc/93/79/20/362937920.db2.gz NAFKIUODQKHCQV-LLVKDONJSA-N 0 3 210.277 0.223 20 0 BCADHN COCCNC(=O)N(C)C[C@H]1CCCN1C ZINC000421814906 192387891 /nfs/dbraw/zinc/38/78/91/192387891.db2.gz RZGFANVSYQHIJD-SNVBAGLBSA-N 0 3 229.324 0.368 20 0 BCADHN CO[C@@H](C)C(=O)NCCN1CCCC1 ZINC000055036328 349125333 /nfs/dbraw/zinc/12/53/33/349125333.db2.gz DWNJCNCBWSSJIB-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)C1(COC)CC1 ZINC000599339053 349152218 /nfs/dbraw/zinc/15/22/18/349152218.db2.gz ZWUXPRLSTHLRLJ-SNVBAGLBSA-N 0 3 245.319 0.411 20 0 BCADHN COC1CC(NCC(=O)NC2CCCC2)C1 ZINC000221067610 490229207 /nfs/dbraw/zinc/22/92/07/490229207.db2.gz GDQOEHNQNZTXPY-UHFFFAOYSA-N 0 3 226.320 0.812 20 0 BCADHN COC(=O)CCCCN(CC(N)=O)C(C)(C)C ZINC000599312188 349145619 /nfs/dbraw/zinc/14/56/19/349145619.db2.gz RXWSDLGIFCFQRC-UHFFFAOYSA-N 0 3 244.335 0.916 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000251589492 349188205 /nfs/dbraw/zinc/18/82/05/349188205.db2.gz ZFIPMSIYEBOQRO-UKKRHICBSA-N 0 3 224.304 0.137 20 0 BCADHN COC(=O)CCCCN(C)C(C)(C)C(N)=O ZINC000599430909 349188733 /nfs/dbraw/zinc/18/87/33/349188733.db2.gz FPJHSFDQQNBPOY-UHFFFAOYSA-N 0 3 230.308 0.525 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)CC(C)(C)CO ZINC000599432208 349189673 /nfs/dbraw/zinc/18/96/73/349189673.db2.gz MAHSTVCLNJMDQY-SNVBAGLBSA-N 0 3 247.335 0.251 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCC[C@@]1(C)CO ZINC000599364514 349160886 /nfs/dbraw/zinc/16/08/86/349160886.db2.gz LABGPCOOTKOOGG-PWSUYJOCSA-N 0 3 245.319 0.147 20 0 BCADHN C[C@@H](O)CCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000532279622 323213217 /nfs/dbraw/zinc/21/32/17/323213217.db2.gz QEEFMZXSIZGTGW-HBNTYKKESA-N 0 3 243.351 0.539 20 0 BCADHN CCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252891800 535093512 /nfs/dbraw/zinc/09/35/12/535093512.db2.gz LVZPDBWRRPJZHF-WDEREUQCSA-N 0 3 241.335 0.559 20 0 BCADHN COCCN(CCO)C[C@H]1CCCC[C@H]1O ZINC000252913909 349215430 /nfs/dbraw/zinc/21/54/30/349215430.db2.gz PJBKUWZMFQZRTG-VXGBXAGGSA-N 0 3 231.336 0.478 20 0 BCADHN C[C@H](CO)[C@H](C)NC[C@H](O)C(F)(F)F ZINC000252943587 349216109 /nfs/dbraw/zinc/21/61/09/349216109.db2.gz KPUUWQFQSAYJLW-VQVTYTSYSA-N 0 3 215.215 0.516 20 0 BCADHN COC(=O)[C@]1(OC)CCN(CC2(C)COC2)C1 ZINC000599558528 349217005 /nfs/dbraw/zinc/21/70/05/349217005.db2.gz KNLJQTPKWJQFSY-LBPRGKRZSA-N 0 3 243.303 0.287 20 0 BCADHN COC(=O)[C@]1(OC)CCN(CC2(O)CCC2)C1 ZINC000599557973 349217172 /nfs/dbraw/zinc/21/71/72/349217172.db2.gz CJGPTEFAYFLXQF-LBPRGKRZSA-N 0 3 243.303 0.165 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(CC2(O)CCC2)C1 ZINC000599557972 349217440 /nfs/dbraw/zinc/21/74/40/349217440.db2.gz CJGPTEFAYFLXQF-GFCCVEGCSA-N 0 3 243.303 0.165 20 0 BCADHN CCOCCCN1CC[C@@](OC)(C(=O)OC)C1 ZINC000599564784 349220112 /nfs/dbraw/zinc/22/01/12/349220112.db2.gz XFEHLMNIPIUHIU-LBPRGKRZSA-N 0 3 245.319 0.677 20 0 BCADHN COC(=O)[C@]1(OC)CCN(C[C@@H]2CCCO2)C1 ZINC000599566646 349220155 /nfs/dbraw/zinc/22/01/55/349220155.db2.gz GWZUVBPWHKYYCE-JQWIXIFHSA-N 0 3 243.303 0.429 20 0 BCADHN COC(=O)[C@@H]1CCN(CCO)[C@@H]2CCC[C@@H]21 ZINC000599656184 349235145 /nfs/dbraw/zinc/23/51/45/349235145.db2.gz HMUYAMDWZNLDFH-GMTAPVOTSA-N 0 3 227.304 0.642 20 0 BCADHN COC(=O)[C@@H]1CCN(CCO)[C@H]2CCC[C@@H]21 ZINC000599656186 349235210 /nfs/dbraw/zinc/23/52/10/349235210.db2.gz HMUYAMDWZNLDFH-MXWKQRLJSA-N 0 3 227.304 0.642 20 0 BCADHN C[C@@H](CO)CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599633166 349236923 /nfs/dbraw/zinc/23/69/23/349236923.db2.gz COISTWQJLSAQBZ-OZWUEAAUSA-N 0 3 231.361 0.600 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C[C@@H](C)O)C1CC1 ZINC000599454925 349199606 /nfs/dbraw/zinc/19/96/06/349199606.db2.gz YMHQXJPLFQPIQJ-MWLCHTKSSA-N 0 3 245.319 0.146 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)NC)C1(C)C ZINC000082922887 349202633 /nfs/dbraw/zinc/20/26/33/349202633.db2.gz UTXCWEVWKPTIAI-IVZWLZJFSA-N 0 3 228.336 0.914 20 0 BCADHN COCCOC[C@@H](C)NCc1cn[nH]c1 ZINC000308956782 349202756 /nfs/dbraw/zinc/20/27/56/349202756.db2.gz QWIOUXMNBSUSGV-SECBINFHSA-N 0 3 213.281 0.551 20 0 BCADHN OCC1(CN2CCC(C(F)F)CC2)COC1 ZINC000309060131 323221186 /nfs/dbraw/zinc/22/11/86/323221186.db2.gz VDNSEORAMDLJDJ-UHFFFAOYSA-N 0 3 235.274 0.972 20 0 BCADHN C/C=C\C[C@@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC000599692396 349246677 /nfs/dbraw/zinc/24/66/77/349246677.db2.gz WBTGQATZMULPCR-MXQLGCADSA-N 0 3 239.319 0.860 20 0 BCADHN O=C(NC[C@H]1CNCCO1)Nc1cccnc1 ZINC000623057745 349341908 /nfs/dbraw/zinc/34/19/08/349341908.db2.gz FVHJJAGXNGDACH-SNVBAGLBSA-N 0 3 236.275 0.192 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N(CC)CCCO ZINC000160730307 349314938 /nfs/dbraw/zinc/31/49/38/349314938.db2.gz DIDJSZLWYNXIHK-WDEREUQCSA-N 0 3 230.352 0.994 20 0 BCADHN CCN(C)C[C@H](O)CSc1nccn1C ZINC000309024876 349317290 /nfs/dbraw/zinc/31/72/90/349317290.db2.gz XIBSHSJHNWAEQM-VIFPVBQESA-N 0 3 229.349 0.825 20 0 BCADHN COc1cc(CN2CC[C@@H](CO)C2)ccn1 ZINC000082946129 349356852 /nfs/dbraw/zinc/35/68/52/349356852.db2.gz IGXFHGCIWMUDFM-LLVKDONJSA-N 0 3 222.288 0.904 20 0 BCADHN CCCc1nsc(NC(=O)CNC)n1 ZINC000309072853 323226045 /nfs/dbraw/zinc/22/60/45/323226045.db2.gz GQVKQYCFLKHJRC-UHFFFAOYSA-N 0 3 214.294 0.649 20 0 BCADHN O=C(C[C@@H]1CSCCN1)NCc1cocn1 ZINC000397914865 362946724 /nfs/dbraw/zinc/94/67/24/362946724.db2.gz ZYXILVLXSCZMFN-MRVPVSSYSA-N 0 3 241.316 0.386 20 0 BCADHN CCCC1(CNc2nc(N)nc(N)n2)CCC1 ZINC000624033827 349396515 /nfs/dbraw/zinc/39/65/15/349396515.db2.gz RXZHARSSJJINCF-UHFFFAOYSA-N 0 3 236.323 0.501 20 0 BCADHN CCOC[C@H](O)CNCc1cc(C)[nH]n1 ZINC000309041949 349368350 /nfs/dbraw/zinc/36/83/50/349368350.db2.gz LTIUNHNISFURIG-SNVBAGLBSA-N 0 3 213.281 0.205 20 0 BCADHN CCOC[C@H](O)CNCc1cc(C)n[nH]1 ZINC000309041949 349368353 /nfs/dbraw/zinc/36/83/53/349368353.db2.gz LTIUNHNISFURIG-SNVBAGLBSA-N 0 3 213.281 0.205 20 0 BCADHN CCOC[C@@H](O)CNCc1cc(C)[nH]n1 ZINC000309041948 349368581 /nfs/dbraw/zinc/36/85/81/349368581.db2.gz LTIUNHNISFURIG-JTQLQIEISA-N 0 3 213.281 0.205 20 0 BCADHN CCOC[C@@H](O)CNCc1cc(C)n[nH]1 ZINC000309041948 349368583 /nfs/dbraw/zinc/36/85/83/349368583.db2.gz LTIUNHNISFURIG-JTQLQIEISA-N 0 3 213.281 0.205 20 0 BCADHN CC[C@H](O)CNCc1cnccc1OC ZINC000309033541 349369584 /nfs/dbraw/zinc/36/95/84/349369584.db2.gz DFTQQMYIDFMAAE-JTQLQIEISA-N 0 3 210.277 0.951 20 0 BCADHN CCc1nc(C(=O)N2C[C@@H](C)NC[C@H]2C)no1 ZINC000623058857 349381880 /nfs/dbraw/zinc/38/18/80/349381880.db2.gz MDWUTALDRXJIBQ-HTQZYQBOSA-N 0 3 238.291 0.454 20 0 BCADHN Cc1nc(C)n(C[C@@H]2CCCN2CCO)n1 ZINC000363488801 179923198 /nfs/dbraw/zinc/92/31/98/179923198.db2.gz MDCDTLDAGGIHGH-NSHDSACASA-N 0 3 224.308 0.352 20 0 BCADHN CNCC(=O)N1CCCC[C@@H]1C(F)F ZINC000638703431 352541828 /nfs/dbraw/zinc/54/18/28/352541828.db2.gz HHXNKYUTDOILFB-SSDOTTSWSA-N 0 3 206.236 0.852 20 0 BCADHN CN(C)CCN(C)c1cc(C#N)cnn1 ZINC000396944070 350005058 /nfs/dbraw/zinc/00/50/58/350005058.db2.gz ZTDPAXITSWJUPI-UHFFFAOYSA-N 0 3 205.265 0.346 20 0 BCADHN CC(C)(C)[C@@H](CN)NC(=O)C(=O)c1ccc[nH]1 ZINC000623068577 350007813 /nfs/dbraw/zinc/00/78/13/350007813.db2.gz DRKWSEIWYDUSIO-SECBINFHSA-N 0 3 237.303 0.687 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)OC(C)(C)C)C1 ZINC000216682982 350010388 /nfs/dbraw/zinc/01/03/88/350010388.db2.gz UWWSBBIZLNSCFS-LLVKDONJSA-N 0 3 230.308 0.578 20 0 BCADHN CN1CCCN(c2cc(C#N)cnn2)CC1 ZINC000396987028 350023728 /nfs/dbraw/zinc/02/37/28/350023728.db2.gz MYLSNUDZQJXZAJ-UHFFFAOYSA-N 0 3 217.276 0.490 20 0 BCADHN Cc1cnc(C(=O)N[C@H](CN)C(F)(F)F)o1 ZINC000623069003 350025526 /nfs/dbraw/zinc/02/55/26/350025526.db2.gz RLXBLDIMEUMNGW-RXMQYKEDSA-N 0 3 237.181 0.602 20 0 BCADHN COC(=O)c1ccc(CN[C@H](C)CCO)n1C ZINC000602004394 349411617 /nfs/dbraw/zinc/41/16/17/349411617.db2.gz FOVLOCUAZPKHDC-SECBINFHSA-N 0 3 240.303 0.672 20 0 BCADHN CCOCCNCc1ccc(C(=O)OC)n1C ZINC000602003155 349411647 /nfs/dbraw/zinc/41/16/47/349411647.db2.gz FQEFVMNVEUBZCF-UHFFFAOYSA-N 0 3 240.303 0.938 20 0 BCADHN COC(=O)c1ccc(CNCCCCO)n1C ZINC000602015937 349416908 /nfs/dbraw/zinc/41/69/08/349416908.db2.gz AKWGHLDFKNTPLA-UHFFFAOYSA-N 0 3 240.303 0.674 20 0 BCADHN CC(=O)c1csc(NC(=O)CCN)n1 ZINC000070886021 350072928 /nfs/dbraw/zinc/07/29/28/350072928.db2.gz SISJWDDOGDQOJW-UHFFFAOYSA-N 0 3 213.262 0.633 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000131071774 191010634 /nfs/dbraw/zinc/01/06/34/191010634.db2.gz CIWUREFNGARTFL-SNVBAGLBSA-N 0 3 241.335 0.064 20 0 BCADHN COC[C@H](O)CNCCC(F)(F)F ZINC000070650779 350039093 /nfs/dbraw/zinc/03/90/93/350039093.db2.gz IAUNCNVRGZSHQB-ZCFIWIBFSA-N 0 3 201.188 0.536 20 0 BCADHN CC[C@@H]1CCCN(CCN2C(=O)CNC2=O)C1 ZINC000127121892 191008282 /nfs/dbraw/zinc/00/82/82/191008282.db2.gz QKQIGNMFOQBMLY-SNVBAGLBSA-N 0 3 239.319 0.660 20 0 BCADHN CN1CCC(NC(=O)c2cn(C3CC3)nn2)CC1 ZINC000623528886 362948285 /nfs/dbraw/zinc/94/82/85/362948285.db2.gz JNUOHQJBGNNZFT-UHFFFAOYSA-N 0 3 249.318 0.437 20 0 BCADHN C[C@@H]1CCN(C(=O)C(=O)c2ccc[nH]2)[C@H](CN)C1 ZINC000623073147 350108276 /nfs/dbraw/zinc/10/82/76/350108276.db2.gz JZQZQKRMUTXYGH-ZJUUUORDSA-N 0 3 249.314 0.783 20 0 BCADHN CN(C)CCNC(=O)Nc1cccnc1 ZINC000074753446 490307563 /nfs/dbraw/zinc/30/75/63/490307563.db2.gz PLPUXRVMGUUXGW-UHFFFAOYSA-N 0 3 208.265 0.765 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@H](C)N(C)C1CC1 ZINC000132152897 191026963 /nfs/dbraw/zinc/02/69/63/191026963.db2.gz HQJZCISGCVANDJ-ZJUUUORDSA-N 0 3 248.392 0.492 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)C(F)(F)F)C[C@H](C)N1C ZINC000219278901 350119673 /nfs/dbraw/zinc/11/96/73/350119673.db2.gz TULANFGJOQGELR-HRDYMLBCSA-N 0 3 240.269 0.934 20 0 BCADHN Cc1nnc([C@H]2CCCN([C@@H](C)C(N)=O)C2)[nH]1 ZINC000268445484 180054563 /nfs/dbraw/zinc/05/45/63/180054563.db2.gz HXRLBVDNZQELLX-CBAPKCEASA-N 0 3 237.307 0.166 20 0 BCADHN CCOCCN[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132112004 191024810 /nfs/dbraw/zinc/02/48/10/191024810.db2.gz MKCRWGIMROAWTI-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN COCCN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132087263 191025031 /nfs/dbraw/zinc/02/50/31/191025031.db2.gz JZKUEGOISDCFFP-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@H]1CCCN1C ZINC000132124800 191025688 /nfs/dbraw/zinc/02/56/88/191025688.db2.gz WSSUOPLWUZODNP-VHSXEESVSA-N 0 3 234.365 0.103 20 0 BCADHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCCCO ZINC000132077717 191025805 /nfs/dbraw/zinc/02/58/05/191025805.db2.gz IIDFVVXFPJRCAK-ZJUUUORDSA-N 0 3 235.349 0.314 20 0 BCADHN O=C(NC1CCCC1)[C@]1(F)CCNC1 ZINC000219916522 350149010 /nfs/dbraw/zinc/14/90/10/350149010.db2.gz CVUZSGQHQZHSBD-JTQLQIEISA-N 0 3 200.257 0.747 20 0 BCADHN CCC(CC)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000668505884 490341347 /nfs/dbraw/zinc/34/13/47/490341347.db2.gz DTAPFUAIWAEXCR-NXEZZACHSA-N 0 3 235.349 0.577 20 0 BCADHN Cc1nc2n(n1)CCN(C(=O)[C@@H]1CCCCN1)C2 ZINC000269279595 180111522 /nfs/dbraw/zinc/11/15/22/180111522.db2.gz ZNWBRLRKZWUJHX-JTQLQIEISA-N 0 3 249.318 0.071 20 0 BCADHN CC[C@@](C)(NCc1ccc(C(N)=O)cc1)C(N)=O ZINC000133798469 191042378 /nfs/dbraw/zinc/04/23/78/191042378.db2.gz SIKGJTCJTGBSQN-CYBMUJFWSA-N 0 3 249.314 0.529 20 0 BCADHN Cc1nc2ccccc2n1CCNC(=O)CN ZINC000040828668 180104357 /nfs/dbraw/zinc/10/43/57/180104357.db2.gz VGOMPCQZKXEDLX-UHFFFAOYSA-N 0 3 232.287 0.420 20 0 BCADHN CN1CCC[C@H]1CNC(=O)c1ccncn1 ZINC000426837887 191046950 /nfs/dbraw/zinc/04/69/50/191046950.db2.gz ZTUFYFIBYBJOTE-VIFPVBQESA-N 0 3 220.276 0.301 20 0 BCADHN Cc1ncc(C(=O)NC2CCN(C)CC2)c(C)n1 ZINC000183484178 180129013 /nfs/dbraw/zinc/12/90/13/180129013.db2.gz LPPHPSKXDRTISC-UHFFFAOYSA-N 0 3 248.330 0.917 20 0 BCADHN Cc1ncc(C(=O)NC[C@H]2CCCN2C)c(C)n1 ZINC000180398114 180131790 /nfs/dbraw/zinc/13/17/90/180131790.db2.gz IIBDMHMUGCDKEF-LLVKDONJSA-N 0 3 248.330 0.917 20 0 BCADHN CN(C)CCOCCNC(=O)N1CC=CC1 ZINC000637078619 350174156 /nfs/dbraw/zinc/17/41/56/350174156.db2.gz HMBRTSBDUIAYRQ-UHFFFAOYSA-N 0 3 227.308 0.146 20 0 BCADHN COC(C)(C)CC(=O)NCCOCCN(C)C ZINC000427091706 191052805 /nfs/dbraw/zinc/05/28/05/191052805.db2.gz FTRQXZCMOUOEAS-UHFFFAOYSA-N 0 3 246.351 0.496 20 0 BCADHN CC(C)(O)CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000124479663 490363409 /nfs/dbraw/zinc/36/34/09/490363409.db2.gz MFIOPNUKSKLVDR-NSHDSACASA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC(F)(F)CN ZINC000427167181 191055090 /nfs/dbraw/zinc/05/50/90/191055090.db2.gz MBFDUBCIORFPKI-DTORHVGOSA-N 0 3 249.305 0.569 20 0 BCADHN CC[C@@H]1CN(CC2(O)CCOCC2)CCO1 ZINC000532604829 323279631 /nfs/dbraw/zinc/27/96/31/323279631.db2.gz TUVHOHCLDHMXLE-LLVKDONJSA-N 0 3 229.320 0.639 20 0 BCADHN CCNC(=O)CN(CC)[C@@H](C)CCOC ZINC000343277047 538065786 /nfs/dbraw/zinc/06/57/86/538065786.db2.gz RLKBLGIRPIRBLE-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000335661453 180119871 /nfs/dbraw/zinc/11/98/71/180119871.db2.gz DXJXCEWYRRJPSK-PSASIEDQSA-N 0 3 236.319 0.722 20 0 BCADHN CCO[C@H]1COCC[C@H]1NCc1n[nH]c(C)n1 ZINC000428430781 191058223 /nfs/dbraw/zinc/05/82/23/191058223.db2.gz PBRJEGBLRGIWRZ-ZJUUUORDSA-N 0 3 240.307 0.397 20 0 BCADHN Cc1nc[nH]c1CNC(=O)C(N)C(F)(F)F ZINC000353429322 180120172 /nfs/dbraw/zinc/12/01/72/180120172.db2.gz PHKSKRSPBSGQSE-LURJTMIESA-N 0 3 236.197 0.224 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CCO[C@@H]1C ZINC000333039397 180120584 /nfs/dbraw/zinc/12/05/84/180120584.db2.gz JGCRELMFANEDPU-RKDXNWHRSA-N 0 3 223.276 0.554 20 0 BCADHN CCO[C@H]1COCC[C@@H]1NCc1n[nH]c(C)n1 ZINC000428430776 191059111 /nfs/dbraw/zinc/05/91/11/191059111.db2.gz PBRJEGBLRGIWRZ-UWVGGRQHSA-N 0 3 240.307 0.397 20 0 BCADHN CC(C)(N)C(=O)NCCCO[C@H]1CCOC1 ZINC000236790872 191060421 /nfs/dbraw/zinc/06/04/21/191060421.db2.gz VMKGAXAGMSUVEC-VIFPVBQESA-N 0 3 230.308 0.036 20 0 BCADHN CC(C)(C)[C@H](NC[C@H]1CCCO1)C(N)=O ZINC000041051714 191063742 /nfs/dbraw/zinc/06/37/42/191063742.db2.gz XZPGTAIGHJXQTG-RKDXNWHRSA-N 0 3 214.309 0.655 20 0 BCADHN CC[C@H](C(=O)N1CCCOCC1)N(C)C ZINC000334342646 538067478 /nfs/dbraw/zinc/06/74/78/538067478.db2.gz KYPWYVBJSZZAQW-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN Cc1ncc(NC(=O)[C@H](C)NC2CC2)cn1 ZINC000296771638 180168691 /nfs/dbraw/zinc/16/86/91/180168691.db2.gz LMCGWLMCVZHSQG-ZETCQYMHSA-N 0 3 220.276 0.864 20 0 BCADHN Cc1ncc([C@H](C)NCCOCCO)c(C)n1 ZINC000159123857 180173296 /nfs/dbraw/zinc/17/32/96/180173296.db2.gz RPGIJHMIHAHECB-VIFPVBQESA-N 0 3 239.319 0.753 20 0 BCADHN CC[C@@H](N)c1cn(C[C@H]2CCOC2)nn1 ZINC000229942586 490368611 /nfs/dbraw/zinc/36/86/11/490368611.db2.gz CLWYCECQLLXMGV-RKDXNWHRSA-N 0 3 210.281 0.724 20 0 BCADHN CN(CC(=O)NC(=O)NC1CC1)C1CCCC1 ZINC000048391327 191069869 /nfs/dbraw/zinc/06/98/69/191069869.db2.gz PEJKGGZNRNMZNG-UHFFFAOYSA-N 0 3 239.319 0.849 20 0 BCADHN Cc1ncc(CN2CC[C@H](C)[C@H]2CO)cn1 ZINC000352423631 180146799 /nfs/dbraw/zinc/14/67/99/180146799.db2.gz YNBPUEUIWURCFQ-JOYOIKCWSA-N 0 3 221.304 0.988 20 0 BCADHN COc1ccnc(C(=O)NCCN(C)C2CC2)c1 ZINC000604741487 350182905 /nfs/dbraw/zinc/18/29/05/350182905.db2.gz NIZYPVMMOJDQAT-UHFFFAOYSA-N 0 3 249.314 0.914 20 0 BCADHN CC(C)N1CCCN(C(=O)C(C)(C)O)CC1 ZINC000427448580 191074939 /nfs/dbraw/zinc/07/49/39/191074939.db2.gz JHDRAVXPXLPXSZ-UHFFFAOYSA-N 0 3 228.336 0.700 20 0 BCADHN Cc1ncc(CNC[C@@]2(O)CCSC2)cn1 ZINC000336750314 180151506 /nfs/dbraw/zinc/15/15/06/180151506.db2.gz ZNBOBEHWPPNJNF-NSHDSACASA-N 0 3 239.344 0.743 20 0 BCADHN Cc1ncc(CNC[C@]2(O)CCOC2)s1 ZINC000126183569 180152040 /nfs/dbraw/zinc/15/20/40/180152040.db2.gz KQGLPIXDPBLCHE-SNVBAGLBSA-N 0 3 228.317 0.693 20 0 BCADHN Cc1ncc(CNC[C@@H](O)C2CC2)cn1 ZINC000309167264 180152699 /nfs/dbraw/zinc/15/26/99/180152699.db2.gz JOSGETNIXCXDRV-LLVKDONJSA-N 0 3 207.277 0.646 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1C[C@@H](C)O[C@H]1C ZINC000637147741 350220041 /nfs/dbraw/zinc/22/00/41/350220041.db2.gz YTSXYLNEKSVMKU-VLEAKVRGSA-N 0 3 243.351 0.802 20 0 BCADHN O=C([C@@H]1CCCN1C1CC1)N1CC(CO)C1 ZINC000427469045 191076844 /nfs/dbraw/zinc/07/68/44/191076844.db2.gz JSPPCBDCUPYEBK-NSHDSACASA-N 0 3 224.304 0.064 20 0 BCADHN Cc1nc(CN2CCN(C3CC3)CC2)n[nH]1 ZINC000428471995 191078146 /nfs/dbraw/zinc/07/81/46/191078146.db2.gz DHKUNUUJYIFULY-UHFFFAOYSA-N 0 3 221.308 0.393 20 0 BCADHN Cc1ncc2c(n1)CC[C@H](NC(=O)C(C)(C)N)C2 ZINC000361797033 180178602 /nfs/dbraw/zinc/17/86/02/180178602.db2.gz GTJQPWQQNHVLLE-JTQLQIEISA-N 0 3 248.330 0.496 20 0 BCADHN Cc1nccc(CN2CC[C@@H](C)[C@H]2CO)n1 ZINC000353121957 180186180 /nfs/dbraw/zinc/18/61/80/180186180.db2.gz TWZDDKPKRZCRKO-BXKDBHETSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1nccc(CNC(=O)[C@H](N)CC(C)C)n1 ZINC000038038158 180188001 /nfs/dbraw/zinc/18/80/01/180188001.db2.gz RCVLSBFFRWKTFX-LLVKDONJSA-N 0 3 236.319 0.775 20 0 BCADHN Cc1ncccc1C(=O)NCCN(C)C ZINC000082303032 180212318 /nfs/dbraw/zinc/21/23/18/180212318.db2.gz POWOQHBASDWMMU-UHFFFAOYSA-N 0 3 207.277 0.681 20 0 BCADHN Cc1ncccc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366557349 180212746 /nfs/dbraw/zinc/21/27/46/180212746.db2.gz SASNWVZYSDHOAT-UWVGGRQHSA-N 0 3 237.278 0.820 20 0 BCADHN C[C@H](CO)CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000124711342 490399594 /nfs/dbraw/zinc/39/95/94/490399594.db2.gz HESIATPPIPVAAF-CMPLNLGQSA-N 0 3 240.347 0.605 20 0 BCADHN CC1(C)CN(CCN2CCOCC2)CCCO1 ZINC000604999283 350235956 /nfs/dbraw/zinc/23/59/56/350235956.db2.gz BQWVZLVADLBRQQ-UHFFFAOYSA-N 0 3 242.363 0.820 20 0 BCADHN COCCN(C)CCNC(=O)N1[C@@H](C)C[C@@H]1C ZINC000526867438 323303920 /nfs/dbraw/zinc/30/39/20/323303920.db2.gz MLDPXFNKKMSHKN-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN Cc1nccn1CCN(C)C1(CO)CC1 ZINC000285566282 180248595 /nfs/dbraw/zinc/24/85/95/180248595.db2.gz RXYRVFUFQUSLGV-UHFFFAOYSA-N 0 3 209.293 0.648 20 0 BCADHN Cc1nccn1CCN(C)[C@@H]1CCOC1 ZINC000270896175 180249487 /nfs/dbraw/zinc/24/94/87/180249487.db2.gz QCGKPRJJVDJVNK-LLVKDONJSA-N 0 3 209.293 0.912 20 0 BCADHN Cc1nccn1CCN1CCc2n[nH]cc2C1 ZINC000271593121 180254625 /nfs/dbraw/zinc/25/46/25/180254625.db2.gz RVWGYKSZAWBERB-UHFFFAOYSA-N 0 3 231.303 0.973 20 0 BCADHN Cc1nccn1CCNC(=O)[C@@H](N)C(C)(C)C ZINC000261552691 180259302 /nfs/dbraw/zinc/25/93/02/180259302.db2.gz NFRUEKVBKQKCEG-SNVBAGLBSA-N 0 3 238.335 0.681 20 0 BCADHN Cc1nccn1CCCNCc1cnnn1C ZINC000337949977 180245243 /nfs/dbraw/zinc/24/52/43/180245243.db2.gz JJCZJIQNIAUNFL-UHFFFAOYSA-N 0 3 234.307 0.500 20 0 BCADHN C[C@@H](CNC(=O)N(C)C[C@H]1C[C@@H](O)C1)N(C)C ZINC000637195502 350256066 /nfs/dbraw/zinc/25/60/66/350256066.db2.gz BVAIAHANYJLWIF-GARJFASQSA-N 0 3 243.351 0.349 20 0 BCADHN CN1CCC(C(=O)N[C@H]2CC23CC3)CC1 ZINC000335097978 538084553 /nfs/dbraw/zinc/08/45/53/538084553.db2.gz FRSBFVZICRFTOS-JTQLQIEISA-N 0 3 208.305 0.997 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCCC[C@H]1O ZINC000129779847 191092331 /nfs/dbraw/zinc/09/23/31/191092331.db2.gz QZJPONOJDAZIEI-GXSJLCMTSA-N 0 3 224.308 0.456 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)C(C)(C)O ZINC000427829448 191092596 /nfs/dbraw/zinc/09/25/96/191092596.db2.gz CSCWACDGAJARHE-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@H](C)N ZINC000178847749 180267284 /nfs/dbraw/zinc/26/72/84/180267284.db2.gz QZEZVSGYRJFCLL-ONGXEEELSA-N 0 3 236.319 0.530 20 0 BCADHN CSCCCN1CC[C@@H](CO)[C@H](O)C1 ZINC000563913862 323320931 /nfs/dbraw/zinc/32/09/31/323320931.db2.gz UNBMSOYRNDOLND-VHSXEESVSA-N 0 3 219.350 0.415 20 0 BCADHN COCc1cccc(CNC(=O)[C@H](C)N)c1 ZINC000038010981 350296404 /nfs/dbraw/zinc/29/64/04/350296404.db2.gz WOXYQGSOQDAUDE-VIFPVBQESA-N 0 3 222.288 0.796 20 0 BCADHN CC[C@@H](C(=O)NCCCCO)N(CC)CC ZINC000427845707 191094797 /nfs/dbraw/zinc/09/47/97/191094797.db2.gz QGSGAHNEPZHVSI-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN Cc1ncncc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000356367970 180292889 /nfs/dbraw/zinc/29/28/89/180292889.db2.gz CUWLJLGLWVJBOO-DTWKUNHWSA-N 0 3 234.303 0.607 20 0 BCADHN C[C@@H](CCN(C)C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000068940219 350313432 /nfs/dbraw/zinc/31/34/32/350313432.db2.gz NIPQBSMCZWVERW-WDEREUQCSA-N 0 3 248.392 0.493 20 0 BCADHN C[C@H](CCN(C)C)N[C@H]1CCCS(=O)(=O)C1 ZINC000068940225 350313469 /nfs/dbraw/zinc/31/34/69/350313469.db2.gz NIPQBSMCZWVERW-MNOVXSKESA-N 0 3 248.392 0.493 20 0 BCADHN CC(C)OCCN[C@H]1CCCS(=O)(=O)C1 ZINC000068941650 350314090 /nfs/dbraw/zinc/31/40/90/350314090.db2.gz WZZCVNVMIGMZJF-JTQLQIEISA-N 0 3 235.349 0.578 20 0 BCADHN CN1CCC(N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000068939794 350314200 /nfs/dbraw/zinc/31/42/00/350314200.db2.gz XAZNFGBTCXBNPV-LLVKDONJSA-N 0 3 246.376 0.247 20 0 BCADHN NC[C@H]1c2ccccc2CCN1CC(N)=O ZINC000068958838 350314632 /nfs/dbraw/zinc/31/46/32/350314632.db2.gz KWZCNGPLKBOTDM-NSHDSACASA-N 0 3 219.288 0.030 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCOCC1CCC1 ZINC000309334983 350321772 /nfs/dbraw/zinc/32/17/72/350321772.db2.gz ITZKJRKMQMVBLB-JTQLQIEISA-N 0 3 249.376 0.826 20 0 BCADHN Cc1nccnc1[C@H](C)NCCN(C)C ZINC000235501491 180281466 /nfs/dbraw/zinc/28/14/66/180281466.db2.gz JQUVELKQFRATQG-JTQLQIEISA-N 0 3 208.309 0.997 20 0 BCADHN C[C@@H]1[C@@H](CO)CCN1C(=O)[C@H]1CCCN1C ZINC000427834160 191093575 /nfs/dbraw/zinc/09/35/75/191093575.db2.gz JBZQOUNAOOTDDL-GMTAPVOTSA-N 0 3 226.320 0.310 20 0 BCADHN CCS(=O)(=O)NCCN(C)CC(C)(C)C ZINC000068822082 350287304 /nfs/dbraw/zinc/28/73/04/350287304.db2.gz INIZXFYJNVNBMP-UHFFFAOYSA-N 0 3 236.381 0.904 20 0 BCADHN COC(=O)CCCN(C)C(=O)C1(N)CCCC1 ZINC000037813243 350289761 /nfs/dbraw/zinc/28/97/61/350289761.db2.gz JJTVGKPZRWBPMR-UHFFFAOYSA-N 0 3 242.319 0.670 20 0 BCADHN COC(=O)CCCN(C)C(=O)[C@H]1CCCCN1 ZINC000037813169 350289793 /nfs/dbraw/zinc/28/97/93/350289793.db2.gz GVBXOLITXLIQDX-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN COC(=O)CCCN(C)C(=O)[C@@H](N)CC(C)C ZINC000037813208 350289874 /nfs/dbraw/zinc/28/98/74/350289874.db2.gz WKVPMXYYDFCQFK-JTQLQIEISA-N 0 3 244.335 0.771 20 0 BCADHN C[C@H](CNC(=O)c1ccc(=O)[nH]c1)N(C)C ZINC000037985587 350295512 /nfs/dbraw/zinc/29/55/12/350295512.db2.gz VPLGANBTUBONLV-MRVPVSSYSA-N 0 3 223.276 0.055 20 0 BCADHN Cc1ncsc1CN(C)C(=O)[C@H](C)N ZINC000082632906 180312524 /nfs/dbraw/zinc/31/25/24/180312524.db2.gz HEDRSEKOUVFAPD-LURJTMIESA-N 0 3 213.306 0.757 20 0 BCADHN CC(C(=O)N[C@@]12C[C@@H]1CCC2)S(C)(=O)=O ZINC000617202678 350346900 /nfs/dbraw/zinc/34/69/00/350346900.db2.gz RNPNECVWLLLPTM-WEDXCCLWSA-N 0 3 231.317 0.478 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1CCC(C(N)=O)CC1 ZINC000019475386 350350492 /nfs/dbraw/zinc/35/04/92/350350492.db2.gz HEEALPGTACNCCZ-SNVBAGLBSA-N 0 3 241.335 0.084 20 0 BCADHN CCOC[C@@H](O)CN1CCN([C@H](C)CC)CC1 ZINC000069277240 350352275 /nfs/dbraw/zinc/35/22/75/350352275.db2.gz PRRUDVKPSGLSOE-OLZOCXBDSA-N 0 3 244.379 0.800 20 0 BCADHN Cc1ncoc1C(=O)N[C@@H]1CNCCC1(F)F ZINC000335654624 180300084 /nfs/dbraw/zinc/30/00/84/180300084.db2.gz WWWPHLLKAUZNQW-SSDOTTSWSA-N 0 3 245.229 0.710 20 0 BCADHN CCOC[C@@H](O)CN1CCN([C@@H](C)CC)CC1 ZINC000069277243 350352418 /nfs/dbraw/zinc/35/24/18/350352418.db2.gz PRRUDVKPSGLSOE-STQMWFEESA-N 0 3 244.379 0.800 20 0 BCADHN Cc1nn(C)cc1CNC1CCOCC1 ZINC000125973069 490474986 /nfs/dbraw/zinc/47/49/86/490474986.db2.gz GALXRTHKHIQNOA-UHFFFAOYSA-N 0 3 209.293 0.997 20 0 BCADHN Cc1ncsc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368145566 180305465 /nfs/dbraw/zinc/30/54/65/180305465.db2.gz HATONLNEVVRIDX-YUMQZZPRSA-N 0 3 243.307 0.881 20 0 BCADHN CSCC[C@H](N)C(=O)N1CCSCC1 ZINC000040458983 350365649 /nfs/dbraw/zinc/36/56/49/350365649.db2.gz RZQHVKULFPKSSU-QMMMGPOBSA-N 0 3 234.390 0.642 20 0 BCADHN CC(C)C(=O)N1CCCN(CCCO)CC1 ZINC000069608897 350371826 /nfs/dbraw/zinc/37/18/26/350371826.db2.gz WNOJXJYUCIZRQI-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN CCc1nc(CNC(=O)[C@H](C)NC)cs1 ZINC000328108405 350374626 /nfs/dbraw/zinc/37/46/26/350374626.db2.gz IPHKOJADVGWRTM-ZETCQYMHSA-N 0 3 227.333 0.930 20 0 BCADHN Cc1[nH]cnc1CC(=O)NC[C@H](CO)C1CC1 ZINC000427871434 191098194 /nfs/dbraw/zinc/09/81/94/191098194.db2.gz KHMVPKPHBJEZHW-SNVBAGLBSA-N 0 3 237.303 0.395 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)NC(C)(C)CN(C)C)CO1 ZINC000563954806 323334431 /nfs/dbraw/zinc/33/44/31/323334431.db2.gz RSVVUYQKZPVPDU-ZJUUUORDSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@H](CO)CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000124711752 490493623 /nfs/dbraw/zinc/49/36/23/490493623.db2.gz HESIATPPIPVAAF-JQWIXIFHSA-N 0 3 240.347 0.605 20 0 BCADHN CN1CCC[C@@H](NC(=O)NCC2(O)CCC2)C1 ZINC000606650410 350403520 /nfs/dbraw/zinc/40/35/20/350403520.db2.gz KVPSFTGOAXJWKY-SNVBAGLBSA-N 0 3 241.335 0.295 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@H]1CCN(C)C1 ZINC000042544974 180341812 /nfs/dbraw/zinc/34/18/12/180341812.db2.gz CPQDBXVEBWNKCW-NSHDSACASA-N 0 3 222.336 0.831 20 0 BCADHN Cc1nn(C)c(C)c1NC(=O)NCCN(C)C ZINC000354983882 180343183 /nfs/dbraw/zinc/34/31/83/180343183.db2.gz YRSJMNAOYDGBBP-UHFFFAOYSA-N 0 3 239.323 0.720 20 0 BCADHN Cc1nn(C)c(C)c1CNC[C@H](C)CO ZINC000088195467 180339679 /nfs/dbraw/zinc/33/96/79/180339679.db2.gz MSNROMCZGXPEAE-QMMMGPOBSA-N 0 3 211.309 0.755 20 0 BCADHN Cc1nn(C)c(C)c1CNC[C@]1(O)CCOC1 ZINC000229642524 180339940 /nfs/dbraw/zinc/33/99/40/180339940.db2.gz VOJDDEQWYJHGRM-GFCCVEGCSA-N 0 3 239.319 0.278 20 0 BCADHN Cc1nn(C)c(C)c1CNCC[C@@H](C)O ZINC000078780671 180340132 /nfs/dbraw/zinc/34/01/32/180340132.db2.gz RAEYJEULSWAMFK-MRVPVSSYSA-N 0 3 211.309 0.897 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@@H](C)CCO ZINC000096811434 180340420 /nfs/dbraw/zinc/34/04/20/180340420.db2.gz XGDPIMABHVMTKS-QMMMGPOBSA-N 0 3 211.309 0.897 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC(C)(O)C1)N(C)C ZINC000334172193 535130782 /nfs/dbraw/zinc/13/07/82/535130782.db2.gz BPTGEEZJTKVXAZ-VIFPVBQESA-N 0 3 214.309 0.166 20 0 BCADHN Cc1nn(C)cc1C(=O)NC[C@@H]1CCCN1C ZINC000113185601 180368342 /nfs/dbraw/zinc/36/83/42/180368342.db2.gz IPWLTWDQNCAPHV-JTQLQIEISA-N 0 3 236.319 0.553 20 0 BCADHN Cc1nn(C)cc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000227355706 180368369 /nfs/dbraw/zinc/36/83/69/180368369.db2.gz ATGSGZKYPHBYIG-RKDXNWHRSA-N 0 3 236.319 0.551 20 0 BCADHN Cc1nn(C)cc1C(=O)NC[C@@H](C)N(C)C ZINC000264850869 180368961 /nfs/dbraw/zinc/36/89/61/180368961.db2.gz BXVANBAASROHGB-MRVPVSSYSA-N 0 3 224.308 0.408 20 0 BCADHN Cc1nn(C)cc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000227355713 180369243 /nfs/dbraw/zinc/36/92/43/180369243.db2.gz ATGSGZKYPHBYIG-DTWKUNHWSA-N 0 3 236.319 0.551 20 0 BCADHN Cc1nn(C)cc1CN1CCCN(C)CC1 ZINC000271001702 180372278 /nfs/dbraw/zinc/37/22/78/180372278.db2.gz LRPOXJVXAURNNI-UHFFFAOYSA-N 0 3 222.336 0.866 20 0 BCADHN Cc1nn(C)cc1CN[C@H](C)CCCO ZINC000126069687 180375036 /nfs/dbraw/zinc/37/50/36/180375036.db2.gz DBPSPPTZKNOVJD-SECBINFHSA-N 0 3 211.309 0.979 20 0 BCADHN COC[C@@H](O)CNCc1ccnc(C)c1 ZINC000391189272 350492332 /nfs/dbraw/zinc/49/23/32/350492332.db2.gz NWKHTTYXRHFGBP-NSHDSACASA-N 0 3 210.277 0.487 20 0 BCADHN Cc1nn(C)cc1CN[C@H]1CCCOC1 ZINC000126032259 180375145 /nfs/dbraw/zinc/37/51/45/180375145.db2.gz YZJWCEIYYSKJMQ-NSHDSACASA-N 0 3 209.293 0.997 20 0 BCADHN CC(C)CN(C)C(=O)CNC(=O)[C@H](N)C(C)C ZINC000336715022 350467504 /nfs/dbraw/zinc/46/75/04/350467504.db2.gz SEULFLXXAZGOHB-LLVKDONJSA-N 0 3 243.351 0.200 20 0 BCADHN Cc1nn(C)cc1CN[C@@H]1C[C@H](O)C1(C)C ZINC000163465025 180375948 /nfs/dbraw/zinc/37/59/48/180375948.db2.gz WTIGVVIDMSVCOQ-MNOVXSKESA-N 0 3 223.320 0.978 20 0 BCADHN Cc1nn(C)cc1CN[C@@]1(C)CCOC1 ZINC000120113049 180376264 /nfs/dbraw/zinc/37/62/64/180376264.db2.gz NYNLFBSAHXQPKH-NSHDSACASA-N 0 3 209.293 0.997 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H](N)C(C)C ZINC000178043393 180379427 /nfs/dbraw/zinc/37/94/27/180379427.db2.gz QKBXCPDIRUAMKM-KCJUWKMLSA-N 0 3 238.335 0.889 20 0 BCADHN NC(=O)NC(=O)CCNCc1cccc(O)c1 ZINC000567262249 323348647 /nfs/dbraw/zinc/34/86/47/323348647.db2.gz IIKINEPLOXQGCA-UHFFFAOYSA-N 0 3 237.259 0.067 20 0 BCADHN O=C(Nc1nncs1)[C@@]1(F)CCNC1 ZINC000163360171 350518878 /nfs/dbraw/zinc/51/88/78/350518878.db2.gz NAROUKNNLRRTTD-SSDOTTSWSA-N 0 3 216.241 0.178 20 0 BCADHN C[C@@H](O)C[C@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000637380340 350501762 /nfs/dbraw/zinc/50/17/62/350501762.db2.gz MQLHVJKGIKEQFX-HBNTYKKESA-N 0 3 243.351 0.539 20 0 BCADHN CC[C@@H](NC(=O)NC[C@H]1CCCN1C)[C@@H](C)O ZINC000637379698 350503865 /nfs/dbraw/zinc/50/38/65/350503865.db2.gz UEGDTSGSXUMOCF-GMTAPVOTSA-N 0 3 243.351 0.539 20 0 BCADHN Cc1nnc(C(=O)NC[C@@H]2CCN(C)C2)s1 ZINC000185417862 180397172 /nfs/dbraw/zinc/39/71/72/180397172.db2.gz RWHAGIVLVOOYQL-QMMMGPOBSA-N 0 3 240.332 0.528 20 0 BCADHN O=C(NCc1cccnc1)[C@]1(F)CCNC1 ZINC000163377912 350519840 /nfs/dbraw/zinc/51/98/40/350519840.db2.gz VDGPJGFZUKKVIK-NSHDSACASA-N 0 3 223.251 0.399 20 0 BCADHN CCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000061650351 350521202 /nfs/dbraw/zinc/52/12/02/350521202.db2.gz HGRHOWHUOADNOT-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CCOCCO[C@H]1CCN(CCC(=O)OC)C1 ZINC000157907121 191111024 /nfs/dbraw/zinc/11/10/24/191111024.db2.gz LZJSZXWHNFWOKP-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN CC[C@@H](COC)N[C@H]1CCCCNC1=O ZINC000070623993 350548493 /nfs/dbraw/zinc/54/84/93/350548493.db2.gz ZTCDPBAWGBLWPU-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN CC(C)OCC(=O)NC[C@H](C)N(C)C ZINC000063732270 350577783 /nfs/dbraw/zinc/57/77/83/350577783.db2.gz CCGHNUWLKWBNPJ-VIFPVBQESA-N 0 3 202.298 0.478 20 0 BCADHN CCCC[C@@H](COC)NCC(=O)NCC ZINC000157941545 191112477 /nfs/dbraw/zinc/11/24/77/191112477.db2.gz SIBWQLLMDPLTSL-JTQLQIEISA-N 0 3 216.325 0.917 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)NCCN(C)C ZINC000637456022 350590730 /nfs/dbraw/zinc/59/07/30/350590730.db2.gz CCHQJTVQUYZFDT-UKKRHICBSA-N 0 3 243.351 0.659 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)NCCN(C)C ZINC000637456021 350590787 /nfs/dbraw/zinc/59/07/87/350590787.db2.gz CCHQJTVQUYZFDT-MMWGEVLESA-N 0 3 243.351 0.659 20 0 BCADHN CCN1CCCC[C@H]1C(=O)NCCN1CCC1 ZINC000337636021 350601077 /nfs/dbraw/zinc/60/10/77/350601077.db2.gz XYLQFRNJCGIVOD-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN CN1CCC[C@@H](CNC(=O)C[C@@H]2CCOC2)C1 ZINC000606842850 350617123 /nfs/dbraw/zinc/61/71/23/350617123.db2.gz ACLQAVFFEHZKAF-RYUDHWBXSA-N 0 3 240.347 0.871 20 0 BCADHN Cc1nnccc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000269932970 180451480 /nfs/dbraw/zinc/45/14/80/180451480.db2.gz BHFFZVLKVSGMRF-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN CO[C@@H](C)[C@H](C)NC[C@@H](O)C(F)(F)F ZINC000222631178 490651702 /nfs/dbraw/zinc/65/17/02/490651702.db2.gz AUNASWRLFWRGOM-LYFYHCNISA-N 0 3 215.215 0.923 20 0 BCADHN CC1(C)CN(CCn2cncn2)CC[C@@H]1O ZINC000336656633 350614064 /nfs/dbraw/zinc/61/40/64/350614064.db2.gz LPNCOTDKAXMUHP-JTQLQIEISA-N 0 3 224.308 0.371 20 0 BCADHN C/C=C\CNC(=O)NCCN(CC)CCO ZINC000637487326 350646413 /nfs/dbraw/zinc/64/64/13/350646413.db2.gz RVXQEZIMWABHTG-HYXAFXHYSA-N 0 3 229.324 0.176 20 0 BCADHN C/C=C\CNC(=O)NC[C@](C)(O)CN(C)C ZINC000637487665 350647493 /nfs/dbraw/zinc/64/74/93/350647493.db2.gz UHMFXOXDJLICAX-GZTOBOFZSA-N 0 3 229.324 0.174 20 0 BCADHN C/C=C/CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000637482930 350635691 /nfs/dbraw/zinc/63/56/91/350635691.db2.gz FPGOMIHPQDYUGX-ZROCKMJXSA-N 0 3 239.319 0.023 20 0 BCADHN C[NH+](C)CCOc1cc(-c2nnn[n-]2)ccn1 ZINC000095319241 350658181 /nfs/dbraw/zinc/65/81/81/350658181.db2.gz AMHXRMQQCLHCCV-UHFFFAOYSA-N 0 3 234.263 0.202 20 0 BCADHN C[NH+](C)CCOc1cc(-c2nn[n-]n2)ccn1 ZINC000095319241 350658183 /nfs/dbraw/zinc/65/81/83/350658183.db2.gz AMHXRMQQCLHCCV-UHFFFAOYSA-N 0 3 234.263 0.202 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)NCCN(C)C)C1 ZINC000637554176 350702774 /nfs/dbraw/zinc/70/27/74/350702774.db2.gz BEYJAUZNRPQZNX-AOOOYVTPSA-N 0 3 229.324 0.272 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N(C)CCOC ZINC000104289954 191118465 /nfs/dbraw/zinc/11/84/65/191118465.db2.gz QKFVFNFAKIYNJI-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000575915249 350676849 /nfs/dbraw/zinc/67/68/49/350676849.db2.gz DQAIMMMAAONNSP-DAWVFNFOSA-N 0 3 224.304 0.407 20 0 BCADHN C[C@H]1C[C@@H](O)CN1C(=O)NC[C@@H]1CCCN1C ZINC000637530538 350680447 /nfs/dbraw/zinc/68/04/47/350680447.db2.gz GVQNWRMUGRCWNP-GARJFASQSA-N 0 3 241.335 0.245 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NCC1(CO)CC1 ZINC000637533635 350684276 /nfs/dbraw/zinc/68/42/76/350684276.db2.gz BPDHAVCNSVQAQU-JTQLQIEISA-N 0 3 241.335 0.152 20 0 BCADHN CN(CC1(CO)COC1)[C@@H]1CCCOC1 ZINC000401429279 362976390 /nfs/dbraw/zinc/97/63/90/362976390.db2.gz FCAALZDJGWIAML-SNVBAGLBSA-N 0 3 215.293 0.106 20 0 BCADHN CN(C)CCn1cc(NCc2cnn(C)c2)cn1 ZINC000236998037 350745029 /nfs/dbraw/zinc/74/50/29/350745029.db2.gz OTIDHLVUTFFFAS-UHFFFAOYSA-N 0 3 248.334 0.790 20 0 BCADHN C[C@@H](CNC(=O)CCCn1cccn1)N(C)C ZINC000051468513 350746258 /nfs/dbraw/zinc/74/62/58/350746258.db2.gz WCMILMBEDWHGAY-NSHDSACASA-N 0 3 238.335 0.730 20 0 BCADHN CNCC(=O)NCCN1c2ccccc2C[C@H]1C ZINC000237224337 350748163 /nfs/dbraw/zinc/74/81/63/350748163.db2.gz RKDMISBPHRUWGG-LLVKDONJSA-N 0 3 247.342 0.773 20 0 BCADHN CCO[C@H]1C[C@H]1NC(=O)C1CCN(C)CC1 ZINC000577580943 366003332 /nfs/dbraw/zinc/00/33/32/366003332.db2.gz JKHGHJBCELDWGX-MNOVXSKESA-N 0 3 226.320 0.622 20 0 BCADHN OCc1cn([C@@H]2CCCN(CCCF)C2)nn1 ZINC000339418955 350756085 /nfs/dbraw/zinc/75/60/85/350756085.db2.gz YVCSJSVVGVVDEO-LLVKDONJSA-N 0 3 242.298 0.767 20 0 BCADHN CCS(=O)(=O)N(C)CC1(N(C)C)CCC1 ZINC000097936326 350726089 /nfs/dbraw/zinc/72/60/89/350726089.db2.gz BHWPJDXABKZBNL-UHFFFAOYSA-N 0 3 234.365 0.752 20 0 BCADHN Cn1cc(NC(=O)N2C[C@H]3CCN(C)[C@H]3C2)cn1 ZINC000637579962 350731916 /nfs/dbraw/zinc/73/19/16/350731916.db2.gz IRAVNWRTPJOSJX-KOLCDFICSA-N 0 3 249.318 0.588 20 0 BCADHN CC[C@@H](O)CN(CCOC)[C@@H]1CCOC1 ZINC000339135703 350735747 /nfs/dbraw/zinc/73/57/47/350735747.db2.gz JUCXBXYRZFKNBV-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN CCc1nnc(CN2C[C@@H](C)N(C)[C@@H](C)C2)[nH]1 ZINC000339621446 350768467 /nfs/dbraw/zinc/76/84/67/350768467.db2.gz HCVRTYKQSDXTPN-AOOOYVTPSA-N 0 3 237.351 0.892 20 0 BCADHN CCc1nc(CN2C[C@@H](C)N(C)[C@@H](C)C2)n[nH]1 ZINC000339621446 350768471 /nfs/dbraw/zinc/76/84/71/350768471.db2.gz HCVRTYKQSDXTPN-AOOOYVTPSA-N 0 3 237.351 0.892 20 0 BCADHN CN1CC[C@](O)(CNC(=O)NCC(C)(C)F)C1 ZINC000637597099 350771215 /nfs/dbraw/zinc/77/12/15/350771215.db2.gz LEYDDSFNNVDWNM-NSHDSACASA-N 0 3 247.314 0.100 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000617343463 350772632 /nfs/dbraw/zinc/77/26/32/350772632.db2.gz TZANIMPADUFBNL-WDEREUQCSA-N 0 3 242.363 0.992 20 0 BCADHN CC(C)(C)N1CC[C@@H](NC(=O)[C@@H](O)C2CC2)C1 ZINC000617343057 350772650 /nfs/dbraw/zinc/77/26/50/350772650.db2.gz KYBYZLBLPPSSMJ-MNOVXSKESA-N 0 3 240.347 0.746 20 0 BCADHN OC[C@@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@@H]1O ZINC000628308550 350783188 /nfs/dbraw/zinc/78/31/88/350783188.db2.gz VYCCDSGEMNXQKM-JSGCOSHPSA-N 0 3 246.310 0.953 20 0 BCADHN O=C(N[C@H]1C[C@@H](O)C1)N[C@H]1CCN(C2CC2)C1 ZINC000577584875 366005376 /nfs/dbraw/zinc/00/53/76/366005376.db2.gz NTHCOXUGBXHHMF-ATZCPNFKSA-N 0 3 239.319 0.046 20 0 BCADHN CNC(=O)NC(=O)CN1C[C@H]2CCCC[C@@H]2C1 ZINC000177527097 366006845 /nfs/dbraw/zinc/00/68/45/366006845.db2.gz BKTXZSLYDVOVSL-NXEZZACHSA-N 0 3 239.319 0.564 20 0 BCADHN CS(=O)(=O)NCCN1C[C@H]2CCCC[C@@H]2C1 ZINC000177530106 366007188 /nfs/dbraw/zinc/00/71/88/366007188.db2.gz SEKHYCWGWQWXNZ-GHMZBOCLSA-N 0 3 246.376 0.658 20 0 BCADHN CN(CCNC(=O)Cc1ccon1)C1CC1 ZINC000607049016 350808709 /nfs/dbraw/zinc/80/87/09/350808709.db2.gz VWKSWLULIUIYSF-UHFFFAOYSA-N 0 3 223.276 0.428 20 0 BCADHN Cc1c[nH]c(CNCCc2cncn2C)n1 ZINC000623086008 350843514 /nfs/dbraw/zinc/84/35/14/350843514.db2.gz SATXVQDKGPLLDU-UHFFFAOYSA-N 0 3 219.292 0.784 20 0 BCADHN CCOC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000051857391 350864310 /nfs/dbraw/zinc/86/43/10/350864310.db2.gz BYBKIFWFMGUPGB-JTQLQIEISA-N 0 3 230.308 0.579 20 0 BCADHN CO[C@@](C)(CO)CNCc1ccnc(C)c1 ZINC000623560498 362984627 /nfs/dbraw/zinc/98/46/27/362984627.db2.gz IFNCPFHNXNFEDC-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN C[C@@H](C(=O)NC[C@H]1CNCCO1)C(F)(F)F ZINC000577602029 366013695 /nfs/dbraw/zinc/01/36/95/366013695.db2.gz MPVAALPXHYPDMS-NKWVEPMBSA-N 0 3 240.225 0.289 20 0 BCADHN CCN(CC(=O)NC1CC1)C[C@H]1CCOC1 ZINC000052071627 350906726 /nfs/dbraw/zinc/90/67/26/350906726.db2.gz CONBMRQAAJOYCA-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN O[C@@H](Cn1cccn1)CN1CCSCC1 ZINC000051914892 350870436 /nfs/dbraw/zinc/87/04/36/350870436.db2.gz IQCXZWBBNZGIFJ-SNVBAGLBSA-N 0 3 227.333 0.293 20 0 BCADHN Cc1nocc1CNC(=O)NCCN(C)C ZINC000637617595 350873094 /nfs/dbraw/zinc/87/30/94/350873094.db2.gz YXOWKZIPGPNHAP-UHFFFAOYSA-N 0 3 226.280 0.344 20 0 BCADHN CC(C)n1cc([C@H](C)NC(=O)[C@@H](C)N)cn1 ZINC000575744654 350886403 /nfs/dbraw/zinc/88/64/03/350886403.db2.gz DFVMCULCJBDGTJ-BDAKNGLRSA-N 0 3 224.308 0.988 20 0 BCADHN CO[C@H](C)C(=O)NCC1(N(C)C)CC1 ZINC000397859892 350979858 /nfs/dbraw/zinc/97/98/58/350979858.db2.gz XVDCZQSNUIRFNB-MRVPVSSYSA-N 0 3 200.282 0.232 20 0 BCADHN CN1CCC[C@@H](NC(=O)NCc2ccncc2)C1 ZINC000052497255 351004495 /nfs/dbraw/zinc/00/44/95/351004495.db2.gz GXYUTQKSFRAJFR-GFCCVEGCSA-N 0 3 248.330 0.975 20 0 BCADHN CCOCCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000052497892 351005198 /nfs/dbraw/zinc/00/51/98/351005198.db2.gz LPGDLSSCUQKYNG-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000397646862 350957498 /nfs/dbraw/zinc/95/74/98/350957498.db2.gz VJOBHGSRMFIKAB-ZJUUUORDSA-N 0 3 226.320 0.215 20 0 BCADHN Cc1nocc1CN[C@@H]1CCCNC(=O)C1 ZINC000398059106 362993371 /nfs/dbraw/zinc/99/33/71/362993371.db2.gz JRRGDJOZNRQWNT-SNVBAGLBSA-N 0 3 223.276 0.741 20 0 BCADHN Cn1ccc(NC(=O)N[C@H]2CCCN(C)C2)n1 ZINC000213390631 362994400 /nfs/dbraw/zinc/99/44/00/362994400.db2.gz PIAYIMTZWWBZFR-VIFPVBQESA-N 0 3 237.307 0.636 20 0 BCADHN COc1ccc([C@H]2CN(CCO)CCN2)cc1 ZINC000616632768 351113873 /nfs/dbraw/zinc/11/38/73/351113873.db2.gz ZGVZIEMXEVAZLY-CYBMUJFWSA-N 0 3 236.315 0.634 20 0 BCADHN COC1(CNC[C@H](C)S(C)(=O)=O)CCC1 ZINC000571517427 351076355 /nfs/dbraw/zinc/07/63/55/351076355.db2.gz YIBLAIIYIIGLNJ-VIFPVBQESA-N 0 3 235.349 0.578 20 0 BCADHN CCCCN(CC)CC(=O)N1CCOCC1 ZINC000052877524 351076921 /nfs/dbraw/zinc/07/69/21/351076921.db2.gz MLMOCBAKZHUISS-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN CCc1cnc(NC(=O)[C@H]2C[C@@H](O)CN2)s1 ZINC000262463143 351142870 /nfs/dbraw/zinc/14/28/70/351142870.db2.gz FZLXVEGTTKXBGL-HTRCEHHLSA-N 0 3 241.316 0.367 20 0 BCADHN CCN1CCCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC000264417808 351236682 /nfs/dbraw/zinc/23/66/82/351236682.db2.gz NAOAXLCOMLWJBG-UHFFFAOYSA-N 0 3 249.314 0.488 20 0 BCADHN CC[C@H](CCO)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000607236344 351237953 /nfs/dbraw/zinc/23/79/53/351237953.db2.gz QBZMNYJHVVHPRA-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN CC[C@@H](CCO)NC(=O)N[C@H]1CCCN(C)C1 ZINC000607236347 351238132 /nfs/dbraw/zinc/23/81/32/351238132.db2.gz QBZMNYJHVVHPRA-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN CC(C)[C@H](O)CNC(=O)N[C@H]1CCCN(C)C1 ZINC000607236535 351238603 /nfs/dbraw/zinc/23/86/03/351238603.db2.gz UELRDNIQPNTAKG-WDEREUQCSA-N 0 3 243.351 0.397 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC000264835875 351257027 /nfs/dbraw/zinc/25/70/27/351257027.db2.gz JYUKSMOQXUVGQV-SNVBAGLBSA-N 0 3 236.319 0.932 20 0 BCADHN CN(C)C1CCN(C(=O)C2CC(=O)C2)CC1 ZINC000137002052 351221426 /nfs/dbraw/zinc/22/14/26/351221426.db2.gz CXJPUAMTGWNENE-UHFFFAOYSA-N 0 3 224.304 0.518 20 0 BCADHN O=S1(=O)CCC[C@@H](N[C@H]2CCC[C@@H]2O)C1 ZINC000068941742 351299639 /nfs/dbraw/zinc/29/96/39/351299639.db2.gz BUCHOUHGMORKFY-UTLUCORTSA-N 0 3 233.333 0.067 20 0 BCADHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1nc(N)nc(N)n1 ZINC000624001226 363023208 /nfs/dbraw/zinc/02/32/08/363023208.db2.gz ZQCOOPMCHLXMAU-HLTSFMKQSA-N 0 3 248.334 0.854 20 0 BCADHN CCCN(C)CC(=O)N1CC(n2ccnc2)C1 ZINC000607342336 351323994 /nfs/dbraw/zinc/32/39/94/351323994.db2.gz UXFPLNFWJBCVDK-UHFFFAOYSA-N 0 3 236.319 0.608 20 0 BCADHN CCN1CCC(NC(=O)c2nonc2C)CC1 ZINC000265412940 351268693 /nfs/dbraw/zinc/26/86/93/351268693.db2.gz NKKAOJWAKQLGAN-UHFFFAOYSA-N 0 3 238.291 0.592 20 0 BCADHN C[C@@H]1CCC[C@H](Nc2nc(N)nc(N)n2)[C@@H]1C ZINC000623792158 363021715 /nfs/dbraw/zinc/02/17/15/363021715.db2.gz IUHNRZBSKMWGSW-PRJMDXOYSA-N 0 3 236.323 0.355 20 0 BCADHN CCN1CCN(C(=O)/C=C/CN(C)C)CC1 ZINC000265602165 351271886 /nfs/dbraw/zinc/27/18/86/351271886.db2.gz DWXQCVOJHFWWGS-AATRIKPKSA-N 0 3 225.336 0.268 20 0 BCADHN C[C@H]1CN(C[C@H]2CCCN2C)CCC1=O ZINC000306881230 351278827 /nfs/dbraw/zinc/27/88/27/351278827.db2.gz LVJMSUVIILHNBC-WDEREUQCSA-N 0 3 210.321 0.992 20 0 BCADHN O=C(CNCC1(O)CCCC1)NCC1CC1 ZINC000083466234 351386397 /nfs/dbraw/zinc/38/63/97/351386397.db2.gz SWQBXLVLLCCSFX-UHFFFAOYSA-N 0 3 226.320 0.407 20 0 BCADHN C[C@@H]1COCCN(C(=O)C(C)(C)N)C1 ZINC000306985738 351403018 /nfs/dbraw/zinc/40/30/18/351403018.db2.gz NWUSNHRCMQZVPR-QMMMGPOBSA-N 0 3 200.282 0.219 20 0 BCADHN CN1CCC(NC[C@H]2CCCS2(=O)=O)CC1 ZINC000087970670 351439794 /nfs/dbraw/zinc/43/97/94/351439794.db2.gz MVLKCMYVSQOPOI-LLVKDONJSA-N 0 3 246.376 0.247 20 0 BCADHN COC[C@H](C)NC[C@@H]1CCCS1(=O)=O ZINC000087970961 351440865 /nfs/dbraw/zinc/44/08/65/351440865.db2.gz SXHKCWGKRRRWKN-IUCAKERBSA-N 0 3 221.322 0.188 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N(C)CCN(C)C)[C@@H](C)O1 ZINC000637654342 351458867 /nfs/dbraw/zinc/45/88/67/351458867.db2.gz KTGGAJPVQKRLON-MXWKQRLJSA-N 0 3 243.351 0.755 20 0 BCADHN NC1(C(=O)NC[C@@H]2CCCS2)CCC1 ZINC000088051585 351540723 /nfs/dbraw/zinc/54/07/23/351540723.db2.gz VZMSMIIRKQEXGN-QMMMGPOBSA-N 0 3 214.334 0.880 20 0 BCADHN CC(C)(N)C(=O)NCCOC(F)(F)F ZINC000398183078 363075976 /nfs/dbraw/zinc/07/59/76/363075976.db2.gz SMHHJECKCODIIP-UHFFFAOYSA-N 0 3 214.187 0.376 20 0 BCADHN CCCN(CCO)C(=O)CN1CC[C@H](C)C1 ZINC000571654146 351596131 /nfs/dbraw/zinc/59/61/31/351596131.db2.gz MLLZIKROHCNETR-NSHDSACASA-N 0 3 228.336 0.559 20 0 BCADHN Cn1cc(Cl)c(C(=O)N2CCCNCC2)n1 ZINC000637800740 351637220 /nfs/dbraw/zinc/63/72/20/351637220.db2.gz COVMQXKLLRZHPM-UHFFFAOYSA-N 0 3 242.710 0.509 20 0 BCADHN CCC(C)(C)[C@@H](O)C(=O)N1CCCNCC1 ZINC000637803860 351640296 /nfs/dbraw/zinc/64/02/96/351640296.db2.gz PUZZGNHRNDRWOP-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN Cc1cc(C2(C(=O)N3CCCNCC3)CC2)on1 ZINC000637803864 351640313 /nfs/dbraw/zinc/64/03/13/351640313.db2.gz PXKYHMDKWHTXPC-UHFFFAOYSA-N 0 3 249.314 0.837 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N2CCCNCC2)[C@@H](C)O1 ZINC000637804155 351640727 /nfs/dbraw/zinc/64/07/27/351640727.db2.gz VALDARZCWVLMJZ-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1c(CC(=O)N2CCCNCC2)cnn1C ZINC000637804411 351641174 /nfs/dbraw/zinc/64/11/74/351641174.db2.gz ZMQIXBKGIYRWFD-UHFFFAOYSA-N 0 3 236.319 0.093 20 0 BCADHN CCCN(Cc1cnc(N)nc1N)CC1CC1 ZINC000637812072 351647166 /nfs/dbraw/zinc/64/71/66/351647166.db2.gz VTBAPCLFUZFYNW-UHFFFAOYSA-N 0 3 235.335 0.924 20 0 BCADHN OCCN1CCN(CC2CCSCC2)CC1 ZINC000637810029 351650235 /nfs/dbraw/zinc/65/02/35/351650235.db2.gz AOQVKUPXPSARLR-UHFFFAOYSA-N 0 3 244.404 0.740 20 0 BCADHN [NH3+]C[C@H]1CCCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000637816522 351656213 /nfs/dbraw/zinc/65/62/13/351656213.db2.gz INWRHIBGVNYZQR-MRVPVSSYSA-N 0 3 236.275 0.136 20 0 BCADHN Cc1c[nH]nc1CNC[C@H]1COCCN1C ZINC000623713188 363078104 /nfs/dbraw/zinc/07/81/04/363078104.db2.gz VFPWYGAFAQGOKT-JTQLQIEISA-N 0 3 224.308 0.138 20 0 BCADHN CCC[C@H]1CNCCN1C(=O)CC(F)(F)CN ZINC000577645137 366029498 /nfs/dbraw/zinc/02/94/98/366029498.db2.gz CTOGOXPDWMRJHI-VIFPVBQESA-N 0 3 249.305 0.571 20 0 BCADHN Cn1ccnc1[C@@H](C1CC1)N1CC[C@H](C(N)=O)C1 ZINC000637829886 351678815 /nfs/dbraw/zinc/67/88/15/351678815.db2.gz QYNZTDVEEHDZQG-WDEREUQCSA-N 0 3 248.330 0.678 20 0 BCADHN NS(=O)(=O)c1ccc(CN2CCCC2)cc1 ZINC000637830660 351679746 /nfs/dbraw/zinc/67/97/46/351679746.db2.gz BZQZXHFBKWTAHK-UHFFFAOYSA-N 0 3 240.328 0.930 20 0 BCADHN C[C@H](C(=O)NC[C@@H](N)c1ccccc1)N(C)C ZINC000637832754 351682334 /nfs/dbraw/zinc/68/23/34/351682334.db2.gz MOAZCHKJLDAXSW-ZYHUDNBSSA-N 0 3 235.331 0.753 20 0 BCADHN C[C@@H](CNC[C@@H]1CCCS1)S(C)(=O)=O ZINC000577741496 366049020 /nfs/dbraw/zinc/04/90/20/366049020.db2.gz NRZLDOXYWQVNNM-IUCAKERBSA-N 0 3 237.390 0.905 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000637841632 351698109 /nfs/dbraw/zinc/69/81/09/351698109.db2.gz VHRDELKGCYOMHJ-IUCAKERBSA-N 0 3 236.319 0.469 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000637841633 351698172 /nfs/dbraw/zinc/69/81/72/351698172.db2.gz VHRDELKGCYOMHJ-RKDXNWHRSA-N 0 3 236.319 0.469 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN1 ZINC000637842279 351698817 /nfs/dbraw/zinc/69/88/17/351698817.db2.gz SVNISUMOSNQBRV-OPRDCNLKSA-N 0 3 234.303 0.334 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCN1 ZINC000637842279 351698821 /nfs/dbraw/zinc/69/88/21/351698821.db2.gz SVNISUMOSNQBRV-OPRDCNLKSA-N 0 3 234.303 0.334 20 0 BCADHN Cc1cc(CN)oc1C(=O)N1CCN[C@@H](C)C1 ZINC000637843048 351701689 /nfs/dbraw/zinc/70/16/89/351701689.db2.gz ZLOXEFNNYHUWPO-VIFPVBQESA-N 0 3 237.303 0.481 20 0 BCADHN COCC1(NC(=O)CNC(C)C)CC1 ZINC000577748006 366051943 /nfs/dbraw/zinc/05/19/43/366051943.db2.gz HOZYDEXZFVDKSW-UHFFFAOYSA-N 0 3 200.282 0.280 20 0 BCADHN [NH3+]C[C@H]1CCN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000637823605 351669002 /nfs/dbraw/zinc/66/90/02/351669002.db2.gz SBRZQQJQAUJNGT-SSDOTTSWSA-N 0 3 239.250 0.347 20 0 BCADHN CC[NH2+]CCNC(=O)c1cc(F)c[n-]c1=O ZINC000637826640 351674116 /nfs/dbraw/zinc/67/41/16/351674116.db2.gz VQIHZTSRUXDGAX-UHFFFAOYSA-N 0 3 227.239 0.266 20 0 BCADHN CC[C@H](NC(C)=O)C(=O)N1CCNCC1(C)C ZINC000637856591 351716709 /nfs/dbraw/zinc/71/67/09/351716709.db2.gz FDRNALBAGXWHGS-JTQLQIEISA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)CC[C@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000637856927 351716921 /nfs/dbraw/zinc/71/69/21/351716921.db2.gz JGSMNZPQPBBZSL-NSHDSACASA-N 0 3 241.379 0.960 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCNCC1(C)C ZINC000637856927 351716923 /nfs/dbraw/zinc/71/69/23/351716923.db2.gz JGSMNZPQPBBZSL-NSHDSACASA-N 0 3 241.379 0.960 20 0 BCADHN CNc1cnc(C(=O)N2CCNCC2(C)C)cn1 ZINC000637857944 351718652 /nfs/dbraw/zinc/71/86/52/351718652.db2.gz VOGZMBHIXYFPHD-UHFFFAOYSA-N 0 3 249.318 0.342 20 0 BCADHN CCNC(=O)[C@@]1(COC)CCCCN1 ZINC000637872432 351734943 /nfs/dbraw/zinc/73/49/43/351734943.db2.gz ZERBCIGKQNSBEP-JTQLQIEISA-N 0 3 200.282 0.281 20 0 BCADHN COCCCNC(=O)[C@@]1(COC)CCCCN1 ZINC000637870791 351736429 /nfs/dbraw/zinc/73/64/29/351736429.db2.gz WPIMHQWYVAXIMV-LBPRGKRZSA-N 0 3 244.335 0.298 20 0 BCADHN C[C@@H](C(=O)N1CC[C@@H](N2CCCC2)C1)N(C)C ZINC000674247292 487535636 /nfs/dbraw/zinc/53/56/36/487535636.db2.gz XPFCZBLQLZMQGT-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN CN(Cc1cnc(N)nc1N)C1CCCC1 ZINC000637878455 351745456 /nfs/dbraw/zinc/74/54/56/351745456.db2.gz KORJVKUUBNUMBB-UHFFFAOYSA-N 0 3 221.308 0.676 20 0 BCADHN CC(C)(C)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000637906847 351777029 /nfs/dbraw/zinc/77/70/29/351777029.db2.gz YFAHRFVRYWBGJL-DTWKUNHWSA-N 0 3 214.309 0.655 20 0 BCADHN CCN(CCC[C@@H]1CCO1)CC(=O)N(C)C ZINC000637907058 351777255 /nfs/dbraw/zinc/77/72/55/351777255.db2.gz HCQXZLQZBAWPEM-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](CC)COC ZINC000637907426 351778463 /nfs/dbraw/zinc/77/84/63/351778463.db2.gz MFLOWFRZZGTHNX-RKDXNWHRSA-N 0 3 202.298 0.526 20 0 BCADHN C[C@H](C(=O)NC(C)(C)C)N1CC[C@@](C)(O)C1 ZINC000177982251 366074775 /nfs/dbraw/zinc/07/47/75/366074775.db2.gz ISFKUPFFQUAHTF-BXKDBHETSA-N 0 3 228.336 0.746 20 0 BCADHN CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccnn2C)C1 ZINC000637909979 351781673 /nfs/dbraw/zinc/78/16/73/351781673.db2.gz XPZPUIMJXPQNSL-GZMMTYOYSA-N 0 3 238.291 0.126 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCCC(F)(F)F ZINC000637908091 351781816 /nfs/dbraw/zinc/78/18/16/351781816.db2.gz ZJRLUBDHFXBJEB-RITPCOANSA-N 0 3 226.198 0.171 20 0 BCADHN CN(Cc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC000637910983 351784941 /nfs/dbraw/zinc/78/49/41/351784941.db2.gz RVKKEEFUMSMNSW-UHFFFAOYSA-N 0 3 240.328 0.928 20 0 BCADHN CC[C@H](C)N(C)Cc1cnc(N)nc1N ZINC000637911937 351785466 /nfs/dbraw/zinc/78/54/66/351785466.db2.gz PWSVVJDSWZAHLN-ZETCQYMHSA-N 0 3 209.297 0.532 20 0 BCADHN CCN[C@H](C)C(=O)N(CC(N)=O)C1CCCC1 ZINC000637912505 351786746 /nfs/dbraw/zinc/78/67/46/351786746.db2.gz DTQJYTFSZWPZMN-SECBINFHSA-N 0 3 241.335 0.241 20 0 BCADHN CCN[C@H](C)C(=O)NCC(=O)N1CCCCC1 ZINC000637918369 351792892 /nfs/dbraw/zinc/79/28/92/351792892.db2.gz TXJHOTZJTSWCHP-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1cc(C(N)=O)n(C)c1 ZINC000637924295 351800066 /nfs/dbraw/zinc/80/00/66/351800066.db2.gz IYHSRFGNYSWCKW-ZETCQYMHSA-N 0 3 238.291 0.061 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)CC(=O)N(CC)CC ZINC000637886056 351753354 /nfs/dbraw/zinc/75/33/54/351753354.db2.gz HSSKRTQGZMVKDY-JTQLQIEISA-N 0 3 243.351 0.311 20 0 BCADHN CCN[C@H](C)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000637884836 351753868 /nfs/dbraw/zinc/75/38/68/351753868.db2.gz HCCIUKSULPLOSM-SECBINFHSA-N 0 3 249.314 0.400 20 0 BCADHN Cc1ccccc1CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000637887243 351754270 /nfs/dbraw/zinc/75/42/70/351754270.db2.gz QNXMRHUJTARKTH-QWHCGFSZSA-N 0 3 248.326 0.770 20 0 BCADHN CC(C)CN(CCC[C@@H]1CCO1)CC(N)=O ZINC000637927979 351802962 /nfs/dbraw/zinc/80/29/62/351802962.db2.gz NOAALLBHRLDVLG-LLVKDONJSA-N 0 3 228.336 0.999 20 0 BCADHN CO[C@]1(CN2CCOC(C)(C)C2)CCOC1 ZINC000637943183 351818783 /nfs/dbraw/zinc/81/87/83/351818783.db2.gz CDXNIBZJVSLZHZ-LBPRGKRZSA-N 0 3 229.320 0.903 20 0 BCADHN CO[C@@]1(CN2CCOC(C)(C)C2)CCOC1 ZINC000637943181 351819124 /nfs/dbraw/zinc/81/91/24/351819124.db2.gz CDXNIBZJVSLZHZ-GFCCVEGCSA-N 0 3 229.320 0.903 20 0 BCADHN CC[C@@H]1CCCN(Cc2cnc(N)nc2N)C1 ZINC000637944776 351819892 /nfs/dbraw/zinc/81/98/92/351819892.db2.gz NXBVQAALLQZCJD-SECBINFHSA-N 0 3 235.335 0.924 20 0 BCADHN CCN[C@H](C)C(=O)NCc1cnn(C)c1 ZINC000637950349 351825257 /nfs/dbraw/zinc/82/52/57/351825257.db2.gz GSDXONZRJOQIKM-MRVPVSSYSA-N 0 3 210.281 0.034 20 0 BCADHN COC[C@H](C)CN(C)CC(=O)N(C)C ZINC000178028745 366078276 /nfs/dbraw/zinc/07/82/76/366078276.db2.gz TZZRZOGTPQINFT-SECBINFHSA-N 0 3 202.298 0.289 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCC1CCSCC1 ZINC000637956810 351832285 /nfs/dbraw/zinc/83/22/85/351832285.db2.gz CAGJGKQLEOKHJL-ZJUUUORDSA-N 0 3 244.360 0.362 20 0 BCADHN CCN[C@H](C)C(=O)N1CCCC[C@H]1CC(N)=O ZINC000637956800 351832612 /nfs/dbraw/zinc/83/26/12/351832612.db2.gz BXOLMWPTPXRXAV-ZJUUUORDSA-N 0 3 241.335 0.241 20 0 BCADHN CCN[C@@H](C)C(=O)NCCOC[C@@H]1CCCO1 ZINC000637959916 351833464 /nfs/dbraw/zinc/83/34/64/351833464.db2.gz KOKYKPLEGKMQGK-QWRGUYRKSA-N 0 3 244.335 0.296 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@@H](C)S1 ZINC000637960689 351835203 /nfs/dbraw/zinc/83/52/03/351835203.db2.gz QOVSLDUHUPBRRS-DOLQZWNJSA-N 0 3 244.360 0.455 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@@H]1CCCOC1 ZINC000637937347 351814762 /nfs/dbraw/zinc/81/47/62/351814762.db2.gz JTARFXMWMSZFEK-UWVGGRQHSA-N 0 3 214.309 0.527 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@H]1CCCOC1 ZINC000637937348 351814891 /nfs/dbraw/zinc/81/48/91/351814891.db2.gz JTARFXMWMSZFEK-VHSXEESVSA-N 0 3 214.309 0.527 20 0 BCADHN C[C@@H]1CCCN(Cc2cnc(N)nc2N)CC1 ZINC000637979840 351857244 /nfs/dbraw/zinc/85/72/44/351857244.db2.gz VIVVFTILXOZEAE-SECBINFHSA-N 0 3 235.335 0.924 20 0 BCADHN CCN[C@H](C)C(=O)NCCOC[C@H]1CCOC1 ZINC000637984001 351858139 /nfs/dbraw/zinc/85/81/39/351858139.db2.gz WYNHQGRXMANBHU-MNOVXSKESA-N 0 3 244.335 0.154 20 0 BCADHN CCN[C@@H](C)C(=O)NCCNC(=O)C(C)(C)C ZINC000637967810 351842908 /nfs/dbraw/zinc/84/29/08/351842908.db2.gz WROLNFSQGSKFHT-VIFPVBQESA-N 0 3 243.351 0.263 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@H](O)[C@H](C)CC ZINC000637991346 351864872 /nfs/dbraw/zinc/86/48/72/351864872.db2.gz ACKFEUJHOYAYTL-BBBLOLIVSA-N 0 3 216.325 0.508 20 0 BCADHN N=C(N)NN=Cc1ncc(Cl)s1 ZINC000393334390 351867936 /nfs/dbraw/zinc/86/79/36/351867936.db2.gz XKQSYLWKSIFKQP-UHFFFAOYSA-N 0 3 203.658 0.613 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000637999233 351876561 /nfs/dbraw/zinc/87/65/61/351876561.db2.gz GEANHPVYXQCWGN-MMWGEVLESA-N 0 3 224.304 0.361 20 0 BCADHN Cc1nc(CNC(=O)[C@@H](N)CCC(C)C)no1 ZINC000638004402 351878637 /nfs/dbraw/zinc/87/86/37/351878637.db2.gz YWJPRTYQTBOCPO-VIFPVBQESA-N 0 3 240.307 0.758 20 0 BCADHN C[C@@H]1[C@@H](C)CCN1C(=O)[C@@H]1OCC[C@@H]1N ZINC000638040390 351921217 /nfs/dbraw/zinc/92/12/17/351921217.db2.gz NNXLJKMHTHVJPW-QCLAVDOMSA-N 0 3 212.293 0.360 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1C(=O)CN1CCNCC1 ZINC000638045298 351924587 /nfs/dbraw/zinc/92/45/87/351924587.db2.gz PYULUPFNTMEXJI-GHMZBOCLSA-N 0 3 225.336 0.291 20 0 BCADHN CO[C@@H]1CN[C@](C)(C(=O)Nc2ccccn2)C1 ZINC000638047737 351924693 /nfs/dbraw/zinc/92/46/93/351924693.db2.gz LHBWJCYUAOZCDJ-CABZTGNLSA-N 0 3 235.287 0.787 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NCCn1ccnc1 ZINC000638051853 351929659 /nfs/dbraw/zinc/92/96/59/351929659.db2.gz SXUZRAMHCFESKK-LLVKDONJSA-N 0 3 238.335 0.763 20 0 BCADHN Cc1cccc(CNC(=O)[C@@H]2OCC[C@@H]2N)n1 ZINC000638070357 351940791 /nfs/dbraw/zinc/94/07/91/351940791.db2.gz YYZYNBQPKOVSRV-WDEREUQCSA-N 0 3 235.287 0.122 20 0 BCADHN CC[C@@H](C)[C@H](CN(CCO)CCCO)OC ZINC000638070695 351942255 /nfs/dbraw/zinc/94/22/55/351942255.db2.gz VBYLTOYMHACTIB-NEPJUHHUSA-N 0 3 233.352 0.724 20 0 BCADHN CC[C@@H](C)[C@@H](CN(CCO)CCCO)OC ZINC000638070698 351942306 /nfs/dbraw/zinc/94/23/06/351942306.db2.gz VBYLTOYMHACTIB-VXGBXAGGSA-N 0 3 233.352 0.724 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)C1CCOCC1 ZINC000638013746 351891423 /nfs/dbraw/zinc/89/14/23/351891423.db2.gz DMZWHYAGEISECP-VHSXEESVSA-N 0 3 228.336 0.916 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)C1CCOCC1 ZINC000638013745 351891467 /nfs/dbraw/zinc/89/14/67/351891467.db2.gz DMZWHYAGEISECP-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN CC(C)C1(CNC(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638014119 351891470 /nfs/dbraw/zinc/89/14/70/351891470.db2.gz GPJLXEFOCAJUCQ-VHSXEESVSA-N 0 3 226.320 0.655 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC000638015593 351892229 /nfs/dbraw/zinc/89/22/29/351892229.db2.gz QBRHJFYVUXXJEI-BBBLOLIVSA-N 0 3 241.335 0.145 20 0 BCADHN Cc1nnc(CN(C)C(=O)CN(C)C(C)C)o1 ZINC000618067656 351893065 /nfs/dbraw/zinc/89/30/65/351893065.db2.gz NIGURHSASXSWLS-UHFFFAOYSA-N 0 3 240.307 0.677 20 0 BCADHN C[C@H](C[C@@H]1CCOC1)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638017195 351895737 /nfs/dbraw/zinc/89/57/37/351895737.db2.gz AEWLMEABTYWSML-VPOLOUISSA-N 0 3 242.319 0.034 20 0 BCADHN COCCN(CCO)C[C@](C)(OC)C1CC1 ZINC000638019871 351896458 /nfs/dbraw/zinc/89/64/58/351896458.db2.gz CMNWJXJFTMUXAK-LBPRGKRZSA-N 0 3 231.336 0.742 20 0 BCADHN CCN[C@@H](C)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000638018796 351897717 /nfs/dbraw/zinc/89/77/17/351897717.db2.gz UJLLVJXOCFCNKQ-ZJUUUORDSA-N 0 3 230.352 0.898 20 0 BCADHN CCC[C@@H](CN(CCO)CCOC)OC ZINC000638019459 351898412 /nfs/dbraw/zinc/89/84/12/351898412.db2.gz ANIDJEKYASKUAQ-NSHDSACASA-N 0 3 219.325 0.742 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)COCCOC ZINC000638020222 351899019 /nfs/dbraw/zinc/89/90/19/351899019.db2.gz GEZUCPDOIMXPKD-UWVGGRQHSA-N 0 3 232.324 0.152 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000638024215 351903034 /nfs/dbraw/zinc/90/30/34/351903034.db2.gz BZYWPRPTNZOIFB-JGVFFNPUSA-N 0 3 229.324 0.001 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000638031622 351913581 /nfs/dbraw/zinc/91/35/81/351913581.db2.gz RSKMUTYOVCDDPH-UWVGGRQHSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@H](C[NH3+])CNC(=O)c1cc(F)c[n-]c1=O ZINC000638146042 352008052 /nfs/dbraw/zinc/00/80/52/352008052.db2.gz SPJINDXSVXYHHS-ZCFIWIBFSA-N 0 3 227.239 0.251 20 0 BCADHN CCN[C@@H](C)C(=O)NCCCCn1ccnc1 ZINC000638076528 351949454 /nfs/dbraw/zinc/94/94/54/351949454.db2.gz QSBVEUMBTYHZFL-NSHDSACASA-N 0 3 238.335 0.778 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CC2)C[C@H](C)S1 ZINC000083836306 351956791 /nfs/dbraw/zinc/95/67/91/351956791.db2.gz FHYHYXZABLFWQW-OCAPTIKFSA-N 0 3 214.334 0.830 20 0 BCADHN CC[C@H](C)[C@H](CN(C)CC(C)(CO)CO)OC ZINC000638094691 351974934 /nfs/dbraw/zinc/97/49/34/351974934.db2.gz WRWBXVRJIVEEJG-RYUDHWBXSA-N 0 3 247.379 0.970 20 0 BCADHN CO[C@H]1CN[C@](C)(C(=O)Nc2ccncc2C)C1 ZINC000638098768 351978684 /nfs/dbraw/zinc/97/86/84/351978684.db2.gz ONBCWPRNHSIBFS-MFKMUULPSA-N 0 3 249.314 0.517 20 0 BCADHN Cn1cc(CN[C@@H]2COC[C@@H]2C2CC2)cn1 ZINC000725269936 538101814 /nfs/dbraw/zinc/10/18/14/538101814.db2.gz UCPKFISNTDCSGR-VXGBXAGGSA-N 0 3 221.304 0.935 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1ccn2ccnc2c1 ZINC000638119394 351993685 /nfs/dbraw/zinc/99/36/85/351993685.db2.gz QIVPLPYUHMHBSK-JTQLQIEISA-N 0 3 246.314 0.949 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1ccc(=O)[nH]c1 ZINC000638123419 351996258 /nfs/dbraw/zinc/99/62/58/351996258.db2.gz SHVQIQJVULDMDV-QMMMGPOBSA-N 0 3 223.276 0.401 20 0 BCADHN CC[C@H](C)[C@@H](CN1CC[C@@H](NC(N)=O)C1)OC ZINC000638183343 352047425 /nfs/dbraw/zinc/04/74/25/352047425.db2.gz QGFZCJMORSJBAH-HBNTYKKESA-N 0 3 243.351 0.790 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000638198405 352061755 /nfs/dbraw/zinc/06/17/55/352061755.db2.gz JUZWGURTNSRQTF-WCBMZHEXSA-N 0 3 248.286 0.006 20 0 BCADHN Cc1cncn1CC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000638205558 352067402 /nfs/dbraw/zinc/06/74/02/352067402.db2.gz ICBXLFZGVMBGQM-MNOVXSKESA-N 0 3 236.319 0.400 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cc(=O)[nH]cn2)[C@H]1C ZINC000638206669 352069305 /nfs/dbraw/zinc/06/93/05/352069305.db2.gz MUWSNPFNFGUBNZ-YUMQZZPRSA-N 0 3 236.275 0.005 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc(=O)[nH]cn1 ZINC000638206666 352069323 /nfs/dbraw/zinc/06/93/23/352069323.db2.gz MUWSNPFNFGUBNZ-JGVFFNPUSA-N 0 3 236.275 0.005 20 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BCADHN CCN[C@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000638156060 352019175 /nfs/dbraw/zinc/01/91/75/352019175.db2.gz RGEPXZXLZWDCDE-SECBINFHSA-N 0 3 248.330 0.664 20 0 BCADHN COC1CC(C(=O)N2C[C@@H](C)NC[C@@H]2C)C1 ZINC000638156874 352020425 /nfs/dbraw/zinc/02/04/25/352020425.db2.gz JRCPFFCWPCBSAH-MFQSTILNSA-N 0 3 226.320 0.620 20 0 BCADHN CC[C@H](NC(C)=O)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000638159749 352023887 /nfs/dbraw/zinc/02/38/87/352023887.db2.gz YHJWCIWQHRWKIP-QXEWZRGKSA-N 0 3 241.335 0.110 20 0 BCADHN CNc1cnc(C(=O)N2C[C@H](C)NC[C@H]2C)cn1 ZINC000638159949 352023964 /nfs/dbraw/zinc/02/39/64/352023964.db2.gz UBHAXRXSNOKNBE-DTWKUNHWSA-N 0 3 249.318 0.341 20 0 BCADHN CCC[C@@H](CN1C[C@H](O)C[C@H](O)C1)OC ZINC000638160437 352024683 /nfs/dbraw/zinc/02/46/83/352024683.db2.gz KQJGFXKZGFUPHI-AXFHLTTASA-N 0 3 217.309 0.229 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)[C@@H](CC)N(C)C ZINC000638160210 352024847 /nfs/dbraw/zinc/02/48/47/352024847.db2.gz HPCCENDLZVJUFV-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)[C@H](CC)N(C)C ZINC000638160207 352024916 /nfs/dbraw/zinc/02/49/16/352024916.db2.gz HPCCENDLZVJUFV-NEPJUHHUSA-N 0 3 241.379 0.927 20 0 BCADHN CC[C@](C)(CN1CCN2C(=O)NC[C@H]2C1)OC ZINC000638165002 352029900 /nfs/dbraw/zinc/02/99/00/352029900.db2.gz NNDRWQALXQRCIY-CMPLNLGQSA-N 0 3 241.335 0.511 20 0 BCADHN CC[C@@](C)(CN1CCN2C(=O)NC[C@H]2C1)OC ZINC000638165003 352029991 /nfs/dbraw/zinc/02/99/91/352029991.db2.gz NNDRWQALXQRCIY-JQWIXIFHSA-N 0 3 241.335 0.511 20 0 BCADHN CCN[C@H](C)C(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000638286414 352121148 /nfs/dbraw/zinc/12/11/48/352121148.db2.gz OFPHWWDVJFDAKK-MXWKQRLJSA-N 0 3 228.336 0.868 20 0 BCADHN CCN[C@H](C)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000638309417 352137230 /nfs/dbraw/zinc/13/72/30/352137230.db2.gz ZFICABQECCXFDZ-GMTAPVOTSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H](N)C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000083932264 352089284 /nfs/dbraw/zinc/08/92/84/352089284.db2.gz PEXMXXNZUWKIBA-SECBINFHSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@H](N)C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000083932263 352089589 /nfs/dbraw/zinc/08/95/89/352089589.db2.gz PEXMXXNZUWKIBA-VIFPVBQESA-N 0 3 241.335 0.241 20 0 BCADHN C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)[C@@H](C)O1 ZINC000638249552 352095451 /nfs/dbraw/zinc/09/54/51/352095451.db2.gz ZVXMBLAIULYGCX-UVOCVTCTSA-N 0 3 244.310 0.616 20 0 BCADHN CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000638266452 352105928 /nfs/dbraw/zinc/10/59/28/352105928.db2.gz KWIPJGXBVAGUEX-MRVPVSSYSA-N 0 3 236.275 0.053 20 0 BCADHN CCC(C)(C)[C@@H](O)C(=O)N1CCNC(C)(C)C1 ZINC000638270585 352107482 /nfs/dbraw/zinc/10/74/82/352107482.db2.gz IQTIEWULOWILAA-JTQLQIEISA-N 0 3 242.363 0.994 20 0 BCADHN CN(CCC1CC1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638309169 352136389 /nfs/dbraw/zinc/13/63/89/352136389.db2.gz JTSDEULICSXTOA-VHSXEESVSA-N 0 3 212.293 0.361 20 0 BCADHN CCO[C@H](C(=O)NC[C@@H]1CNCCO1)C(C)C ZINC000638337010 352155358 /nfs/dbraw/zinc/15/53/58/352155358.db2.gz AXFYRRLOWHUUFC-QWRGUYRKSA-N 0 3 244.335 0.152 20 0 BCADHN CC(C)=C(C)CC(=O)NC[C@@H]1CNCCO1 ZINC000638338519 352159114 /nfs/dbraw/zinc/15/91/14/352159114.db2.gz XYTNHMYDHUPNMC-NSHDSACASA-N 0 3 226.320 0.837 20 0 BCADHN Cc1n[nH]cc1CNCCCn1ccnn1 ZINC000163780743 352159238 /nfs/dbraw/zinc/15/92/38/352159238.db2.gz ZLNNQFMTXURZPY-UHFFFAOYSA-N 0 3 220.280 0.490 20 0 BCADHN CCn1ncnc1CNC[C@H](C1CC1)N(C)C ZINC000638392484 352197963 /nfs/dbraw/zinc/19/79/63/352197963.db2.gz ZSYSSAHERWTWNL-LLVKDONJSA-N 0 3 237.351 0.728 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)CC1CCOCC1 ZINC000638375760 352185651 /nfs/dbraw/zinc/18/56/51/352185651.db2.gz DZDVNCUFOSVIRZ-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2N)C[C@H](C)O1 ZINC000638375592 352185885 /nfs/dbraw/zinc/18/58/85/352185885.db2.gz CORXARAGNKOVFH-HPENLJRUSA-N 0 3 242.319 0.175 20 0 BCADHN O=C(NCCC[NH2+]C1CC1)c1cc(=O)[n-]cn1 ZINC000638374351 352187198 /nfs/dbraw/zinc/18/71/98/352187198.db2.gz KAAKQAQTARKQTN-UHFFFAOYSA-N 0 3 236.275 0.054 20 0 BCADHN Cc1occc1CN(C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638380589 352190673 /nfs/dbraw/zinc/19/06/73/352190673.db2.gz CUELYMJIRLISQK-WDEREUQCSA-N 0 3 238.287 0.663 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1CCS[C@H]1C ZINC000638380530 352190975 /nfs/dbraw/zinc/19/09/75/352190975.db2.gz GGTLANBTZLXGAA-HRDYMLBCSA-N 0 3 216.350 0.995 20 0 BCADHN CC[C@@H](NC(=O)[C@@H]1OCC[C@@H]1N)[C@@H]1CCCO1 ZINC000638382763 352192426 /nfs/dbraw/zinc/19/24/26/352192426.db2.gz ZKBIKSHBVPDQOJ-ZRUFSTJUSA-N 0 3 242.319 0.176 20 0 BCADHN CCN[C@H](C)C(=O)N1CCc2ccncc21 ZINC000638314699 352139682 /nfs/dbraw/zinc/13/96/82/352139682.db2.gz DYHGBGPIPWYAJU-SECBINFHSA-N 0 3 219.288 0.969 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC ZINC000638317614 352142463 /nfs/dbraw/zinc/14/24/63/352142463.db2.gz MNNJEHONDOGFQU-CHWFTXMASA-N 0 3 244.335 0.293 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)[C@@H](C)OC ZINC000638322080 352144357 /nfs/dbraw/zinc/14/43/57/352144357.db2.gz UNIZXRNDKVAJQU-XHNCKOQMSA-N 0 3 202.298 0.524 20 0 BCADHN 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20 0 BCADHN CCN[C@@H](C)C(=O)NCC[C@H](COC)OC ZINC000638403354 352209724 /nfs/dbraw/zinc/20/97/24/352209724.db2.gz BBZQCEAAYXTBAU-VHSXEESVSA-N 0 3 232.324 0.152 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NC/C=C\CO ZINC000638405225 352212120 /nfs/dbraw/zinc/21/21/20/352212120.db2.gz BAQGYYPFBQNZON-XOULXFPDSA-N 0 3 214.309 0.415 20 0 BCADHN CCN1CCN(CCc2cn[nH]c2)CC1 ZINC000290166863 352212283 /nfs/dbraw/zinc/21/22/83/352212283.db2.gz XZTCBQZNCPDJSR-UHFFFAOYSA-N 0 3 208.309 0.590 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NC/C=C\CO ZINC000638405224 352212300 /nfs/dbraw/zinc/21/23/00/352212300.db2.gz BAQGYYPFBQNZON-UMBAGQNISA-N 0 3 214.309 0.415 20 0 BCADHN CCC(C)(C)[C@H](C)NC(=O)CN1CCNCC1 ZINC000638406645 352215710 /nfs/dbraw/zinc/21/57/10/352215710.db2.gz JDNYXUUCSSFCLF-NSHDSACASA-N 0 3 241.379 0.833 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H](C)C[C@@H](C)O ZINC000304305477 187629913 /nfs/dbraw/zinc/62/99/13/187629913.db2.gz PJFBBCYOJKZDTD-GHMZBOCLSA-N 0 3 230.352 0.850 20 0 BCADHN 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238.331 0.965 20 0 BCADHN CC1(NC(=O)C[C@H]2CNCCO2)CCCC1 ZINC000085619789 535179020 /nfs/dbraw/zinc/17/90/20/535179020.db2.gz GMYPCFMFEPMDBY-JTQLQIEISA-N 0 3 226.320 0.814 20 0 BCADHN COC(=O)CCN(C)CCN(C)C1CC1 ZINC000411543631 191193039 /nfs/dbraw/zinc/19/30/39/191193039.db2.gz LRLCIGZSOLVJHS-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN O=C(CN1CCNCC1)N(C1CC1)C1CC1 ZINC000638574624 352404552 /nfs/dbraw/zinc/40/45/52/352404552.db2.gz XELFYKIRCLKPTK-UHFFFAOYSA-N 0 3 223.320 0.045 20 0 BCADHN CCc1nnc(CNC(=O)CN(CC)CC)[nH]1 ZINC000295241477 352404884 /nfs/dbraw/zinc/40/48/84/352404884.db2.gz CXKCYLZXHFODOU-UHFFFAOYSA-N 0 3 239.323 0.325 20 0 BCADHN CCc1nnc(CNC(=O)C[NH+](CC)CC)[n-]1 ZINC000295241477 352404888 /nfs/dbraw/zinc/40/48/88/352404888.db2.gz CXKCYLZXHFODOU-UHFFFAOYSA-N 0 3 239.323 0.325 20 0 BCADHN O=C(CCOC1CNC1)N(C1CC1)C1CC1 ZINC000638574750 352405541 /nfs/dbraw/zinc/40/55/41/352405541.db2.gz ZEMKXMZJDURPOZ-UHFFFAOYSA-N 0 3 224.304 0.518 20 0 BCADHN COC(=O)C1(C)CN(CC2(O)CCOCC2)C1 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KWCROVHMDLGEHI-MNOVXSKESA-N 0 3 225.336 0.291 20 0 BCADHN COCCCCN1CC[C@@H](NC(N)=O)C1 ZINC000342869477 352883643 /nfs/dbraw/zinc/88/36/43/352883643.db2.gz YNSSVRKUMGQNKN-SECBINFHSA-N 0 3 215.297 0.156 20 0 BCADHN CC(C)[C@H]1CN([C@H]2CCNC2=O)CCCO1 ZINC000334253354 352890197 /nfs/dbraw/zinc/89/01/97/352890197.db2.gz JVKDRVBWOLTDIH-WDEREUQCSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1n[nH]cc1CN1CCC[C@]2(CNC(=O)C2)C1 ZINC000334261690 352894562 /nfs/dbraw/zinc/89/45/62/352894562.db2.gz YIQZAFVNFKVMAM-ZDUSSCGKSA-N 0 3 248.330 0.820 20 0 BCADHN CCC(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000334262364 352895330 /nfs/dbraw/zinc/89/53/30/352895330.db2.gz ZLTHSNIFMDDYER-NXEZZACHSA-N 0 3 212.293 0.328 20 0 BCADHN CN1CCC(NC(=O)N2CCCCO2)CC1 ZINC000334263919 352898070 /nfs/dbraw/zinc/89/80/70/352898070.db2.gz KGMBICOJGJOKEH-UHFFFAOYSA-N 0 3 227.308 0.818 20 0 BCADHN OC[C@]1(F)CCN(C[C@H]2CCCOC2)C1 ZINC000334265400 352900616 /nfs/dbraw/zinc/90/06/16/352900616.db2.gz YDYHUWWXDCFELO-MNOVXSKESA-N 0 3 217.284 0.819 20 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CC(C)[C@H](C(=O)N1CCN(C)C[C@@H]1C)N(C)C ZINC000334314282 352945142 /nfs/dbraw/zinc/94/51/42/352945142.db2.gz MBZHWEBJRRZMTF-NWDGAFQWSA-N 0 3 241.379 0.735 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H](C)[C@@H](O)C1)N(C)C ZINC000305770889 352957405 /nfs/dbraw/zinc/95/74/05/352957405.db2.gz PDSFCFYTVZTBTA-AXFHLTTASA-N 0 3 228.336 0.556 20 0 BCADHN C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)C1CC1 ZINC000343096835 352963268 /nfs/dbraw/zinc/96/32/68/352963268.db2.gz GKIMHEAYEIMHGX-CMPLNLGQSA-N 0 3 237.347 0.291 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)C1CC1 ZINC000343096838 352963310 /nfs/dbraw/zinc/96/33/10/352963310.db2.gz GKIMHEAYEIMHGX-PWSUYJOCSA-N 0 3 237.347 0.291 20 0 BCADHN CC(C)(F)CNC(=O)C[C@@H]1CNCCO1 ZINC000638813335 352992740 /nfs/dbraw/zinc/99/27/40/352992740.db2.gz VUJMQJIPQXDBHA-MRVPVSSYSA-N 0 3 218.272 0.229 20 0 BCADHN O=C(CCOC1CNC1)N[C@@H]1CCCC12CC2 ZINC000638833951 353015658 /nfs/dbraw/zinc/01/56/58/353015658.db2.gz KXRYZGNBOWPCPG-LLVKDONJSA-N 0 3 238.331 0.814 20 0 BCADHN CNCC(=O)Nc1ccc(OC)cc1F ZINC000638838461 353023147 /nfs/dbraw/zinc/02/31/47/353023147.db2.gz JDYSEBVPUNJEJH-UHFFFAOYSA-N 0 3 212.224 0.992 20 0 BCADHN CCNC(=O)CNC[C@H](OC)C1CCOCC1 ZINC000638847197 353027199 /nfs/dbraw/zinc/02/71/99/353027199.db2.gz KASPQDJOEXFMFG-NSHDSACASA-N 0 3 244.335 0.154 20 0 BCADHN CO[C@H]1CN[C@@](C)(C(=O)Nc2nc(C)c[nH]2)C1 ZINC000638854931 353032071 /nfs/dbraw/zinc/03/20/71/353032071.db2.gz WVBNGTKPWDOWLY-LDYMZIIASA-N 0 3 238.291 0.424 20 0 BCADHN NCC(=O)NCCOc1cncc(Cl)c1 ZINC000638856532 353033383 /nfs/dbraw/zinc/03/33/83/353033383.db2.gz NXEGGWZMIWWEBD-UHFFFAOYSA-N 0 3 229.667 0.189 20 0 BCADHN Cn1cc([C@@H](CO)NCCC[C@H]2CCO2)cn1 ZINC000638813952 352994777 /nfs/dbraw/zinc/99/47/77/352994777.db2.gz QOSOXWZKSGYTEC-NWDGAFQWSA-N 0 3 239.319 0.612 20 0 BCADHN CO[C@]1(CNCc2cc(C)ncn2)CCOC1 ZINC000638811356 353000900 /nfs/dbraw/zinc/00/09/00/353000900.db2.gz RTYNTAFZTIZOBN-LBPRGKRZSA-N 0 3 237.303 0.680 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H]1CCN(CC)C1=O ZINC000638825677 353006729 /nfs/dbraw/zinc/00/67/29/353006729.db2.gz VVPFUHUURQKCEX-SKDRFNHKSA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CCN(CC)C1=O ZINC000638825181 353006855 /nfs/dbraw/zinc/00/68/55/353006855.db2.gz MVDOUNPPRPCXKB-UTLUCORTSA-N 0 3 241.335 0.097 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@@H]1CCCC12CC2 ZINC000638831182 353011223 /nfs/dbraw/zinc/01/12/23/353011223.db2.gz JKRZUXLTEAICAJ-GHMZBOCLSA-N 0 3 238.331 0.814 20 0 BCADHN CC(C)(F)C(=O)N1CCNC(C)(C)C1 ZINC000307269501 353064683 /nfs/dbraw/zinc/06/46/83/353064683.db2.gz GYHDNJSGXSHFLH-UHFFFAOYSA-N 0 3 202.273 0.945 20 0 BCADHN Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1[O-] ZINC000638916041 353076784 /nfs/dbraw/zinc/07/67/84/353076784.db2.gz VRNNTRZYGDNKEB-UWVGGRQHSA-N 0 3 232.283 0.887 20 0 BCADHN CCn1ncnc1CNCCN1CC[C@H](C)C1 ZINC000638874852 353044980 /nfs/dbraw/zinc/04/49/80/353044980.db2.gz XRBCJKWVAUKOKS-NSHDSACASA-N 0 3 237.351 0.729 20 0 BCADHN COC[C@](C)(CO)NC[C@@H]1CCCCO1 ZINC000638874945 353045390 /nfs/dbraw/zinc/04/53/90/353045390.db2.gz ZKKHJYUEKZWYPJ-QWRGUYRKSA-N 0 3 217.309 0.543 20 0 BCADHN CC(C)(N)C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000335378739 535195060 /nfs/dbraw/zinc/19/50/60/535195060.db2.gz GCCMZRZXNKTZME-NSHDSACASA-N 0 3 240.347 0.999 20 0 BCADHN CC(=O)N1CCN(C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000334424464 353103401 /nfs/dbraw/zinc/10/34/01/353103401.db2.gz WLCLQRIOYYNRQX-DGCLKSJQSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)[C@@H](O)CN1CCN2C(=O)CC[C@@H]2C1 ZINC000300906286 188001629 /nfs/dbraw/zinc/00/16/29/188001629.db2.gz RAZDLDRYYJJAMN-MNOVXSKESA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@H]1C[C@H](N=c2ncnc3[nH][n-]cc2-3)CC[N@@H+]1C ZINC000608088467 353106429 /nfs/dbraw/zinc/10/64/29/353106429.db2.gz DQDLSTKYQYRVGR-RKDXNWHRSA-N 0 3 246.318 0.621 20 0 BCADHN C[C@@H]1C[C@H](N=c2ncnc3[nH][n-]cc2-3)CC[N@H+]1C ZINC000608088467 353106433 /nfs/dbraw/zinc/10/64/33/353106433.db2.gz DQDLSTKYQYRVGR-RKDXNWHRSA-N 0 3 246.318 0.621 20 0 BCADHN CCN(C)CCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC000412126193 191263819 /nfs/dbraw/zinc/26/38/19/191263819.db2.gz RHFRIMNTLOHLRD-JTQLQIEISA-N 0 3 243.351 0.202 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)C1=COCCO1 ZINC000151855850 187986406 /nfs/dbraw/zinc/98/64/06/187986406.db2.gz GPPCBYSCDHUMAB-UHFFFAOYSA-N 0 3 242.319 0.673 20 0 BCADHN CC[C@@H]1CC[C@@H]1N[C@@H]1CCS(=O)(=O)C1 ZINC000307712225 353095507 /nfs/dbraw/zinc/09/55/07/353095507.db2.gz WIXVDLOHRXERED-BBBLOLIVSA-N 0 3 217.334 0.952 20 0 BCADHN CC(C)[C@H](CO)CN[C@H](C)CS(C)(=O)=O ZINC000336763417 188003352 /nfs/dbraw/zinc/00/33/52/188003352.db2.gz PDIHOEMLITWOOO-ZJUUUORDSA-N 0 3 237.365 0.274 20 0 BCADHN CC(C)COCCN(C)CCN1CCOCC1 ZINC000336698282 188011753 /nfs/dbraw/zinc/01/17/53/188011753.db2.gz VKAJPDVCEMYQPP-UHFFFAOYSA-N 0 3 244.379 0.923 20 0 BCADHN CCOC[C@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC000336663766 188011775 /nfs/dbraw/zinc/01/17/75/188011775.db2.gz DHAFSQJXDWJUFL-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)[C@H](O)CN1CC[C@@H](N2CCCC2=O)C1 ZINC000336706964 188012865 /nfs/dbraw/zinc/01/28/65/188012865.db2.gz NCYGHKBWGFDMEO-VXGBXAGGSA-N 0 3 240.347 0.700 20 0 BCADHN CCCN(C[C@@H](O)CC)[C@H]1CC(=O)N(C)C1=O ZINC000338320496 188017326 /nfs/dbraw/zinc/01/73/26/188017326.db2.gz MDROJSGLHKGYMQ-UWVGGRQHSA-N 0 3 242.319 0.227 20 0 BCADHN CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)O2)N(C)C ZINC000338963156 188018351 /nfs/dbraw/zinc/01/83/51/188018351.db2.gz QXTJJOLFZRXAOY-AXFHLTTASA-N 0 3 226.320 0.716 20 0 BCADHN CC(=O)C1(C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000339850940 188019938 /nfs/dbraw/zinc/01/99/38/188019938.db2.gz NNZMTUXYXVPJIS-SECBINFHSA-N 0 3 238.331 0.955 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cnc[nH]2)CN1C1CC1 ZINC000267901407 188023091 /nfs/dbraw/zinc/02/30/91/188023091.db2.gz ALWZGKMSNRGEKZ-RKDXNWHRSA-N 0 3 234.303 0.765 20 0 BCADHN CCOC(=O)[C@H](CC)C(=O)N(C)CCN(C)C ZINC000412170926 191265110 /nfs/dbraw/zinc/26/51/10/191265110.db2.gz ZMCOEFVIFCQECG-SNVBAGLBSA-N 0 3 244.335 0.596 20 0 BCADHN CC(C)N1CCCN(C(=O)c2nc[nH]n2)CC1 ZINC000269501994 188024581 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HVMSZXZLJXBNQK-LBPRGKRZSA-N 0 3 241.335 0.543 20 0 BCADHN CC(C)(N)C(=O)NCCOc1ccccc1 ZINC000042897631 188043396 /nfs/dbraw/zinc/04/33/96/188043396.db2.gz LOBYENSCEPTRBJ-UHFFFAOYSA-N 0 3 222.288 0.919 20 0 BCADHN C[C@@H](NCCn1cncn1)c1cn[nH]c1 ZINC000336766542 188005408 /nfs/dbraw/zinc/00/54/08/188005408.db2.gz SCSWEPXFEIUSLH-MRVPVSSYSA-N 0 3 206.253 0.352 20 0 BCADHN CCOC[C@H]1CCN([C@H](CC)C(N)=O)C1 ZINC000081521581 188049946 /nfs/dbraw/zinc/04/99/46/188049946.db2.gz MTEBLEYYLDQOIF-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN C([C@@H]1CCCOC1)N1CCO[C@@]2(CCOC2)C1 ZINC000346153741 188052204 /nfs/dbraw/zinc/05/22/04/188052204.db2.gz RCUGFLMSGFJNMH-STQMWFEESA-N 0 3 241.331 0.904 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000331753719 188052725 /nfs/dbraw/zinc/05/27/25/188052725.db2.gz CLWMXEXYUHXOAU-GXFFZTMASA-N 0 3 242.363 0.992 20 0 BCADHN CC(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1N ZINC000331946240 188052769 /nfs/dbraw/zinc/05/27/69/188052769.db2.gz SLDRVDOOTKLKSV-VLEAKVRGSA-N 0 3 226.320 0.511 20 0 BCADHN CC(C)[C@H](CO)C(=O)NCC1(N(C)C)CCC1 ZINC000332045429 188052861 /nfs/dbraw/zinc/05/28/61/188052861.db2.gz MEFFEWNMFCGOOB-NSHDSACASA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)(O)C[N@@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000332437288 188052901 /nfs/dbraw/zinc/05/29/01/188052901.db2.gz WIGSGLBNWWKUIE-QMMMGPOBSA-N 0 3 210.281 0.365 20 0 BCADHN CC(C)(O)C[N@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000332437288 188052902 /nfs/dbraw/zinc/05/29/02/188052902.db2.gz WIGSGLBNWWKUIE-QMMMGPOBSA-N 0 3 210.281 0.365 20 0 BCADHN CC(C)[C@@H](O)C[N@@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000332420982 188052934 /nfs/dbraw/zinc/05/29/34/188052934.db2.gz SCYDULLXOXATRD-UWVGGRQHSA-N 0 3 224.308 0.611 20 0 BCADHN CC(C)[C@@H](O)C[N@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000332420982 188052936 /nfs/dbraw/zinc/05/29/36/188052936.db2.gz SCYDULLXOXATRD-UWVGGRQHSA-N 0 3 224.308 0.611 20 0 BCADHN CC1(C)C[C@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000333815575 188053922 /nfs/dbraw/zinc/05/39/22/188053922.db2.gz QHIYDNLVTSNBCV-RKDXNWHRSA-N 0 3 227.308 0.073 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)N1CCN(C)CC[C@@H]1C ZINC000336520237 188057440 /nfs/dbraw/zinc/05/74/40/188057440.db2.gz UDCKEASUTLIKRJ-UWVGGRQHSA-N 0 3 241.335 0.064 20 0 BCADHN COCCCCNC(=O)NC1CCN(C)CC1 ZINC000047886222 353155118 /nfs/dbraw/zinc/15/51/18/353155118.db2.gz RRQLDNRPPPUAJB-UHFFFAOYSA-N 0 3 243.351 0.806 20 0 BCADHN CC(=O)N[C@H](C)C(=O)NC1(CN(C)C)CCC1 ZINC000341968419 188044439 /nfs/dbraw/zinc/04/44/39/188044439.db2.gz BZIDBSYHWAVDCB-SECBINFHSA-N 0 3 241.335 0.112 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)CCNC(N)=O ZINC000330545130 353174528 /nfs/dbraw/zinc/17/45/28/353174528.db2.gz OYQMQJUOFKZSKY-SECBINFHSA-N 0 3 242.323 0.059 20 0 BCADHN CNC(=O)CCN1CCCC[C@@H]1CNC(C)=O ZINC000626155358 538109967 /nfs/dbraw/zinc/10/99/67/538109967.db2.gz MJAOZXRKDSAERN-LLVKDONJSA-N 0 3 241.335 0.113 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H]1CCCOCC1 ZINC000261533615 535207432 /nfs/dbraw/zinc/20/74/32/535207432.db2.gz LDSRWWIDRBANND-VHSXEESVSA-N 0 3 214.309 0.655 20 0 BCADHN Cc1sc(C(N)=O)cc1NC(=O)C(C)(C)N ZINC000638988268 353220401 /nfs/dbraw/zinc/22/04/01/353220401.db2.gz CNOREAPEJWWERJ-UHFFFAOYSA-N 0 3 241.316 0.831 20 0 BCADHN CC[C@@H](O)CC(=O)NCCN1CCC[C@@H](C)C1 ZINC000331344433 353245130 /nfs/dbraw/zinc/24/51/30/353245130.db2.gz ZWFIUCGADLYAOV-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H]1OCC[C@H]1NCC(=O)NC1CCCC1 ZINC000134546429 538112821 /nfs/dbraw/zinc/11/28/21/538112821.db2.gz SLYQCCYMXGJLRB-GXSJLCMTSA-N 0 3 226.320 0.812 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccnn1CC1CCC1 ZINC000639004033 353253499 /nfs/dbraw/zinc/25/34/99/353253499.db2.gz FLGRMEZQPMEHHM-MRVPVSSYSA-N 0 3 222.292 0.969 20 0 BCADHN CCOC1CC(C(=O)NCCN(C)CC)C1 ZINC000353768922 353258915 /nfs/dbraw/zinc/25/89/15/353258915.db2.gz QIUGYCBQUFFTDP-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN CNCC(=O)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000638998071 353240265 /nfs/dbraw/zinc/24/02/65/353240265.db2.gz DWLOQFSUINEXCJ-ZYHUDNBSSA-N 0 3 226.320 0.670 20 0 BCADHN CC(C)[C@H]1CN(C(=O)C2(N)CC2)CCN1C ZINC000639018581 353274610 /nfs/dbraw/zinc/27/46/10/353274610.db2.gz ONWHQZUCZSJFIJ-SNVBAGLBSA-N 0 3 225.336 0.276 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H]1CCCn2nccc21 ZINC000639022317 353277634 /nfs/dbraw/zinc/27/76/34/353277634.db2.gz LOARSHLPDCWTQR-UWVGGRQHSA-N 0 3 236.319 0.832 20 0 BCADHN CS[C@H](C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188802189 353266699 /nfs/dbraw/zinc/26/66/99/353266699.db2.gz DRULHVYNKBJSRV-GJMOJQLCSA-N 0 3 220.313 0.554 20 0 BCADHN CC(C)[C@H](O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000353238117 188234476 /nfs/dbraw/zinc/23/44/76/188234476.db2.gz XBYYDQZBWUFGMT-WOPDTQHZSA-N 0 3 242.363 0.802 20 0 BCADHN Cc1ccnc([C@@H](C)NC[C@H](O)CN(C)C)c1 ZINC000353506462 188234528 /nfs/dbraw/zinc/23/45/28/188234528.db2.gz YPUCEPFULQCAKY-NEPJUHHUSA-N 0 3 237.347 0.963 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000353309928 188235160 /nfs/dbraw/zinc/23/51/60/188235160.db2.gz QVKXPUGEOZKGFN-VWYCJHECSA-N 0 3 228.336 0.602 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000354759204 188236672 /nfs/dbraw/zinc/23/66/72/188236672.db2.gz GCUNNGMVCJJJPY-RYUDHWBXSA-N 0 3 242.363 0.992 20 0 BCADHN CC(C)N(C)CC(=O)NCCN1CC=CCC1 ZINC000355368445 188236721 /nfs/dbraw/zinc/23/67/21/188236721.db2.gz SXQHOQKRNWZSAO-UHFFFAOYSA-N 0 3 239.363 0.705 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H](O)C1)N(C)C ZINC000356630632 188238782 /nfs/dbraw/zinc/23/87/82/188238782.db2.gz XMBCDRVFKHIGHN-QJPTWQEYSA-N 0 3 242.363 0.850 20 0 BCADHN CC(C)[N@H+](C)CCCN=c1ncnc2[nH][n-]cc1-2 ZINC000358746741 188240227 /nfs/dbraw/zinc/24/02/27/188240227.db2.gz YYFATDIONJSXCP-UHFFFAOYSA-N 0 3 248.334 0.869 20 0 BCADHN CC(C)[N@@H+](C)CCCN=c1ncnc2[nH][n-]cc1-2 ZINC000358746741 188240229 /nfs/dbraw/zinc/24/02/29/188240229.db2.gz YYFATDIONJSXCP-UHFFFAOYSA-N 0 3 248.334 0.869 20 0 BCADHN CC[C@H](O)[C@@H]1CCCCN1CC(=O)N1CCC1 ZINC000358201458 188240292 /nfs/dbraw/zinc/24/02/92/188240292.db2.gz WGTOATGMIAVVHH-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)C[C@@H](CO)NC(=O)N[C@@H](C)CN(C)C ZINC000358521897 188240603 /nfs/dbraw/zinc/24/06/03/188240603.db2.gz JTPUVOMUXVTIBF-QWRGUYRKSA-N 0 3 245.367 0.643 20 0 BCADHN CC(C)C[C@@H](C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000360926887 188243868 /nfs/dbraw/zinc/24/38/68/188243868.db2.gz XUCGYWAOBMOXJX-DGCLKSJQSA-N 0 3 242.363 0.851 20 0 BCADHN COc1ccc(CN2CC[C@H](CC(N)=O)C2)cn1 ZINC000368572158 188246034 /nfs/dbraw/zinc/24/60/34/188246034.db2.gz GDUMBCIHVRTTSS-SNVBAGLBSA-N 0 3 249.314 0.788 20 0 BCADHN CC[C@](C)(O)CNC(=O)C12CCCN1CCC2 ZINC000368454042 188246177 /nfs/dbraw/zinc/24/61/77/188246177.db2.gz IXVPIVCIHAPRTJ-LBPRGKRZSA-N 0 3 240.347 0.892 20 0 BCADHN CC(C)=CC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000372728238 188249065 /nfs/dbraw/zinc/24/90/65/188249065.db2.gz RHNFRNZCQGKWHJ-GFCCVEGCSA-N 0 3 240.347 0.868 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000374451707 188250689 /nfs/dbraw/zinc/25/06/89/188250689.db2.gz IIJOUVZNIDXZND-PSIUFMSWSA-N 0 3 240.347 0.589 20 0 BCADHN C[C@H](O)c1ccc(CNC(=O)CN)cc1 ZINC000178038230 188253345 /nfs/dbraw/zinc/25/33/45/188253345.db2.gz NSRQUXUUZZOMML-QMMMGPOBSA-N 0 3 208.261 0.315 20 0 BCADHN C[C@H](N)C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000251819492 353292886 /nfs/dbraw/zinc/29/28/86/353292886.db2.gz OWWCSQBRLBTKBL-VWYCJHECSA-N 0 3 225.336 0.419 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@H](C)Cn1ccnc1 ZINC000036999434 188255140 /nfs/dbraw/zinc/25/51/40/188255140.db2.gz VVSQTLKZFHGHSI-GHMZBOCLSA-N 0 3 238.335 0.761 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000036999432 188255477 /nfs/dbraw/zinc/25/54/77/188255477.db2.gz VVSQTLKZFHGHSI-WDEREUQCSA-N 0 3 238.335 0.761 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H](C)CO)N(C)C ZINC000125520609 188257803 /nfs/dbraw/zinc/25/78/03/188257803.db2.gz ZUEMOHVQUMMQCG-DTWKUNHWSA-N 0 3 202.298 0.070 20 0 BCADHN CCN(CCNC(=O)[C@@H]1CC[C@@H](O)C1)C1CC1 ZINC000343272538 353295262 /nfs/dbraw/zinc/29/52/62/353295262.db2.gz MXDJJXCMKIIGMK-ZYHUDNBSSA-N 0 3 240.347 0.748 20 0 BCADHN C/C=C/C=C/C(=O)NCC1(O)CCN(C)CC1 ZINC000266764835 188260854 /nfs/dbraw/zinc/26/08/54/188260854.db2.gz OOFGRBODXIIKLA-VNKDHWASSA-N 0 3 238.331 0.692 20 0 BCADHN CC[C@@H]1CN(Cc2cccnc2N)C[C@H]1O ZINC000295894661 188268885 /nfs/dbraw/zinc/26/88/85/188268885.db2.gz BYTJYDHADDBMPH-MWLCHTKSSA-N 0 3 221.304 0.867 20 0 BCADHN CCOCCCNC(=O)[C@@H](C)NC1CC1 ZINC000336771955 353310558 /nfs/dbraw/zinc/31/05/58/353310558.db2.gz XFYCTRHYVDTFSM-SECBINFHSA-N 0 3 214.309 0.670 20 0 BCADHN CC(C)COC[C@@H](O)CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367834683 188277044 /nfs/dbraw/zinc/27/70/44/188277044.db2.gz WGXJSICPNFBNSM-WUHRBBMRSA-N 0 3 243.347 0.190 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCCn1ccnc1 ZINC000020506376 188282491 /nfs/dbraw/zinc/28/24/91/188282491.db2.gz GMBAOBVLOVGQPX-JTQLQIEISA-N 0 3 224.308 0.373 20 0 BCADHN C[C@@H]1C[C@@H](C)CN(C(=O)C[C@H]2CNCCO2)C1 ZINC000252166260 353296979 /nfs/dbraw/zinc/29/69/79/353296979.db2.gz QMRUCQHUNAUPSJ-UTUOFQBUSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)[C@H](C)N(C)CC(=O)N1CCNCC1 ZINC000036787400 188286504 /nfs/dbraw/zinc/28/65/04/188286504.db2.gz YAGPAXUHRDBWEO-NSHDSACASA-N 0 3 227.352 0.395 20 0 BCADHN CC(C)N(CC[C@H]1CCCO1)CC(N)=O ZINC000188641764 188290592 /nfs/dbraw/zinc/29/05/92/188290592.db2.gz GAXIQCFHZKFGKO-SNVBAGLBSA-N 0 3 214.309 0.751 20 0 BCADHN CN(C(=O)c1cn[nH]c1)[C@@H]1CCCN(C)C1 ZINC000053250371 188300153 /nfs/dbraw/zinc/30/01/53/188300153.db2.gz RTELLRAYNZKBAK-SNVBAGLBSA-N 0 3 222.292 0.576 20 0 BCADHN C[C@@H]1CN(C(=O)c2cnccn2)[C@@H](C)CN1 ZINC000062610088 188303043 /nfs/dbraw/zinc/30/30/43/188303043.db2.gz VVPUAQIDQNKTMA-BDAKNGLRSA-N 0 3 220.276 0.299 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@H]1C[C@H](C)O ZINC000252697065 353303840 /nfs/dbraw/zinc/30/38/40/353303840.db2.gz FFRXCJKKMUPAMC-UMNHJUIQSA-N 0 3 240.347 0.889 20 0 BCADHN CCCCNC(=O)[C@H](C)N1CC[C@H]([C@H](C)O)C1 ZINC000252770318 353304076 /nfs/dbraw/zinc/30/40/76/353304076.db2.gz KXVDDNAMCINVNM-SRVKXCTJSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCn2nccc21 ZINC000639034233 353305403 /nfs/dbraw/zinc/30/54/03/353305403.db2.gz AWSBUKSAJFOLSJ-SCZZXKLOSA-N 0 3 222.292 0.603 20 0 BCADHN CNC(=O)CCNCc1cnn(C(C)C)c1 ZINC000074371837 188307001 /nfs/dbraw/zinc/30/70/01/188307001.db2.gz UJUHTDZAYVDLIN-UHFFFAOYSA-N 0 3 224.308 0.690 20 0 BCADHN Cc1ccc(O)c(CNCCNC(=O)C2CC2)n1 ZINC000134333694 188259082 /nfs/dbraw/zinc/25/90/82/188259082.db2.gz MKWVQPYLZJWLBQ-UHFFFAOYSA-N 0 3 249.314 0.711 20 0 BCADHN CCCNC(=O)CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252882085 353313274 /nfs/dbraw/zinc/31/32/74/353313274.db2.gz UCZWCRZQKHIMHN-GARJFASQSA-N 0 3 226.320 0.215 20 0 BCADHN Cc1ccc(OCCNC(=O)C2(N)CC2)cc1 ZINC000083360954 188315749 /nfs/dbraw/zinc/31/57/49/188315749.db2.gz AUIIIKZTSFZYOK-UHFFFAOYSA-N 0 3 234.299 0.981 20 0 BCADHN C[C@@H](C[C@H]1CCCC(=O)N1)NC1(C(N)=O)CC1 ZINC000639042076 353322803 /nfs/dbraw/zinc/32/28/03/353322803.db2.gz ASHCJIGAGFKSSU-DTWKUNHWSA-N 0 3 239.319 0.041 20 0 BCADHN CSC[C@@H](C)NC(=O)[C@H](N)C(C)C ZINC000127653630 188316765 /nfs/dbraw/zinc/31/67/65/188316765.db2.gz GZRYUQGZRHBANO-HTQZYQBOSA-N 0 3 204.339 0.837 20 0 BCADHN CC(C)(N)C(=O)NCCc1cn2ccccc2n1 ZINC000083883837 188317225 /nfs/dbraw/zinc/31/72/25/188317225.db2.gz GVQHATWUYKFKER-UHFFFAOYSA-N 0 3 246.314 0.730 20 0 BCADHN CC(C)(C[NH3+])C(=O)Nc1ncccc1[O-] ZINC000128614079 188317444 /nfs/dbraw/zinc/31/74/44/188317444.db2.gz FVRWCDHHLSEXFS-UHFFFAOYSA-N 0 3 209.249 0.711 20 0 BCADHN CCC[C@@H](CNC1(C(N)=O)CC1)OC ZINC000639043412 353326747 /nfs/dbraw/zinc/32/67/47/353326747.db2.gz VVMKLVZWLSZBBO-QMMMGPOBSA-N 0 3 200.282 0.409 20 0 BCADHN CC[C@@H](C(=O)N1CC(O)(CC)C1)N(C)C ZINC000412325671 191275198 /nfs/dbraw/zinc/27/51/98/191275198.db2.gz AKDYVIPBKXUJHN-VIFPVBQESA-N 0 3 214.309 0.310 20 0 BCADHN C(C[C@@H]1CCO1)CN1CCN2CCOC[C@H]2C1 ZINC000639058147 353363689 /nfs/dbraw/zinc/36/36/89/353363689.db2.gz HUQAMDAZWPOEOU-CHWSQXEVSA-N 0 3 240.347 0.572 20 0 BCADHN CC[C@@H](C)[C@@](C)(O)CNCc1cnnn1C ZINC000165499084 353364708 /nfs/dbraw/zinc/36/47/08/353364708.db2.gz YXMAMALJETUWIZ-KOLCDFICSA-N 0 3 226.324 0.702 20 0 BCADHN Cc1nn(C)cc1CNC[C@H]1CCCN1C ZINC000126222901 188330579 /nfs/dbraw/zinc/33/05/79/188330579.db2.gz PKLNRYPJAJHYAX-GFCCVEGCSA-N 0 3 222.336 0.912 20 0 BCADHN CC(=O)NCCCN1CCN(CC2CC2)CC1 ZINC000165408468 353350661 /nfs/dbraw/zinc/35/06/61/353350661.db2.gz PBNDOQCOYPANAF-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN Cc1ccsc1CNC[C@](C)(O)CO ZINC000085251223 538116141 /nfs/dbraw/zinc/11/61/41/538116141.db2.gz YTBSCBBMFIPVNU-JTQLQIEISA-N 0 3 215.318 0.889 20 0 BCADHN CC(C)N1CC[C@H](N(C)C(=O)[C@H](C)O)C1 ZINC000335103962 188357009 /nfs/dbraw/zinc/35/70/09/188357009.db2.gz GJRXIZPXXMQERJ-UWVGGRQHSA-N 0 3 214.309 0.308 20 0 BCADHN Cc1ccsc1CNC[C@@](C)(O)CO ZINC000085251225 538116181 /nfs/dbraw/zinc/11/61/81/538116181.db2.gz YTBSCBBMFIPVNU-SNVBAGLBSA-N 0 3 215.318 0.889 20 0 BCADHN CC(C)[C@H](C(=O)N1CCCOC1)N(C)C ZINC000334506597 353369503 /nfs/dbraw/zinc/36/95/03/353369503.db2.gz JPHAIJQUOXVXKZ-SNVBAGLBSA-N 0 3 214.309 0.779 20 0 BCADHN C[C@](O)(CO)CNCc1ccc(F)cc1 ZINC000085250868 538116326 /nfs/dbraw/zinc/11/63/26/538116326.db2.gz ZOJMTDRPKCHDJO-LLVKDONJSA-N 0 3 213.252 0.659 20 0 BCADHN O=c1ccc(CN2CC[C@@H](n3cncn3)C2)c[nH]1 ZINC000639061904 353370592 /nfs/dbraw/zinc/37/05/92/353370592.db2.gz SBDJBGXHULYGRJ-LLVKDONJSA-N 0 3 245.286 0.826 20 0 BCADHN CC[C@@H]1[C@H](C)CCN1Cc1cnc(N)nc1N ZINC000639064398 353374447 /nfs/dbraw/zinc/37/44/47/353374447.db2.gz ATYOPTBUQUKEDI-PSASIEDQSA-N 0 3 235.335 0.922 20 0 BCADHN CCc1ncc(CNC[C@@H](O)CO)s1 ZINC000085246306 538116426 /nfs/dbraw/zinc/11/64/26/538116426.db2.gz OAALSQLDHFWVAE-SSDOTTSWSA-N 0 3 216.306 0.148 20 0 BCADHN CC(=O)N1CCCN(C[C@@H](O)C(C)C)CC1 ZINC000300853751 188348440 /nfs/dbraw/zinc/34/84/40/188348440.db2.gz HTQRVQNCLQAASJ-GFCCVEGCSA-N 0 3 228.336 0.558 20 0 BCADHN CCN(C)C(=O)CNC[C@H](OC)[C@@H]1CCOC1 ZINC000639067408 353381071 /nfs/dbraw/zinc/38/10/71/353381071.db2.gz XCHRWOABAZTSQG-MNOVXSKESA-N 0 3 244.335 0.106 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1CCO[C@@H](C)C1 ZINC000019434823 188350104 /nfs/dbraw/zinc/35/01/04/188350104.db2.gz MNNFFQXHERUZKL-VHSXEESVSA-N 0 3 214.309 0.607 20 0 BCADHN C[C@H]1C[C@@H](C(=O)N(C)C2CCN(C)CC2)CO1 ZINC000335853641 188351219 /nfs/dbraw/zinc/35/12/19/188351219.db2.gz LFBVAOLTCWZXCN-WDEREUQCSA-N 0 3 240.347 0.964 20 0 BCADHN CCOC(C)(C)CNCc1cnc(N)nc1N ZINC000639083268 353423011 /nfs/dbraw/zinc/42/30/11/353423011.db2.gz AWPYTBCRGWGPIL-UHFFFAOYSA-N 0 3 239.323 0.206 20 0 BCADHN CC(C)[C@@H](O)CN1CCSC[C@H]1CCO ZINC000336703199 188359477 /nfs/dbraw/zinc/35/94/77/188359477.db2.gz QKUIQLNXMJMAEY-MNOVXSKESA-N 0 3 233.377 0.803 20 0 BCADHN CC(C)[C@H]1CCCN1CCNS(C)(=O)=O ZINC000337350678 188361060 /nfs/dbraw/zinc/36/10/60/188361060.db2.gz SYYYULJMRZYBQD-SNVBAGLBSA-N 0 3 234.365 0.656 20 0 BCADHN COC[C@@H](CC(C)C)N[C@H](C)C(N)=O ZINC000308616436 538116976 /nfs/dbraw/zinc/11/69/76/538116976.db2.gz RVUDYRDTZCCNHW-RKDXNWHRSA-N 0 3 202.298 0.511 20 0 BCADHN CC[C@H](NC(=O)C[C@@H]1CNCCO1)C(F)F ZINC000639076343 353402198 /nfs/dbraw/zinc/40/21/98/353402198.db2.gz AVAKUAKMYWLYBS-SFYZADRCSA-N 0 3 236.262 0.525 20 0 BCADHN CC(C)(O)CCN1CC[C@@](F)(CO)C1 ZINC000338587290 188366710 /nfs/dbraw/zinc/36/67/10/188366710.db2.gz IBZYVGRQGQYEMR-JTQLQIEISA-N 0 3 205.273 0.554 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CO[C@@H](C)C1)N(C)C ZINC000412394003 191278795 /nfs/dbraw/zinc/27/87/95/191278795.db2.gz KSJGIVWEQQZXQM-GUBZILKMSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1[C@H](C)C1(F)F)N(C)C ZINC000412392003 191278991 /nfs/dbraw/zinc/27/89/91/191278991.db2.gz AOUNNLBXAYZLSQ-BIIVOSGPSA-N 0 3 220.263 0.954 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N(C)CC1CC(O)C1 ZINC000091499159 353408681 /nfs/dbraw/zinc/40/86/81/353408681.db2.gz VPNGROUSGYMVCW-UNXYVOJBSA-N 0 3 242.363 0.850 20 0 BCADHN CCCCNC(=O)C1CCN(CCO)CC1 ZINC000081671273 353412083 /nfs/dbraw/zinc/41/20/83/353412083.db2.gz KLWZHRZXROYHHC-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN CC(C)C[C@@H](CN(C)C)NC(=O)C1(O)CCC1 ZINC000332033731 188369608 /nfs/dbraw/zinc/36/96/08/188369608.db2.gz IBKGKUDIAHWCKE-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN CCn1cccc(CNC[C@H](C)O)c1=O ZINC000577860173 366088315 /nfs/dbraw/zinc/08/83/15/366088315.db2.gz RESCHHACUVBYIN-VIFPVBQESA-N 0 3 210.277 0.339 20 0 BCADHN CC[C@@H](C(=O)N1CCn2cncc2C1)N(C)C ZINC000291059452 188390608 /nfs/dbraw/zinc/39/06/08/188390608.db2.gz HSBAAFYKQFKUIT-NSHDSACASA-N 0 3 236.319 0.566 20 0 BCADHN CSCCN(C)CC1(CO)COC1 ZINC000152534512 324122307 /nfs/dbraw/zinc/12/23/07/324122307.db2.gz PHZATMDSJPGGTR-UHFFFAOYSA-N 0 3 205.323 0.290 20 0 BCADHN COc1cncc(C(=O)N(C)CCN(C)C)n1 ZINC000276594587 188380075 /nfs/dbraw/zinc/38/00/75/188380075.db2.gz ALVFUFAQTQMLPB-UHFFFAOYSA-N 0 3 238.291 0.119 20 0 BCADHN COC[C@@H]1CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000227085093 363226300 /nfs/dbraw/zinc/22/63/00/363226300.db2.gz KINBWDKHOIXILH-HTQZYQBOSA-N 0 3 227.226 0.878 20 0 BCADHN CC(C)[C@H](O)CN1CCN2CCOC[C@@H]2C1 ZINC000366598408 188384665 /nfs/dbraw/zinc/38/46/65/188384665.db2.gz ZYRHTOMGJMHHDF-NWDGAFQWSA-N 0 3 228.336 0.020 20 0 BCADHN CO[C@@H](C)CN(C)CCN1CCO[C@@H](C)C1 ZINC000353200286 188385559 /nfs/dbraw/zinc/38/55/59/188385559.db2.gz IOSBKQNHZZUGQK-RYUDHWBXSA-N 0 3 230.352 0.674 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H](CO)C1)N(C)C ZINC000340315641 188388952 /nfs/dbraw/zinc/38/89/52/188388952.db2.gz JKZSFFQUJSBATB-ZJUUUORDSA-N 0 3 214.309 0.167 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)c1cncn1C ZINC000289664324 188389482 /nfs/dbraw/zinc/38/94/82/188389482.db2.gz CYQOUXSDSLGTDK-UHFFFAOYSA-N 0 3 238.335 0.832 20 0 BCADHN CCc1nnc(CN[C@H]2CCOC[C@@H]2C)[nH]1 ZINC000336776946 353483292 /nfs/dbraw/zinc/48/32/92/353483292.db2.gz GYTPPTWSONXZJN-IUCAKERBSA-N 0 3 224.308 0.882 20 0 BCADHN CCc1nnc(C[NH2+][C@H]2CCOC[C@@H]2C)[n-]1 ZINC000336776946 353483294 /nfs/dbraw/zinc/48/32/94/353483294.db2.gz GYTPPTWSONXZJN-IUCAKERBSA-N 0 3 224.308 0.882 20 0 BCADHN CC(C)(N)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000040923727 188396794 /nfs/dbraw/zinc/39/67/94/188396794.db2.gz JQZCBTNAMNSJKV-NXEZZACHSA-N 0 3 226.320 0.894 20 0 BCADHN CC(=O)N1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000040464082 188397095 /nfs/dbraw/zinc/39/70/95/188397095.db2.gz ULDPJAMHJRKGPH-SNVBAGLBSA-N 0 3 241.335 0.051 20 0 BCADHN CC(C)(O)CCN1CC[C@H](N2CCCC2=O)C1 ZINC000340995193 188397844 /nfs/dbraw/zinc/39/78/44/188397844.db2.gz JCOMAOMUWNLIRO-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN COCCC1(C(=O)NC[C@H](C)N(C)C)CC1 ZINC000412388471 191281676 /nfs/dbraw/zinc/28/16/76/191281676.db2.gz MZODAOGAMRUHHS-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NCC(C)(C)C(N)=O)C1 ZINC000230390023 353492120 /nfs/dbraw/zinc/49/21/20/353492120.db2.gz VWZWYNINTVUYQO-BDAKNGLRSA-N 0 3 241.335 0.002 20 0 BCADHN CCC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000572498625 324134670 /nfs/dbraw/zinc/13/46/70/324134670.db2.gz YYQLLSMUCZLYBI-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](O)C1 ZINC000412408659 191283223 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/nfs/dbraw/zinc/50/21/59/353502159.db2.gz FFVAPVCVMIBBEB-NSHDSACASA-N 0 3 214.309 0.345 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)Cn1cccn1 ZINC000193173923 353582908 /nfs/dbraw/zinc/58/29/08/353582908.db2.gz SCDJLHAGSVRDDM-LLVKDONJSA-N 0 3 236.319 0.484 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000192593906 353559341 /nfs/dbraw/zinc/55/93/41/353559341.db2.gz ISBGTXMBQDOPDR-AGIUHOORSA-N 0 3 248.326 0.744 20 0 BCADHN CCN(CCN1C(=O)CNC1=O)C1CC1 ZINC000192830357 353569761 /nfs/dbraw/zinc/56/97/61/353569761.db2.gz SRTDKUXZHJCAAH-UHFFFAOYSA-N 0 3 211.265 0.023 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@@H](COCCOC)C1 ZINC000577866475 366091414 /nfs/dbraw/zinc/09/14/14/366091414.db2.gz QQEFXRQNQIZIDD-GHMZBOCLSA-N 0 3 244.335 0.235 20 0 BCADHN COc1nccc(CNCCCN2CCC2)n1 ZINC000577865519 366091527 /nfs/dbraw/zinc/09/15/27/366091527.db2.gz DLVHYURUMANRRD-UHFFFAOYSA-N 0 3 236.319 0.671 20 0 BCADHN CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)C(C)C ZINC000194097620 353617666 /nfs/dbraw/zinc/61/76/66/353617666.db2.gz 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CCC[C@H](CN[C@H]1C(=O)NCC[C@H]1C)OC ZINC000639137271 353845648 /nfs/dbraw/zinc/84/56/48/353845648.db2.gz VYSVBQXAQYQXKL-GMTAPVOTSA-N 0 3 228.336 0.916 20 0 BCADHN COC[C@H](O)CNCc1cccc(F)c1N ZINC000639143864 353850287 /nfs/dbraw/zinc/85/02/87/353850287.db2.gz PCOYXAUQKKVFBX-SECBINFHSA-N 0 3 228.267 0.505 20 0 BCADHN Cc1ncncc1C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343545016 353918441 /nfs/dbraw/zinc/91/84/41/353918441.db2.gz NSHYCGBJZBDBHF-JQWIXIFHSA-N 0 3 248.330 0.998 20 0 BCADHN Cc1ncncc1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343545018 353918519 /nfs/dbraw/zinc/91/85/19/353918519.db2.gz NSHYCGBJZBDBHF-ZYHUDNBSSA-N 0 3 248.330 0.998 20 0 BCADHN CCCN1CCC[C@@H]1CNC(=O)[C@@H](C)O ZINC000343555223 353919967 /nfs/dbraw/zinc/91/99/67/353919967.db2.gz ALEYQVXOHZROAI-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)Cn2cccn2)CCCN1C ZINC000343528871 353929000 /nfs/dbraw/zinc/92/90/00/353929000.db2.gz MDKKNJYHAZWFNO-MNOVXSKESA-N 0 3 236.319 0.482 20 0 BCADHN CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c[n-]nn1 ZINC000343602687 353931143 /nfs/dbraw/zinc/93/11/43/353931143.db2.gz KKTVKBLADISLHN-VIFPVBQESA-N 0 3 237.307 0.409 20 0 BCADHN CCC[N@H+]1CCC[C@H]1CNC(=O)c1c[n-]nn1 ZINC000343602687 353931145 /nfs/dbraw/zinc/93/11/45/353931145.db2.gz KKTVKBLADISLHN-VIFPVBQESA-N 0 3 237.307 0.409 20 0 BCADHN CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn[n-]1 ZINC000343602687 353931148 /nfs/dbraw/zinc/93/11/48/353931148.db2.gz KKTVKBLADISLHN-VIFPVBQESA-N 0 3 237.307 0.409 20 0 BCADHN CCC[N@H+]1CCC[C@H]1CNC(=O)c1cnn[n-]1 ZINC000343602687 353931150 /nfs/dbraw/zinc/93/11/50/353931150.db2.gz KKTVKBLADISLHN-VIFPVBQESA-N 0 3 237.307 0.409 20 0 BCADHN C[C@H]1[C@H](Nc2cncc(C(N)=O)n2)CCCN1C ZINC000343602850 353931503 /nfs/dbraw/zinc/93/15/03/353931503.db2.gz MFJNNDIFUCJKSB-DTWKUNHWSA-N 0 3 249.318 0.470 20 0 BCADHN CCOCCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343610568 353932281 /nfs/dbraw/zinc/93/22/81/353932281.db2.gz CWDRGQNXLDUEBT-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN 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354017753 /nfs/dbraw/zinc/01/77/53/354017753.db2.gz PPGZRKWIFYNLCC-LLVKDONJSA-N 0 3 241.335 0.511 20 0 BCADHN CCCN(C)CC(=O)N(C)CC(C)(C)O ZINC000343783040 354018110 /nfs/dbraw/zinc/01/81/10/354018110.db2.gz UOFPJXYHBTVFPY-UHFFFAOYSA-N 0 3 216.325 0.558 20 0 BCADHN Cc1cncc([C@@H](C)NC[C@@H](O)CN(C)C)c1 ZINC000343842807 354020200 /nfs/dbraw/zinc/02/02/00/354020200.db2.gz VLQROPQFQFKNOR-DGCLKSJQSA-N 0 3 237.347 0.963 20 0 BCADHN CCn1ncnc1CN(C)CCN(C)C ZINC000639167669 354037395 /nfs/dbraw/zinc/03/73/95/354037395.db2.gz JEBPDXTVWDNCJD-UHFFFAOYSA-N 0 3 211.313 0.291 20 0 BCADHN CC(=O)N1CCCN(CCOC(C)C)CC1 ZINC000053457422 363302799 /nfs/dbraw/zinc/30/27/99/363302799.db2.gz LXGZYTUHDMLVFQ-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CC(C)(C)[C@H](O)CN1CC[C@](F)(CO)C1 ZINC000343973627 354077829 /nfs/dbraw/zinc/07/78/29/354077829.db2.gz PMYLZYUNBAEJJU-MWLCHTKSSA-N 0 3 219.300 0.800 20 0 BCADHN COC[C@H](C)NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343926078 354044008 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0 BCADHN CCOC[C@@H](NCC(=O)NC)C(C)C ZINC000233725231 363406312 /nfs/dbraw/zinc/40/63/12/363406312.db2.gz GJKLXFSHRMFPJJ-SECBINFHSA-N 0 3 202.298 0.383 20 0 BCADHN CCOC[C@H](NC(=O)CNC)C(C)C ZINC000233747446 363406791 /nfs/dbraw/zinc/40/67/91/363406791.db2.gz FDUZSHKCHQFXHI-VIFPVBQESA-N 0 3 202.298 0.383 20 0 BCADHN C[C@@H](CNC(=O)N1CCOC[C@@H](C)C1)N(C)C ZINC000335146143 354856274 /nfs/dbraw/zinc/85/62/74/354856274.db2.gz ILIIIEPSHCLDES-QWRGUYRKSA-N 0 3 243.351 0.614 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1coc(C(N)=O)c1 ZINC000346259584 354883527 /nfs/dbraw/zinc/88/35/27/354883527.db2.gz KIXKGHMALWHKFP-SSDOTTSWSA-N 0 3 239.275 0.058 20 0 BCADHN CC(=O)c1c[nH]c(C(=O)N[C@@H](C)CN(C)C)c1 ZINC000346266077 354884732 /nfs/dbraw/zinc/88/47/32/354884732.db2.gz OOTYGIBYWMDVBR-QMMMGPOBSA-N 0 3 237.303 0.897 20 0 BCADHN CSCC[C@@H](O)C(=O)N[C@H](C)CN(C)C ZINC000346264584 354885055 /nfs/dbraw/zinc/88/50/55/354885055.db2.gz NXQNSNYFSQPYCV-RKDXNWHRSA-N 0 3 234.365 0.167 20 0 BCADHN CCc1nn(C)cc1CN[C@H]1CCC[C@@H]1O ZINC000162717974 363438273 /nfs/dbraw/zinc/43/82/73/363438273.db2.gz ATLBBRMNFNHTPR-RYUDHWBXSA-N 0 3 223.320 0.986 20 0 BCADHN C[C@@H](O)CCCN1CCN(C)C[C@@H]1C ZINC000235225810 363439798 /nfs/dbraw/zinc/43/97/98/363439798.db2.gz ZGNULDIHEIGJQY-WDEREUQCSA-N 0 3 200.326 0.783 20 0 BCADHN CCCN(CC)CC(=O)NCCC(=O)OC ZINC000346305230 354891313 /nfs/dbraw/zinc/89/13/13/354891313.db2.gz TZXXCDVHNRJPMN-UHFFFAOYSA-N 0 3 230.308 0.398 20 0 BCADHN CC[C@H](C)[C@@H](CN1CCOC[C@@H](O)C1)OC ZINC000639221560 354893055 /nfs/dbraw/zinc/89/30/55/354893055.db2.gz FPQXFKADVDUFBG-SDDRHHMPSA-N 0 3 231.336 0.741 20 0 BCADHN CCn1cnc(C(=O)NCC2=CCN(C)CC2)c1 ZINC000613267028 354908720 /nfs/dbraw/zinc/90/87/20/354908720.db2.gz UTLUHJDFKPDMMW-UHFFFAOYSA-N 0 3 248.330 0.895 20 0 BCADHN COC(=O)CCCN1C[C@@H](OC)[C@@H](OC)C1 ZINC000234787214 363430017 /nfs/dbraw/zinc/43/00/17/363430017.db2.gz FZCPGWGCAHYQRH-AOOOYVTPSA-N 0 3 231.292 0.285 20 0 BCADHN COC(=O)CCCN1CC[C@@H](OC)C1 ZINC000234824677 363432536 /nfs/dbraw/zinc/43/25/36/363432536.db2.gz NICBLBNAUUUKHW-SECBINFHSA-N 0 3 201.266 0.660 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1ccc2nc[nH]c2n1 ZINC000346256335 354881423 /nfs/dbraw/zinc/88/14/23/354881423.db2.gz IOZOQRSDVVXWSI-MRVPVSSYSA-N 0 3 247.302 0.638 20 0 BCADHN CC(C)(C)N1CC[C@@H](N2CC[C@@H](CO)C2)C1=O ZINC000335171211 354935453 /nfs/dbraw/zinc/93/54/53/354935453.db2.gz XYCOXRIUBASMLI-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CN(C(=O)CN)CCN1CC(F)(F)F ZINC000335172813 354938132 /nfs/dbraw/zinc/93/81/32/354938132.db2.gz CATPIJIDSHSZGM-SSDOTTSWSA-N 0 3 239.241 0.040 20 0 BCADHN COC[C@H](C)CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000379440205 358493160 /nfs/dbraw/zinc/49/31/60/358493160.db2.gz QXDCXXDEPXWRCB-VWYCJHECSA-N 0 3 228.336 0.868 20 0 BCADHN O[C@H](CN1C[C@H](O)C2(CC2)C1)CC(F)(F)F ZINC000346521822 354974867 /nfs/dbraw/zinc/97/48/67/354974867.db2.gz JNSDKMZLILNKSP-YUMQZZPRSA-N 0 3 239.237 0.756 20 0 BCADHN CN1CCC[C@@H]1C(=O)NCCN1CCCCC1 ZINC000346542700 354982452 /nfs/dbraw/zinc/98/24/52/354982452.db2.gz IWHQSQHIIWGYMM-GFCCVEGCSA-N 0 3 239.363 0.683 20 0 BCADHN C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCO1 ZINC000346624144 354996521 /nfs/dbraw/zinc/99/65/21/354996521.db2.gz DHAYXIMGHIMMDP-NHCYSSNCSA-N 0 3 238.331 0.907 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N1CCCN(C)CC1 ZINC000346576361 354999419 /nfs/dbraw/zinc/99/94/19/354999419.db2.gz PURYPOAETPZIAZ-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000335202479 355036752 /nfs/dbraw/zinc/03/67/52/355036752.db2.gz CDUYJOLSLDYGJI-VXGBXAGGSA-N 0 3 241.379 0.878 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCCN(S(C)(=O)=O)CC1 ZINC000335205385 355040481 /nfs/dbraw/zinc/04/04/81/355040481.db2.gz GVGAYAPSFBEOBP-GHMZBOCLSA-N 0 3 246.376 0.610 20 0 BCADHN Cc1ccc(CCN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000335205900 355041171 /nfs/dbraw/zinc/04/11/71/355041171.db2.gz LSKUUGDMYYDUIH-STQMWFEESA-N 0 3 221.300 0.575 20 0 BCADHN COC(=O)[C@@H]1CCN([C@@H](C)C(=O)N(C)C)[C@H]1C ZINC000346662134 355005574 /nfs/dbraw/zinc/00/55/74/355005574.db2.gz WFFROSKRVSCFNR-LPEHRKFASA-N 0 3 242.319 0.347 20 0 BCADHN CCCN[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000346675372 355009195 /nfs/dbraw/zinc/00/91/95/355009195.db2.gz WLCUPAUYGLKXFS-VIFPVBQESA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)OCCN1CCCN([C@H](C)CO)CC1 ZINC000346646504 355017841 /nfs/dbraw/zinc/01/78/41/355017841.db2.gz OFURKJDACWPDTP-CYBMUJFWSA-N 0 3 244.379 0.800 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1CC(C)(C)C[C@H]1C ZINC000335189124 355020541 /nfs/dbraw/zinc/02/05/41/355020541.db2.gz KAZFERVGCBQDGO-BDAKNGLRSA-N 0 3 241.335 0.951 20 0 BCADHN C[C@@H]1NC(=O)N(CCN2CCC[C@H](C)C2)C1=O ZINC000335962842 134027475 /nfs/dbraw/zinc/02/74/75/134027475.db2.gz VTEFARMJAXQMIY-UWVGGRQHSA-N 0 3 239.319 0.659 20 0 BCADHN C[C@H]1CC(C)(C)CN1CC(=O)N1CCOCC1 ZINC000335196872 355029588 /nfs/dbraw/zinc/02/95/88/355029588.db2.gz UIUABKMQVXRPKB-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN COC1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000335183507 355081826 /nfs/dbraw/zinc/08/18/26/355081826.db2.gz YFJFHPGIBUQBNQ-ZETCQYMHSA-N 0 3 240.225 0.513 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(C)cn(C)c1=O ZINC000335218402 355057107 /nfs/dbraw/zinc/05/71/07/355057107.db2.gz NTZZQKVNXUEFER-QMMMGPOBSA-N 0 3 223.276 0.370 20 0 BCADHN CN(C)C(=O)CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000335220234 355060398 /nfs/dbraw/zinc/06/03/98/355060398.db2.gz NJPKVLJVOLBXNO-MNOVXSKESA-N 0 3 226.320 0.433 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1CCn1ccnc1 ZINC000335975395 134031015 /nfs/dbraw/zinc/03/10/15/134031015.db2.gz XILOPNYZIYBOSK-NWDGAFQWSA-N 0 3 222.336 0.908 20 0 BCADHN NC(=O)[C@H]1CCCCN1CCCCCO ZINC000113499484 355109959 /nfs/dbraw/zinc/10/99/59/355109959.db2.gz ZBUWCPFVSLGEPH-SNVBAGLBSA-N 0 3 214.309 0.489 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2ccc(C)nn2)C1 ZINC000412879831 191324907 /nfs/dbraw/zinc/32/49/07/191324907.db2.gz PSIJLYIMGHVIDL-SNVBAGLBSA-N 0 3 234.303 0.609 20 0 BCADHN CCn1cc(C(=O)N[C@H]2CCN(CC)C2)cn1 ZINC000412847566 191320423 /nfs/dbraw/zinc/32/04/23/191320423.db2.gz RUGXDMZIUAEHHD-NSHDSACASA-N 0 3 236.319 0.727 20 0 BCADHN CCN1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC000412852407 191320608 /nfs/dbraw/zinc/32/06/08/191320608.db2.gz XFWUINKIIFJNIF-SNVBAGLBSA-N 0 3 222.292 0.094 20 0 BCADHN CCN1CC[C@H](NC(=O)c2ccc(OC)cn2)C1 ZINC000412867556 191323105 /nfs/dbraw/zinc/32/31/05/191323105.db2.gz AWAJTQCHKIHEGQ-JTQLQIEISA-N 0 3 249.314 0.914 20 0 BCADHN CO[C@@]1(CN2CC[C@H](F)C2)CCOC1 ZINC000639228317 355091049 /nfs/dbraw/zinc/09/10/49/355091049.db2.gz OCSITDVEQXDMFK-VHSXEESVSA-N 0 3 203.257 0.836 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@@H](C2CCOCC2)C1 ZINC000335231588 355092643 /nfs/dbraw/zinc/09/26/43/355092643.db2.gz SXENNAIGYYSCQL-NEPJUHHUSA-N 0 3 238.331 0.623 20 0 BCADHN CCN1CC[C@H](NC(=O)N2CCC[C@H](O)C2)C1 ZINC000335234612 355095441 /nfs/dbraw/zinc/09/54/41/355095441.db2.gz CGMSOXBLUPUOJQ-QWRGUYRKSA-N 0 3 241.335 0.247 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H]1CCCN(CC)C1 ZINC000040503643 358493945 /nfs/dbraw/zinc/49/39/45/358493945.db2.gz WXLANANQACWFBT-QWRGUYRKSA-N 0 3 227.352 0.714 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](O)C1CC1)N(CC)CC ZINC000346835909 355131634 /nfs/dbraw/zinc/13/16/34/355131634.db2.gz YFOSGZYZQBXAOE-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(CC(=O)N2CCCC2)C1 ZINC000166077485 355155448 /nfs/dbraw/zinc/15/54/48/355155448.db2.gz NCJQRPWJOWZDOL-GHMZBOCLSA-N 0 3 226.320 0.312 20 0 BCADHN CC1CCN(CC(=O)N2CCN[C@@H](C)C2)CC1 ZINC000335244938 355158919 /nfs/dbraw/zinc/15/89/19/355158919.db2.gz CPAYLWLZLJLGGS-LBPRGKRZSA-N 0 3 239.363 0.539 20 0 BCADHN CC1(C)CCCN1CCNS(C)(=O)=O ZINC000335244753 355158964 /nfs/dbraw/zinc/15/89/64/355158964.db2.gz MJWLLEOIMFCXBM-UHFFFAOYSA-N 0 3 220.338 0.410 20 0 BCADHN C[C@H]1CCN(CCOCC(F)F)[C@@H]1CO ZINC000346987059 355187889 /nfs/dbraw/zinc/18/78/89/355187889.db2.gz PZOPSNORZURDGX-DTWKUNHWSA-N 0 3 223.263 0.971 20 0 BCADHN CCCN(C)[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000346997853 355195730 /nfs/dbraw/zinc/19/57/30/355195730.db2.gz OPCAYJHBTDCFCX-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CCCN(C)[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000346997856 355195811 /nfs/dbraw/zinc/19/58/11/355195811.db2.gz OPCAYJHBTDCFCX-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN Cn1nccc1CN1CCNC[C@](C)(F)C1 ZINC000335259927 355200645 /nfs/dbraw/zinc/20/06/45/355200645.db2.gz YILNRLWMOSXMSZ-NSHDSACASA-N 0 3 226.299 0.554 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C(=O)OC)C(C)C)N(C)C ZINC000413101820 191355627 /nfs/dbraw/zinc/35/56/27/191355627.db2.gz HGDLXAJBUFRHGV-NXEZZACHSA-N 0 3 244.335 0.640 20 0 BCADHN CC[C@H](N[C@H](C)Cc1cnccn1)C(=O)NC ZINC000639242334 355226850 /nfs/dbraw/zinc/22/68/50/355226850.db2.gz QVTUNCNLFCSJIG-KOLCDFICSA-N 0 3 236.319 0.522 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H]1C(=O)OC)N(C)C ZINC000413129283 191358072 /nfs/dbraw/zinc/35/80/72/191358072.db2.gz XUXYOPUUYFHKQQ-NXEZZACHSA-N 0 3 242.319 0.491 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](C)OC[C@H]1C)N(C)C ZINC000413134477 191358863 /nfs/dbraw/zinc/35/88/63/191358863.db2.gz LMLBNGMVGBDPAI-GMTAPVOTSA-N 0 3 228.336 0.962 20 0 BCADHN CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)C[NH3+])c1 ZINC000347622757 355238344 /nfs/dbraw/zinc/23/83/44/355238344.db2.gz FMTCGTNSTJTMHO-QMMMGPOBSA-N 0 3 246.336 0.090 20 0 BCADHN CC(C)COC[C@@H](O)CN1CC[C@H](O)C1 ZINC000113502687 355240881 /nfs/dbraw/zinc/24/08/81/355240881.db2.gz XJWKUERLLXSWLG-QWRGUYRKSA-N 0 3 217.309 0.087 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1nc2ccccc2[nH]1 ZINC000335280481 355244403 /nfs/dbraw/zinc/24/44/03/355244403.db2.gz LVERMZJHJFVYEL-JGVFFNPUSA-N 0 3 230.271 0.526 20 0 BCADHN CCN(C)CCNC(=O)NC[C@@H](C)CCOC ZINC000413183984 191362006 /nfs/dbraw/zinc/36/20/06/191362006.db2.gz ITTIHYREBZBKCP-NSHDSACASA-N 0 3 245.367 0.910 20 0 BCADHN CN1CCC[C@H]1C(=O)N[C@@H]1CCCN(C)C1 ZINC000623226456 355291306 /nfs/dbraw/zinc/29/13/06/355291306.db2.gz BCDHLSGRHTZHJI-MNOVXSKESA-N 0 3 225.336 0.291 20 0 BCADHN O[C@H]1C[C@@H](CNCc2cc3n(n2)CCC3)C1 ZINC000623748944 355297191 /nfs/dbraw/zinc/29/71/91/355297191.db2.gz OUWDXCJFUBBYBN-WVSHTKLVSA-N 0 3 221.304 0.690 20 0 BCADHN CCC[C@H](CN[C@@H]1COC[C@@H]1OC)OC ZINC000639258778 355304245 /nfs/dbraw/zinc/30/42/45/355304245.db2.gz MXFSEENUGQZHET-MXWKQRLJSA-N 0 3 217.309 0.805 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@H]1CS[C@@H](C)C1 ZINC000639258978 355306864 /nfs/dbraw/zinc/30/68/64/355306864.db2.gz PIOCMBHCYXERDV-QCLAVDOMSA-N 0 3 217.334 0.884 20 0 BCADHN CC(C(=O)Nc1cn(C)nn1)C(F)(F)F ZINC000335436623 355307753 /nfs/dbraw/zinc/30/77/53/355307753.db2.gz LDGJGAITYOPPKL-SCSAIBSYSA-N 0 3 222.170 0.952 20 0 BCADHN Cc1csc(NC(=O)CCOC2CNC2)n1 ZINC000348987122 355335934 /nfs/dbraw/zinc/33/59/34/355335934.db2.gz DREZQQIVNUYASD-UHFFFAOYSA-N 0 3 241.316 0.769 20 0 BCADHN COCC[C@@H](C)CNCc1ncnn1C ZINC000639261361 355313423 /nfs/dbraw/zinc/31/34/23/355313423.db2.gz JPNREIXDSXKEPX-SECBINFHSA-N 0 3 212.297 0.577 20 0 BCADHN COCC[C@H](C)CNCc1cnc(N)nc1N ZINC000639262658 355317669 /nfs/dbraw/zinc/31/76/69/355317669.db2.gz VHLNCXSQBUHGOH-QMMMGPOBSA-N 0 3 239.323 0.064 20 0 BCADHN C[C@@H]1C[C@H](CNCc2ncnn2C)[C@H](C)O1 ZINC000639263987 355320413 /nfs/dbraw/zinc/32/04/13/355320413.db2.gz KRTLANPQHHWKLA-KXUCPTDWSA-N 0 3 224.308 0.718 20 0 BCADHN CCNC(=O)C1CN(CCC2CCOCC2)C1 ZINC000639250801 355280905 /nfs/dbraw/zinc/28/09/05/355280905.db2.gz BVRXWFNGSATQKX-UHFFFAOYSA-N 0 3 240.347 0.871 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H](C)[C@H]1CO)N(C)C ZINC000413667186 191403628 /nfs/dbraw/zinc/40/36/28/191403628.db2.gz HSROTZVRUJHLMZ-QJPTWQEYSA-N 0 3 242.363 0.946 20 0 BCADHN CO[C@@]1(CN2CC(C(F)F)C2)CCOC1 ZINC000639252307 355287080 /nfs/dbraw/zinc/28/70/80/355287080.db2.gz DVBGBGJKBHVSPK-SNVBAGLBSA-N 0 3 221.247 0.989 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@H]1C=C[C@@H](CO)C1 ZINC000353942975 355363025 /nfs/dbraw/zinc/36/30/25/355363025.db2.gz JWRIVJHGOMXQLJ-MXWKQRLJSA-N 0 3 241.335 0.173 20 0 BCADHN C[C@H](N[C@@H]1CCC(=O)N(C)C1=O)[C@H]1CC1(F)F ZINC000639278500 355363415 /nfs/dbraw/zinc/36/34/15/355363415.db2.gz LEWABXLXNFOMDH-XLPZGREQSA-N 0 3 246.257 0.767 20 0 BCADHN CC[C@H](O)CCCNC(=O)[C@H]1CCCCN1 ZINC000398498828 355367770 /nfs/dbraw/zinc/36/77/70/355367770.db2.gz WPPRWYSZBYSFQK-WDEREUQCSA-N 0 3 228.336 0.796 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@H]1CCCCN1 ZINC000398498820 355367806 /nfs/dbraw/zinc/36/78/06/355367806.db2.gz WPPRWYSZBYSFQK-GHMZBOCLSA-N 0 3 228.336 0.796 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H]1CS[C@H](C)C1 ZINC000639285752 355392137 /nfs/dbraw/zinc/39/21/37/355392137.db2.gz PIOCMBHCYXERDV-ZYUZMQFOSA-N 0 3 217.334 0.884 20 0 BCADHN CNCC(=O)N1Cc2ccccc2N(C)C(=O)C1 ZINC000623236173 355368436 /nfs/dbraw/zinc/36/84/36/355368436.db2.gz RCSBXHVUEWISBQ-UHFFFAOYSA-N 0 3 247.298 0.211 20 0 BCADHN CC[C@@](C)(CN1CC(C)(C(N)=O)C1)OC ZINC000639282418 355378383 /nfs/dbraw/zinc/37/83/83/355378383.db2.gz QCIOFWXSPLEKKG-NSHDSACASA-N 0 3 214.309 0.609 20 0 BCADHN CC(=O)N[C@H]1CCN(CCC[C@H]2CCO2)C1 ZINC000639272637 355344345 /nfs/dbraw/zinc/34/43/45/355344345.db2.gz IICXORWJFYMSPN-RYUDHWBXSA-N 0 3 226.320 0.766 20 0 BCADHN CO[C@H](C)CNCc1cc(C(N)=O)cs1 ZINC000191209944 355348252 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20 0 BCADHN COC[C@H]1C[C@@H](O)CN1Cc1ccc(=O)[nH]c1 ZINC000639293085 355536243 /nfs/dbraw/zinc/53/62/43/355536243.db2.gz DKPMSPRJXDTCQE-GHMZBOCLSA-N 0 3 238.287 0.369 20 0 BCADHN CN(CCCCO)[C@@H]1CCN(C2CC2)C1=O ZINC000349954750 355536365 /nfs/dbraw/zinc/53/63/65/355536365.db2.gz NWQZKDSQUQGRGJ-LLVKDONJSA-N 0 3 226.320 0.454 20 0 BCADHN CCC[C@@H](NC(C)C)C(=O)N(C)CC(=O)NC ZINC000349988174 355546842 /nfs/dbraw/zinc/54/68/42/355546842.db2.gz MUFGHHWHNWGHIX-SNVBAGLBSA-N 0 3 243.351 0.358 20 0 BCADHN CC(C)[C@H](O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000349886993 355519269 /nfs/dbraw/zinc/51/92/69/355519269.db2.gz CEHGZPOQPYYIHA-NEPJUHHUSA-N 0 3 242.363 0.851 20 0 BCADHN CN(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000335851947 355587245 /nfs/dbraw/zinc/58/72/45/355587245.db2.gz CFUOPDHUFBJTSH-UHFFFAOYSA-N 0 3 242.367 0.284 20 0 BCADHN N=C(NO)[C@@H]1CCCCN1Cc1ccon1 ZINC000368525383 181200254 /nfs/dbraw/zinc/20/02/54/181200254.db2.gz CQNAZAJBNVKIKZ-VIFPVBQESA-N 0 3 224.264 0.985 20 0 BCADHN O[C@@H]1CN(CCn2ccnc2)CC12CC2 ZINC000335858777 355603965 /nfs/dbraw/zinc/60/39/65/355603965.db2.gz KHODPCZYXCZNGR-SNVBAGLBSA-N 0 3 207.277 0.340 20 0 BCADHN Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN)cc1C ZINC000415661995 191698141 /nfs/dbraw/zinc/69/81/41/191698141.db2.gz UYOVVQSFTPILBS-JTQLQIEISA-N 0 3 249.314 0.705 20 0 BCADHN CC(C)N(C)CC(=O)N1Cc2cnn(C)c2C1 ZINC000623243459 355609208 /nfs/dbraw/zinc/60/92/08/355609208.db2.gz BNUSZBAAYNRNMO-UHFFFAOYSA-N 0 3 236.319 0.603 20 0 BCADHN CC(C)[C@@H](O)C(=O)NCCN(C)C1CC1 ZINC000350128582 355610528 /nfs/dbraw/zinc/61/05/28/355610528.db2.gz XJJIIJAZBNKCOH-SNVBAGLBSA-N 0 3 214.309 0.214 20 0 BCADHN CO[C@](C)(CO)CNCc1cccc(F)c1N ZINC000639298489 355611473 /nfs/dbraw/zinc/61/14/73/355611473.db2.gz YUKVKHPZUHPBDY-LBPRGKRZSA-N 0 3 242.294 0.895 20 0 BCADHN CC(C)NC(=O)NCCN1CCC[C@@]1(C)CO ZINC000582178684 355612642 /nfs/dbraw/zinc/61/26/42/355612642.db2.gz NOOWJUKZTGQELM-LBPRGKRZSA-N 0 3 243.351 0.541 20 0 BCADHN O=C(COC(F)F)N[C@@H]1CCN(C2CC2)C1 ZINC000350144476 355614429 /nfs/dbraw/zinc/61/44/29/355614429.db2.gz SGNCVDFYFVCZCG-SSDOTTSWSA-N 0 3 234.246 0.579 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000350145837 355614615 /nfs/dbraw/zinc/61/46/15/355614615.db2.gz ISXHSALWZVBWBS-ONGXEEELSA-N 0 3 226.320 0.356 20 0 BCADHN Cn1ncnc1CN[C@H]1CCCN2CCCC[C@@H]12 ZINC000639302336 355646692 /nfs/dbraw/zinc/64/66/92/355646692.db2.gz LVSLVJLWONVPME-RYUDHWBXSA-N 0 3 249.362 0.922 20 0 BCADHN CCC[C@H](CN[C@H]1CCNC1=O)OC ZINC000639302432 355647862 /nfs/dbraw/zinc/64/78/62/355647862.db2.gz FLEPUSIAKJSSIF-BDAKNGLRSA-N 0 3 200.282 0.280 20 0 BCADHN CCN1C[C@@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC000350312614 355668221 /nfs/dbraw/zinc/66/82/21/355668221.db2.gz RYHVSYBRLPREND-ZYHUDNBSSA-N 0 3 239.363 0.442 20 0 BCADHN CCN1C[C@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC000350312611 355668278 /nfs/dbraw/zinc/66/82/78/355668278.db2.gz RYHVSYBRLPREND-CMPLNLGQSA-N 0 3 239.363 0.442 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000389081760 355619334 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/nfs/dbraw/zinc/20/52/51/181205251.db2.gz ZJKADLMHLJVQBD-GFCCVEGCSA-N 0 3 242.319 0.775 20 0 BCADHN CC[C@@H]1CC[C@@H](C(=O)N2CCCNCC2)O1 ZINC000335892962 355686356 /nfs/dbraw/zinc/68/63/56/355686356.db2.gz QTFJGWGGVKWOQR-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CN(C(=O)C[C@@H]1CCOC1)[C@@H]1CCCN(C)C1 ZINC000336017964 134053654 /nfs/dbraw/zinc/05/36/54/134053654.db2.gz MQWHEJQYMXEUIT-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](O)C1(NCc2ccc(=O)[nH]c2)CC1 ZINC000639329571 355746277 /nfs/dbraw/zinc/74/62/77/355746277.db2.gz ZIQKXUPBZDHBEA-MRVPVSSYSA-N 0 3 208.261 0.790 20 0 BCADHN CC[C@@H](C)CN1CCOC[C@@H]1CC(N)=O ZINC000449767096 202027049 /nfs/dbraw/zinc/02/70/49/202027049.db2.gz CZUPFYHIRALUTA-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@@](C)(CN1CCN(C)C[C@@H]1CO)OC ZINC000639334764 355765512 /nfs/dbraw/zinc/76/55/12/355765512.db2.gz VYWSWLPZDVSBRC-NEPJUHHUSA-N 0 3 230.352 0.410 20 0 BCADHN CN1CCN(C[C@@H]2CC=CCC2)[C@@H](CO)C1 ZINC000639336020 355768710 /nfs/dbraw/zinc/76/87/10/355768710.db2.gz CWIDEDDVHZZXRN-CHWSQXEVSA-N 0 3 224.348 0.951 20 0 BCADHN C[C@@H](C[C@H]1CCCC(=O)N1)NCc1cn[nH]n1 ZINC000639340388 355781954 /nfs/dbraw/zinc/78/19/54/355781954.db2.gz DSHKFGUBHNUDMW-DTWKUNHWSA-N 0 3 237.307 0.342 20 0 BCADHN O=C1C[C@H](N2CCc3n[nH]cc3C2)CCCN1 ZINC000639344623 355784535 /nfs/dbraw/zinc/78/45/35/355784535.db2.gz YPGDABGFEQZANP-SNVBAGLBSA-N 0 3 234.303 0.437 20 0 BCADHN C[C@@H]([C@@H]1CCCCO1)N(CCO)CCO ZINC000639343924 355787145 /nfs/dbraw/zinc/78/71/45/355787145.db2.gz PHLGRNTYICIIBU-QWRGUYRKSA-N 0 3 217.309 0.231 20 0 BCADHN CC[C@@](C)(CN(CCO)CCO)OC ZINC000639343855 355787256 /nfs/dbraw/zinc/78/72/56/355787256.db2.gz NJNVSJSHLXLTAG-JTQLQIEISA-N 0 3 205.298 0.088 20 0 BCADHN COc1cc(CN[C@H]2C[C@H](C(N)=O)C2)sn1 ZINC000639346679 355793222 /nfs/dbraw/zinc/79/32/22/355793222.db2.gz ICBQCDHVOWYNSC-LJGSYFOKSA-N 0 3 241.316 0.505 20 0 BCADHN CCN1CCC[C@H]1CNC(=S)NC ZINC000035082184 355798153 /nfs/dbraw/zinc/79/81/53/355798153.db2.gz FJBNQHGOSIWPCL-QMMMGPOBSA-N 0 3 201.339 0.565 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000639352774 355801824 /nfs/dbraw/zinc/80/18/24/355801824.db2.gz SIHMQNDPUIDSGT-ZYUZMQFOSA-N 0 3 235.349 0.575 20 0 BCADHN CO[C@@H](CN[C@@H]1CCS(=O)(=O)[C@@H]1C)C1CC1 ZINC000639352714 355801971 /nfs/dbraw/zinc/80/19/71/355801971.db2.gz QPTKMHFPJIQIQI-IEBDPFPHSA-N 0 3 247.360 0.577 20 0 BCADHN COc1cc(CN[C@@H]2CCOC[C@H]2O)sn1 ZINC000639354114 355803463 /nfs/dbraw/zinc/80/34/63/355803463.db2.gz DGJMQLLYUMXWPQ-RKDXNWHRSA-N 0 3 244.316 0.391 20 0 BCADHN C[C@@]12CN(Cc3ccco3)C[C@@]1(C)C(=O)NC2=O ZINC000639362002 355816964 /nfs/dbraw/zinc/81/69/64/355816964.db2.gz BSMKDHPQDQABLB-STQMWFEESA-N 0 3 248.282 0.764 20 0 BCADHN CN(C)CCNC(=O)c1ccc2nccnc2n1 ZINC000350871390 355845859 /nfs/dbraw/zinc/84/58/59/355845859.db2.gz QMRCANKSBCDIJJ-UHFFFAOYSA-N 0 3 245.286 0.316 20 0 BCADHN NC(=O)C1(NCC[C@@H]2CCCCO2)CC1 ZINC000336743159 181214567 /nfs/dbraw/zinc/21/45/67/181214567.db2.gz XSZJSUSKANLHQH-VIFPVBQESA-N 0 3 212.293 0.553 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2ccon2)CCN1C ZINC000336025836 134057462 /nfs/dbraw/zinc/05/74/62/134057462.db2.gz FQRXFAGFZMFIMK-IUCAKERBSA-N 0 3 223.276 0.887 20 0 BCADHN NC(=O)C1(NC[C@H]2CCSC2)CC1 ZINC000336648304 181214852 /nfs/dbraw/zinc/21/48/52/181214852.db2.gz GBIPNBLWZMXLBU-SSDOTTSWSA-N 0 3 200.307 0.347 20 0 BCADHN CN(CC1(C)COC1)[C@H]1CCCCNC1=O ZINC000608561752 355858910 /nfs/dbraw/zinc/85/89/10/355858910.db2.gz FHASHXVVLWDONH-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H](CN(C)C)Nc1cnn(C)c(=O)c1Cl ZINC000166877348 355860513 /nfs/dbraw/zinc/86/05/13/355860513.db2.gz TXGQCCVJBRZWDK-SSDOTTSWSA-N 0 3 244.726 0.796 20 0 BCADHN CC(C)NCC(=O)N(C)C[C@H]1CCOC1 ZINC000399222555 355865185 /nfs/dbraw/zinc/86/51/85/355865185.db2.gz CMZOWUTXYHRJDB-SNVBAGLBSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@H](CNC(=O)C(=O)c1cccn1C)N(C)C ZINC000350895793 355868553 /nfs/dbraw/zinc/86/85/53/355868553.db2.gz OZHKZPOTURNHED-SECBINFHSA-N 0 3 237.303 0.274 20 0 BCADHN C[C@H](C[C@H]1CCCC(=O)N1)NCc1ncc[nH]1 ZINC000639371925 355872405 /nfs/dbraw/zinc/87/24/05/355872405.db2.gz NHMLJELZTVPZBQ-NXEZZACHSA-N 0 3 236.319 0.947 20 0 BCADHN OCCN(CCO)Cc1cccc2[nH]ccc21 ZINC000628369484 355874957 /nfs/dbraw/zinc/87/49/57/355874957.db2.gz COJCQZOFKDTTAS-UHFFFAOYSA-N 0 3 234.299 0.955 20 0 BCADHN NC(=O)C1CCN(CCOCC(F)F)CC1 ZINC000188667826 181216650 /nfs/dbraw/zinc/21/66/50/181216650.db2.gz ZUADGNWBKMBUCW-UHFFFAOYSA-N 0 3 236.262 0.465 20 0 BCADHN C[C@@H](CO)[C@H](C)NCc1cnc(N(C)C)n1C ZINC000166905801 355936510 /nfs/dbraw/zinc/93/65/10/355936510.db2.gz WYOPRKQOPJZRJT-UWVGGRQHSA-N 0 3 240.351 0.593 20 0 BCADHN CN(C)CCN(C)C(=O)N[C@H]1CCSC1 ZINC000351014920 355937819 /nfs/dbraw/zinc/93/78/19/355937819.db2.gz QGXFABYESBDPLF-VIFPVBQESA-N 0 3 231.365 0.695 20 0 BCADHN OCCN(CCO)Cc1ccc2[nH]ccc2c1 ZINC000628370165 355879622 /nfs/dbraw/zinc/87/96/22/355879622.db2.gz APOGVVKYYYRGMH-UHFFFAOYSA-N 0 3 234.299 0.955 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2ccnn2C)C1 ZINC000608613702 355883164 /nfs/dbraw/zinc/88/31/64/355883164.db2.gz DXVDPAKFRMWFOJ-SNVBAGLBSA-N 0 3 236.319 0.492 20 0 BCADHN C[C@H]1CCN(CCNC(=O)C[C@@H]2CCOC2)C1 ZINC000608613934 355883639 /nfs/dbraw/zinc/88/36/39/355883639.db2.gz YKCLGQKTJKJPIW-RYUDHWBXSA-N 0 3 240.347 0.871 20 0 BCADHN COC(C)(C)CNC(=O)N[C@H]1CCCN(C)C1 ZINC000608648505 355887937 /nfs/dbraw/zinc/88/79/37/355887937.db2.gz VVFVXRJDMFLAKP-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)C1(N)CC1 ZINC000167321949 355991477 /nfs/dbraw/zinc/99/14/77/355991477.db2.gz CBBGEVOFXZLBPX-SNVBAGLBSA-N 0 3 225.336 0.468 20 0 BCADHN COC[C@H](C)CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000167432735 355994101 /nfs/dbraw/zinc/99/41/01/355994101.db2.gz CKRARUOAFPNXEK-HBNTYKKESA-N 0 3 228.336 0.773 20 0 BCADHN C[C@@H]1C[C@H]1CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000351496903 356002277 /nfs/dbraw/zinc/00/22/77/356002277.db2.gz YQFZRZBKBMRZNV-KXUCPTDWSA-N 0 3 232.349 0.266 20 0 BCADHN CCn1nncc1CNC[C@H]1CCCC[C@@H]1O ZINC000417920151 191940430 /nfs/dbraw/zinc/94/04/30/191940430.db2.gz GUTDCDDEHAMKNL-PWSUYJOCSA-N 0 3 238.335 0.939 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCCC[C@H](C)C1 ZINC000248581122 355957318 /nfs/dbraw/zinc/95/73/18/355957318.db2.gz VVHOVRKUSODOBQ-DTWKUNHWSA-N 0 3 227.308 0.692 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCc2nc(C)cn2C1 ZINC000167156995 355961666 /nfs/dbraw/zinc/96/16/66/355961666.db2.gz YKEAHJKRFKJJFY-ZJUUUORDSA-N 0 3 236.319 0.360 20 0 BCADHN C[C@@H](CN[C@@H]1CCCOC1)S(C)(=O)=O ZINC000389326628 355966122 /nfs/dbraw/zinc/96/61/22/355966122.db2.gz TVUNWOZVGVKAFC-DTWKUNHWSA-N 0 3 221.322 0.188 20 0 BCADHN CC(C)(CNC(=O)CO)N1CCCCC1 ZINC000582221558 355969335 /nfs/dbraw/zinc/96/93/35/355969335.db2.gz LJORMCYMNPCWOA-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CC(=O)N(C)C ZINC000351624703 356033896 /nfs/dbraw/zinc/03/38/96/356033896.db2.gz ZPFPUZOLOAFYRP-GMTAPVOTSA-N 0 3 228.336 0.556 20 0 BCADHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)N(C)C ZINC000351624706 356034194 /nfs/dbraw/zinc/03/41/94/356034194.db2.gz ZPFPUZOLOAFYRP-VWYCJHECSA-N 0 3 228.336 0.556 20 0 BCADHN Cc1nccc(CN2CCC[C@H](CC(N)=O)C2)n1 ZINC000351685491 356056952 /nfs/dbraw/zinc/05/69/52/356056952.db2.gz FDYHZSLCHXYDSI-LLVKDONJSA-N 0 3 248.330 0.872 20 0 BCADHN CNS(=O)(=O)NCC(C)(C)N1CCCCC1 ZINC000351685855 356057114 /nfs/dbraw/zinc/05/71/14/356057114.db2.gz GRDDLPFWMVTCQY-UHFFFAOYSA-N 0 3 249.380 0.305 20 0 BCADHN CNS(=O)(=O)NCCCN1CCC(C)CC1 ZINC000351685985 356057293 /nfs/dbraw/zinc/05/72/93/356057293.db2.gz OXZPNQJGZGLXDL-UHFFFAOYSA-N 0 3 249.380 0.162 20 0 BCADHN NC(=O)CCNC[C@H](O)c1c(F)cccc1F ZINC000037891646 181225365 /nfs/dbraw/zinc/22/53/65/181225365.db2.gz JPCGKNAKPHQYRK-VIFPVBQESA-N 0 3 244.241 0.463 20 0 BCADHN CCOC(=O)COCCN1C[C@H](O)C2(CC2)C1 ZINC000351591025 356024285 /nfs/dbraw/zinc/02/42/85/356024285.db2.gz ARIGJOQLGRYYFC-JTQLQIEISA-N 0 3 243.303 0.023 20 0 BCADHN CCN(C(=O)[C@@H](O)C1CC1)[C@@H]1CCN(C)C1 ZINC000617551027 356106685 /nfs/dbraw/zinc/10/66/85/356106685.db2.gz JMZYTZSQNVNJAR-MNOVXSKESA-N 0 3 226.320 0.310 20 0 BCADHN CCN(C(=O)[C@@H](O)C1CC1)[C@H]1CCN(C)C1 ZINC000617551028 356107002 /nfs/dbraw/zinc/10/70/02/356107002.db2.gz JMZYTZSQNVNJAR-QWRGUYRKSA-N 0 3 226.320 0.310 20 0 BCADHN CCN(C(=O)Cc1cncnc1)[C@@H]1CCN(C)C1 ZINC000617551326 356107107 /nfs/dbraw/zinc/10/71/07/356107107.db2.gz PHWSIMLADFECCK-GFCCVEGCSA-N 0 3 248.330 0.572 20 0 BCADHN CCN(C(=O)Cc1cc[nH]n1)[C@H]1CCN(C)C1 ZINC000617554386 356110861 /nfs/dbraw/zinc/11/08/61/356110861.db2.gz AQFVFQQROIPEAT-NSHDSACASA-N 0 3 236.319 0.505 20 0 BCADHN CN(C[C@@H]1CCCC[C@H]1O)[C@]1(CO)CCOC1 ZINC000584353849 356111844 /nfs/dbraw/zinc/11/18/44/356111844.db2.gz RVBRBIWBCDUEQQ-XQQFMLRXSA-N 0 3 243.347 0.621 20 0 BCADHN CSC[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1N ZINC000584353990 356112163 /nfs/dbraw/zinc/11/21/63/356112163.db2.gz XVQBWQFNYMRIDD-HLTSFMKQSA-N 0 3 214.334 0.688 20 0 BCADHN CCN(C(=O)c1ccnn1C)[C@H]1CCN(C)C1 ZINC000617555976 356112708 /nfs/dbraw/zinc/11/27/08/356112708.db2.gz HASUADLEBOZVOU-JTQLQIEISA-N 0 3 236.319 0.586 20 0 BCADHN CCN(C(=O)CCCC(N)=O)[C@@H]1CCN(C)C1 ZINC000617556538 356113459 /nfs/dbraw/zinc/11/34/59/356113459.db2.gz SIDVAWPTPMTPFB-SNVBAGLBSA-N 0 3 241.335 0.195 20 0 BCADHN CCOCC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000617561728 356117514 /nfs/dbraw/zinc/11/75/14/356117514.db2.gz RZTBYUVHKPAMCM-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CCN(C(=O)[C@H](COC)OC)[C@@H]1CCN(C)C1 ZINC000617561734 356117628 /nfs/dbraw/zinc/11/76/28/356117628.db2.gz SDRMUSRPEDAHMY-MNOVXSKESA-N 0 3 244.335 0.200 20 0 BCADHN CCN(C(=O)c1ccc(=O)[nH]c1)[C@H]1CCN(C)C1 ZINC000617561366 356117788 /nfs/dbraw/zinc/11/77/88/356117788.db2.gz JTYNFLRLFWCSLD-NSHDSACASA-N 0 3 249.314 0.953 20 0 BCADHN C[C@H](F)CCN1C[C@@H]2[C@H](C1)OCCN2C ZINC000351882160 356120531 /nfs/dbraw/zinc/12/05/31/356120531.db2.gz PFBKXLYJQWSDKZ-AXFHLTTASA-N 0 3 216.300 0.749 20 0 BCADHN CCn1nncc1CN(C)[C@@H]1CN2CCC1CC2 ZINC000639393108 356065470 /nfs/dbraw/zinc/06/54/70/356065470.db2.gz RWVABGASODTHSV-CYBMUJFWSA-N 0 3 249.362 0.824 20 0 BCADHN COCC1(C(=O)NC[C@H](C)N(C)C)CC1 ZINC000351720576 356070147 /nfs/dbraw/zinc/07/01/47/356070147.db2.gz NRAQSEMLCQOSSV-VIFPVBQESA-N 0 3 214.309 0.479 20 0 BCADHN CC[C@H]1CN(Cc2ccnc(C)n2)C[C@@H]1O ZINC000351796760 356081213 /nfs/dbraw/zinc/08/12/13/356081213.db2.gz YGWCWWOINMJHKD-JQWIXIFHSA-N 0 3 221.304 0.988 20 0 BCADHN CC[C@@H]1CN(Cc2ccnc(C)n2)C[C@@H]1O ZINC000351796761 356081338 /nfs/dbraw/zinc/08/13/38/356081338.db2.gz YGWCWWOINMJHKD-PWSUYJOCSA-N 0 3 221.304 0.988 20 0 BCADHN C[C@H](C(=O)N1CCN[C@@H](C)[C@@H]1C)n1cncn1 ZINC000379463896 358500539 /nfs/dbraw/zinc/50/05/39/358500539.db2.gz FXJFOFLRLCTFQH-LPEHRKFASA-N 0 3 237.307 0.048 20 0 BCADHN OC[C@H]1CSCCN1CCC[C@H]1CCO1 ZINC000639396427 356099577 /nfs/dbraw/zinc/09/95/77/356099577.db2.gz GWYHVXJTJSNIHI-QWRGUYRKSA-N 0 3 231.361 0.965 20 0 BCADHN CO[C@H](C)[C@@H](C)NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418232729 192002132 /nfs/dbraw/zinc/00/21/32/192002132.db2.gz HOWVCTXHXZSGRL-UKKRHICBSA-N 0 3 243.351 0.802 20 0 BCADHN O=C(N1CCOCC1)C12CCCN1CCC2 ZINC000335915938 356155430 /nfs/dbraw/zinc/15/54/30/356155430.db2.gz VVFAONVHLUCYFS-UHFFFAOYSA-N 0 3 224.304 0.474 20 0 BCADHN C[C@@H]1CCN(CCS(=O)(=O)N(C)C)C1 ZINC000335915569 356155530 /nfs/dbraw/zinc/15/55/30/356155530.db2.gz POHYQRNKQXMKNJ-SECBINFHSA-N 0 3 220.338 0.220 20 0 BCADHN C[C@@H](CNC(=O)N1C[C@H](C)NC[C@H]1C)N(C)C ZINC000418248980 192006841 /nfs/dbraw/zinc/00/68/41/192006841.db2.gz FWDXHKAQXBUNSA-GARJFASQSA-N 0 3 242.367 0.328 20 0 BCADHN NC(=O)NC(=O)CN(CC1CC1)CC1CC1 ZINC000115563274 181254614 /nfs/dbraw/zinc/25/46/14/181254614.db2.gz HGINSXBZSJXVJZ-UHFFFAOYSA-N 0 3 225.292 0.303 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000167504166 356176307 /nfs/dbraw/zinc/17/63/07/356176307.db2.gz DPGPIQOGWBUQRP-VWYCJHECSA-N 0 3 228.336 0.652 20 0 BCADHN NC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000101761387 181256819 /nfs/dbraw/zinc/25/68/19/181256819.db2.gz CUBQQVFVVUNHBL-UHFFFAOYSA-N 0 3 248.330 0.757 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@@H]1CCOC1 ZINC000351887167 356146938 /nfs/dbraw/zinc/14/69/38/356146938.db2.gz KXFPANNRAJEARZ-ZJUUUORDSA-N 0 3 229.324 0.272 20 0 BCADHN NC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000340566844 181259264 /nfs/dbraw/zinc/25/92/64/181259264.db2.gz RKJAEELDSXWRAV-NEPJUHHUSA-N 0 3 249.314 0.290 20 0 BCADHN CC[C@H](C)CCNC(=O)C(C)S(C)(=O)=O ZINC000617634352 356218378 /nfs/dbraw/zinc/21/83/78/356218378.db2.gz VLPULPIMCUQOCT-IUCAKERBSA-N 0 3 235.349 0.972 20 0 BCADHN CCN1CCN(C[C@H]2CCc3ncnn32)CC1 ZINC000639443699 356221261 /nfs/dbraw/zinc/22/12/61/356221261.db2.gz RTZKRHPLIPHPRH-LLVKDONJSA-N 0 3 235.335 0.403 20 0 BCADHN CCN1CCN(Cc2cc[nH]c(=O)c2)CC1 ZINC000639443709 356221296 /nfs/dbraw/zinc/22/12/96/356221296.db2.gz SDNZCFIMQUDYQR-UHFFFAOYSA-N 0 3 221.304 0.925 20 0 BCADHN CCN1CCN(C[C@@H]2CCc3ncnn32)CC1 ZINC000639443700 356221528 /nfs/dbraw/zinc/22/15/28/356221528.db2.gz RTZKRHPLIPHPRH-NSHDSACASA-N 0 3 235.335 0.403 20 0 BCADHN CCC[C@H]1CNCCN1c1cncc2nncn21 ZINC000420233443 192181910 /nfs/dbraw/zinc/18/19/10/192181910.db2.gz MPSBAJPNSHAKQE-JTQLQIEISA-N 0 3 246.318 0.703 20 0 BCADHN CN1CCCN(C[C@H]2CCc3ncnn32)CC1 ZINC000639445257 356226160 /nfs/dbraw/zinc/22/61/60/356226160.db2.gz QWATXFNLUGRFMZ-LLVKDONJSA-N 0 3 235.335 0.403 20 0 BCADHN c1nc2n(n1)[C@@H](CN1CCSCC1)CC2 ZINC000639452904 356232821 /nfs/dbraw/zinc/23/28/21/356232821.db2.gz HHIFENBFFIECGX-SECBINFHSA-N 0 3 224.333 0.814 20 0 BCADHN CCN(C[C@H](C)O)C(=O)NC[C@H]1CCCN1C ZINC000351908726 356182621 /nfs/dbraw/zinc/18/26/21/356182621.db2.gz LBMRELLHSKDGQR-WDEREUQCSA-N 0 3 243.351 0.493 20 0 BCADHN NC(=O)N[C@@H]1CCN(C[C@@H]2CCC=CO2)C1 ZINC000278911059 181260239 /nfs/dbraw/zinc/26/02/39/181260239.db2.gz SMKKHLASGOWFDD-ZJUUUORDSA-N 0 3 225.292 0.422 20 0 BCADHN NC(=O)N[C@@H]1CCN(CCc2ccccc2)C1 ZINC000270634183 181260611 /nfs/dbraw/zinc/26/06/11/181260611.db2.gz LZKNZTLFMFPOAB-GFCCVEGCSA-N 0 3 233.315 0.972 20 0 BCADHN CC(C)CN(CC(N)=O)Cc1cc[nH]c(=O)c1 ZINC000639449872 356233910 /nfs/dbraw/zinc/23/39/10/356233910.db2.gz RCVDIFIYBNYQEO-UHFFFAOYSA-N 0 3 237.303 0.731 20 0 BCADHN C[C@@H](CF)NC(=O)NC[C@@H]1CCCN1C ZINC000351911606 356196240 /nfs/dbraw/zinc/19/62/40/356196240.db2.gz YWSHTZDRKRVPKM-IUCAKERBSA-N 0 3 217.288 0.738 20 0 BCADHN CNC(=O)CN(C)C[C@@H]1CCO[C@@H]1C ZINC000639450501 356234531 /nfs/dbraw/zinc/23/45/31/356234531.db2.gz PTXICIDXNIFTKI-BDAKNGLRSA-N 0 3 200.282 0.089 20 0 BCADHN CC(=O)NCCCN1CC[C@H](C)[C@H](O)C1 ZINC000305770291 192018167 /nfs/dbraw/zinc/01/81/67/192018167.db2.gz XBLBUJFGBPORKR-GXSJLCMTSA-N 0 3 214.309 0.215 20 0 BCADHN NC(=O)N[C@H]1CCN(CC2=CCCOC2)C1 ZINC000355204014 181261671 /nfs/dbraw/zinc/26/16/71/181261671.db2.gz VVWPKDWJCQNYKX-JTQLQIEISA-N 0 3 225.292 0.076 20 0 BCADHN CC(C)[C@@H](C(=O)N1C[C@H](O)C2(CC2)C1)N(C)C ZINC000336110614 134086481 /nfs/dbraw/zinc/08/64/81/134086481.db2.gz NPBJBBQCZOBLRT-QWRGUYRKSA-N 0 3 240.347 0.556 20 0 BCADHN COc1nc(C)cc(N2CCNC[C@@H]2C)n1 ZINC000420219771 192193563 /nfs/dbraw/zinc/19/35/63/192193563.db2.gz SIUCVZAULWMEGW-VIFPVBQESA-N 0 3 222.292 0.592 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCc3ncnn32)CCCO1 ZINC000639472696 356262369 /nfs/dbraw/zinc/26/23/69/356262369.db2.gz RSHJUZCHGZDCKF-GHMZBOCLSA-N 0 3 236.319 0.876 20 0 BCADHN CCN(CCCN1CCCC1)S(=O)(=O)NC ZINC000352158292 134087102 /nfs/dbraw/zinc/08/71/02/134087102.db2.gz HESLNDOXVMXRMC-UHFFFAOYSA-N 0 3 249.380 0.258 20 0 BCADHN C[C@H](O)CN1CCN(C[C@H]2CCO[C@H]2C)CC1 ZINC000639474863 356270056 /nfs/dbraw/zinc/27/00/56/356270056.db2.gz WFFGPHMUGGAKAG-RWMBFGLXSA-N 0 3 242.363 0.410 20 0 BCADHN CC1CCN(CC(=O)NC/C=C/CO)CC1 ZINC000617687246 356276577 /nfs/dbraw/zinc/27/65/77/356276577.db2.gz ZNQKZTZWNCAAKG-NSCUHMNNSA-N 0 3 226.320 0.383 20 0 BCADHN OC[C@H]1CCCCN1C[C@H]1CCc2ncnn21 ZINC000639453086 356236971 /nfs/dbraw/zinc/23/69/71/356236971.db2.gz YWGGXJLZUKWHGB-GHMZBOCLSA-N 0 3 236.319 0.612 20 0 BCADHN C[C@H](O)CCN(C)C[C@@H]1CCc2ncnn21 ZINC000639498190 356326260 /nfs/dbraw/zinc/32/62/60/356326260.db2.gz PYGLSCIRAQPDBY-UWVGGRQHSA-N 0 3 224.308 0.468 20 0 BCADHN C[C@@H](O)CCN(C)C[C@H]1CCc2ncnn21 ZINC000639498189 356326345 /nfs/dbraw/zinc/32/63/45/356326345.db2.gz PYGLSCIRAQPDBY-NXEZZACHSA-N 0 3 224.308 0.468 20 0 BCADHN CN1CCC(CC(=O)NC/C=C\CO)CC1 ZINC000617685910 356284840 /nfs/dbraw/zinc/28/48/40/356284840.db2.gz ZNIUFOGZZKKKPM-IHWYPQMZSA-N 0 3 226.320 0.383 20 0 BCADHN CCNC(=O)CN1CCSCC[C@@H]1C ZINC000336123254 134092061 /nfs/dbraw/zinc/09/20/61/134092061.db2.gz UVGFCQQGCBYRQU-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN CN(c1ncc(C(F)F)cn1)C1CNC1 ZINC000420270387 192195914 /nfs/dbraw/zinc/19/59/14/192195914.db2.gz YRMJRQFTTYRDHV-UHFFFAOYSA-N 0 3 214.219 0.822 20 0 BCADHN COC(=O)C[C@H]1CSCCN1C[C@H](C)CO ZINC000121231925 356311700 /nfs/dbraw/zinc/31/17/00/356311700.db2.gz MEOLTSHJOMUOTL-UWVGGRQHSA-N 0 3 247.360 0.595 20 0 BCADHN O=C1[C@@H](N2CC[C@@H](CO)C2)CCN1C1CCC1 ZINC000639495033 356320597 /nfs/dbraw/zinc/32/05/97/356320597.db2.gz MRQNFVSDGFPCNU-PWSUYJOCSA-N 0 3 238.331 0.454 20 0 BCADHN CCOC(=O)CCN1CCNC[C@@](C)(F)C1 ZINC000420331279 192214039 /nfs/dbraw/zinc/21/40/39/192214039.db2.gz MCEOUXIHUCHJFV-LLVKDONJSA-N 0 3 232.299 0.573 20 0 BCADHN CCCC[C@@H](C)N(C)CC(=O)NCC(=O)OC ZINC000352398807 356337890 /nfs/dbraw/zinc/33/78/90/356337890.db2.gz PWANENMICHOHDE-SNVBAGLBSA-N 0 3 244.335 0.786 20 0 BCADHN NC(=O)C[C@H]1CCCN(CCc2cnccn2)C1 ZINC000639508934 356338335 /nfs/dbraw/zinc/33/83/35/356338335.db2.gz UTMDOAVMBWOHHU-LLVKDONJSA-N 0 3 248.330 0.607 20 0 BCADHN COCCCN1CCNC[C@@](C)(F)C1 ZINC000420345463 192216600 /nfs/dbraw/zinc/21/66/00/192216600.db2.gz ZMVMJDXSQKBNJM-SNVBAGLBSA-N 0 3 204.289 0.656 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N(CCO)CC1CC1 ZINC000352481147 356367914 /nfs/dbraw/zinc/36/79/14/356367914.db2.gz DDKSQMLJPSLGSO-NSHDSACASA-N 0 3 242.363 0.851 20 0 BCADHN CCCNC(=O)CN1C[C@H]2CCC[C@@H](C1)N2 ZINC000420347233 192217342 /nfs/dbraw/zinc/21/73/42/192217342.db2.gz FXQDJPUVEHKCIJ-PHIMTYICSA-N 0 3 225.336 0.339 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCN(C)C(=O)C1(C)C ZINC000639514077 356351878 /nfs/dbraw/zinc/35/18/78/356351878.db2.gz NRQWBQKLZNHEBC-QWRGUYRKSA-N 0 3 240.347 0.964 20 0 BCADHN CN(CCc1cnccn1)C[C@@H](O)C1CC1 ZINC000639514528 356354720 /nfs/dbraw/zinc/35/47/20/356354720.db2.gz LDNOAVXIMYOBKN-GFCCVEGCSA-N 0 3 221.304 0.722 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN(CC(N)=O)C(C)(C)C ZINC000639519078 356363478 /nfs/dbraw/zinc/36/34/78/356363478.db2.gz GHNZLXJBPBSMHF-VHSXEESVSA-N 0 3 228.336 0.997 20 0 BCADHN O=C1CNCCN1[C@H]1CCCN(CCCF)C1 ZINC000420311660 192211524 /nfs/dbraw/zinc/21/15/24/192211524.db2.gz RBTNFOJBCYZWGM-NSHDSACASA-N 0 3 243.326 0.242 20 0 BCADHN CCN1CCN(C[C@@H](O)CSC)[C@H](C)C1 ZINC000352664212 356399930 /nfs/dbraw/zinc/39/99/30/356399930.db2.gz BOHCMGYKWAZXNP-GHMZBOCLSA-N 0 3 232.393 0.736 20 0 BCADHN NC(=O)[C@@H]1CCN(Cc2c[nH]c3nccnc23)C1 ZINC000284064683 181271430 /nfs/dbraw/zinc/27/14/30/181271430.db2.gz MVVHYGLGWCDXOM-MRVPVSSYSA-N 0 3 245.286 0.265 20 0 BCADHN CCN(CC)CC(=O)NC1CN(C(C)C)C1 ZINC000352197536 134099137 /nfs/dbraw/zinc/09/91/37/134099137.db2.gz UBSJXKBXEQCEAY-UHFFFAOYSA-N 0 3 227.352 0.537 20 0 BCADHN C[C@@]1(F)CNCCN(CCOCC(F)F)C1 ZINC000420327657 192230337 /nfs/dbraw/zinc/23/03/37/192230337.db2.gz GTHCEEJKJQHBDY-SNVBAGLBSA-N 0 3 240.269 0.902 20 0 BCADHN CCc1nc(C(=O)NCCN(C)CC)no1 ZINC000331086989 356387539 /nfs/dbraw/zinc/38/75/39/356387539.db2.gz PZLMTFKPLIMNLP-UHFFFAOYSA-N 0 3 226.280 0.314 20 0 BCADHN CCN1CCN(CCc2ccnn2C)[C@H](C)C1 ZINC000352668538 356400528 /nfs/dbraw/zinc/40/05/28/356400528.db2.gz SOYFZNOFPLPCIK-GFCCVEGCSA-N 0 3 236.363 0.989 20 0 BCADHN CC1(C)CCN(CCN2C(=O)CNC2=O)CC1 ZINC000336555239 356390375 /nfs/dbraw/zinc/39/03/75/356390375.db2.gz LJLOFVFAVFGUPE-UHFFFAOYSA-N 0 3 239.319 0.660 20 0 BCADHN CN(CC(=O)NC(=O)NC1CC1)CC1CC1 ZINC000049238174 356390958 /nfs/dbraw/zinc/39/09/58/356390958.db2.gz CPSLDVWZIBXARM-UHFFFAOYSA-N 0 3 225.292 0.316 20 0 BCADHN CCc1nnc(CN2CCN(CC)C[C@H]2C)[nH]1 ZINC000352664483 356400886 /nfs/dbraw/zinc/40/08/86/356400886.db2.gz BWUXMJKOMLGNBH-SNVBAGLBSA-N 0 3 237.351 0.893 20 0 BCADHN CCc1nc(CN2CCN(CC)C[C@H]2C)n[nH]1 ZINC000352664483 356400888 /nfs/dbraw/zinc/40/08/88/356400888.db2.gz BWUXMJKOMLGNBH-SNVBAGLBSA-N 0 3 237.351 0.893 20 0 BCADHN CCN1CCN(CCCCO)[C@@H](C)C1 ZINC000352658974 356397901 /nfs/dbraw/zinc/39/79/01/356397901.db2.gz HJYKJPKIAMRFEW-NSHDSACASA-N 0 3 200.326 0.785 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N(C)[C@H]1CCC[C@H]1O ZINC000352660420 356398746 /nfs/dbraw/zinc/39/87/46/356398746.db2.gz RTCUYJVCEWLDJS-SDDRHHMPSA-N 0 3 242.363 0.992 20 0 BCADHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCCF ZINC000368964491 181274442 /nfs/dbraw/zinc/27/44/42/181274442.db2.gz PDDQAWVSHVHLND-BBBLOLIVSA-N 0 3 214.284 0.932 20 0 BCADHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCn1cccn1 ZINC000364957828 181274656 /nfs/dbraw/zinc/27/46/56/181274656.db2.gz WDRWCPLLLIABBH-UTUOFQBUSA-N 0 3 248.330 0.469 20 0 BCADHN CNCCNS(=O)(=O)c1ccsc1 ZINC000420428363 192241722 /nfs/dbraw/zinc/24/17/22/192241722.db2.gz YKCLTIPEDYBUFI-UHFFFAOYSA-N 0 3 220.319 0.246 20 0 BCADHN CCN(C)C(=O)CCN1CCN(CC)C[C@H]1C ZINC000352688683 356403351 /nfs/dbraw/zinc/40/33/51/356403351.db2.gz CJIQMLMPLVFIIR-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN OCC1(CCNC[C@@H](O)C(F)(F)F)CC1 ZINC000395807520 356404552 /nfs/dbraw/zinc/40/45/52/356404552.db2.gz VHIQTHBPIMOHHF-SSDOTTSWSA-N 0 3 227.226 0.662 20 0 BCADHN CCN1CCN(CCn2cncn2)[C@H](C)C1 ZINC000352698111 356404984 /nfs/dbraw/zinc/40/49/84/356404984.db2.gz LVZROGNMYZPUFZ-LLVKDONJSA-N 0 3 223.324 0.304 20 0 BCADHN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCO ZINC000360127875 181274343 /nfs/dbraw/zinc/27/43/43/181274343.db2.gz CBIAJIVDCDABOF-BBBLOLIVSA-N 0 3 212.293 0.097 20 0 BCADHN C[C@H]1COCCCN1C[C@H]1CCc2ncnn21 ZINC000639544425 356408614 /nfs/dbraw/zinc/40/86/14/356408614.db2.gz XSBUXWYAGLSVBO-WDEREUQCSA-N 0 3 236.319 0.876 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@@H](C)C1 ZINC000336156691 134106033 /nfs/dbraw/zinc/10/60/33/134106033.db2.gz YQXKCZRPAVPHHV-ZJUUUORDSA-N 0 3 213.325 0.988 20 0 BCADHN CC(=O)CN1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000639552663 356453086 /nfs/dbraw/zinc/45/30/86/356453086.db2.gz FQTMOVLCUSKIDA-GHMZBOCLSA-N 0 3 224.304 0.566 20 0 BCADHN Cc1csc(S(=O)(=O)[N-][C@@H](C)C[NH3+])c1 ZINC000420425756 192243660 /nfs/dbraw/zinc/24/36/60/192243660.db2.gz PMKYIARCJRODBJ-ZETCQYMHSA-N 0 3 234.346 0.682 20 0 BCADHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCCF ZINC000368964492 181275879 /nfs/dbraw/zinc/27/58/79/181275879.db2.gz PDDQAWVSHVHLND-GUBZILKMSA-N 0 3 214.284 0.932 20 0 BCADHN CN(C1CNC1)S(=O)(=O)CCC1CCCC1 ZINC000420423052 192244146 /nfs/dbraw/zinc/24/41/46/192244146.db2.gz NPDYEDRRBSBDQL-UHFFFAOYSA-N 0 3 246.376 0.800 20 0 BCADHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000420461897 192244164 /nfs/dbraw/zinc/24/41/64/192244164.db2.gz HEPWBFRBFUFNBV-MRVPVSSYSA-N 0 3 232.305 0.604 20 0 BCADHN CN1CCN(C[C@@H]2CCc3ncnn32)C(C)(C)C1 ZINC000639555179 356460120 /nfs/dbraw/zinc/46/01/20/356460120.db2.gz PBVFQIOTYDUZJU-NSHDSACASA-N 0 3 249.362 0.791 20 0 BCADHN O=c1cc(CN2CCSC[C@@H]2CO)cc[nH]1 ZINC000639557095 356461565 /nfs/dbraw/zinc/46/15/65/356461565.db2.gz WMRHSXFWCIQOKE-JTQLQIEISA-N 0 3 240.328 0.697 20 0 BCADHN COC[C@H]1CCN(CC(=O)N2CCC2)C1 ZINC000352214716 134108130 /nfs/dbraw/zinc/10/81/30/134108130.db2.gz TVFNLBZBXJJPHP-JTQLQIEISA-N 0 3 212.293 0.187 20 0 BCADHN CCN(Cc1ccc(C(N)=O)cc1)C[C@@H](C)O ZINC000352218983 134108824 /nfs/dbraw/zinc/10/88/24/134108824.db2.gz ASZRFUOHTLNILU-SNVBAGLBSA-N 0 3 236.315 0.988 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCO[C@@H](C)C1 ZINC000019434189 356482901 /nfs/dbraw/zinc/48/29/01/356482901.db2.gz SBUIXQYRCDFUMP-IUCAKERBSA-N 0 3 200.282 0.217 20 0 BCADHN CC(C)CN1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000019687684 356484242 /nfs/dbraw/zinc/48/42/42/356484242.db2.gz SWHWQFQTZOYMIM-LBPRGKRZSA-N 0 3 241.379 0.770 20 0 BCADHN CCN(CC)C(=O)CNC[C@@H]1CCCO1 ZINC000020055538 356486538 /nfs/dbraw/zinc/48/65/38/356486538.db2.gz QAFJDJVPSDTEOH-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN Cc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2)c(F)c1 ZINC000020434635 356488796 /nfs/dbraw/zinc/48/87/96/356488796.db2.gz XOWUBJHRSPNLMD-KCJUWKMLSA-N 0 3 238.262 0.795 20 0 BCADHN CSC[C@@H](O)CN(C)[C@H]1CCCOC1 ZINC000352224152 134109857 /nfs/dbraw/zinc/10/98/57/134109857.db2.gz ZGEIFXFSZJNJMG-UWVGGRQHSA-N 0 3 219.350 0.821 20 0 BCADHN NC(=O)[C@H](NC[C@@H]1CCOC1)c1ccccc1 ZINC000298381520 181277902 /nfs/dbraw/zinc/27/79/02/181277902.db2.gz DDJJXDLJWQJYKF-CMPLNLGQSA-N 0 3 234.299 0.839 20 0 BCADHN NC(=O)[C@H](NC[C@H]1CCOC1)c1ccccc1 ZINC000298381533 181278077 /nfs/dbraw/zinc/27/80/77/181278077.db2.gz DDJJXDLJWQJYKF-ZYHUDNBSSA-N 0 3 234.299 0.839 20 0 BCADHN NC(=O)[C@]1(O)CCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000291173565 181284949 /nfs/dbraw/zinc/28/49/49/181284949.db2.gz NNAWMAGCRLPJBX-BZPMIXESSA-N 0 3 246.310 0.465 20 0 BCADHN Cn1ccc(CNC[C@H](CO)[C@@H]2CCOC2)n1 ZINC000583668855 356492164 /nfs/dbraw/zinc/49/21/64/356492164.db2.gz RKVVTDPKKXOQCW-GHMZBOCLSA-N 0 3 239.319 0.155 20 0 BCADHN COC[C@@H]1CCN([C@@H](C)C(=O)NC2CC2)C1 ZINC000352233418 134114055 /nfs/dbraw/zinc/11/40/55/134114055.db2.gz BWLRBLKFJDSHCU-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN CCN1CCN([C@H](C)CNc2cnccn2)CC1 ZINC000301124750 356501864 /nfs/dbraw/zinc/50/18/64/356501864.db2.gz VGZSWVMWUPDILZ-GFCCVEGCSA-N 0 3 249.362 0.915 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCC(=O)Nc1ccccn1 ZINC000639581678 356502149 /nfs/dbraw/zinc/50/21/49/356502149.db2.gz XJJZWHUEZJIHTF-VHSXEESVSA-N 0 3 237.303 0.627 20 0 BCADHN C[C@@H](NCC(=O)Nc1ccccn1)[C@H](C)CO ZINC000639581676 356502412 /nfs/dbraw/zinc/50/24/12/356502412.db2.gz XJJZWHUEZJIHTF-NXEZZACHSA-N 0 3 237.303 0.627 20 0 BCADHN CCCCNC(=O)CN1CC[C@H](COC)C1 ZINC000352234307 134115126 /nfs/dbraw/zinc/11/51/26/134115126.db2.gz JPVFHTQQQHADBC-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN CN(Cc1cc[nH]c(=O)c1)C1CC(O)C1 ZINC000639582446 356502980 /nfs/dbraw/zinc/50/29/80/356502980.db2.gz BSIKAALLAIMXCW-UHFFFAOYSA-N 0 3 208.261 0.742 20 0 BCADHN C[C@H](NC[C@@H]1CCc2ncnn21)c1cn[nH]c1 ZINC000639583769 356506452 /nfs/dbraw/zinc/50/64/52/356506452.db2.gz QHVMCIKGBQZCMP-WPRPVWTQSA-N 0 3 232.291 0.839 20 0 BCADHN CN(CCN(C)C1CC1)C[C@@H]1CCc2ncnn21 ZINC000639588374 356511416 /nfs/dbraw/zinc/51/14/16/356511416.db2.gz CAZHIBFQJUELPN-LBPRGKRZSA-N 0 3 249.362 0.791 20 0 BCADHN CCN1CCCN(C[C@@H]2CCO[C@@H]2C)CC1=O ZINC000639605055 356526213 /nfs/dbraw/zinc/52/62/13/356526213.db2.gz BAQPFHPGHFTXOG-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)[C@@H]1CCCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC000336183061 134120125 /nfs/dbraw/zinc/12/01/25/134120125.db2.gz YIMJLRJYINICDM-VHSXEESVSA-N 0 3 241.335 0.938 20 0 BCADHN C[C@H](CO)N(CCc1cnccn1)C[C@H](C)O ZINC000639606042 356527539 /nfs/dbraw/zinc/52/75/39/356527539.db2.gz NWYZHXROHOHWSY-MNOVXSKESA-N 0 3 239.319 0.083 20 0 BCADHN CC(=O)CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000639610025 356527870 /nfs/dbraw/zinc/52/78/70/356527870.db2.gz VGACQCVIOVHVME-STQMWFEESA-N 0 3 240.347 0.808 20 0 BCADHN CC(=O)CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000639610024 356528196 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NC(=O)CCN[C@@H](CCCO)c1ccccc1 ZINC000582542503 357341628 /nfs/dbraw/zinc/34/16/28/357341628.db2.gz YHDSBYKAEYIYNS-LBPRGKRZSA-N 0 3 236.315 0.965 20 0 BCADHN CNC(=O)[C@H](C)N[C@@H]1[C@@H](C)[C@@H](OC)C12CCC2 ZINC000582599250 357347143 /nfs/dbraw/zinc/34/71/43/357347143.db2.gz YWQCIZXCROSMPX-LMLFDSFASA-N 0 3 240.347 0.914 20 0 BCADHN Cc1ncc(CN[C@@H](C)C[S@](C)=O)n1C ZINC000582675809 357361230 /nfs/dbraw/zinc/36/12/30/357361230.db2.gz ACZYXYINNXXVKJ-AYVTZFPOSA-N 0 3 229.349 0.585 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)C1CC(O)C1 ZINC000582963502 357440608 /nfs/dbraw/zinc/44/06/08/357440608.db2.gz TVEKWISKOVQXPJ-CUUXFQNZSA-N 0 3 212.293 0.109 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCc1cccnc1 ZINC000394884341 357387212 /nfs/dbraw/zinc/38/72/12/357387212.db2.gz OHOLCZNXWDLTRS-VIFPVBQESA-N 0 3 219.288 0.838 20 0 BCADHN C[C@H](O)CN[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000582780628 357390521 /nfs/dbraw/zinc/39/05/21/357390521.db2.gz YUYCNRLSXDXWNN-WCQYABFASA-N 0 3 248.326 0.758 20 0 BCADHN COC(=O)CCCN1CCNC[C@H]1C(F)F ZINC000582785357 357393282 /nfs/dbraw/zinc/39/32/82/357393282.db2.gz CNGUEYKEDJKWRC-QMMMGPOBSA-N 0 3 236.262 0.479 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)Cc1nccn1C ZINC000394947898 357400520 /nfs/dbraw/zinc/40/05/20/357400520.db2.gz IQXBJJLSFMDLHG-SECBINFHSA-N 0 3 236.319 0.519 20 0 BCADHN Cc1c(CNC(=O)[C@@H](C)NC2CC2)cnn1C ZINC000394949323 357400672 /nfs/dbraw/zinc/40/06/72/357400672.db2.gz JLXVCVOUZIUXNP-MRVPVSSYSA-N 0 3 236.319 0.485 20 0 BCADHN CC[C@@H](CCO)CNC(=O)[C@H](C)NC1CC1 ZINC000395071500 357410834 /nfs/dbraw/zinc/41/08/34/357410834.db2.gz MOGTYJKVIRIQIZ-UWVGGRQHSA-N 0 3 228.336 0.652 20 0 BCADHN [NH3+][C@@H](C(=O)NCc1ncccc1[O-])C1CCC1 ZINC000582962016 357439065 /nfs/dbraw/zinc/43/90/65/357439065.db2.gz ANWVEKFVHSAEIR-LLVKDONJSA-N 0 3 235.287 0.531 20 0 BCADHN CC(C)NCC(=O)Nc1c2c(nn1C)CCC2 ZINC000583154838 357497414 /nfs/dbraw/zinc/49/74/14/357497414.db2.gz KGJOVZHLAQAPNI-UHFFFAOYSA-N 0 3 236.319 0.845 20 0 BCADHN CCOC[C@@H](O)CN[C@@H]1CCCc2c[nH]nc21 ZINC000583139089 357499475 /nfs/dbraw/zinc/49/94/75/357499475.db2.gz VLOWIHBZUHAXBV-WDEREUQCSA-N 0 3 239.319 0.774 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CC[C@H](c2cccnc2)C1 ZINC000583022073 357451510 /nfs/dbraw/zinc/45/15/10/357451510.db2.gz SFLCCUPJRGQNSY-RWMBFGLXSA-N 0 3 234.299 0.631 20 0 BCADHN O[C@@H]1COC[C@H]1N1CC[C@@H](c2cccnc2)C1 ZINC000583022072 357451768 /nfs/dbraw/zinc/45/17/68/357451768.db2.gz SFLCCUPJRGQNSY-JHJVBQTASA-N 0 3 234.299 0.631 20 0 BCADHN CC1(C)C[C@@H](NCC(=O)NCC(F)F)CO1 ZINC000396902116 357486823 /nfs/dbraw/zinc/48/68/23/357486823.db2.gz XEUZXTMELVLKJK-SSDOTTSWSA-N 0 3 236.262 0.525 20 0 BCADHN Cc1nc2ccc(NC(=O)[C@H](N)C(C)C)cn2n1 ZINC000583141534 357493094 /nfs/dbraw/zinc/49/30/94/357493094.db2.gz FUSQFTGAOICSKX-LLVKDONJSA-N 0 3 247.302 0.960 20 0 BCADHN OCCN(CCO)C[C@H](O)CC1CCCC1 ZINC000188638343 357569281 /nfs/dbraw/zinc/56/92/81/357569281.db2.gz YXSXWOJWZKKTHA-GFCCVEGCSA-N 0 3 231.336 0.214 20 0 BCADHN O=C([C@H]1CCOC1)N1CCN2CCC1CC2 ZINC000188665247 357571476 /nfs/dbraw/zinc/57/14/76/357571476.db2.gz VECKMBWNNZZIDM-JTQLQIEISA-N 0 3 224.304 0.330 20 0 BCADHN COC[C@H](NC(=O)C1(N)CCC1)C1CC1 ZINC000397375422 357513877 /nfs/dbraw/zinc/51/38/77/357513877.db2.gz CWDPHLRHLHZMAZ-VIFPVBQESA-N 0 3 212.293 0.409 20 0 BCADHN CNc1cnc(C(=O)NC[C@@H](C)N(C)C)cn1 ZINC000230100477 357520224 /nfs/dbraw/zinc/52/02/24/357520224.db2.gz HAQNESMIXCSEJJ-MRVPVSSYSA-N 0 3 237.307 0.198 20 0 BCADHN C[C@@H](CC(=O)N(C)CCN(C)C)n1ccnc1 ZINC000583207967 357520270 /nfs/dbraw/zinc/52/02/70/357520270.db2.gz RUCWWPAPFQOCRH-NSHDSACASA-N 0 3 238.335 0.854 20 0 BCADHN COC(C)(C)CCN1C[C@H](CO)O[C@@H](C)C1 ZINC000230417876 357524152 /nfs/dbraw/zinc/52/41/52/357524152.db2.gz RGDRXSKXPQVYSE-WDEREUQCSA-N 0 3 231.336 0.883 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC[C@@](C)(O)CC1 ZINC000230375795 357531030 /nfs/dbraw/zinc/53/10/30/357531030.db2.gz YCWQWORDZAKKDW-CMPLNLGQSA-N 0 3 228.336 0.700 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@](C)(O)CC1 ZINC000230379304 357532502 /nfs/dbraw/zinc/53/25/02/357532502.db2.gz QCPCAKIKTRIIFW-LBPRGKRZSA-N 0 3 228.336 0.702 20 0 BCADHN O=C(NC(C1CC1)C1CC1)[C@H]1C[C@H](F)CN1 ZINC000188299886 357538605 /nfs/dbraw/zinc/53/86/05/357538605.db2.gz GQPUPAQVGBGUTI-VHSXEESVSA-N 0 3 226.295 0.991 20 0 BCADHN CCCCN(CCOC)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188541303 357559279 /nfs/dbraw/zinc/55/92/79/357559279.db2.gz FCQVQQYFTHUCNB-WDEREUQCSA-N 0 3 246.326 0.962 20 0 BCADHN C[C@H]1CC[C@H](CN(C)CCN2CCOCC2)O1 ZINC000188549907 357560378 /nfs/dbraw/zinc/56/03/78/357560378.db2.gz YWFCYRZDHZZPAQ-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@]1(CNC(=O)[C@H]2C[C@H](F)CN2)CCCO1 ZINC000188545071 357560454 /nfs/dbraw/zinc/56/04/54/357560454.db2.gz ZERDOZKNXYNYRT-NGZCFLSTSA-N 0 3 230.283 0.372 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188553317 357561751 /nfs/dbraw/zinc/56/17/51/357561751.db2.gz FJZGWEHKECTZCY-AXTSPUMRSA-N 0 3 232.299 0.210 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188582662 357562867 /nfs/dbraw/zinc/56/28/67/357562867.db2.gz NRRMWYQAUCAIOC-KXUCPTDWSA-N 0 3 232.299 0.211 20 0 BCADHN CC(C)N1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188710146 357565837 /nfs/dbraw/zinc/56/58/37/357565837.db2.gz CEERLGMMWXHVRW-WDEREUQCSA-N 0 3 243.326 0.239 20 0 BCADHN C[C@H]1C(=O)NCCCN1CCCCCO ZINC000189297722 357626386 /nfs/dbraw/zinc/62/63/86/357626386.db2.gz IZGFZXLTRKJOLM-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000231855313 357627056 /nfs/dbraw/zinc/62/70/56/357627056.db2.gz NHYAPMKRFUEZSG-UWVGGRQHSA-N 0 3 243.351 0.343 20 0 BCADHN Cn1cnc(CCNCc2cncc(F)c2)n1 ZINC000230941594 357583611 /nfs/dbraw/zinc/58/36/11/357583611.db2.gz NOKLQBYKBXXWNN-UHFFFAOYSA-N 0 3 235.266 0.682 20 0 BCADHN OCCOCCCNCc1cncc(F)c1 ZINC000230942303 357585092 /nfs/dbraw/zinc/58/50/92/357585092.db2.gz HRQGXTOJVAZUKJ-UHFFFAOYSA-N 0 3 228.267 0.709 20 0 BCADHN OC[C@H]1CCCN1C[C@H](O)CC(F)(F)F ZINC000188909258 357589545 /nfs/dbraw/zinc/58/95/45/357589545.db2.gz PKYSFNPWNWIFSM-HTQZYQBOSA-N 0 3 227.226 0.756 20 0 BCADHN CSC[C@@H](O)CN1CCCC[C@@]1(C)C(N)=O ZINC000188884379 357594708 /nfs/dbraw/zinc/59/47/08/357594708.db2.gz QQLLECYLCFMSNX-ONGXEEELSA-N 0 3 246.376 0.440 20 0 BCADHN CCN(CC)C(=O)CN[C@H](CCO)C(C)C ZINC000231040855 357596815 /nfs/dbraw/zinc/59/68/15/357596815.db2.gz RWPQAIFKAFVFPR-LLVKDONJSA-N 0 3 230.352 0.851 20 0 BCADHN C[C@H]1C(=O)NCCCN1CCCn1ccnc1 ZINC000189315256 357631292 /nfs/dbraw/zinc/63/12/92/357631292.db2.gz HPXMHOFNQPLVPP-NSHDSACASA-N 0 3 236.319 0.484 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N1CCN[C@H](C)C1 ZINC000189013097 357600491 /nfs/dbraw/zinc/60/04/91/357600491.db2.gz NEESTKJRWVTVKA-NEPJUHHUSA-N 0 3 239.363 0.681 20 0 BCADHN O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1C[C@H](F)CN1 ZINC000188961030 357605113 /nfs/dbraw/zinc/60/51/13/357605113.db2.gz KTWQFSNFOHSZIY-SGIHWFKDSA-N 0 3 230.283 0.106 20 0 BCADHN O=C(N[C@H]1CC[C@@H](CO)CC1)[C@H]1C[C@H](F)CN1 ZINC000188965843 357606604 /nfs/dbraw/zinc/60/66/04/357606604.db2.gz XLYHUTAFSOTXFV-XWLWVQCSSA-N 0 3 244.310 0.354 20 0 BCADHN C[C@H]1CN(CCn2ccccc2=O)CC[C@@H]1O ZINC000159468116 538877433 /nfs/dbraw/zinc/87/74/33/538877433.db2.gz RNXCVCKGLYADQN-RYUDHWBXSA-N 0 3 236.315 0.551 20 0 BCADHN CCN(CC)C(=O)CCN1CCN(CC)CC1 ZINC000231495218 357614987 /nfs/dbraw/zinc/61/49/87/357614987.db2.gz SJRVRWUKNORCFT-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CN(C)CCOCCNC(=O)NC1CCC1 ZINC000231652172 357616511 /nfs/dbraw/zinc/61/65/11/357616511.db2.gz WYESSJABBPAWJV-UHFFFAOYSA-N 0 3 229.324 0.416 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H](C)[C@H](C)OC ZINC000189957029 357677983 /nfs/dbraw/zinc/67/79/83/357677983.db2.gz BTHXOANGKXMWLH-UWVGGRQHSA-N 0 3 231.340 0.661 20 0 BCADHN COC[C@H](CCO)NCc1ccc(OC)nc1 ZINC000232153773 357653021 /nfs/dbraw/zinc/65/30/21/357653021.db2.gz RHDBPJCHIGQEMS-NSHDSACASA-N 0 3 240.303 0.577 20 0 BCADHN CC(C)NC(=O)c1cc2n(n1)CCC[C@H]2N ZINC000685947989 538889771 /nfs/dbraw/zinc/88/97/71/538889771.db2.gz UQWUSWNLDVQSPS-MRVPVSSYSA-N 0 3 222.292 0.815 20 0 BCADHN C[C@@]1(O)CCN(CCO[C@@H]2CCCCO2)C1 ZINC000189843399 357673107 /nfs/dbraw/zinc/67/31/07/357673107.db2.gz UHTYMFQAYHVQSP-VXGBXAGGSA-N 0 3 229.320 0.986 20 0 BCADHN COCCCCN1CCCNC(=O)[C@@H]1C ZINC000189329586 357632174 /nfs/dbraw/zinc/63/21/74/357632174.db2.gz YVBGZEXAGKUAFE-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000232018040 357638687 /nfs/dbraw/zinc/63/86/87/357638687.db2.gz VKQIHNJJXMLOME-OUAUKWLOSA-N 0 3 228.336 0.997 20 0 BCADHN CC(C)N1CC[C@H](N2C[C@@H](C)[C@H](CO)C2)C1=O ZINC000190882985 357728962 /nfs/dbraw/zinc/72/89/62/357728962.db2.gz DHYWDPFLBFRNRY-WOPDTQHZSA-N 0 3 240.347 0.556 20 0 BCADHN OCCN(CCO)C[C@H](O)C1CCCCC1 ZINC000190513924 357713725 /nfs/dbraw/zinc/71/37/25/357713725.db2.gz DITKNBCXDDYSIW-LBPRGKRZSA-N 0 3 231.336 0.214 20 0 BCADHN C[C@H]1CC[C@H](CN2CCCN(C(N)=O)CC2)O1 ZINC000190502587 357713794 /nfs/dbraw/zinc/71/37/94/357713794.db2.gz JHZHIORSFNIJSU-WDEREUQCSA-N 0 3 241.335 0.640 20 0 BCADHN CC[C@H](C)NC(=O)CN1CCC[C@@]1(C)CO ZINC000545396151 325218436 /nfs/dbraw/zinc/21/84/36/325218436.db2.gz YVHNBFZEYQEGDT-JQWIXIFHSA-N 0 3 228.336 0.748 20 0 BCADHN CCCN(C)CC(=O)NC(=O)N[C@H](C)COC ZINC000063762031 357717272 /nfs/dbraw/zinc/71/72/72/357717272.db2.gz JUTBYAOHLDHADX-SECBINFHSA-N 0 3 245.323 0.189 20 0 BCADHN CC(C)N1CC[C@@H](N2C[C@@H](C)[C@H](CO)C2)C1=O ZINC000190882963 357728665 /nfs/dbraw/zinc/72/86/65/357728665.db2.gz DHYWDPFLBFRNRY-GRYCIOLGSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCCOCC1CCC1 ZINC000583253734 357723599 /nfs/dbraw/zinc/72/35/99/357723599.db2.gz MMLUWJJUOQBNSW-PWSUYJOCSA-N 0 3 240.347 0.917 20 0 BCADHN CCN1CCCN(CC2CCOCC2)CC1=O ZINC000190176157 357691008 /nfs/dbraw/zinc/69/10/08/357691008.db2.gz CNUDZTUDLHOMJF-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CCCNC(=O)CN[C@@H]1C[C@@H](OC)C1(C)C ZINC000233040441 357693131 /nfs/dbraw/zinc/69/31/31/357693131.db2.gz ZGBFWULTNARNEB-NXEZZACHSA-N 0 3 228.336 0.916 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCN1CC=CCC1 ZINC000392883766 357700402 /nfs/dbraw/zinc/70/04/02/357700402.db2.gz PGKHSXYAAOSGEB-CYBMUJFWSA-N 0 3 239.363 0.882 20 0 BCADHN CCOC(=O)COCCN1CCN(C)C[C@@H]1C ZINC000233667778 357731485 /nfs/dbraw/zinc/73/14/85/357731485.db2.gz PDHHDAQNOLPWEL-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190917851 357732717 /nfs/dbraw/zinc/73/27/17/357732717.db2.gz FPBOYRBALXMGBG-RHYQMDGZSA-N 0 3 242.363 0.850 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190917834 357732862 /nfs/dbraw/zinc/73/28/62/357732862.db2.gz FPBOYRBALXMGBG-WYUUTHIRSA-N 0 3 242.363 0.850 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1CC[C@H](O)C1)N(C)C ZINC000191181699 357739802 /nfs/dbraw/zinc/73/98/02/357739802.db2.gz BBGJXSMIJLDJDD-DCAQKATOSA-N 0 3 228.336 0.604 20 0 BCADHN COc1ccc(CN[C@@H]2CCOC[C@H]2O)cc1 ZINC000623763902 357755393 /nfs/dbraw/zinc/75/53/93/357755393.db2.gz VTIPWEGQPQYGPY-CHWSQXEVSA-N 0 3 237.299 0.935 20 0 BCADHN CC[C@](C)(O)CN1CCCN(C)C(=O)C1 ZINC000191151279 357755478 /nfs/dbraw/zinc/75/54/78/357755478.db2.gz YSSANIASMYPRMR-NSHDSACASA-N 0 3 214.309 0.312 20 0 BCADHN CC[C@@](C)(OC)C(=O)NC[C@](C)(O)CN(C)C ZINC000233987703 357765353 /nfs/dbraw/zinc/76/53/53/357765353.db2.gz LIMHSZXZJGTLBW-NWDGAFQWSA-N 0 3 246.351 0.230 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC000191461352 357772075 /nfs/dbraw/zinc/77/20/75/357772075.db2.gz ZYDIKGIOBUUCFG-VHSXEESVSA-N 0 3 216.325 0.866 20 0 BCADHN C[C@@H]1COCCN1CCN(C)CC(C)(C)O ZINC000191496319 357774706 /nfs/dbraw/zinc/77/47/06/357774706.db2.gz ZPDDWEZIYBLDEQ-LLVKDONJSA-N 0 3 230.352 0.410 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(F)nc2)C1 ZINC000191886496 357801927 /nfs/dbraw/zinc/80/19/27/357801927.db2.gz GFWUWXCJJDYYHD-DTWKUNHWSA-N 0 3 239.250 0.536 20 0 BCADHN c1cnc(CN2CCN3CCC[C@@H]3C2)nc1 ZINC000192010654 357813655 /nfs/dbraw/zinc/81/36/55/357813655.db2.gz WOLPCWMMHVAAFL-LLVKDONJSA-N 0 3 218.304 0.757 20 0 BCADHN NC(=O)NC(=O)CNC1(c2ccccc2)CCC1 ZINC000064343689 357813991 /nfs/dbraw/zinc/81/39/91/357813991.db2.gz BIASBTNQIQKXTM-UHFFFAOYSA-N 0 3 247.298 0.850 20 0 BCADHN COCCCNC(=O)CN[C@]1(C)CCO[C@H]1C ZINC000234634412 357821553 /nfs/dbraw/zinc/82/15/53/357821553.db2.gz GOJVSYXPBKGERN-CMPLNLGQSA-N 0 3 244.335 0.296 20 0 BCADHN CCN1CN(CCN2CCCCC2)CC1=O ZINC000191525917 357782685 /nfs/dbraw/zinc/78/26/85/357782685.db2.gz UBVRXSOXTJNUOP-UHFFFAOYSA-N 0 3 225.336 0.594 20 0 BCADHN CCOC(=O)CCCCN(CC)CC(N)=O ZINC000191717779 357790032 /nfs/dbraw/zinc/79/00/32/357790032.db2.gz CKYWWVJASOLEKU-UHFFFAOYSA-N 0 3 230.308 0.527 20 0 BCADHN COCCNCC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000086157943 357861881 /nfs/dbraw/zinc/86/18/81/357861881.db2.gz MPXUPADPOOXHDP-WDEREUQCSA-N 0 3 228.336 0.917 20 0 BCADHN CC(C)[C@@H](CO)NCC(=O)N1CCCCC1 ZINC000086124102 357854671 /nfs/dbraw/zinc/85/46/71/357854671.db2.gz YCSIXUIXFNWHET-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H](NC[C@H]1COCCO1)c1ccnn1C ZINC000235195105 357854810 /nfs/dbraw/zinc/85/48/10/357854810.db2.gz VZEOJESPBWQAPW-ZJUUUORDSA-N 0 3 225.292 0.486 20 0 BCADHN CCC(C)(C)NC(=O)CN[C@@H](CO)C(C)C ZINC000086123532 357854957 /nfs/dbraw/zinc/85/49/57/357854957.db2.gz IIPRMBFBRCKHGN-JTQLQIEISA-N 0 3 230.352 0.898 20 0 BCADHN C[C@@H](NC[C@@H]1COCCO1)c1ccnn1C ZINC000235214930 357858204 /nfs/dbraw/zinc/85/82/04/357858204.db2.gz VZEOJESPBWQAPW-NXEZZACHSA-N 0 3 225.292 0.486 20 0 BCADHN CO[C@@]1(CN[C@H](C)c2ccnn2C)CCOC1 ZINC000234795014 357828708 /nfs/dbraw/zinc/82/87/08/357828708.db2.gz YQZQFGXTCWEGLP-ZYHUDNBSSA-N 0 3 239.319 0.876 20 0 BCADHN CO[C@@H]1CCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000234798252 357829096 /nfs/dbraw/zinc/82/90/96/357829096.db2.gz UHQILIFFNRSAMB-VHSXEESVSA-N 0 3 244.360 0.329 20 0 BCADHN COC[C@H](N[C@@H](CO)COC)C1CC1 ZINC000234830778 357832892 /nfs/dbraw/zinc/83/28/92/357832892.db2.gz NVBFOMXQZBAGJF-UWVGGRQHSA-N 0 3 203.282 0.008 20 0 BCADHN CSCC[C@@H](N)C(=O)N1CCN(C)C[C@H]1C ZINC000235045041 357841957 /nfs/dbraw/zinc/84/19/57/357841957.db2.gz KAZHJVCJWIASFX-NXEZZACHSA-N 0 3 245.392 0.229 20 0 BCADHN C[C@@H](O)CN1CCCN(CC(F)F)CC1 ZINC000193001979 357864385 /nfs/dbraw/zinc/86/43/85/357864385.db2.gz PTDVRZRISGSXRH-SECBINFHSA-N 0 3 222.279 0.640 20 0 BCADHN CC[C@H](C)NC(=O)C(C)S(=O)(=O)CC ZINC000193278065 357872219 /nfs/dbraw/zinc/87/22/19/357872219.db2.gz CDNPHSQMJODVTQ-JGVFFNPUSA-N 0 3 221.322 0.724 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N(C)CC(C)(C)O ZINC000086274518 357878906 /nfs/dbraw/zinc/87/89/06/357878906.db2.gz DBJREIBADHCNKO-JTQLQIEISA-N 0 3 230.352 0.946 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N(C)CC(C)(C)O ZINC000086274517 357879246 /nfs/dbraw/zinc/87/92/46/357879246.db2.gz DBJREIBADHCNKO-SNVBAGLBSA-N 0 3 230.352 0.946 20 0 BCADHN CCCNC(=O)[C@@H](C)N(CC)CC(C)(C)O ZINC000086274836 357880046 /nfs/dbraw/zinc/88/00/46/357880046.db2.gz YATRMTIPBYQIJE-SNVBAGLBSA-N 0 3 230.352 0.994 20 0 BCADHN OCCCN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639928532 357881995 /nfs/dbraw/zinc/88/19/95/357881995.db2.gz OEYCIRNQZIEWGN-CHWSQXEVSA-N 0 3 237.299 0.493 20 0 BCADHN CC[C@H](O)CCCNC(=O)[C@@H](C)NC1CC1 ZINC000398606686 357888188 /nfs/dbraw/zinc/88/81/88/357888188.db2.gz YNEJDSFYAJGDLX-KOLCDFICSA-N 0 3 228.336 0.794 20 0 BCADHN C[C@H](O)C[C@H](C)CNC[C@H](O)C(F)(F)F ZINC000398680483 357889362 /nfs/dbraw/zinc/88/93/62/357889362.db2.gz MUTIWMKBGWDKLI-FXQIFTODSA-N 0 3 229.242 0.906 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)C[C@H]1CCOC1 ZINC000399030261 357893993 /nfs/dbraw/zinc/89/39/93/357893993.db2.gz PSRBZQJEDJMWPP-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN N[C@@H](C(=O)NCCn1cccn1)C1CCC1 ZINC000399015249 357894129 /nfs/dbraw/zinc/89/41/29/357894129.db2.gz FRAKNUJGWUJYKT-SNVBAGLBSA-N 0 3 222.292 0.127 20 0 BCADHN CCN1CCC(NC(=O)C(C)(C)O)CC1 ZINC000387432511 357924757 /nfs/dbraw/zinc/92/47/57/357924757.db2.gz QLWBPJXSHRXFCG-UHFFFAOYSA-N 0 3 214.309 0.358 20 0 BCADHN CC[C@@H](CCO)CNC(=O)[C@H](N)C1CCC1 ZINC000399138440 357896672 /nfs/dbraw/zinc/89/66/72/357896672.db2.gz SRWNOENQKXSKAE-GXSJLCMTSA-N 0 3 228.336 0.639 20 0 BCADHN CC[C@@H](CCO)CNC(=O)[C@@H](N)C1CCC1 ZINC000399138446 357896912 /nfs/dbraw/zinc/89/69/12/357896912.db2.gz SRWNOENQKXSKAE-ONGXEEELSA-N 0 3 228.336 0.639 20 0 BCADHN N[C@H](C(=O)NCCCn1cccn1)C1CCC1 ZINC000399166613 357897295 /nfs/dbraw/zinc/89/72/95/357897295.db2.gz GWHXLQMXEFLCCF-NSHDSACASA-N 0 3 236.319 0.517 20 0 BCADHN CCc1cnc(CNC(=O)[C@@H](N)C2CCC2)o1 ZINC000399189019 357897718 /nfs/dbraw/zinc/89/77/18/357897718.db2.gz OZZUHPZLKXWDQV-NSHDSACASA-N 0 3 237.303 0.981 20 0 BCADHN C[C@@H](Cn1ccnc1)NC(=O)[C@H](N)C1CCC1 ZINC000399178940 357897852 /nfs/dbraw/zinc/89/78/52/357897852.db2.gz KWJLSBGCXWXDNJ-GXSJLCMTSA-N 0 3 236.319 0.515 20 0 BCADHN N[C@@H](C(=O)NCCCn1cccn1)C1CCC1 ZINC000399166611 357897911 /nfs/dbraw/zinc/89/79/11/357897911.db2.gz GWHXLQMXEFLCCF-LLVKDONJSA-N 0 3 236.319 0.517 20 0 BCADHN CCn1cc(NC(=O)[C@@H](N)C2CCC2)ccc1=O ZINC000399244938 357899425 /nfs/dbraw/zinc/89/94/25/357899425.db2.gz VPNXPVCJXXUTJN-LBPRGKRZSA-N 0 3 249.314 0.934 20 0 BCADHN C[C@@H](CNC(=O)c1cn2cccnc2n1)N(C)C ZINC000584397209 357908820 /nfs/dbraw/zinc/90/88/20/357908820.db2.gz NFLXHJRNBNZONK-VIFPVBQESA-N 0 3 247.302 0.409 20 0 BCADHN C[C@@H]1C[C@H](C)CN([C@H]2CC(=O)NC2=O)C1 ZINC000584418252 357915583 /nfs/dbraw/zinc/91/55/83/357915583.db2.gz HYLVQJASECXAAW-YIZRAAEISA-N 0 3 210.277 0.379 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000618704860 357919185 /nfs/dbraw/zinc/91/91/85/357919185.db2.gz CKUXORPUEKGGFB-WCQYABFASA-N 0 3 240.347 0.823 20 0 BCADHN CCN(CCN)C(=O)C(=O)NCC1=CCCC1 ZINC000627429030 357919247 /nfs/dbraw/zinc/91/92/47/357919247.db2.gz VHOBUYYBUQCDLE-UHFFFAOYSA-N 0 3 239.319 0.020 20 0 BCADHN CCN(C)C(=O)CNC[C@H](O)COCC(C)C ZINC000218276747 357921649 /nfs/dbraw/zinc/92/16/49/357921649.db2.gz IOGWKMCDOPQPKW-NSHDSACASA-N 0 3 246.351 0.088 20 0 BCADHN C[C@@H]1CCN(CCn2cccn2)[C@H](CO)C1 ZINC000639937335 357943671 /nfs/dbraw/zinc/94/36/71/357943671.db2.gz VXOWTTMPCLSPTI-NEPJUHHUSA-N 0 3 223.320 0.976 20 0 BCADHN CCCCN(C)CCNC(=O)c1csnn1 ZINC000352377562 168773271 /nfs/dbraw/zinc/77/32/71/168773271.db2.gz IZLVOXVPRZESPI-UHFFFAOYSA-N 0 3 242.348 1.000 20 0 BCADHN COC[C@@](C)(CO)NC[C@@H](O)COCC(C)C ZINC000639953530 357975730 /nfs/dbraw/zinc/97/57/30/357975730.db2.gz YCEURRABYSTKEP-VXGBXAGGSA-N 0 3 249.351 0.007 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000314384459 491118143 /nfs/dbraw/zinc/11/81/43/491118143.db2.gz OUEKKIIBCBZGHD-FVCCEPFGSA-N 0 3 242.363 0.551 20 0 BCADHN CCn1nccc1CCN[C@](C)(CO)COC ZINC000639956294 357979431 /nfs/dbraw/zinc/97/94/31/357979431.db2.gz DYLUPMFTBOOHGH-GFCCVEGCSA-N 0 3 241.335 0.433 20 0 BCADHN COC[C@](C)(CO)NCCc1cnccn1 ZINC000639958052 357982246 /nfs/dbraw/zinc/98/22/46/357982246.db2.gz OGILFLPPFDFMRF-NSHDSACASA-N 0 3 225.292 0.006 20 0 BCADHN COC[C@](C)(CO)NC[C@@H](O)CCC(C)C ZINC000639958466 357983504 /nfs/dbraw/zinc/98/35/04/357983504.db2.gz SSYMNPPTOUEBHZ-RYUDHWBXSA-N 0 3 233.352 0.771 20 0 BCADHN COC[C@@](C)(CO)NCCOCC1CC1 ZINC000639954776 357986530 /nfs/dbraw/zinc/98/65/30/357986530.db2.gz GFYDCUGPPHIMDM-LLVKDONJSA-N 0 3 217.309 0.400 20 0 BCADHN CC[C@@H](N)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000584470847 357989803 /nfs/dbraw/zinc/98/98/03/357989803.db2.gz MDRRNVSNOAGFEW-OPRDCNLKSA-N 0 3 214.309 0.343 20 0 BCADHN Cc1ccnc([C@@H]2CCN([C@H]3COC[C@H]3O)C2)c1 ZINC000584477997 357996069 /nfs/dbraw/zinc/99/60/69/357996069.db2.gz DFZJBVWPGKNPQY-KWCYVHTRSA-N 0 3 248.326 0.939 20 0 BCADHN C[C@@H]1CC[C@H](CN2CC[C@@H](CO)[C@@H](O)C2)O1 ZINC000584493297 358003033 /nfs/dbraw/zinc/00/30/33/358003033.db2.gz QFSWPDIKZFFJHI-KXNHARMFSA-N 0 3 229.320 0.229 20 0 BCADHN Cc1nc(C)c(CNC[C@@H]2COCCN2C)o1 ZINC000628453137 358010096 /nfs/dbraw/zinc/01/00/96/358010096.db2.gz LIIQOCZNKCUXPM-LLVKDONJSA-N 0 3 239.319 0.712 20 0 BCADHN CO[C@@H]1CN(Cc2cn[nH]c2)[C@](C)(CO)C1 ZINC000639998130 358035618 /nfs/dbraw/zinc/03/56/18/358035618.db2.gz CUJHMFOGUSNPTB-QWRGUYRKSA-N 0 3 225.292 0.381 20 0 BCADHN Cc1[nH]ncc1CN(C)Cc1cnnn1C ZINC000639971218 358021121 /nfs/dbraw/zinc/02/11/21/358021121.db2.gz OPPRAQGWWGAZGX-UHFFFAOYSA-N 0 3 220.280 0.479 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@@H](C)OC[C@@H]1CC ZINC000036871804 358055960 /nfs/dbraw/zinc/05/59/60/358055960.db2.gz RGUYXKAJAPLAEC-KXUCPTDWSA-N 0 3 214.309 0.750 20 0 BCADHN CC(C)n1cc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2N)cn1 ZINC000583866060 358050590 /nfs/dbraw/zinc/05/05/90/358050590.db2.gz NOUROPANKTVIFI-IEBDPFPHSA-N 0 3 236.319 0.988 20 0 BCADHN Cc1cc(CN(C)C(=O)CNC2CC2)no1 ZINC000037477013 358071242 /nfs/dbraw/zinc/07/12/42/358071242.db2.gz QHXBEBXSUWNECA-UHFFFAOYSA-N 0 3 223.276 0.693 20 0 BCADHN CN(Cc1ccncc1)C(=O)CNC1CC1 ZINC000037476993 358071443 /nfs/dbraw/zinc/07/14/43/358071443.db2.gz XKSRIFJITBQNAE-UHFFFAOYSA-N 0 3 219.288 0.792 20 0 BCADHN CN(Cc1cccnc1)C(=O)CNC1CC1 ZINC000037476992 358071516 /nfs/dbraw/zinc/07/15/16/358071516.db2.gz VKSPROBJNPCNKJ-UHFFFAOYSA-N 0 3 219.288 0.792 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](C)C(=O)N(C)C ZINC000037481505 358072523 /nfs/dbraw/zinc/07/25/23/358072523.db2.gz OFDHDTCZOLGHHS-KCJUWKMLSA-N 0 3 229.324 0.097 20 0 BCADHN CNCC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000169809558 134251839 /nfs/dbraw/zinc/25/18/39/134251839.db2.gz VZBHQOXIFJDRTB-GFCCVEGCSA-N 0 3 233.315 0.379 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000169809075 134251847 /nfs/dbraw/zinc/25/18/47/134251847.db2.gz HGPFPQFQUCLDOE-BDAKNGLRSA-N 0 3 222.292 0.463 20 0 BCADHN C[C@H](N)C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000169809167 134251854 /nfs/dbraw/zinc/25/18/54/134251854.db2.gz FECISGQEKDKAGU-JQWIXIFHSA-N 0 3 233.315 0.507 20 0 BCADHN Cc1ncc(CNCCN2CCOCC2)s1 ZINC000037505270 358078446 /nfs/dbraw/zinc/07/84/46/358078446.db2.gz QKUCKKHGOUWUGE-UHFFFAOYSA-N 0 3 241.360 0.873 20 0 BCADHN CN(Cc1ccco1)C(=O)CNC1CC1 ZINC000037386632 358078853 /nfs/dbraw/zinc/07/88/53/358078853.db2.gz KELOQIFYXAHKRE-UHFFFAOYSA-N 0 3 208.261 0.990 20 0 BCADHN CC[C@H]1CO[C@H](C)CN1C(=O)CNC1CC1 ZINC000037395054 358079882 /nfs/dbraw/zinc/07/98/82/358079882.db2.gz LXGMQOITFPLXND-KOLCDFICSA-N 0 3 226.320 0.764 20 0 BCADHN NC(=O)c1ccc(CN2C[C@H](O)C3(CC3)C2)cc1 ZINC000336478385 181294822 /nfs/dbraw/zinc/29/48/22/181294822.db2.gz YCCQUCSCUQCGSZ-LBPRGKRZSA-N 0 3 246.310 0.742 20 0 BCADHN CC[C@@]1(O)CCCN([C@@H](C)C(N)=O)C1 ZINC000640031134 358123076 /nfs/dbraw/zinc/12/30/76/358123076.db2.gz OQGAOIRQXQVYAO-WCBMZHEXSA-N 0 3 200.282 0.097 20 0 BCADHN CO[C@H](C)CN1C[C@@H]2C[C@H]1CN2C[C@H](C)OC ZINC000640049240 358134747 /nfs/dbraw/zinc/13/47/47/358134747.db2.gz KFYIOGLDAXQTNB-RNJOBUHISA-N 0 3 242.363 0.815 20 0 BCADHN CC[C@]1(O)CCCN(CCc2cn(C)nn2)C1 ZINC000640034681 358127318 /nfs/dbraw/zinc/12/73/18/358127318.db2.gz ASCBLDQPVFQRFI-LBPRGKRZSA-N 0 3 238.335 0.595 20 0 BCADHN CC(C)C[C@H](C)N1CC[C@H](S(N)(=O)=O)C1 ZINC000450621642 202213695 /nfs/dbraw/zinc/21/36/95/202213695.db2.gz MMHQHWKMWXULCY-UWVGGRQHSA-N 0 3 234.365 0.784 20 0 BCADHN C[C@@H](O)CCN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044449 358129446 /nfs/dbraw/zinc/12/94/46/358129446.db2.gz SMCVDBNFKXRUCF-HRDYMLBCSA-N 0 3 241.253 0.860 20 0 BCADHN COCC[C@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000171190562 134255773 /nfs/dbraw/zinc/25/57/73/134255773.db2.gz OYMCYPIMCBJJIF-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1O)N(C)C ZINC000134096993 325342781 /nfs/dbraw/zinc/34/27/81/325342781.db2.gz ADDZTSJPUIWYMN-UTUOFQBUSA-N 0 3 242.363 0.992 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC000583881120 358115264 /nfs/dbraw/zinc/11/52/64/358115264.db2.gz SGIQFZDTJGQAED-NXEZZACHSA-N 0 3 242.319 0.254 20 0 BCADHN COCCCN1CCC[C@@H](n2cncn2)C1 ZINC000171619332 134257219 /nfs/dbraw/zinc/25/72/19/134257219.db2.gz MYPOERIJVFGVON-LLVKDONJSA-N 0 3 224.308 0.952 20 0 BCADHN O=C(c1cc[nH]n1)N1CC[C@@H](N2CCCC2)C1 ZINC000171441324 134257879 /nfs/dbraw/zinc/25/78/79/134257879.db2.gz VMFAMRRNUGHGQS-SNVBAGLBSA-N 0 3 234.303 0.720 20 0 BCADHN COCCOC[C@@H](O)CN1CCC(C)(F)CC1 ZINC000640071457 358162241 /nfs/dbraw/zinc/16/22/41/358162241.db2.gz NRKUBECHHKRGOG-NSHDSACASA-N 0 3 249.326 0.834 20 0 BCADHN Cc1ncc(CN[C@H](C)[C@@H](C)CO)n1C ZINC000584733026 358164640 /nfs/dbraw/zinc/16/46/40/358164640.db2.gz WDWMMEKAHXYLLW-DTWKUNHWSA-N 0 3 211.309 0.835 20 0 BCADHN CC(C)CCCC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000450618626 202213941 /nfs/dbraw/zinc/21/39/41/202213941.db2.gz FKTRXJJQEDHWQR-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H](C)[C@H]1CCCO1 ZINC000252448301 535404361 /nfs/dbraw/zinc/40/43/61/535404361.db2.gz VEJJVQZPAFJQDR-LPEHRKFASA-N 0 3 214.309 0.668 20 0 BCADHN COCCOC[C@@H](O)CN1CC=C(C)CC1 ZINC000450627292 202215282 /nfs/dbraw/zinc/21/52/82/202215282.db2.gz WQWAEDOUPXBJIV-LBPRGKRZSA-N 0 3 229.320 0.662 20 0 BCADHN [NH3+]CCCC[N-]S(=O)(=O)c1cscn1 ZINC000584782248 358177041 /nfs/dbraw/zinc/17/70/41/358177041.db2.gz ODTHRNMAZPHIDH-UHFFFAOYSA-N 0 3 235.334 0.160 20 0 BCADHN O[C@@H](CN1C[C@@H]2C[C@H]1C[C@H](O)C2)C(F)(F)F ZINC000640079207 358180580 /nfs/dbraw/zinc/18/05/80/358180580.db2.gz ZHIRJNZYROHEOP-XAVMHZPKSA-N 0 3 239.237 0.755 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C ZINC000252691495 535405874 /nfs/dbraw/zinc/40/58/74/535405874.db2.gz YFNJJOXMPIUNGC-XHNCKOQMSA-N 0 3 200.282 0.278 20 0 BCADHN CCC[C@H](O)CN1CC[C@H](N2CCCC2=O)C1 ZINC000450634502 202219897 /nfs/dbraw/zinc/21/98/97/202219897.db2.gz GCGWIYAUEWAXBW-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN COC(=O)C1(CN2CCN(C)[C@H](C)[C@@H]2C)CC1 ZINC000450650294 202224029 /nfs/dbraw/zinc/22/40/29/202224029.db2.gz KAWVWVLMRNMEJE-MNOVXSKESA-N 0 3 240.347 0.964 20 0 BCADHN COCCCCN1CCC[C@@H]1C(N)=O ZINC000172178909 134262549 /nfs/dbraw/zinc/26/25/49/134262549.db2.gz UEVPMZPZXGQRPF-SECBINFHSA-N 0 3 200.282 0.363 20 0 BCADHN COCCCOCCN(C)C[C@@](C)(O)C(C)=O ZINC000450656443 202228815 /nfs/dbraw/zinc/22/88/15/202228815.db2.gz ZHCFMSZFRGDZMZ-GFCCVEGCSA-N 0 3 247.335 0.311 20 0 BCADHN CCCCN(CCCO)C[C@](C)(O)C(C)=O ZINC000450686668 202234063 /nfs/dbraw/zinc/23/40/63/202234063.db2.gz CTWBBJCZACMRDS-LBPRGKRZSA-N 0 3 231.336 0.811 20 0 BCADHN COCCNCC(=O)NCC[C@H]1CCCCO1 ZINC000224083630 358231255 /nfs/dbraw/zinc/23/12/55/358231255.db2.gz KLLQEARQMNUVSO-LLVKDONJSA-N 0 3 244.335 0.298 20 0 BCADHN COC[C@H](CN1CCN(C)[C@@H](C(C)C)C1)OC ZINC000640141100 358232145 /nfs/dbraw/zinc/23/21/45/358232145.db2.gz WZBIJDVKBUWUDX-QWHCGFSZSA-N 0 3 244.379 0.920 20 0 BCADHN O=C(CNC1CC1)NCc1nnc2ccccn21 ZINC000040420297 358235640 /nfs/dbraw/zinc/23/56/40/358235640.db2.gz MAAODOFTVYAQJP-UHFFFAOYSA-N 0 3 245.286 0.098 20 0 BCADHN CNC(=O)c1cccc(NC(=O)CNC(C)C)c1 ZINC000040419240 358235903 /nfs/dbraw/zinc/23/59/03/358235903.db2.gz GHXVWACJWLCQMB-UHFFFAOYSA-N 0 3 249.314 0.983 20 0 BCADHN CC1(C)CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1 ZINC000395189669 491125625 /nfs/dbraw/zinc/12/56/25/491125625.db2.gz HQGJBYDKBPCUKA-MYJAWHEDSA-N 0 3 224.304 0.089 20 0 BCADHN NC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000172297014 134264992 /nfs/dbraw/zinc/26/49/92/134264992.db2.gz BNYWJDXABYYNEM-JTQLQIEISA-N 0 3 227.308 0.298 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000040854249 358247582 /nfs/dbraw/zinc/24/75/82/358247582.db2.gz UWHPNMYLNIFLOH-SNVBAGLBSA-N 0 3 235.287 0.722 20 0 BCADHN CCC[C@@H](O)CN[C@@H](C(=O)NC)C(C)C ZINC000450669192 202230685 /nfs/dbraw/zinc/23/06/85/202230685.db2.gz BAKPJEPFUMEGHJ-NXEZZACHSA-N 0 3 216.325 0.508 20 0 BCADHN C[C@@H](N[C@@H](C)[C@@H]1CCCO1)C(=O)N(C)C ZINC000223108697 358221021 /nfs/dbraw/zinc/22/10/21/358221021.db2.gz UOAJUDSNLBEZKH-AEJSXWLSSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@@H](CO)[C@H](C)NCC(=O)N(C)CC1CC1 ZINC000450734908 202248166 /nfs/dbraw/zinc/24/81/66/202248166.db2.gz XPAVLXHWQYXSJM-UWVGGRQHSA-N 0 3 228.336 0.461 20 0 BCADHN CCOCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000334225696 535413742 /nfs/dbraw/zinc/41/37/42/535413742.db2.gz YTLYCYRDJKKHKU-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN CCC[C@H](O)CN(C)[C@@H](C)C[S@](C)=O ZINC000450720739 202243741 /nfs/dbraw/zinc/24/37/41/202243741.db2.gz UQUKIZVQYIWLMT-BHDSKKPTSA-N 0 3 221.366 0.846 20 0 BCADHN CCC[C@H](O)CN(C)[C@@H](C)C[S@@](C)=O ZINC000450720741 202245184 /nfs/dbraw/zinc/24/51/84/202245184.db2.gz UQUKIZVQYIWLMT-PKFCDNJMSA-N 0 3 221.366 0.846 20 0 BCADHN C[C@H](O)CCN1CCCC[C@]1(C)C(N)=O ZINC000450744046 202253330 /nfs/dbraw/zinc/25/33/30/202253330.db2.gz KNYHVIOWUKOZOH-GXSJLCMTSA-N 0 3 214.309 0.487 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H]1CCSC1 ZINC000225489006 358301384 /nfs/dbraw/zinc/30/13/84/358301384.db2.gz IERUVNXQAULONT-YUMQZZPRSA-N 0 3 234.390 0.689 20 0 BCADHN COC[C@H](C)CNC(=O)CNC1CC1 ZINC000041679474 358333691 /nfs/dbraw/zinc/33/36/91/358333691.db2.gz DDKRNHGZNRWKFV-MRVPVSSYSA-N 0 3 200.282 0.137 20 0 BCADHN COc1cc(N2C[C@@H]3CCN(C)[C@@H]3C2)ncn1 ZINC000450776313 202261729 /nfs/dbraw/zinc/26/17/29/202261729.db2.gz HLSAEMCKQOVINR-VHSXEESVSA-N 0 3 234.303 0.626 20 0 BCADHN CN1CCC[C@H](N2C[C@@H](O)C3(CC3)C2)C1=O ZINC000547645474 325377200 /nfs/dbraw/zinc/37/72/00/325377200.db2.gz GUAXFMGLTVKUTP-VHSXEESVSA-N 0 3 224.304 0.064 20 0 BCADHN Cc1ncc(CNC[C@]2(O)CCO[C@@H]2C)n1C ZINC000578207176 366392106 /nfs/dbraw/zinc/39/21/06/366392106.db2.gz NCSHQKSEEOLAJW-BXKDBHETSA-N 0 3 239.319 0.358 20 0 BCADHN Cc1c(CNC[C@H](O)Cn2cccn2)cnn1C ZINC000226383442 358338556 /nfs/dbraw/zinc/33/85/56/358338556.db2.gz JMHVVNWVELGRMF-LBPRGKRZSA-N 0 3 249.318 0.076 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1csc(C)n1 ZINC000226416205 358338964 /nfs/dbraw/zinc/33/89/64/358338964.db2.gz FGWWXDCKDKOJOE-ZETCQYMHSA-N 0 3 227.333 0.718 20 0 BCADHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)C(=O)N(C)C ZINC000226593699 358341173 /nfs/dbraw/zinc/34/11/73/358341173.db2.gz GZDSPXYKEVFVED-DJLDLDEBSA-N 0 3 214.309 0.212 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000226702856 358343441 /nfs/dbraw/zinc/34/34/41/358343441.db2.gz RDWAYHWDLPGRKS-YIZRAAEISA-N 0 3 200.282 0.407 20 0 BCADHN C[C@H](NC(=O)CNC1CC1)C1CCOCC1 ZINC000229087284 358344842 /nfs/dbraw/zinc/34/48/42/358344842.db2.gz BRBKMDQZUVAQPS-VIFPVBQESA-N 0 3 226.320 0.670 20 0 BCADHN CO[C@@H](CN)C(=O)N(Cc1ccncc1)C1CC1 ZINC000227363318 358355114 /nfs/dbraw/zinc/35/51/14/358355114.db2.gz PMZLTJKTPKTJMP-LBPRGKRZSA-N 0 3 249.314 0.546 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1ccoc1C ZINC000227377464 358354569 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/nfs/dbraw/zinc/35/52/67/358355267.db2.gz BHDUVVFQGXEOAT-GFCCVEGCSA-N 0 3 249.314 0.546 20 0 BCADHN NC1(C(=O)NCc2cccc(CO)c2)CCC1 ZINC000227281784 358353233 /nfs/dbraw/zinc/35/32/33/358353233.db2.gz QDNJRENTNZYJNG-UHFFFAOYSA-N 0 3 234.299 0.677 20 0 BCADHN CO[C@@H](CN)c1nc(-c2ccco2)no1 ZINC000227298440 358353259 /nfs/dbraw/zinc/35/32/59/358353259.db2.gz PLMFSBRTFLPJQZ-ZETCQYMHSA-N 0 3 209.205 0.976 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc(C)c(O)c1C ZINC000227357834 358353920 /nfs/dbraw/zinc/35/39/20/358353920.db2.gz YEQQTHGDBBXQMI-JTQLQIEISA-N 0 3 238.287 0.921 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@H](C)c1nccs1 ZINC000227418929 358356576 /nfs/dbraw/zinc/35/65/76/358356576.db2.gz UCPJBMPPJWEAFS-YUMQZZPRSA-N 0 3 243.332 0.337 20 0 BCADHN CO[C@@H](CN)C(=O)NCC[C@H]1CCCCO1 ZINC000227419463 358356796 /nfs/dbraw/zinc/35/67/96/358356796.db2.gz PSRHMKAOLOWFSO-ZJUUUORDSA-N 0 3 230.308 0.036 20 0 BCADHN CO[C@@H](CN)C(=O)NCC[C@@H]1CCCCO1 ZINC000227419449 358356879 /nfs/dbraw/zinc/35/68/79/358356879.db2.gz PSRHMKAOLOWFSO-UWVGGRQHSA-N 0 3 230.308 0.036 20 0 BCADHN [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2c[n-]nn2)C1 ZINC000227597927 358360482 /nfs/dbraw/zinc/36/04/82/358360482.db2.gz OBFMLDOROIEPHN-HTQZYQBOSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC000227597927 358360485 /nfs/dbraw/zinc/36/04/85/358360485.db2.gz OBFMLDOROIEPHN-HTQZYQBOSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cn[n-]n2)C1 ZINC000227597927 358360487 /nfs/dbraw/zinc/36/04/87/358360487.db2.gz OBFMLDOROIEPHN-HTQZYQBOSA-N 0 3 223.280 0.052 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N[C@@H]1C[C@@H](O)C1(C)C ZINC000228977241 358387146 /nfs/dbraw/zinc/38/71/46/358387146.db2.gz PDSPSTYJFOKGAZ-HBNTYKKESA-N 0 3 242.363 0.896 20 0 BCADHN COC(=O)C(C)(C)CN[C@@H](C)C(=O)NC1CC1 ZINC000134997623 325387330 /nfs/dbraw/zinc/38/73/30/325387330.db2.gz LZVIDKNNEXOZTO-QMMMGPOBSA-N 0 3 242.319 0.442 20 0 BCADHN CO[C@H]1CN(C(=O)[C@H](C)N)CC[C@@H]1C ZINC000230242347 358396341 /nfs/dbraw/zinc/39/63/41/358396341.db2.gz WLICRZLGDIZXSU-CIUDSAMLSA-N 0 3 200.282 0.217 20 0 BCADHN O=C(CNC1CC1)NCCCCn1ccnc1 ZINC000045109220 358401571 /nfs/dbraw/zinc/40/15/71/358401571.db2.gz FWFZGDZGWGUDOX-UHFFFAOYSA-N 0 3 236.319 0.532 20 0 BCADHN CCOCCN1CCC[C@H]1CN1CCOCC1 ZINC000174021479 134280399 /nfs/dbraw/zinc/28/03/99/134280399.db2.gz XMRIJWDOAWAMBA-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN CN(CC(=O)N1CCN(C)CC1)C1CCCC1 ZINC000180419271 366450700 /nfs/dbraw/zinc/45/07/00/366450700.db2.gz GZXUYCWZCQSKBR-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)C1(N)CCC1 ZINC000231081339 358414473 /nfs/dbraw/zinc/41/44/73/358414473.db2.gz HNLKBWLADUIPNX-VIFPVBQESA-N 0 3 214.309 0.391 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](CCO)C(C)C ZINC000231080691 358414521 /nfs/dbraw/zinc/41/45/21/358414521.db2.gz IUNSEELTPGTZQL-DTWKUNHWSA-N 0 3 202.298 0.118 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N[C@@H]2CCSC2)C1 ZINC000231352542 358416846 /nfs/dbraw/zinc/41/68/46/358416846.db2.gz IIZYXHMSIZMXKD-OPRDCNLKSA-N 0 3 228.361 0.996 20 0 BCADHN COCCNCC(=O)N[C@H](COC)C(C)C ZINC000086158387 358426413 /nfs/dbraw/zinc/42/64/13/358426413.db2.gz JEKNVNPKUFRANE-SNVBAGLBSA-N 0 3 232.324 0.010 20 0 BCADHN COCCN(CCO)CCCc1cnn(C)c1 ZINC000104958632 358547422 /nfs/dbraw/zinc/54/74/22/358547422.db2.gz XCKPRVJBUAEQTN-UHFFFAOYSA-N 0 3 241.335 0.293 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1CCC(CO)CC1 ZINC000046091548 358570044 /nfs/dbraw/zinc/57/00/44/358570044.db2.gz KFYKUSFJGPCUQL-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN ZINC000042577289 358526673 /nfs/dbraw/zinc/52/66/73/358526673.db2.gz OSOIVLPZKKDOBY-UWVGGRQHSA-N 0 3 241.335 0.146 20 0 BCADHN CCCN1CCCN(CC(=O)NC(C)C)CC1 ZINC000047718413 358600672 /nfs/dbraw/zinc/60/06/72/358600672.db2.gz DXGSCXLXAQXUCQ-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN CCC[C@H](CCO)N[C@@H]1CCCS(=O)(=O)C1 ZINC000631669843 358609824 /nfs/dbraw/zinc/60/98/24/358609824.db2.gz RYTQFYJHJJGQPM-GHMZBOCLSA-N 0 3 249.376 0.704 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)NCC(F)F ZINC000640196604 358618493 /nfs/dbraw/zinc/61/84/93/358618493.db2.gz KSHYCXGSBUJJFF-UHFFFAOYSA-N 0 3 235.278 0.987 20 0 BCADHN COCCNCCNC(=O)C1CCCCC1 ZINC000212712417 358620589 /nfs/dbraw/zinc/62/05/89/358620589.db2.gz AWTGEUFSVTVAOD-UHFFFAOYSA-N 0 3 228.336 0.919 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000130420491 358624898 /nfs/dbraw/zinc/62/48/98/358624898.db2.gz UAWLIALNODXUOB-IVZWLZJFSA-N 0 3 226.320 0.763 20 0 BCADHN CCN1CCCN(C(=O)NCC(F)F)CC1 ZINC000640196127 358629750 /nfs/dbraw/zinc/62/97/50/358629750.db2.gz BXKFFBCUBQYACG-UHFFFAOYSA-N 0 3 235.278 0.989 20 0 BCADHN C[C@H](CN(C)C)Nc1ncnc2nc[nH]c21 ZINC000130594443 358633373 /nfs/dbraw/zinc/63/33/73/358633373.db2.gz OCPMJVJZCFZKCX-SSDOTTSWSA-N 0 3 220.280 0.715 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)NCCn1cccn1 ZINC000175208044 134285971 /nfs/dbraw/zinc/28/59/71/134285971.db2.gz JFWDBHLRWBGIKR-LLVKDONJSA-N 0 3 238.335 0.728 20 0 BCADHN CCOCCNC(=O)[C@H](C(C)C)N(C)C ZINC000130676892 358639489 /nfs/dbraw/zinc/63/94/89/358639489.db2.gz JJGFYIGBGJTHQB-JTQLQIEISA-N 0 3 216.325 0.725 20 0 BCADHN COC(=O)CCCN1CCC[C@H](CC(N)=O)C1 ZINC000175266495 134286472 /nfs/dbraw/zinc/28/64/72/134286472.db2.gz WITNHTXBJBNERW-SNVBAGLBSA-N 0 3 242.319 0.527 20 0 BCADHN COCCCNC(=O)[C@H](C(C)C)N(C)C ZINC000129615807 358590499 /nfs/dbraw/zinc/59/04/99/358590499.db2.gz GZAVRWWZONJSNF-JTQLQIEISA-N 0 3 216.325 0.725 20 0 BCADHN CCC1CCN([C@@H](C)C(=O)NC(=O)NC)CC1 ZINC000048584447 358641886 /nfs/dbraw/zinc/64/18/86/358641886.db2.gz KYYYXAQTVBWNGF-VIFPVBQESA-N 0 3 241.335 0.953 20 0 BCADHN C[C@@H]1CO[C@@H](CO)CN1CCN1CCCCC1 ZINC000129714774 358595220 /nfs/dbraw/zinc/59/52/20/358595220.db2.gz LDMKIUXOGKCGTQ-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN Cc1nnc(NC(=O)N[C@H]2CCN(C)C2)s1 ZINC000048920706 358661496 /nfs/dbraw/zinc/66/14/96/358661496.db2.gz WILVXDPZAKPKHF-ZETCQYMHSA-N 0 3 241.320 0.672 20 0 BCADHN C[C@@H](O)CCNC(=O)c1ccc2c(c1)CNC2 ZINC000131179201 358664203 /nfs/dbraw/zinc/66/42/03/358664203.db2.gz WVBDWVWFCPHVRY-SECBINFHSA-N 0 3 234.299 0.791 20 0 BCADHN CCC[C@@H]1CCCCN1C(=O)C(=O)NCCN ZINC000213136084 358670387 /nfs/dbraw/zinc/67/03/87/358670387.db2.gz VFADXPACWRDVSW-SNVBAGLBSA-N 0 3 241.335 0.243 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H](C)[C@H](C)CO)N(C)C ZINC000132057348 358705299 /nfs/dbraw/zinc/70/52/99/358705299.db2.gz DTNMIDYHGGCRAN-GMTAPVOTSA-N 0 3 230.352 0.706 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H](C)[C@@H](C)CO)N(C)C ZINC000132056711 358705387 /nfs/dbraw/zinc/70/53/87/358705387.db2.gz DTNMIDYHGGCRAN-GARJFASQSA-N 0 3 230.352 0.706 20 0 BCADHN CC[C@@H](NCC(=O)NC(N)=O)c1cccs1 ZINC000049530746 358693747 /nfs/dbraw/zinc/69/37/47/358693747.db2.gz WVOHCJFUSAFIHM-SSDOTTSWSA-N 0 3 241.316 0.984 20 0 BCADHN O=C(Cc1cc[nH]n1)N1CC[C@@H](N2CCCC2)C1 ZINC000175919653 134288201 /nfs/dbraw/zinc/28/82/01/134288201.db2.gz XOVADRWZDZEXIU-GFCCVEGCSA-N 0 3 248.330 0.649 20 0 BCADHN CNC(=O)CCCN(C)Cc1c(C)n[nH]c1C ZINC000131833740 358696067 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359027425 /nfs/dbraw/zinc/02/74/25/359027425.db2.gz KJRUYHKDNVRRCJ-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN COCCN1CCC[C@@H]1CNC(C)=O ZINC000069529177 359029360 /nfs/dbraw/zinc/02/93/60/359029360.db2.gz GHGQFIATYBWFTJ-SNVBAGLBSA-N 0 3 200.282 0.233 20 0 BCADHN CN(C)c1ncc(CNC[C@@H]2CCCO2)n1C ZINC000070142676 359043037 /nfs/dbraw/zinc/04/30/37/359043037.db2.gz VPCOSVDHYUDXMY-NSHDSACASA-N 0 3 238.335 0.755 20 0 BCADHN COC(=O)CCNC(=O)CN(C)C(C)C ZINC000070944636 359066416 /nfs/dbraw/zinc/06/64/16/359066416.db2.gz NWQIUMBZTRLTFS-UHFFFAOYSA-N 0 3 216.281 0.006 20 0 BCADHN COC[C@@H](C)NC(=O)CN(C)C(C)C ZINC000070944970 359066787 /nfs/dbraw/zinc/06/67/87/359066787.db2.gz WLKVOSUVEZUCIF-SECBINFHSA-N 0 3 202.298 0.478 20 0 BCADHN CCNC(=O)CN(CC)CCN1CCCCC1 ZINC000071810641 359082038 /nfs/dbraw/zinc/08/20/38/359082038.db2.gz ZPZQCCILAVGZEA-UHFFFAOYSA-N 0 3 241.379 0.930 20 0 BCADHN COC[C@@H](C)N1CCCN(C(C)=O)CC1 ZINC000072558454 359087184 /nfs/dbraw/zinc/08/71/84/359087184.db2.gz 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CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000247480252 359223859 /nfs/dbraw/zinc/22/38/59/359223859.db2.gz WAPIRKKNRWSRPL-PSASIEDQSA-N 0 3 237.307 0.263 20 0 BCADHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000247480252 359223862 /nfs/dbraw/zinc/22/38/62/359223862.db2.gz WAPIRKKNRWSRPL-PSASIEDQSA-N 0 3 237.307 0.263 20 0 BCADHN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000247480252 359223865 /nfs/dbraw/zinc/22/38/65/359223865.db2.gz WAPIRKKNRWSRPL-PSASIEDQSA-N 0 3 237.307 0.263 20 0 BCADHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000247480252 359223869 /nfs/dbraw/zinc/22/38/69/359223869.db2.gz WAPIRKKNRWSRPL-PSASIEDQSA-N 0 3 237.307 0.263 20 0 BCADHN CCOC(=O)C[C@H](O)CN(CCCO)C1CC1 ZINC000404228416 359311833 /nfs/dbraw/zinc/31/18/33/359311833.db2.gz DZPNLFIZGPNIAJ-NSHDSACASA-N 0 3 245.319 0.147 20 0 BCADHN CCOCCN1CCC(C(=O)NC)CC1 ZINC000248317979 359261308 /nfs/dbraw/zinc/26/13/08/359261308.db2.gz NTKVKDVCIORZDV-UHFFFAOYSA-N 0 3 214.309 0.481 20 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BCADHN CC[C@@H](N)C(=O)N1CCSC[C@H]1C ZINC000069761781 360421446 /nfs/dbraw/zinc/42/14/46/360421446.db2.gz AWFWKMLNKCREIO-HTQZYQBOSA-N 0 3 202.323 0.688 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N(C)C)CC2)[C@H](C)CN1C ZINC000613190164 360500578 /nfs/dbraw/zinc/50/05/78/360500578.db2.gz DHBMIHBGSSSWJZ-GHMZBOCLSA-N 0 3 239.363 0.632 20 0 BCADHN C[C@@H]1C[C@@H](CNCc2cn(C)nn2)CCO1 ZINC000381039388 360536637 /nfs/dbraw/zinc/53/66/37/360536637.db2.gz BXWLTEGNOISQGL-ZJUUUORDSA-N 0 3 224.308 0.720 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CO)C1 ZINC000633838770 360554764 /nfs/dbraw/zinc/55/47/64/360554764.db2.gz JRXMIMJBNXLNGB-GRYCIOLGSA-N 0 3 240.347 0.748 20 0 BCADHN CCC[C@H](CCO)NC(=O)Cc1nc[nH]c1C ZINC000633830655 360543243 /nfs/dbraw/zinc/54/32/43/360543243.db2.gz NRACGQNEUBAFJC-SNVBAGLBSA-N 0 3 239.319 0.928 20 0 BCADHN CC(C)N(C)CC(=O)N(C)CC1(C)COC1 ZINC000628670420 360604040 /nfs/dbraw/zinc/60/40/40/360604040.db2.gz DLWHSOZHQXIQLO-UHFFFAOYSA-N 0 3 228.336 0.822 20 0 BCADHN CC(C)[C@H](C(=O)N1CC2(C1)CCCO2)N(C)C ZINC000628785796 360650303 /nfs/dbraw/zinc/65/03/03/360650303.db2.gz LTOFRRJPOWXLKM-LLVKDONJSA-N 0 3 240.347 0.964 20 0 BCADHN NC(=O)c1cccc(CNCCCCO)c1 ZINC000193281198 181303655 /nfs/dbraw/zinc/30/36/55/181303655.db2.gz KFHMUUBSCBBEOC-UHFFFAOYSA-N 0 3 222.288 0.648 20 0 BCADHN OC[C@@H](O)CNCc1n[nH]c2ccccc12 ZINC000309504259 491150490 /nfs/dbraw/zinc/15/04/90/491150490.db2.gz MOUPYQBHPJHCGT-QMMMGPOBSA-N 0 3 221.260 0.006 20 0 BCADHN OC[C@@H](O)CNCc1[nH]nc2ccccc21 ZINC000309504259 491150491 /nfs/dbraw/zinc/15/04/91/491150491.db2.gz MOUPYQBHPJHCGT-QMMMGPOBSA-N 0 3 221.260 0.006 20 0 BCADHN C[N@@H+]1CCCC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC000628745506 360631744 /nfs/dbraw/zinc/63/17/44/360631744.db2.gz OGLSTXNSEDGVBU-VIFPVBQESA-N 0 3 237.307 0.266 20 0 BCADHN C[N@H+]1CCCC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC000628745506 360631750 /nfs/dbraw/zinc/63/17/50/360631750.db2.gz OGLSTXNSEDGVBU-VIFPVBQESA-N 0 3 237.307 0.266 20 0 BCADHN 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CC[C@H](N[C@H](COC)[C@H]1CCCO1)C(N)=O ZINC000309547910 491151088 /nfs/dbraw/zinc/15/10/88/491151088.db2.gz HJFJKUFTDASEGN-IVZWLZJFSA-N 0 3 230.308 0.034 20 0 BCADHN COCCNCCNC(=O)CCC(C)C ZINC000152309639 360739856 /nfs/dbraw/zinc/73/98/56/360739856.db2.gz KGQQKXMVSOVIAA-UHFFFAOYSA-N 0 3 216.325 0.775 20 0 BCADHN CN(C)CCNC(=O)COC(C)(C)C ZINC000154655064 360843832 /nfs/dbraw/zinc/84/38/32/360843832.db2.gz DYDWEEDIYKOKQL-UHFFFAOYSA-N 0 3 202.298 0.479 20 0 BCADHN NC(=O)c1csc(CNC2(CO)CCC2)c1 ZINC000157884426 181311932 /nfs/dbraw/zinc/31/19/32/181311932.db2.gz KRYCCSSROYSUEQ-UHFFFAOYSA-N 0 3 240.328 0.852 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)O ZINC000427619599 200696630 /nfs/dbraw/zinc/69/66/30/200696630.db2.gz BFMOZWGLIJTYGH-PSASIEDQSA-N 0 3 226.320 0.356 20 0 BCADHN CC(C)OC[C@H](C)N[C@@H]1COC[C@@H]1O ZINC000631202158 360879640 /nfs/dbraw/zinc/87/96/40/360879640.db2.gz ZIAWNXWJILQHNQ-AEJSXWLSSA-N 0 3 203.282 0.149 20 0 BCADHN C[C@@H]1CC[C@@H](N[C@@H]2COC[C@@H]2O)CS1 ZINC000631202097 360879733 /nfs/dbraw/zinc/87/97/33/360879733.db2.gz YFPGVBQASZWQJN-KYXWUPHJSA-N 0 3 217.334 0.620 20 0 BCADHN C[C@H]1CC[C@@H](N[C@@H]2COC[C@@H]2O)CS1 ZINC000631202093 360879957 /nfs/dbraw/zinc/87/99/57/360879957.db2.gz YFPGVBQASZWQJN-JLIMGVALSA-N 0 3 217.334 0.620 20 0 BCADHN C[C@H]1C[C@H]1CSc1nnnn1CCN(C)C ZINC000629133544 360897404 /nfs/dbraw/zinc/89/74/04/360897404.db2.gz GHIZHAALZFPVIX-IUCAKERBSA-N 0 3 241.364 0.983 20 0 BCADHN C[C@@H]1C[C@H]1CSc1nnnn1CCN(C)C ZINC000629133537 360897665 /nfs/dbraw/zinc/89/76/65/360897665.db2.gz GHIZHAALZFPVIX-BDAKNGLRSA-N 0 3 241.364 0.983 20 0 BCADHN C=C/C(C)=C\CC(=O)NCCN1CC[C@@H](O)C1 ZINC000629171799 360919027 /nfs/dbraw/zinc/91/90/27/360919027.db2.gz IYRBGBTTZPAHCY-CSXHZRMWSA-N 0 3 238.331 0.692 20 0 BCADHN COC1CCN(CCn2cccn2)CC1 ZINC000064139864 360910030 /nfs/dbraw/zinc/91/00/30/360910030.db2.gz RTHLOSFJCASENL-UHFFFAOYSA-N 0 3 209.293 0.994 20 0 BCADHN O=C(CCC(F)F)NCCN1CC[C@@H](O)C1 ZINC000629168794 360918156 /nfs/dbraw/zinc/91/81/56/360918156.db2.gz GIZOJCKTHPWYJJ-MRVPVSSYSA-N 0 3 236.262 0.215 20 0 BCADHN CN(CCC(=O)NCC1COC1)c1ccncc1 ZINC000629202043 360939041 /nfs/dbraw/zinc/93/90/41/360939041.db2.gz IELXUWRUAXJLLQ-UHFFFAOYSA-N 0 3 249.314 0.671 20 0 BCADHN CCCN(C)CC(=O)NCC1COC1 ZINC000629201485 360942739 /nfs/dbraw/zinc/94/27/39/360942739.db2.gz NKJXMDBAKDXGNV-UHFFFAOYSA-N 0 3 200.282 0.091 20 0 BCADHN COCCCCCNC(=O)C(C)(C)N ZINC000156099709 360948078 /nfs/dbraw/zinc/94/80/78/360948078.db2.gz ZNQKBGFVZLHYPV-UHFFFAOYSA-N 0 3 202.298 0.657 20 0 BCADHN CC[C@H](N)C(=O)NCCCCCOC ZINC000156100195 360948127 /nfs/dbraw/zinc/94/81/27/360948127.db2.gz WXLWUKPVWNFKHG-VIFPVBQESA-N 0 3 202.298 0.657 20 0 BCADHN CCN(CC)CC(=O)N(C)C[C@H]1C[C@@H](O)C1 ZINC000629258009 360979166 /nfs/dbraw/zinc/97/91/66/360979166.db2.gz HWDWCRMCJWRXKT-PHIMTYICSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@H](C(=O)N(C)C[C@H]1C[C@@H](O)C1)N(C)C ZINC000629259532 360980369 /nfs/dbraw/zinc/98/03/69/360980369.db2.gz 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PUJJIJDBFFYSLM-JTQLQIEISA-N 0 3 249.314 0.920 20 0 BCADHN CCO[C@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000629457500 361080244 /nfs/dbraw/zinc/08/02/44/361080244.db2.gz RVMBVQAZAPCTSZ-AXFHLTTASA-N 0 3 226.320 0.622 20 0 BCADHN CN(CCc1cnccn1)C(=O)[C@H]1CCCCN1 ZINC000578987650 366687159 /nfs/dbraw/zinc/68/71/59/366687159.db2.gz BRVZJGNADYKBNY-GFCCVEGCSA-N 0 3 248.330 0.620 20 0 BCADHN NC1(C(=O)N2CCC(c3c[nH]cn3)CC2)CC1 ZINC000353240954 181324285 /nfs/dbraw/zinc/32/42/85/181324285.db2.gz BLWSKWQXMNXGCF-UHFFFAOYSA-N 0 3 234.303 0.607 20 0 BCADHN NC1(C(=O)N2CCC(c3cnc[nH]3)CC2)CC1 ZINC000353240954 181324287 /nfs/dbraw/zinc/32/42/87/181324287.db2.gz BLWSKWQXMNXGCF-UHFFFAOYSA-N 0 3 234.303 0.607 20 0 BCADHN CC[C@H](C(N)=O)N1CCSC[C@@H](C)C1 ZINC000249070664 361141713 /nfs/dbraw/zinc/14/17/13/361141713.db2.gz QJEDOUIZLPFKHP-DTWKUNHWSA-N 0 3 216.350 0.935 20 0 BCADHN O[C@@H](CCNCc1cnc2n1CCC2)C(F)F ZINC000631215016 361154664 /nfs/dbraw/zinc/15/46/64/361154664.db2.gz IAVOQLHYTPREIO-VIFPVBQESA-N 0 3 245.273 0.935 20 0 BCADHN COCCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000066078112 361127043 /nfs/dbraw/zinc/12/70/43/361127043.db2.gz IUCHODOPIQTHKM-VIFPVBQESA-N 0 3 212.293 0.376 20 0 BCADHN NC1(C(=O)NC2CCCC2)CCOCC1 ZINC000149629002 181325359 /nfs/dbraw/zinc/32/53/59/181325359.db2.gz TUZINRNXBWLJAC-UHFFFAOYSA-N 0 3 212.293 0.553 20 0 BCADHN NC1(C(=O)NCCc2cccs2)CC1 ZINC000083833912 181325390 /nfs/dbraw/zinc/32/53/90/181325390.db2.gz MEILFIZYYZEOFJ-UHFFFAOYSA-N 0 3 210.302 0.898 20 0 BCADHN CSC[C@H](C)NC(=O)C[C@H]1CNCCO1 ZINC000158438405 361194870 /nfs/dbraw/zinc/19/48/70/361194870.db2.gz BRMNPBUQRDYXAM-IUCAKERBSA-N 0 3 232.349 0.233 20 0 BCADHN O[C@H](CCNCc1cn[nH]c1)C(F)F ZINC000631216752 361165724 /nfs/dbraw/zinc/16/57/24/361165724.db2.gz RDNTVFHAECRPTA-SSDOTTSWSA-N 0 3 205.208 0.515 20 0 BCADHN NC1(C(=O)NCCCOC[C@@H]2CCOC2)CC1 ZINC000353669927 181326022 /nfs/dbraw/zinc/32/60/22/181326022.db2.gz WZTAIHOGRJXEHN-JTQLQIEISA-N 0 3 242.319 0.037 20 0 BCADHN NC1(C(=O)NCCC[C@H]2CCCC[C@@H]2O)CC1 ZINC000353740195 181326169 /nfs/dbraw/zinc/32/61/69/181326169.db2.gz CHWKESJGFGTRCF-MNOVXSKESA-N 0 3 240.347 0.925 20 0 BCADHN NC1(C(=O)NCCc2ccccc2O)CC1 ZINC000353510283 181326245 /nfs/dbraw/zinc/32/62/45/181326245.db2.gz RTNWCZSHJQKCQE-UHFFFAOYSA-N 0 3 220.272 0.542 20 0 BCADHN C=Cn1cc(CNC[C@]2(O)CCSC2)cn1 ZINC000194352372 361219290 /nfs/dbraw/zinc/21/92/90/361219290.db2.gz YMRSXACKQLZTJE-LLVKDONJSA-N 0 3 239.344 0.941 20 0 BCADHN CN1CCC(n2cc(NC(N)=O)cn2)CC1 ZINC000640446070 361222429 /nfs/dbraw/zinc/22/24/29/361222429.db2.gz IPWQZRNLRCUIRC-UHFFFAOYSA-N 0 3 223.280 0.640 20 0 BCADHN CC(C)OCCNC(=O)[C@H](N)C(C)C ZINC000159135027 361223394 /nfs/dbraw/zinc/22/33/94/361223394.db2.gz FAGZTNPZECPLFQ-SECBINFHSA-N 0 3 202.298 0.511 20 0 BCADHN NC1(C(=O)NC[C@@H](O)Cc2ccccc2)CC1 ZINC000155505004 181326441 /nfs/dbraw/zinc/32/64/41/181326441.db2.gz SAHABDLFUVYXRF-NSHDSACASA-N 0 3 234.299 0.198 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)COC ZINC000066405754 361228826 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ZINC000068103722 370744438 /nfs/dbraw/zinc/74/44/38/370744438.db2.gz GNZFLDWOUNBPTC-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@H](CC)[C@@H](C)O)C1 ZINC000622176895 370749230 /nfs/dbraw/zinc/74/92/30/370749230.db2.gz IIZYWGCKTTYQCN-GRYCIOLGSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](N[C@H]1CN(C)C[C@H]1C)[C@H](O)C(F)(F)F ZINC000631719886 364186860 /nfs/dbraw/zinc/18/68/60/364186860.db2.gz POZIUZRGLNVTRG-XGEHTFHBSA-N 0 3 240.269 0.838 20 0 BCADHN C[C@H](N[C@H]1CN(C)C[C@H]1C)[C@@H](O)C(F)(F)F ZINC000631719885 364187270 /nfs/dbraw/zinc/18/72/70/364187270.db2.gz POZIUZRGLNVTRG-RYPBNFRJSA-N 0 3 240.269 0.838 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](F)[C@@H](F)C1)N(C)C ZINC000452688789 202634461 /nfs/dbraw/zinc/63/44/61/202634461.db2.gz UCTNCRPTJCQDGQ-HRDYMLBCSA-N 0 3 220.263 0.845 20 0 BCADHN Cc1nocc1C(=O)NC1CCN(C)CC1 ZINC000630563678 364262292 /nfs/dbraw/zinc/26/22/92/364262292.db2.gz OKEUGTGLRHCOJR-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN COC[C@@H](N)Cc1cn(C(C)(C)C(C)=O)nn1 ZINC000630606195 364337696 /nfs/dbraw/zinc/33/76/96/364337696.db2.gz GXLGLKVWFLUOOB-VIFPVBQESA-N 0 3 240.307 0.118 20 0 BCADHN COC[C@H](N)Cc1cn(C(C)(C)C(C)=O)nn1 ZINC000630606194 364338098 /nfs/dbraw/zinc/33/80/98/364338098.db2.gz GXLGLKVWFLUOOB-SECBINFHSA-N 0 3 240.307 0.118 20 0 BCADHN COC[C@@H](N)Cc1cn(-c2ccc(O)cc2)nn1 ZINC000630586991 364294087 /nfs/dbraw/zinc/29/40/87/364294087.db2.gz UCUKGBMFTFGYBO-VIFPVBQESA-N 0 3 248.286 0.489 20 0 BCADHN CC(C)(C)n1cc(Cn2cc(CN)cn2)nn1 ZINC000630590264 364300347 /nfs/dbraw/zinc/30/03/47/364300347.db2.gz AXVBTECZFNTKOW-UHFFFAOYSA-N 0 3 234.307 0.737 20 0 BCADHN COC[C@@H](N)Cc1cn(CC(C)(C)C)nn1 ZINC000630591965 364305837 /nfs/dbraw/zinc/30/58/37/364305837.db2.gz WQROCXRAKWVZES-VIFPVBQESA-N 0 3 226.324 0.840 20 0 BCADHN COC[C@H](N)Cc1cn(CC(C)(C)C)nn1 ZINC000630591964 364306319 /nfs/dbraw/zinc/30/63/19/364306319.db2.gz WQROCXRAKWVZES-SECBINFHSA-N 0 3 226.324 0.840 20 0 BCADHN COC[C@H](N)Cc1cn(CC2CC2)nn1 ZINC000630594659 364308167 /nfs/dbraw/zinc/30/81/67/364308167.db2.gz GSIWSAMFZDHBCS-SECBINFHSA-N 0 3 210.281 0.204 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CCCOC1 ZINC000170813440 364342519 /nfs/dbraw/zinc/34/25/19/364342519.db2.gz GJDDRMBDVCQPHY-JTQLQIEISA-N 0 3 214.309 0.481 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2ccon2)nn1 ZINC000630598046 364313297 /nfs/dbraw/zinc/31/32/97/364313297.db2.gz JNTKDZURIFBYPR-SNVBAGLBSA-N 0 3 221.264 0.898 20 0 BCADHN CN(C)CCc1cn(CCOC2CCC2)nn1 ZINC000630601758 364317465 /nfs/dbraw/zinc/31/74/65/364317465.db2.gz OGIFVRMMHRXPJD-UHFFFAOYSA-N 0 3 238.335 0.951 20 0 BCADHN COC[C@@H](N)Cc1cn(-c2ncccc2C)nn1 ZINC000630599471 364317767 /nfs/dbraw/zinc/31/77/67/364317767.db2.gz SLVNXFMLBMFMAR-JTQLQIEISA-N 0 3 247.302 0.487 20 0 BCADHN COC(C)(C)c1cn(C[C@H]2CNCCO2)nn1 ZINC000630617802 364353426 /nfs/dbraw/zinc/35/34/26/364353426.db2.gz WZNJSYPOQDSHRJ-SECBINFHSA-N 0 3 240.307 0.148 20 0 BCADHN C/C=C\c1cn(C[C@H]2CNCCO2)nn1 ZINC000630616956 364354604 /nfs/dbraw/zinc/35/46/04/364354604.db2.gz OXKRPYRAZKUJLF-MXQLGCADSA-N 0 3 208.265 0.300 20 0 BCADHN c1cnn(Cc2cn(CCN3CCCC3)nn2)c1 ZINC000630618295 364354630 /nfs/dbraw/zinc/35/46/30/364354630.db2.gz UGRNBXQDWZBACM-UHFFFAOYSA-N 0 3 246.318 0.619 20 0 BCADHN c1c(CN2CCCC2)nnn1CCN1CCCC1 ZINC000630617994 364360688 /nfs/dbraw/zinc/36/06/88/364360688.db2.gz IOIWSRNONNTXBI-UHFFFAOYSA-N 0 3 249.362 0.970 20 0 BCADHN C[C@H](N[C@H]1CCO[C@@H]1C)C(=O)N(C)C ZINC000133978410 364380213 /nfs/dbraw/zinc/38/02/13/364380213.db2.gz FQVKNLPNCCZKJU-YIZRAAEISA-N 0 3 200.282 0.230 20 0 BCADHN CC(C)OC[C@H](O)CN(C)[C@@H](C)CO ZINC000135515246 364443271 /nfs/dbraw/zinc/44/32/71/364443271.db2.gz ALYLOLRYIZLDRO-VHSXEESVSA-N 0 3 205.298 0.085 20 0 BCADHN COC[C@H](O)CCN[C@H](C)c1c[nH]nc1C ZINC000134597634 541358381 /nfs/dbraw/zinc/35/83/81/541358381.db2.gz PGYPFTOGZUJILB-PSASIEDQSA-N 0 3 227.308 0.766 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)N[C@H](C)CC(N)=O ZINC000134583454 541358517 /nfs/dbraw/zinc/35/85/17/541358517.db2.gz AUBUZGKVGYNWSX-RNFRBKRXSA-N 0 3 210.281 0.633 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@]1(O)CCOC1 ZINC000134596432 541358827 /nfs/dbraw/zinc/35/88/27/541358827.db2.gz JMRLDVRGHXQLIN-GZMMTYOYSA-N 0 3 225.292 0.520 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000579493323 366831903 /nfs/dbraw/zinc/83/19/03/366831903.db2.gz FSTMNQJVDPVABE-VIFPVBQESA-N 0 3 249.314 0.052 20 0 BCADHN CN(C)CCNC(=O)N[C@H]1CCCOCC1 ZINC000181771582 366847260 /nfs/dbraw/zinc/84/72/60/366847260.db2.gz REPJVOVLZQHCGN-JTQLQIEISA-N 0 3 229.324 0.416 20 0 BCADHN Cc1nocc1C(=O)NC[C@H](C)N(C)C ZINC000630716787 364496679 /nfs/dbraw/zinc/49/66/79/364496679.db2.gz SDYMQKFRBAJUKU-ZETCQYMHSA-N 0 3 211.265 0.663 20 0 BCADHN COc1cccnc1C(=O)NC[C@H](C)N(C)C ZINC000630717518 364497863 /nfs/dbraw/zinc/49/78/63/364497863.db2.gz YIOOUZYZSVCJNA-VIFPVBQESA-N 0 3 237.303 0.770 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2Cc3c[nH]nc3C2)C1 ZINC000615134381 364515314 /nfs/dbraw/zinc/51/53/14/364515314.db2.gz YEIMFJFGYATMHX-SECBINFHSA-N 0 3 234.303 0.594 20 0 BCADHN CN1CC[C@]2(CCN(C(=O)[C@H](O)C3CC3)C2)C1 ZINC000615204030 364625038 /nfs/dbraw/zinc/62/50/38/364625038.db2.gz QHHYFJIJCHFWAD-YPMHNXCESA-N 0 3 238.331 0.312 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ncc[nH]2)C1 ZINC000615185895 364609071 /nfs/dbraw/zinc/60/90/71/364609071.db2.gz LBSIRMLIOCVYDC-IUCAKERBSA-N 0 3 220.276 0.186 20 0 BCADHN CN1CC[C@]2(CCN(C(=O)c3ncc[nH]3)C2)C1 ZINC000615203200 364626052 /nfs/dbraw/zinc/62/60/52/364626052.db2.gz KPXMVIUOOACZPI-LBPRGKRZSA-N 0 3 234.303 0.578 20 0 BCADHN CCC[C@H](OCC)C(=O)N[C@@H](CO)CN(C)C ZINC000627275494 364673846 /nfs/dbraw/zinc/67/38/46/364673846.db2.gz LSWKLBAXNMJYCV-MNOVXSKESA-N 0 3 246.351 0.230 20 0 BCADHN CCN(CC)CC(=O)NCCN1CCCC1=O ZINC000566072880 364713324 /nfs/dbraw/zinc/71/33/24/364713324.db2.gz FRBUTCYRNHSKSS-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN COC(C)(C)CCN[C@@]1(C(N)=O)CCOC1 ZINC000567120924 364722605 /nfs/dbraw/zinc/72/26/05/364722605.db2.gz STBYGCQAQJIUQA-NSHDSACASA-N 0 3 230.308 0.036 20 0 BCADHN COc1ncccc1CN[C@@H](C)[C@@H](C)O ZINC000087128167 364752007 /nfs/dbraw/zinc/75/20/07/364752007.db2.gz XWSLTILAGIZZDI-DTWKUNHWSA-N 0 3 210.277 0.949 20 0 BCADHN CCCN1CC[C@@H](NC(=O)c2ccncn2)C1 ZINC000619902126 364756507 /nfs/dbraw/zinc/75/65/07/364756507.db2.gz AEYZUPNQTIGVMC-SNVBAGLBSA-N 0 3 234.303 0.691 20 0 BCADHN COC(=O)CCCCNC(=O)[C@H](N)C1CCC1 ZINC000568624509 364764664 /nfs/dbraw/zinc/76/46/64/364764664.db2.gz MYSRGUFSJHWVPB-LLVKDONJSA-N 0 3 242.319 0.573 20 0 BCADHN C[C@H](CNCCCN1CCCC1)S(C)(=O)=O ZINC000167725134 364806031 /nfs/dbraw/zinc/80/60/31/364806031.db2.gz URODROJAROORMN-LLVKDONJSA-N 0 3 248.392 0.495 20 0 BCADHN CCc1cc(CNC(=O)[C@H](C)NC)on1 ZINC000573386261 364821820 /nfs/dbraw/zinc/82/18/20/364821820.db2.gz XMIPOHJEUUGJHW-ZETCQYMHSA-N 0 3 211.265 0.461 20 0 BCADHN C[C@@H]1C[C@H](C)N1C[C@H](O)CN1CCN(C)CC1 ZINC000573417359 364826546 /nfs/dbraw/zinc/82/65/46/364826546.db2.gz RZDCYFMXNCJDTJ-FRRDWIJNSA-N 0 3 241.379 0.077 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)[C@H]1CC12CCCC2 ZINC000573475805 364843155 /nfs/dbraw/zinc/84/31/55/364843155.db2.gz BAGMFWLHVLTBDR-WDEREUQCSA-N 0 3 238.331 0.671 20 0 BCADHN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)[C@H]1C[C@H](F)CN1 ZINC000573800028 364911958 /nfs/dbraw/zinc/91/19/58/364911958.db2.gz PQZYLQFHEBMZMK-VPJKUYQRSA-N 0 3 242.294 0.370 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000573799854 364912226 /nfs/dbraw/zinc/91/22/26/364912226.db2.gz GDFFSVXIWZQPIT-SGIHWFKDSA-N 0 3 230.283 0.370 20 0 BCADHN CNC(=O)CN(C)CCCC1CCOCC1 ZINC000573789926 364915134 /nfs/dbraw/zinc/91/51/34/364915134.db2.gz XHCYFDOTXBUDRC-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CO[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000573710656 364899000 /nfs/dbraw/zinc/89/90/00/364899000.db2.gz RECGTDLOUWOMRN-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)CC(F)F)on1 ZINC000573718903 364900779 /nfs/dbraw/zinc/90/07/79/364900779.db2.gz IYGMAFOTRCMNKG-QMMMGPOBSA-N 0 3 247.245 0.836 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000573719417 364900810 /nfs/dbraw/zinc/90/08/10/364900810.db2.gz NSFTZDKQHAOBIV-GMTAPVOTSA-N 0 3 226.320 0.798 20 0 BCADHN O=C(NCCN1CCCC1)c1cccc(=O)[nH]1 ZINC000236399371 541396542 /nfs/dbraw/zinc/39/65/42/541396542.db2.gz BYDRMHLSFQYHSD-UHFFFAOYSA-N 0 3 235.287 0.201 20 0 BCADHN Cn1ccc(CNC[C@H]2CCN(C)C(=O)C2)n1 ZINC000573831796 364926724 /nfs/dbraw/zinc/92/67/24/364926724.db2.gz KFTOJUYERUUZHH-JTQLQIEISA-N 0 3 236.319 0.378 20 0 BCADHN CC[C@@H]1CN(C)CCN1C(=O)c1cnc(C)[nH]1 ZINC000573832981 364927619 /nfs/dbraw/zinc/92/76/19/364927619.db2.gz NHIVRHAOCAWJMM-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN NC(=O)CC1CC[NH+](Cc2ncccc2[O-])CC1 ZINC000573881988 364939044 /nfs/dbraw/zinc/93/90/44/364939044.db2.gz AKVGTHAFAHJCLB-UHFFFAOYSA-N 0 3 249.314 0.875 20 0 BCADHN C[C@@H](NCc1n[nH]c(C(C)(C)C)n1)[C@H](C)O ZINC000573913209 364943103 /nfs/dbraw/zinc/94/31/03/364943103.db2.gz APJGADLLZBOKBP-SFYZADRCSA-N 0 3 226.324 0.961 20 0 BCADHN C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[n-]1)[C@H](C)O ZINC000573913209 364943105 /nfs/dbraw/zinc/94/31/05/364943105.db2.gz APJGADLLZBOKBP-SFYZADRCSA-N 0 3 226.324 0.961 20 0 BCADHN CN1CC[C@H]2CCN(C(=O)Cc3cc[nH]n3)[C@@H]2C1 ZINC000334201878 541412485 /nfs/dbraw/zinc/41/24/85/541412485.db2.gz OOKHTPSNHZVFLW-CMPLNLGQSA-N 0 3 248.330 0.505 20 0 BCADHN CN1CC[C@H]2CCN(C(=O)Cc3ccn[nH]3)[C@@H]2C1 ZINC000334201878 541412490 /nfs/dbraw/zinc/41/24/90/541412490.db2.gz OOKHTPSNHZVFLW-CMPLNLGQSA-N 0 3 248.330 0.505 20 0 BCADHN CO[C@@H](C)C(=O)NC[C@H](C)N1CCCC1 ZINC000168625272 364969559 /nfs/dbraw/zinc/96/95/59/364969559.db2.gz KFCBRIUUBCIWPM-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H](NCCCC(=O)N(C)C)c1ccn(C)n1 ZINC000574099283 364987162 /nfs/dbraw/zinc/98/71/62/364987162.db2.gz XWQGPJSRNCKHTJ-JTQLQIEISA-N 0 3 238.335 0.939 20 0 BCADHN CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccncc1[O-] ZINC000574036531 364973158 /nfs/dbraw/zinc/97/31/58/364973158.db2.gz UHOBHHXJBIIMAT-RKDXNWHRSA-N 0 3 235.287 0.536 20 0 BCADHN Cc1ncc(CNCC2(C)COC2)n1C ZINC000574173784 365004139 /nfs/dbraw/zinc/00/41/39/365004139.db2.gz RIHOLGJXPQZPLK-UHFFFAOYSA-N 0 3 209.293 0.855 20 0 BCADHN CO[C@@H](CN)C(=O)NCCc1ccc(C)nc1 ZINC000574200658 365009496 /nfs/dbraw/zinc/00/94/96/365009496.db2.gz XMPLCUPQROMJJH-NSHDSACASA-N 0 3 237.303 0.022 20 0 BCADHN CO[C@H](CN)C(=O)NCCc1ccc(C)nc1 ZINC000574200657 365009531 /nfs/dbraw/zinc/00/95/31/365009531.db2.gz XMPLCUPQROMJJH-LLVKDONJSA-N 0 3 237.303 0.022 20 0 BCADHN CC(C)[C@H](C(=O)N1CCC[C@H](CO)C1)N(C)C ZINC000152239654 541450715 /nfs/dbraw/zinc/45/07/15/541450715.db2.gz NEYFVEOLADVTCA-NWDGAFQWSA-N 0 3 242.363 0.804 20 0 BCADHN [NH3+]CCN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000037038271 181392081 /nfs/dbraw/zinc/39/20/81/181392081.db2.gz QCWHSDBQTLZKDI-UHFFFAOYSA-N 0 3 249.314 0.109 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@H](O)C1CCCCC1 ZINC000574416984 365059034 /nfs/dbraw/zinc/05/90/34/365059034.db2.gz SNZDWHJFZZQEAC-RWMBFGLXSA-N 0 3 243.347 0.931 20 0 BCADHN COC(=O)CCN(CCO)C[C@H]1CCCO1 ZINC000168855140 365019896 /nfs/dbraw/zinc/01/98/96/365019896.db2.gz NYUZVKNGQBVQPJ-SNVBAGLBSA-N 0 3 231.292 0.023 20 0 BCADHN Cc1cccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000574289801 365031311 /nfs/dbraw/zinc/03/13/11/365031311.db2.gz AJXPSLWNIRKKER-GHMZBOCLSA-N 0 3 246.314 0.138 20 0 BCADHN CC(C(=O)N1CCC[C@H](F)C1)S(C)(=O)=O ZINC000574527333 365083849 /nfs/dbraw/zinc/08/38/49/365083849.db2.gz XJSSFKPHGQCNRM-SFYZADRCSA-N 0 3 237.296 0.380 20 0 BCADHN Cc1ccn(C)c(=O)c1NC(=O)CNC(C)C ZINC000574584936 365097825 /nfs/dbraw/zinc/09/78/25/365097825.db2.gz NIHYDVIWAQXDTA-UHFFFAOYSA-N 0 3 237.303 0.630 20 0 BCADHN COC[C@H]1CCN1C(=O)[C@@H](C(C)C)N(C)C ZINC000574694802 365123726 /nfs/dbraw/zinc/12/37/26/365123726.db2.gz YVGVNVGRSYQPLA-GHMZBOCLSA-N 0 3 228.336 0.820 20 0 BCADHN COC1(CCN[C@]2(C(N)=O)CCOC2)CCC1 ZINC000574701122 365126822 /nfs/dbraw/zinc/12/68/22/365126822.db2.gz QLNRHAGGZAKNLZ-GFCCVEGCSA-N 0 3 242.319 0.180 20 0 BCADHN COC1(CCN[C@@]2(C(N)=O)CCOC2)CCC1 ZINC000574701123 365127216 /nfs/dbraw/zinc/12/72/16/365127216.db2.gz QLNRHAGGZAKNLZ-LBPRGKRZSA-N 0 3 242.319 0.180 20 0 BCADHN C[C@H](O)CCN1CCC[C@H](N2CCNC2=O)C1 ZINC000574513775 365078723 /nfs/dbraw/zinc/07/87/23/365078723.db2.gz AYQLWZIFLCVLSK-QWRGUYRKSA-N 0 3 241.335 0.247 20 0 BCADHN CS(=O)(=O)CCCNC1CSC1 ZINC000379328008 541453622 /nfs/dbraw/zinc/45/36/22/541453622.db2.gz NMGXXNFHUOWGKX-UHFFFAOYSA-N 0 3 209.336 0.126 20 0 BCADHN CC[C@@]1(C)CN(CCC(=O)N(C)C)CCO1 ZINC000442891410 193000839 /nfs/dbraw/zinc/00/08/39/193000839.db2.gz RROXQPXOHUSSDX-LBPRGKRZSA-N 0 3 228.336 0.966 20 0 BCADHN CC[C@H](C(=O)N(C)CCCO)N(CC)CC ZINC000442989254 193009310 /nfs/dbraw/zinc/00/93/10/193009310.db2.gz GFBGTEHPYSHVHU-LLVKDONJSA-N 0 3 230.352 0.948 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N(C)CCCO ZINC000443006061 193010472 /nfs/dbraw/zinc/01/04/72/193010472.db2.gz VXYFKHQLIFMXSA-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN CCC[C@H](C)CN1CC[C@H](S(N)(=O)=O)C1 ZINC000443850292 193031202 /nfs/dbraw/zinc/03/12/02/193031202.db2.gz FWHBXUALHYHNJB-UWVGGRQHSA-N 0 3 234.365 0.785 20 0 BCADHN CC[C@@H](O)CN1CCCC[C@@H]1C(=O)NC ZINC000171648622 365224082 /nfs/dbraw/zinc/22/40/82/365224082.db2.gz LUECEKMFXREJMR-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CNC(=O)CCCC(=O)NC[C@H]1CCCN1C ZINC000444040690 193033430 /nfs/dbraw/zinc/03/34/30/193033430.db2.gz ZAZVTLVFOCCPJH-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN O=C(Nc1ccnc2ccnn21)[C@H]1CCN1 ZINC000444121057 193035719 /nfs/dbraw/zinc/03/57/19/193035719.db2.gz YBRAGLWYXTXTCK-SSDOTTSWSA-N 0 3 217.232 0.030 20 0 BCADHN CCN(CC(=O)NC(=O)NC)CC(C)C ZINC000171343028 365192029 /nfs/dbraw/zinc/19/20/29/365192029.db2.gz FEKSFRPLXVALHL-UHFFFAOYSA-N 0 3 215.297 0.420 20 0 BCADHN CCN(CCNS(=O)(=O)N(C)C)C(C)C ZINC000444177365 193039502 /nfs/dbraw/zinc/03/95/02/193039502.db2.gz VIZCIRYREPDPIH-UHFFFAOYSA-N 0 3 237.369 0.113 20 0 BCADHN CCCNC(=O)NC[C@@H]1CCCN1CCOC ZINC000171896218 365253322 /nfs/dbraw/zinc/25/33/22/365253322.db2.gz WHZMCNMVLQGUBT-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN 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/nfs/dbraw/zinc/48/00/84/541480084.db2.gz GBSFAHGQVGHOHW-NSHDSACASA-N 0 3 248.330 0.695 20 0 BCADHN CCOC(=O)C[C@@H](C)CNC(=O)CNC1CC1 ZINC000182855152 366951711 /nfs/dbraw/zinc/95/17/11/366951711.db2.gz XNNARURTXWZWMP-SECBINFHSA-N 0 3 242.319 0.444 20 0 BCADHN CC(=O)NCCCN[C@H](C)c1c[nH]nc1C ZINC000180036459 541506213 /nfs/dbraw/zinc/50/62/13/541506213.db2.gz WKBAWEKCAMOASI-MRVPVSSYSA-N 0 3 224.308 0.895 20 0 BCADHN CC[C@@H](N)C(=O)Nc1nc2cccnc2[nH]1 ZINC000579708409 366986933 /nfs/dbraw/zinc/98/69/33/366986933.db2.gz GYDJNJDWOKATEH-ZCFIWIBFSA-N 0 3 219.248 0.634 20 0 BCADHN COC(=O)[C@H](NC(=O)[C@H](C)N)C1CCCCC1 ZINC000564990664 325841711 /nfs/dbraw/zinc/84/17/11/325841711.db2.gz WWTPYQZMTPMGBY-WCBMZHEXSA-N 0 3 242.319 0.572 20 0 BCADHN C[NH+](C)CCCNC(=O)c1cccc2nn[n-]c21 ZINC000183297056 367011938 /nfs/dbraw/zinc/01/19/38/367011938.db2.gz RSGRJAOYMDRCDH-UHFFFAOYSA-N 0 3 247.302 0.639 20 0 BCADHN C[NH+](C)CCCNC(=O)c1cccc2[n-]nnc21 ZINC000183297056 367011946 /nfs/dbraw/zinc/01/19/46/367011946.db2.gz RSGRJAOYMDRCDH-UHFFFAOYSA-N 0 3 247.302 0.639 20 0 BCADHN C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000579830223 367036442 /nfs/dbraw/zinc/03/64/42/367036442.db2.gz QVQDTXVLLJYQPB-DTWKUNHWSA-N 0 3 235.287 0.401 20 0 BCADHN C[C@@H](CNC(=O)C(C)(C)N)N1CCCCC1=O ZINC000579834683 367037934 /nfs/dbraw/zinc/03/79/34/367037934.db2.gz LGXNJOLOJDSUHX-VIFPVBQESA-N 0 3 241.335 0.241 20 0 BCADHN O=C(CNC1CC1)NCCOCC1CCC1 ZINC000579841102 367042147 /nfs/dbraw/zinc/04/21/47/367042147.db2.gz QWOPUHKFRLIAHY-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC(O)(CC)CC1 ZINC000579851598 367050229 /nfs/dbraw/zinc/05/02/29/367050229.db2.gz JJJXENGWUACOIH-SECBINFHSA-N 0 3 214.309 0.487 20 0 BCADHN CN(C)[C@H]1CN(C(=O)C2=CCCCC2)C[C@@H]1O ZINC000579858009 367054271 /nfs/dbraw/zinc/05/42/71/367054271.db2.gz OLDUEYRADLIBEY-RYUDHWBXSA-N 0 3 238.331 0.620 20 0 BCADHN C[C@H](NC(=O)N1CCN(C)C[C@@H]1CN)C1CC1 ZINC000580762698 367066674 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/nfs/dbraw/zinc/09/76/68/367097668.db2.gz JJPTXEGYBBTCOP-GMTAPVOTSA-N 0 3 229.320 0.947 20 0 BCADHN CN1CCC(NC(=O)c2ccsn2)CC1 ZINC000622285560 370822935 /nfs/dbraw/zinc/82/29/35/370822935.db2.gz VGBQGKFAKQXWCX-UHFFFAOYSA-N 0 3 225.317 0.967 20 0 BCADHN CC[C@H](O)CC(=O)NC1CCN(CC)CC1 ZINC000622285571 370823079 /nfs/dbraw/zinc/82/30/79/370823079.db2.gz VRLBGMNVPKQXBN-NSHDSACASA-N 0 3 228.336 0.748 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000580844376 367187312 /nfs/dbraw/zinc/18/73/12/367187312.db2.gz OXVJIWXYXKADBU-QMMMGPOBSA-N 0 3 235.287 0.640 20 0 BCADHN Cc1nnccc1C(=O)N(CCN(C)C)C1CC1 ZINC000580971226 367222630 /nfs/dbraw/zinc/22/26/30/367222630.db2.gz QIXLPZWOTFFRTG-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN CN(CCNC(=O)Cc1ccn(C)n1)C1CC1 ZINC000580913085 367205172 /nfs/dbraw/zinc/20/51/72/367205172.db2.gz GRXGTZPFBNZLER-UHFFFAOYSA-N 0 3 236.319 0.173 20 0 BCADHN CCC1(O)CCN(C(=O)C(C)(C)N)CC1 ZINC000581138381 367274990 /nfs/dbraw/zinc/27/49/90/367274990.db2.gz INEHLSZJJSNXGL-UHFFFAOYSA-N 0 3 214.309 0.487 20 0 BCADHN CCCCC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000581062575 367249904 /nfs/dbraw/zinc/24/99/04/367249904.db2.gz JILAWMOSNACJRT-SNVBAGLBSA-N 0 3 243.351 0.359 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2C[C@H](O)C3(CC3)C2)C1 ZINC000581081301 367258413 /nfs/dbraw/zinc/25/84/13/367258413.db2.gz HTSZZSQTSNYTKP-MNOVXSKESA-N 0 3 238.331 0.312 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)[C@H](N)C(C)C ZINC000381043935 367341271 /nfs/dbraw/zinc/34/12/71/367341271.db2.gz CUVHWXBVPGZJLP-KXUCPTDWSA-N 0 3 216.325 0.493 20 0 BCADHN CNC(=O)C[C@H](C)NCc1cnc(C)n1C ZINC000581321667 367348923 /nfs/dbraw/zinc/34/89/23/367348923.db2.gz UREVUJIOUTVCBP-QMMMGPOBSA-N 0 3 224.308 0.343 20 0 BCADHN COCCN(C)C[C@@H](O)Cn1cc(Cl)cn1 ZINC000381207668 367364467 /nfs/dbraw/zinc/36/44/67/367364467.db2.gz DBXREWPILXWYAG-SNVBAGLBSA-N 0 3 247.726 0.476 20 0 BCADHN CC(=O)[C@](C)(O)CN[C@@H]1C[C@H](O)C1(C)C ZINC000581437879 367471002 /nfs/dbraw/zinc/47/10/02/367471002.db2.gz ZTCWFMQXSYWZPW-WCABBAIRSA-N 0 3 215.293 0.075 20 0 BCADHN COCC[C@H](CO)NC[C@](C)(O)C(F)(F)F ZINC000381594457 367433909 /nfs/dbraw/zinc/43/39/09/367433909.db2.gz FBRSGXYHQOTQNG-SFYZADRCSA-N 0 3 245.241 0.287 20 0 BCADHN COCC[C@@H](CO)NC[C@](C)(O)C(F)(F)F ZINC000381594458 367434889 /nfs/dbraw/zinc/43/48/89/367434889.db2.gz FBRSGXYHQOTQNG-YUMQZZPRSA-N 0 3 245.241 0.287 20 0 BCADHN FC(F)[C@@H]1CNCCN1C[C@H]1CCOC1 ZINC000381632152 367441303 /nfs/dbraw/zinc/44/13/03/367441303.db2.gz RKLKJEAVXLZPNK-BDAKNGLRSA-N 0 3 220.263 0.562 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCNC(C)(C)C1 ZINC000381767366 367455329 /nfs/dbraw/zinc/45/53/29/367455329.db2.gz VLBBXNFOQOBUKZ-WAYWQWQTSA-N 0 3 225.336 0.315 20 0 BCADHN CN(Cc1noc(CN)n1)C[C@H]1CCCN1C ZINC000382880600 367565384 /nfs/dbraw/zinc/56/53/84/367565384.db2.gz NBXMPJKMDJMNDP-SECBINFHSA-N 0 3 239.323 0.054 20 0 BCADHN COC[C@](C)(O)CNCc1cccc(OC)n1 ZINC000382532684 367533362 /nfs/dbraw/zinc/53/33/62/367533362.db2.gz AVTNBHZYWFGJTN-GFCCVEGCSA-N 0 3 240.303 0.577 20 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ZINC000382915539 367567344 /nfs/dbraw/zinc/56/73/44/367567344.db2.gz AXEXUPZLBGVCII-CABZTGNLSA-N 0 3 226.320 0.812 20 0 BCADHN C[C@](O)(CN[C@@H]1C=C[C@H](CO)C1)C(F)(F)F ZINC000581489189 367519929 /nfs/dbraw/zinc/51/99/29/367519929.db2.gz PBXPIQJMAYQAKQ-YIZRAAEISA-N 0 3 239.237 0.826 20 0 BCADHN COCC[C@@H](C)NC(=O)[C@@H](C)NC1CC1 ZINC000382940091 367571076 /nfs/dbraw/zinc/57/10/76/367571076.db2.gz IKRNGKCBBCXITR-RKDXNWHRSA-N 0 3 214.309 0.668 20 0 BCADHN CCCNC(=O)CN(C)[C@@H](C)C(C)(C)O ZINC000382945486 367571718 /nfs/dbraw/zinc/57/17/18/367571718.db2.gz KIPGLQINGOQCPQ-VIFPVBQESA-N 0 3 216.325 0.604 20 0 BCADHN COC1CCN(C(=O)[C@H](C)NC2CC2)CC1 ZINC000382932419 367568283 /nfs/dbraw/zinc/56/82/83/367568283.db2.gz GEBXIBMIOZLQNB-VIFPVBQESA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCc1ncc[nH]1 ZINC000382932473 367568516 /nfs/dbraw/zinc/56/85/16/367568516.db2.gz GFJKPSRGTNNXQK-ZETCQYMHSA-N 0 3 208.265 0.166 20 0 BCADHN COc1cnccc1[C@H](C)NC(=O)CN ZINC000581549189 367577904 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368824092 /nfs/dbraw/zinc/82/40/92/368824092.db2.gz AMVWEFRRIVIMNS-LLVKDONJSA-N 0 3 230.352 0.851 20 0 BCADHN CCCN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000074288855 368835547 /nfs/dbraw/zinc/83/55/47/368835547.db2.gz ATHTUIVRDKPLOU-SECBINFHSA-N 0 3 220.338 0.397 20 0 BCADHN C[C@@H](CCO)CNC[C@H](O)C(F)(F)F ZINC000085130349 368861722 /nfs/dbraw/zinc/86/17/22/368861722.db2.gz SNILQOJSBSODMP-BQBZGAKWSA-N 0 3 215.215 0.518 20 0 BCADHN Cc1cc(NC(=O)C[C@@H]2CSCCN2)n[nH]1 ZINC000085614462 368866660 /nfs/dbraw/zinc/86/66/60/368866660.db2.gz BVQVXYQXGCSWAB-MRVPVSSYSA-N 0 3 240.332 0.752 20 0 BCADHN COCc1noc(C[C@@H]2CSCCN2)n1 ZINC000085610386 368867174 /nfs/dbraw/zinc/86/71/74/368867174.db2.gz HBXIXBCAUCVBLE-SSDOTTSWSA-N 0 3 229.305 0.464 20 0 BCADHN Cc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c([O-])c1 ZINC000090321615 368977399 /nfs/dbraw/zinc/97/73/99/368977399.db2.gz LVVOXZUNQCFLLL-PHIMTYICSA-N 0 3 246.310 0.992 20 0 BCADHN COCC[C@H](C)N1CCOC[C@@H](O)C1 ZINC000399921360 368927693 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ZINC000622668567 371048997 /nfs/dbraw/zinc/04/89/97/371048997.db2.gz UHVHBQZGOITBKH-LBPRGKRZSA-N 0 3 240.347 0.605 20 0 BCADHN CCN1CCN(C[C@H](O)COC(C)C)C[C@@H]1C ZINC000070073148 371008136 /nfs/dbraw/zinc/00/81/36/371008136.db2.gz NPGLDURBODNWFW-STQMWFEESA-N 0 3 244.379 0.798 20 0 BCADHN CC[C@@H](C(=O)NC1(CCO)CC1)N(C)C ZINC000622615971 371018147 /nfs/dbraw/zinc/01/81/47/371018147.db2.gz IWDCRBJTFXBYSK-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN CN1CCC(C(=O)N[C@H]2COCC2(C)C)CC1 ZINC000622656582 371043369 /nfs/dbraw/zinc/04/33/69/371043369.db2.gz GUPKSBZFYODCTC-NSHDSACASA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)N1CC[C@H](N(C)C(=O)c2c[nH]cn2)C1 ZINC000622677229 371054036 /nfs/dbraw/zinc/05/40/36/371054036.db2.gz WSUATRAZEMIHBY-JTQLQIEISA-N 0 3 236.319 0.964 20 0 BCADHN CCC1CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000622682484 371059765 /nfs/dbraw/zinc/05/97/65/371059765.db2.gz AQHQECRKRLYENI-ZETCQYMHSA-N 0 3 219.306 0.288 20 0 BCADHN CCN(CC)CC(=O)NCCc1cn(C)cn1 ZINC000622686066 371063899 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APLUBRTYWWDTNE-QMMMGPOBSA-N 0 3 244.302 0.600 20 0 BCADHN CC1CCC(CNc2nc(N)nc(N)n2)CC1 ZINC000623885514 371140342 /nfs/dbraw/zinc/14/03/42/371140342.db2.gz AENTZZBMFRBYFU-UHFFFAOYSA-N 0 3 236.323 0.357 20 0 BCADHN CC(C)CCC[C@H](C)Nc1nc(N)nc(N)n1 ZINC000623889411 371141282 /nfs/dbraw/zinc/14/12/82/371141282.db2.gz MWCARUYOSVPYIR-QMMMGPOBSA-N 0 3 238.339 0.745 20 0 BCADHN CNC(=O)CCCN1CCN(C2CC2)CC1 ZINC000568950578 326383470 /nfs/dbraw/zinc/38/34/70/326383470.db2.gz CWBZFKHXVQVVMA-UHFFFAOYSA-N 0 3 225.336 0.293 20 0 BCADHN O[C@H]1CCN(CCNCc2ccc(F)cc2)C1 ZINC000623836106 371120243 /nfs/dbraw/zinc/12/02/43/371120243.db2.gz LKMSXQWUEXPCPX-ZDUSSCGKSA-N 0 3 238.306 0.982 20 0 BCADHN Cc1ccoc1CNCCN1CC[C@H](O)C1 ZINC000623837744 371121347 /nfs/dbraw/zinc/12/13/47/371121347.db2.gz RXCNGXOAMLGDBQ-NSHDSACASA-N 0 3 224.304 0.744 20 0 BCADHN Cc1cc(CNCCN2CC[C@H](O)C2)ccn1 ZINC000623839341 371122572 /nfs/dbraw/zinc/12/25/72/371122572.db2.gz UZMBPBHDSSBSJZ-ZDUSSCGKSA-N 0 3 235.331 0.546 20 0 BCADHN 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C[C@@H]1CC[C@H](Nc2nc(N)nc(N)n2)[C@@H](C)C1 ZINC000623970472 371206102 /nfs/dbraw/zinc/20/61/02/371206102.db2.gz PDUUQQCMUPLILK-CSMHCCOUSA-N 0 3 236.323 0.355 20 0 BCADHN C[C@@H]1CC[C@@H](Nc2nc(N)nc(N)n2)[C@H](C)C1 ZINC000623970471 371206638 /nfs/dbraw/zinc/20/66/38/371206638.db2.gz PDUUQQCMUPLILK-BWZBUEFSSA-N 0 3 236.323 0.355 20 0 BCADHN COC1CC(C(=O)NC[C@@H](C)N(C)C)C1 ZINC000623975656 371208854 /nfs/dbraw/zinc/20/88/54/371208854.db2.gz LXDUDEJDYSZADH-XNWIYYODSA-N 0 3 214.309 0.478 20 0 BCADHN COC[C@H](CO)N[C@H](C)[C@@H]1CCCCO1 ZINC000623975848 371209027 /nfs/dbraw/zinc/20/90/27/371209027.db2.gz RFUBHTICCIAYFE-VWYCJHECSA-N 0 3 217.309 0.541 20 0 BCADHN COC[C@H](CO)N[C@@H](C)[C@H]1CCCCO1 ZINC000623975846 371209272 /nfs/dbraw/zinc/20/92/72/371209272.db2.gz RFUBHTICCIAYFE-GARJFASQSA-N 0 3 217.309 0.541 20 0 BCADHN C[C@H](CNC(=O)c1ccnc2ccnn21)N(C)C ZINC000623975955 371210306 /nfs/dbraw/zinc/21/03/06/371210306.db2.gz UQVIUPOFIMYUNB-SECBINFHSA-N 0 3 247.302 0.409 20 0 BCADHN C[C@@H](CNC(=O)c1ccnc2ccnn21)N(C)C ZINC000623975956 371210485 /nfs/dbraw/zinc/21/04/85/371210485.db2.gz UQVIUPOFIMYUNB-VIFPVBQESA-N 0 3 247.302 0.409 20 0 BCADHN C[C@@H](CCC(C)(C)C)Nc1nc(N)nc(N)n1 ZINC000623982451 371215454 /nfs/dbraw/zinc/21/54/54/371215454.db2.gz UPOCKWPERKKEOK-ZETCQYMHSA-N 0 3 238.339 0.745 20 0 BCADHN CCn1nncc1CN[C@H](C)CCCCO ZINC000624026789 371257901 /nfs/dbraw/zinc/25/79/01/371257901.db2.gz WFQPJBYNRUHXSC-SNVBAGLBSA-N 0 3 226.324 0.939 20 0 BCADHN CC[C@H](C)C[C@@H](C)Nc1nc(N)nc(N)n1 ZINC000624001473 371231129 /nfs/dbraw/zinc/23/11/29/371231129.db2.gz CFNMJVVUGZWGMS-NKWVEPMBSA-N 0 3 224.312 0.355 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H](C)[C@@H]1CCCCO1 ZINC000623999931 371231732 /nfs/dbraw/zinc/23/17/32/371231732.db2.gz IBVUPICCSAIZFZ-FIQHERPVSA-N 0 3 229.320 0.947 20 0 BCADHN C[C@@H]1CN(c2nc(N)nc(N)n2)C[C@H](C)S1 ZINC000624003056 371238726 /nfs/dbraw/zinc/23/87/26/371238726.db2.gz NDVOOVCDXBLYIK-OLQVQODUSA-N 0 3 240.336 0.027 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H](C)[C@@H]1CCCCO1 ZINC000624005982 371242298 /nfs/dbraw/zinc/24/22/98/371242298.db2.gz IBVUPICCSAIZFZ-WISYIIOYSA-N 0 3 229.320 0.947 20 0 BCADHN Cc1cccc(CN(C)c2nc(N)nc(N)n2)n1 ZINC000624026343 371256872 /nfs/dbraw/zinc/25/68/72/371256872.db2.gz OAQUWYSFJQCVOU-UHFFFAOYSA-N 0 3 245.290 0.037 20 0 BCADHN C[C@H]1CCN(c2nc(N)nc(N)n2)C[C@@H](C)C1 ZINC000624058759 371284484 /nfs/dbraw/zinc/28/44/84/371284484.db2.gz DBIRDCZVBXKCNB-YUMQZZPRSA-N 0 3 236.323 0.569 20 0 BCADHN C[C@@H]1C[C@H](C)CCN(c2nc(N)nc(N)n2)C1 ZINC000624058756 371285159 /nfs/dbraw/zinc/28/51/59/371285159.db2.gz DBIRDCZVBXKCNB-HTQZYQBOSA-N 0 3 236.323 0.569 20 0 BCADHN N[C@H](CC(F)F)C(=O)NCCOCC1CC1 ZINC000336671167 181613123 /nfs/dbraw/zinc/61/31/23/181613123.db2.gz SAVMYQKKGDDICL-MRVPVSSYSA-N 0 3 236.262 0.512 20 0 BCADHN CC1(C)CC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000624078258 371293751 /nfs/dbraw/zinc/29/37/51/371293751.db2.gz AROMGQSKNROXLK-LURJTMIESA-N 0 3 222.296 0.109 20 0 BCADHN C[C@H]1CCN(c2nc(N)nc(N)n2)C[C@H]1C ZINC000624076364 371294451 /nfs/dbraw/zinc/29/44/51/371294451.db2.gz UCPUJMSKYDSEHY-NKWVEPMBSA-N 0 3 222.296 0.179 20 0 BCADHN O=C(CNCc1ccc(=O)[nH]c1)NC1CCCC1 ZINC000631069436 371294578 /nfs/dbraw/zinc/29/45/78/371294578.db2.gz RQGXJKDTHIQAPA-UHFFFAOYSA-N 0 3 249.314 0.936 20 0 BCADHN Cc1cc(CNC[C@@H]2CCC(=O)N2)ccn1 ZINC000391156987 371271372 /nfs/dbraw/zinc/27/13/72/371271372.db2.gz ZJGUSIOGDJIHLM-NSHDSACASA-N 0 3 219.288 0.758 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N1c1nc(N)nc(N)n1 ZINC000624082439 371298212 /nfs/dbraw/zinc/29/82/12/371298212.db2.gz ZSAKLTGZDZVAPS-RNFRBKRXSA-N 0 3 222.296 0.464 20 0 BCADHN Nc1nc(N)nc(N2CC3(C2)CCCCC3)n1 ZINC000624101393 371308056 /nfs/dbraw/zinc/30/80/56/371308056.db2.gz CTKQQEGVGOXVKR-UHFFFAOYSA-N 0 3 234.307 0.467 20 0 BCADHN C[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1cnccn1 ZINC000624130357 371331339 /nfs/dbraw/zinc/33/13/39/371331339.db2.gz LVHSBXRPIDCBTM-IWSPIJDZSA-N 0 3 220.276 0.391 20 0 BCADHN C[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1ccccn1 ZINC000624131065 371331692 /nfs/dbraw/zinc/33/16/92/371331692.db2.gz FNKCYHJOVBPKIU-OPRDCNLKSA-N 0 3 219.288 0.996 20 0 BCADHN C[C@H](NC[C@H]1COCCN1C)c1cnccn1 ZINC000624172169 371362998 /nfs/dbraw/zinc/36/29/98/371362998.db2.gz IPBXGSDYPAWHCO-QWRGUYRKSA-N 0 3 236.319 0.458 20 0 BCADHN CC[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1ccn(C)n1 ZINC000624132767 371335175 /nfs/dbraw/zinc/33/51/75/371335175.db2.gz YXMHKHLXEQUBCK-GUBZILKMSA-N 0 3 236.319 0.725 20 0 BCADHN O=C(NCCNCc1cn[nH]c1)c1ccco1 ZINC000624213018 371399857 /nfs/dbraw/zinc/39/98/57/371399857.db2.gz IBRDDDGUCSEIPF-UHFFFAOYSA-N 0 3 234.259 0.522 20 0 BCADHN C[C@@H](NCCN1CC[C@@H](O)C1)c1ccco1 ZINC000624226670 371414334 /nfs/dbraw/zinc/41/43/34/371414334.db2.gz WOEHJHABCLQCHD-GHMZBOCLSA-N 0 3 224.304 0.997 20 0 BCADHN Nc1nc(N)nc(N2CC(C3CCCC3)C2)n1 ZINC000624177613 371369146 /nfs/dbraw/zinc/36/91/46/371369146.db2.gz PVXKVIVHIQGEOD-UHFFFAOYSA-N 0 3 234.307 0.323 20 0 BCADHN CCN(CC1CCC1)c1nc(N)nc(N)n1 ZINC000624177913 371369565 /nfs/dbraw/zinc/36/95/65/371369565.db2.gz GOLYISIKCVUEKC-UHFFFAOYSA-N 0 3 222.296 0.323 20 0 BCADHN Nc1nc(N)nc(NCC2CCC(F)CC2)n1 ZINC000624336420 371486911 /nfs/dbraw/zinc/48/69/11/371486911.db2.gz RACMIWFVQCARQK-UHFFFAOYSA-N 0 3 240.286 0.059 20 0 BCADHN CCC1(CC)CN(c2nc(N)nc(N)n2)C1 ZINC000624245484 371431544 /nfs/dbraw/zinc/43/15/44/371431544.db2.gz GBKLWQQMWTYWBN-UHFFFAOYSA-N 0 3 222.296 0.323 20 0 BCADHN C[C@@H](NCCN1CC[C@H](O)C1)c1ccn(C)n1 ZINC000624340155 371489355 /nfs/dbraw/zinc/48/93/55/371489355.db2.gz ZMFSXXNKAXBCLS-MNOVXSKESA-N 0 3 238.335 0.137 20 0 BCADHN CCC[C@H](C)N1CCO[C@@H](CC(N)=O)C1 ZINC000624253566 371440284 /nfs/dbraw/zinc/44/02/84/371440284.db2.gz AYGLPXZHHANUAS-UWVGGRQHSA-N 0 3 214.309 0.751 20 0 BCADHN Nc1nc(N)nc(N2C[C@H](C3CC3)[C@H]2C2CC2)n1 ZINC000624256739 371442141 /nfs/dbraw/zinc/44/21/41/371442141.db2.gz FQNUBLAIJQIPMY-RKDXNWHRSA-N 0 3 246.318 0.322 20 0 BCADHN CC[C@@H](Nc1nc(N)nc(N)n1)C1CCCC1 ZINC000624260309 371447611 /nfs/dbraw/zinc/44/76/11/371447611.db2.gz JNHWXZZVBKCAQT-MRVPVSSYSA-N 0 3 236.323 0.499 20 0 BCADHN CC1(C2(Nc3nc(N)nc(N)n3)CC2)CC1 ZINC000624260763 371448655 /nfs/dbraw/zinc/44/86/55/371448655.db2.gz ZDILIWDPWYPLOM-UHFFFAOYSA-N 0 3 220.280 0.441 20 0 BCADHN Nc1nc(N)nc(NCC2(C3CCC3)CCC2)n1 ZINC000624267183 371451269 /nfs/dbraw/zinc/45/12/69/371451269.db2.gz DPWFNTXJIDZMEO-UHFFFAOYSA-N 0 3 248.334 0.501 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)NC[C@@H]2CCCN2C)CO1 ZINC000624289434 371459231 /nfs/dbraw/zinc/45/92/31/371459231.db2.gz LLYCNFLTPPAGPU-AXFHLTTASA-N 0 3 241.335 0.557 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@H]2C)o1 ZINC000624414742 371505111 /nfs/dbraw/zinc/50/51/11/371505111.db2.gz AAXNXJHAMJQYLA-DTWKUNHWSA-N 0 3 244.316 0.617 20 0 BCADHN O=C(c1ccccc1[O-])N1CCC[NH2+]CC1 ZINC000022148898 371519340 /nfs/dbraw/zinc/51/93/40/371519340.db2.gz HXOZLQGVZHTLQG-UHFFFAOYSA-N 0 3 220.272 0.828 20 0 BCADHN CN1CCO[C@@H]2CN(CCCF)C[C@@H]21 ZINC000131247735 371576763 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FSJLVBQSIQTCNA-YPMHNXCESA-N 0 3 240.347 0.966 20 0 BCADHN COc1cccnc1C(=O)N(C)CCN(C)C ZINC000631601315 372452631 /nfs/dbraw/zinc/45/26/31/372452631.db2.gz WCMNEJSIDYNENS-UHFFFAOYSA-N 0 3 237.303 0.724 20 0 BCADHN C[C@H](NCCCn1cncn1)c1ccn(C)n1 ZINC000631604921 372454945 /nfs/dbraw/zinc/45/49/45/372454945.db2.gz FUNHVSHUPDUQQK-JTQLQIEISA-N 0 3 234.307 0.753 20 0 BCADHN CCN(CCNC(=O)CN(C)C)C1CC1 ZINC000171198612 372459199 /nfs/dbraw/zinc/45/91/99/372459199.db2.gz JIPAYDPWWASUAU-UHFFFAOYSA-N 0 3 213.325 0.149 20 0 BCADHN COCCN(C)CCNC(=O)NCC(C)(C)C ZINC000171201354 372461209 /nfs/dbraw/zinc/46/12/09/372461209.db2.gz JWYXWUIRFVAMNB-UHFFFAOYSA-N 0 3 245.367 0.910 20 0 BCADHN CCO[C@H]1C[C@@H](N[C@@H]2COC[C@@H]2O)C12CCC2 ZINC000631672659 372498947 /nfs/dbraw/zinc/49/89/47/372498947.db2.gz AMFMGSOMBLHULR-KXNHARMFSA-N 0 3 241.331 0.683 20 0 BCADHN O[C@@H]1COC[C@@H]1N[C@H]1CCN(c2ccccc2)C1 ZINC000631673379 372500720 /nfs/dbraw/zinc/50/07/20/372500720.db2.gz QGFNPGJBEUGAEO-FPMFFAJLSA-N 0 3 248.326 0.615 20 0 BCADHN CC[C@H](N[C@@H]1COC[C@@H]1O)c1ccncc1 ZINC000631675576 372502153 /nfs/dbraw/zinc/50/21/53/372502153.db2.gz VHTPOXMKTLAQBP-TUAOUCFPSA-N 0 3 222.288 0.882 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H](C)[C@H](O)C(F)(F)F ZINC000631717412 372520735 /nfs/dbraw/zinc/52/07/35/372520735.db2.gz JSNDLIDYOQLWMZ-ZDLURKLDSA-N 0 3 228.214 0.152 20 0 BCADHN C[C@@H]1C[C@@H]1CNS(=O)(=O)CCCN(C)C ZINC000631747089 372548286 /nfs/dbraw/zinc/54/82/86/372548286.db2.gz ZANYSTBOWMDUPE-NXEZZACHSA-N 0 3 234.365 0.514 20 0 BCADHN COCC[C@@H](C)NC1CN(c2ccncn2)C1 ZINC000631747088 372548557 /nfs/dbraw/zinc/54/85/57/372548557.db2.gz ZACGRBNCSHUMNQ-SNVBAGLBSA-N 0 3 236.319 0.680 20 0 BCADHN C[C@H](N[C@@H]1COCC[C@H]1O)c1ccncc1 ZINC000631750930 372552791 /nfs/dbraw/zinc/55/27/91/372552791.db2.gz QJONRIRZJWWKOT-MVWJERBFSA-N 0 3 222.288 0.882 20 0 BCADHN C[C@@H](CN1CCCCC1)NC(=O)CN(C)C ZINC000171374427 372563443 /nfs/dbraw/zinc/56/34/43/372563443.db2.gz PUKSOFCTHXSMLA-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN Cc1cc(S(=O)(=O)[N-]C[C@@H](C)[NH3+])sn1 ZINC000631932575 372697110 /nfs/dbraw/zinc/69/71/10/372697110.db2.gz QCDWSEHXEWUTKG-RXMQYKEDSA-N 0 3 235.334 0.077 20 0 BCADHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1cc(C)ns1 ZINC000631940528 372700293 /nfs/dbraw/zinc/70/02/93/372700293.db2.gz ZBIPWJXGFYSIJN-SSDOTTSWSA-N 0 3 249.361 0.467 20 0 BCADHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1cc(C)ns1 ZINC000631952787 372703567 /nfs/dbraw/zinc/70/35/67/372703567.db2.gz SULIHOHUFCNLHO-ZETCQYMHSA-N 0 3 249.361 0.338 20 0 BCADHN [NH3+]CC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631900441 372688378 /nfs/dbraw/zinc/68/83/78/372688378.db2.gz TUTHCUZJZGEEHF-UHFFFAOYSA-N 0 3 240.231 0.454 20 0 BCADHN Cc1nocc1S(=O)(=O)[N-][C@H]1CCC[NH2+]C1 ZINC000631901107 372688676 /nfs/dbraw/zinc/68/86/76/372688676.db2.gz QXPGXFGHOUEQCF-QMMMGPOBSA-N 0 3 245.304 0.013 20 0 BCADHN CC(C)C1(S(=O)(=O)NCCNC2CC2)CC1 ZINC000631903262 372690187 /nfs/dbraw/zinc/69/01/87/372690187.db2.gz DBEBIJUQAVUVCM-UHFFFAOYSA-N 0 3 246.376 0.846 20 0 BCADHN 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ZINC000632368761 372902514 /nfs/dbraw/zinc/90/25/14/372902514.db2.gz JPIVPWRVIDPQFI-ZJUUUORDSA-N 0 3 246.376 0.893 20 0 BCADHN C[C@@H]1CN(S(=O)(=O)CCCN(C)C)[C@H]1C ZINC000632377130 372907000 /nfs/dbraw/zinc/90/70/00/372907000.db2.gz UEKXKUOPTVGARC-ZJUUUORDSA-N 0 3 234.365 0.608 20 0 BCADHN O=C(C[C@@H]1CNCCO1)Nc1cccnc1 ZINC000085618807 182021416 /nfs/dbraw/zinc/02/14/16/182021416.db2.gz IOKBQRGEUHZWQU-SNVBAGLBSA-N 0 3 221.260 0.399 20 0 BCADHN O=C(C[C@@H]1CSCCN1)NCC(F)F ZINC000133582993 182021641 /nfs/dbraw/zinc/02/16/41/182021641.db2.gz XBBCQJGJNZGFFU-ZCFIWIBFSA-N 0 3 224.276 0.463 20 0 BCADHN O=C(C[C@H]1CNCCO1)NCc1ccco1 ZINC000085618687 182030434 /nfs/dbraw/zinc/03/04/34/182030434.db2.gz LCVFGSHBUWXWSH-JTQLQIEISA-N 0 3 224.260 0.274 20 0 BCADHN O=C(C[C@H]1CNCCO1)N1Cc2ccccc2C1 ZINC000091311519 182030795 /nfs/dbraw/zinc/03/07/95/182030795.db2.gz HYOBTXIVKVZZFM-ZDUSSCGKSA-N 0 3 246.310 0.907 20 0 BCADHN O=C(C[C@H]1CNCCO1)NCc1cccnc1 ZINC000091299267 182031343 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ZINC000173261423 373276871 /nfs/dbraw/zinc/27/68/71/373276871.db2.gz DTHOKIFORDUTLQ-NXEZZACHSA-N 0 3 234.365 0.608 20 0 BCADHN CCS(=O)(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000173270807 373277143 /nfs/dbraw/zinc/27/71/43/373277143.db2.gz SADOBHBHBIPGTL-ZJUUUORDSA-N 0 3 234.365 0.751 20 0 BCADHN Cc1sccc1NC(=O)C(=O)N[C@H](C)CN ZINC000633005086 373248786 /nfs/dbraw/zinc/24/87/86/373248786.db2.gz JPUZFWNJVOQCEC-ZCFIWIBFSA-N 0 3 241.316 0.458 20 0 BCADHN C[C@H]1C[C@@H](N(C)S(C)(=O)=O)CCN1C ZINC000173275166 373279050 /nfs/dbraw/zinc/27/90/50/373279050.db2.gz KBOZVMYZFAJDDE-IUCAKERBSA-N 0 3 220.338 0.361 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H](C)C1CC1 ZINC000040460013 373279088 /nfs/dbraw/zinc/27/90/88/373279088.db2.gz IANUOVUVKRVIDL-APPZFPTMSA-N 0 3 216.350 0.982 20 0 BCADHN O=C(NC1CCC(O)CC1)[C@@]1(F)CCNC1 ZINC000305103748 182104342 /nfs/dbraw/zinc/10/43/42/182104342.db2.gz CVLFEPVEAPVSMF-NWGYLPEXSA-N 0 3 230.283 0.108 20 0 BCADHN Cc1conc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000633180346 373327166 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/nfs/dbraw/zinc/14/34/04/182143404.db2.gz YJUDPNXWVCOVPG-SNVBAGLBSA-N 0 3 227.308 0.074 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000633481218 373570811 /nfs/dbraw/zinc/57/08/11/373570811.db2.gz DZYRBVFJBBEJSP-TUAOUCFPSA-N 0 3 240.347 0.605 20 0 BCADHN CN(C)CCn1cc(C(=O)N[C@H]2CC23CC3)cn1 ZINC000633489467 373575438 /nfs/dbraw/zinc/57/54/38/373575438.db2.gz WRXYXDDKLCHTOA-NSHDSACASA-N 0 3 248.330 0.727 20 0 BCADHN CCN(C(=O)CCCCO)[C@@H]1CCN(C)C1 ZINC000633612521 373628028 /nfs/dbraw/zinc/62/80/28/373628028.db2.gz LQQHOMYHNNULND-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN COC[C@@H](C)N1CCC(NC(C)=O)CC1 ZINC000173590366 373684279 /nfs/dbraw/zinc/68/42/79/373684279.db2.gz ZWCIITQPDFCFFS-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN CCC[C@H](CCO)NC(=O)CN(CC)CC ZINC000633825518 373776825 /nfs/dbraw/zinc/77/68/25/373776825.db2.gz RYJFHIYNKDGIRM-LLVKDONJSA-N 0 3 230.352 0.996 20 0 BCADHN O=C(NCCCO)[C@@H]1CCCN1C1CCCC1 ZINC000332344080 182170929 /nfs/dbraw/zinc/17/09/29/182170929.db2.gz 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O=C(NCCc1ccccn1)[C@H]1CCCCN1 ZINC000019473852 182206431 /nfs/dbraw/zinc/20/64/31/182206431.db2.gz RHXFXONXRYUDMM-GFCCVEGCSA-N 0 3 233.315 0.882 20 0 BCADHN C[C@@H]1CCN(CC(=O)NC2(C)COC2)C1 ZINC000634191880 374009347 /nfs/dbraw/zinc/00/93/47/374009347.db2.gz SGBQMSVHGKQXOF-SECBINFHSA-N 0 3 212.293 0.233 20 0 BCADHN CCOC[C@H](N[C@H](C)C(N)=O)C(C)C ZINC000189795078 205881338 /nfs/dbraw/zinc/88/13/38/205881338.db2.gz IGIVUVXUNZNWTQ-BDAKNGLRSA-N 0 3 202.298 0.511 20 0 BCADHN N[C@@]1(C(=O)N[C@H]2CCN(C3CC3)C2)CC1(F)F ZINC000634261582 374078375 /nfs/dbraw/zinc/07/83/75/374078375.db2.gz PSLPPQDJCAMPPX-OIBJUYFYSA-N 0 3 245.273 0.076 20 0 BCADHN CCN(CCNC(=O)[C@]1(N)CC1(F)F)C1CC1 ZINC000634262246 374079533 /nfs/dbraw/zinc/07/95/33/374079533.db2.gz CXIPAZGNOHVUSA-SNVBAGLBSA-N 0 3 247.289 0.323 20 0 BCADHN O=C(NCCn1ccnc1)c1[nH]nc2c1CCC2 ZINC000298594720 182216815 /nfs/dbraw/zinc/21/68/15/182216815.db2.gz YVOUOVMCRBRDFY-UHFFFAOYSA-N 0 3 245.286 0.525 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@@]1(N)CC1(F)F ZINC000634249897 374050397 /nfs/dbraw/zinc/05/03/97/374050397.db2.gz NTNPGZMOAGPVAM-SCZZXKLOSA-N 0 3 247.289 0.323 20 0 BCADHN O=C(NC1COC1)[C@H]1CCCN1C1CCCC1 ZINC000634257236 374063412 /nfs/dbraw/zinc/06/34/12/374063412.db2.gz VHRFFOZESVYCDP-GFCCVEGCSA-N 0 3 238.331 0.908 20 0 BCADHN O=C(NC1COC1)[C@@H]1CCCN1C1CCCC1 ZINC000634257238 374063659 /nfs/dbraw/zinc/06/36/59/374063659.db2.gz VHRFFOZESVYCDP-LBPRGKRZSA-N 0 3 238.331 0.908 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000634300851 374125365 /nfs/dbraw/zinc/12/53/65/374125365.db2.gz NAYPPNCTJXLKHB-VXGBXAGGSA-N 0 3 241.379 0.768 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@]2(N)CC2(F)F)CCN1 ZINC000634276330 374088634 /nfs/dbraw/zinc/08/86/34/374088634.db2.gz UEMUEQRVNFOLDK-PSASIEDQSA-N 0 3 247.289 0.179 20 0 BCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc[nH]1 ZINC000362983361 182227366 /nfs/dbraw/zinc/22/73/66/182227366.db2.gz HEKOENKKCHMAIE-GHMZBOCLSA-N 0 3 249.314 0.608 20 0 BCADHN O=C(NC[C@H]1CCCOC1)[C@H]1CCCCN1 ZINC000038046065 182240481 /nfs/dbraw/zinc/24/04/81/182240481.db2.gz JYDBAIAIUBKANC-GHMZBOCLSA-N 0 3 226.320 0.671 20 0 BCADHN NC1(C(=O)N[C@@H]2CCCn3nccc32)CCC1 ZINC000634308732 374152387 /nfs/dbraw/zinc/15/23/87/374152387.db2.gz BNECSRBBWXMMHE-SECBINFHSA-N 0 3 234.303 0.716 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCCn2nccc21 ZINC000634309260 374153165 /nfs/dbraw/zinc/15/31/65/374153165.db2.gz SHFIATKDMWULLL-MWLCHTKSSA-N 0 3 236.319 0.818 20 0 BCADHN O=C(NC[C@H]1CNCCO1)c1ccc(Cl)o1 ZINC000227785605 182246237 /nfs/dbraw/zinc/24/62/37/182246237.db2.gz RCXCNQPEKBWXAO-SSDOTTSWSA-N 0 3 244.678 0.651 20 0 BCADHN O=C(NCc1ccc(=O)[nH]c1)[C@@H]1CCCCN1 ZINC000169176172 182251932 /nfs/dbraw/zinc/25/19/32/182251932.db2.gz RXOCVQJRHMGOCK-JTQLQIEISA-N 0 3 235.287 0.546 20 0 BCADHN O=C(NCc1ccncc1)[C@H]1C[C@H](F)CN1 ZINC000188687025 182265537 /nfs/dbraw/zinc/26/55/37/182265537.db2.gz OBTPCAUNCVYDBA-VHSXEESVSA-N 0 3 223.251 0.398 20 0 BCADHN O=C(NCc1ccco1)[C@H]1CN2CCN1CCC2 ZINC000362078150 182263393 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/nfs/dbraw/zinc/07/31/17/206073117.db2.gz GDYPNJOBUUFNLU-GHMZBOCLSA-N 0 3 241.335 0.416 20 0 BCADHN O=C(N[C@H]1C[C@@H](O)C1)[C@@H](C1CC1)N1CCCC1 ZINC000333981126 182317341 /nfs/dbraw/zinc/31/73/41/182317341.db2.gz CENSDFIARBBERD-GRYCIOLGSA-N 0 3 238.331 0.500 20 0 BCADHN CO[C@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000194688006 206105614 /nfs/dbraw/zinc/10/56/14/206105614.db2.gz XTQPLOJLTCHZBC-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@@H](C(=O)NCCCCO)N(C)C ZINC000194950685 206114272 /nfs/dbraw/zinc/11/42/72/206114272.db2.gz OZRVJLAVOLAJJL-VIFPVBQESA-N 0 3 202.298 0.215 20 0 BCADHN CCn1nncc1CN1CCN(C)[C@H](C)[C@H]1C ZINC000459465660 206128779 /nfs/dbraw/zinc/12/87/79/206128779.db2.gz IYYVBXLAQXISKZ-GHMZBOCLSA-N 0 3 237.351 0.822 20 0 BCADHN CCN1C[C@@H](C)N(C[C@@H](C)O)[C@H](C)C1 ZINC000459462533 206127760 /nfs/dbraw/zinc/12/77/60/206127760.db2.gz MLGREOJDSTXCAB-GMTAPVOTSA-N 0 3 200.326 0.782 20 0 BCADHN Cc1cccc(CNC[C@@H](O)Cn2ccnn2)c1 ZINC000459704977 206138581 /nfs/dbraw/zinc/13/85/81/206138581.db2.gz UHUNZRVADFDLSZ-CYBMUJFWSA-N 0 3 246.314 0.737 20 0 BCADHN O=C(Nc1n[nH]cc1Br)[C@H]1CCN1 ZINC000307600005 182347244 /nfs/dbraw/zinc/34/72/44/182347244.db2.gz RXXLQDZQUOBOCJ-RXMQYKEDSA-N 0 3 245.080 0.473 20 0 BCADHN CC(C)CN(CCO)Cc1cnn(C)c1 ZINC000459591704 206134846 /nfs/dbraw/zinc/13/48/46/206134846.db2.gz LAHHNIZQGOXDPN-UHFFFAOYSA-N 0 3 211.309 0.870 20 0 BCADHN CC(C)CC[C@H](O)CN1C[C@@H](O)[C@H](CO)C1 ZINC000459699007 206137492 /nfs/dbraw/zinc/13/74/92/206137492.db2.gz ZVWHGEBRYJSCIY-SDDRHHMPSA-N 0 3 231.336 0.069 20 0 BCADHN O=C(Nc1ccc2c(c1)CCO2)[C@@H]1C[C@@H](O)CN1 ZINC000037045151 182364143 /nfs/dbraw/zinc/36/41/43/182364143.db2.gz PFMNUFJUSJDTSJ-MNOVXSKESA-N 0 3 248.282 0.283 20 0 BCADHN O=C(Nc1cccc2[nH]cnc21)[C@H]1C[C@H](O)CN1 ZINC000269264577 182372920 /nfs/dbraw/zinc/37/29/20/182372920.db2.gz YDMFEFSVAKVTDF-OIBJUYFYSA-N 0 3 246.270 0.224 20 0 BCADHN O=C(Nc1cnc2c(c1)CNCC2)[C@H]1CCCO1 ZINC000371442938 182391947 /nfs/dbraw/zinc/39/19/47/182391947.db2.gz MLAZCBKEGCLMJF-GFCCVEGCSA-N 0 3 247.298 0.845 20 0 BCADHN O=C(Nc1ccccc1[O-])[C@@H]1C[C@H](O)C[NH2+]1 ZINC000070609687 182381186 /nfs/dbraw/zinc/38/11/86/182381186.db2.gz ORTRCOBYFYLSHQ-CBAPKCEASA-N 0 3 222.244 0.054 20 0 BCADHN O=C(Nc1ccccc1O)[C@@H]1C[C@H](O)CN1 ZINC000070609687 182381189 /nfs/dbraw/zinc/38/11/89/182381189.db2.gz ORTRCOBYFYLSHQ-CBAPKCEASA-N 0 3 222.244 0.054 20 0 BCADHN O=C(Nc1nc2ccccc2[nH]1)[C@@H]1C[C@H](O)CN1 ZINC000360238502 182398229 /nfs/dbraw/zinc/39/82/29/182398229.db2.gz QJAJBTNXBZNIHJ-XVKPBYJWSA-N 0 3 246.270 0.224 20 0 BCADHN CCOC(=O)CCNC(=O)[C@@H](N)C(C)C ZINC000041679941 170207920 /nfs/dbraw/zinc/20/79/20/170207920.db2.gz PMTDAQBIGYAIKR-VIFPVBQESA-N 0 3 216.281 0.039 20 0 BCADHN CCOC(=O)CNC(=O)[C@@H](N)[C@H](C)CC ZINC000011959630 170223811 /nfs/dbraw/zinc/22/38/11/170223811.db2.gz PRCUPKLIWPTUOU-APPZFPTMSA-N 0 3 216.281 0.039 20 0 BCADHN CCOC(=O)N1CCN(C(=O)C(C)(C)N)CC1 ZINC000019672460 170239121 /nfs/dbraw/zinc/23/91/21/170239121.db2.gz BIMMPMXOTCWYRE-UHFFFAOYSA-N 0 3 243.307 0.024 20 0 BCADHN CCOC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)CC ZINC000119228105 170254709 /nfs/dbraw/zinc/25/47/09/170254709.db2.gz CMJGJMUQICJXLK-CIUDSAMLSA-N 0 3 230.308 0.428 20 0 BCADHN O=C1NC[C@H](CN[C@H]2CCO[C@H]2C2CC2)O1 ZINC000365192130 182813669 /nfs/dbraw/zinc/81/36/69/182813669.db2.gz VHMNXMZYEIWKFT-GUBZILKMSA-N 0 3 226.276 0.252 20 0 BCADHN CCOCC(=O)N1CCN(C)CC[C@H]1C ZINC000336601820 170340482 /nfs/dbraw/zinc/34/04/82/170340482.db2.gz BGEGQGHGWGFPBB-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CCOCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000112282075 170341307 /nfs/dbraw/zinc/34/13/07/170341307.db2.gz KLJKHUKBDYLFDL-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN CCOCCCN(CC(N)=O)CC(C)C ZINC000357596792 170371748 /nfs/dbraw/zinc/37/17/48/170371748.db2.gz OTADGAIXDAJDFG-UHFFFAOYSA-N 0 3 216.325 0.856 20 0 BCADHN CCOCCCN1C[C@@H](OC)[C@H](OC)C1 ZINC000336699496 170374397 /nfs/dbraw/zinc/37/43/97/170374397.db2.gz WYOUPDGRZKTFPG-GHMZBOCLSA-N 0 3 217.309 0.759 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@H](O)[C@H](C)C2)CCO1 ZINC000192833638 259590180 /nfs/dbraw/zinc/59/01/80/259590180.db2.gz NLISDXKQTUNWEV-UPJWGTAASA-N 0 3 242.363 0.410 20 0 BCADHN O=c1ncccn1CCN1CCCCC1 ZINC000128284822 183011685 /nfs/dbraw/zinc/01/16/85/183011685.db2.gz OMLFOFRPIBNYON-UHFFFAOYSA-N 0 3 207.277 0.729 20 0 BCADHN OC1CCC(NCc2cncnc2)CC1 ZINC000054766953 183027854 /nfs/dbraw/zinc/02/78/54/183027854.db2.gz RRWOJTAGTSKGLU-UHFFFAOYSA-N 0 3 207.277 0.870 20 0 BCADHN OC1(CCN2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000333363841 183014738 /nfs/dbraw/zinc/01/47/38/183014738.db2.gz HUCXGCHJDNWKAE-LLVKDONJSA-N 0 3 236.319 0.830 20 0 BCADHN OC1(CCN2CCC[C@H](n3ccnn3)C2)CC1 ZINC000333363842 183016217 /nfs/dbraw/zinc/01/62/17/183016217.db2.gz HUCXGCHJDNWKAE-NSHDSACASA-N 0 3 236.319 0.830 20 0 BCADHN OC1(CN2CC3(C2)CCCOC3)CCOCC1 ZINC000367470724 183018241 /nfs/dbraw/zinc/01/82/41/183018241.db2.gz VQDFJTAYRVRZEJ-UHFFFAOYSA-N 0 3 241.331 0.640 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCC(=O)OCC ZINC000041680010 168966755 /nfs/dbraw/zinc/96/67/55/168966755.db2.gz KHLRMZGVKIERML-SECBINFHSA-N 0 3 230.308 0.573 20 0 BCADHN OCC1CCN(CCc2cn[nH]c2)CC1 ZINC000290078043 183041053 /nfs/dbraw/zinc/04/10/53/183041053.db2.gz QMLCIONRADSFEW-UHFFFAOYSA-N 0 3 209.293 0.657 20 0 BCADHN OCCCC1CCN([C@H]2COC[C@@H]2O)CC1 ZINC000361352921 183043862 /nfs/dbraw/zinc/04/38/62/183043862.db2.gz GGRGDRIHSXNQRY-RYUDHWBXSA-N 0 3 229.320 0.231 20 0 BCADHN OCCCCCN1CCC[C@](F)(CO)C1 ZINC000376560508 183044643 /nfs/dbraw/zinc/04/46/43/183044643.db2.gz CNJSEJYXLFAFEE-LLVKDONJSA-N 0 3 219.300 0.945 20 0 BCADHN OCC1(CN2CCC[C@H]3OCC[C@H]32)COC1 ZINC000373605436 183034966 /nfs/dbraw/zinc/03/49/66/183034966.db2.gz XYNNWBOEIPWACE-GHMZBOCLSA-N 0 3 227.304 0.249 20 0 BCADHN OCC1(NCc2ccccn2)CCOCC1 ZINC000069247231 183037912 /nfs/dbraw/zinc/03/79/12/183037912.db2.gz QOPRIZADWUJTQI-UHFFFAOYSA-N 0 3 222.288 0.713 20 0 BCADHN OCCCN1CCC(Oc2cnccn2)CC1 ZINC000365822524 183053856 /nfs/dbraw/zinc/05/38/56/183053856.db2.gz SYORLUIMBBJFFV-UHFFFAOYSA-N 0 3 237.303 0.702 20 0 BCADHN OCCCN1CCCC[C@H]1Cn1ccnn1 ZINC000378618899 183054562 /nfs/dbraw/zinc/05/45/62/183054562.db2.gz DAUTXYIADFDISX-NSHDSACASA-N 0 3 224.308 0.515 20 0 BCADHN OCCCN1CCSC[C@@H]1CCO ZINC000336643177 183057673 /nfs/dbraw/zinc/05/76/73/183057673.db2.gz FQCRYHRKXOZDAX-VIFPVBQESA-N 0 3 205.323 0.169 20 0 BCADHN OCCN(CCO)CCCO[C@@H]1CCCCO1 ZINC000338316564 183066925 /nfs/dbraw/zinc/06/69/25/183066925.db2.gz QDKVVJHCXQOZIC-GFCCVEGCSA-N 0 3 247.335 0.206 20 0 BCADHN OCCN1CCN(CCC2CCOCC2)CC1 ZINC000310554214 183075561 /nfs/dbraw/zinc/07/55/61/183075561.db2.gz HJZBUJYJQBVQTC-UHFFFAOYSA-N 0 3 242.363 0.413 20 0 BCADHN OCCN[C@]1(CO)CCCc2ccccc21 ZINC000281791863 183080833 /nfs/dbraw/zinc/08/08/33/183080833.db2.gz UNYBYVRFCIAUGG-ZDUSSCGKSA-N 0 3 221.300 0.792 20 0 BCADHN OCCOCCN1CCC(n2cccn2)CC1 ZINC000365300623 183081761 /nfs/dbraw/zinc/08/17/61/183081761.db2.gz QSXHJOSMFXZYMW-UHFFFAOYSA-N 0 3 239.319 0.529 20 0 BCADHN OCCOCCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266921499 183082637 /nfs/dbraw/zinc/08/26/37/183082637.db2.gz MDLUBEZYOUWERA-LLVKDONJSA-N 0 3 239.319 0.598 20 0 BCADHN OCCOCCN1CCCO[C@H]2CCC[C@@H]21 ZINC000361125692 183083115 /nfs/dbraw/zinc/08/31/15/183083115.db2.gz MQCRWBRABRDMBK-RYUDHWBXSA-N 0 3 229.320 0.639 20 0 BCADHN OCCOCCCN[C@@H]1CCn2ccnc21 ZINC000345357261 183083294 /nfs/dbraw/zinc/08/32/94/183083294.db2.gz VUGKJMTZWSHPEZ-SNVBAGLBSA-N 0 3 225.292 0.317 20 0 BCADHN OCCOCCN1CCC[C@H]2COC[C@H]21 ZINC000374344408 183084291 /nfs/dbraw/zinc/08/42/91/183084291.db2.gz FAOBQEVJCDAYCL-WDEREUQCSA-N 0 3 215.293 0.106 20 0 BCADHN OCCOCCN1CC[C@H](n2cccn2)C1 ZINC000291783717 183084692 /nfs/dbraw/zinc/08/46/92/183084692.db2.gz MJTZEGHMLJXGEB-NSHDSACASA-N 0 3 225.292 0.139 20 0 BCADHN OCCOCCN[C@@H](CCO)c1ccccc1 ZINC000341219386 183084998 /nfs/dbraw/zinc/08/49/98/183084998.db2.gz LFJDFFHDDRSPSR-ZDUSSCGKSA-N 0 3 239.315 0.709 20 0 BCADHN OCC[C@@H](NC1COC1)C1CCOCC1 ZINC000308873827 183090429 /nfs/dbraw/zinc/09/04/29/183090429.db2.gz LZUNALHXLQXARV-LLVKDONJSA-N 0 3 215.293 0.152 20 0 BCADHN CCCC[C@H](N)C(=O)N(C)Cc1cnn(C)c1 ZINC000037800778 169006114 /nfs/dbraw/zinc/00/61/14/169006114.db2.gz LHTSWCJQRJJSJP-NSHDSACASA-N 0 3 238.335 0.896 20 0 BCADHN CCCC[C@H](N)C(=O)N(C)Cc1nccn1C ZINC000037823028 169006255 /nfs/dbraw/zinc/00/62/55/169006255.db2.gz NRWWDEZTISIDOZ-JTQLQIEISA-N 0 3 238.335 0.896 20 0 BCADHN CCCC[C@H](N)C(=O)NC1CCOCC1 ZINC000037480743 169006402 /nfs/dbraw/zinc/00/64/02/169006402.db2.gz BSELROCRFMXZOG-JTQLQIEISA-N 0 3 214.309 0.799 20 0 BCADHN CCCC[C@H](N)C(=O)Nc1cnn(C)c1 ZINC000037480655 169006941 /nfs/dbraw/zinc/00/69/41/169006941.db2.gz GJKIWCHKLFANKO-VIFPVBQESA-N 0 3 210.281 0.876 20 0 BCADHN CCCC[C@H](N)C(=O)NCCCn1ccnc1 ZINC000037619390 169007625 /nfs/dbraw/zinc/00/76/25/169007625.db2.gz PYENNXVIAFAGJE-NSHDSACASA-N 0 3 238.335 0.907 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@@H](O)[C@H]1CCOC1 ZINC000353661123 169008157 /nfs/dbraw/zinc/00/81/57/169008157.db2.gz FANNQBYSSYIMRJ-GARJFASQSA-N 0 3 244.335 0.018 20 0 BCADHN OC[C@@H](NCCn1cccn1)[C@@H]1CCCO1 ZINC000336719938 183107252 /nfs/dbraw/zinc/10/72/52/183107252.db2.gz YMKKLRSLOQWFCF-MNOVXSKESA-N 0 3 225.292 0.013 20 0 BCADHN OC[C@@H](NCCOCC(F)F)[C@@H]1CCCO1 ZINC000336710088 183107332 /nfs/dbraw/zinc/10/73/32/183107332.db2.gz RMVVHRYRPZMZLE-BDAKNGLRSA-N 0 3 239.262 0.398 20 0 BCADHN OC[C@@H](O)CNc1ccncc1-c1cccnc1 ZINC000376402841 183110951 /nfs/dbraw/zinc/11/09/51/183110951.db2.gz KQODAMKKQJXKEK-NSHDSACASA-N 0 3 245.282 0.331 20 0 BCADHN OC[C@H](NCCOCC1CC1)[C@H]1CCCO1 ZINC000336713458 183139661 /nfs/dbraw/zinc/13/96/61/183139661.db2.gz UHAPIYYQMORMEK-NWDGAFQWSA-N 0 3 229.320 0.543 20 0 BCADHN OC[C@H](N[C@@H]1CCCOC1)[C@@H]1CCCO1 ZINC000336733028 183140932 /nfs/dbraw/zinc/14/09/32/183140932.db2.gz LZGPUOLQUNHKLI-VWYCJHECSA-N 0 3 215.293 0.295 20 0 BCADHN OC[C@H](O)CNC/C=C\c1ccc(F)cc1 ZINC000309654566 183142175 /nfs/dbraw/zinc/14/21/75/183142175.db2.gz VDDHEGRAXUDZAP-UDSFMNFJSA-N 0 3 225.263 0.782 20 0 BCADHN OC[C@H](O)CNCc1ccc2ncccc2c1 ZINC000090282438 183142570 /nfs/dbraw/zinc/14/25/70/183142570.db2.gz OEUDBXMZQPCFCR-GFCCVEGCSA-N 0 3 232.283 0.678 20 0 BCADHN OC[C@H](O)CNC/C=C\c1ccc(F)c(F)c1 ZINC000352698328 183142686 /nfs/dbraw/zinc/14/26/86/183142686.db2.gz QYZULMMIBMPVQK-JWXWKVPASA-N 0 3 243.253 0.921 20 0 BCADHN OC[C@H](O)CNCc1cccc2c[nH]nc21 ZINC000309514856 183142884 /nfs/dbraw/zinc/14/28/84/183142884.db2.gz RAKDCHDIWRCAOH-SNVBAGLBSA-N 0 3 221.260 0.006 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1[C@H]1Cc2ccccc2[C@H]1O ZINC000372166122 183129066 /nfs/dbraw/zinc/12/90/66/183129066.db2.gz CWOKORWXDUSLDN-UZGDPCLZSA-N 0 3 249.310 0.072 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1C[C@@H](O)CC1CCCC1 ZINC000354729368 183129375 /nfs/dbraw/zinc/12/93/75/183129375.db2.gz JEFZDOVFKFYPCR-RWMBFGLXSA-N 0 3 243.347 0.355 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1CCOc1ccccc1 ZINC000186528585 183129478 /nfs/dbraw/zinc/12/94/78/183129478.db2.gz ICLRDNXEACGUON-RYUDHWBXSA-N 0 3 237.299 0.493 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1C[C@@H](O)c1ccccc1 ZINC000248390866 183129519 /nfs/dbraw/zinc/12/95/19/183129519.db2.gz IUYGCLGKLZQKMX-YNEHKIRRSA-N 0 3 237.299 0.148 20 0 BCADHN OC[C@H]1CCCCN1CCN1CCCOCC1 ZINC000361284866 183147783 /nfs/dbraw/zinc/14/77/83/183147783.db2.gz BFFJRRPONSXQEM-CYBMUJFWSA-N 0 3 242.363 0.556 20 0 BCADHN O=C1NCC[C@@H]1N1CCC[C@H](CO)CC1 ZINC000328863428 183150845 /nfs/dbraw/zinc/15/08/45/183150845.db2.gz MHWPGKLTSVKFTG-UWVGGRQHSA-N 0 3 212.293 0.810 20 0 BCADHN OC[C@H]1CCN(Cc2c[nH]c3nccnc23)C1 ZINC000283712405 183153680 /nfs/dbraw/zinc/15/36/80/183153680.db2.gz AIGJPPBMZULTTA-VIFPVBQESA-N 0 3 232.287 0.772 20 0 BCADHN CCCCn1nccc1NC(=O)[C@@H](C)N ZINC000153544425 169039074 /nfs/dbraw/zinc/03/90/74/169039074.db2.gz DNMANBCEJDMGBJ-MRVPVSSYSA-N 0 3 210.281 0.969 20 0 BCADHN OC[C@]1(F)CCN(CCN2CCCCC2)C1 ZINC000338586542 183157446 /nfs/dbraw/zinc/15/74/46/183157446.db2.gz HRMHFCZVJUSCAV-LBPRGKRZSA-N 0 3 230.327 0.879 20 0 BCADHN OC[C@]1(F)CCN(CC[C@@H]2CCOC2)C1 ZINC000338997346 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ZINC000339249163 169336715 /nfs/dbraw/zinc/33/67/15/169336715.db2.gz NOXUBJRDWYWQCG-UHFFFAOYSA-N 0 3 248.392 0.824 20 0 BCADHN CCC[C@@H](C)NC(=O)[C@@H](C)N1CCNCC1 ZINC000034939717 169368338 /nfs/dbraw/zinc/36/83/38/169368338.db2.gz VWKFYHTWPDJAFU-GHMZBOCLSA-N 0 3 227.352 0.585 20 0 BCADHN CCC[C@@H](C(=O)NCc1c[nH]cn1)N(C)C ZINC000330519474 169345158 /nfs/dbraw/zinc/34/51/58/169345158.db2.gz HAPQXIMGOZCYGO-JTQLQIEISA-N 0 3 224.308 0.756 20 0 BCADHN CCC[C@@H](C(=O)NCc1cnc[nH]1)N(C)C ZINC000330519474 169345160 /nfs/dbraw/zinc/34/51/60/169345160.db2.gz HAPQXIMGOZCYGO-JTQLQIEISA-N 0 3 224.308 0.756 20 0 BCADHN CCC[C@@H](C(=O)NC[C@H]1COCCO1)N(C)C ZINC000330521961 169345179 /nfs/dbraw/zinc/34/51/79/169345179.db2.gz RRMSSFPGQDQDND-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCCC[C@H]1C(=O)NC ZINC000037810828 169387615 /nfs/dbraw/zinc/38/76/15/169387615.db2.gz HINLMOSUCXBJJM-ZJUUUORDSA-N 0 3 241.335 0.241 20 0 BCADHN CCC[C@@H](N)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000236928424 169387630 /nfs/dbraw/zinc/38/76/30/169387630.db2.gz HCSLEXQJFGVPLL-PWSUYJOCSA-N 0 3 226.320 0.753 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)Cc1noc(C)n1 ZINC000125528894 169386703 /nfs/dbraw/zinc/38/67/03/169386703.db2.gz KRSHTFAJZOPHKJ-MRVPVSSYSA-N 0 3 226.280 0.464 20 0 BCADHN CCC[C@@H](N)C(=O)NCCc1nccs1 ZINC000063135418 169389172 /nfs/dbraw/zinc/38/91/72/169389172.db2.gz IUZJAQYNCKMPLJ-MRVPVSSYSA-N 0 3 227.333 0.929 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000372983281 169391456 /nfs/dbraw/zinc/39/14/56/169391456.db2.gz UHBGAWBLZPIBQO-VHSXEESVSA-N 0 3 236.319 0.511 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000036999444 169391165 /nfs/dbraw/zinc/39/11/65/169391165.db2.gz DXILIYGNMSSOHU-VHSXEESVSA-N 0 3 224.308 0.515 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCCNC2=O)CCCO1 ZINC000179300723 134319348 /nfs/dbraw/zinc/31/93/48/134319348.db2.gz MXWFDKJUZUZNGC-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1c[nH]cn1 ZINC000179434890 134320776 /nfs/dbraw/zinc/32/07/76/134320776.db2.gz QTAHQRMHXQATBL-DTWKUNHWSA-N 0 3 222.292 0.496 20 0 BCADHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cnc[nH]1 ZINC000179434890 134320777 /nfs/dbraw/zinc/32/07/77/134320777.db2.gz QTAHQRMHXQATBL-DTWKUNHWSA-N 0 3 222.292 0.496 20 0 BCADHN COC[C@H](O)CN1CCC[C@@H](OC)C1 ZINC000179599918 134322539 /nfs/dbraw/zinc/32/25/39/134322539.db2.gz CEOFTDLJVYDPJB-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN CCC[C@@H]1C[C@@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000361719478 169431590 /nfs/dbraw/zinc/43/15/90/169431590.db2.gz UEUSFINEMBJMOZ-WCABBAIRSA-N 0 3 214.284 0.993 20 0 BCADHN CCCC[C@@H](N)C(=O)NC[C@H](C)OC ZINC000223703933 134339064 /nfs/dbraw/zinc/33/90/64/134339064.db2.gz AMGCCGQIIUJYRY-DTWKUNHWSA-N 0 3 202.298 0.655 20 0 BCADHN c1ncn(C2CCN([C@H]3CCOC3)CC2)n1 ZINC000336660663 183547755 /nfs/dbraw/zinc/54/77/55/183547755.db2.gz AWXGVUUTSICYEE-NSHDSACASA-N 0 3 222.292 0.704 20 0 BCADHN CCC[C@@H](C)CN1CCO[C@H](C(=O)NC)C1 ZINC000182477147 134345433 /nfs/dbraw/zinc/34/54/33/134345433.db2.gz IGQDEDZVDQTAAQ-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CCC[C@H]1C[C@@H]1C(=O)NCCN(CC)CCO ZINC000360664454 169531159 /nfs/dbraw/zinc/53/11/59/169531159.db2.gz HSVUGYKTWBNPAO-RYUDHWBXSA-N 0 3 242.363 0.853 20 0 BCADHN CCC[C@](C)(N)C(=O)NC[C@@H]1COCCO1 ZINC000038062338 169546827 /nfs/dbraw/zinc/54/68/27/169546827.db2.gz HRMOANGKHNYGFL-KOLCDFICSA-N 0 3 230.308 0.036 20 0 BCADHN CCC[C@H](N)C(=O)NCCc1nc(C)no1 ZINC000225410080 134353450 /nfs/dbraw/zinc/35/34/50/134353450.db2.gz IBFZKHZEPDFJSM-QMMMGPOBSA-N 0 3 226.280 0.164 20 0 BCADHN CC(C)(C)OCCN[C@@H](CO)[C@@H]1CCCO1 ZINC000309702351 166682142 /nfs/dbraw/zinc/68/21/42/166682142.db2.gz UCFOLQXTADGOOK-QWRGUYRKSA-N 0 3 231.336 0.931 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@H](O)CC(C)(C)C ZINC000225502635 134354093 /nfs/dbraw/zinc/35/40/93/134354093.db2.gz VZOUUNDVTHTYEY-VHSXEESVSA-N 0 3 230.352 0.883 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000225392278 134355142 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/nfs/dbraw/zinc/37/61/80/134376180.db2.gz RXEIFTFDCMUJRB-LBPRGKRZSA-N 0 3 241.335 0.904 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCC[C@H](O)C1 ZINC000227126699 134376222 /nfs/dbraw/zinc/37/62/22/134376222.db2.gz MPGMDLIOGWQTMB-KOLCDFICSA-N 0 3 224.308 0.456 20 0 BCADHN CO[C@@H](CN)C(=O)NCCCC(F)(F)F ZINC000227396455 134379015 /nfs/dbraw/zinc/37/90/15/134379015.db2.gz YICUMHSTSXXUQA-LURJTMIESA-N 0 3 228.214 0.419 20 0 BCADHN Cc1ncc2c(n1)CC[C@H](NC(=O)[C@@H](C)N)C2 ZINC000566193824 383823832 /nfs/dbraw/zinc/82/38/32/383823832.db2.gz QPKLRUMYQZHAAT-XCBNKYQSSA-N 0 3 234.303 0.106 20 0 BCADHN OC[C@@H]1CCN(CCN2CCCCC2)C[C@H]1O ZINC000558168038 383825649 /nfs/dbraw/zinc/82/56/49/383825649.db2.gz ZFDAOBUNUFCHDF-QWHCGFSZSA-N 0 3 242.363 0.147 20 0 BCADHN C[C@@H](O)CNC(=O)NC1CCN(C2CC2)CC1 ZINC000047674205 383835564 /nfs/dbraw/zinc/83/55/64/383835564.db2.gz KRJWGZYPUYKIRD-SECBINFHSA-N 0 3 241.335 0.293 20 0 BCADHN CN(C(=O)CN[C@H]1COCC1(C)C)C1CC1 ZINC000313072510 383836309 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/nfs/dbraw/zinc/38/19/42/134381942.db2.gz DMUFNJJXXHPISA-ZJUUUORDSA-N 0 3 234.365 0.656 20 0 BCADHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000334641350 383876935 /nfs/dbraw/zinc/87/69/35/383876935.db2.gz RAXNTBVSFWBURF-YUMQZZPRSA-N 0 3 246.307 0.840 20 0 BCADHN CC(C)NC(=O)CCN1CCC(O)CC1 ZINC000046502821 383829329 /nfs/dbraw/zinc/82/93/29/383829329.db2.gz DZIKANBVFIMGTE-UHFFFAOYSA-N 0 3 214.309 0.358 20 0 BCADHN COCc1ccc(CNC[C@@H](O)COC)cc1 ZINC000088568526 383912547 /nfs/dbraw/zinc/91/25/47/383912547.db2.gz HJYGANQEAXQXED-CYBMUJFWSA-N 0 3 239.315 0.930 20 0 BCADHN C[C@@H]1CN(C[C@H](O)COC[C@@H]2CCCO2)[C@H]1C ZINC000559350594 383917016 /nfs/dbraw/zinc/91/70/16/383917016.db2.gz OYGYAWHAHTYHFY-VOAKCMCISA-N 0 3 243.347 0.883 20 0 BCADHN C[C@@H]1CN(C[C@H](O)COC[C@H]2CCCO2)[C@@H]1C ZINC000559350589 383917584 /nfs/dbraw/zinc/91/75/84/383917584.db2.gz OYGYAWHAHTYHFY-FVCCEPFGSA-N 0 3 243.347 0.883 20 0 BCADHN C[C@@H]1CN(C[C@H](O)COC[C@@H]2CCCO2)[C@@H]1C ZINC000559350593 383918642 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TYVULTBQXIRJGH-UHFFFAOYSA-N 0 3 236.315 0.988 20 0 BCADHN COC[C@H](O)CN[C@H](C)c1cccnc1 ZINC000070558711 383940974 /nfs/dbraw/zinc/94/09/74/383940974.db2.gz NTYIOHABBRNLFJ-MWLCHTKSSA-N 0 3 210.277 0.740 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1ccncc1 ZINC000070558712 383941541 /nfs/dbraw/zinc/94/15/41/383941541.db2.gz PWDDUEYAMJNBQU-ONGXEEELSA-N 0 3 210.277 0.740 20 0 BCADHN CC[C@@H](COC)NC(=O)[C@H]1CCCCN1 ZINC000070626236 383944192 /nfs/dbraw/zinc/94/41/92/383944192.db2.gz KJYTYHLDUQUUBG-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@H](COC)NC(=O)[C@@H](N)CC(C)C ZINC000070626185 383944910 /nfs/dbraw/zinc/94/49/10/383944910.db2.gz UGMBOSAERNQUJU-ZJUUUORDSA-N 0 3 216.325 0.901 20 0 BCADHN COc1ncncc1CN[C@](C)(CO)C(C)C ZINC000647212443 383954469 /nfs/dbraw/zinc/95/44/69/383954469.db2.gz VDHKQORTKMLBTQ-GFCCVEGCSA-N 0 3 239.319 0.982 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1nccn1C ZINC000070854730 383957706 /nfs/dbraw/zinc/95/77/06/383957706.db2.gz PZIWGNHTTAMVRB-VIFPVBQESA-N 0 3 210.281 0.020 20 0 BCADHN CC(C)(C)CS(=O)(=O)N1CCCNCC1 ZINC000070711780 383958287 /nfs/dbraw/zinc/95/82/87/383958287.db2.gz SNTVTEBJAFFBPC-UHFFFAOYSA-N 0 3 234.365 0.658 20 0 BCADHN CCS(=O)(=O)C(C)C(=O)N(C)C(C)C ZINC000332437907 383966663 /nfs/dbraw/zinc/96/66/63/383966663.db2.gz DHTADPIRBSDSTJ-QMMMGPOBSA-N 0 3 221.322 0.676 20 0 BCADHN CCC[C@H](O)CNCc1cnc(C)n1C ZINC000569379798 383967939 /nfs/dbraw/zinc/96/79/39/383967939.db2.gz RKKFTCMWDZOWSH-NSHDSACASA-N 0 3 211.309 0.979 20 0 BCADHN C[C@H](N[C@@H]1CN(C)C[C@@H]1C)C(=O)NCCF ZINC000309397164 384016518 /nfs/dbraw/zinc/01/65/18/384016518.db2.gz GTBUIJFOTGQBBM-LPEHRKFASA-N 0 3 231.315 0.000 20 0 BCADHN Cn1cc([C@H](CO)NC[C@H]2CCSC2)cn1 ZINC000278551658 384018901 /nfs/dbraw/zinc/01/89/01/384018901.db2.gz VDQBWTVWQNIOMG-KOLCDFICSA-N 0 3 241.360 0.796 20 0 BCADHN CC(C)C(=O)NCCN[C@H]1CO[C@H](C)C1 ZINC000401794115 384020061 /nfs/dbraw/zinc/02/00/61/384020061.db2.gz PKYILNDGZXGMDG-NXEZZACHSA-N 0 3 214.309 0.526 20 0 BCADHN O=C1NC[C@@H]2CN(C[C@H]3CCSC3)CCN12 ZINC000336502982 384020591 /nfs/dbraw/zinc/02/05/91/384020591.db2.gz KTQGJCKFPQFJFB-NXEZZACHSA-N 0 3 241.360 0.449 20 0 BCADHN Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)nn1C ZINC000336492825 384004752 /nfs/dbraw/zinc/00/47/52/384004752.db2.gz GBTQLRIZSSRQIC-LLVKDONJSA-N 0 3 248.330 0.649 20 0 BCADHN Cc1n[nH]c(C)c1CNCCC(=O)N(C)C ZINC000037751900 384006049 /nfs/dbraw/zinc/00/60/49/384006049.db2.gz OQSUJSZPVVFXGQ-UHFFFAOYSA-N 0 3 224.308 0.594 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@H]1CO[C@@H](C)C1 ZINC000647216005 384008494 /nfs/dbraw/zinc/00/84/94/384008494.db2.gz QKDRKHGRXCUSKB-LNFKQOIKSA-N 0 3 215.293 0.557 20 0 BCADHN O=C1NC[C@@H]2CN(C[C@@H]3CCCOC3)CCN12 ZINC000336495613 384011200 /nfs/dbraw/zinc/01/12/00/384011200.db2.gz VQZHFPGYZGPDQM-WDEREUQCSA-N 0 3 239.319 0.122 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000037770181 384012656 /nfs/dbraw/zinc/01/26/56/384012656.db2.gz NBLQAJOQACDGPG-SECBINFHSA-N 0 3 245.286 0.612 20 0 BCADHN Cc1noc(C)c1CC(=O)N1CCCNCC1 ZINC000035099106 384015039 /nfs/dbraw/zinc/01/50/39/384015039.db2.gz ZUMHWRSRRPIKLO-UHFFFAOYSA-N 0 3 237.303 0.656 20 0 BCADHN C[C@H]1C[C@@H](NCCC(C)(C)S(C)(=O)=O)CO1 ZINC000647217829 384048058 /nfs/dbraw/zinc/04/80/58/384048058.db2.gz HXGBLJNICJKTRY-VHSXEESVSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H](NC[C@H](O)Cn1cccn1)c1ccccn1 ZINC000037889243 384031857 /nfs/dbraw/zinc/03/18/57/384031857.db2.gz AEFAPAXRLZUYLR-NEPJUHHUSA-N 0 3 246.314 0.990 20 0 BCADHN COCCNC(=O)C1(N[C@H]2CO[C@@H](C)C2)CC1 ZINC000647217316 384038493 /nfs/dbraw/zinc/03/84/93/384038493.db2.gz LDGQOIPXMUSZLZ-VHSXEESVSA-N 0 3 242.319 0.049 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1ccncc1 ZINC000049096489 384041243 /nfs/dbraw/zinc/04/12/43/384041243.db2.gz FDTAJOXNEFUKNJ-LLVKDONJSA-N 0 3 219.288 0.906 20 0 BCADHN COCC[C@H](C)N[C@@H](CO)c1cnn(C)c1 ZINC000090884244 384083358 /nfs/dbraw/zinc/08/33/58/384083358.db2.gz VJNSNBRLGWSXEP-ONGXEEELSA-N 0 3 227.308 0.468 20 0 BCADHN Cc1nc(CNC(=O)[C@@H](N)C(C)(C)C)no1 ZINC000115575782 384087418 /nfs/dbraw/zinc/08/74/18/384087418.db2.gz ARAMUOPNWVUSDX-MRVPVSSYSA-N 0 3 226.280 0.368 20 0 BCADHN CN(C(=O)NC1CCN(C)CC1)C1CC1 ZINC000114912052 384058624 /nfs/dbraw/zinc/05/86/24/384058624.db2.gz ZSYYAYFZZFKUDO-UHFFFAOYSA-N 0 3 211.309 0.884 20 0 BCADHN COC[C@H](CO)N[C@@H](C)[C@H]1CCCO1 ZINC000308712447 384059516 /nfs/dbraw/zinc/05/95/16/384059516.db2.gz ZNFJFBVXYUJDRB-LPEHRKFASA-N 0 3 203.282 0.151 20 0 BCADHN CCS(=O)(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000336528482 384060744 /nfs/dbraw/zinc/06/07/44/384060744.db2.gz MVZIWZIEVABVON-WDEREUQCSA-N 0 3 246.376 0.895 20 0 BCADHN O=C1CNC(=O)N1CCN1CCC2(CC2)CC1 ZINC000363459258 384061185 /nfs/dbraw/zinc/06/11/85/384061185.db2.gz JFHSPGKBAHYKEF-UHFFFAOYSA-N 0 3 237.303 0.414 20 0 BCADHN Cn1cc(CCN2CCC[C@H]2CO)cn1 ZINC000077282827 384064370 /nfs/dbraw/zinc/06/43/70/384064370.db2.gz JIPSANRQQWISMR-NSHDSACASA-N 0 3 209.293 0.419 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@H](COC)C1 ZINC000077897549 384069575 /nfs/dbraw/zinc/06/95/75/384069575.db2.gz BFWKHPYPFIYMEX-IUCAKERBSA-N 0 3 200.282 0.219 20 0 BCADHN COC(=O)[C@H](C)CN(C)CCn1cccn1 ZINC000050068867 384103772 /nfs/dbraw/zinc/10/37/72/384103772.db2.gz YORUCDUEPFUZPD-SNVBAGLBSA-N 0 3 225.292 0.624 20 0 BCADHN COC(=O)[C@@H](C)CN(C)CCn1cccn1 ZINC000050068865 384104605 /nfs/dbraw/zinc/10/46/05/384104605.db2.gz YORUCDUEPFUZPD-JTQLQIEISA-N 0 3 225.292 0.624 20 0 BCADHN O=C(CN1CCNC[C@@H]1C(F)F)NCC1CC1 ZINC000569484998 384108772 /nfs/dbraw/zinc/10/87/72/384108772.db2.gz DYOGYNIVCDUDGP-SECBINFHSA-N 0 3 247.289 0.052 20 0 BCADHN CCCNC(=O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000302299205 384133312 /nfs/dbraw/zinc/13/33/12/384133312.db2.gz HFRFWKKFCGJNPO-LLVKDONJSA-N 0 3 239.323 0.460 20 0 BCADHN CC(C)N(C)CC(=O)NCCN1CCCC1=O ZINC000569495403 384123170 /nfs/dbraw/zinc/12/31/70/384123170.db2.gz JNOLSVZAOUMUKB-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN OCC(CO)NCCOc1cccc(F)c1 ZINC000517755049 384124109 /nfs/dbraw/zinc/12/41/09/384124109.db2.gz LQIHPIVASGQLJV-UHFFFAOYSA-N 0 3 229.251 0.147 20 0 BCADHN CC(C)[C@@H](N)c1cn([C@H](C)C(=O)N(C)C)nn1 ZINC000302344131 384147641 /nfs/dbraw/zinc/14/76/41/384147641.db2.gz MHUWACPNCFLJFP-PSASIEDQSA-N 0 3 239.323 0.583 20 0 BCADHN CC(C)[C@@H](CCO)N[C@H](C)CS(C)(=O)=O ZINC000132217157 384147960 /nfs/dbraw/zinc/14/79/60/384147960.db2.gz RASAHAPQYXYGCE-NXEZZACHSA-N 0 3 237.365 0.416 20 0 BCADHN CN(CCn1cncn1)C[C@H]1CCC[C@@H]1O ZINC000330363506 384150440 /nfs/dbraw/zinc/15/04/40/384150440.db2.gz INEYKHLETSRZLF-MNOVXSKESA-N 0 3 224.308 0.371 20 0 BCADHN NC(=O)C[C@@]1(O)CCCN(Cc2ccncc2)C1 ZINC000643745626 384153107 /nfs/dbraw/zinc/15/31/07/384153107.db2.gz NAACRXJDNYUODG-ZDUSSCGKSA-N 0 3 249.314 0.284 20 0 BCADHN CCN(C(=O)[C@H]1CCCN1C1CC1)[C@@H](C)CO ZINC000358787486 384154962 /nfs/dbraw/zinc/15/49/62/384154962.db2.gz MEAXRAJWDFOFOA-CMPLNLGQSA-N 0 3 240.347 0.843 20 0 BCADHN COC[C@H](O)CN[C@@H]1CCCc2c1cnn2C ZINC000071263833 384156432 /nfs/dbraw/zinc/15/64/32/384156432.db2.gz ABCZTIBLMSIBQU-MWLCHTKSSA-N 0 3 239.319 0.394 20 0 BCADHN COC[C@H](O)CN[C@H]1CCCc2c1cnn2C ZINC000071263834 384157149 /nfs/dbraw/zinc/15/71/49/384157149.db2.gz ABCZTIBLMSIBQU-KOLCDFICSA-N 0 3 239.319 0.394 20 0 BCADHN O=C(CN1CCC[C@H](O)CC1)N1CCCC1 ZINC000335929547 384143057 /nfs/dbraw/zinc/14/30/57/384143057.db2.gz SNUBJGHBWDECFH-NSHDSACASA-N 0 3 226.320 0.456 20 0 BCADHN CC(C)C(=O)NCCNCc1cc[nH]c1 ZINC000080773313 384173845 /nfs/dbraw/zinc/17/38/45/384173845.db2.gz NJDCMEALPMZJCJ-UHFFFAOYSA-N 0 3 209.293 0.877 20 0 BCADHN CCCCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000560505358 384176749 /nfs/dbraw/zinc/17/67/49/384176749.db2.gz LZLMFRCZOQYUIY-ZDUSSCGKSA-N 0 3 240.347 0.750 20 0 BCADHN CC[C@H](N)C(=O)NCc1cccc2c1OCO2 ZINC000040667852 384160638 /nfs/dbraw/zinc/16/06/38/384160638.db2.gz OJPTZYXLEFKXNP-VIFPVBQESA-N 0 3 236.271 0.769 20 0 BCADHN CNC(=O)c1ccc(CNC[C@H](O)C2CC2)cc1 ZINC000071302857 384161483 /nfs/dbraw/zinc/16/14/83/384161483.db2.gz WZEPEDQBIXETTK-ZDUSSCGKSA-N 0 3 248.326 0.907 20 0 BCADHN C[C@H](NCc1cn(C)nn1)C1CCOCC1 ZINC000230223659 259646961 /nfs/dbraw/zinc/64/69/61/259646961.db2.gz IFUAZNOJPXJKEW-VIFPVBQESA-N 0 3 224.308 0.720 20 0 BCADHN COC[C@H](O)CN[C@@H](C)c1ccc(F)cn1 ZINC000092196411 384166911 /nfs/dbraw/zinc/16/69/11/384166911.db2.gz IQPSVWFWZJZLKO-WCBMZHEXSA-N 0 3 228.267 0.879 20 0 BCADHN [NH3+][C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000050228623 384171025 /nfs/dbraw/zinc/17/10/25/384171025.db2.gz ZLUADMBTXJSMLN-MRVPVSSYSA-N 0 3 206.245 0.565 20 0 BCADHN COC(=O)c1cc(CN2CCC[C@@H]2CO)c[nH]1 ZINC000092470997 384180636 /nfs/dbraw/zinc/18/06/36/384180636.db2.gz GDHSBNSWNBNVPE-SNVBAGLBSA-N 0 3 238.287 0.758 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@@H]1CCCCNC1=O ZINC000132354661 384183210 /nfs/dbraw/zinc/18/32/10/384183210.db2.gz KQHPEKAPGDITQR-OPRDCNLKSA-N 0 3 214.309 0.668 20 0 BCADHN COC(=O)N1CC(N[C@H](C)[C@@H]2CCCO2)C1 ZINC000309623208 384183745 /nfs/dbraw/zinc/18/37/45/384183745.db2.gz FTZNLBVUTLOJOI-SCZZXKLOSA-N 0 3 228.292 0.594 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)NC(C)(C)C ZINC000132704759 384202024 /nfs/dbraw/zinc/20/20/24/384202024.db2.gz KSDSUZOWMVLFBV-LLVKDONJSA-N 0 3 231.340 0.397 20 0 BCADHN C[C@H](NCC(=O)N1CCNC1=O)c1ccccc1 ZINC000007783306 384186430 /nfs/dbraw/zinc/18/64/30/384186430.db2.gz HSFLJENQRCARKQ-JTQLQIEISA-N 0 3 247.298 0.889 20 0 BCADHN Cn1nnc(CN2CCNCc3ccccc32)n1 ZINC000236144695 384190754 /nfs/dbraw/zinc/19/07/54/384190754.db2.gz GZYUCINVJIXYEO-UHFFFAOYSA-N 0 3 244.302 0.320 20 0 BCADHN CCNS(=O)(=O)[C@@H]1CCN(CC(C)C)C1 ZINC000092842571 384197202 /nfs/dbraw/zinc/19/72/02/384197202.db2.gz AMZAAYNDVUPBJQ-SNVBAGLBSA-N 0 3 234.365 0.656 20 0 BCADHN COCC[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000081710506 384197644 /nfs/dbraw/zinc/19/76/44/384197644.db2.gz CHGUCZLHOAKCSS-UWVGGRQHSA-N 0 3 216.325 0.901 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)[C@@H]1NCC1(C)C ZINC000644160758 384234021 /nfs/dbraw/zinc/23/40/21/384234021.db2.gz DSGCXBAPDMGKQC-YIZRAAEISA-N 0 3 214.309 0.524 20 0 BCADHN C[C@H](C(N)=O)N(C)C[C@@H]1CCCOC1 ZINC000082545188 384237427 /nfs/dbraw/zinc/23/74/27/384237427.db2.gz DXLZPSVLPWPHNO-BDAKNGLRSA-N 0 3 200.282 0.219 20 0 BCADHN C[C@]1(O)CCCN(CCc2cnccn2)C1 ZINC000402901757 384238497 /nfs/dbraw/zinc/23/84/97/384238497.db2.gz LRBYCTCDVMLOSJ-LBPRGKRZSA-N 0 3 221.304 0.866 20 0 BCADHN C[C@H]1[C@@H](O)CCCN1CCc1cnccn1 ZINC000402904492 384239341 /nfs/dbraw/zinc/23/93/41/384239341.db2.gz NCLJAGBOUFQALU-JQWIXIFHSA-N 0 3 221.304 0.864 20 0 BCADHN CCOC[C@@H](C)N[C@H](C)CS(C)(=O)=O ZINC000081900968 384211134 /nfs/dbraw/zinc/21/11/34/384211134.db2.gz RLEIUXKYBAFSSD-RKDXNWHRSA-N 0 3 223.338 0.434 20 0 BCADHN CCOCCN[C@@H](C)CS(C)(=O)=O ZINC000081899394 384211599 /nfs/dbraw/zinc/21/15/99/384211599.db2.gz ZDWDHCQSWJTNPA-QMMMGPOBSA-N 0 3 209.311 0.046 20 0 BCADHN COCCCCN[C@@H](C)CS(C)(=O)=O ZINC000081900956 384211714 /nfs/dbraw/zinc/21/17/14/384211714.db2.gz SVZABDJFTODQTO-VIFPVBQESA-N 0 3 223.338 0.436 20 0 BCADHN CCOCCCN[C@@H](C)CS(C)(=O)=O ZINC000081898878 384211730 /nfs/dbraw/zinc/21/17/30/384211730.db2.gz RHYZPTOBSGEDPW-VIFPVBQESA-N 0 3 223.338 0.436 20 0 BCADHN C[C@@H](O)[C@H]1CCN(CCc2cnccn2)C1 ZINC000402883772 384212865 /nfs/dbraw/zinc/21/28/65/384212865.db2.gz AMCKFTKJVGOJCY-MNOVXSKESA-N 0 3 221.304 0.722 20 0 BCADHN CCCCOC[C@@H](O)CN1CCN(C)C[C@@H]1C ZINC000227940431 134399608 /nfs/dbraw/zinc/39/96/08/134399608.db2.gz KLQIJUUMPWCDAK-STQMWFEESA-N 0 3 244.379 0.800 20 0 BCADHN Cc1cc(NC(=O)[C@H]2NCC2(C)C)cn(C)c1=O ZINC000644156380 384218863 /nfs/dbraw/zinc/21/88/63/384218863.db2.gz YMNKZSBGMNGBDO-SNVBAGLBSA-N 0 3 249.314 0.630 20 0 BCADHN CC[C@@H](C)CN1CCN(CC(N)=O)CC1 ZINC000118965187 384219930 /nfs/dbraw/zinc/21/99/30/384219930.db2.gz NNKIOFAYXOSNQY-SNVBAGLBSA-N 0 3 213.325 0.135 20 0 BCADHN CC(C)(N)C(=O)NC1CCSCC1 ZINC000157570841 384221683 /nfs/dbraw/zinc/22/16/83/384221683.db2.gz WJYVFVJDMAHJPR-UHFFFAOYSA-N 0 3 202.323 0.736 20 0 BCADHN C[C@H]1CCN(CCc2cnccn2)[C@H]1CO ZINC000402891557 384222184 /nfs/dbraw/zinc/22/21/84/384222184.db2.gz FSEUAVKGPDKSER-JQWIXIFHSA-N 0 3 221.304 0.722 20 0 BCADHN CNC(=O)NC(=O)CN1CCC[C@@H]2CCC[C@H]21 ZINC000247532598 384225744 /nfs/dbraw/zinc/22/57/44/384225744.db2.gz OIHLVVHKRLEFJV-VHSXEESVSA-N 0 3 239.319 0.707 20 0 BCADHN CSCCCN1CCC[C@H]1C(N)=O ZINC000173498239 384226951 /nfs/dbraw/zinc/22/69/51/384226951.db2.gz KCXHNRLEUQYTNX-QMMMGPOBSA-N 0 3 202.323 0.689 20 0 BCADHN Cn1cncc1CNC1CCC(O)CC1 ZINC000082393792 384228321 /nfs/dbraw/zinc/22/83/21/384228321.db2.gz SUDWWUHRAKXUTF-UHFFFAOYSA-N 0 3 209.293 0.813 20 0 BCADHN CC[C@@H]1C[C@H](NC(=O)[C@@H](CN)OC)CCO1 ZINC000644164994 384244205 /nfs/dbraw/zinc/24/42/05/384244205.db2.gz WFMRCCMVSQHIDL-OPRDCNLKSA-N 0 3 230.308 0.034 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000644164719 384244220 /nfs/dbraw/zinc/24/42/20/384244220.db2.gz GDSCRGRYFBKJRF-JXUBOQSCSA-N 0 3 208.305 0.899 20 0 BCADHN C[C@H](N[C@H]1CO[C@H](C)C1)C(=O)N1CCCC1 ZINC000401900417 384249774 /nfs/dbraw/zinc/24/97/74/384249774.db2.gz QAUHNNARERUGSV-OUAUKWLOSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@H]1CN(CCc2cnccn2)C[C@H]1O ZINC000402919612 384250934 /nfs/dbraw/zinc/25/09/34/384250934.db2.gz QJJJSMGQHYTASC-CMPLNLGQSA-N 0 3 221.304 0.722 20 0 BCADHN COCCN(CC1CCC1)[C@H](C)C(N)=O ZINC000173705198 384253685 /nfs/dbraw/zinc/25/36/85/384253685.db2.gz MSMZYELNVLOUEO-SECBINFHSA-N 0 3 214.309 0.609 20 0 BCADHN COc1cc(C)ccc1CNC(=O)[C@H](C)N ZINC000119277962 384254238 /nfs/dbraw/zinc/25/42/38/384254238.db2.gz SJCQVKHZCPYEPK-VIFPVBQESA-N 0 3 222.288 0.967 20 0 BCADHN Cc1ccc(NC(=O)[C@@H](C)N)cc1C(=O)N(C)C ZINC000119273274 384254506 /nfs/dbraw/zinc/25/45/06/384254506.db2.gz WWTWMROZUCNOGQ-SECBINFHSA-N 0 3 249.314 0.983 20 0 BCADHN CC[C@@H]1CN(C)CCN1Cc1cncn1C ZINC000560614189 384255463 /nfs/dbraw/zinc/25/54/63/384255463.db2.gz BLYVARHRLRDISH-LLVKDONJSA-N 0 3 222.336 0.946 20 0 BCADHN CCN(C)CCNC(=O)c1ccc(NC=O)cc1 ZINC000073644191 384258321 /nfs/dbraw/zinc/25/83/21/384258321.db2.gz OEAKJCILWYEUJQ-UHFFFAOYSA-N 0 3 249.314 0.936 20 0 BCADHN Cc1n[nH]cc1CN1CCC[C@@H](CC(N)=O)C1 ZINC000093809341 384268427 /nfs/dbraw/zinc/26/84/27/384268427.db2.gz YQDIOFFNHNJLMJ-JTQLQIEISA-N 0 3 236.319 0.806 20 0 BCADHN c1cc(N[C@@H]2CCN(C3CC3)C2)nn2nnnc12 ZINC000109193710 384270267 /nfs/dbraw/zinc/27/02/67/384270267.db2.gz TYIOJIPVXKRNIS-MRVPVSSYSA-N 0 3 245.290 0.168 20 0 BCADHN O=C1NC[C@@H]2CN(C/C=C/Cl)CC[C@@H]12 ZINC000368245799 384273242 /nfs/dbraw/zinc/27/32/42/384273242.db2.gz YRQINGPTIPXSRO-XQTQNPGASA-N 0 3 214.696 0.807 20 0 BCADHN O=C([C@@H]1CCN([C@@H]2CCOC2)C1)N1CCCC1 ZINC000336632928 384275527 /nfs/dbraw/zinc/27/55/27/384275527.db2.gz JFEYOBBDOABFCC-VXGBXAGGSA-N 0 3 238.331 0.720 20 0 BCADHN CC[C@@H](CO)N1CCN(CCSC)CC1 ZINC000174141072 384304832 /nfs/dbraw/zinc/30/48/32/384304832.db2.gz BQTZOAIXOVXQPF-NSHDSACASA-N 0 3 232.393 0.738 20 0 BCADHN CC[C@](C)(O)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000083463200 384305676 /nfs/dbraw/zinc/30/56/76/384305676.db2.gz LGEKSTFROOOAPC-ZJUUUORDSA-N 0 3 235.349 0.314 20 0 BCADHN C[C@@H](NC(=O)CN)c1cn(-c2ccccc2)nn1 ZINC000237590839 384305739 /nfs/dbraw/zinc/30/57/39/384305739.db2.gz MJADBHFJWWWTDC-SECBINFHSA-N 0 3 245.286 0.403 20 0 BCADHN CC[C@@](C)(O)CN[C@H]1CCCS(=O)(=O)C1 ZINC000083463208 384306283 /nfs/dbraw/zinc/30/62/83/384306283.db2.gz LGEKSTFROOOAPC-VHSXEESVSA-N 0 3 235.349 0.314 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000119860496 384309641 /nfs/dbraw/zinc/30/96/41/384309641.db2.gz UVEPZFIOMZPGPH-MNOVXSKESA-N 0 3 228.336 0.855 20 0 BCADHN C[C@@](O)(CN[C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000332214708 384309882 /nfs/dbraw/zinc/30/98/82/384309882.db2.gz WMMYFEFBOCNIOK-GHMZBOCLSA-N 0 3 247.360 0.314 20 0 BCADHN CNC(=O)[C@H](CC(C)C)N[C@@H]1CO[C@@H](C)C1 ZINC000401934597 384313477 /nfs/dbraw/zinc/31/34/77/384313477.db2.gz ZOIBCEKUOGNALQ-DCAQKATOSA-N 0 3 228.336 0.914 20 0 BCADHN CCN(CC)C(=O)CN[C@H](CO)C1CCCC1 ZINC000352707127 384313582 /nfs/dbraw/zinc/31/35/82/384313582.db2.gz QGKXCWMGEMDGPE-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H]1C[C@H](O)CN(CCn2cccn2)C1 ZINC000335442494 384282958 /nfs/dbraw/zinc/28/29/58/384282958.db2.gz COOXTEXYAJJNTK-MNOVXSKESA-N 0 3 209.293 0.586 20 0 BCADHN C[C@@H](N)C(=O)N1CCn2c3ccccc3nc21 ZINC000133346733 384285722 /nfs/dbraw/zinc/28/57/22/384285722.db2.gz CEYBQUJWUMBFPY-MRVPVSSYSA-N 0 3 230.271 0.730 20 0 BCADHN C[C@@H]1C[C@@H](NCC(C)(C)S(C)(=O)=O)CO1 ZINC000401919614 384286966 /nfs/dbraw/zinc/28/69/66/384286966.db2.gz ZIBNLWXRBDELRM-RKDXNWHRSA-N 0 3 235.349 0.577 20 0 BCADHN Cc1ccc(CNC[C@H](O)CO)cc1C ZINC000083345861 384288860 /nfs/dbraw/zinc/28/88/60/384288860.db2.gz OJOXUBLZJCILCQ-LBPRGKRZSA-N 0 3 209.289 0.746 20 0 BCADHN CCN(CC)C(=O)[C@H](N)CCC(=O)OC ZINC000238232231 384292516 /nfs/dbraw/zinc/29/25/16/384292516.db2.gz OYSQDYSZSUIBGJ-MRVPVSSYSA-N 0 3 216.281 0.135 20 0 BCADHN CN(CCc1cccs1)[C@@H]1COC[C@H]1O ZINC000308796685 384293828 /nfs/dbraw/zinc/29/38/28/384293828.db2.gz KOUKCJYUWNEORF-GHMZBOCLSA-N 0 3 227.329 0.982 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](C)N)c1ccncc1 ZINC000168702061 384295432 /nfs/dbraw/zinc/29/54/32/384295432.db2.gz IRPCIUGWABODAN-PSASIEDQSA-N 0 3 207.277 0.996 20 0 BCADHN CC[C@@H](CO)NCc1cnc(N(C)C)n1C ZINC000069717980 384299954 /nfs/dbraw/zinc/29/99/54/384299954.db2.gz NOOPXDQGMOPQHD-VIFPVBQESA-N 0 3 226.324 0.347 20 0 BCADHN Nc1cccc(C(=O)N2CCN3CCC[C@@H]3C2)n1 ZINC000094467081 384301063 /nfs/dbraw/zinc/30/10/63/384301063.db2.gz NXPOYIMUZJBSSY-SNVBAGLBSA-N 0 3 246.314 0.584 20 0 BCADHN CC[C@@H](C)N(CCO)CC(=O)N1CCC1 ZINC000308835537 384336771 /nfs/dbraw/zinc/33/67/71/384336771.db2.gz WDPJUUPENAWSSS-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN C[C@@H](N)C(=O)NCC(=O)Nc1ccccc1 ZINC000083884070 384341511 /nfs/dbraw/zinc/34/15/11/384341511.db2.gz NPUVGMQBLGRRLI-MRVPVSSYSA-N 0 3 221.260 0.089 20 0 BCADHN C[C@@H]1OCC[C@H]1NC(=O)[C@H](N)Cc1ccccc1 ZINC000134257457 384343046 /nfs/dbraw/zinc/34/30/46/384343046.db2.gz UOCKZEWPFGYYAR-CYZMBNFOSA-N 0 3 248.326 0.850 20 0 BCADHN CN(C)C(=O)CCN1CC[C@H](OC(F)F)C1 ZINC000558865943 384345510 /nfs/dbraw/zinc/34/55/10/384345510.db2.gz BMGBJZNFPOVLEO-QMMMGPOBSA-N 0 3 236.262 0.778 20 0 BCADHN C[C@H](N)C(=O)NCc1cccnc1N(C)C ZINC000083928451 384348321 /nfs/dbraw/zinc/34/83/21/384348321.db2.gz UHBYBEKSRRTRBP-QMMMGPOBSA-N 0 3 222.292 0.111 20 0 BCADHN C[C@H]1OCC[C@H]1NCC(=O)NC1CCCC1 ZINC000134546403 384349113 /nfs/dbraw/zinc/34/91/13/384349113.db2.gz SLYQCCYMXGJLRB-MWLCHTKSSA-N 0 3 226.320 0.812 20 0 BCADHN C[C@@H](N)C(=O)N(C)CCc1nccs1 ZINC000083930753 384349215 /nfs/dbraw/zinc/34/92/15/384349215.db2.gz KYVMVTSYCIDVCY-SSDOTTSWSA-N 0 3 213.306 0.491 20 0 BCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NC1CC1 ZINC000228883023 384351197 /nfs/dbraw/zinc/35/11/97/384351197.db2.gz BDJNNIHUMYWXNP-GIPNMCIBSA-N 0 3 238.331 0.798 20 0 BCADHN COC(=O)CNC(=O)CN1CCCC[C@H](C)C1 ZINC000187952710 384352450 /nfs/dbraw/zinc/35/24/50/384352450.db2.gz HQTLSYWNPZVCSZ-JTQLQIEISA-N 0 3 242.319 0.398 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NCCC1CC1 ZINC000336700289 384353045 /nfs/dbraw/zinc/35/30/45/384353045.db2.gz XAHFBPMOPJHDHO-ZETCQYMHSA-N 0 3 206.236 0.885 20 0 BCADHN CCC[C@H](O)CN1CCN(C)C[C@H]1C ZINC000300354989 384356175 /nfs/dbraw/zinc/35/61/75/384356175.db2.gz LBQHTHSNRLDODW-MNOVXSKESA-N 0 3 200.326 0.783 20 0 BCADHN O=C(NCc1c[nH]cn1)[C@@H]1CCCCN1 ZINC000084081067 384360267 /nfs/dbraw/zinc/36/02/67/384360267.db2.gz VKUCPYQXYKKONI-VIFPVBQESA-N 0 3 208.265 0.168 20 0 BCADHN C[C@H](N[C@@]1(C)CCO[C@H]1C)C(=O)N(C)C ZINC000300371035 384361119 /nfs/dbraw/zinc/36/11/19/384361119.db2.gz ULVASRIINFZEAH-QXEWZRGKSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@@H](NC[C@]1(O)CCN(C)C1)c1ncc[nH]1 ZINC000330364053 384363542 /nfs/dbraw/zinc/36/35/42/384363542.db2.gz COYIDTUTTJATSV-MWLCHTKSSA-N 0 3 224.308 0.127 20 0 BCADHN CSC[C@@H](O)CN(C)C1(C(N)=O)CCCC1 ZINC000188147491 384365475 /nfs/dbraw/zinc/36/54/75/384365475.db2.gz NELCHBNMINXUDM-VIFPVBQESA-N 0 3 246.376 0.440 20 0 BCADHN Cn1cc(CN[C@@H]2CCC[C@@H]2CCO)nn1 ZINC000330364630 384370679 /nfs/dbraw/zinc/37/06/79/384370679.db2.gz SZKRCMAGRHXGBB-MWLCHTKSSA-N 0 3 224.308 0.456 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CCC[C@@]1(C)CO ZINC000330364813 384372425 /nfs/dbraw/zinc/37/24/25/384372425.db2.gz XSUAHFDWCABPPI-JQWIXIFHSA-N 0 3 228.336 0.605 20 0 BCADHN CN1CCC[C@H]1CNC(=O)c1ccccn1 ZINC000082278736 384326296 /nfs/dbraw/zinc/32/62/96/384326296.db2.gz ZFQQYOAXYCLNKB-JTQLQIEISA-N 0 3 219.288 0.906 20 0 BCADHN CN(C)CCNc1ccc(C(=O)N(C)C)cn1 ZINC000095008972 384327328 /nfs/dbraw/zinc/32/73/28/384327328.db2.gz XIIHDXWRIAXMJX-UHFFFAOYSA-N 0 3 236.319 0.757 20 0 BCADHN CN(C)CCN(C)C(=O)Cc1ccc(O)cc1 ZINC000134098129 384330607 /nfs/dbraw/zinc/33/06/07/384330607.db2.gz NIRDCYJFJMRYON-UHFFFAOYSA-N 0 3 236.315 0.955 20 0 BCADHN CCn1cc([C@H](C)NCCc2cn(C)nn2)cn1 ZINC000647323779 384333579 /nfs/dbraw/zinc/33/35/79/384333579.db2.gz UUEMKOJPEZWMNO-JTQLQIEISA-N 0 3 248.334 0.925 20 0 BCADHN CC1(CCNC(=O)COC2(C)CNC2)CC1 ZINC000648174333 384392661 /nfs/dbraw/zinc/39/26/61/384392661.db2.gz GWDLWJYFQIVBFC-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)CN(C)C(C)C ZINC000175138508 384399658 /nfs/dbraw/zinc/39/96/58/384399658.db2.gz XNCPHIKEEQBIIZ-SNVBAGLBSA-N 0 3 244.335 0.642 20 0 BCADHN CN(C)CCNC(=O)C1CCC(O)CC1 ZINC000084480456 384400018 /nfs/dbraw/zinc/40/00/18/384400018.db2.gz SHNBNLKYRWLMOT-UHFFFAOYSA-N 0 3 214.309 0.215 20 0 BCADHN Cc1cc(C(=O)N2CCCN(C)CC2)n[nH]1 ZINC000077304268 384402863 /nfs/dbraw/zinc/40/28/63/384402863.db2.gz QSIFOOMEUMRHLM-UHFFFAOYSA-N 0 3 222.292 0.496 20 0 BCADHN Nc1ccnc(CN2CCN(CC3CC3)CC2)n1 ZINC000134996115 384406914 /nfs/dbraw/zinc/40/69/14/384406914.db2.gz NVDQTFOATIACKX-UHFFFAOYSA-N 0 3 247.346 0.586 20 0 BCADHN C[C@@H](NCC(=O)NC1CC1)[C@H]1CCCO1 ZINC000035247580 384407309 /nfs/dbraw/zinc/40/73/09/384407309.db2.gz ZKRFFDDGJARWBL-PSASIEDQSA-N 0 3 212.293 0.422 20 0 BCADHN CCN(C[C@H](C)OC)[C@H]1CCCN(C)C1=O ZINC000556509359 384419666 /nfs/dbraw/zinc/41/96/66/384419666.db2.gz QXUVRFXLMKMQNM-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN COCCN(C)CCNC(=O)C(C)C ZINC000082384131 384420711 /nfs/dbraw/zinc/42/07/11/384420711.db2.gz HVMXICSZPAKRLP-UHFFFAOYSA-N 0 3 202.298 0.337 20 0 BCADHN CC[C@H](N[C@H]1CCC[C@H]1C(=O)NC)C(N)=O ZINC000330364901 384376660 /nfs/dbraw/zinc/37/66/60/384376660.db2.gz ZZRNPHNPUHJHRX-VGMNWLOBSA-N 0 3 227.308 0.805 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000084201793 384379670 /nfs/dbraw/zinc/37/96/70/384379670.db2.gz QPRBMIDRBFJURS-IVZWLZJFSA-N 0 3 212.293 0.504 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000084201787 384380453 /nfs/dbraw/zinc/38/04/53/384380453.db2.gz QPRBMIDRBFJURS-AEJSXWLSSA-N 0 3 212.293 0.504 20 0 BCADHN COC(=O)[C@H]1CCCN(C(=O)C2(N)CCC2)C1 ZINC000568150457 384427479 /nfs/dbraw/zinc/42/74/79/384427479.db2.gz IGSCYJFOLQYBBB-VIFPVBQESA-N 0 3 240.303 0.279 20 0 BCADHN Cn1cccc1CNCCCS(C)(=O)=O ZINC000050596094 384381327 /nfs/dbraw/zinc/38/13/27/384381327.db2.gz CIMHFCBWAWCYHA-UHFFFAOYSA-N 0 3 230.333 0.549 20 0 BCADHN C[C@@H](NCCCOCCO)c1cnn(C)c1 ZINC000134728397 384381752 /nfs/dbraw/zinc/38/17/52/384381752.db2.gz UTZHVDHKUGSHCF-SNVBAGLBSA-N 0 3 227.308 0.470 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](C)CC1 ZINC000063309055 384382032 /nfs/dbraw/zinc/38/20/32/384382032.db2.gz HVVSUBSDJHVEHI-BDAKNGLRSA-N 0 3 227.308 0.692 20 0 BCADHN Cc1cc(CNC[C@@H](C)N(C)C)n(C)n1 ZINC000084244318 384383292 /nfs/dbraw/zinc/38/32/92/384383292.db2.gz RYIBXWIBAMPKFV-SNVBAGLBSA-N 0 3 210.325 0.768 20 0 BCADHN Cc1n[nH]cc1CN[C@H]1CN(C)C[C@@H]1C ZINC000335609140 384384077 /nfs/dbraw/zinc/38/40/77/384384077.db2.gz ZGFLRAYIIHNVAH-KWQFWETISA-N 0 3 208.309 0.758 20 0 BCADHN O=S1(=O)CCCC[C@@H]1CN[C@H]1CCOC1 ZINC000308961708 384386488 /nfs/dbraw/zinc/38/64/88/384386488.db2.gz ZONTWZKDWUYJPN-VHSXEESVSA-N 0 3 233.333 0.332 20 0 BCADHN CN(CCNC(=O)Cc1ccc(N)cn1)C1CC1 ZINC000229621089 384388941 /nfs/dbraw/zinc/38/89/41/384388941.db2.gz QULKPBCUAZREKK-UHFFFAOYSA-N 0 3 248.330 0.417 20 0 BCADHN C[C@H](NCC1(O)CCC1)[C@H](O)C(F)(F)F ZINC000647514862 384444073 /nfs/dbraw/zinc/44/40/73/384444073.db2.gz GDXZWQDWMCIQAY-BQBZGAKWSA-N 0 3 227.226 0.803 20 0 BCADHN Cc1ccncc1CNC[C@@H]1CN(C)CCO1 ZINC000135465527 384447785 /nfs/dbraw/zinc/44/77/85/384447785.db2.gz WOOOSALKUWBTBT-CYBMUJFWSA-N 0 3 235.331 0.810 20 0 BCADHN O=C(N[C@H]1CC12CC2)[C@@H]1CNCCC1(F)F ZINC000648179860 384450965 /nfs/dbraw/zinc/45/09/65/384450965.db2.gz CXIAJSFBKCKFGQ-YUMQZZPRSA-N 0 3 230.258 0.900 20 0 BCADHN Cn1nc2c(cc1=O)CN(CC1CCC1)CC2 ZINC000078621156 384451260 /nfs/dbraw/zinc/45/12/60/384451260.db2.gz ZIJGGKWWMYTMKD-UHFFFAOYSA-N 0 3 233.315 0.939 20 0 BCADHN Cc1cnn(C2CCN(CCO)CC2)c1 ZINC000363489141 384454363 /nfs/dbraw/zinc/45/43/63/384454363.db2.gz NBOLXLFBQOUGAH-UHFFFAOYSA-N 0 3 209.293 0.821 20 0 BCADHN CCc1ccccc1CNCCC(=O)NC(N)=O ZINC000580828830 384455362 /nfs/dbraw/zinc/45/53/62/384455362.db2.gz NCZMFDRXBBMYNE-UHFFFAOYSA-N 0 3 249.314 0.924 20 0 BCADHN CN(CCOCCO)CCO[C@H]1CCCCO1 ZINC000305989635 384456167 /nfs/dbraw/zinc/45/61/67/384456167.db2.gz JAJMQQZUDLEULC-LBPRGKRZSA-N 0 3 247.335 0.470 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2cccn2C)C1 ZINC000152815283 384430666 /nfs/dbraw/zinc/43/06/66/384430666.db2.gz WEZCZLHNOVQKJA-LLVKDONJSA-N 0 3 221.304 0.736 20 0 BCADHN CO[C@]1(C)C[C@H](N(C)C(=O)[C@@H](C)N)C1(C)C ZINC000121652381 384432558 /nfs/dbraw/zinc/43/25/58/384432558.db2.gz MAYXENGUVCNEBM-VDDIYKPWSA-N 0 3 228.336 0.996 20 0 BCADHN COC[C@H](C)CN1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000556626479 384438202 /nfs/dbraw/zinc/43/82/02/384438202.db2.gz NYIJZUYECUHEDE-FRRDWIJNSA-N 0 3 244.379 0.656 20 0 BCADHN CCN1CCN(CC[C@@H]2CCNC2=O)[C@@H](C)C1 ZINC000566423262 384438563 /nfs/dbraw/zinc/43/85/63/384438563.db2.gz COFQHIGWDMDHOU-RYUDHWBXSA-N 0 3 239.363 0.539 20 0 BCADHN CCOCCNC(=O)[C@@H](N)[C@@H](C)CC ZINC000036230201 384438722 /nfs/dbraw/zinc/43/87/22/384438722.db2.gz WJUKWQFBTWDQKQ-IUCAKERBSA-N 0 3 202.298 0.513 20 0 BCADHN C[C@@H](CNCC(C)(C)CO)S(C)(=O)=O ZINC000647516165 384457261 /nfs/dbraw/zinc/45/72/61/384457261.db2.gz RPRWYBLWPKKEFF-QMMMGPOBSA-N 0 3 223.338 0.028 20 0 BCADHN C[C@H](O)CN[C@@H](C)[C@H](O)C(F)(F)F ZINC000647514981 384443742 /nfs/dbraw/zinc/44/37/42/384443742.db2.gz KKWFSFQKIBXOIF-ZLUOBGJFSA-N 0 3 201.188 0.269 20 0 BCADHN CC[C@H](N)C(=O)N(C)Cc1cccnc1 ZINC000036871779 384461543 /nfs/dbraw/zinc/46/15/43/384461543.db2.gz BPRAQNDDSQWSPT-JTQLQIEISA-N 0 3 207.277 0.777 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@@H](O)c1cccc(F)c1 ZINC000135722577 384461743 /nfs/dbraw/zinc/46/17/43/384461743.db2.gz VLODWAFWPOCTFZ-GZMMTYOYSA-N 0 3 240.278 0.713 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)c1cccnc1 ZINC000036871707 384462918 /nfs/dbraw/zinc/46/29/18/384462918.db2.gz VQMWEQCRWJYZRU-WPRPVWTQSA-N 0 3 207.277 0.996 20 0 BCADHN CC[C@H](N)C(=O)N(C)[C@@H]1CCSC1 ZINC000036871633 384463247 /nfs/dbraw/zinc/46/32/47/384463247.db2.gz LMORRVXRTHIQAF-SFYZADRCSA-N 0 3 202.323 0.688 20 0 BCADHN CC[C@H](N)C(=O)N(C)C1CCOCC1 ZINC000036871905 384463363 /nfs/dbraw/zinc/46/33/63/384463363.db2.gz OOQUCQSKJXTOSS-VIFPVBQESA-N 0 3 200.282 0.361 20 0 BCADHN C[C@H](O)CCNCc1ccc(C(N)=O)cc1 ZINC000078781765 384465276 /nfs/dbraw/zinc/46/52/76/384465276.db2.gz 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IDHQDEDDKWVMDH-MRVPVSSYSA-N 0 3 229.280 0.666 20 0 BCADHN C[C@@H]1CCC[N@H+]1CCCOC(=O)N=C(N)[O-] ZINC000180524124 384473082 /nfs/dbraw/zinc/47/30/82/384473082.db2.gz IDHQDEDDKWVMDH-MRVPVSSYSA-N 0 3 229.280 0.666 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C(=O)OC)C(C)C ZINC000037028564 384473596 /nfs/dbraw/zinc/47/35/96/384473596.db2.gz RIPOVUPAUFRZOL-YUMQZZPRSA-N 0 3 216.281 0.038 20 0 BCADHN COc1nccc(CNC[C@H](C)N(C)C)n1 ZINC000295451140 384476300 /nfs/dbraw/zinc/47/63/00/384476300.db2.gz QFHIJWVPOXWJIO-VIFPVBQESA-N 0 3 224.308 0.525 20 0 BCADHN C[C@@H](O)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000136081183 384479055 /nfs/dbraw/zinc/47/90/55/384479055.db2.gz SJHVTBKTWKEXIN-ZYHUDNBSSA-N 0 3 236.315 0.786 20 0 BCADHN OCCN1CCN(CCC[C@@H]2CCOC2)CC1 ZINC000400565662 384481836 /nfs/dbraw/zinc/48/18/36/384481836.db2.gz NXLFWFBWBNJQLK-CYBMUJFWSA-N 0 3 242.363 0.413 20 0 BCADHN COC[C@H](C)CNCc1cncnc1OC ZINC000647175797 384486105 /nfs/dbraw/zinc/48/61/05/384486105.db2.gz HBKTWSGLXNAIIG-SECBINFHSA-N 0 3 225.292 0.857 20 0 BCADHN C[C@H](CNC(=O)c1cccc(=O)[nH]1)N(C)C1CC1 ZINC000229980321 384483085 /nfs/dbraw/zinc/48/30/85/384483085.db2.gz VYXUXIXQDJRNRN-SECBINFHSA-N 0 3 249.314 0.587 20 0 BCADHN C[C@@H](CC(=O)N(C)C)NCc1ccn(C)c1 ZINC000122455356 384483141 /nfs/dbraw/zinc/48/31/41/384483141.db2.gz QWHSAENCEDXFPF-JTQLQIEISA-N 0 3 223.320 0.982 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cc[nH]c(=O)c2)[C@H]1C ZINC000262800092 384484337 /nfs/dbraw/zinc/48/43/37/384484337.db2.gz OXLCDRUIORAOQD-BDAKNGLRSA-N 0 3 235.287 0.610 20 0 BCADHN CN(C1CC1)S(=O)(=O)N1CCNCC1(C)C ZINC000647228447 384485032 /nfs/dbraw/zinc/48/50/32/384485032.db2.gz ZKQVFOGBHXIKGM-UHFFFAOYSA-N 0 3 247.364 0.009 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCc2n[nH]cc2C1 ZINC000335658121 384458429 /nfs/dbraw/zinc/45/84/29/384458429.db2.gz VQTWUXXFJVXJLL-KCJUWKMLSA-N 0 3 236.319 0.668 20 0 BCADHN CC[C@@H](N[C@@H]1CCOC1(C)C)C(N)=O ZINC000336888261 384497704 /nfs/dbraw/zinc/49/77/04/384497704.db2.gz DZHVVBMZHRTCKW-HTQZYQBOSA-N 0 3 200.282 0.407 20 0 BCADHN CC[C@H](N[C@@H]1CCOC1(C)C)C(N)=O ZINC000336888262 384498310 /nfs/dbraw/zinc/49/83/10/384498310.db2.gz DZHVVBMZHRTCKW-JGVFFNPUSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C)CCN1C ZINC000357410993 384498476 /nfs/dbraw/zinc/49/84/76/384498476.db2.gz JOVSNKZHUWBVRA-WOPDTQHZSA-N 0 3 239.363 0.680 20 0 BCADHN NC(C(=O)N[C@@H]1CC12CC2)C(F)(F)F ZINC000335030780 384500025 /nfs/dbraw/zinc/50/00/25/384500025.db2.gz RQNCZKULKHRLFN-UHNVWZDZSA-N 0 3 208.183 0.545 20 0 BCADHN C=Cn1cc(CNCC2(O)CCOCC2)cn1 ZINC000236488972 384502169 /nfs/dbraw/zinc/50/21/69/384502169.db2.gz QIRTUCYAXMWPHJ-UHFFFAOYSA-N 0 3 237.303 0.615 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2C[C@H](C)OC[C@@H]2C)C1 ZINC000561113538 384502277 /nfs/dbraw/zinc/50/22/77/384502277.db2.gz LHSMJGHCXVKFDH-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCCOC ZINC000037481328 384502577 /nfs/dbraw/zinc/50/25/77/384502577.db2.gz HNLJJSBRWXJZCX-SNVBAGLBSA-N 0 3 202.298 0.657 20 0 BCADHN COC(=O)[C@](C)(O)CN(C(C)C)[C@@H]1CCOC1 ZINC000361417796 384505203 /nfs/dbraw/zinc/50/52/03/384505203.db2.gz YNSZRVHXDVQVCE-ZYHUDNBSSA-N 0 3 245.319 0.410 20 0 BCADHN COC(=O)[C@](C)(O)CN(C(C)C)[C@H]1CCOC1 ZINC000361417766 384506397 /nfs/dbraw/zinc/50/63/97/384506397.db2.gz YNSZRVHXDVQVCE-CMPLNLGQSA-N 0 3 245.319 0.410 20 0 BCADHN COCC[C@@H](C)NC1CN(C(=O)OC)C1 ZINC000181462113 384507407 /nfs/dbraw/zinc/50/74/07/384507407.db2.gz DIQUKJXAXBODEL-MRVPVSSYSA-N 0 3 216.281 0.452 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC[C@H]1CC(C)C ZINC000353154465 384508726 /nfs/dbraw/zinc/50/87/26/384508726.db2.gz RTYNFIYSFOOIMY-QWRGUYRKSA-N 0 3 228.336 0.997 20 0 BCADHN COc1c(CNC[C@H](C)CO)c(C)nn1C ZINC000136357187 384491609 /nfs/dbraw/zinc/49/16/09/384491609.db2.gz WDIHSKNRVYEGAV-QMMMGPOBSA-N 0 3 227.308 0.455 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@](CC)(CO)C1 ZINC000249599128 384511264 /nfs/dbraw/zinc/51/12/64/384511264.db2.gz XSKVIWGIVCKXFF-JQWIXIFHSA-N 0 3 228.336 0.735 20 0 BCADHN COC[C@H](O)CN1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000249160250 384493236 /nfs/dbraw/zinc/49/32/36/384493236.db2.gz ZQDLLNHGRPPQPT-HBNTYKKESA-N 0 3 245.319 0.125 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C)CCN1C ZINC000357410977 384493863 /nfs/dbraw/zinc/49/38/63/384493863.db2.gz JOVSNKZHUWBVRA-IJLUTSLNSA-N 0 3 239.363 0.680 20 0 BCADHN C[C@H](O)CCN(C)C(=O)NC[C@H]1CCCN1C ZINC000151039321 384535843 /nfs/dbraw/zinc/53/58/43/384535843.db2.gz XOZYCNQLTDQJNC-WDEREUQCSA-N 0 3 243.351 0.493 20 0 BCADHN NC[C@@H]1c2ccccc2CCN1CCO ZINC000082640163 384515478 /nfs/dbraw/zinc/51/54/78/384515478.db2.gz ISUDOLMPVIUMJK-GFCCVEGCSA-N 0 3 206.289 0.537 20 0 BCADHN CCNC(=O)NC(=O)CN1CCC[C@@H]1C(C)C ZINC000049077611 384517049 /nfs/dbraw/zinc/51/70/49/384517049.db2.gz UCHMWNMZFNCUTR-SNVBAGLBSA-N 0 3 241.335 0.953 20 0 BCADHN CCC1(CO)CCN(C(=O)[C@@H](C)N)CC1 ZINC000158126859 384518724 /nfs/dbraw/zinc/51/87/24/384518724.db2.gz KKXZFFSLJCPKLH-SECBINFHSA-N 0 3 214.309 0.345 20 0 BCADHN C[C@@H](O)[C@H]1CCCN(CCn2cncn2)C1 ZINC000533538760 384519362 /nfs/dbraw/zinc/51/93/62/384519362.db2.gz FEACZEQZLBZPKY-MNOVXSKESA-N 0 3 224.308 0.371 20 0 BCADHN C[C@@H](C(N)=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000372604734 384519561 /nfs/dbraw/zinc/51/95/61/384519561.db2.gz PMQPGLFLFLYJQA-NWDGAFQWSA-N 0 3 239.363 0.811 20 0 BCADHN C[C@H](CCO)CNCc1cccc(C(N)=O)c1 ZINC000097439503 384520868 /nfs/dbraw/zinc/52/08/68/384520868.db2.gz DDTZHNYCCHBFFA-SNVBAGLBSA-N 0 3 236.315 0.894 20 0 BCADHN CCN(CC)S(=O)(=O)N1C[C@H](C)NC[C@H]1C ZINC000249825092 384521416 /nfs/dbraw/zinc/52/14/16/384521416.db2.gz MWXDLBYYFZHJGL-VHSXEESVSA-N 0 3 249.380 0.255 20 0 BCADHN C[C@@H]1CN(CCN2C(=O)CCC2=O)CCCO1 ZINC000170774746 384522105 /nfs/dbraw/zinc/52/21/05/384522105.db2.gz POLZTIBGTFEAJK-SNVBAGLBSA-N 0 3 240.303 0.246 20 0 BCADHN CO[C@H](C)CN(C)[C@H]1CCCN(C)C1=O ZINC000556849467 384523700 /nfs/dbraw/zinc/52/37/00/384523700.db2.gz VTKVDMAQNVRYFM-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN CN(CCOC[C@H]1CCCO1)C1(CO)CC1 ZINC000556846301 384523994 /nfs/dbraw/zinc/52/39/94/384523994.db2.gz DIOCIDBTOYGQJC-LLVKDONJSA-N 0 3 229.320 0.639 20 0 BCADHN COC(=O)[C@H](C)CN(C)C[C@H]1CCCO1 ZINC000249739428 384523937 /nfs/dbraw/zinc/52/39/37/384523937.db2.gz XHOXRXHPENPUCY-NXEZZACHSA-N 0 3 215.293 0.906 20 0 BCADHN CN(CCOC[C@@H]1CCCO1)C1(CO)CC1 ZINC000556846302 384524922 /nfs/dbraw/zinc/52/49/22/384524922.db2.gz DIOCIDBTOYGQJC-NSHDSACASA-N 0 3 229.320 0.639 20 0 BCADHN Cn1ncc2c1CCC[C@H]2NC(=O)C1(N)CCC1 ZINC000147751232 384527726 /nfs/dbraw/zinc/52/77/26/384527726.db2.gz IYQMAAGGUFUAAM-SNVBAGLBSA-N 0 3 248.330 0.795 20 0 BCADHN COc1ncncc1CNC[C@H](C)N(C)C ZINC000647179726 384532358 /nfs/dbraw/zinc/53/23/58/384532358.db2.gz MKKHIWWOJLVYSQ-VIFPVBQESA-N 0 3 224.308 0.525 20 0 BCADHN CCN(CC)C(=O)C[C@H]1CSCCN1 ZINC000085612355 384543411 /nfs/dbraw/zinc/54/34/11/384543411.db2.gz XIFXBOFDGUMUQC-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN CC[C@@H](C)NC(=O)C[C@H]1CSCCN1 ZINC000085612418 384544156 /nfs/dbraw/zinc/54/41/56/384544156.db2.gz NTHGOCOIINIMAS-BDAKNGLRSA-N 0 3 216.350 0.996 20 0 BCADHN CC[C@H](C)NC(=O)C[C@@H]1CSCCN1 ZINC000085612415 384544886 /nfs/dbraw/zinc/54/48/86/384544886.db2.gz NTHGOCOIINIMAS-DTWKUNHWSA-N 0 3 216.350 0.996 20 0 BCADHN O=C(C[C@@H]1CNCCO1)NCC(F)(F)F ZINC000085618961 384545698 /nfs/dbraw/zinc/54/56/98/384545698.db2.gz NZINQTBQBBNTMG-ZCFIWIBFSA-N 0 3 226.198 0.043 20 0 BCADHN CCN(CCO)CCNC(=O)c1cccs1 ZINC000183974494 384545924 /nfs/dbraw/zinc/54/59/24/384545924.db2.gz CKZQMGOUJIUUSQ-UHFFFAOYSA-N 0 3 242.344 0.792 20 0 BCADHN O=C(C[C@H]1CNCCO1)NCC1CCC1 ZINC000085619172 384546663 /nfs/dbraw/zinc/54/66/63/384546663.db2.gz KAGZRENCDBMOAR-JTQLQIEISA-N 0 3 212.293 0.281 20 0 BCADHN Cc1ocnc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262818481 384548412 /nfs/dbraw/zinc/54/84/12/384548412.db2.gz SDPSJMFWPPNRDN-JGVFFNPUSA-N 0 3 223.276 0.805 20 0 BCADHN CC(C)N(C)CC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000151187055 384550199 /nfs/dbraw/zinc/55/01/99/384550199.db2.gz DYGYLTKSLFFPJY-LBPRGKRZSA-N 0 3 241.379 0.879 20 0 BCADHN CC(C)(C)[C@H](CCO)NCC(=O)N1CCCC1 ZINC000183668759 384551095 /nfs/dbraw/zinc/55/10/95/384551095.db2.gz WWVFHUKCBQXJAI-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)[C@@H](N)c1cn(Cc2nccn2C)nn1 ZINC000305970264 384559429 /nfs/dbraw/zinc/55/94/29/384559429.db2.gz YPWDELSOCFSGDD-LLVKDONJSA-N 0 3 234.307 0.716 20 0 BCADHN Cc1cnc(CNC[C@H]2CC[C@H](O)C2)n1C ZINC000309726692 384559753 /nfs/dbraw/zinc/55/97/53/384559753.db2.gz YEINDEZDNRICKM-QWRGUYRKSA-N 0 3 223.320 0.979 20 0 BCADHN Cc1cnc(CNCCN2CCCC2)n1C ZINC000309728547 384559936 /nfs/dbraw/zinc/55/99/36/384559936.db2.gz YWLGKGRWZQRXPA-UHFFFAOYSA-N 0 3 222.336 0.914 20 0 BCADHN CO[C@@H]1CN(Cc2cccc3c[nH]nc32)C[C@H]1O ZINC000449569091 384559925 /nfs/dbraw/zinc/55/99/25/384559925.db2.gz AAOOKOFTNAVDKG-VXGBXAGGSA-N 0 3 247.298 0.754 20 0 BCADHN Cc1cnc(CNC[C@@H]2CC[C@H](O)C2)n1C ZINC000309726691 384560610 /nfs/dbraw/zinc/56/06/10/384560610.db2.gz YEINDEZDNRICKM-MNOVXSKESA-N 0 3 223.320 0.979 20 0 BCADHN COC(=O)C1(CNCc2cncnc2)CC1 ZINC000188684323 384538055 /nfs/dbraw/zinc/53/80/55/384538055.db2.gz NEGIHDHPKBTBPX-UHFFFAOYSA-N 0 3 221.260 0.519 20 0 BCADHN CC(=O)Nc1ccccc1CNCCO ZINC000085573059 384538637 /nfs/dbraw/zinc/53/86/37/384538637.db2.gz IVRMSDDVBQGUJD-UHFFFAOYSA-N 0 3 208.261 0.727 20 0 BCADHN Cn1ccc(CNCCCS(C)(=O)=O)c1 ZINC000085590904 384539338 /nfs/dbraw/zinc/53/93/38/384539338.db2.gz XTTNMMVHBSROES-UHFFFAOYSA-N 0 3 230.333 0.549 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NC[C@@](C)(O)CCN(C)C ZINC000642947661 384568065 /nfs/dbraw/zinc/56/80/65/384568065.db2.gz FRYOAVRUAIHREY-NHCYSSNCSA-N 0 3 228.336 0.461 20 0 BCADHN CN(C)CCCNC(=O)C(=O)c1ccccc1 ZINC000049826752 384572715 /nfs/dbraw/zinc/57/27/15/384572715.db2.gz AXNWQBQTSPYBMO-UHFFFAOYSA-N 0 3 234.299 0.937 20 0 BCADHN COc1ncncc1CNC[C@@](C)(O)C(C)C ZINC000647182811 384574101 /nfs/dbraw/zinc/57/41/01/384574101.db2.gz VBRSZPUWCZJLJE-GFCCVEGCSA-N 0 3 239.319 0.982 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](CN)OC)C(C)(C)C ZINC000309757295 384577937 /nfs/dbraw/zinc/57/79/37/384577937.db2.gz HUPKICDOHQSDRP-RKDXNWHRSA-N 0 3 216.325 0.901 20 0 BCADHN CCN(CC)CCNS(=O)(=O)CC1CC1 ZINC000531117288 384578084 /nfs/dbraw/zinc/57/80/84/384578084.db2.gz KMYHRRSGDCJTES-UHFFFAOYSA-N 0 3 234.365 0.658 20 0 BCADHN CN(C)C1(CN(C)C(=O)c2nc[nH]n2)CCC1 ZINC000097935613 384578342 /nfs/dbraw/zinc/57/83/42/384578342.db2.gz SIXRBYLSJQXXQH-UHFFFAOYSA-N 0 3 237.307 0.361 20 0 BCADHN CCCN(C)CC(=O)N1CC(CCOC)C1 ZINC000644764609 384590985 /nfs/dbraw/zinc/59/09/85/384590985.db2.gz OCOPPPNOHJFBLE-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000236832548 384584901 /nfs/dbraw/zinc/58/49/01/384584901.db2.gz HCSLEXQJFGVPLL-JQWIXIFHSA-N 0 3 226.320 0.753 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000236831901 384586108 /nfs/dbraw/zinc/58/61/08/384586108.db2.gz HCSLEXQJFGVPLL-CMPLNLGQSA-N 0 3 226.320 0.753 20 0 BCADHN CC(C)CNC(=O)CN[C@H](CO)C(C)C ZINC000086124579 384603897 /nfs/dbraw/zinc/60/38/97/384603897.db2.gz QQRUHBSFJLOFQG-SNVBAGLBSA-N 0 3 216.325 0.365 20 0 BCADHN CC1CC(N[C@@H]2CCS(=O)(=O)[C@@H]2C)C1 ZINC000306310445 384605275 /nfs/dbraw/zinc/60/52/75/384605275.db2.gz ISMIREITRFGRFQ-QLVNRRSVSA-N 0 3 217.334 0.950 20 0 BCADHN C[C@@H](CNCCC1(CO)CC1)S(C)(=O)=O ZINC000647530231 384608874 /nfs/dbraw/zinc/60/88/74/384608874.db2.gz CMWOYVPMPMUKMX-VIFPVBQESA-N 0 3 235.349 0.172 20 0 BCADHN Cc1c[nH]nc1CNC[C@H]1CC[C@H](O)C1 ZINC000289532897 384612806 /nfs/dbraw/zinc/61/28/06/384612806.db2.gz OSCLSFYGAZNHJM-UWVGGRQHSA-N 0 3 209.293 0.969 20 0 BCADHN CCC(=O)N(CCN(C)C)CCN(C)C ZINC000531118694 384619889 /nfs/dbraw/zinc/61/98/89/384619889.db2.gz ODCWKCIFXREZGX-UHFFFAOYSA-N 0 3 215.341 0.348 20 0 BCADHN C[C@@H](NCc1cn(C)nn1)[C@H]1CCCOC1 ZINC000309799267 384619963 /nfs/dbraw/zinc/61/99/63/384619963.db2.gz QUVLQQZGNXVMAF-ZJUUUORDSA-N 0 3 224.308 0.720 20 0 BCADHN C[C@@H](CO)[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC000561286836 384622049 /nfs/dbraw/zinc/62/20/49/384622049.db2.gz NEQPQNPBHBASQA-VWYCJHECSA-N 0 3 228.336 0.461 20 0 BCADHN COC(C)(C)C(=O)NC[C@H]1CCCN1C ZINC000171666131 384625232 /nfs/dbraw/zinc/62/52/32/384625232.db2.gz JHAUKBSKKMDQNQ-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](NC[C@@H](O)CN(C)C)c1ccco1 ZINC000037890660 384628286 /nfs/dbraw/zinc/62/82/86/384628286.db2.gz RUCBMYHIAGWWLV-NXEZZACHSA-N 0 3 212.293 0.853 20 0 BCADHN COc1ncncc1CN[C@@H](CCO)C(C)C ZINC000647187159 384629827 /nfs/dbraw/zinc/62/98/27/384629827.db2.gz FJHXBEWJCOJGOF-NSHDSACASA-N 0 3 239.319 0.982 20 0 BCADHN OC[C@@H]1CC[C@H](CNC[C@@H](O)C(F)(F)F)O1 ZINC000647527282 384592662 /nfs/dbraw/zinc/59/26/62/384592662.db2.gz IMQMVAGSJUMRKU-GJMOJQLCSA-N 0 3 243.225 0.039 20 0 BCADHN CN(C(=O)CN1CCC[C@@H](O)CC1)C1CC1 ZINC000334885293 384594521 /nfs/dbraw/zinc/59/45/21/384594521.db2.gz WMNRCJOSTXGPPQ-LLVKDONJSA-N 0 3 226.320 0.454 20 0 BCADHN COc1ncncc1CN[C@H](C)[C@@H]1CCOC1 ZINC000647187114 384632060 /nfs/dbraw/zinc/63/20/60/384632060.db2.gz DHGPZGLARDCIKU-NXEZZACHSA-N 0 3 237.303 1.000 20 0 BCADHN CC[C@H](NC[C@H](O)CN(C)C)c1cnn(C)c1 ZINC000154247741 384598067 /nfs/dbraw/zinc/59/80/67/384598067.db2.gz SATAKMOHDQYRBV-RYUDHWBXSA-N 0 3 240.351 0.383 20 0 BCADHN Cc1c(CN[C@H]2CCCOC2)cnn1C ZINC000086552095 384663470 /nfs/dbraw/zinc/66/34/70/384663470.db2.gz UFCSCYNJAALHCS-NSHDSACASA-N 0 3 209.293 0.997 20 0 BCADHN CC[C@@H]1CN(C[C@H]2CN(C)C(=O)O2)CCCO1 ZINC000497174482 384666355 /nfs/dbraw/zinc/66/63/55/384666355.db2.gz BDIOHZZBQCNMNN-GHMZBOCLSA-N 0 3 242.319 0.938 20 0 BCADHN CCn1cncc1CNCCCc1ncn(C)n1 ZINC000647231721 384667576 /nfs/dbraw/zinc/66/75/76/384667576.db2.gz MCTXVXNHYZMWFA-UHFFFAOYSA-N 0 3 248.334 0.754 20 0 BCADHN C[C@@H]1C[C@@H](NCC2(CS(C)(=O)=O)CC2)CO1 ZINC000647189352 384668532 /nfs/dbraw/zinc/66/85/32/384668532.db2.gz QJLFZWOXPFWLCN-NXEZZACHSA-N 0 3 247.360 0.578 20 0 BCADHN C[C@@H]1C[C@@H](N[C@@H]2CC(=O)N(C3CC3)C2)CO1 ZINC000647189477 384671679 /nfs/dbraw/zinc/67/16/79/384671679.db2.gz XNXPIHJJPIBHMO-OPRDCNLKSA-N 0 3 224.304 0.517 20 0 BCADHN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)CNC ZINC000236860215 384673750 /nfs/dbraw/zinc/67/37/50/384673750.db2.gz IWAFMZUEBVPIMR-VHSXEESVSA-N 0 3 228.336 0.916 20 0 BCADHN CN(CCCS(N)(=O)=O)Cc1ccccc1 ZINC000068454926 384634587 /nfs/dbraw/zinc/63/45/87/384634587.db2.gz UPJUYIRGESPFKV-UHFFFAOYSA-N 0 3 242.344 0.797 20 0 BCADHN CCOC(=O)CN1CCN(CC2CC2)CC1 ZINC000042338193 384637370 /nfs/dbraw/zinc/63/73/70/384637370.db2.gz QBHGWOHSMKDKSG-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN CCCCCNC(=O)CCOC1CNC1 ZINC000309820837 384638550 /nfs/dbraw/zinc/63/85/50/384638550.db2.gz FHTBHTAUBNHTOA-UHFFFAOYSA-N 0 3 214.309 0.671 20 0 BCADHN C[C@@H](Cn1cccn1)N[C@@H](C)CS(C)(=O)=O ZINC000081900414 384638760 /nfs/dbraw/zinc/63/87/60/384638760.db2.gz SJOJPSRKSIYRMF-UWVGGRQHSA-N 0 3 245.348 0.294 20 0 BCADHN CN(C[C@@H]1CCCCO1)C(=O)CNC1CC1 ZINC000042466137 384641491 /nfs/dbraw/zinc/64/14/91/384641491.db2.gz ADUSLOZEWPWSDO-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN COCC[C@@H](C)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000556907889 384642544 /nfs/dbraw/zinc/64/25/44/384642544.db2.gz DVIPKSYWTPKMKW-UTLUCORTSA-N 0 3 235.349 0.577 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ncccc1OC ZINC000566470663 384646942 /nfs/dbraw/zinc/64/69/42/384646942.db2.gz NZQSPBRFPIBTDA-ZETCQYMHSA-N 0 3 209.249 0.637 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCCCO2)C1 ZINC000561314848 384650142 /nfs/dbraw/zinc/65/01/42/384650142.db2.gz DDQUVAZWAGPXRC-JTQLQIEISA-N 0 3 212.293 0.882 20 0 BCADHN CN(CCN(C)C1CC1)c1nccn(C)c1=O ZINC000184786223 384650498 /nfs/dbraw/zinc/65/04/98/384650498.db2.gz PLAXBMGSLQQQOA-UHFFFAOYSA-N 0 3 236.319 0.311 20 0 BCADHN Cc1n[nH]cc1CNCCn1ccnc1 ZINC000041043106 384651152 /nfs/dbraw/zinc/65/11/52/384651152.db2.gz KTCGMQGTTAOIGL-UHFFFAOYSA-N 0 3 205.265 0.704 20 0 BCADHN COC(=O)Cc1ccc(NC(=O)[C@H](C)N)cc1 ZINC000082255849 384652857 /nfs/dbraw/zinc/65/28/57/384652857.db2.gz VISSFCINQIYSMM-QMMMGPOBSA-N 0 3 236.271 0.688 20 0 BCADHN CC(C)(CO)CNCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000258744424 384653424 /nfs/dbraw/zinc/65/34/24/384653424.db2.gz FWPKGSPFKBTMBJ-UHFFFAOYSA-N 0 3 249.314 0.964 20 0 BCADHN CN(C)c1ccc(C(=O)N2CCCNCC2)cn1 ZINC000082271960 384656136 /nfs/dbraw/zinc/65/61/36/384656136.db2.gz BZQWSTVJODHWPC-UHFFFAOYSA-N 0 3 248.330 0.583 20 0 BCADHN COCCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000176485928 384658190 /nfs/dbraw/zinc/65/81/90/384658190.db2.gz ZPNFFMXPVFQNFL-UWVGGRQHSA-N 0 3 241.335 0.557 20 0 BCADHN CC(C)(O)CNCc1cc(C(N)=O)cs1 ZINC000086573771 384662333 /nfs/dbraw/zinc/66/23/33/384662333.db2.gz VIKIROKAYJBBDY-UHFFFAOYSA-N 0 3 228.317 0.708 20 0 BCADHN COc1cc(C)nc(CNCCCO)c1 ZINC000125959589 384723853 /nfs/dbraw/zinc/72/38/53/384723853.db2.gz BAFWCWJLIGBFDK-UHFFFAOYSA-N 0 3 210.277 0.871 20 0 BCADHN CCN(CCNC(=O)NCC(C)(C)O)C1CC1 ZINC000108571162 384725000 /nfs/dbraw/zinc/72/50/00/384725000.db2.gz SXMDLBGCXHVJBW-UHFFFAOYSA-N 0 3 243.351 0.541 20 0 BCADHN Nc1ncc(CN2CCC[C@H](CO)C2)s1 ZINC000086765559 384683694 /nfs/dbraw/zinc/68/36/94/384683694.db2.gz BNURDEUUVHZWNC-QMMMGPOBSA-N 0 3 227.333 0.930 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C1(O)CCSCC1 ZINC000408120786 384687148 /nfs/dbraw/zinc/68/71/48/384687148.db2.gz ITZAKZZTWBCLSH-VIFPVBQESA-N 0 3 246.376 0.311 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCO[C@H](C)C1 ZINC000300359135 384687878 /nfs/dbraw/zinc/68/78/78/384687878.db2.gz NAXFQGGYGHGUSA-AXFHLTTASA-N 0 3 249.376 0.967 20 0 BCADHN Cc1nnccc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000533577697 384692416 /nfs/dbraw/zinc/69/24/16/384692416.db2.gz OQKPWIWJZYWLEG-JTQLQIEISA-N 0 3 234.303 0.467 20 0 BCADHN CN(CC(=O)N(C)C)C[C@H]1CCOC1 ZINC000047707009 384692746 /nfs/dbraw/zinc/69/27/46/384692746.db2.gz RPUYWIFASGJRPU-SECBINFHSA-N 0 3 200.282 0.043 20 0 BCADHN CN(CC(=O)NC(C)(C)C)C[C@H]1CCOC1 ZINC000047707183 384693359 /nfs/dbraw/zinc/69/33/59/384693359.db2.gz WTYSTJRYVWLTPT-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)Cn1nccc1CNCCc1nnc[nH]1 ZINC000647190132 384693453 /nfs/dbraw/zinc/69/34/53/384693453.db2.gz JNZZLUIQIHGSGC-UHFFFAOYSA-N 0 3 248.334 0.990 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)[C@@H](N)C(C)(C)C ZINC000236867479 384695086 /nfs/dbraw/zinc/69/50/86/384695086.db2.gz PAIKGDZXWDCCHM-OPRDCNLKSA-N 0 3 230.352 0.883 20 0 BCADHN CO[C@@H]1CCCN([C@H](C)C(=O)N(C)C)CC1 ZINC000363690862 384695616 /nfs/dbraw/zinc/69/56/16/384695616.db2.gz OGYKKBYEOSHIOX-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN CO[C@@H](C)CN1CCNC(=O)C[C@@H]1C ZINC000363687525 384695680 /nfs/dbraw/zinc/69/56/80/384695680.db2.gz JYBZUOCVFNHWSV-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN CNCC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000082613082 384696470 /nfs/dbraw/zinc/69/64/70/384696470.db2.gz XIBPSPOHNKXJNR-UHFFFAOYSA-N 0 3 249.270 0.200 20 0 BCADHN C[C@H](NCCCC(=O)N(C)C)c1cnccn1 ZINC000358216897 384697274 /nfs/dbraw/zinc/69/72/74/384697274.db2.gz HUIIAPZMGCNGJE-JTQLQIEISA-N 0 3 236.319 0.996 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc(CCO)cc1 ZINC000050464538 384697939 /nfs/dbraw/zinc/69/79/39/384697939.db2.gz LPQJINWXUOVTMY-WDEREUQCSA-N 0 3 220.272 0.507 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000307441389 384698430 /nfs/dbraw/zinc/69/84/30/384698430.db2.gz NIKJVYJGHJCTPU-JQCXWYLXSA-N 0 3 200.282 0.406 20 0 BCADHN C[C@@H]1[C@H](C)N(CCN2CCOCC2)CCN1C ZINC000357001822 384702012 /nfs/dbraw/zinc/70/20/12/384702012.db2.gz MUUPVKUFIFNHMM-OLZOCXBDSA-N 0 3 241.379 0.343 20 0 BCADHN Cc1ccc(OCCNC(=O)CN)cc1 ZINC000041217424 384702988 /nfs/dbraw/zinc/70/29/88/384702988.db2.gz ORZLTNYJTPHDRZ-UHFFFAOYSA-N 0 3 208.261 0.449 20 0 BCADHN C[NH+](C)C[C@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000111740055 384704019 /nfs/dbraw/zinc/70/40/19/384704019.db2.gz KIHKBVFKUYJENH-LLVKDONJSA-N 0 3 249.314 0.953 20 0 BCADHN C[C@@H]1C[C@@H](NCc2ccc(C(N)=O)nc2)CO1 ZINC000647190550 384707768 /nfs/dbraw/zinc/70/77/68/384707768.db2.gz FEDYHMCCEGWXAU-PSASIEDQSA-N 0 3 235.287 0.448 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCOC1)N(C)C1CC1 ZINC000068195920 384707967 /nfs/dbraw/zinc/70/79/67/384707967.db2.gz LBWWEAAMBKGLAW-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1C[C@@H](NCc2ccc(C(N)=O)nc2)CO1 ZINC000647190552 384708147 /nfs/dbraw/zinc/70/81/47/384708147.db2.gz FEDYHMCCEGWXAU-WCBMZHEXSA-N 0 3 235.287 0.448 20 0 BCADHN CCOCCNC(=O)CN[C@@H]1CSC[C@@H]1C ZINC000309907170 384711013 /nfs/dbraw/zinc/71/10/13/384711013.db2.gz KYHYTXOIDCUDIR-VHSXEESVSA-N 0 3 246.376 0.480 20 0 BCADHN CC[C@@H](C(=O)NCCn1cccc1)N(C)C ZINC000125363797 384714171 /nfs/dbraw/zinc/71/41/71/384714171.db2.gz UHCHRQUSFXXEHQ-NSHDSACASA-N 0 3 223.320 0.945 20 0 BCADHN C[C@@H]1C[C@H](O)CN1Cc1ccc(C(N)=O)cc1 ZINC000335935257 384717932 /nfs/dbraw/zinc/71/79/32/384717932.db2.gz XUPUBJOKMKCHEA-SKDRFNHKSA-N 0 3 234.299 0.741 20 0 BCADHN Cc1ccccc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000556973684 384722123 /nfs/dbraw/zinc/72/21/23/384722123.db2.gz RJXMCJBSQSSBSG-STQMWFEESA-N 0 3 248.326 0.742 20 0 BCADHN Cc1ccc([O-])c(C(=O)N[C@@H](C)C[NH3+])c1 ZINC000082577166 384774550 /nfs/dbraw/zinc/77/45/50/384774550.db2.gz SPMUIBZOJASGGW-QMMMGPOBSA-N 0 3 208.261 0.778 20 0 BCADHN O=C(c1cnc(C2CC2)[nH]1)N1CCNCC1 ZINC000082643116 384774607 /nfs/dbraw/zinc/77/46/07/384774607.db2.gz QDWWWWPYXUTJHI-UHFFFAOYSA-N 0 3 220.276 0.333 20 0 BCADHN NCC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000083908639 384774860 /nfs/dbraw/zinc/77/48/60/384774860.db2.gz ZLBNYLDZROUUMC-SNVBAGLBSA-N 0 3 208.236 0.888 20 0 BCADHN Cc1ncncc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000105327767 384775142 /nfs/dbraw/zinc/77/51/42/384775142.db2.gz QSQLKRDLTNENMH-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN CN(C(=O)c1ccc(=O)[nH]c1)[C@@H]1CCCN(C)C1 ZINC000053247298 384775773 /nfs/dbraw/zinc/77/57/73/384775773.db2.gz NQVUFCKGKMRDQF-LLVKDONJSA-N 0 3 249.314 0.541 20 0 BCADHN C[C@H]1CN(C)CCN1C(=O)[C@@H](N)C1CCC1 ZINC000335028465 384776439 /nfs/dbraw/zinc/77/64/39/384776439.db2.gz LEYFCGXRRUNIMB-ONGXEEELSA-N 0 3 225.336 0.276 20 0 BCADHN C[C@@H]1CN(C)CCN1C(=O)[C@@H](N)C1CCC1 ZINC000335028463 384777551 /nfs/dbraw/zinc/77/75/51/384777551.db2.gz LEYFCGXRRUNIMB-KOLCDFICSA-N 0 3 225.336 0.276 20 0 BCADHN CCc1ccc(CN[C@H](C)CC(N)=O)cn1 ZINC000309929381 384729944 /nfs/dbraw/zinc/72/99/44/384729944.db2.gz XBVJGHYVFCKXPW-SECBINFHSA-N 0 3 221.304 0.998 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cccc(C)n1 ZINC000054076940 384731241 /nfs/dbraw/zinc/73/12/41/384731241.db2.gz QOWLHTDNDRLXJH-VIFPVBQESA-N 0 3 207.277 0.614 20 0 BCADHN Cn1cc([C@@H]2CCN([C@@H]3CCOC3)C2)cn1 ZINC000271438899 384736839 /nfs/dbraw/zinc/73/68/39/384736839.db2.gz RLYZVHSAALLERW-ZYHUDNBSSA-N 0 3 221.304 0.998 20 0 BCADHN Cc1cc(C(=O)N2C[C@H](C)NC[C@H]2C)no1 ZINC000083118303 384742427 /nfs/dbraw/zinc/74/24/27/384742427.db2.gz IGWOOHYXUTYWRT-JGVFFNPUSA-N 0 3 223.276 0.805 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1O ZINC000536366819 384746150 /nfs/dbraw/zinc/74/61/50/384746150.db2.gz ZPQOQLZMPHXWLN-SRVKXCTJSA-N 0 3 242.363 0.802 20 0 BCADHN C[C@](N)(C(=O)N1CCCNCC1)c1ccccc1 ZINC000052881591 384753599 /nfs/dbraw/zinc/75/35/99/384753599.db2.gz YIHJEZMXJXBMRH-CQSZACIVSA-N 0 3 247.342 0.682 20 0 BCADHN C[C@@H](CNC(=O)[C@](C)(N)c1ccccc1)N(C)C ZINC000052882399 384753879 /nfs/dbraw/zinc/75/38/79/384753879.db2.gz TVYWURHOODISPO-SMDDNHRTSA-N 0 3 249.358 0.927 20 0 BCADHN C[C@H](N[C@@H]1CSC[C@H]1C)C(=O)N(C)C ZINC000308525815 384780022 /nfs/dbraw/zinc/78/00/22/384780022.db2.gz IVBMJESDALFBML-HRDYMLBCSA-N 0 3 216.350 0.804 20 0 BCADHN COC(C)(C)[C@@H](C)N[C@H](C)C(=O)NCCF ZINC000309977165 384759852 /nfs/dbraw/zinc/75/98/52/384759852.db2.gz UEPGXTOTXCMIDV-RKDXNWHRSA-N 0 3 234.315 0.864 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@H]2CCCNC2=O)C1(C)C ZINC000309984330 384763845 /nfs/dbraw/zinc/76/38/45/384763845.db2.gz XQGRXALCEBVMPX-IVZWLZJFSA-N 0 3 226.320 0.668 20 0 BCADHN COc1ccc(CNC(=O)C2(N)CC2)cc1F ZINC000083365550 384764384 /nfs/dbraw/zinc/76/43/84/384764384.db2.gz WSGVWTVFPOJYDU-UHFFFAOYSA-N 0 3 238.262 0.942 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C)[C@H]1C ZINC000248325694 384772210 /nfs/dbraw/zinc/77/22/10/384772210.db2.gz BLLRMSCITBZMGO-BBBLOLIVSA-N 0 3 241.335 0.951 20 0 BCADHN Cc1cc(C)c(CNC(=O)C(C)(C)N)c(=O)[nH]1 ZINC000083909557 384816350 /nfs/dbraw/zinc/81/63/50/384816350.db2.gz RLTAGHDQHYVUFR-UHFFFAOYSA-N 0 3 237.303 0.345 20 0 BCADHN Cc1noc(C)c1CCNC(=O)C(C)(C)N ZINC000083909150 384816579 /nfs/dbraw/zinc/81/65/79/384816579.db2.gz YXYUMGLBDRCGMR-UHFFFAOYSA-N 0 3 225.292 0.687 20 0 BCADHN CO[C@@H]1[C@@H](C)[C@@H](NCC(N)=O)C1(C)C ZINC000308567029 384817535 /nfs/dbraw/zinc/81/75/35/384817535.db2.gz BAMFCHDWFQLSRZ-NBEYISGCSA-N 0 3 200.282 0.121 20 0 BCADHN CNCC(=O)NCc1cn2c(n1)CCCC2 ZINC000083935044 384817654 /nfs/dbraw/zinc/81/76/54/384817654.db2.gz HHZCMRYLFUSQME-UHFFFAOYSA-N 0 3 222.292 0.055 20 0 BCADHN COC1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000335654381 384819956 /nfs/dbraw/zinc/81/99/56/384819956.db2.gz UVAVLGISVIVLLQ-NSHDSACASA-N 0 3 226.320 0.751 20 0 BCADHN CNCC(=O)NC1CCN(c2ccccc2)CC1 ZINC000083939340 384821201 /nfs/dbraw/zinc/82/12/01/384821201.db2.gz VMAIQHWYTAWJDW-UHFFFAOYSA-N 0 3 247.342 0.991 20 0 BCADHN COCC[C@H](CO)N[C@H]1CCCc2n[nH]cc21 ZINC000375838597 384822249 /nfs/dbraw/zinc/82/22/49/384822249.db2.gz JWAQMHZETOSNGV-KOLCDFICSA-N 0 3 239.319 0.774 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000390024889 384824240 /nfs/dbraw/zinc/82/42/40/384824240.db2.gz XLVCDQYQOSKRMP-SNVBAGLBSA-N 0 3 235.287 0.611 20 0 BCADHN COC[C@H](O)CN1CCS[C@@H](C)[C@@H]1C ZINC000126950042 384826298 /nfs/dbraw/zinc/82/62/98/384826298.db2.gz KBCPKPYDPRZBAB-LPEHRKFASA-N 0 3 219.350 0.820 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NCCCn1cccn1 ZINC000310091836 384829461 /nfs/dbraw/zinc/82/94/61/384829461.db2.gz RRDNLPSYVOOQTB-QMMMGPOBSA-N 0 3 246.261 0.372 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2CNCCC2(F)F)CO1 ZINC000648204692 384837879 /nfs/dbraw/zinc/83/78/79/384837879.db2.gz FWKWWTIZIHGYCC-HRDYMLBCSA-N 0 3 248.273 0.525 20 0 BCADHN COC(C)(C)CCNC1(C(N)=O)CC1 ZINC000308596629 384831393 /nfs/dbraw/zinc/83/13/93/384831393.db2.gz MTNWWYABJMKYJN-UHFFFAOYSA-N 0 3 200.282 0.409 20 0 BCADHN CSCCC(=O)N[C@@H]1CNCCC1(F)F ZINC000449655053 384831316 /nfs/dbraw/zinc/83/13/16/384831316.db2.gz GBIQJLORGVIAKR-SSDOTTSWSA-N 0 3 238.303 0.853 20 0 BCADHN C[C@H](NCc1nccn1C)[C@@H]1CCOC1 ZINC000127039484 384831736 /nfs/dbraw/zinc/83/17/36/384831736.db2.gz GZILXRUYYWVIJI-VHSXEESVSA-N 0 3 209.293 0.935 20 0 BCADHN C[C@H](NCc1cncnc1)[C@H]1CCOC1 ZINC000127045402 384831963 /nfs/dbraw/zinc/83/19/63/384831963.db2.gz BIONGMYKHXZHGA-ONGXEEELSA-N 0 3 207.277 0.991 20 0 BCADHN CC[C@@H](O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000301016282 384833906 /nfs/dbraw/zinc/83/39/06/384833906.db2.gz ZQWRAEDYVUQFLC-SCZZXKLOSA-N 0 3 212.297 0.705 20 0 BCADHN CC[C@H](OC)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449658679 384834003 /nfs/dbraw/zinc/83/40/03/384834003.db2.gz BQUWUCUDALOELX-JGVFFNPUSA-N 0 3 236.262 0.525 20 0 BCADHN C[C@H]1CC2(CN1C(=O)C1(N)CC1)CCOCC2 ZINC000648204032 384834914 /nfs/dbraw/zinc/83/49/14/384834914.db2.gz OYKYDSNASVNHTM-JTQLQIEISA-N 0 3 238.331 0.895 20 0 BCADHN C[C@H]1CN(C(=O)[C@H](N)C2CCC2)CCO1 ZINC000335046010 384781376 /nfs/dbraw/zinc/78/13/76/384781376.db2.gz YFXSLBABLQVBAN-WCBMZHEXSA-N 0 3 212.293 0.361 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)CCCn1ccnc1 ZINC000126291205 384788049 /nfs/dbraw/zinc/78/80/49/384788049.db2.gz LJQXTUMPDGEZNJ-BZNIZROVSA-N 0 3 243.376 0.972 20 0 BCADHN CSc1ccc(CNC(CO)CO)cc1 ZINC000083692084 384794677 /nfs/dbraw/zinc/79/46/77/384794677.db2.gz RVIHAPZQLUJFBX-UHFFFAOYSA-N 0 3 227.329 0.851 20 0 BCADHN COC[C@@H](N[C@@H]1CCCNC1=O)C(C)C ZINC000087480041 384796443 /nfs/dbraw/zinc/79/64/43/384796443.db2.gz APKRDZHYBGVWNE-NXEZZACHSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@H](O)CCCNC(=O)CN1CCC(C)(C)C1 ZINC000518212807 384800872 /nfs/dbraw/zinc/80/08/72/384800872.db2.gz HFLJLXBFDJCJRS-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CN(CCc1ccncc1)C(=O)C1(N)CC1 ZINC000083834701 384801519 /nfs/dbraw/zinc/80/15/19/384801519.db2.gz XPBIZJKQYQYJRE-UHFFFAOYSA-N 0 3 219.288 0.574 20 0 BCADHN C[C@H]1CSC[C@H]1NCC(=O)NC1CC1 ZINC000308555458 384804365 /nfs/dbraw/zinc/80/43/65/384804365.db2.gz RYCSWSCUABCXPS-IONNQARKSA-N 0 3 214.334 0.606 20 0 BCADHN CNC(=O)CCCN(C)C(=O)C1(N)CCCC1 ZINC000648158053 384804771 /nfs/dbraw/zinc/80/47/71/384804771.db2.gz JYNHJBDYMWMZMR-UHFFFAOYSA-N 0 3 241.335 0.243 20 0 BCADHN COCC1(CCNC(=O)[C@H]2NCC2(C)C)CC1 ZINC000648192079 384805930 /nfs/dbraw/zinc/80/59/30/384805930.db2.gz GFQUUNUMCPEHGK-SNVBAGLBSA-N 0 3 240.347 0.917 20 0 BCADHN COC(C)(C)CN(C)C(=O)[C@@H](N)CC(F)F ZINC000404369609 384807326 /nfs/dbraw/zinc/80/73/26/384807326.db2.gz OBCHXLLENJIHLP-ZETCQYMHSA-N 0 3 238.278 0.852 20 0 BCADHN COC[C@H](C)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000363505987 384807568 /nfs/dbraw/zinc/80/75/68/384807568.db2.gz DIRBXNCVFVFWHV-XQQFMLRXSA-N 0 3 242.363 0.552 20 0 BCADHN COC[C@H](C)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000363505988 384808715 /nfs/dbraw/zinc/80/87/15/384808715.db2.gz DIRBXNCVFVFWHV-YNEHKIRRSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H](N)C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000083887824 384812514 /nfs/dbraw/zinc/81/25/14/384812514.db2.gz WTSWVHBFRVCRFV-ZCFIWIBFSA-N 0 3 236.250 0.665 20 0 BCADHN CNCC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000083905106 384814331 /nfs/dbraw/zinc/81/43/31/384814331.db2.gz GYPQSKOGXXWUFJ-SNVBAGLBSA-N 0 3 247.298 0.128 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cc[nH]c(=O)c1 ZINC000186711152 384872122 /nfs/dbraw/zinc/87/21/22/384872122.db2.gz SMWYCEFZXGLGHA-UHFFFAOYSA-N 0 3 249.314 0.541 20 0 BCADHN CCOCC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177104939 384873565 /nfs/dbraw/zinc/87/35/65/384873565.db2.gz IUCSGDXNIFVHKU-UWVGGRQHSA-N 0 3 226.320 0.764 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cn[nH]c1 ZINC000186724166 384874167 /nfs/dbraw/zinc/87/41/67/384874167.db2.gz YFAYUOPLDHMRBP-UHFFFAOYSA-N 0 3 222.292 0.576 20 0 BCADHN COC(CN1CCC[C@@H](c2nnc[nH]2)C1)OC ZINC000364032572 384879408 /nfs/dbraw/zinc/87/94/08/384879408.db2.gz YABFZHMTDBJCJB-SECBINFHSA-N 0 3 240.307 0.603 20 0 BCADHN CN(C)[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000306324705 384882518 /nfs/dbraw/zinc/88/25/18/384882518.db2.gz KXMLLKACNPIUDF-YUMQZZPRSA-N 0 3 206.311 0.018 20 0 BCADHN CO[C@@H]1C[C@@H](NC(=O)[C@H](N)C(C)C)C1(C)C ZINC000234836225 384883977 /nfs/dbraw/zinc/88/39/77/384883977.db2.gz CNOZTLOQGBEXOA-OPRDCNLKSA-N 0 3 228.336 0.899 20 0 BCADHN CN1CCC(NC(=O)c2c[nH]c(=S)[nH]2)CC1 ZINC000186807969 384883979 /nfs/dbraw/zinc/88/39/79/384883979.db2.gz QKZRQLXWOMSNBA-UHFFFAOYSA-N 0 3 240.332 0.522 20 0 BCADHN O=C1CCN(CN[C@@H]2C[C@H]3OCCC[C@@H]23)CC1 ZINC000364034199 384884448 /nfs/dbraw/zinc/88/44/48/384884448.db2.gz ZTMMEFSLRSKGFH-YNEHKIRRSA-N 0 3 238.331 0.766 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@H](CO)CC1 ZINC000339749966 384884830 /nfs/dbraw/zinc/88/48/30/384884830.db2.gz KJJHDOSLXYOCBF-NSHDSACASA-N 0 3 228.336 0.559 20 0 BCADHN C[C@H](NC(=O)[C@]1(F)CCNC1)[C@@H]1CCCO1 ZINC000151842530 384838874 /nfs/dbraw/zinc/83/88/74/384838874.db2.gz YZLNXPKABNTVPM-QXEWZRGKSA-N 0 3 230.283 0.372 20 0 BCADHN Cc1cnc(C(=O)N2CCN3CCC[C@@H]3C2)o1 ZINC000291734189 384842041 /nfs/dbraw/zinc/84/20/41/384842041.db2.gz JYEPRCPKOHWBKR-SNVBAGLBSA-N 0 3 235.287 0.903 20 0 BCADHN CO[C@H](C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177034851 384848015 /nfs/dbraw/zinc/84/80/15/384848015.db2.gz QUUZTTNUHGXCRA-BBBLOLIVSA-N 0 3 226.320 0.763 20 0 BCADHN Cc1nc(C)c(CN2C[C@@H](O)C[C@H]2CO)s1 ZINC000186534775 384850656 /nfs/dbraw/zinc/85/06/56/384850656.db2.gz JIRMJMKCNBLNOO-UWVGGRQHSA-N 0 3 242.344 0.687 20 0 BCADHN O=C(CC1(O)CCC1)N1CCN2CCC[C@@H]2C1 ZINC000336242479 384851113 /nfs/dbraw/zinc/85/11/13/384851113.db2.gz JBVZVMACXBBCSU-LLVKDONJSA-N 0 3 238.331 0.598 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H](O)CC(C)(C)C ZINC000225502662 384857975 /nfs/dbraw/zinc/85/79/75/384857975.db2.gz VZOUUNDVTHTYEY-UWVGGRQHSA-N 0 3 230.352 0.883 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000151896127 384858765 /nfs/dbraw/zinc/85/87/65/384858765.db2.gz KJKGYJCTNHUNGA-KOLCDFICSA-N 0 3 230.283 0.325 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000151896364 384859295 /nfs/dbraw/zinc/85/92/95/384859295.db2.gz KJKGYJCTNHUNGA-GXSJLCMTSA-N 0 3 230.283 0.325 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2cnns2)C1 ZINC000105325817 384862351 /nfs/dbraw/zinc/86/23/51/384862351.db2.gz FANGMUYUYNKUNG-QMMMGPOBSA-N 0 3 240.332 0.704 20 0 BCADHN COC[C@H](O)CCNCc1ccccn1 ZINC000127505331 384866743 /nfs/dbraw/zinc/86/67/43/384866743.db2.gz WNDSXFULMTVMLK-LLVKDONJSA-N 0 3 210.277 0.569 20 0 BCADHN COc1ccc(C(=O)NC[C@H](C)N(C)C)cn1 ZINC000046272776 384868305 /nfs/dbraw/zinc/86/83/05/384868305.db2.gz KABBQCPBZJTOPI-VIFPVBQESA-N 0 3 237.303 0.770 20 0 BCADHN CC[C@@H](NC(=O)[C@H]1CCCCN1)C(=O)OC ZINC000236946300 384868444 /nfs/dbraw/zinc/86/84/44/384868444.db2.gz LLLIATYIGZJLGC-RKDXNWHRSA-N 0 3 228.292 0.196 20 0 BCADHN CO[C@H](C)C(=O)NC(C)(C)CN(C)C ZINC000308616522 384868334 /nfs/dbraw/zinc/86/83/34/384868334.db2.gz GSMNSGYMGDWTEU-MRVPVSSYSA-N 0 3 202.298 0.478 20 0 BCADHN C[C@@H](O)CNCCn1c2ccccc2oc1=O ZINC000644548787 384949571 /nfs/dbraw/zinc/94/95/71/384949571.db2.gz VYMNANJWCVZHDY-SECBINFHSA-N 0 3 236.271 0.565 20 0 BCADHN CC1(C)CCN(CC(=O)N2CCC(O)CC2)C1 ZINC000557456407 384952573 /nfs/dbraw/zinc/95/25/73/384952573.db2.gz CMKMCGJBLMGURN-UHFFFAOYSA-N 0 3 240.347 0.702 20 0 BCADHN O=C1NCCC[C@@H]1CNC[C@@H](O)C(F)(F)F ZINC000644556172 384956714 /nfs/dbraw/zinc/95/67/14/384956714.db2.gz WFSPYIJQDXJTCG-RNFRBKRXSA-N 0 3 240.225 0.025 20 0 BCADHN O=C1NCCC[C@H]1CNC[C@@H](O)C(F)(F)F ZINC000644556171 384956973 /nfs/dbraw/zinc/95/69/73/384956973.db2.gz WFSPYIJQDXJTCG-NKWVEPMBSA-N 0 3 240.225 0.025 20 0 BCADHN COC[C@H](O)CN(C)Cc1cccc(O)c1 ZINC000086662538 384891347 /nfs/dbraw/zinc/89/13/47/384891347.db2.gz UOPPNBPMAUYLMG-GFCCVEGCSA-N 0 3 225.288 0.831 20 0 BCADHN CC(C)(CN1CCOCC1)NCCF ZINC000308648039 384895462 /nfs/dbraw/zinc/89/54/62/384895462.db2.gz PQTZDTNCZDJSKX-UHFFFAOYSA-N 0 3 204.289 0.656 20 0 BCADHN Cc1nnsc1CNCC[C@@]1(O)CCOC1 ZINC000404135311 384896939 /nfs/dbraw/zinc/89/69/39/384896939.db2.gz BZJYFCQRYKJQLD-SNVBAGLBSA-N 0 3 243.332 0.478 20 0 BCADHN COC[C@H](O)CCNCc1cn(C)nc1C ZINC000127472102 384899719 /nfs/dbraw/zinc/89/97/19/384899719.db2.gz SSTGYVKTIHOKKK-LLVKDONJSA-N 0 3 227.308 0.216 20 0 BCADHN CN1CCC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000335541930 384900141 /nfs/dbraw/zinc/90/01/41/384900141.db2.gz QBYQFOGVNSLCIW-UWVGGRQHSA-N 0 3 208.305 0.997 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1ncccc1N ZINC000308662559 384900316 /nfs/dbraw/zinc/90/03/16/384900316.db2.gz HKIATLDQKNPTID-UHFFFAOYSA-N 0 3 236.319 0.734 20 0 BCADHN O=C1CC[C@@H]2CN(C[C@H]3CCOC3)CCN12 ZINC000336265548 384900972 /nfs/dbraw/zinc/90/09/72/384900972.db2.gz KCYAMSIEGFMUPO-GHMZBOCLSA-N 0 3 224.304 0.330 20 0 BCADHN CO[C@H](C)CN(CCO)[C@H]1CCO[C@@H]1C ZINC000361567266 384904048 /nfs/dbraw/zinc/90/40/48/384904048.db2.gz UASIDLACMHVXHA-MXWKQRLJSA-N 0 3 217.309 0.493 20 0 BCADHN COC[C@H](O)CCNCc1c(C)n[nH]c1C ZINC000127494068 384904745 /nfs/dbraw/zinc/90/47/45/384904745.db2.gz IZLOIPBVAUWRHB-SNVBAGLBSA-N 0 3 227.308 0.514 20 0 BCADHN CC[C@H](N[C@H](C)[C@H]1CCCO1)C(N)=O ZINC000245384875 384906186 /nfs/dbraw/zinc/90/61/86/384906186.db2.gz YPEGONSYZZZOSL-HRDYMLBCSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@H]1CCOC1 ZINC000127671070 384911921 /nfs/dbraw/zinc/91/19/21/384911921.db2.gz PMFJXXWLKNMVHF-BDAKNGLRSA-N 0 3 215.297 0.025 20 0 BCADHN C[C@H](C(=O)NC[C@@H]1CNCCO1)C1CCCC1 ZINC000643603589 384912150 /nfs/dbraw/zinc/91/21/50/384912150.db2.gz WCTQPZOPSRLNII-JQWIXIFHSA-N 0 3 240.347 0.917 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CC[C@](C)(C(N)=O)C1 ZINC000361566331 384913540 /nfs/dbraw/zinc/91/35/40/384913540.db2.gz PUMKYCNYCUMHBT-SKDRFNHKSA-N 0 3 241.335 0.098 20 0 BCADHN CN1C[C@@H](CN(CCO)CC2CC2)OC1=O ZINC000497249800 384913506 /nfs/dbraw/zinc/91/35/06/384913506.db2.gz GVJLUJKRYGBQNX-JTQLQIEISA-N 0 3 228.292 0.141 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C ZINC000156761903 384959122 /nfs/dbraw/zinc/95/91/22/384959122.db2.gz WPKOCPPOASFCJS-IVZWLZJFSA-N 0 3 241.335 0.239 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)CC(F)F)[C@H]1CCCO1 ZINC000309296313 384916580 /nfs/dbraw/zinc/91/65/80/384916580.db2.gz KUSFJMYYKKJMKU-BIIVOSGPSA-N 0 3 236.262 0.653 20 0 BCADHN CC(C)CCNC(=O)[C@H](C)N1CC[C@@H](CO)C1 ZINC000225979221 384918049 /nfs/dbraw/zinc/91/80/49/384918049.db2.gz YJXVPKBJUUQMKO-NWDGAFQWSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H](C(=O)N1CCCCC1)N1CC[C@@H](CO)C1 ZINC000225971750 384919410 /nfs/dbraw/zinc/91/94/10/384919410.db2.gz QPDXHONJYMJONJ-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN CSCC[C@H](N)C(=O)NCCC1CC1 ZINC000083894337 384922083 /nfs/dbraw/zinc/92/20/83/384922083.db2.gz FGPYDHKYFNCGDI-VIFPVBQESA-N 0 3 216.350 0.983 20 0 BCADHN C[C@@H](O)CNCc1ccnc(-n2cccn2)c1 ZINC000644519824 384922313 /nfs/dbraw/zinc/92/23/13/384922313.db2.gz NYHHCIILITYZGB-SNVBAGLBSA-N 0 3 232.287 0.738 20 0 BCADHN Cc1nnc(C2CCN([C@@H](C)C(N)=O)CC2)[nH]1 ZINC000361569652 384923207 /nfs/dbraw/zinc/92/32/07/384923207.db2.gz TUOLLRHVKLRMII-ZETCQYMHSA-N 0 3 237.307 0.166 20 0 BCADHN COc1ncncc1CNCC1(CCO)CC1 ZINC000647203598 384923235 /nfs/dbraw/zinc/92/32/35/384923235.db2.gz NBLGDTRAQOKKNT-UHFFFAOYSA-N 0 3 237.303 0.737 20 0 BCADHN CNC(=O)c1cccc(CNC[C@@H](C)O)c1 ZINC000644519045 384932464 /nfs/dbraw/zinc/93/24/64/384932464.db2.gz IJSPPELTXAWOBY-SECBINFHSA-N 0 3 222.288 0.517 20 0 BCADHN CC[C@H](O)CN[C@H](C(N)=O)C(C)(C)C ZINC000128205403 384934988 /nfs/dbraw/zinc/93/49/88/384934988.db2.gz UKGVHMQMJZRPQZ-JGVFFNPUSA-N 0 3 202.298 0.247 20 0 BCADHN CN1C[C@H](C(=O)Nc2cccc(CN)c2)CC1=O ZINC000647607298 384937376 /nfs/dbraw/zinc/93/73/76/384937376.db2.gz GZDKUEHSHTVDGA-SNVBAGLBSA-N 0 3 247.298 0.562 20 0 BCADHN COC(=O)NC(C)(C)C(=O)N(C)CCN(C)C ZINC000085363188 384938808 /nfs/dbraw/zinc/93/88/08/384938808.db2.gz WOFXGIHKIJUNND-UHFFFAOYSA-N 0 3 245.323 0.141 20 0 BCADHN C[C@@H](O)CN[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000644529268 384940469 /nfs/dbraw/zinc/94/04/69/384940469.db2.gz FYIYFVJJXYZUHE-GHMZBOCLSA-N 0 3 234.299 0.762 20 0 BCADHN O=C(CN[C@H]1Cc2cccc(O)c2C1)N1CCC1 ZINC000559274956 384946242 /nfs/dbraw/zinc/94/62/42/384946242.db2.gz JVIZUIFXDIKJEJ-NSHDSACASA-N 0 3 246.310 0.681 20 0 BCADHN CCN(CC)CC(=O)N(C)[C@H]1C[C@@H](OC)C1 ZINC000557446392 384946554 /nfs/dbraw/zinc/94/65/54/384946554.db2.gz OCYVBHOKHDSXFA-PHIMTYICSA-N 0 3 228.336 0.964 20 0 BCADHN CN1CCNC[C@H]1CNCc1cccs1 ZINC000258851172 384947798 /nfs/dbraw/zinc/94/77/98/384947798.db2.gz FZUMQAXINJIOLV-JTQLQIEISA-N 0 3 225.361 0.741 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1CCCC[C@@H]1O)N(C)C ZINC000152152791 384970983 /nfs/dbraw/zinc/97/09/83/384970983.db2.gz ADDZTSJPUIWYMN-SDDRHHMPSA-N 0 3 242.363 0.992 20 0 BCADHN Cc1nnc(NC(=O)[C@H](N)C2CCC2)s1 ZINC000331972405 384971146 /nfs/dbraw/zinc/97/11/46/384971146.db2.gz LWOHMCUMMULAOK-SSDOTTSWSA-N 0 3 226.305 0.912 20 0 BCADHN COC(=O)[C@@H](C)N(C)C(=O)C1CCN(C)CC1 ZINC000260229507 384972245 /nfs/dbraw/zinc/97/22/45/384972245.db2.gz WRUOZNCJMDMICW-SECBINFHSA-N 0 3 242.319 0.348 20 0 BCADHN CC[C@@H](O)CN[C@H]1CCN(C(C)C)C1=O ZINC000644567289 384972667 /nfs/dbraw/zinc/97/26/67/384972667.db2.gz ZQDFJNAKOMQIRG-ZJUUUORDSA-N 0 3 214.309 0.356 20 0 BCADHN O=C([C@@H]1CNCCOC1)N1C[C@H]2CCC[C@@H]2C1 ZINC000643700329 384979819 /nfs/dbraw/zinc/97/98/19/384979819.db2.gz XFQILQQXPYASIQ-IJLUTSLNSA-N 0 3 238.331 0.481 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCNC(=O)C1CC1 ZINC000156833145 384980404 /nfs/dbraw/zinc/98/04/04/384980404.db2.gz FNVCLIGDENRUMP-GFCCVEGCSA-N 0 3 241.335 0.146 20 0 BCADHN COC[C@H](CO)N[C@H](COC)C1CC1 ZINC000234843057 384981088 /nfs/dbraw/zinc/98/10/88/384981088.db2.gz NVBFOMXQZBAGJF-VHSXEESVSA-N 0 3 203.282 0.008 20 0 BCADHN Cc1ccc(CN[C@@H](C)CC(N)=O)cn1 ZINC000129283444 384985104 /nfs/dbraw/zinc/98/51/04/384985104.db2.gz WUSBKICRTFURDI-VIFPVBQESA-N 0 3 207.277 0.744 20 0 BCADHN CN(CC[NH+](C)C)c1ccncc1C(=O)[O-] ZINC000088109906 384985945 /nfs/dbraw/zinc/98/59/45/384985945.db2.gz UHYHBWXPPZQJEE-UHFFFAOYSA-N 0 3 223.276 0.778 20 0 BCADHN CN(C)CCN(C)c1cc[nH+]cc1C(=O)[O-] ZINC000088109906 384985948 /nfs/dbraw/zinc/98/59/48/384985948.db2.gz UHYHBWXPPZQJEE-UHFFFAOYSA-N 0 3 223.276 0.778 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@@](C)(O)C2CC2)C1 ZINC000557504457 384986251 /nfs/dbraw/zinc/98/62/51/384986251.db2.gz VLCKWNXXDIWSLM-MFKMUULPSA-N 0 3 240.347 0.605 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)c1cnn(C)c1C ZINC000037001477 384986459 /nfs/dbraw/zinc/98/64/59/384986459.db2.gz CYSKXFFPSKZSHG-XCBNKYQSSA-N 0 3 224.308 0.643 20 0 BCADHN CS(=O)(=O)C[C@H](N[C@@H]1CCCOC1)C1CC1 ZINC000332034414 384987000 /nfs/dbraw/zinc/98/70/00/384987000.db2.gz XVAROQCPSDERNX-MNOVXSKESA-N 0 3 247.360 0.578 20 0 BCADHN NCC(=O)NC1CCN(c2ccccn2)CC1 ZINC000037008430 384987698 /nfs/dbraw/zinc/98/76/98/384987698.db2.gz HZGFBJDLWAENSF-UHFFFAOYSA-N 0 3 234.303 0.125 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000037006812 384988495 /nfs/dbraw/zinc/98/84/95/384988495.db2.gz IYKAYGILOZWWGG-SECBINFHSA-N 0 3 245.286 0.612 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000037043155 384991719 /nfs/dbraw/zinc/99/17/19/384991719.db2.gz RTHVCFQTSSOIIX-UWVGGRQHSA-N 0 3 236.319 0.651 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000037018226 384993809 /nfs/dbraw/zinc/99/38/09/384993809.db2.gz FZYHREWARIOLJF-SFYZADRCSA-N 0 3 233.275 0.254 20 0 BCADHN CSC[C@H](O)CN(CCO)[C@H]1CCO[C@@H]1C ZINC000361588406 384994872 /nfs/dbraw/zinc/99/48/72/384994872.db2.gz YIOOMKYAXXRWBV-MXWKQRLJSA-N 0 3 249.376 0.182 20 0 BCADHN CN(CCNC(=O)c1ccc(N)cn1)C1CC1 ZINC000156865230 384998236 /nfs/dbraw/zinc/99/82/36/384998236.db2.gz MZSAHKMEYLMBCV-UHFFFAOYSA-N 0 3 234.303 0.488 20 0 BCADHN C[C@H](NCCCc1cnn(C)c1)C(=O)N(C)C ZINC000314401262 385003556 /nfs/dbraw/zinc/00/35/56/385003556.db2.gz VDARXTACCODISG-JTQLQIEISA-N 0 3 238.335 0.419 20 0 BCADHN C[C@H](O)CN[C@@H]1CCN(C2CCCCC2)C1=O ZINC000644598920 385003759 /nfs/dbraw/zinc/00/37/59/385003759.db2.gz FQPIYOFUVCNLRV-CMPLNLGQSA-N 0 3 240.347 0.890 20 0 BCADHN CSC[C@@H](C)NCc1cnnn1C ZINC000129772338 385007695 /nfs/dbraw/zinc/00/76/95/385007695.db2.gz RMVFUCYABGTGRZ-SSDOTTSWSA-N 0 3 200.311 0.656 20 0 BCADHN NC(=O)CCN[C@@H]1CCN(c2ccccn2)C1 ZINC000644608381 385009270 /nfs/dbraw/zinc/00/92/70/385009270.db2.gz GZHOCXWUCVBGKO-SNVBAGLBSA-N 0 3 234.303 0.125 20 0 BCADHN C[C@@H](N[C@@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC000058486543 385010331 /nfs/dbraw/zinc/01/03/31/385010331.db2.gz NGWWAHCWGYHJEV-BDAKNGLRSA-N 0 3 235.287 0.921 20 0 BCADHN Cc1cc(CNCC2(O)CCC2)ncn1 ZINC000644608734 385010469 /nfs/dbraw/zinc/01/04/69/385010469.db2.gz KJROIMOVSZDBAG-UHFFFAOYSA-N 0 3 207.277 0.790 20 0 BCADHN COC(=O)c1ccc(CNCC[C@@H](C)O)[nH]1 ZINC000086329722 385010513 /nfs/dbraw/zinc/01/05/13/385010513.db2.gz QULYQWWAYWOZQZ-MRVPVSSYSA-N 0 3 226.276 0.662 20 0 BCADHN C[C@H](CN1CCOCC1)NCc1ccns1 ZINC000404468729 385012380 /nfs/dbraw/zinc/01/23/80/385012380.db2.gz YZBHOXNLSCERLA-SNVBAGLBSA-N 0 3 241.360 0.953 20 0 BCADHN C[C@H]1OCC[C@]1(O)CNCc1ccns1 ZINC000404466638 385012398 /nfs/dbraw/zinc/01/23/98/385012398.db2.gz WLRSKGJZBXWZJD-SCZZXKLOSA-N 0 3 228.317 0.773 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)c1ccccc1)c1nc[nH]n1 ZINC000226408276 385012566 /nfs/dbraw/zinc/01/25/66/385012566.db2.gz NTVMFKIFTBJEOK-SCZZXKLOSA-N 0 3 245.286 0.682 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)c1ccccc1)c1nnc[nH]1 ZINC000226408276 385012573 /nfs/dbraw/zinc/01/25/73/385012573.db2.gz NTVMFKIFTBJEOK-SCZZXKLOSA-N 0 3 245.286 0.682 20 0 BCADHN CCC[C@H](C)[C@H](CO)NCC(=O)N(C)C ZINC000518382813 385023228 /nfs/dbraw/zinc/02/32/28/385023228.db2.gz DDFIWHJQSOQAGC-UWVGGRQHSA-N 0 3 216.325 0.461 20 0 BCADHN CCCNS(=O)(=O)N1CCC[C@@H](N(C)C)C1 ZINC000408356619 385016811 /nfs/dbraw/zinc/01/68/11/385016811.db2.gz FXADRIKITVSRGV-SNVBAGLBSA-N 0 3 249.380 0.257 20 0 BCADHN c1cnc(N2CCN3CCC2CC3)nc1 ZINC000302767883 385018279 /nfs/dbraw/zinc/01/82/79/385018279.db2.gz MCKMRCFVDFXHBV-UHFFFAOYSA-N 0 3 204.277 0.761 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@](C)(O)C2CC2)C1 ZINC000557561558 385018888 /nfs/dbraw/zinc/01/88/88/385018888.db2.gz NFKMFLIDDDWVBN-ZWNOBZJWSA-N 0 3 240.347 0.605 20 0 BCADHN CN(C[C@@H]1CCCCO1)[C@@H]1COC[C@H]1O ZINC000340283249 385047436 /nfs/dbraw/zinc/04/74/36/385047436.db2.gz QVXYXTHLZVFBGY-HBNTYKKESA-N 0 3 215.293 0.247 20 0 BCADHN COc1ncncc1CNCCCCCO ZINC000647207231 385048992 /nfs/dbraw/zinc/04/89/92/385048992.db2.gz BEGKLZDJZSNUKI-UHFFFAOYSA-N 0 3 225.292 0.737 20 0 BCADHN CCN1CC[C@H](NCC2(O)CCCC2)C1=O ZINC000644643092 385050449 /nfs/dbraw/zinc/05/04/49/385050449.db2.gz YHWHCOQVPJDNDJ-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN C[C@H](N[C@@H]1CCOC1(C)C)C(=O)NCCF ZINC000340380122 385051258 /nfs/dbraw/zinc/05/12/58/385051258.db2.gz FLIRMAIHCLJGGQ-DTWKUNHWSA-N 0 3 232.299 0.618 20 0 BCADHN CCOCC[C@H](O)CNCc1cnn(CC)c1 ZINC000644645942 385052672 /nfs/dbraw/zinc/05/26/72/385052672.db2.gz PITZLULSQAIBBK-LBPRGKRZSA-N 0 3 241.335 0.780 20 0 BCADHN COCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000068219394 385053465 /nfs/dbraw/zinc/05/34/65/385053465.db2.gz DQKVSVREXFCJIM-QMMMGPOBSA-N 0 3 200.282 0.232 20 0 BCADHN CCn1nncc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646918954 385057156 /nfs/dbraw/zinc/05/71/56/385057156.db2.gz BVCPGACKSDRRPA-KOLCDFICSA-N 0 3 249.318 0.074 20 0 BCADHN CC[C@](C)(OC)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000646916369 385057345 /nfs/dbraw/zinc/05/73/45/385057345.db2.gz GTXMJRUYBRMYIH-GVXVVHGQSA-N 0 3 240.347 0.964 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@]2(C)CCCO2)C1 ZINC000646917982 385057417 /nfs/dbraw/zinc/05/74/17/385057417.db2.gz KUQBMOWEISGUQX-GVXVVHGQSA-N 0 3 238.331 0.718 20 0 BCADHN NS(=O)(=O)CCCN1CCC2(CCC2)CC1 ZINC000308743985 385059438 /nfs/dbraw/zinc/05/94/38/385059438.db2.gz QGEYAROMMJYJIM-UHFFFAOYSA-N 0 3 246.376 0.931 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)C3(O)CCCC3)[C@@H]2C1 ZINC000646919784 385060245 /nfs/dbraw/zinc/06/02/45/385060245.db2.gz KURMVAOEMQUKPV-WDEREUQCSA-N 0 3 238.331 0.454 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)[C@@H]2C1 ZINC000646925564 385060521 /nfs/dbraw/zinc/06/05/21/385060521.db2.gz SIRXFIFBZLQWRL-GZMMTYOYSA-N 0 3 237.278 0.930 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cc(F)c[nH]3)[C@@H]2C1 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GYJFXEQLJRQILK-RYUDHWBXSA-N 0 3 220.320 0.556 20 0 BCADHN CC(C)n1cc(CN2CC[C@@H]3CN(C)C[C@H]32)nn1 ZINC000644728571 385197491 /nfs/dbraw/zinc/19/74/91/385197491.db2.gz INVHTOKTVNKJSI-DGCLKSJQSA-N 0 3 249.362 0.995 20 0 BCADHN COC(=O)[C@@H]1CCCN(CCn2ccnc2)C1 ZINC000151986528 385146381 /nfs/dbraw/zinc/14/63/81/385146381.db2.gz MHKUUZRWGMFOBH-LLVKDONJSA-N 0 3 237.303 0.768 20 0 BCADHN Cc1nc(CN[C@H]2CSC[C@H]2C)n[nH]1 ZINC000306652233 385147044 /nfs/dbraw/zinc/14/70/44/385147044.db2.gz CMEASSXVTZNPDH-SVRRBLITSA-N 0 3 212.322 0.954 20 0 BCADHN CCOC(=O)CCN1CC[C@@](C)(O)C1 ZINC000177992337 385148289 /nfs/dbraw/zinc/14/82/89/385148289.db2.gz KQAHOPBMXBJLBZ-SNVBAGLBSA-N 0 3 201.266 0.396 20 0 BCADHN CNc1ccc(C(=O)NCCN(C)C2CC2)cn1 ZINC000062011868 385150203 /nfs/dbraw/zinc/15/02/03/385150203.db2.gz UYJFIXVUKDVQBE-UHFFFAOYSA-N 0 3 248.330 0.947 20 0 BCADHN CN(CCNC(=O)c1cccc(N)n1)C1CC1 ZINC000062011873 385152264 /nfs/dbraw/zinc/15/22/64/385152264.db2.gz FGWKOLRMVYPUPV-UHFFFAOYSA-N 0 3 234.303 0.488 20 0 BCADHN Cc1nc(C2(NC(=O)[C@@H](C)N)CCCC2)no1 ZINC000152110182 385153807 /nfs/dbraw/zinc/15/38/07/385153807.db2.gz PDHITTSXBXAKHP-SSDOTTSWSA-N 0 3 238.291 0.611 20 0 BCADHN CC[C@H](CO)N(C)CC[C@@H]1CCS(=O)(=O)C1 ZINC000647026100 385160658 /nfs/dbraw/zinc/16/06/58/385160658.db2.gz GBLAMNYTVVQGAL-GHMZBOCLSA-N 0 3 249.376 0.514 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CC12CC2 ZINC000424316908 385161107 /nfs/dbraw/zinc/16/11/07/385161107.db2.gz GCDOGLGTRFMNEK-HTQZYQBOSA-N 0 3 203.307 0.562 20 0 BCADHN Cc1nnsc1CN[C@H]1CN(C)C[C@@H]1C ZINC000309107021 385163423 /nfs/dbraw/zinc/16/34/23/385163423.db2.gz IHRKHHNVHLNJAX-CBAPKCEASA-N 0 3 226.349 0.886 20 0 BCADHN CC(C)CN1CCN(Cc2ncnn2C)CC1 ZINC000176991429 385166280 /nfs/dbraw/zinc/16/62/80/385166280.db2.gz BLZCQIABYYVYBZ-UHFFFAOYSA-N 0 3 237.351 0.589 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCCOCC1CC1 ZINC000035661379 385176873 /nfs/dbraw/zinc/17/68/73/385176873.db2.gz SHBGCPLUVQKZSH-LLVKDONJSA-N 0 3 228.336 0.903 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1cncc(F)c1 ZINC000129691353 385177786 /nfs/dbraw/zinc/17/77/86/385177786.db2.gz SATSNKQARMZIFA-KCJUWKMLSA-N 0 3 228.267 0.879 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1cncc(F)c1 ZINC000129691164 385178689 /nfs/dbraw/zinc/17/86/89/385178689.db2.gz SATSNKQARMZIFA-KWQFWETISA-N 0 3 228.267 0.879 20 0 BCADHN CCc1nncn1CCNCc1cnc(C)nc1 ZINC000557828019 385180535 /nfs/dbraw/zinc/18/05/35/385180535.db2.gz PQALHDZJZHNEQM-UHFFFAOYSA-N 0 3 246.318 0.729 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246622566 385207397 /nfs/dbraw/zinc/20/73/97/385207397.db2.gz KAEUANDPLNFNAE-RGOKHQFPSA-N 0 3 212.293 0.407 20 0 BCADHN C[C@@H]1[C@H](CO)CCN1C(=O)C1CCN(C)CC1 ZINC000427816597 385207802 /nfs/dbraw/zinc/20/78/02/385207802.db2.gz IYERXGVSCVECLR-PWSUYJOCSA-N 0 3 240.347 0.558 20 0 BCADHN COCCCNC(=O)CN[C@@H]1COCC1(C)C ZINC000313027948 385207801 /nfs/dbraw/zinc/20/78/01/385207801.db2.gz UMKBDHHMIDIGCQ-SNVBAGLBSA-N 0 3 244.335 0.154 20 0 BCADHN C[C@H]1[C@H](CO)CCN1C(=O)C1CCN(C)CC1 ZINC000427816596 385208738 /nfs/dbraw/zinc/20/87/38/385208738.db2.gz IYERXGVSCVECLR-JQWIXIFHSA-N 0 3 240.347 0.558 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CSCN1 ZINC000019485592 385209766 /nfs/dbraw/zinc/20/97/66/385209766.db2.gz IZHMSNQDJUJRCI-ZJUUUORDSA-N 0 3 243.376 0.249 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@@H]1CSCN1 ZINC000019485593 385209930 /nfs/dbraw/zinc/20/99/30/385209930.db2.gz IZHMSNQDJUJRCI-UWVGGRQHSA-N 0 3 243.376 0.249 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@@H]1C(C)(C)O ZINC000305199243 385210642 /nfs/dbraw/zinc/21/06/42/385210642.db2.gz VGLPUCMWUGBZRH-SNVBAGLBSA-N 0 3 228.336 0.746 20 0 BCADHN CSC[C@@H](C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000152801333 385213015 /nfs/dbraw/zinc/21/30/15/385213015.db2.gz OOOBCYKCVPEIKX-MWLCHTKSSA-N 0 3 248.392 0.414 20 0 BCADHN CCOC[C@@H](C)N[C@@H](C)C(=O)NC(C)C ZINC000044723964 385219070 /nfs/dbraw/zinc/21/90/70/385219070.db2.gz DPNRMCHMYSVQNW-ZJUUUORDSA-N 0 3 216.325 0.914 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)CO)N(CC)CC ZINC000448261259 385219761 /nfs/dbraw/zinc/21/97/61/385219761.db2.gz DOQNCBKRNLFCHD-GHMZBOCLSA-N 0 3 230.352 0.851 20 0 BCADHN Cn1cc(CNCC2CC(F)(F)C2)nn1 ZINC000308859503 385221524 /nfs/dbraw/zinc/22/15/24/385221524.db2.gz AORDFIGRUYQIFH-UHFFFAOYSA-N 0 3 216.235 0.950 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H](CO)CC(F)(F)F ZINC000308861308 385228229 /nfs/dbraw/zinc/22/82/29/385228229.db2.gz RMVOKQGTPGDKLW-PHDIDXHHSA-N 0 3 228.214 0.153 20 0 BCADHN CC(C)[C@H]1CN(C(=O)CN(C)C)CCN1 ZINC000062571241 385229519 /nfs/dbraw/zinc/22/95/19/385229519.db2.gz VXVBQUSPWMVYDL-SNVBAGLBSA-N 0 3 213.325 0.004 20 0 BCADHN C[C@H](CO)N[C@H]1CCCc2nn(C)cc21 ZINC000336340178 385229936 /nfs/dbraw/zinc/22/99/36/385229936.db2.gz GZRNNDQOPJFTKO-SCZZXKLOSA-N 0 3 209.293 0.768 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H]1CCCCNC1=O ZINC000037622053 385231025 /nfs/dbraw/zinc/23/10/25/385231025.db2.gz WKJFFKDNZSHBAR-JOYOIKCWSA-N 0 3 241.335 0.289 20 0 BCADHN CSCCCN[C@@H]1CCCS(=O)(=O)C1 ZINC000068941380 385232006 /nfs/dbraw/zinc/23/20/06/385232006.db2.gz RDDITHWQFHGBSH-SECBINFHSA-N 0 3 237.390 0.906 20 0 BCADHN CN(C)CCNC(=O)Nc1ccncn1 ZINC000190700375 385257116 /nfs/dbraw/zinc/25/71/16/385257116.db2.gz AXVHUDCMTTVGJZ-UHFFFAOYSA-N 0 3 209.253 0.160 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C=C1CCC1 ZINC000153494119 385257146 /nfs/dbraw/zinc/25/71/46/385257146.db2.gz WKMQHDUQWCLQLO-LBPRGKRZSA-N 0 3 226.320 0.526 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)c1cccn1C ZINC000153019845 385233536 /nfs/dbraw/zinc/23/35/36/385233536.db2.gz FBBTXUFNTVZVMK-GFCCVEGCSA-N 0 3 239.319 0.068 20 0 BCADHN O=C(Nc1ccc2c(c1)CNC2)[C@@H]1CNCCO1 ZINC000647076282 385233718 /nfs/dbraw/zinc/23/37/18/385233718.db2.gz FURXHZHZCDLPIP-LBPRGKRZSA-N 0 3 247.298 0.217 20 0 BCADHN CC(C)(N)C(=O)NC[C@H]1CSCCS1 ZINC000157635889 385238054 /nfs/dbraw/zinc/23/80/54/385238054.db2.gz DKPCGDLFMJWXSO-ZETCQYMHSA-N 0 3 234.390 0.689 20 0 BCADHN Cn1ccnc1CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000644730455 385257502 /nfs/dbraw/zinc/25/75/02/385257502.db2.gz VSNIGFMKXSVOSF-GHMZBOCLSA-N 0 3 220.320 0.556 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000157658696 385240705 /nfs/dbraw/zinc/24/07/05/385240705.db2.gz JYGYQHPNMBSGRK-ZJUUUORDSA-N 0 3 226.320 0.942 20 0 BCADHN CCNC(=O)C(C)(C)NC[C@@H](O)C(C)C ZINC000313042600 385241520 /nfs/dbraw/zinc/24/15/20/385241520.db2.gz FPHVHBPGJYGRMZ-SECBINFHSA-N 0 3 216.325 0.508 20 0 BCADHN CC[C@@H](N)C(=O)NCCOCCC(C)C ZINC000045109120 385241643 /nfs/dbraw/zinc/24/16/43/385241643.db2.gz ZRHGGRRGJZEMES-SNVBAGLBSA-N 0 3 216.325 0.903 20 0 BCADHN C[C@H](CN(C)C)NCc1cc(C(N)=O)cs1 ZINC000130337535 385241743 /nfs/dbraw/zinc/24/17/43/385241743.db2.gz ZGOMENPICCMAMH-MRVPVSSYSA-N 0 3 241.360 0.887 20 0 BCADHN Cc1cn[nH]c1CN[C@H](C)CS(C)(=O)=O ZINC000308877680 385242496 /nfs/dbraw/zinc/24/24/96/385242496.db2.gz SRYKTCKSUPWKED-MRVPVSSYSA-N 0 3 231.321 0.241 20 0 BCADHN Cc1nnsc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000190480177 385242708 /nfs/dbraw/zinc/24/27/08/385242708.db2.gz DUJATCZPLOSDRX-QMMMGPOBSA-N 0 3 240.332 0.528 20 0 BCADHN CC(C)C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000364203028 385246160 /nfs/dbraw/zinc/24/61/60/385246160.db2.gz VPAFHMVBXCLSJM-LLVKDONJSA-N 0 3 228.336 0.558 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)c1ccoc1 ZINC000153272697 385246788 /nfs/dbraw/zinc/24/67/88/385246788.db2.gz AQJADNJTDAULBE-LLVKDONJSA-N 0 3 226.276 0.322 20 0 BCADHN CCSCC[C@H](C)NC(=O)[C@H](C)N ZINC000157684102 385247002 /nfs/dbraw/zinc/24/70/02/385247002.db2.gz XUWRWIGVAVUOPQ-YUMQZZPRSA-N 0 3 204.339 0.982 20 0 BCADHN C[C@@H](C(=O)NC[C@@H]1CNCCO1)c1cccnc1 ZINC000647086606 385248769 /nfs/dbraw/zinc/24/87/69/385248769.db2.gz LGTVYFRMFKWALS-PWSUYJOCSA-N 0 3 249.314 0.290 20 0 BCADHN CN1CCC[C@H]1CNC(=O)CCc1c[nH]cn1 ZINC000280167973 385203699 /nfs/dbraw/zinc/20/36/99/385203699.db2.gz OQLMQIUGXHDHKT-NSHDSACASA-N 0 3 236.319 0.553 20 0 BCADHN CCN(CC1CC1)[C@H](C)C(=O)NC(=O)NC ZINC000157903031 385304523 /nfs/dbraw/zinc/30/45/23/385304523.db2.gz LXXFQTJWUUVRLL-MRVPVSSYSA-N 0 3 227.308 0.562 20 0 BCADHN CN(C)CCNC(=O)c1cccc(O)c1 ZINC000019837292 385324004 /nfs/dbraw/zinc/32/40/04/385324004.db2.gz FNMHUZKMRXIEQH-UHFFFAOYSA-N 0 3 208.261 0.684 20 0 BCADHN CC[C@](C)(NCCOCC(C)C)C(N)=O ZINC000308953362 385307003 /nfs/dbraw/zinc/30/70/03/385307003.db2.gz IAEFDPTXIJHCQA-NSHDSACASA-N 0 3 216.325 0.903 20 0 BCADHN O=C(N[C@H]1C[C@@H](N2CCCC2)C1)C1CC(=O)C1 ZINC000636097650 385308497 /nfs/dbraw/zinc/30/84/97/385308497.db2.gz HXOXFQWNCMDKCT-PHIMTYICSA-N 0 3 236.315 0.709 20 0 BCADHN O[C@@H]1CCN([C@H]2CCC[C@H]2NCC(F)F)C1 ZINC000643959965 385319653 /nfs/dbraw/zinc/31/96/53/385319653.db2.gz LCALLWGGQYBQIU-BBBLOLIVSA-N 0 3 234.290 0.829 20 0 BCADHN CC[C@H](C)N(C)CC(=O)NCC(=O)OC ZINC000178735781 385321230 /nfs/dbraw/zinc/32/12/30/385321230.db2.gz WPVCZTANTZFRQO-QMMMGPOBSA-N 0 3 216.281 0.006 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000127570663 385260761 /nfs/dbraw/zinc/26/07/61/385260761.db2.gz SNFLGYNUIIJWAG-BBBLOLIVSA-N 0 3 241.335 0.938 20 0 BCADHN CC(C)CNC(=O)CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644731243 385261598 /nfs/dbraw/zinc/26/15/98/385261598.db2.gz NTLRUYGDBBIWKS-NWDGAFQWSA-N 0 3 239.363 0.395 20 0 BCADHN C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@H](F)CN2)CCO1 ZINC000364218586 385262419 /nfs/dbraw/zinc/26/24/19/385262419.db2.gz HOSNLAOLZOIWFL-CHWFTXMASA-N 0 3 244.310 0.618 20 0 BCADHN CCC(CC)[C@@H](O)CNC(=O)[C@@]1(F)CCNC1 ZINC000157740016 385271272 /nfs/dbraw/zinc/27/12/72/385271272.db2.gz GDZZZAFNLWQIGW-CMPLNLGQSA-N 0 3 246.326 0.601 20 0 BCADHN CC(C)[C@@H](O)CN1CCC[C@](F)(CO)C1 ZINC000368639605 385272593 /nfs/dbraw/zinc/27/25/93/385272593.db2.gz WLQZBOIJCDXXMZ-WDEREUQCSA-N 0 3 219.300 0.800 20 0 BCADHN CN(C)CCSCc1ncnn1C ZINC000120226582 385275398 /nfs/dbraw/zinc/27/53/98/385275398.db2.gz JTQJTLJYOGRJJS-UHFFFAOYSA-N 0 3 200.311 0.610 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H]1C[C@@H]1C ZINC000052289907 385276236 /nfs/dbraw/zinc/27/62/36/385276236.db2.gz XWZNZQKXKXFXMX-BIIVOSGPSA-N 0 3 202.323 0.591 20 0 BCADHN C[C@H](O)CN(C)C[C@H](O)COc1ccccc1 ZINC000131241304 385322773 /nfs/dbraw/zinc/32/27/73/385322773.db2.gz ZUUZSDRDGMHXEB-RYUDHWBXSA-N 0 3 239.315 0.739 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](O)CC1)N(C)C ZINC000407979450 385279115 /nfs/dbraw/zinc/27/91/15/385279115.db2.gz ZZDBHSNKOOHJJF-SRVKXCTJSA-N 0 3 242.363 0.992 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C[C@H](O)C(F)(F)F)C1 ZINC000644732565 385292188 /nfs/dbraw/zinc/29/21/88/385292188.db2.gz LKASCROGEMBLIU-CIUDSAMLSA-N 0 3 238.253 0.546 20 0 BCADHN C[C@@H](NCCC(N)=O)c1ccc2c(c1)OCO2 ZINC000030535805 385294906 /nfs/dbraw/zinc/29/49/06/385294906.db2.gz DKYLDOOALNNJRE-MRVPVSSYSA-N 0 3 236.271 0.941 20 0 BCADHN Cc1cnn(CCN2CCC[C@H](O)C2)c1 ZINC000308940699 385298583 /nfs/dbraw/zinc/29/85/83/385298583.db2.gz RWDIAJZOUPBQGL-NSHDSACASA-N 0 3 209.293 0.648 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H](C)C(=O)NCC ZINC000037481488 385300290 /nfs/dbraw/zinc/30/02/90/385300290.db2.gz MLESHMGYDVLQKZ-GZMMTYOYSA-N 0 3 229.324 0.145 20 0 BCADHN NC1(C(=O)NC2CCSCC2)CC1 ZINC000158052439 385332729 /nfs/dbraw/zinc/33/27/29/385332729.db2.gz FFEMPXSZKJWZSO-UHFFFAOYSA-N 0 3 200.307 0.490 20 0 BCADHN OCCCN(CCO)CCOc1ccccc1 ZINC000109798882 385335260 /nfs/dbraw/zinc/33/52/60/385335260.db2.gz DZPWZGIJZAXLSW-UHFFFAOYSA-N 0 3 239.315 0.742 20 0 BCADHN CC1(C)CC[C@H](CN2CCC[C@](O)(CO)C2)O1 ZINC000313679580 385335241 /nfs/dbraw/zinc/33/52/41/385335241.db2.gz XFOUEVCSEBVGHS-DGCLKSJQSA-N 0 3 243.347 0.763 20 0 BCADHN CC1(C)CC[C@H](CN2CCC[C@@](O)(CO)C2)O1 ZINC000313679589 385335589 /nfs/dbraw/zinc/33/55/89/385335589.db2.gz XFOUEVCSEBVGHS-YPMHNXCESA-N 0 3 243.347 0.763 20 0 BCADHN CCS(=O)(=O)NCCN(C)CC1CC1 ZINC000109325496 385338927 /nfs/dbraw/zinc/33/89/27/385338927.db2.gz JNSWKBSJMWRGAF-UHFFFAOYSA-N 0 3 220.338 0.268 20 0 BCADHN C[NH2+]C[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC000168297387 385342297 /nfs/dbraw/zinc/34/22/97/385342297.db2.gz YLUCIYYJIMVQCI-SECBINFHSA-N 0 3 222.288 0.978 20 0 BCADHN CCC(=O)N[C@H]1CCCN(CC(C)(C)O)C1 ZINC000303990702 385348906 /nfs/dbraw/zinc/34/89/06/385348906.db2.gz LIQRUABRGHKXIW-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H](CNC(=O)CCOC1CNC1)C1CC1 ZINC000643982403 385349216 /nfs/dbraw/zinc/34/92/16/385349216.db2.gz CCMYBGLTRIYXHE-VIFPVBQESA-N 0 3 226.320 0.527 20 0 BCADHN Cc1nccc(CN2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000644735025 385351526 /nfs/dbraw/zinc/35/15/26/385351526.db2.gz UGFAQUGOSSIFLQ-AAEUAGOBSA-N 0 3 232.331 0.921 20 0 BCADHN CN1C[C@@H]2CCN(Cc3ccon3)[C@@H]2C1 ZINC000644735101 385352318 /nfs/dbraw/zinc/35/23/18/385352318.db2.gz QIYGHIRVDLRVEM-GXSJLCMTSA-N 0 3 207.277 0.811 20 0 BCADHN CCc1nnc(CN2CC[C@@H]3CN(C)C[C@H]32)[nH]1 ZINC000644735266 385352347 /nfs/dbraw/zinc/35/23/47/385352347.db2.gz RRLQQWNYQRTSAL-NXEZZACHSA-N 0 3 235.335 0.503 20 0 BCADHN CN1C[C@H]2CCN(CC(=O)NC(C)(C)C)[C@@H]2C1 ZINC000644734219 385354906 /nfs/dbraw/zinc/35/49/06/385354906.db2.gz MWFSSYSLIFCPJP-GHMZBOCLSA-N 0 3 239.363 0.537 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H](C)N)CCN1CC(F)F ZINC000158137315 385356217 /nfs/dbraw/zinc/35/62/17/385356217.db2.gz DMSHVLWNXMLTDC-BDAKNGLRSA-N 0 3 249.305 0.522 20 0 BCADHN CC(C)[C@@](C)(CO)NCc1ccn(C)n1 ZINC000309012146 385358903 /nfs/dbraw/zinc/35/89/03/385358903.db2.gz SGJPFNIRCQUDOG-LLVKDONJSA-N 0 3 211.309 0.917 20 0 BCADHN COC1(C)CCN(CCOCCO)CC1 ZINC000309008753 385359368 /nfs/dbraw/zinc/35/93/68/385359368.db2.gz ODVYHWILKABOHM-UHFFFAOYSA-N 0 3 217.309 0.496 20 0 BCADHN C[C@@H](CO)N(C)CCOCC(F)(F)F ZINC000120517205 385360430 /nfs/dbraw/zinc/36/04/30/385360430.db2.gz HHAXXLTWRLUMJX-ZETCQYMHSA-N 0 3 215.215 0.878 20 0 BCADHN CO[C@H](C)[C@@H](C)NC[C@H](O)c1cnn(C)c1 ZINC000168289021 385360709 /nfs/dbraw/zinc/36/07/09/385360709.db2.gz FCUQQCCORDNLEB-KKZNHRDASA-N 0 3 227.308 0.467 20 0 BCADHN C[C@H](N[C@H]1CC(=O)N(C)C1)[C@H]1CCCO1 ZINC000309001349 385362617 /nfs/dbraw/zinc/36/26/17/385362617.db2.gz LNKLMGXGTOTRRJ-LPEHRKFASA-N 0 3 212.293 0.374 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCCOC(C)C ZINC000120530888 385362827 /nfs/dbraw/zinc/36/28/27/385362827.db2.gz BYEAZJZUKAMFAJ-JTQLQIEISA-N 0 3 237.365 0.824 20 0 BCADHN CN1CCC(NC(=O)/C=C\c2ccncn2)CC1 ZINC000492336509 385363288 /nfs/dbraw/zinc/36/32/88/385363288.db2.gz HNACKUMSSIYNKO-IHWYPQMZSA-N 0 3 246.314 0.700 20 0 BCADHN C[C@H](O)CN[C@@H](CO)c1cccc(F)c1 ZINC000309063987 385391206 /nfs/dbraw/zinc/39/12/06/385391206.db2.gz YINPCLFFVIKXLE-KWQFWETISA-N 0 3 213.252 0.830 20 0 BCADHN CCN1CCCN([C@@H]2CCOC2=O)CC1 ZINC000158209964 385365795 /nfs/dbraw/zinc/36/57/95/385365795.db2.gz AZIVQEDRXMXDSW-SNVBAGLBSA-N 0 3 212.293 0.330 20 0 BCADHN COc1ccc(CN(C)[C@H](C)CO)cn1 ZINC000131859476 385365990 /nfs/dbraw/zinc/36/59/90/385365990.db2.gz PRUNMTRHRBKYDR-SECBINFHSA-N 0 3 210.277 0.903 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1Cc1cnn(C)c1 ZINC000295000061 385366369 /nfs/dbraw/zinc/36/63/69/385366369.db2.gz LFHPJSKKHGRETF-MWLCHTKSSA-N 0 3 209.293 0.765 20 0 BCADHN COCCCN(C)CCN1CCOC[C@@H]1C ZINC000192701925 385367746 /nfs/dbraw/zinc/36/77/46/385367746.db2.gz LQJOTVSMVUWYLJ-LBPRGKRZSA-N 0 3 230.352 0.675 20 0 BCADHN Cc1cnc(CNC[C@@H](C)N(C)C)n1C ZINC000309014081 385369265 /nfs/dbraw/zinc/36/92/65/385369265.db2.gz SXYOOVRPWQASMQ-SECBINFHSA-N 0 3 210.325 0.768 20 0 BCADHN NC(=O)CC1CCN([C@H]2CCOC2)CC1 ZINC000408059097 385370915 /nfs/dbraw/zinc/37/09/15/385370915.db2.gz GDKQJIIBHBVVSL-JTQLQIEISA-N 0 3 212.293 0.363 20 0 BCADHN COC(=O)CCN1CCC[C@@]12CCOC2 ZINC000309015819 385371614 /nfs/dbraw/zinc/37/16/14/385371614.db2.gz ZJGDHXSBDJYATK-NSHDSACASA-N 0 3 213.277 0.804 20 0 BCADHN COCc1csc(NC(=O)[C@@H](C)N)n1 ZINC000155213482 385382099 /nfs/dbraw/zinc/38/20/99/385382099.db2.gz PUZMUNBWTMJVFC-RXMQYKEDSA-N 0 3 215.278 0.575 20 0 BCADHN C[C@@H](N)C(=O)NCCN1c2ccccc2CC1=O ZINC000155239275 385382615 /nfs/dbraw/zinc/38/26/15/385382615.db2.gz AGCWUUMNBDHCMA-SECBINFHSA-N 0 3 247.298 0.039 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000309051876 385384324 /nfs/dbraw/zinc/38/43/24/385384324.db2.gz QERPCXLRIXTQSO-RQJHMYQMSA-N 0 3 222.235 0.216 20 0 BCADHN C[C@H](CNC(=O)[C@H](C)N)N1CCc2ccccc21 ZINC000165399725 385388367 /nfs/dbraw/zinc/38/83/67/385388367.db2.gz PERMRTTZZPLEDM-MNOVXSKESA-N 0 3 247.342 0.901 20 0 BCADHN Cc1n[nH]cc1CNC[C@](C)(O)C1CC1 ZINC000308984339 385325327 /nfs/dbraw/zinc/32/53/27/385325327.db2.gz LKVDDMYXSPNCEJ-NSHDSACASA-N 0 3 209.293 0.969 20 0 BCADHN Cc1ccncc1CN1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000377665623 385326299 /nfs/dbraw/zinc/32/62/99/385326299.db2.gz ASSKRKVBHGLGKZ-STQMWFEESA-N 0 3 245.326 0.958 20 0 BCADHN COC(=O)[C@H](C)N[C@@H]1CCCN(C)[C@@H]1C ZINC000308971170 385327510 /nfs/dbraw/zinc/32/75/10/385327510.db2.gz ZMUWRMMTCBHQCD-IVZWLZJFSA-N 0 3 214.309 0.620 20 0 BCADHN Cc1ccncc1CN1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000377665621 385328201 /nfs/dbraw/zinc/32/82/01/385328201.db2.gz ASSKRKVBHGLGKZ-OLZOCXBDSA-N 0 3 245.326 0.958 20 0 BCADHN C[C@@H](NC(=O)[C@H]1NCC1(C)C)C1CCOCC1 ZINC000644035551 385391861 /nfs/dbraw/zinc/39/18/61/385391861.db2.gz RPDFQZHUGXJQHW-MWLCHTKSSA-N 0 3 240.347 0.916 20 0 BCADHN COCC1(NC(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000644034857 385391957 /nfs/dbraw/zinc/39/19/57/385391957.db2.gz ABBDHGLINNKAPZ-QMMMGPOBSA-N 0 3 248.273 0.526 20 0 BCADHN C[C@H](NC[C@@]1(O)CCSC1)c1cn[nH]c1 ZINC000281079830 385393418 /nfs/dbraw/zinc/39/34/18/385393418.db2.gz UKMMTNYKKBZJAJ-WPRPVWTQSA-N 0 3 227.333 0.928 20 0 BCADHN Cc1n[nH]cc1CNCCc1cn[nH]c1 ZINC000309069267 385394098 /nfs/dbraw/zinc/39/40/98/385394098.db2.gz ATPDWSJIFAHXQJ-UHFFFAOYSA-N 0 3 205.265 0.774 20 0 BCADHN C[C@H]1CN(C(=O)[C@H]2NCC2(C)C)CCCO1 ZINC000644045821 385395834 /nfs/dbraw/zinc/39/58/34/385395834.db2.gz MMMKEYQHIHXQSI-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@H](NC[C@H](O)CSC)[C@@H]1CCCO1 ZINC000336765147 385396294 /nfs/dbraw/zinc/39/62/94/385396294.db2.gz NWZAXPUZSAEXMX-DCAQKATOSA-N 0 3 249.376 0.494 20 0 BCADHN CN(CC(F)F)C(=O)[C@@H]1CNCCC1(F)F ZINC000644048093 385396783 /nfs/dbraw/zinc/39/67/83/385396783.db2.gz VZVLIFJEMFYGJR-LURJTMIESA-N 0 3 242.216 0.955 20 0 BCADHN COC[C@@H](C)NC(=O)[C@@H]1CNCCC1(F)F ZINC000644052461 385398510 /nfs/dbraw/zinc/39/85/10/385398510.db2.gz PSXSAXAXNSBHDY-SFYZADRCSA-N 0 3 236.262 0.382 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NC[C@]1(C)CCCO1 ZINC000644051947 385399232 /nfs/dbraw/zinc/39/92/32/385399232.db2.gz SDOUTJVFFQEBRK-SKDRFNHKSA-N 0 3 226.320 0.670 20 0 BCADHN C=Cn1cc(CN2CCC[C@@H](C(N)=O)C2)cn1 ZINC000193577437 385402003 /nfs/dbraw/zinc/40/20/03/385402003.db2.gz DMCHGFNRQLMUBA-LLVKDONJSA-N 0 3 234.303 0.681 20 0 BCADHN CCNC(=O)NC(=O)CN1CCC[C@@H]1CC ZINC000408013998 385404988 /nfs/dbraw/zinc/40/49/88/385404988.db2.gz ICFMNDMWFKNSKI-VIFPVBQESA-N 0 3 227.308 0.707 20 0 BCADHN CCOCCN(CC)C(=O)[C@@H]1NCC1(C)C ZINC000644053771 385405356 /nfs/dbraw/zinc/40/53/56/385405356.db2.gz CGIDOYNBNSODMR-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C)ccn1 ZINC000170234425 385425772 /nfs/dbraw/zinc/42/57/72/385425772.db2.gz PTTRPTIQJBYAEA-UHFFFAOYSA-N 0 3 207.277 0.681 20 0 BCADHN C[C@@H](CN(C)C)Nc1nccc(CO)n1 ZINC000309087119 385410668 /nfs/dbraw/zinc/41/06/68/385410668.db2.gz ZBBDNYLEACHKAI-QMMMGPOBSA-N 0 3 210.281 0.331 20 0 BCADHN COC[C@@](C)(CCO)NC[C@@H](O)C(F)(F)F ZINC000181739695 385413934 /nfs/dbraw/zinc/41/39/34/385413934.db2.gz STROIUMXXSBBOR-HTQZYQBOSA-N 0 3 245.241 0.287 20 0 BCADHN COC[C@](C)(CCO)NC[C@@H](O)C(F)(F)F ZINC000181739716 385414257 /nfs/dbraw/zinc/41/42/57/385414257.db2.gz STROIUMXXSBBOR-SFYZADRCSA-N 0 3 245.241 0.287 20 0 BCADHN CC(C)N1CC[C@@H](N2C[C@H](CO)[C@H](C)C2)C1=O ZINC000362069070 385415867 /nfs/dbraw/zinc/41/58/67/385415867.db2.gz DHYWDPFLBFRNRY-IJLUTSLNSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@H](N)C(=O)NC[C@H](O)c1cccc(F)c1 ZINC000155901400 385420247 /nfs/dbraw/zinc/42/02/47/385420247.db2.gz REFIUTMDRFNZBN-XVKPBYJWSA-N 0 3 226.251 0.323 20 0 BCADHN C[C@H](NCCN1CCC1)c1ccnn1C ZINC000309117060 385423393 /nfs/dbraw/zinc/42/33/93/385423393.db2.gz LYYJFDSJPMONTG-JTQLQIEISA-N 0 3 208.309 0.776 20 0 BCADHN CCCCN(CC(N)=O)C(=O)[C@H]1NCC1(C)C ZINC000644078162 385423615 /nfs/dbraw/zinc/42/36/15/385423615.db2.gz DDVKHZXRJZHUHD-SNVBAGLBSA-N 0 3 241.335 0.098 20 0 BCADHN COCC[C@](C)(O)CNCc1cn(C)nc1C ZINC000179091129 385439189 /nfs/dbraw/zinc/43/91/89/385439189.db2.gz IUFBLGBIBHUGPT-LBPRGKRZSA-N 0 3 241.335 0.606 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000156185832 385439440 /nfs/dbraw/zinc/43/94/40/385439440.db2.gz RCPYMJNMGBSCEB-DTWKUNHWSA-N 0 3 240.328 0.995 20 0 BCADHN COC[C@@H](O)CN1CCC[C@H](OCC2CC2)C1 ZINC000364435174 385439427 /nfs/dbraw/zinc/43/94/27/385439427.db2.gz QOPCIIIQJCXGGG-STQMWFEESA-N 0 3 243.347 0.885 20 0 BCADHN Cc1nn(C)cc1CNCCc1cn[nH]c1 ZINC000289787430 385442101 /nfs/dbraw/zinc/44/21/01/385442101.db2.gz JVPLYUTYQNTGTN-UHFFFAOYSA-N 0 3 219.292 0.784 20 0 BCADHN CO[C@@H](CN(C)CCOCCO)C1CC1 ZINC000400271286 385443315 /nfs/dbraw/zinc/44/33/15/385443315.db2.gz MRSRKNRBLPQWRZ-NSHDSACASA-N 0 3 217.309 0.352 20 0 BCADHN CC[N@H+](CC(=O)N(C)Cc1nnc[n-]1)C1CC1 ZINC000179175242 385448741 /nfs/dbraw/zinc/44/87/41/385448741.db2.gz JJOZKAOZKKKTBU-UHFFFAOYSA-N 0 3 237.307 0.247 20 0 BCADHN CC[N@@H+](CC(=O)N(C)Cc1nnc[n-]1)C1CC1 ZINC000179175242 385448744 /nfs/dbraw/zinc/44/87/44/385448744.db2.gz JJOZKAOZKKKTBU-UHFFFAOYSA-N 0 3 237.307 0.247 20 0 BCADHN CCN(CC(=O)N(C)Cc1nc[nH]n1)C1CC1 ZINC000179175242 385448747 /nfs/dbraw/zinc/44/87/47/385448747.db2.gz JJOZKAOZKKKTBU-UHFFFAOYSA-N 0 3 237.307 0.247 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1CC=CCC1 ZINC000179218797 385452440 /nfs/dbraw/zinc/45/24/40/385452440.db2.gz GXMWRHOFAQITOP-SNVBAGLBSA-N 0 3 211.309 0.956 20 0 BCADHN Cc1nnc(CN[C@H](C)[C@H]2CCOC2)[nH]1 ZINC000309121567 385427968 /nfs/dbraw/zinc/42/79/68/385427968.db2.gz OBNQOBWTZGESPH-APPZFPTMSA-N 0 3 210.281 0.628 20 0 BCADHN C[C@H](O)C(=O)NCCN(C)Cc1ccccc1 ZINC000156048510 385432513 /nfs/dbraw/zinc/43/25/13/385432513.db2.gz NRLKWIIFOPPCBY-NSHDSACASA-N 0 3 236.315 0.615 20 0 BCADHN CCc1cc(N[C@@H]2COC[C@@H]2O)ccn1 ZINC000307789040 385435738 /nfs/dbraw/zinc/43/57/38/385435738.db2.gz RGQJRXYZDRVRPI-MNOVXSKESA-N 0 3 208.261 0.816 20 0 BCADHN C[C@H](O)CN[C@H](CO)c1ccc(F)cc1 ZINC000281453734 385435925 /nfs/dbraw/zinc/43/59/25/385435925.db2.gz UVIUIRAZQHRENY-GZMMTYOYSA-N 0 3 213.252 0.830 20 0 BCADHN CC[C@H](N[C@@H](CC)[C@@H]1CCCO1)C(N)=O ZINC000182274797 385435935 /nfs/dbraw/zinc/43/59/35/385435935.db2.gz PDEUSIDFQXEYEN-GUBZILKMSA-N 0 3 214.309 0.798 20 0 BCADHN CC(C)(C)OC[C@@H](O)CN1C[C@@H](O)C2(CC2)C1 ZINC000364434193 385437981 /nfs/dbraw/zinc/43/79/81/385437981.db2.gz LPMJMUYDJGPGDG-WDEREUQCSA-N 0 3 243.347 0.619 20 0 BCADHN Cc1n[nH]cc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000171105820 385467548 /nfs/dbraw/zinc/46/75/48/385467548.db2.gz SDHZXKYNCUSEMM-QMMMGPOBSA-N 0 3 236.319 0.931 20 0 BCADHN C[C@@H](NCCCC(=O)N(C)C)c1nccn1C ZINC000182661249 385468038 /nfs/dbraw/zinc/46/80/38/385468038.db2.gz GGNVEYOELRFSRA-SNVBAGLBSA-N 0 3 238.335 0.939 20 0 BCADHN C/C=C/C=C/C(=O)NCCNCCOC ZINC000212774044 385468088 /nfs/dbraw/zinc/46/80/88/385468088.db2.gz LOOFDCQLTCLPFI-VNKDHWASSA-N 0 3 212.293 0.471 20 0 BCADHN CCN(CCNC(=O)c1cn[nH]c1)C1CC1 ZINC000171140808 385470302 /nfs/dbraw/zinc/47/03/02/385470302.db2.gz LEZXWHXQKKZFGY-UHFFFAOYSA-N 0 3 222.292 0.624 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000498042943 385473086 /nfs/dbraw/zinc/47/30/86/385473086.db2.gz CSLQPXSAPDPMEX-GARJFASQSA-N 0 3 243.351 0.661 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000498042942 385473095 /nfs/dbraw/zinc/47/30/95/385473095.db2.gz CSLQPXSAPDPMEX-DCAQKATOSA-N 0 3 243.351 0.661 20 0 BCADHN CCOC[C@H](C)N[C@@H](C)C(=O)NCCF ZINC000336771087 385473423 /nfs/dbraw/zinc/47/34/23/385473423.db2.gz WILKSFVPGMGSBE-IUCAKERBSA-N 0 3 220.288 0.475 20 0 BCADHN c1ncn([C@@H]2CCN(CC3=CCCOC3)C2)n1 ZINC000364513852 385475021 /nfs/dbraw/zinc/47/50/21/385475021.db2.gz WFFPOUYCKMILLL-GFCCVEGCSA-N 0 3 234.303 0.872 20 0 BCADHN COC(CN1CCCC[C@@H]1C(=N)NO)OC ZINC000364600047 385478143 /nfs/dbraw/zinc/47/81/43/385478143.db2.gz MZQJBZJDNDAPBM-MRVPVSSYSA-N 0 3 231.296 0.416 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCCn1cccn1 ZINC000157005545 385480504 /nfs/dbraw/zinc/48/05/04/385480504.db2.gz LQXRVCBFKJIYGZ-SNVBAGLBSA-N 0 3 224.308 0.373 20 0 BCADHN CN(CCCn1ccnc1)[C@@H]1CCNC1=O ZINC000179304029 385459220 /nfs/dbraw/zinc/45/92/20/385459220.db2.gz ZYAXQAVLNITOLU-SNVBAGLBSA-N 0 3 222.292 0.094 20 0 BCADHN CC[C@@H](C)CN(C)CC(=O)N1CCNC1=O ZINC000111253250 385499147 /nfs/dbraw/zinc/49/91/47/385499147.db2.gz SGAMLXKJAFBCAR-SECBINFHSA-N 0 3 227.308 0.516 20 0 BCADHN COC(=O)CNC(=O)[C@@H](C)N(C)CC1CCC1 ZINC000111296998 385502963 /nfs/dbraw/zinc/50/29/63/385502963.db2.gz LCNJVPPTSBNQGU-SECBINFHSA-N 0 3 242.319 0.396 20 0 BCADHN CN(C[C@@H]1CCCCO1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000364722802 385506032 /nfs/dbraw/zinc/50/60/32/385506032.db2.gz HVGOYPPMYIHLCD-GARJFASQSA-N 0 3 244.310 0.714 20 0 BCADHN CC[C@H](O)CN1CCC(N2CCNC2=O)CC1 ZINC000106383402 385506551 /nfs/dbraw/zinc/50/65/51/385506551.db2.gz RNXGONXRUCXPGZ-NSHDSACASA-N 0 3 241.335 0.247 20 0 BCADHN CC[C@@H](NC(=O)[C@H](N)CC(F)F)C(=O)OC ZINC000309279903 385509990 /nfs/dbraw/zinc/50/99/90/385509990.db2.gz HPWPOCMCYKQASW-PHDIDXHHSA-N 0 3 238.234 0.037 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)cc(=O)[nH]1 ZINC000180253756 385515379 /nfs/dbraw/zinc/51/53/79/385515379.db2.gz NLKFWXPMUVLDIR-NSHDSACASA-N 0 3 249.314 0.872 20 0 BCADHN CC(C)[C@@H](CO)NCc1cn2cccnc2n1 ZINC000180614309 385532167 /nfs/dbraw/zinc/53/21/67/385532167.db2.gz TUWJCCLIGZNWOQ-LLVKDONJSA-N 0 3 234.303 0.836 20 0 BCADHN Cc1cnn(C)c1CNCCCS(C)(=O)=O ZINC000336729554 385536557 /nfs/dbraw/zinc/53/65/57/385536557.db2.gz HTDDHQBWAUTOEQ-UHFFFAOYSA-N 0 3 245.348 0.253 20 0 BCADHN C[C@H](N)C(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000157952402 385540310 /nfs/dbraw/zinc/54/03/10/385540310.db2.gz UKYZEBNPZHEMGV-JQWIXIFHSA-N 0 3 248.326 0.964 20 0 BCADHN Cc1cnc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cn1 ZINC000644813115 385540907 /nfs/dbraw/zinc/54/09/07/385540907.db2.gz FPGRTYBTJTVSAZ-ZYHUDNBSSA-N 0 3 246.314 0.561 20 0 BCADHN C[C@H](CO)N1CCCN(C(=O)CC2CC2)CC1 ZINC000364932911 385542111 /nfs/dbraw/zinc/54/21/11/385542111.db2.gz FZIGYTODCLKBBU-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H](N)C(=O)NCc1cccc(N(C)C)n1 ZINC000158007543 385543722 /nfs/dbraw/zinc/54/37/22/385543722.db2.gz ZSIYROZAPCWIPL-QMMMGPOBSA-N 0 3 222.292 0.111 20 0 BCADHN N[C@H](CC(F)F)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000309346725 385545414 /nfs/dbraw/zinc/54/54/14/385545414.db2.gz WQEFFUVPOLQNIQ-XLPZGREQSA-N 0 3 236.262 0.246 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@@H](COC)C1CC1 ZINC000183451674 385546217 /nfs/dbraw/zinc/54/62/17/385546217.db2.gz RHIDRIGIYHNIAT-ONGXEEELSA-N 0 3 228.336 0.916 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3c[nH]cn3)[C@H]2C1 ZINC000644813940 385546613 /nfs/dbraw/zinc/54/66/13/385546613.db2.gz HGBZHIYEIZFEOI-SCZZXKLOSA-N 0 3 220.276 0.186 20 0 BCADHN CCOCCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000364957811 385547679 /nfs/dbraw/zinc/54/76/79/385547679.db2.gz VZTBIXVBMIARSB-GARJFASQSA-N 0 3 226.320 0.609 20 0 BCADHN COC(CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)OC ZINC000364958367 385547803 /nfs/dbraw/zinc/54/78/03/385547803.db2.gz YWLAIHWHHZIBMM-ATZCPNFKSA-N 0 3 242.319 0.191 20 0 BCADHN C[C@@H]1CN(c2ncnc(N)c2Cl)[C@@H](C)CN1 ZINC000643023165 385519323 /nfs/dbraw/zinc/51/93/23/385519323.db2.gz ZMIRGMKXWHRXHO-RQJHMYQMSA-N 0 3 241.726 0.899 20 0 BCADHN COCc1nsc(N2C[C@@H](C)NC[C@H]2C)n1 ZINC000643023054 385519484 /nfs/dbraw/zinc/51/94/84/385519484.db2.gz JNFOUPWSDCUXHL-HTQZYQBOSA-N 0 3 242.348 0.871 20 0 BCADHN CC[C@@](C)(CNCC1(S(C)(=O)=O)CC1)OC ZINC000318919261 385521678 /nfs/dbraw/zinc/52/16/78/385521678.db2.gz CPEGFXHNTNIEFS-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN C[C@@H]1C[C@H](C)CN1C(=O)CN1CCNCC1 ZINC000157789999 385521724 /nfs/dbraw/zinc/52/17/24/385521724.db2.gz ZKZGGHCUBPKPCJ-WDEREUQCSA-N 0 3 225.336 0.149 20 0 BCADHN CC[C@](C)(CNCC1(S(C)(=O)=O)CC1)OC ZINC000318919262 385521899 /nfs/dbraw/zinc/52/18/99/385521899.db2.gz CPEGFXHNTNIEFS-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN COC[C@H](NC(=O)[C@@H](C)N)c1ccccc1 ZINC000157775144 385522724 /nfs/dbraw/zinc/52/27/24/385522724.db2.gz AVNGLLLOOVYBPG-KOLCDFICSA-N 0 3 222.288 0.838 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cnccn3)[C@H]2C1 ZINC000644812162 385523987 /nfs/dbraw/zinc/52/39/87/385523987.db2.gz COIMOWAIQRHVBF-KOLCDFICSA-N 0 3 232.287 0.253 20 0 BCADHN CCc1nc(C(=O)NC[C@@H]2C[C@H](F)CN2)co1 ZINC000644142400 385525536 /nfs/dbraw/zinc/52/55/36/385525536.db2.gz RGXUXMAIILZJLC-YUMQZZPRSA-N 0 3 241.266 0.667 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)CCO1 ZINC000644142752 385526835 /nfs/dbraw/zinc/52/68/35/385526835.db2.gz FAVKTQLZASBJHX-RCWTZXSCSA-N 0 3 244.310 0.618 20 0 BCADHN C[C@H](CC(=O)N(C)C)N[C@@H](CO)CC(F)F ZINC000309315882 385527000 /nfs/dbraw/zinc/52/70/00/385527000.db2.gz CZNOIKAYQSPKDZ-HTQZYQBOSA-N 0 3 238.278 0.459 20 0 BCADHN COC(=O)C(C)(C)NC(=O)[C@H](N)CC(F)F ZINC000309412928 385574089 /nfs/dbraw/zinc/57/40/89/385574089.db2.gz JDUBJOZUTFXUTP-RXMQYKEDSA-N 0 3 238.234 0.037 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cncc(F)c3)[C@@H]2C1 ZINC000644815772 385575015 /nfs/dbraw/zinc/57/50/15/385575015.db2.gz QTGGELFNWUNWBH-BXKDBHETSA-N 0 3 249.289 0.997 20 0 BCADHN Cn1cccc(NC(=O)[C@]2(C)CCCCN2)c1=O ZINC000180955625 385557585 /nfs/dbraw/zinc/55/75/85/385557585.db2.gz GYZSPDZCEXJSFL-ZDUSSCGKSA-N 0 3 249.314 0.856 20 0 BCADHN C[C@@H](CNC(=O)N1CC(F)C1)N(C)C ZINC000335146370 385567379 /nfs/dbraw/zinc/56/73/79/385567379.db2.gz LASXCOCCPCJAJG-ZETCQYMHSA-N 0 3 203.261 0.300 20 0 BCADHN CCN(CC)Cc1cccc(NC(=O)C(N)=O)c1 ZINC000181212125 385567406 /nfs/dbraw/zinc/56/74/06/385567406.db2.gz QBJSPDIEEGIBKX-UHFFFAOYSA-N 0 3 249.314 0.952 20 0 BCADHN O=C(CNC[C@H]1CCC=CO1)N1CCOCC1 ZINC000181232927 385567664 /nfs/dbraw/zinc/56/76/64/385567664.db2.gz XKJAMAHXKGMCIV-LLVKDONJSA-N 0 3 240.303 0.128 20 0 BCADHN CNC(=O)NC(=O)CN(C)CCC(C)(C)C ZINC000592145436 385568174 /nfs/dbraw/zinc/56/81/74/385568174.db2.gz ZYYRGEOVVHYNBW-UHFFFAOYSA-N 0 3 229.324 0.810 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@H]21)n1cccn1 ZINC000644815620 385570067 /nfs/dbraw/zinc/57/00/67/385570067.db2.gz RACSGSLKURUJHV-IJLUTSLNSA-N 0 3 248.330 0.607 20 0 BCADHN CC[C@H](N)C(=O)N(C[C@@H](C)OC)C(C)C ZINC000309402547 385571279 /nfs/dbraw/zinc/57/12/79/385571279.db2.gz HPQJXCSKIGJWIZ-ZJUUUORDSA-N 0 3 216.325 0.996 20 0 BCADHN CC(C)[C@@H](CO)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000309402365 385571425 /nfs/dbraw/zinc/57/14/25/385571425.db2.gz WOCYSBJTYLZBII-WCBMZHEXSA-N 0 3 225.292 0.437 20 0 BCADHN CC(C)[C@@H](CO)N[C@H](C)c1ccc(=O)[nH]n1 ZINC000309402364 385571731 /nfs/dbraw/zinc/57/17/31/385571731.db2.gz WOCYSBJTYLZBII-PSASIEDQSA-N 0 3 225.292 0.437 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000309465320 385595541 /nfs/dbraw/zinc/59/55/41/385595541.db2.gz PDHRYCBAVVWMJE-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@H](O)CN[C@@]1(CC(=O)OC)CCOC1 ZINC000309475174 385597110 /nfs/dbraw/zinc/59/71/10/385597110.db2.gz RRDIVVBOEXPJCK-GXSJLCMTSA-N 0 3 231.292 0.069 20 0 BCADHN CCCCN1CCC[C@H]1CS(N)(=O)=O ZINC000408168820 385597965 /nfs/dbraw/zinc/59/79/65/385597965.db2.gz LXZWCPYGTDXWGX-VIFPVBQESA-N 0 3 220.338 0.539 20 0 BCADHN CC[C@@H](C)N1CCN(CC(=O)N(C)C)CC1 ZINC000337330034 385599106 /nfs/dbraw/zinc/59/91/06/385599106.db2.gz FYPXLPGDQVFNEF-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN CO[C@H](C)CCC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644816917 385599414 /nfs/dbraw/zinc/59/94/14/385599414.db2.gz XWKOKDIOKWGDHD-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN COC[C@H](NCCF)C1CCOCC1 ZINC000336650533 385606798 /nfs/dbraw/zinc/60/67/98/385606798.db2.gz IVBVZCPAPNDITA-JTQLQIEISA-N 0 3 205.273 0.987 20 0 BCADHN Cc1coc(C)c1C(=O)N[C@H](CO)CN(C)C ZINC000647710833 385604182 /nfs/dbraw/zinc/60/41/82/385604182.db2.gz RAZDZXVAFXUCRO-JTQLQIEISA-N 0 3 240.303 0.549 20 0 BCADHN COC[C@H](N[C@@H]1CCO[C@@H]1C)[C@H]1CCCO1 ZINC000309437481 385581776 /nfs/dbraw/zinc/58/17/76/385581776.db2.gz HQDRDXVAOVPZKO-WISYIIOYSA-N 0 3 229.320 0.947 20 0 BCADHN CC[C@H]1COCCN1C(=O)[C@H](N)CC(F)F ZINC000309440099 385583273 /nfs/dbraw/zinc/58/32/73/385583273.db2.gz NTTXDEIXJVGEPN-JGVFFNPUSA-N 0 3 236.262 0.606 20 0 BCADHN COC(=O)c1cc(CNCCCO)cn1C ZINC000309446123 385586602 /nfs/dbraw/zinc/58/66/02/385586602.db2.gz JUWZRETZJAPRNZ-UHFFFAOYSA-N 0 3 226.276 0.284 20 0 BCADHN CCOC(=O)[C@@H](C)N(C)CCN1CCCC1 ZINC000063052303 385586906 /nfs/dbraw/zinc/58/69/06/385586906.db2.gz RJFSXRVSUGBQHH-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC(C)[C@@H](O)CN[C@H](C(N)=O)C(C)(C)C ZINC000336649059 385587418 /nfs/dbraw/zinc/58/74/18/385587418.db2.gz FOEAHJLTXGZLIB-DTWKUNHWSA-N 0 3 216.325 0.493 20 0 BCADHN CC(C)[C@H](O)CN[C@@H]1C(=O)NCC[C@@H]1C ZINC000336649197 385589755 /nfs/dbraw/zinc/58/97/55/385589755.db2.gz FYXAGNPJYCWUEK-AEJSXWLSSA-N 0 3 214.309 0.118 20 0 BCADHN Cc1cnn(CC(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC000644816528 385589964 /nfs/dbraw/zinc/58/99/64/385589964.db2.gz VSPHNAFBBTVZMS-RYUDHWBXSA-N 0 3 248.330 0.354 20 0 BCADHN Cc1cn[nH]c1CN1CCN2CCOC[C@H]2C1 ZINC000365668803 385590542 /nfs/dbraw/zinc/59/05/42/385590542.db2.gz YZXXLHQVJRQXOQ-LLVKDONJSA-N 0 3 236.319 0.235 20 0 BCADHN Cc1nnccc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644820799 385616375 /nfs/dbraw/zinc/61/63/75/385616375.db2.gz ZVMTWEOBVDGFII-JQWIXIFHSA-N 0 3 246.314 0.561 20 0 BCADHN C[C@@H](O)CN1CCN(CCC(C)(C)O)[C@H](C)C1 ZINC000337353992 385617894 /nfs/dbraw/zinc/61/78/94/385617894.db2.gz ARHDGPNHHHNJFX-VXGBXAGGSA-N 0 3 244.379 0.534 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC(CO)CC1 ZINC000408198743 385618874 /nfs/dbraw/zinc/61/88/74/385618874.db2.gz OMYKJHUROHZNRW-LLVKDONJSA-N 0 3 215.293 0.031 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@H](C)C[C@H](C)O ZINC000336678825 385619158 /nfs/dbraw/zinc/61/91/58/385619158.db2.gz QPNFGXDQPXQOQK-KXUCPTDWSA-N 0 3 216.325 0.493 20 0 BCADHN CC[C@@H](C)OCC(=O)NC[C@@H](C)N(C)C ZINC000337359953 385619840 /nfs/dbraw/zinc/61/98/40/385619840.db2.gz FOPVJVUGKVQQKI-NXEZZACHSA-N 0 3 216.325 0.868 20 0 BCADHN COC[C@@H](CO)N[C@@H](C)c1cccc(CO)c1 ZINC000280949079 385620431 /nfs/dbraw/zinc/62/04/31/385620431.db2.gz JNIYILGBGZSVEY-GXFFZTMASA-N 0 3 239.315 0.837 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cnn(C)c2)C1 ZINC000644820971 385620538 /nfs/dbraw/zinc/62/05/38/385620538.db2.gz YWPKERRHJCKCDJ-ONGXEEELSA-N 0 3 234.303 0.196 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cnn(C)c3)[C@H]2C1 ZINC000644820968 385620613 /nfs/dbraw/zinc/62/06/13/385620613.db2.gz YWPKERRHJCKCDJ-KOLCDFICSA-N 0 3 234.303 0.196 20 0 BCADHN C[C@@H](CNCc1ncc[nH]1)N(C)C1CC1 ZINC000066594041 385621300 /nfs/dbraw/zinc/62/13/00/385621300.db2.gz MVVOHHVLSHIVTG-VIFPVBQESA-N 0 3 208.309 0.982 20 0 BCADHN COC(=O)C1(CNC(=O)CNC(C)C)CC1 ZINC000595250740 385621995 /nfs/dbraw/zinc/62/19/95/385621995.db2.gz PRVZKDQTZZQSTB-UHFFFAOYSA-N 0 3 228.292 0.054 20 0 BCADHN Cn1cccc1CN[C@@H](CO)[C@@H]1CCCO1 ZINC000309499246 385623669 /nfs/dbraw/zinc/62/36/69/385623669.db2.gz LAORUQSDMQZWEQ-RYUDHWBXSA-N 0 3 224.304 0.655 20 0 BCADHN COC[C@@H](C)NCC1(S(C)(=O)=O)CCCC1 ZINC000309498141 385625251 /nfs/dbraw/zinc/62/52/51/385625251.db2.gz ZALDYTUPYXRPOT-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN CC[C@H](O)CCNC(=O)NC[C@H]1CCCN1C ZINC000119231539 385625354 /nfs/dbraw/zinc/62/53/54/385625354.db2.gz KIHDNGSBGQUMDF-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN C[C@@H](NC(=O)NCCF)C1=CCN(C)CC1 ZINC000281022939 385627928 /nfs/dbraw/zinc/62/79/28/385627928.db2.gz PSIRRCJKSMQATN-SECBINFHSA-N 0 3 229.299 0.906 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCOCC2(CC2)C1 ZINC000408182803 385628476 /nfs/dbraw/zinc/62/84/76/385628476.db2.gz MLMLGUDXVSOEFX-LLVKDONJSA-N 0 3 243.303 0.023 20 0 BCADHN CCCOCC(=O)NCCN(C)C1CC1 ZINC000065621058 385630550 /nfs/dbraw/zinc/63/05/50/385630550.db2.gz JISPYQUFBMCRRT-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CCS(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000066105766 385631762 /nfs/dbraw/zinc/63/17/62/385631762.db2.gz QHSKOTARRARYJV-SNVBAGLBSA-N 0 3 232.349 0.506 20 0 BCADHN C[C@H](Cn1cccn1)N[C@@H](C)C(=O)NCCF ZINC000337398261 385633755 /nfs/dbraw/zinc/63/37/55/385633755.db2.gz CJZJSEJSRFOOEP-ZJUUUORDSA-N 0 3 242.298 0.335 20 0 BCADHN C[C@@H](Cn1cccn1)N[C@@H](C)C(=O)NCCF ZINC000337398258 385635199 /nfs/dbraw/zinc/63/51/99/385635199.db2.gz CJZJSEJSRFOOEP-UWVGGRQHSA-N 0 3 242.298 0.335 20 0 BCADHN O=C1NCC[C@@H]1N1CCC(CCCO)CC1 ZINC000408174259 385608056 /nfs/dbraw/zinc/60/80/56/385608056.db2.gz HYRJDHGGQLLVTL-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN CC[C@@H](CN[C@H](C)CS(C)(=O)=O)OC ZINC000336650265 385608873 /nfs/dbraw/zinc/60/88/73/385608873.db2.gz ANQBQKCQBFJJDS-BDAKNGLRSA-N 0 3 223.338 0.434 20 0 BCADHN Cn1nccc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000594642855 385610637 /nfs/dbraw/zinc/61/06/37/385610637.db2.gz QVPKWPQZRLRUAX-NSHDSACASA-N 0 3 248.330 0.634 20 0 BCADHN Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cn1 ZINC000366559731 385611378 /nfs/dbraw/zinc/61/13/78/385611378.db2.gz ZHCGZFZWCLBHQH-QWRGUYRKSA-N 0 3 237.278 0.820 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)[nH]n1 ZINC000594642974 385611599 /nfs/dbraw/zinc/61/15/99/385611599.db2.gz SLZCRLVDVTUPLD-NSHDSACASA-N 0 3 248.330 0.932 20 0 BCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C1CC(=O)C1 ZINC000137223561 385612642 /nfs/dbraw/zinc/61/26/42/385612642.db2.gz HQXAOZMYLVTVJS-SKDRFNHKSA-N 0 3 238.331 0.764 20 0 BCADHN CCC[C@@](C)(O)CNC(=O)CN(CC)CC ZINC000337443566 385664671 /nfs/dbraw/zinc/66/46/71/385664671.db2.gz HJBHKNBSAZNXSA-GFCCVEGCSA-N 0 3 230.352 0.996 20 0 BCADHN COC(=O)[C@@](C)(O)CN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000408184710 385638013 /nfs/dbraw/zinc/63/80/13/385638013.db2.gz ZHKGLBBLWGIFOA-WYFGTUCQSA-N 0 3 245.319 0.144 20 0 BCADHN CN(CCN1CCCC1)C[C@@H](O)C(F)(F)F ZINC000082680330 385638130 /nfs/dbraw/zinc/63/81/30/385638130.db2.gz URMIZIXRAOVLKP-SECBINFHSA-N 0 3 240.269 0.937 20 0 BCADHN C[C@@H](CNC(=O)c1cn(C)cn1)N(C)C ZINC000340072557 385638437 /nfs/dbraw/zinc/63/84/37/385638437.db2.gz LQANXGUIZFJETL-QMMMGPOBSA-N 0 3 210.281 0.100 20 0 BCADHN CCN(CC(=O)NC)C[C@H]1CCOC1 ZINC000052072270 385638910 /nfs/dbraw/zinc/63/89/10/385638910.db2.gz AVALZKIWZKZNDU-SECBINFHSA-N 0 3 200.282 0.091 20 0 BCADHN CN(C)CCN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000309502951 385639525 /nfs/dbraw/zinc/63/95/25/385639525.db2.gz AGYCAFOWSJQFDJ-GHMZBOCLSA-N 0 3 248.392 0.493 20 0 BCADHN COC(=O)[C@H]1CCCN(CCCO)C1 ZINC000067227593 385640368 /nfs/dbraw/zinc/64/03/68/385640368.db2.gz BZTMMLQPFBLAIT-VIFPVBQESA-N 0 3 201.266 0.254 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)nn1C ZINC000644822005 385641735 /nfs/dbraw/zinc/64/17/35/385641735.db2.gz IJFFOCSPCLUTRN-PWSUYJOCSA-N 0 3 248.330 0.505 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000055421333 385642482 /nfs/dbraw/zinc/64/24/82/385642482.db2.gz VOLVHCVCPRTSRT-ZETCQYMHSA-N 0 3 222.244 0.962 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3CCOCC3)[C@@H]2C1 ZINC000644822452 385644133 /nfs/dbraw/zinc/64/41/33/385644133.db2.gz SZVZSFWPEIHOMG-VXGBXAGGSA-N 0 3 238.331 0.576 20 0 BCADHN Cc1nnccc1C(=O)NCCN(C)C ZINC000269893576 385644166 /nfs/dbraw/zinc/64/41/66/385644166.db2.gz MHLTZOHSVKBWMX-UHFFFAOYSA-N 0 3 208.265 0.076 20 0 BCADHN CCN(CC)CC(=O)N1CCc2n[nH]nc2C1 ZINC000337414614 385645836 /nfs/dbraw/zinc/64/58/36/385645836.db2.gz SMVCDMUGQSOPMN-UHFFFAOYSA-N 0 3 237.307 0.031 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1CCCN(C)CC1 ZINC000281235764 385647097 /nfs/dbraw/zinc/64/70/97/385647097.db2.gz SMZPKPQTOOZADR-UHFFFAOYSA-N 0 3 236.319 0.425 20 0 BCADHN Cc1cnn(CCNC(=O)[C@@H](N)C(C)C)c1 ZINC000182223612 385647153 /nfs/dbraw/zinc/64/71/53/385647153.db2.gz CBTSQPCOQVNQCY-JTQLQIEISA-N 0 3 224.308 0.291 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000337402174 385648296 /nfs/dbraw/zinc/64/82/96/385648296.db2.gz LBLMXDIRKGKBHJ-TUAOUCFPSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@@H](N[C@@H](C)c1ncnn1C)[C@H]1CCOC1 ZINC000309517012 385649576 /nfs/dbraw/zinc/64/95/76/385649576.db2.gz YYOAGBXTXMBFON-UTLUCORTSA-N 0 3 224.308 0.891 20 0 BCADHN CC(C)[C@H](O)CN1CCCC[C@]1(C)C(N)=O ZINC000366591372 385650027 /nfs/dbraw/zinc/65/00/27/385650027.db2.gz LATDLMCLSSXFOH-ZYHUDNBSSA-N 0 3 228.336 0.733 20 0 BCADHN CC(C(N)=O)S(=O)(=O)CC(C)(C)C ZINC000308163393 385653473 /nfs/dbraw/zinc/65/34/73/385653473.db2.gz WJTPHZXLIXEMFJ-ZCFIWIBFSA-N 0 3 207.295 0.321 20 0 BCADHN C[C@H](O)CN1CCN(C[C@H]2CCOC2)[C@@H](C)C1 ZINC000337424579 385656051 /nfs/dbraw/zinc/65/60/51/385656051.db2.gz RNGOXPSYFVURKC-RWMBFGLXSA-N 0 3 242.363 0.410 20 0 BCADHN CC(C)C(=O)NCCN(C)CCC[C@H](C)O ZINC000354740517 385656933 /nfs/dbraw/zinc/65/69/33/385656933.db2.gz WFOOIFPNXMBXGD-NSHDSACASA-N 0 3 230.352 0.851 20 0 BCADHN CCC[C@@]1(NCC(=O)N(C)C)CCOC1 ZINC000336734175 385659392 /nfs/dbraw/zinc/65/93/92/385659392.db2.gz MXOFKCOMOHRCKC-LLVKDONJSA-N 0 3 214.309 0.623 20 0 BCADHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)N(C)C)C1(C)C ZINC000309521868 385659867 /nfs/dbraw/zinc/65/98/67/385659867.db2.gz CEGUIQAXSGRCEI-FBIMIBRVSA-N 0 3 228.336 0.724 20 0 BCADHN COCCCCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644824800 385666044 /nfs/dbraw/zinc/66/60/44/385666044.db2.gz ZWYNRDJAJRGDOE-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CSC[C@H](O)CN(C)C1CC(O)C1 ZINC000308156431 385661259 /nfs/dbraw/zinc/66/12/59/385661259.db2.gz BCAJNLZPXROSDS-AMDVSUOASA-N 0 3 205.323 0.165 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1CCOC1)N(C)C ZINC000337434961 385661615 /nfs/dbraw/zinc/66/16/15/385661615.db2.gz AQIRVYRFFSAQLZ-VHSXEESVSA-N 0 3 214.309 0.478 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@]1(C)CCOC1 ZINC000270072710 385663455 /nfs/dbraw/zinc/66/34/55/385663455.db2.gz CYMTYPSPURALLI-ZWNMCFTASA-N 0 3 212.293 0.399 20 0 BCADHN CCO[C@H](C)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644824737 385663620 /nfs/dbraw/zinc/66/36/20/385663620.db2.gz ZHGWWPUWXVQWJL-GMTAPVOTSA-N 0 3 226.320 0.574 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC1(CO)CCC1 ZINC000184527443 385672654 /nfs/dbraw/zinc/67/26/54/385672654.db2.gz SPCIMWWKAQEZOH-VIFPVBQESA-N 0 3 235.349 0.172 20 0 BCADHN CCN(CC)CC(=O)NCCC[C@H](C)CO ZINC000337476585 385678810 /nfs/dbraw/zinc/67/88/10/385678810.db2.gz UIJMRFOMXUZUEY-NSHDSACASA-N 0 3 230.352 0.853 20 0 BCADHN Cc1cn[nH]c1CNC[C@H]1CCCS1(=O)=O ZINC000336684903 385679070 /nfs/dbraw/zinc/67/90/70/385679070.db2.gz IDSLVGLVDDGMGD-SECBINFHSA-N 0 3 243.332 0.385 20 0 BCADHN CCN(CC)CC(=O)NCC1=CCN(C)CC1 ZINC000337479823 385679227 /nfs/dbraw/zinc/67/92/27/385679227.db2.gz VXWVQNCOIKJWIP-UHFFFAOYSA-N 0 3 239.363 0.706 20 0 BCADHN C[C@H](NCC1([S@](C)=O)CC1)c1cnn(C)c1 ZINC000309543192 385679348 /nfs/dbraw/zinc/67/93/48/385679348.db2.gz GGCQNPHVZOKAEY-FVMDXXJSSA-N 0 3 241.360 0.982 20 0 BCADHN O=C(NCCN1CCCCC1)C1(O)CCC1 ZINC000408194057 385680702 /nfs/dbraw/zinc/68/07/02/385680702.db2.gz GHDXBSWYTGIHGK-UHFFFAOYSA-N 0 3 226.320 0.504 20 0 BCADHN CC(=O)[C@](C)(O)CN1CC[C@@H](C)[C@@H](O)C1 ZINC000408455479 385681357 /nfs/dbraw/zinc/68/13/57/385681357.db2.gz DIBSXKAYFJDFHG-DVVUODLYSA-N 0 3 215.293 0.029 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@H]1CO ZINC000337480913 385681678 /nfs/dbraw/zinc/68/16/78/385681678.db2.gz WUVXBUVHABXTHF-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN CCN(CC(N)=O)C[C@H]1CCSC1 ZINC000336653514 385681783 /nfs/dbraw/zinc/68/17/83/385681783.db2.gz MGSRHMSCGRKSNX-MRVPVSSYSA-N 0 3 202.323 0.547 20 0 BCADHN CO[C@]1(C)C[C@H](N[C@@H]2CCNC2=O)C1(C)C ZINC000309549257 385681761 /nfs/dbraw/zinc/68/17/61/385681761.db2.gz HPVGMDCEXWOHQF-VDDIYKPWSA-N 0 3 226.320 0.668 20 0 BCADHN CN(C[C@H](O)CN1CCSCC1)C1CC1 ZINC000336685291 385686191 /nfs/dbraw/zinc/68/61/91/385686191.db2.gz KQPWTIBGXJUKCC-NSHDSACASA-N 0 3 230.377 0.490 20 0 BCADHN CCN(CC)CC(=O)N[C@](C)(CC)CCO ZINC000337499191 385693335 /nfs/dbraw/zinc/69/33/35/385693335.db2.gz KVJUUGMHUWMRIK-GFCCVEGCSA-N 0 3 230.352 0.996 20 0 BCADHN CCN(CC)CC(=O)N[C@@](C)(CC)CCO ZINC000337499192 385693488 /nfs/dbraw/zinc/69/34/88/385693488.db2.gz KVJUUGMHUWMRIK-LBPRGKRZSA-N 0 3 230.352 0.996 20 0 BCADHN C[C@@H]1CN(CCn2ccccc2=O)C[C@H](C)N1C ZINC000645231312 385693570 /nfs/dbraw/zinc/69/35/70/385693570.db2.gz ZCCUGWPSJNYJHV-BETUJISGSA-N 0 3 249.358 0.873 20 0 BCADHN O=C1CCN(Cc2ccc(CO)cc2)CCN1 ZINC000182745375 385701062 /nfs/dbraw/zinc/70/10/62/385701062.db2.gz HUWKHIXDAVOLCS-UHFFFAOYSA-N 0 3 234.299 0.501 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](CO)C(C)(C)C ZINC000337521178 385701936 /nfs/dbraw/zinc/70/19/36/385701936.db2.gz PKEMQKLZYOHIFZ-JTQLQIEISA-N 0 3 230.352 0.851 20 0 BCADHN CCN(CC)CC(=O)N[C@H](CO)C(C)(C)C ZINC000337521179 385702150 /nfs/dbraw/zinc/70/21/50/385702150.db2.gz PKEMQKLZYOHIFZ-SNVBAGLBSA-N 0 3 230.352 0.851 20 0 BCADHN COC(=O)C(C)(C)CCN(C)CCOCCO ZINC000337550702 385706108 /nfs/dbraw/zinc/70/61/08/385706108.db2.gz RMBZHHZBQSEZOS-UHFFFAOYSA-N 0 3 247.335 0.516 20 0 BCADHN CC[C@H](N)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000335478297 385713470 /nfs/dbraw/zinc/71/34/70/385713470.db2.gz SGUXHJQZDZYXHJ-QWRGUYRKSA-N 0 3 227.352 0.522 20 0 BCADHN C[C@](O)(CO)CNCc1ccc(C(F)F)nc1 ZINC000631126699 385667044 /nfs/dbraw/zinc/66/70/44/385667044.db2.gz UHSRHUJYXZSWFB-LLVKDONJSA-N 0 3 246.257 0.852 20 0 BCADHN Cc1nc(CNC[C@]2(O)CCN(C)C2)cs1 ZINC000309524996 385667666 /nfs/dbraw/zinc/66/76/66/385667666.db2.gz CLQASXOHAMUTKL-LLVKDONJSA-N 0 3 241.360 0.608 20 0 BCADHN CCNC(=O)NC(=O)CN1CC[C@@H](C)[C@@H]1CC ZINC000185657059 385730532 /nfs/dbraw/zinc/73/05/32/385730532.db2.gz IGMHWXDRWOQTKU-ZJUUUORDSA-N 0 3 241.335 0.953 20 0 BCADHN Cc1cn[nH]c1CN[C@H]1C(=O)NCC[C@H]1C ZINC000289924858 385731375 /nfs/dbraw/zinc/73/13/75/385731375.db2.gz SPCBHIHFIHYEPG-GMSGAONNSA-N 0 3 222.292 0.332 20 0 BCADHN CN(CCCNC(=O)CO)Cc1ccccc1 ZINC000270729105 385736341 /nfs/dbraw/zinc/73/63/41/385736341.db2.gz BZDOMCAIXCRYFZ-UHFFFAOYSA-N 0 3 236.315 0.617 20 0 BCADHN CC[C@@H](C)N(CCO)CC(=O)N1CCCC1 ZINC000336654776 385740618 /nfs/dbraw/zinc/74/06/18/385740618.db2.gz KIVKMDNRDLEPBS-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN CN(C)CCOc1ccc(NC(=O)CO)cc1 ZINC000270779065 385743818 /nfs/dbraw/zinc/74/38/18/385743818.db2.gz SOQGKOBEBBDHTE-UHFFFAOYSA-N 0 3 238.287 0.558 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CSC[C@H]1C ZINC000336696706 385746002 /nfs/dbraw/zinc/74/60/02/385746002.db2.gz ULFDDOSOCUARKD-BDAKNGLRSA-N 0 3 216.350 0.806 20 0 BCADHN C[C@@H](C(=O)N[C@H]1C[C@@H](O)C1)N1[C@H](C)CC[C@@H]1C ZINC000408463083 385746557 /nfs/dbraw/zinc/74/65/57/385746557.db2.gz BADZFSUCPMCSKL-KZZRWZIVSA-N 0 3 240.347 0.887 20 0 BCADHN CN(C)Cc1ccccc1CNC(=O)CO ZINC000270828848 385748818 /nfs/dbraw/zinc/74/88/18/385748818.db2.gz SNHWNZADDYNTMV-UHFFFAOYSA-N 0 3 222.288 0.357 20 0 BCADHN CC[C@@H](COC)N[C@@H]1CCCN(C)C1=O ZINC000336736767 385750339 /nfs/dbraw/zinc/75/03/39/385750339.db2.gz PQLMHKWDLZWRLC-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN COCC[C@H]1COCCN1C[C@H](O)C(C)C ZINC000366613524 385751986 /nfs/dbraw/zinc/75/19/86/385751986.db2.gz AMMCVCSDJUYZFD-RYUDHWBXSA-N 0 3 231.336 0.741 20 0 BCADHN CC[C@@H](COC)NC[C@H]1CCCCS1(=O)=O ZINC000309626745 385754586 /nfs/dbraw/zinc/75/45/86/385754586.db2.gz GBCMFCQPTFVRIT-WDEREUQCSA-N 0 3 249.376 0.968 20 0 BCADHN CNCC(=O)Nc1cc(C(N)=O)sc1C ZINC000309635028 385758162 /nfs/dbraw/zinc/75/81/62/385758162.db2.gz LZJXKZGXJNYXSK-UHFFFAOYSA-N 0 3 227.289 0.313 20 0 BCADHN CS[C@H]1CN(c2ncccn2)C[C@H]1N(C)C ZINC000270923924 385760284 /nfs/dbraw/zinc/76/02/84/385760284.db2.gz BHKGNUBOTMIBOK-ZJUUUORDSA-N 0 3 238.360 0.958 20 0 BCADHN Cn1nccc1CCN1CCCC[C@H]1CO ZINC000230886453 385762267 /nfs/dbraw/zinc/76/22/67/385762267.db2.gz CQQOOHFJJHJESE-LBPRGKRZSA-N 0 3 223.320 0.809 20 0 BCADHN CN(C)CCNC(=O)c1cnccc1N(C)C ZINC000183461288 385763044 /nfs/dbraw/zinc/76/30/44/385763044.db2.gz OUMJMOZIBJXQDI-UHFFFAOYSA-N 0 3 236.319 0.439 20 0 BCADHN C[C@@H](N[C@@H]1CCC(=O)NC1)c1cn[nH]c1 ZINC000336701379 385763366 /nfs/dbraw/zinc/76/33/66/385763366.db2.gz PRARDFSTECBAJB-VXNVDRBHSA-N 0 3 208.265 0.339 20 0 BCADHN CCN(CCn1ccnc1)[C@H]1CCNC1=O ZINC000282474913 385763989 /nfs/dbraw/zinc/76/39/89/385763989.db2.gz UYLMNWURXATEEU-JTQLQIEISA-N 0 3 222.292 0.094 20 0 BCADHN CCCCN(C)CCNC(=O)N[C@@H]1CCOC1 ZINC000337723072 385765332 /nfs/dbraw/zinc/76/53/32/385765332.db2.gz KGXFCVWAHDOZJN-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN COC[C@@H](CC(C)C)N[C@@H]1CC(=O)N(C)C1 ZINC000309665298 385775607 /nfs/dbraw/zinc/77/56/07/385775607.db2.gz SYFORBUNHZGOFV-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN CCC[C@H](O)CN1CC[C@H](OC(=O)N(C)C)C1 ZINC000495869794 385778332 /nfs/dbraw/zinc/77/83/32/385778332.db2.gz RITSBMTYDPPYLL-QWRGUYRKSA-N 0 3 244.335 0.920 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]CCC[NH3+])c(F)c1 ZINC000122691189 385723173 /nfs/dbraw/zinc/72/31/73/385723173.db2.gz YPBAQSWMEOSWDR-UHFFFAOYSA-N 0 3 246.307 0.761 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](CO)[C@@H]1C ZINC000337590328 385723199 /nfs/dbraw/zinc/72/31/99/385723199.db2.gz HGSUCKNJHFUUNU-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](C)[C@H]1CO ZINC000337591273 385723913 /nfs/dbraw/zinc/72/39/13/385723913.db2.gz IFYZGRAVSDOOMD-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](CO)[C@H]1C ZINC000337590326 385724198 /nfs/dbraw/zinc/72/41/98/385724198.db2.gz HGSUCKNJHFUUNU-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN COCCn1cc(CNC(C)(C)[C@H](C)O)cn1 ZINC000270618069 385725955 /nfs/dbraw/zinc/72/59/55/385725955.db2.gz BOTQDUSWJJIPTJ-JTQLQIEISA-N 0 3 241.335 0.779 20 0 BCADHN Cc1cn[nH]c1CN[C@@H](CO)[C@@H]1CCCO1 ZINC000336710219 385798252 /nfs/dbraw/zinc/79/82/52/385798252.db2.gz ROCUAMGKVVAWNN-QWRGUYRKSA-N 0 3 225.292 0.348 20 0 BCADHN Cc1c(C(=O)NCC2=CCN(C)CC2)cnn1C ZINC000271873639 385856372 /nfs/dbraw/zinc/85/63/72/385856372.db2.gz LZFHWMDEEGIJSG-UHFFFAOYSA-N 0 3 248.330 0.720 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@H](C)CC(=O)OCC ZINC000602517341 385799745 /nfs/dbraw/zinc/79/97/45/385799745.db2.gz YVZOOPYXVPVMHG-ZJUUUORDSA-N 0 3 244.335 0.690 20 0 BCADHN CC1(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000363877432 385801579 /nfs/dbraw/zinc/80/15/79/385801579.db2.gz DBIDDADDKUSXFB-MNOVXSKESA-N 0 3 238.331 0.766 20 0 BCADHN C[C@@H](CN[C@@H](C)CS(C)(=O)=O)CN(C)C ZINC000336712529 385801879 /nfs/dbraw/zinc/80/18/79/385801879.db2.gz UZEYGKCFDCBZLU-UWVGGRQHSA-N 0 3 236.381 0.207 20 0 BCADHN C[C@H](CN[C@@H](C)CS(C)(=O)=O)CN(C)C ZINC000336712532 385801917 /nfs/dbraw/zinc/80/19/17/385801917.db2.gz UZEYGKCFDCBZLU-ZJUUUORDSA-N 0 3 236.381 0.207 20 0 BCADHN 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385906806 /nfs/dbraw/zinc/90/68/06/385906806.db2.gz INMCEIIADKFJGY-UWVGGRQHSA-N 0 3 241.335 0.064 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1C[C@H]1C(F)F ZINC000338154355 385907207 /nfs/dbraw/zinc/90/72/07/385907207.db2.gz PGGKZAQJJGXCMZ-SFYZADRCSA-N 0 3 220.263 0.956 20 0 BCADHN CCN(C)CCNC(=O)c1cc2n(n1)CCC2 ZINC000294877534 385907762 /nfs/dbraw/zinc/90/77/62/385907762.db2.gz DAKGRCSGKUSAPA-UHFFFAOYSA-N 0 3 236.319 0.511 20 0 BCADHN CCN(CCO)C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000272577751 385915203 /nfs/dbraw/zinc/91/52/03/385915203.db2.gz RLTDXYGUEOMPKO-JTQLQIEISA-N 0 3 243.303 0.537 20 0 BCADHN CCOC[C@H](C)N[C@H](C)C[S@](C)=O ZINC000164414457 385917456 /nfs/dbraw/zinc/91/74/56/385917456.db2.gz RVDFVMKNYAJCBU-IGJMFERPSA-N 0 3 207.339 0.768 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000236938188 259678169 /nfs/dbraw/zinc/67/81/69/259678169.db2.gz KGZWUNIZIKWBEX-UTLUCORTSA-N 0 3 230.308 0.034 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000122489124 385923031 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ATMFUNGTSCYLPK-UHFFFAOYSA-N 0 3 239.363 0.492 20 0 BCADHN CC(C)N(C)C(=O)CN[C@H](C)[C@@H](C)CO ZINC000228721638 385866956 /nfs/dbraw/zinc/86/69/56/385866956.db2.gz ZQOGQDCEVHRGHH-VHSXEESVSA-N 0 3 216.325 0.460 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1cnccc1CO ZINC000272115265 385876386 /nfs/dbraw/zinc/87/63/86/385876386.db2.gz HWAYJTOXFYFNSY-ONEGZZNKSA-N 0 3 235.287 0.630 20 0 BCADHN CC(C)N(C)CC(=O)N1CCc2[nH]cnc2C1 ZINC000647735827 385878112 /nfs/dbraw/zinc/87/81/12/385878112.db2.gz NTPFZZAPGJSWPC-UHFFFAOYSA-N 0 3 236.319 0.635 20 0 BCADHN CC(C)N(C)CC(=O)N1CCc2nc[nH]c2C1 ZINC000647735827 385878114 /nfs/dbraw/zinc/87/81/14/385878114.db2.gz NTPFZZAPGJSWPC-UHFFFAOYSA-N 0 3 236.319 0.635 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644841183 385878153 /nfs/dbraw/zinc/87/81/53/385878153.db2.gz OARTUIMHWUOHRR-YPMHNXCESA-N 0 3 234.347 0.864 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)O)C1=CCN(C)CC1 ZINC000272735993 385928358 /nfs/dbraw/zinc/92/83/58/385928358.db2.gz CGYHXPCDSWTGHY-BDAKNGLRSA-N 0 3 212.293 0.134 20 0 BCADHN CCCCCNCc1cn(CC(=O)OC)nn1 ZINC000294687849 385882802 /nfs/dbraw/zinc/88/28/02/385882802.db2.gz FOXWBCLYNJALDB-UHFFFAOYSA-N 0 3 240.307 0.731 20 0 BCADHN CN1C[C@H]2CCN(Cc3csnn3)[C@H]2C1 ZINC000644841838 385882827 /nfs/dbraw/zinc/88/28/27/385882827.db2.gz SHQKFFNZFRXESB-SCZZXKLOSA-N 0 3 224.333 0.674 20 0 BCADHN Cc1nc(C)c(CNC[C@]2(O)CCOC2)o1 ZINC000647925978 385978749 /nfs/dbraw/zinc/97/87/49/385978749.db2.gz KTQKICWPBIOHSY-LLVKDONJSA-N 0 3 226.276 0.532 20 0 BCADHN CC(C)(C)OCCN1CCCN(C(N)=O)CC1 ZINC000111687627 385979375 /nfs/dbraw/zinc/97/93/75/385979375.db2.gz FTCFFGNYWZTTTG-UHFFFAOYSA-N 0 3 243.351 0.888 20 0 BCADHN Cc1nc(C)c(CNC(=O)[C@H](C)N)s1 ZINC000083904938 385979413 /nfs/dbraw/zinc/97/94/13/385979413.db2.gz FWQZRTQQHWSNMT-YFKPBYRVSA-N 0 3 213.306 0.723 20 0 BCADHN CC[C@@H](C)CN(C)CC(=O)NCC(=O)OC ZINC000111692140 385980813 /nfs/dbraw/zinc/98/08/13/385980813.db2.gz XJECZRMJANZFGQ-SECBINFHSA-N 0 3 230.308 0.254 20 0 BCADHN CO[C@H](CN[C@@H](C(N)=O)C(C)(C)C)C1CC1 ZINC000425412803 385982496 /nfs/dbraw/zinc/98/24/96/385982496.db2.gz FZKFHWAWWKZVLK-ZJUUUORDSA-N 0 3 228.336 0.901 20 0 BCADHN C[C@@H](N[C@@H]1CCO[C@H]1C)C1(S(C)(=O)=O)CC1 ZINC000336748368 385986314 /nfs/dbraw/zinc/98/63/14/385986314.db2.gz SREVUZZUHLWTEY-IVZWLZJFSA-N 0 3 247.360 0.719 20 0 BCADHN C[C@H](N[C@@H]1CCO[C@H]1C)C1(S(C)(=O)=O)CC1 ZINC000336748369 385986429 /nfs/dbraw/zinc/98/64/29/385986429.db2.gz SREVUZZUHLWTEY-LPEHRKFASA-N 0 3 247.360 0.719 20 0 BCADHN CN(CCn1cccn1)CC(C)(C)CO ZINC000295193088 385987029 /nfs/dbraw/zinc/98/70/29/385987029.db2.gz JQXGAFNXXCNEOA-UHFFFAOYSA-N 0 3 211.309 0.833 20 0 BCADHN CN(C(=O)CN1CCNC[C@@H]1C(F)F)C1CC1 ZINC000647967266 385988264 /nfs/dbraw/zinc/98/82/64/385988264.db2.gz JZFUWTWNJDVUGI-SECBINFHSA-N 0 3 247.289 0.146 20 0 BCADHN CO[C@@H](C)CN(C)C(=O)NCCN(C)C1CC1 ZINC000345083091 385989807 /nfs/dbraw/zinc/98/98/07/385989807.db2.gz UJPYBKRGNAKRSW-JTQLQIEISA-N 0 3 243.351 0.757 20 0 BCADHN C[C@H](O)CCN1CCN(CC[C@H](C)O)[C@H](C)C1 ZINC000425416539 385991606 /nfs/dbraw/zinc/99/16/06/385991606.db2.gz LKRISOJDCSOGSL-AGIUHOORSA-N 0 3 244.379 0.534 20 0 BCADHN C[C@@H](O)CN(CCO)CCc1cccnc1 ZINC000289884479 385931409 /nfs/dbraw/zinc/93/14/09/385931409.db2.gz RNXVTIQHTGFXNR-LLVKDONJSA-N 0 3 224.304 0.299 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CCN2CCC1CC2 ZINC000335038812 385931582 /nfs/dbraw/zinc/93/15/82/385931582.db2.gz SWINGLAZYRUYCN-LBPRGKRZSA-N 0 3 239.363 0.666 20 0 BCADHN C[C@H](O)CN(CCO)CCc1cccnc1 ZINC000289884480 385932446 /nfs/dbraw/zinc/93/24/46/385932446.db2.gz RNXVTIQHTGFXNR-NSHDSACASA-N 0 3 224.304 0.299 20 0 BCADHN CN1CC[C@@H](N2CCC[C@@]3(CCOC3)C2)C1=O ZINC000335041584 385933133 /nfs/dbraw/zinc/93/31/33/385933133.db2.gz VLPRMWJWAVXVJE-DGCLKSJQSA-N 0 3 238.331 0.720 20 0 BCADHN CN1CC[C@@H](N2CCC[C@]3(CCOC3)C2)C1=O ZINC000335041586 385933959 /nfs/dbraw/zinc/93/39/59/385933959.db2.gz VLPRMWJWAVXVJE-YPMHNXCESA-N 0 3 238.331 0.720 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N1CCC[C@@H]1C ZINC000072875485 385940080 /nfs/dbraw/zinc/94/00/80/385940080.db2.gz HFVWZDUSYYZMSE-IUCAKERBSA-N 0 3 228.292 0.148 20 0 BCADHN Cc1nc(CN2CCNC[C@](C)(F)C2)no1 ZINC000647981978 385941939 /nfs/dbraw/zinc/94/19/39/385941939.db2.gz JTKAXZLYXLXHKM-JTQLQIEISA-N 0 3 228.271 0.511 20 0 BCADHN Cc1cc(C(=O)NC[C@@H](C)N(C)C)nn1C ZINC000340209906 385944528 /nfs/dbraw/zinc/94/45/28/385944528.db2.gz XSPOFDIWPUIQLU-SECBINFHSA-N 0 3 224.308 0.408 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@@]3(C)CCOC3)C[C@@H]21 ZINC000452973107 385948487 /nfs/dbraw/zinc/94/84/87/385948487.db2.gz JOFVJUIPAFQMPN-MDZLAQPJSA-N 0 3 238.331 0.576 20 0 BCADHN COC[C@@H](CC(C)C)NC1(C(N)=O)CC1 ZINC000336768496 385956374 /nfs/dbraw/zinc/95/63/74/385956374.db2.gz UIKWEGKMEUAXPV-SECBINFHSA-N 0 3 214.309 0.655 20 0 BCADHN COC[C@H](CC(C)C)NC1(C(N)=O)CC1 ZINC000336768497 385958039 /nfs/dbraw/zinc/95/80/39/385958039.db2.gz UIKWEGKMEUAXPV-VIFPVBQESA-N 0 3 214.309 0.655 20 0 BCADHN CCCn1cc(C(=O)NC[C@H](C)N(C)C)cn1 ZINC000272988564 385958757 /nfs/dbraw/zinc/95/87/57/385958757.db2.gz SJIRJDGRGBPRSC-JTQLQIEISA-N 0 3 238.335 0.973 20 0 BCADHN COC[C@@H](O)CN[C@@H](CO)c1ccc(F)cc1 ZINC000273131693 385972357 /nfs/dbraw/zinc/97/23/57/385972357.db2.gz RQRHEHWKDQCFRX-RYUDHWBXSA-N 0 3 243.278 0.456 20 0 BCADHN C[C@@H]1C[C@H]1CNCc1cc(C(N)=O)no1 ZINC000336747322 385973159 /nfs/dbraw/zinc/97/31/59/385973159.db2.gz CIMKFKXUWFSKPS-RQJHMYQMSA-N 0 3 209.249 0.519 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](O)C(C)C)N(C)C ZINC000305188001 385973303 /nfs/dbraw/zinc/97/33/03/385973303.db2.gz UMVXJLKQEUFFQR-VHSXEESVSA-N 0 3 216.325 0.460 20 0 BCADHN CO[C@H]1CN(CCOCCO)CC[C@H]1C ZINC000189279386 385973463 /nfs/dbraw/zinc/97/34/63/385973463.db2.gz QMEGSCBUIYFSHW-MNOVXSKESA-N 0 3 217.309 0.352 20 0 BCADHN Cc1cncc(CN2C[C@@H](C)[C@H](C(N)=O)C2)c1 ZINC000286096173 385997532 /nfs/dbraw/zinc/99/75/32/385997532.db2.gz IABAXLSWRPQXMB-ZYHUDNBSSA-N 0 3 233.315 0.943 20 0 BCADHN COC[C@@H](C)CNC(=O)C1CCN(C)CC1 ZINC000345117934 386001451 /nfs/dbraw/zinc/00/14/51/386001451.db2.gz XICQWFSNQNJOJS-JTQLQIEISA-N 0 3 228.336 0.727 20 0 BCADHN C[S@](=O)CCCNCc1ccncc1 ZINC000124224026 386002899 /nfs/dbraw/zinc/00/28/99/386002899.db2.gz HRGKQKDROUPWLH-CQSZACIVSA-N 0 3 212.318 0.940 20 0 BCADHN C[C@H](NC[C@@]1(O)CCN(C)C1)c1nccs1 ZINC000336750387 386003629 /nfs/dbraw/zinc/00/36/29/386003629.db2.gz UUJLVSOLAXPFKC-ONGXEEELSA-N 0 3 241.360 0.860 20 0 BCADHN COCCCN1CC[C@H](C)C[C@H]1C(N)=O ZINC000187424501 386056068 /nfs/dbraw/zinc/05/60/68/386056068.db2.gz KOKIDYMIEFJEDL-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN Cc1cnn(C)c1CN[C@@H](C)C[C@H](C)O ZINC000336750990 386006861 /nfs/dbraw/zinc/00/68/61/386006861.db2.gz GDRUBPPAZUEMOQ-UWVGGRQHSA-N 0 3 211.309 0.978 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCCO1)N(C)C1CC1 ZINC000068220302 386008181 /nfs/dbraw/zinc/00/81/81/386008181.db2.gz POEBSAWHFKIGPY-KOLCDFICSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](O)CCN[C@@H](C(N)=O)C(C)(C)C ZINC000425416214 386008512 /nfs/dbraw/zinc/00/85/12/386008512.db2.gz KTFCJKLIXXUGAY-YUMQZZPRSA-N 0 3 202.298 0.247 20 0 BCADHN C[C@@H](N)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000336751706 386010293 /nfs/dbraw/zinc/01/02/93/386010293.db2.gz GQMWZMNAEYFJEK-HTQZYQBOSA-N 0 3 202.298 0.247 20 0 BCADHN CN(CCc1ccnn1C)CC(C)(C)CO ZINC000295322979 386010383 /nfs/dbraw/zinc/01/03/83/386010383.db2.gz WMSPUSZGKPOIFE-UHFFFAOYSA-N 0 3 225.336 0.913 20 0 BCADHN CCN(CC)CCNC(=O)C1(C(C)=O)CC1 ZINC000338444300 386011909 /nfs/dbraw/zinc/01/19/09/386011909.db2.gz HNDIDSYJZAWMBM-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN CN1CCc2ccc(NC(=O)[C@H]3CCN3)cc21 ZINC000335069235 386014460 /nfs/dbraw/zinc/01/44/60/386014460.db2.gz OYZRKWQVHNKFDA-LLVKDONJSA-N 0 3 231.299 0.979 20 0 BCADHN O=C1CC[C@H](NCc2cncnc2)C2(CCC2)N1 ZINC000338476983 386014561 /nfs/dbraw/zinc/01/45/61/386014561.db2.gz HXLHYQRUBQAFDJ-NSHDSACASA-N 0 3 246.314 0.768 20 0 BCADHN COC[C@@H](O)CNCc1ccccc1N(C)C ZINC000338476905 386014700 /nfs/dbraw/zinc/01/47/00/386014700.db2.gz KGVVTJKNUCBPCV-LBPRGKRZSA-N 0 3 238.331 0.850 20 0 BCADHN CCOCCN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000336752305 386015525 /nfs/dbraw/zinc/01/55/25/386015525.db2.gz GDDZVKUWZDYCSQ-QMMMGPOBSA-N 0 3 211.265 0.869 20 0 BCADHN CCOC[C@H](NCC(=O)N1CCC1)C(C)C ZINC000336772048 386056495 /nfs/dbraw/zinc/05/64/95/386056495.db2.gz VBHJTSSTVGFJBM-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)[C@@H]1CNCCC1(F)F ZINC000309544834 386018573 /nfs/dbraw/zinc/01/85/73/386018573.db2.gz ZJNQZTFDQOXQCK-GJMOJQLCSA-N 0 3 218.247 0.756 20 0 BCADHN Cc1nnsc1CNCCCn1ccnn1 ZINC000309725255 386022382 /nfs/dbraw/zinc/02/23/82/386022382.db2.gz CXTCGEFQZQBTAS-UHFFFAOYSA-N 0 3 238.320 0.618 20 0 BCADHN COC[C@](C)(CCO)NCCOCC(F)F ZINC000189537251 386022325 /nfs/dbraw/zinc/02/23/25/386022325.db2.gz LEONIPSFFLLTOI-JTQLQIEISA-N 0 3 241.278 0.645 20 0 BCADHN CO[C@H](C)CN(C)C(=O)NC[C@H]1CCCN1C ZINC000345119513 386023616 /nfs/dbraw/zinc/02/36/16/386023616.db2.gz RTMWAPGXFHRHTD-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN Cc1cc(C)n(CCN(C)CCC(N)=O)n1 ZINC000286307471 386023918 /nfs/dbraw/zinc/02/39/18/386023918.db2.gz DRJAIOORLGQRAB-UHFFFAOYSA-N 0 3 224.308 0.307 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC[C@@](C)(O)C1 ZINC000124324350 386026484 /nfs/dbraw/zinc/02/64/84/386026484.db2.gz FLXGTGGYBANSSF-MWLCHTKSSA-N 0 3 214.309 0.310 20 0 BCADHN CCOC[C@@H](C)N[C@@H](C)C(=O)NCCF ZINC000336771085 386026598 /nfs/dbraw/zinc/02/65/98/386026598.db2.gz WILKSFVPGMGSBE-BDAKNGLRSA-N 0 3 220.288 0.475 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000414186785 386027772 /nfs/dbraw/zinc/02/77/72/386027772.db2.gz PTPALPUDQUDDHO-XYJRDEOASA-N 0 3 240.347 0.473 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)[C@H]1CCCOC1 ZINC000335062023 386029328 /nfs/dbraw/zinc/02/93/28/386029328.db2.gz IIXBSVLQHUZAJB-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](N[C@@H]1CCN(C(C)(C)C)C1=O)[C@H](C)CO ZINC000425430243 386031187 /nfs/dbraw/zinc/03/11/87/386031187.db2.gz DVEPZKBDCIWXNU-GMTAPVOTSA-N 0 3 242.363 0.992 20 0 BCADHN C[C@@H](O)CN1CCN(CC[C@H](C)O)[C@@H](C)C1 ZINC000425430694 386033828 /nfs/dbraw/zinc/03/38/28/386033828.db2.gz FZAOQHIHBGZRDM-SDDRHHMPSA-N 0 3 230.352 0.144 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1cccc(=O)[nH]1 ZINC000234239632 386034006 /nfs/dbraw/zinc/03/40/06/386034006.db2.gz CHKBXJRAEXAKTQ-JTQLQIEISA-N 0 3 249.314 0.541 20 0 BCADHN CO[C@H](CN[C@H](CO)c1cnn(C)c1)C1CC1 ZINC000425430379 386034687 /nfs/dbraw/zinc/03/46/87/386034687.db2.gz FEBTVJJTYIFKPY-VXGBXAGGSA-N 0 3 239.319 0.468 20 0 BCADHN CCC1(CN[C@H](C)CS(C)(=O)=O)COC1 ZINC000336771458 386039461 /nfs/dbraw/zinc/03/94/61/386039461.db2.gz WTRFBRMRKOTUPI-SECBINFHSA-N 0 3 235.349 0.436 20 0 BCADHN CO[C@H](CN1CCN2C(=O)CC[C@@H]2C1)C1CC1 ZINC000425420888 386040204 /nfs/dbraw/zinc/04/02/04/386040204.db2.gz MZHHGUWDCDMHBC-VXGBXAGGSA-N 0 3 238.331 0.718 20 0 BCADHN COC[C@@H](NC[C@@H]1CN(C)C(=O)O1)C1CC1 ZINC000393910412 386040942 /nfs/dbraw/zinc/04/09/42/386040942.db2.gz SFZOQHPSPDZCTP-NXEZZACHSA-N 0 3 228.292 0.452 20 0 BCADHN COC(=O)C(C)(C)CCN1CC[C@@H](O)C1 ZINC000338548008 386041706 /nfs/dbraw/zinc/04/17/06/386041706.db2.gz QNYBPHZPWNDZQH-SECBINFHSA-N 0 3 215.293 0.642 20 0 BCADHN C[C@@H]1CN(Cc2cnn(C)c2)[C@H](C)CN1C ZINC000334437154 386042471 /nfs/dbraw/zinc/04/24/71/386042471.db2.gz QWQXEPUOWNZXRQ-GHMZBOCLSA-N 0 3 222.336 0.945 20 0 BCADHN CO[C@H](CN1CCSC[C@@H]1CO)C1CC1 ZINC000425423127 386044432 /nfs/dbraw/zinc/04/44/32/386044432.db2.gz QBTDVRPFDROXQX-WDEREUQCSA-N 0 3 231.361 0.821 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCCN1C ZINC000338410908 385995456 /nfs/dbraw/zinc/99/54/56/385995456.db2.gz WOQCILZEOUVKMA-VHSXEESVSA-N 0 3 249.314 1.000 20 0 BCADHN CSC[C@H](CCO)NCc1cncn1C ZINC000124150255 385995852 /nfs/dbraw/zinc/99/58/52/385995852.db2.gz XJUNTWDSAKEORP-VIFPVBQESA-N 0 3 229.349 0.624 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCCN1C ZINC000338410907 385996244 /nfs/dbraw/zinc/99/62/44/385996244.db2.gz WOQCILZEOUVKMA-UWVGGRQHSA-N 0 3 249.314 1.000 20 0 BCADHN CCN(C)CCNC(=O)NC[C@H]1C[C@@H]1C ZINC000338413605 385996299 /nfs/dbraw/zinc/99/62/99/385996299.db2.gz QCAVPIXSIWTYKN-VHSXEESVSA-N 0 3 213.325 0.893 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccncn1 ZINC000415536862 386101112 /nfs/dbraw/zinc/10/11/12/386101112.db2.gz YPULPIBRDCLVRA-DTWKUNHWSA-N 0 3 235.291 0.691 20 0 BCADHN COC[C@H](CO)NCc1cccc(OC)c1 ZINC000234795443 386101883 /nfs/dbraw/zinc/10/18/83/386101883.db2.gz UYZLPWBUAKFKGN-NSHDSACASA-N 0 3 225.288 0.792 20 0 BCADHN C[C@@H]1CN(C(=O)Nc2cnns2)[C@@H](C)CN1 ZINC000415549581 386102371 /nfs/dbraw/zinc/10/23/71/386102371.db2.gz TUCONZOCKHOMEW-RQJHMYQMSA-N 0 3 241.320 0.752 20 0 BCADHN CC(=O)c1cc(C(=O)N[C@H](C)CN)n(C)c1 ZINC000274438837 386104563 /nfs/dbraw/zinc/10/45/63/386104563.db2.gz PPHLAHVRHZUNKP-SSDOTTSWSA-N 0 3 223.276 0.305 20 0 BCADHN C[C@H](CN1CCCCC1)NC(=O)N(C)CCO ZINC000129809616 386104682 /nfs/dbraw/zinc/10/46/82/386104682.db2.gz GEDITQCRRKOSOW-LLVKDONJSA-N 0 3 243.351 0.495 20 0 BCADHN Cc1[nH]c(C=O)cc1C(=O)N[C@@H](C)CN(C)C ZINC000287229195 386104760 /nfs/dbraw/zinc/10/47/60/386104760.db2.gz PERSGDFGSWMCOY-QMMMGPOBSA-N 0 3 237.303 0.816 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cnsn1 ZINC000287227011 386104942 /nfs/dbraw/zinc/10/49/42/386104942.db2.gz PAKQXOUSOQFFTN-LURJTMIESA-N 0 3 214.294 0.218 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C1=COCCC1 ZINC000287242223 386106690 /nfs/dbraw/zinc/10/66/90/386106690.db2.gz QDWSUYAKMSXJCM-VIFPVBQESA-N 0 3 212.293 0.747 20 0 BCADHN C[C@@H]1CN(C(=O)NC[C@H]2CCCN2C)CCO1 ZINC000334455499 386106763 /nfs/dbraw/zinc/10/67/63/386106763.db2.gz WGHTZFCHYLEXEU-GHMZBOCLSA-N 0 3 241.335 0.511 20 0 BCADHN COc1cc(C(=O)N[C@@H](C)CN(C)C)nn1C ZINC000287250066 386107002 /nfs/dbraw/zinc/10/70/02/386107002.db2.gz QWKNUUGQXGGBEL-QMMMGPOBSA-N 0 3 240.307 0.109 20 0 BCADHN Cn1cncc1CNC[C@]1(C)CCOC1 ZINC000336729253 386108360 /nfs/dbraw/zinc/10/83/60/386108360.db2.gz IWCZVDVDNBLJQZ-NSHDSACASA-N 0 3 209.293 0.936 20 0 BCADHN COCc1cc(C(=O)N[C@@H](C)CN(C)C)no1 ZINC000287274467 386108582 /nfs/dbraw/zinc/10/85/82/386108582.db2.gz 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ZINC000645300724 386074454 /nfs/dbraw/zinc/07/44/54/386074454.db2.gz OGWJZNCKHDUZMT-JTQLQIEISA-N 0 3 236.319 0.377 20 0 BCADHN CO[C@H](CN1CC[C@](F)(CO)C1)C1CC1 ZINC000425444150 386074878 /nfs/dbraw/zinc/07/48/78/386074878.db2.gz NAHAITWCWSQVIP-GHMZBOCLSA-N 0 3 217.284 0.818 20 0 BCADHN CO[C@@H](CN1CC[C@](F)(CO)C1)C1CC1 ZINC000425444156 386075130 /nfs/dbraw/zinc/07/51/30/386075130.db2.gz NAHAITWCWSQVIP-WDEREUQCSA-N 0 3 217.284 0.818 20 0 BCADHN CO[C@H](CN1CC[C@@](F)(CO)C1)C1CC1 ZINC000425444152 386076026 /nfs/dbraw/zinc/07/60/26/386076026.db2.gz NAHAITWCWSQVIP-MNOVXSKESA-N 0 3 217.284 0.818 20 0 BCADHN CO[C@@H](CN1CC[C@@](F)(CO)C1)C1CC1 ZINC000425444154 386076508 /nfs/dbraw/zinc/07/65/08/386076508.db2.gz NAHAITWCWSQVIP-QWRGUYRKSA-N 0 3 217.284 0.818 20 0 BCADHN CN(C)[C@@H]1CCCN(CC(=O)NC2CC2)C1 ZINC000068554694 386078128 /nfs/dbraw/zinc/07/81/28/386078128.db2.gz YKSJPDWQNNRDIE-LLVKDONJSA-N 0 3 225.336 0.291 20 0 BCADHN C[C@H](O)CCN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000425447820 386078340 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216.325 0.868 20 0 BCADHN C[C@H](CN(C)C)NC(=O)CC[C@H]1CCOC1 ZINC000346165847 386170342 /nfs/dbraw/zinc/17/03/42/386170342.db2.gz RHYLDWLUGIVWFW-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN COC1(CCN2CCC[C@H]2C(N)=O)CCC1 ZINC000338899202 386171131 /nfs/dbraw/zinc/17/11/31/386171131.db2.gz GDXVKPUUFNLHEV-JTQLQIEISA-N 0 3 226.320 0.895 20 0 BCADHN CCO[C@@H](C)C(=O)N[C@H](C)CN(C)C ZINC000346160980 386172082 /nfs/dbraw/zinc/17/20/82/386172082.db2.gz FHXXBELARQRVRK-BDAKNGLRSA-N 0 3 202.298 0.478 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)CCCCO ZINC000452501249 386172772 /nfs/dbraw/zinc/17/27/72/386172772.db2.gz DLONTYHFGLULEL-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN CCOC[C@H](O)CN1C[C@@H](C)N(CC)C[C@@H]1C ZINC000346168489 386173558 /nfs/dbraw/zinc/17/35/58/386173558.db2.gz PXMKWVWDVYADOK-FRRDWIJNSA-N 0 3 244.379 0.798 20 0 BCADHN CO[C@@H](C(=O)N[C@@H](C)CN(C)C)C1CC1 ZINC000346167615 386173856 /nfs/dbraw/zinc/17/38/56/386173856.db2.gz GFYQPTUGCUUKJT-WCBMZHEXSA-N 0 3 214.309 0.478 20 0 BCADHN 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CCN(C)CCNC(=O)NCc1c[nH]nc1C ZINC000263853499 386183382 /nfs/dbraw/zinc/18/33/82/386183382.db2.gz RUYUJZCUNWVRTJ-UHFFFAOYSA-N 0 3 239.323 0.469 20 0 BCADHN CCC[C@@H]1C(=O)NCCN1C[C@H]1CCOC1 ZINC000346198609 386185058 /nfs/dbraw/zinc/18/50/58/386185058.db2.gz UYWPFHAYYGVWQS-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CNC(=O)CCN1CCC[C@H](n2ccnn2)C1 ZINC000425503268 386185502 /nfs/dbraw/zinc/18/55/02/386185502.db2.gz RTNFLDKYZQLYAY-JTQLQIEISA-N 0 3 237.307 0.051 20 0 BCADHN C[C@@H](O)CCN1CCC[C@@H](n2ccnn2)C1 ZINC000425502677 386186597 /nfs/dbraw/zinc/18/65/97/386186597.db2.gz HSIIFUJDURWEAP-GHMZBOCLSA-N 0 3 224.308 0.686 20 0 BCADHN C[C@@H](CNC(=O)CCc1ncc[nH]1)N(C)C ZINC000287468624 386126167 /nfs/dbraw/zinc/12/61/67/386126167.db2.gz YDJQRUNZGPELPY-VIFPVBQESA-N 0 3 224.308 0.409 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCOC[C@H]1C)N(C)C ZINC000345849290 386126748 /nfs/dbraw/zinc/12/67/48/386126748.db2.gz QEXGJZOGQFTXDS-OUAUKWLOSA-N 0 3 228.336 0.725 20 0 BCADHN CCC(C)(C)NC(=O)NC[C@H]1CNCCO1 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/nfs/dbraw/zinc/20/75/93/386207593.db2.gz PGLBLDUCLUECEZ-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@@H](C(=O)N[C@@H](C)C(N)=O)[C@@H](N)c1ccccc1 ZINC000131670577 386213968 /nfs/dbraw/zinc/21/39/68/386213968.db2.gz ZSLAOFAOVMTPTG-WCABBAIRSA-N 0 3 249.314 0.313 20 0 BCADHN C[C@@H](O)C[C@H]1CCCN1Cc1cn[nH]n1 ZINC000340289284 386216647 /nfs/dbraw/zinc/21/66/47/386216647.db2.gz FEIVDDAQNMICFY-PSASIEDQSA-N 0 3 210.281 0.540 20 0 BCADHN C[C@@H](O)C[C@H]1CCCN1Cc1c[nH]nn1 ZINC000340289284 386216654 /nfs/dbraw/zinc/21/66/54/386216654.db2.gz FEIVDDAQNMICFY-PSASIEDQSA-N 0 3 210.281 0.540 20 0 BCADHN CC[C@H]1CN(Cc2c(C)cnn2C)C[C@H]1O ZINC000289079585 386259948 /nfs/dbraw/zinc/25/99/48/386259948.db2.gz DBPGKGQEDVLHNQ-CMPLNLGQSA-N 0 3 223.320 0.931 20 0 BCADHN CO[C@H]1CCCN(CCc2cn[nH]n2)C1 ZINC000647969670 386219912 /nfs/dbraw/zinc/21/99/12/386219912.db2.gz KFHJBWKCEMIJHL-JTQLQIEISA-N 0 3 210.281 0.458 20 0 BCADHN COC[C@H](C)NCc1cnc2cnccn12 ZINC000125118904 386224585 /nfs/dbraw/zinc/22/45/85/386224585.db2.gz AWOXGCCIBIPNML-VIFPVBQESA-N 0 3 220.276 0.854 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)N1CCCN(C)CC1 ZINC000347036570 386225910 /nfs/dbraw/zinc/22/59/10/386225910.db2.gz QYRQZNXALWHIEO-NEPJUHHUSA-N 0 3 241.379 0.927 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCc1ncc[nH]1 ZINC000125143881 386229877 /nfs/dbraw/zinc/22/98/77/386229877.db2.gz CBWQXAMJWKUWNJ-SECBINFHSA-N 0 3 210.281 0.052 20 0 BCADHN CC[C@H](O)CN1CCC(O)(COC)CC1 ZINC000339058964 386230415 /nfs/dbraw/zinc/23/04/15/386230415.db2.gz KYBXLEQIRVAZGO-JTQLQIEISA-N 0 3 217.309 0.231 20 0 BCADHN CCOC[C@@H](O)CNCc1cncs1 ZINC000157477736 386231578 /nfs/dbraw/zinc/23/15/78/386231578.db2.gz BTKBCKQDTZTGCU-QMMMGPOBSA-N 0 3 216.306 0.630 20 0 BCADHN CCc1n[nH]cc1C(=O)NC[C@@H]1CCCN1C ZINC000264385434 386232588 /nfs/dbraw/zinc/23/25/88/386232588.db2.gz HAHUNPQWYMNGFS-VIFPVBQESA-N 0 3 236.319 0.796 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCCN(CC2CC2)C1 ZINC000366250167 386232762 /nfs/dbraw/zinc/23/27/62/386232762.db2.gz 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20 0 BCADHN COC[C@H](C)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000365637082 386243704 /nfs/dbraw/zinc/24/37/04/386243704.db2.gz PAUQVWKJUKSNSX-WDEREUQCSA-N 0 3 241.335 0.511 20 0 BCADHN CN(Cc1cnccn1)C[C@@H]1CCOC1 ZINC000336644020 386244875 /nfs/dbraw/zinc/24/48/75/386244875.db2.gz FHQBUGRTJOUOER-JTQLQIEISA-N 0 3 207.277 0.945 20 0 BCADHN CN(C)C1(CNC(=O)c2cnccn2)CCC1 ZINC000275864961 386245793 /nfs/dbraw/zinc/24/57/93/386245793.db2.gz JLADJXAEIAACIW-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN Cc1cnn(C)c1CN1CCC[C@H](CO)C1 ZINC000288977936 386247733 /nfs/dbraw/zinc/24/77/33/386247733.db2.gz CFTODFDBBOYDCO-NSHDSACASA-N 0 3 223.320 0.933 20 0 BCADHN Cn1cc(CN(CCO)CC2CC2)cn1 ZINC000336645588 386252782 /nfs/dbraw/zinc/25/27/82/386252782.db2.gz IGQUWUXZAJZUJH-UHFFFAOYSA-N 0 3 209.293 0.624 20 0 BCADHN C[C@H](NC(=O)CN(C)C)C1=CCN(C)CC1 ZINC000275956675 386254250 /nfs/dbraw/zinc/25/42/50/386254250.db2.gz HQBGZVYEXYARSY-JTQLQIEISA-N 0 3 225.336 0.315 20 0 BCADHN CN(C)CCNC(=O)c1ocnc1C1CC1 ZINC000289041649 386254401 /nfs/dbraw/zinc/25/44/01/386254401.db2.gz HTLMKGRDHLFWGQ-UHFFFAOYSA-N 0 3 223.276 0.843 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000190574308 386256735 /nfs/dbraw/zinc/25/67/35/386256735.db2.gz UTNLAWYOSYLEPT-ZJUUUORDSA-N 0 3 228.336 0.602 20 0 BCADHN CCC[C@@H](O)CNC(=O)C[C@H]1CSCCN1 ZINC000132916931 386258576 /nfs/dbraw/zinc/25/85/76/386258576.db2.gz AQIXEYOTNMFQOE-VHSXEESVSA-N 0 3 246.376 0.359 20 0 BCADHN CN(CCOC1CCC1)[C@H]1COC[C@@H]1O ZINC000347140493 386258632 /nfs/dbraw/zinc/25/86/32/386258632.db2.gz USAMCRXTCNGDQA-QWRGUYRKSA-N 0 3 215.293 0.247 20 0 BCADHN COC(=O)C1(CNCc2ccc(CO)o2)CC1 ZINC000275225761 386193917 /nfs/dbraw/zinc/19/39/17/386193917.db2.gz DGIWIXRJTPDPCV-UHFFFAOYSA-N 0 3 239.271 0.815 20 0 BCADHN CC[S@@](=O)CC(=O)N[C@@H](C)CCN(C)C ZINC000346339827 386194641 /nfs/dbraw/zinc/19/46/41/386194641.db2.gz QKQODYNBVFBGTM-BJOHPYRUSA-N 0 3 234.365 0.211 20 0 BCADHN C[C@H](O)CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000338981224 386195600 /nfs/dbraw/zinc/19/56/00/386195600.db2.gz GEXXPLQYMXHSBD-BIIVOSGPSA-N 0 3 227.226 0.755 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCc1ccccc1 ZINC000575576982 386195687 /nfs/dbraw/zinc/19/56/87/386195687.db2.gz NRLRQKQKNHRQJZ-MNOVXSKESA-N 0 3 220.272 0.419 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000275290772 386198467 /nfs/dbraw/zinc/19/84/67/386198467.db2.gz VESSEFPCTHEBBN-FQNVXPIYSA-N 0 3 226.320 0.380 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H](C)C1CCOCC1 ZINC000225524439 386200305 /nfs/dbraw/zinc/20/03/05/386200305.db2.gz QXEYZDRRWVLNHH-GXSJLCMTSA-N 0 3 228.336 0.901 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H](C(=O)OC)[C@H]1C ZINC000347200566 386282764 /nfs/dbraw/zinc/28/27/64/386282764.db2.gz JTGOCXHHSRBXQX-HRDYMLBCSA-N 0 3 228.292 0.134 20 0 BCADHN C[C@]1(F)CNCCN(c2ncccn2)C1 ZINC000416380748 386282982 /nfs/dbraw/zinc/28/29/82/386282982.db2.gz BJBCMPVXXGNXOC-JTQLQIEISA-N 0 3 210.256 0.614 20 0 BCADHN CCN(C)C(=O)CN1CCN(CC(C)C)CC1 ZINC000339191563 386285270 /nfs/dbraw/zinc/28/52/70/386285270.db2.gz URZQHLUIOSQZRS-UHFFFAOYSA-N 0 3 241.379 0.738 20 0 BCADHN CC(C)(C)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343207566 386287864 /nfs/dbraw/zinc/28/78/64/386287864.db2.gz ZENQHMDOOASTHN-NSHDSACASA-N 0 3 239.363 0.539 20 0 BCADHN C[C@@H](O)CN1CCC[C@@H](n2ccnn2)C1 ZINC000425515180 386291012 /nfs/dbraw/zinc/29/10/12/386291012.db2.gz QOLMKSMRCRPROA-NXEZZACHSA-N 0 3 210.281 0.296 20 0 BCADHN CCN(CCCO)[C@@H]1CCN(C2CC2)C1=O ZINC000336665434 386290963 /nfs/dbraw/zinc/29/09/63/386290963.db2.gz FTHAIEVKOWLDGO-LLVKDONJSA-N 0 3 226.320 0.454 20 0 BCADHN Cc1cncc(CN(C[C@H](C)O)[C@H](C)CO)c1 ZINC000276238602 386291040 /nfs/dbraw/zinc/29/10/40/386291040.db2.gz UKWYGSHWVGWVLA-NEPJUHHUSA-N 0 3 238.331 0.954 20 0 BCADHN CCOCCN1CCSC[C@H]1CO ZINC000336665624 386291229 /nfs/dbraw/zinc/29/12/29/386291229.db2.gz YCQYRPMVCUDBPW-SECBINFHSA-N 0 3 205.323 0.433 20 0 BCADHN C[C@H]1CNCCN1C(=O)c1ccc2c(c1)CNC2 ZINC000335263413 386291566 /nfs/dbraw/zinc/29/15/66/386291566.db2.gz HTTZAHPCMUCLOR-JTQLQIEISA-N 0 3 245.326 0.724 20 0 BCADHN c1cncc(-c2noc(C[C@H]3CNCCO3)n2)c1 ZINC000091294799 386292407 /nfs/dbraw/zinc/29/24/07/386292407.db2.gz CLGMGYJJRHBHBW-JTQLQIEISA-N 0 3 246.270 0.663 20 0 BCADHN CCN(CCNS(C)(=O)=O)CC(C)(C)C ZINC000336666574 386293352 /nfs/dbraw/zinc/29/33/52/386293352.db2.gz DNXLVVTXXOVJOT-UHFFFAOYSA-N 0 3 236.381 0.904 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@H](CO)C1)N(CC)CC ZINC000340313709 386293929 /nfs/dbraw/zinc/29/39/29/386293929.db2.gz MPEAQDFJUUQSDX-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CO[C@H](C)CN[C@@H](Cc1ccccc1)C(N)=O ZINC000276271511 386294075 /nfs/dbraw/zinc/29/40/75/386294075.db2.gz ZKEWLNUQARRVKC-PWSUYJOCSA-N 0 3 236.315 0.708 20 0 BCADHN CC(C)N(C)CC(=O)N1CCCOC1 ZINC000334480485 386295892 /nfs/dbraw/zinc/29/58/92/386295892.db2.gz UELPTFCLRPNKFY-UHFFFAOYSA-N 0 3 200.282 0.533 20 0 BCADHN C[C@@H](O)CN1CC[C@H](COC(F)F)C1 ZINC000339193363 386296426 /nfs/dbraw/zinc/29/64/26/386296426.db2.gz CXUFEJMRSSCOPE-SFYZADRCSA-N 0 3 209.236 0.928 20 0 BCADHN OC[C@@H]1CC[C@@H](CO)N1CCOCC1CC1 ZINC000347299057 386299521 /nfs/dbraw/zinc/29/95/21/386299521.db2.gz XXSCSHCDZZMTSF-RYUDHWBXSA-N 0 3 229.320 0.231 20 0 BCADHN CC(C)OCCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188205969 386300698 /nfs/dbraw/zinc/30/06/98/386300698.db2.gz XYSQIVAJORZNQE-VHSXEESVSA-N 0 3 232.299 0.618 20 0 BCADHN COC[C@H]1CCN([C@@H]2CCCCNC2=O)C1 ZINC000336672424 386303346 /nfs/dbraw/zinc/30/33/46/386303346.db2.gz KFJTYMRYYSFCKG-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN COCCCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000416431409 386305942 /nfs/dbraw/zinc/30/59/42/386305942.db2.gz BAGSUYCDGBPUQT-NXEZZACHSA-N 0 3 229.324 0.415 20 0 BCADHN Cc1cc(C(=O)NCC2(N(C)C)CCC2)cnn1 ZINC000276362692 386310643 /nfs/dbraw/zinc/31/06/43/386310643.db2.gz JEZINANPSMLHTP-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1ccc(Cl)nc1 ZINC000289471541 386311363 /nfs/dbraw/zinc/31/13/63/386311363.db2.gz DKTRFERPKBELLP-QMMMGPOBSA-N 0 3 243.694 0.325 20 0 BCADHN CC(C)[C@H](O)CN1C[C@@H]2[C@H](C1)OCCN2C ZINC000336669771 386311802 /nfs/dbraw/zinc/31/18/02/386311802.db2.gz WLGHCDLJDBRGPK-UTUOFQBUSA-N 0 3 228.336 0.018 20 0 BCADHN C[C@H](CNC(=O)c1cccn1C)N(C)C ZINC000298324632 386325186 /nfs/dbraw/zinc/32/51/86/386325186.db2.gz MFDOOGUOZMFETA-SECBINFHSA-N 0 3 209.293 0.705 20 0 BCADHN Cn1cncc1CCN1CCC[C@H](O)C1 ZINC000289486598 386314880 /nfs/dbraw/zinc/31/48/80/386314880.db2.gz CEGLNSNZYBXIIO-NSHDSACASA-N 0 3 209.293 0.419 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000347278874 386315488 /nfs/dbraw/zinc/31/54/88/386315488.db2.gz WGDJGNIVXCBQCP-VHSXEESVSA-N 0 3 244.335 0.498 20 0 BCADHN N[C@@H](CNC(=O)N1CCOCC1)c1ccccc1 ZINC000091970460 386315717 /nfs/dbraw/zinc/31/57/17/386315717.db2.gz ARODCPATYCKTMN-LBPRGKRZSA-N 0 3 249.314 0.728 20 0 BCADHN C/C=C(\CC)C(=O)NC[C@](C)(O)CN(C)C ZINC000276401632 386316475 /nfs/dbraw/zinc/31/64/75/386316475.db2.gz CKDDDRCHHRJBGY-JXPAYYINSA-N 0 3 228.336 0.772 20 0 BCADHN CSCCN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425527921 386317515 /nfs/dbraw/zinc/31/75/15/386317515.db2.gz BNYBNTIFJPWKTK-MRVPVSSYSA-N 0 3 212.322 0.957 20 0 BCADHN C[C@@H]1CN(C(=O)NC[C@@H]2CCCO2)[C@@H](C)CN1 ZINC000416441964 386318756 /nfs/dbraw/zinc/31/87/56/386318756.db2.gz WONCHSHSUXHEJV-VWYCJHECSA-N 0 3 241.335 0.557 20 0 BCADHN Cn1cccc1CNCCN1CCCOCC1 ZINC000289559940 386325393 /nfs/dbraw/zinc/32/53/93/386325393.db2.gz YLJSNDMDRSQCAN-UHFFFAOYSA-N 0 3 237.347 0.837 20 0 BCADHN CCN(CCNC(=O)CN)c1cccc(C)c1 ZINC000236857896 386319260 /nfs/dbraw/zinc/31/92/60/386319260.db2.gz IVNQREWXNJAZAF-UHFFFAOYSA-N 0 3 235.331 0.896 20 0 BCADHN CC[C@H]1C[C@@H](C)CN1CCS(=O)(=O)N(C)C ZINC000336678880 386319379 /nfs/dbraw/zinc/31/93/79/386319379.db2.gz WQDVGLUTJRMNKO-MNOVXSKESA-N 0 3 248.392 0.998 20 0 BCADHN CO[C@@H]1CN(CCn2cc(C)cn2)C[C@H]1OC ZINC000336679590 386320600 /nfs/dbraw/zinc/32/06/00/386320600.db2.gz AWKVEBBXNOTRGR-VXGBXAGGSA-N 0 3 239.319 0.537 20 0 BCADHN CC(=O)N1CCN(C[C@@H]2CCOC2)[C@@H](C)C1 ZINC000335262843 386325364 /nfs/dbraw/zinc/32/53/64/386325364.db2.gz VBYZBQIENLHJRM-JQWIXIFHSA-N 0 3 226.320 0.576 20 0 BCADHN CN(CCN1CCOCC1)CC1(O)CCC1 ZINC000336675066 386321540 /nfs/dbraw/zinc/32/15/40/386321540.db2.gz LXGUWKPTVXPTCW-UHFFFAOYSA-N 0 3 228.336 0.165 20 0 BCADHN CCN(C)CCNC(=O)c1n[nH]c(C)c1C ZINC000265258360 386321936 /nfs/dbraw/zinc/32/19/36/386321936.db2.gz DGZJXPGWGBNJCY-UHFFFAOYSA-N 0 3 224.308 0.708 20 0 BCADHN COC(=O)C1(CNCc2c(C)cnn2C)CC1 ZINC000289521523 386322337 /nfs/dbraw/zinc/32/23/37/386322337.db2.gz DRXLJZQGDBCHJN-UHFFFAOYSA-N 0 3 237.303 0.771 20 0 BCADHN O=C(Nc1cn[nH]c1)[C@H]1CNCCC1(F)F ZINC000647988808 386323076 /nfs/dbraw/zinc/32/30/76/386323076.db2.gz QTGCUDUBCRRBAT-SSDOTTSWSA-N 0 3 230.218 0.593 20 0 BCADHN COC(=O)CN(C)C(=O)C12CCCN1CCC2 ZINC000339250840 386325390 /nfs/dbraw/zinc/32/53/90/386325390.db2.gz ZPSXJGFABDLEIH-UHFFFAOYSA-N 0 3 240.303 0.246 20 0 BCADHN CC[C@H](N)C(=O)N[C@@](C)(C(N)=O)c1ccccc1 ZINC000262540293 386261465 /nfs/dbraw/zinc/26/14/65/386261465.db2.gz RJWCXJCFQJOFLT-GXFFZTMASA-N 0 3 249.314 0.241 20 0 BCADHN Cc1cc(C(=O)NCC2(N(C)C)CC2)no1 ZINC000416292982 386261914 /nfs/dbraw/zinc/26/19/14/386261914.db2.gz TVUJSSNTUFTIFW-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN CCN(CCO)CCNC(=O)NC[C@@H]1C[C@H]1C ZINC000347155363 386263071 /nfs/dbraw/zinc/26/30/71/386263071.db2.gz CSUFDPOHPUGIBE-MNOVXSKESA-N 0 3 243.351 0.256 20 0 BCADHN COC(=O)[C@H]1C[C@H]1C(=O)NCC1(N(C)C)CC1 ZINC000416299852 386264406 /nfs/dbraw/zinc/26/44/06/386264406.db2.gz HCAOXHAGSUJIPH-BDAKNGLRSA-N 0 3 240.303 0.006 20 0 BCADHN CN(C)C1(CNC(=O)[C@H]2CCCOC2)CC1 ZINC000416298243 386264537 /nfs/dbraw/zinc/26/45/37/386264537.db2.gz CHWGSKMOBWRIAP-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@H](O)CN(CCOC)[C@H]1CCO[C@@H]1C ZINC000339132724 386264812 /nfs/dbraw/zinc/26/48/12/386264812.db2.gz KCXSJWZSNIXDJU-WOPDTQHZSA-N 0 3 231.336 0.883 20 0 BCADHN COC(=O)C[C@H](C)C(=O)NCC1(N(C)C)CC1 ZINC000416305951 386265818 /nfs/dbraw/zinc/26/58/18/386265818.db2.gz DDBMURBHMZEOSV-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN C[C@H](CNC(=O)c1cnns1)N(C)C1CC1 ZINC000057706596 386266921 /nfs/dbraw/zinc/26/69/21/386266921.db2.gz FATCGSFMBSBQFZ-SSDOTTSWSA-N 0 3 240.332 0.751 20 0 BCADHN CN(C)C1(CNC(=O)[C@H]2CCCN2C)CC1 ZINC000416302036 386267113 /nfs/dbraw/zinc/26/71/13/386267113.db2.gz MVKKMCYQEKMCHB-SNVBAGLBSA-N 0 3 225.336 0.291 20 0 BCADHN COC1(C(=O)NCC2(N(C)C)CC2)CCC1 ZINC000416306006 386267677 /nfs/dbraw/zinc/26/76/77/386267677.db2.gz DULSKKYBFCGUSF-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)[C@@H](CO)C(=O)NCC1(N(C)C)CC1 ZINC000416307736 386269397 /nfs/dbraw/zinc/26/93/97/386269397.db2.gz MGQYCNFAOAUKFT-SNVBAGLBSA-N 0 3 228.336 0.461 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 ZINC000416307421 386269751 /nfs/dbraw/zinc/26/97/51/386269751.db2.gz KYBQTDWGKAZGET-GMTAPVOTSA-N 0 3 238.331 0.622 20 0 BCADHN COC[C@@H](C)CC(=O)NCC1(N(C)C)CC1 ZINC000416308924 386269810 /nfs/dbraw/zinc/26/98/10/386269810.db2.gz SKYLNBLYYRLQJI-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CN(C)C1(CNC(=O)C2(C)COC2)CC1 ZINC000416308933 386269930 /nfs/dbraw/zinc/26/99/30/386269930.db2.gz SMJSKSCJUGDZMD-UHFFFAOYSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H]1C[C@H](C(=O)NCC2(N(C)C)CC2)CO1 ZINC000416309046 386269944 /nfs/dbraw/zinc/26/99/44/386269944.db2.gz UFLMBSVQKDJTMW-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1ncc(C(=O)NCCN2CCCCC2)[nH]1 ZINC000264783009 386270691 /nfs/dbraw/zinc/27/06/91/386270691.db2.gz WTQBYSGRGSYJQX-UHFFFAOYSA-N 0 3 236.319 0.934 20 0 BCADHN CC(=O)N1CCN(C[C@H]2CCOC2)[C@H](C)C1 ZINC000335262845 386325476 /nfs/dbraw/zinc/32/54/76/386325476.db2.gz VBYZBQIENLHJRM-ZYHUDNBSSA-N 0 3 226.320 0.576 20 0 BCADHN CC[C@]1(C)CCN(CCNS(C)(=O)=O)C1 ZINC000336653850 386272607 /nfs/dbraw/zinc/27/26/07/386272607.db2.gz YWKOJOQGVIWUCK-SNVBAGLBSA-N 0 3 234.365 0.658 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C)cnn1 ZINC000276120033 386276131 /nfs/dbraw/zinc/27/61/31/386276131.db2.gz WLYDZQCVWQIDTP-UHFFFAOYSA-N 0 3 208.265 0.076 20 0 BCADHN Cc1ncc(C(=O)NC[C@@H](C)N(C)C)[nH]1 ZINC000264871172 386279169 /nfs/dbraw/zinc/27/91/69/386279169.db2.gz RDPYVJMYBHFPKD-SSDOTTSWSA-N 0 3 210.281 0.398 20 0 BCADHN CO[C@H]1CN(CCSC)C[C@@H]1OC ZINC000336644699 386279972 /nfs/dbraw/zinc/27/99/72/386279972.db2.gz RDUSQWZVOMPXAS-IUCAKERBSA-N 0 3 205.323 0.695 20 0 BCADHN Cc1cn[nH]c1CNCCNC(=O)c1ccco1 ZINC000289712010 386343147 /nfs/dbraw/zinc/34/31/47/386343147.db2.gz CJABWTFRGSTMET-UHFFFAOYSA-N 0 3 248.286 0.831 20 0 BCADHN CCO[C@H]1C[C@@](N)(C(=O)NCCOC)C1(C)C ZINC000133726762 386344661 /nfs/dbraw/zinc/34/46/61/386344661.db2.gz HICQFMILAAOMFB-JOYOIKCWSA-N 0 3 244.335 0.282 20 0 BCADHN Cc1c(CN(CCO)CC2CC2)cnn1C ZINC000336700029 386386356 /nfs/dbraw/zinc/38/63/56/386386356.db2.gz KDDWDICSZWQDKV-UHFFFAOYSA-N 0 3 223.320 0.933 20 0 BCADHN CC[C@@H](C)CN(C)CCS(=O)(=O)N(C)C ZINC000336687111 386347277 /nfs/dbraw/zinc/34/72/77/386347277.db2.gz LFKQFXXTRGXWQY-SNVBAGLBSA-N 0 3 236.381 0.856 20 0 BCADHN COC(=O)CNC(=O)CN(C)CC(C)(C)C ZINC000339291083 386347543 /nfs/dbraw/zinc/34/75/43/386347543.db2.gz VCYKSCPOCUELRM-UHFFFAOYSA-N 0 3 230.308 0.254 20 0 BCADHN CCNC(=O)N[C@@H]1CNCCC1(F)F ZINC000335267748 386348599 /nfs/dbraw/zinc/34/85/99/386348599.db2.gz COMWVJGWTNSLKU-ZCFIWIBFSA-N 0 3 207.224 0.303 20 0 BCADHN CN(CCCNC(=O)CN)c1ccccc1F ZINC000237067212 386348918 /nfs/dbraw/zinc/34/89/18/386348918.db2.gz PJBHAEUNLMRZLA-UHFFFAOYSA-N 0 3 239.294 0.727 20 0 BCADHN CC(C)CCOCCN1[C@@H](CO)CC[C@H]1CO ZINC000347306077 386349667 /nfs/dbraw/zinc/34/96/67/386349667.db2.gz AMYSZPUMIQWUTK-BETUJISGSA-N 0 3 245.363 0.867 20 0 BCADHN C[C@H](O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000276598024 386351804 /nfs/dbraw/zinc/35/18/04/386351804.db2.gz XMHQWONHLRFBKH-JTQLQIEISA-N 0 3 240.303 0.551 20 0 BCADHN CC(C)NC(=O)N[C@@H]1CNCCC1(F)F ZINC000335270017 386353026 /nfs/dbraw/zinc/35/30/26/386353026.db2.gz ONDFUOQZMYXTMQ-SSDOTTSWSA-N 0 3 221.251 0.691 20 0 BCADHN C[C@@H](CC(N)=O)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000339285221 386353627 /nfs/dbraw/zinc/35/36/27/386353627.db2.gz RBVJWAJHLUMLQF-UWVGGRQHSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@@H](O)CCN1CC[C@H](N2CCCC2=O)C1 ZINC000336685445 386357228 /nfs/dbraw/zinc/35/72/28/386357228.db2.gz VHKZXHIALKETPA-MNOVXSKESA-N 0 3 226.320 0.454 20 0 BCADHN CC[C@](C)(NC(=O)/C=C/CN(C)C)C(=O)OC ZINC000265661142 386358601 /nfs/dbraw/zinc/35/86/01/386358601.db2.gz QWPAKSHVEOTCJL-GUOLPTJISA-N 0 3 242.319 0.562 20 0 BCADHN C[C@@H](NC(=O)[C@@]1(F)CCNC1)c1ccncc1 ZINC000366332292 386360165 /nfs/dbraw/zinc/36/01/65/386360165.db2.gz ZFXCTXSRBBJHBX-BXKDBHETSA-N 0 3 237.278 0.960 20 0 BCADHN CC[C@@H](COC)NC(=O)/C=C/CN(C)C ZINC000265711010 386363491 /nfs/dbraw/zinc/36/34/91/386363491.db2.gz HANSORAODGMEFD-FGEFZZPRSA-N 0 3 214.309 0.645 20 0 BCADHN Cc1noc(C)c1CN1[C@@H](CO)CC[C@H]1CO ZINC000347323991 386363797 /nfs/dbraw/zinc/36/37/97/386363797.db2.gz UQXHKESFGCINIO-PHIMTYICSA-N 0 3 240.303 0.609 20 0 BCADHN CN(CCN1CCCC1)Cc1cncn1C ZINC000336693514 386369239 /nfs/dbraw/zinc/36/92/39/386369239.db2.gz DDWIYVSJCCIPPY-UHFFFAOYSA-N 0 3 222.336 0.948 20 0 BCADHN CC(C)CC(C)(C)CNC(=O)C(=O)NCCN ZINC000391085081 386369365 /nfs/dbraw/zinc/36/93/65/386369365.db2.gz ICGUHJOJMZKGNN-UHFFFAOYSA-N 0 3 243.351 0.250 20 0 BCADHN Cc1csc(=O)n1CCN1CC[C@H](CO)C1 ZINC000265796597 386369705 /nfs/dbraw/zinc/36/97/05/386369705.db2.gz HJLUJJUHBCDONH-JTQLQIEISA-N 0 3 242.344 0.532 20 0 BCADHN C[C@H](CNC(=O)C(C)(C)N)Cn1ccnc1 ZINC000237375841 386372049 /nfs/dbraw/zinc/37/20/49/386372049.db2.gz MOGRJJUUGLLGQP-SECBINFHSA-N 0 3 224.308 0.373 20 0 BCADHN OCCN1CCN(CC[C@H]2CCCCO2)CC1 ZINC000347401777 386387300 /nfs/dbraw/zinc/38/73/00/386387300.db2.gz RUYLJHZCXVVBIG-CYBMUJFWSA-N 0 3 242.363 0.556 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CCCO2)C[C@@H]1OC ZINC000336696049 386373278 /nfs/dbraw/zinc/37/32/78/386373278.db2.gz ICMNEIAKKDOAOV-GARJFASQSA-N 0 3 215.293 0.511 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCN(C)C1)c1ccco1 ZINC000336743458 386375369 /nfs/dbraw/zinc/37/53/69/386375369.db2.gz PEQCJUSIHGFFPP-PWSUYJOCSA-N 0 3 224.304 0.997 20 0 BCADHN CC(C)C(=O)NCCN(C)CCc1cn[nH]c1 ZINC000289980366 386380287 /nfs/dbraw/zinc/38/02/87/386380287.db2.gz JPTTYQXBQQCSJK-UHFFFAOYSA-N 0 3 238.335 0.656 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000237465401 386380871 /nfs/dbraw/zinc/38/08/71/386380871.db2.gz RNOFSHCXLSBGOU-VXGBXAGGSA-N 0 3 247.342 0.976 20 0 BCADHN C[C@H](C[C@H](O)c1ccccc1)NC(=O)CN ZINC000237453217 386381068 /nfs/dbraw/zinc/38/10/68/386381068.db2.gz KYCHJFHIWDZBDY-KOLCDFICSA-N 0 3 222.288 0.574 20 0 BCADHN Cc1ocnc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237492387 386383418 /nfs/dbraw/zinc/38/34/18/386383418.db2.gz WNKAKYJPUJJQCV-SFYZADRCSA-N 0 3 223.276 0.805 20 0 BCADHN CN(CCc1cn[nH]c1)CCN1CCOCC1 ZINC000290020133 386384563 /nfs/dbraw/zinc/38/45/63/386384563.db2.gz MPHVKAJCYKRHSM-UHFFFAOYSA-N 0 3 238.335 0.216 20 0 BCADHN COC(=O)CCN1C[C@@H](C(=O)OC)C(C)(C)C1 ZINC000366671434 386384681 /nfs/dbraw/zinc/38/46/81/386384681.db2.gz PJJTXORRISBCHC-VIFPVBQESA-N 0 3 243.303 0.681 20 0 BCADHN Cc1n[nH]cc1CN1CCCC[C@H]1CC(N)=O ZINC000092589402 386384711 /nfs/dbraw/zinc/38/47/11/386384711.db2.gz RLAPKZARTWMQRZ-NSHDSACASA-N 0 3 236.319 0.948 20 0 BCADHN CS(=O)(=O)N[C@H]1CCN(CCC2CC2)C1 ZINC000336698569 386385065 /nfs/dbraw/zinc/38/50/65/386385065.db2.gz ROSXISAXRHTTCO-JTQLQIEISA-N 0 3 232.349 0.410 20 0 BCADHN CO[C@H](C)CN(C)C[C@H]1COCCO1 ZINC000336676063 386325869 /nfs/dbraw/zinc/32/58/69/386325869.db2.gz CAUNFVQZQLUKLI-ZJUUUORDSA-N 0 3 203.282 0.369 20 0 BCADHN Cc1nocc1CNC[C@H]1CN(C)CCN1C ZINC000339250884 386326555 /nfs/dbraw/zinc/32/65/55/386326555.db2.gz NMSJASCYNMEYPY-LBPRGKRZSA-N 0 3 238.335 0.318 20 0 BCADHN CN(CC(=O)N1CCNC1=O)CC(C)(C)C ZINC000339255718 386328279 /nfs/dbraw/zinc/32/82/79/386328279.db2.gz QRFXEOCGRUWXJB-UHFFFAOYSA-N 0 3 227.308 0.516 20 0 BCADHN CC[C@H](C)CS(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000416498477 386328331 /nfs/dbraw/zinc/32/83/31/386328331.db2.gz XMFANPDWRORLDW-WDEREUQCSA-N 0 3 248.392 0.904 20 0 BCADHN CCC(CC)NC(=O)NC[C@@H]1CNCCO1 ZINC000416792252 386385809 /nfs/dbraw/zinc/38/58/09/386385809.db2.gz LDXKDOFKOZDEKO-JTQLQIEISA-N 0 3 229.324 0.463 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1C[C@H](O)C1(C)C)N(C)C ZINC000190624271 386330454 /nfs/dbraw/zinc/33/04/54/386330454.db2.gz WFJUXJIDMYXJCK-BBBLOLIVSA-N 0 3 228.336 0.602 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)N1CC[C@H](F)C1 ZINC000334496878 386385879 /nfs/dbraw/zinc/38/58/79/386385879.db2.gz DCIYGIZBCKFVJE-UWVGGRQHSA-N 0 3 241.310 0.977 20 0 BCADHN Cc1nnc(NC(=O)NC[C@H](C)N(C)C)s1 ZINC000298377809 386332396 /nfs/dbraw/zinc/33/23/96/386332396.db2.gz DBNNEBQBRKPZBQ-LURJTMIESA-N 0 3 243.336 0.918 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN1CC[C@H]1COC ZINC000339279738 386333083 /nfs/dbraw/zinc/33/30/83/386333083.db2.gz FOMRPJJYGMGPIH-SRVKXCTJSA-N 0 3 247.335 0.120 20 0 BCADHN C[C@H](CC(N)=O)C(=O)NCCN1CCCCC1 ZINC000339263633 386334180 /nfs/dbraw/zinc/33/41/80/386334180.db2.gz KGXNKEIUZHYLIS-SNVBAGLBSA-N 0 3 241.335 0.100 20 0 BCADHN CN(CCNC(=O)[C@H](O)c1ccccc1)C1CC1 ZINC000265417731 386335702 /nfs/dbraw/zinc/33/57/02/386335702.db2.gz HLBJHJUETVXUFZ-CYBMUJFWSA-N 0 3 248.326 0.930 20 0 BCADHN CCOCCN1CC[C@H](N2CCCC2=O)C1 ZINC000336681640 386337239 /nfs/dbraw/zinc/33/72/39/386337239.db2.gz RCBTUJQEPVOXJF-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000336681573 386338362 /nfs/dbraw/zinc/33/83/62/386338362.db2.gz QUIGTHRRMSOHJJ-VWYCJHECSA-N 0 3 224.304 0.233 20 0 BCADHN COC[C@@H]1CCN1C[C@H](O)CCOC(C)C ZINC000339280996 386339604 /nfs/dbraw/zinc/33/96/04/386339604.db2.gz IEMPVKVFRWIBJV-NWDGAFQWSA-N 0 3 231.336 0.883 20 0 BCADHN CC[C@@H](C)N(CCO)CC(=O)NCC1CCC1 ZINC000347481982 386436883 /nfs/dbraw/zinc/43/68/83/386436883.db2.gz SGEAJHZYCHVHNE-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN CO[C@H]1CCCC[C@@H]1N[C@H](C)C(=O)NC(N)=O ZINC000441253632 386452566 /nfs/dbraw/zinc/45/25/66/386452566.db2.gz AXLBKOQJRGLUCS-VGMNWLOBSA-N 0 3 243.307 0.117 20 0 BCADHN C[C@@H]1NCCN(C(=O)COc2cccnc2)[C@H]1C ZINC000277488123 386438960 /nfs/dbraw/zinc/43/89/60/386438960.db2.gz NKOVIFXZIQPDIG-QWRGUYRKSA-N 0 3 249.314 0.669 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)/C=C/c1ccnn1C ZINC000277509956 386443648 /nfs/dbraw/zinc/44/36/48/386443648.db2.gz QUZHQDBDGFACSP-BXXZLRJFSA-N 0 3 248.330 0.642 20 0 BCADHN CCOC[C@@H](O)CNCc1c(C)cnn1C ZINC000336777986 386444637 /nfs/dbraw/zinc/44/46/37/386444637.db2.gz KAVBCMRZHPPNIP-JTQLQIEISA-N 0 3 227.308 0.216 20 0 BCADHN COC[C@@H]1CCCN(CCn2cncn2)C1 ZINC000336699972 386387780 /nfs/dbraw/zinc/38/77/80/386387780.db2.gz JXWMTOFTMCJWPQ-LLVKDONJSA-N 0 3 224.308 0.637 20 0 BCADHN CCN(C)CCNC(=O)C[C@@](C)(O)C1CC1 ZINC000339370159 386390265 /nfs/dbraw/zinc/39/02/65/386390265.db2.gz PMISKBFFOBPNMO-GFCCVEGCSA-N 0 3 228.336 0.605 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN(CC)CCOC ZINC000347354458 386392694 /nfs/dbraw/zinc/39/26/94/386392694.db2.gz RZGHLXHDQIGMID-NSHDSACASA-N 0 3 233.308 0.269 20 0 BCADHN C[C@@H](NC(=O)CN)c1noc(-c2ccccc2)n1 ZINC000237591414 386393365 /nfs/dbraw/zinc/39/33/65/386393365.db2.gz KCYJXBGWDSXHIJ-MRVPVSSYSA-N 0 3 246.270 0.873 20 0 BCADHN COCCN1CCN(CCC(C)(C)O)CC1 ZINC000347359616 386394908 /nfs/dbraw/zinc/39/49/08/386394908.db2.gz DSKFYJPPKJUBNY-UHFFFAOYSA-N 0 3 230.352 0.411 20 0 BCADHN CCN(CCn1ccnc1)[C@@H]1CCOC1 ZINC000336704877 386395193 /nfs/dbraw/zinc/39/51/93/386395193.db2.gz QUSCVGBRRBPUGO-LLVKDONJSA-N 0 3 209.293 0.994 20 0 BCADHN Cn1nc2c(cc1=O)CN(C[C@@H]1CCOC1)CC2 ZINC000336705282 386395258 /nfs/dbraw/zinc/39/52/58/386395258.db2.gz JGQWRBLOKBJNAR-JTQLQIEISA-N 0 3 249.314 0.175 20 0 BCADHN CO[C@H]1COC[C@@H]1NC[C@@H](O)c1ccccc1 ZINC000290120270 386395698 /nfs/dbraw/zinc/39/56/98/386395698.db2.gz KQXNDMIPOSLAQA-XQQFMLRXSA-N 0 3 237.299 0.723 20 0 BCADHN CC[C@H](N[C@@H](C)C(=O)NC(N)=O)[C@H]1CCCO1 ZINC000182234239 386396506 /nfs/dbraw/zinc/39/65/06/386396506.db2.gz FZGJTSCCHHCHBX-XHNCKOQMSA-N 0 3 243.307 0.117 20 0 BCADHN CO[C@H]1COC[C@@H]1NCc1ccc(CO)cc1 ZINC000290113795 386396936 /nfs/dbraw/zinc/39/69/36/386396936.db2.gz KAZVBRMFTCPUBR-STQMWFEESA-N 0 3 237.299 0.682 20 0 BCADHN C[C@H](NC(=O)CN)c1noc(-c2ccccc2)n1 ZINC000237624056 386399159 /nfs/dbraw/zinc/39/91/59/386399159.db2.gz KCYJXBGWDSXHIJ-QMMMGPOBSA-N 0 3 246.270 0.873 20 0 BCADHN CCN(CCN1CCCS1(=O)=O)CC1CC1 ZINC000336700935 386401875 /nfs/dbraw/zinc/40/18/75/386401875.db2.gz LPLIVDXPMLXAQL-UHFFFAOYSA-N 0 3 246.376 0.754 20 0 BCADHN O=C1NC(=O)[C@@H]2CN([C@@H]3C=CCCC3)CC[C@@H]12 ZINC000366356735 386403008 /nfs/dbraw/zinc/40/30/08/386403008.db2.gz PNTQLNRBVNFTGN-GMTAPVOTSA-N 0 3 234.299 0.690 20 0 BCADHN Cc1nc(C(C)(C)NC(=O)[C@@H]2C[C@@H]2N)no1 ZINC000331998409 386403220 /nfs/dbraw/zinc/40/32/20/386403220.db2.gz ZOWPAQRAEYDHKJ-RQJHMYQMSA-N 0 3 224.264 0.077 20 0 BCADHN NC(=O)[C@@H]1CCN(Cc2ccc(=O)[nH]c2)C1 ZINC000637829247 386405909 /nfs/dbraw/zinc/40/59/09/386405909.db2.gz LJPBXZPMRCWWNY-SECBINFHSA-N 0 3 221.260 0.094 20 0 BCADHN CO[C@H]1COC[C@@H]1N[C@H]1Cc2ccccc2[C@H]1O ZINC000290203744 386407245 /nfs/dbraw/zinc/40/72/45/386407245.db2.gz UGZWZDBOAXECQK-XDQVBPFNSA-N 0 3 249.310 0.648 20 0 BCADHN CCC[C@H](N)C(=O)NCCCn1ccnc1C ZINC000347455627 386413186 /nfs/dbraw/zinc/41/31/86/386413186.db2.gz NPHGDUACBWIHQW-NSHDSACASA-N 0 3 238.335 0.825 20 0 BCADHN COC[C@H](C)CN(C)CCNC(=O)N(C)C ZINC000527355596 386416151 /nfs/dbraw/zinc/41/61/51/386416151.db2.gz PSCBOTVZRXYNGV-SNVBAGLBSA-N 0 3 231.340 0.472 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2ncn(C)n2)CN1C1CC1 ZINC000290293636 386416769 /nfs/dbraw/zinc/41/67/69/386416769.db2.gz DJZDDMDGTNZOKU-BDAKNGLRSA-N 0 3 249.318 0.170 20 0 BCADHN CN(Cc1ncnn1C)[C@@H]1CCN(C2CC2)C1 ZINC000336709004 386418173 /nfs/dbraw/zinc/41/81/73/386418173.db2.gz PKEDMAITFHSOIF-LLVKDONJSA-N 0 3 235.335 0.484 20 0 BCADHN CN(C)C[C@H]1CN(C[C@@H]2CCOC2)CCO1 ZINC000336709326 386423355 /nfs/dbraw/zinc/42/33/55/386423355.db2.gz WSIJLQJBEUHXKK-RYUDHWBXSA-N 0 3 228.336 0.285 20 0 BCADHN OC[C@H](O)CNCc1cc2ccc(F)cc2[nH]1 ZINC000347501086 386425211 /nfs/dbraw/zinc/42/52/11/386425211.db2.gz SOHPDHANVFCEMY-LLVKDONJSA-N 0 3 238.262 0.750 20 0 BCADHN O=C(CNC[C@H]1CCCO1)NCc1ccccn1 ZINC000237932353 386425789 /nfs/dbraw/zinc/42/57/89/386425789.db2.gz KUAZJISGEUZWPO-GFCCVEGCSA-N 0 3 249.314 0.466 20 0 BCADHN CCN(CC)[C@H](C)CNc1nccn(C)c1=O ZINC000266318958 386426208 /nfs/dbraw/zinc/42/62/08/386426208.db2.gz FKCFNEWUCNBIBZ-SNVBAGLBSA-N 0 3 238.335 0.923 20 0 BCADHN CN(CCNC(=O)c1n[nH]c2c1CCC2)C1CC1 ZINC000299214838 386427198 /nfs/dbraw/zinc/42/71/98/386427198.db2.gz RICCNYLWMDARBO-UHFFFAOYSA-N 0 3 248.330 0.722 20 0 BCADHN C[C@H](C(=O)NC[C@@H]1CCCN1C)n1cccn1 ZINC000299236540 386428436 /nfs/dbraw/zinc/42/84/36/386428436.db2.gz ADKYPNLJDHTYJP-MNOVXSKESA-N 0 3 236.319 0.655 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)Cn1ccnc1 ZINC000299236392 386429022 /nfs/dbraw/zinc/42/90/22/386429022.db2.gz HIJPXRCJYOMNKQ-LLVKDONJSA-N 0 3 238.335 0.730 20 0 BCADHN CC(C)N1CCCN(Cc2ncnn2C)CC1 ZINC000336713083 386429078 /nfs/dbraw/zinc/42/90/78/386429078.db2.gz SHOWTNZPCZKEEM-UHFFFAOYSA-N 0 3 237.351 0.731 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000519402958 386430202 /nfs/dbraw/zinc/43/02/02/386430202.db2.gz MGPLAEDULRTXIL-VWYCJHECSA-N 0 3 225.336 0.276 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCC(=O)N1CCCCC1 ZINC000134450715 386431328 /nfs/dbraw/zinc/43/13/28/386431328.db2.gz UEVKWMCMPQPGGG-LLVKDONJSA-N 0 3 241.335 0.098 20 0 BCADHN COCCCCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000417022956 386432144 /nfs/dbraw/zinc/43/21/44/386432144.db2.gz IDMAZOLVIGJDPF-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cccn(C)c2=O)[C@H]1C ZINC000277422308 386433854 /nfs/dbraw/zinc/43/38/54/386433854.db2.gz ATJYARFHFKXOQJ-UWVGGRQHSA-N 0 3 249.314 0.208 20 0 BCADHN N[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)O2)C1CCC1 ZINC000399174068 386434669 /nfs/dbraw/zinc/43/46/69/386434669.db2.gz JEZUYBIDBBBYDF-AXFHLTTASA-N 0 3 224.304 0.504 20 0 BCADHN Cc1cc(CN2CCNC[C@@](C)(F)C2)nn1C ZINC000414766466 386435380 /nfs/dbraw/zinc/43/53/80/386435380.db2.gz DOXAWZRURKICAK-GFCCVEGCSA-N 0 3 240.326 0.862 20 0 BCADHN C[C@H](N)C(=O)NCc1nncn1-c1ccccc1 ZINC000347477354 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/nfs/dbraw/zinc/71/03/71/386710371.db2.gz FCUZSEQMEJXNEL-CBAPKCEASA-N 0 3 240.307 0.895 20 0 BCADHN C[C@@H]1[C@@H](C)N(CCCCO)CCN1C ZINC000357077370 386711200 /nfs/dbraw/zinc/71/12/00/386711200.db2.gz XWJQXHNTVSILLW-GHMZBOCLSA-N 0 3 200.326 0.783 20 0 BCADHN CCN[C@H](C)C(=O)NCC(=O)Nc1ccccc1 ZINC000637937110 386683043 /nfs/dbraw/zinc/68/30/43/386683043.db2.gz REWJOWHWFRHPJT-SNVBAGLBSA-N 0 3 249.314 0.739 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000330379100 386684452 /nfs/dbraw/zinc/68/44/52/386684452.db2.gz KPRWYLIFWUQGMC-SECBINFHSA-N 0 3 242.323 0.011 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cn3c(n2)CCC3)[C@@H]1C ZINC000335470655 386689571 /nfs/dbraw/zinc/68/95/71/386689571.db2.gz PZCWBOVIFQAKNQ-NXEZZACHSA-N 0 3 248.330 0.652 20 0 BCADHN Cn1ccc(C(=O)NCCN2CCCC2)c1 ZINC000357017198 386690174 /nfs/dbraw/zinc/69/01/74/386690174.db2.gz SJSNLICHLSPRFM-UHFFFAOYSA-N 0 3 221.304 0.851 20 0 BCADHN C[C@@H](CCCO)NC(=O)NC[C@@H]1CCCN1C ZINC000121065181 386692797 /nfs/dbraw/zinc/69/27/97/386692797.db2.gz NGPYKVLUZCMUMU-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN CCN(CCCO)C(=O)[C@@H]1CCCN1C ZINC000339837497 386693493 /nfs/dbraw/zinc/69/34/93/386693493.db2.gz PUKYAJLCHQLTTI-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN CC[C@H]1[C@@H](C)CCN1CC(=O)NCC(=O)OC ZINC000185635874 386711929 /nfs/dbraw/zinc/71/19/29/386711929.db2.gz NDMIWINUVREKQF-UWVGGRQHSA-N 0 3 242.319 0.396 20 0 BCADHN CCN(C)C(=O)CN1CCCN(C(C)C)CC1 ZINC000340686871 386695453 /nfs/dbraw/zinc/69/54/53/386695453.db2.gz JZSKSTRJICURGH-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CCC[C@H](O)CN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000450782142 386699343 /nfs/dbraw/zinc/69/93/43/386699343.db2.gz WJADTWFUMNRZPL-OUAUKWLOSA-N 0 3 228.336 0.733 20 0 BCADHN COc1ncncc1CN1CCCN(C)CC1 ZINC000647998316 386700217 /nfs/dbraw/zinc/70/02/17/386700217.db2.gz UOICUVXMOABLBL-UHFFFAOYSA-N 0 3 236.319 0.623 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@@H](O)COC ZINC000520571669 386701416 /nfs/dbraw/zinc/70/14/16/386701416.db2.gz BEUPURHKZAXRKI-WDEREUQCSA-N 0 3 216.325 0.020 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)N[C@@H]1CCSC1 ZINC000417771159 386701753 /nfs/dbraw/zinc/70/17/53/386701753.db2.gz HFVPBFUESCANFK-IVZWLZJFSA-N 0 3 243.376 0.884 20 0 BCADHN C[C@@H]1[C@@H](C)N(CCOCCO)CCN1C ZINC000357039404 386701743 /nfs/dbraw/zinc/70/17/43/386701743.db2.gz OHIFIBQOPZOOEK-GHMZBOCLSA-N 0 3 216.325 0.020 20 0 BCADHN Cc1c[nH]nc1CNC[C@H](O)C1CCOCC1 ZINC000352843486 386702126 /nfs/dbraw/zinc/70/21/26/386702126.db2.gz WXGKMOURIFINLX-LBPRGKRZSA-N 0 3 239.319 0.595 20 0 BCADHN CSC1(CNC(N)=O)CCN(C)CC1 ZINC000357059850 386706202 /nfs/dbraw/zinc/70/62/02/386706202.db2.gz XAABOIKFCQEUOH-UHFFFAOYSA-N 0 3 217.338 0.482 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)[C@@H]1CCCC[C@H]1O ZINC000450792816 386707232 /nfs/dbraw/zinc/70/72/32/386707232.db2.gz OIJVQLMTRGHPTE-IJLUTSLNSA-N 0 3 229.320 0.562 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C2CCN(C)CC2)CO1 ZINC000335535226 386736548 /nfs/dbraw/zinc/73/65/48/386736548.db2.gz WESDEKBJWZNKRR-ONGXEEELSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@H](O)CN[C@H]1CCCc2nn(C)cc21 ZINC000330438509 386738134 /nfs/dbraw/zinc/73/81/34/386738134.db2.gz SHZLOMYIFQUIMV-KOLCDFICSA-N 0 3 239.319 0.394 20 0 BCADHN C[C@@H](NC(=O)C1CCN(C)CC1)c1cn[nH]c1 ZINC000339878491 386738453 /nfs/dbraw/zinc/73/84/53/386738453.db2.gz IWNRLLCRJZTYIB-SECBINFHSA-N 0 3 236.319 0.929 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC2(CCO2)CC1 ZINC000367252970 386713370 /nfs/dbraw/zinc/71/33/70/386713370.db2.gz SDLLVEYMXZYQKX-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)[C@H](C)N)C1 ZINC000121752570 386714612 /nfs/dbraw/zinc/71/46/12/386714612.db2.gz FBZLPRSYJNAFGZ-DGIRIXITSA-N 0 3 246.376 0.530 20 0 BCADHN CO[C@@]1(C)C[C@@H](NC(=O)[C@@H](C)N)C1(C)C ZINC000121684815 386714761 /nfs/dbraw/zinc/71/47/61/386714761.db2.gz GTYLLGPIQGQISS-XLDPMVHQSA-N 0 3 214.309 0.653 20 0 BCADHN CC(C)[C@H]1OCCC[C@H]1CNC(=O)[C@H](C)N ZINC000121808044 386723125 /nfs/dbraw/zinc/72/31/25/386723125.db2.gz QYVZZAIFPLTGLV-GARJFASQSA-N 0 3 228.336 0.901 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@H]1CC[C@@H](CO)O1 ZINC000292784236 386725681 /nfs/dbraw/zinc/72/56/81/386725681.db2.gz ULRMLARIHRLNPC-MNOVXSKESA-N 0 3 239.319 0.656 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)N(C)C ZINC000457434580 386726370 /nfs/dbraw/zinc/72/63/70/386726370.db2.gz LYSSHHMOCLBBDU-LMLFDSFASA-N 0 3 238.331 0.668 20 0 BCADHN CCC[C@@](C)([NH3+])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726728 386726795 /nfs/dbraw/zinc/72/67/95/386726795.db2.gz QCFDREIZSMTBLZ-GXFFZTMASA-N 0 3 239.363 0.857 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726728 386726806 /nfs/dbraw/zinc/72/68/06/386726806.db2.gz QCFDREIZSMTBLZ-GXFFZTMASA-N 0 3 239.363 0.857 20 0 BCADHN C[C@H]1CNCCN1C(=O)c1ccc2cncn2c1 ZINC000335539285 386744925 /nfs/dbraw/zinc/74/49/25/386744925.db2.gz RIWOLYDHZRKNQS-JTQLQIEISA-N 0 3 244.298 0.768 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1Cc1cnnn1C ZINC000357239939 386745886 /nfs/dbraw/zinc/74/58/86/386745886.db2.gz UJMWTAIHESHMQG-GFCCVEGCSA-N 0 3 237.351 0.587 20 0 BCADHN NS(=O)(=O)[C@H]1CCN(CCCCCF)C1 ZINC000330512610 386746022 /nfs/dbraw/zinc/74/60/22/386746022.db2.gz BUWDVKJWBCGLRX-VIFPVBQESA-N 0 3 238.328 0.489 20 0 BCADHN Cn1cncc1CNCCOCC(F)F ZINC000190888390 386747113 /nfs/dbraw/zinc/74/71/13/386747113.db2.gz WBQGMYIGPFXVQH-UHFFFAOYSA-N 0 3 219.235 0.791 20 0 BCADHN CCC[C@H](O)CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000450834134 386748294 /nfs/dbraw/zinc/74/82/94/386748294.db2.gz XSLIFOGRKOSTJR-YFKTTZPYSA-N 0 3 240.347 0.733 20 0 BCADHN C[C@@H](O)CN1CCC[C@@H](c2ccnn2C)C1 ZINC000334150038 386750198 /nfs/dbraw/zinc/75/01/98/386750198.db2.gz KAJFGSKMLGKTDY-GHMZBOCLSA-N 0 3 223.320 0.980 20 0 BCADHN CC(C)(C)CCN1CCN(CC(N)=O)CC1 ZINC000340407115 386753550 /nfs/dbraw/zinc/75/35/50/386753550.db2.gz WQFDIYGXIPIPEF-UHFFFAOYSA-N 0 3 227.352 0.526 20 0 BCADHN CC[C@@H](C(=O)NCCN1CCCCC1)[C@@H](C)O ZINC000357286844 386754718 /nfs/dbraw/zinc/75/47/18/386754718.db2.gz FVYYLXDQUMQEAA-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CCN(CCN1C(=O)NC(C)(C)C1=O)C1CC1 ZINC000045771045 386755461 /nfs/dbraw/zinc/75/54/61/386755461.db2.gz IFQHEXBIIYHJME-UHFFFAOYSA-N 0 3 239.319 0.801 20 0 BCADHN COCCn1cc(CNCCN2CCC2)cn1 ZINC000344841830 386759450 /nfs/dbraw/zinc/75/94/50/386759450.db2.gz CAVSRDQRCJWUOE-UHFFFAOYSA-N 0 3 238.335 0.325 20 0 BCADHN c1[n-][nH]c2ncnc(=NCC[NH+]3CCCC3)c1-2 ZINC000357323338 386760267 /nfs/dbraw/zinc/76/02/67/386760267.db2.gz XCXFGBGHWAEUAD-UHFFFAOYSA-N 0 3 232.291 0.234 20 0 BCADHN C[C@H](CO)CCCNC(=O)C1CCN(C)CC1 ZINC000340409530 386760544 /nfs/dbraw/zinc/76/05/44/386760544.db2.gz OSJLCRJVFMOWCA-NSHDSACASA-N 0 3 242.363 0.853 20 0 BCADHN C[C@H](O)CN(CCOC(C)(C)C)[C@@H](C)CO ZINC000190906439 386762332 /nfs/dbraw/zinc/76/23/32/386762332.db2.gz LELIQUAJKSRCQG-QWRGUYRKSA-N 0 3 233.352 0.865 20 0 BCADHN COC(=O)c1ccc(CNC(=O)C2(N)CC2)o1 ZINC000269220305 386763125 /nfs/dbraw/zinc/76/31/25/386763125.db2.gz NIWJTMVEDNWFJG-UHFFFAOYSA-N 0 3 238.243 0.174 20 0 BCADHN CC[C@H](OC)C(=O)NCCN(C)CCCOC ZINC000357341745 386763981 /nfs/dbraw/zinc/76/39/81/386763981.db2.gz LBVGHYZBZCLWPA-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN Cc1nc(C)c(NC(=O)[C@H]2C[C@@H](O)CN2)s1 ZINC000269223000 386764093 /nfs/dbraw/zinc/76/40/93/386764093.db2.gz CCHCMPCRILCWTG-HTQZYQBOSA-N 0 3 241.316 0.421 20 0 BCADHN O[C@@H]1CN(CCOC2CCCCCC2)C[C@@H]1O ZINC000408442607 386764324 /nfs/dbraw/zinc/76/43/24/386764324.db2.gz MHBFLAMJXQNHOH-BETUJISGSA-N 0 3 243.347 0.763 20 0 BCADHN CC[C@H](N)C(=O)NCc1cn2ccc(C)cc2n1 ZINC000269233318 386764806 /nfs/dbraw/zinc/76/48/06/386764806.db2.gz FHXPIVATOLJGKE-NSHDSACASA-N 0 3 246.314 0.996 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCC1(N(C)C)CCC1 ZINC000165146382 386765178 /nfs/dbraw/zinc/76/51/78/386765178.db2.gz CCKDSQHCUSUXNO-SNVBAGLBSA-N 0 3 248.392 0.493 20 0 BCADHN CCCCN(C)CCNC(=O)CC(=O)NCC ZINC000357355524 386766473 /nfs/dbraw/zinc/76/64/73/386766473.db2.gz NFLCMZAOYXUNSU-UHFFFAOYSA-N 0 3 243.351 0.361 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@H](C)Cn1cncn1 ZINC000269255219 386767787 /nfs/dbraw/zinc/76/77/87/386767787.db2.gz RUXFWORCQZQILM-ZJUUUORDSA-N 0 3 239.323 0.156 20 0 BCADHN CN(CCNC(=O)N(C)C)CC1(C)COC1 ZINC000348923471 386768169 /nfs/dbraw/zinc/76/81/69/386768169.db2.gz WPHQKGANJMQKGF-UHFFFAOYSA-N 0 3 229.324 0.226 20 0 BCADHN C[C@@H](O)CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000192437719 386768192 /nfs/dbraw/zinc/76/81/92/386768192.db2.gz FIEWKEHLXDHZMW-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccnc(N(C)C)c1 ZINC000269252085 386768197 /nfs/dbraw/zinc/76/81/97/386768197.db2.gz HJJJXWFJDGDMEI-SSDOTTSWSA-N 0 3 208.265 0.433 20 0 BCADHN CN(Cc1cnn(-c2ccccc2)n1)C(=O)CN ZINC000269046972 386742860 /nfs/dbraw/zinc/74/28/60/386742860.db2.gz OMQYKMONPNVNAE-UHFFFAOYSA-N 0 3 245.286 0.184 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccc(C(=O)OC)o1 ZINC000269068514 386743862 /nfs/dbraw/zinc/74/38/62/386743862.db2.gz QNABUMPPQQVNQD-QMMMGPOBSA-N 0 3 240.259 0.420 20 0 BCADHN CO[C@@](C)(CN[C@H](C)CS(C)(=O)=O)C1CC1 ZINC000336668177 386789377 /nfs/dbraw/zinc/78/93/77/386789377.db2.gz QWRNBMLUPFOPIK-KOLCDFICSA-N 0 3 249.376 0.824 20 0 BCADHN Cc1[nH]nc(C(=O)N[C@@H](C)CN(C)C)c1C ZINC000331237394 386789552 /nfs/dbraw/zinc/78/95/52/386789552.db2.gz MVYZCERVNHEVLV-ZETCQYMHSA-N 0 3 224.308 0.706 20 0 BCADHN C[C@@H](O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000248744794 386792746 /nfs/dbraw/zinc/79/27/46/386792746.db2.gz MYFBFTOUOOXXRY-NXEZZACHSA-N 0 3 209.293 0.590 20 0 BCADHN CCN(CCO)CCNCc1conc1C ZINC000293273161 386794335 /nfs/dbraw/zinc/79/43/35/386794335.db2.gz NPDVDJQTINKAGX-UHFFFAOYSA-N 0 3 227.308 0.387 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@H](C)CS(C)(=O)=O)C1(C)C ZINC000300360309 386794983 /nfs/dbraw/zinc/79/49/83/386794983.db2.gz WUQSIMBXNVIOAY-OPRDCNLKSA-N 0 3 249.376 0.823 20 0 BCADHN CSC[C@@H](O)CN1CCC[C@@](O)(C(N)=O)C1 ZINC000330578243 386795368 /nfs/dbraw/zinc/79/53/68/386795368.db2.gz SGPDGOVRYAJSJC-WPRPVWTQSA-N 0 3 248.348 0.072 20 0 BCADHN CCN(CC)CC(=O)N(C)[C@H]1CCCOC1 ZINC000340880285 386795594 /nfs/dbraw/zinc/79/55/94/386795594.db2.gz CYBVZHLVEGETFI-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN O=C1NCC[C@H]1N1CCC(c2ncc[nH]2)CC1 ZINC000269264050 386770427 /nfs/dbraw/zinc/77/04/27/386770427.db2.gz FVJGHJTZOADBOJ-SNVBAGLBSA-N 0 3 234.303 0.478 20 0 BCADHN CN(C)CCOCCNC(=O)NCCCF ZINC000527066572 386771241 /nfs/dbraw/zinc/77/12/41/386771241.db2.gz NVKQRFFHHYFQAP-UHFFFAOYSA-N 0 3 235.303 0.223 20 0 BCADHN CC(C)(N)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000269278725 386771442 /nfs/dbraw/zinc/77/14/42/386771442.db2.gz ZDGXWADHFJPQRQ-UHFFFAOYSA-N 0 3 245.286 0.943 20 0 BCADHN COC(=O)[C@@H]1CSCCN([C@H]2CCOC2)C1 ZINC000334637092 386772152 /nfs/dbraw/zinc/77/21/52/386772152.db2.gz KWBDNPDLBQURPP-UWVGGRQHSA-N 0 3 245.344 0.613 20 0 BCADHN Cc1ccc(C(=O)NCCC[NH3+])c([O-])c1 ZINC000019504273 386774148 /nfs/dbraw/zinc/77/41/48/386774148.db2.gz HBZDKLDIRZYQSV-UHFFFAOYSA-N 0 3 208.261 0.779 20 0 BCADHN CC(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000031465680 386777066 /nfs/dbraw/zinc/77/70/66/386777066.db2.gz WVRJSOOXGYWSNL-UHFFFAOYSA-N 0 3 249.314 0.936 20 0 BCADHN CNC(=O)C(C)(C)CNCc1cnc(C)nc1 ZINC000344822962 386783847 /nfs/dbraw/zinc/78/38/47/386783847.db2.gz FTZIKPJWIDSETO-UHFFFAOYSA-N 0 3 236.319 0.647 20 0 BCADHN CN(C[C@@H](O)CN1CC(F)C1)C1CC1 ZINC000357450664 386784145 /nfs/dbraw/zinc/78/41/45/386784145.db2.gz IGBRXFHCWABJOQ-SNVBAGLBSA-N 0 3 202.273 0.095 20 0 BCADHN CN(C)C/C=C/C(=O)NCCc1ccncc1 ZINC000269364528 386784829 /nfs/dbraw/zinc/78/48/29/386784829.db2.gz VIKRJQWZMCLWTP-ONEGZZNKSA-N 0 3 233.315 0.858 20 0 BCADHN CC[C@@H](C)N(CCO)CC(=O)NCC(C)C ZINC000336667886 386786341 /nfs/dbraw/zinc/78/63/41/386786341.db2.gz QNMNEWRACQSLNK-LLVKDONJSA-N 0 3 230.352 0.851 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)NCC(F)(F)CN)C1 ZINC000417805570 386787587 /nfs/dbraw/zinc/78/75/87/386787587.db2.gz HLIRWFGMKSOGHQ-JGVFFNPUSA-N 0 3 235.278 0.085 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)NCC(F)(F)CN)C1 ZINC000417805572 386787926 /nfs/dbraw/zinc/78/79/26/386787926.db2.gz HLIRWFGMKSOGHQ-YUMQZZPRSA-N 0 3 235.278 0.085 20 0 BCADHN C[C@H](O)CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000192520857 386788872 /nfs/dbraw/zinc/78/88/72/386788872.db2.gz CGOGWJGIUYIQQZ-LPEHRKFASA-N 0 3 241.335 0.292 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@H](C)O)N1CCCCC1 ZINC000330615603 386819436 /nfs/dbraw/zinc/81/94/36/386819436.db2.gz URUMLPYYVLVKCM-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN CN(CC(F)(F)F)C1CCN(CCO)CC1 ZINC000357653992 386821822 /nfs/dbraw/zinc/82/18/22/386821822.db2.gz YRMISNMGLKLUDM-UHFFFAOYSA-N 0 3 240.269 0.937 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NC[C@@H]1CCCCO1 ZINC000336672442 386823303 /nfs/dbraw/zinc/82/33/03/386823303.db2.gz SQTFWXQQOQMNHO-YUMQZZPRSA-N 0 3 236.262 0.654 20 0 BCADHN CC(C)[C@](C)(CO)NCC(=O)NCC1CCC1 ZINC000352877095 386823463 /nfs/dbraw/zinc/82/34/63/386823463.db2.gz AGEJMPQROPYQKG-ZDUSSCGKSA-N 0 3 242.363 0.899 20 0 BCADHN COCCNCCNC(=O)NCC1(C)CCC1 ZINC000417844230 386799734 /nfs/dbraw/zinc/79/97/34/386799734.db2.gz RIXSYGONZHATKE-UHFFFAOYSA-N 0 3 243.351 0.712 20 0 BCADHN CCCC[C@H](N)C(=O)N1CCNC(C)(C)C1 ZINC000417840715 386800428 /nfs/dbraw/zinc/80/04/28/386800428.db2.gz SCGZSXFBTAFXHK-JTQLQIEISA-N 0 3 227.352 0.714 20 0 BCADHN CC(C)C(=O)NCCN(C)CC1(O)CCCC1 ZINC000330587477 386802597 /nfs/dbraw/zinc/80/25/97/386802597.db2.gz VNVUZLLEQZMEJF-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](CN[C@@H]1CCCS(=O)(=O)C1)OC ZINC000336670444 386802900 /nfs/dbraw/zinc/80/29/00/386802900.db2.gz FRXIEHQOWMKINJ-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN COCc1nocc1C(=O)NCCN(C)C ZINC000340955845 386804609 /nfs/dbraw/zinc/80/46/09/386804609.db2.gz UATIREOOQFEHAA-UHFFFAOYSA-N 0 3 227.264 0.112 20 0 BCADHN CCOCCNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000340958780 386809025 /nfs/dbraw/zinc/80/90/25/386809025.db2.gz UNRFKAXKGTZGAV-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H](O)CN(C)C1(C(N)=O)CCCC1 ZINC000193000195 386809094 /nfs/dbraw/zinc/80/90/94/386809094.db2.gz STULMXSFBOAMMM-QMMMGPOBSA-N 0 3 200.282 0.097 20 0 BCADHN Cc1nnc(CN(C)C[C@H]2CCCN2C)o1 ZINC000357598157 386812099 /nfs/dbraw/zinc/81/20/99/386812099.db2.gz YHUGJAWTYQUABB-SNVBAGLBSA-N 0 3 224.308 0.904 20 0 BCADHN CN1CCC[C@@H](N2CCC[C@@](C)(O)CC2)C1=O ZINC000526076809 386812477 /nfs/dbraw/zinc/81/24/77/386812477.db2.gz WVMBBOGJCSWNCR-DGCLKSJQSA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)COC[C@H](O)CN1CC[C@H](C)[C@@H](O)C1 ZINC000330657942 386814401 /nfs/dbraw/zinc/81/44/01/386814401.db2.gz ORYWSOSHIBZCOM-XQQFMLRXSA-N 0 3 245.363 0.723 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CCCCO2)C[C@H]1O ZINC000395399009 386827284 /nfs/dbraw/zinc/82/72/84/386827284.db2.gz ZTHZPGOAVIDRDH-GMTAPVOTSA-N 0 3 215.293 0.247 20 0 BCADHN Cc1nocc1CNC[C@]1(O)CCO[C@H]1C ZINC000293359481 386827235 /nfs/dbraw/zinc/82/72/35/386827235.db2.gz UMKPXIXGZIGLGA-GXSJLCMTSA-N 0 3 226.276 0.613 20 0 BCADHN Cc1cc(C(=O)N[C@@H](C)CN(C)C)nc(C)n1 ZINC000330681746 386827342 /nfs/dbraw/zinc/82/73/42/386827342.db2.gz PEEIFVLVHOYQEX-VIFPVBQESA-N 0 3 236.319 0.773 20 0 BCADHN CC[C@H](CO)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000330685311 386830716 /nfs/dbraw/zinc/83/07/16/386830716.db2.gz LFMYFHLVVKENLC-GARJFASQSA-N 0 3 228.336 0.746 20 0 BCADHN CC[C@H](O)CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000330677081 386853973 /nfs/dbraw/zinc/85/39/73/386853973.db2.gz UTKAKHRUFITYES-DCAQKATOSA-N 0 3 228.336 0.746 20 0 BCADHN Cc1cc(C(=O)N[C@@H](C)CN(C)C)on1 ZINC000330692733 386833113 /nfs/dbraw/zinc/83/31/13/386833113.db2.gz ZUQQHWACRSYNLZ-QMMMGPOBSA-N 0 3 211.265 0.663 20 0 BCADHN CC[C@@H](C(=O)N[C@H](CO)COC)N(CC)CC ZINC000357717502 386833918 /nfs/dbraw/zinc/83/39/18/386833918.db2.gz RIZWFURUZPCIJL-MNOVXSKESA-N 0 3 246.351 0.230 20 0 BCADHN CNC(=O)C1CN(C[C@H]2CCSC2)C1 ZINC000334780502 386835360 /nfs/dbraw/zinc/83/53/60/386835360.db2.gz MQBQSLWAJJQMCY-MRVPVSSYSA-N 0 3 214.334 0.417 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCC(COC)CC1 ZINC000637981596 386835711 /nfs/dbraw/zinc/83/57/11/386835711.db2.gz VBIWQZOISFUXNJ-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CS[C@@H]1CC[C@@H]1NCC(=O)NCC1CC1 ZINC000425339732 386839186 /nfs/dbraw/zinc/83/91/86/386839186.db2.gz CWMXCMQQRSPOIU-VHSXEESVSA-N 0 3 228.361 0.996 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@H]1CSC[C@@H]1C ZINC000357743598 386839442 /nfs/dbraw/zinc/83/94/42/386839442.db2.gz TTZVPUQUAOSWKO-AEJSXWLSSA-N 0 3 245.392 0.987 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](C)NC2CC2)CCO1 ZINC000395077899 386847847 /nfs/dbraw/zinc/84/78/47/386847847.db2.gz PAABRNVKVFWXDP-GXSJLCMTSA-N 0 3 226.320 0.764 20 0 BCADHN N[C@H](CC(F)F)C(=O)NCC(F)(F)F ZINC000336674851 386849504 /nfs/dbraw/zinc/84/95/04/386849504.db2.gz BUDWKIJSILBVDN-GSVOUGTGSA-N 0 3 220.141 0.647 20 0 BCADHN CNC(=O)NC(=O)CCN1C[C@@H]2C[C@H]1CS2 ZINC000334787428 386849501 /nfs/dbraw/zinc/84/95/01/386849501.db2.gz QWYNMBOAFIJXDV-YUMQZZPRSA-N 0 3 243.332 0.022 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CC[C@@H]1SC ZINC000425336408 386851020 /nfs/dbraw/zinc/85/10/20/386851020.db2.gz KWBDXLGCSGOOSD-BDAKNGLRSA-N 0 3 216.350 0.948 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CO ZINC000349525301 386852884 /nfs/dbraw/zinc/85/28/84/386852884.db2.gz NUOIAFKCNYWGBY-NEPJUHHUSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@H](C(=O)N(CC)C[C@@H](C)O)N(C)C ZINC000341369850 386895297 /nfs/dbraw/zinc/89/52/97/386895297.db2.gz MAUVGRSGGMJAAS-ZJUUUORDSA-N 0 3 216.325 0.556 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H](O)C1CCCCC1 ZINC000330672263 386854852 /nfs/dbraw/zinc/85/48/52/386854852.db2.gz GCQQCLZLTNGJBS-CMPLNLGQSA-N 0 3 242.363 0.994 20 0 BCADHN CC(=O)CCCC(=O)NC[C@@H](C)N(C)C ZINC000357862180 386855308 /nfs/dbraw/zinc/85/53/08/386855308.db2.gz KCHZOZTXQAHSQM-SECBINFHSA-N 0 3 214.309 0.812 20 0 BCADHN O=C(CC1CC1)N[C@@H](CO)CN1CCCCC1 ZINC000331450153 386857024 /nfs/dbraw/zinc/85/70/24/386857024.db2.gz CWBDRTAVNUYEPU-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN CO[C@@H](C(=O)N1CCC[C@@H](N(C)C)C1)C1CC1 ZINC000349510548 386857215 /nfs/dbraw/zinc/85/72/15/386857215.db2.gz SOUSDFFVNMPIHR-VXGBXAGGSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H](O)C(=O)NC1CCN(C2CC2)CC1 ZINC000331494911 386861569 /nfs/dbraw/zinc/86/15/69/386861569.db2.gz PDOBGZRQRQJRTD-QMMMGPOBSA-N 0 3 212.293 0.110 20 0 BCADHN Cc1cnc(CNCCC2CC(O)C2)n1C ZINC000336744780 386864175 /nfs/dbraw/zinc/86/41/75/386864175.db2.gz VHASUVKXRSUIQV-UHFFFAOYSA-N 0 3 223.320 0.979 20 0 BCADHN CN(C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000335744911 386865158 /nfs/dbraw/zinc/86/51/58/386865158.db2.gz XYWGYSBUVNXRFT-JTQLQIEISA-N 0 3 231.365 0.695 20 0 BCADHN CC[C@H](C(=O)N1CCOCC1(C)C)N(C)C ZINC000334830320 386867190 /nfs/dbraw/zinc/86/71/90/386867190.db2.gz WWPXNLUXDUGUNR-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN CO[C@@H](C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357940798 386869195 /nfs/dbraw/zinc/86/91/95/386869195.db2.gz AHJYODPMOQTANI-UWVGGRQHSA-N 0 3 226.320 0.788 20 0 BCADHN CCN1CCCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000335746677 386869919 /nfs/dbraw/zinc/86/99/19/386869919.db2.gz BCMAZOAMYOTUEV-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN Cc1noc(CCCN(C)C2CC(O)C2)n1 ZINC000331558995 386870276 /nfs/dbraw/zinc/87/02/76/386870276.db2.gz IVYAOKFIQIPULY-UHFFFAOYSA-N 0 3 225.292 0.766 20 0 BCADHN CCCCNC(=O)[C@H](C)N1CC[C@H](CO)C1 ZINC000051887987 386871927 /nfs/dbraw/zinc/87/19/27/386871927.db2.gz WZPCOFVGTVSHFS-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000052009452 386872145 /nfs/dbraw/zinc/87/21/45/386872145.db2.gz GGMBWDRBPKSMOF-NHCYSSNCSA-N 0 3 228.336 0.924 20 0 BCADHN C[C@H]1[C@@H](NCc2cn(C)nn2)CCCN1C ZINC000336739203 386873963 /nfs/dbraw/zinc/87/39/63/386873963.db2.gz LAFPKBUFNPBGAW-ONGXEEELSA-N 0 3 223.324 0.387 20 0 BCADHN C[C@H](NCCCc1cnn(C)n1)c1ccnn1C ZINC000293760472 386874326 /nfs/dbraw/zinc/87/43/26/386874326.db2.gz RFAMWBWYQPBQLT-JTQLQIEISA-N 0 3 248.334 0.832 20 0 BCADHN Cn1nccc1CNCC1([S@](C)=O)CC1 ZINC000336739167 386875190 /nfs/dbraw/zinc/87/51/90/386875190.db2.gz SDKVTMSOSIHRDI-HNNXBMFYSA-N 0 3 227.333 0.421 20 0 BCADHN CC[C@@H](CNC(=O)NC[C@@H]1CCCN1C)OC ZINC000358006269 386879385 /nfs/dbraw/zinc/87/93/85/386879385.db2.gz SBMFYAJKMSNLCX-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN CCNC(=O)CN1C[C@@H](C)[C@](C)(C(=O)OC)C1 ZINC000367099536 386894786 /nfs/dbraw/zinc/89/47/86/386894786.db2.gz LGVGJERTBOSVKG-BXKDBHETSA-N 0 3 242.319 0.254 20 0 BCADHN CC[C@H](Cn1cncn1)NC[C@@H](O)C(F)F ZINC000336739416 386881397 /nfs/dbraw/zinc/88/13/97/386881397.db2.gz PCFDUFBKXBZBAQ-HTQZYQBOSA-N 0 3 234.250 0.272 20 0 BCADHN CC/C=C\CCN1CC[C@H](S(N)(=O)=O)C1 ZINC000341324266 386881792 /nfs/dbraw/zinc/88/17/92/386881792.db2.gz WDXCGTNUGLGMRM-XOULXFPDSA-N 0 3 232.349 0.706 20 0 BCADHN CO[C@H]1CCN([C@@H](C)C(=O)N(C)C)C1 ZINC000335755786 386882165 /nfs/dbraw/zinc/88/21/65/386882165.db2.gz YOAVFSPRSLVTKQ-IUCAKERBSA-N 0 3 200.282 0.184 20 0 BCADHN c1cn(C2CCN(CCn3cncn3)CC2)cn1 ZINC000331697763 386883491 /nfs/dbraw/zinc/88/34/91/386883491.db2.gz ZKBDDIBKSDDDBC-UHFFFAOYSA-N 0 3 246.318 0.812 20 0 BCADHN C[C@@H](C(=O)NC[C@@]1(O)CCN(C)C1)C1CC1 ZINC000358059519 386886152 /nfs/dbraw/zinc/88/61/52/386886152.db2.gz DMHGIHQNHAYSNO-SKDRFNHKSA-N 0 3 226.320 0.215 20 0 BCADHN CSC[C@H](C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358061559 386886338 /nfs/dbraw/zinc/88/63/38/386886338.db2.gz GTCOPRNBIQCUJD-ONGXEEELSA-N 0 3 246.376 0.168 20 0 BCADHN COC[C@@H]1CCN1C(=O)/C=C/CN(C)C ZINC000293829784 386887299 /nfs/dbraw/zinc/88/72/99/386887299.db2.gz FZQALGSFQBFXRW-YEZKRMTDSA-N 0 3 212.293 0.352 20 0 BCADHN c1cn(CCN2CCC[C@H](c3nnc[nH]3)C2)cn1 ZINC000331738915 386888277 /nfs/dbraw/zinc/88/82/77/386888277.db2.gz DMEIXSGHCDRFHW-NSHDSACASA-N 0 3 246.318 0.881 20 0 BCADHN CC(C)[C@](C)(O)C(=O)N(C)C1CCN(C)CC1 ZINC000334842934 386888911 /nfs/dbraw/zinc/88/89/11/386888911.db2.gz FGRRDQIIXXJQDL-ZDUSSCGKSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C(=O)NC1(C(F)F)CC1)S(C)(=O)=O ZINC000331746114 386890249 /nfs/dbraw/zinc/89/02/49/386890249.db2.gz IDKALQXVZUQHMV-YFKPBYRVSA-N 0 3 241.259 0.333 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H](F)CN2)CCCO1 ZINC000188514233 386914194 /nfs/dbraw/zinc/91/41/94/386914194.db2.gz GLAMQWGIMSAORH-KXUCPTDWSA-N 0 3 230.283 0.324 20 0 BCADHN C[C@@H](O)CCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000331827645 386915024 /nfs/dbraw/zinc/91/50/24/386915024.db2.gz ZLZQTRNQGGEFQL-KOLCDFICSA-N 0 3 226.320 0.500 20 0 BCADHN COC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)OC ZINC000358227802 386915944 /nfs/dbraw/zinc/91/59/44/386915944.db2.gz ILPMDNZCSICSIH-WDEREUQCSA-N 0 3 246.351 0.350 20 0 BCADHN CC(C)[C@@H](O)CN1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000367924174 386918193 /nfs/dbraw/zinc/91/81/93/386918193.db2.gz BPEUKRBSLYKYPU-AGIUHOORSA-N 0 3 243.347 0.883 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@@H]1CCC(=O)N(C)C1=O ZINC000425355516 386918329 /nfs/dbraw/zinc/91/83/29/386918329.db2.gz MFTBAWKSBHYRJM-DJLDLDEBSA-N 0 3 242.344 0.617 20 0 BCADHN CN(CCC1CCOCC1)CC(=O)N1CCC1 ZINC000341563415 386919245 /nfs/dbraw/zinc/91/92/45/386919245.db2.gz KNRVQOONTFGDEC-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN Cc1[nH]ncc1CN1CCn2cnnc2[C@@H]1C ZINC000331871354 386919527 /nfs/dbraw/zinc/91/95/27/386919527.db2.gz SSEMTJVPPUCISM-VIFPVBQESA-N 0 3 232.291 0.886 20 0 BCADHN COC(C)(C)C(=O)NCCNc1ccncc1 ZINC000341377151 386898007 /nfs/dbraw/zinc/89/80/07/386898007.db2.gz PYBHSMVALBAPIY-UHFFFAOYSA-N 0 3 237.303 0.457 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C[C@](C)(O)C1CC1 ZINC000331766183 386898132 /nfs/dbraw/zinc/89/81/32/386898132.db2.gz OYLAVIGDCMPIDA-CABZTGNLSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)N2CCN3CCC2CC3)CO1 ZINC000335760693 386898622 /nfs/dbraw/zinc/89/86/22/386898622.db2.gz BOEJPYVKMCDENF-GHMZBOCLSA-N 0 3 238.331 0.718 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@H]1CCCN1C1CC1 ZINC000331773086 386900015 /nfs/dbraw/zinc/90/00/15/386900015.db2.gz NQJOJFMXJZRJMF-NWDGAFQWSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@@]1(C(N)=O)CCN(CC(=O)N2CCC2)C1 ZINC000331781028 386902288 /nfs/dbraw/zinc/90/22/88/386902288.db2.gz NTCIRTLRKNVZKG-LLVKDONJSA-N 0 3 225.292 0.466 20 0 BCADHN C[C@@H](O)CCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331777362 386902303 /nfs/dbraw/zinc/90/23/03/386902303.db2.gz ORKZQKUMLVRIMG-NXEZZACHSA-N 0 3 241.335 0.293 20 0 BCADHN Cc1noc(C)c1CNC[C@@]1(O)CCN(C)C1 ZINC000358160245 386902898 /nfs/dbraw/zinc/90/28/98/386902898.db2.gz KDIPPEVYCTUIDO-LBPRGKRZSA-N 0 3 239.319 0.448 20 0 BCADHN C[C@H](O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000331790880 386906408 /nfs/dbraw/zinc/90/64/08/386906408.db2.gz SINNYWZWSJZZAD-HRDYMLBCSA-N 0 3 212.293 0.109 20 0 BCADHN C[C@H](O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000331790879 386906848 /nfs/dbraw/zinc/90/68/48/386906848.db2.gz SINNYWZWSJZZAD-CIUDSAMLSA-N 0 3 212.293 0.109 20 0 BCADHN COC[C@@H](CNC(=O)CN(C)C(C)C)OC ZINC000358230357 386907144 /nfs/dbraw/zinc/90/71/44/386907144.db2.gz NLLFTUXRRMREIP-SNVBAGLBSA-N 0 3 232.324 0.104 20 0 BCADHN CC[C@@H](C)NC(=O)N[C@H]1CCN(CCOC)C1 ZINC000341454353 386908390 /nfs/dbraw/zinc/90/83/90/386908390.db2.gz MRRZGSKLLIWXIL-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@H](Cn1nnn(-c2ccccc2)c1=O)N(C)C ZINC000330883531 386909048 /nfs/dbraw/zinc/90/90/48/386909048.db2.gz PCFBISBVKJSTNQ-JTQLQIEISA-N 0 3 247.302 0.379 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000358198971 386911216 /nfs/dbraw/zinc/91/12/16/386911216.db2.gz ZVBPDBFXLWVYJP-DTWKUNHWSA-N 0 3 241.335 0.239 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000358198973 386911664 /nfs/dbraw/zinc/91/16/64/386911664.db2.gz ZVBPDBFXLWVYJP-RKDXNWHRSA-N 0 3 241.335 0.239 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](O)C1CC1)N(C)C ZINC000331816280 386912573 /nfs/dbraw/zinc/91/25/73/386912573.db2.gz WUUPGYJXJFSNHL-VHSXEESVSA-N 0 3 214.309 0.214 20 0 BCADHN Cn1ncc(CN2CC[C@@H](N3CCCC3)C2)n1 ZINC000368134510 386946602 /nfs/dbraw/zinc/94/66/02/386946602.db2.gz YGVFWVOZYZNGGL-GFCCVEGCSA-N 0 3 235.335 0.485 20 0 BCADHN CN(C)CCNC(=O)C(C)(C)c1c[nH]cn1 ZINC000330949626 386927991 /nfs/dbraw/zinc/92/79/91/386927991.db2.gz JBOVHNRQSZRPGP-UHFFFAOYSA-N 0 3 224.308 0.365 20 0 BCADHN Cc1noc([C@@H]2CCN([C@H]3CCOC3)C2)n1 ZINC000329198217 386928235 /nfs/dbraw/zinc/92/82/35/386928235.db2.gz UPAJCUMVUGIPBR-ZJUUUORDSA-N 0 3 223.276 0.956 20 0 BCADHN Cc1nc(CNC(=O)[C@H](C)N)c2n1CCCC2 ZINC000368015649 386929708 /nfs/dbraw/zinc/92/97/08/386929708.db2.gz ASCHOUKYKARLFO-QMMMGPOBSA-N 0 3 236.319 0.491 20 0 BCADHN COc1nccc(CNCCN(C)C(C)C)n1 ZINC000395111811 386930271 /nfs/dbraw/zinc/93/02/71/386930271.db2.gz COCNCSUFWRTPHQ-UHFFFAOYSA-N 0 3 238.335 0.915 20 0 BCADHN C[C@@H](CNC(=O)[C@](C)(O)C1CC1)N(C)C1CC1 ZINC000341604017 386931857 /nfs/dbraw/zinc/93/18/57/386931857.db2.gz YSNGBGPGOHEXRK-TVQRCGJNSA-N 0 3 240.347 0.746 20 0 BCADHN Cc1c(CN2CC[C@@H]3C(=O)NC[C@H]3C2)cnn1C ZINC000368064585 386937152 /nfs/dbraw/zinc/93/71/52/386937152.db2.gz QEOBEYZHAMFMHR-RYUDHWBXSA-N 0 3 248.330 0.296 20 0 BCADHN C[C@@H](NC(=O)N1CCCNCC1)C(F)(F)F ZINC000334876738 386937588 /nfs/dbraw/zinc/93/75/88/386937588.db2.gz YBKCOCKOOPKXPR-SSDOTTSWSA-N 0 3 239.241 0.942 20 0 BCADHN CO[C@H](CN[C@@H]1CCCS(=O)(=O)C1)C(C)C ZINC000336762811 386940104 /nfs/dbraw/zinc/94/01/04/386940104.db2.gz LSWZJFSABDTNNM-GHMZBOCLSA-N 0 3 249.376 0.824 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N1CCSCC1 ZINC000334816327 386942626 /nfs/dbraw/zinc/94/26/26/386942626.db2.gz GVOFQKMFUCPZNN-JTQLQIEISA-N 0 3 243.376 0.839 20 0 BCADHN Cc1ccnc(C(=O)NCCN(C)C)n1 ZINC000330998926 386943194 /nfs/dbraw/zinc/94/31/94/386943194.db2.gz VZLWJLGXYRGDKW-UHFFFAOYSA-N 0 3 208.265 0.076 20 0 BCADHN Cn1ncc(CN2CCCN(C3CC3)CC2)n1 ZINC000368121880 386943669 /nfs/dbraw/zinc/94/36/69/386943669.db2.gz FUCHYSPECAOQIO-UHFFFAOYSA-N 0 3 235.335 0.485 20 0 BCADHN C[C@@]1(F)CCN(CCC(=O)N2CCOCC2)C1 ZINC000334818152 386945675 /nfs/dbraw/zinc/94/56/75/386945675.db2.gz FWUIRZZGIJTEQY-GFCCVEGCSA-N 0 3 244.310 0.669 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NC[C@H]1CC[C@@H](CO)O1 ZINC000645471448 386952417 /nfs/dbraw/zinc/95/24/17/386952417.db2.gz RAZZREHKELQJCO-IEBDPFPHSA-N 0 3 239.319 0.909 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@H]1CCCN(C)C1=O ZINC000336763312 386956343 /nfs/dbraw/zinc/95/63/43/386956343.db2.gz OZVVVQHPIRJWDQ-GUBZILKMSA-N 0 3 212.293 0.374 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H]1C=C[C@@H](CO)C1)N(C)C ZINC000341734589 386957690 /nfs/dbraw/zinc/95/76/90/386957690.db2.gz XBWACRIWUKMSEB-IJLUTSLNSA-N 0 3 240.347 0.626 20 0 BCADHN CN(C)CCNC(=O)[C@@](C)(N)c1ccccc1 ZINC000052880975 386961460 /nfs/dbraw/zinc/96/14/60/386961460.db2.gz QJGULEUMTBGSQB-ZDUSSCGKSA-N 0 3 235.331 0.538 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000332165908 386962949 /nfs/dbraw/zinc/96/29/49/386962949.db2.gz SACRFBHMKPXQFB-RGOKHQFPSA-N 0 3 212.293 0.001 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398713844 386963391 /nfs/dbraw/zinc/96/33/91/386963391.db2.gz POSUYYBZGDPIBK-KXNHARMFSA-N 0 3 240.347 0.556 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000332165907 386963582 /nfs/dbraw/zinc/96/35/82/386963582.db2.gz SACRFBHMKPXQFB-QEYWKRMJSA-N 0 3 212.293 0.001 20 0 BCADHN CC(C)[C@H](C)NC(=O)N1CCOC2(CNC2)C1 ZINC000334890163 386964404 /nfs/dbraw/zinc/96/44/04/386964404.db2.gz LQRCTHKTYUTVPA-JTQLQIEISA-N 0 3 241.335 0.415 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@](C)(O)C1 ZINC000334930418 387007522 /nfs/dbraw/zinc/00/75/22/387007522.db2.gz WBOMQHYMRRPBCX-JQWIXIFHSA-N 0 3 243.351 0.493 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)N[C@H](C)CN(C)C ZINC000358496325 386965883 /nfs/dbraw/zinc/96/58/83/386965883.db2.gz ISSOMMGBUWAYAH-HBNTYKKESA-N 0 3 245.367 0.643 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC1(CO)CCCC1 ZINC000358500521 386966217 /nfs/dbraw/zinc/96/62/17/386966217.db2.gz MVMAYBRHYSPHAK-JTQLQIEISA-N 0 3 243.351 0.541 20 0 BCADHN CN1CCC[C@@H](N2CC[C@@H](O)C(C)(C)C2)C1=O ZINC000526087927 386966407 /nfs/dbraw/zinc/96/64/07/386966407.db2.gz URYKBRAYXQEXLD-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)CC[C@@H](O)CN1C[C@@H](O)C[C@H]1CO ZINC000331112773 386966439 /nfs/dbraw/zinc/96/64/39/386966439.db2.gz KCSVKYJTAKOXEL-TUAOUCFPSA-N 0 3 231.336 0.211 20 0 BCADHN CO[C@H](C)CN(C(=O)[C@H](CN)OC)C(C)C ZINC000352915392 386966467 /nfs/dbraw/zinc/96/64/67/386966467.db2.gz OQWRKVFAILRXTE-ZJUUUORDSA-N 0 3 232.324 0.232 20 0 BCADHN CCC[C@H](O)CNC(=O)N[C@@H](C)CN(C)C ZINC000358501038 386966882 /nfs/dbraw/zinc/96/68/82/386966882.db2.gz NGJDTPZVPDXDOZ-UWVGGRQHSA-N 0 3 231.340 0.397 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000352916309 386966895 /nfs/dbraw/zinc/96/68/95/386966895.db2.gz QNFSPHVDWIWUSM-OUAUKWLOSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CCC[C@@H]1CO ZINC000358503495 386967908 /nfs/dbraw/zinc/96/79/08/386967908.db2.gz QKCPTEMRPUXSQX-NXEZZACHSA-N 0 3 229.324 0.103 20 0 BCADHN CO[C@H](C)CN(C)C(=O)N[C@@H](C)CN(C)C ZINC000358502794 386967947 /nfs/dbraw/zinc/96/79/47/386967947.db2.gz PNFKYAXCEBACJC-VHSXEESVSA-N 0 3 231.340 0.613 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@H]1CO ZINC000358503497 386968096 /nfs/dbraw/zinc/96/80/96/386968096.db2.gz QKCPTEMRPUXSQX-UWVGGRQHSA-N 0 3 229.324 0.103 20 0 BCADHN CC(C)[C@H](O)CN1CCCC[C@@H]1C(=N)NO ZINC000368390945 386968386 /nfs/dbraw/zinc/96/83/86/386968386.db2.gz CGIYDQWGWDHWFW-NXEZZACHSA-N 0 3 229.324 0.814 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC000358512074 386968402 /nfs/dbraw/zinc/96/84/02/386968402.db2.gz YCJVLCSPLAIPGW-GMTAPVOTSA-N 0 3 243.351 0.349 20 0 BCADHN CC(C)NC(=O)CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398723202 386968423 /nfs/dbraw/zinc/96/84/23/386968423.db2.gz SPUUTAXIARKJDH-TUAOUCFPSA-N 0 3 240.347 0.604 20 0 BCADHN COC[C@H](C)N(C)C(=O)N[C@H](C)CN(C)C ZINC000358509860 386968602 /nfs/dbraw/zinc/96/86/02/386968602.db2.gz WMBGFZYIJKSCIE-ZJUUUORDSA-N 0 3 231.340 0.613 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(C)[C@@H]1CCCOC1 ZINC000358503373 386968758 /nfs/dbraw/zinc/96/87/58/386968758.db2.gz QEQLBEMEGJIQKT-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN COC[C@H](C)N(C)C(=O)N[C@@H](C)CN(C)C ZINC000358509857 386969072 /nfs/dbraw/zinc/96/90/72/386969072.db2.gz WMBGFZYIJKSCIE-UWVGGRQHSA-N 0 3 231.340 0.613 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000358502691 386969497 /nfs/dbraw/zinc/96/94/97/386969497.db2.gz PHNHEYFAJKVGTG-OUAUKWLOSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000358516034 386970452 /nfs/dbraw/zinc/97/04/52/386970452.db2.gz BAPGVTBVMPNRIK-GMTAPVOTSA-N 0 3 243.351 0.755 20 0 BCADHN C[C@@H](O)CCNC(=O)N[C@@H](C)CN(C)C ZINC000358518189 386970665 /nfs/dbraw/zinc/97/06/65/386970665.db2.gz DCCHIEQBYLEDOC-DTWKUNHWSA-N 0 3 217.313 0.007 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(C)CC(C)(C)O ZINC000358521864 386971584 /nfs/dbraw/zinc/97/15/84/386971584.db2.gz PQOISWAEQRWMGK-SECBINFHSA-N 0 3 231.340 0.349 20 0 BCADHN c1nc([C@@H]2CCCN(Cc3ncccn3)C2)n[nH]1 ZINC000332349334 386972426 /nfs/dbraw/zinc/97/24/26/386972426.db2.gz SHJMELCZQPBINF-SNVBAGLBSA-N 0 3 244.302 0.974 20 0 BCADHN CSCCN(C)C(=O)N[C@H](C)CN(C)C ZINC000358530547 386972749 /nfs/dbraw/zinc/97/27/49/386972749.db2.gz RJNKKTQXTAGXRX-SECBINFHSA-N 0 3 233.381 0.941 20 0 BCADHN C/C=C\C[C@H](CO)NC(=O)N[C@H](C)CN(C)C ZINC000358532333 386973048 /nfs/dbraw/zinc/97/30/48/386973048.db2.gz SUMCIPAOYAOBAI-ADRPCIBZSA-N 0 3 243.351 0.563 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCCCCO ZINC000358525351 386973220 /nfs/dbraw/zinc/97/32/20/386973220.db2.gz NWGXTALQKGJHKZ-SECBINFHSA-N 0 3 217.313 0.008 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(C)[C@@H]1CCOC1 ZINC000358523607 386973395 /nfs/dbraw/zinc/97/33/95/386973395.db2.gz LYGQXWLHFMSZPL-NXEZZACHSA-N 0 3 229.324 0.367 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@H](O)CC1CCCC1 ZINC000514600097 387007870 /nfs/dbraw/zinc/00/78/70/387007870.db2.gz LCSJIFYYGOUPSX-JHJVBQTASA-N 0 3 243.347 0.931 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCC1(O)CCC1 ZINC000358529795 386974371 /nfs/dbraw/zinc/97/43/71/386974371.db2.gz RDJLHIZUFQFTFK-SECBINFHSA-N 0 3 229.324 0.151 20 0 BCADHN COC[C@@H](C)[N@@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000332377087 386974377 /nfs/dbraw/zinc/97/43/77/386974377.db2.gz FEAQSXHOVNMDOJ-BDAKNGLRSA-N 0 3 210.281 0.629 20 0 BCADHN COC[C@@H](C)[N@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000332377087 386974379 /nfs/dbraw/zinc/97/43/79/386974379.db2.gz FEAQSXHOVNMDOJ-BDAKNGLRSA-N 0 3 210.281 0.629 20 0 BCADHN CC[C@]1(C)CCCN(C(=O)[C@H](CN)OC)C1 ZINC000352945480 386974665 /nfs/dbraw/zinc/97/46/65/386974665.db2.gz OXYDTJILTMLXGC-CMPLNLGQSA-N 0 3 228.336 0.999 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000352947996 386974772 /nfs/dbraw/zinc/97/47/72/386974772.db2.gz RRVXABFEQMVWLI-SCVCMEIPSA-N 0 3 244.335 0.018 20 0 BCADHN C[C@H](O)CCN(C)C(=O)N[C@@H](C)CN(C)C ZINC000358536854 386975901 /nfs/dbraw/zinc/97/59/01/386975901.db2.gz YVCNIKBYCLTOAH-UWVGGRQHSA-N 0 3 231.340 0.349 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(C)CC[C@H](C)O ZINC000358536875 386976449 /nfs/dbraw/zinc/97/64/49/386976449.db2.gz YVCNIKBYCLTOAH-ZJUUUORDSA-N 0 3 231.340 0.349 20 0 BCADHN COC[C@H](O)CN1CC[C@H](c2nc(C)no2)C1 ZINC000332401763 386976677 /nfs/dbraw/zinc/97/66/77/386976677.db2.gz VTJDODOCMVZCKI-VHSXEESVSA-N 0 3 241.291 0.175 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)c3cc(F)c[nH]3)C[C@@H]21 ZINC000334901910 386976777 /nfs/dbraw/zinc/97/67/77/386976777.db2.gz YLLLXHAWYPEZBX-KCJUWKMLSA-N 0 3 237.278 0.930 20 0 BCADHN CC(C)COC[C@H](O)CN(C)C1(CO)CC1 ZINC000353023827 386978570 /nfs/dbraw/zinc/97/85/70/386978570.db2.gz GGKLCAPHOCQACS-LLVKDONJSA-N 0 3 231.336 0.477 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@H](Cc2ccncc2)C1 ZINC000368486159 386978719 /nfs/dbraw/zinc/97/87/19/386978719.db2.gz LWXJSHCEUJKXKE-OLZOCXBDSA-N 0 3 245.326 0.835 20 0 BCADHN CC(=O)CCN1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000368506837 386981732 /nfs/dbraw/zinc/98/17/32/386981732.db2.gz FVTJOJWMEFYTBS-WCQYABFASA-N 0 3 240.347 0.761 20 0 BCADHN CC(=O)CCN1C[C@H](N2CCOCC2)C[C@H]1C ZINC000368506836 386982637 /nfs/dbraw/zinc/98/26/37/386982637.db2.gz FVTJOJWMEFYTBS-DGCLKSJQSA-N 0 3 240.347 0.761 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H](O)C1 ZINC000334931022 387008109 /nfs/dbraw/zinc/00/81/09/387008109.db2.gz OKBYWLACWYSKMO-VHSXEESVSA-N 0 3 229.324 0.103 20 0 BCADHN CN(C)C(=O)CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398744789 386983307 /nfs/dbraw/zinc/98/33/07/386983307.db2.gz RMRRCMHXBYJWTK-AXFHLTTASA-N 0 3 226.320 0.167 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)CC(C)(C)O)N(C)C ZINC000332476496 386983574 /nfs/dbraw/zinc/98/35/74/386983574.db2.gz AKHWTURGMNOKRP-UWVGGRQHSA-N 0 3 230.352 0.992 20 0 BCADHN CC[C@](C)(O)CN(C)CCNC(=O)N(C)C ZINC000332498930 386985411 /nfs/dbraw/zinc/98/54/11/386985411.db2.gz HWEWNUKILGYDQG-NSHDSACASA-N 0 3 231.340 0.350 20 0 BCADHN CC(F)(F)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000368560507 386986881 /nfs/dbraw/zinc/98/68/81/386986881.db2.gz FKIWFKSHHQKZPL-RKDXNWHRSA-N 0 3 248.273 0.621 20 0 BCADHN CN(C)CCNC(=O)[C@H]1C[C@H]1c1cnn(C)c1 ZINC000368736481 387008306 /nfs/dbraw/zinc/00/83/06/387008306.db2.gz SDOLDQUZWITFNG-QWRGUYRKSA-N 0 3 236.319 0.201 20 0 BCADHN CC(=O)c1ccc(C(=O)NC[C@H]2CCN(C)C2)[nH]1 ZINC000331202430 386988115 /nfs/dbraw/zinc/98/81/15/386988115.db2.gz XLTRZDLEVKZJBN-SNVBAGLBSA-N 0 3 249.314 0.899 20 0 BCADHN CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H](C)O ZINC000332524465 386990882 /nfs/dbraw/zinc/99/08/82/386990882.db2.gz UFZXKHLUASTMNX-NXEZZACHSA-N 0 3 216.325 0.602 20 0 BCADHN CC(C)(C)CCN1CC[C@H](S(N)(=O)=O)C1 ZINC000341910082 386990894 /nfs/dbraw/zinc/99/08/94/386990894.db2.gz QUZSHFTWGNYBKL-VIFPVBQESA-N 0 3 234.365 0.785 20 0 BCADHN CCCCN(C)C[C@H](C)NS(=O)(=O)NC ZINC000341954912 387008458 /nfs/dbraw/zinc/00/84/58/387008458.db2.gz MMDPLDSAKGTSDU-VIFPVBQESA-N 0 3 237.369 0.161 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)[nH]n1 ZINC000368593976 386991847 /nfs/dbraw/zinc/99/18/47/386991847.db2.gz QPUOKBYEDAQYSY-CMPLNLGQSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)n[nH]1 ZINC000368593976 386991850 /nfs/dbraw/zinc/99/18/50/386991850.db2.gz QPUOKBYEDAQYSY-CMPLNLGQSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)[nH]n1 ZINC000368593978 386992456 /nfs/dbraw/zinc/99/24/56/386992456.db2.gz QPUOKBYEDAQYSY-PWSUYJOCSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)n[nH]1 ZINC000368593978 386992459 /nfs/dbraw/zinc/99/24/59/386992459.db2.gz QPUOKBYEDAQYSY-PWSUYJOCSA-N 0 3 248.330 0.884 20 0 BCADHN CCOCC[C@H](O)CN1CCC[C@@H](O)C1 ZINC000331236388 386996535 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387160943 /nfs/dbraw/zinc/16/09/43/387160943.db2.gz AACULAWMJGLRLK-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN CN(C(=O)C[C@@H]1CNCCO1)[C@H]1CCSC1 ZINC000085619161 387161549 /nfs/dbraw/zinc/16/15/49/387161549.db2.gz VFTNKTFNGXZORR-VHSXEESVSA-N 0 3 244.360 0.329 20 0 BCADHN COC[C@@H](C)CNC(=O)C[C@@H]1CSCCN1 ZINC000085614071 387161823 /nfs/dbraw/zinc/16/18/23/387161823.db2.gz SJEITZQGADYBHK-VHSXEESVSA-N 0 3 246.376 0.480 20 0 BCADHN CC(C)(C)NC(=O)C[C@@H]1CNCCO1 ZINC000085618660 387162690 /nfs/dbraw/zinc/16/26/90/387162690.db2.gz BDNVTKWDQCBOON-MRVPVSSYSA-N 0 3 200.282 0.280 20 0 BCADHN COC[C@H](C)CNC(=O)C[C@H]1CSCCN1 ZINC000085614084 387163052 /nfs/dbraw/zinc/16/30/52/387163052.db2.gz SJEITZQGADYBHK-ZJUUUORDSA-N 0 3 246.376 0.480 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000229259702 387163922 /nfs/dbraw/zinc/16/39/22/387163922.db2.gz VFKZPQUKUMFQQQ-DCAQKATOSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H]1CCCN1C(=O)C[C@H]1CNCCO1 ZINC000085619574 387164055 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/nfs/dbraw/zinc/28/80/33/387288033.db2.gz NZMLFFOSOJDAOT-VIFPVBQESA-N 0 3 222.292 0.034 20 0 BCADHN Cc1cnn(C)c1CNCCCOCCO ZINC000285898105 387290536 /nfs/dbraw/zinc/29/05/36/387290536.db2.gz KFJHXJQJXWUCBL-UHFFFAOYSA-N 0 3 227.308 0.217 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)NCC1CC1 ZINC000121075121 387291090 /nfs/dbraw/zinc/29/10/90/387291090.db2.gz PMPCOIYPIYDHBZ-NSHDSACASA-N 0 3 229.324 0.008 20 0 BCADHN CC(C)OCCCN1CC[C@@H](CO)[C@H](O)C1 ZINC000514829605 387291758 /nfs/dbraw/zinc/29/17/58/387291758.db2.gz IJROZIVROUEQAC-NWDGAFQWSA-N 0 3 231.336 0.477 20 0 BCADHN Cc1cnn(C)c1CNCCC(C)(C)O ZINC000285927639 387292211 /nfs/dbraw/zinc/29/22/11/387292211.db2.gz LOEBDLHPVMIUIQ-UHFFFAOYSA-N 0 3 211.309 0.979 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@H]1NCCc2ccccc21 ZINC000423443684 387293648 /nfs/dbraw/zinc/29/36/48/387293648.db2.gz XFUFBOFPLGYHOD-GXFFZTMASA-N 0 3 247.342 0.727 20 0 BCADHN CCN(CC)C(=O)CN(C[C@H](C)O)C(C)C ZINC000078551522 387294952 /nfs/dbraw/zinc/29/49/52/387294952.db2.gz GHKNVCZCKRRCDQ-NSHDSACASA-N 0 3 230.352 0.946 20 0 BCADHN CCN1C[C@H](NC[C@@H](O)CCC(C)C)CC1=O ZINC000514856642 387298218 /nfs/dbraw/zinc/29/82/18/387298218.db2.gz RDZMZMGQSOWEHX-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)=CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000302975868 387300547 /nfs/dbraw/zinc/30/05/47/387300547.db2.gz HIMCKYQDCGTSGJ-RYUDHWBXSA-N 0 3 238.331 0.932 20 0 BCADHN CC[C@H](SC)C(=O)NC[C@@H]1CNCCO1 ZINC000514865479 387301122 /nfs/dbraw/zinc/30/11/22/387301122.db2.gz WODSDYWSMSZSGA-IUCAKERBSA-N 0 3 232.349 0.233 20 0 BCADHN Cc1cc(CCN[C@@H](C)CC(=O)N(C)C)on1 ZINC000353970211 387304310 /nfs/dbraw/zinc/30/43/10/387304310.db2.gz DJUAUIDVVJYKMH-VIFPVBQESA-N 0 3 239.319 0.982 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](C)C(=O)OC)N(C)C ZINC000360544799 387304517 /nfs/dbraw/zinc/30/45/17/387304517.db2.gz RCNIROCEUBNUGD-IUCAKERBSA-N 0 3 230.308 0.252 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCO ZINC000121140355 387304825 /nfs/dbraw/zinc/30/48/25/387304825.db2.gz CAIYRZOVSODIIZ-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)[C@](C)(O)C(=O)N(C)CCN(C)C ZINC000354003311 387309232 /nfs/dbraw/zinc/30/92/32/387309232.db2.gz ZPAWQFHSFYZBGM-NSHDSACASA-N 0 3 216.325 0.413 20 0 BCADHN CO[C@@H]1CCCN(CC(=O)N2CCC2)CC1 ZINC000373285897 387355394 /nfs/dbraw/zinc/35/53/94/387355394.db2.gz DEEICQFRCSGRFP-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN CCC[C@H](C(=O)N1C[C@H](C)[C@@H](CO)C1)N(C)C ZINC000360861015 387355752 /nfs/dbraw/zinc/35/57/52/387355752.db2.gz ZHOVPENMDCMZDF-QJPTWQEYSA-N 0 3 242.363 0.804 20 0 BCADHN CC(=O)N1CC(N[C@H]2CSC[C@H]2C)C1 ZINC000515311385 387358738 /nfs/dbraw/zinc/35/87/38/387358738.db2.gz JIJKIQGLQUNFQN-XCBNKYQSSA-N 0 3 214.334 0.558 20 0 BCADHN CC(=O)N1CC(N[C@@H]2CSC[C@@H]2C)C1 ZINC000515311384 387358817 /nfs/dbraw/zinc/35/88/17/387358817.db2.gz JIJKIQGLQUNFQN-OIBJUYFYSA-N 0 3 214.334 0.558 20 0 BCADHN CS[C@@H](C)CC(=O)N1CCN(C)C[C@H]1CN ZINC000515302187 387361652 /nfs/dbraw/zinc/36/16/52/387361652.db2.gz LRTJDKOURNKXIT-VHSXEESVSA-N 0 3 245.392 0.229 20 0 BCADHN CNCC(=O)NCCC[C@@H]1CCCCO1 ZINC000515298969 387361825 /nfs/dbraw/zinc/36/18/25/387361825.db2.gz CDNKFQULPFHUCA-JTQLQIEISA-N 0 3 214.309 0.671 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NCc1cc(=O)c(O)co1 ZINC000515308450 387362573 /nfs/dbraw/zinc/36/25/73/387362573.db2.gz LWBVHBSVRRALDI-GHMZBOCLSA-N 0 3 239.271 0.594 20 0 BCADHN COC[C@@H](N[C@H]1CNCCC1(F)F)C1CC1 ZINC000423481187 387362808 /nfs/dbraw/zinc/36/28/08/387362808.db2.gz PYHBWNLKVVHDEB-ZJUUUORDSA-N 0 3 234.290 0.998 20 0 BCADHN CC(C)C[C@@H](C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000360926890 387369221 /nfs/dbraw/zinc/36/92/21/387369221.db2.gz XUCGYWAOBMOXJX-YPMHNXCESA-N 0 3 242.363 0.851 20 0 BCADHN CO[C@@]1(C)CCCN([C@@H]2CCNC2=O)CC1 ZINC000336547967 387369446 /nfs/dbraw/zinc/36/94/46/387369446.db2.gz ICZWYZRYZFXAEO-PWSUYJOCSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)CCN(C)[C@@H](C)C(=O)NC(N)=O ZINC000049237474 387378215 /nfs/dbraw/zinc/37/82/15/387378215.db2.gz BIVABLXBWAMALY-QMMMGPOBSA-N 0 3 215.297 0.548 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@]2(CCOC2)C1 ZINC000336558585 387381914 /nfs/dbraw/zinc/38/19/14/387381914.db2.gz CQTAPGNFVXSFHK-JQWIXIFHSA-N 0 3 224.304 0.377 20 0 BCADHN CN1CC=C(CNC(=O)[C@@H]2CCCOC2)CC1 ZINC000336497587 387322144 /nfs/dbraw/zinc/32/21/44/387322144.db2.gz FXLVACBTULLHGE-GFCCVEGCSA-N 0 3 238.331 0.791 20 0 BCADHN COC[C@@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC000336558590 387382479 /nfs/dbraw/zinc/38/24/79/387382479.db2.gz DEGGOIDEWBIBLK-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](NCC(C)(C)OCCO)c1ccnn1C ZINC000287215459 387382531 /nfs/dbraw/zinc/38/25/31/387382531.db2.gz FRGKKLLEXIVIFB-SNVBAGLBSA-N 0 3 241.335 0.858 20 0 BCADHN CC[C@H](OC)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000352573192 387325768 /nfs/dbraw/zinc/32/57/68/387325768.db2.gz RGXVPJRQWJSMHW-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)C[C@@H]1CCOC1 ZINC000354075977 387326249 /nfs/dbraw/zinc/32/62/49/387326249.db2.gz QIGJIADFKHKDKX-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)Cc1ccon1 ZINC000354081852 387326967 /nfs/dbraw/zinc/32/69/67/387326967.db2.gz IAMLHRJPIXWMQA-UHFFFAOYSA-N 0 3 237.303 0.770 20 0 BCADHN Cc1nnc(NC(=O)[C@H](N)C2CCC2)n1C ZINC000515058159 387329084 /nfs/dbraw/zinc/32/90/84/387329084.db2.gz LBJRYXQZBYGYIJ-MRVPVSSYSA-N 0 3 223.280 0.189 20 0 BCADHN CCC[C@H](O)CNCc1c(C)cnn1C ZINC000286403316 387329893 /nfs/dbraw/zinc/32/98/93/387329893.db2.gz HNDDSNUXCMKEST-JTQLQIEISA-N 0 3 211.309 0.979 20 0 BCADHN CC[C@](C)(NC(=O)[C@H](C)NC)C(=O)OC ZINC000514678335 387331679 /nfs/dbraw/zinc/33/16/79/387331679.db2.gz AXSIJODWJOSNQQ-XVKPBYJWSA-N 0 3 216.281 0.052 20 0 BCADHN Cc1cnn(C)c1CN[C@@H](C)CC[S@](C)=O ZINC000286592168 387332710 /nfs/dbraw/zinc/33/27/10/387332710.db2.gz QSCUOYQOQHKYII-QFYYESIMSA-N 0 3 243.376 0.975 20 0 BCADHN CC(C)CNC(=O)CN[C@H](C)[C@@H](C)CO ZINC000164912903 387333072 /nfs/dbraw/zinc/33/30/72/387333072.db2.gz GHPKSRLLXGFYPP-VHSXEESVSA-N 0 3 216.325 0.365 20 0 BCADHN Cc1cnn(C)c1CNC[C@H]1CCC[C@@H]1O ZINC000286688433 387337235 /nfs/dbraw/zinc/33/72/35/387337235.db2.gz VWAZEVBOSUCARB-PWSUYJOCSA-N 0 3 223.320 0.979 20 0 BCADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CC(=O)N(C)C ZINC000249029126 387337403 /nfs/dbraw/zinc/33/74/03/387337403.db2.gz LLKILYMETVTRBO-ILWJIGKKSA-N 0 3 214.309 0.308 20 0 BCADHN Cc1cnn(C)c1CNC(C)(C)[C@H](C)O ZINC000286678104 387337975 /nfs/dbraw/zinc/33/79/75/387337975.db2.gz VIQNNISARNVRED-VIFPVBQESA-N 0 3 211.309 0.978 20 0 BCADHN Cc1noc(CN2CCCN(C)CC2)n1 ZINC000064543397 387338375 /nfs/dbraw/zinc/33/83/75/387338375.db2.gz XRIFRFCQYOKAOX-UHFFFAOYSA-N 0 3 210.281 0.516 20 0 BCADHN Cn1ccc(CN2C[C@H](O)C3(CC3)C2)c1 ZINC000336515926 387338741 /nfs/dbraw/zinc/33/87/41/387338741.db2.gz HNXBCZOCBHAAOI-NSHDSACASA-N 0 3 206.289 0.982 20 0 BCADHN Cc1cnn(C)c1CNCCSCCCO ZINC000286729924 387340261 /nfs/dbraw/zinc/34/02/61/387340261.db2.gz XQZYUSYBWLDORC-UHFFFAOYSA-N 0 3 243.376 0.934 20 0 BCADHN CCO[C@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000352591312 387344712 /nfs/dbraw/zinc/34/47/12/387344712.db2.gz RNIZALHMFLODKK-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN Cc1ccnc([C@H](C)NC[C@@H]2CNCCN2C)c1 ZINC000423512719 387347848 /nfs/dbraw/zinc/34/78/48/387347848.db2.gz KYLRXWADRHVNGS-STQMWFEESA-N 0 3 248.374 0.944 20 0 BCADHN Cc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)nc(C)n1 ZINC000423515937 387350432 /nfs/dbraw/zinc/35/04/32/387350432.db2.gz XQRWNPWAJKIYRI-UWVGGRQHSA-N 0 3 248.330 0.916 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](CO)C[C@H]1C ZINC000354269050 387353772 /nfs/dbraw/zinc/35/37/72/387353772.db2.gz ZLIUOHXHRRWZFL-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN COc1nn(C)cc1NC(=O)NCCN(C)C ZINC000354729716 387424045 /nfs/dbraw/zinc/42/40/45/387424045.db2.gz GIFHNKKKGPJQEJ-UHFFFAOYSA-N 0 3 241.295 0.112 20 0 BCADHN O=C(Nc1cccc(-n2ccnn2)c1)[C@H]1CCN1 ZINC000423793539 387427410 /nfs/dbraw/zinc/42/74/10/387427410.db2.gz XALMPVQDFOEGPS-LLVKDONJSA-N 0 3 243.270 0.568 20 0 BCADHN CC(C)(C)OC[C@@H](O)CN1CC[C@H](O)C1 ZINC000304015461 387427506 /nfs/dbraw/zinc/42/75/06/387427506.db2.gz JTCPYQVRPACBGE-UWVGGRQHSA-N 0 3 217.309 0.229 20 0 BCADHN CCC[C@@H](NC(=O)[C@H](N)C1CCC1)C(=O)OC ZINC000423800630 387428665 /nfs/dbraw/zinc/42/86/65/387428665.db2.gz NANRHINWAHBZOU-NXEZZACHSA-N 0 3 242.319 0.572 20 0 BCADHN CC[C@H](O)CN(CC(N)=O)CC(C)C ZINC000304024292 387429218 /nfs/dbraw/zinc/42/92/18/387429218.db2.gz YXNJHMIELRDMFU-VIFPVBQESA-N 0 3 202.298 0.201 20 0 BCADHN CCC[C@@H](NC(=O)[C@@H]1CCCCN1)C(=O)OC ZINC000423803983 387429823 /nfs/dbraw/zinc/42/98/23/387429823.db2.gz RHRVULVHMJJDQK-VHSXEESVSA-N 0 3 242.319 0.586 20 0 BCADHN O=C1N[C@H]2CN(CCCCCO)CC[C@@H]2CO1 ZINC000374176673 387430542 /nfs/dbraw/zinc/43/05/42/387430542.db2.gz UCHYWIKLJILWKA-MNOVXSKESA-N 0 3 242.319 0.579 20 0 BCADHN C[C@H](Cc1c[nH]cn1)C(=O)NCCN(C)C ZINC000515864481 387430713 /nfs/dbraw/zinc/43/07/13/387430713.db2.gz DVVIYIZCSXRUSV-SECBINFHSA-N 0 3 224.308 0.266 20 0 BCADHN CCC[C@@H](NC(=O)[C@](C)(N)CCC)C(=O)OC ZINC000423807009 387431628 /nfs/dbraw/zinc/43/16/28/387431628.db2.gz WVZOXJXNMAFURE-BXKDBHETSA-N 0 3 244.335 0.962 20 0 BCADHN CC(C)CC[C@@H](O)CN(C)CC(C)(CO)CO ZINC000361296930 387433250 /nfs/dbraw/zinc/43/32/50/387433250.db2.gz YEWMSLLNZPDRCR-GFCCVEGCSA-N 0 3 247.379 0.706 20 0 BCADHN CCC[C@H](N)C(=O)N1C[C@@H](C)O[C@@H](COC)C1 ZINC000423828949 387434474 /nfs/dbraw/zinc/43/44/74/387434474.db2.gz OMEUBNAIOLCVDI-MXWKQRLJSA-N 0 3 244.335 0.376 20 0 BCADHN Cc1[nH]nc(C(=O)N2CCN3CCC[C@H]3C2)c1C ZINC000265227186 387434698 /nfs/dbraw/zinc/43/46/98/387434698.db2.gz NWQXOCLYHFRMDO-NSHDSACASA-N 0 3 248.330 0.947 20 0 BCADHN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)[C@@H](C)N ZINC000423854618 387437270 /nfs/dbraw/zinc/43/72/70/387437270.db2.gz UZCJLZPHGPAPKN-IMSYWVGJSA-N 0 3 240.303 0.134 20 0 BCADHN COC[C@H](NC(=O)CN)c1ccc(F)c(F)c1 ZINC000423854441 387437444 /nfs/dbraw/zinc/43/74/44/387437444.db2.gz XUUKTNQQWXPEBH-JTQLQIEISA-N 0 3 244.241 0.727 20 0 BCADHN C[C@@H](O)CCCN1CCCC[C@@H]1C(N)=O ZINC000354857604 387438916 /nfs/dbraw/zinc/43/89/16/387438916.db2.gz AVXOONVPGBQNGK-NXEZZACHSA-N 0 3 214.309 0.487 20 0 BCADHN CN(C[C@H]1CCC[C@@H]1O)C(=O)[C@@H](N)C(C)(C)C ZINC000423861298 387440332 /nfs/dbraw/zinc/44/03/32/387440332.db2.gz CCUHEYGGQORFQJ-OUAUKWLOSA-N 0 3 242.363 0.979 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000423871090 387441742 /nfs/dbraw/zinc/44/17/42/387441742.db2.gz KEFGMDUFZDAYDN-BBBLOLIVSA-N 0 3 228.336 0.589 20 0 BCADHN CC[C@H](N)C(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000423875185 387441781 /nfs/dbraw/zinc/44/17/81/387441781.db2.gz HVFDRIDYEAWQHC-UWVGGRQHSA-N 0 3 230.352 0.883 20 0 BCADHN CC(C)[C@H](O)C(C)(C)CNC(=O)C(C)(C)N ZINC000423877413 387442262 /nfs/dbraw/zinc/44/22/62/387442262.db2.gz JLWCYBZSMAEELH-VIFPVBQESA-N 0 3 230.352 0.883 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000423876219 387442795 /nfs/dbraw/zinc/44/27/95/387442795.db2.gz RYNRDSIYQQOOKW-GMTAPVOTSA-N 0 3 228.336 0.589 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000423886091 387444349 /nfs/dbraw/zinc/44/43/49/387444349.db2.gz ZTTIYPNOHSFXSM-YFKTTZPYSA-N 0 3 242.363 0.979 20 0 BCADHN Cc1nnc(NC(=O)[C@@]2(C)CCCCN2)n1C ZINC000423878828 387444738 /nfs/dbraw/zinc/44/47/38/387444738.db2.gz NYQFRMZSKHDHSC-LLVKDONJSA-N 0 3 237.307 0.594 20 0 BCADHN C[C@@]1(O)CCCN(CCN2CCCOCC2)C1 ZINC000361349424 387444718 /nfs/dbraw/zinc/44/47/18/387444718.db2.gz VEIZOVBOIINLGD-CYBMUJFWSA-N 0 3 242.363 0.556 20 0 BCADHN CCN(CC)CC(=O)N1CCOC[C@H](C)C1 ZINC000374367952 387446252 /nfs/dbraw/zinc/44/62/52/387446252.db2.gz SRRKXLQXEIKACR-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000423890506 387446612 /nfs/dbraw/zinc/44/66/12/387446612.db2.gz ZCKUPNBZJLVNKL-DMDPSCGWSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@@H]1COCCN(C(=O)/C=C/CN(C)C)C1 ZINC000374381473 387447914 /nfs/dbraw/zinc/44/79/14/387447914.db2.gz UXXXKGKAUSOUSS-ZWNMCFTASA-N 0 3 226.320 0.599 20 0 BCADHN CCO[C@@H]1C[C@@H](NC(=O)[C@H](N)C(C)C)[C@@H]1OC ZINC000423907330 387449210 /nfs/dbraw/zinc/44/92/10/387449210.db2.gz XWQUKUWCHACUET-DBIOUOCHSA-N 0 3 244.335 0.278 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)CNC[C@H]1CCCO1 ZINC000423919070 387450319 /nfs/dbraw/zinc/45/03/19/387450319.db2.gz DSSUFAMKELUOQH-GARJFASQSA-N 0 3 244.335 0.295 20 0 BCADHN CN(CCc1ccncc1)[C@H]1COC[C@H]1O ZINC000304239665 387450698 /nfs/dbraw/zinc/45/06/98/387450698.db2.gz NJUQUBNRZQYIGH-NWDGAFQWSA-N 0 3 222.288 0.316 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1C(=O)CNC1CC1 ZINC000516048783 387451747 /nfs/dbraw/zinc/45/17/47/387451747.db2.gz ODIQNCSJAVQUPK-LBPRGKRZSA-N 0 3 239.363 0.537 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000423919083 387451905 /nfs/dbraw/zinc/45/19/05/387451905.db2.gz DYJRBPQJRNVVEQ-CIUDSAMLSA-N 0 3 202.298 0.509 20 0 BCADHN CCC[C@H](N)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000423926413 387452591 /nfs/dbraw/zinc/45/25/91/387452591.db2.gz PDAVBDLAEGCUMK-NSHDSACASA-N 0 3 249.314 0.799 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)C1(N)CCCC1 ZINC000423931354 387453704 /nfs/dbraw/zinc/45/37/04/387453704.db2.gz YHPQEAAWKYSNAC-IUCAKERBSA-N 0 3 214.309 0.798 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)C(N)C(F)(F)F ZINC000423927272 387453951 /nfs/dbraw/zinc/45/39/51/387453951.db2.gz QRJDTGHBPANFIE-KVQBGUIXSA-N 0 3 228.214 0.416 20 0 BCADHN CCN(CC)CC(=O)NCC[C@@H](C)O ZINC000304278759 387457383 /nfs/dbraw/zinc/45/73/83/387457383.db2.gz YLZFNDFHGNFSQE-SECBINFHSA-N 0 3 202.298 0.215 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@@H](O)C1(C)C ZINC000572397775 387385398 /nfs/dbraw/zinc/38/53/98/387385398.db2.gz MBOYATYDHLNLQK-SNVBAGLBSA-N 0 3 243.351 0.539 20 0 BCADHN C[NH2+][C@@H](C)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000423623202 387386335 /nfs/dbraw/zinc/38/63/35/387386335.db2.gz BMETVLGKEQDVJP-ZETCQYMHSA-N 0 3 233.275 0.296 20 0 BCADHN C[NH2+][C@H](C)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000423623201 387386427 /nfs/dbraw/zinc/38/64/27/387386427.db2.gz BMETVLGKEQDVJP-SSDOTTSWSA-N 0 3 233.275 0.296 20 0 BCADHN C[C@H](O)[C@H]1CCCN(CCN2CCNC2=O)C1 ZINC000572400634 387388110 /nfs/dbraw/zinc/38/81/10/387388110.db2.gz SDWXTXJUOTWKDV-QWRGUYRKSA-N 0 3 241.335 0.104 20 0 BCADHN CNC(=O)[C@@H]1CN([C@@H](C)CC(C)C)CCO1 ZINC000445422631 387388171 /nfs/dbraw/zinc/38/81/71/387388171.db2.gz PALADTLFBNCRIQ-QWRGUYRKSA-N 0 3 228.336 0.868 20 0 BCADHN CC(=O)c1ccc(C(=O)N[C@H](C)CN(C)C)[nH]1 ZINC000354576732 387397714 /nfs/dbraw/zinc/39/77/14/387397714.db2.gz LBGJYYQKIQOIHG-MRVPVSSYSA-N 0 3 237.303 0.897 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1cncs1 ZINC000354581707 387400192 /nfs/dbraw/zinc/40/01/92/387400192.db2.gz SXCRKELGEKWFRK-SSDOTTSWSA-N 0 3 213.306 0.823 20 0 BCADHN C[C@@H](O)COC(=O)CCN1CCCO[C@H](C)C1 ZINC000373862932 387400428 /nfs/dbraw/zinc/40/04/28/387400428.db2.gz NKJIVXVNHWUHKH-GHMZBOCLSA-N 0 3 245.319 0.411 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000361108014 387401425 /nfs/dbraw/zinc/40/14/25/387401425.db2.gz QRARWRWEWFYPAJ-UWVGGRQHSA-N 0 3 235.287 0.409 20 0 BCADHN C[C@@H](CNC(=O)COC(F)F)N(C)C1CC1 ZINC000352635751 387403654 /nfs/dbraw/zinc/40/36/54/387403654.db2.gz FPIREXCTICWFRU-ZETCQYMHSA-N 0 3 236.262 0.825 20 0 BCADHN C[C@H](O)COC(=O)CCN1CCCOCC1 ZINC000373900494 387403852 /nfs/dbraw/zinc/40/38/52/387403852.db2.gz RMUGKDYZJWFLKK-JTQLQIEISA-N 0 3 231.292 0.023 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)C1)N(C)C1CC1 ZINC000572407350 387407204 /nfs/dbraw/zinc/40/72/04/387407204.db2.gz JVFCLOWUNISHIC-ZJUUUORDSA-N 0 3 238.331 0.955 20 0 BCADHN COC(=O)[C@H](C)CN(C(=O)[C@@H](C)N)C1CC1 ZINC000423746320 387407659 /nfs/dbraw/zinc/40/76/59/387407659.db2.gz QUPSBNHERRCVTD-HTQZYQBOSA-N 0 3 228.292 0.134 20 0 BCADHN CNCC(=O)N(C[C@H](C)C(=O)OC)C1CC1 ZINC000423741522 387407683 /nfs/dbraw/zinc/40/76/83/387407683.db2.gz KGXWATTWPIQIBP-QMMMGPOBSA-N 0 3 228.292 0.006 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@@H](N)C(C)(C)C ZINC000423745546 387407828 /nfs/dbraw/zinc/40/78/28/387407828.db2.gz PTRJIGRTYJKUKY-SECBINFHSA-N 0 3 230.308 0.381 20 0 BCADHN CCCCCN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000373970435 387409607 /nfs/dbraw/zinc/40/96/07/387409607.db2.gz UZNYXWXSVSEZAV-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN NC(C(=O)N[C@@H]1CCCC[C@H]1O)C(F)(F)F ZINC000423751407 387410095 /nfs/dbraw/zinc/41/00/95/387410095.db2.gz FIKMBERAENEBRM-QYNIQEEDSA-N 0 3 240.225 0.296 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CCCC[C@H](CO)C1 ZINC000374038413 387411308 /nfs/dbraw/zinc/41/13/08/387411308.db2.gz AUBYOUMNIUDJGH-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)(C)[C@H](O)CNC(=O)C(N)C(F)(F)F ZINC000423759148 387413420 /nfs/dbraw/zinc/41/34/20/387413420.db2.gz ODBIUHZJXKHZDM-PHDIDXHHSA-N 0 3 242.241 0.399 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000423758679 387413762 /nfs/dbraw/zinc/41/37/62/387413762.db2.gz GJFWHVQLJQUYBG-BXKDBHETSA-N 0 3 243.351 0.391 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000423759840 387413835 /nfs/dbraw/zinc/41/38/35/387413835.db2.gz IQHMXXWPWJJLES-NNYUYHANSA-N 0 3 240.347 0.997 20 0 BCADHN COC[C@@H](C)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000423759782 387414575 /nfs/dbraw/zinc/41/45/75/387414575.db2.gz IKZLJUXMXZTUAV-BBBLOLIVSA-N 0 3 214.309 0.526 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@@H](N)CC ZINC000423762698 387415769 /nfs/dbraw/zinc/41/57/69/387415769.db2.gz OMPKWIBFHYIMOF-VGMNWLOBSA-N 0 3 230.308 0.428 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)C(C)(C)N ZINC000423761922 387417110 /nfs/dbraw/zinc/41/71/10/387417110.db2.gz NEKAMUCBQYYWPG-JGVFFNPUSA-N 0 3 230.308 0.428 20 0 BCADHN CC[C@]1(O)CCN([C@H](C)C(=O)N(C)C)C1 ZINC000336592152 387417157 /nfs/dbraw/zinc/41/71/57/387417157.db2.gz QFSXJQKJHKKQEV-KOLCDFICSA-N 0 3 214.309 0.310 20 0 BCADHN CN(C)c1cccc(NC(=O)C2(N)CC2)n1 ZINC000423767302 387417613 /nfs/dbraw/zinc/41/76/13/387417613.db2.gz WRYOROJBBXXEFE-UHFFFAOYSA-N 0 3 220.276 0.577 20 0 BCADHN CCc1ccnc(CNC(=O)[C@@H](N)CC)c1 ZINC000423768986 387417909 /nfs/dbraw/zinc/41/79/09/387417909.db2.gz BSUFSTGECUVXFF-NSHDSACASA-N 0 3 221.304 0.998 20 0 BCADHN CCCN[C@H](C)C(=O)N1CCCNC(=O)[C@H]1C ZINC000423771820 387420024 /nfs/dbraw/zinc/42/00/24/387420024.db2.gz JGZSABDZKIXBSX-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)OCCNC(=O)C(N)C(F)(F)F ZINC000423770552 387420529 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/nfs/dbraw/zinc/50/73/52/387507352.db2.gz DVARWHBEUHWEJV-LLVKDONJSA-N 0 3 224.308 0.852 20 0 BCADHN CC[C@H](OC)C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000375062303 387507747 /nfs/dbraw/zinc/50/77/47/387507747.db2.gz AMBKZESZCXRFTP-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN CN1CCN(C)[C@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000396864585 387508227 /nfs/dbraw/zinc/50/82/27/387508227.db2.gz SYKWFFLZSDBPJH-VXGBXAGGSA-N 0 3 241.379 0.389 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H]1CCCCO1 ZINC000042823831 387509483 /nfs/dbraw/zinc/50/94/83/387509483.db2.gz FHURZMSSGHHYDA-DTWKUNHWSA-N 0 3 200.282 0.409 20 0 BCADHN CC[C@H](OC)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000375062301 387509516 /nfs/dbraw/zinc/50/95/16/387509516.db2.gz AMBKZESZCXRFTP-TUAOUCFPSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H](O)CCCN1CCN2CCOC[C@H]2C1 ZINC000355269655 387509908 /nfs/dbraw/zinc/50/99/08/387509908.db2.gz CPEBFPYYHMQBJG-NWDGAFQWSA-N 0 3 228.336 0.164 20 0 BCADHN CC[C@@H](C)OCC(=O)NCCN(C)CCOC ZINC000122326631 387512984 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C[C@H](CNC(=O)c1cncc([O-])c1)[N@@H+](C)C1CC1 ZINC000111599684 387542526 /nfs/dbraw/zinc/54/25/26/387542526.db2.gz UDFYKHDXYWETIQ-SECBINFHSA-N 0 3 249.314 1.000 20 0 BCADHN C[C@@H]1C[C@H](N2CCCC2)CN1[C@@H]1CCNC1=O ZINC000352792959 387487682 /nfs/dbraw/zinc/48/76/82/387487682.db2.gz OCQQSEMQYCPYFL-GRYCIOLGSA-N 0 3 237.347 0.434 20 0 BCADHN C[C@]1(C(N)=O)CCN(CCOCC(F)F)C1 ZINC000361555570 387487717 /nfs/dbraw/zinc/48/77/17/387487717.db2.gz BFMFQYYLDZKSJJ-JTQLQIEISA-N 0 3 236.262 0.465 20 0 BCADHN CCNC(=O)CC(=O)N(C)C[C@H]1CCCN1C ZINC000422030481 387542661 /nfs/dbraw/zinc/54/26/61/387542661.db2.gz ATDLXZBBDIMDMT-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CCN(CCN1CCNC1=O)C[C@H](C)OC ZINC000361558051 387490568 /nfs/dbraw/zinc/49/05/68/387490568.db2.gz FSCIMRGESKHDOA-JTQLQIEISA-N 0 3 229.324 0.368 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCCC(C)(C)O ZINC000355167069 387491354 /nfs/dbraw/zinc/49/13/54/387491354.db2.gz QVOWDYUURPIRDM-VIFPVBQESA-N 0 3 231.340 0.397 20 0 BCADHN 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RXWCPYQDBPBMLG-UHFFFAOYSA-N 0 3 213.325 0.990 20 0 BCADHN CO[C@@H](CNC(=O)COC1CNC1)C(C)(C)C ZINC000430442427 387620093 /nfs/dbraw/zinc/62/00/93/387620093.db2.gz YAIDEIAGWXATFB-JTQLQIEISA-N 0 3 244.335 0.152 20 0 BCADHN Cc1nc(C)c(NC(=O)COC2CNC2)s1 ZINC000430453619 387620176 /nfs/dbraw/zinc/62/01/76/387620176.db2.gz FAHWRPOKKVJQOJ-UHFFFAOYSA-N 0 3 241.316 0.687 20 0 BCADHN Cc1cn[nH]c1CN1CCC(OCCO)CC1 ZINC000356140212 387621086 /nfs/dbraw/zinc/62/10/86/387621086.db2.gz TWWAVZNAGLBMOM-UHFFFAOYSA-N 0 3 239.319 0.691 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)[C@@H]1CCCCN1 ZINC000430526128 387623349 /nfs/dbraw/zinc/62/33/49/387623349.db2.gz DVEVJUTZUSVYBO-OUAUKWLOSA-N 0 3 228.336 0.652 20 0 BCADHN CC[C@@H](C(=O)NCCCC(=O)OC)N(C)C ZINC000124584775 387623526 /nfs/dbraw/zinc/62/35/26/387623526.db2.gz VWPGIPGPEJTMDN-VIFPVBQESA-N 0 3 230.308 0.396 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000362516615 387623763 /nfs/dbraw/zinc/62/37/63/387623763.db2.gz QXVIMLRFYQUQNZ-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](N[C@H]1CCc2nc(C)cn2C1)C(N)=O ZINC000112540196 387545808 /nfs/dbraw/zinc/54/58/08/387545808.db2.gz QCBCGRZEHCJTEJ-UWVGGRQHSA-N 0 3 236.319 0.360 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NC[C@]2(C)CCOC2)C1 ZINC000397171953 387550056 /nfs/dbraw/zinc/55/00/56/387550056.db2.gz FCOYEGUBIPOWSO-WZRBSPASSA-N 0 3 240.347 0.917 20 0 BCADHN OCC[C@@H]1CCCN(CCn2cncn2)C1 ZINC000389759866 387550382 /nfs/dbraw/zinc/55/03/82/387550382.db2.gz VIAGFDOWLDFVNF-NSHDSACASA-N 0 3 224.308 0.373 20 0 BCADHN C[C@@H]1CCN(CCC(=O)N(C)C)[C@@H](C(N)=O)C1 ZINC000426262128 387552038 /nfs/dbraw/zinc/55/20/38/387552038.db2.gz VKHBFPMQNZKNMY-NXEZZACHSA-N 0 3 241.335 0.051 20 0 BCADHN CCOCCCN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000426259272 387552121 /nfs/dbraw/zinc/55/21/21/387552121.db2.gz YZPBWYFRFSGPLM-GHMZBOCLSA-N 0 3 228.336 0.999 20 0 BCADHN O=C1NC[C@]2(CCCN(CCCF)C2)O1 ZINC000375556844 387552634 /nfs/dbraw/zinc/55/26/34/387552634.db2.gz JLAUEUHMYJDJOA-JTQLQIEISA-N 0 3 216.256 0.920 20 0 BCADHN COCCN(CC(F)F)C(=O)[C@@H]1C[C@@H]1N ZINC000424113917 387553774 /nfs/dbraw/zinc/55/37/74/387553774.db2.gz PAHPOQZJSJETCQ-RQJHMYQMSA-N 0 3 222.235 0.074 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000361939112 387554456 /nfs/dbraw/zinc/55/44/56/387554456.db2.gz LWSIRDNPGNNWRT-GARJFASQSA-N 0 3 242.319 0.130 20 0 BCADHN COC[C@](C)(CCO)NCc1cnn(C)c1C ZINC000305114703 387555674 /nfs/dbraw/zinc/55/56/74/387555674.db2.gz HLBCVCWMOHCHQS-LBPRGKRZSA-N 0 3 241.335 0.606 20 0 BCADHN CC[C@@H](C(=O)NCC[C@@H](O)C(C)C)N(C)C ZINC000305113921 387555978 /nfs/dbraw/zinc/55/59/78/387555978.db2.gz HEKVFPOHQPXGNJ-WDEREUQCSA-N 0 3 230.352 0.850 20 0 BCADHN CC(C)Cn1ccnc1NC(=O)[C@@H]1C[C@@H]1N ZINC000424116292 387558509 /nfs/dbraw/zinc/55/85/09/387558509.db2.gz XHMRZTAWAANSSD-BDAKNGLRSA-N 0 3 222.292 0.825 20 0 BCADHN CCN(CC)CC(=O)N[C@H](CCO)C(C)C ZINC000305134987 387558717 /nfs/dbraw/zinc/55/87/17/387558717.db2.gz OEVHMUWVGNLUCO-LLVKDONJSA-N 0 3 230.352 0.851 20 0 BCADHN COCC(C)(C)CN1CCN(CCO)[C@H](C)C1 ZINC000426357315 387559314 /nfs/dbraw/zinc/55/93/14/387559314.db2.gz CMRFPKIGSYXCIS-GFCCVEGCSA-N 0 3 244.379 0.657 20 0 BCADHN CC[C@@H](CCO)CNC(=O)[C@@]1(F)CCNC1 ZINC000305137049 387559871 /nfs/dbraw/zinc/55/98/71/387559871.db2.gz UKSMIRDNAZXLGA-GXSJLCMTSA-N 0 3 232.299 0.213 20 0 BCADHN COCC(C)(C)CN1CCN(C[C@H](C)O)CC1 ZINC000426363498 387560074 /nfs/dbraw/zinc/56/00/74/387560074.db2.gz WEEHHMFTDDANKC-LBPRGKRZSA-N 0 3 244.379 0.657 20 0 BCADHN C[C@H](O)CN(C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000362008546 387560916 /nfs/dbraw/zinc/56/09/16/387560916.db2.gz GRVVLDPLKQGOHY-VWYCJHECSA-N 0 3 243.351 0.491 20 0 BCADHN C[C@H](O)CN1CCCC[C@H]1Cn1ccnn1 ZINC000375621389 387561555 /nfs/dbraw/zinc/56/15/55/387561555.db2.gz SCDQZBSHEGHAMK-QWRGUYRKSA-N 0 3 224.308 0.513 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@]12CCOC2 ZINC000422062953 387562211 /nfs/dbraw/zinc/56/22/11/387562211.db2.gz CSJWTAOPIPXNJG-LBPRGKRZSA-N 0 3 226.320 0.720 20 0 BCADHN C[C@@H](C[S@@](C)=O)N(C)C1CCOCC1 ZINC000362062009 387565415 /nfs/dbraw/zinc/56/54/15/387565415.db2.gz COILEDAMCLNKMB-LKFCYVNXSA-N 0 3 219.350 0.864 20 0 BCADHN CNS(=O)(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000375680520 387566643 /nfs/dbraw/zinc/56/66/43/387566643.db2.gz QXQNRMWFSHGCEC-NXEZZACHSA-N 0 3 247.364 0.009 20 0 BCADHN CC[C@@H](N)C(=O)N(CCC(=O)OC)CC(C)C ZINC000037816948 387568311 /nfs/dbraw/zinc/56/83/11/387568311.db2.gz RBTOUUJDMPHAHZ-SNVBAGLBSA-N 0 3 244.335 0.771 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@]12CCOC2 ZINC000422092987 387568406 /nfs/dbraw/zinc/56/84/06/387568406.db2.gz RELSDSHXUXTVBN-GFCCVEGCSA-N 0 3 226.320 0.720 20 0 BCADHN C[C@H]1CCN(CCNCc2cncnc2)C1 ZINC000309821481 387568701 /nfs/dbraw/zinc/56/87/01/387568701.db2.gz WKKJFOJMOHQNRM-NSHDSACASA-N 0 3 220.320 0.908 20 0 BCADHN CC[C@H](N)C(=O)N(CCC(=O)OC)CC(C)C ZINC000037816947 387568840 /nfs/dbraw/zinc/56/88/40/387568840.db2.gz RBTOUUJDMPHAHZ-JTQLQIEISA-N 0 3 244.335 0.771 20 0 BCADHN Cc1ccnc(C(=O)NCCN2CC[C@H](C)C2)n1 ZINC000527467731 387569890 /nfs/dbraw/zinc/56/98/90/387569890.db2.gz YIFSBEWELBFIPO-JTQLQIEISA-N 0 3 248.330 0.857 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN(CC[C@H](C)F)C1 ZINC000375717878 387574161 /nfs/dbraw/zinc/57/41/61/387574161.db2.gz QJORJLNVIUMGSF-DTWKUNHWSA-N 0 3 238.328 0.358 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCOC[C@@H](O)C2)O1 ZINC000399884149 387575403 /nfs/dbraw/zinc/57/54/03/387575403.db2.gz ZOULVVYGSKJVKD-OUAUKWLOSA-N 0 3 215.293 0.247 20 0 BCADHN CCCCOCCN1CCN(CCO)[C@H](C)C1 ZINC000426492840 387575776 /nfs/dbraw/zinc/57/57/76/387575776.db2.gz AIPASMFPEFDGAG-CYBMUJFWSA-N 0 3 244.379 0.802 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H](C)CO ZINC000305188466 387576055 /nfs/dbraw/zinc/57/60/55/387576055.db2.gz JFXVALLQBXMXIK-VIFPVBQESA-N 0 3 202.298 0.071 20 0 BCADHN O[C@@H]1COCCN(CCCCCF)C1 ZINC000399925385 387576705 /nfs/dbraw/zinc/57/67/05/387576705.db2.gz VZKPCUMNVBUGJM-JTQLQIEISA-N 0 3 205.273 0.819 20 0 BCADHN COCCN(CCOC)[C@H]1CCO[C@H]1C ZINC000355755393 387576712 /nfs/dbraw/zinc/57/67/12/387576712.db2.gz HIIJDJPXSBFHJU-QWRGUYRKSA-N 0 3 217.309 0.759 20 0 BCADHN CSCCCN1CCOC[C@H](O)C1 ZINC000399901962 387577232 /nfs/dbraw/zinc/57/72/32/387577232.db2.gz AXHCCTWALZLUIK-SECBINFHSA-N 0 3 205.323 0.433 20 0 BCADHN CC(=O)CCCC(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000375737142 387577779 /nfs/dbraw/zinc/57/77/79/387577779.db2.gz XEBBIXXEWLBNOR-TXEJJXNPSA-N 0 3 238.331 0.766 20 0 BCADHN Cc1cnn(CCC(=O)N(C)CCN(C)C)c1 ZINC000080390196 387578799 /nfs/dbraw/zinc/57/87/99/387578799.db2.gz RUXOUCLLIUCXOF-UHFFFAOYSA-N 0 3 238.335 0.602 20 0 BCADHN CCSCCN1CCOC[C@H](O)C1 ZINC000399956430 387578995 /nfs/dbraw/zinc/57/89/95/387578995.db2.gz XPBVJJGILHTJRA-SECBINFHSA-N 0 3 205.323 0.433 20 0 BCADHN C[C@@H]1C[C@H]1CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000355801715 387579073 /nfs/dbraw/zinc/57/90/73/387579073.db2.gz WHPFLTVJCANFGV-JFGNBEQYSA-N 0 3 226.320 0.215 20 0 BCADHN CCN(CCO)CCNC(=O)NCCCCF ZINC000362162685 387579767 /nfs/dbraw/zinc/57/97/67/387579767.db2.gz QSDSJTOIRJDQPS-UHFFFAOYSA-N 0 3 249.330 0.350 20 0 BCADHN CCC[C@H](O)CN[C@@H]1CCN[C@H]1C(=O)OCC ZINC000422719919 387634122 /nfs/dbraw/zinc/63/41/22/387634122.db2.gz YVZLUOXQJKVLJG-HBNTYKKESA-N 0 3 244.335 0.031 20 0 BCADHN CCOCCNC(=O)[C@@H](CC)N(C)C ZINC000124854004 387634309 /nfs/dbraw/zinc/63/43/09/387634309.db2.gz VMUVZCDDUDAGES-SECBINFHSA-N 0 3 202.298 0.479 20 0 BCADHN CCCCNC(=O)[C@H](C)NCCn1cccn1 ZINC000042540904 387634463 /nfs/dbraw/zinc/63/44/63/387634463.db2.gz UKRYCWLTHKERPW-NSHDSACASA-N 0 3 238.335 0.778 20 0 BCADHN CCc1cc(=O)[n-]c(CN2CC[C@H]([NH2+]C)C2)n1 ZINC000430624202 387634884 /nfs/dbraw/zinc/63/48/84/387634884.db2.gz IPRUEJOIZYBTQN-JTQLQIEISA-N 0 3 236.319 0.538 20 0 BCADHN CN(C)CCN(C(=O)CC(=O)N(C)C)C1CC1 ZINC000356269793 387635740 /nfs/dbraw/zinc/63/57/40/387635740.db2.gz AYUKOLLRDIXSLG-UHFFFAOYSA-N 0 3 241.335 0.017 20 0 BCADHN CCc1cc(=O)[n-]c(CN2CC[C@H]([NH3+])C2)n1 ZINC000430623121 387636681 /nfs/dbraw/zinc/63/66/81/387636681.db2.gz GQIZFHFYPBXRMU-QMMMGPOBSA-N 0 3 222.292 0.278 20 0 BCADHN CCC1(CO)CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000305726200 387637714 /nfs/dbraw/zinc/63/77/14/387637714.db2.gz JKRNIDXFZOOSHO-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN C[NH2+]CCCNC(=O)c1ccc2n[n-]nc2c1 ZINC000422729015 387638915 /nfs/dbraw/zinc/63/89/15/387638915.db2.gz HDQHVRCRLGKTBS-UHFFFAOYSA-N 0 3 233.275 0.297 20 0 BCADHN COCCC1(CNC(=O)[C@@H]2C[C@@H]2N)CCC1 ZINC000424133863 387639049 /nfs/dbraw/zinc/63/90/49/387639049.db2.gz AFCCIWKSEFSQHQ-ZJUUUORDSA-N 0 3 226.320 0.657 20 0 BCADHN CC(=O)c1cnc(NC(=O)[C@@H]2C[C@@H]2N)s1 ZINC000424134110 387639304 /nfs/dbraw/zinc/63/93/04/387639304.db2.gz XXYIQAXUQZRNNB-RITPCOANSA-N 0 3 225.273 0.631 20 0 BCADHN CN(CCNC(=O)[C@@](C)(O)C1CCC1)C1CC1 ZINC000362613121 387639617 /nfs/dbraw/zinc/63/96/17/387639617.db2.gz CMXIUHUAGSHBOE-ZDUSSCGKSA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)CCOC)N(C)C ZINC000125039763 387641285 /nfs/dbraw/zinc/64/12/85/387641285.db2.gz IPUXQOVZTDVFHO-UWVGGRQHSA-N 0 3 216.325 0.868 20 0 BCADHN CCC[C@H](N)C(=O)NCc1nncn1C(C)C ZINC000430702450 387643312 /nfs/dbraw/zinc/64/33/12/387643312.db2.gz YUGJKKDFFJZUMW-VIFPVBQESA-N 0 3 239.323 0.603 20 0 BCADHN CSC1(CN(C)[C@@H]2COC[C@@H]2O)CCC1 ZINC000356327968 387643786 /nfs/dbraw/zinc/64/37/86/387643786.db2.gz ZKBZAASPSJWNPO-ZJUUUORDSA-N 0 3 231.361 0.964 20 0 BCADHN Cc1cccc(NCCNC(=O)[C@H](C)N)n1 ZINC000430733283 387646622 /nfs/dbraw/zinc/64/66/22/387646622.db2.gz QZQPPFLMISDJFM-VIFPVBQESA-N 0 3 222.292 0.265 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)[C@H](N)C(C)(C)C ZINC000125199482 387646848 /nfs/dbraw/zinc/64/68/48/387646848.db2.gz FGBIFMYLWBRNHU-BDAKNGLRSA-N 0 3 244.335 0.627 20 0 BCADHN C[C@H](NC(=O)[C@@H]1C[C@@H]1N)C(=O)Nc1ccccc1 ZINC000424134808 387648568 /nfs/dbraw/zinc/64/85/68/387648568.db2.gz IMYJCJCUYZDANH-GDPRMGEGSA-N 0 3 247.298 0.477 20 0 BCADHN CC[C@@H](C(=O)NC[C@](C)(O)CSC)N(C)C ZINC000125290274 387649144 /nfs/dbraw/zinc/64/91/44/387649144.db2.gz PQQBXMOYYKUGBZ-ONGXEEELSA-N 0 3 248.392 0.557 20 0 BCADHN C[C@@H]1[C@@H](C(=O)NCCN(C)C)[C@@H]1C1CC1 ZINC000527642783 387649657 /nfs/dbraw/zinc/64/96/57/387649657.db2.gz STQBRDAFFWNMRQ-INTQDDNPSA-N 0 3 210.321 0.956 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1C[C@]1(C)Br ZINC000527642100 387650236 /nfs/dbraw/zinc/65/02/36/387650236.db2.gz KADHXDFXGKDALD-CBAPKCEASA-N 0 3 249.152 0.838 20 0 BCADHN CC(C)c1nncn1CCNC(=O)C(C)(C)N ZINC000430784620 387652247 /nfs/dbraw/zinc/65/22/47/387652247.db2.gz QYIKNYSAMNUDFS-UHFFFAOYSA-N 0 3 239.323 0.255 20 0 BCADHN CN(C)CCNC(=O)c1cnn(C2CC2)c1 ZINC000527643174 387652413 /nfs/dbraw/zinc/65/24/13/387652413.db2.gz WPWVUCOHIWCTLM-UHFFFAOYSA-N 0 3 222.292 0.509 20 0 BCADHN CS(=O)(=O)NCCN1CCC[C@H](C2CC2)C1 ZINC000367982141 387653067 /nfs/dbraw/zinc/65/30/67/387653067.db2.gz HICYUPQPDHMXKD-NSHDSACASA-N 0 3 246.376 0.658 20 0 BCADHN C[C@]1(NC(=O)CNC[C@@H]2CCCO2)CCOC1 ZINC000125481613 387655853 /nfs/dbraw/zinc/65/58/53/387655853.db2.gz XONFKWCYHSJJRQ-JQWIXIFHSA-N 0 3 242.319 0.050 20 0 BCADHN CS[C@@H](C)CNC(=O)CNC[C@@H]1CCCO1 ZINC000125427481 387656420 /nfs/dbraw/zinc/65/64/20/387656420.db2.gz UKTAGQDUKOHDJF-UWVGGRQHSA-N 0 3 246.376 0.623 20 0 BCADHN CN1CCC(CC(=O)NCC2(C)COC2)CC1 ZINC000362763005 387656600 /nfs/dbraw/zinc/65/66/00/387656600.db2.gz OMNPXKNMRIJLQI-UHFFFAOYSA-N 0 3 240.347 0.871 20 0 BCADHN Cc1ocnc1CNC(=O)[C@]1(F)CCNC1 ZINC000125419436 387657019 /nfs/dbraw/zinc/65/70/19/387657019.db2.gz VYEUWQUHTAZUBJ-JTQLQIEISA-N 0 3 227.239 0.301 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000430889283 387659306 /nfs/dbraw/zinc/65/93/06/387659306.db2.gz KRAXNZAQDYHBOR-VXGBXAGGSA-N 0 3 239.363 0.809 20 0 BCADHN CCC[C@H](NC(C)C)C(=O)Nc1ncn(C)n1 ZINC000356439402 387659842 /nfs/dbraw/zinc/65/98/42/387659842.db2.gz VPVCEJWZRVUMQZ-VIFPVBQESA-N 0 3 239.323 0.920 20 0 BCADHN CCc1nc(CNC(=O)[C@@H]2C[C@@H]2N)cs1 ZINC000424136168 387660444 /nfs/dbraw/zinc/66/04/44/387660444.db2.gz ACRJSDXZYRPFFI-SFYZADRCSA-N 0 3 225.317 0.669 20 0 BCADHN Cc1cc(CNC[C@H]2CN(C)CCN2C)ccn1 ZINC000527657189 387662898 /nfs/dbraw/zinc/66/28/98/387662898.db2.gz JXKYBEHPLMGLHN-AWEZNQCLSA-N 0 3 248.374 0.725 20 0 BCADHN COC(=O)C[C@H](C)CC(=O)N[C@@H](C)CN(C)C ZINC000356474613 387663685 /nfs/dbraw/zinc/66/36/85/387663685.db2.gz HESIXQLTMZLWOC-ZJUUUORDSA-N 0 3 244.335 0.642 20 0 BCADHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC ZINC000431002685 387668610 /nfs/dbraw/zinc/66/86/10/387668610.db2.gz NKUOOMJRUGPKRX-QMMMGPOBSA-N 0 3 237.307 0.011 20 0 BCADHN CCN(CC)CC(=O)N(C)[C@H](C)CO ZINC000125960931 387669073 /nfs/dbraw/zinc/66/90/73/387669073.db2.gz MCWVPXGEHBDOBW-SECBINFHSA-N 0 3 202.298 0.167 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)COCC2CC2)C1 ZINC000356527144 387669404 /nfs/dbraw/zinc/66/94/04/387669404.db2.gz PAEDWSSMEMTCRK-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CCCCN(CCOC)C(=O)[C@@]1(F)CCNC1 ZINC000376790436 387670629 /nfs/dbraw/zinc/67/06/29/387670629.db2.gz CGZWFSXTDCPOBG-GFCCVEGCSA-N 0 3 246.326 0.963 20 0 BCADHN CC[NH2+]CCNC(=O)c1ccc2n[n-]nc2c1 ZINC000422775658 387671806 /nfs/dbraw/zinc/67/18/06/387671806.db2.gz BAMDUASLZBVHAT-UHFFFAOYSA-N 0 3 233.275 0.297 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1cn2c(n1)CCCC2 ZINC000424138654 387672760 /nfs/dbraw/zinc/67/27/60/387672760.db2.gz UHGCIGAYMQSNJV-WDEREUQCSA-N 0 3 248.330 0.225 20 0 BCADHN CC(C)c1nnc2n1C[C@H](NC1COC1)CC2 ZINC000376900594 387676577 /nfs/dbraw/zinc/67/65/77/387676577.db2.gz AUWMBLLNOZSQNW-SECBINFHSA-N 0 3 236.319 0.705 20 0 BCADHN COC[C@H](O)CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000126240078 387677253 /nfs/dbraw/zinc/67/72/53/387677253.db2.gz FGBZSJFPLSDJCX-GHMZBOCLSA-N 0 3 239.319 0.596 20 0 BCADHN CCn1nncc1CN[C@@H]1C[C@H](C)O[C@H]1C ZINC000527727164 387677678 /nfs/dbraw/zinc/67/76/78/387677678.db2.gz HERPBHYUPFPNHU-ATZCPNFKSA-N 0 3 224.308 0.954 20 0 BCADHN O=C(NC[C@@H]1CCC[NH2+]1)c1ccc2n[n-]nc2c1 ZINC000422780501 387677997 /nfs/dbraw/zinc/67/79/97/387677997.db2.gz HPXGARCTPUUCRN-VIFPVBQESA-N 0 3 245.286 0.440 20 0 BCADHN CCn1nncc1CNCC1(C)COC1 ZINC000527730847 387678924 /nfs/dbraw/zinc/67/89/24/387678924.db2.gz VIRLIEOGMZUANW-UHFFFAOYSA-N 0 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ZINC000441346467 387748257 /nfs/dbraw/zinc/74/82/57/387748257.db2.gz AIUDKRRMIGFQJS-UHFFFAOYSA-N 0 3 215.293 0.786 20 0 BCADHN CC1(C)CN(C[C@H]2COCCO2)[C@@H]2COC[C@@H]21 ZINC000452121566 387749084 /nfs/dbraw/zinc/74/90/84/387749084.db2.gz SWVIPLIIXAYZJK-SDDRHHMPSA-N 0 3 241.331 0.759 20 0 BCADHN COC[C@H]1CCN1C(=O)NCCN(C)C1CC1 ZINC000432088362 387752635 /nfs/dbraw/zinc/75/26/35/387752635.db2.gz IYFZKAGZRVKUEC-LLVKDONJSA-N 0 3 241.335 0.511 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](OC)C[C@@H]1C ZINC000441373435 387754395 /nfs/dbraw/zinc/75/43/95/387754395.db2.gz RXSJXOHOLSTQSG-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN COC[C@H](O)CN1CCOC[C@@H]1CC(C)C ZINC000126869497 387697094 /nfs/dbraw/zinc/69/70/94/387697094.db2.gz JIABEMNBMODSGA-NWDGAFQWSA-N 0 3 231.336 0.741 20 0 BCADHN Cc1noc(C)c1CNC[C@@H](O)[C@@H]1CCCO1 ZINC000527759177 387697558 /nfs/dbraw/zinc/69/75/58/387697558.db2.gz NSLBHHLZSLNQDW-NEPJUHHUSA-N 0 3 240.303 0.921 20 0 BCADHN O[C@@H](CNCc1ccco1)[C@@H]1CCCO1 ZINC000527759096 387698667 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TXSHPXMDTBTAEC-JTQLQIEISA-N 0 3 231.361 0.823 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCCc2nccn21 ZINC000377882425 387755389 /nfs/dbraw/zinc/75/53/89/387755389.db2.gz FGPDXTNXIRUVEQ-SNVBAGLBSA-N 0 3 236.319 0.438 20 0 BCADHN CC[C@H](C(=O)NCCN(C)C)[C@@H](C)O ZINC000431619678 387720933 /nfs/dbraw/zinc/72/09/33/387720933.db2.gz HDNLLYNIQLWWKP-BDAKNGLRSA-N 0 3 202.298 0.071 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NCC1COC1 ZINC000527798698 387721659 /nfs/dbraw/zinc/72/16/59/387721659.db2.gz RRBOWWVVYPRUKA-SNVBAGLBSA-N 0 3 227.308 0.026 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1C[C@H](C)C[C@H](O)C1 ZINC000452071269 387721889 /nfs/dbraw/zinc/72/18/89/387721889.db2.gz TZNHOAUKDFPZET-WOPDTQHZSA-N 0 3 242.363 0.944 20 0 BCADHN CN(C)[C@@H](CC(=O)NCCO)c1ccccc1 ZINC000431623583 387721920 /nfs/dbraw/zinc/72/19/20/387721920.db2.gz SRUHPNSABPSDFL-LBPRGKRZSA-N 0 3 236.315 0.788 20 0 BCADHN CN(C)C[C@H]1CN(Cc2csnn2)CCO1 ZINC000127780125 387725579 /nfs/dbraw/zinc/72/55/79/387725579.db2.gz QPEINEFFZZXSQK-JTQLQIEISA-N 0 3 242.348 0.301 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@H](C)C[C@H](O)C1 ZINC000452071268 387725689 /nfs/dbraw/zinc/72/56/89/387725689.db2.gz TZNHOAUKDFPZET-UTUOFQBUSA-N 0 3 242.363 0.944 20 0 BCADHN C[C@@H]1C[C@@H](O)CN(CCOCC(F)F)C1 ZINC000452071978 387725745 /nfs/dbraw/zinc/72/57/45/387725745.db2.gz SSEJKCRKGZVPRU-RKDXNWHRSA-N 0 3 223.263 0.971 20 0 BCADHN CC[C@@H](CCO)NC(=O)Cc1nc[nH]c1C ZINC000431867462 387736212 /nfs/dbraw/zinc/73/62/12/387736212.db2.gz ZLDQFZSJWVZNBT-VIFPVBQESA-N 0 3 225.292 0.538 20 0 BCADHN CN(C)CCN(C(=O)c1cnn(C)c1)C1CC1 ZINC000356882086 387738913 /nfs/dbraw/zinc/73/89/13/387738913.db2.gz NLRWXQVXYQNNON-UHFFFAOYSA-N 0 3 236.319 0.586 20 0 BCADHN COCCN[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000431956414 387739782 /nfs/dbraw/zinc/73/97/82/387739782.db2.gz CEDMKZXHRGCEFU-NWDGAFQWSA-N 0 3 239.319 0.795 20 0 BCADHN Cc1nc(CCNC(=O)[C@@H]2C[C@@H]2N)sc1C ZINC000424145380 387764171 /nfs/dbraw/zinc/76/41/71/387764171.db2.gz NLBLSGOHMXLRHI-BDAKNGLRSA-N 0 3 239.344 0.766 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCC[C@@H](C)OC ZINC000422896470 387766741 /nfs/dbraw/zinc/76/67/41/387766741.db2.gz AEUDOGKPIWNOOI-OUAUKWLOSA-N 0 3 244.335 0.295 20 0 BCADHN CC[C@H](C(=O)N[C@H](COC)C1CC1)N(C)C ZINC000441579786 387768726 /nfs/dbraw/zinc/76/87/26/387768726.db2.gz JKTOHONBDOYCKP-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H](O)CCNC(=O)C1(N)Cc2ccccc2C1 ZINC000378214747 387771609 /nfs/dbraw/zinc/77/16/09/387771609.db2.gz LIXGVILIOIJLDQ-SNVBAGLBSA-N 0 3 248.326 0.370 20 0 BCADHN O=C(CC1CC1)N[C@@H]1CCCN(CCCO)C1 ZINC000452371417 387812130 /nfs/dbraw/zinc/81/21/30/387812130.db2.gz ADLAPDNNGMICIF-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN Cn1ccs/c1=N\C(=O)[C@@]1(F)CCNC1 ZINC000378210231 387771908 /nfs/dbraw/zinc/77/19/08/387771908.db2.gz MBJXVKIYJBVGBE-ZPBHHCQCSA-N 0 3 229.280 0.216 20 0 BCADHN CC(C)CCN1CCC(S(N)(=O)=O)CC1 ZINC000378327982 387777042 /nfs/dbraw/zinc/77/70/42/387777042.db2.gz UVZHWXRRUDBUGC-UHFFFAOYSA-N 0 3 234.365 0.785 20 0 BCADHN CN(C)CCNC(=O)CSc1ccncc1 ZINC000047653235 387777883 /nfs/dbraw/zinc/77/78/83/387777883.db2.gz IJZQBIVRBYABLY-UHFFFAOYSA-N 0 3 239.344 0.852 20 0 BCADHN CC[C@@H](C(=O)NCC[C@@H](C)CCO)N(C)C ZINC000452247165 387779640 /nfs/dbraw/zinc/77/96/40/387779640.db2.gz HJBNURMIYUZJDA-MNOVXSKESA-N 0 3 230.352 0.851 20 0 BCADHN CCC[C@@H](O)CN1CCSC[C@@H]1CCO ZINC000450480070 387784285 /nfs/dbraw/zinc/78/42/85/387784285.db2.gz AAMAUYNBNFLCCS-WDEREUQCSA-N 0 3 233.377 0.947 20 0 BCADHN CCn1nccc1NC(=O)[C@@H](N)C1CCC1 ZINC000422945534 387785888 /nfs/dbraw/zinc/78/58/88/387785888.db2.gz UROOFYGZAAWXSG-JTQLQIEISA-N 0 3 222.292 0.969 20 0 BCADHN CCCN(C)CC(=O)N1CC(C)(OCC)C1 ZINC000452281230 387789045 /nfs/dbraw/zinc/78/90/45/387789045.db2.gz FDSYYJNZBBQWRE-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@@](C)(O)CC ZINC000422980474 387790686 /nfs/dbraw/zinc/79/06/86/387790686.db2.gz PSWLPWSDXAYBMF-UMNHJUIQSA-N 0 3 244.335 0.031 20 0 BCADHN CN(CCC[C@H]1CCOC1)[C@H]1CCNC1=O ZINC000645841310 387791055 /nfs/dbraw/zinc/79/10/55/387791055.db2.gz FXKXGVKKUABSKT-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN CCOC1(C)CN(C(=O)CN(CC)CC)C1 ZINC000452287921 387792327 /nfs/dbraw/zinc/79/23/27/387792327.db2.gz WSYQXNGOFYGDBL-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CCOC1(C)CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000452286828 387793011 /nfs/dbraw/zinc/79/30/11/387793011.db2.gz UIHWXJXCCCVHKZ-QMMMGPOBSA-N 0 3 249.332 0.057 20 0 BCADHN Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000050456750 387793638 /nfs/dbraw/zinc/79/36/38/387793638.db2.gz UTAUTKQDHRJLHZ-MNOVXSKESA-N 0 3 204.273 0.958 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1cccc(F)c1 ZINC000050458061 387797011 /nfs/dbraw/zinc/79/70/11/387797011.db2.gz OFHREGWDEOTQGM-VHSXEESVSA-N 0 3 208.236 0.789 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCOC[C@H]1C ZINC000432476841 387797936 /nfs/dbraw/zinc/79/79/36/387797936.db2.gz OCYJGKAWXDDAGA-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN CCN(CCCN(C)C)c1ccc(=O)n(C)n1 ZINC000425248792 387799163 /nfs/dbraw/zinc/79/91/63/387799163.db2.gz AEMSVQJFTXHJCE-UHFFFAOYSA-N 0 3 238.335 0.558 20 0 BCADHN Cc1cnccc1CCN1CC[C@@H](NC(N)=O)C1 ZINC000645842869 387800744 /nfs/dbraw/zinc/80/07/44/387800744.db2.gz XCXWEVWCKXKOMC-GFCCVEGCSA-N 0 3 248.330 0.675 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCCOC(F)F ZINC000194038611 387813467 /nfs/dbraw/zinc/81/34/67/387813467.db2.gz PWNSQPHJMSZHAJ-SSDOTTSWSA-N 0 3 245.291 0.638 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2(N)CC2)C[C@H](C)O1 ZINC000309492467 387807819 /nfs/dbraw/zinc/80/78/19/387807819.db2.gz SOYBEWOHWSTSJU-AYMMMOKOSA-N 0 3 212.293 0.550 20 0 BCADHN CC(C)CC(=O)NC[C@@H]1CCCN1CCCO ZINC000452348105 387808650 /nfs/dbraw/zinc/80/86/50/387808650.db2.gz KMNKQBFFKBQLLN-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](NC[C@@H](O)[C@H]1CCCO1)c1ccnn1C ZINC000527959799 387809403 /nfs/dbraw/zinc/80/94/03/387809403.db2.gz YNCDYYLXJXCFCC-MVWJERBFSA-N 0 3 239.319 0.611 20 0 BCADHN CCN(CC)CC(=O)NCC[C@](C)(O)COC ZINC000452368386 387810652 /nfs/dbraw/zinc/81/06/52/387810652.db2.gz XLVNEELXQBAXMV-LBPRGKRZSA-N 0 3 246.351 0.232 20 0 BCADHN NC(=O)N[C@H]1CCN(CCC2CCOCC2)C1 ZINC000432775492 387813594 /nfs/dbraw/zinc/81/35/94/387813594.db2.gz UWVTUXHHVQTESE-NSHDSACASA-N 0 3 241.335 0.546 20 0 BCADHN CN(CCN1CCCCC1)CC(C)(CO)CO ZINC000157517087 387810892 /nfs/dbraw/zinc/81/08/92/387810892.db2.gz XJDDQGJXODPUQJ-UHFFFAOYSA-N 0 3 244.379 0.395 20 0 BCADHN C[C@H](CC(N)=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000135719834 387823361 /nfs/dbraw/zinc/82/33/61/387823361.db2.gz UNHXMMKBTISZHD-NXEZZACHSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)C(N)=O ZINC000157538627 387826224 /nfs/dbraw/zinc/82/62/24/387826224.db2.gz QHGJSIDTZRXWKH-IMSYWVGJSA-N 0 3 241.335 0.238 20 0 BCADHN CC[C@H](CO)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC000564101818 387826267 /nfs/dbraw/zinc/82/62/67/387826267.db2.gz YAJLCICSDKLYNJ-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN Cc1nccn1C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1N ZINC000424157170 387827248 /nfs/dbraw/zinc/82/72/48/387827248.db2.gz QTKRPNMQKJEPSZ-UTUOFQBUSA-N 0 3 248.330 0.530 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC[C@H](O)[C@@H](C)CC ZINC000442739117 387832216 /nfs/dbraw/zinc/83/22/16/387832216.db2.gz RIPCGUXQUGMDKO-VLEAKVRGSA-N 0 3 230.352 0.883 20 0 BCADHN COC[C@@H](C)CNCc1nnc2n1CCC2 ZINC000309616198 387835635 /nfs/dbraw/zinc/83/56/35/387835635.db2.gz CVPNBYAQTOSJPL-VIFPVBQESA-N 0 3 224.308 0.596 20 0 BCADHN CC(C)[C@H](O)CN1CCCC[C@@H]1C(N)=O ZINC000432924967 387840594 /nfs/dbraw/zinc/84/05/94/387840594.db2.gz PLIYXHZILVUWSP-NXEZZACHSA-N 0 3 214.309 0.343 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](C)CCCCO ZINC000452505185 387843532 /nfs/dbraw/zinc/84/35/32/387843532.db2.gz XEEXGONLYAYDHP-NSHDSACASA-N 0 3 230.352 0.994 20 0 BCADHN CCC[C@@H](OC)C(=O)NC[C@@H](C)N(C)C ZINC000448676805 387847865 /nfs/dbraw/zinc/84/78/65/387847865.db2.gz JNAYCAPBGGJSQJ-NXEZZACHSA-N 0 3 216.325 0.868 20 0 BCADHN C[C@@H](CNC(=O)C[C@@H]1CCCC[C@H]1O)N(C)C ZINC000448676640 387847984 /nfs/dbraw/zinc/84/79/84/387847984.db2.gz ISVDZJLBFLQTOB-SDDRHHMPSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](CNC(=O)C[C@H]1CCCC[C@@H]1O)N(C)C ZINC000448676641 387848567 /nfs/dbraw/zinc/84/85/67/387848567.db2.gz ISVDZJLBFLQTOB-TUAOUCFPSA-N 0 3 242.363 0.994 20 0 BCADHN CNC(=O)C[C@H](C)N[C@@H](COC)[C@H]1CCCO1 ZINC000433007724 387849075 /nfs/dbraw/zinc/84/90/75/387849075.db2.gz MGGZPHPIVVWMMY-GARJFASQSA-N 0 3 244.335 0.295 20 0 BCADHN Cc1ncc(CN[C@@H]2C[NH2+]CC[C@@H]2C)c(=O)[n-]1 ZINC000423035632 387850867 /nfs/dbraw/zinc/85/08/67/387850867.db2.gz SCWCSRVFZCLXQQ-GZMMTYOYSA-N 0 3 236.319 0.578 20 0 BCADHN C[C@H](O)CCN(C)Cc1ccc(C(N)=O)cc1 ZINC000075781305 387853213 /nfs/dbraw/zinc/85/32/13/387853213.db2.gz UHFXQTYBPLJAMA-JTQLQIEISA-N 0 3 236.315 0.988 20 0 BCADHN C[C@H](NC(=O)[C@@H]1C[C@@H]1N)[C@@H](O)Cc1ccccc1 ZINC000424166529 387854615 /nfs/dbraw/zinc/85/46/15/387854615.db2.gz COGSKOJKHZLXGS-RYDUCSDGSA-N 0 3 248.326 0.442 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@H](N)C(C)C ZINC000157586427 387856449 /nfs/dbraw/zinc/85/64/49/387856449.db2.gz VSVYCCOPHUAIJC-DTWKUNHWSA-N 0 3 202.298 0.247 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@H]1CCCCN1 ZINC000157619304 387858661 /nfs/dbraw/zinc/85/86/61/387858661.db2.gz LTIMZVHGGYZNIS-NXEZZACHSA-N 0 3 214.309 0.406 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@H]1CCCCN1 ZINC000157619164 387859402 /nfs/dbraw/zinc/85/94/02/387859402.db2.gz LTIMZVHGGYZNIS-VHSXEESVSA-N 0 3 214.309 0.406 20 0 BCADHN CCOC[C@H](O)CN(C)CCSC ZINC000157650800 387861003 /nfs/dbraw/zinc/86/10/03/387861003.db2.gz RTDIAGFKWIAPQA-SECBINFHSA-N 0 3 207.339 0.679 20 0 BCADHN CC(C)[C@H](CO)C(=O)NC[C@H](C)N(C)C ZINC000448683536 387863356 /nfs/dbraw/zinc/86/33/56/387863356.db2.gz ZJBZZXJPUKWPSK-UWVGGRQHSA-N 0 3 216.325 0.317 20 0 BCADHN CSCC[C@H](N)C(=O)N(C)CC[C@H](C)O ZINC000157697270 387864520 /nfs/dbraw/zinc/86/45/20/387864520.db2.gz AXCVCDRPBBYFFB-IUCAKERBSA-N 0 3 234.365 0.296 20 0 BCADHN C[C@@H](O)CCNC(=O)[C@H](N)C(C)(C)C ZINC000157673961 387864962 /nfs/dbraw/zinc/86/49/62/387864962.db2.gz VWLAZDHAROSDMB-SFYZADRCSA-N 0 3 202.298 0.247 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000157700778 387866831 /nfs/dbraw/zinc/86/68/31/387866831.db2.gz UEJYPJWLJVCNML-AEJSXWLSSA-N 0 3 212.293 0.361 20 0 BCADHN CSCC[C@H](C)N(C)C(=O)[C@@H](C)N ZINC000157733289 387868179 /nfs/dbraw/zinc/86/81/79/387868179.db2.gz MNOVYNOWFAIVGV-JGVFFNPUSA-N 0 3 204.339 0.934 20 0 BCADHN CSC[C@H](C)NC(=O)[C@H]1CCCCN1 ZINC000157736334 387868776 /nfs/dbraw/zinc/86/87/76/387868776.db2.gz YATPSTZOEPRWHD-DTWKUNHWSA-N 0 3 216.350 0.996 20 0 BCADHN CCO[C@@]1(C)C[C@H]1N[C@H](C)CC(N)=O ZINC000527974977 387813723 /nfs/dbraw/zinc/81/37/23/387813723.db2.gz PLVNAEYQEQYSOB-MRTMQBJTSA-N 0 3 200.282 0.407 20 0 BCADHN O=C(NC[C@H]1CCCCN1CCO)C1CCC1 ZINC000452385477 387814120 /nfs/dbraw/zinc/81/41/20/387814120.db2.gz DHUJTZIVVHEPGH-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN COC[C@@](C)(CC(=O)OC)NC[C@H](O)C(C)C ZINC000432781888 387817803 /nfs/dbraw/zinc/81/78/03/387817803.db2.gz QFNOAFCKDUHXNO-CMPLNLGQSA-N 0 3 247.335 0.561 20 0 BCADHN CO[C@H]1CCCC[C@@H]1N[C@@H]1CCNC1=O ZINC000393255547 387890318 /nfs/dbraw/zinc/89/03/18/387890318.db2.gz LPXDXTPSFQOAMA-AEJSXWLSSA-N 0 3 212.293 0.422 20 0 BCADHN C[C@H](Cc1ccccc1F)NC(=O)CN ZINC000153689519 387892247 /nfs/dbraw/zinc/89/22/47/387892247.db2.gz JFWSVTWIAYWQNO-MRVPVSSYSA-N 0 3 210.252 0.832 20 0 BCADHN CCCC(=O)NCC(=O)NC[C@@H]1CCCN1C ZINC000194705006 387892280 /nfs/dbraw/zinc/89/22/80/387892280.db2.gz ROJHCGQNOZKCHQ-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN C[C@@H](O)CN(C)C(=O)C1CCN(C2CC2)CC1 ZINC000194719952 387893497 /nfs/dbraw/zinc/89/34/97/387893497.db2.gz IYAGKYVZLQNTDW-SNVBAGLBSA-N 0 3 240.347 0.700 20 0 BCADHN CCc1ccnc(CNC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000424182575 387896621 /nfs/dbraw/zinc/89/66/21/387896621.db2.gz UIGPQGSQEQDBIS-MNOVXSKESA-N 0 3 219.288 0.607 20 0 BCADHN CN(C)CCNC(=O)CNC(=O)CC(C)(C)C ZINC000194336810 387880030 /nfs/dbraw/zinc/88/00/30/387880030.db2.gz JOCXBDIFAZJBIP-UHFFFAOYSA-N 0 3 243.351 0.217 20 0 BCADHN CCOCCN[C@@H](C(N)=O)C(C)(C)C ZINC000152285654 387884171 /nfs/dbraw/zinc/88/41/71/387884171.db2.gz JBZPQMRMSGGSFQ-QMMMGPOBSA-N 0 3 202.298 0.513 20 0 BCADHN CS[C@H](CO)[C@H](C)NCc1c[nH]nc1C ZINC000152474331 387885171 /nfs/dbraw/zinc/88/51/71/387885171.db2.gz ZMCIIITTXZZAMT-WCBMZHEXSA-N 0 3 229.349 0.920 20 0 BCADHN Cc1nn(C)cc1CNCC[C@H](O)C(F)F ZINC000631216634 387885785 /nfs/dbraw/zinc/88/57/85/387885785.db2.gz QHKNZNXMLJPEJD-VIFPVBQESA-N 0 3 233.262 0.834 20 0 BCADHN CC(C)C(=O)NC[C@](C)(O)CN(C)C ZINC000152722116 387886501 /nfs/dbraw/zinc/88/65/01/387886501.db2.gz JLTHOZQLVPFEOS-JTQLQIEISA-N 0 3 202.298 0.071 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C1CCC1 ZINC000152604789 387886535 /nfs/dbraw/zinc/88/65/35/387886535.db2.gz KACUIWWUAHCHBN-NSHDSACASA-N 0 3 214.309 0.215 20 0 BCADHN Cc1onc2c1c(C)nn(CCN(C)C)c2=O ZINC000033755343 387886522 /nfs/dbraw/zinc/88/65/22/387886522.db2.gz OYXWVQPPLODDFZ-UHFFFAOYSA-N 0 3 236.275 0.563 20 0 BCADHN CCOC(=O)CC[C@@H](C)NC(=O)[C@H](C)N ZINC000158068621 387888646 /nfs/dbraw/zinc/88/86/46/387888646.db2.gz UBOPACASHKPYNQ-SFYZADRCSA-N 0 3 216.281 0.182 20 0 BCADHN O=C(N[C@H]1CCCN(CCCO)C1)C1CC1 ZINC000586061629 387918320 /nfs/dbraw/zinc/91/83/20/387918320.db2.gz BKESWPJWARJMQR-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@H](N)C1CCC1 ZINC000423126456 387904256 /nfs/dbraw/zinc/90/42/56/387904256.db2.gz IUZDUOOGMOLCAL-VXNVDRBHSA-N 0 3 228.292 0.039 20 0 BCADHN CCOCC[C@H](O)CN1CCSC[C@@H]1CO ZINC000444678665 387904904 /nfs/dbraw/zinc/90/49/04/387904904.db2.gz XQEUQKUNCHRETK-QWRGUYRKSA-N 0 3 249.376 0.184 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000423128197 387905192 /nfs/dbraw/zinc/90/51/92/387905192.db2.gz KQGMIUPMINNYRC-IVZWLZJFSA-N 0 3 242.319 0.300 20 0 BCADHN C[C@@H](O)CN1CCN(CC2(O)CCCC2)CC1 ZINC000444672509 387905359 /nfs/dbraw/zinc/90/53/59/387905359.db2.gz KCSYFLMDYATHPI-GFCCVEGCSA-N 0 3 242.363 0.290 20 0 BCADHN Cc1cc[nH]c1C(=O)NCCNc1ccncc1 ZINC000438257207 387919458 /nfs/dbraw/zinc/91/94/58/387919458.db2.gz LJAMOMDSRLFQOO-UHFFFAOYSA-N 0 3 244.298 0.982 20 0 BCADHN CCOCC[C@H](O)CN(C)CCOCC ZINC000444686476 387907700 /nfs/dbraw/zinc/90/77/00/387907700.db2.gz SSBVLYXKMVKKAP-NSHDSACASA-N 0 3 219.325 0.742 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000236842081 387908144 /nfs/dbraw/zinc/90/81/44/387908144.db2.gz JVEMUMKLHWKTOK-QWRGUYRKSA-N 0 3 241.335 0.241 20 0 BCADHN O=C(NC1CC1)[C@H]1CCCN1CCCO ZINC000195131349 387908375 /nfs/dbraw/zinc/90/83/75/387908375.db2.gz UTWKUXZOJWJPHZ-SNVBAGLBSA-N 0 3 212.293 0.112 20 0 BCADHN COCCO[C@@H]1CCN(CCC(=O)N(C)C)C1 ZINC000444747768 387919803 /nfs/dbraw/zinc/91/98/03/387919803.db2.gz BYOPFVBBENYDIR-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN CCOCC[C@@H](O)CN1CCOCC2(CC2)C1 ZINC000444687278 387908705 /nfs/dbraw/zinc/90/87/05/387908705.db2.gz GDNNGBCKKFWAAP-GFCCVEGCSA-N 0 3 243.347 0.886 20 0 BCADHN COCCO[C@@H]1CCN(C[C@H](O)CSC)C1 ZINC000444749981 387919515 /nfs/dbraw/zinc/91/95/15/387919515.db2.gz WOGOJUQQBHPDGR-WDEREUQCSA-N 0 3 249.376 0.448 20 0 BCADHN Cn1nnc2cc(CN[C@@H]3CC[C@H]3O)ccc21 ZINC000424195042 387917049 /nfs/dbraw/zinc/91/70/49/387917049.db2.gz BVMCBHUHBXJYJT-BXKDBHETSA-N 0 3 232.287 0.581 20 0 BCADHN OCCN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444729670 387917325 /nfs/dbraw/zinc/91/73/25/387917325.db2.gz SDHRDAANLSEXSZ-HTQZYQBOSA-N 0 3 227.226 0.614 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@@H](CC)[C@H](C)O ZINC000423150962 387930280 /nfs/dbraw/zinc/93/02/80/387930280.db2.gz JKFCCILWEQIMBD-XWLWVQCSSA-N 0 3 244.335 0.029 20 0 BCADHN CC(C)OC[C@@H](C)N[C@H]1CCC(=O)N(C)C1=O ZINC000424212795 387930851 /nfs/dbraw/zinc/93/08/51/387930851.db2.gz SLFAKUIIPBYQLG-ZJUUUORDSA-N 0 3 242.319 0.537 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@@H]1CC12CC2 ZINC000424216653 387932381 /nfs/dbraw/zinc/93/23/81/387932381.db2.gz BJPNVLMYYYVEEZ-PHDIDXHHSA-N 0 3 204.220 0.638 20 0 BCADHN COC[C@H](C)CN1CCN2C(=O)CC[C@H]2C1 ZINC000527108107 387934726 /nfs/dbraw/zinc/93/47/26/387934726.db2.gz NJSYFHFWUHBHIW-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@@](C)(N)CCC ZINC000158164038 387935325 /nfs/dbraw/zinc/93/53/25/387935325.db2.gz KFBHPIJUSPSADY-ONGXEEELSA-N 0 3 216.325 0.781 20 0 BCADHN NC1(C(=O)N2CCC[C@@H](n3ccnn3)C2)CCC1 ZINC000424218712 387936101 /nfs/dbraw/zinc/93/61/01/387936101.db2.gz WJSXATWVEJOKIS-SNVBAGLBSA-N 0 3 249.318 0.323 20 0 BCADHN CCN(CC1CC1)C(=O)[C@]1(F)CCNC1 ZINC000158189731 387936170 /nfs/dbraw/zinc/93/61/70/387936170.db2.gz HVFVFHVOIHZIJP-NSHDSACASA-N 0 3 214.284 0.947 20 0 BCADHN Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)[nH]n1 ZINC000195336044 387920292 /nfs/dbraw/zinc/92/02/92/387920292.db2.gz AZOLLTOSUNMLOD-JTQLQIEISA-N 0 3 234.303 0.638 20 0 BCADHN Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)n[nH]1 ZINC000195336044 387920295 /nfs/dbraw/zinc/92/02/95/387920295.db2.gz AZOLLTOSUNMLOD-JTQLQIEISA-N 0 3 234.303 0.638 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](CO)C(C)(C)C ZINC000444756700 387921584 /nfs/dbraw/zinc/92/15/84/387921584.db2.gz HXGOUFRNFNRNQK-JTQLQIEISA-N 0 3 230.352 0.850 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@]1(C)CCCCN1 ZINC000237105536 387922179 /nfs/dbraw/zinc/92/21/79/387922179.db2.gz PQPAUMNZCVPNEQ-SKDRFNHKSA-N 0 3 242.319 0.444 20 0 BCADHN Cn1cc(CN(CCO)C2CCOCC2)cn1 ZINC000438332219 387923546 /nfs/dbraw/zinc/92/35/46/387923546.db2.gz CSKBPUPZLRESHT-UHFFFAOYSA-N 0 3 239.319 0.393 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000237214381 387924611 /nfs/dbraw/zinc/92/46/11/387924611.db2.gz IKZSCZGDRUHWMH-IUCAKERBSA-N 0 3 230.308 0.428 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000424199498 387926197 /nfs/dbraw/zinc/92/61/97/387926197.db2.gz FGQWUTWSFUOTPP-JXUBOQSCSA-N 0 3 240.303 0.182 20 0 BCADHN N[C@H](C(=O)N[C@@H]1C[C@H]2C[C@H]2C1)C1CCOCC1 ZINC000424199538 387926897 /nfs/dbraw/zinc/92/68/97/387926897.db2.gz FHYKVZHVUNBTDH-USZNOCQGSA-N 0 3 238.331 0.655 20 0 BCADHN CO[C@@H](C)[C@@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000461422003 387927343 /nfs/dbraw/zinc/92/73/43/387927343.db2.gz SAYYPXRWQVFJSF-AEJSXWLSSA-N 0 3 231.340 0.659 20 0 BCADHN CN(CCC[C@@H]1CCOC1)[C@@H]1CCN(C)C1=O ZINC000645807238 387952356 /nfs/dbraw/zinc/95/23/56/387952356.db2.gz ONDAYCZPEUYYGG-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN COC(=O)CC1CC(NCc2ccn(C)n2)C1 ZINC000424286926 387953468 /nfs/dbraw/zinc/95/34/68/387953468.db2.gz QQUYEHPYLWTCDY-UHFFFAOYSA-N 0 3 237.303 0.851 20 0 BCADHN CC1(CN2CCC[C@H]2C(=O)NC2CC2)COC1 ZINC000438782813 387953831 /nfs/dbraw/zinc/95/38/31/387953831.db2.gz BATCYTBMEXXJMP-NSHDSACASA-N 0 3 238.331 0.766 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)C3CCC3)C[C@@H]21 ZINC000452994711 387954992 /nfs/dbraw/zinc/95/49/92/387954992.db2.gz QXSIHUSEIORHCK-MNOVXSKESA-N 0 3 208.305 0.949 20 0 BCADHN CCN1C[C@@H](NC(=O)CN(C)C(C)C)CC1=O ZINC000453003215 387956660 /nfs/dbraw/zinc/95/66/60/387956660.db2.gz XRLVCLPJJKCINI-JTQLQIEISA-N 0 3 241.335 0.064 20 0 BCADHN O=C(CCOC1CNC1)N[C@@H]1CC12CC2 ZINC000424224195 387938246 /nfs/dbraw/zinc/93/82/46/387938246.db2.gz RNLHIWCWOIIRNL-SECBINFHSA-N 0 3 210.277 0.034 20 0 BCADHN CC(C)N(C)CC(=O)N(C)CC1(CO)CC1 ZINC000438491798 387938386 /nfs/dbraw/zinc/93/83/86/387938386.db2.gz 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BJIHGNSJNMHXIE-LBPRGKRZSA-N 0 3 230.352 0.851 20 0 BCADHN CCCN(C)CC(=O)NC[C@@](C)(O)C(C)C ZINC000440203531 388035654 /nfs/dbraw/zinc/03/56/54/388035654.db2.gz BJIHGNSJNMHXIE-GFCCVEGCSA-N 0 3 230.352 0.851 20 0 BCADHN NS(=O)(=O)C[C@@H]1CCCN1CC1=CCCC1 ZINC000645827889 388039067 /nfs/dbraw/zinc/03/90/67/388039067.db2.gz ASMRLCVINRNXST-NSHDSACASA-N 0 3 244.360 0.850 20 0 BCADHN O=C([C@H]1CNCc2ccccc21)N1CCOCC1 ZINC000082796474 388042065 /nfs/dbraw/zinc/04/20/65/388042065.db2.gz JRWDMVJDTPXKPL-ZDUSSCGKSA-N 0 3 246.310 0.732 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCCCS1 ZINC000082303079 388026363 /nfs/dbraw/zinc/02/63/63/388026363.db2.gz VIWXLFHRRIUSNK-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN CCNC(=O)CN1CCCC[C@H]1[C@H](C)O ZINC000246300865 388029467 /nfs/dbraw/zinc/02/94/67/388029467.db2.gz DTMNMVFSAUYRAB-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN CN(CCN)Cc1ccc(S(C)(=O)=O)cc1 ZINC000082327242 388030454 /nfs/dbraw/zinc/03/04/54/388030454.db2.gz RWSNNXHSRQUVAS-UHFFFAOYSA-N 0 3 242.344 0.481 20 0 BCADHN c1nc2cnccn2c1CNC[C@@H]1COCCO1 ZINC000533329634 388051873 /nfs/dbraw/zinc/05/18/73/388051873.db2.gz JHIWILYGTSOGOL-LLVKDONJSA-N 0 3 248.286 0.234 20 0 BCADHN CN(C)CCNC(=O)c1cn(C2CCC2)nn1 ZINC000648713754 388053190 /nfs/dbraw/zinc/05/31/90/388053190.db2.gz YKIDTJHQAAEWMQ-UHFFFAOYSA-N 0 3 237.307 0.295 20 0 BCADHN CN(C)c1ncc(CNCC(C)(C)O)n1C ZINC000083461425 388053201 /nfs/dbraw/zinc/05/32/01/388053201.db2.gz ZFSIBVYENWUZEI-UHFFFAOYSA-N 0 3 226.324 0.347 20 0 BCADHN CC[C@@H](N[C@H]1C[C@@H](O)C1)c1cnn(C)c1 ZINC000453348551 388054024 /nfs/dbraw/zinc/05/40/24/388054024.db2.gz CRMUVYIHLBEBMV-OUAUKWLOSA-N 0 3 209.293 0.984 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@H](C)[C@@H]1CCCO1 ZINC000453349015 388055434 /nfs/dbraw/zinc/05/54/34/388055434.db2.gz IYYQLMCADJMCAC-WISYIIOYSA-N 0 3 229.320 0.947 20 0 BCADHN COC(C)(C)CN(C)[C@H]1CCN(C)C1=O ZINC000533346027 388056318 /nfs/dbraw/zinc/05/63/18/388056318.db2.gz DPQSADWBDRRPGH-VIFPVBQESA-N 0 3 214.309 0.574 20 0 BCADHN COC[C@@H]1CCCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000645984667 388116289 /nfs/dbraw/zinc/11/62/89/388116289.db2.gz XFDBGOAIONPYIE-GHMZBOCLSA-N 0 3 240.347 0.869 20 0 BCADHN CCCN(C)CC(=O)NCc1cccn1C ZINC000440615250 388062026 /nfs/dbraw/zinc/06/20/26/388062026.db2.gz QWWWXBQJTISFNE-UHFFFAOYSA-N 0 3 223.320 0.983 20 0 BCADHN NC1(C(=O)N2CCN(CC3CC3)CC2)CC1 ZINC000083834926 388063406 /nfs/dbraw/zinc/06/34/06/388063406.db2.gz DIMWWDUEPSWAHS-UHFFFAOYSA-N 0 3 223.320 0.032 20 0 BCADHN CNCC(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000083889198 388064724 /nfs/dbraw/zinc/06/47/24/388064724.db2.gz JLZRMUXEPICORS-CQSZACIVSA-N 0 3 248.326 0.980 20 0 BCADHN NCC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000083889436 388064969 /nfs/dbraw/zinc/06/49/69/388064969.db2.gz NEGXWPAKEPAANI-LLVKDONJSA-N 0 3 233.315 0.588 20 0 BCADHN CNCC(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000083889199 388064989 /nfs/dbraw/zinc/06/49/89/388064989.db2.gz JLZRMUXEPICORS-AWEZNQCLSA-N 0 3 248.326 0.980 20 0 BCADHN CNCC(=O)N1CC(Cc2ccccc2)C1 ZINC000083905426 388065351 /nfs/dbraw/zinc/06/53/51/388065351.db2.gz XLDMPDKDTVGJTH-UHFFFAOYSA-N 0 3 218.300 0.907 20 0 BCADHN NCC(=O)NCc1cc(-c2ccccc2)no1 ZINC000083909794 388067353 /nfs/dbraw/zinc/06/73/53/388067353.db2.gz YBYYOPQAIOXWDQ-UHFFFAOYSA-N 0 3 231.255 0.917 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000084091359 388072770 /nfs/dbraw/zinc/07/27/70/388072770.db2.gz PKERZIHAXOKNIV-NGZCFLSTSA-N 0 3 241.335 0.097 20 0 BCADHN CN1C(=O)CC[C@H](NCc2ccccc2)C1=O ZINC000084406343 388078014 /nfs/dbraw/zinc/07/80/14/388078014.db2.gz UZAMMGYWFLVFHO-NSHDSACASA-N 0 3 232.283 0.924 20 0 BCADHN CC[C@@H](N[C@@H]1CCOC1(C)C)C(=O)NC ZINC000453422227 388080678 /nfs/dbraw/zinc/08/06/78/388080678.db2.gz XEILNCLEBIOCDA-RKDXNWHRSA-N 0 3 214.309 0.668 20 0 BCADHN CC[C@@H](C(=O)NCCC[C@H](C)O)N(C)C ZINC000447619641 388083307 /nfs/dbraw/zinc/08/33/07/388083307.db2.gz HPEUSGZTKKCJBA-UWVGGRQHSA-N 0 3 216.325 0.604 20 0 BCADHN CC(C)[C@H](C(=O)NCCC[C@@H](C)O)N(C)C ZINC000447621002 388083448 /nfs/dbraw/zinc/08/34/48/388083448.db2.gz XKLPVDYWXCHODK-GHMZBOCLSA-N 0 3 230.352 0.850 20 0 BCADHN CC(C)(C)[C@@H]1CCN([C@H]2COC[C@H]2O)C[C@@H]1O ZINC000463142911 388086754 /nfs/dbraw/zinc/08/67/54/388086754.db2.gz HBFZFCGTXHJGMO-NOOOWODRSA-N 0 3 243.347 0.475 20 0 BCADHN C[C@H]1C[C@H]1CN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000453590313 388087388 /nfs/dbraw/zinc/08/73/88/388087388.db2.gz XZSGJPGYEBAMEM-NAKRPEOUSA-N 0 3 224.304 0.232 20 0 BCADHN CC1(C(N)=O)CN(CCCn2ccnc2)C1 ZINC000645958651 388087606 /nfs/dbraw/zinc/08/76/06/388087606.db2.gz ZZYUBZOEPHYQGH-UHFFFAOYSA-N 0 3 222.292 0.080 20 0 BCADHN CCC[C@@]1(CO)CCN([C@H]2COC[C@H]2O)C1 ZINC000463189614 388088581 /nfs/dbraw/zinc/08/85/81/388088581.db2.gz BAXFCGCECOYTJL-QJPTWQEYSA-N 0 3 229.320 0.231 20 0 BCADHN CCCN(C)CC(=O)NC[C@H]1CCCC(=O)N1 ZINC000447742562 388090501 /nfs/dbraw/zinc/09/05/01/388090501.db2.gz DDXMRRSMBHRUGJ-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN C[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000085620168 388093006 /nfs/dbraw/zinc/09/30/06/388093006.db2.gz KTDRMXQTRYBEBL-GMTAPVOTSA-N 0 3 226.320 0.670 20 0 BCADHN O=C(C[C@H]1CNCCO1)NCc1nccs1 ZINC000085619778 388093331 /nfs/dbraw/zinc/09/33/31/388093331.db2.gz DIQWYBWGQMQAAR-QMMMGPOBSA-N 0 3 241.316 0.138 20 0 BCADHN CC(=O)NCCCN1C[C@@H](O)C(C)(C)C1 ZINC000447799314 388094380 /nfs/dbraw/zinc/09/43/80/388094380.db2.gz HOVNBSCAOHCBCZ-SNVBAGLBSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@H](CO)CN1CCO[C@@]2(CCSC2)C1 ZINC000645965297 388094513 /nfs/dbraw/zinc/09/45/13/388094513.db2.gz ZMMGZCGQYDYZMK-QWRGUYRKSA-N 0 3 231.361 0.823 20 0 BCADHN C[C@@H](O)CN(C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000464263260 388098353 /nfs/dbraw/zinc/09/83/53/388098353.db2.gz GRVVLDPLKQGOHY-HBNTYKKESA-N 0 3 243.351 0.491 20 0 BCADHN C[C@@H](O)CN(C)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000464339387 388099033 /nfs/dbraw/zinc/09/90/33/388099033.db2.gz SWEHIXHROHZVAF-OUAUKWLOSA-N 0 3 243.351 0.491 20 0 BCADHN CC[C@H](C(=O)N1CC(C)(COC)C1)N(C)C ZINC000447880127 388100067 /nfs/dbraw/zinc/10/00/67/388100067.db2.gz CWHKOLCZFIHTSH-SNVBAGLBSA-N 0 3 228.336 0.822 20 0 BCADHN CC(C)OC(=O)CCN[C@H](CO)[C@@H]1CCCO1 ZINC000447900125 388101271 /nfs/dbraw/zinc/10/12/71/388101271.db2.gz AAEXSHRZCLUESF-MNOVXSKESA-N 0 3 245.319 0.458 20 0 BCADHN Cc1c(CN[C@H](CO)[C@@H]2CCCO2)cnn1C ZINC000447908184 388102918 /nfs/dbraw/zinc/10/29/18/388102918.db2.gz USYHJNNTSWWTFM-NEPJUHHUSA-N 0 3 239.319 0.358 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@@H](CO)[C@H]1CCCO1 ZINC000447917077 388103988 /nfs/dbraw/zinc/10/39/88/388103988.db2.gz WRFPTPFRURBTFC-GARJFASQSA-N 0 3 244.335 0.031 20 0 BCADHN CC(C)NC(=O)CCN[C@@H](CO)[C@H]1CCCO1 ZINC000447917210 388104018 /nfs/dbraw/zinc/10/40/18/388104018.db2.gz XGYNBAAXHJQHMP-WDEREUQCSA-N 0 3 244.335 0.031 20 0 BCADHN CC(C)N(C)CCNC(=O)C(=O)c1ccc[nH]1 ZINC000454183588 388104503 /nfs/dbraw/zinc/10/45/03/388104503.db2.gz PHQLGZWQGSGRDY-UHFFFAOYSA-N 0 3 237.303 0.654 20 0 BCADHN CN(CCNC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC000448791784 388110587 /nfs/dbraw/zinc/11/05/87/388110587.db2.gz APVNLLJDGOOKAM-QMMMGPOBSA-N 0 3 218.247 0.852 20 0 BCADHN CC[C@@H](O)CC(=O)NCCN(C)C1CC1 ZINC000448793450 388111353 /nfs/dbraw/zinc/11/13/53/388111353.db2.gz GMZJWLPBIYZNSX-SNVBAGLBSA-N 0 3 214.309 0.358 20 0 BCADHN CN(CCNC(=O)C1CC(C)(O)C1)C1CC1 ZINC000448795920 388111855 /nfs/dbraw/zinc/11/18/55/388111855.db2.gz NHMKBNOOQCFMDH-UHFFFAOYSA-N 0 3 226.320 0.358 20 0 BCADHN Cc1nn(C)cc1CNCC[C@@H](C)[S@](C)=O ZINC000160168235 388049507 /nfs/dbraw/zinc/04/95/07/388049507.db2.gz MJISXUGTZGYSLW-JDNHERCYSA-N 0 3 243.376 0.975 20 0 BCADHN COC(=O)CCCCNC(=O)[C@@H](N)CC(C)C ZINC000083372974 388049697 /nfs/dbraw/zinc/04/96/97/388049697.db2.gz DCNNNVRPCDGENR-JTQLQIEISA-N 0 3 244.335 0.819 20 0 BCADHN Cc1nn(C)cc1CNCC[C@@H](C)[S@@](C)=O ZINC000160168447 388049856 /nfs/dbraw/zinc/04/98/56/388049856.db2.gz MJISXUGTZGYSLW-ABKXIKBNSA-N 0 3 243.376 0.975 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000646145972 388156687 /nfs/dbraw/zinc/15/66/87/388156687.db2.gz HYJCYHYZKNZFHN-GHMZBOCLSA-N 0 3 240.347 0.869 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCCCc1nc(C)no1 ZINC000645927858 388157272 /nfs/dbraw/zinc/15/72/72/388157272.db2.gz ANRVZYCHGSYCTG-VHSXEESVSA-N 0 3 241.291 0.314 20 0 BCADHN COCC(COC)NC(=O)[C@H](C(C)C)N(C)C ZINC000456230585 388187508 /nfs/dbraw/zinc/18/75/08/388187508.db2.gz NVWKNPPYJGJRNP-NSHDSACASA-N 0 3 246.351 0.350 20 0 BCADHN Cn1nccc1[C@@H](CO)NC1CCCC1 ZINC000645927912 388157815 /nfs/dbraw/zinc/15/78/15/388157815.db2.gz GFHUTVZMSJECSJ-SNVBAGLBSA-N 0 3 209.293 0.986 20 0 BCADHN Cn1nccc1[C@H](CO)NC1CCCC1 ZINC000645927911 388158284 /nfs/dbraw/zinc/15/82/84/388158284.db2.gz GFHUTVZMSJECSJ-JTQLQIEISA-N 0 3 209.293 0.986 20 0 BCADHN CSCCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000261528313 135153249 /nfs/dbraw/zinc/15/32/49/135153249.db2.gz MVONYZJMDLFTOV-DTWKUNHWSA-N 0 3 216.350 0.948 20 0 BCADHN CCC(C)(CC)C(=O)N[C@H](CO)CN(C)C ZINC000646211154 388165087 /nfs/dbraw/zinc/16/50/87/388165087.db2.gz UZLOMMNODYIIBC-JTQLQIEISA-N 0 3 230.352 0.851 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)C1(N)CCC1 ZINC000449277950 388166202 /nfs/dbraw/zinc/16/62/02/388166202.db2.gz YZBPZFLVPBUXLL-DTWKUNHWSA-N 0 3 214.309 0.391 20 0 BCADHN CCOC(=O)C(C)(C)NC(=O)[C@@H](C)NC1CC1 ZINC000449277412 388166312 /nfs/dbraw/zinc/16/63/12/388166312.db2.gz WLGBIHDYBCBNFS-MRVPVSSYSA-N 0 3 242.319 0.585 20 0 BCADHN CC[C@@H](CCO)CNC(=O)[C@@H]1NCC1(C)C ZINC000646212459 388166383 /nfs/dbraw/zinc/16/63/83/388166383.db2.gz HTKBLIZFFPSMLZ-UWVGGRQHSA-N 0 3 228.336 0.509 20 0 BCADHN CCCN[C@@H](C)C(=O)N[C@H]1CCCN(C)C1=O ZINC000449281155 388167590 /nfs/dbraw/zinc/16/75/90/388167590.db2.gz BTEXRUGYNTVFMW-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@@H](C)CC(=O)N[C@H](CO)CN1CCCC1 ZINC000646222526 388167638 /nfs/dbraw/zinc/16/76/38/388167638.db2.gz UGGHSRBUVGYQJP-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C)CC(=O)N[C@H](CO)CN1CCCC1 ZINC000646222528 388167819 /nfs/dbraw/zinc/16/78/19/388167819.db2.gz UGGHSRBUVGYQJP-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1nn(C)cc1[C@H]1CCCN1C(=O)[C@H](C)N ZINC000646227257 388168476 /nfs/dbraw/zinc/16/84/76/388168476.db2.gz LUAUBMFPNIZDQA-GZMMTYOYSA-N 0 3 236.319 0.739 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)[C@@H]1NCC1(C)C ZINC000646246981 388170224 /nfs/dbraw/zinc/17/02/24/388170224.db2.gz ZAXOGXYMGDUCRO-ZJUUUORDSA-N 0 3 228.336 0.508 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000646247457 388170390 /nfs/dbraw/zinc/17/03/90/388170390.db2.gz QNLIUMZUTKWMIE-GXSJLCMTSA-N 0 3 248.330 0.381 20 0 BCADHN C[C@H](N[C@H]1CSC[C@H]1C)C(=O)NCCF ZINC000449306477 388170606 /nfs/dbraw/zinc/17/06/06/388170606.db2.gz LPEZPEVGVIYOOW-VGMNWLOBSA-N 0 3 234.340 0.802 20 0 BCADHN CCNC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000250271518 388172684 /nfs/dbraw/zinc/17/26/84/388172684.db2.gz HBXSWHFOCOBHIT-FBIMIBRVSA-N 0 3 226.320 0.526 20 0 BCADHN CCNC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000250271521 388172810 /nfs/dbraw/zinc/17/28/10/388172810.db2.gz HBXSWHFOCOBHIT-JMJZKYOTSA-N 0 3 226.320 0.526 20 0 BCADHN CCN(CC)CC(=O)NCc1c[nH]c(=O)[nH]1 ZINC000646279607 388174931 /nfs/dbraw/zinc/17/49/31/388174931.db2.gz NMHRUXZKLDFDJI-UHFFFAOYSA-N 0 3 226.280 0.073 20 0 BCADHN CN(C)c1nccc(CNC(=O)C2(N)CCC2)n1 ZINC000646293384 388177485 /nfs/dbraw/zinc/17/74/85/388177485.db2.gz RCTNVURYSPMGTC-UHFFFAOYSA-N 0 3 249.318 0.040 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCCCC(N)=O ZINC000646298681 388178821 /nfs/dbraw/zinc/17/88/21/388178821.db2.gz AAEMWYYDQPBCQC-VHSXEESVSA-N 0 3 241.335 0.241 20 0 BCADHN CCn1nccc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000646298772 388178874 /nfs/dbraw/zinc/17/88/74/388178874.db2.gz PUMOWVRPXDLIPO-NXEZZACHSA-N 0 3 236.319 0.725 20 0 BCADHN CC[C@@H](O)CC(=O)N1CCC[C@@H]1CN(C)C ZINC000448879377 388117295 /nfs/dbraw/zinc/11/72/95/388117295.db2.gz AETFIYBJLAPTAD-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN COCCN(C)CCNC(=O)NCC[C@H](C)F ZINC000454423956 388117752 /nfs/dbraw/zinc/11/77/52/388117752.db2.gz CFQUXQMMDIRPJH-JTQLQIEISA-N 0 3 249.330 0.612 20 0 BCADHN COC[C@@H](C)CNC(=O)NC[C@H](C)N(C)C ZINC000454457860 388118806 /nfs/dbraw/zinc/11/88/06/388118806.db2.gz VXVYCBDPUGDONQ-UWVGGRQHSA-N 0 3 231.340 0.518 20 0 BCADHN CN(CCN1CCCC1)C(=O)C1CC(C)(O)C1 ZINC000448903975 388119528 /nfs/dbraw/zinc/11/95/28/388119528.db2.gz LLDLXWKNYQAGTG-UHFFFAOYSA-N 0 3 240.347 0.702 20 0 BCADHN CSC[C@@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000454531013 388121575 /nfs/dbraw/zinc/12/15/75/388121575.db2.gz GPQBQSRFLOGTGX-BDAKNGLRSA-N 0 3 233.381 0.987 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCCn1ccnc1 ZINC000162218268 388127350 /nfs/dbraw/zinc/12/73/50/388127350.db2.gz RZYSWQFJONOPTB-JTQLQIEISA-N 0 3 245.348 0.296 20 0 BCADHN Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)no1 ZINC000171584772 388130359 /nfs/dbraw/zinc/13/03/59/388130359.db2.gz UHLDTJLFJVOLSL-JTQLQIEISA-N 0 3 235.287 0.903 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H]1CCCO1 ZINC000646042153 388130740 /nfs/dbraw/zinc/13/07/40/388130740.db2.gz CJJPYMMLNUKPJI-IVZWLZJFSA-N 0 3 201.266 0.169 20 0 BCADHN NC(=O)NC1CCN(CCCF)CC1 ZINC000151554427 388130751 /nfs/dbraw/zinc/13/07/51/388130751.db2.gz QCSRPUWTXBCEAH-UHFFFAOYSA-N 0 3 203.261 0.479 20 0 BCADHN CC(=O)NCCN(C)CC1(C)COC1 ZINC000646045573 388131527 /nfs/dbraw/zinc/13/15/27/388131527.db2.gz JFLHURGENJWWCA-UHFFFAOYSA-N 0 3 200.282 0.091 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@H](C)CO ZINC000162231681 388131690 /nfs/dbraw/zinc/13/16/90/388131690.db2.gz TYGMVGWISSBRLT-IUCAKERBSA-N 0 3 223.338 0.028 20 0 BCADHN COCC[C@@H](C)N(C)CCNC(C)=O ZINC000646045739 388131755 /nfs/dbraw/zinc/13/17/55/388131755.db2.gz ISAXDHPDSKZPBP-SECBINFHSA-N 0 3 202.298 0.479 20 0 BCADHN CC[C@@H]1CN(C)CCCN1C(=O)CC(=O)NC ZINC000646051592 388133731 /nfs/dbraw/zinc/13/37/31/388133731.db2.gz ALBIWUHKEVWAAH-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)C1(OC)CC1 ZINC000648718754 388134331 /nfs/dbraw/zinc/13/43/31/388134331.db2.gz BRIDZHVBNSHSEF-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CN(Cc1ccon1)C(=O)[C@H]1NCC1(C)C ZINC000646057936 388134559 /nfs/dbraw/zinc/13/45/59/388134559.db2.gz SZIASGZSISOSKQ-SECBINFHSA-N 0 3 223.276 0.631 20 0 BCADHN CC(C)[C@@](C)(O)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000162254857 388136472 /nfs/dbraw/zinc/13/64/72/388136472.db2.gz NCTCZAUMOFENCR-MNOVXSKESA-N 0 3 249.376 0.560 20 0 BCADHN CC(C)[C@@](C)(O)CN[C@H]1CCCS(=O)(=O)C1 ZINC000162255029 388137021 /nfs/dbraw/zinc/13/70/21/388137021.db2.gz NCTCZAUMOFENCR-QWRGUYRKSA-N 0 3 249.376 0.560 20 0 BCADHN COCCOC[C@@H](C)NC(=O)C1(N)CCC1 ZINC000646084804 388139465 /nfs/dbraw/zinc/13/94/65/388139465.db2.gz ZZQYDKFUXZDPMR-SECBINFHSA-N 0 3 230.308 0.036 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1CSC[C@H]1C)N(C)C ZINC000454947611 388140982 /nfs/dbraw/zinc/14/09/82/388140982.db2.gz RCVMKDDGIJSHLZ-UTLUCORTSA-N 0 3 245.392 0.987 20 0 BCADHN C[C@@H](CF)NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454949987 388141099 /nfs/dbraw/zinc/14/10/99/388141099.db2.gz FNXWCVHHTHZGEL-LPEHRKFASA-N 0 3 229.299 0.690 20 0 BCADHN CCCN[C@@H](C)C(=O)N[C@@H]1CCCCNC1=O ZINC000449093987 388141573 /nfs/dbraw/zinc/14/15/73/388141573.db2.gz XYRBUWHCXQLUSN-VHSXEESVSA-N 0 3 241.335 0.159 20 0 BCADHN C[C@@H](CF)NC(=O)NC[C@H](C)N(C)C ZINC000454965564 388142829 /nfs/dbraw/zinc/14/28/29/388142829.db2.gz WWVVMLJNEWSZKK-YUMQZZPRSA-N 0 3 205.277 0.594 20 0 BCADHN C[C@@H]1CC2(CN1CC(N)=O)CCOCC2 ZINC000646101892 388143498 /nfs/dbraw/zinc/14/34/98/388143498.db2.gz OSWPPVFIIAVFEN-SECBINFHSA-N 0 3 212.293 0.363 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000449117462 388144440 /nfs/dbraw/zinc/14/44/40/388144440.db2.gz UPHDAANRDIVGGQ-OPRDCNLKSA-N 0 3 225.336 0.336 20 0 BCADHN O=C(C[C@H]1CCCO1)N1CCN2CCC[C@@H]2C1 ZINC000249838990 388150601 /nfs/dbraw/zinc/15/06/01/388150601.db2.gz UUONHQLVIXCTRP-VXGBXAGGSA-N 0 3 238.331 0.862 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000449166480 388151802 /nfs/dbraw/zinc/15/18/02/388151802.db2.gz DCPUDZULGCEEJZ-JOYOIKCWSA-N 0 3 238.331 0.764 20 0 BCADHN CCCN[C@H](C)C(=O)N(CC(N)=O)C(C)C ZINC000449168976 388152029 /nfs/dbraw/zinc/15/20/29/388152029.db2.gz NQTMTYYTDQBAHA-SECBINFHSA-N 0 3 229.324 0.097 20 0 BCADHN C[C@@H](CNC(=O)NC(CF)CF)N(C)C ZINC000455194534 388152557 /nfs/dbraw/zinc/15/25/57/388152557.db2.gz YOSLGDVDVMCJNP-ZETCQYMHSA-N 0 3 223.267 0.543 20 0 BCADHN C[C@H](N)C(=O)N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000646135939 388152626 /nfs/dbraw/zinc/15/26/26/388152626.db2.gz GGLRCRQHKKLZQT-VQVTYTSYSA-N 0 3 240.225 0.512 20 0 BCADHN CS[C@@H](C)CN[C@H]1CCCS(=O)(=O)C1 ZINC000162340266 388154188 /nfs/dbraw/zinc/15/41/88/388154188.db2.gz FBSPZLKGUZEKAR-IUCAKERBSA-N 0 3 237.390 0.905 20 0 BCADHN Cn1nccc1CNCCOCC1CC1 ZINC000165113747 388250020 /nfs/dbraw/zinc/25/00/20/388250020.db2.gz QKAHGNLIWTWBTG-UHFFFAOYSA-N 0 3 209.293 0.936 20 0 BCADHN C[C@@H]1OCC[C@H]1N(CCO)Cc1ccn(C)c1 ZINC000449676469 388251341 /nfs/dbraw/zinc/25/13/41/388251341.db2.gz HHNKVBPBXKRQOB-WCQYABFASA-N 0 3 238.331 0.997 20 0 BCADHN Cn1cccc1CNC[C@]1(O)CCSC1 ZINC000165132743 388251366 /nfs/dbraw/zinc/25/13/66/388251366.db2.gz SHFVUKQNDOMSQS-LLVKDONJSA-N 0 3 226.345 0.983 20 0 BCADHN CC(C)OCC(=O)N[C@H](C)CN(C)C ZINC000165123508 388251433 /nfs/dbraw/zinc/25/14/33/388251433.db2.gz DPPDWQIMHPUINJ-SECBINFHSA-N 0 3 202.298 0.478 20 0 BCADHN CC[C@@H](CO)NCc1cnc2cnccn12 ZINC000165212460 388252340 /nfs/dbraw/zinc/25/23/40/388252340.db2.gz ANYTXFQUYYPNJB-VIFPVBQESA-N 0 3 220.276 0.590 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000490922374 388260711 /nfs/dbraw/zinc/26/07/11/388260711.db2.gz CLYZCLDYCSTYSV-MWLCHTKSSA-N 0 3 241.335 0.084 20 0 BCADHN CN(C)CCNC(=O)NCC1CC(F)(F)C1 ZINC000490829476 388256445 /nfs/dbraw/zinc/25/64/45/388256445.db2.gz UUGMMFJNDIDJTQ-UHFFFAOYSA-N 0 3 235.278 0.893 20 0 BCADHN CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000646303994 388189060 /nfs/dbraw/zinc/18/90/60/388189060.db2.gz GTVFARNAQJIINK-KXUCPTDWSA-N 0 3 241.335 0.110 20 0 BCADHN C[C@H](CN1CC[C@H](CO)[C@H]1C)CS(C)(=O)=O ZINC000488746557 388193091 /nfs/dbraw/zinc/19/30/91/388193091.db2.gz NFRCUGFIWRBEJE-GMTAPVOTSA-N 0 3 249.376 0.370 20 0 BCADHN CN(C(=O)c1ccncn1)[C@H]1CCN(C2CC2)C1 ZINC000488822187 388196640 /nfs/dbraw/zinc/19/66/40/388196640.db2.gz WDSFJEJUWGILDR-NSHDSACASA-N 0 3 246.314 0.785 20 0 BCADHN CCC[C@@H](C(=O)NCCC1(CO)CC1)N(C)C ZINC000456439625 388201403 /nfs/dbraw/zinc/20/14/03/388201403.db2.gz SZWUAMZAIFCFQI-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)[C@@H](C)OC)N(C)C ZINC000461284529 388258860 /nfs/dbraw/zinc/25/88/60/388258860.db2.gz PWGPBKIVXWWYND-BBBLOLIVSA-N 0 3 216.325 0.866 20 0 BCADHN Cc1n[nH]c(C)c1CN[C@H](C)C[S@@](C)=O ZINC000164281926 388202114 /nfs/dbraw/zinc/20/21/14/388202114.db2.gz JZOOXSQTDCTATL-MLXNANBUSA-N 0 3 229.349 0.883 20 0 BCADHN CCOC[C@H](C)NC(=O)NCCN(C)C1CC1 ZINC000489069918 388203383 /nfs/dbraw/zinc/20/33/83/388203383.db2.gz JUWBHVNLDVQQIY-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN COC[C@@H](CCO)NCc1cccn1C ZINC000164296030 388206352 /nfs/dbraw/zinc/20/63/52/388206352.db2.gz FLAFPJSYQFAEDO-SNVBAGLBSA-N 0 3 212.293 0.512 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1N[C@H]1CCCNC1=O ZINC000449436709 388206626 /nfs/dbraw/zinc/20/66/26/388206626.db2.gz JEBOCUYYDHVVDY-DLOVCJGASA-N 0 3 237.347 0.337 20 0 BCADHN CN(C(=O)CN1CC[C@](O)(C2CC2)C1)C1CC1 ZINC000489278477 388206682 /nfs/dbraw/zinc/20/66/82/388206682.db2.gz KPSALNBEJMBVAB-CYBMUJFWSA-N 0 3 238.331 0.454 20 0 BCADHN CCCNS(=O)(=O)NCCN(CC)C1CC1 ZINC000489244734 388206736 /nfs/dbraw/zinc/20/67/36/388206736.db2.gz GVEUSDHZOXBUOU-UHFFFAOYSA-N 0 3 249.380 0.305 20 0 BCADHN C[C@H]1C[C@@H](N[C@H]2CCCNC2=O)CN1C1CC1 ZINC000449440521 388206961 /nfs/dbraw/zinc/20/69/61/388206961.db2.gz ZXEYNTALZUGXKQ-UMNHJUIQSA-N 0 3 237.347 0.480 20 0 BCADHN CC[C@@H](O)[C@@H](CC)NC(=O)CN(CC)CC ZINC000456569430 388208755 /nfs/dbraw/zinc/20/87/55/388208755.db2.gz BFBBNAAXDZXDDG-GHMZBOCLSA-N 0 3 230.352 0.994 20 0 BCADHN COC[C@@H](CCO)NCc1ccncc1 ZINC000164301917 388211201 /nfs/dbraw/zinc/21/12/01/388211201.db2.gz YHRRUTMZGLKOAJ-LLVKDONJSA-N 0 3 210.277 0.569 20 0 BCADHN COCCN(C[C@H](O)COC)[C@H]1CCO[C@H]1C ZINC000489406196 388212264 /nfs/dbraw/zinc/21/22/64/388212264.db2.gz OFMNXKXRMQGATA-SRVKXCTJSA-N 0 3 247.335 0.120 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CC)[C@@H](O)CC ZINC000456709388 388216491 /nfs/dbraw/zinc/21/64/91/388216491.db2.gz LULKCBPKYJUZJW-MNOVXSKESA-N 0 3 230.352 0.994 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CCCCN2C)CCN1 ZINC000646320609 388221316 /nfs/dbraw/zinc/22/13/16/388221316.db2.gz JCBZRXBRAYCVTP-GHMZBOCLSA-N 0 3 225.336 0.291 20 0 BCADHN C[C@@H](CNC(=O)[C@@H](O)C1CCC1)N(C)C ZINC000449521459 388223313 /nfs/dbraw/zinc/22/33/13/388223313.db2.gz RRCVBSOZRHUOBW-WPRPVWTQSA-N 0 3 214.309 0.214 20 0 BCADHN CCC[C@@H](C(=O)NC[C@@H](O)C1CCC1)N(C)C ZINC000456854845 388227890 /nfs/dbraw/zinc/22/78/90/388227890.db2.gz GJCRCMDUOXHDGQ-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@@H](NCc1ccnc(N(C)C)n1)[C@@H](C)O ZINC000449543906 388228007 /nfs/dbraw/zinc/22/80/07/388228007.db2.gz PDZBXYHTBQLESE-MWLCHTKSSA-N 0 3 238.335 0.792 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000489980179 388230156 /nfs/dbraw/zinc/23/01/56/388230156.db2.gz IJAWVJDMNLGFLT-GARJFASQSA-N 0 3 243.351 0.539 20 0 BCADHN COCCN(C[C@@H](O)CSC)[C@@H]1CCOC1 ZINC000490032825 388231144 /nfs/dbraw/zinc/23/11/44/388231144.db2.gz CHLZRLMVNCMYKM-GHMZBOCLSA-N 0 3 249.376 0.448 20 0 BCADHN COCCN(CCC(=O)N(C)C)[C@H]1CCOC1 ZINC000490036745 388231439 /nfs/dbraw/zinc/23/14/39/388231439.db2.gz DYXLNBJNXYSKCL-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN COCCN(C[C@H](O)CSC)[C@@H]1CCOC1 ZINC000490032826 388231462 /nfs/dbraw/zinc/23/14/62/388231462.db2.gz CHLZRLMVNCMYKM-MNOVXSKESA-N 0 3 249.376 0.448 20 0 BCADHN COCCN(C[C@H](O)CSC)[C@H]1CCOC1 ZINC000490032827 388231594 /nfs/dbraw/zinc/23/15/94/388231594.db2.gz CHLZRLMVNCMYKM-QWRGUYRKSA-N 0 3 249.376 0.448 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000490132567 388235072 /nfs/dbraw/zinc/23/50/72/388235072.db2.gz JIEDYHOBSBRRJV-VHSXEESVSA-N 0 3 235.287 0.067 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000490203291 388235884 /nfs/dbraw/zinc/23/58/84/388235884.db2.gz NWPBWEWGRTVZJD-UWVGGRQHSA-N 0 3 241.335 0.228 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc(CNC(N)=O)cc1 ZINC000490182049 388235968 /nfs/dbraw/zinc/23/59/68/388235968.db2.gz SRLSSEIQCNJYJN-SSDOTTSWSA-N 0 3 236.275 0.141 20 0 BCADHN CCCC[C@H](N)C(=O)N1CCNC[C@@](C)(F)C1 ZINC000449576284 388236724 /nfs/dbraw/zinc/23/67/24/388236724.db2.gz RIUWJAQWDYQMHB-CMPLNLGQSA-N 0 3 245.342 0.664 20 0 BCADHN CCCC[C@H](N)C(=O)N1CCNC[C@](C)(F)C1 ZINC000449576285 388237057 /nfs/dbraw/zinc/23/70/57/388237057.db2.gz RIUWJAQWDYQMHB-JQWIXIFHSA-N 0 3 245.342 0.664 20 0 BCADHN CC[C@@H]1CCN1C(=O)NCCOCCN(C)C ZINC000490249115 388237256 /nfs/dbraw/zinc/23/72/56/388237256.db2.gz PGDHAKUFVRXZJR-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN CCN(CCO)C[C@@H](O)COCC(C)C ZINC000192950777 388247752 /nfs/dbraw/zinc/24/77/52/388247752.db2.gz FABQHXZJLQJVGD-LLVKDONJSA-N 0 3 219.325 0.334 20 0 BCADHN CCc1nc(CN2C[C@@H]3CCN(C)[C@@H]3C2)no1 ZINC000451624153 388285577 /nfs/dbraw/zinc/28/55/77/388285577.db2.gz ABAIKZKFCMIKSV-VHSXEESVSA-N 0 3 236.319 0.768 20 0 BCADHN CCOC(=O)[C@H](C)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451635308 388286472 /nfs/dbraw/zinc/28/64/72/388286472.db2.gz SZPNDWNQURNRNG-GARJFASQSA-N 0 3 226.320 0.574 20 0 BCADHN COC[C@@]1(C(=O)N[C@@H](C)CN(C)C)CCOC1 ZINC000451755715 388292836 /nfs/dbraw/zinc/29/28/36/388292836.db2.gz FTLSDBAQTPHFDQ-JQWIXIFHSA-N 0 3 244.335 0.106 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CSC1CC1 ZINC000451757860 388293974 /nfs/dbraw/zinc/29/39/74/388293974.db2.gz IPZMVYHWPISOMB-QMMMGPOBSA-N 0 3 216.350 0.948 20 0 BCADHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(N)=O ZINC000451795385 388296809 /nfs/dbraw/zinc/29/68/09/388296809.db2.gz ZGBPHYBLCXSQPQ-HLTSFMKQSA-N 0 3 228.292 0.182 20 0 BCADHN Cc1cc(CNC(=O)/C=C\CN(C)C)on1 ZINC000491687490 388310927 /nfs/dbraw/zinc/31/09/27/388310927.db2.gz WRQCIELAQPQDTQ-PLNGDYQASA-N 0 3 223.276 0.717 20 0 BCADHN CN(C)C/C=C/C(=O)NCCc1ncc[nH]1 ZINC000492041015 388332666 /nfs/dbraw/zinc/33/26/66/388332666.db2.gz MOKCHPYMTUAGEU-ONEGZZNKSA-N 0 3 222.292 0.186 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)C[C@@H]1CCOC1 ZINC000492051085 388332761 /nfs/dbraw/zinc/33/27/61/388332761.db2.gz QWAHNZMBFJNLIK-WYGGZMRJSA-N 0 3 226.320 0.599 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@]1(O)CCSC1 ZINC000492047232 388332920 /nfs/dbraw/zinc/33/29/20/388332920.db2.gz YOYFLMWLVJKUGP-DLRQAJBASA-N 0 3 244.360 0.088 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)Cc1cnccn1 ZINC000491841580 388324309 /nfs/dbraw/zinc/32/43/09/388324309.db2.gz CINAYTPUZHIYJY-SNAWJCMRSA-N 0 3 234.303 0.553 20 0 BCADHN CCN(CC(=O)OC)C(=O)/C=C\CN(C)C ZINC000491842206 388324450 /nfs/dbraw/zinc/32/44/50/388324450.db2.gz DOOQNLYTSMZZSV-SREVYHEPSA-N 0 3 228.292 0.126 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)/C=C\CN(C)C ZINC000491844061 388324679 /nfs/dbraw/zinc/32/46/79/388324679.db2.gz HGZYBQSKYHVDEX-UDIARPCQSA-N 0 3 228.292 0.172 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCCn2nccc21 ZINC000491845891 388324776 /nfs/dbraw/zinc/32/47/76/388324776.db2.gz KMGDACRECDPYRF-HYXAFXHYSA-N 0 3 234.303 0.738 20 0 BCADHN CN(C)C/C=C/C(=O)NCc1cc[nH]n1 ZINC000491848198 388324791 /nfs/dbraw/zinc/32/47/91/388324791.db2.gz SOCBZKZGLHQVFS-ONEGZZNKSA-N 0 3 208.265 0.144 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)Cc1ncc[nH]1 ZINC000491863269 388325364 /nfs/dbraw/zinc/32/53/64/388325364.db2.gz DATHXQHNZQVHNP-SNAWJCMRSA-N 0 3 222.292 0.486 20 0 BCADHN CC(C)NC(=O)CN(C)C(=O)/C=C\CN(C)C ZINC000491865629 388325378 /nfs/dbraw/zinc/32/53/78/388325378.db2.gz HVOJZODRRLMAGC-SREVYHEPSA-N 0 3 241.335 0.087 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C\CN(C)C)CCCO1 ZINC000491873008 388325420 /nfs/dbraw/zinc/32/54/20/388325420.db2.gz SOEVCXNXOBWFIV-VLWUPBBWSA-N 0 3 226.320 0.742 20 0 BCADHN C[C@@H]1CN(C)CCN1C(=O)/C=C/CN(C)C ZINC000491869764 388325499 /nfs/dbraw/zinc/32/54/99/388325499.db2.gz NMXVTISRUGEUNA-MVIFTORASA-N 0 3 225.336 0.267 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@H]1CCCCO1 ZINC000491873503 388325570 /nfs/dbraw/zinc/32/55/70/388325570.db2.gz UQBPDIHAZYXUIX-JPVGGKMYSA-N 0 3 226.320 0.790 20 0 BCADHN COC(=O)[C@@H]1CCN(C(=O)/C=C\CN(C)C)C1 ZINC000491874980 388325714 /nfs/dbraw/zinc/32/57/14/388325714.db2.gz XHJOGOKAHWGUFR-UMCURTJPSA-N 0 3 240.303 0.126 20 0 BCADHN CCOC(=O)CCCNC(=O)/C=C\CN(C)C ZINC000491881846 388326026 /nfs/dbraw/zinc/32/60/26/388326026.db2.gz HLKIDBJWNUWHMQ-SREVYHEPSA-N 0 3 242.319 0.564 20 0 BCADHN CC(C)NC(=O)CCNC(=O)/C=C\CN(C)C ZINC000491882286 388326190 /nfs/dbraw/zinc/32/61/90/388326190.db2.gz IOLCFOBFCLDYSU-WAYWQWQTSA-N 0 3 241.335 0.135 20 0 BCADHN CC[C@H]1COCCN1C(=O)/C=C\CN(C)C ZINC000491901739 388327017 /nfs/dbraw/zinc/32/70/17/388327017.db2.gz AFULCNXMWPUNAX-GZTOBOFZSA-N 0 3 226.320 0.742 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)/C=C\CN(C)C ZINC000491913236 388327692 /nfs/dbraw/zinc/32/76/92/388327692.db2.gz KTJOYMUEJXXXHO-ISALQUGTSA-N 0 3 228.336 0.627 20 0 BCADHN COCCN1CC[C@H](NC(=O)/C=C/C2CC2)C1 ZINC000491930226 388328349 /nfs/dbraw/zinc/32/83/49/388328349.db2.gz WCXDRQXZSDELDU-ITKZLYELSA-N 0 3 238.331 0.790 20 0 BCADHN COCCOC[C@H](C)NC(=O)/C=C/CN(C)C ZINC000491947418 388329192 /nfs/dbraw/zinc/32/91/92/388329192.db2.gz YQOXJRULVOMHJK-QRGHLMKCSA-N 0 3 244.335 0.272 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@@H]1CCCC1=O ZINC000491984621 388330618 /nfs/dbraw/zinc/33/06/18/388330618.db2.gz QGSUXYLOGLIERB-QBBOHKLWSA-N 0 3 224.304 0.590 20 0 BCADHN Cn1cc(CN[C@@H]2C[C@@H](O)C2(C)C)cn1 ZINC000163349900 388262657 /nfs/dbraw/zinc/26/26/57/388262657.db2.gz VENMILCRKWVAGP-NXEZZACHSA-N 0 3 209.293 0.669 20 0 BCADHN COCCN1CC[C@](COC)(C(=O)OC)C1 ZINC000451326861 388262985 /nfs/dbraw/zinc/26/29/85/388262985.db2.gz FDHQZLMOLZUKCD-NSHDSACASA-N 0 3 231.292 0.144 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)/C=C\c2ccc[nH]2)C1 ZINC000491997452 388330917 /nfs/dbraw/zinc/33/09/17/388330917.db2.gz FQJDULPDFWWWGQ-DSYXLKISSA-N 0 3 249.314 0.211 20 0 BCADHN C[C@@]12CN(CC(N)=O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451377950 388267979 /nfs/dbraw/zinc/26/79/79/388267979.db2.gz XYFXEERMWKIHFM-WDCWCFNPSA-N 0 3 206.289 0.616 20 0 BCADHN CO[C@H](C)CN1CC[C@@](O)(C(F)F)C1 ZINC000451426699 388272206 /nfs/dbraw/zinc/27/22/06/388272206.db2.gz IMJUFLFIDPXMHP-APPZFPTMSA-N 0 3 209.236 0.723 20 0 BCADHN CC1(CN2CC[C@](O)(C(F)F)C2)COC1 ZINC000451434332 388272833 /nfs/dbraw/zinc/27/28/33/388272833.db2.gz PWUHFTXODKFGEC-SNVBAGLBSA-N 0 3 221.247 0.725 20 0 BCADHN C[C@H]1CN(C(=O)/C=C\CN(C)C)CCC1=O ZINC000492005930 388331217 /nfs/dbraw/zinc/33/12/17/388331217.db2.gz UUZRJOQESJFEBZ-LWTINBJPSA-N 0 3 224.304 0.542 20 0 BCADHN CN(C)c1ncc(CN[C@H]2CCC[C@@H]2O)n1C ZINC000323701678 388274062 /nfs/dbraw/zinc/27/40/62/388274062.db2.gz RABKTIRUGMFDSS-QWRGUYRKSA-N 0 3 238.335 0.489 20 0 BCADHN CCOCCCN1CC(C)(C(N)=O)C1 ZINC000645957614 388275417 /nfs/dbraw/zinc/27/54/17/388275417.db2.gz HZRJDONFYJNZTG-UHFFFAOYSA-N 0 3 200.282 0.220 20 0 BCADHN CCO[C@H]1CCN(CC(=O)N(C)C)C[C@H]1C ZINC000451523702 388278849 /nfs/dbraw/zinc/27/88/49/388278849.db2.gz JWXSHEXIJAHMFJ-MNOVXSKESA-N 0 3 228.336 0.822 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)nn1C ZINC000334144481 177760010 /nfs/dbraw/zinc/76/00/10/177760010.db2.gz HLEPWNMCARMGNC-UWVGGRQHSA-N 0 3 236.319 0.551 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@@H](O)c1ccccn1 ZINC000492315377 388341091 /nfs/dbraw/zinc/34/10/91/388341091.db2.gz BCZYVGGQHNUPEP-HOSRBBHYSA-N 0 3 249.314 0.349 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@]1(C)CCCOC1 ZINC000492340250 388341808 /nfs/dbraw/zinc/34/18/08/388341808.db2.gz FKUFHKZXIQYSLY-FUEXJSSKSA-N 0 3 226.320 0.790 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@]1(C)CCCOC1 ZINC000492340252 388341889 /nfs/dbraw/zinc/34/18/89/388341889.db2.gz FKUFHKZXIQYSLY-FVOPLDGLSA-N 0 3 226.320 0.790 20 0 BCADHN CC(C)[C@H]1CN(C(=O)/C=C\CN(C)C)CCO1 ZINC000492340645 388342107 /nfs/dbraw/zinc/34/21/07/388342107.db2.gz QUMVDXLBQMYLLM-FOQNGQEVSA-N 0 3 240.347 0.988 20 0 BCADHN CN(C)C/C=C/C(=O)NC1(CO)CCCC1 ZINC000492382064 388343066 /nfs/dbraw/zinc/34/30/66/388343066.db2.gz VRGCMTLVMIYWGX-AATRIKPKSA-N 0 3 226.320 0.526 20 0 BCADHN CCN(C)CCNC(=O)/C=C\c1ccncn1 ZINC000492397559 388343528 /nfs/dbraw/zinc/34/35/28/388343528.db2.gz ZWYGNDPVNREZOL-PLNGDYQASA-N 0 3 234.303 0.558 20 0 BCADHN CSC[C@H](O)CN1C[C@H](C)N(C)C[C@H]1C ZINC000492434971 388344423 /nfs/dbraw/zinc/34/44/23/388344423.db2.gz DJTKNJJPJLPVAE-HBNTYKKESA-N 0 3 232.393 0.735 20 0 BCADHN CO[C@H](CN[C@H]1CCCN(C)C1=O)C1CC1 ZINC000642650694 388345086 /nfs/dbraw/zinc/34/50/86/388345086.db2.gz WHFHOJIUGPOXCR-WDEREUQCSA-N 0 3 226.320 0.622 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000302832353 388345373 /nfs/dbraw/zinc/34/53/73/388345373.db2.gz HIPNKQASXKDBHG-JTQLQIEISA-N 0 3 241.335 0.051 20 0 BCADHN COCCn1cc(CNC[C@@H](C)OC)cn1 ZINC000276244329 388348348 /nfs/dbraw/zinc/34/83/48/388348348.db2.gz VAKULHNUPOILMF-SNVBAGLBSA-N 0 3 227.308 0.654 20 0 BCADHN CC(C)[C@@H](N)c1cn(C[C@@H](O)C(C)C)nn1 ZINC000300891308 388348340 /nfs/dbraw/zinc/34/83/40/388348340.db2.gz ONWHMIJAJHXFIF-GHMZBOCLSA-N 0 3 226.324 0.951 20 0 BCADHN CNCC(=O)N[C@H](c1ncc[nH]1)C(C)C ZINC000516568533 388349013 /nfs/dbraw/zinc/34/90/13/388349013.db2.gz KFRFSENRDBILSM-VIFPVBQESA-N 0 3 210.281 0.442 20 0 BCADHN CC(=O)NCCN(C)CCOC[C@@H]1CCCO1 ZINC000516568281 388349054 /nfs/dbraw/zinc/34/90/54/388349054.db2.gz VKJVONMIMUGUNO-LBPRGKRZSA-N 0 3 244.335 0.250 20 0 BCADHN CS(=O)(=O)NCCN1C[C@@H]2CCC[C@H]2C1 ZINC000153002835 388349175 /nfs/dbraw/zinc/34/91/75/388349175.db2.gz JSUZVCBYCRYPLK-UWVGGRQHSA-N 0 3 232.349 0.268 20 0 BCADHN CO[C@H](CN)C(=O)Nc1c[nH]c(=O)cc1C ZINC000516568055 388349542 /nfs/dbraw/zinc/34/95/42/388349542.db2.gz PJGDCAYUYNBVDR-MRVPVSSYSA-N 0 3 225.248 0.008 20 0 BCADHN COC1(C(=O)N(C)C[C@@H]2CCCN(C)C2)CC1 ZINC000648786103 388355521 /nfs/dbraw/zinc/35/55/21/388355521.db2.gz PUTSQDSJHJVYAH-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN C[NH2+][C@@H](C)CNC(=O)c1ccc(OC)cc1[O-] ZINC000234428125 388355630 /nfs/dbraw/zinc/35/56/30/388355630.db2.gz LRNVBSTWSCXWHY-QMMMGPOBSA-N 0 3 238.287 0.739 20 0 BCADHN CN(C[C@@H]1CCCOC1)C(=O)[C@@H]1NCC1(C)C ZINC000646432071 388358103 /nfs/dbraw/zinc/35/81/03/388358103.db2.gz JJESRFPUVKDPKD-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN O=C(CNC[C@H]1CCCO1)NCc1ccno1 ZINC000646439068 388359174 /nfs/dbraw/zinc/35/91/74/388359174.db2.gz UNUYKWBQYUDKDR-SECBINFHSA-N 0 3 239.275 0.059 20 0 BCADHN COC[C@H](CO)NCc1ccsc1 ZINC000234797377 388359750 /nfs/dbraw/zinc/35/97/50/388359750.db2.gz MKQLTENFAVADKO-VIFPVBQESA-N 0 3 201.291 0.845 20 0 BCADHN CC(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000646446044 388359789 /nfs/dbraw/zinc/35/97/89/388359789.db2.gz FIRFAZJMEPFOGP-QWRGUYRKSA-N 0 3 212.293 0.328 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@@H]1NCC1(C)C ZINC000646442770 388359951 /nfs/dbraw/zinc/35/99/51/388359951.db2.gz WENGHZLMTMNKFW-GUBZILKMSA-N 0 3 228.336 0.508 20 0 BCADHN CC(C)C(=O)N1CCOC[C@@H]1[C@H]1CCCN1C ZINC000646450062 388360046 /nfs/dbraw/zinc/36/00/46/388360046.db2.gz STLLIPWBCDHOQT-VXGBXAGGSA-N 0 3 240.347 0.964 20 0 BCADHN O=C1NCC[C@H]1CCN1CC[C@](O)(C(F)F)C1 ZINC000572613937 388361026 /nfs/dbraw/zinc/36/10/26/388361026.db2.gz RCTNIFNZKMDUMA-GZMMTYOYSA-N 0 3 248.273 0.215 20 0 BCADHN CC(C)(C)C[C@@H](O)CNC(=O)[C@H]1NCC1(C)C ZINC000646463932 388362128 /nfs/dbraw/zinc/36/21/28/388362128.db2.gz LXCORRUBSBOABK-NXEZZACHSA-N 0 3 242.363 0.898 20 0 BCADHN CCN(CC)C(=O)CN[C@@H]1C[C@H](O)C1(C)C ZINC000163417335 388362526 /nfs/dbraw/zinc/36/25/26/388362526.db2.gz CNVFXEULKVLFIH-ZJUUUORDSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1nc(C)c(CNC(=O)[C@@H]2NCC2(C)C)o1 ZINC000646470572 388362784 /nfs/dbraw/zinc/36/27/84/388362784.db2.gz DQTUBKRUPUMOGK-JTQLQIEISA-N 0 3 237.303 0.906 20 0 BCADHN COCCCN(C)CCNC(=O)C1(OC)CC1 ZINC000648796014 388366432 /nfs/dbraw/zinc/36/64/32/388366432.db2.gz LMHPTSQHZVEQSP-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN COC1(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000648796058 388366666 /nfs/dbraw/zinc/36/66/66/388366666.db2.gz NNTWIQMMKZWRFL-NXEZZACHSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1CCCN(CC(=O)NC2CC2)[C@H]1CO ZINC000305168203 388366749 /nfs/dbraw/zinc/36/67/49/388366749.db2.gz INMPZZJOMLXBAK-KOLCDFICSA-N 0 3 226.320 0.358 20 0 BCADHN COC[C@H](C)CN1CCNC[C@@H]1C(F)F ZINC000309607768 388368594 /nfs/dbraw/zinc/36/85/94/388368594.db2.gz YJOYGKSDVLTLAN-RKDXNWHRSA-N 0 3 222.279 0.808 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCOC1)N(C)C ZINC000163866731 388368650 /nfs/dbraw/zinc/36/86/50/388368650.db2.gz ORLGMDPFUFLWNN-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN O=C(Nc1nncs1)[C@]12C[C@H]1CCN2 ZINC000519383776 256647227 /nfs/dbraw/zinc/64/72/27/256647227.db2.gz FSWJWVQQIYCFPL-XRGYYRRGSA-N 0 3 210.262 0.229 20 0 BCADHN C[C@H](O)CNCc1c[nH]c2nccnc12 ZINC000290821842 388370509 /nfs/dbraw/zinc/37/05/09/388370509.db2.gz HCTAQSLVDGHJRQ-ZETCQYMHSA-N 0 3 206.249 0.428 20 0 BCADHN CC(C)OC(=O)CCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000572747174 388371850 /nfs/dbraw/zinc/37/18/50/388371850.db2.gz XMCYZMGYPPSQQY-QWRGUYRKSA-N 0 3 245.319 0.003 20 0 BCADHN C[C@@H]1[C@H](O)CCN1Cc1ccc2c(c1)nnn2C ZINC000648800456 388371842 /nfs/dbraw/zinc/37/18/42/388371842.db2.gz CJFPICNCSMJBIZ-NOZJJQNGSA-N 0 3 246.314 0.923 20 0 BCADHN CC(C)NC(=O)NCCN1C[C@@H](O)C[C@H]1C ZINC000572757589 388373693 /nfs/dbraw/zinc/37/36/93/388373693.db2.gz RDXCSZHBONYKGD-ZJUUUORDSA-N 0 3 229.324 0.149 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2cnccn2)C1 ZINC000524721294 388377148 /nfs/dbraw/zinc/37/71/48/388377148.db2.gz KWHRWAFXWGHMNN-SNVBAGLBSA-N 0 3 234.303 0.548 20 0 BCADHN CC(C)N(C)CC(=O)NCCN1CC[C@H](C)C1 ZINC000524720921 388377568 /nfs/dbraw/zinc/37/75/68/388377568.db2.gz MTWXWQAXAWNALT-LBPRGKRZSA-N 0 3 241.379 0.785 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2nccnc2N)C1 ZINC000524720859 388377729 /nfs/dbraw/zinc/37/77/29/388377729.db2.gz HEALTKDYJXGILV-SECBINFHSA-N 0 3 249.318 0.130 20 0 BCADHN Cn1ccnc1CNC[C@@H]1CC[C@@H](O)C1 ZINC000236085643 388377737 /nfs/dbraw/zinc/37/77/37/388377737.db2.gz WCXWPNLSVWMRFK-NXEZZACHSA-N 0 3 209.293 0.671 20 0 BCADHN OC[C@H]1CN(CCOc2ccccc2)C[C@H]1O ZINC000316063991 388405714 /nfs/dbraw/zinc/40/57/14/388405714.db2.gz HKSBNSYTUOEQMK-DGCLKSJQSA-N 0 3 237.299 0.350 20 0 BCADHN Cn1ccc(CNC[C@@H]2CC[C@H](O)C2)n1 ZINC000236101538 388378141 /nfs/dbraw/zinc/37/81/41/388378141.db2.gz HDRPRWCLOHBELC-KOLCDFICSA-N 0 3 209.293 0.671 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)[C@H](N)CC(C)C ZINC000646551367 388379968 /nfs/dbraw/zinc/37/99/68/388379968.db2.gz SYIOTNIESJFKOJ-IVZWLZJFSA-N 0 3 216.325 0.899 20 0 BCADHN C[C@@H](CO)NCc1cnn(CC(F)F)c1 ZINC000292486724 388381579 /nfs/dbraw/zinc/38/15/79/388381579.db2.gz BEOQZLOTKSMJJC-ZETCQYMHSA-N 0 3 219.235 0.619 20 0 BCADHN CC(C)[C@H](NC(=O)CN)c1nnc2ccccn21 ZINC000236685062 388381861 /nfs/dbraw/zinc/38/18/61/388381861.db2.gz PEVRJRDKDYCDPK-NSHDSACASA-N 0 3 247.302 0.501 20 0 BCADHN CC(=O)N1CC(N[C@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000572855939 388381946 /nfs/dbraw/zinc/38/19/46/388381946.db2.gz SGVBSMOKSDUKPL-KOLCDFICSA-N 0 3 237.347 0.432 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CCN[C@H](C)C1 ZINC000236700253 388382642 /nfs/dbraw/zinc/38/26/42/388382642.db2.gz ZHTJUDNPMLIVDL-NXEZZACHSA-N 0 3 213.325 0.324 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)C[C@@H]1CCOC1 ZINC000236691436 388382648 /nfs/dbraw/zinc/38/26/48/388382648.db2.gz DMMLFCBNYXNCCM-WDEREUQCSA-N 0 3 228.336 0.999 20 0 BCADHN CC[C@H](N)c1cn(C[C@H](O)C(C)C)nn1 ZINC000300913338 388383457 /nfs/dbraw/zinc/38/34/57/388383457.db2.gz SDKATMFECVQXRK-WPRPVWTQSA-N 0 3 212.297 0.705 20 0 BCADHN C[C@H](CO)CNCc1cnn(CC(F)F)c1 ZINC000292891206 388384797 /nfs/dbraw/zinc/38/47/97/388384797.db2.gz DOTBKOCBNWCNJW-QMMMGPOBSA-N 0 3 233.262 0.866 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)C(C)(C)N ZINC000236864741 388384994 /nfs/dbraw/zinc/38/49/94/388384994.db2.gz CIXHJWDARNGSJH-SFYZADRCSA-N 0 3 202.298 0.247 20 0 BCADHN CCOC(=O)CC[C@H](C)NC(=O)[C@@H](N)CC ZINC000236825265 388385108 /nfs/dbraw/zinc/38/51/08/388385108.db2.gz KJJVQEPSDHKBNQ-IUCAKERBSA-N 0 3 230.308 0.572 20 0 BCADHN CCOC(=O)N[C@@H](CNC(=O)CN)CC(C)C ZINC000236908880 388386134 /nfs/dbraw/zinc/38/61/34/388386134.db2.gz COYZBCDAJNENLT-SECBINFHSA-N 0 3 245.323 0.222 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](O)C(C)(C)C ZINC000236905052 388386145 /nfs/dbraw/zinc/38/61/45/388386145.db2.gz WPUYJXXLPYVMNX-JGVFFNPUSA-N 0 3 202.298 0.247 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)CC ZINC000236877922 388386254 /nfs/dbraw/zinc/38/62/54/388386254.db2.gz KNUYNTOHCWEVOG-HLTSFMKQSA-N 0 3 229.324 0.143 20 0 BCADHN CC[C@H](N)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000236971440 388386625 /nfs/dbraw/zinc/38/66/25/388386625.db2.gz FOELDZARYBKJMT-VIFPVBQESA-N 0 3 246.274 0.338 20 0 BCADHN COC(=O)[C@](C)(O)CN[C@@H](C)c1cccnc1 ZINC000228637203 388386751 /nfs/dbraw/zinc/38/67/51/388386751.db2.gz KJDLUJLNACKSSX-JOYOIKCWSA-N 0 3 238.287 0.656 20 0 BCADHN CC[C@@H](COC)NC(=O)CNC[C@H]1CCCO1 ZINC000237006786 388388845 /nfs/dbraw/zinc/38/88/45/388388845.db2.gz DOCGOPZHFFMLOA-WDEREUQCSA-N 0 3 244.335 0.296 20 0 BCADHN CC[C@@H](C)CS(=O)(=O)N[C@@H]1CCCNC1 ZINC000237017673 388389038 /nfs/dbraw/zinc/38/90/38/388389038.db2.gz MBNJAUWAECEUEC-NXEZZACHSA-N 0 3 234.365 0.704 20 0 BCADHN CC(=O)N[C@H](C)C(=O)Nc1cccc(CN)c1 ZINC000646580886 388389967 /nfs/dbraw/zinc/38/99/67/388389967.db2.gz RYCSCSYGFQNUSA-MRVPVSSYSA-N 0 3 235.287 0.608 20 0 BCADHN COCC[C@@H](C)NC(=O)CNC[C@H]1CCCO1 ZINC000237100657 388390129 /nfs/dbraw/zinc/39/01/29/388390129.db2.gz ZYUDCUVCUCSHDI-GHMZBOCLSA-N 0 3 244.335 0.296 20 0 BCADHN COc1ccccc1[C@@H](N)CNC(=O)[C@H](C)N ZINC000646600430 388393390 /nfs/dbraw/zinc/39/33/90/388393390.db2.gz LYIOQPQVCBJRQQ-WPRPVWTQSA-N 0 3 237.303 0.158 20 0 BCADHN C[C@@H](O)CC(C)(C)CNC(=O)C(C)(C)N ZINC000237379449 388394007 /nfs/dbraw/zinc/39/40/07/388394007.db2.gz DHMWXJPIPXQBTH-MRVPVSSYSA-N 0 3 216.325 0.637 20 0 BCADHN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)CN ZINC000237381023 388394077 /nfs/dbraw/zinc/39/40/77/388394077.db2.gz IDEXAAWOBSLSOY-PELKAZGASA-N 0 3 204.273 0.995 20 0 BCADHN CSC[C@@H](C)NC(=O)CNC[C@@H]1CCCO1 ZINC000237359284 388394298 /nfs/dbraw/zinc/39/42/98/388394298.db2.gz KPSGNERUQWRZMR-ZJUUUORDSA-N 0 3 246.376 0.623 20 0 BCADHN C[C@@H]1COCCN1C(=O)CNC[C@H]1CCCO1 ZINC000237461227 388395203 /nfs/dbraw/zinc/39/52/03/388395203.db2.gz SILZTCJYSCSNQW-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN CC(C)[C@@H](N)c1cn(Cc2ccno2)nn1 ZINC000300842469 388397155 /nfs/dbraw/zinc/39/71/55/388397155.db2.gz DJSICUYENTZWMK-SNVBAGLBSA-N 0 3 221.264 0.970 20 0 BCADHN C[C@H]1OCC[C@H]1NCC(=O)NCC1CC1 ZINC000134253399 388397308 /nfs/dbraw/zinc/39/73/08/388397308.db2.gz PGQZOPBQANTOGA-PSASIEDQSA-N 0 3 212.293 0.280 20 0 BCADHN CO[C@H](C)Cn1cc([C@H](N)C(C)C)nn1 ZINC000300997991 388397771 /nfs/dbraw/zinc/39/77/71/388397771.db2.gz WQCXUHHLLZHIQU-PSASIEDQSA-N 0 3 212.297 0.969 20 0 BCADHN NC(=O)c1ccc(CNC(=O)CNC2CC2)cc1 ZINC000237723674 388398616 /nfs/dbraw/zinc/39/86/16/388398616.db2.gz WUIWDAVTWKCCPK-UHFFFAOYSA-N 0 3 247.298 0.154 20 0 BCADHN O=C(CNC[C@H]1CCCO1)N1CCSCC1 ZINC000237921573 388398928 /nfs/dbraw/zinc/39/89/28/388398928.db2.gz MVVXBJQBOILAMW-SNVBAGLBSA-N 0 3 244.360 0.330 20 0 BCADHN CCOCC[C@H](O)CN[C@H](CO)CC(F)F ZINC000572960468 388399168 /nfs/dbraw/zinc/39/91/68/388399168.db2.gz AQQAXSFHQMXGJU-IUCAKERBSA-N 0 3 241.278 0.380 20 0 BCADHN COC(=O)[C@](C)(O)CN1CC[C@@H](OC(C)C)C1 ZINC000572957487 388399537 /nfs/dbraw/zinc/39/95/37/388399537.db2.gz FBXOSWSUECAHDH-ZYHUDNBSSA-N 0 3 245.319 0.410 20 0 BCADHN CCN(C)CCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000572973258 388401703 /nfs/dbraw/zinc/40/17/03/388401703.db2.gz RMFPTVINWDXIIV-JTQLQIEISA-N 0 3 238.335 0.656 20 0 BCADHN CC[C@@]1(C)CCN([C@@H]2CC(=O)NC2=O)C1 ZINC000572981212 388402212 /nfs/dbraw/zinc/40/22/12/388402212.db2.gz VQMJZFWJSZWSRM-KCJUWKMLSA-N 0 3 210.277 0.524 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)/C=C\CN(C)C ZINC000492115733 388335544 /nfs/dbraw/zinc/33/55/44/388335544.db2.gz UGAUULAHALOSJC-QIAMSNJGSA-N 0 3 228.336 0.627 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000492146738 388336526 /nfs/dbraw/zinc/33/65/26/388336526.db2.gz VHKSKBFZDOHKAA-DLRQAJBASA-N 0 3 248.330 0.501 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@@H](O)c1ccccc1 ZINC000492155251 388336612 /nfs/dbraw/zinc/33/66/12/388336612.db2.gz HPNFOWIRVZLEGL-OYVUYXNMSA-N 0 3 248.326 0.954 20 0 BCADHN C[C@H](CCCO)NC(=O)/C=C\CN(C)C ZINC000492165271 388337128 /nfs/dbraw/zinc/33/71/28/388337128.db2.gz XZDVXSYZABFBBG-ISGFRBBESA-N 0 3 214.309 0.381 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)/C=C\C1CC1 ZINC000492209069 388338283 /nfs/dbraw/zinc/33/82/83/388338283.db2.gz RCFVZTZKKFIBNY-ZHRWSRJISA-N 0 3 226.320 0.381 20 0 BCADHN CN(C)C/C=C\C(=O)NCc1cccc(F)n1 ZINC000492204788 388338295 /nfs/dbraw/zinc/33/82/95/388338295.db2.gz OJZWNPQCPGTEOB-DAXSKMNVSA-N 0 3 237.278 0.955 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC[C@@H]1CO ZINC000492246659 388339108 /nfs/dbraw/zinc/33/91/08/388339108.db2.gz GHDAOMBKZKAKTD-AYYIZTPMSA-N 0 3 212.293 0.088 20 0 BCADHN CN(C)C/C=C/C(=O)NCc1ccn(C)n1 ZINC000492263926 388339563 /nfs/dbraw/zinc/33/95/63/388339563.db2.gz UTDWOAYOWHAESU-SNAWJCMRSA-N 0 3 222.292 0.154 20 0 BCADHN CC[C@@H](CCO)NC(=O)/C=C/CN(C)C ZINC000492260688 388339616 /nfs/dbraw/zinc/33/96/16/388339616.db2.gz CGWAWRBXDRMBHG-PORFMDCZSA-N 0 3 214.309 0.381 20 0 BCADHN CCCCN(CCO)C(=O)/C=C\CN(C)C ZINC000492263696 388339635 /nfs/dbraw/zinc/33/96/35/388339635.db2.gz ODMOWAGWNXUMAA-SREVYHEPSA-N 0 3 228.336 0.725 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCCC[C@@H]1CCO ZINC000492268036 388339981 /nfs/dbraw/zinc/33/99/81/388339981.db2.gz DCDNCPDDRHXQCQ-HOSRBBHYSA-N 0 3 240.347 0.868 20 0 BCADHN CSC[C@H](CCO)NC(=O)/C=C/CN(C)C ZINC000492273245 388340019 /nfs/dbraw/zinc/34/00/19/388340019.db2.gz OQBMRKWLRUMMEK-YEZKRMTDSA-N 0 3 246.376 0.334 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C\CN(C)C)[C@@H](C)CN1C ZINC000492284499 388340053 /nfs/dbraw/zinc/34/00/53/388340053.db2.gz RAHSVDGSTJLTLQ-PBWNMSGQSA-N 0 3 239.363 0.655 20 0 BCADHN CS[C@H](CO)[C@@H](C)NC(=O)/C=C\CN(C)C ZINC000492275378 388340071 /nfs/dbraw/zinc/34/00/71/388340071.db2.gz SSEUUCAQGIQESH-KWMOZEJZSA-N 0 3 246.376 0.333 20 0 BCADHN CCc1nocc1CNC[C@@](C)(O)COC ZINC000378664068 388480371 /nfs/dbraw/zinc/48/03/71/388480371.db2.gz DTFSORXBCUNHLQ-LLVKDONJSA-N 0 3 228.292 0.724 20 0 BCADHN C[C@@H]1CCCN(CC(=O)N2CCNC2=O)[C@H]1C ZINC000246546040 388444988 /nfs/dbraw/zinc/44/49/88/388444988.db2.gz CXHOOPUZDQQQCB-ZJUUUORDSA-N 0 3 239.319 0.659 20 0 BCADHN COC[C@@H](N[C@@H]1COC[C@H]1O)C(C)C ZINC000308612580 388445101 /nfs/dbraw/zinc/44/51/01/388445101.db2.gz RBTVGTNWVDGKNV-OPRDCNLKSA-N 0 3 203.282 0.007 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2CCC(=O)N(C)C2=O)[C@@H](C)O1 ZINC000333224448 388445341 /nfs/dbraw/zinc/44/53/41/388445341.db2.gz SNVIBTKOWLJIGZ-IMSYWVGJSA-N 0 3 240.303 0.289 20 0 BCADHN CC(C(=O)N1CC[C@@H](C)[C@H]1C)S(C)(=O)=O ZINC000246695503 388445514 /nfs/dbraw/zinc/44/55/14/388445514.db2.gz DYARKFOABAUKEZ-HLTSFMKQSA-N 0 3 233.333 0.676 20 0 BCADHN CN(C)C(=O)CNC(C)(C)CN1CCCC1 ZINC000308631745 388446375 /nfs/dbraw/zinc/44/63/75/388446375.db2.gz CWGHJIGQJIOLAI-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN CNC(=O)[C@H](N[C@H]1CCSC1)C(C)C ZINC000134878947 388480599 /nfs/dbraw/zinc/48/05/99/388480599.db2.gz HJXIWHXDGMSINO-DTWKUNHWSA-N 0 3 216.350 0.852 20 0 BCADHN C[C@@H](CNCCc1cscn1)S(C)(=O)=O ZINC000575248814 388449883 /nfs/dbraw/zinc/44/98/83/388449883.db2.gz VISLUZPTYBUFLN-QMMMGPOBSA-N 0 3 248.373 0.708 20 0 BCADHN C[C@@H](N[C@@H]1CCOC1)C(=O)NC(C)(C)C ZINC000087786080 135172367 /nfs/dbraw/zinc/17/23/67/135172367.db2.gz JQSAAPZGBZQACC-RKDXNWHRSA-N 0 3 214.309 0.668 20 0 BCADHN C[C@H]1[C@H](CO)CCN1CC(=O)N1CCCC1 ZINC000335711328 388453814 /nfs/dbraw/zinc/45/38/14/388453814.db2.gz JNCHIPLDBXDMHZ-QWRGUYRKSA-N 0 3 226.320 0.312 20 0 BCADHN CCN1CCN(CCCNC(C)=O)CC1 ZINC000041443644 388458596 /nfs/dbraw/zinc/45/85/96/388458596.db2.gz APDOLBAJMBFWEW-UHFFFAOYSA-N 0 3 213.325 0.150 20 0 BCADHN CO[C@@H]1CCN(C[C@H](O)CSC)C1 ZINC000336655151 388459374 /nfs/dbraw/zinc/45/93/74/388459374.db2.gz OLHJDGHKPPBBTM-DTWKUNHWSA-N 0 3 205.323 0.431 20 0 BCADHN COCCC(=O)N(C)C1CCN(C)CC1 ZINC000066148124 388460052 /nfs/dbraw/zinc/46/00/52/388460052.db2.gz CNONMSGDXUGIMH-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN Cc1n[nH]cc1CNC[C@H](CO)C1CC1 ZINC000336658965 388460529 /nfs/dbraw/zinc/46/05/29/388460529.db2.gz BGGLRVNGXSCEJK-LLVKDONJSA-N 0 3 209.293 0.826 20 0 BCADHN C[C@H](O)[C@H](C)N[C@H]1C[C@H]2CCCCN2C1=O ZINC000514932315 388460738 /nfs/dbraw/zinc/46/07/38/388460738.db2.gz IJCSYTUFGBDINZ-MMWGEVLESA-N 0 3 226.320 0.499 20 0 BCADHN COC[C@@H](NC(=O)[C@@H](C)NC1CC1)C1CC1 ZINC000397354248 388463608 /nfs/dbraw/zinc/46/36/08/388463608.db2.gz JQSBRCHOIIFDQG-LDYMZIIASA-N 0 3 226.320 0.668 20 0 BCADHN CSC[C@H](CCO)NCc1cnc(C)nc1 ZINC000336712270 388466279 /nfs/dbraw/zinc/46/62/79/388466279.db2.gz SRDIQIPCCHFAAU-NSHDSACASA-N 0 3 241.360 0.989 20 0 BCADHN O[C@H]1C[C@@H](NCc2ccccc2-n2cncn2)C1 ZINC000648848337 388468062 /nfs/dbraw/zinc/46/80/62/388468062.db2.gz WWHLPHVXYSMNBF-TXEJJXNPSA-N 0 3 244.298 0.880 20 0 BCADHN CC(C(=O)N(C)C1CCCC1)S(C)(=O)=O ZINC000195463110 388472391 /nfs/dbraw/zinc/47/23/91/388472391.db2.gz BGEKWNJZPKLCRB-MRVPVSSYSA-N 0 3 233.333 0.821 20 0 BCADHN CC(C(=O)N(C)C1CCCC1)S(C)(=O)=O ZINC000195463103 388472544 /nfs/dbraw/zinc/47/25/44/388472544.db2.gz BGEKWNJZPKLCRB-QMMMGPOBSA-N 0 3 233.333 0.821 20 0 BCADHN C[C@@H]1[C@H](C(=O)N2CCC(=O)[C@@H](C)C2)CCN1C ZINC000648865452 388474308 /nfs/dbraw/zinc/47/43/08/388474308.db2.gz VBEHFYFYCFVECK-HBNTYKKESA-N 0 3 238.331 0.764 20 0 BCADHN COC1(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000648872670 388477535 /nfs/dbraw/zinc/47/75/35/388477535.db2.gz LMWKENKNRAWFNV-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](N(C)CC(=O)N1CCOCC1)C1(C)CC1 ZINC000177218234 388477775 /nfs/dbraw/zinc/47/77/75/388477775.db2.gz BXVREZPJHCTJLA-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN [NH3+]C[C@@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000646669718 388409708 /nfs/dbraw/zinc/40/97/08/388409708.db2.gz OUUKVYZPAJNAKF-QMMMGPOBSA-N 0 3 245.286 0.379 20 0 BCADHN CN(Cc1ccccn1)C[C@@H](O)CN(C)C1CC1 ZINC000295230333 388410689 /nfs/dbraw/zinc/41/06/89/388410689.db2.gz WTIRITMIRVFLBC-CQSZACIVSA-N 0 3 249.358 0.969 20 0 BCADHN CNC(=O)NC(=O)CN1CCC[C@H](C)CC1 ZINC000068838091 388411016 /nfs/dbraw/zinc/41/10/16/388411016.db2.gz AWHYKEJNGVONOQ-VIFPVBQESA-N 0 3 227.308 0.564 20 0 BCADHN COc1nccc(CN[C@H](CCO)C(C)C)n1 ZINC000295664147 388413284 /nfs/dbraw/zinc/41/32/84/388413284.db2.gz JOZMBTRTGYLYLN-LLVKDONJSA-N 0 3 239.319 0.982 20 0 BCADHN C(CN1CCCOCC1)OC[C@H]1CCCO1 ZINC000524991397 388413783 /nfs/dbraw/zinc/41/37/83/388413783.db2.gz WEXQGIZEZUACDI-GFCCVEGCSA-N 0 3 229.320 0.904 20 0 BCADHN COC1(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000648822152 388414042 /nfs/dbraw/zinc/41/40/42/388414042.db2.gz MAJZUAISAZKFSH-KOLCDFICSA-N 0 3 238.331 0.764 20 0 BCADHN Cc1ccc(F)cc1CN1C[C@H](O)[C@@H](CO)C1 ZINC000316531261 388415360 /nfs/dbraw/zinc/41/53/60/388415360.db2.gz PRFORUQRDPIBHM-YPMHNXCESA-N 0 3 239.290 0.919 20 0 BCADHN NC(=O)C1(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000646697030 388418904 /nfs/dbraw/zinc/41/89/04/388418904.db2.gz LIIBGMSVDZZHNI-JTQLQIEISA-N 0 3 247.298 0.068 20 0 BCADHN NC(=O)C1(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000646697031 388419463 /nfs/dbraw/zinc/41/94/63/388419463.db2.gz LIIBGMSVDZZHNI-SNVBAGLBSA-N 0 3 247.298 0.068 20 0 BCADHN CC(=O)NCCCNCc1ccns1 ZINC000404457920 388421129 /nfs/dbraw/zinc/42/11/29/388421129.db2.gz QUQRFLMEJQKHKT-UHFFFAOYSA-N 0 3 213.306 0.759 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000513304347 388422290 /nfs/dbraw/zinc/42/22/90/388422290.db2.gz XGFMHEVVIOBBEC-QJPTWQEYSA-N 0 3 242.363 0.944 20 0 BCADHN C[C@@H](NCC[C@H]1CCNC1=O)c1cn[nH]c1 ZINC000573132960 388423013 /nfs/dbraw/zinc/42/30/13/388423013.db2.gz OIUTVHSVWQDJCK-BDAKNGLRSA-N 0 3 222.292 0.587 20 0 BCADHN COc1nccc(CN[C@@H](CO)CC(C)C)n1 ZINC000296397846 388423160 /nfs/dbraw/zinc/42/31/60/388423160.db2.gz LGQNJCJVTAGZNJ-LLVKDONJSA-N 0 3 239.319 0.982 20 0 BCADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C1CC(=O)C1 ZINC000245670525 388427330 /nfs/dbraw/zinc/42/73/30/388427330.db2.gz CWHMBLNVQBRKGE-KOLCDFICSA-N 0 3 236.315 0.661 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C[C@H]1CCOC1 ZINC000177283185 388479822 /nfs/dbraw/zinc/47/98/22/388479822.db2.gz WULFTANQLRNFDN-LLVKDONJSA-N 0 3 228.336 0.822 20 0 BCADHN Cc1ccc(CCNC(=O)[C@H](C)N)cn1 ZINC000166651353 388429928 /nfs/dbraw/zinc/42/99/28/388429928.db2.gz ULIGQGMKXRSNCR-VIFPVBQESA-N 0 3 207.277 0.396 20 0 BCADHN CCC[N@H+](C)CC(=O)NCCCc1nnc[n-]1 ZINC000573215457 388432823 /nfs/dbraw/zinc/43/28/23/388432823.db2.gz NBPWSZKXYBUIEO-UHFFFAOYSA-N 0 3 239.323 0.195 20 0 BCADHN CCC[N@@H+](C)CC(=O)NCCCc1nnc[n-]1 ZINC000573215457 388432825 /nfs/dbraw/zinc/43/28/25/388432825.db2.gz NBPWSZKXYBUIEO-UHFFFAOYSA-N 0 3 239.323 0.195 20 0 BCADHN CCCN(C)CC(=O)NCCCc1nnc[nH]1 ZINC000573215457 388432826 /nfs/dbraw/zinc/43/28/26/388432826.db2.gz NBPWSZKXYBUIEO-UHFFFAOYSA-N 0 3 239.323 0.195 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCNC2=O)C[C@H]1C ZINC000245907175 388434814 /nfs/dbraw/zinc/43/48/14/388434814.db2.gz LYDIDFRRFNZBLO-VHSXEESVSA-N 0 3 239.319 0.516 20 0 BCADHN COC(=O)NCCNC[C@@](C)(O)C(F)(F)F ZINC000308344691 388436273 /nfs/dbraw/zinc/43/62/73/388436273.db2.gz UFWKARXPCHURRH-SSDOTTSWSA-N 0 3 244.213 0.245 20 0 BCADHN CCN1CC[C@H](N(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000246067603 388437116 /nfs/dbraw/zinc/43/71/16/388437116.db2.gz DTHOKIFORDUTLQ-UWVGGRQHSA-N 0 3 234.365 0.608 20 0 BCADHN CNC(=O)CCN[C@@H](C)c1cnn(C)c1C ZINC000298484279 388438614 /nfs/dbraw/zinc/43/86/14/388438614.db2.gz HAZDXYOEIHFFOB-QMMMGPOBSA-N 0 3 224.308 0.515 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC2(O)CCC2)[C@H]1C ZINC000528512944 388538618 /nfs/dbraw/zinc/53/86/18/388538618.db2.gz OTATXKZXNRDOHY-OUAUKWLOSA-N 0 3 213.321 0.993 20 0 BCADHN CO[C@H](CN)C(=O)N1CCCC[C@@H]1C(C)C ZINC000352954924 388540343 /nfs/dbraw/zinc/54/03/43/388540343.db2.gz KNLMSQQGGHGMRW-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@H](O)CCCNC(=O)[C@H](N)CCSC ZINC000353247671 388540840 /nfs/dbraw/zinc/54/08/40/388540840.db2.gz KEJFVCADIQFSOG-VHSXEESVSA-N 0 3 248.392 0.734 20 0 BCADHN O=C(NC[C@H]1CCN(C2CC2)C1)C1CC(=O)C1 ZINC000136565328 388540968 /nfs/dbraw/zinc/54/09/68/388540968.db2.gz CJRHGQDEARORSM-SECBINFHSA-N 0 3 236.315 0.566 20 0 BCADHN CC[C@H](O)CCCNC(=O)[C@@H](N)CCSC ZINC000353247670 388541659 /nfs/dbraw/zinc/54/16/59/388541659.db2.gz KEJFVCADIQFSOG-UWVGGRQHSA-N 0 3 248.392 0.734 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCCc1cnccn1 ZINC000353334996 388542358 /nfs/dbraw/zinc/54/23/58/388542358.db2.gz IIPRUCBRSOGBNM-LLVKDONJSA-N 0 3 236.319 0.509 20 0 BCADHN CCC[C@H](N)C(=O)NCCc1cnccn1 ZINC000353334505 388542619 /nfs/dbraw/zinc/54/26/19/388542619.db2.gz HLXBGIKUGJDPCQ-JTQLQIEISA-N 0 3 222.292 0.263 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@@]1(C)CCOC1 ZINC000353664221 388542856 /nfs/dbraw/zinc/54/28/56/388542856.db2.gz ODIARQOKNMFXHH-GXSJLCMTSA-N 0 3 246.376 0.610 20 0 BCADHN CC[C@H](COC)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000353847832 388543575 /nfs/dbraw/zinc/54/35/75/388543575.db2.gz ULSYHQYHUCWVBK-AEJSXWLSSA-N 0 3 235.349 0.577 20 0 BCADHN COC[C@@H](N[C@@H](C)C(=O)NC1CC1)C1CC1 ZINC000136627717 388543792 /nfs/dbraw/zinc/54/37/92/388543792.db2.gz ZAGUBSMJPGVEJL-GZMMTYOYSA-N 0 3 226.320 0.668 20 0 BCADHN CC(C)[C@H](O)CN(C)CCN1CCCC1=O ZINC000517273183 388545878 /nfs/dbraw/zinc/54/58/78/388545878.db2.gz IWMOJIRXMXQUPR-LLVKDONJSA-N 0 3 228.336 0.558 20 0 BCADHN CNS(=O)(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000528554182 388546138 /nfs/dbraw/zinc/54/61/38/388546138.db2.gz SOQNLXPPPXRIMV-JTQLQIEISA-N 0 3 247.364 0.057 20 0 BCADHN COCc1ccc(CNCCCOCCO)o1 ZINC000355743761 388546885 /nfs/dbraw/zinc/54/68/85/388546885.db2.gz TVCXYONTWUSZRY-UHFFFAOYSA-N 0 3 243.303 0.915 20 0 BCADHN CCC[C@H](CNCc1cnnn1C)OC ZINC000356322986 388548153 /nfs/dbraw/zinc/54/81/53/388548153.db2.gz QQVBHOFZEBBMNX-SNVBAGLBSA-N 0 3 212.297 0.720 20 0 BCADHN COc1nccc(CNCC[C@H](C)CCO)n1 ZINC000397623161 388485471 /nfs/dbraw/zinc/48/54/71/388485471.db2.gz IKPGCPPTUYZMHC-JTQLQIEISA-N 0 3 239.319 0.983 20 0 BCADHN O=C1NCCCC[C@@H]1N1CCC[C@H](O)CC1 ZINC000339784806 388486824 /nfs/dbraw/zinc/48/68/24/388486824.db2.gz RUALQVGBSWFAOG-QWRGUYRKSA-N 0 3 226.320 0.502 20 0 BCADHN CO[C@H](CN[C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000340494762 388491708 /nfs/dbraw/zinc/49/17/08/388491708.db2.gz YOQRXCUTVOXTAQ-WCBMZHEXSA-N 0 3 235.349 0.434 20 0 BCADHN COC[C@@H](C)N[C@H](C)C(=O)NCc1ccco1 ZINC000034937103 388493177 /nfs/dbraw/zinc/49/31/77/388493177.db2.gz OTXTYHZCXUOTLR-NXEZZACHSA-N 0 3 240.303 0.909 20 0 BCADHN CC[C@H]1CN(CCCC(=O)OC)C[C@H]1O ZINC000341005460 388493535 /nfs/dbraw/zinc/49/35/35/388493535.db2.gz FIIBNWCKOJROCU-VHSXEESVSA-N 0 3 215.293 0.642 20 0 BCADHN CO[C@@H](CNC1COCCOC1)C1CC1 ZINC000378745236 388494438 /nfs/dbraw/zinc/49/44/38/388494438.db2.gz LGMRJLVHMYRMBX-NSHDSACASA-N 0 3 215.293 0.416 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1CCCOC1)N(C)C ZINC000178095880 388496028 /nfs/dbraw/zinc/49/60/28/388496028.db2.gz BJNPPXUQNSKGHG-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CC(=O)NCC(=O)N(CCN(C)C)CC(C)C ZINC000078290981 388496840 /nfs/dbraw/zinc/49/68/40/388496840.db2.gz IWGUEVPRBAAGPK-UHFFFAOYSA-N 0 3 243.351 0.169 20 0 BCADHN Cc1cnn(CCN2C[C@H](O)[C@@H](C)C2)c1 ZINC000341918380 388496918 /nfs/dbraw/zinc/49/69/18/388496918.db2.gz FHUIMBSVICLSAF-QWRGUYRKSA-N 0 3 209.293 0.504 20 0 BCADHN Cc1cnn(CCN2C[C@@H](C)[C@H](O)C2)c1 ZINC000341918374 388496945 /nfs/dbraw/zinc/49/69/45/388496945.db2.gz FHUIMBSVICLSAF-GHMZBOCLSA-N 0 3 209.293 0.504 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCC[C@@H](CO)C1 ZINC000342270369 388497586 /nfs/dbraw/zinc/49/75/86/388497586.db2.gz QJBVAMGYYQAXBV-GHMZBOCLSA-N 0 3 238.335 0.703 20 0 BCADHN O[C@@H]1CN(CCCCC2CCOCC2)C[C@@H]1O ZINC000302292744 388501349 /nfs/dbraw/zinc/50/13/49/388501349.db2.gz XUTLBFUBPBDZNG-BETUJISGSA-N 0 3 243.347 0.621 20 0 BCADHN CC(C)OCC(=O)NCC1(N(C)C)CC1 ZINC000397825383 388502518 /nfs/dbraw/zinc/50/25/18/388502518.db2.gz LHVSEMKFCSFHJK-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN CCN(C)S(=O)(=O)NC[C@H](C)N1CCCC1 ZINC000548041532 388505303 /nfs/dbraw/zinc/50/53/03/388505303.db2.gz UIXQNNPQDCOVER-JTQLQIEISA-N 0 3 249.380 0.257 20 0 BCADHN C[NH+](C)C1(CNc2ccncc2C(=O)[O-])CC1 ZINC000397880275 388508339 /nfs/dbraw/zinc/50/83/39/388508339.db2.gz KCAZIESVSOQSPY-UHFFFAOYSA-N 0 3 235.287 0.708 20 0 BCADHN C[C@H](CCO)CN[C@@H]1CCn2ccnc21 ZINC000345342026 388512863 /nfs/dbraw/zinc/51/28/63/388512863.db2.gz FNSALXWALIZTDE-NXEZZACHSA-N 0 3 209.293 0.936 20 0 BCADHN Cc1cc(CNC[C@H](O)Cn2cccn2)n(C)n1 ZINC000516646879 388513863 /nfs/dbraw/zinc/51/38/63/388513863.db2.gz XLUSYJBDELSLOB-LBPRGKRZSA-N 0 3 249.318 0.076 20 0 BCADHN C/C=C/C=C/C(=O)N1CCN(C)C[C@H]1CN ZINC000087613491 388520856 /nfs/dbraw/zinc/52/08/56/388520856.db2.gz DGJPTZDJALYJEB-XXZAKMSKSA-N 0 3 223.320 0.220 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C[C@H](O)CC1(O)CCC1 ZINC000528426790 388523004 /nfs/dbraw/zinc/52/30/04/388523004.db2.gz HBXVRXWUIOBHCS-GMTAPVOTSA-N 0 3 229.320 0.108 20 0 BCADHN CC[C@H](COC)N[C@@H]1CS(=O)(=O)C[C@H]1C ZINC000348154307 388525313 /nfs/dbraw/zinc/52/53/13/388525313.db2.gz AOQFELMBZPIPPN-OPRDCNLKSA-N 0 3 235.349 0.434 20 0 BCADHN CC[C@]1(O)CCN([C@@H]2CCCN(C)C2=O)C1 ZINC000548629784 388549949 /nfs/dbraw/zinc/54/99/49/388549949.db2.gz UPKUSXXBUQREBD-PWSUYJOCSA-N 0 3 226.320 0.454 20 0 BCADHN CN([C@@H]1CCCC[C@H]1O)[C@H]1CCCN(C)C1=O ZINC000548301384 388527286 /nfs/dbraw/zinc/52/72/86/388527286.db2.gz FCNPBLPVKSDNND-GRYCIOLGSA-N 0 3 240.347 0.843 20 0 BCADHN CN(C[C@H](O)CC1(O)CCC1)C1CC(O)C1 ZINC000528446206 388527629 /nfs/dbraw/zinc/52/76/29/388527629.db2.gz ANVNUHSNVSEZCM-VQXHTEKXSA-N 0 3 229.320 0.108 20 0 BCADHN Cc1n[nH]c(C)c1CN1C[C@H](O)C2(CC2)C1 ZINC000548317429 388528259 /nfs/dbraw/zinc/52/82/59/388528259.db2.gz KPOUIVLLROHDEB-NSHDSACASA-N 0 3 221.304 0.983 20 0 BCADHN C[C@H](C(=O)NC1CC1)N(C)CCCCO ZINC000349919674 388529383 /nfs/dbraw/zinc/52/93/83/388529383.db2.gz IATGJSAJFVOHOT-SECBINFHSA-N 0 3 214.309 0.358 20 0 BCADHN CCCCNC(=O)[C@H](C)N(C)CCCCO ZINC000349937094 388529449 /nfs/dbraw/zinc/52/94/49/388529449.db2.gz RYMINKFJPMZOQO-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN CS(=O)(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000528473783 388531426 /nfs/dbraw/zinc/53/14/26/388531426.db2.gz IAFRMAYZPXOIET-LLVKDONJSA-N 0 3 246.376 0.943 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1C[C@@H](C)[C@@H](O)C1 ZINC000351773087 388532646 /nfs/dbraw/zinc/53/26/46/388532646.db2.gz BSPBAOZMVRZQJI-VWYCJHECSA-N 0 3 228.336 0.556 20 0 BCADHN CCOC(=O)COCCN1C[C@H](O)[C@H](CC)C1 ZINC000351710746 388532906 /nfs/dbraw/zinc/53/29/06/388532906.db2.gz DXJFBVUYOSZLTG-MNOVXSKESA-N 0 3 245.319 0.269 20 0 BCADHN C[C@@H](C(=O)N1CCCCC1)N1C[C@@H](C)[C@@H](O)C1 ZINC000351814357 388534454 /nfs/dbraw/zinc/53/44/54/388534454.db2.gz SQQYAOCNBOPAIA-WOPDTQHZSA-N 0 3 240.347 0.700 20 0 BCADHN CSCCN(C)C(=O)CNC[C@H]1CCCO1 ZINC000516296486 256773566 /nfs/dbraw/zinc/77/35/66/256773566.db2.gz FXDIDTNWAVLQKS-SNVBAGLBSA-N 0 3 246.376 0.576 20 0 BCADHN CC[C@H]1CN(C)CCN1c1ncnc2n[nH]cc21 ZINC000549638894 388586351 /nfs/dbraw/zinc/58/63/51/388586351.db2.gz DBBULFIWZGJIJA-VIFPVBQESA-N 0 3 246.318 0.883 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cnns1 ZINC000261545714 388586730 /nfs/dbraw/zinc/58/67/30/388586730.db2.gz KFASNSKNRCLSAA-NKWVEPMBSA-N 0 3 226.305 0.361 20 0 BCADHN NCC(=O)NCCN1Cc2ccccc2C1 ZINC000649306522 388591490 /nfs/dbraw/zinc/59/14/90/388591490.db2.gz XALHIZUMPDHCHC-UHFFFAOYSA-N 0 3 219.288 0.077 20 0 BCADHN C[C@H](O)CCN(C)[C@H]1CCCCNC1=O ZINC000245625976 388594591 /nfs/dbraw/zinc/59/45/91/388594591.db2.gz PAJXJNUTVBWYPJ-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN COC[C@H]1CCCN([C@H]2CCNC2=O)C1 ZINC000245675164 388596513 /nfs/dbraw/zinc/59/65/13/388596513.db2.gz GPVHYWVEYXDXAK-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@H]1CCCN(C)C1 ZINC000081900951 388597715 /nfs/dbraw/zinc/59/77/15/388597715.db2.gz ZSUQLLDNXFLCMI-GHMZBOCLSA-N 0 3 248.392 0.351 20 0 BCADHN C[C@@H](NCC(=O)NC1CC1)[C@@H]1CCCCO1 ZINC000379266981 388602617 /nfs/dbraw/zinc/60/26/17/388602617.db2.gz RWRDRLNGZHCQRC-KOLCDFICSA-N 0 3 226.320 0.812 20 0 BCADHN NC1(C(=O)Nc2ccc[nH]c2=O)CCCC1 ZINC000649314263 388603179 /nfs/dbraw/zinc/60/31/79/388603179.db2.gz XHCZYZPXHKOZGT-UHFFFAOYSA-N 0 3 221.260 0.997 20 0 BCADHN CC1(C)CN(C[C@@H]2COCCO2)CCCO1 ZINC000649316015 388605508 /nfs/dbraw/zinc/60/55/08/388605508.db2.gz LLYJGARCOANQGH-LLVKDONJSA-N 0 3 229.320 0.903 20 0 BCADHN C[C@H](O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530028399 388605676 /nfs/dbraw/zinc/60/56/76/388605676.db2.gz PHDKSQMRXNHNJF-ONGXEEELSA-N 0 3 226.320 0.500 20 0 BCADHN CCN(CCO)CCNC(=O)NCC(C)(C)C ZINC000187209648 388607733 /nfs/dbraw/zinc/60/77/33/388607733.db2.gz XRTHPXONJGIKDC-UHFFFAOYSA-N 0 3 245.367 0.646 20 0 BCADHN CCC[C@@H](C)N1CCO[C@H](C(N)=O)C1 ZINC000187666854 388609188 /nfs/dbraw/zinc/60/91/88/388609188.db2.gz HRCUDUOXPZPNTN-BDAKNGLRSA-N 0 3 200.282 0.361 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NCC1COC1 ZINC000530114944 388610553 /nfs/dbraw/zinc/61/05/53/388610553.db2.gz JHFCFGVBXJVLAA-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCC1COC1 ZINC000530114945 388610793 /nfs/dbraw/zinc/61/07/93/388610793.db2.gz JHFCFGVBXJVLAA-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN CN(C[C@@H](O)C(F)(F)F)C[C@@H]1CCOC1 ZINC000245982334 388612728 /nfs/dbraw/zinc/61/27/28/388612728.db2.gz GXQZJEALKHASFE-JGVFFNPUSA-N 0 3 227.226 0.878 20 0 BCADHN OCC(CO)NCc1cccc(OC(F)F)c1 ZINC000521521268 388612749 /nfs/dbraw/zinc/61/27/49/388612749.db2.gz FGNCVYBCGNEYFT-UHFFFAOYSA-N 0 3 247.241 0.731 20 0 BCADHN CN(C)C[C@@H]1CCCCN1C(=O)C1CC(=O)C1 ZINC000136920742 388551991 /nfs/dbraw/zinc/55/19/91/388551991.db2.gz QWRSYRPFEIIKOI-NSHDSACASA-N 0 3 238.331 0.908 20 0 BCADHN C[C@H](O)CN[C@]1(CO)COc2ccccc2C1 ZINC000528645902 388554990 /nfs/dbraw/zinc/55/49/90/388554990.db2.gz OYEIZPMXWNWYSJ-GXFFZTMASA-N 0 3 237.299 0.323 20 0 BCADHN [O-]c1cccnc1C[N@H+](CCO)CC1CC1 ZINC000520891694 388558948 /nfs/dbraw/zinc/55/89/48/388558948.db2.gz RVGWJZHPWXNBIR-UHFFFAOYSA-N 0 3 222.288 0.992 20 0 BCADHN [O-]c1cccnc1C[N@@H+](CCO)CC1CC1 ZINC000520891694 388558950 /nfs/dbraw/zinc/55/89/50/388558950.db2.gz RVGWJZHPWXNBIR-UHFFFAOYSA-N 0 3 222.288 0.992 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000360664568 388559004 /nfs/dbraw/zinc/55/90/04/388559004.db2.gz UEJYPJWLJVCNML-GUBZILKMSA-N 0 3 212.293 0.361 20 0 BCADHN CO[C@]1(C)CCCN([C@@H]2COC[C@H]2O)C1 ZINC000361392680 388560977 /nfs/dbraw/zinc/56/09/77/388560977.db2.gz UXFWKLDEBIMRFG-GMTAPVOTSA-N 0 3 215.293 0.247 20 0 BCADHN CN(CC1(O)CCCC1)[C@H]1CCCN(C)C1=O ZINC000548781545 388561508 /nfs/dbraw/zinc/56/15/08/388561508.db2.gz AEMQIBIVNVJWKQ-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CO[C@H](CNC(=O)C[C@H]1CNCCO1)C(C)C ZINC000362978296 388562781 /nfs/dbraw/zinc/56/27/81/388562781.db2.gz YQRDJAXNZCERJS-WDEREUQCSA-N 0 3 244.335 0.152 20 0 BCADHN CN1CCN(C(=O)[C@@]23C[C@@H]2CCC3)[C@H](CN)C1 ZINC000646833198 388562889 /nfs/dbraw/zinc/56/28/89/388562889.db2.gz PATZROCSPQBWTA-LOWVWBTDSA-N 0 3 237.347 0.278 20 0 BCADHN CO[C@@H](CNC(=O)C[C@@H]1CNCCO1)C(C)C ZINC000362978294 388563354 /nfs/dbraw/zinc/56/33/54/388563354.db2.gz YQRDJAXNZCERJS-MNOVXSKESA-N 0 3 244.335 0.152 20 0 BCADHN CN(C)CCN(C)C(=O)c1cccnn1 ZINC000528745013 388564668 /nfs/dbraw/zinc/56/46/68/388564668.db2.gz XRIRYYXNEDKLAW-UHFFFAOYSA-N 0 3 208.265 0.110 20 0 BCADHN COCCN(C(=O)CN1CC[C@H](C)C1)C1CC1 ZINC000548825949 388564861 /nfs/dbraw/zinc/56/48/61/388564861.db2.gz MGKMIBGYQNRTBD-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](CC)C(=O)OC ZINC000261568455 135210475 /nfs/dbraw/zinc/21/04/75/135210475.db2.gz FPXWRUIPPYJHGB-LDYMZIIASA-N 0 3 230.308 0.572 20 0 BCADHN C[C@H](NC(=O)[C@H]1CCCCCN1)C(=O)N(C)C ZINC000080994144 388565983 /nfs/dbraw/zinc/56/59/83/388565983.db2.gz PDBPEUXKUFXPQO-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528756580 388566882 /nfs/dbraw/zinc/56/68/82/388566882.db2.gz KJZFTQBZBXSIRM-VLEAKVRGSA-N 0 3 249.376 0.823 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528756578 388566939 /nfs/dbraw/zinc/56/69/39/388566939.db2.gz KJZFTQBZBXSIRM-RCWTZXSCSA-N 0 3 249.376 0.823 20 0 BCADHN CS[C@@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368386181 388567776 /nfs/dbraw/zinc/56/77/76/388567776.db2.gz VCJSBAYPVGQMLL-FXQIFTODSA-N 0 3 220.313 0.554 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)N1CCC1 ZINC000528758393 388568266 /nfs/dbraw/zinc/56/82/66/388568266.db2.gz ULZVFHSTNGPGHG-GUDRVLHUSA-N 0 3 226.320 0.620 20 0 BCADHN CON(C)C(=O)CN[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528760132 388568436 /nfs/dbraw/zinc/56/84/36/388568436.db2.gz ISHAYNGHDYNMOC-REIXXSIJSA-N 0 3 230.308 0.408 20 0 BCADHN O=C(/C=C/C1CC1)NC[C@@H]1C[C@H](F)CN1 ZINC000368380410 388568472 /nfs/dbraw/zinc/56/84/72/388568472.db2.gz WHBHRWZNOOLTDB-OHINUGQQSA-N 0 3 212.268 0.769 20 0 BCADHN CC(C)(CN[C@H]1CCCc2n[nH]cc21)C(N)=O ZINC000368616173 388569517 /nfs/dbraw/zinc/56/95/17/388569517.db2.gz SAAWBOZCXHFAHQ-VIFPVBQESA-N 0 3 236.319 0.888 20 0 BCADHN CC1(C)C[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368643867 388570005 /nfs/dbraw/zinc/57/00/05/388570005.db2.gz BIWUXQIULORMMN-CIUDSAMLSA-N 0 3 214.284 0.849 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H](C)C(C)C ZINC000183943598 388572440 /nfs/dbraw/zinc/57/24/40/388572440.db2.gz JTFMQNBZPGDFRT-LLVKDONJSA-N 0 3 230.352 0.709 20 0 BCADHN CCN(CCO)CCNC(=O)NC(C)C ZINC000183904331 388572476 /nfs/dbraw/zinc/57/24/76/388572476.db2.gz OQVRJVYWJQVBJJ-UHFFFAOYSA-N 0 3 217.313 0.008 20 0 BCADHN CCCSCC(=O)NCCN(CC)CCO ZINC000183958679 388572696 /nfs/dbraw/zinc/57/26/96/388572696.db2.gz AAEXHEWTKYNJOY-UHFFFAOYSA-N 0 3 248.392 0.560 20 0 BCADHN CC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528781097 388572816 /nfs/dbraw/zinc/57/28/16/388572816.db2.gz JZSQIFTTWRZKRU-DDIVZENXSA-N 0 3 231.361 0.743 20 0 BCADHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cccnn2)C1 ZINC000528811312 388576010 /nfs/dbraw/zinc/57/60/10/388576010.db2.gz GIMZXQHLUICFSO-ZYHUDNBSSA-N 0 3 248.330 0.935 20 0 BCADHN COC[C@@H](O)CN1CC[C@H](OC(F)F)C1 ZINC000549410443 388578301 /nfs/dbraw/zinc/57/83/01/388578301.db2.gz CSMYDIUCXSYVJJ-YUMQZZPRSA-N 0 3 225.235 0.307 20 0 BCADHN CCOC(=O)CCCNC(=O)[C@H](C)NC ZINC000081524509 388579887 /nfs/dbraw/zinc/57/98/87/388579887.db2.gz MTGRNBUGOFULHT-QMMMGPOBSA-N 0 3 216.281 0.054 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccon2)[C@H]1C ZINC000261541766 388579944 /nfs/dbraw/zinc/57/99/44/388579944.db2.gz GFJBFFWZQYDHBC-SFYZADRCSA-N 0 3 209.249 0.497 20 0 BCADHN COC[C@H](C)CN1C[C@@H]2COC[C@H](C1)O2 ZINC000549425497 388579990 /nfs/dbraw/zinc/57/99/90/388579990.db2.gz QBQZYZBDHRORGI-MXWKQRLJSA-N 0 3 215.293 0.369 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1c[nH]ccc1=O ZINC000649301027 388581663 /nfs/dbraw/zinc/58/16/63/388581663.db2.gz AHRZLRNWQWPMPL-VIFPVBQESA-N 0 3 209.249 0.297 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)Nc2c[nH]ccc2=O)C1 ZINC000649301186 388583096 /nfs/dbraw/zinc/58/30/96/388583096.db2.gz KIABLJHTGNQPFY-DTWKUNHWSA-N 0 3 235.287 0.702 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc[nH]n1 ZINC000261543394 388583410 /nfs/dbraw/zinc/58/34/10/388583410.db2.gz HRAQSXKHMXUPAB-JGVFFNPUSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccn[nH]1 ZINC000261543394 388583411 /nfs/dbraw/zinc/58/34/11/388583411.db2.gz HRAQSXKHMXUPAB-JGVFFNPUSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)Nc2c[nH]ccc2=O)C1 ZINC000649301185 388583599 /nfs/dbraw/zinc/58/35/99/388583599.db2.gz KIABLJHTGNQPFY-BDAKNGLRSA-N 0 3 235.287 0.702 20 0 BCADHN C[C@@H](CNC(=O)c1nncs1)N(C)C ZINC000530189769 388616800 /nfs/dbraw/zinc/61/68/00/388616800.db2.gz VFHUVKOIQRXFMX-LURJTMIESA-N 0 3 214.294 0.218 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)[C@H](C)OC ZINC000191716160 388668005 /nfs/dbraw/zinc/66/80/05/388668005.db2.gz QRIRRECPWHJXLI-YIZRAAEISA-N 0 3 245.323 0.234 20 0 BCADHN C[C@@H]1CN(Cc2cncn2C)C[C@H]1CO ZINC000191718644 388668286 /nfs/dbraw/zinc/66/82/86/388668286.db2.gz HIXBYXIFRNGUQU-ZJUUUORDSA-N 0 3 209.293 0.480 20 0 BCADHN NC(=O)NC(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000247684315 388668520 /nfs/dbraw/zinc/66/85/20/388668520.db2.gz USMWRQJAKGIUDQ-IUCAKERBSA-N 0 3 225.292 0.446 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCOC[C@@H]1C ZINC000192568340 388679005 /nfs/dbraw/zinc/67/90/05/388679005.db2.gz HOIZJTNRHJGITC-WDEREUQCSA-N 0 3 228.336 0.727 20 0 BCADHN CN(CC1CCC1)C(=O)COC1CNC1 ZINC000261547733 135240681 /nfs/dbraw/zinc/24/06/81/135240681.db2.gz MRBKANZSOKXCTI-UHFFFAOYSA-N 0 3 212.293 0.233 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N(C)[C@H](C)C1CC1 ZINC000255480405 388679477 /nfs/dbraw/zinc/67/94/77/388679477.db2.gz ISHHVDZIQACFHH-RKDXNWHRSA-N 0 3 241.335 0.951 20 0 BCADHN CO[C@H]1CCCN(CCN2CCO[C@@H](C)C2)C1 ZINC000192732163 388682854 /nfs/dbraw/zinc/68/28/54/388682854.db2.gz QVMRLUDWFNKEMJ-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN CCC[C@H](C)N1CCN(C(=O)CN(C)C)CC1 ZINC000192721062 388683341 /nfs/dbraw/zinc/68/33/41/388683341.db2.gz BCPUIJJSOUQZKE-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CO[C@H]1CN(Cc2cnc[nH]2)[C@@](C)(CO)C1 ZINC000630076251 388618733 /nfs/dbraw/zinc/61/87/33/388618733.db2.gz IVHOMPSOKPSVMA-GHMZBOCLSA-N 0 3 225.292 0.381 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCCNC(C)=O ZINC000521615641 388619171 /nfs/dbraw/zinc/61/91/71/388619171.db2.gz CWSVUOGCXXNXKS-GFCCVEGCSA-N 0 3 227.352 0.539 20 0 BCADHN CCCn1cc(CNC[C@H]2COCCN2)cn1 ZINC000530181829 388622618 /nfs/dbraw/zinc/62/26/18/388622618.db2.gz OFQKJAMVEPLENQ-LBPRGKRZSA-N 0 3 238.335 0.371 20 0 BCADHN Oc1cccc(CNC[C@H]2COCCN2)c1 ZINC000530181283 388623221 /nfs/dbraw/zinc/62/32/21/388623221.db2.gz KZPASFYBHYQKLM-NSHDSACASA-N 0 3 222.288 0.470 20 0 BCADHN CCc1ncc(CNC[C@@H]2COCCN2)s1 ZINC000530181304 388623249 /nfs/dbraw/zinc/62/32/49/388623249.db2.gz LQBBBNQSJQIHFU-SECBINFHSA-N 0 3 241.360 0.784 20 0 BCADHN Cn1cncc1CN[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000551220903 388623355 /nfs/dbraw/zinc/62/33/55/388623355.db2.gz LDWGRNYPKFUPSF-DGCLKSJQSA-N 0 3 248.330 0.567 20 0 BCADHN COC[C@@H](C)N1CCC(NC(N)=O)CC1 ZINC000175753165 388628609 /nfs/dbraw/zinc/62/86/09/388628609.db2.gz RMIIYEXZIRWWRM-MRVPVSSYSA-N 0 3 215.297 0.154 20 0 BCADHN C[C@H](CO)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000246336610 388630970 /nfs/dbraw/zinc/63/09/70/388630970.db2.gz OAKYIACTSKDGEN-UTLUCORTSA-N 0 3 241.335 0.292 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1)c1cnccn1 ZINC000530220109 388631854 /nfs/dbraw/zinc/63/18/54/388631854.db2.gz IVRKWWHTSDBUHE-VHSXEESVSA-N 0 3 222.292 0.116 20 0 BCADHN CC(C)OCCCN1CCN(C[C@H](C)O)CC1 ZINC000189346529 388632414 /nfs/dbraw/zinc/63/24/14/388632414.db2.gz DDGKBOVSPUMIBO-ZDUSSCGKSA-N 0 3 244.379 0.800 20 0 BCADHN CN(CCN)Cc1coc(S(C)(=O)=O)c1 ZINC000530222265 388633200 /nfs/dbraw/zinc/63/32/00/388633200.db2.gz GWBZFWXVDWMVIE-UHFFFAOYSA-N 0 3 232.305 0.074 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NC[C@@H]1COCCN1 ZINC000530224134 388634539 /nfs/dbraw/zinc/63/45/39/388634539.db2.gz QXZMQZDEVDNAEJ-GXSJLCMTSA-N 0 3 238.335 0.368 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1)c1cnn(C)c1 ZINC000530226050 388635289 /nfs/dbraw/zinc/63/52/89/388635289.db2.gz VPSFTSMMFJEDRJ-GXSJLCMTSA-N 0 3 224.308 0.059 20 0 BCADHN C[C@H](NC[C@H]1COCCN1)c1cnn(C)c1 ZINC000530226053 388635618 /nfs/dbraw/zinc/63/56/18/388635618.db2.gz VPSFTSMMFJEDRJ-ONGXEEELSA-N 0 3 224.308 0.059 20 0 BCADHN O[C@H](CNCC12CC(C1)CO2)c1ccccn1 ZINC000530240229 388638259 /nfs/dbraw/zinc/63/82/59/388638259.db2.gz BZSVPLVURWHADF-YXMLORGKSA-N 0 3 234.299 0.884 20 0 BCADHN CCCOc1ccc(CNC[C@H](O)CO)cc1 ZINC000083367148 388639186 /nfs/dbraw/zinc/63/91/86/388639186.db2.gz BBUHQGLDHTVMKS-LBPRGKRZSA-N 0 3 239.315 0.918 20 0 BCADHN C[C@@H](O)CN(CCOCC(F)F)[C@@H](C)CO ZINC000190073389 388647418 /nfs/dbraw/zinc/64/74/18/388647418.db2.gz VTYVBCPBWYXHGC-DTWKUNHWSA-N 0 3 241.278 0.332 20 0 BCADHN NC1(C(=O)N2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000083835618 388648302 /nfs/dbraw/zinc/64/83/02/388648302.db2.gz WGMREITVGONYLC-DTWKUNHWSA-N 0 3 210.277 0.258 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCn1ccnc1C ZINC000261554917 388648342 /nfs/dbraw/zinc/64/83/42/388648342.db2.gz PKDYQDZLDOVPLM-GFCCVEGCSA-N 0 3 238.335 0.825 20 0 BCADHN [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1c[n-]nn1 ZINC000084213089 388653551 /nfs/dbraw/zinc/65/35/51/388653551.db2.gz OAAKVZUEALMWCF-HTQZYQBOSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cnn[n-]1 ZINC000084213089 388653554 /nfs/dbraw/zinc/65/35/54/388653554.db2.gz OAAKVZUEALMWCF-HTQZYQBOSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC000084213089 388653555 /nfs/dbraw/zinc/65/35/55/388653555.db2.gz OAAKVZUEALMWCF-HTQZYQBOSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1c[n-]nn1 ZINC000084213092 388653731 /nfs/dbraw/zinc/65/37/31/388653731.db2.gz OAAKVZUEALMWCF-YUMQZZPRSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cnn[n-]1 ZINC000084213092 388653733 /nfs/dbraw/zinc/65/37/33/388653733.db2.gz OAAKVZUEALMWCF-YUMQZZPRSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cn[n-]n1 ZINC000084213092 388653734 /nfs/dbraw/zinc/65/37/34/388653734.db2.gz OAAKVZUEALMWCF-YUMQZZPRSA-N 0 3 223.280 0.052 20 0 BCADHN CCc1nncn1CCNCc1c(C)cnn1C ZINC000552012146 388657416 /nfs/dbraw/zinc/65/74/16/388657416.db2.gz SFYVADNSWXHSGA-UHFFFAOYSA-N 0 3 248.334 0.672 20 0 BCADHN CCCN(C)S(=O)(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000123898039 388659321 /nfs/dbraw/zinc/65/93/21/388659321.db2.gz BHTUAPZOSLBCAG-AOOOYVTPSA-N 0 3 249.380 0.255 20 0 BCADHN CC(C(=O)NC[C@@]1(C)CCCO1)S(C)(=O)=O ZINC000124061308 388659998 /nfs/dbraw/zinc/65/99/98/388659998.db2.gz GYSFCSIKMAFUFJ-WCBMZHEXSA-N 0 3 249.332 0.105 20 0 BCADHN CC[C@H](N)C(=O)NCC[C@@H]1CCCCO1 ZINC000224057090 388660649 /nfs/dbraw/zinc/66/06/49/388660649.db2.gz WORSGFZEXWKIGE-UWVGGRQHSA-N 0 3 214.309 0.799 20 0 BCADHN CNC(=O)C1CN(C[C@@H](O)CC2CCCC2)C1 ZINC000191380061 388662882 /nfs/dbraw/zinc/66/28/82/388662882.db2.gz UCNDRYXIAJNUPG-LBPRGKRZSA-N 0 3 240.347 0.605 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](C)OC[C@H]1C ZINC000067572973 388735292 /nfs/dbraw/zinc/73/52/92/388735292.db2.gz WWPLIVYTAISOGP-MNOVXSKESA-N 0 3 228.336 0.962 20 0 BCADHN COCCOCCNC(=O)CN(C)C(C)C ZINC000067592681 388736995 /nfs/dbraw/zinc/73/69/95/388736995.db2.gz BOTMLFDBDGCYQJ-UHFFFAOYSA-N 0 3 232.324 0.106 20 0 BCADHN CO[C@@H]1CN(CCOCCO)CC[C@H]1C ZINC000251893852 388757292 /nfs/dbraw/zinc/75/72/92/388757292.db2.gz QMEGSCBUIYFSHW-GHMZBOCLSA-N 0 3 217.309 0.352 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2cnn(C)c2)C1 ZINC000194640436 388737604 /nfs/dbraw/zinc/73/76/04/388737604.db2.gz KIUZYCPEKSESBU-NSHDSACASA-N 0 3 236.319 0.634 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H]1CCCOC1 ZINC000194654508 388738695 /nfs/dbraw/zinc/73/86/95/388738695.db2.gz AAVBMKXHHOXNHI-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN CC(C)[C@H]1OCC[C@@H]1CNCc1cnnn1C ZINC000328625431 388739850 /nfs/dbraw/zinc/73/98/50/388739850.db2.gz KTAWHRANXYALBG-ZYHUDNBSSA-N 0 3 238.335 0.966 20 0 BCADHN COC[C@H](C)CNC(=O)NC[C@H]1CCCN1C ZINC000194690091 388740123 /nfs/dbraw/zinc/74/01/23/388740123.db2.gz NBWSEJFVIHHVDC-GHMZBOCLSA-N 0 3 243.351 0.662 20 0 BCADHN CNC(=O)CCN1CCOC[C@H]1C1CC1 ZINC000090008727 388744295 /nfs/dbraw/zinc/74/42/95/388744295.db2.gz NELQEHSOCDFPPS-JTQLQIEISA-N 0 3 212.293 0.233 20 0 BCADHN CCCCN1CCC(CS(N)(=O)=O)CC1 ZINC000089991357 388744508 /nfs/dbraw/zinc/74/45/08/388744508.db2.gz DQLRYYVLXFBGDK-UHFFFAOYSA-N 0 3 234.365 0.787 20 0 BCADHN CCN(C)CCNC(=O)NCCn1ccnc1 ZINC000194834716 388744665 /nfs/dbraw/zinc/74/46/65/388744665.db2.gz DAHISTOQNYAXKI-UHFFFAOYSA-N 0 3 239.323 0.134 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000227327310 388747754 /nfs/dbraw/zinc/74/77/54/388747754.db2.gz HZNFRFISFOSYJB-OPRDCNLKSA-N 0 3 214.309 0.534 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc(C)cn1 ZINC000227346386 388748641 /nfs/dbraw/zinc/74/86/41/388748641.db2.gz FDYBCCBIFSVXLP-QMMMGPOBSA-N 0 3 209.249 0.302 20 0 BCADHN CO[C@H](CN)C(=O)NCc1nc(C)cs1 ZINC000227370455 388748648 /nfs/dbraw/zinc/74/86/48/388748648.db2.gz KINUPCJNZSSOCA-SSDOTTSWSA-N 0 3 229.305 0.041 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cccc(C)n1 ZINC000227346377 388749466 /nfs/dbraw/zinc/74/94/66/388749466.db2.gz BFKWACJPHZTEJT-MRVPVSSYSA-N 0 3 209.249 0.302 20 0 BCADHN CCN(C)C(=O)CNC(C)(C)C(C)(C)O ZINC000227343581 388749473 /nfs/dbraw/zinc/74/94/73/388749473.db2.gz TWDZBIRXOVTTRZ-UHFFFAOYSA-N 0 3 216.325 0.604 20 0 BCADHN CO[C@H](CN)C(=O)NC1C(C)(C)C1(C)C ZINC000227390701 388749923 /nfs/dbraw/zinc/74/99/23/388749923.db2.gz MYBZLNNWWAZZNX-SSDOTTSWSA-N 0 3 214.309 0.511 20 0 BCADHN CO[C@@H](CN)C(=O)NCC1(C)CCCC1 ZINC000227384500 388750085 /nfs/dbraw/zinc/75/00/85/388750085.db2.gz NDVLPWMWKMAONA-VIFPVBQESA-N 0 3 214.309 0.657 20 0 BCADHN CO[C@H](CN)C(=O)NCc1sccc1C ZINC000227391748 388750116 /nfs/dbraw/zinc/75/01/16/388750116.db2.gz IYXGAURRGRANFW-MRVPVSSYSA-N 0 3 228.317 0.646 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cnn(C(C)C)c1 ZINC000227382127 388750137 /nfs/dbraw/zinc/75/01/37/388750137.db2.gz CZCSWONNSKZZSZ-VIFPVBQESA-N 0 3 226.280 0.376 20 0 BCADHN CC[C@H]1CCN(C(=O)[C@@H](CN)OC)C1 ZINC000227402742 388750429 /nfs/dbraw/zinc/75/04/29/388750429.db2.gz KPDUVCBXLOZDHZ-DTWKUNHWSA-N 0 3 200.282 0.219 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cncc(C)c1 ZINC000227414472 388751619 /nfs/dbraw/zinc/75/16/19/388751619.db2.gz KKOKCMAREMRCSP-VIFPVBQESA-N 0 3 209.249 0.302 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000227408742 388751706 /nfs/dbraw/zinc/75/17/06/388751706.db2.gz FKAPPLLJVTVNNM-HRDYMLBCSA-N 0 3 200.282 0.217 20 0 BCADHN C[C@H](O)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000553223879 388754884 /nfs/dbraw/zinc/75/48/84/388754884.db2.gz FLHIBVZGXQRTCQ-WOPDTQHZSA-N 0 3 240.347 0.558 20 0 BCADHN CC[C@@H](C)N1CCN(CCO)[C@H](C)C1 ZINC000192834495 388687372 /nfs/dbraw/zinc/68/73/72/388687372.db2.gz APOWUSHNKUASRI-GHMZBOCLSA-N 0 3 200.326 0.783 20 0 BCADHN CCCN(C(=O)CCOC)[C@H]1CCN(C)C1 ZINC000648999867 388690607 /nfs/dbraw/zinc/69/06/07/388690607.db2.gz ITMQMQJKTVCZFQ-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000552328331 388693921 /nfs/dbraw/zinc/69/39/21/388693921.db2.gz SFCXRMMLWAQHAN-JBLDHEPKSA-N 0 3 240.347 0.745 20 0 BCADHN CCCN(C(=O)c1cc[nH]n1)[C@@H]1CCN(C)C1 ZINC000649002665 388694991 /nfs/dbraw/zinc/69/49/91/388694991.db2.gz KSOMHQNYWIXKGZ-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN CCCN(C(=O)c1ccn[nH]1)[C@@H]1CCN(C)C1 ZINC000649002665 388694995 /nfs/dbraw/zinc/69/49/95/388694995.db2.gz KSOMHQNYWIXKGZ-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN CCCN(C(=O)COCC)[C@@H]1CCN(C)C1 ZINC000649004987 388698116 /nfs/dbraw/zinc/69/81/16/388698116.db2.gz MKDJCEDFHNZFLU-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)C[C@@H]1CCCO1 ZINC000193267419 388698343 /nfs/dbraw/zinc/69/83/43/388698343.db2.gz PIVNWHDDXUOWJU-IUCAKERBSA-N 0 3 249.332 0.057 20 0 BCADHN NC(=O)[C@H]1CCCCN1CC[C@H]1CCCO1 ZINC000248932595 388699979 /nfs/dbraw/zinc/69/99/79/388699979.db2.gz BMDFBVQZGIYBSJ-GHMZBOCLSA-N 0 3 226.320 0.895 20 0 BCADHN C[C@H](CO)N(CCc1ccccn1)C[C@H](C)O ZINC000248932197 388699994 /nfs/dbraw/zinc/69/99/94/388699994.db2.gz MPFXWAIQXPJATA-NEPJUHHUSA-N 0 3 238.331 0.688 20 0 BCADHN Cc1nnc(NC(=O)[C@H]2CCN(C)C2)s1 ZINC000522147192 388705786 /nfs/dbraw/zinc/70/57/86/388705786.db2.gz XASDWVFNLBVMTJ-ZETCQYMHSA-N 0 3 226.305 0.737 20 0 BCADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CC(=O)N(C)C1CC1 ZINC000249039411 388705888 /nfs/dbraw/zinc/70/58/88/388705888.db2.gz MSYZVXGOIONRMJ-PEGIJTEDSA-N 0 3 240.347 0.841 20 0 BCADHN COC(=O)[C@H](C)CN(C)[C@H]1CCCN(C)C1=O ZINC000538703561 388707393 /nfs/dbraw/zinc/70/73/93/388707393.db2.gz OTMHAPZUZYNMMS-ZJUUUORDSA-N 0 3 242.319 0.348 20 0 BCADHN CC[C@@H](C)N1CCN(CCO)[C@@H](C)C1 ZINC000249203386 388710417 /nfs/dbraw/zinc/71/04/17/388710417.db2.gz APOWUSHNKUASRI-MNOVXSKESA-N 0 3 200.326 0.783 20 0 BCADHN Cn1cc(CCNC[C@@H](O)C(F)(F)F)cn1 ZINC000087766321 388713101 /nfs/dbraw/zinc/71/31/01/388713101.db2.gz RQPSOHZIMYBLJI-MRVPVSSYSA-N 0 3 237.225 0.475 20 0 BCADHN CO[C@@H]1CCCN(CCN2CCO[C@H](C)C2)C1 ZINC000249295248 388715352 /nfs/dbraw/zinc/71/53/52/388715352.db2.gz QVMRLUDWFNKEMJ-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN CCC[C@@H](C)[N@@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000249292549 388715362 /nfs/dbraw/zinc/71/53/62/388715362.db2.gz QARKKHUTBZSNOX-SKDRFNHKSA-N 0 3 239.319 0.849 20 0 BCADHN CCC[C@@H](C)[N@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000249292549 388715363 /nfs/dbraw/zinc/71/53/63/388715363.db2.gz QARKKHUTBZSNOX-SKDRFNHKSA-N 0 3 239.319 0.849 20 0 BCADHN COC[C@@H](C)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000249368021 388715464 /nfs/dbraw/zinc/71/54/64/388715464.db2.gz MVRJFEXZYSEMOH-VXGBXAGGSA-N 0 3 244.379 0.798 20 0 BCADHN CSC[C@H](O)CN(C)CC[C@H](C)O ZINC000249291112 388715749 /nfs/dbraw/zinc/71/57/49/388715749.db2.gz VSTFIXLMEGPAIM-DTWKUNHWSA-N 0 3 207.339 0.413 20 0 BCADHN CO[C@@H]1CCCN(CCN2CCO[C@@H](C)C2)C1 ZINC000249295250 388715790 /nfs/dbraw/zinc/71/57/90/388715790.db2.gz QVMRLUDWFNKEMJ-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN CCC1(CNC(=O)CNCCOC)CC1 ZINC000226343906 388716205 /nfs/dbraw/zinc/71/62/05/388716205.db2.gz PQTPHGGDRUQUEG-UHFFFAOYSA-N 0 3 214.309 0.529 20 0 BCADHN CCOC[C@H](O)CN1CCCOCC1 ZINC000068951129 388718758 /nfs/dbraw/zinc/71/87/58/388718758.db2.gz OXBRTZPHSSLPLS-SNVBAGLBSA-N 0 3 203.282 0.106 20 0 BCADHN CCC[C@H](C)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000249390438 388719150 /nfs/dbraw/zinc/71/91/50/388719150.db2.gz RGTZGSGBGDVNMO-IVZWLZJFSA-N 0 3 214.309 0.750 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@](C)(O)C2)CCO1 ZINC000249403765 388721116 /nfs/dbraw/zinc/72/11/16/388721116.db2.gz WRKPNILKCYMMKZ-NEPJUHHUSA-N 0 3 228.336 0.164 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@H](COC)C1 ZINC000226562821 388722606 /nfs/dbraw/zinc/72/26/06/388722606.db2.gz QWBQHJAKLCISEI-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN CO[C@H](C)CN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000249460449 388723215 /nfs/dbraw/zinc/72/32/15/388723215.db2.gz ZEFAKIYBIULORB-SDDRHHMPSA-N 0 3 230.352 0.408 20 0 BCADHN C[C@H](O)CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000249512292 388725583 /nfs/dbraw/zinc/72/55/83/388725583.db2.gz ILOSXVSDEFBNGZ-MNOVXSKESA-N 0 3 230.352 0.144 20 0 BCADHN C[C@H]1CN(C[C@H]2CCCCO2)CCN1CCO ZINC000249531037 388726849 /nfs/dbraw/zinc/72/68/49/388726849.db2.gz AYQCBABKNUOXLT-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN CC[C@@]1(CO)CCCN([C@H](C)C(=O)N(C)C)C1 ZINC000249581634 388727901 /nfs/dbraw/zinc/72/79/01/388727901.db2.gz RHNMFSCUPJJDDS-DGCLKSJQSA-N 0 3 242.363 0.948 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@H](C)OC ZINC000249704729 388731671 /nfs/dbraw/zinc/73/16/71/388731671.db2.gz LZBPOJPTQWGZBX-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H](NC[C@H](O)CN(C)C)c1cscn1 ZINC000127846804 388732971 /nfs/dbraw/zinc/73/29/71/388732971.db2.gz AMQIXCKKGRCBSQ-IUCAKERBSA-N 0 3 229.349 0.716 20 0 BCADHN Cn1cc(C(=O)N2CCCN(C)CC2)ccc1=O ZINC000127855500 388733128 /nfs/dbraw/zinc/73/31/28/388733128.db2.gz YUHGOWYOLGVGRQ-UHFFFAOYSA-N 0 3 249.314 0.163 20 0 BCADHN CN1CCC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC000249810534 388733366 /nfs/dbraw/zinc/73/33/66/388733366.db2.gz HWCNHXWNXHBPJP-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H](CO)NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000540277922 388801373 /nfs/dbraw/zinc/80/13/73/388801373.db2.gz UFOFHKXLOSRPFQ-QXEWZRGKSA-N 0 3 241.335 0.149 20 0 BCADHN COC[C@@H](C)CN1CCO[C@@]2(CCOC2)C1 ZINC000253294401 388813868 /nfs/dbraw/zinc/81/38/68/388813868.db2.gz GXNAAMOOQHCQEZ-RYUDHWBXSA-N 0 3 229.320 0.760 20 0 BCADHN COCCN(C)CCNC(=O)C(C)(C)COC ZINC000128429614 388758323 /nfs/dbraw/zinc/75/83/23/388758323.db2.gz YMKVDDQFVGRGAD-UHFFFAOYSA-N 0 3 246.351 0.353 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H](C)O)C1 ZINC000128447547 388760823 /nfs/dbraw/zinc/76/08/23/388760823.db2.gz JIFNPHMCXXQFOB-NEPJUHHUSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@H](CN1CCOCC1)N1CCSCC1 ZINC000091508725 388762917 /nfs/dbraw/zinc/76/29/17/388762917.db2.gz PTQUGUIVBHDVMH-LLVKDONJSA-N 0 3 230.377 0.756 20 0 BCADHN C/C=C/C=C\C(=O)NC[C@@H]1CNCCO1 ZINC000227972665 388763086 /nfs/dbraw/zinc/76/30/86/388763086.db2.gz FWBOABOPFOOODZ-WZKPRXTQSA-N 0 3 210.277 0.223 20 0 BCADHN CO[C@H](C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000068195841 388766282 /nfs/dbraw/zinc/76/62/82/388766282.db2.gz WTUHNLOPYNCWEH-DTWKUNHWSA-N 0 3 214.309 0.620 20 0 BCADHN CO[C@H]1CCCN([C@H](C)CN2CCOCC2)C1 ZINC000091555020 388766352 /nfs/dbraw/zinc/76/63/52/388766352.db2.gz JFZLZMXGWTTWFG-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H](C[S@](C)=O)NC[C@@H](O)C(F)(F)F ZINC000228988304 388778894 /nfs/dbraw/zinc/77/88/94/388778894.db2.gz MXKDOKXJENLWDW-PRGXOLQISA-N 0 3 233.255 0.266 20 0 BCADHN O=C(c1cc(C2CC2)n[nH]1)N1CCCNCC1 ZINC000229018275 388778910 /nfs/dbraw/zinc/77/89/10/388778910.db2.gz SKGULGSVBLOEAR-UHFFFAOYSA-N 0 3 234.303 0.723 20 0 BCADHN CNC(=O)CCCN(C)[C@@H]1CCCN(C)C1=O ZINC000539812574 388779240 /nfs/dbraw/zinc/77/92/40/388779240.db2.gz NVIPZKLPGMWQGE-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN COC[C@H]1CCCN([C@@H]2CCCN(C)C2=O)C1 ZINC000539811902 388779860 /nfs/dbraw/zinc/77/98/60/388779860.db2.gz YELZWIUVNZDBKY-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](O)C1CCN([C@H]2CCCN(C)C2=O)CC1 ZINC000539811987 388780242 /nfs/dbraw/zinc/78/02/42/388780242.db2.gz SDBGZVPDGAFNFI-PWSUYJOCSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CCCN(CCCS(N)(=O)=O)C1 ZINC000068455005 388787392 /nfs/dbraw/zinc/78/73/92/388787392.db2.gz IVYDDQXGDWDVCW-SECBINFHSA-N 0 3 220.338 0.397 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@@H](C)C(=O)NC(C)C ZINC000229385694 388787564 /nfs/dbraw/zinc/78/75/64/388787564.db2.gz GUVBYIBPFFVYMW-KXUCPTDWSA-N 0 3 216.325 0.913 20 0 BCADHN COC[C@@H](C)NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000539880861 388787947 /nfs/dbraw/zinc/78/79/47/388787947.db2.gz NDBTVVGMGPBUKW-MXWKQRLJSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@@H]1CCN([C@@H]2CC(=O)NC2=O)CC1(C)C ZINC000572539200 388789661 /nfs/dbraw/zinc/78/96/61/388789661.db2.gz YTCZDMJWZAZIJV-RKDXNWHRSA-N 0 3 224.304 0.770 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)C(C)(C)O)C1 ZINC000230106168 388815855 /nfs/dbraw/zinc/81/58/55/388815855.db2.gz GSIGHYGKLFFBNP-VIFPVBQESA-N 0 3 214.309 0.310 20 0 BCADHN C[C@@H](CO)CCCNCc1ccnn1C ZINC000230158477 388817318 /nfs/dbraw/zinc/81/73/18/388817318.db2.gz OSHRIZKBPLADLN-SNVBAGLBSA-N 0 3 211.309 0.918 20 0 BCADHN CC(C)N1CC[C@H](N[C@@H]2C[C@H](O)C2(C)C)C1=O ZINC000554512449 388818162 /nfs/dbraw/zinc/81/81/62/388818162.db2.gz ROHOHSCWNJUDPC-AXFHLTTASA-N 0 3 240.347 0.745 20 0 BCADHN CC[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC000554545983 388820900 /nfs/dbraw/zinc/82/09/00/388820900.db2.gz GYBCKVVGUBIJAN-OUAUKWLOSA-N 0 3 226.320 0.310 20 0 BCADHN CO[C@H]1CCCN(C(=O)C2(N)CCC2)C1 ZINC000230246889 388821726 /nfs/dbraw/zinc/82/17/26/388821726.db2.gz OIKPQVNDZDLVTF-VIFPVBQESA-N 0 3 212.293 0.505 20 0 BCADHN CN1CCC[C@H](N2CCC[C@@H](CO)C2)C1=O ZINC000540902195 388823623 /nfs/dbraw/zinc/82/36/23/388823623.db2.gz LMNMEQMOCVFHSP-MNOVXSKESA-N 0 3 226.320 0.312 20 0 BCADHN COCCN([C@H](C)C(N)=O)C1CCCC1 ZINC000093139523 388825376 /nfs/dbraw/zinc/82/53/76/388825376.db2.gz LANFHPSBQMJWQD-SECBINFHSA-N 0 3 214.309 0.751 20 0 BCADHN C[C@H](O)[C@H]1CCCN([C@@H]2CCCN(C)C2=O)C1 ZINC000540911386 388825684 /nfs/dbraw/zinc/82/56/84/388825684.db2.gz UMIWHBAMRMZYOO-SDDRHHMPSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CN([C@H]2CCCN(C)C2=O)CCCO1 ZINC000540910902 388825930 /nfs/dbraw/zinc/82/59/30/388825930.db2.gz CLUQMCPFZBMZTC-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN Cn1nnnc1N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000564239617 388830934 /nfs/dbraw/zinc/83/09/34/388830934.db2.gz DIRJGRLFJZQQQV-VHSXEESVSA-N 0 3 236.323 0.131 20 0 BCADHN Cn1nccc1CCN1CC[C@@](C)(O)C1 ZINC000230943509 388832362 /nfs/dbraw/zinc/83/23/62/388832362.db2.gz BOYCZTBAMZZYBV-LLVKDONJSA-N 0 3 209.293 0.419 20 0 BCADHN CCO[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000555657231 388858111 /nfs/dbraw/zinc/85/81/11/388858111.db2.gz PSKHJBKEBLSWRL-HBNTYKKESA-N 0 3 241.335 0.557 20 0 BCADHN COCCCCN1CCN(c2ncc[nH]2)CC1 ZINC000555669736 388858853 /nfs/dbraw/zinc/85/88/53/388858853.db2.gz SLUAYDKMCFLWEK-UHFFFAOYSA-N 0 3 238.335 0.958 20 0 BCADHN COc1ccc(C(=O)NCC(C)(C)[NH3+])c([O-])c1 ZINC000129611912 388859071 /nfs/dbraw/zinc/85/90/71/388859071.db2.gz FKZYHSLUABHEJZ-UHFFFAOYSA-N 0 3 238.287 0.868 20 0 BCADHN CN1CCC2(CC1)CN(C(=O)C1CC1)CCO2 ZINC000649136334 388861899 /nfs/dbraw/zinc/86/18/99/388861899.db2.gz GWNPEWJAHFAJGO-UHFFFAOYSA-N 0 3 238.331 0.720 20 0 BCADHN O=C(CNCc1ccc2[nH]cnc2c1)NC1CC1 ZINC000556057463 388864945 /nfs/dbraw/zinc/86/49/45/388864945.db2.gz FHHZWHBPQLDVKI-UHFFFAOYSA-N 0 3 244.298 0.931 20 0 BCADHN O=C(CNCc1ccc2nc[nH]c2c1)NC1CC1 ZINC000556057463 388864947 /nfs/dbraw/zinc/86/49/47/388864947.db2.gz FHHZWHBPQLDVKI-UHFFFAOYSA-N 0 3 244.298 0.931 20 0 BCADHN COCC[C@]1(NCC(=O)NC(C)C)CCOC1 ZINC000556054777 388865240 /nfs/dbraw/zinc/86/52/40/388865240.db2.gz QTOVWXZOIZTEGL-LBPRGKRZSA-N 0 3 244.335 0.296 20 0 BCADHN CSC[C@H](O)CN1CCN(C)C(C)(C)C1 ZINC000556083584 388866930 /nfs/dbraw/zinc/86/69/30/388866930.db2.gz NXUKDSPKWALILI-SNVBAGLBSA-N 0 3 232.393 0.736 20 0 BCADHN CN(CCNC(=O)NCC1(C)COC1)C1CC1 ZINC000523653661 388848840 /nfs/dbraw/zinc/84/88/40/388848840.db2.gz NMDICOZYJDVXHA-UHFFFAOYSA-N 0 3 241.335 0.416 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1ccc(=O)n(C)c1 ZINC000194697300 388879613 /nfs/dbraw/zinc/87/96/13/388879613.db2.gz GXINAUFLIVSMEA-LLVKDONJSA-N 0 3 249.314 0.209 20 0 BCADHN CC(C)[C@@H](C(=O)N1CN(C)C(=O)[C@@H]1C)N(C)C ZINC000649159458 388882176 /nfs/dbraw/zinc/88/21/76/388882176.db2.gz OKLXWGGAAJFSPS-UWVGGRQHSA-N 0 3 241.335 0.219 20 0 BCADHN O=C(COC1CNC1)N[C@H]1CCC[C@H](F)C1 ZINC000564803328 388890056 /nfs/dbraw/zinc/89/00/56/388890056.db2.gz KMLIJCRFRSKQIB-IUCAKERBSA-N 0 3 230.283 0.372 20 0 BCADHN COCCOCCn1cc2c(n1)[C@H](N)CCC2 ZINC000564840417 388892614 /nfs/dbraw/zinc/89/26/14/388892614.db2.gz HEGTYQROIJHOLE-LLVKDONJSA-N 0 3 239.319 0.882 20 0 BCADHN CCOC1CC(CCNC(=O)[C@H](CN)OC)C1 ZINC000564841557 388893196 /nfs/dbraw/zinc/89/31/96/388893196.db2.gz NWFUMNMPHKVMGQ-ILDUYXDCSA-N 0 3 244.335 0.282 20 0 BCADHN FC(F)[C@@H]1CNCCN1CCOCC1CC1 ZINC000564987094 388905749 /nfs/dbraw/zinc/90/57/49/388905749.db2.gz OVJPHBPUXLOMDF-JTQLQIEISA-N 0 3 234.290 0.952 20 0 BCADHN CNC(=O)C[C@H](NC(=O)[C@@H](C)N)c1ccccc1 ZINC000564993668 388906477 /nfs/dbraw/zinc/90/64/77/388906477.db2.gz MCXPMWHQKYIKOX-KOLCDFICSA-N 0 3 249.314 0.327 20 0 BCADHN Cc1ccn(C)c(=O)c1NC(=O)[C@@H](C)NC1CC1 ZINC000564991676 388906763 /nfs/dbraw/zinc/90/67/63/388906763.db2.gz XMZKSNUHBNEAEY-SECBINFHSA-N 0 3 249.314 0.773 20 0 BCADHN CN(C)[C@H]1CN(CCOCC2CC2)C[C@@H]1O ZINC000565170925 388921482 /nfs/dbraw/zinc/92/14/82/388921482.db2.gz KTKNCMVVWDVPNX-RYUDHWBXSA-N 0 3 228.336 0.020 20 0 BCADHN CCOC[C@@H](C)NC1CN(C(C)=O)C1 ZINC000565217841 388927114 /nfs/dbraw/zinc/92/71/14/388927114.db2.gz JWSORDBBOMSIPQ-MRVPVSSYSA-N 0 3 200.282 0.232 20 0 BCADHN CC(=O)N1CC(N[C@H](C)COC(C)C)C1 ZINC000565219080 388928590 /nfs/dbraw/zinc/92/85/90/388928590.db2.gz QUWSCIHKSMEOTP-SECBINFHSA-N 0 3 214.309 0.620 20 0 BCADHN CCNC(=O)NC(=O)CN1C[C@H]2CCC[C@@H]2C1 ZINC000153305656 388960379 /nfs/dbraw/zinc/96/03/79/388960379.db2.gz KZVMQHVZHTVAIO-NXEZZACHSA-N 0 3 239.319 0.564 20 0 BCADHN CNC(=O)CCC[N@H+](C)Cc1ncccc1[O-] ZINC000565682087 388961353 /nfs/dbraw/zinc/96/13/53/388961353.db2.gz AQDJZKVETWPRFZ-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN CNC(=O)CCC[N@@H+](C)Cc1ncccc1[O-] ZINC000565682087 388961356 /nfs/dbraw/zinc/96/13/56/388961356.db2.gz AQDJZKVETWPRFZ-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN COCCOC[C@@H](O)CN[C@@H](C)c1cn[nH]c1 ZINC000565711513 388964386 /nfs/dbraw/zinc/96/43/86/388964386.db2.gz CAVCPAITRANFDH-ONGXEEELSA-N 0 3 243.307 0.084 20 0 BCADHN CN[C@@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000565724436 388965569 /nfs/dbraw/zinc/96/55/69/388965569.db2.gz ONYQDGMMQYBMRT-LLVKDONJSA-N 0 3 232.283 0.576 20 0 BCADHN C[C@H](O)CCCN1CCC[C@@]12CCNC2=O ZINC000565313247 388937707 /nfs/dbraw/zinc/93/77/07/388937707.db2.gz OXPHHCOQGOMTGL-JQWIXIFHSA-N 0 3 226.320 0.502 20 0 BCADHN CC[C@H](NCc1cnc(C)n1C)[C@H](C)O ZINC000565314863 388937869 /nfs/dbraw/zinc/93/78/69/388937869.db2.gz NMRYRBCEHXIWMY-KWQFWETISA-N 0 3 211.309 0.978 20 0 BCADHN Cc1c[nH]cc1C(=O)N1CCN(C)C[C@@H]1CN ZINC000565363489 388939225 /nfs/dbraw/zinc/93/92/25/388939225.db2.gz YDRZCJJAMDFNNL-JTQLQIEISA-N 0 3 236.319 0.038 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cccc(N)n1 ZINC000565361047 388939354 /nfs/dbraw/zinc/93/93/54/388939354.db2.gz DXOYXFQZAMNSJM-DTWKUNHWSA-N 0 3 234.303 0.486 20 0 BCADHN Cc1ncc(CNCCNC(=O)C2CC2)n1C ZINC000565372681 388940042 /nfs/dbraw/zinc/94/00/42/388940042.db2.gz MVAUPQVZWJBUPA-UHFFFAOYSA-N 0 3 236.319 0.344 20 0 BCADHN CN[C@H](C)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000565547932 388952042 /nfs/dbraw/zinc/95/20/42/388952042.db2.gz GKHRSCBXQSDMPT-VPTHRUTESA-N 0 3 240.328 0.970 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccc(-c2cn(C)nn2)c1 ZINC000565549357 388954541 /nfs/dbraw/zinc/95/45/41/388954541.db2.gz MDRMTMUHXAKLIB-MRVPVSSYSA-N 0 3 245.286 0.768 20 0 BCADHN [O-]c1cccnc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000565590799 388955269 /nfs/dbraw/zinc/95/52/69/388955269.db2.gz GQHXTOIWKJQNAF-SNVBAGLBSA-N 0 3 222.288 0.992 20 0 BCADHN [O-]c1cccnc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000565590799 388955274 /nfs/dbraw/zinc/95/52/74/388955274.db2.gz GQHXTOIWKJQNAF-SNVBAGLBSA-N 0 3 222.288 0.992 20 0 BCADHN NC(=O)CCN[C@@H](CO)c1ccc(F)cc1 ZINC000565598676 388957289 /nfs/dbraw/zinc/95/72/89/388957289.db2.gz VDKWJTHLQYJLBY-JTQLQIEISA-N 0 3 226.251 0.324 20 0 BCADHN C[C@@H]1CCN([C@@H]2CC(=O)NC2=O)C[C@H]1C ZINC000565899856 388978436 /nfs/dbraw/zinc/97/84/36/388978436.db2.gz FIMAYEQUXMOIQQ-IWSPIJDZSA-N 0 3 210.277 0.379 20 0 BCADHN C[C@H](CC(=O)N1CCNC[C@@H]1C)n1ccnc1 ZINC000565956572 388980989 /nfs/dbraw/zinc/98/09/89/388980989.db2.gz ARLHANYFGJVNGA-MNOVXSKESA-N 0 3 236.319 0.655 20 0 BCADHN CCOC1CC(CN2CC(C)(C(N)=O)C2)C1 ZINC000566007344 388982299 /nfs/dbraw/zinc/98/22/99/388982299.db2.gz SYMKTXVKBPXTHZ-UHFFFAOYSA-N 0 3 226.320 0.609 20 0 BCADHN Cc1ccc(O)c(CN[C@@H]2CC(=O)N(C)C2)n1 ZINC000264025592 388991971 /nfs/dbraw/zinc/99/19/71/388991971.db2.gz BCAGFFPEFDGOKX-SECBINFHSA-N 0 3 235.287 0.416 20 0 BCADHN C[C@H](Cn1cccn1)NCC(=O)N1CCC1 ZINC000264398450 388992003 /nfs/dbraw/zinc/99/20/03/388992003.db2.gz UYYMOKPXXQQCGV-SNVBAGLBSA-N 0 3 222.292 0.094 20 0 BCADHN CN(CCCCO)Cc1cccc(C(N)=O)c1 ZINC000263991332 388992019 /nfs/dbraw/zinc/99/20/19/388992019.db2.gz KCDCHXMKRPKJRK-UHFFFAOYSA-N 0 3 236.315 0.990 20 0 BCADHN Cc1ccc(O)c(CN[C@H]2CC(=O)N(C)C2)n1 ZINC000264025593 388992153 /nfs/dbraw/zinc/99/21/53/388992153.db2.gz BCAGFFPEFDGOKX-VIFPVBQESA-N 0 3 235.287 0.416 20 0 BCADHN Cc1nc[nH]c1CNC(=O)C1(N)CCCCC1 ZINC000269277148 389008322 /nfs/dbraw/zinc/00/83/22/389008322.db2.gz XRQMYTWMRFFJPV-UHFFFAOYSA-N 0 3 236.319 0.996 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000271490330 389021273 /nfs/dbraw/zinc/02/12/73/389021273.db2.gz KIEQIBWLLIEOJW-IONNQARKSA-N 0 3 222.292 0.641 20 0 BCADHN CSCCN[C@@H](CO)c1cnn(C)c1 ZINC000275250593 389053617 /nfs/dbraw/zinc/05/36/17/389053617.db2.gz YOOOMQCUMVBJLQ-VIFPVBQESA-N 0 3 215.322 0.406 20 0 BCADHN Cn1cc([C@@H](CO)NCC2CCC2)cn1 ZINC000275146970 389053902 /nfs/dbraw/zinc/05/39/02/389053902.db2.gz FWKPMCYUTWQTHB-LLVKDONJSA-N 0 3 209.293 0.843 20 0 BCADHN Cn1cc([C@H](CO)NCC2CCC2)cn1 ZINC000275146972 389054616 /nfs/dbraw/zinc/05/46/16/389054616.db2.gz FWKPMCYUTWQTHB-NSHDSACASA-N 0 3 209.293 0.843 20 0 BCADHN C[C@H](NCCN1CCCC1=O)c1cnn(C)c1 ZINC000273380937 389041197 /nfs/dbraw/zinc/04/11/97/389041197.db2.gz MTXGCHGYLGFUFZ-JTQLQIEISA-N 0 3 236.319 0.693 20 0 BCADHN CCN(CCO)CCNCc1scnc1C ZINC000274431326 389045773 /nfs/dbraw/zinc/04/57/73/389045773.db2.gz SCFYEIYCBBYHKE-UHFFFAOYSA-N 0 3 243.376 0.855 20 0 BCADHN CC[C@@H](OC)C(=O)NC[C@@H]1CCCN1C ZINC000347729993 136003862 /nfs/dbraw/zinc/00/38/62/136003862.db2.gz ACSRNFSBWDXBCX-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H](N[C@H]1CCC[C@H]1OC(F)F)C(N)=O ZINC000348155413 136040902 /nfs/dbraw/zinc/04/09/02/136040902.db2.gz YWEHGTZQKYFQAI-LYFYHCNISA-N 0 3 222.235 0.610 20 0 BCADHN COCCCCN(C)C[C@H]1CN(C)C(=O)O1 ZINC000497028043 533251077 /nfs/dbraw/zinc/25/10/77/533251077.db2.gz LSEHEOGCNZEGAG-JTQLQIEISA-N 0 3 230.308 0.795 20 0 BCADHN COC(=O)CC1(NC(=O)/C=C\CN(C)C)CC1 ZINC000493638973 533309207 /nfs/dbraw/zinc/30/92/07/533309207.db2.gz BVDPSWCKISUDNP-PLNGDYQASA-N 0 3 240.303 0.316 20 0 BCADHN C(CN1CCN2CCOC[C@H]2C1)C1CC1 ZINC000336180436 533360024 /nfs/dbraw/zinc/36/00/24/533360024.db2.gz NOWJBIVHKIWRNP-GFCCVEGCSA-N 0 3 210.321 0.803 20 0 BCADHN CC[C@@](C)(NCCOC[C@@H]1CCCO1)C(N)=O ZINC000533533684 322828043 /nfs/dbraw/zinc/82/80/43/322828043.db2.gz JEOKHXUEQLLRNA-CMPLNLGQSA-N 0 3 244.335 0.426 20 0 BCADHN C[C@H]1CN(c2ncnc3nc[nH]c32)CCN1 ZINC000052783312 132229097 /nfs/dbraw/zinc/22/90/97/132229097.db2.gz TUYZCUSDVHPRAP-ZETCQYMHSA-N 0 3 218.264 0.151 20 0 BCADHN N[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCOC2)C1 ZINC000070195485 132230243 /nfs/dbraw/zinc/23/02/43/132230243.db2.gz YRGCWXGPQGBSIO-NEPJUHHUSA-N 0 3 246.310 0.940 20 0 BCADHN CCc1nnc(N2CCNC[C@H]2C)nc1CC ZINC000097838479 132242536 /nfs/dbraw/zinc/24/25/36/132242536.db2.gz RTRZMGVDUAGVJU-SECBINFHSA-N 0 3 235.335 0.795 20 0 BCADHN Cc1cc(N2CCC[C@H](O)C2)nc(N)n1 ZINC000004967519 132317124 /nfs/dbraw/zinc/31/71/24/132317124.db2.gz GYRJVQMYFWROIQ-QMMMGPOBSA-N 0 3 208.265 0.328 20 0 BCADHN Cc1cccc(N2CCN(C(=O)CN)CC2)c1C ZINC000011805423 132320858 /nfs/dbraw/zinc/32/08/58/132320858.db2.gz BSEGSUHAHXLQMP-UHFFFAOYSA-N 0 3 247.342 0.911 20 0 BCADHN Cc1cc(N2CCN(C)CC2)nc(N)n1 ZINC000026521350 132333540 /nfs/dbraw/zinc/33/35/40/132333540.db2.gz YUSOSBOKYGGFKB-UHFFFAOYSA-N 0 3 207.281 0.119 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000040413375 132347271 /nfs/dbraw/zinc/34/72/71/132347271.db2.gz MJKAIALXRDCBPC-SNVBAGLBSA-N 0 3 249.314 0.809 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)NCC1(C)COC1 ZINC000082694074 133505170 /nfs/dbraw/zinc/50/51/70/133505170.db2.gz HOKFDBIGNDDHPJ-ZJUUUORDSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CCOC2)[C@H](C)CN1 ZINC000083118189 133517762 /nfs/dbraw/zinc/51/77/62/133517762.db2.gz QJCGMDMIFPYBQA-OPRDCNLKSA-N 0 3 212.293 0.232 20 0 BCADHN CCN(CCO)CCNC(=O)N[C@H]1CC1(C)C ZINC000347121631 133805116 /nfs/dbraw/zinc/80/51/16/133805116.db2.gz BPZSVOUGLKSTMG-JTQLQIEISA-N 0 3 243.351 0.398 20 0 BCADHN Cc1ccccc1-c1noc(=O)n1CCN ZINC000335446760 133848726 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JSSMHXSCUDQUBR-UHFFFAOYSA-N 0 3 210.325 0.944 20 0 BCADHN CO[C@H](C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000168656576 134239828 /nfs/dbraw/zinc/23/98/28/134239828.db2.gz DVUPBDMNYHBKNG-MXWKQRLJSA-N 0 3 242.319 0.001 20 0 BCADHN O=C(NCc1ccc(=O)[nH]c1)[C@]1(F)CCNC1 ZINC000169177472 134249718 /nfs/dbraw/zinc/24/97/18/134249718.db2.gz DLKPJTOMPCPXLJ-NSHDSACASA-N 0 3 239.250 0.105 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(N)cn1)N(C)C1CC1 ZINC000217952741 134251182 /nfs/dbraw/zinc/25/11/82/134251182.db2.gz RWKUTDGCCWPOTH-VIFPVBQESA-N 0 3 248.330 0.876 20 0 BCADHN O=C(CN1CC[C@H](N2CCCC2)C1)NC1CC1 ZINC000170713684 134253092 /nfs/dbraw/zinc/25/30/92/134253092.db2.gz OZCFINFYOBTJIF-LBPRGKRZSA-N 0 3 237.347 0.435 20 0 BCADHN O=C(CN1CC[C@@H](N2CCCC2)C1)NC1CC1 ZINC000170713680 134253257 /nfs/dbraw/zinc/25/32/57/134253257.db2.gz OZCFINFYOBTJIF-GFCCVEGCSA-N 0 3 237.347 0.435 20 0 BCADHN C[C@H]1CCCN1CC(=O)N1CCNC1=O ZINC000173980829 134276835 /nfs/dbraw/zinc/27/68/35/134276835.db2.gz DVVILRGMWNYYHM-QMMMGPOBSA-N 0 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ZINC000176439961 134291952 /nfs/dbraw/zinc/29/19/52/134291952.db2.gz DJUBJCGDHNNXHN-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN COC(=O)CNC(=O)CN1CC[C@@H](C)[C@H]1C ZINC000177065274 134297352 /nfs/dbraw/zinc/29/73/52/134297352.db2.gz VMPLDBLYWQYBSF-RKDXNWHRSA-N 0 3 228.292 0.006 20 0 BCADHN OCCn1nccc1C1CCN(CCO)CC1 ZINC000177698348 134301205 /nfs/dbraw/zinc/30/12/05/134301205.db2.gz UMECHOVNKRKUJN-UHFFFAOYSA-N 0 3 239.319 0.047 20 0 BCADHN CCCC(=O)NC[C@@H]1CCCN(CCO)C1 ZINC000177701069 134301604 /nfs/dbraw/zinc/30/16/04/134301604.db2.gz HYOFQBQGXSEQBH-NSHDSACASA-N 0 3 228.336 0.607 20 0 BCADHN COC(=O)[C@H](C)CC(=O)NC[C@@H]1CCCN1C ZINC000178196291 134304421 /nfs/dbraw/zinc/30/44/21/134304421.db2.gz WCHFYJXRPGYBIT-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@@H]1[C@@H](C)CCN1CCNS(C)(=O)=O ZINC000177897732 134304611 /nfs/dbraw/zinc/30/46/11/134304611.db2.gz JQPTUDVBBJXVMN-DTWKUNHWSA-N 0 3 220.338 0.266 20 0 BCADHN Cn1cnc(C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000178233174 134305510 /nfs/dbraw/zinc/30/55/10/134305510.db2.gz YIZWOWQFDGTHPD-NSHDSACASA-N 0 3 248.330 0.730 20 0 BCADHN COC[C@H](C)N(C)C(=O)[C@]1(F)CCNC1 ZINC000178431900 134310706 /nfs/dbraw/zinc/31/07/06/134310706.db2.gz ZRZXFRXSGQWULB-WPRPVWTQSA-N 0 3 218.272 0.181 20 0 BCADHN COC1CC(NCC(=O)NC(C)(C)C)C1 ZINC000220835217 134316208 /nfs/dbraw/zinc/31/62/08/134316208.db2.gz XIVKMNHBTSFDPL-UHFFFAOYSA-N 0 3 214.309 0.668 20 0 BCADHN COCCOCCN1CCC[C@H]1CC(=O)OC ZINC000179149968 134317745 /nfs/dbraw/zinc/31/77/45/134317745.db2.gz LPPYJXBQOYWGDT-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN OC1C[C@H]2CC[C@@H](C1)N2Cc1cnc[nH]1 ZINC000179956843 134325306 /nfs/dbraw/zinc/32/53/06/134325306.db2.gz PUPCGMQYGDQNJM-ZACCUICWSA-N 0 3 207.277 0.897 20 0 BCADHN CNC(=O)[C@H]1CN(C[Si](C)(C)C)CCO1 ZINC000180243860 134328513 /nfs/dbraw/zinc/32/85/13/134328513.db2.gz FKGGWBZEGDEIAY-SECBINFHSA-N 0 3 230.384 0.311 20 0 BCADHN CCN(C)CCNC(=O)c1c(C)cc[nH]c1=O ZINC000180777784 134331445 /nfs/dbraw/zinc/33/14/45/134331445.db2.gz VZWHDTGVDOMHPX-UHFFFAOYSA-N 0 3 237.303 0.777 20 0 BCADHN CS(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000222576513 134332715 /nfs/dbraw/zinc/33/27/15/134332715.db2.gz PANOJVZCFGKTCB-BDAKNGLRSA-N 0 3 218.322 0.162 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@H](N)C(C)(C)C ZINC000223718527 134339099 /nfs/dbraw/zinc/33/90/99/134339099.db2.gz SWIVETAUORGWMF-YUMQZZPRSA-N 0 3 202.298 0.511 20 0 BCADHN O[C@@H]1CCCN(CCO[C@@H]2CCCCO2)C1 ZINC000223701350 134339365 /nfs/dbraw/zinc/33/93/65/134339365.db2.gz XCEWHNZGFYOZCO-VXGBXAGGSA-N 0 3 229.320 0.986 20 0 BCADHN CCCN(CC(=O)N(C)C)C[C@@H](C)OC ZINC000182078722 134341258 /nfs/dbraw/zinc/34/12/58/134341258.db2.gz DZCBXHUQDZEHPA-SNVBAGLBSA-N 0 3 216.325 0.822 20 0 BCADHN CC[C@H](COC)N[C@H](C(=O)NC)C(C)C ZINC000183211430 134352861 /nfs/dbraw/zinc/35/28/61/134352861.db2.gz WMHFNMWMGNJQDR-ZJUUUORDSA-N 0 3 216.325 0.772 20 0 BCADHN CCCC[C@H](CCC)NC(=O)C(=O)NCCN ZINC000225926644 134357795 /nfs/dbraw/zinc/35/77/95/134357795.db2.gz DONTUXIWHSXYFX-JTQLQIEISA-N 0 3 243.351 0.536 20 0 BCADHN CCC[C@H](C)NC(=O)[C@@H](C)N1CC[C@@H](CO)C1 ZINC000225979295 134358113 /nfs/dbraw/zinc/35/81/13/134358113.db2.gz CJWIEZGZWIHHSL-QJPTWQEYSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCOCC1CC1 ZINC000226326468 134360268 /nfs/dbraw/zinc/36/02/68/134360268.db2.gz AEDFFTFDGQCYOW-GXSJLCMTSA-N 0 3 228.336 0.903 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCCOCC1CC1 ZINC000226326474 134360402 /nfs/dbraw/zinc/36/04/02/134360402.db2.gz AEDFFTFDGQCYOW-KOLCDFICSA-N 0 3 228.336 0.903 20 0 BCADHN Cc1cnn(CCNC(=O)[C@H](N)CC(C)C)c1 ZINC000226675563 134368593 /nfs/dbraw/zinc/36/85/93/134368593.db2.gz BYUPHJYSACNSTC-LLVKDONJSA-N 0 3 238.335 0.681 20 0 BCADHN C[C@@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)N(C)C ZINC000184843652 134369278 /nfs/dbraw/zinc/36/92/78/134369278.db2.gz GVDQADWSBBHOFS-UTLUCORTSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)NC(=O)CN[C@H]1CCCC[C@@H]1C(N)=O ZINC000184814443 134369466 /nfs/dbraw/zinc/36/94/66/134369466.db2.gz MQCJENSDHIQZMW-UWVGGRQHSA-N 0 3 241.335 0.145 20 0 BCADHN C(C1CCOCC1)N1CCO[C@]2(CCOC2)C1 ZINC000185169628 134372159 /nfs/dbraw/zinc/37/21/59/134372159.db2.gz KGMQNRVJDJHTSF-CYBMUJFWSA-N 0 3 241.331 0.904 20 0 BCADHN CC(C)CNC(=O)CN(C)CCCCCO ZINC000227114373 134372802 /nfs/dbraw/zinc/37/28/02/134372802.db2.gz VHBTXOVPSAMLEG-UHFFFAOYSA-N 0 3 230.352 0.853 20 0 BCADHN CC[C@H](C)NC(=O)CN(C)CCCCCO ZINC000227118269 134373197 /nfs/dbraw/zinc/37/31/97/134373197.db2.gz DXTJPYYMHAOGIP-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN CN(CCCCCO)CCN1CCNC1=O ZINC000227117502 134373303 /nfs/dbraw/zinc/37/33/03/134373303.db2.gz TVGLZXBDUKKHCD-UHFFFAOYSA-N 0 3 229.324 0.106 20 0 BCADHN CCN(C)C(=O)CN[C@H](CCO)C(C)C ZINC000227014272 134373787 /nfs/dbraw/zinc/37/37/87/134373787.db2.gz DAZKHEDCXWPBQI-SNVBAGLBSA-N 0 3 216.325 0.461 20 0 BCADHN CCOC(=O)COCCN1CC[C@H](C)[C@@H]1CO ZINC000227048130 134374202 /nfs/dbraw/zinc/37/42/02/134374202.db2.gz HHFMQTZMQISJOB-QWRGUYRKSA-N 0 3 245.319 0.269 20 0 BCADHN CC(=O)CCCC(=O)NC[C@](C)(O)CN(C)C ZINC000185542485 134381810 /nfs/dbraw/zinc/38/18/10/134381810.db2.gz GGDISVMABUPSSN-LBPRGKRZSA-N 0 3 244.335 0.175 20 0 BCADHN CCN(CCNC(=O)COCCOC)C1CC1 ZINC000227553705 134383269 /nfs/dbraw/zinc/38/32/69/134383269.db2.gz PLHFFMPFUSROQN-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN COC[C@H](CNCc1ccn(C)c1)OC ZINC000227705438 134385128 /nfs/dbraw/zinc/38/51/28/134385128.db2.gz IDGZXUOHOVVRDK-NSHDSACASA-N 0 3 212.293 0.776 20 0 BCADHN COC(=O)C1(O)CCN(C[C@H]2CCOC2)CC1 ZINC000408078907 134388371 /nfs/dbraw/zinc/38/83/71/134388371.db2.gz KTTSMZIOJZWSIU-SNVBAGLBSA-N 0 3 243.303 0.023 20 0 BCADHN CC[C@H](O)CNC(=O)C12CCCN1CCC2 ZINC000408112372 134394718 /nfs/dbraw/zinc/39/47/18/134394718.db2.gz KICYIUPNBMTDIF-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN C[C@@]1(C(N)=O)CCCCN1C[C@@H]1CCCO1 ZINC000185883050 134397853 /nfs/dbraw/zinc/39/78/53/134397853.db2.gz XIHVMESCEQIIIV-JQWIXIFHSA-N 0 3 226.320 0.895 20 0 BCADHN COCCNCC(=O)NCCCOC(C)C ZINC000082285125 134416589 /nfs/dbraw/zinc/41/65/89/134416589.db2.gz CLRJNICZQAFUDK-UHFFFAOYSA-N 0 3 232.324 0.154 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)CC ZINC000231854250 134545009 /nfs/dbraw/zinc/54/50/09/134545009.db2.gz JMHQFTXAKBVXSW-GUBZILKMSA-N 0 3 243.351 0.343 20 0 BCADHN CC1CC(NC[C@H]2CCCS2(=O)=O)C1 ZINC000231789113 134545379 /nfs/dbraw/zinc/54/53/79/134545379.db2.gz YWKSNERDOPADOC-UDNWOFFPSA-N 0 3 217.334 0.952 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@@H](C)CC(=O)N(C)C ZINC000189397240 134546606 /nfs/dbraw/zinc/54/66/06/134546606.db2.gz AZMXWNAEHDPDEM-UWVGGRQHSA-N 0 3 243.351 0.310 20 0 BCADHN CC[C@H](C)N1CCN([C@@H](C)C(=O)OC)CC1 ZINC000055067899 134774418 /nfs/dbraw/zinc/77/44/18/134774418.db2.gz IYJLIYJTMHXFRT-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@@H](C)CCO ZINC000162289820 134844798 /nfs/dbraw/zinc/84/47/98/134844798.db2.gz HXANUIDXPCTCLT-UWVGGRQHSA-N 0 3 237.365 0.418 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CC[C@H](N2CCCC2)C1 ZINC000066156853 134882750 /nfs/dbraw/zinc/88/27/50/134882750.db2.gz 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ZINC000071023817 135017851 /nfs/dbraw/zinc/01/78/51/135017851.db2.gz HMEBGZBQTLFDCV-NXEZZACHSA-N 0 3 214.309 0.799 20 0 BCADHN Cc1noc([C@@H]2CCCN(C[C@H](C)O)C2)n1 ZINC000248648077 135018546 /nfs/dbraw/zinc/01/85/46/135018546.db2.gz JGNGMCKWJNVKHD-WCBMZHEXSA-N 0 3 225.292 0.938 20 0 BCADHN C[C@H](O)CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000248643806 135018745 /nfs/dbraw/zinc/01/87/45/135018745.db2.gz FANNOAYUVZVUPE-VHSXEESVSA-N 0 3 209.293 0.970 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CC[C@@H](O)C1)N(C)C ZINC000248872530 135024204 /nfs/dbraw/zinc/02/42/04/135024204.db2.gz BBGJXSMIJLDJDD-GMTAPVOTSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](O)CCN(C)CCN1CCOC[C@@H]1C ZINC000248895314 135026418 /nfs/dbraw/zinc/02/64/18/135026418.db2.gz BLJICSICXYYWFG-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1CCc1ccccn1 ZINC000249279723 135027051 /nfs/dbraw/zinc/02/70/51/135027051.db2.gz FYWYETZMBAKRGZ-NWDGAFQWSA-N 0 3 222.288 0.052 20 0 BCADHN O=C1NC[C@H]2CN(CC[C@H]3CCCO3)CCN12 ZINC000248942308 135027716 /nfs/dbraw/zinc/02/77/16/135027716.db2.gz CVQHKQAARSVDIG-WDEREUQCSA-N 0 3 239.319 0.265 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC[C@@H](O)C1 ZINC000248985658 135029065 /nfs/dbraw/zinc/02/90/65/135029065.db2.gz DZYMJEQBHPVFIT-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@H]1COCCN1CCN1CCC[C@@H](CO)C1 ZINC000249057399 135030419 /nfs/dbraw/zinc/03/04/19/135030419.db2.gz PBYOJTIKVSTDOA-QWHCGFSZSA-N 0 3 242.363 0.411 20 0 BCADHN CSCCN1CCN(C[C@H](C)O)C[C@H]1C ZINC000249050464 135031051 /nfs/dbraw/zinc/03/10/51/135031051.db2.gz OEBPYIWPQIZLEC-MNOVXSKESA-N 0 3 232.393 0.736 20 0 BCADHN CC1(C)CN(CC2(O)CCCC2)C[C@@H](CO)O1 ZINC000163653564 135031494 /nfs/dbraw/zinc/03/14/94/135031494.db2.gz XLAUETVZASKBCD-NSHDSACASA-N 0 3 243.347 0.763 20 0 BCADHN CCNC(=O)CNCC1(SC)CCC1 ZINC000233474960 135034072 /nfs/dbraw/zinc/03/40/72/135034072.db2.gz MSDMRJDANHBVDX-UHFFFAOYSA-N 0 3 216.350 0.998 20 0 BCADHN C[C@H]1CN(CCN(C)C[C@H]2CCCO2)CCO1 ZINC000249118928 135034627 /nfs/dbraw/zinc/03/46/27/135034627.db2.gz 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/nfs/dbraw/zinc/06/20/79/135062079.db2.gz UTNCOWOYIISQLQ-JLIMGVALSA-N 0 3 226.320 0.653 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000236902510 135067244 /nfs/dbraw/zinc/06/72/44/135067244.db2.gz JEPPGQAJQYHORS-CIUDSAMLSA-N 0 3 202.298 0.247 20 0 BCADHN CCCC[C@H](N)C(=O)NCC(C)(C)C(=O)OC ZINC000236788603 135067641 /nfs/dbraw/zinc/06/76/41/135067641.db2.gz IUPFVRFXBRWHFW-VIFPVBQESA-N 0 3 244.335 0.819 20 0 BCADHN COc1ccc([C@@H](O)CNC(=O)[C@@H](C)N)cc1 ZINC000237247391 135070386 /nfs/dbraw/zinc/07/03/86/135070386.db2.gz GAGYIRODMLOXPS-KCJUWKMLSA-N 0 3 238.287 0.192 20 0 BCADHN COC(=O)[C@@H]1CN(Cc2ccnc(N)c2)C[C@H]1C ZINC000251853308 135078875 /nfs/dbraw/zinc/07/88/75/135078875.db2.gz RRBKRRKREPFKES-MWLCHTKSSA-N 0 3 249.314 0.905 20 0 BCADHN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CN ZINC000251855520 135079358 /nfs/dbraw/zinc/07/93/58/135079358.db2.gz RXUIICOHDKVPIY-ZJUUUORDSA-N 0 3 211.309 0.030 20 0 BCADHN C[C@H]1CN2CCCC[C@H]2CN1C(=O)CN ZINC000251855519 135079395 /nfs/dbraw/zinc/07/93/95/135079395.db2.gz RXUIICOHDKVPIY-UWVGGRQHSA-N 0 3 211.309 0.030 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)[C@@H](C)CO1 ZINC000246234099 135082359 /nfs/dbraw/zinc/08/23/59/135082359.db2.gz IAVIBJGUOYDYEM-IQJOONFLSA-N 0 3 230.283 0.324 20 0 BCADHN CCOC[C@@H](O)CN1CCSC[C@H]1C ZINC000246569644 135083096 /nfs/dbraw/zinc/08/30/96/135083096.db2.gz LUUYZJFRQKSZLW-ZJUUUORDSA-N 0 3 219.350 0.821 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)Cn1cccn1 ZINC000252388503 135088184 /nfs/dbraw/zinc/08/81/84/135088184.db2.gz DWLGMEKKHURUHJ-HBNTYKKESA-N 0 3 238.335 0.761 20 0 BCADHN COC(=O)[C@@H](C)N(C)C[C@H]1CCCN1C ZINC000252570705 135092051 /nfs/dbraw/zinc/09/20/51/135092051.db2.gz AKACMCBEIBLHKP-NXEZZACHSA-N 0 3 214.309 0.574 20 0 BCADHN c1cc(CNC[C@@H]2CN3CCC[C@H]3CO2)n[nH]1 ZINC000252666708 135095355 /nfs/dbraw/zinc/09/53/55/135095355.db2.gz AVJNNZSQOACWEH-NWDGAFQWSA-N 0 3 236.319 0.363 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCOC2)CCN1C ZINC000252698157 135098452 /nfs/dbraw/zinc/09/84/52/135098452.db2.gz LKSKLBPFVJWXJZ-MXWKQRLJSA-N 0 3 241.335 0.557 20 0 BCADHN CC1(CNCC(=O)NCC(F)(F)F)COC1 ZINC000087197521 135112472 /nfs/dbraw/zinc/11/24/72/135112472.db2.gz OZQOAVHZRVASOQ-UHFFFAOYSA-N 0 3 240.225 0.291 20 0 BCADHN CCCCNC(=O)[C@H](C)N[C@H](C)[C@H](C)CO ZINC000252952930 135117397 /nfs/dbraw/zinc/11/73/97/135117397.db2.gz PXGSEBTXOSTCJE-MXWKQRLJSA-N 0 3 230.352 0.898 20 0 BCADHN CCCN(C)S(=O)(=O)N1CCN[C@H](C)[C@H]1C ZINC000262759083 135121810 /nfs/dbraw/zinc/12/18/10/135121810.db2.gz IVUHMGLUQDXONJ-NXEZZACHSA-N 0 3 249.380 0.255 20 0 BCADHN CCN(C)C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000253205093 135124861 /nfs/dbraw/zinc/12/48/61/135124861.db2.gz FHWMQOYNYNPVHM-OPQQBVKSSA-N 0 3 240.347 0.997 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@H](C)CCCO ZINC000087360119 135125084 /nfs/dbraw/zinc/12/50/84/135125084.db2.gz CHGNWWHYPWIGOA-ZJUUUORDSA-N 0 3 216.325 0.637 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)CCCO ZINC000087360179 135125223 /nfs/dbraw/zinc/12/52/23/135125223.db2.gz IYNBWKNRNPSADW-AEJSXWLSSA-N 0 3 216.325 0.637 20 0 BCADHN C[C@@H](CCCO)NC(=O)[C@@H]1CCCCN1 ZINC000087360111 135125321 /nfs/dbraw/zinc/12/53/21/135125321.db2.gz FTINTNFCOSXYHO-UWVGGRQHSA-N 0 3 214.309 0.406 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@H](C)CCCO ZINC000087360128 135125366 /nfs/dbraw/zinc/12/53/66/135125366.db2.gz GODFSDIMBAAQIA-NXEZZACHSA-N 0 3 216.325 0.781 20 0 BCADHN C[C@H]1CN(CCN2CCOCC2)CC[C@H]1O ZINC000253305418 135126184 /nfs/dbraw/zinc/12/61/84/135126184.db2.gz SJFQGYUSJFLCMX-NWDGAFQWSA-N 0 3 228.336 0.021 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@H](N)C(C)C ZINC000087370219 135127216 /nfs/dbraw/zinc/12/72/16/135127216.db2.gz CSVCBOSHGHKZJX-NXEZZACHSA-N 0 3 216.325 0.495 20 0 BCADHN CCN1CCCN(CC(=O)N2CCCC2)CC1 ZINC000078517909 135129175 /nfs/dbraw/zinc/12/91/75/135129175.db2.gz YPPKTDQJYZDXBF-UHFFFAOYSA-N 0 3 239.363 0.636 20 0 BCADHN C[C@H]1CCCN(CCNC(=O)[C@H]2CCOC2)C1 ZINC000255293205 135129445 /nfs/dbraw/zinc/12/94/45/135129445.db2.gz SCXFPLMLCLJVNB-RYUDHWBXSA-N 0 3 240.347 0.871 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N[C@@H]1CCOC1 ZINC000087416031 135130232 /nfs/dbraw/zinc/13/02/32/135130232.db2.gz CKOCVNUTFMWQFE-IVZWLZJFSA-N 0 3 214.309 0.668 20 0 BCADHN C[C@H](O)C(=O)N(C)CC1CCN(C)CC1 ZINC000258676165 135132849 /nfs/dbraw/zinc/13/28/49/135132849.db2.gz CNPIKLKMIZBJIY-VIFPVBQESA-N 0 3 214.309 0.167 20 0 BCADHN CC1(C)CC(N[C@H]2CCS(=O)(=O)C2)C1 ZINC000258789961 135134331 /nfs/dbraw/zinc/13/43/31/135134331.db2.gz GOZRWEDEWQPWJL-QMMMGPOBSA-N 0 3 217.334 0.952 20 0 BCADHN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000257755368 135142086 /nfs/dbraw/zinc/14/20/86/135142086.db2.gz NPUSPJNIHUWHPP-WDEREUQCSA-N 0 3 226.320 0.877 20 0 BCADHN C[C@@H](C(=O)[O-])[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000257755368 135142088 /nfs/dbraw/zinc/14/20/88/135142088.db2.gz NPUSPJNIHUWHPP-WDEREUQCSA-N 0 3 226.320 0.877 20 0 BCADHN C[C@@H](C(=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000257755368 135142089 /nfs/dbraw/zinc/14/20/89/135142089.db2.gz NPUSPJNIHUWHPP-WDEREUQCSA-N 0 3 226.320 0.877 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)C[NH3+])o1 ZINC000259347558 135142751 /nfs/dbraw/zinc/14/27/51/135142751.db2.gz YNFDOULGDAZOOZ-ZETCQYMHSA-N 0 3 232.305 0.461 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@@H](COC)C1CC1 ZINC000087478426 135143095 /nfs/dbraw/zinc/14/30/95/135143095.db2.gz MZSSEECYLGPDBJ-SCZZXKLOSA-N 0 3 214.309 0.526 20 0 BCADHN COC[C@@H](N[C@@H](C)C(=O)N(C)C)C1CC1 ZINC000087478421 135143520 /nfs/dbraw/zinc/14/35/20/135143520.db2.gz XLALRERQQGVDOW-WCBMZHEXSA-N 0 3 214.309 0.478 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC000259814767 135145039 /nfs/dbraw/zinc/14/50/39/135145039.db2.gz CXRPWLQJUGALNI-ZJUUUORDSA-N 0 3 242.319 0.348 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)C1CCN(C)CC1 ZINC000259971326 135145968 /nfs/dbraw/zinc/14/59/68/135145968.db2.gz MEKBDGSSDGHBAM-SECBINFHSA-N 0 3 242.319 0.254 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)C1CCN(C)CC1 ZINC000260131910 135146647 /nfs/dbraw/zinc/14/66/47/135146647.db2.gz RVGJJQUPVPIVGN-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN COC(=O)C[C@@]1(NC[C@H]2CCCO2)CCOC1 ZINC000260336118 135148035 /nfs/dbraw/zinc/14/80/35/135148035.db2.gz LTSVZORLACTKKM-PWSUYJOCSA-N 0 3 243.303 0.477 20 0 BCADHN CCOC(=O)CCN1CCN(CC)C[C@@H]1C ZINC000261092331 135149160 /nfs/dbraw/zinc/14/91/60/135149160.db2.gz VSWQRNBNBNVUGS-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCOC(=O)CCN1CCN(C)C[C@H]1C ZINC000261098654 135149501 /nfs/dbraw/zinc/14/95/01/135149501.db2.gz XSIDHUYVTSGRBX-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN Cc1ccc([O-])c(CN2CC[C@H]([NH3+])C2)n1 ZINC000261527346 135151208 /nfs/dbraw/zinc/15/12/08/135151208.db2.gz YYLRWHOUYMOLJK-VIFPVBQESA-N 0 3 207.277 0.629 20 0 BCADHN CCn1cnc2c1ncnc2N(C)CCN(C)C ZINC000267029299 135151335 /nfs/dbraw/zinc/15/13/35/135151335.db2.gz LCRYSUWFYZJHBA-UHFFFAOYSA-N 0 3 248.334 0.844 20 0 BCADHN COCCC(=O)N1CCN[C@H](C)[C@H]1C ZINC000261528968 135155071 /nfs/dbraw/zinc/15/50/71/135155071.db2.gz YANBYRQAEIXYOV-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@H]1CN(Cc2cnc(N)s2)C[C@H]1O ZINC000261529351 135156129 /nfs/dbraw/zinc/15/61/29/135156129.db2.gz APLABRRIBSVNMJ-IONNQARKSA-N 0 3 227.333 0.928 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)NC1CCC1 ZINC000261532282 135162239 /nfs/dbraw/zinc/16/22/39/135162239.db2.gz ABPGKNUWCCTEFX-JTQLQIEISA-N 0 3 212.293 0.424 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)C2(N)CCC2)C1(C)C ZINC000261534768 135168089 /nfs/dbraw/zinc/16/80/89/135168089.db2.gz UBYRZLTURLQGIN-IUCAKERBSA-N 0 3 226.320 0.798 20 0 BCADHN [NH3+][C@H]1C[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000261535518 135169934 /nfs/dbraw/zinc/16/99/34/135169934.db2.gz OKKJBHBWDPUMHJ-LJGSYFOKSA-N 0 3 232.330 0.516 20 0 BCADHN COC[C@H](O)CNCc1ccc(C)cn1 ZINC000087782532 135170014 /nfs/dbraw/zinc/17/00/14/135170014.db2.gz WPPSACLFMPRTNG-LLVKDONJSA-N 0 3 210.277 0.487 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000261536001 135170248 /nfs/dbraw/zinc/17/02/48/135170248.db2.gz QANDSPFKZRNAMH-OPRDCNLKSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@@H]1CCCN1C(=O)C(N)C(F)(F)F ZINC000261537191 135174143 /nfs/dbraw/zinc/17/41/43/135174143.db2.gz VDTWTQOIVHFULO-PHDIDXHHSA-N 0 3 210.199 0.887 20 0 BCADHN CCCOCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000261540067 135178671 /nfs/dbraw/zinc/17/86/71/135178671.db2.gz DRSIMJVQFGFIPH-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CSC[C@@H](C)NC(=O)CCOC1CNC1 ZINC000261541425 135181073 /nfs/dbraw/zinc/18/10/73/135181073.db2.gz FWFKMNJFWBOIGL-MRVPVSSYSA-N 0 3 232.349 0.233 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000261541668 135181705 /nfs/dbraw/zinc/18/17/05/135181705.db2.gz LUHQUYBOISJXEW-SDDRHHMPSA-N 0 3 234.299 0.632 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)nn1C ZINC000261541928 135182292 /nfs/dbraw/zinc/18/22/92/135182292.db2.gz MQVGPGIDTIJWEN-SCZZXKLOSA-N 0 3 236.319 0.551 20 0 BCADHN CC(C)OCC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000261550032 135189154 /nfs/dbraw/zinc/18/91/54/135189154.db2.gz PDKCTWJZNBCKGF-ZJUUUORDSA-N 0 3 214.309 0.620 20 0 BCADHN CC(C)OCC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000261550030 135189541 /nfs/dbraw/zinc/18/95/41/135189541.db2.gz PDKCTWJZNBCKGF-UWVGGRQHSA-N 0 3 214.309 0.620 20 0 BCADHN CC[C@@H](NC(=O)CNC)C1CCOCC1 ZINC000261552811 135192243 /nfs/dbraw/zinc/19/22/43/135192243.db2.gz RVBGQKZNYKUTIS-SNVBAGLBSA-N 0 3 214.309 0.527 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000084238716 135194649 /nfs/dbraw/zinc/19/46/49/135194649.db2.gz QIGKIWBJRYRFJO-GUBZILKMSA-N 0 3 214.309 0.391 20 0 BCADHN CNCC(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000261555140 135195458 /nfs/dbraw/zinc/19/54/58/135195458.db2.gz UTGKBKHWWSYGJG-ZJUUUORDSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@H](N)C(=O)Nc1nc2c(s1)COCC2 ZINC000261557307 135197656 /nfs/dbraw/zinc/19/76/56/135197656.db2.gz XEWHFUULFCOZKD-YFKPBYRVSA-N 0 3 227.289 0.502 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)CC1CCCCC1)C(N)=O ZINC000261562591 135204277 /nfs/dbraw/zinc/20/42/77/135204277.db2.gz WKIIJFZWZIEJTO-WPRPVWTQSA-N 0 3 241.335 0.274 20 0 BCADHN Cc1nccn1CCNC(=O)C1(N)CCCC1 ZINC000261565438 135208002 /nfs/dbraw/zinc/20/80/02/135208002.db2.gz YJTZEAHICBERBZ-UHFFFAOYSA-N 0 3 236.319 0.579 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@H]1CCCCN1 ZINC000261570730 135212855 /nfs/dbraw/zinc/21/28/55/135212855.db2.gz HDVCEYZNZCGDEH-DTWKUNHWSA-N 0 3 228.292 0.196 20 0 BCADHN O[C@@H](CNCc1ccco1)[C@H]1CCOC1 ZINC000164174453 135213785 /nfs/dbraw/zinc/21/37/85/135213785.db2.gz HHVDWEBXWWSLNL-ONGXEEELSA-N 0 3 211.261 0.767 20 0 BCADHN OC1(C2CC2)CN(CC2(O)CCCC2)C1 ZINC000084377168 135215512 /nfs/dbraw/zinc/21/55/12/135215512.db2.gz YRPFHBGTOLEVHA-UHFFFAOYSA-N 0 3 211.305 0.748 20 0 BCADHN Cn1cccc1CNC[C@H](O)[C@@H]1CCOC1 ZINC000164205735 135216247 /nfs/dbraw/zinc/21/62/47/135216247.db2.gz SZIUGNWHDVGKOK-PWSUYJOCSA-N 0 3 224.304 0.512 20 0 BCADHN NC1(C(=O)Nc2nnc(C(F)F)s2)CC1 ZINC000261575410 135216805 /nfs/dbraw/zinc/21/68/05/135216805.db2.gz JQWZQFJLGOXHIQ-UHFFFAOYSA-N 0 3 234.231 0.906 20 0 BCADHN CC(C)N(C)CC(=O)N1CCNC(C)(C)C1 ZINC000261579919 135221024 /nfs/dbraw/zinc/22/10/24/135221024.db2.gz MPAZFMQXVMWHHX-UHFFFAOYSA-N 0 3 227.352 0.537 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000261584354 135225044 /nfs/dbraw/zinc/22/50/44/135225044.db2.gz PRVWRMQFVLXMRO-KXUCPTDWSA-N 0 3 212.293 0.361 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000261596831 135236123 /nfs/dbraw/zinc/23/61/23/135236123.db2.gz YYHSVLOTIDHARG-POYBYMJQSA-N 0 3 240.225 0.249 20 0 BCADHN NC(=O)NC1CCN(Cc2cccc(N)c2)CC1 ZINC000261751757 135249944 /nfs/dbraw/zinc/24/99/44/135249944.db2.gz WKAVYOJAQVMUNX-UHFFFAOYSA-N 0 3 248.330 0.902 20 0 BCADHN CCCCN(CCCO)CC(=O)N(C)CC ZINC000342282224 135255625 /nfs/dbraw/zinc/25/56/25/135255625.db2.gz OCWURWLUCLVJMB-UHFFFAOYSA-N 0 3 230.352 0.949 20 0 BCADHN CCCCN(CCCO)[C@@H]1CCCNC1=O ZINC000342279101 135255851 /nfs/dbraw/zinc/25/58/51/135255851.db2.gz JTVDWZUTISTLCN-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN C[C@@H](N)C(=O)NCc1nncn1-c1ccccc1 ZINC000261863078 135258052 /nfs/dbraw/zinc/25/80/52/135258052.db2.gz PWLODGGDJIFRRR-SECBINFHSA-N 0 3 245.286 0.231 20 0 BCADHN CC[C@H]1CN(C(=O)C2CCN(C)CC2)C[C@H]1O ZINC000342265277 135259570 /nfs/dbraw/zinc/25/95/70/135259570.db2.gz LKHSKGQYEHOXPE-CMPLNLGQSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000261895644 135260673 /nfs/dbraw/zinc/26/06/73/135260673.db2.gz XLVJYTUNDASJTK-KOLCDFICSA-N 0 3 226.320 0.609 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCCO ZINC000342340487 135265118 /nfs/dbraw/zinc/26/51/18/135265118.db2.gz QYAAFLHMTGRFJR-ONGXEEELSA-N 0 3 241.335 0.151 20 0 BCADHN CCCN(C)CC(=O)NCCc1cnccn1 ZINC000342424148 135267548 /nfs/dbraw/zinc/26/75/48/135267548.db2.gz KXFRKQQWDYQBNU-UHFFFAOYSA-N 0 3 236.319 0.477 20 0 BCADHN COCCC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000342466513 135277973 /nfs/dbraw/zinc/27/79/73/135277973.db2.gz PNMOSVAYNXAUBJ-GXSJLCMTSA-N 0 3 226.320 0.622 20 0 BCADHN c1cc(CN2CCNC[C@H]2c2ccncc2)n[nH]1 ZINC000262092225 135278287 /nfs/dbraw/zinc/27/82/87/135278287.db2.gz UXCBUBDDDSEWPE-ZDUSSCGKSA-N 0 3 243.314 0.951 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC000262113609 135279932 /nfs/dbraw/zinc/27/99/32/135279932.db2.gz HPZSDUXQACPJPM-QWRGUYRKSA-N 0 3 242.363 0.883 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCCC(=O)N(C)C ZINC000262115059 135280044 /nfs/dbraw/zinc/28/00/44/135280044.db2.gz IEEAEVBUUNWHJH-LBPRGKRZSA-N 0 3 243.351 0.489 20 0 BCADHN CCN(CC1CC1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000262171429 135283533 /nfs/dbraw/zinc/28/35/33/135283533.db2.gz VDPPTLXPUPQLCT-VHSXEESVSA-N 0 3 214.284 0.945 20 0 BCADHN C[C@@H](C[S@@](C)=O)N(C)CCC(=O)N(C)C ZINC000342628696 135297382 /nfs/dbraw/zinc/29/73/82/135297382.db2.gz GXYAJRHSNVNSCZ-BJOHPYRUSA-N 0 3 234.365 0.164 20 0 BCADHN CCNC(=O)CN(C)[C@H]1CCN(C(C)C)C1 ZINC000342628856 135297981 /nfs/dbraw/zinc/29/79/81/135297981.db2.gz BLRUENVRDCKSGI-NSHDSACASA-N 0 3 227.352 0.537 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262462150 135300380 /nfs/dbraw/zinc/30/03/80/135300380.db2.gz KGZQSAVTFAMELR-DJLDLDEBSA-N 0 3 226.320 0.653 20 0 BCADHN CO[C@@H](CNC(=O)[C@H]1CCCCN1)C(C)C ZINC000262455528 135300545 /nfs/dbraw/zinc/30/05/45/135300545.db2.gz TVJGATNKELLORF-MNOVXSKESA-N 0 3 228.336 0.916 20 0 BCADHN CCCCN1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366782844 135300635 /nfs/dbraw/zinc/30/06/35/135300635.db2.gz CCOZCWZNTSNDEI-NXEZZACHSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCCCN1)C[C@H](C)O ZINC000262481361 135301867 /nfs/dbraw/zinc/30/18/67/135301867.db2.gz RYKUPQFKDGXQPS-VWYCJHECSA-N 0 3 228.336 0.652 20 0 BCADHN NC(=O)CCCN[C@@H](C(N)=O)c1ccccc1 ZINC000079303195 135306476 /nfs/dbraw/zinc/30/64/76/135306476.db2.gz GLHQLEBPJYQEQJ-LLVKDONJSA-N 0 3 235.287 0.068 20 0 BCADHN C[C@H](NC(=O)NCCN(C)C)c1cn[nH]c1 ZINC000342667840 135308291 /nfs/dbraw/zinc/30/82/91/135308291.db2.gz UPVKPWKURBLKJJ-QMMMGPOBSA-N 0 3 225.296 0.332 20 0 BCADHN CC[C@@H]1CCN(C(=O)[C@@H](N)CCC(=O)OC)C1 ZINC000342664072 135308832 /nfs/dbraw/zinc/30/88/32/135308832.db2.gz XHMFACHOQWVCIA-ZJUUUORDSA-N 0 3 242.319 0.525 20 0 BCADHN O=C(CNCC1CC1)Nc1ccnc2ccnn21 ZINC000262626930 135309553 /nfs/dbraw/zinc/30/95/53/135309553.db2.gz LJPZPEWKWNFOSD-UHFFFAOYSA-N 0 3 245.286 0.667 20 0 BCADHN NC1(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000262643294 135311305 /nfs/dbraw/zinc/31/13/05/135311305.db2.gz SLTBBVGTOXHZCX-BBBLOLIVSA-N 0 3 224.304 0.552 20 0 BCADHN COCCNCCNC(=O)[C@@H]1CC12CCCC2 ZINC000262659104 135311606 /nfs/dbraw/zinc/31/16/06/135311606.db2.gz MMFUCAVUQBFWNP-NSHDSACASA-N 0 3 240.347 0.919 20 0 BCADHN COCCNCCNC(=O)[C@H]1CC12CCCC2 ZINC000262659103 135311669 /nfs/dbraw/zinc/31/16/69/135311669.db2.gz MMFUCAVUQBFWNP-LLVKDONJSA-N 0 3 240.347 0.919 20 0 BCADHN NC1(C(=O)NCc2nc3ccccc3[nH]2)CC1 ZINC000262708666 135314775 /nfs/dbraw/zinc/31/47/75/135314775.db2.gz OJTJUBQHVVITEO-UHFFFAOYSA-N 0 3 230.271 0.670 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCO[C@H](COC)C1 ZINC000262696701 135314955 /nfs/dbraw/zinc/31/49/55/135314955.db2.gz FDKBGJHVAIOZNP-CMPLNLGQSA-N 0 3 244.335 0.378 20 0 BCADHN Cc1c(C(=O)N2CCN[C@@H](C)[C@H]2C)cnn1C ZINC000262737633 135316412 /nfs/dbraw/zinc/31/64/12/135316412.db2.gz CYDNDNIHFXUJEU-DTWKUNHWSA-N 0 3 236.319 0.551 20 0 BCADHN CNCC(=O)N[C@H]1CCO[C@@H](CC(C)C)C1 ZINC000262761083 135317669 /nfs/dbraw/zinc/31/76/69/135317669.db2.gz RNJMYZFTVFKBSR-QWRGUYRKSA-N 0 3 228.336 0.916 20 0 BCADHN Cc1cccc(S(=O)(=O)[N-][C@@H](C)C[NH3+])c1F ZINC000262814177 135320055 /nfs/dbraw/zinc/32/00/55/135320055.db2.gz YYTABQOKPSJHNU-QMMMGPOBSA-N 0 3 246.307 0.760 20 0 BCADHN COCCOCCN1CCN(C(C)C)CC1 ZINC000079399057 135320165 /nfs/dbraw/zinc/32/01/65/135320165.db2.gz LLHKCEJCEDBCCA-UHFFFAOYSA-N 0 3 230.352 0.675 20 0 BCADHN C[C@H]1NCCN(C(=O)COCC2CC2)[C@@H]1C ZINC000262821562 135320290 /nfs/dbraw/zinc/32/02/90/135320290.db2.gz SOZMNZFKGYBVNO-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN O=C1[N-]C(=O)C2(CC[NH+](CC3CCC3)CC2)N1 ZINC000334165183 135322920 /nfs/dbraw/zinc/32/29/20/135322920.db2.gz ADGLONWKGSCFQS-UHFFFAOYSA-N 0 3 237.303 0.461 20 0 BCADHN CC(=O)C1(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000334165437 135323162 /nfs/dbraw/zinc/32/31/62/135323162.db2.gz AIWUHQUYBAVHLN-ONGXEEELSA-N 0 3 238.331 0.955 20 0 BCADHN NS(=O)(=O)C[C@H]1CCCN1[C@H]1C=CCCC1 ZINC000334165364 135323216 /nfs/dbraw/zinc/32/32/16/135323216.db2.gz AFFXFJCUABNQEM-WDEREUQCSA-N 0 3 244.360 0.848 20 0 BCADHN COCCC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000334166060 135323521 /nfs/dbraw/zinc/32/35/21/135323521.db2.gz AOZHCXSHXADOCO-CYBMUJFWSA-N 0 3 240.347 0.967 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1CC[C@@H](C)C1 ZINC000342759640 135325841 /nfs/dbraw/zinc/32/58/41/135325841.db2.gz ZXUGKYNVWMWEIW-BDAKNGLRSA-N 0 3 228.292 0.135 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NCC1CCC1 ZINC000342756770 135325939 /nfs/dbraw/zinc/32/59/39/135325939.db2.gz VPOOEGZESHCJFN-SECBINFHSA-N 0 3 228.292 0.183 20 0 BCADHN C[C@H]1CSCCN1CCN1CCOCC1 ZINC000334275916 135332629 /nfs/dbraw/zinc/33/26/29/135332629.db2.gz RNOPGBRZMJIHSL-NSHDSACASA-N 0 3 230.377 0.756 20 0 BCADHN CC(C)C(=O)NC1CCN(CCCCO)CC1 ZINC000343007025 135344469 /nfs/dbraw/zinc/34/44/69/135344469.db2.gz KTQNKMIUMFAJGA-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CC(F)(F)CN1 ZINC000263317202 135346502 /nfs/dbraw/zinc/34/65/02/135346502.db2.gz ZQTYMGKLOGIAFL-MRVPVSSYSA-N 0 3 235.278 0.052 20 0 BCADHN C[C@@H](F)CCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000334304461 135347117 /nfs/dbraw/zinc/34/71/17/135347117.db2.gz FXXKNCDFUDLBMF-KCJUWKMLSA-N 0 3 243.282 0.409 20 0 BCADHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(C)(=O)=O ZINC000334305503 135348610 /nfs/dbraw/zinc/34/86/10/135348610.db2.gz CVVRTXQFGLDJCU-ZJUUUORDSA-N 0 3 232.349 0.505 20 0 BCADHN CC[C@H]1CCN1C(=O)C(C)S(C)(=O)=O ZINC000334307359 135350208 /nfs/dbraw/zinc/35/02/08/135350208.db2.gz DIGCZBAQAIENLZ-SFYZADRCSA-N 0 3 219.306 0.430 20 0 BCADHN C[C@H](O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000334336120 135356599 /nfs/dbraw/zinc/35/65/99/135356599.db2.gz RRFMIYVRZAFMAY-JQWIXIFHSA-N 0 3 226.320 0.312 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)O ZINC000343129792 135359215 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/nfs/dbraw/zinc/39/04/84/135390484.db2.gz NFZDLQXZLUKSAO-KXUCPTDWSA-N 0 3 235.349 0.313 20 0 BCADHN CNC(=O)[C@H]1CCCN1CC1CCC(=O)CC1 ZINC000334403212 135390864 /nfs/dbraw/zinc/39/08/64/135390864.db2.gz GKCFKQJIENRGGE-GFCCVEGCSA-N 0 3 238.331 0.956 20 0 BCADHN CNCCNS(=O)(=O)c1ccccc1C ZINC000078131541 135392832 /nfs/dbraw/zinc/39/28/32/135392832.db2.gz XUNDEIIFRZLMJK-UHFFFAOYSA-N 0 3 228.317 0.493 20 0 BCADHN CN1CCCN(C(=O)C[C@](C)(O)C2CC2)CC1 ZINC000334405772 135393689 /nfs/dbraw/zinc/39/36/89/135393689.db2.gz QFOGROKICDMHBQ-ZDUSSCGKSA-N 0 3 240.347 0.702 20 0 BCADHN COc1ccc2c(c1)CN(C(=O)[C@H](C)N)CC2 ZINC000083888094 135459071 /nfs/dbraw/zinc/45/90/71/135459071.db2.gz LIDPHXWMTHGOBA-VIFPVBQESA-N 0 3 234.299 0.927 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cn[nH]c2)CCN1C ZINC000088055889 135515307 /nfs/dbraw/zinc/51/53/07/135515307.db2.gz PTXZLSIEHRWRBJ-WPRPVWTQSA-N 0 3 222.292 0.622 20 0 BCADHN CCOC[C@H](C)N[C@@H](C)C(=O)N(C)C ZINC000044724393 322843411 /nfs/dbraw/zinc/84/34/11/322843411.db2.gz LYQSGJBDRYZIBH-IUCAKERBSA-N 0 3 202.298 0.478 20 0 BCADHN C[C@@H]1NCCN(C(=O)NCc2ccncc2)[C@H]1C ZINC000334595936 135763316 /nfs/dbraw/zinc/76/33/16/135763316.db2.gz HYIBIFCHBCCXJL-QWRGUYRKSA-N 0 3 248.330 0.973 20 0 BCADHN C[C@H]1NCCN(C(=O)NCc2ccncc2)[C@H]1C ZINC000334595934 135763465 /nfs/dbraw/zinc/76/34/65/135763465.db2.gz HYIBIFCHBCCXJL-MNOVXSKESA-N 0 3 248.330 0.973 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@H](C(C)C)N(C)C ZINC000344503971 135778265 /nfs/dbraw/zinc/77/82/65/135778265.db2.gz FXNIJKHTIOACOG-NSHDSACASA-N 0 3 244.335 0.594 20 0 BCADHN C[C@H](CN(C)C)NS(=O)(=O)N1CC[C@H](C)C1 ZINC000344900719 135805833 /nfs/dbraw/zinc/80/58/33/135805833.db2.gz PAFZXKSZIVUSKT-VHSXEESVSA-N 0 3 249.380 0.113 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1nc2ccccc2[nH]1 ZINC000335040076 135871614 /nfs/dbraw/zinc/87/16/14/135871614.db2.gz BQYGJPYYRGAEGZ-NKWVEPMBSA-N 0 3 216.244 0.849 20 0 BCADHN CS[C@@H]1CN(C(=O)C2CC2)C[C@H]1N(C)C ZINC000335053383 135874297 /nfs/dbraw/zinc/87/42/97/135874297.db2.gz VEJGLUSEIAHYDJ-NXEZZACHSA-N 0 3 228.361 0.900 20 0 BCADHN C[C@H]1CC[C@H](C)N(C(=O)C(=O)N(C)CCN)C1 ZINC000335019669 135878833 /nfs/dbraw/zinc/87/88/33/135878833.db2.gz ROHZHFFGJNEECA-UWVGGRQHSA-N 0 3 241.335 0.051 20 0 BCADHN CCOC(=O)C(C)(C)C(=O)N[C@H](C)CN(C)C ZINC000346262685 135916454 /nfs/dbraw/zinc/91/64/54/135916454.db2.gz MSONNBXYJMMGIC-SECBINFHSA-N 0 3 244.335 0.642 20 0 BCADHN CCc1onc(C)c1NC(=O)[C@@H]1C[C@@H]1N ZINC000335282702 136000639 /nfs/dbraw/zinc/00/06/39/136000639.db2.gz RHMKAAOHMRJXAM-RQJHMYQMSA-N 0 3 209.249 0.831 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1cn2ccccc2n1 ZINC000335284156 136001514 /nfs/dbraw/zinc/00/15/14/136001514.db2.gz FCXWFJKMRHSUBT-VHSXEESVSA-N 0 3 230.271 0.298 20 0 BCADHN Cc1cc(N)cc(CNC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000335286354 136002601 /nfs/dbraw/zinc/00/26/01/136002601.db2.gz QJBNXUFBJFEDAT-MNOVXSKESA-N 0 3 219.288 0.541 20 0 BCADHN CCC(=O)CCCN(C)CC(C)(CO)CO ZINC000347733448 136004668 /nfs/dbraw/zinc/00/46/68/136004668.db2.gz 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HCGVNYFMKLEWFB-UHFFFAOYSA-N 0 3 248.374 0.990 20 0 BCADHN CC(C)[C@@](C)(O)CNC(=O)C1CCN(C)CC1 ZINC000347753517 136011529 /nfs/dbraw/zinc/01/15/29/136011529.db2.gz LPAZUCYTSQLSGG-ZDUSSCGKSA-N 0 3 242.363 0.851 20 0 BCADHN COCCCCC(=O)NC[C@H](C)N(C)C ZINC000347797983 136012707 /nfs/dbraw/zinc/01/27/07/136012707.db2.gz AWGFAQKVKXQMKR-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN CCCC1(C(=O)NCCN(CC)CCO)CC1 ZINC000347799323 136012922 /nfs/dbraw/zinc/01/29/22/136012922.db2.gz GSVYKKBCOUHRLX-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN CC(C)(C)[C@H]1CCN(CCOCCO)C[C@H]1O ZINC000347803799 136013241 /nfs/dbraw/zinc/01/32/41/136013241.db2.gz ZDSPGNLACMBVTL-NWDGAFQWSA-N 0 3 245.363 0.724 20 0 BCADHN CCOC[C@H](O)CN(C)CCNC(=O)C(C)C ZINC000347957930 136017480 /nfs/dbraw/zinc/01/74/80/136017480.db2.gz MWCNSAZPKRAPQL-LLVKDONJSA-N 0 3 246.351 0.088 20 0 BCADHN CNC(=O)c1ccc(C)c(NC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000335304112 136021426 /nfs/dbraw/zinc/02/14/26/136021426.db2.gz VPVLDDSVGWGOMM-ZJUUUORDSA-N 0 3 247.298 0.640 20 0 BCADHN O=C(CN1CCCC12CCC2)N1CCNC1=O ZINC000335310542 136028944 /nfs/dbraw/zinc/02/89/44/136028944.db2.gz JBLZWOABXRTVHT-UHFFFAOYSA-N 0 3 237.303 0.557 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@H](O)C(C)(C)C1 ZINC000335310838 136029277 /nfs/dbraw/zinc/02/92/77/136029277.db2.gz RZQFYSYXWVHULM-MNOVXSKESA-N 0 3 242.363 0.944 20 0 BCADHN CN(C)C(=O)CN1CC[C@@H](O)C12CCCC2 ZINC000335310987 136029840 /nfs/dbraw/zinc/02/98/40/136029840.db2.gz IQOWBSXTCLQMFG-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN CNC(=O)CCN1C[C@H](C)N(C)C[C@H]1C ZINC000335313421 136030914 /nfs/dbraw/zinc/03/09/14/136030914.db2.gz VTPHJMUARBTKIY-VHSXEESVSA-N 0 3 213.325 0.147 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)[nH]n1 ZINC000335319556 136033812 /nfs/dbraw/zinc/03/38/12/136033812.db2.gz GLVNWNJVKLQIDR-VHSXEESVSA-N 0 3 236.319 0.931 20 0 BCADHN COCC[C@H](C)N[C@H]1CS(=O)(=O)C[C@H]1C ZINC000348182434 136043979 /nfs/dbraw/zinc/04/39/79/136043979.db2.gz LGSFNRHSSWVTIT-UTLUCORTSA-N 0 3 235.349 0.434 20 0 BCADHN C[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H]1CCCSC1 ZINC000348209999 136044384 /nfs/dbraw/zinc/04/43/84/136044384.db2.gz LOQXUTHNJXJFAR-BBBLOLIVSA-N 0 3 249.401 0.905 20 0 BCADHN Cc1c([C@@H]2OCC[C@H]2NCCO)cnn1C ZINC000348212749 136045649 /nfs/dbraw/zinc/04/56/49/136045649.db2.gz UTLOHPJADOYZNA-MNOVXSKESA-N 0 3 225.292 0.140 20 0 BCADHN Cc1c([C@H]2OCC[C@@H]2NCCO)cnn1C ZINC000348212752 136045684 /nfs/dbraw/zinc/04/56/84/136045684.db2.gz UTLOHPJADOYZNA-WDEREUQCSA-N 0 3 225.292 0.140 20 0 BCADHN C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cc[nH]c1 ZINC000348214175 136046122 /nfs/dbraw/zinc/04/61/22/136046122.db2.gz XFGRNIRPYUQCIB-SCZZXKLOSA-N 0 3 228.317 0.537 20 0 BCADHN NC(=O)CN[C@H]1CCC[C@@H]1OC(F)F ZINC000348218793 136046663 /nfs/dbraw/zinc/04/66/63/136046663.db2.gz FZBLJYVHFDTONL-WDSKDSINSA-N 0 3 208.208 0.222 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H]1CC[C@@H](CO)O1 ZINC000348220245 136047080 /nfs/dbraw/zinc/04/70/80/136047080.db2.gz MTTAHEOIFUJXBX-QWRGUYRKSA-N 0 3 225.292 0.348 20 0 BCADHN COC(=O)[C@@H]1CCN([C@@H]2CCOC2)C[C@@H]1C ZINC000348219389 136047368 /nfs/dbraw/zinc/04/73/68/136047368.db2.gz MNARPJNUNMIMFQ-HBNTYKKESA-N 0 3 227.304 0.906 20 0 BCADHN CCn1cc(CCN2C[C@@H](O)C[C@H]2C)cn1 ZINC000348199453 136052163 /nfs/dbraw/zinc/05/21/63/136052163.db2.gz CMJFOIUGZLJMSC-PWSUYJOCSA-N 0 3 223.320 0.901 20 0 BCADHN CCn1cc(CCN2C[C@H](O)C[C@H]2C)cn1 ZINC000348199454 136052394 /nfs/dbraw/zinc/05/23/94/136052394.db2.gz CMJFOIUGZLJMSC-ZYHUDNBSSA-N 0 3 223.320 0.901 20 0 BCADHN C[C@H]1CN(C)CCN1C(=O)C1CCN(C)CC1 ZINC000335329714 136053443 /nfs/dbraw/zinc/05/34/43/136053443.db2.gz IBMRCGLMDNHEMC-NSHDSACASA-N 0 3 239.363 0.491 20 0 BCADHN CC[C@H]1CN(CCC(=O)N(C)C)C[C@H](C)O1 ZINC000348248071 136056621 /nfs/dbraw/zinc/05/66/21/136056621.db2.gz VSQRISYPFNPVBD-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@H](O)[C@@H]1CCN(Cc2cncn2C)C1 ZINC000166110046 136062955 /nfs/dbraw/zinc/06/29/55/136062955.db2.gz DHGKFDPDGADBQK-VHSXEESVSA-N 0 3 209.293 0.623 20 0 BCADHN CN(C)C(=O)CCN1CCC[C@H]2COCC[C@H]21 ZINC000335347589 136066925 /nfs/dbraw/zinc/06/69/25/136066925.db2.gz HEGRDDCUHDWSTH-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN NC1(C(=O)N2CC[C@@]3(CCOC3)C2)CCC1 ZINC000335369948 136082968 /nfs/dbraw/zinc/08/29/68/136082968.db2.gz ZWWOIYRFVQUQFD-LLVKDONJSA-N 0 3 224.304 0.507 20 0 BCADHN CC1(C)CN(C(=O)[C@H]2C[C@@]23CCOC3)CCN1 ZINC000335370791 136083248 /nfs/dbraw/zinc/08/32/48/136083248.db2.gz TWPPHXLELKUSBJ-ZWNOBZJWSA-N 0 3 238.331 0.623 20 0 BCADHN NCC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000335374572 136084988 /nfs/dbraw/zinc/08/49/88/136084988.db2.gz IIMMDXGDEOVAMS-VXGBXAGGSA-N 0 3 234.299 0.982 20 0 BCADHN O=C(CN1CC[C@@H]([C@H]2CCOC2)C1)N1CCC1 ZINC000335375016 136085015 /nfs/dbraw/zinc/08/50/15/136085015.db2.gz UETXEMJXVCKXDD-NEPJUHHUSA-N 0 3 238.331 0.577 20 0 BCADHN CN(C[C@H]1CCC[C@@H]1O)C(=O)C(C)(C)N ZINC000335375131 136085303 /nfs/dbraw/zinc/08/53/03/136085303.db2.gz MEAIKDKWQDVCTL-BDAKNGLRSA-N 0 3 214.309 0.343 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000335376009 136085561 /nfs/dbraw/zinc/08/55/61/136085561.db2.gz JDDDSYAORJPVMB-QMMMGPOBSA-N 0 3 214.309 0.798 20 0 BCADHN CNC(=O)CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000335378573 136086303 /nfs/dbraw/zinc/08/63/03/136086303.db2.gz HQFVYKXLJUXOBB-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000335380601 136087350 /nfs/dbraw/zinc/08/73/50/136087350.db2.gz NOOKWAHHEUOMFP-RYUDHWBXSA-N 0 3 240.347 0.999 20 0 BCADHN NCCNC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000335380567 136087415 /nfs/dbraw/zinc/08/74/15/136087415.db2.gz MWONNXATINKBHE-NSHDSACASA-N 0 3 232.283 0.822 20 0 BCADHN NC(C(=O)N[C@H]1CCCOCC1)C(F)(F)F ZINC000335390030 136090377 /nfs/dbraw/zinc/09/03/77/136090377.db2.gz ROUDRWFHYUTLMZ-BQBZGAKWSA-N 0 3 240.225 0.561 20 0 BCADHN O=C(c1cn2c(n1)CCCC2)N1CCCNCC1 ZINC000335390583 136090512 /nfs/dbraw/zinc/09/05/12/136090512.db2.gz QSEXMKLPPAHNJB-UHFFFAOYSA-N 0 3 248.330 0.655 20 0 BCADHN C[C@H](C(=O)N1CCCNCC1)c1ccnn1C ZINC000335391572 136090860 /nfs/dbraw/zinc/09/08/60/136090860.db2.gz ZGALHSKFMWYBQU-JTQLQIEISA-N 0 3 236.319 0.346 20 0 BCADHN O=C1NC(=O)[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]12 ZINC000335391758 136090891 /nfs/dbraw/zinc/09/08/91/136090891.db2.gz YHVMLHWWMGLZHU-PHIMTYICSA-N 0 3 248.257 0.530 20 0 BCADHN CN(C[C@H]1CCSC1)[C@@H]1CCNC1=O ZINC000335401566 136094482 /nfs/dbraw/zinc/09/44/82/136094482.db2.gz GFXMJHFJNRQTNN-RKDXNWHRSA-N 0 3 214.334 0.560 20 0 BCADHN N[C@H](C(=O)N1CC[C@]2(CCOC2)C1)C1CCC1 ZINC000335364516 136095058 /nfs/dbraw/zinc/09/50/58/136095058.db2.gz JVFSBNOIFQHDQM-AAEUAGOBSA-N 0 3 238.331 0.753 20 0 BCADHN C[C@H]1CCCCCN1C(=O)C(=O)N(C)CCN ZINC000335551521 136098140 /nfs/dbraw/zinc/09/81/40/136098140.db2.gz GHLGROBKYVLGNL-JTQLQIEISA-N 0 3 241.335 0.195 20 0 BCADHN C[C@@H]1CCCN(CCS(=O)(=O)N(C)C)[C@H]1C ZINC000335556858 136100052 /nfs/dbraw/zinc/10/00/52/136100052.db2.gz FYWJMYCDTVWXHK-MNOVXSKESA-N 0 3 248.392 0.998 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC000335589990 136103232 /nfs/dbraw/zinc/10/32/32/136103232.db2.gz FHJMPYCCAURMJW-KOLCDFICSA-N 0 3 219.288 0.745 20 0 BCADHN CNCC(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000335591590 136103312 /nfs/dbraw/zinc/10/33/12/136103312.db2.gz KZJCVLJEOBJMGZ-LLVKDONJSA-N 0 3 219.288 0.617 20 0 BCADHN CC1(C)CN(CCN2CCNC2=O)CCS1 ZINC000335568904 136108935 /nfs/dbraw/zinc/10/89/35/136108935.db2.gz CWPJRJUQGHENFI-UHFFFAOYSA-N 0 3 243.376 0.839 20 0 BCADHN CC1(C)CN(C(=O)c2ccc(CN)o2)CCN1 ZINC000335598980 136113804 /nfs/dbraw/zinc/11/38/04/136113804.db2.gz ORJVBTSWAQQFDB-UHFFFAOYSA-N 0 3 237.303 0.562 20 0 BCADHN C[C@H]1CN(C(=O)NCC2CC2)[C@@H](C)CN1 ZINC000335598347 136113814 /nfs/dbraw/zinc/11/38/14/136113814.db2.gz YUPPJTBJUZITOG-IUCAKERBSA-N 0 3 211.309 0.788 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCC1CC1 ZINC000335598346 136114017 /nfs/dbraw/zinc/11/40/17/136114017.db2.gz YUPPJTBJUZITOG-DTWKUNHWSA-N 0 3 211.309 0.788 20 0 BCADHN CCN1CCC(NC(=O)COC(F)F)CC1 ZINC000348655899 136115158 /nfs/dbraw/zinc/11/51/58/136115158.db2.gz RAKDQALXDAQXFP-UHFFFAOYSA-N 0 3 236.262 0.826 20 0 BCADHN C[C@@H](CNC(=O)c1ncncc1Cl)N(C)C ZINC000348658427 136115638 /nfs/dbraw/zinc/11/56/38/136115638.db2.gz HKWPJJFWYDEXSP-ZETCQYMHSA-N 0 3 242.710 0.810 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccc(OC)cc1 ZINC000055421289 322857178 /nfs/dbraw/zinc/85/71/78/322857178.db2.gz GTRJSUKAGYFDBL-VIFPVBQESA-N 0 3 222.288 0.919 20 0 BCADHN COCCN1CCN(C[C@H]2CCOC2)CC1 ZINC000047717733 322860485 /nfs/dbraw/zinc/86/04/85/322860485.db2.gz COIZYXXYLOUEQQ-GFCCVEGCSA-N 0 3 228.336 0.287 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@H]2[C@@H](C(F)(F)F)[C@H]21 ZINC000309538267 397861862 /nfs/dbraw/zinc/86/18/62/397861862.db2.gz FVCQOKQDVSNNRI-UCROKIRRSA-N 0 3 222.210 0.743 20 0 BCADHN CC[C@@H](COC)N[C@H](C)c1ccc(=O)[nH]n1 ZINC000310003552 397874443 /nfs/dbraw/zinc/87/44/43/397874443.db2.gz FQSZEZRXRBFFAC-BDAKNGLRSA-N 0 3 225.292 0.846 20 0 BCADHN Cc1cnn(CCN2CC[C@](C)(O)C2)c1 ZINC000335590207 397822622 /nfs/dbraw/zinc/82/26/22/397822622.db2.gz VPTHUGRGJPAPIR-NSHDSACASA-N 0 3 209.293 0.648 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)N(C)CCN(C)C ZINC000356111435 397928226 /nfs/dbraw/zinc/92/82/26/397928226.db2.gz DGGITNBLOPYJCH-ZJUUUORDSA-N 0 3 213.325 0.845 20 0 BCADHN C[C@@H]1COCC[C@H]1NCc1ncnn1CCF ZINC000440490694 397928575 /nfs/dbraw/zinc/92/85/75/397928575.db2.gz FXOKFTZJWSHZHG-NXEZZACHSA-N 0 3 242.298 0.762 20 0 BCADHN CC(C)(C)OC(=O)NCCN[C@H]1CCOC1 ZINC000088697201 397928567 /nfs/dbraw/zinc/92/85/67/397928567.db2.gz YEUXGUMMOBDVKE-VIFPVBQESA-N 0 3 230.308 0.890 20 0 BCADHN CCc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2)c1 ZINC000020434397 397964967 /nfs/dbraw/zinc/96/49/67/397964967.db2.gz CRDUIRWYSQMYAW-NEPJUHHUSA-N 0 3 234.299 0.910 20 0 BCADHN CC[C@@H](OC)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000356558664 397931027 /nfs/dbraw/zinc/93/10/27/397931027.db2.gz VOTHVLHAQUIOSC-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CO[C@H](CN[C@H](C)C(=O)N(C)C)C1CC1 ZINC000382291593 397931975 /nfs/dbraw/zinc/93/19/75/397931975.db2.gz LCJJTGUSYDLGDA-PSASIEDQSA-N 0 3 214.309 0.478 20 0 BCADHN CO[C@@H](CNC[C@@H](O)C(F)(F)F)C1CC1 ZINC000382311179 397935119 /nfs/dbraw/zinc/93/51/19/397935119.db2.gz QDEDWFLXRJJSCG-JGVFFNPUSA-N 0 3 227.226 0.924 20 0 BCADHN CC1(C)CN(Cc2ccc(N)nc2)C[C@H]1O ZINC000387990537 397940952 /nfs/dbraw/zinc/94/09/52/397940952.db2.gz UYGFOASXJVCOQR-SNVBAGLBSA-N 0 3 221.304 0.697 20 0 BCADHN CC(C)N1CCC[C@@H](N2CC[C@@H](O)[C@H]2C)C1=O ZINC000650188512 397968847 /nfs/dbraw/zinc/96/88/47/397968847.db2.gz KKWQXIZZRQMHIX-IJLUTSLNSA-N 0 3 240.347 0.841 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3ccccn3)[C@@H]2C1 ZINC000644815552 397947518 /nfs/dbraw/zinc/94/75/18/397947518.db2.gz PQZLOTOQJIGITB-CMPLNLGQSA-N 0 3 231.299 0.858 20 0 BCADHN COC[C@@H](O)CN1CCC(c2ncc[nH]2)CC1 ZINC000267441370 397948281 /nfs/dbraw/zinc/94/82/81/397948281.db2.gz CDSVOTPWZVBYPL-NSHDSACASA-N 0 3 239.319 0.596 20 0 BCADHN NC(=O)C1(NC[C@@H]2CCC(=O)N2)CCCCC1 ZINC000649562439 397951620 /nfs/dbraw/zinc/95/16/20/397951620.db2.gz HXOUGRDCPXSHLM-VIFPVBQESA-N 0 3 239.319 0.043 20 0 BCADHN O=C1CC[C@@H](CN2CCC[C@@H](c3ncc[nH]3)C2)N1 ZINC000649561217 397952448 /nfs/dbraw/zinc/95/24/48/397952448.db2.gz OZRFSTKYKYXGOB-MNOVXSKESA-N 0 3 248.330 0.868 20 0 BCADHN O=C(c1cn2ccccc2n1)N1CCCNCC1 ZINC000269145617 397956231 /nfs/dbraw/zinc/95/62/31/397956231.db2.gz YSSPMCSACQSYCZ-UHFFFAOYSA-N 0 3 244.298 0.770 20 0 BCADHN CN(C[C@H]1CCCN1C)[C@@]1(CO)CCOC1 ZINC000649580915 397968063 /nfs/dbraw/zinc/96/80/63/397968063.db2.gz NJLIEQDJKBSZNL-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN COC(=O)CCCN(C)[C@]1(CO)CCOC1 ZINC000359784989 397958714 /nfs/dbraw/zinc/95/87/14/397958714.db2.gz AUCWISQICGZGJN-NSHDSACASA-N 0 3 231.292 0.023 20 0 BCADHN COCC1(N(C)C[C@@H]2CCC(=O)N2)CC1 ZINC000649570996 397960786 /nfs/dbraw/zinc/96/07/86/397960786.db2.gz VZKKMVCTNGLZII-VIFPVBQESA-N 0 3 212.293 0.376 20 0 BCADHN C[C@@H](CNCc1cocn1)CN1CCOCC1 ZINC000192316600 397893691 /nfs/dbraw/zinc/89/36/91/397893691.db2.gz QMDWQGCIZMCEQK-NSHDSACASA-N 0 3 239.319 0.733 20 0 BCADHN COC[C@](C)(O)CNCc1snnc1C ZINC000382580510 397961792 /nfs/dbraw/zinc/96/17/92/397961792.db2.gz XOVRDJWJNKVPFU-SECBINFHSA-N 0 3 231.321 0.334 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000364708012 397908483 /nfs/dbraw/zinc/90/84/83/397908483.db2.gz RFWOVJOFOVNQJS-ZYHUDNBSSA-N 0 3 233.315 0.820 20 0 BCADHN C[C@H]1[C@H](C)N(C[C@@H]2CCC(=O)N2)CCN1C ZINC000649572630 397963611 /nfs/dbraw/zinc/96/36/11/397963611.db2.gz CREREICEMBALPU-DCAQKATOSA-N 0 3 225.336 0.289 20 0 BCADHN CCO[C@H](CC)C(=O)NC[C@](C)(O)CN(C)C ZINC000533570312 397963719 /nfs/dbraw/zinc/96/37/19/397963719.db2.gz PYWXJPZANAOUFM-PWSUYJOCSA-N 0 3 246.351 0.230 20 0 BCADHN C[C@@H]1[C@@H](C)N(C[C@@H]2CCC(=O)N2)CCN1C ZINC000649572631 397963748 /nfs/dbraw/zinc/96/37/48/397963748.db2.gz CREREICEMBALPU-MXWKQRLJSA-N 0 3 225.336 0.289 20 0 BCADHN CN(CCc1cnccn1)C[C@@H]1CCC(=O)N1 ZINC000649572624 397964227 /nfs/dbraw/zinc/96/42/27/397964227.db2.gz CLRJUGIIYWDDSP-NSHDSACASA-N 0 3 234.303 0.230 20 0 BCADHN CC[C@H](O)CNC(=O)C1CCN(C2CC2)CC1 ZINC000355787509 397922462 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CC(C(=O)N1C[C@@H](C)OC[C@H]1C)S(C)(=O)=O ZINC000408170989 397973700 /nfs/dbraw/zinc/97/37/00/397973700.db2.gz ZGCILQGOBRGMOT-HLTSFMKQSA-N 0 3 249.332 0.055 20 0 BCADHN CO[C@@H]1CCN(CC(=O)N(C)C2CC2)C[C@@H]1C ZINC000451552770 397976562 /nfs/dbraw/zinc/97/65/62/397976562.db2.gz XUWFNIRKIPGKNQ-CMPLNLGQSA-N 0 3 240.347 0.964 20 0 BCADHN CN1CCC[C@@H]1CN1CCO[C@]2(CCOC2)C1 ZINC000649586884 397977238 /nfs/dbraw/zinc/97/72/38/397977238.db2.gz SUDRCJGRSMQDBN-CHWSQXEVSA-N 0 3 240.347 0.572 20 0 BCADHN CC[C@]1(O)CCN(C[C@@H]2CCC(=O)N2)C1 ZINC000649589535 397980852 /nfs/dbraw/zinc/98/08/52/397980852.db2.gz WKALFXSHYXQRQM-ONGXEEELSA-N 0 3 212.293 0.112 20 0 BCADHN COCCN(C[C@@H]1CCC(=O)N1)[C@@H]1CCOC1 ZINC000649594586 397982357 /nfs/dbraw/zinc/98/23/57/397982357.db2.gz IUPNVYMLHUSKDR-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN CN1CCC[C@@H]1CN1CC(=O)N(C2CC2)C1 ZINC000649595649 397983273 /nfs/dbraw/zinc/98/32/73/397983273.db2.gz UFJLKBOBDWBBFN-LLVKDONJSA-N 0 3 223.320 0.345 20 0 BCADHN C[C@@H]1SCCN(CCC(=O)NC(N)=O)[C@H]1C ZINC000118418935 397983526 /nfs/dbraw/zinc/98/35/26/397983526.db2.gz RCZGIYRZZGOMRP-YUMQZZPRSA-N 0 3 245.348 0.397 20 0 BCADHN CSCCCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595261804 397985660 /nfs/dbraw/zinc/98/56/60/397985660.db2.gz DSMSACBCTIWMSY-RKDXNWHRSA-N 0 3 249.355 0.820 20 0 BCADHN C[C@H](C[NH3+])N(C)C(=O)c1ccccc1[O-] ZINC000082640665 397985768 /nfs/dbraw/zinc/98/57/68/397985768.db2.gz CVELUCBUCPPPFU-MRVPVSSYSA-N 0 3 208.261 0.811 20 0 BCADHN C[C@H](CO)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272761857 397986278 /nfs/dbraw/zinc/98/62/78/397986278.db2.gz FXXZTZUOHBKWNU-ZJUUUORDSA-N 0 3 241.335 0.317 20 0 BCADHN COCCOC[C@H](O)CN1CC2(C1)CCCC2 ZINC000453001784 397988102 /nfs/dbraw/zinc/98/81/02/397988102.db2.gz DRXMEIBQHJKGHI-GFCCVEGCSA-N 0 3 243.347 0.886 20 0 BCADHN CCOC(=O)CCN(C)C[C@@H](COC)OC ZINC000595308907 397988207 /nfs/dbraw/zinc/98/82/07/397988207.db2.gz OGKJYHUVGCEGJR-JTQLQIEISA-N 0 3 233.308 0.533 20 0 BCADHN CC(C)OC(=O)CCNC(=O)/C=C/CN(C)C ZINC000491684597 398060893 /nfs/dbraw/zinc/06/08/93/398060893.db2.gz GRWCLHCHKKWCSG-AATRIKPKSA-N 0 3 242.319 0.562 20 0 BCADHN COCC[C@H](CO)N[C@@H](C)c1cn(C)nc1C ZINC000281668533 398062063 /nfs/dbraw/zinc/06/20/63/398062063.db2.gz QTBISHBKURZRLL-GXSJLCMTSA-N 0 3 241.335 0.777 20 0 BCADHN CNC(=O)[C@@H](N[C@H](C)COC)C(C)C ZINC000186399441 398065289 /nfs/dbraw/zinc/06/52/89/398065289.db2.gz VHGDFHDNVVGIPI-BDAKNGLRSA-N 0 3 202.298 0.382 20 0 BCADHN CC[C@@H]1CN(CCC(=O)NC)[C@H](C)CO1 ZINC000649731428 398070836 /nfs/dbraw/zinc/07/08/36/398070836.db2.gz HOPNUWVBLZCXFC-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CCn1ncnc1Cn1cc([C@](C)(N)CC)nn1 ZINC000384188711 398072473 /nfs/dbraw/zinc/07/24/73/398072473.db2.gz ULPNRSDIFBWPRW-LLVKDONJSA-N 0 3 249.322 0.522 20 0 BCADHN CCOC[C@H](O)Cn1cc([C@](C)(N)CC)nn1 ZINC000384200387 398074460 /nfs/dbraw/zinc/07/44/60/398074460.db2.gz LJSHMNWILBAWBM-MWLCHTKSSA-N 0 3 242.323 0.259 20 0 BCADHN CCCNC(=O)CCNC(=O)/C=C/CN(C)C ZINC000491852095 398075690 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322880487 /nfs/dbraw/zinc/88/04/87/322880487.db2.gz SEOFTBPXEZSNNO-GFCCVEGCSA-N 0 3 236.315 0.773 20 0 BCADHN CC(C)[C@H](NC(=O)[C@@H](C)N)C(=O)N1CCCC1 ZINC000169070564 487558152 /nfs/dbraw/zinc/55/81/52/487558152.db2.gz OOQMFPLKPYDVGX-ZJUUUORDSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@@H]([NH3+])C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000309452253 487558345 /nfs/dbraw/zinc/55/83/45/487558345.db2.gz MVDJHOXUFXXUHU-ZCFIWIBFSA-N 0 3 249.723 0.361 20 0 BCADHN Cc1nc(C)c(CN2CC[C@H](CC(N)=O)C2)o1 ZINC000685585292 487559122 /nfs/dbraw/zinc/55/91/22/487559122.db2.gz KBZUYZLPUWGANA-SNVBAGLBSA-N 0 3 237.303 0.989 20 0 BCADHN CN(CCn1ccccc1=O)C[C@@H](O)C1CC1 ZINC000674313976 487559253 /nfs/dbraw/zinc/55/92/53/487559253.db2.gz VXKMULAFPBBRCI-GFCCVEGCSA-N 0 3 236.315 0.551 20 0 BCADHN CN(CCn1ccccc1=O)C[C@H](O)C1CC1 ZINC000674313978 487559369 /nfs/dbraw/zinc/55/93/69/487559369.db2.gz VXKMULAFPBBRCI-LBPRGKRZSA-N 0 3 236.315 0.551 20 0 BCADHN CSCC[C@H](N)C(=O)N(C)CC[C@@H](C)O ZINC000157697405 175507014 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MQTNMXFNYVMAEK-SNVBAGLBSA-N 0 3 212.293 0.330 20 0 BCADHN CC(C)OCCN1CCN(CCCCO)CC1 ZINC000304443542 167233545 /nfs/dbraw/zinc/23/35/45/167233545.db2.gz ZJOPDVRUTCWWJM-UHFFFAOYSA-N 0 3 244.379 0.802 20 0 BCADHN CC(C)OCCNC(=O)/C=C/CN(C)C ZINC000273624144 167236314 /nfs/dbraw/zinc/23/63/14/167236314.db2.gz ZXSRXQBMDRUYTN-AATRIKPKSA-N 0 3 214.309 0.645 20 0 BCADHN COC[C@@H](NCC(=O)Nc1ccon1)C(C)C ZINC000680396353 487584745 /nfs/dbraw/zinc/58/47/45/487584745.db2.gz LBIWELNRGXPVPK-SECBINFHSA-N 0 3 241.291 0.874 20 0 BCADHN COC[C@@H]1CCCN1CCN1CCOCC1 ZINC000674469299 487584818 /nfs/dbraw/zinc/58/48/18/487584818.db2.gz HFWJLYRAJFDDRO-LBPRGKRZSA-N 0 3 228.336 0.429 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@H](O)C2(CC2)C1 ZINC000364435148 167261006 /nfs/dbraw/zinc/26/10/06/167261006.db2.gz QJKMCYAEMFCJEA-QWRGUYRKSA-N 0 3 229.320 0.229 20 0 BCADHN CC(C)OC[C@H](C)N[C@@H]1CCS(=O)(=O)C1 ZINC000308824018 167266333 /nfs/dbraw/zinc/26/63/33/167266333.db2.gz DBBUCGOYNCKILJ-VHSXEESVSA-N 0 3 235.349 0.577 20 0 BCADHN CC(C)OC[C@H](O)CN1CCC([C@@H](C)O)CC1 ZINC000225913986 167267145 /nfs/dbraw/zinc/26/71/45/167267145.db2.gz YQSGEJNEQPDBRT-DGCLKSJQSA-N 0 3 245.363 0.865 20 0 BCADHN CC(C)OC[C@H](O)CN1CCC[C@@H](O)C1 ZINC000100481970 167268095 /nfs/dbraw/zinc/26/80/95/167268095.db2.gz CZJWPJSSPUFOQH-GHMZBOCLSA-N 0 3 217.309 0.229 20 0 BCADHN CC(C)OC[C@H](O)CN1CC[C@H](O)C(C)(C)C1 ZINC000336708144 167270291 /nfs/dbraw/zinc/27/02/91/167270291.db2.gz NRFWNWVFJHEOOS-NEPJUHHUSA-N 0 3 245.363 0.865 20 0 BCADHN NC1(C(=O)NCC2(CO)CCCCC2)CC1 ZINC000162587165 487591655 /nfs/dbraw/zinc/59/16/55/487591655.db2.gz ZSGNFTMPRJYALT-UHFFFAOYSA-N 0 3 226.320 0.537 20 0 BCADHN CO[C@@H](CN1CCC[C@@H]1C(N)=O)C1CCC1 ZINC000660737650 487591752 /nfs/dbraw/zinc/59/17/52/487591752.db2.gz HIFBGBXGWXIXTG-MNOVXSKESA-N 0 3 226.320 0.751 20 0 BCADHN C[C@H]1C[C@H](NCC(=O)NC2CC2)CS1 ZINC000086934879 487591857 /nfs/dbraw/zinc/59/18/57/487591857.db2.gz JQXVQNHOVICRCV-CBAPKCEASA-N 0 3 214.334 0.749 20 0 BCADHN CC(C)NC(=O)CN[C@H]1CS[C@H](C)C1 ZINC000086934876 487592101 /nfs/dbraw/zinc/59/21/01/487592101.db2.gz WNSRNDJRIPWLHS-RKDXNWHRSA-N 0 3 216.350 0.995 20 0 BCADHN CC[C@H](C(N)=O)N1CCNC[C@@](C)(F)C1 ZINC000334973363 487594623 /nfs/dbraw/zinc/59/46/23/487594623.db2.gz NUQJRLBQPCMGGF-PSASIEDQSA-N 0 3 217.288 0.934 20 0 BCADHN CN(C[C@H](O)CN1CC(C)(F)C1)C1CC1 ZINC000685911370 487595157 /nfs/dbraw/zinc/59/51/57/487595157.db2.gz ROVHOMYRGKSCSK-JTQLQIEISA-N 0 3 216.300 0.485 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@H]1COC ZINC000674588147 487597168 /nfs/dbraw/zinc/59/71/68/487597168.db2.gz PMNSIFANCKWULQ-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@H](CNC(=O)NCC(F)F)N(C)C ZINC000674614649 487599406 /nfs/dbraw/zinc/59/94/06/487599406.db2.gz DMAQPOHRJRDNRQ-ZCFIWIBFSA-N 0 3 209.240 0.501 20 0 BCADHN C[C@H]1CCN(CCNC(=O)Cc2cc[nH]n2)C1 ZINC000531058669 487600606 /nfs/dbraw/zinc/60/06/06/487600606.db2.gz OMOHZAYDQIVJBS-JTQLQIEISA-N 0 3 236.319 0.410 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2ccn(C)n2)CN1C1CC1 ZINC000674688536 487605940 /nfs/dbraw/zinc/60/59/40/487605940.db2.gz CQSTVCKKKGPLNR-ZJUUUORDSA-N 0 3 248.330 0.775 20 0 BCADHN CN1C(=O)N[C@@H]2CN([C@H]3CCCOC3)CC[C@@H]21 ZINC000671522264 487607583 /nfs/dbraw/zinc/60/75/83/487607583.db2.gz PZSCJUZDFIAQKL-AXFHLTTASA-N 0 3 239.319 0.263 20 0 BCADHN COCCN(C)C[C@H](O)CN1CC(C)(C)C1 ZINC000309762545 487609096 /nfs/dbraw/zinc/60/90/96/487609096.db2.gz FBYXKDJYBFEVGC-NSHDSACASA-N 0 3 230.352 0.267 20 0 BCADHN CC(C)SCCN1C[C@@H](O)[C@@H](O)C1 ZINC000308184111 167328779 /nfs/dbraw/zinc/32/87/79/167328779.db2.gz ITEGJPQYKJRBNT-DTORHVGOSA-N 0 3 205.323 0.165 20 0 BCADHN CN(CCN1CCCC1)C(=O)[C@H]1CCCOC1 ZINC000103116092 487609765 /nfs/dbraw/zinc/60/97/65/487609765.db2.gz BOIYMVOQQDGZAO-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN Cc1cc(CN2CC[C@@H](F)[C@H](N)C2)ncn1 ZINC000662326556 409642329 /nfs/dbraw/zinc/64/23/29/409642329.db2.gz VZCOHZVMZLSGID-GHMZBOCLSA-N 0 3 224.283 0.656 20 0 BCADHN Cn1cc(CCN2CC[C@@H](F)[C@H](N)C2)cn1 ZINC000662324852 409639295 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BCADHN CC(C)(CO)NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000680593958 487619157 /nfs/dbraw/zinc/61/91/57/487619157.db2.gz FAFLXTOJNWYLGA-NSHDSACASA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)COC1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000340291905 167023160 /nfs/dbraw/zinc/02/31/60/167023160.db2.gz YDAFAZKWCRATGE-CHWSQXEVSA-N 0 3 243.347 0.883 20 0 BCADHN CC(C)N1CC[C@H](N2C[C@H]3[C@H](CO)[C@H]3C2)C1=O ZINC000368335432 167025027 /nfs/dbraw/zinc/02/50/27/167025027.db2.gz IEBBUZRWKOBMIT-QCNOEVLYSA-N 0 3 238.331 0.166 20 0 BCADHN CC(C)N1CC[C@H](N2CC[C@@H](C)[C@@H](O)C2)C1=O ZINC000336697073 167025693 /nfs/dbraw/zinc/02/56/93/167025693.db2.gz QZAQKUYFRNRBGF-WOPDTQHZSA-N 0 3 240.347 0.698 20 0 BCADHN CC(C)NC(=O)C1=NO[C@@]2(C1)CCCNC2 ZINC000096091962 167036962 /nfs/dbraw/zinc/03/69/62/167036962.db2.gz BHZBDQIHTWPJES-LLVKDONJSA-N 0 3 225.292 0.410 20 0 BCADHN CC(C)NC(=O)CCN1CCOC[C@H](C)C1 ZINC000378287546 167038995 /nfs/dbraw/zinc/03/89/95/167038995.db2.gz VDDBKLJQLXETGQ-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CCC[C@]1(C)CO ZINC000309686152 167059352 /nfs/dbraw/zinc/05/93/52/167059352.db2.gz OCZMVVJJGRFHKR-ZYHUDNBSSA-N 0 3 228.336 0.652 20 0 BCADHN CC(C)NC(=O)CN[C@H]1CCC(=O)NC1(C)C ZINC000338599558 167061025 /nfs/dbraw/zinc/06/10/25/167061025.db2.gz VUVOPDWFHYGCHX-VIFPVBQESA-N 0 3 241.335 0.158 20 0 BCADHN CCN(CC)CCNS(=O)(=O)c1ccoc1 ZINC000285125530 169779947 /nfs/dbraw/zinc/77/99/47/169779947.db2.gz MYFIRPIADOTXHA-UHFFFAOYSA-N 0 3 246.332 0.900 20 0 BCADHN CC(C)NC(=O)NCC1CCN(CCO)CC1 ZINC000111785946 167070812 /nfs/dbraw/zinc/07/08/12/167070812.db2.gz KSYMJCQOBFMZGP-UHFFFAOYSA-N 0 3 243.351 0.398 20 0 BCADHN CC(C)NC(=O)[C@@H](C)N[C@@H](C)Cn1cccn1 ZINC000042540231 167080461 /nfs/dbraw/zinc/08/04/61/167080461.db2.gz GSJRABYAFUNYMM-WDEREUQCSA-N 0 3 238.335 0.774 20 0 BCADHN CC(C)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000070559057 167140660 /nfs/dbraw/zinc/14/06/60/167140660.db2.gz ZFPPRUBPTMWXOM-JTQLQIEISA-N 0 3 222.292 0.523 20 0 BCADHN CC(C)OC(=O)[C@@H](C)CNC(=O)C(C)(C)N ZINC000119390373 167165025 /nfs/dbraw/zinc/16/50/25/167165025.db2.gz ZUKZTOPGNXSACD-QMMMGPOBSA-N 0 3 230.308 0.428 20 0 BCADHN CC(C)OCCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368181186 167200313 /nfs/dbraw/zinc/20/03/13/167200313.db2.gz UOHKKQIDGQMBJV-UWVGGRQHSA-N 0 3 232.299 0.618 20 0 BCADHN CC(C)OCCCN(C)[C@H]1CCN(C)C1=O ZINC000336661891 167212005 /nfs/dbraw/zinc/21/20/05/167212005.db2.gz CHUAOYYKNKKXAF-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)OCCN(CCO)CCCO ZINC000109799006 167227685 /nfs/dbraw/zinc/22/76/85/167227685.db2.gz QLNFVQXIZYEFIE-UHFFFAOYSA-N 0 3 205.298 0.088 20 0 BCADHN CC(C)OCCN1CC[C@@H](NC(N)=O)C1 ZINC000330507900 167234606 /nfs/dbraw/zinc/23/46/06/167234606.db2.gz BKPPGENTUKGZPC-SECBINFHSA-N 0 3 215.297 0.568 20 0 BCADHN CC(C)OCCN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000309380108 167243465 /nfs/dbraw/zinc/24/34/65/167243465.db2.gz DEQQDVFUQSGTDD-VIFPVBQESA-N 0 3 225.292 0.846 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NC[C@]1(C)CCOC1 ZINC000397276600 410917944 /nfs/dbraw/zinc/91/79/44/410917944.db2.gz QCVXONALBXRLLP-SKDRFNHKSA-N 0 3 226.320 0.670 20 0 BCADHN CC(C)OC[C@@H](C)N[C@@H](CO)[C@@H]1CCCO1 ZINC000336747064 167256659 /nfs/dbraw/zinc/25/66/59/167256659.db2.gz RTKCSYTVRBALIA-WOPDTQHZSA-N 0 3 231.336 0.929 20 0 BCADHN CC(C)OC[C@@H](C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000336731364 167257133 /nfs/dbraw/zinc/25/71/33/167257133.db2.gz FGVICGOLFVGHPO-GHMZBOCLSA-N 0 3 249.376 0.967 20 0 BCADHN CC(C)OC[C@@H](O)CN1CC[C@H](O)C(C)(C)C1 ZINC000336708147 167260852 /nfs/dbraw/zinc/26/08/52/167260852.db2.gz NRFWNWVFJHEOOS-RYUDHWBXSA-N 0 3 245.363 0.865 20 0 BCADHN CC(C)OC[C@H](C)N[C@@H](C)CS(C)(=O)=O ZINC000336766492 167264945 /nfs/dbraw/zinc/26/49/45/167264945.db2.gz SAHGIGPLFUFDHZ-UWVGGRQHSA-N 0 3 237.365 0.823 20 0 BCADHN CC(C)OC[C@H](O)CN1CC([C@@H]2CCOC2)C1 ZINC000366491909 167268500 /nfs/dbraw/zinc/26/85/00/167268500.db2.gz LNYRXWMYMMKVBQ-DGCLKSJQSA-N 0 3 243.347 0.741 20 0 BCADHN CC(C)OC[C@H](O)CN[C@@H](C)c1cn[nH]c1 ZINC000274109486 167270497 /nfs/dbraw/zinc/27/04/97/167270497.db2.gz TZAJURDFACUCBK-GXSJLCMTSA-N 0 3 227.308 0.846 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC2(C1)CCOC2)N(C)C ZINC000336373613 167341548 /nfs/dbraw/zinc/34/15/48/167341548.db2.gz LZHVMFWIELHSAX-NSHDSACASA-N 0 3 240.347 0.822 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@@H](C)CO)N(C)C ZINC000120885010 167342906 /nfs/dbraw/zinc/34/29/06/167342906.db2.gz JDXIBCCWSDYLRA-ZJUUUORDSA-N 0 3 216.325 0.317 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)C[C@@H](C)O)N(C)C ZINC000360916178 167342925 /nfs/dbraw/zinc/34/29/25/167342925.db2.gz NUUTYJGJOHZAII-ZJUUUORDSA-N 0 3 216.325 0.412 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H](C)c1nnc[n-]1)[NH+](C)C ZINC000155498176 167345520 /nfs/dbraw/zinc/34/55/20/167345520.db2.gz RVUVOTVKROJGDU-BDAKNGLRSA-N 0 3 239.323 0.568 20 0 BCADHN CC(C)[C@@H](C)N(C)CC(=O)N1CCNC1=O ZINC000341805362 167365553 /nfs/dbraw/zinc/36/55/53/167365553.db2.gz CQPGNQNZKGRTBQ-SECBINFHSA-N 0 3 227.308 0.515 20 0 BCADHN CC(C)[C@@H](C)N(C)CC(=O)N1CCN(C)CC1 ZINC000357309935 167366393 /nfs/dbraw/zinc/36/63/93/167366393.db2.gz QLEDJJZLEDCIDA-GFCCVEGCSA-N 0 3 241.379 0.737 20 0 BCADHN CC(C)[C@@H](C)NC(=O)C1(N)CCOCC1 ZINC000149645102 167371436 /nfs/dbraw/zinc/37/14/36/167371436.db2.gz GUPOHJXMCNAHBX-SECBINFHSA-N 0 3 214.309 0.655 20 0 BCADHN CC(C)[C@@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000307363167 167378248 /nfs/dbraw/zinc/37/82/48/167378248.db2.gz HIEJEIXOLUFUEQ-PSASIEDQSA-N 0 3 202.273 0.849 20 0 BCADHN CC(C)[C@@H](C)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188207273 167378850 /nfs/dbraw/zinc/37/88/50/167378850.db2.gz OBOZAFBRAQPWOD-HRDYMLBCSA-N 0 3 202.273 0.847 20 0 BCADHN CC(C)[C@@H](CCO)NCc1nccn1C ZINC000164858700 167393528 /nfs/dbraw/zinc/39/35/28/167393528.db2.gz ZNIRFJQUVRQIQR-SNVBAGLBSA-N 0 3 211.309 0.917 20 0 BCADHN CC(C)[C@@H](CCO)NCc1cnn(C)c1 ZINC000164855028 167394066 /nfs/dbraw/zinc/39/40/66/167394066.db2.gz MFVGRGKAJUBDQQ-LLVKDONJSA-N 0 3 211.309 0.917 20 0 BCADHN COC[C@@H](CC(C)(C)C)NC(=O)CN ZINC000655496110 410929550 /nfs/dbraw/zinc/92/95/50/410929550.db2.gz CXBJSGQDCVCYNW-MRVPVSSYSA-N 0 3 202.298 0.513 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)Cc1ccccn1 ZINC000655497324 410954917 /nfs/dbraw/zinc/95/49/17/410954917.db2.gz RJMQCDDWZHXBKY-IUCAKERBSA-N 0 3 207.277 0.476 20 0 BCADHN CC(C)[C@@H](O)C(=O)NC1(CN(C)C)CCC1 ZINC000355668271 167440046 /nfs/dbraw/zinc/44/00/46/167440046.db2.gz RCGVZKYOAGBFNH-SNVBAGLBSA-N 0 3 228.336 0.604 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc(-c2ccc(C)o2)n[nH]1 ZINC000580570071 410963461 /nfs/dbraw/zinc/96/34/61/410963461.db2.gz NZGPZVGYQXKZJV-QMMMGPOBSA-N 0 3 248.286 1.525 20 0 BCADHN CC[C@@H](O)CCCNC(=O)COC1(C)CNC1 ZINC000398449208 410965369 /nfs/dbraw/zinc/96/53/69/410965369.db2.gz AVLMGHPKWLKLJI-SNVBAGLBSA-N 0 3 244.335 0.032 20 0 BCADHN CN(C)c1ncc(CN[C@@H](CO)CCF)cn1 ZINC000652017235 410982851 /nfs/dbraw/zinc/98/28/51/410982851.db2.gz QZGCWPWLSSDXSE-SNVBAGLBSA-N 0 3 242.298 0.353 20 0 BCADHN CN(C)c1ncc(CN[C@H](CO)CCF)cn1 ZINC000652017234 410982931 /nfs/dbraw/zinc/98/29/31/410982931.db2.gz QZGCWPWLSSDXSE-JTQLQIEISA-N 0 3 242.298 0.353 20 0 BCADHN CCn1cc(CN[C@@H](CO)CCF)cn1 ZINC000652017298 410982990 /nfs/dbraw/zinc/98/29/90/410982990.db2.gz SCVUFQFVZUJYCS-SNVBAGLBSA-N 0 3 215.272 0.713 20 0 BCADHN CC(C)CO[C@H](C)C(=O)NCCN(C)C ZINC000042378109 410997165 /nfs/dbraw/zinc/99/71/65/410997165.db2.gz MUJHQUMBXKHDRP-SNVBAGLBSA-N 0 3 216.325 0.725 20 0 BCADHN CN(CCn1cccn1)C[C@H]1COCCO1 ZINC000661602520 411014489 /nfs/dbraw/zinc/01/44/89/411014489.db2.gz CICLMSOLKUSREL-NSHDSACASA-N 0 3 225.292 0.230 20 0 BCADHN CN1CCC[C@@H](NC(=O)[C@H](N)C2CCC2)C1 ZINC000398989299 411006483 /nfs/dbraw/zinc/00/64/83/411006483.db2.gz JHAQOOQHIFGQFE-GHMZBOCLSA-N 0 3 225.336 0.324 20 0 BCADHN CN1CCC[C@H](NC(=O)[C@@H](N)C2CCC2)C1 ZINC000398989301 411007228 /nfs/dbraw/zinc/00/72/28/411007228.db2.gz JHAQOOQHIFGQFE-QWRGUYRKSA-N 0 3 225.336 0.324 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@@H](N)C1CCC1 ZINC000399013761 411010417 /nfs/dbraw/zinc/01/04/17/411010417.db2.gz ZYAYGOJMGIPWEJ-JTQLQIEISA-N 0 3 222.292 0.462 20 0 BCADHN C[C@@H](O)CCCN(C)C[C@H]1COCCO1 ZINC000661612019 411054206 /nfs/dbraw/zinc/05/42/06/411054206.db2.gz OBDWNSSCDBIJKI-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN OCC1(O)CCN(CC[C@@H]2CCCCO2)CC1 ZINC000661619296 411062165 /nfs/dbraw/zinc/06/21/65/411062165.db2.gz LJEGPJGBPSZSBZ-LBPRGKRZSA-N 0 3 243.347 0.765 20 0 BCADHN CC1(C)C[C@@H](N2CCC(O)(CO)CC2)CO1 ZINC000661620327 411071548 /nfs/dbraw/zinc/07/15/48/411071548.db2.gz IYLJCYZZAMZULY-SNVBAGLBSA-N 0 3 229.320 0.373 20 0 BCADHN O[C@@H]1CCCC[C@@H]1CN1CCOC[C@@H](O)C1 ZINC000399994968 411072864 /nfs/dbraw/zinc/07/28/64/411072864.db2.gz VZPLBYSHZYEKEL-GRYCIOLGSA-N 0 3 229.320 0.231 20 0 BCADHN O=C1CC[C@H]2CN(Cc3cn[nH]c3)CC[C@H]2N1 ZINC000661603389 411019128 /nfs/dbraw/zinc/01/91/28/411019128.db2.gz VOXRHWQMOAOGBE-WDEREUQCSA-N 0 3 234.303 0.510 20 0 BCADHN CCN1CCN(CCNC(=O)[C@H]2C[C@H]2C)CC1 ZINC000042590324 411021266 /nfs/dbraw/zinc/02/12/66/411021266.db2.gz MRZMAOOEQOCGEB-NEPJUHHUSA-N 0 3 239.363 0.396 20 0 BCADHN COC[C@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000399171816 411022281 /nfs/dbraw/zinc/02/22/81/411022281.db2.gz GNOFFSUHPROHQW-CBAPKCEASA-N 0 3 200.282 0.265 20 0 BCADHN CN(CCOCC1CC1)C[C@@]1(O)CCCOC1 ZINC000659998985 411162969 /nfs/dbraw/zinc/16/29/69/411162969.db2.gz VLEQXCQCJVHOCB-ZDUSSCGKSA-N 0 3 243.347 0.886 20 0 BCADHN CCO[C@@H](C)C(=O)N[C@H](CN)C(F)(F)F ZINC000655509215 411132800 /nfs/dbraw/zinc/13/28/00/411132800.db2.gz GIBILOIORGEDFV-NTSWFWBYSA-N 0 3 228.214 0.417 20 0 BCADHN CCO[C@@H](CC)C(=O)N[C@H](CN)C(F)(F)F ZINC000655509626 411139454 /nfs/dbraw/zinc/13/94/54/411139454.db2.gz HSPGUWKQHLMEIE-NKWVEPMBSA-N 0 3 242.241 0.807 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cccc2c1CCOC2 ZINC000638988994 411163608 /nfs/dbraw/zinc/16/36/08/411163608.db2.gz DVEJJCUNHRMAQD-JTQLQIEISA-N 0 3 248.326 0.983 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000119035104 411150073 /nfs/dbraw/zinc/15/00/73/411150073.db2.gz XRYRJVGHIPOFEX-VWYCJHECSA-N 0 3 236.319 0.830 20 0 BCADHN COc1cccc(CN[C@H]2C[C@@H](C(N)=O)C2)n1 ZINC000651939083 411154197 /nfs/dbraw/zinc/15/41/97/411154197.db2.gz SHJXRJARDJBHHM-WAAGHKOSSA-N 0 3 235.287 0.444 20 0 BCADHN CCn1nccc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651939412 411154836 /nfs/dbraw/zinc/15/48/36/411154836.db2.gz FAPKJLPYHBUOSZ-DTORHVGOSA-N 0 3 222.292 0.257 20 0 BCADHN COCC1(CNC(=O)N2CCCNCC2)CC1 ZINC000655972797 411164914 /nfs/dbraw/zinc/16/49/14/411164914.db2.gz MARPUXVUQNDUSM-UHFFFAOYSA-N 0 3 241.335 0.418 20 0 BCADHN Cc1ncc(CNCC[C@@]2(O)CCOC2)cn1 ZINC000651942334 411156546 /nfs/dbraw/zinc/15/65/46/411156546.db2.gz DECBROFQBBGMNT-GFCCVEGCSA-N 0 3 237.303 0.416 20 0 BCADHN CN(CC1CC1)C(=O)N[C@H](CN)C(F)(F)F ZINC000655910745 411156716 /nfs/dbraw/zinc/15/67/16/411156716.db2.gz BKZBRTXNJJFPPF-SSDOTTSWSA-N 0 3 239.241 0.927 20 0 BCADHN C[C@@H](N)C(=O)N1CC(C)(C)OCC1(C)C ZINC000309513883 411157856 /nfs/dbraw/zinc/15/78/56/411157856.db2.gz YBGWJOKTNNITOQ-MRVPVSSYSA-N 0 3 214.309 0.750 20 0 BCADHN C[C@@H]1CCN(C(=O)N[C@@H](CN)C(F)(F)F)C1 ZINC000655916405 411158095 /nfs/dbraw/zinc/15/80/95/411158095.db2.gz XJNQQTDKVQXBQN-RQJHMYQMSA-N 0 3 239.241 0.927 20 0 BCADHN CC1(C)C[C@@H]1NC(=O)N[C@H](CN)C(F)(F)F ZINC000655915669 411158243 /nfs/dbraw/zinc/15/82/43/411158243.db2.gz XFJLBPWWLMTMDR-NTSWFWBYSA-N 0 3 239.241 0.974 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCc1cc[nH]n1 ZINC000309518245 411158356 /nfs/dbraw/zinc/15/83/56/411158356.db2.gz SKRVQTBWGVOPGZ-QMMMGPOBSA-N 0 3 208.265 0.024 20 0 BCADHN Cc1nccc(NCC2(N(C)C)CC2)n1 ZINC000397874550 411164742 /nfs/dbraw/zinc/16/47/42/411164742.db2.gz LEKZTVVCCLZUSH-UHFFFAOYSA-N 0 3 206.293 1.291 20 0 BCADHN CN(C)CCNC(=O)Cc1ccsc1 ZINC000047653197 411160757 /nfs/dbraw/zinc/16/07/57/411160757.db2.gz PMKPAFKMWWFZDO-UHFFFAOYSA-N 0 3 212.318 0.968 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCC1(CO)CCC1 ZINC000652037944 411088612 /nfs/dbraw/zinc/08/86/12/411088612.db2.gz DADUNRJUIYKWDE-SNVBAGLBSA-N 0 3 249.376 0.562 20 0 BCADHN Cc1nc(CCN[C@@H]2CCCn3ccnc32)n[nH]1 ZINC000655751314 411161507 /nfs/dbraw/zinc/16/15/07/411161507.db2.gz LGBWRUVECZLQJK-SNVBAGLBSA-N 0 3 246.318 0.977 20 0 BCADHN Cc1n[nH]c(CCN[C@@H]2CCCn3ccnc32)n1 ZINC000655751314 411161510 /nfs/dbraw/zinc/16/15/10/411161510.db2.gz LGBWRUVECZLQJK-SNVBAGLBSA-N 0 3 246.318 0.977 20 0 BCADHN Cc1ncc(C(=O)NCCN2CCCC2)c(N)n1 ZINC000665531820 411110832 /nfs/dbraw/zinc/11/08/32/411110832.db2.gz PFFHSPLKIHQUMO-UHFFFAOYSA-N 0 3 249.318 0.193 20 0 BCADHN COc1ccc2c(c1)CN(C(=O)[C@H](C)N)C2 ZINC000655502191 411111969 /nfs/dbraw/zinc/11/19/69/411111969.db2.gz CTLODAXQDPFDHE-QMMMGPOBSA-N 0 3 220.272 0.885 20 0 BCADHN NC[C@H](NC(=O)c1cccc(N)c1)C(F)(F)F ZINC000655504662 411115089 /nfs/dbraw/zinc/11/50/89/411115089.db2.gz HBUJBNKDIVLJNK-QMMMGPOBSA-N 0 3 247.220 0.888 20 0 BCADHN C[C@@H](CNC(=O)c1cnc2[nH]cnc2c1)N(C)C ZINC000665551077 411116715 /nfs/dbraw/zinc/11/67/15/411116715.db2.gz KZRSMYWZPDWCPK-QMMMGPOBSA-N 0 3 247.302 0.638 20 0 BCADHN Cn1nccc1NC(=O)[C@@H]1NCC1(C)C ZINC000309548578 411170012 /nfs/dbraw/zinc/17/00/12/411170012.db2.gz CTLYPNIRDOFWGO-QMMMGPOBSA-N 0 3 208.265 0.357 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652777143 411172134 /nfs/dbraw/zinc/17/21/34/411172134.db2.gz OATQQHAUOQAYFU-IEBDPFPHSA-N 0 3 235.287 0.697 20 0 BCADHN NC1(C(=O)N2CCC(CCO)CC2)CCCC1 ZINC000401031366 411173631 /nfs/dbraw/zinc/17/36/31/411173631.db2.gz PWPZKJAATLUAOA-UHFFFAOYSA-N 0 3 240.347 0.879 20 0 BCADHN CC1(CNC(=O)CN2CCNCC2)CCCC1 ZINC000111622146 411175637 /nfs/dbraw/zinc/17/56/37/411175637.db2.gz BROBQQALZSHVQK-UHFFFAOYSA-N 0 3 239.363 0.588 20 0 BCADHN CCN(CCO)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000659879845 411177713 /nfs/dbraw/zinc/17/77/13/411177713.db2.gz YOCSUBYUAHXAKL-GRYCIOLGSA-N 0 3 240.347 0.748 20 0 BCADHN OC[C@@H]1CCCN1CCO[C@H]1CC1(F)F ZINC000659880683 411179957 /nfs/dbraw/zinc/17/99/57/411179957.db2.gz RKKMALZXGJPNBB-IUCAKERBSA-N 0 3 221.247 0.867 20 0 BCADHN COc1c(C)ncnc1N1CC(N(C)C)C1 ZINC000656151481 411186875 /nfs/dbraw/zinc/18/68/75/411186875.db2.gz YMXKDHHSURPGTB-UHFFFAOYSA-N 0 3 222.292 0.544 20 0 BCADHN CC(C)CCN1CCN(c2nncn2C)CC1 ZINC000653817870 411192390 /nfs/dbraw/zinc/19/23/90/411192390.db2.gz QBTZVOXANCIBOB-UHFFFAOYSA-N 0 3 237.351 0.983 20 0 BCADHN C[C@@H](N[C@@H](CO)CCF)c1cn[nH]c1 ZINC000652302399 411192692 /nfs/dbraw/zinc/19/26/92/411192692.db2.gz XHEDWMBAXDRXNT-VXNVDRBHSA-N 0 3 201.245 0.781 20 0 BCADHN C[C@H](N[C@@H](CO)CCF)c1ccnn1C ZINC000652301832 411193401 /nfs/dbraw/zinc/19/34/01/411193401.db2.gz IOKIMZPBIWYLFP-DTWKUNHWSA-N 0 3 215.272 0.791 20 0 BCADHN C[C@@H](N[C@@H](CO)CCF)c1ccnn1C ZINC000652301834 411193532 /nfs/dbraw/zinc/19/35/32/411193532.db2.gz IOKIMZPBIWYLFP-RKDXNWHRSA-N 0 3 215.272 0.791 20 0 BCADHN C[C@H](NC[C@@H]1CCC(=O)N1)c1cnn(C)c1 ZINC000070627928 411193637 /nfs/dbraw/zinc/19/36/37/411193637.db2.gz YAJUJBAIIVSCIK-WPRPVWTQSA-N 0 3 222.292 0.349 20 0 BCADHN CC[C@H](COC)NC(=O)[C@@H]1NCC1(C)C ZINC000310033006 411194168 /nfs/dbraw/zinc/19/41/68/411194168.db2.gz RSNRVQZMWKPFHE-BDAKNGLRSA-N 0 3 214.309 0.526 20 0 BCADHN CCC[C@@H](O)CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000653833873 411196438 /nfs/dbraw/zinc/19/64/38/411196438.db2.gz CJEUGOMPSMLUDH-QJPTWQEYSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)N(C)C ZINC000653833912 411196493 /nfs/dbraw/zinc/19/64/93/411196493.db2.gz RXBIOPUIJKVPPN-GARJFASQSA-N 0 3 225.336 0.099 20 0 BCADHN CCN1OC[C@H](N2C[C@@H]3COC[C@@]3(C)C2)C1=O ZINC000661700860 411197109 /nfs/dbraw/zinc/19/71/09/411197109.db2.gz HWMRXEKPZKNMJP-JFGNBEQYSA-N 0 3 240.303 0.117 20 0 BCADHN C[C@@H](CNC(=O)N1CC(C2CC2)C1)N(C)C ZINC000656196958 411201773 /nfs/dbraw/zinc/20/17/73/411201773.db2.gz GWBMPVXTOBSLEC-VIFPVBQESA-N 0 3 225.336 0.988 20 0 BCADHN CC[C@]1(NC(=O)NC[C@H](C)N(C)C)CCOC1 ZINC000656196986 411202310 /nfs/dbraw/zinc/20/23/10/411202310.db2.gz STVNXNAODAMALI-JQWIXIFHSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)N(C)C ZINC000246220605 411203609 /nfs/dbraw/zinc/20/36/09/411203609.db2.gz PYDCZGRRDUOXRX-VHSXEESVSA-N 0 3 249.380 0.065 20 0 BCADHN CCC(CC)CNC(=O)CN1CCNCC1 ZINC000130360182 411208994 /nfs/dbraw/zinc/20/89/94/411208994.db2.gz QBPGSEDKFOIRAF-UHFFFAOYSA-N 0 3 227.352 0.444 20 0 BCADHN CC[C@H](N[C@@H]1COC2(CCC2)C1)C(=O)NC ZINC000658032690 411210599 /nfs/dbraw/zinc/21/05/99/411210599.db2.gz SXTPQFPIQMHWQG-UWVGGRQHSA-N 0 3 226.320 0.812 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@@H](C)Cn1cncn1 ZINC000658037658 411213107 /nfs/dbraw/zinc/21/31/07/411213107.db2.gz YJWDAWXNZRPIDK-UWVGGRQHSA-N 0 3 239.323 0.169 20 0 BCADHN NC1(C(=O)NCc2noc3ccccc23)CC1 ZINC000656231236 411215764 /nfs/dbraw/zinc/21/57/64/411215764.db2.gz CEXYEJUOKBKKFO-UHFFFAOYSA-N 0 3 231.255 0.935 20 0 BCADHN C[C@H](O)CN(CCc1ccnn1C)C1CC1 ZINC000653901807 411216064 /nfs/dbraw/zinc/21/60/64/411216064.db2.gz FAVAODSCFHKXJZ-JTQLQIEISA-N 0 3 223.320 0.808 20 0 BCADHN O=C1CCCN1CCN[C@H]1CCCn2nccc21 ZINC000658046790 411217616 /nfs/dbraw/zinc/21/76/16/411217616.db2.gz NJSQSNNUWXCDOW-NSHDSACASA-N 0 3 248.330 0.930 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC000571906159 411218326 /nfs/dbraw/zinc/21/83/26/411218326.db2.gz WLSXERBADNCDLI-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H]1CC[C@H](NC2(C(N)=O)CC2)CS1 ZINC000656255300 411218412 /nfs/dbraw/zinc/21/84/12/411218412.db2.gz JHLBVOODHRYZFT-YUMQZZPRSA-N 0 3 214.334 0.878 20 0 BCADHN C[C@H]1CC[C@@H](NC2(C(N)=O)CC2)CS1 ZINC000656255298 411218504 /nfs/dbraw/zinc/21/85/04/411218504.db2.gz JHLBVOODHRYZFT-JGVFFNPUSA-N 0 3 214.334 0.878 20 0 BCADHN CCN(CCCO)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000313817479 411221163 /nfs/dbraw/zinc/22/11/63/411221163.db2.gz AOXZMTGSRGFBBD-CHWSQXEVSA-N 0 3 244.379 0.800 20 0 BCADHN O=C1NCC[C@@H]1NC1CC(CF)(CF)C1 ZINC000658054807 411221463 /nfs/dbraw/zinc/22/14/63/411221463.db2.gz IVBFTEJWPAOHKB-QMMMGPOBSA-N 0 3 218.247 0.552 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)Cc1cn[nH]c1 ZINC000069763543 411224395 /nfs/dbraw/zinc/22/43/95/411224395.db2.gz GTMJCWUDYVEZKT-LLVKDONJSA-N 0 3 224.308 0.886 20 0 BCADHN CO[C@@](C)(CO)CN[C@@H](C)c1c[nH]nc1C ZINC000655784903 411225009 /nfs/dbraw/zinc/22/50/09/411225009.db2.gz HLLPTMNGZQQABA-GZMMTYOYSA-N 0 3 227.308 0.766 20 0 BCADHN C[C@H]1CCC[C@H]1NC(=O)CN1CCNCC1 ZINC000070834418 411227316 /nfs/dbraw/zinc/22/73/16/411227316.db2.gz NHODRZLHIUTQFY-WDEREUQCSA-N 0 3 225.336 0.196 20 0 BCADHN C[C@@H]1CCC[C@H]1NC(=O)CN1CCNCC1 ZINC000070834416 411227321 /nfs/dbraw/zinc/22/73/21/411227321.db2.gz NHODRZLHIUTQFY-GHMZBOCLSA-N 0 3 225.336 0.196 20 0 BCADHN CN1CCC[C@H]1CNc1cc(C#N)cnn1 ZINC000396946956 411240431 /nfs/dbraw/zinc/24/04/31/411240431.db2.gz YCOPVZCKXQYHCI-JTQLQIEISA-N 0 3 217.276 0.854 20 0 BCADHN CCN1CC[C@H](N(C)CC2(O)CCCC2)C1=O ZINC000660123786 411241857 /nfs/dbraw/zinc/24/18/57/411241857.db2.gz OJGLGLGYSXLXTB-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN Cc1ccncc1CN(C)C[C@H]1CNC(=O)C1 ZINC000660451505 411165977 /nfs/dbraw/zinc/16/59/77/411165977.db2.gz XIRWUNQMIZYCCN-LLVKDONJSA-N 0 3 233.315 0.958 20 0 BCADHN Cc1cc(CC(=O)NC(C)(C)CN(C)C)on1 ZINC000652428550 411242210 /nfs/dbraw/zinc/24/22/10/411242210.db2.gz SGEOCSQGKYDJPD-UHFFFAOYSA-N 0 3 239.319 0.982 20 0 BCADHN CC(C)C(=O)NCCn1cc(C(C)(C)N)nn1 ZINC000656442823 411261879 /nfs/dbraw/zinc/26/18/79/411261879.db2.gz ZCEZPIKLJNQMLZ-UHFFFAOYSA-N 0 3 239.323 0.244 20 0 BCADHN CCC(=O)N1CC[C@@H](NC(=O)[C@H](N)C(C)C)C1 ZINC000119470666 411263262 /nfs/dbraw/zinc/26/32/62/411263262.db2.gz JUWUYFRRNMBHOB-MWLCHTKSSA-N 0 3 241.335 0.097 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2ccc(N)nc2)C1 ZINC000050708067 411264491 /nfs/dbraw/zinc/26/44/91/411264491.db2.gz KHEBIOBEDQGQKY-SNVBAGLBSA-N 0 3 248.330 0.735 20 0 BCADHN CN(C)CCc1cn(-c2ccnn2C)nn1 ZINC000656456903 411265200 /nfs/dbraw/zinc/26/52/00/411265200.db2.gz NMUOBYLTCMKJSY-UHFFFAOYSA-N 0 3 220.280 0.105 20 0 BCADHN CC[C@@](C)(N)c1cn(-c2ccnn2C)nn1 ZINC000656457095 411265241 /nfs/dbraw/zinc/26/52/41/411265241.db2.gz OXCMLRRHIOXFFU-SNVBAGLBSA-N 0 3 220.280 0.585 20 0 BCADHN CC[C@H](N)c1cn(-c2ccnc(CO)c2)nn1 ZINC000656459413 411269236 /nfs/dbraw/zinc/26/92/36/411269236.db2.gz SZIJHAVXDREZSM-JTQLQIEISA-N 0 3 233.275 0.564 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cn(C)cn1 ZINC000660166925 411274943 /nfs/dbraw/zinc/27/49/43/411274943.db2.gz WTVGYCAUNYKZEX-WDEREUQCSA-N 0 3 222.336 0.945 20 0 BCADHN NC1(C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000649319155 411279059 /nfs/dbraw/zinc/27/90/59/411279059.db2.gz LBLSBQKMHPFLSV-UHFFFAOYSA-N 0 3 243.270 0.697 20 0 BCADHN Cc1ccc2ncc(CNC(CO)CO)cc2c1 ZINC000653734897 411279420 /nfs/dbraw/zinc/27/94/20/411279420.db2.gz SYTYIPQNVJRYBA-UHFFFAOYSA-N 0 3 246.310 0.986 20 0 BCADHN CN(CCN=c1nc[nH]n1C)C1CCCCC1 ZINC000653462911 411280250 /nfs/dbraw/zinc/28/02/50/411280250.db2.gz RKCIDMOUWKWXEF-UHFFFAOYSA-N 0 3 237.351 0.913 20 0 BCADHN CN1C(=O)C[C@H](N2CCC[C@H](CCF)C2)C1=O ZINC000656477977 411283597 /nfs/dbraw/zinc/28/35/97/411283597.db2.gz PIBNXUGKVONXHG-ZJUUUORDSA-N 0 3 242.294 0.815 20 0 BCADHN CCN1CC[C@@H](N[C@H](C)[C@@H](C)OC)C1=O ZINC000656488277 411284595 /nfs/dbraw/zinc/28/45/95/411284595.db2.gz NPAYZVRIOFLRIT-OPRDCNLKSA-N 0 3 214.309 0.620 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@@H]2CCCCN2)n1 ZINC000430279410 411285222 /nfs/dbraw/zinc/28/52/22/411285222.db2.gz SJJXBOVZMQVBNB-APPZFPTMSA-N 0 3 238.291 0.697 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@H]2CCCCN2)n1 ZINC000430279413 411285417 /nfs/dbraw/zinc/28/54/17/411285417.db2.gz SJJXBOVZMQVBNB-VXNVDRBHSA-N 0 3 238.291 0.697 20 0 BCADHN OCCN(CCO[C@H]1CC1(F)F)C1CC1 ZINC000659841046 411329312 /nfs/dbraw/zinc/32/93/12/411329312.db2.gz KUCHUSNYSDVTPO-VIFPVBQESA-N 0 3 221.247 0.867 20 0 BCADHN CCN(C(=O)N[C@H](C)COC)[C@H]1CCN(C)C1 ZINC000656540083 411294143 /nfs/dbraw/zinc/29/41/43/411294143.db2.gz CTCBKICNCNMRTP-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000658216699 411296782 /nfs/dbraw/zinc/29/67/82/411296782.db2.gz AJPWBIMKNZNLLU-MXWKQRLJSA-N 0 3 249.376 0.967 20 0 BCADHN CCOCCNC(=O)CN[C@H]1CCC1(C)C ZINC000653743539 411299879 /nfs/dbraw/zinc/29/98/79/411299879.db2.gz NYQMEVYLRLNVBM-JTQLQIEISA-N 0 3 228.336 0.917 20 0 BCADHN O=C1C[C@H](CN2CCC[C@H](OC(F)F)C2)CN1 ZINC000660236424 411302170 /nfs/dbraw/zinc/30/21/70/411302170.db2.gz OSCIPRPZLHKHRA-IUCAKERBSA-N 0 3 248.273 0.826 20 0 BCADHN NCc1noc(C[C@@H]2NCc3ccccc32)n1 ZINC000656562125 411302506 /nfs/dbraw/zinc/30/25/06/411302506.db2.gz HAYHHQICKLVGNP-JTQLQIEISA-N 0 3 230.271 0.915 20 0 BCADHN CCN1CCN(C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000659826672 411308425 /nfs/dbraw/zinc/30/84/25/411308425.db2.gz KAEKPMDILVMPQO-OLZOCXBDSA-N 0 3 242.363 0.675 20 0 BCADHN CCN1CCN(C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000659826671 411309054 /nfs/dbraw/zinc/30/90/54/411309054.db2.gz KAEKPMDILVMPQO-CHWSQXEVSA-N 0 3 242.363 0.675 20 0 BCADHN C[C@H](Cc1ncc[nH]1)OC[C@H]1CNCCO1 ZINC000656611425 411309831 /nfs/dbraw/zinc/30/98/31/411309831.db2.gz HPRMOQSROYEEFI-NXEZZACHSA-N 0 3 225.292 0.346 20 0 BCADHN CCc1csc(=O)n1C[C@H]1CNCCO1 ZINC000656612428 411309893 /nfs/dbraw/zinc/30/98/93/411309893.db2.gz YMMMDPUNEPDHGM-SECBINFHSA-N 0 3 228.317 0.461 20 0 BCADHN CC(C)N1CCN(Cc2nc[nH]n2)CC1 ZINC000659827926 411310212 /nfs/dbraw/zinc/31/02/12/411310212.db2.gz ZFDPQQMUHSRRNZ-UHFFFAOYSA-N 0 3 209.297 0.331 20 0 BCADHN CC(C)N1CCN(Cc2nnc[nH]2)CC1 ZINC000659827926 411310216 /nfs/dbraw/zinc/31/02/16/411310216.db2.gz ZFDPQQMUHSRRNZ-UHFFFAOYSA-N 0 3 209.297 0.331 20 0 BCADHN CCN1CCN(C[C@H](COC)OC)CC1 ZINC000659827160 411310265 /nfs/dbraw/zinc/31/02/65/411310265.db2.gz NHRPTWCRTOMIOF-LLVKDONJSA-N 0 3 216.325 0.285 20 0 BCADHN Cn1cnc(CN2CCCN(C)CC2)c1 ZINC000659828184 411310558 /nfs/dbraw/zinc/31/05/58/411310558.db2.gz FNMHTJRHWXPDSR-UHFFFAOYSA-N 0 3 208.309 0.558 20 0 BCADHN C[C@@H](Cc1ncc[nH]1)OC[C@H]1CNCCO1 ZINC000656611427 411310676 /nfs/dbraw/zinc/31/06/76/411310676.db2.gz HPRMOQSROYEEFI-VHSXEESVSA-N 0 3 225.292 0.346 20 0 BCADHN COC[C@@H](CN1CCC[C@H](O)C1)OC ZINC000659828878 411311537 /nfs/dbraw/zinc/31/15/37/411311537.db2.gz JDQATVVTOGNNPY-VHSXEESVSA-N 0 3 203.282 0.105 20 0 BCADHN CC[C@@H](O)CNCc1cc(=O)n2ccccc2n1 ZINC000124711304 411313268 /nfs/dbraw/zinc/31/32/68/411313268.db2.gz NTRPCDYIAHADOF-LLVKDONJSA-N 0 3 247.298 0.555 20 0 BCADHN C[C@@H]1C[C@H](N(C)CC(=O)N(C)C)CCO1 ZINC000659830002 411313408 /nfs/dbraw/zinc/31/34/08/411313408.db2.gz BIYSURHYATWZOU-NXEZZACHSA-N 0 3 214.309 0.574 20 0 BCADHN Cn1cc2c(n1)CCC[C@@H]2NC[C@@H]1CCC(=O)N1 ZINC000658258200 411317936 /nfs/dbraw/zinc/31/79/36/411317936.db2.gz YQMGLQHRBKXZCB-ONGXEEELSA-N 0 3 248.330 0.666 20 0 BCADHN CC[C@@](C)(CNCC(=O)N1CCOCC1)OC ZINC000322981064 411319056 /nfs/dbraw/zinc/31/90/56/411319056.db2.gz ZEXTYEYKKCUPSF-LBPRGKRZSA-N 0 3 244.335 0.250 20 0 BCADHN CCN(C(=O)[C@H](C)N)[C@@H]1CCCOC1 ZINC000402851247 411319084 /nfs/dbraw/zinc/31/90/84/411319084.db2.gz SREJKBCTRAOPGS-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000658410333 411319660 /nfs/dbraw/zinc/31/96/60/411319660.db2.gz IUTQKQRXELFMPP-ZETCQYMHSA-N 0 3 218.278 0.166 20 0 BCADHN C[C@@H]1CCN(CCc2cn[nH]n2)C[C@H](C)O1 ZINC000661853430 411320479 /nfs/dbraw/zinc/32/04/79/411320479.db2.gz SHEMSQIKXDYMIC-ZJUUUORDSA-N 0 3 224.308 0.847 20 0 BCADHN CN(C)C(=O)CN1CCCCC[C@@H]1CO ZINC000124790164 411321030 /nfs/dbraw/zinc/32/10/30/411321030.db2.gz YNBFVGBHQAZQIP-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN Cc1cncc(CCN(C)C[C@@H](C)O)n1 ZINC000402925388 411322220 /nfs/dbraw/zinc/32/22/20/411322220.db2.gz SYYYYNSKVUVHKR-SNVBAGLBSA-N 0 3 209.293 0.640 20 0 BCADHN CC[C@@H](COC)NCC1(S(=O)(=O)CC)CC1 ZINC000658298272 411325942 /nfs/dbraw/zinc/32/59/42/411325942.db2.gz FMXCMLWUFHCKJQ-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN CC(C)=CCCN1CC[C@H](S(N)(=O)=O)C1 ZINC000660128980 411249640 /nfs/dbraw/zinc/24/96/40/411249640.db2.gz QZKUVYDOOCVVFU-JTQLQIEISA-N 0 3 232.349 0.706 20 0 BCADHN C[C@@H]1C[C@H](N(C)[C@@H]2CCNC2=O)CCO1 ZINC000660132314 411250963 /nfs/dbraw/zinc/25/09/63/411250963.db2.gz BCJXLWKSYKIWTE-OPRDCNLKSA-N 0 3 212.293 0.374 20 0 BCADHN CCS(=O)(=O)C1(CN[C@H]2CCCOC2)CC1 ZINC000658299107 411326534 /nfs/dbraw/zinc/32/65/34/411326534.db2.gz MVORBFDSKXQZGQ-JTQLQIEISA-N 0 3 247.360 0.722 20 0 BCADHN c1n[nH]nc1CCN1CCc2n[nH]cc2C1 ZINC000660135859 411253835 /nfs/dbraw/zinc/25/38/35/411253835.db2.gz FCERSPCUTAPDGO-UHFFFAOYSA-N 0 3 218.264 0.129 20 0 BCADHN O=C1NCCC[C@@H]1N[C@@H]1COC2(CCC2)C1 ZINC000656684138 411326552 /nfs/dbraw/zinc/32/65/52/411326552.db2.gz URFFDBOOWYUNAF-UWVGGRQHSA-N 0 3 224.304 0.566 20 0 BCADHN CCOC[C@@H](C)NCC1(S(=O)(=O)CC)CC1 ZINC000658298410 411326685 /nfs/dbraw/zinc/32/66/85/411326685.db2.gz GDSULJUKXGXFDH-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN Cn1ncc2c1CCC[C@H]2NC/C=C\CO ZINC000658133458 411258391 /nfs/dbraw/zinc/25/83/91/411258391.db2.gz MDQFVIWKDNLJMD-OTDNITJGSA-N 0 3 221.304 0.936 20 0 BCADHN N[C@H](CC(=O)NCC1(CO)CC1)c1ccccc1 ZINC000125125548 411350114 /nfs/dbraw/zinc/35/01/14/411350114.db2.gz UBWCVHQXQFNQRX-GFCCVEGCSA-N 0 3 248.326 0.965 20 0 BCADHN c1ncn(CCN2CC[C@H]3COC[C@@H]3C2)n1 ZINC000662035599 411350573 /nfs/dbraw/zinc/35/05/73/411350573.db2.gz PWTFAZLDBVXMKU-QWRGUYRKSA-N 0 3 222.292 0.246 20 0 BCADHN c1cc(CN2CC[C@H]3COC[C@@H]3C2)n[nH]1 ZINC000662034577 411350602 /nfs/dbraw/zinc/35/06/02/411350602.db2.gz OFSBIUMVFNPLPL-UWVGGRQHSA-N 0 3 207.277 0.878 20 0 BCADHN CC(C)NCC(=O)NCCO[C@@H]1CC1(F)F ZINC000659344601 411372717 /nfs/dbraw/zinc/37/27/17/411372717.db2.gz AAKNKYRBRAVFCE-MRVPVSSYSA-N 0 3 236.262 0.525 20 0 BCADHN Cc1nc(CN2CC[C@H]3COC[C@@H]3C2)n[nH]1 ZINC000662038194 411352410 /nfs/dbraw/zinc/35/24/10/411352410.db2.gz VRBHTPHHMABMMC-UWVGGRQHSA-N 0 3 222.292 0.581 20 0 BCADHN CC(C)(C)NC(=O)CN1CC[C@H]2COC[C@H]2C1 ZINC000662038571 411352893 /nfs/dbraw/zinc/35/28/93/411352893.db2.gz MTNRTNKWDBTHQC-WDEREUQCSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662040255 411353187 /nfs/dbraw/zinc/35/31/87/411353187.db2.gz WHJPGVOUVOZTGX-KXUCPTDWSA-N 0 3 212.293 0.219 20 0 BCADHN C[C@@H](CO)[C@H](C)NCC(=O)Nc1cnccn1 ZINC000660269795 411354803 /nfs/dbraw/zinc/35/48/03/411354803.db2.gz ORJRUADVAUGUFX-IUCAKERBSA-N 0 3 238.291 0.022 20 0 BCADHN COC1CC(CCNC(=O)CNC2CC2)C1 ZINC000659327759 411356016 /nfs/dbraw/zinc/35/60/16/411356016.db2.gz ACUYBHBYKBPDEO-UHFFFAOYSA-N 0 3 226.320 0.670 20 0 BCADHN COC1CC(CCNC(=O)[C@H]2NCC2(C)C)C1 ZINC000659328683 411357567 /nfs/dbraw/zinc/35/75/67/411357567.db2.gz IQLVPMYCNUHYDM-VQXHTEKXSA-N 0 3 240.347 0.916 20 0 BCADHN CCN1CC[C@@H](N2CCC[C@@H](N(C)C)C2)C1=O ZINC000659874642 411358679 /nfs/dbraw/zinc/35/86/79/411358679.db2.gz SLKBNJJEFIIQEJ-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN CC[C@H]1CN(C(=O)C2(N)CC2)[C@H](C)CO1 ZINC000403771141 411359439 /nfs/dbraw/zinc/35/94/39/411359439.db2.gz RINFOJGLBKHXDR-BDAKNGLRSA-N 0 3 212.293 0.504 20 0 BCADHN CN[C@@H](C)C(=O)NCCC1CC(OC)C1 ZINC000659330304 411361318 /nfs/dbraw/zinc/36/13/18/411361318.db2.gz WKEPOCVTWJJJKV-IDKOKCKLSA-N 0 3 214.309 0.526 20 0 BCADHN COC1CC(CCNC(=O)[C@H](C)N)C1 ZINC000659330575 411361342 /nfs/dbraw/zinc/36/13/42/411361342.db2.gz XWITUKUKMJWDDZ-UEJVZZJDSA-N 0 3 200.282 0.265 20 0 BCADHN COCCN(C)CCNc1ncncc1C ZINC000641335921 411362986 /nfs/dbraw/zinc/36/29/86/411362986.db2.gz YELBSLUXKHCAEC-UHFFFAOYSA-N 0 3 224.308 0.775 20 0 BCADHN C[C@H]1CCC[C@@H](CNC(=O)C(C)(C)N)O1 ZINC000658954774 411363411 /nfs/dbraw/zinc/36/34/11/411363411.db2.gz ZGBYIINQOAAVBQ-IUCAKERBSA-N 0 3 214.309 0.798 20 0 BCADHN CNCC(=O)NCc1cnc(C(F)(F)F)nc1 ZINC000659336768 411365109 /nfs/dbraw/zinc/36/51/09/411365109.db2.gz ONFJIKZORPTMII-UHFFFAOYSA-N 0 3 248.208 0.331 20 0 BCADHN COC[C@@H](CCNC(=O)CNC(C)C)OC ZINC000659338233 411365657 /nfs/dbraw/zinc/36/56/57/411365657.db2.gz VUVOSTPTPLHKQI-SNVBAGLBSA-N 0 3 232.324 0.152 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@@H](C)CCO)N(C)C ZINC000652959486 411366633 /nfs/dbraw/zinc/36/66/33/411366633.db2.gz FKFNHNHRCOQQSO-UWVGGRQHSA-N 0 3 216.325 0.556 20 0 BCADHN NCc1cccc(NC(=O)N[C@H]2CCNC2=O)c1 ZINC000659018166 411367749 /nfs/dbraw/zinc/36/77/49/411367749.db2.gz LYZMRTCRUVAIHR-JTQLQIEISA-N 0 3 248.286 0.155 20 0 BCADHN CC[C@@H]1COC(C)(C)CN1C[C@@H](O)COC ZINC000403947357 411368150 /nfs/dbraw/zinc/36/81/50/411368150.db2.gz KRBMJUBDTOMFOX-GHMZBOCLSA-N 0 3 231.336 0.883 20 0 BCADHN CC[C@@H]1CN(CC2(CO)COC2)[C@@H](CC)CO1 ZINC000403952649 411369404 /nfs/dbraw/zinc/36/94/04/411369404.db2.gz PTBRNMWTHAXUBS-NWDGAFQWSA-N 0 3 243.347 0.885 20 0 BCADHN Cc1cncnc1NCC1(N(C)C)CC1 ZINC000641638807 411371374 /nfs/dbraw/zinc/37/13/74/411371374.db2.gz UDMIKADOZQBPET-UHFFFAOYSA-N 0 3 206.293 1.291 20 0 BCADHN O=C1NCC[C@@H]1CCN1CCC[C@@H]2COC[C@@H]21 ZINC000653760229 411333853 /nfs/dbraw/zinc/33/38/53/411333853.db2.gz MCCFUUKIMVVSPU-UTUOFQBUSA-N 0 3 238.331 0.623 20 0 BCADHN CC[C@H](C(=O)N[C@H](CO)CCF)N(CC)CC ZINC000652915082 411334037 /nfs/dbraw/zinc/33/40/37/411334037.db2.gz DOLWTVROKSIENT-WDEREUQCSA-N 0 3 248.342 0.944 20 0 BCADHN CC[C@@H](C(=O)N[C@H](CO)CCF)N(CC)CC ZINC000652915081 411334104 /nfs/dbraw/zinc/33/41/04/411334104.db2.gz DOLWTVROKSIENT-QWRGUYRKSA-N 0 3 248.342 0.944 20 0 BCADHN CCN(CC)CC(=O)N[C@H](CO)CCF ZINC000652915947 411335272 /nfs/dbraw/zinc/33/52/72/411335272.db2.gz VTWWJJWARNHUGV-VIFPVBQESA-N 0 3 220.288 0.165 20 0 BCADHN COCc1csc(CNC[C@@H](O)COC)c1 ZINC000656709611 411336092 /nfs/dbraw/zinc/33/60/92/411336092.db2.gz QIZXPSWFBSFHOR-SNVBAGLBSA-N 0 3 245.344 0.991 20 0 BCADHN CN1CCCN(C(=O)NCC(F)F)CC1 ZINC000656711629 411337527 /nfs/dbraw/zinc/33/75/27/411337527.db2.gz NEVBIAHEDWRGSS-UHFFFAOYSA-N 0 3 221.251 0.599 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](CO)CCF ZINC000652918071 411338697 /nfs/dbraw/zinc/33/86/97/411338697.db2.gz KVQRGHGLHBVUAI-SECBINFHSA-N 0 3 220.288 0.163 20 0 BCADHN COC[C@@H](CN1CCN(CC2CC2)CC1)OC ZINC000659845929 411339555 /nfs/dbraw/zinc/33/95/55/411339555.db2.gz CLRAKURGSZJPPS-CYBMUJFWSA-N 0 3 242.363 0.675 20 0 BCADHN COC[C@H](CN1CCN(CC2CC2)CC1)OC ZINC000659845931 411339779 /nfs/dbraw/zinc/33/97/79/411339779.db2.gz CLRAKURGSZJPPS-ZDUSSCGKSA-N 0 3 242.363 0.675 20 0 BCADHN COC[C@H](CCNC[C@@H](O)C(F)(F)F)OC ZINC000656703704 411340157 /nfs/dbraw/zinc/34/01/57/411340157.db2.gz CWEYFWMZOVVSFR-JGVFFNPUSA-N 0 3 245.241 0.551 20 0 BCADHN Cc1csc(CCNC(=O)CNC2CC2)n1 ZINC000063135049 411342954 /nfs/dbraw/zinc/34/29/54/411342954.db2.gz JTPGDECPQDHHNC-UHFFFAOYSA-N 0 3 239.344 0.862 20 0 BCADHN O=C(CN1CCNCC1)NCc1ccsc1 ZINC000063147664 411343945 /nfs/dbraw/zinc/34/39/45/411343945.db2.gz FNHUXGXZTHHNBF-UHFFFAOYSA-N 0 3 239.344 0.270 20 0 BCADHN CC1(C)[C@H](N[C@@H]2CCNC2=O)[C@@H]2CCO[C@H]21 ZINC000309403597 168006613 /nfs/dbraw/zinc/00/66/13/168006613.db2.gz HSGCHCGCKUPLOL-SGIHWFKDSA-N 0 3 224.304 0.278 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1N[C@H]1CCCS(=O)(=O)C1 ZINC000245934224 168008585 /nfs/dbraw/zinc/00/85/85/168008585.db2.gz IRZINYQGZULXRN-IVZWLZJFSA-N 0 3 247.360 0.313 20 0 BCADHN CC1(C)[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 ZINC000334839138 168012673 /nfs/dbraw/zinc/01/26/73/168012673.db2.gz OBUFONDMDNQUKP-AOOOYVTPSA-N 0 3 208.305 0.807 20 0 BCADHN CC1(C)[C@H](N[C@@H]2CCNC2=O)[C@@H]2CCO[C@@H]21 ZINC000309403593 168014324 /nfs/dbraw/zinc/01/43/24/168014324.db2.gz HSGCHCGCKUPLOL-JLIMGVALSA-N 0 3 224.304 0.278 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2ccc(C)nc2)C1 ZINC000653768630 411346206 /nfs/dbraw/zinc/34/62/06/411346206.db2.gz ZGDFOLHMWZVIOE-GFCCVEGCSA-N 0 3 233.315 0.958 20 0 BCADHN CC(C)(C)N(CC(N)=O)CC1(C)COC1 ZINC000353657272 168021800 /nfs/dbraw/zinc/02/18/00/168021800.db2.gz NNJJVPRAOOBZRW-UHFFFAOYSA-N 0 3 214.309 0.609 20 0 BCADHN CC1(CN2CCO[C@@]3(CCCOC3)C2)COC1 ZINC000352375935 168025379 /nfs/dbraw/zinc/02/53/79/168025379.db2.gz HNRHVSOTJWJFAL-ZDUSSCGKSA-N 0 3 241.331 0.904 20 0 BCADHN CC1(CN2CCO[C@@]3(CCOC3)C2)COC1 ZINC000346163033 168025995 /nfs/dbraw/zinc/02/59/95/168025995.db2.gz QDJGKHFXAPHPTP-LBPRGKRZSA-N 0 3 227.304 0.514 20 0 BCADHN CC1(CNC(=O)N2CCCNCC2)CC1 ZINC000335620830 168031004 /nfs/dbraw/zinc/03/10/04/168031004.db2.gz FYRAPBUQXINCOY-UHFFFAOYSA-N 0 3 211.309 0.791 20 0 BCADHN CC1(CNCc2c[nH]c3nccnc23)OCCO1 ZINC000290853715 168042108 /nfs/dbraw/zinc/04/21/08/168042108.db2.gz JWPNAPDAMHCUDB-UHFFFAOYSA-N 0 3 248.286 0.811 20 0 BCADHN Cn1cc2c(n1)CCC[C@H]2N[C@H]1C[C@H](O)C1 ZINC000658347308 411348024 /nfs/dbraw/zinc/34/80/24/411348024.db2.gz AYTXGEBEHAVOHB-FXPVBKGRSA-N 0 3 221.304 0.910 20 0 BCADHN CC1(CO)CCN(CCN2CCOCC2)CC1 ZINC000358026524 168049920 /nfs/dbraw/zinc/04/99/20/168049920.db2.gz AIKXZXMHBRHIPE-UHFFFAOYSA-N 0 3 242.363 0.413 20 0 BCADHN CC1(O)CC(C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000336242693 168065894 /nfs/dbraw/zinc/06/58/94/168065894.db2.gz QDPGLHBDDIPUJL-QWKFWESOSA-N 0 3 238.331 0.454 20 0 BCADHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000658411419 411378532 /nfs/dbraw/zinc/37/85/32/411378532.db2.gz ORSDWMMFFDIMOY-LURJTMIESA-N 0 3 249.361 0.338 20 0 BCADHN CC1=CCCN(CCCN2C(=O)CNC2=O)C1 ZINC000336700521 168097456 /nfs/dbraw/zinc/09/74/56/168097456.db2.gz ARVYUKHUVRQXJY-UHFFFAOYSA-N 0 3 237.303 0.580 20 0 BCADHN CC1=CCCN(C[C@@H](O)CN2CCOCC2)C1 ZINC000336700788 168099826 /nfs/dbraw/zinc/09/98/26/168099826.db2.gz CTEXORBEDFACGG-ZDUSSCGKSA-N 0 3 240.347 0.332 20 0 BCADHN CC1=CCCN(C[C@H](O)CN2CCOCC2)C1 ZINC000336700750 168099831 /nfs/dbraw/zinc/09/98/31/168099831.db2.gz CTEXORBEDFACGG-CYBMUJFWSA-N 0 3 240.347 0.332 20 0 BCADHN CC1=CCN(CCNC(=O)CC(C)(C)O)CC1 ZINC000331027509 168110886 /nfs/dbraw/zinc/11/08/86/168110886.db2.gz XFHYWQMLIVLNRO-UHFFFAOYSA-N 0 3 240.347 0.916 20 0 BCADHN CC1=CCN(C[C@H](O)Cn2cccn2)CC1 ZINC000270388640 168116106 /nfs/dbraw/zinc/11/61/06/168116106.db2.gz XQFNQLFIVHCZES-LBPRGKRZSA-N 0 3 221.304 0.896 20 0 BCADHN CC[C@@](C)(CO)C(=O)NCCN(C)C ZINC000654371884 411380625 /nfs/dbraw/zinc/38/06/25/411380625.db2.gz YAXUNILGVUHJGX-JTQLQIEISA-N 0 3 202.298 0.073 20 0 BCADHN CC(C)(N)c1cn([C@@H]2CCCC[C@H]2O)nn1 ZINC000069680204 411380826 /nfs/dbraw/zinc/38/08/26/411380826.db2.gz SRBGHCBNPGPSEA-RKDXNWHRSA-N 0 3 224.308 0.948 20 0 BCADHN CC[C@@H]1CN(CCc2c[nH]nn2)C[C@@H](C)O1 ZINC000659917627 411381376 /nfs/dbraw/zinc/38/13/76/411381376.db2.gz HPILCHWGEZDLKK-MWLCHTKSSA-N 0 3 224.308 0.847 20 0 BCADHN C[C@@H](NCC(=O)N1CCC(C)CC1)[C@H](C)CO ZINC000358791569 168172614 /nfs/dbraw/zinc/17/26/14/168172614.db2.gz OERAKMPHCDNZGS-VXGBXAGGSA-N 0 3 242.363 0.851 20 0 BCADHN CC1CCN(CC(=O)NCc2cnc[nH]2)CC1 ZINC000331047420 168177436 /nfs/dbraw/zinc/17/74/36/168177436.db2.gz GOLGNQXQELZAFX-UHFFFAOYSA-N 0 3 236.319 0.758 20 0 BCADHN CC1CCN(CC(=O)N(C)C2CC(O)C2)CC1 ZINC000336396055 168177714 /nfs/dbraw/zinc/17/77/14/168177714.db2.gz JLZNUIUVMSCMSC-UHFFFAOYSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](CNC(=O)NCCO)N1CCC(C)CC1 ZINC000303222849 168185800 /nfs/dbraw/zinc/18/58/00/168185800.db2.gz LCGFFAACLUUGMA-NSHDSACASA-N 0 3 243.351 0.398 20 0 BCADHN CCC(=O)CCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000372845665 168205308 /nfs/dbraw/zinc/20/53/08/168205308.db2.gz GREHTGUKCIKLNH-ZMLRMANQSA-N 0 3 238.331 0.941 20 0 BCADHN C[C@H]1CCN(C(=O)CN2CCNCC2)C[C@H]1C ZINC000129784198 411390507 /nfs/dbraw/zinc/39/05/07/411390507.db2.gz FWTLEIMHGIYLEG-NWDGAFQWSA-N 0 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CC[C@H](CO)NCc1cnc2n1CCC2 ZINC000657287864 411447223 /nfs/dbraw/zinc/44/72/23/411447223.db2.gz YZEXIUCPEGNYTN-SECBINFHSA-N 0 3 209.293 0.690 20 0 BCADHN Cn1ncc(C2CC2)c1CNCCOCCO ZINC000657293275 411449266 /nfs/dbraw/zinc/44/92/66/411449266.db2.gz VXJBTTBISMMEKY-UHFFFAOYSA-N 0 3 239.319 0.396 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCSCC1 ZINC000306498067 411449351 /nfs/dbraw/zinc/44/93/51/411449351.db2.gz SRQFIQSJWQCTHM-QMMMGPOBSA-N 0 3 214.334 0.560 20 0 BCADHN CCOCC[C@@H](O)CN1CCC[C@@H]2COC[C@@H]21 ZINC000657293608 411450144 /nfs/dbraw/zinc/45/01/44/411450144.db2.gz HUNSHLDHXADGAP-UPJWGTAASA-N 0 3 243.347 0.885 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000637962084 411451429 /nfs/dbraw/zinc/45/14/29/411451429.db2.gz IHYMCWQKJAYKIP-UTLUCORTSA-N 0 3 241.335 0.145 20 0 BCADHN CC[C@H]1C[C@H](NCCNC(=O)C(C)C)CO1 ZINC000657290195 411452023 /nfs/dbraw/zinc/45/20/23/411452023.db2.gz ZNAOODXIWMURHO-QWRGUYRKSA-N 0 3 228.336 0.916 20 0 BCADHN COCCOCCNCc1cnc2n1CCC2 ZINC000657328739 411467230 /nfs/dbraw/zinc/46/72/30/411467230.db2.gz DOEWJZYJFKGKJN-UHFFFAOYSA-N 0 3 239.319 0.582 20 0 BCADHN CN(CC(=O)N1CCOCC1)CC1CC=CC1 ZINC000659831383 411467975 /nfs/dbraw/zinc/46/79/75/411467975.db2.gz QFMRZOWDVRTGAK-UHFFFAOYSA-N 0 3 238.331 0.743 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H]2CC(=O)N(C)C2)CO1 ZINC000657341518 411468325 /nfs/dbraw/zinc/46/83/25/411468325.db2.gz CUKWLKWFXIFFLX-KXUCPTDWSA-N 0 3 212.293 0.374 20 0 BCADHN CNC(=O)CCNCc1cnc2n1CCC2 ZINC000657330979 411468563 /nfs/dbraw/zinc/46/85/63/411468563.db2.gz JFSAEBHYHSNSLY-UHFFFAOYSA-N 0 3 222.292 0.055 20 0 BCADHN Cc1ncc(CN[C@H](C)C(C)(C)O)n1C ZINC000657342946 411469216 /nfs/dbraw/zinc/46/92/16/411469216.db2.gz UESJHPXEWVHNNK-MRVPVSSYSA-N 0 3 211.309 0.978 20 0 BCADHN CC[C@@H]1CO[C@@H](C)CN1CCc1c[nH]nn1 ZINC000659840488 411472194 /nfs/dbraw/zinc/47/21/94/411472194.db2.gz HOXAHGIUBUWMLF-GXSJLCMTSA-N 0 3 224.308 0.847 20 0 BCADHN CC(C)OCCNC(=O)CN1CC[C@H](C)C1 ZINC000654998107 411472341 /nfs/dbraw/zinc/47/23/41/411472341.db2.gz BQFCCYOWISOBLA-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H]1CO[C@@H](C)CN1CCc1c[nH]nn1 ZINC000659840491 411472587 /nfs/dbraw/zinc/47/25/87/411472587.db2.gz HOXAHGIUBUWMLF-ONGXEEELSA-N 0 3 224.308 0.847 20 0 BCADHN COCC(=O)N1CCN(CC2CC=CC2)CC1 ZINC000659843166 411473839 /nfs/dbraw/zinc/47/38/39/411473839.db2.gz METUNTOGOIGBNS-UHFFFAOYSA-N 0 3 238.331 0.743 20 0 BCADHN O=C1C[C@@H](CN2CCSCC2)CN1 ZINC000659843436 411473974 /nfs/dbraw/zinc/47/39/74/411473974.db2.gz VAKZJCMRRSALFZ-MRVPVSSYSA-N 0 3 200.307 0.171 20 0 BCADHN O=C(N=c1cc[nH][nH]1)[C@@H]1CC[C@H](C2CC2)N1 ZINC000407247664 411476068 /nfs/dbraw/zinc/47/60/68/411476068.db2.gz FKFJXYDVZCTALU-BDAKNGLRSA-N 0 3 220.276 0.301 20 0 BCADHN CCOC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC000655009760 411476119 /nfs/dbraw/zinc/47/61/19/411476119.db2.gz WVPXBKSWBPNUCS-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H](C)CS(=O)(=O)CC)CO1 ZINC000657360250 411477330 /nfs/dbraw/zinc/47/73/30/411477330.db2.gz AGFRSXDKKURSJA-GARJFASQSA-N 0 3 249.376 0.967 20 0 BCADHN OC1(CNCc2cnc3n2CCC3)CCC1 ZINC000657357047 411477769 /nfs/dbraw/zinc/47/77/69/411477769.db2.gz VJBMPIWKNYPCMS-UHFFFAOYSA-N 0 3 221.304 0.834 20 0 BCADHN CC(C)(O)CNCc1cnc2n1CCC2 ZINC000657356330 411477941 /nfs/dbraw/zinc/47/79/41/411477941.db2.gz KPTJNYCMKZRMCA-UHFFFAOYSA-N 0 3 209.293 0.690 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)[C@H]2CO)C1 ZINC000655019314 411478162 /nfs/dbraw/zinc/47/81/62/411478162.db2.gz FABFSVKVUCXOEP-IJLUTSLNSA-N 0 3 240.347 0.558 20 0 BCADHN COC[C@@H](CN1CCN(C2CC2)CC1)OC ZINC000659856261 411478087 /nfs/dbraw/zinc/47/80/87/411478087.db2.gz AZFOVAYRMGCMDV-GFCCVEGCSA-N 0 3 228.336 0.428 20 0 BCADHN COC[C@H](CN1CCN(C2CC2)CC1)OC ZINC000659856263 411478680 /nfs/dbraw/zinc/47/86/80/411478680.db2.gz AZFOVAYRMGCMDV-LBPRGKRZSA-N 0 3 228.336 0.428 20 0 BCADHN NS(=O)(=O)C[C@@H]1CCCN1CCC1CCC1 ZINC000660075193 411533135 /nfs/dbraw/zinc/53/31/35/411533135.db2.gz CPBGSQSNEQLXNO-NSHDSACASA-N 0 3 246.376 0.930 20 0 BCADHN Cc1cc(=NC(=O)[C@H]2CC[C@@H](C3CC3)N2)[nH][nH]1 ZINC000407318932 411478798 /nfs/dbraw/zinc/47/87/98/411478798.db2.gz VEKVNDFXHDJTJK-VHSXEESVSA-N 0 3 234.303 0.609 20 0 BCADHN CC[C@@H]1C[C@@H](NC[C@@H]2CN(C)CCN2C)CO1 ZINC000657357406 411479233 /nfs/dbraw/zinc/47/92/33/411479233.db2.gz NRFNKXFOQMEPNF-JHJVBQTASA-N 0 3 241.379 0.389 20 0 BCADHN CO[C@H](CN1CCCOCC1)[C@@H]1CCOC1 ZINC000659861745 411481365 /nfs/dbraw/zinc/48/13/65/411481365.db2.gz ZJBQKHGPPLTZHP-VXGBXAGGSA-N 0 3 229.320 0.760 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)N(C)Cc2ncc[nH]2)C1 ZINC000127290342 411483076 /nfs/dbraw/zinc/48/30/76/411483076.db2.gz GQSDVUVDESBYBK-UWVGGRQHSA-N 0 3 236.319 0.756 20 0 BCADHN OCC(CO)NCc1cc2ccncc2s1 ZINC000657375698 411483631 /nfs/dbraw/zinc/48/36/31/411483631.db2.gz BRPHJTOIVOWGMZ-UHFFFAOYSA-N 0 3 238.312 0.739 20 0 BCADHN Cc1c[nH]c(CN[C@H]2CCC[C@H](C(N)=O)C2)n1 ZINC000657370345 411483716 /nfs/dbraw/zinc/48/37/16/411483716.db2.gz FPZVWRGPTLXCNB-UWVGGRQHSA-N 0 3 236.319 0.852 20 0 BCADHN CN1CCC[C@H](NC(=O)c2cnccc2N)C1 ZINC000127338054 411484835 /nfs/dbraw/zinc/48/48/35/411484835.db2.gz VGOMHWZWTMPAGJ-VIFPVBQESA-N 0 3 234.303 0.488 20 0 BCADHN CC[C@@H]1C[C@H](N[C@H](CCO)COC)CO1 ZINC000657371102 411485226 /nfs/dbraw/zinc/48/52/26/411485226.db2.gz TVOJBUWLZPZYQO-OUAUKWLOSA-N 0 3 217.309 0.541 20 0 BCADHN C[C@@H](CO)[C@H](C)NCc1cnc2n1CCC2 ZINC000657372798 411486163 /nfs/dbraw/zinc/48/61/63/411486163.db2.gz XDXJXBHXLHPXIL-UWVGGRQHSA-N 0 3 223.320 0.936 20 0 BCADHN C[C@@H](CO)NCc1cc(C(F)(F)F)nn1C ZINC000657378836 411487360 /nfs/dbraw/zinc/48/73/60/411487360.db2.gz MKQXAWNTKOYDIU-LURJTMIESA-N 0 3 237.225 0.909 20 0 BCADHN CCOc1ccc(CNC(CO)CO)c(C)c1 ZINC000657378087 411487495 /nfs/dbraw/zinc/48/74/95/411487495.db2.gz XRWSDUDDXZSHHC-UHFFFAOYSA-N 0 3 239.315 0.837 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCC[C@H]2O)C1 ZINC000655070480 411489228 /nfs/dbraw/zinc/48/92/28/411489228.db2.gz FNZZQRCRVOPXPC-IJLUTSLNSA-N 0 3 240.347 0.700 20 0 BCADHN CCN1CC[C@H](N2CCC[C@@H](CCO)C2)C1=O ZINC000659881661 411489967 /nfs/dbraw/zinc/48/99/67/411489967.db2.gz NVAYPWPOCLXXQA-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@@H]1C[C@@H](NCc2ccc(C(N)=O)nc2)CO1 ZINC000657388756 411490414 /nfs/dbraw/zinc/49/04/14/411490414.db2.gz FDKNLYHXTQDLMS-GHMZBOCLSA-N 0 3 249.314 0.838 20 0 BCADHN CN(C)C[C@@H]1CN([C@H]2COC(C)(C)C2)CCO1 ZINC000659899850 411490777 /nfs/dbraw/zinc/49/07/77/411490777.db2.gz KMOYNXNUZPCNGG-VXGBXAGGSA-N 0 3 242.363 0.816 20 0 BCADHN CN(C)C[C@H]1CN([C@H]2COC(C)(C)C2)CCO1 ZINC000659899847 411491632 /nfs/dbraw/zinc/49/16/32/411491632.db2.gz KMOYNXNUZPCNGG-NEPJUHHUSA-N 0 3 242.363 0.816 20 0 BCADHN COC[C@](C)(CCO)NCc1cnc(C)n1C ZINC000657390083 411491761 /nfs/dbraw/zinc/49/17/61/411491761.db2.gz SLHLAYKFGHARBB-LBPRGKRZSA-N 0 3 241.335 0.606 20 0 BCADHN COCCN(C[C@@H]1C[C@H]2C[C@H]2C1)[C@H](C)C(N)=O ZINC000659902654 411492579 /nfs/dbraw/zinc/49/25/79/411492579.db2.gz BEIOPPCPTYPBOD-WISYIIOYSA-N 0 3 240.347 0.855 20 0 BCADHN Cc1ccncc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000655094425 411493856 /nfs/dbraw/zinc/49/38/56/411493856.db2.gz ARLKIJOYSYVUDD-RYUDHWBXSA-N 0 3 249.314 0.137 20 0 BCADHN CN(C)[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1O ZINC000655096009 411493886 /nfs/dbraw/zinc/49/38/86/411493886.db2.gz MTKGJOWYJGKICQ-IUCAKERBSA-N 0 3 248.273 0.165 20 0 BCADHN CCN1CC[C@H](N(C)C[C@@H]2CCCOC2)C1=O ZINC000659908063 411494362 /nfs/dbraw/zinc/49/43/62/411494362.db2.gz GGPMBMGMUIRMBS-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1(F)F ZINC000655095741 411494515 /nfs/dbraw/zinc/49/45/15/411494515.db2.gz RPTUYHYECQFESJ-RYPBNFRJSA-N 0 3 248.273 0.021 20 0 BCADHN OCC1(NCc2cnc3n2CCC3)CCC1 ZINC000657398894 411494599 /nfs/dbraw/zinc/49/45/99/411494599.db2.gz FCGJIPNEABDHOX-UHFFFAOYSA-N 0 3 221.304 0.834 20 0 BCADHN Cc1ncc(CN[C@@H]2C=C[C@H](CO)C2)n1C ZINC000657398979 411494826 /nfs/dbraw/zinc/49/48/26/411494826.db2.gz QKCCNQGCFMHONM-WDEREUQCSA-N 0 3 221.304 0.755 20 0 BCADHN CCN1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC000037991913 169954758 /nfs/dbraw/zinc/95/47/58/169954758.db2.gz TVNQHLJQILOPAV-UHFFFAOYSA-N 0 3 222.292 0.624 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(C)(C)CO)C1 ZINC000655105521 411495898 /nfs/dbraw/zinc/49/58/98/411495898.db2.gz YEOBPNBRMZWXDT-UWVGGRQHSA-N 0 3 226.320 0.167 20 0 BCADHN C[C@H](CC(N)=O)NCc1cnn2c1CCC2 ZINC000657402128 411496130 /nfs/dbraw/zinc/49/61/30/411496130.db2.gz MWZGXJQZYDNECM-MRVPVSSYSA-N 0 3 222.292 0.183 20 0 BCADHN C[C@H](CCO)CCNC(=O)CN1CC[C@H](C)C1 ZINC000655119638 411498477 /nfs/dbraw/zinc/49/84/77/411498477.db2.gz NZINGGNIVOCACH-RYUDHWBXSA-N 0 3 242.363 0.853 20 0 BCADHN CC[C@@H]1C[C@@H](NC[C@H](C)S(C)(=O)=O)CO1 ZINC000657415976 411499822 /nfs/dbraw/zinc/49/98/22/411499822.db2.gz JSFOOONFKDIJPS-IVZWLZJFSA-N 0 3 235.349 0.577 20 0 BCADHN c1nn2c(c1CN[C@@H]1CCOC1)CCC2 ZINC000657416071 411500145 /nfs/dbraw/zinc/50/01/45/411500145.db2.gz PLDOMHMKVUAREY-SNVBAGLBSA-N 0 3 207.277 0.708 20 0 BCADHN CC[C@@](C)(CO)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000655129453 411500973 /nfs/dbraw/zinc/50/09/73/411500973.db2.gz NKMYBOOKDYTXKX-LOWVWBTDSA-N 0 3 240.347 0.558 20 0 BCADHN CC[C@H](NC(=O)N[C@H]1CCCN(C)C1)[C@@H](C)O ZINC000655132328 411501658 /nfs/dbraw/zinc/50/16/58/411501658.db2.gz IAGBMFHHEIAFIK-VWYCJHECSA-N 0 3 243.351 0.539 20 0 BCADHN CCN1CC[C@@H](N(C)CCCCCO)C1=O ZINC000660435927 411502765 /nfs/dbraw/zinc/50/27/65/411502765.db2.gz KGTSRGPNMRKOQW-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN CC[C@@H]1COCCN1C[C@@H]1CNC(=O)C1 ZINC000659932891 411503441 /nfs/dbraw/zinc/50/34/41/411503441.db2.gz PSENYKONRBXYJP-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H]1C[C@H](N(C)[C@H]2CCN(C)C2=O)CCO1 ZINC000659943032 411505918 /nfs/dbraw/zinc/50/59/18/411505918.db2.gz IAEGBJUQMVSJIE-MXWKQRLJSA-N 0 3 226.320 0.716 20 0 BCADHN CCN1CC[C@@H](N2CC[C@H](COC)C2)C1=O ZINC000659945754 411507481 /nfs/dbraw/zinc/50/74/81/411507481.db2.gz BXHFBYSWCFCXFV-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN CC(=O)c1nc(CCN(C)C[C@@H](C)O)[nH]c1C ZINC000659953243 411509562 /nfs/dbraw/zinc/50/95/62/411509562.db2.gz MZKNVLARVNIWSP-MRVPVSSYSA-N 0 3 239.319 0.776 20 0 BCADHN Cc1c[nH]c(CNCCOCCN(C)C)n1 ZINC000657436087 411509560 /nfs/dbraw/zinc/50/95/60/411509560.db2.gz DHWBLTPGBGXUKA-UHFFFAOYSA-N 0 3 226.324 0.386 20 0 BCADHN C[C@H]1CCN(CC(=O)N2C[C@@H](O)CC[C@@H]2C)C1 ZINC000655161344 411509600 /nfs/dbraw/zinc/50/96/00/411509600.db2.gz VFQKULPVXBOFBC-SRVKXCTJSA-N 0 3 240.347 0.700 20 0 BCADHN CC(=O)c1[nH]c(CCN(C)C[C@@H](C)O)nc1C ZINC000659953243 411509565 /nfs/dbraw/zinc/50/95/65/411509565.db2.gz MZKNVLARVNIWSP-MRVPVSSYSA-N 0 3 239.319 0.776 20 0 BCADHN C[C@H](O)CN(C)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000659953682 411509884 /nfs/dbraw/zinc/50/98/84/411509884.db2.gz SGPKNFGWGJNPLP-IRCOFANPSA-N 0 3 240.347 0.746 20 0 BCADHN CCN1OC[C@@H](N2C[C@@H]3[C@H](C2)C3(C)C)C1=O ZINC000659955728 411511428 /nfs/dbraw/zinc/51/14/28/411511428.db2.gz MXFHTESBQRCDNP-KXUCPTDWSA-N 0 3 224.304 0.737 20 0 BCADHN OCCCCNCc1cnn2c1CCC2 ZINC000657450992 411511729 /nfs/dbraw/zinc/51/17/29/411511729.db2.gz BRCATQDVPNJAIY-UHFFFAOYSA-N 0 3 209.293 0.691 20 0 BCADHN OC[C@H](CC(F)F)NCc1cnn2c1CCC2 ZINC000657449404 411511823 /nfs/dbraw/zinc/51/18/23/411511823.db2.gz XFSGEGOJYMRAIX-VIFPVBQESA-N 0 3 245.273 0.935 20 0 BCADHN CCC1(O)CCN(C[C@H](COC)OC)CC1 ZINC000659960797 411512808 /nfs/dbraw/zinc/51/28/08/411512808.db2.gz MBDBEWHTUDNXQO-LLVKDONJSA-N 0 3 231.336 0.885 20 0 BCADHN CO[C@H](C)CNCc1cnn2c1CCC2 ZINC000657447809 411513448 /nfs/dbraw/zinc/51/34/48/411513448.db2.gz SRRFTRMHFJHHJT-SECBINFHSA-N 0 3 209.293 0.954 20 0 BCADHN Cc1ncc(CNC[C@H]2CCCC(=O)N2)n1C ZINC000657453154 411514499 /nfs/dbraw/zinc/51/44/99/411514499.db2.gz WHRJAPVCOHHXDF-SNVBAGLBSA-N 0 3 236.319 0.487 20 0 BCADHN CCOc1ccc(CNC[C@H](O)CO)c(C)c1 ZINC000657454118 411514885 /nfs/dbraw/zinc/51/48/85/411514885.db2.gz IGBHPDOBWNBAOY-LBPRGKRZSA-N 0 3 239.315 0.837 20 0 BCADHN CCOc1ccc(CNC[C@@H](O)CO)c(C)c1 ZINC000657454117 411515226 /nfs/dbraw/zinc/51/52/26/411515226.db2.gz IGBHPDOBWNBAOY-GFCCVEGCSA-N 0 3 239.315 0.837 20 0 BCADHN Cc1ccc2cc(CNC[C@@H](O)CO)[nH]c2c1 ZINC000657454030 411515306 /nfs/dbraw/zinc/51/53/06/411515306.db2.gz GDSLZGARRHRMMF-GFCCVEGCSA-N 0 3 234.299 0.919 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)Nc1nncs1 ZINC000307758155 411515367 /nfs/dbraw/zinc/51/53/67/411515367.db2.gz NOTIGUCKNXKFPZ-RXMQYKEDSA-N 0 3 212.278 0.475 20 0 BCADHN CO[C@](C)(CO)CN[C@@H](C)c1cncnc1C ZINC000655794946 411515843 /nfs/dbraw/zinc/51/58/43/411515843.db2.gz AJAOLURHAOMQBJ-CABZTGNLSA-N 0 3 239.319 0.833 20 0 BCADHN CO[C@H](CN1C[C@@H](O)[C@@H](O)C1)C1CCCCC1 ZINC000659978597 411515938 /nfs/dbraw/zinc/51/59/38/411515938.db2.gz FXRLNDOYZMJUBB-FRRDWIJNSA-N 0 3 243.347 0.619 20 0 BCADHN Cc1cccc2[nH]c(CNC[C@@H](O)CO)cc21 ZINC000657456132 411515988 /nfs/dbraw/zinc/51/59/88/411515988.db2.gz XGRSYNQRXIVZOE-LLVKDONJSA-N 0 3 234.299 0.919 20 0 BCADHN Cc1cccc2[nH]c(CNC[C@H](O)CO)cc21 ZINC000657456351 411516627 /nfs/dbraw/zinc/51/66/27/411516627.db2.gz XGRSYNQRXIVZOE-NSHDSACASA-N 0 3 234.299 0.919 20 0 BCADHN COCC[C@H](CO)NCc1cnc2n1CCC2 ZINC000657458862 411517632 /nfs/dbraw/zinc/51/76/32/411517632.db2.gz QJTQSQHRHRFZKL-SNVBAGLBSA-N 0 3 239.319 0.316 20 0 BCADHN CCc1nn(C)cc1CNC[C@](C)(CO)OC ZINC000655806557 411520360 /nfs/dbraw/zinc/52/03/60/411520360.db2.gz BRQMFURQJTVMLU-GFCCVEGCSA-N 0 3 241.335 0.470 20 0 BCADHN CCc1ncc(CNC[C@](C)(CO)OC)cn1 ZINC000655806918 411520484 /nfs/dbraw/zinc/52/04/84/411520484.db2.gz DSITXUPZVPHDON-GFCCVEGCSA-N 0 3 239.319 0.526 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H](CO)COC)CO1 ZINC000657457288 411520721 /nfs/dbraw/zinc/52/07/21/411520721.db2.gz TWRLHBFKUHVXEY-LPEHRKFASA-N 0 3 203.282 0.151 20 0 BCADHN CO[C@@](C)(CO)CNCc1cnccc1C ZINC000655807674 411521474 /nfs/dbraw/zinc/52/14/74/411521474.db2.gz MXNZHYTZJDAKON-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN CO[C@](C)(CO)CNCc1c(C)nn(C)c1C ZINC000655808685 411522536 /nfs/dbraw/zinc/52/25/36/411522536.db2.gz GQCWSFZRFMBTHL-LBPRGKRZSA-N 0 3 241.335 0.524 20 0 BCADHN O=C1NC[C@H]2CN(CC3CC=CC3)CCN12 ZINC000659992430 411523126 /nfs/dbraw/zinc/52/31/26/411523126.db2.gz HSNUXEQWCNIFJG-NSHDSACASA-N 0 3 221.304 0.662 20 0 BCADHN COC[C@@H](CN[C@](C)(CCO)COC)OC ZINC000659996332 411523738 /nfs/dbraw/zinc/52/37/38/411523738.db2.gz LJRHJWIQPMMSSD-GHMZBOCLSA-N 0 3 235.324 0.025 20 0 BCADHN COC[C@](C)(O)CCNCc1cn[nH]c1 ZINC000657476947 411523980 /nfs/dbraw/zinc/52/39/80/411523980.db2.gz HDBJDBVSJDOEER-SNVBAGLBSA-N 0 3 213.281 0.287 20 0 BCADHN CC[C@H]1C[C@@H](N[C@H]2CCCNC2=O)CO1 ZINC000657478647 411525681 /nfs/dbraw/zinc/52/56/81/411525681.db2.gz OKFLDCPVDPBPLO-UTLUCORTSA-N 0 3 212.293 0.422 20 0 BCADHN C[C@@H]1N(C[C@@H]2CNC(=O)C2)CCOC1(C)C ZINC000660006456 411526113 /nfs/dbraw/zinc/52/61/13/411526113.db2.gz NSLOPPAWSGYOMR-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN NC(=O)Cn1cc(CNCCCC2CC2)nn1 ZINC000655822125 411526373 /nfs/dbraw/zinc/52/63/73/411526373.db2.gz NJXJIASCFVHQFD-UHFFFAOYSA-N 0 3 237.307 0.043 20 0 BCADHN CC[C@@H](NCc1cn[nH]c1)[C@H](O)C(F)F ZINC000657477830 411526938 /nfs/dbraw/zinc/52/69/38/411526938.db2.gz BCCURHNXAWWANL-SFYZADRCSA-N 0 3 219.235 0.904 20 0 BCADHN OCCCN1CCC[C@H]1CNCc1cn[nH]c1 ZINC000657480756 411526987 /nfs/dbraw/zinc/52/69/87/411526987.db2.gz VJQOQRTVACOMOQ-LBPRGKRZSA-N 0 3 238.335 0.346 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H]2CC(=O)N(CC)C2)CO1 ZINC000657481326 411527103 /nfs/dbraw/zinc/52/71/03/411527103.db2.gz BYAJJPZMFWLQFN-OUAUKWLOSA-N 0 3 226.320 0.764 20 0 BCADHN CO[C@@H]1COCC[C@H]1CNCc1nc(C)c[nH]1 ZINC000657480539 411527475 /nfs/dbraw/zinc/52/74/75/411527475.db2.gz YCHOLDXPCLXGIY-WDEREUQCSA-N 0 3 239.319 0.859 20 0 BCADHN C[C@H](Cc1cnn(C)c1)NCc1cn[nH]c1 ZINC000657482868 411527803 /nfs/dbraw/zinc/52/78/03/411527803.db2.gz DRBBGEYUQQXIPD-SECBINFHSA-N 0 3 219.292 0.864 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H]1CO[C@H](CC)C1 ZINC000657484125 411529096 /nfs/dbraw/zinc/52/90/96/411529096.db2.gz CWIFANPYKZGCPO-IRCOFANPSA-N 0 3 229.320 0.947 20 0 BCADHN C[C@@H](N[C@H]1CCc2c(nnn2C)C1)c1cn[nH]c1 ZINC000655827155 411529881 /nfs/dbraw/zinc/52/98/81/411529881.db2.gz OABOKSHSLVWWRO-SCZZXKLOSA-N 0 3 246.318 0.746 20 0 BCADHN Cn1cnc(CCNCc2cn[nH]c2)c1 ZINC000657488650 411531663 /nfs/dbraw/zinc/53/16/63/411531663.db2.gz JOUHQIDWWLJXCC-UHFFFAOYSA-N 0 3 205.265 0.476 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCc3c[nH]nc3C2)C1 ZINC000654939839 411465257 /nfs/dbraw/zinc/46/52/57/411465257.db2.gz JPYWIBOHKAYRBX-JTQLQIEISA-N 0 3 248.330 0.636 20 0 BCADHN COC[C@H](CN1CCN(C(C)C)CC1)OC ZINC000659827015 411465701 /nfs/dbraw/zinc/46/57/01/411465701.db2.gz PSTMFTQWMDQPLS-LBPRGKRZSA-N 0 3 230.352 0.674 20 0 BCADHN C[C@H](CO)CNCc1cnn2c1CCC2 ZINC000657328222 411466544 /nfs/dbraw/zinc/46/65/44/411466544.db2.gz SEKOEGIGXOSXEM-VIFPVBQESA-N 0 3 209.293 0.547 20 0 BCADHN CCN1CC[C@H](NC(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000334125347 170017603 /nfs/dbraw/zinc/01/76/03/170017603.db2.gz OUXYJUUGHWZYMT-UKKRHICBSA-N 0 3 239.319 0.025 20 0 BCADHN CCN1CC[C@H]2OCCN(CCOC)[C@@H]2C1 ZINC000339387441 170024658 /nfs/dbraw/zinc/02/46/58/170024658.db2.gz KSALHHOWLVIERE-VXGBXAGGSA-N 0 3 228.336 0.428 20 0 BCADHN CCN1C[C@@H](C)N(CCOCCO)C[C@H]1C ZINC000346207075 170028268 /nfs/dbraw/zinc/02/82/68/170028268.db2.gz MPUWCALRGNJLCR-VXGBXAGGSA-N 0 3 230.352 0.410 20 0 BCADHN CCN1C[C@@H](N[C@H]2COC(C)(C)C2)CC1=O ZINC000335358412 170031476 /nfs/dbraw/zinc/03/14/76/170031476.db2.gz PAWICXVTFYGWIP-VHSXEESVSA-N 0 3 226.320 0.764 20 0 BCADHN CCN1C[C@H](C)N(C[C@@H](C)O)C[C@H]1C ZINC000337185818 170033496 /nfs/dbraw/zinc/03/34/96/170033496.db2.gz PBNIKSKSKSIPIW-OUAUKWLOSA-N 0 3 200.326 0.782 20 0 BCADHN CCN1C[C@H](N[C@@H](C)c2nncn2C)[C@@H](C)C1 ZINC000361114321 170037086 /nfs/dbraw/zinc/03/70/86/170037086.db2.gz ROSLFPRLPKVVNH-DCAQKATOSA-N 0 3 237.351 0.806 20 0 BCADHN CCN1C[C@H](N[C@@H](C)c2ncnn2C)[C@@H](C)C1 ZINC000353342615 170037195 /nfs/dbraw/zinc/03/71/95/170037195.db2.gz HQKKXJBOBMSWDA-DCAQKATOSA-N 0 3 237.351 0.806 20 0 BCADHN CCN1C[C@H](N[C@H]2CCCN(C)C2=O)[C@@H](C)C1 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/nfs/dbraw/zinc/05/39/66/170053966.db2.gz CWIWJVILFFJRPH-UHFFFAOYSA-N 0 3 224.308 0.341 20 0 BCADHN CCNC(=O)CN(C)C[C@H]1CCCOC1 ZINC000107800797 170055570 /nfs/dbraw/zinc/05/55/70/170055570.db2.gz XJNGNKJHPQEIFJ-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN CCNC(=O)CN1CCC[C@@H](CO)CC1 ZINC000331932358 170059352 /nfs/dbraw/zinc/05/93/52/170059352.db2.gz HRQUGGIMKVLBGW-SNVBAGLBSA-N 0 3 214.309 0.217 20 0 BCADHN CCNC(=O)CN1CCC[C@@H](c2nc[nH]n2)C1 ZINC000331302980 170059415 /nfs/dbraw/zinc/05/94/15/170059415.db2.gz QHGLQYSWPPPIFG-SECBINFHSA-N 0 3 237.307 0.120 20 0 BCADHN CCNC(=O)CN1CC[C@H](C2CCOCC2)C1 ZINC000361955717 170060909 /nfs/dbraw/zinc/06/09/09/170060909.db2.gz VOXZZTNYARAIQU-LBPRGKRZSA-N 0 3 240.347 0.871 20 0 BCADHN CCNC(=O)CN1C[C@H](C)N(CC)C[C@@H]1C ZINC000346150937 170061305 /nfs/dbraw/zinc/06/13/05/170061305.db2.gz AYFPNFTVUUJOQN-QWRGUYRKSA-N 0 3 227.352 0.537 20 0 BCADHN CCNC(=O)CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000374389287 170061389 /nfs/dbraw/zinc/06/13/89/170061389.db2.gz 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241.335 0.810 20 0 BCADHN CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000337815657 170079416 /nfs/dbraw/zinc/07/94/16/170079416.db2.gz NEXDHSXFWVXACG-UHFFFAOYSA-N 0 3 242.367 0.332 20 0 BCADHN CCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000336573094 170083519 /nfs/dbraw/zinc/08/35/19/170083519.db2.gz RKQSXMREPBBUFD-SCZZXKLOSA-N 0 3 211.309 0.788 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@@H](C)COCC ZINC000044723979 170087714 /nfs/dbraw/zinc/08/77/14/170087714.db2.gz ASUKQXDCLRKEJK-DTWKUNHWSA-N 0 3 202.298 0.526 20 0 BCADHN CCNC(=O)[C@@H](C)NC[C@H]1CCC=CO1 ZINC000050267968 170087885 /nfs/dbraw/zinc/08/78/85/170087885.db2.gz FGQPPBDHSDRGDC-NXEZZACHSA-N 0 3 212.293 0.793 20 0 BCADHN CCNC(=O)[C@@H](C)NCc1[nH]ncc1C ZINC000290028457 170088437 /nfs/dbraw/zinc/08/84/37/170088437.db2.gz VPQZJBJFSHSHBU-MRVPVSSYSA-N 0 3 210.281 0.332 20 0 BCADHN CCNC(=O)[C@@H](C)NC[C@@H](O)c1ccccc1 ZINC000035114577 170088626 /nfs/dbraw/zinc/08/86/26/170088626.db2.gz ALIOFLBWXFYAQJ-ZYHUDNBSSA-N 0 3 236.315 0.834 20 0 BCADHN CCNC(=O)[C@@H](NCCC(=O)OCC)C(C)C ZINC000339320983 170090636 /nfs/dbraw/zinc/09/06/36/170090636.db2.gz INYVMRKRQXIBNP-NSHDSACASA-N 0 3 244.335 0.690 20 0 BCADHN Cc1ncc(CNCC[C@]2(O)CCOC2)n1C ZINC000657499801 411536610 /nfs/dbraw/zinc/53/66/10/411536610.db2.gz DSHCEMKSKPJRAY-LBPRGKRZSA-N 0 3 239.319 0.360 20 0 BCADHN CCNC(=O)[C@H](C)NC(=O)[C@H](N)[C@H](C)CC ZINC000036135294 170094116 /nfs/dbraw/zinc/09/41/16/170094116.db2.gz WHDCGQGJOBMEFY-HRDYMLBCSA-N 0 3 229.324 0.001 20 0 BCADHN CCNC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000126152378 170094354 /nfs/dbraw/zinc/09/43/54/170094354.db2.gz NPANFCMTHKQDIE-UTLUCORTSA-N 0 3 241.335 0.015 20 0 BCADHN CCNC(=O)[C@H](C)NCCC(C)(C)C(=O)OC ZINC000354562275 170094753 /nfs/dbraw/zinc/09/47/53/170094753.db2.gz CIXHVIFDPCXQDI-VIFPVBQESA-N 0 3 244.335 0.690 20 0 BCADHN CCNC(=O)[C@H](NC[C@@H](O)COCC)C(C)C ZINC000339327314 170098698 /nfs/dbraw/zinc/09/86/98/170098698.db2.gz GDMWCPTZHJFPLX-GHMZBOCLSA-N 0 3 246.351 0.134 20 0 BCADHN CCNC(=O)c1ccc(CNC(=O)CNC)cc1 ZINC000236946902 170101561 /nfs/dbraw/zinc/10/15/61/170101561.db2.gz SFPBEDBDNLDTOK-UHFFFAOYSA-N 0 3 249.314 0.272 20 0 BCADHN CCNC(=O)c1ccccc1NC(=O)[C@@H](C)N ZINC000083903488 170103383 /nfs/dbraw/zinc/10/33/83/170103383.db2.gz GDKKOODEVKUIQE-MRVPVSSYSA-N 0 3 235.287 0.722 20 0 BCADHN CCNC(=O)c1cccc(CNC(=O)[C@@H](C)N)c1 ZINC000236950923 170103594 /nfs/dbraw/zinc/10/35/94/170103594.db2.gz XOSLJWMBMYVTHJ-SECBINFHSA-N 0 3 249.314 0.400 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)N2CCOCC2)CCN1 ZINC000660188524 411552238 /nfs/dbraw/zinc/55/22/38/411552238.db2.gz PRQRWYFADZCZAH-NSHDSACASA-N 0 3 241.335 0.368 20 0 BCADHN CCN(C)S(=O)(=O)N1CCN[C@H](C(C)C)C1 ZINC000660187191 411552246 /nfs/dbraw/zinc/55/22/46/411552246.db2.gz BHJNTXZOTYHPRD-JTQLQIEISA-N 0 3 249.380 0.113 20 0 BCADHN CCN1OC[C@@H](N[C@@H](C)C2CCOCC2)C1=O ZINC000660198293 411552852 /nfs/dbraw/zinc/55/28/52/411552852.db2.gz OLJUAFGZTBJHFU-GXSJLCMTSA-N 0 3 242.319 0.553 20 0 BCADHN CCNS(=O)(=O)N1CCCN(C)C[C@H]1CC ZINC000366402378 170133781 /nfs/dbraw/zinc/13/37/81/170133781.db2.gz UUNAOWAMVFDJQC-SNVBAGLBSA-N 0 3 249.380 0.257 20 0 BCADHN CC(C)[C@@H]1CN(C[C@@H]2CNC(=O)C2)CCO1 ZINC000660221168 411554940 /nfs/dbraw/zinc/55/49/40/411554940.db2.gz MSEKCLQVLCKWHI-QWRGUYRKSA-N 0 3 226.320 0.479 20 0 BCADHN CO[C@H](CNCc1cn[nH]c1)[C@H]1CCOC1 ZINC000657541860 411546993 /nfs/dbraw/zinc/54/69/93/411546993.db2.gz GQVSQJIWVNKSNF-WDEREUQCSA-N 0 3 225.292 0.551 20 0 BCADHN CO[C@@H](CNCc1ccnn1C)[C@H]1CCOC1 ZINC000657542131 411547014 /nfs/dbraw/zinc/54/70/14/411547014.db2.gz HPUZWPSJYZYGCW-JQWIXIFHSA-N 0 3 239.319 0.561 20 0 BCADHN CO[C@H](CNCc1n[nH]cc1C)[C@H]1CCOC1 ZINC000657542314 411547308 /nfs/dbraw/zinc/54/73/08/411547308.db2.gz PJOAOLIIXIXSOO-CMPLNLGQSA-N 0 3 239.319 0.859 20 0 BCADHN CCNc1nc(C(=O)NCCN(C)C)cs1 ZINC000155347813 170176307 /nfs/dbraw/zinc/17/63/07/170176307.db2.gz AVDQZDNZEFHXMR-UHFFFAOYSA-N 0 3 242.348 0.866 20 0 BCADHN CCN1CC[C@H](N(C)CC2CCOCC2)C1=O ZINC000660162296 411549816 /nfs/dbraw/zinc/54/98/16/411549816.db2.gz VCACZBYEJOVLGA-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1CN(CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC000660163941 411549888 /nfs/dbraw/zinc/54/98/88/411549888.db2.gz CELZZXDWOJJPQL-IWSPIJDZSA-N 0 3 221.247 0.723 20 0 BCADHN C[C@H]1CN(Cc2ccc(N(C)C)nc2)C[C@@H]1O ZINC000660164273 411549989 /nfs/dbraw/zinc/54/99/89/411549989.db2.gz DPWHOVIWMQRWJL-JQWIXIFHSA-N 0 3 235.331 0.960 20 0 BCADHN COc1nccc(CN[C@H](CO)C2CCC2)n1 ZINC000657558192 411550086 /nfs/dbraw/zinc/55/00/86/411550086.db2.gz BDUXXMZDKCTWRZ-LLVKDONJSA-N 0 3 237.303 0.736 20 0 BCADHN CCOC(=O)CC(=O)N1CCN(C)CC[C@H]1C ZINC000354021541 170194996 /nfs/dbraw/zinc/19/49/96/170194996.db2.gz YECZCJGMASKUAB-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN Cn1nccc1CN[C@@H](CO)C1CCC1 ZINC000657558226 411550447 /nfs/dbraw/zinc/55/04/47/411550447.db2.gz KPGDJLFXZAZJND-NSHDSACASA-N 0 3 209.293 0.671 20 0 BCADHN COC[C@H](CN1CCN(C)[C@H](C)[C@H]1C)OC ZINC000660167701 411550583 /nfs/dbraw/zinc/55/05/83/411550583.db2.gz JNKPVHCJYMIEKZ-UTUOFQBUSA-N 0 3 230.352 0.672 20 0 BCADHN CCOC(=O)CCCNC(=O)[C@@H](N)CC(C)C ZINC000081524164 170201879 /nfs/dbraw/zinc/20/18/79/170201879.db2.gz BUFPCBLPGPBSDG-JTQLQIEISA-N 0 3 244.335 0.819 20 0 BCADHN CCOC(=O)CCCNC(=O)[C@@]1(F)CCNC1 ZINC000363748424 170201911 /nfs/dbraw/zinc/20/19/11/170201911.db2.gz IDNYHNCBEDNWBM-LLVKDONJSA-N 0 3 246.282 0.148 20 0 BCADHN CCOC(=O)CCCNC(=O)[C@H](CC)N(C)C ZINC000126374225 170202186 /nfs/dbraw/zinc/20/21/86/170202186.db2.gz VWKOLCJMVMQJTD-JTQLQIEISA-N 0 3 244.335 0.786 20 0 BCADHN CCOC(=O)CCCNC(=O)CN(CC)CC ZINC000061757439 170202229 /nfs/dbraw/zinc/20/22/29/170202229.db2.gz JWIPONSNBVGAOC-UHFFFAOYSA-N 0 3 244.335 0.788 20 0 BCADHN CCOC(=O)CCN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000123585158 170207517 /nfs/dbraw/zinc/20/75/17/170207517.db2.gz HTINMLLRTUYGMD-PHIMTYICSA-N 0 3 228.336 0.964 20 0 BCADHN CCOC(=O)CCNC(=O)[C@H](N)CC(F)F ZINC000309175986 170208372 /nfs/dbraw/zinc/20/83/72/170208372.db2.gz CLAKGKRHZIEUAT-ZCFIWIBFSA-N 0 3 238.234 0.038 20 0 BCADHN CCOC(=O)CCN[C@@H](CO)[C@@H]1CCCO1 ZINC000336779001 170209738 /nfs/dbraw/zinc/20/97/38/170209738.db2.gz MYEJNXYAUIAVRW-UWVGGRQHSA-N 0 3 231.292 0.069 20 0 BCADHN CCOC(=O)CC[C@@H](C)NC(=O)CNC ZINC000193139412 170210671 /nfs/dbraw/zinc/21/06/71/170210671.db2.gz XHLFYOWEXAXIAX-MRVPVSSYSA-N 0 3 216.281 0.054 20 0 BCADHN CCN1OC[C@H](N(C)CCN(C)C2CC2)C1=O ZINC000660303278 411566799 /nfs/dbraw/zinc/56/67/99/411566799.db2.gz PPZADQSKXIYEEW-NSHDSACASA-N 0 3 241.335 0.175 20 0 BCADHN CCOC(=O)CN1C[C@H](C)N(CC)C[C@@H]1C ZINC000341901990 170221302 /nfs/dbraw/zinc/22/13/02/170221302.db2.gz DSKHQENPORABLF-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1CC[C@H](N[C@H]2CCOC2)CS1(=O)=O ZINC000657637567 411567585 /nfs/dbraw/zinc/56/75/85/411567585.db2.gz LEJYSTAUTTWIJV-UTLUCORTSA-N 0 3 233.333 0.331 20 0 BCADHN CCOC(=O)COCCN1CCC[C@H](O)CC1 ZINC000339788362 170227945 /nfs/dbraw/zinc/22/79/45/170227945.db2.gz OGZZVVYYGJTMML-NSHDSACASA-N 0 3 245.319 0.413 20 0 BCADHN CCOC(=O)COCCN1C[C@@H](C)[C@@H]1C ZINC000339577203 170228251 /nfs/dbraw/zinc/22/82/51/170228251.db2.gz FIHAAGBFQKIYJO-ZJUUUORDSA-N 0 3 215.293 0.906 20 0 BCADHN CO[C@@H](CN(C)[C@@]1(CO)CCOC1)C1CCC1 ZINC000660235511 411556912 /nfs/dbraw/zinc/55/69/12/411556912.db2.gz GMXNSSFFNUZFHP-QWHCGFSZSA-N 0 3 243.347 0.885 20 0 BCADHN COC[C@@H](CN[C@H](CO)c1ccccc1)OC ZINC000660235240 411557047 /nfs/dbraw/zinc/55/70/47/411557047.db2.gz FCMMZEMTVGLTKN-CHWSQXEVSA-N 0 3 239.315 0.971 20 0 BCADHN CCN1CC[C@H](N2CC[C@@H]([C@@H](C)O)C2)C1=O ZINC000660234979 411557123 /nfs/dbraw/zinc/55/71/23/411557123.db2.gz ZWIBNZVRJHYWPC-MXWKQRLJSA-N 0 3 226.320 0.310 20 0 BCADHN CNC(=O)[C@@H]1CN(CC2CC=CC2)CCO1 ZINC000660239280 411557574 /nfs/dbraw/zinc/55/75/74/411557574.db2.gz PVWKPEPSJHXJME-NSHDSACASA-N 0 3 224.304 0.399 20 0 BCADHN Cc1ccncc1CCNCc1cnnn1C ZINC000657587319 411557948 /nfs/dbraw/zinc/55/79/48/411557948.db2.gz ARMVKKGALDQOCN-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NCCCC(C)C ZINC000657601446 411558326 /nfs/dbraw/zinc/55/83/26/411558326.db2.gz CDRVDKAGCPBFEP-QWRGUYRKSA-N 0 3 249.376 0.824 20 0 BCADHN CCOC(=O)[C@@H](C)[C@H](C)NCc1cn[nH]n1 ZINC000295755723 170248806 /nfs/dbraw/zinc/24/88/06/170248806.db2.gz OJKSFLUGMYDUKZ-YUMQZZPRSA-N 0 3 226.280 0.482 20 0 BCADHN CCOC(=O)[C@@H](C)[C@H](C)NCc1c[nH]nn1 ZINC000295755723 170248807 /nfs/dbraw/zinc/24/88/07/170248807.db2.gz OJKSFLUGMYDUKZ-YUMQZZPRSA-N 0 3 226.280 0.482 20 0 BCADHN CCOC(=O)[C@@H](C)[C@H](C)NCc1n[nH]c(C)n1 ZINC000293139234 170249221 /nfs/dbraw/zinc/24/92/21/170249221.db2.gz LRRKAFYVNGIALL-YUMQZZPRSA-N 0 3 240.307 0.790 20 0 BCADHN OC/C=C/CNCc1cccc2nccn21 ZINC000657593573 411559280 /nfs/dbraw/zinc/55/92/80/411559280.db2.gz VLYHXJZHVGENOZ-OWOJBTEDSA-N 0 3 217.272 0.972 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CCC(C)(O)CC1 ZINC000331040925 170260769 /nfs/dbraw/zinc/26/07/69/170260769.db2.gz CHZWCNOWGCHDMK-LBPRGKRZSA-N 0 3 245.319 0.147 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)[C@@]1(F)CCNC1 ZINC000361723780 170264912 /nfs/dbraw/zinc/26/49/12/170264912.db2.gz XPNVHAQAPDVTGW-LDYMZIIASA-N 0 3 246.282 0.003 20 0 BCADHN CCn1nnc(C)c1CN[C@H](C)C1(CO)CC1 ZINC000657607372 411561133 /nfs/dbraw/zinc/56/11/33/411561133.db2.gz INZHLAZUOQVLHJ-SNVBAGLBSA-N 0 3 238.335 0.857 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)C(N)=O ZINC000309061492 170269714 /nfs/dbraw/zinc/26/97/14/170269714.db2.gz WWXVQHINUWOERT-PRJMDXOYSA-N 0 3 216.281 0.038 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)NCc1cnnn1C ZINC000289622964 170270728 /nfs/dbraw/zinc/27/07/28/170270728.db2.gz VFSYBEQDGRIQAF-BDAKNGLRSA-N 0 3 240.307 0.492 20 0 BCADHN Cc1nn(C)cc1CN[C@H](C)C1(CO)CC1 ZINC000657608463 411561716 /nfs/dbraw/zinc/56/17/16/411561716.db2.gz UBTNYKHMIXVYRI-SNVBAGLBSA-N 0 3 223.320 0.979 20 0 BCADHN Cc1cnn(C)c1CN[C@H](C)C1(CO)CC1 ZINC000657608812 411561924 /nfs/dbraw/zinc/56/19/24/411561924.db2.gz YNFSADKGLRIQDR-SNVBAGLBSA-N 0 3 223.320 0.979 20 0 BCADHN COCc1nnc(C[NH2+]C[C@H]2CCSC2)[n-]1 ZINC000657609684 411562469 /nfs/dbraw/zinc/56/24/69/411562469.db2.gz RWGZOBDDYVQQLE-MRVPVSSYSA-N 0 3 242.348 0.794 20 0 BCADHN COCc1n[nH]c(CN[C@@H]2CCCSC2)n1 ZINC000657608993 411562561 /nfs/dbraw/zinc/56/25/61/411562561.db2.gz HQAQJUFMAHOJRC-MRVPVSSYSA-N 0 3 242.348 0.936 20 0 BCADHN Cc1n[nH]cc1CN[C@@H](C)C1(CO)CC1 ZINC000657602970 411563483 /nfs/dbraw/zinc/56/34/83/411563483.db2.gz MIZUOYIAVYKMSL-VIFPVBQESA-N 0 3 209.293 0.969 20 0 BCADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NCC(C)(C)C ZINC000657604494 411563765 /nfs/dbraw/zinc/56/37/65/411563765.db2.gz PJEFNMXUVCKTBZ-IUCAKERBSA-N 0 3 235.349 0.434 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCCOCC1 ZINC000368393374 170283505 /nfs/dbraw/zinc/28/35/05/170283505.db2.gz KAZYZYHQBGSXTN-LLVKDONJSA-N 0 3 231.292 0.023 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCC[C@@](C)(O)C1 ZINC000331063027 170283914 /nfs/dbraw/zinc/28/39/14/170283914.db2.gz PBQOWWMLYILQLB-VXGBXAGGSA-N 0 3 245.319 0.147 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCCC[C@@H]1CO ZINC000354818408 170284391 /nfs/dbraw/zinc/28/43/91/170284391.db2.gz LJZUROJHHNVDKO-ZYHUDNBSSA-N 0 3 245.319 0.147 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CC[C@@H](O)C1(C)C ZINC000361426781 170285217 /nfs/dbraw/zinc/28/52/17/170285217.db2.gz QJWQGCNESJRKLN-BXKDBHETSA-N 0 3 245.319 0.146 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CC[C@H](O)C1(C)C ZINC000361426788 170285413 /nfs/dbraw/zinc/28/54/13/170285413.db2.gz QJWQGCNESJRKLN-JOYOIKCWSA-N 0 3 245.319 0.146 20 0 BCADHN Cn1cc(CNCCO[C@@H]2CC2(F)F)cn1 ZINC000657619212 411564951 /nfs/dbraw/zinc/56/49/51/411564951.db2.gz UEWGKBRPJJXJRB-SECBINFHSA-N 0 3 231.246 0.934 20 0 BCADHN CCOC(=O)c1cc(NC(=O)[C@H](C)N)cn1C ZINC000262487548 170292763 /nfs/dbraw/zinc/29/27/63/170292763.db2.gz VPEHFPOMDXDVTN-ZETCQYMHSA-N 0 3 239.275 0.488 20 0 BCADHN CCOC1CC(O)(CNCc2cncn2C)C1 ZINC000277693043 170330095 /nfs/dbraw/zinc/33/00/95/170330095.db2.gz KPIUMOZUYFFMBR-UHFFFAOYSA-N 0 3 239.319 0.440 20 0 BCADHN CCOCC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000119215751 170340676 /nfs/dbraw/zinc/34/06/76/170340676.db2.gz YUATZTJXMFAPRZ-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCOCC(=O)N1CCN(C)CC[C@@H]1C ZINC000336601819 170340794 /nfs/dbraw/zinc/34/07/94/170340794.db2.gz BGEGQGHGWGFPBB-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CCOCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000112282073 170341167 /nfs/dbraw/zinc/34/11/67/170341167.db2.gz KLJKHUKBDYLFDL-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN CCOCC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000336438945 170341491 /nfs/dbraw/zinc/34/14/91/170341491.db2.gz DHKMMMOXJKPZFI-ZDUSSCGKSA-N 0 3 240.347 0.967 20 0 BCADHN CCOCC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360363748 170344758 /nfs/dbraw/zinc/34/47/58/170344758.db2.gz RYEVWPAZYRZUNN-NSHDSACASA-N 0 3 246.376 0.576 20 0 BCADHN CCOCC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272677082 170346080 /nfs/dbraw/zinc/34/60/80/170346080.db2.gz KAKVSTQXFQTQPZ-SNVBAGLBSA-N 0 3 226.320 0.790 20 0 BCADHN CCOCCCC(=O)N[C@@H](C)CN(C)C ZINC000346179367 170365617 /nfs/dbraw/zinc/36/56/17/170365617.db2.gz BDYIFAABDGULIZ-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN CCOCCCC(=O)N[C@H](C)CN(C)C ZINC000346179368 170366373 /nfs/dbraw/zinc/36/63/73/170366373.db2.gz BDYIFAABDGULIZ-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN CCOCCCCNC(=O)[C@@H](N)CC(F)F ZINC000345711179 170368136 /nfs/dbraw/zinc/36/81/36/170368136.db2.gz KLEXMPYPLUBWOM-QMMMGPOBSA-N 0 3 238.278 0.902 20 0 BCADHN CCOCCCN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000337356611 170373255 /nfs/dbraw/zinc/37/32/55/170373255.db2.gz CMCADIMYKZGESI-CHWSQXEVSA-N 0 3 244.379 0.800 20 0 BCADHN CCOCCCN1CCc2n[nH]c(=O)cc2C1 ZINC000360432756 170374928 /nfs/dbraw/zinc/37/49/28/170374928.db2.gz ABUNBCPUBWBPJW-UHFFFAOYSA-N 0 3 237.303 0.967 20 0 BCADHN CCOCCCNC(=O)/C=C/CN(C)C ZINC000264639580 170376206 /nfs/dbraw/zinc/37/62/06/170376206.db2.gz QDNGFJSTXHTMDL-FNORWQNLSA-N 0 3 214.309 0.647 20 0 BCADHN CCOCCN(C)CCN1CCCOCC1 ZINC000361348608 170388611 /nfs/dbraw/zinc/38/86/11/170388611.db2.gz LYZKTTJJDPJJND-UHFFFAOYSA-N 0 3 230.352 0.677 20 0 BCADHN CCOCCN(C)[C@]1(CO)CCOC1 ZINC000359832699 170392015 /nfs/dbraw/zinc/39/20/15/170392015.db2.gz LZVLTVKPCCIDER-JTQLQIEISA-N 0 3 203.282 0.106 20 0 BCADHN CCOCCN(CC)C(=O)C(N)C(F)(F)F ZINC000353165612 170393671 /nfs/dbraw/zinc/39/36/71/170393671.db2.gz ICVBYWDQKPGPHT-SSDOTTSWSA-N 0 3 242.241 0.761 20 0 BCADHN CCOCCN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369040278 170398553 /nfs/dbraw/zinc/39/85/53/170398553.db2.gz IGLBOQAZKKFGGX-LLVKDONJSA-N 0 3 228.292 0.597 20 0 BCADHN Cc1cc(NC(=O)[C@@H](N)C2CCC2)nn1C ZINC000335653841 411624149 /nfs/dbraw/zinc/62/41/49/411624149.db2.gz MXZCAFZZUYNJSN-JTQLQIEISA-N 0 3 222.292 0.794 20 0 BCADHN COC[C@H](CN1C[C@@H]2C[C@H]1CS2)OC ZINC000660779672 411629072 /nfs/dbraw/zinc/62/90/72/411629072.db2.gz GSVIBXJVOOFIEN-GUBZILKMSA-N 0 3 217.334 0.838 20 0 BCADHN CC(=O)N(C)c1ccc(NC(=O)[C@@H](C)N)cc1 ZINC000133139013 411629260 /nfs/dbraw/zinc/62/92/60/411629260.db2.gz FPOAMLMNVXBVEC-MRVPVSSYSA-N 0 3 235.287 0.955 20 0 BCADHN CO[C@@H](CN[C@@H]1COC[C@@H]1OC)[C@@H]1CCOC1 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CC1(C(N)=O)CN([C@H]2COC(C)(C)C2)C1 ZINC000660897567 411663377 /nfs/dbraw/zinc/66/33/77/411663377.db2.gz BJNJNGKBLOXAHA-MRVPVSSYSA-N 0 3 212.293 0.361 20 0 BCADHN CCOc1cc(N(C)CCN(C)C)ncn1 ZINC000126187853 170524006 /nfs/dbraw/zinc/52/40/06/170524006.db2.gz AIYYMYVZRHBWLJ-UHFFFAOYSA-N 0 3 224.308 0.873 20 0 BCADHN O=C1C[C@@H](CN2CCOC[C@@H]2C2CCC2)CN1 ZINC000660901606 411666064 /nfs/dbraw/zinc/66/60/64/411666064.db2.gz FAGMMUYHTLYSFT-ZYHUDNBSSA-N 0 3 238.331 0.623 20 0 BCADHN CC(=O)NCCN(C)CCO[C@@H]1CC1(F)F ZINC000660905814 411667347 /nfs/dbraw/zinc/66/73/47/411667347.db2.gz YSYITPZHBUBTAQ-SECBINFHSA-N 0 3 236.262 0.479 20 0 BCADHN Cc1ccc(-c2cc(NC(=O)[C@@H](C)N)[nH]n2)o1 ZINC000335360520 411669831 /nfs/dbraw/zinc/66/98/31/411669831.db2.gz KGEVFHUQFWCXNF-SSDOTTSWSA-N 0 3 234.259 1.264 20 0 BCADHN CCCCC(=O)N1CCOC2(CNC2)C1 ZINC000663483961 411670095 /nfs/dbraw/zinc/67/00/95/411670095.db2.gz RXFPPTVLAQLKCY-UHFFFAOYSA-N 0 3 212.293 0.377 20 0 BCADHN CC1(C(=O)N2CCOC3(CNC3)C2)CCC1 ZINC000663488335 411671690 /nfs/dbraw/zinc/67/16/90/411671690.db2.gz SPDWISZFCXJGJH-UHFFFAOYSA-N 0 3 224.304 0.377 20 0 BCADHN C[C@H](CCO)N(C)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000660918343 411673103 /nfs/dbraw/zinc/67/31/03/411673103.db2.gz DBSQDEUPESACFQ-JHJVBQTASA-N 0 3 244.379 0.798 20 0 BCADHN O=C(C1CC2(CC2)C1)N1CCOC2(CNC2)C1 ZINC000663493263 411673207 /nfs/dbraw/zinc/67/32/07/411673207.db2.gz ZZNRWTHDIQMMPV-UHFFFAOYSA-N 0 3 236.315 0.377 20 0 BCADHN CCO[C@@H](CC)C(=O)N1CCOC2(CNC2)C1 ZINC000663494195 411673301 /nfs/dbraw/zinc/67/33/01/411673301.db2.gz ROVMFXRMGRGCJV-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN Cn1cnnc1N1CCN(CC2CC=CC2)CC1 ZINC000660924386 411674820 /nfs/dbraw/zinc/67/48/20/411674820.db2.gz MKOHAZWMTGRHDV-UHFFFAOYSA-N 0 3 247.346 0.903 20 0 BCADHN CCC(CC)CN[C@@]1(C(N)=O)CCOC1 ZINC000660926691 411677152 /nfs/dbraw/zinc/67/71/52/411677152.db2.gz QRZAIAXKYDWMTI-NSHDSACASA-N 0 3 214.309 0.657 20 0 BCADHN OCCCN1CCC[C@@H]1CNc1cccnn1 ZINC000564409313 411686887 /nfs/dbraw/zinc/68/68/87/411686887.db2.gz LPJHALBAMVZDMX-LLVKDONJSA-N 0 3 236.319 0.735 20 0 BCADHN CCn1nccc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000663505025 411688055 /nfs/dbraw/zinc/68/80/55/411688055.db2.gz GIDZBVLEHYWNAN-GHMZBOCLSA-N 0 3 226.299 0.774 20 0 BCADHN C[C@@H]1CN(CCN2CCC[C@H]2CO)C[C@H](C)O1 ZINC000314406912 411688827 /nfs/dbraw/zinc/68/88/27/411688827.db2.gz SFIMEEHSVYZACV-XQQFMLRXSA-N 0 3 242.363 0.552 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000663507317 411689094 /nfs/dbraw/zinc/68/90/94/411689094.db2.gz UGWLXQVGAKAYGR-NXEZZACHSA-N 0 3 212.272 0.589 20 0 BCADHN Cc1ccc(O)c(CN2CCOC3(CNC3)C2)n1 ZINC000663511189 411691574 /nfs/dbraw/zinc/69/15/74/411691574.db2.gz BHHVWQWVWQKPMF-UHFFFAOYSA-N 0 3 249.314 0.270 20 0 BCADHN Cc1ccc(NCCN2CC[C@H](O)C2)nn1 ZINC000624775171 411691871 /nfs/dbraw/zinc/69/18/71/411691871.db2.gz BIDITALDLRGZFV-JTQLQIEISA-N 0 3 222.292 0.264 20 0 BCADHN CCn1nccc1CN1CCOC2(CNC2)C1 ZINC000663512429 411695196 /nfs/dbraw/zinc/69/51/96/411695196.db2.gz LOQXRWAWWAYFCI-UHFFFAOYSA-N 0 3 236.319 0.077 20 0 BCADHN C[C@@H]1CN(CCN(C)Cc2cnc[nH]2)CCO1 ZINC000661087874 411699521 /nfs/dbraw/zinc/69/95/21/411699521.db2.gz CGWDNIDKQXRDKE-LLVKDONJSA-N 0 3 238.335 0.562 20 0 BCADHN CCN(C)C(=O)CCN(C)Cc1cnc[nH]1 ZINC000661087256 411700449 /nfs/dbraw/zinc/70/04/49/411700449.db2.gz HPGGGGPOCDNHAP-UHFFFAOYSA-N 0 3 224.308 0.710 20 0 BCADHN c1cc2c(ncnc2NC[C@H]2CSCCN2)[nH]1 ZINC000641688272 411702729 /nfs/dbraw/zinc/70/27/29/411702729.db2.gz XQYDZOOXBCPIMN-QMMMGPOBSA-N 0 3 249.343 1.075 20 0 BCADHN CCOCC[C@@H](O)CN(C)Cc1cnc[nH]1 ZINC000661091426 411702979 /nfs/dbraw/zinc/70/29/79/411702979.db2.gz YOVKUDPVANHCST-LLVKDONJSA-N 0 3 227.308 0.629 20 0 BCADHN Cc1cc(CO)cc(NCCc2nc[nH]n2)n1 ZINC000663712256 411730900 /nfs/dbraw/zinc/73/09/00/411730900.db2.gz MLRYDKOGTQMFLK-UHFFFAOYSA-N 0 3 233.275 0.655 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@@](C)(O)C2)C[C@H](C)O1 ZINC000314534789 411731349 /nfs/dbraw/zinc/73/13/49/411731349.db2.gz HVHABOXOYBBESF-FRRDWIJNSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@](C)(O)C2)C[C@@H](C)O1 ZINC000314534793 411731673 /nfs/dbraw/zinc/73/16/73/411731673.db2.gz HVHABOXOYBBESF-UPJWGTAASA-N 0 3 242.363 0.552 20 0 BCADHN Cc1cnc(NCCN2CC[C@@H](O)C2)nc1 ZINC000624682593 411738366 /nfs/dbraw/zinc/73/83/66/411738366.db2.gz SYQNHZBASPVJTD-SNVBAGLBSA-N 0 3 222.292 0.264 20 0 BCADHN Cc1cncnc1NC[C@@H]1CCCN1C ZINC000641311314 411742915 /nfs/dbraw/zinc/74/29/15/411742915.db2.gz WQXCZJSOKVGVKN-JTQLQIEISA-N 0 3 206.293 1.291 20 0 BCADHN CN(C)[C@H]1CN(C(=O)N[C@@H]2CC2(C)C)C[C@@H]1O ZINC000663772533 411743709 /nfs/dbraw/zinc/74/37/09/411743709.db2.gz AIEBQKPBKRCRKH-LPEHRKFASA-N 0 3 241.335 0.101 20 0 BCADHN CO[C@]1(CO)CCCN(CCOCC2CC2)C1 ZINC000661393647 411767172 /nfs/dbraw/zinc/76/71/72/411767172.db2.gz MYVUJBNDUSLXDG-CYBMUJFWSA-N 0 3 243.347 0.886 20 0 BCADHN Cc1nc(NC[C@H](C)N(C)C)nc(N(C)C)n1 ZINC000450818633 411769490 /nfs/dbraw/zinc/76/94/90/411769490.db2.gz ISICCKHBJURTHF-QMMMGPOBSA-N 0 3 238.339 0.608 20 0 BCADHN CCOc1cc(N[C@@H](CO)CN(C)C)ncn1 ZINC000663910109 411771581 /nfs/dbraw/zinc/77/15/81/411771581.db2.gz FUFHOHLZMZKTMC-SECBINFHSA-N 0 3 240.307 0.210 20 0 BCADHN CN(C)C[C@@H](CO)Nc1ncncc1Cl ZINC000663909710 411771728 /nfs/dbraw/zinc/77/17/28/411771728.db2.gz AOCFPFUVKJYZOV-ZETCQYMHSA-N 0 3 230.699 0.464 20 0 BCADHN CCN(C)C(=O)CN1CCCC[C@@H]1[C@@H](C)CO ZINC000661434640 411773924 /nfs/dbraw/zinc/77/39/24/411773924.db2.gz HQAZLWLLLFIJLM-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](CO)[C@H]1CCCCN1CC(=O)N1CCC1 ZINC000661434645 411774375 /nfs/dbraw/zinc/77/43/75/411774375.db2.gz HUDYSEPEWLEBAP-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN Cc1nc(NCCF)cc(NCCF)n1 ZINC000379948146 411774768 /nfs/dbraw/zinc/77/47/68/411774768.db2.gz RUFOXTRTRHDBCV-UHFFFAOYSA-N 0 3 216.235 1.548 20 0 BCADHN C[C@@H]1COC2(CCC2)CN1CC1(CO)COC1 ZINC000661465572 411782318 /nfs/dbraw/zinc/78/23/18/411782318.db2.gz MJWVSOOAMHSPNO-LLVKDONJSA-N 0 3 241.331 0.639 20 0 BCADHN C[C@H]1CCCN(CC(=O)N(C)C)[C@@H]1CCO ZINC000661488938 411786787 /nfs/dbraw/zinc/78/67/87/411786787.db2.gz ZBPUBTGSRPMQRI-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN OCCCN1CCC[C@H](Nc2cnccn2)C1 ZINC000663954762 411790444 /nfs/dbraw/zinc/79/04/44/411790444.db2.gz WIDWXRFWACRXOA-NSHDSACASA-N 0 3 236.319 0.735 20 0 BCADHN CCOc1nccnc1N[C@@H](C)CN(C)C ZINC000381386211 411719592 /nfs/dbraw/zinc/71/95/92/411719592.db2.gz MUCLCHLZLGODMD-VIFPVBQESA-N 0 3 224.308 1.237 20 0 BCADHN CCc1nc(CN[C@H](CO)C2CCC2)n[nH]1 ZINC000661151595 411721182 /nfs/dbraw/zinc/72/11/82/411721182.db2.gz DNJCBRDJPFHFFW-SECBINFHSA-N 0 3 224.308 0.618 20 0 BCADHN CC[C@@H](C)N(C)CCNc1ccc(=O)n(C)n1 ZINC000413110182 411722212 /nfs/dbraw/zinc/72/22/12/411722212.db2.gz HFUONKWGTUWIHK-SNVBAGLBSA-N 0 3 238.335 0.923 20 0 BCADHN CCN(CC)C(=O)CN[C@@H](CO)C1CCC1 ZINC000661159630 411723856 /nfs/dbraw/zinc/72/38/56/411723856.db2.gz WHEAGIXOIHTRIO-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@@H](CNC1(C(N)=O)CCOCC1)OC ZINC000661595724 411810190 /nfs/dbraw/zinc/81/01/90/411810190.db2.gz XLUFMRWSJFSVGZ-VIFPVBQESA-N 0 3 230.308 0.036 20 0 BCADHN NC(=O)C1(N[C@H]2C=CCCC2)CCOCC1 ZINC000661594001 411810395 /nfs/dbraw/zinc/81/03/95/411810395.db2.gz LOEDCIFSYWKZIU-JTQLQIEISA-N 0 3 224.304 0.719 20 0 BCADHN C[C@H]1CC[C@@H](CNC2(C(N)=O)CCOCC2)O1 ZINC000661595568 411810527 /nfs/dbraw/zinc/81/05/27/411810527.db2.gz SDYFRUZIWCZKDS-UWVGGRQHSA-N 0 3 242.319 0.178 20 0 BCADHN NC(=O)C1(NCC2=CCCC2)CCOCC1 ZINC000661594797 411810971 /nfs/dbraw/zinc/81/09/71/411810971.db2.gz CBHHJHLCISYCGE-UHFFFAOYSA-N 0 3 224.304 0.721 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661627257 411812315 /nfs/dbraw/zinc/81/23/15/411812315.db2.gz OYGRPCCZAJABFT-ZRUFSTJUSA-N 0 3 228.336 0.412 20 0 BCADHN COCCCN(C)C[C@H]1COCCO1 ZINC000661606994 411814321 /nfs/dbraw/zinc/81/43/21/411814321.db2.gz PLQBRHJGSSTYGQ-JTQLQIEISA-N 0 3 203.282 0.370 20 0 BCADHN CN(C[C@@H]1COCCO1)CC1(C)COC1 ZINC000661605733 411814770 /nfs/dbraw/zinc/81/47/70/411814770.db2.gz QOUSHXVJNLUJKB-SNVBAGLBSA-N 0 3 215.293 0.370 20 0 BCADHN C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H](C)C1O ZINC000661633686 411814816 /nfs/dbraw/zinc/81/48/16/411814816.db2.gz ZAJREYUUQULQDG-OPRDCNLKSA-N 0 3 226.320 0.166 20 0 BCADHN CN(CCC(C)(C)O)C[C@@H]1COCCO1 ZINC000661606037 411814889 /nfs/dbraw/zinc/81/48/89/411814889.db2.gz RDOUEHMDYWKNNK-SNVBAGLBSA-N 0 3 217.309 0.495 20 0 BCADHN C[C@@H](CCN1CCN(C)CC1)Nc1cccnn1 ZINC000570875583 411815128 /nfs/dbraw/zinc/81/51/28/411815128.db2.gz PGZSJXYKAJMOET-LBPRGKRZSA-N 0 3 249.362 0.915 20 0 BCADHN CN(C[C@H]1COCCO1)[C@H]1COC(C)(C)C1 ZINC000661613346 411815430 /nfs/dbraw/zinc/81/54/30/411815430.db2.gz IUJWDJTWEYCQRN-MNOVXSKESA-N 0 3 229.320 0.901 20 0 BCADHN CO[C@@H](CN(C)C[C@@H]1COCCO1)C1CC1 ZINC000661614339 411817749 /nfs/dbraw/zinc/81/77/49/411817749.db2.gz PHFIDXSBMZVYCT-NEPJUHHUSA-N 0 3 229.320 0.759 20 0 BCADHN C[C@@H](CN(C)C)Nc1ccc2c(n1)CCC2=O ZINC000562890754 411818307 /nfs/dbraw/zinc/81/83/07/411818307.db2.gz YXXXANYGPBGVCL-VIFPVBQESA-N 0 3 233.315 1.573 20 0 BCADHN CC[C@H](CN(C)C[C@H]1COCCO1)OC ZINC000661615133 411818345 /nfs/dbraw/zinc/81/83/45/411818345.db2.gz WULMDDOWXYIOST-MNOVXSKESA-N 0 3 217.309 0.759 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661627255 411823016 /nfs/dbraw/zinc/82/30/16/411823016.db2.gz OYGRPCCZAJABFT-OPRDCNLKSA-N 0 3 228.336 0.412 20 0 BCADHN Nc1cccc(CN2C[C@@H](O)[C@H](CO)C2)c1 ZINC000316564003 411824690 /nfs/dbraw/zinc/82/46/90/411824690.db2.gz TTYUFIOJBAFHFF-CMPLNLGQSA-N 0 3 222.288 0.054 20 0 BCADHN CN1CC[C@H](N2CCC[C@@](O)(C3CC3)C2)C1=O ZINC000661627649 411824872 /nfs/dbraw/zinc/82/48/72/411824872.db2.gz KWUHJLPLQMYKCG-AAEUAGOBSA-N 0 3 238.331 0.454 20 0 BCADHN C[C@@H]1CN(Cc2cncn2C)C[C@H](C)[C@H]1O ZINC000661631335 411825361 /nfs/dbraw/zinc/82/53/61/411825361.db2.gz OOYZVKDZICKNGJ-IAZYJMLFSA-N 0 3 223.320 0.869 20 0 BCADHN COC[C@H](CN(C)CC1=CCCOC1)OC ZINC000661652692 411827781 /nfs/dbraw/zinc/82/77/81/411827781.db2.gz NPOIFVSQKSNPHJ-LBPRGKRZSA-N 0 3 229.320 0.926 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)CC1=CCCOC1 ZINC000661652424 411828687 /nfs/dbraw/zinc/82/86/87/411828687.db2.gz LRIITQNQWKRWOZ-GFCCVEGCSA-N 0 3 227.304 0.605 20 0 BCADHN CN(CC1=CCCOC1)C[C@H]1COCCO1 ZINC000661654084 411830854 /nfs/dbraw/zinc/83/08/54/411830854.db2.gz WFNVRTDEUDSNER-LBPRGKRZSA-N 0 3 227.304 0.680 20 0 BCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1cnccn1 ZINC000664054065 411832315 /nfs/dbraw/zinc/83/23/15/411832315.db2.gz HACROKATSFKGTP-SNVBAGLBSA-N 0 3 249.318 0.033 20 0 BCADHN COC[C@H](C)N1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639821585 411867125 /nfs/dbraw/zinc/86/71/25/411867125.db2.gz WLKINNZFHYSGKD-DTWKUNHWSA-N 0 3 240.307 0.866 20 0 BCADHN C=CC(=O)NCCNc1cccc(N)n1 ZINC000584627318 411839341 /nfs/dbraw/zinc/83/93/41/411839341.db2.gz CMIWJBVDDCCNOC-UHFFFAOYSA-N 0 3 206.249 0.378 20 0 BCADHN CC(C)(CN1CCCC1)NCc1nccc(N)n1 ZINC000452096932 411867203 /nfs/dbraw/zinc/86/72/03/411867203.db2.gz OZPDPTZGRIZCJV-UHFFFAOYSA-N 0 3 249.362 1.023 20 0 BCADHN CN(C)C(=O)CN1C[C@@H]2COC[C@]2(C)C1 ZINC000661697887 411845167 /nfs/dbraw/zinc/84/51/67/411845167.db2.gz QNRDEDWMOMYKLT-KOLCDFICSA-N 0 3 212.293 0.043 20 0 BCADHN CN(CCCCO)Cc1cnc(N)s1 ZINC000336694632 411867430 /nfs/dbraw/zinc/86/74/30/411867430.db2.gz SAWZANSBFFHQPD-UHFFFAOYSA-N 0 3 215.322 0.930 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@@H]2COC[C@]2(C)C1 ZINC000661703484 411847579 /nfs/dbraw/zinc/84/75/79/411847579.db2.gz UEULPHDHQNXEJH-BREBYQMCSA-N 0 3 238.331 0.622 20 0 BCADHN CCCNC(=O)CN1C[C@H]2COC[C@@]2(C)C1 ZINC000661701178 411847833 /nfs/dbraw/zinc/84/78/33/411847833.db2.gz ZFCDZHLHFCHJQX-CMPLNLGQSA-N 0 3 226.320 0.481 20 0 BCADHN O[C@]12C[C@H]1CN(CCOC[C@@H]1CCCO1)CC2 ZINC000661717269 411854977 /nfs/dbraw/zinc/85/49/77/411854977.db2.gz ROQWNQMJTMMHTL-RWMBFGLXSA-N 0 3 241.331 0.639 20 0 BCADHN COCCOCCN1CC[C@@]2(O)C[C@H]2C1 ZINC000661717292 411855311 /nfs/dbraw/zinc/85/53/11/411855311.db2.gz SISMRLVAOBTZSP-WDEREUQCSA-N 0 3 215.293 0.106 20 0 BCADHN O=c1ccccn1CCN1CC[C@@]2(O)C[C@H]2C1 ZINC000661716481 411855445 /nfs/dbraw/zinc/85/54/45/411855445.db2.gz SORRUJNOJKOVMG-WCQYABFASA-N 0 3 234.299 0.305 20 0 BCADHN O[C@H](CN1CC[C@@]2(O)C[C@H]2C1)CC(F)(F)F ZINC000661720144 411857677 /nfs/dbraw/zinc/85/76/77/411857677.db2.gz CYINGZVHFQWKJW-XHNCKOQMSA-N 0 3 239.237 0.756 20 0 BCADHN COC[C@@H](CN1CC[C@@]2(O)C[C@H]2C1)OC ZINC000661721104 411858562 /nfs/dbraw/zinc/85/85/62/411858562.db2.gz OKKHOZWSTYRCKQ-HBNTYKKESA-N 0 3 215.293 0.105 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@@]3(O)C[C@H]3C2)CCO1 ZINC000661723616 411860140 /nfs/dbraw/zinc/86/01/40/411860140.db2.gz QORDTIFCEYSDQY-FRRDWIJNSA-N 0 3 240.347 0.164 20 0 BCADHN Cn1[nH]cnc1=NC[C@H]1CCN1C(C)(C)C ZINC000664139415 411861677 /nfs/dbraw/zinc/86/16/77/411861677.db2.gz VSGYIKOLPYFITG-SECBINFHSA-N 0 3 223.324 0.522 20 0 BCADHN CC(C)CC[C@@H](O)CN1CCC(=O)N(C)CC1 ZINC000661805542 411886147 /nfs/dbraw/zinc/88/61/47/411886147.db2.gz LNGFPOGPXLKOTE-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H]1CC[C@@H](CN2CCC(=O)N(C)CC2)O1 ZINC000661807261 411888396 /nfs/dbraw/zinc/88/83/96/411888396.db2.gz SXDDCCUVXRDVOY-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCCCN1)c1nccc(N)n1 ZINC000638858307 411888858 /nfs/dbraw/zinc/88/88/58/411888858.db2.gz NGSACEPHXQCJHP-BDAKNGLRSA-N 0 3 249.318 0.378 20 0 BCADHN COCCCN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662010607 411942006 /nfs/dbraw/zinc/94/20/06/411942006.db2.gz GDHWFZVSKGIWCQ-NSHDSACASA-N 0 3 243.351 0.711 20 0 BCADHN CN1CCN(C[C@@H]2CCCOC2)CCC1=O ZINC000661811647 411891457 /nfs/dbraw/zinc/89/14/57/411891457.db2.gz RNCLZAPCBKWYEF-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN CCN1CC[C@H](N[C@@H]2C[C@H](O)C23CCC3)C1=O ZINC000661825334 411892408 /nfs/dbraw/zinc/89/24/08/411892408.db2.gz FTGSKBCYMDGBIQ-AXFHLTTASA-N 0 3 238.331 0.500 20 0 BCADHN CC(=O)[C@](C)(O)CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000661826387 411892485 /nfs/dbraw/zinc/89/24/85/411892485.db2.gz IOYBMJGHFALTBU-GMTAPVOTSA-N 0 3 227.304 0.220 20 0 BCADHN CCCNC(=O)CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000661824149 411892614 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BCADHN CC(C)NC(=O)CN1CC[C@H]2COC[C@H]2C1 ZINC000662041349 411957374 /nfs/dbraw/zinc/95/73/74/411957374.db2.gz KBGDUKHNNHCPLA-WDEREUQCSA-N 0 3 226.320 0.479 20 0 BCADHN OCCN(C[C@H]1CNCCO1)c1ccccc1 ZINC000662248712 412046124 /nfs/dbraw/zinc/04/61/24/412046124.db2.gz BMWLCTQWOKJJIW-CYBMUJFWSA-N 0 3 236.315 0.474 20 0 BCADHN CC[C@@H]1CCCN1S(=O)(=O)N1CCNCC1 ZINC000037914281 170983474 /nfs/dbraw/zinc/98/34/74/170983474.db2.gz OMMJULKVIPCKEP-SNVBAGLBSA-N 0 3 247.364 0.011 20 0 BCADHN CC(C)C[C@@H]1COCCN1C[C@H]1CNCCO1 ZINC000662254253 412048264 /nfs/dbraw/zinc/04/82/64/412048264.db2.gz GLLGMJQATZZZSB-CHWSQXEVSA-N 0 3 242.363 0.722 20 0 BCADHN CCCCN(CCOC)C[C@H]1CNCCO1 ZINC000662254935 412048698 /nfs/dbraw/zinc/04/86/98/412048698.db2.gz MXMIHXGEIYKWMP-GFCCVEGCSA-N 0 3 230.352 0.723 20 0 BCADHN CN(CCc1cn[nH]n1)CC1=CCSC1 ZINC000662266940 412058151 /nfs/dbraw/zinc/05/81/51/412058151.db2.gz OILRNDHZPOTNEE-UHFFFAOYSA-N 0 3 224.333 0.952 20 0 BCADHN CC[C@@H]1CC[C@@H]1N[C@H]1CCS(=O)(=O)C1 ZINC000307712228 171044843 /nfs/dbraw/zinc/04/48/43/171044843.db2.gz WIXVDLOHRXERED-UTLUCORTSA-N 0 3 217.334 0.952 20 0 BCADHN CCOC[C@@H](O)CN(C)CC1=CCSC1 ZINC000662269030 412060517 /nfs/dbraw/zinc/06/05/17/412060517.db2.gz UWYKPBOXGARCFG-NSHDSACASA-N 0 3 231.361 0.989 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@]2(F)CCNC2)C[C@@H](C)O1 ZINC000366323150 171069915 /nfs/dbraw/zinc/06/99/15/171069915.db2.gz OTYJHNHWKYFWCH-FOGDFJRCSA-N 0 3 244.310 0.714 20 0 BCADHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CCO ZINC000340864519 171074882 /nfs/dbraw/zinc/07/48/82/171074882.db2.gz PULVIAMBYLJFPA-VXGBXAGGSA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@@H]1CN(CCCC(=O)OC)C[C@H]1O ZINC000341005457 171078542 /nfs/dbraw/zinc/07/85/42/171078542.db2.gz FIIBNWCKOJROCU-NXEZZACHSA-N 0 3 215.293 0.642 20 0 BCADHN CC[C@@H]1CN(CCN2CCCOCC2)C[C@H]1O ZINC000361349195 171080799 /nfs/dbraw/zinc/08/07/99/171080799.db2.gz SIXWFGKDACGBHD-CHWSQXEVSA-N 0 3 242.363 0.411 20 0 BCADHN CC[C@@H]1CN(CCN2CCO[C@H](C)C2)C[C@@H]1O ZINC000337318924 171081075 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/nfs/dbraw/zinc/06/81/22/412068122.db2.gz GPOOONSPEXRWIY-ZJUUUORDSA-N 0 3 228.336 0.733 20 0 BCADHN CC(C)(CCN1C[C@H](O)C[C@H]1C(N)=O)C1CC1 ZINC000665048485 412068838 /nfs/dbraw/zinc/06/88/38/412068838.db2.gz KNIRXBJQNGQXOH-MNOVXSKESA-N 0 3 240.347 0.733 20 0 BCADHN NC(=O)[C@@H]1C[C@@H](O)CN1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000665048141 412069304 /nfs/dbraw/zinc/06/93/04/412069304.db2.gz JBCBSWOVHICJDG-ROHXPCBUSA-N 0 3 238.331 0.343 20 0 BCADHN CC[C@@](C)(CCO)NC(=O)N[C@@H](C)CN(C)C ZINC000358531517 171165299 /nfs/dbraw/zinc/16/52/99/171165299.db2.gz SRZVXDHXPRSCJY-JQWIXIFHSA-N 0 3 245.367 0.787 20 0 BCADHN C([C@@H]1CNCCO1)N1CCOC[C@@H]1C1CC1 ZINC000662280054 412071259 /nfs/dbraw/zinc/07/12/59/412071259.db2.gz XOIKGCUODFNNFR-NWDGAFQWSA-N 0 3 226.320 0.086 20 0 BCADHN C([C@@H]1CNCCO1)N1CCOC[C@H]1C1CC1 ZINC000662280056 412071281 /nfs/dbraw/zinc/07/12/81/412071281.db2.gz XOIKGCUODFNNFR-RYUDHWBXSA-N 0 3 226.320 0.086 20 0 BCADHN CC[C@@](C)(O)CNCc1c(C)nn(C)c1OC ZINC000111384906 171183517 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171226132 /nfs/dbraw/zinc/22/61/32/171226132.db2.gz JXEIUSGZKQJMJR-DGCLKSJQSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](O)C2(CC2)C1)N(C)C ZINC000334309682 171226194 /nfs/dbraw/zinc/22/61/94/171226194.db2.gz MVZJEAOCVJZQHJ-NXEZZACHSA-N 0 3 226.320 0.310 20 0 BCADHN CC[C@H](C(=O)NCCn1cccc1)N(C)C ZINC000125364010 171227854 /nfs/dbraw/zinc/22/78/54/171227854.db2.gz UHCHRQUSFXXEHQ-LLVKDONJSA-N 0 3 223.320 0.945 20 0 BCADHN CC[C@H](C(=O)NCCN(C)C1CC1)C(=O)OC ZINC000338765704 171228007 /nfs/dbraw/zinc/22/80/07/171228007.db2.gz GIVSYRWZEPSXSW-SNVBAGLBSA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@H](C(=O)NC[C@@]1(O)CCC[C@H]1C)N(C)C ZINC000359826624 171229196 /nfs/dbraw/zinc/22/91/96/171229196.db2.gz BSTNNIBXNKYUTJ-WZRBSPASSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)NC[C@H](CO)C1CC1)N(C)C ZINC000359777574 171229411 /nfs/dbraw/zinc/22/94/11/171229411.db2.gz ISTNCACZFZJLHF-GHMZBOCLSA-N 0 3 228.336 0.461 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1CCC[C@@H]1O)N(C)C ZINC000305065392 171229990 /nfs/dbraw/zinc/22/99/90/171229990.db2.gz IIPHDVCHWPTFCT-MXWKQRLJSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)CN(C)C)N(C)C ZINC000346134268 171232289 /nfs/dbraw/zinc/23/22/89/171232289.db2.gz BZYRBRXOTBXKEW-VHSXEESVSA-N 0 3 215.341 0.393 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)CN(C)C)C(=O)OC ZINC000346135907 171232607 /nfs/dbraw/zinc/23/26/07/171232607.db2.gz KYZQMCSLPDQSOZ-RKDXNWHRSA-N 0 3 230.308 0.252 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)[C@H](C)CO)N(C)C ZINC000245635522 171232986 /nfs/dbraw/zinc/23/29/86/171232986.db2.gz GIJIGMAHJYJIJU-OPRDCNLKSA-N 0 3 216.325 0.460 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)[C@@H](C)CO)N(C)C ZINC000132428144 171233392 /nfs/dbraw/zinc/23/33/92/171233392.db2.gz GIJIGMAHJYJIJU-IVZWLZJFSA-N 0 3 216.325 0.460 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCC[C@]1(C)CO)N(C)C ZINC000331354926 171233589 /nfs/dbraw/zinc/23/35/89/171233589.db2.gz PZBDQRZSKSMIOQ-NTZNESFSSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCC[C@@H]1CCO)N(C)C ZINC000187859681 171233885 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/nfs/dbraw/zinc/31/91/90/171319190.db2.gz NGNSGELRJZTINS-VHSXEESVSA-N 0 3 213.325 0.276 20 0 BCADHN CC[C@H](C)NC(=O)CCNC(=O)CNC1CC1 ZINC000038014994 171322291 /nfs/dbraw/zinc/32/22/91/171322291.db2.gz XIZNMHBSVHDMAD-VIFPVBQESA-N 0 3 241.335 0.159 20 0 BCADHN CC[C@H](C)NC(=O)CCNCc1cncnc1 ZINC000054768020 171322390 /nfs/dbraw/zinc/32/23/90/171322390.db2.gz JBMDHHQWJLWYOY-JTQLQIEISA-N 0 3 236.319 0.871 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@](C)(CO)C(C)C ZINC000336730016 171326226 /nfs/dbraw/zinc/32/62/26/171326226.db2.gz IALFUGASXQEPHV-CMPLNLGQSA-N 0 3 230.352 0.898 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N1CCNCC1 ZINC000019976896 171330893 /nfs/dbraw/zinc/33/08/93/171330893.db2.gz AJMWCUYKBVWZHZ-VHSXEESVSA-N 0 3 213.325 0.195 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N1C[C@H](O)[C@@H](CC)C1 ZINC000341029174 171334459 /nfs/dbraw/zinc/33/44/59/171334459.db2.gz NYKBDEHFLSMHPM-BJDJZHNGSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N1C[C@H](O)[C@H](CC)C1 ZINC000341029182 171334741 /nfs/dbraw/zinc/33/47/41/171334741.db2.gz NYKBDEHFLSMHPM-YFKTTZPYSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@H](C)OCC(=O)N[C@@H](C)CN(C)C ZINC000346143133 171353944 /nfs/dbraw/zinc/35/39/44/171353944.db2.gz SPIIPFVXRZYXDQ-UWVGGRQHSA-N 0 3 216.325 0.868 20 0 BCADHN CC[C@H](C)OCC(=O)N[C@H](C)CN(C)C ZINC000346143137 171354386 /nfs/dbraw/zinc/35/43/86/171354386.db2.gz SPIIPFVXRZYXDQ-ZJUUUORDSA-N 0 3 216.325 0.868 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@@H](C)C1 ZINC000371568239 171369603 /nfs/dbraw/zinc/36/96/03/171369603.db2.gz HQARYGHNKZCGJL-GARJFASQSA-N 0 3 228.336 0.855 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCC([C@@H](C)O)CC1 ZINC000226333012 171370160 /nfs/dbraw/zinc/37/01/60/171370160.db2.gz DZRAFKBLRXCZDS-HOSYDEDBSA-N 0 3 242.363 0.979 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)c1nc(C)no1 ZINC000353563187 171370587 /nfs/dbraw/zinc/37/05/87/171370587.db2.gz NELOJDFHRKKIJK-ACLDMZEESA-N 0 3 240.307 0.929 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCN(C)CCOC ZINC000061380596 171370598 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/nfs/dbraw/zinc/09/92/92/412099292.db2.gz VAZGQPVGIPKWGY-UHFFFAOYSA-N 0 3 224.308 0.296 20 0 BCADHN CN(C)CCNC(=O)Cn1cc(C2CC2)cn1 ZINC000665112718 412099614 /nfs/dbraw/zinc/09/96/14/412099614.db2.gz USBRXLGZZHAZGB-UHFFFAOYSA-N 0 3 236.319 0.438 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H](F)[C@H](N)C1 ZINC000662320157 412100803 /nfs/dbraw/zinc/10/08/03/412100803.db2.gz FQPCVAGNAYUKKU-IVZWLZJFSA-N 0 3 245.342 0.661 20 0 BCADHN Cc1cc(CN2CC[C@@H](F)[C@H](N)C2)on1 ZINC000662322463 412101114 /nfs/dbraw/zinc/10/11/14/412101114.db2.gz HWLQJOWARJXMDR-NXEZZACHSA-N 0 3 213.256 0.854 20 0 BCADHN CC(C)N1CC[C@@H](N2CC[C@@H](F)[C@H](N)C2)C1=O ZINC000662325880 412102404 /nfs/dbraw/zinc/10/24/04/412102404.db2.gz RXMPZFXNZMLYOA-GMTAPVOTSA-N 0 3 243.326 0.367 20 0 BCADHN CC[C@@H](C(N)=O)N(C)[C@H](CN)C(F)(F)F ZINC000662333058 412105793 /nfs/dbraw/zinc/10/57/93/412105793.db2.gz SUXLANPKQCTMON-NTSWFWBYSA-N 0 3 227.230 0.072 20 0 BCADHN COC[C@H](OC)C(=O)Nc1cccc(CN)c1 ZINC000662393415 412143437 /nfs/dbraw/zinc/14/34/37/412143437.db2.gz SPPDELFEVZRXBB-NSHDSACASA-N 0 3 238.287 0.745 20 0 BCADHN CC[C@H](NC)C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000662362885 412123624 /nfs/dbraw/zinc/12/36/24/412123624.db2.gz HZMYXZANTJFZBD-WDEREUQCSA-N 0 3 249.314 0.327 20 0 BCADHN CC(C)NCC(=O)NCc1cn2ccccc2n1 ZINC000662358186 412123949 /nfs/dbraw/zinc/12/39/49/412123949.db2.gz KPOHQOBAXKJFLG-UHFFFAOYSA-N 0 3 246.314 0.949 20 0 BCADHN CC(C)NCC(=O)NCCOC[C@H]1CCOC1 ZINC000662451959 412177026 /nfs/dbraw/zinc/17/70/26/412177026.db2.gz FRYVVDQSZQJMLL-NSHDSACASA-N 0 3 244.335 0.154 20 0 BCADHN C[C@@H]1CN(C(=O)C2(NC3CC3)CCC2)CCO1 ZINC000662457886 412181424 /nfs/dbraw/zinc/18/14/24/412181424.db2.gz DOAYVKFAKMRSPQ-SNVBAGLBSA-N 0 3 238.331 0.908 20 0 BCADHN CC[C@@H](C)NC(=O)CCNC(=O)[C@@H](N)CC ZINC000038014989 171478997 /nfs/dbraw/zinc/47/89/97/171478997.db2.gz AWKTUVFBKSULMC-BDAKNGLRSA-N 0 3 229.324 0.145 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)c1cnn(C)c1C ZINC000037001475 171481204 /nfs/dbraw/zinc/48/12/04/171481204.db2.gz CYSKXFFPSKZSHG-XVKPBYJWSA-N 0 3 224.308 0.643 20 0 BCADHN CC[C@@H](NC)C(=O)N1CCCC[C@@H]1C(=O)NC ZINC000662489478 412193168 /nfs/dbraw/zinc/19/31/68/412193168.db2.gz RRMDYAXIMRDPDM-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000662496068 412195156 /nfs/dbraw/zinc/19/51/56/412195156.db2.gz WDBNZGAKYBXYPB-NHCYSSNCSA-N 0 3 228.336 0.652 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1nnc2cc(C)ccn21 ZINC000662496599 412195835 /nfs/dbraw/zinc/19/58/35/412195835.db2.gz NAAFKMNOZPFXRI-SECBINFHSA-N 0 3 247.302 0.974 20 0 BCADHN CC[C@@H]([NH2+]C)C(=O)[N-]c1nnc2cc(C)ccn21 ZINC000662496599 412195836 /nfs/dbraw/zinc/19/58/36/412195836.db2.gz NAAFKMNOZPFXRI-SECBINFHSA-N 0 3 247.302 0.974 20 0 BCADHN CC(C)NCC(=O)NCc1ccc(F)cn1 ZINC000662502049 412196338 /nfs/dbraw/zinc/19/63/38/412196338.db2.gz HEYSRJQESJGUKS-UHFFFAOYSA-N 0 3 225.267 0.835 20 0 BCADHN CN[C@@H](C)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000662498870 412196620 /nfs/dbraw/zinc/19/66/20/412196620.db2.gz UNJQBKCEBKEGCS-GARJFASQSA-N 0 3 242.319 0.001 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc(Cl)c(=O)n(C)c1 ZINC000662503517 412197901 /nfs/dbraw/zinc/19/79/01/412197901.db2.gz VOOCOOOONIUAJL-LURJTMIESA-N 0 3 243.694 0.585 20 0 BCADHN CC[C@H](NC)C(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000662504933 412198270 /nfs/dbraw/zinc/19/82/70/412198270.db2.gz NKZBICVRWVSBOT-JTQLQIEISA-N 0 3 237.303 0.630 20 0 BCADHN CC[C@H](NC)C(=O)Nc1cc(C)n(C)n1 ZINC000662506737 412199144 /nfs/dbraw/zinc/19/91/44/412199144.db2.gz DVRFPWPMGGEOPJ-QMMMGPOBSA-N 0 3 210.281 0.665 20 0 BCADHN CCc1ncc(NC(=O)[C@H](CC)NC)cn1 ZINC000662505462 412199533 /nfs/dbraw/zinc/19/95/33/412199533.db2.gz LKONNIGLWJABMF-VIFPVBQESA-N 0 3 222.292 0.976 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1ncccc1N ZINC000132690761 412199544 /nfs/dbraw/zinc/19/95/44/412199544.db2.gz DLARFMDHYDHWDO-UHFFFAOYSA-N 0 3 248.330 0.832 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H]1CCC[C@H]1OC ZINC000662511385 412200850 /nfs/dbraw/zinc/20/08/50/412200850.db2.gz JMIAWTMTXVPCTI-IVZWLZJFSA-N 0 3 214.309 0.526 20 0 BCADHN CC(C)NCC(=O)N1CCO[C@@H](C(C)C)C1 ZINC000662516142 412201461 /nfs/dbraw/zinc/20/14/61/412201461.db2.gz ZUZWYCBFKNCDNB-LLVKDONJSA-N 0 3 228.336 0.868 20 0 BCADHN Cc1nc(CN(C)C(=O)CNC(C)C)no1 ZINC000662543187 412209573 /nfs/dbraw/zinc/20/95/73/412209573.db2.gz TWIQWIALOILDAV-UHFFFAOYSA-N 0 3 226.280 0.334 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1nc2cccnc2n1C ZINC000662541259 412209937 /nfs/dbraw/zinc/20/99/37/412209937.db2.gz GBPCHCKVZHOCMU-MRVPVSSYSA-N 0 3 247.302 0.905 20 0 BCADHN CC(C)NCC(=O)Nc1nc2cccnc2n1C ZINC000662541654 412210285 /nfs/dbraw/zinc/21/02/85/412210285.db2.gz JVCBYECCEUIMIZ-UHFFFAOYSA-N 0 3 247.302 0.905 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1nc(COC)ns1 ZINC000662549939 412212757 /nfs/dbraw/zinc/21/27/57/412212757.db2.gz YGBDFYGTGXXXSM-ZCFIWIBFSA-N 0 3 244.320 0.621 20 0 BCADHN COCCNCCNC(=O)C1CC2(CC2)C1 ZINC000662551317 412213328 /nfs/dbraw/zinc/21/33/28/412213328.db2.gz NQOFOVUGXBLUNQ-UHFFFAOYSA-N 0 3 226.320 0.529 20 0 BCADHN NC1(C(=O)N2CCNCC2)CC2(CCC2)C1 ZINC000662393888 412144830 /nfs/dbraw/zinc/14/48/30/412144830.db2.gz XJHUVELRWXTNIR-UHFFFAOYSA-N 0 3 223.320 0.080 20 0 BCADHN Cc1ccncc1CC(=O)N1CCCNCC1 ZINC000662396132 412146427 /nfs/dbraw/zinc/14/64/27/412146427.db2.gz QBSHZTFPSYITPU-UHFFFAOYSA-N 0 3 233.315 0.754 20 0 BCADHN CN(C)C1(CNc2ncnc3[nH]ccc32)CC1 ZINC000419011711 412152493 /nfs/dbraw/zinc/15/24/93/412152493.db2.gz SZJQVFUWESSKDB-UHFFFAOYSA-N 0 3 231.303 1.464 20 0 BCADHN CN(C)C1(CNc2cc(C#N)cnn2)CC1 ZINC000397911168 412152517 /nfs/dbraw/zinc/15/25/17/412152517.db2.gz YJEBECBUKLFJFJ-UHFFFAOYSA-N 0 3 217.276 0.854 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)Nc2cccnn2)CCN1C ZINC000358496602 412158395 /nfs/dbraw/zinc/15/83/95/412158395.db2.gz QHKPNXGNEOKRDN-NXEZZACHSA-N 0 3 249.318 1.081 20 0 BCADHN CN(C)CCNc1ccc2c(n1)CCC2=O ZINC000393740781 412161384 /nfs/dbraw/zinc/16/13/84/412161384.db2.gz DSZUTJQMZJJCBF-UHFFFAOYSA-N 0 3 219.288 1.184 20 0 BCADHN C[C@@H]1C[C@H]1c1cc(NC(=O)[C@H]2CCN(C)C2)n[nH]1 ZINC000591450865 412161470 /nfs/dbraw/zinc/16/14/70/412161470.db2.gz YHUOZDCYEQRVNB-KXUCPTDWSA-N 0 3 248.330 1.423 20 0 BCADHN C[C@@H]1C[C@H]1c1cc(NC(=O)CNCC2CC2)n[nH]1 ZINC000576276359 412162106 /nfs/dbraw/zinc/16/21/06/412162106.db2.gz HSWCRKMNTVSMAN-PSASIEDQSA-N 0 3 248.330 1.471 20 0 BCADHN CN(C)CCNc1ccc(-c2ccnn2C)nn1 ZINC000641251632 412162324 /nfs/dbraw/zinc/16/23/24/412162324.db2.gz AVMOAOSPKZTLMB-UHFFFAOYSA-N 0 3 246.318 0.851 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2ncccc2N)C1 ZINC000132639227 412162410 /nfs/dbraw/zinc/16/24/10/412162410.db2.gz WVLCDHHFDDMYCT-JTQLQIEISA-N 0 3 248.330 0.735 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)Nc2cccnn2)CCCN1C ZINC000345276288 412168058 /nfs/dbraw/zinc/16/80/58/412168058.db2.gz UUXODRBONZKBMS-ZJUUUORDSA-N 0 3 249.318 1.081 20 0 BCADHN C[C@@H]1[C@H](Nc2ccc(=O)n(C)n2)CCCN1C ZINC000413236141 412168205 /nfs/dbraw/zinc/16/82/05/412168205.db2.gz GMSOUZCHAJDHSG-NXEZZACHSA-N 0 3 236.319 0.675 20 0 BCADHN O=C(NC[C@@H]1CCCO1)C1(NC2CC2)CCC1 ZINC000662432910 412169936 /nfs/dbraw/zinc/16/99/36/412169936.db2.gz YINIZYWAISSUBA-NSHDSACASA-N 0 3 238.331 0.956 20 0 BCADHN COC[C@@H](C)NC(=O)C1(NC2CC2)CCC1 ZINC000662436531 412173015 /nfs/dbraw/zinc/17/30/15/412173015.db2.gz DHCOPTJVHDWXCJ-SECBINFHSA-N 0 3 226.320 0.812 20 0 BCADHN CN1CC[C@@H](C(=O)Nc2cc(C3CC3)[nH]n2)C1 ZINC000591445160 412255676 /nfs/dbraw/zinc/25/56/76/412255676.db2.gz LPKILELXAPJGLW-SECBINFHSA-N 0 3 234.303 1.177 20 0 BCADHN NC1(C(=O)NCCc2ccoc2)CCC1 ZINC000662664394 412263913 /nfs/dbraw/zinc/26/39/13/412263913.db2.gz WWXRBVLMGJBXSC-UHFFFAOYSA-N 0 3 208.261 0.820 20 0 BCADHN C[C@@H]1CCC[C@H](CNC(=O)C2(N)CCC2)O1 ZINC000662667308 412266075 /nfs/dbraw/zinc/26/60/75/412266075.db2.gz VQDGYLZLILQGNP-NXEZZACHSA-N 0 3 226.320 0.942 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1cccnn1 ZINC000390442082 412266812 /nfs/dbraw/zinc/26/68/12/412266812.db2.gz VUJONSGXWUQJQI-ONGXEEELSA-N 0 3 218.304 1.371 20 0 BCADHN CC(C)CCc1cc(NC(=O)[C@@H](C)N)n[nH]1 ZINC000564943133 412267251 /nfs/dbraw/zinc/26/72/51/412267251.db2.gz XIDHAVVEAFCSHJ-MRVPVSSYSA-N 0 3 224.308 1.284 20 0 BCADHN C[C@H]1C[C@H](Nc2cc(C#N)cnn2)CCN1C ZINC000396919212 412269978 /nfs/dbraw/zinc/26/99/78/412269978.db2.gz XEYBHEMKKWWZBP-GXSJLCMTSA-N 0 3 231.303 1.243 20 0 BCADHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCCCO ZINC000665368398 412288888 /nfs/dbraw/zinc/28/88/88/412288888.db2.gz PTQQPGDGVZKXEG-SNVBAGLBSA-N 0 3 243.351 0.541 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)Cc1cn(C)nn1 ZINC000662689928 412272125 /nfs/dbraw/zinc/27/21/25/412272125.db2.gz WALGDMQQYWRAJB-LLVKDONJSA-N 0 3 239.323 0.291 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccnn1C(C)(C)C ZINC000662737761 412289120 /nfs/dbraw/zinc/28/91/20/412289120.db2.gz RFHBYUDKZVPXHW-SSDOTTSWSA-N 0 3 210.281 0.924 20 0 BCADHN CC1(C)C[C@@]1(C)NC(=O)C[C@H]1CNCCO1 ZINC000662708390 412278930 /nfs/dbraw/zinc/27/89/30/412278930.db2.gz WCXXJNNPBWNNLC-JOYOIKCWSA-N 0 3 226.320 0.670 20 0 BCADHN CC(C)NCC(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662713845 412279969 /nfs/dbraw/zinc/27/99/69/412279969.db2.gz ZLUJWTBOQHZVDK-MNOVXSKESA-N 0 3 226.320 0.479 20 0 BCADHN CC1(C)CN(C(=O)CCCF)CCN1 ZINC000662573283 412225304 /nfs/dbraw/zinc/22/53/04/412225304.db2.gz SCBBIHPJEDUJHC-UHFFFAOYSA-N 0 3 202.273 0.947 20 0 BCADHN CN(C(=O)C1(NC2CC2)CCC1)[C@H]1CCOC1 ZINC000662577952 412227407 /nfs/dbraw/zinc/22/74/07/412227407.db2.gz IRCOBHURFDDXHD-NSHDSACASA-N 0 3 238.331 0.908 20 0 BCADHN CN(C(=O)C1(NC2CC2)CCC1)[C@@H]1CCOC1 ZINC000662577951 412227822 /nfs/dbraw/zinc/22/78/22/412227822.db2.gz IRCOBHURFDDXHD-LLVKDONJSA-N 0 3 238.331 0.908 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1c[nH]cn1 ZINC000662584532 412228681 /nfs/dbraw/zinc/22/86/81/412228681.db2.gz CMDXHGSYYYPWMX-SCZZXKLOSA-N 0 3 224.308 0.742 20 0 BCADHN Cc1noc(CN(C)C(=O)CNC(C)C)n1 ZINC000662586170 412230195 /nfs/dbraw/zinc/23/01/95/412230195.db2.gz PPOLZTAQYDWOEL-UHFFFAOYSA-N 0 3 226.280 0.334 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)Cc1c[nH]cn1 ZINC000662585516 412230398 /nfs/dbraw/zinc/23/03/98/412230398.db2.gz JPQUNYAKMCISOP-JTQLQIEISA-N 0 3 224.308 0.742 20 0 BCADHN CN[C@H](CC(C)(C)C)C(=O)N[C@H]1CCNC1=O ZINC000662585591 412231278 /nfs/dbraw/zinc/23/12/78/412231278.db2.gz AHBHRWJZTYIPRP-DTWKUNHWSA-N 0 3 241.335 0.015 20 0 BCADHN CCC[C@@H](O)CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662593733 412233645 /nfs/dbraw/zinc/23/36/45/412233645.db2.gz DUKVVLHVCIRWKB-SNVBAGLBSA-N 0 3 240.347 0.925 20 0 BCADHN COC1CC(CCNC(=O)C2(N)CCC2)C1 ZINC000662601634 412235138 /nfs/dbraw/zinc/23/51/38/412235138.db2.gz MXQJIYUWBJCVTL-UHFFFAOYSA-N 0 3 226.320 0.799 20 0 BCADHN CCOC[C@H](C)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665290679 412237150 /nfs/dbraw/zinc/23/71/50/412237150.db2.gz GVFNYMVPONQFMM-QMMMGPOBSA-N 0 3 240.307 0.156 20 0 BCADHN CNCC(=O)Nc1cc(CC2CC2)[nH]n1 ZINC000634308051 412289703 /nfs/dbraw/zinc/28/97/03/412289703.db2.gz HVMLNSWHBOFGQU-UHFFFAOYSA-N 0 3 208.265 0.520 20 0 BCADHN CCOC[C@@H](C)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665290678 412238158 /nfs/dbraw/zinc/23/81/58/412238158.db2.gz GVFNYMVPONQFMM-MRVPVSSYSA-N 0 3 240.307 0.156 20 0 BCADHN C[C@H](CNC(=O)[C@H](C)N)c1ccccn1 ZINC000662607013 412238409 /nfs/dbraw/zinc/23/84/09/412238409.db2.gz ZLVDJQHOODFZCH-BDAKNGLRSA-N 0 3 207.277 0.649 20 0 BCADHN CN(CC(C)(C)[NH3+])C(=O)c1ccc2n[n-]nc2c1 ZINC000662611788 412240511 /nfs/dbraw/zinc/24/05/11/412240511.db2.gz PIBRWEHGMHMZGA-UHFFFAOYSA-N 0 3 247.302 0.767 20 0 BCADHN CO[C@H]1CCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662612103 412242330 /nfs/dbraw/zinc/24/23/30/412242330.db2.gz LIBIPVDYQGKXNI-JTQLQIEISA-N 0 3 238.331 0.895 20 0 BCADHN CO[C@H](CNC(=O)[C@H](N)C(C)C)[C@@H]1CCOC1 ZINC000662616549 412243611 /nfs/dbraw/zinc/24/36/11/412243611.db2.gz LRFSTUKAVFUUJM-GMTAPVOTSA-N 0 3 244.335 0.137 20 0 BCADHN CC(C)NCC(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC000662626909 412247318 /nfs/dbraw/zinc/24/73/18/412247318.db2.gz MWNXBLOJSXHLOH-ZJUUUORDSA-N 0 3 241.335 0.145 20 0 BCADHN CC[C@@H](C)CCNC(=O)C[C@H]1CNCCO1 ZINC000662626526 412247755 /nfs/dbraw/zinc/24/77/55/412247755.db2.gz IQFVFJGHRNWAPM-MNOVXSKESA-N 0 3 228.336 0.917 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)Nc1cccnn1 ZINC000626434033 412252711 /nfs/dbraw/zinc/25/27/11/412252711.db2.gz NRQCQNMNTWIXEW-SECBINFHSA-N 0 3 235.291 0.692 20 0 BCADHN CC[C@@H](N)C(=O)NCCO[C@H]1CC1(F)F ZINC000662645529 412253477 /nfs/dbraw/zinc/25/34/77/412253477.db2.gz JXXGOTURGJDUKT-RQJHMYQMSA-N 0 3 222.235 0.264 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000662804287 412306917 /nfs/dbraw/zinc/30/69/17/412306917.db2.gz CXSLKNFSVKUAPX-UKKRHICBSA-N 0 3 238.331 0.668 20 0 BCADHN C[C@@H](N)C(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000663001432 412366360 /nfs/dbraw/zinc/36/63/60/412366360.db2.gz UQSUOIVYESFACV-XSSZXYGBSA-N 0 3 236.262 0.605 20 0 BCADHN CC(C)NCC(=O)N1CCOCC12CCC2 ZINC000662826348 412313209 /nfs/dbraw/zinc/31/32/09/412313209.db2.gz ZIMZOZOAJXEYHR-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)C(N)C(F)(F)F ZINC000662831753 412315357 /nfs/dbraw/zinc/31/53/57/412315357.db2.gz CCSCHEFSLGIQLH-PHDIDXHHSA-N 0 3 228.214 0.009 20 0 BCADHN O=C(CNC1CC1)Nc1cc(C2CC2)[nH]n1 ZINC000571203085 412316822 /nfs/dbraw/zinc/31/68/22/412316822.db2.gz PDOQFWCDEUFDLI-UHFFFAOYSA-N 0 3 220.276 0.978 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)[C@@H]1CCCCN1 ZINC000662839369 412317051 /nfs/dbraw/zinc/31/70/51/412317051.db2.gz QNFKSLRIZHNWOC-JTQLQIEISA-N 0 3 222.292 0.510 20 0 BCADHN CO[C@H]1CCCN(C(=O)C2(N)CCC2)CC1 ZINC000662836459 412317111 /nfs/dbraw/zinc/31/71/11/412317111.db2.gz ZSFIAQXDSHWBDU-JTQLQIEISA-N 0 3 226.320 0.895 20 0 BCADHN C[C@@H](CNC(=O)C1(N)CC1)c1ccccn1 ZINC000662843623 412318732 /nfs/dbraw/zinc/31/87/32/412318732.db2.gz UCNAXDCMDUONMH-VIFPVBQESA-N 0 3 219.288 0.793 20 0 BCADHN COC[C@@H](CCNC(=O)C1(N)CCCC1)OC ZINC000662848005 412319430 /nfs/dbraw/zinc/31/94/30/412319430.db2.gz RLGMTIHNSLLGCG-SNVBAGLBSA-N 0 3 244.335 0.426 20 0 BCADHN COC[C@@H](CCNC(=O)[C@@H](N)C(C)(C)C)OC ZINC000662847487 412319957 /nfs/dbraw/zinc/31/99/57/412319957.db2.gz FOPGZSJXHVMPCM-NXEZZACHSA-N 0 3 246.351 0.528 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@H](CO)C1CCC1 ZINC000662848714 412320818 /nfs/dbraw/zinc/32/08/18/412320818.db2.gz FULNUWGLWZSEQJ-HTQZYQBOSA-N 0 3 236.262 0.246 20 0 BCADHN CC(C)c1cc(NC(=O)[C@@H](N)CC(F)F)n[nH]1 ZINC000383406045 412321203 /nfs/dbraw/zinc/32/12/03/412321203.db2.gz RLVOATGOAPYEJJ-LURJTMIESA-N 0 3 246.261 1.454 20 0 BCADHN COCC1(N(C)C(=O)C[C@H]2CNCCO2)CC1 ZINC000662849774 412321531 /nfs/dbraw/zinc/32/15/31/412321531.db2.gz LVCXYNFJXIEETR-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN N[C@H](CC(F)F)C(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000662850313 412321755 /nfs/dbraw/zinc/32/17/55/412321755.db2.gz MBVKRYMRVBFZIX-VGMNWLOBSA-N 0 3 248.273 0.749 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](CO)C1CCC1 ZINC000662850256 412321814 /nfs/dbraw/zinc/32/18/14/412321814.db2.gz SHYVCWIRWBDJMZ-MIMYLULJSA-N 0 3 228.336 0.637 20 0 BCADHN COc1ccc(CN(C)C(=O)C2(N)CC2)cn1 ZINC000662850740 412322165 /nfs/dbraw/zinc/32/21/65/412322165.db2.gz VONOIAVWTDIZND-UHFFFAOYSA-N 0 3 235.287 0.540 20 0 BCADHN CC[C@@H](N)C(=O)N(C)C1(COC)CC1 ZINC000662850589 412322177 /nfs/dbraw/zinc/32/21/77/412322177.db2.gz QIPCYKQHFICKNK-MRVPVSSYSA-N 0 3 200.282 0.361 20 0 BCADHN NC1(C(=O)NCCCCO)Cc2ccccc2C1 ZINC000662852877 412323284 /nfs/dbraw/zinc/32/32/84/412323284.db2.gz JRHBDNUCKHYWCJ-UHFFFAOYSA-N 0 3 248.326 0.371 20 0 BCADHN NCC(=O)NCC(F)(F)c1cccc(F)c1 ZINC000662854165 412324159 /nfs/dbraw/zinc/32/41/59/412324159.db2.gz MXZBCVFMCLDBBD-UHFFFAOYSA-N 0 3 232.205 0.992 20 0 BCADHN O=C(NC/C=C/CO)c1cccc2c1CNC2 ZINC000662858728 412326320 /nfs/dbraw/zinc/32/63/20/412326320.db2.gz HRNKNMOJOIHGPO-OWOJBTEDSA-N 0 3 232.283 0.568 20 0 BCADHN CC(C)n1ccc(NC(=O)[C@@H]2CCN(C)C2)n1 ZINC000336333230 412326900 /nfs/dbraw/zinc/32/69/00/412326900.db2.gz DGNWJONYFXVUGG-SNVBAGLBSA-N 0 3 236.319 1.354 20 0 BCADHN CC[C@H](N)C(=O)N1CCN(CC)C(=O)[C@H]1CC ZINC000662871904 412330958 /nfs/dbraw/zinc/33/09/58/412330958.db2.gz USAYGEOACASGHS-VHSXEESVSA-N 0 3 241.335 0.193 20 0 BCADHN CN(C[C@H]1COCCO1)C(=O)[C@H]1CCCCN1 ZINC000662872513 412331151 /nfs/dbraw/zinc/33/11/51/412331151.db2.gz BYDJHHOCUYKNIX-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN CC1(C)CN[C@H]1C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000645742567 412331484 /nfs/dbraw/zinc/33/14/84/412331484.db2.gz XCBBKYWNGJRIIU-JTQLQIEISA-N 0 3 234.303 1.224 20 0 BCADHN COc1ccccc1[C@@H]1C[C@H]1NC(=O)CN ZINC000662890870 412337436 /nfs/dbraw/zinc/33/74/36/412337436.db2.gz AZQFUNSBMUGNRM-VHSXEESVSA-N 0 3 220.272 0.626 20 0 BCADHN Cc1cc(NC(=O)C(C)(C)N)nn1C(C)C ZINC000335444929 412337957 /nfs/dbraw/zinc/33/79/57/412337957.db2.gz MDAWYCNAMKTMBQ-UHFFFAOYSA-N 0 3 224.308 1.448 20 0 BCADHN CC(F)(F)CNC(=O)[C@H]1CCCCN1 ZINC000662897067 412338620 /nfs/dbraw/zinc/33/86/20/412338620.db2.gz CDPYQEJGNFORTO-SSDOTTSWSA-N 0 3 206.236 0.900 20 0 BCADHN CCn1ccnc1[C@H](C)NC(=O)[C@H](C)N ZINC000662899996 412339491 /nfs/dbraw/zinc/33/94/91/412339491.db2.gz JXEDAQAQOKGZEB-YUMQZZPRSA-N 0 3 210.281 0.427 20 0 BCADHN O=C([C@H]1CCCCN1)N1CC[C@@H]2C[C@@H]2C1 ZINC000662913531 412340838 /nfs/dbraw/zinc/34/08/38/412340838.db2.gz MEGGYEUTIXZKNO-GMTAPVOTSA-N 0 3 208.305 0.997 20 0 BCADHN CC(C)(N)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000662905546 412340957 /nfs/dbraw/zinc/34/09/57/412340957.db2.gz CTOKJUSFYLMXCL-LBPRGKRZSA-N 0 3 226.320 0.753 20 0 BCADHN CC(C)(N)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000662905545 412341189 /nfs/dbraw/zinc/34/11/89/412341189.db2.gz CTOKJUSFYLMXCL-GFCCVEGCSA-N 0 3 226.320 0.753 20 0 BCADHN COc1ccc(N(C)C(=O)[C@@H](C)N)cn1 ZINC000662901630 412341250 /nfs/dbraw/zinc/34/12/50/412341250.db2.gz XQBFYIOXBFIYQD-SSDOTTSWSA-N 0 3 209.249 0.400 20 0 BCADHN CNCC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000662908705 412342747 /nfs/dbraw/zinc/34/27/47/412342747.db2.gz WOHSUHUBGDSODP-LLVKDONJSA-N 0 3 212.293 0.235 20 0 BCADHN NC1(C(=O)N2CC[C@@]3(C2)CCCOC3)CCC1 ZINC000662911564 412344040 /nfs/dbraw/zinc/34/40/40/412344040.db2.gz RSZQFJBDLLBDJF-GFCCVEGCSA-N 0 3 238.331 0.897 20 0 BCADHN NC1(C(=O)N2CC[C@@H]3COC[C@@H]3C2)CCCC1 ZINC000662919991 412345780 /nfs/dbraw/zinc/34/57/80/412345780.db2.gz PUMZNGSKRKSAKS-MNOVXSKESA-N 0 3 238.331 0.753 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@@H](O)C1CC1 ZINC000665529593 412348148 /nfs/dbraw/zinc/34/81/48/412348148.db2.gz PDIMWCZTFFJKGQ-MNOVXSKESA-N 0 3 226.320 0.358 20 0 BCADHN CCN1CCC(NC(=O)c2nccnc2C)CC1 ZINC000665530498 412348327 /nfs/dbraw/zinc/34/83/27/412348327.db2.gz RTUZTEGKOFEGRG-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN CCN1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC000665530329 412348970 /nfs/dbraw/zinc/34/89/70/412348970.db2.gz MBWHRBVVJQVMBA-UHFFFAOYSA-N 0 3 222.292 0.624 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H](C)c1nccn1C ZINC000662934734 412349326 /nfs/dbraw/zinc/34/93/26/412349326.db2.gz QBUOGICFVRDHIE-DTWKUNHWSA-N 0 3 224.308 0.581 20 0 BCADHN Nc1ccncc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662944957 412350728 /nfs/dbraw/zinc/35/07/28/412350728.db2.gz DBZQMMPFJNGRTN-PSASIEDQSA-N 0 3 238.266 0.005 20 0 BCADHN Cc1nnsc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662944896 412350782 /nfs/dbraw/zinc/35/07/82/412350782.db2.gz ACVAQWGQAYPNDT-RNFRBKRXSA-N 0 3 244.295 0.358 20 0 BCADHN Cc1cc(CC(=O)N2CC[C@@H](F)[C@H](N)C2)on1 ZINC000662945510 412351264 /nfs/dbraw/zinc/35/12/64/412351264.db2.gz QCAZQZZAYUZADA-NXEZZACHSA-N 0 3 241.266 0.423 20 0 BCADHN C[C@]1(C(F)F)CN(C(=O)C2(N)CC2)CCO1 ZINC000663007380 412367721 /nfs/dbraw/zinc/36/77/21/412367721.db2.gz GQYMBOZTELYRBX-SECBINFHSA-N 0 3 234.246 0.360 20 0 BCADHN Cc1cn(C)nc1NC(=O)[C@H]1NCC1(C)C ZINC000662970312 412360883 /nfs/dbraw/zinc/36/08/83/412360883.db2.gz JBANADFHHPZUNZ-MRVPVSSYSA-N 0 3 222.292 0.665 20 0 BCADHN CC[C@H](N)C(=O)NC1(COC)CCOCC1 ZINC000662975968 412361456 /nfs/dbraw/zinc/36/14/56/412361456.db2.gz ZZQCPOMLIZZTRW-VIFPVBQESA-N 0 3 230.308 0.036 20 0 BCADHN Cc1cc2nccc(NC(=O)C(C)(C)N)n2n1 ZINC000662989862 412363929 /nfs/dbraw/zinc/36/39/29/412363929.db2.gz NBZMROVVPVBBJG-UHFFFAOYSA-N 0 3 233.275 0.714 20 0 BCADHN CN(C[C@H]1CC1(C)C)C(=O)COC1(C)CNC1 ZINC000662989810 412364112 /nfs/dbraw/zinc/36/41/12/412364112.db2.gz IZFLJUFYDALLHB-SNVBAGLBSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@H](NC)C(=O)Nc1ccnc2cc(C)nn21 ZINC000662993620 412364600 /nfs/dbraw/zinc/36/46/00/412364600.db2.gz PFTUOUWNGLRLHK-VIFPVBQESA-N 0 3 247.302 0.974 20 0 BCADHN CCc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)[nH]n1 ZINC000662746544 412290189 /nfs/dbraw/zinc/29/01/89/412290189.db2.gz MJXPPZXPWCIQJT-RKDXNWHRSA-N 0 3 240.282 0.483 20 0 BCADHN CCc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)n[nH]1 ZINC000662746544 412290191 /nfs/dbraw/zinc/29/01/91/412290191.db2.gz MJXPPZXPWCIQJT-RKDXNWHRSA-N 0 3 240.282 0.483 20 0 BCADHN C[C@@H](N)C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000662759670 412293016 /nfs/dbraw/zinc/29/30/16/412293016.db2.gz ARERTRCNXBOQTI-MRVPVSSYSA-N 0 3 236.319 0.668 20 0 BCADHN C[C@H](N)C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000662759672 412293140 /nfs/dbraw/zinc/29/31/40/412293140.db2.gz ARERTRCNXBOQTI-QMMMGPOBSA-N 0 3 236.319 0.668 20 0 BCADHN CNCC(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000662762408 412293744 /nfs/dbraw/zinc/29/37/44/412293744.db2.gz VTBDRYYJRWNNHJ-ONGXEEELSA-N 0 3 226.320 0.622 20 0 BCADHN [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000662766719 412296234 /nfs/dbraw/zinc/29/62/34/412296234.db2.gz OEYMFZKPCDHWDT-KCJUWKMLSA-N 0 3 236.271 0.695 20 0 BCADHN NC1(C(=O)Nc2cc(CC3CC3)[nH]n2)CC1 ZINC000639020601 412296255 /nfs/dbraw/zinc/29/62/55/412296255.db2.gz OARWWHGWKDRORP-UHFFFAOYSA-N 0 3 220.276 0.792 20 0 BCADHN CN[C@@H](CC(C)(C)C)C(=O)Nc1cc[nH]n1 ZINC000387613554 412297890 /nfs/dbraw/zinc/29/78/90/412297890.db2.gz ZJZVDANKTRCIOE-QMMMGPOBSA-N 0 3 224.308 1.372 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cnc3n2CCC3)[C@H]1C ZINC000662772398 412298428 /nfs/dbraw/zinc/29/84/28/412298428.db2.gz DVZMAYGCYMAGTM-ZJUUUORDSA-N 0 3 248.330 0.652 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000424183314 412301073 /nfs/dbraw/zinc/30/10/73/412301073.db2.gz VHSSNTCXDDENQB-NTSWFWBYSA-N 0 3 248.208 0.731 20 0 BCADHN CC(C)OC[C@@H](C)NCCNc1cnccn1 ZINC000337309983 412301504 /nfs/dbraw/zinc/30/15/04/412301504.db2.gz UKWQMVBKBGHCPL-LLVKDONJSA-N 0 3 238.335 1.292 20 0 BCADHN CC(C)OC[C@H](C)NCCNc1cnccn1 ZINC000337309984 412302309 /nfs/dbraw/zinc/30/23/09/412302309.db2.gz UKWQMVBKBGHCPL-NSHDSACASA-N 0 3 238.335 1.292 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000663010566 412369802 /nfs/dbraw/zinc/36/98/02/412369802.db2.gz UETZBABDMPCGCY-HZGVNTEJSA-N 0 3 222.235 0.216 20 0 BCADHN CC12CC(C1)CN2C(=O)CNC[C@H]1CCCO1 ZINC000663017076 412372148 /nfs/dbraw/zinc/37/21/48/412372148.db2.gz MEPCVBVQQALXOF-QWKFWESOSA-N 0 3 238.331 0.766 20 0 BCADHN COCCNCC(=O)N1CC2CC1(C)C2 ZINC000663017402 412372604 /nfs/dbraw/zinc/37/26/04/412372604.db2.gz NUHISYYMIFYRER-UHFFFAOYSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)C1CC1 ZINC000663222196 412394145 /nfs/dbraw/zinc/39/41/45/412394145.db2.gz UUGGUBIIHDHKIH-SZEHBUNVSA-N 0 3 229.299 0.866 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NCCOC)C1 ZINC000663238557 412398044 /nfs/dbraw/zinc/39/80/44/412398044.db2.gz WCOUMFSZDHHMNE-SNVBAGLBSA-N 0 3 229.324 0.416 20 0 BCADHN Cc1nccc(N2CC[C@@H](F)[C@H](N)C2)n1 ZINC000663276621 412406195 /nfs/dbraw/zinc/40/61/95/412406195.db2.gz FYUIVRNHGPATNB-RKDXNWHRSA-N 0 3 210.256 0.661 20 0 BCADHN C[C@H](CN1CCN(C(=O)CO)CC1)C(C)(C)C ZINC000671308411 487623341 /nfs/dbraw/zinc/62/33/41/487623341.db2.gz YEEXZXXEHZCWDG-LLVKDONJSA-N 0 3 242.363 0.805 20 0 BCADHN CCc1nn(C)cc1C(=O)NCCN(C)CC ZINC000092457891 172040849 /nfs/dbraw/zinc/04/08/49/172040849.db2.gz PVPDKKSDZMNBGV-UHFFFAOYSA-N 0 3 238.335 0.664 20 0 BCADHN CCc1nnc(CN2CCCN(C)CC2)o1 ZINC000336704068 172050900 /nfs/dbraw/zinc/05/09/00/172050900.db2.gz PDUAJKPNNQZBIP-UHFFFAOYSA-N 0 3 224.308 0.770 20 0 BCADHN CCc1nnc2n1C[C@H](NC1COC1)CC2 ZINC000376903170 172068821 /nfs/dbraw/zinc/06/88/21/172068821.db2.gz LOVQBHHCCSUZDZ-MRVPVSSYSA-N 0 3 222.292 0.144 20 0 BCADHN CCn1cc(CCN2CCC[C@@H](O)C2)cn1 ZINC000276292536 172158096 /nfs/dbraw/zinc/15/80/96/172158096.db2.gz IENRGFVLLSDBNW-GFCCVEGCSA-N 0 3 223.320 0.902 20 0 BCADHN CCn1cc(CCN2CCC(O)CC2)cn1 ZINC000276270532 172159250 /nfs/dbraw/zinc/15/92/50/172159250.db2.gz CSWMUHYAINPRGB-UHFFFAOYSA-N 0 3 223.320 0.902 20 0 BCADHN CCn1cc(CN2CCC[C@@H]2CO)cn1 ZINC000050544068 172163913 /nfs/dbraw/zinc/16/39/13/172163913.db2.gz BMGXTMUZCOQXTR-LLVKDONJSA-N 0 3 209.293 0.860 20 0 BCADHN CCn1cc(CN2C[C@H](C)[C@@H](CO)C2)cn1 ZINC000361656507 172166422 /nfs/dbraw/zinc/16/64/22/172166422.db2.gz SSNZZTYDPGUTJV-CMPLNLGQSA-N 0 3 223.320 0.963 20 0 BCADHN CCn1cc(CNC2(CO)CCC2)cn1 ZINC000157490254 172169839 /nfs/dbraw/zinc/16/98/39/172169839.db2.gz PEMSIMLHADAUQD-UHFFFAOYSA-N 0 3 209.293 0.908 20 0 BCADHN CCn1cc(CNCCN2CCC2)cn1 ZINC000336752303 172170442 /nfs/dbraw/zinc/17/04/42/172170442.db2.gz GDDRCLKNRLYNDI-UHFFFAOYSA-N 0 3 208.309 0.698 20 0 BCADHN CCn1cc(CNCCn2ccnc2)cn1 ZINC000050539651 172171201 /nfs/dbraw/zinc/17/12/01/172171201.db2.gz NBFZNNASHJXPLL-UHFFFAOYSA-N 0 3 219.292 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CNC(=O)NC(=O)CN1[C@@H](C)CCC[C@@H]1C ZINC000104078461 173286780 /nfs/dbraw/zinc/28/67/80/173286780.db2.gz LJIHWXRCYMBKOT-IUCAKERBSA-N 0 3 227.308 0.705 20 0 BCADHN CNC(=O)NC(=O)CN1CCCC12CCC2 ZINC000335525610 173287050 /nfs/dbraw/zinc/28/70/50/173287050.db2.gz QTHIZEXBEYTJOJ-UHFFFAOYSA-N 0 3 225.292 0.461 20 0 BCADHN CNC(=O)NC(=O)CN[C@@H]1CCC12CCCC2 ZINC000336254923 173287478 /nfs/dbraw/zinc/28/74/78/173287478.db2.gz FPDDRAAODQOUIP-SECBINFHSA-N 0 3 239.319 0.754 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](C)C1 ZINC000016446170 173287607 /nfs/dbraw/zinc/28/76/07/173287607.db2.gz ODLHRSBPKOWDFA-RKDXNWHRSA-N 0 3 227.308 0.562 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N(C)CCC1CC1 ZINC000135248845 173287745 /nfs/dbraw/zinc/28/77/45/173287745.db2.gz FYRWKGUYGOBEOB-MRVPVSSYSA-N 0 3 227.308 0.562 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000007781758 173287841 /nfs/dbraw/zinc/28/78/41/173287841.db2.gz STWNSGMYKVOZBY-SECBINFHSA-N 0 3 227.308 0.707 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1CCCC(C)(C)C1 ZINC000112702132 173288102 /nfs/dbraw/zinc/28/81/02/173288102.db2.gz VPQMQVXZGSKQPM-VIFPVBQESA-N 0 3 241.335 0.953 20 0 BCADHN CNC(=O)[C@@H](C)NC(=O)C[C@@H](N)c1ccccc1 ZINC000042572999 173294879 /nfs/dbraw/zinc/29/48/79/173294879.db2.gz JCCIYUUBQPLNCM-MWLCHTKSSA-N 0 3 249.314 0.327 20 0 BCADHN C[C@H](CO)CN1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000680637920 487626146 /nfs/dbraw/zinc/62/61/46/487626146.db2.gz WHKHOBMKNQQIRO-GXSJLCMTSA-N 0 3 241.335 0.151 20 0 BCADHN CNC(=O)[C@@H](NCCOC1CCC1)C(C)C ZINC000309973449 173296787 /nfs/dbraw/zinc/29/67/87/173296787.db2.gz QZFHIUSCHPRIKN-NSHDSACASA-N 0 3 228.336 0.916 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](N)C(C)C ZINC000037810765 173297180 /nfs/dbraw/zinc/29/71/80/173297180.db2.gz DSXBRBBISAMTQP-UWVGGRQHSA-N 0 3 241.335 0.097 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1C[C@H](O)C(C)(C)C ZINC000340286487 173297898 /nfs/dbraw/zinc/29/78/98/173297898.db2.gz JSFZTCOWHUCDCM-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@@H](O)C(C)C ZINC000340284575 173298658 /nfs/dbraw/zinc/29/86/58/173298658.db2.gz ABRDQQPTFPNTDU-VHSXEESVSA-N 0 3 214.309 0.214 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CCC1(O)CC1 ZINC000331470646 173299096 /nfs/dbraw/zinc/29/90/96/173299096.db2.gz JRVAXAHFCQIGJS-VIFPVBQESA-N 0 3 212.293 0.112 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)NC(C)C ZINC000331206426 173299359 /nfs/dbraw/zinc/29/93/59/173299359.db2.gz YDAWKYSJKYYSLX-NXEZZACHSA-N 0 3 241.335 0.015 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1n[nH]cc1C ZINC000352801697 173299457 /nfs/dbraw/zinc/29/94/57/173299457.db2.gz SBSVQKXPNHAIIK-ZJUUUORDSA-N 0 3 236.319 0.722 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NC(C)C ZINC000331206429 173299515 /nfs/dbraw/zinc/29/95/15/173299515.db2.gz YDAWKYSJKYYSLX-ZJUUUORDSA-N 0 3 241.335 0.015 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(Cc2c[nH]cn2)C1 ZINC000281065193 173300289 /nfs/dbraw/zinc/30/02/89/173300289.db2.gz KHXBHITUNPQLTQ-NSHDSACASA-N 0 3 222.292 0.368 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(Cc2cnc[nH]2)C1 ZINC000281065193 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223.276 0.866 20 0 BCADHN CNCC(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000037820318 173326993 /nfs/dbraw/zinc/32/69/93/173326993.db2.gz HZLNHYLPAMRSKU-VIFPVBQESA-N 0 3 223.276 0.866 20 0 BCADHN CNCC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000037818372 173327204 /nfs/dbraw/zinc/32/72/04/173327204.db2.gz OTYQALVNYFUNMJ-GFCCVEGCSA-N 0 3 234.299 0.806 20 0 BCADHN CNCC(=O)NCC(C)(C)C[C@@H](C)O ZINC000336725388 173328240 /nfs/dbraw/zinc/32/82/40/173328240.db2.gz GKGPWTYEORNSFT-MRVPVSSYSA-N 0 3 202.298 0.119 20 0 BCADHN CNCC(=O)NCCOc1ccc(C)cc1 ZINC000077334044 173328529 /nfs/dbraw/zinc/32/85/29/173328529.db2.gz QNKFKXUFTWLLHB-UHFFFAOYSA-N 0 3 222.288 0.709 20 0 BCADHN CNCC(=O)NCCCOc1ccccc1 ZINC000050212081 173328676 /nfs/dbraw/zinc/32/86/76/173328676.db2.gz QMALDZHVDFBWOZ-UHFFFAOYSA-N 0 3 222.288 0.791 20 0 BCADHN CNCC(=O)NCCc1csc(C)n1 ZINC000082276196 173328678 /nfs/dbraw/zinc/32/86/78/173328678.db2.gz BLRXFOLYCPRCPN-UHFFFAOYSA-N 0 3 213.306 0.330 20 0 BCADHN CNCC(=O)NCCCn1cnc2ccccc21 ZINC000040419295 173329237 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CC[C@H](N[C@@H](C)COC(C)=O)[C@@H](O)C(F)F ZINC000894687088 583506860 /nfs/dbraw/zinc/50/68/60/583506860.db2.gz DGUZOWUIIPJULU-CNUIFLNQSA-N 0 3 239.262 0.932 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H]1C[C@H]1C ZINC000052289903 175507143 /nfs/dbraw/zinc/50/71/43/175507143.db2.gz XWZNZQKXKXFXMX-GJMOJQLCSA-N 0 3 202.323 0.591 20 0 BCADHN CSCC[C@H](N)C(=O)Nc1nc(C)c[nH]1 ZINC000157432443 175508324 /nfs/dbraw/zinc/50/83/24/175508324.db2.gz JHHJCHGICKFEIJ-ZETCQYMHSA-N 0 3 228.321 0.737 20 0 BCADHN CSC[C@](C)(O)CNCc1ccc(CO)o1 ZINC000164620412 175530674 /nfs/dbraw/zinc/53/06/74/175530674.db2.gz GGEFSPXXAKFCEK-LLVKDONJSA-N 0 3 245.344 0.976 20 0 BCADHN C[C@@H](CNC(=O)CCc1cnccn1)N(C)C ZINC000280419272 175723687 /nfs/dbraw/zinc/72/36/87/175723687.db2.gz WTYKMSDHMGWOJX-JTQLQIEISA-N 0 3 236.319 0.476 20 0 BCADHN C[C@@H](CNC(=O)Cc1ccncc1)N(C)C ZINC000272362538 175724484 /nfs/dbraw/zinc/72/44/84/175724484.db2.gz NQGDYWWSKKIETI-JTQLQIEISA-N 0 3 221.304 0.690 20 0 BCADHN C[C@@H](CO)NCc1c[nH]nc1-c1cccnc1 ZINC000037258717 175755954 /nfs/dbraw/zinc/75/59/54/175755954.db2.gz OFEJJYNBUIROEY-VIFPVBQESA-N 0 3 232.287 0.942 20 0 BCADHN C[C@@H](COc1cccc(F)c1)NC(=O)CN ZINC000269054643 175763175 /nfs/dbraw/zinc/76/31/75/175763175.db2.gz VRJNYPGACZDIJC-QMMMGPOBSA-N 0 3 226.251 0.668 20 0 BCADHN C[C@@H](NC(=O)/C=C/CN(C)C)[C@H]1CCCO1 ZINC000265692520 175823714 /nfs/dbraw/zinc/82/37/14/175823714.db2.gz ZDNVOSGTNKVAAX-OZSGMGSPSA-N 0 3 226.320 0.788 20 0 BCADHN C[C@@H](NC(=O)C1(N)CC1)C1CCOCC1 ZINC000226371486 175826098 /nfs/dbraw/zinc/82/60/98/175826098.db2.gz UASOSQGKIUKMDX-MRVPVSSYSA-N 0 3 212.293 0.409 20 0 BCADHN C[C@@H](NCCOCCO)c1cnn(C)c1 ZINC000044495539 175882963 /nfs/dbraw/zinc/88/29/63/175882963.db2.gz BXLXYBCQZVLHHY-SECBINFHSA-N 0 3 213.281 0.080 20 0 BCADHN C[C@@H](c1cccnc1)N1C[C@@H](O)C[C@H]1CO ZINC000274494985 176030524 /nfs/dbraw/zinc/03/05/24/176030524.db2.gz QFMSJQMZUKXODM-DLOVCJGASA-N 0 3 222.288 0.570 20 0 BCADHN C[C@@H]1CC(=O)NCCN1C[C@H]1CCC=CO1 ZINC000377882392 176049203 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176260583 /nfs/dbraw/zinc/26/05/83/176260583.db2.gz SCZKQNMBXMPAES-RKDXNWHRSA-N 0 3 235.287 0.197 20 0 BCADHN C[C@@H]1CN(C(=O)c2cocn2)[C@H](C)CN1 ZINC000272587369 176264798 /nfs/dbraw/zinc/26/47/98/176264798.db2.gz RLKZOVNVOKCIJI-HTQZYQBOSA-N 0 3 209.249 0.497 20 0 BCADHN C[C@@H]1CN(C(N)=O)CCN1C1CCN(C)CC1 ZINC000354151077 176265973 /nfs/dbraw/zinc/26/59/73/176265973.db2.gz VHPCWEKJCRYLQP-SNVBAGLBSA-N 0 3 240.351 0.165 20 0 BCADHN C[C@@H]1CN(C)CCN1CCCN1CCOCC1 ZINC000336698500 176267354 /nfs/dbraw/zinc/26/73/54/176267354.db2.gz KNRAHZHNDLYLSY-CYBMUJFWSA-N 0 3 241.379 0.345 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1N[C@H]1CCCN(C)C1=O ZINC000336778684 176274362 /nfs/dbraw/zinc/27/43/62/176274362.db2.gz MADNVNHRFOZBGR-VWYCJHECSA-N 0 3 225.336 0.147 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1NCc1nnc2ccccn21 ZINC000354961977 176276525 /nfs/dbraw/zinc/27/65/25/176276525.db2.gz SFWSVOOFJPXCEO-GHMZBOCLSA-N 0 3 245.330 0.769 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1NC[C@@H](O)C(F)(F)F ZINC000309090526 176277533 /nfs/dbraw/zinc/27/75/33/176277533.db2.gz BALDNUSJJNPFJN-BWZBUEFSSA-N 0 3 226.242 0.449 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccn[nH]1 ZINC000268147620 176281087 /nfs/dbraw/zinc/28/10/87/176281087.db2.gz AZDUBBRSGUVXLG-KCJUWKMLSA-N 0 3 234.303 0.622 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccnn1C ZINC000268291885 176281394 /nfs/dbraw/zinc/28/13/94/176281394.db2.gz ZJWFHRMERLSPHW-MWLCHTKSSA-N 0 3 248.330 0.633 20 0 BCADHN C[C@@H]1CN(CCCO)C[C@]2(CCOC2)O1 ZINC000366568599 176288890 /nfs/dbraw/zinc/28/88/90/176288890.db2.gz GASZYRPEYUXZKX-MNOVXSKESA-N 0 3 215.293 0.249 20 0 BCADHN C[C@@H]1CN(CCCO)CC2(CCOCC2)O1 ZINC000366099557 176290090 /nfs/dbraw/zinc/29/00/90/176290090.db2.gz UELNIZICWVGTSV-LLVKDONJSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@@H]1CN(CCN2CCCOCC2)CCO1 ZINC000337244979 176290778 /nfs/dbraw/zinc/29/07/78/176290778.db2.gz IEYOLOLPLCPSPL-GFCCVEGCSA-N 0 3 228.336 0.429 20 0 BCADHN C[C@@H]1CN(CCN2CCCCC2)CC(=O)N1 ZINC000336236714 176291472 /nfs/dbraw/zinc/29/14/72/176291472.db2.gz VOZXTBZSLVCZHG-LLVKDONJSA-N 0 3 225.336 0.293 20 0 BCADHN C[C@@H]1CN(CCN(C)[C@H]2CCOC2)CCO1 ZINC000337257826 176291511 /nfs/dbraw/zinc/29/15/11/176291511.db2.gz UQTFPOSRZJLTTM-NEPJUHHUSA-N 0 3 228.336 0.428 20 0 BCADHN C[C@H](CO)N(C)CCN1CCO[C@H](C)C1 ZINC000337309726 176291610 /nfs/dbraw/zinc/29/16/10/176291610.db2.gz ZJZYZFJCPBSKSE-GHMZBOCLSA-N 0 3 216.325 0.020 20 0 BCADHN C[C@@H]1CN(CCOCC(F)F)C[C@H]1CO ZINC000362088661 176292129 /nfs/dbraw/zinc/29/21/29/176292129.db2.gz QUEPRKVZBLARAQ-BDAKNGLRSA-N 0 3 223.263 0.828 20 0 BCADHN C[C@@H]1CN(Cc2cccc(C(N)=O)c2)C[C@H]1CO ZINC000191720816 176304373 /nfs/dbraw/zinc/30/43/73/176304373.db2.gz VWGGSFLSFIIEBX-MFKMUULPSA-N 0 3 248.326 0.846 20 0 BCADHN C[C@@H]1CN(Cc2cnc3cnccn23)C[C@H]1CO ZINC000361660249 176310134 /nfs/dbraw/zinc/31/01/34/176310134.db2.gz JWOTUNUFKVFZBM-MNOVXSKESA-N 0 3 246.314 0.790 20 0 BCADHN C[C@@H]1CN([C@@H]2CCOC2)C[C@H]1N1CCOCC1 ZINC000336705584 176315467 /nfs/dbraw/zinc/31/54/67/176315467.db2.gz NRNANJWPENGSPW-JHJVBQTASA-N 0 3 240.347 0.428 20 0 BCADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1c[nH]cn1 ZINC000265029581 176322587 /nfs/dbraw/zinc/32/25/87/176322587.db2.gz FYMOOKDBZNKJHK-NXEZZACHSA-N 0 3 234.303 0.718 20 0 BCADHN C[C@@H]1COCCN(C[C@@H](O)Cn2cccn2)C1 ZINC000331496091 176333251 /nfs/dbraw/zinc/33/32/51/176333251.db2.gz NTDGHMRLCZVLOA-NWDGAFQWSA-N 0 3 239.319 0.212 20 0 BCADHN C[C@@H]1COCCN(CCn2cncn2)C1 ZINC000374341329 176333277 /nfs/dbraw/zinc/33/32/77/176333277.db2.gz NYOACUWJHAUSSY-JTQLQIEISA-N 0 3 210.281 0.246 20 0 BCADHN C[C@@H]1COCCN1CCN(CCO)C1CCC1 ZINC000337207807 176335496 /nfs/dbraw/zinc/33/54/96/176335496.db2.gz PIJTYFYQCVAWRD-GFCCVEGCSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H]1COCCN1CCN1C[C@@H](O)C(C)(C)C1 ZINC000337239026 176335804 /nfs/dbraw/zinc/33/58/04/176335804.db2.gz MOBQXXMQXRTBNQ-VXGBXAGGSA-N 0 3 242.363 0.410 20 0 BCADHN C[C@@H]1COCC[C@@H]1NCc1nccn1C ZINC000277890447 176341069 /nfs/dbraw/zinc/34/10/69/176341069.db2.gz OLVLREUWSRAOFZ-ZJUUUORDSA-N 0 3 209.293 0.935 20 0 BCADHN C[C@@H]1CSCCN([C@@H]2COC[C@H]2O)C1 ZINC000306570871 176350075 /nfs/dbraw/zinc/35/00/75/176350075.db2.gz ZNKREIVOTPQVKS-IVZWLZJFSA-N 0 3 217.334 0.431 20 0 BCADHN C[C@@H]1CSCCN([C@H]2COC[C@@H]2O)C1 ZINC000306570870 176350722 /nfs/dbraw/zinc/35/07/22/176350722.db2.gz ZNKREIVOTPQVKS-GUBZILKMSA-N 0 3 217.334 0.431 20 0 BCADHN C[C@@H]1CSC[C@@H]1NCC(=O)NCC1CC1 ZINC000336762739 176352307 /nfs/dbraw/zinc/35/23/07/176352307.db2.gz OMMAJTQPFBUYKW-SCZZXKLOSA-N 0 3 228.361 0.854 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@H]1CSC[C@H]1C ZINC000357743599 176352572 /nfs/dbraw/zinc/35/25/72/176352572.db2.gz TTZVPUQUAOSWKO-BBBLOLIVSA-N 0 3 245.392 0.987 20 0 BCADHN C[C@@H]1CSC[C@H]1NC(=O)N(C)CCN(C)C ZINC000357733259 176354236 /nfs/dbraw/zinc/35/42/36/176354236.db2.gz DOTFKSHPVAVWOY-NXEZZACHSA-N 0 3 245.392 0.941 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCO2)CN1C1CC1 ZINC000123858853 176373456 /nfs/dbraw/zinc/37/34/56/176373456.db2.gz ZHSLNUWBPQGBCT-FOGDFJRCSA-N 0 3 238.331 0.907 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)NC2CC2)CCN1C ZINC000127566467 176373651 /nfs/dbraw/zinc/37/36/51/176373651.db2.gz BPYOOIDAGXLKNH-SCZZXKLOSA-N 0 3 211.309 0.931 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)NCCCO)CN1C1CC1 ZINC000130147892 176374449 /nfs/dbraw/zinc/37/44/49/176374449.db2.gz IOSFGRRYASMLEZ-NXEZZACHSA-N 0 3 241.335 0.293 20 0 BCADHN C[C@H](CO)N1CCCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000364210056 176385213 /nfs/dbraw/zinc/38/52/13/176385213.db2.gz CTICUTXFVUVCOK-UTUOFQBUSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@@H]1C[C@@H]1CC(=O)NC[C@](C)(O)CN(C)C ZINC000355388894 176390193 /nfs/dbraw/zinc/39/01/93/176390193.db2.gz USBPMUHEGBYABX-FOGDFJRCSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC1)NC(=O)[N-]C2=O ZINC000336566176 176391542 /nfs/dbraw/zinc/39/15/42/176391542.db2.gz YWIGGFKIPTVJTM-RKDXNWHRSA-N 0 3 237.303 0.316 20 0 BCADHN C[C@@H]1C[C@@H]1CN[C@@H](CO)c1cnn(C)c1 ZINC000309142929 176397423 /nfs/dbraw/zinc/39/74/23/176397423.db2.gz UEXFSPUBWKOVDP-KKZNHRDASA-N 0 3 209.293 0.699 20 0 BCADHN C[C@@H]1C[C@@H]1N1C[C@H](N[C@H]2CCOC2)CC1=O ZINC000309798259 176398540 /nfs/dbraw/zinc/39/85/40/176398540.db2.gz QRLDVFCRGXSECJ-YTWAJWBKSA-N 0 3 224.304 0.374 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccccn1 ZINC000071521334 176460039 /nfs/dbraw/zinc/46/00/39/176460039.db2.gz KEWNVJZJHACYAB-VHSXEESVSA-N 0 3 219.288 0.904 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000674866994 487634077 /nfs/dbraw/zinc/63/40/77/487634077.db2.gz UMKDOTXOXPKDJK-LDYMZIIASA-N 0 3 236.319 0.788 20 0 BCADHN C[C@@]1(CNC(=O)C[C@@H]2CNCCO2)CCCO1 ZINC000094802451 176531750 /nfs/dbraw/zinc/53/17/50/176531750.db2.gz QZCFGVLTHIIYEY-PWSUYJOCSA-N 0 3 242.319 0.050 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000674844138 487634664 /nfs/dbraw/zinc/63/46/64/487634664.db2.gz YEPXHFMNUZJCRY-MWLCHTKSSA-N 0 3 236.319 0.409 20 0 BCADHN C[C@H](CCS(C)(=O)=O)NCC1=CCCOC1 ZINC000330364495 176639038 /nfs/dbraw/zinc/63/90/38/176639038.db2.gz PNZYSAXSCAYWCE-SNVBAGLBSA-N 0 3 247.360 0.746 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@H](C)C[S@@](C)=O ZINC000355081143 176651003 /nfs/dbraw/zinc/65/10/03/176651003.db2.gz KXXUSAKDOPMCEH-ABFUHYCJSA-N 0 3 249.380 0.003 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@H]1CCSC1 ZINC000353840563 176651399 /nfs/dbraw/zinc/65/13/99/176651399.db2.gz IFBHOXKHJSRTJP-BDAKNGLRSA-N 0 3 231.365 0.741 20 0 BCADHN C[C@H](CNC(=O)c1ccnnc1)N(C)C ZINC000270439814 176677238 /nfs/dbraw/zinc/67/72/38/176677238.db2.gz NYTVFETXPUHMLS-MRVPVSSYSA-N 0 3 208.265 0.157 20 0 BCADHN C[C@H](NCCCS(N)(=O)=O)c1ccccn1 ZINC000045066398 176845494 /nfs/dbraw/zinc/84/54/94/176845494.db2.gz AHXPOUOPUXKYGH-VIFPVBQESA-N 0 3 243.332 0.411 20 0 BCADHN C[C@H](O)[C@@H]1CCCCN1CC(=O)N(C)C ZINC000303992526 177008066 /nfs/dbraw/zinc/00/80/66/177008066.db2.gz NBMXJDNEOKSUIB-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@H](O)[C@@H]1CCN(Cc2cccc(C(N)=O)c2)C1 ZINC000162749600 177009866 /nfs/dbraw/zinc/00/98/66/177009866.db2.gz PDFUQURGXOWONM-GXFFZTMASA-N 0 3 248.326 0.988 20 0 BCADHN C[C@H](c1ccccn1)N1C[C@@H](O)C[C@H]1CO ZINC000186522550 177043710 /nfs/dbraw/zinc/04/37/10/177043710.db2.gz PKXCZIYNUURWJV-VWYCJHECSA-N 0 3 222.288 0.570 20 0 BCADHN C[C@H](c1nnnn1C)N(C)CCN1CCCC1 ZINC000329876769 177055435 /nfs/dbraw/zinc/05/54/35/177055435.db2.gz IIKBRWVKHJZBHI-SNVBAGLBSA-N 0 3 238.339 0.299 20 0 BCADHN C[C@H]1CC(=O)NCCN1CCN1CCCCC1 ZINC000363459767 177062342 /nfs/dbraw/zinc/06/23/42/177062342.db2.gz RJTJSOGCUDKVNU-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN C[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188191373 177094136 /nfs/dbraw/zinc/09/41/36/177094136.db2.gz APHIVHYEJAWSJK-LPEHRKFASA-N 0 3 214.284 0.945 20 0 BCADHN C[C@H]1CCCN(CCN2CCNC2=O)[C@@H]1CO ZINC000336711746 177097194 /nfs/dbraw/zinc/09/71/94/177097194.db2.gz NOPRKCRXVSAVNG-WDEREUQCSA-N 0 3 241.335 0.104 20 0 BCADHN C[C@@H](CNS(C)(=O)=O)N1CCC[C@H](C)C1 ZINC000045744888 177104589 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/nfs/dbraw/zinc/16/36/57/177163657.db2.gz KAZZBTKUPKMUBT-CABZTGNLSA-N 0 3 225.288 0.975 20 0 BCADHN C[C@H]1CCNC(=O)[C@H]1NCc1cc[nH]c1 ZINC000193698883 177173546 /nfs/dbraw/zinc/17/35/46/177173546.db2.gz FFNURIPEAICIHP-WPRPVWTQSA-N 0 3 207.277 0.629 20 0 BCADHN C[C@H]1CCNC[C@@H]1NS(=O)(=O)C1CC1 ZINC000070908498 177174380 /nfs/dbraw/zinc/17/43/80/177174380.db2.gz JBNAUNGYOVBUKR-CBAPKCEASA-N 0 3 218.322 0.066 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)Nc2ccc(=O)n(C)c2)C1 ZINC000126528363 177176640 /nfs/dbraw/zinc/17/66/40/177176640.db2.gz WGUBHRDSULVCEO-ONGXEEELSA-N 0 3 249.314 0.712 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H](O)C1CC1 ZINC000331428189 177185613 /nfs/dbraw/zinc/18/56/13/177185613.db2.gz FJLXGSPMQQHLLC-JFGNBEQYSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCOC1 ZINC000337479809 177185970 /nfs/dbraw/zinc/18/59/70/177185970.db2.gz VXILYUGVSAEVTL-OUAUKWLOSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](CO)N(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000338694243 177186309 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/nfs/dbraw/zinc/21/13/41/177211341.db2.gz JVAMGKHZQRKMBE-YEZKRMTDSA-N 0 3 212.293 0.352 20 0 BCADHN C[C@H]1CN(C(=O)C2(N)CCCC2)CCCO1 ZINC000061920381 177212441 /nfs/dbraw/zinc/21/24/41/177212441.db2.gz JEGPVZVUUQMYMG-JTQLQIEISA-N 0 3 226.320 0.895 20 0 BCADHN C[C@H]1CN(C(=O)CN)C[C@H](c2ccsc2)O1 ZINC000237594598 177216391 /nfs/dbraw/zinc/21/63/91/177216391.db2.gz LTFIQIHCAASOJY-WCBMZHEXSA-N 0 3 240.328 0.995 20 0 BCADHN C[C@H]1CN(C(=O)Cc2cnn(C)c2)[C@@H](C)CN1 ZINC000272523860 177218915 /nfs/dbraw/zinc/21/89/15/177218915.db2.gz IHHXSOHPJGJBIE-UWVGGRQHSA-N 0 3 236.319 0.171 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccnnc1 ZINC000333355542 177221411 /nfs/dbraw/zinc/22/14/11/177221411.db2.gz RZZLAZOQGUZBPH-DTWKUNHWSA-N 0 3 235.291 0.691 20 0 BCADHN C[C@H]1OCC[C@H]1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000333596446 177221579 /nfs/dbraw/zinc/22/15/79/177221579.db2.gz OZVNDFNCISUUSY-LNFKQOIKSA-N 0 3 241.335 0.556 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)CCN1 ZINC000131879859 177221831 /nfs/dbraw/zinc/22/18/31/177221831.db2.gz KPBCFWZXIZCSBO-AAEUAGOBSA-N 0 3 247.342 0.377 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)C[C@H](C)O1 ZINC000336642841 177221901 /nfs/dbraw/zinc/22/19/01/177221901.db2.gz ACLQYUCWGMNABB-RNJXMRFFSA-N 0 3 236.262 0.605 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N2CCO[C@@H](C)C2)C1 ZINC000229220858 177223065 /nfs/dbraw/zinc/22/30/65/177223065.db2.gz BEEATRBGTDDNRB-VWYCJHECSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1CN(C(=O)[C@H]2CCCCN2)CCCO1 ZINC000061920285 177224732 /nfs/dbraw/zinc/22/47/32/177224732.db2.gz MOASHUYODPDRTK-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc[nH]c(=O)c1 ZINC000227355593 177226725 /nfs/dbraw/zinc/22/67/25/177226725.db2.gz SCZKQNMBXMPAES-DTWKUNHWSA-N 0 3 235.287 0.197 20 0 BCADHN C[C@H]1CN(C(=O)c2ccnn2C)[C@@H](C)CN1 ZINC000083118276 177229456 /nfs/dbraw/zinc/22/94/56/177229456.db2.gz QOABPRICDQNGLV-IUCAKERBSA-N 0 3 222.292 0.243 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cn(C)cn1 ZINC000227506512 177229522 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487644563 /nfs/dbraw/zinc/64/45/63/487644563.db2.gz BTVAKPOXTFWXDS-GXSJLCMTSA-N 0 3 226.320 0.358 20 0 BCADHN COCCCNC(=O)CN(C)C[C@@H]1C[C@H]1C ZINC000488345213 225381952 /nfs/dbraw/zinc/38/19/52/225381952.db2.gz HFRKTXNOQLLGJA-MNOVXSKESA-N 0 3 228.336 0.727 20 0 BCADHN CO[C@@H](C)CN1CCN(C[C@H](C)O)CC1 ZINC000487916814 225331220 /nfs/dbraw/zinc/33/12/20/225331220.db2.gz MUKFQFWWWPLAIT-QWRGUYRKSA-N 0 3 216.325 0.020 20 0 BCADHN CCn1ncnc1CN1C[C@H](C)N(C)C[C@H]1C ZINC000488113331 225348231 /nfs/dbraw/zinc/34/82/31/225348231.db2.gz JCQLNLGJYFWPSQ-WDEREUQCSA-N 0 3 237.351 0.822 20 0 BCADHN CCn1ncnc1CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000488169172 225354589 /nfs/dbraw/zinc/35/45/89/225354589.db2.gz ZDXXZDJSQCBRSS-QWRGUYRKSA-N 0 3 237.351 0.822 20 0 BCADHN COCCN(C[C@@H]1C[C@H]1C)[C@@H](C)C(N)=O ZINC000488304776 225364105 /nfs/dbraw/zinc/36/41/05/225364105.db2.gz YJAPVFLVCKUSKR-UTLUCORTSA-N 0 3 214.309 0.465 20 0 BCADHN C[C@@H](NC(=O)c1cn(C)cn1)C1=CCN(C)CC1 ZINC000272665333 487647049 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FHDSVLLTGIGLBP-UFFNRZRYSA-N 0 3 248.330 0.976 20 0 BCADHN Cc1cc(CCNC(=O)/C=C/CN(C)C)on1 ZINC000492793136 226053885 /nfs/dbraw/zinc/05/38/85/226053885.db2.gz CZDOUEARYQUDCW-SNAWJCMRSA-N 0 3 237.303 0.760 20 0 BCADHN CN(C)C/C=C\C(=O)N1CC[C@H](OC(F)F)C1 ZINC000492906565 226080658 /nfs/dbraw/zinc/08/06/58/226080658.db2.gz BKIJAMCAQWDJLM-TYRPZCRBSA-N 0 3 248.273 0.944 20 0 BCADHN CO[C@H]1CCCN(C(=O)/C=C\CN(C)C)C1 ZINC000492927187 226083036 /nfs/dbraw/zinc/08/30/36/226083036.db2.gz MYSFMELRDOZGRG-XOIDGJRKSA-N 0 3 226.320 0.742 20 0 BCADHN CN(C)C/C=C/C(=O)N1CC(OCC(F)F)C1 ZINC000492949467 226089777 /nfs/dbraw/zinc/08/97/77/226089777.db2.gz HVGJVJHFGSWOJC-ONEGZZNKSA-N 0 3 248.273 0.597 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@H](CO)C1CC1 ZINC000493324218 226185262 /nfs/dbraw/zinc/18/52/62/226185262.db2.gz QSIWEWAUSPFGTF-PGLGOXFNSA-N 0 3 226.320 0.239 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCN(C)C(C)(C)C1 ZINC000493025393 226107634 /nfs/dbraw/zinc/10/76/34/226107634.db2.gz OPZRNBXRVFNHME-SREVYHEPSA-N 0 3 239.363 0.657 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)/C=C/c2ncc[nH]2)C1 ZINC000493075916 226119492 /nfs/dbraw/zinc/11/94/92/226119492.db2.gz WYIYVBJMOROOKS-MVIFTORASA-N 0 3 248.330 0.976 20 0 BCADHN CN(C)C/C=C\C(=O)NCCOC(=O)C1CC1 ZINC000493097512 226126040 /nfs/dbraw/zinc/12/60/40/226126040.db2.gz XOMMCMQCOBKTAZ-ARJAWSKDSA-N 0 3 240.303 0.174 20 0 BCADHN CN(C)C/C=C\C(=O)N1CC[C@@H](n2cccn2)C1 ZINC000493254902 226167700 /nfs/dbraw/zinc/16/77/00/226167700.db2.gz CXVCSBIGKQVUIL-KTLBGCOUSA-N 0 3 248.330 0.774 20 0 BCADHN CCn1nccc1/C=C\C(=O)N1CCCNCC1 ZINC000493364225 226196009 /nfs/dbraw/zinc/19/60/09/226196009.db2.gz ZTFGWZXMMDDAJK-PLNGDYQASA-N 0 3 248.330 0.738 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)/C=C/c1ncc[nH]1 ZINC000493381967 226201699 /nfs/dbraw/zinc/20/16/99/226201699.db2.gz IJTYRAQSCJMOMW-UFFNRZRYSA-N 0 3 248.330 0.976 20 0 BCADHN CO[C@@H]1CCC[C@H]1NC(=O)/C=C/CN(C)C ZINC000493466571 226224215 /nfs/dbraw/zinc/22/42/15/226224215.db2.gz NPYRICHINFDUQM-GBUKMUNPSA-N 0 3 226.320 0.788 20 0 BCADHN C[C@@H]1[C@@H](C)N(C[C@@H]2CN(C)C(=O)O2)CCN1C ZINC000495656861 226284852 /nfs/dbraw/zinc/28/48/52/226284852.db2.gz ZEANZNMTNWYXEZ-MXWKQRLJSA-N 0 3 241.335 0.461 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H](CO)CC(F)F ZINC000493528914 226239553 /nfs/dbraw/zinc/23/95/53/226239553.db2.gz RVVPWQXLUUGVKM-TUUFMJSCSA-N 0 3 236.262 0.237 20 0 BCADHN COCOCCCNC(=O)/C=C/CN(C)C ZINC000493533325 226240972 /nfs/dbraw/zinc/24/09/72/226240972.db2.gz XCJHACUPBBKCKG-GQCTYLIASA-N 0 3 230.308 0.231 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCCO[C@@H](CF)C1 ZINC000493611479 226245495 /nfs/dbraw/zinc/24/54/95/226245495.db2.gz IEGYBEIUYAVCRO-MZBZXASESA-N 0 3 244.310 0.691 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1cc(CCO)ccn1 ZINC000493649416 226247697 /nfs/dbraw/zinc/24/76/97/226247697.db2.gz TUZLBZSBFYKHFN-ONEGZZNKSA-N 0 3 249.314 0.673 20 0 BCADHN CN(C)C/C=C\C(=O)NCC(C)(C)OCCO ZINC000493749676 226252317 /nfs/dbraw/zinc/25/23/17/226252317.db2.gz GWXUDIHGLAXLHW-WAYWQWQTSA-N 0 3 244.335 0.008 20 0 BCADHN CN(C)C/C=C\C(=O)N1CC[C@@H](O)C1(C)C ZINC000493755956 226252529 /nfs/dbraw/zinc/25/25/29/226252529.db2.gz MJOVBHFJBZXRAS-WWQCOOJYSA-N 0 3 226.320 0.476 20 0 BCADHN CN(C)C/C=C/C(=O)NCC1([S@@](C)=O)CC1 ZINC000493785410 226253938 /nfs/dbraw/zinc/25/39/38/226253938.db2.gz ISIGUMHVZFSUEM-DWTRPJMMSA-N 0 3 244.360 0.132 20 0 BCADHN Cc1ccc(/C=C/C(=O)[N-]OC[C@@H](C)[NH3+])o1 ZINC000493788005 226254265 /nfs/dbraw/zinc/25/42/65/226254265.db2.gz WBHMEURHWQRFTK-HQZHTGGTSA-N 0 3 224.260 0.996 20 0 BCADHN COCCN(C[C@@H](O)CSC)C1CC1 ZINC000494204930 226261898 /nfs/dbraw/zinc/26/18/98/226261898.db2.gz MWAAZYHDOSNWSL-SNVBAGLBSA-N 0 3 219.350 0.821 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCCN1C1CC1)N(C)C ZINC000494243994 226262848 /nfs/dbraw/zinc/26/28/48/226262848.db2.gz FTXRHBWFWJKGSB-PWSUYJOCSA-N 0 3 239.363 0.680 20 0 BCADHN Cn1ccnc1CN[C@H]1CCn2ccnc2C1 ZINC000494447164 226265316 /nfs/dbraw/zinc/26/53/16/226265316.db2.gz YGIWMBOLXJNJIC-JTQLQIEISA-N 0 3 231.303 0.721 20 0 BCADHN CSCC[N@H+](C)CCCOC([O-])=NC(N)=O ZINC000494677416 226268238 /nfs/dbraw/zinc/26/82/38/226268238.db2.gz VGOCLBDVOVMOQS-UHFFFAOYSA-N 0 3 249.336 0.476 20 0 BCADHN CSCC[N@@H+](C)CCCOC([O-])=NC(N)=O ZINC000494677416 226268239 /nfs/dbraw/zinc/26/82/39/226268239.db2.gz VGOCLBDVOVMOQS-UHFFFAOYSA-N 0 3 249.336 0.476 20 0 BCADHN CSCC[N@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000494677416 226268240 /nfs/dbraw/zinc/26/82/40/226268240.db2.gz VGOCLBDVOVMOQS-UHFFFAOYSA-N 0 3 249.336 0.476 20 0 BCADHN CSCC[N@@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000494677416 226268241 /nfs/dbraw/zinc/26/82/41/226268241.db2.gz VGOCLBDVOVMOQS-UHFFFAOYSA-N 0 3 249.336 0.476 20 0 BCADHN C[C@H](NC[C@@H](O)Cn1cccn1)c1cn[nH]c1 ZINC000494686448 226268251 /nfs/dbraw/zinc/26/82/51/226268251.db2.gz RJRGOMXSBVJHEC-GXSJLCMTSA-N 0 3 235.291 0.318 20 0 BCADHN OCCCN(C/C=C\c1ccncc1)CCO ZINC000494976554 226273155 /nfs/dbraw/zinc/27/31/55/226273155.db2.gz QHHYYNBXQJEOQE-IWQZZHSRSA-N 0 3 236.315 0.772 20 0 BCADHN C[C@@H]1CO[C@@H](CO)CN1C[C@@H]1CCSC1 ZINC000494986739 226273929 /nfs/dbraw/zinc/27/39/29/226273929.db2.gz QYEPRZFOPOYDBX-OUAUKWLOSA-N 0 3 231.361 0.821 20 0 BCADHN CN(C)C(=O)O[C@H]1CCN(C[C@H]2CCCO2)C1 ZINC000496509467 226306860 /nfs/dbraw/zinc/30/68/60/226306860.db2.gz ZHTRQCWOGQMGSS-MNOVXSKESA-N 0 3 242.319 0.938 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)NCCOC(N)=O ZINC000496678371 226311385 /nfs/dbraw/zinc/31/13/85/226311385.db2.gz CZEARAWISMBFAT-IUCAKERBSA-N 0 3 243.307 0.485 20 0 BCADHN CN(C)C(=O)O[C@@H]1CCN(CCC(C)(C)O)C1 ZINC000496749100 226313299 /nfs/dbraw/zinc/31/32/99/226313299.db2.gz AVAGXPFSUVNKLD-SNVBAGLBSA-N 0 3 244.335 0.920 20 0 BCADHN CO[C@H](CN1C[C@H](CO)OC(C)(C)C1)C1CC1 ZINC000400190473 226335216 /nfs/dbraw/zinc/33/52/16/226335216.db2.gz ULBYOBMRYRSNCN-VXGBXAGGSA-N 0 3 243.347 0.883 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@H](O)C[C@H](C)C1 ZINC000401684044 226361609 /nfs/dbraw/zinc/36/16/09/226361609.db2.gz AJZKQQRCOQIYKD-IVZWLZJFSA-N 0 3 214.309 0.166 20 0 BCADHN C[C@@H]1CN(C[C@H]2CN(C)C(=O)O2)[C@@H](C)CN1C ZINC000495732717 226287577 /nfs/dbraw/zinc/28/75/77/226287577.db2.gz XSSYPLBLWLUXDZ-OUAUKWLOSA-N 0 3 241.335 0.461 20 0 BCADHN CN(C)C(=O)O[C@H]1CCCN(CCCO)C1 ZINC000496088038 226296323 /nfs/dbraw/zinc/29/63/23/226296323.db2.gz HTMRFHZJJPPGSY-JTQLQIEISA-N 0 3 230.308 0.531 20 0 BCADHN CN(C)C1(C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000668328957 487651612 /nfs/dbraw/zinc/65/16/12/487651612.db2.gz LCRCYZRCIGJONU-JTQLQIEISA-N 0 3 225.336 0.291 20 0 BCADHN CC(C)(C)OCCCN1C[C@H](O)C[C@H](O)C1 ZINC000674909418 487652252 /nfs/dbraw/zinc/65/22/52/487652252.db2.gz MBNJMJKLZFWVSV-PHIMTYICSA-N 0 3 231.336 0.619 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CCNC(=O)OC(C)(C)C ZINC000492748359 533682126 /nfs/dbraw/zinc/68/21/26/533682126.db2.gz NYIXOVAFYBIUAJ-NXEZZACHSA-N 0 3 244.335 0.966 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)[C@H]2CC23CCC3)C1 ZINC000680827403 487653194 /nfs/dbraw/zinc/65/31/94/487653194.db2.gz DAGXYUMFWFHUGV-ZWNOBZJWSA-N 0 3 238.331 0.359 20 0 BCADHN CN1CCC[C@H](NC(=O)CCCF)C1 ZINC000668330691 487653628 /nfs/dbraw/zinc/65/36/28/487653628.db2.gz XJDNDQVKPLFQCN-VIFPVBQESA-N 0 3 202.273 0.947 20 0 BCADHN CCN1CCN(c2ccncc2C(N)=O)C[C@H]1C ZINC000680829847 487654235 /nfs/dbraw/zinc/65/42/35/487654235.db2.gz BQHMLJJDPPCKDI-SNVBAGLBSA-N 0 3 248.330 0.711 20 0 BCADHN COC[C@@H](C)CC(=O)N1CCNCC1(C)C ZINC000087437528 487656986 /nfs/dbraw/zinc/65/69/86/487656986.db2.gz LBQGYMDVCCJTGX-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H]1COC2(CCC2)CN1CC1(CO)COC1 ZINC000661465574 487659492 /nfs/dbraw/zinc/65/94/92/487659492.db2.gz MJWVSOOAMHSPNO-NSHDSACASA-N 0 3 241.331 0.639 20 0 BCADHN Cn1ncnc1N1CC[C@H](N2CCCCC2)C1 ZINC000653465227 487662891 /nfs/dbraw/zinc/66/28/91/487662891.db2.gz XGISWZWXLUHBBK-NSHDSACASA-N 0 3 235.335 0.880 20 0 BCADHN COCC(C)(C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000674973840 487662370 /nfs/dbraw/zinc/66/23/70/487662370.db2.gz LLYSAPKCIVDQLD-SNVBAGLBSA-N 0 3 243.351 0.805 20 0 BCADHN COC[C@H](C)CN[C@H]1CS(=O)(=O)C1(C)C ZINC000895983198 583758355 /nfs/dbraw/zinc/75/83/55/583758355.db2.gz XQMSNCXYACLPKP-BDAKNGLRSA-N 0 3 235.349 0.434 20 0 BCADHN COC[C@@]1(C)CN(C[C@@H](C)CO)CCO1 ZINC000626176539 487665617 /nfs/dbraw/zinc/66/56/17/487665617.db2.gz QTCNHZVZOUJWHV-GHMZBOCLSA-N 0 3 217.309 0.352 20 0 BCADHN Cc1n[nH]cc1CNCC1(N(C)C)CC1 ZINC000397872919 262746987 /nfs/dbraw/zinc/74/69/87/262746987.db2.gz UBSZIDUUMSDVHJ-UHFFFAOYSA-N 0 3 208.309 0.902 20 0 BCADHN CC(C)NCC(=O)N(C)CC1CCOCC1 ZINC000082545453 487670994 /nfs/dbraw/zinc/67/09/94/487670994.db2.gz JTLCWADURVCQHG-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](O)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000557642649 322940452 /nfs/dbraw/zinc/94/04/52/322940452.db2.gz CKGBMZNFHCUHEG-GMTAPVOTSA-N 0 3 226.320 0.452 20 0 BCADHN CC(C)COC[C@H](O)CNC[C@H](O)C(F)F ZINC000232931345 487671869 /nfs/dbraw/zinc/67/18/69/487671869.db2.gz CATLXFZRJFPTSC-BDAKNGLRSA-N 0 3 241.278 0.236 20 0 BCADHN C[C@@H](O)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000557642651 322940539 /nfs/dbraw/zinc/94/05/39/322940539.db2.gz CKGBMZNFHCUHEG-MXWKQRLJSA-N 0 3 226.320 0.452 20 0 BCADHN C[C@H](CO)N(C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459369208 229170155 /nfs/dbraw/zinc/17/01/55/229170155.db2.gz FYZVKGWWHZCHOO-MRVPVSSYSA-N 0 3 237.303 0.872 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCCC(=O)NC ZINC000398429590 262761127 /nfs/dbraw/zinc/76/11/27/262761127.db2.gz ZICKQCDHVDFADE-WPRPVWTQSA-N 0 3 229.324 0.002 20 0 BCADHN Cc1nccc(CNC(=O)/C=C\CN(C)C)n1 ZINC000491645963 229201897 /nfs/dbraw/zinc/20/18/97/229201897.db2.gz SVTRKLJEXKZRLR-PLNGDYQASA-N 0 3 234.303 0.519 20 0 BCADHN COC[C@H](CC(C)C)N[C@@H]1COC[C@H]1O ZINC000308944965 229264267 /nfs/dbraw/zinc/26/42/67/229264267.db2.gz NKPMXSNZGLMWIV-HBNTYKKESA-N 0 3 217.309 0.397 20 0 BCADHN C[C@H]1CC[C@@H](CN(C)[C@@H]2COC[C@H]2O)O1 ZINC000512165701 229334351 /nfs/dbraw/zinc/33/43/51/229334351.db2.gz HSXVMRIUWDLPRA-UKKRHICBSA-N 0 3 215.293 0.245 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1C[C@@H](O)C[C@H]1C ZINC000512420966 229342902 /nfs/dbraw/zinc/34/29/02/229342902.db2.gz GCOSXMVIAYHVBF-AEJSXWLSSA-N 0 3 229.324 0.101 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@H](C)NC ZINC000398605192 262764209 /nfs/dbraw/zinc/76/42/09/262764209.db2.gz MOPQRYMMVKLCIV-DTWKUNHWSA-N 0 3 202.298 0.262 20 0 BCADHN CC(=O)N[C@H](C(=O)NC[C@@H](C)N(C)C)C(C)C ZINC000046274141 487676075 /nfs/dbraw/zinc/67/60/75/487676075.db2.gz NHFRRJZCVYOWMY-KOLCDFICSA-N 0 3 243.351 0.213 20 0 BCADHN Cc1ccc([O-])c(C(=O)NC[C@H](C)[NH3+])c1 ZINC000082573804 487676156 /nfs/dbraw/zinc/67/61/56/487676156.db2.gz BWKAFRZMFKBFRV-QMMMGPOBSA-N 0 3 208.261 0.778 20 0 BCADHN C[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccccc1F ZINC000082574710 487678464 /nfs/dbraw/zinc/67/84/64/487678464.db2.gz YHBFOXIXXOTMHS-SSDOTTSWSA-N 0 3 232.280 0.451 20 0 BCADHN Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCCN(C)C1 ZINC000675226258 487683181 /nfs/dbraw/zinc/68/31/81/487683181.db2.gz JMFFNRBWTQHUSH-SNVBAGLBSA-N 0 3 249.314 0.920 20 0 BCADHN CNC(=O)CCCNC(=O)[C@H](N)CCC(C)C ZINC000637937952 487691481 /nfs/dbraw/zinc/69/14/81/487691481.db2.gz MYWRSPBMLGKSPK-SNVBAGLBSA-N 0 3 243.351 0.392 20 0 BCADHN CN1CCC(NC(=O)Cc2cscn2)CC1 ZINC000082260296 487692363 /nfs/dbraw/zinc/69/23/63/487692363.db2.gz YVGIHVMMWDEEDJ-UHFFFAOYSA-N 0 3 239.344 0.896 20 0 BCADHN CC[C@](C)(N)c1cn([C@@H]2CCC[C@@H]2O)nn1 ZINC000384146457 487694808 /nfs/dbraw/zinc/69/48/08/487694808.db2.gz FTHSIMOONSWMFQ-YWVKMMECSA-N 0 3 224.308 0.948 20 0 BCADHN CNS(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000671698661 487695329 /nfs/dbraw/zinc/69/53/29/487695329.db2.gz IHRYONPKGDCCSQ-ULKQDVFKSA-N 0 3 247.364 0.008 20 0 BCADHN NC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CCC1 ZINC000088051596 487695950 /nfs/dbraw/zinc/69/59/50/487695950.db2.gz PYADJFMRDUNNTD-HLTSFMKQSA-N 0 3 210.277 0.304 20 0 BCADHN COc1nccc(CNC[C@@](C)(O)C2CC2)n1 ZINC000395153140 262766079 /nfs/dbraw/zinc/76/60/79/262766079.db2.gz OWAJMEBCDHKHLJ-GFCCVEGCSA-N 0 3 237.303 0.736 20 0 BCADHN CN(Cc1ccn(C)c(=O)c1)[C@H]1CCCOC1 ZINC000671704348 487698051 /nfs/dbraw/zinc/69/80/51/487698051.db2.gz HYIOUYZSDDRQEU-LBPRGKRZSA-N 0 3 236.315 0.996 20 0 BCADHN CC(C)NC(=O)CN(C)C(=O)[C@@H](N)C1CCC1 ZINC000399070929 262775449 /nfs/dbraw/zinc/77/54/49/262775449.db2.gz LYVGYCNURNWGTN-NSHDSACASA-N 0 3 241.335 0.097 20 0 BCADHN Cc1ocnc1CNC(=O)[C@H](N)C1CCC1 ZINC000399218523 262780015 /nfs/dbraw/zinc/78/00/15/262780015.db2.gz JVZWUXKNKWDCQS-SNVBAGLBSA-N 0 3 223.276 0.727 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1COC(C)(C)C1 ZINC000396552761 262806216 /nfs/dbraw/zinc/80/62/16/262806216.db2.gz TZCZERJMSZFALG-UWVGGRQHSA-N 0 3 249.376 0.967 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1cccnn1 ZINC000527716432 262875234 /nfs/dbraw/zinc/87/52/34/262875234.db2.gz KGWNTRQEQAWDGL-SNVBAGLBSA-N 0 3 234.303 0.691 20 0 BCADHN Cc1cnccc1CN1CC[C@H](O)[C@H](CO)C1 ZINC000528527990 262958133 /nfs/dbraw/zinc/95/81/33/262958133.db2.gz VQLSKUKBKPNFSV-STQMWFEESA-N 0 3 236.315 0.565 20 0 BCADHN CC1(C)CN(C(=O)COCC(F)F)CCN1 ZINC000528771382 262973409 /nfs/dbraw/zinc/97/34/09/262973409.db2.gz XETHDWHHGZOKOJ-UHFFFAOYSA-N 0 3 236.262 0.479 20 0 BCADHN CCN1CCN(Cc2ccn(C)c(=O)c2)[C@H](C)C1 ZINC000671716872 487700749 /nfs/dbraw/zinc/70/07/49/487700749.db2.gz ZLXGXDUOLDJBGZ-GFCCVEGCSA-N 0 3 249.358 0.911 20 0 BCADHN C[C@@H](CO)CN1CCC(N2CCCC2=O)CC1 ZINC000120853920 490069783 /nfs/dbraw/zinc/06/97/83/490069783.db2.gz UNHDJLIQQUFAGT-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN Cc1c[nH]nc1C(=O)NCCN1CCCC1 ZINC000669593907 487702906 /nfs/dbraw/zinc/70/29/06/487702906.db2.gz OYRMSRLYZBKMKG-UHFFFAOYSA-N 0 3 222.292 0.544 20 0 BCADHN CCN1CCN(C[C@H](C)CO)[C@H](C)C1 ZINC000671716467 487703807 /nfs/dbraw/zinc/70/38/07/487703807.db2.gz NXGDBFNHKYJARY-WDEREUQCSA-N 0 3 200.326 0.641 20 0 BCADHN C[C@H](CO)CN1CCC[C@H](N2CCCC2=O)C1 ZINC000120935579 490071853 /nfs/dbraw/zinc/07/18/53/490071853.db2.gz ARWYGMMVABBCQR-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN CCN1C[C@@H](C)[C@@H](NC(=O)Nc2cncnc2)C1 ZINC000681045806 487706239 /nfs/dbraw/zinc/70/62/39/487706239.db2.gz YFRLUUMYVKJPJC-KOLCDFICSA-N 0 3 249.318 0.938 20 0 BCADHN CNC(=O)Cc1ccc(NC(=O)C2(N)CC2)cc1 ZINC000088130016 487707077 /nfs/dbraw/zinc/70/70/77/487707077.db2.gz YKBPRZSCJODUPA-UHFFFAOYSA-N 0 3 247.298 0.405 20 0 BCADHN c1cn([C@@H]2CCCN(CCc3cn[nH]n3)C2)nn1 ZINC000660861918 487708435 /nfs/dbraw/zinc/70/84/35/487708435.db2.gz LUOIYQBDKLFOOT-LLVKDONJSA-N 0 3 247.306 0.276 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)[nH]n1 ZINC000662748398 487708404 /nfs/dbraw/zinc/70/84/04/487708404.db2.gz SBPCTJFADWYFED-HTQZYQBOSA-N 0 3 226.255 0.229 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)n[nH]1 ZINC000662748398 487708407 /nfs/dbraw/zinc/70/84/07/487708407.db2.gz SBPCTJFADWYFED-HTQZYQBOSA-N 0 3 226.255 0.229 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCCCO ZINC000233315404 487709412 /nfs/dbraw/zinc/70/94/12/487709412.db2.gz FIDOUAIJUBXGIU-SNVBAGLBSA-N 0 3 202.298 0.393 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000233315244 487709431 /nfs/dbraw/zinc/70/94/31/487709431.db2.gz HSSGFUPNXJBRPZ-VXGBXAGGSA-N 0 3 241.335 0.228 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000233315266 487709454 /nfs/dbraw/zinc/70/94/54/487709454.db2.gz HSSGFUPNXJBRPZ-NWDGAFQWSA-N 0 3 241.335 0.228 20 0 BCADHN CC1CCC(O)(CNCc2cnnn2C)CC1 ZINC000163333081 487712986 /nfs/dbraw/zinc/71/29/86/487712986.db2.gz MPENSPYHOFETGF-UHFFFAOYSA-N 0 3 238.335 0.846 20 0 BCADHN O=C1C[C@@H](NCc2cccnc2)CCCN1 ZINC000082667238 487712899 /nfs/dbraw/zinc/71/28/99/487712899.db2.gz MHBSWPOXSOGWKX-NSHDSACASA-N 0 3 219.288 0.840 20 0 BCADHN Cn1nccc1CN[C@@H]1CCCNC(=O)C1 ZINC000082667622 487715278 /nfs/dbraw/zinc/71/52/78/487715278.db2.gz ZOTXPXBFSFUYBJ-SECBINFHSA-N 0 3 222.292 0.178 20 0 BCADHN CN(C)CC(C)(C)NC(=O)OC1COC1 ZINC000902943737 584695774 /nfs/dbraw/zinc/69/57/74/584695774.db2.gz VLTJBRFWOBHCBT-UHFFFAOYSA-N 0 3 216.281 0.452 20 0 BCADHN CC[C@H]1CN(C(=O)COC2(C)CNC2)CCO1 ZINC000098060711 487717449 /nfs/dbraw/zinc/71/74/49/487717449.db2.gz CAHQVOVIDJOIAP-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN C[C@H]1C[C@H](C)CN(C(=O)COC2(C)CNC2)C1 ZINC000098060249 487717466 /nfs/dbraw/zinc/71/74/66/487717466.db2.gz SNXZCPSVSJKJCB-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@@H](CO)NC[C@H](O)C(F)(F)F ZINC000082680765 487718345 /nfs/dbraw/zinc/71/83/45/487718345.db2.gz VVYQWASMDNIJJU-WDSKDSINSA-N 0 3 201.188 0.270 20 0 BCADHN COC[C@H](NC(=O)COC1(C)CNC1)C(C)C ZINC000098061477 487719182 /nfs/dbraw/zinc/71/91/82/487719182.db2.gz HFNSBLURUUNEJE-JTQLQIEISA-N 0 3 244.335 0.152 20 0 BCADHN C[C@H]1CN(C(=O)COC2(C)CNC2)CCCO1 ZINC000098061342 487719330 /nfs/dbraw/zinc/71/93/30/487719330.db2.gz GSNPWSLHWYRVHS-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN CC1(OCC(=O)NC[C@@]2(C)CCCO2)CNC1 ZINC000098061375 487719545 /nfs/dbraw/zinc/71/95/45/487719545.db2.gz BSGGYSJLVJHPNH-LLVKDONJSA-N 0 3 242.319 0.050 20 0 BCADHN CN(C)CCN(C)C(=O)CCCCO ZINC000086087076 487719555 /nfs/dbraw/zinc/71/95/55/487719555.db2.gz GOTIIAJTLJLXJM-UHFFFAOYSA-N 0 3 202.298 0.169 20 0 BCADHN CC[C@@H](C)C[C@@H](C)NC(=O)CN1CCNCC1 ZINC000088300437 487719747 /nfs/dbraw/zinc/71/97/47/487719747.db2.gz DOHHHHANXOBMDC-VXGBXAGGSA-N 0 3 241.379 0.833 20 0 BCADHN CC1(OCC(=O)Nc2ccc(F)cn2)CNC1 ZINC000098061590 487720364 /nfs/dbraw/zinc/72/03/64/487720364.db2.gz VQZYDGWEROGFSX-UHFFFAOYSA-N 0 3 239.250 0.538 20 0 BCADHN CCOCCN(CC)C(=O)COC1(C)CNC1 ZINC000098063290 487720673 /nfs/dbraw/zinc/72/06/73/487720673.db2.gz BDDPEFIXVYUPHD-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN C[C@H](CO)CN1CCO[C@]2(CCOC2)C1 ZINC000681098921 487723269 /nfs/dbraw/zinc/72/32/69/487723269.db2.gz XZIMAYHPRMWUAQ-WDEREUQCSA-N 0 3 215.293 0.106 20 0 BCADHN COCCN(C)C(=O)[C@@H]1NCC1(C)C ZINC000308895175 487723341 /nfs/dbraw/zinc/72/33/41/487723341.db2.gz ZLOFLVIUYBXGNG-QMMMGPOBSA-N 0 3 200.282 0.089 20 0 BCADHN CCOCCNC(=O)[C@@H]1NCC1(C)C ZINC000308894072 487723645 /nfs/dbraw/zinc/72/36/45/487723645.db2.gz YVNDIJQKRNCPRC-QMMMGPOBSA-N 0 3 200.282 0.137 20 0 BCADHN C[C@@H](CO)CN1CCO[C@@]2(CCOC2)C1 ZINC000681098919 487723672 /nfs/dbraw/zinc/72/36/72/487723672.db2.gz XZIMAYHPRMWUAQ-MNOVXSKESA-N 0 3 215.293 0.106 20 0 BCADHN NC(=O)c1cccc(CN[C@H](CO)CCF)c1 ZINC000652017564 487726834 /nfs/dbraw/zinc/72/68/34/487726834.db2.gz YKGBLZOJPSRRCU-NSHDSACASA-N 0 3 240.278 0.596 20 0 BCADHN O=C(NCCNc1ccncc1)NC1CC=CC1 ZINC000675428461 487727322 /nfs/dbraw/zinc/72/73/22/487727322.db2.gz HFKVGTGPOAXWTQ-UHFFFAOYSA-N 0 3 246.314 0.933 20 0 BCADHN C[C@H](CNC(=O)C(=O)OC(C)(C)C)N(C)C ZINC000764860393 584930956 /nfs/dbraw/zinc/93/09/56/584930956.db2.gz AOKKIFIKXYSMQA-MRVPVSSYSA-N 0 3 230.308 0.394 20 0 BCADHN CCN(CCO)CCNC(=O)NC1CC=CC1 ZINC000681114905 487730317 /nfs/dbraw/zinc/73/03/17/487730317.db2.gz HJQURMIVUSYJFL-UHFFFAOYSA-N 0 3 241.335 0.318 20 0 BCADHN O[C@@H]1C[C@H](O)CN(CCCC2CCOCC2)C1 ZINC000681111808 487730618 /nfs/dbraw/zinc/73/06/18/487730618.db2.gz SCXGGIGPKVTVHW-BETUJISGSA-N 0 3 243.347 0.621 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)CCOCCO)N(C)C ZINC000669755326 487733887 /nfs/dbraw/zinc/73/38/87/487733887.db2.gz VFLGOHLIKIFZKO-NSHDSACASA-N 0 3 246.351 0.040 20 0 BCADHN COC[C@H](CCNC(=O)[C@@H]1CCCCN1)OC ZINC000662848023 487734255 /nfs/dbraw/zinc/73/42/55/487734255.db2.gz RNXNVDZYHLXLOF-QWRGUYRKSA-N 0 3 244.335 0.296 20 0 BCADHN Cc1nn(C)cc1CN[C@@H](CO)CCF ZINC000652018907 487736997 /nfs/dbraw/zinc/73/69/97/487736997.db2.gz FVQOEUBNHLHWOQ-SNVBAGLBSA-N 0 3 215.272 0.539 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000662851605 487737280 /nfs/dbraw/zinc/73/72/80/487737280.db2.gz YICROYAYXAXARB-UTLUCORTSA-N 0 3 212.293 0.504 20 0 BCADHN CC[C@H]1CN(CCc2c[nH]nn2)[C@@H](C)CO1 ZINC000660912829 487743058 /nfs/dbraw/zinc/74/30/58/487743058.db2.gz NJZDNIHNSGLMEK-ONGXEEELSA-N 0 3 224.308 0.847 20 0 BCADHN C[C@H]1CN(Cc2ccn(C)c(=O)c2)[C@@H](C)CN1C ZINC000678172075 487745481 /nfs/dbraw/zinc/74/54/81/487745481.db2.gz ADGMLCATSSUIPK-RYUDHWBXSA-N 0 3 249.358 0.910 20 0 BCADHN C[C@@H]1CC[C@@H](C)N(C(=O)CN2CCNCC2)C1 ZINC000088705637 487746165 /nfs/dbraw/zinc/74/61/65/487746165.db2.gz DOKZKFZMLMPXIC-VXGBXAGGSA-N 0 3 239.363 0.539 20 0 BCADHN CCc1nc(CN2CCN(CC)[C@@H](C)C2)n[nH]1 ZINC000681210969 487749289 /nfs/dbraw/zinc/74/92/89/487749289.db2.gz PSERLYVUYRWRGF-JTQLQIEISA-N 0 3 237.351 0.893 20 0 BCADHN C[C@@H](NCC(=O)Nc1ccon1)[C@@H]1CCOC1 ZINC000681220835 487750037 /nfs/dbraw/zinc/75/00/37/487750037.db2.gz IZFVQPTVVRSNNP-RKDXNWHRSA-N 0 3 239.275 0.628 20 0 BCADHN CN1CCC(C(=O)NCC2(CO)CC2)CC1 ZINC000675611589 487753230 /nfs/dbraw/zinc/75/32/30/487753230.db2.gz FEPACHPVIYQGJC-UHFFFAOYSA-N 0 3 226.320 0.217 20 0 BCADHN Cc1ccc(C(=O)NCCN2CC[C@@H](C)C2)nn1 ZINC000665749050 487754843 /nfs/dbraw/zinc/75/48/43/487754843.db2.gz KSWMEGZBQNQDPZ-SNVBAGLBSA-N 0 3 248.330 0.857 20 0 BCADHN Cc1c[nH]nc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000669606185 487758988 /nfs/dbraw/zinc/75/89/88/487758988.db2.gz QIPMJDHSTDEAJT-NXEZZACHSA-N 0 3 236.319 0.931 20 0 BCADHN COC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000748565328 585194041 /nfs/dbraw/zinc/19/40/41/585194041.db2.gz QUHUGEYKGWQPSJ-VIFPVBQESA-N 0 3 218.322 0.780 20 0 BCADHN CCN(C[C@H]1CCOC1)C(=O)[C@H](C)NC ZINC000054075590 487761994 /nfs/dbraw/zinc/76/19/94/487761994.db2.gz ICDIYFSTLQFQHO-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN CCO[C@H]1CCCN(C(=O)[C@H](C)NC)C1 ZINC000054076672 487762070 /nfs/dbraw/zinc/76/20/70/487762070.db2.gz AVKGBQCYIVIPJW-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CCn1nccc1C(=O)NC[C@@H](C)N(C)C ZINC000681273918 487766697 /nfs/dbraw/zinc/76/66/97/487766697.db2.gz NDYOPYIFRAZSDS-SECBINFHSA-N 0 3 224.308 0.583 20 0 BCADHN COCCCOCCC(=O)NC[C@@H](C)N(C)C ZINC000666243327 487767641 /nfs/dbraw/zinc/76/76/41/487767641.db2.gz GKEFQUVKKHDFGC-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN CO[C@@H]1CC[C@H](C(=O)NC[C@@H](C)N(C)C)C1 ZINC000666243219 487768045 /nfs/dbraw/zinc/76/80/45/487768045.db2.gz DHFYODFICBGMJP-OUAUKWLOSA-N 0 3 228.336 0.868 20 0 BCADHN CONC(=O)NC[C@@H](C)N1CCCCC1 ZINC000753824692 585270581 /nfs/dbraw/zinc/27/05/81/585270581.db2.gz KEHXTUWWIRYWHU-SECBINFHSA-N 0 3 215.297 0.721 20 0 BCADHN CN(C)CCNC(=S)N[C@]1(C)CCOC1 ZINC000755403160 585299134 /nfs/dbraw/zinc/29/91/34/585299134.db2.gz CTXASIZKRVPULN-SNVBAGLBSA-N 0 3 231.365 0.191 20 0 BCADHN CCOc1nc(C(=O)N(C)CCN(C)C)co1 ZINC000681301472 487772378 /nfs/dbraw/zinc/77/23/78/487772378.db2.gz IUCRQDSTBFIFDV-UHFFFAOYSA-N 0 3 241.291 0.707 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)C(OC)OC ZINC000839765508 585339194 /nfs/dbraw/zinc/33/91/94/585339194.db2.gz WVJRMEANQDWCIU-SECBINFHSA-N 0 3 232.324 0.452 20 0 BCADHN CO[C@H](C)CNC(=O)NCC1=CCN(C)CC1 ZINC000666259444 487773225 /nfs/dbraw/zinc/77/32/25/487773225.db2.gz IIKLCYWXOVZQGN-SNVBAGLBSA-N 0 3 241.335 0.582 20 0 BCADHN CN(C[C@H]1CCCN1C)C(C)(C)C(N)=O ZINC000649619484 487774249 /nfs/dbraw/zinc/77/42/49/487774249.db2.gz PDJNYSZLRDSTRP-SECBINFHSA-N 0 3 213.325 0.276 20 0 BCADHN CC[C@@H](C(=O)N(C)Cc1cn[nH]c1)N(C)C ZINC000675797735 487780473 /nfs/dbraw/zinc/78/04/73/487780473.db2.gz RDAGXDINRZMHNJ-JTQLQIEISA-N 0 3 224.308 0.708 20 0 BCADHN NS(=O)(=O)CCN1CC[C@@H](C2CC2)C1 ZINC000764486962 585466039 /nfs/dbraw/zinc/46/60/39/585466039.db2.gz XFLSGZXQKYJCRR-SECBINFHSA-N 0 3 218.322 0.007 20 0 BCADHN CCN1C[C@H](NC(=O)N[C@H](C)CF)[C@@H](C)C1 ZINC000672935776 487784687 /nfs/dbraw/zinc/78/46/87/487784687.db2.gz HGCFPAPGJPEDNV-AEJSXWLSSA-N 0 3 231.315 0.984 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](C)CN1 ZINC000385558672 487789765 /nfs/dbraw/zinc/78/97/65/487789765.db2.gz OONGQIROQCBKPD-APLZJWDSSA-N 0 3 224.304 0.088 20 0 BCADHN C[C@@H](CNC(=O)C(=O)c1ccc[nH]1)CN(C)C ZINC000296621940 487790729 /nfs/dbraw/zinc/79/07/29/487790729.db2.gz QFEBYKPYIQEWPE-VIFPVBQESA-N 0 3 237.303 0.511 20 0 BCADHN CCCN1CC[C@H](NC(=O)N[C@@H](C)CO)C1 ZINC000666350311 487791541 /nfs/dbraw/zinc/79/15/41/487791541.db2.gz NESZQNFZLGXUIS-UWVGGRQHSA-N 0 3 229.324 0.151 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N1CCS(N)(=O)=O ZINC000772356986 585613155 /nfs/dbraw/zinc/61/31/55/585613155.db2.gz NXJCIZGPEJZBRU-RKDXNWHRSA-N 0 3 220.338 0.538 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000223763488 487792933 /nfs/dbraw/zinc/79/29/33/487792933.db2.gz YUTOLYBTKAAPJZ-GUBZILKMSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@@H](CNCC[C@H](O)C(F)F)S(C)(=O)=O ZINC000634726306 487794653 /nfs/dbraw/zinc/79/46/53/487794653.db2.gz PXWVICVBEPHIRV-BQBZGAKWSA-N 0 3 245.291 0.025 20 0 BCADHN COCC1(NC(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000675962988 487796559 /nfs/dbraw/zinc/79/65/59/487796559.db2.gz KFYZJOCLYWDYTB-SNVBAGLBSA-N 0 3 241.335 0.559 20 0 BCADHN O=C1NCCC[C@@H]1N1CCC[C@H](CCO)C1 ZINC000675963941 487796669 /nfs/dbraw/zinc/79/66/69/487796669.db2.gz NJJXCRFARCWDBW-MNOVXSKESA-N 0 3 226.320 0.359 20 0 BCADHN CON(C)C(=O)CN(C)[C@@H](C)C(C)C ZINC000774551769 585661327 /nfs/dbraw/zinc/66/13/27/585661327.db2.gz YGYBWOPLYVGLCP-VIFPVBQESA-N 0 3 202.298 0.983 20 0 BCADHN NC(=O)NC(=O)CCN[C@@H]1CCC[C@@H]1F ZINC000591767759 487798441 /nfs/dbraw/zinc/79/84/41/487798441.db2.gz GMSAZSVEHGKLER-NKWVEPMBSA-N 0 3 217.244 0.052 20 0 BCADHN Cc1c[nH]nc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000669610269 487799362 /nfs/dbraw/zinc/79/93/62/487799362.db2.gz MPBYQTHBEQUGOO-ONGXEEELSA-N 0 3 248.330 0.931 20 0 BCADHN C[C@@H]1CCCN(C[C@H]2CN(C)C(=O)O2)[C@H]1CO ZINC000496277739 533692520 /nfs/dbraw/zinc/69/25/20/533692520.db2.gz TVSLINIJZNQWFS-MXWKQRLJSA-N 0 3 242.319 0.530 20 0 BCADHN CC1CCN(CCNC(=O)c2ncc[nH]2)CC1 ZINC000666413285 487802750 /nfs/dbraw/zinc/80/27/50/487802750.db2.gz ISDVNSUYIMUKIP-UHFFFAOYSA-N 0 3 236.319 0.871 20 0 BCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncccn1 ZINC000645358268 487819447 /nfs/dbraw/zinc/81/94/47/487819447.db2.gz BXSPJJVACNWVTL-SNVBAGLBSA-N 0 3 249.318 0.033 20 0 BCADHN c1cn(CCN2CC[C@@H](n3cncn3)C2)cn1 ZINC000681602831 487821515 /nfs/dbraw/zinc/82/15/15/487821515.db2.gz FBUXANBQFQUQMZ-LLVKDONJSA-N 0 3 232.291 0.422 20 0 BCADHN Cc1cnn(CCN2CC[C@@H](n3cncn3)C2)c1 ZINC000681604092 487822510 /nfs/dbraw/zinc/82/25/10/487822510.db2.gz LDWYEOVHIBHOCQ-GFCCVEGCSA-N 0 3 246.318 0.730 20 0 BCADHN Cc1c(CN[C@H](C)CCCO)cnn1C ZINC000087358970 525726727 /nfs/dbraw/zinc/72/67/27/525726727.db2.gz SCSHEVGCRLIMSQ-SECBINFHSA-N 0 3 211.309 0.979 20 0 BCADHN CO[C@@]1(C)CCCN(CC2OCCO2)C1 ZINC000791563031 585984142 /nfs/dbraw/zinc/98/41/42/585984142.db2.gz FCYSBZOTVJFWJU-NSHDSACASA-N 0 3 215.293 0.860 20 0 BCADHN CN(CC(C)(C)C)[C@H]1CCC(=O)NC1=O ZINC000799119240 586158724 /nfs/dbraw/zinc/15/87/24/586158724.db2.gz BZOOXEOSNRYOAE-QMMMGPOBSA-N 0 3 212.293 0.770 20 0 BCADHN COC[C@@H]1CCCN1C(=O)N[C@@H](C)CN(C)C ZINC000673186383 487831099 /nfs/dbraw/zinc/83/10/99/487831099.db2.gz PUWKIYPRUADUGB-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN CCNC(=O)CN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000395031134 487831948 /nfs/dbraw/zinc/83/19/48/487831948.db2.gz VFJZARBZNPZYDM-IWSPIJDZSA-N 0 3 200.282 0.278 20 0 BCADHN CC[C@@]1(O)CCN(CC[S@](C)=O)C1 ZINC000828330059 587435308 /nfs/dbraw/zinc/43/53/08/587435308.db2.gz YHGQBEWWFJOESN-RNCFNFMXSA-N 0 3 205.323 0.212 20 0 BCADHN CO[C@@]1(C)CCCN(CC[S@](C)=O)C1 ZINC000828449819 587443064 /nfs/dbraw/zinc/44/30/64/587443064.db2.gz CBLYFKBHBQFBRN-HZMBPMFUSA-N 0 3 219.350 0.866 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cnc2ccccn12 ZINC000676308416 487835547 /nfs/dbraw/zinc/83/55/47/487835547.db2.gz QULXQNZCNFRJNC-VIFPVBQESA-N 0 3 232.287 0.688 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H]1COCC1(C)C ZINC000313070273 322947049 /nfs/dbraw/zinc/94/70/49/322947049.db2.gz YTYRCFJJJIZJFB-ZJUUUORDSA-N 0 3 249.376 0.824 20 0 BCADHN CC(C)N(C)C(=O)CN[C@@H]1COCC1(C)C ZINC000313073896 322947226 /nfs/dbraw/zinc/94/72/26/322947226.db2.gz ZKSIWLVIXVBIOR-SNVBAGLBSA-N 0 3 228.336 0.868 20 0 BCADHN COC/C=C\C(=O)NC(C)(C)CN(C)C ZINC000837245456 587860986 /nfs/dbraw/zinc/86/09/86/587860986.db2.gz INGGZXMZWXHSII-SREVYHEPSA-N 0 3 214.309 0.645 20 0 BCADHN CCO/C=C/C(=O)NCCN1CC[C@H](C)C1 ZINC000493295491 528479375 /nfs/dbraw/zinc/47/93/75/528479375.db2.gz PKQGSNNZKZYYNE-NKLKJHRZSA-N 0 3 226.320 0.995 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CCO[C@H]1C ZINC000842769354 588061372 /nfs/dbraw/zinc/06/13/72/588061372.db2.gz NNVVWDRMWIFCSE-DTWKUNHWSA-N 0 3 216.281 0.163 20 0 BCADHN COC/C(C)=C/C(=O)N[C@@H](C)CN(C)C ZINC000846151630 588258675 /nfs/dbraw/zinc/25/86/75/588258675.db2.gz CIRHULKEKRXEHG-ZKXNXJMVSA-N 0 3 214.309 0.645 20 0 BCADHN CC(C(=O)NC(C)(C)C(F)F)S(C)(=O)=O ZINC000684344186 487839405 /nfs/dbraw/zinc/83/94/05/487839405.db2.gz NCTUAUCBZPHIQL-RXMQYKEDSA-N 0 3 243.275 0.579 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CO)CCF)N(C)C ZINC000652914309 487840528 /nfs/dbraw/zinc/84/05/28/487840528.db2.gz SIVUYYODCMVUFC-RKDXNWHRSA-N 0 3 220.288 0.163 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](CO)CCF)N(C)C ZINC000652914306 487840455 /nfs/dbraw/zinc/84/04/55/487840455.db2.gz SIVUYYODCMVUFC-BDAKNGLRSA-N 0 3 220.288 0.163 20 0 BCADHN CCOC(=O)C(C)(C)CC(=O)NCCN(C)C ZINC000558351056 322948977 /nfs/dbraw/zinc/94/89/77/322948977.db2.gz FAVFERBGCSPXNI-UHFFFAOYSA-N 0 3 244.335 0.644 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCCOC(F)F ZINC000852163847 588668778 /nfs/dbraw/zinc/66/87/78/588668778.db2.gz KOQAQCMBSKPFEV-NKWVEPMBSA-N 0 3 211.208 0.229 20 0 BCADHN CNC(=S)N(C)CC1CCN(C)CC1 ZINC000122469634 589592283 /nfs/dbraw/zinc/59/22/83/589592283.db2.gz RBNBIUJFJFUXLQ-UHFFFAOYSA-N 0 3 215.366 0.764 20 0 BCADHN CCN1CCN(CCN2CCNC2=O)C[C@H]1C ZINC000676379828 487843575 /nfs/dbraw/zinc/84/35/75/487843575.db2.gz RSHUWKBKROSDRN-LLVKDONJSA-N 0 3 240.351 0.038 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1ncnn1C(C)C ZINC000564449915 322950357 /nfs/dbraw/zinc/95/03/57/322950357.db2.gz AEOVFCXPGOYEPU-JTQLQIEISA-N 0 3 239.323 0.459 20 0 BCADHN C[C@@H]1SCCN(C[C@H]2CNCCO2)[C@H]1C ZINC000253085529 487848267 /nfs/dbraw/zinc/84/82/67/487848267.db2.gz ZRXGGYXLDUNPJK-GARJFASQSA-N 0 3 230.377 0.801 20 0 BCADHN CCN(CC(OC)OC)[C@H]1CCOC1 ZINC000308528052 631421957 /nfs/dbraw/zinc/42/19/57/631421957.db2.gz PUFRXRLNUDVONW-VIFPVBQESA-N 0 3 203.282 0.716 20 0 BCADHN CC(C(=O)NC1(C)CC=CC1)S(C)(=O)=O ZINC000654007877 487848621 /nfs/dbraw/zinc/84/86/21/487848621.db2.gz AYYGFXZSYXIGSF-MRVPVSSYSA-N 0 3 231.317 0.644 20 0 BCADHN CN(CCCCO)CC[S@@](=O)C(F)(F)F ZINC000930255567 639664840 /nfs/dbraw/zinc/66/48/40/639664840.db2.gz ZTLCIINLSAGQCM-OAHLLOKOSA-N 0 3 247.282 0.959 20 0 BCADHN CCCCN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594873981 487852304 /nfs/dbraw/zinc/85/23/04/487852304.db2.gz YIERJSQPLOCCGB-ZJUUUORDSA-N 0 3 211.309 0.030 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1nncn1C1CC1 ZINC000645943504 487853558 /nfs/dbraw/zinc/85/35/58/487853558.db2.gz OLHCPVBAIJTBFP-SNVBAGLBSA-N 0 3 249.318 0.227 20 0 BCADHN O=C1NCCC[C@@H]1N1CCC2(CCO2)CC1 ZINC000558626987 322952777 /nfs/dbraw/zinc/95/27/77/322952777.db2.gz KFCKSSPOSHOHBW-JTQLQIEISA-N 0 3 224.304 0.520 20 0 BCADHN COC[C@H](C)NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000668166503 487858474 /nfs/dbraw/zinc/85/84/74/487858474.db2.gz SUYIWALOADVCER-GUBZILKMSA-N 0 3 229.324 0.413 20 0 BCADHN COC[C@H](C)NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000668166504 487859170 /nfs/dbraw/zinc/85/91/70/487859170.db2.gz SUYIWALOADVCER-IVZWLZJFSA-N 0 3 229.324 0.413 20 0 BCADHN CCOC(=O)/C=C\CN(C)[C@H](C)CCO ZINC000930861700 639952822 /nfs/dbraw/zinc/95/28/22/639952822.db2.gz CHEWTICCDKYMGM-WWQCOOJYSA-N 0 3 215.293 0.808 20 0 BCADHN C[C@@H](CN1CCO[C@H](C(N)=O)C1)C(C)(C)C ZINC000670263192 487862335 /nfs/dbraw/zinc/86/23/35/487862335.db2.gz QJVBCDMHGMEGEE-UWVGGRQHSA-N 0 3 228.336 0.855 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCCOCC1CC1 ZINC000645952900 487862771 /nfs/dbraw/zinc/86/27/71/487862771.db2.gz QDQXBDAFNKLHRK-JTQLQIEISA-N 0 3 226.320 0.527 20 0 BCADHN COC[C@H](C)NCCS(=O)(=O)CC1CC1 ZINC000166514834 640644006 /nfs/dbraw/zinc/64/40/06/640644006.db2.gz ARHWFGXXYFDZBK-VIFPVBQESA-N 0 3 235.349 0.436 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC1CC(C)C1 ZINC000668506969 487863218 /nfs/dbraw/zinc/86/32/18/487863218.db2.gz LZOSJYKLJAHJHM-YDYPAMBWSA-N 0 3 233.333 0.187 20 0 BCADHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc[nH]1 ZINC000681786680 487862872 /nfs/dbraw/zinc/86/28/72/487862872.db2.gz QZIOTWAXWJXXQP-GFCCVEGCSA-N 0 3 239.319 0.447 20 0 BCADHN CC(C(=O)N1CCCOC[C@@H]1C)S(C)(=O)=O ZINC000676515666 487863766 /nfs/dbraw/zinc/86/37/66/487863766.db2.gz XNJNINNNKMSNQW-DTWKUNHWSA-N 0 3 249.332 0.057 20 0 BCADHN CN1C[C@H]2CCN(Cc3cnc4n3CCC4)[C@H]2C1 ZINC000668186519 487868800 /nfs/dbraw/zinc/86/88/00/487868800.db2.gz KWEIDMPLJANZMY-YPMHNXCESA-N 0 3 246.358 0.965 20 0 BCADHN OC[C@H]1[C@@H]2CN(Cc3cnn4c3CCC4)C[C@H]12 ZINC000668185261 487868754 /nfs/dbraw/zinc/86/87/54/487868754.db2.gz GZRKTLPXXGBCJC-GDNZZTSVSA-N 0 3 233.315 0.499 20 0 BCADHN COCc1n[nH]c(CN[C@@H]2CSC[C@@H]2C)n1 ZINC000668510768 487869810 /nfs/dbraw/zinc/86/98/10/487869810.db2.gz ZRSNWFHXJKDLOH-JGVFFNPUSA-N 0 3 242.348 0.792 20 0 BCADHN C[C@@H](NCc1cnc2cnccn12)C(C)(C)O ZINC000676556621 487871887 /nfs/dbraw/zinc/87/18/87/487871887.db2.gz USXQEYIPOQWQEI-SECBINFHSA-N 0 3 234.303 0.978 20 0 BCADHN CCn1cncc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651937957 487873689 /nfs/dbraw/zinc/87/36/89/487873689.db2.gz FTXLRKUKNRFKLP-DTORHVGOSA-N 0 3 222.292 0.257 20 0 BCADHN Cc1n[nH]cc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651940671 487876233 /nfs/dbraw/zinc/87/62/33/487876233.db2.gz ZDRHGENLIOTYQN-OTSSQURYSA-N 0 3 208.265 0.072 20 0 BCADHN Cc1nccnc1C(=O)NC[C@H]1CCN(C)C1 ZINC000666911057 487879135 /nfs/dbraw/zinc/87/91/35/487879135.db2.gz NPZJIJLWNFGEIC-SNVBAGLBSA-N 0 3 234.303 0.467 20 0 BCADHN CN1CCO[C@@H]2CCN([C@@H]3CCCOC3)C[C@@H]21 ZINC000671244577 487884610 /nfs/dbraw/zinc/88/46/10/487884610.db2.gz SPWXWLCHXFTIEB-FRRDWIJNSA-N 0 3 240.347 0.570 20 0 BCADHN CCCN1CC[C@H](NC(=O)NC[C@H](C)O)C1 ZINC000666923438 487884866 /nfs/dbraw/zinc/88/48/66/487884866.db2.gz LABAHNZNZAYEGQ-UWVGGRQHSA-N 0 3 229.324 0.151 20 0 BCADHN COC[C@@H](CO)NCc1ccc(CO)cc1 ZINC000229177266 487885952 /nfs/dbraw/zinc/88/59/52/487885952.db2.gz JXEOZFFICLYLCG-GFCCVEGCSA-N 0 3 225.288 0.276 20 0 BCADHN CC1(C)CN(CCCCO)CCN1CCO ZINC000682037348 487886947 /nfs/dbraw/zinc/88/69/47/487886947.db2.gz DHZVXCXSSYMMJW-UHFFFAOYSA-N 0 3 230.352 0.147 20 0 BCADHN CN(C(=O)CN1CCCCC[C@@H]1CO)C1CC1 ZINC000156981864 487887252 /nfs/dbraw/zinc/88/72/52/487887252.db2.gz RFLBLGKIBJUKRW-GFCCVEGCSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](C[C@@H]1CCOC1)NC(=O)C1(N)CC1 ZINC000309494526 487888349 /nfs/dbraw/zinc/88/83/49/487888349.db2.gz SZGOPHDMLOJTTL-BDAKNGLRSA-N 0 3 212.293 0.409 20 0 BCADHN C[C@@H](C[C@@H]1CCOC1)NC(=O)C1(N)CC1 ZINC000309494529 487888396 /nfs/dbraw/zinc/88/83/96/487888396.db2.gz SZGOPHDMLOJTTL-IUCAKERBSA-N 0 3 212.293 0.409 20 0 BCADHN CCN(CC)CC(=O)N(C)C1(CO)CC1 ZINC000673496358 487889930 /nfs/dbraw/zinc/88/99/30/487889930.db2.gz BMWALLVQXYZOJB-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN C[C@@H](C(=O)Nc1ccccc1)n1cc(CN)nn1 ZINC000050224636 487896620 /nfs/dbraw/zinc/89/66/20/487896620.db2.gz JRJPUYLAXFCOHB-VIFPVBQESA-N 0 3 245.286 0.937 20 0 BCADHN NC[C@H](NC(=O)c1ccc(N)cn1)C(F)(F)F ZINC000655516577 487898739 /nfs/dbraw/zinc/89/87/39/487898739.db2.gz WHORQYSUYNOPMK-ZETCQYMHSA-N 0 3 248.208 0.283 20 0 BCADHN C[C@@H]1COCCCN1CCn1cncn1 ZINC000676713324 487900993 /nfs/dbraw/zinc/90/09/93/487900993.db2.gz GBOIAICTYCQNQI-SNVBAGLBSA-N 0 3 210.281 0.389 20 0 BCADHN C[C@@H]1COCCCN1CCN1CCCC1=O ZINC000676713910 487902247 /nfs/dbraw/zinc/90/22/47/487902247.db2.gz SGGVYCIIMVNHFB-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN Cc1ncc(CN(C)CC2CN(C)C2)cn1 ZINC000668537777 487902407 /nfs/dbraw/zinc/90/24/07/487902407.db2.gz OQLBZEDCXVHLSA-UHFFFAOYSA-N 0 3 220.320 0.778 20 0 BCADHN CCN(C)CCNC(=O)NC[C@H]1CCCO1 ZINC000066982550 487903322 /nfs/dbraw/zinc/90/33/22/487903322.db2.gz URIWKWWZYBZYLY-SNVBAGLBSA-N 0 3 229.324 0.416 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NC[C@H](O)CC)C1 ZINC000666920087 487904241 /nfs/dbraw/zinc/90/42/41/487904241.db2.gz MLCJRCWGUPLAFK-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N(C)CCCO)C1 ZINC000666922203 487905554 /nfs/dbraw/zinc/90/55/54/487905554.db2.gz MASLNYYTWTUMPV-LLVKDONJSA-N 0 3 243.351 0.495 20 0 BCADHN CCCNC(=O)[C@H](C)N1CCC[C@H]([C@@H](C)O)C1 ZINC000676721251 487905557 /nfs/dbraw/zinc/90/55/57/487905557.db2.gz OXSUUSQBNWWWNH-TUAOUCFPSA-N 0 3 242.363 0.994 20 0 BCADHN CO[C@H](C)[C@@H](C)NCC(=O)NC1CC1 ZINC000229375033 487907165 /nfs/dbraw/zinc/90/71/65/487907165.db2.gz RJNITSRAUNIOOH-HTQZYQBOSA-N 0 3 200.282 0.278 20 0 BCADHN CN(Cc1cncn1C)CC1CN(C)C1 ZINC000668539907 487906763 /nfs/dbraw/zinc/90/67/63/487906763.db2.gz POBVSXXKZQOCDE-UHFFFAOYSA-N 0 3 208.309 0.414 20 0 BCADHN COC[C@@H](N[C@@H]1COC[C@@H]1O)C(C)C ZINC000083399246 487907008 /nfs/dbraw/zinc/90/70/08/487907008.db2.gz RBTVGTNWVDGKNV-BBBLOLIVSA-N 0 3 203.282 0.007 20 0 BCADHN COC[C@H](N[C@@H]1COC[C@@H]1O)C(C)C ZINC000083399248 487907471 /nfs/dbraw/zinc/90/74/71/487907471.db2.gz RBTVGTNWVDGKNV-AEJSXWLSSA-N 0 3 203.282 0.007 20 0 BCADHN CN(CCCCS(C)(=O)=O)CC1(CO)CC1 ZINC000682089836 487908216 /nfs/dbraw/zinc/90/82/16/487908216.db2.gz IHIJOZQJPCONEA-UHFFFAOYSA-N 0 3 249.376 0.516 20 0 BCADHN CCC[C@H](C)NC(=O)NC[C@H]1CNCCO1 ZINC000668541261 487911369 /nfs/dbraw/zinc/91/13/69/487911369.db2.gz KVWICZSGXKSKOA-VHSXEESVSA-N 0 3 229.324 0.463 20 0 BCADHN CCC[C@@H](C)NC(=O)N1CCN(C)C[C@H]1CN ZINC000668541214 487911285 /nfs/dbraw/zinc/91/12/85/487911285.db2.gz JCUGXDTVGDOYOT-GHMZBOCLSA-N 0 3 242.367 0.459 20 0 BCADHN Cc1cn[nH]c1CN1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000668542445 487914349 /nfs/dbraw/zinc/91/43/49/487914349.db2.gz AMOALSKBQUFQMS-WDEREUQCSA-N 0 3 248.330 0.819 20 0 BCADHN CCNC(=O)CN(C)CC[C@@H]1CCOC1 ZINC000682153145 487915873 /nfs/dbraw/zinc/91/58/73/487915873.db2.gz ZHZDKJOJCLBBMX-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN O=C(C1CCC1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673512896 487924900 /nfs/dbraw/zinc/92/49/00/487924900.db2.gz GFMWKEXBIIBQEW-VXGBXAGGSA-N 0 3 238.331 0.454 20 0 BCADHN CCN(CC)CC(=O)N1CCc2c[nH]nc2C1 ZINC000676827437 487933896 /nfs/dbraw/zinc/93/38/96/487933896.db2.gz BJRNHYYRDFHINH-UHFFFAOYSA-N 0 3 236.319 0.636 20 0 BCADHN COCCNCC(=O)NC[C@@H](C)C1CC1 ZINC000158017072 487935700 /nfs/dbraw/zinc/93/57/00/487935700.db2.gz VGDJRJATZAARBB-SECBINFHSA-N 0 3 214.309 0.385 20 0 BCADHN CCS(=O)(=O)N[C@@H]1CCC[C@H]1N(C)C ZINC000682256688 487935668 /nfs/dbraw/zinc/93/56/68/487935668.db2.gz OGCFQEDCUKIVPN-RKDXNWHRSA-N 0 3 220.338 0.408 20 0 BCADHN C[C@@H](O)CN1CC[C@H](OC(=O)N(C)C)C1 ZINC000495973671 533704068 /nfs/dbraw/zinc/70/40/68/533704068.db2.gz XWQMCSIFZBKFEI-BDAKNGLRSA-N 0 3 216.281 0.140 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CC(C(F)F)C1 ZINC000682360788 487938097 /nfs/dbraw/zinc/93/80/97/487938097.db2.gz SJWGIEAUHJMZGG-QMMMGPOBSA-N 0 3 218.247 0.804 20 0 BCADHN CCO[C@H]1CCCN(C(=O)C2(N)CC2)C1 ZINC000083835575 487941138 /nfs/dbraw/zinc/94/11/38/487941138.db2.gz JZTDKGNXCCXTND-VIFPVBQESA-N 0 3 212.293 0.505 20 0 BCADHN Cc1nnsc1C(=O)N1CCNCC1(C)C ZINC000083842538 487942689 /nfs/dbraw/zinc/94/26/89/487942689.db2.gz GRCOJVRTPNWRRT-UHFFFAOYSA-N 0 3 240.332 0.671 20 0 BCADHN Cc1nccc(CN2CC[C@H](CC(N)=O)C2)n1 ZINC000676887787 487942376 /nfs/dbraw/zinc/94/23/76/487942376.db2.gz LYCSHAQSBFKMIU-SNVBAGLBSA-N 0 3 234.303 0.482 20 0 BCADHN COc1cncc(CN2CC[C@H](CC(N)=O)C2)c1 ZINC000676892410 487942290 /nfs/dbraw/zinc/94/22/90/487942290.db2.gz YVGOQFKNMLNFMH-SNVBAGLBSA-N 0 3 249.314 0.788 20 0 BCADHN CCC(CC)CNC(=O)NC[C@H]1CNCCO1 ZINC000417701866 487948766 /nfs/dbraw/zinc/94/87/66/487948766.db2.gz NDXJVRZQWOHIJV-LLVKDONJSA-N 0 3 243.351 0.710 20 0 BCADHN C[C@H](CO)CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000684626768 487949433 /nfs/dbraw/zinc/94/94/33/487949433.db2.gz AHCWHYPTLDVDLP-AAEUAGOBSA-N 0 3 243.347 0.885 20 0 BCADHN CCN1CCN(c2ncnc3n[nH]cc32)[C@@H](C)C1 ZINC000672325801 487950051 /nfs/dbraw/zinc/95/00/51/487950051.db2.gz QEJGYBCRKZVQJB-VIFPVBQESA-N 0 3 246.318 0.883 20 0 BCADHN CN(CCNC(=O)c1cnc2n1CCC2)C1CC1 ZINC000667158927 487950934 /nfs/dbraw/zinc/95/09/34/487950934.db2.gz NXOGLDPIGVKNSD-UHFFFAOYSA-N 0 3 248.330 0.653 20 0 BCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCCCN1 ZINC000158261412 487951207 /nfs/dbraw/zinc/95/12/07/487951207.db2.gz SMJYTJGCVIWEKL-YTWAJWBKSA-N 0 3 224.304 0.565 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)COC2(C)CNC2)CCO1 ZINC000235428908 487954722 /nfs/dbraw/zinc/95/47/22/487954722.db2.gz JUQUSFVIUJNICT-NXEZZACHSA-N 0 3 242.319 0.049 20 0 BCADHN CCc1nc(CN2CCNC[C@@H]2C(F)F)no1 ZINC000569456092 322966810 /nfs/dbraw/zinc/96/68/10/322966810.db2.gz HBKRSRUVCQRDLJ-SSDOTTSWSA-N 0 3 246.261 0.671 20 0 BCADHN CN(C)CCn1nnnc1S[C@@H]1CCOC1 ZINC000569470800 322967238 /nfs/dbraw/zinc/96/72/38/322967238.db2.gz FAVLLNLRFMASJA-MRVPVSSYSA-N 0 3 243.336 0.116 20 0 BCADHN Cc1nc(CNCCCC(=O)N(C)C)[nH]c1C ZINC000564470210 322969474 /nfs/dbraw/zinc/96/94/74/322969474.db2.gz FPWGOOJEJPSTTB-UHFFFAOYSA-N 0 3 238.335 0.985 20 0 BCADHN FC(F)[C@H]1CNCCN1CC1CCOCC1 ZINC000566230108 322976661 /nfs/dbraw/zinc/97/66/61/322976661.db2.gz IHGVLSSPNHDIQI-SNVBAGLBSA-N 0 3 234.290 0.952 20 0 BCADHN COc1cc(CN(CCO)CCO)ccc1C ZINC000559636521 322978606 /nfs/dbraw/zinc/97/86/06/322978606.db2.gz CJKMDWWHIRWHSK-UHFFFAOYSA-N 0 3 239.315 0.790 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2cnnc(C)c2)C1 ZINC000682423654 487957155 /nfs/dbraw/zinc/95/71/55/487957155.db2.gz DJPFJYFGBKHYDF-BXKDBHETSA-N 0 3 248.330 0.855 20 0 BCADHN CC[C@@H](C)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000560505604 322988849 /nfs/dbraw/zinc/98/88/49/322988849.db2.gz PPKFOEWQVFXGOF-MFKMUULPSA-N 0 3 240.347 0.605 20 0 BCADHN CC(C)CC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000560505677 322988893 /nfs/dbraw/zinc/98/88/93/322988893.db2.gz RYYPSUCPDRUXNI-ZDUSSCGKSA-N 0 3 240.347 0.605 20 0 BCADHN CO[C@H]1CCCN(CC2(CO)COC2)C1 ZINC000151006102 323005056 /nfs/dbraw/zinc/00/50/56/323005056.db2.gz IUCDMDJIYMIYGV-JTQLQIEISA-N 0 3 215.293 0.106 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](C)c1cnn(C)c1 ZINC000125108648 323000597 /nfs/dbraw/zinc/00/05/97/323000597.db2.gz JSAOTGYUOHZCJM-JTQLQIEISA-N 0 3 238.335 0.938 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)CCO ZINC000125859303 323002085 /nfs/dbraw/zinc/00/20/85/323002085.db2.gz SSTGQARAKJJCTA-SECBINFHSA-N 0 3 202.298 0.215 20 0 BCADHN CC[C@@H](C(=O)N1CCN(C(C)C)CC1)N(C)C ZINC000126284228 323003273 /nfs/dbraw/zinc/00/32/73/323003273.db2.gz IYQAOFACFMDNJJ-LBPRGKRZSA-N 0 3 241.379 0.879 20 0 BCADHN CC(C)N[C@H]1CC(=O)N(c2cnn(C)c2)C1=O ZINC000566627852 323008042 /nfs/dbraw/zinc/00/80/42/323008042.db2.gz ZOEOIUBZAWZEHP-VIFPVBQESA-N 0 3 236.275 0.050 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000130141336 323010318 /nfs/dbraw/zinc/01/03/18/323010318.db2.gz KGZWUNIZIKWBEX-LPEHRKFASA-N 0 3 230.308 0.034 20 0 BCADHN Cc1cc(C(=O)NCCN2CC[C@@H](C)C2)cnn1 ZINC000527295783 323013008 /nfs/dbraw/zinc/01/30/08/323013008.db2.gz OCDIQOLPEHXBEM-SNVBAGLBSA-N 0 3 248.330 0.857 20 0 BCADHN CC(C)CN(CCCC(=O)N(C)C)CC(N)=O ZINC000562358265 323017569 /nfs/dbraw/zinc/01/75/69/323017569.db2.gz OAGVNQFHAGIPFV-UHFFFAOYSA-N 0 3 243.351 0.298 20 0 BCADHN CCO[C@@H]1C[C@@H]1NC(=O)CN(C)C(C)C ZINC000562470974 323021147 /nfs/dbraw/zinc/02/11/47/323021147.db2.gz FRPBFPGHWNKOKH-VHSXEESVSA-N 0 3 214.309 0.620 20 0 BCADHN CN1C(=O)C[C@@H](N2CC[C@H](CC3CC3)C2)C1=O ZINC000562512103 323022178 /nfs/dbraw/zinc/02/21/78/323022178.db2.gz ILKRGXWFSVSJKP-GHMZBOCLSA-N 0 3 236.315 0.866 20 0 BCADHN CC[C@H](C(=O)NCC(=O)OC(C)(C)C)N(C)C ZINC000151803008 323028987 /nfs/dbraw/zinc/02/89/87/323028987.db2.gz VHAIDFAMNLCPPO-SECBINFHSA-N 0 3 244.335 0.785 20 0 BCADHN CO[C@@H](C)C(=O)N(CCN(C)C)C(C)C ZINC000151875627 323031811 /nfs/dbraw/zinc/03/18/11/323031811.db2.gz DJXMJOOJLRCHEH-JTQLQIEISA-N 0 3 216.325 0.820 20 0 BCADHN CN(CCC(=O)NCCF)c1ccncc1 ZINC000569668921 323036220 /nfs/dbraw/zinc/03/62/20/323036220.db2.gz JEXNGWDYSMCDOM-UHFFFAOYSA-N 0 3 225.267 0.994 20 0 BCADHN CN(CCNC(=O)NCCCCCO)C1CC1 ZINC000448142667 323036338 /nfs/dbraw/zinc/03/63/38/323036338.db2.gz OGBLSDWLDBGUFU-UHFFFAOYSA-N 0 3 243.351 0.542 20 0 BCADHN CSCCCNC[C@H](C)S(C)(=O)=O ZINC000569687281 323037000 /nfs/dbraw/zinc/03/70/00/323037000.db2.gz QPVCJZREJAEHPA-QMMMGPOBSA-N 0 3 225.379 0.762 20 0 BCADHN C[C@H](O)CNCc1cnc2n1CCCC2 ZINC000569804976 323041230 /nfs/dbraw/zinc/04/12/30/323041230.db2.gz SYVLWAPENYPVCV-VIFPVBQESA-N 0 3 209.293 0.690 20 0 BCADHN CC[C@H](O)CNCc1n[nH]c(C2CC2)n1 ZINC000569837269 323042109 /nfs/dbraw/zinc/04/21/09/323042109.db2.gz KTGADPKAKKBVAT-QMMMGPOBSA-N 0 3 210.281 0.543 20 0 BCADHN CC(=O)NCCN(C)C[C@H]1CCCC[C@H]1O ZINC000569837533 323042144 /nfs/dbraw/zinc/04/21/44/323042144.db2.gz AARSYRFPHHZMMH-VXGBXAGGSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C1(N)CCC1 ZINC000569841185 323042302 /nfs/dbraw/zinc/04/23/02/323042302.db2.gz NXDIKABTEGHIDE-BDAKNGLRSA-N 0 3 241.335 0.287 20 0 BCADHN NCC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000569847754 323042377 /nfs/dbraw/zinc/04/23/77/323042377.db2.gz HPLHQZFLRIDJAI-UHFFFAOYSA-N 0 3 244.298 0.946 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc2nc(C)nn2c1 ZINC000569867567 323042997 /nfs/dbraw/zinc/04/29/97/323042997.db2.gz JXMKROJPXMLFGB-ZETCQYMHSA-N 0 3 233.275 0.584 20 0 BCADHN CC[C@@H](NC(=O)[C@@H]1C[C@@H]1N)[C@H]1CCCO1 ZINC000569983910 323046270 /nfs/dbraw/zinc/04/62/70/323046270.db2.gz HEQYTRVZWPSCFS-UTINFBMNSA-N 0 3 212.293 0.407 20 0 BCADHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(C)(=O)=O ZINC000152705072 323047704 /nfs/dbraw/zinc/04/77/04/323047704.db2.gz JMBBMHMNLYWYSL-GMTAPVOTSA-N 0 3 248.392 0.902 20 0 BCADHN CC1(C(N)=O)CN(CCC2(O)CCC2)C1 ZINC000570042138 323048292 /nfs/dbraw/zinc/04/82/92/323048292.db2.gz FVDSYZHPDYDQKS-UHFFFAOYSA-N 0 3 212.293 0.099 20 0 BCADHN C[C@@H](NCc1cn(CC(N)=O)nn1)C(C)(C)C ZINC000570051481 323048918 /nfs/dbraw/zinc/04/89/18/323048918.db2.gz UJGHCHLMBOFINW-MRVPVSSYSA-N 0 3 239.323 0.288 20 0 BCADHN NC1(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000570079952 323049340 /nfs/dbraw/zinc/04/93/40/323049340.db2.gz XEBZYFVNKQEZCU-UHFFFAOYSA-N 0 3 247.298 0.598 20 0 BCADHN CO[C@H](CN)C(=O)Nc1scnc1C1CC1 ZINC000572750392 323051795 /nfs/dbraw/zinc/05/17/95/323051795.db2.gz PIGBXUVPQGJTDB-SSDOTTSWSA-N 0 3 241.316 0.933 20 0 BCADHN COC[C@@H](C)CN(C)[C@@H]1CCN(C)C1=O ZINC000570205051 323052873 /nfs/dbraw/zinc/05/28/73/323052873.db2.gz XANQUPWNUXNNTO-VHSXEESVSA-N 0 3 214.309 0.431 20 0 BCADHN CC(C)NCC(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000570225374 323053627 /nfs/dbraw/zinc/05/36/27/323053627.db2.gz HZCHBIQDSOEPOZ-SNVBAGLBSA-N 0 3 244.335 0.688 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H](C)CCO ZINC000154224531 323055964 /nfs/dbraw/zinc/05/59/64/323055964.db2.gz GQQMETGYSFFYBL-JTQLQIEISA-N 0 3 216.325 0.463 20 0 BCADHN CC(C)N(CC(N)=O)C[C@H]1CCCC[C@@H]1O ZINC000570353958 323057115 /nfs/dbraw/zinc/05/71/15/323057115.db2.gz IIEIKUSLEMOLNT-MNOVXSKESA-N 0 3 228.336 0.733 20 0 BCADHN NCCC(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000570393193 323058219 /nfs/dbraw/zinc/05/82/19/323058219.db2.gz ROFWHLYVZJVTPP-UHFFFAOYSA-N 0 3 239.300 0.949 20 0 BCADHN COC(=O)[C@H](NC(=O)CNC(C)C)C1CC1 ZINC000570410855 323059009 /nfs/dbraw/zinc/05/90/09/323059009.db2.gz JXXVBWDYRNKDFK-SNVBAGLBSA-N 0 3 228.292 0.052 20 0 BCADHN C[C@H]1CCN(CC(=O)N2C[C@@H](O)C(C)(C)C2)C1 ZINC000570582353 323063985 /nfs/dbraw/zinc/06/39/85/323063985.db2.gz UHNAEPYQVBMVSA-WDEREUQCSA-N 0 3 240.347 0.558 20 0 BCADHN O=C1[C@@H](NCC2(O)CCC2)C[C@@H]2CCCCN12 ZINC000570626240 323065076 /nfs/dbraw/zinc/06/50/76/323065076.db2.gz AYLIKEBWQQDFKD-QWRGUYRKSA-N 0 3 238.331 0.644 20 0 BCADHN CNC(=O)c1cccc(CNC(=O)[C@H](C)NC)c1 ZINC000570644324 323065814 /nfs/dbraw/zinc/06/58/14/323065814.db2.gz FHABYNIFVNUXSJ-VIFPVBQESA-N 0 3 249.314 0.270 20 0 BCADHN CN(Cc1ccccc1)C(=O)CNCCC(N)=O ZINC000570710297 323068170 /nfs/dbraw/zinc/06/81/70/323068170.db2.gz SBUWKAJVINVBBK-UHFFFAOYSA-N 0 3 249.314 0.110 20 0 BCADHN OCc1ccnc(N2CC[C@@H](N3CCCC3)C2)n1 ZINC000570896190 323073656 /nfs/dbraw/zinc/07/36/56/323073656.db2.gz ZLCNLZLUNOFBMQ-GFCCVEGCSA-N 0 3 248.330 0.643 20 0 BCADHN CN1CCC[C@H]1CNC(=O)c1cccnc1 ZINC000082278863 323075118 /nfs/dbraw/zinc/07/51/18/323075118.db2.gz ASYYPAIYMMFLLN-NSHDSACASA-N 0 3 219.288 0.906 20 0 BCADHN Cn1cc(C(=O)NC[C@@H]2CCCN2C)cn1 ZINC000082279296 323075190 /nfs/dbraw/zinc/07/51/90/323075190.db2.gz BMTCSJFBCKPKTK-JTQLQIEISA-N 0 3 222.292 0.244 20 0 BCADHN CC1(C)CCN(CC(=O)N2CC(CO)C2)C1 ZINC000570940397 323075951 /nfs/dbraw/zinc/07/59/51/323075951.db2.gz RWUVNKQVKPFBID-UHFFFAOYSA-N 0 3 226.320 0.169 20 0 BCADHN CN[C@@H](C)C(=O)N1CCN(CC(F)F)CC1 ZINC000570941307 323076102 /nfs/dbraw/zinc/07/61/02/323076102.db2.gz KSRPMUZYTTYLHE-QMMMGPOBSA-N 0 3 235.278 0.004 20 0 BCADHN C[C@@H](O)[C@H](C)NCc1n[nH]c(C2CC2)n1 ZINC000562998865 323078943 /nfs/dbraw/zinc/07/89/43/323078943.db2.gz SMXMSFFYCFHXHW-NKWVEPMBSA-N 0 3 210.281 0.541 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000567771566 323081217 /nfs/dbraw/zinc/08/12/17/323081217.db2.gz JAUYPVDIHPGMHD-VHSXEESVSA-N 0 3 236.319 0.853 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000567771565 323081236 /nfs/dbraw/zinc/08/12/36/323081236.db2.gz JAUYPVDIHPGMHD-NXEZZACHSA-N 0 3 236.319 0.853 20 0 BCADHN CC1(C(N)=O)CN(CCC2CCOCC2)C1 ZINC000563067316 323084289 /nfs/dbraw/zinc/08/42/89/323084289.db2.gz GOIITZULMAWFJQ-UHFFFAOYSA-N 0 3 226.320 0.610 20 0 BCADHN C[C@@H](N[C@@H](CO)CC(F)(F)F)[C@H](C)O ZINC000563138869 323095068 /nfs/dbraw/zinc/09/50/68/323095068.db2.gz VUPXXJDKKSXRRH-DSYKOEDSSA-N 0 3 215.215 0.659 20 0 BCADHN CC[C@@H](N)C(=O)NC(C)(C)CCC(=O)OC ZINC000563157314 323096452 /nfs/dbraw/zinc/09/64/52/323096452.db2.gz DQZHDSWYBOOFOL-MRVPVSSYSA-N 0 3 230.308 0.572 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)Nc1nnc(C)n1C ZINC000563160805 323097493 /nfs/dbraw/zinc/09/74/93/323097493.db2.gz QDONBADUSFFKSU-SVRRBLITSA-N 0 3 225.296 0.435 20 0 BCADHN NCC(=O)NCCC[C@@H]1CCCCO1 ZINC000563161137 323097620 /nfs/dbraw/zinc/09/76/20/323097620.db2.gz RHVDYPFIWQLHHI-VIFPVBQESA-N 0 3 200.282 0.411 20 0 BCADHN CN(C)CCN(C)C(=O)c1cn2cccnc2n1 ZINC000531490522 323098574 /nfs/dbraw/zinc/09/85/74/323098574.db2.gz DUFMSHGAGLMQBQ-UHFFFAOYSA-N 0 3 247.302 0.363 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)c1nnc(C)o1 ZINC000531592617 323109829 /nfs/dbraw/zinc/10/98/29/323109829.db2.gz DWXCQNIZVAHBJH-MRVPVSSYSA-N 0 3 240.307 0.897 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H]1CO ZINC000533972129 323112457 /nfs/dbraw/zinc/11/24/57/323112457.db2.gz YRAXZDRLALAWDZ-SDDRHHMPSA-N 0 3 240.347 0.843 20 0 BCADHN COCCN1CC[C@@H](NC(=O)NCCCF)C1 ZINC000531768538 323113097 /nfs/dbraw/zinc/11/30/97/323113097.db2.gz UTAWMBVAVQXMQL-SNVBAGLBSA-N 0 3 247.314 0.366 20 0 BCADHN CN(CCn1ccnc1)CCN1CCCC1=O ZINC000534298617 323115690 /nfs/dbraw/zinc/11/56/90/323115690.db2.gz CKXJCOBDESRGQE-UHFFFAOYSA-N 0 3 236.319 0.437 20 0 BCADHN CCN1CCN(CCCc2cncn2C)CC1 ZINC000563357506 323119516 /nfs/dbraw/zinc/11/95/16/323119516.db2.gz TXYNISJBRZJKNM-UHFFFAOYSA-N 0 3 236.363 0.990 20 0 BCADHN CN[C@H]1CC(=O)N([C@H](C)c2cccnc2)C1=O ZINC000563348275 323119966 /nfs/dbraw/zinc/11/99/66/323119966.db2.gz IVYNDLINIDAXOP-SCZZXKLOSA-N 0 3 233.271 0.490 20 0 BCADHN CC1(C)CCN(CC(=O)N2CC(CCO)C2)C1 ZINC000563388411 323122318 /nfs/dbraw/zinc/12/23/18/323122318.db2.gz JZPUIXSDJMCGQL-UHFFFAOYSA-N 0 3 240.347 0.559 20 0 BCADHN CN(CC1CCC1)C(=O)NC[C@H]1CNCCO1 ZINC000563610091 323131466 /nfs/dbraw/zinc/13/14/66/323131466.db2.gz ZXLHDNKXCUYGCN-LLVKDONJSA-N 0 3 241.335 0.416 20 0 BCADHN CC(=O)N1CC(NCc2ccc3[nH]cnc3c2)C1 ZINC000563635118 323132891 /nfs/dbraw/zinc/13/28/91/323132891.db2.gz GBIIWTFEKVAQNX-UHFFFAOYSA-N 0 3 244.298 0.883 20 0 BCADHN CC(=O)N1CC(NCc2ccc3nc[nH]c3c2)C1 ZINC000563635118 323132892 /nfs/dbraw/zinc/13/28/92/323132892.db2.gz GBIIWTFEKVAQNX-UHFFFAOYSA-N 0 3 244.298 0.883 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cnc2n[nH]c(C)c2c1 ZINC000571078675 323135021 /nfs/dbraw/zinc/13/50/21/323135021.db2.gz ULNXTAXSYXOWOZ-VIFPVBQESA-N 0 3 249.274 0.179 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cnc2n[nH]c(C)c2c1 ZINC000571078666 323135058 /nfs/dbraw/zinc/13/50/58/323135058.db2.gz ULNXTAXSYXOWOZ-SECBINFHSA-N 0 3 249.274 0.179 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000571088748 323135476 /nfs/dbraw/zinc/13/54/76/323135476.db2.gz HXQSJIMIAMSUML-BDAKNGLRSA-N 0 3 241.335 0.239 20 0 BCADHN O=C1NCC[C@H]1CCN1CCOC[C@@H]1C1CC1 ZINC000571222781 323138400 /nfs/dbraw/zinc/13/84/00/323138400.db2.gz YCJDUROYVPBRRG-NWDGAFQWSA-N 0 3 238.331 0.623 20 0 BCADHN O=C1NCC[C@@H]1CCN1CCOC[C@@H]1C1CC1 ZINC000571222783 323138483 /nfs/dbraw/zinc/13/84/83/323138483.db2.gz YCJDUROYVPBRRG-VXGBXAGGSA-N 0 3 238.331 0.623 20 0 BCADHN CNC(=O)[C@H](C)CN(C)CC1(F)CC1 ZINC000571256433 323139412 /nfs/dbraw/zinc/13/94/12/323139412.db2.gz WDUDWAJTBRVFQW-MRVPVSSYSA-N 0 3 202.273 0.802 20 0 BCADHN COC[C@H](N[C@@H]1COC[C@H]1O)C(C)C ZINC000251345949 323140772 /nfs/dbraw/zinc/14/07/72/323140772.db2.gz RBTVGTNWVDGKNV-IVZWLZJFSA-N 0 3 203.282 0.007 20 0 BCADHN FC1(F)CCN(C[C@@H]2CNCCO2)CC1 ZINC000259414707 323146584 /nfs/dbraw/zinc/14/65/84/323146584.db2.gz IKCRIZFBYZVJJU-VIFPVBQESA-N 0 3 220.263 0.706 20 0 BCADHN CC(C)OC[C@@H](O)CN[C@@H](CO)CC(F)F ZINC000571522704 323146794 /nfs/dbraw/zinc/14/67/94/323146794.db2.gz CTAHOBPEKCKHHF-BDAKNGLRSA-N 0 3 241.278 0.378 20 0 BCADHN CC(C)OC[C@H](O)CN[C@@H](CO)CC(F)F ZINC000571522721 323146821 /nfs/dbraw/zinc/14/68/21/323146821.db2.gz CTAHOBPEKCKHHF-RKDXNWHRSA-N 0 3 241.278 0.378 20 0 BCADHN COC[C@H](C)CN[C@@H](C)c1nncn1C ZINC000163310005 323150153 /nfs/dbraw/zinc/15/01/53/323150153.db2.gz TWJMCUFMMZJZLF-BDAKNGLRSA-N 0 3 212.297 0.748 20 0 BCADHN C[C@H](CN[C@@H]1CCCC[C@H]1O)S(C)(=O)=O ZINC000571642929 323150689 /nfs/dbraw/zinc/15/06/89/323150689.db2.gz VJCUGUNRRCFLIV-OPRDCNLKSA-N 0 3 235.349 0.313 20 0 BCADHN CSC[C@@H](CCO)NC[C@@H](O)C(F)(F)F ZINC000571643025 323150691 /nfs/dbraw/zinc/15/06/91/323150691.db2.gz XNSLEZIVDJNVFJ-RNFRBKRXSA-N 0 3 247.282 0.613 20 0 BCADHN O=C(NCCNc1ccncc1)NCC1CC1 ZINC000534524608 323153082 /nfs/dbraw/zinc/15/30/82/323153082.db2.gz JVELDPCBILTTIU-UHFFFAOYSA-N 0 3 234.303 0.625 20 0 BCADHN Cc1cc(NC(=O)N[C@H]2CCN(C)C2)no1 ZINC000048909472 323155930 /nfs/dbraw/zinc/15/59/30/323155930.db2.gz QSDBLAPAQQCLMR-QMMMGPOBSA-N 0 3 224.264 0.809 20 0 BCADHN CC(C)NC(=O)NC(=O)[C@H](C)N(C)CC1CC1 ZINC000049238063 323159321 /nfs/dbraw/zinc/15/93/21/323159321.db2.gz SHMPNJNJDCAZQV-VIFPVBQESA-N 0 3 241.335 0.951 20 0 BCADHN CC(C)N(C)CC(=O)NCc1ccnn1C ZINC000049399172 323160172 /nfs/dbraw/zinc/16/01/72/323160172.db2.gz ZQCRZTMUHHAPKE-UHFFFAOYSA-N 0 3 224.308 0.377 20 0 BCADHN CN(CCCF)CCN1CCCC1=O ZINC000531968693 323160234 /nfs/dbraw/zinc/16/02/34/323160234.db2.gz YGBWWVYSNAIIBI-UHFFFAOYSA-N 0 3 202.273 0.900 20 0 BCADHN CCN(CC)CC(=O)N1CCC(CCO)CC1 ZINC000534703919 323160249 /nfs/dbraw/zinc/16/02/49/323160249.db2.gz DKYSOPLAGHRLGP-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN CN1CC[C@@H](C(=O)NCC(=O)C(C)(C)C)C1 ZINC000534947952 323162309 /nfs/dbraw/zinc/16/23/09/323162309.db2.gz BPYYWINYTHTEDT-SECBINFHSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccccc1CO ZINC000304738858 323165043 /nfs/dbraw/zinc/16/50/43/323165043.db2.gz STTZCESEZYVOJI-VIFPVBQESA-N 0 3 222.288 0.532 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@H]([C@@H](C)O)C1 ZINC000305168831 323168325 /nfs/dbraw/zinc/16/83/25/323168325.db2.gz ITXKSAXFFBPEME-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@H]([C@@H](C)O)C1 ZINC000305225597 323168617 /nfs/dbraw/zinc/16/86/17/323168617.db2.gz KNFVPFGEHSXXGO-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CCCCN(C)CCNC(=O)CNC(=O)OC ZINC000112309641 323168964 /nfs/dbraw/zinc/16/89/64/323168964.db2.gz NXUFHHVAFKCTMR-UHFFFAOYSA-N 0 3 245.323 0.191 20 0 BCADHN O[C@H]1CCCN(CCOC[C@@H]2CCCO2)C1 ZINC000112684387 323171680 /nfs/dbraw/zinc/17/16/80/323171680.db2.gz BXURINSNNSQAJG-RYUDHWBXSA-N 0 3 229.320 0.639 20 0 BCADHN Cc1n[nH]cc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000112827132 323172305 /nfs/dbraw/zinc/17/23/05/323172305.db2.gz KDNDMGBTKZYFRE-SECBINFHSA-N 0 3 236.319 0.932 20 0 BCADHN COC[C@H](N[C@@H]1CCNC1=O)C(C)C ZINC000308595889 323176126 /nfs/dbraw/zinc/17/61/26/323176126.db2.gz MMPZHGCZUAWWOP-BDAKNGLRSA-N 0 3 200.282 0.136 20 0 BCADHN CCO[C@@H]1C[C@@H]1N[C@@H](C)CC(=O)NC ZINC000308625250 323176359 /nfs/dbraw/zinc/17/63/59/323176359.db2.gz VRZJXTSSXMNDIQ-XHNCKOQMSA-N 0 3 200.282 0.278 20 0 BCADHN C[N@H+](CCC(N)=O)Cc1ncccc1[O-] ZINC000563844407 323180577 /nfs/dbraw/zinc/18/05/77/323180577.db2.gz XCTOBQOGRDUXRV-UHFFFAOYSA-N 0 3 209.249 0.094 20 0 BCADHN C[C@@H]1CN(CC[C@@H]2CCNC2=O)[C@H](C)CO1 ZINC000563856311 323181089 /nfs/dbraw/zinc/18/10/89/323181089.db2.gz TZUZUSBRMXUAIZ-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1CC(O)C[C@@H](C)N1CCOCCO ZINC000191142959 323184876 /nfs/dbraw/zinc/18/48/76/323184876.db2.gz QJAUKMSBNFNWMO-NXEZZACHSA-N 0 3 217.309 0.229 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)[C@@H](C)NC2CC2)C1 ZINC000394983537 323184946 /nfs/dbraw/zinc/18/49/46/323184946.db2.gz AJCKWQLYACUDHV-DVVUODLYSA-N 0 3 226.320 0.811 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)[C@@H](C)NC2CC2)C1 ZINC000394983543 323184953 /nfs/dbraw/zinc/18/49/53/323184953.db2.gz AJCKWQLYACUDHV-FBIMIBRVSA-N 0 3 226.320 0.811 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@@H]2CCCO2)C1 ZINC000536545795 323186243 /nfs/dbraw/zinc/18/62/43/323186243.db2.gz MFIKNHCQJRFYIV-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN COCCCN1CCC(N2CCNC2=O)CC1 ZINC000052217499 323192717 /nfs/dbraw/zinc/19/27/17/323192717.db2.gz VMUDHKKJAOQSCZ-UHFFFAOYSA-N 0 3 241.335 0.513 20 0 BCADHN COC(=O)CCN1CCC[C@@H]1CC(=O)OC ZINC000114728607 323195971 /nfs/dbraw/zinc/19/59/71/323195971.db2.gz RDEBIGSNNYUJQN-SECBINFHSA-N 0 3 229.276 0.577 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)ncn1 ZINC000536183808 323196428 /nfs/dbraw/zinc/19/64/28/323196428.db2.gz LYTKDZOESFUPHK-MNOVXSKESA-N 0 3 248.330 0.998 20 0 BCADHN N[C@H](C(=O)NCc1cccc(CO)c1)C1CCC1 ZINC000399250225 323201869 /nfs/dbraw/zinc/20/18/69/323201869.db2.gz XKUWNIKDZMUBRU-ZDUSSCGKSA-N 0 3 248.326 0.923 20 0 BCADHN CC[C@H](COC)N[C@@H](C)C(=O)N(C)C ZINC000070623880 323205135 /nfs/dbraw/zinc/20/51/35/323205135.db2.gz KZPBWPIABMQESR-DTWKUNHWSA-N 0 3 202.298 0.478 20 0 BCADHN O=C(NCCN1CCCC1)c1ccn[nH]1 ZINC000042399576 323247902 /nfs/dbraw/zinc/24/79/02/323247902.db2.gz JJIQZFUVXZLCRC-UHFFFAOYSA-N 0 3 208.265 0.235 20 0 BCADHN CCN1CCN(C(=O)[C@H](C)N2CCCC2)CC1 ZINC000043304406 323274977 /nfs/dbraw/zinc/27/49/77/323274977.db2.gz GCAGUBIVOAHIFA-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN O=C(NCCCF)N[C@H]1CCN(C2CC2)C1 ZINC000532618136 323278838 /nfs/dbraw/zinc/27/88/38/323278838.db2.gz GPEQRFJQTBILLZ-VIFPVBQESA-N 0 3 229.299 0.882 20 0 BCADHN CC(C)[C@@H](N)c1cn(CCn2cccn2)nn1 ZINC000302325589 487957603 /nfs/dbraw/zinc/95/76/03/487957603.db2.gz KEVFAGWBZHYMJP-LLVKDONJSA-N 0 3 234.307 0.831 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)Cc2cnccn2)C1 ZINC000563986575 323339034 /nfs/dbraw/zinc/33/90/34/323339034.db2.gz UDXVVMJAXCIGFU-LLVKDONJSA-N 0 3 248.330 0.777 20 0 BCADHN C[C@@H]1CC[C@]2(CCN([C@@H]3CC(=O)NC3=O)C2)C1 ZINC000565158908 323345103 /nfs/dbraw/zinc/34/51/03/323345103.db2.gz VZYMWXQFHFPQCG-BREBYQMCSA-N 0 3 236.315 0.914 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000309393771 323371242 /nfs/dbraw/zinc/37/12/42/323371242.db2.gz GGQCMIKIBGAXDV-JXUBOQSCSA-N 0 3 214.309 0.796 20 0 BCADHN C[C@@H](NCC[C@H]1CCOC1)c1ncnn1C ZINC000309514709 323421898 /nfs/dbraw/zinc/42/18/98/323421898.db2.gz YIAKLWMZAWPRIG-ZJUUUORDSA-N 0 3 224.308 0.892 20 0 BCADHN COC[C@](C)(O)CNCc1cnccc1C ZINC000309644651 323441728 /nfs/dbraw/zinc/44/17/28/323441728.db2.gz LXEFPLKEDYAJQV-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)CCN(C)C2=O ZINC000083886263 487957767 /nfs/dbraw/zinc/95/77/67/487957767.db2.gz ZQMIDXYEBICODL-MRVPVSSYSA-N 0 3 247.298 0.600 20 0 BCADHN CO[C@@H]1CCC[C@H]1NC[C@@H](C)S(C)(=O)=O ZINC000571790980 323481429 /nfs/dbraw/zinc/48/14/29/323481429.db2.gz KSCYJEFAYWTWDZ-OPRDCNLKSA-N 0 3 235.349 0.577 20 0 BCADHN Cc1cccc2nc(CCNC(=O)CN)cn21 ZINC000083887940 487958840 /nfs/dbraw/zinc/95/88/40/487958840.db2.gz LPELMPXNEOKQDJ-UHFFFAOYSA-N 0 3 232.287 0.260 20 0 BCADHN CC[C@@H](N)C(=O)Nc1nc2cccnc2n1C ZINC000571918157 323507880 /nfs/dbraw/zinc/50/78/80/323507880.db2.gz MNXVYGQNXYYGLR-SSDOTTSWSA-N 0 3 233.275 0.644 20 0 BCADHN CC1(NC(=O)NC[C@@H]2CNCCO2)CCC1 ZINC000571985084 323517067 /nfs/dbraw/zinc/51/70/67/323517067.db2.gz WGYMTJKUKVKKKE-VIFPVBQESA-N 0 3 227.308 0.217 20 0 BCADHN CCCN[C@@H](C)C(=O)N(C)c1cnn(C)c1 ZINC000572118485 323542311 /nfs/dbraw/zinc/54/23/11/323542311.db2.gz PNPYWKKEHGYUDB-VIFPVBQESA-N 0 3 224.308 0.771 20 0 BCADHN Cc1cncn1CC(=O)NCCn1ccnc1C ZINC000528317093 323796672 /nfs/dbraw/zinc/79/66/72/323796672.db2.gz HCEMMFJPXFDZFB-UHFFFAOYSA-N 0 3 247.302 0.513 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC000669955160 487961446 /nfs/dbraw/zinc/96/14/46/487961446.db2.gz QEOGQUIMGRTLRL-MWLCHTKSSA-N 0 3 249.314 0.857 20 0 BCADHN CN(CCO)CCC(=O)NC1CCCC1 ZINC000060468878 324036753 /nfs/dbraw/zinc/03/67/53/324036753.db2.gz RPTGWVWAKJFDOU-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN Cc1cccnc1C(=O)N1CCN(C)C[C@H]1CN ZINC000122604527 324050529 /nfs/dbraw/zinc/05/05/29/324050529.db2.gz LFPOASZVIJGPDS-LLVKDONJSA-N 0 3 248.330 0.105 20 0 BCADHN CSC[C@H](C)C(=O)NCCOCCN(C)C ZINC000537545429 324078381 /nfs/dbraw/zinc/07/83/81/324078381.db2.gz SAYJOMZROQVUTG-JTQLQIEISA-N 0 3 248.392 0.680 20 0 BCADHN Cc1occc1C(=O)NCCOCCN(C)C ZINC000537545276 324078438 /nfs/dbraw/zinc/07/84/38/324078438.db2.gz KKWYZAHOBVHKOZ-UHFFFAOYSA-N 0 3 240.303 0.896 20 0 BCADHN CN(C)CCOCCNC(=O)C1CCCC1 ZINC000537545091 324078568 /nfs/dbraw/zinc/07/85/68/324078568.db2.gz ALVHDXKKIGNSEK-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN COC[C@](C)(O)CNCc1cccc2nccn21 ZINC000537655726 324093712 /nfs/dbraw/zinc/09/37/12/324093712.db2.gz GRRMUIYUQTZCGU-CYBMUJFWSA-N 0 3 249.314 0.821 20 0 BCADHN COC[C@@](C)(O)CNCc1cccc2nccn21 ZINC000537655727 324093823 /nfs/dbraw/zinc/09/38/23/324093823.db2.gz GRRMUIYUQTZCGU-ZDUSSCGKSA-N 0 3 249.314 0.821 20 0 BCADHN COC[C@H](C)N[C@H](C)CCS(C)(=O)=O ZINC000123290154 324107254 /nfs/dbraw/zinc/10/72/54/324107254.db2.gz VIWYXNADVDPEHK-BDAKNGLRSA-N 0 3 223.338 0.434 20 0 BCADHN CC(C)n1ccc(CNC(=O)[C@@H]2C[C@@H]2N)n1 ZINC000572511184 324137652 /nfs/dbraw/zinc/13/76/52/324137652.db2.gz WSAJJOUUEKZUQN-ZJUUUORDSA-N 0 3 222.292 0.427 20 0 BCADHN Cc1cc(NC(=O)[C@@H](N)C2CCC2)n[nH]1 ZINC000399048689 487962533 /nfs/dbraw/zinc/96/25/33/487962533.db2.gz UHTSPESKDKOQNT-VIFPVBQESA-N 0 3 208.265 0.784 20 0 BCADHN CCN(CC(=O)NC[C@H]1CCCN1C)C1CC1 ZINC000152560397 324186613 /nfs/dbraw/zinc/18/66/13/324186613.db2.gz RISHUZJAIBXBPG-GFCCVEGCSA-N 0 3 239.363 0.681 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H](N(C)C)C1)N1CC(C)C1 ZINC000565181358 324205828 /nfs/dbraw/zinc/20/58/28/324205828.db2.gz NQUXQZZYWDSTCN-VXGBXAGGSA-N 0 3 239.363 0.489 20 0 BCADHN CCC[C@@](C)(N)C(=O)Nc1cncnc1 ZINC000232089107 324209115 /nfs/dbraw/zinc/20/91/15/324209115.db2.gz VPCXJKKEDFSOGC-SNVBAGLBSA-N 0 3 208.265 0.933 20 0 BCADHN CC[C@@H](C)[C@H](NC(=O)[C@@H](C)N)C(=O)OC ZINC000037044922 324227232 /nfs/dbraw/zinc/22/72/32/324227232.db2.gz UEWPOYCHGCGVJS-PRJMDXOYSA-N 0 3 216.281 0.038 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cccnn1 ZINC000529054273 324239246 /nfs/dbraw/zinc/23/92/46/324239246.db2.gz PKUJIZFWHDAIGY-UHFFFAOYSA-N 0 3 234.303 0.643 20 0 BCADHN C[C@@H]1[C@H](C(=O)N[C@H](CO)CN(C)C)[C@H]1C1CC1 ZINC000529387997 324284301 /nfs/dbraw/zinc/28/43/01/324284301.db2.gz NLEAFKFAMXPLMJ-IXLVHKGHSA-N 0 3 240.347 0.317 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)c3cccnn3)C[C@@H]21 ZINC000529453548 324303189 /nfs/dbraw/zinc/30/31/89/324303189.db2.gz RCGPQRLKJYJWPP-KOLCDFICSA-N 0 3 232.287 0.253 20 0 BCADHN CC[C@@H](C(=O)NCc1cnn(CC)n1)N(C)C ZINC000529588756 324354095 /nfs/dbraw/zinc/35/40/95/324354095.db2.gz OSJPXXAKCLSPHO-JTQLQIEISA-N 0 3 239.323 0.254 20 0 BCADHN C[C@@H](O)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000529720649 324389939 /nfs/dbraw/zinc/38/99/39/324389939.db2.gz VJTFLIYJVHLWRU-PWSUYJOCSA-N 0 3 240.347 0.890 20 0 BCADHN Cc1ccncc1CNC[C@@H]1COCCN1 ZINC000530247558 324557781 /nfs/dbraw/zinc/55/77/81/324557781.db2.gz WPAXZOBOEUQKQO-GFCCVEGCSA-N 0 3 221.304 0.468 20 0 BCADHN CS[C@H](C)C(=O)NCCOCCN(C)C ZINC000538649944 324721774 /nfs/dbraw/zinc/72/17/74/324721774.db2.gz MJXAWVOVKMJSIY-SECBINFHSA-N 0 3 234.365 0.432 20 0 BCADHN Cc1nc(C(=O)NCC2=CCN(C)CC2)co1 ZINC000669958841 487965838 /nfs/dbraw/zinc/96/58/38/487965838.db2.gz BYGBPFMSVDEICO-UHFFFAOYSA-N 0 3 235.287 0.975 20 0 BCADHN CCOCCN1CCN(CC(C)(C)O)CC1 ZINC000070557910 325015649 /nfs/dbraw/zinc/01/56/49/325015649.db2.gz WOYUKMQHXXZJMW-UHFFFAOYSA-N 0 3 230.352 0.411 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000130141554 325017107 /nfs/dbraw/zinc/01/71/07/325017107.db2.gz KGZWUNIZIKWBEX-KXUCPTDWSA-N 0 3 230.308 0.034 20 0 BCADHN C[C@@H](N[C@H]1CCO[C@H]1C)C(=O)N(C)C ZINC000130483899 325057293 /nfs/dbraw/zinc/05/72/93/325057293.db2.gz FQVKNLPNCCZKJU-VGMNWLOBSA-N 0 3 200.282 0.230 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)C2(C)COC2)C1 ZINC000542964532 325065894 /nfs/dbraw/zinc/06/58/94/325065894.db2.gz MHLJUZGGAWIQQI-SNVBAGLBSA-N 0 3 226.320 0.481 20 0 BCADHN OCC1(CN2CCOCC3(CC3)C2)COC1 ZINC000542987309 325066606 /nfs/dbraw/zinc/06/66/06/325066606.db2.gz ZJUHHLOTTREERK-UHFFFAOYSA-N 0 3 227.304 0.108 20 0 BCADHN CCCNC(=O)CN[C@H]1CCCC[C@H]1C(N)=O ZINC000130723444 325082163 /nfs/dbraw/zinc/08/21/63/325082163.db2.gz OUKJKMMEKJVAQS-ZJUUUORDSA-N 0 3 241.335 0.146 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@]2(C)CCOC2)C1 ZINC000543587106 325095826 /nfs/dbraw/zinc/09/58/26/325095826.db2.gz ITUOILIADGGRIS-WCQYABFASA-N 0 3 240.347 0.871 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H](C)[C@H](C)CO)N(C)C ZINC000131181117 325123581 /nfs/dbraw/zinc/12/35/81/325123581.db2.gz DTNMIDYHGGCRAN-MXWKQRLJSA-N 0 3 230.352 0.706 20 0 BCADHN CCN(C)C(=O)CCN(CC(N)=O)C(C)(C)C ZINC000131293501 325135238 /nfs/dbraw/zinc/13/52/38/325135238.db2.gz FZAPXWHJOAUIEG-UHFFFAOYSA-N 0 3 243.351 0.441 20 0 BCADHN CNC(=O)NC(=O)CN1C[C@@H]2CCC[C@H]2C1 ZINC000152629766 325146223 /nfs/dbraw/zinc/14/62/23/325146223.db2.gz NZLRQWUMNJZGAJ-IUCAKERBSA-N 0 3 225.292 0.174 20 0 BCADHN C[C@]1(CO)CCCN1CC(=O)NC1CC1 ZINC000544761915 325159196 /nfs/dbraw/zinc/15/91/96/325159196.db2.gz XXOASWDMWMWLNW-LLVKDONJSA-N 0 3 212.293 0.112 20 0 BCADHN NC(=O)c1cnccc1NCCN1CCCC1 ZINC000545159442 325180757 /nfs/dbraw/zinc/18/07/57/325180757.db2.gz KNTFRWMOJBBKDZ-UHFFFAOYSA-N 0 3 234.303 0.110 20 0 BCADHN CN1CC=C(CNc2ccncc2C(N)=O)CC1 ZINC000545164195 325181669 /nfs/dbraw/zinc/18/16/69/325181669.db2.gz QIXJZLCZMOYMPI-UHFFFAOYSA-N 0 3 246.314 0.276 20 0 BCADHN CN(C)[C@@H](CNC(N)=O)c1ccccc1 ZINC000073357527 325196731 /nfs/dbraw/zinc/19/67/31/325196731.db2.gz RVQLSXJDLBDVAG-JTQLQIEISA-N 0 3 207.277 0.958 20 0 BCADHN C[C@@H](O)CCN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132180212 325203356 /nfs/dbraw/zinc/20/33/56/325203356.db2.gz PZZWRLBVQSXFIO-VWYCJHECSA-N 0 3 249.376 0.703 20 0 BCADHN CC(C)N(C)CC(=O)NCc1ccc[nH]1 ZINC000074121565 325227079 /nfs/dbraw/zinc/22/70/79/325227079.db2.gz DCESVLOYILHURQ-UHFFFAOYSA-N 0 3 209.293 0.971 20 0 BCADHN CC[C@@H](C(=O)N(C)CCCOC)N(C)C ZINC000132725591 325241818 /nfs/dbraw/zinc/24/18/18/325241818.db2.gz HLXNKPXGADQLEG-JTQLQIEISA-N 0 3 216.325 0.822 20 0 BCADHN CN1CCC[C@H](N2CCC(C)(CO)CC2)C1=O ZINC000545879708 325241864 /nfs/dbraw/zinc/24/18/64/325241864.db2.gz FYJLZYOHYMBXCU-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN CN(CCOC[C@H]1CCCO1)C1CC(O)C1 ZINC000546094576 325264412 /nfs/dbraw/zinc/26/44/12/325264412.db2.gz DUMLBOMZFWLZRI-HTAVTVPLSA-N 0 3 229.320 0.637 20 0 BCADHN COC(=O)C[C@@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000133331866 325287176 /nfs/dbraw/zinc/28/71/76/325287176.db2.gz PHCWEDPQXWZZQM-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN COCCCN(C)CCNC(=O)N1CCCC1 ZINC000075493679 325298064 /nfs/dbraw/zinc/29/80/64/325298064.db2.gz TVBJFCRNOFDIEB-UHFFFAOYSA-N 0 3 243.351 0.760 20 0 BCADHN CN(CCN(C)C1CC1)c1nccn2nnnc12 ZINC000546732223 325306920 /nfs/dbraw/zinc/30/69/20/325306920.db2.gz FEQHMDWLVJNSNV-UHFFFAOYSA-N 0 3 247.306 0.050 20 0 BCADHN CCCN1CCN([C@@H](CC)CO)CC1 ZINC000075958660 325323720 /nfs/dbraw/zinc/32/37/20/325323720.db2.gz IXZYILLPGIYERW-NSHDSACASA-N 0 3 200.326 0.785 20 0 BCADHN CO[C@H]1CCCN([C@H](C)C(=O)N(C)C)C1 ZINC000076497976 325347308 /nfs/dbraw/zinc/34/73/08/325347308.db2.gz FMRZRTBSQXOGLN-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN COCCOCCCCNCc1ccn(C)n1 ZINC000134289006 325352449 /nfs/dbraw/zinc/35/24/49/325352449.db2.gz KWIVWQHUGJTWGH-UHFFFAOYSA-N 0 3 241.335 0.953 20 0 BCADHN CC(C)(CO)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000547542566 325371449 /nfs/dbraw/zinc/37/14/49/325371449.db2.gz DDJJDROWIIJVSX-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC[C@H]1CCCCO1 ZINC000134732981 325374157 /nfs/dbraw/zinc/37/41/57/325374157.db2.gz ZCAZFIGOZZBJMB-WDEREUQCSA-N 0 3 249.376 0.968 20 0 BCADHN CCC(=O)N1CCCN(CCC(=O)NC)CC1 ZINC000077390332 325376815 /nfs/dbraw/zinc/37/68/15/325376815.db2.gz AYATVUUSNDDZKQ-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN CCN(CC)C(=O)NC[C@H](C)N(C)C ZINC000136052976 325439474 /nfs/dbraw/zinc/43/94/74/325439474.db2.gz JFRCMPLQGSZDBF-VIFPVBQESA-N 0 3 201.314 0.988 20 0 BCADHN CC(C)[C@@H]1CCCN1C(=O)CN1CCNCC1 ZINC000083936817 487967711 /nfs/dbraw/zinc/96/77/11/487967711.db2.gz FZQVKGZFXFAITN-LBPRGKRZSA-N 0 3 239.363 0.539 20 0 BCADHN CN[C@@H](C)C(=O)N[C@](C)(C(=O)OC)C1CC1 ZINC000564350263 325455900 /nfs/dbraw/zinc/45/59/00/325455900.db2.gz LPDABZDKFSOBOP-CPCISQLKSA-N 0 3 228.292 0.052 20 0 BCADHN CCc1nocc1CNC[C@H](O)[C@H]1CCOC1 ZINC000550156054 325525057 /nfs/dbraw/zinc/52/50/57/325525057.db2.gz IPDYBJPYSMYGIX-CABZTGNLSA-N 0 3 240.303 0.724 20 0 BCADHN COC[C@@H](NCC(=O)N1CCCC1)C(C)C ZINC000083399825 325566679 /nfs/dbraw/zinc/56/66/79/325566679.db2.gz VNEBAOOMCWLBCM-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](N)C(=O)NCc1cccnc1N1CCCC1 ZINC000083928470 487968809 /nfs/dbraw/zinc/96/88/09/487968809.db2.gz OEPQATCLBMVRAM-JTQLQIEISA-N 0 3 248.330 0.645 20 0 BCADHN C[C@@H](N[C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)N(C)C ZINC000556289794 325790664 /nfs/dbraw/zinc/79/06/64/325790664.db2.gz RYXYXUDACQNHEL-ZYUZMQFOSA-N 0 3 214.309 0.619 20 0 BCADHN COCCNCCNC(=O)Nc1ccccn1 ZINC000667307959 487970074 /nfs/dbraw/zinc/97/00/74/487970074.db2.gz SZFHHLQBRDXHDN-UHFFFAOYSA-N 0 3 238.291 0.439 20 0 BCADHN C[C@@H](NC[C@H](C)O)C(=O)N1CCCC[C@@H]1C ZINC000564443258 325793159 /nfs/dbraw/zinc/79/31/59/325793159.db2.gz KIKPXQZFZCMZRO-GARJFASQSA-N 0 3 228.336 0.746 20 0 BCADHN CCC[C@H](O)[C@@H](CO)NC[C@H](O)C(F)(F)F ZINC000564729425 325805511 /nfs/dbraw/zinc/80/55/11/325805511.db2.gz QMPQDKHUAXNIRA-CSMHCCOUSA-N 0 3 245.241 0.021 20 0 BCADHN Cc1noc([C@H](C)NC(=O)C2(N)CCC2)n1 ZINC000564914455 325825648 /nfs/dbraw/zinc/82/56/48/325825648.db2.gz YBOKKQLORMPKLQ-LURJTMIESA-N 0 3 224.264 0.437 20 0 BCADHN Cc1ccn(C)c(=O)c1NC(=O)[C@H](C)NC1CC1 ZINC000564991677 325842430 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223.232 0.155 20 0 BCADHN C[C@@H](N)C(=O)N(C)[C@H](CC(N)=O)c1ccccc1 ZINC000566249696 326024088 /nfs/dbraw/zinc/02/40/88/326024088.db2.gz DKHCNPLANJAQGM-MWLCHTKSSA-N 0 3 249.314 0.409 20 0 BCADHN CNC(=O)CCCN1CC[C@@H](OCCOC)C1 ZINC000566415719 326042550 /nfs/dbraw/zinc/04/25/50/326042550.db2.gz IROKAVNXPUAWTO-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN CCN1CCCN(C(=O)C(C)(C)CO)CC1 ZINC000566436599 326046824 /nfs/dbraw/zinc/04/68/24/326046824.db2.gz CNBVAEIWSHOJQX-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN CC[C@@](C)(CO)C(=O)N1CCN(C)CC[C@H]1C ZINC000566441190 326047740 /nfs/dbraw/zinc/04/77/40/326047740.db2.gz AZIBRXAAERYFMB-YPMHNXCESA-N 0 3 242.363 0.948 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C(C)(C)CO)CCN1C ZINC000566445065 326049129 /nfs/dbraw/zinc/04/91/29/326049129.db2.gz NCUNJAZKMSEDJO-VHSXEESVSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H]1C[C@@H](Nc2cc(=O)n(C)cn2)CN1C1CC1 ZINC000566482105 326055870 /nfs/dbraw/zinc/05/58/70/326055870.db2.gz KHSFQOHGLDNUFG-VHSXEESVSA-N 0 3 248.330 0.817 20 0 BCADHN N[C@H]1C[C@@H]2CN(Cc3ccccc3)CCN2C1=O ZINC000566491381 326058026 /nfs/dbraw/zinc/05/80/26/326058026.db2.gz SOCGYPOKWCGMNB-OLZOCXBDSA-N 0 3 245.326 0.430 20 0 BCADHN CC(C)NCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000566507451 326059988 /nfs/dbraw/zinc/05/99/88/326059988.db2.gz BTIXCCQKUCVIIL-LLVKDONJSA-N 0 3 226.320 0.622 20 0 BCADHN NCC(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000566620953 326068869 /nfs/dbraw/zinc/06/88/69/326068869.db2.gz LHQSFDYNRAFFFF-SNVBAGLBSA-N 0 3 212.293 0.363 20 0 BCADHN Cc1nccn1CCNC(=O)CC(F)(F)CN ZINC000566627182 326069626 /nfs/dbraw/zinc/06/96/26/326069626.db2.gz ICKPYDHEEBNXPN-UHFFFAOYSA-N 0 3 246.261 0.292 20 0 BCADHN CN(C)CCNC(=O)c1conc1C(C)(C)N ZINC000566631296 326070576 /nfs/dbraw/zinc/07/05/76/326070576.db2.gz VKWRUNLZOJPQHM-UHFFFAOYSA-N 0 3 240.307 0.160 20 0 BCADHN CC(C)N1CC[C@H](N(C)C(=O)C(C)(C)CO)C1 ZINC000566688721 326074629 /nfs/dbraw/zinc/07/46/29/326074629.db2.gz JASGNPTYFMUUAZ-NSHDSACASA-N 0 3 242.363 0.946 20 0 BCADHN CC(=O)[C@](C)(O)CN1CC[C@@H](OC(C)C)C1 ZINC000566736110 326077975 /nfs/dbraw/zinc/07/79/75/326077975.db2.gz VMBNMLQIZZGUGO-VXGBXAGGSA-N 0 3 229.320 0.826 20 0 BCADHN CC[C@H](SC)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000566812297 326085709 /nfs/dbraw/zinc/08/57/09/326085709.db2.gz DBNFOYSXDMHLQG-GUBZILKMSA-N 0 3 246.376 0.261 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)CNC2CC2)C[C@H](C)O1 ZINC000566858994 326088716 /nfs/dbraw/zinc/08/87/16/326088716.db2.gz YHUNCFGUCBNCBV-DOFRTFSJSA-N 0 3 226.320 0.811 20 0 BCADHN COC(=O)[C@@H](O)CNC[C@@H](O)C1CCCCC1 ZINC000566914865 326093844 /nfs/dbraw/zinc/09/38/44/326093844.db2.gz BOPUDMRJNWCWKB-MNOVXSKESA-N 0 3 245.319 0.051 20 0 BCADHN O=C(NCCc1nnc[n-]1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000567052431 326107224 /nfs/dbraw/zinc/10/72/24/326107224.db2.gz AWIVFIUVJWLJNR-SNVBAGLBSA-N 0 3 249.318 0.090 20 0 BCADHN O=C(NCCc1nnc[n-]1)[C@H]1CCC[N@H+]1C1CC1 ZINC000567052431 326107226 /nfs/dbraw/zinc/10/72/26/326107226.db2.gz AWIVFIUVJWLJNR-SNVBAGLBSA-N 0 3 249.318 0.090 20 0 BCADHN O=C(NCCc1nnc[nH]1)[C@H]1CCCN1C1CC1 ZINC000567052431 326107229 /nfs/dbraw/zinc/10/72/29/326107229.db2.gz AWIVFIUVJWLJNR-SNVBAGLBSA-N 0 3 249.318 0.090 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc(C(=O)OC)n(C)c1 ZINC000567060854 326109000 /nfs/dbraw/zinc/10/90/00/326109000.db2.gz FBRXYNVGLHTJTH-ZETCQYMHSA-N 0 3 239.275 0.358 20 0 BCADHN O=C(Nc1ccncc1[O-])[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655609329 487971615 /nfs/dbraw/zinc/97/16/15/487971615.db2.gz OIGWROPVQRYYFS-RNCFNFMXSA-N 0 3 247.298 0.537 20 0 BCADHN Cc1cc(NC(=O)CNCC2CC2)cn(C)c1=O ZINC000567232336 326147272 /nfs/dbraw/zinc/14/72/72/326147272.db2.gz QJFJXWSCBANVCT-UHFFFAOYSA-N 0 3 249.314 0.632 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N[C@@H]1C[C@@H](O)C1(C)C ZINC000567246870 326149517 /nfs/dbraw/zinc/14/95/17/326149517.db2.gz XTGJQMXNKJLNIN-HBNTYKKESA-N 0 3 242.363 0.991 20 0 BCADHN CC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000154594235 326152260 /nfs/dbraw/zinc/15/22/60/326152260.db2.gz MKYCCKKIADYTIY-NSHDSACASA-N 0 3 214.309 0.576 20 0 BCADHN C[C@@H](CNC(=O)CNC1CC1)Cn1ccnc1 ZINC000154632797 326154674 /nfs/dbraw/zinc/15/46/74/326154674.db2.gz MOVUJOQEZMAUSL-JTQLQIEISA-N 0 3 236.319 0.387 20 0 BCADHN CCN(CC)CCNC(=O)C1CC(=O)C1 ZINC000154860934 326168081 /nfs/dbraw/zinc/16/80/81/326168081.db2.gz ZSGARTSPHHSAKK-UHFFFAOYSA-N 0 3 212.293 0.424 20 0 BCADHN CCN(CC)CC(=O)N(C)CCCC(=O)NC ZINC000154961155 326176282 /nfs/dbraw/zinc/17/62/82/326176282.db2.gz BUBUVOFMBZOYQV-UHFFFAOYSA-N 0 3 243.351 0.313 20 0 BCADHN CC[C@H](COC)NC(=O)[C@H](CC)N(C)C ZINC000155123950 326186242 /nfs/dbraw/zinc/18/62/42/326186242.db2.gz KPSRPWRHGUPXNI-ZJUUUORDSA-N 0 3 216.325 0.868 20 0 BCADHN CNC(=O)CCCN(C)[C@H](C)C(=O)NC1CC1 ZINC000155122456 326186469 /nfs/dbraw/zinc/18/64/69/326186469.db2.gz JWQSZDBJUUKYKK-SECBINFHSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@H](C(=O)NC[C@H](C)N1CCCC1)[C@@H](C)O ZINC000567480616 326201277 /nfs/dbraw/zinc/20/12/77/326201277.db2.gz DYKQXKROAFIPPQ-TUAOUCFPSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1nc(C(C)C)ccc1CNC(CO)CO ZINC000567484442 326202136 /nfs/dbraw/zinc/20/21/36/326202136.db2.gz NTFCEOGOKDRHDB-UHFFFAOYSA-N 0 3 238.331 0.956 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1CC[C@H](CO)C1 ZINC000156210024 326222454 /nfs/dbraw/zinc/22/24/54/326222454.db2.gz FLIPLLGHFQNAFD-MNOVXSKESA-N 0 3 228.336 0.556 20 0 BCADHN Cc1nc(C)c(C(=O)N2CCCNCC2)nc1C ZINC000567610987 326228446 /nfs/dbraw/zinc/22/84/46/326228446.db2.gz AFJPHKHQCCSCEX-UHFFFAOYSA-N 0 3 248.330 0.837 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C[C@H](C)n1ccnc1 ZINC000567620283 326230590 /nfs/dbraw/zinc/23/05/90/326230590.db2.gz XLQNSPOAJXDCAZ-QWRGUYRKSA-N 0 3 238.335 0.901 20 0 BCADHN C[C@H](C(=O)N1CC(O)C1)N1CCCCCC1 ZINC000156484195 326233920 /nfs/dbraw/zinc/23/39/20/326233920.db2.gz DLZQLQYGJYRKHW-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN CC1(C)[C@H](NC(=O)[C@@H]2C[C@@H]2N)[C@H]2CCCO[C@H]21 ZINC000567660881 326240154 /nfs/dbraw/zinc/24/01/54/326240154.db2.gz FMCMHSYUMXHAMI-KAMPLNKDSA-N 0 3 238.331 0.653 20 0 BCADHN CN1C[C@@H]2CCCN(Cc3nncn3C)[C@@H]2C1 ZINC000567723891 326250621 /nfs/dbraw/zinc/25/06/21/326250621.db2.gz XMXZUCDFMCSLOT-WDEREUQCSA-N 0 3 235.335 0.341 20 0 BCADHN CC(C)NC(=O)NCCN1CCCN(C)CC1 ZINC000567729812 326252462 /nfs/dbraw/zinc/25/24/62/326252462.db2.gz DHOZFPKMGXBMPX-UHFFFAOYSA-N 0 3 242.367 0.332 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cn2ccccc2n1 ZINC000567747466 326254405 /nfs/dbraw/zinc/25/44/05/326254405.db2.gz KDPNIKNAFOKSFK-SNVBAGLBSA-N 0 3 232.287 0.688 20 0 BCADHN O=C1C[C@@H](N2CC[C@H](C3CC3)C2)C(=O)N1 ZINC000567748157 326254970 /nfs/dbraw/zinc/25/49/70/326254970.db2.gz LVZJRLSDGOFQKW-DTWKUNHWSA-N 0 3 208.261 0.133 20 0 BCADHN CNCC(=O)Nc1ccc2nc(C)nn2c1 ZINC000567825788 326264688 /nfs/dbraw/zinc/26/46/88/326264688.db2.gz FDTNMOKZAWPNLO-UHFFFAOYSA-N 0 3 219.248 0.196 20 0 BCADHN CCN(CC)CC(=O)N[C@@]1(C)CCOC1 ZINC000157304831 326267026 /nfs/dbraw/zinc/26/70/26/326267026.db2.gz YSSADILUPDNIKE-NSHDSACASA-N 0 3 214.309 0.623 20 0 BCADHN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1cscn1 ZINC000567850610 326270445 /nfs/dbraw/zinc/27/04/45/326270445.db2.gz QLWOXVVWKQRZHQ-LURJTMIESA-N 0 3 235.334 0.159 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CCC(=O)C1 ZINC000567939016 326285744 /nfs/dbraw/zinc/28/57/44/326285744.db2.gz NXWUATNHIKZJPJ-VIFPVBQESA-N 0 3 212.293 0.424 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000567907080 326281105 /nfs/dbraw/zinc/28/11/05/326281105.db2.gz ZVTJSLOZTDQQPZ-SNVBAGLBSA-N 0 3 235.287 0.770 20 0 BCADHN CCn1ccc(C(=O)NCC2(N(C)C)CC2)n1 ZINC000567957908 326288506 /nfs/dbraw/zinc/28/85/06/326288506.db2.gz SKMHSHMQFBRKBG-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H]2OCC[C@@H]2C1)N(C)C ZINC000567964182 326288714 /nfs/dbraw/zinc/28/87/14/326288714.db2.gz GHCCRBMBUHHDFL-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN COCCNCCNC(=O)C[C@@H](C)SC ZINC000567983010 326291012 /nfs/dbraw/zinc/29/10/12/326291012.db2.gz GCTXCZVGXLMVGN-SECBINFHSA-N 0 3 234.365 0.480 20 0 BCADHN CC[C@H](COC)NC(=O)NCCN(C)CC ZINC000157899959 326299834 /nfs/dbraw/zinc/29/98/34/326299834.db2.gz GDFHSLXUVLXYCB-SNVBAGLBSA-N 0 3 231.340 0.662 20 0 BCADHN CCN1CCCN(Cc2nncn2C)CC1 ZINC000158173007 326310745 /nfs/dbraw/zinc/31/07/45/326310745.db2.gz YUPRHDSRSQOEAY-UHFFFAOYSA-N 0 3 223.324 0.343 20 0 BCADHN CC[C@H](NC(=O)[C@@H](CN)OC)[C@@H]1CCCO1 ZINC000568150603 326313248 /nfs/dbraw/zinc/31/32/48/326313248.db2.gz NQLNRUVZHVDUJI-LPEHRKFASA-N 0 3 230.308 0.034 20 0 BCADHN CN(C)[C@H]1CN(CCc2cccnc2)C[C@@H]1O ZINC000568177381 326320614 /nfs/dbraw/zinc/32/06/14/326320614.db2.gz UEUGHSTWXRZYEI-STQMWFEESA-N 0 3 235.331 0.231 20 0 BCADHN CN(C)C(=O)CCCN(C)C(C)(C)C(N)=O ZINC000568178022 326321121 /nfs/dbraw/zinc/32/11/21/326321121.db2.gz FNAZXYDZINOBGY-UHFFFAOYSA-N 0 3 229.324 0.051 20 0 BCADHN C[C@@H](O)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC000568206111 326326229 /nfs/dbraw/zinc/32/62/29/326326229.db2.gz CSDKUZSNNCGUNN-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000568208022 326326334 /nfs/dbraw/zinc/32/63/34/326326334.db2.gz SDGRNJNBQVTZJQ-LLVKDONJSA-N 0 3 239.363 0.537 20 0 BCADHN CCCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000568210042 326326699 /nfs/dbraw/zinc/32/66/99/326326699.db2.gz MVQUDBIBOUOHBQ-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@@H]1CN(C)CCN1C(=O)Cc1ccn[nH]1 ZINC000568314287 326344356 /nfs/dbraw/zinc/34/43/56/326344356.db2.gz UQSAVBSSYIPMFJ-LLVKDONJSA-N 0 3 236.319 0.505 20 0 BCADHN Cn1cnc(N2CC[C@H]3CCN(C)C[C@H]32)cc1=O ZINC000568412885 326355928 /nfs/dbraw/zinc/35/59/28/326355928.db2.gz MLVXERSZMZPPHY-GHMZBOCLSA-N 0 3 248.330 0.311 20 0 BCADHN NC1(c2noc(CNCC3CC3)n2)CCC1 ZINC000568627211 326368471 /nfs/dbraw/zinc/36/84/71/326368471.db2.gz SFKKVRDCSSTJHI-UHFFFAOYSA-N 0 3 222.292 0.907 20 0 BCADHN CN[C@@H](C)C(=O)N(C)CCc1cnccn1 ZINC000568652957 326371418 /nfs/dbraw/zinc/37/14/18/326371418.db2.gz YJNOGKYBLWQRSM-VIFPVBQESA-N 0 3 222.292 0.085 20 0 BCADHN CO[C@H]1C[C@@H](C(N)=O)N(CC2(SC)CC2)C1 ZINC000568696776 326372411 /nfs/dbraw/zinc/37/24/11/326372411.db2.gz WJMVKBZHXAJIGJ-IUCAKERBSA-N 0 3 244.360 0.457 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000568747760 326374807 /nfs/dbraw/zinc/37/48/07/326374807.db2.gz MGPLAEDULRTXIL-AXFHLTTASA-N 0 3 225.336 0.276 20 0 BCADHN CNCCN(C)S(=O)(=O)c1cccc(N)c1 ZINC000568783604 326377636 /nfs/dbraw/zinc/37/76/36/326377636.db2.gz ZJHRJLQGZNLFAF-UHFFFAOYSA-N 0 3 243.332 0.109 20 0 BCADHN CCNC(=O)c1cccc(CNCCC(N)=O)c1 ZINC000568990765 326385398 /nfs/dbraw/zinc/38/53/98/326385398.db2.gz CHINAIRKJUZVOX-UHFFFAOYSA-N 0 3 249.314 0.401 20 0 BCADHN CCO[C@@H]1C[C@@H]1NC(=O)CN1CC[C@H](C)C1 ZINC000569138325 326392619 /nfs/dbraw/zinc/39/26/19/326392619.db2.gz QHTRQGCUUFXSDL-GARJFASQSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](O)[C@H](C)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000569214005 326395444 /nfs/dbraw/zinc/39/54/44/326395444.db2.gz KMJGTTAOLJWJMD-SPFNVWMYSA-N 0 3 239.319 0.609 20 0 BCADHN CCc1cc(N2CC[C@@H](CO)[C@@H](O)C2)ccn1 ZINC000572829266 326413263 /nfs/dbraw/zinc/41/32/63/326413263.db2.gz QXLXDDNHFMQAKU-GWCFXTLKSA-N 0 3 236.315 0.824 20 0 BCADHN C[C@@H](NCC[C@@H]1CCNC1=O)c1cn[nH]c1 ZINC000573132969 326431280 /nfs/dbraw/zinc/43/12/80/326431280.db2.gz OIUTVHSVWQDJCK-RKDXNWHRSA-N 0 3 222.292 0.587 20 0 BCADHN C[C@H](NCC[C@H]1CCNC1=O)c1cn[nH]c1 ZINC000573132967 326431420 /nfs/dbraw/zinc/43/14/20/326431420.db2.gz OIUTVHSVWQDJCK-IUCAKERBSA-N 0 3 222.292 0.587 20 0 BCADHN CN(C)CCn1ccc(NCc2cn(C)cn2)n1 ZINC000684841623 487972635 /nfs/dbraw/zinc/97/26/35/487972635.db2.gz KSWKJFYRKDCVKH-UHFFFAOYSA-N 0 3 248.334 0.790 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NCC1(CO)CC1 ZINC000675611170 487974570 /nfs/dbraw/zinc/97/45/70/487974570.db2.gz XVIUTCXRTCHWLL-LLVKDONJSA-N 0 3 240.347 0.750 20 0 BCADHN Cn1ncnc1CNCCN1CCCC1 ZINC000083971016 487976425 /nfs/dbraw/zinc/97/64/25/487976425.db2.gz YUWRLBLBYAZFOV-UHFFFAOYSA-N 0 3 209.297 0.001 20 0 BCADHN NCC(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000655522620 487978079 /nfs/dbraw/zinc/97/80/79/487978079.db2.gz QBUHDAKPNFLLRP-RNFRBKRXSA-N 0 3 240.225 0.561 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@H](CO)CC1 ZINC000340972375 487979071 /nfs/dbraw/zinc/97/90/71/487979071.db2.gz GKJVEPMKPLHRFB-LBPRGKRZSA-N 0 3 242.363 0.949 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)Cc1ccc(N)nc1 ZINC000220384035 487981220 /nfs/dbraw/zinc/98/12/20/487981220.db2.gz MLTOAWKXQYIKNJ-VIFPVBQESA-N 0 3 236.319 0.478 20 0 BCADHN CCn1cnnc1CCNCc1ccnn1CC ZINC000677139793 487981293 /nfs/dbraw/zinc/98/12/93/487981293.db2.gz VZZAJGSBVDYFRB-UHFFFAOYSA-N 0 3 248.334 0.847 20 0 BCADHN Cc1[nH]ncc1CN(C)[C@@H](C)CS(C)(=O)=O ZINC000093385127 487982794 /nfs/dbraw/zinc/98/27/94/487982794.db2.gz FKRBMFVZBQGRJU-QMMMGPOBSA-N 0 3 245.348 0.583 20 0 BCADHN CC(C)NCC(=O)N(C)Cc1cc[nH]n1 ZINC000400047090 487984070 /nfs/dbraw/zinc/98/40/70/487984070.db2.gz UEHXXZSTOYPLEL-UHFFFAOYSA-N 0 3 210.281 0.366 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)c1cccc(F)c1 ZINC000673522131 487984189 /nfs/dbraw/zinc/98/41/89/487984189.db2.gz UDBUKHZQAQGYLH-NSHDSACASA-N 0 3 240.278 0.478 20 0 BCADHN CCN(CC(N)=O)CC1CCOCC1 ZINC000191711938 487986338 /nfs/dbraw/zinc/98/63/38/487986338.db2.gz OKEVHPKYFYOHJD-UHFFFAOYSA-N 0 3 200.282 0.220 20 0 BCADHN CN(C(=O)[C@H](O)C1CC1)[C@@H]1CCN(C2CC2)C1 ZINC000668599065 487988323 /nfs/dbraw/zinc/98/83/23/487988323.db2.gz QBXLQMSUOHFHTK-VXGBXAGGSA-N 0 3 238.331 0.452 20 0 BCADHN CN(C(=O)c1ncc[nH]1)[C@H]1CCN(C2CC2)C1 ZINC000668599375 487988444 /nfs/dbraw/zinc/98/84/44/487988444.db2.gz VZUNKFZIONGEIL-JTQLQIEISA-N 0 3 234.303 0.718 20 0 BCADHN CN(C(=O)[C@@H](O)C1CC1)[C@@H]1CCN(C2CC2)C1 ZINC000668599062 487988634 /nfs/dbraw/zinc/98/86/34/487988634.db2.gz QBXLQMSUOHFHTK-NEPJUHHUSA-N 0 3 238.331 0.452 20 0 BCADHN C[C@@H](C(=O)N1CCN2CCC1CC2)N(C)C ZINC000682568516 487990606 /nfs/dbraw/zinc/99/06/06/487990606.db2.gz XRLMVOLOZIDLJL-JTQLQIEISA-N 0 3 225.336 0.243 20 0 BCADHN CC[C@@H](C(=O)N1CCN(CC)[C@H](C)C1)N(C)C ZINC000677182362 487992738 /nfs/dbraw/zinc/99/27/38/487992738.db2.gz FYMNVDQEHAAIPN-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN CCN1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC000677182839 487993473 /nfs/dbraw/zinc/99/34/73/487993473.db2.gz 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MMUOGEMRNGSJKO-GFCCVEGCSA-N 0 3 248.330 0.564 20 0 BCADHN CCn1ncc(C)c1NC(=O)NCCN(C)C ZINC000667811745 488126791 /nfs/dbraw/zinc/12/67/91/488126791.db2.gz VAOHDGMWBKCSOW-UHFFFAOYSA-N 0 3 239.323 0.895 20 0 BCADHN C[C@@H](O)C1(NCc2cccc(C(N)=O)c2)CC1 ZINC000668697908 488127114 /nfs/dbraw/zinc/12/71/14/488127114.db2.gz OOHBKKBTPPVRHM-SECBINFHSA-N 0 3 234.299 0.789 20 0 BCADHN C[C@@H](O)C1(NCc2ccc3c(c2)nnn3C)CC1 ZINC000668697713 488127169 /nfs/dbraw/zinc/12/71/69/488127169.db2.gz KMMQUDDCRVCUKY-SECBINFHSA-N 0 3 246.314 0.971 20 0 BCADHN O=C(CCc1c[nH]cn1)NCCN1CCC1 ZINC000526008445 487539062 /nfs/dbraw/zinc/53/90/62/487539062.db2.gz QYIRYRURFTXJAH-UHFFFAOYSA-N 0 3 222.292 0.164 20 0 BCADHN O=C(CCc1cnc[nH]1)NCCN1CCC1 ZINC000526008445 487539065 /nfs/dbraw/zinc/53/90/65/487539065.db2.gz QYIRYRURFTXJAH-UHFFFAOYSA-N 0 3 222.292 0.164 20 0 BCADHN CN(CC(F)(F)F)C(=O)COC1(C)CNC1 ZINC000168750335 487539456 /nfs/dbraw/zinc/53/94/56/487539456.db2.gz DZKGACVZCVAPPX-UHFFFAOYSA-N 0 3 240.225 0.386 20 0 BCADHN Cc1nc(C)c(CN2CCC[C@H](C(N)=O)C2)o1 ZINC000685561107 487543743 /nfs/dbraw/zinc/54/37/43/487543743.db2.gz MALLRBMGBWLPLW-JTQLQIEISA-N 0 3 237.303 0.989 20 0 BCADHN C[C@@H](C(=O)N[C@H]1CCN(C)[C@@H](C)C1)N(C)C ZINC000674288556 487544562 /nfs/dbraw/zinc/54/45/62/487544562.db2.gz GHEKWEWLIBUUKE-DCAQKATOSA-N 0 3 227.352 0.535 20 0 BCADHN CC(=O)N[C@@H]1CCCN([C@@H]2CCCOC2)C1 ZINC000674286017 487545943 /nfs/dbraw/zinc/54/59/43/487545943.db2.gz CBQAVCZIFGNLGI-VXGBXAGGSA-N 0 3 226.320 0.766 20 0 BCADHN CCOCCCN1CCC(O)(CO)CC1 ZINC000313678622 487530080 /nfs/dbraw/zinc/53/00/80/487530080.db2.gz WIIUJAFUIRINFS-UHFFFAOYSA-N 0 3 217.309 0.232 20 0 BCADHN C[C@@H](C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)N(C)C ZINC000674288646 487549597 /nfs/dbraw/zinc/54/95/97/487549597.db2.gz GYZDJBLWVRFVIG-GRYCIOLGSA-N 0 3 241.379 0.878 20 0 BCADHN C[C@@H](C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)N(C)C ZINC000674288452 487549749 /nfs/dbraw/zinc/54/97/49/487549749.db2.gz ATOXWWMCQZGJID-GRYCIOLGSA-N 0 3 241.379 0.735 20 0 BCADHN C[C@@H](C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)N(C)C ZINC000674288454 487549534 /nfs/dbraw/zinc/54/95/34/487549534.db2.gz ATOXWWMCQZGJID-SRVKXCTJSA-N 0 3 241.379 0.735 20 0 BCADHN CCCN1CC[C@H](NC(=O)NC[C@@H](C)CO)C1 ZINC000665839614 487550526 /nfs/dbraw/zinc/55/05/26/487550526.db2.gz NEPRKCPQCSNBCJ-MNOVXSKESA-N 0 3 243.351 0.398 20 0 BCADHN O=C(Nc1nc[n-]n1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653346479 487553893 /nfs/dbraw/zinc/55/38/93/487553893.db2.gz WYUKDVDONYZUIJ-SFYZADRCSA-N 0 3 221.264 0.274 20 0 BCADHN Cc1ccc(NCCN2CC=CCC2)nn1 ZINC000392857873 487556220 /nfs/dbraw/zinc/55/62/20/487556220.db2.gz LCCVMRINATTXAK-UHFFFAOYSA-N 0 3 218.304 0.881 20 0 BCADHN OCCO[C@@H]1CCCN([C@@H]2CCCOC2)C1 ZINC000674303058 487556469 /nfs/dbraw/zinc/55/64/69/487556469.db2.gz SWZSOPUICBNMTQ-VXGBXAGGSA-N 0 3 229.320 0.639 20 0 BCADHN OCCO[C@H]1CCCN([C@@H]2CCCOC2)C1 ZINC000674303049 487556500 /nfs/dbraw/zinc/55/65/00/487556500.db2.gz SWZSOPUICBNMTQ-NEPJUHHUSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@H](O)C1(NCc2cnc(N(C)C)n2C)CC1 ZINC000668702484 488137565 /nfs/dbraw/zinc/13/75/65/488137565.db2.gz JUPWPKSTJHHIMS-VIFPVBQESA-N 0 3 238.335 0.489 20 0 BCADHN CCN(CC)CCNC(=O)C(=O)N(C)C(C)C ZINC000339583110 487471150 /nfs/dbraw/zinc/47/11/50/487471150.db2.gz UDIVTGCMLMKYTE-UHFFFAOYSA-N 0 3 243.351 0.311 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000237452087 487472873 /nfs/dbraw/zinc/47/28/73/487472873.db2.gz YPSHHRIFCNKJQR-KXUCPTDWSA-N 0 3 212.293 0.280 20 0 BCADHN Cn1nncc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000684967195 487476879 /nfs/dbraw/zinc/47/68/79/487476879.db2.gz AMQPMPGEGCKWSR-JTQLQIEISA-N 0 3 249.318 0.029 20 0 BCADHN Cc1ncc(CN2CC[C@@H](O)[C@H]2C)n1C ZINC000668225456 487483976 /nfs/dbraw/zinc/48/39/76/487483976.db2.gz NIFPEHMHRKLYMA-LDYMZIIASA-N 0 3 209.293 0.684 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@H](CO)C(C)C ZINC000086125617 487484759 /nfs/dbraw/zinc/48/47/59/487484759.db2.gz WPHQOSPVHHZKII-VHSXEESVSA-N 0 3 216.325 0.493 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)C1(N)CCCC1 ZINC000086125200 487484780 /nfs/dbraw/zinc/48/47/80/487484780.db2.gz UNWKMXJWWKCQEU-SECBINFHSA-N 0 3 214.309 0.391 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](CO)C(C)C ZINC000086125451 487484839 /nfs/dbraw/zinc/48/48/39/487484839.db2.gz SDXIRLBDJPOHFV-AEJSXWLSSA-N 0 3 216.325 0.493 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)C[C@@H]1CSCCN1 ZINC000086125558 487485088 /nfs/dbraw/zinc/48/50/88/487485088.db2.gz LMSOAKFBEDQDAD-NXEZZACHSA-N 0 3 246.376 0.215 20 0 BCADHN Cc1ccnc(N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000405530065 487486342 /nfs/dbraw/zinc/48/63/42/487486342.db2.gz XWPCAXJWCLZLEH-NWDGAFQWSA-N 0 3 233.315 0.645 20 0 BCADHN CC[C@@H](C)N(CC)C(=O)CNCCOC ZINC000086157932 487486914 /nfs/dbraw/zinc/48/69/14/487486914.db2.gz GEFZWUWFGDDOSE-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN C[C@@H](OCC1CC1)C(=O)N(C)CCN(C)C ZINC000673943650 487487315 /nfs/dbraw/zinc/48/73/15/487487315.db2.gz DXJSUHWWWOULED-SNVBAGLBSA-N 0 3 228.336 0.822 20 0 BCADHN CN(C)CCN(C)C(=O)CCCn1ccnc1 ZINC000673945950 487488403 /nfs/dbraw/zinc/48/84/03/487488403.db2.gz ZCWZAMSYKZOIPC-UHFFFAOYSA-N 0 3 238.335 0.683 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2CNCCO2)[C@H](CC)CO1 ZINC000403884806 488141777 /nfs/dbraw/zinc/14/17/77/488141777.db2.gz VFCVCIUPWWGYET-UPJWGTAASA-N 0 3 242.363 0.864 20 0 BCADHN CCN(Cc1ccn(C)c(=O)c1)[C@@H]1CCNC1=O ZINC000685043143 487495675 /nfs/dbraw/zinc/49/56/75/487495675.db2.gz IKUVBOMGZRPLQE-LLVKDONJSA-N 0 3 249.314 0.096 20 0 BCADHN O[C@@H]1CCC[C@@H](CN2CCOC[C@H](O)C2)C1 ZINC000399887301 487496805 /nfs/dbraw/zinc/49/68/05/487496805.db2.gz BNUBPPLLCVPDMC-IJLUTSLNSA-N 0 3 229.320 0.231 20 0 BCADHN CN(C)C[C@@H](CO)Nc1cnc2ccccc2n1 ZINC000685262154 487506377 /nfs/dbraw/zinc/50/63/77/487506377.db2.gz JQSQRCWLEBPJLZ-JTQLQIEISA-N 0 3 246.314 0.964 20 0 BCADHN CN(CCC[NH3+])C(=O)c1ccccc1[O-] ZINC000019833842 487501371 /nfs/dbraw/zinc/50/13/71/487501371.db2.gz QOXXXVATFMUGIH-UHFFFAOYSA-N 0 3 208.261 0.813 20 0 BCADHN CN(C)C[C@H](CO)Nc1cnc2ccccc2n1 ZINC000685262155 487506697 /nfs/dbraw/zinc/50/66/97/487506697.db2.gz JQSQRCWLEBPJLZ-SNVBAGLBSA-N 0 3 246.314 0.964 20 0 BCADHN [NH3+]CCOCC(=O)Nc1ccccc1[O-] ZINC000086435114 487505924 /nfs/dbraw/zinc/50/59/24/487505924.db2.gz HYMICKCOCNOMGB-UHFFFAOYSA-N 0 3 210.233 0.306 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)CNCCOC ZINC000226350654 487511367 /nfs/dbraw/zinc/51/13/67/487511367.db2.gz UUVYRJNXWZYCAP-RKDXNWHRSA-N 0 3 200.282 0.137 20 0 BCADHN CN(C)C[C@H](CO)Nc1ncnc2ccccc21 ZINC000685262063 487506891 /nfs/dbraw/zinc/50/68/91/487506891.db2.gz FCQDJPBEDVTMMY-SNVBAGLBSA-N 0 3 246.314 0.964 20 0 BCADHN CN1C(=O)C[C@H](N2CC[C@H](C3CCC3)C2)C1=O ZINC000666125477 487510310 /nfs/dbraw/zinc/51/03/10/487510310.db2.gz HTRMFXBZXMXHBN-QWRGUYRKSA-N 0 3 236.315 0.866 20 0 BCADHN Cc1ccc(C(=O)NCC2C[NH2+]C2)c([O-])c1 ZINC000397730298 488142141 /nfs/dbraw/zinc/14/21/41/488142141.db2.gz CTHHXAYSWFKTDB-UHFFFAOYSA-N 0 3 220.272 0.650 20 0 BCADHN CC[C@H](O)CNCC(C)(C)S(C)(=O)=O ZINC000086503167 487514521 /nfs/dbraw/zinc/51/45/21/487514521.db2.gz LWYBBWIDHDOPRP-QMMMGPOBSA-N 0 3 223.338 0.170 20 0 BCADHN NC(=O)c1ccc(CNCC2(CO)CC2)cc1 ZINC000118906853 487516356 /nfs/dbraw/zinc/51/63/56/487516356.db2.gz SZLYNRGETDSQNQ-UHFFFAOYSA-N 0 3 234.299 0.648 20 0 BCADHN CCCN(C)CC(=O)NC1CCC(CO)CC1 ZINC000680008977 487516703 /nfs/dbraw/zinc/51/67/03/487516703.db2.gz IQDAEXJMMWISQA-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](Cn1cncn1)[NH2+]Cc1ncccc1[O-] ZINC000685421804 487520022 /nfs/dbraw/zinc/52/00/22/487520022.db2.gz WONFFPWLJBKHQN-VIFPVBQESA-N 0 3 233.275 0.557 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000308816446 487522772 /nfs/dbraw/zinc/52/27/72/487522772.db2.gz FENMNCWGHBEDSC-KXUCPTDWSA-N 0 3 214.309 0.478 20 0 BCADHN CCn1ccc(=NC(=O)[C@H]2CC[C@@H](C3CC3)N2)[nH]1 ZINC000407302250 487524220 /nfs/dbraw/zinc/52/42/20/487524220.db2.gz MVEMWRYTSWHPTQ-WDEREUQCSA-N 0 3 248.330 0.794 20 0 BCADHN O=C1COc2ccc(CN[C@H]3C[C@H](O)C3)cc2N1 ZINC000668779277 487525250 /nfs/dbraw/zinc/52/52/50/487525250.db2.gz BDZFPJIYQZETEL-MGCOHNPYSA-N 0 3 248.282 0.630 20 0 BCADHN CN(C(=O)C(C)(C)C(N)=O)C1CCN(C)CC1 ZINC000683461181 488167874 /nfs/dbraw/zinc/16/78/74/488167874.db2.gz SVVOKBXUMZXAEA-UHFFFAOYSA-N 0 3 241.335 0.051 20 0 BCADHN CO[C@H]1CCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662611827 487671363 /nfs/dbraw/zinc/67/13/63/487671363.db2.gz GZLRSFHVQBWECS-NSHDSACASA-N 0 3 238.331 0.908 20 0 BCADHN CCn1cc(CNC[C@H](O)CSC)cn1 ZINC000591766550 487798253 /nfs/dbraw/zinc/79/82/53/487798253.db2.gz GIGIDLJSGSBMOS-JTQLQIEISA-N 0 3 229.349 0.717 20 0 BCADHN CCn1cc(CNC[C@@H](O)CSC)cn1 ZINC000591766557 487798204 /nfs/dbraw/zinc/79/82/04/487798204.db2.gz GIGIDLJSGSBMOS-SNVBAGLBSA-N 0 3 229.349 0.717 20 0 BCADHN Cn1cc(O)nc1Nc1ncnc2nccnc21 ZINC000677000980 487952959 /nfs/dbraw/zinc/95/29/59/487952959.db2.gz FDNYLQKPUPKFKU-UHFFFAOYSA-N 0 3 243.230 0.603 20 0 BCADHN CCN(CC(=O)N(C)C)[C@H](C)CCOC ZINC000677884783 488147502 /nfs/dbraw/zinc/14/75/02/488147502.db2.gz TUJAKPHETXRAER-SNVBAGLBSA-N 0 3 216.325 0.822 20 0 BCADHN CCC[C@@H](N)c1cn(CCn2ccnc2)nn1 ZINC000229953435 488009141 /nfs/dbraw/zinc/00/91/41/488009141.db2.gz XLJPTBQLNDLUBU-SNVBAGLBSA-N 0 3 234.307 0.975 20 0 BCADHN C[C@@H](CNC(=O)c1cnco1)N(C)C1CC1 ZINC000677535239 488067122 /nfs/dbraw/zinc/06/71/22/488067122.db2.gz CUZUMPMMKFOBSW-QMMMGPOBSA-N 0 3 223.276 0.887 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2CNCCO2)[C@@H](CC)CO1 ZINC000403884807 488141573 /nfs/dbraw/zinc/14/15/73/488141573.db2.gz VFCVCIUPWWGYET-XQQFMLRXSA-N 0 3 242.363 0.864 20 0 BCADHN COC[C@H](CCO)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000667870912 488143518 /nfs/dbraw/zinc/14/35/18/488143518.db2.gz HNDABLDVDANSFO-QJPTWQEYSA-N 0 3 229.320 0.541 20 0 BCADHN COC[C@](C)(O)CN[C@@H]1CCCn2nccc21 ZINC000657878893 488159359 /nfs/dbraw/zinc/15/93/59/488159359.db2.gz OVOYSVWIHXDNDN-ZYHUDNBSSA-N 0 3 239.319 0.705 20 0 BCADHN CC(C)NCC(=O)N[C@H](C)c1ncon1 ZINC000397850986 488159523 /nfs/dbraw/zinc/15/95/23/488159523.db2.gz HGMDKHMKOBLVDQ-SSDOTTSWSA-N 0 3 212.253 0.245 20 0 BCADHN CCCC[C@@H](COC)NC1(C(N)=O)CC1 ZINC000191484008 488159821 /nfs/dbraw/zinc/15/98/21/488159821.db2.gz MWLQJRLOAYHOND-VIFPVBQESA-N 0 3 214.309 0.799 20 0 BCADHN CCn1cc(CNC[C@H](C)COC)nn1 ZINC000404444291 488161066 /nfs/dbraw/zinc/16/10/66/488161066.db2.gz MQEWNWBJXXWNCQ-VIFPVBQESA-N 0 3 212.297 0.670 20 0 BCADHN CCn1cc(CNCC[C@@H]2CCOC2)nn1 ZINC000404441397 488161299 /nfs/dbraw/zinc/16/12/99/488161299.db2.gz KLGRZQTWXDYOCS-SNVBAGLBSA-N 0 3 224.308 0.814 20 0 BCADHN C[C@@H](N[C@H]1CO[C@H](C2CC2)C1)C(=O)N(C)C ZINC000667935094 488162349 /nfs/dbraw/zinc/16/23/49/488162349.db2.gz DAZUZTIIKRSJND-IEBDPFPHSA-N 0 3 226.320 0.620 20 0 BCADHN CCN1CC[C@@H](N[C@@H](COC)C2CC2)C1=O ZINC000390506322 488162670 /nfs/dbraw/zinc/16/26/70/488162670.db2.gz XEPLWFRUCQEMQG-MNOVXSKESA-N 0 3 226.320 0.622 20 0 BCADHN Cn1ncc(Cl)c1C(=O)N1CCCNCC1 ZINC000214411983 488166538 /nfs/dbraw/zinc/16/65/38/488166538.db2.gz MIFKCCOFNBRVRA-UHFFFAOYSA-N 0 3 242.710 0.509 20 0 BCADHN CCN1C[C@@H](C)N(C(=O)[C@H](C)N(C)C)C[C@@H]1C ZINC000677974107 488167702 /nfs/dbraw/zinc/16/77/02/488167702.db2.gz DYPXJRJTGKGGEX-TUAOUCFPSA-N 0 3 241.379 0.878 20 0 BCADHN CCN1C[C@H](C)N(C(=O)[C@H](C)N(C)C)C[C@H]1C ZINC000677974113 488167769 /nfs/dbraw/zinc/16/77/69/488167769.db2.gz DYPXJRJTGKGGEX-WOPDTQHZSA-N 0 3 241.379 0.878 20 0 BCADHN CCOC[C@H](O)CN[C@H]1CCCn2nccc21 ZINC000657888858 488168516 /nfs/dbraw/zinc/16/85/16/488168516.db2.gz QQABSOMYLSONAS-MNOVXSKESA-N 0 3 239.319 0.705 20 0 BCADHN C[C@H](CNC(=O)C(C)(C)C(N)=O)N(C)C1CC1 ZINC000683478548 488172368 /nfs/dbraw/zinc/17/23/68/488172368.db2.gz CJTBKSRAZYSFED-MRVPVSSYSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C(C)(C)C(N)=O)CCN1C ZINC000683485681 488174095 /nfs/dbraw/zinc/17/40/95/488174095.db2.gz FRUDPFSBJFYPLL-DTWKUNHWSA-N 0 3 241.335 0.097 20 0 BCADHN O=C(NC1CCN(C2CC2)CC1)[C@H](O)C1CC1 ZINC000665802630 488175040 /nfs/dbraw/zinc/17/50/40/488175040.db2.gz JRMGXMQFMSCOFB-GFCCVEGCSA-N 0 3 238.331 0.500 20 0 BCADHN COCCOC[C@@H](O)CN1CC(C)(C)C1 ZINC000390724189 488175860 /nfs/dbraw/zinc/17/58/60/488175860.db2.gz CRSDEBZGIBENIV-JTQLQIEISA-N 0 3 217.309 0.352 20 0 BCADHN C[C@@H](N)C(=O)N1CCC(F)(F)C[C@@H]1C ZINC000606279458 488177575 /nfs/dbraw/zinc/17/75/75/488177575.db2.gz PGSHAXJLCIRRAZ-NKWVEPMBSA-N 0 3 206.236 0.980 20 0 BCADHN O=C([C@H](O)C1CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000668007873 488183296 /nfs/dbraw/zinc/18/32/96/488183296.db2.gz HRILKWSFJZRVCR-VXGBXAGGSA-N 0 3 238.331 0.454 20 0 BCADHN Cn1ccc(CN2CCC[C@@](C)(O)C2)cc1=O ZINC000678047265 488185407 /nfs/dbraw/zinc/18/54/07/488185407.db2.gz MLBKNGSRDWLZEI-CYBMUJFWSA-N 0 3 236.315 0.732 20 0 BCADHN O=C(CN1CCC12CCOCC2)N1CCCC1 ZINC000683525192 488185541 /nfs/dbraw/zinc/18/55/41/488185541.db2.gz OTSYOJGAGIVLNK-UHFFFAOYSA-N 0 3 238.331 0.864 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000668013158 488185970 /nfs/dbraw/zinc/18/59/70/488185970.db2.gz RHZCVIPNMPCIII-NNYUYHANSA-N 0 3 238.331 0.431 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)[C@@H](O)C1CC1 ZINC000668012817 488186030 /nfs/dbraw/zinc/18/60/30/488186030.db2.gz LFKIVDAPWXRFHB-QWRGUYRKSA-N 0 3 226.320 0.310 20 0 BCADHN Cc1nccnc1C(=O)N1CCC[C@H]1CN(C)C ZINC000668012728 488186079 /nfs/dbraw/zinc/18/60/79/488186079.db2.gz JAVNYKTXSKPKCD-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN Cc1nccnc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000668023186 488188965 /nfs/dbraw/zinc/18/89/65/488188965.db2.gz ZWEPMTXVHCYAMS-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CCn1nncc1CN[C@H]1CCN(CC2CC2)C1 ZINC000669539917 488190308 /nfs/dbraw/zinc/19/03/08/488190308.db2.gz FWKCDTDRARYEDW-LBPRGKRZSA-N 0 3 249.362 0.872 20 0 BCADHN O=C(C[C@@H]1CSCCN1)Nc1cc[nH]n1 ZINC000085613866 488190356 /nfs/dbraw/zinc/19/03/56/488190356.db2.gz XKWSOTULHOCUFT-SSDOTTSWSA-N 0 3 226.305 0.443 20 0 BCADHN CC(C)CCN(C)C(=O)C[C@@H]1CNCCO1 ZINC000085619535 488191258 /nfs/dbraw/zinc/19/12/58/488191258.db2.gz UYDGTSCURPCKKY-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN COCCN(C)CCNC(=O)c1nccs1 ZINC000683546199 488192284 /nfs/dbraw/zinc/19/22/84/488192284.db2.gz SPRVGEKQNZVOBE-UHFFFAOYSA-N 0 3 243.332 0.451 20 0 BCADHN CCc1n[nH]cc1C(=O)NCC1(N(C)C)CC1 ZINC000668049092 488195208 /nfs/dbraw/zinc/19/52/08/488195208.db2.gz TYDJUVJKRABHHB-UHFFFAOYSA-N 0 3 236.319 0.796 20 0 BCADHN CN(C)C1(CNC(=O)c2nccs2)CC1 ZINC000668052725 488196173 /nfs/dbraw/zinc/19/61/73/488196173.db2.gz FRRSIJOLXBEGCB-UHFFFAOYSA-N 0 3 225.317 0.967 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)N(C)CCO ZINC000678114142 488198548 /nfs/dbraw/zinc/19/85/48/488198548.db2.gz VNVKNBWEKURWIK-NSHDSACASA-N 0 3 243.351 0.495 20 0 BCADHN CCN1C[C@@H](CNCc2n[nH]cc2C)CC1=O ZINC000651999081 488199650 /nfs/dbraw/zinc/19/96/50/488199650.db2.gz FCCGIOBGUXBGBY-SNVBAGLBSA-N 0 3 236.319 0.676 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1CCSC1 ZINC000231352982 488201021 /nfs/dbraw/zinc/20/10/21/488201021.db2.gz QKTIXXQJLNHUBO-MRVPVSSYSA-N 0 3 202.323 0.606 20 0 BCADHN CCCN1CC[C@H](Nc2nccn(C)c2=O)C1 ZINC000389265118 488206449 /nfs/dbraw/zinc/20/64/49/488206449.db2.gz PNSXYKQFHZYIBL-JTQLQIEISA-N 0 3 236.319 0.098 20 0 BCADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O ZINC000678172864 488212557 /nfs/dbraw/zinc/21/25/57/488212557.db2.gz MUWZSSDXKYFJGV-MNOVXSKESA-N 0 3 226.320 0.312 20 0 BCADHN COC[C@H](C)NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000668164865 488212700 /nfs/dbraw/zinc/21/27/00/488212700.db2.gz DPEAZOSINWQHSI-KXUCPTDWSA-N 0 3 229.324 0.413 20 0 BCADHN C1CC1[C@H]1C[C@H](NC2COCCOC2)CO1 ZINC000668187033 488217492 /nfs/dbraw/zinc/21/74/92/488217492.db2.gz VTSLJPYFTUOFDW-CMPLNLGQSA-N 0 3 227.304 0.559 20 0 BCADHN C1CC1[C@@H]1C[C@H](NC2COCCOC2)CO1 ZINC000668187034 488217832 /nfs/dbraw/zinc/21/78/32/488217832.db2.gz VTSLJPYFTUOFDW-JQWIXIFHSA-N 0 3 227.304 0.559 20 0 BCADHN CCc1cnc(CNC(=O)CNC(C)C)o1 ZINC000231646232 488218324 /nfs/dbraw/zinc/21/83/24/488218324.db2.gz PDOSNINFRNJXGP-UHFFFAOYSA-N 0 3 225.292 0.851 20 0 BCADHN CCN1CCCN(c2cncc3ncnn32)CC1 ZINC000678349938 488245497 /nfs/dbraw/zinc/24/54/97/488245497.db2.gz QELJVKHGEZZYRP-UHFFFAOYSA-N 0 3 246.318 0.656 20 0 BCADHN CN1CCC(C(=O)N[C@@H](CO)CC2CC2)CC1 ZINC000678381202 488248516 /nfs/dbraw/zinc/24/85/16/488248516.db2.gz DWAGDZHXPATRKQ-GFCCVEGCSA-N 0 3 240.347 0.605 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](CO)CC1CC1 ZINC000678383317 488248814 /nfs/dbraw/zinc/24/88/14/488248814.db2.gz VGBPVNFNJIICJV-LLVKDONJSA-N 0 3 228.336 0.604 20 0 BCADHN CN(CCCCCO)[C@@H]1CCCN(C)C1=O ZINC000684003241 488254592 /nfs/dbraw/zinc/25/45/92/488254592.db2.gz QTAXYDQOXGVKAU-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCCCN1C ZINC000672516604 488257735 /nfs/dbraw/zinc/25/77/35/488257735.db2.gz GLEBCSQXDXPQPC-WDEREUQCSA-N 0 3 227.352 0.537 20 0 BCADHN COc1ccc(CNCCc2nnnn2C)cc1 ZINC000678499220 488263150 /nfs/dbraw/zinc/26/31/50/488263150.db2.gz SHMSLROTUBSNLV-UHFFFAOYSA-N 0 3 247.302 0.551 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NCCc1nnnn1C ZINC000678547264 488265954 /nfs/dbraw/zinc/26/59/54/488265954.db2.gz PKONWRNOBFXOET-QMMMGPOBSA-N 0 3 249.322 0.145 20 0 BCADHN Cc1ccncc1[C@H](C)NCCc1nnnn1C ZINC000678547788 488266001 /nfs/dbraw/zinc/26/60/01/488266001.db2.gz HVPDXTSTZWALLY-JTQLQIEISA-N 0 3 246.318 0.807 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000673519446 488291875 /nfs/dbraw/zinc/29/18/75/488291875.db2.gz POMJNWDUHPZROU-WYUUTHIRSA-N 0 3 240.347 0.461 20 0 BCADHN O=C(N[C@@H](CO)CN1CCCC1)C1CCCC1 ZINC000673529784 488294245 /nfs/dbraw/zinc/29/42/45/488294245.db2.gz CDRLKZUEAAFLGY-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN CC(C)(C)C(=O)N[C@H](CO)CN1CCCC1 ZINC000673530386 488294545 /nfs/dbraw/zinc/29/45/45/488294545.db2.gz GKOQOKZHNHQLIH-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN O=C(N[C@@H](CO)CN1CCCC1)C1CCC1 ZINC000673532509 488294736 /nfs/dbraw/zinc/29/47/36/488294736.db2.gz VMXHPBABTGYPOF-LLVKDONJSA-N 0 3 226.320 0.359 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000673532981 488294975 /nfs/dbraw/zinc/29/49/75/488294975.db2.gz ZNYLSTAOLDJEHL-MXWKQRLJSA-N 0 3 226.320 0.215 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CC([C@H]2CCOC2)C1 ZINC000684348447 488298106 /nfs/dbraw/zinc/29/81/06/488298106.db2.gz NNPIZPHEGVSVPI-JQWIXIFHSA-N 0 3 238.331 0.576 20 0 BCADHN O[C@@H](COC[C@H]1CCCO1)CN1CC=CCC1 ZINC000679323060 488336789 /nfs/dbraw/zinc/33/67/89/488336789.db2.gz HONDDVNNDPAYAP-CHWSQXEVSA-N 0 3 241.331 0.805 20 0 BCADHN CCN(C[C@H]1CCOC1)[C@@H]1CCCN(C)C1=O ZINC000679311699 488334204 /nfs/dbraw/zinc/33/42/04/488334204.db2.gz PCUKZGMSRVUVHJ-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](CCCCO)N[C@H](CO)c1cnn(C)c1 ZINC000679358307 488345274 /nfs/dbraw/zinc/34/52/74/488345274.db2.gz AGFDNTHEHFNLFD-CMPLNLGQSA-N 0 3 241.335 0.594 20 0 BCADHN C[C@@H](C(=O)N(C)[C@H]1CCCN(C)C1)N(C)C ZINC000078750359 490058347 /nfs/dbraw/zinc/05/83/47/490058347.db2.gz BQRXSRYVKLZASY-QWRGUYRKSA-N 0 3 227.352 0.489 20 0 BCADHN COCCCOCCC(=O)N1CCCNCC1 ZINC000662396397 490065127 /nfs/dbraw/zinc/06/51/27/490065127.db2.gz WNKODJQZZTXNFP-UHFFFAOYSA-N 0 3 244.335 0.252 20 0 BCADHN CCCNC(=O)CN(CCC)C[C@H](C)CO ZINC000120673324 490066766 /nfs/dbraw/zinc/06/67/66/490066766.db2.gz WPMSWQHGOXSMHJ-NSHDSACASA-N 0 3 230.352 0.853 20 0 BCADHN Cn1cccc1CN[C@@]1(CO)CCOC1 ZINC000184177988 490153755 /nfs/dbraw/zinc/15/37/55/490153755.db2.gz KLTITSIDXGYZMB-LLVKDONJSA-N 0 3 210.277 0.266 20 0 BCADHN CN1CCN(C(=O)Nc2ccccc2)[C@@H](CN)C1 ZINC000122663889 490159528 /nfs/dbraw/zinc/15/95/28/490159528.db2.gz VWSRBULBGXPEAT-LBPRGKRZSA-N 0 3 248.330 0.793 20 0 BCADHN Cc1ncc(C(=O)N[C@H](CN)C(F)(F)F)[nH]1 ZINC000655515236 490175089 /nfs/dbraw/zinc/17/50/89/490175089.db2.gz KVMKVXWDWWKROP-ZCFIWIBFSA-N 0 3 236.197 0.338 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)[C@H](C)N(C)C ZINC000078737515 490222874 /nfs/dbraw/zinc/22/28/74/490222874.db2.gz ZHALUDOHGANDFR-NWDGAFQWSA-N 0 3 241.379 0.927 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@H](Cn2ccnn2)C1 ZINC000668452472 490248878 /nfs/dbraw/zinc/24/88/78/490248878.db2.gz UMWBDVZEXFUYHR-LLVKDONJSA-N 0 3 246.318 0.832 20 0 BCADHN CNCC(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000082256385 490275811 /nfs/dbraw/zinc/27/58/11/490275811.db2.gz LGWXQQROKXYZJX-LURJTMIESA-N 0 3 242.304 0.548 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCCC(=O)N(C)C ZINC000390131936 490276302 /nfs/dbraw/zinc/27/63/02/490276302.db2.gz CAVQYYZMEUZZEL-SECBINFHSA-N 0 3 241.335 0.112 20 0 BCADHN C[C@H]1C[C@@H]1CN1CCN(c2nccnn2)CC1 ZINC000625644463 490318562 /nfs/dbraw/zinc/31/85/62/490318562.db2.gz HZZGQGAGHPBWGX-WDEREUQCSA-N 0 3 233.319 0.650 20 0 BCADHN CC(C)N1CCCN(C(=O)[C@H](O)C2CC2)CC1 ZINC000668101591 490330302 /nfs/dbraw/zinc/33/03/02/490330302.db2.gz WBERHQMEYAOOIG-GFCCVEGCSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2cnc(N)s2)C1 ZINC000235748264 490331486 /nfs/dbraw/zinc/33/14/86/490331486.db2.gz XOLGKRGHYAWONB-JTQLQIEISA-N 0 3 240.332 0.423 20 0 BCADHN CC[C@H](C)[C@H](C)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000668508487 490343002 /nfs/dbraw/zinc/34/30/02/490343002.db2.gz MDUBUOYVROCJDQ-UKKRHICBSA-N 0 3 249.376 0.823 20 0 BCADHN C[C@@H](CCO)CNCc1cc(C(N)=O)cs1 ZINC000086573786 490348857 /nfs/dbraw/zinc/34/88/57/490348857.db2.gz OHLHQBIUEJXYBM-QMMMGPOBSA-N 0 3 242.344 0.955 20 0 BCADHN CC[C@@H](N)c1cn([C@H](C)C(=O)N(C)C)nn1 ZINC000229937833 490367692 /nfs/dbraw/zinc/36/76/92/490367692.db2.gz CEBMXXCBBWZYDG-HTQZYQBOSA-N 0 3 225.296 0.337 20 0 BCADHN CC[C@@H](N)c1cn(CCn2ccnc2C)nn1 ZINC000229942612 490368732 /nfs/dbraw/zinc/36/87/32/490368732.db2.gz NHPXHQZWDIGKAM-SNVBAGLBSA-N 0 3 234.307 0.893 20 0 BCADHN CCC[C@H](N)c1cn(Cc2noc(C)n2)nn1 ZINC000229956387 490370901 /nfs/dbraw/zinc/37/09/01/490370901.db2.gz GWOQISOXYYOLSV-QMMMGPOBSA-N 0 3 236.279 0.818 20 0 BCADHN CCC[C@@H](N)c1cn(CC(=O)NCC)nn1 ZINC000229956157 490371196 /nfs/dbraw/zinc/37/11/96/490371196.db2.gz FRDYDYPOKXSLLJ-MRVPVSSYSA-N 0 3 225.296 0.214 20 0 BCADHN C[C@@H](CCO)NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000124713455 490399572 /nfs/dbraw/zinc/39/95/72/490399572.db2.gz PDTJYUMAPCSHFT-CMPLNLGQSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H](NCc1cc[nH]c1)[C@@H]1CN(C)CCO1 ZINC000124861692 490406122 /nfs/dbraw/zinc/40/61/22/490406122.db2.gz GRLCHBNGGCGDIO-JQWIXIFHSA-N 0 3 223.320 0.823 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC[C@H]([C@H](C)O)C1 ZINC000305205651 490449497 /nfs/dbraw/zinc/44/94/97/490449497.db2.gz XXQZHGTZFZPMCT-VWYCJHECSA-N 0 3 228.336 0.556 20 0 BCADHN COC1CCN(CCNC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000079684480 490457873 /nfs/dbraw/zinc/45/78/73/490457873.db2.gz USHKXPIVGGSIEN-ZYHUDNBSSA-N 0 3 240.347 0.869 20 0 BCADHN CN(C)CCNC(=O)CN(C)c1ccccc1 ZINC000131053718 490471727 /nfs/dbraw/zinc/47/17/27/490471727.db2.gz MIMHYCBSEQRUDE-UHFFFAOYSA-N 0 3 235.331 0.801 20 0 BCADHN CNC(=O)CCN[C@]1(CO)CCc2ccccc21 ZINC000305715684 490471980 /nfs/dbraw/zinc/47/19/80/490471980.db2.gz HCKFBOCOKMRTCK-AWEZNQCLSA-N 0 3 248.326 0.546 20 0 BCADHN CCn1cc(CN(C)C[C@H]2CNCCO2)cn1 ZINC000126843051 490521209 /nfs/dbraw/zinc/52/12/09/490521209.db2.gz VVYPIPOQSGEKIS-GFCCVEGCSA-N 0 3 238.335 0.323 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H](CO)C1CC1 ZINC000359771559 490562688 /nfs/dbraw/zinc/56/26/88/490562688.db2.gz CFUQYTDEDDUYON-LLVKDONJSA-N 0 3 228.336 0.461 20 0 BCADHN CN(C)C[C@H]1CN(Cc2cncnc2)CCO1 ZINC000128199199 490575124 /nfs/dbraw/zinc/57/51/24/490575124.db2.gz LNZIJWSRHOFLKJ-LBPRGKRZSA-N 0 3 236.319 0.239 20 0 BCADHN C[C@@H](NCc1cccn1C)[C@H]1CN(C)CCO1 ZINC000129163727 490601625 /nfs/dbraw/zinc/60/16/25/490601625.db2.gz PRVHUTVJXVEVDU-DGCLKSJQSA-N 0 3 237.347 0.834 20 0 BCADHN C[C@@H](NCc1cccn1C)[C@@H]1CN(C)CCO1 ZINC000129163362 490601921 /nfs/dbraw/zinc/60/19/21/490601921.db2.gz PRVHUTVJXVEVDU-YPMHNXCESA-N 0 3 237.347 0.834 20 0 BCADHN NC(=O)c1cccc(CNCC2(CO)CC2)c1 ZINC000080246975 490625450 /nfs/dbraw/zinc/62/54/50/490625450.db2.gz GMIADDJNGXWMID-UHFFFAOYSA-N 0 3 234.299 0.648 20 0 BCADHN CC(C)(CNCc1cc[nH]c1)NS(C)(=O)=O ZINC000080774082 490654288 /nfs/dbraw/zinc/65/42/88/490654288.db2.gz HQQGXBHVDHRGMH-UHFFFAOYSA-N 0 3 245.348 0.432 20 0 BCADHN CC[C@H](C(N)=O)N(C)CCCCCO ZINC000227112872 491055113 /nfs/dbraw/zinc/05/51/13/491055113.db2.gz LBDFJGGFKWQEOX-SECBINFHSA-N 0 3 202.298 0.345 20 0 BCADHN OCCCCN1CCN(C[C@@H]2CCCO2)CC1 ZINC000590622400 491069790 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528500009 /nfs/dbraw/zinc/50/00/09/528500009.db2.gz GIXMPSDZVLIIJH-LPEHRKFASA-N 0 3 241.335 0.130 20 0 BCADHN CCOC1CC(N(C)C[C@@H]2CN(C)C(=O)O2)C1 ZINC000495728889 528510714 /nfs/dbraw/zinc/51/07/14/528510714.db2.gz MZZVZNOCFQKUDR-VQXHTEKXSA-N 0 3 242.319 0.936 20 0 BCADHN CCO/C=C\C(=O)NC[C@@H]1CCCN1C ZINC000493518720 528526989 /nfs/dbraw/zinc/52/69/89/528526989.db2.gz KVOCLIWZXMEYHK-ZEBCKKTISA-N 0 3 212.293 0.747 20 0 BCADHN CCOC1CN(C(=O)/C=C\CN(C)C)C1 ZINC000493544048 528532962 /nfs/dbraw/zinc/53/29/62/528532962.db2.gz CGBACFGTMZGDDK-WAYWQWQTSA-N 0 3 212.293 0.352 20 0 BCADHN CCO/C=C\C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000493555910 528533518 /nfs/dbraw/zinc/53/35/18/528533518.db2.gz RWLBFESUOPBPBW-BJPMOSCESA-N 0 3 224.304 0.890 20 0 BCADHN CC(C)[C@@H](O)CN1CCC(F)(F)[C@H](CO)C1 ZINC000403952911 528625066 /nfs/dbraw/zinc/62/50/66/528625066.db2.gz QVMHPDWXLYRWBU-UWVGGRQHSA-N 0 3 237.290 0.953 20 0 BCADHN CCOCCN(CC)C[C@@H]1CN(C)C(=O)O1 ZINC000495730059 528723220 /nfs/dbraw/zinc/72/32/20/528723220.db2.gz PAYMZQQRWVEXLF-JTQLQIEISA-N 0 3 230.308 0.795 20 0 BCADHN CCOC(=O)CCNC(=O)/C=C\CN(C)C ZINC000492917157 528730748 /nfs/dbraw/zinc/73/07/48/528730748.db2.gz BPYFVCOGNCZGHP-WAYWQWQTSA-N 0 3 228.292 0.174 20 0 BCADHN CCOCCNC(=O)CN[C@]1(C)CCO[C@@H]1C ZINC000494248402 528767436 /nfs/dbraw/zinc/76/74/36/528767436.db2.gz RHLBWQNQHZECCU-ZYHUDNBSSA-N 0 3 244.335 0.296 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCC[C@]1(C)CO ZINC000305120536 528813272 /nfs/dbraw/zinc/81/32/72/528813272.db2.gz MJHXFODLDANYCB-DGCLKSJQSA-N 0 3 242.363 0.994 20 0 BCADHN CCOC(=O)C[C@H](C)NC(=O)/C=C\CN(C)C ZINC000493595600 528894087 /nfs/dbraw/zinc/89/40/87/528894087.db2.gz IRVFTGFQXCNOJF-GFVADAIESA-N 0 3 242.319 0.562 20 0 BCADHN CCOC[C@@H](O)CN1CCN(C)[C@@H](C(C)C)C1 ZINC000487985466 528899848 /nfs/dbraw/zinc/89/98/48/528899848.db2.gz FBENPULKNFGDKF-QWHCGFSZSA-N 0 3 244.379 0.656 20 0 BCADHN CC(C)N1CC(NC(=O)/C=C\CN(C)C)C1 ZINC000493171905 528981718 /nfs/dbraw/zinc/98/17/18/528981718.db2.gz OEIUFURPSYPFKO-WAYWQWQTSA-N 0 3 225.336 0.313 20 0 BCADHN CCOC[C@H](O)CN1CCN(C)[C@H](C(C)C)C1 ZINC000487985465 528997506 /nfs/dbraw/zinc/99/75/06/528997506.db2.gz FBENPULKNFGDKF-OLZOCXBDSA-N 0 3 244.379 0.656 20 0 BCADHN CCOC(=O)N1CC[C@@H](NC(=O)[C@H](N)CC)C1 ZINC000496665799 529004041 /nfs/dbraw/zinc/00/40/41/529004041.db2.gz UGBBHGVOCRTREZ-RKDXNWHRSA-N 0 3 243.307 0.071 20 0 BCADHN CCN1CCN(C(=O)/C=C\CN(C)C)[C@H](C)C1 ZINC000492808031 529108382 /nfs/dbraw/zinc/10/83/82/529108382.db2.gz ZDAOFVYGRLKDEF-ZHRWSRJISA-N 0 3 239.363 0.657 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](N)C(C)C)C[C@@H](C)O1 ZINC000494533074 529279717 /nfs/dbraw/zinc/27/97/17/529279717.db2.gz QQRISZDLVBHZCS-OUAUKWLOSA-N 0 3 228.336 0.996 20 0 BCADHN CC[C@@H](C(=O)NCCNC(=O)C(C)C)N(C)C ZINC000177953985 529282606 /nfs/dbraw/zinc/28/26/06/529282606.db2.gz VMXQATVQOFIJAD-JTQLQIEISA-N 0 3 243.351 0.215 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@H]1CN(C)C(=O)O1 ZINC000496980713 529286056 /nfs/dbraw/zinc/28/60/56/529286056.db2.gz YKMVWPUQQFEBLX-WDEREUQCSA-N 0 3 241.335 0.463 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@@](O)(CC)C1 ZINC000495205232 529298944 /nfs/dbraw/zinc/29/89/44/529298944.db2.gz TXQYUDSDPJGXRF-WPRPVWTQSA-N 0 3 200.282 0.097 20 0 BCADHN CC[C@H]1CN([C@@H]2COC[C@H]2O)CCS1 ZINC000463107336 529300678 /nfs/dbraw/zinc/30/06/78/529300678.db2.gz LROWJPNTSOWLHM-IVZWLZJFSA-N 0 3 217.334 0.574 20 0 BCADHN CC[C@H](CNC(=O)/C=C\CN(C)C)OC ZINC000493803765 529337796 /nfs/dbraw/zinc/33/77/96/529337796.db2.gz QFETZUUDXATYIV-JYESYGNLSA-N 0 3 214.309 0.645 20 0 BCADHN CC[C@@H](C)N(C)CC(=O)NCCCOC ZINC000172693657 529341046 /nfs/dbraw/zinc/34/10/46/529341046.db2.gz LEBRPVLRWCGGSH-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN CC[C@](C)(CO)NC(=O)/C=C\CN(C)C ZINC000492541993 529363855 /nfs/dbraw/zinc/36/38/55/529363855.db2.gz XUPSQHXIWOHNQP-JMEBYUIHSA-N 0 3 214.309 0.381 20 0 BCADHN CC[C@](C)(NC[C@@H](OC)C1CC1)C(N)=O ZINC000400269130 529371345 /nfs/dbraw/zinc/37/13/45/529371345.db2.gz XFKKVARQBUPKMO-KOLCDFICSA-N 0 3 214.309 0.655 20 0 BCADHN CC(C)N(C)C(=O)CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252854552 534968120 /nfs/dbraw/zinc/96/81/20/534968120.db2.gz HCDZSHJNTPVGFT-SDDRHHMPSA-N 0 3 240.347 0.556 20 0 BCADHN CC(C)[C@H](CO)C(=O)N(C)C1CCN(C)CC1 ZINC000258753856 535023088 /nfs/dbraw/zinc/02/30/88/535023088.db2.gz KTNAVAWDHLZSPS-LBPRGKRZSA-N 0 3 242.363 0.804 20 0 BCADHN CC1(C)[C@H](NC(=O)CN)[C@H]2CCCO[C@@H]21 ZINC000261568901 535048399 /nfs/dbraw/zinc/04/83/99/535048399.db2.gz FYHXIOPESSGMBW-QNSHHTMESA-N 0 3 212.293 0.265 20 0 BCADHN CC(C)(CCO)NCc1cnc(N)s1 ZINC000261530039 535051184 /nfs/dbraw/zinc/05/11/84/535051184.db2.gz XIWHLFHSXZVONG-UHFFFAOYSA-N 0 3 215.322 0.976 20 0 BCADHN CC(C)CNC(=O)CN[C@@H](CCO)C(C)C ZINC000231041284 535148790 /nfs/dbraw/zinc/14/87/90/535148790.db2.gz RHCLPSOLNOMQGF-NSHDSACASA-N 0 3 230.352 0.755 20 0 BCADHN CC(C)N1CCC[C@@H](N2CCC[C@@H]2CO)C1=O ZINC000179300465 535167037 /nfs/dbraw/zinc/16/70/37/535167037.db2.gz VLHDARJQVXCUAL-VXGBXAGGSA-N 0 3 240.347 0.843 20 0 BCADHN CC(C)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000257970591 535177555 /nfs/dbraw/zinc/17/75/55/535177555.db2.gz DJPHWXRVVTUESE-NSHDSACASA-N 0 3 225.336 0.291 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)[C@@H](N)C(C)(C)C ZINC000226341932 535179506 /nfs/dbraw/zinc/17/95/06/535179506.db2.gz YUIPTAAYFXGPTQ-NXEZZACHSA-N 0 3 230.352 0.883 20 0 BCADHN CC(C)(N)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000261586583 535196312 /nfs/dbraw/zinc/19/63/12/535196312.db2.gz RGFFYTXXEYQFHE-LLVKDONJSA-N 0 3 212.293 0.363 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@H](C)N)CCO1 ZINC000261536913 535223275 /nfs/dbraw/zinc/22/32/75/535223275.db2.gz UFIYYDHUKSXZNV-RKDXNWHRSA-N 0 3 200.282 0.217 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H](N)C2CCC2)CCO1 ZINC000335564439 535225677 /nfs/dbraw/zinc/22/56/77/535225677.db2.gz TZZSPAQHGIBBEE-VXGBXAGGSA-N 0 3 240.347 0.997 20 0 BCADHN CC(C)(O)C(C)(C)NCC(=O)N1CCC1 ZINC000308999761 535272733 /nfs/dbraw/zinc/27/27/33/535272733.db2.gz NSENQVLRAQNKCA-UHFFFAOYSA-N 0 3 214.309 0.358 20 0 BCADHN CC(C)(O)CN1CCN(Cc2c[nH]cn2)CC1 ZINC000179358494 535307151 /nfs/dbraw/zinc/30/71/51/535307151.db2.gz AYRQPPARZJYJDQ-UHFFFAOYSA-N 0 3 238.335 0.298 20 0 BCADHN CC(C)(O)CN1CCN(Cc2cnc[nH]2)CC1 ZINC000179358494 535307158 /nfs/dbraw/zinc/30/71/58/535307158.db2.gz AYRQPPARZJYJDQ-UHFFFAOYSA-N 0 3 238.335 0.298 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CCNC[C@](C)(F)C1 ZINC000336212309 535316259 /nfs/dbraw/zinc/31/62/59/535316259.db2.gz LYEHIYDHRPBSSL-JQWIXIFHSA-N 0 3 245.342 0.520 20 0 BCADHN CC(C)OCCOC[C@@H](O)CN(C)C[C@@H](C)O ZINC000172992898 535338119 /nfs/dbraw/zinc/33/81/19/535338119.db2.gz HAOATUHPEXVWON-NEPJUHHUSA-N 0 3 249.351 0.102 20 0 BCADHN CC1(C)CN(C(=O)[C@@H](O)C2CCC2)CCN1 ZINC000336199214 535341502 /nfs/dbraw/zinc/34/15/02/535341502.db2.gz SCCNTAYBADMDIJ-JTQLQIEISA-N 0 3 226.320 0.358 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CCN[C@@H](C)C1 ZINC000262651301 535363153 /nfs/dbraw/zinc/36/31/53/535363153.db2.gz XPPKRQIIJMJSOW-RYUDHWBXSA-N 0 3 239.363 0.681 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CC[C@@H](O)C1 ZINC000335388793 535364705 /nfs/dbraw/zinc/36/47/05/535364705.db2.gz BIMCURBLSCRBKB-MNOVXSKESA-N 0 3 226.320 0.454 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H](C)[C@H](C)OC ZINC000252715099 535405789 /nfs/dbraw/zinc/40/57/89/535405789.db2.gz UQDGNMWPDXNOTQ-VGMNWLOBSA-N 0 3 202.298 0.524 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)C(=O)OC)N(CC)CC ZINC000345956535 535425549 /nfs/dbraw/zinc/42/55/49/535425549.db2.gz KKAZWWFOKDWEOJ-ZJUUUORDSA-N 0 3 244.335 0.785 20 0 BCADHN CC[C@@H](C)CN(C)[C@@H](C)C(=O)NC(=O)NC ZINC000171951159 535493709 /nfs/dbraw/zinc/49/37/09/535493709.db2.gz OTIYSBHRMATZQZ-BDAKNGLRSA-N 0 3 229.324 0.808 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCCOC1 ZINC000170934299 535494063 /nfs/dbraw/zinc/49/40/63/535494063.db2.gz VELDQQHFMBWZQQ-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N1CCN[C@@H](C)C1 ZINC000335392654 535494566 /nfs/dbraw/zinc/49/45/66/535494566.db2.gz NEESTKJRWVTVKA-RYUDHWBXSA-N 0 3 239.363 0.681 20 0 BCADHN CC[C@@H](C)CN(CC)CC(=O)N1CCNC1=O ZINC000177847809 535507864 /nfs/dbraw/zinc/50/78/64/535507864.db2.gz QQSNFWFVUDIZLZ-SNVBAGLBSA-N 0 3 241.335 0.906 20 0 BCADHN CC[C@@H](C)CN(CC)CC(=O)NC(N)=O ZINC000177859102 535508430 /nfs/dbraw/zinc/50/84/30/535508430.db2.gz YPEVVGIOBAVOFG-MRVPVSSYSA-N 0 3 215.297 0.549 20 0 BCADHN CCC[C@@](C)(N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000226321368 535529149 /nfs/dbraw/zinc/52/91/49/535529149.db2.gz PWFIRTKEQGWDMI-HTRCEHHLSA-N 0 3 242.241 0.543 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000347759588 535529446 /nfs/dbraw/zinc/52/94/46/535529446.db2.gz RVMBVQAZAPCTSZ-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN CCN(CC)CCNS(=O)(=O)NC(C)C ZINC000244047888 535540794 /nfs/dbraw/zinc/54/07/94/535540794.db2.gz TUFSUHYJYGVMEO-UHFFFAOYSA-N 0 3 237.369 0.161 20 0 BCADHN CC[C@@H](C)N(C)C(=O)[C@@H](N)CCC(=O)OC ZINC000342714926 535544383 /nfs/dbraw/zinc/54/43/83/535544383.db2.gz AKQXIOTZWKSXIY-BDAKNGLRSA-N 0 3 230.308 0.524 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)COC(F)F ZINC000348630201 535561117 /nfs/dbraw/zinc/56/11/17/535561117.db2.gz OCAUQSAGTRURQP-MRVPVSSYSA-N 0 3 236.262 0.826 20 0 BCADHN CCOC(=O)CCN1CCC[C@H](O)CC1 ZINC000260350230 535648189 /nfs/dbraw/zinc/64/81/89/535648189.db2.gz ZCHORRXLIBKLHI-JTQLQIEISA-N 0 3 215.293 0.786 20 0 BCADHN CCOC(=O)CCN1CCC[C@H](C(=O)OC)C1 ZINC000171236088 535648733 /nfs/dbraw/zinc/64/87/33/535648733.db2.gz KZIRKFCRGAHEFH-JTQLQIEISA-N 0 3 243.303 0.825 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000182628605 535679382 /nfs/dbraw/zinc/67/93/82/535679382.db2.gz ZKYWOSGBUIMCSN-XQQFMLRXSA-N 0 3 248.326 0.888 20 0 BCADHN CCN(C)C(=O)CCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000351935452 535708993 /nfs/dbraw/zinc/70/89/93/535708993.db2.gz MBUPZRCVFNOOBH-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN CCN(C)C(=O)CN(CC)CC(C)(C)O ZINC000078748630 535714083 /nfs/dbraw/zinc/71/40/83/535714083.db2.gz VSSPZKRWGWBUJH-UHFFFAOYSA-N 0 3 216.325 0.558 20 0 BCADHN CCN(C)C(=O)CN(C)[C@H]1CCN(C2CC2)C1 ZINC000348183291 535714765 /nfs/dbraw/zinc/71/47/65/535714765.db2.gz XVSCVOJDEAQLCQ-LBPRGKRZSA-N 0 3 239.363 0.633 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCO[C@@H](COC)C1 ZINC000262696704 535758224 /nfs/dbraw/zinc/75/82/24/535758224.db2.gz FDKBGJHVAIOZNP-PWSUYJOCSA-N 0 3 244.335 0.378 20 0 BCADHN CC[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)C ZINC000343131209 535760334 /nfs/dbraw/zinc/76/03/34/535760334.db2.gz WIOHQKWCXDGIFJ-UWVGGRQHSA-N 0 3 216.325 0.460 20 0 BCADHN CCN(C[C@@H](C)O)[C@@H](C)C(=O)N(C)C ZINC000352209156 535765572 /nfs/dbraw/zinc/76/55/72/535765572.db2.gz ABFFEPUXWRIHOI-BDAKNGLRSA-N 0 3 202.298 0.166 20 0 BCADHN CCN(C[C@@H]1CCCO1)C[C@](C)(O)C(=O)OC ZINC000080210470 535769522 /nfs/dbraw/zinc/76/95/22/535769522.db2.gz FBWYBGWUGCTKME-JQWIXIFHSA-N 0 3 245.319 0.411 20 0 BCADHN CC[C@@H](O)CN1CCC(NC(=O)C2CC2)CC1 ZINC000173528890 535812732 /nfs/dbraw/zinc/81/27/32/535812732.db2.gz BJKMHDJYGLIQFX-GFCCVEGCSA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@@H]1CCCN(C(=O)C(=O)NCCN)CC1 ZINC000079300592 535819519 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YDQYXJDEMPBIGK-JTQLQIEISA-N 0 3 240.307 0.128 20 0 BCADHN CN(CC1CN(C)C1)CN1CCOC1=S ZINC000853553410 588748530 /nfs/dbraw/zinc/74/85/30/588748530.db2.gz OCVGBKXHHISGBW-UHFFFAOYSA-N 0 3 229.349 0.054 20 0 BCADHN C[C@@H]1CN(CN(C)CC2CN(C)C2)C(=O)[C@H]1C ZINC000853553455 588748574 /nfs/dbraw/zinc/74/85/74/588748574.db2.gz FLFIAHHNLZICGS-MNOVXSKESA-N 0 3 239.363 0.552 20 0 BCADHN CN(CC1CN(C)C1)CN1C(=O)CC12CCC2 ZINC000853554165 588748597 /nfs/dbraw/zinc/74/85/97/588748597.db2.gz XXRXOEQCOYCETQ-UHFFFAOYSA-N 0 3 237.347 0.592 20 0 BCADHN CSC(C)(C)C(=O)N1CCOC2(CNC2)C1 ZINC000854015171 588771778 /nfs/dbraw/zinc/77/17/78/588771778.db2.gz JNDRHWPHFCPKEI-UHFFFAOYSA-N 0 3 244.360 0.329 20 0 BCADHN CS/C=C/C(=O)N1CCOC2(CNC2)C1 ZINC000854015864 588771854 /nfs/dbraw/zinc/77/18/54/588771854.db2.gz QZCFCTUTHFDOHV-GORDUTHDSA-N 0 3 228.317 0.064 20 0 BCADHN COCCN(CCF)C(=O)N[C@@H](C)CN(C)C ZINC000854062872 588772630 /nfs/dbraw/zinc/77/26/30/588772630.db2.gz DKDGRQNVQVGCIE-JTQLQIEISA-N 0 3 249.330 0.564 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1C=CCC1 ZINC000854064943 588772690 /nfs/dbraw/zinc/77/26/90/588772690.db2.gz QNQKMBSAKNYPMY-UWVGGRQHSA-N 0 3 211.309 0.954 20 0 BCADHN CN1CCCN(C(=O)Cc2ncc[nH]2)CC1 ZINC000854177070 588778220 /nfs/dbraw/zinc/77/82/20/588778220.db2.gz CAGZYFNHOSOXKO-UHFFFAOYSA-N 0 3 222.292 0.116 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@@H]1NC[C@@H]1CCCO1 ZINC000854219809 588779903 /nfs/dbraw/zinc/77/99/03/588779903.db2.gz UCRSHQWBZWCHQH-DCAQKATOSA-N 0 3 242.319 0.049 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CC(C)=NO1 ZINC000854297530 588783141 /nfs/dbraw/zinc/78/31/41/588783141.db2.gz RXZQZDTUKDQPCO-GHMZBOCLSA-N 0 3 239.319 0.752 20 0 BCADHN CC1=NO[C@@H](C(=O)N[C@@H](C)CN(C)C)C1 ZINC000854458842 588787877 /nfs/dbraw/zinc/78/78/77/588787877.db2.gz SXRNYKHMAGYAGI-DTWKUNHWSA-N 0 3 213.281 0.218 20 0 BCADHN Cc1ccc(C(=O)N[C@H](CO)CN(C)C)nc1 ZINC000854466766 588788716 /nfs/dbraw/zinc/78/87/16/588788716.db2.gz KELHJZICLGDSIS-JTQLQIEISA-N 0 3 237.303 0.042 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C=C1CCCC1 ZINC000854466656 588788927 /nfs/dbraw/zinc/78/89/27/588788927.db2.gz HUPHKBJXFIWPIP-LLVKDONJSA-N 0 3 226.320 0.526 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Cc3ncc[nH]3)[C@H]2C1 ZINC000854600502 588796606 /nfs/dbraw/zinc/79/66/06/588796606.db2.gz WLXIGBICRRJWQF-ZJUUUORDSA-N 0 3 234.303 0.115 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H]1COC(=O)C1)N(C)C ZINC000854556338 588794223 /nfs/dbraw/zinc/79/42/23/588794223.db2.gz QZUJCYSCZOVMHQ-WCBMZHEXSA-N 0 3 228.292 0.004 20 0 BCADHN CO[C@@H]1CC[C@@H](C(=O)NOCCN(C)C)C1 ZINC000854690788 588801782 /nfs/dbraw/zinc/80/17/82/588801782.db2.gz LGGGEPUUYIFHTC-NXEZZACHSA-N 0 3 230.308 0.411 20 0 BCADHN Cc1[nH]c(C=O)cc1C(=O)N1CC(CN(C)C)C1 ZINC000854722389 588804098 /nfs/dbraw/zinc/80/40/98/588804098.db2.gz VIZLGLXJGUWWRX-UHFFFAOYSA-N 0 3 249.314 0.769 20 0 BCADHN CCCN(C)CC(=O)NC[C@H]1CC(C)=NO1 ZINC000854795353 588809967 /nfs/dbraw/zinc/80/99/67/588809967.db2.gz ZEDOMESXPLTHFL-SNVBAGLBSA-N 0 3 227.308 0.609 20 0 BCADHN CC1=NO[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC000854797754 588810119 /nfs/dbraw/zinc/81/01/19/588810119.db2.gz ONYHOLBDZFZFSC-SNVBAGLBSA-N 0 3 239.319 0.752 20 0 BCADHN Cc1cc(NCC2(O)CCOCC2)nc(N)n1 ZINC000112733934 588814786 /nfs/dbraw/zinc/81/47/86/588814786.db2.gz KATSWYBLVQRINX-UHFFFAOYSA-N 0 3 238.291 0.321 20 0 BCADHN CCn1ccnc1C(=O)NOCCN(C)C ZINC000854944983 588817531 /nfs/dbraw/zinc/81/75/31/588817531.db2.gz FTESIDCFTMCWSU-UHFFFAOYSA-N 0 3 226.280 0.126 20 0 BCADHN Cc1cnccc1CC(=O)[N-]OCC[NH+](C)C ZINC000854945404 588817837 /nfs/dbraw/zinc/81/78/37/588817837.db2.gz IKCGHMGFMGAREL-UHFFFAOYSA-N 0 3 237.303 0.542 20 0 BCADHN CN(C)CCONC(=O)[C@@H]1CCCOCC1 ZINC000854945576 588817882 /nfs/dbraw/zinc/81/78/82/588817882.db2.gz UAHFNJICHUXJPI-SNVBAGLBSA-N 0 3 230.308 0.413 20 0 BCADHN CCOc1nc(C(=O)NOCCN(C)C)co1 ZINC000854945621 588817993 /nfs/dbraw/zinc/81/79/93/588817993.db2.gz NIABBLONGGWCSF-UHFFFAOYSA-N 0 3 243.263 0.296 20 0 BCADHN CN(C)CCONC(=O)c1conc1C1CC1 ZINC000854945443 588818080 /nfs/dbraw/zinc/81/80/80/588818080.db2.gz QKMNYEJCRPDSLC-UHFFFAOYSA-N 0 3 239.275 0.775 20 0 BCADHN CN(C)CCONC(=O)c1cnc2[nH]cnc2c1 ZINC000854946057 588818291 /nfs/dbraw/zinc/81/82/91/588818291.db2.gz YZWSPOBMDCFDSR-UHFFFAOYSA-N 0 3 249.274 0.181 20 0 BCADHN CCc1c(C(=O)NOCCN(C)C)cnn1C ZINC000854947329 588818339 /nfs/dbraw/zinc/81/83/39/588818339.db2.gz QZGJPSXILSVNBI-UHFFFAOYSA-N 0 3 240.307 0.206 20 0 BCADHN C[C@@H](CNC(=O)/C=C/[C@H]1CCOC1)N(C)C ZINC000855009457 588820347 /nfs/dbraw/zinc/82/03/47/588820347.db2.gz VCXWIUBWWYYGNK-NNOMMRTBSA-N 0 3 226.320 0.645 20 0 BCADHN CC[C@@H](CO)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000855165491 588824607 /nfs/dbraw/zinc/82/46/07/588824607.db2.gz WLZXSCOQYQLWCQ-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H]1C[C@@H](N[C@H](C)C(=O)N(C)OC)CCO1 ZINC000858322876 582459240 /nfs/dbraw/zinc/45/92/40/582459240.db2.gz MXLLBHKXASXTLI-VWYCJHECSA-N 0 3 244.335 0.942 20 0 BCADHN CC[C@H](CO)C(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000855359913 588828904 /nfs/dbraw/zinc/82/89/04/588828904.db2.gz FMQYJYDJFSUUMA-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN CN(C)C[C@@H]1CN(C(=O)OCCF)CCO1 ZINC000858993093 582477911 /nfs/dbraw/zinc/47/79/11/582477911.db2.gz NORXGZUBHAWVDQ-SECBINFHSA-N 0 3 234.271 0.355 20 0 BCADHN CCN(C(=O)CC1OCCO1)[C@H]1CCN(C)C1 ZINC000855359707 588829270 /nfs/dbraw/zinc/82/92/70/588829270.db2.gz AMMQVCGTTKUIMO-JTQLQIEISA-N 0 3 242.319 0.302 20 0 BCADHN CCN(C(=O)c1cc[n+]([O-])cc1)[C@H]1CCN(C)C1 ZINC000855364220 588829398 /nfs/dbraw/zinc/82/93/98/588829398.db2.gz ZJLQECLJJOBGRI-LBPRGKRZSA-N 0 3 249.314 0.486 20 0 BCADHN CN(C)C1(C(=O)NC/C=C/CO)CCC1 ZINC000855399328 588831345 /nfs/dbraw/zinc/83/13/45/588831345.db2.gz LHQHATJVEAGXBQ-ONEGZZNKSA-N 0 3 212.293 0.135 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H](O)[C@@H](F)C1)N(C)C ZINC000890682111 582502527 /nfs/dbraw/zinc/50/25/27/582502527.db2.gz PAJADMXADOXYBY-LPEHRKFASA-N 0 3 232.299 0.258 20 0 BCADHN COCC[C@H](N)C(=O)N[C@H](C)CSC ZINC000127584028 582551842 /nfs/dbraw/zinc/55/18/42/582551842.db2.gz YILBIHHBOJRNIR-SFYZADRCSA-N 0 3 220.338 0.218 20 0 BCADHN CN(C)CCn1nccc1NC(=O)C1(F)CC1 ZINC000843599198 582561090 /nfs/dbraw/zinc/56/10/90/582561090.db2.gz JPJKUTRODMFYNO-UHFFFAOYSA-N 0 3 240.282 0.885 20 0 BCADHN CC(C)=CC(=O)NCCOCCN(C)C ZINC000300783880 582580691 /nfs/dbraw/zinc/58/06/91/582580691.db2.gz VOQADJSHNKSVCD-UHFFFAOYSA-N 0 3 214.309 0.647 20 0 BCADHN CN(C)CCn1ccc(C(=O)N[C@@H]2C=CCC2)n1 ZINC000855435828 588836698 /nfs/dbraw/zinc/83/66/98/588836698.db2.gz OVAFWRMWIHHZAS-LLVKDONJSA-N 0 3 248.330 0.893 20 0 BCADHN O=C(NC/C=C\Cl)[C@H]1CN2CCN1CCC2 ZINC000891205319 582631102 /nfs/dbraw/zinc/63/11/02/582631102.db2.gz RGCVXZUOVGMYOA-BRPGZNNISA-N 0 3 243.738 0.245 20 0 BCADHN CCn1nnnc1NC(=O)C(C)C(F)(F)F ZINC000891338864 582667099 /nfs/dbraw/zinc/66/70/99/582667099.db2.gz CLQCHTPAZSMDJE-SCSAIBSYSA-N 0 3 237.185 0.830 20 0 BCADHN Cc1cc(N)nc(NCCCN2CCCC2=O)n1 ZINC000891404719 582679247 /nfs/dbraw/zinc/67/92/47/582679247.db2.gz LZKNZFQLMIRJCK-UHFFFAOYSA-N 0 3 249.318 0.792 20 0 BCADHN COCc1nccc(N2CCCN(C)CC2)n1 ZINC000891437881 582685418 /nfs/dbraw/zinc/68/54/18/582685418.db2.gz DHZUABBCGNMRJE-UHFFFAOYSA-N 0 3 236.319 0.765 20 0 BCADHN CCN(CCO)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891450614 582689149 /nfs/dbraw/zinc/68/91/49/582689149.db2.gz JAKIHQPSVCAONT-WDEREUQCSA-N 0 3 247.310 0.934 20 0 BCADHN CCN(CCO)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891450602 582689519 /nfs/dbraw/zinc/68/95/19/582689519.db2.gz JAKIHQPSVCAONT-GHMZBOCLSA-N 0 3 247.310 0.934 20 0 BCADHN COC[C@H](C)NC(=O)NCCN1CC[C@H](C)C1 ZINC000891468274 582691270 /nfs/dbraw/zinc/69/12/70/582691270.db2.gz UTCLLQPGAZLGFO-QWRGUYRKSA-N 0 3 243.351 0.662 20 0 BCADHN COC[C@@H](C)NC(=O)NCCN1CC[C@@H](C)C1 ZINC000891468271 582691305 /nfs/dbraw/zinc/69/13/05/582691305.db2.gz UTCLLQPGAZLGFO-GHMZBOCLSA-N 0 3 243.351 0.662 20 0 BCADHN Cc1cc(N)nc(NCCNC(=O)C2CC2)n1 ZINC000891516667 582694783 /nfs/dbraw/zinc/69/47/83/582694783.db2.gz LWNQRLDBBYURNH-UHFFFAOYSA-N 0 3 235.291 0.305 20 0 BCADHN CC(=O)NCCCNc1nc(C)cc(N)n1 ZINC000891704845 582711016 /nfs/dbraw/zinc/71/10/16/582711016.db2.gz LAUKVOFJRSIBQQ-UHFFFAOYSA-N 0 3 223.280 0.305 20 0 BCADHN CCOCCNC(=O)NCCN1CC[C@@H](C)C1 ZINC000891780025 582720594 /nfs/dbraw/zinc/72/05/94/582720594.db2.gz QRELMWQSYBRJJN-LLVKDONJSA-N 0 3 243.351 0.664 20 0 BCADHN OCc1cnc(NCCN2CCCCC2)cn1 ZINC000891836883 582728415 /nfs/dbraw/zinc/72/84/15/582728415.db2.gz FCKWIUFSZAJPML-UHFFFAOYSA-N 0 3 236.319 0.867 20 0 BCADHN C[C@@H](CN1CCCC1=O)Nc1ccncc1CO ZINC000891914258 582736884 /nfs/dbraw/zinc/73/68/84/582736884.db2.gz WNOIWIHJEAGFGV-JTQLQIEISA-N 0 3 249.314 0.419 20 0 BCADHN Cc1cc(N)nc(NC[C@H]2COCCO2)n1 ZINC000891916439 582737716 /nfs/dbraw/zinc/73/77/16/582737716.db2.gz BEEFPXUEEQDRLQ-QMMMGPOBSA-N 0 3 224.264 0.195 20 0 BCADHN COCCNCCNC(=O)N[C@H](C)C(F)F ZINC000892054727 582778232 /nfs/dbraw/zinc/77/82/32/582778232.db2.gz GEKNIUUFDWKCBO-SSDOTTSWSA-N 0 3 239.266 0.175 20 0 BCADHN CN1C[C@H]2CCN(C(=O)NCc3cc[nH]n3)[C@H]2C1 ZINC000892063983 582782350 /nfs/dbraw/zinc/78/23/50/582782350.db2.gz SJTVRLJSFVNUHK-KOLCDFICSA-N 0 3 249.318 0.255 20 0 BCADHN CN1C[C@H]2CCN(C(=O)NCc3cc[nH]n3)[C@@H]2C1 ZINC000892063984 582782365 /nfs/dbraw/zinc/78/23/65/582782365.db2.gz SJTVRLJSFVNUHK-MWLCHTKSSA-N 0 3 249.318 0.255 20 0 BCADHN CN(C)CCN(CC[NH+](C)C)C(=O)[O-] ZINC000146589640 582838494 /nfs/dbraw/zinc/83/84/94/582838494.db2.gz RCPWAMQAIHLHML-UHFFFAOYSA-N 0 3 203.286 0.090 20 0 BCADHN CCN(CC)CC(=O)N(C)[C@@H]1CC[C@H]1OC ZINC000889346898 582857619 /nfs/dbraw/zinc/85/76/19/582857619.db2.gz QWBPIOSDVNQRKG-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN Nc1cc(N2CCS(=O)CC2)c(Cl)cn1 ZINC000892332362 582857671 /nfs/dbraw/zinc/85/76/71/582857671.db2.gz XNURWBZYYQEVTG-UHFFFAOYSA-N 0 3 245.735 0.886 20 0 BCADHN C[NH+](C)[C@H](CNc1cc(=O)[n-]cn1)C1CC1 ZINC000892345609 582863445 /nfs/dbraw/zinc/86/34/45/582863445.db2.gz QGXHVTIHHGHSNB-SECBINFHSA-N 0 3 222.292 0.934 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N2CCCNCC2)[C@H](C)O1 ZINC000892423994 582883399 /nfs/dbraw/zinc/88/33/99/582883399.db2.gz HAUPLPIFMXUOMT-OUAUKWLOSA-N 0 3 241.335 0.557 20 0 BCADHN COCCOc1ccc(CNC[C@H](C)O)o1 ZINC000892441965 582888243 /nfs/dbraw/zinc/88/82/43/582888243.db2.gz VQZKKAUYPXQFGA-VIFPVBQESA-N 0 3 229.276 0.775 20 0 BCADHN CC[S@@](=O)CCNc1nc(C)cc(N)n1 ZINC000892451969 582889450 /nfs/dbraw/zinc/88/94/50/582889450.db2.gz FDFDLVBEHMTSQQ-OAHLLOKOSA-N 0 3 228.321 0.548 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NC[C@H]1CCCO1 ZINC000308859883 582896509 /nfs/dbraw/zinc/89/65/09/582896509.db2.gz RBHGYFGJNZJYJQ-PSASIEDQSA-N 0 3 212.293 0.422 20 0 BCADHN COc1ccc(CNCCCNC(C)=O)nc1 ZINC000892506732 582900899 /nfs/dbraw/zinc/90/08/99/582900899.db2.gz LDDAYYKZHRLMMU-UHFFFAOYSA-N 0 3 237.303 0.706 20 0 BCADHN C[C@]1(CNc2ccncc2CO)CCOC1 ZINC000892510598 582902101 /nfs/dbraw/zinc/90/21/01/582902101.db2.gz OLBNSLABWUUPOZ-GFCCVEGCSA-N 0 3 222.288 0.834 20 0 BCADHN CC(=O)OC[C@@H](C)NCCn1cccn1 ZINC000892658008 582942331 /nfs/dbraw/zinc/94/23/31/582942331.db2.gz CAGRVCZGHCBTPK-SECBINFHSA-N 0 3 211.265 0.424 20 0 BCADHN COc1ccc2nccc(NC(CO)CO)c2c1 ZINC000892681253 582952556 /nfs/dbraw/zinc/95/25/56/582952556.db2.gz HCYCDWBNLBFALB-UHFFFAOYSA-N 0 3 248.282 0.430 20 0 BCADHN CC(=O)OC[C@@H](C)N[C@H](C)Cc1cnccn1 ZINC000892689609 582956339 /nfs/dbraw/zinc/95/63/39/582956339.db2.gz MPXWSHVLTUPLBG-NXEZZACHSA-N 0 3 237.303 0.949 20 0 BCADHN COC[C@](C)(CCO)NC[C@@H]1COC(C)(C)O1 ZINC000851807497 582967601 /nfs/dbraw/zinc/96/76/01/582967601.db2.gz GYFPAOZPILRLGX-PWSUYJOCSA-N 0 3 247.335 0.515 20 0 BCADHN Cc1nc(C)n(C[C@H]2CCCN2C[C@H](C)O)n1 ZINC000376941735 582969604 /nfs/dbraw/zinc/96/96/04/582969604.db2.gz SJMWYCOFIDBRJJ-JOYOIKCWSA-N 0 3 238.335 0.740 20 0 BCADHN CCn1cc(CNCCC(=O)NC)c(C)n1 ZINC000892727290 582971192 /nfs/dbraw/zinc/97/11/92/582971192.db2.gz KACUVFGZMJMRIJ-UHFFFAOYSA-N 0 3 224.308 0.437 20 0 BCADHN C[C@]1(O)CCCN(C[C@H](O)c2ccccn2)C1 ZINC000851887035 582975778 /nfs/dbraw/zinc/97/57/78/582975778.db2.gz UAQZUYPVLZHTEG-STQMWFEESA-N 0 3 236.315 0.962 20 0 BCADHN CCn1cc(CNCCC(=O)N(C)C)c(C)n1 ZINC000892751724 582976044 /nfs/dbraw/zinc/97/60/44/582976044.db2.gz ZWPHPWFFNRNZPS-UHFFFAOYSA-N 0 3 238.335 0.779 20 0 BCADHN COCCC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892785891 582981998 /nfs/dbraw/zinc/98/19/98/582981998.db2.gz RGLUVJZAWQZKMO-GFCCVEGCSA-N 0 3 226.320 0.623 20 0 BCADHN CO[C@H](C)C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892788243 582983513 /nfs/dbraw/zinc/98/35/13/582983513.db2.gz AYCCLNVPVRYBCF-BXKDBHETSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@H]1C[C@H](CNC(=O)N2CCCNCC2)C1 ZINC000892835568 582992099 /nfs/dbraw/zinc/99/20/99/582992099.db2.gz UZVHEUMLGJWFAK-XYPYZODXSA-N 0 3 241.335 0.416 20 0 BCADHN COC[C@H](C)NC[C@H](O)c1ccccn1 ZINC000852019234 582993432 /nfs/dbraw/zinc/99/34/32/582993432.db2.gz VVQOQWOTRSFAON-ONGXEEELSA-N 0 3 210.277 0.740 20 0 BCADHN CCOC(=O)[C@H](C)CNc1nc(C)cc(N)n1 ZINC000892846380 582995439 /nfs/dbraw/zinc/99/54/39/582995439.db2.gz IOSUOJNRRKTROY-SSDOTTSWSA-N 0 3 238.291 0.978 20 0 BCADHN C[C@]1(F)CCCN(C[C@@H]2CNC(=O)C2)C1 ZINC000852097488 583001035 /nfs/dbraw/zinc/00/10/35/583001035.db2.gz XEQBNFQFKFEOSN-ONGXEEELSA-N 0 3 214.284 0.947 20 0 BCADHN CCC(=O)N1CC[C@@H](Nc2nc(C)cc(N)n2)C1 ZINC000892929191 583011083 /nfs/dbraw/zinc/01/10/83/583011083.db2.gz MKRDJNGFPVQBAT-SECBINFHSA-N 0 3 249.318 0.790 20 0 BCADHN CC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H](C)N1 ZINC000856408357 588871847 /nfs/dbraw/zinc/87/18/47/588871847.db2.gz LAWLANQRQAVVLQ-VHSXEESVSA-N 0 3 236.319 0.551 20 0 BCADHN CC(C)[C@@H](F)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000784512297 583017145 /nfs/dbraw/zinc/01/71/45/583017145.db2.gz NUHJDQGHQDOMNF-MWLCHTKSSA-N 0 3 232.299 0.163 20 0 BCADHN C[C@@H]1CCCC[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852800770 583017344 /nfs/dbraw/zinc/01/73/44/583017344.db2.gz BPKIVGCLYHYKFL-KXUCPTDWSA-N 0 3 239.319 0.785 20 0 BCADHN OCc1cnccc1N[C@H]1CC[C@H](O)CC1 ZINC000892960202 583021210 /nfs/dbraw/zinc/02/12/10/583021210.db2.gz UXRMWQAACOBZJF-XYPYZODXSA-N 0 3 222.288 0.711 20 0 BCADHN 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583672041 /nfs/dbraw/zinc/67/20/41/583672041.db2.gz LJRBURLYGFYYHD-VXNVDRBHSA-N 0 3 228.292 0.052 20 0 BCADHN CO[C@@]1(C)C[C@H]1N[C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000895458618 583676931 /nfs/dbraw/zinc/67/69/31/583676931.db2.gz GNRKBBQNDCZCCQ-ZDCRXTMVSA-N 0 3 247.360 0.577 20 0 BCADHN Cc1coc(CN2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1 ZINC000895456535 583677391 /nfs/dbraw/zinc/67/73/91/583677391.db2.gz GURXPGLJORCRNS-PHIMTYICSA-N 0 3 248.282 0.635 20 0 BCADHN COC(=O)[C@]12C[C@H]1C[C@H](NCc1c[nH]cn1)C2 ZINC000895458819 583677421 /nfs/dbraw/zinc/67/74/21/583677421.db2.gz ZOPPQINNPYJTCN-PTRXPTGYSA-N 0 3 235.287 0.841 20 0 BCADHN COC(=O)[C@]12C[C@H]1C[C@H](NCc1cnc[nH]1)C2 ZINC000895458819 583677422 /nfs/dbraw/zinc/67/74/22/583677422.db2.gz ZOPPQINNPYJTCN-PTRXPTGYSA-N 0 3 235.287 0.841 20 0 BCADHN CCCONC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000895513488 583682230 /nfs/dbraw/zinc/68/22/30/583682230.db2.gz JFNNPWOANMXOCI-NXEZZACHSA-N 0 3 227.308 0.674 20 0 BCADHN C[C@@H]1CC2(CC(NCc3cn[nH]n3)C2)CO1 ZINC000895530000 583685329 /nfs/dbraw/zinc/68/53/29/583685329.db2.gz DFDIEKFJLUITIX-FKTRJACZSA-N 0 3 222.292 0.852 20 0 BCADHN C[C@H]1CO[C@H](C(=O)NC2CCN(C)CC2)C1 ZINC000895522040 583686156 /nfs/dbraw/zinc/68/61/56/583686156.db2.gz PBKGBNCNTRSPAJ-KOLCDFICSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@]1(CN2CCN(C)C(C)(C)C2)CCOC1 ZINC000895565158 583694065 /nfs/dbraw/zinc/69/40/65/583694065.db2.gz VMSAMSZVSAPXFF-ZDUSSCGKSA-N 0 3 242.363 0.818 20 0 BCADHN Cc1cc(CN[C@H]2C[C@H](C(N)=O)C2)cnc1F ZINC000895588768 583694675 /nfs/dbraw/zinc/69/46/75/583694675.db2.gz HVFIYSKLLVXYNG-MGCOHNPYSA-N 0 3 237.278 0.883 20 0 BCADHN CO[C@]1(C(=O)NC[C@H](C)N(C)C)CCSC1 ZINC000895682643 583708912 /nfs/dbraw/zinc/70/89/12/583708912.db2.gz VOQHDOPCKWRRLU-GXSJLCMTSA-N 0 3 246.376 0.575 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CCC[C@H]2CCO2)C1 ZINC000895702553 583709437 /nfs/dbraw/zinc/70/94/37/583709437.db2.gz QJPRLTOYHSBHTN-CMPLNLGQSA-N 0 3 243.303 0.165 20 0 BCADHN CCC[C@H](CN1CC[C@](O)(C(=O)OC)C1)OC ZINC000895702882 583709865 /nfs/dbraw/zinc/70/98/65/583709865.db2.gz GFGCZGIEVFHERD-ZYHUDNBSSA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CC2(C)CC2)C1 ZINC000895704261 583710522 /nfs/dbraw/zinc/71/05/22/583710522.db2.gz SVNHZSHUDHEHMO-LLVKDONJSA-N 0 3 213.277 0.396 20 0 BCADHN CO[C@@H](C)CNC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000895741538 583714514 /nfs/dbraw/zinc/71/45/14/583714514.db2.gz GQPXQEKGQUCSFZ-HBNTYKKESA-N 0 3 241.335 0.367 20 0 BCADHN OC[C@H](C[C@@H]1CCCO1)NC1CSC1 ZINC000895749239 583717225 /nfs/dbraw/zinc/71/72/25/583717225.db2.gz PXMNQRMDSGHEGF-WPRPVWTQSA-N 0 3 217.334 0.621 20 0 BCADHN C[C@H]1[C@@H](Nc2cnc(CO)cn2)CCN1C ZINC000895738035 583718218 /nfs/dbraw/zinc/71/82/18/583718218.db2.gz SHGSCWXTZUECDZ-WPRPVWTQSA-N 0 3 222.292 0.473 20 0 BCADHN C[C@@H]1[C@H](Nc2cncc3ncnn32)CCN1C ZINC000895735951 583718363 /nfs/dbraw/zinc/71/83/63/583718363.db2.gz IXHKLCBZBSNERZ-RKDXNWHRSA-N 0 3 232.291 0.629 20 0 BCADHN C[C@H]1[C@@H](Nc2cncc3ncnn32)CCN1C ZINC000895735950 583718397 /nfs/dbraw/zinc/71/83/97/583718397.db2.gz IXHKLCBZBSNERZ-IUCAKERBSA-N 0 3 232.291 0.629 20 0 BCADHN C[C@H]1[C@H](Nc2cnc(CO)cn2)CCN1C ZINC000895738034 583718501 /nfs/dbraw/zinc/71/85/01/583718501.db2.gz SHGSCWXTZUECDZ-WCBMZHEXSA-N 0 3 222.292 0.473 20 0 BCADHN Cc1nnc2ccc(N[C@@H]3CCN(C)[C@@H]3C)nn12 ZINC000895738585 583718834 /nfs/dbraw/zinc/71/88/34/583718834.db2.gz MNHIGSGIKGOQGH-PSASIEDQSA-N 0 3 246.318 0.937 20 0 BCADHN CN1CC[C@@H]1CNc1ccnc(CO)c1 ZINC000895766906 583719054 /nfs/dbraw/zinc/71/90/54/583719054.db2.gz GXKWHUZUXKCWDS-LLVKDONJSA-N 0 3 207.277 0.690 20 0 BCADHN Cc1cc(N)nc(NC[C@@H]2CCN2C)n1 ZINC000895766532 583719084 /nfs/dbraw/zinc/71/90/84/583719084.db2.gz DSSRLRNVDCERSI-QMMMGPOBSA-N 0 3 207.281 0.483 20 0 BCADHN Cc1cc(N)nc(N[C@@H]2CCN(C)[C@@H]2C)n1 ZINC000895738501 583719400 /nfs/dbraw/zinc/71/94/00/583719400.db2.gz WUHJFFNMLJMJPI-RKDXNWHRSA-N 0 3 221.308 0.872 20 0 BCADHN Cc1cc(N)nc(N[C@H]2CCN(C)[C@@H]2C)n1 ZINC000895738498 583719549 /nfs/dbraw/zinc/71/95/49/583719549.db2.gz WUHJFFNMLJMJPI-BDAKNGLRSA-N 0 3 221.308 0.872 20 0 BCADHN O=c1oc2ccc(CN[C@H]3C[C@@H](O)C3)cc2o1 ZINC000883139492 583721845 /nfs/dbraw/zinc/72/18/45/583721845.db2.gz OGTWKFXQGABNCY-DTORHVGOSA-N 0 3 235.239 0.999 20 0 BCADHN CC(C)=CCN[C@H]1C(=O)NCC12CCOCC2 ZINC000895768213 583723218 /nfs/dbraw/zinc/72/32/18/583723218.db2.gz GMRPCMMICKJOIN-NSHDSACASA-N 0 3 238.331 0.837 20 0 BCADHN COC(OC)[C@H](C)N[C@H](C)Cn1cncn1 ZINC000895790739 583728127 /nfs/dbraw/zinc/72/81/27/583728127.db2.gz VFUDLBRHFOWDNN-BDAKNGLRSA-N 0 3 228.296 0.264 20 0 BCADHN COC(=O)C1CC(NC[C@H]2COC(C)(C)O2)C1 ZINC000895830997 583735476 /nfs/dbraw/zinc/73/54/76/583735476.db2.gz OZYBGFJRNDYABQ-RTBKNWGFSA-N 0 3 243.303 0.679 20 0 BCADHN C[C@H](N[C@H]1CS(=O)(=O)C1(C)C)[C@H]1CCOC1 ZINC000895982511 583758025 /nfs/dbraw/zinc/75/80/25/583758025.db2.gz BPFBADXOEVCENX-GUBZILKMSA-N 0 3 247.360 0.577 20 0 BCADHN COC[C@@H](C)CN[C@H]1CS(=O)(=O)C1(C)C ZINC000895983199 583758188 /nfs/dbraw/zinc/75/81/88/583758188.db2.gz XQMSNCXYACLPKP-IUCAKERBSA-N 0 3 235.349 0.434 20 0 BCADHN C[C@@H]1CSC[C@@H]1N[C@H]1CS(=O)(=O)C1(C)C ZINC000895983336 583758320 /nfs/dbraw/zinc/75/83/20/583758320.db2.gz LJNULHYMIAEQJA-VGMNWLOBSA-N 0 3 249.401 0.903 20 0 BCADHN C[C@@H]1CC[C@@H]1N[C@H]1CS(=O)(=O)C1(C)C ZINC000895982701 583758450 /nfs/dbraw/zinc/75/84/50/583758450.db2.gz RAMAHXGFTXGMIJ-VGMNWLOBSA-N 0 3 217.334 0.950 20 0 BCADHN CCO[C@H](CNc1cc(=O)[n-]cn1)C[NH+](C)C ZINC000896111562 583771701 /nfs/dbraw/zinc/77/17/01/583771701.db2.gz ZMXXWHKXUNXYTK-SECBINFHSA-N 0 3 240.307 0.561 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N2CCC[C@H]2CN(C)C)C1 ZINC000896112207 583771753 /nfs/dbraw/zinc/77/17/53/583771753.db2.gz URPGAJXQYNQWFW-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN Cc1cc(N)nc(NCC[C@@H]2CNC(=O)C2)n1 ZINC000896134597 583775030 /nfs/dbraw/zinc/77/50/30/583775030.db2.gz LOKOFZNAEZUMCQ-QMMMGPOBSA-N 0 3 235.291 0.305 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCn2cncc21 ZINC000857985224 588928874 /nfs/dbraw/zinc/92/88/74/588928874.db2.gz NJIQLXLMFPEBJU-JTQLQIEISA-N 0 3 236.319 0.784 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000896268136 583788262 /nfs/dbraw/zinc/78/82/62/583788262.db2.gz VWIKVYYNIWBLDN-QJPTWQEYSA-N 0 3 240.347 0.869 20 0 BCADHN OCc1cnccc1NCCO[C@@H]1CCOC1 ZINC000896473583 583803333 /nfs/dbraw/zinc/80/33/33/583803333.db2.gz OMFYHPRBTAPPFT-LLVKDONJSA-N 0 3 238.287 0.213 20 0 BCADHN CC(C)(C)N1CC[C@@H]1C(=O)NCc1cnc[nH]1 ZINC000896497193 583806702 /nfs/dbraw/zinc/80/67/02/583806702.db2.gz GQGUZADVUFIGNI-SNVBAGLBSA-N 0 3 236.319 0.899 20 0 BCADHN C[C@H]1[C@@H](NCc2cn3cccnc3n2)CCN1C ZINC000896553666 583811439 /nfs/dbraw/zinc/81/14/39/583811439.db2.gz FPJUKGUYSODXNQ-JQWIXIFHSA-N 0 3 245.330 0.912 20 0 BCADHN C[C@@H]1[C@@H](NCc2cn3cccnc3n2)CCN1C ZINC000896553667 583811959 /nfs/dbraw/zinc/81/19/59/583811959.db2.gz FPJUKGUYSODXNQ-PWSUYJOCSA-N 0 3 245.330 0.912 20 0 BCADHN COC[C@](C)(O)CNCc1ccnc(F)c1 ZINC000858134335 588934229 /nfs/dbraw/zinc/93/42/29/588934229.db2.gz PVWNGIXQVKEHIO-LLVKDONJSA-N 0 3 228.267 0.708 20 0 BCADHN CCN(CCC(N)=O)Cc1ccc(OC)o1 ZINC000896706684 583823592 /nfs/dbraw/zinc/82/35/92/583823592.db2.gz HXXVNXGOANPEAL-UHFFFAOYSA-N 0 3 226.276 0.986 20 0 BCADHN Cc1cc(N)nc(N[C@H]2C[C@H](CO)C2)n1 ZINC000896695103 583824421 /nfs/dbraw/zinc/82/44/21/583824421.db2.gz MVUHSOFNZRNRTA-ZKCHVHJHSA-N 0 3 208.265 0.550 20 0 BCADHN CCN(CCC(N)=O)Cc1c[nH]nc1C ZINC000896714328 583826406 /nfs/dbraw/zinc/82/64/06/583826406.db2.gz BJWHNKWGHIEPGJ-UHFFFAOYSA-N 0 3 210.281 0.415 20 0 BCADHN CCN(CCC(N)=O)Cc1ccc(F)nc1 ZINC000896713215 583826525 /nfs/dbraw/zinc/82/65/25/583826525.db2.gz UOKPACVIGPYDSA-UHFFFAOYSA-N 0 3 225.267 0.918 20 0 BCADHN CCN1CCC[C@@H](N[C@@H](C)COC(C)=O)C1=O ZINC000896728968 583827292 /nfs/dbraw/zinc/82/72/92/583827292.db2.gz JUIVBUJAOKUGLF-GXSJLCMTSA-N 0 3 242.319 0.539 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@H]2COC[C@H]2C)[C@H]1OC ZINC000896733112 583828103 /nfs/dbraw/zinc/82/81/03/583828103.db2.gz MLOYTDXSQMPRNR-YBXAARCKSA-N 0 3 229.320 0.803 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N(C)CCN(C)C)C1 ZINC000896819123 583836566 /nfs/dbraw/zinc/83/65/66/583836566.db2.gz PUELXELKOTYFNX-VHSXEESVSA-N 0 3 214.309 0.431 20 0 BCADHN CCc1cc(C(=O)N(C)CCN(C)C)no1 ZINC000896821873 583837169 /nfs/dbraw/zinc/83/71/69/583837169.db2.gz WRDDFUGMHUBQNA-UHFFFAOYSA-N 0 3 225.292 0.871 20 0 BCADHN CO[C@@H]1CCCN(C(=S)NCCN(C)C)C1 ZINC000727980563 583840449 /nfs/dbraw/zinc/84/04/49/583840449.db2.gz SSCKQMOUTDIGCB-SNVBAGLBSA-N 0 3 245.392 0.533 20 0 BCADHN CC(C)CONC(=O)NCCOCCN(C)C ZINC000788017126 583845665 /nfs/dbraw/zinc/84/56/65/583845665.db2.gz IRGJRNNPAKRVRA-UHFFFAOYSA-N 0 3 247.339 0.451 20 0 BCADHN COc1cc(N2C[C@@H]3CN(C)C[C@]3(C)C2)ncn1 ZINC000896914556 583854319 /nfs/dbraw/zinc/85/43/19/583854319.db2.gz KVIIVKNPVBDTRU-GXFFZTMASA-N 0 3 248.330 0.873 20 0 BCADHN O[C@]1(CCNCc2ccnc(F)c2)CCOC1 ZINC000858184278 588937578 /nfs/dbraw/zinc/93/75/78/588937578.db2.gz JZCQWTHYBFCQQZ-GFCCVEGCSA-N 0 3 240.278 0.852 20 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583893035 /nfs/dbraw/zinc/89/30/35/583893035.db2.gz JNBYAPIRXQLKNQ-GXSJLCMTSA-N 0 3 231.292 0.333 20 0 BCADHN CN(C)CCNC(=O)Cc1ccc(C=O)cc1 ZINC000858104312 588933321 /nfs/dbraw/zinc/93/33/21/588933321.db2.gz GFWZVFUSUPKRIF-UHFFFAOYSA-N 0 3 234.299 0.719 20 0 BCADHN OCCN1CCC[C@H]2[C@@H]1CCN2c1cccnn1 ZINC000897221018 583897345 /nfs/dbraw/zinc/89/73/45/583897345.db2.gz GAIOXPGBRKAUSF-RYUDHWBXSA-N 0 3 248.330 0.512 20 0 BCADHN CO[C@@]1(C)C[C@@H](N(C)C(=O)[C@H](C)N)C1(C)C ZINC000121651349 583927663 /nfs/dbraw/zinc/92/76/63/583927663.db2.gz MAYXENGUVCNEBM-SBMIAAHKSA-N 0 3 228.336 0.996 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000871013882 583933803 /nfs/dbraw/zinc/93/38/03/583933803.db2.gz QSLQJARXFKEDSX-GARJFASQSA-N 0 3 226.320 0.655 20 0 BCADHN Cc1ncc(CNCCN2CC[C@@H](O)C2)s1 ZINC000858299224 588943386 /nfs/dbraw/zinc/94/33/86/588943386.db2.gz RNDJDHVKJFURIF-SNVBAGLBSA-N 0 3 241.360 0.608 20 0 BCADHN C[C@H]1CCCN1C(=S)NCCN(C)C ZINC000751895543 583938272 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ZINC000898429327 584132441 /nfs/dbraw/zinc/13/24/41/584132441.db2.gz MUKWNECHIUQGDR-KHVHVRLGSA-N 0 3 202.685 0.997 20 0 BCADHN CN(C)CCN(C)C(=O)NC/C=C/Cl ZINC000899052632 584173566 /nfs/dbraw/zinc/17/35/66/584173566.db2.gz YFBKFSJFGQLYSS-SNAWJCMRSA-N 0 3 219.716 0.942 20 0 BCADHN CC[C@H](C)N[C@H](CNC(=O)CO)c1ccco1 ZINC000899077582 584175580 /nfs/dbraw/zinc/17/55/80/584175580.db2.gz ASOBOQFUKZBFKQ-VHSXEESVSA-N 0 3 240.303 0.817 20 0 BCADHN OCc1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)ccn1 ZINC000858553355 588964949 /nfs/dbraw/zinc/96/49/49/588964949.db2.gz OGKQUVGTZRTFIM-GDNZZTSVSA-N 0 3 220.272 0.248 20 0 BCADHN CON(C)C(=O)[C@H](C)NC1CCOCC1 ZINC000858578445 588965396 /nfs/dbraw/zinc/96/53/96/588965396.db2.gz HTYBDNWGWBZFBZ-QMMMGPOBSA-N 0 3 216.281 0.163 20 0 BCADHN CCC[C@@H](O)CCNC(=S)NCCN(C)C ZINC000899572360 584219738 /nfs/dbraw/zinc/21/97/38/584219738.db2.gz DQXJDQVFRAXOOJ-SNVBAGLBSA-N 0 3 247.408 0.563 20 0 BCADHN CCO[C@H](CNC(=S)NC)CN(C)C ZINC000899567690 584219953 /nfs/dbraw/zinc/21/99/53/584219953.db2.gz YZFCBAXGSOACKW-MRVPVSSYSA-N 0 3 219.354 0.047 20 0 BCADHN C[C@]1(CNc2ccnc(CO)c2)CCC(=O)N1 ZINC000858566257 588966693 /nfs/dbraw/zinc/96/66/93/588966693.db2.gz OYFVPZDOCJHWLP-GFCCVEGCSA-N 0 3 235.287 0.655 20 0 BCADHN CO[C@@H]1CC[C@H]1N(C)C(=S)NCCN(C)C ZINC000899660259 584222807 /nfs/dbraw/zinc/22/28/07/584222807.db2.gz RGBYXBBNUMIUHL-NXEZZACHSA-N 0 3 245.392 0.532 20 0 BCADHN CCC[C@H](O)[C@H](CO)Nc1ccnc(CO)c1 ZINC000858568788 588967227 /nfs/dbraw/zinc/96/72/27/588967227.db2.gz XETVQVYPJLJEMQ-RYUDHWBXSA-N 0 3 240.303 0.508 20 0 BCADHN CO[C@@H]1COC[C@@H]1Nc1ccnc(CO)c1 ZINC000858568321 588967287 /nfs/dbraw/zinc/96/72/87/588967287.db2.gz KVCCSOIINHICMX-WDEREUQCSA-N 0 3 224.260 0.400 20 0 BCADHN Cc1ccc(C(=O)NCCN(C)CCO)o1 ZINC000899726421 584230084 /nfs/dbraw/zinc/23/00/84/584230084.db2.gz MOSXEIJMYXMLGD-UHFFFAOYSA-N 0 3 226.276 0.242 20 0 BCADHN CCC[C@H](C)C(=O)NCCN(C)CCO ZINC000899730087 584230799 /nfs/dbraw/zinc/23/07/99/584230799.db2.gz SAMSJZQNJLKWKP-JTQLQIEISA-N 0 3 216.325 0.463 20 0 BCADHN Cc1ccoc1C(=O)NCCN(C)CCO ZINC000899728123 584231178 /nfs/dbraw/zinc/23/11/78/584231178.db2.gz LMZHVVQYCYNYBC-UHFFFAOYSA-N 0 3 226.276 0.242 20 0 BCADHN CN(CCO)CCNC(=O)C(F)=C1CCCC1 ZINC000899735049 584231331 /nfs/dbraw/zinc/23/13/31/584231331.db2.gz UZAQVWZQGZHGAM-UHFFFAOYSA-N 0 3 244.310 0.824 20 0 BCADHN CN(CCO)CCNC(=O)CCC(C)(F)F ZINC000899731595 584231358 /nfs/dbraw/zinc/23/13/58/584231358.db2.gz BQRSJTJSLNFUQD-UHFFFAOYSA-N 0 3 238.278 0.462 20 0 BCADHN CCCC1(C(=O)NCCN(C)CCO)CCC1 ZINC000899734641 584231788 /nfs/dbraw/zinc/23/17/88/584231788.db2.gz NYSJJAWCXGINAP-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN Cc1cncc(C(=O)NCCN(C)CCO)c1 ZINC000899734623 584232034 /nfs/dbraw/zinc/23/20/34/584232034.db2.gz NCCBQIZRJNXTFO-UHFFFAOYSA-N 0 3 237.303 0.044 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)NCCN(C)CCO ZINC000899738561 584232363 /nfs/dbraw/zinc/23/23/63/584232363.db2.gz GTCMOPULGMCUTJ-NXEZZACHSA-N 0 3 214.309 0.073 20 0 BCADHN CC[C@@H](C)[C@H](OC)C(=O)NCCN(C)CCO ZINC000899738204 584232735 /nfs/dbraw/zinc/23/27/35/584232735.db2.gz SZJVSXSGUUEAAU-MNOVXSKESA-N 0 3 246.351 0.088 20 0 BCADHN CN(CCO)CCNC(=O)C1(C)CCCCC1 ZINC000899737226 584232798 /nfs/dbraw/zinc/23/27/98/584232798.db2.gz FCIKTFCTIJMVOB-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN CN(CCO)CCNC(=O)CC(C)(F)F ZINC000899738362 584233219 /nfs/dbraw/zinc/23/32/19/584233219.db2.gz YBYNRWWCPJUJJC-UHFFFAOYSA-N 0 3 224.251 0.072 20 0 BCADHN C[C@@]1(O)C[C@H](Nc2ccnc(CO)c2)C1 ZINC000858573021 588967602 /nfs/dbraw/zinc/96/76/02/588967602.db2.gz WEGLAMATDZFUSB-PHIMTYICSA-N 0 3 208.261 0.899 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1COC2(CCC2)C1 ZINC000858588853 588967620 /nfs/dbraw/zinc/96/76/20/588967620.db2.gz RVCSFZSJOQAORJ-ZJUUUORDSA-N 0 3 242.319 0.696 20 0 BCADHN CC(C)C[C@@H]1C[C@H]1C(=O)NCCN(C)CCO ZINC000899739160 584233569 /nfs/dbraw/zinc/23/35/69/584233569.db2.gz RDMUMEVFKCIXNN-VXGBXAGGSA-N 0 3 242.363 0.709 20 0 BCADHN CN(CCO)CCNC(=O)C(C)(C)C1CCC1 ZINC000899738839 584233652 /nfs/dbraw/zinc/23/36/52/584233652.db2.gz NLPHBFJOONQUOC-UHFFFAOYSA-N 0 3 242.363 0.853 20 0 BCADHN CN(CCO)CCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000899740140 584233805 /nfs/dbraw/zinc/23/38/05/584233805.db2.gz FCXPYVCKJCIBJC-TUAOUCFPSA-N 0 3 240.347 0.463 20 0 BCADHN CN(CCO)CCNC(=O)C(F)=C1CCC1 ZINC000899740026 584234007 /nfs/dbraw/zinc/23/40/07/584234007.db2.gz CIDCNFGMRQHING-UHFFFAOYSA-N 0 3 230.283 0.434 20 0 BCADHN CN(CCO)CCNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000899739165 584234108 /nfs/dbraw/zinc/23/41/08/584234108.db2.gz RFODLRDSUOJDES-MNOVXSKESA-N 0 3 226.320 0.073 20 0 BCADHN CN(CCO)CCNC(=O)[C@@]1(C)CC1(F)F ZINC000899741066 584234160 /nfs/dbraw/zinc/23/41/60/584234160.db2.gz PWVUJHHMIHSUQB-SECBINFHSA-N 0 3 236.262 0.072 20 0 BCADHN C[C@H]1CC[C@H](C(=O)NCCN(C)CCO)CC1 ZINC000899740801 584234196 /nfs/dbraw/zinc/23/41/96/584234196.db2.gz NUXMKPHBAVKNJB-HAQNSBGRSA-N 0 3 242.363 0.853 20 0 BCADHN C[C@H](C(=O)NCCN(C)CCO)C1CCC1 ZINC000899738818 584234205 /nfs/dbraw/zinc/23/42/05/584234205.db2.gz MVFPUEKOLONXKV-JTQLQIEISA-N 0 3 228.336 0.463 20 0 BCADHN CN(CCO)CCNC(=O)C1CC2(CC2)C1 ZINC000899741964 584234548 /nfs/dbraw/zinc/23/45/48/584234548.db2.gz XRAGIZAHVQFFHP-UHFFFAOYSA-N 0 3 226.320 0.217 20 0 BCADHN CN(CCO)CCNC(=O)CCC1CC1 ZINC000899733449 584234597 /nfs/dbraw/zinc/23/45/97/584234597.db2.gz BTRPSNUGANWJDO-UHFFFAOYSA-N 0 3 214.309 0.217 20 0 BCADHN CCC[C@@H](CC)C(=O)NCCN(C)CCO ZINC000899741850 584235096 /nfs/dbraw/zinc/23/50/96/584235096.db2.gz LYGFBEICSLJXEF-LLVKDONJSA-N 0 3 230.352 0.853 20 0 BCADHN C[C@H](C(=O)NCCN(C)CCO)C1CCCC1 ZINC000899734349 584235474 /nfs/dbraw/zinc/23/54/74/584235474.db2.gz BCDXWEDYVVBCFW-NSHDSACASA-N 0 3 242.363 0.853 20 0 BCADHN CN(CCO)CCNC(=O)[C@@H]1Cc2ccccc21 ZINC000899733969 584235680 /nfs/dbraw/zinc/23/56/80/584235680.db2.gz OYDZXDQWXRYZJR-CYBMUJFWSA-N 0 3 248.326 0.367 20 0 BCADHN C[C@H](C(=O)NCCN(C)CCO)C(F)(F)F ZINC000899734574 584235830 /nfs/dbraw/zinc/23/58/30/584235830.db2.gz LGJHZBJHKOWPKN-SSDOTTSWSA-N 0 3 242.241 0.225 20 0 BCADHN CNC(=O)[C@H]1CCN(c2ccnc(CO)c2)C1 ZINC000858575153 588968042 /nfs/dbraw/zinc/96/80/42/588968042.db2.gz ZKKQKSUGRYTZBG-VIFPVBQESA-N 0 3 235.287 0.146 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H](C)[C@H]1CCCO1 ZINC000858578161 588968469 /nfs/dbraw/zinc/96/84/69/588968469.db2.gz HILZRBMQIUXDAI-LPEHRKFASA-N 0 3 230.308 0.552 20 0 BCADHN CCC1(C)CN(C[C@H](O)C2(O)CCC2)C1 ZINC000899884971 584246708 /nfs/dbraw/zinc/24/67/08/584246708.db2.gz DCTBIKWURCASMJ-JTQLQIEISA-N 0 3 213.321 0.994 20 0 BCADHN CC[C@@H](O)[C@@H](C)C(=O)NCCN(C)C ZINC000899920387 584252261 /nfs/dbraw/zinc/25/22/61/584252261.db2.gz NMIQFLGFXYLJFH-RKDXNWHRSA-N 0 3 202.298 0.071 20 0 BCADHN CON(C)C(=O)[C@H](C)NC1CCSCC1 ZINC000858582039 588969140 /nfs/dbraw/zinc/96/91/40/588969140.db2.gz LSKNNHQIACBQJE-QMMMGPOBSA-N 0 3 232.349 0.880 20 0 BCADHN CCCNC(=O)CCN1CCN(C(C)C)CC1 ZINC000899932182 584255974 /nfs/dbraw/zinc/25/59/74/584255974.db2.gz GDCHJHCJNMGPAB-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN C/C=C/[C@H](O)C(=O)NC1CCN(C)CC1 ZINC000900002388 584263045 /nfs/dbraw/zinc/26/30/45/584263045.db2.gz RMRXMBNRXWARGU-FSIBCCDJSA-N 0 3 212.293 0.134 20 0 BCADHN CCN(OC)C(=O)CNc1ccnc(CO)c1 ZINC000858600318 588969979 /nfs/dbraw/zinc/96/99/79/588969979.db2.gz QPTCANYWCZWCFY-UHFFFAOYSA-N 0 3 239.275 0.396 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1COC(C)(C)C1 ZINC000858588965 588970098 /nfs/dbraw/zinc/97/00/98/588970098.db2.gz WMUZWLBHIDNVKO-BDAKNGLRSA-N 0 3 230.308 0.552 20 0 BCADHN CCC/C=C/[C@H](O)C(=O)NCCN1CCCC1 ZINC000900011365 584265875 /nfs/dbraw/zinc/26/58/75/584265875.db2.gz PZDADGPKHRWPMQ-NTYUQYKDSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@H]1CO[C@@H](C(=O)NCCN2CCCC2)C1 ZINC000900011626 584266143 /nfs/dbraw/zinc/26/61/43/584266143.db2.gz XHBZPYLXCZRDCU-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN Cc1nc(C)c(C(=O)NCCN2CCCC2)[nH]1 ZINC000900010939 584266318 /nfs/dbraw/zinc/26/63/18/584266318.db2.gz FNCLMVGNMMNGDE-UHFFFAOYSA-N 0 3 236.319 0.852 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H](C)[C@@H]1CCCCO1 ZINC000858588834 588970320 /nfs/dbraw/zinc/97/03/20/588970320.db2.gz RDPGQIHGZVJPJQ-MXWKQRLJSA-N 0 3 244.335 0.942 20 0 BCADHN C/C=C\[C@H](O)C(=O)NC1CCN(C2CC2)CC1 ZINC000900054009 584268551 /nfs/dbraw/zinc/26/85/51/584268551.db2.gz KFNKEBZBFZYBFR-DLGQBQFBSA-N 0 3 238.331 0.666 20 0 BCADHN C[C@H]1C(=O)N(C)CN1c1ccnc(CO)c1 ZINC000858601809 588970665 /nfs/dbraw/zinc/97/06/65/588970665.db2.gz KOGCQCPPOSXMEY-QMMMGPOBSA-N 0 3 221.260 0.198 20 0 BCADHN OCc1cc(N[C@H](CO)CCF)ccn1 ZINC000858607018 588970878 /nfs/dbraw/zinc/97/08/78/588970878.db2.gz ULDNOWOQGLASOA-VIFPVBQESA-N 0 3 214.240 0.706 20 0 BCADHN CNCCN(C)S(=O)(=O)CCC(F)(F)F ZINC000858611842 588971173 /nfs/dbraw/zinc/97/11/73/588971173.db2.gz TZJXYYSTDUZCBM-UHFFFAOYSA-N 0 3 248.270 0.420 20 0 BCADHN Cc1ncc(C(=O)NC[C@@H](C)N(C)C)n1C ZINC000900163443 584281364 /nfs/dbraw/zinc/28/13/64/584281364.db2.gz QDHQYIBBKRTGEK-MRVPVSSYSA-N 0 3 224.308 0.408 20 0 BCADHN CCC/C=C\[C@H](O)C(=O)NC[C@@H](C)N(C)C ZINC000900162688 584281448 /nfs/dbraw/zinc/28/14/48/584281448.db2.gz IBJMEEJTDRGICJ-UOECRDIDSA-N 0 3 228.336 0.770 20 0 BCADHN CCC/C=C\[C@H](O)C(=O)NC[C@H](C)N(C)C ZINC000900162690 584281469 /nfs/dbraw/zinc/28/14/69/584281469.db2.gz IBJMEEJTDRGICJ-ZXXKLBARSA-N 0 3 228.336 0.770 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N(C/C=C/Cl)C1=O ZINC000900182649 584283625 /nfs/dbraw/zinc/28/36/25/584283625.db2.gz CCDOWANNHOSBBP-SDLBARTOSA-N 0 3 231.683 0.221 20 0 BCADHN CCn1cc(NC(=O)C23CCN(CC2)C3)cn1 ZINC000900187854 584284102 /nfs/dbraw/zinc/28/41/02/584284102.db2.gz OONHTKRLUADERR-UHFFFAOYSA-N 0 3 234.303 0.937 20 0 BCADHN Cc1n[nH]cc1CCCNC(=O)Cc1cnc[nH]1 ZINC000900186869 584284192 /nfs/dbraw/zinc/28/41/92/584284192.db2.gz BOHLXIUIWMHGEG-UHFFFAOYSA-N 0 3 247.302 0.733 20 0 BCADHN C/C=C\[C@@H](O)C(=O)NCCN1CCC(C)CC1 ZINC000900204660 584285764 /nfs/dbraw/zinc/28/57/64/584285764.db2.gz MXAFVGNJPWTZCP-VSQXVHSFSA-N 0 3 240.347 0.772 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900203368 584286018 /nfs/dbraw/zinc/28/60/18/584286018.db2.gz HBQGXGHCKIIAJQ-MDZLAQPJSA-N 0 3 240.347 0.605 20 0 BCADHN C/C=C\[C@H](O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000900209962 584286486 /nfs/dbraw/zinc/28/64/86/584286486.db2.gz VPCAAWFHIUQIDX-OPUZMVJGSA-N 0 3 240.347 0.772 20 0 BCADHN CN1CC[C@H](CNC(=O)c2n[nH]cc2F)C1 ZINC000900306279 584293456 /nfs/dbraw/zinc/29/34/56/584293456.db2.gz QHORHGBKBDOSLR-SSDOTTSWSA-N 0 3 226.255 0.230 20 0 BCADHN CCC/C=C/[C@@H](O)C(=O)NCCN(C)C1CC1 ZINC000900368020 584297319 /nfs/dbraw/zinc/29/73/19/584297319.db2.gz YOLFLRBPWMFQHS-BTDICHCPSA-N 0 3 240.347 0.914 20 0 BCADHN CCC/C=C\[C@H](O)C(=O)NCCN(C)C1CC1 ZINC000900368021 584297572 /nfs/dbraw/zinc/29/75/72/584297572.db2.gz YOLFLRBPWMFQHS-FJOGCWAESA-N 0 3 240.347 0.914 20 0 BCADHN O=C(Cc1c[nH]cn1)N[C@@H]1CCN(C2CC2)C1 ZINC000900371974 584298080 /nfs/dbraw/zinc/29/80/80/584298080.db2.gz MDQWDXYVFVBHNM-SECBINFHSA-N 0 3 234.303 0.305 20 0 BCADHN C[C@@H]1CCN(C(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900483070 584316151 /nfs/dbraw/zinc/31/61/51/584316151.db2.gz AMKBURWUUVZKRS-YPMHNXCESA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000900523199 584318493 /nfs/dbraw/zinc/31/84/93/584318493.db2.gz NRCWRLXENRKVBU-UTUOFQBUSA-N 0 3 242.363 0.946 20 0 BCADHN CCn1nccc1NC(=O)C12CCN(CC1)C2 ZINC000900510124 584320361 /nfs/dbraw/zinc/32/03/61/584320361.db2.gz WFWWAHHFOSVXBX-UHFFFAOYSA-N 0 3 234.303 0.937 20 0 BCADHN CC[C@@H](O)[C@@H](C)C(=O)NCCN(C)CCOC ZINC000900518410 584320765 /nfs/dbraw/zinc/32/07/65/584320765.db2.gz PUBBWFUBSBWOBK-GHMZBOCLSA-N 0 3 246.351 0.088 20 0 BCADHN CC[C@@H](O)[C@H](C)C(=O)NCCN(CC)C1CC1 ZINC000900552529 584322016 /nfs/dbraw/zinc/32/20/16/584322016.db2.gz HISBWWBAOKAYGX-CMPLNLGQSA-N 0 3 242.363 0.994 20 0 BCADHN C/C=C\[C@H](O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000900531322 584322858 /nfs/dbraw/zinc/32/28/58/584322858.db2.gz YXAGOFPOZUEPKE-UARRTVENSA-N 0 3 226.320 0.476 20 0 BCADHN CC[C@@H](O)[C@H](C)C(=O)N(C)CCN1CCCC1 ZINC000900561328 584325214 /nfs/dbraw/zinc/32/52/14/584325214.db2.gz PXXOOUNLWBVNPR-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN C/C=C/[C@H](O)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000900563936 584325803 /nfs/dbraw/zinc/32/58/03/584325803.db2.gz ROCIHYICVWPIPV-SQMDOARZSA-N 0 3 240.347 0.866 20 0 BCADHN CN(CCN1CCCC1)C(=O)CC1COC1 ZINC000900559782 584328863 /nfs/dbraw/zinc/32/88/63/584328863.db2.gz FKKQXAFYBWUYJN-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN COCCN1CCC[C@H](NC(=O)CCF)C1 ZINC000900605936 584330595 /nfs/dbraw/zinc/33/05/95/584330595.db2.gz PNDCQIAIXRKFFL-JTQLQIEISA-N 0 3 232.299 0.573 20 0 BCADHN C/C=C\[C@@H](O)C(=O)N(CCC)CCN(C)C ZINC000900585943 584331999 /nfs/dbraw/zinc/33/19/99/584331999.db2.gz DQABCRNWYPKZED-JPVGGKMYSA-N 0 3 228.336 0.724 20 0 BCADHN CCOC(=O)[C@@H]1C[C@H]1Cn1cc([C@H](C)N)nn1 ZINC000900632584 584334226 /nfs/dbraw/zinc/33/42/26/584334226.db2.gz LFSHQCYCMIVJCP-XHNCKOQMSA-N 0 3 238.291 0.497 20 0 BCADHN CCN1CCCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000900631665 584334240 /nfs/dbraw/zinc/33/42/40/584334240.db2.gz BWWHVPNCTOQBJA-UHFFFAOYSA-N 0 3 236.319 0.506 20 0 BCADHN CN1CCC[C@@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC000900631260 584334286 /nfs/dbraw/zinc/33/42/86/584334286.db2.gz ZFCSWSCVKCMYSH-JTQLQIEISA-N 0 3 236.319 0.410 20 0 BCADHN CN(C(=O)COC1CC1)[C@H]1CN2CCC1CC2 ZINC000900660393 584336771 /nfs/dbraw/zinc/33/67/71/584336771.db2.gz FVENRHHQYWIENE-LBPRGKRZSA-N 0 3 238.331 0.718 20 0 BCADHN C/C=C/[C@H](O)C(=O)NC[C@@H]1CCCCN1CC ZINC000900659256 584336823 /nfs/dbraw/zinc/33/68/23/584336823.db2.gz MQGOOOUPMBKOGZ-UEUCCFLYSA-N 0 3 240.347 0.914 20 0 BCADHN C/C=C\[C@H](O)C(=O)N[C@H](CC)CN1CCCC1 ZINC000900731062 584347290 /nfs/dbraw/zinc/34/72/90/584347290.db2.gz IYIPRKNQQONJDJ-NGVDDBCYSA-N 0 3 240.347 0.914 20 0 BCADHN COC[C@H]1CCN(C(=O)C23CCN(CC2)C3)C1 ZINC000900789535 584351959 /nfs/dbraw/zinc/35/19/59/584351959.db2.gz DGRVMJVUXXKJEA-NSHDSACASA-N 0 3 238.331 0.577 20 0 BCADHN COC[C@@H](NC(=O)C12CCN(CC1)C2)C(C)C ZINC000900831928 584354691 /nfs/dbraw/zinc/35/46/91/584354691.db2.gz UGOPRJHRALPXRX-LLVKDONJSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](C)C[C@@H](C)O)N(C)C ZINC000900802527 584355942 /nfs/dbraw/zinc/35/59/42/584355942.db2.gz VTOCJXAGCVAQMP-AXFHLTTASA-N 0 3 230.352 0.850 20 0 BCADHN C/C=C/[C@H](O)C(=O)NCCN(C)CCCOC ZINC000900836497 584358968 /nfs/dbraw/zinc/35/89/68/584358968.db2.gz OMLYNMLJLFBLDB-MALLOTDXSA-N 0 3 244.335 0.008 20 0 BCADHN C/C(Cl)=C\C(=O)NCC1(O)CCN(C)CC1 ZINC000900898422 584361585 /nfs/dbraw/zinc/36/15/85/584361585.db2.gz AZFKVKKRTKEQFT-VQHVLOKHSA-N 0 3 246.738 0.702 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)COC2CC2)C1 ZINC000900912659 584365609 /nfs/dbraw/zinc/36/56/09/584365609.db2.gz NLNIVRFRMDSBGC-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)CCF)C1 ZINC000900912400 584365935 /nfs/dbraw/zinc/36/59/35/584365935.db2.gz MGLHXJJUSXHIOG-SECBINFHSA-N 0 3 202.273 0.804 20 0 BCADHN O=C(NCc1ccon1)C12CCN(CC1)C2 ZINC000900936691 584367527 /nfs/dbraw/zinc/36/75/27/584367527.db2.gz OOHLVERSEYYDTJ-UHFFFAOYSA-N 0 3 221.260 0.387 20 0 BCADHN CC1(C)CN(C(=O)CNc2ccccn2)CCN1 ZINC000900938270 584367537 /nfs/dbraw/zinc/36/75/37/584367537.db2.gz RNUNLYAJNBGFBR-UHFFFAOYSA-N 0 3 248.330 0.704 20 0 BCADHN O[C@H]1CCN(CCNc2ccc(Cl)nn2)C1 ZINC000858866562 588980113 /nfs/dbraw/zinc/98/01/13/588980113.db2.gz BLVOJFIMSPKETI-QMMMGPOBSA-N 0 3 242.710 0.609 20 0 BCADHN Cc1ocnc1CNC(=O)C12CCN(CC1)C2 ZINC000901247606 584408913 /nfs/dbraw/zinc/40/89/13/584408913.db2.gz SOEHQKDYOSFQNA-UHFFFAOYSA-N 0 3 235.287 0.695 20 0 BCADHN O=C(Nc1cnccc1CO)C12CCN(CC1)C2 ZINC000901255161 584416473 /nfs/dbraw/zinc/41/64/73/584416473.db2.gz JHIYYPVFLFGXKA-UHFFFAOYSA-N 0 3 247.298 0.608 20 0 BCADHN CC[C@@H](C(=O)N1C[C@H](C)N(C)C[C@H]1C)N(C)C ZINC000901284413 584421298 /nfs/dbraw/zinc/42/12/98/584421298.db2.gz CJIBLTLEKYNYSN-TUAOUCFPSA-N 0 3 241.379 0.878 20 0 BCADHN O=C(N[C@H]1CCCOCC1)C12CCN(CC1)C2 ZINC000901337310 584426935 /nfs/dbraw/zinc/42/69/35/584426935.db2.gz UUWMPZCDGGQLPL-NSHDSACASA-N 0 3 238.331 0.768 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)NCCOCCN(C)C ZINC000901341296 584428119 /nfs/dbraw/zinc/42/81/19/584428119.db2.gz NUNIYJFNTKRRAB-QWRGUYRKSA-N 0 3 246.351 0.088 20 0 BCADHN C/C(Cl)=C\C(=O)NCCOCCN(C)C ZINC000901341143 584428400 /nfs/dbraw/zinc/42/84/00/584428400.db2.gz LKURXFXBFCENEV-CMDGGOBGSA-N 0 3 234.727 0.823 20 0 BCADHN COC[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)[O-] ZINC000901482812 584450008 /nfs/dbraw/zinc/45/00/08/584450008.db2.gz YOOCEDBBSUKKKE-UWVGGRQHSA-N 0 3 244.335 0.548 20 0 BCADHN COC[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-] ZINC000901482812 584450009 /nfs/dbraw/zinc/45/00/09/584450009.db2.gz YOOCEDBBSUKKKE-UWVGGRQHSA-N 0 3 244.335 0.548 20 0 BCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)OCCF ZINC000858928744 588985512 /nfs/dbraw/zinc/98/55/12/588985512.db2.gz ZYKCSQAKOFZLJZ-NXEZZACHSA-N 0 3 246.282 0.545 20 0 BCADHN CCO[C@@H](CN[C@@H](CC)C(=O)OC)CN(C)C ZINC000901593331 584465617 /nfs/dbraw/zinc/46/56/17/584465617.db2.gz OQVOMPVBZWRFFC-QWRGUYRKSA-N 0 3 246.351 0.494 20 0 BCADHN O=C(OCCF)N1CCN2CCC[C@@H]2C1 ZINC000858969894 588987487 /nfs/dbraw/zinc/98/74/87/588987487.db2.gz UFYIQEHNGCYUBK-SECBINFHSA-N 0 3 216.256 0.873 20 0 BCADHN O=C(OCCF)N1CCN2CCC[C@H]2C1 ZINC000858969895 588987653 /nfs/dbraw/zinc/98/76/53/588987653.db2.gz UFYIQEHNGCYUBK-VIFPVBQESA-N 0 3 216.256 0.873 20 0 BCADHN CCCOC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000859003499 588989971 /nfs/dbraw/zinc/98/99/71/588989971.db2.gz QOLLGVUWBBDUDF-LLVKDONJSA-N 0 3 244.335 0.969 20 0 BCADHN O=C(NCCCN1CCC(O)CC1)OCCF ZINC000859002980 588990112 /nfs/dbraw/zinc/99/01/12/588990112.db2.gz KJOBQRDWEVMBGM-UHFFFAOYSA-N 0 3 248.298 0.529 20 0 BCADHN CNC(=O)CCNCc1ccccc1NC ZINC000902102004 584523274 /nfs/dbraw/zinc/52/32/74/584523274.db2.gz DMZZSWPHKHPNIN-UHFFFAOYSA-N 0 3 221.304 0.954 20 0 BCADHN CN(C)[C@@H]1CCCN(CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902149974 584530485 /nfs/dbraw/zinc/53/04/85/584530485.db2.gz OKJJNACABKVWLG-TUAOUCFPSA-N 0 3 237.347 0.448 20 0 BCADHN C[C@H](N[C@@H]1CNCCOC1)c1cncs1 ZINC000902457413 584610080 /nfs/dbraw/zinc/61/00/80/584610080.db2.gz RRBBBVNZLGJMNX-DTWKUNHWSA-N 0 3 227.333 0.782 20 0 BCADHN C[C@@H](C[C@@H]1COCCN1)NCc1cn(C)cn1 ZINC000902462972 584612148 /nfs/dbraw/zinc/61/21/48/584612148.db2.gz YGVFKBIAHPWDJW-WDEREUQCSA-N 0 3 238.335 0.277 20 0 BCADHN CNc1ccccc1CNC[C@](C)(O)CO ZINC000902539322 584627884 /nfs/dbraw/zinc/62/78/84/584627884.db2.gz KKSLJSXKKYFKFD-LBPRGKRZSA-N 0 3 224.304 0.561 20 0 BCADHN CCn1cnc(CNCCc2cncn2C)c1 ZINC000902621347 584644764 /nfs/dbraw/zinc/64/47/64/584644764.db2.gz GESMTFVYTADBPL-UHFFFAOYSA-N 0 3 233.319 0.969 20 0 BCADHN CNc1ccc(C)cc1CNC[C@@H](O)[C@H](C)O ZINC000902632214 584647309 /nfs/dbraw/zinc/64/73/09/584647309.db2.gz MFHKFSGQBZYSJJ-GXFFZTMASA-N 0 3 238.331 0.868 20 0 BCADHN CCNc1ccccc1CNC[C@H](O)[C@H](C)O ZINC000902633623 584647354 /nfs/dbraw/zinc/64/73/54/584647354.db2.gz WNYPGHLEMATJQW-GWCFXTLKSA-N 0 3 238.331 0.950 20 0 BCADHN Cc1cc(CNC[C@@H](O)[C@@H](C)O)cnc1F ZINC000902633111 584647579 /nfs/dbraw/zinc/64/75/79/584647579.db2.gz RDCXUAQXJGJTFD-PSASIEDQSA-N 0 3 228.267 0.360 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cc(O)cc(Cl)c1 ZINC000902632511 584647699 /nfs/dbraw/zinc/64/76/99/584647699.db2.gz NXQSWMHGZYJMNU-CPCISQLKSA-N 0 3 245.706 0.877 20 0 BCADHN Cc1cc(F)ncc1CNC[C@H](O)[C@@H](C)O ZINC000902633157 584647869 /nfs/dbraw/zinc/64/78/69/584647869.db2.gz SFGQRUNUFNKEGL-SCZZXKLOSA-N 0 3 228.267 0.360 20 0 BCADHN Nc1cnccc1CNCC[C@@H](O)C1CC1 ZINC000902704369 584658990 /nfs/dbraw/zinc/65/89/90/584658990.db2.gz WRPIBDWPNIFGMT-GFCCVEGCSA-N 0 3 221.304 0.914 20 0 BCADHN CCN1CCC(NC(=O)OC2COC2)CC1 ZINC000902787615 584672834 /nfs/dbraw/zinc/67/28/34/584672834.db2.gz ZPZOTOBXTBSLHK-UHFFFAOYSA-N 0 3 228.292 0.596 20 0 BCADHN O=C(NC[C@@H]1CCN(C2CC2)C1)OC1COC1 ZINC000902798198 584674713 /nfs/dbraw/zinc/67/47/13/584674713.db2.gz KTLDXLAWKBZYRE-VIFPVBQESA-N 0 3 240.303 0.596 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)OC1COC1 ZINC000902825469 584676334 /nfs/dbraw/zinc/67/63/34/584676334.db2.gz XTKVABGYNJMORZ-MRVPVSSYSA-N 0 3 214.265 0.206 20 0 BCADHN O=C(CCO)N1CC[C@@H](N2CCCCC2)C1 ZINC000902852435 584678716 /nfs/dbraw/zinc/67/87/16/584678716.db2.gz TYNKBTKTZDPZJH-LLVKDONJSA-N 0 3 226.320 0.456 20 0 BCADHN CN1CCC[C@H](CNC(=O)OC2COC2)C1 ZINC000902852733 584678910 /nfs/dbraw/zinc/67/89/10/584678910.db2.gz YYZGPBOTMCLAAF-SECBINFHSA-N 0 3 228.292 0.453 20 0 BCADHN C[C@@H](CNC(=O)OC1COC1)N(C)C1CC1 ZINC000902842309 584680512 /nfs/dbraw/zinc/68/05/12/584680512.db2.gz NKAHVIXIEGWQJC-QMMMGPOBSA-N 0 3 228.292 0.594 20 0 BCADHN C[C@H]1C[C@H](N(C)C(=O)OC2COC2)CCN1C ZINC000902874285 584684347 /nfs/dbraw/zinc/68/43/47/584684347.db2.gz DOPZEPVFNNFTHR-VHSXEESVSA-N 0 3 242.319 0.936 20 0 BCADHN C[C@@H](N[C@@H]1CCc2n[nH]cc2C1)c1cn(C)nn1 ZINC000902882093 584688452 /nfs/dbraw/zinc/68/84/52/584688452.db2.gz UIAGAOCZSVOXAD-PSASIEDQSA-N 0 3 246.318 0.746 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)OC2COC2)CN1C1CC1 ZINC000902896384 584691325 /nfs/dbraw/zinc/69/13/25/584691325.db2.gz DGUPLKKLMUVDDJ-DTWKUNHWSA-N 0 3 240.303 0.737 20 0 BCADHN CN1CC[C@@H](NC(=O)CCO)[C@@H]1c1ccccc1 ZINC000902910501 584695119 /nfs/dbraw/zinc/69/51/19/584695119.db2.gz AXDCTKICGHGZQS-OCCSQVGLSA-N 0 3 248.326 0.930 20 0 BCADHN C[C@H]1[C@H](NC(=O)Nc2ccncc2)CCN1C ZINC000902929285 584698603 /nfs/dbraw/zinc/69/86/03/584698603.db2.gz RYJUEYVSKARMHR-GXSJLCMTSA-N 0 3 234.303 0.718 20 0 BCADHN C[C@H]1CN(C(=O)CCO)CCN(C2CC2)C1 ZINC000902937711 584700740 /nfs/dbraw/zinc/70/07/40/584700740.db2.gz BAHRDYXVEYVJMD-SNVBAGLBSA-N 0 3 226.320 0.312 20 0 BCADHN Cn1cc(CN[C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)nn1 ZINC000902947468 584703371 /nfs/dbraw/zinc/70/33/71/584703371.db2.gz JDGJNIDYUDEQBY-KIJLLGNVSA-N 0 3 248.330 0.718 20 0 BCADHN CC[C@@H]1CN(C)CCCN1C(=O)OC1COC1 ZINC000902950146 584704115 /nfs/dbraw/zinc/70/41/15/584704115.db2.gz GYEHCBVDIFUROD-SNVBAGLBSA-N 0 3 242.319 0.938 20 0 BCADHN CN(CCN1CCCCC1)C(=O)OC1COC1 ZINC000902950098 584704268 /nfs/dbraw/zinc/70/42/68/584704268.db2.gz FZSJALVVVFUWAA-UHFFFAOYSA-N 0 3 242.319 0.940 20 0 BCADHN CN1CCN(C(=O)OC2COC2)CCC1(C)C ZINC000902961544 584706357 /nfs/dbraw/zinc/70/63/57/584706357.db2.gz ZTORQVCOFRRCSJ-UHFFFAOYSA-N 0 3 242.319 0.938 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)OC1COC1 ZINC000902963758 584707276 /nfs/dbraw/zinc/70/72/76/584707276.db2.gz JNUYKAGCLOXOSL-QWRGUYRKSA-N 0 3 240.303 0.690 20 0 BCADHN O=C1NCC[C@@H]1CCN1CCC[C@@H](F)C1 ZINC000902991926 584710247 /nfs/dbraw/zinc/71/02/47/584710247.db2.gz FLPGUXLLSWJYIA-NXEZZACHSA-N 0 3 214.284 0.947 20 0 BCADHN O=C1C[C@@H](CN2CCC[C@H](F)C2)CN1 ZINC000902993250 584711845 /nfs/dbraw/zinc/71/18/45/584711845.db2.gz RFLGDTCRVUIIBI-BDAKNGLRSA-N 0 3 200.257 0.556 20 0 BCADHN CC[C@@H]1CN(CC)CCN1CCCNC(C)=O ZINC000902975240 584713498 /nfs/dbraw/zinc/71/34/98/584713498.db2.gz WZHTXPPPICDVJV-CYBMUJFWSA-N 0 3 241.379 0.929 20 0 BCADHN O[C@@H](CN1CC[C@H](Nc2ncccn2)C1)C1CC1 ZINC000903023326 584720851 /nfs/dbraw/zinc/72/08/51/584720851.db2.gz OEMAKIPKQOCXAZ-RYUDHWBXSA-N 0 3 248.330 0.734 20 0 BCADHN COC[C@@H](C)N1CC[C@@H](Nc2ncccn2)C1 ZINC000903020549 584720953 /nfs/dbraw/zinc/72/09/53/584720953.db2.gz ZVAVYIVGFXWWIW-GHMZBOCLSA-N 0 3 236.319 0.998 20 0 BCADHN C[C@@H](CO)CN1CC[C@H](Nc2ncccn2)C1 ZINC000903021110 584721056 /nfs/dbraw/zinc/72/10/56/584721056.db2.gz NTDQHGCXTMYCSJ-MNOVXSKESA-N 0 3 236.319 0.591 20 0 BCADHN OCCCCN1CC[C@@H](Nc2ncccn2)C1 ZINC000903027914 584722150 /nfs/dbraw/zinc/72/21/50/584722150.db2.gz XVILRZCHOPWOJX-LLVKDONJSA-N 0 3 236.319 0.735 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CCO[C@@]12CCOC2 ZINC000903060269 584722920 /nfs/dbraw/zinc/72/29/20/584722920.db2.gz VAOQXXUPJMRURF-ZYHUDNBSSA-N 0 3 242.319 0.049 20 0 BCADHN CC(C)[C@@H](N[C@@H](C)CCO)c1nncn1C ZINC000903064073 584722955 /nfs/dbraw/zinc/72/29/55/584722955.db2.gz KNZUKIBSLJNRIL-VHSXEESVSA-N 0 3 226.324 0.873 20 0 BCADHN Cn1cc(CN[C@H]2CCO[C@]23CCOC3)cn1 ZINC000903076868 584724521 /nfs/dbraw/zinc/72/45/21/584724521.db2.gz VHRNOTLOIAQWTD-RYUDHWBXSA-N 0 3 237.303 0.458 20 0 BCADHN CO[C@@H]1CCC[C@@H]1N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000903125893 584729598 /nfs/dbraw/zinc/72/95/98/584729598.db2.gz PGULNKHHUVDRMO-ADEWGFFLSA-N 0 3 238.331 0.907 20 0 BCADHN CO[C@@H]1CCC[C@H]1N[C@H]1CC(=O)N(C2CC2)C1 ZINC000903125894 584729772 /nfs/dbraw/zinc/72/97/72/584729772.db2.gz PGULNKHHUVDRMO-MVWJERBFSA-N 0 3 238.331 0.907 20 0 BCADHN CCn1nncc1CN[C@@H]1CCC[C@@H]1OC ZINC000903207753 584736355 /nfs/dbraw/zinc/73/63/55/584736355.db2.gz ZYEGLSFQPHSGCL-MNOVXSKESA-N 0 3 224.308 0.955 20 0 BCADHN CCn1nncc1CN[C@H]1CCC[C@H]1OC ZINC000903207755 584736419 /nfs/dbraw/zinc/73/64/19/584736419.db2.gz ZYEGLSFQPHSGCL-WDEREUQCSA-N 0 3 224.308 0.955 20 0 BCADHN COc1nn(C)cc1CNC1CCC(O)CC1 ZINC000903337972 584751632 /nfs/dbraw/zinc/75/16/32/584751632.db2.gz NGNPSPPYCROJEI-UHFFFAOYSA-N 0 3 239.319 0.822 20 0 BCADHN C[C@@H](N[C@@H](C)C(C)(C)O)c1cnnn1C ZINC000903391076 584756224 /nfs/dbraw/zinc/75/62/24/584756224.db2.gz QDOMHVVRMYQBNU-SFYZADRCSA-N 0 3 212.297 0.625 20 0 BCADHN CCn1cc(CN2CCNC[C@@H]2C(F)F)nn1 ZINC000903748938 584795021 /nfs/dbraw/zinc/79/50/21/584795021.db2.gz DNEWHEQJCASULH-SECBINFHSA-N 0 3 245.277 0.337 20 0 BCADHN C[C@@]1(C2CC2)COCCN1C[C@@H]1CNCCO1 ZINC000903881150 584817817 /nfs/dbraw/zinc/81/78/17/584817817.db2.gz FKSHSFIVBGZAKR-STQMWFEESA-N 0 3 240.347 0.476 20 0 BCADHN CN1CC[C@H](Cc2nc(-c3ccnn3C)no2)C1 ZINC000904108839 584841750 /nfs/dbraw/zinc/84/17/50/584841750.db2.gz SYTXUIAIQDHUKF-SECBINFHSA-N 0 3 247.302 0.964 20 0 BCADHN Nc1ccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)nn1 ZINC000904342337 584867584 /nfs/dbraw/zinc/86/75/84/584867584.db2.gz DLNIPMSBDNCXDN-GHMZBOCLSA-N 0 3 248.330 0.917 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(N)nn1 ZINC000904346753 584868503 /nfs/dbraw/zinc/86/85/03/584868503.db2.gz WOTSRRONFKAFKC-VHSXEESVSA-N 0 3 235.335 0.583 20 0 BCADHN Nc1ccc(CN2CCNC[C@H]2C(F)F)nn1 ZINC000904350500 584869169 /nfs/dbraw/zinc/86/91/69/584869169.db2.gz NHLJLMRPDGRTQR-QMMMGPOBSA-N 0 3 243.261 0.098 20 0 BCADHN C[C@]1(CNCc2ccc(N)nn2)CCCO1 ZINC000904367083 584872770 /nfs/dbraw/zinc/87/27/70/584872770.db2.gz VONHWWAHMAZPNR-LLVKDONJSA-N 0 3 222.292 0.718 20 0 BCADHN C[C@@H]1CC[C@@H](CNCc2ccc(N)nn2)O1 ZINC000904370658 584873111 /nfs/dbraw/zinc/87/31/11/584873111.db2.gz CVAKKAHFAIZQPD-SCZZXKLOSA-N 0 3 222.292 0.716 20 0 BCADHN c1c(CN[C@@H]2CNOC2)sc2c1CNCC2 ZINC000904423880 584880164 /nfs/dbraw/zinc/88/01/64/584880164.db2.gz KIPRTGKCVYQDCB-SECBINFHSA-N 0 3 239.344 0.387 20 0 BCADHN CO[N-]C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000788274470 584884738 /nfs/dbraw/zinc/88/47/38/584884738.db2.gz NKBSYRNOPFLRSU-VIFPVBQESA-N 0 3 200.282 0.929 20 0 BCADHN CO[N-]C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000788274470 584884741 /nfs/dbraw/zinc/88/47/41/584884741.db2.gz NKBSYRNOPFLRSU-VIFPVBQESA-N 0 3 200.282 0.929 20 0 BCADHN CCN(CCO)Cc1cnc2c(cnn2C)c1 ZINC000876526948 584885814 /nfs/dbraw/zinc/88/58/14/584885814.db2.gz LQOGYURPHJSSKS-UHFFFAOYSA-N 0 3 234.303 0.783 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCN(C)CC(F)F ZINC000877118283 584890688 /nfs/dbraw/zinc/89/06/88/584890688.db2.gz UTNIZJDNSITOQL-MRVPVSSYSA-N 0 3 249.305 0.440 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@@]1(F)CCNC1 ZINC000827683447 584900145 /nfs/dbraw/zinc/90/01/45/584900145.db2.gz HTXXEGAAMNPLQJ-BXKDBHETSA-N 0 3 241.310 0.041 20 0 BCADHN Cc1nonc1CNC(=O)[C@@H](N)C1CCC1 ZINC000829865511 584907946 /nfs/dbraw/zinc/90/79/46/584907946.db2.gz MRJMZNRSMHFQED-VIFPVBQESA-N 0 3 224.264 0.122 20 0 BCADHN C[C@H]1OCC[C@@H]1NC[C@H](O)C(F)(F)F ZINC000133995208 584910141 /nfs/dbraw/zinc/91/01/41/584910141.db2.gz UUONINLBPDQSGY-VQVTYTSYSA-N 0 3 213.199 0.677 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)N)[C@H](O)c1cccc(F)c1 ZINC000832120374 584910962 /nfs/dbraw/zinc/91/09/62/584910962.db2.gz CATMBVCPIONZBQ-RNSXUZJQSA-N 0 3 240.278 0.711 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)[C@@H](O)c1cccc(F)c1 ZINC000832120377 584911012 /nfs/dbraw/zinc/91/10/12/584911012.db2.gz CATMBVCPIONZBQ-VHSKPIJISA-N 0 3 240.278 0.711 20 0 BCADHN CC(C)[C@H](C)NC(=O)Cn1cc([C@@H](C)N)nn1 ZINC000124306340 584912663 /nfs/dbraw/zinc/91/26/63/584912663.db2.gz UQJXCBRTOAEHSK-BDAKNGLRSA-N 0 3 239.323 0.459 20 0 BCADHN CCNC(=S)N[C@@H]1CCN(CCOC)C1 ZINC000730734622 584914756 /nfs/dbraw/zinc/91/47/56/584914756.db2.gz WRENVSIJTDVCCW-SECBINFHSA-N 0 3 231.365 0.191 20 0 BCADHN O=C(NCCN1CCCC1)C1=COCCC1 ZINC000730841822 584917775 /nfs/dbraw/zinc/91/77/75/584917775.db2.gz PKNMZSQYEQFLEZ-UHFFFAOYSA-N 0 3 224.304 0.893 20 0 BCADHN CC(C)N1CC[C@@H](N[C@@H](CCO)C2CC2)C1=O ZINC000763061054 584919547 /nfs/dbraw/zinc/91/95/47/584919547.db2.gz VUWPWFQOSYCZHE-NWDGAFQWSA-N 0 3 240.347 0.746 20 0 BCADHN CCNC(=S)N[C@H]1CCN(CC2CC2)C1 ZINC000730958215 584920605 /nfs/dbraw/zinc/92/06/05/584920605.db2.gz VIVDNPRILCBMDB-JTQLQIEISA-N 0 3 227.377 0.955 20 0 BCADHN C[C@@H](CNC(=O)C(=O)OC(C)(C)C)N(C)C ZINC000764860394 584930960 /nfs/dbraw/zinc/93/09/60/584930960.db2.gz AOKKIFIKXYSMQA-QMMMGPOBSA-N 0 3 230.308 0.394 20 0 BCADHN CCCCN[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000732229177 584934659 /nfs/dbraw/zinc/93/46/59/584934659.db2.gz WJTJGJHCJZRLGW-LLVKDONJSA-N 0 3 236.319 0.915 20 0 BCADHN Cc1ccc(C(=O)N2CCN(C)C[C@@H]2CN)nc1 ZINC000884043018 584940291 /nfs/dbraw/zinc/94/02/91/584940291.db2.gz MSFDIJDMEQNANJ-NSHDSACASA-N 0 3 248.330 0.105 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=S)NCCN(C)C ZINC000732725700 584940511 /nfs/dbraw/zinc/94/05/11/584940511.db2.gz ULFJNICQUAZONO-NXEZZACHSA-N 0 3 247.408 0.419 20 0 BCADHN CCC[C@@H](O)CNC(=S)NCCN(C)C ZINC000732725376 584940587 /nfs/dbraw/zinc/94/05/87/584940587.db2.gz ZSYSONZEZPPYDH-SECBINFHSA-N 0 3 233.381 0.173 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)N1C[C@@H]2C[C@@H]2C1 ZINC000888284672 584940818 /nfs/dbraw/zinc/94/08/18/584940818.db2.gz HRRZQKQTXJCCNO-OUAUKWLOSA-N 0 3 235.331 0.884 20 0 BCADHN CCc1cc(CNC(=O)[C@H]2CCCN2C)n[nH]1 ZINC000732836735 584941491 /nfs/dbraw/zinc/94/14/91/584941491.db2.gz YALSRWCTLXYWBC-LLVKDONJSA-N 0 3 236.319 0.683 20 0 BCADHN CN(C)CCNC(=S)NCC1(C)COC1 ZINC000732931114 584942027 /nfs/dbraw/zinc/94/20/27/584942027.db2.gz WRHSWCGYSWBHPE-UHFFFAOYSA-N 0 3 231.365 0.049 20 0 BCADHN CCN(CC(=O)NC)CC1CCOCC1 ZINC000733030010 584942517 /nfs/dbraw/zinc/94/25/17/584942517.db2.gz PTKCMKAZVUPSFV-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN COc1ncc(C(=O)NC[C@@H](C)N(C)C)cn1 ZINC000733950567 584955286 /nfs/dbraw/zinc/95/52/86/584955286.db2.gz SIUOFUPQPVHKRK-MRVPVSSYSA-N 0 3 238.291 0.165 20 0 BCADHN C[C@H](O)CCNC(=S)NC1CCN(C)CC1 ZINC000734097963 584956978 /nfs/dbraw/zinc/95/69/78/584956978.db2.gz FPDHDIPJXOULQO-VIFPVBQESA-N 0 3 245.392 0.316 20 0 BCADHN CCN1CCCN(C(=O)C2=COCC2)CC1 ZINC000734128728 584958821 /nfs/dbraw/zinc/95/88/21/584958821.db2.gz POUXDCHMMMSOKJ-UHFFFAOYSA-N 0 3 224.304 0.845 20 0 BCADHN CN1CCC[C@H]1C(=O)NC(C)(C)c1c[nH]nn1 ZINC000734756753 584967673 /nfs/dbraw/zinc/96/76/73/584967673.db2.gz HIAKZPBAOYHMIB-QMMMGPOBSA-N 0 3 237.307 0.250 20 0 BCADHN COCCN(CCN(C)C)C(=O)CC1COC1 ZINC000769712584 584969174 /nfs/dbraw/zinc/96/91/74/584969174.db2.gz LNBOIQCXRALGOZ-UHFFFAOYSA-N 0 3 244.335 0.060 20 0 BCADHN CN(CCNC(=O)[C@@H](O)C(C)(C)C)C1CC1 ZINC000735854222 584982723 /nfs/dbraw/zinc/98/27/23/584982723.db2.gz UMYVVLRDMWAROK-SNVBAGLBSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H]1CCCCN1CCS(N)(=O)=O ZINC000735883356 584983535 /nfs/dbraw/zinc/98/35/35/584983535.db2.gz HOOUKTRIPBDTKF-VIFPVBQESA-N 0 3 220.338 0.539 20 0 BCADHN CCN1CCC(NC(=O)c2nccn2C)CC1 ZINC000735925757 584984424 /nfs/dbraw/zinc/98/44/24/584984424.db2.gz QCXLCFYINXJTHV-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN Cc1nonc1CNC(=O)CN(C)C(C)C ZINC000736144423 584990570 /nfs/dbraw/zinc/99/05/70/584990570.db2.gz INEDHRQIVNQIKV-UHFFFAOYSA-N 0 3 226.280 0.334 20 0 BCADHN CN1CCC(ONC(=O)c2ccccn2)CC1 ZINC000773541024 585023104 /nfs/dbraw/zinc/02/31/04/585023104.db2.gz KKFYVLWTLQSUTL-UHFFFAOYSA-N 0 3 235.287 0.837 20 0 BCADHN CC(=O)N1CCN(C[C@@H]2C[C@]23CCOC3)CC1 ZINC000885944992 585031181 /nfs/dbraw/zinc/03/11/81/585031181.db2.gz XJBIGAWOSKSQLJ-STQMWFEESA-N 0 3 238.331 0.577 20 0 BCADHN C[C@@H](CCO)NCc1n[nH]c(C(C)(C)C)n1 ZINC000840789372 585032920 /nfs/dbraw/zinc/03/29/20/585032920.db2.gz CZQIWYJZNITKLD-QMMMGPOBSA-N 0 3 226.324 0.963 20 0 BCADHN C[C@@H](CCO)[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000840789372 585032921 /nfs/dbraw/zinc/03/29/21/585032921.db2.gz CZQIWYJZNITKLD-QMMMGPOBSA-N 0 3 226.324 0.963 20 0 BCADHN CN(C[C@H]1C[C@@]12CCOC2)[C@H]1CCN(C)C1=O ZINC000886017365 585035604 /nfs/dbraw/zinc/03/56/04/585035604.db2.gz YVGQAMWYAPPZOC-NTZNESFSSA-N 0 3 238.331 0.576 20 0 BCADHN CO[C@H]1CC[C@H]1N(C)C(=O)C1CCN(C)CC1 ZINC000889319574 585037391 /nfs/dbraw/zinc/03/73/91/585037391.db2.gz YZQOKZUTQKVRCN-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN C/C=C\C(=O)NCCCN1CCC(O)CC1 ZINC000737858567 585038961 /nfs/dbraw/zinc/03/89/61/585038961.db2.gz XBVZLWOOBYGRCN-RQOWECAXSA-N 0 3 226.320 0.526 20 0 BCADHN C[C@@H]1CC(=O)N(CN2CCC[C@H](N(C)C)C2)C1 ZINC000738142286 585041295 /nfs/dbraw/zinc/04/12/95/585041295.db2.gz BWGWNAQINGOTGO-NEPJUHHUSA-N 0 3 239.363 0.838 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NOCC1CC1 ZINC000838607193 585061671 /nfs/dbraw/zinc/06/16/71/585061671.db2.gz SFCFCCWEVWRGDB-SNVBAGLBSA-N 0 3 227.308 0.721 20 0 BCADHN COC[C@@H]1CCN(C(=S)NCCN(C)C)C1 ZINC000739437302 585064919 /nfs/dbraw/zinc/06/49/19/585064919.db2.gz KWNFELNJJDKGJF-SNVBAGLBSA-N 0 3 245.392 0.391 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@@H](O)C1CC1 ZINC000838789995 585070311 /nfs/dbraw/zinc/07/03/11/585070311.db2.gz VYPJURHRZVHJBT-SNVBAGLBSA-N 0 3 214.309 0.201 20 0 BCADHN C[C@@H]1CCN(C[C@H](O)C2CC2)[C@@H](C(N)=O)C1 ZINC000838942013 585081959 /nfs/dbraw/zinc/08/19/59/585081959.db2.gz SFNANXFQZPBPJW-IEBDPFPHSA-N 0 3 226.320 0.343 20 0 BCADHN CCn1ncc(CN[C@@H]2CN(C3CC3)C[C@H]2C)n1 ZINC000838981407 585084031 /nfs/dbraw/zinc/08/40/31/585084031.db2.gz PWNCEHSKPWWIGB-ZWNOBZJWSA-N 0 3 249.362 0.870 20 0 BCADHN COCC1(CN2CCCN(C=O)CC2)CCC1 ZINC000839021724 585087808 /nfs/dbraw/zinc/08/78/08/585087808.db2.gz MJGSIIWVVSBCOM-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CCN(C)C(=O)[C@@H](NC[C@H](O)C1CC1)C(C)C ZINC000839026647 585088059 /nfs/dbraw/zinc/08/80/59/585088059.db2.gz VLXPGMVLDFEUFU-RYUDHWBXSA-N 0 3 242.363 0.850 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@H](O)C1CC1 ZINC000839030443 585088549 /nfs/dbraw/zinc/08/85/49/585088549.db2.gz WZGCWHPREZRNOY-OUAUKWLOSA-N 0 3 215.293 0.151 20 0 BCADHN CCCCOC(=O)CCN1C[C@@H](O)[C@H](CO)C1 ZINC000839170658 585096431 /nfs/dbraw/zinc/09/64/31/585096431.db2.gz QXLFMMQINIVJDX-WDEREUQCSA-N 0 3 245.319 0.005 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@H]1CCC=CO1 ZINC000839196636 585098816 /nfs/dbraw/zinc/09/88/16/585098816.db2.gz WOKYCTMENUTOPR-OUAUKWLOSA-N 0 3 213.277 0.683 20 0 BCADHN CC[C@H](CO)N[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000839387933 585102081 /nfs/dbraw/zinc/10/20/81/585102081.db2.gz DVKPOCITXFXFMX-DTWKUNHWSA-N 0 3 241.291 0.671 20 0 BCADHN CC[C@H](CO)N[C@H](C)C(=O)Nc1cc(C)no1 ZINC000839387937 585102093 /nfs/dbraw/zinc/10/20/93/585102093.db2.gz DVKPOCITXFXFMX-RKDXNWHRSA-N 0 3 241.291 0.671 20 0 BCADHN CN(CCC1(O)CCC1)[C@H]1CCCCNC1=O ZINC000839482083 585105004 /nfs/dbraw/zinc/10/50/04/585105004.db2.gz WBSLQDFUOOAYON-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN CN(CCNC(=O)[C@@H]1CSC(=O)N1)C1CC1 ZINC000740741976 585106086 /nfs/dbraw/zinc/10/60/86/585106086.db2.gz BFRKAZBJVJROFL-QMMMGPOBSA-N 0 3 243.332 0.022 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2ncccn2)C1 ZINC000740743423 585106256 /nfs/dbraw/zinc/10/62/56/585106256.db2.gz NIYHGCKYPVKPIS-JTQLQIEISA-N 0 3 234.303 0.643 20 0 BCADHN CC[S@](=O)CCNC(=O)NCCCN(C)C ZINC000741073682 585110109 /nfs/dbraw/zinc/11/01/09/585110109.db2.gz OFNWRKROWUPSSO-INIZCTEOSA-N 0 3 249.380 0.006 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cnsn2)CCN1C ZINC000741724015 585116920 /nfs/dbraw/zinc/11/69/20/585116920.db2.gz LUHUICRAIFDGPD-SFYZADRCSA-N 0 3 240.332 0.751 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C2=COCCO2)CCN1C ZINC000741721652 585117394 /nfs/dbraw/zinc/11/73/94/585117394.db2.gz LOZBNXMLBRGPQW-UWVGGRQHSA-N 0 3 240.303 0.474 20 0 BCADHN C[C@@H]1[C@@H](C)CCCN1CCS(N)(=O)=O ZINC000741790286 585118965 /nfs/dbraw/zinc/11/89/65/585118965.db2.gz GAMJFCLMSYNNGS-DTWKUNHWSA-N 0 3 220.338 0.395 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)[C@H]1CCOC1 ZINC000742239635 585123656 /nfs/dbraw/zinc/12/36/56/585123656.db2.gz ONFUEWRAYUYBDX-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)[C@@H]1CCOC1 ZINC000742239636 585123788 /nfs/dbraw/zinc/12/37/88/585123788.db2.gz ONFUEWRAYUYBDX-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)[C@@H]1COCCO1 ZINC000742239672 585123946 /nfs/dbraw/zinc/12/39/46/585123946.db2.gz GFRDXVHNBZWVQX-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN COCC(=O)NCCN1CCC[C@@H]1C ZINC000742242412 585124095 /nfs/dbraw/zinc/12/40/95/585124095.db2.gz ULNPRKAOYDGCGD-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CCOCCCNC(=O)[C@@H](C)N1C[C@@H]2C[C@@H]2C1 ZINC000886329524 585128630 /nfs/dbraw/zinc/12/86/30/585128630.db2.gz FRAVWNKUPPQEEJ-UTUOFQBUSA-N 0 3 240.347 0.869 20 0 BCADHN CN1CC[C@@H](CNC(=O)c2ncccn2)C1 ZINC000743315790 585134992 /nfs/dbraw/zinc/13/49/92/585134992.db2.gz BXWLSHNVYUCRFF-VIFPVBQESA-N 0 3 220.276 0.158 20 0 BCADHN CCONC(=O)NCCN(C)CCCOC ZINC000743507148 585137679 /nfs/dbraw/zinc/13/76/79/585137679.db2.gz DYEUEIOAHVNLOO-UHFFFAOYSA-N 0 3 233.312 0.205 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1cnsn1 ZINC000744344556 585148898 /nfs/dbraw/zinc/14/88/98/585148898.db2.gz CPZFDPXMJJWPHL-QMMMGPOBSA-N 0 3 240.332 0.752 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1cnsn1 ZINC000744344555 585148961 /nfs/dbraw/zinc/14/89/61/585148961.db2.gz CPZFDPXMJJWPHL-MRVPVSSYSA-N 0 3 240.332 0.752 20 0 BCADHN CC(=O)N[C@H](C)C(=O)NCCN1CCC[C@H]1C ZINC000744347829 585149181 /nfs/dbraw/zinc/14/91/81/585149181.db2.gz DAECYZURDPNWJL-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CN(C)CCNC(=S)N1C[C@H]2CC[C@@H](C1)O2 ZINC000745174227 585157367 /nfs/dbraw/zinc/15/73/67/585157367.db2.gz RQBWZRWIWCYCAY-AOOOYVTPSA-N 0 3 243.376 0.286 20 0 BCADHN Cc1nonc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000746333809 585167645 /nfs/dbraw/zinc/16/76/45/585167645.db2.gz PMALHFXDEJSTML-MRVPVSSYSA-N 0 3 238.291 0.450 20 0 BCADHN CCN(CC(=O)NC)CC1(O)CCCC1 ZINC000746449921 585168055 /nfs/dbraw/zinc/16/80/55/585168055.db2.gz LKTVGRHZUATPQK-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN CON(C)C(=O)CN1CCCCCC1 ZINC000746496608 585168707 /nfs/dbraw/zinc/16/87/07/585168707.db2.gz XADUKSCUVUHKEX-UHFFFAOYSA-N 0 3 200.282 0.882 20 0 BCADHN CON(C)C(=O)CN1CCCC[C@@H]1C ZINC000746496621 585168804 /nfs/dbraw/zinc/16/88/04/585168804.db2.gz XTPUHPKORGEXBR-VIFPVBQESA-N 0 3 200.282 0.881 20 0 BCADHN O=C1CN(CC2(O)CCCC2)CCCN1 ZINC000746487421 585168901 /nfs/dbraw/zinc/16/89/01/585168901.db2.gz IVZCZAWFJFFRFA-UHFFFAOYSA-N 0 3 212.293 0.113 20 0 BCADHN CON(C)C(=O)CN1CC[C@H](N2CCCC2)C1 ZINC000746500508 585169490 /nfs/dbraw/zinc/16/94/90/585169490.db2.gz CPHZPXBOJYXTCU-NSHDSACASA-N 0 3 241.335 0.176 20 0 BCADHN C[N@@H+]1CC[C@@H](C(=O)[N-]OCc2cccnc2)C1 ZINC000747167191 585176242 /nfs/dbraw/zinc/17/62/42/585176242.db2.gz JLHKVKBUMLXIHU-LLVKDONJSA-N 0 3 235.287 0.581 20 0 BCADHN C[N@H+]1CC[C@@H](C(=O)[N-]OCc2cccnc2)C1 ZINC000747167191 585176243 /nfs/dbraw/zinc/17/62/43/585176243.db2.gz 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BCADHN NS(=O)(=O)CCN1C[C@@H]2CCCC[C@@H]2C1 ZINC000750063760 585209830 /nfs/dbraw/zinc/20/98/30/585209830.db2.gz YSRCKHKYTIMTLK-AOOOYVTPSA-N 0 3 232.349 0.397 20 0 BCADHN Cc1nn[nH]c1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000789979250 585217980 /nfs/dbraw/zinc/21/79/80/585217980.db2.gz IEQXNJSNPNWWTQ-XVKPBYJWSA-N 0 3 249.318 0.326 20 0 BCADHN CCN1CCN(CCC(=O)N(C)OC)CC1 ZINC000750659325 585218045 /nfs/dbraw/zinc/21/80/45/585218045.db2.gz NSWNTNFHNASKGE-UHFFFAOYSA-N 0 3 229.324 0.034 20 0 BCADHN CC(C)=C(C)C(=O)NCC1(O)CCN(C)CC1 ZINC000751408230 585229995 /nfs/dbraw/zinc/22/99/95/585229995.db2.gz SUHRJSRAQZVPBY-UHFFFAOYSA-N 0 3 240.347 0.916 20 0 BCADHN Cn1cc(CN2CCC(c3nc[nH]n3)CC2)cn1 ZINC000751499498 585231389 /nfs/dbraw/zinc/23/13/89/585231389.db2.gz CZGLUDMZDRETIB-UHFFFAOYSA-N 0 3 246.318 0.918 20 0 BCADHN COCCN1CC[C@@H](NC(=O)/C=C/SC)C1 ZINC000751576596 585233295 /nfs/dbraw/zinc/23/32/95/585233295.db2.gz BHRNTRCCCJLHHL-VMKBVTSJSA-N 0 3 244.360 0.700 20 0 BCADHN CN(C)C1(C(=O)N[C@H]2CCOC2)CCC1 ZINC000752417589 585245740 /nfs/dbraw/zinc/24/57/40/585245740.db2.gz AXRRSBVXICXIJI-VIFPVBQESA-N 0 3 212.293 0.376 20 0 BCADHN CS/C=C\C(=O)NC[C@@](C)(O)CN(C)C ZINC000752481096 585246610 /nfs/dbraw/zinc/24/66/10/585246610.db2.gz KKNGHVMFXNJDEW-WWQCOOJYSA-N 0 3 232.349 0.292 20 0 BCADHN CS/C=C/C(=O)NC[C@@](C)(O)CN(C)C ZINC000752481087 585246668 /nfs/dbraw/zinc/24/66/68/585246668.db2.gz KKNGHVMFXNJDEW-BRAIEQGRSA-N 0 3 232.349 0.292 20 0 BCADHN CCONC(=O)NC[C@@H]1CCCN1C ZINC000753802538 585269334 /nfs/dbraw/zinc/26/93/34/585269334.db2.gz ORSRUUIUIGRHDE-QMMMGPOBSA-N 0 3 201.270 0.331 20 0 BCADHN CO[C@@H]1CN(CC[C@@H]2CCOC2=O)C[C@@H]1OC ZINC000753806117 585269673 /nfs/dbraw/zinc/26/96/73/585269673.db2.gz JQMZHQRNPOUJCB-MXWKQRLJSA-N 0 3 243.303 0.285 20 0 BCADHN CCN(CCO)Cc1ccnc(N(C)C)c1 ZINC000754028353 585275727 /nfs/dbraw/zinc/27/57/27/585275727.db2.gz VSGREKHRAJUREY-UHFFFAOYSA-N 0 3 223.320 0.962 20 0 BCADHN C[C@H](CO)N(C)Cc1ccnc(N(C)C)c1 ZINC000754070733 585277430 /nfs/dbraw/zinc/27/74/30/585277430.db2.gz LNCNWHOHFUKDKL-SNVBAGLBSA-N 0 3 223.320 0.960 20 0 BCADHN C[C@@H]1COCCN(CCCN2CCCC2=O)C1 ZINC000754381328 585283804 /nfs/dbraw/zinc/28/38/04/585283804.db2.gz FDBIWRWAXWHCOK-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN C[C@@H]1COCCN(CCN2CCOC2=O)C1 ZINC000754385406 585284026 /nfs/dbraw/zinc/28/40/26/585284026.db2.gz LEHDJKXQMAEBAK-JTQLQIEISA-N 0 3 228.292 0.407 20 0 BCADHN CC[C@@H](C(=O)N1CCN(C)[C@H](C)C1)N(C)C ZINC000754466480 585285015 /nfs/dbraw/zinc/28/50/15/585285015.db2.gz ADSDRVOHODXCES-MNOVXSKESA-N 0 3 227.352 0.489 20 0 BCADHN COC(=O)C[C@H](NCC(=O)NC1CC1)C1CC1 ZINC000754524488 585285408 /nfs/dbraw/zinc/28/54/08/585285408.db2.gz YPTKTWPSYYHROX-JTQLQIEISA-N 0 3 240.303 0.196 20 0 BCADHN COCCN1CC[C@@H](NC(=O)C=C2CCC2)C1 ZINC000755345123 585297871 /nfs/dbraw/zinc/29/78/71/585297871.db2.gz NMRKUCWNPISAQX-GFCCVEGCSA-N 0 3 238.331 0.934 20 0 BCADHN CCC1(C(=O)NCCN2CC[C@H](C)C2)COC1 ZINC000755429103 585299610 /nfs/dbraw/zinc/29/96/10/585299610.db2.gz JTZXKGOPKGRSBY-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN CCC1(CC)CCN(CCS(N)(=O)=O)C1 ZINC000756024959 585313292 /nfs/dbraw/zinc/31/32/92/585313292.db2.gz ZGQXGLHRGCRMRO-UHFFFAOYSA-N 0 3 234.365 0.787 20 0 BCADHN CCN(CC)CC(=O)NC1COC(C)(C)OC1 ZINC000756707354 585322344 /nfs/dbraw/zinc/32/23/44/585322344.db2.gz VJVLOLNSPDEZLW-UHFFFAOYSA-N 0 3 244.335 0.596 20 0 BCADHN O=C1OCCN1CCN1CC[C@@]2(CCOC2)C1 ZINC000756900662 585324912 /nfs/dbraw/zinc/32/49/12/585324912.db2.gz VYIFXWKRVQSUSE-GFCCVEGCSA-N 0 3 240.303 0.551 20 0 BCADHN CN1CCC(C(=O)N[C@@H](CCO)C2CC2)CC1 ZINC000757087852 585327922 /nfs/dbraw/zinc/32/79/22/585327922.db2.gz DTIXCUCDGIGUOR-LBPRGKRZSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H](N[C@@H](CO)C1CC1)C(=O)N1CCCCC1 ZINC000839555566 585329816 /nfs/dbraw/zinc/32/98/16/585329816.db2.gz KBNKDCVBKYYSBZ-PWSUYJOCSA-N 0 3 240.347 0.748 20 0 BCADHN COC(=O)CCNC(C)(C)C(=O)N1CCCC1 ZINC000839590150 585331145 /nfs/dbraw/zinc/33/11/45/585331145.db2.gz SDHPYARGJWTPOA-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN CCO[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC000839617267 585332404 /nfs/dbraw/zinc/33/24/04/585332404.db2.gz ZZIVNKDQGXQBJE-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN Cc1ccc(C(=O)NCCN2CCC[C@@H]2C)nn1 ZINC000839728483 585338968 /nfs/dbraw/zinc/33/89/68/585338968.db2.gz NCXQCXGJHHUGAM-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CC)C(OC)OC ZINC000839741074 585339600 /nfs/dbraw/zinc/33/96/00/585339600.db2.gz XQRVSHVEGAFWRU-SNVBAGLBSA-N 0 3 246.351 0.842 20 0 BCADHN CNC(=S)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000757545615 585341212 /nfs/dbraw/zinc/34/12/12/585341212.db2.gz VIRSDOSKWRYILD-VXNVDRBHSA-N 0 3 213.350 0.563 20 0 BCADHN CCCCCCN1CC[C@H](S(N)(=O)=O)C1 ZINC000757637345 585343391 /nfs/dbraw/zinc/34/33/91/585343391.db2.gz BVMXCCQZFYSJAV-JTQLQIEISA-N 0 3 234.365 0.930 20 0 BCADHN CN1CCC[C@H](N2CCN(CCF)CC2)C1 ZINC000759341725 585368923 /nfs/dbraw/zinc/36/89/23/585368923.db2.gz KTHQFWMCXRMOME-LBPRGKRZSA-N 0 3 229.343 0.668 20 0 BCADHN COCCOC[C@@H]1CCN(CCF)C1 ZINC000759347585 585370458 /nfs/dbraw/zinc/37/04/58/585370458.db2.gz QWKNOBRGHZJTML-SNVBAGLBSA-N 0 3 205.273 0.941 20 0 BCADHN C[C@@H]1CC(O)C[C@@H](C)N1CCN1CCOC1=O ZINC000759485341 585373862 /nfs/dbraw/zinc/37/38/62/585373862.db2.gz ZKBUHUPRTZLWMY-NXEZZACHSA-N 0 3 242.319 0.672 20 0 BCADHN CN1CCC(C(=O)N[C@@](C)(CO)C2CC2)CC1 ZINC000759557753 585375979 /nfs/dbraw/zinc/37/59/79/585375979.db2.gz TYNDLHHQKUALNW-ZDUSSCGKSA-N 0 3 240.347 0.605 20 0 BCADHN CC(C(=O)N[C@H](C)c1ccc[nH]1)S(C)(=O)=O ZINC000760731980 585396392 /nfs/dbraw/zinc/39/63/92/585396392.db2.gz QCPLZKVEQSZENM-SFYZADRCSA-N 0 3 244.316 0.625 20 0 BCADHN OCCN(CCN1CCCC1)Cc1cccnc1 ZINC000760848261 585399565 /nfs/dbraw/zinc/39/95/65/585399565.db2.gz VKRVQJVNTOYTCU-UHFFFAOYSA-N 0 3 249.358 0.972 20 0 BCADHN CCN(CCC(N)=O)Cc1cccc(C(N)=O)c1 ZINC000760959364 585402757 /nfs/dbraw/zinc/40/27/57/585402757.db2.gz XKQHHHVQDRAUAL-UHFFFAOYSA-N 0 3 249.314 0.483 20 0 BCADHN COc1ccnc(NC(=O)[C@H]2CCN(C)C2)c1 ZINC000761015755 585403745 /nfs/dbraw/zinc/40/37/45/585403745.db2.gz LUXFAHYOOQTSRF-VIFPVBQESA-N 0 3 235.287 0.980 20 0 BCADHN C[C@H]1CN(CCN2CCOC2=O)CCN1C ZINC000761066307 585404987 /nfs/dbraw/zinc/40/49/87/585404987.db2.gz BONNTHMCPFIWIR-JTQLQIEISA-N 0 3 227.308 0.075 20 0 BCADHN C[C@@H]1CN(CCCN2CCOCC2)CCN1C ZINC000761073857 585405483 /nfs/dbraw/zinc/40/54/83/585405483.db2.gz HTZVQYXLLRGQHU-CYBMUJFWSA-N 0 3 241.379 0.345 20 0 BCADHN C[C@@H]1CN(CCc2cnn(C)c2)CCN1C ZINC000761076003 585406111 /nfs/dbraw/zinc/40/61/11/585406111.db2.gz GIVHVCKHYKQXDN-LLVKDONJSA-N 0 3 222.336 0.599 20 0 BCADHN C[C@H]1CN(CCc2cnn(C)c2)CCN1C ZINC000761076004 585406364 /nfs/dbraw/zinc/40/63/64/585406364.db2.gz GIVHVCKHYKQXDN-NSHDSACASA-N 0 3 222.336 0.599 20 0 BCADHN C[C@@H]1CN(CCn2ccccc2=O)CCN1C ZINC000761080765 585406826 /nfs/dbraw/zinc/40/68/26/585406826.db2.gz XVUQKMOPIZWHCE-GFCCVEGCSA-N 0 3 235.331 0.484 20 0 BCADHN CN(C)S(=O)(=O)CCCN1CC[C@@H]2C[C@@H]21 ZINC000761096980 585408764 /nfs/dbraw/zinc/40/87/64/585408764.db2.gz TZKLSDDJJCYBLM-ZJUUUORDSA-N 0 3 232.349 0.362 20 0 BCADHN CN(C)CCNC(=S)NCCC1CC(O)C1 ZINC000761557530 585417273 /nfs/dbraw/zinc/41/72/73/585417273.db2.gz JXMXWXBARQCNTE-UHFFFAOYSA-N 0 3 245.392 0.173 20 0 BCADHN CCN(CC)CC(=O)NC[C@H]1COC(C)(C)O1 ZINC000761681237 585418005 /nfs/dbraw/zinc/41/80/05/585418005.db2.gz IAYITHIEIGRBAK-JTQLQIEISA-N 0 3 244.335 0.596 20 0 BCADHN COC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000762617514 585434477 /nfs/dbraw/zinc/43/44/77/585434477.db2.gz XMDWJSBESNDJHZ-JTQLQIEISA-N 0 3 230.308 0.843 20 0 BCADHN CS/C=C/C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000762720996 585436186 /nfs/dbraw/zinc/43/61/86/585436186.db2.gz FOKGKUOZAPRSRZ-YVGDHZEHSA-N 0 3 230.333 0.046 20 0 BCADHN CN(C)C1(C(=O)N2CCc3n[nH]cc3C2)CCC1 ZINC000763003458 585441212 /nfs/dbraw/zinc/44/12/12/585441212.db2.gz YWSYQKGWXCYCRS-UHFFFAOYSA-N 0 3 248.330 0.779 20 0 BCADHN CN(C)C1(C(=O)NC2CCOCC2)CCC1 ZINC000763023470 585441686 /nfs/dbraw/zinc/44/16/86/585441686.db2.gz BZOHPKANEHHYDG-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CN(C)C1(C(=O)N[C@@H]2CCCN(C)C2)CCC1 ZINC000763040860 585442044 /nfs/dbraw/zinc/44/20/44/585442044.db2.gz ALIOILYJVVTJOP-LLVKDONJSA-N 0 3 239.363 0.681 20 0 BCADHN O=C(CN[C@@H](CCO)C1CC1)N1CCCCC1 ZINC000763063488 585442670 /nfs/dbraw/zinc/44/26/70/585442670.db2.gz GJTKEBUZGNHOTJ-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN CCC[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC000763072830 585442706 /nfs/dbraw/zinc/44/27/06/585442706.db2.gz OLQXQJVXDIMUEE-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN O=C1O[C@@H](CN(CCO)C2CC2)CC12CC2 ZINC000763659509 585451834 /nfs/dbraw/zinc/45/18/34/585451834.db2.gz HMIRFHLEHFOXGL-SNVBAGLBSA-N 0 3 225.288 0.539 20 0 BCADHN COCCN(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763669809 585452222 /nfs/dbraw/zinc/45/22/22/585452222.db2.gz BYFODYOELCNAQG-VIFPVBQESA-N 0 3 213.277 0.660 20 0 BCADHN CN(C[C@H](O)C1CC1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763703927 585453132 /nfs/dbraw/zinc/45/31/32/585453132.db2.gz XZJIJTZYZOEPLD-QWRGUYRKSA-N 0 3 239.315 0.785 20 0 BCADHN C[C@]1(O)CCCN(C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000763743131 585453608 /nfs/dbraw/zinc/45/36/08/585453608.db2.gz YPVDKAKPSLVMII-PWSUYJOCSA-N 0 3 239.315 0.929 20 0 BCADHN C[C@@H]1CN(C[C@H]2CC3(CC3)C(=O)O2)C[C@@H]1O ZINC000763742024 585453699 /nfs/dbraw/zinc/45/36/99/585453699.db2.gz WRQGDBLPXZBSDV-BBBLOLIVSA-N 0 3 225.288 0.395 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CC3(CC3)C(=O)O2)CC[C@H]1O ZINC000763778928 585454154 /nfs/dbraw/zinc/45/41/54/585454154.db2.gz JRBUOWOFZRXRMU-OUAUKWLOSA-N 0 3 239.315 0.785 20 0 BCADHN CC[C@@H](NC(=O)CN(C)C(C)C)C(OC)OC ZINC000763778806 585454241 /nfs/dbraw/zinc/45/42/41/585454241.db2.gz IVTINIHOWZOHKU-SNVBAGLBSA-N 0 3 246.351 0.840 20 0 BCADHN CC[C@@H](O)CCNC(=O)C1(N(C)C)CCC1 ZINC000763837428 585455087 /nfs/dbraw/zinc/45/50/87/585455087.db2.gz XNIUNUIJSCJUCI-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CN(CCN1CCCC1)[C@@]1(CO)CCOC1 ZINC000763880467 585456207 /nfs/dbraw/zinc/45/62/07/585456207.db2.gz GDVRJQCKOKXSKL-GFCCVEGCSA-N 0 3 228.336 0.165 20 0 BCADHN CCN(CC(=O)NC)CC1(O)CCCCC1 ZINC000764200896 585461322 /nfs/dbraw/zinc/46/13/22/585461322.db2.gz BWXHMQITTUVGAQ-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN CONC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000764482127 585465869 /nfs/dbraw/zinc/46/58/69/585465869.db2.gz ZOPASUXANGHZSX-SNVBAGLBSA-N 0 3 245.323 0.348 20 0 BCADHN C[C@H]1OCCN(C(=S)NCCN(C)C)[C@@H]1C ZINC000764491636 585466691 /nfs/dbraw/zinc/46/66/91/585466691.db2.gz VKIDBVILFLLDGG-NXEZZACHSA-N 0 3 245.392 0.532 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)[C@H](O)C(C)(C)C)C1 ZINC000764976844 585478128 /nfs/dbraw/zinc/47/81/28/585478128.db2.gz FZMRLPPVJVPXAC-MNOVXSKESA-N 0 3 242.363 0.946 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@@H](O)C(C)(C)C)C1 ZINC000764976846 585478131 /nfs/dbraw/zinc/47/81/31/585478131.db2.gz FZMRLPPVJVPXAC-WDEREUQCSA-N 0 3 242.363 0.946 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@H](O)C(C)(C)C)C1 ZINC000765011286 585479263 /nfs/dbraw/zinc/47/92/63/585479263.db2.gz MUSUQRVWXDRVAI-MNOVXSKESA-N 0 3 242.363 0.851 20 0 BCADHN CN(C(=O)[C@H](O)C(C)(C)C)[C@H]1CCCN(C)C1 ZINC000765103103 585481320 /nfs/dbraw/zinc/48/13/20/585481320.db2.gz RSZZULXXBWWRDK-QWRGUYRKSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)[C@H](C(=O)N1CC(O)(C(C)C)C1)N(C)C ZINC000765567784 585490117 /nfs/dbraw/zinc/49/01/17/585490117.db2.gz ZBXFXPQCIDHLOA-LLVKDONJSA-N 0 3 242.363 0.802 20 0 BCADHN CC(C)C1(O)CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000765590713 585490544 /nfs/dbraw/zinc/49/05/44/585490544.db2.gz ZXFQUUJFSZTTQM-UHFFFAOYSA-N 0 3 240.347 0.700 20 0 BCADHN CCOCC[C@@H](O)CN1CCN(C)[C@H](C)C1 ZINC000766050524 585497048 /nfs/dbraw/zinc/49/70/48/585497048.db2.gz DLEUKZCQNOFEGB-VXGBXAGGSA-N 0 3 230.352 0.410 20 0 BCADHN Cc1nccn1CCNC1(C(N)=O)CCCC1 ZINC000766253110 585499278 /nfs/dbraw/zinc/49/92/78/585499278.db2.gz UIPJBEAQZLPOOS-UHFFFAOYSA-N 0 3 236.319 0.579 20 0 BCADHN C[C@H](CO)CN1CCCC[C@H]1C1OCCO1 ZINC000766896560 585509695 /nfs/dbraw/zinc/50/96/95/585509695.db2.gz SQXSFWXAZBKNKD-QWRGUYRKSA-N 0 3 229.320 0.842 20 0 BCADHN NC(=O)CC1CCN(CCC(=O)C2CC2)CC1 ZINC000767347664 585516968 /nfs/dbraw/zinc/51/69/68/585516968.db2.gz CFYDUCPNKQUMKK-UHFFFAOYSA-N 0 3 238.331 0.943 20 0 BCADHN CNC(=O)C1CN(CC2(O)CCCCC2)C1 ZINC000767363362 585517731 /nfs/dbraw/zinc/51/77/31/585517731.db2.gz VRWPYLCUCXGWLS-UHFFFAOYSA-N 0 3 226.320 0.359 20 0 BCADHN O=C1C[C@H]2CC[C@@H](CN1)N2CCC1OCCO1 ZINC000767793184 585526142 /nfs/dbraw/zinc/52/61/42/585526142.db2.gz RUZJZDRGFOATLC-ZJUUUORDSA-N 0 3 240.303 0.102 20 0 BCADHN C[C@@H]1CN(CCC2OCCO2)[C@@H](C)CN1C ZINC000767823065 585526806 /nfs/dbraw/zinc/52/68/06/585526806.db2.gz QLHADTWAKKCQBS-MNOVXSKESA-N 0 3 228.336 0.774 20 0 BCADHN CCC(=O)CNC(=O)CCCCN(C)C ZINC000768370827 585537283 /nfs/dbraw/zinc/53/72/83/585537283.db2.gz KVMZDOITYCJYKC-UHFFFAOYSA-N 0 3 214.309 0.814 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1O ZINC000769129309 585549509 /nfs/dbraw/zinc/54/95/09/585549509.db2.gz RRNAJFCNJGIZEQ-NXEZZACHSA-N 0 3 226.320 0.310 20 0 BCADHN CCN(CCO)CCN[C@H](C)c1cnccn1 ZINC000769412987 585555996 /nfs/dbraw/zinc/55/59/96/585555996.db2.gz COVABDFYYAIMAA-LLVKDONJSA-N 0 3 238.335 0.441 20 0 BCADHN COC[C@@H](C)NC(=O)NCCN1CCC[C@@H]1C ZINC000769463764 585557446 /nfs/dbraw/zinc/55/74/46/585557446.db2.gz CJSOXTSTHXTCGY-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN CCC[C@]1(CO)CCCN1CC1OCCO1 ZINC000769914155 585566040 /nfs/dbraw/zinc/56/60/40/585566040.db2.gz VHKVSNYLUSFFBG-GFCCVEGCSA-N 0 3 229.320 0.986 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1Cc1ccc2c(c1)COC2 ZINC000770665521 585579206 /nfs/dbraw/zinc/57/92/06/585579206.db2.gz HTTONNXSVFCVPZ-KBPBESRZSA-N 0 3 249.310 0.644 20 0 BCADHN CN(CCN(C)C1CC1)CC1OCCO1 ZINC000770686552 585579838 /nfs/dbraw/zinc/57/98/38/585579838.db2.gz ZWWYNLWSHKDLOX-UHFFFAOYSA-N 0 3 214.309 0.385 20 0 BCADHN COC(=O)C[C@@]1(NC[C@H](C)OC)CCCOC1 ZINC000770704045 585580399 /nfs/dbraw/zinc/58/03/99/585580399.db2.gz VTZNAAOYYSRIOU-JQWIXIFHSA-N 0 3 245.319 0.723 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CO)C1CC1 ZINC000771022546 585587690 /nfs/dbraw/zinc/58/76/90/585587690.db2.gz NUNLWFZDZBHBQO-SNVBAGLBSA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H](CO)C1CC1)N(C)C ZINC000771034899 585588083 /nfs/dbraw/zinc/58/80/83/585588083.db2.gz PEBQOHYAHSDGMD-MNOVXSKESA-N 0 3 228.336 0.460 20 0 BCADHN C[C@@H]1[C@H](C)N(CC[C@@H]2CCOC2=O)CCN1C ZINC000771462677 585594643 /nfs/dbraw/zinc/59/46/43/585594643.db2.gz WFGUEOYLHCMQEQ-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1ncccn1 ZINC000771572385 585596746 /nfs/dbraw/zinc/59/67/46/585596746.db2.gz SUVODAXOFHWIDC-UHFFFAOYSA-N 0 3 234.303 0.643 20 0 BCADHN COC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000771577682 585597205 /nfs/dbraw/zinc/59/72/05/585597205.db2.gz DVYJUCBCLLDYFK-JTQLQIEISA-N 0 3 228.292 0.596 20 0 BCADHN CC(C)=CC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000771653327 585598682 /nfs/dbraw/zinc/59/86/82/585598682.db2.gz RCYCFAZRBLYOTH-GFCCVEGCSA-N 0 3 240.347 0.916 20 0 BCADHN CC(C)CCNC(=O)[C@H](C)N[C@H](CO)C1CC1 ZINC000771805969 585600843 /nfs/dbraw/zinc/60/08/43/585600843.db2.gz HKCFHNGHGCXPTK-CMPLNLGQSA-N 0 3 242.363 0.898 20 0 BCADHN COCCN(C)CCNC(=O)C1(F)CCCC1 ZINC000772008687 585606477 /nfs/dbraw/zinc/60/64/77/585606477.db2.gz AVYMCXXFUHNCDT-UHFFFAOYSA-N 0 3 246.326 0.963 20 0 BCADHN CO[C@@H](C)COC(=O)C1CCN(C)C1=O ZINC000772528647 585617717 /nfs/dbraw/zinc/61/77/17/585617717.db2.gz FCUPTEBOUZMOFD-JGVFFNPUSA-N 0 3 215.249 0.043 20 0 BCADHN CC(C)OCCOC(=O)C1CCN(C)C1=O ZINC000772538263 585617846 /nfs/dbraw/zinc/61/78/46/585617846.db2.gz YNYWPDPJBQICHH-SECBINFHSA-N 0 3 229.276 0.433 20 0 BCADHN CSCCOC(=O)C1CCN(C)C1=O ZINC000772535402 585617867 /nfs/dbraw/zinc/61/78/67/585617867.db2.gz RHLLCLGULSUFRO-SSDOTTSWSA-N 0 3 217.290 0.371 20 0 BCADHN COC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000772844423 585625125 /nfs/dbraw/zinc/62/51/25/585625125.db2.gz HAXJRFABORVSRY-JGVFFNPUSA-N 0 3 218.322 0.730 20 0 BCADHN CCN(CC)CC(=O)NCCOC(=O)C1CC1 ZINC000773449224 585637139 /nfs/dbraw/zinc/63/71/39/585637139.db2.gz IHNOWSNSDMSCIX-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)C[C@H]2CCCO2)CC1 ZINC000773548593 585640188 /nfs/dbraw/zinc/64/01/88/585640188.db2.gz ZENAZIZUOZYNCE-LLVKDONJSA-N 0 3 242.319 0.698 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NOC1CCN(C)CC1 ZINC000773552492 585640367 /nfs/dbraw/zinc/64/03/67/585640367.db2.gz QFHONRZYROOMEL-WPRPVWTQSA-N 0 3 212.293 0.784 20 0 BCADHN CN(C)CCOCCNC(=O)C1(F)CCCC1 ZINC000773619126 585641557 /nfs/dbraw/zinc/64/15/57/585641557.db2.gz OHDSWYRAODFUJM-UHFFFAOYSA-N 0 3 246.326 0.963 20 0 BCADHN COCCCCOC(=O)C1CCN(C)C1=O ZINC000774002197 585648174 /nfs/dbraw/zinc/64/81/74/585648174.db2.gz LLOFIFIWTBUHHA-SECBINFHSA-N 0 3 229.276 0.435 20 0 BCADHN C[C@H](OC(=O)C1CCN(C)C1=O)C(F)(F)F ZINC000774126697 585651036 /nfs/dbraw/zinc/65/10/36/585651036.db2.gz MPHZXRASYUDWMV-NTSWFWBYSA-N 0 3 239.193 0.959 20 0 BCADHN C[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccnn1C ZINC000774204783 585653784 /nfs/dbraw/zinc/65/37/84/585653784.db2.gz KBTMOLOQKINFPE-JOYOIKCWSA-N 0 3 249.318 0.538 20 0 BCADHN Cc1ccc(COC(=O)C2CCN(C)C2=O)cn1 ZINC000774213257 585654023 /nfs/dbraw/zinc/65/40/23/585654023.db2.gz WMGDCDGQQCWSFT-LLVKDONJSA-N 0 3 248.282 0.912 20 0 BCADHN COCC[C@H](C)OC(=O)C1CCN(C)C1=O ZINC000774235937 585654685 /nfs/dbraw/zinc/65/46/85/585654685.db2.gz GAITWTMZWNCOKM-IUCAKERBSA-N 0 3 229.276 0.433 20 0 BCADHN C[C@@H]1CC[C@H](COC(=O)C2CCN(C)C2=O)O1 ZINC000774257984 585655120 /nfs/dbraw/zinc/65/51/20/585655120.db2.gz RFOWGWWALAOWQH-BBBLOLIVSA-N 0 3 241.287 0.575 20 0 BCADHN CON(C)C(=O)CN1CC[C@@H](C)[C@@H](C)C1 ZINC000774765736 585665764 /nfs/dbraw/zinc/66/57/64/585665764.db2.gz ANCIVGAWLACIJM-ZJUUUORDSA-N 0 3 214.309 0.984 20 0 BCADHN C[C@H]1CCCCN(CCS(N)(=O)=O)C1 ZINC000775732708 585683692 /nfs/dbraw/zinc/68/36/92/585683692.db2.gz UULVHROVGPCONY-VIFPVBQESA-N 0 3 220.338 0.397 20 0 BCADHN CN1CC=C(CNC(=O)[C@@H](O)C(C)(C)C)CC1 ZINC000775966273 585688442 /nfs/dbraw/zinc/68/84/42/585688442.db2.gz XATGXUZJIXZBAW-LLVKDONJSA-N 0 3 240.347 0.772 20 0 BCADHN c1nncn1CN1CC[C@H](C2CCOCC2)C1 ZINC000776762459 585704641 /nfs/dbraw/zinc/70/46/41/585704641.db2.gz LSQRHAQUWGSGDQ-LBPRGKRZSA-N 0 3 236.319 0.984 20 0 BCADHN CCOC[C@H]1CCN(Cn2cnnc2)C1 ZINC000776765066 585705205 /nfs/dbraw/zinc/70/52/05/585705205.db2.gz VYCPFJKCYZYKRU-JTQLQIEISA-N 0 3 210.281 0.594 20 0 BCADHN c1nncn1CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000776764049 585705211 /nfs/dbraw/zinc/70/52/11/585705211.db2.gz WOUHVKLGMFYTHI-NEPJUHHUSA-N 0 3 236.319 0.984 20 0 BCADHN C[C@@H](C1CC1)N1CCN(CC(=O)N(C)C)CC1 ZINC000777413319 585711547 /nfs/dbraw/zinc/71/15/47/585711547.db2.gz RWLKKCZQJWLXLT-NSHDSACASA-N 0 3 239.363 0.491 20 0 BCADHN CN(C)CCNC(=S)N[C@@H]1C[C@@H](O)C1(C)C ZINC000777479549 585713343 /nfs/dbraw/zinc/71/33/43/585713343.db2.gz FWWIFQZZXNTMPU-RKDXNWHRSA-N 0 3 245.392 0.172 20 0 BCADHN C(C1OCCO1)N1CCC[C@H]2COCC[C@H]21 ZINC000777599291 585715725 /nfs/dbraw/zinc/71/57/25/585715725.db2.gz HJSKKGAHANHOOL-WDEREUQCSA-N 0 3 227.304 0.860 20 0 BCADHN CN(CC1OCCO1)C[C@H]1CCCOC1 ZINC000777582431 585715932 /nfs/dbraw/zinc/71/59/32/585715932.db2.gz GUSVMFNARVRKDK-SNVBAGLBSA-N 0 3 215.293 0.718 20 0 BCADHN C(C1OCCO1)N1CC[C@H](N2CCCCC2)C1 ZINC000777583271 585715996 /nfs/dbraw/zinc/71/59/96/585715996.db2.gz QLTOGVPGDDQBGM-LBPRGKRZSA-N 0 3 240.347 0.920 20 0 BCADHN CN1CCC[C@H](N2C(=O)[C@H]3CCCN3C2=O)C1 ZINC000777621389 585717078 /nfs/dbraw/zinc/71/70/78/585717078.db2.gz XMODSOMADJSNAM-VHSXEESVSA-N 0 3 237.303 0.507 20 0 BCADHN CCN1CC(=O)N([C@H]2CCCN(C)C2)C1=O ZINC000777618682 585717262 /nfs/dbraw/zinc/71/72/62/585717262.db2.gz AXSSPRXZVAOBKG-VIFPVBQESA-N 0 3 225.292 0.365 20 0 BCADHN CC(C)(O)[C@@H]1CCCN1CC1OCCO1 ZINC000777710192 585718680 /nfs/dbraw/zinc/71/86/80/585718680.db2.gz XEDLSVOIWIGLKW-VIFPVBQESA-N 0 3 215.293 0.595 20 0 BCADHN CCN1C[C@H](C)N(CC2OCCO2)C[C@@H]1C ZINC000777715936 585718750 /nfs/dbraw/zinc/71/87/50/585718750.db2.gz FBAAWYWBOVHHOU-QWRGUYRKSA-N 0 3 228.336 0.774 20 0 BCADHN NC(=O)CCC1CCN(CC2OCCO2)CC1 ZINC000777717678 585718921 /nfs/dbraw/zinc/71/89/21/585718921.db2.gz ZEXCPPBWLAKNJE-UHFFFAOYSA-N 0 3 242.319 0.337 20 0 BCADHN CN1CC[C@](O)(CNCc2ccc(F)nc2)C1 ZINC000778177861 585726917 /nfs/dbraw/zinc/72/69/17/585726917.db2.gz XZBMSJFIHRUUCX-LBPRGKRZSA-N 0 3 239.294 0.377 20 0 BCADHN OCCN(CCO)Cc1ccc2c(c1)COC2 ZINC000778216408 585728009 /nfs/dbraw/zinc/72/80/09/585728009.db2.gz PSNUIHYPXLGOMQ-UHFFFAOYSA-N 0 3 237.299 0.503 20 0 BCADHN CN(CC1OCCO1)C[C@@H]1CCCC[C@@H]1O ZINC000778246435 585729185 /nfs/dbraw/zinc/72/91/85/585729185.db2.gz OISBQUFPWBRNOC-QWRGUYRKSA-N 0 3 229.320 0.842 20 0 BCADHN CC[NH+](CC)CCCOC(=O)c1cnn[n-]1 ZINC000805604742 585731437 /nfs/dbraw/zinc/73/14/37/585731437.db2.gz QFIKTXFQDOVVCC-UHFFFAOYSA-N 0 3 226.280 0.693 20 0 BCADHN CC[NH+](CC)CCCOC(=O)c1c[n-]nn1 ZINC000805604742 585731438 /nfs/dbraw/zinc/73/14/38/585731438.db2.gz QFIKTXFQDOVVCC-UHFFFAOYSA-N 0 3 226.280 0.693 20 0 BCADHN COc1nc(NC(=O)CCCC[NH+](C)C)n[n-]1 ZINC000778956574 585742601 /nfs/dbraw/zinc/74/26/01/585742601.db2.gz YGYKKPOVDQLSSA-UHFFFAOYSA-N 0 3 241.295 0.484 20 0 BCADHN COc1nnc(NC(=O)CCCC[NH+](C)C)[n-]1 ZINC000778956574 585742602 /nfs/dbraw/zinc/74/26/02/585742602.db2.gz YGYKKPOVDQLSSA-UHFFFAOYSA-N 0 3 241.295 0.484 20 0 BCADHN COc1n[n-]c(NC(=O)CCCC[NH+](C)C)n1 ZINC000778956574 585742603 /nfs/dbraw/zinc/74/26/03/585742603.db2.gz YGYKKPOVDQLSSA-UHFFFAOYSA-N 0 3 241.295 0.484 20 0 BCADHN CN(C)C1(C(=O)NCC2(CCO)CC2)CCC1 ZINC000779357212 585752418 /nfs/dbraw/zinc/75/24/18/585752418.db2.gz HYIQQWYHGABHCG-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN Cc1ccc([C@H](O)CN[C@H](C)CCO)o1 ZINC000779347776 585752460 /nfs/dbraw/zinc/75/24/60/585752460.db2.gz NXLZQUIVQPEIRC-PSASIEDQSA-N 0 3 213.277 0.982 20 0 BCADHN CN(C)C1(C(=O)N2CC(n3ccnn3)C2)CCC1 ZINC000779553119 585756023 /nfs/dbraw/zinc/75/60/23/585756023.db2.gz QVLAIKWVUYHYKJ-UHFFFAOYSA-N 0 3 249.318 0.146 20 0 BCADHN CC(=O)OC(C)(C)C(=O)NCCN(C)C ZINC000779572938 585756465 /nfs/dbraw/zinc/75/64/65/585756465.db2.gz DOJXFWXNGSMDMZ-UHFFFAOYSA-N 0 3 216.281 0.006 20 0 BCADHN CC[C@@H](CO)C(=O)N(CCOC)CCN(C)C ZINC000779623618 585756715 /nfs/dbraw/zinc/75/67/15/585756715.db2.gz PBBAEBBTMMJCKW-NSHDSACASA-N 0 3 246.351 0.042 20 0 BCADHN CC[C@@H](CO)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000779620646 585756915 /nfs/dbraw/zinc/75/69/15/585756915.db2.gz ONLQIXHZGSIDBB-UWVGGRQHSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](CO)C(=O)N1CCCC[C@H]1CN(C)C ZINC000779622806 585757441 /nfs/dbraw/zinc/75/74/41/585757441.db2.gz GXHMHIUJHNVTCX-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@H](CO)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000779637127 585757698 /nfs/dbraw/zinc/75/76/98/585757698.db2.gz GKUFHDMZPWBZTP-UTUOFQBUSA-N 0 3 242.363 0.804 20 0 BCADHN C[C@@H](CNC(=O)/C=C/c1cncc([O-])c1)[NH+](C)C ZINC000779656578 585758420 /nfs/dbraw/zinc/75/84/20/585758420.db2.gz VPEIUAZIKAZPLW-YEZKRMTDSA-N 0 3 249.314 0.867 20 0 BCADHN CC[C@H](CO)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000779783696 585762890 /nfs/dbraw/zinc/76/28/90/585762890.db2.gz BWVYVYIUMUKSGV-TUAOUCFPSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@H](CO)C(=O)NCC1=CCN(C)CC1 ZINC000779828814 585767749 /nfs/dbraw/zinc/76/77/49/585767749.db2.gz PHUMXAGNIXRIFL-NSHDSACASA-N 0 3 226.320 0.383 20 0 BCADHN CC[C@@H](CO)C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000779836613 585768383 /nfs/dbraw/zinc/76/83/83/585768383.db2.gz DVTGIZBPCFQQHY-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1CCCN1CCNS(=O)(=O)CC1CC1 ZINC000780866224 585785491 /nfs/dbraw/zinc/78/54/91/585785491.db2.gz JSFGAJMAXZGZAT-SNVBAGLBSA-N 0 3 246.376 0.800 20 0 BCADHN CC[C@@H](C(=O)NN1CCCC1=O)N(CC)CC ZINC000781061300 585789312 /nfs/dbraw/zinc/78/93/12/585789312.db2.gz NJUZUIDOJCAYOT-JTQLQIEISA-N 0 3 241.335 0.760 20 0 BCADHN COC(CN(C)[C@@H]1CCN(C2CC2)C1)OC ZINC000781887198 585804568 /nfs/dbraw/zinc/80/45/68/585804568.db2.gz YTZPKJOOFJFQDE-LLVKDONJSA-N 0 3 228.336 0.774 20 0 BCADHN COC(CN1C[C@@H](SC)[C@@H](N(C)C)C1)OC ZINC000781905259 585805033 /nfs/dbraw/zinc/80/50/33/585805033.db2.gz XUJDRAIOGHXQSY-VHSXEESVSA-N 0 3 248.392 0.583 20 0 BCADHN COC(CN1C[C@H](SC)[C@@H](N(C)C)C1)OC ZINC000781905258 585805052 /nfs/dbraw/zinc/80/50/52/585805052.db2.gz XUJDRAIOGHXQSY-UWVGGRQHSA-N 0 3 248.392 0.583 20 0 BCADHN C[C@@H](C1CC1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000782182099 585810189 /nfs/dbraw/zinc/81/01/89/585810189.db2.gz RZABYACHVPVBNF-WCBMZHEXSA-N 0 3 232.349 0.408 20 0 BCADHN CNC(=O)N1CCN([C@H](C)C2CC2)CC1 ZINC000782190003 585810974 /nfs/dbraw/zinc/81/09/74/585810974.db2.gz SSWZJLLCESMZCB-SECBINFHSA-N 0 3 211.309 0.742 20 0 BCADHN C[C@@H](C1CC1)N1CCN2CCOC[C@H]2C1 ZINC000782192346 585811534 /nfs/dbraw/zinc/81/15/34/585811534.db2.gz GWMMTPXURNLWPE-CMPLNLGQSA-N 0 3 210.321 0.801 20 0 BCADHN C[C@@H](C1CC1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000782190142 585811657 /nfs/dbraw/zinc/81/16/57/585811657.db2.gz UPSYPSHWDTXLSM-JTQLQIEISA-N 0 3 239.363 0.666 20 0 BCADHN CCCCNC(=O)CCN1C[C@H]2C[C@@]2(CO)C1 ZINC000782605904 585821730 /nfs/dbraw/zinc/82/17/30/585821730.db2.gz GEFKZKKNSLQZBV-YPMHNXCESA-N 0 3 240.347 0.607 20 0 BCADHN CCOC(=O)CCCN1C[C@@H]2C[C@]2(CO)C1 ZINC000782610043 585821825 /nfs/dbraw/zinc/82/18/25/585821825.db2.gz UFRZYSNUSCLDQL-CMPLNLGQSA-N 0 3 227.304 0.644 20 0 BCADHN OC[C@@]12C[C@@H]1CN(CCCN1CCOCC1)C2 ZINC000782619846 585822854 /nfs/dbraw/zinc/82/28/54/585822854.db2.gz SCYCCKAXUPKOII-OLZOCXBDSA-N 0 3 240.347 0.023 20 0 BCADHN CC(C)NC(=O)CCN1C[C@@H]2C[C@]2(CO)C1 ZINC000782623096 585822990 /nfs/dbraw/zinc/82/29/90/585822990.db2.gz YJSFWLNTBWGXPH-CMPLNLGQSA-N 0 3 226.320 0.215 20 0 BCADHN CSC[C@H](O)CN1C[C@@H]2C[C@]2(CO)C1 ZINC000782628872 585823247 /nfs/dbraw/zinc/82/32/47/585823247.db2.gz SLPZHJKBCRIMCE-IVZWLZJFSA-N 0 3 217.334 0.025 20 0 BCADHN Cc1nn(C)c(C)c1CN1C[C@@H]2C[C@]2(CO)C1 ZINC000782631186 585823333 /nfs/dbraw/zinc/82/33/33/585823333.db2.gz FLRLYTNFDRVPGU-WCQYABFASA-N 0 3 235.331 0.851 20 0 BCADHN OC[C@@]12C[C@@H]1CN(CCc1cccnc1)C2 ZINC000782630922 585823494 /nfs/dbraw/zinc/82/34/94/585823494.db2.gz ZFBGTFFEZCVUFK-OLZOCXBDSA-N 0 3 218.300 0.938 20 0 BCADHN CCOC(=O)CCN1C[C@H]2C[C@@]2(CO)C1 ZINC000782637061 585823833 /nfs/dbraw/zinc/82/38/33/585823833.db2.gz ZPPJILHVZSRZOB-KOLCDFICSA-N 0 3 213.277 0.254 20 0 BCADHN COC[C@H](C)CN1CCN(CCCCO)CC1 ZINC000783564151 585836831 /nfs/dbraw/zinc/83/68/31/585836831.db2.gz BRKMICAVCWVRTJ-CYBMUJFWSA-N 0 3 244.379 0.659 20 0 BCADHN C[C@H](O)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC000783632041 585838835 /nfs/dbraw/zinc/83/88/35/585838835.db2.gz SOVVPFBATVYSHA-UWVGGRQHSA-N 0 3 228.336 0.746 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H]2C[C@@]2(CO)C1 ZINC000783783292 585843173 /nfs/dbraw/zinc/84/31/73/585843173.db2.gz GPYYVMJWWMYIIQ-PWSUYJOCSA-N 0 3 226.320 0.167 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H]2C[C@@]2(CO)C1 ZINC000783799944 585843480 /nfs/dbraw/zinc/84/34/80/585843480.db2.gz ZVIOAEDWKBLPEC-PWSUYJOCSA-N 0 3 226.320 0.169 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1ccn(C)n1 ZINC000783920560 585845647 /nfs/dbraw/zinc/84/56/47/585845647.db2.gz MQTHPIPSNAHPCT-SNVBAGLBSA-N 0 3 236.319 0.634 20 0 BCADHN CC[C@@H](C(=O)NCCN1CCC[C@H]1C)N(C)C ZINC000783922859 585845940 /nfs/dbraw/zinc/84/59/40/585845940.db2.gz WNMRIUFUNAIWTI-NEPJUHHUSA-N 0 3 241.379 0.927 20 0 BCADHN COC(CN(C)[C@H]1CC[C@H](O)CC1)OC ZINC000784397418 585858507 /nfs/dbraw/zinc/85/85/07/585858507.db2.gz JDTJIXWLLMYKBH-MGCOHNPYSA-N 0 3 217.309 0.841 20 0 BCADHN CON(C)C(=O)CN(C)[C@H]1CC[C@H](O)CC1 ZINC000784397113 585858543 /nfs/dbraw/zinc/85/85/43/585858543.db2.gz ZCUWGEDQBCNKIU-MGCOHNPYSA-N 0 3 230.308 0.242 20 0 BCADHN CC(C)[C@H](F)C(=O)NC[C@@](C)(O)CN(C)C ZINC000784449542 585860145 /nfs/dbraw/zinc/86/01/45/585860145.db2.gz AZJWQZPVIQKQJJ-GXSJLCMTSA-N 0 3 234.315 0.409 20 0 BCADHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CC1OCCO1 ZINC000785547144 585875102 /nfs/dbraw/zinc/87/51/02/585875102.db2.gz SZWDAWAJUMOIGJ-VWYCJHECSA-N 0 3 229.320 0.841 20 0 BCADHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CC1OCCO1 ZINC000785547141 585875495 /nfs/dbraw/zinc/87/54/95/585875495.db2.gz SZWDAWAJUMOIGJ-GMTAPVOTSA-N 0 3 229.320 0.841 20 0 BCADHN CON(C)C(=O)CN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000785545528 585875607 /nfs/dbraw/zinc/87/56/07/585875607.db2.gz HOEQHPMORUJWSH-GARJFASQSA-N 0 3 244.335 0.488 20 0 BCADHN Cc1cc(N2C[C@H](C)N(C)C[C@@H]2C)nc(N)n1 ZINC000785836789 585881662 /nfs/dbraw/zinc/88/16/62/585881662.db2.gz GFJFGWLPPMNALB-UWVGGRQHSA-N 0 3 235.335 0.896 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cnn(C)n2)CCN1C ZINC000786232825 585888902 /nfs/dbraw/zinc/88/89/02/585888902.db2.gz ZBRCMDGRJTXSMI-IUCAKERBSA-N 0 3 237.307 0.028 20 0 BCADHN CO[C@@H]1CC(=O)N(CN2C[C@@H](C)[C@H](C)C2)C1 ZINC000787225576 585903734 /nfs/dbraw/zinc/90/37/34/585903734.db2.gz BOMYDTCWYPUSMS-GMTAPVOTSA-N 0 3 226.320 0.779 20 0 BCADHN CO[C@@H]1CC(=O)N(CN2C[C@@H](C)C[C@H]2C)C1 ZINC000787231838 585903771 /nfs/dbraw/zinc/90/37/71/585903771.db2.gz VZNKBLULVDNVDC-HBNTYKKESA-N 0 3 226.320 0.922 20 0 BCADHN CN1C[C@@H]2CN(C(=O)C(=O)C(C)(C)C)C[C@@H]2C1 ZINC000787634081 585913294 /nfs/dbraw/zinc/91/32/94/585913294.db2.gz CFTUFROXFFGSRY-AOOOYVTPSA-N 0 3 238.331 0.622 20 0 BCADHN COC(=O)[C@@]1(C)CCN(CC[S@@](C)=O)C1 ZINC000787732735 585914851 /nfs/dbraw/zinc/91/48/51/585914851.db2.gz ZYTHKLVOUYZTFK-ZUZCIYMTSA-N 0 3 233.333 0.250 20 0 BCADHN COC(=O)[C@]1(C)CCN(CC[S@@](C)=O)C1 ZINC000787732734 585914968 /nfs/dbraw/zinc/91/49/68/585914968.db2.gz ZYTHKLVOUYZTFK-MEBBXXQBSA-N 0 3 233.333 0.250 20 0 BCADHN CC[C@H](CO)N1CCN(c2ccncc2)CC1 ZINC000788327768 585922152 /nfs/dbraw/zinc/92/21/52/585922152.db2.gz RSPDLZLMBZSYHT-GFCCVEGCSA-N 0 3 235.331 0.975 20 0 BCADHN COCCONC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000789043257 585934133 /nfs/dbraw/zinc/93/41/33/585934133.db2.gz ZNKBRPVKKFVZKP-ZJUUUORDSA-N 0 3 245.323 0.346 20 0 BCADHN CCN(CC)CCOC(=O)CC(=O)NC ZINC000789097297 585935179 /nfs/dbraw/zinc/93/51/79/585935179.db2.gz XVMUTOKYBUGRPK-UHFFFAOYSA-N 0 3 216.281 0.008 20 0 BCADHN CCN(CCC[C@@H](C)O)CC(=O)NC ZINC000789309913 585939452 /nfs/dbraw/zinc/93/94/52/585939452.db2.gz OCHBWZSYAPVDJN-SECBINFHSA-N 0 3 202.298 0.215 20 0 BCADHN C[C@H](O)CCCN(C)[C@H]1CCCCNC1=O ZINC000789319683 585939811 /nfs/dbraw/zinc/93/98/11/585939811.db2.gz VLICTCSWBNLBED-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN COCCONC(=O)N1CCC[C@H](N(C)C)C1 ZINC000789346371 585940748 /nfs/dbraw/zinc/94/07/48/585940748.db2.gz IHONVQHPBFNTGI-JTQLQIEISA-N 0 3 245.323 0.300 20 0 BCADHN C[C@@H]1CC[C@H](CN2C[C@H]3C[C@@]3(CO)C2)O1 ZINC000789424378 585942656 /nfs/dbraw/zinc/94/26/56/585942656.db2.gz YXHYBWLNZIRVCX-KKOKHZNYSA-N 0 3 211.305 0.868 20 0 BCADHN Cc1nn[nH]c1C(=O)N[C@@H](CN(C)C)C(C)C ZINC000789948829 585954405 /nfs/dbraw/zinc/95/44/05/585954405.db2.gz BPGOBFSCWLCLSK-VIFPVBQESA-N 0 3 239.323 0.429 20 0 BCADHN Cc1nn[nH]c1C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000789943503 585954479 /nfs/dbraw/zinc/95/44/79/585954479.db2.gz YRYJGJXPTKJJOL-SNVBAGLBSA-N 0 3 249.318 0.422 20 0 BCADHN Cc1ccc([C@@H](O)CN[C@H]2CCN(C)C2=O)cc1 ZINC000791136823 585974402 /nfs/dbraw/zinc/97/44/02/585974402.db2.gz PHLNTWCGRQNPDO-STQMWFEESA-N 0 3 248.326 0.849 20 0 BCADHN CN(C)C1(C(=O)N2C[C@H](O)C(C)(C)C2)CCC1 ZINC000791160710 585974816 /nfs/dbraw/zinc/97/48/16/585974816.db2.gz FAUVWGKNQPNTKH-JTQLQIEISA-N 0 3 240.347 0.700 20 0 BCADHN COC/C=C/C(=O)NCCN1CCCCC1 ZINC000791327939 585976602 /nfs/dbraw/zinc/97/66/02/585976602.db2.gz RZCALJRNZFATCN-AATRIKPKSA-N 0 3 226.320 0.791 20 0 BCADHN COC/C=C/C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000791348050 585978105 /nfs/dbraw/zinc/97/81/05/585978105.db2.gz BZJZUJQQLLBLDQ-ORAHPGNNSA-N 0 3 226.320 0.788 20 0 BCADHN COC/C=C/C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000791372377 585979344 /nfs/dbraw/zinc/97/93/44/585979344.db2.gz ZCBKVLASROYCGN-IEVRTODYSA-N 0 3 240.347 0.988 20 0 BCADHN CN1CCC2(CCN2C(=O)CC(C)(C)O)CC1 ZINC000792644736 586003552 /nfs/dbraw/zinc/00/35/52/586003552.db2.gz UMIDUYDPJCMFFY-UHFFFAOYSA-N 0 3 240.347 0.844 20 0 BCADHN O=C(NOCC(F)F)N[C@@H]1CCN(C2CC2)C1 ZINC000792989589 586008046 /nfs/dbraw/zinc/00/80/46/586008046.db2.gz JWSPWENTIUGJRN-SSDOTTSWSA-N 0 3 249.261 0.719 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1cnn(C)n1 ZINC000793461263 586020537 /nfs/dbraw/zinc/02/05/37/586020537.db2.gz NMIHZWNKPFTNTB-SECBINFHSA-N 0 3 237.307 0.029 20 0 BCADHN CN1CCC[C@@H](CNC(=O)CC2OCCO2)C1 ZINC000793463145 586020647 /nfs/dbraw/zinc/02/06/47/586020647.db2.gz ZSJXNWSIMFVCBR-JTQLQIEISA-N 0 3 242.319 0.207 20 0 BCADHN CC(=O)NCCCN[C@@H](C)c1cc(C)nn1C ZINC000793513433 586021497 /nfs/dbraw/zinc/02/14/97/586021497.db2.gz BKNKIRYIUNDNHD-JTQLQIEISA-N 0 3 238.335 0.905 20 0 BCADHN CNC(=O)CCCN[C@H](C)c1cc(C)nn1C ZINC000793529670 586022008 /nfs/dbraw/zinc/02/20/08/586022008.db2.gz SYOHIVUJARLVOE-SNVBAGLBSA-N 0 3 238.335 0.905 20 0 BCADHN COC[C@H](CCO)N[C@H](C)c1cc(C)nn1C ZINC000793535674 586022323 /nfs/dbraw/zinc/02/23/23/586022323.db2.gz QERPOFOSQFFDMJ-MNOVXSKESA-N 0 3 241.335 0.777 20 0 BCADHN COC[C@@H](CCO)N[C@@H](C)c1cc(C)nn1C ZINC000793535676 586022335 /nfs/dbraw/zinc/02/23/35/586022335.db2.gz QERPOFOSQFFDMJ-WDEREUQCSA-N 0 3 241.335 0.777 20 0 BCADHN COC[C@H](CCO)N[C@@H](C)c1cc(C)nn1C ZINC000793535675 586022341 /nfs/dbraw/zinc/02/23/41/586022341.db2.gz QERPOFOSQFFDMJ-QWRGUYRKSA-N 0 3 241.335 0.777 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)CC2OCCO2)CCN1C ZINC000793557586 586022892 /nfs/dbraw/zinc/02/28/92/586022892.db2.gz VZAUKGMNIWOBCJ-UWVGGRQHSA-N 0 3 242.319 0.348 20 0 BCADHN O[C@H](CN1CCN([C@@H]2CCOC2)CC1)C1CC1 ZINC000794555431 586044083 /nfs/dbraw/zinc/04/40/83/586044083.db2.gz LRAKLGSMXQFIGH-CHWSQXEVSA-N 0 3 240.347 0.164 20 0 BCADHN CCN(CC1CCC1)CN1CC(=O)N(C)C1=O ZINC000794689159 586046693 /nfs/dbraw/zinc/04/66/93/586046693.db2.gz YLVPEJCZWOAUSD-UHFFFAOYSA-N 0 3 239.319 0.960 20 0 BCADHN CCN(C[C@H]1CC2(CC2)C(=O)O1)[C@H](C)CO ZINC000794712921 586046998 /nfs/dbraw/zinc/04/69/98/586046998.db2.gz UALDWBNCOPFHAY-NXEZZACHSA-N 0 3 227.304 0.785 20 0 BCADHN O=C1CC[C@@H](N2CCC(C3CC3)CC2)C(=O)N1 ZINC000794893389 586053626 /nfs/dbraw/zinc/05/36/26/586053626.db2.gz HRKSEEPVOJBETP-LLVKDONJSA-N 0 3 236.315 0.914 20 0 BCADHN CC[C@H](CO)NCC(=O)Nc1ccc(O)cc1 ZINC000794916741 586054809 /nfs/dbraw/zinc/05/48/09/586054809.db2.gz RIHDGQQEXDGUKU-SECBINFHSA-N 0 3 238.287 0.691 20 0 BCADHN CC(C)COC(=O)CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000794949714 586057299 /nfs/dbraw/zinc/05/72/99/586057299.db2.gz RPFKIJTTXMXZNB-NEPJUHHUSA-N 0 3 240.347 0.822 20 0 BCADHN Cc1ccnc(CN2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000794947915 586057425 /nfs/dbraw/zinc/05/74/25/586057425.db2.gz DOEVCRNWTOPAQV-NEPJUHHUSA-N 0 3 232.331 0.921 20 0 BCADHN O[C@H](CN1CCN(c2ccncc2)CC1)C1CC1 ZINC000795096414 586068613 /nfs/dbraw/zinc/06/86/13/586068613.db2.gz WCZVEERXEOSPMK-CQSZACIVSA-N 0 3 247.342 0.975 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)OCCF ZINC000859296934 589028946 /nfs/dbraw/zinc/02/89/46/589028946.db2.gz WBGWRAYDEHRGIQ-MRVPVSSYSA-N 0 3 204.245 0.776 20 0 BCADHN COC(CN(C)C1(CO)CCC1)OC ZINC000795199586 586071549 /nfs/dbraw/zinc/07/15/49/586071549.db2.gz CBQVNZYDORKNEW-UHFFFAOYSA-N 0 3 203.282 0.452 20 0 BCADHN CCN(CC)CCOC(=O)CCNC(=O)NC ZINC000795620336 586089119 /nfs/dbraw/zinc/08/91/19/586089119.db2.gz HTKBBTSKXQHFAL-UHFFFAOYSA-N 0 3 245.323 0.191 20 0 BCADHN CO[C@H]1C[C@@H](N(C)CCN2CCOC2=O)C1 ZINC000796218984 586099007 /nfs/dbraw/zinc/09/90/07/586099007.db2.gz CMJWISFYOFGEEA-AOOOYVTPSA-N 0 3 228.292 0.548 20 0 BCADHN CCN1CCN(CC[C@H]2CCOC2=O)[C@@H](C)C1 ZINC000796316641 586100397 /nfs/dbraw/zinc/10/03/97/586100397.db2.gz NMIGJSVCQJWAHM-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN NC(=O)C[C@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000796441223 586103195 /nfs/dbraw/zinc/10/31/95/586103195.db2.gz JJEPLZOCZJLHAU-SECBINFHSA-N 0 3 222.292 0.497 20 0 BCADHN CON(C)C(=O)CN1CCC[C@@](C)(OC)CC1 ZINC000796500497 586105438 /nfs/dbraw/zinc/10/54/38/586105438.db2.gz NPJWABBFFMUTDT-GFCCVEGCSA-N 0 3 244.335 0.897 20 0 BCADHN CCC(=O)CCN(CCO)[C@H]1CCO[C@H]1C ZINC000796573977 586107037 /nfs/dbraw/zinc/10/70/37/586107037.db2.gz GENTUHOMENQVCT-JQWIXIFHSA-N 0 3 229.320 0.827 20 0 BCADHN CC(=O)CCN(CCO)[C@@H]1CCO[C@@H]1C ZINC000796576569 586107527 /nfs/dbraw/zinc/10/75/27/586107527.db2.gz YCGXJTMHXPILEP-GHMZBOCLSA-N 0 3 215.293 0.437 20 0 BCADHN C[C@@H]1OCC[C@@H]1N(CCO)CCC(=O)C1CC1 ZINC000796580799 586107530 /nfs/dbraw/zinc/10/75/30/586107530.db2.gz SUKSTOFTRHJMKT-JQWIXIFHSA-N 0 3 241.331 0.827 20 0 BCADHN CN(CCC(N)=O)C[C@H](O)c1ccc(F)cn1 ZINC000796596346 586108245 /nfs/dbraw/zinc/10/82/45/586108245.db2.gz UFKKTXZPPVNCGN-JTQLQIEISA-N 0 3 241.266 0.061 20 0 BCADHN C[C@@H](NCCC(N)=O)[C@@H](O)c1ccc(F)cc1 ZINC000843074293 586126315 /nfs/dbraw/zinc/12/63/15/586126315.db2.gz LPPPCYBFAYMGRT-PRHODGIISA-N 0 3 240.278 0.713 20 0 BCADHN CCN1CCC[C@@H]1CNC(=S)NCCF ZINC000797793259 586131455 /nfs/dbraw/zinc/13/14/55/586131455.db2.gz OISDATMRAWRTCA-SECBINFHSA-N 0 3 233.356 0.904 20 0 BCADHN COC1CCN(CC[S@@](C)=O)CC1 ZINC000798194087 586139484 /nfs/dbraw/zinc/13/94/84/586139484.db2.gz UUSKAWVAJLERGC-CYBMUJFWSA-N 0 3 205.323 0.476 20 0 BCADHN C[S@](=O)CCN1CC[C@H](N2CCCC2)C1 ZINC000798195949 586139969 /nfs/dbraw/zinc/13/99/69/586139969.db2.gz RCWFOMFPCVTIFU-NHYWBVRUSA-N 0 3 230.377 0.535 20 0 BCADHN CCCCCN(CCO)CC[S@@](C)=O ZINC000798196358 586140016 /nfs/dbraw/zinc/14/00/16/586140016.db2.gz VEIATABCAIEPSY-CQSZACIVSA-N 0 3 221.366 0.849 20 0 BCADHN C[S@@](=O)CCN1CC[C@@H](N2CCCC2)C1 ZINC000798195947 586140164 /nfs/dbraw/zinc/14/01/64/586140164.db2.gz RCWFOMFPCVTIFU-IAQYHMDHSA-N 0 3 230.377 0.535 20 0 BCADHN COC/C=C\C(=O)NCCCN(C)CCOC ZINC000798280019 586142205 /nfs/dbraw/zinc/14/22/05/586142205.db2.gz IRYLXNOTNKGSOL-XQRVVYSFSA-N 0 3 244.335 0.274 20 0 BCADHN CN(C)C1(C(=O)N(C)[C@@H]2CCOC2)CCC1 ZINC000798959241 586154293 /nfs/dbraw/zinc/15/42/93/586154293.db2.gz ABRYPUAKEKIADS-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)c1cnnn1C ZINC000798966673 586154484 /nfs/dbraw/zinc/15/44/84/586154484.db2.gz GYJVUJNOPHYZHA-VIFPVBQESA-N 0 3 239.323 0.131 20 0 BCADHN CN(C)CC1(NC(=O)[C@@H](O)C(C)(C)C)CCC1 ZINC000799038074 586154912 /nfs/dbraw/zinc/15/49/12/586154912.db2.gz GIPPPMHSBILCFO-SNVBAGLBSA-N 0 3 242.363 0.994 20 0 BCADHN CCN(C[C@H]1CCOC1)[C@@H]1CCC(=O)NC1=O ZINC000799113745 586157355 /nfs/dbraw/zinc/15/73/55/586157355.db2.gz KVVUAMGEJMIALQ-NXEZZACHSA-N 0 3 240.303 0.150 20 0 BCADHN CN(CC1CCCC1)[C@@H]1CCC(=O)NC1=O ZINC000799120645 586158878 /nfs/dbraw/zinc/15/88/78/586158878.db2.gz YMVXVXQMDMJGKQ-SNVBAGLBSA-N 0 3 224.304 0.914 20 0 BCADHN CC1(C)CCCN([C@H]2CCC(=O)NC2=O)C1 ZINC000799122115 586159030 /nfs/dbraw/zinc/15/90/30/586159030.db2.gz PGRZRJRKGHLGRB-VIFPVBQESA-N 0 3 224.304 0.914 20 0 BCADHN CCO[C@@H]1CCCN(CCC(=O)N(C)OC)C1 ZINC000799123266 586159950 /nfs/dbraw/zinc/15/99/50/586159950.db2.gz RCOXHDGTUGNLMD-LLVKDONJSA-N 0 3 244.335 0.897 20 0 BCADHN CC1(C)CCN([C@H]2CCC(=O)NC2=O)C1 ZINC000799124122 586160312 /nfs/dbraw/zinc/16/03/12/586160312.db2.gz PBYPSDLDQNQZHQ-QMMMGPOBSA-N 0 3 210.277 0.524 20 0 BCADHN CC1(C)CN([C@@H]2CCC(=O)NC2=O)CCCO1 ZINC000799123402 586160343 /nfs/dbraw/zinc/16/03/43/586160343.db2.gz UNISELKRBBVDTF-SECBINFHSA-N 0 3 240.303 0.293 20 0 BCADHN O=C1CC[C@H](N2CCC3(CCC3)C2)C(=O)N1 ZINC000799128030 586160571 /nfs/dbraw/zinc/16/05/71/586160571.db2.gz JRGNYBFPJYZCCI-VIFPVBQESA-N 0 3 222.288 0.668 20 0 BCADHN C[C@@H]1CCN([C@H]2CCC(=O)NC2=O)C[C@@H]1C ZINC000799147139 586161920 /nfs/dbraw/zinc/16/19/20/586161920.db2.gz GWUXAKCQBUOSSF-UTLUCORTSA-N 0 3 224.304 0.770 20 0 BCADHN O=C1CC[C@@H](N2CCCC3(CC3)C2)C(=O)N1 ZINC000799163959 586162728 /nfs/dbraw/zinc/16/27/28/586162728.db2.gz CLYQRDYQUKIUKG-SECBINFHSA-N 0 3 222.288 0.668 20 0 BCADHN CCCCN(CCCO)[C@H]1CCC(=O)NC1=O ZINC000799158826 586162957 /nfs/dbraw/zinc/16/29/57/586162957.db2.gz UELWRELWVHFGRE-JTQLQIEISA-N 0 3 242.319 0.276 20 0 BCADHN CO[C@@]1(C)CCCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000799168911 586164753 /nfs/dbraw/zinc/16/47/53/586164753.db2.gz YVVRUPZCEXBLOH-SKDRFNHKSA-N 0 3 240.303 0.293 20 0 BCADHN CSCCCN(C)[C@@H]1CCC(=O)NC1=O ZINC000799198503 586166965 /nfs/dbraw/zinc/16/69/65/586166965.db2.gz GMVPOZBAXDXTQP-MRVPVSSYSA-N 0 3 230.333 0.477 20 0 BCADHN C[C@@H](O)CN(C)C[C@H](O)c1ccc(F)cn1 ZINC000799302888 586168668 /nfs/dbraw/zinc/16/86/68/586168668.db2.gz AZIKSVLPJWPDHI-KCJUWKMLSA-N 0 3 228.267 0.567 20 0 BCADHN C[C@H](O)CCN(C)C[C@@H](O)c1ccc(F)cn1 ZINC000799303004 586170094 /nfs/dbraw/zinc/17/00/94/586170094.db2.gz FKNIIGLOCYZKIZ-JOYOIKCWSA-N 0 3 242.294 0.957 20 0 BCADHN CC[C@H](O)CN[C@H](C(=O)N1CCCC1)C(C)C ZINC000799315237 586170909 /nfs/dbraw/zinc/17/09/09/586170909.db2.gz YUTZXIPZJPOXAU-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CN(CCCCO)C[C@H](O)c1ccc(F)cn1 ZINC000799322844 586171879 /nfs/dbraw/zinc/17/18/79/586171879.db2.gz NPFNYBSRFSFBAZ-LBPRGKRZSA-N 0 3 242.294 0.958 20 0 BCADHN CCN(CC[C@H]1CCOC1=O)[C@H]1CCNC1=O ZINC000799353028 586173764 /nfs/dbraw/zinc/17/37/64/586173764.db2.gz XVFQGUYCDTXLNI-UWVGGRQHSA-N 0 3 240.303 0.150 20 0 BCADHN CO[C@H]1CCCC[C@@H]1N[C@H]1CCC(=O)NC1=O ZINC000799372584 586174229 /nfs/dbraw/zinc/17/42/29/586174229.db2.gz WRZROUOKNMBQBQ-GUBZILKMSA-N 0 3 240.303 0.339 20 0 BCADHN Cn1cc(CCN2CC3CC2(C)C3)nn1 ZINC000859361023 589034166 /nfs/dbraw/zinc/03/41/66/589034166.db2.gz CFHQMWBIMPZIGV-UHFFFAOYSA-N 0 3 206.293 0.842 20 0 BCADHN Cc1cc(N[C@@H](C)C(=O)NCCF)nc(N)n1 ZINC000799971886 586203660 /nfs/dbraw/zinc/20/36/60/586203660.db2.gz AINJVLNNNXCXRP-ZETCQYMHSA-N 0 3 241.270 0.253 20 0 BCADHN Cc1cc(N[C@H](C)C(=O)NCCF)nc(N)n1 ZINC000799971885 586203975 /nfs/dbraw/zinc/20/39/75/586203975.db2.gz AINJVLNNNXCXRP-SSDOTTSWSA-N 0 3 241.270 0.253 20 0 BCADHN CC(C)OC[C@@H](C)NC[C@@H](O)c1cnn(C)c1 ZINC000800242382 586205814 /nfs/dbraw/zinc/20/58/14/586205814.db2.gz BZKWVQXHYYXEJO-ZYHUDNBSSA-N 0 3 241.335 0.857 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2ncccn2)C1 ZINC000839898670 586213180 /nfs/dbraw/zinc/21/31/80/586213180.db2.gz GUWKLRRNXFMPET-SECBINFHSA-N 0 3 220.276 0.301 20 0 BCADHN C[C@@H]1CN(CCN2C[C@H]3C[C@@]3(CO)C2)CCO1 ZINC000800379851 586214299 /nfs/dbraw/zinc/21/42/99/586214299.db2.gz XUSBTYGRMVSPDR-UPJWGTAASA-N 0 3 240.347 0.021 20 0 BCADHN CCn1cc(OC(=O)C2CCN(C)C2=O)cn1 ZINC000800431223 586219212 /nfs/dbraw/zinc/21/92/12/586219212.db2.gz VSFQABMDCZBLBH-SECBINFHSA-N 0 3 237.259 0.287 20 0 BCADHN CC[C@H](O)CNC[C@@H](O)c1ccc(F)cn1 ZINC000843080249 586225528 /nfs/dbraw/zinc/22/55/28/586225528.db2.gz QWVBFNNHKPXDQV-GXSJLCMTSA-N 0 3 228.267 0.615 20 0 BCADHN Cc1nn[nH]c1C(=O)NCCN1CCC[C@H]1C ZINC000800694546 586227758 /nfs/dbraw/zinc/22/77/58/586227758.db2.gz NHUVZMLDVCCUPC-MRVPVSSYSA-N 0 3 237.307 0.327 20 0 BCADHN Cn1nccc1[C@H]1CCCN(Cn2cnnc2)C1 ZINC000800859642 586234425 /nfs/dbraw/zinc/23/44/25/586234425.db2.gz POPAAISNZBIFRM-NSHDSACASA-N 0 3 246.318 0.849 20 0 BCADHN C[Si](C)(C)CN1C[C@@H]2COC[C@H](C1)O2 ZINC000801589808 586265167 /nfs/dbraw/zinc/26/51/67/586265167.db2.gz BJNYETTUDQHPAP-AOOOYVTPSA-N 0 3 215.369 0.963 20 0 BCADHN CSC[C@H](O)CNC[C@@H](O)c1ccc(C)o1 ZINC000843084414 586269254 /nfs/dbraw/zinc/26/92/54/586269254.db2.gz AAIFXBPBSXZGSR-NXEZZACHSA-N 0 3 245.344 0.935 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(C[C@@H](O)C2CC2)C1 ZINC000859558010 589044684 /nfs/dbraw/zinc/04/46/84/589044684.db2.gz XSOKKADDNCNAEX-ZYHUDNBSSA-N 0 3 243.303 0.021 20 0 BCADHN C[C@H]1CCN(CN2CCC[C@@H](N(C)C)C2)C1=O ZINC000840002685 586358243 /nfs/dbraw/zinc/35/82/43/586358243.db2.gz JFMQMUJPFMTOIE-NWDGAFQWSA-N 0 3 239.363 0.838 20 0 BCADHN CC[S@](=O)CC(=O)OCCCN(C)C ZINC000803477454 586360283 /nfs/dbraw/zinc/36/02/83/586360283.db2.gz BRJSCVUXVXBERO-AWEZNQCLSA-N 0 3 221.322 0.250 20 0 BCADHN CN1CCCC[C@@H]1CCC(=O)OCC(N)=O ZINC000803857816 586378030 /nfs/dbraw/zinc/37/80/30/586378030.db2.gz IYTLYWQOXQNIQU-SECBINFHSA-N 0 3 228.292 0.279 20 0 BCADHN CN(C)CCNC(=O)COCc1ccccn1 ZINC000806302223 586409073 /nfs/dbraw/zinc/40/90/73/586409073.db2.gz FAAXONBPEMCAHM-UHFFFAOYSA-N 0 3 237.303 0.276 20 0 BCADHN CSCCNC(=S)N[C@@H](C)CN(C)C ZINC000806591583 586414958 /nfs/dbraw/zinc/41/49/58/586414958.db2.gz SEVZEXKYIGLNTF-QMMMGPOBSA-N 0 3 235.422 0.764 20 0 BCADHN C[C@@H](CN(C)C)NC(=S)NC1CCOCC1 ZINC000806591769 586414968 /nfs/dbraw/zinc/41/49/68/586414968.db2.gz ZSJRASKVYORMMR-VIFPVBQESA-N 0 3 245.392 0.580 20 0 BCADHN CN(C)CCN(C)C(=O)Cc1ccc(F)cn1 ZINC000806990391 586421673 /nfs/dbraw/zinc/42/16/73/586421673.db2.gz CKBGKBMIPIQFKQ-UHFFFAOYSA-N 0 3 239.294 0.783 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NOC[C@H]1CCOC1 ZINC000807168298 586424441 /nfs/dbraw/zinc/42/44/41/586424441.db2.gz UQEUTXNTQAOYQX-UWVGGRQHSA-N 0 3 245.323 0.204 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)COC(F)F ZINC000807271330 586431300 /nfs/dbraw/zinc/43/13/00/586431300.db2.gz SYLHNPPHHYIFDM-MRVPVSSYSA-N 0 3 236.262 0.826 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1C[C@H](C)OC1=O ZINC000808204377 586467760 /nfs/dbraw/zinc/46/77/60/586467760.db2.gz HZMMLUSJINYIHY-DTWKUNHWSA-N 0 3 228.292 0.147 20 0 BCADHN CC1(C)C[C@H]1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000808224638 586468114 /nfs/dbraw/zinc/46/81/14/586468114.db2.gz VAYUHLHWMDETQN-MNOVXSKESA-N 0 3 240.347 0.605 20 0 BCADHN Cn1cnc(CN[C@@H]2CCc3n[nH]cc3C2)c1 ZINC000808391038 586470380 /nfs/dbraw/zinc/47/03/80/586470380.db2.gz HNLZEQJUGKGTHQ-SNVBAGLBSA-N 0 3 231.303 0.790 20 0 BCADHN Cn1cnc(CNC[C@H](CO)Cc2ccco2)c1 ZINC000808395835 586471018 /nfs/dbraw/zinc/47/10/18/586471018.db2.gz HJHUGSJCKWCGKZ-LLVKDONJSA-N 0 3 249.314 0.954 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NCc1cn(C)cn1 ZINC000808396510 586471084 /nfs/dbraw/zinc/47/10/84/586471084.db2.gz ZQPBRQOPSQKYSB-MFKMUULPSA-N 0 3 234.347 0.992 20 0 BCADHN CC(C)C(=O)CCN(C[C@@H](C)O)[C@H](C)CO ZINC000808750364 586488041 /nfs/dbraw/zinc/48/80/41/586488041.db2.gz MMLDTTBWOCGCAU-GHMZBOCLSA-N 0 3 231.336 0.665 20 0 BCADHN CC(C)C(=O)CCN(C[C@H](C)O)[C@@H](C)CO ZINC000808750366 586488368 /nfs/dbraw/zinc/48/83/68/586488368.db2.gz MMLDTTBWOCGCAU-QWRGUYRKSA-N 0 3 231.336 0.665 20 0 BCADHN Cn1nncc1NC(=O)NC[C@@H]1CCCN1C ZINC000809897996 586521999 /nfs/dbraw/zinc/52/19/99/586521999.db2.gz WLVIJNAEDZESFR-QMMMGPOBSA-N 0 3 238.295 0.031 20 0 BCADHN CN(CCN(C)C1CC1)Cc1cnn(C)n1 ZINC000809979500 586528121 /nfs/dbraw/zinc/52/81/21/586528121.db2.gz XEBVKTGYCBBYKB-UHFFFAOYSA-N 0 3 223.324 0.341 20 0 BCADHN CON(C)C(=O)C1CCN(C[C@@H](C)O)CC1 ZINC000812868582 586588258 /nfs/dbraw/zinc/58/82/58/586588258.db2.gz PFSOHWLNKVPXDE-SECBINFHSA-N 0 3 230.308 0.099 20 0 BCADHN CON(C)C(=O)C1CCN(CCCO)CC1 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20 0 BCADHN CCN(C)C(=O)[C@H](C)NC[C@@H](O)C1CC1 ZINC000819258431 586944598 /nfs/dbraw/zinc/94/45/98/586944598.db2.gz MKEPBQYAHAEUSE-WCBMZHEXSA-N 0 3 214.309 0.214 20 0 BCADHN C[C@@H](NC[C@H](O)C1CC1)C1(S(C)(=O)=O)CC1 ZINC000819305623 586949764 /nfs/dbraw/zinc/94/97/64/586949764.db2.gz SIQDOZFXCMVDAC-SCZZXKLOSA-N 0 3 247.360 0.313 20 0 BCADHN CC(C)CC[C@H](O)CNCc1cnnn1C ZINC000819314977 586950757 /nfs/dbraw/zinc/95/07/57/586950757.db2.gz OVPWNUKMGNBFMB-NSHDSACASA-N 0 3 226.324 0.702 20 0 BCADHN CN(C[C@H](O)CNOC1CCC1)C1CC1 ZINC000819343550 586952013 /nfs/dbraw/zinc/95/20/13/586952013.db2.gz MUDDXAXALZAOHI-SNVBAGLBSA-N 0 3 214.309 0.515 20 0 BCADHN CON(C)C(=O)CCNCc1ccnc(C)c1 ZINC000819341461 586954493 /nfs/dbraw/zinc/95/44/93/586954493.db2.gz PPHZESXISINORS-UHFFFAOYSA-N 0 3 237.303 0.890 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1C[C@@H](OC(C)C)C1 ZINC000819360234 586957216 /nfs/dbraw/zinc/95/72/16/586957216.db2.gz KNLCUXDJSLTERY-PHIMTYICSA-N 0 3 249.376 0.967 20 0 BCADHN CCN(CCO)CCNC(=O)C(F)=C1CCC1 ZINC000819499687 586970339 /nfs/dbraw/zinc/97/03/39/586970339.db2.gz YPUCMJHBHWENAD-UHFFFAOYSA-N 0 3 244.310 0.824 20 0 BCADHN CN(C)CCONC(=O)/C=C\[C@H]1CCCO1 ZINC000819546309 586976927 /nfs/dbraw/zinc/97/69/27/586976927.db2.gz UHWMYYBGVCXXAP-WWQCOOJYSA-N 0 3 228.292 0.331 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)Cc2ccncc2)CC1 ZINC000819692166 586986746 /nfs/dbraw/zinc/98/67/46/586986746.db2.gz IUELSSIACVGGJR-UHFFFAOYSA-N 0 3 249.314 0.766 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)C3=COCC3)[C@@H]2C1 ZINC000819717510 586988543 /nfs/dbraw/zinc/98/85/43/586988543.db2.gz GYHUNGQHDVCNKH-CMPLNLGQSA-N 0 3 236.315 0.843 20 0 BCADHN COC(CN1CC[C@@H](CO)C[C@H]1C)OC ZINC000860087788 589079736 /nfs/dbraw/zinc/07/97/36/589079736.db2.gz KESRDOYODIIIQG-NXEZZACHSA-N 0 3 217.309 0.698 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1COC(=O)C1)N(CC)CC ZINC000820084854 587019756 /nfs/dbraw/zinc/01/97/56/587019756.db2.gz VVMOYWVRBHNMJF-VHSXEESVSA-N 0 3 242.319 0.539 20 0 BCADHN O=C(CN1CCCC1)NCc1cnc[nH]1 ZINC000820164585 587030539 /nfs/dbraw/zinc/03/05/39/587030539.db2.gz GRGHNSXXLGIOCS-UHFFFAOYSA-N 0 3 208.265 0.122 20 0 BCADHN CCC[C@H](O)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000820271011 587039149 /nfs/dbraw/zinc/03/91/49/587039149.db2.gz FDKLYEYOJVIANY-AXFHLTTASA-N 0 3 226.320 0.310 20 0 BCADHN CCC[C@H](O)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000820271013 587039473 /nfs/dbraw/zinc/03/94/73/587039473.db2.gz FDKLYEYOJVIANY-MXWKQRLJSA-N 0 3 226.320 0.310 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000820341775 587044193 /nfs/dbraw/zinc/04/41/93/587044193.db2.gz GSNMUKIIGUKRNA-WZRBSPASSA-N 0 3 238.331 0.576 20 0 BCADHN CC[C@](C)(O)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000820341365 587044371 /nfs/dbraw/zinc/04/43/71/587044371.db2.gz CLASDFDTTOJYFS-QWHCGFSZSA-N 0 3 240.347 0.702 20 0 BCADHN O=C1OC[C@@H]2CN(Cc3cnc[nH]3)C[C@H]12 ZINC000860165532 589084549 /nfs/dbraw/zinc/08/45/49/589084549.db2.gz XHFVCQSCPIKSLO-CBAPKCEASA-N 0 3 207.233 0.015 20 0 BCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)[N-]OCCN(C)C ZINC000820997907 587086072 /nfs/dbraw/zinc/08/60/72/587086072.db2.gz ZUWKKDNUSIFHON-NSHDSACASA-N 0 3 243.351 0.469 20 0 BCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)[N-]OCCN(C)C ZINC000820997907 587086074 /nfs/dbraw/zinc/08/60/74/587086074.db2.gz ZUWKKDNUSIFHON-NSHDSACASA-N 0 3 243.351 0.469 20 0 BCADHN Cc1ccnc(CN2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000860165530 589084975 /nfs/dbraw/zinc/08/49/75/589084975.db2.gz XCGWOJQGBQRROT-ZYHUDNBSSA-N 0 3 232.283 0.995 20 0 BCADHN Cn1nccc1CCN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166617 589085176 /nfs/dbraw/zinc/08/51/76/589085176.db2.gz OSTANMUZTVMVRX-MWLCHTKSSA-N 0 3 235.287 0.067 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000821248329 587103868 /nfs/dbraw/zinc/10/38/68/587103868.db2.gz XGOSCKFQQCMPCE-NWDGAFQWSA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1C(=O)OCC1(C)C)N(C)C ZINC000840456998 587105198 /nfs/dbraw/zinc/10/51/98/587105198.db2.gz MULFUZDZRZEIAT-DTWKUNHWSA-N 0 3 242.319 0.394 20 0 BCADHN CC1(C)OC[C@@H](CN2C[C@@H]3COC(=O)[C@@H]3C2)O1 ZINC000860167946 589085981 /nfs/dbraw/zinc/08/59/81/589085981.db2.gz NKIQAXYZODALHW-OPRDCNLKSA-N 0 3 241.287 0.243 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCNC(=O)CC2)C1 ZINC000821369497 587112534 /nfs/dbraw/zinc/11/25/34/587112534.db2.gz UZMKCSCHASZWLQ-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N1CCOC1 ZINC000821370621 587113242 /nfs/dbraw/zinc/11/32/42/587113242.db2.gz YJAXJKNRDMMOMZ-JTQLQIEISA-N 0 3 212.293 0.676 20 0 BCADHN O=C1CC[C@@H](CN2CCN(C3CCC3)CC2)O1 ZINC000821374169 587113539 /nfs/dbraw/zinc/11/35/39/587113539.db2.gz MGHWUKJCHNYJPZ-LBPRGKRZSA-N 0 3 238.331 0.862 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCN3C(=O)NC[C@H]3C2)C1 ZINC000821385857 587115149 /nfs/dbraw/zinc/11/51/49/587115149.db2.gz HHLKDOTZPCYFLF-GARJFASQSA-N 0 3 239.319 0.263 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000821385862 587115409 /nfs/dbraw/zinc/11/54/09/587115409.db2.gz HHLKDOTZPCYFLF-HBNTYKKESA-N 0 3 239.319 0.263 20 0 BCADHN c1[nH]nnc1CCN1CCCC2(C1)OCCO2 ZINC000821396462 587116323 /nfs/dbraw/zinc/11/63/23/587116323.db2.gz OIEYHZAHANKREU-UHFFFAOYSA-N 0 3 238.291 0.186 20 0 BCADHN O=C(CN1CCCC1)NCCc1ccc[nH]1 ZINC000821424610 587118991 /nfs/dbraw/zinc/11/89/91/587118991.db2.gz LOZDKGYQNBYNOS-UHFFFAOYSA-N 0 3 221.304 0.769 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CN1CCCC1 ZINC000821480438 587121839 /nfs/dbraw/zinc/12/18/39/587121839.db2.gz IPOUIIPOQWTNRW-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN COCC[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000821690985 587134858 /nfs/dbraw/zinc/13/48/58/587134858.db2.gz DCOOTISGMFESBT-UHFFFAOYSA-N 0 3 239.304 0.664 20 0 BCADHN C[C@@H](O)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000821797931 587138795 /nfs/dbraw/zinc/13/87/95/587138795.db2.gz UIVNNXDGNQIFRD-MNOVXSKESA-N 0 3 226.320 0.312 20 0 BCADHN CN(C)CCCNC(=O)c1cc(C=O)cn1C ZINC000822149021 587156674 /nfs/dbraw/zinc/15/66/74/587156674.db2.gz VMBBZRCOGUDOQU-UHFFFAOYSA-N 0 3 237.303 0.519 20 0 BCADHN COC/C=C\C(=O)NCCN1CCCC1 ZINC000822236759 587158658 /nfs/dbraw/zinc/15/86/58/587158658.db2.gz ORWXZSNYIVEJDH-PLNGDYQASA-N 0 3 212.293 0.401 20 0 BCADHN CN(CCCCO)C(=O)CN1CCCC1 ZINC000822348057 587163809 /nfs/dbraw/zinc/16/38/09/587163809.db2.gz HXCCLMGRITTWLK-UHFFFAOYSA-N 0 3 214.309 0.313 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCC=CO1)N(C)C ZINC000822456571 587168878 /nfs/dbraw/zinc/16/88/78/587168878.db2.gz AUYNIZAFOGSRMD-ZJUUUORDSA-N 0 3 212.293 0.745 20 0 BCADHN CS[C@@H]1CC[C@@H]1NC[C@H](O)c1cnn(C)c1 ZINC000822462723 587169148 /nfs/dbraw/zinc/16/91/48/587169148.db2.gz BKADBXSTPAKGGH-GARJFASQSA-N 0 3 241.360 0.937 20 0 BCADHN CCCCC[C@@H](O)C(=O)NC[C@H](C)N(C)C ZINC000822460585 587169381 /nfs/dbraw/zinc/16/93/81/587169381.db2.gz IWWAUCGERRGTNB-WDEREUQCSA-N 0 3 230.352 0.994 20 0 BCADHN CS[C@@H]1CC[C@H]1NC[C@H](O)c1cnn(C)c1 ZINC000822462727 587169638 /nfs/dbraw/zinc/16/96/38/587169638.db2.gz BKADBXSTPAKGGH-OUAUKWLOSA-N 0 3 241.360 0.937 20 0 BCADHN CNC(=O)C1(NCC[C@H](C)O)CCCC1 ZINC000822746808 587182410 /nfs/dbraw/zinc/18/24/10/587182410.db2.gz NESXFDFLIOMSFB-VIFPVBQESA-N 0 3 214.309 0.406 20 0 BCADHN CC(C)(C)N1CC[C@@H](N[C@H](CO)C2CC2)C1=O ZINC000822846213 587189479 /nfs/dbraw/zinc/18/94/79/587189479.db2.gz ZPCOKRUANZGDTO-GHMZBOCLSA-N 0 3 240.347 0.746 20 0 BCADHN CN(C)C1(CNC(=O)/C=C/c2cn(C)cn2)CC1 ZINC000822931421 587193965 /nfs/dbraw/zinc/19/39/65/587193965.db2.gz MRLPZQQMFOXZOY-SNAWJCMRSA-N 0 3 248.330 0.644 20 0 BCADHN C[C@@H](O)CCNC(C)(C)C(=O)N1CCCC1 ZINC000822996132 587197336 /nfs/dbraw/zinc/19/73/36/587197336.db2.gz HNIRZSRLSUUVSC-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@@](C)(O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000823132331 587204494 /nfs/dbraw/zinc/20/44/94/587204494.db2.gz CTVHHCGMLCXJMG-CMPLNLGQSA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@@](C)(O)C(=O)N(C)C[C@H]1CCCN1C ZINC000823132334 587204526 /nfs/dbraw/zinc/20/45/26/587204526.db2.gz CTVHHCGMLCXJMG-ZYHUDNBSSA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@H]1CN(C)CCN1C(=O)CN1CCCC1 ZINC000823199157 587208002 /nfs/dbraw/zinc/20/80/02/587208002.db2.gz YSLHHCDEXQKOPK-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CC(C)O[N-]C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000823302080 587215088 /nfs/dbraw/zinc/21/50/88/587215088.db2.gz KHJSWNMEKOLMQV-VIFPVBQESA-N 0 3 200.282 0.784 20 0 BCADHN CC(C)O[N-]C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000823302080 587215089 /nfs/dbraw/zinc/21/50/89/587215089.db2.gz KHJSWNMEKOLMQV-VIFPVBQESA-N 0 3 200.282 0.784 20 0 BCADHN C(OCC1CC1)c1nc(N2CCNCC2)no1 ZINC000823347921 587217361 /nfs/dbraw/zinc/21/73/61/587217361.db2.gz YKAHZBPBXOCXMP-UHFFFAOYSA-N 0 3 238.291 0.406 20 0 BCADHN CC(C)[C@@H](CO)O[N-]C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000823381311 587218988 /nfs/dbraw/zinc/21/89/88/587218988.db2.gz OLAXKSFCJGFVQP-GHMZBOCLSA-N 0 3 244.335 0.393 20 0 BCADHN CC(C)[C@@H](CO)O[N-]C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000823381311 587218990 /nfs/dbraw/zinc/21/89/90/587218990.db2.gz OLAXKSFCJGFVQP-GHMZBOCLSA-N 0 3 244.335 0.393 20 0 BCADHN O[C@@H](CN1CCC[C@H](n2ccnn2)C1)C1CC1 ZINC000823468922 587224304 /nfs/dbraw/zinc/22/43/04/587224304.db2.gz LNWBWGGJZYTZMI-RYUDHWBXSA-N 0 3 236.319 0.686 20 0 BCADHN COC(CN1CCC[C@H](n2ccnn2)C1)OC ZINC000823469026 587224686 /nfs/dbraw/zinc/22/46/86/587224686.db2.gz NRDRONJVORKJRQ-JTQLQIEISA-N 0 3 240.307 0.534 20 0 BCADHN O[C@H](CN1CCC[C@@H](n2ccnn2)C1)C1CC1 ZINC000823468923 587224718 /nfs/dbraw/zinc/22/47/18/587224718.db2.gz LNWBWGGJZYTZMI-VXGBXAGGSA-N 0 3 236.319 0.686 20 0 BCADHN CCN(CC)CCOC(=O)c1cccnn1 ZINC000860263392 589091317 /nfs/dbraw/zinc/09/13/17/589091317.db2.gz QPCPYERESBVLQJ-UHFFFAOYSA-N 0 3 223.276 0.975 20 0 BCADHN CN(C)C1(CNC(=O)CN2CCCC2)CC1 ZINC000823689576 587236353 /nfs/dbraw/zinc/23/63/53/587236353.db2.gz LAIIHDOEUHQBEJ-UHFFFAOYSA-N 0 3 225.336 0.293 20 0 BCADHN CCn1nc(C)c(CNCCN2CCCC2)n1 ZINC000824080860 587251613 /nfs/dbraw/zinc/25/16/13/587251613.db2.gz NLSFJAIILWRSMG-UHFFFAOYSA-N 0 3 237.351 0.792 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H](CO)CCF ZINC000824053118 587252230 /nfs/dbraw/zinc/25/22/30/587252230.db2.gz OWHBMJMHRIWMOK-GHMZBOCLSA-N 0 3 246.326 0.696 20 0 BCADHN CN(C)C1(C(=O)N2CCO[C@H](CF)C2)CCC1 ZINC000840485131 587259108 /nfs/dbraw/zinc/25/91/08/587259108.db2.gz ZLZSRASXMHOVQH-SNVBAGLBSA-N 0 3 244.310 0.668 20 0 BCADHN C[C@H](CCO)N(C)C(=O)CN1CCCC1 ZINC000824247232 587263040 /nfs/dbraw/zinc/26/30/40/587263040.db2.gz RJQWFBTVMKOVKP-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN CON(C)CCCNC(=O)[C@H](C(C)C)N(C)C ZINC000824530536 587273663 /nfs/dbraw/zinc/27/36/63/587273663.db2.gz BEOKGPWXUHSGGT-NSHDSACASA-N 0 3 245.367 0.572 20 0 BCADHN O=C(CCCF)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000824734050 587284882 /nfs/dbraw/zinc/28/48/82/587284882.db2.gz UZGGGMAIHAJFJZ-GHMZBOCLSA-N 0 3 244.310 0.716 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)CN2CCCC2)CCN1 ZINC000824778602 587286812 /nfs/dbraw/zinc/28/68/12/587286812.db2.gz LGRMQMQNAPWEMM-LBPRGKRZSA-N 0 3 239.363 0.539 20 0 BCADHN Cc1cc(CN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(C)o1 ZINC000824892728 587292034 /nfs/dbraw/zinc/29/20/34/587292034.db2.gz AKARAATZUAOYPV-PHIMTYICSA-N 0 3 248.282 0.601 20 0 BCADHN COc1cncc(CNC2(CC(N)=O)CCC2)c1 ZINC000825543351 587324367 /nfs/dbraw/zinc/32/43/67/587324367.db2.gz UPQFPRKZUSCPBV-UHFFFAOYSA-N 0 3 249.314 0.978 20 0 BCADHN C[C@H](N)C(=O)NC[C@H]1COc2ccccc2C1 ZINC000825994093 587347970 /nfs/dbraw/zinc/34/79/70/587347970.db2.gz GRFPOZRLQBTRJA-UWVGGRQHSA-N 0 3 234.299 0.701 20 0 BCADHN O=C(Nn1cnc2ccccc21)[C@H]1CCN1 ZINC000826002585 587348161 /nfs/dbraw/zinc/34/81/61/587348161.db2.gz ZDPFZXGWZKEKSV-SECBINFHSA-N 0 3 216.244 0.468 20 0 BCADHN C[NH2+]C(C)(C)CNc1ncccc1-c1nnn[n-]1 ZINC000826073053 587350382 /nfs/dbraw/zinc/35/03/82/587350382.db2.gz BWJZWGDYRGLKOP-UHFFFAOYSA-N 0 3 247.306 0.672 20 0 BCADHN C[NH2+]C(C)(C)CNc1ncccc1-c1nn[n-]n1 ZINC000826073053 587350383 /nfs/dbraw/zinc/35/03/83/587350383.db2.gz BWJZWGDYRGLKOP-UHFFFAOYSA-N 0 3 247.306 0.672 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2cncc(OC)c2)C1 ZINC000826130490 587351315 /nfs/dbraw/zinc/35/13/15/587351315.db2.gz IYAYQYLWRZXTMC-LLVKDONJSA-N 0 3 249.314 0.658 20 0 BCADHN CN1CCC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000826600027 587356357 /nfs/dbraw/zinc/35/63/57/587356357.db2.gz OFTUOYBTRBCYSF-VIFPVBQESA-N 0 3 222.292 0.163 20 0 BCADHN CC[C@](C)(O)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000826762145 587361478 /nfs/dbraw/zinc/36/14/78/587361478.db2.gz DNCRKXLMBBLAAP-JQWIXIFHSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1ccncc1CCCN[C@H]1CCNC1=O ZINC000826774516 587361765 /nfs/dbraw/zinc/36/17/65/587361765.db2.gz VIJXQSDDLSOZIP-LBPRGKRZSA-N 0 3 233.315 0.801 20 0 BCADHN CCCCC[C@@H](O)C(=O)N(C)CCN(C)C ZINC000826771971 587361892 /nfs/dbraw/zinc/36/18/92/587361892.db2.gz VNKVQCLRZTZTIC-LLVKDONJSA-N 0 3 230.352 0.948 20 0 BCADHN C[C@H](Cn1cccn1)NC(=O)[C@@]1(F)CCNC1 ZINC000826935452 587366176 /nfs/dbraw/zinc/36/61/76/587366176.db2.gz ZZUGRXDDCNHFHW-MWLCHTKSSA-N 0 3 240.282 0.089 20 0 BCADHN C[C@@H](Cn1cccn1)NC(=O)[C@@]1(F)CCNC1 ZINC000826935446 587366222 /nfs/dbraw/zinc/36/62/22/587366222.db2.gz ZZUGRXDDCNHFHW-GXSJLCMTSA-N 0 3 240.282 0.089 20 0 BCADHN CC1(CC(=O)N2CC[C@@H](N3CCC3)C2)COC1 ZINC000826948558 587366469 /nfs/dbraw/zinc/36/64/69/587366469.db2.gz AGRMVZDCXKPJCB-LLVKDONJSA-N 0 3 238.331 0.720 20 0 BCADHN CCn1cc(C(=O)NC[C@H]2CCCN2C)nn1 ZINC000827136092 587370607 /nfs/dbraw/zinc/37/06/07/587370607.db2.gz MIRHVOZZZJSPBO-SECBINFHSA-N 0 3 237.307 0.122 20 0 BCADHN C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CCCN1C ZINC000827136836 587370644 /nfs/dbraw/zinc/37/06/44/587370644.db2.gz SKLUZFFOSYZNHS-AXFHLTTASA-N 0 3 242.319 0.001 20 0 BCADHN C[C@H](NC1CC1)C(=O)Nc1c[nH]ccc1=O ZINC000827154984 587371679 /nfs/dbraw/zinc/37/16/79/587371679.db2.gz LXNSKHMMZCTIJI-ZETCQYMHSA-N 0 3 221.260 0.454 20 0 BCADHN CN1CC[C@H]2CN(C(=O)C3CC(=O)C3)CC[C@H]21 ZINC000827291496 587375708 /nfs/dbraw/zinc/37/57/08/587375708.db2.gz WSOXQAURMQUWJF-JOYOIKCWSA-N 0 3 236.315 0.518 20 0 BCADHN O=C(Nc1ncccc1CO)C12CCN(CC1)C2 ZINC000827308515 587376422 /nfs/dbraw/zinc/37/64/22/587376422.db2.gz LBWOOEIDZBLMFJ-UHFFFAOYSA-N 0 3 247.298 0.608 20 0 BCADHN COC(=O)N(C)CCN(C)CC1=CCCOC1 ZINC000827341091 587377602 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242.319 0.843 20 0 BCADHN CC[C@H](N)C(=O)NCC(=O)OC1CCCCC1 ZINC000831016269 587582918 /nfs/dbraw/zinc/58/29/18/587582918.db2.gz HJIJMOZXZUEASX-JTQLQIEISA-N 0 3 242.319 0.716 20 0 BCADHN O=C(N1CC[C@@]2(CCOC2)C1)[C@]1(F)CCNC1 ZINC000831217539 587592691 /nfs/dbraw/zinc/59/26/91/587592691.db2.gz BITDRAWZLYGQBO-NEPJUHHUSA-N 0 3 242.294 0.327 20 0 BCADHN CC[C@@H](C[C@@H](C)O)NC(=O)CN(CC)CC ZINC000831257493 587594264 /nfs/dbraw/zinc/59/42/64/587594264.db2.gz BCVJHRBPYSKEOS-MNOVXSKESA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@H](C[C@@H](C)O)NC(=O)CN(C)C(C)C ZINC000831261998 587594553 /nfs/dbraw/zinc/59/45/53/587594553.db2.gz WIYYNCAOZKVNME-GHMZBOCLSA-N 0 3 230.352 0.992 20 0 BCADHN Cc1c[nH]c(NC(=O)[C@@]2(F)CCNC2)n1 ZINC000831318393 587598348 /nfs/dbraw/zinc/59/83/48/587598348.db2.gz RYHRBIIBOPDCSK-SECBINFHSA-N 0 3 212.228 0.358 20 0 BCADHN CC(C(=O)NCCC1CC=CC1)S(C)(=O)=O ZINC000831450173 587607970 /nfs/dbraw/zinc/60/79/70/587607970.db2.gz WYMWXIOOHVVOQX-SECBINFHSA-N 0 3 245.344 0.892 20 0 BCADHN C[C@@H](NC(=O)[C@]1(F)CCNC1)c1cn[nH]c1 ZINC000831461280 587610078 /nfs/dbraw/zinc/61/00/78/587610078.db2.gz JIYJJNJDOWIWCP-XCBNKYQSSA-N 0 3 226.255 0.289 20 0 BCADHN Cc1c(CNC(=O)[C@@]2(F)CCNC2)cnn1C ZINC000831466243 587610971 /nfs/dbraw/zinc/61/09/71/587610971.db2.gz SGLCOTNVXQWXKD-LLVKDONJSA-N 0 3 240.282 0.046 20 0 BCADHN CCON(CC)C(=O)[C@H]1CN2CCN1CCC2 ZINC000831470630 587611632 /nfs/dbraw/zinc/61/16/32/587611632.db2.gz DNTMYSLISCMLKQ-LLVKDONJSA-N 0 3 241.335 0.176 20 0 BCADHN COc1ccnc(NC(=O)[C@]2(F)CCNC2)c1 ZINC000831469650 587611648 /nfs/dbraw/zinc/61/16/48/587611648.db2.gz AOKLDQQENAOZPT-NSHDSACASA-N 0 3 239.250 0.730 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@]2(F)CCNC2)CCO1 ZINC000831502271 587614791 /nfs/dbraw/zinc/61/47/91/587614791.db2.gz KFHPHRGCNNREFY-FXPVBKGRSA-N 0 3 230.283 0.372 20 0 BCADHN COC(=O)[C@@H]1CCCC[C@@H]1NCC1OCCO1 ZINC000831674860 587626991 /nfs/dbraw/zinc/62/69/91/587626991.db2.gz RDQAJBOZPUNPGB-ZJUUUORDSA-N 0 3 243.303 0.681 20 0 BCADHN CCO[C@H](CNC(=O)[C@@H](C)N(C)C)CN(C)C ZINC000831703433 587628255 /nfs/dbraw/zinc/62/82/55/587628255.db2.gz UDKDCMFCLLTYIL-GHMZBOCLSA-N 0 3 245.367 0.019 20 0 BCADHN CCO[C@@H](CNC(=O)[C@H](CC)CO)CN(C)C ZINC000831708940 587628598 /nfs/dbraw/zinc/62/85/98/587628598.db2.gz VOWLFMYXJACYQZ-MNOVXSKESA-N 0 3 246.351 0.088 20 0 BCADHN CCO[C@@H](CNC(=O)CC(C)(C)O)CN(C)C ZINC000831724754 587628914 /nfs/dbraw/zinc/62/89/14/587628914.db2.gz RXTRPRRLTGXZKV-JTQLQIEISA-N 0 3 246.351 0.230 20 0 BCADHN CCO[C@@H](CNC(=O)c1cnc[nH]1)CN(C)C ZINC000831752105 587629536 /nfs/dbraw/zinc/62/95/36/587629536.db2.gz VAVYZSZVJCQOLI-VIFPVBQESA-N 0 3 240.307 0.106 20 0 BCADHN CCO[C@H](CNC(=O)[C@@H](CC)OC)CN(C)C ZINC000831751374 587629628 /nfs/dbraw/zinc/62/96/28/587629628.db2.gz JLKIIRDNEZACQU-GHMZBOCLSA-N 0 3 246.351 0.494 20 0 BCADHN CCO[C@@H](CNC(=O)/C=C\SC)CN(C)C ZINC000831737634 587629872 /nfs/dbraw/zinc/62/98/72/587629872.db2.gz JOPAGZQRKNVTAS-GFVADAIESA-N 0 3 246.376 0.946 20 0 BCADHN CCO[C@@H](CNC(=O)[C@H](C)OC)CN(C)C ZINC000831756386 587630112 /nfs/dbraw/zinc/63/01/12/587630112.db2.gz HPUOIIDUXCWXFP-UWVGGRQHSA-N 0 3 232.324 0.104 20 0 BCADHN CCO[C@H](CNC(=O)[C@@H]1CCOC1)CN(C)C ZINC000831758566 587630139 /nfs/dbraw/zinc/63/01/39/587630139.db2.gz ZLRPPTGHYRZXJQ-GHMZBOCLSA-N 0 3 244.335 0.106 20 0 BCADHN CCCOCC(=O)NC[C@H](CN(C)C)OCC ZINC000831757312 587630207 /nfs/dbraw/zinc/63/02/07/587630207.db2.gz OWOKABJEKFPDDH-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN CCO[C@H](CNC(=O)[C@H](C)SC)CN(C)C ZINC000831757973 587630303 /nfs/dbraw/zinc/63/03/03/587630303.db2.gz UDFMTERNJCWMPD-VHSXEESVSA-N 0 3 248.392 0.821 20 0 BCADHN CCO[C@@H](CNC(=O)[C@@H](C)OC)CN(C)C ZINC000831756388 587630389 /nfs/dbraw/zinc/63/03/89/587630389.db2.gz HPUOIIDUXCWXFP-ZJUUUORDSA-N 0 3 232.324 0.104 20 0 BCADHN CCO[C@@H](CNC(=O)[C@H](C)SC)CN(C)C ZINC000831757971 587630452 /nfs/dbraw/zinc/63/04/52/587630452.db2.gz UDFMTERNJCWMPD-UWVGGRQHSA-N 0 3 248.392 0.821 20 0 BCADHN CCO[C@@H](CNC(=O)C1CCC1)CN(C)C ZINC000831777160 587631222 /nfs/dbraw/zinc/63/12/22/587631222.db2.gz SDKNLNJYZZVPRH-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CCO[C@@H](CNC(=O)[C@@](C)(O)CC)CN(C)C ZINC000831781024 587631553 /nfs/dbraw/zinc/63/15/53/587631553.db2.gz FPJKBWIKZIARCZ-JQWIXIFHSA-N 0 3 246.351 0.230 20 0 BCADHN CCO[C@H](CNC(=O)[C@@H]1C[C@@H]1C)CN(C)C ZINC000831777119 587631635 /nfs/dbraw/zinc/63/16/35/587631635.db2.gz RBKNSVCUDGXTOA-HBNTYKKESA-N 0 3 228.336 0.725 20 0 BCADHN CCCC(=O)NC[C@@H](CN(C)C)OCC ZINC000831776802 587631650 /nfs/dbraw/zinc/63/16/50/587631650.db2.gz MOCMFOVSXKRDAD-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN C[C@H](CNC(=O)c1ccc(N)cc1[O-])[NH+](C)C ZINC000831870718 587635355 /nfs/dbraw/zinc/63/53/55/587635355.db2.gz BNNKJKCWRGJHOA-MRVPVSSYSA-N 0 3 237.303 0.654 20 0 BCADHN Cc1c(NC(=O)[C@@H](C)N)n[nH]c1C1CC1 ZINC000831876474 587635358 /nfs/dbraw/zinc/63/53/58/587635358.db2.gz ZJPRAOSNUNTFBQ-ZCFIWIBFSA-N 0 3 208.265 0.881 20 0 BCADHN NC(=O)NC(=O)CN1CCCCCCCC1 ZINC000831925875 587636684 /nfs/dbraw/zinc/63/66/84/587636684.db2.gz DTZUJTVAQWENAK-UHFFFAOYSA-N 0 3 227.308 0.838 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)N)[C@@H](O)c1ccc(F)cc1 ZINC000831921043 587636826 /nfs/dbraw/zinc/63/68/26/587636826.db2.gz HENAMRMMLUJBSJ-VAOFZXAKSA-N 0 3 240.278 0.711 20 0 BCADHN CNCC(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1 ZINC000831921120 587637111 /nfs/dbraw/zinc/63/71/11/587637111.db2.gz HONGKXLHFJKREB-PELKAZGASA-N 0 3 240.278 0.583 20 0 BCADHN CO[C@H]1CCCC[C@@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000831938951 587637352 /nfs/dbraw/zinc/63/73/52/587637352.db2.gz GWBJCSWQLDERGS-JBLDHEPKSA-N 0 3 244.310 0.762 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CC[C@H]1C ZINC000831975495 587641470 /nfs/dbraw/zinc/64/14/70/587641470.db2.gz NLXXWUNHWJADEH-FOGDFJRCSA-N 0 3 244.310 0.571 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000832166789 587645435 /nfs/dbraw/zinc/64/54/35/587645435.db2.gz RRDXWCVZVAIMIH-QXFUBDJGSA-N 0 3 218.272 0.228 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)[C@@H](O)c1cccc(F)c1 ZINC000832120371 587645650 /nfs/dbraw/zinc/64/56/50/587645650.db2.gz CATMBVCPIONZBQ-DKCNOQQISA-N 0 3 240.278 0.711 20 0 BCADHN O=C(NCC(F)(F)C(F)F)[C@]1(F)CCNC1 ZINC000832172797 587648122 /nfs/dbraw/zinc/64/81/22/587648122.db2.gz JMHHQYQASFLSNB-ZETCQYMHSA-N 0 3 246.179 0.705 20 0 BCADHN N[C@@H](C(=O)NCCOC(=O)C1CC1)C1CCC1 ZINC000832182255 587648541 /nfs/dbraw/zinc/64/85/41/587648541.db2.gz FVUOPTMEERTIJO-SNVBAGLBSA-N 0 3 240.303 0.183 20 0 BCADHN CCC[C@@H](O)CCNC(=O)CN(C)C(C)C ZINC000832639095 587671561 /nfs/dbraw/zinc/67/15/61/587671561.db2.gz YUDXYLWFUGLQBH-LLVKDONJSA-N 0 3 230.352 0.994 20 0 BCADHN CC(C)=CC(=O)NC[C@@H]1CCCCN1CCO ZINC000833565241 587720618 /nfs/dbraw/zinc/72/06/18/587720618.db2.gz ADHUQGGBKAKCOC-LBPRGKRZSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@@H](CC(=O)N1CCN(C)C[C@@H]1CN)C1CC1 ZINC000834299739 587750707 /nfs/dbraw/zinc/75/07/07/587750707.db2.gz ZAOYZWQSYTYCLX-JQWIXIFHSA-N 0 3 239.363 0.524 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)C3=COCCO3)C[C@@H]21 ZINC000834314555 587751235 /nfs/dbraw/zinc/75/12/35/587751235.db2.gz JMCSSUIDUBFWFP-ZJUUUORDSA-N 0 3 238.287 0.037 20 0 BCADHN C[NH2+]CCN(C)C(=O)c1ccc(N)cc1[O-] ZINC000834416421 587754729 /nfs/dbraw/zinc/75/47/29/587754729.db2.gz KONTZFBMHWLGRS-UHFFFAOYSA-N 0 3 223.276 0.266 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CNCCC1(F)F ZINC000834840036 587768318 /nfs/dbraw/zinc/76/83/18/587768318.db2.gz AYTXFKIEJJUETE-CSMHCCOUSA-N 0 3 218.247 0.756 20 0 BCADHN CO[C@H](C)CC(=O)N[C@@H]1CNCCC1(F)F ZINC000834846241 587768563 /nfs/dbraw/zinc/76/85/63/587768563.db2.gz PWBOXKPAJQOUOH-HTQZYQBOSA-N 0 3 236.262 0.525 20 0 BCADHN COCCN(C)CCNC(=O)O[C@@H](C)COC ZINC000867146775 587820535 /nfs/dbraw/zinc/82/05/35/587820535.db2.gz ZIOHRPBMYMLFCI-JTQLQIEISA-N 0 3 248.323 0.326 20 0 BCADHN O=C(Nn1cnnc1)C1CN(C2CCCCC2)C1 ZINC000837510572 587878944 /nfs/dbraw/zinc/87/89/44/587878944.db2.gz LTJCNCOIRRRLAF-UHFFFAOYSA-N 0 3 249.318 0.613 20 0 BCADHN CCC(=O)[C@H](C)OC(=O)C1CCCN(C)C1=O ZINC000837955855 587905794 /nfs/dbraw/zinc/90/57/94/587905794.db2.gz JIHJBPCACYUISE-IUCAKERBSA-N 0 3 241.287 0.766 20 0 BCADHN CN1CCC(NC(=S)N2CC[C@@H](F)C2)CC1 ZINC000840778435 587921556 /nfs/dbraw/zinc/92/15/56/587921556.db2.gz BOIQHEQXCHLHQC-SECBINFHSA-N 0 3 245.367 0.999 20 0 BCADHN COCCNC(=O)C1(N[C@@H]2CC[C@@H]2C)CC1 ZINC000840822456 587923274 /nfs/dbraw/zinc/92/32/74/587923274.db2.gz NTCWTJZPVWGXNY-VHSXEESVSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H]1C[C@@H](NC(=S)NCCN(C)C)CS1 ZINC000840860078 587926193 /nfs/dbraw/zinc/92/61/93/587926193.db2.gz YLGKWYWKNGJQNU-RKDXNWHRSA-N 0 3 247.433 0.906 20 0 BCADHN COC(C)(C)[C@H](C)NCCS(=O)(=O)C1CC1 ZINC000840878108 587927423 /nfs/dbraw/zinc/92/74/23/587927423.db2.gz APAZNCVGOAEOMA-VIFPVBQESA-N 0 3 249.376 0.967 20 0 BCADHN CN(C)C1(CNC(=O)[C@H](O)C(C)(C)C)CC1 ZINC000841455710 587955900 /nfs/dbraw/zinc/95/59/00/587955900.db2.gz ZIRSRHDBCKWUDV-VIFPVBQESA-N 0 3 228.336 0.604 20 0 BCADHN Nc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)c([O-])c1 ZINC000841846643 587977524 /nfs/dbraw/zinc/97/75/24/587977524.db2.gz RJHMCLCCRBOHIN-VIFPVBQESA-N 0 3 235.287 0.456 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc(N)cc1O ZINC000841850245 587977984 /nfs/dbraw/zinc/97/79/84/587977984.db2.gz GIYPXUWDCKABBQ-DTWKUNHWSA-N 0 3 249.314 0.797 20 0 BCADHN C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CNCCO2)C1 ZINC000841883794 587980697 /nfs/dbraw/zinc/98/06/97/587980697.db2.gz GUSZXESDFZZEIV-GMTAPVOTSA-N 0 3 241.335 0.463 20 0 BCADHN CSCCONC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000841889883 587981535 /nfs/dbraw/zinc/98/15/35/587981535.db2.gz HNDZXLQDTQVAIC-IUCAKERBSA-N 0 3 247.364 0.673 20 0 BCADHN CC[C@H](C)CONC(=O)NCCNCCOC ZINC000841909774 587984004 /nfs/dbraw/zinc/98/40/04/587984004.db2.gz FLLXXLWNZGRFRJ-JTQLQIEISA-N 0 3 247.339 0.499 20 0 BCADHN CC(C)ONC(=O)N[C@@H]1CNCCC1(F)F ZINC000842002972 587988568 /nfs/dbraw/zinc/98/85/68/587988568.db2.gz HMMFOGGFNOVGMW-SSDOTTSWSA-N 0 3 237.250 0.623 20 0 BCADHN CON(C)C(=O)CN1C[C@H](C)[C@@H](C)[C@H]1C ZINC000842166358 588005793 /nfs/dbraw/zinc/00/57/93/588005793.db2.gz KSGBJUVQMSKEKC-IVZWLZJFSA-N 0 3 214.309 0.983 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1cc2ccccc2[nH]1 ZINC000842225099 588007710 /nfs/dbraw/zinc/00/77/10/588007710.db2.gz IIFVRMQDMUZESO-NOZJJQNGSA-N 0 3 234.299 0.999 20 0 BCADHN CCCCC[C@@H](C)NC(=O)C(=O)N[C@@H](C)CN ZINC000842221093 588007774 /nfs/dbraw/zinc/00/77/74/588007774.db2.gz PEFVAMUJOCRDMM-ZJUUUORDSA-N 0 3 243.351 0.535 20 0 BCADHN C[C@@H]1C[C@@H](NCCS(=O)(=O)CC2CC2)CO1 ZINC000842691338 588052764 /nfs/dbraw/zinc/05/27/64/588052764.db2.gz GKPHZKSJPBGWAD-MWLCHTKSSA-N 0 3 247.360 0.578 20 0 BCADHN C[C@@H]1C[C@@H](NCC2(C)OCCCO2)CO1 ZINC000842701390 588053921 /nfs/dbraw/zinc/05/39/21/588053921.db2.gz DZMSQZYUSVUEQM-NXEZZACHSA-N 0 3 215.293 0.907 20 0 BCADHN CC[C@@H]1C[C@@H](NCC(=O)N(CC)OC)CCO1 ZINC000842769160 588061271 /nfs/dbraw/zinc/06/12/71/588061271.db2.gz KFNOCKBHUUIQJE-WDEREUQCSA-N 0 3 244.335 0.944 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CCC[C@@H](OC)C1 ZINC000842769213 588061613 /nfs/dbraw/zinc/06/16/13/588061613.db2.gz MFONDULYOWGIMI-WDEREUQCSA-N 0 3 244.335 0.944 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)COC(C)C ZINC000842768964 588061616 /nfs/dbraw/zinc/06/16/16/588061616.db2.gz HAZUBCWMMQHHJH-SNVBAGLBSA-N 0 3 232.324 0.799 20 0 BCADHN CC[C@@H](C)[C@H](O)CNCCS(=O)(=O)CC ZINC000843073084 588076598 /nfs/dbraw/zinc/07/65/98/588076598.db2.gz FYILWDNOTKHZLT-NXEZZACHSA-N 0 3 237.365 0.418 20 0 BCADHN CC[C@H](C)[C@H](O)CNCCS(=O)(=O)CC ZINC000843073087 588076927 /nfs/dbraw/zinc/07/69/27/588076927.db2.gz FYILWDNOTKHZLT-VHSXEESVSA-N 0 3 237.365 0.418 20 0 BCADHN O[C@H](CNC[C@@H](O)C1CC1)c1ccc(F)cn1 ZINC000843070346 588079151 /nfs/dbraw/zinc/07/91/51/588079151.db2.gz ALDFHQSLXOTTBH-VXGBXAGGSA-N 0 3 240.278 0.615 20 0 BCADHN CC[C@@H](C)C[C@H](CO)NCCS(C)(=O)=O ZINC000843076051 588079788 /nfs/dbraw/zinc/07/97/88/588079788.db2.gz DGTIJBQNYHKJCP-NXEZZACHSA-N 0 3 237.365 0.418 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1CCC[C@H](CO)C1 ZINC000843080086 588080230 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0.645 20 0 BCADHN C[C@H](CNC(=O)c1cnc2cccnn21)N(C)C ZINC000845184567 588223323 /nfs/dbraw/zinc/22/33/23/588223323.db2.gz OPHNWHMSIZUUMV-SECBINFHSA-N 0 3 247.302 0.409 20 0 BCADHN COC/C(C)=C\C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000845291133 588226117 /nfs/dbraw/zinc/22/61/17/588226117.db2.gz PPAVAQWDZNZHPT-BRNRAETOSA-N 0 3 238.331 0.932 20 0 BCADHN COC/C(C)=C\C(=O)NC[C@H]1CCCN1C ZINC000845508700 588231470 /nfs/dbraw/zinc/23/14/70/588231470.db2.gz XVDQQJUGTIMODC-ZJRUKIMVSA-N 0 3 226.320 0.790 20 0 BCADHN COC/C(C)=C\C(=O)N1CCN2CCC1CC2 ZINC000845997781 588253070 /nfs/dbraw/zinc/25/30/70/588253070.db2.gz QOZHRPQSIHOMAC-LUAWRHEFSA-N 0 3 238.331 0.886 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CO[C@H](C)C1 ZINC000846064642 588254439 /nfs/dbraw/zinc/25/44/39/588254439.db2.gz SYICMCSPDAZMPJ-RKDXNWHRSA-N 0 3 216.281 0.163 20 0 BCADHN CCON(C)C(=O)CN[C@H]1COC(C)(C)C1 ZINC000846062354 588254926 /nfs/dbraw/zinc/25/49/26/588254926.db2.gz FKFPVERBMKYZJO-SECBINFHSA-N 0 3 230.308 0.553 20 0 BCADHN COC/C(C)=C/C(=O)NOCCN(C)C ZINC000846231553 588259904 /nfs/dbraw/zinc/25/99/04/588259904.db2.gz HXTNMYQUZRLYEW-VQHVLOKHSA-N 0 3 216.281 0.189 20 0 BCADHN CC/C=C(\F)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000867417621 588264871 /nfs/dbraw/zinc/26/48/71/588264871.db2.gz CCPRPLDWYFCKRO-NJHLSQGMSA-N 0 3 230.283 0.433 20 0 BCADHN CN1CCC(ONC(=O)c2cn[nH]c2)CC1 ZINC000846647365 588280668 /nfs/dbraw/zinc/28/06/68/588280668.db2.gz RWYHCFNDSLTLHG-UHFFFAOYSA-N 0 3 224.264 0.165 20 0 BCADHN CN1CCC(ONC(=O)c2cc(F)c[nH]2)CC1 ZINC000846648991 588280902 /nfs/dbraw/zinc/28/09/02/588280902.db2.gz BSFGNVYOOFZYQW-UHFFFAOYSA-N 0 3 241.266 0.909 20 0 BCADHN CN1CCC(ONC(=O)c2ccsn2)CC1 ZINC000846651881 588280998 /nfs/dbraw/zinc/28/09/98/588280998.db2.gz ZFBCCHIORPGAIJ-UHFFFAOYSA-N 0 3 241.316 0.899 20 0 BCADHN CCNCC(=O)N[C@@H](CC)[C@@H]1CCCO1 ZINC000846684588 588282684 /nfs/dbraw/zinc/28/26/84/588282684.db2.gz NFLJCJRQOQTUDG-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN CCNCC(=O)N[C@@H](CC)[C@H]1CCCO1 ZINC000846684589 588282458 /nfs/dbraw/zinc/28/24/58/588282458.db2.gz NFLJCJRQOQTUDG-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN CCNCC(=O)NC[C@@](C)(O)c1ccsc1 ZINC000846684499 588282555 /nfs/dbraw/zinc/28/25/55/588282555.db2.gz RNWFMXDBQTYVPL-LLVKDONJSA-N 0 3 242.344 0.681 20 0 BCADHN C[C@](O)(CNC(=O)CN)c1ccsc1 ZINC000846684361 588282608 /nfs/dbraw/zinc/28/26/08/588282608.db2.gz QXRPMTHYNSAXOR-VIFPVBQESA-N 0 3 214.290 0.031 20 0 BCADHN CNCC(=O)NC[C@](C)(O)c1ccsc1 ZINC000846689000 588282750 /nfs/dbraw/zinc/28/27/50/588282750.db2.gz VIEXIEHSVDPFQP-JTQLQIEISA-N 0 3 228.317 0.291 20 0 BCADHN CCNCC(=O)NC[C@](C)(O)c1ccco1 ZINC000846689526 588282912 /nfs/dbraw/zinc/28/29/12/588282912.db2.gz XRRXWURAYBYROO-NSHDSACASA-N 0 3 226.276 0.213 20 0 BCADHN CNCC(=O)NC[C@@](C)(O)c1ccsc1 ZINC000846689001 588282951 /nfs/dbraw/zinc/28/29/51/588282951.db2.gz VIEXIEHSVDPFQP-SNVBAGLBSA-N 0 3 228.317 0.291 20 0 BCADHN C[C@@](O)(CNC(=O)C1(N)CC1)c1ccsc1 ZINC000846689462 588283029 /nfs/dbraw/zinc/28/30/29/588283029.db2.gz 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C[C@H]1CCOCCN1CCCC(=O)N(C)C ZINC000846845968 588293014 /nfs/dbraw/zinc/29/30/14/588293014.db2.gz AFEBTEQVYQXQJA-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCCNC(=O)CCCN1C[C@H]2C[C@@]2(CO)C1 ZINC000846866447 588294089 /nfs/dbraw/zinc/29/40/89/588294089.db2.gz HDKFUXRTYFQJEB-YPMHNXCESA-N 0 3 240.347 0.607 20 0 BCADHN CN(C)C(=O)CCCN1C[C@@H]2C[C@]2(CO)C1 ZINC000846868522 588294286 /nfs/dbraw/zinc/29/42/86/588294286.db2.gz SCRDKXNEJXUVRW-CMPLNLGQSA-N 0 3 226.320 0.169 20 0 BCADHN Cn1cncc1CCCN1C[C@@H]2C[C@]2(CO)C1 ZINC000846868648 588294460 /nfs/dbraw/zinc/29/44/60/588294460.db2.gz TXBWHADDKARZGN-WCQYABFASA-N 0 3 235.331 0.667 20 0 BCADHN CN1CCN(CC[C@H]2CCOC2=O)CC1(C)C ZINC000846893638 588295874 /nfs/dbraw/zinc/29/58/74/588295874.db2.gz XXTOSUNLPZQMCQ-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@]1(CNC(CO)CO)CC1(Cl)Cl ZINC000846937932 588297494 /nfs/dbraw/zinc/29/74/94/588297494.db2.gz GVVUCGLOOQVGCI-ZETCQYMHSA-N 0 3 228.119 0.513 20 0 BCADHN CON1CCN(CC2(O)CCCC2)CC1 ZINC000846975451 588299389 /nfs/dbraw/zinc/29/93/89/588299389.db2.gz FJPGFVAKQQRSCV-UHFFFAOYSA-N 0 3 214.309 0.471 20 0 BCADHN CC[C@@H]1OCC[C@H]1NC[C@@H]1CN(CC)C(=O)O1 ZINC000846994245 588300843 /nfs/dbraw/zinc/30/08/43/588300843.db2.gz TXIHMGLVAUMMEI-MXWKQRLJSA-N 0 3 242.319 0.984 20 0 BCADHN CCO/C=C/C(=O)NC[C@@H](C)N(C)C ZINC000847331906 588310827 /nfs/dbraw/zinc/31/08/27/588310827.db2.gz JHPBKPRBZOMWRH-XCODYQFDSA-N 0 3 200.282 0.603 20 0 BCADHN C[C@H](O)CN1CCC2(CC1)OCCO2 ZINC000107143865 588331147 /nfs/dbraw/zinc/33/11/47/588331147.db2.gz AWUDPCXNROTUGP-VIFPVBQESA-N 0 3 201.266 0.206 20 0 BCADHN C=C=CCNC(=O)c1ccn(CCN(C)C)n1 ZINC000848112803 588356561 /nfs/dbraw/zinc/35/65/61/588356561.db2.gz UNVJDGFAWNXHKL-UHFFFAOYSA-N 0 3 234.303 0.516 20 0 BCADHN CC(C)ONC(=O)c1ccn(CCN(C)C)n1 ZINC000848163282 588363289 /nfs/dbraw/zinc/36/32/89/588363289.db2.gz YTTHDSBCDLUFDK-UHFFFAOYSA-N 0 3 240.307 0.515 20 0 BCADHN COCOCCCNC(=O)C1(N(C)C)CCC1 ZINC000848168145 588363764 /nfs/dbraw/zinc/36/37/64/588363764.db2.gz YUZYDNZURZQUKH-UHFFFAOYSA-N 0 3 244.335 0.598 20 0 BCADHN O=C(/C=C/C1CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306585 588371948 /nfs/dbraw/zinc/37/19/48/588371948.db2.gz TXBAYKCQXAFKGY-HEKLCECKSA-N 0 3 236.315 0.230 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000848397498 588377337 /nfs/dbraw/zinc/37/73/37/588377337.db2.gz DGAPXZHWPBNXOR-UWVGGRQHSA-N 0 3 236.315 0.964 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](O)c1ccccc1F ZINC000848395969 588377447 /nfs/dbraw/zinc/37/74/47/588377447.db2.gz LHOYSAFZTJJBGC-GZMMTYOYSA-N 0 3 240.278 0.583 20 0 BCADHN CN[C@@H](C)C(=O)NCC[C@H](O)c1ccccc1 ZINC000848404164 588377964 /nfs/dbraw/zinc/37/79/64/588377964.db2.gz FWHHCCQLBKDMIK-JQWIXIFHSA-N 0 3 236.315 0.834 20 0 BCADHN O=C(CC[NH2+]C1CC1)[N-]O[C@H]1CCCCO1 ZINC000848408064 588378917 /nfs/dbraw/zinc/37/89/17/588378917.db2.gz YUGRLFTZOMNTBQ-NSHDSACASA-N 0 3 228.292 0.703 20 0 BCADHN C[C@H](Cc1ccccn1)NC(=O)[C@@H]1C[C@@H]1N ZINC000848435895 588384562 /nfs/dbraw/zinc/38/45/62/588384562.db2.gz ZHBSILLMBXQTCG-IEBDPFPHSA-N 0 3 219.288 0.476 20 0 BCADHN C[C@@H](Cc1ccccn1)NC(=O)[C@@H]1C[C@@H]1N ZINC000848435894 588384569 /nfs/dbraw/zinc/38/45/69/588384569.db2.gz ZHBSILLMBXQTCG-GDPRMGEGSA-N 0 3 219.288 0.476 20 0 BCADHN COc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@@H]1N)C2 ZINC000848435027 588384577 /nfs/dbraw/zinc/38/45/77/588384577.db2.gz OSCHNSLVQFMQRX-NEPJUHHUSA-N 0 3 232.283 0.885 20 0 BCADHN Cc1ccc(C(N)=O)c(NC(=O)[C@H]2CCN2)c1 ZINC000848443897 588385423 /nfs/dbraw/zinc/38/54/23/588385423.db2.gz WNZZAZRNAMTJLG-SECBINFHSA-N 0 3 233.271 0.394 20 0 BCADHN CCOC(=O)CCN(Cn1cnnc1)C(C)C ZINC000848502902 588388003 /nfs/dbraw/zinc/38/80/03/588388003.db2.gz ZEVXGJXVDKUGJD-UHFFFAOYSA-N 0 3 240.307 0.899 20 0 BCADHN Cn1c(CN[C@@H]2CCOC2)cnc1Cl ZINC000848544328 588395168 /nfs/dbraw/zinc/39/51/68/588395168.db2.gz PXITVHIHVQITGF-SSDOTTSWSA-N 0 3 215.684 0.952 20 0 BCADHN C[C@@H]1C[C@H](NC[C@@H]2CN(C3CC3)C(=O)O2)CO1 ZINC000848574884 588398828 /nfs/dbraw/zinc/39/88/28/588398828.db2.gz XMEIUYCBFUERQL-WCABBAIRSA-N 0 3 240.303 0.737 20 0 BCADHN COC(=O)/C=C/c1ccc(CN[C@H](C)CO)o1 ZINC000848895752 588417603 /nfs/dbraw/zinc/41/76/03/588417603.db2.gz XCIJCUNDYMQATB-VUHVRTRXSA-N 0 3 239.271 0.936 20 0 BCADHN CN(C)CCn1cc(C[C@@H](O)C2CC2)nn1 ZINC000849136129 588453786 /nfs/dbraw/zinc/45/37/86/588453786.db2.gz BMPOBBPJKQTQTL-LLVKDONJSA-N 0 3 224.308 0.153 20 0 BCADHN CC[C@@](C)(O)Cc1cn(CCN(C)C)nn1 ZINC000849138051 588454123 /nfs/dbraw/zinc/45/41/23/588454123.db2.gz XKNQGEMSYYXTKU-LLVKDONJSA-N 0 3 226.324 0.543 20 0 BCADHN CC(C)[C@H](O)Cc1cn(CCN(C)C)nn1 ZINC000849137915 588454193 /nfs/dbraw/zinc/45/41/93/588454193.db2.gz UGUZWYYHPFVTGZ-LLVKDONJSA-N 0 3 226.324 0.399 20 0 BCADHN CC(C)[C@@H](O)Cc1cn(CCN(C)C)nn1 ZINC000849137916 588454235 /nfs/dbraw/zinc/45/42/35/588454235.db2.gz UGUZWYYHPFVTGZ-NSHDSACASA-N 0 3 226.324 0.399 20 0 BCADHN COc1ccc(-c2cn(CCN(C)C)nn2)cn1 ZINC000849137870 588454256 /nfs/dbraw/zinc/45/42/56/588454256.db2.gz SIEWYYHXTAQIHM-UHFFFAOYSA-N 0 3 247.302 0.910 20 0 BCADHN CN(C)CCn1cc(C2(O)CCCCC2)nn1 ZINC000849137444 588454405 /nfs/dbraw/zinc/45/44/05/588454405.db2.gz OPUATIMABIUFPZ-UHFFFAOYSA-N 0 3 238.335 0.991 20 0 BCADHN C[C@@H](N)c1cn(-c2ccccc2CO)nn1 ZINC000849146963 588455953 /nfs/dbraw/zinc/45/59/53/588455953.db2.gz IGBKBOYJAJHXNA-MRVPVSSYSA-N 0 3 218.260 0.779 20 0 BCADHN C[C@@H](N)c1cn(C[C@@H](O)Cc2ccccc2)nn1 ZINC000849152319 588456286 /nfs/dbraw/zinc/45/62/86/588456286.db2.gz UIAAOCWNYQKGEY-PWSUYJOCSA-N 0 3 246.314 0.901 20 0 BCADHN Cc1cc(OC[C@H]2CNCCO2)nnc1C ZINC000849240076 588464507 /nfs/dbraw/zinc/46/45/07/588464507.db2.gz DQXDLVPMFXFAGU-SNVBAGLBSA-N 0 3 223.276 0.461 20 0 BCADHN CN1CCC[C@@H]1CNC(=S)NCC1CC1 ZINC000849254363 588465066 /nfs/dbraw/zinc/46/50/66/588465066.db2.gz JQBDXNDOMYOLFU-SNVBAGLBSA-N 0 3 227.377 0.955 20 0 BCADHN CN(C)CCNC(=S)N[C@H](CO)C1CCC1 ZINC000849272293 588468672 /nfs/dbraw/zinc/46/86/72/588468672.db2.gz GOTJUJZIHJQRLQ-SNVBAGLBSA-N 0 3 245.392 0.173 20 0 BCADHN Cc1ccncc1CCNCCS(C)(=O)=O ZINC000849328703 588472754 /nfs/dbraw/zinc/47/27/54/588472754.db2.gz PEBANGCOVXTQCQ-UHFFFAOYSA-N 0 3 242.344 0.567 20 0 BCADHN Cc1ncc(CN[C@@H](CO)C2CC2)n1C ZINC000850137016 588521426 /nfs/dbraw/zinc/52/14/26/588521426.db2.gz IFSVESMGEMAPDI-NSHDSACASA-N 0 3 209.293 0.589 20 0 BCADHN CC[C@@H]1C[C@@H](NC[C@H](O)c2cnn(C)c2)CO1 ZINC000850160678 588522207 /nfs/dbraw/zinc/52/22/07/588522207.db2.gz XRBIVDSOEACIRS-UTUOFQBUSA-N 0 3 239.319 0.611 20 0 BCADHN COC[C@H](OC)C(=O)OCCN1CCCCC1 ZINC000850200700 588527453 /nfs/dbraw/zinc/52/74/53/588527453.db2.gz DKCFRTGJEJUANR-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCc1cncn1C ZINC000850303043 588535485 /nfs/dbraw/zinc/53/54/85/588535485.db2.gz QLOPHPOSYGPHOF-FBIMIBRVSA-N 0 3 237.303 0.707 20 0 BCADHN CCC[C@@H](O)[C@H](CO)NCc1cn[nH]c1 ZINC000850325049 588537018 /nfs/dbraw/zinc/53/70/18/588537018.db2.gz RSERICOGAVQVOE-VHSXEESVSA-N 0 3 213.281 0.021 20 0 BCADHN CC[C@@H]1C[C@@H](NCC(=O)N(CC)OC)CO1 ZINC000850338524 588537259 /nfs/dbraw/zinc/53/72/59/588537259.db2.gz ITTHTODMFMVBKH-NXEZZACHSA-N 0 3 230.308 0.553 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CO[C@@H](CC)C1 ZINC000850338036 588537434 /nfs/dbraw/zinc/53/74/34/588537434.db2.gz DCIBSMBXFWDKDK-UWVGGRQHSA-N 0 3 230.308 0.553 20 0 BCADHN CCCn1nccc1CN[C@@H]1CC[C@H]1O ZINC000850332924 588537607 /nfs/dbraw/zinc/53/76/07/588537607.db2.gz ZJQUOBKMNJWKMR-GHMZBOCLSA-N 0 3 209.293 0.906 20 0 BCADHN O[C@@H]1C[C@H](NCc2cncnc2)C12CCC2 ZINC000850389194 588542939 /nfs/dbraw/zinc/54/29/39/588542939.db2.gz TUNJSLMJYULBHB-WDEREUQCSA-N 0 3 219.288 0.870 20 0 BCADHN O[C@H]1C[C@H](NCc2cncnc2)C12CCC2 ZINC000850389193 588543359 /nfs/dbraw/zinc/54/33/59/588543359.db2.gz TUNJSLMJYULBHB-QWRGUYRKSA-N 0 3 219.288 0.870 20 0 BCADHN CC[S@](=O)CCN[C@@H](C)Cn1cncn1 ZINC000850434789 588546059 /nfs/dbraw/zinc/54/60/59/588546059.db2.gz XQVUIHDHBKFNLM-VFZGTOFNSA-N 0 3 230.337 0.025 20 0 BCADHN C[C@H](CSCCF)NCCS(C)(=O)=O ZINC000850431614 588546128 /nfs/dbraw/zinc/54/61/28/588546128.db2.gz ZMUFXOOKFYPMFT-MRVPVSSYSA-N 0 3 243.369 0.712 20 0 BCADHN C[C@H](Cn1cncn1)NC1COC(C)(C)OC1 ZINC000850461785 588547898 /nfs/dbraw/zinc/54/78/98/588547898.db2.gz NSSZUFIGWJSWDP-SECBINFHSA-N 0 3 240.307 0.408 20 0 BCADHN O[C@@H]1CC[C@H]1N[C@H]1CCCn2nccc21 ZINC000850474104 588549611 /nfs/dbraw/zinc/54/96/11/588549611.db2.gz ISWVHEXVKIHHDJ-IQJOONFLSA-N 0 3 207.277 0.831 20 0 BCADHN CON(C)CCN[C@H](C)c1cnn(C)c1 ZINC000850480253 588551053 /nfs/dbraw/zinc/55/10/53/588551053.db2.gz NZGAQPZYCLGFQJ-SECBINFHSA-N 0 3 212.297 0.564 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000850534692 588558381 /nfs/dbraw/zinc/55/83/81/588558381.db2.gz OVVFUMAGISYLJV-XKSSXDPKSA-N 0 3 248.273 0.654 20 0 BCADHN Cc1cc([C@@H](C)N[C@H]2C[C@H](O)C2)n(C)n1 ZINC000850579479 588561828 /nfs/dbraw/zinc/56/18/28/588561828.db2.gz YDQNRGCXECYSQE-OPRDCNLKSA-N 0 3 209.293 0.902 20 0 BCADHN CC(C)CONC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851658876 588612359 /nfs/dbraw/zinc/61/23/59/588612359.db2.gz KJAHDWFALDUIRZ-RKDXNWHRSA-N 0 3 233.287 0.655 20 0 BCADHN CSC(C)(C)C(=O)NC[C@@H]1CNCCO1 ZINC000851638632 588612570 /nfs/dbraw/zinc/61/25/70/588612570.db2.gz IRKDHFDABRBBKC-QMMMGPOBSA-N 0 3 232.349 0.233 20 0 BCADHN CCC1(C(=O)N2CC[C@@H](F)[C@H](N)C2)COC1 ZINC000851648865 588613093 /nfs/dbraw/zinc/61/30/93/588613093.db2.gz QLYRCGHMWRFSJK-RKDXNWHRSA-N 0 3 230.283 0.311 20 0 BCADHN CO[C@H](C)CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851648770 588613287 /nfs/dbraw/zinc/61/32/87/588613287.db2.gz OCFSKWXYMPFWAH-IWSPIJDZSA-N 0 3 218.272 0.309 20 0 BCADHN O[C@H](CN1CCC[C@@H](O)C1)c1ccccn1 ZINC000851719174 588616602 /nfs/dbraw/zinc/61/66/02/588616602.db2.gz WIPVLCUNNVTQSK-ZYHUDNBSSA-N 0 3 222.288 0.572 20 0 BCADHN OC[C@H]1CCCN(CCOC(F)F)C1 ZINC000851720702 588616995 /nfs/dbraw/zinc/61/69/95/588616995.db2.gz QRQPJTOFOHLQRJ-QMMMGPOBSA-N 0 3 209.236 0.930 20 0 BCADHN CCN(CC(=O)N(C)C)[C@H]1CC[C@@H](OC)C1 ZINC000851726019 588618160 /nfs/dbraw/zinc/61/81/60/588618160.db2.gz LBFJPLABVNBDLT-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CC1(C)OC[C@H](CN(CCO)C2CC2)O1 ZINC000851728711 588619062 /nfs/dbraw/zinc/61/90/62/588619062.db2.gz CLJPFBPFTYHPAD-JTQLQIEISA-N 0 3 215.293 0.595 20 0 BCADHN COC(=O)[C@H]1CCN(CCOC(F)F)C1 ZINC000851730241 588619080 /nfs/dbraw/zinc/61/90/80/588619080.db2.gz OBTXQFXEQDWONO-ZETCQYMHSA-N 0 3 223.219 0.721 20 0 BCADHN CCN(CC(=O)NC)[C@H]1CC[C@H](OC)C1 ZINC000851732983 588619707 /nfs/dbraw/zinc/61/97/07/588619707.db2.gz GHMDYKUKYHPIJG-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CCN(CC[C@H]1COC(C)(C)O1)CC(=O)NC ZINC000851733254 588619733 /nfs/dbraw/zinc/61/97/33/588619733.db2.gz PDULRJSPBGSOPH-JTQLQIEISA-N 0 3 244.335 0.596 20 0 BCADHN CC1(C)OC[C@H](CN2CCC[C@@H]2CO)O1 ZINC000851736162 588620224 /nfs/dbraw/zinc/62/02/24/588620224.db2.gz GZSQKEFOKDYVCW-ZJUUUORDSA-N 0 3 215.293 0.595 20 0 BCADHN NC(=O)C[C@H]1CCCCN1CCOC(F)F ZINC000851750864 588623304 /nfs/dbraw/zinc/62/33/04/588623304.db2.gz GNRGNQKYKVLICB-MRVPVSSYSA-N 0 3 236.262 0.956 20 0 BCADHN CN(C[C@H]1CCC(=O)O1)[C@@H]1CCN(C2CC2)C1 ZINC000851769357 588625428 /nfs/dbraw/zinc/62/54/28/588625428.db2.gz RYKDXRJEUBZADL-VXGBXAGGSA-N 0 3 238.331 0.861 20 0 BCADHN CN(C[C@](O)(C(N)=O)c1ccccc1)C1CCC1 ZINC000851785314 588628376 /nfs/dbraw/zinc/62/83/76/588628376.db2.gz PLBZANFWECANFO-CQSZACIVSA-N 0 3 248.326 0.844 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)C[C@@H]1CCC(=O)O1 ZINC000851797945 588629944 /nfs/dbraw/zinc/62/99/44/588629944.db2.gz NICXLWDGDRBQBK-IUCAKERBSA-N 0 3 228.292 0.006 20 0 BCADHN CN(C[C@H](O)C1CC1)C[C@H]1COC(C)(C)O1 ZINC000851802893 588630878 /nfs/dbraw/zinc/63/08/78/588630878.db2.gz MPELHGGYEYIVQT-QWRGUYRKSA-N 0 3 229.320 0.841 20 0 BCADHN COC[C@](C)(CCO)NC[C@H]1CCC(=O)O1 ZINC000851806826 588631445 /nfs/dbraw/zinc/63/14/45/588631445.db2.gz AIMCHDPOPZUNPM-KOLCDFICSA-N 0 3 231.292 0.069 20 0 BCADHN COC(CCN1CCCC2(C1)OCCO2)OC ZINC000851859598 588635639 /nfs/dbraw/zinc/63/56/39/588635639.db2.gz WGSMVWJTAOFJNU-UHFFFAOYSA-N 0 3 245.319 0.834 20 0 BCADHN COC(=O)C[C@H]1CCCN1C[C@H]1CCC(=O)O1 ZINC000851859143 588635869 /nfs/dbraw/zinc/63/58/69/588635869.db2.gz KCHKTGLECMOFGJ-NXEZZACHSA-N 0 3 241.287 0.720 20 0 BCADHN C[C@H]1COCCCN1C[C@H]1CCC(=O)O1 ZINC000851860953 588635940 /nfs/dbraw/zinc/63/59/40/588635940.db2.gz LYWJYKZVLZJUSF-VHSXEESVSA-N 0 3 213.277 0.803 20 0 BCADHN CC(=O)OC1CCN(C[C@H]2CCC(=O)O2)CC1 ZINC000851864899 588636313 /nfs/dbraw/zinc/63/63/13/588636313.db2.gz NDSUMRSOGOBNNX-LLVKDONJSA-N 0 3 241.287 0.720 20 0 BCADHN COC[C@@H](CN1CCOC[C@@H](C)C1)OC ZINC000851865812 588636545 /nfs/dbraw/zinc/63/65/45/588636545.db2.gz IHTQWENRSNNDFD-WDEREUQCSA-N 0 3 217.309 0.616 20 0 BCADHN COC(CCN(C)C1(C(N)=O)CCCC1)OC ZINC000851868263 588636702 /nfs/dbraw/zinc/63/67/02/588636702.db2.gz QFFGQLCKUKIRDQ-UHFFFAOYSA-N 0 3 244.335 0.725 20 0 BCADHN CCN1CCN(C[C@H]2CCC(=O)O2)C[C@H]1C ZINC000851866826 588636974 /nfs/dbraw/zinc/63/69/74/588636974.db2.gz XBCYXKHJZMWIJX-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN Cn1ccnc1[C@H]1CCN(C[C@@H]2CCC(=O)O2)C1 ZINC000851868827 588637070 /nfs/dbraw/zinc/63/70/70/588637070.db2.gz VRVVQUIHPBOYIE-QWRGUYRKSA-N 0 3 249.314 0.915 20 0 BCADHN CO[C@@H]1CC[C@@H](N(C)[C@@H]2CCNC2=O)C1 ZINC000851870231 588637408 /nfs/dbraw/zinc/63/74/08/588637408.db2.gz AZRJCKLRADJJNF-OPRDCNLKSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@H]1CN(CCOC(F)F)CCN1C ZINC000851877138 588638741 /nfs/dbraw/zinc/63/87/41/588638741.db2.gz XWJYPMJVGPAILP-QMMMGPOBSA-N 0 3 208.252 0.862 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCN3C(=O)CC[C@H]3C2)C1 ZINC000851883746 588639372 /nfs/dbraw/zinc/63/93/72/588639372.db2.gz JAHRWAGMQDPBIQ-SDDRHHMPSA-N 0 3 238.331 0.861 20 0 BCADHN CCn1ncc(CN[C@@H](C)[C@@H]2CCOC2)n1 ZINC000851932231 588645122 /nfs/dbraw/zinc/64/51/22/588645122.db2.gz DAMAIHVYOHEIOX-VHSXEESVSA-N 0 3 224.308 0.813 20 0 BCADHN CC[C@]1(O)CCN(C[C@H]2CCC(=O)O2)C1 ZINC000851957363 588647767 /nfs/dbraw/zinc/64/77/67/588647767.db2.gz NMRWNPQFROCVNS-KOLCDFICSA-N 0 3 213.277 0.539 20 0 BCADHN CC[C@]1(O)CCN(C[C@@H](O)c2ccccn2)C1 ZINC000851958226 588648315 /nfs/dbraw/zinc/64/83/15/588648315.db2.gz ZXZQUOZBOUBEBM-OLZOCXBDSA-N 0 3 236.315 0.962 20 0 BCADHN CN(C[C@H]1COC(C)(C)O1)CC1(CO)CC1 ZINC000851968395 588649010 /nfs/dbraw/zinc/64/90/10/588649010.db2.gz MOYTZKQNPBOSMB-JTQLQIEISA-N 0 3 229.320 0.842 20 0 BCADHN CN(C[C@@H]1COC(C)(C)O1)CC1(CO)CC1 ZINC000851968396 588649170 /nfs/dbraw/zinc/64/91/70/588649170.db2.gz MOYTZKQNPBOSMB-SNVBAGLBSA-N 0 3 229.320 0.842 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCc3n[nH]nc3C2)C1 ZINC000851973668 588650018 /nfs/dbraw/zinc/65/00/18/588650018.db2.gz HJQFJIHEVZSQTN-DTWKUNHWSA-N 0 3 222.292 0.730 20 0 BCADHN CN(CCCCO)C[C@H](O)c1ccccn1 ZINC000851976800 588650382 /nfs/dbraw/zinc/65/03/82/588650382.db2.gz KFCZBRACAXMKBX-LBPRGKRZSA-N 0 3 224.304 0.819 20 0 BCADHN COCC[C@]1(NC[C@@H]2CCC(=O)O2)CCOC1 ZINC000851991758 588653148 /nfs/dbraw/zinc/65/31/48/588653148.db2.gz DHOLURDKNZNEOW-JQWIXIFHSA-N 0 3 243.303 0.477 20 0 BCADHN COCC[C@@]1(NC[C@H]2CCC(=O)O2)CCOC1 ZINC000851991761 588653159 /nfs/dbraw/zinc/65/31/59/588653159.db2.gz DHOLURDKNZNEOW-ZYHUDNBSSA-N 0 3 243.303 0.477 20 0 BCADHN COCCN(C[C@@H]1CCC(=O)O1)[C@@H]1CCOC1 ZINC000851995422 588653404 /nfs/dbraw/zinc/65/34/04/588653404.db2.gz ZBPNKAFAXJUVDP-MNOVXSKESA-N 0 3 243.303 0.429 20 0 BCADHN COCCN(C[C@H]1CCC(=O)O1)[C@H]1CCOC1 ZINC000851995426 588653649 /nfs/dbraw/zinc/65/36/49/588653649.db2.gz ZBPNKAFAXJUVDP-WDEREUQCSA-N 0 3 243.303 0.429 20 0 BCADHN CC1(C)CN(C[C@@H](O)c2ccccn2)C[C@H]1O ZINC000851998587 588653924 /nfs/dbraw/zinc/65/39/24/588653924.db2.gz VPONAZNSLNIRRM-VXGBXAGGSA-N 0 3 236.315 0.818 20 0 BCADHN COC(CCN(CCO)[C@@H]1CCO[C@@H]1C)OC ZINC000852004447 588654120 /nfs/dbraw/zinc/65/41/20/588654120.db2.gz RAWLQYXSJPCEBS-GHMZBOCLSA-N 0 3 247.335 0.467 20 0 BCADHN C[C@@]1(C(N)=O)CCN(C[C@H](O)c2ccccn2)C1 ZINC000852002934 588654195 /nfs/dbraw/zinc/65/41/95/588654195.db2.gz GDPRHVYCWFLBOV-WCQYABFASA-N 0 3 249.314 0.312 20 0 BCADHN CCN(CCOCCO)CCOC(F)F ZINC000852015712 588655346 /nfs/dbraw/zinc/65/53/46/588655346.db2.gz NRVNNJFAONQPGB-UHFFFAOYSA-N 0 3 227.251 0.556 20 0 BCADHN CO[C@@H](C)CN(C)C[C@@H]1CCC(=O)O1 ZINC000852044983 588657446 /nfs/dbraw/zinc/65/74/46/588657446.db2.gz JINSZGKXHPKUMA-IUCAKERBSA-N 0 3 201.266 0.659 20 0 BCADHN O[C@H](CN1CCC[C@@H](O)CC1)c1ccccn1 ZINC000852094216 588661137 /nfs/dbraw/zinc/66/11/37/588661137.db2.gz HYQXGEJSSGIJPA-DGCLKSJQSA-N 0 3 236.315 0.962 20 0 BCADHN CCN(C[C@H]1COC(C)(C)O1)[C@@H](C)CO ZINC000852096138 588661805 /nfs/dbraw/zinc/66/18/05/588661805.db2.gz VFPLXZKOUNYYOC-UWVGGRQHSA-N 0 3 217.309 0.841 20 0 BCADHN CN1CC[C@]2(C1)CCCN(CC[S@](C)=O)C2 ZINC000852104964 588663594 /nfs/dbraw/zinc/66/35/94/588663594.db2.gz HLJPSCIKVVBHAX-LRDDRELGSA-N 0 3 244.404 0.783 20 0 BCADHN CC1(C)OC[C@H](CCN2CCOC[C@H](O)C2)O1 ZINC000852111502 588664543 /nfs/dbraw/zinc/66/45/43/588664543.db2.gz BABCBBHLGDMDEJ-MNOVXSKESA-N 0 3 245.319 0.221 20 0 BCADHN CO[C@H]1CC[C@H](N2CCN(OC)CC2)C1 ZINC000852143802 588666689 /nfs/dbraw/zinc/66/66/89/588666689.db2.gz IBNSQUZTUHAVCS-QWRGUYRKSA-N 0 3 214.309 0.733 20 0 BCADHN COC[C@]1(CO)CCN(CCOC(F)F)C1 ZINC000852146178 588667099 /nfs/dbraw/zinc/66/70/99/588667099.db2.gz HTXBLDHEIDIYLO-SNVBAGLBSA-N 0 3 239.262 0.556 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@@H]1COC(C)(C)O1 ZINC000852145743 588667120 /nfs/dbraw/zinc/66/71/20/588667120.db2.gz CTMCQXRZARLNHM-GMTAPVOTSA-N 0 3 245.319 0.531 20 0 BCADHN CN(C)C(=O)C1(NC[C@H]2COC(C)(C)O2)CC1 ZINC000852171487 588669304 /nfs/dbraw/zinc/66/93/04/588669304.db2.gz GYNIVHFFQZBCSW-VIFPVBQESA-N 0 3 242.319 0.348 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1C[C@@H](O)c1ccccn1 ZINC000852184835 588670542 /nfs/dbraw/zinc/67/05/42/588670542.db2.gz QRMGCTZDQXXSFJ-NTZNESFSSA-N 0 3 236.315 0.960 20 0 BCADHN O=C1CC[C@@H](CN2CC[C@@H]3OCC[C@@H]3C2)O1 ZINC000852205925 588671702 /nfs/dbraw/zinc/67/17/02/588671702.db2.gz AYYQQFDMMCKZSR-VWYCJHECSA-N 0 3 225.288 0.803 20 0 BCADHN COC(=O)CC1(NC[C@H]2COC(C)(C)O2)CC1 ZINC000852210361 588672438 /nfs/dbraw/zinc/67/24/38/588672438.db2.gz CFGNFWIBAPHJKY-VIFPVBQESA-N 0 3 243.303 0.823 20 0 BCADHN C[C@H](CCO)N(C)C[C@@H](O)c1ccccn1 ZINC000852214395 588672910 /nfs/dbraw/zinc/67/29/10/588672910.db2.gz VYTKJJPDIKYWKP-ZYHUDNBSSA-N 0 3 224.304 0.818 20 0 BCADHN C[C@H](CCO)N(C)C[C@H](O)c1ccccn1 ZINC000852214394 588672944 /nfs/dbraw/zinc/67/29/44/588672944.db2.gz VYTKJJPDIKYWKP-PWSUYJOCSA-N 0 3 224.304 0.818 20 0 BCADHN OC[C@@H](NCC1OCCO1)C1CCC1 ZINC000852320448 588678582 /nfs/dbraw/zinc/67/85/82/588678582.db2.gz LBVSWQKZWGLVHA-SECBINFHSA-N 0 3 201.266 0.110 20 0 BCADHN CO[C@@]1(CO)CCCN(C[C@H]2CCC(=O)O2)C1 ZINC000852408567 588680684 /nfs/dbraw/zinc/68/06/84/588680684.db2.gz CTCFKCHWVVNREA-PWSUYJOCSA-N 0 3 243.303 0.165 20 0 BCADHN O=C1OCCN1[C@H]1CCN(CC2(O)CCC2)C1 ZINC000852435502 588681966 /nfs/dbraw/zinc/68/19/66/588681966.db2.gz PSDMYKOQWRHQIM-JTQLQIEISA-N 0 3 240.303 0.428 20 0 BCADHN C[C@H](O)CCCN1CC[C@@H](N2CCOC2=O)C1 ZINC000852438531 588682005 /nfs/dbraw/zinc/68/20/05/588682005.db2.gz SELLVKAUQSXGLK-WDEREUQCSA-N 0 3 242.319 0.674 20 0 BCADHN O=C1OCCN1[C@H]1CCN(CCCCCO)C1 ZINC000852433558 588682439 /nfs/dbraw/zinc/68/24/39/588682439.db2.gz STJKNNGHSWVAOS-NSHDSACASA-N 0 3 242.319 0.676 20 0 BCADHN CC[C@@H](CN1CC[C@H](N2CCOC2=O)C1)OC ZINC000852444631 588682587 /nfs/dbraw/zinc/68/25/87/588682587.db2.gz WKYYYMIERNUXJU-QWRGUYRKSA-N 0 3 242.319 0.938 20 0 BCADHN CCC(=O)CCN1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000852495707 588685417 /nfs/dbraw/zinc/68/54/17/588685417.db2.gz MNVAQXUSAIFGDN-CMPLNLGQSA-N 0 3 238.331 0.956 20 0 BCADHN C[S@](=O)CCN1C[C@H]2COC[C@@]2(C)C1 ZINC000852534925 588686115 /nfs/dbraw/zinc/68/61/15/588686115.db2.gz RTHAVMWYWJBTNP-RBZYPMLTSA-N 0 3 217.334 0.333 20 0 BCADHN O=C1CC[C@H](N2CCC[C@H](CCF)C2)C(=O)N1 ZINC000852532726 588688354 /nfs/dbraw/zinc/68/83/54/588688354.db2.gz LSSKCZWRSHRNST-ZJUUUORDSA-N 0 3 242.294 0.863 20 0 BCADHN C[C@H](O)[C@H]1CCCN1C[C@H](O)c1ccccn1 ZINC000852557916 588690128 /nfs/dbraw/zinc/69/01/28/588690128.db2.gz BUQVKKTYYSXGIU-UHTWSYAYSA-N 0 3 236.315 0.960 20 0 BCADHN CNC(=O)CCCN(C)CCN(C)C(=O)OC ZINC000852568612 588691253 /nfs/dbraw/zinc/69/12/53/588691253.db2.gz LGIXTOUOVDETLK-UHFFFAOYSA-N 0 3 245.323 0.143 20 0 BCADHN COC(=O)N(C)CCN(C)C[C@@H](C)OC ZINC000852568787 588691267 /nfs/dbraw/zinc/69/12/67/588691267.db2.gz OWMCQXGTYGTANR-SECBINFHSA-N 0 3 218.297 0.651 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1C[C@@H](O)C12CCC2 ZINC000852584832 588692072 /nfs/dbraw/zinc/69/20/72/588692072.db2.gz RXZFSPQAXCEJSM-VHSXEESVSA-N 0 3 247.360 0.314 20 0 BCADHN C[S@](=O)CCN1CC[C@@H]2COC[C@@H]2C1 ZINC000852664093 588694699 /nfs/dbraw/zinc/69/46/99/588694699.db2.gz BWJBCRAKVSLUGN-BFVZDQMLSA-N 0 3 217.334 0.333 20 0 BCADHN NS(=O)(=O)CCN1CCC[C@H](C2CCC2)C1 ZINC000852674013 588694927 /nfs/dbraw/zinc/69/49/27/588694927.db2.gz STCANXYSMNOABP-NSHDSACASA-N 0 3 246.376 0.787 20 0 BCADHN FC(F)OCCN1CCC2(COC2)C1 ZINC000852683025 588695308 /nfs/dbraw/zinc/69/53/08/588695308.db2.gz QNNHHSFXNDIRLG-UHFFFAOYSA-N 0 3 207.220 0.948 20 0 BCADHN O=C1OCCN1CCCN1CCC2(COC2)C1 ZINC000852683989 588695666 /nfs/dbraw/zinc/69/56/66/588695666.db2.gz YTQUYILDTJXGJX-UHFFFAOYSA-N 0 3 240.303 0.551 20 0 BCADHN CC[C@@H]1CCC[C@H](C)N1CCS(N)(=O)=O ZINC000852712106 588697106 /nfs/dbraw/zinc/69/71/06/588697106.db2.gz LZSYRCMMKCMTPY-VHSXEESVSA-N 0 3 234.365 0.928 20 0 BCADHN CO[C@H](C)CN1CCC(N2CCOC2=O)CC1 ZINC000852721212 588697826 /nfs/dbraw/zinc/69/78/26/588697826.db2.gz IUJCWMXSIJNWIE-SNVBAGLBSA-N 0 3 242.319 0.938 20 0 BCADHN c1ccc([C@H]2CCN(C[C@@H]3CNCCO3)C2)nc1 ZINC000852750225 588700034 /nfs/dbraw/zinc/70/00/34/588700034.db2.gz ONISAQTVKNWIBH-STQMWFEESA-N 0 3 247.342 0.859 20 0 BCADHN CC[C@H](O)CN1CCC(NC(=O)OC)CC1 ZINC000852765644 588700860 /nfs/dbraw/zinc/70/08/60/588700860.db2.gz SZZXUYCTTXJVKW-JTQLQIEISA-N 0 3 230.308 0.578 20 0 BCADHN COC(=O)NC1CCN(C[C@@H](C)O)CC1 ZINC000852763746 588700889 /nfs/dbraw/zinc/70/08/89/588700889.db2.gz XMIZJEPKILHPEC-MRVPVSSYSA-N 0 3 216.281 0.188 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H]1NCC12CCOCC2 ZINC000852772499 588701788 /nfs/dbraw/zinc/70/17/88/588701788.db2.gz KZXVSXZQZDBORO-NXEZZACHSA-N 0 3 226.320 0.670 20 0 BCADHN CCC/C=C\C(=O)N1CCN(C)C[C@@H]1CN ZINC000852797844 588703646 /nfs/dbraw/zinc/70/36/46/588703646.db2.gz CEZUZXLPBLOOFJ-GZTOBOFZSA-N 0 3 225.336 0.444 20 0 BCADHN NC[C@@H]1CC(C(=O)N2CCCCCC2)=NO1 ZINC000852798782 588703927 /nfs/dbraw/zinc/70/39/27/588703927.db2.gz BHBKIVHOWFCPCL-VIFPVBQESA-N 0 3 225.292 0.493 20 0 BCADHN C[C@@H]1CCCC[C@@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852800769 588704345 /nfs/dbraw/zinc/70/43/45/588704345.db2.gz BPKIVGCLYHYKFL-BBBLOLIVSA-N 0 3 239.319 0.785 20 0 BCADHN CCCN(CC1CC1)C(=O)C1=NO[C@H](CN)C1 ZINC000852801423 588704508 /nfs/dbraw/zinc/70/45/08/588704508.db2.gz KOENWUSLZSLVQE-JTQLQIEISA-N 0 3 239.319 0.739 20 0 BCADHN C[C@H]1CCCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852801672 588704654 /nfs/dbraw/zinc/70/46/54/588704654.db2.gz UQOUCGWHJCHBDF-DTWKUNHWSA-N 0 3 225.292 0.491 20 0 BCADHN NC[C@H]1CC(C(=O)Nc2ccc(F)nc2)=NO1 ZINC000852810881 588704768 /nfs/dbraw/zinc/70/47/68/588704768.db2.gz XYQWPPCIQKWFGR-SSDOTTSWSA-N 0 3 238.222 0.263 20 0 BCADHN C[C@@H]1CCC[C@@H](NC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852810142 588704898 /nfs/dbraw/zinc/70/48/98/588704898.db2.gz BUFJGCDEIVFVQN-OPRDCNLKSA-N 0 3 239.319 0.785 20 0 BCADHN CC(C)(C)CNC(=O)C1=NO[C@H](CN)C1 ZINC000852810933 588704959 /nfs/dbraw/zinc/70/49/59/588704959.db2.gz YYVAEICOFUOHOP-ZETCQYMHSA-N 0 3 213.281 0.252 20 0 BCADHN C[C@@H](N(C)C(=O)C1=NO[C@H](CN)C1)C(C)(C)C ZINC000852813350 588705171 /nfs/dbraw/zinc/70/51/71/588705171.db2.gz IGGVCZLQOGWQFM-BDAKNGLRSA-N 0 3 241.335 0.983 20 0 BCADHN CCN(C(=O)C1=NO[C@@H](CN)C1)C1CCCC1 ZINC000852814812 588705202 /nfs/dbraw/zinc/70/52/02/588705202.db2.gz OJWVUDCQUMYFGO-SNVBAGLBSA-N 0 3 239.319 0.881 20 0 BCADHN CC1(NC(=O)C2=NO[C@@H](CN)C2)CCCCC1 ZINC000852818645 588705554 /nfs/dbraw/zinc/70/55/54/588705554.db2.gz YKERKXMCJMZFDJ-SECBINFHSA-N 0 3 239.319 0.929 20 0 BCADHN CN(CC(C)(C)C)C(=O)C1=NO[C@H](CN)C1 ZINC000852818313 588705579 /nfs/dbraw/zinc/70/55/79/588705579.db2.gz HRTGHAXRFAFYDB-QMMMGPOBSA-N 0 3 227.308 0.595 20 0 BCADHN CC(C)N(CC1CC1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852815916 588705592 /nfs/dbraw/zinc/70/55/92/588705592.db2.gz DWNZQPIKLGIAAB-SNVBAGLBSA-N 0 3 239.319 0.737 20 0 BCADHN CC[C@@H](C)N(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852818684 588705598 /nfs/dbraw/zinc/70/55/98/588705598.db2.gz ZDKYPZCWWAMXTL-SFYZADRCSA-N 0 3 213.281 0.347 20 0 BCADHN CC[C@H](NC)C(=O)N(C)[C@H]1CCCCNC1=O ZINC000852824894 588705628 /nfs/dbraw/zinc/70/56/28/588705628.db2.gz HNXZEQHYJPBCNC-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@@H](NC)C(=O)N(C)[C@H]1CCCCNC1=O ZINC000852824896 588706065 /nfs/dbraw/zinc/70/60/65/588706065.db2.gz HNXZEQHYJPBCNC-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@@]1(C)CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852851167 588706763 /nfs/dbraw/zinc/70/67/63/588706763.db2.gz YDCRATJLMWXUKE-SKDRFNHKSA-N 0 3 239.319 0.739 20 0 BCADHN C[C@H]1CC[C@H](NC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852836490 588707154 /nfs/dbraw/zinc/70/71/54/588707154.db2.gz AQMVXSMKZXZTEP-OPRDCNLKSA-N 0 3 239.319 0.785 20 0 BCADHN C[C@H]1CSCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852839233 588707269 /nfs/dbraw/zinc/70/72/69/588707269.db2.gz ALSNUVPGTYDKNG-YUMQZZPRSA-N 0 3 243.332 0.054 20 0 BCADHN NC[C@H]1CC(C(=O)NCCC2CC2)=NO1 ZINC000852840966 588707377 /nfs/dbraw/zinc/70/73/77/588707377.db2.gz CEEOAQBFKWWLBO-MRVPVSSYSA-N 0 3 211.265 0.006 20 0 BCADHN NC[C@@H]1CC(C(=O)NC[C@@H]2CCCS2)=NO1 ZINC000852841782 588707480 /nfs/dbraw/zinc/70/74/80/588707480.db2.gz PNZODPJTXXOVDA-YUMQZZPRSA-N 0 3 243.332 0.102 20 0 BCADHN NC[C@H]1CC(C(=O)NC[C@H]2CCCS2)=NO1 ZINC000852841779 588707517 /nfs/dbraw/zinc/70/75/17/588707517.db2.gz PNZODPJTXXOVDA-HTQZYQBOSA-N 0 3 243.332 0.102 20 0 BCADHN CCC1(NC(=O)C2=NO[C@H](CN)C2)CCC1 ZINC000852842023 588707546 /nfs/dbraw/zinc/70/75/46/588707546.db2.gz VGCIQWMHGFRSQP-QMMMGPOBSA-N 0 3 225.292 0.539 20 0 BCADHN Nc1cccc(CNC(=O)[C@@]2(F)CCNC2)c1 ZINC000852842453 588707574 /nfs/dbraw/zinc/70/75/74/588707574.db2.gz CBAHABTXESQVQX-GFCCVEGCSA-N 0 3 237.278 0.587 20 0 BCADHN C[C@H]1CN(C(=O)C2=NO[C@H](CN)C2)C[C@H]1C ZINC000852843446 588707777 /nfs/dbraw/zinc/70/77/77/588707777.db2.gz XXFDKORSVIFZOA-YIZRAAEISA-N 0 3 225.292 0.204 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N[C@@H]1C=CCC1 ZINC000852848065 588707915 /nfs/dbraw/zinc/70/79/15/588707915.db2.gz ZELUNASUHYJZDW-RKDXNWHRSA-N 0 3 226.276 0.102 20 0 BCADHN C[C@H](N(C)C(=O)C1=NO[C@H](CN)C1)C1(C)CC1 ZINC000852853037 588708351 /nfs/dbraw/zinc/70/83/51/588708351.db2.gz PVEBDAMAKCKYGQ-IUCAKERBSA-N 0 3 239.319 0.737 20 0 BCADHN CC[C@@H](C)CN(CC)C(=O)C1=NO[C@H](CN)C1 ZINC000852851537 588708376 /nfs/dbraw/zinc/70/83/76/588708376.db2.gz SLQKWPYUYSMSDL-ZJUUUORDSA-N 0 3 241.335 0.985 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1C[C@H](O)c2ccccc21 ZINC000852854150 588708545 /nfs/dbraw/zinc/70/85/45/588708545.db2.gz DBYSCQIFYHVGMG-UWJYBYFXSA-N 0 3 234.299 0.889 20 0 BCADHN C[C@@H]1CCC[C@@H](CNC(=O)[C@@]2(F)CCNC2)O1 ZINC000852855126 588708576 /nfs/dbraw/zinc/70/85/76/588708576.db2.gz FLJKPQMBSCRMJC-JFGNBEQYSA-N 0 3 244.310 0.762 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](O)c2ccccc21 ZINC000852855231 588708624 /nfs/dbraw/zinc/70/86/24/588708624.db2.gz XDQQNZXKTYHOPM-QCNOEVLYSA-N 0 3 232.283 0.628 20 0 BCADHN NC[C@@H]1CC(C(=O)Nc2ccccn2)=NO1 ZINC000852856508 588708741 /nfs/dbraw/zinc/70/87/41/588708741.db2.gz RIXVLJWMFFCFPY-ZETCQYMHSA-N 0 3 220.232 0.124 20 0 BCADHN Cc1ccc(CNC(=O)C2=NO[C@@H](CN)C2)cn1 ZINC000852858877 588708755 /nfs/dbraw/zinc/70/87/55/588708755.db2.gz JHTOKWDYERNQHQ-SNVBAGLBSA-N 0 3 248.286 0.110 20 0 BCADHN CC1(C)C[C@@]1(C)NC(=O)[C@]1(F)CCNC1 ZINC000852864746 588709377 /nfs/dbraw/zinc/70/93/77/588709377.db2.gz GVHYNHBMRCPYLV-MNOVXSKESA-N 0 3 214.284 0.993 20 0 BCADHN [NH3+]C1(CC(=O)[N-]O[C@H]2CCCCO2)CC1 ZINC000852856714 588708958 /nfs/dbraw/zinc/70/89/58/588708958.db2.gz UIPKQLKPKRCHKE-VIFPVBQESA-N 0 3 214.265 0.442 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000852856471 588708997 /nfs/dbraw/zinc/70/89/97/588708997.db2.gz QQIOLFHSNYEGNJ-PPKCKEKNSA-N 0 3 220.272 0.628 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000852861170 588709075 /nfs/dbraw/zinc/70/90/75/588709075.db2.gz PYCUXAWVHPFUAC-KWBADKCTSA-N 0 3 238.331 0.622 20 0 BCADHN O=C(N1CC[C@@H]2C[C@@H]2C1)[C@]1(F)CCNC1 ZINC000852864342 588709267 /nfs/dbraw/zinc/70/92/67/588709267.db2.gz STGMBCPCYWJINM-KKZNHRDASA-N 0 3 212.268 0.556 20 0 BCADHN C[C@@H](NN1C[C@@H](C)NC[C@H]1C)c1ncnn1C ZINC000852874075 588709975 /nfs/dbraw/zinc/70/99/75/588709975.db2.gz HRNHXQXTIJMCEH-OPRDCNLKSA-N 0 3 238.339 0.063 20 0 BCADHN C[C@H](CCC1CC1)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852887090 588711570 /nfs/dbraw/zinc/71/15/70/588711570.db2.gz FJEXYVADOKESIK-PSASIEDQSA-N 0 3 239.319 0.785 20 0 BCADHN NC[C@@H]1CC(C(=O)N2CCc3ccncc32)=NO1 ZINC000852888847 588711646 /nfs/dbraw/zinc/71/16/46/588711646.db2.gz NGHIEVQTJZIKEY-VIFPVBQESA-N 0 3 246.270 0.074 20 0 BCADHN COC(=O)[C@@]1(F)CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000852896842 588711955 /nfs/dbraw/zinc/71/19/55/588711955.db2.gz CKIOSGFBJDGPFS-LDYMZIIASA-N 0 3 246.282 0.083 20 0 BCADHN NC[C@@H]1CC(C(=O)NCCCC2CCC2)=NO1 ZINC000852909706 588712836 /nfs/dbraw/zinc/71/28/36/588712836.db2.gz YBTBXKZHQVEREQ-JTQLQIEISA-N 0 3 239.319 0.787 20 0 BCADHN NC[C@@H]1CC(C(=O)NCCc2ccoc2)=NO1 ZINC000852907966 588712901 /nfs/dbraw/zinc/71/29/01/588712901.db2.gz QMQDMTJCHNYDRR-VIFPVBQESA-N 0 3 237.259 0.042 20 0 BCADHN O=C(NCc1ncccn1)C1(NC2CC2)CCC1 ZINC000852915567 588713017 /nfs/dbraw/zinc/71/30/17/588713017.db2.gz XGUKZRMVACHIHO-UHFFFAOYSA-N 0 3 246.314 0.768 20 0 BCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C=C2CCC2)n1 ZINC000852919386 588713395 /nfs/dbraw/zinc/71/33/95/588713395.db2.gz VNUPLKNGFLCTQW-UHFFFAOYSA-N 0 3 248.286 0.367 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC(=O)[C@@H](C)NC2CC2)C1 ZINC000852920321 588713438 /nfs/dbraw/zinc/71/34/38/588713438.db2.gz RBIKBTSBQDQNGG-NQMVMOMDSA-N 0 3 240.303 0.195 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC(NC(=O)OC)CC1 ZINC000852924778 588713679 /nfs/dbraw/zinc/71/36/79/588713679.db2.gz QSDDGSYRUDFVPE-SECBINFHSA-N 0 3 243.307 0.071 20 0 BCADHN CCNCC(=O)NCc1ccnn1CC ZINC000852927360 588713838 /nfs/dbraw/zinc/71/38/38/588713838.db2.gz LJZVWXNZZIJVCQ-UHFFFAOYSA-N 0 3 210.281 0.129 20 0 BCADHN C[C@@H](CN1CCCC1)OC(=O)[C@@H]1COC(=O)N1 ZINC000860849546 589124276 /nfs/dbraw/zinc/12/42/76/589124276.db2.gz VRBUQPGRORIQID-IUCAKERBSA-N 0 3 242.275 0.122 20 0 BCADHN C/C=C\CNC(=O)N[C@H]1CNCCC1(F)F ZINC000861646984 589172785 /nfs/dbraw/zinc/17/27/85/589172785.db2.gz XVEFJTOOFVXLEZ-KZUAUGPASA-N 0 3 233.262 0.859 20 0 BCADHN C/C=C\CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000861646987 589172805 /nfs/dbraw/zinc/17/28/05/589172805.db2.gz XVEFJTOOFVXLEZ-YAJNLLPGSA-N 0 3 233.262 0.859 20 0 BCADHN Cc1ccnn1CC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000861807881 589178698 /nfs/dbraw/zinc/17/86/98/589178698.db2.gz HFCQBNSWSVYEGT-NWDGAFQWSA-N 0 3 248.330 0.354 20 0 BCADHN CN(C)[C@@H]1[C@H]2CN(C(=O)c3cc(C=O)c[nH]3)C[C@H]21 ZINC000861911706 589183228 /nfs/dbraw/zinc/18/32/28/589183228.db2.gz DDNWXTACPNMFFW-IAZYJMLFSA-N 0 3 247.298 0.459 20 0 BCADHN Cc1c(F)nccc1CNCCOCCO ZINC000862264201 589197450 /nfs/dbraw/zinc/19/74/50/589197450.db2.gz IFCIROGBELXRRE-UHFFFAOYSA-N 0 3 228.267 0.628 20 0 BCADHN Cc1c(CNC[C@]2(O)CCOC2)ccnc1F ZINC000862291966 589200225 /nfs/dbraw/zinc/20/02/25/589200225.db2.gz VTLPXOPEVSGXIW-GFCCVEGCSA-N 0 3 240.278 0.770 20 0 BCADHN CCSCCN[C@@H](C)C(=O)N(C)OC ZINC000862538764 589218375 /nfs/dbraw/zinc/21/83/75/589218375.db2.gz FJKVMSVFWNYJIN-QMMMGPOBSA-N 0 3 220.338 0.737 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CSC[C@@H]1C ZINC000862538800 589218413 /nfs/dbraw/zinc/21/84/13/589218413.db2.gz FQVJVOAYFQJNQA-XHNCKOQMSA-N 0 3 232.349 0.736 20 0 BCADHN CC[C@@H](C(=O)NN1CCOC1=O)N(CC)CC ZINC000862700828 589233740 /nfs/dbraw/zinc/23/37/40/589233740.db2.gz YBMXOIFLWANTLA-VIFPVBQESA-N 0 3 243.307 0.590 20 0 BCADHN CONC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000119067367 589237439 /nfs/dbraw/zinc/23/74/39/589237439.db2.gz QOHGSTNFWKVOCR-NXEZZACHSA-N 0 3 229.324 0.967 20 0 BCADHN Cc1cc(NNC(=S)NC2CC2)ccn1 ZINC000863205665 589271338 /nfs/dbraw/zinc/27/13/38/589271338.db2.gz LGRSGBFXERUEJX-UHFFFAOYSA-N 0 3 222.317 0.765 20 0 BCADHN CCO[C@@]1(C)C[C@H]1NC(=S)NCCN(C)C ZINC000863220980 589272241 /nfs/dbraw/zinc/27/22/41/589272241.db2.gz CXAQHQLTRHUCLD-KOLCDFICSA-N 0 3 245.392 0.580 20 0 BCADHN CS[C@@H]1CC[C@@H](NC(=O)[C@H](C)N)C1 ZINC000119350858 589272713 /nfs/dbraw/zinc/27/27/13/589272713.db2.gz PCZFERZCXDYWQN-XLPZGREQSA-N 0 3 202.323 0.734 20 0 BCADHN CCCOCSc1nnnn1CCN(C)C ZINC000863291731 589276725 /nfs/dbraw/zinc/27/67/25/589276725.db2.gz MPOZDDSHNIODBJ-UHFFFAOYSA-N 0 3 245.352 0.711 20 0 BCADHN CC/C(C)=C\C(=O)NCCN1CC[C@@H](O)C1 ZINC000863318810 589279330 /nfs/dbraw/zinc/27/93/30/589279330.db2.gz WEFUMRBSAOFKSN-HIJJYWJESA-N 0 3 226.320 0.526 20 0 BCADHN CCC(=CC(=O)NCCN1CC[C@@H](O)C1)CC ZINC000863321991 589280010 /nfs/dbraw/zinc/28/00/10/589280010.db2.gz LAGJHADJUJGLPN-GFCCVEGCSA-N 0 3 240.347 0.916 20 0 BCADHN Clc1ccc(CNC[C@H]2COCCN2)cn1 ZINC000863486430 589293214 /nfs/dbraw/zinc/29/32/14/589293214.db2.gz ZOQWMEANSONROR-JTQLQIEISA-N 0 3 241.722 0.813 20 0 BCADHN C[C@H]1C(=O)N([C@H]2CCN(C)[C@@H](C)C2)C(=O)N1C ZINC000863504466 589295337 /nfs/dbraw/zinc/29/53/37/589295337.db2.gz OAVIARAULDWDIN-GUBZILKMSA-N 0 3 239.319 0.752 20 0 BCADHN c1[nH]nc2c1[C@@H](NC[C@H]1COCCN1)CCC2 ZINC000863545378 589297772 /nfs/dbraw/zinc/29/77/72/589297772.db2.gz PXXBGJNTKVFYMP-ONGXEEELSA-N 0 3 236.319 0.365 20 0 BCADHN c1[nH]nc2c1[C@H](NC[C@H]1COCCN1)CCC2 ZINC000863545375 589298074 /nfs/dbraw/zinc/29/80/74/589298074.db2.gz PXXBGJNTKVFYMP-GXSJLCMTSA-N 0 3 236.319 0.365 20 0 BCADHN CCS(=O)(=O)CCNCC[C@@H]1CCCOC1 ZINC000863562742 589299639 /nfs/dbraw/zinc/29/96/39/589299639.db2.gz LBQSRSKQZHJROY-NSHDSACASA-N 0 3 249.376 0.827 20 0 BCADHN CON(C)C(=O)CCNCc1ccc[nH]c1=O ZINC000863584852 589301803 /nfs/dbraw/zinc/30/18/03/589301803.db2.gz KJCQFNITZCXDBA-UHFFFAOYSA-N 0 3 239.275 0.287 20 0 BCADHN Cc1cncn1Cc1nc(N2CCNCC2)no1 ZINC000863676670 589310014 /nfs/dbraw/zinc/31/00/14/589310014.db2.gz GXDBGOLJGFGCAE-UHFFFAOYSA-N 0 3 248.290 0.032 20 0 BCADHN O=C(/C=C\c1ccc[nH]1)NCCN1CC[C@H](O)C1 ZINC000863833716 589321765 /nfs/dbraw/zinc/32/17/65/589321765.db2.gz UQQONUWHDMIZAQ-MVZIDQBPSA-N 0 3 249.314 0.211 20 0 BCADHN O=C(/C=C/C1CC1)NCCN1CC[C@H](O)C1 ZINC000863831573 589321939 /nfs/dbraw/zinc/32/19/39/589321939.db2.gz KVQINLGXHCOUOU-UFFNRZRYSA-N 0 3 224.304 0.135 20 0 BCADHN C/C(=C\C(=O)NCCN1CC[C@H](O)C1)C1CC1 ZINC000863831654 589322347 /nfs/dbraw/zinc/32/23/47/589322347.db2.gz LUAAVNLTAYVFKC-OANVXVOSSA-N 0 3 238.331 0.526 20 0 BCADHN C=CC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000863971113 589330295 /nfs/dbraw/zinc/33/02/95/589330295.db2.gz FSPLAFJOFYMQOQ-UHFFFAOYSA-N 0 3 224.304 0.496 20 0 BCADHN CC(C)(C)N1CC[C@H](NCc2cnc[nH]2)C1=O ZINC000864049828 589334378 /nfs/dbraw/zinc/33/43/78/589334378.db2.gz MBDWKGZXWMZVIM-JTQLQIEISA-N 0 3 236.319 0.899 20 0 BCADHN C[C@@H]1CC[C@@H](NCc2cnc[nH]2)CS1(=O)=O ZINC000864049864 589335074 /nfs/dbraw/zinc/33/50/74/589335074.db2.gz MYBJQSJQCMZOLK-RKDXNWHRSA-N 0 3 243.332 0.465 20 0 BCADHN C[C@@]12COC[C@H]1CN(Cc1ccc(N)nn1)C2 ZINC000864049895 589335232 /nfs/dbraw/zinc/33/52/32/589335232.db2.gz NYVAKVWEKCQGEL-BXKDBHETSA-N 0 3 234.303 0.527 20 0 BCADHN C[C@H]1CC[C@@H](NCc2cnc[nH]2)CS1(=O)=O ZINC000864049862 589335307 /nfs/dbraw/zinc/33/53/07/589335307.db2.gz MYBJQSJQCMZOLK-DTWKUNHWSA-N 0 3 243.332 0.465 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C23CCN(CC2)C3)[C@H](C)O1 ZINC000864063129 589337360 /nfs/dbraw/zinc/33/73/60/589337360.db2.gz IBMAAAWSWJNABC-OUAUKWLOSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C23CCN(CC2)C3)[C@H](C)O1 ZINC000864063136 589337463 /nfs/dbraw/zinc/33/74/63/589337463.db2.gz IBMAAAWSWJNABC-VWYCJHECSA-N 0 3 238.331 0.764 20 0 BCADHN CCO[C@@]1(C)C[C@H]1NC(=O)C12CCN(CC1)C2 ZINC000864073495 589339404 /nfs/dbraw/zinc/33/94/04/589339404.db2.gz QWMDWOZSFNQYBO-PWSUYJOCSA-N 0 3 238.331 0.766 20 0 BCADHN COCCN(CCOC)CC[C@H]1CCOC1=O ZINC000120042065 589363201 /nfs/dbraw/zinc/36/32/01/589363201.db2.gz LBVFNIAIKVMGDJ-NSHDSACASA-N 0 3 245.319 0.534 20 0 BCADHN CC(C)C[C@H](N)C(=O)Nc1ncnn1C ZINC000120137777 589382722 /nfs/dbraw/zinc/38/27/22/589382722.db2.gz XAROYAQPRLKRKO-ZETCQYMHSA-N 0 3 211.269 0.127 20 0 BCADHN CC[C@@](C)(N)c1cn(CCC(C)=O)nn1 ZINC000864643058 589387248 /nfs/dbraw/zinc/38/72/48/589387248.db2.gz HPSXXZXKUPVKFG-SNVBAGLBSA-N 0 3 210.281 0.841 20 0 BCADHN CC[C@](C)(N)c1cn(CCC(C)=O)nn1 ZINC000864643057 589387291 /nfs/dbraw/zinc/38/72/91/589387291.db2.gz HPSXXZXKUPVKFG-JTQLQIEISA-N 0 3 210.281 0.841 20 0 BCADHN Cc1ccc(-n2cc([C@@H](C)N)nn2)nc1 ZINC000864652056 589388100 /nfs/dbraw/zinc/38/81/00/589388100.db2.gz LQUMQNLZWIGUPT-MRVPVSSYSA-N 0 3 203.249 0.990 20 0 BCADHN O=C(NCCN1CCCCC1)[C@H]1CCC(=O)O1 ZINC000864878754 589399833 /nfs/dbraw/zinc/39/98/33/589399833.db2.gz ZDLQFVKUDMQOCQ-SNVBAGLBSA-N 0 3 240.303 0.294 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)O1)N(C)C1CC1 ZINC000865143410 589411048 /nfs/dbraw/zinc/41/10/48/589411048.db2.gz XHBZZTPUWATCOD-WCBMZHEXSA-N 0 3 240.303 0.291 20 0 BCADHN COC/C=C/C(=O)N(C)CCN1CCCC1 ZINC000865159695 589412086 /nfs/dbraw/zinc/41/20/86/589412086.db2.gz OANYLYMGALYGHJ-AATRIKPKSA-N 0 3 226.320 0.743 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)O1)N1CCCC1 ZINC000865176680 589412888 /nfs/dbraw/zinc/41/28/88/589412888.db2.gz WHRHQYIMFHOJBE-VHSXEESVSA-N 0 3 240.303 0.293 20 0 BCADHN COC/C=C/C(=O)N[C@H]1CCCN(C)C1 ZINC000865183885 589413221 /nfs/dbraw/zinc/41/32/21/589413221.db2.gz MVZSUVBDLZHRQW-RWCYGVJQSA-N 0 3 212.293 0.399 20 0 BCADHN COC/C=C\C(=O)N[C@H]1CCCN(C)C1 ZINC000865183884 589413392 /nfs/dbraw/zinc/41/33/92/589413392.db2.gz MVZSUVBDLZHRQW-OAQKJQOQSA-N 0 3 212.293 0.399 20 0 BCADHN C[C@@H]1C[C@@H](NC(=S)NCCN(C)C)[C@@H](C)O1 ZINC000865248104 589415460 /nfs/dbraw/zinc/41/54/60/589415460.db2.gz KUIWWGWMGBHCML-OPRDCNLKSA-N 0 3 245.392 0.578 20 0 BCADHN COC(C)(C)CCNC(=S)NCCN(C)C ZINC000865259698 589417068 /nfs/dbraw/zinc/41/70/68/589417068.db2.gz LYOMCXKRQPYAFV-UHFFFAOYSA-N 0 3 247.408 0.827 20 0 BCADHN Cn1ncc2cc(CNCC3(CO)CC3)cnc21 ZINC000865481467 589440201 /nfs/dbraw/zinc/44/02/01/589440201.db2.gz YMLLOZOKAKSUQF-UHFFFAOYSA-N 0 3 246.314 0.830 20 0 BCADHN CCOC(=O)N[C@@H]1CCCN(C[C@@H](C)CO)C1 ZINC000120629038 589446402 /nfs/dbraw/zinc/44/64/02/589446402.db2.gz YKLXXTQXDZVDBK-GHMZBOCLSA-N 0 3 244.335 0.825 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@H]2CCC(=O)O2)C1 ZINC000865609434 589450837 /nfs/dbraw/zinc/45/08/37/589450837.db2.gz LTZJZZGAMCLMPH-NXEZZACHSA-N 0 3 240.303 0.150 20 0 BCADHN Cn1cc(CN[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cn1 ZINC000865691637 589456284 /nfs/dbraw/zinc/45/62/84/589456284.db2.gz CVUNJZFHPOIAFF-OBPIAQAESA-N 0 3 233.315 0.933 20 0 BCADHN Cn1nncc1CN[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865695392 589456556 /nfs/dbraw/zinc/45/65/56/589456556.db2.gz YOSWMHCOXKEJLA-HKWYAPCNSA-N 0 3 234.303 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/nfs/dbraw/zinc/85/19/17/589851917.db2.gz OJFFKFQOJKTYIS-BBBLOLIVSA-N 0 3 201.310 0.991 20 0 BCADHN COC[C@@H](C)N1CCC(c2nnnn2C)CC1 ZINC000872095021 589869277 /nfs/dbraw/zinc/86/92/77/589869277.db2.gz QUHMSEDFOWRIAX-SECBINFHSA-N 0 3 239.323 0.424 20 0 BCADHN C[C@@H](N[C@@H]1CCOC[C@H]1O)c1ccccn1 ZINC000872141140 589881601 /nfs/dbraw/zinc/88/16/01/589881601.db2.gz NLQJKUJMZDBQFV-YUSALJHKSA-N 0 3 222.288 0.882 20 0 BCADHN Cc1cc(CNC[C@H](O)CC(C)(C)O)n[nH]1 ZINC000872202167 589890880 /nfs/dbraw/zinc/89/08/80/589890880.db2.gz XJMFXTALMAEKTQ-SNVBAGLBSA-N 0 3 227.308 0.330 20 0 BCADHN Cc1cc(CNC[C@H](O)CC(C)(C)O)[nH]n1 ZINC000872202167 589890882 /nfs/dbraw/zinc/89/08/82/589890882.db2.gz XJMFXTALMAEKTQ-SNVBAGLBSA-N 0 3 227.308 0.330 20 0 BCADHN CC(C)OC[C@H](O)CN[C@@H](C)C[S@](C)=O ZINC000872206603 589892027 /nfs/dbraw/zinc/89/20/27/589892027.db2.gz XOQGAWUTJANZIJ-WMFXKJRFSA-N 0 3 237.365 0.129 20 0 BCADHN CC(C)(O)C[C@H](O)CNC[C@H](O)C(F)(F)F ZINC000872213680 589894044 /nfs/dbraw/zinc/89/40/44/589894044.db2.gz WVVYXSTUMKVVQA-BQBZGAKWSA-N 0 3 245.241 0.021 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC[C@@H](O)CC(C)(C)O)C1 ZINC000872216059 589895187 /nfs/dbraw/zinc/89/51/87/589895187.db2.gz NEZOCDKEODVNDJ-GUBZILKMSA-N 0 3 245.319 0.050 20 0 BCADHN O[C@@H](CN[C@@H]1COC[C@@H]1O)c1cccc(F)c1 ZINC000872217764 589896052 /nfs/dbraw/zinc/89/60/52/589896052.db2.gz FPBCQVHRBOYHAL-WOPDTQHZSA-N 0 3 241.262 0.208 20 0 BCADHN CC(C)(O)C[C@@H](O)CNCC(C)(C)F ZINC000872216965 589896122 /nfs/dbraw/zinc/89/61/22/589896122.db2.gz KADABSLXIQQWGA-MRVPVSSYSA-N 0 3 207.289 0.846 20 0 BCADHN CS(=O)(=O)CCN[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000872222399 589896496 /nfs/dbraw/zinc/89/64/96/589896496.db2.gz UIFQSZSYPZOOIB-MFDAYCCISA-N 0 3 245.344 0.044 20 0 BCADHN O[C@@H](CN[C@H]1CCC[C@@H]1O)c1ccc(F)cn1 ZINC000872224800 589897133 /nfs/dbraw/zinc/89/71/33/589897133.db2.gz MJBPNZUDQOPIIX-DLOVCJGASA-N 0 3 240.278 0.757 20 0 BCADHN CC[C@H](C[C@@H](C)O)NC[C@H](C)S(C)(=O)=O ZINC000872240929 589899339 /nfs/dbraw/zinc/89/93/39/589899339.db2.gz KCHVAEIPVHDVOR-KXUCPTDWSA-N 0 3 237.365 0.559 20 0 BCADHN CCc1nn(C)cc1CNC[C@@H]1COCCO1 ZINC000124001153 589901571 /nfs/dbraw/zinc/90/15/71/589901571.db2.gz CBQFGMQFSIOPKV-LLVKDONJSA-N 0 3 239.319 0.488 20 0 BCADHN O=C(N1CCO[C@@H]2CCC[C@@H]21)[C@@]1(F)CCNC1 ZINC000872263216 589902343 /nfs/dbraw/zinc/90/23/43/589902343.db2.gz LFNSEZVWVTXGSP-HOSYDEDBSA-N 0 3 242.294 0.468 20 0 BCADHN CC[C@@H](C(=O)N1CCNCCC1(C)C)N(C)C ZINC000872299773 589902866 /nfs/dbraw/zinc/90/28/66/589902866.db2.gz BHBXCFWVKHKLTH-NSHDSACASA-N 0 3 241.379 0.927 20 0 BCADHN CC1(C)CCNCCN1C(=O)c1ncccn1 ZINC000872297627 589907946 /nfs/dbraw/zinc/90/79/46/589907946.db2.gz SYGSJPJGTFBDGO-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN CN(C)C1(C(=O)N2C[C@@H]3COC[C@@H]3C2)CCC1 ZINC000872315815 589909755 /nfs/dbraw/zinc/90/97/55/589909755.db2.gz LBGCVDILJZWQLT-PHIMTYICSA-N 0 3 238.331 0.576 20 0 BCADHN C[C@H](N)C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000019433863 589911628 /nfs/dbraw/zinc/91/16/28/589911628.db2.gz LVODPCZBIBHDCC-QMMMGPOBSA-N 0 3 247.298 0.865 20 0 BCADHN CCN1C[C@H](CN2C[C@@H]3COC[C@@H]3C2)OC1=O ZINC000872320173 589911746 /nfs/dbraw/zinc/91/17/46/589911746.db2.gz LLIHQLFSDSNSGU-AXFHLTTASA-N 0 3 240.303 0.405 20 0 BCADHN C[C@@H](CO)CN1CCN(C)c2ncccc2C1 ZINC000872318262 589911914 /nfs/dbraw/zinc/91/19/14/589911914.db2.gz OZFSWLOMIMWXTD-LLVKDONJSA-N 0 3 235.331 0.962 20 0 BCADHN CN(C)CCN(C)c1nc(N)nc(C(F)F)n1 ZINC000872470310 589942593 /nfs/dbraw/zinc/94/25/93/589942593.db2.gz IPVXBQXVWPQLJD-UHFFFAOYSA-N 0 3 246.265 0.389 20 0 BCADHN CC[S@](=O)CCNCc1c[nH]nc1C ZINC000124142189 589950638 /nfs/dbraw/zinc/95/06/38/589950638.db2.gz FTSUQLRTTJVKSZ-CQSZACIVSA-N 0 3 215.322 0.576 20 0 BCADHN C[S@](=O)CCNCc1ccc(C(N)=O)cc1 ZINC000124155409 589952402 /nfs/dbraw/zinc/95/24/02/589952402.db2.gz MCAFFLINIYRGIR-MRXNPFEDSA-N 0 3 240.328 0.254 20 0 BCADHN CC(C)[C@H]1CN(CN2CCC2=O)CCN1C ZINC000872736825 589966341 /nfs/dbraw/zinc/96/63/41/589966341.db2.gz FOKFJLJROTVGIE-LLVKDONJSA-N 0 3 225.336 0.448 20 0 BCADHN Cc1cnc(N2C[C@@H]3CCCN3C[C@@H]2CO)nc1 ZINC000872757658 589966447 /nfs/dbraw/zinc/96/64/47/589966447.db2.gz ISKSBXMIXHXQRS-NWDGAFQWSA-N 0 3 248.330 0.430 20 0 BCADHN C[C@@H]1CN(CN2C[C@@H]3COC[C@@H]3C2)C(=O)[C@H]1C ZINC000872786346 589970568 /nfs/dbraw/zinc/97/05/68/589970568.db2.gz ZPOYJJLWZCISJL-KXNHARMFSA-N 0 3 238.331 0.637 20 0 BCADHN O=C1CC[C@@H](NCc2cccnc2F)CCN1 ZINC000873118757 589984800 /nfs/dbraw/zinc/98/48/00/589984800.db2.gz SMYVUWPOAXYNQC-SNVBAGLBSA-N 0 3 237.278 0.979 20 0 BCADHN COC[C@@H](O)CNCc1ccc2nccnc2c1 ZINC000873121014 589985152 /nfs/dbraw/zinc/98/51/52/589985152.db2.gz CLDGDKLUWYWPSC-NSHDSACASA-N 0 3 247.298 0.727 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1ccc2nccnc2c1 ZINC000873149500 589986879 /nfs/dbraw/zinc/98/68/79/589986879.db2.gz PMPMVGGBTRCSTQ-TVQRCGJNSA-N 0 3 247.298 0.461 20 0 BCADHN C[C@H](O)C(C)(C)NCc1cnc(N)cn1 ZINC000873207062 589993577 /nfs/dbraw/zinc/99/35/77/589993577.db2.gz PREFAINEVUXRDC-ZETCQYMHSA-N 0 3 210.281 0.308 20 0 BCADHN CC[C@@]1(CO)CCCN1Cc1cnc(N)cn1 ZINC000873208299 589994118 /nfs/dbraw/zinc/99/41/18/589994118.db2.gz LZCZUPLVTYXYII-LBPRGKRZSA-N 0 3 236.319 0.796 20 0 BCADHN C[C@@H]1[C@@H](C)N(Cc2cnc(N)cn2)CCN1C ZINC000873209605 589994575 /nfs/dbraw/zinc/99/45/75/589994575.db2.gz QFPDEQROSFFRAQ-NXEZZACHSA-N 0 3 235.335 0.583 20 0 BCADHN C[C@H]1CN(Cc2cnc(N)cn2)[C@@H](C)CN1C ZINC000873208846 589994814 /nfs/dbraw/zinc/99/48/14/589994814.db2.gz VUDTYXUMAKWHQG-UWVGGRQHSA-N 0 3 235.335 0.583 20 0 BCADHN Cc1nonc1CN[C@H](C)C[C@@H]1COCCN1 ZINC000873296063 590024000 /nfs/dbraw/zinc/02/40/00/590024000.db2.gz UXKWGXXIYRXUQD-PSASIEDQSA-N 0 3 240.307 0.235 20 0 BCADHN CN(C)CCNC(=O)c1c(F)cncc1F ZINC000873735702 590069995 /nfs/dbraw/zinc/06/99/95/590069995.db2.gz QTBMXSKXUJXPOE-UHFFFAOYSA-N 0 3 229.230 0.651 20 0 BCADHN O=C(NCCN1CCCCCC1)[C@H]1C[C@@H](O)C1 ZINC000873985917 590083266 /nfs/dbraw/zinc/08/32/66/590083266.db2.gz GCNKJLHXLNBNAD-TXEJJXNPSA-N 0 3 240.347 0.750 20 0 BCADHN O=C(CN1CCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000874189569 590096615 /nfs/dbraw/zinc/09/66/15/590096615.db2.gz ZDBZFQUROVORPK-LLVKDONJSA-N 0 3 237.347 0.435 20 0 BCADHN C(CN1CCC2(C1)OCCO2)C1OCCO1 ZINC000124926001 590102160 /nfs/dbraw/zinc/10/21/60/590102160.db2.gz CIJLKBUVGYRVPY-UHFFFAOYSA-N 0 3 229.276 0.198 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000874300737 590102819 /nfs/dbraw/zinc/10/28/19/590102819.db2.gz ACSYKWIMVDDBGU-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN COC(OC)C(=O)N1CCCN(C(C)C)CC1 ZINC000874329567 590104665 /nfs/dbraw/zinc/10/46/65/590104665.db2.gz UARNBSSCRKGDQM-UHFFFAOYSA-N 0 3 244.335 0.548 20 0 BCADHN COC(OC)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000874446074 590110900 /nfs/dbraw/zinc/11/09/00/590110900.db2.gz WKMVILXWANLVGJ-JTQLQIEISA-N 0 3 242.319 0.206 20 0 BCADHN CN1CC[C@H](CC(=O)NCCC[S@@](C)=O)C1 ZINC000874451891 590112196 /nfs/dbraw/zinc/11/21/96/590112196.db2.gz FKWXCUKLWHYMKN-QLJPJBMISA-N 0 3 246.376 0.213 20 0 BCADHN CC[C@H](C(=O)NCC(=O)OCC1CC1)N(C)C ZINC000125063678 590116919 /nfs/dbraw/zinc/11/69/19/590116919.db2.gz CEAGNJFDXOSXKH-SNVBAGLBSA-N 0 3 242.319 0.396 20 0 BCADHN O=C(CN1CCNCC1)N1CCCCCCC1 ZINC000020521366 590118622 /nfs/dbraw/zinc/11/86/22/590118622.db2.gz GDYTZYMSSCXWLV-UHFFFAOYSA-N 0 3 239.363 0.684 20 0 BCADHN O=C(N[C@@H]1CC12CCC2)[C@H]1CN2CCN1CCC2 ZINC000874786132 590135580 /nfs/dbraw/zinc/13/55/80/590135580.db2.gz YJNIGDDHUKJBGP-VXGBXAGGSA-N 0 3 249.358 0.435 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCCN2C)N(C)C ZINC000874822166 590141123 /nfs/dbraw/zinc/14/11/23/590141123.db2.gz GKIBRNVPZUCDEM-UTUOFQBUSA-N 0 3 239.363 0.632 20 0 BCADHN COC1(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)CC1 ZINC000874827010 590142060 /nfs/dbraw/zinc/14/20/60/590142060.db2.gz XXNZCUBBMSWTLT-QWRGUYRKSA-N 0 3 238.331 0.861 20 0 BCADHN Cn1cncc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874828049 590142851 /nfs/dbraw/zinc/14/28/51/590142851.db2.gz FXGBTJUZZSGTTF-GHMZBOCLSA-N 0 3 248.330 0.729 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1ccnc1 ZINC000874830021 590142864 /nfs/dbraw/zinc/14/28/64/590142864.db2.gz PSTQZAZHHQRZDI-VXGBXAGGSA-N 0 3 248.330 0.578 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccon1 ZINC000874837770 590143234 /nfs/dbraw/zinc/14/32/34/590143234.db2.gz LECHUGOPSOKBIL-NEPJUHHUSA-N 0 3 249.314 0.912 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ncc[nH]1 ZINC000874831276 590143379 /nfs/dbraw/zinc/14/33/79/590143379.db2.gz YYWSYVCXUOHKFB-WDEREUQCSA-N 0 3 248.330 0.647 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1cccn1 ZINC000874844554 590144925 /nfs/dbraw/zinc/14/49/25/590144925.db2.gz CAKNNCJUVCFKSZ-VXGBXAGGSA-N 0 3 248.330 0.578 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)C1=COCC1 ZINC000874840125 590145075 /nfs/dbraw/zinc/14/50/75/590145075.db2.gz KDFTUGSJLGECRE-RYUDHWBXSA-N 0 3 236.315 0.986 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cccn1 ZINC000874844552 590145171 /nfs/dbraw/zinc/14/51/71/590145171.db2.gz CAKNNCJUVCFKSZ-NWDGAFQWSA-N 0 3 248.330 0.578 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](C(C)(C)O)C1 ZINC000874882220 590153002 /nfs/dbraw/zinc/15/30/02/590153002.db2.gz ZUDWLISMIXWPRA-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CCOCCN(C)CCC1OCCO1 ZINC000125335351 590162136 /nfs/dbraw/zinc/16/21/36/590162136.db2.gz QJXMHMVHNLPOBF-UHFFFAOYSA-N 0 3 203.282 0.718 20 0 BCADHN CC[C@H](C[C@H](C)O)NC(=O)NC[C@H](C)N(C)C ZINC000875645540 590167386 /nfs/dbraw/zinc/16/73/86/590167386.db2.gz XKRCTXLTWUHCMJ-GARJFASQSA-N 0 3 245.367 0.785 20 0 BCADHN C[C@@H](CNC(=O)NC[C@H]1C[C@H](O)C1)N(C)C ZINC000875644533 590167478 /nfs/dbraw/zinc/16/74/78/590167478.db2.gz IYCMZVLIWAWYFD-GUBZILKMSA-N 0 3 229.324 0.007 20 0 BCADHN CN1CCC[C@H](CNC(=O)Nc2ncccn2)C1 ZINC000888680365 590172658 /nfs/dbraw/zinc/17/26/58/590172658.db2.gz IBTXCALUISAKQY-SNVBAGLBSA-N 0 3 249.318 0.940 20 0 BCADHN CN1CCC[C@H]1CNC(=O)Nc1ncccn1 ZINC000888680403 590172766 /nfs/dbraw/zinc/17/27/66/590172766.db2.gz JABPPCFFDGWJIB-VIFPVBQESA-N 0 3 235.291 0.692 20 0 BCADHN C[C@@]1(C(=O)Nc2cccc(CN)c2)CCC(=O)N1 ZINC000876504876 590204256 /nfs/dbraw/zinc/20/42/56/590204256.db2.gz AALRPPDSHWBFNA-ZDUSSCGKSA-N 0 3 247.298 0.753 20 0 BCADHN C[NH2+]CCNC(=O)c1c(Cl)n[n-]c1C1CC1 ZINC000876520643 590207294 /nfs/dbraw/zinc/20/72/94/590207294.db2.gz MQHPCPODVGPODM-UHFFFAOYSA-N 0 3 242.710 0.890 20 0 BCADHN N[C@H](CNC(=O)[C@H]1CCC(=O)O1)c1ccccc1 ZINC000876524376 590208022 /nfs/dbraw/zinc/20/80/22/590208022.db2.gz PHSUAPXSKHVVAQ-GHMZBOCLSA-N 0 3 248.282 0.508 20 0 BCADHN CCNC(=S)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000126002348 590213357 /nfs/dbraw/zinc/21/33/57/590213357.db2.gz LSPBMHYENGMRKM-RKDXNWHRSA-N 0 3 215.366 0.953 20 0 BCADHN C[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CN(C)C)[C@@H]1C ZINC000876550263 590214667 /nfs/dbraw/zinc/21/46/67/590214667.db2.gz VLDPTWBBRNLHSA-WISYIIOYSA-N 0 3 241.379 0.816 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)[C@H]1CCCCNC1=O ZINC000876631344 590223393 /nfs/dbraw/zinc/22/33/93/590223393.db2.gz IERRDYQTAUXGRF-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN C[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H](N)CN(C)C ZINC000876634923 590224552 /nfs/dbraw/zinc/22/45/52/590224552.db2.gz GXMIMAUMSYFFSA-AXFHLTTASA-N 0 3 227.352 0.522 20 0 BCADHN CC[C@@](C)(CN1CCCNC(=O)C1)OC ZINC000876639852 590224868 /nfs/dbraw/zinc/22/48/68/590224868.db2.gz KHTBZRCFBCRNCI-NSHDSACASA-N 0 3 214.309 0.623 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@H](C)NCC ZINC000876652408 590226125 /nfs/dbraw/zinc/22/61/25/590226125.db2.gz IKJVTSGOMCWFHI-VIFPVBQESA-N 0 3 230.308 0.444 20 0 BCADHN CC[C@H]1CCC[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876695615 590231042 /nfs/dbraw/zinc/23/10/42/590231042.db2.gz CSZFLCXVZQLIAB-GARJFASQSA-N 0 3 227.352 0.570 20 0 BCADHN CO[N-]C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000876705940 590232074 /nfs/dbraw/zinc/23/20/74/590232074.db2.gz DTGASOTXWKOHRX-UHFFFAOYSA-N 0 3 220.272 0.552 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCNc2ccccc21 ZINC000876852337 590249634 /nfs/dbraw/zinc/24/96/34/590249634.db2.gz VXZLZXQLDSWMNZ-JTQLQIEISA-N 0 3 248.330 0.334 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)C1(F)CCOCC1 ZINC000876855981 590249984 /nfs/dbraw/zinc/24/99/84/590249984.db2.gz IEXVXVYTIGEFAJ-IUCAKERBSA-N 0 3 248.273 0.321 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)c1cccnn1 ZINC000876865006 590251155 /nfs/dbraw/zinc/25/11/55/590251155.db2.gz TWNSICNQISGDBW-MRVPVSSYSA-N 0 3 242.229 0.204 20 0 BCADHN O=C(Nc1ccc2c(c1)CNC2)[C@@H]1COC(=O)N1 ZINC000876867494 590251474 /nfs/dbraw/zinc/25/14/74/590251474.db2.gz XDUVWXWSKKZBAZ-JTQLQIEISA-N 0 3 247.254 0.337 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NC/C=C\c1ccccc1 ZINC000876943566 590259610 /nfs/dbraw/zinc/25/96/10/590259610.db2.gz SAGXBGMZNNPSSJ-ACOKAEEESA-N 0 3 246.310 0.932 20 0 BCADHN CC/C=C(\F)C(=O)N1CCOC2(CNC2)C1 ZINC000876985148 590264673 /nfs/dbraw/zinc/26/46/73/590264673.db2.gz UUMHABAPCGKALU-OQFOIZHKSA-N 0 3 228.267 0.451 20 0 BCADHN COC1CCC(NC(=O)[C@]2(F)CCNC2)CC1 ZINC000876986750 590265168 /nfs/dbraw/zinc/26/51/68/590265168.db2.gz LMECKBRFHULLHC-CBINBANVSA-N 0 3 244.310 0.762 20 0 BCADHN COC1CCC(NC(=O)[C@@]2(F)CCNC2)CC1 ZINC000876986842 590265382 /nfs/dbraw/zinc/26/53/82/590265382.db2.gz LMECKBRFHULLHC-RTYFJBAXSA-N 0 3 244.310 0.762 20 0 BCADHN CC1(C)OC[C@@H]2C[C@@]21NC(=O)[C@]1(F)CCNC1 ZINC000877004805 590267802 /nfs/dbraw/zinc/26/78/02/590267802.db2.gz SFAWJLYNVJHDDT-KPXOXKRLSA-N 0 3 242.294 0.372 20 0 BCADHN Cn1cc([C@@H](O)CNCc2ccns2)cn1 ZINC000877072941 590277895 /nfs/dbraw/zinc/27/78/95/590277895.db2.gz YJFHDRLDBPVEJT-JTQLQIEISA-N 0 3 238.316 0.700 20 0 BCADHN Clc1ccc(CNCCN2CCC2)nn1 ZINC000877112985 590287452 /nfs/dbraw/zinc/28/74/52/590287452.db2.gz WWNLFIPJWVKYSP-UHFFFAOYSA-N 0 3 226.711 0.925 20 0 BCADHN CCNCC(=O)N1CCCC[C@@H]1CNC(C)=O ZINC000877119042 590288357 /nfs/dbraw/zinc/28/83/57/590288357.db2.gz SLJFIPGBIKWQAA-LLVKDONJSA-N 0 3 241.335 0.113 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000877118161 590288416 /nfs/dbraw/zinc/28/84/16/590288416.db2.gz OUXDNJUBIGGHNU-WCABBAIRSA-N 0 3 230.283 0.229 20 0 BCADHN CO[C@@]1(CNCC2(C)OCCO2)CCOC1 ZINC000877118375 590288607 /nfs/dbraw/zinc/28/86/07/590288607.db2.gz ZOAJAJJSKDALBY-LLVKDONJSA-N 0 3 231.292 0.145 20 0 BCADHN COc1cncc(NC(=O)[C@]2(F)CCNC2)c1 ZINC000877131603 590290454 /nfs/dbraw/zinc/29/04/54/590290454.db2.gz FMHUODBLMXYCBJ-NSHDSACASA-N 0 3 239.250 0.730 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cncc(OC)c1 ZINC000877131841 590290480 /nfs/dbraw/zinc/29/04/80/590290480.db2.gz MHXGTNGBCORRJY-ZETCQYMHSA-N 0 3 209.249 0.637 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cccc(-n2nccn2)c1 ZINC000877140220 590291550 /nfs/dbraw/zinc/29/15/50/590291550.db2.gz BPEFAOVDNHFAMG-LLVKDONJSA-N 0 3 245.286 0.943 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)NC1CC1)c1nccc(N)n1 ZINC000877145139 590292093 /nfs/dbraw/zinc/29/20/93/590292093.db2.gz DMGQDMHJKSSKET-SFYZADRCSA-N 0 3 249.318 0.377 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877176177 590296542 /nfs/dbraw/zinc/29/65/42/590296542.db2.gz CCZAYTMNTLOTRB-NCKSRDSBSA-N 0 3 238.331 0.509 20 0 BCADHN CCNCC(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877176199 590296598 /nfs/dbraw/zinc/29/65/98/590296598.db2.gz CHWOUPOCEMYCJJ-VXIZUSDNSA-N 0 3 224.304 0.136 20 0 BCADHN CCNCC(=O)N[C@@H]1CCCC[C@@H]1F ZINC000877179329 590297627 /nfs/dbraw/zinc/29/76/27/590297627.db2.gz RPJVRLSXTUAFCI-DTWKUNHWSA-N 0 3 202.273 0.993 20 0 BCADHN NC[C@@H]1CC(C(=O)N[C@]23C[C@H]2CCCC3)=NO1 ZINC000877195893 590299370 /nfs/dbraw/zinc/29/93/70/590299370.db2.gz QYZVBJATSRGGRN-VDDIYKPWSA-N 0 3 237.303 0.539 20 0 BCADHN CNCC(=O)N1CCCCCCNC(=O)CC1 ZINC000877193920 590299661 /nfs/dbraw/zinc/29/96/61/590299661.db2.gz UICNDIBWCQJUMJ-UHFFFAOYSA-N 0 3 241.335 0.115 20 0 BCADHN CCNCC(=O)NCc1cccc2c1CCOC2 ZINC000877202754 590300332 /nfs/dbraw/zinc/30/03/32/590300332.db2.gz GCBMAXDFTHNISA-UHFFFAOYSA-N 0 3 248.326 0.985 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1ccnc(F)c1 ZINC000877201036 590300348 /nfs/dbraw/zinc/30/03/48/590300348.db2.gz BQZQSGBUGUUVBG-QMMMGPOBSA-N 0 3 225.267 0.835 20 0 BCADHN O=C(CNC1CC1)NCc1ccnc(F)c1 ZINC000877202642 590300525 /nfs/dbraw/zinc/30/05/25/590300525.db2.gz ZXVZYBWEJVSSIN-UHFFFAOYSA-N 0 3 223.251 0.589 20 0 BCADHN CCNCC(=O)Nc1c2c(nn1C)CCCC2 ZINC000877200963 590300684 /nfs/dbraw/zinc/30/06/84/590300684.db2.gz SXAQHQGPACICKB-UHFFFAOYSA-N 0 3 236.319 0.847 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccnc(F)c1 ZINC000877201557 590300708 /nfs/dbraw/zinc/30/07/08/590300708.db2.gz JTCTYLYWVZYKLI-ZETCQYMHSA-N 0 3 211.240 0.445 20 0 BCADHN C[C@@H](CC1CCC1)NC(=O)C1=NO[C@H](CN)C1 ZINC000877204635 590300816 /nfs/dbraw/zinc/30/08/16/590300816.db2.gz KGQLOSAWZGVUJS-WPRPVWTQSA-N 0 3 239.319 0.785 20 0 BCADHN C[C@H](CC1CCC1)NC(=O)C1=NO[C@H](CN)C1 ZINC000877204633 590301038 /nfs/dbraw/zinc/30/10/38/590301038.db2.gz KGQLOSAWZGVUJS-SCZZXKLOSA-N 0 3 239.319 0.785 20 0 BCADHN CC(C)(N)C(=O)N1CCOc2cc(N)ccc2C1 ZINC000877209784 590301042 /nfs/dbraw/zinc/30/10/42/590301042.db2.gz PPSDWDJWNYDCLZ-UHFFFAOYSA-N 0 3 249.314 0.727 20 0 BCADHN CNCC(=O)NCc1noc2ccc(F)cc21 ZINC000877230623 590301572 /nfs/dbraw/zinc/30/15/72/590301572.db2.gz BFBZYDOSYTTYPO-UHFFFAOYSA-N 0 3 237.234 0.803 20 0 BCADHN C[C@H](N)C(=O)NCc1noc2ccc(F)cc12 ZINC000877233165 590301839 /nfs/dbraw/zinc/30/18/39/590301839.db2.gz XAGXDLJAIXLURL-LURJTMIESA-N 0 3 237.234 0.930 20 0 BCADHN CC1(C)C[C@@H](O)CN(C(=O)[C@@H]2CCCCN2)C1 ZINC000877249607 590303774 /nfs/dbraw/zinc/30/37/74/590303774.db2.gz ALERYCWVLDZEMB-MNOVXSKESA-N 0 3 240.347 0.748 20 0 BCADHN NCC(=O)N1CC[C@H]2CSC[C@H]2C1 ZINC000877249167 590303810 /nfs/dbraw/zinc/30/38/10/590303810.db2.gz IMABZDICCBDBLV-JGVFFNPUSA-N 0 3 200.307 0.157 20 0 BCADHN C[C@H](NC(=O)C1(N)CCCC1)c1ccnn1C ZINC000877263837 590304538 /nfs/dbraw/zinc/30/45/38/590304538.db2.gz DJYFVGWLNUCWRB-VIFPVBQESA-N 0 3 236.319 0.869 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CCCCN1)c1ccnn1C ZINC000877263879 590304563 /nfs/dbraw/zinc/30/45/63/590304563.db2.gz FRMGNXDRUZXZOF-UWVGGRQHSA-N 0 3 236.319 0.739 20 0 BCADHN C[C@@H](NC(=O)CN)c1cc2cnccc2o1 ZINC000877269271 590305187 /nfs/dbraw/zinc/30/51/87/590305187.db2.gz CVLGNCUIVWEBKK-SSDOTTSWSA-N 0 3 219.244 0.964 20 0 BCADHN O=C(NCCOC(F)(F)F)[C@@]1(F)CCNC1 ZINC000877293447 590307761 /nfs/dbraw/zinc/30/77/61/590307761.db2.gz MTEUNBFHSNOADE-SSDOTTSWSA-N 0 3 244.188 0.341 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCn2nccc21 ZINC000877294014 590308017 /nfs/dbraw/zinc/30/80/17/590308017.db2.gz ZRBSAYQQRCUEMS-QMMMGPOBSA-N 0 3 220.276 0.370 20 0 BCADHN CC[C@H](NC)C(=O)N1CCC(C(C)=O)CC1 ZINC000877298554 590308064 /nfs/dbraw/zinc/30/80/64/590308064.db2.gz BLSPHQOACXMWEK-NSHDSACASA-N 0 3 226.320 0.812 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877300731 590308843 /nfs/dbraw/zinc/30/88/43/590308843.db2.gz ZLCULAYDBVAMMO-JGVFFNPUSA-N 0 3 236.262 0.477 20 0 BCADHN CNCC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877310243 590312019 /nfs/dbraw/zinc/31/20/19/590312019.db2.gz JFIXFQTVRQXBOG-UTLUCORTSA-N 0 3 212.293 0.280 20 0 BCADHN CNCC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877310241 590312041 /nfs/dbraw/zinc/31/20/41/590312041.db2.gz JFIXFQTVRQXBOG-KXUCPTDWSA-N 0 3 212.293 0.280 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877310910 590312422 /nfs/dbraw/zinc/31/24/22/590312422.db2.gz SQEDIWUXKBMTAF-VPOLOUISSA-N 0 3 226.320 0.798 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877310852 590312428 /nfs/dbraw/zinc/31/24/28/590312428.db2.gz SQEDIWUXKBMTAF-LMLFDSFASA-N 0 3 226.320 0.798 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCC[C@@H]1CCOC1=O ZINC000877311605 590313429 /nfs/dbraw/zinc/31/34/29/590313429.db2.gz KWCYITBMFVCWIE-NXEZZACHSA-N 0 3 242.319 0.429 20 0 BCADHN OC[C@@]1(NC[C@H]2CC2(Cl)Cl)CCOC1 ZINC000877337290 590317831 /nfs/dbraw/zinc/31/78/31/590317831.db2.gz XMUOMGYBHNXKPO-SFYZADRCSA-N 0 3 240.130 0.921 20 0 BCADHN COC(=O)CC[C@H]1CCCN(C(=O)[C@@H](C)N)C1 ZINC000877382032 590320583 /nfs/dbraw/zinc/32/05/83/590320583.db2.gz MFVXUVJDTRFYLZ-NXEZZACHSA-N 0 3 242.319 0.525 20 0 BCADHN O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cc(=O)[n-]cn1 ZINC000877386181 590320925 /nfs/dbraw/zinc/32/09/25/590320925.db2.gz PQVLWKVKAZSAPT-JOYOIKCWSA-N 0 3 248.286 0.197 20 0 BCADHN Cc1nccnc1[C@@H](C)NC(=O)CNC(C)C ZINC000877431432 590325943 /nfs/dbraw/zinc/32/59/43/590325943.db2.gz FWHINRHSKBRUCO-SNVBAGLBSA-N 0 3 236.319 0.960 20 0 BCADHN C[C@@H](N[C@@H](C)CCc1cccnc1)C(N)=O ZINC000877481162 590337225 /nfs/dbraw/zinc/33/72/25/590337225.db2.gz WVNOLUVMNUDPTG-VHSXEESVSA-N 0 3 221.304 0.866 20 0 BCADHN COC[C@@H](CO)NC[C@@H]1CC1(Cl)Cl ZINC000877491557 590340231 /nfs/dbraw/zinc/34/02/31/590340231.db2.gz MMLYSZVMJQUYAZ-NKWVEPMBSA-N 0 3 228.119 0.777 20 0 BCADHN COC[C@@H](O)CNCc1cccc(F)c1N ZINC000877505084 590343250 /nfs/dbraw/zinc/34/32/50/590343250.db2.gz PCOYXAUQKKVFBX-VIFPVBQESA-N 0 3 228.267 0.505 20 0 BCADHN O[C@@H](CNCc1ccc(Cl)nn1)C1CC1 ZINC000877526983 590345420 /nfs/dbraw/zinc/34/54/20/590345420.db2.gz WZGKKRWFEUWBCK-VIFPVBQESA-N 0 3 227.695 0.991 20 0 BCADHN C[C@H](NCc1cnnn1C)[C@@H]1CC1(F)F ZINC000877534392 590348690 /nfs/dbraw/zinc/34/86/90/590348690.db2.gz HRUSSZJOIJGVRC-XPUUQOCRSA-N 0 3 216.235 0.948 20 0 BCADHN CCCn1cc(CN2CC[C@H]3CN(C)C[C@H]32)nn1 ZINC000877547094 590352752 /nfs/dbraw/zinc/35/27/52/590352752.db2.gz QMNVLTWDSXGQJG-WCQYABFASA-N 0 3 249.362 0.824 20 0 BCADHN C[C@@H]1[C@H](O)CCN1Cc1cnc2c(cnn2C)c1 ZINC000877571558 590362621 /nfs/dbraw/zinc/36/26/21/590362621.db2.gz DFYLVVAGGLSLMX-BXKDBHETSA-N 0 3 246.314 0.923 20 0 BCADHN CCC[C@H](CNCCS(=O)(=O)C1CC1)OC ZINC000877591261 590369261 /nfs/dbraw/zinc/36/92/61/590369261.db2.gz QPEQEPNHIYIMEP-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN CCN(OC)C(=O)CNCCC[C@H]1CCO1 ZINC000877606726 590372141 /nfs/dbraw/zinc/37/21/41/590372141.db2.gz JGJDITJJVCSIGJ-JTQLQIEISA-N 0 3 230.308 0.555 20 0 BCADHN CCOC1CC(CNCC(=O)N(C)OCC)C1 ZINC000877612554 590373003 /nfs/dbraw/zinc/37/30/03/590373003.db2.gz RJPICVPFISGPLL-UHFFFAOYSA-N 0 3 244.335 0.801 20 0 BCADHN CCON(C)C(=O)CNCC1(COC)CCC1 ZINC000877612825 590373061 /nfs/dbraw/zinc/37/30/61/590373061.db2.gz XLHAKQURDHTFEI-UHFFFAOYSA-N 0 3 244.335 0.803 20 0 BCADHN CN(Cc1cnc2c(cnn2C)c1)C1(CO)CC1 ZINC000877642500 590382829 /nfs/dbraw/zinc/38/28/29/590382829.db2.gz XTEYEQQCPQYGHI-UHFFFAOYSA-N 0 3 246.314 0.925 20 0 BCADHN C/C=C\CNCc1cccc(S(N)(=O)=O)c1 ZINC000877658330 590386122 /nfs/dbraw/zinc/38/61/22/590386122.db2.gz XJXOVVJHEBGFJY-IHWYPQMZSA-N 0 3 240.328 1.000 20 0 BCADHN CC[C@](C)(CN[C@@H](C)C(=O)N(C)OC)OC ZINC000877661283 590386879 /nfs/dbraw/zinc/38/68/79/590386879.db2.gz YGERINUSIUZZMQ-GXSJLCMTSA-N 0 3 232.324 0.799 20 0 BCADHN CCn1ncc(CN(C)[C@H]2CN3CCC2CC3)n1 ZINC000877705999 590397618 /nfs/dbraw/zinc/39/76/18/590397618.db2.gz DABICDMFBHCDEP-ZDUSSCGKSA-N 0 3 249.362 0.824 20 0 BCADHN COC(=O)C1CC(NCc2cnn(C)c2)C1 ZINC000877721463 590401221 /nfs/dbraw/zinc/40/12/21/590401221.db2.gz YXLSBVJLLPBCQW-UHFFFAOYSA-N 0 3 223.276 0.461 20 0 BCADHN COC(=O)C1CC(NCc2cn[nH]c2)C1 ZINC000877721675 590401706 /nfs/dbraw/zinc/40/17/06/590401706.db2.gz YEONRKGWVNYFTF-UHFFFAOYSA-N 0 3 209.249 0.451 20 0 BCADHN Cc1ccc(CN2CC[C@@H](O)[C@@H](O)C2)s1 ZINC000877748436 590413203 /nfs/dbraw/zinc/41/32/03/590413203.db2.gz BFMSEWPQCICAKD-MNOVXSKESA-N 0 3 227.329 0.984 20 0 BCADHN Cc1ccc(CN2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000877748626 590413341 /nfs/dbraw/zinc/41/33/41/590413341.db2.gz HXBFJWRCVSIYSA-OLZOCXBDSA-N 0 3 221.300 0.923 20 0 BCADHN CCC[C@@H](CN1CC[C@@H](O)[C@@H](O)C1)OC ZINC000877750481 590414813 /nfs/dbraw/zinc/41/48/13/590414813.db2.gz QKYVFDBIDMHJSD-AXFHLTTASA-N 0 3 217.309 0.229 20 0 BCADHN OC[C@H]1CN(CC2(F)CC2)C[C@H]1CO ZINC000877764936 590420156 /nfs/dbraw/zinc/42/01/56/590420156.db2.gz OXHMXFZNTSGYKC-DTORHVGOSA-N 0 3 203.257 0.021 20 0 BCADHN CO[C@H](C)CN1CCC(c2nnnn2C)CC1 ZINC000877780901 590423842 /nfs/dbraw/zinc/42/38/42/590423842.db2.gz JVYSUVCPHVYKHU-SECBINFHSA-N 0 3 239.323 0.424 20 0 BCADHN CO[N-]C(=O)C1CC[NH+](C[C@H](C)OC)CC1 ZINC000877786167 590423888 /nfs/dbraw/zinc/42/38/88/590423888.db2.gz XLAYFVGDOXJDCV-VIFPVBQESA-N 0 3 230.308 0.411 20 0 BCADHN CCS(=O)(=O)CCN(C)[C@H](CN)C1CC1 ZINC000126747410 590432207 /nfs/dbraw/zinc/43/22/07/590432207.db2.gz AJBDFIOTUOSHIA-SNVBAGLBSA-N 0 3 234.365 0.090 20 0 BCADHN CCC[C@@H]1NC(=O)N(C[C@H](C)N(C)C)C1=O ZINC000877873984 590434363 /nfs/dbraw/zinc/43/43/63/590434363.db2.gz DKKRESCTMCXFOU-IUCAKERBSA-N 0 3 227.308 0.657 20 0 BCADHN C[C@@H](CN1C(=O)[C@H]2CCCN2C1=O)N(C)C ZINC000877875691 590435295 /nfs/dbraw/zinc/43/52/95/590435295.db2.gz YGXBBZVTQSPJIG-DTWKUNHWSA-N 0 3 225.292 0.363 20 0 BCADHN C=C/C=C\CCN1C(C)C(=O)N(C)S1(=O)=O ZINC000877889674 590440328 /nfs/dbraw/zinc/44/03/28/590440328.db2.gz KSVDIEXDDURREL-SSJHQANKSA-N 0 3 244.316 0.526 20 0 BCADHN CCNC(=O)CN(CC)C[C@H]1C[C@@H](OC)C1 ZINC000877920873 590447131 /nfs/dbraw/zinc/44/71/31/590447131.db2.gz ZBOVJJHTAFJVIA-PHIMTYICSA-N 0 3 228.336 0.869 20 0 BCADHN CCC1CCN(CCn2cnnn2)CC1 ZINC000877974393 590463360 /nfs/dbraw/zinc/46/33/60/590463360.db2.gz AMCZAGBAMQZTHE-UHFFFAOYSA-N 0 3 209.297 0.795 20 0 BCADHN CCN(CC(=O)NC)C[C@@H]1CCO[C@@H]1C ZINC000877987093 590466438 /nfs/dbraw/zinc/46/64/38/590466438.db2.gz ZOQZZGXTOXPURQ-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN CCN(CCOC)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000877993498 590467182 /nfs/dbraw/zinc/46/71/82/590467182.db2.gz OIUCZBRMLZPMQJ-STQMWFEESA-N 0 3 245.363 0.867 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)COC1CC1 ZINC000878021353 590472440 /nfs/dbraw/zinc/47/24/40/590472440.db2.gz DQIDTWSIFLIJIF-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CCN(CCO)C[C@H](O)CC1(O)CCCCC1 ZINC000878050042 590482530 /nfs/dbraw/zinc/48/25/30/590482530.db2.gz PMCDLOIBNQXFBV-GFCCVEGCSA-N 0 3 245.363 0.747 20 0 BCADHN OCC1(C[C@H](O)CN2CCC2)CCCC1 ZINC000878103114 590485458 /nfs/dbraw/zinc/48/54/58/590485458.db2.gz YOBYSADLYUMCHF-NSHDSACASA-N 0 3 213.321 0.996 20 0 BCADHN CCOCCN(CC)CCn1cnnn1 ZINC000878085873 590489285 /nfs/dbraw/zinc/48/92/85/590489285.db2.gz RPJGYJFUUJXBII-UHFFFAOYSA-N 0 3 213.285 0.032 20 0 BCADHN CN(C[C@H](O)CC(C)(C)O)[C@H]1CCOC1 ZINC000878085391 590489983 /nfs/dbraw/zinc/48/99/83/590489983.db2.gz RHSKKPHUCUEWSP-VHSXEESVSA-N 0 3 217.309 0.229 20 0 BCADHN COCC1CCN(CCn2cnnn2)CC1 ZINC000878100365 590493655 /nfs/dbraw/zinc/49/36/55/590493655.db2.gz QUPPPPYAQRJCCN-UHFFFAOYSA-N 0 3 225.296 0.032 20 0 BCADHN C[C@H](O)CN(C)C[C@@H](O)CC1(O)CCCC1 ZINC000878130379 590502325 /nfs/dbraw/zinc/50/23/25/590502325.db2.gz WLSHWXUIKCWDFJ-QWRGUYRKSA-N 0 3 231.336 0.355 20 0 BCADHN C[C@@H](O)CN(C)C[C@@H](O)CC1(O)CCCCC1 ZINC000878130554 590502598 /nfs/dbraw/zinc/50/25/98/590502598.db2.gz ZFXBTTIWVSAGOJ-NEPJUHHUSA-N 0 3 245.363 0.745 20 0 BCADHN O[C@@H]1C[C@H](O)CN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000878156942 590509166 /nfs/dbraw/zinc/50/91/66/590509166.db2.gz ZODUPGAASBBERS-GRYCIOLGSA-N 0 3 241.331 0.516 20 0 BCADHN CC1(C)CC[C@@H](CN2C[C@H](O)C[C@H](O)C2)OC1 ZINC000878156627 590509225 /nfs/dbraw/zinc/50/92/25/590509225.db2.gz VNHWHLZQLCEGKC-TUAOUCFPSA-N 0 3 243.347 0.619 20 0 BCADHN COC(=O)[C@]1(F)CCN(C[C@H]2CCO[C@H]2C)C1 ZINC000878155518 590509564 /nfs/dbraw/zinc/50/95/64/590509564.db2.gz HUFXURVGFRTTLG-UMNHJUIQSA-N 0 3 245.294 0.998 20 0 BCADHN C[C@]1(O)CCN(C[C@@H](O)CC2(O)CCCC2)C1 ZINC000878165927 590512449 /nfs/dbraw/zinc/51/24/49/590512449.db2.gz HSROTJDBSVAEIO-RYUDHWBXSA-N 0 3 243.347 0.499 20 0 BCADHN c1cn(C2CCN(CCn3cnnn3)CC2)cn1 ZINC000878172330 590515291 /nfs/dbraw/zinc/51/52/91/590515291.db2.gz GLBWGECAXNMVBI-UHFFFAOYSA-N 0 3 247.306 0.207 20 0 BCADHN CC(C)[C@@H](O)CCN[C@H](C(N)=O)C(C)(C)C ZINC000878261452 590530544 /nfs/dbraw/zinc/53/05/44/590530544.db2.gz LQFNGCBHQQUGFM-VHSXEESVSA-N 0 3 230.352 0.883 20 0 BCADHN CC[C@@](C)(CC(=O)OC)NCC(C)=O ZINC000878270003 590532570 /nfs/dbraw/zinc/53/25/70/590532570.db2.gz SUIHACYFIOUCSQ-JTQLQIEISA-N 0 3 201.266 0.897 20 0 BCADHN CC(C)[C@H](O)CCN1CCSC[C@@H]1CO ZINC000878327661 590547663 /nfs/dbraw/zinc/54/76/63/590547663.db2.gz PAWLLVLFYKBYSV-WDEREUQCSA-N 0 3 233.377 0.803 20 0 BCADHN CC1=CCN(CCc2nnnn2C)CC1 ZINC000878301227 590539026 /nfs/dbraw/zinc/53/90/26/590539026.db2.gz UJDAKOJHGUUHTI-UHFFFAOYSA-N 0 3 207.281 0.405 20 0 BCADHN C[C@@H]1CN(Cc2cc[nH]c(=O)c2)CCN1C ZINC000878316067 590541612 /nfs/dbraw/zinc/54/16/12/590541612.db2.gz FRKIQPVLJZETGM-SNVBAGLBSA-N 0 3 221.304 0.923 20 0 BCADHN Cn1nnnc1CCN1CCC2(CC2)CC1 ZINC000878317646 590543163 /nfs/dbraw/zinc/54/31/63/590543163.db2.gz SKKHRDHNNCFDNK-UHFFFAOYSA-N 0 3 221.308 0.629 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@H](O)C[C@H]1C ZINC000878319506 590544382 /nfs/dbraw/zinc/54/43/82/590544382.db2.gz URLGUNOQMAHOMP-MXWKQRLJSA-N 0 3 217.309 0.227 20 0 BCADHN CCN1C[C@@H](C)N(CCn2cnnn2)C[C@H]1C ZINC000878325930 590546542 /nfs/dbraw/zinc/54/65/42/590546542.db2.gz KYHAFLSYQDLZEM-GHMZBOCLSA-N 0 3 238.339 0.088 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@@H](C)N(C)C[C@H]1C ZINC000878336469 590549613 /nfs/dbraw/zinc/54/96/13/590549613.db2.gz YGTNPAMGETXMOY-UPJWGTAASA-N 0 3 244.379 0.797 20 0 BCADHN NC(=O)C1(NC[C@@H]2CCC3(CCC3)O2)CC1 ZINC000878386070 590558914 /nfs/dbraw/zinc/55/89/14/590558914.db2.gz UTKBJYQNZSQWJO-VIFPVBQESA-N 0 3 224.304 0.696 20 0 BCADHN CC(C)[C@@H](O)CCN1CCN2CCOC[C@@H]2C1 ZINC000878429378 590566486 /nfs/dbraw/zinc/56/64/86/590566486.db2.gz FWSJJJKQLHSIQZ-STQMWFEESA-N 0 3 242.363 0.410 20 0 BCADHN CC1(C)CCC[C@@H](CN2C[C@@H](O)C[C@H]2CO)O1 ZINC000878441951 590568471 /nfs/dbraw/zinc/56/84/71/590568471.db2.gz JMMZVLKCVWGRIJ-SRVKXCTJSA-N 0 3 243.347 0.762 20 0 BCADHN CO[C@H]1C[C@@H](CN2CC[C@H](C)C[C@H]2C(N)=O)C1 ZINC000878466741 590573544 /nfs/dbraw/zinc/57/35/44/590573544.db2.gz OOMWWSNFLQESTA-YFKTTZPYSA-N 0 3 240.347 0.997 20 0 BCADHN COC(=O)[C@H]1CCN(CCc2cnccn2)[C@H]1C ZINC000878492283 590579995 /nfs/dbraw/zinc/57/99/95/590579995.db2.gz FLHZWLVNCDVPCV-JQWIXIFHSA-N 0 3 249.314 0.903 20 0 BCADHN C[C@H]1CSCCN(CCc2nnnn2C)C1 ZINC000878508819 590582801 /nfs/dbraw/zinc/58/28/01/590582801.db2.gz ZIUBFGJQEZNGNK-SECBINFHSA-N 0 3 241.364 0.438 20 0 BCADHN CN1CCN(C[C@H](O)CC(C)(C)O)CC1(C)C ZINC000878551029 590590890 /nfs/dbraw/zinc/59/08/90/590590890.db2.gz JVKYASYRZGGHLS-LLVKDONJSA-N 0 3 244.379 0.534 20 0 BCADHN CC[C@@H]1CN(CCn2cnnn2)CCCO1 ZINC000878553581 590591194 /nfs/dbraw/zinc/59/11/94/590591194.db2.gz OVKBLDKERROTHC-SNVBAGLBSA-N 0 3 225.296 0.174 20 0 BCADHN CC[C@@H]1CN(CCc2nnnn2C)CCCO1 ZINC000878553773 590591288 /nfs/dbraw/zinc/59/12/88/590591288.db2.gz RTFVKSQEFRRALY-SNVBAGLBSA-N 0 3 239.323 0.254 20 0 BCADHN CCN(CC[C@H](O)C(C)C)[C@H]1CCNC1=O ZINC000878557021 590591825 /nfs/dbraw/zinc/59/18/25/590591825.db2.gz ZDSSTFIMMPXLDM-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CN(CCOCCO)C[C@@H]1CC2(CCC2)CO1 ZINC000878561843 590591868 /nfs/dbraw/zinc/59/18/68/590591868.db2.gz WBRAXJWTUWLQMB-LBPRGKRZSA-N 0 3 243.347 0.886 20 0 BCADHN CCN(CC[C@@H](O)C(C)C)[C@@H]1CCNC1=O ZINC000878557015 590591880 /nfs/dbraw/zinc/59/18/80/590591880.db2.gz ZDSSTFIMMPXLDM-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN CCN(CC[C@H](O)C(C)C)[C@@H]1CCNC1=O ZINC000878557019 590592008 /nfs/dbraw/zinc/59/20/08/590592008.db2.gz ZDSSTFIMMPXLDM-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)[C@@H](O)CCN(C)C1(CO)CC1 ZINC000878610500 590595902 /nfs/dbraw/zinc/59/59/02/590595902.db2.gz XTGDGOURCSGXHS-JTQLQIEISA-N 0 3 201.310 0.850 20 0 BCADHN COCCOCCN(C)C[C@@H](O)CC(C)(C)O ZINC000878626202 590596486 /nfs/dbraw/zinc/59/64/86/590596486.db2.gz PDUFDVQAIZHUKE-NSHDSACASA-N 0 3 249.351 0.103 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCCN(C=O)CC2)C1 ZINC000878638627 590598733 /nfs/dbraw/zinc/59/87/33/590598733.db2.gz UKGRIDBKPSTXGW-TXEJJXNPSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@]12CCN(CCn3cnnn3)C[C@@H]1C2(F)F ZINC000878638694 590598941 /nfs/dbraw/zinc/59/89/41/590598941.db2.gz VILIKRPFKIDMDK-DTWKUNHWSA-N 0 3 243.261 0.650 20 0 BCADHN COC[C@H](C)N1CCCN(C=O)CC1 ZINC000878637323 590599262 /nfs/dbraw/zinc/59/92/62/590599262.db2.gz ISCZAWGNDZCKAM-JTQLQIEISA-N 0 3 200.282 0.185 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(Cc3cc[nH]c(=O)c3)C[C@@H]21 ZINC000878640089 590599843 /nfs/dbraw/zinc/59/98/43/590599843.db2.gz DPXWPOUVYQXIHK-IAZYJMLFSA-N 0 3 248.282 0.638 20 0 BCADHN CSC[C@@H]1CCCN(CCn2cnnn2)C1 ZINC000878646775 590600925 /nfs/dbraw/zinc/60/09/25/590600925.db2.gz IBMLSGCCTGODNE-SNVBAGLBSA-N 0 3 241.364 0.748 20 0 BCADHN CC(C)[C@@H](O)CCN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000878645916 590601437 /nfs/dbraw/zinc/60/14/37/590601437.db2.gz PKKKAEAXCHMWBV-NEPJUHHUSA-N 0 3 242.363 0.946 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)COC1CC1 ZINC000878652975 590602453 /nfs/dbraw/zinc/60/24/53/590602453.db2.gz YLIFHVHLOHMROZ-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN CN(C[C@@H](O)CC(C)(C)O)CC(C)(C)CO ZINC000878664422 590605338 /nfs/dbraw/zinc/60/53/38/590605338.db2.gz HNJPAYCKGDEYLJ-JTQLQIEISA-N 0 3 233.352 0.459 20 0 BCADHN CC(C)OC[C@H](O)CN1CC[C@@H](O)[C@H]1C ZINC000878683987 590609319 /nfs/dbraw/zinc/60/93/19/590609319.db2.gz CCFUYUKHTCQLDP-GMTAPVOTSA-N 0 3 217.309 0.227 20 0 BCADHN Cn1nccc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000878712829 590614407 /nfs/dbraw/zinc/61/44/07/590614407.db2.gz UUYIDXGAUBAMFQ-JQWIXIFHSA-N 0 3 239.319 0.297 20 0 BCADHN CC(=O)N[C@H]1CCN(CC[C@@H](O)C(C)C)C1 ZINC000878721404 590615768 /nfs/dbraw/zinc/61/57/68/590615768.db2.gz VNXIPUMAXBJLSD-NWDGAFQWSA-N 0 3 228.336 0.604 20 0 BCADHN CC(=O)NCCN(C)CC[C@@H](O)C(C)C ZINC000878763085 590619680 /nfs/dbraw/zinc/61/96/80/590619680.db2.gz RZLOVRIADBZKGI-LLVKDONJSA-N 0 3 216.325 0.461 20 0 BCADHN CCN(CCc1nnnn1C)[C@@H]1CCCOC1 ZINC000878806144 590625452 /nfs/dbraw/zinc/62/54/52/590625452.db2.gz XGOUIOZDHIDSEM-SNVBAGLBSA-N 0 3 239.323 0.254 20 0 BCADHN CC(C)O[C@H]1CCCN(CCn2cnnn2)C1 ZINC000878805109 590625589 /nfs/dbraw/zinc/62/55/89/590625589.db2.gz ZKNKKXXVKWZZRP-NSHDSACASA-N 0 3 239.323 0.563 20 0 BCADHN C[Si](C)(C)CN1CCN(c2nc[nH]n2)CC1 ZINC000878824658 590628406 /nfs/dbraw/zinc/62/84/06/590628406.db2.gz ZVBGULOCYJMBQX-UHFFFAOYSA-N 0 3 239.399 0.804 20 0 BCADHN C[C@@H](O)CN(C[C@H](O)CC(C)(C)O)C1CC1 ZINC000878848747 590633707 /nfs/dbraw/zinc/63/37/07/590633707.db2.gz AIDUUIGANUNYRO-MWLCHTKSSA-N 0 3 231.336 0.354 20 0 BCADHN OC[C@@H]1CC[C@@H](CO)N1CCOC(F)F ZINC000878880812 590638105 /nfs/dbraw/zinc/63/81/05/590638105.db2.gz ASOFPMLANCXFLB-YUMQZZPRSA-N 0 3 225.235 0.043 20 0 BCADHN CC(C)[C@H](O)CCN1CCC(CO)(CO)C1 ZINC000878969045 590663768 /nfs/dbraw/zinc/66/37/68/590663768.db2.gz IVIJVAMHUSKCOE-LLVKDONJSA-N 0 3 231.336 0.070 20 0 BCADHN C[C@H]1CN(CCn2cnnn2)C[C@H](C)C1(F)F ZINC000879030367 590681339 /nfs/dbraw/zinc/68/13/39/590681339.db2.gz IMXKCARTFBUJEG-IUCAKERBSA-N 0 3 245.277 0.896 20 0 BCADHN CC1(CN2CCC([C@@H](F)C(N)=O)CC2)COC1 ZINC000879041946 590685160 /nfs/dbraw/zinc/68/51/60/590685160.db2.gz UFSMUCKPIDOAEO-SNVBAGLBSA-N 0 3 244.310 0.558 20 0 BCADHN CCOCCCN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044756 590685377 /nfs/dbraw/zinc/68/53/77/590685377.db2.gz FQXNOABMVOWFSG-LLVKDONJSA-N 0 3 246.326 0.948 20 0 BCADHN O=C1OC[C@@H]2CN(CCc3cnccn3)C[C@H]12 ZINC000879065544 590690636 /nfs/dbraw/zinc/69/06/36/590690636.db2.gz IASLUVHMKPCPHP-ONGXEEELSA-N 0 3 233.271 0.124 20 0 BCADHN C[C@]12CCCC[C@H]1CN2CCn1cnnn1 ZINC000879061580 590690691 /nfs/dbraw/zinc/69/06/91/590690691.db2.gz DUDLLZSWJNXREH-QWRGUYRKSA-N 0 3 221.308 0.938 20 0 BCADHN CSC1CCN(CCc2nnnn2C)CC1 ZINC000879100157 590696204 /nfs/dbraw/zinc/69/62/04/590696204.db2.gz JBIBCUINUHCQSR-UHFFFAOYSA-N 0 3 241.364 0.580 20 0 BCADHN COC[C@@](C)(CO)NC[C@@H]1CC2(CC2)C(=O)O1 ZINC000879163184 590706258 /nfs/dbraw/zinc/70/62/58/590706258.db2.gz RTFJLONSPQAHDM-GXSJLCMTSA-N 0 3 243.303 0.069 20 0 BCADHN CN(C)C1(C(=O)NCC(C)(C)CO)CCC1 ZINC000127600258 590717763 /nfs/dbraw/zinc/71/77/63/590717763.db2.gz SGDFLMRLEWNURL-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN Cc1cc(N2CC[C@@H](O)[C@H](C)C2)nc(N)n1 ZINC000127639411 590727074 /nfs/dbraw/zinc/72/70/74/590727074.db2.gz JIFSOIUPUVAWMT-VXNVDRBHSA-N 0 3 222.292 0.574 20 0 BCADHN CC(=O)CCN1CCC(CCO)(CCO)CC1 ZINC000879283105 590727179 /nfs/dbraw/zinc/72/71/79/590727179.db2.gz XMHZZMLMXCOVGE-UHFFFAOYSA-N 0 3 243.347 0.813 20 0 BCADHN CC[C@@]1(O)CCCN(C[C@@H]2CCC(=O)O2)C1 ZINC000879313344 590736942 /nfs/dbraw/zinc/73/69/42/590736942.db2.gz IYTYZPSDDYTXLM-CMPLNLGQSA-N 0 3 227.304 0.929 20 0 BCADHN CO[C@H]1CC[C@@H](C)N(CCN2CCOC2=O)C1 ZINC000879322793 590741852 /nfs/dbraw/zinc/74/18/52/590741852.db2.gz XTPVKKSMTPDDNT-MNOVXSKESA-N 0 3 242.319 0.938 20 0 BCADHN 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ZINC000879419728 590766105 /nfs/dbraw/zinc/76/61/05/590766105.db2.gz PSDNSEMCVOGIGU-QJPTWQEYSA-N 0 3 241.331 0.985 20 0 BCADHN C[S@](=O)CCN1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000879420119 590766866 /nfs/dbraw/zinc/76/68/66/590766866.db2.gz SFLOGANZDCSTMQ-YRORDHRNSA-N 0 3 245.388 0.990 20 0 BCADHN O[C@@H]1CCN(CC2OCCO2)[C@H]2CCCC[C@@H]12 ZINC000879419724 590767346 /nfs/dbraw/zinc/76/73/46/590767346.db2.gz PSDNSEMCVOGIGU-GRYCIOLGSA-N 0 3 241.331 0.985 20 0 BCADHN COC(=O)C[C@@](C)(NCC(C)=O)C1CC1 ZINC000879443493 590771996 /nfs/dbraw/zinc/77/19/96/590771996.db2.gz OKYMVZHQHFRSPY-LLVKDONJSA-N 0 3 213.277 0.897 20 0 BCADHN COCCN(CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487105 590781677 /nfs/dbraw/zinc/78/16/77/590781677.db2.gz UQZZDYDZHYOFTO-LLVKDONJSA-N 0 3 226.320 0.609 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)COC1CC1 ZINC000879516804 590787073 /nfs/dbraw/zinc/78/70/73/590787073.db2.gz ZXDDJFMSTWACSQ-UHFFFAOYSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529181 590790704 /nfs/dbraw/zinc/79/07/04/590790704.db2.gz SQEBCYFVIGJBRP-LPEHRKFASA-N 0 3 237.303 0.468 20 0 BCADHN CNS(=O)(=O)CCN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530977 590792628 /nfs/dbraw/zinc/79/26/28/590792628.db2.gz OHKRAXKBDRNAAO-PHIMTYICSA-N 0 3 244.360 0.434 20 0 BCADHN C[C@H](C(=O)NCCN1CCC[C@@H]1C)N(C)C ZINC000879537188 590796006 /nfs/dbraw/zinc/79/60/06/590796006.db2.gz UXMMVGYWCPQRQU-WDEREUQCSA-N 0 3 227.352 0.537 20 0 BCADHN CN(C)C(=O)CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879555437 590798681 /nfs/dbraw/zinc/79/86/81/590798681.db2.gz NTHXNXIUCPVSRQ-NXEZZACHSA-N 0 3 228.361 0.760 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000879555507 590798855 /nfs/dbraw/zinc/79/88/55/590798855.db2.gz DSWHFXLXWHAYMM-HLTSFMKQSA-N 0 3 214.334 0.545 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H]2CSC[C@H]2C1 ZINC000879555716 590799285 /nfs/dbraw/zinc/79/92/85/590799285.db2.gz ASBORIPMZPPBDS-IVZWLZJFSA-N 0 3 228.361 0.935 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000879555717 590799449 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ZINC000879619097 590832116 /nfs/dbraw/zinc/83/21/16/590832116.db2.gz MTUITEDWKZIONM-DTWKUNHWSA-N 0 3 214.309 0.343 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@@H](O)CC(C)(C)C1 ZINC000879616194 590832539 /nfs/dbraw/zinc/83/25/39/590832539.db2.gz UAQKXZDHQAJQEZ-ZJUUUORDSA-N 0 3 228.336 0.556 20 0 BCADHN CC1(C)C[C@H](O)CN(CCN2CCOC2=O)C1 ZINC000879617896 590832662 /nfs/dbraw/zinc/83/26/62/590832662.db2.gz OXYOOHSQCWOUCH-JTQLQIEISA-N 0 3 242.319 0.531 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1C[C@H](O)CC(C)(C)C1 ZINC000879616193 590832770 /nfs/dbraw/zinc/83/27/70/590832770.db2.gz UAQKXZDHQAJQEZ-VHSXEESVSA-N 0 3 228.336 0.556 20 0 BCADHN COC(=O)CCN1C[C@H](O)CC(C)(C)C1 ZINC000879617796 590832884 /nfs/dbraw/zinc/83/28/84/590832884.db2.gz RJMKYYHQIDMQHP-SECBINFHSA-N 0 3 215.293 0.642 20 0 BCADHN CCN1CC[C@@H](N2C[C@@H](O)CC(C)(C)C2)C1=O ZINC000879623880 590837259 /nfs/dbraw/zinc/83/72/59/590837259.db2.gz IDMZIMXURRTEEE-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC(C(C)(C)O)CC1 ZINC000879628467 590840019 /nfs/dbraw/zinc/84/00/19/590840019.db2.gz VEMBKSKSJDESPQ-CYBMUJFWSA-N 0 3 243.347 0.809 20 0 BCADHN CN(C)C1(CNC(=O)COC2CC2)CCC1 ZINC000879664413 590844786 /nfs/dbraw/zinc/84/47/86/590844786.db2.gz WOMUCVBAKPHRCH-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](NCCN1CCOC1=O)c1ccnn1C ZINC000879684657 590847372 /nfs/dbraw/zinc/84/73/72/590847372.db2.gz MCGOVJSRDMAIMD-SECBINFHSA-N 0 3 238.291 0.523 20 0 BCADHN CCN(C)C(=O)CCN[C@@H](C)c1ccnn1C ZINC000879685745 590848454 /nfs/dbraw/zinc/84/84/54/590848454.db2.gz LDIMIHNESPGZTM-JTQLQIEISA-N 0 3 238.335 0.939 20 0 BCADHN C[C@H](NCCC1OCCO1)c1ccnn1C ZINC000879687132 590848872 /nfs/dbraw/zinc/84/88/72/590848872.db2.gz OHLYDIYHZQXZPE-VIFPVBQESA-N 0 3 225.292 0.834 20 0 BCADHN C[C@H](c1ccncc1)N1C[C@H](CO)[C@H](CO)C1 ZINC000879693426 590849898 /nfs/dbraw/zinc/84/98/98/590849898.db2.gz CNHXTWCVSRZICD-RTXFEEFZSA-N 0 3 236.315 0.675 20 0 BCADHN CCC(O)(CC)C(C)(C)NCC(=O)NC ZINC000879696913 590851614 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0.484 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2Cc1cnon1 ZINC000880142465 590943382 /nfs/dbraw/zinc/94/33/82/590943382.db2.gz OQEVORATXTXANH-WDEREUQCSA-N 0 3 222.292 0.738 20 0 BCADHN CN1CCC[C@H](N2CC[C@@H](C(C)(C)O)C2)C1=O ZINC000880147447 590944926 /nfs/dbraw/zinc/94/49/26/590944926.db2.gz DGCCXGDEPAQNCV-MNOVXSKESA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)(O)[C@@H]1CCN(CC2OCCO2)C1 ZINC000880148052 590946228 /nfs/dbraw/zinc/94/62/28/590946228.db2.gz PSJBBPCSFDMSPL-SECBINFHSA-N 0 3 215.293 0.452 20 0 BCADHN COCC1(N(C)CCc2cn(C)nn2)CCC1 ZINC000880184376 590952437 /nfs/dbraw/zinc/95/24/37/590952437.db2.gz DKSZHECSMXEIHR-UHFFFAOYSA-N 0 3 238.335 0.859 20 0 BCADHN CN(C)C(=O)CN1CCC[C@H](CF)C1 ZINC000880230055 590961221 /nfs/dbraw/zinc/96/12/21/590961221.db2.gz HLPBFHROEFKMMZ-SECBINFHSA-N 0 3 202.273 0.756 20 0 BCADHN CNS(=O)(=O)CCCN1CCC(F)CC1 ZINC000880241356 590975175 /nfs/dbraw/zinc/97/51/75/590975175.db2.gz ANLQWEKXNVFHFD-UHFFFAOYSA-N 0 3 238.328 0.360 20 0 BCADHN CNC(=O)CN1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880259255 590978994 /nfs/dbraw/zinc/97/89/94/590978994.db2.gz OMZCYDORUYFWSR-NSHDSACASA-N 0 3 248.330 0.338 20 0 BCADHN C[C@H]1CN(CCCO)CCN1c1ccncc1 ZINC000880261397 590980830 /nfs/dbraw/zinc/98/08/30/590980830.db2.gz JTHWHJBSWFWPNN-LBPRGKRZSA-N 0 3 235.331 0.975 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@H](CF)C1 ZINC000880291390 590983255 /nfs/dbraw/zinc/98/32/55/590983255.db2.gz LWZIIFOKJMVIHO-RKDXNWHRSA-N 0 3 202.273 0.755 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CC[C@H](CF)C1 ZINC000880299337 590993896 /nfs/dbraw/zinc/99/38/96/590993896.db2.gz GHPSNBQZYWXUPF-ZJUUUORDSA-N 0 3 203.257 0.618 20 0 BCADHN O=C1CC[C@H](N2CC[C@@H](CF)C2)C(=O)N1 ZINC000880299281 590994657 /nfs/dbraw/zinc/99/46/57/590994657.db2.gz QXRXVOWTRDQOGF-YUMQZZPRSA-N 0 3 214.240 0.083 20 0 BCADHN CCN1CC[C@@H](N2CC[C@H](CF)C2)C1=O ZINC000880300453 590997321 /nfs/dbraw/zinc/99/73/21/590997321.db2.gz SXFBZKRUAOCGOI-NXEZZACHSA-N 0 3 214.284 0.899 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)COC1CC1 ZINC000880329557 591007257 /nfs/dbraw/zinc/00/72/57/591007257.db2.gz YBQDSPFXCDQKNE-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN CCOC(CN1C[C@H]2C[C@@]2(O)C1)OCC ZINC000880418864 591027290 /nfs/dbraw/zinc/02/72/90/591027290.db2.gz DULMUGZCPCWLGR-MWLCHTKSSA-N 0 3 215.293 0.452 20 0 BCADHN NC(=O)CN(CCCCF)C1CCOCC1 ZINC000880395132 591019128 /nfs/dbraw/zinc/01/91/28/591019128.db2.gz HSJYJNVPNMMGTF-UHFFFAOYSA-N 0 3 232.299 0.702 20 0 BCADHN CC(C)CCN(CC(N)=O)C1CCOCC1 ZINC000880391339 591019961 /nfs/dbraw/zinc/01/99/61/591019961.db2.gz JPDLFTUPABZSOW-UHFFFAOYSA-N 0 3 228.336 0.999 20 0 BCADHN CSCCCN(CC(N)=O)C1CCOCC1 ZINC000880392976 591020171 /nfs/dbraw/zinc/02/01/71/591020171.db2.gz KLFRCOICDJUNLW-UHFFFAOYSA-N 0 3 246.376 0.706 20 0 BCADHN Cn1nnc2cc(CN3C[C@H]4C[C@@]4(O)C3)ccc21 ZINC000880416065 591025938 /nfs/dbraw/zinc/02/59/38/591025938.db2.gz GUXUYQNKIPQWST-ZWNOBZJWSA-N 0 3 244.298 0.535 20 0 BCADHN O[C@@]12C[C@@H]1CN(Cc1ccc3nonc3c1)C2 ZINC000880418667 591027131 /nfs/dbraw/zinc/02/71/31/591027131.db2.gz CJFIRFDUBGQXEO-BXKDBHETSA-N 0 3 231.255 0.789 20 0 BCADHN CCOCCN(C)[C@@H]1CCOC[C@H]1OC ZINC000880424867 591030562 /nfs/dbraw/zinc/03/05/62/591030562.db2.gz KLUAJGABNCKBDO-GHMZBOCLSA-N 0 3 217.309 0.759 20 0 BCADHN CO[C@@H]1COCC[C@H]1N(C)CCC(C)=O ZINC000880426088 591031764 /nfs/dbraw/zinc/03/17/64/591031764.db2.gz RGGMCIDHVXFMMS-GHMZBOCLSA-N 0 3 215.293 0.701 20 0 BCADHN CO[C@H]1COCC[C@@H]1N(C)CCn1cncn1 ZINC000880429715 591035021 /nfs/dbraw/zinc/03/50/21/591035021.db2.gz WZRPRPMMYMCXMC-QWRGUYRKSA-N 0 3 240.307 0.014 20 0 BCADHN CO[C@@H]1COCC[C@H]1N(C)CCOC(F)F ZINC000880436645 591038576 /nfs/dbraw/zinc/03/85/76/591038576.db2.gz YOSQFMSGMLILKN-RKDXNWHRSA-N 0 3 239.262 0.961 20 0 BCADHN C[C@@H]1CCCN1C(=O)CCN1CC=C[C@H]1CO ZINC000880485333 591058956 /nfs/dbraw/zinc/05/89/56/591058956.db2.gz BZTGKIXTAJEFFO-NEPJUHHUSA-N 0 3 238.331 0.620 20 0 BCADHN CC(C)NC(=O)CCN1CC=C[C@@H]1CO ZINC000880484974 591059337 /nfs/dbraw/zinc/05/93/37/591059337.db2.gz CHPGYTYZGNETGW-SNVBAGLBSA-N 0 3 212.293 0.134 20 0 BCADHN O=C(CCN1CC=C[C@H]1CO)N1CCCCC1 ZINC000880486472 591061840 /nfs/dbraw/zinc/06/18/40/591061840.db2.gz SGGPJVVOFIPTGI-LBPRGKRZSA-N 0 3 238.331 0.622 20 0 BCADHN CCCCNC(=O)CCN1CC=C[C@@H]1CO ZINC000880486586 591061914 /nfs/dbraw/zinc/06/19/14/591061914.db2.gz PMQCULBXXFFEIU-LLVKDONJSA-N 0 3 226.320 0.526 20 0 BCADHN O=C(CCN1CC=C[C@@H]1CO)N1CCCCC1 ZINC000880486471 591062215 /nfs/dbraw/zinc/06/22/15/591062215.db2.gz SGGPJVVOFIPTGI-GFCCVEGCSA-N 0 3 238.331 0.622 20 0 BCADHN CC1(C)OC[C@@H](CCN2CC=C[C@@H]2CO)O1 ZINC000880492453 591069320 /nfs/dbraw/zinc/06/93/20/591069320.db2.gz SBCNACQHSQOAPF-GHMZBOCLSA-N 0 3 227.304 0.761 20 0 BCADHN COC(CCN1CC=C[C@@H]1CO)OC ZINC000880492308 591069595 /nfs/dbraw/zinc/06/95/95/591069595.db2.gz PUZJTGFMHLLEJM-SECBINFHSA-N 0 3 201.266 0.228 20 0 BCADHN NC(=O)c1ccc(CCN2CC=C[C@@H]2CO)cc1 ZINC000880493977 591070178 /nfs/dbraw/zinc/07/01/78/591070178.db2.gz HRILNNCCEXUBNG-CYBMUJFWSA-N 0 3 246.310 0.561 20 0 BCADHN CC1(C)OC[C@H](CCN2CC=C[C@H]2CO)O1 ZINC000880492457 591070831 /nfs/dbraw/zinc/07/08/31/591070831.db2.gz SBCNACQHSQOAPF-QWRGUYRKSA-N 0 3 227.304 0.761 20 0 BCADHN CN(C)C(=O)CN[C@@H]1CCC[C@]12CCCO2 ZINC000880500204 591075128 /nfs/dbraw/zinc/07/51/28/591075128.db2.gz XXIUWPRJKDRNCS-PWSUYJOCSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)CCC(C)(C)O ZINC000880591089 591104145 /nfs/dbraw/zinc/10/41/45/591104145.db2.gz XGTILENKNUGLAW-JTQLQIEISA-N 0 3 230.352 0.979 20 0 BCADHN CS(=O)(=O)CCN[C@@H]1CCC[C@]12CCCO2 ZINC000880511595 591081979 /nfs/dbraw/zinc/08/19/79/591081979.db2.gz NDXDPRIGJMLTFR-MNOVXSKESA-N 0 3 247.360 0.722 20 0 BCADHN O=C1NCC[C@@H]2CCCN(C[C@H]3CCCO3)[C@@H]12 ZINC000880530874 591084862 /nfs/dbraw/zinc/08/48/62/591084862.db2.gz IFIVABPEUWIMKC-QJPTWQEYSA-N 0 3 238.331 0.766 20 0 BCADHN O=C1NCC[C@@H]2CCCN(CCCCO)[C@H]12 ZINC000880529853 591085033 /nfs/dbraw/zinc/08/50/33/591085033.db2.gz MZDRRFDKLGQUHO-QWRGUYRKSA-N 0 3 226.320 0.359 20 0 BCADHN COCCCCCN1CC[C@@](O)(C(=O)OC)C1 ZINC000880560781 591092648 /nfs/dbraw/zinc/09/26/48/591092648.db2.gz FYIXDIOJHXZJFX-LBPRGKRZSA-N 0 3 245.319 0.413 20 0 BCADHN CC/C=C\CCN1CC[C@@](O)(C(=O)OC)C1 ZINC000880565095 591094328 /nfs/dbraw/zinc/09/43/28/591094328.db2.gz BNPMZVNCHGIBKV-RXNFCKPNSA-N 0 3 227.304 0.953 20 0 BCADHN CC[C@H](C(=O)OC)n1cc([C@H](C)N)nn1 ZINC000881135871 591165495 /nfs/dbraw/zinc/16/54/95/591165495.db2.gz MQADXEWEVPUKJH-POYBYMJQSA-N 0 3 212.253 0.422 20 0 BCADHN CCOC(=O)CCCn1cc([C@@H](C)N)nn1 ZINC000881195177 591168100 /nfs/dbraw/zinc/16/81/00/591168100.db2.gz GLDWLDLRPCCWLN-MRVPVSSYSA-N 0 3 226.280 0.641 20 0 BCADHN CC(C)[C@@H](N)c1cn(CCC2OCCO2)nn1 ZINC000881194806 591168541 /nfs/dbraw/zinc/16/85/41/591168541.db2.gz SFPJOSIADVTCOX-LLVKDONJSA-N 0 3 240.307 0.697 20 0 BCADHN CC[C@](C)(N)c1cn(CCC2OCCO2)nn1 ZINC000881195124 591168586 /nfs/dbraw/zinc/16/85/86/591168586.db2.gz YDCOVJXUPSBSID-NSHDSACASA-N 0 3 240.307 0.625 20 0 BCADHN C[C@@H](N)c1cn(CC(=O)N(C)CC2CC2)nn1 ZINC000881258473 591176627 /nfs/dbraw/zinc/17/66/27/591176627.db2.gz RJWNNSUTNRFXSN-MRVPVSSYSA-N 0 3 237.307 0.166 20 0 BCADHN C[C@H](N)c1cn(CC(=O)NCC2CCC2)nn1 ZINC000881287222 591181311 /nfs/dbraw/zinc/18/13/11/591181311.db2.gz LBWVRIGIOKTNII-QMMMGPOBSA-N 0 3 237.307 0.214 20 0 BCADHN Cc1ccnc(Cn2cc(CCN(C)C)nn2)n1 ZINC000881297490 591183420 /nfs/dbraw/zinc/18/34/20/591183420.db2.gz NWOSFUXGKXUDFQ-UHFFFAOYSA-N 0 3 246.318 0.529 20 0 BCADHN Cc1cc(Cn2cc([C@@H](C)N)nn2)nc(C)n1 ZINC000881325552 591192215 /nfs/dbraw/zinc/19/22/15/591192215.db2.gz RMTKVGRXEBEVBN-MRVPVSSYSA-N 0 3 232.291 0.753 20 0 BCADHN C[C@H](N)c1cn([C@@H]2CCN(C3CCC3)C2=O)nn1 ZINC000881335891 591193880 /nfs/dbraw/zinc/19/38/80/591193880.db2.gz LVIJOAIVJZVMGS-GZMMTYOYSA-N 0 3 249.318 0.624 20 0 BCADHN CCc1nocc1Cn1cc([C@@H](C)N)nn1 ZINC000881380627 591194417 /nfs/dbraw/zinc/19/44/17/591194417.db2.gz VEWGZQLELBZSKJ-SSDOTTSWSA-N 0 3 221.264 0.897 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2cnon2)nn1 ZINC000881359116 591195113 /nfs/dbraw/zinc/19/51/13/591195113.db2.gz JBIGLRMOBIJIJL-MRVPVSSYSA-N 0 3 222.252 0.509 20 0 BCADHN COc1ncc(Cn2cc([C@@H](C)N)nn2)c(C)n1 ZINC000881368703 591196304 /nfs/dbraw/zinc/19/63/04/591196304.db2.gz GPKSYJPQONNDOB-SSDOTTSWSA-N 0 3 248.290 0.453 20 0 BCADHN C[C@H](N)c1cn(C[C@H]2CCO[C@@H]2C)nn1 ZINC000881366327 591196391 /nfs/dbraw/zinc/19/63/91/591196391.db2.gz DAROGGLUCIAXTE-DJLDLDEBSA-N 0 3 210.281 0.723 20 0 BCADHN C[C@@H](N)c1cn(Cc2ccc(N(C)C)nc2)nn1 ZINC000881381265 591197594 /nfs/dbraw/zinc/19/75/94/591197594.db2.gz USWKXOPENOWMTQ-SECBINFHSA-N 0 3 246.318 0.807 20 0 BCADHN C[C@@H](N)c1cn(CC[C@@H]2COC(C)(C)O2)nn1 ZINC000881395283 591200446 /nfs/dbraw/zinc/20/04/46/591200446.db2.gz RTICFVDJZHGELG-RKDXNWHRSA-N 0 3 240.307 0.839 20 0 BCADHN CC(C)OCC[C@@H](O)Cn1cc([C@H](C)N)nn1 ZINC000881423100 591203361 /nfs/dbraw/zinc/20/33/61/591203361.db2.gz NMZALGDQLASVJZ-VHSXEESVSA-N 0 3 242.323 0.474 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1C[C@H](OC)C1)N(C)C ZINC000881575605 591239111 /nfs/dbraw/zinc/23/91/11/591239111.db2.gz PTSQBTNZXHOGKO-GMTAPVOTSA-N 0 3 228.336 0.868 20 0 BCADHN CC(C(=O)N1CC[C@@H](CF)C1)S(C)(=O)=O ZINC000881665511 591261206 /nfs/dbraw/zinc/26/12/06/591261206.db2.gz HVGGTJNVJJTRCB-SFYZADRCSA-N 0 3 237.296 0.238 20 0 BCADHN CC[C@@H](N)C(=O)NCCCCCCC(=O)OC ZINC000129210440 591269783 /nfs/dbraw/zinc/26/97/83/591269783.db2.gz AZPOOBUDOSHAEJ-SNVBAGLBSA-N 0 3 244.335 0.963 20 0 BCADHN Cc1cncnc1NC[C@@H](O)CN(C)C ZINC000881795847 591271871 /nfs/dbraw/zinc/27/18/71/591271871.db2.gz OXWXRRZBCRSMQF-SECBINFHSA-N 0 3 210.281 0.119 20 0 BCADHN Cc1ncnc(NC[C@]2(O)CCN(C)C2)c1C ZINC000882191104 591314656 /nfs/dbraw/zinc/31/46/56/591314656.db2.gz WTVIPNXZPLXNAP-GFCCVEGCSA-N 0 3 236.319 0.572 20 0 BCADHN C[C@H](O)CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000095225583 598962176 /nfs/dbraw/zinc/96/21/76/598962176.db2.gz OISGNWPNVGLDQL-VIFPVBQESA-N 0 3 247.302 0.727 20 0 BCADHN C[C@H](O)CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000095225583 598962177 /nfs/dbraw/zinc/96/21/77/598962177.db2.gz OISGNWPNVGLDQL-VIFPVBQESA-N 0 3 247.302 0.727 20 0 BCADHN Cc1cc(N[C@H](C)CC(N)=O)nc(N)n1 ZINC000129864918 591415098 /nfs/dbraw/zinc/41/50/98/591415098.db2.gz CEGYVHIFTJWASZ-RXMQYKEDSA-N 0 3 209.253 0.043 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H](O)CC(C)C ZINC000129990644 591427774 /nfs/dbraw/zinc/42/77/74/591427774.db2.gz IUCFUEWTQZFTFR-DTWKUNHWSA-N 0 3 202.298 0.247 20 0 BCADHN CNS(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882767774 591434712 /nfs/dbraw/zinc/43/47/12/591434712.db2.gz BTTHERZDQGSJFM-UHFFFAOYSA-N 0 3 247.364 0.011 20 0 BCADHN OCCNCc1cccc2c1CCOC2 ZINC000882880540 591462427 /nfs/dbraw/zinc/46/24/27/591462427.db2.gz XQMXNVDIPSRDLG-UHFFFAOYSA-N 0 3 207.273 0.841 20 0 BCADHN CCn1nncc1CN[C@H](CO)C1CC1 ZINC000883002626 591504941 /nfs/dbraw/zinc/50/49/41/591504941.db2.gz KYUXCCACYHFLBO-SNVBAGLBSA-N 0 3 210.281 0.159 20 0 BCADHN Cc1ccc(CN[C@@H](CO)C2CC2)nn1 ZINC000883002692 591504987 /nfs/dbraw/zinc/50/49/87/591504987.db2.gz MFWGXVJLXWEOGR-NSHDSACASA-N 0 3 207.277 0.646 20 0 BCADHN CCc1ncc(CN[C@H](CO)C2CC2)cn1 ZINC000883003099 591505058 /nfs/dbraw/zinc/50/50/58/591505058.db2.gz YPCLBEYBOSGZMK-LLVKDONJSA-N 0 3 221.304 0.900 20 0 BCADHN C[C@@](CO)(NCc1ccncc1N)C1CC1 ZINC000883033776 591521384 /nfs/dbraw/zinc/52/13/84/591521384.db2.gz CTRISHKAEPTXAB-LBPRGKRZSA-N 0 3 221.304 0.914 20 0 BCADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC000130849941 591530220 /nfs/dbraw/zinc/53/02/20/591530220.db2.gz JSSCYNCWVLQZKI-NXEZZACHSA-N 0 3 244.335 0.640 20 0 BCADHN COC[C@@H](O)CNCc1ccc2c(n1)CCC2 ZINC000883113663 591541830 /nfs/dbraw/zinc/54/18/30/591541830.db2.gz ZRIGTGVWADJCDG-LBPRGKRZSA-N 0 3 236.315 0.667 20 0 BCADHN CON(C)CCNCc1cnc2n1CCC2 ZINC000883170989 591560411 /nfs/dbraw/zinc/56/04/11/591560411.db2.gz LECRBKJILSSCIO-UHFFFAOYSA-N 0 3 224.308 0.412 20 0 BCADHN CON(C)CCNCc1cc(C)nn1C ZINC000883170983 591560761 /nfs/dbraw/zinc/56/07/61/591560761.db2.gz LBOWJKRYTVYEAT-UHFFFAOYSA-N 0 3 212.297 0.311 20 0 BCADHN CON(C)CCNCc1ccc2c(c1)nnn2C ZINC000883171997 591561094 /nfs/dbraw/zinc/56/10/94/591561094.db2.gz PWGZAGXABGHSMH-UHFFFAOYSA-N 0 3 249.318 0.551 20 0 BCADHN CON(C)CCNCc1cncs1 ZINC000883171703 591561166 /nfs/dbraw/zinc/56/11/66/591561166.db2.gz GFFLGTRWQLUIJB-UHFFFAOYSA-N 0 3 201.295 0.726 20 0 BCADHN CON(C)CCNCc1c(C)noc1C ZINC000883172795 591561556 /nfs/dbraw/zinc/56/15/56/591561556.db2.gz TULNOHCPPMBKNZ-UHFFFAOYSA-N 0 3 213.281 0.874 20 0 BCADHN CCCn1cc(CNCCN(C)OC)cn1 ZINC000883172579 591562797 /nfs/dbraw/zinc/56/27/97/591562797.db2.gz MITHRPGCWKUXIM-UHFFFAOYSA-N 0 3 226.324 0.876 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N1CC=C[C@H]1CO ZINC000883204803 591572843 /nfs/dbraw/zinc/57/28/43/591572843.db2.gz IPZOQLIIWMNXCR-QWRGUYRKSA-N 0 3 239.319 0.023 20 0 BCADHN Cn1cnc(CNC[C@@H](CO)Cc2ccoc2)c1 ZINC000883270244 591603188 /nfs/dbraw/zinc/60/31/88/591603188.db2.gz JAOYTEGFZMAKKZ-LBPRGKRZSA-N 0 3 249.314 0.954 20 0 BCADHN Cn1cnc(CNC[C@H](CO)Cc2ccoc2)c1 ZINC000883270243 591603270 /nfs/dbraw/zinc/60/32/70/591603270.db2.gz JAOYTEGFZMAKKZ-GFCCVEGCSA-N 0 3 249.314 0.954 20 0 BCADHN CN(CCNCc1ccco1)CCOCCO ZINC000883351659 591624550 /nfs/dbraw/zinc/62/45/50/591624550.db2.gz KANWQAMRACMAIB-UHFFFAOYSA-N 0 3 242.319 0.310 20 0 BCADHN CCN1CC[C@H]1CNCc1cncnc1OC ZINC000883359065 591628748 /nfs/dbraw/zinc/62/87/48/591628748.db2.gz XOZLVAPZYIAUEV-NSHDSACASA-N 0 3 236.319 0.669 20 0 BCADHN CCN1CC[C@@H]1CNCc1ccncc1N ZINC000883358755 591629415 /nfs/dbraw/zinc/62/94/15/591629415.db2.gz QKDPYKWSHRTRRV-LLVKDONJSA-N 0 3 220.320 0.848 20 0 BCADHN CC(C)OC[C@@H](C)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883380328 591638252 /nfs/dbraw/zinc/63/82/52/591638252.db2.gz IODALGVIOHOCNB-GMTAPVOTSA-N 0 3 249.376 0.965 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883403267 591649067 /nfs/dbraw/zinc/64/90/67/591649067.db2.gz NXZUBLAYJITKBM-LLVKDONJSA-N 0 3 248.330 0.819 20 0 BCADHN CCCN(CC(=O)N(C)C)C[C@@H]1C[C@H](F)CN1 ZINC000883420193 591656049 /nfs/dbraw/zinc/65/60/49/591656049.db2.gz FFLKTHYYWUJBGO-QWRGUYRKSA-N 0 3 245.342 0.487 20 0 BCADHN CC(C)[C@H]1C(=O)NCCN1C[C@@H]1C[C@H](F)CN1 ZINC000883421506 591657333 /nfs/dbraw/zinc/65/73/33/591657333.db2.gz NUKPZIVIHOACBN-DCAQKATOSA-N 0 3 243.326 0.143 20 0 BCADHN Cc1nonc1CN1CCNC[C@](C)(F)C1 ZINC000883428817 591660911 /nfs/dbraw/zinc/66/09/11/591660911.db2.gz CUNIMMYZBWVTAL-JTQLQIEISA-N 0 3 228.271 0.511 20 0 BCADHN Cc1nonc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000883436195 591665265 /nfs/dbraw/zinc/66/52/65/591665265.db2.gz MTEJXVKYAJUCDP-HTQZYQBOSA-N 0 3 214.244 0.249 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCN1CCC[C@@H]1C ZINC000132225938 591694026 /nfs/dbraw/zinc/69/40/26/591694026.db2.gz JZIFVYRKEATKLL-QWRGUYRKSA-N 0 3 248.392 0.493 20 0 BCADHN OCc1ccc(CNC[C@@H]2COCCO2)cc1 ZINC000133040223 591756808 /nfs/dbraw/zinc/75/68/08/591756808.db2.gz TUVZUBWPNPKXKA-CYBMUJFWSA-N 0 3 237.299 0.684 20 0 BCADHN C[C@@H](CCO)NC[C@H](O)C(F)(F)F ZINC000133117265 591766093 /nfs/dbraw/zinc/76/60/93/591766093.db2.gz KJNRQWIRXNOFHW-WDSKDSINSA-N 0 3 201.188 0.270 20 0 BCADHN C[C@H](CCO)NC[C@H](O)C(F)(F)F ZINC000133117381 591767054 /nfs/dbraw/zinc/76/70/54/591767054.db2.gz KJNRQWIRXNOFHW-RITPCOANSA-N 0 3 201.188 0.270 20 0 BCADHN COc1nn(C)cc1C(=O)N[C@@H](C)CN(C)C ZINC000883970584 591786412 /nfs/dbraw/zinc/78/64/12/591786412.db2.gz XHWMXCXFQLUZRF-QMMMGPOBSA-N 0 3 240.307 0.109 20 0 BCADHN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCNCC2)C1 ZINC000884008037 591795251 /nfs/dbraw/zinc/79/52/51/591795251.db2.gz ZRDZRTLELQMMRC-MWLCHTKSSA-N 0 3 248.330 0.507 20 0 BCADHN CCN1CCN(c2cc(C)nc(N)n2)C[C@@H]1C ZINC000133491488 591804648 /nfs/dbraw/zinc/80/46/48/591804648.db2.gz SYVLSFAHCYIAAG-JTQLQIEISA-N 0 3 235.335 0.898 20 0 BCADHN CCOC[C@H](C)NCC[S@@](=O)CC ZINC000133494726 591805287 /nfs/dbraw/zinc/80/52/87/591805287.db2.gz KSDWAQPMQQVPOU-TVQRCGJNSA-N 0 3 207.339 0.770 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000884077095 591845975 /nfs/dbraw/zinc/84/59/75/591845975.db2.gz ZKJPEJFPCPTZGB-DCAQKATOSA-N 0 3 228.336 0.997 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@@H](N)CC2CC2)n1 ZINC000884113582 591853196 /nfs/dbraw/zinc/85/31/96/591853196.db2.gz VHNCLLSJYBYDQB-MUWHJKNJSA-N 0 3 238.291 0.683 20 0 BCADHN CC[C@@H](C)C[C@H](C)NC(=O)[C@H](CN)OC ZINC000884142076 591860890 /nfs/dbraw/zinc/86/08/90/591860890.db2.gz QOSTUKMCPAQLBT-UTLUCORTSA-N 0 3 216.325 0.901 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@H](N)CC1CC1)C1CC1 ZINC000884152501 591863137 /nfs/dbraw/zinc/86/31/37/591863137.db2.gz NBVYWACBFPLFOI-ZJUUUORDSA-N 0 3 240.303 0.182 20 0 BCADHN COCCOC[C@H](C)NC(=O)[C@H](N)CC1CC1 ZINC000884154982 591863451 /nfs/dbraw/zinc/86/34/51/591863451.db2.gz SJOCELFHJXYXKU-GXSJLCMTSA-N 0 3 244.335 0.282 20 0 BCADHN Cc1c(NC(=O)[C@H](N)CC2CC2)cnn1C ZINC000884149406 591863878 /nfs/dbraw/zinc/86/38/78/591863878.db2.gz KKEXNRNUZLGQPW-SECBINFHSA-N 0 3 222.292 0.794 20 0 BCADHN COCCOC[C@@H](C)NC(=O)[C@H](N)CC1CC1 ZINC000884154984 591863934 /nfs/dbraw/zinc/86/39/34/591863934.db2.gz SJOCELFHJXYXKU-MWLCHTKSSA-N 0 3 244.335 0.282 20 0 BCADHN Cc1ccn(C)c(=O)c1NC(=O)[C@@H](N)CC1CC1 ZINC000884171260 591866892 /nfs/dbraw/zinc/86/68/92/591866892.db2.gz QOUVONAERZOZOW-JTQLQIEISA-N 0 3 249.314 0.760 20 0 BCADHN N[C@H](CC1CC1)C(=O)Nc1nnc2ccccn21 ZINC000884193658 591870359 /nfs/dbraw/zinc/87/03/59/591870359.db2.gz LRMWEGNVMLIJAN-SECBINFHSA-N 0 3 245.286 0.795 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1nnc2ccccn21 ZINC000884193282 591870668 /nfs/dbraw/zinc/87/06/68/591870668.db2.gz AXYJFOXHVLQJTH-MRVPVSSYSA-N 0 3 249.274 0.032 20 0 BCADHN COc1ccc(NC(=O)[C@H](CN)OC)nc1 ZINC000884226838 591875504 /nfs/dbraw/zinc/87/55/04/591875504.db2.gz BXMYFILSFHEAMB-QMMMGPOBSA-N 0 3 225.248 0.002 20 0 BCADHN COCC[C@H](N)C(=O)Nc1ccc(N)c(C)c1 ZINC000884250428 591884054 /nfs/dbraw/zinc/88/40/54/591884054.db2.gz FBYWYAHQNULHKR-NSHDSACASA-N 0 3 237.303 0.880 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H]2C[C@@H](C)CO2)CCN1 ZINC000884266926 591888845 /nfs/dbraw/zinc/88/88/45/591888845.db2.gz NFFHSFZAPPQWRW-IJLUTSLNSA-N 0 3 240.347 0.868 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@@H]1CCC[C@H]1OC ZINC000884309269 591900275 /nfs/dbraw/zinc/90/02/75/591900275.db2.gz QTZFZYHLWVOKHB-GARJFASQSA-N 0 3 244.335 0.282 20 0 BCADHN CC[C@H]1C[C@@H](NC(=O)[C@H](CN)OC)CCO1 ZINC000884347525 591909015 /nfs/dbraw/zinc/90/90/15/591909015.db2.gz WFMRCCMVSQHIDL-GUBZILKMSA-N 0 3 230.308 0.034 20 0 BCADHN [NH3+][C@@H](CC(=O)[N-]OCC(F)(F)F)C1CC1 ZINC000134360409 591920661 /nfs/dbraw/zinc/92/06/61/591920661.db2.gz MMLCKDFBOVJGFW-LURJTMIESA-N 0 3 226.198 0.724 20 0 BCADHN CCN(C(=O)[C@@H](N)CC1CC1)c1cnn(C)c1 ZINC000884392264 591923011 /nfs/dbraw/zinc/92/30/11/591923011.db2.gz WWRSQAZTGDIXMJ-NSHDSACASA-N 0 3 236.319 0.900 20 0 BCADHN CC[C@H](NC(=O)[C@H](CN)OC)[C@H]1CCCCO1 ZINC000884392979 591923140 /nfs/dbraw/zinc/92/31/40/591923140.db2.gz RQWVADZCLGHREF-AXFHLTTASA-N 0 3 244.335 0.424 20 0 BCADHN CC[C@@H](NC(=O)[C@H](CN)OC)[C@H]1CCCCO1 ZINC000884392981 591923376 /nfs/dbraw/zinc/92/33/76/591923376.db2.gz RQWVADZCLGHREF-MXWKQRLJSA-N 0 3 244.335 0.424 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H](N)CC2CC2)C1 ZINC000884413623 591927707 /nfs/dbraw/zinc/92/77/07/591927707.db2.gz YDCGOGGIRUJQMS-AEJSXWLSSA-N 0 3 240.303 0.182 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000884413053 591927741 /nfs/dbraw/zinc/92/77/41/591927741.db2.gz IAZHTDMBIRDYMA-NKWVEPMBSA-N 0 3 236.262 0.368 20 0 BCADHN CCn1ccnc1[C@H](C)NC(=O)[C@H](CN)OC ZINC000884412346 591928293 /nfs/dbraw/zinc/92/82/93/591928293.db2.gz OILJUQSYVFWUBD-IUCAKERBSA-N 0 3 240.307 0.054 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000884419340 591929343 /nfs/dbraw/zinc/92/93/43/591929343.db2.gz OBNYCJFNZBKRJF-SGIHWFKDSA-N 0 3 230.283 0.309 20 0 BCADHN CCn1nccc1CNC(=O)[C@@H](N)CC1CC1 ZINC000884422037 591929974 /nfs/dbraw/zinc/92/99/74/591929974.db2.gz LAARZFRVYCERJT-NSHDSACASA-N 0 3 236.319 0.647 20 0 BCADHN CCn1nc(C)cc1NC(=O)[C@H](CN)OC ZINC000884440603 591935257 /nfs/dbraw/zinc/93/52/57/591935257.db2.gz MQKXKJXIINJVFN-QMMMGPOBSA-N 0 3 226.280 0.124 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H](C)c1cnc(C)s1 ZINC000884460749 591940897 /nfs/dbraw/zinc/94/08/97/591940897.db2.gz KIBWWODFXGPOFH-SVRRBLITSA-N 0 3 243.332 0.602 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CCCC[C@@H]1F ZINC000884459674 591941355 /nfs/dbraw/zinc/94/13/55/591941355.db2.gz ISJITWJMNOOAGF-YIZRAAEISA-N 0 3 218.272 0.357 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cc(C)cc(N)c1 ZINC000884462063 591941888 /nfs/dbraw/zinc/94/18/88/591941888.db2.gz USTTUOHHZMMNQX-JTQLQIEISA-N 0 3 223.276 0.489 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1cccc(F)c1F ZINC000884463736 591942243 /nfs/dbraw/zinc/94/22/43/591942243.db2.gz QEBSVIWAHARSAL-VIFPVBQESA-N 0 3 244.241 0.555 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccsc1C ZINC000884461787 591942390 /nfs/dbraw/zinc/94/23/90/591942390.db2.gz OBNYBOKLDXZEAW-QMMMGPOBSA-N 0 3 214.290 0.969 20 0 BCADHN Cc1cnc(N2CCN3C[C@H](O)C[C@H]3C2)o1 ZINC000884548804 591976531 /nfs/dbraw/zinc/97/65/31/591976531.db2.gz SBXVYSDXAXSGIF-VHSXEESVSA-N 0 3 223.276 0.238 20 0 BCADHN CN(CCO)CCNc1cc(Cl)nc(N)n1 ZINC000884823929 592021757 /nfs/dbraw/zinc/02/17/57/592021757.db2.gz LEWDBXITWZDGAA-UHFFFAOYSA-N 0 3 245.714 0.048 20 0 BCADHN CN(CCO)CCNc1ncnc2ccccc21 ZINC000884824261 592022614 /nfs/dbraw/zinc/02/26/14/592022614.db2.gz UFHWWDQUKDPIKP-UHFFFAOYSA-N 0 3 246.314 0.966 20 0 BCADHN CN(CCO)CCNc1nccc2nccnc21 ZINC000884826178 592023390 /nfs/dbraw/zinc/02/33/90/592023390.db2.gz MYOZQMJGKFXYOD-UHFFFAOYSA-N 0 3 247.302 0.361 20 0 BCADHN COCCOC(=O)NC[C@H](C)N1CCCC1 ZINC000884936203 592030719 /nfs/dbraw/zinc/03/07/19/592030719.db2.gz DMXUDXGUBDQSRF-JTQLQIEISA-N 0 3 230.308 0.843 20 0 BCADHN COCCOC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000884998224 592032963 /nfs/dbraw/zinc/03/29/63/592032963.db2.gz MDDUTJRWFFXLGU-SECBINFHSA-N 0 3 230.308 0.842 20 0 BCADHN COCCOC(=O)NCCN1CC[C@@H](C)C1 ZINC000885038631 592036530 /nfs/dbraw/zinc/03/65/30/592036530.db2.gz NBISDFCSQXEFAE-SNVBAGLBSA-N 0 3 230.308 0.701 20 0 BCADHN COCCOC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000885055501 592040967 /nfs/dbraw/zinc/04/09/67/592040967.db2.gz XYAZTVBKTHPXNJ-KOLCDFICSA-N 0 3 242.319 0.842 20 0 BCADHN C[C@H]1CCC(=O)CN1C(=O)C1(CN(C)C)CC1 ZINC000885072991 592045977 /nfs/dbraw/zinc/04/59/77/592045977.db2.gz IWWVWNYWMQWOJR-JTQLQIEISA-N 0 3 238.331 0.908 20 0 BCADHN C[C@H]1CCC(=O)CN1C(=O)[C@@H]1CCN(C)C1 ZINC000885079773 592048059 /nfs/dbraw/zinc/04/80/59/592048059.db2.gz CVFSYUDLBKHPDR-VHSXEESVSA-N 0 3 224.304 0.518 20 0 BCADHN COCCOC(=O)N(C)CCN(C)C1CC1 ZINC000885111242 592053273 /nfs/dbraw/zinc/05/32/73/592053273.db2.gz HTHSUACSYLHSAI-UHFFFAOYSA-N 0 3 230.308 0.795 20 0 BCADHN COCCOC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000885203839 592058046 /nfs/dbraw/zinc/05/80/46/592058046.db2.gz AZXXZHXUEKSHPV-LBPRGKRZSA-N 0 3 242.319 0.797 20 0 BCADHN COCCOC(=O)NC[C@@H]1CCN(C)C1 ZINC000885228225 592059720 /nfs/dbraw/zinc/05/97/20/592059720.db2.gz QBNHYBMDYFKIDA-VIFPVBQESA-N 0 3 216.281 0.311 20 0 BCADHN CCO[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000885325122 592066803 /nfs/dbraw/zinc/06/68/03/592066803.db2.gz LYEOYVKRUBFQGX-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CCO[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC000885344342 592070949 /nfs/dbraw/zinc/07/09/49/592070949.db2.gz JLMQPBGUEWEZJW-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN COCCOC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000885350625 592072227 /nfs/dbraw/zinc/07/22/27/592072227.db2.gz SCLIUCGIUUBKCV-WDEREUQCSA-N 0 3 242.319 0.938 20 0 BCADHN CN(CC(=O)NC1CC1)C[C@@H]1C[C@@]12CCOC2 ZINC000885946783 592112810 /nfs/dbraw/zinc/11/28/10/592112810.db2.gz QQZCXVQZDDFAQO-GXFFZTMASA-N 0 3 238.331 0.623 20 0 BCADHN Cc1n[nH]c(CNCCCC(=O)N(C)C)c1C ZINC000885949308 592113780 /nfs/dbraw/zinc/11/37/80/592113780.db2.gz TYFKTJSFVMVZEF-UHFFFAOYSA-N 0 3 238.335 0.985 20 0 BCADHN COC(=O)[C@H]1CCN(C[C@@](C)(O)C(F)F)C1 ZINC000885958827 592115475 /nfs/dbraw/zinc/11/54/75/592115475.db2.gz MGJBBFWGLLWBPZ-OIBJUYFYSA-N 0 3 237.246 0.497 20 0 BCADHN CCNC(=O)CN(C)C[C@@H]1C[C@@]12CCOC2 ZINC000885960624 592115486 /nfs/dbraw/zinc/11/54/86/592115486.db2.gz NTLCLWFBFJQGLR-CMPLNLGQSA-N 0 3 226.320 0.481 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@@H]1C[C@]12CCOC2 ZINC000885965268 592116905 /nfs/dbraw/zinc/11/69/05/592116905.db2.gz KRIKKWUMDKKVOH-GVXVVHGQSA-N 0 3 238.331 0.623 20 0 BCADHN Cc1[nH]nc(CNCCC[S@@](C)=O)c1C ZINC000885991149 592123243 /nfs/dbraw/zinc/12/32/43/592123243.db2.gz XQQBAJSGDNSXGX-OAHLLOKOSA-N 0 3 229.349 0.885 20 0 BCADHN Cc1n[nH]c(CNCCC[S@@](C)=O)c1C ZINC000885991149 592123242 /nfs/dbraw/zinc/12/32/42/592123242.db2.gz XQQBAJSGDNSXGX-OAHLLOKOSA-N 0 3 229.349 0.885 20 0 BCADHN Cc1n[nH]c(CNCC[S@](C)=O)c1C ZINC000885991047 592123357 /nfs/dbraw/zinc/12/33/57/592123357.db2.gz UWJRRKDXVVZKIW-AWEZNQCLSA-N 0 3 215.322 0.495 20 0 BCADHN Cc1[nH]nc(CNCC[S@](C)=O)c1C ZINC000885991047 592123359 /nfs/dbraw/zinc/12/33/59/592123359.db2.gz UWJRRKDXVVZKIW-AWEZNQCLSA-N 0 3 215.322 0.495 20 0 BCADHN CCn1cnnc1CCNCc1[nH]nc(C)c1C ZINC000885990899 592123402 /nfs/dbraw/zinc/12/34/02/592123402.db2.gz RLAZEFMRTBQTPS-UHFFFAOYSA-N 0 3 248.334 0.970 20 0 BCADHN CN(CC(C)(C)O)C[C@](C)(O)C(F)F ZINC000886013124 592127822 /nfs/dbraw/zinc/12/78/22/592127822.db2.gz WJQMQLUBLYFXML-VIFPVBQESA-N 0 3 211.252 0.705 20 0 BCADHN C[C@@](O)(CN1CC[C@@H](CO)C1)C(F)F ZINC000886019272 592132865 /nfs/dbraw/zinc/13/28/65/592132865.db2.gz PPHSCDFUDSNCJK-VXNVDRBHSA-N 0 3 209.236 0.317 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)C[C@](C)(O)C(F)F ZINC000886030303 592136378 /nfs/dbraw/zinc/13/63/78/592136378.db2.gz IXABRXPVFPHRPO-XVKPBYJWSA-N 0 3 238.278 0.316 20 0 BCADHN O[C@@H]1C[C@H](O)CN(C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000886030955 592136826 /nfs/dbraw/zinc/13/68/26/592136826.db2.gz YJOXZYQTAIRGIQ-YVECIDJPSA-N 0 3 241.331 0.372 20 0 BCADHN COC[C@H](O)CCNCc1[nH]nc(C)c1C ZINC000886052440 592141129 /nfs/dbraw/zinc/14/11/29/592141129.db2.gz QOVZOMRMRGJGPA-SNVBAGLBSA-N 0 3 227.308 0.514 20 0 BCADHN C[C@@H]1COCCN(C[C@@](C)(O)C(F)F)C1 ZINC000886087633 592145778 /nfs/dbraw/zinc/14/57/78/592145778.db2.gz XTCFITPEFKOUDE-WCBMZHEXSA-N 0 3 223.263 0.971 20 0 BCADHN CCN(C)C(=O)[C@H](C)NCc1n[nH]c(C)c1C ZINC000886087516 592145880 /nfs/dbraw/zinc/14/58/80/592145880.db2.gz VMIDTTLCGUHWNN-JTQLQIEISA-N 0 3 238.335 0.983 20 0 BCADHN C[C@@H]1CN(C[C@](C)(O)C(F)F)CCN1C ZINC000886092183 592146602 /nfs/dbraw/zinc/14/66/02/592146602.db2.gz QQZIWDCGESSQFY-SCZZXKLOSA-N 0 3 222.279 0.638 20 0 BCADHN Cc1n[nH]c(CN[C@]2(CCO)CCOC2)c1C ZINC000886094718 592147171 /nfs/dbraw/zinc/14/71/71/592147171.db2.gz XZCCWGIIRVJDCT-GFCCVEGCSA-N 0 3 239.319 0.658 20 0 BCADHN Cc1[nH]nc(CN[C@]2(CCO)CCOC2)c1C ZINC000886094718 592147173 /nfs/dbraw/zinc/14/71/73/592147173.db2.gz XZCCWGIIRVJDCT-GFCCVEGCSA-N 0 3 239.319 0.658 20 0 BCADHN COC(CN1CCC(N(C)C(C)=O)CC1)OC ZINC000136751616 592150078 /nfs/dbraw/zinc/15/00/78/592150078.db2.gz KBUXZQRHBNKNON-UHFFFAOYSA-N 0 3 244.335 0.548 20 0 BCADHN COC[C@H]1CCCN(CC(OC)OC)C1 ZINC000136766045 592150496 /nfs/dbraw/zinc/15/04/96/592150496.db2.gz SZZDYQWNPXNWIL-JTQLQIEISA-N 0 3 217.309 0.964 20 0 BCADHN COC(CN1CCC[C@@H](CNC(C)=O)C1)OC ZINC000136750642 592150529 /nfs/dbraw/zinc/15/05/29/592150529.db2.gz WBOCOLBUVTWBGX-NSHDSACASA-N 0 3 244.335 0.453 20 0 BCADHN COC(CN1CCC[C@H](CNC(C)=O)C1)OC ZINC000136750686 592150940 /nfs/dbraw/zinc/15/09/40/592150940.db2.gz WBOCOLBUVTWBGX-LLVKDONJSA-N 0 3 244.335 0.453 20 0 BCADHN OC[C@H](O)CNC/C=C/c1cccc(F)c1 ZINC000886100606 592154696 /nfs/dbraw/zinc/15/46/96/592154696.db2.gz SKLURACBTYTRGQ-FXMSTWTQSA-N 0 3 225.263 0.782 20 0 BCADHN Cc1[nH]nc(CN[C@@H]2C(=O)NCC[C@@H]2C)c1C ZINC000886104794 592155786 /nfs/dbraw/zinc/15/57/86/592155786.db2.gz KTYWSFNFWULRRG-CPCISQLKSA-N 0 3 236.319 0.641 20 0 BCADHN Cc1n[nH]c(CNC[C@]2(C)CCC(=O)N2)c1C ZINC000886138394 592161571 /nfs/dbraw/zinc/16/15/71/592161571.db2.gz JLNDBLUMFLPBJL-LBPRGKRZSA-N 0 3 236.319 0.785 20 0 BCADHN Cc1[nH]nc(CNC[C@]2(C)CCC(=O)N2)c1C ZINC000886138394 592161572 /nfs/dbraw/zinc/16/15/72/592161572.db2.gz JLNDBLUMFLPBJL-LBPRGKRZSA-N 0 3 236.319 0.785 20 0 BCADHN Cc1n[nH]c(CN[C@@H](CO)CCF)c1C ZINC000886153940 592164149 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592459137 /nfs/dbraw/zinc/45/91/37/592459137.db2.gz SUOVFEUQQFGEFN-UHFFFAOYSA-N 0 3 203.261 0.303 20 0 BCADHN CC[C@@](C)(N)c1cn(C[C@](C)(O)C(F)F)nn1 ZINC000887465506 592509260 /nfs/dbraw/zinc/50/92/60/592509260.db2.gz ZZQOFENJMRQLBO-ZJUUUORDSA-N 0 3 248.277 0.878 20 0 BCADHN CC(C)[C@@H](N)c1cn(C[C@](C)(O)C(F)F)nn1 ZINC000887465176 592510683 /nfs/dbraw/zinc/51/06/83/592510683.db2.gz STGYCPJYJLQTMB-SCZZXKLOSA-N 0 3 248.277 0.950 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@H]1CCOC[C@H]1C ZINC000300866082 592523166 /nfs/dbraw/zinc/52/31/66/592523166.db2.gz OTUZWQZXCVYKJF-MNOVXSKESA-N 0 3 249.376 0.824 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCCN1CCCCC1 ZINC000302683925 592551723 /nfs/dbraw/zinc/55/17/23/592551723.db2.gz QSLSVNAPNBRWQL-GFCCVEGCSA-N 0 3 239.363 0.716 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@H](N)CC2CC2)CC[C@@H]1C ZINC000302713172 592553163 /nfs/dbraw/zinc/55/31/63/592553163.db2.gz YKBGTXFKTWJZPZ-MVWJERBFSA-N 0 3 240.347 0.997 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@@H](N)CC2CC2)CC[C@@H]1C ZINC000302713175 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/nfs/dbraw/zinc/67/77/72/592677772.db2.gz TXQBAZBGDGJREB-UHFFFAOYSA-N 0 3 236.319 0.871 20 0 BCADHN CC(C)N(C)CC(=O)NCc1cn(C)cn1 ZINC000890114544 592685674 /nfs/dbraw/zinc/68/56/74/592685674.db2.gz OTOTUADUTQDLAT-UHFFFAOYSA-N 0 3 224.308 0.377 20 0 BCADHN COCC[C@H](N)C(=O)Nc1nc2ccccc2[nH]1 ZINC000110538099 592707872 /nfs/dbraw/zinc/70/78/72/592707872.db2.gz DLCMOLQDIFLSGS-QMMMGPOBSA-N 0 3 248.286 0.865 20 0 BCADHN C[C@@H](N)c1cn([C@H](C)C(=O)NC(C)(C)C)nn1 ZINC000124207227 592716651 /nfs/dbraw/zinc/71/66/51/592716651.db2.gz IUPKDBPKNJJMAT-HTQZYQBOSA-N 0 3 239.323 0.774 20 0 BCADHN CCCCNC(=O)[C@@H](C)n1cc([C@@H](C)N)nn1 ZINC000124164665 592716490 /nfs/dbraw/zinc/71/64/90/592716490.db2.gz GNAFMPDRJAHGGH-RKDXNWHRSA-N 0 3 239.323 0.775 20 0 BCADHN CC(C)CNC(=O)[C@H](C)n1cc([C@@H](C)N)nn1 ZINC000124230946 592717126 /nfs/dbraw/zinc/71/71/26/592717126.db2.gz LHSSQYMJYRPTOS-BDAKNGLRSA-N 0 3 239.323 0.631 20 0 BCADHN C[C@H](N)c1cn(CC(=O)NC2CCCC2)nn1 ZINC000124316813 592717816 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ZINC000824440603 607956954 /nfs/dbraw/zinc/95/69/54/607956954.db2.gz GXNYPUDGFKBEPZ-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN C[C@@H]([NH2+]CCO)c1cccc(-c2nnn[n-]2)c1 ZINC000095248240 608482801 /nfs/dbraw/zinc/48/28/01/608482801.db2.gz RPDQAWZQZKOEPW-MRVPVSSYSA-N 0 3 233.275 0.510 20 0 BCADHN C[C@@H]([NH2+]CCO)c1cccc(-c2nn[n-]n2)c1 ZINC000095248240 608482802 /nfs/dbraw/zinc/48/28/02/608482802.db2.gz RPDQAWZQZKOEPW-MRVPVSSYSA-N 0 3 233.275 0.510 20 0 BCADHN CCOC1CC(CN2CCN(C)[C@H](CO)C2)C1 ZINC000931399466 634391653 /nfs/dbraw/zinc/39/16/53/634391653.db2.gz QYGUYEXSXRGRSF-CPCZMJQVSA-N 0 3 242.363 0.410 20 0 BCADHN CN1CCN(CCCc2ccncc2)C[C@@H]1CO ZINC000931403570 634397590 /nfs/dbraw/zinc/39/75/90/634397590.db2.gz NLYNNKGNFFZFHO-CQSZACIVSA-N 0 3 249.358 0.623 20 0 BCADHN CN1CCN(CCCc2ccncc2)C[C@H]1CO ZINC000931403569 634397797 /nfs/dbraw/zinc/39/77/97/634397797.db2.gz NLYNNKGNFFZFHO-AWEZNQCLSA-N 0 3 249.358 0.623 20 0 BCADHN COC(=O)CCCCCCNC(=O)[C@H](C)N ZINC000195174600 634418819 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/nfs/dbraw/zinc/66/89/58/632668958.db2.gz LPERUVRXAWLIBO-ZETCQYMHSA-N 0 3 243.332 0.022 20 0 BCADHN COC[C@H](O)CN[C@@H](C)c1cc(C)nn1C ZINC000309848482 632675530 /nfs/dbraw/zinc/67/55/30/632675530.db2.gz HWFIAYINSJIEQO-VHSXEESVSA-N 0 3 227.308 0.386 20 0 BCADHN CC(C)C(=O)N[C@@H]1CN(C[C@H](C)O)CC1(C)C ZINC000972820905 632683652 /nfs/dbraw/zinc/68/36/52/632683652.db2.gz HAVNVUKCAPUSOS-WDEREUQCSA-N 0 3 242.363 0.850 20 0 BCADHN Cc1cc(CNC[C@H](O)CO)cnc1Cl ZINC000309178276 632685183 /nfs/dbraw/zinc/68/51/83/632685183.db2.gz NISLFULVWBZKHB-VIFPVBQESA-N 0 3 230.695 0.486 20 0 BCADHN OC[C@H](O)CNCc1cnc2ccccc2c1 ZINC000309992391 632691856 /nfs/dbraw/zinc/69/18/56/632691856.db2.gz GSUDENWLSKMLPG-GFCCVEGCSA-N 0 3 232.283 0.678 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000310146005 632703352 /nfs/dbraw/zinc/70/33/52/632703352.db2.gz FMEJLUCYAKLHQN-SDDRHHMPSA-N 0 3 238.331 0.894 20 0 BCADHN C[C@@H](O)C[C@H]1CCCN1Cc1cnc(N)cn1 ZINC000310218457 632709233 /nfs/dbraw/zinc/70/92/33/632709233.db2.gz MIFAFXMGVIOPSH-MWLCHTKSSA-N 0 3 236.319 0.794 20 0 BCADHN CCCOC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000310251565 632712294 /nfs/dbraw/zinc/71/22/94/632712294.db2.gz ODVZNFFFRNRBNY-QWRGUYRKSA-N 0 3 242.319 0.986 20 0 BCADHN Cc1cc(N2C[C@H](O)C(C)(C)C2)nc(N)n1 ZINC000309247379 632839935 /nfs/dbraw/zinc/83/99/35/632839935.db2.gz CSVMEQGIUOKARE-QMMMGPOBSA-N 0 3 222.292 0.574 20 0 BCADHN CCN1CCC[C@@H]1CN[C@@H](C)c1cnn(C)n1 ZINC000924559576 632847859 /nfs/dbraw/zinc/84/78/59/632847859.db2.gz KYGTYNJITKNRSY-WDEREUQCSA-N 0 3 237.351 0.950 20 0 BCADHN COC(=O)N(C)CCN[C@H](C)c1ccnnc1 ZINC000926714017 632862025 /nfs/dbraw/zinc/86/20/25/632862025.db2.gz XNXWEGGJFRIINR-SECBINFHSA-N 0 3 238.291 0.825 20 0 BCADHN CCN(C(=O)[C@@H](N)CCOC)C1CC1 ZINC000052791306 632896150 /nfs/dbraw/zinc/89/61/50/632896150.db2.gz PGYYTIIFWDBICX-VIFPVBQESA-N 0 3 200.282 0.361 20 0 BCADHN COCC[C@H](N)C(=O)N1CCCC[C@@H]1C ZINC000052790633 632895412 /nfs/dbraw/zinc/89/54/12/632895412.db2.gz SJMKGBOCHDQJLX-UWVGGRQHSA-N 0 3 214.309 0.751 20 0 BCADHN CCCN(CC)C(=O)[C@@H](N)CCOC ZINC000052791318 632895994 /nfs/dbraw/zinc/89/59/94/632895994.db2.gz CXJYXPYYFCJKRZ-VIFPVBQESA-N 0 3 202.298 0.609 20 0 BCADHN CCC[C@H](C)N(C)C(=O)[C@H](N)CCOC ZINC000052791528 632896651 /nfs/dbraw/zinc/89/66/51/632896651.db2.gz VAPDQSKKYAMWQO-VHSXEESVSA-N 0 3 216.325 0.997 20 0 BCADHN COCC[C@H](N)C(=O)NC1CCCC1 ZINC000052790650 632897871 /nfs/dbraw/zinc/89/78/71/632897871.db2.gz GMIIMEBMWMGZTH-VIFPVBQESA-N 0 3 200.282 0.409 20 0 BCADHN CCC[C@H](C)NC(=O)[C@H](N)CCOC ZINC000052790728 632898037 /nfs/dbraw/zinc/89/80/37/632898037.db2.gz QJSBLDWLNXGCBJ-DTWKUNHWSA-N 0 3 202.298 0.655 20 0 BCADHN CN(CCO)CCNC(=O)c1cccc(O)c1 ZINC000925016516 635850631 /nfs/dbraw/zinc/85/06/31/635850631.db2.gz PWYDHPFAQSQJQV-UHFFFAOYSA-N 0 3 238.287 0.046 20 0 BCADHN COCC[C@H](N)C(=O)NCCCC(C)C ZINC000052809238 632899795 /nfs/dbraw/zinc/89/97/95/632899795.db2.gz RWMMZCREQUDTKS-JTQLQIEISA-N 0 3 216.325 0.903 20 0 BCADHN COCC[C@@H](N)C(=O)N(C)CC(F)(F)F ZINC000052807986 632899953 /nfs/dbraw/zinc/89/99/53/632899953.db2.gz PGTQPTJFXRDYQU-ZCFIWIBFSA-N 0 3 228.214 0.371 20 0 BCADHN Cc1cc(N2CCOC[C@@H](C)C2)nc(N)n1 ZINC000309297014 632903307 /nfs/dbraw/zinc/90/33/07/632903307.db2.gz RVOGDKTWDCQGRQ-QMMMGPOBSA-N 0 3 222.292 0.840 20 0 BCADHN C[C@@H](NCc1cnn(C)n1)C1CCOCC1 ZINC000309299336 632904492 /nfs/dbraw/zinc/90/44/92/632904492.db2.gz XWBDEGRPMXODIF-SECBINFHSA-N 0 3 224.308 0.720 20 0 BCADHN COC1(OC)CC[C@H]1N[C@@H]1CCN(C(C)=O)C1 ZINC000926737877 632925832 /nfs/dbraw/zinc/92/58/32/632925832.db2.gz PMVMCJPGFBHROS-GHMZBOCLSA-N 0 3 242.319 0.348 20 0 BCADHN C[C@@H](N[C@H](CO)c1ccnn1C)C(C)(C)CO ZINC000926742939 632940755 /nfs/dbraw/zinc/94/07/55/632940755.db2.gz LMETYPMUVKRRLG-NXEZZACHSA-N 0 3 241.335 0.450 20 0 BCADHN COC(=O)CCCCCCCNC(=O)CN ZINC000237141725 635870433 /nfs/dbraw/zinc/87/04/33/635870433.db2.gz GWOKDMAZTQWDIV-UHFFFAOYSA-N 0 3 230.308 0.575 20 0 BCADHN COC(CN1CCC(OC(C)=O)CC1)OC ZINC000162043573 633018890 /nfs/dbraw/zinc/01/88/90/633018890.db2.gz SFDOKDMDXOZKGE-UHFFFAOYSA-N 0 3 231.292 0.633 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1COC[C@@H]1C ZINC000926772707 633024874 /nfs/dbraw/zinc/02/48/74/633024874.db2.gz SLZGPOGXFXQMND-DJLDLDEBSA-N 0 3 216.281 0.019 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1COC[C@@H]1C ZINC000926772704 633025016 /nfs/dbraw/zinc/02/50/16/633025016.db2.gz SLZGPOGXFXQMND-CIUDSAMLSA-N 0 3 216.281 0.019 20 0 BCADHN CC(C)[N@@H+]1CC[C@@H](CNc2cc(=O)[n-]cn2)C1 ZINC000162657453 633035212 /nfs/dbraw/zinc/03/52/12/633035212.db2.gz KNNPJXGJRYODAD-JTQLQIEISA-N 0 3 236.319 0.912 20 0 BCADHN CC(C)[N@H+]1CC[C@@H](CNc2cc(=O)[n-]cn2)C1 ZINC000162657453 633035219 /nfs/dbraw/zinc/03/52/19/633035219.db2.gz KNNPJXGJRYODAD-JTQLQIEISA-N 0 3 236.319 0.912 20 0 BCADHN CC1CC[NH+](CCNc2cc(=O)[n-]cn2)CC1 ZINC000162655292 633035675 /nfs/dbraw/zinc/03/56/75/633035675.db2.gz FLDFMFQVQVMMHR-UHFFFAOYSA-N 0 3 236.319 0.914 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)NCc1cnc[nH]1 ZINC000163816529 633064768 /nfs/dbraw/zinc/06/47/68/633064768.db2.gz NWZLBHRRUWHNGU-RKDXNWHRSA-N 0 3 224.308 0.803 20 0 BCADHN CC[C@@]1(CO)CCCN([C@@H]2CCN(C)C2=O)C1 ZINC000187584693 633069354 /nfs/dbraw/zinc/06/93/54/633069354.db2.gz WPUHKFBLSBEGLY-DGCLKSJQSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H]1COC[C@@H]1NC1CN(c2ccncn2)C1 ZINC000926792719 633077528 /nfs/dbraw/zinc/07/75/28/633077528.db2.gz CBVTVLRJLCCYTH-ONGXEEELSA-N 0 3 234.303 0.290 20 0 BCADHN CC[C@@H]1COC[C@@H]1NC1CN(c2ccncn2)C1 ZINC000926794331 633079956 /nfs/dbraw/zinc/07/99/56/633079956.db2.gz ZEGIMCXXAONLPU-PWSUYJOCSA-N 0 3 248.330 0.680 20 0 BCADHN C[C@@H]1C[C@H](Nc2cc(=O)[n-]cn2)CC[N@@H+]1C ZINC000165316180 633089215 /nfs/dbraw/zinc/08/92/15/633089215.db2.gz MHHZGVZBKUACRX-RKDXNWHRSA-N 0 3 222.292 0.665 20 0 BCADHN C[C@@H]1C[C@H](Nc2cc(=O)[n-]cn2)CC[N@H+]1C ZINC000165316180 633089218 /nfs/dbraw/zinc/08/92/18/633089218.db2.gz MHHZGVZBKUACRX-RKDXNWHRSA-N 0 3 222.292 0.665 20 0 BCADHN CCCNC(=O)[C@H](C)n1cc([C@@H](C)N)nn1 ZINC000167124730 633125143 /nfs/dbraw/zinc/12/51/43/633125143.db2.gz VPMCKRVTNYQPGU-SFYZADRCSA-N 0 3 225.296 0.385 20 0 BCADHN Cc1ncc(C(=O)N[C@@H]2CCN(C)[C@H]2C)c(N)n1 ZINC000928430908 635916117 /nfs/dbraw/zinc/91/61/17/635916117.db2.gz JZTWXWRDDCAQEF-OIBJUYFYSA-N 0 3 249.318 0.190 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2ncc[nH]2)CCN1C ZINC000928431352 635917638 /nfs/dbraw/zinc/91/76/38/635917638.db2.gz DPCANHWJHAOYKE-JGVFFNPUSA-N 0 3 208.265 0.232 20 0 BCADHN COC[C@H](CO)N[C@H]1CCCc2n[nH]cc21 ZINC000309632437 633215883 /nfs/dbraw/zinc/21/58/83/633215883.db2.gz IHELXQMNKHXVFX-WPRPVWTQSA-N 0 3 225.292 0.384 20 0 BCADHN COC(=O)N1CC(N[C@@H](C)COC(C)C)C1 ZINC000309669475 633221209 /nfs/dbraw/zinc/22/12/09/633221209.db2.gz VKFHGJNOXMCYGM-VIFPVBQESA-N 0 3 230.308 0.840 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@](C)(O)C2CCC2)CCN1C ZINC000928433462 635926399 /nfs/dbraw/zinc/92/63/99/635926399.db2.gz LWSNWYONNQWZSF-XWIASGKRSA-N 0 3 240.347 0.746 20 0 BCADHN CCn1nncc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928433277 635926413 /nfs/dbraw/zinc/92/64/13/635926413.db2.gz LWAIRAVQZZJKGD-BDAKNGLRSA-N 0 3 237.307 0.120 20 0 BCADHN COc1cc(CN[C@H](CCO)C2CC2)on1 ZINC000851932457 633223478 /nfs/dbraw/zinc/22/34/78/633223478.db2.gz HBFLASQKUVHPJN-SNVBAGLBSA-N 0 3 226.276 0.934 20 0 BCADHN NC(=O)C[C@@H]1CCCN(c2ccncc2CO)C1 ZINC000892773677 633225669 /nfs/dbraw/zinc/22/56/69/633225669.db2.gz AJUXEUDTUWZSEH-JTQLQIEISA-N 0 3 249.314 0.666 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CCN1C ZINC000928434474 635929889 /nfs/dbraw/zinc/92/98/89/635929889.db2.gz FAAOLYJDBBYPOO-KOLCDFICSA-N 0 3 224.304 0.542 20 0 BCADHN Cc1cc(CC(=O)N[C@@H]2CCN(C)[C@H]2C)on1 ZINC000928436230 635932215 /nfs/dbraw/zinc/93/22/15/635932215.db2.gz OMBWUPBBAJHHJY-GXSJLCMTSA-N 0 3 237.303 0.734 20 0 BCADHN C[C@@H]1[C@H](NC(=O)C2(C)COC2)CCN1C ZINC000928436663 635932480 /nfs/dbraw/zinc/93/24/80/635932480.db2.gz JVANSAWVGCDQHZ-RKDXNWHRSA-N 0 3 212.293 0.232 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2ccn(C)c2)CCN1C ZINC000928439757 635936351 /nfs/dbraw/zinc/93/63/51/635936351.db2.gz LWXVZKHOWMYEKH-ONGXEEELSA-N 0 3 221.304 0.848 20 0 BCADHN C[S@@](=O)CCN1CCC[C@@](C)(O)C1 ZINC000306773502 635974865 /nfs/dbraw/zinc/97/48/65/635974865.db2.gz IWAHHNAQSVBKGP-NOZJJQNGSA-N 0 3 205.323 0.212 20 0 BCADHN COC[C@@H](CC(C)C)NCC(=O)N(C)OC ZINC000895042245 636018830 /nfs/dbraw/zinc/01/88/30/636018830.db2.gz CGCORNIBPNDWAF-SNVBAGLBSA-N 0 3 232.324 0.657 20 0 BCADHN CCNC(=S)N[C@@H]1CCN(CC)C1 ZINC000307043550 635980309 /nfs/dbraw/zinc/98/03/09/635980309.db2.gz MZBJTZLQZOQNEV-MRVPVSSYSA-N 0 3 201.339 0.565 20 0 BCADHN COCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C ZINC001029178517 636002780 /nfs/dbraw/zinc/00/27/80/636002780.db2.gz OZSRQFQHAVEXFD-PHIMTYICSA-N 0 3 226.320 0.716 20 0 BCADHN CO[C@H](C)CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000237179294 636043331 /nfs/dbraw/zinc/04/33/31/636043331.db2.gz KVQXDJYUWLVWOH-LPEHRKFASA-N 0 3 214.309 0.620 20 0 BCADHN CC(C)OCCNCCS(C)(=O)=O ZINC000049259461 636047266 /nfs/dbraw/zinc/04/72/66/636047266.db2.gz KSNCCUBMBHTPBV-UHFFFAOYSA-N 0 3 209.311 0.046 20 0 BCADHN CN1CC[C@@H]1CNC(=O)CCc1c[nH]cn1 ZINC000928556784 636095797 /nfs/dbraw/zinc/09/57/97/636095797.db2.gz CKDNDRSIBDDHHC-SNVBAGLBSA-N 0 3 222.292 0.163 20 0 BCADHN CN1CC[C@@H]1CNC(=O)CCc1cnc[nH]1 ZINC000928556784 636095800 /nfs/dbraw/zinc/09/58/00/636095800.db2.gz CKDNDRSIBDDHHC-SNVBAGLBSA-N 0 3 222.292 0.163 20 0 BCADHN COC(=O)CC(C)(C)NCC(=O)NC(C)(C)C ZINC000178324189 633761455 /nfs/dbraw/zinc/76/14/55/633761455.db2.gz DPMRZDVXIIYONQ-UHFFFAOYSA-N 0 3 244.335 0.832 20 0 BCADHN CCCS(=O)(=O)CCN[C@H]1CCOC1(C)C ZINC000328420753 633763933 /nfs/dbraw/zinc/76/39/33/633763933.db2.gz YWGHZXXXIYQEHE-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN CCN1CCN(C[C@H]2COCCO2)[C@H](C)C1 ZINC000930453440 633824910 /nfs/dbraw/zinc/82/49/10/633824910.db2.gz UZCDHEZKBSMYJY-NEPJUHHUSA-N 0 3 228.336 0.428 20 0 BCADHN C[C@H]1C[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001026006298 633832297 /nfs/dbraw/zinc/83/22/97/633832297.db2.gz SOKMGFHBMPWTNO-VLLVSFFDSA-N 0 3 238.331 0.071 20 0 BCADHN CC[C@@H]1CN(c2cc(C)nc(N)n2)C[C@@H]1O ZINC000309283279 633883194 /nfs/dbraw/zinc/88/31/94/633883194.db2.gz NWAIQRKRSLVKLA-BDAKNGLRSA-N 0 3 222.292 0.574 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@H]1C[C@@H]1C ZINC000228717097 633939658 /nfs/dbraw/zinc/93/96/58/633939658.db2.gz WTPPKHOBRKZRBT-YIZRAAEISA-N 0 3 200.282 0.122 20 0 BCADHN COC[C@@H](CNCc1ccc(F)nc1)OC ZINC000309956201 633978216 /nfs/dbraw/zinc/97/82/16/633978216.db2.gz IMZOBMYNDHKLHE-SNVBAGLBSA-N 0 3 228.267 0.972 20 0 BCADHN CCO[C@H]1COCC[C@H]1NCc1c[nH]cn1 ZINC000309673766 633986626 /nfs/dbraw/zinc/98/66/26/633986626.db2.gz XAUMLUGBHVMZGT-MNOVXSKESA-N 0 3 225.292 0.693 20 0 BCADHN CCO[C@H]1COCC[C@H]1NCc1cnc[nH]1 ZINC000309673766 633986630 /nfs/dbraw/zinc/98/66/30/633986630.db2.gz XAUMLUGBHVMZGT-MNOVXSKESA-N 0 3 225.292 0.693 20 0 BCADHN Cc1cc(N)nc(N[C@H]2C[C@@H](O)C2(C)C)n1 ZINC000893267049 634012932 /nfs/dbraw/zinc/01/29/32/634012932.db2.gz RRQCXHBYWQEVCM-JGVFFNPUSA-N 0 3 222.292 0.939 20 0 BCADHN CN1C[C@H](CCNc2ccncc2CO)CC1=O ZINC000895477901 636150091 /nfs/dbraw/zinc/15/00/91/636150091.db2.gz FDILBHPIYLAJCR-SNVBAGLBSA-N 0 3 249.314 0.276 20 0 BCADHN COC(=O)/C(C)=C/CNc1nc(C)cc(N)n1 ZINC000895514695 636154053 /nfs/dbraw/zinc/15/40/53/636154053.db2.gz XREFBVCEXAVOJS-QPJJXVBHSA-N 0 3 236.275 0.898 20 0 BCADHN Cc1nc(F)ccc1CNC[C@](C)(O)CO ZINC000309840289 634023207 /nfs/dbraw/zinc/02/32/07/634023207.db2.gz CTVQXAVUHTWVCA-NSHDSACASA-N 0 3 228.267 0.362 20 0 BCADHN COC[C@H](CNCc1ccc(F)nc1)OC ZINC000309956198 634050504 /nfs/dbraw/zinc/05/05/04/634050504.db2.gz IMZOBMYNDHKLHE-JTQLQIEISA-N 0 3 228.267 0.972 20 0 BCADHN COC(=O)/C(C)=C\CN[C@](C)(C(N)=O)C(C)C ZINC000310474385 634152575 /nfs/dbraw/zinc/15/25/75/634152575.db2.gz APQYVMKVRJMCBI-PWWFUAJNSA-N 0 3 242.319 0.595 20 0 BCADHN CCCCN(C)CCNCCS(C)(=O)=O ZINC000053345031 634170001 /nfs/dbraw/zinc/17/00/01/634170001.db2.gz DEJVXYCUCLTEFA-UHFFFAOYSA-N 0 3 236.381 0.353 20 0 BCADHN C[C@@H](O)CCCN1CCc2c(=O)[nH]n(C)c2C1 ZINC000931193573 634265393 /nfs/dbraw/zinc/26/53/93/634265393.db2.gz FGCFSSTXLNGUDJ-SECBINFHSA-N 0 3 239.319 0.645 20 0 BCADHN CC(=O)N1CC[C@@H](CNCc2cnns2)C1 ZINC001026629890 634266993 /nfs/dbraw/zinc/26/69/93/634266993.db2.gz DZIAQMFOHRICRL-VIFPVBQESA-N 0 3 240.332 0.496 20 0 BCADHN CC(=O)N1CC[C@@H](CNCc2cnc(C)cn2)C1 ZINC001026630449 634268467 /nfs/dbraw/zinc/26/84/67/634268467.db2.gz MRZQCLUGQCBNPF-LBPRGKRZSA-N 0 3 248.330 0.743 20 0 BCADHN CC(C)SCCNCCS(C)(=O)=O ZINC000053623212 634274493 /nfs/dbraw/zinc/27/44/93/634274493.db2.gz OFIFDCVKBGMWET-UHFFFAOYSA-N 0 3 225.379 0.762 20 0 BCADHN CN(C[C@@H]1CCC=CO1)CC(C)(CO)CO ZINC000193978490 634299081 /nfs/dbraw/zinc/29/90/81/634299081.db2.gz MIKNACOYUBTNIP-NSHDSACASA-N 0 3 229.320 0.602 20 0 BCADHN CC[C@H](CO)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000258884029 635217078 /nfs/dbraw/zinc/21/70/78/635217078.db2.gz XXGPMXCYBRJUBV-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN Cc1cccc(CNC(=O)[C@@H]2CNCCN2C)c1 ZINC000259101029 635241529 /nfs/dbraw/zinc/24/15/29/635241529.db2.gz ZLCOJZXIGUNELH-ZDUSSCGKSA-N 0 3 247.342 0.515 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N1CCCN(CCCO)CC1 ZINC000980658571 635252462 /nfs/dbraw/zinc/25/24/62/635252462.db2.gz DHPNSZCITQHCTF-RYUDHWBXSA-N 0 3 240.347 0.559 20 0 BCADHN CC(C)=CC(=O)N1CCCN(C[C@H](C)O)CC1 ZINC000980661731 635253929 /nfs/dbraw/zinc/25/39/29/635253929.db2.gz KFZQYXDNLDQNLX-LBPRGKRZSA-N 0 3 240.347 0.868 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@@H](N)CC ZINC000236811361 635302477 /nfs/dbraw/zinc/30/24/77/635302477.db2.gz CCVDHCIKITZQEY-QMMMGPOBSA-N 0 3 216.281 0.183 20 0 BCADHN O=C(c1cn[nH]n1)N1CCCN(CC2CC2)CC1 ZINC000981533083 635369285 /nfs/dbraw/zinc/36/92/85/635369285.db2.gz UAHFPVZPYOOVDU-UHFFFAOYSA-N 0 3 249.318 0.363 20 0 BCADHN O=C(NC[C@H]1CCCN1CCO)[C@@H]1CC12CC2 ZINC001028163856 635441894 /nfs/dbraw/zinc/44/18/94/635441894.db2.gz DAAOFCCGWMGXQW-MNOVXSKESA-N 0 3 238.331 0.359 20 0 BCADHN COc1cccc(C[C@@H](C)N[C@@H]2CNOC2)n1 ZINC000925862392 635561139 /nfs/dbraw/zinc/56/11/39/635561139.db2.gz PZIUVPDMTJJZRC-MWLCHTKSSA-N 0 3 237.303 0.514 20 0 BCADHN CC/C(C)=C\C(=O)NC[C@@H]1C[C@H](O)CN1C ZINC000924976981 635820963 /nfs/dbraw/zinc/82/09/63/635820963.db2.gz AVIAGEKCNAIECU-ZUBHOKJJSA-N 0 3 226.320 0.524 20 0 BCADHN C/C=C/C=C/C(=O)NC[C@@H]1C[C@@H](O)CN1C ZINC000924994087 635831348 /nfs/dbraw/zinc/83/13/48/635831348.db2.gz XIAUSGJKCRWRLC-LPJSFPNVSA-N 0 3 224.304 0.300 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2cn(C3CC3)nn2)CCN1C ZINC000928430864 635914633 /nfs/dbraw/zinc/91/46/33/635914633.db2.gz ZUMWLSBLMMJXSB-SCZZXKLOSA-N 0 3 249.318 0.435 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2cnn3c2CCC3)CCN1C ZINC000928435890 635931396 /nfs/dbraw/zinc/93/13/96/635931396.db2.gz SJWPXLRVLAIJDW-KOLCDFICSA-N 0 3 248.330 0.652 20 0 BCADHN CN1CCNC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000213269254 636120532 /nfs/dbraw/zinc/12/05/32/636120532.db2.gz MQFVFCYWLYQOIV-CYBMUJFWSA-N 0 3 245.326 0.479 20 0 BCADHN CC(C)(C)N1CC[C@H]1C(=O)NCc1c[nH]nn1 ZINC000896825080 636222707 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/nfs/dbraw/zinc/62/59/12/636625912.db2.gz NVHYBFBMIQXKKZ-NXEZZACHSA-N 0 3 227.308 0.180 20 0 BCADHN C[C@H]1CN(CC2(O)CCCCC2)C[C@H](CO)O1 ZINC000191765223 636629193 /nfs/dbraw/zinc/62/91/93/636629193.db2.gz MVPFTHLGDVETAA-NWDGAFQWSA-N 0 3 243.347 0.763 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000862541941 636629734 /nfs/dbraw/zinc/62/97/34/636629734.db2.gz AASGJZMLBYBXFX-MIMYLULJSA-N 0 3 242.319 0.552 20 0 BCADHN CC(=O)N1C[C@H](NCc2cncn2C)C[C@H]1C ZINC000987630232 636656969 /nfs/dbraw/zinc/65/69/69/636656969.db2.gz BTQPJFYFQQJSJM-MWLCHTKSSA-N 0 3 236.319 0.519 20 0 BCADHN CSCC(=O)N1C[C@H](NCCF)C[C@@H]1C ZINC000987978351 636673580 /nfs/dbraw/zinc/67/35/80/636673580.db2.gz ZSAPIPUUFBSKBU-DTWKUNHWSA-N 0 3 234.340 0.898 20 0 BCADHN C[C@H]1C[C@H](NCCF)CN1C(=O)c1cn[nH]c1 ZINC000988188257 636681080 /nfs/dbraw/zinc/68/10/80/636681080.db2.gz IKHZPYOXEBKTQF-WPRPVWTQSA-N 0 3 240.282 0.572 20 0 BCADHN C[C@H]1C[C@H](NCCF)CN1C(=O)c1cocn1 ZINC000988336440 636691629 /nfs/dbraw/zinc/69/16/29/636691629.db2.gz BQIDMGHPEJHRDV-IUCAKERBSA-N 0 3 241.266 0.837 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1CCSC1 ZINC000163470565 636781303 /nfs/dbraw/zinc/78/13/03/636781303.db2.gz STLNGTJEJJOJSV-QMMMGPOBSA-N 0 3 223.363 0.516 20 0 BCADHN CC[C@H]1NC(=O)N(C[C@H]2CCCN2C)C1=O ZINC000925290977 636736708 /nfs/dbraw/zinc/73/67/08/636736708.db2.gz GMXDUZVGFGGKIQ-RKDXNWHRSA-N 0 3 225.292 0.411 20 0 BCADHN CN1CCC[C@H](N2C(=O)NC3(CCC3)C2=O)C1 ZINC000925293053 636741449 /nfs/dbraw/zinc/74/14/49/636741449.db2.gz PCJJJFDGEHLAFS-VIFPVBQESA-N 0 3 237.303 0.555 20 0 BCADHN CN1CCC[C@H]1CN1C(=O)N[C@@H](C2CC2)C1=O ZINC000925293654 636743173 /nfs/dbraw/zinc/74/31/73/636743173.db2.gz QPSAKGKBHXYAQD-UWVGGRQHSA-N 0 3 237.303 0.411 20 0 BCADHN C[C@@H]1C[C@@H](NCCF)CN1C(=O)CC(C)(C)O ZINC000988728555 636770376 /nfs/dbraw/zinc/77/03/76/636770376.db2.gz HPFDRFLHBQSGDP-NXEZZACHSA-N 0 3 246.326 0.696 20 0 BCADHN CC(C)CN1CCN(C[C@@H](O)[C@H](C)O)CC1 ZINC000929093002 636791598 /nfs/dbraw/zinc/79/15/98/636791598.db2.gz XNXCRDQURNYCEE-NWDGAFQWSA-N 0 3 230.352 0.002 20 0 BCADHN CN1CCC[C@H](N2C(=O)N[C@@H](CCF)C2=O)C1 ZINC000925298165 636799685 /nfs/dbraw/zinc/79/96/85/636799685.db2.gz NPEJFUZXQVGHLR-IUCAKERBSA-N 0 3 243.282 0.361 20 0 BCADHN CCN1CCC[C@H](N2C(=O)[C@H](C)N(C)C2=O)C1 ZINC000925300415 636800851 /nfs/dbraw/zinc/80/08/51/636800851.db2.gz VYIKWWVLKCCPRX-UWVGGRQHSA-N 0 3 239.319 0.753 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](O)C2)CCN1C ZINC000925305646 636808988 /nfs/dbraw/zinc/80/89/88/636808988.db2.gz DHBBTWILVKTWDR-MXWKQRLJSA-N 0 3 241.335 0.245 20 0 BCADHN O=C1NC(=O)C2(CN(C[C@@H]3CC[C@H]4C[C@H]4C3)C2)N1 ZINC000897902830 636848301 /nfs/dbraw/zinc/84/83/01/636848301.db2.gz SLJYHTOVIAQSKR-KXUCPTDWSA-N 0 3 249.314 0.316 20 0 BCADHN CCN(CCOC)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925323151 636864275 /nfs/dbraw/zinc/86/42/75/636864275.db2.gz YWQSWFUOLYWUGS-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN C[C@H]1[C@H](NC(=O)N2CCO[C@H](C)C2)CCN1C ZINC000925324248 636872099 /nfs/dbraw/zinc/87/20/99/636872099.db2.gz YMOUJOXRWOOHMV-OUAUKWLOSA-N 0 3 241.335 0.509 20 0 BCADHN CC(=O)N1CCC(NCc2cc(C)ncn2)CC1 ZINC000989832998 636883231 /nfs/dbraw/zinc/88/32/31/636883231.db2.gz HAPLABVKFFNAIM-UHFFFAOYSA-N 0 3 248.330 0.886 20 0 BCADHN NC1(C(=O)Nc2ccc(-n3ccnc3)nc2)CC1 ZINC000088130006 636897010 /nfs/dbraw/zinc/89/70/10/636897010.db2.gz AVEUJWWFMOCBKN-UHFFFAOYSA-N 0 3 243.270 0.697 20 0 BCADHN O[C@@H](CN[C@@H]1COC[C@H]1O)c1ccccc1F ZINC000323099322 636899575 /nfs/dbraw/zinc/89/95/75/636899575.db2.gz AZOMXRYYJUMJIM-GRYCIOLGSA-N 0 3 241.262 0.208 20 0 BCADHN CCC[C@H](O)CNC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925327520 636911331 /nfs/dbraw/zinc/91/13/31/636911331.db2.gz GCQZXNOGCSKQIJ-VWYCJHECSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@H](CCO)CNC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925327749 636916547 /nfs/dbraw/zinc/91/65/47/636916547.db2.gz RNFVJLMRGIPRIQ-GMTAPVOTSA-N 0 3 243.351 0.397 20 0 BCADHN COCC(C)(C)NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925329120 636922517 /nfs/dbraw/zinc/92/25/17/636922517.db2.gz LHOKVXAZMIUMFR-NXEZZACHSA-N 0 3 243.351 0.803 20 0 BCADHN COCC(C)(C)NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925329124 636922597 /nfs/dbraw/zinc/92/25/97/636922597.db2.gz LHOKVXAZMIUMFR-VHSXEESVSA-N 0 3 243.351 0.803 20 0 BCADHN CCON1CCC(NCc2ccn(C)n2)CC1 ZINC000323378057 636927113 /nfs/dbraw/zinc/92/71/13/636927113.db2.gz OTGDQCJBPZSSGL-UHFFFAOYSA-N 0 3 238.335 0.926 20 0 BCADHN Nc1cnc(CNCCc2ccccn2)cn1 ZINC000873211916 636980080 /nfs/dbraw/zinc/98/00/80/636980080.db2.gz SCWFLDWAESBDEE-UHFFFAOYSA-N 0 3 229.287 0.786 20 0 BCADHN C[C@@H]1CC[C@H](N2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000924657787 636980903 /nfs/dbraw/zinc/98/09/03/636980903.db2.gz CMOQQEPWIUPYMR-UTLUCORTSA-N 0 3 239.319 0.657 20 0 BCADHN Cc1ncoc1CNC(=O)N(C)CCN(C)C ZINC000923800042 637013817 /nfs/dbraw/zinc/01/38/17/637013817.db2.gz QGYUHRKVTCOZFF-UHFFFAOYSA-N 0 3 240.307 0.686 20 0 BCADHN C[C@H](NCCO[C@H]1CCOC1)c1cn[nH]c1 ZINC000927079796 637019778 /nfs/dbraw/zinc/01/97/78/637019778.db2.gz FZJSWUXRZVUQRZ-ONGXEEELSA-N 0 3 225.292 0.866 20 0 BCADHN C[C@H](NC[C@@H]1CCCOC1)c1cnn(C)n1 ZINC000924726049 637038043 /nfs/dbraw/zinc/03/80/43/637038043.db2.gz KJRFGPUYZXWCRW-UWVGGRQHSA-N 0 3 224.308 0.892 20 0 BCADHN C[C@@H](NC[C@H](O)c1ccnn1C)c1ccnn1C ZINC000927132212 637042535 /nfs/dbraw/zinc/04/25/35/637042535.db2.gz TXPGFEMEJYARBK-SKDRFNHKSA-N 0 3 249.318 0.538 20 0 BCADHN CN1CC[C@](O)(CNC(=O)NC/C=C\Cl)C1 ZINC000899048359 637074777 /nfs/dbraw/zinc/07/47/77/637074777.db2.gz UHNARTIMERQGQM-GQPNGRKGSA-N 0 3 247.726 0.105 20 0 BCADHN CCNC(=S)N1CCN(C)CCN(C)CC1 ZINC000899651812 637103427 /nfs/dbraw/zinc/10/34/27/637103427.db2.gz DGWMURMRGLSNAE-UHFFFAOYSA-N 0 3 244.408 0.060 20 0 BCADHN CO[C@@H]1CCC[C@H]1N[C@H](CO)c1cnn(C)c1 ZINC000903130642 637347055 /nfs/dbraw/zinc/34/70/55/637347055.db2.gz MXOBGYQFROMJJR-IJLUTSLNSA-N 0 3 239.319 0.611 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CCO[C@@]12CCOC2 ZINC000903152794 637347637 /nfs/dbraw/zinc/34/76/37/637347637.db2.gz PPAULBBSMAJDLZ-ZYHUDNBSSA-N 0 3 242.319 0.002 20 0 BCADHN Cn1ncc(Cl)c1CNCCCON ZINC000904456479 637418878 /nfs/dbraw/zinc/41/88/78/637418878.db2.gz DLSUEPXMGKFJKO-UHFFFAOYSA-N 0 3 218.688 0.444 20 0 BCADHN Nc1ccc(CN[C@@H]2COC[C@@H]2C2CC2)nn1 ZINC000904476900 637427547 /nfs/dbraw/zinc/42/75/47/637427547.db2.gz SRJZUPJJRYGMEF-GHMZBOCLSA-N 0 3 234.303 0.573 20 0 BCADHN C[C@@H]1NC(=S)N([C@H]2CCN(C)[C@H]2C)C1=O ZINC000905000512 637537721 /nfs/dbraw/zinc/53/77/21/637537721.db2.gz YGGLMZQEUIVZJT-FXQIFTODSA-N 0 3 227.333 0.184 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H]1CCN(OC)C1=O ZINC000905004675 637541944 /nfs/dbraw/zinc/54/19/44/637541944.db2.gz QUWQDZRVUQVJKY-DJLDLDEBSA-N 0 3 216.281 0.162 20 0 BCADHN CO[C@@H]([C@@H](C)N[C@@H]1CCN(OC)C1=O)C1CC1 ZINC000905004701 637542216 /nfs/dbraw/zinc/54/22/16/637542216.db2.gz RALWVSWKPFNONP-IEBDPFPHSA-N 0 3 242.319 0.552 20 0 BCADHN CC(C)(C(=O)NCCO)N1CCCCC1 ZINC000905036814 637557038 /nfs/dbraw/zinc/55/70/38/637557038.db2.gz KPGKHJAWNTXQDN-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN COC(=O)Cn1cc(CNC(C)(C)C)nn1 ZINC000905057190 637592936 /nfs/dbraw/zinc/59/29/36/637592936.db2.gz RBWGCPBUWWCCCB-UHFFFAOYSA-N 0 3 226.280 0.339 20 0 BCADHN CCC[C@H](N)c1cn(C2=NOCC2)nn1 ZINC000905061601 637596286 /nfs/dbraw/zinc/59/62/86/637596286.db2.gz INLWJKRYRWUSQL-ZETCQYMHSA-N 0 3 209.253 0.660 20 0 BCADHN O[C@@H](CNCc1ccoc1)C[C@@]1(O)CCOC1 ZINC000905070409 637604240 /nfs/dbraw/zinc/60/42/40/637604240.db2.gz ZNCNDMKPNQOVSG-NEPJUHHUSA-N 0 3 241.287 0.272 20 0 BCADHN Cc1c(CNC[C@@H](O)C2(O)CCC2)cnn1C ZINC000905190996 637671107 /nfs/dbraw/zinc/67/11/07/637671107.db2.gz RAVZLLPAVSKIMR-LLVKDONJSA-N 0 3 239.319 0.094 20 0 BCADHN CC[C@@](O)(CNC[C@](C)(O)CO)C(F)(F)F ZINC000905351756 637770739 /nfs/dbraw/zinc/77/07/39/637770739.db2.gz BPKZLBLYCMDSRW-JGVFFNPUSA-N 0 3 245.241 0.023 20 0 BCADHN CCn1nccc1CNC[C@@H](O)C1(O)CCC1 ZINC000905383414 637784697 /nfs/dbraw/zinc/78/46/97/637784697.db2.gz BXVAEQQUOJKCDA-LLVKDONJSA-N 0 3 239.319 0.269 20 0 BCADHN Cc1cccc([C@@H](O)CN[C@@H]2COC[C@@H]2O)c1 ZINC000905400027 637795574 /nfs/dbraw/zinc/79/55/74/637795574.db2.gz PGQALZKVJYHDPD-AGIUHOORSA-N 0 3 237.299 0.378 20 0 BCADHN CC[C@](O)(CNC[C@H](O)[C@H](C)O)C(F)(F)F ZINC000905404432 637796404 /nfs/dbraw/zinc/79/64/04/637796404.db2.gz NYZXBXZWTYPXFK-FXQIFTODSA-N 0 3 245.241 0.021 20 0 BCADHN CS(=O)(=O)CCNC[C@H]1CC2(CCC2)CO1 ZINC000905472017 637830158 /nfs/dbraw/zinc/83/01/58/637830158.db2.gz FLSAYDWABSYGIJ-SNVBAGLBSA-N 0 3 247.360 0.580 20 0 BCADHN COC(=O)[C@@H](F)CNCC1(O)CCCC1 ZINC000905489558 637834867 /nfs/dbraw/zinc/83/48/67/637834867.db2.gz LHCNRTQXEHUHIK-QMMMGPOBSA-N 0 3 219.256 0.392 20 0 BCADHN COC(=O)/C(C)=C\CNC[C@H](O)COC(C)C ZINC000905532782 637845048 /nfs/dbraw/zinc/84/50/48/637845048.db2.gz SYKFOSVWJKRHKV-VQNWOSHQSA-N 0 3 245.319 0.481 20 0 BCADHN COC(=O)/C(C)=C/CNC[C@H](O)CSC ZINC000905532932 637845084 /nfs/dbraw/zinc/84/50/84/637845084.db2.gz UTNPJZJTMQHUBB-SGDMMICCSA-N 0 3 233.333 0.419 20 0 BCADHN COC(=O)/C(C)=C\CNC[C@@H](O)COC(C)C ZINC000905532779 637845897 /nfs/dbraw/zinc/84/58/97/637845897.db2.gz SYKFOSVWJKRHKV-GULOHRGCSA-N 0 3 245.319 0.481 20 0 BCADHN CCOCC[C@H](O)C[NH2+]Cc1cncc([O-])c1 ZINC000905627686 637861563 /nfs/dbraw/zinc/86/15/63/637861563.db2.gz XFDOYMOKWLFOQE-NSHDSACASA-N 0 3 240.303 0.664 20 0 BCADHN CCOCC[C@H](O)CNCc1cncc(O)c1 ZINC000905627686 637861569 /nfs/dbraw/zinc/86/15/69/637861569.db2.gz XFDOYMOKWLFOQE-NSHDSACASA-N 0 3 240.303 0.664 20 0 BCADHN CSC[C@H](O)CNCc1cncc(O)c1 ZINC000905627226 637862035 /nfs/dbraw/zinc/86/20/35/637862035.db2.gz UAKGLZCYJHLXFF-SNVBAGLBSA-N 0 3 228.317 0.601 20 0 BCADHN C[C@H]1[C@H](NC(=S)NCC2CC2)CCN1C ZINC000905651453 637869614 /nfs/dbraw/zinc/86/96/14/637869614.db2.gz WCEKOQLGGSALPU-WCBMZHEXSA-N 0 3 227.377 0.953 20 0 BCADHN CSC[C@H](O)CNCc1cnn(CCF)c1 ZINC000905657912 637872159 /nfs/dbraw/zinc/87/21/59/637872159.db2.gz ZJWGTAFNFBQMLY-SNVBAGLBSA-N 0 3 247.339 0.666 20 0 BCADHN CCN1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000668474790 637883938 /nfs/dbraw/zinc/88/39/38/637883938.db2.gz FDWBQHQOIKKNRV-GDNZZTSVSA-N 0 3 238.331 0.433 20 0 BCADHN CC(C)(O)C[C@@H](O)CNC/C=C/Cl ZINC000905706148 637890425 /nfs/dbraw/zinc/89/04/25/637890425.db2.gz GGTIYNYPRFDHCE-MPJRPATESA-N 0 3 207.701 0.850 20 0 BCADHN O[C@H](CNC/C=C\Cl)C1(O)CCCC1 ZINC000905707903 637891889 /nfs/dbraw/zinc/89/18/89/637891889.db2.gz LSODZMWWEJNTGP-JVBZPZKUSA-N 0 3 219.712 0.995 20 0 BCADHN O[C@@H](CNC/C=C\Cl)C1(O)CCCC1 ZINC000905707904 637891968 /nfs/dbraw/zinc/89/19/68/637891968.db2.gz LSODZMWWEJNTGP-RWIWAZIYSA-N 0 3 219.712 0.995 20 0 BCADHN O[C@H](CNC/C=C\Cl)C1(O)CCC1 ZINC000905708547 637892378 /nfs/dbraw/zinc/89/23/78/637892378.db2.gz QOKMADBZQWCGNR-ZTHSNPKKSA-N 0 3 205.685 0.604 20 0 BCADHN O[C@H](CNC/C=C/Cl)C1(O)CCCC1 ZINC000905707902 637892516 /nfs/dbraw/zinc/89/25/16/637892516.db2.gz LSODZMWWEJNTGP-BSPAPZMXSA-N 0 3 219.712 0.995 20 0 BCADHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)CO ZINC000905730503 637900767 /nfs/dbraw/zinc/90/07/67/637900767.db2.gz YPJNWNLBQBWKGK-GFCCVEGCSA-N 0 3 248.326 0.888 20 0 BCADHN CC[C@H](N)c1cn([C@H]2CCN(OC)C2=O)nn1 ZINC000905838988 637939608 /nfs/dbraw/zinc/93/96/08/637939608.db2.gz GSXXSOVOTRWPNH-CBAPKCEASA-N 0 3 239.279 0.023 20 0 BCADHN O[C@H](CN1CCSCC1)C1(O)CCCC1 ZINC000905906984 637970811 /nfs/dbraw/zinc/97/08/11/637970811.db2.gz CVCBUUPWSACCCL-SNVBAGLBSA-N 0 3 231.361 0.701 20 0 BCADHN COCC1CN(C[C@@H](O)CC2(O)CCCC2)C1 ZINC000905973830 637988364 /nfs/dbraw/zinc/98/83/64/637988364.db2.gz YSPWCCYPSKSOSL-LBPRGKRZSA-N 0 3 243.347 0.621 20 0 BCADHN COCC1CN(C[C@H](O)CC2(O)CCCC2)C1 ZINC000905973829 637988508 /nfs/dbraw/zinc/98/85/08/637988508.db2.gz YSPWCCYPSKSOSL-GFCCVEGCSA-N 0 3 243.347 0.621 20 0 BCADHN COC[C@H]1CCN1C[C@H](O)C1(O)CCCC1 ZINC000905955447 638002924 /nfs/dbraw/zinc/00/29/24/638002924.db2.gz FOUGEPZLBFNEKJ-MNOVXSKESA-N 0 3 229.320 0.373 20 0 BCADHN CC(C)(C(=O)NCCCO)N1CCCCC1 ZINC000906042416 638032639 /nfs/dbraw/zinc/03/26/39/638032639.db2.gz BEGJWQBQUXIRLT-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN CCCCN[C@H]1CS(=O)(=O)C1(C)C ZINC000906537726 638204155 /nfs/dbraw/zinc/20/41/55/638204155.db2.gz JNSUGBHEJXYXET-QMMMGPOBSA-N 0 3 205.323 0.952 20 0 BCADHN C[C@@H](C(=O)NC[C@@H]1CCCN1C)c1cnccn1 ZINC000906676610 638232101 /nfs/dbraw/zinc/23/21/01/638232101.db2.gz NMTQXSOIIUGSJK-MNOVXSKESA-N 0 3 248.330 0.791 20 0 BCADHN CC(C)N(C)CCNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000906682352 638232410 /nfs/dbraw/zinc/23/24/10/638232410.db2.gz MZLFKPQOSAYCLH-YUSALJHKSA-N 0 3 238.331 0.668 20 0 BCADHN C[C@H](C(=O)NC[C@@H]1CCCN1C)c1cnccn1 ZINC000906676611 638232875 /nfs/dbraw/zinc/23/28/75/638232875.db2.gz NMTQXSOIIUGSJK-QWRGUYRKSA-N 0 3 248.330 0.791 20 0 BCADHN C[C@H](C(=O)N(C)CCN(C)C)c1cnccn1 ZINC000906883312 638261287 /nfs/dbraw/zinc/26/12/87/638261287.db2.gz SSAVTJVVUKEYQZ-JTQLQIEISA-N 0 3 236.319 0.600 20 0 BCADHN C[C@@H](C(=O)N1CCNC(C)(C)C1)c1cnccn1 ZINC000906895065 638274016 /nfs/dbraw/zinc/27/40/16/638274016.db2.gz HUUHNBXBVNBCMV-SNVBAGLBSA-N 0 3 248.330 0.791 20 0 BCADHN CC1=CCN(CCNC(=O)CCC(N)=O)CC1 ZINC000907385913 638369074 /nfs/dbraw/zinc/36/90/74/638369074.db2.gz ODBXZCSTZWTIIG-UHFFFAOYSA-N 0 3 239.319 0.020 20 0 BCADHN CCN(CCO)CCNC(=O)/C=C(\C)Cl ZINC000907440164 638377241 /nfs/dbraw/zinc/37/72/41/638377241.db2.gz CRHRTHYRQZVFGW-CMDGGOBGSA-N 0 3 234.727 0.559 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H]2C[C@]2(CO)C1)N(C)C ZINC000907610366 638410117 /nfs/dbraw/zinc/41/01/17/638410117.db2.gz GLBVNSXYYBLAQZ-JBLDHEPKSA-N 0 3 226.320 0.167 20 0 BCADHN C[C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1CO ZINC000907631823 638423882 /nfs/dbraw/zinc/42/38/82/638423882.db2.gz HMTLIWDCRGZOHN-JQWIXIFHSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H](O)C[C@@H]1C)N(C)C ZINC000907664247 638438675 /nfs/dbraw/zinc/43/86/75/638438675.db2.gz PGGKKXQXXPIKIO-GUBZILKMSA-N 0 3 214.309 0.308 20 0 BCADHN CC1CN(C(=O)c2ccnn2CCN(C)C)C1 ZINC000907765064 638465122 /nfs/dbraw/zinc/46/51/22/638465122.db2.gz FDPGHSPHCULZIJ-UHFFFAOYSA-N 0 3 236.319 0.537 20 0 BCADHN C/C=C/[C@H](O)C(=O)N1CCCN(C)C[C@@H]1CC ZINC000907930934 638506800 /nfs/dbraw/zinc/50/68/00/638506800.db2.gz ROGICHLAAAEXEU-XTPCBIOYSA-N 0 3 240.347 0.866 20 0 BCADHN Cc1cc(N2CCC[C@H](C(N)=O)C2)nc(N)n1 ZINC000043532800 638518711 /nfs/dbraw/zinc/51/87/11/638518711.db2.gz MSUGQRJPBDHKTI-QMMMGPOBSA-N 0 3 235.291 0.069 20 0 BCADHN CS/C=C/C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908204646 638608722 /nfs/dbraw/zinc/60/87/22/638608722.db2.gz SEJAEUSCPPEKRO-LJJSCBMDSA-N 0 3 244.360 0.436 20 0 BCADHN C/C=C(\C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908205068 638609442 /nfs/dbraw/zinc/60/94/42/638609442.db2.gz VADZAKHZMIHYLS-JNZVDCKRSA-N 0 3 226.320 0.526 20 0 BCADHN CC/C(C)=C\C(=O)N[C@H](CO)CN1CCCC1 ZINC000908202720 638609764 /nfs/dbraw/zinc/60/97/64/638609764.db2.gz JXNBPVALXGJVEV-KGTBHZDVSA-N 0 3 240.347 0.916 20 0 BCADHN C/C=C/C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908208038 638611866 /nfs/dbraw/zinc/61/18/66/638611866.db2.gz LSDKJKILGLMIAI-JYBNPQIESA-N 0 3 212.293 0.135 20 0 BCADHN CN(C)CCCS(=O)(=O)NC/C=C\Cl ZINC000908453072 638741275 /nfs/dbraw/zinc/74/12/75/638741275.db2.gz PSHPRXTVPTWFOX-HYXAFXHYSA-N 0 3 240.756 0.610 20 0 BCADHN CN(CCS(N)(=O)=O)CC1CCCC1 ZINC000077272758 711464489 /nfs/dbraw/zinc/46/44/89/711464489.db2.gz VNRAPOKXQMKOPI-UHFFFAOYSA-N 0 3 220.338 0.397 20 0 BCADHN C[C@@H](C(=O)N1CCN2CC[C@H]1C2)[C@H]1CCCO1 ZINC000908532773 639005250 /nfs/dbraw/zinc/00/52/50/639005250.db2.gz AISLVGXZXCDYCY-GRYCIOLGSA-N 0 3 238.331 0.718 20 0 BCADHN C[C@H](O)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908570492 639021521 /nfs/dbraw/zinc/02/15/21/639021521.db2.gz FSEXGRNIJMVLRJ-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CN1CCN(C(=O)CO)CC12CCCCC2 ZINC000908573370 639021643 /nfs/dbraw/zinc/02/16/43/639021643.db2.gz PORGUOAFIAFCNP-UHFFFAOYSA-N 0 3 226.320 0.456 20 0 BCADHN C/C=C/[C@H](O)C(=O)N(CC)C1CCN(C)CC1 ZINC000908913101 639090706 /nfs/dbraw/zinc/09/07/06/639090706.db2.gz HHWMPKHJEIOFSE-FUEXJSSKSA-N 0 3 240.347 0.866 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000874880458 639215662 /nfs/dbraw/zinc/21/56/62/639215662.db2.gz JKTDKMMTKLPOLD-MNOVXSKESA-N 0 3 240.347 0.700 20 0 BCADHN CSCC[C@@H](N)C(=O)N1C[C@H](C)OC[C@H]1C ZINC000163585256 639217407 /nfs/dbraw/zinc/21/74/07/639217407.db2.gz YSNISQUTKSGJED-KXUCPTDWSA-N 0 3 246.376 0.703 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)c1ccn(C)n1)N(C)C ZINC000909927205 639274190 /nfs/dbraw/zinc/27/41/90/639274190.db2.gz WSZUWLCGHXIDAM-KOLCDFICSA-N 0 3 238.335 0.938 20 0 BCADHN C/C=C\[C@H](O)C(=O)N1CCCN(CC)C[C@@H]1C ZINC000910265451 639396388 /nfs/dbraw/zinc/39/63/88/639396388.db2.gz HHLBEQGTHXEFME-OCWOOEOGSA-N 0 3 240.347 0.866 20 0 BCADHN CCN1CC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000910471717 639463594 /nfs/dbraw/zinc/46/35/94/639463594.db2.gz FVTRTJLICDBVMT-SECBINFHSA-N 0 3 222.292 0.163 20 0 BCADHN C/C=C\[C@H](O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000911201657 639595722 /nfs/dbraw/zinc/59/57/22/639595722.db2.gz RBPSLJODYJGQPA-UARRTVENSA-N 0 3 226.320 0.476 20 0 BCADHN C/C=C\[C@H](O)C(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000911511105 639659226 /nfs/dbraw/zinc/65/92/26/639659226.db2.gz FDFBUYBPCLKAOK-XSCYXQHBSA-N 0 3 240.347 0.866 20 0 BCADHN CCCN(C(=O)CC(=O)OC)[C@H]1CCN(C)C1 ZINC000911511728 639659324 /nfs/dbraw/zinc/65/93/24/639659324.db2.gz KIWZWWVMDZLWAB-JTQLQIEISA-N 0 3 242.319 0.492 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CO[C@@H](C)C1)N(C)C ZINC000911600394 639673761 /nfs/dbraw/zinc/67/37/61/639673761.db2.gz YYKVRPMSULLAJJ-AEJSXWLSSA-N 0 3 214.309 0.620 20 0 BCADHN CC[C@H](CO)N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000930274749 639679105 /nfs/dbraw/zinc/67/91/05/639679105.db2.gz HRMFLXHXYBZRRP-UTUOFQBUSA-N 0 3 229.320 0.637 20 0 BCADHN Cc1ncc2n1C[C@H](C(=O)N1CCNCC1)CC2 ZINC000911648122 639705612 /nfs/dbraw/zinc/70/56/12/639705612.db2.gz IUISFEZGGXIUHY-LLVKDONJSA-N 0 3 248.330 0.186 20 0 BCADHN CC(C)[C@](C)(NCc1ccc(N)nc1)C(N)=O ZINC000930460447 639761340 /nfs/dbraw/zinc/76/13/40/639761340.db2.gz MXLMIJQZMAHFLA-LBPRGKRZSA-N 0 3 236.319 0.653 20 0 BCADHN C[C@H](O)[C@@H](O)CN1CCCc2occc2C1 ZINC000930506361 639787004 /nfs/dbraw/zinc/78/70/04/639787004.db2.gz MXPNHGKEYARYMA-ONGXEEELSA-N 0 3 225.288 0.770 20 0 BCADHN C[C@H](O)[C@H](O)CN1CCCc2occc2C1 ZINC000930506357 639788216 /nfs/dbraw/zinc/78/82/16/639788216.db2.gz MXPNHGKEYARYMA-GXSJLCMTSA-N 0 3 225.288 0.770 20 0 BCADHN C[C@H](O)[C@H](O)CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000930508750 639790245 /nfs/dbraw/zinc/79/02/45/639790245.db2.gz RRANUGDJGNODBG-USZNOCQGSA-N 0 3 243.347 0.618 20 0 BCADHN C[C@H]1CN(C[C@@H](O)CO)CCC1(F)F ZINC000930512339 639791145 /nfs/dbraw/zinc/79/11/45/639791145.db2.gz DKIZJWDSLONSGP-JGVFFNPUSA-N 0 3 209.236 0.317 20 0 BCADHN C[C@]12CCN(C[C@@H](O)CO)C[C@H]1C2(F)F ZINC000930540504 639800018 /nfs/dbraw/zinc/80/00/18/639800018.db2.gz RBIDXOYADIVNBV-HLTSFMKQSA-N 0 3 221.247 0.317 20 0 BCADHN COC(=O)/C=C(/C)CN1CC[C@@H](O)C1(C)C ZINC000930530065 639801439 /nfs/dbraw/zinc/80/14/39/639801439.db2.gz LWLLTWLJYQLWHK-UJICNMFASA-N 0 3 227.304 0.951 20 0 BCADHN Nc1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)cn1 ZINC000930543243 639807659 /nfs/dbraw/zinc/80/76/59/639807659.db2.gz PGQWZXGFFRRGDH-URLYPYJESA-N 0 3 219.288 0.334 20 0 BCADHN CCOC(=O)/C=C\CN(C)C1(CO)CCC1 ZINC000930555924 639810793 /nfs/dbraw/zinc/81/07/93/639810793.db2.gz YIARGEXWNAHDAJ-XQRVVYSFSA-N 0 3 227.304 0.953 20 0 BCADHN CCCN(CC(N)=O)C[C@@H]1C[C@H]1C(=O)OCC ZINC000930561984 639811705 /nfs/dbraw/zinc/81/17/05/639811705.db2.gz VPRVZOMLUJYEGL-VHSXEESVSA-N 0 3 242.319 0.383 20 0 BCADHN COC(=O)/C=C(\C)CN1CCC[C@@H](O)CC1 ZINC000930588782 639814983 /nfs/dbraw/zinc/81/49/83/639814983.db2.gz ITFKVXMRIOJEKK-RJCSOLBVSA-N 0 3 227.304 0.953 20 0 BCADHN C[C@@H]1CN(C(=O)C[C@@H](N)C(F)F)C[C@@H](C)N1 ZINC000911798655 639820400 /nfs/dbraw/zinc/82/04/00/639820400.db2.gz VUVHINKQYNPLOK-BWZBUEFSSA-N 0 3 235.278 0.178 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C/c2cn(C)cn2)C[C@H](C)N1 ZINC000911798648 639820548 /nfs/dbraw/zinc/82/05/48/639820548.db2.gz VUGOJDWGSRQJSF-UZPIOYONSA-N 0 3 248.330 0.642 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C\c2cn(C)cn2)C[C@@H](C)N1 ZINC000911798650 639821461 /nfs/dbraw/zinc/82/14/61/639821461.db2.gz VUGOJDWGSRQJSF-WQMVXFAESA-N 0 3 248.330 0.642 20 0 BCADHN C[C@@H](Cc1c[nH]cn1)C(=O)N1CCN[C@@H](C)C1 ZINC000911802730 639823888 /nfs/dbraw/zinc/82/38/88/639823888.db2.gz MAAAMZWDNCZKSF-UWVGGRQHSA-N 0 3 236.319 0.409 20 0 BCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1nnc[n-]1 ZINC000930614780 639823936 /nfs/dbraw/zinc/82/39/36/639823936.db2.gz MIDKAMPPCHQYNM-SECBINFHSA-N 0 3 237.307 0.294 20 0 BCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1nnc[n-]1 ZINC000930614780 639823941 /nfs/dbraw/zinc/82/39/41/639823941.db2.gz MIDKAMPPCHQYNM-SECBINFHSA-N 0 3 237.307 0.294 20 0 BCADHN CCOCCOCCN[C@@H]1COC[C@H]1OCC ZINC000930660215 639851212 /nfs/dbraw/zinc/85/12/12/639851212.db2.gz JCBWEWVFIQDLPD-VXGBXAGGSA-N 0 3 247.335 0.433 20 0 BCADHN CON1CC[C@H](N2CC[C@H](CCCO)C2)C1=O ZINC000930675494 639859606 /nfs/dbraw/zinc/85/96/06/639859606.db2.gz MGSHBLPDCQAQCW-QWRGUYRKSA-N 0 3 242.319 0.243 20 0 BCADHN Cn1nccc1[C@@H](CO)NCCN1CCCC1 ZINC000930699317 639865802 /nfs/dbraw/zinc/86/58/02/639865802.db2.gz GHOONCFBESLEAN-LLVKDONJSA-N 0 3 238.335 0.139 20 0 BCADHN 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/nfs/dbraw/zinc/24/50/44/644245044.db2.gz CPEFMIHEMOSJCN-IUCAKERBSA-N 0 3 215.297 0.720 20 0 BCADHN CC1=NO[C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000823662507 644258397 /nfs/dbraw/zinc/25/83/97/644258397.db2.gz DBUIHRWDJUJVRZ-MWLCHTKSSA-N 0 3 237.303 0.504 20 0 BCADHN CCCN(CC)[C@@H]1CCN(OC)C1=O ZINC000929366496 644280660 /nfs/dbraw/zinc/28/06/60/644280660.db2.gz JRNXDEZLLZQPHQ-SECBINFHSA-N 0 3 200.282 0.881 20 0 BCADHN C[C@H](O)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923270992 644306083 /nfs/dbraw/zinc/30/60/83/644306083.db2.gz CPWFGCXTPFZDNU-AEJSXWLSSA-N 0 3 212.293 0.062 20 0 BCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccncn1 ZINC000923272254 644306766 /nfs/dbraw/zinc/30/67/66/644306766.db2.gz FJXJOPPUKHLDLV-WDEREUQCSA-N 0 3 246.314 0.785 20 0 BCADHN COC[C@H](C)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923290670 644325657 /nfs/dbraw/zinc/32/56/57/644325657.db2.gz IWNICISQGQRESS-TUAOUCFPSA-N 0 3 240.347 0.964 20 0 BCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)C1=COCC1 ZINC000923293930 644330489 /nfs/dbraw/zinc/33/04/89/644330489.db2.gz ZJTCRDQRLCCMQN-NWDGAFQWSA-N 0 3 236.315 0.986 20 0 BCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1cnc[nH]1 ZINC000923312993 644341154 /nfs/dbraw/zinc/34/11/54/644341154.db2.gz ANQZLCLKOMWJDE-NWDGAFQWSA-N 0 3 248.330 0.647 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)NCCOCCF)CCN1C ZINC000923359119 644372462 /nfs/dbraw/zinc/37/24/62/644372462.db2.gz MBFZZOKZKJENAO-ZJUUUORDSA-N 0 3 247.314 0.364 20 0 BCADHN C[C@H](N)C(=O)NCc1cn(-c2ccccc2)nn1 ZINC000083957167 644415895 /nfs/dbraw/zinc/41/58/95/644415895.db2.gz LRPFEDBQYXJQGE-VIFPVBQESA-N 0 3 245.286 0.231 20 0 BCADHN C[C@@H](N)C(=O)NCc1cc2c([nH]c1=O)CCCC2 ZINC000083956695 644416100 /nfs/dbraw/zinc/41/61/00/644416100.db2.gz ZNLRCXDNFCUOEE-MRVPVSSYSA-N 0 3 249.314 0.217 20 0 BCADHN CS(=O)(=O)CCNCCOC(F)(F)F ZINC000084177809 644418796 /nfs/dbraw/zinc/41/87/96/644418796.db2.gz ZYJZPCQPHKPFAW-UHFFFAOYSA-N 0 3 235.227 0.157 20 0 BCADHN Cc1cc(CNC[C@@H](O)C2CC2)n(C)n1 ZINC000084244537 644420701 /nfs/dbraw/zinc/42/07/01/644420701.db2.gz TURHHUGQHWMFAM-LLVKDONJSA-N 0 3 209.293 0.589 20 0 BCADHN COCC[C@H](N)C(=O)N1CCC(C)(C)C1 ZINC000087253514 644484821 /nfs/dbraw/zinc/48/48/21/644484821.db2.gz DTYGYDIFGOZGRS-VIFPVBQESA-N 0 3 214.309 0.609 20 0 BCADHN C(C1CC1)[C@H]1COCCN1C[C@H]1CNCCO1 ZINC000923556848 644500636 /nfs/dbraw/zinc/50/06/36/644500636.db2.gz YFSGFKDDQWGDRX-QWHCGFSZSA-N 0 3 240.347 0.476 20 0 BCADHN CN(CCS(N)(=O)=O)CC1CCCCC1 ZINC000740874591 644562410 /nfs/dbraw/zinc/56/24/10/644562410.db2.gz SEPHATIPPIDPCL-UHFFFAOYSA-N 0 3 234.365 0.787 20 0 BCADHN CC[C@H]1CCN(CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000246236165 644576410 /nfs/dbraw/zinc/57/64/10/644576410.db2.gz NMZBMRWXBQLGHS-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CCON(C)C(=O)NCCN(C)CCOC ZINC000753457879 644605635 /nfs/dbraw/zinc/60/56/35/644605635.db2.gz QWQMKWQQONZCCX-UHFFFAOYSA-N 0 3 233.312 0.158 20 0 BCADHN CON(C)C(=O)CN1CCC[C@@H]1C(C)(C)O ZINC000091631995 644635093 /nfs/dbraw/zinc/63/50/93/644635093.db2.gz KQIZVSZOYMJHDV-SECBINFHSA-N 0 3 230.308 0.242 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H](O)C(C)(C)C ZINC000764966309 644660282 /nfs/dbraw/zinc/66/02/82/644660282.db2.gz ADGHULOJSIHHCE-SNVBAGLBSA-N 0 3 246.351 0.088 20 0 BCADHN CO[C@H](C)CC(=O)N(CCN(C)C)C1CC1 ZINC000776553619 644706815 /nfs/dbraw/zinc/70/68/15/644706815.db2.gz YDMFKQRHHVBLEA-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@H](C1CC1)N(C)CC(=O)N1CCO[C@@H](C)C1 ZINC000249222975 644717122 /nfs/dbraw/zinc/71/71/22/644717122.db2.gz FJRLBWDISJODAV-WDEREUQCSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)[C@H](C(=O)NCCOC(N)=O)N(C)C ZINC000783668380 644759102 /nfs/dbraw/zinc/75/91/02/644759102.db2.gz ZDPSTKDRBOWFLR-MRVPVSSYSA-N 0 3 231.296 0.198 20 0 BCADHN COCC[C@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000252102768 644834997 /nfs/dbraw/zinc/83/49/97/644834997.db2.gz GNPAVYNTBDYQFM-MXWKQRLJSA-N 0 3 228.336 0.997 20 0 BCADHN Cc1cc(N2CCC[C@H]2CCO)nc(N)n1 ZINC000303742428 644841873 /nfs/dbraw/zinc/84/18/73/644841873.db2.gz QRSSXARXSGESBG-VIFPVBQESA-N 0 3 222.292 0.718 20 0 BCADHN COC(CN(CCOCCO)C(C)C)OC ZINC000304279042 644886445 /nfs/dbraw/zinc/88/64/45/644886445.db2.gz DWUXJJUTEXXAOD-UHFFFAOYSA-N 0 3 235.324 0.325 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000304303157 644890205 /nfs/dbraw/zinc/89/02/05/644890205.db2.gz BNSPQVGPOFKVST-QWRGUYRKSA-N 0 3 226.320 0.751 20 0 BCADHN CCN1CCN(C(=O)[C@H](N)CC2CC2)CC1 ZINC000304337036 644893931 /nfs/dbraw/zinc/89/39/31/644893931.db2.gz IIJBPBZGDRJTKC-LLVKDONJSA-N 0 3 225.336 0.278 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCCc1nccs1 ZINC000304407991 644902680 /nfs/dbraw/zinc/90/26/80/644902680.db2.gz XKHDQDZKDXINPG-SECBINFHSA-N 0 3 239.344 0.929 20 0 BCADHN Nc1cnc(CN2CCC[C@@H]2CCO)cn1 ZINC000304581610 644917222 /nfs/dbraw/zinc/91/72/22/644917222.db2.gz QTQITROCUVQMRN-SNVBAGLBSA-N 0 3 222.292 0.406 20 0 BCADHN COCC[C@H](N)C(=O)N1C[C@@H](C)C[C@H]1C ZINC000253083650 644937522 /nfs/dbraw/zinc/93/75/22/644937522.db2.gz YBDHDHYRZAVJBF-AEJSXWLSSA-N 0 3 214.309 0.607 20 0 BCADHN CO[C@@H](CNC[C@H](C)O)C(F)(F)F ZINC000819067150 645003191 /nfs/dbraw/zinc/00/31/91/645003191.db2.gz GLYXJBCEOXAYHD-WDSKDSINSA-N 0 3 201.188 0.534 20 0 BCADHN CCC(=CC(=O)N[C@H](CO)CN(C)C)CC ZINC000819824718 645020673 /nfs/dbraw/zinc/02/06/73/645020673.db2.gz MLQFFHUWNYZIPO-NSHDSACASA-N 0 3 228.336 0.772 20 0 BCADHN CCC(=CC(=O)N[C@@H](CO)CN(C)C)CC ZINC000819824717 645020846 /nfs/dbraw/zinc/02/08/46/645020846.db2.gz MLQFFHUWNYZIPO-LLVKDONJSA-N 0 3 228.336 0.772 20 0 BCADHN C/C=C(/C=C\C(=O)N[C@H](CO)CN(C)C)CC ZINC000819824254 645021143 /nfs/dbraw/zinc/02/11/43/645021143.db2.gz JKNWEZJUXOWSRW-KAQTULFHSA-N 0 3 240.347 0.938 20 0 BCADHN Cn1cnc(/C=C\C(=O)[N-]OCC[NH+](C)C)c1 ZINC000820997468 645029401 /nfs/dbraw/zinc/02/94/01/645029401.db2.gz UQUFJXFUPUUTOS-PLNGDYQASA-N 0 3 238.291 0.043 20 0 BCADHN C[C@@H](CNC(=O)c1cncc(C=O)c1)N(C)C ZINC000823615572 645047481 /nfs/dbraw/zinc/04/74/81/645047481.db2.gz QKIVPNGIJJTTAL-VIFPVBQESA-N 0 3 235.287 0.574 20 0 BCADHN CCN(OC)C(=O)CNCC1(OC)CCCC1 ZINC000842768484 645065110 /nfs/dbraw/zinc/06/51/10/645065110.db2.gz ABBIRAIXUQCAGX-UHFFFAOYSA-N 0 3 244.335 0.945 20 0 BCADHN C[C@@H]1[C@@H](C)[C@H](C)CN1CN1CC(=O)N(C)C1=O ZINC000841689112 645224153 /nfs/dbraw/zinc/22/41/53/645224153.db2.gz ICGRDGAPXDUWRR-KXUCPTDWSA-N 0 3 239.319 0.814 20 0 BCADHN CC/C=C\CN[C@H]1C(=O)NCC12CCOCC2 ZINC000926517067 645250420 /nfs/dbraw/zinc/25/04/20/645250420.db2.gz ULUUMIBYZAQLOY-BYCRGOAPSA-N 0 3 238.331 0.837 20 0 BCADHN CC[C@H](N[C@H](C)c1cnnn1C)[C@@H](C)O ZINC000926524106 645255215 /nfs/dbraw/zinc/25/52/15/645255215.db2.gz AOPJSRDEUMWFFD-HLTSFMKQSA-N 0 3 212.297 0.625 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H](C)c1cc[nH]c(=O)c1 ZINC000926575557 645294972 /nfs/dbraw/zinc/29/49/72/645294972.db2.gz KAANYTRSRZRLSG-INTQDDNPSA-N 0 3 238.287 0.852 20 0 BCADHN C[C@@H]1[C@@H](NCCS(=O)(=O)C2CC2)CO[C@H]1C ZINC000926587052 645303163 /nfs/dbraw/zinc/30/31/63/645303163.db2.gz HEXGGGWMHFHUAL-QXEWZRGKSA-N 0 3 247.360 0.577 20 0 BCADHN C[C@H](NCC1(CC(N)=O)CC1)c1ncc[nH]1 ZINC000926601174 645309302 /nfs/dbraw/zinc/30/93/02/645309302.db2.gz PIXKPVLNBAFOBN-QMMMGPOBSA-N 0 3 222.292 0.716 20 0 BCADHN Cn1c(CNC(=O)CN)nc2cc(F)ccc21 ZINC000844185212 645317330 /nfs/dbraw/zinc/31/73/30/645317330.db2.gz JPTMBUFETURULA-UHFFFAOYSA-N 0 3 236.250 0.287 20 0 BCADHN COC(=O)CC1(NCC(OC)OC)CC1 ZINC000844384817 645324545 /nfs/dbraw/zinc/32/45/45/645324545.db2.gz FBIVVIFMWXQDSE-UHFFFAOYSA-N 0 3 217.265 0.291 20 0 BCADHN COC/C(C)=C\C(=O)N[C@@H]1CCCN(C)C1 ZINC000845445382 645362603 /nfs/dbraw/zinc/36/26/03/645362603.db2.gz OHHIHTSUWWNAMF-ZJRUKIMVSA-N 0 3 226.320 0.790 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1NCCO[C@@H]1CC1(F)F ZINC000926697919 645365704 /nfs/dbraw/zinc/36/57/04/645365704.db2.gz RMWBADJBXMJYRF-SFYZADRCSA-N 0 3 248.273 0.525 20 0 BCADHN Cc1cncc(CCN[C@H](C)c2cnnn2C)n1 ZINC000926714073 645377547 /nfs/dbraw/zinc/37/75/47/645377547.db2.gz YXPXEZQSSMKXDO-SNVBAGLBSA-N 0 3 246.318 0.807 20 0 BCADHN CCON(C)C(=O)CNC1CC(OC)C1 ZINC000846063815 645394406 /nfs/dbraw/zinc/39/44/06/645394406.db2.gz IUZSRSCQTOUCDG-UHFFFAOYSA-N 0 3 216.281 0.163 20 0 BCADHN CCn1nncc1CN[C@@H]1CO[C@@H](C)[C@@H]1C ZINC000926742339 645398284 /nfs/dbraw/zinc/39/82/84/645398284.db2.gz XEVVGMAGUSGVRR-ATZCPNFKSA-N 0 3 224.308 0.811 20 0 BCADHN CON1CCN(C[C@H]2CCCOC2)CC1 ZINC000846979357 645412301 /nfs/dbraw/zinc/41/23/01/645412301.db2.gz GSLRYGGWZGTZIR-LLVKDONJSA-N 0 3 214.309 0.592 20 0 BCADHN CONC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000847354586 645428729 /nfs/dbraw/zinc/42/87/29/645428729.db2.gz CPXIAENXNAAOGX-ZJUUUORDSA-N 0 3 227.308 0.864 20 0 BCADHN C[C@@H](N[C@H]1COC[C@H]1C)[C@@H](O)C(F)(F)F ZINC000926786935 645433437 /nfs/dbraw/zinc/43/34/37/645433437.db2.gz MCAHRLRQGGLBOD-OOJXKGFFSA-N 0 3 227.226 0.923 20 0 BCADHN C[C@@H]1[C@@H](NC2CN(c3ccncn3)C2)CO[C@H]1C ZINC000926793927 645435063 /nfs/dbraw/zinc/43/50/63/645435063.db2.gz VGAGMAXKXAQCRC-NHCYSSNCSA-N 0 3 248.330 0.678 20 0 BCADHN C[C@H](N[C@@H]1CCN(C)[C@@H]1C)c1cc(CO)on1 ZINC000926887692 645475784 /nfs/dbraw/zinc/47/57/84/645475784.db2.gz ATGQWGJMMWHPAW-IQJOONFLSA-N 0 3 239.319 0.910 20 0 BCADHN C[C@H]1CCOCCN1CCO[C@@H]1CCOC1 ZINC000930236055 645479102 /nfs/dbraw/zinc/47/91/02/645479102.db2.gz SWRCXULXLAHCIG-NWDGAFQWSA-N 0 3 229.320 0.903 20 0 BCADHN CON(C)C(=O)CN1CCC[C@@H](C)[C@@H]1CCO ZINC000852463735 645481786 /nfs/dbraw/zinc/48/17/86/645481786.db2.gz ZHRWGAGJVZCDIH-MNOVXSKESA-N 0 3 244.335 0.489 20 0 BCADHN O=C1C[C@@H](CCN[C@@H]2CCCc3c[nH]nc32)CN1 ZINC000926980165 645505733 /nfs/dbraw/zinc/50/57/33/645505733.db2.gz OOPPSJVFSQDVRU-MWLCHTKSSA-N 0 3 248.330 0.903 20 0 BCADHN C[C@@H](NCCO[C@@H]1CCOC1)c1ccnn1C ZINC000927078760 645540381 /nfs/dbraw/zinc/54/03/81/645540381.db2.gz AGFCXWGZKQFICG-GHMZBOCLSA-N 0 3 239.319 0.876 20 0 BCADHN C[C@H](NCCO[C@H]1CCOC1)c1ccnnc1 ZINC000927077110 645540393 /nfs/dbraw/zinc/54/03/93/645540393.db2.gz HWLXDXQLBJHQBT-JQWIXIFHSA-N 0 3 237.303 0.933 20 0 BCADHN C[C@H](NCCO[C@@H]1CCOC1)c1cn[nH]c1 ZINC000927079792 645540836 /nfs/dbraw/zinc/54/08/36/645540836.db2.gz FZJSWUXRZVUQRZ-GXSJLCMTSA-N 0 3 225.292 0.866 20 0 BCADHN COC1(OC)CC[C@H]1NCCO[C@H]1CCOC1 ZINC000927084839 645542826 /nfs/dbraw/zinc/54/28/26/645542826.db2.gz WFSPGPWKNOKANB-WDEREUQCSA-N 0 3 245.319 0.533 20 0 BCADHN Cc1ccnc(N2C(=O)N[C@@H](CN(C)C)C2=O)c1 ZINC000927215304 645587075 /nfs/dbraw/zinc/58/70/75/645587075.db2.gz CTLCEFKYTJJPBP-VIFPVBQESA-N 0 3 248.286 0.376 20 0 BCADHN Cc1cccnc1N1C(=O)N[C@H](CN(C)C)C1=O ZINC000927215204 645587119 /nfs/dbraw/zinc/58/71/19/645587119.db2.gz BPJYEQOTGXKYSP-SECBINFHSA-N 0 3 248.286 0.376 20 0 BCADHN Cc1cnccc1N1C(=O)N[C@H](CN(C)C)C1=O ZINC000927220116 645589521 /nfs/dbraw/zinc/58/95/21/645589521.db2.gz BKKBEBAELYFLCV-SECBINFHSA-N 0 3 248.286 0.376 20 0 BCADHN CN(C)C(=O)CCNCc1ccnc(F)c1 ZINC000858117387 645670649 /nfs/dbraw/zinc/67/06/49/645670649.db2.gz MGDXZCXWMXTXOK-UHFFFAOYSA-N 0 3 225.267 0.789 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928425477 645741113 /nfs/dbraw/zinc/74/11/13/645741113.db2.gz ACXAIDIIILEMDS-VLEAKVRGSA-N 0 3 228.336 0.602 20 0 BCADHN C[C@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1C ZINC000928428616 645741794 /nfs/dbraw/zinc/74/17/94/645741794.db2.gz NNFLZOFGKBPUCL-FBDQPXRJSA-N 0 3 224.304 0.088 20 0 BCADHN Cc1ccnn1CC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928428543 645741979 /nfs/dbraw/zinc/74/19/79/645741979.db2.gz XUYKCXAAOUATEG-MNOVXSKESA-N 0 3 236.319 0.400 20 0 BCADHN C[C@H]1[C@@H](NC(=O)C2(N(C)C)CC2)CCN1C ZINC000928437544 645743005 /nfs/dbraw/zinc/74/30/05/645743005.db2.gz XERLQUWZSVTOKA-UWVGGRQHSA-N 0 3 225.336 0.289 20 0 BCADHN Cc1ccnn1CC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928428542 645743702 /nfs/dbraw/zinc/74/37/02/645743702.db2.gz XUYKCXAAOUATEG-GHMZBOCLSA-N 0 3 236.319 0.400 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cncn2C)CCN1C ZINC000928438001 645744069 /nfs/dbraw/zinc/74/40/69/645744069.db2.gz FSDYJDXQKGIFDB-RKDXNWHRSA-N 0 3 222.292 0.243 20 0 BCADHN CCn1cnc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c1 ZINC000928430107 645746044 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/nfs/dbraw/zinc/77/23/62/711772362.db2.gz MCRYZCBCBFEXLH-PSASIEDQSA-N 0 3 242.319 0.537 20 0 BCADHN CN1CCC[C@@H](N2C[C@@H](O)CC(C)(C)C2)C1=O ZINC000879622209 711771105 /nfs/dbraw/zinc/77/11/05/711771105.db2.gz JAYSUWWJQFQMJE-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN CN(C(=O)CN1CC[C@@H](C(C)(C)O)C1)C1CC1 ZINC000721835081 711779327 /nfs/dbraw/zinc/77/93/27/711779327.db2.gz UNVJQNVCPJNMSG-SNVBAGLBSA-N 0 3 240.347 0.700 20 0 BCADHN O=c1cc(CN[C@H](CO)C2CC2)occ1O ZINC000393777261 711791251 /nfs/dbraw/zinc/79/12/51/711791251.db2.gz YWLVRTNEHKXFTE-SECBINFHSA-N 0 3 225.244 0.206 20 0 BCADHN CC(C)C[C@H](O)CNC(=O)[C@@H](N)C(C)(C)C ZINC000160404452 711807871 /nfs/dbraw/zinc/80/78/71/711807871.db2.gz OGBQLGIUZSWHJB-VHSXEESVSA-N 0 3 230.352 0.883 20 0 BCADHN CC(C)C[C@@H](O)CNC(=O)[C@@H](N)CC(C)C ZINC000160407565 711808167 /nfs/dbraw/zinc/80/81/67/711808167.db2.gz BCNZGQACBMYTBV-MNOVXSKESA-N 0 3 230.352 0.883 20 0 BCADHN CC[S@](=O)CCNCc1ccn(C)c1 ZINC000160683872 711809526 /nfs/dbraw/zinc/80/95/26/711809526.db2.gz HNNNQHNYGVTXQA-CQSZACIVSA-N 0 3 214.334 0.883 20 0 BCADHN CCCN1C[C@@H](O)[C@H](NC(=O)C2=CCCC2)C1 ZINC001076877626 711809709 /nfs/dbraw/zinc/80/97/09/711809709.db2.gz GKJSUBJSHGMBEX-VXGBXAGGSA-N 0 3 238.331 0.668 20 0 BCADHN CCC(CC)(CNC(=O)CN)SC ZINC000225534326 711829185 /nfs/dbraw/zinc/82/91/85/711829185.db2.gz IEPJXHKOLXRQPT-UHFFFAOYSA-N 0 3 204.339 0.983 20 0 BCADHN C[C@H]1C[C@H](N2C(=O)CNC2=O)CCN1C ZINC000226050407 711829944 /nfs/dbraw/zinc/82/99/44/711829944.db2.gz SFZALKSRGWKWTP-JGVFFNPUSA-N 0 3 211.265 0.021 20 0 BCADHN C[S@](=O)CCN1CCC[C@H](CO)C1 ZINC000388365587 711871110 /nfs/dbraw/zinc/87/11/10/711871110.db2.gz VIJQMPFPDNYCAP-ZANVPECISA-N 0 3 205.323 0.069 20 0 BCADHN CCN1CC(CNC(=O)[C@@H]2CCCO2)C1 ZINC001031536795 711877335 /nfs/dbraw/zinc/87/73/35/711877335.db2.gz IIPVWROKNLMDAF-JTQLQIEISA-N 0 3 212.293 0.233 20 0 BCADHN CCCN(C)CC(=O)NCC[C@H](C)NC(C)=O ZINC001077662027 711913746 /nfs/dbraw/zinc/91/37/46/711913746.db2.gz RTASAPUWWLEHSB-JTQLQIEISA-N 0 3 243.351 0.359 20 0 BCADHN CC(C)C(=O)N(CCO)C1CCN(C)CC1 ZINC000083924927 711921590 /nfs/dbraw/zinc/92/15/90/711921590.db2.gz SFLLAGYANCFAJC-UHFFFAOYSA-N 0 3 228.336 0.558 20 0 BCADHN Cc1cc(NC[C@H]2CCC[C@@H]2O)nc(N)n1 ZINC000085485979 711935316 /nfs/dbraw/zinc/93/53/16/711935316.db2.gz JPRQSBBQNBKDMX-BDAKNGLRSA-N 0 3 222.292 0.940 20 0 BCADHN CC(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001038092211 711961481 /nfs/dbraw/zinc/96/14/81/711961481.db2.gz KOMUJNJJPHHNMW-VXGBXAGGSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H](C(=O)N(C)[C@@H]1CCN(CCO)C1)C1CC1 ZINC001032990335 711970424 /nfs/dbraw/zinc/97/04/24/711970424.db2.gz DDKVNBHEZRTBID-CMPLNLGQSA-N 0 3 240.347 0.558 20 0 BCADHN CN(C(=O)C1(C)CC1)[C@H]1CCN(CCCO)C1 ZINC001033102703 711975675 /nfs/dbraw/zinc/97/56/75/711975675.db2.gz IDCHAOLFKZAAML-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN C[S@](=O)CCN1CC(C)(C)CC[C@H]1CO ZINC000701641754 712025549 /nfs/dbraw/zinc/02/55/49/712025549.db2.gz GDJLFBYATSLGDO-BONVTDFDSA-N 0 3 233.377 0.848 20 0 BCADHN CC(C)C1(CNC(=O)[C@@H](N)CN(C)C)CC1 ZINC000702323713 712046910 /nfs/dbraw/zinc/04/69/10/712046910.db2.gz PFWSAMYLEOZQLI-JTQLQIEISA-N 0 3 227.352 0.428 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@@]1(C)CC1(F)F ZINC000702347929 712045962 /nfs/dbraw/zinc/04/59/62/712045962.db2.gz BGGRMSOYXGOYCG-IONNQARKSA-N 0 3 235.278 0.037 20 0 BCADHN C[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000702387361 712049987 /nfs/dbraw/zinc/04/99/87/712049987.db2.gz RICKCTPVSNQHGY-UTLUCORTSA-N 0 3 213.325 0.180 20 0 BCADHN CCCCN(CC)C(=O)[C@@H](N)CN(C)C ZINC000702392736 712050024 /nfs/dbraw/zinc/05/00/24/712050024.db2.gz ACLFIDBQSSOJJR-JTQLQIEISA-N 0 3 215.341 0.524 20 0 BCADHN CCCN(CC)C(=O)[C@@H](N)CN(C)C ZINC000702367984 712048675 /nfs/dbraw/zinc/04/86/75/712048675.db2.gz FEMSCHRQLAXAMY-VIFPVBQESA-N 0 3 201.314 0.134 20 0 BCADHN C[C@@H](CNC(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000702380957 712049077 /nfs/dbraw/zinc/04/90/77/712049077.db2.gz RZVOSGACQQNIJV-WPRPVWTQSA-N 0 3 213.325 0.038 20 0 BCADHN COC[C@H](C)OC(=O)NC1CCN(C)CC1 ZINC000704417579 712106538 /nfs/dbraw/zinc/10/65/38/712106538.db2.gz JSJPKSDURDZMRS-VIFPVBQESA-N 0 3 230.308 0.842 20 0 BCADHN COC[C@H](C)OC(=O)N[C@@H]1CCN(C)C1 ZINC000704504525 712111410 /nfs/dbraw/zinc/11/14/10/712111410.db2.gz KBHSDFAZHVHOHR-DTWKUNHWSA-N 0 3 216.281 0.452 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1cccc(O)c1 ZINC000705320065 712128273 /nfs/dbraw/zinc/12/82/73/712128273.db2.gz OLNNRCGCKRXGHK-JTQLQIEISA-N 0 3 223.276 0.220 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@@H]1CC12CCCCC2 ZINC000705399742 712131106 /nfs/dbraw/zinc/13/11/06/712131106.db2.gz OTBAHCUYUXWIOM-WDEREUQCSA-N 0 3 239.363 0.714 20 0 BCADHN COCCN1CC2(C1)CCN(C(C)=O)CC2 ZINC001035629083 712138398 /nfs/dbraw/zinc/13/83/98/712138398.db2.gz VMOJLEUFNIHPEP-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@H]1CCCC12CC2 ZINC000706513994 712148166 /nfs/dbraw/zinc/14/81/66/712148166.db2.gz NSSTWGWEELHVMX-UWVGGRQHSA-N 0 3 225.336 0.324 20 0 BCADHN O=S(=O)(NCC[C@@H]1CC=CCC1)C1CNC1 ZINC000706867006 712156933 /nfs/dbraw/zinc/15/69/33/712156933.db2.gz GQQZMVDGGRPPQZ-SNVBAGLBSA-N 0 3 244.360 0.624 20 0 BCADHN CC(=O)C1CCN(C(=O)[C@H]2CCN(C)C2)CC1 ZINC000707728527 712177079 /nfs/dbraw/zinc/17/70/79/712177079.db2.gz JYOHCDOASFJBRG-LBPRGKRZSA-N 0 3 238.331 0.766 20 0 BCADHN COCC(=O)N1CC[C@@H]2[C@@H](CCN2CCF)C1 ZINC001036606194 712199596 /nfs/dbraw/zinc/19/95/96/712199596.db2.gz FIRZEOMCDMECCR-WDEREUQCSA-N 0 3 244.310 0.525 20 0 BCADHN OC[C@H](O)CN1CC[C@@H](c2nccs2)C1 ZINC000710672428 712265242 /nfs/dbraw/zinc/26/52/42/712265242.db2.gz YORSTSMEWUXPPJ-RKDXNWHRSA-N 0 3 228.317 0.286 20 0 BCADHN OCCOCCN1CC[C@@H](c2nccs2)C1 ZINC000710672416 712265707 /nfs/dbraw/zinc/26/57/07/712265707.db2.gz YDAXFCMOHGLQJK-SNVBAGLBSA-N 0 3 242.344 0.941 20 0 BCADHN CO[C@@](C)(CO)CN[C@H]1CCC1(OC)OC ZINC000710987628 712272108 /nfs/dbraw/zinc/27/21/08/712272108.db2.gz IQDNVXPSEZFNOF-VHSXEESVSA-N 0 3 233.308 0.125 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H](CF)C1 ZINC000711399393 712297812 /nfs/dbraw/zinc/29/78/12/712297812.db2.gz LVIKJXZGCKNYDT-RKDXNWHRSA-N 0 3 202.273 0.932 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCC[C@@H](CF)C1 ZINC000711455985 712304962 /nfs/dbraw/zinc/30/49/62/712304962.db2.gz QSKUJWGDWLDECB-QWRGUYRKSA-N 0 3 247.310 0.982 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC001079588195 712349666 /nfs/dbraw/zinc/34/96/66/712349666.db2.gz BVFQEFKYXZPBKX-GMTAPVOTSA-N 0 3 240.347 0.461 20 0 BCADHN Cn1cnc(CN[C@H]2CCCC[C@@H]2O)c1 ZINC000378722755 712358033 /nfs/dbraw/zinc/35/80/33/712358033.db2.gz HDQNOYGFTORBJM-QWRGUYRKSA-N 0 3 209.293 0.813 20 0 BCADHN CC[C@@]1(NCCS(=O)(=O)CC)CCOC1 ZINC000378846663 712365453 /nfs/dbraw/zinc/36/54/53/712365453.db2.gz STPCATYPEQBCBR-SNVBAGLBSA-N 0 3 235.349 0.580 20 0 BCADHN CN(C)CCONC(=O)c1ccc(CO)cc1 ZINC000379042559 712368807 /nfs/dbraw/zinc/36/88/07/712368807.db2.gz DICJDEMWZBRPMD-UHFFFAOYSA-N 0 3 238.287 0.402 20 0 BCADHN Cc1cnccc1C(=O)NOCCN(C)C ZINC000379142759 712370305 /nfs/dbraw/zinc/37/03/05/712370305.db2.gz GFUDRJQFEIESEO-UHFFFAOYSA-N 0 3 223.276 0.613 20 0 BCADHN CN(C)CCONC(=O)C1CCOCC1 ZINC000379180669 712370718 /nfs/dbraw/zinc/37/07/18/712370718.db2.gz RTYSQBHLSAXKES-UHFFFAOYSA-N 0 3 216.281 0.022 20 0 BCADHN CC[C@@H]1CCCN1CCS(N)(=O)=O ZINC000379398729 712382439 /nfs/dbraw/zinc/38/24/39/712382439.db2.gz YSKOZYUKIYIIEG-MRVPVSSYSA-N 0 3 206.311 0.149 20 0 BCADHN CCOCCNC(=O)[C@@H](N)CC1CC1 ZINC000379509853 712386682 /nfs/dbraw/zinc/38/66/82/712386682.db2.gz QEDLEDYRLHFZCU-VIFPVBQESA-N 0 3 200.282 0.267 20 0 BCADHN C[C@H](C[C@@H]1CCOC1)NCc1cnn(C)n1 ZINC000390455462 712417954 /nfs/dbraw/zinc/41/79/54/712417954.db2.gz CODNXQJOZBXYID-ZJUUUORDSA-N 0 3 224.308 0.720 20 0 BCADHN CCN1CC[C@@H]1CNc1cc(=O)[nH]c(C)n1 ZINC000712569910 712447182 /nfs/dbraw/zinc/44/71/82/712447182.db2.gz NWNSVXXOTFMZAP-SECBINFHSA-N 0 3 222.292 0.997 20 0 BCADHN CN1CC[C@@H]1CNCc1cnn(C)c1Cl ZINC000712573113 712447389 /nfs/dbraw/zinc/44/73/89/712447389.db2.gz RBVBCIUZVJTZJP-SECBINFHSA-N 0 3 228.727 0.867 20 0 BCADHN CCS(=O)(=O)N1CCNCCC12CCC2 ZINC000713190987 712454192 /nfs/dbraw/zinc/45/41/92/712454192.db2.gz UCANXMGMVCSBRV-UHFFFAOYSA-N 0 3 232.349 0.554 20 0 BCADHN Cn1ccc(CN[C@H]2C[C@H](S(C)(=O)=O)C2)c1 ZINC000714252509 712480538 /nfs/dbraw/zinc/48/05/38/712480538.db2.gz WDQGMHBABOMNQN-XYPYZODXSA-N 0 3 242.344 0.690 20 0 BCADHN CCCn1cc(CN[C@H]2CCCN(C)C2)nn1 ZINC000714403349 712485014 /nfs/dbraw/zinc/48/50/14/712485014.db2.gz ITOBCVYCECILLJ-NSHDSACASA-N 0 3 237.351 0.872 20 0 BCADHN CC1(C)OC[C@H](CNCC(=O)NC2CC2)O1 ZINC000715080128 712506413 /nfs/dbraw/zinc/50/64/13/712506413.db2.gz COHONZOSNAIATK-VIFPVBQESA-N 0 3 228.292 0.006 20 0 BCADHN C[C@H](N[C@@H]1CCN(C)C1)c1cn(C)nn1 ZINC000715836625 712534870 /nfs/dbraw/zinc/53/48/70/712534870.db2.gz KPMWABDANQEYOU-DTWKUNHWSA-N 0 3 209.297 0.170 20 0 BCADHN CCCN(C1CC1)S(=O)(=O)N1CCNCC1 ZINC000037097517 712539421 /nfs/dbraw/zinc/53/94/21/712539421.db2.gz FHOURYQDVRFDNX-UHFFFAOYSA-N 0 3 247.364 0.011 20 0 BCADHN C[C@@H](N[C@H]1CC[C@H](O)CC1)c1cn(C)nn1 ZINC000715924816 712542577 /nfs/dbraw/zinc/54/25/77/712542577.db2.gz WYLJCFGRYSJBHP-OPRDCNLKSA-N 0 3 224.308 0.769 20 0 BCADHN C[C@@H](NC[C@@H](C)CCCO)c1cn(C)nn1 ZINC000715932064 712543651 /nfs/dbraw/zinc/54/36/51/712543651.db2.gz BXARUHRODQJJPG-VHSXEESVSA-N 0 3 226.324 0.874 20 0 BCADHN CO[C@@H](CN)C(=O)NCC[C@@H]1CCCS1 ZINC000716053864 712548934 /nfs/dbraw/zinc/54/89/34/712548934.db2.gz MDYRNSVQVBWMQY-IUCAKERBSA-N 0 3 232.349 0.362 20 0 BCADHN CCCCCCC(=O)N[C@@H](CO)CN(C)C ZINC000716671019 712568846 /nfs/dbraw/zinc/56/88/46/712568846.db2.gz NDMZMUCSNAOGAB-LLVKDONJSA-N 0 3 230.352 0.996 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(CC)CC(=O)NC ZINC000037481486 712648376 /nfs/dbraw/zinc/64/83/76/712648376.db2.gz UKKXXGXWRFCNNV-LLVKDONJSA-N 0 3 229.324 0.098 20 0 BCADHN O[C@@H](CCNCc1cncnc1)C(F)F ZINC000717349795 712649947 /nfs/dbraw/zinc/64/99/47/712649947.db2.gz HAIXYWHZFWVZOG-QMMMGPOBSA-N 0 3 217.219 0.582 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1cnn(C(C)(C)C)c1 ZINC000717403155 712655645 /nfs/dbraw/zinc/65/56/45/712655645.db2.gz GZCLHVYMWIGKRG-MWLCHTKSSA-N 0 3 241.335 0.469 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1ccsc1 ZINC000717393090 712653423 /nfs/dbraw/zinc/65/34/23/712653423.db2.gz HBFNOPMQIVAKJJ-IONNQARKSA-N 0 3 201.291 0.579 20 0 BCADHN OC/C=C/CN[C@H]1CCCc2n[nH]cc21 ZINC000717439200 712657972 /nfs/dbraw/zinc/65/79/72/712657972.db2.gz ZRTFNBJDJAXHKO-YOLVWIGZSA-N 0 3 207.277 0.925 20 0 BCADHN CC[C@H](CO)NCC(=O)Nc1nccs1 ZINC000389880407 712690868 /nfs/dbraw/zinc/69/08/68/712690868.db2.gz NZYFZUMHBLUQQP-SSDOTTSWSA-N 0 3 229.305 0.442 20 0 BCADHN COCC[C@H](N)C(=O)NC1CC(C)C1 ZINC000123447411 712693710 /nfs/dbraw/zinc/69/37/10/712693710.db2.gz DAZUPFOMRMYUSQ-HACHORDNSA-N 0 3 200.282 0.265 20 0 BCADHN COC[C@H](NCC(=O)N(C)OC)C1CC1 ZINC000380179087 712706070 /nfs/dbraw/zinc/70/60/70/712706070.db2.gz LALWGDVWMVRXLS-VIFPVBQESA-N 0 3 216.281 0.021 20 0 BCADHN C[C@H]1CO[C@@H](C(=O)N2CCNCC2(C)C)C1 ZINC000718509765 712768173 /nfs/dbraw/zinc/76/81/73/712768173.db2.gz QOPMHFFPTRPKDN-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN CCOC(=O)/C=C\CN1C[C@@H]2COC[C@@H]2C1 ZINC000718648008 712776755 /nfs/dbraw/zinc/77/67/55/712776755.db2.gz RWZYSOIGYCTRLH-XCPMARJRSA-N 0 3 225.288 0.684 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccnc(C)n1 ZINC000038038173 712801248 /nfs/dbraw/zinc/80/12/48/712801248.db2.gz PIHQVEKCCZOGFO-VIFPVBQESA-N 0 3 208.265 0.139 20 0 BCADHN Cn1ncc(CN)c1C(=O)NCCC1CCC1 ZINC000719245120 712801251 /nfs/dbraw/zinc/80/12/51/712801251.db2.gz QCNQKHJGYAKGPL-UHFFFAOYSA-N 0 3 236.319 0.799 20 0 BCADHN CN(C(=O)c1c(CN)cnn1C)C1CCCC1 ZINC000719245684 712801290 /nfs/dbraw/zinc/80/12/90/712801290.db2.gz RLJRKCLNIHBCCH-UHFFFAOYSA-N 0 3 236.319 0.893 20 0 BCADHN CSCCCNC(=O)c1c(CN)cnn1C ZINC000719281619 712803666 /nfs/dbraw/zinc/80/36/66/712803666.db2.gz QYJMVUVHYLWNLB-UHFFFAOYSA-N 0 3 242.348 0.362 20 0 BCADHN CC(C)CCN(C)C(=O)c1c(CN)cnn1C ZINC000719283876 712803790 /nfs/dbraw/zinc/80/37/90/712803790.db2.gz GUZJXFQSJAMMKG-UHFFFAOYSA-N 0 3 238.335 0.997 20 0 BCADHN CCCNC(=S)N[C@@H]1CCN(C)[C@H]1C ZINC000719368227 712806154 /nfs/dbraw/zinc/80/61/54/712806154.db2.gz VFXLPRCTFABKFC-DTWKUNHWSA-N 0 3 215.366 0.953 20 0 BCADHN CCn1ncnc1CN[C@H]1CCN(C)[C@H]1C ZINC000719637447 712815054 /nfs/dbraw/zinc/81/50/54/712815054.db2.gz SIARHZBKWTUAKJ-UWVGGRQHSA-N 0 3 223.324 0.480 20 0 BCADHN CO[C@@H](CNC(=O)[C@@H](N)CC1CC1)C(C)C ZINC000381131477 710603934 /nfs/dbraw/zinc/60/39/34/710603934.db2.gz HHVWCEDMISJUJI-QWRGUYRKSA-N 0 3 228.336 0.901 20 0 BCADHN Cc1cc(NCCC2(O)CCC2)nc(N)n1 ZINC000381566979 710657439 /nfs/dbraw/zinc/65/74/39/710657439.db2.gz TYEFJUJYOLIQFK-UHFFFAOYSA-N 0 3 222.292 0.336 20 0 BCADHN Cc1cc(N[C@H](CCO)C2CC2)nc(N)n1 ZINC000381588057 710657952 /nfs/dbraw/zinc/65/79/52/710657952.db2.gz CHQFXKADJRHPME-SECBINFHSA-N 0 3 222.292 0.192 20 0 BCADHN CCc1nc([C@H](C)NCc2c[nH]cn2)n[nH]1 ZINC000381693753 710670614 /nfs/dbraw/zinc/67/06/14/710670614.db2.gz GZNIZUDFGZLYHG-ZETCQYMHSA-N 0 3 220.280 0.941 20 0 BCADHN CCc1nnc([C@H](C)NCc2cnc[nH]2)[nH]1 ZINC000381693753 710670616 /nfs/dbraw/zinc/67/06/16/710670616.db2.gz GZNIZUDFGZLYHG-ZETCQYMHSA-N 0 3 220.280 0.941 20 0 BCADHN C[C@@H](NCCN1CCCC1)c1ncn(C)n1 ZINC000381701091 710676163 /nfs/dbraw/zinc/67/61/63/710676163.db2.gz IKJRCNSOPJAETC-SNVBAGLBSA-N 0 3 223.324 0.562 20 0 BCADHN CC(C)CN1CC[C@H]1CNC(=O)c1ccnnc1 ZINC001038732632 710703908 /nfs/dbraw/zinc/70/39/08/710703908.db2.gz MCRRYFAUTPIDJQ-LBPRGKRZSA-N 0 3 248.330 0.937 20 0 BCADHN CCN1CCC[C@@H](N[C@H]2CCOC2)C1=O ZINC000722355101 710707277 /nfs/dbraw/zinc/70/72/77/710707277.db2.gz HMQYGCCNWKLKQS-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CCC[C@@H](O)CNCc1cnc2n1CCOC2 ZINC000722851848 710722470 /nfs/dbraw/zinc/72/24/70/710722470.db2.gz VBOZQLGIDVJGMN-LLVKDONJSA-N 0 3 239.319 0.664 20 0 BCADHN COCCN1CC[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001039314998 710724627 /nfs/dbraw/zinc/72/46/27/710724627.db2.gz WKWZIOMQPBBIPL-NEPJUHHUSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C(=O)[C@H](N)CC1CC1 ZINC000380508126 712901233 /nfs/dbraw/zinc/90/12/33/712901233.db2.gz KDYRFUGAGCBJKD-WCABBAIRSA-N 0 3 226.320 0.750 20 0 BCADHN Cc1c[nH]c(CNCC[C@@H]2CC(=O)N(C)C2)n1 ZINC000723544872 710727406 /nfs/dbraw/zinc/72/74/06/710727406.db2.gz GPODYKVRTIGRFF-SNVBAGLBSA-N 0 3 236.319 0.676 20 0 BCADHN CC[C@H](N)c1cn(Cc2nn(C)cc2C)nn1 ZINC000724002274 710735031 /nfs/dbraw/zinc/73/50/31/710735031.db2.gz HNKDDKOGSRDPRP-VIFPVBQESA-N 0 3 234.307 0.778 20 0 BCADHN COC[C@H](O)CNCc1ncc(C)cc1C ZINC000724087975 710736273 /nfs/dbraw/zinc/73/62/73/710736273.db2.gz ZHASVJWBBZGUOP-LLVKDONJSA-N 0 3 224.304 0.795 20 0 BCADHN CN1CCNC[C@@H]1C(=O)Nc1ccccc1 ZINC000145932305 710768624 /nfs/dbraw/zinc/76/86/24/710768624.db2.gz LBJIXWPUUUTSRM-LLVKDONJSA-N 0 3 219.288 0.529 20 0 BCADHN CC(=O)N1CCC[C@H]1CNCc1cncn1C ZINC001044890718 710830799 /nfs/dbraw/zinc/83/07/99/710830799.db2.gz RXKUOFAOOMEGAA-NSHDSACASA-N 0 3 236.319 0.521 20 0 BCADHN C[C@]1(NC(=O)[C@@H]2CC2(F)F)CCN(CCO)C1 ZINC001046301596 710859042 /nfs/dbraw/zinc/85/90/42/710859042.db2.gz DTPICGBLEHFEOH-WPRPVWTQSA-N 0 3 248.273 0.215 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2c[nH]nc2C)C1 ZINC001046532807 710860805 /nfs/dbraw/zinc/86/08/05/710860805.db2.gz WDILVKHFHLDAJO-LBPRGKRZSA-N 0 3 236.319 0.932 20 0 BCADHN CCCCN1C[C@H](O)[C@@H](N(C)C(=O)C(C)C)C1 ZINC001047308893 710869722 /nfs/dbraw/zinc/86/97/22/710869722.db2.gz UPCSQMHQLYOPHB-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047281107 710870610 /nfs/dbraw/zinc/87/06/10/710870610.db2.gz RBVWGNUJGIAWIY-QWRGUYRKSA-N 0 3 226.320 0.308 20 0 BCADHN Cc1cc(NCC2=CCOCC2)nc(N)n1 ZINC000397657563 710909240 /nfs/dbraw/zinc/90/92/40/710909240.db2.gz YWVZUBLMNNXWGP-UHFFFAOYSA-N 0 3 220.276 0.378 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@H](N)CC1CC1 ZINC000398579675 710910447 /nfs/dbraw/zinc/91/04/47/710910447.db2.gz SPAORTNYZUIBRL-GHMZBOCLSA-N 0 3 228.336 0.781 20 0 BCADHN COCC(=O)N1C[C@H](NCCF)[C@@H](C)C1 ZINC001054302106 710925022 /nfs/dbraw/zinc/92/50/22/710925022.db2.gz SVWZXJYJZDRSCG-IUCAKERBSA-N 0 3 218.272 0.039 20 0 BCADHN CC(=O)N1CCO[C@@H](CNCc2cccnc2)C1 ZINC001051384130 710955640 /nfs/dbraw/zinc/95/56/40/710955640.db2.gz QNFMGOSJUAWANI-ZDUSSCGKSA-N 0 3 249.314 0.419 20 0 BCADHN CC(=O)N1CCO[C@H](CNCc2cccnc2)C1 ZINC001051384129 710955783 /nfs/dbraw/zinc/95/57/83/710955783.db2.gz QNFMGOSJUAWANI-CYBMUJFWSA-N 0 3 249.314 0.419 20 0 BCADHN COCC[C@H](N)C(=O)N1C[C@@H](C)CC1(C)C ZINC000380596181 712901899 /nfs/dbraw/zinc/90/18/99/712901899.db2.gz XPHNEOLKMSMILI-UWVGGRQHSA-N 0 3 228.336 0.997 20 0 BCADHN COCC[C@@H](N)C(=O)N1C[C@H](C)CC1(C)C ZINC000380596180 712901905 /nfs/dbraw/zinc/90/19/05/712901905.db2.gz XPHNEOLKMSMILI-NXEZZACHSA-N 0 3 228.336 0.997 20 0 BCADHN CCOC(=O)CCN1CC[C@@H](C(=O)OCC)C1 ZINC000147150090 710996097 /nfs/dbraw/zinc/99/60/97/710996097.db2.gz FDYNLVCTZGKUDK-SNVBAGLBSA-N 0 3 243.303 0.825 20 0 BCADHN Cc1cc(N[C@H](C)CC(C)(C)O)nc(N)n1 ZINC000384836849 710997829 /nfs/dbraw/zinc/99/78/29/710997829.db2.gz HZBRJGFUXATOOM-MRVPVSSYSA-N 0 3 224.308 0.581 20 0 BCADHN C[C@H]1C[C@H](O)CN1c1ccnc(CO)c1 ZINC000385089828 711005560 /nfs/dbraw/zinc/00/55/60/711005560.db2.gz KPTKEMGXIHQGPU-KWQFWETISA-N 0 3 208.261 0.533 20 0 BCADHN Cc1nccc(C(=O)N[C@H]2CCN(C(C)C)C2)n1 ZINC000070855435 711064301 /nfs/dbraw/zinc/06/43/01/711064301.db2.gz FRKYOKQVCXSJFE-NSHDSACASA-N 0 3 248.330 0.998 20 0 BCADHN OC[C@H](O)CN1CCC(C(F)F)CC1 ZINC000388976222 711071925 /nfs/dbraw/zinc/07/19/25/711071925.db2.gz IBDWDIHEUHEXLB-MRVPVSSYSA-N 0 3 209.236 0.317 20 0 BCADHN Cn1cc([C@@H](O)CNC2CSC2)cn1 ZINC000389223660 711073597 /nfs/dbraw/zinc/07/35/97/711073597.db2.gz OPJSQBBYVFNNRK-VIFPVBQESA-N 0 3 213.306 0.159 20 0 BCADHN CCS(=O)(=O)N1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000389732638 711088154 /nfs/dbraw/zinc/08/81/54/711088154.db2.gz SUWCUEJYBVBXBZ-VHSXEESVSA-N 0 3 232.349 0.220 20 0 BCADHN C[C@@H](NCCN1CCOC1=O)c1cn[nH]c1 ZINC000390489699 711120488 /nfs/dbraw/zinc/12/04/88/711120488.db2.gz PWKHJOXQZYVEFH-MRVPVSSYSA-N 0 3 224.264 0.513 20 0 BCADHN OCC[C@@H](NC[C@H](O)CO)c1ccccc1 ZINC000390747677 711132173 /nfs/dbraw/zinc/13/21/73/711132173.db2.gz BCDNGSPVMOZNFM-NWDGAFQWSA-N 0 3 225.288 0.053 20 0 BCADHN Cn1nccc1CNCc1cc[nH]c(=O)c1 ZINC000392793370 711151994 /nfs/dbraw/zinc/15/19/94/711151994.db2.gz MJAOTHRSPPNDPB-UHFFFAOYSA-N 0 3 218.260 0.811 20 0 BCADHN CN(C)CCONC(=O)c1cccnc1F ZINC000393457199 711160011 /nfs/dbraw/zinc/16/00/11/711160011.db2.gz VQIPTEFIJMFDQG-UHFFFAOYSA-N 0 3 227.239 0.444 20 0 BCADHN C[C@H]([NH3+])CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000393729567 711171577 /nfs/dbraw/zinc/17/15/77/711171577.db2.gz FSSTYTKVCPRHCJ-IONNQARKSA-N 0 3 202.254 0.298 20 0 BCADHN CCC(=O)N[C@H]1CC[C@H](C)N(CCO)C1 ZINC001071282215 711184824 /nfs/dbraw/zinc/18/48/24/711184824.db2.gz GRZZJXGJPNDXEY-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000394962771 711199935 /nfs/dbraw/zinc/19/99/35/711199935.db2.gz FQUKDFJMOHEAQX-GMTAPVOTSA-N 0 3 249.376 0.965 20 0 BCADHN CCN1C[C@H](NC(=O)c2cnon2)CC[C@H]1C ZINC001071916758 711210323 /nfs/dbraw/zinc/21/03/23/711210323.db2.gz QOOCTFQIOSIIAT-RKDXNWHRSA-N 0 3 238.291 0.672 20 0 BCADHN C[C@H]1CC[C@H](NC(=O)C(C)(C)C)CN1CCO ZINC001072015529 711214807 /nfs/dbraw/zinc/21/48/07/711214807.db2.gz DYLVJVSUGWIHOJ-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1cc(N[C@@H]2CS[C@@H](C)C2)nc(N)n1 ZINC000398013145 711399515 /nfs/dbraw/zinc/39/95/15/711399515.db2.gz ZOWKTGDMDOVCBP-YUMQZZPRSA-N 0 3 224.333 0.925 20 0 BCADHN Cc1ocnc1CNC(=O)[C@@H](N)CC1CC1 ZINC000398092415 711400416 /nfs/dbraw/zinc/40/04/16/711400416.db2.gz YLHBGZABTUQOSX-VIFPVBQESA-N 0 3 223.276 0.727 20 0 BCADHN CN(C[C@@H]1CCOC1)C(=O)[C@@H](N)CC1CC1 ZINC000398868937 711415342 /nfs/dbraw/zinc/41/53/42/711415342.db2.gz OOFMIGWFBPHELU-QWRGUYRKSA-N 0 3 226.320 0.609 20 0 BCADHN CCOC(=O)[C@@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000399019539 711418556 /nfs/dbraw/zinc/41/85/56/711418556.db2.gz GWDJHKBPXUDFGI-VXNVDRBHSA-N 0 3 228.292 0.182 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)c1ccnc(CO)c1 ZINC000399090697 711420108 /nfs/dbraw/zinc/42/01/08/711420108.db2.gz OROSHBLTHQKINO-JDNHERCYSA-N 0 3 242.344 0.777 20 0 BCADHN CCOC[C@@H](O)CNC/C=C(\C)C(=O)OC ZINC000381207300 710608897 /nfs/dbraw/zinc/60/88/97/710608897.db2.gz DAFYKTKXNAWVCO-CYNRKNSPSA-N 0 3 231.292 0.093 20 0 BCADHN CCN1CC[C@@H](NC(=O)Cc2cncs2)C1 ZINC001014822886 710613791 /nfs/dbraw/zinc/61/37/91/710613791.db2.gz VPHWIOKNFMSFGP-SECBINFHSA-N 0 3 239.344 0.896 20 0 BCADHN CC[C@H](C)[C@H](CNCCS(C)(=O)=O)OC ZINC000381270657 710614226 /nfs/dbraw/zinc/61/42/26/710614226.db2.gz HRRFHYJFYAACLQ-UWVGGRQHSA-N 0 3 237.365 0.682 20 0 BCADHN CC[C@H](C)[C@@H](CNCCS(C)(=O)=O)OC ZINC000381270658 710614500 /nfs/dbraw/zinc/61/45/00/710614500.db2.gz HRRFHYJFYAACLQ-VHSXEESVSA-N 0 3 237.365 0.682 20 0 BCADHN COC(=O)C[C@H](NCc1c[nH]cn1)C1CC1 ZINC000381443402 710637324 /nfs/dbraw/zinc/63/73/24/710637324.db2.gz FEFLXKFVABYFFO-JTQLQIEISA-N 0 3 223.276 0.841 20 0 BCADHN COC(=O)C[C@@H](NCc1c[nH]cn1)C1CC1 ZINC000381443407 710637741 /nfs/dbraw/zinc/63/77/41/710637741.db2.gz FEFLXKFVABYFFO-SNVBAGLBSA-N 0 3 223.276 0.841 20 0 BCADHN C[C@@H](Cc1cnccn1)NCc1c[nH]cn1 ZINC000381481348 710643601 /nfs/dbraw/zinc/64/36/01/710643601.db2.gz SSXLZKGYTZKJBT-VIFPVBQESA-N 0 3 217.276 0.921 20 0 BCADHN C[C@@H](N)C(=O)NCCNc1ccccc1 ZINC000381493987 710646822 /nfs/dbraw/zinc/64/68/22/710646822.db2.gz ZMNSSNKDOCKFED-SECBINFHSA-N 0 3 207.277 0.562 20 0 BCADHN Cc1n[nH]cc1C(=O)NC[C@H]1CCN1CC1CC1 ZINC001038574325 710695599 /nfs/dbraw/zinc/69/55/99/710695599.db2.gz DALNAUVTZGQISI-LLVKDONJSA-N 0 3 248.330 0.932 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000384595646 710922057 /nfs/dbraw/zinc/92/20/57/710922057.db2.gz NAKGFCGRHCCKEK-KXUCPTDWSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1NCCF ZINC001054428051 710933605 /nfs/dbraw/zinc/93/36/05/710933605.db2.gz FPFRYFIXKCSFDS-SCZZXKLOSA-N 0 3 240.282 0.429 20 0 BCADHN Cc1cc(N[C@@H]2C[C@H](C)O[C@@H]2C)nc(N)n1 ZINC000384609448 710934646 /nfs/dbraw/zinc/93/46/46/710934646.db2.gz OUKWNHYXQRFUHA-DJLDLDEBSA-N 0 3 222.292 0.597 20 0 BCADHN COc1ccc(C(=O)NOCCN(C)C)cc1 ZINC000383088449 710965896 /nfs/dbraw/zinc/96/58/96/710965896.db2.gz KUFQOCIBMAPGDJ-UHFFFAOYSA-N 0 3 238.287 0.918 20 0 BCADHN COC(=O)/C(C)=C\CN(C)CCCCO ZINC000384995886 711003041 /nfs/dbraw/zinc/00/30/41/711003041.db2.gz GOKZAIWLIMKUTP-POHAHGRESA-N 0 3 215.293 0.810 20 0 BCADHN COCC[C@@H](N)C(=O)N(CC(F)F)C1CC1 ZINC000386504676 711030785 /nfs/dbraw/zinc/03/07/85/711030785.db2.gz BKXHLTRBXVXYDQ-MRVPVSSYSA-N 0 3 236.262 0.606 20 0 BCADHN Cc1cc(CN[C@@H](CO)C2CC2)ncn1 ZINC000389974494 711102108 /nfs/dbraw/zinc/10/21/08/711102108.db2.gz DRSGLHGDDVCUJA-NSHDSACASA-N 0 3 207.277 0.646 20 0 BCADHN CCC[C@@H](CNCC(=O)N(C)OC)OC ZINC000397526754 711384958 /nfs/dbraw/zinc/38/49/58/711384958.db2.gz IZQSNJNSFIVSNK-VIFPVBQESA-N 0 3 218.297 0.411 20 0 BCADHN C[C@@H](CCO)CCNCc1cnccn1 ZINC000397716827 711390729 /nfs/dbraw/zinc/39/07/29/711390729.db2.gz HHORQBIMTKRXGV-SNVBAGLBSA-N 0 3 209.293 0.975 20 0 BCADHN Cc1cc(N[C@@H]2C[C@H]3C[C@H]3C2)nc(N)n1 ZINC000397826755 711393240 /nfs/dbraw/zinc/39/32/40/711393240.db2.gz QCKGNMNQNPDWAV-AYMMMOKOSA-N 0 3 204.277 0.830 20 0 BCADHN CC[C@H](OC)C(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC001074559727 711443753 /nfs/dbraw/zinc/44/37/53/711443753.db2.gz VWMYDQGLCPSTFB-DCAQKATOSA-N 0 3 246.326 0.960 20 0 BCADHN CN(C[C@@H]1CCCO1)C(=O)[C@H](N)CC1CC1 ZINC000304396419 711452617 /nfs/dbraw/zinc/45/26/17/711452617.db2.gz UZPICGOMCCAFGS-WDEREUQCSA-N 0 3 226.320 0.751 20 0 BCADHN O=C(C1CC1)N1CC[C@@H](NCCF)C1 ZINC000965992037 711471267 /nfs/dbraw/zinc/47/12/67/711471267.db2.gz SVPQWEAOCGSCGQ-SECBINFHSA-N 0 3 200.257 0.556 20 0 BCADHN COCC[C@H](COC)Nc1cc(C)nc(N)n1 ZINC000382450253 711510085 /nfs/dbraw/zinc/51/00/85/711510085.db2.gz KHKJLSGMYSECGV-SECBINFHSA-N 0 3 240.307 0.083 20 0 BCADHN CCC(=O)N[C@@H]1CCCN(C(=O)[C@H](N)CC)C1 ZINC000129615297 711520625 /nfs/dbraw/zinc/52/06/25/711520625.db2.gz MJYIMGHNFQSGIX-NXEZZACHSA-N 0 3 241.335 0.241 20 0 BCADHN CNC(=O)CNC1([C@H]2CCCCO2)CC1 ZINC000933376622 711528211 /nfs/dbraw/zinc/52/82/11/711528211.db2.gz TVLHUOZPNUSJJP-SECBINFHSA-N 0 3 212.293 0.424 20 0 BCADHN CCCNC(=O)CCNc1ccncc1CO ZINC000891949802 711559666 /nfs/dbraw/zinc/55/96/66/711559666.db2.gz YGFMXTKSAGCECL-UHFFFAOYSA-N 0 3 237.303 0.324 20 0 BCADHN C[C@@H]1C[C@H](N2CC[C@H](O)[C@@H](F)C2)CCO1 ZINC000934565259 711593791 /nfs/dbraw/zinc/59/37/91/711593791.db2.gz KYRJVWUOYTZMGF-ZNSHCXBVSA-N 0 3 217.284 0.959 20 0 BCADHN c1nc(CNC[C@H]2C[C@@H]3COC[C@@H]3O2)c[nH]1 ZINC000724615902 711598813 /nfs/dbraw/zinc/59/88/13/711598813.db2.gz IRECEQLKAJIDGE-IEBDPFPHSA-N 0 3 223.276 0.303 20 0 BCADHN CCCN1CCN(Cc2c[nH]cn2)CC1 ZINC000724773668 711611569 /nfs/dbraw/zinc/61/15/69/711611569.db2.gz SCFAVOVYMRQCMT-UHFFFAOYSA-N 0 3 208.309 0.937 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2[nH]c(C)nc2C)C1 ZINC000724792320 711614870 /nfs/dbraw/zinc/61/48/70/711614870.db2.gz UMJBUTICDOOKOT-SNVBAGLBSA-N 0 3 236.319 0.594 20 0 BCADHN O[C@@H](CNCCO[C@@H]1CCOC1)C(F)(F)F ZINC000724915269 711627361 /nfs/dbraw/zinc/62/73/61/711627361.db2.gz PHFPXNASTRUYHF-SFYZADRCSA-N 0 3 243.225 0.305 20 0 BCADHN NC(=O)c1cccc(CN[C@@H]2CC23CC(O)C3)c1 ZINC000724931768 711630412 /nfs/dbraw/zinc/63/04/12/711630412.db2.gz QSOFAZJHQMNNPN-MBHSVXNSSA-N 0 3 246.310 0.789 20 0 BCADHN Cc1cc(CN[C@H]2CC23CC(O)C3)n(C)n1 ZINC000724932669 711630584 /nfs/dbraw/zinc/63/05/84/711630584.db2.gz AZYLMNSIXCQMLE-CXQJBGSLSA-N 0 3 221.304 0.732 20 0 BCADHN CC[C@@H](N)c1cn(CCO[C@@H]2CCOC2)nn1 ZINC000724948675 711633200 /nfs/dbraw/zinc/63/32/00/711633200.db2.gz FELSNYNIBXVWKF-NXEZZACHSA-N 0 3 240.307 0.493 20 0 BCADHN Cc1nn(C)cc1CN[C@H]1CC12CC(O)C2 ZINC000724950773 711633318 /nfs/dbraw/zinc/63/33/18/711633318.db2.gz CSHQOMZTXXDEJX-CXQJBGSLSA-N 0 3 221.304 0.732 20 0 BCADHN Cc1ncc(CNCCO[C@H]2CCOC2)n1C ZINC000724965289 711638371 /nfs/dbraw/zinc/63/83/71/711638371.db2.gz DUTQKOAYEMMDRU-LBPRGKRZSA-N 0 3 239.319 0.624 20 0 BCADHN Cc1cc(CNCCO[C@H]2CCOC2)n(C)n1 ZINC000724975330 711639406 /nfs/dbraw/zinc/63/94/06/711639406.db2.gz FQFYKZKCDLAKTR-LBPRGKRZSA-N 0 3 239.319 0.624 20 0 BCADHN C[C@H](O)CN1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001075473436 711645925 /nfs/dbraw/zinc/64/59/25/711645925.db2.gz YVZHKKKTRMEYRI-XHNCKOQMSA-N 0 3 248.273 0.165 20 0 BCADHN CCn1ncnc1CN[C@@H]1CCN(C)[C@H]1C ZINC000719637448 711672887 /nfs/dbraw/zinc/67/28/87/711672887.db2.gz SIARHZBKWTUAKJ-VHSXEESVSA-N 0 3 223.324 0.480 20 0 BCADHN CCC1(C(=O)[N-]OCC[NH+](C)C)CC1 ZINC000393282841 711675731 /nfs/dbraw/zinc/67/57/31/711675731.db2.gz HPIBOAPSHLXYOT-UHFFFAOYSA-N 0 3 200.282 0.786 20 0 BCADHN C[C@H](Cc1cnn(C)c1)Nc1ccncc1CO ZINC000894099480 711763273 /nfs/dbraw/zinc/76/32/73/711763273.db2.gz SAMPQFNYKXFCEO-SNVBAGLBSA-N 0 3 246.314 0.772 20 0 BCADHN C[C@H](F)CCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924898065 711765356 /nfs/dbraw/zinc/76/53/56/711765356.db2.gz SVOVXDJWSZHXKV-YUMQZZPRSA-N 0 3 231.271 0.217 20 0 BCADHN CCc1ncncc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928450895 711773020 /nfs/dbraw/zinc/77/30/20/711773020.db2.gz FEUXFNYEAVQGCE-CABZTGNLSA-N 0 3 248.330 0.861 20 0 BCADHN C[C@H]1C[C@@H](NCCF)CN1C(=O)c1cc[nH]n1 ZINC000988174706 711793048 /nfs/dbraw/zinc/79/30/48/711793048.db2.gz BJBLOMFVQVADRG-DTWKUNHWSA-N 0 3 240.282 0.572 20 0 BCADHN CCCN(CCO)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925313075 711797971 /nfs/dbraw/zinc/79/79/71/711797971.db2.gz LIAACDUZWQGSOF-MNOVXSKESA-N 0 3 243.351 0.493 20 0 BCADHN Cn1cncc1CC(=O)N1CC(N2CCCC2)C1 ZINC000898604310 711802065 /nfs/dbraw/zinc/80/20/65/711802065.db2.gz WTLRQLPESXISGH-UHFFFAOYSA-N 0 3 248.330 0.269 20 0 BCADHN CC(C)C(=O)N[C@@H]1CN(CCC2CC2)C[C@H]1O ZINC001076753529 711808428 /nfs/dbraw/zinc/80/84/28/711808428.db2.gz NBHDSKWXFZHDOD-VXGBXAGGSA-N 0 3 240.347 0.604 20 0 BCADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001076852880 711809362 /nfs/dbraw/zinc/80/93/62/711809362.db2.gz JLIKKEJZJAPIRD-YUSALJHKSA-N 0 3 240.347 0.604 20 0 BCADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001076852879 711809540 /nfs/dbraw/zinc/80/95/40/711809540.db2.gz JLIKKEJZJAPIRD-MVWJERBFSA-N 0 3 240.347 0.604 20 0 BCADHN CCCN1C[C@@H](O)[C@H](NC(=O)C2CC(C)C2)C1 ZINC001076863685 711809626 /nfs/dbraw/zinc/80/96/26/711809626.db2.gz VZYRUABMJARSRA-KIDURHIOSA-N 0 3 240.347 0.604 20 0 BCADHN CCC[N@@H+]1CCC[C@H](C(=O)[N-]OCCO)C1 ZINC000907483745 711815872 /nfs/dbraw/zinc/81/58/72/711815872.db2.gz BNQVICPAECAYFB-JTQLQIEISA-N 0 3 230.308 0.149 20 0 BCADHN CCC[N@H+]1CCC[C@H](C(=O)[N-]OCCO)C1 ZINC000907483745 711815873 /nfs/dbraw/zinc/81/58/73/711815873.db2.gz BNQVICPAECAYFB-JTQLQIEISA-N 0 3 230.308 0.149 20 0 BCADHN Nc1ccc(C(=O)NCCN2CCCC2)nc1 ZINC000156861542 711825629 /nfs/dbraw/zinc/82/56/29/711825629.db2.gz XIRQVSJLPIRCNG-UHFFFAOYSA-N 0 3 234.303 0.489 20 0 BCADHN C[C@]1(O)CCCN(c2ccncc2CO)C1 ZINC000157492033 711828235 /nfs/dbraw/zinc/82/82/35/711828235.db2.gz MCHFHELGROCTKK-LBPRGKRZSA-N 0 3 222.288 0.925 20 0 BCADHN Cc1cnc(C(=O)N[C@H]2CCN(C(C)C)C2)cn1 ZINC000049296230 711841592 /nfs/dbraw/zinc/84/15/92/711841592.db2.gz KORPKGLFBRNYNY-NSHDSACASA-N 0 3 248.330 0.998 20 0 BCADHN COC[C@H](CN1CCOC[C@H]1CO)C(C)C ZINC000721977311 711856040 /nfs/dbraw/zinc/85/60/40/711856040.db2.gz SKXRNXLXPPIEHE-NWDGAFQWSA-N 0 3 231.336 0.598 20 0 BCADHN CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001077525256 711857983 /nfs/dbraw/zinc/85/79/83/711857983.db2.gz MTIDDSSONODFAE-NNYUYHANSA-N 0 3 240.347 0.604 20 0 BCADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001077527866 711860995 /nfs/dbraw/zinc/86/09/95/711860995.db2.gz RGXSPBYINCSDSX-UKKRHICBSA-N 0 3 226.320 0.212 20 0 BCADHN CCN1CC(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001031536976 711877445 /nfs/dbraw/zinc/87/74/45/711877445.db2.gz LTCBPWBIWRJVSW-UHFFFAOYSA-N 0 3 235.287 0.002 20 0 BCADHN COCC[C@H](C)N1CCN(CC(=O)OC)CC1 ZINC000355278208 711914474 /nfs/dbraw/zinc/91/44/74/711914474.db2.gz QNHFOWMZCIXGPD-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN C[S@](=O)CCCNCc1cnn(CCF)c1 ZINC000921752818 711938406 /nfs/dbraw/zinc/93/84/06/711938406.db2.gz XTIGZCLSQZIOPP-INIZCTEOSA-N 0 3 247.339 0.711 20 0 BCADHN CC(=O)N1C[C@H](C)[C@H](NCc2cnc(C)nc2)C1 ZINC001054303863 711945947 /nfs/dbraw/zinc/94/59/47/711945947.db2.gz SNZQWJKQKWYDBO-TVQRCGJNSA-N 0 3 248.330 0.741 20 0 BCADHN O=C(NC1CCN(CCO)CC1)c1ccccn1 ZINC001002230374 711947514 /nfs/dbraw/zinc/94/75/14/711947514.db2.gz JFCXYWQGSFKDNC-UHFFFAOYSA-N 0 3 249.314 0.268 20 0 BCADHN O=C(NC1CCN(CCO)CC1)[C@H]1CC1(F)F ZINC001002751830 711951385 /nfs/dbraw/zinc/95/13/85/711951385.db2.gz HWZBTEQMUBFYPK-SECBINFHSA-N 0 3 248.273 0.215 20 0 BCADHN C[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001032828816 711953384 /nfs/dbraw/zinc/95/33/84/711953384.db2.gz WGPZBQWYVBMOEE-CHWFTXMASA-N 0 3 226.320 0.214 20 0 BCADHN CCCN1CC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001038091623 711959559 /nfs/dbraw/zinc/95/95/59/711959559.db2.gz GKVACTTZTBIZGS-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN CN(C(=O)C1CCCC1)[C@H]1CCN(CCO)C1 ZINC001032867968 711965034 /nfs/dbraw/zinc/96/50/34/711965034.db2.gz QLVOMPRNIVIQFP-LBPRGKRZSA-N 0 3 240.347 0.702 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2cnc(C)cn2)C1 ZINC001032886302 711966137 /nfs/dbraw/zinc/96/61/37/711966137.db2.gz XFWXDOZZLBSPRU-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CN(C(=O)c1ccc[nH]1)[C@H]1CCN(CCO)C1 ZINC001032913805 711967718 /nfs/dbraw/zinc/96/77/18/711967718.db2.gz MZIPAQTYLUDNAC-JTQLQIEISA-N 0 3 237.303 0.153 20 0 BCADHN CC(C)C(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001032921215 711968184 /nfs/dbraw/zinc/96/81/84/711968184.db2.gz FPFYRNMXFFOYRW-SNVBAGLBSA-N 0 3 214.309 0.167 20 0 BCADHN CN(C(=O)C1=CCCC1)[C@H]1CCN(CCO)C1 ZINC001033012896 711970637 /nfs/dbraw/zinc/97/06/37/711970637.db2.gz YRMVRZUOZSTXDG-LBPRGKRZSA-N 0 3 238.331 0.622 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2cn(C)cn2)C1 ZINC001033002666 711970881 /nfs/dbraw/zinc/97/08/81/711970881.db2.gz VFQRFTBZZDDPCQ-JTQLQIEISA-N 0 3 236.319 0.586 20 0 BCADHN CN(C(=O)C=C1CCC1)[C@H]1CCN(CCO)C1 ZINC001032996045 711970907 /nfs/dbraw/zinc/97/09/07/711970907.db2.gz HPNJLZWWDGIDFR-LBPRGKRZSA-N 0 3 238.331 0.622 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2cncnc2)C1 ZINC001033027722 711971799 /nfs/dbraw/zinc/97/17/99/711971799.db2.gz OBBOYLSPUFFWIY-LLVKDONJSA-N 0 3 234.303 0.643 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2cncnc2)C1 ZINC001033027723 711971836 /nfs/dbraw/zinc/97/18/36/711971836.db2.gz OBBOYLSPUFFWIY-NSHDSACASA-N 0 3 234.303 0.643 20 0 BCADHN CN(C(=O)[C@H]1CC1(F)F)[C@H]1CCN(CCO)C1 ZINC001033056945 711972849 /nfs/dbraw/zinc/97/28/49/711972849.db2.gz HIPQWUHORTUTIQ-DTWKUNHWSA-N 0 3 248.273 0.167 20 0 BCADHN Cc1cc(N2CC[C@@H](C)[C@@H](CO)C2)nc(N)n1 ZINC000700450822 711995257 /nfs/dbraw/zinc/99/52/57/711995257.db2.gz IEFQCKJATFVOSJ-PSASIEDQSA-N 0 3 236.319 0.822 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC001033493834 711996734 /nfs/dbraw/zinc/99/67/34/711996734.db2.gz ABAUYCQXKYFMMO-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN Cc1cc(C(=O)N(C)CCN(C)CCO)co1 ZINC000700998654 712010781 /nfs/dbraw/zinc/01/07/81/712010781.db2.gz QQONJAUODRIUKB-UHFFFAOYSA-N 0 3 240.303 0.584 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000701105403 712015359 /nfs/dbraw/zinc/01/53/59/712015359.db2.gz HZGXXTZFWKWGKA-UVOCVTCTSA-N 0 3 244.335 0.278 20 0 BCADHN Cn1cncc1CNCCOC1CCOCC1 ZINC000701373365 712021633 /nfs/dbraw/zinc/02/16/33/712021633.db2.gz HSYJZVWGDUFUQD-UHFFFAOYSA-N 0 3 239.319 0.705 20 0 BCADHN C[S@@](=O)CCN1CC(C)(C)CC[C@H]1CO ZINC000701641760 712025682 /nfs/dbraw/zinc/02/56/82/712025682.db2.gz GDJLFBYATSLGDO-ZUZCIYMTSA-N 0 3 233.377 0.848 20 0 BCADHN O=C(N[C@@H]1CCCCN(CCO)C1)C1CC1 ZINC001034070432 712039090 /nfs/dbraw/zinc/03/90/90/712039090.db2.gz NGFKDSTXTXVYNN-LLVKDONJSA-N 0 3 226.320 0.359 20 0 BCADHN CCC1(C)CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000702342601 712045709 /nfs/dbraw/zinc/04/57/09/712045709.db2.gz QQCDJROGBFIOIZ-NSHDSACASA-N 0 3 241.379 0.914 20 0 BCADHN CC(C)CCN(C(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000702343501 712045973 /nfs/dbraw/zinc/04/59/73/712045973.db2.gz YWWYFVNORBXKAF-LBPRGKRZSA-N 0 3 241.379 0.912 20 0 BCADHN C[C@@H](C[C@H]1COCCN1)NCc1ncccn1 ZINC000702323204 712047048 /nfs/dbraw/zinc/04/70/48/712047048.db2.gz HJIUCDKDEJGCQV-QWRGUYRKSA-N 0 3 236.319 0.333 20 0 BCADHN C[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000702329131 712047132 /nfs/dbraw/zinc/04/71/32/712047132.db2.gz IKPZYVAAFSVOHW-MNOVXSKESA-N 0 3 227.352 0.524 20 0 BCADHN Cc1cccc(CN(C)C(=O)[C@@H](N)CN(C)C)c1 ZINC000702339719 712047756 /nfs/dbraw/zinc/04/77/56/712047756.db2.gz FRHZFPIEDPBWTA-ZDUSSCGKSA-N 0 3 249.358 0.842 20 0 BCADHN C[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000702331209 712048022 /nfs/dbraw/zinc/04/80/22/712048022.db2.gz YJRDIHZDJWGSLI-MXWKQRLJSA-N 0 3 227.352 0.570 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCC1CCCCC1 ZINC000702339031 712048028 /nfs/dbraw/zinc/04/80/28/712048028.db2.gz CQWPHIOTYVMCPN-LBPRGKRZSA-N 0 3 241.379 0.962 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC(C)(C)CC1 ZINC000702331109 712048075 /nfs/dbraw/zinc/04/80/75/712048075.db2.gz XBCYLHNIPVNJCQ-JTQLQIEISA-N 0 3 227.352 0.524 20 0 BCADHN Cc1ccc(NC(=O)[C@@H](N)CN(C)C)c(F)c1 ZINC000702375352 712049598 /nfs/dbraw/zinc/04/95/98/712049598.db2.gz KGORNPQFYJOQIV-JTQLQIEISA-N 0 3 239.294 0.962 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000702386629 712050316 /nfs/dbraw/zinc/05/03/16/712050316.db2.gz QKRALFQDELLNMQ-SRVKXCTJSA-N 0 3 239.363 0.666 20 0 BCADHN CCCN(CC(F)F)C(=O)[C@@H](N)CN(C)C ZINC000702391723 712050424 /nfs/dbraw/zinc/05/04/24/712050424.db2.gz PGOAGTHXSPLYMG-QMMMGPOBSA-N 0 3 237.294 0.379 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccccc1F ZINC000702409217 712050906 /nfs/dbraw/zinc/05/09/06/712050906.db2.gz OQLNGEFVKLTBII-VIFPVBQESA-N 0 3 225.267 0.653 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC1=CCCC1 ZINC000702401894 712051088 /nfs/dbraw/zinc/05/10/88/712051088.db2.gz ORACKEWSNHLONM-JTQLQIEISA-N 0 3 211.309 0.102 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)Cc1ccccc1 ZINC000702417575 712051912 /nfs/dbraw/zinc/05/19/12/712051912.db2.gz OPRGLRAXVBQGKJ-LBPRGKRZSA-N 0 3 235.331 0.534 20 0 BCADHN C[C@H]1Cc2ccccc2N1C(=O)[C@@H](N)CN(C)C ZINC000702426596 712052188 /nfs/dbraw/zinc/05/21/88/712052188.db2.gz DSCLWIYUMIPIQA-JQWIXIFHSA-N 0 3 247.342 0.853 20 0 BCADHN CC(C)CCOCCNC(=O)[C@@H](N)CN(C)C ZINC000702428704 712052212 /nfs/dbraw/zinc/05/22/12/712052212.db2.gz IFHXXIJQMKITQW-NSHDSACASA-N 0 3 245.367 0.054 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1nc2ccccc2[nH]1 ZINC000702431344 712052247 /nfs/dbraw/zinc/05/22/47/712052247.db2.gz SPOXOGCWHAZTBR-QMMMGPOBSA-N 0 3 247.302 0.390 20 0 BCADHN Cc1ccc(CNC(=O)[C@@H](N)CN(C)C)cc1 ZINC000702418359 712052415 /nfs/dbraw/zinc/05/24/15/712052415.db2.gz YVLJPWIWPNMXII-LBPRGKRZSA-N 0 3 235.331 0.500 20 0 BCADHN CCN(CC(C)C)C(=O)[C@@H](N)CN(C)C ZINC000702400350 712052870 /nfs/dbraw/zinc/05/28/70/712052870.db2.gz GJNUHQXPKNEPMZ-JTQLQIEISA-N 0 3 215.341 0.380 20 0 BCADHN CO[C@](C)(CO)CNCc1cnn2ccccc12 ZINC000702530926 712054694 /nfs/dbraw/zinc/05/46/94/712054694.db2.gz BIUATYGLMPVKHA-ZDUSSCGKSA-N 0 3 249.314 0.821 20 0 BCADHN COCC[C@H](N)C(=O)N1CCCC[C@@H](C)C1 ZINC000703282922 712069053 /nfs/dbraw/zinc/06/90/53/712069053.db2.gz LDGPAMAYRALYIO-MNOVXSKESA-N 0 3 228.336 0.999 20 0 BCADHN C[C@@H](O)CN[C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000703317514 712071917 /nfs/dbraw/zinc/07/19/17/712071917.db2.gz INJDTSWUHAEKBZ-BDAKNGLRSA-N 0 3 246.307 0.508 20 0 BCADHN Nc1ccc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)nn1 ZINC000703929220 712094811 /nfs/dbraw/zinc/09/48/11/712094811.db2.gz LEWYYBVTZUEGMM-GDPRMGEGSA-N 0 3 234.303 0.262 20 0 BCADHN CN(Cc1ccc(N)nn1)C[C@@H]1CCOC1 ZINC000703965182 712097037 /nfs/dbraw/zinc/09/70/37/712097037.db2.gz VEFSBUDWWKCTKI-VIFPVBQESA-N 0 3 222.292 0.527 20 0 BCADHN CN1CCOC[C@H]1CNCc1ccoc1 ZINC000703986423 712098282 /nfs/dbraw/zinc/09/82/82/712098282.db2.gz BDKMLQSFDMENQL-LLVKDONJSA-N 0 3 210.277 0.700 20 0 BCADHN CC(C)(C)NCc1cn([C@@H]2CC[C@H]2O)nn1 ZINC000704058667 712099320 /nfs/dbraw/zinc/09/93/20/712099320.db2.gz DLOBESSYFYMBSZ-NXEZZACHSA-N 0 3 224.308 0.862 20 0 BCADHN CN1CCC[C@H](NC[C@@H](O)c2ccccc2)C1=O ZINC000704310204 712103734 /nfs/dbraw/zinc/10/37/34/712103734.db2.gz MLPUUWILNNBKLI-QWHCGFSZSA-N 0 3 248.326 0.930 20 0 BCADHN COCC[C@H](N)C(=O)NCC[C@@H]1CCSC1 ZINC000704920275 712120371 /nfs/dbraw/zinc/12/03/71/712120371.db2.gz ZRQTYQWWXSZREE-ZJUUUORDSA-N 0 3 246.376 0.610 20 0 BCADHN COCCNCC(=O)NCC[C@H]1CCSC1 ZINC000704918740 712121467 /nfs/dbraw/zinc/12/14/67/712121467.db2.gz NIVDNNUJBLERAH-JTQLQIEISA-N 0 3 246.376 0.482 20 0 BCADHN CN(C[C@H]1CCC[N@H+](C)C1)c1cc(=O)[n-]cn1 ZINC000705203363 712124382 /nfs/dbraw/zinc/12/43/82/712124382.db2.gz NSOUJMXQONLUTH-JTQLQIEISA-N 0 3 236.319 0.960 20 0 BCADHN CN(C[C@H]1CCC[N@@H+](C)C1)c1cc(=O)[n-]cn1 ZINC000705203363 712124383 /nfs/dbraw/zinc/12/43/83/712124383.db2.gz NSOUJMXQONLUTH-JTQLQIEISA-N 0 3 236.319 0.960 20 0 BCADHN C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](N)CN(C)C ZINC000705279447 712127006 /nfs/dbraw/zinc/12/70/06/712127006.db2.gz XARUEHHMYAVYCA-AXFHLTTASA-N 0 3 227.352 0.665 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccsc1 ZINC000705253808 712127023 /nfs/dbraw/zinc/12/70/23/712127023.db2.gz UAZLQNQPZOFLRG-QMMMGPOBSA-N 0 3 213.306 0.576 20 0 BCADHN OC[C@H]1CN(Cc2ccccc2F)C[C@H]1CO ZINC000705384574 712129956 /nfs/dbraw/zinc/12/99/56/712129956.db2.gz CPCFTJGBKTYRRF-TXEJJXNPSA-N 0 3 239.290 0.858 20 0 BCADHN CCC[C@@H](CNC(=O)[C@H](CN)OC)OCC ZINC000705347222 712130129 /nfs/dbraw/zinc/13/01/29/712130129.db2.gz SNHJOVZBFBWPPG-UWVGGRQHSA-N 0 3 232.324 0.282 20 0 BCADHN CCC[C@H](CNC(=O)[C@@H](N)CCOC)OCC ZINC000705365981 712130753 /nfs/dbraw/zinc/13/07/53/712130753.db2.gz WCDUBQYNIVQMKO-MNOVXSKESA-N 0 3 246.351 0.672 20 0 BCADHN C[C@@H]1CN(c2ccncc2CO)C[C@H]1O ZINC000387863588 712147338 /nfs/dbraw/zinc/14/73/38/712147338.db2.gz IBBBSSDOBDMMNU-LDYMZIIASA-N 0 3 208.261 0.391 20 0 BCADHN O=S(=O)(N[C@H]1CCCC12CC2)C1CNC1 ZINC000706605581 712150120 /nfs/dbraw/zinc/15/01/20/712150120.db2.gz FBCBRCQBCDPNLV-VIFPVBQESA-N 0 3 230.333 0.210 20 0 BCADHN CCC1(O)CCN(C(=O)[C@H](N)CC2CC2)CC1 ZINC000707440114 712170330 /nfs/dbraw/zinc/17/03/30/712170330.db2.gz WEHIQSLOCVWGLN-LLVKDONJSA-N 0 3 240.347 0.877 20 0 BCADHN CN(CCn1cccn1)c1ccnc(CO)c1 ZINC000707610228 712175997 /nfs/dbraw/zinc/17/59/97/712175997.db2.gz ZONCYTSFDUUFJM-UHFFFAOYSA-N 0 3 232.287 0.907 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@@H]1CC(C)(C)CO1 ZINC000708357356 712191296 /nfs/dbraw/zinc/19/12/96/712191296.db2.gz ZCZVPHHUYZZYJL-UWVGGRQHSA-N 0 3 249.376 0.824 20 0 BCADHN CN(C[C@@H]1CC(C)(C)CO1)[C@@H]1COC[C@H]1O ZINC000708624960 712195865 /nfs/dbraw/zinc/19/58/65/712195865.db2.gz VLKJOOJRJZBWOS-HBNTYKKESA-N 0 3 229.320 0.493 20 0 BCADHN Cc1nc(CN[C@H]2CCN(C)C2)[nH]c1C ZINC000709057282 712206827 /nfs/dbraw/zinc/20/68/27/712206827.db2.gz UHUMIGOWBZXTAL-JTQLQIEISA-N 0 3 208.309 0.820 20 0 BCADHN CCN1C[C@@H](CN2CC[C@](C)(O)C2)OC1=O ZINC000709771700 712220807 /nfs/dbraw/zinc/22/08/07/712220807.db2.gz CVYTZXBAVDINKB-KOLCDFICSA-N 0 3 228.292 0.284 20 0 BCADHN CCN(CCO)C[C@H]1CN(CC)C(=O)O1 ZINC000709788801 712226630 /nfs/dbraw/zinc/22/66/30/712226630.db2.gz VAKDJWOXZSOBBX-VIFPVBQESA-N 0 3 216.281 0.141 20 0 BCADHN CN(CCO[C@H]1CC1(F)F)[C@@H]1COC[C@H]1O ZINC000709626943 712225573 /nfs/dbraw/zinc/22/55/73/712225573.db2.gz RNNUTABRKSRQQC-HLTSFMKQSA-N 0 3 237.246 0.102 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCc1ccns1 ZINC000709790967 712227336 /nfs/dbraw/zinc/22/73/36/712227336.db2.gz OEBZUPLHGVQIHJ-QMMMGPOBSA-N 0 3 248.373 0.708 20 0 BCADHN CC(=O)NCCCN[C@@H](C)c1cn(C)cn1 ZINC000709903775 712231927 /nfs/dbraw/zinc/23/19/27/712231927.db2.gz IYIYGBYAUZLNAH-VIFPVBQESA-N 0 3 224.308 0.597 20 0 BCADHN C[C@H](N[C@H]1CCC[C@@H]1O)c1cn(C)cn1 ZINC000709921430 712233053 /nfs/dbraw/zinc/23/30/53/712233053.db2.gz SHICGNSYTOKQAP-QXEWZRGKSA-N 0 3 209.293 0.984 20 0 BCADHN CCN(C(=O)C(OC)OC)[C@@H]1CCN(CC)C1 ZINC000709925632 712233697 /nfs/dbraw/zinc/23/36/97/712233697.db2.gz XSEKVUSMEUUUJB-SNVBAGLBSA-N 0 3 244.335 0.548 20 0 BCADHN CC[C@@]1(O)CCCN(CC[S@](C)=O)C1 ZINC000710569113 712250432 /nfs/dbraw/zinc/25/04/32/712250432.db2.gz UPCDIBXARZDPSH-YGRLFVJLSA-N 0 3 219.350 0.602 20 0 BCADHN C[C@@H](CC1CCC1)NC(=O)[C@@H](N)CN(C)C ZINC000710298366 712250672 /nfs/dbraw/zinc/25/06/72/712250672.db2.gz SHUVOKCGSBULCX-ONGXEEELSA-N 0 3 227.352 0.570 20 0 BCADHN CCN(C(=O)C(OC)OC)[C@H]1CCN(C)C1 ZINC000710516544 712254356 /nfs/dbraw/zinc/25/43/56/712254356.db2.gz HEBSVNLZBGDWOJ-VIFPVBQESA-N 0 3 230.308 0.158 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@H]1COC[C@@H]1C ZINC000710950573 712267094 /nfs/dbraw/zinc/26/70/94/712267094.db2.gz QCGWCRYUXRCGEI-GUBZILKMSA-N 0 3 214.309 0.526 20 0 BCADHN COC1(OC)CC[C@H]1N[C@H]1CCOC1 ZINC000710960070 712268462 /nfs/dbraw/zinc/26/84/62/712268462.db2.gz MFZIDYGOCYHIEG-DTWKUNHWSA-N 0 3 201.266 0.516 20 0 BCADHN COC1(OC)CC[C@H]1NCCc1cnccn1 ZINC000710967934 712270485 /nfs/dbraw/zinc/27/04/85/712270485.db2.gz RPQHZVGMDVEFDM-LLVKDONJSA-N 0 3 237.303 0.760 20 0 BCADHN CNC(=O)C[C@@H](C)N[C@H]1CCC1(OC)OC ZINC000710987130 712272363 /nfs/dbraw/zinc/27/23/63/712272363.db2.gz HOLZYBIHEOEIQV-BDAKNGLRSA-N 0 3 230.308 0.252 20 0 BCADHN CO[C@](C)(CO)CN[C@H]1CCC1(OC)OC ZINC000710987625 712272425 /nfs/dbraw/zinc/27/24/25/712272425.db2.gz IQDNVXPSEZFNOF-UWVGGRQHSA-N 0 3 233.308 0.125 20 0 BCADHN COC[C@@H](C)N[C@@H]1CCC1(OC)OC ZINC000710993325 712272952 /nfs/dbraw/zinc/27/29/52/712272952.db2.gz HLWGVAHZIPTTBC-RKDXNWHRSA-N 0 3 203.282 0.762 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@H](CF)C1 ZINC000711399392 712298119 /nfs/dbraw/zinc/29/81/19/712298119.db2.gz LVIKJXZGCKNYDT-IUCAKERBSA-N 0 3 202.273 0.932 20 0 BCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H](O)C1 ZINC000923262408 712308961 /nfs/dbraw/zinc/30/89/61/712308961.db2.gz YSTXUKDBXAGNDW-NNYUYHANSA-N 0 3 238.331 0.452 20 0 BCADHN CN(CCOCCO)CCOC1CC1 ZINC000711786375 712330337 /nfs/dbraw/zinc/33/03/37/712330337.db2.gz NPYWJCNTGJGZTL-UHFFFAOYSA-N 0 3 203.282 0.106 20 0 BCADHN NC1(C(=O)N[C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000711858662 712335606 /nfs/dbraw/zinc/33/56/06/712335606.db2.gz RXDXPNGDDRLWKN-WDEREUQCSA-N 0 3 238.331 0.799 20 0 BCADHN NCC(=O)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC000711854474 712337048 /nfs/dbraw/zinc/33/70/48/712337048.db2.gz FLJDFNJZKOKIKL-GXSJLCMTSA-N 0 3 212.293 0.267 20 0 BCADHN C[C@@H](C(=O)N[C@@H]1CN(CCO)C[C@H]1C)C1CC1 ZINC001079537750 712348825 /nfs/dbraw/zinc/34/88/25/712348825.db2.gz GKGDXLABNFCLBZ-CKYFFXLPSA-N 0 3 240.347 0.461 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)C=C1CCC1 ZINC001079554239 712349635 /nfs/dbraw/zinc/34/96/35/712349635.db2.gz RHXTZKOOFJKNIK-ZYHUDNBSSA-N 0 3 238.331 0.526 20 0 BCADHN CS[C@H]1CC[C@H]1NCCS(C)(=O)=O ZINC000702407612 712357441 /nfs/dbraw/zinc/35/74/41/712357441.db2.gz TXVBYWHPAHCZBC-SFYZADRCSA-N 0 3 223.363 0.515 20 0 BCADHN CCCOC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000702638544 712362324 /nfs/dbraw/zinc/36/23/24/712362324.db2.gz AAOOQYWWJRWLQM-JTQLQIEISA-N 0 3 216.281 0.189 20 0 BCADHN Cc1cc(C(=O)NOCCN(C)C)co1 ZINC000379075718 712369394 /nfs/dbraw/zinc/36/93/94/712369394.db2.gz CYYLWBSEOYHURZ-UHFFFAOYSA-N 0 3 212.249 0.811 20 0 BCADHN C[C@@H](C(=O)NOCCN(C)C)C1CC1 ZINC000379108816 712369740 /nfs/dbraw/zinc/36/97/40/712369740.db2.gz RIQSERWPJANCAU-MRVPVSSYSA-N 0 3 200.282 0.642 20 0 BCADHN CO[C@@H](C)CCC(=O)[N-]OCC[NH+](C)C ZINC000379158927 712370279 /nfs/dbraw/zinc/37/02/79/712370279.db2.gz LHGSUXJNNVGPSH-VIFPVBQESA-N 0 3 218.297 0.411 20 0 BCADHN C[C@@H]1COCC[C@H]1C(=O)NOCCN(C)C ZINC000379195879 712371234 /nfs/dbraw/zinc/37/12/34/712371234.db2.gz XBPOEGSYXUJSSN-NXEZZACHSA-N 0 3 230.308 0.268 20 0 BCADHN C[C@H](NCCS(C)(=O)=O)[C@@H]1CCCCO1 ZINC000379269685 712371774 /nfs/dbraw/zinc/37/17/74/712371774.db2.gz UQQWFOTVCCGORA-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN CSC[C@H](C)NC(=O)[C@H](N)CC1CC1 ZINC000379501176 712386083 /nfs/dbraw/zinc/38/60/83/712386083.db2.gz JYDJTGYAOSCWGU-IONNQARKSA-N 0 3 216.350 0.982 20 0 BCADHN C[S@](=O)CCNC[C@@](C)(O)C(F)(F)F ZINC000379628773 712391045 /nfs/dbraw/zinc/39/10/45/712391045.db2.gz LPGFFEKFBLWEIY-RCNPXXIZSA-N 0 3 233.255 0.268 20 0 BCADHN OCCN(CCO)C[C@H]1CCC2(CCC2)O1 ZINC000712499080 712431060 /nfs/dbraw/zinc/43/10/60/712431060.db2.gz VEGRUKBGTLFFII-LLVKDONJSA-N 0 3 229.320 0.375 20 0 BCADHN CCN1CC[C@H]1CNCc1ccnc(OC)n1 ZINC000712578352 712432726 /nfs/dbraw/zinc/43/27/26/712432726.db2.gz BBFCATGUMLUONT-NSHDSACASA-N 0 3 236.319 0.669 20 0 BCADHN CCN1CC[C@@H]1CNCc1ccnc(OC)n1 ZINC000712578348 712432873 /nfs/dbraw/zinc/43/28/73/712432873.db2.gz BBFCATGUMLUONT-LLVKDONJSA-N 0 3 236.319 0.669 20 0 BCADHN CC1(C)CCNCCN1S(=O)(=O)C1CC1 ZINC000712586024 712434870 /nfs/dbraw/zinc/43/48/70/712434870.db2.gz ZTNSHMDTQSEXBJ-UHFFFAOYSA-N 0 3 232.349 0.553 20 0 BCADHN C[C@](CO)(NCCn1cnnn1)c1ccccc1 ZINC000712607637 712437231 /nfs/dbraw/zinc/43/72/31/712437231.db2.gz ZIWYQWAPNQQAIH-GFCCVEGCSA-N 0 3 247.302 0.170 20 0 BCADHN CCN1CC[C@@H]1CNc1cc(C)nc2ncnn21 ZINC000712608923 712437417 /nfs/dbraw/zinc/43/74/17/712437417.db2.gz UQCSOXDBRSCKGY-SNVBAGLBSA-N 0 3 246.318 0.939 20 0 BCADHN CO[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC000714726595 712496886 /nfs/dbraw/zinc/49/68/86/712496886.db2.gz XWEJRUNGVRECRZ-HOMQSWHASA-N 0 3 209.293 0.935 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000036810658 712498229 /nfs/dbraw/zinc/49/82/29/712498229.db2.gz RPLUJJZUUVZUHQ-SNVBAGLBSA-N 0 3 248.286 0.778 20 0 BCADHN CCn1cc(CNC[C@@H](C)CCCO)nn1 ZINC000714897739 712499076 /nfs/dbraw/zinc/49/90/76/712499076.db2.gz YZKGTCBMBSKQGS-JTQLQIEISA-N 0 3 226.324 0.796 20 0 BCADHN O=S(=O)(CCCC1CC1)NC1CNC1 ZINC000715018967 712503984 /nfs/dbraw/zinc/50/39/84/712503984.db2.gz MXRASMVHCGIOQV-UHFFFAOYSA-N 0 3 218.322 0.068 20 0 BCADHN CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CN ZINC000036999250 712528952 /nfs/dbraw/zinc/52/89/52/712528952.db2.gz NXGDNXUVDXKEJI-VIFPVBQESA-N 0 3 224.308 0.373 20 0 BCADHN CC[C@H](N)C(=O)Nc1cccnc1OC ZINC000037030642 712530285 /nfs/dbraw/zinc/53/02/85/712530285.db2.gz RMBBWMCKYQNHEI-ZETCQYMHSA-N 0 3 209.249 0.766 20 0 BCADHN c1ncc(CN[C@@H]2CCCC23OCCO3)[nH]1 ZINC000715760942 712531882 /nfs/dbraw/zinc/53/18/82/712531882.db2.gz JSKYSJLQWJQNNU-SNVBAGLBSA-N 0 3 223.276 0.795 20 0 BCADHN COCCCCN[C@H](C)c1cn(C)nn1 ZINC000715873453 712538011 /nfs/dbraw/zinc/53/80/11/712538011.db2.gz CFBQFDQHFHUXAR-SECBINFHSA-N 0 3 212.297 0.892 20 0 BCADHN COCCN(C)CCN[C@@H](C)c1cn(C)nn1 ZINC000715837216 712534772 /nfs/dbraw/zinc/53/47/72/712534772.db2.gz NDWRNWHXHYPUFO-JTQLQIEISA-N 0 3 241.339 0.044 20 0 BCADHN COC[C@H](C)CN[C@@H](C)c1cn(C)nn1 ZINC000715881135 712538993 /nfs/dbraw/zinc/53/89/93/712538993.db2.gz YBRVJHOGHRCVIK-BDAKNGLRSA-N 0 3 212.297 0.748 20 0 BCADHN C[C@@H](NC[C@H]1CCCN1C)c1cn(C)nn1 ZINC000715912714 712541909 /nfs/dbraw/zinc/54/19/09/712541909.db2.gz QDULIYZOVHMVHL-NXEZZACHSA-N 0 3 223.324 0.560 20 0 BCADHN OCCN(CCO)C[C@H]1CCC2(CCC2)CO1 ZINC000716316634 712554285 /nfs/dbraw/zinc/55/42/85/712554285.db2.gz MYWSTTOSJBBUDJ-GFCCVEGCSA-N 0 3 243.347 0.622 20 0 BCADHN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000716448007 712561402 /nfs/dbraw/zinc/56/14/02/712561402.db2.gz SZVHQNPPQGVZLI-DGORSVRFSA-N 0 3 238.331 0.383 20 0 BCADHN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NC[C@H]1CNCCO1 ZINC000716448009 712561543 /nfs/dbraw/zinc/56/15/43/712561543.db2.gz SZVHQNPPQGVZLI-LDMBFOFVSA-N 0 3 238.331 0.383 20 0 BCADHN Cc1cc(CNC2CC(S(C)(=O)=O)C2)n[nH]1 ZINC000716469892 712563272 /nfs/dbraw/zinc/56/32/72/712563272.db2.gz AWEBKBPMOFPUFI-UHFFFAOYSA-N 0 3 243.332 0.383 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000716677404 712569266 /nfs/dbraw/zinc/56/92/66/712569266.db2.gz BGFKUTDOLNEUKO-LOWVWBTDSA-N 0 3 240.347 0.605 20 0 BCADHN CN(C)C[C@@H](CO)Nc1ncnc2c1CCC2 ZINC000716752372 712572507 /nfs/dbraw/zinc/57/25/07/712572507.db2.gz JIXUQRYPSZZLBL-VIFPVBQESA-N 0 3 236.319 0.300 20 0 BCADHN Cc1cc(CNC(=O)[C@H](N)CC2CC2)[nH]n1 ZINC000716774449 712573240 /nfs/dbraw/zinc/57/32/40/712573240.db2.gz OCRFJTYZHWVWBL-SNVBAGLBSA-N 0 3 222.292 0.462 20 0 BCADHN CS(=O)(=O)N[C@H]1CCN(CCCC2CC2)C1 ZINC000813336113 712587869 /nfs/dbraw/zinc/58/78/69/712587869.db2.gz LNSWLGKRJVGFOW-NSHDSACASA-N 0 3 246.376 0.800 20 0 BCADHN Cc1nc(C)c(CN2C[C@H](C)[C@H](O)C2)[nH]1 ZINC000930163220 712616010 /nfs/dbraw/zinc/61/60/10/712616010.db2.gz RFNVOGBNLFYPPS-WRWORJQWSA-N 0 3 209.293 0.839 20 0 BCADHN CC[C@@]1(NCC(=O)N(C)OC)CCOC1 ZINC000379959012 712636761 /nfs/dbraw/zinc/63/67/61/712636761.db2.gz WIBYLBFDKTWRBL-SNVBAGLBSA-N 0 3 216.281 0.165 20 0 BCADHN Cc1ccc(CNC[C@@H](O)[C@H](C)O)cc1F ZINC000717306494 712645979 /nfs/dbraw/zinc/64/59/79/712645979.db2.gz IGLKAARLXRLCQB-JOYOIKCWSA-N 0 3 227.279 0.965 20 0 BCADHN CCn1cc([C@H](C)NC[C@H](O)[C@@H](C)O)cn1 ZINC000717309507 712646221 /nfs/dbraw/zinc/64/62/21/712646221.db2.gz USTAMTBCBLDSQD-NGZCFLSTSA-N 0 3 227.308 0.295 20 0 BCADHN CC(C)n1cc(CNC[C@H](O)[C@H](C)O)cn1 ZINC000717310429 712646311 /nfs/dbraw/zinc/64/63/11/712646311.db2.gz WKVAWZWYPLLRSX-ONGXEEELSA-N 0 3 227.308 0.295 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cccc2c1OCC2 ZINC000717389385 712653284 /nfs/dbraw/zinc/65/32/84/712653284.db2.gz XDDRLOHOUQTNML-CABZTGNLSA-N 0 3 237.299 0.453 20 0 BCADHN C[C@@H](O)[C@@H](O)CNc1ccnc2ccccc21 ZINC000717417159 712656825 /nfs/dbraw/zinc/65/68/25/712656825.db2.gz VOJVJFWLIRJBQJ-RNCFNFMXSA-N 0 3 232.283 0.810 20 0 BCADHN Cc1ncsc1CNC[C@@H](O)[C@@H](C)O ZINC000717418556 712656837 /nfs/dbraw/zinc/65/68/37/712656837.db2.gz GFGKZQGSMNDYLY-HTQZYQBOSA-N 0 3 216.306 0.283 20 0 BCADHN CC1(C)CO[C@H](CNC(=O)C2(N)CC2)C1 ZINC000717615569 712662446 /nfs/dbraw/zinc/66/24/46/712662446.db2.gz AVPGTRYPGZBAKS-QMMMGPOBSA-N 0 3 212.293 0.409 20 0 BCADHN COCCNCC(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000717650459 712663139 /nfs/dbraw/zinc/66/31/39/712663139.db2.gz JLWFSZUPUKOWRK-JTQLQIEISA-N 0 3 244.335 0.154 20 0 BCADHN C[NH2+]CCC(=O)[N-]O[C@@H]1CCCCO1 ZINC000389899277 712690959 /nfs/dbraw/zinc/69/09/59/712690959.db2.gz BYPGOZUUBNZBRJ-SECBINFHSA-N 0 3 202.254 0.170 20 0 BCADHN Cn1cnc(CN[C@](C)(CO)C2CC2)c1 ZINC000380187469 712707308 /nfs/dbraw/zinc/70/73/08/712707308.db2.gz NTNWFLFCGHWMRI-LLVKDONJSA-N 0 3 209.293 0.671 20 0 BCADHN Cc1cnc(CN[C@@H](CO)C2CC2)cn1 ZINC000380192837 712710600 /nfs/dbraw/zinc/71/06/00/712710600.db2.gz PNCIWRQRAHPGLC-NSHDSACASA-N 0 3 207.277 0.646 20 0 BCADHN CNC(=O)c1ccc(CN[C@]23C[C@H]2COC3)cc1 ZINC000718047580 712738636 /nfs/dbraw/zinc/73/86/36/712738636.db2.gz UKBAZJMEMCJALB-JSGCOSHPSA-N 0 3 246.310 0.925 20 0 BCADHN Nc1cnc(CN2C[C@@H]3COC[C@@H]3C2)cn1 ZINC000718192118 712752789 /nfs/dbraw/zinc/75/27/89/712752789.db2.gz MCDNPDRPONTPEE-DTORHVGOSA-N 0 3 220.276 0.137 20 0 BCADHN OCc1cc(N2C[C@@H]3COC[C@@H]3C2)ccn1 ZINC000718328930 712755386 /nfs/dbraw/zinc/75/53/86/712755386.db2.gz AWMYBTUVYIBRIJ-AOOOYVTPSA-N 0 3 220.272 0.657 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CC[C@@H](C2OCCO2)C1 ZINC000718986869 712792128 /nfs/dbraw/zinc/79/21/28/712792128.db2.gz FMUDDWRIDJQUQU-VHSXEESVSA-N 0 3 242.319 0.158 20 0 BCADHN c1nc2n(c1CNC[C@@H]1COCCO1)CCC2 ZINC000719159489 712799089 /nfs/dbraw/zinc/79/90/89/712799089.db2.gz XAUWHXRXKCXGPK-LLVKDONJSA-N 0 3 237.303 0.334 20 0 BCADHN CCC1(CNC(=O)c2c(CN)cnn2C)CC1 ZINC000719244416 712801362 /nfs/dbraw/zinc/80/13/62/712801362.db2.gz MHZOMCVFJHUMHG-UHFFFAOYSA-N 0 3 236.319 0.799 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)c1c(CN)cnn1C ZINC000719245100 712801337 /nfs/dbraw/zinc/80/13/37/712801337.db2.gz PSSAYTKMWYWLQT-HTRCEHHLSA-N 0 3 208.265 0.017 20 0 BCADHN Cn1ncc(CN)c1C(=O)N1CCC(C)(C)C1 ZINC000719245064 712801358 /nfs/dbraw/zinc/80/13/58/712801358.db2.gz ONWILUCQTHVTNJ-UHFFFAOYSA-N 0 3 236.319 0.751 20 0 BCADHN CN(Cc1ccco1)C(=O)c1c(CN)cnn1C ZINC000719243138 712801511 /nfs/dbraw/zinc/80/15/11/712801511.db2.gz CBJWULGLTGVQGD-UHFFFAOYSA-N 0 3 248.286 0.744 20 0 BCADHN C[C@H]1CCC[C@@H]1NC(=O)c1c(CN)cnn1C ZINC000719244329 712801624 /nfs/dbraw/zinc/80/16/24/712801624.db2.gz LHQJVHNILUGBTF-WPRPVWTQSA-N 0 3 236.319 0.797 20 0 BCADHN Cn1ncc(CN)c1C(=O)NCC1CCC1 ZINC000719256693 712802268 /nfs/dbraw/zinc/80/22/68/712802268.db2.gz NJPLHKKXAIKAEH-UHFFFAOYSA-N 0 3 222.292 0.409 20 0 BCADHN C[C@@H]1[C@H](NC(=O)N[C@@H]2CCOC2)CCN1C ZINC000719372657 712805736 /nfs/dbraw/zinc/80/57/36/712805736.db2.gz IAVGESRYGIXJLC-OPRDCNLKSA-N 0 3 227.308 0.167 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCOC2)CCN1C ZINC000719372655 712806328 /nfs/dbraw/zinc/80/63/28/712806328.db2.gz IAVGESRYGIXJLC-BBBLOLIVSA-N 0 3 227.308 0.167 20 0 BCADHN C[C@H]1[C@@H](Nc2cc(=O)[n-]cn2)CC[N@@H+]1C ZINC000719569647 712810694 /nfs/dbraw/zinc/81/06/94/712810694.db2.gz LEQXIXCWQNDBNP-YUMQZZPRSA-N 0 3 208.265 0.687 20 0 BCADHN C[C@H]1[C@@H](Nc2cc(=O)[n-]cn2)CC[N@H+]1C ZINC000719569647 712810695 /nfs/dbraw/zinc/81/06/95/712810695.db2.gz LEQXIXCWQNDBNP-YUMQZZPRSA-N 0 3 208.265 0.687 20 0 BCADHN CCn1cc(CN[C@@H]2CCN(C)[C@H]2C)nn1 ZINC000719573016 712811095 /nfs/dbraw/zinc/81/10/95/712811095.db2.gz WHUNVRBCEDSRLD-GXSJLCMTSA-N 0 3 223.324 0.480 20 0 BCADHN C[C@@H]1[C@@H](NCc2nccn2C)CCN1C ZINC000719623541 712814368 /nfs/dbraw/zinc/81/43/68/712814368.db2.gz LVFCRIKBFYFXGW-ZJUUUORDSA-N 0 3 208.309 0.602 20 0 BCADHN Cc1nnc(N[C@H]2CCN(C)[C@H]2C)nc1C ZINC000719603737 712816067 /nfs/dbraw/zinc/81/60/67/712816067.db2.gz SLBZJMMKSOHQDQ-UWVGGRQHSA-N 0 3 221.308 0.993 20 0 BCADHN CC(C)(O)[C@@H]1CCCN(CC(=O)N2CCC2)C1 ZINC000719644331 712819409 /nfs/dbraw/zinc/81/94/09/712819409.db2.gz USGFVEUBHYSSCN-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN CCNC(=O)CN1CCC[C@@H](C(C)(C)O)C1 ZINC000719701739 712821905 /nfs/dbraw/zinc/82/19/05/712821905.db2.gz NKDHWKRAERDAHV-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H](N)c1cn(CCc2ccns2)nn1 ZINC000719852043 712825984 /nfs/dbraw/zinc/82/59/84/712825984.db2.gz QMYUBIWGUZZKQL-SSDOTTSWSA-N 0 3 223.305 0.997 20 0 BCADHN COC(OC)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720810521 712867159 /nfs/dbraw/zinc/86/71/59/712867159.db2.gz LNDLVINCZRFIQI-VHSXEESVSA-N 0 3 242.319 0.300 20 0 BCADHN COCC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720878295 712872890 /nfs/dbraw/zinc/87/28/90/712872890.db2.gz QBBDACHECBHAIO-UWVGGRQHSA-N 0 3 212.293 0.328 20 0 BCADHN CC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000721053385 712888768 /nfs/dbraw/zinc/88/87/68/712888768.db2.gz HVUZPBPBUPWWCN-GFCCVEGCSA-N 0 3 204.273 0.837 20 0 BCADHN CC[C@@H](CN1CC[C@H]1CNC(C)=O)OC ZINC001037980343 712895564 /nfs/dbraw/zinc/89/55/64/712895564.db2.gz KIJKJVGJPSZKPT-QWRGUYRKSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H](CN1CC[C@@H]1CNC(C)=O)OC ZINC001037980340 712895448 /nfs/dbraw/zinc/89/54/48/712895448.db2.gz KIJKJVGJPSZKPT-GHMZBOCLSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H]1CN(c2ncnc3c2CNC3)[C@@H](C)CN1C ZINC001164635913 719179604 /nfs/dbraw/zinc/17/96/04/719179604.db2.gz MAVOULLBOQGUED-UWVGGRQHSA-N 0 3 247.346 0.609 20 0 BCADHN CN1CCO[C@H]2CN(c3cccc(N)n3)C[C@@H]21 ZINC001164669116 719381141 /nfs/dbraw/zinc/38/11/41/719381141.db2.gz PYKZUBNJKOSOHG-UWVGGRQHSA-N 0 3 234.303 0.183 20 0 BCADHN COc1ccnc(N2C[C@H]3OCCN(C)[C@H]3C2)c1 ZINC001164667574 719371665 /nfs/dbraw/zinc/37/16/65/719371665.db2.gz KNHZCWSQRYJWAL-NWDGAFQWSA-N 0 3 249.314 0.609 20 0 BCADHN COc1ccnc(N2C[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC001164667576 719372090 /nfs/dbraw/zinc/37/20/90/719372090.db2.gz KNHZCWSQRYJWAL-VXGBXAGGSA-N 0 3 249.314 0.609 20 0 BCADHN CCC[C@H](N)C(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000227163788 398135912 /nfs/dbraw/zinc/13/59/12/398135912.db2.gz IUIPWIROMDCTNV-HBNTYKKESA-N 0 3 226.320 0.894 20 0 BCADHN COC1(C)CCN(CCN2CCOCC2)CC1 ZINC000336729487 398137057 /nfs/dbraw/zinc/13/70/57/398137057.db2.gz XKLYBJLHZHYQKJ-UHFFFAOYSA-N 0 3 242.363 0.820 20 0 BCADHN CC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000053457098 136209960 /nfs/dbraw/zinc/20/99/60/136209960.db2.gz KVKROGZXPKNZFJ-LBPRGKRZSA-N 0 3 226.320 0.720 20 0 BCADHN CCSCCN[C@H]1CCS(=O)(=O)C1 ZINC000053616314 136210135 /nfs/dbraw/zinc/21/01/35/136210135.db2.gz HQGUVXLDWPSEBO-QMMMGPOBSA-N 0 3 223.363 0.516 20 0 BCADHN C[C@@H]1CCN(CCn2cccn2)C[C@@H]1O ZINC000093332901 343976739 /nfs/dbraw/zinc/97/67/39/343976739.db2.gz NBNUIBRXMSJRIO-MNOVXSKESA-N 0 3 209.293 0.586 20 0 BCADHN CC(C(=O)N[C@@]1(C)CCCOC1)S(C)(=O)=O ZINC000408094536 136210446 /nfs/dbraw/zinc/21/04/46/136210446.db2.gz SPVUBUZFFKAKHT-SCZZXKLOSA-N 0 3 249.332 0.105 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)NCCN(C)C)C[C@H](C)O1 ZINC000245506854 398139597 /nfs/dbraw/zinc/13/95/97/398139597.db2.gz OSXVQEWTVNYKRY-JGPRNRPPSA-N 0 3 243.351 0.803 20 0 BCADHN CC[C@@H](O)CN1CCN(CCOC)CC1(C)C ZINC000649850125 398139632 /nfs/dbraw/zinc/13/96/32/398139632.db2.gz ZXJGZNBPTYUYFZ-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN CCCNC(=O)CCNCc1cn[nH]c1 ZINC000389836307 398140625 /nfs/dbraw/zinc/14/06/25/398140625.db2.gz DXRHDVIRNHXFOA-UHFFFAOYSA-N 0 3 210.281 0.416 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000638695664 352533514 /nfs/dbraw/zinc/53/35/14/352533514.db2.gz QDCNCHABYHCKLL-AXFHLTTASA-N 0 3 226.320 0.653 20 0 BCADHN C[C@@H](NC1COCCOC1)[C@H]1CCCCO1 ZINC000379308809 398141917 /nfs/dbraw/zinc/14/19/17/398141917.db2.gz XSXKTUCCKMHXPF-ZYHUDNBSSA-N 0 3 229.320 0.949 20 0 BCADHN CN1CCC[C@H](N2CC[C@@H](CCCO)C2)C1=O ZINC000650353282 398141954 /nfs/dbraw/zinc/14/19/54/398141954.db2.gz CEPHCHUBSWGACA-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069947630 168324400 /nfs/dbraw/zinc/32/44/00/168324400.db2.gz DYIXSKLPISPBSS-UHFFFAOYSA-N 0 3 246.336 0.206 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC000268263581 538917187 /nfs/dbraw/zinc/91/71/87/538917187.db2.gz ZRTFVODOGDOVCP-SKDRFNHKSA-N 0 3 248.330 0.551 20 0 BCADHN Cc1cnc([C@@H](C)N2C[C@@H](C)[C@H](C(N)=O)C2)cn1 ZINC000408380003 398143983 /nfs/dbraw/zinc/14/39/83/398143983.db2.gz RZXDBYVTXAVDED-FBIMIBRVSA-N 0 3 248.330 0.899 20 0 BCADHN Cc1nnsc1CN[C@@H](C)CCO ZINC000379401966 398144634 /nfs/dbraw/zinc/14/46/34/398144634.db2.gz LYJURWVDVGJTOE-LURJTMIESA-N 0 3 201.295 0.707 20 0 BCADHN COCCCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000153416315 136212892 /nfs/dbraw/zinc/21/28/92/136212892.db2.gz FITFKVXUXGVVHN-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](C)N)C[C@@H](C)O1 ZINC000155634937 136213197 /nfs/dbraw/zinc/21/31/97/136213197.db2.gz DOYUPKHXYCNGCM-IWSPIJDZSA-N 0 3 200.282 0.360 20 0 BCADHN C[C@H](N)C(=O)N(C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000161621195 349476707 /nfs/dbraw/zinc/47/67/07/349476707.db2.gz OLFNTHNZOWOHME-JLIMGVALSA-N 0 3 226.320 0.606 20 0 BCADHN CO[C@H](C)[C@H](C)NC[C@@H]1CCCS1(=O)=O ZINC000161889895 538919778 /nfs/dbraw/zinc/91/97/78/538919778.db2.gz VWGYUFHCWOEMLT-AEJSXWLSSA-N 0 3 235.349 0.577 20 0 BCADHN COC[C@@H](NC(=O)[C@H](N)C(C)C)C1CC1 ZINC000125390835 398150273 /nfs/dbraw/zinc/15/02/73/398150273.db2.gz IQEPOVRIRUAFNB-NXEZZACHSA-N 0 3 214.309 0.511 20 0 BCADHN Cc1cc(CN2CC[C@](C)(C(N)=O)C2)on1 ZINC000280690166 178002609 /nfs/dbraw/zinc/00/26/09/178002609.db2.gz HOCILDKNCVPQPL-NSHDSACASA-N 0 3 223.276 0.680 20 0 BCADHN Cc1cc(CN2CC[C@H](CO)[C@@H]2C)n(C)n1 ZINC000335900060 178003278 /nfs/dbraw/zinc/00/32/78/178003278.db2.gz QCIGZCPHLLRURL-WDEREUQCSA-N 0 3 223.320 0.931 20 0 BCADHN O=C(C[C@@H]1CSCCN1)N1C[C@@H]2C[C@@H]2C1 ZINC000379538731 398151480 /nfs/dbraw/zinc/15/14/80/398151480.db2.gz KWTQPLXNQJJVSX-KXUCPTDWSA-N 0 3 226.345 0.560 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N[C@@H]1CCSC1 ZINC000379572841 398153215 /nfs/dbraw/zinc/15/32/15/398153215.db2.gz IIBYOOCOPYEPDJ-RITPCOANSA-N 0 3 224.276 0.591 20 0 BCADHN Cc1cc(CNC(=O)Cc2nc[nH]c2C)n(C)n1 ZINC000356028604 178012502 /nfs/dbraw/zinc/01/25/02/178012502.db2.gz IQEAUAIXLANVLT-UHFFFAOYSA-N 0 3 247.302 0.619 20 0 BCADHN C[C@@H](CNC(=O)CN)N1CCc2ccccc21 ZINC000237543193 398155050 /nfs/dbraw/zinc/15/50/50/398155050.db2.gz FPVPVSFXASMPQS-JTQLQIEISA-N 0 3 233.315 0.513 20 0 BCADHN C[C@@H](CCO)N(C)CC[C@H]1CCS(=O)(=O)C1 ZINC000649869527 398155357 /nfs/dbraw/zinc/15/53/57/398155357.db2.gz GGWWEQKEXQSWAM-QWRGUYRKSA-N 0 3 249.376 0.514 20 0 BCADHN C[C@H](NC(=O)C(C)(C)N)C(=O)Nc1ccccc1 ZINC000237540887 398155372 /nfs/dbraw/zinc/15/53/72/398155372.db2.gz INRYHVNAKGGCFR-VIFPVBQESA-N 0 3 249.314 0.867 20 0 BCADHN C[C@@H](CCO)N(C)CCN1CCO[C@H](C)C1 ZINC000649869699 398155675 /nfs/dbraw/zinc/15/56/75/398155675.db2.gz KEOQJSUXALESDY-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN C[C@H](CCO)N(C)CC[C@@H]1CCS(=O)(=O)C1 ZINC000649869525 398155717 /nfs/dbraw/zinc/15/57/17/398155717.db2.gz GGWWEQKEXQSWAM-GHMZBOCLSA-N 0 3 249.376 0.514 20 0 BCADHN Cc1cc(CNC(=O)C(N)C(F)(F)F)on1 ZINC000353171943 178015732 /nfs/dbraw/zinc/01/57/32/178015732.db2.gz BOICYURKRGPWPE-LURJTMIESA-N 0 3 237.181 0.489 20 0 BCADHN CN1CCC[C@H](N2CCC3(CCO3)CC2)C1=O ZINC000580467802 398156258 /nfs/dbraw/zinc/15/62/58/398156258.db2.gz SIOYMFCSPKRGCF-NSHDSACASA-N 0 3 238.331 0.862 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)CCN1CCCCC1 ZINC000649889870 398168641 /nfs/dbraw/zinc/16/86/41/398168641.db2.gz PDUWZDPLGVHOLB-CYBMUJFWSA-N 0 3 242.363 0.744 20 0 BCADHN C[C@@H](C(=O)NCc1ccc2c(c1)CNC2)N(C)C ZINC000649357470 398170308 /nfs/dbraw/zinc/17/03/08/398170308.db2.gz ISWMOVOGUVKXSH-JTQLQIEISA-N 0 3 247.342 0.856 20 0 BCADHN C[C@@H](C(=O)N1CCN[C@H](C)[C@H]1C)N(C)C ZINC000649359680 398171646 /nfs/dbraw/zinc/17/16/46/398171646.db2.gz XZIQPEUJTYWJCJ-BBBLOLIVSA-N 0 3 213.325 0.145 20 0 BCADHN C[C@@H](C(=O)N1CCN[C@@H](C)[C@@H]1C)N(C)C ZINC000649359681 398171666 /nfs/dbraw/zinc/17/16/66/398171666.db2.gz XZIQPEUJTYWJCJ-GUBZILKMSA-N 0 3 213.325 0.145 20 0 BCADHN C[C@@H](C(=O)N1CCN[C@H](C)[C@@H]1C)N(C)C ZINC000649359682 398172070 /nfs/dbraw/zinc/17/20/70/398172070.db2.gz XZIQPEUJTYWJCJ-UTLUCORTSA-N 0 3 213.325 0.145 20 0 BCADHN CSC[C@@H](O)CN(C)CC[C@H](C)O ZINC000187896744 398174000 /nfs/dbraw/zinc/17/40/00/398174000.db2.gz VSTFIXLMEGPAIM-IUCAKERBSA-N 0 3 207.339 0.413 20 0 BCADHN CSC[C@@H](O)CN(C)CC[C@@H](C)O ZINC000187896769 398174027 /nfs/dbraw/zinc/17/40/27/398174027.db2.gz VSTFIXLMEGPAIM-BDAKNGLRSA-N 0 3 207.339 0.413 20 0 BCADHN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1C[C@H](F)CN1 ZINC000424206469 398175379 /nfs/dbraw/zinc/17/53/79/398175379.db2.gz OYBFVCSFBIGRSK-CVPUBMOQSA-N 0 3 212.268 0.601 20 0 BCADHN CCC[C@H](N)C(=O)NCc1nccc(OC)n1 ZINC000424205012 398175417 /nfs/dbraw/zinc/17/54/17/398175417.db2.gz FPICEZZMODYLEV-QMMMGPOBSA-N 0 3 238.291 0.229 20 0 BCADHN CCOC[C@H]1CCN(CC(=O)NC)C1 ZINC000177036813 136216620 /nfs/dbraw/zinc/21/66/20/136216620.db2.gz BVIKOBRRZKKCMD-VIFPVBQESA-N 0 3 200.282 0.091 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)CCn1ccnc1 ZINC000277466198 398175660 /nfs/dbraw/zinc/17/56/60/398175660.db2.gz JGWFZHJFHSVNOR-WDEREUQCSA-N 0 3 236.319 0.482 20 0 BCADHN Cc1cc(C)n2c(CN[C@@H]3CC[C@H]3O)cnc2n1 ZINC000424207202 398176784 /nfs/dbraw/zinc/17/67/84/398176784.db2.gz XEANMFWJNCIWIR-VXGBXAGGSA-N 0 3 246.314 0.959 20 0 BCADHN COC[C@@](C)(O)CNCc1cnn(C(C)C)c1 ZINC000382551417 398183830 /nfs/dbraw/zinc/18/38/30/398183830.db2.gz GDJATJGEDHASCN-LBPRGKRZSA-N 0 3 241.335 0.951 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](C)N1CCCC1)N(C)C ZINC000533123759 398183939 /nfs/dbraw/zinc/18/39/39/398183939.db2.gz RIRGRGVVHTYHJH-RYUDHWBXSA-N 0 3 241.379 0.927 20 0 BCADHN C[C@H](O)C1CCN(CCn2cncn2)CC1 ZINC000309059385 136217376 /nfs/dbraw/zinc/21/73/76/136217376.db2.gz OSSWUAKETLMJMS-JTQLQIEISA-N 0 3 224.308 0.371 20 0 BCADHN O=C1CC[C@@H](CN2CC[C@@]3(CC3(F)F)C2)N1 ZINC000649909859 398181711 /nfs/dbraw/zinc/18/17/11/398181711.db2.gz XHMXZRKNCMCXGA-WCBMZHEXSA-N 0 3 230.258 0.996 20 0 BCADHN C[C@@H](O)CCN1CCN(c2ccncc2)CC1 ZINC000649351918 398163988 /nfs/dbraw/zinc/16/39/88/398163988.db2.gz QSODNGJAMUXEKQ-GFCCVEGCSA-N 0 3 235.331 0.975 20 0 BCADHN COC[C@@H](NC1COCCOC1)C(C)C ZINC000379785688 398166555 /nfs/dbraw/zinc/16/65/55/398166555.db2.gz HSDDTECVKIWUMT-LLVKDONJSA-N 0 3 217.309 0.662 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@@]2(C1)CCCOC2 ZINC000341983884 398186451 /nfs/dbraw/zinc/18/64/51/398186451.db2.gz DBAOGZQBVYOSQC-DGCLKSJQSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@H]([C@@H](C)O)C1 ZINC000576223908 365526872 /nfs/dbraw/zinc/52/68/72/365526872.db2.gz VQJQAWFLYUWESH-MNOVXSKESA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000083884425 398188024 /nfs/dbraw/zinc/18/80/24/398188024.db2.gz OAWOYZATQGMAJE-SNVBAGLBSA-N 0 3 244.298 0.836 20 0 BCADHN CCC1(CC)[C@H](NC(=O)CN)[C@@H](C)[C@@H]1OC ZINC000649381010 398189799 /nfs/dbraw/zinc/18/97/99/398189799.db2.gz KXAHUFVPSDPRNA-IEBDPFPHSA-N 0 3 228.336 0.901 20 0 BCADHN NCC(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000649380287 398190032 /nfs/dbraw/zinc/19/00/32/398190032.db2.gz JRDFDIUIBVKZPR-QWRGUYRKSA-N 0 3 226.320 0.610 20 0 BCADHN CCC1(CC)[C@H](NC(=O)CN)[C@H](C)[C@H]1OC ZINC000649381011 398190059 /nfs/dbraw/zinc/19/00/59/398190059.db2.gz KXAHUFVPSDPRNA-JMJZKYOTSA-N 0 3 228.336 0.901 20 0 BCADHN CC(C)[C@@H](O)CN[C@H](C)c1ccc(=O)[nH]n1 ZINC000336695514 398195979 /nfs/dbraw/zinc/19/59/79/398195979.db2.gz YHEOAXOYNFSNBK-SCZZXKLOSA-N 0 3 225.292 0.850 20 0 BCADHN CN1c2ccc(NC(=O)C3(N)CC3)cc2CC1=O ZINC000258690472 349516635 /nfs/dbraw/zinc/51/66/35/349516635.db2.gz FHXTUMBMGHHCHR-UHFFFAOYSA-N 0 3 245.282 0.635 20 0 BCADHN C[C@H]1OCCN(C(=O)COC2(C)CNC2)[C@@H]1C ZINC000380559479 398200144 /nfs/dbraw/zinc/20/01/44/398200144.db2.gz KQNRFUIIOWYQIB-NXEZZACHSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(N)=O ZINC000336748599 398198561 /nfs/dbraw/zinc/19/85/61/398198561.db2.gz SUDJLRWKIJSCIQ-JLIMGVALSA-N 0 3 224.304 0.407 20 0 BCADHN CC[C@H]1C[C@@H](NCc2cn[nH]n2)CCO1 ZINC000398340863 398200811 /nfs/dbraw/zinc/20/08/11/398200811.db2.gz MXPSZYPVKSSYTF-WPRPVWTQSA-N 0 3 210.281 0.852 20 0 BCADHN O=C(CN1CCNCC1)N(CC(F)F)C1CC1 ZINC000386245277 398200971 /nfs/dbraw/zinc/20/09/71/398200971.db2.gz UKITUKKZPKTUHH-UHFFFAOYSA-N 0 3 247.289 0.148 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000576293472 365556674 /nfs/dbraw/zinc/55/66/74/365556674.db2.gz YGWLHTHXAGVZFY-MVWJERBFSA-N 0 3 240.347 0.914 20 0 BCADHN C[C@H](N[C@H]1CCC[C@]1(C)CO)C(=O)N(C)C ZINC000309521847 136219093 /nfs/dbraw/zinc/21/90/93/136219093.db2.gz CDZFLKVCGSRZSD-JBLDHEPKSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1nn(C)cc1CN[C@H](C)C(C)(C)O ZINC000162662721 538924201 /nfs/dbraw/zinc/92/42/01/538924201.db2.gz OPHSSYFEVHBXIQ-SECBINFHSA-N 0 3 211.309 0.978 20 0 BCADHN Cc1cc(NC(=O)C(C)(C)N)c(=O)n(C)c1 ZINC000336517853 178124117 /nfs/dbraw/zinc/12/41/17/178124117.db2.gz JGZYGTAIBGHDDP-UHFFFAOYSA-N 0 3 223.276 0.370 20 0 BCADHN c1ncn(CCNCc2c[nH]c3nccnc23)n1 ZINC000576273281 365545363 /nfs/dbraw/zinc/54/53/63/365545363.db2.gz OCZLVANCZCYMTB-UHFFFAOYSA-N 0 3 243.274 0.291 20 0 BCADHN CCO[C@@H]1C[C@H](NC(=O)[C@H](N)CC)[C@H]1OC ZINC000576277491 365546552 /nfs/dbraw/zinc/54/65/52/365546552.db2.gz CDXQWIRBFWOKNV-UTINFBMNSA-N 0 3 230.308 0.032 20 0 BCADHN C([C@@H]1CCOC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000338377031 187327091 /nfs/dbraw/zinc/32/70/91/187327091.db2.gz NNUAXSLTCCYCGS-GARJFASQSA-N 0 3 213.277 0.123 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCc1cccnc1 ZINC000382954804 398205959 /nfs/dbraw/zinc/20/59/59/398205959.db2.gz MNGXJJMUTCRJKE-SNVBAGLBSA-N 0 3 233.315 0.881 20 0 BCADHN Cc1cc(NC(=O)CN[C@H](C)[C@H](C)CO)on1 ZINC000274067043 178132521 /nfs/dbraw/zinc/13/25/21/178132521.db2.gz QWZVZCNCXAKVIC-VXNVDRBHSA-N 0 3 241.291 0.528 20 0 BCADHN Cc1cc(NC(=O)C[C@H]2CNCCO2)ccn1 ZINC000092349847 178134244 /nfs/dbraw/zinc/13/42/44/178134244.db2.gz YDXLTLWIFNRYNF-NSHDSACASA-N 0 3 235.287 0.707 20 0 BCADHN O=C(Nc1ccc2c(c1)CNC2)[C@H]1COCCO1 ZINC000386437919 398207389 /nfs/dbraw/zinc/20/73/89/398207389.db2.gz JWAOTRLOJHQBOY-GFCCVEGCSA-N 0 3 248.282 0.644 20 0 BCADHN COCC[C@H](CO)NCc1cnc(OC)s1 ZINC000380986743 398216351 /nfs/dbraw/zinc/21/63/51/398216351.db2.gz DFLSGFOIMOEFMJ-MRVPVSSYSA-N 0 3 246.332 0.639 20 0 BCADHN CC[C@@H](C(N)=O)N(C)[C@@H]1CCCC[C@H]1O ZINC000426226107 398216840 /nfs/dbraw/zinc/21/68/40/398216840.db2.gz GDKRZCGXVHXTFY-IVZWLZJFSA-N 0 3 214.309 0.486 20 0 BCADHN Cc1cc(NC(=O)[C@H]2CCCCN2)c(=O)n(C)c1 ZINC000336298020 178147765 /nfs/dbraw/zinc/14/77/65/178147765.db2.gz VVNCRXHENOVFHC-SNVBAGLBSA-N 0 3 249.314 0.774 20 0 BCADHN CC(C)N(C)C(=O)C(C)S(C)(=O)=O ZINC000120112157 136220916 /nfs/dbraw/zinc/22/09/16/136220916.db2.gz JATJQMOVOQSFDG-SSDOTTSWSA-N 0 3 207.295 0.286 20 0 BCADHN CN(Cc1ccon1)C(=O)[C@@H](N)C1CCC1 ZINC000520806579 398210188 /nfs/dbraw/zinc/21/01/88/398210188.db2.gz WONBOPRKALPDGR-JTQLQIEISA-N 0 3 223.276 0.760 20 0 BCADHN C[C@@H]1CCN(CC(=O)NC2(CCO)CC2)C1 ZINC000576361819 365578937 /nfs/dbraw/zinc/57/89/37/365578937.db2.gz XTYVDRYNXBPZSE-SNVBAGLBSA-N 0 3 226.320 0.359 20 0 BCADHN Cc1cc(NCCN(C)C)n2ncnc2n1 ZINC000035121268 178160222 /nfs/dbraw/zinc/16/02/22/178160222.db2.gz GAKMHQVHRVBWOR-UHFFFAOYSA-N 0 3 220.280 0.406 20 0 BCADHN COc1ccncc1CN[C@@H](C)[C@@H](C)O ZINC000386927961 398223114 /nfs/dbraw/zinc/22/31/14/398223114.db2.gz QSVGMQNCJVRKQF-DTWKUNHWSA-N 0 3 210.277 0.949 20 0 BCADHN CC(C)N1CCN(C(=O)c2cnc[nH]2)CC1 ZINC000263723373 187331765 /nfs/dbraw/zinc/33/17/65/187331765.db2.gz XDNYXGREYDXCBD-UHFFFAOYSA-N 0 3 222.292 0.576 20 0 BCADHN O=C(NC[C@@H]1CCCS1)[C@H]1C[C@H](F)CN1 ZINC000188582452 192029352 /nfs/dbraw/zinc/02/93/52/192029352.db2.gz VUIOBXSEKULBNH-XHNCKOQMSA-N 0 3 232.324 0.698 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)N2CCNC(C)(C)C2)CO1 ZINC000161955419 349520699 /nfs/dbraw/zinc/52/06/99/349520699.db2.gz IXLOGSKJMQVZND-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN CC1(C(N)=O)CN(C[C@H](O)C2CCCCC2)C1 ZINC000521038795 259302362 /nfs/dbraw/zinc/30/23/62/259302362.db2.gz LVSZFXMTEDTIQQ-NSHDSACASA-N 0 3 240.347 0.735 20 0 BCADHN CCN(CCNC(=O)C(C)(C)C(N)=O)C1CC1 ZINC000683480933 488173458 /nfs/dbraw/zinc/17/34/58/488173458.db2.gz PRMRXCVXQHGTIT-UHFFFAOYSA-N 0 3 241.335 0.098 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)Nc1ccccn1 ZINC000342660925 136223485 /nfs/dbraw/zinc/22/34/85/136223485.db2.gz VSAYTLIDOWNOJD-QMMMGPOBSA-N 0 3 237.259 0.301 20 0 BCADHN Cc1cc(=O)[nH]cc1C(=O)NCCN(C)C1CC1 ZINC000331541935 178205675 /nfs/dbraw/zinc/20/56/75/178205675.db2.gz SCEYRXFKWHLHBU-UHFFFAOYSA-N 0 3 249.314 0.920 20 0 BCADHN CCC(CC)CC(=O)NCCN1CC[C@H](O)C1 ZINC000629915599 361770646 /nfs/dbraw/zinc/77/06/46/361770646.db2.gz XDVRBVSQPAQPDH-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)N(Cc1ccn(C)c1)C[C@@H](O)CO ZINC000421406608 192332597 /nfs/dbraw/zinc/33/25/97/192332597.db2.gz HPHUSVZHBRNBEA-GFCCVEGCSA-N 0 3 226.320 0.589 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000381170841 398230280 /nfs/dbraw/zinc/23/02/80/398230280.db2.gz UBTHXKSXMLVEMH-NTSWFWBYSA-N 0 3 226.198 0.123 20 0 BCADHN COCCCN1CCC[C@H](n2ccnn2)C1 ZINC000425508330 398230588 /nfs/dbraw/zinc/23/05/88/398230588.db2.gz NHRFPRPZGOZNQX-NSHDSACASA-N 0 3 224.308 0.952 20 0 BCADHN CCC[C@H](C)CC(=O)NCCN1CC[C@H](O)C1 ZINC000629912599 361767050 /nfs/dbraw/zinc/76/70/50/361767050.db2.gz JPUYMJJBHCFYPK-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1csc(CNC(=O)COC2CNC2)n1 ZINC000430768220 398231713 /nfs/dbraw/zinc/23/17/13/398231713.db2.gz XWBSPDHNHHAPEW-UHFFFAOYSA-N 0 3 241.316 0.056 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](CC)C(=O)OC ZINC000602440467 349526583 /nfs/dbraw/zinc/52/65/83/349526583.db2.gz PGNGOHRKKNUQEZ-SFYZADRCSA-N 0 3 216.281 0.052 20 0 BCADHN CC[C@H]1CCN(CCNS(=O)(=O)CC)C1 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0.757 20 0 BCADHN C[C@@H](CNC(=O)c1cncc([O-])c1)[NH+](C)C ZINC000082650999 398277036 /nfs/dbraw/zinc/27/70/36/398277036.db2.gz XFPINCBERVFRAO-QMMMGPOBSA-N 0 3 223.276 0.467 20 0 BCADHN Cc1noc(CCNC[C@@H](O)COC(C)C)n1 ZINC000231889059 342742010 /nfs/dbraw/zinc/74/20/10/342742010.db2.gz CCPAFDFHDGVLED-SNVBAGLBSA-N 0 3 243.307 0.296 20 0 BCADHN CO[C@@H](C)CN[C@H]1CCCS(=O)(=O)C1 ZINC000167078636 361861030 /nfs/dbraw/zinc/86/10/30/361861030.db2.gz FKRUYUQFARZQFT-IUCAKERBSA-N 0 3 221.322 0.188 20 0 BCADHN COC(=O)[C@@H]1CN(CCc2cnccn2)C[C@H]1C ZINC000402604421 342743121 /nfs/dbraw/zinc/74/31/21/342743121.db2.gz MCZPTAIUYXKKNA-ZYHUDNBSSA-N 0 3 249.314 0.760 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1ccno1 ZINC000231892242 342743341 /nfs/dbraw/zinc/74/33/41/342743341.db2.gz OBBXRIWSDMYNHR-CBAPKCEASA-N 0 3 211.265 0.664 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N2CCOCC2)C1 ZINC000167365137 361863245 /nfs/dbraw/zinc/86/32/45/361863245.db2.gz YZPFKFNRBLXGRM-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN CC[C@@H]1CN(C)CCN1C(=O)/C=C\CN(C)C ZINC000493639550 529384841 /nfs/dbraw/zinc/38/48/41/529384841.db2.gz DMLDZJFGDDUBOP-ZHRWSRJISA-N 0 3 239.363 0.657 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCNC(=O)CC1 ZINC000616359482 342720652 /nfs/dbraw/zinc/72/06/52/342720652.db2.gz AXLROSLWAQTXBL-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN C[C@H]1C[C@H](O)CN1C(=O)CN(C)C1CCC1 ZINC000629984544 361871679 /nfs/dbraw/zinc/87/16/79/361871679.db2.gz LWDXOTBHGBAVBG-ONGXEEELSA-N 0 3 226.320 0.452 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@@H](C)c2cncnc2)C1 ZINC000630007644 361892030 /nfs/dbraw/zinc/89/20/30/361892030.db2.gz KHIZZOMJXPMXBX-CMPLNLGQSA-N 0 3 248.330 0.791 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@H](C)c2cncnc2)C1 ZINC000630007648 361892129 /nfs/dbraw/zinc/89/21/29/361892129.db2.gz KHIZZOMJXPMXBX-PWSUYJOCSA-N 0 3 248.330 0.791 20 0 BCADHN CCOC(=O)C[C@H](C)N(C)CCn1cncn1 ZINC000346977225 398284005 /nfs/dbraw/zinc/28/40/05/398284005.db2.gz WKQFTASFKDSCNC-JTQLQIEISA-N 0 3 240.307 0.552 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CN(C)C1CCC1 ZINC000629991665 361877371 /nfs/dbraw/zinc/87/73/71/361877371.db2.gz GPINVODYWYREFG-JTQLQIEISA-N 0 3 227.352 0.537 20 0 BCADHN Cc1nc(C)c(C(=O)N2CCN3CC[C@H]2C3)[nH]1 ZINC000629996358 361881464 /nfs/dbraw/zinc/88/14/64/361881464.db2.gz STFSIJHIXJVKMG-JTQLQIEISA-N 0 3 234.303 0.557 20 0 BCADHN OC[C@]1(NCc2cnc3ccccn23)CCOC1 ZINC000184184561 538967845 /nfs/dbraw/zinc/96/78/45/538967845.db2.gz NSDIRWSDLMBFKJ-CYBMUJFWSA-N 0 3 247.298 0.575 20 0 BCADHN C/C=C/C[C@H](CO)NCc1cncnc1 ZINC000185821866 538970822 /nfs/dbraw/zinc/97/08/22/538970822.db2.gz ZNVUEUZVEIIYHR-KXMPLOMGSA-N 0 3 207.277 0.893 20 0 BCADHN Cc1cc(CN2C[C@@H](C)[C@H](CO)C2)n(C)n1 ZINC000335614432 136237563 /nfs/dbraw/zinc/23/75/63/136237563.db2.gz ZOLMDAUMUCKLRB-KOLCDFICSA-N 0 3 223.320 0.789 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C(=O)CN(C)C1CCC1 ZINC000630004751 361895544 /nfs/dbraw/zinc/89/55/44/361895544.db2.gz JWBYUCDJEJMGQA-MWLCHTKSSA-N 0 3 226.320 0.452 20 0 BCADHN 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ZINC000148781162 342792599 /nfs/dbraw/zinc/79/25/99/342792599.db2.gz MFNQNIODRSHMBG-UHFFFAOYSA-N 0 3 234.365 0.752 20 0 BCADHN C[C@H](O)CN(C(=O)CN(C)C1CCC1)C1CC1 ZINC000630015659 361903046 /nfs/dbraw/zinc/90/30/46/361903046.db2.gz FPNYACWZOIURNP-JTQLQIEISA-N 0 3 240.347 0.843 20 0 BCADHN CN(C(=O)NC1CCN(C)CC1)[C@@H]1CCOC1 ZINC000106517473 398285835 /nfs/dbraw/zinc/28/58/35/398285835.db2.gz CHJRTZGSIJHXHU-LLVKDONJSA-N 0 3 241.335 0.511 20 0 BCADHN C[C@](O)(C[C@@H](O)CN(CCO)C1CC1)C1CC1 ZINC000630035273 361907256 /nfs/dbraw/zinc/90/72/56/361907256.db2.gz HJXBSKDBRGZAEF-OLZOCXBDSA-N 0 3 243.347 0.355 20 0 BCADHN CN(C[C@H](O)C[C@@](C)(O)C1CC1)[C@@H]1CCOC1 ZINC000630036522 361907289 /nfs/dbraw/zinc/90/72/89/361907289.db2.gz JGOWPODMCYYUOE-JHJVBQTASA-N 0 3 243.347 0.619 20 0 BCADHN CO[C@H]1CCN(C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000630036055 361907799 /nfs/dbraw/zinc/90/77/99/361907799.db2.gz DERBUNYSIXPHKP-FRRDWIJNSA-N 0 3 243.347 0.619 20 0 BCADHN CN(C[C@H](O)C[C@](C)(O)C1CC1)[C@@H]1CCOC1 ZINC000630036523 361907896 /nfs/dbraw/zinc/90/78/96/361907896.db2.gz JGOWPODMCYYUOE-UPJWGTAASA-N 0 3 243.347 0.619 20 0 BCADHN C[C@](O)(C[C@@H](O)CN1CCC[C@H](O)C1)C1CC1 ZINC000630034261 361909425 /nfs/dbraw/zinc/90/94/25/361909425.db2.gz RJGAIFOPZVQPRD-XQQFMLRXSA-N 0 3 243.347 0.355 20 0 BCADHN CCSCCN[C@@H](C)C(=O)N(C)C ZINC000128902453 398290196 /nfs/dbraw/zinc/29/01/96/398290196.db2.gz GFYWSJIYLVVYGE-QMMMGPOBSA-N 0 3 204.339 0.806 20 0 BCADHN C[C@@](O)(C[C@H](O)CN1CCC[C@H](O)C1)C1CC1 ZINC000630042953 361912506 /nfs/dbraw/zinc/91/25/06/361912506.db2.gz RJGAIFOPZVQPRD-RWMBFGLXSA-N 0 3 243.347 0.355 20 0 BCADHN CC[C@@H]1CN(c2nccn3cnnc23)C[C@H](C)N1 ZINC000624700917 342819691 /nfs/dbraw/zinc/81/96/91/342819691.db2.gz XHVFNTGRFJQHFG-VHSXEESVSA-N 0 3 246.318 0.701 20 0 BCADHN Cc1oncc1-c1cnc(N2CCNCC2)nc1 ZINC000630052861 361922666 /nfs/dbraw/zinc/92/26/66/361922666.db2.gz ZKAHGBWOYODQRA-UHFFFAOYSA-N 0 3 245.286 0.850 20 0 BCADHN Cc1cnc(CCNC(CO)CO)c(C)c1 ZINC000401088553 398288970 /nfs/dbraw/zinc/28/89/70/398288970.db2.gz SWAFWEZICUFJAL-UHFFFAOYSA-N 0 3 224.304 0.184 20 0 BCADHN CCO[C@H]1CCCN(C[C@@](C)(O)C(=O)OC)C1 ZINC000227068844 342806364 /nfs/dbraw/zinc/80/63/64/342806364.db2.gz OFIZXDOJGISDDN-CMPLNLGQSA-N 0 3 245.319 0.411 20 0 BCADHN CCO[C@@H]1CCCN(C[C@@](C)(O)C(=O)OC)C1 ZINC000227068837 342806428 /nfs/dbraw/zinc/80/64/28/342806428.db2.gz OFIZXDOJGISDDN-ZYHUDNBSSA-N 0 3 245.319 0.411 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N1CCN(C)CC1 ZINC000336468363 342806603 /nfs/dbraw/zinc/80/66/03/342806603.db2.gz GFOSSECLYOOCPK-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN COCCN(C)CCCNC(=O)c1ccco1 ZINC000041950736 342806893 /nfs/dbraw/zinc/80/68/93/342806893.db2.gz XWMCQCUHJWBDGH-UHFFFAOYSA-N 0 3 240.303 0.978 20 0 BCADHN CCC[C@H](C)N(C)C(=O)CN1CCNCC1 ZINC000036791673 398292641 /nfs/dbraw/zinc/29/26/41/398292641.db2.gz CLMZWMOKUQELHF-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN C[C@@]1(O)CCCN(CCn2cncn2)C1 ZINC000382374093 361924735 /nfs/dbraw/zinc/92/47/35/361924735.db2.gz HQJJSRZFGOXWGI-SNVBAGLBSA-N 0 3 210.281 0.125 20 0 BCADHN CCCNC(=O)CN[C@H]1CN(C)C[C@@H]1C ZINC000380342402 538989372 /nfs/dbraw/zinc/98/93/72/538989372.db2.gz SBGRLHRDBURKTQ-UWVGGRQHSA-N 0 3 213.325 0.052 20 0 BCADHN CCN(C)CCNC(=O)c1cnc(C)cn1 ZINC000066959166 361929090 /nfs/dbraw/zinc/92/90/90/361929090.db2.gz YJCYZOAEEMAWDE-UHFFFAOYSA-N 0 3 222.292 0.467 20 0 BCADHN C/C=C/CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000624817968 342830749 /nfs/dbraw/zinc/83/07/49/342830749.db2.gz JZTASIKBLPNBGN-MJKAUQOVSA-N 0 3 223.320 0.908 20 0 BCADHN CCN(CC)CC(=O)NCCc1cnoc1 ZINC000640714950 361956971 /nfs/dbraw/zinc/95/69/71/361956971.db2.gz NMVQEDGIYGCBMR-UHFFFAOYSA-N 0 3 225.292 0.675 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCNC(C)(C)C1 ZINC000335628205 136241125 /nfs/dbraw/zinc/24/11/25/136241125.db2.gz YAZPHNUMOCVLRK-ZJUUUORDSA-N 0 3 227.352 0.570 20 0 BCADHN C[C@H](NCCCn1cncn1)c1ccnn1C ZINC000381767405 539006762 /nfs/dbraw/zinc/00/67/62/539006762.db2.gz IRDINKWXSYWCPK-JTQLQIEISA-N 0 3 234.307 0.753 20 0 BCADHN C[C@H](NCCCn1cncn1)c1nccn1C ZINC000381769246 539006939 /nfs/dbraw/zinc/00/69/39/539006939.db2.gz JBZPDOVXDLLFJY-JTQLQIEISA-N 0 3 234.307 0.753 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000157714484 342835667 /nfs/dbraw/zinc/83/56/67/342835667.db2.gz MFRXEGSVEZFHKC-UTLUCORTSA-N 0 3 246.376 0.487 20 0 BCADHN CC[C@@]1(NCC(=O)NCC2CC2)CCOC1 ZINC000390516677 539026240 /nfs/dbraw/zinc/02/62/40/539026240.db2.gz DGDNOTYPWHYEEO-GFCCVEGCSA-N 0 3 226.320 0.671 20 0 BCADHN CCn1nccc1CN[C@@H]1CN(C)C[C@H]1C ZINC000390586926 539026399 /nfs/dbraw/zinc/02/63/99/539026399.db2.gz YKFJMCOIFFXCHB-ZYHUDNBSSA-N 0 3 222.336 0.943 20 0 BCADHN CC1(C)CN(C[C@H](O)CN2CCOCC2)C1 ZINC000390805157 539027458 /nfs/dbraw/zinc/02/74/58/539027458.db2.gz YVARFMGRGGBFLV-LLVKDONJSA-N 0 3 228.336 0.021 20 0 BCADHN C[C@H]1CN(CCn2ccccc2=O)C[C@@H]1O ZINC000388095022 539014695 /nfs/dbraw/zinc/01/46/95/539014695.db2.gz VZROPLFOJGQGDK-QWRGUYRKSA-N 0 3 222.288 0.161 20 0 BCADHN C[C@@H]1C[C@H](C)N1CCCS(N)(=O)=O ZINC000388933098 539015515 /nfs/dbraw/zinc/01/55/15/539015515.db2.gz UVRYMUPRPGCLQA-OCAPTIKFSA-N 0 3 206.311 0.148 20 0 BCADHN COC[C@@H](NC1CSC1)[C@@H]1CCCO1 ZINC000389338368 539016377 /nfs/dbraw/zinc/01/63/77/539016377.db2.gz XFEFSCCMGGBVFF-ZJUUUORDSA-N 0 3 217.334 0.885 20 0 BCADHN C[C@@H](CO)CN1CCN(C2CCC2)CC1 ZINC000389590744 539016672 /nfs/dbraw/zinc/01/66/72/539016672.db2.gz OPUKDXHDBKLUAL-LLVKDONJSA-N 0 3 212.337 0.785 20 0 BCADHN CC1(CNC[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000389682982 539017315 /nfs/dbraw/zinc/01/73/15/539017315.db2.gz FSNHDXSDMSXVDA-SECBINFHSA-N 0 3 233.333 0.190 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(CC)CC1 ZINC000011959321 342845013 /nfs/dbraw/zinc/84/50/13/342845013.db2.gz SROXFXQRPDNYOJ-MNOVXSKESA-N 0 3 227.352 0.524 20 0 BCADHN C[C@H](N)C(=O)NCc1ccc2c(c1)OCO2 ZINC000011957453 342845084 /nfs/dbraw/zinc/84/50/84/342845084.db2.gz OMQADXNEAAWCCL-ZETCQYMHSA-N 0 3 222.244 0.379 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCCSCC1 ZINC000042444596 361999739 /nfs/dbraw/zinc/99/97/39/361999739.db2.gz VFODHEOJXLJOKO-VIFPVBQESA-N 0 3 216.350 0.935 20 0 BCADHN CCCN(C)CC(=O)NCCSC ZINC000308382645 346867630 /nfs/dbraw/zinc/86/76/30/346867630.db2.gz VEYUZDOMLOXRFO-UHFFFAOYSA-N 0 3 204.339 0.807 20 0 BCADHN CC[C@H]1[C@H](CO)CCN1CC(=O)N(CC)CC ZINC000385744805 342846308 /nfs/dbraw/zinc/84/63/08/342846308.db2.gz CFHKHSJOTGFUHY-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN O=C(Cc1cccnc1)N[C@H]1CCN(C2CC2)C1 ZINC000348849363 136242315 /nfs/dbraw/zinc/24/23/15/136242315.db2.gz NZHKKYMNLAJVIA-LBPRGKRZSA-N 0 3 245.326 0.977 20 0 BCADHN CC[C@@H](C)N(C)C(=O)CN1CCNCC1 ZINC000037110776 398301403 /nfs/dbraw/zinc/30/14/03/398301403.db2.gz ZQHYPVYLVRQNPL-SNVBAGLBSA-N 0 3 213.325 0.149 20 0 BCADHN C[C@H](Cc1cnccn1)N[C@@H](C)C[S@](C)=O ZINC000602607922 349631065 /nfs/dbraw/zinc/63/10/65/349631065.db2.gz KXNZCFLXWXINOO-LSYCYVAJSA-N 0 3 241.360 0.764 20 0 BCADHN O[C@H]1CCN(CCNCc2ccccn2)C1 ZINC000623836086 342844093 /nfs/dbraw/zinc/84/40/93/342844093.db2.gz KSYXUPAQXHPVMP-LBPRGKRZSA-N 0 3 221.304 0.238 20 0 BCADHN COC[C@](C)(CCO)[NH2+]Cc1ncccc1[O-] ZINC000519476882 398305118 /nfs/dbraw/zinc/30/51/18/398305118.db2.gz DYWIAZKVACZLID-LBPRGKRZSA-N 0 3 240.303 0.664 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000402105647 349631970 /nfs/dbraw/zinc/63/19/70/349631970.db2.gz VZQQCFVHPOALHR-UTLUCORTSA-N 0 3 214.309 0.653 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNCc1cnnn1CC ZINC000417925016 398306477 /nfs/dbraw/zinc/30/64/77/398306477.db2.gz XWGGHNSSMFIERS-KOLCDFICSA-N 0 3 226.324 0.795 20 0 BCADHN CC(C)(C)NC(=O)CCNCc1cncnc1 ZINC000134591256 342871400 /nfs/dbraw/zinc/87/14/00/342871400.db2.gz XLXQGUBPDZWJDM-UHFFFAOYSA-N 0 3 236.319 0.871 20 0 BCADHN C[C@H](Cn1cccn1)NCc1cn[nH]c1 ZINC000308983749 342878916 /nfs/dbraw/zinc/87/89/16/342878916.db2.gz JADNHGJSZGSUQJ-SECBINFHSA-N 0 3 205.265 0.785 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1C[C@H](C)O[C@H]1C ZINC000583993986 342856310 /nfs/dbraw/zinc/85/63/10/342856310.db2.gz HEHNXTXVJJGXEL-FBDQPXRJSA-N 0 3 215.293 0.556 20 0 BCADHN CCCCOC[C@H](O)CNC[C@@H](O)C(F)F ZINC000233000439 342894349 /nfs/dbraw/zinc/89/43/49/342894349.db2.gz OSURPIJVFSQMRI-RKDXNWHRSA-N 0 3 241.278 0.380 20 0 BCADHN CC(C)NCC(=O)NCCCOCC1CC1 ZINC000037395633 398316942 /nfs/dbraw/zinc/31/69/42/398316942.db2.gz YVRKRXFPUDLIFL-UHFFFAOYSA-N 0 3 228.336 0.917 20 0 BCADHN CCO[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000076405667 342897072 /nfs/dbraw/zinc/89/70/72/342897072.db2.gz GHEHCGFAEQHGTD-CYBMUJFWSA-N 0 3 242.363 0.820 20 0 BCADHN C[C@@H](O)C1CCN(CCc2cn(C)nn2)CC1 ZINC000625160161 342898186 /nfs/dbraw/zinc/89/81/86/342898186.db2.gz IHWPBJJVTLYCSO-SNVBAGLBSA-N 0 3 238.335 0.450 20 0 BCADHN C[C@H](O)C1CCN(CCc2cn(C)nn2)CC1 ZINC000625160157 342898298 /nfs/dbraw/zinc/89/82/98/342898298.db2.gz IHWPBJJVTLYCSO-JTQLQIEISA-N 0 3 238.335 0.450 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CSCN1)N(C)C1CC1 ZINC000167342219 136245608 /nfs/dbraw/zinc/24/56/08/136245608.db2.gz QZCVIDKSLRKFKO-WPRPVWTQSA-N 0 3 243.376 0.248 20 0 BCADHN CC[C@H]1CO[C@H](C)CN1C(=O)CNC ZINC000035141398 342883786 /nfs/dbraw/zinc/88/37/86/342883786.db2.gz OGYQPQUCGJEQQL-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN CCC[C@H](C)N(C)c1nc(N)nc(N)n1 ZINC000623854672 398313136 /nfs/dbraw/zinc/31/31/36/398313136.db2.gz GGWQYENQHNNRJM-LURJTMIESA-N 0 3 210.285 0.322 20 0 BCADHN C[C@H](O)CN[C@H]1CCCc2c1cnn2C ZINC000035601397 342889851 /nfs/dbraw/zinc/88/98/51/342889851.db2.gz ATHLHCMRHKGDJW-WPRPVWTQSA-N 0 3 209.293 0.768 20 0 BCADHN CC(C)C[C@H](C)NC(=O)CN1CCNCC1 ZINC000037265525 398315110 /nfs/dbraw/zinc/31/51/10/398315110.db2.gz VPEAFJGOBDHQTN-NSHDSACASA-N 0 3 227.352 0.442 20 0 BCADHN CCOC[C@H]1CCN(CCc2cn(C)nn2)C1 ZINC000625207436 342912038 /nfs/dbraw/zinc/91/20/38/342912038.db2.gz KASXZKVLRLNGCF-NSHDSACASA-N 0 3 238.335 0.716 20 0 BCADHN COC[C@H]1CCN(CC(=O)N(C)C)C1 ZINC000351514792 136246563 /nfs/dbraw/zinc/24/65/63/136246563.db2.gz AGJDKQUEEHGCQA-VIFPVBQESA-N 0 3 200.282 0.043 20 0 BCADHN CC[C@H]1CN(C(=O)CNC(C)C)CCO1 ZINC000037477171 488186409 /nfs/dbraw/zinc/18/64/09/488186409.db2.gz GBGFJULFASGSMW-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN CCC[C@H](N)C(=O)NCc1ccncc1 ZINC000036873060 342912779 /nfs/dbraw/zinc/91/27/79/342912779.db2.gz CQYRPHLNCCWSBA-JTQLQIEISA-N 0 3 207.277 0.825 20 0 BCADHN CCC[C@H](N)C(=O)N1CCOC[C@@H]1CC ZINC000036873458 342913303 /nfs/dbraw/zinc/91/33/03/342913303.db2.gz XDCGMIWSMJUKML-UWVGGRQHSA-N 0 3 214.309 0.751 20 0 BCADHN CCC[C@H](N)C(=O)N1CCOC[C@H]1CC ZINC000036873460 342913338 /nfs/dbraw/zinc/91/33/38/342913338.db2.gz XDCGMIWSMJUKML-ZJUUUORDSA-N 0 3 214.309 0.751 20 0 BCADHN COCC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000167453232 136246744 /nfs/dbraw/zinc/24/67/44/136246744.db2.gz QVLWFFTVTHCHKU-DCAQKATOSA-N 0 3 228.336 0.916 20 0 BCADHN CN(Cc1ccc(C(N)=O)cc1)C(C)(C)CO ZINC000134843561 342901142 /nfs/dbraw/zinc/90/11/42/342901142.db2.gz OJFJXUWJHBAZNG-UHFFFAOYSA-N 0 3 236.315 0.988 20 0 BCADHN CNCC(=O)NC[C@@H](C)c1nccs1 ZINC000234373864 342921688 /nfs/dbraw/zinc/92/16/88/342921688.db2.gz QCGBFAGTTXPUPW-SSDOTTSWSA-N 0 3 213.306 0.582 20 0 BCADHN CNCC(=O)NCC(C)(C)CCOC ZINC000234372897 342921804 /nfs/dbraw/zinc/92/18/04/342921804.db2.gz QZBNDAORCMPQJM-UHFFFAOYSA-N 0 3 202.298 0.385 20 0 BCADHN CC[C@@H](O)CCN[C@@H](C)CS(C)(=O)=O ZINC000162312905 349637980 /nfs/dbraw/zinc/63/79/80/349637980.db2.gz IHDVRHMJILUFON-DTWKUNHWSA-N 0 3 223.338 0.170 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@@H](COC)C1 ZINC000234421126 342924862 /nfs/dbraw/zinc/92/48/62/342924862.db2.gz QMFXESFLMCYDRK-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN COC(=O)CCN1CCC(OC)CC1 ZINC000037250393 342925323 /nfs/dbraw/zinc/92/53/23/342925323.db2.gz MRQQFGUGABAYRN-UHFFFAOYSA-N 0 3 201.266 0.660 20 0 BCADHN COC(=O)[C@H](C)N1CCCN(C2CC2)CC1 ZINC000172810898 536627572 /nfs/dbraw/zinc/62/75/72/536627572.db2.gz LKFFMBAJBZZSGR-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@]1(O)CCN(CCOC2CCOCC2)C1 ZINC000625212908 342915125 /nfs/dbraw/zinc/91/51/25/342915125.db2.gz OTDFAKRYIPVOJV-GFCCVEGCSA-N 0 3 229.320 0.639 20 0 BCADHN Cc1c([C@H](C)NC(=O)[C@H](C)N)cnn1C ZINC000037001428 342915462 /nfs/dbraw/zinc/91/54/62/342915462.db2.gz IHVZFJFAENIMSH-BQBZGAKWSA-N 0 3 210.281 0.253 20 0 BCADHN CC(C)C[C@@H](N)C(=O)Nc1ccn(C)n1 ZINC000037471766 398324569 /nfs/dbraw/zinc/32/45/69/398324569.db2.gz ZLBDGGFEGXUPNA-MRVPVSSYSA-N 0 3 210.281 0.732 20 0 BCADHN CCc1cnc(CNC(=O)[C@H](C)NC)s1 ZINC000234143675 342917206 /nfs/dbraw/zinc/91/72/06/342917206.db2.gz BCAGERLMHVBRGL-ZETCQYMHSA-N 0 3 227.333 0.930 20 0 BCADHN COC[C@@H](C)CN1CC[C@@H](CS(C)(=O)=O)C1 ZINC000562386447 323018915 /nfs/dbraw/zinc/01/89/15/323018915.db2.gz HUOVBBFDADGASA-WDEREUQCSA-N 0 3 249.376 0.635 20 0 BCADHN NS(=O)(=O)c1ccc(CNC2CC2)cc1 ZINC000037473255 398325287 /nfs/dbraw/zinc/32/52/87/398325287.db2.gz JQRGBXURQBRGOE-UHFFFAOYSA-N 0 3 226.301 0.586 20 0 BCADHN COC(C)(C)CN(C)CCc1cn(C)nn1 ZINC000625224128 342920813 /nfs/dbraw/zinc/92/08/13/342920813.db2.gz FKRJEVVDWBMIMX-UHFFFAOYSA-N 0 3 226.324 0.714 20 0 BCADHN CCN(CC)CCN(C)[C@@H]1CCCCNC1=O ZINC000119620530 398326820 /nfs/dbraw/zinc/32/68/20/398326820.db2.gz PTOBPOKLAWIDHB-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CN1CCC(NC(=O)Nc2nncs2)CC1 ZINC000043130306 342931829 /nfs/dbraw/zinc/93/18/29/342931829.db2.gz VVMHDUXMIHUNKN-UHFFFAOYSA-N 0 3 241.320 0.754 20 0 BCADHN CC[C@@H](N)C(=O)N1C2CCC1(C(=O)OC)CC2 ZINC000602599937 349646122 /nfs/dbraw/zinc/64/61/22/349646122.db2.gz CVZAZLBOZJQISZ-NBBOBHDQSA-N 0 3 240.303 0.420 20 0 BCADHN COC1CC(C(=O)NC[C@@H]2CCCN2C)C1 ZINC000625567897 344010354 /nfs/dbraw/zinc/01/03/54/344010354.db2.gz ZBWPYUGXJGTBDE-YVNMAJEFSA-N 0 3 226.320 0.622 20 0 BCADHN CCSCCCNCc1cnc(N)nc1N ZINC000602649856 349658782 /nfs/dbraw/zinc/65/87/82/349658782.db2.gz BEGZZYZXQZEPDO-UHFFFAOYSA-N 0 3 241.364 0.535 20 0 BCADHN CC[C@H](N)C(=O)NCC1(CCO)CCCC1 ZINC000491148470 529441094 /nfs/dbraw/zinc/44/10/94/529441094.db2.gz YDLGZPQHADTPSF-JTQLQIEISA-N 0 3 228.336 0.783 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccn(C)n1 ZINC000037471757 342935623 /nfs/dbraw/zinc/93/56/23/342935623.db2.gz ZQZVDXUSDMJWLU-APPZFPTMSA-N 0 3 210.281 0.732 20 0 BCADHN Cc1[nH]c(C)c2c1cnn(CCN(C)C)c2=O ZINC000634589641 342936680 /nfs/dbraw/zinc/93/66/80/342936680.db2.gz DEBPUOQUGMFAOB-UHFFFAOYSA-N 0 3 234.303 0.903 20 0 BCADHN CC[C@H](NC(=O)/C=C/CN(C)C)C(C)(C)O ZINC000493717185 529456477 /nfs/dbraw/zinc/45/64/77/529456477.db2.gz FKMLGOILSOAJED-JARNTUPDSA-N 0 3 228.336 0.770 20 0 BCADHN CCC[C@H](CN[C@@H](C)CS(C)(=O)=O)OC ZINC000356347770 398338768 /nfs/dbraw/zinc/33/87/68/398338768.db2.gz ZSRNFWKWBSMOOF-VHSXEESVSA-N 0 3 237.365 0.824 20 0 BCADHN CCC[C@H](CN[C@H](C)CS(C)(=O)=O)OC ZINC000356347767 398338871 /nfs/dbraw/zinc/33/88/71/398338871.db2.gz ZSRNFWKWBSMOOF-NXEZZACHSA-N 0 3 237.365 0.824 20 0 BCADHN C[C@H](F)CCN(C)[C@@]1(CO)CCOC1 ZINC000351728827 136250030 /nfs/dbraw/zinc/25/00/30/136250030.db2.gz ASDNKLVSBAZOTC-VHSXEESVSA-N 0 3 205.273 0.818 20 0 BCADHN COCCCCN1CCSC[C@@H]1CO ZINC000351729102 136250131 /nfs/dbraw/zinc/25/01/31/136250131.db2.gz DCDJGKUVBQTOCP-JTQLQIEISA-N 0 3 219.350 0.823 20 0 BCADHN CN(CCO)CCn1cc(Br)cn1 ZINC000111201757 398332073 /nfs/dbraw/zinc/33/20/73/398332073.db2.gz FMHAADJSJDJTQY-UHFFFAOYSA-N 0 3 248.124 0.570 20 0 BCADHN CC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)OC ZINC000152706064 398333248 /nfs/dbraw/zinc/33/32/48/398333248.db2.gz KRWJNHSOSFPPQT-YUMQZZPRSA-N 0 3 248.348 0.135 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCCOC ZINC000037480546 342937698 /nfs/dbraw/zinc/93/76/98/342937698.db2.gz AVXLWRVVPPCZHS-SECBINFHSA-N 0 3 202.298 0.657 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCN(C)CC1 ZINC000037481151 342938133 /nfs/dbraw/zinc/93/81/33/342938133.db2.gz LIUNWLSYWXZBJV-NSHDSACASA-N 0 3 213.325 0.278 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000037820134 398334633 /nfs/dbraw/zinc/33/46/33/398334633.db2.gz IMSUHHRKQOCSNF-VHSXEESVSA-N 0 3 236.319 0.853 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000037820102 398334639 /nfs/dbraw/zinc/33/46/39/398334639.db2.gz CRAPQGJSLXGRJW-BDAKNGLRSA-N 0 3 222.292 0.463 20 0 BCADHN CCN(C[C@@H]1CCOC1)C(=O)[C@H](N)C(C)C ZINC000037827194 398334761 /nfs/dbraw/zinc/33/47/61/398334761.db2.gz KIUPOXOOLHNNDZ-WDEREUQCSA-N 0 3 228.336 0.855 20 0 BCADHN C[C@@H](F)CCN1CC[C@H](S(N)(=O)=O)C1 ZINC000351751701 136251418 /nfs/dbraw/zinc/25/14/18/136251418.db2.gz CVWLZAAXQVQPFS-SFYZADRCSA-N 0 3 224.301 0.097 20 0 BCADHN CCOC(=O)c1ccc(CN[C@H]2C[C@@H](O)C2)[nH]1 ZINC000602683417 349675161 /nfs/dbraw/zinc/67/51/61/349675161.db2.gz ZJCHTUUZBKLRBB-AOOOYVTPSA-N 0 3 238.287 0.804 20 0 BCADHN CC[C@@H]1[C@@H](CO)CCN1C[C@@H]1CN(C)C(=O)O1 ZINC000496922378 529481428 /nfs/dbraw/zinc/48/14/28/529481428.db2.gz DMURALQHGSQAIG-OUAUKWLOSA-N 0 3 242.319 0.530 20 0 BCADHN COCCN1CCC[C@@H](N2CCOCC2)C1 ZINC000562509693 323022262 /nfs/dbraw/zinc/02/22/62/323022262.db2.gz KDBJUWHXFQPEAP-GFCCVEGCSA-N 0 3 228.336 0.429 20 0 BCADHN CC[C@@H]1[C@H](CO)CCN1C[C@H]1CN(C)C(=O)O1 ZINC000496922377 529485948 /nfs/dbraw/zinc/48/59/48/529485948.db2.gz DMURALQHGSQAIG-HBNTYKKESA-N 0 3 242.319 0.530 20 0 BCADHN COC(=O)CNC(=O)CN1CC[C@H](C)[C@@H]1C ZINC000247388449 398340699 /nfs/dbraw/zinc/34/06/99/398340699.db2.gz VMPLDBLYWQYBSF-IUCAKERBSA-N 0 3 228.292 0.006 20 0 BCADHN COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1CCCN1C ZINC000171191648 398343003 /nfs/dbraw/zinc/34/30/03/398343003.db2.gz WIWMOJAZAKVVGW-BBBLOLIVSA-N 0 3 240.303 0.006 20 0 BCADHN CN(CCCNC(=O)CN)c1ccccc1 ZINC000019472146 342949072 /nfs/dbraw/zinc/94/90/72/342949072.db2.gz JISFHNULFMEMEU-UHFFFAOYSA-N 0 3 221.304 0.588 20 0 BCADHN C[C@H](C(N)=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000306044802 342950612 /nfs/dbraw/zinc/95/06/12/342950612.db2.gz QTFRVQDZQIUOFZ-ADEWGFFLSA-N 0 3 233.315 0.287 20 0 BCADHN COc1ccc(CCNC(=O)[C@@H](C)N)cc1 ZINC000019517778 342950643 /nfs/dbraw/zinc/95/06/43/342950643.db2.gz CTQUCHXIYMFHNP-SECBINFHSA-N 0 3 222.288 0.701 20 0 BCADHN COC(=O)CN1CCNC[C@@H]1c1ccccc1 ZINC000313360338 259333859 /nfs/dbraw/zinc/33/38/59/259333859.db2.gz KUEKBFFNJMXYRA-GFCCVEGCSA-N 0 3 234.299 0.806 20 0 BCADHN COC[C@H](C)CN1CCC[C@@H]1C(N)=O ZINC000189541889 346897849 /nfs/dbraw/zinc/89/78/49/346897849.db2.gz MSUDLVWOAWQKSU-RKDXNWHRSA-N 0 3 200.282 0.219 20 0 BCADHN Cc1ncc(CNCCOCCO)s1 ZINC000037797124 342954218 /nfs/dbraw/zinc/95/42/18/342954218.db2.gz NZAJXATWUJTOOB-UHFFFAOYSA-N 0 3 216.306 0.550 20 0 BCADHN CC1CC(NCC(=O)NCC(F)F)C1 ZINC000308679730 346898136 /nfs/dbraw/zinc/89/81/36/346898136.db2.gz XIDPNWCFKBXIHP-UHFFFAOYSA-N 0 3 206.236 0.756 20 0 BCADHN C[C@H](O)CN1CCN(CC[C@H](C)F)CC1 ZINC000351817463 136255136 /nfs/dbraw/zinc/25/51/36/136255136.db2.gz ATGVECCEEXTRDB-QWRGUYRKSA-N 0 3 218.316 0.733 20 0 BCADHN CNC(=O)c1cccc(CN2C[C@H](C)[C@H](O)C2)c1 ZINC000351778146 136253579 /nfs/dbraw/zinc/25/35/79/136253579.db2.gz HKAIYGIESGLVKA-GXFFZTMASA-N 0 3 248.326 0.859 20 0 BCADHN C[C@@H](O)CN1CCN(CC[C@H](C)F)CC1 ZINC000351817465 136255274 /nfs/dbraw/zinc/25/52/74/136255274.db2.gz ATGVECCEEXTRDB-WDEREUQCSA-N 0 3 218.316 0.733 20 0 BCADHN COC(=O)C1(C)CN(C[C@@]2(OC)CCOC2)C1 ZINC000602692390 349688998 /nfs/dbraw/zinc/68/89/98/349688998.db2.gz MXJBHMBCQLPDBI-LBPRGKRZSA-N 0 3 243.303 0.287 20 0 BCADHN COC(=O)C1(C)CN(C[C@]2(OC)CCOC2)C1 ZINC000602692389 349689253 /nfs/dbraw/zinc/68/92/53/349689253.db2.gz MXJBHMBCQLPDBI-GFCCVEGCSA-N 0 3 243.303 0.287 20 0 BCADHN CCOCCNC(=O)N(C)CCN(C)C ZINC000176194310 346906994 /nfs/dbraw/zinc/90/69/94/346906994.db2.gz NRALQWVCGIRQJH-UHFFFAOYSA-N 0 3 217.313 0.226 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@@H](C)[C@@H]1CCCO1 ZINC000602712010 349703974 /nfs/dbraw/zinc/70/39/74/349703974.db2.gz WMLQAVIRXYSGIN-XWLWVQCSSA-N 0 3 243.303 0.474 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H](C)[C@H]1CCCO1 ZINC000602712006 349704250 /nfs/dbraw/zinc/70/42/50/349704250.db2.gz WMLQAVIRXYSGIN-LMLFDSFASA-N 0 3 243.303 0.474 20 0 BCADHN CN(C)CC(=O)N1CCCC[C@H]1CN(C)C ZINC000176076294 346905241 /nfs/dbraw/zinc/90/52/41/346905241.db2.gz QGTTWILBWCLMIH-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN CC(C)N1CCN(CCC(=O)N(C)C)CC1 ZINC000353861886 187209740 /nfs/dbraw/zinc/20/97/40/187209740.db2.gz AYBJTLLCKQRYOB-UHFFFAOYSA-N 0 3 227.352 0.491 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000351848030 136256979 /nfs/dbraw/zinc/25/69/79/136256979.db2.gz AGHILNTWGGEIKP-NXEZZACHSA-N 0 3 214.309 0.166 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000351848031 136257130 /nfs/dbraw/zinc/25/71/30/136257130.db2.gz AGHILNTWGGEIKP-UWVGGRQHSA-N 0 3 214.309 0.166 20 0 BCADHN COC[C@H](C)NCc1cccc(C(N)=O)c1 ZINC000020042065 342967019 /nfs/dbraw/zinc/96/70/19/342967019.db2.gz RLTAKRVIDGNTDB-VIFPVBQESA-N 0 3 222.288 0.910 20 0 BCADHN CC[C@@]1(O)CCN(C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496528056 529574397 /nfs/dbraw/zinc/57/43/97/529574397.db2.gz PRRXSUUHJZUJBJ-GXSJLCMTSA-N 0 3 228.292 0.284 20 0 BCADHN C[C@@H]1OCCN(CC[C@H]2CCNC2=O)[C@H]1C ZINC000516935442 259336867 /nfs/dbraw/zinc/33/68/67/259336867.db2.gz YTOVIDFQBTUYDW-GARJFASQSA-N 0 3 226.320 0.622 20 0 BCADHN COC(=O)C(C)(C)CCNC1(C)COC1 ZINC000602738664 349708735 /nfs/dbraw/zinc/70/87/35/349708735.db2.gz HSJNHAGKXMNLFT-UHFFFAOYSA-N 0 3 215.293 0.954 20 0 BCADHN COC(=O)CNC(=O)CNC1CC(C)(C)C1 ZINC000602745800 349710899 /nfs/dbraw/zinc/71/08/99/349710899.db2.gz AQIORIBQYLHLQM-UHFFFAOYSA-N 0 3 228.292 0.054 20 0 BCADHN Cc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2)cc1C ZINC000020434458 342985088 /nfs/dbraw/zinc/98/50/88/342985088.db2.gz JXOIFWYROAZYQN-VXGBXAGGSA-N 0 3 234.299 0.965 20 0 BCADHN CS[C@H]1CC[C@H]1N[C@@H]1COC[C@@H]1O ZINC000602726769 349715769 /nfs/dbraw/zinc/71/57/69/349715769.db2.gz ZAQAGLFXOPVXKW-HXFLIBJXSA-N 0 3 203.307 0.230 20 0 BCADHN Cc1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2)c1 ZINC000020471924 342986388 /nfs/dbraw/zinc/98/63/88/342986388.db2.gz YTYXIBAKKKSRTE-LDYMZIIASA-N 0 3 238.262 0.795 20 0 BCADHN CC(C)[C@H](C(=O)N1CC(CO)C1)N(C)C ZINC000357757344 187214688 /nfs/dbraw/zinc/21/46/88/187214688.db2.gz QBKFMLXEIKVWKP-SNVBAGLBSA-N 0 3 214.309 0.023 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)N1CCO[C@H]2C[C@H]21 ZINC000624578079 344021875 /nfs/dbraw/zinc/02/18/75/344021875.db2.gz PQUPGISSJWIWFN-MXWKQRLJSA-N 0 3 239.319 0.263 20 0 BCADHN CC(C)N(C[C@@H](C)O)C(=O)N[C@@H](C)CN(C)C ZINC000358502778 187215116 /nfs/dbraw/zinc/21/51/16/187215116.db2.gz PLPIWMJJAWQPFY-WDEREUQCSA-N 0 3 245.367 0.737 20 0 BCADHN COC(=O)CC1CC(NCc2ncc[nH]2)C1 ZINC000602732913 349718963 /nfs/dbraw/zinc/71/89/63/349718963.db2.gz USQPYKGBWMYYLN-UHFFFAOYSA-N 0 3 223.276 0.841 20 0 BCADHN CN(C(=O)[C@@H](N)C(C)(C)C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638696468 352534530 /nfs/dbraw/zinc/53/45/30/352534530.db2.gz CGIAIALVDJWBNF-HRDYMLBCSA-N 0 3 241.335 0.082 20 0 BCADHN COC(=O)[C@@H](C)NC1CCN(C)CC1 ZINC000042303939 342998285 /nfs/dbraw/zinc/99/82/85/342998285.db2.gz REZDUNKIUNLYOE-MRVPVSSYSA-N 0 3 200.282 0.232 20 0 BCADHN CC(C)COC[C@H](O)CN[C@@H](C)C(=O)N(C)C ZINC000042570511 342999999 /nfs/dbraw/zinc/99/99/99/342999999.db2.gz QCPCZWVNZPSSRV-WDEREUQCSA-N 0 3 246.351 0.086 20 0 BCADHN O[C@@H]1CCN([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000272047198 187336497 /nfs/dbraw/zinc/33/64/97/187336497.db2.gz YWGGOAPXCLBFOK-WXHSDQCUSA-N 0 3 219.284 0.711 20 0 BCADHN CC(C)[C@](C)(NC[C@@H]1CCCO1)C(N)=O ZINC000037942908 343014504 /nfs/dbraw/zinc/01/45/04/343014504.db2.gz BDJWNXCTGGUTBP-ONGXEEELSA-N 0 3 214.309 0.655 20 0 BCADHN CCN(C#N)CCN[C@H]1CCC[C@@H]1C(=O)NC ZINC000602820349 349760581 /nfs/dbraw/zinc/76/05/81/349760581.db2.gz JTFVNMBQJLYLGX-QWRGUYRKSA-N 0 3 238.335 0.294 20 0 BCADHN CN(CC(=O)Nc1ccccc1)C(=O)[C@@H]1C[C@@H]1N ZINC000050462296 343022344 /nfs/dbraw/zinc/02/23/44/343022344.db2.gz MVRPSOFOZQBPIY-MNOVXSKESA-N 0 3 247.298 0.431 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N(Cc1ccccn1)C1CC1 ZINC000050461731 343022369 /nfs/dbraw/zinc/02/23/69/343022369.db2.gz APCGRXMTHYCKCU-NWDGAFQWSA-N 0 3 231.299 0.920 20 0 BCADHN COCCN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1N ZINC000050463374 343022486 /nfs/dbraw/zinc/02/24/86/343022486.db2.gz LAEARPVWOUGULG-NEPJUHHUSA-N 0 3 249.314 0.404 20 0 BCADHN c1cnc(N2CCN(CC3CCC3)CC2)nn1 ZINC000625637555 344023195 /nfs/dbraw/zinc/02/31/95/344023195.db2.gz ATKLSWVNVMCCRI-UHFFFAOYSA-N 0 3 233.319 0.794 20 0 BCADHN CCN(C#N)CCN1CC[C@]2(CCOC2)C1 ZINC000602787075 349750370 /nfs/dbraw/zinc/75/03/70/349750370.db2.gz GYGIHWOGNAKFMI-LBPRGKRZSA-N 0 3 223.320 0.902 20 0 BCADHN Cn1cccc1C(=O)C(=O)NC[C@H]1CCN(C)C1 ZINC000351875244 136260951 /nfs/dbraw/zinc/26/09/51/136260951.db2.gz IVJLFPMFWFILTK-SNVBAGLBSA-N 0 3 249.314 0.276 20 0 BCADHN CCN(C#N)CCN[C@H]1CCCC[C@@H]1C(N)=O ZINC000602808166 349753729 /nfs/dbraw/zinc/75/37/29/349753729.db2.gz CVAOODDVOJSCQT-QWRGUYRKSA-N 0 3 238.335 0.423 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc[nH]1 ZINC000067864153 349754273 /nfs/dbraw/zinc/75/42/73/349754273.db2.gz JNCRVSKHBBANKL-SECBINFHSA-N 0 3 219.288 0.981 20 0 BCADHN CCN(C#N)CCN(C)CC1(O)CCC1 ZINC000602809873 349754682 /nfs/dbraw/zinc/75/46/82/349754682.db2.gz RPACJKUWZSVJCV-UHFFFAOYSA-N 0 3 211.309 0.636 20 0 BCADHN COC(=O)c1[nH]c(C)cc1NC(=O)[C@H](C)N ZINC000159220342 349755900 /nfs/dbraw/zinc/75/59/00/349755900.db2.gz JNYJYHJMMBQKSD-LURJTMIESA-N 0 3 225.248 0.395 20 0 BCADHN CCOC(=O)[C@@H](C)[C@H](C)NCCN(C#N)CC ZINC000602811991 349756005 /nfs/dbraw/zinc/75/60/05/349756005.db2.gz RFEXKNMKOBEFBE-QWRGUYRKSA-N 0 3 241.335 0.967 20 0 BCADHN CC(C)CO[C@@H]1CCN([C@@H]2COC[C@H]2O)C1 ZINC000361318280 187218422 /nfs/dbraw/zinc/21/84/22/187218422.db2.gz JSGGEYNQTKARDJ-IJLUTSLNSA-N 0 3 229.320 0.493 20 0 BCADHN CC(C)N(C)CC(=O)NCC(=O)OC(C)(C)C ZINC000115462619 187221388 /nfs/dbraw/zinc/22/13/88/187221388.db2.gz JYLHSSPRNVJZBZ-UHFFFAOYSA-N 0 3 244.335 0.785 20 0 BCADHN CC(C)[C@@H](O)CN1CCC[C@]2(CNC(=O)O2)C1 ZINC000367924036 187221602 /nfs/dbraw/zinc/22/16/02/187221602.db2.gz HYJBDUFLGNEQSF-JQWIXIFHSA-N 0 3 242.319 0.578 20 0 BCADHN COC(=O)[C@@H]1CCCC[C@@H]1NCC(C)=O ZINC000602841515 349779236 /nfs/dbraw/zinc/77/92/36/349779236.db2.gz SQSACKSSFCXXNL-ZJUUUORDSA-N 0 3 213.277 0.897 20 0 BCADHN CC(C)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000121164038 187223807 /nfs/dbraw/zinc/22/38/07/187223807.db2.gz ZSVLRJALUKTRIU-LBPRGKRZSA-N 0 3 239.363 0.633 20 0 BCADHN CCN(C#N)CCN[C@@H]1CCC[C@H]1OC ZINC000602842643 349780195 /nfs/dbraw/zinc/78/01/95/349780195.db2.gz ZKJLKCLEFFLCRJ-GHMZBOCLSA-N 0 3 211.309 0.946 20 0 BCADHN COC(=O)CN1CCCN(c2ccncc2)CC1 ZINC000602847796 349782715 /nfs/dbraw/zinc/78/27/15/349782715.db2.gz WHLWYUSLXCRSPZ-UHFFFAOYSA-N 0 3 249.314 0.767 20 0 BCADHN C[C@@H]1C[C@H](Nc2nnnn2C)CN1C1CC1 ZINC000309517889 259343237 /nfs/dbraw/zinc/34/32/37/259343237.db2.gz ZESSLYIVPWSFEH-SFYZADRCSA-N 0 3 222.296 0.247 20 0 BCADHN CCN(C#N)CCN1CCC[C@@]1(C)CO ZINC000602806266 349769790 /nfs/dbraw/zinc/76/97/90/349769790.db2.gz DQQHCGNTRMZMFT-NSHDSACASA-N 0 3 211.309 0.636 20 0 BCADHN CC(C)[C@H](O)CN1CCN([C@H]2CCOC2)CC1 ZINC000374089997 187223182 /nfs/dbraw/zinc/22/31/82/187223182.db2.gz ZGVLJLZWLQKUKM-QWHCGFSZSA-N 0 3 242.363 0.410 20 0 BCADHN CC[C@@H]1CN(CC2(CO)COC2)CCS1 ZINC000151885236 323032021 /nfs/dbraw/zinc/03/20/21/323032021.db2.gz LUVQKWGWFSZHQL-SNVBAGLBSA-N 0 3 231.361 0.823 20 0 BCADHN COCC1(CCNC(=O)[C@@H](C)N)CC1 ZINC000576824646 365695285 /nfs/dbraw/zinc/69/52/85/365695285.db2.gz GQMLIMPJNLFNIE-MRVPVSSYSA-N 0 3 200.282 0.267 20 0 BCADHN CCNC(=O)CCN(C)CCOCC1CC1 ZINC000088599843 259344222 /nfs/dbraw/zinc/34/42/22/259344222.db2.gz PLYQDCNVVYWLGH-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N1CC(O)C1 ZINC000305154643 187225149 /nfs/dbraw/zinc/22/51/49/187225149.db2.gz VHXWJEQDXPRLLR-SNVBAGLBSA-N 0 3 212.293 0.064 20 0 BCADHN C[C@H]1OCC[C@]1(C)NCC(=O)NC1CC1 ZINC000235638411 343054901 /nfs/dbraw/zinc/05/49/01/343054901.db2.gz ULAMKTKZLJVNFG-KCJUWKMLSA-N 0 3 212.293 0.422 20 0 BCADHN CC1(C)C[C@H](NC(=O)CN)c2cc(N)ccc2O1 ZINC000377758311 187225901 /nfs/dbraw/zinc/22/59/01/187225901.db2.gz GXXVYZZVEKKYLP-JTQLQIEISA-N 0 3 249.314 0.946 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)O)C1 ZINC000305819009 187226333 /nfs/dbraw/zinc/22/63/33/187226333.db2.gz AUWIXFDXKCXKEO-MNOVXSKESA-N 0 3 228.336 0.556 20 0 BCADHN C[C@H](O)CCN(C)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634645829 343056963 /nfs/dbraw/zinc/05/69/63/343056963.db2.gz TZEIAMUUDHCAMS-WCFLWFBJSA-N 0 3 245.363 0.601 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000576871420 365703906 /nfs/dbraw/zinc/70/39/06/365703906.db2.gz PQVHKQWRXDWEQW-IWSPIJDZSA-N 0 3 212.293 0.407 20 0 BCADHN C[C@@H]1COCCN1CCNCc1cn[nH]c1 ZINC000309832644 343063033 /nfs/dbraw/zinc/06/30/33/343063033.db2.gz ZANUARKPKRJQCC-SNVBAGLBSA-N 0 3 224.308 0.220 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N(C)CCOC ZINC000038101277 343064864 /nfs/dbraw/zinc/06/48/64/343064864.db2.gz YEGPJRYNUCKDEZ-RKDXNWHRSA-N 0 3 202.298 0.465 20 0 BCADHN Cc1ccc(CNCCC(N)=O)nc1C ZINC000314131866 259345515 /nfs/dbraw/zinc/34/55/15/259345515.db2.gz IMTYOIRQPJIMAN-UHFFFAOYSA-N 0 3 207.277 0.663 20 0 BCADHN CCCCN1CCCNC[C@H]1C(=O)OC ZINC000309852097 343066123 /nfs/dbraw/zinc/06/61/23/343066123.db2.gz YILQEVDEMWHPNF-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN COC[C@@]1(C)CCN([C@@H]2CCCNC2=O)C1 ZINC000336206651 536824686 /nfs/dbraw/zinc/82/46/86/536824686.db2.gz UHQUFUXQTIBJFP-PWSUYJOCSA-N 0 3 226.320 0.623 20 0 BCADHN CN(C)C(=O)CCN(C)CCN1CCCC1=O ZINC000602886841 349794232 /nfs/dbraw/zinc/79/42/32/349794232.db2.gz SAGNJDPYYIJITE-UHFFFAOYSA-N 0 3 241.335 0.019 20 0 BCADHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cncn1C ZINC000177278314 346924716 /nfs/dbraw/zinc/92/47/16/346924716.db2.gz ULYQCIYVYUSQDM-UWVGGRQHSA-N 0 3 236.319 0.506 20 0 BCADHN C[C@H]1C[C@@H](N(C)C(=O)CN(C)C)CCN1C ZINC000175100630 362026345 /nfs/dbraw/zinc/02/63/45/362026345.db2.gz AAODAFGBWNIPJZ-QWRGUYRKSA-N 0 3 227.352 0.489 20 0 BCADHN CN1CCN(CCCCNc2ncccn2)CC1 ZINC000067447543 362030250 /nfs/dbraw/zinc/03/02/50/362030250.db2.gz PMRLSIRZYZVFMC-UHFFFAOYSA-N 0 3 249.362 0.916 20 0 BCADHN Cc1ncc(CN[C@@H](CO)CC(F)F)n1C ZINC000567628121 323033774 /nfs/dbraw/zinc/03/37/74/323033774.db2.gz KIOHFMRIYJJIGN-MRVPVSSYSA-N 0 3 233.262 0.834 20 0 BCADHN CC[C@H](O)CN1CCN(C(C)C)CC1 ZINC000037694117 343075156 /nfs/dbraw/zinc/07/51/56/343075156.db2.gz DCGHZUFKBGGPHD-NSHDSACASA-N 0 3 200.326 0.783 20 0 BCADHN C[C@@H](CNC(=O)c1cnn2cccnc12)N(C)C ZINC000046272025 343100293 /nfs/dbraw/zinc/10/02/93/343100293.db2.gz SJDKGGOXRHWBKX-VIFPVBQESA-N 0 3 247.302 0.409 20 0 BCADHN Cc1nn(C)c(C)c1C(=O)NC[C@@H](C)N(C)C ZINC000046272479 343101130 /nfs/dbraw/zinc/10/11/30/343101130.db2.gz TYCVOAKZMABVHL-MRVPVSSYSA-N 0 3 238.335 0.717 20 0 BCADHN C[C@H](N)C(=O)Nc1nc2c(s1)CCC2 ZINC000049547716 343110732 /nfs/dbraw/zinc/11/07/32/343110732.db2.gz IBCUVGUTJANKPE-YFKPBYRVSA-N 0 3 211.290 0.918 20 0 BCADHN O[C@@H](CNC[C@H](O)C(F)(F)F)C(F)F ZINC000236537368 343102126 /nfs/dbraw/zinc/10/21/26/343102126.db2.gz FFWNHHLWPCUXLG-IMJSIDKUSA-N 0 3 223.141 0.125 20 0 BCADHN O[C@H](CNCCOCC(F)F)C(F)(F)F ZINC000236558263 343102332 /nfs/dbraw/zinc/10/23/32/343102332.db2.gz CIIPNHRPMLHALI-RXMQYKEDSA-N 0 3 237.168 0.781 20 0 BCADHN CN1CCC(C(=O)N2CCO[C@@H](CF)C2)CC1 ZINC000622699462 343102382 /nfs/dbraw/zinc/10/23/82/343102382.db2.gz KXIRBSGPVAVRGA-NSHDSACASA-N 0 3 244.310 0.525 20 0 BCADHN C[C@@H](CNC(=O)c1cnccn1)N(C)C ZINC000046275588 343107752 /nfs/dbraw/zinc/10/77/52/343107752.db2.gz AMTZUISVLPNAHY-QMMMGPOBSA-N 0 3 208.265 0.157 20 0 BCADHN CC[C@@H](N)C(=O)N(C)C[C@H]1CCCOC1 ZINC000082545366 362057088 /nfs/dbraw/zinc/05/70/88/362057088.db2.gz MFQLXFGLUDEOAE-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN CN(C[C@H]1CCCOC1)C(=O)CNC1CC1 ZINC000082545381 362057629 /nfs/dbraw/zinc/05/76/29/362057629.db2.gz RPPYVXDGTGOIDT-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)N(C)C(=O)CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125341207 187232739 /nfs/dbraw/zinc/23/27/39/187232739.db2.gz HCDZSHJNTPVGFT-TUAOUCFPSA-N 0 3 240.347 0.556 20 0 BCADHN COCCNCCNC(=O)N[C@@H](C)C1CCC1 ZINC000669544934 488199669 /nfs/dbraw/zinc/19/96/69/488199669.db2.gz SDQCTLVEZHUMDX-JTQLQIEISA-N 0 3 243.351 0.710 20 0 BCADHN C[C@@H](CNC(=O)Cc1ccco1)N(C)C ZINC000268770307 488202178 /nfs/dbraw/zinc/20/21/78/488202178.db2.gz PMTCAYGRRIRRSC-VIFPVBQESA-N 0 3 210.277 0.888 20 0 BCADHN FCCCN1CCN(c2ncc[nH]2)CC1 ZINC000402798641 343111822 /nfs/dbraw/zinc/11/18/22/343111822.db2.gz OIVKWQFIBDXFGV-UHFFFAOYSA-N 0 3 212.272 0.891 20 0 BCADHN CC[C@H](C)n1cc(C[C@H](N)COC)nn1 ZINC000640938857 362075330 /nfs/dbraw/zinc/07/53/30/362075330.db2.gz LWXVQMZIBIXNQA-IUCAKERBSA-N 0 3 212.297 0.765 20 0 BCADHN CO[C@H](C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000168728563 136269895 /nfs/dbraw/zinc/26/98/95/136269895.db2.gz XWOALXVAXNPWCK-AEJSXWLSSA-N 0 3 214.309 0.620 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000236938454 343115574 /nfs/dbraw/zinc/11/55/74/343115574.db2.gz ROHLHQAGFOUQKG-XCBNKYQSSA-N 0 3 224.308 0.503 20 0 BCADHN CN(CCc1cn(C)nn1)C[C@@H]1CCC[C@H]1O ZINC000625264533 343146934 /nfs/dbraw/zinc/14/69/34/343146934.db2.gz BVLFBPZWFDCLRR-CMPLNLGQSA-N 0 3 238.335 0.450 20 0 BCADHN CN(CCc1cn(C)nn1)C[C@H]1CCC[C@@H]1O ZINC000625264549 343147389 /nfs/dbraw/zinc/14/73/89/343147389.db2.gz BVLFBPZWFDCLRR-PWSUYJOCSA-N 0 3 238.335 0.450 20 0 BCADHN CCN(C#N)CCNC1(CC(=O)OC)CC1 ZINC000602866869 349799022 /nfs/dbraw/zinc/79/90/22/349799022.db2.gz SPUNWNQRJQABLX-UHFFFAOYSA-N 0 3 225.292 0.475 20 0 BCADHN CO[C@H](C)CN1CCCN(C(=O)C2CC2)CC1 ZINC000189283776 136270710 /nfs/dbraw/zinc/27/07/10/136270710.db2.gz ONKBMPIZLJVOPH-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@H]1CC[C@H](O)C1 ZINC000189285219 136270721 /nfs/dbraw/zinc/27/07/21/136270721.db2.gz NUYGVKVAJSQMFP-DCAQKATOSA-N 0 3 249.376 0.560 20 0 BCADHN COCCn1cc(CNCC[C@H](C)O)cn1 ZINC000309973031 343123003 /nfs/dbraw/zinc/12/30/03/343123003.db2.gz QQHFOIPQAXTOHP-JTQLQIEISA-N 0 3 227.308 0.390 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCCOC(C)(C)C ZINC000193581105 136270953 /nfs/dbraw/zinc/27/09/53/136270953.db2.gz WBXLFQXLQWDOIK-ZJUUUORDSA-N 0 3 228.336 0.916 20 0 BCADHN Cc1occc1CNCCN1CC[C@H](O)C1 ZINC000623838052 343125351 /nfs/dbraw/zinc/12/53/51/343125351.db2.gz DZKHVCASQXCLHW-LBPRGKRZSA-N 0 3 224.304 0.744 20 0 BCADHN COCCN(CC(F)F)C(=O)CNC1CC1 ZINC000237267020 343131598 /nfs/dbraw/zinc/13/15/98/343131598.db2.gz DATJAIKTNCJNKM-UHFFFAOYSA-N 0 3 236.262 0.479 20 0 BCADHN C[C@H](c1ccccn1)n1cc(CN)nn1 ZINC000640995195 362107489 /nfs/dbraw/zinc/10/74/89/362107489.db2.gz HUZJCHUKQWOFPM-MRVPVSSYSA-N 0 3 203.249 0.741 20 0 BCADHN [NH3+]C[C@H](NC(=O)c1c[n-]nn1)C1CCCCC1 ZINC000130804480 343182155 /nfs/dbraw/zinc/18/21/55/343182155.db2.gz STNUDLPUSWLPGP-VIFPVBQESA-N 0 3 237.307 0.442 20 0 BCADHN [NH3+]C[C@H](NC(=O)c1cnn[n-]1)C1CCCCC1 ZINC000130804480 343182158 /nfs/dbraw/zinc/18/21/58/343182158.db2.gz STNUDLPUSWLPGP-VIFPVBQESA-N 0 3 237.307 0.442 20 0 BCADHN [NH3+]C[C@H](NC(=O)c1cn[n-]n1)C1CCCCC1 ZINC000130804480 343182160 /nfs/dbraw/zinc/18/21/60/343182160.db2.gz STNUDLPUSWLPGP-VIFPVBQESA-N 0 3 237.307 0.442 20 0 BCADHN CNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)CNC2 ZINC000131132276 343182718 /nfs/dbraw/zinc/18/27/18/343182718.db2.gz JLHAKSGHBIZHAR-QMMMGPOBSA-N 0 3 247.298 0.154 20 0 BCADHN Cc1cnccc1CNC(=O)[C@@H](N)C(C)C ZINC000129840106 343185003 /nfs/dbraw/zinc/18/50/03/343185003.db2.gz GVSQQUQWIQVASK-NSHDSACASA-N 0 3 221.304 0.990 20 0 BCADHN COC[C@H](O)CNCc1ccncc1C ZINC000129779335 343185042 /nfs/dbraw/zinc/18/50/42/343185042.db2.gz RLPFCENVBLNHQQ-LLVKDONJSA-N 0 3 210.277 0.487 20 0 BCADHN Cc1cccc(C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000122563329 343160344 /nfs/dbraw/zinc/16/03/44/343160344.db2.gz HAIUFMXLAALAHI-ZDUSSCGKSA-N 0 3 247.342 0.710 20 0 BCADHN Cc1cncc(C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000122551593 343160422 /nfs/dbraw/zinc/16/04/22/343160422.db2.gz UZDJFFKCERHBTM-GFCCVEGCSA-N 0 3 248.330 0.105 20 0 BCADHN Cc1ccoc1C(=O)N1CCN(C)C[C@H]1CN ZINC000122655049 343161266 /nfs/dbraw/zinc/16/12/66/343161266.db2.gz KASOGCBZHLULDX-SNVBAGLBSA-N 0 3 237.303 0.303 20 0 BCADHN COC[C@H](NCc1cnnn1C)C1CC1 ZINC000121326367 343162879 /nfs/dbraw/zinc/16/28/79/343162879.db2.gz YRCCCNKATFOOMZ-JTQLQIEISA-N 0 3 210.281 0.330 20 0 BCADHN COc1cccc(C(=O)N(C)[C@H](C)C[NH3+])c1[O-] ZINC000123740191 343165739 /nfs/dbraw/zinc/16/57/39/343165739.db2.gz FVJBPOXMCWALFQ-MRVPVSSYSA-N 0 3 238.287 0.820 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000602867423 349799186 /nfs/dbraw/zinc/79/91/86/349799186.db2.gz GQICMQVSYYEGIA-DMZJWBPISA-N 0 3 229.345 0.617 20 0 BCADHN NCCC(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000070159705 136272486 /nfs/dbraw/zinc/27/24/86/136272486.db2.gz QLFCILLYLMDEEV-UHFFFAOYSA-N 0 3 204.233 0.272 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(N)cn1 ZINC000156863814 343199202 /nfs/dbraw/zinc/19/92/02/343199202.db2.gz DOSIHHVMVSGZPB-LLVKDONJSA-N 0 3 248.330 0.830 20 0 BCADHN COC(C)(C)CNC(=O)C1(N)CCC1 ZINC000159170771 343202017 /nfs/dbraw/zinc/20/20/17/343202017.db2.gz HTOKDAQBZDLAAJ-UHFFFAOYSA-N 0 3 200.282 0.409 20 0 BCADHN CN[C@@H](C)C(=O)N(C)[C@@H]1CCSC1 ZINC000054072037 488207494 /nfs/dbraw/zinc/20/74/94/488207494.db2.gz OUINFUNUVRLRCQ-JGVFFNPUSA-N 0 3 202.323 0.558 20 0 BCADHN C[C@H](NC(=O)NCCN(C)C)C(F)F ZINC000641010947 362125408 /nfs/dbraw/zinc/12/54/08/362125408.db2.gz AJMVMBVZKKBBFI-LURJTMIESA-N 0 3 209.240 0.501 20 0 BCADHN CSCCN(C)C(=O)C[C@H]1CSCCN1 ZINC000167399831 343209218 /nfs/dbraw/zinc/20/92/18/343209218.db2.gz VCMSGGOZDZONPM-VIFPVBQESA-N 0 3 248.417 0.903 20 0 BCADHN CCN(CC)CC(=O)NC(=O)NC(C)(C)C ZINC000046444064 343214358 /nfs/dbraw/zinc/21/43/58/343214358.db2.gz RVBHPCPDVDNVQB-UHFFFAOYSA-N 0 3 229.324 0.953 20 0 BCADHN CN(CCc1cn(C)nn1)CCc1ccncc1 ZINC000625279560 343218151 /nfs/dbraw/zinc/21/81/51/343218151.db2.gz CWSBREHELDLOJW-UHFFFAOYSA-N 0 3 245.330 0.927 20 0 BCADHN CCO[C@H](CN1CC[C@H](NC(N)=O)C1)C1CC1 ZINC000625278228 343218429 /nfs/dbraw/zinc/21/84/29/343218429.db2.gz RMJPJMWGBSOIAI-WDEREUQCSA-N 0 3 241.335 0.544 20 0 BCADHN C[C@@H]1CN(CCOC2CCOCC2)C[C@@H]1O ZINC000625283182 343219243 /nfs/dbraw/zinc/21/92/43/343219243.db2.gz OLIGOODUWUAUSK-PWSUYJOCSA-N 0 3 229.320 0.495 20 0 BCADHN COCCNCC(=O)N[C@H](C)C(C)(C)C ZINC000133455770 343191244 /nfs/dbraw/zinc/19/12/44/343191244.db2.gz KOWSOSIYXDZNIQ-SECBINFHSA-N 0 3 216.325 0.773 20 0 BCADHN Cc1ccc(C(=O)NC[C@H]2CNCCO2)cn1 ZINC000134259378 343193935 /nfs/dbraw/zinc/19/39/35/343193935.db2.gz KCTHJHKJQHWKPJ-LLVKDONJSA-N 0 3 235.287 0.108 20 0 BCADHN COc1ccc(CNC[C@H](C)O)cc1O ZINC000032012473 343228172 /nfs/dbraw/zinc/22/81/72/343228172.db2.gz PNHWALUPPRZNHY-QMMMGPOBSA-N 0 3 211.261 0.871 20 0 BCADHN Cn1cc(CCN2CCC[C@@]2(C)CO)nn1 ZINC000625323920 343232790 /nfs/dbraw/zinc/23/27/90/343232790.db2.gz JUIVJKFQOWMEGQ-NSHDSACASA-N 0 3 224.308 0.204 20 0 BCADHN CCOC[C@@H](O)CNCc1ccccn1 ZINC000068950768 343254665 /nfs/dbraw/zinc/25/46/65/343254665.db2.gz WMOLYIISCKVDQG-NSHDSACASA-N 0 3 210.277 0.569 20 0 BCADHN COc1cncc(CN[C@@H](C)[C@H](C)CO)n1 ZINC000625325379 343233184 /nfs/dbraw/zinc/23/31/84/343233184.db2.gz IEXBTBIVAHGRNT-BDAKNGLRSA-N 0 3 225.292 0.592 20 0 BCADHN CC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000334198805 187250164 /nfs/dbraw/zinc/25/01/64/187250164.db2.gz OSMWEBOGMSBBSV-NSHDSACASA-N 0 3 239.363 0.633 20 0 BCADHN CSCC[C@@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000163632746 136279003 /nfs/dbraw/zinc/27/90/03/136279003.db2.gz QBSJUKRHRBXHPP-KXUCPTDWSA-N 0 3 244.360 0.457 20 0 BCADHN C[C@@H]1CC[C@H](CN2CC[C@@H](F)[C@H](N)C2)O1 ZINC000634688504 343248014 /nfs/dbraw/zinc/24/80/14/343248014.db2.gz UYZJLMXDHRAYQW-GWOFURMSSA-N 0 3 216.300 0.925 20 0 BCADHN C[C@H]1CC[C@@H](CN2CC[C@@H](F)[C@H](N)C2)O1 ZINC000634688507 343248091 /nfs/dbraw/zinc/24/80/91/343248091.db2.gz UYZJLMXDHRAYQW-UKKRHICBSA-N 0 3 216.300 0.925 20 0 BCADHN O=S1(=O)CCC[C@H](NC[C@H]2CCCO2)C1 ZINC000068939474 343253350 /nfs/dbraw/zinc/25/33/50/343253350.db2.gz CYLZKMLJXCMPFM-VHSXEESVSA-N 0 3 233.333 0.332 20 0 BCADHN C[C@H]1CCN(CCN2CCOCC2)C[C@@H]1CO ZINC000621367212 343283688 /nfs/dbraw/zinc/28/36/88/343283688.db2.gz XDZVYMZVBLAVSL-QWHCGFSZSA-N 0 3 242.363 0.269 20 0 BCADHN COC[C@H](C)N1CCC[C@H](C(=O)OC)C1 ZINC000097989379 136290328 /nfs/dbraw/zinc/29/03/28/136290328.db2.gz IRIJREKQYZEPDQ-UWVGGRQHSA-N 0 3 215.293 0.906 20 0 BCADHN Cn1cncc1CCNC(=O)[C@@H]1CCCN1C ZINC000121345747 343267202 /nfs/dbraw/zinc/26/72/02/343267202.db2.gz YRCHNAWUVCYEJT-NSHDSACASA-N 0 3 236.319 0.173 20 0 BCADHN C[C@H](CNC(=O)N[C@@H](C)C(F)F)N(C)C ZINC000641035371 362147958 /nfs/dbraw/zinc/14/79/58/362147958.db2.gz HVTYDBFOIKUCQU-RQJHMYQMSA-N 0 3 223.267 0.889 20 0 BCADHN Cc1cc(C(=O)NC[C@H](C)N(C)C)[nH]n1 ZINC000068064349 362150010 /nfs/dbraw/zinc/15/00/10/362150010.db2.gz NWNGHULCBPORIV-QMMMGPOBSA-N 0 3 210.281 0.398 20 0 BCADHN CNC(C)(C)c1cn(Cc2cncn2C)nn1 ZINC000641037635 362150183 /nfs/dbraw/zinc/15/01/83/362150183.db2.gz BVOWQZLHWAXQOA-UHFFFAOYSA-N 0 3 234.307 0.514 20 0 BCADHN C[C@@H]1CSCCN1CCOCCO ZINC000069761336 343290874 /nfs/dbraw/zinc/29/08/74/343290874.db2.gz WSKSUYOCCAYTIA-SECBINFHSA-N 0 3 205.323 0.433 20 0 BCADHN CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)[C@@H](C)N)C1 ZINC000121754707 343276310 /nfs/dbraw/zinc/27/63/10/343276310.db2.gz FBZLPRSYJNAFGZ-TWTBIMQBSA-N 0 3 246.376 0.530 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2cc(C)n(C)n2)nn1 ZINC000641038788 362151649 /nfs/dbraw/zinc/15/16/49/362151649.db2.gz ZCMLKGBUMKPFCB-GFCCVEGCSA-N 0 3 248.334 0.952 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000035222913 343290376 /nfs/dbraw/zinc/29/03/76/343290376.db2.gz JWNLWTQGYQXGOG-PSASIEDQSA-N 0 3 220.272 0.974 20 0 BCADHN Cc1nccn1CC(=O)N1CCCN(C)CC1 ZINC000146155429 343282408 /nfs/dbraw/zinc/28/24/08/343282408.db2.gz MIVAXMCUDGGUKU-UHFFFAOYSA-N 0 3 236.319 0.356 20 0 BCADHN COC[C@@H](CNCc1ccc(=O)[nH]c1)OC ZINC000631109659 343320578 /nfs/dbraw/zinc/32/05/78/343320578.db2.gz GTHZDXQIPWNNDP-SNVBAGLBSA-N 0 3 226.276 0.538 20 0 BCADHN CC(C)C(=O)NCCNCc1ccnn1C ZINC000036901188 343326997 /nfs/dbraw/zinc/32/69/97/343326997.db2.gz HPKCZOOJKADICT-UHFFFAOYSA-N 0 3 224.308 0.282 20 0 BCADHN CC(C)[C@@H](N)c1cn(Cc2c[nH]nn2)nn1 ZINC000641056764 362166730 /nfs/dbraw/zinc/16/67/30/362166730.db2.gz PYKDFRNGVHMBHG-SECBINFHSA-N 0 3 221.268 0.100 20 0 BCADHN C[C@H](CN1CCOCC1)NCc1ccccn1 ZINC000036932924 343328048 /nfs/dbraw/zinc/32/80/48/343328048.db2.gz HFYSSSQCTIWNPY-GFCCVEGCSA-N 0 3 235.331 0.892 20 0 BCADHN C[C@H](CN1CCOCC1)NCc1ccncc1 ZINC000036932814 343328069 /nfs/dbraw/zinc/32/80/69/343328069.db2.gz HWCOVRDTROQKJI-GFCCVEGCSA-N 0 3 235.331 0.892 20 0 BCADHN CC[C@H](O)CN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496083381 529702259 /nfs/dbraw/zinc/70/22/59/529702259.db2.gz NHWXATGKIQKSCD-VHSXEESVSA-N 0 3 230.308 0.530 20 0 BCADHN C[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCCCN1 ZINC000036999319 343330108 /nfs/dbraw/zinc/33/01/08/343330108.db2.gz JVYRBNWAIPAAJH-WDEREUQCSA-N 0 3 236.319 0.530 20 0 BCADHN Cc1c([C@H](C)NC(=O)[C@H](N)C(C)C)cnn1C ZINC000037001386 343330250 /nfs/dbraw/zinc/33/02/50/343330250.db2.gz OAUROUWMNQNUNE-GZMMTYOYSA-N 0 3 238.335 0.889 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000037018281 343330458 /nfs/dbraw/zinc/33/04/58/343330458.db2.gz DLRVEDHXPVNJCK-BQBZGAKWSA-N 0 3 249.270 0.692 20 0 BCADHN c1n[nH]nc1Cn1cc(CN2CCCCC2)nn1 ZINC000641057276 362167728 /nfs/dbraw/zinc/16/77/28/362167728.db2.gz ZUPLYESGONPMIP-UHFFFAOYSA-N 0 3 247.306 0.430 20 0 BCADHN CCN(CCNC(=O)[C@H](COC)OC)C1CC1 ZINC000668152791 488210812 /nfs/dbraw/zinc/21/08/12/488210812.db2.gz ZFQLDSZYVXVGMQ-NSHDSACASA-N 0 3 244.335 0.248 20 0 BCADHN COCCOCCN1CCC[C@@H](O)C1 ZINC000070029775 343295551 /nfs/dbraw/zinc/29/55/51/343295551.db2.gz LTBVJYYYVSISBP-SNVBAGLBSA-N 0 3 203.282 0.106 20 0 BCADHN COCCOCCN1CCC(O)CC1 ZINC000070029777 343295842 /nfs/dbraw/zinc/29/58/42/343295842.db2.gz FLAIYLRXLAVSNX-UHFFFAOYSA-N 0 3 203.282 0.106 20 0 BCADHN CC[C@@H](OC)C(=O)NCCN1CCCC1 ZINC000344810667 136292814 /nfs/dbraw/zinc/29/28/14/136292814.db2.gz GZBWINBRTBQVAN-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN C[C@@H](CNC(=O)N1CCO[C@@H](C)C1)N(C)C ZINC000334635730 136292878 /nfs/dbraw/zinc/29/28/78/136292878.db2.gz NNFIIBOWSZHIJO-UWVGGRQHSA-N 0 3 229.324 0.367 20 0 BCADHN COc1cc(CN[C@@H](C)CO)cc(OC)c1O ZINC000035602353 343299358 /nfs/dbraw/zinc/29/93/58/343299358.db2.gz VTHHQCKNFIPTGT-QMMMGPOBSA-N 0 3 241.287 0.880 20 0 BCADHN CN(C)Cc1ccc(C(=O)NCCCO)cc1 ZINC000035607108 343299992 /nfs/dbraw/zinc/29/99/92/343299992.db2.gz CVYNEOKDMMPAIW-UHFFFAOYSA-N 0 3 236.315 0.860 20 0 BCADHN CC[C@@H](N)c1cn(Cc2ccnc(OC)n2)nn1 ZINC000641052744 362162416 /nfs/dbraw/zinc/16/24/16/362162416.db2.gz VNIZNKFPEOBQOG-SECBINFHSA-N 0 3 248.290 0.535 20 0 BCADHN C[C@@H]1CCN([C@@H]2CCCNC2=O)C[C@@H]1CO ZINC000621370058 343304340 /nfs/dbraw/zinc/30/43/40/343304340.db2.gz BABGZCXUMWHXKW-GMTAPVOTSA-N 0 3 226.320 0.215 20 0 BCADHN Cc1ccc(NC(=O)[C@H]2C[C@H](O)CN2)cc1F ZINC000020434371 343305579 /nfs/dbraw/zinc/30/55/79/343305579.db2.gz PMBRGYDWPREQCV-GXSJLCMTSA-N 0 3 238.262 0.795 20 0 BCADHN O=C(CNC1CC1)NCC1(CCO)CCCC1 ZINC000584051874 343306777 /nfs/dbraw/zinc/30/67/77/343306777.db2.gz XECOBCPLUJBGDE-UHFFFAOYSA-N 0 3 240.347 0.797 20 0 BCADHN CO[C@H](CN)C(=O)Nc1nc(C2CC2)c[nH]1 ZINC000584051791 343307079 /nfs/dbraw/zinc/30/70/79/343307079.db2.gz RFCZPSVBANNPPL-MRVPVSSYSA-N 0 3 224.264 0.199 20 0 BCADHN CC(C)OC[C@@H](O)CN(CCO)C1CC1 ZINC000070190761 343309117 /nfs/dbraw/zinc/30/91/17/343309117.db2.gz ZQKPFVLXXTYRSD-NSHDSACASA-N 0 3 217.309 0.229 20 0 BCADHN C[C@@]1(CO)CCCN1C[C@H](O)C(F)(F)F ZINC000122201640 343310720 /nfs/dbraw/zinc/31/07/20/343310720.db2.gz KELPOSRFKFOSAB-YUMQZZPRSA-N 0 3 227.226 0.756 20 0 BCADHN Cc1cc(CN(C)C(=O)[C@@H](N)C(C)C)no1 ZINC000036200348 343312286 /nfs/dbraw/zinc/31/22/86/343312286.db2.gz FEUMSELIWPQSCE-JTQLQIEISA-N 0 3 225.292 0.925 20 0 BCADHN CCS(=O)(=O)NCCN1CCCCCC1 ZINC000070252549 343315805 /nfs/dbraw/zinc/31/58/05/343315805.db2.gz MBYOGJXZWSPURY-UHFFFAOYSA-N 0 3 234.365 0.802 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000037818358 343357152 /nfs/dbraw/zinc/35/71/52/343357152.db2.gz DWBIMIXFAAKDNU-PWSUYJOCSA-N 0 3 234.299 0.934 20 0 BCADHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cccnn1 ZINC000625381557 343366070 /nfs/dbraw/zinc/36/60/70/343366070.db2.gz QHIUCRYMSIBAON-NSHDSACASA-N 0 3 246.314 0.691 20 0 BCADHN Cn1cc(CCN2CCC[C@@](C)(O)CC2)nn1 ZINC000625384309 343366706 /nfs/dbraw/zinc/36/67/06/343366706.db2.gz KYXIRBIMGUDXIK-GFCCVEGCSA-N 0 3 238.335 0.595 20 0 BCADHN CC[C@H](O)CNC(=O)NC1CCN(CC)CC1 ZINC000487524046 529703641 /nfs/dbraw/zinc/70/36/41/529703641.db2.gz ILNDJJAGIAHPKA-NSHDSACASA-N 0 3 243.351 0.541 20 0 BCADHN Cc1ccccc1NC(=O)C(=O)NC1CNC1 ZINC000335635060 136300850 /nfs/dbraw/zinc/30/08/50/136300850.db2.gz AUSVSBWMQZTKDD-UHFFFAOYSA-N 0 3 233.271 0.022 20 0 BCADHN CN1CCC(NC(=O)NCc2ccccn2)CC1 ZINC000038264375 343373442 /nfs/dbraw/zinc/37/34/42/343373442.db2.gz YCPMYHZHWWIYSI-UHFFFAOYSA-N 0 3 248.330 0.975 20 0 BCADHN CCCNC(=O)CN[C@H](CC)COC ZINC000070623874 343335903 /nfs/dbraw/zinc/33/59/03/343335903.db2.gz CVPBVFDXTRGHLR-SECBINFHSA-N 0 3 202.298 0.527 20 0 BCADHN CNCCNS(=O)(=O)CC(C)(C)C ZINC000070633778 343336309 /nfs/dbraw/zinc/33/63/09/343336309.db2.gz STVGDIPDBFMOAB-UHFFFAOYSA-N 0 3 208.327 0.171 20 0 BCADHN CCOC(=O)C[C@H](O)CN(CC)[C@H]1CCOC1 ZINC000310186882 343377439 /nfs/dbraw/zinc/37/74/39/343377439.db2.gz YRFBFZLMJLZDHD-QWRGUYRKSA-N 0 3 245.319 0.411 20 0 BCADHN C[C@@H](Cn1ccnc1)NCc1cnn(C)c1 ZINC000037157030 343337409 /nfs/dbraw/zinc/33/74/09/343337409.db2.gz 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BCADHN COc1ccc(CNCCOCCO)cc1F ZINC000037496036 343347394 /nfs/dbraw/zinc/34/73/94/343347394.db2.gz LQADIWJVWLJROQ-UHFFFAOYSA-N 0 3 243.278 0.933 20 0 BCADHN CC(C)NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000335647826 136304239 /nfs/dbraw/zinc/30/42/39/136304239.db2.gz BJDACQPKXKBOTM-BDAKNGLRSA-N 0 3 229.324 0.807 20 0 BCADHN Cc1ccccc1NC(=O)C(=O)N(C)C1CNC1 ZINC000335648210 136304477 /nfs/dbraw/zinc/30/44/77/136304477.db2.gz DIASRFXHCNTIJF-UHFFFAOYSA-N 0 3 247.298 0.364 20 0 BCADHN Cn1cc(NC(=O)C2(N)CCCCC2)ccc1=O ZINC000037770278 343354586 /nfs/dbraw/zinc/35/45/86/343354586.db2.gz BLKDQQWLNRBMSB-UHFFFAOYSA-N 0 3 249.314 0.985 20 0 BCADHN NCC(=O)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000335658008 136306774 /nfs/dbraw/zinc/30/67/74/136306774.db2.gz RLSBTDUGTUTLQN-NSHDSACASA-N 0 3 244.298 0.768 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@H]1CCCN(CC)C1 ZINC000488036301 529706114 /nfs/dbraw/zinc/70/61/14/529706114.db2.gz AMHIENFPNIGVIF-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H]1COCCN1C(=O)C12CCCN1CCC2 ZINC000335643041 136308981 /nfs/dbraw/zinc/30/89/81/136308981.db2.gz MDWOEJKFSTYUBQ-NSHDSACASA-N 0 3 238.331 0.862 20 0 BCADHN O=C(CCOC1CNC1)NC[C@@H]1CCCS1 ZINC000348957084 136310272 /nfs/dbraw/zinc/31/02/72/136310272.db2.gz OLVVXFHINHHKMR-JTQLQIEISA-N 0 3 244.360 0.377 20 0 BCADHN C[C@H]1CSCCN1C(=O)CCOC1CNC1 ZINC000348959872 136310549 /nfs/dbraw/zinc/31/05/49/136310549.db2.gz WZQAXTSYAUWLNJ-VIFPVBQESA-N 0 3 244.360 0.329 20 0 BCADHN C[C@@H]1CN(C(=O)CCOC2CNC2)C[C@H]1C ZINC000349010558 136311272 /nfs/dbraw/zinc/31/12/72/136311272.db2.gz YEHJYDDHCXQPEM-NXEZZACHSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@H]1NC(=O)N(CCN2CCC(C)CC2)C1=O ZINC000335666594 136311469 /nfs/dbraw/zinc/31/14/69/136311469.db2.gz ALUZZHNUIVVECH-SNVBAGLBSA-N 0 3 239.319 0.659 20 0 BCADHN C[C@@H]1CCN(C(=O)CCOC2CNC2)[C@@H]1C ZINC000349012487 136311767 /nfs/dbraw/zinc/31/17/67/136311767.db2.gz ZQMOCSXBIZZOBO-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN Cn1nnc2cc(CNC[C@H](O)C3CC3)ccc21 ZINC000349016551 136312430 /nfs/dbraw/zinc/31/24/30/136312430.db2.gz ZYOYFWZTDRJPGB-ZDUSSCGKSA-N 0 3 246.314 0.829 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)[C@@]1(C)CCOC1 ZINC000335672065 136313865 /nfs/dbraw/zinc/31/38/65/136313865.db2.gz GDVQPJIYAVLURN-AAEUAGOBSA-N 0 3 240.347 0.966 20 0 BCADHN COCCCCCNC(=O)CCOC1CNC1 ZINC000348989539 136314034 /nfs/dbraw/zinc/31/40/34/136314034.db2.gz JUQBYDXICIRAHG-UHFFFAOYSA-N 0 3 244.335 0.298 20 0 BCADHN C[C@]1(CNC(=O)CCOC2CNC2)CCCO1 ZINC000349003419 136315411 /nfs/dbraw/zinc/31/54/11/136315411.db2.gz QISFNJDNUBNAOC-GFCCVEGCSA-N 0 3 242.319 0.050 20 0 BCADHN O=C(CCOC1CNC1)N1CCc2ccccc21 ZINC000349006135 136316032 /nfs/dbraw/zinc/31/60/32/136316032.db2.gz SWLAMQKQQGNEBL-UHFFFAOYSA-N 0 3 246.310 0.954 20 0 BCADHN C[C@H]1[C@H](C)N(Cc2cc[nH]n2)CCN1C ZINC000335680279 136322386 /nfs/dbraw/zinc/32/23/86/136322386.db2.gz WTFRJAWGSACWQM-UWVGGRQHSA-N 0 3 208.309 0.934 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1csnn1 ZINC000068012280 343391966 /nfs/dbraw/zinc/39/19/66/343391966.db2.gz SYPROLKZZQBDMR-MRVPVSSYSA-N 0 3 240.332 0.752 20 0 BCADHN CCCN1CC[C@H](NC(=O)c2cnnc(C)c2)C1 ZINC000619902718 343400192 /nfs/dbraw/zinc/40/01/92/343400192.db2.gz NVXVRVMGEQGEON-LBPRGKRZSA-N 0 3 248.330 0.999 20 0 BCADHN CCCN1CC[C@@H](NC(=O)c2cncn2C)C1 ZINC000619902415 343400365 /nfs/dbraw/zinc/40/03/65/343400365.db2.gz HIFUVRKXSPEVLH-SNVBAGLBSA-N 0 3 236.319 0.634 20 0 BCADHN CCCN1CC[C@@H](NC(=O)c2cnnc(C)c2)C1 ZINC000619902717 343400540 /nfs/dbraw/zinc/40/05/40/343400540.db2.gz NVXVRVMGEQGEON-GFCCVEGCSA-N 0 3 248.330 0.999 20 0 BCADHN CCCN1CC[C@H](NC(=O)c2cncn2C)C1 ZINC000619902414 343400598 /nfs/dbraw/zinc/40/05/98/343400598.db2.gz HIFUVRKXSPEVLH-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN CC(C(=O)NC1C(C)(C)C1(C)C)S(C)(=O)=O ZINC000335692739 136325811 /nfs/dbraw/zinc/32/58/11/136325811.db2.gz YKWIOUHTKJYABZ-ZETCQYMHSA-N 0 3 247.360 0.970 20 0 BCADHN CN(Cc1cnn(C)c1)C(=O)[C@@H](N)C(C)(C)C ZINC000040464508 343404382 /nfs/dbraw/zinc/40/43/82/343404382.db2.gz CGNCJSWWKJMXQO-SNVBAGLBSA-N 0 3 238.335 0.752 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@H](COC)OC)C1 ZINC000619904463 343405321 /nfs/dbraw/zinc/40/53/21/343405321.db2.gz KVQYEZHRMPGJHE-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000335694465 136326773 /nfs/dbraw/zinc/32/67/73/136326773.db2.gz CNTCWTIINBQEHH-SVRRBLITSA-N 0 3 240.225 0.249 20 0 BCADHN C[C@H](N)C(=O)NCCCn1cnc2ccccc21 ZINC000040809433 343409574 /nfs/dbraw/zinc/40/95/74/343409574.db2.gz PSYSFBNHKWBPAX-JTQLQIEISA-N 0 3 246.314 0.890 20 0 BCADHN CN(C)Cc1ccccc1CNC(=O)CN ZINC000040855247 343409887 /nfs/dbraw/zinc/40/98/87/343409887.db2.gz VPVPUGOZCSUXIB-UHFFFAOYSA-N 0 3 221.304 0.323 20 0 BCADHN CC(=O)Nc1ccc(CNC(=O)[C@@H](C)N)cc1 ZINC000040834280 343410279 /nfs/dbraw/zinc/41/02/79/343410279.db2.gz KICICOPFNQHWPB-MRVPVSSYSA-N 0 3 235.287 0.608 20 0 BCADHN CN1C[C@H](NC[C@@H](O)CC2CCCC2)CC1=O ZINC000310309179 343423712 /nfs/dbraw/zinc/42/37/12/343423712.db2.gz WCYQZBGUBNKXPH-NEPJUHHUSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)(N)C(=O)Nc1ccc(CCO)cc1 ZINC000040924965 343411192 /nfs/dbraw/zinc/41/11/92/343411192.db2.gz VZNLEIFTQNDWAG-UHFFFAOYSA-N 0 3 222.288 0.897 20 0 BCADHN CNC(=O)c1ccc(CNC[C@@H](C)O)cc1 ZINC000037860189 187260930 /nfs/dbraw/zinc/26/09/30/187260930.db2.gz RQVNANQIGDQWQT-SECBINFHSA-N 0 3 222.288 0.517 20 0 BCADHN C[C@H](N)C(=O)NCCOc1ccccc1F ZINC000041246978 343417689 /nfs/dbraw/zinc/41/76/89/343417689.db2.gz YDRSAUAYORQNLG-QMMMGPOBSA-N 0 3 226.251 0.668 20 0 BCADHN Cc1cc(C)cc(OCCNC(=O)CN)c1 ZINC000041240593 343417738 /nfs/dbraw/zinc/41/77/38/343417738.db2.gz YAHNOMCOGNMCME-UHFFFAOYSA-N 0 3 222.288 0.757 20 0 BCADHN C[C@@H](N)C(=O)NCCCOc1ccccc1 ZINC000041240514 343417870 /nfs/dbraw/zinc/41/78/70/343417870.db2.gz JZKRDIJNTMQPJY-SNVBAGLBSA-N 0 3 222.288 0.919 20 0 BCADHN COC[C@H](N)Cc1cn(C[C@@H]2C[C@H]2C)nn1 ZINC000641080313 362195072 /nfs/dbraw/zinc/19/50/72/362195072.db2.gz IMGSZCHZSGLQEV-KXUCPTDWSA-N 0 3 224.308 0.450 20 0 BCADHN CC1CCN(C(=O)CCOC2CNC2)CC1 ZINC000349031757 136319913 /nfs/dbraw/zinc/31/99/13/136319913.db2.gz VPMPMGHXHBCRJZ-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN O=C(CN1CCC[C@@H]2COCC[C@@H]21)NC1CC1 ZINC000335723763 136346510 /nfs/dbraw/zinc/34/65/10/136346510.db2.gz ISJDTRFNZAEMKK-PWSUYJOCSA-N 0 3 238.331 0.766 20 0 BCADHN CCS(=O)(=O)N(C)C[C@H]1CCN(C)C1 ZINC000082432394 343441097 /nfs/dbraw/zinc/44/10/97/343441097.db2.gz LNHBTKWDEOYNSN-VIFPVBQESA-N 0 3 220.338 0.220 20 0 BCADHN C[C@@H]1C[C@H]1Cn1cc(Cn2cc(CN)cn2)nn1 ZINC000641084299 362206115 /nfs/dbraw/zinc/20/61/15/362206115.db2.gz YMVYRCQFKVBKLT-KOLCDFICSA-N 0 3 246.318 0.638 20 0 BCADHN Cc1ncncc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000277511663 187339881 /nfs/dbraw/zinc/33/98/81/187339881.db2.gz QZLGJKCBVSAACQ-PSASIEDQSA-N 0 3 234.303 0.607 20 0 BCADHN CC[C@H](N)c1cn([C@H]2CCCN(C)C2=O)nn1 ZINC000641085181 362208237 /nfs/dbraw/zinc/20/82/37/362208237.db2.gz CFTLLVTXZNEDQI-WPRPVWTQSA-N 0 3 237.307 0.481 20 0 BCADHN CC[C@@H](N)c1cn([C@H]2CCCN(C)C2=O)nn1 ZINC000641085179 362208436 /nfs/dbraw/zinc/20/84/36/362208436.db2.gz CFTLLVTXZNEDQI-SCZZXKLOSA-N 0 3 237.307 0.481 20 0 BCADHN COC[C@@H](N)Cc1cn(CC2(C)CCC2)nn1 ZINC000641087528 362210350 /nfs/dbraw/zinc/21/03/50/362210350.db2.gz IDWBVVFMKLPBEF-JTQLQIEISA-N 0 3 238.335 0.985 20 0 BCADHN CC(C)[C@](C)(O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000335684095 136329686 /nfs/dbraw/zinc/32/96/86/136329686.db2.gz FIUAAXLBYDEPBG-AAEUAGOBSA-N 0 3 242.363 0.946 20 0 BCADHN O=C1NCC[C@@H]1N[C@@H]1Cc2cccc(O)c2C1 ZINC000335685218 136329854 /nfs/dbraw/zinc/32/98/54/136329854.db2.gz CSXLUSYAOXMTCI-KOLCDFICSA-N 0 3 232.283 0.338 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N(C)C2CCN(C)CC2)CO1 ZINC000335853639 344032648 /nfs/dbraw/zinc/03/26/48/344032648.db2.gz LFBVAOLTCWZXCN-MNOVXSKESA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)OCC[C@H](O)CN1CCN(C)C[C@H]1C ZINC000349188324 136331005 /nfs/dbraw/zinc/33/10/05/136331005.db2.gz BOBXTOLHSVWJJB-OLZOCXBDSA-N 0 3 244.379 0.798 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)c3ncc[nH]3)[C@@H]2C1 ZINC000616420711 343430098 /nfs/dbraw/zinc/43/00/98/343430098.db2.gz REPSFXVTLCDYLS-VHSXEESVSA-N 0 3 234.303 0.576 20 0 BCADHN COCC[C@H](C)n1cc(C[C@@H](N)COC)nn1 ZINC000641086525 362215252 /nfs/dbraw/zinc/21/52/52/362215252.db2.gz NYHBMYTYGNNZJX-VHSXEESVSA-N 0 3 242.323 0.392 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)Cn2cccn2)CCN1C ZINC000335705175 136335525 /nfs/dbraw/zinc/33/55/25/136335525.db2.gz JDKYNTOJYHEPQL-MNOVXSKESA-N 0 3 236.319 0.482 20 0 BCADHN CC[C@@H](C)NC(=O)CN[C@H](C)Cn1cccn1 ZINC000042269825 343432930 /nfs/dbraw/zinc/43/29/30/343432930.db2.gz IVKWBKSYJQWHFD-GHMZBOCLSA-N 0 3 238.335 0.776 20 0 BCADHN CN(C)CCNC(=O)C(C)(C)C(F)F ZINC000349296741 136338106 /nfs/dbraw/zinc/33/81/06/136338106.db2.gz HHVHJOKHMZXKBU-UHFFFAOYSA-N 0 3 208.252 0.956 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCC(C)(C)N(C)C ZINC000081899005 343433339 /nfs/dbraw/zinc/43/33/39/343433339.db2.gz PQNSUGAIFGOEJI-SECBINFHSA-N 0 3 236.381 0.349 20 0 BCADHN CC(C)C[C@H](CO)N[C@H](C)CS(C)(=O)=O ZINC000081900833 343434000 /nfs/dbraw/zinc/43/40/00/343434000.db2.gz KDADDCLOIVZEGT-NXEZZACHSA-N 0 3 237.365 0.416 20 0 BCADHN CC[C@@H](COC)N[C@@H](C)CS(C)(=O)=O ZINC000081901292 343434067 /nfs/dbraw/zinc/43/40/67/343434067.db2.gz QSIFFXMHDZXHSX-IUCAKERBSA-N 0 3 223.338 0.434 20 0 BCADHN CC[C@H](N)c1cn(Cc2ccnn2C)nn1 ZINC000641092972 362219750 /nfs/dbraw/zinc/21/97/50/362219750.db2.gz ZPTDUNUOCXTWFG-VIFPVBQESA-N 0 3 220.280 0.470 20 0 BCADHN CC[C@@H]1CCC[C@@H]1NCc1nnnn1C ZINC000379930426 365742711 /nfs/dbraw/zinc/74/27/11/365742711.db2.gz OENDJMWSAHOBMI-BDAKNGLRSA-N 0 3 209.297 0.878 20 0 BCADHN C[C@@H]1CN(C)CCN1C[C@H](O)COC(C)(C)C ZINC000349346747 136342678 /nfs/dbraw/zinc/34/26/78/136342678.db2.gz MISWESDGDIOCDL-NEPJUHHUSA-N 0 3 244.379 0.798 20 0 BCADHN C[C@H]1CN(C)CCN1C[C@@H](O)COC(C)(C)C ZINC000349346749 136342735 /nfs/dbraw/zinc/34/27/35/136342735.db2.gz MISWESDGDIOCDL-NWDGAFQWSA-N 0 3 244.379 0.798 20 0 BCADHN CCOC(=O)C[C@H](O)CN(CC)C1CC1 ZINC000135017474 343448566 /nfs/dbraw/zinc/44/85/66/343448566.db2.gz ZZOIGQSZLJXSKN-JTQLQIEISA-N 0 3 215.293 0.785 20 0 BCADHN CC1(C)CC[C@H](CN2C[C@@H](O)C[C@@H]2CO)O1 ZINC000360340413 343448764 /nfs/dbraw/zinc/44/87/64/343448764.db2.gz ZJKCGYVXCUMAHN-OUAUKWLOSA-N 0 3 229.320 0.372 20 0 BCADHN CC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000335858227 136356036 /nfs/dbraw/zinc/35/60/36/136356036.db2.gz DOEBBLXUNGEDLR-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN CCc1nc(Cn2cc([C@@H](N)CC)nn2)n[nH]1 ZINC000641157937 362242691 /nfs/dbraw/zinc/24/26/91/362242691.db2.gz CEZKHLSDXMTWIK-ZETCQYMHSA-N 0 3 235.295 0.417 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CC[C@H](C)C1 ZINC000135021737 343450294 /nfs/dbraw/zinc/45/02/94/343450294.db2.gz IIYLEYMTMSHFJQ-VHSXEESVSA-N 0 3 215.293 0.642 20 0 BCADHN C[C@@H](O)CCn1cc(CCN(C)C)nn1 ZINC000641095066 362221801 /nfs/dbraw/zinc/22/18/01/362221801.db2.gz UWKAJAQSBDJUJW-SECBINFHSA-N 0 3 212.297 0.153 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)CNC2CC2)[C@H](C)O1 ZINC000395064659 362226369 /nfs/dbraw/zinc/22/63/69/362226369.db2.gz AMKXIZOSTKTDAV-WEDXCCLWSA-N 0 3 212.293 0.421 20 0 BCADHN CCC[C@@H](N)c1cn(C[C@H](COC)OC)nn1 ZINC000641110183 362227738 /nfs/dbraw/zinc/22/77/38/362227738.db2.gz UCCQMWJZRPCSMA-NXEZZACHSA-N 0 3 242.323 0.739 20 0 BCADHN CO[C@H](C)[C@@H](C)NCC(=O)NCC(F)(F)F ZINC000166988820 136367323 /nfs/dbraw/zinc/36/73/23/136367323.db2.gz JNYJXRCRRXRXGZ-RNFRBKRXSA-N 0 3 242.241 0.678 20 0 BCADHN CCO[C@@H]1COCC[C@H]1NCc1cnnn1C ZINC000351581111 136369198 /nfs/dbraw/zinc/36/91/98/136369198.db2.gz MROWSVRIMGDNGL-GHMZBOCLSA-N 0 3 240.307 0.099 20 0 BCADHN C[C@@H](N[C@@H](C)Cn1cccn1)C(=O)NC1CC1 ZINC000042540261 343442160 /nfs/dbraw/zinc/44/21/60/343442160.db2.gz MEOIPQKREMXUNN-VHSXEESVSA-N 0 3 236.319 0.528 20 0 BCADHN CN(C(=O)C[C@@H]1CNCCO1)C(C)(C)C ZINC000259006853 136374330 /nfs/dbraw/zinc/37/43/30/136374330.db2.gz RLQCXIAFLUFNHG-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H](O)CCCNC(=O)CNC(C)C ZINC000398583141 488220431 /nfs/dbraw/zinc/22/04/31/488220431.db2.gz USYHXTKFLGIPNR-SNVBAGLBSA-N 0 3 216.325 0.652 20 0 BCADHN CCOCCC(=O)N1C[C@H](C)NC[C@H]1C ZINC000083118359 343473404 /nfs/dbraw/zinc/47/34/04/343473404.db2.gz SRUXRLGZPNOKSA-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1CN(C(=O)c2cscn2)[C@H](C)CN1 ZINC000083118137 343473621 /nfs/dbraw/zinc/47/36/21/343473621.db2.gz ZQQHFXCRPQJYIQ-HTQZYQBOSA-N 0 3 225.317 0.966 20 0 BCADHN Cc1cc(CC(=O)NC[C@H](C)N(C)C)on1 ZINC000616489290 343475158 /nfs/dbraw/zinc/47/51/58/343475158.db2.gz UWFJHGKPCJJBEE-VIFPVBQESA-N 0 3 225.292 0.592 20 0 BCADHN Cc1cc(CO)oc1C(=O)NC[C@H](C)N(C)C ZINC000616489165 343475385 /nfs/dbraw/zinc/47/53/85/343475385.db2.gz PNFWQKONUSJTLE-VIFPVBQESA-N 0 3 240.303 0.760 20 0 BCADHN CN1CCN(C(=O)Nc2ccccn2)[C@@H](CN)C1 ZINC000623066441 349810359 /nfs/dbraw/zinc/81/03/59/349810359.db2.gz HTFANVHHALTNES-JTQLQIEISA-N 0 3 249.318 0.188 20 0 BCADHN COCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC000582130627 346942548 /nfs/dbraw/zinc/94/25/48/346942548.db2.gz JEQCCIIJVFEWGX-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN COCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC000582130626 346942740 /nfs/dbraw/zinc/94/27/40/346942740.db2.gz JEQCCIIJVFEWGX-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1ncc[nH]1 ZINC000668198550 488221579 /nfs/dbraw/zinc/22/15/79/488221579.db2.gz UMFRWYRESNFTQW-UHFFFAOYSA-N 0 3 222.292 0.578 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(CCO)C(C)C ZINC000135025636 343487897 /nfs/dbraw/zinc/48/78/97/343487897.db2.gz VMHVMDFTMARVMD-SNVBAGLBSA-N 0 3 233.308 0.003 20 0 BCADHN OC[C@H]1CCN(C[C@H](O)C(F)(F)F)C1 ZINC000082681450 343460296 /nfs/dbraw/zinc/46/02/96/343460296.db2.gz ISZMXOSYHYOIOC-BQBZGAKWSA-N 0 3 213.199 0.224 20 0 BCADHN CN1CCN(C(=O)Nc2ccccn2)[C@H](CN)C1 ZINC000623066442 349810048 /nfs/dbraw/zinc/81/00/48/349810048.db2.gz HTFANVHHALTNES-SNVBAGLBSA-N 0 3 249.318 0.188 20 0 BCADHN Cc1c(F)cccc1NC(=O)[C@H]1C[C@@H](O)CN1 ZINC000043322104 343468279 /nfs/dbraw/zinc/46/82/79/343468279.db2.gz DJKNVNJRXDXUKH-LDYMZIIASA-N 0 3 238.262 0.795 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(CO)cc1)N(C)C ZINC000616488200 343470628 /nfs/dbraw/zinc/47/06/28/343470628.db2.gz YVHUFIQTSDXKJX-JTQLQIEISA-N 0 3 236.315 0.859 20 0 BCADHN CNC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000082944007 343472267 /nfs/dbraw/zinc/47/22/67/343472267.db2.gz NKISBHQJXFUVLF-QNSHHTMESA-N 0 3 212.293 0.136 20 0 BCADHN C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](C)N(C)C ZINC000616486848 343472346 /nfs/dbraw/zinc/47/23/46/343472346.db2.gz HRAZZVQDHQCAEC-ZJUUUORDSA-N 0 3 238.335 0.655 20 0 BCADHN Cc1ncc(CN[C@@H]2CCC[C@H]2O)n1C ZINC000570057895 323048719 /nfs/dbraw/zinc/04/87/19/323048719.db2.gz KDZOIVREWFCQPY-GHMZBOCLSA-N 0 3 209.293 0.732 20 0 BCADHN CNCC(=O)N[C@@H](C)c1cn(C)nc1C ZINC000083905673 343508911 /nfs/dbraw/zinc/50/89/11/343508911.db2.gz GQUUIOAPSFNZIZ-ZETCQYMHSA-N 0 3 210.281 0.125 20 0 BCADHN NCC(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000083916650 343508920 /nfs/dbraw/zinc/50/89/20/343508920.db2.gz RSZWSFZIGKLMCB-NSHDSACASA-N 0 3 220.272 0.625 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)CCOC ZINC000089634365 343510819 /nfs/dbraw/zinc/51/08/19/343510819.db2.gz VYVRZMHEJGUTKS-UWVGGRQHSA-N 0 3 237.365 0.824 20 0 BCADHN CCN(C#N)CCN[C@@H]1C[C@@H](O)C12CCC2 ZINC000602898801 349814994 /nfs/dbraw/zinc/81/49/94/349814994.db2.gz XLQPUPXOCQPDKI-GHMZBOCLSA-N 0 3 223.320 0.682 20 0 BCADHN C[C@@H]1OCC[C@@H]1Cn1cc(CCN(C)C)nn1 ZINC000641160885 362246323 /nfs/dbraw/zinc/24/63/23/362246323.db2.gz RFDRRAGWOQATJF-WDEREUQCSA-N 0 3 238.335 0.807 20 0 BCADHN Cc1nc(C)c(CNCCC(N)=O)s1 ZINC000084148939 343521228 /nfs/dbraw/zinc/52/12/28/343521228.db2.gz ZXWPGLKSLMMEPN-UHFFFAOYSA-N 0 3 213.306 0.725 20 0 BCADHN OCCN1CCC(c2ncccn2)CC1 ZINC000616619079 343523436 /nfs/dbraw/zinc/52/34/36/343523436.db2.gz BEYPTQHVWQMGSE-UHFFFAOYSA-N 0 3 207.277 0.648 20 0 BCADHN CC[C@](C)(CO)NCc1cc(C)nn1C ZINC000084244693 343526253 /nfs/dbraw/zinc/52/62/53/343526253.db2.gz XABSOGWAXJIPLW-LLVKDONJSA-N 0 3 211.309 0.979 20 0 BCADHN Cc1cc(CNC2CCOCC2)n(C)n1 ZINC000084244068 343526378 /nfs/dbraw/zinc/52/63/78/343526378.db2.gz KSXNLQWBDRUTPP-UHFFFAOYSA-N 0 3 209.293 0.997 20 0 BCADHN C[C@H](NC[C@@H]1CNCCO1)c1ccoc1 ZINC000580550948 365755778 /nfs/dbraw/zinc/75/57/78/365755778.db2.gz KQQRECLMVIMZKG-ONGXEEELSA-N 0 3 210.277 0.919 20 0 BCADHN COC[C@H](NC(=O)C1(N)CC1)C(C)C ZINC000083836531 343504372 /nfs/dbraw/zinc/50/43/72/343504372.db2.gz XTSSKZVVBAIHCW-QMMMGPOBSA-N 0 3 200.282 0.265 20 0 BCADHN CC(C(=O)NCC1CCC1)S(C)(=O)=O ZINC000048178461 343572259 /nfs/dbraw/zinc/57/22/59/343572259.db2.gz IWLYDLSGIMBJDH-ZETCQYMHSA-N 0 3 219.306 0.336 20 0 BCADHN CC(C(=O)NC[C@H]1C[C@H]1C)S(C)(=O)=O ZINC000048233395 343573236 /nfs/dbraw/zinc/57/32/36/343573236.db2.gz PBCHVXNARZQQJE-BWZBUEFSSA-N 0 3 219.306 0.192 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)c1cnn(C)c1 ZINC000622727936 343578311 /nfs/dbraw/zinc/57/83/11/343578311.db2.gz LIXZIFWJRSJGPG-NSHDSACASA-N 0 3 236.319 0.586 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2CCOC2)CC1 ZINC000622721145 343573952 /nfs/dbraw/zinc/57/39/52/343573952.db2.gz DVFRNMPMPMVUFL-SECBINFHSA-N 0 3 212.293 0.233 20 0 BCADHN CCCC(=O)NCC(=O)NCC1(N(C)C)CC1 ZINC000622721343 343574116 /nfs/dbraw/zinc/57/41/16/343574116.db2.gz MMFNYTSUWDJZKH-UHFFFAOYSA-N 0 3 241.335 0.113 20 0 BCADHN CC[C@H](O)CC(=O)NCC1(N(C)C)CC1 ZINC000622721621 343574379 /nfs/dbraw/zinc/57/43/79/343574379.db2.gz ZURJIYYSBDKMJO-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000622725222 343575217 /nfs/dbraw/zinc/57/52/17/343575217.db2.gz YAKBOUJPNRTBPL-LLVKDONJSA-N 0 3 241.335 0.065 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000622725194 343575546 /nfs/dbraw/zinc/57/55/46/343575546.db2.gz XWPHAQBSKRAWOR-LLVKDONJSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)CC2CN(C)C2)C1 ZINC000618190510 343551939 /nfs/dbraw/zinc/55/19/39/343551939.db2.gz VYYYLDFOEQSLCU-NSHDSACASA-N 0 3 239.363 0.348 20 0 BCADHN COC[C@@H](O)CN1CCS[C@H](C)[C@@H]1C ZINC000124468532 343559887 /nfs/dbraw/zinc/55/98/87/343559887.db2.gz KBCPKPYDPRZBAB-AEJSXWLSSA-N 0 3 219.350 0.820 20 0 BCADHN CNC(=O)CN[C@@H](CO)C1CCCCC1 ZINC000379963639 365767620 /nfs/dbraw/zinc/76/76/20/365767620.db2.gz XYFXYIYNYLXSAR-JTQLQIEISA-N 0 3 214.309 0.263 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)c1ccon1 ZINC000622727869 343578115 /nfs/dbraw/zinc/57/81/15/343578115.db2.gz IXVUSKKKRBYUBJ-SECBINFHSA-N 0 3 223.276 0.841 20 0 BCADHN CC[C@H](O)CCNC(=O)CN1CC[C@H](C)C1 ZINC000570174291 323052148 /nfs/dbraw/zinc/05/21/48/323052148.db2.gz VXFLZCFDBBTMNB-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)c1cnn(C)c1 ZINC000622727935 343578237 /nfs/dbraw/zinc/57/82/37/343578237.db2.gz LIXZIFWJRSJGPG-LLVKDONJSA-N 0 3 236.319 0.586 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@H]1CCN(C2CCC2)C1=O ZINC000623842878 343584619 /nfs/dbraw/zinc/58/46/19/343584619.db2.gz YWRIMFUJVYWSOY-DLOVCJGASA-N 0 3 238.331 0.907 20 0 BCADHN Cc1occc1CN(C)CCC(=O)NC(N)=O ZINC000049238270 343595109 /nfs/dbraw/zinc/59/51/09/343595109.db2.gz PFRRWWKTJASMPW-UHFFFAOYSA-N 0 3 239.275 0.605 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)Cc1cc[nH]n1 ZINC000622728381 343581405 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KGUKWTKLWNVYGC-PWSUYJOCSA-N 0 3 236.319 0.468 20 0 BCADHN COCCCN1CCN(Cc2cn[nH]c2)CC1 ZINC000625474578 343873888 /nfs/dbraw/zinc/87/38/88/343873888.db2.gz OYDGNGTXIJTXPI-UHFFFAOYSA-N 0 3 238.335 0.564 20 0 BCADHN CN(CCNC(=O)NCCCCO)C1CC1 ZINC000495010276 529914529 /nfs/dbraw/zinc/91/45/29/529914529.db2.gz WRPXWAGSBFFMIQ-UHFFFAOYSA-N 0 3 229.324 0.152 20 0 BCADHN CC(C)(F)CNC[C@H](O)Cn1cccn1 ZINC000634723518 343887176 /nfs/dbraw/zinc/88/71/76/343887176.db2.gz VMXWIPYLGCSFGD-VIFPVBQESA-N 0 3 215.272 0.582 20 0 BCADHN COC[C@@H](C)OC[C@@H](O)CNCC(C)(C)F ZINC000634723649 343890739 /nfs/dbraw/zinc/89/07/39/343890739.db2.gz ZXLLTCXPNHQQGV-ZJUUUORDSA-N 0 3 237.315 0.737 20 0 BCADHN CN(CC[C@@H]1CCCO1)C[C@@H]1CNC(=O)O1 ZINC000495588145 529931028 /nfs/dbraw/zinc/93/10/28/529931028.db2.gz KWAOEEPJHLFJLF-UWVGGRQHSA-N 0 3 228.292 0.596 20 0 BCADHN CN(CC[C@H]1CCCCO1)[C@@H]1COC[C@H]1O ZINC000512219486 529931865 /nfs/dbraw/zinc/93/18/65/529931865.db2.gz OGIVQFGIZCNHPC-IJLUTSLNSA-N 0 3 229.320 0.637 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CCSCC1 ZINC000040458986 187354720 /nfs/dbraw/zinc/35/47/20/187354720.db2.gz FCZNGTLLENFWSY-MRVPVSSYSA-N 0 3 216.350 0.935 20 0 BCADHN COc1ccc(CN2CC[C@@H](F)[C@H](N)C2)cn1 ZINC000621776453 343899074 /nfs/dbraw/zinc/89/90/74/343899074.db2.gz LJNQTNLOSYNDHZ-GHMZBOCLSA-N 0 3 239.294 0.961 20 0 BCADHN C[C@H](Cn1cncn1)NCc1cn[nH]c1 ZINC000393603893 343899557 /nfs/dbraw/zinc/89/95/57/343899557.db2.gz GYJNUDRQYJQBII-MRVPVSSYSA-N 0 3 206.253 0.180 20 0 BCADHN C[C@H]1CC[C@@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC000570549285 323062733 /nfs/dbraw/zinc/06/27/33/323062733.db2.gz OFEKZNQTEHKSDK-UWVGGRQHSA-N 0 3 239.319 0.169 20 0 BCADHN Cn1cc(CCN[C@@H]2CCn3ccnc32)cn1 ZINC000345355673 343907688 /nfs/dbraw/zinc/90/76/88/343907688.db2.gz SWJJLWIUPXQHDI-LLVKDONJSA-N 0 3 231.303 0.894 20 0 BCADHN Cn1cnc2c1ncnc2NC1CCN(C)CC1 ZINC000624497148 343911959 /nfs/dbraw/zinc/91/19/59/343911959.db2.gz YFDIUBOJTJTTDH-UHFFFAOYSA-N 0 3 246.318 0.869 20 0 BCADHN Nc1nc(N)nc(N2CCCC(F)(F)CC2)n1 ZINC000624521324 343939357 /nfs/dbraw/zinc/93/93/57/343939357.db2.gz CLBDXEWDGHLJTD-UHFFFAOYSA-N 0 3 244.249 0.322 20 0 BCADHN OC[C@H]1C[C@@H](NC[C@H](O)C(F)(F)F)C1 ZINC000634724996 343945703 /nfs/dbraw/zinc/94/57/03/343945703.db2.gz DALYRNWMWPTGRC-XVMARJQXSA-N 0 3 213.199 0.270 20 0 BCADHN CN(CCNc1ncnc2c1ncn2C)C1CC1 ZINC000624502887 343912694 /nfs/dbraw/zinc/91/26/94/343912694.db2.gz UHUHAQGUBQUPQM-UHFFFAOYSA-N 0 3 246.318 0.869 20 0 BCADHN C[C@H](CCO)N(C)CCc1cn(C)nn1 ZINC000625512842 343914259 /nfs/dbraw/zinc/91/42/59/343914259.db2.gz GPZZLXMVMYOEBU-SECBINFHSA-N 0 3 212.297 0.060 20 0 BCADHN CN(CCc1cn(C)nn1)Cc1cnc[nH]1 ZINC000625528800 343918737 /nfs/dbraw/zinc/91/87/37/343918737.db2.gz LTSWXEWPBZFERN-UHFFFAOYSA-N 0 3 220.280 0.213 20 0 BCADHN COC[C@@H](N)Cc1cn(CCSC)nn1 ZINC000603216634 349895545 /nfs/dbraw/zinc/89/55/45/349895545.db2.gz VSHNMJVZSHDGTQ-QMMMGPOBSA-N 0 3 230.337 0.157 20 0 BCADHN CCC[C@H](N)c1cn(Cc2cnnn2CC)nn1 ZINC000641176502 362254272 /nfs/dbraw/zinc/25/42/72/362254272.db2.gz CKSRNXAIARJOHV-JTQLQIEISA-N 0 3 249.322 0.738 20 0 BCADHN CCN1CCC(NC(=O)N(C)[C@H](C)CO)CC1 ZINC000128437359 347016338 /nfs/dbraw/zinc/01/63/38/347016338.db2.gz RPIULHXHCWVPFY-SNVBAGLBSA-N 0 3 243.351 0.493 20 0 BCADHN COc1nccc(CNCCCn2cncn2)n1 ZINC000395127212 362256732 /nfs/dbraw/zinc/25/67/32/362256732.db2.gz PARCQYHOKRNUOO-UHFFFAOYSA-N 0 3 248.290 0.257 20 0 BCADHN Cc1nn(C)c(N(C)C)c1CNC[C@H](C)CO ZINC000624511477 343923198 /nfs/dbraw/zinc/92/31/98/343923198.db2.gz JPFKEYBYUFRJIP-VIFPVBQESA-N 0 3 240.351 0.513 20 0 BCADHN CC[C@H](N)c1cn([C@@H](C)c2n[nH]c(C)n2)nn1 ZINC000641177754 362257398 /nfs/dbraw/zinc/25/73/98/362257398.db2.gz KEILYAAILICEPD-XPUUQOCRSA-N 0 3 235.295 0.724 20 0 BCADHN C[C@@H](O)CN1CCC(N2CCOCC2)CC1 ZINC000625544292 343931448 /nfs/dbraw/zinc/93/14/48/343931448.db2.gz NWIOPEIHFYSQQI-LLVKDONJSA-N 0 3 228.336 0.164 20 0 BCADHN CCOC[C@H](C)NC[C@@H]1CCCS1(=O)=O ZINC000090468582 343931831 /nfs/dbraw/zinc/93/18/31/343931831.db2.gz RHOULJGMHGVWKB-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN CC(C)CCN1CCCN(S(C)(=O)=O)CC1 ZINC000071874750 343972275 /nfs/dbraw/zinc/97/22/75/343972275.db2.gz QULYESLPHRFKEA-UHFFFAOYSA-N 0 3 248.392 1.000 20 0 BCADHN CCc1nc([C@@H](C)n2cc(CNC)nn2)n[nH]1 ZINC000641203342 362268431 /nfs/dbraw/zinc/26/84/31/362268431.db2.gz FEPFXILLCHMHSW-SSDOTTSWSA-N 0 3 235.295 0.287 20 0 BCADHN CCc1nnc([C@@H](C)n2cc(CNC)nn2)[nH]1 ZINC000641203342 362268435 /nfs/dbraw/zinc/26/84/35/362268435.db2.gz FEPFXILLCHMHSW-SSDOTTSWSA-N 0 3 235.295 0.287 20 0 BCADHN CC(=O)[C@@](C)(O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000641217910 362277919 /nfs/dbraw/zinc/27/79/19/362277919.db2.gz RUYNPCGJGBMMII-MNOVXSKESA-N 0 3 240.307 0.274 20 0 BCADHN CCO[C@H]1C[C@@H](NCC(N)=O)C12CCCC2 ZINC000082945557 362283275 /nfs/dbraw/zinc/28/32/75/362283275.db2.gz JQNMGWUAGHMHRH-ZJUUUORDSA-N 0 3 226.320 0.799 20 0 BCADHN CCC[C@H](CN[C@H]1CCCNC1=O)OC ZINC000395161190 362290439 /nfs/dbraw/zinc/29/04/39/362290439.db2.gz DMZDJWCLRKUBAZ-ZJUUUORDSA-N 0 3 214.309 0.670 20 0 BCADHN Cc1nn(C)cc1CNC[C@H](C)N(C)C ZINC000126025443 187283284 /nfs/dbraw/zinc/28/32/84/187283284.db2.gz STYCSWVQAFKYCY-VIFPVBQESA-N 0 3 210.325 0.768 20 0 BCADHN C[C@@H](CN1C[C@H](O)[C@@H](O)C1)c1ccccc1 ZINC000625722472 344056014 /nfs/dbraw/zinc/05/60/14/344056014.db2.gz JDMIIDJXXGKHHI-DRZSPHRISA-N 0 3 221.300 0.828 20 0 BCADHN CC(C)N(C)CC(=O)N1CCOC(C)(C)C1 ZINC000067573811 349900372 /nfs/dbraw/zinc/90/03/72/349900372.db2.gz MVYZSHODXLPKQV-UHFFFAOYSA-N 0 3 228.336 0.964 20 0 BCADHN CNCC(=O)NCCc1ccc(F)cc1F ZINC000077342087 344066273 /nfs/dbraw/zinc/06/62/73/344066273.db2.gz ZZSOLIPPLVMKCV-UHFFFAOYSA-N 0 3 228.242 0.843 20 0 BCADHN CC[C@@H](C(N)=O)N(C)CC1(C)COC1 ZINC000625788282 344072962 /nfs/dbraw/zinc/07/29/62/344072962.db2.gz NRHSYVOTHNNERD-QMMMGPOBSA-N 0 3 200.282 0.219 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCc1cnn(C)c1 ZINC000087765694 187286305 /nfs/dbraw/zinc/28/63/05/187286305.db2.gz UNUGFMIYSBRNRF-JTQLQIEISA-N 0 3 224.308 0.062 20 0 BCADHN C[C@@H]1CN(c2ncc(F)cn2)C[C@H](C)N1 ZINC000128450466 347025921 /nfs/dbraw/zinc/02/59/21/347025921.db2.gz HDPIZSCIWJRZFU-OCAPTIKFSA-N 0 3 210.256 0.802 20 0 BCADHN NC(=O)CN1CCNC[C@@H]1c1ccccc1 ZINC000115255745 347026168 /nfs/dbraw/zinc/02/61/68/347026168.db2.gz BMENDAKGNZNQED-LLVKDONJSA-N 0 3 219.288 0.118 20 0 BCADHN CCOC(=O)[C@@H](NC(=O)[C@H](N)CC)[C@H](C)CC ZINC000130092297 344111789 /nfs/dbraw/zinc/11/17/89/344111789.db2.gz YISGLSMEHFIWLZ-BBBLOLIVSA-N 0 3 244.335 0.818 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)C[C@@H]1CCCC[C@@H]1O ZINC000331297688 187358714 /nfs/dbraw/zinc/35/87/14/187358714.db2.gz DCZJOZBZDZLVQS-RWMBFGLXSA-N 0 3 243.347 0.809 20 0 BCADHN CC[C@](C)(N)c1cn(C[C@H](O)CSC)nn1 ZINC000603260675 349901945 /nfs/dbraw/zinc/90/19/45/349901945.db2.gz PZAXQORRWFAISF-WPRPVWTQSA-N 0 3 244.364 0.586 20 0 BCADHN CN(C[C@@H]1CN(C)C(=O)O1)[C@H]1CC[C@H](O)CC1 ZINC000495730902 529957383 /nfs/dbraw/zinc/95/73/83/529957383.db2.gz RQCHVJDHXIZDNL-GMTAPVOTSA-N 0 3 242.319 0.672 20 0 BCADHN CCc1cc(NC(=O)[C@H](N)CC)n(C)n1 ZINC000129900257 344087603 /nfs/dbraw/zinc/08/76/03/344087603.db2.gz KSJDMGYFRWUDAS-MRVPVSSYSA-N 0 3 210.281 0.658 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CCCOCC1 ZINC000306242674 344088089 /nfs/dbraw/zinc/08/80/89/344088089.db2.gz LVNBLOMUSABOAQ-DTWKUNHWSA-N 0 3 200.282 0.280 20 0 BCADHN O[C@H](CN(C1CC1)C1CC1)CN1CCOCC1 ZINC000625835289 344089228 /nfs/dbraw/zinc/08/92/28/344089228.db2.gz QTDBEHMCMYJJRF-ZDUSSCGKSA-N 0 3 240.347 0.306 20 0 BCADHN O[C@@H](CN(C1CC1)C1CC1)CN1CCOCC1 ZINC000625835288 344089433 /nfs/dbraw/zinc/08/94/33/344089433.db2.gz QTDBEHMCMYJJRF-CYBMUJFWSA-N 0 3 240.347 0.306 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(=O)[nH]cn1 ZINC000624611726 344102348 /nfs/dbraw/zinc/10/23/48/344102348.db2.gz ZXIXWOKYQLCDOD-MRVPVSSYSA-N 0 3 248.286 0.149 20 0 BCADHN C[C@@H](O)CN(C)[C@@H]1CCCCN(C)C1=O ZINC000634744380 344165245 /nfs/dbraw/zinc/16/52/45/344165245.db2.gz WQMAGOIKPGTWSD-NXEZZACHSA-N 0 3 214.309 0.310 20 0 BCADHN CCc1cnc(NC(=O)[C@H](CN)OC)s1 ZINC000261568384 344170259 /nfs/dbraw/zinc/17/02/59/344170259.db2.gz FMXTUVZLKGZSHI-ZETCQYMHSA-N 0 3 229.305 0.618 20 0 BCADHN CC(C)N1CC[C@@H](Nc2nccnc2C(N)=O)C1 ZINC000641311061 362358493 /nfs/dbraw/zinc/35/84/93/362358493.db2.gz LPXGRQYDHCXZSX-SECBINFHSA-N 0 3 249.318 0.470 20 0 BCADHN CC(C)N1CC[C@H](Nc2cc(C(N)=O)ncn2)C1 ZINC000641311945 362358742 /nfs/dbraw/zinc/35/87/42/362358742.db2.gz UIEYUEVEVRGPKG-VIFPVBQESA-N 0 3 249.318 0.470 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@H](OCC(C)C)C1 ZINC000130230808 344124367 /nfs/dbraw/zinc/12/43/67/344124367.db2.gz PJVQQEQSEFYFEB-WDEREUQCSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](C)Cn1ccnc1 ZINC000130372691 344133663 /nfs/dbraw/zinc/13/36/63/344133663.db2.gz LBVXRKSMTZVEIW-VHSXEESVSA-N 0 3 224.308 0.373 20 0 BCADHN Cn1cncc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634746251 344176906 /nfs/dbraw/zinc/17/69/06/344176906.db2.gz MGUFJEHXJKYXEL-AOOOYVTPSA-N 0 3 207.277 0.498 20 0 BCADHN CC[C@@H](N)C(=O)NCCn1cnnc1C(C)C ZINC000130542727 344147576 /nfs/dbraw/zinc/14/75/76/344147576.db2.gz ANEFGGGBGLBMNQ-SECBINFHSA-N 0 3 239.323 0.255 20 0 BCADHN CN(C)CCN(C(=O)CO)c1ccccc1 ZINC000082025217 344150505 /nfs/dbraw/zinc/15/05/05/344150505.db2.gz MVLSGKMZVZEQLV-UHFFFAOYSA-N 0 3 222.288 0.574 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@H](C)[C@H]1C ZINC000130630875 344151204 /nfs/dbraw/zinc/15/12/04/344151204.db2.gz XNZIUHDRWLGUCW-IWSPIJDZSA-N 0 3 200.282 0.360 20 0 BCADHN C/C=C\CNCc1ccc(S(N)(=O)=O)cc1 ZINC000309967079 344153576 /nfs/dbraw/zinc/15/35/76/344153576.db2.gz NXKNEOBGUCYYEJ-IHWYPQMZSA-N 0 3 240.328 1.000 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCOCC(F)(F)C1 ZINC000634739129 344155841 /nfs/dbraw/zinc/15/58/41/344155841.db2.gz JUULCZGBRMHYHX-QMMMGPOBSA-N 0 3 236.262 0.479 20 0 BCADHN C[C@H](CO)CN(C)[C@@H]1CCCCN(C)C1=O ZINC000634743471 344161733 /nfs/dbraw/zinc/16/17/33/344161733.db2.gz VCXRSMZZAJKOMW-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H]1CCN(CCNCc2cncn2C)C1 ZINC000381220579 344209711 /nfs/dbraw/zinc/20/97/11/344209711.db2.gz IQCLXDQRBICVSK-LLVKDONJSA-N 0 3 222.336 0.852 20 0 BCADHN CC(=O)CCC(=O)N[C@H](C)CN(C)C ZINC000130403536 344220552 /nfs/dbraw/zinc/22/05/52/344220552.db2.gz CXKXIAHCQCOTAA-MRVPVSSYSA-N 0 3 200.282 0.422 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1cscn1 ZINC000130487264 344221989 /nfs/dbraw/zinc/22/19/89/344221989.db2.gz ZEISPGMKZRIHLS-SSDOTTSWSA-N 0 3 213.306 0.823 20 0 BCADHN C[C@@H](O)CN1CCO[C@@H](C(F)F)CC1 ZINC000634758070 344224210 /nfs/dbraw/zinc/22/42/10/344224210.db2.gz HLJIBZSQSJXTCM-HTQZYQBOSA-N 0 3 209.236 0.723 20 0 BCADHN FC(F)[C@H]1CCN(CCc2c[nH]nn2)CCO1 ZINC000634758342 344226564 /nfs/dbraw/zinc/22/65/64/344226564.db2.gz NCVLZVGPYJDFFV-SECBINFHSA-N 0 3 246.261 0.703 20 0 BCADHN C[C@@H](CN(C)C(=O)CN)c1nccs1 ZINC000083931339 344185241 /nfs/dbraw/zinc/18/52/41/344185241.db2.gz DLJUEYJCTFCKQZ-ZETCQYMHSA-N 0 3 213.306 0.664 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CCC[C@H](N(C)C)C1 ZINC000171944986 344187964 /nfs/dbraw/zinc/18/79/64/344187964.db2.gz MNEVGDRFCUGUDJ-NEPJUHHUSA-N 0 3 241.379 0.927 20 0 BCADHN CCCSCC(=O)N[C@H](CO)CN(C)C ZINC000588866128 344196269 /nfs/dbraw/zinc/19/62/69/344196269.db2.gz BNEYVOIIEDSCLK-VIFPVBQESA-N 0 3 234.365 0.168 20 0 BCADHN CNCC(=O)N1CCO[C@H](C(F)F)CC1 ZINC000634752466 344204373 /nfs/dbraw/zinc/20/43/73/344204373.db2.gz MEMKQUPHRJFELC-ZETCQYMHSA-N 0 3 222.235 0.088 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000634752671 344205001 /nfs/dbraw/zinc/20/50/01/344205001.db2.gz QJAHERSKWZRMBU-YUMQZZPRSA-N 0 3 236.262 0.606 20 0 BCADHN CC(=O)N[C@H]1CCN(C[C@H](O)C(C)(C)C)C1 ZINC000304293170 187289909 /nfs/dbraw/zinc/28/99/09/187289909.db2.gz ZEZDUEMOMWWLFR-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000408222360 344260170 /nfs/dbraw/zinc/26/01/70/344260170.db2.gz ACBWTPIBASQBJU-IQJOONFLSA-N 0 3 241.335 0.110 20 0 BCADHN CCCN(CC(=O)NC)C[C@H]1CCOC1 ZINC000056508429 344297120 /nfs/dbraw/zinc/29/71/20/344297120.db2.gz PQBRTHHDBUCBOH-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN CCC[C@@](C)(O)CN[C@@H](C)CS(C)(=O)=O ZINC000132168928 344281800 /nfs/dbraw/zinc/28/18/00/344281800.db2.gz ZENPOOYPCVCUTH-VHSXEESVSA-N 0 3 237.365 0.560 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774368 344292630 /nfs/dbraw/zinc/29/26/30/344292630.db2.gz OOGOITPARGEYGL-ZNSHCXBVSA-N 0 3 226.320 0.465 20 0 BCADHN NC(=O)[C@@H]1CCCN1CCC[C@H]1CCOC1 ZINC000625869344 344242101 /nfs/dbraw/zinc/24/21/01/344242101.db2.gz IJELLXWZLCVWFE-QWRGUYRKSA-N 0 3 226.320 0.753 20 0 BCADHN O[C@H](CN1C[C@@H]2COC[C@@H]2C1)C(F)(F)F ZINC000634780046 344317042 /nfs/dbraw/zinc/31/70/42/344317042.db2.gz QJRBVZNNCWUHQQ-GJMOJQLCSA-N 0 3 225.210 0.488 20 0 BCADHN O=C(CN1C[C@@H]2COC[C@@H]2C1)NCC1CC1 ZINC000634780067 344317092 /nfs/dbraw/zinc/31/70/92/344317092.db2.gz QTFMUNBVGIMYOR-PHIMTYICSA-N 0 3 224.304 0.091 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634779952 344317671 /nfs/dbraw/zinc/31/76/71/344317671.db2.gz MLHNTTGTMAIGRN-PHIMTYICSA-N 0 3 226.320 0.431 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634781499 344322647 /nfs/dbraw/zinc/32/26/47/344322647.db2.gz CSXRDLLLKDGNRF-SDDRHHMPSA-N 0 3 240.347 0.820 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634782197 344324343 /nfs/dbraw/zinc/32/43/43/344324343.db2.gz FCXJNWLMGZSVKP-KKOKHZNYSA-N 0 3 240.347 0.868 20 0 BCADHN CN(C[C@H]1CN(C)C(=O)O1)C1(CO)CCC1 ZINC000495795247 529972373 /nfs/dbraw/zinc/97/23/73/529972373.db2.gz XSXLYGTVAIBMIU-SECBINFHSA-N 0 3 228.292 0.284 20 0 BCADHN CN(C[C@H]1CN(C)C(=O)O1)CC1(O)CCCC1 ZINC000496873352 529972508 /nfs/dbraw/zinc/97/25/08/529972508.db2.gz HKCJFSZCJJAPAG-JTQLQIEISA-N 0 3 242.319 0.674 20 0 BCADHN Cc1cc(CNCCCN2CCOCC2)on1 ZINC000158044636 344327689 /nfs/dbraw/zinc/32/76/89/344327689.db2.gz ZAOYIUXWRIERHE-UHFFFAOYSA-N 0 3 239.319 0.795 20 0 BCADHN CC(C)CNC(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000035735918 344331400 /nfs/dbraw/zinc/33/14/00/344331400.db2.gz BZMLMTLANCIADW-GHMZBOCLSA-N 0 3 228.336 0.916 20 0 BCADHN CCN1CCC[C@H]1CNc1ccc(C(N)=O)nn1 ZINC000095009348 344332539 /nfs/dbraw/zinc/33/25/39/344332539.db2.gz ZWBOJPSMRKFYKZ-VIFPVBQESA-N 0 3 249.318 0.472 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2nc(C)no2)nn1 ZINC000395260077 362383721 /nfs/dbraw/zinc/38/37/21/362383721.db2.gz IJKAMJOYPWSSJZ-SNVBAGLBSA-N 0 3 236.279 0.602 20 0 BCADHN C/C=C/CNC(=O)N[C@H]1CCCN(C)C1 ZINC000623716626 344355453 /nfs/dbraw/zinc/35/54/53/344355453.db2.gz URTVIULAFFONGE-FSIBCCDJSA-N 0 3 211.309 0.956 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634777994 344304327 /nfs/dbraw/zinc/30/43/27/344304327.db2.gz HYGVKPMNNLEZLW-PHIMTYICSA-N 0 3 226.320 0.433 20 0 BCADHN C[C@H](CCNCc1cnn(C)c1)[S@](C)=O ZINC000132600982 344305382 /nfs/dbraw/zinc/30/53/82/344305382.db2.gz BIYJJGROHXUACP-RFAUZJTJSA-N 0 3 229.349 0.667 20 0 BCADHN CCS(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000247530269 344308785 /nfs/dbraw/zinc/30/87/85/344308785.db2.gz OXRKVBCXGOTGGD-WDEREUQCSA-N 0 3 246.376 0.752 20 0 BCADHN CSC[C@@H](O)CNCc1n[nH]c(C2CC2)n1 ZINC000584286751 344420360 /nfs/dbraw/zinc/42/03/60/344420360.db2.gz FWJGMWQHLRBKFJ-QMMMGPOBSA-N 0 3 242.348 0.496 20 0 BCADHN C[C@H]1C[C@H](NC(=O)Cc2ccon2)CCN1C ZINC000408274504 344423335 /nfs/dbraw/zinc/42/33/35/344423335.db2.gz ZWAJMUBHZMFHMD-VHSXEESVSA-N 0 3 237.303 0.816 20 0 BCADHN CCOCC[C@H](O)CN1CCN(C)C(C)(C)C1 ZINC000570824189 323071789 /nfs/dbraw/zinc/07/17/89/323071789.db2.gz PPDZZMWOHXFVQT-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@H](F)C1 ZINC000584292734 344427890 /nfs/dbraw/zinc/42/78/90/344427890.db2.gz IAFREQMEOLSHLF-XSPKLOCKSA-N 0 3 200.257 0.731 20 0 BCADHN C[C@@H]1CN(CC(=O)N2CCNC2=O)C[C@H]1C ZINC000072869606 344378914 /nfs/dbraw/zinc/37/89/14/344378914.db2.gz PCGZQDSVHMOZTG-RKDXNWHRSA-N 0 3 225.292 0.126 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCCC(=O)OC ZINC000040859700 344408609 /nfs/dbraw/zinc/40/86/09/344408609.db2.gz RVIQKBOZJROYAO-APPZFPTMSA-N 0 3 216.281 0.039 20 0 BCADHN Cn1cc(NC(=O)C(C)(C)N)ccc1=O ZINC000040922946 344410821 /nfs/dbraw/zinc/41/08/21/344410821.db2.gz CBXHODKFOCDJKF-UHFFFAOYSA-N 0 3 209.249 0.061 20 0 BCADHN CC[N@H+](C)C[C@H](O)CNc1nc[n-]c(=O)c1C ZINC000584302152 344439019 /nfs/dbraw/zinc/43/90/19/344439019.db2.gz UMNBKMOOJLTFHT-SECBINFHSA-N 0 3 240.307 0.215 20 0 BCADHN CC[N@@H+](C)C[C@H](O)CNc1nc[n-]c(=O)c1C ZINC000584302152 344439021 /nfs/dbraw/zinc/43/90/21/344439021.db2.gz UMNBKMOOJLTFHT-SECBINFHSA-N 0 3 240.307 0.215 20 0 BCADHN COC(=O)[C@H](C)CN(C)C[C@@H]1CCCO1 ZINC000042338031 344450904 /nfs/dbraw/zinc/45/09/04/344450904.db2.gz XHOXRXHPENPUCY-ZJUUUORDSA-N 0 3 215.293 0.906 20 0 BCADHN CC[C@@H](O)CN1CCN(CC2CC2)CC1 ZINC000042490921 344455287 /nfs/dbraw/zinc/45/52/87/344455287.db2.gz KXPCKDBFXXVPCQ-GFCCVEGCSA-N 0 3 212.337 0.785 20 0 BCADHN CN(CCOCCO)C[C@@H]1CCCO1 ZINC000042465181 344455759 /nfs/dbraw/zinc/45/57/59/344455759.db2.gz ZAHXPPSERXMNFM-JTQLQIEISA-N 0 3 203.282 0.106 20 0 BCADHN CCN1CCC[C@H](NC(=O)[C@](C)(O)C(C)C)C1 ZINC000408299761 344471190 /nfs/dbraw/zinc/47/11/90/344471190.db2.gz WCSCNUAHGLGTRN-WCQYABFASA-N 0 3 242.363 0.994 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H](C(=O)OC)[C@@H](C)CC ZINC000037044964 344486503 /nfs/dbraw/zinc/48/65/03/344486503.db2.gz CEQRUEZLHXEWLG-GUBZILKMSA-N 0 3 244.335 0.818 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000037018228 344486893 /nfs/dbraw/zinc/48/68/93/344486893.db2.gz FZYHREWARIOLJF-YUMQZZPRSA-N 0 3 233.275 0.254 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000037033219 344486915 /nfs/dbraw/zinc/48/69/15/344486915.db2.gz GKWWROITCMKGDR-QMMMGPOBSA-N 0 3 235.287 0.674 20 0 BCADHN Cc1noc(CN2CCNC[C@H]2C(F)F)n1 ZINC000570844170 323072417 /nfs/dbraw/zinc/07/24/17/323072417.db2.gz ZSKBOXMBXSFRQF-ZETCQYMHSA-N 0 3 232.234 0.417 20 0 BCADHN CC1(C)CC[C@@H]1NC[C@H]1CS(=O)(=O)CCO1 ZINC000381272719 344494056 /nfs/dbraw/zinc/49/40/56/344494056.db2.gz WBQFHHVWBFIYOW-UWVGGRQHSA-N 0 3 247.360 0.578 20 0 BCADHN C[C@H](Cn1cncn1)NCc1cnn(C)c1 ZINC000381316288 344494955 /nfs/dbraw/zinc/49/49/55/344494955.db2.gz NDSSSOFZOSLBHU-SECBINFHSA-N 0 3 220.280 0.190 20 0 BCADHN COCCCN(C)CCNC(=O)C1CCC1 ZINC000152345080 344523517 /nfs/dbraw/zinc/52/35/17/344523517.db2.gz LXLZATGQLLVTRJ-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CCCC[C@H](N)C(=O)NCCCC(=O)OCC ZINC000081524150 344542528 /nfs/dbraw/zinc/54/25/28/344542528.db2.gz RRGQNTRZMJRUEZ-JTQLQIEISA-N 0 3 244.335 0.963 20 0 BCADHN C/C=C\CNC(=O)N[C@H](CN)C(F)(F)F ZINC000625898995 344551809 /nfs/dbraw/zinc/55/18/09/344551809.db2.gz HFDABIXDBXDWRV-VROIDLATSA-N 0 3 225.214 0.751 20 0 BCADHN CNC(=O)NC(=O)CN(C1CCC1)C1CCC1 ZINC000577569705 344568086 /nfs/dbraw/zinc/56/80/86/344568086.db2.gz AEABWFBNMNFWQK-UHFFFAOYSA-N 0 3 239.319 0.849 20 0 BCADHN CCCCN(CC(N)=O)C(=O)CNCC1CC1 ZINC000037812869 344591429 /nfs/dbraw/zinc/59/14/29/344591429.db2.gz YDTFIZZAOBNSKT-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000037815396 344591485 /nfs/dbraw/zinc/59/14/85/344591485.db2.gz CININPICVKXOIB-UTLUCORTSA-N 0 3 212.293 0.504 20 0 BCADHN C[C@@H]1CCCCN1CCNc1nnnn1C ZINC000309832270 259377881 /nfs/dbraw/zinc/37/78/81/259377881.db2.gz YXESXFYTRJMOJL-SECBINFHSA-N 0 3 224.312 0.496 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CCN(C2CC2)CC1 ZINC000037827012 344593403 /nfs/dbraw/zinc/59/34/03/344593403.db2.gz POKZJJALGPOUGA-LBPRGKRZSA-N 0 3 239.363 0.666 20 0 BCADHN C[C@@H](O)[C@@H](C)NCc1ccc(C(N)=O)cc1 ZINC000336778433 537850056 /nfs/dbraw/zinc/85/00/56/537850056.db2.gz LIOXONMVKGIHLY-RKDXNWHRSA-N 0 3 222.288 0.644 20 0 BCADHN CN(C)C1CN(c2ccc3nc[nH]c(=O)c3n2)C1 ZINC000641466592 362439977 /nfs/dbraw/zinc/43/99/77/362439977.db2.gz UATVDQBSMKABNX-UHFFFAOYSA-N 0 3 245.286 0.481 20 0 BCADHN C[C@@H](CO)CN1C[C@H](C)OC2(CCOCC2)C1 ZINC000684100036 488266929 /nfs/dbraw/zinc/26/69/29/488266929.db2.gz AKHDLAATLDVHNQ-NEPJUHHUSA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000037769225 344584491 /nfs/dbraw/zinc/58/44/91/344584491.db2.gz DTRFEYRVRKNDMY-ONGXEEELSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)N(C)CCNS(=O)(=O)N(C)C1CC1 ZINC000672842668 488267665 /nfs/dbraw/zinc/26/76/65/488267665.db2.gz FIJUSXXVTVPLNU-UHFFFAOYSA-N 0 3 249.380 0.255 20 0 BCADHN CCO[C@H](CCNC(=O)CN)C(C)C ZINC000121688682 537851224 /nfs/dbraw/zinc/85/12/24/537851224.db2.gz NCGYPKBFOWTJFV-SECBINFHSA-N 0 3 202.298 0.513 20 0 BCADHN COC(=O)[C@H]1CCN([C@H]2CCCOC2)C1 ZINC000259587884 344668507 /nfs/dbraw/zinc/66/85/07/344668507.db2.gz BZGVLRHKXKYDHP-UWVGGRQHSA-N 0 3 213.277 0.660 20 0 BCADHN OC[C@]12CCC[C@H]1CN(CCn1cncn1)C2 ZINC000626013212 344669239 /nfs/dbraw/zinc/66/92/39/344669239.db2.gz XNIMYNJMILVTOQ-NWDGAFQWSA-N 0 3 236.319 0.373 20 0 BCADHN CCOCCNC(=O)CN1C[C@H]2CCC[C@@H]2C1 ZINC000152705901 344676031 /nfs/dbraw/zinc/67/60/31/344676031.db2.gz GLYSPGQZDGHRDQ-VXGBXAGGSA-N 0 3 240.347 0.871 20 0 BCADHN CCCN1CCC(S(N)(=O)=O)CC1 ZINC000050350042 344677836 /nfs/dbraw/zinc/67/78/36/344677836.db2.gz JOIXPEYCFFIIGI-UHFFFAOYSA-N 0 3 206.311 0.149 20 0 BCADHN CN1CCC[C@H]1CNC(=O)c1cnccn1 ZINC000082279140 323075142 /nfs/dbraw/zinc/07/51/42/323075142.db2.gz IUNCHKBMRKTMAP-VIFPVBQESA-N 0 3 220.276 0.301 20 0 BCADHN CN(C)CCN(C)C(=O)c1cn(C2CC2)nn1 ZINC000625969838 344629441 /nfs/dbraw/zinc/62/94/41/344629441.db2.gz XFTMSQRKZZYQHT-UHFFFAOYSA-N 0 3 237.307 0.247 20 0 BCADHN COC[C@@H](O)CN(C)C[C@H]1CCCO1 ZINC000050117730 344722539 /nfs/dbraw/zinc/72/25/39/344722539.db2.gz VZBRYDXTDSRACL-VHSXEESVSA-N 0 3 203.282 0.105 20 0 BCADHN COCC(C)(C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000161528976 323076110 /nfs/dbraw/zinc/07/61/10/323076110.db2.gz KQXODMQPLSLQEO-GFCCVEGCSA-N 0 3 246.351 0.088 20 0 BCADHN CCC[C@H](O)CN1CCN(CC)CC1 ZINC000050193116 344731213 /nfs/dbraw/zinc/73/12/13/344731213.db2.gz NPGZZDMMFVUDOF-NSHDSACASA-N 0 3 200.326 0.785 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)C(C)(C)CO ZINC000574289764 344732597 /nfs/dbraw/zinc/73/25/97/344732597.db2.gz JDTWBOOSPFXQAX-UHFFFAOYSA-N 0 3 242.363 0.805 20 0 BCADHN CCN1CCC[C@@H]1CNCc1ncc[nH]1 ZINC000049714585 344683272 /nfs/dbraw/zinc/68/32/72/344683272.db2.gz FZJINWLTDNBNIK-SNVBAGLBSA-N 0 3 208.309 0.984 20 0 BCADHN CC(C)N(C)C(=O)CCOC1CNC1 ZINC000261528289 534964827 /nfs/dbraw/zinc/96/48/27/534964827.db2.gz MBDCSAUXVONYJB-UHFFFAOYSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@@H](C)CN1CCC(NS(N)(=O)=O)CC1 ZINC000626034846 344684956 /nfs/dbraw/zinc/68/49/56/344684956.db2.gz RLSMRATWYAODBF-SECBINFHSA-N 0 3 249.380 0.290 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000618264837 344685094 /nfs/dbraw/zinc/68/50/94/344685094.db2.gz CJBUQFHGFPZZPS-PJXYFTJBSA-N 0 3 242.363 0.804 20 0 BCADHN CNS(=O)(=O)C[C@@H]1CCCN1C[C@@H]1C[C@H]1C ZINC000488353102 530019338 /nfs/dbraw/zinc/01/93/38/530019338.db2.gz OXXXJOZPKYRUKD-VWYCJHECSA-N 0 3 246.376 0.656 20 0 BCADHN CNS(=O)(=O)C[C@@H]1CCCN1CC1CCC1 ZINC000494713581 530019422 /nfs/dbraw/zinc/01/94/22/530019422.db2.gz XQAZYEJXBWMYHC-NSHDSACASA-N 0 3 246.376 0.800 20 0 BCADHN CCO[C@@H]1C[C@@H](O)C12CCN(CCOC)CC2 ZINC000152781070 344692264 /nfs/dbraw/zinc/69/22/64/344692264.db2.gz WYEPTLOTODJHEK-VXGBXAGGSA-N 0 3 243.347 0.885 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)N(C)C[C@H]1C[C@@H](O)C1 ZINC000626043215 344694210 /nfs/dbraw/zinc/69/42/10/344694210.db2.gz JENUCNTVGOEIAZ-KXNHARMFSA-N 0 3 242.363 0.992 20 0 BCADHN CC(C)N1CC[C@H](N(C)C[C@H]2C[C@@H](O)C2)C1=O ZINC000626044479 344696690 /nfs/dbraw/zinc/69/66/90/344696690.db2.gz HARVCARWCXRNAR-TUAOUCFPSA-N 0 3 240.347 0.698 20 0 BCADHN CNC(=O)CN(CCO)C1CCCCC1 ZINC000049855121 344700238 /nfs/dbraw/zinc/70/02/38/344700238.db2.gz UNRASILZDBKNEH-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN COC(=O)[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000049956541 344703946 /nfs/dbraw/zinc/70/39/46/344703946.db2.gz NVRITSBFLOLLKR-LLVKDONJSA-N 0 3 228.336 0.822 20 0 BCADHN CC[C@H](C)NC(=O)CNC(C)(C)CC(N)=O ZINC000186233365 259379676 /nfs/dbraw/zinc/37/96/76/259379676.db2.gz HMGFOFGLVUUYNG-QMMMGPOBSA-N 0 3 229.324 0.145 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)CC1CCC1 ZINC000152903955 344713371 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O=C(NCc1nnc[nH]1)[C@H]1CCN1C1CCCC1 ZINC000635417523 345356831 /nfs/dbraw/zinc/35/68/31/345356831.db2.gz ISZMQRTUNHZTOU-SNVBAGLBSA-N 0 3 249.318 0.438 20 0 BCADHN C[C@H](C(=O)N[C@H]1CCN(C2CC2)C1)N(C)C ZINC000635422369 345358151 /nfs/dbraw/zinc/35/81/51/345358151.db2.gz LXQMPFTVTBNKOA-ZJUUUORDSA-N 0 3 225.336 0.289 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H](O)C1 ZINC000635479143 345389084 /nfs/dbraw/zinc/38/90/84/345389084.db2.gz FIKWWPFBNYFXQZ-GARJFASQSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)C[C@@H]1CSCCN1 ZINC000158721485 345367995 /nfs/dbraw/zinc/36/79/95/345367995.db2.gz AZUGRALUHNFNMV-NXEZZACHSA-N 0 3 246.376 0.311 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000635481400 345390342 /nfs/dbraw/zinc/39/03/42/345390342.db2.gz UJJQJNMMXHCGMQ-MXWKQRLJSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@H](CC(N)=O)NCc1cc(C(N)=O)cs1 ZINC000158896845 345386135 /nfs/dbraw/zinc/38/61/35/345386135.db2.gz WLGYJBDPRYELRY-ZCFIWIBFSA-N 0 3 241.316 0.201 20 0 BCADHN CCNC(=O)CN(CC)CCCOCC ZINC000158901605 345387293 /nfs/dbraw/zinc/38/72/93/345387293.db2.gz MJYJZTUPIQXYLA-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCc1ncc[nH]1 ZINC000159105556 345409747 /nfs/dbraw/zinc/40/97/47/345409747.db2.gz HCFLPMDXUBYYOA-SECBINFHSA-N 0 3 224.308 0.586 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1CC(=O)NCC1CC1 ZINC000159251297 345419918 /nfs/dbraw/zinc/41/99/18/345419918.db2.gz WPFMWDLNKZJDFE-JQWIXIFHSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H](NC(=O)C(=O)N[C@@H](C)CN)C1CCCC1 ZINC000418900926 192088563 /nfs/dbraw/zinc/08/85/63/192088563.db2.gz KVVOZKSILJMVOS-DTWKUNHWSA-N 0 3 241.335 0.145 20 0 BCADHN C[C@@H]1CC(C)(C)C[C@](CO)(NCC(N)=O)C1 ZINC000080898712 345453659 /nfs/dbraw/zinc/45/36/59/345453659.db2.gz OLCSOTSNGSEDLS-BXKDBHETSA-N 0 3 228.336 0.639 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1CC(=O)N(C)C ZINC000159356844 345426921 /nfs/dbraw/zinc/42/69/21/345426921.db2.gz NKWUYPMCKBVFEX-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN Cc1nnc2ccc(N(C)CCN(C)C)nn12 ZINC000080685022 345431324 /nfs/dbraw/zinc/43/13/24/345431324.db2.gz TVZVQNBCQGUBRP-UHFFFAOYSA-N 0 3 234.307 0.431 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1CC[C@H](O)[C@H](C)C1 ZINC000159463096 345437354 /nfs/dbraw/zinc/43/73/54/345437354.db2.gz MPIWGELRCXQOFK-WOPDTQHZSA-N 0 3 242.363 0.946 20 0 BCADHN OCCOCCN1CCS[C@@H]2COCC[C@H]21 ZINC000135558254 345445363 /nfs/dbraw/zinc/44/53/63/345445363.db2.gz XUNMXQXXOYVICO-GHMZBOCLSA-N 0 3 247.360 0.202 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H](CCO)C(C)C ZINC000159599344 345445374 /nfs/dbraw/zinc/44/53/74/345445374.db2.gz VMAYMANXJZMRDN-VHSXEESVSA-N 0 3 248.392 0.590 20 0 BCADHN CC(C(=O)NCCn1cccc1)S(C)(=O)=O ZINC000080791030 345447331 /nfs/dbraw/zinc/44/73/31/345447331.db2.gz HXIOPJWAIRTOAM-SECBINFHSA-N 0 3 244.316 0.037 20 0 BCADHN COC(=O)C(C)(C)CNC(=O)[C@@H]1CCCCN1 ZINC000158966326 345392944 /nfs/dbraw/zinc/39/29/44/345392944.db2.gz COEICFJHGOKCQB-VIFPVBQESA-N 0 3 242.319 0.444 20 0 BCADHN CCNC(=O)CN(CC)C[C@H]1CCCC[C@@H]1O ZINC000562478461 345396500 /nfs/dbraw/zinc/39/65/00/345396500.db2.gz HNVOPNZHCNLPIR-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](C(=O)NC[C@H](C)N1CCCC1)N(C)C ZINC000635503070 345403259 /nfs/dbraw/zinc/40/32/59/345403259.db2.gz KNJVRRLYLWWNCI-WDEREUQCSA-N 0 3 227.352 0.537 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)N2CCCNCC2)CCO1 ZINC000082239965 345496699 /nfs/dbraw/zinc/49/66/99/345496699.db2.gz JBGBNWUCRPTKRE-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)[N@H+](C)CC(=O)N[C@H](C)c1nnc[n-]1 ZINC000176233929 187306426 /nfs/dbraw/zinc/30/64/26/187306426.db2.gz DPNVHPUQGMNKTQ-MRVPVSSYSA-N 0 3 225.296 0.322 20 0 BCADHN Cc1nc[nH]c1C(=O)NC[C@H]1CCCN(C)C1 ZINC000635539030 345511945 /nfs/dbraw/zinc/51/19/45/345511945.db2.gz ABSVZVATQKACHJ-SNVBAGLBSA-N 0 3 236.319 0.790 20 0 BCADHN CC(C)[N@@H+](C)CC(=O)N[C@H](C)c1nnc[n-]1 ZINC000176233929 187306428 /nfs/dbraw/zinc/30/64/28/187306428.db2.gz DPNVHPUQGMNKTQ-MRVPVSSYSA-N 0 3 225.296 0.322 20 0 BCADHN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1ccco1 ZINC000336646175 187304443 /nfs/dbraw/zinc/30/44/43/187304443.db2.gz BCPGKBKTJHVIGH-MRVPVSSYSA-N 0 3 232.305 0.541 20 0 BCADHN CC[C@H]1CO[C@H](C)CN1C[C@H](O)COC ZINC000068891104 349930301 /nfs/dbraw/zinc/93/03/01/349930301.db2.gz DWZNDKYLWNUVTG-VWYCJHECSA-N 0 3 217.309 0.493 20 0 BCADHN CN(Cc1ccccc1)[C@@H]1CCN(CC(N)=O)C1 ZINC000081532567 345477094 /nfs/dbraw/zinc/47/70/94/345477094.db2.gz OXLGTRGOBGZTPS-CYBMUJFWSA-N 0 3 247.342 0.678 20 0 BCADHN CC[C@H](NC[C@]1(O)CCOC1)c1cnn(C)c1 ZINC000090849954 345577448 /nfs/dbraw/zinc/57/74/48/345577448.db2.gz SKUXECWESAXLGZ-NWDGAFQWSA-N 0 3 239.319 0.612 20 0 BCADHN OCCCN1CCCN(CC(F)F)CC1 ZINC000091083213 345578306 /nfs/dbraw/zinc/57/83/06/345578306.db2.gz BVNYBTJSDAKJAA-UHFFFAOYSA-N 0 3 222.279 0.642 20 0 BCADHN CN(C[C@@H]1CCCO1)CC1(CO)COC1 ZINC000089123700 345547822 /nfs/dbraw/zinc/54/78/22/345547822.db2.gz VEVAFOQNGRTVLX-JTQLQIEISA-N 0 3 215.293 0.106 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000089430322 345556079 /nfs/dbraw/zinc/55/60/79/345556079.db2.gz OAUPWYVWYFYSNY-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H](C)[C@H](O)C1)N(C)C ZINC000089430572 345556454 /nfs/dbraw/zinc/55/64/54/345556454.db2.gz PDSFCFYTVZTBTA-HBNTYKKESA-N 0 3 228.336 0.556 20 0 BCADHN CC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000089961157 345562363 /nfs/dbraw/zinc/56/23/63/345562363.db2.gz SSVJEHUVQGSQJW-KBPBESRZSA-N 0 3 248.326 0.758 20 0 BCADHN C[C@@H]1C[C@H](CO)CCN1CCc1cn(C)nn1 ZINC000626121391 345517604 /nfs/dbraw/zinc/51/76/04/345517604.db2.gz HYUREDPZDVZWJU-GHMZBOCLSA-N 0 3 238.335 0.450 20 0 BCADHN C[C@H](CNC(=O)C1CC(=O)C1)CN1CCCC1 ZINC000136517405 345519345 /nfs/dbraw/zinc/51/93/45/345519345.db2.gz SIGKTXFIIKYFFP-SNVBAGLBSA-N 0 3 238.331 0.814 20 0 BCADHN CN(CCO)CCOCC(F)(F)C(F)F ZINC000188708345 259383327 /nfs/dbraw/zinc/38/33/27/259383327.db2.gz HVIPWUGSTVNMKR-UHFFFAOYSA-N 0 3 233.205 0.828 20 0 BCADHN CCCCN(C)CCNC(=O)N(C)C[C@H](C)O ZINC000091220069 345594392 /nfs/dbraw/zinc/59/43/92/345594392.db2.gz GNGLYGBNZPMWFI-NSHDSACASA-N 0 3 245.367 0.741 20 0 BCADHN CCCCN(C)CCNC(=O)[C@H]1C[C@@H](O)C1 ZINC000635549906 345595044 /nfs/dbraw/zinc/59/50/44/345595044.db2.gz ANMNOGCPTSBDGZ-PHIMTYICSA-N 0 3 228.336 0.605 20 0 BCADHN CCC[C@H](N)c1cn([C@H](C)C(=O)OC)nn1 ZINC000600976919 345585453 /nfs/dbraw/zinc/58/54/53/345585453.db2.gz WPUYMEORLAUQAR-SFYZADRCSA-N 0 3 226.280 0.812 20 0 BCADHN Cc1cnn(C)c1CNCCc1cncn1C ZINC000401664701 362606709 /nfs/dbraw/zinc/60/67/09/362606709.db2.gz GMYZICYGGPOSDV-UHFFFAOYSA-N 0 3 233.319 0.794 20 0 BCADHN CN(CC(=O)N1CCN(C)CC1)CC(C)(C)C ZINC000093171013 345657957 /nfs/dbraw/zinc/65/79/57/345657957.db2.gz LVSGQCLDFHVDAS-UHFFFAOYSA-N 0 3 241.379 0.738 20 0 BCADHN OCc1ccnc(NCCN2CC[C@@H](O)C2)c1 ZINC000641687857 362608152 /nfs/dbraw/zinc/60/81/52/362608152.db2.gz MFPVBRWILPWFHL-LLVKDONJSA-N 0 3 237.303 0.052 20 0 BCADHN c1cnc(NC[C@H]2CSCCN2)nc1 ZINC000641688338 362608646 /nfs/dbraw/zinc/60/86/46/362608646.db2.gz YPQWOZYBACDMGK-QMMMGPOBSA-N 0 3 210.306 0.594 20 0 BCADHN Nc1cnccc1CNCCN1CCCC1 ZINC000641703261 362612166 /nfs/dbraw/zinc/61/21/66/362612166.db2.gz LHQMEWLGHAZIKW-UHFFFAOYSA-N 0 3 220.320 0.849 20 0 BCADHN Nc1cnccc1CNCCNC(=O)C1CC1 ZINC000641703517 362612960 /nfs/dbraw/zinc/61/29/60/362612960.db2.gz UTZIPMAQROYXTQ-UHFFFAOYSA-N 0 3 234.303 0.280 20 0 BCADHN Cc1ncc(CNCCN2CCC2)cn1 ZINC000336720810 187307924 /nfs/dbraw/zinc/30/79/24/187307924.db2.gz DCLRXFQECWNHLZ-UHFFFAOYSA-N 0 3 206.293 0.580 20 0 BCADHN NC(=O)C[C@H]1CCCCN1Cc1c[nH]cn1 ZINC000092588632 345640568 /nfs/dbraw/zinc/64/05/68/345640568.db2.gz MVWGVCWIJRGGNZ-SNVBAGLBSA-N 0 3 222.292 0.640 20 0 BCADHN NC(=O)C[C@H]1CCCCN1Cc1cnc[nH]1 ZINC000092588632 345640570 /nfs/dbraw/zinc/64/05/70/345640570.db2.gz MVWGVCWIJRGGNZ-SNVBAGLBSA-N 0 3 222.292 0.640 20 0 BCADHN C[C@H](CNCc1ccncc1N)N(C)C ZINC000641717275 362628650 /nfs/dbraw/zinc/62/86/50/362628650.db2.gz CUECFFSNSFFNRU-SECBINFHSA-N 0 3 208.309 0.704 20 0 BCADHN C[C@@H]1CC[C@H](N(C)CC(=O)N2CCOCC2)C1 ZINC000092872077 345646050 /nfs/dbraw/zinc/64/60/50/345646050.db2.gz VWTLILHBNCQRHI-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@H](C)CNCc1cn(CC(=O)OC)nn1 ZINC000093109672 345656583 /nfs/dbraw/zinc/65/65/83/345656583.db2.gz AMOUUQOTYKLFQC-VIFPVBQESA-N 0 3 240.307 0.587 20 0 BCADHN C[C@H](CO)[C@H](C)NCc1ccncc1N ZINC000641726154 362642698 /nfs/dbraw/zinc/64/26/98/362642698.db2.gz NMPNEYXDBMLAJM-BDAKNGLRSA-N 0 3 209.293 0.770 20 0 BCADHN Cc1ccc([C@H](N)C(=O)NCCN(C)C)cc1 ZINC000083362633 178905004 /nfs/dbraw/zinc/90/50/04/178905004.db2.gz VWGJRADMCUTLEQ-LBPRGKRZSA-N 0 3 235.331 0.673 20 0 BCADHN Cc1ccoc1C(=O)N[C@H](CO)CN(C)C ZINC000673521083 488292162 /nfs/dbraw/zinc/29/21/62/488292162.db2.gz KGEBMDMUSMYWFQ-VIFPVBQESA-N 0 3 226.276 0.240 20 0 BCADHN Cc1cccc(CN2C[C@@H](O)[C@@H](O)C2)c1C ZINC000093483640 345673402 /nfs/dbraw/zinc/67/34/02/345673402.db2.gz OXKSXRNRMPQSGK-BETUJISGSA-N 0 3 221.300 0.841 20 0 BCADHN Cc1ncccc1C(=O)N[C@@H](CO)CN(C)C ZINC000673519716 488292537 /nfs/dbraw/zinc/29/25/37/488292537.db2.gz DQXFSRCGPROCDO-SNVBAGLBSA-N 0 3 237.303 0.042 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]CC(C)(C)O)n1 ZINC000082687374 345680693 /nfs/dbraw/zinc/68/06/93/345680693.db2.gz BOUQNZDEGJNXLN-UHFFFAOYSA-N 0 3 210.277 0.956 20 0 BCADHN C[NH+](C)CCOc1ccccc1-c1nnn[n-]1 ZINC000095193172 345682861 /nfs/dbraw/zinc/68/28/61/345682861.db2.gz UAPHYQCGFOLYBL-UHFFFAOYSA-N 0 3 233.275 0.807 20 0 BCADHN C[NH+](C)CCOc1ccccc1-c1nn[n-]n1 ZINC000095193172 345682862 /nfs/dbraw/zinc/68/28/62/345682862.db2.gz UAPHYQCGFOLYBL-UHFFFAOYSA-N 0 3 233.275 0.807 20 0 BCADHN C[C@@H]([NH3+])CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095224542 345683894 /nfs/dbraw/zinc/68/38/94/345683894.db2.gz PIJKGGDUIDEWJJ-SSDOTTSWSA-N 0 3 246.274 0.543 20 0 BCADHN C[C@@H]([NH3+])CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095224542 345683899 /nfs/dbraw/zinc/68/38/99/345683899.db2.gz PIJKGGDUIDEWJJ-SSDOTTSWSA-N 0 3 246.274 0.543 20 0 BCADHN CC[C@@](C)(O)CNCc1ccncc1N ZINC000641719174 362634297 /nfs/dbraw/zinc/63/42/97/362634297.db2.gz GZFKVJRNDRKJHI-LLVKDONJSA-N 0 3 209.293 0.914 20 0 BCADHN Nc1cnccc1CN[C@H]1CCCOC1 ZINC000641719633 362635801 /nfs/dbraw/zinc/63/58/01/362635801.db2.gz XSFACEBNDUPREK-JTQLQIEISA-N 0 3 207.277 0.932 20 0 BCADHN CCC[C@H](O)CNCc1ccncc1N ZINC000641720476 362636648 /nfs/dbraw/zinc/63/66/48/362636648.db2.gz VQAPUNPTDJCSFP-JTQLQIEISA-N 0 3 209.293 0.914 20 0 BCADHN COCc1cc(CNC[C@@H](C)N(C)C)no1 ZINC000641717895 362638958 /nfs/dbraw/zinc/63/89/58/362638958.db2.gz RHEHIFDCXCLNNZ-SECBINFHSA-N 0 3 227.308 0.861 20 0 BCADHN C[C@H](CCCO)NCc1ccncc1N ZINC000641736104 362660302 /nfs/dbraw/zinc/66/03/02/362660302.db2.gz ZXSSSTDIXBEZNI-SECBINFHSA-N 0 3 209.293 0.914 20 0 BCADHN NC(=O)c1ccc(CN(CCO)CC2CC2)cc1 ZINC000143185926 345706024 /nfs/dbraw/zinc/70/60/24/345706024.db2.gz LMMQHQQJCHMJFM-UHFFFAOYSA-N 0 3 248.326 0.990 20 0 BCADHN CC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000145940293 345712372 /nfs/dbraw/zinc/71/23/72/345712372.db2.gz WFYPVSLRDOQXEE-GFCCVEGCSA-N 0 3 225.336 0.245 20 0 BCADHN C[C@@H](CC(C)(C)O)NC(=O)C1CCN(C)CC1 ZINC000622642117 345714200 /nfs/dbraw/zinc/71/42/00/345714200.db2.gz SHBXDWQTUAPCSB-JTQLQIEISA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](C(=O)NC[C@@H]1CCCN1C)N(C)C ZINC000635558452 345735690 /nfs/dbraw/zinc/73/56/90/345735690.db2.gz LFWMXKIJPYCUBU-ZJUUUORDSA-N 0 3 213.325 0.147 20 0 BCADHN CCCCO[C@H](C)C(=O)N[C@H](CO)CN(C)C ZINC000673523407 488293301 /nfs/dbraw/zinc/29/33/01/488293301.db2.gz WUVMPXARKNDYJY-MNOVXSKESA-N 0 3 246.351 0.230 20 0 BCADHN C[C@H](N)C(=O)NCc1n[nH]cc1Br ZINC000307528698 345807661 /nfs/dbraw/zinc/80/76/61/345807661.db2.gz TYKRKFUQIVOQPR-BYPYZUCNSA-N 0 3 247.096 0.136 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)c1ccccc1O ZINC000673522084 488293861 /nfs/dbraw/zinc/29/38/61/488293861.db2.gz HWOUSCABYLAGCC-SECBINFHSA-N 0 3 238.287 0.045 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)[C@@H](CC)CO ZINC000379055085 345775966 /nfs/dbraw/zinc/77/59/66/345775966.db2.gz MOANPKALGWKPRM-VHSXEESVSA-N 0 3 233.308 0.003 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)c1ccsc1 ZINC000673522743 488293744 /nfs/dbraw/zinc/29/37/44/488293744.db2.gz WAVHDOFVJIUGEZ-VIFPVBQESA-N 0 3 228.317 0.400 20 0 BCADHN COC[C@H](O)CNCCOc1cccc(C)c1 ZINC000069054233 349938596 /nfs/dbraw/zinc/93/85/96/349938596.db2.gz JOXSGOXAFICWON-GFCCVEGCSA-N 0 3 239.315 0.971 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)[C@@H](C)N(C)C ZINC000635573438 345827624 /nfs/dbraw/zinc/82/76/24/345827624.db2.gz UWWMTHOXFXQFLU-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN CC(=O)NC[C@H]1CCCCN1CCCCO ZINC000626156161 345871387 /nfs/dbraw/zinc/87/13/87/345871387.db2.gz GILCOTFJBTXYSK-GFCCVEGCSA-N 0 3 228.336 0.750 20 0 BCADHN C[C@H](O)CCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635581231 345877486 /nfs/dbraw/zinc/87/74/86/345877486.db2.gz RUOBFBSAOOVGIO-CMPLNLGQSA-N 0 3 240.347 0.890 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@@H](C)N(C)C ZINC000635592548 345885087 /nfs/dbraw/zinc/88/50/87/345885087.db2.gz VDBCWYAESJDGDW-NEPJUHHUSA-N 0 3 241.379 0.735 20 0 BCADHN CCN(C[C@H]1CN(C)C(=O)O1)[C@H]1CCOC1 ZINC000497086487 323097282 /nfs/dbraw/zinc/09/72/82/323097282.db2.gz ARZDBSHVUHEKEF-VHSXEESVSA-N 0 3 228.292 0.548 20 0 BCADHN Cc1nc[nH]c1C(=O)NCCN1CC[C@H](C)C1 ZINC000635635032 345909331 /nfs/dbraw/zinc/90/93/31/345909331.db2.gz JHWKUQCSNOROTA-VIFPVBQESA-N 0 3 236.319 0.790 20 0 BCADHN CC(=O)NC[C@H]1CCCCN1C[C@@H](C)O ZINC000626159449 345912794 /nfs/dbraw/zinc/91/27/94/345912794.db2.gz NOIRBPOFYJOTCW-MWLCHTKSSA-N 0 3 214.309 0.358 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1CC[C@@](C)(O)C1 ZINC000177977348 345913137 /nfs/dbraw/zinc/91/31/37/345913137.db2.gz NDBJJYWXWNBOQM-CMPLNLGQSA-N 0 3 228.336 0.698 20 0 BCADHN C[C@H](C(=O)N1CCNC(C)(C)C1)N(C)C ZINC000635644177 345919271 /nfs/dbraw/zinc/91/92/71/345919271.db2.gz DAOMFIKMYAEDSY-SECBINFHSA-N 0 3 213.325 0.147 20 0 BCADHN CCO[C@@H]1C[C@H]1N[C@@H](CC)Cn1cncn1 ZINC000381447831 345921234 /nfs/dbraw/zinc/92/12/34/345921234.db2.gz GJVFMCQPWKQKFX-HBNTYKKESA-N 0 3 224.308 0.824 20 0 BCADHN CCN1C[C@H](NCc2ccc(=O)[nH]c2)CC1=O ZINC000631151807 345921649 /nfs/dbraw/zinc/92/16/49/345921649.db2.gz PVCILFKQOIRJPC-SNVBAGLBSA-N 0 3 235.287 0.498 20 0 BCADHN CC[C@H](C)C[C@@H](NC(=O)[C@@H](C)N)C(=O)OC ZINC000563169091 323099679 /nfs/dbraw/zinc/09/96/79/323099679.db2.gz FKNVTOHKFRLLDJ-DJLDLDEBSA-N 0 3 230.308 0.428 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1CCCOCC1 ZINC000183056435 187361459 /nfs/dbraw/zinc/36/14/59/187361459.db2.gz LDSRWWIDRBANND-UWVGGRQHSA-N 0 3 214.309 0.655 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCCCC1 ZINC000166931302 345951893 /nfs/dbraw/zinc/95/18/93/345951893.db2.gz NAWOFSRNKWTASP-SNVBAGLBSA-N 0 3 215.293 0.786 20 0 BCADHN CC[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H](C)N1 ZINC000620898161 345981349 /nfs/dbraw/zinc/98/13/49/345981349.db2.gz QDUKKYGBKIRTQI-CMPLNLGQSA-N 0 3 248.330 0.618 20 0 BCADHN CN1CCC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC000234313788 537929261 /nfs/dbraw/zinc/92/92/61/537929261.db2.gz HSBNVWRQAKIVMC-SECBINFHSA-N 0 3 235.287 0.199 20 0 BCADHN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)N(C)C)n[nH]1 ZINC000635705846 345992389 /nfs/dbraw/zinc/99/23/89/345992389.db2.gz CYCWRZSMNQAWDT-PSASIEDQSA-N 0 3 238.335 0.715 20 0 BCADHN CN(C)CCN(C)c1ccc(C(N)=O)cn1 ZINC000147126261 346002317 /nfs/dbraw/zinc/00/23/17/346002317.db2.gz VRBGRSHIKCSRDZ-UHFFFAOYSA-N 0 3 222.292 0.178 20 0 BCADHN C([C@H]1CCOC1)N1CCO[C@@]2(CCOC2)C1 ZINC000346132903 187363161 /nfs/dbraw/zinc/36/31/61/187363161.db2.gz ALXBHPODBPECQX-NEPJUHHUSA-N 0 3 227.304 0.514 20 0 BCADHN COc1nnc(NC(=O)C[C@H]2CC[N@H+](C)C2)[n-]1 ZINC000635757776 346051995 /nfs/dbraw/zinc/05/19/95/346051995.db2.gz KQBCTEMYPTUGRU-SSDOTTSWSA-N 0 3 239.279 0.094 20 0 BCADHN COc1nnc(NC(=O)C[C@H]2CC[N@@H+](C)C2)[n-]1 ZINC000635757776 346051997 /nfs/dbraw/zinc/05/19/97/346051997.db2.gz KQBCTEMYPTUGRU-SSDOTTSWSA-N 0 3 239.279 0.094 20 0 BCADHN COc1nc(NC(=O)C[C@H]2CC[N@H+](C)C2)n[n-]1 ZINC000635757776 346052001 /nfs/dbraw/zinc/05/20/01/346052001.db2.gz KQBCTEMYPTUGRU-SSDOTTSWSA-N 0 3 239.279 0.094 20 0 BCADHN COc1nc(NC(=O)C[C@H]2CC[N@@H+](C)C2)n[n-]1 ZINC000635757776 346052003 /nfs/dbraw/zinc/05/20/03/346052003.db2.gz KQBCTEMYPTUGRU-SSDOTTSWSA-N 0 3 239.279 0.094 20 0 BCADHN CCSCCN1CCC(O)(CO)CC1 ZINC000313657970 346055222 /nfs/dbraw/zinc/05/52/22/346055222.db2.gz CWQJRJYVNKJECA-UHFFFAOYSA-N 0 3 219.350 0.559 20 0 BCADHN CN(C)CC1(C(=O)NCC(=O)C2CC2)CC1 ZINC000635782070 346057247 /nfs/dbraw/zinc/05/72/47/346057247.db2.gz XECRBIGRQJGZDN-UHFFFAOYSA-N 0 3 224.304 0.424 20 0 BCADHN C[C@H](C(=O)NCC1=CCN(C)CC1)N(C)C ZINC000635769162 346058896 /nfs/dbraw/zinc/05/88/96/346058896.db2.gz HKJFFFPJXBPMNX-SNVBAGLBSA-N 0 3 225.336 0.315 20 0 BCADHN CC(C)(C)CNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000419023809 192095072 /nfs/dbraw/zinc/09/50/72/192095072.db2.gz POBICIUJXGGPNU-SECBINFHSA-N 0 3 241.335 0.002 20 0 BCADHN CN(C(=O)C[C@@H]1CNCCO1)c1nccs1 ZINC000575398370 346030559 /nfs/dbraw/zinc/03/05/59/346030559.db2.gz JLFGCHAIMVISLF-MRVPVSSYSA-N 0 3 241.316 0.484 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000381485404 346034556 /nfs/dbraw/zinc/03/45/56/346034556.db2.gz VAMFZTFLICKOCH-UYNUJQBQSA-N 0 3 232.349 0.141 20 0 BCADHN CN1CCC[C@H](NC(=O)CCn2ccnc2)C1 ZINC000586754190 346060706 /nfs/dbraw/zinc/06/07/06/346060706.db2.gz YMYUIESIOULUHE-NSHDSACASA-N 0 3 236.319 0.484 20 0 BCADHN CC(C)(C)CNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000419023810 192094700 /nfs/dbraw/zinc/09/47/00/192094700.db2.gz POBICIUJXGGPNU-VIFPVBQESA-N 0 3 241.335 0.002 20 0 BCADHN O=C([C@H]1CCN1C1CCCC1)N1CC(CO)C1 ZINC000635805307 346072108 /nfs/dbraw/zinc/07/21/08/346072108.db2.gz CJWLMIMUDKAAJL-GFCCVEGCSA-N 0 3 238.331 0.454 20 0 BCADHN Cn1cncc1CCCN1CC[C@H](O)C1 ZINC000313986200 323105099 /nfs/dbraw/zinc/10/50/99/323105099.db2.gz JSZSQAJOJNPXNE-NSHDSACASA-N 0 3 209.293 0.419 20 0 BCADHN Cc1nc[nH]c1C(=O)NCC1(N(C)C)CCC1 ZINC000635835897 346081993 /nfs/dbraw/zinc/08/19/93/346081993.db2.gz ZCMSRWRPYMWSCH-UHFFFAOYSA-N 0 3 236.319 0.932 20 0 BCADHN CO[C@@H]1CCC[C@H](N[C@H]2CCS(=O)(=O)C2)C1 ZINC000250479725 537940269 /nfs/dbraw/zinc/94/02/69/537940269.db2.gz VPUDIYCPLSPSSF-GARJFASQSA-N 0 3 247.360 0.721 20 0 BCADHN CCNC(=O)CC(=O)NC1CCN(CC)CC1 ZINC000149282898 346100091 /nfs/dbraw/zinc/10/00/91/346100091.db2.gz UCXOZJVRWZIBID-UHFFFAOYSA-N 0 3 241.335 0.113 20 0 BCADHN CN1CC[C@H](CC(=O)NCC(=O)C2CC2)C1 ZINC000635778724 346062829 /nfs/dbraw/zinc/06/28/29/346062829.db2.gz QUBZIWJIODUNKX-SECBINFHSA-N 0 3 224.304 0.424 20 0 BCADHN CC(C)=C(C)CC(=O)N[C@H](CO)CN(C)C ZINC000635929862 346111539 /nfs/dbraw/zinc/11/15/39/346111539.db2.gz YMWBQNDTVQFFPL-NSHDSACASA-N 0 3 228.336 0.772 20 0 BCADHN CC[C@@]1(C(C)C)C[C@@H]1NC(=O)C(=O)NCCN ZINC000418997329 192096757 /nfs/dbraw/zinc/09/67/57/192096757.db2.gz UARKJXHAZSMGCT-CABZTGNLSA-N 0 3 241.335 0.002 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1coc(CO)c1 ZINC000635928403 346117698 /nfs/dbraw/zinc/11/76/98/346117698.db2.gz FXNZRVQHEOCUCC-QMMMGPOBSA-N 0 3 226.276 0.452 20 0 BCADHN CCc1cc(C(=O)N[C@@H](C)CN(C)C)n(C)n1 ZINC000635928360 346117871 /nfs/dbraw/zinc/11/78/71/346117871.db2.gz FHNUWHUMTQTPDY-VIFPVBQESA-N 0 3 238.335 0.662 20 0 BCADHN CC(C)=C(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000635947953 346120088 /nfs/dbraw/zinc/12/00/88/346120088.db2.gz GFKUFEZVRYHTGE-RYUDHWBXSA-N 0 3 240.347 0.866 20 0 BCADHN CCc1cc(C(=O)N2CCN3CC[C@H]2C3)n(C)n1 ZINC000635976638 346130466 /nfs/dbraw/zinc/13/04/66/346130466.db2.gz XYXNQLJIPZELJR-NSHDSACASA-N 0 3 248.330 0.513 20 0 BCADHN C=Cn1cc(CN2CC[C@](C)(O)C2)cn1 ZINC000194049328 187315862 /nfs/dbraw/zinc/31/58/62/187315862.db2.gz IBTXGKGPOVNJDF-NSHDSACASA-N 0 3 207.277 0.940 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@@H]1CCCOC1 ZINC000188476555 537945737 /nfs/dbraw/zinc/94/57/37/537945737.db2.gz LCXOWULQYZWJNY-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CN(CC(=O)N[C@H]1C[C@@](C)(O)C1)CC(C)(C)C ZINC000636034043 346170730 /nfs/dbraw/zinc/17/07/30/346170730.db2.gz FYXGJKIFEWEDPB-GSJFWJNXSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C(=O)CN(C)CC(C)(C)C ZINC000635998436 346150240 /nfs/dbraw/zinc/15/02/40/346150240.db2.gz GPYSALHJBURXLP-GHMZBOCLSA-N 0 3 242.363 0.946 20 0 BCADHN CN(CC(=O)N1CCC12COC2)CC(C)(C)C ZINC000636000393 346150829 /nfs/dbraw/zinc/15/08/29/346150829.db2.gz YJYQIYPQOUIFIT-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CC1(C)CCCN1CCNC(=O)[C@H]1C[C@@H](O)C1 ZINC000636010935 346153194 /nfs/dbraw/zinc/15/31/94/346153194.db2.gz SMUBIYJJHVHXQG-PHIMTYICSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H](C(=O)NCc1ccc2cncn2c1)N(C)C ZINC000636017503 346157605 /nfs/dbraw/zinc/15/76/05/346157605.db2.gz ZHJWWFPRPVKHQM-SNVBAGLBSA-N 0 3 246.314 0.901 20 0 BCADHN Cc1ncc(CNC[C@]2(O)CCN(C)C2)o1 ZINC000628239642 346200251 /nfs/dbraw/zinc/20/02/51/346200251.db2.gz ZGJWDIZZGKSPMG-LLVKDONJSA-N 0 3 225.292 0.139 20 0 BCADHN CNC(=O)CCCNCc1oc(C)nc1C ZINC000311872367 346195892 /nfs/dbraw/zinc/19/58/92/346195892.db2.gz URYIGEDDQCBJDK-UHFFFAOYSA-N 0 3 225.292 0.907 20 0 BCADHN CC(C)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000679067909 488305743 /nfs/dbraw/zinc/30/57/43/488305743.db2.gz VMSALCXVMFIGRP-ONGXEEELSA-N 0 3 236.319 0.912 20 0 BCADHN CCOC[C@H](O)CNCc1ccnc(OC)c1 ZINC000069278645 349943668 /nfs/dbraw/zinc/94/36/68/349943668.db2.gz KUGARZYYWUGUIS-LLVKDONJSA-N 0 3 240.303 0.577 20 0 BCADHN Cc1c(N)ncn(CCN2CCCCC2)c1=O ZINC000419047507 192098769 /nfs/dbraw/zinc/09/87/69/192098769.db2.gz YDZBSWWJHOESSG-UHFFFAOYSA-N 0 3 236.319 0.620 20 0 BCADHN Cc1ncc(CNC[C@]2(O)CCO[C@@H]2C)o1 ZINC000628254596 346239297 /nfs/dbraw/zinc/23/92/97/346239297.db2.gz IERSAXNXBTYWFG-LDYMZIIASA-N 0 3 226.276 0.613 20 0 BCADHN Cc1ncc(CNC[C@@]2(O)CCO[C@H]2C)o1 ZINC000628254595 346239440 /nfs/dbraw/zinc/23/94/40/346239440.db2.gz IERSAXNXBTYWFG-KWQFWETISA-N 0 3 226.276 0.613 20 0 BCADHN Cc1ncc(CN2CC[C@](C)(C(N)=O)C2)o1 ZINC000628256836 346255639 /nfs/dbraw/zinc/25/56/39/346255639.db2.gz NXFVXJHQOXBJLK-NSHDSACASA-N 0 3 223.276 0.680 20 0 BCADHN CCN(C(=O)c1ncc[nH]1)[C@@H]1CCN(CC)C1 ZINC000617922943 346258627 /nfs/dbraw/zinc/25/86/27/346258627.db2.gz VYRIGMNXFOSKKR-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN CCNC(=O)CN1CCc2ccccc2[C@H]1CN ZINC000069311768 349945385 /nfs/dbraw/zinc/94/53/85/349945385.db2.gz NUABNEXNIJWUSN-CYBMUJFWSA-N 0 3 247.342 0.681 20 0 BCADHN CN(C(=O)C1CSC1)[C@H]1CCCN(C)C1 ZINC000631486403 346278765 /nfs/dbraw/zinc/27/87/65/346278765.db2.gz AACXLDCRSKNNND-JTQLQIEISA-N 0 3 228.361 0.902 20 0 BCADHN C[C@H](CO)N[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132117807 347089762 /nfs/dbraw/zinc/08/97/62/347089762.db2.gz OCLNGYNQVLVZST-BBBLOLIVSA-N 0 3 235.349 0.313 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000152892974 346279389 /nfs/dbraw/zinc/27/93/89/346279389.db2.gz ROHLHQAGFOUQKG-GMSGAONNSA-N 0 3 224.308 0.503 20 0 BCADHN CCOC(=O)C[C@H](C)CNC(=O)[C@H](N)CC ZINC000152930365 346280761 /nfs/dbraw/zinc/28/07/61/346280761.db2.gz PAVWWVVVNIHXJO-DTWKUNHWSA-N 0 3 230.308 0.429 20 0 BCADHN C[C@H](C[C@H](C)O)NCc1ccncc1N ZINC000641748027 362675685 /nfs/dbraw/zinc/67/56/85/362675685.db2.gz SFRCNSFPMJLXKE-BDAKNGLRSA-N 0 3 209.293 0.913 20 0 BCADHN C[C@@](O)(CO)CNCc1ccc2c(n1)CCC2 ZINC000641752537 362677642 /nfs/dbraw/zinc/67/76/42/362677642.db2.gz GXTHUHHPSMKEMF-ZDUSSCGKSA-N 0 3 236.315 0.403 20 0 BCADHN Cc1cccc(C)c1CN1C[C@@H](O)[C@@H](O)C1 ZINC000147502070 179034537 /nfs/dbraw/zinc/03/45/37/179034537.db2.gz DRTWUESTZFZBSC-BETUJISGSA-N 0 3 221.300 0.841 20 0 BCADHN COC[C@H](CO)NCc1ccccc1N(C)C ZINC000641751388 362679713 /nfs/dbraw/zinc/67/97/13/362679713.db2.gz WNQYVTMMXUNXHZ-LBPRGKRZSA-N 0 3 238.331 0.850 20 0 BCADHN CSC[C@@H](CCO)NCc1ccncc1N ZINC000603425071 349949369 /nfs/dbraw/zinc/94/93/69/349949369.db2.gz VYFJKJLKUFQTJJ-SNVBAGLBSA-N 0 3 241.360 0.867 20 0 BCADHN CN(CC1CCCC1)[C@@H]1CC(=O)NC1=O ZINC000563347473 323119821 /nfs/dbraw/zinc/11/98/21/323119821.db2.gz BBZGBTVRTKTOAY-SECBINFHSA-N 0 3 210.277 0.524 20 0 BCADHN CCn1nnc(C)c1CN[C@H](CO)CCOC ZINC000641762513 362693134 /nfs/dbraw/zinc/69/31/34/362693134.db2.gz GMVPCWDXHCXDRH-JTQLQIEISA-N 0 3 242.323 0.093 20 0 BCADHN CCC[C@@H](O)[C@@H](CO)NCc1ccncc1N ZINC000641762757 362694159 /nfs/dbraw/zinc/69/41/59/362694159.db2.gz OATPIGXDDIDMHR-VXGBXAGGSA-N 0 3 239.319 0.275 20 0 BCADHN Cc1cccc(C)c1OCCNC(=O)CN ZINC000041240581 179046628 /nfs/dbraw/zinc/04/66/28/179046628.db2.gz DJULMXDKESQWRH-UHFFFAOYSA-N 0 3 222.288 0.757 20 0 BCADHN CCN(C(=O)[C@H](C)O)[C@H]1CCN(CC)C1 ZINC000617926016 346324795 /nfs/dbraw/zinc/32/47/95/346324795.db2.gz XFRJXISLNPDYFZ-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1(O)CCC1 ZINC000332943699 537966934 /nfs/dbraw/zinc/96/69/34/537966934.db2.gz MXKVWXINKBKERM-GXSJLCMTSA-N 0 3 238.331 0.500 20 0 BCADHN O=C(NC/C=C/CO)[C@H]1CCN1C1CCCC1 ZINC000636171852 346345137 /nfs/dbraw/zinc/34/51/37/346345137.db2.gz QWPHUSKTVDEBPO-AAOUONPWSA-N 0 3 238.331 0.668 20 0 BCADHN C[C@@H]1C[C@@H](NCc2ccncc2N)CO1 ZINC000641766537 362699158 /nfs/dbraw/zinc/69/91/58/362699158.db2.gz AIFUHPKHXLAMLJ-PSASIEDQSA-N 0 3 207.277 0.931 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000636223548 346359330 /nfs/dbraw/zinc/35/93/30/346359330.db2.gz HPQBHRRBZIGHAG-GARJFASQSA-N 0 3 226.320 0.358 20 0 BCADHN CCCN1CC[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000636225334 346359765 /nfs/dbraw/zinc/35/97/65/346359765.db2.gz UHWQRGWCIMOMDY-JTQLQIEISA-N 0 3 236.319 0.932 20 0 BCADHN CC[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H](C)N1 ZINC000636230811 346362614 /nfs/dbraw/zinc/36/26/14/346362614.db2.gz PAOHPXWYENQMOC-WCBMZHEXSA-N 0 3 236.319 0.931 20 0 BCADHN CCN(C(=O)[C@H](C)N(C)C)[C@@H]1CCN(CC)C1 ZINC000617928406 346365943 /nfs/dbraw/zinc/36/59/43/346365943.db2.gz PIOIHDSMPDKJAT-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCCOC1 ZINC000161604787 346341395 /nfs/dbraw/zinc/34/13/95/346341395.db2.gz HWQUARMQJZFOSI-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN CO[C@](C)(CO)CNCc1ccncc1N ZINC000641771868 362711129 /nfs/dbraw/zinc/71/11/29/362711129.db2.gz LKCRIURLXOVMGS-NSHDSACASA-N 0 3 225.292 0.151 20 0 BCADHN CCN(CC)[C@@H](C)CNS(C)(=O)=O ZINC000036076738 346373332 /nfs/dbraw/zinc/37/33/32/346373332.db2.gz NNEKDGJRZZEOBX-QMMMGPOBSA-N 0 3 208.327 0.266 20 0 BCADHN CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)N(C)CCN ZINC000419179853 192101203 /nfs/dbraw/zinc/10/12/03/192101203.db2.gz WRYZLGVPOMVNKS-NXEZZACHSA-N 0 3 243.351 0.344 20 0 BCADHN CC[C@@H](C)C[C@H](C)NC(=O)C(=O)N(C)CCN ZINC000419179856 192102033 /nfs/dbraw/zinc/10/20/33/192102033.db2.gz WRYZLGVPOMVNKS-ZJUUUORDSA-N 0 3 243.351 0.344 20 0 BCADHN CCN1CCC(N(C)C(=O)c2cn[nH]c2)CC1 ZINC000036164532 346419108 /nfs/dbraw/zinc/41/91/08/346419108.db2.gz YSAPJNBNWQRALZ-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN CN[C@H](C)C(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000300363559 346432136 /nfs/dbraw/zinc/43/21/36/346432136.db2.gz HZHZSULPDCUGJN-HLTSFMKQSA-N 0 3 200.282 0.278 20 0 BCADHN CC(C)N1CCC[C@@H](NC(=O)C2(O)CCC2)C1 ZINC000336539777 187369201 /nfs/dbraw/zinc/36/92/01/187369201.db2.gz CMNOWORLOBVGMJ-LLVKDONJSA-N 0 3 240.347 0.890 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000336549383 187368977 /nfs/dbraw/zinc/36/89/77/187368977.db2.gz QLLMNJKBMXPYSB-QWRGUYRKSA-N 0 3 228.336 0.556 20 0 BCADHN CCN(C(=O)c1cn[nH]n1)[C@H]1CCN(CC)C1 ZINC000617930546 346442260 /nfs/dbraw/zinc/44/22/60/346442260.db2.gz CMXKGVNWZBYECE-VIFPVBQESA-N 0 3 237.307 0.361 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H]1CCCOC1 ZINC000170803621 346452232 /nfs/dbraw/zinc/45/22/32/346452232.db2.gz SMAYNGZQPPHCBB-LLVKDONJSA-N 0 3 244.335 0.107 20 0 BCADHN CCCCN(CCCCCO)CC(N)=O ZINC000171144741 346458843 /nfs/dbraw/zinc/45/88/43/346458843.db2.gz UOTCEEMQYUVONL-UHFFFAOYSA-N 0 3 216.325 0.736 20 0 BCADHN CO[C@@H](CNCCC(N)=O)Cc1ccccc1 ZINC000577099117 365812472 /nfs/dbraw/zinc/81/24/72/365812472.db2.gz WTNUCPNSRMAGHU-GFCCVEGCSA-N 0 3 236.315 0.709 20 0 BCADHN CCN(CCOCCO)CCc1ccncc1 ZINC000302337813 169869989 /nfs/dbraw/zinc/86/99/89/169869989.db2.gz GZMCDDBORDSFOV-UHFFFAOYSA-N 0 3 238.331 0.955 20 0 BCADHN Cn1cncc1CCN1CCNC[C@@](C)(F)C1 ZINC000641799529 362748524 /nfs/dbraw/zinc/74/85/24/362748524.db2.gz QTHUYVCHSGHCKM-GFCCVEGCSA-N 0 3 240.326 0.596 20 0 BCADHN CC(C)OCC[C@H](O)CNCc1ccnn1C ZINC000577098442 365814508 /nfs/dbraw/zinc/81/45/08/365814508.db2.gz ZAMMFAXNOZMAQV-LBPRGKRZSA-N 0 3 241.335 0.686 20 0 BCADHN COC[C@H](O)CNCc1ccc2cncn2c1 ZINC000580064951 346503862 /nfs/dbraw/zinc/50/38/62/346503862.db2.gz ZUSHBPHDDOLOMP-GFCCVEGCSA-N 0 3 235.287 0.431 20 0 BCADHN CC(C)[NH2+]CCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948486 349969654 /nfs/dbraw/zinc/96/96/54/349969654.db2.gz PDUVGPRNDPFWPM-UHFFFAOYSA-N 0 3 246.336 0.076 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)CCCSC ZINC000300792090 346506200 /nfs/dbraw/zinc/50/62/00/346506200.db2.gz DEJHTYFIWSADDI-SNVBAGLBSA-N 0 3 249.376 0.985 20 0 BCADHN O=C(CNC1CC1)N1CCc2ccncc21 ZINC000580076262 346514269 /nfs/dbraw/zinc/51/42/69/346514269.db2.gz ARHMDEMURRJMGY-UHFFFAOYSA-N 0 3 217.272 0.723 20 0 BCADHN C[S@](=O)C1(CNCc2ccncc2N)CC1 ZINC000603435536 349967978 /nfs/dbraw/zinc/96/79/78/349967978.db2.gz UGXRXRHARPPLSC-INIZCTEOSA-N 0 3 239.344 0.665 20 0 BCADHN C[C@H](C[S@@](C)=O)NCc1ccncc1N ZINC000603437244 349968746 /nfs/dbraw/zinc/96/87/46/349968746.db2.gz LCBHJJADSUVRLS-ANRSDYALSA-N 0 3 227.333 0.520 20 0 BCADHN C[C@@H]1C[C@H](NCc2cnc(N(C)C)n2C)CO1 ZINC000402161067 349972262 /nfs/dbraw/zinc/97/22/62/349972262.db2.gz QRJVEQNSPFLOPY-ZJUUUORDSA-N 0 3 238.335 0.753 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000300378698 346530866 /nfs/dbraw/zinc/53/08/66/346530866.db2.gz VNUCKCDQGFULJG-IWSPIJDZSA-N 0 3 232.349 0.313 20 0 BCADHN Cc1cccc(N(C)C(=O)[C@@H]2C[C@@H](O)CN2)c1 ZINC000237072126 179114305 /nfs/dbraw/zinc/11/43/05/179114305.db2.gz JNBJLHKDXIGZFP-NEPJUHHUSA-N 0 3 234.299 0.681 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC(C)(CO)CC1 ZINC000186945088 346546202 /nfs/dbraw/zinc/54/62/02/346546202.db2.gz SHXPIWIQBPAHQK-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)[C@@H](CO)N[C@@H]1CCCN(C(C)C)C1=O ZINC000192774285 365822184 /nfs/dbraw/zinc/82/21/84/365822184.db2.gz PMWDXVKJNXGJTE-VXGBXAGGSA-N 0 3 242.363 0.992 20 0 BCADHN Cn1ccc(CNCCC2CC(O)C2)n1 ZINC000380195000 346555619 /nfs/dbraw/zinc/55/56/19/346555619.db2.gz QLQDNWFVZJLDEZ-UHFFFAOYSA-N 0 3 209.293 0.671 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000577124103 365828503 /nfs/dbraw/zinc/82/85/03/365828503.db2.gz GSGFLLJQHNHWFO-VIFPVBQESA-N 0 3 245.286 0.814 20 0 BCADHN COC[C@H](NCC(=O)N1CCC1)C(C)C ZINC000380197061 346597422 /nfs/dbraw/zinc/59/74/22/346597422.db2.gz RFYKXBDYMPVKEZ-JTQLQIEISA-N 0 3 214.309 0.479 20 0 BCADHN C[C@]1(F)CCN(CC[C@H]2CCNC2=O)C1 ZINC000580208544 346673031 /nfs/dbraw/zinc/67/30/31/346673031.db2.gz FXMZVLFETGVGRH-KOLCDFICSA-N 0 3 214.284 0.947 20 0 BCADHN Cn1cncc1CCN1CC[C@@H](F)[C@H](N)C1 ZINC000641818005 362769707 /nfs/dbraw/zinc/76/97/07/362769707.db2.gz BPQUCSSFGDMFGE-GHMZBOCLSA-N 0 3 226.299 0.334 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000166274417 346670052 /nfs/dbraw/zinc/67/00/52/346670052.db2.gz JWNVOHPRGZXROD-RNFRBKRXSA-N 0 3 239.241 0.086 20 0 BCADHN COCCC(=O)N[C@@H]1CCCN(C)C1 ZINC000589165060 346670682 /nfs/dbraw/zinc/67/06/82/346670682.db2.gz JPOZKWBEZGSUEU-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN Cn1ccc(C(=O)NCCN2CCCCC2)n1 ZINC000589463789 346705194 /nfs/dbraw/zinc/70/51/94/346705194.db2.gz OIMAQSALJSWTLW-UHFFFAOYSA-N 0 3 236.319 0.636 20 0 BCADHN CCN1CCCN(C(=O)N[C@@H]2CCOC2)CC1 ZINC000307890706 346706670 /nfs/dbraw/zinc/70/66/70/346706670.db2.gz DOHLAFKXGGYMII-LLVKDONJSA-N 0 3 241.335 0.513 20 0 BCADHN Cc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2)c1 ZINC000020434454 179141897 /nfs/dbraw/zinc/14/18/97/179141897.db2.gz JZBDVNCEMQDQOP-GHMZBOCLSA-N 0 3 220.272 0.656 20 0 BCADHN CN(C)c1ncc(CN[C@@H]2CCCN(C)C2)cn1 ZINC000589644505 346724676 /nfs/dbraw/zinc/72/46/76/346724676.db2.gz MKVMVBXOKCZXEA-GFCCVEGCSA-N 0 3 249.362 0.726 20 0 BCADHN CCOC(=O)COCCN1CCC[C@H]1COC ZINC000589255129 346679160 /nfs/dbraw/zinc/67/91/60/346679160.db2.gz JMYSSJPREOJXJS-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN CN[C@@H](C)C(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC000580211348 346684254 /nfs/dbraw/zinc/68/42/54/346684254.db2.gz UBNIQHJQDQPDBS-ZANVPECISA-N 0 3 249.314 0.111 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@H](C)C(=O)NCC ZINC000037480702 346698042 /nfs/dbraw/zinc/69/80/42/346698042.db2.gz LSPCIEMHUNQYQL-RKDXNWHRSA-N 0 3 229.324 0.145 20 0 BCADHN CN1C[C@H]2CCN(CC(=O)OC(C)(C)C)[C@H]2C1 ZINC000590011018 346763483 /nfs/dbraw/zinc/76/34/83/346763483.db2.gz FSVDIUVIJVODHG-MNOVXSKESA-N 0 3 240.347 0.964 20 0 BCADHN CCOC(=O)CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000590010888 346763582 /nfs/dbraw/zinc/76/35/82/346763582.db2.gz ZCYGNFHKCDNMFG-UWVGGRQHSA-N 0 3 212.293 0.185 20 0 BCADHN CCOC(=O)CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590010890 346764006 /nfs/dbraw/zinc/76/40/06/346764006.db2.gz ZCYGNFHKCDNMFG-ZJUUUORDSA-N 0 3 212.293 0.185 20 0 BCADHN CC(C(N)=O)S(=O)(=O)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000621999847 370651608 /nfs/dbraw/zinc/65/16/08/370651608.db2.gz VPAFYTWPNLZIOO-DOLQZWNJSA-N 0 3 245.344 0.711 20 0 BCADHN CN(C)C(=O)CN[C@H](CCO)C(C)(C)C ZINC000181487175 346754368 /nfs/dbraw/zinc/75/43/68/346754368.db2.gz HLVXJGWCRMXLLC-SECBINFHSA-N 0 3 216.325 0.461 20 0 BCADHN CS[C@H](CO)[C@H](C)NC[C@@H](O)C(F)(F)F ZINC000228369837 347106220 /nfs/dbraw/zinc/10/62/20/347106220.db2.gz MGSORWHDOSLFGX-RRKCRQDMSA-N 0 3 247.282 0.612 20 0 BCADHN CN(C)c1ncc(CN[C@@H]2CC[C@H]2O)s1 ZINC000382051988 347111623 /nfs/dbraw/zinc/11/16/23/347111623.db2.gz MZULIFSJBDRTQX-RKDXNWHRSA-N 0 3 227.333 0.822 20 0 BCADHN COC(=O)[C@H](CNC(=O)[C@H](C)N)CC1CC1 ZINC000571101142 323135395 /nfs/dbraw/zinc/13/53/95/323135395.db2.gz WSLYSQRFZXIOAK-CBAPKCEASA-N 0 3 228.292 0.039 20 0 BCADHN Cc1cccc(OCCNC(=O)[C@H](C)N)c1 ZINC000041240535 179167468 /nfs/dbraw/zinc/16/74/68/179167468.db2.gz UNISKHZFTKUDCY-JTQLQIEISA-N 0 3 222.288 0.837 20 0 BCADHN O[C@@H]1CC[C@H]1NCc1cnn(CC(F)F)c1 ZINC000378680697 346805471 /nfs/dbraw/zinc/80/54/71/346805471.db2.gz VTVPKDHEQPWABB-RKDXNWHRSA-N 0 3 231.246 0.761 20 0 BCADHN CC[C@H]1CN(C)CCN1CCCC(=O)OC ZINC000571146584 323136384 /nfs/dbraw/zinc/13/63/84/323136384.db2.gz JJFFDMUYDYQFHY-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCOC(=O)CCCCCNC1(C(N)=O)CC1 ZINC000183837776 347136854 /nfs/dbraw/zinc/13/68/54/347136854.db2.gz RZKIGDKPUAFFKQ-UHFFFAOYSA-N 0 3 242.319 0.717 20 0 BCADHN CCC[C@H]1CNCCN1C(=O)CNC1CC1 ZINC000582052191 347136989 /nfs/dbraw/zinc/13/69/89/347136989.db2.gz VWWWYAQJADZARI-NSHDSACASA-N 0 3 225.336 0.339 20 0 BCADHN Cc1cccc(OC[C@H](C)NC(=O)CN)c1 ZINC000237471533 179171077 /nfs/dbraw/zinc/17/10/77/179171077.db2.gz MWBKIFZVXYDLBN-JTQLQIEISA-N 0 3 222.288 0.837 20 0 BCADHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)N1CCNC1=O ZINC000582052945 347141856 /nfs/dbraw/zinc/14/18/56/347141856.db2.gz SDDWXLXRAZDFGJ-KXUCPTDWSA-N 0 3 239.319 0.515 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)[C@@H](C)NC1CC1 ZINC000382981969 347142924 /nfs/dbraw/zinc/14/29/24/347142924.db2.gz UPPHWJAOKGWPBW-KOLCDFICSA-N 0 3 228.336 0.650 20 0 BCADHN CC[C@@H](O)CN[C@@]1(CC(=O)OC)CCOC1 ZINC000309713357 347145909 /nfs/dbraw/zinc/14/59/09/347145909.db2.gz RRDIVVBOEXPJCK-MWLCHTKSSA-N 0 3 231.292 0.069 20 0 BCADHN CC[C@@H](O)CN[C@]1(CC(=O)OC)CCOC1 ZINC000309713355 347146452 /nfs/dbraw/zinc/14/64/52/347146452.db2.gz RRDIVVBOEXPJCK-KOLCDFICSA-N 0 3 231.292 0.069 20 0 BCADHN Cn1nccc1[C@@H](CO)NC1CCSCC1 ZINC000624018263 347151681 /nfs/dbraw/zinc/15/16/81/347151681.db2.gz PFPNAYYJWXUAOF-SNVBAGLBSA-N 0 3 241.360 0.939 20 0 BCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC1CC(C)C1 ZINC000601293295 347165793 /nfs/dbraw/zinc/16/57/93/347165793.db2.gz FIRQSGCLNVDRNS-ZNHWEVIXSA-N 0 3 242.319 0.441 20 0 BCADHN C[C@H](NC(=O)N[C@@H](CN)C(F)(F)F)C(F)F ZINC000641819776 362771196 /nfs/dbraw/zinc/77/11/96/362771196.db2.gz VYLFCOBZNIBONE-IMJSIDKUSA-N 0 3 249.183 0.829 20 0 BCADHN CCCNC(=O)CN(C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249549269 323139354 /nfs/dbraw/zinc/13/93/54/323139354.db2.gz HHEABNXMVKYHHK-DGCLKSJQSA-N 0 3 242.363 0.996 20 0 BCADHN COC[C@@H](C)CN1CCN(CC(C)(C)O)CC1 ZINC000187144740 347250094 /nfs/dbraw/zinc/25/00/94/347250094.db2.gz NFWXNLBJLAEYAW-LBPRGKRZSA-N 0 3 244.379 0.657 20 0 BCADHN C[C@H](C(=O)N1CCCNCC1)n1cccn1 ZINC000020258075 347250475 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/nfs/dbraw/zinc/27/17/34/347271734.db2.gz SRPOKLXPLQHXLS-ZJUUUORDSA-N 0 3 243.351 0.539 20 0 BCADHN COCCN(C)CCNC(=O)C1(SC)CC1 ZINC000190604966 347332834 /nfs/dbraw/zinc/33/28/34/347332834.db2.gz HQQWFZJPEPRYMN-UHFFFAOYSA-N 0 3 246.376 0.576 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NC1(COC)CC1 ZINC000571394928 323143361 /nfs/dbraw/zinc/14/33/61/323143361.db2.gz BDNCFCTVBKUKDF-VHSXEESVSA-N 0 3 242.319 0.049 20 0 BCADHN CC(C)OC[C@H](C)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000623720036 347303112 /nfs/dbraw/zinc/30/31/12/347303112.db2.gz SVOLSSKWWKTIOM-HBNTYKKESA-N 0 3 249.376 0.965 20 0 BCADHN CNC(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000601397558 347311769 /nfs/dbraw/zinc/31/17/69/347311769.db2.gz OHRLQSJEFUDHBH-UWVGGRQHSA-N 0 3 243.376 0.837 20 0 BCADHN Cn1cc(CNCCN2CCCC2)cn1 ZINC000020127019 347408735 /nfs/dbraw/zinc/40/87/35/347408735.db2.gz MNKQTKHEOSMGFY-UHFFFAOYSA-N 0 3 208.309 0.606 20 0 BCADHN CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CCOC1 ZINC000684823552 488346730 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RUPMLRLWMGGNLU-VXGBXAGGSA-N 0 3 245.319 0.459 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@@H](C(C)C)C2)ncn1 ZINC000621155685 347423848 /nfs/dbraw/zinc/42/38/48/347423848.db2.gz KINBMCSWXROYIK-GFCCVEGCSA-N 0 3 248.330 0.855 20 0 BCADHN CN(Cc1cnc[nH]1)C(=O)[C@H]1CCCN1C ZINC000616925395 347456603 /nfs/dbraw/zinc/45/66/03/347456603.db2.gz GKVPZLUOBTUDER-SNVBAGLBSA-N 0 3 222.292 0.462 20 0 BCADHN CCN1CCN(CCC(=O)OC)CC1 ZINC000020303508 347440624 /nfs/dbraw/zinc/44/06/24/347440624.db2.gz HNYLRXURJGEHCT-UHFFFAOYSA-N 0 3 200.282 0.187 20 0 BCADHN COCC(COC)NC[C@H](O)COC(C)C ZINC000388525468 347443995 /nfs/dbraw/zinc/44/39/95/347443995.db2.gz ZMJGKWPSZKHCJC-NSHDSACASA-N 0 3 235.324 0.023 20 0 BCADHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccnn1C ZINC000590657685 347487032 /nfs/dbraw/zinc/48/70/32/347487032.db2.gz MJCPWKZSPQVNRX-MNOVXSKESA-N 0 3 237.303 0.851 20 0 BCADHN Cn1cc(CCNCc2cncn2C)cn1 ZINC000082394341 347462781 /nfs/dbraw/zinc/46/27/81/347462781.db2.gz CLRBBUHNPSOHSC-UHFFFAOYSA-N 0 3 219.292 0.486 20 0 BCADHN CCN1CCN([C@H]2CCN(C(C)=O)C2)CC1 ZINC000364735627 347504658 /nfs/dbraw/zinc/50/46/58/347504658.db2.gz HHZZNQFMBBKOTO-LBPRGKRZSA-N 0 3 225.336 0.245 20 0 BCADHN CO[C@@H](CC(C)C)CN(C)CC(C)(CO)CO ZINC000419224798 192107133 /nfs/dbraw/zinc/10/71/33/192107133.db2.gz CBJWSFAMLQKJRK-LBPRGKRZSA-N 0 3 247.379 0.970 20 0 BCADHN Cc1ccccc1C(=O)NC[C@@H]1CNCCO1 ZINC000036285309 179249223 /nfs/dbraw/zinc/24/92/23/179249223.db2.gz MECBTPXZEQXNEV-NSHDSACASA-N 0 3 234.299 0.713 20 0 BCADHN CC(C)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)CN ZINC000419226652 192107188 /nfs/dbraw/zinc/10/71/88/192107188.db2.gz RGAHNGUQURNBRB-BDAKNGLRSA-N 0 3 229.324 0.001 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)C[C@@H]1CCCO1 ZINC000382975552 347518193 /nfs/dbraw/zinc/51/81/93/347518193.db2.gz SJZJDNHSNUFDMQ-KOLCDFICSA-N 0 3 226.320 0.764 20 0 BCADHN COCCN(C)CCCNC(=O)N1CC=CC1 ZINC000636584724 347524007 /nfs/dbraw/zinc/52/40/07/347524007.db2.gz JSYGIWWHDQTKJF-UHFFFAOYSA-N 0 3 241.335 0.536 20 0 BCADHN CCOC(=O)CCCN1CC[C@@H](O)[C@H]1C ZINC000590762161 347527075 /nfs/dbraw/zinc/52/70/75/347527075.db2.gz JZTSOMUKAHHXIM-NXEZZACHSA-N 0 3 215.293 0.785 20 0 BCADHN COC(=O)CC1(CN2CC[C@@H](O)[C@H]2C)CC1 ZINC000590762209 347527469 /nfs/dbraw/zinc/52/74/69/347527469.db2.gz BDMKUHDTMWHFLV-NXEZZACHSA-N 0 3 227.304 0.785 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CC[C@H](SC)C1 ZINC000382941268 347502645 /nfs/dbraw/zinc/50/26/45/347502645.db2.gz IUWQSKMPWXSYSZ-WPRPVWTQSA-N 0 3 233.333 0.348 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CC[C@@H](SC)C1 ZINC000382941266 347502897 /nfs/dbraw/zinc/50/28/97/347502897.db2.gz IUWQSKMPWXSYSZ-SCZZXKLOSA-N 0 3 233.333 0.348 20 0 BCADHN CSCCNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000590797550 347554923 /nfs/dbraw/zinc/55/49/23/347554923.db2.gz UKPUEMURDJEVPX-VHSXEESVSA-N 0 3 243.376 0.695 20 0 BCADHN CC(C)(C)N1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC000617011368 347581185 /nfs/dbraw/zinc/58/11/85/347581185.db2.gz CSDPZDGNFAEIHI-QMMMGPOBSA-N 0 3 237.307 0.407 20 0 BCADHN CN1CC[C@H](C(=O)Nc2nncs2)C1 ZINC000591096108 347618384 /nfs/dbraw/zinc/61/83/84/347618384.db2.gz SBKYQIXJHOAJBP-LURJTMIESA-N 0 3 212.278 0.428 20 0 BCADHN CC[C@H](O)CCNC[C@H](O)C(F)(F)F ZINC000218809302 347624940 /nfs/dbraw/zinc/62/49/40/347624940.db2.gz NSUDJRUBRXYENT-BQBZGAKWSA-N 0 3 215.215 0.660 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1ccn(C)n1 ZINC000591285316 347634775 /nfs/dbraw/zinc/63/47/75/347634775.db2.gz HYHFEPHSXYTINF-UHFFFAOYSA-N 0 3 238.335 0.834 20 0 BCADHN CCOC(=O)C(C)(C)NC(=O)[C@@H]1NCC1(C)C ZINC000591668854 347684077 /nfs/dbraw/zinc/68/40/77/347684077.db2.gz FYAIBYJUPFMTIA-QMMMGPOBSA-N 0 3 242.319 0.442 20 0 BCADHN CCc1nn(C)c(CC)c1CNCCC(N)=O ZINC000577272160 365911649 /nfs/dbraw/zinc/91/16/49/365911649.db2.gz ZVTNDVSSGLSXMT-UHFFFAOYSA-N 0 3 238.335 0.510 20 0 BCADHN CC(C(=O)N[C@H]1COC(C)(C)C1)S(C)(=O)=O ZINC000617057759 347687585 /nfs/dbraw/zinc/68/75/85/347687585.db2.gz MNMTWVQQHWZRGV-JGVFFNPUSA-N 0 3 249.332 0.103 20 0 BCADHN COC(=O)[C@]1(C)CCCN1C(=O)CNC1CC1 ZINC000591685809 347689061 /nfs/dbraw/zinc/68/90/61/347689061.db2.gz QPVZOXDUILUJKS-LBPRGKRZSA-N 0 3 240.303 0.293 20 0 BCADHN Cc1occc1CNCCC(=O)NC(N)=O ZINC000591727901 347693226 /nfs/dbraw/zinc/69/32/26/347693226.db2.gz GMBBEXHUCLJNMT-UHFFFAOYSA-N 0 3 225.248 0.263 20 0 BCADHN COC[C@H](C)CN1CC(C)(C(=O)OC)C1 ZINC000591839591 347704543 /nfs/dbraw/zinc/70/45/43/347704543.db2.gz HCGJOWWTQWRHHZ-SECBINFHSA-N 0 3 215.293 0.764 20 0 BCADHN Cc1ccccc1CNC(=O)C[C@@H]1CNCCO1 ZINC000091300394 179278557 /nfs/dbraw/zinc/27/85/57/179278557.db2.gz GSZJOGLCHFWZEZ-CYBMUJFWSA-N 0 3 248.326 0.990 20 0 BCADHN CCOC(=O)[C@@H](C)CNC(=O)[C@@H]1NCC1(C)C ZINC000592212957 347762316 /nfs/dbraw/zinc/76/23/16/347762316.db2.gz NAQDECRVCDVQAF-IUCAKERBSA-N 0 3 242.319 0.300 20 0 BCADHN CSC[C@H](O)CN[C@@H](CO)CC(F)F ZINC000592432867 347778703 /nfs/dbraw/zinc/77/87/03/347778703.db2.gz ZJLGDYYMSIQIOE-RNFRBKRXSA-N 0 3 229.292 0.316 20 0 BCADHN COC(=O)[C@@H]1C[C@@H](O)CN(CCC(C)(C)O)C1 ZINC000592193074 347749290 /nfs/dbraw/zinc/74/92/90/347749290.db2.gz BJZPYNBATDNUGM-NXEZZACHSA-N 0 3 245.319 0.003 20 0 BCADHN CC[C@H](N)C(=O)NCC1(C(=O)OC)CCCC1 ZINC000592197118 347750332 /nfs/dbraw/zinc/75/03/32/347750332.db2.gz BBSKPTPPBPVLLE-VIFPVBQESA-N 0 3 242.319 0.573 20 0 BCADHN COC(=O)[C@H]1C[C@@H](O)CN(CCCF)C1 ZINC000592198844 347751060 /nfs/dbraw/zinc/75/10/60/347751060.db2.gz PHPFTYNOHUWIQQ-DTWKUNHWSA-N 0 3 219.256 0.202 20 0 BCADHN COC(=O)[C@@H]1C[C@@H](O)CN(CCCF)C1 ZINC000592198846 347751095 /nfs/dbraw/zinc/75/10/95/347751095.db2.gz PHPFTYNOHUWIQQ-RKDXNWHRSA-N 0 3 219.256 0.202 20 0 BCADHN CCCN1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592201316 347752806 /nfs/dbraw/zinc/75/28/06/347752806.db2.gz NOIYGQOCYKFOAC-DTWKUNHWSA-N 0 3 201.266 0.252 20 0 BCADHN CC[C@H](CN[C@H](C(N)=O)C(C)(C)C)OC ZINC000419230751 192108850 /nfs/dbraw/zinc/10/88/50/192108850.db2.gz YZJMXFHIJFLUCG-RKDXNWHRSA-N 0 3 216.325 0.901 20 0 BCADHN CC[C@@H](C(N)=O)N(CC)CCSC ZINC000592205660 347756864 /nfs/dbraw/zinc/75/68/64/347756864.db2.gz XVEMLXVOXULJRF-QMMMGPOBSA-N 0 3 204.339 0.935 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC1CCOCC1 ZINC000082545481 347793831 /nfs/dbraw/zinc/79/38/31/347793831.db2.gz ZMFIAQYOHWJXIX-KOLCDFICSA-N 0 3 228.336 0.903 20 0 BCADHN CC[C@@H](N)C(=O)N(CCC(=O)OC)C(C)C ZINC000592560394 347800552 /nfs/dbraw/zinc/80/05/52/347800552.db2.gz MFWLVLANJWKSEG-SECBINFHSA-N 0 3 230.308 0.524 20 0 BCADHN CO[C@@]1(CO)CCCN(CCSC)C1 ZINC000401770154 347803296 /nfs/dbraw/zinc/80/32/96/347803296.db2.gz IZBPTNLGIKTKLO-JTQLQIEISA-N 0 3 219.350 0.823 20 0 BCADHN CN(CCCN1CCCC1=O)[C@H]1CCOC1 ZINC000592818578 347818490 /nfs/dbraw/zinc/81/84/90/347818490.db2.gz VPTYNGXKKKFTAP-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN Cc1nnc(CNC(=O)[C@@H](C(C)C)N(C)C)o1 ZINC000592845040 347821770 /nfs/dbraw/zinc/82/17/70/347821770.db2.gz NLCLCESPAHGYQB-SNVBAGLBSA-N 0 3 240.307 0.580 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1CCCN(C)C1)N(C)C ZINC000592853505 347823828 /nfs/dbraw/zinc/82/38/28/347823828.db2.gz LILZLRDXVALLTC-NWDGAFQWSA-N 0 3 241.379 0.783 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCCOC1 ZINC000082545385 347792113 /nfs/dbraw/zinc/79/21/13/347792113.db2.gz ITUZENLPCPCYOE-QWRGUYRKSA-N 0 3 228.336 0.855 20 0 BCADHN COC(=O)CC1(NCCOCC(F)F)CC1 ZINC000593057547 347848003 /nfs/dbraw/zinc/84/80/03/347848003.db2.gz OJARBIGPVJNDDB-UHFFFAOYSA-N 0 3 237.246 0.953 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1CCC(=O)OC(C)C ZINC000593067132 347850443 /nfs/dbraw/zinc/85/04/43/347850443.db2.gz UJHHHRRQZITSSH-GHMZBOCLSA-N 0 3 245.319 0.410 20 0 BCADHN OCCN(CCOC[C@@H]1CCCO1)C1CC1 ZINC000304411264 323164608 /nfs/dbraw/zinc/16/46/08/323164608.db2.gz YCSIGUDTUFWDNY-LBPRGKRZSA-N 0 3 229.320 0.639 20 0 BCADHN O=[S@@]1C[C@@H]2C[C@H]1CN2CC1CCOCC1 ZINC000593097208 347854524 /nfs/dbraw/zinc/85/45/24/347854524.db2.gz LDBFIMYRLJYQPQ-ZIBATOQPSA-N 0 3 229.345 0.618 20 0 BCADHN CC(C)[C@@H](O)CN1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593098230 347855035 /nfs/dbraw/zinc/85/50/35/347855035.db2.gz AEVZVGGCRGCYIK-RUMNANIHSA-N 0 3 217.334 0.209 20 0 BCADHN CC(C)(C)[C@@H](O)CN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593099125 347856191 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348201300 /nfs/dbraw/zinc/20/13/00/348201300.db2.gz OFRQHELAHYFLPI-UHFFFAOYSA-N 0 3 200.282 0.424 20 0 BCADHN CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)[C@@H](C)N ZINC000595259413 348205292 /nfs/dbraw/zinc/20/52/92/348205292.db2.gz MMGKJZPPRNWFJW-KBVBSXBZSA-N 0 3 242.319 0.572 20 0 BCADHN CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)[C@@H](C)N ZINC000595259415 348205597 /nfs/dbraw/zinc/20/55/97/348205597.db2.gz MMGKJZPPRNWFJW-PTRXPTGYSA-N 0 3 242.319 0.572 20 0 BCADHN CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)[C@@H](C)N ZINC000595259416 348205945 /nfs/dbraw/zinc/20/59/45/348205945.db2.gz MMGKJZPPRNWFJW-VDDIYKPWSA-N 0 3 242.319 0.572 20 0 BCADHN CO[C@H](CNC1(C(N)=O)CC1)CC(C)C ZINC000419257173 192115942 /nfs/dbraw/zinc/11/59/42/192115942.db2.gz YFCRMPFZTCTGHI-VIFPVBQESA-N 0 3 214.309 0.655 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1C ZINC000419244686 192115184 /nfs/dbraw/zinc/11/51/84/192115184.db2.gz UTXZWDSVLNLKQH-AEJSXWLSSA-N 0 3 241.335 0.002 20 0 BCADHN CCCN(CC(N)=O)C[C@H](CC)OC ZINC000419288428 192118523 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/nfs/dbraw/zinc/89/83/62/362898362.db2.gz IEFOVABKVLLNMO-NXEZZACHSA-N 0 3 216.350 0.412 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](CCF)C1 ZINC000595755228 348328825 /nfs/dbraw/zinc/32/88/25/348328825.db2.gz JBBFSXVKSUCFGL-IUCAKERBSA-N 0 3 245.298 0.641 20 0 BCADHN COC(=O)[C@H](C1CC1)N1C[C@H]2COC[C@]2(C)C1 ZINC000595756490 348330029 /nfs/dbraw/zinc/33/00/29/348330029.db2.gz GMJXRCCWUVNRIU-GVXVVHGQSA-N 0 3 239.315 0.906 20 0 BCADHN CSCCN1CCC(=O)N(C)CC1 ZINC000595772628 348337385 /nfs/dbraw/zinc/33/73/85/348337385.db2.gz LTSWMRQTLUHECF-UHFFFAOYSA-N 0 3 202.323 0.514 20 0 BCADHN COC(=O)[C@@](C)(O)CN(C)CC1=CCCOC1 ZINC000595748179 348339928 /nfs/dbraw/zinc/33/99/28/348339928.db2.gz XVYKIMQPDMDTEN-LBPRGKRZSA-N 0 3 243.303 0.189 20 0 BCADHN CC(C)OC(=O)CCN1CCC(=O)N(C)CC1 ZINC000595781726 348345061 /nfs/dbraw/zinc/34/50/61/348345061.db2.gz IGHSJRUJGSNJKD-UHFFFAOYSA-N 0 3 242.319 0.492 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)NC1(CC(C)C)CC1 ZINC000595833470 348367529 /nfs/dbraw/zinc/36/75/29/348367529.db2.gz KHWXRWIBOIYDSP-SECBINFHSA-N 0 3 241.335 0.999 20 0 BCADHN Cc1nn(C)cc1CN(C[C@H](C)O)[C@@H](C)CO ZINC000191216663 323184989 /nfs/dbraw/zinc/18/49/89/323184989.db2.gz INADBCRAJVCBEH-UWVGGRQHSA-N 0 3 241.335 0.292 20 0 BCADHN COC(=O)CCCN(C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595849676 348356185 /nfs/dbraw/zinc/35/61/85/348356185.db2.gz WHIRGEFKHSJENK-AOOOYVTPSA-N 0 3 243.303 0.823 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)C[C@@H](C)OC)C1 ZINC000595856208 348357816 /nfs/dbraw/zinc/35/78/16/348357816.db2.gz KSZGAJSJSPNTFV-BBBLOLIVSA-N 0 3 215.293 0.905 20 0 BCADHN COC(=O)[C@H](C1CC1)N1CC[C@@H]2COC[C@H]2C1 ZINC000595830357 348364835 /nfs/dbraw/zinc/36/48/35/348364835.db2.gz KSPBTIDOYJIMLQ-UTUOFQBUSA-N 0 3 239.315 0.906 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N[C@]12C[C@H]1CCC2 ZINC000595960979 348405622 /nfs/dbraw/zinc/40/56/22/348405622.db2.gz GZFCRBCOKUTBFN-VDDIYKPWSA-N 0 3 240.303 0.326 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@H](CO)C1CCC1 ZINC000595963786 348406082 /nfs/dbraw/zinc/40/60/82/348406082.db2.gz UVIDLTCFOUMSNL-NXEZZACHSA-N 0 3 246.376 0.344 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595974776 348406736 /nfs/dbraw/zinc/40/67/36/348406736.db2.gz IVJPENOWOVQHEE-VDDIYKPWSA-N 0 3 242.319 0.572 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595974775 348406836 /nfs/dbraw/zinc/40/68/36/348406836.db2.gz IVJPENOWOVQHEE-SBMIAAHKSA-N 0 3 242.319 0.572 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2)C1 ZINC000595974436 348408106 /nfs/dbraw/zinc/40/81/06/348408106.db2.gz CXGXNIRKCRSRJO-AEJSXWLSSA-N 0 3 240.303 0.196 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](CC(=O)OC)C1CC1 ZINC000595972982 348408204 /nfs/dbraw/zinc/40/82/04/348408204.db2.gz NSKGDMHNABRUML-ZJUUUORDSA-N 0 3 242.319 0.429 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](CC(=O)OC)C1CC1 ZINC000595972981 348408316 /nfs/dbraw/zinc/40/83/16/348408316.db2.gz NSKGDMHNABRUML-VHSXEESVSA-N 0 3 242.319 0.429 20 0 BCADHN CN[C@@H](C)C(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595981087 348415724 /nfs/dbraw/zinc/41/57/24/348415724.db2.gz MKGIQTHEIVTTSQ-XHNCKOQMSA-N 0 3 228.292 0.004 20 0 BCADHN CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)CN ZINC000595980995 348415872 /nfs/dbraw/zinc/41/58/72/348415872.db2.gz MMFBSPQTWMLNRT-LDYMZIIASA-N 0 3 228.292 0.183 20 0 BCADHN CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)CN ZINC000595980994 348416092 /nfs/dbraw/zinc/41/60/92/348416092.db2.gz MMFBSPQTWMLNRT-KWQFWETISA-N 0 3 228.292 0.183 20 0 BCADHN CC[C@@H](C)N(CC(=O)OC)C[C@H]1CNCCO1 ZINC000595893119 348390838 /nfs/dbraw/zinc/39/08/38/348390838.db2.gz PNYRHWHHLUVTPR-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN COC(=O)C[C@H]1CCCN1C[C@@H]1CNCCO1 ZINC000595892112 348390877 /nfs/dbraw/zinc/39/08/77/348390877.db2.gz KSNRKQLWVUGBAR-MNOVXSKESA-N 0 3 242.319 0.002 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 ZINC000595989222 348419865 /nfs/dbraw/zinc/41/98/65/348419865.db2.gz IVJPENOWOVQHEE-KBVBSXBZSA-N 0 3 242.319 0.572 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCc1ccccc1CO ZINC000563092849 349986514 /nfs/dbraw/zinc/98/65/14/349986514.db2.gz OCWQALZRGYVGSQ-JTQLQIEISA-N 0 3 248.326 0.936 20 0 BCADHN COC(=O)CNC(=O)c1cccc2c1CNC2 ZINC000595928707 348392316 /nfs/dbraw/zinc/39/23/16/348392316.db2.gz FCNGESUVGMZOGG-UHFFFAOYSA-N 0 3 234.255 0.193 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)CNC(C)C ZINC000595930414 348392577 /nfs/dbraw/zinc/39/25/77/348392577.db2.gz PTYFINMTVZPHFX-SECBINFHSA-N 0 3 230.308 0.300 20 0 BCADHN COC(=O)CCNC(=O)C1(N)CC2(CCC2)C1 ZINC000595930476 348392913 /nfs/dbraw/zinc/39/29/13/348392913.db2.gz RLHCDNQSDJRGRL-UHFFFAOYSA-N 0 3 240.303 0.327 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCC[C@@H]1C(=O)OC ZINC000595904036 348395329 /nfs/dbraw/zinc/39/53/29/348395329.db2.gz ODEJGXIRDMKDOK-VHSXEESVSA-N 0 3 242.319 0.444 20 0 BCADHN CCOC(=O)CCN1CC[C@@H](F)[C@H](N)C1 ZINC000595905329 348396328 /nfs/dbraw/zinc/39/63/28/348396328.db2.gz BSQJFRGNKAJQKQ-RKDXNWHRSA-N 0 3 218.272 0.311 20 0 BCADHN CCOC(=O)[C@H](C)N1CC[C@@H](F)[C@H](N)C1 ZINC000595905375 348396689 /nfs/dbraw/zinc/39/66/89/348396689.db2.gz CSWOJIPBVWVDQF-DJLDLDEBSA-N 0 3 218.272 0.309 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCc1ccccc1CO ZINC000563092852 349986947 /nfs/dbraw/zinc/98/69/47/349986947.db2.gz OCWQALZRGYVGSQ-SNVBAGLBSA-N 0 3 248.326 0.936 20 0 BCADHN COC(=O)CCNC(=O)CN1CC2CC1(C)C2 ZINC000595917087 348400564 /nfs/dbraw/zinc/40/05/64/348400564.db2.gz WTPWVORAICDGCI-UHFFFAOYSA-N 0 3 240.303 0.150 20 0 BCADHN CC[C@@H](N[C@@H]1CCC[C@@H]1C(=O)OC)C(N)=O ZINC000595917436 348400601 /nfs/dbraw/zinc/40/06/01/348400601.db2.gz NEJBOFYAZLQYPV-DJLDLDEBSA-N 0 3 228.292 0.182 20 0 BCADHN CN1CCC[C@@H](N[C@H]2CCOC2(C)C)C1=O ZINC000577459533 365957686 /nfs/dbraw/zinc/95/76/86/365957686.db2.gz BQEIKYFUDRLZSR-ZJUUUORDSA-N 0 3 226.320 0.764 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NCC1=CCCC1 ZINC000595948009 348403049 /nfs/dbraw/zinc/40/30/49/348403049.db2.gz QBEFIVIARPJNIT-SNVBAGLBSA-N 0 3 240.303 0.493 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]1C(=O)OC ZINC000595974509 348403603 /nfs/dbraw/zinc/40/36/03/348403603.db2.gz DYELELNWIUNPMT-YIZRAAEISA-N 0 3 228.292 0.052 20 0 BCADHN C[C@@H]1CN(CC(=O)NC(N)=O)[C@@H](C)[C@H]1C ZINC000419393776 192129892 /nfs/dbraw/zinc/12/98/92/192129892.db2.gz NVCSKXAAAWRJLX-CSMHCCOUSA-N 0 3 213.281 0.158 20 0 BCADHN COC(=O)CNC(=O)CN1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419396775 192131272 /nfs/dbraw/zinc/13/12/72/192131272.db2.gz SZEIZOXLWXYIEX-AEJSXWLSSA-N 0 3 242.319 0.252 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC[C@H](O)C(F)(F)F)C1 ZINC000596066348 348437024 /nfs/dbraw/zinc/43/70/24/348437024.db2.gz DEQAHIPHFUHLDO-ACZMJKKPSA-N 0 3 241.209 0.451 20 0 BCADHN CC(C)[C@@H](C)CNC(=O)C(=O)N(C)[C@@H](C)CN ZINC000419364757 192127719 /nfs/dbraw/zinc/12/77/19/192127719.db2.gz QEOYQHNXNBZBNZ-UWVGGRQHSA-N 0 3 243.351 0.200 20 0 BCADHN C[NH2+]CCN(C)C(=O)c1cccc(OC)c1[O-] ZINC000070303555 349991258 /nfs/dbraw/zinc/99/12/58/349991258.db2.gz XSBBSCLKZWAZKQ-UHFFFAOYSA-N 0 3 238.287 0.692 20 0 BCADHN CC(C)SCC(=O)N1CCOC2(CNC2)C1 ZINC000596097075 348444971 /nfs/dbraw/zinc/44/49/71/348444971.db2.gz AOEXTRIICUPZIR-UHFFFAOYSA-N 0 3 244.360 0.329 20 0 BCADHN COC(=O)c1ccc(SCCN(C)C)nn1 ZINC000596154518 348453405 /nfs/dbraw/zinc/45/34/05/348453405.db2.gz AFINCZKWTXYUOL-UHFFFAOYSA-N 0 3 241.316 0.917 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)NCC1CCCCC1 ZINC000419564251 192141936 /nfs/dbraw/zinc/14/19/36/192141936.db2.gz CBSKAZARRGIMSG-SECBINFHSA-N 0 3 241.335 0.146 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)NCC1CCCCC1 ZINC000419564253 192142060 /nfs/dbraw/zinc/14/20/60/192142060.db2.gz CBSKAZARRGIMSG-VIFPVBQESA-N 0 3 241.335 0.146 20 0 BCADHN COC(=O)Cc1ccnc(N2CC(N(C)C)C2)c1 ZINC000596180541 348455283 /nfs/dbraw/zinc/45/52/83/348455283.db2.gz VEBCRMJQBNZDGU-UHFFFAOYSA-N 0 3 249.314 0.547 20 0 BCADHN CN(CCN)C(=O)C(=O)NCC1CCCCC1 ZINC000419569606 192142718 /nfs/dbraw/zinc/14/27/18/192142718.db2.gz MGCLCQZLVHCATK-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN CCN1CC[C@H](N(C)Cc2noc(C)n2)C1 ZINC000596213224 348467583 /nfs/dbraw/zinc/46/75/83/348467583.db2.gz WNSFEBBMAPNSON-JTQLQIEISA-N 0 3 224.308 0.904 20 0 BCADHN CC[C@H](NC(=O)C(=O)N[C@H](C)CN)C(C)(C)C ZINC000419661120 192144573 /nfs/dbraw/zinc/14/45/73/192144573.db2.gz DCGPMHSDGWHAGD-BDAKNGLRSA-N 0 3 243.351 0.391 20 0 BCADHN CCOc1cccc(CN[C@H](CO)[C@@H](C)O)c1 ZINC000419789251 192145106 /nfs/dbraw/zinc/14/51/06/192145106.db2.gz ATOFLUNANKPMJQ-ZWNOBZJWSA-N 0 3 239.315 0.917 20 0 BCADHN CCC[C@H](O)[C@@H](CO)NCc1c(C)n[nH]c1C ZINC000419806545 192145528 /nfs/dbraw/zinc/14/55/28/192145528.db2.gz FNULYDBYWNGJPM-NEPJUHHUSA-N 0 3 241.335 0.638 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000419816693 192145708 /nfs/dbraw/zinc/14/57/08/192145708.db2.gz QSEAKCSOZRXTMX-OPRDCNLKSA-N 0 3 241.335 0.145 20 0 BCADHN C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(C)CCN ZINC000419814084 192145722 /nfs/dbraw/zinc/14/57/22/192145722.db2.gz OQDQHGCMLKPECT-NXEZZACHSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1ccccc1N(C)C ZINC000419824085 192145739 /nfs/dbraw/zinc/14/57/39/192145739.db2.gz YRHIUYNGVQJJMX-ZYHUDNBSSA-N 0 3 238.331 0.584 20 0 BCADHN Cc1cccc(CN[C@H](CO)[C@@H](C)O)c1 ZINC000419804117 192146086 /nfs/dbraw/zinc/14/60/86/192146086.db2.gz FWGWQYKDCJVHAY-ZYHUDNBSSA-N 0 3 209.289 0.826 20 0 BCADHN NC(=O)[C@@H]1CCN(Cc2ccc(CO)o2)C1 ZINC000535775844 323191033 /nfs/dbraw/zinc/19/10/33/323191033.db2.gz NIYCDYOLWBDIPR-MRVPVSSYSA-N 0 3 224.260 0.079 20 0 BCADHN CCC[C@@H](O)[C@H](CO)NCc1ccn(C)c1 ZINC000419831532 192146887 /nfs/dbraw/zinc/14/68/87/192146887.db2.gz UTCGDALCWKVOAL-NWDGAFQWSA-N 0 3 226.320 0.637 20 0 BCADHN CC[C@H](C(=O)NCCN(C)CC)[C@H](C)O ZINC000419877536 192147424 /nfs/dbraw/zinc/14/74/24/192147424.db2.gz RBFSTSDYXCPYAT-UWVGGRQHSA-N 0 3 216.325 0.461 20 0 BCADHN CC[C@H](C(=O)NCCN(C)CCOC)[C@@H](C)O ZINC000419894029 192148382 /nfs/dbraw/zinc/14/83/82/192148382.db2.gz KYLMHLVNIVYPST-MNOVXSKESA-N 0 3 246.351 0.088 20 0 BCADHN CC[C@H](C(=O)N(C)CCN1CCCC1)[C@@H](C)O ZINC000419899973 192149094 /nfs/dbraw/zinc/14/90/94/192149094.db2.gz RSGZRKPSXFLDNF-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@H]1CCCN(C(=O)C(=O)N[C@H](C)CN)C1 ZINC000420006681 192152259 /nfs/dbraw/zinc/15/22/59/192152259.db2.gz RCKBHATYKASQJY-ZJUUUORDSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000420018402 192153844 /nfs/dbraw/zinc/15/38/44/192153844.db2.gz YAFFEFYKRQIIOO-OPRDCNLKSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@@H](C)CN(CC)C(=O)C(=O)N[C@H](C)CN ZINC000419987424 192155121 /nfs/dbraw/zinc/15/51/21/192155121.db2.gz DNWMHMFLWPXSQZ-NXEZZACHSA-N 0 3 243.351 0.344 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)CN(C)C)[C@@H](C)O ZINC000420113062 192162264 /nfs/dbraw/zinc/16/22/64/192162264.db2.gz DVIOLTXSMUWKMQ-IVZWLZJFSA-N 0 3 216.325 0.460 20 0 BCADHN COC(=O)CC1(NCc2cnc(C)n2C)CC1 ZINC000597157677 348665980 /nfs/dbraw/zinc/66/59/80/348665980.db2.gz HQPGBCWHTFNQKD-UHFFFAOYSA-N 0 3 237.303 0.914 20 0 BCADHN CC(C)C(=O)NCCCCN1CCN(C)CC1 ZINC000041362619 348624948 /nfs/dbraw/zinc/62/49/48/348624948.db2.gz OLNLTROBPZPXOE-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN CS[C@@H]1CC[C@H]1N[C@H]1CCNC1=O ZINC000597171622 348668409 /nfs/dbraw/zinc/66/84/09/348668409.db2.gz XUVQYRRMAKROIO-GJMOJQLCSA-N 0 3 200.307 0.359 20 0 BCADHN CC[C@@H](COC)N[C@@H]1CCO[C@@H]1C(=O)OC ZINC000597186657 348683817 /nfs/dbraw/zinc/68/38/17/348683817.db2.gz KWVZEAVNSILHFI-AEJSXWLSSA-N 0 3 231.292 0.332 20 0 BCADHN CCn1cncc1CN[C@H]1C[C@H](C(=O)OC)C1 ZINC000597246838 348689024 /nfs/dbraw/zinc/68/90/24/348689024.db2.gz UKOXTFVQUUTKRH-MGCOHNPYSA-N 0 3 237.303 0.944 20 0 BCADHN CCn1cc(CN[C@H]2C[C@@H](C(=O)OC)C2)cn1 ZINC000597219797 348691155 /nfs/dbraw/zinc/69/11/55/348691155.db2.gz BMVBPNLLGJHORS-PHIMTYICSA-N 0 3 237.303 0.944 20 0 BCADHN CCC[C@H](C)N(C)CC(=O)N1CCOCC1 ZINC000048071118 348702786 /nfs/dbraw/zinc/70/27/86/348702786.db2.gz JHMNMQKZOKPSDS-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN C[C@H](N[C@@H]1COC[C@@H]1O)[C@@H]1CCCCO1 ZINC000393600440 352539416 /nfs/dbraw/zinc/53/94/16/352539416.db2.gz QYTHGJRBINABNO-VLEAKVRGSA-N 0 3 215.293 0.293 20 0 BCADHN CSC1(C(=O)N[C@H](CO)CN(C)C)CCC1 ZINC000597654277 348776159 /nfs/dbraw/zinc/77/61/59/348776159.db2.gz RHXLSZMIQIQTJR-VIFPVBQESA-N 0 3 246.376 0.311 20 0 BCADHN CC[C@H](OC)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421704541 192374259 /nfs/dbraw/zinc/37/42/59/192374259.db2.gz OYDAXOPJQMNWDD-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N(C)C[C@H]2CCCN2C)CO1 ZINC000421708922 192375100 /nfs/dbraw/zinc/37/51/00/192375100.db2.gz BOYNGWGLXKXQOO-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CO[C@H](C(=O)N(C)C[C@@H]1CCCN1C)C1CC1 ZINC000421709772 192375633 /nfs/dbraw/zinc/37/56/33/192375633.db2.gz HAMWGHPOSSLFEQ-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C)Cc1ccc(C(=O)NCCO)cc1 ZINC000035187779 358455122 /nfs/dbraw/zinc/45/51/22/358455122.db2.gz AGTQWRRBKXWMFK-UHFFFAOYSA-N 0 3 222.288 0.470 20 0 BCADHN CC(=O)C[C@@H](C)NC(=O)[C@H]1CCN(C)C1 ZINC000536593023 323198299 /nfs/dbraw/zinc/19/82/99/323198299.db2.gz WJVMENKPLBJTLQ-SCZZXKLOSA-N 0 3 212.293 0.422 20 0 BCADHN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000054140413 490196656 /nfs/dbraw/zinc/19/66/56/490196656.db2.gz WBTVHKVCWKBKHL-SSDOTTSWSA-N 0 3 247.295 0.094 20 0 BCADHN COC(=O)CCCN1CC[C@H](C)[C@@H](CO)C1 ZINC000598651042 349012347 /nfs/dbraw/zinc/01/23/47/349012347.db2.gz QFERKJDMPHGVCZ-WDEREUQCSA-N 0 3 229.320 0.890 20 0 BCADHN CCOCCN1CCNC[C@@H]1C(F)F ZINC000308892459 349025814 /nfs/dbraw/zinc/02/58/14/349025814.db2.gz XPRFPMSDIJXDDO-MRVPVSSYSA-N 0 3 208.252 0.562 20 0 BCADHN COCCN(C)CCNC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421765651 192380791 /nfs/dbraw/zinc/38/07/91/192380791.db2.gz ZNJAXNPKOVRJIM-AAEUAGOBSA-N 0 3 240.347 0.871 20 0 BCADHN COCCCN(C)CCNC(=O)[C@H](C)N(C)C ZINC000078750519 490226385 /nfs/dbraw/zinc/22/63/85/490226385.db2.gz PTRRBQVEVQTJPT-NSHDSACASA-N 0 3 245.367 0.021 20 0 BCADHN CN1CCC(NC(=O)[C@@H]2CCCCN2C)CC1 ZINC000599297165 349150385 /nfs/dbraw/zinc/15/03/85/349150385.db2.gz OSOHEYZPBNUFHV-LBPRGKRZSA-N 0 3 239.363 0.681 20 0 BCADHN COC(=O)CCCCN1CCNC(=O)C[C@@H]1C ZINC000599337565 349151358 /nfs/dbraw/zinc/15/13/58/349151358.db2.gz CCPOQYTYBHECAI-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN CO[C@H](C)C(=O)NCCN1CCCC1 ZINC000055036329 349124977 /nfs/dbraw/zinc/12/49/77/349124977.db2.gz DWNJCNCBWSSJIB-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN CCO[C@@H](CC)C(=O)NC[C@H](C)N(C)C ZINC000057340479 349133603 /nfs/dbraw/zinc/13/36/03/349133603.db2.gz STQPXJJFSLDUBY-UWVGGRQHSA-N 0 3 216.325 0.868 20 0 BCADHN COC(=O)CCCCN1CCSC[C@H]1CO ZINC000599339226 349151941 /nfs/dbraw/zinc/15/19/41/349151941.db2.gz KMSVTCXUDTZPLO-SNVBAGLBSA-N 0 3 247.360 0.739 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)C[C@H](O)C1CC1 ZINC000599307584 349143305 /nfs/dbraw/zinc/14/33/05/349143305.db2.gz VIPQUENAKPIQGA-QWRGUYRKSA-N 0 3 245.319 0.003 20 0 BCADHN COC(=O)CCCCN1CC[C@H](O)[C@H](CO)C1 ZINC000599437491 349176723 /nfs/dbraw/zinc/17/67/23/349176723.db2.gz RGFQNQSHZBTXOS-QWRGUYRKSA-N 0 3 245.319 0.005 20 0 BCADHN COC(=O)CCCCN1CCC[C@](O)(CO)C1 ZINC000599439096 349177666 /nfs/dbraw/zinc/17/76/66/349177666.db2.gz XKOLQTOTMDOOGE-GFCCVEGCSA-N 0 3 245.319 0.149 20 0 BCADHN CCOC(=O)C[C@H](O)CN1C[C@@H](C)[C@H]1C ZINC000599429478 349187506 /nfs/dbraw/zinc/18/75/06/349187506.db2.gz YUTGZZYBZNTTQN-BBBLOLIVSA-N 0 3 215.293 0.641 20 0 BCADHN CCOC(=O)C[C@H](O)CN1C[C@@H](C)[C@@H]1C ZINC000599429480 349187625 /nfs/dbraw/zinc/18/76/25/349187625.db2.gz YUTGZZYBZNTTQN-UTLUCORTSA-N 0 3 215.293 0.641 20 0 BCADHN C[C@H](C(=O)N1CCN(C)C[C@H]1CN)C1CC1 ZINC000251616272 349189211 /nfs/dbraw/zinc/18/92/11/349189211.db2.gz PZBMAKLJVNBBNB-GXSJLCMTSA-N 0 3 225.336 0.134 20 0 BCADHN COC(=O)C1(O)CCN(C[C@@H]2C[C@@H]2C)CC1 ZINC000599347915 349155326 /nfs/dbraw/zinc/15/53/26/349155326.db2.gz WYFVWDAFKCHHHZ-UWVGGRQHSA-N 0 3 227.304 0.642 20 0 BCADHN C[C@H]1CSCCN([C@H]2CCNC2=O)C1 ZINC000249130065 349156010 /nfs/dbraw/zinc/15/60/10/349156010.db2.gz XVQZGAOALNZASV-BDAKNGLRSA-N 0 3 214.334 0.560 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCSC[C@H](C)C1 ZINC000248951735 349157413 /nfs/dbraw/zinc/15/74/13/349157413.db2.gz BEZYFRCZRZNRIH-HTQZYQBOSA-N 0 3 245.348 0.255 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCC[C@@]1(C)CO ZINC000599364513 349160979 /nfs/dbraw/zinc/16/09/79/349160979.db2.gz LABGPCOOTKOOGG-JQWIXIFHSA-N 0 3 245.319 0.147 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CC[C@](O)(CC)C1 ZINC000599377092 349162242 /nfs/dbraw/zinc/16/22/42/349162242.db2.gz HLJQSXCNHDXMHU-CMPLNLGQSA-N 0 3 245.319 0.147 20 0 BCADHN COC(=O)CN1CCN(C[C@@H]2C[C@@H]2C)CC1 ZINC000599380155 349163155 /nfs/dbraw/zinc/16/31/55/349163155.db2.gz CIPZEVJGYQJZPV-QWRGUYRKSA-N 0 3 226.320 0.433 20 0 BCADHN CCN(C[C@H]1CCOC1)C(=O)[C@@H]1CCCN1C ZINC000599401937 349172492 /nfs/dbraw/zinc/17/24/92/349172492.db2.gz JYYSBIWOFDPFRG-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(CCC[C@@H](C)O)C1 ZINC000599557997 349217355 /nfs/dbraw/zinc/21/73/55/349217355.db2.gz CTWFMDDFVUKSHY-ZYHUDNBSSA-N 0 3 245.319 0.411 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)CC1(C)COC1 ZINC000599572428 349224084 /nfs/dbraw/zinc/22/40/84/349224084.db2.gz AGAICHWEWVGSAK-JTQLQIEISA-N 0 3 245.319 0.269 20 0 BCADHN C[C@H](CO)CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599633163 349237057 /nfs/dbraw/zinc/23/70/57/349237057.db2.gz COISTWQJLSAQBZ-BQVMBELUSA-N 0 3 231.361 0.600 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCCC2(CC2)CC1 ZINC000599672156 349240225 /nfs/dbraw/zinc/24/02/25/349240225.db2.gz BKJMGAYASATLBZ-SECBINFHSA-N 0 3 239.319 0.836 20 0 BCADHN COC(=O)CCCCN1CCC(CO)(CO)C1 ZINC000599474320 349194922 /nfs/dbraw/zinc/19/49/22/349194922.db2.gz OHTPNFNFFBJRIZ-UHFFFAOYSA-N 0 3 245.319 0.006 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@]1(O)CCOC1 ZINC000229640382 179824760 /nfs/dbraw/zinc/82/47/60/179824760.db2.gz BZQWPEGGRZNHKA-LLVKDONJSA-N 0 3 225.292 0.268 20 0 BCADHN CN1CCCN(Cc2ccc(CO)o2)CC1 ZINC000160962030 349343969 /nfs/dbraw/zinc/34/39/69/349343969.db2.gz AZURJARCNLUZFI-UHFFFAOYSA-N 0 3 224.304 0.909 20 0 BCADHN CC(C)(C)NC(=O)CN[C@H]1CCCOC1 ZINC000071013332 490252636 /nfs/dbraw/zinc/25/26/36/490252636.db2.gz GYSBLJQWIIQGEN-VIFPVBQESA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N(CC)CCCO ZINC000160730483 349314960 /nfs/dbraw/zinc/31/49/60/349314960.db2.gz DIDJSZLWYNXIHK-QWRGUYRKSA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)N(CC)CCCO ZINC000160730393 349314984 /nfs/dbraw/zinc/31/49/84/349314984.db2.gz DIDJSZLWYNXIHK-MNOVXSKESA-N 0 3 230.352 0.994 20 0 BCADHN CC(C)[C@H](C(=O)NCCC1(O)CCC1)N(C)C ZINC000357162656 190983029 /nfs/dbraw/zinc/98/30/29/190983029.db2.gz PQMIDGURNNDTSS-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN COC[C@H](C)NCC(=O)NCc1ccccc1 ZINC000020303261 349396536 /nfs/dbraw/zinc/39/65/36/349396536.db2.gz HJVYMSSWSLSGSX-NSHDSACASA-N 0 3 236.315 0.927 20 0 BCADHN COC[C@@H](O)CN1CCC[C@H](n2ccnc2)C1 ZINC000601835845 349362994 /nfs/dbraw/zinc/36/29/94/349362994.db2.gz DTKSFXHTVPCBBZ-RYUDHWBXSA-N 0 3 239.319 0.527 20 0 BCADHN Cc1nnc(C(=O)N2C[C@H](C)NC[C@@H]2C)s1 ZINC000623059242 349382981 /nfs/dbraw/zinc/38/29/81/349382981.db2.gz UROPOYRMCCSOMS-BQBZGAKWSA-N 0 3 240.332 0.669 20 0 BCADHN NC[C@H](NC(=O)C(=O)c1ccc[nH]1)C1CCCC1 ZINC000623061852 349425462 /nfs/dbraw/zinc/42/54/62/349425462.db2.gz HCKSMKZXGHMZGG-NSHDSACASA-N 0 3 249.314 0.831 20 0 BCADHN Cc1ncc(CNCCCC(=O)N(C)C)o1 ZINC000397917429 362948255 /nfs/dbraw/zinc/94/82/55/362948255.db2.gz LHIVJPFPDWVOFH-UHFFFAOYSA-N 0 3 225.292 0.941 20 0 BCADHN CC(C)(C)[C@H](CN)NC(=O)C(=O)c1ccc[nH]1 ZINC000623068578 350007962 /nfs/dbraw/zinc/00/79/62/350007962.db2.gz DRKWSEIWYDUSIO-VIFPVBQESA-N 0 3 237.303 0.687 20 0 BCADHN CN(CCN1CCCC1)c1cc(C#N)cnn1 ZINC000396991560 350027997 /nfs/dbraw/zinc/02/79/97/350027997.db2.gz PAXZGVQNSAHMRC-UHFFFAOYSA-N 0 3 231.303 0.880 20 0 BCADHN COC[C@@H](C)NCc1ccc(C(=O)OC)n1C ZINC000601999806 349411035 /nfs/dbraw/zinc/41/10/35/349411035.db2.gz SUZYFJBYMXHSFU-SECBINFHSA-N 0 3 240.303 0.936 20 0 BCADHN COC(=O)c1ccc(CN[C@@H](C)CCO)n1C ZINC000602004396 349411593 /nfs/dbraw/zinc/41/15/93/349411593.db2.gz FOVLOCUAZPKHDC-VIFPVBQESA-N 0 3 240.303 0.672 20 0 BCADHN COC(=O)c1ccc(CN[C@H]2C[C@@H](O)C2)n1C ZINC000602022572 349419899 /nfs/dbraw/zinc/41/98/99/349419899.db2.gz YYIUZOWIBHSMHT-WAAGHKOSSA-N 0 3 238.287 0.425 20 0 BCADHN COC(=O)c1ccc(CN[C@H]2C[C@H](O)C2)n1C ZINC000602029842 349420738 /nfs/dbraw/zinc/42/07/38/349420738.db2.gz YYIUZOWIBHSMHT-CZMCAQCFSA-N 0 3 238.287 0.425 20 0 BCADHN CNCC(=O)Nc1nc(C(C)=O)cs1 ZINC000070886010 350073086 /nfs/dbraw/zinc/07/30/86/350073086.db2.gz NHMZHWYETIFLPI-UHFFFAOYSA-N 0 3 213.262 0.504 20 0 BCADHN CC(C)OC[C@@H](O)CNCc1ccnn1C ZINC000070905099 350074655 /nfs/dbraw/zinc/07/46/55/350074655.db2.gz JIJNQAYFJVQVER-NSHDSACASA-N 0 3 227.308 0.296 20 0 BCADHN CN(C)C[C@H]1CCCN1c1cc(C#N)cnn1 ZINC000397002778 350034262 /nfs/dbraw/zinc/03/42/62/350034262.db2.gz UQROZXSVJKFRQQ-LLVKDONJSA-N 0 3 231.303 0.879 20 0 BCADHN CN(C)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000603819653 350039046 /nfs/dbraw/zinc/03/90/46/350039046.db2.gz KHUIEBMZQZYWBP-CQSZACIVSA-N 0 3 248.326 0.712 20 0 BCADHN C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H](C)N1 ZINC000397038661 350061703 /nfs/dbraw/zinc/06/17/03/350061703.db2.gz HYKSVGSHFNCMOY-DTORHVGOSA-N 0 3 217.276 0.535 20 0 BCADHN Cc1cccnc1CNC[C@H](O)Cn1cccn1 ZINC000071344012 350099886 /nfs/dbraw/zinc/09/98/86/350099886.db2.gz RMADKMOYKSBUFQ-LBPRGKRZSA-N 0 3 246.314 0.737 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CC23CC3)[C@@H](C)CN1 ZINC000422633321 192432136 /nfs/dbraw/zinc/43/21/36/192432136.db2.gz OFTFQQYDYAXCBM-UTLUCORTSA-N 0 3 208.305 0.995 20 0 BCADHN Cc1nc(N[C@@H](C)CN(C)C)cc2nncn21 ZINC000298894291 180023165 /nfs/dbraw/zinc/02/31/65/180023165.db2.gz MOKVUZWTRMIVMJ-QMMMGPOBSA-N 0 3 234.307 0.795 20 0 BCADHN CC[C@@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000632089124 350098262 /nfs/dbraw/zinc/09/82/62/350098262.db2.gz UDXHOYWOYJUIDK-LLVKDONJSA-N 0 3 248.392 1.000 20 0 BCADHN Cc1nnc([C@@H]2CCCN([C@H](C)C(N)=O)C2)[nH]1 ZINC000268445488 180042668 /nfs/dbraw/zinc/04/26/68/180042668.db2.gz HXRLBVDNZQELLX-VXNVDRBHSA-N 0 3 237.307 0.166 20 0 BCADHN Cc1nnc([C@@H]2CCCN(C(=O)C3(N)CC3)C2)[nH]1 ZINC000353206022 180042939 /nfs/dbraw/zinc/04/29/39/180042939.db2.gz PPPWUMVENKDWQQ-SECBINFHSA-N 0 3 249.318 0.310 20 0 BCADHN Cc1nnc([C@@H]2CCCN(C(=O)C3C[NH2+]C3)C2)[n-]1 ZINC000342155898 180043058 /nfs/dbraw/zinc/04/30/58/180043058.db2.gz JLPCGKUDHKJJTG-SECBINFHSA-N 0 3 249.318 0.039 20 0 BCADHN C[C@@H](NC[C@]1(O)CCOC1)c1ccnn1C ZINC000219290558 350120136 /nfs/dbraw/zinc/12/01/36/350120136.db2.gz NBQRYZNIVSORKZ-MWLCHTKSSA-N 0 3 225.292 0.222 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@H](C)N(C)C1CC1 ZINC000132152515 191026844 /nfs/dbraw/zinc/02/68/44/191026844.db2.gz HQJZCISGCVANDJ-UWVGGRQHSA-N 0 3 248.392 0.492 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@H]1CCCNC(=O)C1 ZINC000229001448 490318521 /nfs/dbraw/zinc/31/85/21/490318521.db2.gz XQUJEQSYTZPPMY-UWVGGRQHSA-N 0 3 241.335 0.158 20 0 BCADHN CCOCCCCN[C@@H](C)CS(C)(=O)=O ZINC000132113637 191025059 /nfs/dbraw/zinc/02/50/59/191025059.db2.gz CYVQPHRCHCRSCL-JTQLQIEISA-N 0 3 237.365 0.826 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@@H]1CCCN1C ZINC000132124459 191025130 /nfs/dbraw/zinc/02/51/30/191025130.db2.gz WSSUOPLWUZODNP-UWVGGRQHSA-N 0 3 234.365 0.103 20 0 BCADHN CCN(CCN[C@H](C)CS(C)(=O)=O)C1CC1 ZINC000132140555 191025261 /nfs/dbraw/zinc/02/52/61/191025261.db2.gz OOSCTPCYZRYTPE-SNVBAGLBSA-N 0 3 248.392 0.493 20 0 BCADHN COCCNCCNC(=O)CC(C)(C)C ZINC000212789595 350130384 /nfs/dbraw/zinc/13/03/84/350130384.db2.gz MWFBJLCYFZRSIN-UHFFFAOYSA-N 0 3 216.325 0.775 20 0 BCADHN CC(C)[C@H](CCO)NCC(=O)N(C)C1CC1 ZINC000132394090 191031775 /nfs/dbraw/zinc/03/17/75/191031775.db2.gz GUUOFJDTFHMIBU-NSHDSACASA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@@](C)(NCCOCC1CC1)C(N)=O ZINC000133258745 191039320 /nfs/dbraw/zinc/03/93/20/191039320.db2.gz JHJBFSCXROESMO-LLVKDONJSA-N 0 3 214.309 0.657 20 0 BCADHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCCNC1=O)CC2 ZINC000330055033 180112641 /nfs/dbraw/zinc/11/26/41/180112641.db2.gz SYWXIQJINPFTBM-UWVGGRQHSA-N 0 3 249.318 0.610 20 0 BCADHN Cc1ncc(C(=O)N[C@@H](C)CN(C)C)c(C)n1 ZINC000287353827 180132096 /nfs/dbraw/zinc/13/20/96/180132096.db2.gz ZVJZVKYMCUAJMC-QMMMGPOBSA-N 0 3 236.319 0.773 20 0 BCADHN CSC1(CNC(=O)[C@H](C)O)CCN(C)CC1 ZINC000427144785 191054650 /nfs/dbraw/zinc/05/46/50/191054650.db2.gz VVIDPYUBINZREA-VIFPVBQESA-N 0 3 246.376 0.311 20 0 BCADHN CN(CCCCO)C(=O)[C@@H]1CCCN1C1CC1 ZINC000427238348 191057315 /nfs/dbraw/zinc/05/73/15/191057315.db2.gz IPYSADZDEGNPLL-LBPRGKRZSA-N 0 3 240.347 0.844 20 0 BCADHN Cc1nc(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)c[nH]1 ZINC000362255387 180127425 /nfs/dbraw/zinc/12/74/25/180127425.db2.gz GZYFGKVXFJCEBU-JQWIXIFHSA-N 0 3 248.330 0.884 20 0 BCADHN CCn1nccc1CNC[C@H]1COCCO1 ZINC000162682927 350192383 /nfs/dbraw/zinc/19/23/83/350192383.db2.gz GZSLQEHOFFPFEP-NSHDSACASA-N 0 3 225.292 0.408 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-][C@H](C)C[NH3+])s1 ZINC000221338155 180171582 /nfs/dbraw/zinc/17/15/82/180171582.db2.gz KZSOHQMMCGQZPZ-RXMQYKEDSA-N 0 3 235.334 0.077 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-]C(C)(C)C[NH3+])s1 ZINC000226709809 180171617 /nfs/dbraw/zinc/17/16/17/180171617.db2.gz MYRQEBGPPMBLLI-UHFFFAOYSA-N 0 3 249.361 0.467 20 0 BCADHN CC[C@H](N)c1cn(C[C@@H]2CCOC2)nn1 ZINC000229942583 490368601 /nfs/dbraw/zinc/36/86/01/490368601.db2.gz CLWYCECQLLXMGV-IUCAKERBSA-N 0 3 210.281 0.724 20 0 BCADHN Cc1ncc(CN2CC[C@@H](CO)[C@@H]2C)cn1 ZINC000352405521 180145047 /nfs/dbraw/zinc/14/50/47/180145047.db2.gz IFFWDKXAOHENSR-CABZTGNLSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1ncc(CN2CC[C@H](C(N)=O)C2)s1 ZINC000098133160 180146250 /nfs/dbraw/zinc/14/62/50/180146250.db2.gz KQPHARIVOMVTFP-QMMMGPOBSA-N 0 3 225.317 0.759 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)Nc1nncs1 ZINC000049069935 191070242 /nfs/dbraw/zinc/07/02/42/191070242.db2.gz BXICLLBSVDLLBW-SSDOTTSWSA-N 0 3 241.320 0.754 20 0 BCADHN Cc1ncc(CN2CC[C@H](CO)[C@@H]2C)cn1 ZINC000352405522 180146726 /nfs/dbraw/zinc/14/67/26/180146726.db2.gz IFFWDKXAOHENSR-JOYOIKCWSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1ncc(CN2CC[C@@H](C)[C@@H]2CO)cn1 ZINC000352423632 180146808 /nfs/dbraw/zinc/14/68/08/180146808.db2.gz YNBPUEUIWURCFQ-SKDRFNHKSA-N 0 3 221.304 0.988 20 0 BCADHN CC[C@@H](N)c1cn([C@H](CC)C(N)=O)nn1 ZINC000229951366 490369609 /nfs/dbraw/zinc/36/96/09/490369609.db2.gz UAPRBOGCYRAZBO-HTRCEHHLSA-N 0 3 211.269 0.124 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@H](C)N)CCS1 ZINC000121602298 191072304 /nfs/dbraw/zinc/07/23/04/191072304.db2.gz BEACQFSZTKFRHV-IUCAKERBSA-N 0 3 216.350 0.934 20 0 BCADHN C[C@@H](NCc1cnc(N(C)C)nc1)C(C)(C)O ZINC000604764953 350185637 /nfs/dbraw/zinc/18/56/37/350185637.db2.gz JHAWZLBMTPHXKI-SECBINFHSA-N 0 3 238.335 0.792 20 0 BCADHN Cc1ncc(CNC[C@@H](O)C(C)C)cn1 ZINC000336761013 180151295 /nfs/dbraw/zinc/15/12/95/180151295.db2.gz MSQCMDQWZNABQK-LLVKDONJSA-N 0 3 209.293 0.892 20 0 BCADHN Cc1ncc(CNC[C@@H](C)CCO)cn1 ZINC000336770869 180151988 /nfs/dbraw/zinc/15/19/88/180151988.db2.gz XBVFJOUAMHEWQX-VIFPVBQESA-N 0 3 209.293 0.893 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1CCC[C@@H]1O ZINC000637147591 350219975 /nfs/dbraw/zinc/21/99/75/350219975.db2.gz SUKJSIJUUMJSCB-GUBZILKMSA-N 0 3 229.324 0.149 20 0 BCADHN Cc1nocc1CNC(=O)N[C@@H](C)CN(C)C ZINC000637147336 350220335 /nfs/dbraw/zinc/22/03/35/350220335.db2.gz KDEXOAUXKNZVCV-QMMMGPOBSA-N 0 3 240.307 0.732 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)C[C@H]1C[C@@H](O)C1 ZINC000637147566 350220345 /nfs/dbraw/zinc/22/03/45/350220345.db2.gz SHTAZFOLHPFWKI-GARJFASQSA-N 0 3 243.351 0.349 20 0 BCADHN CCCC[C@@H](N)C(=O)NCC[C@@H](O)CC ZINC000154451199 191077337 /nfs/dbraw/zinc/07/73/37/191077337.db2.gz GPDIARSOQLFBKK-VHSXEESVSA-N 0 3 216.325 0.781 20 0 BCADHN Cc1cccc(OC[C@@H](O)CN(C)CCO)c1 ZINC000005755714 350201726 /nfs/dbraw/zinc/20/17/26/350201726.db2.gz WMHHUBSIPDYEOY-LBPRGKRZSA-N 0 3 239.315 0.659 20 0 BCADHN CNS(=O)(=O)CCN1CCC[C@@H](C)[C@@H]1C ZINC000621259154 350209056 /nfs/dbraw/zinc/20/90/56/350209056.db2.gz MMXGNJWCBSXEOQ-ZJUUUORDSA-N 0 3 234.365 0.656 20 0 BCADHN Cc1nccc(CN2CC[C@H](C)[C@@H]2CO)n1 ZINC000353121958 180185448 /nfs/dbraw/zinc/18/54/48/180185448.db2.gz TWZDDKPKRZCRKO-CABZTGNLSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1nccc(CNC(=O)[C@@]2(C)CCCCN2)n1 ZINC000136178496 180186876 /nfs/dbraw/zinc/18/68/76/180186876.db2.gz QHXOUWGQWHCLDY-CYBMUJFWSA-N 0 3 248.330 0.933 20 0 BCADHN Cc1ncccc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358051863 180211324 /nfs/dbraw/zinc/21/13/24/180211324.db2.gz SAERSXKFFLUTFG-ZDUSSCGKSA-N 0 3 249.314 0.186 20 0 BCADHN C[C@@H](CCO)NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000124713854 490399610 /nfs/dbraw/zinc/39/96/10/490399610.db2.gz PDTJYUMAPCSHFT-JQWIXIFHSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1nccn1CC(=O)N1CCCNCC1 ZINC000042354865 180229696 /nfs/dbraw/zinc/22/96/96/180229696.db2.gz HHUJFZWACYEKSR-UHFFFAOYSA-N 0 3 222.292 0.013 20 0 BCADHN Cc1nccn1CC(=O)N1CCNC(C)(C)C1 ZINC000334699362 180229744 /nfs/dbraw/zinc/22/97/44/180229744.db2.gz DVMFTMIISXCITQ-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN Cc1nn(C)cc1CNC[C@H]1CCC[C@@H]1O ZINC000126060932 191082309 /nfs/dbraw/zinc/08/23/09/191082309.db2.gz UCCFILHHCLRBMV-PWSUYJOCSA-N 0 3 223.320 0.979 20 0 BCADHN Cc1nccn1CCCN1CCOCC1 ZINC000175530927 180240069 /nfs/dbraw/zinc/24/00/69/180240069.db2.gz IBOVHEAYBUJLNG-UHFFFAOYSA-N 0 3 209.293 0.914 20 0 BCADHN CN1CC[C@H](C(=O)Nc2ccnc3ccnn32)C1 ZINC000605022403 350240004 /nfs/dbraw/zinc/24/00/04/350240004.db2.gz WMLQFVVIRNTJHO-VIFPVBQESA-N 0 3 245.286 0.620 20 0 BCADHN Cc1nccn1CCN1CCCC[C@H]1C(N)=O ZINC000270848751 180249243 /nfs/dbraw/zinc/24/92/43/180249243.db2.gz PEXHYSWCPHZALT-NSHDSACASA-N 0 3 236.319 0.531 20 0 BCADHN Cc1conc1C(=O)NC[C@H]1CCCN1C ZINC000631282904 350243945 /nfs/dbraw/zinc/24/39/45/350243945.db2.gz BFQNBHKBUDTMGY-SECBINFHSA-N 0 3 223.276 0.807 20 0 BCADHN Cc1nccn1CCN(C)[C@H]1CCOC1 ZINC000270896177 180251214 /nfs/dbraw/zinc/25/12/14/180251214.db2.gz QCGKPRJJVDJVNK-NSHDSACASA-N 0 3 209.293 0.912 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H](N)CC(F)F)CO1 ZINC000402394802 350253982 /nfs/dbraw/zinc/25/39/82/350253982.db2.gz XLJBPLPTFBWBRV-VQVTYTSYSA-N 0 3 222.235 0.263 20 0 BCADHN Cc1nccn1CCCNC(=O)[C@H](C)N ZINC000308837381 180244854 /nfs/dbraw/zinc/24/48/54/180244854.db2.gz LVSCPOCGANCMPP-QMMMGPOBSA-N 0 3 210.281 0.045 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CN(C)C ZINC000427717801 191090259 /nfs/dbraw/zinc/09/02/59/191090259.db2.gz IYRXHSQLWFWRSA-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)CN1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000049970361 350269963 /nfs/dbraw/zinc/26/99/63/350269963.db2.gz BOAJDTJIESKRFW-GFCCVEGCSA-N 0 3 241.379 0.737 20 0 BCADHN Cc1nccn1C[C@@H](C)CNC(=O)C1(N)CC1 ZINC000262171016 180266249 /nfs/dbraw/zinc/26/62/49/180266249.db2.gz XIEZWMCBNLPYKY-VIFPVBQESA-N 0 3 236.319 0.435 20 0 BCADHN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H](C)N ZINC000178847759 180267843 /nfs/dbraw/zinc/26/78/43/180267843.db2.gz QZEZVSGYRJFCLL-GXSJLCMTSA-N 0 3 236.319 0.530 20 0 BCADHN COCc1cccc(CNC(=O)CN)c1 ZINC000038010968 350296722 /nfs/dbraw/zinc/29/67/22/350296722.db2.gz QHFDFLLSASJXSH-UHFFFAOYSA-N 0 3 208.261 0.408 20 0 BCADHN CC[C@@H](C)NC(=O)CCNC(=O)[C@H](N)CC ZINC000038014987 350298403 /nfs/dbraw/zinc/29/84/03/350298403.db2.gz AWKTUVFBKSULMC-RKDXNWHRSA-N 0 3 229.324 0.145 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CCCOC1 ZINC000038046142 350303562 /nfs/dbraw/zinc/30/35/62/350303562.db2.gz YVBVICHWVIYMEA-VWYCJHECSA-N 0 3 228.336 0.903 20 0 BCADHN CC[C@H](C(=O)NCCCCO)N(CC)CC ZINC000427845705 191094931 /nfs/dbraw/zinc/09/49/31/191094931.db2.gz QGSGAHNEPZHVSI-LLVKDONJSA-N 0 3 230.352 0.996 20 0 BCADHN Cc1ncncc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000356367976 180293555 /nfs/dbraw/zinc/29/35/55/180293555.db2.gz CUWLJLGLWVJBOO-RKDXNWHRSA-N 0 3 234.303 0.607 20 0 BCADHN CCOC[C@@H](O)CN(C)C[C@@H]1CCCCO1 ZINC000068950512 350312081 /nfs/dbraw/zinc/31/20/81/350312081.db2.gz IVPXOKAHAOUXJE-RYUDHWBXSA-N 0 3 231.336 0.885 20 0 BCADHN CCOC[C@@H](O)CN(CC)C[C@@H]1CCCO1 ZINC000068950523 350312275 /nfs/dbraw/zinc/31/22/75/350312275.db2.gz YFJVJZOKFAUSNY-RYUDHWBXSA-N 0 3 231.336 0.885 20 0 BCADHN CCN(CC)CCN[C@@H]1CCCS(=O)(=O)C1 ZINC000068939372 350313100 /nfs/dbraw/zinc/31/31/00/350313100.db2.gz CZRPMHZSOUQCIB-LLVKDONJSA-N 0 3 248.392 0.495 20 0 BCADHN CC(C)N(C)CCN[C@H]1CCCS(=O)(=O)C1 ZINC000068940384 350314194 /nfs/dbraw/zinc/31/41/94/350314194.db2.gz PVQSBXHQSLCSJD-NSHDSACASA-N 0 3 248.392 0.493 20 0 BCADHN CCN1CCCN(Cc2cn(C)nn2)CC1 ZINC000514620262 323326488 /nfs/dbraw/zinc/32/64/88/323326488.db2.gz YREVJCVQKJTJQP-UHFFFAOYSA-N 0 3 223.324 0.343 20 0 BCADHN CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000050457751 350342271 /nfs/dbraw/zinc/34/22/71/350342271.db2.gz QCNMYDNDRQNJTI-MNOVXSKESA-N 0 3 233.271 0.931 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCCCn1ccnc1 ZINC000050465512 350343642 /nfs/dbraw/zinc/34/36/42/350343642.db2.gz IYUPJBVMNBXCLA-VHSXEESVSA-N 0 3 222.292 0.127 20 0 BCADHN CNS(=O)(=O)CCN1C[C@@H](C)CC(C)(C)C1 ZINC000621276844 350362644 /nfs/dbraw/zinc/36/26/44/350362644.db2.gz VIYXQYCWRSYAGR-JTQLQIEISA-N 0 3 248.392 0.904 20 0 BCADHN COC(=O)CCCN(C)C(=O)C(C)(C)N ZINC000040923636 350404855 /nfs/dbraw/zinc/40/48/55/350404855.db2.gz MQQSOLLQVFWUKM-UHFFFAOYSA-N 0 3 216.281 0.135 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCCO[C@@H](C)C1 ZINC000069606197 350371659 /nfs/dbraw/zinc/37/16/59/350371659.db2.gz ZDYNARMYXVVWOT-RYUDHWBXSA-N 0 3 231.336 0.883 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NCC1(O)CCC1 ZINC000606658776 350406367 /nfs/dbraw/zinc/40/63/67/350406367.db2.gz WWZNBPIQFDTTAC-SNVBAGLBSA-N 0 3 241.335 0.295 20 0 BCADHN Cc1ncsc1CNC[C@@]1(O)CCN(C)C1 ZINC000336769733 180319441 /nfs/dbraw/zinc/31/94/41/180319441.db2.gz SKBSOQNZPGIAED-NSHDSACASA-N 0 3 241.360 0.608 20 0 BCADHN Cc1ncsc1CN[C@H](C)CC(N)=O ZINC000129363883 180322054 /nfs/dbraw/zinc/32/20/54/180322054.db2.gz TUGIVZIVZTVQLA-ZCFIWIBFSA-N 0 3 213.306 0.805 20 0 BCADHN COC(=O)CCNC(=O)[C@H](N)CC(C)C ZINC000040859692 350400830 /nfs/dbraw/zinc/40/08/30/350400830.db2.gz CFGNYZPEMLDHFJ-MRVPVSSYSA-N 0 3 216.281 0.039 20 0 BCADHN CCN(CC)CC(=O)NCC[C@@H](COC)OC ZINC000617232817 350401555 /nfs/dbraw/zinc/40/15/55/350401555.db2.gz IQGRWSRIAJSWJF-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN C[C@H](CCO)NC(=O)N[C@H]1CCCN(C)C1 ZINC000606650158 350402420 /nfs/dbraw/zinc/40/24/20/350402420.db2.gz BZGCEKZOGVAGCX-ZJUUUORDSA-N 0 3 229.324 0.151 20 0 BCADHN CC(C)CN1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000336683861 350439636 /nfs/dbraw/zinc/43/96/36/350439636.db2.gz SZXCKRFKNROCHO-LLVKDONJSA-N 0 3 248.392 0.904 20 0 BCADHN CCn1nccc1CN[C@H]1CCC(=O)NC1 ZINC000162694562 350413513 /nfs/dbraw/zinc/41/35/13/350413513.db2.gz QVZLWVOJQXSXRH-VIFPVBQESA-N 0 3 222.292 0.271 20 0 BCADHN CCCNS(=O)(=O)N1CCNC[C@@H]1CCC ZINC000427928398 191102038 /nfs/dbraw/zinc/10/20/38/191102038.db2.gz CTDNSBOUHDISBM-JTQLQIEISA-N 0 3 249.380 0.305 20 0 BCADHN CC(C)CN(C)CCN1CCCS1(=O)=O ZINC000336653923 350420281 /nfs/dbraw/zinc/42/02/81/350420281.db2.gz ZHZVXZWXZWYZQS-UHFFFAOYSA-N 0 3 234.365 0.610 20 0 BCADHN CC[C@@H](O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000336683343 350439030 /nfs/dbraw/zinc/43/90/30/350439030.db2.gz DPNQCMVRKWEIMO-QWHCGFSZSA-N 0 3 242.363 0.411 20 0 BCADHN Cc1nn(C)c(C)c1CN1CC[C@H](CO)C1 ZINC000082829279 180338007 /nfs/dbraw/zinc/33/80/07/180338007.db2.gz BFIDPPIPKRCIAV-NSHDSACASA-N 0 3 223.320 0.851 20 0 BCADHN Cc1nn(C)c(C)c1CN1C[C@H](O)C2(CC2)C1 ZINC000334852752 180338631 /nfs/dbraw/zinc/33/86/31/180338631.db2.gz MITJHLXOKJLUDM-LBPRGKRZSA-N 0 3 235.331 0.994 20 0 BCADHN Cc1nn(C)c(C)c1CNCCCCO ZINC000086110179 180340965 /nfs/dbraw/zinc/34/09/65/180340965.db2.gz GJFAROAOEBYRQH-UHFFFAOYSA-N 0 3 211.309 0.899 20 0 BCADHN COCCO[C@H]1CCN(CCn2cncn2)C1 ZINC000347227604 133814120 /nfs/dbraw/zinc/81/41/20/133814120.db2.gz MHZDJWNMJNXYFP-NSHDSACASA-N 0 3 240.307 0.015 20 0 BCADHN CC[C@@H](C(=O)NCC[C@@H](COC)OC)N(C)C ZINC000617237607 350451823 /nfs/dbraw/zinc/45/18/23/350451823.db2.gz QBDLLXQVAGHAER-QWRGUYRKSA-N 0 3 246.351 0.494 20 0 BCADHN CC[C@H](C(=O)NCC[C@H](COC)OC)N(C)C ZINC000617237605 350451906 /nfs/dbraw/zinc/45/19/06/350451906.db2.gz QBDLLXQVAGHAER-GHMZBOCLSA-N 0 3 246.351 0.494 20 0 BCADHN CC[C@H](C(=O)NCC[C@@H](COC)OC)N(C)C ZINC000617237608 350452072 /nfs/dbraw/zinc/45/20/72/350452072.db2.gz QBDLLXQVAGHAER-WDEREUQCSA-N 0 3 246.351 0.494 20 0 BCADHN CC[C@@H]1CCCN1CCN1CCCS1(=O)=O ZINC000336703877 350454701 /nfs/dbraw/zinc/45/47/01/350454701.db2.gz OVYOJOOZZQSBCZ-LLVKDONJSA-N 0 3 246.376 0.896 20 0 BCADHN Cc1nn(C)cc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262794969 180367680 /nfs/dbraw/zinc/36/76/80/180367680.db2.gz OCADNKPTAXKMBN-SCZZXKLOSA-N 0 3 236.319 0.551 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC[C@H](O)CN(C)C ZINC000361231221 180379871 /nfs/dbraw/zinc/37/98/71/180379871.db2.gz SIFAQXQPQBOXCZ-KOLCDFICSA-N 0 3 240.351 0.302 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NC(=O)[C@H](N)C(C)C ZINC000269049633 180380448 /nfs/dbraw/zinc/38/04/48/180380448.db2.gz QKBXCPDIRUAMKM-GZMMTYOYSA-N 0 3 238.335 0.889 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NCCn1cncn1 ZINC000358086974 180381105 /nfs/dbraw/zinc/38/11/05/180381105.db2.gz WZOHLQUYPQMGSH-VIFPVBQESA-N 0 3 234.307 0.671 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NCC(C)(C)C(N)=O ZINC000183206582 180381306 /nfs/dbraw/zinc/38/13/06/180381306.db2.gz OFHMQFIVYXSEQB-QMMMGPOBSA-N 0 3 238.335 0.891 20 0 BCADHN C[C@@]1(F)CNCCN(Cc2csnn2)C1 ZINC000571681610 323346856 /nfs/dbraw/zinc/34/68/56/323346856.db2.gz OOLOCPRIOJFJEK-SECBINFHSA-N 0 3 230.312 0.672 20 0 BCADHN CC(=O)N1CC[C@H](NC(=O)[C@@H](N)CC(C)C)C1 ZINC000163165108 350508779 /nfs/dbraw/zinc/50/87/79/350508779.db2.gz FLRXGGXJTBMFKL-QWRGUYRKSA-N 0 3 241.335 0.097 20 0 BCADHN CN(CCN1CCCCC1)CC(=O)NC1CC1 ZINC000163366112 350518734 /nfs/dbraw/zinc/51/87/34/350518734.db2.gz JKRNVAGCTHSFEH-UHFFFAOYSA-N 0 3 239.363 0.683 20 0 BCADHN O=C(Nc1nncs1)[C@]1(F)CCNC1 ZINC000163360103 350518807 /nfs/dbraw/zinc/51/88/07/350518807.db2.gz NAROUKNNLRRTTD-ZETCQYMHSA-N 0 3 216.241 0.178 20 0 BCADHN CCOCC(=O)NCCN1CCCCC1 ZINC000060522670 350500942 /nfs/dbraw/zinc/50/09/42/350500942.db2.gz GLDYRHZASLUKSX-UHFFFAOYSA-N 0 3 214.309 0.625 20 0 BCADHN C[C@@H](CCO)N(C)C(=O)NC[C@H]1CCCN1C ZINC000637379162 350503970 /nfs/dbraw/zinc/50/39/70/350503970.db2.gz FLDUEWZFEQQPIM-WDEREUQCSA-N 0 3 243.351 0.493 20 0 BCADHN COC(=O)CCN1CCCO[C@@H](C)C1 ZINC000061919397 350533716 /nfs/dbraw/zinc/53/37/16/350533716.db2.gz GLJIFIOIFKVOOX-VIFPVBQESA-N 0 3 201.266 0.660 20 0 BCADHN COC(=O)[C@H](C)CN1CCCO[C@@H](C)C1 ZINC000061919423 350533867 /nfs/dbraw/zinc/53/38/67/350533867.db2.gz GZPPMGZAGNHPRK-ZJUUUORDSA-N 0 3 215.293 0.906 20 0 BCADHN CC[C@@H](O)CN1CCN(CC(C)(C)O)CC1 ZINC000070558115 350536282 /nfs/dbraw/zinc/53/62/82/350536282.db2.gz GAEFMLLSYKLBSR-LLVKDONJSA-N 0 3 230.352 0.146 20 0 BCADHN O=C(NCCN1CCCC1)c1cn(C2CC2)nn1 ZINC000623545068 362965067 /nfs/dbraw/zinc/96/50/67/362965067.db2.gz ZREBMSMUDBLLQL-UHFFFAOYSA-N 0 3 249.318 0.439 20 0 BCADHN Cc1nnc(C(=O)N(C)CCN(C)C)s1 ZINC000185464567 180397940 /nfs/dbraw/zinc/39/79/40/180397940.db2.gz ROJUVWYJGCHYOS-UHFFFAOYSA-N 0 3 228.321 0.480 20 0 BCADHN CCn1cc(CNC[C@H]2COCCN2C)cn1 ZINC000623711513 362963951 /nfs/dbraw/zinc/96/39/51/362963951.db2.gz HGVXRECAYXBGDF-LBPRGKRZSA-N 0 3 238.335 0.323 20 0 BCADHN C[C@H](N[C@@H]1CCN(C)C1=O)[C@H]1CCCO1 ZINC000070583025 350543467 /nfs/dbraw/zinc/54/34/67/350543467.db2.gz FRNQYINNPBXWRJ-IVZWLZJFSA-N 0 3 212.293 0.374 20 0 BCADHN CC(C)NC(=O)CNCC1(C)COC1 ZINC000070616943 350550345 /nfs/dbraw/zinc/55/03/45/350550345.db2.gz YSTXAVDNZUAURY-UHFFFAOYSA-N 0 3 200.282 0.137 20 0 BCADHN CSCC[C@@H](N)C(=O)NCCn1ccnc1 ZINC000163600360 350553072 /nfs/dbraw/zinc/55/30/72/350553072.db2.gz APUMHWYOYGKSTD-SECBINFHSA-N 0 3 242.348 0.080 20 0 BCADHN COC(=O)[C@@H]1CCCN(CCn2cncn2)C1 ZINC000066831988 350578605 /nfs/dbraw/zinc/57/86/05/350578605.db2.gz WGPYBDHQSPQKIS-SNVBAGLBSA-N 0 3 238.291 0.163 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2nc(C)ccc2O)C1 ZINC000152863606 362968238 /nfs/dbraw/zinc/96/82/38/362968238.db2.gz IJUGRBBKZICHBR-LLVKDONJSA-N 0 3 249.314 0.806 20 0 BCADHN CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)ccc2[O-])C1 ZINC000152863606 362968244 /nfs/dbraw/zinc/96/82/44/362968244.db2.gz IJUGRBBKZICHBR-LLVKDONJSA-N 0 3 249.314 0.806 20 0 BCADHN CC(C)CN1CCc2n[nH]c(=O)cc2C1 ZINC000229595876 350580419 /nfs/dbraw/zinc/58/04/19/350580419.db2.gz NIBAVZPPYWNWRA-UHFFFAOYSA-N 0 3 207.277 0.784 20 0 BCADHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC1 ZINC000606702830 350599240 /nfs/dbraw/zinc/59/92/40/350599240.db2.gz GLTLTRVPPYKTDK-NSHDSACASA-N 0 3 223.320 0.886 20 0 BCADHN COC1CCN(C[C@@H](O)Cn2cccn2)CC1 ZINC000051155384 350609333 /nfs/dbraw/zinc/60/93/33/350609333.db2.gz LRDURYLKEXNEDA-LLVKDONJSA-N 0 3 239.319 0.355 20 0 BCADHN Cc1nnc2ccc(NC[C@@H](C)N(C)C)nn12 ZINC000298787832 180449354 /nfs/dbraw/zinc/44/93/54/180449354.db2.gz KKMPMNABXHQWMW-MRVPVSSYSA-N 0 3 234.307 0.795 20 0 BCADHN CN1CC[C@H](C(=O)Nc2nnc(C3CC3)n2C)C1 ZINC000617284149 350674055 /nfs/dbraw/zinc/67/40/55/350674055.db2.gz VYLQPVGMKIOJPY-VIFPVBQESA-N 0 3 249.318 0.583 20 0 BCADHN CCN1CCCN(Cc2ncnn2C)CC1 ZINC000365902996 350657161 /nfs/dbraw/zinc/65/71/61/350657161.db2.gz HDNKOKCCTWCPFE-UHFFFAOYSA-N 0 3 223.324 0.343 20 0 BCADHN COC(=O)[C@@H]1CNCCCN1CC(C)C ZINC000309527181 350702114 /nfs/dbraw/zinc/70/21/14/350702114.db2.gz BAQCQRAGGUVNLA-JTQLQIEISA-N 0 3 214.309 0.479 20 0 BCADHN CCN1CCC[C@H](CNS(=O)(=O)CC)C1 ZINC000338725119 350707924 /nfs/dbraw/zinc/70/79/24/350707924.db2.gz QWVDQVWXHNBYGZ-SNVBAGLBSA-N 0 3 234.365 0.658 20 0 BCADHN CNC(=O)CCNCc1ccnc(C)c1 ZINC000391155747 350712120 /nfs/dbraw/zinc/71/21/20/350712120.db2.gz AQLPKTSPCIRBEY-UHFFFAOYSA-N 0 3 207.277 0.616 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H](CO)C1CCC1)N(C)C ZINC000617305262 350713776 /nfs/dbraw/zinc/71/37/76/350713776.db2.gz KSOKIQMQULNQBJ-NEPJUHHUSA-N 0 3 242.363 0.850 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@](C)(O)C1 ZINC000177436238 366000906 /nfs/dbraw/zinc/00/09/06/366000906.db2.gz ARXNRJDMQMXXFX-NSHDSACASA-N 0 3 214.309 0.310 20 0 BCADHN CCO[C@@H]1C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC000577581045 366001040 /nfs/dbraw/zinc/00/10/40/366001040.db2.gz YRRWGPKSBSEDGD-MXWKQRLJSA-N 0 3 228.336 0.866 20 0 BCADHN CCCS(=O)(=O)NCC1(N(C)C)CCC1 ZINC000097936322 350726014 /nfs/dbraw/zinc/72/60/14/350726014.db2.gz IKNFDLCMFPSKQU-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN Cc1nocc1CNC[C@@H]1CC[C@H](CO)O1 ZINC000339406916 180507983 /nfs/dbraw/zinc/50/79/83/180507983.db2.gz HVJBGERBOODAAH-WDEREUQCSA-N 0 3 226.276 0.613 20 0 BCADHN C[C@H](O)CN1CCC(N2CCOC[C@@H]2C)CC1 ZINC000563362798 350824787 /nfs/dbraw/zinc/82/47/87/350824787.db2.gz BZHJMQWTRIRZKL-RYUDHWBXSA-N 0 3 242.363 0.552 20 0 BCADHN CC(C)(C)N1CC[C@H](NC(=O)[C@H](O)C2CC2)C1 ZINC000617343059 350772836 /nfs/dbraw/zinc/77/28/36/350772836.db2.gz KYBYZLBLPPSSMJ-WDEREUQCSA-N 0 3 240.347 0.746 20 0 BCADHN CC(C)(C)N1CC[C@H](NC(=O)C(C)(C)O)C1 ZINC000617344984 350773650 /nfs/dbraw/zinc/77/36/50/350773650.db2.gz UQEWUHZLVYFKHJ-VIFPVBQESA-N 0 3 228.336 0.746 20 0 BCADHN CC(C)(C)N1CC[C@@H](NC(=O)C2(O)CCC2)C1 ZINC000617345509 350774944 /nfs/dbraw/zinc/77/49/44/350774944.db2.gz AWJJHVIXQYPGLC-SNVBAGLBSA-N 0 3 240.347 0.890 20 0 BCADHN OC[C@@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@H]1O ZINC000628308549 350783391 /nfs/dbraw/zinc/78/33/91/350783391.db2.gz VYCCDSGEMNXQKM-GXTWGEPZSA-N 0 3 246.310 0.953 20 0 BCADHN CCOC(=O)C[C@H](O)CN[C@H](COC)C1CC1 ZINC000397370140 350822445 /nfs/dbraw/zinc/82/24/45/350822445.db2.gz GVDSSJWGSSXFBL-WDEREUQCSA-N 0 3 245.319 0.315 20 0 BCADHN CC(C)(C)N1CC[C@H](NC(=O)C2CC(=O)C2)C1 ZINC000617346442 350786752 /nfs/dbraw/zinc/78/67/52/350786752.db2.gz VHHVJHUJQKPCDI-JTQLQIEISA-N 0 3 238.331 0.955 20 0 BCADHN Cn1cncc1CCNCc1cc2n(n1)CCC2 ZINC000623085909 350843705 /nfs/dbraw/zinc/84/37/05/350843705.db2.gz MVLSORSKASZJAS-UHFFFAOYSA-N 0 3 245.330 0.895 20 0 BCADHN Cc1cnccc1CN(C)CCN(C)CCO ZINC000623090378 350857571 /nfs/dbraw/zinc/85/75/71/350857571.db2.gz LDKYCWQSQKQSOL-UHFFFAOYSA-N 0 3 237.347 0.746 20 0 BCADHN CCN(CC(=O)N1CCCC1)C[C@@H]1CCOC1 ZINC000052072279 350906179 /nfs/dbraw/zinc/90/61/79/350906179.db2.gz WAXWOSJKZBEJBQ-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN CN(Cc1ccn(C)c(=O)c1)C[C@H]1CCCO1 ZINC000052103131 350930088 /nfs/dbraw/zinc/93/00/88/350930088.db2.gz NFKVJCUWDLUWAC-GFCCVEGCSA-N 0 3 236.315 0.996 20 0 BCADHN CCCn1cc(CNC[C@@](C)(O)COC)cn1 ZINC000382583518 350882042 /nfs/dbraw/zinc/88/20/42/350882042.db2.gz YZTJOOBJRHQVBU-GFCCVEGCSA-N 0 3 241.335 0.780 20 0 BCADHN COCCCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000052528395 351010310 /nfs/dbraw/zinc/01/03/10/351010310.db2.gz PGPRQWGVILUGMQ-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN CN1CCC[C@@H](NC(=O)N[C@H]2CCOC2)C1 ZINC000252700076 538099802 /nfs/dbraw/zinc/09/98/02/538099802.db2.gz XUJAUOLDRHSZOW-ZJUUUORDSA-N 0 3 227.308 0.169 20 0 BCADHN CNC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000642249729 362990208 /nfs/dbraw/zinc/99/02/08/362990208.db2.gz WPXMZURWVYJXAP-LLVKDONJSA-N 0 3 241.335 0.513 20 0 BCADHN CCCC(=O)N1CCCN(CCCO)CC1 ZINC000052442519 350947887 /nfs/dbraw/zinc/94/78/87/350947887.db2.gz XXPDUWZWHSFRNW-UHFFFAOYSA-N 0 3 228.336 0.703 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000257362126 351045351 /nfs/dbraw/zinc/04/53/51/351045351.db2.gz CQTXNMIJQRHUNU-INTQDDNPSA-N 0 3 224.304 0.361 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000257362124 351045408 /nfs/dbraw/zinc/04/54/08/351045408.db2.gz CQTXNMIJQRHUNU-DVVUODLYSA-N 0 3 224.304 0.361 20 0 BCADHN Cc1ncc(CN[C@H]2CCc3nnnn3CC2)o1 ZINC000628316784 351055265 /nfs/dbraw/zinc/05/52/65/351055265.db2.gz JIUIHUZNOZSMPA-VIFPVBQESA-N 0 3 248.290 0.464 20 0 BCADHN Cc1nocc1CN[C@H]1CCCNC(=O)C1 ZINC000398059103 362993517 /nfs/dbraw/zinc/99/35/17/362993517.db2.gz JRRGDJOZNRQWNT-JTQLQIEISA-N 0 3 223.276 0.741 20 0 BCADHN COC(=O)[C@@H](NC[C@H]1CCCN1C)C(C)C ZINC000386462971 362994190 /nfs/dbraw/zinc/99/41/90/362994190.db2.gz SQPQQXSHRARAIY-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN CCOCCN(CCOC)CCOC ZINC000070928298 351123801 /nfs/dbraw/zinc/12/38/01/351123801.db2.gz YDQHMCSBQHIQQG-UHFFFAOYSA-N 0 3 205.298 0.618 20 0 BCADHN CCCN(CC(=O)NC(N)=O)CC1CC1 ZINC000052890797 351075318 /nfs/dbraw/zinc/07/53/18/351075318.db2.gz OLDGUCQWONBVRB-UHFFFAOYSA-N 0 3 213.281 0.303 20 0 BCADHN CN(C(=O)c1cn[nH]c1)C1CCN(C)CC1 ZINC000036165525 358460448 /nfs/dbraw/zinc/46/04/48/358460448.db2.gz JBEKTBMHLZYDGH-UHFFFAOYSA-N 0 3 222.292 0.576 20 0 BCADHN CCN1CCC(NC(=O)c2cnc[nH]2)CC1 ZINC000263723616 351180682 /nfs/dbraw/zinc/18/06/82/351180682.db2.gz XIUWDSVFSJZVBG-UHFFFAOYSA-N 0 3 222.292 0.624 20 0 BCADHN COCCN(CCO)CCOC[C@H]1CCCO1 ZINC000607358902 351333362 /nfs/dbraw/zinc/33/33/62/351333362.db2.gz WIHFSZMZQRVYPV-GFCCVEGCSA-N 0 3 247.335 0.123 20 0 BCADHN CC[C@@H]1CCC[C@H]1NCc1nnnn1C ZINC000379930431 351291932 /nfs/dbraw/zinc/29/19/32/351291932.db2.gz OENDJMWSAHOBMI-RKDXNWHRSA-N 0 3 209.297 0.878 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)C1(CO)CC1)N(C)C ZINC000617901325 351304350 /nfs/dbraw/zinc/30/43/50/351304350.db2.gz DZJURTVGRZDIFO-VHSXEESVSA-N 0 3 228.336 0.604 20 0 BCADHN CN1CC[C@@H](NCC2(O)CCCC2)C1=O ZINC000083466168 351385209 /nfs/dbraw/zinc/38/52/09/351385209.db2.gz FJTGCAKWWGGVGS-SECBINFHSA-N 0 3 212.293 0.112 20 0 BCADHN CC(C)[C@H](O)CN1CCO[C@H](CN(C)C)C1 ZINC000336666870 191134280 /nfs/dbraw/zinc/13/42/80/191134280.db2.gz MMFPBEACNXKJQZ-VXGBXAGGSA-N 0 3 230.352 0.266 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N[C@@H](C)COC ZINC000034938807 351354334 /nfs/dbraw/zinc/35/43/34/351354334.db2.gz PIHGKXWGIMGWIT-VHSXEESVSA-N 0 3 216.325 0.868 20 0 BCADHN C=Cn1cc(CNC[C@@H]2COCCN2C)cn1 ZINC000623712333 363034834 /nfs/dbraw/zinc/03/48/34/363034834.db2.gz BIRQTYWSBMYEGH-GFCCVEGCSA-N 0 3 236.319 0.404 20 0 BCADHN CC[C@H](COC)NC[C@@H]1CCCS1(=O)=O ZINC000087970497 351440157 /nfs/dbraw/zinc/44/01/57/351440157.db2.gz QVJITNKLNGZAKX-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N(C)CCN(C)C)[C@H](C)O1 ZINC000637654344 351459134 /nfs/dbraw/zinc/45/91/34/351459134.db2.gz KTGGAJPVQKRLON-VWYCJHECSA-N 0 3 243.351 0.755 20 0 BCADHN CCn1cncc1CNC[C@@H]1COCCN1C ZINC000623712724 363049129 /nfs/dbraw/zinc/04/91/29/363049129.db2.gz JXAJGRDGBRMHOD-GFCCVEGCSA-N 0 3 238.335 0.323 20 0 BCADHN CC[C@@H](COC)N[C@H]1CC(=O)N(CC)C1 ZINC000391526210 351530948 /nfs/dbraw/zinc/53/09/48/351530948.db2.gz VHZOIRZPGLJCGP-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN COCC(=O)NCCN(C)Cc1ccccc1 ZINC000053349232 363073053 /nfs/dbraw/zinc/07/30/53/363073053.db2.gz PETCGRHVXHBOOI-UHFFFAOYSA-N 0 3 236.315 0.881 20 0 BCADHN CNCC(=O)NCCC1(COC)CC1 ZINC000577635895 366028141 /nfs/dbraw/zinc/02/81/41/366028141.db2.gz BQWWEUDSEOXQNV-UHFFFAOYSA-N 0 3 200.282 0.139 20 0 BCADHN O=C1NCC[C@@H]1CCN1CCCO[C@H](CF)C1 ZINC000571652941 351588106 /nfs/dbraw/zinc/58/81/06/351588106.db2.gz DDONHODKJNJQED-GHMZBOCLSA-N 0 3 244.310 0.573 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)C1(CO)CC1 ZINC000617904420 351597548 /nfs/dbraw/zinc/59/75/48/351597548.db2.gz IZONREPBUKTLME-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CCN[C@H](C)C(=O)NCc1ccccn1 ZINC000637800197 351635422 /nfs/dbraw/zinc/63/54/22/351635422.db2.gz ABLNOPTVSJVJNN-SECBINFHSA-N 0 3 207.277 0.696 20 0 BCADHN CC(C)n1ncnc1CN1CCCN(C)CC1 ZINC000637809815 351646759 /nfs/dbraw/zinc/64/67/59/351646759.db2.gz BCNGVDKCKPDMAE-UHFFFAOYSA-N 0 3 237.351 0.997 20 0 BCADHN CCC[C@@H](CN1CCN(CCO)CC1)OC ZINC000637812032 351647204 /nfs/dbraw/zinc/64/72/04/351647204.db2.gz VHTHFSUKKPNGIC-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN O=C(N[C@H]1CC[NH2+]C1)c1cc(F)c[n-]c1=O ZINC000637811089 351652232 /nfs/dbraw/zinc/65/22/32/351652232.db2.gz IYZZLLHNHKLWHA-ZETCQYMHSA-N 0 3 225.223 0.018 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2cncn2C)C1 ZINC000577682380 366034918 /nfs/dbraw/zinc/03/49/18/366034918.db2.gz GPWATQUJIIEPDX-SNVBAGLBSA-N 0 3 236.319 0.492 20 0 BCADHN CO[C@]1(CN2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC000637816159 351656199 /nfs/dbraw/zinc/65/61/99/351656199.db2.gz YBMRPRSIIXLFMR-TUAOUCFPSA-N 0 3 229.320 0.901 20 0 BCADHN C[C@@H]1CNCCN1C(=O)CN(C)CC(C)(C)C ZINC000637817096 351659103 /nfs/dbraw/zinc/65/91/03/351659103.db2.gz POLABZDAGPITNX-LLVKDONJSA-N 0 3 241.379 0.785 20 0 BCADHN C/C=C(\C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000393244801 351620231 /nfs/dbraw/zinc/62/02/31/351620231.db2.gz QLMQXYIRAOJDHY-LFTMGRLWSA-N 0 3 200.257 0.769 20 0 BCADHN Cn1ccnc1[C@H](C1CC1)N1CC[C@@H](C(N)=O)C1 ZINC000637829884 351678792 /nfs/dbraw/zinc/67/87/92/351678792.db2.gz QYNZTDVEEHDZQG-MNOVXSKESA-N 0 3 248.330 0.678 20 0 BCADHN 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ZINC000252727125 538101136 /nfs/dbraw/zinc/10/11/36/538101136.db2.gz AMMUEXRDXCWROH-QWRGUYRKSA-N 0 3 200.326 0.641 20 0 BCADHN CC(C)([NH3+])CNC(=O)c1cc(F)c[n-]c1=O ZINC000637856882 351716975 /nfs/dbraw/zinc/71/69/75/351716975.db2.gz DIJOYAWEDOGJKD-UHFFFAOYSA-N 0 3 227.239 0.393 20 0 BCADHN C[C@H](C(=O)N1CCNCC1(C)C)N(C)C ZINC000637857481 351718132 /nfs/dbraw/zinc/71/81/32/351718132.db2.gz QHCGJEIHCWIVDV-SECBINFHSA-N 0 3 213.325 0.147 20 0 BCADHN CCN[C@H](C)C(=O)Nc1nncs1 ZINC000637868970 351729207 /nfs/dbraw/zinc/72/92/07/351729207.db2.gz RRBHDENMERLNRD-RXMQYKEDSA-N 0 3 200.267 0.475 20 0 BCADHN CN(Cc1ccccc1)C[C@@H](N)C(=O)NC1CC1 ZINC000637872749 351739019 /nfs/dbraw/zinc/73/90/19/351739019.db2.gz UROLHBRGXUTSDN-CYBMUJFWSA-N 0 3 247.342 0.724 20 0 BCADHN CCCN(CC1CC1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000637873904 351740847 /nfs/dbraw/zinc/74/08/47/351740847.db2.gz BYAGOHUJESFRFQ-WDEREUQCSA-N 0 3 226.320 0.751 20 0 BCADHN CCN[C@H](C)C(=O)Nc1c(C)n[nH]c1C ZINC000637878494 351745224 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OZZJAQZPCJIIBG-WDEREUQCSA-N 0 3 244.335 0.282 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@H]1CCCCO1 ZINC000637943701 351820914 /nfs/dbraw/zinc/82/09/14/351820914.db2.gz QBFLRXODAWERAU-ZJUUUORDSA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@@H](C)[C@@H](C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000637945740 351822526 /nfs/dbraw/zinc/82/25/26/351822526.db2.gz UVJDMSSMDSFQLF-DOLQZWNJSA-N 0 3 214.309 0.653 20 0 BCADHN CC(C)CC[C@H](O)CNCC(=O)N(C)C ZINC000577841621 366079693 /nfs/dbraw/zinc/07/96/93/366079693.db2.gz ZESMZJMKWHRBAH-JTQLQIEISA-N 0 3 216.325 0.461 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CCC[C@H]1CCO1 ZINC000637953207 351829663 /nfs/dbraw/zinc/82/96/63/351829663.db2.gz NHQIHPHROPLJKW-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C)CC ZINC000637957502 351833172 /nfs/dbraw/zinc/83/31/72/351833172.db2.gz HJPMWJNMMCCXQR-IVZWLZJFSA-N 0 3 243.351 0.404 20 0 BCADHN CN(Cc1cnc(N)nc1N)CC(C)(C)C ZINC000637961056 351835116 /nfs/dbraw/zinc/83/51/16/351835116.db2.gz UZWFSLLVCCMTBJ-UHFFFAOYSA-N 0 3 223.324 0.780 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NCc1cc[nH]n1 ZINC000637933434 351810424 /nfs/dbraw/zinc/81/04/24/351810424.db2.gz MOEHRWURERYUHO-JTQLQIEISA-N 0 3 224.308 0.789 20 0 BCADHN Cc1nn(C)c(C)c1CN1CC[C@@](C)(O)C1 ZINC000178015207 366076719 /nfs/dbraw/zinc/07/67/19/366076719.db2.gz OPHJRSXRUOSAJQ-GFCCVEGCSA-N 0 3 223.320 0.994 20 0 BCADHN CCCCOCCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000637941557 351815836 /nfs/dbraw/zinc/81/58/36/351815836.db2.gz MPXAKDYWQGIDNR-VHSXEESVSA-N 0 3 230.308 0.036 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)c1cn(C)nc1C ZINC000637939393 351816665 /nfs/dbraw/zinc/81/66/65/351816665.db2.gz ITOSUEWPTXSTKG-WPRPVWTQSA-N 0 3 238.335 0.904 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N[C@H](C(N)=O)C(C)C ZINC000637985707 351861412 /nfs/dbraw/zinc/86/14/12/351861412.db2.gz GIELTOBRUWRASV-UWVGGRQHSA-N 0 3 243.351 0.376 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N[C@@H](C(N)=O)C(C)C ZINC000637985709 351861428 /nfs/dbraw/zinc/86/14/28/351861428.db2.gz GIELTOBRUWRASV-VHSXEESVSA-N 0 3 243.351 0.376 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1cnc(C)nc1 ZINC000637979575 351857347 /nfs/dbraw/zinc/85/73/47/351857347.db2.gz NMQRWWWHTKRLTR-ZETCQYMHSA-N 0 3 208.265 0.722 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)C[C@H]1CCCOC1 ZINC000637983172 351860179 /nfs/dbraw/zinc/86/01/79/351860179.db2.gz LMBBHYOHLHSNPI-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)CCOC ZINC000637968137 351842727 /nfs/dbraw/zinc/84/27/27/351842727.db2.gz CXCLZWIWSOAJAB-RKDXNWHRSA-N 0 3 202.298 0.526 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](C)c1cnn(C)c1 ZINC000637985336 351861068 /nfs/dbraw/zinc/86/10/68/351861068.db2.gz DNZSWJCWAUEBST-BDAKNGLRSA-N 0 3 224.308 0.595 20 0 BCADHN CCN[C@@H](C)C(=O)N(CCOC)CC(F)F ZINC000637973804 351849469 /nfs/dbraw/zinc/84/94/69/351849469.db2.gz MAEWLAYBHZOARA-QMMMGPOBSA-N 0 3 238.278 0.725 20 0 BCADHN CNC(=O)[C@@H](C)NC(=O)[C@@H](N)CCC(C)C ZINC000638005023 351879773 /nfs/dbraw/zinc/87/97/73/351879773.db2.gz KBLSAAVDUMYOCD-BDAKNGLRSA-N 0 3 229.324 0.001 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@H](CC)CCO ZINC000638005528 351880937 /nfs/dbraw/zinc/88/09/37/351880937.db2.gz SEYJRAFTUGIDJF-VHSXEESVSA-N 0 3 216.325 0.509 20 0 BCADHN CC1(C)CCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000637990813 351864670 /nfs/dbraw/zinc/86/46/70/351864670.db2.gz GKKJXSKNNHIYPH-DTWKUNHWSA-N 0 3 212.293 0.361 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@H](C)NCC ZINC000637994070 351868473 /nfs/dbraw/zinc/86/84/73/351868473.db2.gz UUOGIOVDBUCNDF-DTWKUNHWSA-N 0 3 202.298 0.262 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@@H](C)NCC ZINC000637994072 351868728 /nfs/dbraw/zinc/86/87/28/351868728.db2.gz UUOGIOVDBUCNDF-RKDXNWHRSA-N 0 3 202.298 0.262 20 0 BCADHN CCN[C@H](C)C(=O)N1CC[C@H](COC)C1 ZINC000637992615 351869322 /nfs/dbraw/zinc/86/93/22/351869322.db2.gz SSNVCGRXTPDEIT-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN CCC(CC)[C@H](O)CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000637992716 351869422 /nfs/dbraw/zinc/86/94/22/351869422.db2.gz LDCXQTLCYFZKGJ-HBNTYKKESA-N 0 3 244.335 0.016 20 0 BCADHN CC(C)C[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000637992925 351870683 /nfs/dbraw/zinc/87/06/83/351870683.db2.gz VUHNJKIOXXJBMX-GRYCIOLGSA-N 0 3 240.347 0.997 20 0 BCADHN Cc1nc(CNC(=O)[C@H](N)CCC(C)C)no1 ZINC000638004401 351878728 /nfs/dbraw/zinc/87/87/28/351878728.db2.gz YWJPRTYQTBOCPO-SECBINFHSA-N 0 3 240.307 0.758 20 0 BCADHN CCN[C@@H](C)C(=O)N1CC[C@H](COCC)C1 ZINC000638037625 351917305 /nfs/dbraw/zinc/91/73/05/351917305.db2.gz QSWFEKVDWCVDPL-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H](C)CN(CC)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638038127 351918617 /nfs/dbraw/zinc/91/86/17/351918617.db2.gz MRXWGGQQUIUSKZ-GARJFASQSA-N 0 3 228.336 0.997 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1C[C@H](OC)C1(C)C ZINC000638039218 351920127 /nfs/dbraw/zinc/92/01/27/351920127.db2.gz SGAHVAAAUYTTJF-UTLUCORTSA-N 0 3 228.336 0.914 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1N)c1ccccn1 ZINC000638049966 351927199 /nfs/dbraw/zinc/92/71/99/351927199.db2.gz JJOGOLFUBPNIDA-WCABBAIRSA-N 0 3 235.287 0.375 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1cn2ccccc2n1 ZINC000638051476 351928643 /nfs/dbraw/zinc/92/86/43/351928643.db2.gz IWVCSQOBARKREQ-JTQLQIEISA-N 0 3 246.314 0.949 20 0 BCADHN CCN1CCN(C[C@@]2(OC)CCOC2)C[C@H]1C ZINC000638053495 351931463 /nfs/dbraw/zinc/93/14/63/351931463.db2.gz CDLBSEJGMZBVTN-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN CCN[C@H](C)C(=O)NCCc1cscn1 ZINC000638059861 351933747 /nfs/dbraw/zinc/93/37/47/351933747.db2.gz OKNOBOUETXJHRD-MRVPVSSYSA-N 0 3 227.333 0.800 20 0 BCADHN Cc1ncccc1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638061823 351934159 /nfs/dbraw/zinc/93/41/59/351934159.db2.gz ICAKYOZPQHNDRD-WCBMZHEXSA-N 0 3 221.260 0.445 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000638072092 351943924 /nfs/dbraw/zinc/94/39/24/351943924.db2.gz CDWDOQHKSMRNFV-VHSXEESVSA-N 0 3 224.308 0.386 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2OCC[C@@H]2N)CCCO1 ZINC000638007926 351884267 /nfs/dbraw/zinc/88/42/67/351884267.db2.gz DDSBNUXLXYMQKV-VHSXEESVSA-N 0 3 242.319 0.130 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N(C)CC[C@H](C)O ZINC000638007750 351884578 /nfs/dbraw/zinc/88/45/78/351884578.db2.gz OTIQSXPYQZBXLH-QWRGUYRKSA-N 0 3 230.352 0.979 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000638009781 351888699 /nfs/dbraw/zinc/88/86/99/351888699.db2.gz NWUVKQKASKUSOT-LMLFDSFASA-N 0 3 240.347 0.914 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000638015236 351892184 /nfs/dbraw/zinc/89/21/84/351892184.db2.gz IRRGOGWVCIEALS-LPEHRKFASA-N 0 3 216.325 0.508 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000638015598 351892460 /nfs/dbraw/zinc/89/24/60/351892460.db2.gz QBRHJFYVUXXJEI-UTLUCORTSA-N 0 3 241.335 0.145 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1N)C1CCOCC1 ZINC000638015380 351892570 /nfs/dbraw/zinc/89/25/70/351892570.db2.gz NRRDQMQPONIQEK-DVVUODLYSA-N 0 3 242.319 0.034 20 0 BCADHN CCN[C@@H](C)C(=O)NCCC[C@H](O)CC ZINC000638017984 351892918 /nfs/dbraw/zinc/89/29/18/351892918.db2.gz KXTXPNUXGTWHMQ-VHSXEESVSA-N 0 3 216.325 0.652 20 0 BCADHN CCN[C@H](C)C(=O)NC1(COC)CC1 ZINC000638016501 351894746 /nfs/dbraw/zinc/89/47/46/351894746.db2.gz YNZBXBAGHIYUPI-MRVPVSSYSA-N 0 3 200.282 0.280 20 0 BCADHN CC(C)C1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638023625 351902855 /nfs/dbraw/zinc/90/28/55/351902855.db2.gz OVIFIUGKHCYDKS-NWDGAFQWSA-N 0 3 240.347 0.997 20 0 BCADHN CCC[C@@H](CN1CCN(C[C@H](C)O)CC1)OC ZINC000638027281 351906015 /nfs/dbraw/zinc/90/60/15/351906015.db2.gz SEEASXBOGRFWOE-STQMWFEESA-N 0 3 244.379 0.800 20 0 BCADHN CO[C@@]1(CN(C)[C@@H]2CCOC2)CCOC1 ZINC000638029606 351909878 /nfs/dbraw/zinc/90/98/78/351909878.db2.gz YNEPLDSQZKDHFZ-GHMZBOCLSA-N 0 3 215.293 0.513 20 0 BCADHN CO[C@]1(CN(C)[C@@H]2CCOC2)CCOC1 ZINC000638029607 351910291 /nfs/dbraw/zinc/91/02/91/351910291.db2.gz YNEPLDSQZKDHFZ-MNOVXSKESA-N 0 3 215.293 0.513 20 0 BCADHN CC[C@@H](C)[C@@H](CN1CCNC(=O)CC1)OC ZINC000638028548 351910703 /nfs/dbraw/zinc/91/07/03/351910703.db2.gz GRPJYOPXSDFQGX-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H]1CCN(C(=O)CC)C1 ZINC000638029982 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ABCDFUMKBVPQEQ-SECBINFHSA-N 0 3 249.305 0.299 20 0 BCADHN COC[C@@]1(C(=O)N[C@H]2CC23CC3)CCCCN1 ZINC000638368864 352181148 /nfs/dbraw/zinc/18/11/48/352181148.db2.gz YTIOTJUOBZSDDG-GXFFZTMASA-N 0 3 238.331 0.814 20 0 BCADHN C[C@@H]1CC(NC(=O)[C@@H]2OCC[C@@H]2N)C[C@@H](C)O1 ZINC000638375584 352185748 /nfs/dbraw/zinc/18/57/48/352185748.db2.gz CORXARAGNKOVFH-DEKFOEGESA-N 0 3 242.319 0.175 20 0 BCADHN CCN[C@H](C)C(=O)N(C)CC1CCOCC1 ZINC000638375762 352186045 /nfs/dbraw/zinc/18/60/45/352186045.db2.gz DZDVNCUFOSVIRZ-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CC(=O)NCCN(C)C(=O)[C@@H](N)CCC(C)C ZINC000638373678 352186608 /nfs/dbraw/zinc/18/66/08/352186608.db2.gz HOIBPEVSNVNNGI-NSHDSACASA-N 0 3 243.351 0.344 20 0 BCADHN C[C@H]1CC2(CCC2)CN1C(=O)[C@@H]1OCC[C@@H]1N ZINC000638379036 352191828 /nfs/dbraw/zinc/19/18/28/352191828.db2.gz WBIBVFJJEFGVLS-GARJFASQSA-N 0 3 238.331 0.894 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000638386308 352194621 /nfs/dbraw/zinc/19/46/21/352194621.db2.gz 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239.363 0.683 20 0 BCADHN CCN1C[C@@H](C)N(CCC(=O)OC)[C@@H](C)C1 ZINC000411716608 191205874 /nfs/dbraw/zinc/20/58/74/191205874.db2.gz FMGXFFFVBXOULP-PHIMTYICSA-N 0 3 228.336 0.964 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cccnc1C ZINC000638600346 352432810 /nfs/dbraw/zinc/43/28/10/352432810.db2.gz WGWJBEDLTQVISQ-VIFPVBQESA-N 0 3 207.277 0.614 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)C1(N)CCC1 ZINC000638630746 352472757 /nfs/dbraw/zinc/47/27/57/352472757.db2.gz SWRMMKPZFVKSDJ-QEYWKRMJSA-N 0 3 226.320 0.796 20 0 BCADHN COCCNCC(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000638632506 352473951 /nfs/dbraw/zinc/47/39/51/352473951.db2.gz ZPXDJKPZKYPUCQ-WYFGTUCQSA-N 0 3 244.335 0.151 20 0 BCADHN CC[C@@H]1OCC[C@H]1NCC(=O)NCCCOC ZINC000411814463 191213280 /nfs/dbraw/zinc/21/32/80/191213280.db2.gz DEVNPRPBVMHATH-MNOVXSKESA-N 0 3 244.335 0.296 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(CC)C[C@H](C)OC ZINC000383143457 352482529 /nfs/dbraw/zinc/48/25/29/352482529.db2.gz XRDZUHZOYKQNDO-WDEREUQCSA-N 0 3 247.335 0.657 20 0 BCADHN CCOC(=O)C[C@H](O)CN(CC)C[C@H](C)OC ZINC000383143455 352482590 /nfs/dbraw/zinc/48/25/90/352482590.db2.gz XRDZUHZOYKQNDO-QWRGUYRKSA-N 0 3 247.335 0.657 20 0 BCADHN COC[C@@H](CCO)NCc1cccc(F)c1N ZINC000638645963 352489711 /nfs/dbraw/zinc/48/97/11/352489711.db2.gz BHXMGRSENLGQRI-SNVBAGLBSA-N 0 3 242.294 0.895 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1cncnc1C ZINC000298675372 352510339 /nfs/dbraw/zinc/51/03/39/352510339.db2.gz VIAWBKKOYLLHTH-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@H](N)C(C)C ZINC000336743465 352511040 /nfs/dbraw/zinc/51/10/40/352511040.db2.gz PFDQYFGJEZTMDE-NXEZZACHSA-N 0 3 216.325 0.637 20 0 BCADHN Cc1nccn1CCNC(=O)[C@H](C)NC1CC1 ZINC000383169315 352519010 /nfs/dbraw/zinc/51/90/10/352519010.db2.gz PIWWMWHDZRQNKJ-VIFPVBQESA-N 0 3 236.319 0.448 20 0 BCADHN O=C([C@H]1CCCCN1)N1CCO[C@H](CCF)C1 ZINC000638683165 352519762 /nfs/dbraw/zinc/51/97/62/352519762.db2.gz CWJLDHUZYHHNRE-GHMZBOCLSA-N 0 3 244.310 0.716 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCO[C@@H](CCF)C1 ZINC000638683507 352521221 /nfs/dbraw/zinc/52/12/21/352521221.db2.gz JDHMJMKVTYTPOS-UWVGGRQHSA-N 0 3 244.310 0.571 20 0 BCADHN NC1(C(=O)N2CCO[C@H](CCF)C2)CC1 ZINC000638684093 352521752 /nfs/dbraw/zinc/52/17/52/352521752.db2.gz PKEOFKHIPRRIBL-MRVPVSSYSA-N 0 3 216.256 0.065 20 0 BCADHN O=C(CNC1CC1)N1CCO[C@@H](CCF)C1 ZINC000638684002 352522032 /nfs/dbraw/zinc/52/20/32/352522032.db2.gz ONTTZCSPJLXXNX-JTQLQIEISA-N 0 3 230.283 0.325 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCO[C@H](CCF)C1 ZINC000638684915 352522764 /nfs/dbraw/zinc/52/27/64/352522764.db2.gz VSQDGTJHFSKPKZ-VHSXEESVSA-N 0 3 232.299 0.571 20 0 BCADHN NC1(C(=O)N2CCO[C@@H](CCF)C2)CCC1 ZINC000638684935 352523028 /nfs/dbraw/zinc/52/30/28/352523028.db2.gz WADHYNNSRIOVPN-VIFPVBQESA-N 0 3 230.283 0.455 20 0 BCADHN C/C=C/CNC(=O)[C@]1(COC)CCCCN1 ZINC000638687360 352523865 /nfs/dbraw/zinc/52/38/65/352523865.db2.gz SCLDLUGVLHRYFQ-AAOUONPWSA-N 0 3 226.320 0.837 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000638695006 352529786 /nfs/dbraw/zinc/52/97/86/352529786.db2.gz KEKAUXLAVUBQAJ-LPEHRKFASA-N 0 3 212.293 0.407 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000638693948 352530368 /nfs/dbraw/zinc/53/03/68/352530368.db2.gz AWULNJAFHKDJNH-FBIMIBRVSA-N 0 3 226.320 0.668 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000638693949 352530484 /nfs/dbraw/zinc/53/04/84/352530484.db2.gz AWULNJAFHKDJNH-IEBDPFPHSA-N 0 3 226.320 0.668 20 0 BCADHN CCN(C)C(=O)[C@@H](NCCC(=O)OC)C(C)C ZINC000411800748 191213596 /nfs/dbraw/zinc/21/35/96/191213596.db2.gz UEUQPHYIYQUSQI-NSHDSACASA-N 0 3 244.335 0.642 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCn1ccnc1 ZINC000041051032 352601221 /nfs/dbraw/zinc/60/12/21/352601221.db2.gz GSJVCWRYWKUQSV-NXEZZACHSA-N 0 3 224.308 0.373 20 0 BCADHN COC(=O)CCCNC(=O)[C@@H](N)C(C)(C)C ZINC000040832193 352605472 /nfs/dbraw/zinc/60/54/72/352605472.db2.gz BAHMYNOREPETPF-SECBINFHSA-N 0 3 230.308 0.429 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)NCC(F)(F)F ZINC000042206606 352615359 /nfs/dbraw/zinc/61/53/59/352615359.db2.gz YPRHBOZULAEFNS-ZETCQYMHSA-N 0 3 240.225 0.434 20 0 BCADHN CC1(C)CCC[C@H]1NCc1cnc(N)nc1N ZINC000638720026 352566176 /nfs/dbraw/zinc/56/61/76/352566176.db2.gz CZCLKNDZDVQPCM-SECBINFHSA-N 0 3 235.335 0.970 20 0 BCADHN NC1(C(=O)NCC2(C(F)F)CC2)CC1 ZINC000638719571 352566227 /nfs/dbraw/zinc/56/62/27/352566227.db2.gz DEIQGGJLBOINOL-UHFFFAOYSA-N 0 3 204.220 0.639 20 0 BCADHN CCN[C@H](C)C(=O)NC1(C(F)F)CC1 ZINC000638726581 352584668 /nfs/dbraw/zinc/58/46/68/352584668.db2.gz UCDJHMOOLSQUPX-ZCFIWIBFSA-N 0 3 206.236 0.898 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCc1ccc[nH]c1=O ZINC000638726464 352584683 /nfs/dbraw/zinc/58/46/83/352584683.db2.gz SNESFMBMQRLZGM-SECBINFHSA-N 0 3 237.303 0.777 20 0 BCADHN COC(=O)[C@H]1CN(C)CCN(CCCCF)C1 ZINC000411921315 191227037 /nfs/dbraw/zinc/22/70/37/191227037.db2.gz RZQTYNCUXCRJQT-NSHDSACASA-N 0 3 246.326 0.773 20 0 BCADHN COC(=O)[C@H]1CN(C)CCN(CC[C@@H](C)F)C1 ZINC000411915997 191227508 /nfs/dbraw/zinc/22/75/08/191227508.db2.gz MGTAWYXNFMFEDV-MNOVXSKESA-N 0 3 246.326 0.771 20 0 BCADHN COC(=O)[C@@H]1CN(C)CCN(CC[C@H](C)F)C1 ZINC000411916001 191228127 /nfs/dbraw/zinc/22/81/27/191228127.db2.gz MGTAWYXNFMFEDV-WDEREUQCSA-N 0 3 246.326 0.771 20 0 BCADHN COC(=O)[C@@H]1CN(C)CCN(C[C@@H](C)OC)C1 ZINC000411912718 191228521 /nfs/dbraw/zinc/22/85/21/191228521.db2.gz IJIVAHMFWWACKX-GHMZBOCLSA-N 0 3 244.335 0.058 20 0 BCADHN COC[C@H](C)N1CCN(C)C[C@H](C(=O)OC)C1 ZINC000411908187 191229122 /nfs/dbraw/zinc/22/91/22/191229122.db2.gz PXHUGDQRPLCEPW-QWRGUYRKSA-N 0 3 244.335 0.058 20 0 BCADHN COC(=O)[C@H]1CN(C)CCN(CCSC)C1 ZINC000411904359 191229388 /nfs/dbraw/zinc/22/93/88/191229388.db2.gz LWJJZQJKDRNIMS-JTQLQIEISA-N 0 3 246.376 0.386 20 0 BCADHN COC(=O)[C@@H]1CN(C)CCN(CCSC)C1 ZINC000411904368 191229664 /nfs/dbraw/zinc/22/96/64/191229664.db2.gz LWJJZQJKDRNIMS-SNVBAGLBSA-N 0 3 246.376 0.386 20 0 BCADHN CC(C)COCCNC1(C(=O)N(C)C)CC1 ZINC000411907478 191229753 /nfs/dbraw/zinc/22/97/53/191229753.db2.gz BXDHBWNNBJLGSF-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN CN(C)C(=O)C1(NC[C@@H](O)C(C)(C)C)CC1 ZINC000411906799 191229876 /nfs/dbraw/zinc/22/98/76/191229876.db2.gz AKVGOQVIJQMCJC-SECBINFHSA-N 0 3 228.336 0.604 20 0 BCADHN CCC[C@H](N)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000043427598 352637292 /nfs/dbraw/zinc/63/72/92/352637292.db2.gz IUIPWIROMDCTNV-GARJFASQSA-N 0 3 226.320 0.894 20 0 BCADHN COC[C@@]1(C(=O)N[C@@H]2C[C@H]2C)CCCCN1 ZINC000638765049 352702001 /nfs/dbraw/zinc/70/20/01/352702001.db2.gz ACHGPZJQNYJTFA-CKYFFXLPSA-N 0 3 226.320 0.670 20 0 BCADHN O=C(CN1CCNCC1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000159800377 352703961 /nfs/dbraw/zinc/70/39/61/352703961.db2.gz PHUVICSNMCNVQZ-TXEJJXNPSA-N 0 3 237.347 0.150 20 0 BCADHN CCNC(=O)CN[C@@H](C)C1(OC)CCC1 ZINC000412020512 191238648 /nfs/dbraw/zinc/23/86/48/191238648.db2.gz LDKQHUJSFHGQGF-VIFPVBQESA-N 0 3 214.309 0.670 20 0 BCADHN CCCN(C)CC(=O)N(C)C1(COC)CC1 ZINC000617472185 352719672 /nfs/dbraw/zinc/71/96/72/352719672.db2.gz GTXOMKQHJWUXOS-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CNC(=O)[C@@H](N[C@H]1CCCNC(=O)C1)C(C)C ZINC000638779908 352730555 /nfs/dbraw/zinc/73/05/55/352730555.db2.gz WXFKTMSCFPXWNX-ONGXEEELSA-N 0 3 241.335 0.015 20 0 BCADHN CNC(=O)[C@@H](N[C@@H]1CCCNC(=O)C1)C(C)C ZINC000638779906 352730641 /nfs/dbraw/zinc/73/06/41/352730641.db2.gz WXFKTMSCFPXWNX-KOLCDFICSA-N 0 3 241.335 0.015 20 0 BCADHN Cn1cncc1CN[C@@H]1C[C@H](O)C1(C)C ZINC000168166607 180789322 /nfs/dbraw/zinc/78/93/22/180789322.db2.gz CQUCUGAOVMUWEZ-ZJUUUORDSA-N 0 3 209.293 0.669 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCCc1ccccn1 ZINC000383340803 352745979 /nfs/dbraw/zinc/74/59/79/352745979.db2.gz LBWIIQLKZUKOFM-JTQLQIEISA-N 0 3 233.315 0.881 20 0 BCADHN C[C@@H]1[C@H](C)N(CCC(=O)N(C)C)CCN1C ZINC000334182733 352771625 /nfs/dbraw/zinc/77/16/25/352771625.db2.gz DSDCHQHFPUWAFF-MNOVXSKESA-N 0 3 227.352 0.489 20 0 BCADHN CC(C)NC(=O)NC(=O)[C@H](C)N1CC[C@@H](C)C1 ZINC000334215581 352815356 /nfs/dbraw/zinc/81/53/56/352815356.db2.gz QZNZRLUCLCYDRD-ZJUUUORDSA-N 0 3 241.335 0.951 20 0 BCADHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CO)C1 ZINC000334220713 352823414 /nfs/dbraw/zinc/82/34/14/352823414.db2.gz VUDVKZHSCYGCPY-NWDGAFQWSA-N 0 3 234.299 0.193 20 0 BCADHN C[C@@H]1CN(CCS(=O)(=O)N(C)C)C(C)(C)C1 ZINC000334192202 352783480 /nfs/dbraw/zinc/78/34/80/352783480.db2.gz JGFWJICBZGRWBZ-JTQLQIEISA-N 0 3 248.392 0.998 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@@H](O)CC1 ZINC000334200907 352793875 /nfs/dbraw/zinc/79/38/75/352793875.db2.gz NRBGYKSUIGPEKB-LLVKDONJSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCOC[C@H]1C ZINC000334206419 352802100 /nfs/dbraw/zinc/80/21/00/352802100.db2.gz ZKUSYZGTPINXLP-VHSXEESVSA-N 0 3 229.324 0.367 20 0 BCADHN O=C1CC[C@@H]2CN(C[C@H]3CCCOC3)CCN12 ZINC000334209570 352806215 /nfs/dbraw/zinc/80/62/15/352806215.db2.gz NAUHBEHDHCBHBM-VXGBXAGGSA-N 0 3 238.331 0.720 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@@H](CO)[C@H]1C ZINC000412080441 191253440 /nfs/dbraw/zinc/25/34/40/191253440.db2.gz LQVBFHFXYOPBKD-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1CCC[C@@H](CO)C1 ZINC000304726319 187901775 /nfs/dbraw/zinc/90/17/75/187901775.db2.gz PTRGTKFCDWNOSN-NWDGAFQWSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@H](N)C(=O)N1CCCC[C@H]1CNC(C)=O ZINC000638794618 352851651 /nfs/dbraw/zinc/85/16/51/352851651.db2.gz UQBAWEUCDJPSCZ-WDEREUQCSA-N 0 3 241.335 0.241 20 0 BCADHN COC(=O)[C@H]1CSCCN(CCCCO)C1 ZINC000412087536 191255886 /nfs/dbraw/zinc/25/58/86/191255886.db2.gz WALQBHTUSKWELC-SNVBAGLBSA-N 0 3 247.360 0.597 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCN(C)CC(F)F ZINC000638794854 352864223 /nfs/dbraw/zinc/86/42/23/352864223.db2.gz HKGZTTRNTMCHIM-VIFPVBQESA-N 0 3 237.294 0.283 20 0 BCADHN Cc1[nH]ncc1CN1CC(=O)NCC1(C)C ZINC000334256050 352866482 /nfs/dbraw/zinc/86/64/82/352866482.db2.gz ZHZWYRPLQQWTGT-UHFFFAOYSA-N 0 3 222.292 0.429 20 0 BCADHN CC[C@H](N)C(=O)NCCN(C)CC(F)F ZINC000638795995 352870274 /nfs/dbraw/zinc/87/02/74/352870274.db2.gz SFPGCLOOMBRREB-ZETCQYMHSA-N 0 3 223.267 0.037 20 0 BCADHN C[C@H]1CCN(CC(=O)NC2CCOCC2)C1 ZINC000334270630 352907085 /nfs/dbraw/zinc/90/70/85/352907085.db2.gz FXZSXVKXPHOIBJ-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN CN(C)C(=O)CCN1CC[C@@](C)(F)C1 ZINC000334275439 352912036 /nfs/dbraw/zinc/91/20/36/352912036.db2.gz BWAAYZPJRQVYCH-SNVBAGLBSA-N 0 3 202.273 0.899 20 0 BCADHN C[C@@H](O)CNCc1cccn(C(F)F)c1=O ZINC000638797403 352914945 /nfs/dbraw/zinc/91/49/45/352914945.db2.gz QVEZRONJVXJVIS-SSDOTTSWSA-N 0 3 232.230 0.714 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCc1ccncc1 ZINC000342904404 352915857 /nfs/dbraw/zinc/91/58/57/352915857.db2.gz DWCJPSSSXLMZLA-SNVBAGLBSA-N 0 3 236.319 0.831 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)NC[C@H]2CCOC2)C1 ZINC000342918853 352918268 /nfs/dbraw/zinc/91/82/68/352918268.db2.gz FJEDOGABCBNAFV-GHMZBOCLSA-N 0 3 241.335 0.368 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)NC[C@@H]2CCOC2)C1 ZINC000342918855 352918322 /nfs/dbraw/zinc/91/83/22/352918322.db2.gz FJEDOGABCBNAFV-QWRGUYRKSA-N 0 3 241.335 0.368 20 0 BCADHN C[C@H]1CCN(CCNS(C)(=O)=O)CC1(C)C ZINC000334289462 352928561 /nfs/dbraw/zinc/92/85/61/352928561.db2.gz AXFXKQMXGKYNRQ-JTQLQIEISA-N 0 3 248.392 0.904 20 0 BCADHN COCCCCN1CC[C@H](NC(N)=O)C1 ZINC000342869478 352883621 /nfs/dbraw/zinc/88/36/21/352883621.db2.gz YNSSVRKUMGQNKN-VIFPVBQESA-N 0 3 215.297 0.156 20 0 BCADHN COCCCCCN1CC[C@H](NC(N)=O)C1 ZINC000342873402 352885012 /nfs/dbraw/zinc/88/50/12/352885012.db2.gz ISCCYFBMTYYFHL-JTQLQIEISA-N 0 3 229.324 0.546 20 0 BCADHN Cc1cccc(C)c1NC(=O)C(=O)NCCN ZINC000037243172 187907854 /nfs/dbraw/zinc/90/78/54/187907854.db2.gz KUAYYGAQPTYQGQ-UHFFFAOYSA-N 0 3 235.287 0.317 20 0 BCADHN CC(C)[C@H]1CN([C@@H]2CCNC2=O)CCCO1 ZINC000334253348 352890579 /nfs/dbraw/zinc/89/05/79/352890579.db2.gz JVKDRVBWOLTDIH-GHMZBOCLSA-N 0 3 226.320 0.622 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@H](CO)[C@H]1C ZINC000412097589 191259951 /nfs/dbraw/zinc/25/99/51/191259951.db2.gz VFMXYXOIINVFDZ-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN OC[C@@]1(F)CCN(C[C@H]2CCCOC2)C1 ZINC000334265398 352900885 /nfs/dbraw/zinc/90/08/85/352900885.db2.gz YDYHUWWXDCFELO-GHMZBOCLSA-N 0 3 217.284 0.819 20 0 BCADHN COCCC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000334269010 352904962 /nfs/dbraw/zinc/90/49/62/352904962.db2.gz COAVCCFYQVCLOW-LBPRGKRZSA-N 0 3 226.320 0.577 20 0 BCADHN COCC(=O)N1CCOc2ccc(CN)cc21 ZINC000638804758 352976641 /nfs/dbraw/zinc/97/66/41/352976641.db2.gz VVWBMTLIOFMZJB-UHFFFAOYSA-N 0 3 236.271 0.517 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000638806487 352979484 /nfs/dbraw/zinc/97/94/84/352979484.db2.gz GVYXWPCOVWKMER-HRDYMLBCSA-N 0 3 200.282 0.265 20 0 BCADHN CNS(=O)(=O)C1CCN(C[C@@H]2C[C@H]2C)CC1 ZINC000334350110 352981784 /nfs/dbraw/zinc/98/17/84/352981784.db2.gz AVXGYPBXFUBHAJ-ZJUUUORDSA-N 0 3 246.376 0.656 20 0 BCADHN CC(C)(F)CNC(=O)C[C@H]1CNCCO1 ZINC000638813336 352993431 /nfs/dbraw/zinc/99/34/31/352993431.db2.gz VUJMQJIPQXDBHA-QMMMGPOBSA-N 0 3 218.272 0.229 20 0 BCADHN CCN[C@H](C)C(=O)NCCN(C)CC(F)F ZINC000638808936 352985066 /nfs/dbraw/zinc/98/50/66/352985066.db2.gz VPUAUPDRUAGBPR-MRVPVSSYSA-N 0 3 237.294 0.298 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H](O)C2(CC2)C1)N(C)C ZINC000334309685 352941979 /nfs/dbraw/zinc/94/19/79/352941979.db2.gz MVZJEAOCVJZQHJ-VHSXEESVSA-N 0 3 226.320 0.310 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H](CO)[C@H]1C ZINC000412097590 191261028 /nfs/dbraw/zinc/26/10/28/191261028.db2.gz VFMXYXOIINVFDZ-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN O=C(NC1CC1)N1CCN2CCC1CC2 ZINC000334332943 352969784 /nfs/dbraw/zinc/96/97/84/352969784.db2.gz SBLNZLGXJJXIDG-UHFFFAOYSA-N 0 3 209.293 0.638 20 0 BCADHN C[C@@H](NCC(=O)N1CCOCC1)[C@H]1CC1(F)F ZINC000638841944 353017665 /nfs/dbraw/zinc/01/76/65/353017665.db2.gz HFJZYLLHTMAIDB-RKDXNWHRSA-N 0 3 248.273 0.479 20 0 BCADHN CCNC(=O)CN[C@H](C)C[C@H]1CCCC(=O)N1 ZINC000638846832 353026911 /nfs/dbraw/zinc/02/69/11/353026911.db2.gz DZTIQXYDEHWGBR-NXEZZACHSA-N 0 3 241.335 0.159 20 0 BCADHN CC[C@H](N)C(=O)Nc1cncc(N(C)C)c1 ZINC000638847096 353026989 /nfs/dbraw/zinc/02/69/89/353026989.db2.gz JXJPEDINIWXPGV-JTQLQIEISA-N 0 3 222.292 0.823 20 0 BCADHN CN(C)c1cncc(NC(=O)C2(N)CCC2)c1 ZINC000638846802 353027244 /nfs/dbraw/zinc/02/72/44/353027244.db2.gz DETQFYCOHFGACL-UHFFFAOYSA-N 0 3 234.303 0.968 20 0 BCADHN COC(=O)CCN1CCC[C@@](C)(C(=O)OC)C1 ZINC000412107589 191262563 /nfs/dbraw/zinc/26/25/63/191262563.db2.gz RKBSTJVJDAOSLH-GFCCVEGCSA-N 0 3 243.303 0.825 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H](CO)c2cnn(C)c2)CS1 ZINC000638814389 352995274 /nfs/dbraw/zinc/99/52/74/352995274.db2.gz YXOZXVQWFVVIHW-MIMYLULJSA-N 0 3 241.360 0.937 20 0 BCADHN CO[C@@]1(CNCc2cc(C)ncn2)CCOC1 ZINC000638811355 353001047 /nfs/dbraw/zinc/00/10/47/353001047.db2.gz RTYNTAFZTIZOBN-GFCCVEGCSA-N 0 3 237.303 0.680 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H]1CCN(CC)C1=O ZINC000638825675 353006556 /nfs/dbraw/zinc/00/65/56/353006556.db2.gz VVPFUHUURQKCEX-CABZTGNLSA-N 0 3 241.335 0.241 20 0 BCADHN NC1(C(=O)N2CCC[C@@]3(CCCOC3)C2)CC1 ZINC000334362475 353013803 /nfs/dbraw/zinc/01/38/03/353013803.db2.gz KJSRYVJELUIKRG-GFCCVEGCSA-N 0 3 238.331 0.897 20 0 BCADHN C[C@H](N)C(=O)Nc1nc2c(cccc2F)n1C ZINC000334362568 353014384 /nfs/dbraw/zinc/01/43/84/353014384.db2.gz KNMCTCBMEWHCDZ-LURJTMIESA-N 0 3 236.250 0.998 20 0 BCADHN C[C@@H](Cc1cnccn1)NC1(CO)CC1 ZINC000638897666 353060444 /nfs/dbraw/zinc/06/04/44/353060444.db2.gz CDCNZBJKXNCXLY-VIFPVBQESA-N 0 3 207.277 0.522 20 0 BCADHN COC[C@](C)(CO)NC[C@H]1CCCCO1 ZINC000638874944 353045151 /nfs/dbraw/zinc/04/51/51/353045151.db2.gz ZKKHJYUEKZWYPJ-MNOVXSKESA-N 0 3 217.309 0.543 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N1CCCO1 ZINC000334384080 353046727 /nfs/dbraw/zinc/04/67/27/353046727.db2.gz LMSDNDYHIVAAQI-VIFPVBQESA-N 0 3 213.281 0.428 20 0 BCADHN CC(C)N(C)CC(=O)NCC1(CO)CCCC1 ZINC000186964819 188001281 /nfs/dbraw/zinc/00/12/81/188001281.db2.gz RJJIQJKJFVBQAG-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC(F)C1)N(C)C ZINC000334418537 353102136 /nfs/dbraw/zinc/10/21/36/353102136.db2.gz PNSGEFGZRUJWOK-VIFPVBQESA-N 0 3 202.273 0.753 20 0 BCADHN CC(=O)CCN1CCC[C@@H](N2CCNC2=O)C1 ZINC000365136804 188007992 /nfs/dbraw/zinc/00/79/92/188007992.db2.gz RJQFVJSNDXFRFI-LLVKDONJSA-N 0 3 239.319 0.455 20 0 BCADHN Cc1nc(N)sc1C(=O)NCCN(C)C ZINC000055170408 188008574 /nfs/dbraw/zinc/00/85/74/188008574.db2.gz NHTWUJLZKSFIHF-UHFFFAOYSA-N 0 3 228.321 0.325 20 0 BCADHN CCOC[C@H](O)CN1CCN(CC)[C@@H](C)C1 ZINC000223033838 353124932 /nfs/dbraw/zinc/12/49/32/353124932.db2.gz OYXBCQLWLVVVNE-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN C([C@H]1CCOC1)N1CCOC2(CCOCC2)C1 ZINC000336715988 188012909 /nfs/dbraw/zinc/01/29/09/188012909.db2.gz VLFHKERRGNQKCH-GFCCVEGCSA-N 0 3 241.331 0.904 20 0 BCADHN CCN(CC)CC(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000337485330 188014344 /nfs/dbraw/zinc/01/43/44/188014344.db2.gz YUFCFHVZHBZJTM-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)COC[C@@H](O)CN1CCCN(C)CC1 ZINC000339982290 188020503 /nfs/dbraw/zinc/02/05/03/188020503.db2.gz MLXMMHIIEURAGQ-ZDUSSCGKSA-N 0 3 244.379 0.657 20 0 BCADHN CN(C(=O)c1c[nH]cn1)[C@@H]1CCCN(C)C1 ZINC000265963681 188022267 /nfs/dbraw/zinc/02/22/67/188022267.db2.gz HWILLDSOROJJEE-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN CN(C(=O)c1cnc[nH]1)[C@@H]1CCCN(C)C1 ZINC000265963681 188022268 /nfs/dbraw/zinc/02/22/68/188022268.db2.gz HWILLDSOROJJEE-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN Cc1cc(CC(=O)NC[C@@H](C)N(C)C)n[nH]1 ZINC000267934172 188023706 /nfs/dbraw/zinc/02/37/06/188023706.db2.gz GELNOJBCMCFGBV-SECBINFHSA-N 0 3 224.308 0.327 20 0 BCADHN CC(C)N(CCO)Cc1cnc2cnccn12 ZINC000271031347 188025745 /nfs/dbraw/zinc/02/57/45/188025745.db2.gz IBENVIFVQXWSMG-UHFFFAOYSA-N 0 3 234.303 0.932 20 0 BCADHN CC(C)(C)[C@H](CO)NCc1cc(=O)c(O)co1 ZINC000278792109 188030372 /nfs/dbraw/zinc/03/03/72/188030372.db2.gz OEUYPQKLZWANLY-NSHDSACASA-N 0 3 241.287 0.842 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726679 188044266 /nfs/dbraw/zinc/04/42/66/188044266.db2.gz VMCJQVUTSXHXSX-MWLCHTKSSA-N 0 3 239.363 0.713 20 0 BCADHN CC(=O)Nc1ccccc1CN(C)CCC(N)=O ZINC000289960245 188035572 /nfs/dbraw/zinc/03/55/72/188035572.db2.gz ZBIKOJMEKRNEAB-UHFFFAOYSA-N 0 3 249.314 0.952 20 0 BCADHN CC(C)N(C)CC(=O)NCCC[C@@H](C)CO ZINC000340412973 188037571 /nfs/dbraw/zinc/03/75/71/188037571.db2.gz YLKFCBCUABTOOF-LLVKDONJSA-N 0 3 230.352 0.851 20 0 BCADHN CN1CC[C@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 ZINC000334474988 353119143 /nfs/dbraw/zinc/11/91/43/353119143.db2.gz NKJADDYIEWWHFU-ZDUSSCGKSA-N 0 3 236.315 0.520 20 0 BCADHN CC(C)N(C)CC(=O)N(C)Cc1nccn1C ZINC000299541732 188041702 /nfs/dbraw/zinc/04/17/02/188041702.db2.gz UMGUBPSJPWLTQX-UHFFFAOYSA-N 0 3 238.335 0.719 20 0 BCADHN CC(C)(N)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000040922155 188042631 /nfs/dbraw/zinc/04/26/31/188042631.db2.gz RWGIAPJWOOOWKJ-UHFFFAOYSA-N 0 3 235.287 0.390 20 0 BCADHN CC(C)[C@@](C)(CO)NCc1ccnn1C ZINC000336766912 188005150 /nfs/dbraw/zinc/00/51/50/188005150.db2.gz SMJOFMHVRYYDDB-LLVKDONJSA-N 0 3 211.309 0.917 20 0 BCADHN C=Cn1cc(CN[C@@](C)(CCO)COC)cn1 ZINC000194355331 188005185 /nfs/dbraw/zinc/00/51/85/188005185.db2.gz PENSGPHIUSMUPA-LBPRGKRZSA-N 0 3 239.319 0.861 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C ZINC000126203997 188046744 /nfs/dbraw/zinc/04/67/44/188046744.db2.gz YGCFXYFPPOFASG-KOLCDFICSA-N 0 3 241.335 0.097 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)C[C@@H]1CCC[C@H]1O ZINC000331319286 188046940 /nfs/dbraw/zinc/04/69/40/188046940.db2.gz KEKLAGKSHAMOJN-QJPTWQEYSA-N 0 3 229.320 0.419 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC(=O)N(C)C1CCC1 ZINC000162746141 188048838 /nfs/dbraw/zinc/04/88/38/188048838.db2.gz IHYGMDPPGMNSEU-NSHDSACASA-N 0 3 241.335 0.097 20 0 BCADHN CC(=O)CSCC(=O)N[C@H](C)CN(C)C ZINC000346174288 188051255 /nfs/dbraw/zinc/05/12/55/188051255.db2.gz XXAZYSFQGLDJCC-MRVPVSSYSA-N 0 3 232.349 0.375 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H]2NCC2(C)C)[C@@H](C)O1 ZINC000638943706 353143166 /nfs/dbraw/zinc/14/31/66/353143166.db2.gz KICZOWULAHHXPA-IMSYWVGJSA-N 0 3 226.320 0.667 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H]2NCC2(C)C)[C@H](C)O1 ZINC000638943707 353143420 /nfs/dbraw/zinc/14/34/20/353143420.db2.gz KICZOWULAHHXPA-KATARQTJSA-N 0 3 226.320 0.667 20 0 BCADHN CC(C)N(C)CC(=O)N1CCNC[C@](C)(F)C1 ZINC000336221686 188054472 /nfs/dbraw/zinc/05/44/72/188054472.db2.gz CMVNVXOMOZMVFN-LBPRGKRZSA-N 0 3 245.342 0.487 20 0 BCADHN CC[C@@H](C(=O)N1CCOCC2(CC2)C1)N(C)C ZINC000336378830 188055880 /nfs/dbraw/zinc/05/58/80/188055880.db2.gz PYJNBAWPTXFMQM-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@]1(C)CCCN([C@@H]2CCNC2=O)CC1 ZINC000336547968 188057351 /nfs/dbraw/zinc/05/73/51/188057351.db2.gz ICZWYZRYZFXAEO-ZYHUDNBSSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)[C@H](C)N(C)CC(=O)N1CCOCC1 ZINC000341812340 188044515 /nfs/dbraw/zinc/04/45/15/188044515.db2.gz XVKMUGFOEDIGHA-NSHDSACASA-N 0 3 228.336 0.822 20 0 BCADHN CC(C)[C@H](C(=O)N(C)[C@@H]1CCC[C@H]1O)N(C)C ZINC000341790625 188045262 /nfs/dbraw/zinc/04/52/62/188045262.db2.gz OHVBCYRAOZDEDI-IJLUTSLNSA-N 0 3 242.363 0.944 20 0 BCADHN Cc1cn[nH]c1CN[C@H]1COC[C@H]1n1ccnn1 ZINC000329547664 538109236 /nfs/dbraw/zinc/10/92/36/538109236.db2.gz AZZFMEJVNUYYTM-WDEREUQCSA-N 0 3 248.290 0.039 20 0 BCADHN CCOC[C@@H](C)N[C@H](C)C(=O)N(C)CC ZINC000188490900 353174608 /nfs/dbraw/zinc/17/46/08/353174608.db2.gz AZNFYRGNNHYCDF-NXEZZACHSA-N 0 3 216.325 0.868 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)CCOCC1CC1 ZINC000087399627 535204212 /nfs/dbraw/zinc/20/42/12/535204212.db2.gz PAABHSHNLSOUAH-LLVKDONJSA-N 0 3 228.336 0.855 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@H](C)COC ZINC000188493971 353177099 /nfs/dbraw/zinc/17/70/99/353177099.db2.gz VTZGTVGJMBITFO-RKDXNWHRSA-N 0 3 202.298 0.478 20 0 BCADHN CC1(OCC(=O)N[C@]23C[C@H]2CCCC3)CNC1 ZINC000638971343 353179064 /nfs/dbraw/zinc/17/90/64/353179064.db2.gz BVMPAVVLNTUHHQ-ZWNOBZJWSA-N 0 3 238.331 0.814 20 0 BCADHN CCN1CCC(NC(=O)Cc2ccon2)CC1 ZINC000330860834 353187418 /nfs/dbraw/zinc/18/74/18/353187418.db2.gz LCWMAVSSXCOWLW-UHFFFAOYSA-N 0 3 237.303 0.818 20 0 BCADHN Cc1cc(N)cc(NC(=O)COC2(C)CNC2)c1 ZINC000638984405 353202217 /nfs/dbraw/zinc/20/22/17/353202217.db2.gz MIPKSSSYWJPZLP-UHFFFAOYSA-N 0 3 249.314 0.894 20 0 BCADHN Cc1cc(N)cc(NC(=O)[C@H]2CCN2)c1 ZINC000638984983 353210099 /nfs/dbraw/zinc/21/00/99/353210099.db2.gz QXOFUQOZOWTKSX-SNVBAGLBSA-N 0 3 205.261 0.878 20 0 BCADHN Cc1ccc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)nn1 ZINC000412241535 191270077 /nfs/dbraw/zinc/27/00/77/191270077.db2.gz HYTSNXJPTNUIBT-WDEREUQCSA-N 0 3 248.330 0.998 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@](C)(O)C(C)C ZINC000331009549 353212100 /nfs/dbraw/zinc/21/21/00/353212100.db2.gz INCKFULVZORMJT-DGCLKSJQSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)CC[C@H](O)CN[C@H]1C(=O)NCC[C@H]1C ZINC000331271399 353232935 /nfs/dbraw/zinc/23/29/35/353232935.db2.gz NBVKHRYPPAFMLR-GRYCIOLGSA-N 0 3 242.363 0.898 20 0 BCADHN CCc1nc(C(=O)NC[C@@H]2CCCN2C)no1 ZINC000331090857 353221410 /nfs/dbraw/zinc/22/14/10/353221410.db2.gz VVWQELRQOJWEJE-QMMMGPOBSA-N 0 3 238.291 0.456 20 0 BCADHN Cc1ccc(CNC(=O)[C@@H]2OCC[C@@H]2N)o1 ZINC000638990441 353225023 /nfs/dbraw/zinc/22/50/23/353225023.db2.gz JSIVXIMGNHYMQB-VHSXEESVSA-N 0 3 224.260 0.320 20 0 BCADHN Cn1nc2c(c1NC(=O)CNC1CC1)CCCC2 ZINC000638990756 353225666 /nfs/dbraw/zinc/22/56/66/353225666.db2.gz QTJWYVUINKFZGV-UHFFFAOYSA-N 0 3 248.330 0.989 20 0 BCADHN CCN1CCN(C[C@@H](O)C(F)(F)F)C[C@@H]1C ZINC000225433985 538112875 /nfs/dbraw/zinc/11/28/75/538112875.db2.gz KVJDYSMQWSOREV-DTWKUNHWSA-N 0 3 240.269 0.936 20 0 BCADHN CN1CC=C(CNC(=O)C[C@H]2CCCO2)CC1 ZINC000343255108 353251794 /nfs/dbraw/zinc/25/17/94/353251794.db2.gz VAJJCXGOEXAHKZ-GFCCVEGCSA-N 0 3 238.331 0.934 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000639004569 353254535 /nfs/dbraw/zinc/25/45/35/353254535.db2.gz QAVJXJXFFFMTSG-NGJCXOISSA-N 0 3 210.199 0.791 20 0 BCADHN NC1(C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000638997789 353240395 /nfs/dbraw/zinc/24/03/95/353240395.db2.gz DUSGBAOPDRZLHI-GHMZBOCLSA-N 0 3 238.331 0.942 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000638998214 353241052 /nfs/dbraw/zinc/24/10/52/353241052.db2.gz FUXBNQXHTDFDSI-LSJOCFKGSA-N 0 3 226.320 0.798 20 0 BCADHN Cn1ncnc1CN[C@H]1CCN(C2CC2)C1 ZINC000083970899 538112576 /nfs/dbraw/zinc/11/25/76/538112576.db2.gz JNHAETKURCBSIT-VIFPVBQESA-N 0 3 221.308 0.141 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@H](O)CN(C)C ZINC000134559986 538113513 /nfs/dbraw/zinc/11/35/13/538113513.db2.gz RKFZLSWRRGRAPW-WPRPVWTQSA-N 0 3 226.324 0.291 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NCCCOCCO ZINC000134728272 538113639 /nfs/dbraw/zinc/11/36/39/538113639.db2.gz PKRKCHQKOJXFAP-SECBINFHSA-N 0 3 227.308 0.768 20 0 BCADHN O[C@H](CC1CCCC1)CN1CC[C@H](O)C1 ZINC000188639993 353261219 /nfs/dbraw/zinc/26/12/19/353261219.db2.gz ISSJBVHRZSIOLS-NWDGAFQWSA-N 0 3 213.321 0.994 20 0 BCADHN CCN1CCN(C(=O)CN(C)C(C)C)CC1 ZINC000343260006 353262539 /nfs/dbraw/zinc/26/25/39/353262539.db2.gz FPQKLAKMUYQXBX-UHFFFAOYSA-N 0 3 227.352 0.491 20 0 BCADHN CN(Cc1ncc[nH]1)C(=O)[C@@H]1NCC1(C)C ZINC000639012744 353266782 /nfs/dbraw/zinc/26/67/82/353266782.db2.gz CLFDSSMPJWAEIE-VIFPVBQESA-N 0 3 222.292 0.366 20 0 BCADHN CC(=O)CCC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000367251447 188238961 /nfs/dbraw/zinc/23/89/61/188238961.db2.gz OBAFDVRLPHBXNQ-RYUDHWBXSA-N 0 3 238.331 0.908 20 0 BCADHN CC(C)[N@@H+](C)C[C@@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000357561373 188239898 /nfs/dbraw/zinc/23/98/98/188239898.db2.gz CSCOOANNXZZCSQ-SECBINFHSA-N 0 3 248.334 0.867 20 0 BCADHN CC(C)[N@H+](C)C[C@@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000357561373 188239900 /nfs/dbraw/zinc/23/99/00/188239900.db2.gz CSCOOANNXZZCSQ-SECBINFHSA-N 0 3 248.334 0.867 20 0 BCADHN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)CN ZINC000236791724 188258556 /nfs/dbraw/zinc/25/85/56/188258556.db2.gz IFRFIBMHQVGIRP-ONGXEEELSA-N 0 3 214.309 0.513 20 0 BCADHN CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)[N-]C1=NCCS1 ZINC000368104304 188246398 /nfs/dbraw/zinc/24/63/98/188246398.db2.gz DROBGEQQQSUXKM-BDAKNGLRSA-N 0 3 241.360 0.840 20 0 BCADHN C(CN1CCO[C@H]2C[C@H]21)N1CCCCC1 ZINC000367849340 188246648 /nfs/dbraw/zinc/24/66/48/188246648.db2.gz XMEVYNYSLONGFT-NEPJUHHUSA-N 0 3 210.321 0.945 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCN(CCO)CC1 ZINC000303246892 188249134 /nfs/dbraw/zinc/24/91/34/188249134.db2.gz STSPFFWLVAWTNV-NSHDSACASA-N 0 3 230.352 0.003 20 0 BCADHN CC(C)(O)CN1CC[C@H](NC(=O)C2CCC2)C1 ZINC000372603454 188249228 /nfs/dbraw/zinc/24/92/28/188249228.db2.gz ZKLCUJMEEXEBRR-NSHDSACASA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)[C@H](O)CN1CCNC(=O)C[C@H]1C ZINC000374087052 188249705 /nfs/dbraw/zinc/24/97/05/188249705.db2.gz AHCWXSMGZMBARS-NXEZZACHSA-N 0 3 214.309 0.214 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000161694637 353291783 /nfs/dbraw/zinc/29/17/83/353291783.db2.gz BASDNOUWUNQCMC-OPRDCNLKSA-N 0 3 235.349 0.577 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@@H](O)C1)N(C)C ZINC000305087841 188250605 /nfs/dbraw/zinc/25/06/05/188250605.db2.gz VFAYATDCWWHBFT-ZJUUUORDSA-N 0 3 214.309 0.310 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)O ZINC000304283232 188250779 /nfs/dbraw/zinc/25/07/79/188250779.db2.gz ZJQUSVOLAYOMRX-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN CC1(C)OCC[C@@H]1NC[C@@H](O)C(F)F ZINC000328466353 188255150 /nfs/dbraw/zinc/25/51/50/188255150.db2.gz XHZPGHNTZOVVRB-RQJHMYQMSA-N 0 3 209.236 0.770 20 0 BCADHN CC1(C)OCC[C@@H]1NCC1(S(C)(=O)=O)CC1 ZINC000331523447 188255472 /nfs/dbraw/zinc/25/54/72/188255472.db2.gz RHUVAENPHOFSQF-VIFPVBQESA-N 0 3 247.360 0.721 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000123768642 188256962 /nfs/dbraw/zinc/25/69/62/188256962.db2.gz HREGRJQMQUWNNX-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)COCCN1C[C@H](C)[C@H](O)C1 ZINC000337328351 188257797 /nfs/dbraw/zinc/25/77/97/188257797.db2.gz YQHNDOBAIACGQP-WDEREUQCSA-N 0 3 201.310 0.972 20 0 BCADHN Cc1nn(C)cc1CNCCCn1ccnn1 ZINC000126611152 188258115 /nfs/dbraw/zinc/25/81/15/188258115.db2.gz HENSZKBYRUAOBO-UHFFFAOYSA-N 0 3 234.307 0.500 20 0 BCADHN CCN(CCNC(=O)[C@H]1CC[C@H](O)C1)C1CC1 ZINC000343272536 353295236 /nfs/dbraw/zinc/29/52/36/353295236.db2.gz MXDJJXCMKIIGMK-JQWIXIFHSA-N 0 3 240.347 0.748 20 0 BCADHN CCCN[C@@H](C)C(=O)N1CCn2nccc21 ZINC000639035185 353309120 /nfs/dbraw/zinc/30/91/20/353309120.db2.gz VYNLFULTXRVRSW-VIFPVBQESA-N 0 3 222.292 0.618 20 0 BCADHN CC(C)(NC(=O)C[C@H](N)c1ccccc1)C(N)=O ZINC000040675464 188292638 /nfs/dbraw/zinc/29/26/38/188292638.db2.gz ODUNGHYZUYRCRO-JTQLQIEISA-N 0 3 249.314 0.457 20 0 BCADHN Cc1cc(C)cc(CNC[C@H](O)CO)c1 ZINC000083345865 188295434 /nfs/dbraw/zinc/29/54/34/188295434.db2.gz XAUXTFSBVIJEEY-LBPRGKRZSA-N 0 3 209.289 0.746 20 0 BCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000068219340 188296454 /nfs/dbraw/zinc/29/64/54/188296454.db2.gz XYVNSNBRFXAWHT-RKDXNWHRSA-N 0 3 241.335 0.110 20 0 BCADHN COc1ccc(CN2CC[C@@H](O)C2)cc1N ZINC000061709680 188302651 /nfs/dbraw/zinc/30/26/51/188302651.db2.gz SADIGAIPVBJSJW-SNVBAGLBSA-N 0 3 222.288 0.844 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CCn2nccc21 ZINC000639034424 353304222 /nfs/dbraw/zinc/30/42/22/353304222.db2.gz FLGDGFVRHZDEIH-VIFPVBQESA-N 0 3 222.292 0.603 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@@H]2COC[C@H]2O)C1(C)C ZINC000252739299 353304375 /nfs/dbraw/zinc/30/43/75/353304375.db2.gz GSDVXXGGMQWBBM-CHWFTXMASA-N 0 3 229.320 0.539 20 0 BCADHN Cc1nn(C)cc1CN1CCC[C@H]1CO ZINC000092455579 188305698 /nfs/dbraw/zinc/30/56/98/188305698.db2.gz ZAXZNMSJRUJJFR-NSHDSACASA-N 0 3 209.293 0.685 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCn2nccc21 ZINC000639034177 353305480 /nfs/dbraw/zinc/30/54/80/353305480.db2.gz ABWNGNNNPNJCHJ-SECBINFHSA-N 0 3 208.265 0.213 20 0 BCADHN CCN[C@H](C)C(=O)N1CCn2nccc21 ZINC000639034444 353306980 /nfs/dbraw/zinc/30/69/80/353306980.db2.gz FZBKUQCBINVDOM-MRVPVSSYSA-N 0 3 208.265 0.228 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1cnccn1 ZINC000054460746 353336189 /nfs/dbraw/zinc/33/61/89/353336189.db2.gz FFKBVMHMSPUBQY-SNVBAGLBSA-N 0 3 234.303 0.691 20 0 BCADHN C[C@H]1C[C@H](NC2(C(N)=O)CC2)CS1 ZINC000639042300 353323946 /nfs/dbraw/zinc/32/39/46/353323946.db2.gz DVMZRBGTJBJINJ-BQBZGAKWSA-N 0 3 200.307 0.488 20 0 BCADHN NC(=O)c1cc(CNC[C@@H]2C[C@H]3C[C@H]3C2)on1 ZINC000639042280 353324223 /nfs/dbraw/zinc/32/42/23/353324223.db2.gz DKOPPBLOXZYRNN-AYMMMOKOSA-N 0 3 235.287 0.909 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000131862078 188317879 /nfs/dbraw/zinc/31/78/79/188317879.db2.gz XVXNZRRLRBIHKC-AEJSXWLSSA-N 0 3 213.325 0.179 20 0 BCADHN Cc1n[nH]cc1CNCC1(CCO)CC1 ZINC000133061577 188318656 /nfs/dbraw/zinc/31/86/56/188318656.db2.gz XGIYKOPNAVPWPS-UHFFFAOYSA-N 0 3 209.293 0.970 20 0 BCADHN COc1ccc(CCN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093092084 188319206 /nfs/dbraw/zinc/31/92/06/188319206.db2.gz DJEVAPLZYOBXHH-BETUJISGSA-N 0 3 237.299 0.275 20 0 BCADHN Cc1ccc(NC(=O)C[C@@H]2CNCCO2)nc1 ZINC000091299226 188319405 /nfs/dbraw/zinc/31/94/05/188319405.db2.gz PVCLWEAVXHPRFM-SNVBAGLBSA-N 0 3 235.287 0.707 20 0 BCADHN CCCN(C)CC(=O)N1CC(O)(CC)C1 ZINC000412326327 191275220 /nfs/dbraw/zinc/27/52/20/191275220.db2.gz COFHKEBGYMWINU-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN CO[C@@H](C)CN(C)C[C@H](O)CSC ZINC000336659691 188339488 /nfs/dbraw/zinc/33/94/88/188339488.db2.gz TZEWJELSMXPGNA-IUCAKERBSA-N 0 3 207.339 0.677 20 0 BCADHN Cn1ncnc1CNC[C@@H]1CCSC1 ZINC000226383719 538115787 /nfs/dbraw/zinc/11/57/87/538115787.db2.gz OCTUDRXQENTGSV-QMMMGPOBSA-N 0 3 212.322 0.658 20 0 BCADHN CC(=O)N1CCc2cc(NC(=O)[C@H](C)N)ccc21 ZINC000037017480 188325147 /nfs/dbraw/zinc/32/51/47/188325147.db2.gz SXWBSJHXONZNCP-QMMMGPOBSA-N 0 3 247.298 0.881 20 0 BCADHN COc1ccc([C@H](C)NC(=O)CN)cc1F ZINC000037032570 188325505 /nfs/dbraw/zinc/32/55/05/188325505.db2.gz MTTDSQBJWJCNHX-ZETCQYMHSA-N 0 3 226.251 0.970 20 0 BCADHN Cc1nn(C)cc1CNCCC[C@H](C)O ZINC000227955278 188331493 /nfs/dbraw/zinc/33/14/93/188331493.db2.gz BYLWWERUGJFZNI-VIFPVBQESA-N 0 3 211.309 0.979 20 0 BCADHN Cc1cc(C(=O)NCCOCCN(C)C)on1 ZINC000537543005 324077960 /nfs/dbraw/zinc/07/79/60/324077960.db2.gz NEOKPTQWRIIVEI-UHFFFAOYSA-N 0 3 241.291 0.291 20 0 BCADHN CN(C)CCOCCNC(=O)c1cccnc1 ZINC000537545653 324078533 /nfs/dbraw/zinc/07/85/33/324078533.db2.gz CZIFINYYOAPMJS-UHFFFAOYSA-N 0 3 237.303 0.390 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000052009196 188332257 /nfs/dbraw/zinc/33/22/57/188332257.db2.gz BZIAPZCHYXLRNJ-BBBLOLIVSA-N 0 3 214.309 0.389 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCCn1cccn1 ZINC000152918345 188332687 /nfs/dbraw/zinc/33/26/87/188332687.db2.gz LQXRVCBFKJIYGZ-JTQLQIEISA-N 0 3 224.308 0.373 20 0 BCADHN Cc1cc(CNC[C@]2(O)CCN(C)C2)sn1 ZINC000639049418 353344524 /nfs/dbraw/zinc/34/45/24/353344524.db2.gz QUNDFPQWRCXLBZ-LLVKDONJSA-N 0 3 241.360 0.608 20 0 BCADHN CC(C)(N)C(=O)NC[C@H](O)c1cccc(F)c1 ZINC000155901651 188333370 /nfs/dbraw/zinc/33/33/70/188333370.db2.gz ANJCLTHQVXOBPU-JTQLQIEISA-N 0 3 240.278 0.713 20 0 BCADHN Cc1nn(C)cc1CNC[C@@](C)(O)C1CC1 ZINC000336669860 188340366 /nfs/dbraw/zinc/34/03/66/188340366.db2.gz NDTLOHNFPMHDBD-GFCCVEGCSA-N 0 3 223.320 0.979 20 0 BCADHN C[C@](O)(CO)CNCc1cccc(O)c1 ZINC000085250356 538116229 /nfs/dbraw/zinc/11/62/29/538116229.db2.gz VIGOVFIMKOAYSB-LLVKDONJSA-N 0 3 211.261 0.225 20 0 BCADHN Cc1cc(F)ccc1CNC[C@@](C)(O)CO ZINC000085251036 538116296 /nfs/dbraw/zinc/11/62/96/538116296.db2.gz OAILYIOYXZXUAF-GFCCVEGCSA-N 0 3 227.279 0.967 20 0 BCADHN CC(C)N(C)CC(=O)NCC1=CCN(C)CC1 ZINC000343290250 353370173 /nfs/dbraw/zinc/37/01/73/353370173.db2.gz MRXAUCLRUMZZCE-UHFFFAOYSA-N 0 3 239.363 0.705 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@@](C)(O)C1 ZINC000180184324 188343860 /nfs/dbraw/zinc/34/38/60/188343860.db2.gz BIOOPFGBCJHBNV-LLVKDONJSA-N 0 3 209.293 0.685 20 0 BCADHN CC[C@@](C)(CN1CCN2CCOC[C@H]2C1)OC ZINC000639062101 353371642 /nfs/dbraw/zinc/37/16/42/353371642.db2.gz QPWFETZFRKFEOS-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN CC(C)N(CC(=O)N1CCCC1)C[C@@H](C)O ZINC000107050099 188344867 /nfs/dbraw/zinc/34/48/67/188344867.db2.gz XCOWTYAEVABOQB-LLVKDONJSA-N 0 3 228.336 0.700 20 0 BCADHN Cc1nsc(NC(=O)C2(N)CCC2)n1 ZINC000131797318 353376680 /nfs/dbraw/zinc/37/66/80/353376680.db2.gz AYTAQLOXGPZXPE-UHFFFAOYSA-N 0 3 212.278 0.666 20 0 BCADHN CCC[C@@H](CCO)CNCc1cnnn1C ZINC000165508523 353378999 /nfs/dbraw/zinc/37/89/99/353378999.db2.gz XTPSWDABMXYKDH-JTQLQIEISA-N 0 3 226.324 0.703 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000119683202 188348816 /nfs/dbraw/zinc/34/88/16/188348816.db2.gz TVQMYAUEMCTTLU-CMPLNLGQSA-N 0 3 226.320 0.609 20 0 BCADHN CCN(C)C(=O)CNC[C@@H](OC)[C@H]1CCOC1 ZINC000639067410 353381130 /nfs/dbraw/zinc/38/11/30/353381130.db2.gz XCHRWOABAZTSQG-WDEREUQCSA-N 0 3 244.335 0.106 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@@H]1CC[C@H](C)O1 ZINC000190374076 353397595 /nfs/dbraw/zinc/39/75/95/353397595.db2.gz NCJZUACYNZBVKW-QWRGUYRKSA-N 0 3 228.336 0.997 20 0 BCADHN C=Cn1cc(CN[C@@H](CCO)COC)cn1 ZINC000219386442 188355391 /nfs/dbraw/zinc/35/53/91/188355391.db2.gz AEBSBWXVVZTASL-NSHDSACASA-N 0 3 225.292 0.471 20 0 BCADHN CC(C)N(CCN1CCCS1(=O)=O)C1CC1 ZINC000336708605 188359647 /nfs/dbraw/zinc/35/96/47/188359647.db2.gz VOTPLDNGJQBNFV-UHFFFAOYSA-N 0 3 246.376 0.895 20 0 BCADHN COCCCN(CCO)Cc1ccc(=O)[nH]c1 ZINC000639085666 353424860 /nfs/dbraw/zinc/42/48/60/353424860.db2.gz JKLUBSAZXQEEJE-UHFFFAOYSA-N 0 3 240.303 0.618 20 0 BCADHN CC1(C)C[C@H](NCc2cn[nH]n2)CCO1 ZINC000398348924 363223800 /nfs/dbraw/zinc/22/38/00/363223800.db2.gz RCZNDBRBWUUFTJ-MRVPVSSYSA-N 0 3 210.281 0.852 20 0 BCADHN CC1(C)CN(C(=O)C[C@H]2CNCCO2)CCO1 ZINC000091299561 353405964 /nfs/dbraw/zinc/40/59/64/353405964.db2.gz VHGXWSPDHWHWRI-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN CC(C)(N)C(=O)Nc1cnn(CC(F)F)c1 ZINC000236809173 188368538 /nfs/dbraw/zinc/36/85/38/188368538.db2.gz PQTVRWZLYLSLKM-UHFFFAOYSA-N 0 3 232.234 0.824 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000262307609 188370337 /nfs/dbraw/zinc/37/03/37/188370337.db2.gz MTQBRNFFSGWNDH-ZJUUUORDSA-N 0 3 236.319 0.887 20 0 BCADHN CC(C)(N)C(=O)NCCCNc1ccccn1 ZINC000262665552 188370842 /nfs/dbraw/zinc/37/08/42/188370842.db2.gz PGTKAJAGLTVFQZ-UHFFFAOYSA-N 0 3 236.319 0.737 20 0 BCADHN Cn1c(CNC[C@@H](O)CO)cc2ccccc21 ZINC000639089102 353445426 /nfs/dbraw/zinc/44/54/26/353445426.db2.gz NFCIHAJEOLUDLU-GFCCVEGCSA-N 0 3 234.299 0.621 20 0 BCADHN CC[C@]1(NCC(=O)N(C)C)CCOC1 ZINC000308728445 538117335 /nfs/dbraw/zinc/11/73/35/538117335.db2.gz HWPPRKPIDBADMN-JTQLQIEISA-N 0 3 200.282 0.233 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@@](C)(C(N)=O)C1 ZINC000280337084 188384041 /nfs/dbraw/zinc/38/40/41/188384041.db2.gz ROYBJPWHUZCQTK-GFCCVEGCSA-N 0 3 236.319 0.426 20 0 BCADHN COCCCCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000167429971 133970536 /nfs/dbraw/zinc/97/05/36/133970536.db2.gz QLYCGHJROBERNY-GHMZBOCLSA-N 0 3 228.336 0.917 20 0 BCADHN CO[C@@H](C)CN(C)CCN1CCO[C@H](C)C1 ZINC000353200285 188385976 /nfs/dbraw/zinc/38/59/76/188385976.db2.gz IOSBKQNHZZUGQK-NWDGAFQWSA-N 0 3 230.352 0.674 20 0 BCADHN COCCNCC(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000230242634 353481318 /nfs/dbraw/zinc/48/13/18/353481318.db2.gz GYVWJVODQKRLPO-QWRGUYRKSA-N 0 3 244.335 0.106 20 0 BCADHN CO[C@H]1CN(C(=O)[C@@H](N)C(C)C)CC[C@@H]1C ZINC000230242790 353482070 /nfs/dbraw/zinc/48/20/70/353482070.db2.gz ZYUXFLKIYNDPKG-DCAQKATOSA-N 0 3 228.336 0.853 20 0 BCADHN CC(C)C[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccco1 ZINC000340560570 188395309 /nfs/dbraw/zinc/39/53/09/188395309.db2.gz GQPNHNGVBOKPFF-VIFPVBQESA-N 0 3 246.332 0.931 20 0 BCADHN CC(C)(N)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000297356460 188395372 /nfs/dbraw/zinc/39/53/72/188395372.db2.gz JWYDWLZTMLSTBN-UHFFFAOYSA-N 0 3 245.286 0.943 20 0 BCADHN CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)O2)N(C)C ZINC000340792167 188398190 /nfs/dbraw/zinc/39/81/90/188398190.db2.gz IVXJBKOSXZTALN-GRYCIOLGSA-N 0 3 240.347 0.962 20 0 BCADHN CC(C)N(C)CC(=O)NCCOCC1CC1 ZINC000341998904 188398937 /nfs/dbraw/zinc/39/89/37/188398937.db2.gz QHIQBXNRQIODAE-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN CCCN(C)CC(=O)N1CCO[C@H](CF)C1 ZINC000412435360 191281893 /nfs/dbraw/zinc/28/18/93/191281893.db2.gz MVOSWYBOYDJSFE-SNVBAGLBSA-N 0 3 232.299 0.525 20 0 BCADHN CNC(=O)C(C)(C)CN[C@@H](C)c1cnccn1 ZINC000230403581 353493057 /nfs/dbraw/zinc/49/30/57/353493057.db2.gz QKXODVJELCXNIU-VIFPVBQESA-N 0 3 236.319 0.899 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCCCO1)N(C)C ZINC000412388958 191282421 /nfs/dbraw/zinc/28/24/21/191282421.db2.gz UQQOICSGJLNDCK-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)Cc1nccn1C ZINC000037823029 358478840 /nfs/dbraw/zinc/47/88/40/358478840.db2.gz NRWWDEZTISIDOZ-SNVBAGLBSA-N 0 3 238.335 0.896 20 0 BCADHN N[C@@H](C(=O)NCCc1ccccn1)C1CCC1 ZINC000398991822 353495974 /nfs/dbraw/zinc/49/59/74/353495974.db2.gz LQIXWZYPZPWBNL-GFCCVEGCSA-N 0 3 233.315 0.868 20 0 BCADHN CC[C@@H]1CCCN(C(=O)[C@@H](CN)OC)C1 ZINC000227350790 363233757 /nfs/dbraw/zinc/23/37/57/363233757.db2.gz SOVRPHRHVUYVQZ-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN CC(C)=CCCNCc1cnc(N)nc1N ZINC000639099202 353504233 /nfs/dbraw/zinc/50/42/33/353504233.db2.gz JVZSQHSNVZIKNH-UHFFFAOYSA-N 0 3 221.308 0.748 20 0 BCADHN CC[C@@H]1CN(C(=O)C2CCN(C)CC2)CCO1 ZINC000334514787 353596040 /nfs/dbraw/zinc/59/60/40/353596040.db2.gz SSTMKVPWMUYXMY-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN O[C@@]1(CNCc2cncc(F)c2)CCOC1 ZINC000230942017 353555115 /nfs/dbraw/zinc/55/51/15/353555115.db2.gz KLXUPLDVMQHQQG-LLVKDONJSA-N 0 3 226.251 0.462 20 0 BCADHN CO[C@@H]1CN(Cc2ccc(=O)[nH]c2)C[C@@H]1OC ZINC000639101951 353556986 /nfs/dbraw/zinc/55/69/86/353556986.db2.gz KBXOOPNLKDQYBU-PHIMTYICSA-N 0 3 238.287 0.633 20 0 BCADHN CC(C)[C@@H](CCO)NCC(=O)N1CCCCC1 ZINC000231040917 353560970 /nfs/dbraw/zinc/56/09/70/353560970.db2.gz CUFDCKRCFZTYGU-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN CNCC(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000193136173 353571595 /nfs/dbraw/zinc/57/15/95/353571595.db2.gz UNXFAIRZVRVGID-JQWIXIFHSA-N 0 3 236.315 0.314 20 0 BCADHN C[C@@H](N[C@@H](C)[C@@H]1CCCCO1)C(N)=O ZINC000639107758 353639516 /nfs/dbraw/zinc/63/95/16/353639516.db2.gz CTZAHAQGNGAWKR-YIZRAAEISA-N 0 3 200.282 0.407 20 0 BCADHN C(NC[C@@H]1C[C@H]2C[C@H]2C1)c1nnc2n1CCOC2 ZINC000639107279 353641670 /nfs/dbraw/zinc/64/16/70/353641670.db2.gz ZMNJXHVWEFTEAB-JGPRNRPPSA-N 0 3 248.330 0.944 20 0 BCADHN CCOCC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000227525142 363240519 /nfs/dbraw/zinc/24/05/19/363240519.db2.gz BIRCOKSPMHASPI-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CCOCCNC(=O)N[C@@H]1CCCN(CC)C1 ZINC000194141292 353613087 /nfs/dbraw/zinc/61/30/87/353613087.db2.gz SIAPYRAAUFYZMJ-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN CCN(CC(=O)NC(=O)NC1CC1)C(C)C ZINC000194091237 353618188 /nfs/dbraw/zinc/61/81/88/353618188.db2.gz RECYAXQQTCWABN-UHFFFAOYSA-N 0 3 227.308 0.705 20 0 BCADHN CN1CCO[C@@H]2CCN(CCCF)C[C@@H]21 ZINC000334519896 353676191 /nfs/dbraw/zinc/67/61/91/353676191.db2.gz SGAKODWARNGIDW-WDEREUQCSA-N 0 3 216.300 0.751 20 0 BCADHN CO[C@H](C[NH3+])CC(=O)[N-]OCc1ccccc1 ZINC000232121396 353690911 /nfs/dbraw/zinc/69/09/11/353690911.db2.gz NTAJYRFOUDMYLX-NSHDSACASA-N 0 3 238.287 0.598 20 0 BCADHN O=C1CCC[C@@H](CNCc2ccc(CO)cc2)N1 ZINC000639116780 353732885 /nfs/dbraw/zinc/73/28/85/353732885.db2.gz ZWPLECZPKDDXLU-ZDUSSCGKSA-N 0 3 248.326 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C[C@H](CCO)NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345691784 354733758 /nfs/dbraw/zinc/73/37/58/354733758.db2.gz KEMPZUIPJUJBBL-MXWKQRLJSA-N 0 3 243.351 0.539 20 0 BCADHN CN(C)CCOCCNC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000345603027 354727415 /nfs/dbraw/zinc/72/74/15/354727415.db2.gz MFSOZRJZPCLLKY-VXGBXAGGSA-N 0 3 240.347 0.727 20 0 BCADHN COCCN(C)CCCNC(=O)N1CC(F)C1 ZINC000345435303 354668040 /nfs/dbraw/zinc/66/80/40/354668040.db2.gz XNFOPPHEFGWRJX-UHFFFAOYSA-N 0 3 247.314 0.318 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000345442544 354669561 /nfs/dbraw/zinc/66/95/61/354669561.db2.gz CHLOZKZWGJMOGK-TUAOUCFPSA-N 0 3 240.347 0.556 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000345442542 354670001 /nfs/dbraw/zinc/67/00/01/354670001.db2.gz CHLOZKZWGJMOGK-SDDRHHMPSA-N 0 3 240.347 0.556 20 0 BCADHN CCCCN(C)CCNC(=O)[C@H](C)O ZINC000345526561 354672802 /nfs/dbraw/zinc/67/28/02/354672802.db2.gz ULSCGZSCKFEQRJ-VIFPVBQESA-N 0 3 202.298 0.215 20 0 BCADHN Cc1nnsc1CNC[C@H]1CC[C@@H](CO)O1 ZINC000639205875 354673856 /nfs/dbraw/zinc/67/38/56/354673856.db2.gz KPTSUGLOMRTKRP-BDAKNGLRSA-N 0 3 243.332 0.476 20 0 BCADHN CCOCC(C)(C)NCc1cnc(N)nc1N ZINC000639205963 354674066 /nfs/dbraw/zinc/67/40/66/354674066.db2.gz NNGNDIJRFIMFNX-UHFFFAOYSA-N 0 3 239.323 0.206 20 0 BCADHN CN(C)CCNC(=O)c1c2ccccc2nn1C ZINC000345500521 354681392 /nfs/dbraw/zinc/68/13/92/354681392.db2.gz DCWXVRZWCIVREK-UHFFFAOYSA-N 0 3 246.314 0.865 20 0 BCADHN COCCN(C)CCNC(=O)CC1(C)CC1 ZINC000345735441 354747485 /nfs/dbraw/zinc/74/74/85/354747485.db2.gz BSIYIQBJVRDJRQ-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@@H]1[C@H](NC(=O)N(C)CCO)CCCN1C ZINC000345734957 354747681 /nfs/dbraw/zinc/74/76/81/354747681.db2.gz CQIOUHUZAWFOBK-NXEZZACHSA-N 0 3 229.324 0.103 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@H](N)CC(F)F ZINC000345750966 354751375 /nfs/dbraw/zinc/75/13/75/354751375.db2.gz BTJJJULUCPSGHR-RNJXMRFFSA-N 0 3 238.278 0.492 20 0 BCADHN C[C@H]1[C@@H](NC(=O)N2CC(F)C2)CCCN1C ZINC000345751758 354752237 /nfs/dbraw/zinc/75/22/37/354752237.db2.gz PABAYVDJDPGNKY-WPRPVWTQSA-N 0 3 229.299 0.832 20 0 BCADHN Cc1ncc(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)[nH]1 ZINC000335122472 354761815 /nfs/dbraw/zinc/76/18/15/354761815.db2.gz FMDSOAKMLSYELW-DTWKUNHWSA-N 0 3 236.319 0.883 20 0 BCADHN CCNC(=O)CNC1(CO)Cc2ccccc2C1 ZINC000345792453 354769798 /nfs/dbraw/zinc/76/97/98/354769798.db2.gz DDLFQVZVBOIBEE-UHFFFAOYSA-N 0 3 248.326 0.242 20 0 BCADHN C[C@H](O)CCNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345760638 354778275 /nfs/dbraw/zinc/77/82/75/354778275.db2.gz UYRUIVPCVLEKJD-GARJFASQSA-N 0 3 243.351 0.539 20 0 BCADHN CNC(=O)[C@H]1CCC[C@H]1NCc1cnn(C)c1 ZINC000345820381 354788518 /nfs/dbraw/zinc/78/85/18/354788518.db2.gz CNFNYNXTALITCG-WDEREUQCSA-N 0 3 236.319 0.424 20 0 BCADHN C[C@H]1C[C@H](C(=O)NCCN(C)C)CCO1 ZINC000345657525 354738633 /nfs/dbraw/zinc/73/86/33/354738633.db2.gz OQTNTGOXOQJDQF-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@@H]1[C@@H](C)CCCN1C(=O)C(=O)N(C)CCN ZINC000335138607 354790054 /nfs/dbraw/zinc/79/00/54/354790054.db2.gz RKDLRMGSTAAWBD-VHSXEESVSA-N 0 3 241.335 0.051 20 0 BCADHN CCCN(CCC)CC(=O)NC(N)=O ZINC000232687294 363380042 /nfs/dbraw/zinc/38/00/42/363380042.db2.gz GUGJLUKRJPILHA-UHFFFAOYSA-N 0 3 201.270 0.303 20 0 BCADHN C[C@H](O)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000345936000 354813607 /nfs/dbraw/zinc/81/36/07/354813607.db2.gz SVGWHYXZUIYVOD-AXFHLTTASA-N 0 3 226.320 0.310 20 0 BCADHN CCO[C@H](C)C(=O)NCCOCCN(C)C ZINC000345949375 354817394 /nfs/dbraw/zinc/81/73/94/354817394.db2.gz FLTJSANLAQIUSE-SNVBAGLBSA-N 0 3 232.324 0.106 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)C(=O)OC)N(CC)CC ZINC000345956534 354819969 /nfs/dbraw/zinc/81/99/69/354819969.db2.gz KKAZWWFOKDWEOJ-VHSXEESVSA-N 0 3 244.335 0.785 20 0 BCADHN C[C@]1(CCCO)CCCN1CC(=O)N1CCC1 ZINC000345954774 354820019 /nfs/dbraw/zinc/82/00/19/354820019.db2.gz RPUBDBIJDBMNNT-CYBMUJFWSA-N 0 3 240.347 0.846 20 0 BCADHN CCNC(=O)CN[C@H]1C[C@H](OC)C1(C)C ZINC000233485801 363403533 /nfs/dbraw/zinc/40/35/33/363403533.db2.gz RCAQEQQBHFXTQI-IUCAKERBSA-N 0 3 214.309 0.526 20 0 BCADHN CC(=O)N[C@H]1CCCN(CC2(C)COC2)C1 ZINC000345879236 354794968 /nfs/dbraw/zinc/79/49/68/354794968.db2.gz DFTFPHOJILENBC-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000346141776 354870964 /nfs/dbraw/zinc/87/09/64/354870964.db2.gz RJYATBBAACWZIA-RYUDHWBXSA-N 0 3 241.379 0.927 20 0 BCADHN CN(C)C(=O)CN[C@H]1CCO[C@H]1C1CC1 ZINC000234210803 363416986 /nfs/dbraw/zinc/41/69/86/363416986.db2.gz RNSRMZHPGGMJAV-ONGXEEELSA-N 0 3 212.293 0.232 20 0 BCADHN Cn1c2ccc(CN[C@H]3C[C@@H](O)C3)cc2oc1=O ZINC000449749538 202020687 /nfs/dbraw/zinc/02/06/87/202020687.db2.gz GFQAGTRAZYXTMK-AOOOYVTPSA-N 0 3 248.282 0.744 20 0 BCADHN Cc1cc(CN2C[C@H]3CCN(C)[C@H]3C2)n(C)n1 ZINC000335142065 354848109 /nfs/dbraw/zinc/84/81/09/354848109.db2.gz PKEZYAHXGMKESU-YPMHNXCESA-N 0 3 234.347 0.864 20 0 BCADHN C[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)N(C)C ZINC000335146794 354859157 /nfs/dbraw/zinc/85/91/57/354859157.db2.gz OMYMBMXXNHXLQS-JQWIXIFHSA-N 0 3 243.351 0.493 20 0 BCADHN CSC1(C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000346264589 354885197 /nfs/dbraw/zinc/88/51/97/354885197.db2.gz NYGJTOBHKZOOML-QMMMGPOBSA-N 0 3 216.350 0.948 20 0 BCADHN CC[C@H](C)[C@H](CN1CCOC[C@@H](O)C1)OC ZINC000639221561 354892927 /nfs/dbraw/zinc/89/29/27/354892927.db2.gz FPQXFKADVDUFBG-SRVKXCTJSA-N 0 3 231.336 0.741 20 0 BCADHN Cc1nn(C)cc1CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000346324165 354896886 /nfs/dbraw/zinc/89/68/86/354896886.db2.gz VXWRMBUAJYKIJT-WCFLWFBJSA-N 0 3 235.331 0.931 20 0 BCADHN COC(CN[C@H]1CCO[C@H]1C1CC1)OC ZINC000234604130 363426435 /nfs/dbraw/zinc/42/64/35/363426435.db2.gz MSBKVUXTMXTSEC-ONGXEEELSA-N 0 3 215.293 0.762 20 0 BCADHN CO[C@@H]1CN(C[C@@H](O)C(C)C)C[C@@H]1OC ZINC000234805360 363431417 /nfs/dbraw/zinc/43/14/17/363431417.db2.gz XHOCAZPNKZPICA-MXWKQRLJSA-N 0 3 217.309 0.349 20 0 BCADHN COC[C@@H](C)OC[C@H](O)CN(C)C1CC1 ZINC000234820949 363433207 /nfs/dbraw/zinc/43/32/07/363433207.db2.gz PBYCUQHYZLFFCB-MWLCHTKSSA-N 0 3 217.309 0.493 20 0 BCADHN O[C@@H]1COCCN(CC2CCSCC2)C1 ZINC000639223276 354933861 /nfs/dbraw/zinc/93/38/61/354933861.db2.gz QQNVPQGIKKQCBN-NSHDSACASA-N 0 3 231.361 0.823 20 0 BCADHN CCN(CCCCO)CC(=O)N(C)C ZINC000590622394 491069744 /nfs/dbraw/zinc/06/97/44/491069744.db2.gz HNCIKUOKISBNBZ-UHFFFAOYSA-N 0 3 202.298 0.169 20 0 BCADHN C[C@@H]1C[C@H](O)CN1CCOCC(F)F ZINC000346444824 354940408 /nfs/dbraw/zinc/94/04/08/354940408.db2.gz LPTCRBWYKSLMMC-SFYZADRCSA-N 0 3 209.236 0.723 20 0 BCADHN CC[C@@H]1CN(CCOCC(F)F)C[C@H]1O ZINC000346498894 354961079 /nfs/dbraw/zinc/96/10/79/354961079.db2.gz NOQQHQMOSQMJOE-RKDXNWHRSA-N 0 3 223.263 0.971 20 0 BCADHN COC(C)(C)CCN(C)[C@@H]1CCNC1=O ZINC000346515494 354955901 /nfs/dbraw/zinc/95/59/01/354955901.db2.gz YAVJLVLLRGMBFC-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H]1CN(CCOCC(F)F)CC[C@@H]1O ZINC000346587605 355002309 /nfs/dbraw/zinc/00/23/09/355002309.db2.gz ZZWCCFPQMVRHDZ-IUCAKERBSA-N 0 3 223.263 0.971 20 0 BCADHN CN(CCOCC(F)F)[C@]1(CO)CCOC1 ZINC000346513671 354964069 /nfs/dbraw/zinc/96/40/69/354964069.db2.gz APWSYTSODRSYRJ-JTQLQIEISA-N 0 3 239.262 0.351 20 0 BCADHN C[C@@H]1CN(CCOCC(F)F)C[C@H]1O ZINC000346556558 354967486 /nfs/dbraw/zinc/96/74/86/354967486.db2.gz IIFLYCIQEHBFIQ-HTQZYQBOSA-N 0 3 209.236 0.581 20 0 BCADHN Cc1nnsc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000379441587 358493137 /nfs/dbraw/zinc/49/31/37/358493137.db2.gz SFHLXEQFZSUSLT-SVRRBLITSA-N 0 3 240.332 0.669 20 0 BCADHN OC[C@H]1CSCCN1CC[C@@H]1CCCO1 ZINC000346527613 354976801 /nfs/dbraw/zinc/97/68/01/354976801.db2.gz BBDMWMMPYSLZGQ-QWRGUYRKSA-N 0 3 231.361 0.965 20 0 BCADHN CN(CCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC000346550847 354984897 /nfs/dbraw/zinc/98/48/97/354984897.db2.gz RTFBIKUQDWPLLJ-LLVKDONJSA-N 0 3 225.336 0.291 20 0 BCADHN C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCO1 ZINC000346624143 354996653 /nfs/dbraw/zinc/99/66/53/354996653.db2.gz DHAYXIMGHIMMDP-JBLDHEPKSA-N 0 3 238.331 0.907 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000335202478 355037064 /nfs/dbraw/zinc/03/70/64/355037064.db2.gz CDUYJOLSLDYGJI-RYUDHWBXSA-N 0 3 241.379 0.878 20 0 BCADHN CN1CC[C@@H](N2CC[C@](O)(C3CC3)C2)C1=O ZINC000335209386 355046114 /nfs/dbraw/zinc/04/61/14/355046114.db2.gz FGQQMUVJEJULEJ-ZYHUDNBSSA-N 0 3 224.304 0.064 20 0 BCADHN CCOCCOCCN(C)CCC(=O)N(C)C ZINC000346659988 355004940 /nfs/dbraw/zinc/00/49/40/355004940.db2.gz RXGCPVXYEBHZJN-UHFFFAOYSA-N 0 3 246.351 0.450 20 0 BCADHN COC(=O)[C@@H]1CCN([C@H](C)C(=O)N(C)C)[C@H]1C ZINC000346662131 355005489 /nfs/dbraw/zinc/00/54/89/355005489.db2.gz WFFROSKRVSCFNR-IVZWLZJFSA-N 0 3 242.319 0.347 20 0 BCADHN COCCOCCN1CC[C@H](C(=O)OC)[C@@H]1C ZINC000346668589 355007575 /nfs/dbraw/zinc/00/75/75/355007575.db2.gz UNDSIWGOSFZGTN-QWRGUYRKSA-N 0 3 245.319 0.533 20 0 BCADHN COC(=O)CCCN1CC[C@@H](C(=O)OC)[C@H]1C ZINC000346674529 355008206 /nfs/dbraw/zinc/00/82/06/355008206.db2.gz WZRJZCFRLJGEFH-NXEZZACHSA-N 0 3 243.303 0.823 20 0 BCADHN CCOC(=O)CCN1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000346684382 355011969 /nfs/dbraw/zinc/01/19/69/355011969.db2.gz POBOKZKBTJNVBO-VHSXEESVSA-N 0 3 243.303 0.823 20 0 BCADHN COC(=O)[C@H]1CCN(Cc2cnn(C)c2)[C@@H]1C ZINC000346686191 355012876 /nfs/dbraw/zinc/01/28/76/355012876.db2.gz JJPUODCNYKDGIW-KOLCDFICSA-N 0 3 237.303 0.804 20 0 BCADHN CC(C)N(C)CC(=O)N1CCCOCC1 ZINC000335962023 134027146 /nfs/dbraw/zinc/02/71/46/134027146.db2.gz BHQNNVGQNQHVAM-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC000412835637 191318044 /nfs/dbraw/zinc/31/80/44/191318044.db2.gz HVWUDXRQXDGJTE-QWRGUYRKSA-N 0 3 236.319 0.655 20 0 BCADHN COC(=O)[C@@H]1CCN([C@H]2CCN(C)C2=O)[C@H]1C ZINC000346691311 355074823 /nfs/dbraw/zinc/07/48/23/355074823.db2.gz VVJHYFYRDIAZIT-AEJSXWLSSA-N 0 3 240.303 0.101 20 0 BCADHN CC[C@@](C)(CNCc1cnc(N)nc1N)OC ZINC000639227087 355055631 /nfs/dbraw/zinc/05/56/31/355055631.db2.gz KWGUCAYPEAQOKZ-NSHDSACASA-N 0 3 239.323 0.206 20 0 BCADHN CCN(CC)CC(=O)NC(=O)NCC(C)C ZINC000346697376 355064324 /nfs/dbraw/zinc/06/43/24/355064324.db2.gz CNCRNUSYRBZISX-UHFFFAOYSA-N 0 3 229.324 0.810 20 0 BCADHN CCN1CC[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000412850140 191320730 /nfs/dbraw/zinc/32/07/30/191320730.db2.gz UNCXWZRIOVWTJF-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN COCC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000346733244 355089573 /nfs/dbraw/zinc/08/95/73/355089573.db2.gz UPJJCAUVORKYGT-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN CC[C@@H]1C[C@H]1CNCc1cnc(N)nc1N ZINC000639227879 355093008 /nfs/dbraw/zinc/09/30/08/355093008.db2.gz FRKZQKNFNXOZLT-SFYZADRCSA-N 0 3 221.308 0.437 20 0 BCADHN C[C@@H](O)[C@H]1CCN(CC(=O)N(C)C2CC2)C1 ZINC000166074279 355097833 /nfs/dbraw/zinc/09/78/33/355097833.db2.gz YJUHLDOSWOUNME-ZJUUUORDSA-N 0 3 226.320 0.310 20 0 BCADHN CN(C(=O)C1(O)CCCC1)C1CCN(C)CC1 ZINC000335245058 355159852 /nfs/dbraw/zinc/15/98/52/355159852.db2.gz BKESEKMUBHNVIP-UHFFFAOYSA-N 0 3 240.347 0.844 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)CO ZINC000346848257 355136641 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/nfs/dbraw/zinc/66/49/29/355664929.db2.gz VEPCQQBBMFBEDL-UHFFFAOYSA-N 0 3 223.324 0.291 20 0 BCADHN CC[C@@](C)(CNCc1nc(COC)n[nH]1)OC ZINC000639309451 355665539 /nfs/dbraw/zinc/66/55/39/355665539.db2.gz AVRXSWPWCXVJOG-NSHDSACASA-N 0 3 242.323 0.856 20 0 BCADHN CC(C)n1ncnc1CN(C)CC1CN(C)C1 ZINC000639309311 355665782 /nfs/dbraw/zinc/66/57/82/355665782.db2.gz KBBBGHAMESRPHV-UHFFFAOYSA-N 0 3 237.351 0.852 20 0 BCADHN Cc1nnsc1CN(C)CC1CN(C)C1 ZINC000639310166 355666588 /nfs/dbraw/zinc/66/65/88/355666588.db2.gz RVAFYAFBLDMVJM-UHFFFAOYSA-N 0 3 226.349 0.840 20 0 BCADHN CCC[C@H](CN1CCN2C[C@H](O)C[C@H]2C1)OC ZINC000639299624 355629328 /nfs/dbraw/zinc/62/93/28/355629328.db2.gz UDECJPKLNFFYSL-YNEHKIRRSA-N 0 3 242.363 0.552 20 0 BCADHN CN(C)CCNC(=O)c1nc2c(s1)CCC2 ZINC000416122816 191721432 /nfs/dbraw/zinc/72/14/32/191721432.db2.gz OWISEDAIBKINPF-UHFFFAOYSA-N 0 3 239.344 0.923 20 0 BCADHN C[C@H]1NCCN(C(=O)Cn2ccccc2=O)[C@H]1C ZINC000335894693 355689309 /nfs/dbraw/zinc/68/93/09/355689309.db2.gz 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0.828 20 0 BCADHN CN(Cc1ccc(=O)[nH]c1)C[C@H]1COCCO1 ZINC000639316323 355708270 /nfs/dbraw/zinc/70/82/70/355708270.db2.gz XBXIOEOKBKXSQE-NSHDSACASA-N 0 3 238.287 0.634 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H](O)C1)N(CC)CC ZINC000350513365 355715053 /nfs/dbraw/zinc/71/50/53/355715053.db2.gz PDERZPOPQBZDGI-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@@H](C)[C@@H]1CO ZINC000336000293 134046942 /nfs/dbraw/zinc/04/69/42/134046942.db2.gz MKUJPRRTTOACRD-SKDRFNHKSA-N 0 3 223.320 0.931 20 0 BCADHN C[C@H](O)CN1CCC(c2c[nH]cn2)CC1 ZINC000335886880 355678140 /nfs/dbraw/zinc/67/81/40/355678140.db2.gz RFXZTXZANFBKMW-VIFPVBQESA-N 0 3 209.293 0.970 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H](O)C1 ZINC000350635096 355735866 /nfs/dbraw/zinc/73/58/66/355735866.db2.gz YODMWZWKMJINLH-AXFHLTTASA-N 0 3 226.320 0.452 20 0 BCADHN CC[C@@H](C(=O)N1Cc2cnn(C)c2C1)N(C)C ZINC000623247477 355772771 /nfs/dbraw/zinc/77/27/71/355772771.db2.gz DPLFHZUORIZMDF-JTQLQIEISA-N 0 3 236.319 0.603 20 0 BCADHN CO[C@](C)(CN1CCc2n[nH]nc2C1)C1CC1 ZINC000639332915 355759536 /nfs/dbraw/zinc/75/95/36/355759536.db2.gz RCDDWRRLGKJEMA-GFCCVEGCSA-N 0 3 236.319 0.978 20 0 BCADHN CCC[C@H](CN1CCN(C)C[C@@H]1CO)OC ZINC000639333227 355762337 /nfs/dbraw/zinc/76/23/37/355762337.db2.gz GAJFCBGDTFBGTO-VXGBXAGGSA-N 0 3 230.352 0.410 20 0 BCADHN C(C[C@@H]1CCO1)CN1CCc2nn[nH]c2C1 ZINC000639333664 355764445 /nfs/dbraw/zinc/76/44/45/355764445.db2.gz ZGZYPMPKOZQAHP-SECBINFHSA-N 0 3 222.292 0.732 20 0 BCADHN C(C[C@@H]1CCO1)CN1CCc2n[nH]nc2C1 ZINC000639333664 355764450 /nfs/dbraw/zinc/76/44/50/355764450.db2.gz ZGZYPMPKOZQAHP-SECBINFHSA-N 0 3 222.292 0.732 20 0 BCADHN CO[C@@H](CC(C)C)CN1CCN(C)C[C@H]1CO ZINC000639334039 355764598 /nfs/dbraw/zinc/76/45/98/355764598.db2.gz ORUSVDISHJMSEI-STQMWFEESA-N 0 3 244.379 0.656 20 0 BCADHN CN1CCN(CC2CCSCC2)[C@H](CO)C1 ZINC000639334715 355765264 /nfs/dbraw/zinc/76/52/64/355765264.db2.gz VARUGMRJEFDRPV-LBPRGKRZSA-N 0 3 244.404 0.738 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@H](N)C1CCC1 ZINC000399156137 355770147 /nfs/dbraw/zinc/77/01/47/355770147.db2.gz DDTSSQZXICKEDX-WCBMZHEXSA-N 0 3 214.309 0.343 20 0 BCADHN CC[C@H](C)[C@H](CN[C@H]1CCNC1=O)OC ZINC000639336341 355771070 /nfs/dbraw/zinc/77/10/70/355771070.db2.gz BQEXMSYVQFZSEH-GUBZILKMSA-N 0 3 214.309 0.526 20 0 BCADHN CO[C@H](CN[C@H]1CCNC1=O)CC(C)C ZINC000639338018 355777636 /nfs/dbraw/zinc/77/76/36/355777636.db2.gz QZRYFZKDYATAEP-UWVGGRQHSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@@H]1C[C@H](CN2CCN(C)C[C@@H]2CO)CCO1 ZINC000639338378 355779144 /nfs/dbraw/zinc/77/91/44/355779144.db2.gz ZHGXCNKCRQAHNS-JHJVBQTASA-N 0 3 242.363 0.410 20 0 BCADHN CO[C@H](CN[C@H]1CCNC1=O)Cc1ccccc1 ZINC000639338306 355780012 /nfs/dbraw/zinc/78/00/12/355780012.db2.gz TUAVROCRNSQVII-STQMWFEESA-N 0 3 248.326 0.722 20 0 BCADHN C[C@@H](NCc1cn[nH]n1)[C@@H]1CCCCO1 ZINC000639339736 355781159 /nfs/dbraw/zinc/78/11/59/355781159.db2.gz AVNNNBWXZQXQLW-SCZZXKLOSA-N 0 3 210.281 0.852 20 0 BCADHN C[C@@H](NCc1c[nH]nn1)[C@@H]1CCCCO1 ZINC000639339736 355781163 /nfs/dbraw/zinc/78/11/63/355781163.db2.gz AVNNNBWXZQXQLW-SCZZXKLOSA-N 0 3 210.281 0.852 20 0 BCADHN CO[C@@H](CNCc1cn[nH]n1)C1CCOCC1 ZINC000639339761 355781303 /nfs/dbraw/zinc/78/13/03/355781303.db2.gz AXZXFYYEWVJXLD-NSHDSACASA-N 0 3 240.307 0.336 20 0 BCADHN CO[C@@H](CNCc1c[nH]nn1)C1CCOCC1 ZINC000639339761 355781308 /nfs/dbraw/zinc/78/13/08/355781308.db2.gz AXZXFYYEWVJXLD-NSHDSACASA-N 0 3 240.307 0.336 20 0 BCADHN CO[C@H](CNCc1cn[nH]n1)CC(C)C ZINC000639341863 355783617 /nfs/dbraw/zinc/78/36/17/355783617.db2.gz PBRNPKRXROHKOZ-JTQLQIEISA-N 0 3 212.297 0.955 20 0 BCADHN CO[C@H](CNCc1c[nH]nn1)CC(C)C ZINC000639341863 355783619 /nfs/dbraw/zinc/78/36/19/355783619.db2.gz PBRNPKRXROHKOZ-JTQLQIEISA-N 0 3 212.297 0.955 20 0 BCADHN CO[C@@](C)(CNCc1cn[nH]n1)C1CC1 ZINC000639342546 355784953 /nfs/dbraw/zinc/78/49/53/355784953.db2.gz XWFHJSGRYUTQBG-JTQLQIEISA-N 0 3 210.281 0.709 20 0 BCADHN C[C@H]([C@@H]1CC1(F)F)N(CCO)CCO ZINC000639343906 355787499 /nfs/dbraw/zinc/78/74/99/355787499.db2.gz OWXYIWNARARSIO-SFYZADRCSA-N 0 3 209.236 0.317 20 0 BCADHN Cc1cc(CN[C@H]2C[C@H](C(N)=O)C2)sn1 ZINC000639347449 355793832 /nfs/dbraw/zinc/79/38/32/355793832.db2.gz NIRSWCUIEYBUJX-ZKCHVHJHSA-N 0 3 225.317 0.805 20 0 BCADHN C[C@H]1[C@@H](Nc2ccnc(C(N)=O)c2)CCCN1C ZINC000350828881 355803997 /nfs/dbraw/zinc/80/39/97/355803997.db2.gz XQGYGVXEAFMNBS-ONGXEEELSA-N 0 3 248.330 0.497 20 0 BCADHN CN(C)CCNC(=O)c1cccc(CO)c1 ZINC000350829215 355804133 /nfs/dbraw/zinc/80/41/33/355804133.db2.gz INSYGUHAUPQAAS-UHFFFAOYSA-N 0 3 222.288 0.470 20 0 BCADHN CC[C@@H](C)[C@H](CN[C@@H]1COC[C@@H]1O)OC ZINC000639363355 355821471 /nfs/dbraw/zinc/82/14/71/355821471.db2.gz OQZMBPCXZBXJTB-ZNSHCXBVSA-N 0 3 217.309 0.397 20 0 BCADHN N[C@@H](C(=O)NCc1ccno1)C1CCC1 ZINC000399020630 355821620 /nfs/dbraw/zinc/82/16/20/355821620.db2.gz HWOOEZMHQMCMNF-SECBINFHSA-N 0 3 209.249 0.418 20 0 BCADHN C[C@@H](N[C@@H]1COC[C@@H]1O)[C@@H]1CC1(F)F ZINC000639363477 355822655 /nfs/dbraw/zinc/82/26/55/355822655.db2.gz QAPAAKHBROQBQN-CWKFCGSDSA-N 0 3 207.220 0.379 20 0 BCADHN C[C@@H](CO)CN(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000608498590 355826991 /nfs/dbraw/zinc/82/69/91/355826991.db2.gz WIGWFWFRDSXKGJ-ZJUUUORDSA-N 0 3 230.352 0.850 20 0 BCADHN CO[C@H](CN[C@@H]1COC[C@@H]1O)C1CCCC1 ZINC000639364333 355834409 /nfs/dbraw/zinc/83/44/09/355834409.db2.gz WDPSHPGFPGOMKY-GRYCIOLGSA-N 0 3 229.320 0.541 20 0 BCADHN NC(=O)C1(NCCCC2CCOCC2)CC1 ZINC000336688270 181213976 /nfs/dbraw/zinc/21/39/76/181213976.db2.gz VACCOCHAPOBOKL-UHFFFAOYSA-N 0 3 226.320 0.801 20 0 BCADHN CN(CC(F)F)C(=O)NC[C@H]1CCCN1C ZINC000352088348 134061314 /nfs/dbraw/zinc/06/13/14/134061314.db2.gz YUHOCCMSCVKVSW-MRVPVSSYSA-N 0 3 235.278 0.987 20 0 BCADHN COc1ccc(CNC[C@@H](O)C2CC2)cn1 ZINC000166804745 355849418 /nfs/dbraw/zinc/84/94/18/355849418.db2.gz DAIRGEDSKBJGPN-LLVKDONJSA-N 0 3 222.288 0.951 20 0 BCADHN CCCC[C@@H](COC)N(CCO)CCO ZINC000628369784 355877788 /nfs/dbraw/zinc/87/77/88/355877788.db2.gz ASRKRNVCNHWOMZ-NSHDSACASA-N 0 3 219.325 0.478 20 0 BCADHN C[C@H](C[C@@H]1CCCC(=O)N1)NCc1ncc[nH]1 ZINC000639371928 355872077 /nfs/dbraw/zinc/87/20/77/355872077.db2.gz NHMLJELZTVPZBQ-ZJUUUORDSA-N 0 3 236.319 0.947 20 0 BCADHN NC(=O)C1CCN(Cc2ccco2)CC1 ZINC000158624580 181218134 /nfs/dbraw/zinc/21/81/34/181218134.db2.gz BGAVUFJCTHOVGW-UHFFFAOYSA-N 0 3 208.261 0.977 20 0 BCADHN Nc1ncc(CN[C@@]23C[C@@H]2CCCC3)c(N)n1 ZINC000639379240 355914827 /nfs/dbraw/zinc/91/48/27/355914827.db2.gz GCOOWPZQVNHFLT-CABZTGNLSA-N 0 3 233.319 0.724 20 0 BCADHN NC(=O)CC1CCN(CCn2cccn2)CC1 ZINC000064142041 181219173 /nfs/dbraw/zinc/21/91/73/181219173.db2.gz OLFQGRNEMYRBLZ-UHFFFAOYSA-N 0 3 236.319 0.471 20 0 BCADHN CC1(NC[C@H]2CNc3ccnn3C2)COC1 ZINC000639382099 355926292 /nfs/dbraw/zinc/92/62/92/355926292.db2.gz LYXNKQBNMWEMNF-SECBINFHSA-N 0 3 222.292 0.303 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2ccnn2C)C1 ZINC000608613699 355883549 /nfs/dbraw/zinc/88/35/49/355883549.db2.gz DXVDPAKFRMWFOJ-JTQLQIEISA-N 0 3 236.319 0.492 20 0 BCADHN O[C@@H](CNCC1(F)CC1)[C@@H]1CCOC1 ZINC000389215390 355884509 /nfs/dbraw/zinc/88/45/09/355884509.db2.gz KEICZZSWHKBXNA-BDAKNGLRSA-N 0 3 203.257 0.476 20 0 BCADHN C[C@H]1C[C@@H](C(=O)N2CCCO2)CCN1C ZINC000336048926 134064245 /nfs/dbraw/zinc/06/42/45/134064245.db2.gz IZQXBSIKLKPJFN-UWVGGRQHSA-N 0 3 212.293 0.881 20 0 BCADHN CCCOCC(=O)NC[C@@](C)(O)CCN(C)C ZINC000352111580 134068387 /nfs/dbraw/zinc/06/83/87/134068387.db2.gz LWMQYNNUCLVZDS-LBPRGKRZSA-N 0 3 246.351 0.232 20 0 BCADHN CNC(=O)C[C@H](C)NCc1c(C)n[nH]c1C ZINC000167221407 355979221 /nfs/dbraw/zinc/97/92/21/355979221.db2.gz LOLZSSRVDNLSRA-ZETCQYMHSA-N 0 3 224.308 0.641 20 0 BCADHN C[C@@H]1C[C@@H]1CN(C)CC(=O)N1CCOCC1 ZINC000351329979 355980394 /nfs/dbraw/zinc/98/03/94/355980394.db2.gz PMLOUERZSDIYSC-GHMZBOCLSA-N 0 3 226.320 0.433 20 0 BCADHN C[C@@H]1CN(c2ncnc3n[nH]cc32)[C@@H](C)CN1C ZINC000351507938 356005903 /nfs/dbraw/zinc/00/59/03/356005903.db2.gz DNGCORQFVIRTON-BDAKNGLRSA-N 0 3 246.318 0.882 20 0 BCADHN CCOCCCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000167379802 355986903 /nfs/dbraw/zinc/98/69/03/355986903.db2.gz GGWCOQYTNWGSPT-GHMZBOCLSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)Nc2ccn(C)n2)C1 ZINC000167407488 355992050 /nfs/dbraw/zinc/99/20/50/355992050.db2.gz VZBFOVLYRXZMPR-BDAKNGLRSA-N 0 3 222.292 0.747 20 0 BCADHN CC(C)[C@](C)(O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000336064495 134070122 /nfs/dbraw/zinc/07/01/22/134070122.db2.gz YBQSZWDODRFRHP-YPMHNXCESA-N 0 3 240.347 0.700 20 0 BCADHN CCN(C)C(=O)CN(CCO)[C@H]1CC[C@@H](C)C1 ZINC000351632632 356037412 /nfs/dbraw/zinc/03/74/12/356037412.db2.gz XMHBPLNGCJSAMY-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@H](c1ccccn1)N1CC[C@](O)(C(N)=O)C1 ZINC000351637585 356039145 /nfs/dbraw/zinc/03/91/45/356039145.db2.gz APOCQVBYBSSYGT-BXKDBHETSA-N 0 3 235.287 0.065 20 0 BCADHN CCCN(C)CC(=O)N[C@@](C)(CCO)COC ZINC000351648347 356044039 /nfs/dbraw/zinc/04/40/39/356044039.db2.gz GBKBZZOYIDQKMP-LBPRGKRZSA-N 0 3 246.351 0.232 20 0 BCADHN CCCN1CCC(CNS(=O)(=O)NC)CC1 ZINC000351659011 356047591 /nfs/dbraw/zinc/04/75/91/356047591.db2.gz NVRURDDNADJSJE-UHFFFAOYSA-N 0 3 249.380 0.162 20 0 BCADHN CCN1CCC[C@@H](CNC(=O)C2CC(=O)C2)C1 ZINC000351664299 356049402 /nfs/dbraw/zinc/04/94/02/356049402.db2.gz HAOCCEBMLXIJHL-JTQLQIEISA-N 0 3 238.331 0.814 20 0 BCADHN NC(=O)CCNCc1ccc2c(c1)OCO2 ZINC000035133470 181225915 /nfs/dbraw/zinc/22/59/15/181225915.db2.gz AICASQTYEHHANX-UHFFFAOYSA-N 0 3 222.244 0.380 20 0 BCADHN CNS(=O)(=O)NCCCN1CCCC[C@@H]1C ZINC000351699840 356062322 /nfs/dbraw/zinc/06/23/22/356062322.db2.gz FXTOPYZZSQTQCU-JTQLQIEISA-N 0 3 249.380 0.305 20 0 BCADHN C[C@H](NC[C@H](O)CN(C)C1CC1)c1ccon1 ZINC000351611539 356027018 /nfs/dbraw/zinc/02/70/18/356027018.db2.gz REDUIRYMRVMREZ-ONGXEEELSA-N 0 3 239.319 0.780 20 0 BCADHN Cc1noc(CCCN2CCc3n[nH]nc3C2)n1 ZINC000351613529 356028574 /nfs/dbraw/zinc/02/85/74/356028574.db2.gz AUQVAGUKABDYJO-UHFFFAOYSA-N 0 3 248.290 0.487 20 0 BCADHN COC1CCN(CCN2CCO[C@@H](C)C2)CC1 ZINC000351616912 356030006 /nfs/dbraw/zinc/03/00/06/356030006.db2.gz BKFYPMFCVPCYDZ-LBPRGKRZSA-N 0 3 242.363 0.818 20 0 BCADHN CCN(C(=O)[C@H](O)C(C)C)[C@H]1CCN(C)C1 ZINC000617551233 356106444 /nfs/dbraw/zinc/10/64/44/356106444.db2.gz NSCGCKYHSODLBO-WDEREUQCSA-N 0 3 228.336 0.556 20 0 BCADHN CCN(C(=O)c1ccnnc1C)[C@@H]1CCN(C)C1 ZINC000617554060 356110301 /nfs/dbraw/zinc/11/03/01/356110301.db2.gz WDZYAHQJIIHGBW-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN CCN(C(=O)c1c[nH]cn1)[C@H]1CCN(C)C1 ZINC000617554380 356110364 /nfs/dbraw/zinc/11/03/64/356110364.db2.gz APNDQXGIVDCCGY-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN CCN(C(=O)c1cnc[nH]1)[C@H]1CCN(C)C1 ZINC000617554380 356110369 /nfs/dbraw/zinc/11/03/69/356110369.db2.gz APNDQXGIVDCCGY-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN CCN(C(=O)[C@H]1CCCOC1)[C@@H]1CCN(C)C1 ZINC000617556540 356113213 /nfs/dbraw/zinc/11/32/13/356113213.db2.gz SILFFRANLITUDA-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(C(=O)COCC1CC1)[C@@H]1CCN(C)C1 ZINC000617557378 356115818 /nfs/dbraw/zinc/11/58/18/356115818.db2.gz KFFVXVYPIWOVCK-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000617557976 356116339 /nfs/dbraw/zinc/11/63/39/356116339.db2.gz XOSYBLGDQBXRGL-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(C(=O)c1ccc[nH]c1=O)[C@@H]1CCN(C)C1 ZINC000617559037 356116348 /nfs/dbraw/zinc/11/63/48/356116348.db2.gz QTWMZILTMVEJKW-SNVBAGLBSA-N 0 3 249.314 0.953 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2ccn(C)n2)nn1 ZINC000395271817 356119100 /nfs/dbraw/zinc/11/91/00/356119100.db2.gz SNXAZEOIWJAYLT-LLVKDONJSA-N 0 3 234.307 0.644 20 0 BCADHN CN(Cc1ncnn1C)[C@H]1CN2CCC1CC2 ZINC000639393217 356067050 /nfs/dbraw/zinc/06/70/50/356067050.db2.gz UFHIILWPBSOYGF-NSHDSACASA-N 0 3 235.335 0.341 20 0 BCADHN C[C@@H](F)CCN(C)CCNC(=O)N(C)C ZINC000351734147 356074045 /nfs/dbraw/zinc/07/40/45/356074045.db2.gz GVFWXBFZTSMIPC-SECBINFHSA-N 0 3 219.304 0.938 20 0 BCADHN Cc1csc(=O)n1CCN1C[C@@H](C)[C@H](O)C1 ZINC000351806305 356088781 /nfs/dbraw/zinc/08/87/81/356088781.db2.gz DZPLMTIQGTVZHM-PSASIEDQSA-N 0 3 242.344 0.531 20 0 BCADHN OC[C@@H]1CSCCN1CCC[C@@H]1CCO1 ZINC000639396425 356099185 /nfs/dbraw/zinc/09/91/85/356099185.db2.gz GWYHVXJTJSNIHI-GHMZBOCLSA-N 0 3 231.361 0.965 20 0 BCADHN OC[C@H]1CSCCN1CCC[C@@H]1CCO1 ZINC000639396428 356099812 /nfs/dbraw/zinc/09/98/12/356099812.db2.gz GWYHVXJTJSNIHI-WDEREUQCSA-N 0 3 231.361 0.965 20 0 BCADHN CC[C@H](C)C(=O)NC[C@](C)(O)CCN(C)C ZINC000352120798 134074614 /nfs/dbraw/zinc/07/46/14/134074614.db2.gz LBFKVFVFAIAVMI-CMPLNLGQSA-N 0 3 230.352 0.851 20 0 BCADHN C[C@H]1CCN(CCS(=O)(=O)N(C)C)C1 ZINC000335915570 356155891 /nfs/dbraw/zinc/15/58/91/356155891.db2.gz POHYQRNKQXMKNJ-VIFPVBQESA-N 0 3 220.338 0.220 20 0 BCADHN C[C@@H](CNC(=O)N1C[C@@H](C)NC[C@H]1C)N(C)C ZINC000418248982 192006432 /nfs/dbraw/zinc/00/64/32/192006432.db2.gz FWDXHKAQXBUNSA-OUAUKWLOSA-N 0 3 242.367 0.328 20 0 BCADHN NC(=O)NC(=O)CCN1CC2(C1)CCCC2 ZINC000336548495 181253487 /nfs/dbraw/zinc/25/34/87/181253487.db2.gz LSFINHYMALJIQV-UHFFFAOYSA-N 0 3 225.292 0.447 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCC(S(N)(=O)=O)CC1 ZINC000336096108 134080008 /nfs/dbraw/zinc/08/00/08/134080008.db2.gz ITBQWICPHFTNTP-RKDXNWHRSA-N 0 3 232.349 0.395 20 0 BCADHN Cn1cc(CN2CC[C@@](O)(C3CC3)C2)cn1 ZINC000336096840 134080351 /nfs/dbraw/zinc/08/03/51/134080351.db2.gz VJPJJGAEJMCNSE-LBPRGKRZSA-N 0 3 221.304 0.767 20 0 BCADHN CCNC(=O)CN(CC)C[C@@H]1CCO[C@@H]1C ZINC000639439985 356216826 /nfs/dbraw/zinc/21/68/26/356216826.db2.gz ABUPVPMILQYUSU-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN OCC1CCN(C[C@H]2CCc3ncnn32)CC1 ZINC000639451018 356235828 /nfs/dbraw/zinc/23/58/28/356235828.db2.gz IDBHTNNYBFOFCE-LLVKDONJSA-N 0 3 236.319 0.470 20 0 BCADHN CC(C)NC(=O)CN(C)C[C@@H]1CCO[C@@H]1C ZINC000639444473 356222157 /nfs/dbraw/zinc/22/21/57/356222157.db2.gz DYRIAYLGJCVNKT-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN CC(C)NC(=O)CN(C)C[C@H]1CCO[C@H]1C ZINC000639444477 356222696 /nfs/dbraw/zinc/22/26/96/356222696.db2.gz DYRIAYLGJCVNKT-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN CCCCN(CC(N)=O)C[C@@H]1CCO[C@H]1C ZINC000639452401 356232971 /nfs/dbraw/zinc/23/29/71/356232971.db2.gz AZLQRMSTLZJNAF-QWRGUYRKSA-N 0 3 228.336 0.999 20 0 BCADHN Cc1n[nH]cc1C(=O)N(C)C1CCN(C)CC1 ZINC000067952808 324825618 /nfs/dbraw/zinc/82/56/18/324825618.db2.gz UUOAIIZCDBAVFD-UHFFFAOYSA-N 0 3 236.319 0.884 20 0 BCADHN CCc1nnc2ccc(N3CCN[C@H](C)C3)nn21 ZINC000420232202 192180866 /nfs/dbraw/zinc/18/08/66/192180866.db2.gz BLNOWEBFSIFIGO-SECBINFHSA-N 0 3 246.318 0.485 20 0 BCADHN NC(=O)N[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC000272221453 181260831 /nfs/dbraw/zinc/26/08/31/181260831.db2.gz AAHXRFASQMIVGB-GFCCVEGCSA-N 0 3 249.314 0.422 20 0 BCADHN CCn1cnc2c1ncnc2N1CCN[C@H](C)C1 ZINC000420234347 192181389 /nfs/dbraw/zinc/18/13/89/192181389.db2.gz HPVVVORBKCZSNH-SECBINFHSA-N 0 3 246.318 0.644 20 0 BCADHN CCN(CC(=O)N(C)C)C[C@@H]1CCO[C@H]1C ZINC000639449756 356233923 /nfs/dbraw/zinc/23/39/23/356233923.db2.gz AVFLLSKGWRDPPO-QWRGUYRKSA-N 0 3 228.336 0.822 20 0 BCADHN CC1(C)CN(CC2(O)CCC2)C[C@@H](CO)O1 ZINC000331908307 356205086 /nfs/dbraw/zinc/20/50/86/356205086.db2.gz FWZOFRZEOGQLCA-JTQLQIEISA-N 0 3 229.320 0.373 20 0 BCADHN C[C@@H]1CNCCN1c1ncnc2[nH]ccc21 ZINC000420219753 192193893 /nfs/dbraw/zinc/19/38/93/192193893.db2.gz SEFLQUFMFYGLBN-MRVPVSSYSA-N 0 3 217.276 0.756 20 0 BCADHN C[C@H]1CN(C[C@H]2CCc3ncnn32)CCCO1 ZINC000639472703 356262391 /nfs/dbraw/zinc/26/23/91/356262391.db2.gz RSHJUZCHGZDCKF-WDEREUQCSA-N 0 3 236.319 0.876 20 0 BCADHN [NH3+][C@@H]1CCC[C@@H](CN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000420268982 192183390 /nfs/dbraw/zinc/18/33/90/192183390.db2.gz AVZUENSNWQVVTL-RKDXNWHRSA-N 0 3 246.318 0.656 20 0 BCADHN C[C@H](O)CN1CCN(C[C@@H]2CCO[C@@H]2C)CC1 ZINC000639474864 356269770 /nfs/dbraw/zinc/26/97/70/356269770.db2.gz WFFGPHMUGGAKAG-XQQFMLRXSA-N 0 3 242.363 0.410 20 0 BCADHN CCN(CCO)C[C@@H]1CCc2ncnn21 ZINC000639475391 356269777 /nfs/dbraw/zinc/26/97/77/356269777.db2.gz WMHRSXQNAAFQAT-VIFPVBQESA-N 0 3 210.281 0.080 20 0 BCADHN C[C@H]1CN(c2nccnc2OC(F)F)CCN1 ZINC000420240906 192184426 /nfs/dbraw/zinc/18/44/26/192184426.db2.gz RUHCPAZSDUHIDP-ZETCQYMHSA-N 0 3 244.245 0.876 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NC/C=C/CO ZINC000617688999 356279666 /nfs/dbraw/zinc/27/96/66/356279666.db2.gz BJFLRHVOZKCDRK-PGLGOXFNSA-N 0 3 226.320 0.526 20 0 BCADHN C[C@@H](C(=O)NC/C=C\CO)N1CCCCCC1 ZINC000617688646 356279738 /nfs/dbraw/zinc/27/97/38/356279738.db2.gz XXNODGKBFCKFSV-KMSCOEIWSA-N 0 3 240.347 0.916 20 0 BCADHN CCNC(=O)CN(C)C[C@@H]1CCO[C@@H]1C ZINC000639455015 356239566 /nfs/dbraw/zinc/23/95/66/356239566.db2.gz LIRZJBOJZWRVCC-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN CCCN(CC(=O)NC)C[C@H]1CCO[C@H]1C ZINC000639457713 356242944 /nfs/dbraw/zinc/24/29/44/356242944.db2.gz MLPLISYPTCPPSX-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN NC(=O)N[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC000272221457 181261477 /nfs/dbraw/zinc/26/14/77/181261477.db2.gz AAHXRFASQMIVGB-LBPRGKRZSA-N 0 3 249.314 0.422 20 0 BCADHN NC(=O)N[C@H]1CCN(CCc2cccnc2)C1 ZINC000270695432 181261515 /nfs/dbraw/zinc/26/15/15/181261515.db2.gz WZIIVDBZKAVOJY-NSHDSACASA-N 0 3 234.303 0.367 20 0 BCADHN Cc1nccc(N2CCNC[C@](C)(F)C2)n1 ZINC000420262647 192191077 /nfs/dbraw/zinc/19/10/77/192191077.db2.gz MWCWKUBDMNHRIE-NSHDSACASA-N 0 3 224.283 0.923 20 0 BCADHN NC(=O)N[C@H]1CCN(CCc2ccncc2)C1 ZINC000270636760 181261595 /nfs/dbraw/zinc/26/15/95/181261595.db2.gz MLATURKXTMXLOG-NSHDSACASA-N 0 3 234.303 0.367 20 0 BCADHN CC[C@@H]1C(=O)NCCN1C[C@H]1CCO[C@H]1C ZINC000639495431 356321571 /nfs/dbraw/zinc/32/15/71/356321571.db2.gz HCXHMKMOGVEDSJ-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1OCC[C@H]1CN(C)[C@H]1CCN(C)C1=O ZINC000639495444 356321601 /nfs/dbraw/zinc/32/16/01/356321601.db2.gz HNTXNZQGQXTSJF-DCAQKATOSA-N 0 3 226.320 0.574 20 0 BCADHN Cn1nnnc1CN1CCNCc2ccccc21 ZINC000420294967 192203925 /nfs/dbraw/zinc/20/39/25/192203925.db2.gz OWZUZFTWBLWEMT-UHFFFAOYSA-N 0 3 244.302 0.320 20 0 BCADHN CC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000617696343 356293030 /nfs/dbraw/zinc/29/30/30/356293030.db2.gz HHLDULGULAMALH-CQSZACIVSA-N 0 3 248.326 0.889 20 0 BCADHN CN(CCc1cncn1C)CCn1cccn1 ZINC000639487263 356303058 /nfs/dbraw/zinc/30/30/58/356303058.db2.gz YNPVSNADKFAKQB-UHFFFAOYSA-N 0 3 233.319 0.791 20 0 BCADHN OCCCN(C[C@H]1CCc2ncnn21)C1CC1 ZINC000639493375 356315559 /nfs/dbraw/zinc/31/55/59/356315559.db2.gz WQGSJXAXGLCETP-LLVKDONJSA-N 0 3 236.319 0.612 20 0 BCADHN CC1(C)COC[C@@H]1N[C@H]1CCN(C2CC2)C1=O ZINC000336292578 356332029 /nfs/dbraw/zinc/33/20/29/356332029.db2.gz QUBUBALGOFHHFN-QWRGUYRKSA-N 0 3 238.331 0.764 20 0 BCADHN CCCNC(=O)CN1CCNC[C@](C)(F)C1 ZINC000420332375 192213870 /nfs/dbraw/zinc/21/38/70/192213870.db2.gz JGDGCFOBPVBJOD-NSHDSACASA-N 0 3 231.315 0.146 20 0 BCADHN CCN(CCCO)[C@@H]1CCN(C2CCC2)C1=O ZINC000639507437 356334757 /nfs/dbraw/zinc/33/47/57/356334757.db2.gz ZMNBGVOVJCKZDG-GFCCVEGCSA-N 0 3 240.347 0.844 20 0 BCADHN CCN(CCCO)[C@H]1CCN(C2CCC2)C1=O ZINC000639507444 356334989 /nfs/dbraw/zinc/33/49/89/356334989.db2.gz ZMNBGVOVJCKZDG-LBPRGKRZSA-N 0 3 240.347 0.844 20 0 BCADHN CCc1cc(=O)[n-]c(CN2CC[NH2+][C@H](C)C2)n1 ZINC000420330347 192214969 /nfs/dbraw/zinc/21/49/69/192214969.db2.gz BAXBGRCSKKTEOK-SECBINFHSA-N 0 3 236.319 0.538 20 0 BCADHN CC[C@H](C)NC(=O)CN1CCNC[C@](C)(F)C1 ZINC000420346615 192215439 /nfs/dbraw/zinc/21/54/39/192215439.db2.gz WWVZAOVPGIZOOB-JQWIXIFHSA-N 0 3 245.342 0.535 20 0 BCADHN COCCCN1CCNC[C@](C)(F)C1 ZINC000420345461 192216376 /nfs/dbraw/zinc/21/63/76/192216376.db2.gz ZMVMJDXSQKBNJM-JTQLQIEISA-N 0 3 204.289 0.656 20 0 BCADHN CCOC(=O)[C@@H](CC)N1CCNC[C@@](C)(F)C1 ZINC000420341563 192216716 /nfs/dbraw/zinc/21/67/16/192216716.db2.gz VBVBDWVGHKPROT-ZYHUDNBSSA-N 0 3 246.326 0.962 20 0 BCADHN C[C@]1(O)CCN([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000639510435 356343774 /nfs/dbraw/zinc/34/37/74/356343774.db2.gz DIMODMWIMSYMIM-YPMHNXCESA-N 0 3 238.331 0.597 20 0 BCADHN CO[C@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC000639511259 356345014 /nfs/dbraw/zinc/34/50/14/356345014.db2.gz OILHKSBZUDJCLV-ZJUUUORDSA-N 0 3 222.292 0.486 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000420346979 192218191 /nfs/dbraw/zinc/21/81/91/192218191.db2.gz FFZWRXGEZQODIQ-JLLWLGSASA-N 0 3 237.347 0.480 20 0 BCADHN CN(Cc1cc(=O)n(C)c(=O)n1C)C(C)(C)C ZINC000336133058 134097534 /nfs/dbraw/zinc/09/75/34/134097534.db2.gz GJAZWYPYAOUPRG-UHFFFAOYSA-N 0 3 239.319 0.314 20 0 BCADHN CCN1CCC(NC(=O)C2(O)CCC2)CC1 ZINC000336394731 356359832 /nfs/dbraw/zinc/35/98/32/356359832.db2.gz UOPBEUQPZDVVLT-UHFFFAOYSA-N 0 3 226.320 0.502 20 0 BCADHN CC1(O)CCN(C[C@@H]2CCc3ncnn32)CC1 ZINC000639517985 356359988 /nfs/dbraw/zinc/35/99/88/356359988.db2.gz VDIQEELZZKDPEI-JTQLQIEISA-N 0 3 236.319 0.612 20 0 BCADHN CC(=O)N1CCN(C[C@@H]2CCO[C@H]2C)[C@H](C)C1 ZINC000639517967 356360180 /nfs/dbraw/zinc/36/01/80/356360180.db2.gz UPQWTBFAFWTEQS-MDZLAQPJSA-N 0 3 240.347 0.964 20 0 BCADHN CC(=O)N1CCN(C[C@@H]2CCO[C@H]2C)[C@@H](C)C1 ZINC000639517965 356360397 /nfs/dbraw/zinc/36/03/97/356360397.db2.gz UPQWTBFAFWTEQS-GVXVVHGQSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H]1OCC[C@@H]1CN(CC(N)=O)C(C)(C)C ZINC000639519074 356363336 /nfs/dbraw/zinc/36/33/36/356363336.db2.gz GHNZLXJBPBSMHF-NXEZZACHSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1C[C@H](CO)OC[C@H]1C ZINC000639519219 356363421 /nfs/dbraw/zinc/36/34/21/356363421.db2.gz PRUSBYBQHBFAFO-WRWGMCAJSA-N 0 3 229.320 0.493 20 0 BCADHN CC(=O)CN1CCN([C@H]2CCCN(C)C2)CC1 ZINC000639530690 356379706 /nfs/dbraw/zinc/37/97/06/356379706.db2.gz HSDSGJQVCLVERK-ZDUSSCGKSA-N 0 3 239.363 0.287 20 0 BCADHN CCOCCN1CCNC[C@@](C)(F)C1 ZINC000420327708 192230224 /nfs/dbraw/zinc/23/02/24/192230224.db2.gz DQRCHDUQZMVLSH-SNVBAGLBSA-N 0 3 204.289 0.656 20 0 BCADHN NC(=O)[C@@H]1CN(C[C@H]2CC=CCC2)CCO1 ZINC000092734921 181272494 /nfs/dbraw/zinc/27/24/94/181272494.db2.gz LPIGNNUPIBPDPY-QWRGUYRKSA-N 0 3 224.304 0.529 20 0 BCADHN CCN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000336589452 356395160 /nfs/dbraw/zinc/39/51/60/356395160.db2.gz YWUNFHARGXNHMI-MRVPVSSYSA-N 0 3 206.311 0.007 20 0 BCADHN CCN1CCN(CCN2CCCC2=O)[C@H](C)C1 ZINC000352658240 356397516 /nfs/dbraw/zinc/39/75/16/356397516.db2.gz IJLUTYLTWKOEEU-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN CCc1cc(=O)[n-]c(CN2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000420380945 192234277 /nfs/dbraw/zinc/23/42/77/192234277.db2.gz RNEXHJBMRZZYPT-PSASIEDQSA-N 0 3 236.319 0.524 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN(C)[C@@H]1CCNC1=O ZINC000639547727 356411828 /nfs/dbraw/zinc/41/18/28/356411828.db2.gz BRZXJMQUWKIBOS-IVZWLZJFSA-N 0 3 212.293 0.232 20 0 BCADHN C[C@H](CO)N(C)C[C@H]1CCc2ncnn21 ZINC000639546941 356412639 /nfs/dbraw/zinc/41/26/39/356412639.db2.gz NDRPBASMHLZQHR-RKDXNWHRSA-N 0 3 210.281 0.078 20 0 BCADHN NC(=O)[C@@]1(O)CCN(Cc2ccc(F)cc2)C1 ZINC000276482395 181275079 /nfs/dbraw/zinc/27/50/79/181275079.db2.gz SKIPVTLJBOZNIF-GFCCVEGCSA-N 0 3 238.262 0.248 20 0 BCADHN CN(C)C[C@@H]1CCCN1c1nccn2nnnc12 ZINC000532422025 356420501 /nfs/dbraw/zinc/42/05/01/356420501.db2.gz SATDQDDJMUEMPE-VIFPVBQESA-N 0 3 247.306 0.050 20 0 BCADHN CCCN(C)CC(=O)N1CCN(C)C[C@@H]1CC ZINC000580351856 356429868 /nfs/dbraw/zinc/42/98/68/356429868.db2.gz UYUMAJGSYUHGEO-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C[C@H]1CCc2ncnn21 ZINC000639550901 356430425 /nfs/dbraw/zinc/43/04/25/356430425.db2.gz DAZXCTZCJGFWBN-BBBLOLIVSA-N 0 3 222.292 0.221 20 0 BCADHN CCOC(=O)[C@](C)(O)CN(C)C1CC(OC)C1 ZINC000352201201 134100449 /nfs/dbraw/zinc/10/04/49/134100449.db2.gz DUFZRDJGNAVTHM-RTYFJBAXSA-N 0 3 245.319 0.410 20 0 BCADHN c1nc2n(n1)[C@H](CN1CCc3cn[nH]c3C1)CC2 ZINC000639545275 356406772 /nfs/dbraw/zinc/40/67/72/356406772.db2.gz SPWCCOBVZFZWAJ-JTQLQIEISA-N 0 3 244.302 0.547 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN(C)C1CC(OC)C1 ZINC000352201200 134100551 /nfs/dbraw/zinc/10/05/51/134100551.db2.gz DUFZRDJGNAVTHM-CBINBANVSA-N 0 3 245.319 0.410 20 0 BCADHN [NH3+][C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000041028445 358504862 /nfs/dbraw/zinc/50/48/62/358504862.db2.gz ZWZIIGWTEOAQTA-VIFPVBQESA-N 0 3 220.272 0.956 20 0 BCADHN CN1CCC(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000190667712 356449073 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ZMZMAEWNSQFVCC-NSHDSACASA-N 0 3 227.352 0.537 20 0 BCADHN CC(=O)CN[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000639648432 356555398 /nfs/dbraw/zinc/55/53/98/356555398.db2.gz ZTKWXBJNJCBVIU-FRRDWIJNSA-N 0 3 238.331 0.812 20 0 BCADHN CC(C)[C@@](C)(NCCc1cncn1C)C(N)=O ZINC000639643440 356556572 /nfs/dbraw/zinc/55/65/72/356556572.db2.gz IELDZQIFVQJSGV-GFCCVEGCSA-N 0 3 238.335 0.452 20 0 BCADHN CC(C)COC[C@H](O)CN1CC[C@]12CCOC2 ZINC000421028088 192309371 /nfs/dbraw/zinc/30/93/71/192309371.db2.gz HHNCHNZZHSGPPA-CHWSQXEVSA-N 0 3 243.347 0.885 20 0 BCADHN CN(C)[C@H]1CN(Cc2ccns2)C[C@@H]1O ZINC000639649300 356560593 /nfs/dbraw/zinc/56/05/93/356560593.db2.gz BFQNMIMMRXHIRT-UWVGGRQHSA-N 0 3 227.333 0.250 20 0 BCADHN O=C(CN1CCC[C@H](CCO)CC1)NC1CC1 ZINC000421045606 192310432 /nfs/dbraw/zinc/31/04/32/192310432.db2.gz VAEYVUOKROPMMJ-NSHDSACASA-N 0 3 240.347 0.750 20 0 BCADHN CCCNC(=O)CN1CCC[C@H](CCO)CC1 ZINC000421042095 192311598 /nfs/dbraw/zinc/31/15/98/192311598.db2.gz PJKNUUWMLMTNSX-LBPRGKRZSA-N 0 3 242.363 0.997 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN(C)C(C)(C)C(N)=O ZINC000639660958 356570383 /nfs/dbraw/zinc/57/03/83/356570383.db2.gz YAXJZPNBZVWZNV-DTWKUNHWSA-N 0 3 214.309 0.607 20 0 BCADHN Cc1cc(C)c(CNC(CO)CO)c(C)n1 ZINC000639661644 356570514 /nfs/dbraw/zinc/57/05/14/356570514.db2.gz CLOFRGFMXCHUDB-UHFFFAOYSA-N 0 3 224.304 0.450 20 0 BCADHN CCC(=O)N[C@@H](C)C(=O)NCCN1CCCC1 ZINC000642349392 363485729 /nfs/dbraw/zinc/48/57/29/363485729.db2.gz NQNQRKRJZOEWOP-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@H]1CCc2ncnn21 ZINC000639656801 356572271 /nfs/dbraw/zinc/57/22/71/356572271.db2.gz JCMUTTQVYNIODE-VXGBXAGGSA-N 0 3 249.362 0.791 20 0 BCADHN C[C@@H]1CCN(CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000336208919 134133545 /nfs/dbraw/zinc/13/35/45/134133545.db2.gz FIGSWGFNPWKKCM-SECBINFHSA-N 0 3 239.319 0.659 20 0 BCADHN C[C@@H](O)CN(C)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000639652709 356564140 /nfs/dbraw/zinc/56/41/40/356564140.db2.gz UURDCVSNKBEOIZ-USWWRNFRSA-N 0 3 231.336 0.211 20 0 BCADHN 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ZINC000613602376 363534007 /nfs/dbraw/zinc/53/40/07/363534007.db2.gz XUBNWCGLQGBPKP-LLVKDONJSA-N 0 3 244.335 0.200 20 0 BCADHN C[C@H](CC[S@](C)=O)NCc1cn[nH]c1 ZINC000393675947 363534364 /nfs/dbraw/zinc/53/43/64/363534364.db2.gz XGUMRPKKWHNXAK-CLAHSXSESA-N 0 3 215.322 0.656 20 0 BCADHN CN(C)CCNc1nccc(-c2cnccn2)n1 ZINC000450208697 202097140 /nfs/dbraw/zinc/09/71/40/202097140.db2.gz PAGJLWAWQDDTJP-UHFFFAOYSA-N 0 3 244.302 0.907 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(=O)[nH]c1 ZINC000631128084 356622479 /nfs/dbraw/zinc/62/24/79/356622479.db2.gz VPPKBRGNMGCPCO-KCJUWKMLSA-N 0 3 235.287 0.401 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1C[C@@H]1CC(C)(C)CO1 ZINC000639729405 356622983 /nfs/dbraw/zinc/62/29/83/356622983.db2.gz IVGZJJSUZNZFPK-UTUOFQBUSA-N 0 3 243.347 0.883 20 0 BCADHN c1nc(N2CCN(CCC3CC3)CC2)n[nH]1 ZINC000639731311 356624869 /nfs/dbraw/zinc/62/48/69/356624869.db2.gz YBAGCKWRZLJIEJ-UHFFFAOYSA-N 0 3 221.308 0.727 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H]1CCC1(C)C ZINC000613586267 363527125 /nfs/dbraw/zinc/52/71/25/363527125.db2.gz MZSBZWNWZUUFTN-NSHDSACASA-N 0 3 242.363 0.853 20 0 BCADHN CC[C@@H](C)N1CCN(c2nc[nH]n2)CC1 ZINC000639731765 356625288 /nfs/dbraw/zinc/62/52/88/356625288.db2.gz LSZXLGZUEWHPOT-SECBINFHSA-N 0 3 209.297 0.725 20 0 BCADHN C1=CCC(CN2CCN(c3nc[nH]n3)CC2)C1 ZINC000639732269 356625824 /nfs/dbraw/zinc/62/58/24/356625824.db2.gz SXWBQIQYOZNDKY-UHFFFAOYSA-N 0 3 233.319 0.893 20 0 BCADHN CCC[C@H](O)CN1CCC[C@@H]1C(=O)N(C)C ZINC000450239353 202104690 /nfs/dbraw/zinc/10/46/90/202104690.db2.gz DMLHDEROBDWWON-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN CCC[C@H](O)CN1CCC[C@@H]1C(N)=O ZINC000450246179 202105375 /nfs/dbraw/zinc/10/53/75/202105375.db2.gz JYRGCUDFRUFJMP-DTWKUNHWSA-N 0 3 200.282 0.097 20 0 BCADHN CCC[C@@H](O)CN(CCC)CC(=O)N(C)C ZINC000450287157 202121880 /nfs/dbraw/zinc/12/18/80/202121880.db2.gz OXQMZJXHPSAXIG-LLVKDONJSA-N 0 3 230.352 0.948 20 0 BCADHN CCC[C@H](O)CN(CCC)CC(=O)N(C)C ZINC000450287159 202122040 /nfs/dbraw/zinc/12/20/40/202122040.db2.gz OXQMZJXHPSAXIG-NSHDSACASA-N 0 3 230.352 0.948 20 0 BCADHN COCC[C@H](C)N1CCO[C@]2(CCOC2)C1 ZINC000346148984 538479916 /nfs/dbraw/zinc/47/99/16/538479916.db2.gz JVECHHUWTIABOS-NWDGAFQWSA-N 0 3 229.320 0.903 20 0 BCADHN CCN1[C@H](C)CN(CC(=O)NC2CC2)C[C@@H]1C ZINC000639745427 356637939 /nfs/dbraw/zinc/63/79/39/356637939.db2.gz IJOOJTXRZRYLGM-PHIMTYICSA-N 0 3 239.363 0.680 20 0 BCADHN CCC[C@H](O)CN1CCC[C@@H]1C(=O)NC ZINC000450282485 202117716 /nfs/dbraw/zinc/11/77/16/202117716.db2.gz HJXPXKPBVJMUMM-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN CCNC(=O)CN1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000639747674 356640901 /nfs/dbraw/zinc/64/09/01/356640901.db2.gz BLQCEALRQWZKOG-LLVKDONJSA-N 0 3 241.379 0.785 20 0 BCADHN O[C@@H]1CCN(CCNCc2ccco2)C1 ZINC000623756866 356661489 /nfs/dbraw/zinc/66/14/89/356661489.db2.gz IIMBORVRAMWMQK-SNVBAGLBSA-N 0 3 210.277 0.436 20 0 BCADHN C[C@@H](N)C(=O)N1CCN(C)Cc2ccccc21 ZINC000167653814 134153180 /nfs/dbraw/zinc/15/31/80/134153180.db2.gz YEDBONMEIDMNNZ-SNVBAGLBSA-N 0 3 233.315 0.812 20 0 BCADHN CCn1nnc(C)c1CNC[C@H]1CCCN1C ZINC000623634878 366314430 /nfs/dbraw/zinc/31/44/30/366314430.db2.gz DHCQXZXEYHAFFR-LLVKDONJSA-N 0 3 237.351 0.790 20 0 BCADHN CO[C@@H](C)CN1CCC(N2CCNC2=O)CC1 ZINC000167629215 134153344 /nfs/dbraw/zinc/15/33/44/134153344.db2.gz QASHNKWXVYVRIA-JTQLQIEISA-N 0 3 241.335 0.511 20 0 BCADHN CC(C)NC[C@H]1CCCCS1(=O)=O ZINC000167700242 134153549 /nfs/dbraw/zinc/15/35/49/134153549.db2.gz SDKRZWQRNWNSRG-SECBINFHSA-N 0 3 205.323 0.952 20 0 BCADHN CC(C)(C)OC(=O)CCCNC(CO)CO ZINC000578140196 366319421 /nfs/dbraw/zinc/31/94/21/366319421.db2.gz BXXVICXJBMPOJO-UHFFFAOYSA-N 0 3 233.308 0.051 20 0 BCADHN CN(C)CC(=O)NC[C@@H](N)c1ccccc1 ZINC000167917086 134154535 /nfs/dbraw/zinc/15/45/35/134154535.db2.gz RJCSHJOKSAYMDB-LLVKDONJSA-N 0 3 221.304 0.364 20 0 BCADHN CN(C)CC(=O)Nc1ccc2c(c1)CNCC2 ZINC000167940784 134154836 /nfs/dbraw/zinc/15/48/36/134154836.db2.gz AWEPAZWFEKZQGU-UHFFFAOYSA-N 0 3 233.315 0.832 20 0 BCADHN O=C1CCCN1[C@@H]1CCCN(CCCO)C1 ZINC000304047500 356669012 /nfs/dbraw/zinc/66/90/12/356669012.db2.gz JXIZYBSQNBJDCP-LLVKDONJSA-N 0 3 226.320 0.456 20 0 BCADHN CCC[C@H](O)CN1CCO[C@@H](CN(C)C)C1 ZINC000450374106 202147288 /nfs/dbraw/zinc/14/72/88/202147288.db2.gz BJTVJPZQFINMPX-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN NC(=O)c1cc(CNC2CCCC2)on1 ZINC000273396412 181288369 /nfs/dbraw/zinc/28/83/69/181288369.db2.gz LAJITRASWHXDHJ-UHFFFAOYSA-N 0 3 209.249 0.806 20 0 BCADHN Cn1nncc1CN[C@@H]1C[C@H](O)C1(C)C ZINC000168169799 134156363 /nfs/dbraw/zinc/15/63/63/134156363.db2.gz WYCMGSKICSJEDC-BDAKNGLRSA-N 0 3 210.281 0.064 20 0 BCADHN OCC1CCN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000675081008 538520832 /nfs/dbraw/zinc/52/08/32/538520832.db2.gz ZLAGWAZSFGTUHK-AGIUHOORSA-N 0 3 241.331 0.495 20 0 BCADHN CCCN(CCCC(=O)N(C)C)CC(N)=O ZINC000582249534 356683171 /nfs/dbraw/zinc/68/31/71/356683171.db2.gz PZTRRGXSBYJQDO-UHFFFAOYSA-N 0 3 229.324 0.052 20 0 BCADHN CC(C)CNC(=O)CN1CCC[C@H]1C(C)(C)O ZINC000305194535 356683758 /nfs/dbraw/zinc/68/37/58/356683758.db2.gz STXFTOGSPJQMGX-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)NCCCO ZINC000111882874 356699518 /nfs/dbraw/zinc/69/95/18/356699518.db2.gz JMJAMRYWNRGVAT-NSHDSACASA-N 0 3 243.351 0.542 20 0 BCADHN COC(=O)CCN(C[C@H]1COCCO1)C(C)C ZINC000450401323 202153583 /nfs/dbraw/zinc/15/35/83/202153583.db2.gz GMOHEIOWAKQZSJ-NSHDSACASA-N 0 3 245.319 0.675 20 0 BCADHN COCC1CCN(C[C@@](C)(O)C(C)=O)CC1 ZINC000450400644 202154786 /nfs/dbraw/zinc/15/47/86/202154786.db2.gz GUZGSSKXLCIBQF-GFCCVEGCSA-N 0 3 229.320 0.685 20 0 BCADHN CC(C)CN(C)S(=O)(=O)N1CCNC[C@@H]1C ZINC000353239292 356708751 /nfs/dbraw/zinc/70/87/51/356708751.db2.gz AZWHQJDJKOSQQF-JTQLQIEISA-N 0 3 249.380 0.113 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@@]2(C)CCOC2)C1 ZINC000542591788 325036385 /nfs/dbraw/zinc/03/63/85/325036385.db2.gz MGZUBROAVWDGJK-AAEUAGOBSA-N 0 3 240.347 0.871 20 0 BCADHN Cc1ncccc1CN1[C@@H](CO)CC[C@@H]1CO ZINC000639783219 356732895 /nfs/dbraw/zinc/73/28/95/356732895.db2.gz FLFOHSICNRRCSM-CHWSQXEVSA-N 0 3 236.315 0.708 20 0 BCADHN Cc1nn(C)cc1CN1[C@@H](CO)CC[C@@H]1CO ZINC000639783459 356733591 /nfs/dbraw/zinc/73/35/91/356733591.db2.gz YLQOBTKOGGTQRS-VXGBXAGGSA-N 0 3 239.319 0.046 20 0 BCADHN CCc1cc(N2CCO[C@H](C(=O)NC)C2)ccn1 ZINC000450434056 202167319 /nfs/dbraw/zinc/16/73/19/202167319.db2.gz MILPKLHJAOMYSD-LBPRGKRZSA-N 0 3 249.314 0.595 20 0 BCADHN CCc1cc(N2CCO[C@@H](C(=O)NC)C2)ccn1 ZINC000450434055 202167355 /nfs/dbraw/zinc/16/73/55/202167355.db2.gz MILPKLHJAOMYSD-GFCCVEGCSA-N 0 3 249.314 0.595 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)N[C@H](C)COC ZINC000355116174 356750284 /nfs/dbraw/zinc/75/02/84/356750284.db2.gz RTODUBIYOVJGLI-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN CC1CC(NCC(=O)N2CCN(C)CC2)C1 ZINC000166626033 538620214 /nfs/dbraw/zinc/62/02/14/538620214.db2.gz CJSPJVWUDXKBPY-UHFFFAOYSA-N 0 3 225.336 0.149 20 0 BCADHN Cc1noc([C@@H]2CCCN(CCCO)C2)n1 ZINC000054341318 363566657 /nfs/dbraw/zinc/56/66/57/363566657.db2.gz DPVVJNZTCZDSJP-SNVBAGLBSA-N 0 3 225.292 0.940 20 0 BCADHN CO[C@H]1CN(C[C@H]2CCCN2C)CCO1 ZINC000639840561 356836103 /nfs/dbraw/zinc/83/61/03/356836103.db2.gz YFKNTTHYOBCQDZ-GHMZBOCLSA-N 0 3 214.309 0.385 20 0 BCADHN CN(C)C[C@@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC000194683175 538679575 /nfs/dbraw/zinc/67/95/75/538679575.db2.gz OAQBARAXYIAAOF-VIFPVBQESA-N 0 3 237.307 0.361 20 0 BCADHN C[C@H](NC(=O)N(C)CCN(C)C)C1CC1 ZINC000356046469 356785929 /nfs/dbraw/zinc/78/59/29/356785929.db2.gz TVMBBXHFLQOBNZ-VIFPVBQESA-N 0 3 213.325 0.988 20 0 BCADHN c1nc2n(n1)[C@H](CN1CC[C@@H]3COC[C@H]3C1)CC2 ZINC000639862345 356870603 /nfs/dbraw/zinc/87/06/03/356870603.db2.gz JABVCFAPVIJUFN-UTUOFQBUSA-N 0 3 248.330 0.734 20 0 BCADHN CC(=O)CN1CCC(N2CC[C@H](O)C2)CC1 ZINC000639863514 356872799 /nfs/dbraw/zinc/87/27/99/356872799.db2.gz LTSOMROYEPWAMZ-LBPRGKRZSA-N 0 3 226.320 0.106 20 0 BCADHN CCO[C@H](C(=O)NCCN(C)C)C1CC1 ZINC000623370474 356873624 /nfs/dbraw/zinc/87/36/24/356873624.db2.gz MMTDZBCRJCLMJP-JTQLQIEISA-N 0 3 214.309 0.479 20 0 BCADHN O=C1NCC[C@@H]1N1CCC[C@@H](n2ccnn2)CC1 ZINC000639845557 356841691 /nfs/dbraw/zinc/84/16/91/356841691.db2.gz WJAGRUSZCYRQBI-MNOVXSKESA-N 0 3 249.318 0.194 20 0 BCADHN CC(C)OCCN1C[C@@H](O)C[C@@]1(C)CO ZINC000639847480 356843457 /nfs/dbraw/zinc/84/34/57/356843457.db2.gz BMKJLMCPAOVTCY-QWRGUYRKSA-N 0 3 217.309 0.229 20 0 BCADHN C[C@@]1(CO)C[C@@H](O)CN1CCc1cncs1 ZINC000639848149 356845545 /nfs/dbraw/zinc/84/55/45/356845545.db2.gz FNGNMJCEHYSGMG-KOLCDFICSA-N 0 3 242.344 0.503 20 0 BCADHN CC(C)(C)OCCN1C[C@@H](O)C[C@]1(C)CO ZINC000639847925 356845589 /nfs/dbraw/zinc/84/55/89/356845589.db2.gz DLNFCOPXRHARBF-CMPLNLGQSA-N 0 3 231.336 0.619 20 0 BCADHN C[C@@]1(CO)C[C@@H](O)CN1CCc1ccccn1 ZINC000639849737 356850585 /nfs/dbraw/zinc/85/05/85/356850585.db2.gz YVJCDAKAKAZIJP-OLZOCXBDSA-N 0 3 236.315 0.442 20 0 BCADHN C[C@]1(CO)C[C@H](O)CN1CCc1ccncc1 ZINC000639850125 356851032 /nfs/dbraw/zinc/85/10/32/356851032.db2.gz SUTJEATZKSFEMO-QWHCGFSZSA-N 0 3 236.315 0.442 20 0 BCADHN C[C@@]1(CO)C[C@@H](O)CN1Cc1cccnc1 ZINC000639851395 356851322 /nfs/dbraw/zinc/85/13/22/356851322.db2.gz LYEZZACLTFMDNO-NEPJUHHUSA-N 0 3 222.288 0.399 20 0 BCADHN C[C@]1(CO)C[C@H](O)CN1CCC(F)(F)F ZINC000639850279 356851437 /nfs/dbraw/zinc/85/14/37/356851437.db2.gz UJVDWWVDPJEKMR-JGVFFNPUSA-N 0 3 227.226 0.756 20 0 BCADHN Cc1cnn(CCN2C[C@@H](O)C[C@]2(C)CO)c1 ZINC000639850863 356854673 /nfs/dbraw/zinc/85/46/73/356854673.db2.gz XRWJYGQPOKWEBP-NWDGAFQWSA-N 0 3 239.319 0.009 20 0 BCADHN Cc1ccncc1CN1C[C@@H](O)C[C@]1(C)CO ZINC000639855630 356860139 /nfs/dbraw/zinc/86/01/39/356860139.db2.gz WBFIGGKOOHYCBX-QWHCGFSZSA-N 0 3 236.315 0.708 20 0 BCADHN Cc1ccncc1CN1C[C@H](O)C[C@]1(C)CO ZINC000639855628 356860622 /nfs/dbraw/zinc/86/06/22/356860622.db2.gz WBFIGGKOOHYCBX-CHWSQXEVSA-N 0 3 236.315 0.708 20 0 BCADHN CCc1nc(CCN[C@@H](C)CC(=O)NC)no1 ZINC000358100775 356860805 /nfs/dbraw/zinc/86/08/05/356860805.db2.gz QDAHCYNYGWSFNX-QMMMGPOBSA-N 0 3 240.307 0.289 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000352799157 538727686 /nfs/dbraw/zinc/72/76/86/538727686.db2.gz FIOBODVYCMUHAD-QJPTWQEYSA-N 0 3 239.363 0.809 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)CCCC(N)=O ZINC000361918248 356939496 /nfs/dbraw/zinc/93/94/96/356939496.db2.gz FSVHOCIQRHEBAO-SNVBAGLBSA-N 0 3 241.335 0.243 20 0 BCADHN CC(C)CN1CCO[C@@H](CN(C)C)C1 ZINC000361982519 356940321 /nfs/dbraw/zinc/94/03/21/356940321.db2.gz USYCICGVDKSLKF-NSHDSACASA-N 0 3 200.326 0.905 20 0 BCADHN C[C@H]1[C@H](NC(=O)C2CC(C)(O)C2)CCCN1C ZINC000450546800 202195232 /nfs/dbraw/zinc/19/52/32/202195232.db2.gz KZOIYSWUUAXUCE-MSLYCWSTSA-N 0 3 240.347 0.746 20 0 BCADHN CC(C)CCOCCN1CC[C@@H](CO)[C@H](O)C1 ZINC000582264330 356961127 /nfs/dbraw/zinc/96/11/27/356961127.db2.gz FVLBMKCDSPNJQF-QWHCGFSZSA-N 0 3 245.363 0.724 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCCN1C)N(C)C ZINC000130701225 325081305 /nfs/dbraw/zinc/08/13/05/325081305.db2.gz DANMYNRTBPDZLK-WDEREUQCSA-N 0 3 227.352 0.537 20 0 BCADHN CCN1CCCN(C(=O)N[C@@H](C)COC)CC1 ZINC000118894568 356998673 /nfs/dbraw/zinc/99/86/73/356998673.db2.gz UPRTYXCZEWCQPY-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN CCC[C@@H](O)CNC1(C(N)=O)CCCCC1 ZINC000450581567 202202990 /nfs/dbraw/zinc/20/29/90/202202990.db2.gz OXZUNJOOBIEBGI-SNVBAGLBSA-N 0 3 228.336 0.925 20 0 BCADHN CC1(C)CC[C@@H](N2CCO[C@@H](C(N)=O)C2)C1 ZINC000368633721 356975347 /nfs/dbraw/zinc/97/53/47/356975347.db2.gz SEWNXFLHSJCYNM-NXEZZACHSA-N 0 3 226.320 0.751 20 0 BCADHN CCc1nnc(CN2CCCN(CC)CC2)[nH]1 ZINC000368622213 356975437 /nfs/dbraw/zinc/97/54/37/356975437.db2.gz CUGWVXJEBSPGCT-UHFFFAOYSA-N 0 3 237.351 0.895 20 0 BCADHN CO[C@@H](CN1CCN(C)C[C@@H]1CO)C1CCC1 ZINC000639866770 356984656 /nfs/dbraw/zinc/98/46/56/356984656.db2.gz IDAVEYSKPCNBKC-OLZOCXBDSA-N 0 3 242.363 0.410 20 0 BCADHN CO[C@@H](CN1CCN(C)C[C@H]1CO)C1CCC1 ZINC000639866774 356984665 /nfs/dbraw/zinc/98/46/65/356984665.db2.gz IDAVEYSKPCNBKC-STQMWFEESA-N 0 3 242.363 0.410 20 0 BCADHN CCCCOC[C@H](O)CN1C[C@@H](O)C2(CC2)C1 ZINC000369486882 356987551 /nfs/dbraw/zinc/98/75/51/356987551.db2.gz XYIHPWFFIRSZOF-VXGBXAGGSA-N 0 3 243.347 0.621 20 0 BCADHN CN1CCN(CCC[C@@H]2CCOC2)[C@@H](CO)C1 ZINC000639867167 356989326 /nfs/dbraw/zinc/98/93/26/356989326.db2.gz KVMRATHHFANKPC-CHWSQXEVSA-N 0 3 242.363 0.411 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C(=O)OC)C(C)(C)C ZINC000129853211 356992904 /nfs/dbraw/zinc/99/29/04/356992904.db2.gz FEZJJMHLSKPYKT-HTQZYQBOSA-N 0 3 230.308 0.428 20 0 BCADHN OCCN1CCCC[C@H]1CNc1ncccn1 ZINC000450612253 202210293 /nfs/dbraw/zinc/21/02/93/202210293.db2.gz JSVFDILEFDEACC-NSHDSACASA-N 0 3 236.319 0.735 20 0 BCADHN CN1CCN(CC[C@@H]2CCCO2)[C@H](CO)C1 ZINC000639871920 357039436 /nfs/dbraw/zinc/03/94/36/357039436.db2.gz MGRSYQCCJGJHSH-RYUDHWBXSA-N 0 3 228.336 0.164 20 0 BCADHN CCC[C@H](O)CN(C)C1(C(N)=O)CCCC1 ZINC000450619715 202212967 /nfs/dbraw/zinc/21/29/67/202212967.db2.gz GGWMIIRMGCYAOP-JTQLQIEISA-N 0 3 228.336 0.877 20 0 BCADHN CC(=O)N1CC(N[C@H](C)Cc2cnccn2)C1 ZINC000582311197 357051697 /nfs/dbraw/zinc/05/16/97/357051697.db2.gz FXVJALKMOUPYSN-SECBINFHSA-N 0 3 234.303 0.228 20 0 BCADHN CN1CCN(C[C@H](O)C(C)(C)C)[C@@H](CO)C1 ZINC000639867858 357001213 /nfs/dbraw/zinc/00/12/13/357001213.db2.gz PHFYHVKNMXFTRB-MNOVXSKESA-N 0 3 230.352 0.002 20 0 BCADHN CN1CCN(CC2CC=CC2)[C@@H](CO)C1 ZINC000639868763 357010349 /nfs/dbraw/zinc/01/03/49/357010349.db2.gz WLAANDVLTJHZMR-GFCCVEGCSA-N 0 3 210.321 0.561 20 0 BCADHN CN1CCN(CC2=CCCC2)[C@H](CO)C1 ZINC000639869150 357013617 /nfs/dbraw/zinc/01/36/17/357013617.db2.gz ZGFDMDVRCWYBQY-LBPRGKRZSA-N 0 3 210.321 0.705 20 0 BCADHN CC/C=C\CCN1CCN(C)C[C@@H]1CO ZINC000639869334 357015197 /nfs/dbraw/zinc/01/51/97/357015197.db2.gz BCZHDLIGBBCXTJ-QMAVJUDZSA-N 0 3 212.337 0.951 20 0 BCADHN OCc1ccc(CNC[C@H](CO)C2CC2)o1 ZINC000390750925 357115091 /nfs/dbraw/zinc/11/50/91/357115091.db2.gz CPKBGWSULLHFMH-SNVBAGLBSA-N 0 3 225.288 0.880 20 0 BCADHN CCOC[C@@H](N[C@@H]1COC[C@H]1O)C(C)C ZINC000389892938 357060177 /nfs/dbraw/zinc/06/01/77/357060177.db2.gz WZWKMZMEBVACAT-GMTAPVOTSA-N 0 3 217.309 0.397 20 0 BCADHN CC1(C)CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000372121134 357065727 /nfs/dbraw/zinc/06/57/27/357065727.db2.gz JHJZMDFGAZTYKA-LLVKDONJSA-N 0 3 230.283 0.325 20 0 BCADHN C[C@@]1(C(=O)NCCc2cnccn2)CCCCN1 ZINC000389997051 357081649 /nfs/dbraw/zinc/08/16/49/357081649.db2.gz IEDPSSUCZWQWDF-ZDUSSCGKSA-N 0 3 248.330 0.668 20 0 BCADHN COC[C@@H](O)CCNCc1ccc(C)nc1 ZINC000156468274 538781456 /nfs/dbraw/zinc/78/14/56/538781456.db2.gz MUJDGCMXYVIPAA-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN OCc1ccc(CNCCc2cnccn2)o1 ZINC000390033520 357084965 /nfs/dbraw/zinc/08/49/65/357084965.db2.gz ZPDWPQYQFRTARL-UHFFFAOYSA-N 0 3 233.271 0.894 20 0 BCADHN COCCN1CCC(Nc2c[nH]cn2)CC1 ZINC000390425259 357092443 /nfs/dbraw/zinc/09/24/43/357092443.db2.gz MAIATEGXKBXNIT-UHFFFAOYSA-N 0 3 224.308 0.932 20 0 BCADHN COCCOC[C@@H](C)NC[C@@H](O)C(F)(F)F ZINC000582355760 357098709 /nfs/dbraw/zinc/09/87/09/357098709.db2.gz ZGYZIJHEBBGLEV-HTQZYQBOSA-N 0 3 245.241 0.551 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1CCC[C@H]1C(=O)OC ZINC000130010360 357138914 /nfs/dbraw/zinc/13/89/14/357138914.db2.gz GGGDJFBCIRJJES-HLTSFMKQSA-N 0 3 228.292 0.182 20 0 BCADHN Cc1nc([C@H](C)N[C@@H]2C[C@@H](O)C2(C)C)n[nH]1 ZINC000392396068 357150907 /nfs/dbraw/zinc/15/09/07/357150907.db2.gz ZJLSIFDULVRMTP-NBEYISGCSA-N 0 3 224.308 0.923 20 0 BCADHN C[C@H]1CCN(CCc2cnccn2)C[C@H]1CO ZINC000639884404 357158799 /nfs/dbraw/zinc/15/87/99/357158799.db2.gz DKACVFORWJDCMQ-RYUDHWBXSA-N 0 3 235.331 0.969 20 0 BCADHN CC(C)CN1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000304235508 357160586 /nfs/dbraw/zinc/16/05/86/357160586.db2.gz MBYXRTGSMRSKQM-VXGBXAGGSA-N 0 3 228.336 0.020 20 0 BCADHN CCN1CCCC[C@H]1C(=O)NCC[C@H](C)O ZINC000304283229 357161028 /nfs/dbraw/zinc/16/10/28/357161028.db2.gz ZJQUSVOLAYOMRX-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@@H](O)CN1CCN(CCOC(C)C)CC1 ZINC000304331496 357162968 /nfs/dbraw/zinc/16/29/68/357162968.db2.gz VGAKOKHWYATRMN-CYBMUJFWSA-N 0 3 244.379 0.800 20 0 BCADHN O=C(NCCNCC1(F)CC1)c1ccn[nH]1 ZINC000390798580 357116505 /nfs/dbraw/zinc/11/65/05/357116505.db2.gz VLFQOUPIYXIMFU-UHFFFAOYSA-N 0 3 226.255 0.231 20 0 BCADHN CCOC[C@H](O)CNCc1ccnc(C)c1 ZINC000391203687 357126476 /nfs/dbraw/zinc/12/64/76/357126476.db2.gz SKXZKCWFCSRWEK-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H]1CC(=O)N(CC)C1 ZINC000391548629 357130687 /nfs/dbraw/zinc/13/06/87/357130687.db2.gz GACDOSZPGFDNBU-BXKDBHETSA-N 0 3 241.335 0.241 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H]1CC(=O)N(CC)C1 ZINC000391548634 357130952 /nfs/dbraw/zinc/13/09/52/357130952.db2.gz GACDOSZPGFDNBU-SKDRFNHKSA-N 0 3 241.335 0.241 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H]1CC(=O)N(CC)C1 ZINC000391548633 357131115 /nfs/dbraw/zinc/13/11/15/357131115.db2.gz GACDOSZPGFDNBU-JOYOIKCWSA-N 0 3 241.335 0.241 20 0 BCADHN CCN1CCC(N(C)S(=O)(=O)C2CC2)CC1 ZINC000122843767 357194396 /nfs/dbraw/zinc/19/43/96/357194396.db2.gz WOHCUOAZBBCOMY-UHFFFAOYSA-N 0 3 246.376 0.895 20 0 BCADHN Cc1cn[nH]c1CNC1CN(c2ccncn2)C1 ZINC000631257475 357202370 /nfs/dbraw/zinc/20/23/70/357202370.db2.gz XTPUAEOXONEWFU-UHFFFAOYSA-N 0 3 244.302 0.487 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCC[C@H]1C(N)=O ZINC000639891836 357213949 /nfs/dbraw/zinc/21/39/49/357213949.db2.gz DGYVWHRRAFIICM-AEJSXWLSSA-N 0 3 212.293 0.361 20 0 BCADHN C[C@H]1OCC[C@H]1CN1CCC[C@H]1C(N)=O ZINC000639891839 357214124 /nfs/dbraw/zinc/21/41/24/357214124.db2.gz DGYVWHRRAFIICM-UTLUCORTSA-N 0 3 212.293 0.361 20 0 BCADHN O[C@H]1CN(C[C@H]2C[C@H]2c2ccccc2)C[C@@H]1O ZINC000628414875 357231528 /nfs/dbraw/zinc/23/15/28/357231528.db2.gz SPFLJFSCUZLYQC-RFGFWPKPSA-N 0 3 233.311 0.828 20 0 BCADHN COC(=O)C[C@H]1CCCCN1CCOCCO ZINC000050052536 357282635 /nfs/dbraw/zinc/28/26/35/357282635.db2.gz REVSGUXELMWVKW-LLVKDONJSA-N 0 3 245.319 0.413 20 0 BCADHN CN[C@@H](C)C(=O)NCc1sc(C)nc1C ZINC000393609355 357289392 /nfs/dbraw/zinc/28/93/92/357289392.db2.gz SEKHVAUTDLAGFA-ZETCQYMHSA-N 0 3 227.333 0.984 20 0 BCADHN CC(=O)N1CC(NC2CCC(O)CC2)C1 ZINC000393808049 357301342 /nfs/dbraw/zinc/30/13/42/357301342.db2.gz YUGGZCWMAKQWCC-UHFFFAOYSA-N 0 3 212.293 0.110 20 0 BCADHN CCCN1CC[C@H](NCc2cnnn2C)C1 ZINC000389555050 538823610 /nfs/dbraw/zinc/82/36/10/538823610.db2.gz QYPOFHBTMPCOJW-JTQLQIEISA-N 0 3 223.324 0.389 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCN1CC=CCC1 ZINC000392857764 357253946 /nfs/dbraw/zinc/25/39/46/357253946.db2.gz MNOYPDXYXOHCGB-NSHDSACASA-N 0 3 225.336 0.348 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@@H](N2CCCC2)C1 ZINC000217368321 357259808 /nfs/dbraw/zinc/25/98/08/357259808.db2.gz UMALDAXESRLQII-MNOVXSKESA-N 0 3 225.336 0.420 20 0 BCADHN CC[C@@H]1CN(C)CCN1CC[C@H](C)O ZINC000582722057 357372168 /nfs/dbraw/zinc/37/21/68/357372168.db2.gz NBUATDBQFRRHBN-WDEREUQCSA-N 0 3 200.326 0.783 20 0 BCADHN CCOC1CC(N[C@@H]2COC[C@H]2OC)C1 ZINC000582723784 357372702 /nfs/dbraw/zinc/37/27/02/357372702.db2.gz QJMKJIGHNHBSOU-JPPWEJMLSA-N 0 3 215.293 0.557 20 0 BCADHN O[C@H]1CCCC[C@H]1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000582731302 357374762 /nfs/dbraw/zinc/37/47/62/357374762.db2.gz ZPJKTNCJZNOAIX-RVMXOQNASA-N 0 3 241.331 0.637 20 0 BCADHN CN(Cc1ncccc1[O-])C1(CO)CC1 ZINC000582733326 357375144 /nfs/dbraw/zinc/37/51/44/357375144.db2.gz AIPDMBXMFYEMRB-UHFFFAOYSA-N 0 3 208.261 0.744 20 0 BCADHN C[N@H+](Cc1ncccc1[O-])C1(CO)CC1 ZINC000582733326 357375148 /nfs/dbraw/zinc/37/51/48/357375148.db2.gz AIPDMBXMFYEMRB-UHFFFAOYSA-N 0 3 208.261 0.744 20 0 BCADHN C[N@@H+](Cc1ncccc1[O-])C1(CO)CC1 ZINC000582733326 357375152 /nfs/dbraw/zinc/37/51/52/357375152.db2.gz AIPDMBXMFYEMRB-UHFFFAOYSA-N 0 3 208.261 0.744 20 0 BCADHN C[C@H](O)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000582496103 357326242 /nfs/dbraw/zinc/32/62/42/357326242.db2.gz FOWLKWRKBZTYEV-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@@H](C)N1CCN(Cc2nncn2C)CC1 ZINC000582528272 357335609 /nfs/dbraw/zinc/33/56/09/357335609.db2.gz UYGVVIBSVGFYLT-LLVKDONJSA-N 0 3 237.351 0.731 20 0 BCADHN CN(CCNC(=O)C(C)(C)CO)C1CC1 ZINC000582556272 357343713 /nfs/dbraw/zinc/34/37/13/357343713.db2.gz VMTNHHZXHBPNFA-UHFFFAOYSA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)([NH3+])C[N-]S(=O)(=O)c1cccs1 ZINC000168387453 134197592 /nfs/dbraw/zinc/19/75/92/134197592.db2.gz KXJLGVHURRWDAX-UHFFFAOYSA-N 0 3 234.346 0.764 20 0 BCADHN COC[C@@H](O)CCNCc1cnc(C)n1C ZINC000582676976 357357967 /nfs/dbraw/zinc/35/79/67/357357967.db2.gz JMFQAFWWWIVBQR-NSHDSACASA-N 0 3 227.308 0.216 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NC1(C2CC2)CC1 ZINC000582666753 357358544 /nfs/dbraw/zinc/35/85/44/357358544.db2.gz ANIRNWPFHSRMLN-VIFPVBQESA-N 0 3 240.303 0.326 20 0 BCADHN Cc1ncc(CN[C@H](C)C[S@](C)=O)n1C ZINC000582675810 357361260 /nfs/dbraw/zinc/36/12/60/357361260.db2.gz ACZYXYINNXXVKJ-GLEZIHRCSA-N 0 3 229.349 0.585 20 0 BCADHN CCc1nnc(CN[C@@H]2CN(C3CC3)C[C@H]2C)[nH]1 ZINC000582646574 357362252 /nfs/dbraw/zinc/36/22/52/357362252.db2.gz ZFATUZABAQIUSZ-MWLCHTKSSA-N 0 3 249.362 0.939 20 0 BCADHN C[C@@H](N)C(=O)N(C)CCN(C)c1ccccc1 ZINC000168379211 134197747 /nfs/dbraw/zinc/19/77/47/134197747.db2.gz PKMRYYDMYLDNCI-LLVKDONJSA-N 0 3 235.331 0.928 20 0 BCADHN CC1=CCN(CCNc2cc(=O)n(C)cn2)CC1 ZINC000582796338 357397595 /nfs/dbraw/zinc/39/75/95/357397595.db2.gz CQHLJOYGQLXDJW-UHFFFAOYSA-N 0 3 248.330 0.844 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@@H](C)NC1CC1 ZINC000395071499 357410729 /nfs/dbraw/zinc/41/07/29/357410729.db2.gz MOGTYJKVIRIQIZ-NXEZZACHSA-N 0 3 228.336 0.652 20 0 BCADHN c1ncc(CNC[C@H]2COCCN2)s1 ZINC000131596619 325167354 /nfs/dbraw/zinc/16/73/54/325167354.db2.gz ACQRSPSESFARCW-QMMMGPOBSA-N 0 3 213.306 0.221 20 0 BCADHN COc1ccc([O-])c(C(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000381416849 357380247 /nfs/dbraw/zinc/38/02/47/357380247.db2.gz ZNXNXTYIMJBVNM-HTQZYQBOSA-N 0 3 238.287 0.866 20 0 BCADHN CO[C@H](CN1CCC[C@]12CCNC2=O)C1CC1 ZINC000583152563 357496919 /nfs/dbraw/zinc/49/69/19/357496919.db2.gz XXPBAILGKVABLL-DGCLKSJQSA-N 0 3 238.331 0.766 20 0 BCADHN CN(C)[C@H]1CN(CCc2ccccc2)C[C@@H]1O ZINC000584389149 357498709 /nfs/dbraw/zinc/49/87/09/357498709.db2.gz SYXWSCPPFCOQPU-KBPBESRZSA-N 0 3 234.343 0.836 20 0 BCADHN Cc1ccc(CNC[C@@H]2COCCO2)cn1 ZINC000158092178 538849227 /nfs/dbraw/zinc/84/92/27/538849227.db2.gz CISGPLMVLZZRNL-GFCCVEGCSA-N 0 3 222.288 0.895 20 0 BCADHN Cc1nc(NC(=O)CN2CC[C@H](C)C2)n[nH]1 ZINC000582973275 357449229 /nfs/dbraw/zinc/44/92/29/357449229.db2.gz UEVNWWQVMAGVKH-ZETCQYMHSA-N 0 3 223.280 0.393 20 0 BCADHN CC(C)NC(=O)NCCN(C)C[C@@H](C)O ZINC000583022238 357451227 /nfs/dbraw/zinc/45/12/27/357451227.db2.gz JECFYHUTPPXAEL-SECBINFHSA-N 0 3 217.313 0.007 20 0 BCADHN CC1(C)C[C@H](NCCCS(C)(=O)=O)CO1 ZINC000396855963 357485597 /nfs/dbraw/zinc/48/55/97/357485597.db2.gz RYCVDSSZFZCRGK-VIFPVBQESA-N 0 3 235.349 0.578 20 0 BCADHN CC1(C)C[C@@H](NCC(=O)N2CCOCC2)CO1 ZINC000396856611 357485635 /nfs/dbraw/zinc/48/56/35/357485635.db2.gz NVUQVKFUTSVOHZ-SNVBAGLBSA-N 0 3 242.319 0.002 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CCc2n[nH]nc2C1 ZINC000396868913 357486148 /nfs/dbraw/zinc/48/61/48/357486148.db2.gz HKDMLZLWSFESOX-SECBINFHSA-N 0 3 237.307 0.063 20 0 BCADHN COC1(C(=O)N(C)CCN(C)C)CCCC1 ZINC000583119377 357490116 /nfs/dbraw/zinc/49/01/16/357490116.db2.gz YEJHSPUXJJOEHS-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN O=C(c1ccc(=O)[nH]c1)N1CCN2CCC1CC2 ZINC000188638097 357569861 /nfs/dbraw/zinc/56/98/61/357569861.db2.gz GMLBWKBJCZHALR-UHFFFAOYSA-N 0 3 247.298 0.707 20 0 BCADHN O=C([C@@H]1CCOC1)N1CCN2CCC1CC2 ZINC000188665228 357572036 /nfs/dbraw/zinc/57/20/36/357572036.db2.gz VECKMBWNNZZIDM-SNVBAGLBSA-N 0 3 224.304 0.330 20 0 BCADHN CO[C@](C)(CNC[C@H](C)S(C)(=O)=O)C1CC1 ZINC000583199781 357517742 /nfs/dbraw/zinc/51/77/42/357517742.db2.gz HRVNUGCIAQBBAE-GXSJLCMTSA-N 0 3 249.376 0.824 20 0 BCADHN CCOC(=O)CCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188371744 357529024 /nfs/dbraw/zinc/52/90/24/357529024.db2.gz BJLVXNVKZAYPDH-DTWKUNHWSA-N 0 3 246.282 0.146 20 0 BCADHN CC1(C)CN(C(=O)[C@H]2C[C@H](F)CN2)CCO1 ZINC000188387933 357529671 /nfs/dbraw/zinc/52/96/71/357529671.db2.gz UNEKTLMMDGCJEL-DTWKUNHWSA-N 0 3 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Cc1cnn(CC(=O)NCCN2CCCC2)c1 ZINC000055036199 363585345 /nfs/dbraw/zinc/58/53/45/363585345.db2.gz IYHMHPLWIXXKAA-UHFFFAOYSA-N 0 3 236.319 0.404 20 0 BCADHN O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1C[C@H](F)CN1 ZINC000188961051 357605209 /nfs/dbraw/zinc/60/52/09/357605209.db2.gz KTWQFSNFOHSZIY-QEYWKRMJSA-N 0 3 230.283 0.106 20 0 BCADHN CCNS(=O)(=O)N(C)CC1(N(C)C)CCC1 ZINC000189136816 357606271 /nfs/dbraw/zinc/60/62/71/357606271.db2.gz BHVWXLGYXOQWQJ-UHFFFAOYSA-N 0 3 249.380 0.257 20 0 BCADHN CC[C@]1(CO)CCCN1CC(=O)NCC(C)C ZINC000189641960 357650729 /nfs/dbraw/zinc/65/07/29/357650729.db2.gz ZTZGKDZUDLYWPO-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN COC[C@@H](O)CCNCc1ccc(OC)nc1 ZINC000232164233 357652915 /nfs/dbraw/zinc/65/29/15/357652915.db2.gz NIZSXBOZZBDWME-NSHDSACASA-N 0 3 240.303 0.577 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCCCC2)[C@@H]1CO ZINC000189733092 357665601 /nfs/dbraw/zinc/66/56/01/357665601.db2.gz RGPGVYBSHPCNJQ-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN CC(C)CNC(=O)CN[C@@H]1CCO[C@H]1C1CC1 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COC[C@](C)(CO)NC[C@H](OC)C1CCC1 ZINC000639957408 357981900 /nfs/dbraw/zinc/98/19/00/357981900.db2.gz NXSSRRZTTBIVOA-RYUDHWBXSA-N 0 3 231.336 0.789 20 0 BCADHN COC[C@@](C)(CO)NC[C@@H](O)CCOC(C)C ZINC000639958116 357982265 /nfs/dbraw/zinc/98/22/65/357982265.db2.gz PNHFXJOSCCYEOB-NWDGAFQWSA-N 0 3 249.351 0.149 20 0 BCADHN CCC[C@@H](O)CN[C@@](C)(CO)COC ZINC000639959119 357983539 /nfs/dbraw/zinc/98/35/39/357983539.db2.gz YICHAJXNYQSOAZ-ZJUUUORDSA-N 0 3 205.298 0.134 20 0 BCADHN COC[C@](C)(CO)NCCOC1CCOCC1 ZINC000639958541 357983668 /nfs/dbraw/zinc/98/36/68/357983668.db2.gz VBWVYLAUCBOQOI-LBPRGKRZSA-N 0 3 247.335 0.169 20 0 BCADHN COC[C@](C)(CO)NCCOCC1CC1 ZINC000639954777 357986321 /nfs/dbraw/zinc/98/63/21/357986321.db2.gz GFYDCUGPPHIMDM-NSHDSACASA-N 0 3 217.309 0.400 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000584479778 357996634 /nfs/dbraw/zinc/99/66/34/357996634.db2.gz GQEMCJIXOYSTBR-VIFPVBQESA-N 0 3 249.314 0.715 20 0 BCADHN C[C@@H]1CN(c2cc(=O)n(C)cn2)[C@H](C)CN1C ZINC000584480830 357996799 /nfs/dbraw/zinc/99/67/99/357996799.db2.gz POWUJQSJGSHKQZ-NXEZZACHSA-N 0 3 236.319 0.309 20 0 BCADHN C[C@@H]1CC[C@H](CN2CC[C@@H](CO)[C@H](O)C2)O1 ZINC000584493298 358003137 /nfs/dbraw/zinc/00/31/37/358003137.db2.gz QFSWPDIKZFFJHI-WRWGMCAJSA-N 0 3 229.320 0.229 20 0 BCADHN CCc1nnc(NC(=O)CNC2CC2)s1 ZINC000219698891 358005278 /nfs/dbraw/zinc/00/52/78/358005278.db2.gz KRTBVSJZJPLGQN-UHFFFAOYSA-N 0 3 226.305 0.791 20 0 BCADHN NC(=O)CCNCc1cccc2c1OCO2 ZINC000036168503 358012055 /nfs/dbraw/zinc/01/20/55/358012055.db2.gz CNJNZDYOWUWHSB-UHFFFAOYSA-N 0 3 222.244 0.380 20 0 BCADHN COCCOCCN1C[C@H](OC)C[C@]1(C)CO ZINC000639999105 358035632 /nfs/dbraw/zinc/03/56/32/358035632.db2.gz HMBNMGNWEJTKMC-VXGBXAGGSA-N 0 3 247.335 0.121 20 0 BCADHN CC[C@@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000036285528 358019431 /nfs/dbraw/zinc/01/94/31/358019431.db2.gz NUJRJQNADPZVPS-RKDXNWHRSA-N 0 3 200.282 0.137 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@H](C)OC[C@@H]1CC ZINC000036871806 358055777 /nfs/dbraw/zinc/05/57/77/358055777.db2.gz RGUYXKAJAPLAEC-LPEHRKFASA-N 0 3 214.309 0.750 20 0 BCADHN NCC1(C(=O)N[C@@H]2CC[S@@](=O)C2)CCCC1 ZINC000584527948 358041469 /nfs/dbraw/zinc/04/14/69/358041469.db2.gz QNXSDUJWCHOUNK-JDNHERCYSA-N 0 3 244.360 0.143 20 0 BCADHN CC[C@H](COC)NC(=O)NCCN(C)C ZINC000133726636 325314666 /nfs/dbraw/zinc/31/46/66/325314666.db2.gz BUVZZEFDIXDMKO-SECBINFHSA-N 0 3 217.313 0.272 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@@H](CC)C1 ZINC000036871776 358055970 /nfs/dbraw/zinc/05/59/70/358055970.db2.gz FKHAYLXXWNZVTR-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN C[C@@]1(CO)CCCN1CC(=O)N1CCCC1 ZINC000546811810 325312748 /nfs/dbraw/zinc/31/27/48/325312748.db2.gz KVBFISXHBFBGKZ-LBPRGKRZSA-N 0 3 226.320 0.456 20 0 BCADHN C[C@H](N[C@@H]1CCSC1)C(=O)N(C)C ZINC000036794030 358052920 /nfs/dbraw/zinc/05/29/20/358052920.db2.gz HVKUBEPZWBXDMJ-JGVFFNPUSA-N 0 3 202.323 0.558 20 0 BCADHN CCOC(=O)CCN1CCC(NC(C)=O)CC1 ZINC000051580066 358038910 /nfs/dbraw/zinc/03/89/10/358038910.db2.gz WDNAXMDMHNPTQE-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN CC(C)n1cncc1CNCCOCCO ZINC000085187772 134248473 /nfs/dbraw/zinc/24/84/73/134248473.db2.gz STVWBTURLMLENI-UHFFFAOYSA-N 0 3 227.308 0.563 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)CSC)C1 ZINC000610671243 358057833 /nfs/dbraw/zinc/05/78/33/358057833.db2.gz XXIMMYKDILSVAV-RKDXNWHRSA-N 0 3 216.350 0.806 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)CC(F)(F)F ZINC000037664898 358091214 /nfs/dbraw/zinc/09/12/14/358091214.db2.gz VRXXTWFWPSLCQV-ZCFIWIBFSA-N 0 3 212.215 0.990 20 0 BCADHN CO[C@@H]1CN(Cc2cnn(C)c2)[C@@](C)(CO)C1 ZINC000640008789 358075266 /nfs/dbraw/zinc/07/52/66/358075266.db2.gz JWLYMQDRYPGBHP-NWDGAFQWSA-N 0 3 239.319 0.392 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@@H](O)C2CC2)C1 ZINC000668461998 491120536 /nfs/dbraw/zinc/12/05/36/491120536.db2.gz INIZASSEVDTKDF-ONGXEEELSA-N 0 3 226.320 0.215 20 0 BCADHN CN(C)C(=O)CN1CCC[C@H](CCO)C1 ZINC000051896441 358092854 /nfs/dbraw/zinc/09/28/54/358092854.db2.gz GRNSVRJWAQBULL-SNVBAGLBSA-N 0 3 214.309 0.169 20 0 BCADHN CCN(Cc1ccncc1)C(=O)[C@H](C)N ZINC000037822698 358095449 /nfs/dbraw/zinc/09/54/49/358095449.db2.gz WCZHEKHYPVBIPJ-VIFPVBQESA-N 0 3 207.277 0.777 20 0 BCADHN O=C(CN1CCC[C@H](CCO)C1)N1CCC1 ZINC000051917170 358100590 /nfs/dbraw/zinc/10/05/90/358100590.db2.gz OLOPQMMHXNZRPT-LLVKDONJSA-N 0 3 226.320 0.313 20 0 BCADHN COCc1cccc(CNCCC(N)=O)c1 ZINC000037998576 358103455 /nfs/dbraw/zinc/10/34/55/358103455.db2.gz BGSHIGKEDLCOSA-UHFFFAOYSA-N 0 3 222.288 0.798 20 0 BCADHN C[C@@H](N)C(=O)N(C)Cc1cccc(O)c1 ZINC000037824094 358094820 /nfs/dbraw/zinc/09/48/20/358094820.db2.gz SZIYWAWANRRWHQ-MRVPVSSYSA-N 0 3 208.261 0.698 20 0 BCADHN CC[C@@]1(O)CCCN([C@H](C)C(=O)N(C)C)C1 ZINC000640029457 358121720 /nfs/dbraw/zinc/12/17/20/358121720.db2.gz GOWFYNOGXGYCJR-ZYHUDNBSSA-N 0 3 228.336 0.700 20 0 BCADHN CO[C@@H](C)CN1C[C@@H]2C[C@H]1CN2C[C@H](C)OC ZINC000640049238 358134682 /nfs/dbraw/zinc/13/46/82/358134682.db2.gz KFYIOGLDAXQTNB-CYDGBPFRSA-N 0 3 242.363 0.815 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@](O)(CC)C1 ZINC000640033586 358126297 /nfs/dbraw/zinc/12/62/97/358126297.db2.gz STVXKPLRAVAWBO-GFCCVEGCSA-N 0 3 228.336 0.702 20 0 BCADHN CC[C@]1(O)CCCN([C@@H]2CCCNC2=O)C1 ZINC000640034072 358126566 /nfs/dbraw/zinc/12/65/66/358126566.db2.gz SSZCRRIBYKCBQS-PWSUYJOCSA-N 0 3 226.320 0.502 20 0 BCADHN CC[C@@]1(O)CCCN([C@@H]2CCCN(C)C2=O)C1 ZINC000640034684 358127236 /nfs/dbraw/zinc/12/72/36/358127236.db2.gz ATLSWXZDUHWPOQ-DGCLKSJQSA-N 0 3 240.347 0.844 20 0 BCADHN CCOCCN1C[C@@H]2C[C@H]1CN2CCOCC ZINC000640049829 358134958 /nfs/dbraw/zinc/13/49/58/358134958.db2.gz ZQTUMWUXXYEMIJ-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@H](CNC(=O)c1cnn(C)c1)N(C)C1CC1 ZINC000171108671 134257059 /nfs/dbraw/zinc/25/70/59/134257059.db2.gz DCVITSZNJDKHIZ-VIFPVBQESA-N 0 3 236.319 0.633 20 0 BCADHN C[C@H](O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000335757072 491122953 /nfs/dbraw/zinc/12/29/53/491122953.db2.gz BPSLESPOSOGZTM-UWVGGRQHSA-N 0 3 226.320 0.500 20 0 BCADHN OCCCN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640040582 358137923 /nfs/dbraw/zinc/13/79/23/358137923.db2.gz CLPQQRNJVIYHOP-JGVFFNPUSA-N 0 3 227.226 0.471 20 0 BCADHN COc1ccc(CNC[C@H](O)CSC)nc1 ZINC000584775754 358175107 /nfs/dbraw/zinc/17/51/07/358175107.db2.gz RXYZOWJRILZYJY-JTQLQIEISA-N 0 3 242.344 0.904 20 0 BCADHN CCNC(=O)CN1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000640093051 358185263 /nfs/dbraw/zinc/18/52/63/358185263.db2.gz YZXBBARCGPNUBA-TUAOUCFPSA-N 0 3 240.347 0.748 20 0 BCADHN CCOCCN(C)C[C@](C)(O)C(C)=O ZINC000450650778 202224944 /nfs/dbraw/zinc/22/49/44/202224944.db2.gz ZVVXAMJBVPVPHQ-JTQLQIEISA-N 0 3 203.282 0.295 20 0 BCADHN COC(=O)C1(CN2CCN(C)[C@H](C)[C@H]2C)CC1 ZINC000450650290 202225190 /nfs/dbraw/zinc/22/51/90/202225190.db2.gz KAWVWVLMRNMEJE-GHMZBOCLSA-N 0 3 240.347 0.964 20 0 BCADHN COCc1ccc(CNC[C@](C)(O)CO)cc1 ZINC000090286172 491124273 /nfs/dbraw/zinc/12/42/73/491124273.db2.gz MBTRCSHGXBVCQD-ZDUSSCGKSA-N 0 3 239.315 0.666 20 0 BCADHN C[C@H](C(=O)N(CCN(C)C)C1CC1)N(C)C ZINC000640126173 358205293 /nfs/dbraw/zinc/20/52/93/358205293.db2.gz GEQJBDLRVSSDHG-SNVBAGLBSA-N 0 3 227.352 0.489 20 0 BCADHN COC(=O)C1(CN2CCSC[C@@H]2CO)CC1 ZINC000450643220 202221631 /nfs/dbraw/zinc/22/16/31/202221631.db2.gz QQCGMPVONGKYFF-VIFPVBQESA-N 0 3 245.344 0.349 20 0 BCADHN C[C@H](CCS(C)(=O)=O)NCc1cccn1C ZINC000134575643 325365524 /nfs/dbraw/zinc/36/55/24/325365524.db2.gz FAYFGFYCXZCGDJ-SNVBAGLBSA-N 0 3 244.360 0.938 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H](C)C(C)C ZINC000171973481 134263485 /nfs/dbraw/zinc/26/34/85/134263485.db2.gz DTDNCAIXOMDGLV-NSHDSACASA-N 0 3 230.352 0.973 20 0 BCADHN CO[C@H](C)CNC(=O)C[C@H]1CSCCN1 ZINC000223762034 358230472 /nfs/dbraw/zinc/23/04/72/358230472.db2.gz XXROXIYWPUIZAN-BDAKNGLRSA-N 0 3 232.349 0.233 20 0 BCADHN O=C(CNC1CC1)NCC[C@@H]1CCCCO1 ZINC000224091300 358231435 /nfs/dbraw/zinc/23/14/35/358231435.db2.gz NIKQFSNPVZYEIN-NSHDSACASA-N 0 3 226.320 0.814 20 0 BCADHN Cn1ccnc1[C@@H](NC(=O)CN)c1ccccc1 ZINC000040428832 358235730 /nfs/dbraw/zinc/23/57/30/358235730.db2.gz RSEKQGATUPXARX-LBPRGKRZSA-N 0 3 244.298 0.584 20 0 BCADHN C[C@@H]1CCO[C@@H]1C(=O)N(C)CCN(C)C1CC1 ZINC000450704531 202238230 /nfs/dbraw/zinc/23/82/30/202238230.db2.gz VNHMVBDVRSRDMQ-PWSUYJOCSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N[C@H](C)[C@@H](C)CO ZINC000450732718 202250068 /nfs/dbraw/zinc/25/00/68/202250068.db2.gz KAHYFAGDBSCTJT-AXFHLTTASA-N 0 3 230.352 0.848 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)[C@H](C)CO ZINC000450732721 202249028 /nfs/dbraw/zinc/24/90/28/202249028.db2.gz KAHYFAGDBSCTJT-VWYCJHECSA-N 0 3 230.352 0.848 20 0 BCADHN CCC[C@@H](O)CN1CC[C@H](NC(=O)NC)C1 ZINC000450757842 202259032 /nfs/dbraw/zinc/25/90/32/202259032.db2.gz LPLUQWGPSPIGDE-VHSXEESVSA-N 0 3 229.324 0.151 20 0 BCADHN COC1(CN[C@@H](C)CS(C)(=O)=O)CCC1 ZINC000134718119 325372955 /nfs/dbraw/zinc/37/29/55/325372955.db2.gz RPJHUKNXVRGTRZ-VIFPVBQESA-N 0 3 235.349 0.578 20 0 BCADHN CN(CCN(C)C1CC1)C[C@@H]1COCCO1 ZINC000450761215 202257764 /nfs/dbraw/zinc/25/77/64/202257764.db2.gz RRKZZWWTUYRSEK-GFCCVEGCSA-N 0 3 228.336 0.428 20 0 BCADHN [NH3+]C[C@@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC000041161765 358301495 /nfs/dbraw/zinc/30/14/95/358301495.db2.gz SSGZRARFHYSTLO-SECBINFHSA-N 0 3 236.271 0.192 20 0 BCADHN CN(C)CCn1ccc(C(=O)NC2CCC2)n1 ZINC000578203156 366387650 /nfs/dbraw/zinc/38/76/50/366387650.db2.gz JECPKXGXLPOICZ-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN CCOCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252668147 535417493 /nfs/dbraw/zinc/41/74/93/535417493.db2.gz SMWYINWIAFDXCY-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN CN[C@@H](C)C(=O)NC(C)(C)c1noc(C)n1 ZINC000578205671 366391636 /nfs/dbraw/zinc/39/16/36/366391636.db2.gz WZEDTEDNCCZCTO-LURJTMIESA-N 0 3 226.280 0.337 20 0 BCADHN CN1CCC[C@@H](N2C[C@@H](O)C3(CC3)C2)C1=O ZINC000547645472 325378265 /nfs/dbraw/zinc/37/82/65/325378265.db2.gz GUAXFMGLTVKUTP-NXEZZACHSA-N 0 3 224.304 0.064 20 0 BCADHN CC(C(=O)N1CCC[C@@H]1C)S(C)(=O)=O ZINC000173132691 134273976 /nfs/dbraw/zinc/27/39/76/134273976.db2.gz PVYQZYISLLAJLK-YUMQZZPRSA-N 0 3 219.306 0.430 20 0 BCADHN CO[C@H](CN)C(=O)N(C)CCc1ccccn1 ZINC000227346548 358354359 /nfs/dbraw/zinc/35/43/59/358354359.db2.gz CNIYUSSJTVRXJJ-LLVKDONJSA-N 0 3 237.303 0.056 20 0 BCADHN CN(C1CNC1)S(=O)(=O)Cc1ccccc1 ZINC000085257868 134272028 /nfs/dbraw/zinc/27/20/28/134272028.db2.gz DVLQZEQGBSPCBI-UHFFFAOYSA-N 0 3 240.328 0.420 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](C)C[S@@](C)=O ZINC000229001712 358344248 /nfs/dbraw/zinc/34/42/48/358344248.db2.gz OIYFAPNCTROQMY-UYNUJQBQSA-N 0 3 234.365 0.387 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000227377862 358354701 /nfs/dbraw/zinc/35/47/01/358354701.db2.gz HFUGIAUHJQSLDD-WCBMZHEXSA-N 0 3 242.344 0.769 20 0 BCADHN COC(=O)[C@](C)(O)CN1C[C@H](C)S[C@@H](C)C1 ZINC000227071257 358348400 /nfs/dbraw/zinc/34/84/00/358348400.db2.gz KRVZWJOXMWKBRT-ATZCPNFKSA-N 0 3 247.360 0.736 20 0 BCADHN Cc1noc(C)c1CNC(=O)[C@@]1(F)CCNC1 ZINC000153421895 491129437 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/nfs/dbraw/zinc/79/02/40/358790240.db2.gz BCSDZERTPDUDHM-SNVBAGLBSA-N 0 3 241.335 0.243 20 0 BCADHN C[C@H](N[C@@H]1CCO[C@H]1C)C(=O)N1CCCC1 ZINC000134547418 358795442 /nfs/dbraw/zinc/79/54/42/358795442.db2.gz WUDAMBCRVOKBQL-GARJFASQSA-N 0 3 226.320 0.764 20 0 BCADHN COCCN(C)CCNC(=O)N1CCC[C@H]1C ZINC000176439946 134291917 /nfs/dbraw/zinc/29/19/17/134291917.db2.gz DJUBJCGDHNNXHN-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN CCN1CCN(CCC(=O)NCCCF)CC1 ZINC000578272462 366473094 /nfs/dbraw/zinc/47/30/94/366473094.db2.gz ZHXJEKGVCVOKKM-UHFFFAOYSA-N 0 3 245.342 0.490 20 0 BCADHN Cc1ccncc1CN[C@H]1CCC(=O)NC1 ZINC000135460826 358839934 /nfs/dbraw/zinc/83/99/34/358839934.db2.gz HMEMOSNEHUKKLE-NSHDSACASA-N 0 3 219.288 0.758 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCO[C@@H](C)C1 ZINC000308579424 491137187 /nfs/dbraw/zinc/13/71/87/491137187.db2.gz FYSDQFNUKSIVJT-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN Cn1nncc1CNCCN1CCCCCC1 ZINC000135850893 358852494 /nfs/dbraw/zinc/85/24/94/358852494.db2.gz 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359066126 /nfs/dbraw/zinc/06/61/26/359066126.db2.gz WLKVOSUVEZUCIF-VIFPVBQESA-N 0 3 202.298 0.478 20 0 BCADHN CCCN(CCC)CC(=O)NCCC(=O)OC ZINC000070926661 359066347 /nfs/dbraw/zinc/06/63/47/359066347.db2.gz KPVDVESQYVVEMF-UHFFFAOYSA-N 0 3 244.335 0.788 20 0 BCADHN CC(C)(O)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000070939774 359066710 /nfs/dbraw/zinc/06/67/10/359066710.db2.gz WDSMXYWSZPGZIB-GFCCVEGCSA-N 0 3 242.363 0.411 20 0 BCADHN NC(=O)c1ccc(NCCN2CCCCC2)nn1 ZINC000075046573 181299687 /nfs/dbraw/zinc/29/96/87/181299687.db2.gz JFZMFHAHVBEINF-UHFFFAOYSA-N 0 3 249.318 0.473 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000246443926 359088099 /nfs/dbraw/zinc/08/80/99/359088099.db2.gz CGNXFTRTIXJVDK-DMDPSCGWSA-N 0 3 240.347 0.461 20 0 BCADHN CC(C)[C@H](C(=O)NCC(F)F)N(C)C ZINC000073157385 359096594 /nfs/dbraw/zinc/09/65/94/359096594.db2.gz JUGBOHKBBAABRD-MRVPVSSYSA-N 0 3 208.252 0.954 20 0 BCADHN CN(C)[C@H](CNC(N)=O)Cc1ccccc1 ZINC000073478207 359101908 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CEZBTLLGJMTDML-SECBINFHSA-N 0 3 216.325 0.868 20 0 BCADHN COCCCN1C[C@H](CO)OC(C)(C)C1 ZINC000158743763 361211215 /nfs/dbraw/zinc/21/12/15/361211215.db2.gz KVBJLGRQQUCZHU-SNVBAGLBSA-N 0 3 217.309 0.495 20 0 BCADHN NC1(C(=O)NC[C@@H](O)Cc2ccccc2)CCC1 ZINC000296981180 181326063 /nfs/dbraw/zinc/32/60/63/181326063.db2.gz VIBGRJALQBVPCM-LBPRGKRZSA-N 0 3 248.326 0.588 20 0 BCADHN COCCCN(C)CCN1CCCC1=O ZINC000066378598 361217772 /nfs/dbraw/zinc/21/77/72/361217772.db2.gz OREIYIOCKFEJAF-UHFFFAOYSA-N 0 3 214.309 0.577 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@@H](N)[C@@H](C)CC ZINC000159139959 361223631 /nfs/dbraw/zinc/22/36/31/361223631.db2.gz WQTUJPPDTHKDQW-AEJSXWLSSA-N 0 3 216.325 0.637 20 0 BCADHN Cc1noc(C)c1CCN1C[C@H]2C[C@@]2(O)C1 ZINC000640484247 361274736 /nfs/dbraw/zinc/27/47/36/361274736.db2.gz ZMTWYPFSSKUKDE-ZYHUDNBSSA-N 0 3 222.288 0.901 20 0 BCADHN O=C1[C@H](N2C[C@H]3C[C@@]3(O)C2)CCN1C1CCC1 ZINC000640484696 361276232 /nfs/dbraw/zinc/27/62/32/361276232.db2.gz DSALTNOEFRJIPK-IRUJWGPZSA-N 0 3 236.315 0.206 20 0 BCADHN CC(C)CC[C@H](O)CN1C[C@H]2C[C@@]2(O)C1 ZINC000640485528 361278968 /nfs/dbraw/zinc/27/89/68/361278968.db2.gz HWKKFYCNBNYUSD-GRYCIOLGSA-N 0 3 213.321 0.850 20 0 BCADHN CNC(=O)CCN1CCC(O)(C(F)F)CC1 ZINC000426266505 200978638 /nfs/dbraw/zinc/97/86/38/200978638.db2.gz YJBNASDXWSPLQU-UHFFFAOYSA-N 0 3 236.262 0.215 20 0 BCADHN O[C@]12C[C@H]1CN(CCO[C@@H]1CCCCO1)C2 ZINC000640479034 361254836 /nfs/dbraw/zinc/25/48/36/361254836.db2.gz CNJKZWXGXFKOLW-TUAOUCFPSA-N 0 3 227.304 0.596 20 0 BCADHN NC1(C(=O)NCc2cccc3c2OCO3)CCC1 ZINC000148071451 181327806 /nfs/dbraw/zinc/32/78/06/181327806.db2.gz LRMKDEVDJAJDSD-UHFFFAOYSA-N 0 3 248.282 0.913 20 0 BCADHN O=C(CCN1C[C@H]2C[C@@]2(O)C1)Nc1cccnc1 ZINC000640485950 361270024 /nfs/dbraw/zinc/27/00/24/361270024.db2.gz KDYWKKOLCBJTIU-ZWNOBZJWSA-N 0 3 247.298 0.477 20 0 BCADHN O[C@H](CC1CCCC1)CN1C[C@H]2C[C@@]2(O)C1 ZINC000640486529 361271682 /nfs/dbraw/zinc/27/16/82/361271682.db2.gz MMLYYJDYOOICKV-JHJVBQTASA-N 0 3 225.332 0.994 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CCCC[C@H]1CN(C)C ZINC000579067875 366703120 /nfs/dbraw/zinc/70/31/20/366703120.db2.gz QKTLROOFDWNSOZ-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H]1CC(C)(C)CN1CC(=O)N1CCNC1=O ZINC000579084594 366707895 /nfs/dbraw/zinc/70/78/95/366707895.db2.gz WQWARHMXULHNGA-SECBINFHSA-N 0 3 239.319 0.659 20 0 BCADHN C[C@@H](CO)CCCNC(=O)CN1CC[C@H](C)C1 ZINC000579022883 366695694 /nfs/dbraw/zinc/69/56/94/366695694.db2.gz DGJVNPUHQJJGKC-NWDGAFQWSA-N 0 3 242.363 0.853 20 0 BCADHN CCn1ncnc1CN1CCNC[C@@H]1C(F)F ZINC000579008394 366695791 /nfs/dbraw/zinc/69/57/91/366695791.db2.gz SONCTUXFYMAGTI-MRVPVSSYSA-N 0 3 245.277 0.337 20 0 BCADHN Cc1cc(CN2CC[C@@H]([C@@H](C)O)C2)ncn1 ZINC000428350688 201010427 /nfs/dbraw/zinc/01/04/27/201010427.db2.gz FMWIYFZOEWJDQP-GHMZBOCLSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1nc(CN2CCC[C@@H]2C(C)(C)O)n[nH]1 ZINC000428374051 201011753 /nfs/dbraw/zinc/01/17/53/201011753.db2.gz PFXGRRXIPFOSJO-SECBINFHSA-N 0 3 224.308 0.848 20 0 BCADHN 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CC1=C(C(=O)N[C@H](CO)CN(C)C)CCC1 ZINC000614845818 363995095 /nfs/dbraw/zinc/99/50/95/363995095.db2.gz FBPRRKNYOIXULU-JTQLQIEISA-N 0 3 226.320 0.526 20 0 BCADHN NCC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000178085404 181353075 /nfs/dbraw/zinc/35/30/75/181353075.db2.gz MORMECPEXKOCTR-WCQYABFASA-N 0 3 234.299 0.982 20 0 BCADHN Cc1ccncc1C(=O)N[C@H](CO)CN(C)C ZINC000614850512 364001919 /nfs/dbraw/zinc/00/19/19/364001919.db2.gz ZEZQGVWLNPOHGJ-JTQLQIEISA-N 0 3 237.303 0.042 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000614859373 364014815 /nfs/dbraw/zinc/01/48/15/364014815.db2.gz YQJUYRXGTBHMPG-NNYUYHANSA-N 0 3 240.347 0.461 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)c1ccoc1Cl ZINC000614851700 364005335 /nfs/dbraw/zinc/00/53/35/364005335.db2.gz KMJBZKMFGMPOBY-SSDOTTSWSA-N 0 3 246.694 0.585 20 0 BCADHN C[C@@H]1CCC[C@H]1CC(=O)N[C@H](CO)CN(C)C ZINC000614851942 364007176 /nfs/dbraw/zinc/00/71/76/364007176.db2.gz MQELPADZUYIEHG-WOPDTQHZSA-N 0 3 242.363 0.851 20 0 BCADHN 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C[C@@H](C(=O)N[C@H](CO)CN(C)C)C(C)(C)C ZINC000614855014 364010818 /nfs/dbraw/zinc/01/08/18/364010818.db2.gz ULAYWQQESHXWOH-UWVGGRQHSA-N 0 3 230.352 0.707 20 0 BCADHN NCC(=O)NCc1nc2ccccc2s1 ZINC000040432179 181353566 /nfs/dbraw/zinc/35/35/66/181353566.db2.gz TWWLBTFOEGXPQR-UHFFFAOYSA-N 0 3 221.285 0.871 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@@]1(C)CC1(F)F ZINC000614858048 364012611 /nfs/dbraw/zinc/01/26/11/364012611.db2.gz LMQKICCPRGDSIG-VXNVDRBHSA-N 0 3 236.262 0.070 20 0 BCADHN NCC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000040430801 181354606 /nfs/dbraw/zinc/35/46/06/181354606.db2.gz DRXKJESQJYNFLX-UHFFFAOYSA-N 0 3 230.271 0.447 20 0 BCADHN NCC(=O)NCc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000376203978 181353754 /nfs/dbraw/zinc/35/37/54/181353754.db2.gz VDFMSDCSARDNPL-UHFFFAOYSA-N 0 3 248.261 0.791 20 0 BCADHN C[C@@H](C(=O)N[C@@H](CO)CN(C)C)C(C)(F)F ZINC000614842099 363989679 /nfs/dbraw/zinc/98/96/79/363989679.db2.gz JDCVPPVLEHAURL-JGVFFNPUSA-N 0 3 238.278 0.316 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1c(Cl)cnn1C ZINC000614838074 363990401 /nfs/dbraw/zinc/99/04/01/363990401.db2.gz BKJWMYUJKTWRFX-ZETCQYMHSA-N 0 3 244.726 0.753 20 0 BCADHN Cc1csc(C(=O)N[C@@H](CO)CN(C)C)c1 ZINC000614842494 363990533 /nfs/dbraw/zinc/99/05/33/363990533.db2.gz NURFXLFWNZHXOM-SECBINFHSA-N 0 3 242.344 0.709 20 0 BCADHN CC[C@@H]1CCC[C@@H]1C(=O)N[C@H](CO)CN(C)C ZINC000614842527 363990800 /nfs/dbraw/zinc/99/08/00/363990800.db2.gz OMJQQTUKXCACPE-WOPDTQHZSA-N 0 3 242.363 0.851 20 0 BCADHN COCCCOCCC(=O)N[C@@H](C)CN(C)C ZINC000614840208 363991061 /nfs/dbraw/zinc/99/10/61/363991061.db2.gz YHRXLXDAAJRSQM-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CC(C)CCCC(=O)N[C@H](CO)CN(C)C ZINC000614842507 363991514 /nfs/dbraw/zinc/99/15/14/363991514.db2.gz OBERSWSIJMXFHD-NSHDSACASA-N 0 3 230.352 0.851 20 0 BCADHN COCCC(=O)NC[C@H]1CCCN1C ZINC000170727527 364070713 /nfs/dbraw/zinc/07/07/13/364070713.db2.gz WTMWPAZUHAYXCL-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN CN(C)CCNC(=O)c1cnn(CC2CC2)c1 ZINC000630408887 364140453 /nfs/dbraw/zinc/14/04/53/364140453.db2.gz VEZCZEUOUAFYNJ-UHFFFAOYSA-N 0 3 236.319 0.585 20 0 BCADHN CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000630397548 364124309 /nfs/dbraw/zinc/12/43/09/364124309.db2.gz ZUCBCYZTERISKV-JTQLQIEISA-N 0 3 211.309 0.932 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1cncnc1 ZINC000622098780 370707017 /nfs/dbraw/zinc/70/70/17/370707017.db2.gz RACLBCMQIFMMTO-UHFFFAOYSA-N 0 3 222.292 0.547 20 0 BCADHN CN(C)CC(C)(C)NC(=O)[C@@H]1CCCC(=O)N1 ZINC000622098484 370707335 /nfs/dbraw/zinc/70/73/35/370707335.db2.gz DOGGLDPBAADLIZ-VIFPVBQESA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@H](C(=O)NC(C)(C)CN(C)C)[C@H](C)O ZINC000622098954 370707545 /nfs/dbraw/zinc/70/75/45/370707545.db2.gz YFTJJKDEFHUIBY-UWVGGRQHSA-N 0 3 230.352 0.850 20 0 BCADHN CN(C)CC(C)(C)NC(=O)C[C@H]1CCOC1 ZINC000622098834 370707608 /nfs/dbraw/zinc/70/76/08/370707608.db2.gz SWVOEELKNQZTCN-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CCCNC(=O)c1cnn(CCN(C)C)c1 ZINC000630428732 364156662 /nfs/dbraw/zinc/15/66/62/364156662.db2.gz QERWTEOJLVCUQV-UHFFFAOYSA-N 0 3 224.308 0.585 20 0 BCADHN CN1CCCN(C(=O)CCC2(O)CCC2)CC1 ZINC000630434382 364161734 /nfs/dbraw/zinc/16/17/34/364161734.db2.gz SEKOUYJOVMMBIG-UHFFFAOYSA-N 0 3 240.347 0.846 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCC[C@@H](O)[C@H]1C)N(C)C ZINC000452708920 202636387 /nfs/dbraw/zinc/63/63/87/202636387.db2.gz BJAYAEUKZZPLLV-UTUOFQBUSA-N 0 3 242.363 0.944 20 0 BCADHN COCC[C@@H](C)N1CCN(C[C@@H](C)O)CC1 ZINC000444684138 541342753 /nfs/dbraw/zinc/34/27/53/541342753.db2.gz KPFDOCDPJXATTN-VXGBXAGGSA-N 0 3 230.352 0.410 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@@H](CC)[C@H](C)O)C1 ZINC000622176897 370748962 /nfs/dbraw/zinc/74/89/62/370748962.db2.gz IIZYWGCKTTYQCN-SRVKXCTJSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@H](CC)[C@H](C)O)C1 ZINC000622176896 370749035 /nfs/dbraw/zinc/74/90/35/370749035.db2.gz IIZYWGCKTTYQCN-SDDRHHMPSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCOC1)N(C)C1CC1 ZINC000068195919 370752488 /nfs/dbraw/zinc/75/24/88/370752488.db2.gz LBWWEAAMBKGLAW-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCOC1)N(C)C1CC1 ZINC000068195918 370753021 /nfs/dbraw/zinc/75/30/21/370753021.db2.gz LBWWEAAMBKGLAW-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](CNC(=O)[C@@H](C)OCC1CC1)N(C)C ZINC000068286010 370768759 /nfs/dbraw/zinc/76/87/59/370768759.db2.gz VPONDBODPNPMMD-NXEZZACHSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H](N)C2CCC2)[C@@H](C)O1 ZINC000398950971 364277662 /nfs/dbraw/zinc/27/76/62/364277662.db2.gz DIIDESKMSIRIMR-HZQMYPQZSA-N 0 3 226.320 0.796 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H](N)C2CCC2)[C@H](C)O1 ZINC000398950975 364277674 /nfs/dbraw/zinc/27/76/74/364277674.db2.gz DIIDESKMSIRIMR-YKDSUIRESA-N 0 3 226.320 0.796 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](C)[C@H](CO)C1 ZINC000622225660 370775539 /nfs/dbraw/zinc/77/55/39/370775539.db2.gz MKWJNALBYXVBOK-RYUDHWBXSA-N 0 3 242.363 0.805 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000622225661 370775976 /nfs/dbraw/zinc/77/59/76/370775976.db2.gz MKWJNALBYXVBOK-VXGBXAGGSA-N 0 3 242.363 0.805 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](C)[C@H](CO)C1 ZINC000622226386 370776119 /nfs/dbraw/zinc/77/61/19/370776119.db2.gz WNZFYEVNBXFDHR-RYUDHWBXSA-N 0 3 242.363 0.805 20 0 BCADHN CN(CCNS(N)(=O)=O)C1CCCCC1 ZINC000068346376 370779063 /nfs/dbraw/zinc/77/90/63/370779063.db2.gz VBVWCAXBYPAXGL-UHFFFAOYSA-N 0 3 235.353 0.044 20 0 BCADHN CC[C@@H](NC(C)=O)C(=O)NCCN1CCCC1 ZINC000630574490 364270487 /nfs/dbraw/zinc/27/04/87/364270487.db2.gz QZHDBIHBEMKWQY-LLVKDONJSA-N 0 3 241.335 0.113 20 0 BCADHN Cc1conc1C(=O)NCCN1CCCC1 ZINC000630573011 364270647 /nfs/dbraw/zinc/27/06/47/364270647.db2.gz BQSQKMYFWSGWEV-UHFFFAOYSA-N 0 3 223.276 0.809 20 0 BCADHN CC[C@](C)(N)c1cn(C[C@@H]2COCCO2)nn1 ZINC000630600917 364319875 /nfs/dbraw/zinc/31/98/75/364319875.db2.gz FCXUFZDIILJAGG-KOLCDFICSA-N 0 3 240.307 0.277 20 0 BCADHN CCC[C@H](N)c1cn(C[C@@H]2COCCO2)nn1 ZINC000630601264 364321820 /nfs/dbraw/zinc/32/18/20/364321820.db2.gz ILZXDSSFDWNAHR-ZJUUUORDSA-N 0 3 240.307 0.493 20 0 BCADHN COC[C@@]1(C)C[C@@H]1n1cc(CCN(C)C)nn1 ZINC000630606584 364329968 /nfs/dbraw/zinc/32/99/68/364329968.db2.gz LDLYXGGMEIXTQA-NWDGAFQWSA-N 0 3 238.335 0.980 20 0 BCADHN COC[C@]1(C)C[C@H]1n1cc(CCN(C)C)nn1 ZINC000630606583 364330333 /nfs/dbraw/zinc/33/03/33/364330333.db2.gz LDLYXGGMEIXTQA-NEPJUHHUSA-N 0 3 238.335 0.980 20 0 BCADHN COC[C@H](N)Cc1cn(-c2cccnc2)nn1 ZINC000630585523 364293250 /nfs/dbraw/zinc/29/32/50/364293250.db2.gz NDSMSSYXTMMZOI-SECBINFHSA-N 0 3 233.275 0.179 20 0 BCADHN COC[C@@H](N)Cc1cn(Cc2ccccc2)nn1 ZINC000630585641 364293549 /nfs/dbraw/zinc/29/35/49/364293549.db2.gz PLCWOPGJJLIFAY-LBPRGKRZSA-N 0 3 246.314 0.843 20 0 BCADHN COC[C@@H](N)Cc1cn(CC(C)C)nn1 ZINC000630587627 364295367 /nfs/dbraw/zinc/29/53/67/364295367.db2.gz MCZZVHNVQQAMOD-VIFPVBQESA-N 0 3 212.297 0.450 20 0 BCADHN CCCCn1cc(C[C@H](N)COC)nn1 ZINC000630588172 364295722 /nfs/dbraw/zinc/29/57/22/364295722.db2.gz ZFSWSHIBMLQOEW-VIFPVBQESA-N 0 3 212.297 0.594 20 0 BCADHN CC(C)C[C@@H]1CCN(CCNS(C)(=O)=O)C1 ZINC000074994445 364301679 /nfs/dbraw/zinc/30/16/79/364301679.db2.gz OGHHPHPQXAUKCN-NSHDSACASA-N 0 3 248.392 0.904 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2ccon2)nn1 ZINC000630598045 364313008 /nfs/dbraw/zinc/31/30/08/364313008.db2.gz JNTKDZURIFBYPR-JTQLQIEISA-N 0 3 221.264 0.898 20 0 BCADHN CC(C)O[C@@H]1C[C@H](N[C@@H]2COC[C@@H]2O)C1(C)C ZINC000631676179 364398576 /nfs/dbraw/zinc/39/85/76/364398576.db2.gz WSIVVEATRBVNRS-NOOOWODRSA-N 0 3 243.347 0.928 20 0 BCADHN CNC(=O)[C@@H](N[C@@H]1CCOC1)C(C)C ZINC000134829915 364415100 /nfs/dbraw/zinc/41/51/00/364415100.db2.gz LEFMDPBEPBIKTK-BDAKNGLRSA-N 0 3 200.282 0.136 20 0 BCADHN Cc1oc(C(=O)NC[C@H](C)N(C)C)cc1CO ZINC000630714769 364489268 /nfs/dbraw/zinc/48/92/68/364489268.db2.gz AMZTXGSJNNPWHE-QMMMGPOBSA-N 0 3 240.303 0.760 20 0 BCADHN Cc1conc1C(=O)NC[C@H](C)N(C)C ZINC000630715197 364492856 /nfs/dbraw/zinc/49/28/56/364492856.db2.gz DDALGESGLPOCDD-QMMMGPOBSA-N 0 3 211.265 0.663 20 0 BCADHN CCOC(C)(C)C(=O)NC[C@@H](C)N(C)C ZINC000630717467 364497627 /nfs/dbraw/zinc/49/76/27/364497627.db2.gz XMLXHUXNTVIXCE-SECBINFHSA-N 0 3 216.325 0.868 20 0 BCADHN CN(C)CCn1cc(C(=O)N(C)C2CC2)cn1 ZINC000630719644 364502120 /nfs/dbraw/zinc/50/21/20/364502120.db2.gz SFYNUZHTIWBNLI-UHFFFAOYSA-N 0 3 236.319 0.679 20 0 BCADHN CC[C@H]1NC(=O)N(CCN2CCCCC2)C1=O ZINC000182067579 366863165 /nfs/dbraw/zinc/86/31/65/366863165.db2.gz YHZIYURTHZMVRU-SNVBAGLBSA-N 0 3 239.319 0.803 20 0 BCADHN O=C(NCCN1CCCCC1)C1CSC1 ZINC000630744271 364531777 /nfs/dbraw/zinc/53/17/77/364531777.db2.gz ZTTCSCLIYVAZRJ-UHFFFAOYSA-N 0 3 228.361 0.952 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCCN(C[C@@H]2C[C@@H]2C)C1 ZINC000579544862 366859171 /nfs/dbraw/zinc/85/91/71/366859171.db2.gz JSOKZXNXFQHCTR-GARJFASQSA-N 0 3 246.376 0.656 20 0 BCADHN Cc1nccnc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000615182849 364607855 /nfs/dbraw/zinc/60/78/55/364607855.db2.gz LRYGRJBRWCOQTH-WDEREUQCSA-N 0 3 246.314 0.561 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ncc[nH]3)[C@H]2C1 ZINC000615185893 364609079 /nfs/dbraw/zinc/60/90/79/364609079.db2.gz LBSIRMLIOCVYDC-BDAKNGLRSA-N 0 3 220.276 0.186 20 0 BCADHN CC[C@H](CO)NC(=O)NC[C@H]1CCCN(C)C1 ZINC000180902498 541368808 /nfs/dbraw/zinc/36/88/08/541368808.db2.gz ZIISNFMSCGCVJS-GHMZBOCLSA-N 0 3 243.351 0.398 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@](C)(O)C(C)C)C1 ZINC000619898688 364702917 /nfs/dbraw/zinc/70/29/17/364702917.db2.gz UGTSGPFRFQRPIL-WCQYABFASA-N 0 3 242.363 0.994 20 0 BCADHN CN(C)c1ccc(CNC(=O)C2(N)CCC2)cn1 ZINC000573319925 364796873 /nfs/dbraw/zinc/79/68/73/364796873.db2.gz CULASXMBPSDTBV-UHFFFAOYSA-N 0 3 248.330 0.645 20 0 BCADHN CCCN1CC[C@H](NC(=O)c2ccncn2)C1 ZINC000619902125 364755895 /nfs/dbraw/zinc/75/58/95/364755895.db2.gz AEYZUPNQTIGVMC-JTQLQIEISA-N 0 3 234.303 0.691 20 0 BCADHN Cc1[nH]ccc1C(=O)N1CCN(C)C[C@@H]1CN ZINC000573564735 364863439 /nfs/dbraw/zinc/86/34/39/364863439.db2.gz MTOAFPJBHLELAX-JTQLQIEISA-N 0 3 236.319 0.038 20 0 BCADHN Cc1ccnc(CNC[C@@H](O)CN(C)C2CC2)c1 ZINC000328306439 364825155 /nfs/dbraw/zinc/82/51/55/364825155.db2.gz VSIZZLBFECJQMG-CQSZACIVSA-N 0 3 249.358 0.935 20 0 BCADHN CC/C=C\CNC(=O)N1CCCNCC1 ZINC000573429754 364829660 /nfs/dbraw/zinc/82/96/60/364829660.db2.gz VNZWAKXEZYBMSL-ARJAWSKDSA-N 0 3 211.309 0.958 20 0 BCADHN O=C(NC[C@H]1CNCCO1)[C@H]1CC12CCCC2 ZINC000573475802 364843004 /nfs/dbraw/zinc/84/30/04/364843004.db2.gz BAGMFWLHVLTBDR-GHMZBOCLSA-N 0 3 238.331 0.671 20 0 BCADHN C[C@@H](Cc1cnn(C)c1)NCc1ccn(C)n1 ZINC000573588644 364870110 /nfs/dbraw/zinc/87/01/10/364870110.db2.gz LBELQSPGZSCMDI-JTQLQIEISA-N 0 3 233.319 0.874 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@@H]1C[C@H](O)C1(C)C ZINC000168219295 364883325 /nfs/dbraw/zinc/88/33/25/364883325.db2.gz IJJZNZVMLGGTRZ-AEJSXWLSSA-N 0 3 228.336 0.650 20 0 BCADHN CN(C(=O)CN[C@H]1C[C@H](O)C1(C)C)C1CC1 ZINC000168224453 364883969 /nfs/dbraw/zinc/88/39/69/364883969.db2.gz IGILSJLIAUFNLA-UWVGGRQHSA-N 0 3 226.320 0.356 20 0 BCADHN CCN1CCN(CC[C@H]2CCNC2=O)CC1 ZINC000573664613 364886643 /nfs/dbraw/zinc/88/66/43/364886643.db2.gz JFWVYGFWPHYBGK-LLVKDONJSA-N 0 3 225.336 0.150 20 0 BCADHN CCC[C@H](C)[C@H](CO)NCC(=O)N(C)C1CC1 ZINC000573687982 364893202 /nfs/dbraw/zinc/89/32/02/364893202.db2.gz GVJHQSQIKRTCOE-JQWIXIFHSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCC[C@@]12CCNC2=O ZINC000573695583 364895289 /nfs/dbraw/zinc/89/52/89/364895289.db2.gz OCJGVJAALKRUII-GWCFXTLKSA-N 0 3 240.347 0.748 20 0 BCADHN CCOC(=O)CC[C@@H](C)NC(=O)CNC(C)C ZINC000573699667 364898419 /nfs/dbraw/zinc/89/84/19/364898419.db2.gz OUCHWEQPUDDVEB-SNVBAGLBSA-N 0 3 244.335 0.832 20 0 BCADHN CO[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000573710655 364898785 /nfs/dbraw/zinc/89/87/85/364898785.db2.gz RECGTDLOUWOMRN-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000573719419 364900893 /nfs/dbraw/zinc/90/08/93/364900893.db2.gz NSFTZDKQHAOBIV-MXWKQRLJSA-N 0 3 226.320 0.798 20 0 BCADHN COCC1(CC(=O)NCCN(C)C)CC1 ZINC000573727670 364903745 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239.363 0.540 20 0 BCADHN CC(C)(O)CNCC1(S(C)(=O)=O)CCC1 ZINC000574686131 365119930 /nfs/dbraw/zinc/11/99/30/365119930.db2.gz JYNDDGLPTVIDEY-UHFFFAOYSA-N 0 3 235.349 0.314 20 0 BCADHN CCC[C@@](C)(O)C(=O)NCCN(C)C ZINC000443390333 193018889 /nfs/dbraw/zinc/01/88/89/193018889.db2.gz UCUYNNRLZGALKJ-SNVBAGLBSA-N 0 3 202.298 0.215 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)CNC1CC1 ZINC000575052942 365179050 /nfs/dbraw/zinc/17/90/50/365179050.db2.gz UTDNSWRCZSMPDI-YUMQZZPRSA-N 0 3 200.282 0.278 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)CCCO)N(C)C ZINC000442990950 193008555 /nfs/dbraw/zinc/00/85/55/193008555.db2.gz JIGHDURVYAGZDO-JTQLQIEISA-N 0 3 216.325 0.413 20 0 BCADHN CO[C@@H](C)CNCc1ccc(C(=O)N(C)C)[nH]1 ZINC000443007057 193010633 /nfs/dbraw/zinc/01/06/33/193010633.db2.gz LHFBVYOWWDKTQS-VIFPVBQESA-N 0 3 239.319 0.841 20 0 BCADHN CCOC[C@H](O)CNCc1ccc(OC)cn1 ZINC000574804309 365147421 /nfs/dbraw/zinc/14/74/21/365147421.db2.gz YGQQCPWRGYDTLL-LLVKDONJSA-N 0 3 240.303 0.577 20 0 BCADHN 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0 3 245.323 0.054 20 0 BCADHN CC[C@H](O)CN[C@@H](CO)CC(F)(F)F ZINC000575868765 365396473 /nfs/dbraw/zinc/39/64/73/365396473.db2.gz KYMHHKMPSSCTEJ-RQJHMYQMSA-N 0 3 215.215 0.660 20 0 BCADHN CC(C)[C@H](C(=O)N1Cc2cncnc2C1)N(C)C ZINC000575934383 365420795 /nfs/dbraw/zinc/42/07/95/365420795.db2.gz LXLVDNQADMVHQL-GFCCVEGCSA-N 0 3 248.330 0.905 20 0 BCADHN C[C@H](O)CCN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000575811846 365370439 /nfs/dbraw/zinc/37/04/39/365370439.db2.gz DZYFLBPKTWEWOM-VHSXEESVSA-N 0 3 214.309 0.310 20 0 BCADHN CCN1CCC(NC(=O)N[C@@H]2CCOC2)CC1 ZINC000337587092 365406271 /nfs/dbraw/zinc/40/62/71/365406271.db2.gz AOQSLAJIWYQKMA-LLVKDONJSA-N 0 3 241.335 0.559 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@H](O)COC(C)C ZINC000575822644 365374592 /nfs/dbraw/zinc/37/45/92/365374592.db2.gz ZRHVDFWZFCTPCU-STQMWFEESA-N 0 3 244.379 0.798 20 0 BCADHN CN(C)[C@H]1CN(Cc2cccnc2)C[C@@H]1O ZINC000575969356 365428609 /nfs/dbraw/zinc/42/86/09/365428609.db2.gz WIYBMEWXAAUPAI-RYUDHWBXSA-N 0 3 221.304 0.188 20 0 BCADHN CC[C@@H](O)CN1CCC(F)(F)[C@@H](CO)C1 ZINC000339207138 365451639 /nfs/dbraw/zinc/45/16/39/365451639.db2.gz FYGMSUXQBXRFND-RKDXNWHRSA-N 0 3 223.263 0.707 20 0 BCADHN COc1ccc(NC(=O)[C@H]2CCN2)cc1N ZINC000576028351 365455416 /nfs/dbraw/zinc/45/54/16/365455416.db2.gz PFVPYLDOBFIMLZ-SECBINFHSA-N 0 3 221.260 0.578 20 0 BCADHN Cc1cc(C)c(CNC(=O)CNC2CC2)c(=O)[nH]1 ZINC000579586808 366892461 /nfs/dbraw/zinc/89/24/61/366892461.db2.gz KMFVDTDPUUREPD-UHFFFAOYSA-N 0 3 249.314 0.772 20 0 BCADHN CCN(CC(F)F)C(=O)C(C)S(C)(=O)=O ZINC000182428514 366900884 /nfs/dbraw/zinc/90/08/84/366900884.db2.gz NTKLEMQJNOZDSY-ZCFIWIBFSA-N 0 3 243.275 0.533 20 0 BCADHN CC1(C)CC[C@@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000576092842 365480038 /nfs/dbraw/zinc/48/00/38/365480038.db2.gz ZNUNJEMNXNBNKB-ZJUUUORDSA-N 0 3 241.335 0.463 20 0 BCADHN CN(CCC[NH+]1CCCCC1)CC(=O)[O-] ZINC000579603791 366902504 /nfs/dbraw/zinc/90/25/04/366902504.db2.gz NHSWPOGQMDCHLQ-UHFFFAOYSA-N 0 3 214.309 0.879 20 0 BCADHN CC(C)CCCS(=O)(=O)C(C)C(N)=O ZINC000182440970 366902902 /nfs/dbraw/zinc/90/29/02/366902902.db2.gz OHKRMDAFWKKFPI-MRVPVSSYSA-N 0 3 221.322 0.711 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCOC2)C1 ZINC000579611669 366906983 /nfs/dbraw/zinc/90/69/83/366906983.db2.gz WLZKTCQPJCONJF-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN CC(C)[C@@H](O)C(C)(C)CNC(=O)CNC1CC1 ZINC000182741043 366936093 /nfs/dbraw/zinc/93/60/93/366936093.db2.gz YQQDHZNWITUBRQ-GFCCVEGCSA-N 0 3 242.363 0.898 20 0 BCADHN C=Cn1cc(CNCC2(CO)CC2)cn1 ZINC000236491701 541471047 /nfs/dbraw/zinc/47/10/47/541471047.db2.gz QKCXAWJETUPWHE-UHFFFAOYSA-N 0 3 207.277 0.846 20 0 BCADHN CN(C)Cc1ccc(CNC(N)=O)cc1 ZINC000194622852 541513171 /nfs/dbraw/zinc/51/31/71/541513171.db2.gz SWBVQMWCQYULHP-UHFFFAOYSA-N 0 3 207.277 0.917 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000579700475 366982323 /nfs/dbraw/zinc/98/23/23/366982323.db2.gz HZNACGSUMNPVBM-SRQGCSHVSA-N 0 3 210.277 0.017 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000579700476 366982611 /nfs/dbraw/zinc/98/26/11/366982611.db2.gz HZNACGSUMNPVBM-ZOZBQHSOSA-N 0 3 210.277 0.017 20 0 BCADHN CN(CC1CC1)C(=O)CN[C@H]1C[C@@H](O)C1(C)C ZINC000579727555 366993541 /nfs/dbraw/zinc/99/35/41/366993541.db2.gz PMKBMOSFSCPZTL-WDEREUQCSA-N 0 3 240.347 0.604 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000579823067 367024111 /nfs/dbraw/zinc/02/41/11/367024111.db2.gz NLARDMAONAMPAX-QXFUBDJGSA-N 0 3 220.276 0.420 20 0 BCADHN CN(CCC(N)=O)Cc1ccc2c(n1)CCC2 ZINC000579805302 367012548 /nfs/dbraw/zinc/01/25/48/367012548.db2.gz CARXHXUFOIMZNU-UHFFFAOYSA-N 0 3 233.315 0.878 20 0 BCADHN COC(C)(C)CCN1CC(C)(C(N)=O)C1 ZINC000579828681 367034714 /nfs/dbraw/zinc/03/47/14/367034714.db2.gz JLEYVTGMXBNAOB-UHFFFAOYSA-N 0 3 214.309 0.609 20 0 BCADHN CC1(C)CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000364866029 367045804 /nfs/dbraw/zinc/04/58/04/367045804.db2.gz LLXRMNGLXIOXOB-NSHDSACASA-N 0 3 214.284 0.947 20 0 BCADHN COCC1(C)CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000579857956 367054991 /nfs/dbraw/zinc/05/49/91/367054991.db2.gz MSNHMGBHTZNFND-NSHDSACASA-N 0 3 240.347 0.823 20 0 BCADHN CCOCCNC(=O)CN[C@@H](COC)C1CC1 ZINC000183480640 367026751 /nfs/dbraw/zinc/02/67/51/367026751.db2.gz URAHIYXZXKBXFU-NSHDSACASA-N 0 3 244.335 0.154 20 0 BCADHN O=C(CNC1CC1)NCc1noc(C2CC2)n1 ZINC000579833565 367028341 /nfs/dbraw/zinc/02/83/41/367028341.db2.gz AVCBVTUNSQJDOB-UHFFFAOYSA-N 0 3 236.275 0.315 20 0 BCADHN Cn1ccc(CC(=O)NC[C@H]2CCCN2C)n1 ZINC000183594286 367032747 /nfs/dbraw/zinc/03/27/47/367032747.db2.gz BWUFQSWMXCTNNK-LLVKDONJSA-N 0 3 236.319 0.173 20 0 BCADHN CC1(C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368643869 367115521 /nfs/dbraw/zinc/11/55/21/367115521.db2.gz BIWUXQIULORMMN-XHNCKOQMSA-N 0 3 214.284 0.849 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000579949281 367097587 /nfs/dbraw/zinc/09/75/87/367097587.db2.gz FNEZOMSZVZFGHK-DBIOUOCHSA-N 0 3 226.320 0.653 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000579949283 367097683 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FGPJAYZVXOZOFF-GFCCVEGCSA-N 0 3 241.335 0.439 20 0 BCADHN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCN1 ZINC000384822283 367737359 /nfs/dbraw/zinc/73/73/59/367737359.db2.gz RFANMUPHWWMKRW-SECBINFHSA-N 0 3 234.255 0.758 20 0 BCADHN CNC(=O)c1cccc(NC(=O)[C@H]2CCN2)c1C ZINC000384847591 367743356 /nfs/dbraw/zinc/74/33/56/367743356.db2.gz YXNGCFAZTRIEPP-LLVKDONJSA-N 0 3 247.298 0.655 20 0 BCADHN CC/C=C\CN[C@H](C)CS(C)(=O)=O ZINC000384852965 367744848 /nfs/dbraw/zinc/74/48/48/367744848.db2.gz BYNKLGCNEVOLPJ-SSJHQANKSA-N 0 3 205.323 0.975 20 0 BCADHN COCC(COC)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384884721 367751208 /nfs/dbraw/zinc/75/12/08/367751208.db2.gz VYPLMIZFPHOXLG-FXPVBKGRSA-N 0 3 217.309 0.803 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2CC(=O)N(C)C2)[C@H](C)O1 ZINC000384666974 367714346 /nfs/dbraw/zinc/71/43/46/367714346.db2.gz XCOFGYDIQVILAA-KATARQTJSA-N 0 3 212.293 0.373 20 0 BCADHN Nc1nc(N)nc(N[C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000623995981 370885077 /nfs/dbraw/zinc/88/50/77/370885077.db2.gz 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369080071 /nfs/dbraw/zinc/08/00/71/369080071.db2.gz VBOBYHSWKNYAMQ-HOMQSWHASA-N 0 3 219.288 0.744 20 0 BCADHN NC(=O)[C@H]1C[C@H](NCc2cncs2)C1 ZINC000623662784 369080424 /nfs/dbraw/zinc/08/04/24/369080424.db2.gz KVBDIZNZPBQMQN-LJGSYFOKSA-N 0 3 211.290 0.497 20 0 BCADHN Cc1ccn(C)c1C(=O)N(C)CC1CN(C)C1 ZINC000618191154 369082495 /nfs/dbraw/zinc/08/24/95/369082495.db2.gz VUNQWOGTKBQMFZ-UHFFFAOYSA-N 0 3 235.331 0.967 20 0 BCADHN NC(=O)c1cccc(CN[C@H]2C[C@H](C(N)=O)C2)c1 ZINC000623663304 369085595 /nfs/dbraw/zinc/08/55/95/369085595.db2.gz FAJBKFWYMARFHM-XYPYZODXSA-N 0 3 247.298 0.139 20 0 BCADHN CC[C@@H](C(=O)N(C)CCCC(=O)NC)N(C)C ZINC000154999416 326177689 /nfs/dbraw/zinc/17/76/89/326177689.db2.gz XMQCUBAEHSBAFD-JTQLQIEISA-N 0 3 243.351 0.311 20 0 BCADHN CC[C@H](C(=O)N(C)C[C@@H]1COCCO1)N(C)C ZINC000618228770 369094036 /nfs/dbraw/zinc/09/40/36/369094036.db2.gz RAMWFUJLHWGYTQ-GHMZBOCLSA-N 0 3 244.335 0.200 20 0 BCADHN CCCN(C)CC(=O)N(C)C[C@H]1COCCO1 ZINC000618231606 369094284 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LYMPTPYCCSTKOH-NSHDSACASA-N 0 3 243.351 0.614 20 0 BCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(C)(C)O ZINC000618985840 369251956 /nfs/dbraw/zinc/25/19/56/369251956.db2.gz QCEKOSIJIKFKNS-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(C)(C)O ZINC000618985839 369252130 /nfs/dbraw/zinc/25/21/30/369252130.db2.gz QCEKOSIJIKFKNS-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](F)CCNC(=O)NCCN(C)C ZINC000458881797 203204154 /nfs/dbraw/zinc/20/41/54/203204154.db2.gz LLBGUYCPWINPQE-MRVPVSSYSA-N 0 3 205.277 0.595 20 0 BCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)CN(C)C ZINC000618989588 369253301 /nfs/dbraw/zinc/25/33/01/369253301.db2.gz SIJTVPYKXLKWTR-LBPRGKRZSA-N 0 3 241.379 0.785 20 0 BCADHN CCN(CCO)CCNC(=O)NCC[C@H](C)F ZINC000458899358 203207664 /nfs/dbraw/zinc/20/76/64/203207664.db2.gz WWAZEMLTCSHMHB-JTQLQIEISA-N 0 3 249.330 0.348 20 0 BCADHN CC(C)[N@@H+](Cc1ncccc1[O-])C[C@@H](O)CO ZINC000567603867 326226863 /nfs/dbraw/zinc/22/68/63/326226863.db2.gz LWRXMRHGXXUGQN-SNVBAGLBSA-N 0 3 240.303 0.351 20 0 BCADHN CC(C)[N@H+](Cc1ncccc1[O-])C[C@@H](O)CO ZINC000567603867 326226865 /nfs/dbraw/zinc/22/68/65/326226865.db2.gz LWRXMRHGXXUGQN-SNVBAGLBSA-N 0 3 240.303 0.351 20 0 BCADHN CCCN(CCO)C(=O)NC[C@H](C)N(C)C ZINC000459045146 203225339 /nfs/dbraw/zinc/22/53/39/203225339.db2.gz SLVPPYLJIKNTKM-JTQLQIEISA-N 0 3 231.340 0.350 20 0 BCADHN CC(C)N(C[C@@H](C)O)C(=O)NC[C@H](C)N(C)C ZINC000459032755 203226060 /nfs/dbraw/zinc/22/60/60/203226060.db2.gz BAQTUHRNBPLCNV-WDEREUQCSA-N 0 3 245.367 0.737 20 0 BCADHN C[C@@H](CNC(=O)N1C[C@H](C)OC[C@H]1C)N(C)C ZINC000459040264 203226286 /nfs/dbraw/zinc/22/62/86/203226286.db2.gz LGLGDDIGXLQBKW-AXFHLTTASA-N 0 3 243.351 0.755 20 0 BCADHN C[C@@H](CNC(=O)N[C@]1(C)CCOC1)N(C)C ZINC000459044930 203226294 /nfs/dbraw/zinc/22/62/94/203226294.db2.gz SCHIJNYXARICSQ-GXSJLCMTSA-N 0 3 229.324 0.415 20 0 BCADHN C[C@@H](CNC(=O)N1CC[C@H](C)[C@H](O)C1)N(C)C ZINC000459037919 203226795 /nfs/dbraw/zinc/22/67/95/203226795.db2.gz GVIXIFDTABVHON-GARJFASQSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@@H](CNC(=O)N1CC[C@@H](C)[C@H](O)C1)N(C)C ZINC000459037920 203226957 /nfs/dbraw/zinc/22/69/57/203226957.db2.gz GVIXIFDTABVHON-OUAUKWLOSA-N 0 3 243.351 0.349 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)NC[C@H](C)N(C)C ZINC000459046364 203227030 /nfs/dbraw/zinc/22/70/30/203227030.db2.gz UZPBRDWVFOZAID-GARJFASQSA-N 0 3 245.367 0.643 20 0 BCADHN CCC[C@](C)(O)CNC(=O)NC[C@H](C)N(C)C ZINC000459041562 203227153 /nfs/dbraw/zinc/22/71/53/203227153.db2.gz OCBLYLYBWMGRRS-JQWIXIFHSA-N 0 3 245.367 0.787 20 0 BCADHN C[C@H](CC(C)(C)O)NC(=O)NC[C@H](C)N(C)C ZINC000459063209 203227666 /nfs/dbraw/zinc/22/76/66/203227666.db2.gz RGFNWGWSMXRFLT-ZJUUUORDSA-N 0 3 245.367 0.785 20 0 BCADHN CC[C@@H]1OCC[C@H]1NC(=O)NC[C@H](C)N(C)C ZINC000459053043 203228253 /nfs/dbraw/zinc/22/82/53/203228253.db2.gz GWJVCIIIVDJBFP-AXFHLTTASA-N 0 3 243.351 0.803 20 0 BCADHN CCN(C[C@H](C)O)C(=O)NC[C@H](C)N(C)C ZINC000459067384 203229300 /nfs/dbraw/zinc/22/93/00/203229300.db2.gz VWHVLJZODOJVGV-UWVGGRQHSA-N 0 3 231.340 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QLHGHNMTYVDQDC-SECBINFHSA-N 0 3 210.277 0.951 20 0 BCADHN C[C@@H]1[C@@H](N(C)C)CCN1c1nccn(C)c1=O ZINC000621321056 370248412 /nfs/dbraw/zinc/24/84/12/370248412.db2.gz NVFXLZLDINSXID-ZJUUUORDSA-N 0 3 236.319 0.309 20 0 BCADHN CNS(=O)(=O)CCN1CCCCC[C@H]1C ZINC000621257861 370190973 /nfs/dbraw/zinc/19/09/73/370190973.db2.gz OMRUSKJEIIZHEK-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN CC[C@@H](C)N(C)CCS(=O)(=O)NC ZINC000621265900 370198242 /nfs/dbraw/zinc/19/82/42/370198242.db2.gz WNHCJXFWLVXIBV-MRVPVSSYSA-N 0 3 208.327 0.266 20 0 BCADHN CCC(C)(C)N(C)CCS(=O)(=O)NC ZINC000621266166 370198534 /nfs/dbraw/zinc/19/85/34/370198534.db2.gz BBUCTBNUZMJVCJ-UHFFFAOYSA-N 0 3 222.354 0.656 20 0 BCADHN CCOc1cncc(CNCCCO)c1 ZINC000621326039 370256957 /nfs/dbraw/zinc/25/69/57/370256957.db2.gz VUUCNNVQEZPTKW-UHFFFAOYSA-N 0 3 210.277 0.952 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)c1nc(C)no1 ZINC000309769918 370257131 /nfs/dbraw/zinc/25/71/31/370257131.db2.gz KFZPGGWDZMSLDN-IYSWYEEDSA-N 0 3 212.253 0.293 20 0 BCADHN Cn1cc(CNCC[C@H]2CC2(F)F)nn1 ZINC000621377746 370320313 /nfs/dbraw/zinc/32/03/13/370320313.db2.gz FNJOLBONRMDEMS-ZETCQYMHSA-N 0 3 216.235 0.950 20 0 BCADHN Cc1nccnc1CN[C@H](CO)C(C)C ZINC000621339584 370272737 /nfs/dbraw/zinc/27/27/37/370272737.db2.gz DZJBKFWKRMUBFP-LLVKDONJSA-N 0 3 209.293 0.892 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H](C)[C@@H](CO)C1 ZINC000621367351 370303370 /nfs/dbraw/zinc/30/33/70/370303370.db2.gz ZDLGQFOQJJWRBV-IVZWLZJFSA-N 0 3 214.309 0.201 20 0 BCADHN CC(=O)[C@](C)(O)CN1CC[C@H](C)[C@H](CO)C1 ZINC000621374186 370315373 /nfs/dbraw/zinc/31/53/73/370315373.db2.gz VYMHRCHYDFHOKZ-ZMLRMANQSA-N 0 3 229.320 0.277 20 0 BCADHN C[C@H](CNC(=O)C(C)(C)c1c[nH]cn1)N(C)C ZINC000621539133 370383589 /nfs/dbraw/zinc/38/35/89/370383589.db2.gz HHZVUGCKBWVYOA-SECBINFHSA-N 0 3 238.335 0.754 20 0 BCADHN Cc1nc(C)c(C(=O)NC[C@H](C)N(C)C)[nH]1 ZINC000621539279 370383607 /nfs/dbraw/zinc/38/36/07/370383607.db2.gz JMADYLGXODRHBA-ZETCQYMHSA-N 0 3 224.308 0.706 20 0 BCADHN CNC(=O)CN1CCc2ccccc2CC1 ZINC000112636790 370336760 /nfs/dbraw/zinc/33/67/60/370336760.db2.gz HDNZGFKWWMWKRW-UHFFFAOYSA-N 0 3 218.300 0.833 20 0 BCADHN O=C(CNC1CC1)NCC[C@@H]1CC1(F)F ZINC000621671362 370421984 /nfs/dbraw/zinc/42/19/84/370421984.db2.gz QFYWQLYQHKULAJ-SSDOTTSWSA-N 0 3 218.247 0.900 20 0 BCADHN O=C(CCOC1CNC1)NCC[C@@H]1CC1(F)F ZINC000621671045 370422181 /nfs/dbraw/zinc/42/21/81/370422181.db2.gz GQPZZSRFMFQNNL-MRVPVSSYSA-N 0 3 248.273 0.526 20 0 BCADHN CC1(OCC(=O)NCC[C@H]2CC2(F)F)CNC1 ZINC000621674018 370425601 /nfs/dbraw/zinc/42/56/01/370425601.db2.gz LEZLEPGXNINMHH-QMMMGPOBSA-N 0 3 248.273 0.526 20 0 BCADHN CC(C)CCN(C)CC(=O)N1CCNC1=O ZINC000077211655 370400772 /nfs/dbraw/zinc/40/07/72/370400772.db2.gz DZRRENYNSLYOHR-UHFFFAOYSA-N 0 3 227.308 0.516 20 0 BCADHN C[C@@H](O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000208014308 370454675 /nfs/dbraw/zinc/45/46/75/370454675.db2.gz FJJNEGMAIGINJL-RKDXNWHRSA-N 0 3 214.309 0.356 20 0 BCADHN Cc1nccnc1CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000621711782 370457639 /nfs/dbraw/zinc/45/76/39/370457639.db2.gz HIIUBYWBHQTJHG-GXSJLCMTSA-N 0 3 248.330 0.871 20 0 BCADHN Cc1nccnc1CN1CC[C@@](C)(C(N)=O)C1 ZINC000621725135 370477041 /nfs/dbraw/zinc/47/70/41/370477041.db2.gz DKFOESDKFGLOHM-GFCCVEGCSA-N 0 3 234.303 0.482 20 0 BCADHN O=C(c1c[nH]cn1)N1CC[C@H](N2CCCC2)C1 ZINC000066143598 370552525 /nfs/dbraw/zinc/55/25/25/370552525.db2.gz JBIPMZBQDYDFTD-JTQLQIEISA-N 0 3 234.303 0.720 20 0 BCADHN CCc1nnc(N2CCCN(CC)CC2)n1C ZINC000568448486 326357360 /nfs/dbraw/zinc/35/73/60/326357360.db2.gz NFUNIWXPRUQGPT-UHFFFAOYSA-N 0 3 237.351 0.910 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C1(CF)CCOCC1 ZINC000622600388 371010976 /nfs/dbraw/zinc/01/09/76/371010976.db2.gz WDCRWHMOGKDIJD-JTQLQIEISA-N 0 3 246.326 0.819 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cc2n(n1)CCC2 ZINC000622600182 371011059 /nfs/dbraw/zinc/01/10/59/371011059.db2.gz NWGULXQHKYIKCR-VIFPVBQESA-N 0 3 236.319 0.509 20 0 BCADHN Cc1nccn1CC(=O)N[C@@H](C)CN(C)C ZINC000622600368 371011089 /nfs/dbraw/zinc/01/10/89/371011089.db2.gz VIMUFWKWWGJRCI-VIFPVBQESA-N 0 3 224.308 0.258 20 0 BCADHN CCN(CC)CC(=O)N1CC(C)(CO)C1 ZINC000622649854 371035864 /nfs/dbraw/zinc/03/58/64/371035864.db2.gz JZBZMDIQEHQXGU-UHFFFAOYSA-N 0 3 214.309 0.169 20 0 BCADHN CCCN(C)CC(=O)NC[C@]1(C)CCC(=O)N1 ZINC000622679443 371056369 /nfs/dbraw/zinc/05/63/69/371056369.db2.gz XDJFVEUKHMZUGI-LBPRGKRZSA-N 0 3 241.335 0.113 20 0 BCADHN C[C@H](CN1CCCC1=O)NCc1ccc(=O)[nH]c1 ZINC000631046851 371059942 /nfs/dbraw/zinc/05/99/42/371059942.db2.gz OPFILFGWWDXQIH-SNVBAGLBSA-N 0 3 249.314 0.888 20 0 BCADHN Cn1ncc(Cl)c1CNC[C@H]1C[C@@H](O)C1 ZINC000623750004 371080999 /nfs/dbraw/zinc/08/09/99/371080999.db2.gz WOFQOTNIJVZNDV-OCAPTIKFSA-N 0 3 229.711 0.934 20 0 BCADHN O[C@@H]1CCN(CCNCc2cccnc2)C1 ZINC000623757030 371083544 /nfs/dbraw/zinc/08/35/44/371083544.db2.gz MJDAEGFGLWTDNI-GFCCVEGCSA-N 0 3 221.304 0.238 20 0 BCADHN CCn1nncc1CNC[C@@H]1CCCN1C ZINC000623786378 371092444 /nfs/dbraw/zinc/09/24/44/371092444.db2.gz MLMWCABCXZSNOZ-JTQLQIEISA-N 0 3 223.324 0.482 20 0 BCADHN Cc1cccc(CN(C)c2nc(N)nc(N)n2)c1 ZINC000623877930 371138511 /nfs/dbraw/zinc/13/85/11/371138511.db2.gz RQGKGKKVTJJAPK-UHFFFAOYSA-N 0 3 244.302 0.642 20 0 BCADHN CO[C@H]1C[C@H](NCc2cnc(N(C)C)nc2)C1 ZINC000623807955 371102271 /nfs/dbraw/zinc/10/22/71/371102271.db2.gz ZQPHDLABCOGEIC-XYPYZODXSA-N 0 3 236.319 0.810 20 0 BCADHN CO[C@H]1C[C@H](NCc2cn(C)nc2C)C1 ZINC000623808389 371103983 /nfs/dbraw/zinc/10/39/83/371103983.db2.gz OYOQYAHFUGUJLQ-XYPYZODXSA-N 0 3 209.293 0.996 20 0 BCADHN CO[C@H]1C[C@H](NCc2cnc(C)n2C)C1 ZINC000623809194 371105421 /nfs/dbraw/zinc/10/54/21/371105421.db2.gz VJYRQTXTXVHROA-HOMQSWHASA-N 0 3 209.293 0.996 20 0 BCADHN CCn1nccc1CNCCN1CC[C@H](O)C1 ZINC000623837873 371121337 /nfs/dbraw/zinc/12/13/37/371121337.db2.gz YHUPTPVIZGRDSS-LBPRGKRZSA-N 0 3 238.335 0.059 20 0 BCADHN C[C@@H]1C[C@@H](N[C@@H]2CCN(C3CCC3)C2=O)CO1 ZINC000623842902 371124251 /nfs/dbraw/zinc/12/42/51/371124251.db2.gz ZGXQKJOAGVLGQE-CKYFFXLPSA-N 0 3 238.331 0.907 20 0 BCADHN C[C@H](N(C)c1nc(N)nc(N)n1)C(C)(C)C ZINC000623843437 371124619 /nfs/dbraw/zinc/12/46/19/371124619.db2.gz LEMLXQQMKAXADK-LURJTMIESA-N 0 3 224.312 0.568 20 0 BCADHN C[C@H]1CCC[C@@H](N(C)c2nc(N)nc(N)n2)C1 ZINC000623847739 371125170 /nfs/dbraw/zinc/12/51/70/371125170.db2.gz XPUOKLROSLUUJA-JGVFFNPUSA-N 0 3 236.323 0.712 20 0 BCADHN Nc1nc(N)nc(NCCC2CCCCC2)n1 ZINC000623848468 371125524 /nfs/dbraw/zinc/12/55/24/371125524.db2.gz XAHTZZHAJJLLID-UHFFFAOYSA-N 0 3 236.323 0.501 20 0 BCADHN CCN(CCN)C(=O)C(=O)NC[C@H](C)C(C)C ZINC000627353745 371126069 /nfs/dbraw/zinc/12/60/69/371126069.db2.gz JUUWSXMPVWMXAX-JTQLQIEISA-N 0 3 243.351 0.202 20 0 BCADHN C[C@H](c1ccccn1)N(C)c1nc(N)nc(N)n1 ZINC000623901925 371146658 /nfs/dbraw/zinc/14/66/58/371146658.db2.gz XBDXBWGCEKJMGI-SSDOTTSWSA-N 0 3 245.290 0.289 20 0 BCADHN CCCN1CC[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC000389818426 371175458 /nfs/dbraw/zinc/17/54/58/371175458.db2.gz MOXNHLQZGVFCDE-JTQLQIEISA-N 0 3 236.319 0.932 20 0 BCADHN C[C@@H](N[C@H]1CCCNC1=O)[C@H]1CCCCO1 ZINC000623993279 371227237 /nfs/dbraw/zinc/22/72/37/371227237.db2.gz NOEQRFQIGXNDNP-OUAUKWLOSA-N 0 3 226.320 0.812 20 0 BCADHN CC1(C)[C@H](NCC(=O)NCC2CC2)C[C@@H]1O ZINC000163445247 326401974 /nfs/dbraw/zinc/40/19/74/326401974.db2.gz RBCOHJJNHFIZCQ-ZJUUUORDSA-N 0 3 226.320 0.262 20 0 BCADHN CC[C@H](N[C@@H]1CCC[C@@H]1C(=O)OC)C(N)=O ZINC000390481860 371206242 /nfs/dbraw/zinc/20/62/42/371206242.db2.gz NEJBOFYAZLQYPV-XHNCKOQMSA-N 0 3 228.292 0.182 20 0 BCADHN COC[C@H](CO)N[C@H](C)[C@H]1CCCCO1 ZINC000623975847 371209214 /nfs/dbraw/zinc/20/92/14/371209214.db2.gz RFUBHTICCIAYFE-OUAUKWLOSA-N 0 3 217.309 0.541 20 0 BCADHN COC1CC(C(=O)NC[C@H](C)N(C)C)C1 ZINC000623975655 371210834 /nfs/dbraw/zinc/21/08/34/371210834.db2.gz LXDUDEJDYSZADH-IDKOKCKLSA-N 0 3 214.309 0.478 20 0 BCADHN Cc1cncn1CC(=O)NC[C@@H](C)N(C)C ZINC000623975801 371210939 /nfs/dbraw/zinc/21/09/39/371210939.db2.gz QJSVEEGPZYTJBG-SECBINFHSA-N 0 3 224.308 0.258 20 0 BCADHN CC(C)[C@@H]1CCCCN1c1nc(N)nc(N)n1 ZINC000623979816 371213419 /nfs/dbraw/zinc/21/34/19/371213419.db2.gz MUYBPUWIBAISTQ-QMMMGPOBSA-N 0 3 236.323 0.712 20 0 BCADHN C[C@@H]1SCCN(c2nc(N)nc(N)n2)[C@H]1C ZINC000623981592 371214194 /nfs/dbraw/zinc/21/41/94/371214194.db2.gz KLKPQRBDYLJDGW-WDSKDSINSA-N 0 3 240.336 0.027 20 0 BCADHN C[C@H](CCC(C)(C)C)Nc1nc(N)nc(N)n1 ZINC000623982450 371215681 /nfs/dbraw/zinc/21/56/81/371215681.db2.gz UPOCKWPERKKEOK-SSDOTTSWSA-N 0 3 238.339 0.745 20 0 BCADHN CCc1ccccc1CNc1nc(N)nc(N)n1 ZINC000623988627 371222322 /nfs/dbraw/zinc/22/23/22/371222322.db2.gz QKFPFZOOEMUICF-UHFFFAOYSA-N 0 3 244.302 0.293 20 0 BCADHN CC[C@H]1CCC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000623989249 371222538 /nfs/dbraw/zinc/22/25/38/371222538.db2.gz PLHRXUSFXPHPBB-YUMQZZPRSA-N 0 3 236.323 0.499 20 0 BCADHN CCn1nncc1CN[C@H]1CCCOC1 ZINC000624026566 371258491 /nfs/dbraw/zinc/25/84/91/371258491.db2.gz FDVZGBLTDZPHEA-VIFPVBQESA-N 0 3 210.281 0.567 20 0 BCADHN CC(C)CC1(CNc2nc(N)nc(N)n2)CC1 ZINC000624031074 371259789 /nfs/dbraw/zinc/25/97/89/371259789.db2.gz TZDVTVSHNDDMGI-UHFFFAOYSA-N 0 3 236.323 0.357 20 0 BCADHN Nc1nc(N)nc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)n1 ZINC000624000095 371232115 /nfs/dbraw/zinc/23/21/15/371232115.db2.gz NRHQDBLHQMZOCR-IWSPIJDZSA-N 0 3 248.334 0.499 20 0 BCADHN Nc1nc(N)nc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1 ZINC000624000093 371232546 /nfs/dbraw/zinc/23/25/46/371232546.db2.gz NRHQDBLHQMZOCR-DJLDLDEBSA-N 0 3 248.334 0.499 20 0 BCADHN COC(C)(C)[C@H](C)N[C@H](CO)c1ccnn1C ZINC000624021377 371254115 /nfs/dbraw/zinc/25/41/15/371254115.db2.gz JISIIJKCEKRFLW-VHSXEESVSA-N 0 3 241.335 0.857 20 0 BCADHN CCN(Cc1ccccn1)c1nc(N)nc(N)n1 ZINC000624026383 371256947 /nfs/dbraw/zinc/25/69/47/371256947.db2.gz QTSAVLPRVKCIPI-UHFFFAOYSA-N 0 3 245.290 0.118 20 0 BCADHN N[C@H](CNC(=O)N[C@H]1CCOC1)c1ccccc1 ZINC000094891863 181617288 /nfs/dbraw/zinc/61/72/88/181617288.db2.gz KWBQUPFOOSTYHO-NWDGAFQWSA-N 0 3 249.314 0.775 20 0 BCADHN C[C@@H]1CCN(c2nc(N)nc(N)n2)C[C@@H]1C ZINC000624076366 371293679 /nfs/dbraw/zinc/29/36/79/371293679.db2.gz UCPUJMSKYDSEHY-RQJHMYQMSA-N 0 3 222.296 0.179 20 0 BCADHN Nc1nc(N)nc(N[C@@H]2CC23CCCCC3)n1 ZINC000624080593 371295807 /nfs/dbraw/zinc/29/58/07/371295807.db2.gz VUOVZTXGFVKLBK-SSDOTTSWSA-N 0 3 234.307 0.253 20 0 BCADHN CCCCN(c1nc(N)nc(N)n1)C1CC1 ZINC000624038833 371267184 /nfs/dbraw/zinc/26/71/84/371267184.db2.gz SIJXWTAAIBLNHE-UHFFFAOYSA-N 0 3 222.296 0.466 20 0 BCADHN C[C@@H]1CN(c2nc(N)nc(N)n2)[C@@H]2CCCC[C@@H]21 ZINC000624093813 371303059 /nfs/dbraw/zinc/30/30/59/371303059.db2.gz JFKJKKYHESHEKH-IWSPIJDZSA-N 0 3 248.334 0.712 20 0 BCADHN CCN(CCC1CC1)c1nc(N)nc(N)n1 ZINC000624102164 371308369 /nfs/dbraw/zinc/30/83/69/371308369.db2.gz MWTLKYDQPGAYOQ-UHFFFAOYSA-N 0 3 222.296 0.323 20 0 BCADHN C[C@H](CCC1CC1)Nc1nc(N)nc(N)n1 ZINC000624108164 371312203 /nfs/dbraw/zinc/31/22/03/371312203.db2.gz KPNVMIMMPXKZHC-ZCFIWIBFSA-N 0 3 222.296 0.109 20 0 BCADHN C[C@@H]1CCCCN(c2nc(N)nc(N)n2)C1 ZINC000624111119 371315655 /nfs/dbraw/zinc/31/56/55/371315655.db2.gz 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ZINC000361362133 182056903 /nfs/dbraw/zinc/05/69/03/182056903.db2.gz PGEPQNXFYPPVAW-UHFFFAOYSA-N 0 3 245.282 0.867 20 0 BCADHN Cc1ccn(CC(=O)NC2CCN(C)CC2)n1 ZINC000142013419 373088811 /nfs/dbraw/zinc/08/88/11/373088811.db2.gz UNPGYYCCCLFNHW-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN CC1(C)[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]21 ZINC000172949403 373110854 /nfs/dbraw/zinc/11/08/54/373110854.db2.gz MZMPKIWEPUIIES-DTORHVGOSA-N 0 3 232.349 0.123 20 0 BCADHN CC1(C)[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]21 ZINC000172956683 373111075 /nfs/dbraw/zinc/11/10/75/373111075.db2.gz XPKVWWQTBKMNJW-PHIMTYICSA-N 0 3 238.331 0.433 20 0 BCADHN CN(C)CC1(NC(=O)C2CSC2)CCC1 ZINC000632846506 373186122 /nfs/dbraw/zinc/18/61/22/373186122.db2.gz CRXILKPPKZTLLT-UHFFFAOYSA-N 0 3 228.361 0.950 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000040452385 373276986 /nfs/dbraw/zinc/27/69/86/373276986.db2.gz QTZQPHXEZRWYNK-SNVBAGLBSA-N 0 3 222.292 0.624 20 0 BCADHN COCCN(C)CCNC(=O)NCC(C)(C)F ZINC000632982666 373243547 /nfs/dbraw/zinc/24/35/47/373243547.db2.gz KSNWYNKWBFPQIJ-UHFFFAOYSA-N 0 3 249.330 0.612 20 0 BCADHN C[C@H]1C[C@@H](N(C)S(=O)(=O)C2CC2)CCN1C ZINC000173279503 373278572 /nfs/dbraw/zinc/27/85/72/373278572.db2.gz WVTDRABFJLOPTA-UWVGGRQHSA-N 0 3 246.376 0.893 20 0 BCADHN C[C@H]1C[C@H](N(C)S(=O)(=O)C2CC2)CCN1C ZINC000173279476 373279105 /nfs/dbraw/zinc/27/91/05/373279105.db2.gz WVTDRABFJLOPTA-VHSXEESVSA-N 0 3 246.376 0.893 20 0 BCADHN CCS(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000173242234 373269084 /nfs/dbraw/zinc/26/90/84/373269084.db2.gz CBXDMNFKDGXUAE-VHSXEESVSA-N 0 3 234.365 0.608 20 0 BCADHN CCN(C(=O)C(C)S(C)(=O)=O)C1CC1 ZINC000171918214 205522641 /nfs/dbraw/zinc/52/26/41/205522641.db2.gz PVVALYJVWMEACC-ZETCQYMHSA-N 0 3 219.306 0.430 20 0 BCADHN O=C(NCC(F)(F)F)[C@H]1CCCCN1 ZINC000019516231 182123741 /nfs/dbraw/zinc/12/37/41/182123741.db2.gz IHJXOROSFMBEQG-ZCFIWIBFSA-N 0 3 210.199 0.807 20 0 BCADHN CC[C@@H](NC(C)=O)C(=O)NC(C)(C)CN(C)C ZINC000633381265 373508054 /nfs/dbraw/zinc/50/80/54/373508054.db2.gz NQQNSOUSDGEERB-SNVBAGLBSA-N 0 3 243.351 0.358 20 0 BCADHN O=C(NCC1CCCC1)NC[C@H]1CNCCO1 ZINC000333939947 182144965 /nfs/dbraw/zinc/14/49/65/182144965.db2.gz NQAKBKLMTRXSCV-LLVKDONJSA-N 0 3 241.335 0.464 20 0 BCADHN CCN(C(=O)c1ncccc1N)[C@@H]1CCN(C)C1 ZINC000633613034 373628685 /nfs/dbraw/zinc/62/86/85/373628685.db2.gz SYORJQDXMHRYGY-SNVBAGLBSA-N 0 3 248.330 0.830 20 0 BCADHN CC(C)(F)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000633720529 373708794 /nfs/dbraw/zinc/70/87/94/373708794.db2.gz QOSOJNQMEXAYSJ-JTQLQIEISA-N 0 3 243.326 0.241 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2ncccc2N)CCN1 ZINC000633662230 373667931 /nfs/dbraw/zinc/66/79/31/373667931.db2.gz WNKHXHFNGVEYRU-LLVKDONJSA-N 0 3 248.330 0.734 20 0 BCADHN CC[C@H](CN1CCNC(=O)CC1)OC ZINC000412980955 205754288 /nfs/dbraw/zinc/75/42/88/205754288.db2.gz YZZAQCWVYNKPHQ-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN O=C(NCCCn1cccn1)[C@]1(F)CCNC1 ZINC000377347336 182177720 /nfs/dbraw/zinc/17/77/20/182177720.db2.gz SYTVWRYQUUKGQO-NSHDSACASA-N 0 3 240.282 0.091 20 0 BCADHN O=C(NCCN1CCCCC1)[C@@]1(F)CCNC1 ZINC000370762854 182185091 /nfs/dbraw/zinc/18/50/91/182185091.db2.gz BZDCVUKMVFNXGD-GFCCVEGCSA-N 0 3 243.326 0.290 20 0 BCADHN O=C(NCCN1CCCCC1)c1nnc[nH]1 ZINC000087443451 182184696 /nfs/dbraw/zinc/18/46/96/182184696.db2.gz QWNAWTVSEDETDS-UHFFFAOYSA-N 0 3 223.280 0.020 20 0 BCADHN CCC[C@H](CCO)NC(=O)CN(C)C(C)C ZINC000633826444 373778307 /nfs/dbraw/zinc/77/83/07/373778307.db2.gz WHQDGQPOLRQRMV-LLVKDONJSA-N 0 3 230.352 0.994 20 0 BCADHN O=C(NCCN1CCC1)C12CCCN1CCC2 ZINC000355356727 182182784 /nfs/dbraw/zinc/18/27/84/182182784.db2.gz MBNKJJIHLCBVMY-UHFFFAOYSA-N 0 3 237.347 0.437 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1C[C@@H](CO)C1 ZINC000633838194 373799272 /nfs/dbraw/zinc/79/92/72/373799272.db2.gz DXAQDPQWTNJFFB-AOOOYVTPSA-N 0 3 214.309 0.215 20 0 BCADHN CC[C@H](C(=O)N[C@H]1C[C@@H](CO)C1)N(CC)CC ZINC000633839289 373802443 /nfs/dbraw/zinc/80/24/43/373802443.db2.gz RKLZGJNTGRLAHN-GRYCIOLGSA-N 0 3 242.363 0.994 20 0 BCADHN O=C(NCCNc1ccncc1)c1cnc[nH]1 ZINC000338062064 182186446 /nfs/dbraw/zinc/18/64/46/182186446.db2.gz LVZXQNNOYZPNOG-UHFFFAOYSA-N 0 3 231.259 0.069 20 0 BCADHN O=C(NCCN1CCCCC1)c1cccc(=O)[nH]1 ZINC000227879327 182185817 /nfs/dbraw/zinc/18/58/17/182185817.db2.gz ALCXBYCFSSODNG-UHFFFAOYSA-N 0 3 249.314 0.591 20 0 BCADHN O=C(NCCc1cccnc1)[C@H]1C[C@H](F)CN1 ZINC000188709296 182207692 /nfs/dbraw/zinc/20/76/92/182207692.db2.gz IPZAWJZAEKZSRC-WDEREUQCSA-N 0 3 237.278 0.440 20 0 BCADHN N[C@@]1(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1(F)F ZINC000634261581 374077953 /nfs/dbraw/zinc/07/79/53/374077953.db2.gz PSLPPQDJCAMPPX-GMSGAONNSA-N 0 3 245.273 0.076 20 0 BCADHN O=C(NC[C@@H](O)c1ccccc1)[C@@H]1CCCCN1 ZINC000035605661 182221939 /nfs/dbraw/zinc/22/19/39/182221939.db2.gz MQPYHCKCQPARMB-QWHCGFSZSA-N 0 3 248.326 0.978 20 0 BCADHN Cc1nc(CNC(=O)C(C)(C)N)cs1 ZINC000041011239 374046394 /nfs/dbraw/zinc/04/63/94/374046394.db2.gz NCOOETHYRRBGPB-UHFFFAOYSA-N 0 3 213.306 0.805 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)NC1COC1 ZINC000634256723 374061644 /nfs/dbraw/zinc/06/16/44/374061644.db2.gz UXTVKTOVLBRCQP-IUCAKERBSA-N 0 3 212.293 0.374 20 0 BCADHN O=C(NC[C@@H](O)C1CC1)C12CCCN1CCC2 ZINC000365782424 182219900 /nfs/dbraw/zinc/21/99/00/182219900.db2.gz XOOXQNAEXCYICE-LLVKDONJSA-N 0 3 238.331 0.502 20 0 BCADHN CC(C)[C@H]1CN(C(=O)C(C)(C)N)CCN1C ZINC000634301019 374129504 /nfs/dbraw/zinc/12/95/04/374129504.db2.gz UHUKZRWDPOHSJE-SNVBAGLBSA-N 0 3 227.352 0.522 20 0 BCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(F)F ZINC000300089987 182228132 /nfs/dbraw/zinc/22/81/32/182228132.db2.gz GERREYOTYQWLEO-JGVFFNPUSA-N 0 3 234.246 0.231 20 0 BCADHN O=C(NC[C@H]1CCCS1)[C@@]1(F)CCNC1 ZINC000361739406 182240415 /nfs/dbraw/zinc/24/04/15/182240415.db2.gz RFBVDZQWPPMJEH-PSASIEDQSA-N 0 3 232.324 0.700 20 0 BCADHN O=C(NC[C@H]1CCC[NH2+]1)c1ccccc1[O-] ZINC000053253828 182238006 /nfs/dbraw/zinc/23/80/06/182238006.db2.gz IHOPBMPCOPTDQN-SECBINFHSA-N 0 3 220.272 0.874 20 0 BCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc[nH]1 ZINC000362983362 182245849 /nfs/dbraw/zinc/24/58/49/182245849.db2.gz HEKOENKKCHMAIE-MNOVXSKESA-N 0 3 249.314 0.608 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1O ZINC000634413008 374242342 /nfs/dbraw/zinc/24/23/42/374242342.db2.gz LFFZULYYNLHGJF-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN O=C(NCc1ncc[nH]1)[C@@H](C1CC1)N1CCCC1 ZINC000124121186 182274085 /nfs/dbraw/zinc/27/40/85/182274085.db2.gz BWAURJRQGTTXKF-GFCCVEGCSA-N 0 3 248.330 0.900 20 0 BCADHN O=C(NCc1ccncc1)[C@]1(F)CCNC1 ZINC000368454153 182266248 /nfs/dbraw/zinc/26/62/48/182266248.db2.gz PDHGHPAYWQHPLU-NSHDSACASA-N 0 3 223.251 0.399 20 0 BCADHN O=C(NCc1ccoc1)[C@H]1CN2CCN1CCC2 ZINC000372359847 182267161 /nfs/dbraw/zinc/26/71/61/182267161.db2.gz WJVWYJIFNJRPNM-GFCCVEGCSA-N 0 3 249.314 0.286 20 0 BCADHN CCOC[C@@H](N[C@H](C)C(=O)NC(N)=O)C(C)C ZINC000189816261 206015427 /nfs/dbraw/zinc/01/54/27/206015427.db2.gz JVVKEUZVFYJULR-RKDXNWHRSA-N 0 3 245.323 0.221 20 0 BCADHN O=C(NCc1cscn1)[C@]1(F)CCNC1 ZINC000370778889 182272513 /nfs/dbraw/zinc/27/25/13/182272513.db2.gz HZGPXUDSHVDPIT-VIFPVBQESA-N 0 3 229.280 0.461 20 0 BCADHN CCC(CC)(CCO)CNC(=O)[C@@H]1C[C@@H]1N ZINC000424125024 206032294 /nfs/dbraw/zinc/03/22/94/206032294.db2.gz PYUDMKPLNXBBQP-ZJUUUORDSA-N 0 3 228.336 0.639 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CCS1 ZINC000424125993 206032855 /nfs/dbraw/zinc/03/28/55/206032855.db2.gz RWMJTEPCCPXINK-KXUCPTDWSA-N 0 3 228.361 0.934 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000424131680 206033114 /nfs/dbraw/zinc/03/31/14/206033114.db2.gz VHRQJHGGQBPBNO-WHOHXGKFSA-N 0 3 248.330 0.830 20 0 BCADHN O=C(N[C@@H]1CCCC[C@H]1O)[C@@H]1CCCCN1 ZINC000052009482 182294321 /nfs/dbraw/zinc/29/43/21/182294321.db2.gz DFLXNTYHLYSUJH-OUAUKWLOSA-N 0 3 226.320 0.548 20 0 BCADHN CCN1C[C@H](N[C@@H](C)c2ncn(C)n2)[C@@H](C)C1 ZINC000437032677 206068458 /nfs/dbraw/zinc/06/84/58/206068458.db2.gz PTNGXTVWYPVARU-DCAQKATOSA-N 0 3 237.351 0.806 20 0 BCADHN C[C@H](N[C@@H]1CN(C2CC2)C[C@H]1C)c1ncn(C)n1 ZINC000437056304 206068910 /nfs/dbraw/zinc/06/89/10/206068910.db2.gz JLSGABQPNDBALU-JFGNBEQYSA-N 0 3 249.362 0.948 20 0 BCADHN COCCN1CCC[C@H]1CNC(=O)NCCF ZINC000437736613 206071405 /nfs/dbraw/zinc/07/14/05/206071405.db2.gz WJSIRLYRPMRQJZ-JTQLQIEISA-N 0 3 247.314 0.366 20 0 BCADHN O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn[n-]1 ZINC000108457556 182302991 /nfs/dbraw/zinc/30/29/91/182302991.db2.gz UOKKTTNDAMNVOA-RKDXNWHRSA-N 0 3 235.291 0.161 20 0 BCADHN O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cnn[n-]1 ZINC000108457556 182302992 /nfs/dbraw/zinc/30/29/92/182302992.db2.gz UOKKTTNDAMNVOA-RKDXNWHRSA-N 0 3 235.291 0.161 20 0 BCADHN O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[n-]nn1 ZINC000108457556 182302994 /nfs/dbraw/zinc/30/29/94/182302994.db2.gz UOKKTTNDAMNVOA-RKDXNWHRSA-N 0 3 235.291 0.161 20 0 BCADHN O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1c[n-]nn1 ZINC000108457556 182302995 /nfs/dbraw/zinc/30/29/95/182302995.db2.gz UOKKTTNDAMNVOA-RKDXNWHRSA-N 0 3 235.291 0.161 20 0 BCADHN O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cn[n-]n1 ZINC000108457556 182302997 /nfs/dbraw/zinc/30/29/97/182302997.db2.gz UOKKTTNDAMNVOA-RKDXNWHRSA-N 0 3 235.291 0.161 20 0 BCADHN O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cn[n-]n1 ZINC000108457556 182302999 /nfs/dbraw/zinc/30/29/99/182302999.db2.gz UOKKTTNDAMNVOA-RKDXNWHRSA-N 0 3 235.291 0.161 20 0 BCADHN Cc1cc(CN2C[C@H](C(N)=O)CC[C@@H]2C)ncn1 ZINC000428232285 206057509 /nfs/dbraw/zinc/05/75/09/206057509.db2.gz UEDDHJWYCHEBCR-WDEREUQCSA-N 0 3 248.330 0.871 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)CNC[C@H]1CCCO1 ZINC000429959817 206062396 /nfs/dbraw/zinc/06/23/96/206062396.db2.gz WLJWXBIIVOAOHT-GMTAPVOTSA-N 0 3 226.320 0.527 20 0 BCADHN COC[C@@H]1CN(CCC(C)(C)O)C[C@@H](C)O1 ZINC000439285884 206074848 /nfs/dbraw/zinc/07/48/48/206074848.db2.gz PSISGJDATKTVNP-MNOVXSKESA-N 0 3 231.336 0.883 20 0 BCADHN Cc1cnccc1CC(=O)NC[C@H](C)N(C)C ZINC000448679183 206083607 /nfs/dbraw/zinc/08/36/07/206083607.db2.gz BOYSUWYOVLDWLT-NSHDSACASA-N 0 3 235.331 0.999 20 0 BCADHN CCN(CCCO)C[C@@](C)(O)C(C)=O ZINC000450451413 206103397 /nfs/dbraw/zinc/10/33/97/206103397.db2.gz FJYPOOHGYMGRMC-SNVBAGLBSA-N 0 3 203.282 0.031 20 0 BCADHN CCC[C@]1(CO)CCN(C[C@](C)(O)C(C)=O)C1 ZINC000451035580 206106622 /nfs/dbraw/zinc/10/66/22/206106622.db2.gz GZUFXJBUIJQODA-STQMWFEESA-N 0 3 243.347 0.811 20 0 BCADHN CSCC(=O)NC[C@H]1CCCN1C ZINC000194713391 206107141 /nfs/dbraw/zinc/10/71/41/206107141.db2.gz KYFOLJIGFVDLLL-MRVPVSSYSA-N 0 3 202.323 0.560 20 0 BCADHN O=C(N[C@H]1CCC[C@H]1O)C12CCCN1CCC2 ZINC000368151009 182332717 /nfs/dbraw/zinc/33/27/17/182332717.db2.gz HHVKYTXHFCEVSY-WDEREUQCSA-N 0 3 238.331 0.644 20 0 BCADHN CCC[C@]1(COC)CCCN1CC(N)=O ZINC000194929764 206113311 /nfs/dbraw/zinc/11/33/11/206113311.db2.gz NKSIIDSGSCBPIM-LLVKDONJSA-N 0 3 214.309 0.753 20 0 BCADHN O=C(N[C@H]1CCN(CCCO)C1)C1CCC1 ZINC000369067703 182335088 /nfs/dbraw/zinc/33/50/88/182335088.db2.gz VCTFOISJAOUTEF-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN O=C(N[C@H]1CCOC1)c1ccc2c(c1)CNC2 ZINC000131201618 182337646 /nfs/dbraw/zinc/33/76/46/182337646.db2.gz YPOWWAOPKCDHAB-LBPRGKRZSA-N 0 3 232.283 0.809 20 0 BCADHN O=C(Nc1ccc(F)c(F)c1)[C@@H]1C[C@H](O)CN1 ZINC000020434258 182355737 /nfs/dbraw/zinc/35/57/37/182355737.db2.gz CNMXCDRRXSPZFX-XVKPBYJWSA-N 0 3 242.225 0.626 20 0 BCADHN O=C(Nc1ccc(F)cc1F)[C@H]1C[C@@H](O)CN1 ZINC000020434349 182357206 /nfs/dbraw/zinc/35/72/06/182357206.db2.gz YAOACKYMEZKHJE-GMSGAONNSA-N 0 3 242.225 0.626 20 0 BCADHN CN(C)CC(C)(C)NCC(=O)NCC1CCC1 ZINC000459545148 206132632 /nfs/dbraw/zinc/13/26/32/206132632.db2.gz FXVYBTCAOBANDO-UHFFFAOYSA-N 0 3 241.379 0.833 20 0 BCADHN OCCOCCN1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459658307 206135970 /nfs/dbraw/zinc/13/59/70/206135970.db2.gz AJSJXTRIJKQVEU-NEPJUHHUSA-N 0 3 241.331 0.496 20 0 BCADHN O=C(Nc1ccc(F)cc1)[C@H]1C[C@H](O)CN1 ZINC000020434308 182356797 /nfs/dbraw/zinc/35/67/97/182356797.db2.gz SICGMRDRXCIDDI-VHSXEESVSA-N 0 3 224.235 0.487 20 0 BCADHN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](O)CN1 ZINC000020434166 182364124 /nfs/dbraw/zinc/36/41/24/182364124.db2.gz YGRAIGIYLKMEKD-STQMWFEESA-N 0 3 246.310 0.837 20 0 BCADHN O=C(Nc1ccc2n[nH]cc2c1)[C@H]1CCN1 ZINC000336173714 182366114 /nfs/dbraw/zinc/36/61/14/182366114.db2.gz KEZGCMBSHICDHC-SNVBAGLBSA-N 0 3 216.244 0.863 20 0 BCADHN O=C(Nc1ccccc1)[C@@H]1C[C@@H](O)CN1 ZINC000020433745 182376626 /nfs/dbraw/zinc/37/66/26/182376626.db2.gz BQSYJWODLFULLH-ZJUUUORDSA-N 0 3 206.245 0.348 20 0 BCADHN O=C(Nc1ccccc1)[C@@H]1C[C@H](O)CN1 ZINC000020433744 182377096 /nfs/dbraw/zinc/37/70/96/182377096.db2.gz BQSYJWODLFULLH-UWVGGRQHSA-N 0 3 206.245 0.348 20 0 BCADHN O=C(Nc1cccc2[nH]cnc21)[C@@H]1C[C@H](O)CN1 ZINC000269264579 182371620 /nfs/dbraw/zinc/37/16/20/182371620.db2.gz YDMFEFSVAKVTDF-XVKPBYJWSA-N 0 3 246.270 0.224 20 0 BCADHN O=C(Nc1cccc2c[nH]nc21)[C@@H]1C[C@H](O)CN1 ZINC000037044417 182373449 /nfs/dbraw/zinc/37/34/49/182373449.db2.gz BSXMSSPUNWUXIE-WPRPVWTQSA-N 0 3 246.270 0.224 20 0 BCADHN O=C(Nc1ccsc1)[C@@H]1C[C@H](O)CN1 ZINC000085535131 182390061 /nfs/dbraw/zinc/39/00/61/182390061.db2.gz ULVIVSSCBLKXAV-YUMQZZPRSA-N 0 3 212.274 0.409 20 0 BCADHN O=C(Nc1ccccc1[O-])[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000070609689 182379943 /nfs/dbraw/zinc/37/99/43/182379943.db2.gz ORTRCOBYFYLSHQ-APPZFPTMSA-N 0 3 222.244 0.054 20 0 BCADHN O=C(Nc1ccccc1O)[C@@H]1C[C@@H](O)CN1 ZINC000070609689 182379944 /nfs/dbraw/zinc/37/99/44/182379944.db2.gz ORTRCOBYFYLSHQ-APPZFPTMSA-N 0 3 222.244 0.054 20 0 BCADHN O=C(Nc1ccccn1)[C@@]1(F)CCNC1 ZINC000378209700 182382015 /nfs/dbraw/zinc/38/20/15/182382015.db2.gz KWXCZHMEFQDETK-SNVBAGLBSA-N 0 3 209.224 0.722 20 0 BCADHN O=C(Nc1ncccc1[O-])[C@@H]1CC[NH2+]C1 ZINC000128601530 182399351 /nfs/dbraw/zinc/39/93/51/182399351.db2.gz FHPJCHYUJUKBJJ-SSDOTTSWSA-N 0 3 207.233 0.335 20 0 BCADHN CCNC(=O)CN[C@H]1CSC[C@H]1C ZINC000336643418 170066018 /nfs/dbraw/zinc/06/60/18/170066018.db2.gz HZGISTQPPZWSIM-SFYZADRCSA-N 0 3 202.323 0.464 20 0 BCADHN O=C(Nc1ncccc1[O-])[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364560763 182399823 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FCSCEFBOKMEDFK-UHFFFAOYSA-N 0 3 223.320 0.904 20 0 BCADHN OC[C@H]1[C@@H]2CN(CCO[C@H]3CCCCO3)C[C@H]12 ZINC000368343598 183132310 /nfs/dbraw/zinc/13/23/10/183132310.db2.gz YVPOVNJLOWCGKP-LOWDOPEQSA-N 0 3 241.331 0.700 20 0 BCADHN OC[C@H]1[C@@H]2CN(CCc3cccnc3)C[C@H]12 ZINC000368327697 183132705 /nfs/dbraw/zinc/13/27/05/183132705.db2.gz GQZKIHNGAVCPGU-ITGUQSILSA-N 0 3 218.300 0.794 20 0 BCADHN CCOC[C@H](C)NCC(=O)NCC(F)(F)F ZINC000044723653 170444916 /nfs/dbraw/zinc/44/49/16/170444916.db2.gz UUVZBUIUOBZJJH-ZETCQYMHSA-N 0 3 242.241 0.680 20 0 BCADHN OC[C@H](NCC1=CCCOC1)[C@H]1CCCO1 ZINC000309556422 183139781 /nfs/dbraw/zinc/13/97/81/183139781.db2.gz HSOCEBUQVTUMEL-NWDGAFQWSA-N 0 3 227.304 0.463 20 0 BCADHN OC[C@H](NC[C@H](O)C(F)(F)F)[C@H]1CCCO1 ZINC000336671889 183141666 /nfs/dbraw/zinc/14/16/66/183141666.db2.gz INBFMMRJSYDFBU-RNJXMRFFSA-N 0 3 243.225 0.039 20 0 BCADHN OC[C@H](O)CNCc1ccc(-n2cccn2)cc1 ZINC000090282098 183142147 /nfs/dbraw/zinc/14/21/47/183142147.db2.gz HLLYWXRPWRCOCC-CYBMUJFWSA-N 0 3 247.298 0.315 20 0 BCADHN OC[C@H](O)CNCc1ccc(F)c(F)c1 ZINC000083348829 183142303 /nfs/dbraw/zinc/14/23/03/183142303.db2.gz JAHFFRPMYFKKKS-MRVPVSSYSA-N 0 3 217.215 0.408 20 0 BCADHN OC[C@H](O)CNCc1ccc(OC(F)F)cc1 ZINC000105728903 183142417 /nfs/dbraw/zinc/14/24/17/183142417.db2.gz CWSYLQWVYFPRCZ-SECBINFHSA-N 0 3 247.241 0.731 20 0 BCADHN OC[C@H](O)CNC/C=C/c1ccccc1 ZINC000083345054 183142561 /nfs/dbraw/zinc/14/25/61/183142561.db2.gz MTPZYZIVHNJRDE-RPTYSRGTSA-N 0 3 207.273 0.643 20 0 BCADHN OC[C@H](O)CNC/C=C\c1ccncc1 ZINC000336720784 183142916 /nfs/dbraw/zinc/14/29/16/183142916.db2.gz DACXOLWFLCPIIX-RFMOXSJOSA-N 0 3 208.261 0.038 20 0 BCADHN OC[C@@H]1CN(Cc2ccccc2)C[C@H]1O ZINC000034197613 183127493 /nfs/dbraw/zinc/12/74/93/183127493.db2.gz XQYUBSUGHRDQSN-NWDGAFQWSA-N 0 3 207.273 0.472 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1Cc1ccsc1 ZINC000187669794 183129211 /nfs/dbraw/zinc/12/92/11/183129211.db2.gz YCZNHFKJHJYGEJ-UWVGGRQHSA-N 0 3 213.302 0.676 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000034372778 183130107 /nfs/dbraw/zinc/13/01/07/183130107.db2.gz JSZNWUQCOLGFNL-NWDGAFQWSA-N 0 3 207.273 0.614 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1Cc1ccc2c[nH]nc2c1 ZINC000187671585 183130661 /nfs/dbraw/zinc/13/06/61/183130661.db2.gz MNHULBIUQJZAQA-RYUDHWBXSA-N 0 3 247.298 0.490 20 0 BCADHN O=C1N=NC(CN2CCCC[C@H](CO)C2)S1 ZINC000375361221 183146816 /nfs/dbraw/zinc/14/68/16/183146816.db2.gz LCLKAISFLHJQLM-QMMMGPOBSA-N 0 3 243.332 0.838 20 0 BCADHN OC[C@]1(NCc2ccsc2)CCOC1 ZINC000184185869 183159184 /nfs/dbraw/zinc/15/91/84/183159184.db2.gz VODILSRSNWICQP-SNVBAGLBSA-N 0 3 213.302 0.989 20 0 BCADHN OC[C@]1(NCC2=CCCOC2)CCOC1 ZINC000328677120 183159319 /nfs/dbraw/zinc/15/93/19/183159319.db2.gz RZINJCXTUSZXJR-LLVKDONJSA-N 0 3 213.277 0.074 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000195014873 169067571 /nfs/dbraw/zinc/06/75/71/169067571.db2.gz OZVBLQRFDIDQLB-PHIMTYICSA-N 0 3 228.336 0.964 20 0 BCADHN CCCN(C)CC(=O)N1CCOC[C@@H](C)C1 ZINC000338352606 169067737 /nfs/dbraw/zinc/06/77/37/169067737.db2.gz WTDHDQHFXLSBIX-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN CCCN(C)CC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000362501983 169068256 /nfs/dbraw/zinc/06/82/56/169068256.db2.gz ITPKHPDWMFKLGN-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CCCN(C)CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000356888872 169068330 /nfs/dbraw/zinc/06/83/30/169068330.db2.gz UZLHTDRCGHBLDC-RYUDHWBXSA-N 0 3 241.379 0.879 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000357890572 169068727 /nfs/dbraw/zinc/06/87/27/169068727.db2.gz NDCJEEAGHCLTNF-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000358756133 169069108 /nfs/dbraw/zinc/06/91/08/169069108.db2.gz MPAWPVHXWHELIS-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN CCCN(C)CC(=O)N1CCN(C(C)C)CC1 ZINC000359349980 169069204 /nfs/dbraw/zinc/06/92/04/169069204.db2.gz XCEXCJYISOWKPM-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CCCN(C)CC(=O)N1CCO[C@@H](COC)C1 ZINC000357440629 169069213 /nfs/dbraw/zinc/06/92/13/169069213.db2.gz PZVHZIZHURYOQF-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN CCCN(C)CC(=O)NCCn1cccc1 ZINC000359444846 169071018 /nfs/dbraw/zinc/07/10/18/169071018.db2.gz WRJRNYVHRVVOIA-UHFFFAOYSA-N 0 3 223.320 0.946 20 0 BCADHN CCCN(C)CC(=O)NC[C@@](C)(O)CC ZINC000359254739 169071029 /nfs/dbraw/zinc/07/10/29/169071029.db2.gz WLZDWKDXJYPBSQ-NSHDSACASA-N 0 3 216.325 0.605 20 0 BCADHN CCCN(C)CC(=O)NCC[C@H](O)CC ZINC000358632596 169071685 /nfs/dbraw/zinc/07/16/85/169071685.db2.gz CTGBKRSCYOABAJ-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](C)CCO ZINC000340553485 169072747 /nfs/dbraw/zinc/07/27/47/169072747.db2.gz ZWEJBVJTDBLAPW-SNVBAGLBSA-N 0 3 216.325 0.463 20 0 BCADHN CCCN(C)CC(=O)NCc1ncnn1CC ZINC000357987915 169073373 /nfs/dbraw/zinc/07/33/73/169073373.db2.gz JMDYMPYUKNSICE-UHFFFAOYSA-N 0 3 239.323 0.256 20 0 BCADHN CCCN(C)CC(=O)NCc1nccn1C ZINC000359265164 169073572 /nfs/dbraw/zinc/07/35/72/169073572.db2.gz QQZHJLLODVINRP-UHFFFAOYSA-N 0 3 224.308 0.378 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000330470880 169073664 /nfs/dbraw/zinc/07/36/64/169073664.db2.gz MVRNUXQCLNUXEF-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN CCCN(C)CC(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000357121845 169074211 /nfs/dbraw/zinc/07/42/11/169074211.db2.gz PXVHNKGGXDJYQJ-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000331036354 169074257 /nfs/dbraw/zinc/07/42/57/169074257.db2.gz BGXKUUVCWSVISD-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C(=O)OC)C1CC1 ZINC000362676418 169074450 /nfs/dbraw/zinc/07/44/50/169074450.db2.gz YLNXIUIAJIZIJJ-NSHDSACASA-N 0 3 242.319 0.396 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)[C@@H](C)CO ZINC000339809449 169074699 /nfs/dbraw/zinc/07/46/99/169074699.db2.gz XATRXFQUYOYDQW-VHSXEESVSA-N 0 3 216.325 0.461 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000332069247 169075196 /nfs/dbraw/zinc/07/51/96/169075196.db2.gz UMYVXZMKSICOBW-UWVGGRQHSA-N 0 3 228.336 0.604 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)[C@H](CO)SC ZINC000341736959 169075500 /nfs/dbraw/zinc/07/55/00/169075500.db2.gz NSIVIRBAYKEKDT-ZJUUUORDSA-N 0 3 248.392 0.557 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CC)C(C)(C)O ZINC000358619309 169076803 /nfs/dbraw/zinc/07/68/03/169076803.db2.gz SBBQWQKKDNYFPD-SNVBAGLBSA-N 0 3 230.352 0.994 20 0 BCADHN O[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@H]1O ZINC000300988293 183206783 /nfs/dbraw/zinc/20/67/83/183206783.db2.gz TUGURBPPCGQJSC-DJLDLDEBSA-N 0 3 221.247 0.459 20 0 BCADHN O[C@@H]1CN(C[C@H]2Cc3ccccc3O2)C[C@H]1O ZINC000300126732 183206846 /nfs/dbraw/zinc/20/68/46/183206846.db2.gz YVUZUTJGMXFJFS-IJLUTSLNSA-N 0 3 235.283 0.028 20 0 BCADHN O[C@@H]1CCCC[C@H]1NCc1cncnc1 ZINC000054768231 183190337 /nfs/dbraw/zinc/19/03/37/183190337.db2.gz GXTUWNUZMZGWFP-GHMZBOCLSA-N 0 3 207.277 0.870 20 0 BCADHN CCCN(C)CC(=O)N(CCN(C)C)C1CC1 ZINC000356279417 169064198 /nfs/dbraw/zinc/06/41/98/169064198.db2.gz LXLDOPBFGFOTEE-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN O[C@@H]1CCCN(CCN2CCCOCC2)CC1 ZINC000339780108 183192388 /nfs/dbraw/zinc/19/23/88/183192388.db2.gz OXPOTNCCQVZFDL-CYBMUJFWSA-N 0 3 242.363 0.556 20 0 BCADHN CCCN(C)CC(=O)N(C)C[C@H](C)O ZINC000360925694 169065406 /nfs/dbraw/zinc/06/54/06/169065406.db2.gz QEAUOOQRXXQPLO-VIFPVBQESA-N 0 3 202.298 0.167 20 0 BCADHN CCCN(C)CC(=O)N(C)CC[C@H](C)O ZINC000362354748 169066050 /nfs/dbraw/zinc/06/60/50/169066050.db2.gz XQDHOIWGGHVPAL-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN CCC[N@H+](C)CC(=O)N(C)Cc1nnc[n-]1 ZINC000331272735 169066247 /nfs/dbraw/zinc/06/62/47/169066247.db2.gz VTEUBYNUOKDEEH-UHFFFAOYSA-N 0 3 225.296 0.105 20 0 BCADHN CCC[N@@H+](C)CC(=O)N(C)Cc1nnc[n-]1 ZINC000331272735 169066249 /nfs/dbraw/zinc/06/62/49/169066249.db2.gz VTEUBYNUOKDEEH-UHFFFAOYSA-N 0 3 225.296 0.105 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](OC)C1 ZINC000360979200 169066693 /nfs/dbraw/zinc/06/66/93/169066693.db2.gz KEYWKIWVOUKGQR-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CCCN(C)CCCS(=O)(=O)NC ZINC000111208832 169078731 /nfs/dbraw/zinc/07/87/31/169078731.db2.gz FMQQQDPAUCFOFV-UHFFFAOYSA-N 0 3 208.327 0.268 20 0 BCADHN CCCN(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000335569922 169086541 /nfs/dbraw/zinc/08/65/41/169086541.db2.gz LWPNTEFPDCOODN-SECBINFHSA-N 0 3 220.338 0.362 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CC[C@@]2(C1)CCCOC2 ZINC000361379037 183210101 /nfs/dbraw/zinc/21/01/01/183210101.db2.gz TUFABQIVJDAATO-QJPTWQEYSA-N 0 3 227.304 0.249 20 0 BCADHN O[C@@H]1COC[C@H]1N1CC[C@H](Nc2ccccc2)C1 ZINC000361318124 183210336 /nfs/dbraw/zinc/21/03/36/183210336.db2.gz HSZIJGJXNILNCO-BFHYXJOUSA-N 0 3 248.326 0.933 20 0 BCADHN O[C@@H]1COC[C@H]1N1CCC(C(F)F)CC1 ZINC000307857492 183210664 /nfs/dbraw/zinc/21/06/64/183210664.db2.gz PJCFSQSQEVZIKW-RKDXNWHRSA-N 0 3 221.247 0.723 20 0 BCADHN CCCN(CC(=O)N(C)CC)CC(C)(C)O ZINC000357968893 169092675 /nfs/dbraw/zinc/09/26/75/169092675.db2.gz DDHQPNRMIVKKMC-UHFFFAOYSA-N 0 3 230.352 0.948 20 0 BCADHN CCCN(CC(=O)N(C)C)C(=O)[C@H](N)CC ZINC000038101142 169093078 /nfs/dbraw/zinc/09/30/78/169093078.db2.gz AZHGHRBFEZOREM-SECBINFHSA-N 0 3 229.324 0.051 20 0 BCADHN O[C@@H]1COC[C@H]1N[C@H]1COc2ccccc2C1 ZINC000323227581 183212229 /nfs/dbraw/zinc/21/22/29/183212229.db2.gz ZZEUSXXORLTPCT-IJLUTSLNSA-N 0 3 235.283 0.339 20 0 BCADHN CCCN(CC(=O)NC)C[C@H](O)CC ZINC000106383550 169094045 /nfs/dbraw/zinc/09/40/45/169094045.db2.gz PUBXVYVSHKTLQA-SECBINFHSA-N 0 3 202.298 0.215 20 0 BCADHN CC(C)Cn1ccnc1CNC(=O)[C@H](C)N ZINC000178809849 134315136 /nfs/dbraw/zinc/31/51/36/134315136.db2.gz HMRGWJKIGUFDDK-VIFPVBQESA-N 0 3 224.308 0.503 20 0 BCADHN O[C@@]1(C2CC2)CCN(CCn2cncn2)C1 ZINC000365856900 183215795 /nfs/dbraw/zinc/21/57/95/183215795.db2.gz KFNWHXNTTWBXKD-NSHDSACASA-N 0 3 222.292 0.125 20 0 BCADHN O[C@H]1CN(Cc2ccc3c(c2)CCC3)C[C@@H]1O ZINC000236590749 183243418 /nfs/dbraw/zinc/24/34/18/183243418.db2.gz QZHMWDIRVFGDDE-KBPBESRZSA-N 0 3 233.311 0.713 20 0 BCADHN CCCN(CC)C(=O)[C@@]1(F)CCNC1 ZINC000308935730 169116255 /nfs/dbraw/zinc/11/62/55/169116255.db2.gz OATMBTPTAKBNJN-SNVBAGLBSA-N 0 3 202.273 0.947 20 0 BCADHN O[C@H]1CN(CCc2ccc(Cl)cc2)C[C@@H]1O ZINC000308431858 183244205 /nfs/dbraw/zinc/24/42/05/183244205.db2.gz AFRJQFNKYVVNLF-RYUDHWBXSA-N 0 3 241.718 0.920 20 0 BCADHN O[C@@H]1CN(Cc2cccc3cc[nH]c32)C[C@@H]1O ZINC000336530478 183244568 /nfs/dbraw/zinc/24/45/68/183244568.db2.gz OLNQQNMRYLSICO-TXEJJXNPSA-N 0 3 232.283 0.705 20 0 BCADHN CCCN(CC)CC(=O)N1CCOCC1 ZINC000346284511 169121730 /nfs/dbraw/zinc/12/17/30/169121730.db2.gz APPKZBIPIGGOLT-UHFFFAOYSA-N 0 3 214.309 0.577 20 0 BCADHN CCCN(CCC)CCNS(C)(=O)=O ZINC000107298553 169147499 /nfs/dbraw/zinc/14/74/99/169147499.db2.gz WLYNTXCITHLRPJ-UHFFFAOYSA-N 0 3 222.354 0.658 20 0 BCADHN CCCN(CCO)C(=O)C1CCN(C)CC1 ZINC000342009190 169159447 /nfs/dbraw/zinc/15/94/47/169159447.db2.gz OKGZVRYQSNRYMR-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN CCCN(CCNS(C)(=O)=O)CC1CC1 ZINC000107367564 169160213 /nfs/dbraw/zinc/16/02/13/169160213.db2.gz RRPMBFGSALPWCG-UHFFFAOYSA-N 0 3 234.365 0.658 20 0 BCADHN CCCN1CCC(N2CCNC2=O)CC1 ZINC000052217508 169187030 /nfs/dbraw/zinc/18/70/30/169187030.db2.gz WORWHXRGBOIDCZ-UHFFFAOYSA-N 0 3 211.309 0.886 20 0 BCADHN CCC[NH+]1CCC(NC(=O)c2cnn[n-]2)CC1 ZINC000108286632 169188207 /nfs/dbraw/zinc/18/82/07/169188207.db2.gz LZMRCKKDBPTETG-UHFFFAOYSA-N 0 3 237.307 0.409 20 0 BCADHN CCCN1CCCN(C(=O)CC(=O)NC)CC1 ZINC000364382972 169191341 /nfs/dbraw/zinc/19/13/41/169191341.db2.gz KAHRUOKHCOXFCN-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN CCCN1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000332109566 169191523 /nfs/dbraw/zinc/19/15/23/169191523.db2.gz DWVOBWPBHLXJGS-LBPRGKRZSA-N 0 3 240.347 0.748 20 0 BCADHN CCCN1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000332109564 169191612 /nfs/dbraw/zinc/19/16/12/169191612.db2.gz DWVOBWPBHLXJGS-GFCCVEGCSA-N 0 3 240.347 0.748 20 0 BCADHN CCCN1CCCN(CC(=O)N(C)CC)CC1 ZINC000369250160 169192547 /nfs/dbraw/zinc/19/25/47/169192547.db2.gz NSPWTCNEOHMNKN-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CCCN1CCCN([C@@H](C)C(=O)OC)CC1 ZINC000112409950 169192614 /nfs/dbraw/zinc/19/26/14/169192614.db2.gz FTHMMEPPAFKISM-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NC[C@H](C)CO ZINC000330702547 169195502 /nfs/dbraw/zinc/19/55/02/169195502.db2.gz ZSWGCOXJBMTYKF-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@H](C)CCO ZINC000330484451 169197495 /nfs/dbraw/zinc/19/74/95/169197495.db2.gz XTQGQXAYQMQJFC-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CC(N(C)C)C1 ZINC000342134058 169198076 /nfs/dbraw/zinc/19/80/76/169198076.db2.gz SHHXWKKOQOWABS-LBPRGKRZSA-N 0 3 239.363 0.633 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NC[C@H](C)CO ZINC000330702546 169200024 /nfs/dbraw/zinc/20/00/24/169200024.db2.gz ZSWGCOXJBMTYKF-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN CCCN1CCN(Cc2cncn2C)CC1 ZINC000176999450 169202484 /nfs/dbraw/zinc/20/24/84/169202484.db2.gz USYXEKREGHWMDV-UHFFFAOYSA-N 0 3 222.336 0.948 20 0 BCADHN CCCNC(=O)CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361749841 169222913 /nfs/dbraw/zinc/22/29/13/169222913.db2.gz GCDDCAVIEYBMFT-NWDGAFQWSA-N 0 3 240.347 0.871 20 0 BCADHN CCCNC(=O)CN1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000330588220 169223047 /nfs/dbraw/zinc/22/30/47/169223047.db2.gz XNGBENNMKBCALE-RKDXNWHRSA-N 0 3 227.308 0.616 20 0 BCADHN CCCNC(=O)CN1CCN([C@@H](C)CC)CC1 ZINC000337291863 169223081 /nfs/dbraw/zinc/22/30/81/169223081.db2.gz FICLAJHQUYYXSR-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CCCNC(=O)CN1CC[C@H]2CCN(C)C[C@@H]21 ZINC000376663280 169223108 /nfs/dbraw/zinc/22/31/08/169223108.db2.gz IHPPDQJUSYHAPI-NEPJUHHUSA-N 0 3 239.363 0.539 20 0 BCADHN CCCNC(=O)CNC(=O)[C@@]1(C)CCCCN1 ZINC000136145526 169225088 /nfs/dbraw/zinc/22/50/88/169225088.db2.gz KMYMTODSPYRUBI-GFCCVEGCSA-N 0 3 241.335 0.161 20 0 BCADHN CCCNC(=O)CN[C@@H](C1CC1)C(C)(C)CO ZINC000339724972 169227268 /nfs/dbraw/zinc/22/72/68/169227268.db2.gz ILFINESGKIAUMS-LBPRGKRZSA-N 0 3 242.363 0.899 20 0 BCADHN CCCNC(=O)CN[C@H]1CSC[C@H]1C ZINC000308520368 169229086 /nfs/dbraw/zinc/22/90/86/169229086.db2.gz HIDVIKZJULXGSB-BDAKNGLRSA-N 0 3 216.350 0.854 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCOC[C@@H]1OCC ZINC000362029363 169229444 /nfs/dbraw/zinc/22/94/44/169229444.db2.gz SKONZQUGYWUYMT-MNOVXSKESA-N 0 3 244.335 0.296 20 0 BCADHN CCCNC(=O)C1=NO[C@@]2(C1)CCCNC2 ZINC000096091960 169213556 /nfs/dbraw/zinc/21/35/56/169213556.db2.gz PIERGSNZUKLGCA-LLVKDONJSA-N 0 3 225.292 0.411 20 0 BCADHN c1cc(CN[C@H]2CCc3c[nH]nc3C2)n[nH]1 ZINC000309646179 183353558 /nfs/dbraw/zinc/35/35/58/183353558.db2.gz WCAAPQDYYLFINF-VIFPVBQESA-N 0 3 217.276 0.780 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@@H]1CCCCN1 ZINC000045088559 169215807 /nfs/dbraw/zinc/21/58/07/169215807.db2.gz DOIRPDJENFBTIO-JTQLQIEISA-N 0 3 241.335 0.161 20 0 BCADHN CCCNC(=O)CCN[C@@H](C)c1ccnn1C ZINC000192251003 169217032 /nfs/dbraw/zinc/21/70/32/169217032.db2.gz HOGPBPDGCTYGEI-JTQLQIEISA-N 0 3 238.335 0.987 20 0 BCADHN CCCNC(=O)CN(CC)C[C@@H]1CCOC1 ZINC000052071648 169219536 /nfs/dbraw/zinc/21/95/36/169219536.db2.gz AKNPWKLGRLWJLQ-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN CCCNC(=O)CN1CCCC[C@H]1C(=N)NO ZINC000374177007 169221093 /nfs/dbraw/zinc/22/10/93/169221093.db2.gz SDBVMAHDJQMMRK-VIFPVBQESA-N 0 3 242.323 0.323 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CC[C@H](CC(N)=O)C1 ZINC000367369286 169240688 /nfs/dbraw/zinc/24/06/88/169240688.db2.gz BMEVSHWBKDRLCI-NXEZZACHSA-N 0 3 241.335 0.098 20 0 BCADHN CCCNC(=O)[C@@H](C)NCCn1cccn1 ZINC000042540868 169242026 /nfs/dbraw/zinc/24/20/26/169242026.db2.gz RHNYUYMCZKJHFT-SNVBAGLBSA-N 0 3 224.308 0.387 20 0 BCADHN CCCNC(=O)C(C)S(=O)(=O)CC1CC1 ZINC000359919521 169242292 /nfs/dbraw/zinc/24/22/92/169242292.db2.gz UWVQBTMLASIFSF-MRVPVSSYSA-N 0 3 233.333 0.726 20 0 BCADHN CCCNC(=O)[C@H](C)NCCn1cccn1 ZINC000042540871 169246927 /nfs/dbraw/zinc/24/69/27/169246927.db2.gz RHNYUYMCZKJHFT-JTQLQIEISA-N 0 3 224.308 0.387 20 0 BCADHN CCCNC(=O)C(C)S(=O)(=O)[C@@H]1CCOC1 ZINC000362671031 169247132 /nfs/dbraw/zinc/24/71/32/169247132.db2.gz KIDBMLKUGDWSRE-DTWKUNHWSA-N 0 3 249.332 0.105 20 0 BCADHN COC(=O)[C@@H](C1CC1)N(C)C[C@@H]1CCCN1C ZINC000220946291 134315382 /nfs/dbraw/zinc/31/53/82/134315382.db2.gz AUZXRGZOODIYLD-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CCCOCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000336708372 169301999 /nfs/dbraw/zinc/30/19/99/169301999.db2.gz MHGPKPLAVWUYLP-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CCCOCC(=O)N1CCN(C)CC[C@@H]1C ZINC000353995880 169303617 /nfs/dbraw/zinc/30/36/17/169303617.db2.gz ICNKQWGFGROTFX-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCCS(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000070265544 169333983 /nfs/dbraw/zinc/33/39/83/169333983.db2.gz FZWXPSWBHXFUIQ-WDEREUQCSA-N 0 3 246.376 0.943 20 0 BCADHN CCC[C@@H](C)N1CC[C@H](S(N)(=O)=O)C1 ZINC000337326466 169367256 /nfs/dbraw/zinc/36/72/56/169367256.db2.gz WDQNGDFFFHOCIY-BDAKNGLRSA-N 0 3 220.338 0.538 20 0 BCADHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCO)C1 ZINC000081669150 169368422 /nfs/dbraw/zinc/36/84/22/169368422.db2.gz MDALGVONGVYXTG-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CCC[C@@H](C(=O)N[C@@H](C)c1nnc[n-]1)[NH+](C)C ZINC000179487453 169345249 /nfs/dbraw/zinc/34/52/49/169345249.db2.gz XQCUZHUEAXSBCW-IUCAKERBSA-N 0 3 239.323 0.712 20 0 BCADHN CCC[C@@H](C(=O)NCc1ncc[nH]1)N(C)C ZINC000162102776 169345422 /nfs/dbraw/zinc/34/54/22/169345422.db2.gz QRLBSRYKGLOPQE-VIFPVBQESA-N 0 3 224.308 0.756 20 0 BCADHN CCC[C@@H](C)C(=O)NCCN[C@@H]1CCOC1 ZINC000309819502 169350301 /nfs/dbraw/zinc/35/03/01/169350301.db2.gz DIGKWTSFQHDAPS-GHMZBOCLSA-N 0 3 228.336 0.917 20 0 BCADHN CCC[C@@H](C)N(C)CC(=O)NCC(=O)OC ZINC000338946650 169364104 /nfs/dbraw/zinc/36/41/04/169364104.db2.gz YHMPYKBLVWXBAQ-SECBINFHSA-N 0 3 230.308 0.396 20 0 BCADHN CCC[C@@H](N)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000236927791 169387909 /nfs/dbraw/zinc/38/79/09/169387909.db2.gz HCSLEXQJFGVPLL-ZYHUDNBSSA-N 0 3 226.320 0.753 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)Cc1ccon1 ZINC000269061892 169386830 /nfs/dbraw/zinc/38/68/30/169386830.db2.gz KRRZEVAZVSVBPF-SECBINFHSA-N 0 3 211.265 0.760 20 0 BCADHN CCC[C@@H](N)C(=O)NCCC[C@H](O)CC ZINC000336750827 169389565 /nfs/dbraw/zinc/38/95/65/169389565.db2.gz UYTNOLABKXNVBM-NXEZZACHSA-N 0 3 216.325 0.781 20 0 BCADHN CCC[C@@H](N)C(=O)NC[C@H](C)Cn1ccnc1 ZINC000236958113 169389623 /nfs/dbraw/zinc/38/96/23/169389623.db2.gz OHNLHASXLILODF-WDEREUQCSA-N 0 3 238.335 0.763 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000372983270 169390222 /nfs/dbraw/zinc/39/02/22/169390222.db2.gz UHBGAWBLZPIBQO-NXEZZACHSA-N 0 3 236.319 0.511 20 0 BCADHN CCC[C@@H](N)C(=O)NC[C@H]1CCCCO1 ZINC000042823848 169389023 /nfs/dbraw/zinc/38/90/23/169389023.db2.gz ZOIFJMZKHBVCCR-NXEZZACHSA-N 0 3 214.309 0.799 20 0 BCADHN CCC[C@@H](N)C(=O)NCCC[C@@H](O)CC ZINC000336750829 169389106 /nfs/dbraw/zinc/38/91/06/169389106.db2.gz UYTNOLABKXNVBM-VHSXEESVSA-N 0 3 216.325 0.781 20 0 BCADHN CCC[C@@H](N)C(=O)NCCCc1cnn(C)c1 ZINC000158046758 169389154 /nfs/dbraw/zinc/38/91/54/169389154.db2.gz OIBUJDQHWWOYTF-LLVKDONJSA-N 0 3 238.335 0.596 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000236979901 169390444 /nfs/dbraw/zinc/39/04/44/169390444.db2.gz NUMVGMBQSVLWNJ-GZMMTYOYSA-N 0 3 238.335 0.893 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H](C)COCCOC ZINC000353721881 169390461 /nfs/dbraw/zinc/39/04/61/169390461.db2.gz FOWMIBORKDFMDA-NXEZZACHSA-N 0 3 232.324 0.282 20 0 BCADHN CCC[C@@H](N)C(=O)NCc1nnc2ccccn21 ZINC000040828014 169390823 /nfs/dbraw/zinc/39/08/23/169390823.db2.gz FRBBBBRURRNURM-SECBINFHSA-N 0 3 247.302 0.473 20 0 BCADHN CC[C@@H](C(N)=O)N(C)C[C@@H]1CCOC1 ZINC000178774870 535450630 /nfs/dbraw/zinc/45/06/30/535450630.db2.gz BAKPWARROWEOKS-IUCAKERBSA-N 0 3 200.282 0.219 20 0 BCADHN CCC[C@@H](N)C(=O)NC[C@H]1CCOC1 ZINC000037739157 169391026 /nfs/dbraw/zinc/39/10/26/169391026.db2.gz TXXIYUBMQXVVLN-RKDXNWHRSA-N 0 3 200.282 0.267 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1cccc(C(N)=O)c1 ZINC000040854387 169391800 /nfs/dbraw/zinc/39/18/00/169391800.db2.gz BBLSQSGRDCLZTO-SNVBAGLBSA-N 0 3 235.287 0.851 20 0 BCADHN COCCO[C@H]1CCCN(CCOCCO)C1 ZINC000179296154 134319204 /nfs/dbraw/zinc/31/92/04/134319204.db2.gz URTMTLGESVMYKI-LBPRGKRZSA-N 0 3 247.335 0.123 20 0 BCADHN COCCO[C@H]1CCCN(CCO)C1 ZINC000179295860 134319453 /nfs/dbraw/zinc/31/94/53/134319453.db2.gz NTFXQBVUCRXKTC-JTQLQIEISA-N 0 3 203.282 0.106 20 0 BCADHN C[C@]1(C(=O)NN2CCCCC2=O)CCCCN1 ZINC000180945253 134332259 /nfs/dbraw/zinc/33/22/59/134332259.db2.gz YHRAAQMVZIYGJA-GFCCVEGCSA-N 0 3 239.319 0.562 20 0 BCADHN COCC[C@@](C)(O)CN[C@@H](C)c1cnccn1 ZINC000223659484 134341222 /nfs/dbraw/zinc/34/12/22/134341222.db2.gz MWNAJWSEUCSNPY-CMPLNLGQSA-N 0 3 239.319 0.915 20 0 BCADHN CCCN(CC(=O)N(C)C)C[C@H](C)OC ZINC000182078743 134341313 /nfs/dbraw/zinc/34/13/13/134341313.db2.gz DZCBXHUQDZEHPA-JTQLQIEISA-N 0 3 216.325 0.822 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCS(=O)CC1 ZINC000049692718 169450429 /nfs/dbraw/zinc/45/04/29/169450429.db2.gz HRNCZONIHBENCS-SNVBAGLBSA-N 0 3 232.349 0.095 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)Cc1noc(C)n1 ZINC000262377364 169544964 /nfs/dbraw/zinc/54/49/64/169544964.db2.gz JTMFCSJMUGBKCY-NSHDSACASA-N 0 3 240.307 0.854 20 0 BCADHN CC[C@H](C(=O)N(C)Cc1noc(C)n1)N(C)C ZINC000183326096 134350617 /nfs/dbraw/zinc/35/06/17/134350617.db2.gz BJJHGWAULMMOIV-SECBINFHSA-N 0 3 240.307 0.677 20 0 BCADHN CN(Cc1ccc(CO)o1)C[C@H](O)C1CC1 ZINC000685460548 487528293 /nfs/dbraw/zinc/52/82/93/487528293.db2.gz AQVLYXYVOSXFND-LBPRGKRZSA-N 0 3 225.288 0.975 20 0 BCADHN CCC[C@@H](N)C(=O)NCc1noc(C)n1 ZINC000225486660 134353568 /nfs/dbraw/zinc/35/35/68/134353568.db2.gz HCPOSPHHYSYJOR-SSDOTTSWSA-N 0 3 212.253 0.122 20 0 BCADHN CC[C@@H]1CC[C@H](C)N1CCNS(C)(=O)=O ZINC000357531893 171054595 /nfs/dbraw/zinc/05/45/95/171054595.db2.gz RZHBZNSBYRPNFQ-VHSXEESVSA-N 0 3 234.365 0.799 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](N)C(C)C)CCO1 ZINC000036770014 171066801 /nfs/dbraw/zinc/06/68/01/171066801.db2.gz JHENNEPSEMJZDA-ZJUUUORDSA-N 0 3 214.309 0.607 20 0 BCADHN CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000262085489 535464043 /nfs/dbraw/zinc/46/40/43/535464043.db2.gz FXYRPDLARXCOKF-XFWSIPNHSA-N 0 3 214.284 0.991 20 0 BCADHN C[C@@H](O)C1CCN(CCN2CCOCC2)CC1 ZINC000225781023 134357316 /nfs/dbraw/zinc/35/73/16/134357316.db2.gz YVLYAMARXJVSDP-GFCCVEGCSA-N 0 3 242.363 0.411 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H]1CC1(C)C ZINC000183940351 134357751 /nfs/dbraw/zinc/35/77/51/134357751.db2.gz VDZJTAKUOYHLBG-SNVBAGLBSA-N 0 3 228.336 0.463 20 0 BCADHN Cc1c(CNC(=O)[C@H]2CCCCN2)cnn1C ZINC000226413486 134365460 /nfs/dbraw/zinc/36/54/60/134365460.db2.gz PSFKBGGYOFSWBG-LLVKDONJSA-N 0 3 236.319 0.487 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CCN(C)C[C@H]1C ZINC000226402907 134365754 /nfs/dbraw/zinc/36/57/54/134365754.db2.gz LMHOWJKNZPHOAM-MNOVXSKESA-N 0 3 227.352 0.522 20 0 BCADHN CCc1nnc(CN(C)CCN(C)C2CC2)[nH]1 ZINC000184693311 134368231 /nfs/dbraw/zinc/36/82/31/134368231.db2.gz JHOICZGKFZFIRA-UHFFFAOYSA-N 0 3 237.351 0.893 20 0 BCADHN COC(=O)[C@@H]1CN(CC(OC)OC)C[C@H]1C ZINC000227328547 134377998 /nfs/dbraw/zinc/37/79/98/134377998.db2.gz PQBAIOXXEDNDGZ-RKDXNWHRSA-N 0 3 231.292 0.346 20 0 BCADHN CCCCN(C(=O)[C@@H](CN)OC)C1CC1 ZINC000227365376 134378548 /nfs/dbraw/zinc/37/85/48/134378548.db2.gz UVPJHPVBBBECBM-SNVBAGLBSA-N 0 3 214.309 0.751 20 0 BCADHN CCC[C@H](CC)NC(=O)[C@H](CN)OC ZINC000227380256 134379333 /nfs/dbraw/zinc/37/93/33/134379333.db2.gz RYSXYYLVZWBZEF-IUCAKERBSA-N 0 3 202.298 0.655 20 0 BCADHN CC[C@@H](O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000301016280 383823546 /nfs/dbraw/zinc/82/35/46/383823546.db2.gz ZQWRAEDYVUQFLC-PSASIEDQSA-N 0 3 212.297 0.705 20 0 BCADHN C[C@H](N[C@H]1CO[C@@H](C)C1)C(=O)N1CCCC1 ZINC000647208450 383839896 /nfs/dbraw/zinc/83/98/96/383839896.db2.gz QAUHNNARERUGSV-GARJFASQSA-N 0 3 226.320 0.764 20 0 BCADHN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CNC ZINC000237062280 383847185 /nfs/dbraw/zinc/84/71/85/383847185.db2.gz HUUVQFBJOQAKFZ-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CN(CCn1cccn1)CCN1CCCC1=O ZINC000111282302 383849945 /nfs/dbraw/zinc/84/99/45/383849945.db2.gz QWQACKXBBKFSGJ-UHFFFAOYSA-N 0 3 236.319 0.437 20 0 BCADHN CCN(C[C@H](C)O)C(=O)N[C@@H](C)CN(C)C ZINC000358526223 383852621 /nfs/dbraw/zinc/85/26/21/383852621.db2.gz OMZUXDRWQMIYOZ-UWVGGRQHSA-N 0 3 231.340 0.349 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@H](O)c1ccccc1 ZINC000035605571 383862814 /nfs/dbraw/zinc/86/28/14/383862814.db2.gz ONBIYDSEBMAMOH-NWDGAFQWSA-N 0 3 236.315 0.820 20 0 BCADHN C[C@H](NCCN1CCNC1=O)c1cccnc1 ZINC000035692102 383870780 /nfs/dbraw/zinc/87/07/80/383870780.db2.gz UUWUVWHISZSCRL-JTQLQIEISA-N 0 3 234.303 0.757 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)CC(F)F)C1CC1 ZINC000308643610 383875526 /nfs/dbraw/zinc/87/55/26/383875526.db2.gz FPNIFLXJACDQCG-FSPLSTOPSA-N 0 3 206.236 0.884 20 0 BCADHN CC[C@H](CO)NCc1ccc(C(N)=O)cc1 ZINC000035118340 383830998 /nfs/dbraw/zinc/83/09/98/383830998.db2.gz PYEDDBXEIYBQGM-LLVKDONJSA-N 0 3 222.288 0.646 20 0 BCADHN CCCCN(C)CCNC(=O)[C@@H](C)OC ZINC000112309882 383913538 /nfs/dbraw/zinc/91/35/38/383913538.db2.gz YNLLMAOZSFVMCE-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN Cn1nccc1CNCCCC(=O)NC1CC1 ZINC000112346192 383918384 /nfs/dbraw/zinc/91/83/84/383918384.db2.gz DFKBPQHRXFFJNT-UHFFFAOYSA-N 0 3 236.319 0.569 20 0 BCADHN CC[C@@H](C)NC(=O)CCNCc1cncn1C ZINC000112343330 383919885 /nfs/dbraw/zinc/91/98/85/383919885.db2.gz PQNGCBLKCLEBQT-SNVBAGLBSA-N 0 3 238.335 0.815 20 0 BCADHN COC[C@H](CNCc1ccccn1)OC ZINC000227707672 134384938 /nfs/dbraw/zinc/38/49/38/134384938.db2.gz OIZXEPUVNAQRKG-NSHDSACASA-N 0 3 210.277 0.833 20 0 BCADHN CC[C@H](COC)NC(=O)C1(N)CCC1 ZINC000088051273 383925581 /nfs/dbraw/zinc/92/55/81/383925581.db2.gz AALFOGSPUSTPCN-MRVPVSSYSA-N 0 3 200.282 0.409 20 0 BCADHN C[C@@H]1C[C@H](NCc2ccc(CC(N)=O)cc2)CO1 ZINC000647211755 383926748 /nfs/dbraw/zinc/92/67/48/383926748.db2.gz WCUPCVAHEFXYGR-MFKMUULPSA-N 0 3 248.326 0.981 20 0 BCADHN CNC(=O)CCCN1CCS[C@H](C)C1 ZINC000518471623 383928028 /nfs/dbraw/zinc/92/80/28/383928028.db2.gz WSOVOZMCSRTPAP-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000037027615 383930500 /nfs/dbraw/zinc/93/05/00/383930500.db2.gz WGXWYLQWKGDSAK-JTQLQIEISA-N 0 3 245.286 0.943 20 0 BCADHN CCN(C)CCNC(=O)c1cnccc1N ZINC000088112652 383882186 /nfs/dbraw/zinc/88/21/86/383882186.db2.gz RIROFVQYTRTTEH-UHFFFAOYSA-N 0 3 222.292 0.345 20 0 BCADHN C[C@H](O)CNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000186657989 383883362 /nfs/dbraw/zinc/88/33/62/383883362.db2.gz AXJIJQRGUDDSTE-MNOVXSKESA-N 0 3 243.351 0.398 20 0 BCADHN COC(=O)C(C)(C)CNC(=O)[C@@H](N)C(C)C ZINC000237112504 383894955 /nfs/dbraw/zinc/89/49/55/383894955.db2.gz CPOKFXRSULOBOX-QMMMGPOBSA-N 0 3 230.308 0.285 20 0 BCADHN CC(C)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000070250237 383899538 /nfs/dbraw/zinc/89/95/38/383899538.db2.gz OXLBWKQKSPOXPK-UHFFFAOYSA-N 0 3 234.365 0.751 20 0 BCADHN CCN1OC[C@H](N[C@@H](C)[C@@H]2CCCOC2)C1=O ZINC000643611150 383904294 /nfs/dbraw/zinc/90/42/94/383904294.db2.gz QUDQJZGSDUELAE-AXFHLTTASA-N 0 3 242.319 0.553 20 0 BCADHN CN(C)Cc1ccc(C(=O)N2CC(C)(O)C2)cc1 ZINC000089644525 383984717 /nfs/dbraw/zinc/98/47/17/383984717.db2.gz OSOPRJQVBCOKHQ-UHFFFAOYSA-N 0 3 248.326 0.955 20 0 BCADHN CN(Cc1ccccc1)C[C@@H](O)Cn1ccnn1 ZINC000643742927 383989328 /nfs/dbraw/zinc/98/93/28/383989328.db2.gz BUPUGTMBSIAQMU-CYBMUJFWSA-N 0 3 246.314 0.771 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@@H]1CCC[C@@H](F)C1 ZINC000518536815 383990586 /nfs/dbraw/zinc/99/05/86/383990586.db2.gz NWCGWHNHGGPRRA-GMTAPVOTSA-N 0 3 244.310 0.762 20 0 BCADHN CN(Cc1ccccc1)C[C@H](O)Cn1ccnn1 ZINC000643742928 383990771 /nfs/dbraw/zinc/99/07/71/383990771.db2.gz BUPUGTMBSIAQMU-ZDUSSCGKSA-N 0 3 246.314 0.771 20 0 BCADHN CC[C@@H](NCc1cncnc1OC)[C@H](C)O ZINC000647215297 383999650 /nfs/dbraw/zinc/99/96/50/383999650.db2.gz OPPYFRQGWRYFHP-WCBMZHEXSA-N 0 3 225.292 0.734 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N[C@]1(C)CCOC1 ZINC000123584584 383941664 /nfs/dbraw/zinc/94/16/64/383941664.db2.gz MWMWNQLGERPQFM-CMPLNLGQSA-N 0 3 241.335 0.559 20 0 BCADHN CO[C@@H](CN[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000400230689 383941982 /nfs/dbraw/zinc/94/19/82/383941982.db2.gz LYLCLJULTCXURM-ZJUUUORDSA-N 0 3 212.293 0.232 20 0 BCADHN CO[C@@]1(C)C[C@H](N(C)C(=O)[C@@H](C)N)C1(C)C ZINC000237154376 383952241 /nfs/dbraw/zinc/95/22/41/383952241.db2.gz MAYXENGUVCNEBM-PTRXPTGYSA-N 0 3 228.336 0.996 20 0 BCADHN c1ncn(CCN2CCCO[C@@H]3CCC[C@H]32)n1 ZINC000363410228 383959189 /nfs/dbraw/zinc/95/91/89/383959189.db2.gz CQTZEEHAGCXEFB-VXGBXAGGSA-N 0 3 236.319 0.922 20 0 BCADHN c1ncn(CCN2CCCO[C@H]3CCC[C@@H]32)n1 ZINC000363410227 383960154 /nfs/dbraw/zinc/96/01/54/383960154.db2.gz CQTZEEHAGCXEFB-RYUDHWBXSA-N 0 3 236.319 0.922 20 0 BCADHN CCCCNC(=O)CNC1(CO)CCCC1 ZINC000053069240 134385988 /nfs/dbraw/zinc/38/59/88/134385988.db2.gz DWGIYBBICBSDNO-UHFFFAOYSA-N 0 3 228.336 0.797 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000518515674 383974028 /nfs/dbraw/zinc/97/40/28/383974028.db2.gz TZXYTLBMHCCVCM-WCBMZHEXSA-N 0 3 233.271 0.019 20 0 BCADHN C[C@@H](NCCN1C(=O)CNC1=O)c1cccnc1 ZINC000113308650 383976650 /nfs/dbraw/zinc/97/66/50/383976650.db2.gz PSXDOAZWEVQSBH-SECBINFHSA-N 0 3 248.286 0.284 20 0 BCADHN C[C@@H]1C[C@H](N(C)C(=O)C2(C)COC2)CCN1C ZINC000336498254 384016577 /nfs/dbraw/zinc/01/65/77/384016577.db2.gz GTINRJYDSACBJE-GHMZBOCLSA-N 0 3 240.347 0.964 20 0 BCADHN Cn1cc([C@@H](CO)NC[C@H]2CCSC2)cn1 ZINC000278551662 384018479 /nfs/dbraw/zinc/01/84/79/384018479.db2.gz VDQBWTVWQNIOMG-MWLCHTKSSA-N 0 3 241.360 0.796 20 0 BCADHN Cn1cc([C@H](CO)NC[C@@H]2CCSC2)cn1 ZINC000278551665 384018660 /nfs/dbraw/zinc/01/86/60/384018660.db2.gz VDQBWTVWQNIOMG-ONGXEEELSA-N 0 3 241.360 0.796 20 0 BCADHN Cn1ccc(CN[C@@]2(CCO)CCOC2)c1 ZINC000278554401 384019612 /nfs/dbraw/zinc/01/96/12/384019612.db2.gz ZPLCGCCTBGNNLL-LBPRGKRZSA-N 0 3 224.304 0.656 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)Cc1cnn(C)c1 ZINC000037800781 384021069 /nfs/dbraw/zinc/02/10/69/384021069.db2.gz GSBGJOSNQGNGKR-GFCCVEGCSA-N 0 3 238.335 0.896 20 0 BCADHN COC[C@@H](O)CN[C@H](CO)c1ccccc1 ZINC000068892062 384021354 /nfs/dbraw/zinc/02/13/54/384021354.db2.gz WUDNYYQSQXTIKW-NWDGAFQWSA-N 0 3 225.288 0.317 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)C1CCCCC1 ZINC000152725277 384024509 /nfs/dbraw/zinc/02/45/09/384024509.db2.gz SLBATHOWRHKSPF-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](C(=O)NC(C)(C)CO)N(C)C ZINC000332487391 384025893 /nfs/dbraw/zinc/02/58/93/384025893.db2.gz PWBWWFMERLXCCA-QMMMGPOBSA-N 0 3 202.298 0.214 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)CO ZINC000518559571 384010088 /nfs/dbraw/zinc/01/00/88/384010088.db2.gz BFBFQUKMAVPYLO-GXSJLCMTSA-N 0 3 240.347 0.604 20 0 BCADHN C[C@H](O)CCN(C)CCc1cnn(C)c1 ZINC000075781631 384043916 /nfs/dbraw/zinc/04/39/16/384043916.db2.gz BXOHZSMMFDPKQI-JTQLQIEISA-N 0 3 211.309 0.665 20 0 BCADHN CCNC(=O)CCC(=O)N1CCN[C@H](C)[C@H]1C ZINC000648127637 384053749 /nfs/dbraw/zinc/05/37/49/384053749.db2.gz AVFMFLSFAOOLBA-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CCCN1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000148198416 384047562 /nfs/dbraw/zinc/04/75/62/384047562.db2.gz IIZJLAJXASJDBC-WDEREUQCSA-N 0 3 200.326 0.783 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccnc(CN)c2)[C@@H]1C ZINC000648127657 384053538 /nfs/dbraw/zinc/05/35/38/384053538.db2.gz DTWGHGUJIJFWOG-NXEZZACHSA-N 0 3 248.330 0.363 20 0 BCADHN COCCNCCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403469380 533026888 /nfs/dbraw/zinc/02/68/88/533026888.db2.gz OCZXCXOQBYMJLS-TUAOUCFPSA-N 0 3 240.347 0.775 20 0 BCADHN CN1CCC[C@@H](CNS(=O)(=O)C2(C)CC2)C1 ZINC000560272620 384028654 /nfs/dbraw/zinc/02/86/54/384028654.db2.gz VLNMWVYBYUJFBJ-JTQLQIEISA-N 0 3 246.376 0.800 20 0 BCADHN CCNC(=O)CCC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000648127640 384052678 /nfs/dbraw/zinc/05/26/78/384052678.db2.gz AVFMFLSFAOOLBA-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN O=C([N-]c1nnc2ccccn21)[C@@H]1CCC[NH2+]1 ZINC000069142555 384031103 /nfs/dbraw/zinc/03/11/03/384031103.db2.gz OOOOPBRAJSNFNH-QMMMGPOBSA-N 0 3 231.259 0.420 20 0 BCADHN C[C@H](N[C@@H](C)[C@@H]1CCOC1)c1nnnn1C ZINC000309584953 384031235 /nfs/dbraw/zinc/03/12/35/384031235.db2.gz RNOIJVYYJYPZPI-XHNCKOQMSA-N 0 3 225.296 0.286 20 0 BCADHN CC[C@H](COC)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000090181846 384032035 /nfs/dbraw/zinc/03/20/35/384032035.db2.gz LNABJFKDNDSJHH-ZJUUUORDSA-N 0 3 226.320 0.764 20 0 BCADHN CN(CCN1C(=O)CNC1=O)Cc1ccccc1 ZINC000074113271 384032841 /nfs/dbraw/zinc/03/28/41/384032841.db2.gz YLCOJSHGKWURIH-UHFFFAOYSA-N 0 3 247.298 0.670 20 0 BCADHN OCCCc1cn(CCN2CCCC2)nn1 ZINC000163611516 384037713 /nfs/dbraw/zinc/03/77/13/384037713.db2.gz MSQSEUQSQCDCAS-UHFFFAOYSA-N 0 3 224.308 0.299 20 0 BCADHN COCCNC(=O)C1(N[C@@H]2CO[C@H](C)C2)CC1 ZINC000647217317 384039526 /nfs/dbraw/zinc/03/95/26/384039526.db2.gz LDGQOIPXMUSZLZ-ZJUUUORDSA-N 0 3 242.319 0.049 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CCC(C)(O)CC1 ZINC000335866018 384042127 /nfs/dbraw/zinc/04/21/27/384042127.db2.gz HLGKYBFODSXMHD-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN CN(CCO)C[C@H](O)COCc1ccccc1 ZINC000070192071 384086628 /nfs/dbraw/zinc/08/66/28/384086628.db2.gz WGKUECDARZFVKX-ZDUSSCGKSA-N 0 3 239.315 0.488 20 0 BCADHN CC(C)NC(=O)NCCN1CCC[C@H](CO)C1 ZINC000569452297 384054972 /nfs/dbraw/zinc/05/49/72/384054972.db2.gz LUEKGSXTIUSUAL-NSHDSACASA-N 0 3 243.351 0.398 20 0 BCADHN CCn1nccc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000648127696 384055259 /nfs/dbraw/zinc/05/52/59/384055259.db2.gz MLRSCFWTTGMWGY-ZJUUUORDSA-N 0 3 236.319 0.725 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H](OC)C1 ZINC000076343619 384057276 /nfs/dbraw/zinc/05/72/76/384057276.db2.gz PKSIYLLAKFNFMA-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN Cc1n[nH]c(C)c1CN1CCC(O)CC1 ZINC000076642568 384061928 /nfs/dbraw/zinc/06/19/28/384061928.db2.gz AIYKBJPOAOSXLJ-UHFFFAOYSA-N 0 3 209.293 0.983 20 0 BCADHN CC[C@@H](C)NCc1cn(CC(=O)OC)nn1 ZINC000090707809 384068374 /nfs/dbraw/zinc/06/83/74/384068374.db2.gz VNVFVBVQMGIXIC-MRVPVSSYSA-N 0 3 226.280 0.339 20 0 BCADHN CSCC[C@@H](N)C(=O)N1CCO[C@H](C)C1 ZINC000077558554 384070873 /nfs/dbraw/zinc/07/08/73/384070873.db2.gz IDVFQGYBXNQOBU-RKDXNWHRSA-N 0 3 232.349 0.314 20 0 BCADHN CC(=O)[C@@](C)(O)CN(C)CC[C@H](C)O ZINC000332515609 384071611 /nfs/dbraw/zinc/07/16/11/384071611.db2.gz ZPGWUFVHXPIEFC-WPRPVWTQSA-N 0 3 203.282 0.029 20 0 BCADHN CN(C)CCn1nnnc1S[C@H]1CCOC1 ZINC000569470804 384092219 /nfs/dbraw/zinc/09/22/19/384092219.db2.gz FAVLLNLRFMASJA-QMMMGPOBSA-N 0 3 243.336 0.116 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCOC1)c1cccnc1 ZINC000090848858 384078441 /nfs/dbraw/zinc/07/84/41/384078441.db2.gz OZMJTFLMZRBKQM-PWSUYJOCSA-N 0 3 222.288 0.884 20 0 BCADHN C[C@H](NC[C@@]1(O)CCOC1)c1ccccn1 ZINC000090848849 384080448 /nfs/dbraw/zinc/08/04/48/384080448.db2.gz GQXJKRYIUUIWNY-JQWIXIFHSA-N 0 3 222.288 0.884 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cn2ccccc2n1 ZINC000569472927 384099583 /nfs/dbraw/zinc/09/95/83/384099583.db2.gz SVSSJEGAWJGKPG-VIFPVBQESA-N 0 3 232.287 0.558 20 0 BCADHN CO[C@H](C)[C@H](C)NCC(=O)NC(C)C ZINC000132232233 384102456 /nfs/dbraw/zinc/10/24/56/384102456.db2.gz VISHCBSLYGITSP-DTWKUNHWSA-N 0 3 202.298 0.524 20 0 BCADHN CC(=O)NCCN(C)CC[C@@H]1CCCO1 ZINC000560378086 384103105 /nfs/dbraw/zinc/10/31/05/384103105.db2.gz GGTFQEFAXWRVDA-NSHDSACASA-N 0 3 214.309 0.623 20 0 BCADHN O=C1CCCN1[C@H]1CCCN(CCO)C1 ZINC000308734194 384094501 /nfs/dbraw/zinc/09/45/01/384094501.db2.gz XBCPTLHYMIIHNV-JTQLQIEISA-N 0 3 212.293 0.066 20 0 BCADHN Cc1ccc(CN2C[C@H](O)[C@H](CO)C2)cc1 ZINC000317691879 384126305 /nfs/dbraw/zinc/12/63/05/384126305.db2.gz RGQCMYGWYGDELS-STQMWFEESA-N 0 3 221.300 0.780 20 0 BCADHN CC(=O)N1CC[C@H](N[C@H](C)c2cnn(C)c2)C1 ZINC000408095394 134391951 /nfs/dbraw/zinc/39/19/51/134391951.db2.gz MZWSRYKAZZRDCF-SKDRFNHKSA-N 0 3 236.319 0.692 20 0 BCADHN CCCNC(=O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000302299206 384133011 /nfs/dbraw/zinc/13/30/11/384133011.db2.gz HFRFWKKFCGJNPO-NSHDSACASA-N 0 3 239.323 0.460 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@@H]1NCC1(C)C ZINC000648166891 384147385 /nfs/dbraw/zinc/14/73/85/384147385.db2.gz BIAJWNPGPQTERA-DCAQKATOSA-N 0 3 240.347 0.604 20 0 BCADHN CO[C@H](C)[C@@H](C)NCC(=O)NC(C)C ZINC000132232436 384153380 /nfs/dbraw/zinc/15/33/80/384153380.db2.gz VISHCBSLYGITSP-RKDXNWHRSA-N 0 3 202.298 0.524 20 0 BCADHN CO[C@@H](CC(C)C)CN1C[C@H](O)C[C@H](O)C1 ZINC000642692219 384139880 /nfs/dbraw/zinc/13/98/80/384139880.db2.gz NBYCFVLLFFVRDM-TUAOUCFPSA-N 0 3 231.336 0.475 20 0 BCADHN COC[C@@H](O)CNCc1sc(C)nc1C ZINC000080694871 384174198 /nfs/dbraw/zinc/17/41/98/384174198.db2.gz DUERJQVETUTYHT-VIFPVBQESA-N 0 3 230.333 0.857 20 0 BCADHN Cn1nccc1CNCCSCCCO ZINC000080199789 384163196 /nfs/dbraw/zinc/16/31/96/384163196.db2.gz NYJDKLPTAMEJNB-UHFFFAOYSA-N 0 3 229.349 0.625 20 0 BCADHN Cc1cnc(N2CCCN(CCO)CC2)nc1 ZINC000071349625 384163940 /nfs/dbraw/zinc/16/39/40/384163940.db2.gz DBESZAMFMIIQJT-UHFFFAOYSA-N 0 3 236.319 0.289 20 0 BCADHN CC[C@H](N)C(=O)NCc1cccc(C(N)=O)c1 ZINC000040832068 384166091 /nfs/dbraw/zinc/16/60/91/384166091.db2.gz LPCQFQXGPFFMFW-JTQLQIEISA-N 0 3 235.287 0.139 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1ccc(F)cn1 ZINC000092196410 384167017 /nfs/dbraw/zinc/16/70/17/384167017.db2.gz IQPSVWFWZJZLKO-SCZZXKLOSA-N 0 3 228.267 0.879 20 0 BCADHN CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2)c1 ZINC000040858352 384167934 /nfs/dbraw/zinc/16/79/34/384167934.db2.gz YOJLVDAORKUNCE-NEPJUHHUSA-N 0 3 248.282 0.551 20 0 BCADHN C[C@@H](NCc1cnnn1C)[C@@H]1CCCOC1 ZINC000309744166 384169702 /nfs/dbraw/zinc/16/97/02/384169702.db2.gz FDIFPGJUVNYWPX-NXEZZACHSA-N 0 3 224.308 0.720 20 0 BCADHN CN(C)CCNC(=O)Cc1cn2ccccc2n1 ZINC000041287825 384185366 /nfs/dbraw/zinc/18/53/66/384185366.db2.gz JLLSBOHQVPGKIW-UHFFFAOYSA-N 0 3 246.314 0.555 20 0 BCADHN C[C@@H]1C[C@@H](NCC(=O)NCC(F)(F)F)CO1 ZINC000401870799 384185789 /nfs/dbraw/zinc/18/57/89/384185789.db2.gz BSNPQEZNJXMEJQ-RNFRBKRXSA-N 0 3 240.225 0.432 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@H](COC)C1 ZINC000081061588 384179961 /nfs/dbraw/zinc/17/99/61/384179961.db2.gz NUKNWPSUYOMMND-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@@H](COC)C1 ZINC000081061597 384180473 /nfs/dbraw/zinc/18/04/73/384180473.db2.gz NUKNWPSUYOMMND-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@H]1C[C@H](NCC(=O)NCC(F)(F)F)CO1 ZINC000401870797 384185882 /nfs/dbraw/zinc/18/58/82/384185882.db2.gz BSNPQEZNJXMEJQ-BQBZGAKWSA-N 0 3 240.225 0.432 20 0 BCADHN Cc1ccc(C(=O)NC[C@H]2CNCCO2)o1 ZINC000036285255 384189214 /nfs/dbraw/zinc/18/92/14/384189214.db2.gz CVBUPJMBPUYJCX-SECBINFHSA-N 0 3 224.260 0.306 20 0 BCADHN CC[C@H](C)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000558607558 384193651 /nfs/dbraw/zinc/19/36/51/384193651.db2.gz ILMYLVICSPYEIK-VHSXEESVSA-N 0 3 234.365 0.799 20 0 BCADHN CCC(CC)(NC(=O)[C@H](C)NC)C(=O)OC ZINC000564470211 384197029 /nfs/dbraw/zinc/19/70/29/384197029.db2.gz IVMINDRICDDRKT-QMMMGPOBSA-N 0 3 230.308 0.442 20 0 BCADHN COCC[C@H](C)NC(=O)[C@@H](N)C(C)(C)C ZINC000081711755 384197717 /nfs/dbraw/zinc/19/77/17/384197717.db2.gz MNHFDCBBMRUNLI-DTWKUNHWSA-N 0 3 216.325 0.901 20 0 BCADHN Cc1ccc([O-])c(C(=O)N[C@H](C)C[NH3+])c1 ZINC000082577168 384240898 /nfs/dbraw/zinc/24/08/98/384240898.db2.gz SPMUIBZOJASGGW-MRVPVSSYSA-N 0 3 208.261 0.778 20 0 BCADHN N[C@H](CC(=O)N[C@H]1CCOC1)Cc1ccccc1 ZINC000644160147 384230530 /nfs/dbraw/zinc/23/05/30/384230530.db2.gz FTHRMOPMBVDBGI-STQMWFEESA-N 0 3 248.326 0.852 20 0 BCADHN CN(C(=O)c1ccnn1C)C1CCN(C)CC1 ZINC000082267633 384233299 /nfs/dbraw/zinc/23/32/99/384233299.db2.gz IHFKNKNYGINYNQ-UHFFFAOYSA-N 0 3 236.319 0.586 20 0 BCADHN CC(=O)CCN1CCC[C@@H](Cn2ccnn2)C1 ZINC000119108529 384235996 /nfs/dbraw/zinc/23/59/96/384235996.db2.gz WKRUVFDIJHZLKU-GFCCVEGCSA-N 0 3 236.319 0.969 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccnc(F)c1 ZINC000082541044 384239337 /nfs/dbraw/zinc/23/93/37/384239337.db2.gz ZVFRHULRUHFTSK-UHFFFAOYSA-N 0 3 225.267 0.854 20 0 BCADHN COC[C@H](C)N[C@@H](C)CS(C)(=O)=O ZINC000081898672 384211510 /nfs/dbraw/zinc/21/15/10/384211510.db2.gz SRILXDWBJYPKMX-YUMQZZPRSA-N 0 3 209.311 0.044 20 0 BCADHN C[C@H](CCN(C)C)N[C@H](C)CS(C)(=O)=O ZINC000081900909 384211670 /nfs/dbraw/zinc/21/16/70/384211670.db2.gz FBOMVVZNLZZLBQ-NXEZZACHSA-N 0 3 236.381 0.349 20 0 BCADHN CC(C)N1CCCN([C@@H]2CCNC2=O)CC1 ZINC000336371082 384214113 /nfs/dbraw/zinc/21/41/13/384214113.db2.gz GWOZASYIDONYRP-LLVKDONJSA-N 0 3 225.336 0.291 20 0 BCADHN CC(C)c1cc(C(=O)N2CC(N(C)C)C2)n[nH]1 ZINC000158272852 384216611 /nfs/dbraw/zinc/21/66/11/384216611.db2.gz DISGQJCLVCXMEW-UHFFFAOYSA-N 0 3 236.319 0.919 20 0 BCADHN CN(C)CCNC(=O)Cc1cccc(O)c1 ZINC000042417922 384218017 /nfs/dbraw/zinc/21/80/17/384218017.db2.gz GYWFVONNXGVWSF-UHFFFAOYSA-N 0 3 222.288 0.613 20 0 BCADHN CO[C@H]1CCC[C@@H]1CNC(=O)CNC1CC1 ZINC000644155719 384220767 /nfs/dbraw/zinc/22/07/67/384220767.db2.gz CQEWEZYMHCLYBC-KOLCDFICSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@H](CO)N(C)C[C@H](O)COc1ccccc1 ZINC000118952097 384221469 /nfs/dbraw/zinc/22/14/69/384221469.db2.gz NLYQURHGRUDLKI-NEPJUHHUSA-N 0 3 239.315 0.739 20 0 BCADHN C[C@@H]1CN(CCc2cnccn2)C[C@H]1O ZINC000402892887 384221877 /nfs/dbraw/zinc/22/18/77/384221877.db2.gz GEYSUOLHFIRJGU-MWLCHTKSSA-N 0 3 207.277 0.332 20 0 BCADHN Cc1cnn(CCN[C@@H](C)CS(C)(=O)=O)c1 ZINC000132249751 384222199 /nfs/dbraw/zinc/22/21/99/384222199.db2.gz LZVBLSKEAVBTRY-JTQLQIEISA-N 0 3 245.348 0.214 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCCn2nccc21 ZINC000644155717 384222545 /nfs/dbraw/zinc/22/25/45/384222545.db2.gz BAXFNBPCBXYQHO-SNVBAGLBSA-N 0 3 234.303 0.618 20 0 BCADHN C[C@H]1CCN(CCc2cnccn2)[C@@H]1CO ZINC000402891555 384223225 /nfs/dbraw/zinc/22/32/25/384223225.db2.gz FSEUAVKGPDKSER-CMPLNLGQSA-N 0 3 221.304 0.722 20 0 BCADHN C[C@@H]1c2nncn2CCN1C(=O)[C@H]1NCC1(C)C ZINC000644158951 384225137 /nfs/dbraw/zinc/22/51/37/384225137.db2.gz BONPWLADVCECKV-RKDXNWHRSA-N 0 3 249.318 0.179 20 0 BCADHN Cc1ccc(CNC[C@H](O)CO)cc1F ZINC000082375444 384225235 /nfs/dbraw/zinc/22/52/35/384225235.db2.gz QTRQCNFADCSZBO-JTQLQIEISA-N 0 3 213.252 0.577 20 0 BCADHN CNC(=O)NC(=O)CN1CCC[C@H]2CCC[C@H]21 ZINC000247532591 384226935 /nfs/dbraw/zinc/22/69/35/384226935.db2.gz OIHLVVHKRLEFJV-NXEZZACHSA-N 0 3 239.319 0.707 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000237473319 384227261 /nfs/dbraw/zinc/22/72/61/384227261.db2.gz FALNCJSPWVWDGY-JLLWLGSASA-N 0 3 234.299 0.980 20 0 BCADHN COC(=O)c1ccc(CNCCc2cn[nH]c2)[nH]1 ZINC000291575608 384228945 /nfs/dbraw/zinc/22/89/45/384228945.db2.gz OHQZOZLYTVOEDX-UHFFFAOYSA-N 0 3 248.286 0.857 20 0 BCADHN C[C@H](N)C(=O)NCc1cc(F)ccc1F ZINC000082599776 384244772 /nfs/dbraw/zinc/24/47/72/384244772.db2.gz QYDVNVMYFFDIKJ-LURJTMIESA-N 0 3 214.215 0.928 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)C[C@@H](O)c1ccccc1 ZINC000119232145 384249551 /nfs/dbraw/zinc/24/95/51/384249551.db2.gz HYNKPHZRCKHMQD-JBLDHEPKSA-N 0 3 236.315 0.962 20 0 BCADHN Cc1noc(CCN[C@@H]2CO[C@@H](C)C2)n1 ZINC000401908324 384252745 /nfs/dbraw/zinc/25/27/45/384252745.db2.gz JBDUVTYAXFXBTC-CBAPKCEASA-N 0 3 211.265 0.688 20 0 BCADHN C[C@H]1C[C@@H](NCC(=O)NCC(F)F)CO1 ZINC000401906265 384253216 /nfs/dbraw/zinc/25/32/16/384253216.db2.gz UCBFIVFRCXUWIM-NKWVEPMBSA-N 0 3 222.235 0.135 20 0 BCADHN C[C@H](NCc1cncnc1)[C@@H]1CCOC1 ZINC000127044930 384253710 /nfs/dbraw/zinc/25/37/10/384253710.db2.gz BIONGMYKHXZHGA-GXSJLCMTSA-N 0 3 207.277 0.991 20 0 BCADHN Cc1noc(CCN[C@H]2CO[C@H](C)C2)n1 ZINC000401908328 384254698 /nfs/dbraw/zinc/25/46/98/384254698.db2.gz JBDUVTYAXFXBTC-VXNVDRBHSA-N 0 3 211.265 0.688 20 0 BCADHN C[C@@H](NCc1cncnc1)[C@H]1CCOC1 ZINC000127045643 384254831 /nfs/dbraw/zinc/25/48/31/384254831.db2.gz BIONGMYKHXZHGA-KOLCDFICSA-N 0 3 207.277 0.991 20 0 BCADHN N[C@@H]1CCCc2cn(CC(=O)N3CCCC3)nc21 ZINC000644167883 384255767 /nfs/dbraw/zinc/25/57/67/384255767.db2.gz JDLZFNBBWIDTNU-LLVKDONJSA-N 0 3 248.330 0.842 20 0 BCADHN CCN(C)CCNC(=O)[C@@H](O)c1ccccc1 ZINC000073644223 384258853 /nfs/dbraw/zinc/25/88/53/384258853.db2.gz YRTWSQFGUIKWOZ-LBPRGKRZSA-N 0 3 236.315 0.788 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000119332141 384260312 /nfs/dbraw/zinc/26/03/12/384260312.db2.gz FALNCJSPWVWDGY-DLOVCJGASA-N 0 3 234.299 0.980 20 0 BCADHN CCN(CCCO)CCc1cnccn1 ZINC000402927491 384261680 /nfs/dbraw/zinc/26/16/80/384261680.db2.gz QXYHMEVNQPIOAA-UHFFFAOYSA-N 0 3 209.293 0.723 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000449183845 384262258 /nfs/dbraw/zinc/26/22/58/384262258.db2.gz LLBTVXBPWJADNR-ZMLRMANQSA-N 0 3 237.347 0.480 20 0 BCADHN CCOCC[C@@H](O)CN[C@H](C)c1cn[nH]c1 ZINC000278870780 384265357 /nfs/dbraw/zinc/26/53/57/384265357.db2.gz SQSMCBFQAIKUET-MWLCHTKSSA-N 0 3 227.308 0.848 20 0 BCADHN CN(C)CCNC(=O)CCc1ccncc1 ZINC000082270802 384265685 /nfs/dbraw/zinc/26/56/85/384265685.db2.gz GGYZBSVRASXXOT-UHFFFAOYSA-N 0 3 221.304 0.692 20 0 BCADHN CN(C)c1ncc(CNCCCCO)cn1 ZINC000278867248 384266439 /nfs/dbraw/zinc/26/64/39/384266439.db2.gz YGXCKSWMLPQFHS-UHFFFAOYSA-N 0 3 224.308 0.405 20 0 BCADHN Cn1nccc1CN1CCC[C@@H](CC(N)=O)C1 ZINC000093809091 384269636 /nfs/dbraw/zinc/26/96/36/384269636.db2.gz TZGRDXKQSOMPLC-JTQLQIEISA-N 0 3 236.319 0.508 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@@H](C)[C@@H]1CO ZINC000305170540 384270564 /nfs/dbraw/zinc/27/05/64/384270564.db2.gz JLROCDSIKWGQCB-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@H](O)c1ccc(F)cc1 ZINC000135709062 384272315 /nfs/dbraw/zinc/27/23/15/384272315.db2.gz ZPAVFORZQAPNLU-KWQFWETISA-N 0 3 240.278 0.713 20 0 BCADHN O=S1(=O)CCCN1CCN1CCCCCC1 ZINC000336631989 384273548 /nfs/dbraw/zinc/27/35/48/384273548.db2.gz IUPSCPNDGPBMBZ-UHFFFAOYSA-N 0 3 246.376 0.898 20 0 BCADHN C[C@H](O)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000083007140 384274720 /nfs/dbraw/zinc/27/47/20/384274720.db2.gz VWLAZDHAROSDMB-JGVFFNPUSA-N 0 3 202.298 0.247 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C ZINC000359587261 384276268 /nfs/dbraw/zinc/27/62/68/384276268.db2.gz GKVFPQMTUJLGJT-NXEZZACHSA-N 0 3 214.309 0.431 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@@H](N)[C@@H](C)CC ZINC000159139821 384304102 /nfs/dbraw/zinc/30/41/02/384304102.db2.gz WQTUJPPDTHKDQW-GUBZILKMSA-N 0 3 216.325 0.637 20 0 BCADHN CC[C@](C)(OC)C(=O)NCCN(C)CCOC ZINC000358940207 384306560 /nfs/dbraw/zinc/30/65/60/384306560.db2.gz WFEMXLSEZSYGDM-LBPRGKRZSA-N 0 3 246.351 0.496 20 0 BCADHN C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccccc1[O-] ZINC000335525134 384307197 /nfs/dbraw/zinc/30/71/97/384307197.db2.gz FFAWVSIGEYBLDK-WPRPVWTQSA-N 0 3 220.272 0.954 20 0 BCADHN CCN(CCO)CCc1nccs1 ZINC000159161904 384307495 /nfs/dbraw/zinc/30/74/95/384307495.db2.gz KLIBOSODGWZPQW-UHFFFAOYSA-N 0 3 200.307 1.000 20 0 BCADHN COCCCNCc1cncnc1OC ZINC000647166277 384307736 /nfs/dbraw/zinc/30/77/36/384307736.db2.gz HASCAMQBQHTLHP-UHFFFAOYSA-N 0 3 211.265 0.611 20 0 BCADHN Cc1cc(CC(=O)N2C[C@H]3CCN(C)[C@H]3C2)on1 ZINC000566365670 384322499 /nfs/dbraw/zinc/32/24/99/384322499.db2.gz ZBGBZXZGUZVHST-PWSUYJOCSA-N 0 3 249.314 0.688 20 0 BCADHN Cc1ccsc1CNC(CO)CO ZINC000083690554 384322388 /nfs/dbraw/zinc/32/23/88/384322388.db2.gz OQQLBTDPCCCTHP-UHFFFAOYSA-N 0 3 201.291 0.499 20 0 BCADHN CN(CCc1ccccn1)CC(C)(CO)CO ZINC000133745047 384309738 /nfs/dbraw/zinc/30/97/38/384309738.db2.gz AMGFVTPOWAUJBN-UHFFFAOYSA-N 0 3 238.331 0.547 20 0 BCADHN CCS(=O)(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000083551083 384311833 /nfs/dbraw/zinc/31/18/33/384311833.db2.gz NPNWOSBRCIZNGF-UWVGGRQHSA-N 0 3 232.349 0.505 20 0 BCADHN CNC(=O)[C@H](CC(C)C)N[C@H]1CO[C@H](C)C1 ZINC000401934599 384314048 /nfs/dbraw/zinc/31/40/48/384314048.db2.gz ZOIBCEKUOGNALQ-MXWKQRLJSA-N 0 3 228.336 0.914 20 0 BCADHN Cc1cc(CC(=O)N2CCCN(C)CC2)[nH]n1 ZINC000133800956 384314743 /nfs/dbraw/zinc/31/47/43/384314743.db2.gz OJAGBHFIXBDZHS-UHFFFAOYSA-N 0 3 236.319 0.425 20 0 BCADHN CN(CCOCC1CC1)CCN1CCCC1=O ZINC000119908437 384315344 /nfs/dbraw/zinc/31/53/44/384315344.db2.gz KAFSOOSJPYKMHI-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CCNC(C)(C)C1 ZINC000308825866 384320731 /nfs/dbraw/zinc/32/07/31/384320731.db2.gz AEQMDGZLFPFXKK-SECBINFHSA-N 0 3 214.309 0.214 20 0 BCADHN CN(C)CCN(C)C(=O)NCC(F)(F)F ZINC000083058596 384279278 /nfs/dbraw/zinc/27/92/78/384279278.db2.gz YBEAQZYWNGNAEF-UHFFFAOYSA-N 0 3 227.230 0.752 20 0 BCADHN C[C@H]1C[C@@H](NCCNC(=O)C2CC2)CO1 ZINC000401914565 384281655 /nfs/dbraw/zinc/28/16/55/384281655.db2.gz ZQZXGCQYUUILNT-WCBMZHEXSA-N 0 3 212.293 0.280 20 0 BCADHN CCCCOCCNC(=O)[C@@H](N)CC ZINC000040507686 384284643 /nfs/dbraw/zinc/28/46/43/384284643.db2.gz VEWFTUDVCNPNCB-VIFPVBQESA-N 0 3 202.298 0.657 20 0 BCADHN Cn1cccc(NC(=O)[C@@]2(F)CCNC2)c1=O ZINC000370773538 384292053 /nfs/dbraw/zinc/29/20/53/384292053.db2.gz OOKFNAFTRXEECC-LLVKDONJSA-N 0 3 239.250 0.025 20 0 BCADHN C[C@H]1C[C@@H](NCC2(S(C)(=O)=O)CC2)CO1 ZINC000401922955 384292233 /nfs/dbraw/zinc/29/22/33/384292233.db2.gz PDHZHUYQMSSJQJ-DTWKUNHWSA-N 0 3 233.333 0.331 20 0 BCADHN Cc1ccccc1[C@@H](N)C(=O)NCc1nc[nH]n1 ZINC000648150646 384293782 /nfs/dbraw/zinc/29/37/82/384293782.db2.gz XUNNQGDPHLXDJE-LLVKDONJSA-N 0 3 245.286 0.429 20 0 BCADHN Cc1ccccc1[C@@H](N)C(=O)NCc1nnc[nH]1 ZINC000648150646 384293789 /nfs/dbraw/zinc/29/37/89/384293789.db2.gz XUNNQGDPHLXDJE-LLVKDONJSA-N 0 3 245.286 0.429 20 0 BCADHN Cc1noc(C)c1CNC(=O)NCCN(C)C ZINC000133531686 384297061 /nfs/dbraw/zinc/29/70/61/384297061.db2.gz YAUOPQLXPNPDLE-UHFFFAOYSA-N 0 3 240.307 0.652 20 0 BCADHN CO[C@@H](C)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000335570799 384334975 /nfs/dbraw/zinc/33/49/75/384334975.db2.gz JIONGFKSEPOKNO-JQWIXIFHSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H]1CN(c2ncc(Cl)cn2)CCN1 ZINC000095069507 384335578 /nfs/dbraw/zinc/33/55/78/384335578.db2.gz MKCANXPEGFGDBN-SSDOTTSWSA-N 0 3 212.684 0.928 20 0 BCADHN CN(Cc1ccncc1)C(=O)C1(N)CC1 ZINC000083834299 384336550 /nfs/dbraw/zinc/33/65/50/384336550.db2.gz BAJDWCUWEHZPGY-UHFFFAOYSA-N 0 3 205.261 0.531 20 0 BCADHN CN1C(=O)CC[C@@H](N[C@@H]2COC(C)(C)C2)C1=O ZINC000334055786 384337362 /nfs/dbraw/zinc/33/73/62/384337362.db2.gz VDLGZVJKSZOFGC-DTWKUNHWSA-N 0 3 240.303 0.291 20 0 BCADHN O=C(CCc1ncccn1)NCCN1CCCC1 ZINC000643785834 384337498 /nfs/dbraw/zinc/33/74/98/384337498.db2.gz PJXYMLCHGHYELV-UHFFFAOYSA-N 0 3 248.330 0.621 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1ccccc1CO ZINC000643652786 384339463 /nfs/dbraw/zinc/33/94/63/384339463.db2.gz XOAOAMKWMDXOEX-WDEREUQCSA-N 0 3 220.272 0.142 20 0 BCADHN Cc1nc(CCNC(=O)[C@@H](C)N)sc1C ZINC000083883848 384342658 /nfs/dbraw/zinc/34/26/58/384342658.db2.gz RUSFVSFNQGCNQC-ZCFIWIBFSA-N 0 3 227.333 0.766 20 0 BCADHN C[C@@H]1C[C@@H](NCC(=O)NC2CCCC2)CO1 ZINC000401989260 384373602 /nfs/dbraw/zinc/37/36/02/384373602.db2.gz CLOFAZKZPNCBCD-MWLCHTKSSA-N 0 3 226.320 0.812 20 0 BCADHN C[C@](O)(CNCc1cnc2cnccn12)C1CC1 ZINC000533466337 384345777 /nfs/dbraw/zinc/34/57/77/384345777.db2.gz AFASONFMRIITAE-ZDUSSCGKSA-N 0 3 246.314 0.980 20 0 BCADHN CCc1nc(CNC(=O)[C@@H](C)N)cs1 ZINC000083934065 384347383 /nfs/dbraw/zinc/34/73/83/384347383.db2.gz BUBCJBWJIDAOQK-ZCFIWIBFSA-N 0 3 213.306 0.669 20 0 BCADHN CCC[N@H+](CC)CCNC(=O)c1c[n-]nn1 ZINC000174643833 384349534 /nfs/dbraw/zinc/34/95/34/384349534.db2.gz GFTOYCHTSNQVLH-UHFFFAOYSA-N 0 3 225.296 0.266 20 0 BCADHN CCC[N@@H+](CC)CCNC(=O)c1c[n-]nn1 ZINC000174643833 384349536 /nfs/dbraw/zinc/34/95/36/384349536.db2.gz GFTOYCHTSNQVLH-UHFFFAOYSA-N 0 3 225.296 0.266 20 0 BCADHN CCC[N@H+](CC)CCNC(=O)c1cnn[n-]1 ZINC000174643833 384349543 /nfs/dbraw/zinc/34/95/43/384349543.db2.gz GFTOYCHTSNQVLH-UHFFFAOYSA-N 0 3 225.296 0.266 20 0 BCADHN CCC[N@@H+](CC)CCNC(=O)c1cnn[n-]1 ZINC000174643833 384349545 /nfs/dbraw/zinc/34/95/45/384349545.db2.gz GFTOYCHTSNQVLH-UHFFFAOYSA-N 0 3 225.296 0.266 20 0 BCADHN CCC[N@H+](CC)CCNC(=O)c1cn[n-]n1 ZINC000174643833 384349549 /nfs/dbraw/zinc/34/95/49/384349549.db2.gz GFTOYCHTSNQVLH-UHFFFAOYSA-N 0 3 225.296 0.266 20 0 BCADHN CCC[N@@H+](CC)CCNC(=O)c1cn[n-]n1 ZINC000174643833 384349552 /nfs/dbraw/zinc/34/95/52/384349552.db2.gz GFTOYCHTSNQVLH-UHFFFAOYSA-N 0 3 225.296 0.266 20 0 BCADHN C[C@@H]1C[C@H](O)CN(CCc2cnn(C)c2)C1 ZINC000335585899 384350477 /nfs/dbraw/zinc/35/04/77/384350477.db2.gz GIKLPLIMRIXRHE-PWSUYJOCSA-N 0 3 223.320 0.665 20 0 BCADHN COC(=O)CNC(=O)CN1CCCC[C@@H](C)C1 ZINC000187952684 384353080 /nfs/dbraw/zinc/35/30/80/384353080.db2.gz HQTLSYWNPZVCSZ-SNVBAGLBSA-N 0 3 242.319 0.398 20 0 BCADHN CCOC[C@H](O)CN1CCN(C)C[C@H]1C ZINC000300353684 384354744 /nfs/dbraw/zinc/35/47/44/384354744.db2.gz NDUPWOJCWIAVPZ-GHMZBOCLSA-N 0 3 216.325 0.020 20 0 BCADHN CC[C@@H](COC)N[C@H](C)CS(=O)(=O)CC ZINC000089637128 384355699 /nfs/dbraw/zinc/35/56/99/384355699.db2.gz FETDMQAJCUUUKI-ZJUUUORDSA-N 0 3 237.365 0.824 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@H](C)C(N)=O)C1(C)C ZINC000300359388 384358366 /nfs/dbraw/zinc/35/83/66/384358366.db2.gz IPQJKWUCKHCBNW-BWZBUEFSSA-N 0 3 200.282 0.263 20 0 BCADHN CCN(CC)CC(=O)NCc1nccc(N)n1 ZINC000120527564 384359407 /nfs/dbraw/zinc/35/94/07/384359407.db2.gz WUWXLBIRJNYZRZ-UHFFFAOYSA-N 0 3 237.307 0.017 20 0 BCADHN C[C@@H](N)C(=O)N1CCC2(C1)CCOCC2 ZINC000095088849 384360469 /nfs/dbraw/zinc/36/04/69/384360469.db2.gz ICNQNJFPZSDDKK-SECBINFHSA-N 0 3 212.293 0.363 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCC2(C1)CCOCC2 ZINC000095087966 384360808 /nfs/dbraw/zinc/36/08/08/384360808.db2.gz BJXFBPGLVXRVLL-LLVKDONJSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@@H]1OCC[C@]1(C)N[C@H]1CCN(C)C1=O ZINC000300371156 384360814 /nfs/dbraw/zinc/36/08/14/384360814.db2.gz UVDRMBOOJOIDGD-QXEWZRGKSA-N 0 3 212.293 0.374 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](O)C1(C)C ZINC000335593760 384361199 /nfs/dbraw/zinc/36/11/99/384361199.db2.gz PSDIOXQZGWSWRG-VIFPVBQESA-N 0 3 214.309 0.310 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCN(C)C1)c1ncc[nH]1 ZINC000330364052 384363026 /nfs/dbraw/zinc/36/30/26/384363026.db2.gz COYIDTUTTJATSV-KOLCDFICSA-N 0 3 224.308 0.127 20 0 BCADHN Cc1cnn(CCN2C[C@@H](O)C[C@H]2C)c1 ZINC000335594489 384363564 /nfs/dbraw/zinc/36/35/64/384363564.db2.gz LEWSQGXXQBRNRK-MNOVXSKESA-N 0 3 209.293 0.647 20 0 BCADHN CC1(C)[C@@H](O)CCN1C[C@@H](O)C(F)(F)F ZINC000335598837 384364035 /nfs/dbraw/zinc/36/40/35/384364035.db2.gz WWDHAVSMLYUKLG-NKWVEPMBSA-N 0 3 227.226 0.755 20 0 BCADHN Cc1cnn(CCN2C[C@H](O)C[C@@H]2C)c1 ZINC000335594491 384364108 /nfs/dbraw/zinc/36/41/08/384364108.db2.gz LEWSQGXXQBRNRK-WDEREUQCSA-N 0 3 209.293 0.647 20 0 BCADHN Cn1nncc1CN[C@@H]1CCC[C@H]1CCO ZINC000330364109 384364304 /nfs/dbraw/zinc/36/43/04/384364304.db2.gz DYVMNMWTNOECAS-GXSJLCMTSA-N 0 3 224.308 0.456 20 0 BCADHN CC[C@H](N[C@H]1CCO[C@H]1C1CC1)C(N)=O ZINC000300368080 384365935 /nfs/dbraw/zinc/36/59/35/384365935.db2.gz ORQNRLCNVHJPHK-GUBZILKMSA-N 0 3 212.293 0.407 20 0 BCADHN Cn1cncc1CN[C@]1(CCO)CCOC1 ZINC000330364460 384367140 /nfs/dbraw/zinc/36/71/40/384367140.db2.gz OWHILVKYOUXYRB-LLVKDONJSA-N 0 3 225.292 0.051 20 0 BCADHN Cn1cc(CN[C@H]2CCC[C@@H]2CCO)nn1 ZINC000330364629 384369139 /nfs/dbraw/zinc/36/91/39/384369139.db2.gz SZKRCMAGRHXGBB-KOLCDFICSA-N 0 3 224.308 0.456 20 0 BCADHN CCS[C@H]1CCC[C@@H]1NCC(=O)NC ZINC000300395216 384370102 /nfs/dbraw/zinc/37/01/02/384370102.db2.gz YZFALDWAEAWQEP-IUCAKERBSA-N 0 3 216.350 0.996 20 0 BCADHN C[C@H]1C[C@@H](NCC(=O)NC2CCCC2)CO1 ZINC000401989258 384371557 /nfs/dbraw/zinc/37/15/57/384371557.db2.gz CLOFAZKZPNCBCD-GXSJLCMTSA-N 0 3 226.320 0.812 20 0 BCADHN CCc1cc(C(=O)NCCN(C)C)[nH]n1 ZINC000120027330 384325886 /nfs/dbraw/zinc/32/58/86/384325886.db2.gz WNZFUPKAWRHYQZ-UHFFFAOYSA-N 0 3 210.281 0.264 20 0 BCADHN Cc1cccc(CCN2CC[C@@H](O)C2)n1 ZINC000335561333 384327068 /nfs/dbraw/zinc/32/70/68/384327068.db2.gz LYPHTZZNOQFCIY-GFCCVEGCSA-N 0 3 206.289 0.999 20 0 BCADHN COC(=O)[C@H]1CCN(Cc2ccnc(N)c2)C1 ZINC000095022232 384328258 /nfs/dbraw/zinc/32/82/58/384328258.db2.gz BYGMMPINBZTJCZ-JTQLQIEISA-N 0 3 235.287 0.659 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1CO[C@H](C)C1 ZINC000401955181 384331076 /nfs/dbraw/zinc/33/10/76/384331076.db2.gz YJOLFWMEZFDEKK-VGMNWLOBSA-N 0 3 200.282 0.278 20 0 BCADHN C[C@]1(NCc2cnc3cnccn23)CCOC1 ZINC000120143890 384331165 /nfs/dbraw/zinc/33/11/65/384331165.db2.gz XYWZQVJCARCBPJ-LBPRGKRZSA-N 0 3 232.287 0.998 20 0 BCADHN C[C@@]1(NCc2cnc3cnccn23)CCOC1 ZINC000120144009 384331232 /nfs/dbraw/zinc/33/12/32/384331232.db2.gz XYWZQVJCARCBPJ-GFCCVEGCSA-N 0 3 232.287 0.998 20 0 BCADHN CC[C@@H](C)N(CCO)CC(=O)NC(C)C ZINC000308832384 384333978 /nfs/dbraw/zinc/33/39/78/384333978.db2.gz UUBDGRNJGMCOQA-SNVBAGLBSA-N 0 3 216.325 0.604 20 0 BCADHN CC(C)c1cc(C(=O)NCCN(C)C)[nH]n1 ZINC000120988489 384392236 /nfs/dbraw/zinc/39/22/36/384392236.db2.gz BKWTYLGLNYQBJY-UHFFFAOYSA-N 0 3 224.308 0.825 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@H](c1ccco1)N(C)C ZINC000121012646 384392446 /nfs/dbraw/zinc/39/24/46/384392446.db2.gz AYGDODZMICAQGS-VHSXEESVSA-N 0 3 239.319 0.736 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)CCO)N(C)C ZINC000121049582 384394749 /nfs/dbraw/zinc/39/47/49/384394749.db2.gz GCXWYXFWAXCFAX-BDAKNGLRSA-N 0 3 202.298 0.214 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@@]1(O)CCOC1 ZINC000229640372 384396216 /nfs/dbraw/zinc/39/62/16/384396216.db2.gz BZQWPEGGRZNHKA-NSHDSACASA-N 0 3 225.292 0.268 20 0 BCADHN C[C@@H](NCCCc1ncn(C)n1)c1ccnn1C ZINC000647326539 384398264 /nfs/dbraw/zinc/39/82/64/384398264.db2.gz HDYBFMRDCNVOKA-SNVBAGLBSA-N 0 3 248.334 0.832 20 0 BCADHN C[C@@H](NCC(=O)NC1CC1)[C@@H]1CCCO1 ZINC000035247577 384406701 /nfs/dbraw/zinc/40/67/01/384406701.db2.gz ZKRFFDDGJARWBL-SCZZXKLOSA-N 0 3 212.293 0.422 20 0 BCADHN CCN(CC)CC(=O)NCc1noc(C)n1 ZINC000135007825 384408278 /nfs/dbraw/zinc/40/82/78/384408278.db2.gz QOYJPEIDMRZNFD-UHFFFAOYSA-N 0 3 226.280 0.336 20 0 BCADHN C[C@@H](NCCCc1ncn(C)n1)c1nccn1C ZINC000647327118 384408994 /nfs/dbraw/zinc/40/89/94/384408994.db2.gz TYMVQTJNGUOKSR-SNVBAGLBSA-N 0 3 248.334 0.832 20 0 BCADHN NC(=O)[C@@H]1CCCN(c2ccncc2)C1 ZINC000095934255 384413248 /nfs/dbraw/zinc/41/32/48/384413248.db2.gz MQKBBMCKJIUBTF-SECBINFHSA-N 0 3 205.261 0.783 20 0 BCADHN Cc1noc([C@@H]2CCN(CCCO)C2)n1 ZINC000408047417 384426817 /nfs/dbraw/zinc/42/68/17/384426817.db2.gz PTYIWDMOOVTGSC-SECBINFHSA-N 0 3 211.265 0.550 20 0 BCADHN O[C@@H](CN[C@@H]1CCOC1)COc1ccccc1 ZINC000095015518 384419362 /nfs/dbraw/zinc/41/93/62/384419362.db2.gz OYWJEVYLCXWGAL-NEPJUHHUSA-N 0 3 237.299 0.805 20 0 BCADHN CCOC(=O)CCN1CCN(C)C(C)(C)C1 ZINC000082484095 384424194 /nfs/dbraw/zinc/42/41/94/384424194.db2.gz CQDKTKVNZJYVQE-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN COC[C@@H](O)CNCc1cccc(N(C)C)n1 ZINC000568077987 384375150 /nfs/dbraw/zinc/37/51/50/384375150.db2.gz ADTQSOQZPQQCAG-NSHDSACASA-N 0 3 239.319 0.245 20 0 BCADHN CN1C(=O)CC[C@@H](NCC2=CCCOC2)C1=O ZINC000333054725 384375499 /nfs/dbraw/zinc/37/54/99/384375499.db2.gz ADZVOPISCKZYGX-SNVBAGLBSA-N 0 3 238.287 0.070 20 0 BCADHN CC(C)[C@](C)(NCCn1cncn1)C(N)=O ZINC000330364365 384376208 /nfs/dbraw/zinc/37/62/08/384376208.db2.gz LLCYDGCVCIIEPI-JTQLQIEISA-N 0 3 225.296 0.818 20 0 BCADHN [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ncccc2[O-])O1 ZINC000134758786 384386132 /nfs/dbraw/zinc/38/61/32/384386132.db2.gz FSLCGDGGCXNIGK-APPZFPTMSA-N 0 3 237.259 0.232 20 0 BCADHN C[C@@H]1OCC[C@]1(C)NCC(=O)N1CCC1 ZINC000335607822 384387862 /nfs/dbraw/zinc/38/78/62/384387862.db2.gz IYFQZJPCLZCAHI-ONGXEEELSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)C1CCC1)[C@@H]1CCCO1 ZINC000331552699 384388678 /nfs/dbraw/zinc/38/86/78/384388678.db2.gz HZLWYKFQAHFHEB-LSJOCFKGSA-N 0 3 226.320 0.798 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000370543703 384390288 /nfs/dbraw/zinc/39/02/88/384390288.db2.gz KKGBMXAYFQXKQK-UTINFBMNSA-N 0 3 226.320 0.653 20 0 BCADHN COCC[C@H](CO)[NH2+]Cc1nc(C)ccc1[O-] ZINC000305949869 384445055 /nfs/dbraw/zinc/44/50/55/384445055.db2.gz UIIKPMBNOQOISK-SNVBAGLBSA-N 0 3 240.303 0.583 20 0 BCADHN C[C@H](CNCC(C)(C)CO)S(C)(=O)=O ZINC000647516164 384457598 /nfs/dbraw/zinc/45/75/98/384457598.db2.gz RPRWYBLWPKKEFF-MRVPVSSYSA-N 0 3 223.338 0.028 20 0 BCADHN CN1CC[C@@H]2OCCN(c3cccnn3)[C@@H]2C1 ZINC000556678094 384449311 /nfs/dbraw/zinc/44/93/11/384449311.db2.gz UVUFXMWMFLXHMU-MNOVXSKESA-N 0 3 234.303 0.386 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H](C)CSC ZINC000157741085 384450418 /nfs/dbraw/zinc/45/04/18/384450418.db2.gz KTZAZOALEAUWJB-HTQZYQBOSA-N 0 3 204.339 0.982 20 0 BCADHN Cn1nc2c(cc1=O)CN(C[C@H]1CCCO1)CC2 ZINC000078620125 384450743 /nfs/dbraw/zinc/45/07/43/384450743.db2.gz NQGZQLUTBYJZHO-LLVKDONJSA-N 0 3 249.314 0.317 20 0 BCADHN C[C@H]1C[C@@H]1N1CCN(C(N)=O)C[C@@H](C)C1 ZINC000427178579 384455797 /nfs/dbraw/zinc/45/57/97/384455797.db2.gz MLSLFMYDMSJUFN-GUBZILKMSA-N 0 3 211.309 0.727 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)N(CC)CCCO ZINC000160730201 384430491 /nfs/dbraw/zinc/43/04/91/384430491.db2.gz DIDJSZLWYNXIHK-GHMZBOCLSA-N 0 3 230.352 0.994 20 0 BCADHN Cc1nc(C)n(C[C@H]2CCCCN2CCO)n1 ZINC000363488820 384433969 /nfs/dbraw/zinc/43/39/69/384433969.db2.gz MFKLKPCYXCEXFT-GFCCVEGCSA-N 0 3 238.335 0.742 20 0 BCADHN C[C@@H]1C[C@@H]1N1CCN(C(N)=O)C[C@@H](C)C1 ZINC000427178578 384457179 /nfs/dbraw/zinc/45/71/79/384457179.db2.gz MLSLFMYDMSJUFN-AEJSXWLSSA-N 0 3 211.309 0.727 20 0 BCADHN CCN(CCO)CCNC(=O)CC(C)(C)OC ZINC000427186717 384458024 /nfs/dbraw/zinc/45/80/24/384458024.db2.gz TYZQSEFJMKMDBQ-UHFFFAOYSA-N 0 3 246.351 0.232 20 0 BCADHN CN(CC1(O)CCCCCC1)[C@@H]1COC[C@H]1O ZINC000361377063 384438931 /nfs/dbraw/zinc/43/89/31/384438931.db2.gz HRQACEDIFJKSHS-VXGBXAGGSA-N 0 3 243.347 0.763 20 0 BCADHN O=C(NCCNc1ccncc1)[C@H]1CCCCO1 ZINC000533818266 384439831 /nfs/dbraw/zinc/43/98/31/384439831.db2.gz ZHJTVVRHEJIWMF-GFCCVEGCSA-N 0 3 249.314 0.601 20 0 BCADHN COC[C@H](C)N1CCN(C2CCOCC2)CC1 ZINC000175470043 384440428 /nfs/dbraw/zinc/44/04/28/384440428.db2.gz JTZNWDDMRSDDDT-LBPRGKRZSA-N 0 3 242.363 0.818 20 0 BCADHN COC[C@@H](C)N1CCN(C2CCOCC2)CC1 ZINC000175470065 384440752 /nfs/dbraw/zinc/44/07/52/384440752.db2.gz JTZNWDDMRSDDDT-GFCCVEGCSA-N 0 3 242.363 0.818 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCCCn1cccn1 ZINC000135420230 384442541 /nfs/dbraw/zinc/44/25/41/384442541.db2.gz HLJHSTYUQBRLHP-MNOVXSKESA-N 0 3 238.335 0.763 20 0 BCADHN C[C@@H](O)CN[C@H](C)[C@H](O)C(F)(F)F ZINC000647514979 384443299 /nfs/dbraw/zinc/44/32/99/384443299.db2.gz KKWFSFQKIBXOIF-PBXRRBTRSA-N 0 3 201.188 0.269 20 0 BCADHN CCC(C)(C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000556711039 384459775 /nfs/dbraw/zinc/45/97/75/384459775.db2.gz FKHBXEGMGYTOQT-LLVKDONJSA-N 0 3 239.363 0.681 20 0 BCADHN CCCCNC(=O)CN(CC)CC(C)(C)O ZINC000078738125 384460098 /nfs/dbraw/zinc/46/00/98/384460098.db2.gz ZISNGXJDKYXNRN-UHFFFAOYSA-N 0 3 230.352 0.996 20 0 BCADHN C[C@@](O)(CN1CC[C@@H](O)C1)c1ccccc1 ZINC000078747008 384460376 /nfs/dbraw/zinc/46/03/76/384460376.db2.gz ZMDIPJXYEDSQKR-CHWSQXEVSA-N 0 3 221.300 0.961 20 0 BCADHN CC[C@H](N)C(=O)NCCCOCC1CC1 ZINC000036871699 384462066 /nfs/dbraw/zinc/46/20/66/384462066.db2.gz RLTKEYBQMCEAGD-JTQLQIEISA-N 0 3 214.309 0.657 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H]1CCCc2c1cnn2C ZINC000135712134 384462050 /nfs/dbraw/zinc/46/20/50/384462050.db2.gz WPNZWPDXHGFJHR-WCBMZHEXSA-N 0 3 236.319 0.651 20 0 BCADHN COc1cccc(CC(=O)NCCN(C)C)c1 ZINC000047653264 384462053 /nfs/dbraw/zinc/46/20/53/384462053.db2.gz FOHKWUAYQOMMRZ-UHFFFAOYSA-N 0 3 236.315 0.916 20 0 BCADHN c1cn(CCCNCc2cc[nH]n2)cn1 ZINC000036900296 384462760 /nfs/dbraw/zinc/46/27/60/384462760.db2.gz ZQEWZSIIDVXZLJ-UHFFFAOYSA-N 0 3 205.265 0.786 20 0 BCADHN CC[C@H](N)C(=O)N(C)Cc1ccncc1 ZINC000036871781 384462934 /nfs/dbraw/zinc/46/29/34/384462934.db2.gz UCCCELWTTKZIJB-JTQLQIEISA-N 0 3 207.277 0.777 20 0 BCADHN COc1nn(C)cc1NC(=O)[C@H]1CCN(C)C1 ZINC000556726015 384464708 /nfs/dbraw/zinc/46/47/08/384464708.db2.gz LXQXUVZOBXAUTE-QMMMGPOBSA-N 0 3 238.291 0.319 20 0 BCADHN O=c1[n-]c(=O)n(CC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000335660951 384464941 /nfs/dbraw/zinc/46/49/41/384464941.db2.gz LLZGDYAZTFZAIB-ZETCQYMHSA-N 0 3 243.694 0.602 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)N1CCOCC1 ZINC000335662196 384466737 /nfs/dbraw/zinc/46/67/37/384466737.db2.gz GHPJRHMTSGUJDU-VHSXEESVSA-N 0 3 227.308 0.121 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCOC(C)(C)C1 ZINC000335662472 384469702 /nfs/dbraw/zinc/46/97/02/384469702.db2.gz JLMSRDPNWCNYHW-SECBINFHSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)NC1CCC1 ZINC000335662821 384472526 /nfs/dbraw/zinc/47/25/26/384472526.db2.gz MACDBXXGSGWDOZ-DTWKUNHWSA-N 0 3 211.309 0.931 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCCO[C@H](C)C1 ZINC000335662974 384473923 /nfs/dbraw/zinc/47/39/23/384473923.db2.gz NCNQUNXZPPECII-ZJUUUORDSA-N 0 3 226.320 0.764 20 0 BCADHN OCCN1CCN(CCC[C@H]2CCOC2)CC1 ZINC000400565671 384482635 /nfs/dbraw/zinc/48/26/35/384482635.db2.gz NXLFWFBWBNJQLK-ZDUSSCGKSA-N 0 3 242.363 0.413 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cncn2C)[C@H]1C ZINC000335664180 384482734 /nfs/dbraw/zinc/48/27/34/384482734.db2.gz WPOXQGSIMBXEGU-BDAKNGLRSA-N 0 3 222.292 0.243 20 0 BCADHN COCCOCCN(C)[C@@H](C)COC ZINC000175584958 384458990 /nfs/dbraw/zinc/45/89/90/384458990.db2.gz VYQLTRHSSLGVIZ-JTQLQIEISA-N 0 3 205.298 0.616 20 0 BCADHN CC[C@H](F)CN1C[C@@H](CO)[C@H](CO)C1 ZINC000528600134 384495094 /nfs/dbraw/zinc/49/50/94/384495094.db2.gz YBROOIDEYDFJFI-GUBZILKMSA-N 0 3 205.273 0.267 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC[C@H](O)CC1 ZINC000335759402 384497007 /nfs/dbraw/zinc/49/70/07/384497007.db2.gz ALHARVRBZFXKFG-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCC[C@@]2(C)CO)C1 ZINC000568206014 384499221 /nfs/dbraw/zinc/49/92/21/384499221.db2.gz AIJGHEJGMAWSJY-AAEUAGOBSA-N 0 3 240.347 0.702 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)c1csnn1 ZINC000648146839 384494814 /nfs/dbraw/zinc/49/48/14/384494814.db2.gz FKMVKUVVPQNYQL-ZCFIWIBFSA-N 0 3 248.258 0.265 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC[C@@H](CO)CC1 ZINC000336119830 384534119 /nfs/dbraw/zinc/53/41/19/384534119.db2.gz SXSIDQHSIOHUHT-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000643844978 384535879 /nfs/dbraw/zinc/53/58/79/384535879.db2.gz UNHRZXPREVSYCN-PDEGPIFNSA-N 0 3 248.330 0.329 20 0 BCADHN COc1ncncc1CN[C@H](C)C(C)(C)O ZINC000647178126 384513692 /nfs/dbraw/zinc/51/36/92/384513692.db2.gz BCZQORKAJCYGNF-MRVPVSSYSA-N 0 3 225.292 0.734 20 0 BCADHN C[C@@H](O)[C@H]1CCN(Cc2ccnc(N)c2)C1 ZINC000161700494 384516379 /nfs/dbraw/zinc/51/63/79/384516379.db2.gz ULZVPSWVSCAIOV-KOLCDFICSA-N 0 3 221.304 0.867 20 0 BCADHN CN(C[C@H](O)C1CCCCC1)[C@@H]1COC[C@H]1O ZINC000556834891 384517021 /nfs/dbraw/zinc/51/70/21/384517021.db2.gz ZOXXEYQIMGCZHG-FRRDWIJNSA-N 0 3 243.347 0.619 20 0 BCADHN COC[C@H](N[C@@H]1COC[C@H]1OC)C1CC1 ZINC000647335284 384517805 /nfs/dbraw/zinc/51/78/05/384517805.db2.gz VWYRRLARHZNNKL-HBNTYKKESA-N 0 3 215.293 0.415 20 0 BCADHN CC1(CNCc2ccc(CO)o2)COC1 ZINC000085444956 384523810 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234.307 0.914 20 0 BCADHN CC[C@@H](COC)NCC1(S(C)(=O)=O)CCC1 ZINC000309724286 384565183 /nfs/dbraw/zinc/56/51/83/384565183.db2.gz XGWAFKFSUBILHV-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN Cc1n[nH]cc1CCCNC(=O)[C@H](N)C(C)C ZINC000050183089 384606426 /nfs/dbraw/zinc/60/64/26/384606426.db2.gz BXIOLJRNSDFREZ-LLVKDONJSA-N 0 3 238.335 0.750 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@@H](C)N)c1ccccc1 ZINC000050512353 384632739 /nfs/dbraw/zinc/63/27/39/384632739.db2.gz JTZMMAGHJSNYNZ-SCZZXKLOSA-N 0 3 236.271 0.364 20 0 BCADHN COC(=O)c1cc(CNC(=O)[C@@H](C)N)oc1C ZINC000154352376 384611820 /nfs/dbraw/zinc/61/18/20/384611820.db2.gz GXRFGLKYQGNDSV-ZCFIWIBFSA-N 0 3 240.259 0.338 20 0 BCADHN C[C@H](NCc1cn(C)nn1)[C@H]1CCCOC1 ZINC000309799265 384619835 /nfs/dbraw/zinc/61/98/35/384619835.db2.gz QUVLQQZGNXVMAF-UWVGGRQHSA-N 0 3 224.308 0.720 20 0 BCADHN C[C@H](CO)[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC000561286834 384622246 /nfs/dbraw/zinc/62/22/46/384622246.db2.gz NEQPQNPBHBASQA-MXWKQRLJSA-N 0 3 228.336 0.461 20 0 BCADHN CC[C@@H](C)NC(=O)CN[C@](C)(CCO)COC ZINC000176372663 384622731 /nfs/dbraw/zinc/62/27/31/384622731.db2.gz UUHZYEPLHZJDRH-ZYHUDNBSSA-N 0 3 246.351 0.278 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000556896314 384623973 /nfs/dbraw/zinc/62/39/73/384623973.db2.gz AXHULVJPTVILMK-MVWJERBFSA-N 0 3 240.347 0.602 20 0 BCADHN CN(CCC1OCCO1)CCn1cccn1 ZINC000124268343 384625864 /nfs/dbraw/zinc/62/58/64/384625864.db2.gz QXUXLVAGCWJMLA-UHFFFAOYSA-N 0 3 225.292 0.578 20 0 BCADHN CC(C)(O)CCN[C@H]1CCCS(=O)(=O)C1 ZINC000086236008 384627625 /nfs/dbraw/zinc/62/76/25/384627625.db2.gz ACWXRLCVVWSPKT-VIFPVBQESA-N 0 3 235.349 0.314 20 0 BCADHN CCN(CC(=O)OC)C(=O)CN1CC[C@H](C)C1 ZINC000517960654 384593234 /nfs/dbraw/zinc/59/32/34/384593234.db2.gz QWXDWYZLOLMVRU-JTQLQIEISA-N 0 3 242.319 0.350 20 0 BCADHN Cc1nc(CNC(=O)[C@@H](C(C)C)N(C)C)no1 ZINC000124322759 384632093 /nfs/dbraw/zinc/63/20/93/384632093.db2.gz SJHZNSXIWWGBKF-SNVBAGLBSA-N 0 3 240.307 0.580 20 0 BCADHN CCO[C@@H]1C[C@@H](N(C)C(=O)CNC)C1(C)C ZINC000236847815 384597234 /nfs/dbraw/zinc/59/72/34/384597234.db2.gz TWXHHQFDSRVNDY-NXEZZACHSA-N 0 3 228.336 0.868 20 0 BCADHN COc1ncncc1CN[C@@H]1CCCC[C@H]1O ZINC000647183067 384598360 /nfs/dbraw/zinc/59/83/60/384598360.db2.gz HAPFINNQQRWMIJ-GHMZBOCLSA-N 0 3 237.303 0.878 20 0 BCADHN Cn1cccc1CN[C@@H]1CCCCNC1=O ZINC000050595354 384634075 /nfs/dbraw/zinc/63/40/75/384634075.db2.gz JFZBYKGZTZGLJS-LLVKDONJSA-N 0 3 221.304 0.783 20 0 BCADHN C[C@H](CN[C@H]1CCC[C@@]1(C)CO)S(C)(=O)=O ZINC000647528820 384601082 /nfs/dbraw/zinc/60/10/82/384601082.db2.gz IOSIEOGAZRFZJG-VWYCJHECSA-N 0 3 249.376 0.560 20 0 BCADHN CO[C@H](C)CNC(=O)[C@H]1CNCCC1(F)F ZINC000648154680 384601646 /nfs/dbraw/zinc/60/16/46/384601646.db2.gz WDJVYYYRBVFUGV-HTQZYQBOSA-N 0 3 236.262 0.382 20 0 BCADHN Cc1n[nH]cc1CN[C@@H](CO)[C@H]1CCCO1 ZINC000309844519 384663523 /nfs/dbraw/zinc/66/35/23/384663523.db2.gz FWRWXEQQLVUILE-WDEREUQCSA-N 0 3 225.292 0.348 20 0 BCADHN Cn1cnc(CCCNCC2(F)CC2)n1 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/nfs/dbraw/zinc/64/66/06/384646606.db2.gz KCHFEWIATNCPHK-ZETCQYMHSA-N 0 3 236.275 0.586 20 0 BCADHN CNc1ccc(C(=O)NC[C@@H](C)N(C)C)cn1 ZINC000050779912 384647341 /nfs/dbraw/zinc/64/73/41/384647341.db2.gz YGSQPRCKIGHWTF-SECBINFHSA-N 0 3 236.319 0.803 20 0 BCADHN CO[C@@H](C)C(=O)NCC1=CCN(C)CC1 ZINC000271870982 384649222 /nfs/dbraw/zinc/64/92/22/384649222.db2.gz LNAIMYAVZBOJRF-VIFPVBQESA-N 0 3 212.293 0.399 20 0 BCADHN C[C@H](NC(=O)CN)c1nc2ccccc2[nH]1 ZINC000082254597 384652826 /nfs/dbraw/zinc/65/28/26/384652826.db2.gz HGFJZVLQQIQDJP-ZETCQYMHSA-N 0 3 218.260 0.699 20 0 BCADHN CN(C)c1cccc(CNC(=O)CN)c1 ZINC000082275025 384655635 /nfs/dbraw/zinc/65/56/35/384655635.db2.gz OAYYRYIOGVYEBT-UHFFFAOYSA-N 0 3 207.277 0.328 20 0 BCADHN CN(C)CCNC(=O)c1ccc2c(c1)nnn2C ZINC000082272810 384657213 /nfs/dbraw/zinc/65/72/13/384657213.db2.gz RYSBUNRPLVTMTA-UHFFFAOYSA-N 0 3 247.302 0.260 20 0 BCADHN Cc1nc(C(=O)N(C)C2CCN(C)CC2)c[nH]1 ZINC000082268210 384657351 /nfs/dbraw/zinc/65/73/51/384657351.db2.gz SOVMAJLQPHUOCT-UHFFFAOYSA-N 0 3 236.319 0.884 20 0 BCADHN CC(C)C(=O)NCCNCC1=CCCOC1 ZINC000124629271 384658687 /nfs/dbraw/zinc/65/86/87/384658687.db2.gz NHNKWSFNGIPIAI-UHFFFAOYSA-N 0 3 226.320 0.695 20 0 BCADHN COCCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000176485913 384659168 /nfs/dbraw/zinc/65/91/68/384659168.db2.gz ZPNFFMXPVFQNFL-ZJUUUORDSA-N 0 3 241.335 0.557 20 0 BCADHN CNS(=O)(=O)CCCN1CCCC[C@H]1C ZINC000104095283 384660158 /nfs/dbraw/zinc/66/01/58/384660158.db2.gz DILVNRDTOXVXJC-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN C[C@@H](CO)CNCc1cc(C(N)=O)cs1 ZINC000086573770 384661603 /nfs/dbraw/zinc/66/16/03/384661603.db2.gz NUADTLDHNMUQMM-SSDOTTSWSA-N 0 3 228.317 0.565 20 0 BCADHN Cc1nn(C)cc1CNCCCc1ncn(C)n1 ZINC000647231236 384661929 /nfs/dbraw/zinc/66/19/29/384661929.db2.gz OAGUSYZNUIXUMB-UHFFFAOYSA-N 0 3 248.334 0.579 20 0 BCADHN CC[C@](C)(O)CNCc1cnn(C)c1C ZINC000086552154 384662766 /nfs/dbraw/zinc/66/27/66/384662766.db2.gz HNRRKBNUSGUYAB-NSHDSACASA-N 0 3 211.309 0.979 20 0 BCADHN CCS(=O)(=O)CCCN[C@H]1CO[C@H](C)C1 ZINC000402366287 384725547 /nfs/dbraw/zinc/72/55/47/384725547.db2.gz WZRSYVDXVBRXMZ-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN COC(=O)N1CC(N[C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000497175349 384679166 /nfs/dbraw/zinc/67/91/66/384679166.db2.gz DADDCNXFLXMEEC-NQMVMOMDSA-N 0 3 228.292 0.593 20 0 BCADHN COC(=O)C1CCN(CCn2cccn2)CC1 ZINC000049572750 384683075 /nfs/dbraw/zinc/68/30/75/384683075.db2.gz KHMPYWJNHORJHP-UHFFFAOYSA-N 0 3 237.303 0.768 20 0 BCADHN CO[C@@H]1CCC[C@H]1NCC(=O)NCC(C)C ZINC000050373750 384693742 /nfs/dbraw/zinc/69/37/42/384693742.db2.gz USHUZWJKDIBIKR-GHMZBOCLSA-N 0 3 228.336 0.916 20 0 BCADHN CSCC[C@H](N[C@H]1CCOC1)C(=O)N(C)C ZINC000309893887 384694683 /nfs/dbraw/zinc/69/46/83/384694683.db2.gz DYGYTYGWDYHCGO-UWVGGRQHSA-N 0 3 246.376 0.575 20 0 BCADHN CO[C@H]1CCCN([C@H](C)C(=O)N(C)C)CC1 ZINC000363690863 384697283 /nfs/dbraw/zinc/69/72/83/384697283.db2.gz OGYKKBYEOSHIOX-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CSCC[C@@H](N)C(=O)NC[C@H](C)SC ZINC000157944875 384699359 /nfs/dbraw/zinc/69/93/59/384699359.db2.gz SNILOKZVUDDMDF-JGVFFNPUSA-N 0 3 236.406 0.935 20 0 BCADHN Cc1ccc(OCCNC(=O)[C@H](C)N)cc1 ZINC000041240546 384705681 /nfs/dbraw/zinc/70/56/81/384705681.db2.gz AZEULFPKAFTFIF-JTQLQIEISA-N 0 3 222.288 0.837 20 0 BCADHN COc1c(CN[C@@H](C)CCO)c(C)nn1C ZINC000125262687 384706494 /nfs/dbraw/zinc/70/64/94/384706494.db2.gz XLVPQSXKDMPKRA-QMMMGPOBSA-N 0 3 227.308 0.598 20 0 BCADHN CC(C)C(NC(=O)C(=O)N(C)CCN)C(C)C ZINC000642788339 384707278 /nfs/dbraw/zinc/70/72/78/384707278.db2.gz JTHAEJVPULQWOH-UHFFFAOYSA-N 0 3 243.351 0.200 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@@H](CO)C1CC1 ZINC000309904339 384711029 /nfs/dbraw/zinc/71/10/29/384711029.db2.gz JKZGVPDHBWRLCG-ONGXEEELSA-N 0 3 249.376 0.418 20 0 BCADHN COCCCn1cc([C@H](N)C(C)C)nn1 ZINC000300930756 384718617 /nfs/dbraw/zinc/71/86/17/384718617.db2.gz NTQMLASPZHCMJA-SNVBAGLBSA-N 0 3 212.297 0.970 20 0 BCADHN CCN(CC)C(=O)CN[C@](C)(CO)C(C)C ZINC000309922040 384718752 /nfs/dbraw/zinc/71/87/52/384718752.db2.gz SPYXNJUGHZTRMT-GFCCVEGCSA-N 0 3 230.352 0.851 20 0 BCADHN COCC[C@H](CO)NCc1cncs1 ZINC000300931764 384718969 /nfs/dbraw/zinc/71/89/69/384718969.db2.gz VCBCUGXRXQHRTB-MRVPVSSYSA-N 0 3 216.306 0.630 20 0 BCADHN Cc1c[nH]nc1CNCCCn1ccnn1 ZINC000309916967 384722842 /nfs/dbraw/zinc/72/28/42/384722842.db2.gz PWTOYZCSZRXFCR-UHFFFAOYSA-N 0 3 220.280 0.490 20 0 BCADHN CCCNC(=S)N[C@@H]1CCCN(C)C1 ZINC000136149724 384777346 /nfs/dbraw/zinc/77/73/46/384777346.db2.gz PQTNVTIXIZULQT-SECBINFHSA-N 0 3 215.366 0.955 20 0 BCADHN C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CCNC1 ZINC000310003256 384778356 /nfs/dbraw/zinc/77/83/56/384778356.db2.gz FOVIUKKLDLXEJQ-KCJUWKMLSA-N 0 3 214.284 0.945 20 0 BCADHN CSCC[C@H]([NH3+])C(=O)Nc1ncccc1[O-] ZINC000125563176 384730953 /nfs/dbraw/zinc/73/09/53/384730953.db2.gz FVGBSHCCJZPFPC-ZETCQYMHSA-N 0 3 241.316 0.806 20 0 BCADHN CCS(=O)(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000307072865 384734651 /nfs/dbraw/zinc/73/46/51/384734651.db2.gz ZEHXOCCWWURIKV-RKDXNWHRSA-N 0 3 220.338 0.361 20 0 BCADHN CCC[C@@H](C)CN1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408152150 384738942 /nfs/dbraw/zinc/73/89/42/384738942.db2.gz WLKKBIMIJIJRQB-NXEZZACHSA-N 0 3 239.319 0.659 20 0 BCADHN Cc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)no1 ZINC000083118301 384740516 /nfs/dbraw/zinc/74/05/16/384740516.db2.gz IGWOOHYXUTYWRT-YUMQZZPRSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1cn[nH]c1CN[C@]1(CCO)CCOC1 ZINC000289563752 384740500 /nfs/dbraw/zinc/74/05/00/384740500.db2.gz RHCJUJHCJCOOCY-LLVKDONJSA-N 0 3 225.292 0.349 20 0 BCADHN COC[C@](C)(CCO)NCc1cn(C)nc1C ZINC000163104148 384742035 /nfs/dbraw/zinc/74/20/35/384742035.db2.gz FIPJQVVOGXZTTE-LBPRGKRZSA-N 0 3 241.335 0.606 20 0 BCADHN CC(C)N1CCCN(Cc2nncn2C)CC1 ZINC000536362128 384743716 /nfs/dbraw/zinc/74/37/16/384743716.db2.gz CDSDQTKSCQHSSQ-UHFFFAOYSA-N 0 3 237.351 0.731 20 0 BCADHN COC[C@H](O)CN[C@H](CO)c1sccc1C ZINC000309965612 384744496 /nfs/dbraw/zinc/74/44/96/384744496.db2.gz NGMRNDNCVOVQFZ-NXEZZACHSA-N 0 3 245.344 0.687 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000335474418 384744548 /nfs/dbraw/zinc/74/45/48/384744548.db2.gz FJTLZVGOYZSLPU-UWVGGRQHSA-N 0 3 212.293 0.361 20 0 BCADHN COC[C@@H](O)CN[C@@H](CO)c1sccc1C ZINC000309965614 384745566 /nfs/dbraw/zinc/74/55/66/384745566.db2.gz NGMRNDNCVOVQFZ-UWVGGRQHSA-N 0 3 245.344 0.687 20 0 BCADHN Cc1cc(CC(=O)NC[C@H]2CCCN2C)no1 ZINC000531052805 384745611 /nfs/dbraw/zinc/74/56/11/384745611.db2.gz IMYSXXOMPZFRFW-LLVKDONJSA-N 0 3 237.303 0.736 20 0 BCADHN CC[C@H](CO)N[C@H](C)CS(=O)(=O)CC ZINC000126248866 384748818 /nfs/dbraw/zinc/74/88/18/384748818.db2.gz NVNCHIAIFHKHPQ-RKDXNWHRSA-N 0 3 223.338 0.170 20 0 BCADHN CSC[C@@H](O)CN(C)[C@H]1CCOC1 ZINC000336664542 384748930 /nfs/dbraw/zinc/74/89/30/384748930.db2.gz XEMUYFUTRPTXGE-IUCAKERBSA-N 0 3 205.323 0.431 20 0 BCADHN CC[C@H](CO)N[C@@H](C)CS(=O)(=O)CC ZINC000126248633 384749466 /nfs/dbraw/zinc/74/94/66/384749466.db2.gz NVNCHIAIFHKHPQ-DTWKUNHWSA-N 0 3 223.338 0.170 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000309968334 384749600 /nfs/dbraw/zinc/74/96/00/384749600.db2.gz OIDRPJMMRSTTAQ-OPRDCNLKSA-N 0 3 249.376 0.965 20 0 BCADHN CC[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@@H]1O ZINC000536370830 384749871 /nfs/dbraw/zinc/74/98/71/384749871.db2.gz SNJLBCWPDTWRDB-UPJWGTAASA-N 0 3 243.347 0.885 20 0 BCADHN CN(CCN1CCCC1)C(=O)[C@@H]1CCCOC1 ZINC000103116091 384750048 /nfs/dbraw/zinc/75/00/48/384750048.db2.gz BOIYMVOQQDGZAO-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@@]1(C)CCCO1 ZINC000087234288 384752691 /nfs/dbraw/zinc/75/26/91/384752691.db2.gz SHTCGRJCQJLBCJ-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@@](N)(C(=O)N1CCCNCC1)c1ccccc1 ZINC000052881592 384752856 /nfs/dbraw/zinc/75/28/56/384752856.db2.gz YIHJEZMXJXBMRH-AWEZNQCLSA-N 0 3 247.342 0.682 20 0 BCADHN C[C@H](CNC(=O)[C@@](C)(N)c1ccccc1)N(C)C ZINC000052882402 384752942 /nfs/dbraw/zinc/75/29/42/384752942.db2.gz TVYWURHOODISPO-RISCZKNCSA-N 0 3 249.358 0.927 20 0 BCADHN C[C@](N)(C(=O)N1CCNCC1)c1ccccc1 ZINC000052881571 384753751 /nfs/dbraw/zinc/75/37/51/384753751.db2.gz LXXONHWKJMPFRD-CYBMUJFWSA-N 0 3 233.315 0.292 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H](O)CC1 ZINC000334962735 384760193 /nfs/dbraw/zinc/76/01/93/384760193.db2.gz VEDXYEMUKLUTGT-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN C[C@H](CNC(=O)CN)Oc1ccc(F)cc1 ZINC000083354521 384762370 /nfs/dbraw/zinc/76/23/70/384762370.db2.gz FPVLMDFGEOTZFU-MRVPVSSYSA-N 0 3 226.251 0.668 20 0 BCADHN CC[C@@H](N)C(=O)N1CCOC[C@H]1C1CC1 ZINC000648157518 384765072 /nfs/dbraw/zinc/76/50/72/384765072.db2.gz ILVNJUPMEDWYQO-ZJUUUORDSA-N 0 3 212.293 0.361 20 0 BCADHN CO[C@H](C)C(=O)NCCNc1ccncc1 ZINC000309987129 384767228 /nfs/dbraw/zinc/76/72/28/384767228.db2.gz YUZIEQIEPNPMBV-SECBINFHSA-N 0 3 223.276 0.645 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCNC[C@@](C)(F)C1 ZINC000336211962 384768940 /nfs/dbraw/zinc/76/89/40/384768940.db2.gz AJXVZAUUSYUTIK-GXSJLCMTSA-N 0 3 231.315 0.130 20 0 BCADHN O=C1CC[C@H](NCCF)[C@@H](C2CC2)N1 ZINC000308525053 384780982 /nfs/dbraw/zinc/78/09/82/384780982.db2.gz WTFVZXUOZWQGKY-WCBMZHEXSA-N 0 3 200.257 0.603 20 0 BCADHN COC[C@H](O)CN1C[C@H](C)OC(C)(C)C1 ZINC000126312544 384769814 /nfs/dbraw/zinc/76/98/14/384769814.db2.gz ZGXBCLXJHWWYKB-VHSXEESVSA-N 0 3 217.309 0.493 20 0 BCADHN COC[C@H](O)CN1C[C@@H](C)OC(C)(C)C1 ZINC000126312339 384770500 /nfs/dbraw/zinc/77/05/00/384770500.db2.gz ZGXBCLXJHWWYKB-NXEZZACHSA-N 0 3 217.309 0.493 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CC[C@@H](C)[C@@H]1C ZINC000248325004 384772198 /nfs/dbraw/zinc/77/21/98/384772198.db2.gz AZHUEFDAGUAYJP-CSMHCCOUSA-N 0 3 213.281 0.300 20 0 BCADHN CC[C@@H](N)C(=O)NCCc1nc2ccccc2[nH]1 ZINC000083375339 384772818 /nfs/dbraw/zinc/77/28/18/384772818.db2.gz OEFXMKDOHDRFJG-SECBINFHSA-N 0 3 246.314 0.959 20 0 BCADHN CNCC(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000083909104 384815852 /nfs/dbraw/zinc/81/58/52/384815852.db2.gz GREBJJLEFBWIND-UHFFFAOYSA-N 0 3 235.287 0.673 20 0 BCADHN CCN(CCOCCO)C[C@@H]1CCCO1 ZINC000042469950 384816014 /nfs/dbraw/zinc/81/60/14/384816014.db2.gz ULMHEBMCDPIUJX-NSHDSACASA-N 0 3 217.309 0.496 20 0 BCADHN C[C@@H](NCc1cn(C)nn1)[C@@H]1CCCOC1 ZINC000309799263 384838176 /nfs/dbraw/zinc/83/81/76/384838176.db2.gz QUVLQQZGNXVMAF-NXEZZACHSA-N 0 3 224.308 0.720 20 0 BCADHN CS[C@@H](CO)[C@H](C)NCc1cnc(C)nc1 ZINC000336670162 384817003 /nfs/dbraw/zinc/81/70/03/384817003.db2.gz GRCYQCHJNKPCQM-KWQFWETISA-N 0 3 241.360 0.987 20 0 BCADHN CC(C)[C@@H](O)CNCc1ccc(CO)o1 ZINC000126856102 384818767 /nfs/dbraw/zinc/81/87/67/384818767.db2.gz OYWXSUYXIXCNMV-NSHDSACASA-N 0 3 213.277 0.878 20 0 BCADHN NCC(=O)N[C@@H]1CCOc2c(F)cccc21 ZINC000083932062 384819546 /nfs/dbraw/zinc/81/95/46/384819546.db2.gz PNWRARBZKACWCT-SECBINFHSA-N 0 3 224.235 0.724 20 0 BCADHN N[C@H](C(=O)N[C@H]1CCCOCC1)C1CCC1 ZINC000335654582 384820331 /nfs/dbraw/zinc/82/03/31/384820331.db2.gz VJTFYQGSZHPNCP-QWRGUYRKSA-N 0 3 226.320 0.799 20 0 BCADHN CC(C)(N)C(=O)NC[C@]1(C)CCCO1 ZINC000083946133 384821447 /nfs/dbraw/zinc/82/14/47/384821447.db2.gz LOQXUTWUFIXXEP-JTQLQIEISA-N 0 3 200.282 0.409 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@@H](CO)CC(F)F ZINC000308572186 384822241 /nfs/dbraw/zinc/82/22/41/384822241.db2.gz CISIVJGMLWHPQI-RNJXMRFFSA-N 0 3 209.236 0.770 20 0 BCADHN CS[C@H]1CC[C@@H]1NCc1cnnn1C ZINC000336671041 384825041 /nfs/dbraw/zinc/82/50/41/384825041.db2.gz YWPOYLYZUBIWOF-IUCAKERBSA-N 0 3 212.322 0.799 20 0 BCADHN C[C@@H](CC1CCOCC1)NC1(C(N)=O)CC1 ZINC000336754362 384825905 /nfs/dbraw/zinc/82/59/05/384825905.db2.gz WZCAZKOLXSYEHF-VIFPVBQESA-N 0 3 226.320 0.799 20 0 BCADHN COC[C@@H](CO)N[C@H](C)COC(C)C ZINC000308582063 384830707 /nfs/dbraw/zinc/83/07/07/384830707.db2.gz GWUBNFUQAXVVHM-NXEZZACHSA-N 0 3 205.298 0.397 20 0 BCADHN CS[C@@H]1CN(C(=O)C2CC2)C[C@@H]1N(C)C ZINC000335053385 384833777 /nfs/dbraw/zinc/83/37/77/384833777.db2.gz VEJGLUSEIAHYDJ-VHSXEESVSA-N 0 3 228.361 0.900 20 0 BCADHN C[C@H](N)C(=O)N1CC2(C[C@@H]1C)CCOCC2 ZINC000648204023 384834256 /nfs/dbraw/zinc/83/42/56/384834256.db2.gz ORRSYAVBKAKJJY-UWVGGRQHSA-N 0 3 226.320 0.751 20 0 BCADHN Cc1cnccc1CCN1CC[C@H](O)C1 ZINC000335664409 384834603 /nfs/dbraw/zinc/83/46/03/384834603.db2.gz VMUDSTJOCJSMLU-LBPRGKRZSA-N 0 3 206.289 0.999 20 0 BCADHN COCCCN1CCN(CCO)[C@H](C)C1 ZINC000426484287 384835458 /nfs/dbraw/zinc/83/54/58/384835458.db2.gz FYJBRKXBRAUXPW-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN CN(CC(F)F)C(=O)[C@@H](N)CC(F)F ZINC000308524431 384781138 /nfs/dbraw/zinc/78/11/38/384781138.db2.gz ZXJRDFBXJZGJJB-BYPYZUCNSA-N 0 3 216.178 0.692 20 0 BCADHN Cn1cc([C@H](CO)NCCCF)cn1 ZINC000308519174 384781882 /nfs/dbraw/zinc/78/18/82/384781882.db2.gz QFIPYBFRQNEAGD-VIFPVBQESA-N 0 3 201.245 0.403 20 0 BCADHN CS[C@H](CO)[C@H](C)NCc1cn(C)nc1C ZINC000126252397 384782282 /nfs/dbraw/zinc/78/22/82/384782282.db2.gz RULDVAJGXUQNQQ-GXSJLCMTSA-N 0 3 243.376 0.931 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000335041532 384782984 /nfs/dbraw/zinc/78/29/84/384782984.db2.gz PZVTXWPPAGPOJX-WDEREUQCSA-N 0 3 226.320 0.751 20 0 BCADHN CN1CCC[C@H](N2CCC[C@H](CO)CC2)C1=O ZINC000557056170 384783362 /nfs/dbraw/zinc/78/33/62/384783362.db2.gz VAPWURNUTAAULA-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN CCO[C@@H]1C[C@H](NC(=O)C2(N)CC2)C12CCC2 ZINC000236885121 384783799 /nfs/dbraw/zinc/78/37/99/384783799.db2.gz MAYNMEVBGHPTTM-VHSXEESVSA-N 0 3 238.331 0.942 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](C)C(=O)OC ZINC000042317116 384783925 /nfs/dbraw/zinc/78/39/25/384783925.db2.gz GVOVRPXWZRRIBN-GMSGAONNSA-N 0 3 216.281 0.182 20 0 BCADHN COC[C@H](O)CN1CCC[C@H]1c1cnn(C)c1 ZINC000126581235 384784551 /nfs/dbraw/zinc/78/45/51/384784551.db2.gz GRYDANUOICDJSR-NEPJUHHUSA-N 0 3 239.319 0.564 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]1C ZINC000174418368 384788082 /nfs/dbraw/zinc/78/80/82/384788082.db2.gz ICGLZVQOYUWYHL-YUMQZZPRSA-N 0 3 213.281 0.315 20 0 BCADHN Cc1cc(CNCCN2CCOCC2)sn1 ZINC000404434010 384791486 /nfs/dbraw/zinc/79/14/86/384791486.db2.gz PSQQXMDLIDEUKP-UHFFFAOYSA-N 0 3 241.360 0.873 20 0 BCADHN COC[C@@H](N[C@H]1CCCNC1=O)C1CC1 ZINC000087480059 384796537 /nfs/dbraw/zinc/79/65/37/384796537.db2.gz OQIJEVGRABSDOU-VHSXEESVSA-N 0 3 212.293 0.280 20 0 BCADHN CN(CCCS(C)(=O)=O)[C@@H](CN)C1CC1 ZINC000126711780 384798491 /nfs/dbraw/zinc/79/84/91/384798491.db2.gz AFCJMYZJMXHHKK-JTQLQIEISA-N 0 3 234.365 0.090 20 0 BCADHN CC[C@@H](C[C@@H](C)CO)NCc1cn(C)nn1 ZINC000310033648 384799260 /nfs/dbraw/zinc/79/92/60/384799260.db2.gz SBJXROQWOJSCCL-ZJUUUORDSA-N 0 3 226.324 0.702 20 0 BCADHN Cn1nccc1CN1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126759064 384801418 /nfs/dbraw/zinc/80/14/18/384801418.db2.gz HZPGSDALKOJLQA-DHHPTOIESA-N 0 3 221.304 0.908 20 0 BCADHN COCOc1ccc(OC)cc1CNCCO ZINC000163441177 384804799 /nfs/dbraw/zinc/80/47/99/384804799.db2.gz FWZGPNVLQBRRKM-UHFFFAOYSA-N 0 3 241.287 0.760 20 0 BCADHN C[C@@H](N)C(=O)NCCN1CCc2ccccc2C1 ZINC000083883659 384807747 /nfs/dbraw/zinc/80/77/47/384807747.db2.gz FSNSYVFRRNBQPI-LLVKDONJSA-N 0 3 247.342 0.508 20 0 BCADHN C[C@@H](N)C(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000083884326 384807777 /nfs/dbraw/zinc/80/77/77/384807777.db2.gz UZDLIDIOBNNZDK-SSDOTTSWSA-N 0 3 239.250 0.228 20 0 BCADHN COC(C)(C)CN(C)C(=O)[C@H](N)CC(F)F ZINC000404369608 384807763 /nfs/dbraw/zinc/80/77/63/384807763.db2.gz OBCHXLLENJIHLP-SSDOTTSWSA-N 0 3 238.278 0.852 20 0 BCADHN C[C@H](N)C(=O)NCC(=O)N1CCc2ccccc21 ZINC000083884305 384807911 /nfs/dbraw/zinc/80/79/11/384807911.db2.gz DSWVQFRFUUNJOA-VIFPVBQESA-N 0 3 247.298 0.039 20 0 BCADHN CCN1CCC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000175607569 384808008 /nfs/dbraw/zinc/80/80/08/384808008.db2.gz LZYFMLTWZDYXGF-NSHDSACASA-N 0 3 236.319 0.553 20 0 BCADHN c1cn(CCN2CCc3n[nH]cc3C2)cn1 ZINC000163474051 384810488 /nfs/dbraw/zinc/81/04/88/384810488.db2.gz FLSJPXWJZULFOV-UHFFFAOYSA-N 0 3 217.276 0.665 20 0 BCADHN CNc1ccc(C(=O)N(C)CCN(C)C)cn1 ZINC000104198392 384811141 /nfs/dbraw/zinc/81/11/41/384811141.db2.gz CQRVSHDDMUJRCN-UHFFFAOYSA-N 0 3 236.319 0.757 20 0 BCADHN Cn1c(CNC(=O)C(C)(C)N)nc2ccccc21 ZINC000083908950 384814999 /nfs/dbraw/zinc/81/49/99/384814999.db2.gz NCHXWMQXYMXZDN-UHFFFAOYSA-N 0 3 246.314 0.927 20 0 BCADHN CCOCC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177104949 384871826 /nfs/dbraw/zinc/87/18/26/384871826.db2.gz IUCSGDXNIFVHKU-NXEZZACHSA-N 0 3 226.320 0.764 20 0 BCADHN CO[C@@]1(C)C[C@@H](NC(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643729459 384872621 /nfs/dbraw/zinc/87/26/21/384872621.db2.gz ZIDVZYDRYARHHH-SREGZZRCSA-N 0 3 226.320 0.653 20 0 BCADHN CO[C@@]1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643729456 384872846 /nfs/dbraw/zinc/87/28/46/384872846.db2.gz ZIDVZYDRYARHHH-ARHDFHRDSA-N 0 3 226.320 0.653 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cnccn1 ZINC000186755459 384875235 /nfs/dbraw/zinc/87/52/35/384875235.db2.gz KHIXUNARXDUHMX-UHFFFAOYSA-N 0 3 234.303 0.643 20 0 BCADHN CCN(C(=O)CN1CC[C@H](C)C1)[C@@H](C)CO ZINC000521067071 384877528 /nfs/dbraw/zinc/87/75/28/384877528.db2.gz YCTJUJMOVNLBTK-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)CCOCCNC(=O)[C@]1(F)CCNC1 ZINC000370797876 384879555 /nfs/dbraw/zinc/87/95/55/384879555.db2.gz CGLIDTMNUGRUAV-LBPRGKRZSA-N 0 3 246.326 0.867 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@@H](CO)CC1 ZINC000339748577 384880686 /nfs/dbraw/zinc/88/06/86/384880686.db2.gz FICKCHYXHNMUFK-GFCCVEGCSA-N 0 3 242.363 0.949 20 0 BCADHN O=C1CCN(CN[C@@H]2C[C@@H]3OCCC[C@H]23)CC1 ZINC000364034197 384882681 /nfs/dbraw/zinc/88/26/81/384882681.db2.gz ZTMMEFSLRSKGFH-UPJWGTAASA-N 0 3 238.331 0.766 20 0 BCADHN CC(C)[C@H]1C[C@H](NC(=O)CN)CCO1 ZINC000648162169 384882702 /nfs/dbraw/zinc/88/27/02/384882702.db2.gz MNQDIMDUBQUTQL-RKDXNWHRSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@H](N)C(=O)NCc1ccc(F)cc1F ZINC000051017805 384883693 /nfs/dbraw/zinc/88/36/93/384883693.db2.gz IEZXJJNEVOJQIJ-LURJTMIESA-N 0 3 214.215 0.928 20 0 BCADHN C[C@@H]1C[C@H](NC[C@H]2CCCCS2(=O)=O)CO1 ZINC000647200448 384890063 /nfs/dbraw/zinc/89/00/63/384890063.db2.gz IGEVSDLVXCAGTF-OUAUKWLOSA-N 0 3 247.360 0.721 20 0 BCADHN Cn1ncnc1CNC(C)(C)CN1CCCC1 ZINC000308638041 384886268 /nfs/dbraw/zinc/88/62/68/384886268.db2.gz VVHMXBIQNXFRLB-UHFFFAOYSA-N 0 3 237.351 0.779 20 0 BCADHN CC(C)n1cc(CNCCOCCO)cn1 ZINC000163971185 384887452 /nfs/dbraw/zinc/88/74/52/384887452.db2.gz MFLXVXIINPHSFS-UHFFFAOYSA-N 0 3 227.308 0.563 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)O ZINC000427619601 384844817 /nfs/dbraw/zinc/84/48/17/384844817.db2.gz BFMOZWGLIJTYGH-WCBMZHEXSA-N 0 3 226.320 0.356 20 0 BCADHN CC(C)NC(=O)CCN1CCC(C)(O)CC1 ZINC000087781441 384845161 /nfs/dbraw/zinc/84/51/61/384845161.db2.gz XNMHMALZOQLWOG-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN CCN(C)CCNc1cn[nH]c(=O)c1Cl ZINC000087798305 384850624 /nfs/dbraw/zinc/85/06/24/384850624.db2.gz RZPFZTSHZCAUFN-UHFFFAOYSA-N 0 3 230.699 0.787 20 0 BCADHN Cn1cccc1CN[C@@H]1CC(=O)N(C2CC2)C1 ZINC000174933044 384850795 /nfs/dbraw/zinc/85/07/95/384850795.db2.gz BXYHHVLHOJNRCA-SNVBAGLBSA-N 0 3 233.315 0.878 20 0 BCADHN CC(C)[C@H](C(=O)N(C)C[C@@H](C)O)N(C)C ZINC000151883303 384856004 /nfs/dbraw/zinc/85/60/04/384856004.db2.gz NUUTYJGJOHZAII-NXEZZACHSA-N 0 3 216.325 0.412 20 0 BCADHN CCOCCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105108648 384856187 /nfs/dbraw/zinc/85/61/87/384856187.db2.gz LKMLBSLACBMBOU-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN CC[C@H](Cn1cncn1)NC[C@H](O)C(F)F ZINC000336739429 384856420 /nfs/dbraw/zinc/85/64/20/384856420.db2.gz PCFDUFBKXBZBAQ-SFYZADRCSA-N 0 3 234.250 0.272 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)C2CC(C)(O)C2)C1 ZINC000336246192 384856657 /nfs/dbraw/zinc/85/66/57/384856657.db2.gz KUTRQNKCOGSAEQ-QWKFWESOSA-N 0 3 240.347 0.700 20 0 BCADHN COC(=O)c1ccccc1CCN(C)CCO ZINC000186599168 384857207 /nfs/dbraw/zinc/85/72/07/384857207.db2.gz FZZHLLWFECERFA-UHFFFAOYSA-N 0 3 237.299 0.940 20 0 BCADHN CS[C@H]1CCC[C@H](NC(=O)CN)C1 ZINC000225503866 384858046 /nfs/dbraw/zinc/85/80/46/384858046.db2.gz VKIUBFKFCVXCJI-YUMQZZPRSA-N 0 3 202.323 0.736 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000151890901 384859261 /nfs/dbraw/zinc/85/92/61/384859261.db2.gz OTJBQORYOIXMHC-VHSXEESVSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@@H](NC(=O)[C@H](C)N)[C@@H]1CCCO1 ZINC000236940879 384865032 /nfs/dbraw/zinc/86/50/32/384865032.db2.gz FINDJPMOXFMGOG-YIZRAAEISA-N 0 3 200.282 0.407 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N(C)Cc1cnccn1 ZINC000236940600 384865196 /nfs/dbraw/zinc/86/51/96/384865196.db2.gz UQXPWCCWIOVEDZ-MWLCHTKSSA-N 0 3 236.319 0.808 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1OCC[C@@H]1C ZINC000448978809 384866879 /nfs/dbraw/zinc/86/68/79/384866879.db2.gz YYOUAWZKCYIHMN-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN Cc1cc(C)n(CC(=O)NC[C@@H](C)N(C)C)n1 ZINC000046272762 384867724 /nfs/dbraw/zinc/86/77/24/384867724.db2.gz LJIBNFWWUZLQOR-LLVKDONJSA-N 0 3 238.335 0.566 20 0 BCADHN O[C@H](CNC[C@H](O)C(F)F)C(F)(F)F ZINC000236531886 384867913 /nfs/dbraw/zinc/86/79/13/384867913.db2.gz FFWNHHLWPCUXLG-IUYQGCFVSA-N 0 3 223.141 0.125 20 0 BCADHN CCC[C@H](N)C(=O)Nc1ccnc2ccnn21 ZINC000236942729 384868352 /nfs/dbraw/zinc/86/83/52/384868352.db2.gz FUHKETOAWFVNDN-QMMMGPOBSA-N 0 3 233.275 0.795 20 0 BCADHN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)CNC)C1 ZINC000236943925 384869139 /nfs/dbraw/zinc/86/91/39/384869139.db2.gz YXEWIYHFLIKPTN-LSYCYVAJSA-N 0 3 246.376 0.402 20 0 BCADHN N[C@@H](CC(F)F)C(=O)Nc1cn[nH]c1 ZINC000306438898 384949236 /nfs/dbraw/zinc/94/92/36/384949236.db2.gz MYLFIKZOVLXFOO-YFKPBYRVSA-N 0 3 204.180 0.331 20 0 BCADHN CCN(CCO)CCNC(=O)OC1CCC1 ZINC000497297724 384952141 /nfs/dbraw/zinc/95/21/41/384952141.db2.gz LFJVYMKISGCANH-UHFFFAOYSA-N 0 3 230.308 0.579 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000156760328 384960910 /nfs/dbraw/zinc/96/09/10/384960910.db2.gz WPKOCPPOASFCJS-UTLUCORTSA-N 0 3 241.335 0.239 20 0 BCADHN CCOCCNC(=O)CN(C)[C@@H](C)CC ZINC000084693192 384893633 /nfs/dbraw/zinc/89/36/33/384893633.db2.gz SPRFXJXGBGMJDD-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN CCCCN1CCCC[C@H]1CNS(N)(=O)=O ZINC000101923669 384897399 /nfs/dbraw/zinc/89/73/99/384897399.db2.gz MANZSLNRFGPSPC-JTQLQIEISA-N 0 3 249.380 0.434 20 0 BCADHN COC[C@H](CCO)NCc1c(C)n[nH]c1C ZINC000164298871 384958334 /nfs/dbraw/zinc/95/83/34/384958334.db2.gz LWJMWTVMCGEJNR-JTQLQIEISA-N 0 3 227.308 0.514 20 0 BCADHN Cc1cnn(C)c1CNCC1([S@](C)=O)CC1 ZINC000309914435 384903093 /nfs/dbraw/zinc/90/30/93/384903093.db2.gz ONCMMJDWWUIILL-INIZCTEOSA-N 0 3 241.360 0.729 20 0 BCADHN O=C1CC[C@H]2CN(C[C@@H]3CCOC3)CCN12 ZINC000336265550 384904185 /nfs/dbraw/zinc/90/41/85/384904185.db2.gz KCYAMSIEGFMUPO-QWRGUYRKSA-N 0 3 224.304 0.330 20 0 BCADHN CO[C@@H]1C[C@H](NC(=O)[C@H](N)C(C)C)C1(C)C ZINC000234854369 384904688 /nfs/dbraw/zinc/90/46/88/384904688.db2.gz CNOZTLOQGBEXOA-IVZWLZJFSA-N 0 3 228.336 0.899 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H]1CCOC1 ZINC000127670490 384910403 /nfs/dbraw/zinc/91/04/03/384910403.db2.gz PMFJXXWLKNMVHF-DTWKUNHWSA-N 0 3 215.297 0.025 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCC(F)(F)F ZINC000127669551 384911448 /nfs/dbraw/zinc/91/14/48/384911448.db2.gz HKOWUZYQLYBPOH-LURJTMIESA-N 0 3 227.230 0.798 20 0 BCADHN CCN(C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000127569660 384916259 /nfs/dbraw/zinc/91/62/59/384916259.db2.gz YKNXIRMQMFLPOJ-SNVBAGLBSA-N 0 3 211.309 0.838 20 0 BCADHN C[C@@H](CF)NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000644900803 384916862 /nfs/dbraw/zinc/91/68/62/384916862.db2.gz LRMUKFYMRRJWKR-UWVGGRQHSA-N 0 3 231.315 0.985 20 0 BCADHN COc1ccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([O-])c1 ZINC000252404832 384921866 /nfs/dbraw/zinc/92/18/66/384921866.db2.gz DETRYCCGOSSZAF-IAZYJMLFSA-N 0 3 248.282 0.348 20 0 BCADHN CC(C)N(CCO)Cc1ccc(CO)o1 ZINC000128049677 384923217 /nfs/dbraw/zinc/92/32/17/384923217.db2.gz VGKIBDFDQBDTSN-UHFFFAOYSA-N 0 3 213.277 0.975 20 0 BCADHN C[C@@H](O)CN[C@H](c1nccn1C)C1CC1 ZINC000128105714 384934599 /nfs/dbraw/zinc/93/45/99/384934599.db2.gz ZFTSNAYXVHWKLD-SCZZXKLOSA-N 0 3 209.293 0.842 20 0 BCADHN CC(=O)NC(C)(C)C(=O)Nc1cccc(CN)c1 ZINC000647607543 384935974 /nfs/dbraw/zinc/93/59/74/384935974.db2.gz VUNOYYFCIUDILM-UHFFFAOYSA-N 0 3 249.314 0.999 20 0 BCADHN Cc1occc1CNC[C@H](O)Cn1cccn1 ZINC000644527156 384936937 /nfs/dbraw/zinc/93/69/37/384936937.db2.gz QHZFAZWVSIPIFB-LBPRGKRZSA-N 0 3 235.287 0.935 20 0 BCADHN COCCOc1ncccc1CNC[C@@H](C)O ZINC000644528623 384940680 /nfs/dbraw/zinc/94/06/80/384940680.db2.gz AFOQQHWIJXBXNG-SNVBAGLBSA-N 0 3 240.303 0.577 20 0 BCADHN O=S1CCN(CCCN2CCCCC2)CC1 ZINC000161046759 384942190 /nfs/dbraw/zinc/94/21/90/384942190.db2.gz WWAYFNOYTDUUKJ-UHFFFAOYSA-N 0 3 244.404 0.927 20 0 BCADHN C[C@@H](O)CN[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000644531070 384944362 /nfs/dbraw/zinc/94/43/62/384944362.db2.gz YUYCNRLSXDXWNN-DGCLKSJQSA-N 0 3 248.326 0.758 20 0 BCADHN COCCCN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187424478 384944528 /nfs/dbraw/zinc/94/45/28/384944528.db2.gz KOKIDYMIEFJEDL-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN O=C(CCC1CC1)NC[C@@H]1C[C@H](F)CN1 ZINC000368067266 384946436 /nfs/dbraw/zinc/94/64/36/384946436.db2.gz WAEZCGSNCAKSNI-UWVGGRQHSA-N 0 3 214.284 0.993 20 0 BCADHN COc1ccccc1CNC[C@H]1COCCN1 ZINC000258856450 384947326 /nfs/dbraw/zinc/94/73/26/384947326.db2.gz GMYXHHUVYCGMTA-LBPRGKRZSA-N 0 3 236.315 0.773 20 0 BCADHN CN(C)CCNC(=O)Cn1ncc2ccccc21 ZINC000107357525 384966505 /nfs/dbraw/zinc/96/65/05/384966505.db2.gz LGRGFDHKNQHABI-UHFFFAOYSA-N 0 3 246.314 0.714 20 0 BCADHN O=C([C@@H]1CCCc2n[nH]cc21)N1CCCNCC1 ZINC000647614881 384967520 /nfs/dbraw/zinc/96/75/20/384967520.db2.gz PPOHQWVQSFXKKZ-SNVBAGLBSA-N 0 3 248.330 0.652 20 0 BCADHN C[C@@H](O)CN[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000644563064 384968631 /nfs/dbraw/zinc/96/86/31/384968631.db2.gz KIKPXQZFZCMZRO-AXFHLTTASA-N 0 3 228.336 0.746 20 0 BCADHN CN(C)CCNc1ccncc1C(N)=O ZINC000302207007 384970777 /nfs/dbraw/zinc/97/07/77/384970777.db2.gz DYPAPMNNMWZWTF-UHFFFAOYSA-N 0 3 208.265 0.154 20 0 BCADHN Cc1cc(CNC[C@@H](O)Cn2cccn2)n[nH]1 ZINC000644565049 384972939 /nfs/dbraw/zinc/97/29/39/384972939.db2.gz BJQOKJXQCAKQJW-LLVKDONJSA-N 0 3 235.291 0.065 20 0 BCADHN Cc1cc(CNC[C@@H](O)Cn2cccn2)[nH]n1 ZINC000644565049 384972944 /nfs/dbraw/zinc/97/29/44/384972944.db2.gz BJQOKJXQCAKQJW-LLVKDONJSA-N 0 3 235.291 0.065 20 0 BCADHN C[C@H](O)CCNC(=O)C[C@H](N)c1ccccc1 ZINC000085989713 384978145 /nfs/dbraw/zinc/97/81/45/384978145.db2.gz OGWVGMDLUPECPY-JQWIXIFHSA-N 0 3 236.315 0.964 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCNC(=O)C1CC1 ZINC000156833012 384980418 /nfs/dbraw/zinc/98/04/18/384980418.db2.gz FNVCLIGDENRUMP-LBPRGKRZSA-N 0 3 241.335 0.146 20 0 BCADHN CS(=O)(=O)C[C@@H](N[C@@H]1CCCOC1)C1CC1 ZINC000332034412 384986731 /nfs/dbraw/zinc/98/67/31/384986731.db2.gz XVAROQCPSDERNX-GHMZBOCLSA-N 0 3 247.360 0.578 20 0 BCADHN C[C@@H](O)CN[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000644581535 384986997 /nfs/dbraw/zinc/98/69/97/384986997.db2.gz DLQUWXSXIRTUBL-RKDXNWHRSA-N 0 3 214.309 0.356 20 0 BCADHN CSC[C@@H](O)CN(C)CCn1cccn1 ZINC000187868569 384987728 /nfs/dbraw/zinc/98/77/28/384987728.db2.gz ZCELQDVFKPDVGV-JTQLQIEISA-N 0 3 229.349 0.539 20 0 BCADHN C[C@@H](NC(=O)CN)c1ccc(NC(N)=O)cc1 ZINC000036999688 384988181 /nfs/dbraw/zinc/98/81/81/384988181.db2.gz SBFINFRFJWGEKU-SSDOTTSWSA-N 0 3 236.275 0.313 20 0 BCADHN CS(=O)(=O)C[C@@H](N[C@H]1CCCOC1)C1CC1 ZINC000332034418 384989034 /nfs/dbraw/zinc/98/90/34/384989034.db2.gz XVAROQCPSDERNX-WDEREUQCSA-N 0 3 247.360 0.578 20 0 BCADHN Cc1ccc(CN2CCC[C@@](O)(C(N)=O)C2)o1 ZINC000310340439 384990779 /nfs/dbraw/zinc/99/07/79/384990779.db2.gz CPTXQIHLFXANFS-LBPRGKRZSA-N 0 3 238.287 0.400 20 0 BCADHN CC[C@H](N)C(=O)Nc1cnn(CCOC)c1 ZINC000037043741 384991208 /nfs/dbraw/zinc/99/12/08/384991208.db2.gz SHCYPTOKXULGPY-VIFPVBQESA-N 0 3 226.280 0.205 20 0 BCADHN CN(CC(=O)N1CCC1)C1CCOCC1 ZINC000530627133 384993155 /nfs/dbraw/zinc/99/31/55/384993155.db2.gz IABXKSLXDCLLIA-UHFFFAOYSA-N 0 3 212.293 0.330 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000037020485 384993725 /nfs/dbraw/zinc/99/37/25/384993725.db2.gz USNKOPCZCDRUCY-VIFPVBQESA-N 0 3 246.274 0.338 20 0 BCADHN CC(C)[C@](C)(CO)NCC(=O)N1CCC1 ZINC000336761917 384994811 /nfs/dbraw/zinc/99/48/11/384994811.db2.gz NUTSJRVDZJQKDT-NSHDSACASA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000037025048 384995277 /nfs/dbraw/zinc/99/52/77/384995277.db2.gz NUCHBEROSHSVFH-MRVPVSSYSA-N 0 3 248.286 0.502 20 0 BCADHN C[C@H]([NH3+])CCC(=O)Nc1ncccc1[O-] ZINC000129418278 384995612 /nfs/dbraw/zinc/99/56/12/384995612.db2.gz RXNLCAGFOFRCBG-ZETCQYMHSA-N 0 3 209.249 0.853 20 0 BCADHN COCCN(C)CCNC(=O)N1CCC1(C)C ZINC000530630024 384998747 /nfs/dbraw/zinc/99/87/47/384998747.db2.gz IPWWNNPOFKCUPG-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN NC(=O)CCNCc1ccn2ccnc2c1 ZINC000644597927 384999563 /nfs/dbraw/zinc/99/95/63/384999563.db2.gz BGJQUKBIBCBEQM-UHFFFAOYSA-N 0 3 218.260 0.299 20 0 BCADHN CCC(O)(CC)CCNCc1cnnn1C ZINC000310009722 385022747 /nfs/dbraw/zinc/02/27/47/385022747.db2.gz IDYOCDKPHBKVTC-UHFFFAOYSA-N 0 3 226.324 0.846 20 0 BCADHN CCN(C)CCNC(=O)C1=COCCC1 ZINC000107781436 385003171 /nfs/dbraw/zinc/00/31/71/385003171.db2.gz CGOMPXXSEKCPGE-UHFFFAOYSA-N 0 3 212.293 0.749 20 0 BCADHN CC[C@@H](N)C(=O)N1CCCO[C@@H](C)C1 ZINC000061920417 385003726 /nfs/dbraw/zinc/00/37/26/385003726.db2.gz RZNXFMHLXOTWIR-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN CS(=O)(=O)CC1(CNCc2cc[nH]c2)CC1 ZINC000086256309 385004080 /nfs/dbraw/zinc/00/40/80/385004080.db2.gz LWWQXHNUXHUYKV-UHFFFAOYSA-N 0 3 242.344 0.929 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCc1cnn(C)c1 ZINC000128144782 385004405 /nfs/dbraw/zinc/00/44/05/385004405.db2.gz HUKTZSZPTOMSCS-LBPRGKRZSA-N 0 3 238.335 0.596 20 0 BCADHN CCN(CCO)Cc1ccc(C(N)=O)cc1 ZINC000029840450 385006040 /nfs/dbraw/zinc/00/60/40/385006040.db2.gz GVCSUHFWGPGGAB-UHFFFAOYSA-N 0 3 222.288 0.600 20 0 BCADHN CCC[C@@H](C)[C@@H](CO)NCC(=O)N(C)C ZINC000518382807 385022973 /nfs/dbraw/zinc/02/29/73/385022973.db2.gz DDFIWHJQSOQAGC-NXEZZACHSA-N 0 3 216.325 0.461 20 0 BCADHN CC[C@H](CO)NCc1ccc(C(=O)OC)[nH]1 ZINC000086329605 385009574 /nfs/dbraw/zinc/00/95/74/385009574.db2.gz FPXQAJIVQKFXTO-MRVPVSSYSA-N 0 3 226.276 0.662 20 0 BCADHN CN1Cc2ccccc2[C@H](NCCC(N)=O)C1 ZINC000644609869 385010169 /nfs/dbraw/zinc/01/01/69/385010169.db2.gz NDAJMQDQXPKTLE-GFCCVEGCSA-N 0 3 233.315 0.638 20 0 BCADHN OCC1(NCc2ccns2)CCOCC1 ZINC000404467937 385013702 /nfs/dbraw/zinc/01/37/02/385013702.db2.gz XSAGJTGYQSNBAU-UHFFFAOYSA-N 0 3 228.317 0.774 20 0 BCADHN COC[C@H](C)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000300863956 385015187 /nfs/dbraw/zinc/01/51/87/385015187.db2.gz KYISVLUPFNJBFB-GARJFASQSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H](O)CCN1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000497135428 385018072 /nfs/dbraw/zinc/01/80/72/385018072.db2.gz XQDHCQJDUVANDE-GHMZBOCLSA-N 0 3 244.335 0.920 20 0 BCADHN C[C@@H](Cn1cccn1)NC(=O)[C@H](N)CC(F)F ZINC000310369606 385018023 /nfs/dbraw/zinc/01/80/23/385018023.db2.gz NHERWAUOHUJDQR-JGVFFNPUSA-N 0 3 246.261 0.370 20 0 BCADHN C[C@H](C(=O)N(C)CCN(C)C)c1cnn(C)c1 ZINC000530703319 385018670 /nfs/dbraw/zinc/01/86/70/385018670.db2.gz ILJAZLXWEGNJBS-JTQLQIEISA-N 0 3 238.335 0.544 20 0 BCADHN C[C@@H](N[C@H]1CCOC1(C)C)C(=O)NCCF ZINC000340380121 385050336 /nfs/dbraw/zinc/05/03/36/385050336.db2.gz FLIRMAIHCLJGGQ-BDAKNGLRSA-N 0 3 232.299 0.618 20 0 BCADHN COC(C)(C)[C@H](C)NCc1cnnn1C ZINC000340400363 385053653 /nfs/dbraw/zinc/05/36/53/385053653.db2.gz IBKFZWRROLBHMQ-QMMMGPOBSA-N 0 3 212.297 0.718 20 0 BCADHN COc1ccc(CNC[C@@H](C)O)c(OC)n1 ZINC000644651395 385054786 /nfs/dbraw/zinc/05/47/86/385054786.db2.gz BBHYYBRXVWELMC-MRVPVSSYSA-N 0 3 226.276 0.569 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cccc(=O)[nH]3)[C@H]2C1 ZINC000646918627 385056500 /nfs/dbraw/zinc/05/65/00/385056500.db2.gz ZVMLIFJBLYSWBO-KOLCDFICSA-N 0 3 247.298 0.563 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@]2(C)CCOC2)C1 ZINC000646916323 385057397 /nfs/dbraw/zinc/05/73/97/385057397.db2.gz FYIAJYJYIHIUCN-GVXVVHGQSA-N 0 3 238.331 0.576 20 0 BCADHN CCOc1cc(N2CC(N(C)C)C2)ncn1 ZINC000128641747 385058415 /nfs/dbraw/zinc/05/84/15/385058415.db2.gz WWMFFMFHXJMZNU-UHFFFAOYSA-N 0 3 222.292 0.626 20 0 BCADHN C[C@@H](C(=O)N1CC[C@@H]2CN(C)C[C@@H]21)N(C)C ZINC000646917148 385059230 /nfs/dbraw/zinc/05/92/30/385059230.db2.gz YLYFLQNXPHPMIS-AXFHLTTASA-N 0 3 225.336 0.099 20 0 BCADHN CC(C)CC[C@H](O)CNC1COCCOC1 ZINC000644652407 385060075 /nfs/dbraw/zinc/06/00/75/385060075.db2.gz JIRBLCLFWQDMBX-LBPRGKRZSA-N 0 3 231.336 0.789 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)CCC(C)(C)O)C1 ZINC000646920439 385060498 /nfs/dbraw/zinc/06/04/98/385060498.db2.gz RLXDXGRUNIBNEZ-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN Cc1nc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)co1 ZINC000646922023 385060898 /nfs/dbraw/zinc/06/08/98/385060898.db2.gz ICGLVUNDZXTRQT-GXSJLCMTSA-N 0 3 235.287 0.759 20 0 BCADHN COC1(C(=O)N2CC[C@H]3CN(C)C[C@H]32)CCC1 ZINC000646924094 385061254 /nfs/dbraw/zinc/06/12/54/385061254.db2.gz APXUNPXPFRXNCV-WDEREUQCSA-N 0 3 238.331 0.718 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC000557636180 385062352 /nfs/dbraw/zinc/06/23/52/385062352.db2.gz WRDOFDJXUODUSH-SRVKXCTJSA-N 0 3 242.363 0.851 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)ncn1 ZINC000646924257 385062586 /nfs/dbraw/zinc/06/25/86/385062586.db2.gz DYGYIGZIRUNQED-CMPLNLGQSA-N 0 3 246.314 0.561 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@](C)(O)C2CC2)C1 ZINC000646913851 385064210 /nfs/dbraw/zinc/06/42/10/385064210.db2.gz OADBTTKEEXQKCV-XHVZSJERSA-N 0 3 238.331 0.310 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Cn3ccnc3)[C@H]2C1 ZINC000646914096 385064270 /nfs/dbraw/zinc/06/42/70/385064270.db2.gz PKPDKXBRGWVOSO-MNOVXSKESA-N 0 3 234.303 0.046 20 0 BCADHN COCC(C)(C)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000646911855 385065321 /nfs/dbraw/zinc/06/53/21/385065321.db2.gz IIKMOZITGUWDRU-QWRGUYRKSA-N 0 3 240.347 0.822 20 0 BCADHN CCO[C@H](CC)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646913454 385065976 /nfs/dbraw/zinc/06/59/76/385065976.db2.gz GVDFEQVHVXSKMQ-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN CN1CCC[C@@H](NC(=O)C2CC(C)(O)C2)C1 ZINC000648273988 385066201 /nfs/dbraw/zinc/06/62/01/385066201.db2.gz DRQZJASCCOFNJS-SQLBVSGCSA-N 0 3 226.320 0.358 20 0 BCADHN Cc1ccn(CC(=O)N[C@@H]2CCCN(C)C2)n1 ZINC000648274250 385066297 /nfs/dbraw/zinc/06/62/97/385066297.db2.gz UIHKEFVOLYPFGV-LLVKDONJSA-N 0 3 236.319 0.402 20 0 BCADHN CCn1ccnc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000646912151 385066803 /nfs/dbraw/zinc/06/68/03/385066803.db2.gz NYAYRCSFOIAONU-QWRGUYRKSA-N 0 3 248.330 0.679 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C2=CCOCC2)C1 ZINC000646912490 385067229 /nfs/dbraw/zinc/06/72/29/385067229.db2.gz VQOLKSJNGTVURA-RYUDHWBXSA-N 0 3 236.315 0.496 20 0 BCADHN CCN1CC[C@H](CNC(=O)CCC(C)=O)C1 ZINC000203584444 385069620 /nfs/dbraw/zinc/06/96/20/385069620.db2.gz LXPGYSARWCFPCP-LLVKDONJSA-N 0 3 226.320 0.814 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3(C)COC3)[C@@H]2C1 ZINC000646915123 385070366 /nfs/dbraw/zinc/07/03/66/385070366.db2.gz KEYZFVVYZZFESY-NXEZZACHSA-N 0 3 224.304 0.185 20 0 BCADHN C[C@@H](O)CN(CCO)CCC(=O)OC(C)(C)C ZINC000310462143 385071109 /nfs/dbraw/zinc/07/11/09/385071109.db2.gz WAIYQSAXVADAIQ-SNVBAGLBSA-N 0 3 247.335 0.393 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)C3(C)COC3)[C@@H]2C1 ZINC000646915125 385071194 /nfs/dbraw/zinc/07/11/94/385071194.db2.gz KEYZFVVYZZFESY-VHSXEESVSA-N 0 3 224.304 0.185 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646933978 385073161 /nfs/dbraw/zinc/07/31/61/385073161.db2.gz LWEGLRBADLXNCY-CMPLNLGQSA-N 0 3 248.330 0.423 20 0 BCADHN CCc1n[nH]cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646927440 385074300 /nfs/dbraw/zinc/07/43/00/385074300.db2.gz KUNVMBDFUPJNSH-SKDRFNHKSA-N 0 3 248.330 0.748 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1 ZINC000646930278 385074372 /nfs/dbraw/zinc/07/43/72/385074372.db2.gz BEJHHWJCPQSDHN-PSASIEDQSA-N 0 3 220.276 0.186 20 0 BCADHN CN1CCC(NC(=O)c2cnc[nH]2)CC1 ZINC000060313760 385076268 /nfs/dbraw/zinc/07/62/68/385076268.db2.gz IADVOMKGWDBWFQ-UHFFFAOYSA-N 0 3 208.265 0.234 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646930740 385076638 /nfs/dbraw/zinc/07/66/38/385076638.db2.gz MPNUEIZVUMPPKE-NWDGAFQWSA-N 0 3 239.363 0.489 20 0 BCADHN CC[C@@H](N[C@@H](C)CS(C)(=O)=O)C(C)(C)O ZINC000340504596 385081666 /nfs/dbraw/zinc/08/16/66/385081666.db2.gz QBCJCHCUPCLQOV-DTWKUNHWSA-N 0 3 237.365 0.559 20 0 BCADHN Cc1cc(C(=O)NC2CCN(C)CC2)[nH]n1 ZINC000108207631 385023900 /nfs/dbraw/zinc/02/39/00/385023900.db2.gz HDLRNJNTSIZKLG-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN COC[C@H](O)CCNCc1cc(C)ns1 ZINC000404500528 385024191 /nfs/dbraw/zinc/02/41/91/385024191.db2.gz WTDWUVRCGGMECP-SECBINFHSA-N 0 3 230.333 0.939 20 0 BCADHN COc1ccnc(NC(=O)COC2CNC2)c1 ZINC000566191450 385085282 /nfs/dbraw/zinc/08/52/82/385085282.db2.gz MLPRWQJKVIXIAA-UHFFFAOYSA-N 0 3 237.259 0.017 20 0 BCADHN CC[C@@H](O)CNC[C@@H]1CCCCS1(=O)=O ZINC000644619752 385027972 /nfs/dbraw/zinc/02/79/72/385027972.db2.gz GFLYARLEFYUOJR-ZJUUUORDSA-N 0 3 235.349 0.314 20 0 BCADHN Cc1n[nH]cc1C(=O)NCCN(C)C1CC1 ZINC000058857649 385028933 /nfs/dbraw/zinc/02/89/33/385028933.db2.gz BRRDEIMDKSVYFS-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN C[C@@H]1C[C@@H](N[C@H](CO)CC(F)F)CO1 ZINC000647206628 385030361 /nfs/dbraw/zinc/03/03/61/385030361.db2.gz ZRANNSGTUKXQAJ-GJMOJQLCSA-N 0 3 209.236 0.770 20 0 BCADHN CCCNS(=O)(=O)N1CCC[C@@H]1CN(C)C ZINC000408362117 385031139 /nfs/dbraw/zinc/03/11/39/385031139.db2.gz LTFMQDDOKASCHF-SNVBAGLBSA-N 0 3 249.380 0.257 20 0 BCADHN O=C(Nn1cnc2ccccc21)[C@H]1C[C@H](F)CN1 ZINC000188267314 385031277 /nfs/dbraw/zinc/03/12/77/385031277.db2.gz UPUSAMFSYJBCKN-WCBMZHEXSA-N 0 3 248.261 0.806 20 0 BCADHN COC[C@@H](NC[C@@H](C)O)[C@H]1CCCO1 ZINC000644635338 385037135 /nfs/dbraw/zinc/03/71/35/385037135.db2.gz YSPSSRPZSLTFCJ-OPRDCNLKSA-N 0 3 203.282 0.151 20 0 BCADHN COC[C@@H](NC[C@@H](C)O)[C@@H]1CCCO1 ZINC000644635337 385038030 /nfs/dbraw/zinc/03/80/30/385038030.db2.gz YSPSSRPZSLTFCJ-BBBLOLIVSA-N 0 3 203.282 0.151 20 0 BCADHN CCOC[C@@H](O)CN1CCC([C@H](C)O)CC1 ZINC000226657730 385040656 /nfs/dbraw/zinc/04/06/56/385040656.db2.gz SGVNUAAGTXZHMS-JQWIXIFHSA-N 0 3 231.336 0.477 20 0 BCADHN CC(C)(C)C(=O)NCCNC(=O)C(C)(C)N ZINC000156999028 385042401 /nfs/dbraw/zinc/04/24/01/385042401.db2.gz DWIUUQWFDWPGRN-UHFFFAOYSA-N 0 3 229.324 0.002 20 0 BCADHN CC[C@]1(C)C[C@H]1C(=O)NCCNCCOC ZINC000152277626 385042706 /nfs/dbraw/zinc/04/27/06/385042706.db2.gz ARZMXXKZGCNXHA-CMPLNLGQSA-N 0 3 228.336 0.775 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCC(C)(C)C(=O)NC ZINC000226692043 385045358 /nfs/dbraw/zinc/04/53/58/385045358.db2.gz VULJJHBBUSJFHY-GFCCVEGCSA-N 0 3 243.351 0.392 20 0 BCADHN CCN1CC[C@H](NCC2(O)CCC2)C1=O ZINC000644642279 385046297 /nfs/dbraw/zinc/04/62/97/385046297.db2.gz DIUBEAYSHYHFLO-VIFPVBQESA-N 0 3 212.293 0.112 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052009868 385109750 /nfs/dbraw/zinc/10/97/50/385109750.db2.gz HZNFRFISFOSYJB-AEJSXWLSSA-N 0 3 214.309 0.534 20 0 BCADHN C[C@H](N)C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227410627 385141416 /nfs/dbraw/zinc/14/14/16/385141416.db2.gz OWWCSQBRLBTKBL-DCAQKATOSA-N 0 3 225.336 0.419 20 0 BCADHN Cc1nc(CCNCc2cn(C(C)C)nn2)n[nH]1 ZINC000342156001 385118748 /nfs/dbraw/zinc/11/87/48/385118748.db2.gz CVNXIDIHJWTAIP-UHFFFAOYSA-N 0 3 249.322 0.618 20 0 BCADHN Cc1nnc(CCNCc2cn(C(C)C)nn2)[nH]1 ZINC000342156001 385118752 /nfs/dbraw/zinc/11/87/52/385118752.db2.gz CVNXIDIHJWTAIP-UHFFFAOYSA-N 0 3 249.322 0.618 20 0 BCADHN C[C@@H](C(=O)N1CC[C@@H](O)C1)N1[C@H](C)CC[C@H]1C ZINC000305144841 385121491 /nfs/dbraw/zinc/12/14/91/385121491.db2.gz NERHQZWJJXSGNP-WISYIIOYSA-N 0 3 240.347 0.841 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000227358366 385123684 /nfs/dbraw/zinc/12/36/84/385123684.db2.gz MZAVARGYRNFPFN-LLVKDONJSA-N 0 3 248.286 0.784 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000227378673 385125956 /nfs/dbraw/zinc/12/59/56/385125956.db2.gz BKUWKMDKHONVMV-GARJFASQSA-N 0 3 228.336 0.903 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@H](C)c1ccccc1 ZINC000227376804 385126011 /nfs/dbraw/zinc/12/60/11/385126011.db2.gz BBFBNPPQLXEOAN-CMPLNLGQSA-N 0 3 236.315 0.880 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@H](C)c1ccccc1 ZINC000227376798 385126674 /nfs/dbraw/zinc/12/66/74/385126674.db2.gz BBFBNPPQLXEOAN-JQWIXIFHSA-N 0 3 236.315 0.880 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCCN(C)C ZINC000162215268 385126774 /nfs/dbraw/zinc/12/67/74/385126774.db2.gz BBERJUQNVULBGD-SNVBAGLBSA-N 0 3 236.381 0.351 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@@H](C)c1ccccc1 ZINC000227376791 385127521 /nfs/dbraw/zinc/12/75/21/385127521.db2.gz BBFBNPPQLXEOAN-ZYHUDNBSSA-N 0 3 236.315 0.880 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1ccccn1 ZINC000227350033 385128989 /nfs/dbraw/zinc/12/89/89/385128989.db2.gz WHYFZEKUAFQNNQ-SNVBAGLBSA-N 0 3 223.276 0.014 20 0 BCADHN OC[C@H]1[C@@H]2CN(Cc3cccnc3)C[C@H]12 ZINC000644714199 385129433 /nfs/dbraw/zinc/12/94/33/385129433.db2.gz KYACQWFCYKBIBP-GDNZZTSVSA-N 0 3 204.273 0.752 20 0 BCADHN OC[C@H]1[C@@H]2CN(CCOC[C@@H]3CCCO3)C[C@H]12 ZINC000644714230 385130138 /nfs/dbraw/zinc/13/01/38/385130138.db2.gz OCCTUIWPBDYUQO-WUHRBBMRSA-N 0 3 241.331 0.352 20 0 BCADHN COCc1cccc(NC(=O)[C@@H](CN)OC)c1 ZINC000227352573 385130454 /nfs/dbraw/zinc/13/04/54/385130454.db2.gz IMFOJLGXPWFAOK-LLVKDONJSA-N 0 3 238.287 0.745 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC[C@H]1c1cccnc1 ZINC000227350575 385131916 /nfs/dbraw/zinc/13/19/16/385131916.db2.gz PUBDCKKMTGHASB-RYUDHWBXSA-N 0 3 249.314 0.719 20 0 BCADHN CC1(C)CCN(CC(=O)N2CCCO2)C1 ZINC000557670196 385087020 /nfs/dbraw/zinc/08/70/20/385087020.db2.gz RUAJSVFVQNJOJC-UHFFFAOYSA-N 0 3 212.293 0.882 20 0 BCADHN CC(C)[C@@](C)(O)CNC(=O)/C=C\CN(C)C ZINC000491946054 385089782 /nfs/dbraw/zinc/08/97/82/385089782.db2.gz AAHUYOWBHNRDIB-DGMVEKRQSA-N 0 3 228.336 0.627 20 0 BCADHN COC(=O)CCCN1C[C@H](O)C[C@@H]1C ZINC000340915328 385091977 /nfs/dbraw/zinc/09/19/77/385091977.db2.gz SHLDNUDKZUMJAX-DTWKUNHWSA-N 0 3 201.266 0.395 20 0 BCADHN CC[C@H](N[C@H](C)CS(C)(=O)=O)[C@H]1CCCO1 ZINC000246008342 385093999 /nfs/dbraw/zinc/09/39/99/385093999.db2.gz HQGBUTNYTPEULC-OUAUKWLOSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H]1C[C@H](O)CN1CCc1ccnn1C ZINC000308774226 385095575 /nfs/dbraw/zinc/09/55/75/385095575.db2.gz IASHNCRKFIFGIC-KOLCDFICSA-N 0 3 209.293 0.418 20 0 BCADHN CCS(=O)(=O)NCCN1CCC[C@H]1C1CC1 ZINC000363368749 385096185 /nfs/dbraw/zinc/09/61/85/385096185.db2.gz XSEGCOWZTFSDBT-NSHDSACASA-N 0 3 246.376 0.800 20 0 BCADHN CN(CCCCO)CCN1CCOCC1 ZINC000304040836 385098769 /nfs/dbraw/zinc/09/87/69/385098769.db2.gz IPTSHXFEZREVNT-UHFFFAOYSA-N 0 3 216.325 0.023 20 0 BCADHN CC(=O)C1(C(=O)NC[C@H]2CCCN(C)C2)CC1 ZINC000559648576 385107219 /nfs/dbraw/zinc/10/72/19/385107219.db2.gz BIQRTDPZWLUKCC-LLVKDONJSA-N 0 3 238.331 0.814 20 0 BCADHN CCN(C)CCNC(=O)c1cscn1 ZINC000062663820 385181500 /nfs/dbraw/zinc/18/15/00/385181500.db2.gz IUWNKSQYBIMDLX-UHFFFAOYSA-N 0 3 213.306 0.825 20 0 BCADHN C[C@@H](N)C(=O)NCc1cccc(CO)c1 ZINC000178111892 385183517 /nfs/dbraw/zinc/18/35/17/385183517.db2.gz DXYSCNYXOVWDAI-MRVPVSSYSA-N 0 3 208.261 0.142 20 0 BCADHN Cc1cc(=O)c(C(=O)N[C@@H](C)CN(C)C)c[nH]1 ZINC000235100803 385185253 /nfs/dbraw/zinc/18/52/53/385185253.db2.gz NINJYTBBDWEVIX-VIFPVBQESA-N 0 3 237.303 0.363 20 0 BCADHN CC[C@@H](NCc1cccc2nccn21)C(=O)NC ZINC000449770073 385188637 /nfs/dbraw/zinc/18/86/37/385188637.db2.gz FHEDMEASSDQLDF-LLVKDONJSA-N 0 3 246.314 0.949 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644728405 385189305 /nfs/dbraw/zinc/18/93/05/385189305.db2.gz HSXARTVPSWSOCN-SDDRHHMPSA-N 0 3 239.363 0.537 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)c1cc[nH]c1 ZINC000152530024 385191127 /nfs/dbraw/zinc/19/11/27/385191127.db2.gz SMYOYLAUFRDJLX-NSHDSACASA-N 0 3 225.292 0.057 20 0 BCADHN Cc1cn[nH]c1CNCC(=O)NC(C)C ZINC000289687867 385191286 /nfs/dbraw/zinc/19/12/86/385191286.db2.gz BDABNBHNJADYHE-UHFFFAOYSA-N 0 3 210.281 0.332 20 0 BCADHN NCc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)o1 ZINC000647057983 385195541 /nfs/dbraw/zinc/19/55/41/385195541.db2.gz GKLWHUIJFHYCBZ-YUMQZZPRSA-N 0 3 241.266 0.168 20 0 BCADHN CN(Cc1cncn1C)C[C@H]1CCOC1 ZINC000177210965 385197867 /nfs/dbraw/zinc/19/78/67/385197867.db2.gz QPLPOHOKPKDBRB-SNVBAGLBSA-N 0 3 209.293 0.888 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@H](C)Cn1ccnc1 ZINC000165581727 385147896 /nfs/dbraw/zinc/14/78/96/385147896.db2.gz CVVKBIQTHHSSEW-GHMZBOCLSA-N 0 3 238.335 0.619 20 0 BCADHN CN(CCn1ccccc1=O)C1(CO)CCC1 ZINC000644783226 385151540 /nfs/dbraw/zinc/15/15/40/385151540.db2.gz OWPGRUXCIZKZSP-UHFFFAOYSA-N 0 3 236.315 0.695 20 0 BCADHN C[C@H](CC(N)=O)N[C@H](CO)c1ccccc1 ZINC000304720097 385151586 /nfs/dbraw/zinc/15/15/86/385151586.db2.gz OHOQOMMLQOINQV-MWLCHTKSSA-N 0 3 222.288 0.574 20 0 BCADHN C[C@@H](NCCN1C(=O)CNC1=O)c1ccccc1 ZINC000129504257 385153251 /nfs/dbraw/zinc/15/32/51/385153251.db2.gz BUXDENWDTZNUSB-SNVBAGLBSA-N 0 3 247.298 0.889 20 0 BCADHN Cn1cc(CCN2C[C@@H](O)C(C)(C)C2)cn1 ZINC000279637213 385157914 /nfs/dbraw/zinc/15/79/14/385157914.db2.gz APNLNPJVIWSKBX-LLVKDONJSA-N 0 3 223.320 0.665 20 0 BCADHN CCCCN(C)C(=O)CN1CCNCC1 ZINC000019976693 385159868 /nfs/dbraw/zinc/15/98/68/385159868.db2.gz MVVDAXGJTBPNPK-UHFFFAOYSA-N 0 3 213.325 0.150 20 0 BCADHN Cc1c[nH]nc1CNC[C@@]1(O)CCO[C@H]1C ZINC000289674440 385162390 /nfs/dbraw/zinc/16/23/90/385162390.db2.gz ZXRWABSLVRPPAC-ONGXEEELSA-N 0 3 225.292 0.348 20 0 BCADHN Cc1c[nH]nc1CNC[C@]1(O)CCO[C@@H]1C ZINC000289674438 385162580 /nfs/dbraw/zinc/16/25/80/385162580.db2.gz ZXRWABSLVRPPAC-MWLCHTKSSA-N 0 3 225.292 0.348 20 0 BCADHN CN(C)CCNC(=O)Cc1cncs1 ZINC000189516056 385162859 /nfs/dbraw/zinc/16/28/59/385162859.db2.gz AFLXIQWQSJYFQG-UHFFFAOYSA-N 0 3 213.306 0.363 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000157404723 385166991 /nfs/dbraw/zinc/16/69/91/385166991.db2.gz ZJHTUDBUBZVFFW-WCBMZHEXSA-N 0 3 224.260 0.527 20 0 BCADHN COC1(C)CCN([C@H]2COC[C@H]2O)CC1 ZINC000308800687 385169484 /nfs/dbraw/zinc/16/94/84/385169484.db2.gz DNICLSKFJWEBMV-VHSXEESVSA-N 0 3 215.293 0.247 20 0 BCADHN C[C@H]1[C@H](NC(=O)N2CC(CO)C2)CCCN1C ZINC000359291179 385170919 /nfs/dbraw/zinc/17/09/19/385170919.db2.gz SLHDZAAZYXFLQO-GXSJLCMTSA-N 0 3 241.335 0.103 20 0 BCADHN CCc1nnc(CN2CC[C@H]3CN(C)C[C@@H]32)o1 ZINC000644727796 385172997 /nfs/dbraw/zinc/17/29/97/385172997.db2.gz BWDQMBWVSDVXHW-UWVGGRQHSA-N 0 3 236.319 0.768 20 0 BCADHN CO[C@H](CNC(=O)[C@@H](C)N)c1ccccc1 ZINC000152319495 385173454 /nfs/dbraw/zinc/17/34/54/385173454.db2.gz XPVDMIIBBRRGAN-MWLCHTKSSA-N 0 3 222.288 0.838 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccncc1F ZINC000647058220 385202445 /nfs/dbraw/zinc/20/24/45/385202445.db2.gz VZUIBLQXNBQHSB-YUMQZZPRSA-N 0 3 241.241 0.651 20 0 BCADHN CC[C@H](NCc1cnnn1C)[C@H]1CCCO1 ZINC000119824835 385176885 /nfs/dbraw/zinc/17/68/85/385176885.db2.gz WLGSMQFJGYQIRE-WDEREUQCSA-N 0 3 224.308 0.862 20 0 BCADHN COc1ncncc1CNc1nccn1C ZINC000647644400 385178546 /nfs/dbraw/zinc/17/85/46/385178546.db2.gz QKHNEFAJTJLODN-UHFFFAOYSA-N 0 3 219.248 0.831 20 0 BCADHN CSCCN(CC(N)=O)C(C)(C)C ZINC000178214200 385206958 /nfs/dbraw/zinc/20/69/58/385206958.db2.gz ZCPMHSHNMVSHAQ-UHFFFAOYSA-N 0 3 204.339 0.935 20 0 BCADHN O=C1NCC[C@@H]1N1CCCC2(CCOCC2)C1 ZINC000336379377 385207595 /nfs/dbraw/zinc/20/75/95/385207595.db2.gz TZCHFRXTGAUNKA-NSHDSACASA-N 0 3 238.331 0.768 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CC[S@](=O)[C@H](C)C1 ZINC000569337443 385210809 /nfs/dbraw/zinc/21/08/09/385210809.db2.gz AIQRKSHONDBSCU-VTVITOLOSA-N 0 3 246.376 0.339 20 0 BCADHN C[C@@H](N)C(=O)N1CCS[C@@H](C)[C@H]1C ZINC000157705485 385256250 /nfs/dbraw/zinc/25/62/50/385256250.db2.gz UZZNKSVZKPPPLR-PRJMDXOYSA-N 0 3 202.323 0.686 20 0 BCADHN COC(=O)CCN1CC[C@H](C(=O)OC)C1 ZINC000107821511 385213313 /nfs/dbraw/zinc/21/33/13/385213313.db2.gz GZRXYXMSWFZYCX-QMMMGPOBSA-N 0 3 215.249 0.044 20 0 BCADHN O=C1C[C@H](N[C@@H]2CCOC2)[C@H]2CCCCN12 ZINC000300964963 385214919 /nfs/dbraw/zinc/21/49/19/385214919.db2.gz PXQIGLUUHCCDNK-OUAUKWLOSA-N 0 3 224.304 0.518 20 0 BCADHN Cc1cnc(NC(=O)CN2CCNCC2)s1 ZINC000020521300 385217312 /nfs/dbraw/zinc/21/73/12/385217312.db2.gz AWHIWCZCUJJIBI-UHFFFAOYSA-N 0 3 240.332 0.295 20 0 BCADHN COC[C@@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000019412328 385218152 /nfs/dbraw/zinc/21/81/52/385218152.db2.gz AOQOABOSYIPPLP-BDAKNGLRSA-N 0 3 200.282 0.280 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](C)CO)N(CC)CC ZINC000448261260 385218559 /nfs/dbraw/zinc/21/85/59/385218559.db2.gz DOQNCBKRNLFCHD-MNOVXSKESA-N 0 3 230.352 0.851 20 0 BCADHN CC(C)CN(CCC(=O)OC(C)C)CC(N)=O ZINC000157599724 385221260 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/nfs/dbraw/zinc/25/73/40/385257340.db2.gz UQQWNSDFVSEFQZ-UHFFFAOYSA-N 0 3 235.291 0.692 20 0 BCADHN CN(C)C/C=C/C(=O)NC1(CC(N)=O)CCC1 ZINC000492089681 385236029 /nfs/dbraw/zinc/23/60/29/385236029.db2.gz XMMRUXQFNRYNQI-HWKANZROSA-N 0 3 239.319 0.019 20 0 BCADHN Cc1ccc(C(=O)NC[C@@](C)(O)CN(C)C)o1 ZINC000153124827 385236474 /nfs/dbraw/zinc/23/64/74/385236474.db2.gz DGZJONQUHFIJMC-GFCCVEGCSA-N 0 3 240.303 0.630 20 0 BCADHN CCOC[C@H](O)CN1CCCO[C@H](C)C1 ZINC000068951123 385237751 /nfs/dbraw/zinc/23/77/51/385237751.db2.gz NFELWJAYAVTQRR-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN C[C@@H](C(=O)NC[C@@H]1CNCCO1)c1ccccc1 ZINC000235152635 385238204 /nfs/dbraw/zinc/23/82/04/385238204.db2.gz BFVADHVJBZUWLT-YPMHNXCESA-N 0 3 248.326 0.895 20 0 BCADHN CCOC[C@H](O)CN1CCSCC1 ZINC000068950043 385238900 /nfs/dbraw/zinc/23/89/00/385238900.db2.gz BUHSMJPJBAXEKT-SECBINFHSA-N 0 3 205.323 0.433 20 0 BCADHN Cn1ccnc1CNCCC1CC(O)C1 ZINC000308872917 385239167 /nfs/dbraw/zinc/23/91/67/385239167.db2.gz 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ZINC000308955031 385308026 /nfs/dbraw/zinc/30/80/26/385308026.db2.gz YYFCGAZRHTUMSO-VIFPVBQESA-N 0 3 237.369 0.111 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1cnc[nH]1 ZINC000167307697 385308315 /nfs/dbraw/zinc/30/83/15/385308315.db2.gz IKNFDOMKUVUJEC-VIFPVBQESA-N 0 3 222.292 0.624 20 0 BCADHN CN(C)CCNC(=O)CCCn1cccc1 ZINC000131130720 385310506 /nfs/dbraw/zinc/31/05/06/385310506.db2.gz LQBOVIFOAKVFLP-UHFFFAOYSA-N 0 3 223.320 0.946 20 0 BCADHN CCCNC(=O)CN[C@H]1COCC1(C)C ZINC000313060464 385312661 /nfs/dbraw/zinc/31/26/61/385312661.db2.gz VZLUASPDXGETPA-VIFPVBQESA-N 0 3 214.309 0.527 20 0 BCADHN Cn1cc(CNCC2([S@@](C)=O)CC2)cn1 ZINC000308961156 385314608 /nfs/dbraw/zinc/31/46/08/385314608.db2.gz SCQJZZHJFXZLPK-OAHLLOKOSA-N 0 3 227.333 0.421 20 0 BCADHN COCC[C@H](C)NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000167453351 385316503 /nfs/dbraw/zinc/31/65/03/385316503.db2.gz QVLWFFTVTHCHKU-OUAUKWLOSA-N 0 3 228.336 0.916 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H]1CCCN(C)C1=O ZINC000308964769 385316513 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NDMFTXXVNQTBAA-UHFFFAOYSA-N 0 3 241.320 0.754 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000153562629 385263190 /nfs/dbraw/zinc/26/31/90/385263190.db2.gz XHLMRPZZJWKAQM-OIBJUYFYSA-N 0 3 226.251 0.323 20 0 BCADHN Cc1cnc(CN2CC[C@H]3CN(C)C[C@H]32)nc1 ZINC000644731583 385264649 /nfs/dbraw/zinc/26/46/49/385264649.db2.gz GDDZOLBOZOURQI-NWDGAFQWSA-N 0 3 232.331 0.921 20 0 BCADHN C[C@@H](CN(C)C)Nc1ncnc2nc[nH]c21 ZINC000130594205 385264722 /nfs/dbraw/zinc/26/47/22/385264722.db2.gz OCPMJVJZCFZKCX-ZETCQYMHSA-N 0 3 220.280 0.715 20 0 BCADHN COc1cnc(C(=O)N(C)CCN(C)C)nc1 ZINC000341782664 385265244 /nfs/dbraw/zinc/26/52/44/385265244.db2.gz IWPMAXCZBTVHIB-UHFFFAOYSA-N 0 3 238.291 0.119 20 0 BCADHN C[C@H](N)C(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000153562513 385265369 /nfs/dbraw/zinc/26/53/69/385265369.db2.gz XHLMRPZZJWKAQM-XVKPBYJWSA-N 0 3 226.251 0.323 20 0 BCADHN C[C@H](Cn1cccn1)N[C@@H](CO)[C@H]1CCCO1 ZINC000448274226 385265420 /nfs/dbraw/zinc/26/54/20/385265420.db2.gz XOKJJJQTALUAFJ-GRYCIOLGSA-N 0 3 239.319 0.401 20 0 BCADHN CN1C[C@H]2CCN(Cc3ccno3)[C@H]2C1 ZINC000644731959 385269428 /nfs/dbraw/zinc/26/94/28/385269428.db2.gz PGIPBVVKGDJQEJ-KOLCDFICSA-N 0 3 207.277 0.811 20 0 BCADHN CCC(CC)[C@H](O)CNC(=O)[C@]1(F)CCNC1 ZINC000157739579 385272868 /nfs/dbraw/zinc/27/28/68/385272868.db2.gz GDZZZAFNLWQIGW-PWSUYJOCSA-N 0 3 246.326 0.601 20 0 BCADHN Cn1cc([C@H](CO)NCCC(C)(C)O)cn1 ZINC000330364088 385272934 /nfs/dbraw/zinc/27/29/34/385272934.db2.gz DRCRNKOKXAEEMV-JTQLQIEISA-N 0 3 227.308 0.204 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H]1C[C@@H]1C ZINC000052289902 385275906 /nfs/dbraw/zinc/27/59/06/385275906.db2.gz XWZNZQKXKXFXMX-FXQIFTODSA-N 0 3 202.323 0.591 20 0 BCADHN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)CCN)C1 ZINC000247007077 385276473 /nfs/dbraw/zinc/27/64/73/385276473.db2.gz ZAOSLYWIVPZTMV-LYGAQUJYSA-N 0 3 246.376 0.531 20 0 BCADHN Cc1ccc([O-])c(CN(C)C[C@@H](C)O)n1 ZINC000130756360 385282434 /nfs/dbraw/zinc/28/24/34/385282434.db2.gz UNXGUEMXIPTLDL-SECBINFHSA-N 0 3 210.277 0.908 20 0 BCADHN Cc1ccc(O)c(CN(C)C[C@@H](C)O)n1 ZINC000130756360 385282439 /nfs/dbraw/zinc/28/24/39/385282439.db2.gz UNXGUEMXIPTLDL-SECBINFHSA-N 0 3 210.277 0.908 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+](C)C[C@@H](C)O)n1 ZINC000130756360 385282444 /nfs/dbraw/zinc/28/24/44/385282444.db2.gz UNXGUEMXIPTLDL-SECBINFHSA-N 0 3 210.277 0.908 20 0 BCADHN Cc1ccc([O-])c(C[N@H+](C)C[C@@H](C)O)n1 ZINC000130756360 385282447 /nfs/dbraw/zinc/28/24/47/385282447.db2.gz UNXGUEMXIPTLDL-SECBINFHSA-N 0 3 210.277 0.908 20 0 BCADHN Cc1ccc(O)c(CN2CCN(C)CC2)n1 ZINC000154405018 385323249 /nfs/dbraw/zinc/32/32/49/385323249.db2.gz XTLOEHVBFUIUFN-UHFFFAOYSA-N 0 3 221.304 0.843 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCOC[C@@H]1C ZINC000558021890 385287228 /nfs/dbraw/zinc/28/72/28/385287228.db2.gz AHSIFVGBLQAERY-GARJFASQSA-N 0 3 228.336 0.725 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCOC[C@@H]1C ZINC000558021887 385287647 /nfs/dbraw/zinc/28/76/47/385287647.db2.gz AHSIFVGBLQAERY-DCAQKATOSA-N 0 3 228.336 0.725 20 0 BCADHN CO[C@](C)(C(=O)N[C@@H](C)CN(C)C)C1CC1 ZINC000360614105 385291582 /nfs/dbraw/zinc/29/15/82/385291582.db2.gz WMEXOHNZMMLXEM-CABZTGNLSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H](CCNC(=O)/C=C\CN(C)C)[S@@](C)=O ZINC000492170455 385292394 /nfs/dbraw/zinc/29/23/94/385292394.db2.gz OZNYOIXIJWHYFB-YNCMLFPESA-N 0 3 246.376 0.378 20 0 BCADHN CC(C)[C@](C)(NCCc1cnccn1)C(N)=O ZINC000402798284 385293586 /nfs/dbraw/zinc/29/35/86/385293586.db2.gz VZDRIWBKLDYSQM-LBPRGKRZSA-N 0 3 236.319 0.509 20 0 BCADHN COC[C@@H](CCO)N[C@H](C)COC(C)C ZINC000308923595 385294226 /nfs/dbraw/zinc/29/42/26/385294226.db2.gz HQIIKRYRKOHKAP-GHMZBOCLSA-N 0 3 219.325 0.787 20 0 BCADHN Cn1cncc1CN[C@H]1C[C@@H](O)C1(C)C ZINC000168166815 385297940 /nfs/dbraw/zinc/29/79/40/385297940.db2.gz CQUCUGAOVMUWEZ-VHSXEESVSA-N 0 3 209.293 0.669 20 0 BCADHN Cc1noc(C)c1CNC[C@]1(O)CCO[C@H]1C ZINC000227972067 385300490 /nfs/dbraw/zinc/30/04/90/385300490.db2.gz YKBLMTVSKVSWIC-CMPLNLGQSA-N 0 3 240.303 0.921 20 0 BCADHN CNC(=O)C[C@@H](C)NCc1cnn(C)c1 ZINC000308931963 385301158 /nfs/dbraw/zinc/30/11/58/385301158.db2.gz JRWIXQZCRDCJGK-MRVPVSSYSA-N 0 3 210.281 0.034 20 0 BCADHN COC[C@@H](O)CN1CCC(C(F)F)CC1 ZINC000307857476 385301831 /nfs/dbraw/zinc/30/18/31/385301831.db2.gz PDTYSSFPPYCNTO-VIFPVBQESA-N 0 3 223.263 0.971 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1CCN(c2cccnc2)C1 ZINC000364262079 385302061 /nfs/dbraw/zinc/30/20/61/385302061.db2.gz WDBFUNYXSAZXRE-VHSXEESVSA-N 0 3 234.303 0.124 20 0 BCADHN CCS(=O)(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000364288570 385329983 /nfs/dbraw/zinc/32/99/83/385329983.db2.gz FOLXCJZUPLVBOL-VHSXEESVSA-N 0 3 232.349 0.362 20 0 BCADHN C[C@@H](CO)[C@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000497725863 385332563 /nfs/dbraw/zinc/33/25/63/385332563.db2.gz PQGSUXPMDNJNFG-GUBZILKMSA-N 0 3 231.340 0.253 20 0 BCADHN Cn1cncc1CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000644733248 385337226 /nfs/dbraw/zinc/33/72/26/385337226.db2.gz NILLQEHJYDYLES-JQWIXIFHSA-N 0 3 220.320 0.556 20 0 BCADHN C[C@@H](N)C(=O)NCc1cccc(-n2cncn2)c1 ZINC000178121025 385337258 /nfs/dbraw/zinc/33/72/58/385337258.db2.gz IXDQDQILRCSQCB-SECBINFHSA-N 0 3 245.286 0.231 20 0 BCADHN COC(=O)c1cncc(N[C@H](C)CN(C)C)n1 ZINC000158073312 385338435 /nfs/dbraw/zinc/33/84/35/385338435.db2.gz XOKIYYJBRGAEGP-MRVPVSSYSA-N 0 3 238.291 0.625 20 0 BCADHN CN(CCNC(=O)N[C@H]1CC12CC2)C1CC1 ZINC000425466164 385341537 /nfs/dbraw/zinc/34/15/37/385341537.db2.gz BOFCXDNHSUMDMA-JTQLQIEISA-N 0 3 223.320 0.932 20 0 BCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)CO ZINC000407996150 385343156 /nfs/dbraw/zinc/34/31/56/385343156.db2.gz OQPAKBKQCGDXDS-VHSXEESVSA-N 0 3 214.309 0.215 20 0 BCADHN CCN(C)CCNC(=O)c1cn(C)cn1 ZINC000178240457 385348436 /nfs/dbraw/zinc/34/84/36/385348436.db2.gz FIYWJHHWAHWONI-UHFFFAOYSA-N 0 3 210.281 0.102 20 0 BCADHN Cc1nc(CN2CC[C@H]3CN(C)C[C@@H]32)no1 ZINC000644733453 385350665 /nfs/dbraw/zinc/35/06/65/385350665.db2.gz JCBGZPLRTNGPGX-UWVGGRQHSA-N 0 3 222.292 0.514 20 0 BCADHN C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccnn1C ZINC000192251860 385350804 /nfs/dbraw/zinc/35/08/04/385350804.db2.gz ZUXVARMEYDNEHQ-VHSXEESVSA-N 0 3 236.319 0.692 20 0 BCADHN Cc1nnc(CN2CC[C@H]3CN(C)C[C@H]32)s1 ZINC000644734419 385353632 /nfs/dbraw/zinc/35/36/32/385353632.db2.gz NJEFQSZCZCEHHA-VHSXEESVSA-N 0 3 238.360 0.982 20 0 BCADHN Cn1ccc(CN2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000644734069 385353907 /nfs/dbraw/zinc/35/39/07/385353907.db2.gz QZLLGXRPLMEDOE-JQWIXIFHSA-N 0 3 220.320 0.556 20 0 BCADHN CN1C[C@H]2CCN(CC(=O)NC(C)(C)C)[C@H]2C1 ZINC000644734221 385353984 /nfs/dbraw/zinc/35/39/84/385353984.db2.gz MWFSSYSLIFCPJP-MNOVXSKESA-N 0 3 239.363 0.537 20 0 BCADHN CN1C[C@H]2CCN(CC(=O)N3CCCC3)[C@@H]2C1 ZINC000644734110 385354527 /nfs/dbraw/zinc/35/45/27/385354527.db2.gz ZXBAXLMBCLFNHC-VXGBXAGGSA-N 0 3 237.347 0.245 20 0 BCADHN Cc1c(CN2CC[C@H]3CN(C)C[C@H]32)cnn1C ZINC000644733714 385354789 /nfs/dbraw/zinc/35/47/89/385354789.db2.gz LSTPCIRWICBHPF-WCQYABFASA-N 0 3 234.347 0.864 20 0 BCADHN CN1C[C@H]2CCN(Cc3c[nH]cn3)[C@H]2C1 ZINC000644733728 385355142 /nfs/dbraw/zinc/35/51/42/385355142.db2.gz LHLXMPGXAYPOBS-KOLCDFICSA-N 0 3 206.293 0.546 20 0 BCADHN O=C(NC1CCOCC1)[C@@H]1CNCCC1(F)F ZINC000643986428 385355208 /nfs/dbraw/zinc/35/52/08/385355208.db2.gz HVGWTYNVVGFHBS-VIFPVBQESA-N 0 3 248.273 0.526 20 0 BCADHN CC[C@@H](C)CN(C)[C@H](C)C(=O)NC(=O)NC ZINC000247598475 385360540 /nfs/dbraw/zinc/36/05/40/385360540.db2.gz OTIYSBHRMATZQZ-RKDXNWHRSA-N 0 3 229.324 0.808 20 0 BCADHN CC(C)CCN1CC[C@H](S(N)(=O)=O)C1 ZINC000408001773 385360940 /nfs/dbraw/zinc/36/09/40/385360940.db2.gz AFYMONGMVWOLMW-VIFPVBQESA-N 0 3 220.338 0.395 20 0 BCADHN CN(C)CCN(CC1CCCCC1)C(=O)CN ZINC000076624080 385361484 /nfs/dbraw/zinc/36/14/84/385361484.db2.gz MMBLYCSHANGCCD-UHFFFAOYSA-N 0 3 241.379 0.916 20 0 BCADHN CN(C(=O)[C@H]1CNCCC1(F)F)[C@H]1CCOC1 ZINC000643993179 385361892 /nfs/dbraw/zinc/36/18/92/385361892.db2.gz WNUMNZLUFRIGTQ-DTWKUNHWSA-N 0 3 248.273 0.479 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000192593691 385363793 /nfs/dbraw/zinc/36/37/93/385363793.db2.gz ZKYWOSGBUIMCSN-AVGNSLFASA-N 0 3 248.326 0.888 20 0 BCADHN CC[C@@H](C)CN(C)[C@H](C)C(=O)NC(N)=O ZINC000247673934 385365628 /nfs/dbraw/zinc/36/56/28/385365628.db2.gz QOGPRTKWTPMLLM-HTQZYQBOSA-N 0 3 215.297 0.548 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NC[C@H]1CCCOC1 ZINC000644005795 385369544 /nfs/dbraw/zinc/36/95/44/385369544.db2.gz DTLYIKJTJAFTSN-ZJUUUORDSA-N 0 3 226.320 0.527 20 0 BCADHN COCCOCCSCCN(C)C ZINC000179169550 385370973 /nfs/dbraw/zinc/37/09/73/385370973.db2.gz RAWUEZAWOCCWMI-UHFFFAOYSA-N 0 3 207.339 0.944 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1CCOC1)N(C)C1CC1 ZINC000179254241 385373294 /nfs/dbraw/zinc/37/32/94/385373294.db2.gz IRXDHCACQDWSPS-VHSXEESVSA-N 0 3 241.335 0.557 20 0 BCADHN COCC[C@@](C)(O)CN[C@H](C)c1ccnn1C ZINC000192871489 385374149 /nfs/dbraw/zinc/37/41/49/385374149.db2.gz QPBHADGTQULBHB-ZYHUDNBSSA-N 0 3 241.335 0.858 20 0 BCADHN O=C1OCC[C@@H]2CCN(C[C@H]3CCOC3)[C@@H]12 ZINC000364347739 385377098 /nfs/dbraw/zinc/37/70/98/385377098.db2.gz PCPYFHUCUDGTGQ-OUAUKWLOSA-N 0 3 225.288 0.660 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CN(C)C[C@H]1C ZINC000309040653 385377226 /nfs/dbraw/zinc/37/72/26/385377226.db2.gz LBECLYURHKGURI-NXEZZACHSA-N 0 3 213.325 0.004 20 0 BCADHN C[C@@H](O)CN(C)CCc1nccs1 ZINC000192999507 385380522 /nfs/dbraw/zinc/38/05/22/385380522.db2.gz IRIJZDMOGKBHHD-MRVPVSSYSA-N 0 3 200.307 0.998 20 0 BCADHN CN(Cc1cccn1C)CC1(O)CCOCC1 ZINC000178487510 385380651 /nfs/dbraw/zinc/38/06/51/385380651.db2.gz RMQQHVHPQJJURU-UHFFFAOYSA-N 0 3 238.331 0.998 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@H](O)COCC(C)C ZINC000516648727 385381961 /nfs/dbraw/zinc/38/19/61/385381961.db2.gz MLWAFTCAGCXWKO-QJPTWQEYSA-N 0 3 247.335 0.023 20 0 BCADHN COCCN(C)C(=O)[C@H]1CNCCC1(F)F ZINC000644019095 385382805 /nfs/dbraw/zinc/38/28/05/385382805.db2.gz DPHSVJXBQQMARG-MRVPVSSYSA-N 0 3 236.262 0.336 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)CCn1cccn1 ZINC000168802918 385388096 /nfs/dbraw/zinc/38/80/96/385388096.db2.gz SXAYYTOVYSMLAM-SNVBAGLBSA-N 0 3 224.308 0.325 20 0 BCADHN CCN(C)CCNC(=O)c1ccnnc1 ZINC000155348246 385388353 /nfs/dbraw/zinc/38/83/53/385388353.db2.gz ULIBPADAWWHYDU-UHFFFAOYSA-N 0 3 208.265 0.158 20 0 BCADHN Cn1nccc1CC(=O)N1CCNCC1(C)C ZINC000644075136 385423837 /nfs/dbraw/zinc/42/38/37/385423837.db2.gz VJNGGAPQTNWQOJ-UHFFFAOYSA-N 0 3 236.319 0.173 20 0 BCADHN COCCOCCC(=O)N1CCNCC1(C)C ZINC000644075234 385424777 /nfs/dbraw/zinc/42/47/77/385424777.db2.gz ZCZOBQQJOFVCTJ-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN O=C([C@H]1CNCCC1(F)F)N1CCCOCC1 ZINC000644048260 385395387 /nfs/dbraw/zinc/39/53/87/385395387.db2.gz AXHVKEYPAPFYDH-SECBINFHSA-N 0 3 248.273 0.480 20 0 BCADHN CS(=O)(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000309059784 385396042 /nfs/dbraw/zinc/39/60/42/385396042.db2.gz PUZXGJINBLIPBQ-LLVKDONJSA-N 0 3 246.376 0.896 20 0 BCADHN Cc1cc(CC(=O)N2CCNCC2(C)C)no1 ZINC000644075657 385425265 /nfs/dbraw/zinc/42/52/65/385425265.db2.gz FCOWYBKZYDBIEE-UHFFFAOYSA-N 0 3 237.303 0.736 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@H]2NCC2(C)C)n1 ZINC000644043822 385397134 /nfs/dbraw/zinc/39/71/34/385397134.db2.gz SOXHKPUSPKPBLM-HTRCEHHLSA-N 0 3 238.291 0.553 20 0 BCADHN CN(CC(F)F)C(=O)[C@H]1CNCCC1(F)F ZINC000644048094 385397769 /nfs/dbraw/zinc/39/77/69/385397769.db2.gz VZVLIFJEMFYGJR-ZCFIWIBFSA-N 0 3 242.216 0.955 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)N)C(=O)NCc1ccccc1 ZINC000155612875 385399099 /nfs/dbraw/zinc/39/90/99/385399099.db2.gz YPOXGWBDGXWXEO-VHSXEESVSA-N 0 3 249.314 0.155 20 0 BCADHN CN1CCOc2ccc(NC(=O)C3(N)CC3)cc21 ZINC000169048590 385402151 /nfs/dbraw/zinc/40/21/51/385402151.db2.gz AZKMOCQZYVGNQK-UHFFFAOYSA-N 0 3 247.298 0.945 20 0 BCADHN CCn1cc(NC(=O)[C@H]2NCC2(C)C)ccc1=O ZINC000644050523 385402683 /nfs/dbraw/zinc/40/26/83/385402683.db2.gz WIBJWAHUJQKMLQ-LLVKDONJSA-N 0 3 249.314 0.805 20 0 BCADHN Cc1nnsc1CN[C@H]1CN(C)C[C@H]1C ZINC000309107020 385425570 /nfs/dbraw/zinc/42/55/70/385425570.db2.gz IHRKHHNVHLNJAX-APPZFPTMSA-N 0 3 226.349 0.886 20 0 BCADHN CCNC(=O)NC(=O)CN1CCC[C@H]1CC ZINC000408013997 385404184 /nfs/dbraw/zinc/40/41/84/385404184.db2.gz ICFMNDMWFKNSKI-SECBINFHSA-N 0 3 227.308 0.707 20 0 BCADHN CCOCCN(CC)C(=O)[C@H]1NCC1(C)C ZINC000644053772 385404993 /nfs/dbraw/zinc/40/49/93/385404993.db2.gz CGIDOYNBNSODMR-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](C1CC1)N(C)C(=O)CCOC1CNC1 ZINC000644056215 385405764 /nfs/dbraw/zinc/40/57/64/385405764.db2.gz YREZMNCYHLWOLG-SECBINFHSA-N 0 3 226.320 0.622 20 0 BCADHN CN(CCOCC1CC1)C(=O)[C@@H]1NCC1(C)C ZINC000644054743 385406036 /nfs/dbraw/zinc/40/60/36/385406036.db2.gz VBQWTBVYCXODGB-NSHDSACASA-N 0 3 240.347 0.869 20 0 BCADHN CC1(C)CN[C@H]1C(=O)Nc1cccc(C(N)=O)c1 ZINC000644057165 385408090 /nfs/dbraw/zinc/40/80/90/385408090.db2.gz PTTMOKYIOPMBEA-JTQLQIEISA-N 0 3 247.298 0.722 20 0 BCADHN COC[C@@](C)(CCO)NC[C@H](O)C(F)(F)F ZINC000181739657 385413133 /nfs/dbraw/zinc/41/31/33/385413133.db2.gz STROIUMXXSBBOR-JGVFFNPUSA-N 0 3 245.241 0.287 20 0 BCADHN CN(C)CC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000364398529 385414755 /nfs/dbraw/zinc/41/47/55/385414755.db2.gz DMYUJBZXJRRLTE-SECBINFHSA-N 0 3 237.307 0.420 20 0 BCADHN CC(C)[C@@H](C)N(C)C(=O)C(C)S(C)(=O)=O ZINC000408021806 385420554 /nfs/dbraw/zinc/42/05/54/385420554.db2.gz OSYAVNHPWDWKLM-BDAKNGLRSA-N 0 3 235.349 0.922 20 0 BCADHN CN1CCC[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000590104037 385423439 /nfs/dbraw/zinc/42/34/39/385423439.db2.gz GJUXRMSQXSDQJB-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H](NCCNS(C)(=O)=O)c1cccs1 ZINC000020203175 385438969 /nfs/dbraw/zinc/43/89/69/385438969.db2.gz NMKOCMPQJBJYQT-QMMMGPOBSA-N 0 3 248.373 0.948 20 0 BCADHN COC[C@H](O)CN1CCC[C@@H](OCC2CC2)C1 ZINC000364435171 385439007 /nfs/dbraw/zinc/43/90/07/385439007.db2.gz QOPCIIIQJCXGGG-CHWSQXEVSA-N 0 3 243.347 0.885 20 0 BCADHN CO[C@H](C)CNC1(C(N)=O)CCCCC1 ZINC000182347241 385440486 /nfs/dbraw/zinc/44/04/86/385440486.db2.gz POAIQDWMCLCEBB-SECBINFHSA-N 0 3 214.309 0.799 20 0 BCADHN CO[C@H](CN(C)CCOCCO)C1CC1 ZINC000400271284 385443093 /nfs/dbraw/zinc/44/30/93/385443093.db2.gz MRSRKNRBLPQWRZ-LLVKDONJSA-N 0 3 217.309 0.352 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1csc(=O)[nH]1 ZINC000182515256 385453153 /nfs/dbraw/zinc/45/31/53/385453153.db2.gz LANUXOWLGJBCTM-ZETCQYMHSA-N 0 3 229.305 0.036 20 0 BCADHN C[C@H](O)CN1CCC(N2CCCCC2=O)CC1 ZINC000194950505 385453182 /nfs/dbraw/zinc/45/31/82/385453182.db2.gz ILWRCRDPNVWRPA-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@H](C)N(C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000170915561 385456627 /nfs/dbraw/zinc/45/66/27/385456627.db2.gz NQLGKVRJPPJVPQ-UWVGGRQHSA-N 0 3 243.351 0.310 20 0 BCADHN CC[C@@H](COC)N[C@@H](C)C(=O)NCCF ZINC000309191333 385456662 /nfs/dbraw/zinc/45/66/62/385456662.db2.gz PSJKULJRPWNJQD-IUCAKERBSA-N 0 3 220.288 0.475 20 0 BCADHN Cc1nnc(CN[C@H](C)[C@@H]2CCOC2)[nH]1 ZINC000309121572 385427742 /nfs/dbraw/zinc/42/77/42/385427742.db2.gz OBNQOBWTZGESPH-VXNVDRBHSA-N 0 3 210.281 0.628 20 0 BCADHN Cc1n[nH]cc1CN1CCC(C(N)=O)CC1 ZINC000408061443 385428878 /nfs/dbraw/zinc/42/88/78/385428878.db2.gz JZENNEOMIGCRFU-UHFFFAOYSA-N 0 3 222.292 0.415 20 0 BCADHN CO[C@H](C)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000182218334 385434514 /nfs/dbraw/zinc/43/45/14/385434514.db2.gz IKHPRMFJPDSGDP-CHWSQXEVSA-N 0 3 242.363 0.675 20 0 BCADHN CC[C@H](N[C@@H](C)C(N)=O)[C@H]1CCCO1 ZINC000182265505 385435625 /nfs/dbraw/zinc/43/56/25/385435625.db2.gz RZWNUJUGUWWGNV-XHNCKOQMSA-N 0 3 200.282 0.407 20 0 BCADHN CO[C@H](C)CN[C@H](C(N)=O)C(C)(C)C ZINC000182333462 385437190 /nfs/dbraw/zinc/43/71/90/385437190.db2.gz CGIUZVQEWFHPIL-HTQZYQBOSA-N 0 3 202.298 0.511 20 0 BCADHN CO[C@@H](C)CN[C@@H](C(N)=O)C(C)(C)C ZINC000182333408 385437305 /nfs/dbraw/zinc/43/73/05/385437305.db2.gz CGIUZVQEWFHPIL-YUMQZZPRSA-N 0 3 202.298 0.511 20 0 BCADHN CO[C@@H](C)CN[C@H](C(N)=O)C(C)(C)C ZINC000182333443 385437831 /nfs/dbraw/zinc/43/78/31/385437831.db2.gz CGIUZVQEWFHPIL-JGVFFNPUSA-N 0 3 202.298 0.511 20 0 BCADHN CCC[C@@H](O)CN[C@H](C)CS(=O)(=O)CC ZINC000162257724 385477654 /nfs/dbraw/zinc/47/76/54/385477654.db2.gz OVSCYUFDYASNDQ-NXEZZACHSA-N 0 3 237.365 0.560 20 0 BCADHN CN(C)C/C=C/C(=O)N1C[C@H](F)C[C@H]1CO ZINC000364592500 385478688 /nfs/dbraw/zinc/47/86/88/385478688.db2.gz RNPWSKVMBYIYRP-OKWQPMOJSA-N 0 3 230.283 0.036 20 0 BCADHN COC[C@@H](NC(=O)[C@@H]1NCC1(C)C)C1CC1 ZINC000644105234 385480451 /nfs/dbraw/zinc/48/04/51/385480451.db2.gz ALHAVIVKNPIHMC-ZJUUUORDSA-N 0 3 226.320 0.526 20 0 BCADHN C[C@@H]1OCCN(C(=O)[C@@H]2NCC2(C)C)[C@H]1C ZINC000644105276 385481925 /nfs/dbraw/zinc/48/19/25/385481925.db2.gz HPMRPJYLALRVDG-GUBZILKMSA-N 0 3 226.320 0.620 20 0 BCADHN Cn1ccc(CNCCCn2cccn2)n1 ZINC000157053929 385482675 /nfs/dbraw/zinc/48/26/75/385482675.db2.gz NGNIVCXRCLGHKV-UHFFFAOYSA-N 0 3 219.292 0.797 20 0 BCADHN Cn1cncc1CNCCCn1cccn1 ZINC000157053637 385483591 /nfs/dbraw/zinc/48/35/91/385483591.db2.gz UOZIBBMMOJVDAO-UHFFFAOYSA-N 0 3 219.292 0.797 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@H]21)[C@H](C)O ZINC000642978002 385483828 /nfs/dbraw/zinc/48/38/28/385483828.db2.gz ROCWAFJTZMQMSZ-WHOHXGKFSA-N 0 3 240.347 0.556 20 0 BCADHN CCCCNC(=O)CN1CCC[C@H](N(C)C)C1 ZINC000109807313 385488750 /nfs/dbraw/zinc/48/87/50/385488750.db2.gz HGHILUBZOCVHMX-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN C[C@@H](CNC(=O)c1cn(C)cn1)N(C)C1CC1 ZINC000179318119 385459788 /nfs/dbraw/zinc/45/97/88/385459788.db2.gz QDTXENQIHFANAS-VIFPVBQESA-N 0 3 236.319 0.633 20 0 BCADHN CO[C@H](CNCc1cnnn1C)C1CC1 ZINC000378672933 385461058 /nfs/dbraw/zinc/46/10/58/385461058.db2.gz LVAGAGJRJOFYNR-SNVBAGLBSA-N 0 3 210.281 0.330 20 0 BCADHN C[C@H](N)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000195149149 385461871 /nfs/dbraw/zinc/46/18/71/385461871.db2.gz MRXDYFSZLDFKBM-JTQLQIEISA-N 0 3 248.330 0.645 20 0 BCADHN c1ncc(CN2CCC(C3OCCO3)CC2)[nH]1 ZINC000179359937 385462867 /nfs/dbraw/zinc/46/28/67/385462867.db2.gz QVHIUEGETFVCTK-UHFFFAOYSA-N 0 3 237.303 0.995 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@H](C)COC ZINC000121041156 385463565 /nfs/dbraw/zinc/46/35/65/385463565.db2.gz CVNUQMWIBWKOQJ-UWVGGRQHSA-N 0 3 237.365 0.682 20 0 BCADHN CCN(C)C(=O)[C@H](C)NCc1[nH]ncc1C 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385512776 /nfs/dbraw/zinc/51/27/76/385512776.db2.gz AQNFQDHELYMYHU-WCBMZHEXSA-N 0 3 221.260 0.451 20 0 BCADHN CC(C)(C)[C@@H]1CCN(CCO)C[C@H]1O ZINC000334191101 385517321 /nfs/dbraw/zinc/51/73/21/385517321.db2.gz JNZDYXMFEUDENZ-NXEZZACHSA-N 0 3 201.310 0.708 20 0 BCADHN C[C@@H](O)CN(C)Cc1ccc(N(C)C)nc1 ZINC000643356129 385529857 /nfs/dbraw/zinc/52/98/57/385529857.db2.gz ZHYUIIWZOXOMMT-SNVBAGLBSA-N 0 3 223.320 0.960 20 0 BCADHN Cc1nccc(C(=O)NC[C@@H]2CCCN2C)n1 ZINC000194693070 385530470 /nfs/dbraw/zinc/53/04/70/385530470.db2.gz TYMAWVATBVFDJD-JTQLQIEISA-N 0 3 234.303 0.609 20 0 BCADHN CCOC[C@@H](O)CN[C@H](C)c1cnn(C)c1C ZINC000180614737 385533280 /nfs/dbraw/zinc/53/32/80/385533280.db2.gz HSYMNGDZZSHSMP-KOLCDFICSA-N 0 3 241.335 0.777 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCOC2)C1 ZINC000644812934 385537030 /nfs/dbraw/zinc/53/70/30/385537030.db2.gz FRLXVHKBDCZSRT-AXFHLTTASA-N 0 3 224.304 0.185 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000157979710 385541846 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0 BCADHN Cc1cnn(C)c1CNCC1(O)CCC1 ZINC000336734830 385683471 /nfs/dbraw/zinc/68/34/71/385683471.db2.gz NODOOIHQFAXXCO-UHFFFAOYSA-N 0 3 209.293 0.733 20 0 BCADHN O=C(CN[C@@H](CO)C1CCCC1)NC1CC1 ZINC000309552197 385684342 /nfs/dbraw/zinc/68/43/42/385684342.db2.gz GFODJHDFRNAHRT-NSHDSACASA-N 0 3 226.320 0.406 20 0 BCADHN CCN(CC)CC(=O)N1CC(C(C)(C)O)C1 ZINC000337583589 385717509 /nfs/dbraw/zinc/71/75/09/385717509.db2.gz CWDZIWKUPOLHDB-UHFFFAOYSA-N 0 3 228.336 0.558 20 0 BCADHN CN(CCNC(=O)N1CC[C@@H](CO)C1)C1CC1 ZINC000331524664 385689641 /nfs/dbraw/zinc/68/96/41/385689641.db2.gz VBNMTEQWFILSAA-SNVBAGLBSA-N 0 3 241.335 0.104 20 0 BCADHN CC[C@@H](C)[C@@H](OC)C(=O)NCCN(C)C ZINC000353344069 385694741 /nfs/dbraw/zinc/69/47/41/385694741.db2.gz LCEIENMPCMKOSL-NXEZZACHSA-N 0 3 216.325 0.725 20 0 BCADHN Cn1nccc1CNCc1ncccc1O ZINC000309571546 385701112 /nfs/dbraw/zinc/70/11/12/385701112.db2.gz NAGWHRJWEDBPDE-UHFFFAOYSA-N 0 3 218.260 0.811 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](CO)CC1CCC1 ZINC000337545931 385704936 /nfs/dbraw/zinc/70/49/36/385704936.db2.gz CUPLQPOFTGWUOG-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1csc(=O)n1CCN(C)CCCO ZINC000281838490 385707736 /nfs/dbraw/zinc/70/77/36/385707736.db2.gz MTMBAMKONPZURA-UHFFFAOYSA-N 0 3 230.333 0.532 20 0 BCADHN CC(C)CCNC(=O)[C@H](C)N1CCNCC1 ZINC000019977201 385707846 /nfs/dbraw/zinc/70/78/46/385707846.db2.gz KKPLFAQRLPJYDK-NSHDSACASA-N 0 3 227.352 0.442 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H](O)C(C)(C)C1 ZINC000337573380 385708101 /nfs/dbraw/zinc/70/81/01/385708101.db2.gz UPOQCWCUPABZMT-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC[C@](C)(O)C1 ZINC000408457710 385708827 /nfs/dbraw/zinc/70/88/27/385708827.db2.gz QDIOZQOQHXRHDK-WDEREUQCSA-N 0 3 215.293 0.173 20 0 BCADHN CN(C)CC1(NC(=O)c2ccnnc2)CCC1 ZINC000281868921 385709275 /nfs/dbraw/zinc/70/92/75/385709275.db2.gz ZHHXKLFFBAFJCA-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN O=C(CNC1CCC(O)CC1)NCC1CC1 ZINC000309575689 385709946 /nfs/dbraw/zinc/70/99/46/385709946.db2.gz OSURMEDNMBWISH-UHFFFAOYSA-N 0 3 226.320 0.406 20 0 BCADHN CCN(CCn1ccnc1C)[C@@H]1CCNC1=O ZINC000281863126 385710080 /nfs/dbraw/zinc/71/00/80/385710080.db2.gz APVLYKYKZHSQQO-LLVKDONJSA-N 0 3 236.319 0.402 20 0 BCADHN CCN(CCOCCO)C(=O)CN(C)C(C)C ZINC000337564733 385710412 /nfs/dbraw/zinc/71/04/12/385710412.db2.gz ASJYNLKPSVZZCX-UHFFFAOYSA-N 0 3 246.351 0.184 20 0 BCADHN CCCCN(CC)C(=O)COC1CNC1 ZINC000336689114 385714598 /nfs/dbraw/zinc/71/45/98/385714598.db2.gz VMJVXDBUKHURAC-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](CO)CC(F)F ZINC000337580700 385715780 /nfs/dbraw/zinc/71/57/80/385715780.db2.gz ZYVFUSKQUWLYNY-MRVPVSSYSA-N 0 3 238.278 0.461 20 0 BCADHN COC(=O)CC1(CN(C)CCOCCO)CC1 ZINC000337454292 385666757 /nfs/dbraw/zinc/66/67/57/385666757.db2.gz ORNDLTHOWQKBJS-UHFFFAOYSA-N 0 3 245.319 0.270 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@H](C)[C@@H]1CO ZINC000337459775 385668530 /nfs/dbraw/zinc/66/85/30/385668530.db2.gz LMHJEDYKRQMRDC-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](CCO)NC(=O)C1CCN(C)CC1 ZINC000340011366 385668938 /nfs/dbraw/zinc/66/89/38/385668938.db2.gz VMUULEFKFREGMA-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)COCCN(CCO)C[C@H](C)O ZINC000336684096 385669344 /nfs/dbraw/zinc/66/93/44/385669344.db2.gz JZARHENZRVYHCE-NSHDSACASA-N 0 3 219.325 0.334 20 0 BCADHN CC[C@@H](C(=O)N(CC)CCOCCO)N(C)C ZINC000337615134 385727980 /nfs/dbraw/zinc/72/79/80/385727980.db2.gz KWBPWZIJIHVPMW-NSHDSACASA-N 0 3 246.351 0.184 20 0 BCADHN CO[C@H](C)CN(C)[C@@H](C)C[S@](C)=O ZINC000185410297 385728823 /nfs/dbraw/zinc/72/88/23/385728823.db2.gz DYQKQIZQQZLWIV-RWEMILLDSA-N 0 3 207.339 0.720 20 0 BCADHN CCNC(=O)NC(=O)CN1CC[C@H](C)[C@@H]1CC ZINC000185657098 385730159 /nfs/dbraw/zinc/73/01/59/385730159.db2.gz IGMHWXDRWOQTKU-UWVGGRQHSA-N 0 3 241.335 0.953 20 0 BCADHN CC(C)[C@@H]1C[C@H](NC2(C(N)=O)CC2)CCO1 ZINC000336692219 385735430 /nfs/dbraw/zinc/73/54/30/385735430.db2.gz XCPSLBIUKCUPLK-ZJUUUORDSA-N 0 3 226.320 0.798 20 0 BCADHN CN(CCC(=O)NC(N)=O)CCC(F)(F)F ZINC000337654670 385738351 /nfs/dbraw/zinc/73/83/51/385738351.db2.gz GZWILKFKBYHQNU-UHFFFAOYSA-N 0 3 241.213 0.456 20 0 BCADHN CS[C@@H](CO)[C@@H](C)NC(=O)/C=C/CN(C)C ZINC000270768643 385741588 /nfs/dbraw/zinc/74/15/88/385741588.db2.gz SSEUUCAQGIQESH-ROSGPLSXSA-N 0 3 246.376 0.333 20 0 BCADHN Cc1sccc1CNC[C@@H](O)CO ZINC000308204143 385744459 /nfs/dbraw/zinc/74/44/59/385744459.db2.gz RTGXHDGHFZYZOE-SECBINFHSA-N 0 3 201.291 0.499 20 0 BCADHN CNCC(=O)N1CCNc2ccccc21 ZINC000309617726 385747321 /nfs/dbraw/zinc/74/73/21/385747321.db2.gz FUODJUWMEBXTSD-UHFFFAOYSA-N 0 3 205.261 0.665 20 0 BCADHN CN(CCNC(=O)CN)Cc1ccccc1 ZINC000263282065 385747664 /nfs/dbraw/zinc/74/76/64/385747664.db2.gz SFBQIIBJCSVEGO-UHFFFAOYSA-N 0 3 221.304 0.193 20 0 BCADHN CN(CCC1(O)CCC1)[C@]1(CO)CCOC1 ZINC000408462755 385748658 /nfs/dbraw/zinc/74/86/58/385748658.db2.gz ANTCVEJFOXUMKD-NSHDSACASA-N 0 3 229.320 0.375 20 0 BCADHN CSC(C)(C)CNC(=O)[C@@]1(F)CCNC1 ZINC000309619766 385751271 /nfs/dbraw/zinc/75/12/71/385751271.db2.gz GRUGLASGQQVTTI-SNVBAGLBSA-N 0 3 234.340 0.946 20 0 BCADHN COCC[C@H](CO)NCc1cccc2nccn21 ZINC000282321714 385752405 /nfs/dbraw/zinc/75/24/05/385752405.db2.gz TVKGLSZXDOTTGR-LLVKDONJSA-N 0 3 249.314 0.821 20 0 BCADHN CO[C@H]1CCN(CCn2ccnc2C)C1 ZINC000270855938 385753355 /nfs/dbraw/zinc/75/33/55/385753355.db2.gz JACFGTGTNDMNIR-NSHDSACASA-N 0 3 209.293 0.912 20 0 BCADHN COC[C@@H](CO)NCCC(C)(C)C(=O)OC ZINC000336698746 385753782 /nfs/dbraw/zinc/75/37/82/385753782.db2.gz MWPXKCFHGXJJNU-SECBINFHSA-N 0 3 233.308 0.173 20 0 BCADHN CC[C@@H](O)CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000645263604 385755658 /nfs/dbraw/zinc/75/56/58/385755658.db2.gz QHMNCWFMUPFFQS-GXSJLCMTSA-N 0 3 243.351 0.539 20 0 BCADHN COC[C@@H](C)NCc1cnc(N(C)C)nc1 ZINC000309628571 385755859 /nfs/dbraw/zinc/75/58/59/385755859.db2.gz HDPLPMYRAVUQSN-SECBINFHSA-N 0 3 224.308 0.667 20 0 BCADHN O=C1NC[C@H](CN2CCC[C@]23CCOC3)O1 ZINC000367456378 385761066 /nfs/dbraw/zinc/76/10/66/385761066.db2.gz BPYLIVGXLBTZBW-MWLCHTKSSA-N 0 3 226.276 0.350 20 0 BCADHN C/C=C/C[C@H](CO)N[C@@H](C)CS(=O)(=O)CC ZINC000186496446 385761418 /nfs/dbraw/zinc/76/14/18/385761418.db2.gz RFBSAKHMQKRNOD-XDFYEUQUSA-N 0 3 249.376 0.726 20 0 BCADHN Cc1nnc(N2CCN(CC3CC3)CC2)n1C ZINC000337721840 385762911 /nfs/dbraw/zinc/76/29/11/385762911.db2.gz WLSSBKZGODKOHE-UHFFFAOYSA-N 0 3 235.335 0.656 20 0 BCADHN COC(=O)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC000230886105 385762963 /nfs/dbraw/zinc/76/29/63/385762963.db2.gz XLUVTALSQMMKGK-SNVBAGLBSA-N 0 3 237.303 0.458 20 0 BCADHN CSCCCCNC(=O)COC1CNC1 ZINC000309642082 385765183 /nfs/dbraw/zinc/76/51/83/385765183.db2.gz OYRJDFVLFMVOKU-UHFFFAOYSA-N 0 3 232.349 0.234 20 0 BCADHN CN(C)C(=O)CCN(C)Cc1cccnc1 ZINC000270986292 385766983 /nfs/dbraw/zinc/76/69/83/385766983.db2.gz HCHUVJPZFRXJKV-UHFFFAOYSA-N 0 3 221.304 0.992 20 0 BCADHN CC(C)OC1CC(N[C@@H](C)CS(C)(=O)=O)C1 ZINC000186557955 385768811 /nfs/dbraw/zinc/76/88/11/385768811.db2.gz RJWFMZIFMNSYHU-WHXUTIOJSA-N 0 3 249.376 0.965 20 0 BCADHN CCC[C@@H](O)CN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000495869792 385778617 /nfs/dbraw/zinc/77/86/17/385778617.db2.gz RITSBMTYDPPYLL-GHMZBOCLSA-N 0 3 244.335 0.920 20 0 BCADHN CC[C@@H](CO)NCc1ccnn1CCCOC ZINC000282696270 385780304 /nfs/dbraw/zinc/78/03/04/385780304.db2.gz PSJUUGKIDFRICG-NSHDSACASA-N 0 3 241.335 0.780 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@](C)(CC)C(=O)OC ZINC000336740032 385780962 /nfs/dbraw/zinc/78/09/62/385780962.db2.gz LWWYJYGWURQDCP-XCBNKYQSSA-N 0 3 216.281 0.182 20 0 BCADHN Cc1ncc(CNCCC(=O)N(C)C)cn1 ZINC000309667339 385783610 /nfs/dbraw/zinc/78/36/10/385783610.db2.gz USVDSSNMIHRIBL-UHFFFAOYSA-N 0 3 222.292 0.353 20 0 BCADHN Cn1ncnc1C(=O)NC[C@H](N)c1ccccc1 ZINC000623056820 385722130 /nfs/dbraw/zinc/72/21/30/385722130.db2.gz OJROZNKUNMGJSA-JTQLQIEISA-N 0 3 245.286 0.245 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1ccnnc1 ZINC000270605338 385723188 /nfs/dbraw/zinc/72/31/88/385723188.db2.gz XTCDPDXDVPKISQ-NSHDSACASA-N 0 3 234.303 0.643 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H]1CO ZINC000337591274 385723302 /nfs/dbraw/zinc/72/33/02/385723302.db2.gz IFYZGRAVSDOOMD-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)[C@@H](CO)CN[C@H]1CCCS(=O)(=O)C1 ZINC000309597616 385726018 /nfs/dbraw/zinc/72/60/18/385726018.db2.gz IZQIYTTWCSWEGZ-MNOVXSKESA-N 0 3 249.376 0.418 20 0 BCADHN C[C@H]1OCC[C@H]1NC(=O)/C=C/CN(C)C ZINC000271190704 385801373 /nfs/dbraw/zinc/80/13/73/385801373.db2.gz VXNASEYHDLYGEU-NUNSBDKSSA-N 0 3 212.293 0.398 20 0 BCADHN CSC[C@@H](CCO)NCc1c(C)cnn1C ZINC000336713100 385802071 /nfs/dbraw/zinc/80/20/71/385802071.db2.gz UBJQVJFGJPZFLU-SNVBAGLBSA-N 0 3 243.376 0.932 20 0 BCADHN CN1CC=C(CNC(=O)c2cnsn2)CC1 ZINC000271869837 385856526 /nfs/dbraw/zinc/85/65/26/385856526.db2.gz LJRQYLCZQTZPJZ-UHFFFAOYSA-N 0 3 238.316 0.530 20 0 BCADHN CCN(CCO)CCNC(=O)C1CC=CC1 ZINC000183918782 385803328 /nfs/dbraw/zinc/80/33/28/385803328.db2.gz NRXUDUGYUSNWHX-UHFFFAOYSA-N 0 3 226.320 0.383 20 0 BCADHN CC[C@H](OC)C(=O)NCC1=CCN(C)CC1 ZINC000271879406 385856648 /nfs/dbraw/zinc/85/66/48/385856648.db2.gz MUTDAAVIYJCIAK-NSHDSACASA-N 0 3 226.320 0.790 20 0 BCADHN CN(C)CCN(Cc1ccco1)C(=O)CO ZINC000283022718 385805314 /nfs/dbraw/zinc/80/53/14/385805314.db2.gz BAPDTRXTSUCGCX-UHFFFAOYSA-N 0 3 226.276 0.162 20 0 BCADHN CC[C@H](CCO)N[C@H](C)CS(=O)(=O)CC ZINC000162282095 385805946 /nfs/dbraw/zinc/80/59/46/385805946.db2.gz PYNHFXBVCVDKBQ-NXEZZACHSA-N 0 3 237.365 0.560 20 0 BCADHN C[C@H](O)CN(CCO)C[C@@H]1CC[C@@H](C)O1 ZINC000336714245 385808750 /nfs/dbraw/zinc/80/87/50/385808750.db2.gz WAOWXJPBOCDUDT-AXFHLTTASA-N 0 3 217.309 0.229 20 0 BCADHN CCN(CCNC(=O)C(=O)c1ccc[nH]1)C1CC1 ZINC000294134092 385812784 /nfs/dbraw/zinc/81/27/84/385812784.db2.gz FUPJALOYQXEIRJ-UHFFFAOYSA-N 0 3 249.314 0.798 20 0 BCADHN CCOC[C@@H](O)CNCc1ccn2ccnc2c1 ZINC000521426967 385813293 /nfs/dbraw/zinc/81/32/93/385813293.db2.gz WGFQKOYDFVSVRN-LBPRGKRZSA-N 0 3 249.314 0.821 20 0 BCADHN CSC[C@H](C)NC[C@@H](C)S(C)(=O)=O ZINC000521426435 385815518 /nfs/dbraw/zinc/81/55/18/385815518.db2.gz ALFCZNZCIDJQNX-JGVFFNPUSA-N 0 3 225.379 0.761 20 0 BCADHN CSC[C@H](C)NC[C@H](C)S(C)(=O)=O ZINC000521426437 385815870 /nfs/dbraw/zinc/81/58/70/385815870.db2.gz ALFCZNZCIDJQNX-YUMQZZPRSA-N 0 3 225.379 0.761 20 0 BCADHN COC[C@H](N[C@H]1CC(=O)N(C)C1)C1CC1 ZINC000336656982 385815970 /nfs/dbraw/zinc/81/59/70/385815970.db2.gz AOUJGRPHOQSEMH-UWVGGRQHSA-N 0 3 212.293 0.232 20 0 BCADHN CN(C)C[C@H]1CCCN1c1nccn2cnnc12 ZINC000271332861 385819166 /nfs/dbraw/zinc/81/91/66/385819166.db2.gz LTQORASSJANZCD-SNVBAGLBSA-N 0 3 246.318 0.655 20 0 BCADHN CC[C@H]1CN(Cc2cn(C)nc2C)C[C@@H]1O ZINC000271340936 385819534 /nfs/dbraw/zinc/81/95/34/385819534.db2.gz OITACEURGZWRTH-JQWIXIFHSA-N 0 3 223.320 0.931 20 0 BCADHN N[C@@H](C(=O)Nc1ccncc1)C1CCOCC1 ZINC000261621527 385826561 /nfs/dbraw/zinc/82/65/61/385826561.db2.gz CEZQSKYRVQTAGH-LLVKDONJSA-N 0 3 235.287 0.774 20 0 BCADHN Cc1cn[nH]c1CN1CCC[C@H](C(N)=O)C1 ZINC000283730362 385829800 /nfs/dbraw/zinc/82/98/00/385829800.db2.gz CDDUQAFNAIADHB-VIFPVBQESA-N 0 3 222.292 0.415 20 0 BCADHN CC(C)[C@H]1C(=O)NCCN1CC1CCOCC1 ZINC000112697649 385843346 /nfs/dbraw/zinc/84/33/46/385843346.db2.gz VJOUHPWBSGQHSC-LBPRGKRZSA-N 0 3 240.347 0.869 20 0 BCADHN CO[C@H]1C[C@@H](NCC(=O)N2CCC2)C1(C)C ZINC000451512718 385844469 /nfs/dbraw/zinc/84/44/69/385844469.db2.gz XUWRZUGGSWPTMA-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000262435601 385845828 /nfs/dbraw/zinc/84/58/28/385845828.db2.gz LGWAOOOBJNSEQR-JTQLQIEISA-N 0 3 235.287 0.139 20 0 BCADHN C[C@H](CN[C@H](C)c1cn[nH]c1)CS(C)(=O)=O ZINC000336741054 385846930 /nfs/dbraw/zinc/84/69/30/385846930.db2.gz MVXJDUUTLSMSLF-RKDXNWHRSA-N 0 3 245.348 0.741 20 0 BCADHN CN(C)C1CN(c2ncnc3[nH]ccc32)C1 ZINC000271741270 385848285 /nfs/dbraw/zinc/84/82/85/385848285.db2.gz QXADLLPQPPOZPH-UHFFFAOYSA-N 0 3 217.276 0.708 20 0 BCADHN CS[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1N(C)C ZINC000271791164 385851125 /nfs/dbraw/zinc/85/11/25/385851125.db2.gz AIDGNQIPCNEYPV-NXEZZACHSA-N 0 3 240.376 0.887 20 0 BCADHN CC[C@@H](C(=O)N1CCOC[C@@H]1C1CC1)N(C)C ZINC000413660006 385852113 /nfs/dbraw/zinc/85/21/13/385852113.db2.gz VDGNNYLKIABPFE-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@@H](C(=O)N1CCOC[C@H]1C1CC1)N(C)C ZINC000413660007 385853034 /nfs/dbraw/zinc/85/30/34/385853034.db2.gz VDGNNYLKIABPFE-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN Cc1n[nH]c(C)c1CNCCN1CCC1 ZINC000336740253 385790228 /nfs/dbraw/zinc/79/02/28/385790228.db2.gz UARJKRLLZRZNOR-UHFFFAOYSA-N 0 3 208.309 0.822 20 0 BCADHN COC(=O)C1=C(C)O[C@@H](CN(C)[C@@H](C)CO)C1 ZINC000282884128 385791787 /nfs/dbraw/zinc/79/17/87/385791787.db2.gz VNPZOUFFAKQULM-WCBMZHEXSA-N 0 3 243.303 0.535 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000336656834 385791908 /nfs/dbraw/zinc/79/19/08/385791908.db2.gz LSDFAASWGDUFJE-RNJXMRFFSA-N 0 3 234.246 0.359 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)c1ncon1 ZINC000271136785 385792453 /nfs/dbraw/zinc/79/24/53/385792453.db2.gz RJMSEBULBWYETO-MRVPVSSYSA-N 0 3 226.280 0.589 20 0 BCADHN Cn1nccc1CN[C@@H]1CCC(=O)NC12CCC2 ZINC000282871868 385792914 /nfs/dbraw/zinc/79/29/14/385792914.db2.gz RDLJYZGRIPZLRY-LLVKDONJSA-N 0 3 248.330 0.711 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1c[nH]ccc1=O ZINC000638075087 385794221 /nfs/dbraw/zinc/79/42/21/385794221.db2.gz QPNKBCSLCKJHJB-ZETCQYMHSA-N 0 3 209.249 0.311 20 0 BCADHN Cn1cc(CN2CCC[C@H]2CCO)cn1 ZINC000336710568 385796368 /nfs/dbraw/zinc/79/63/68/385796368.db2.gz TYTVAACMFMYSGJ-NSHDSACASA-N 0 3 209.293 0.767 20 0 BCADHN CC(C)CCCN1CC[C@@H](S(N)(=O)=O)C1 ZINC000408382220 385796744 /nfs/dbraw/zinc/79/67/44/385796744.db2.gz PZPCIVOOVCAVBJ-SNVBAGLBSA-N 0 3 234.365 0.785 20 0 BCADHN CCc1ccccc1CNC(CO)CO ZINC000083690881 385885514 /nfs/dbraw/zinc/88/55/14/385885514.db2.gz HPZFDHQICMKKBE-UHFFFAOYSA-N 0 3 209.289 0.692 20 0 BCADHN C[C@@H]1NCCN(C(=O)Cc2cnn(C)c2)[C@H]1C ZINC000262796326 385886646 /nfs/dbraw/zinc/88/66/46/385886646.db2.gz NOLRJIVYZBSIQC-UWVGGRQHSA-N 0 3 236.319 0.171 20 0 BCADHN COC[C@@H](O)CN[C@H](CCO)c1ccccc1 ZINC000272257853 385887776 /nfs/dbraw/zinc/88/77/76/385887776.db2.gz MHIWIXWASGZWCW-QWHCGFSZSA-N 0 3 239.315 0.707 20 0 BCADHN CCN(C)C(=O)NCCN(C)CCOC ZINC000122135863 385888071 /nfs/dbraw/zinc/88/80/71/385888071.db2.gz JIHWWJFNMARGOV-UHFFFAOYSA-N 0 3 217.313 0.226 20 0 BCADHN CCc1cccc(CN2CC[C@](O)(C(N)=O)C2)c1 ZINC000284894016 385889928 /nfs/dbraw/zinc/88/99/28/385889928.db2.gz GENCTGMREQZANE-CQSZACIVSA-N 0 3 248.326 0.671 20 0 BCADHN CC1(C)CNCCN1C(=O)CCc1ccncn1 ZINC000647841415 385890179 /nfs/dbraw/zinc/89/01/79/385890179.db2.gz RPRGMLKEGUYEPD-UHFFFAOYSA-N 0 3 248.330 0.620 20 0 BCADHN COC1([C@H](C)NC(=O)NCCN(C)C)CCC1 ZINC000413813892 385890275 /nfs/dbraw/zinc/89/02/75/385890275.db2.gz IICWMHMLULGCMS-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN CCc1cc(C(=O)N2CCNCC2(C)C)[nH]n1 ZINC000647840593 385890292 /nfs/dbraw/zinc/89/02/92/385890292.db2.gz JZYXNFSLMYFVDR-UHFFFAOYSA-N 0 3 236.319 0.796 20 0 BCADHN CCc1cc(C(=O)N2CCNCC2(C)C)n[nH]1 ZINC000647840593 385890295 /nfs/dbraw/zinc/89/02/95/385890295.db2.gz JZYXNFSLMYFVDR-UHFFFAOYSA-N 0 3 236.319 0.796 20 0 BCADHN COC(=O)CCCN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000123575521 385892831 /nfs/dbraw/zinc/89/28/31/385892831.db2.gz JERRSUAZBNJTAI-PHIMTYICSA-N 0 3 228.336 0.964 20 0 BCADHN CCN(C)CCNc1ccc2nncn2n1 ZINC000294791759 385895722 /nfs/dbraw/zinc/89/57/22/385895722.db2.gz BJPQEFDPLRMNMZ-UHFFFAOYSA-N 0 3 220.280 0.488 20 0 BCADHN CC[C@H](CO)N(C)C(=O)[C@H](CC)N(C)C ZINC000413846724 385898493 /nfs/dbraw/zinc/89/84/93/385898493.db2.gz UDPKPIWBNRVWQT-ZJUUUORDSA-N 0 3 216.325 0.556 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC000338154356 385906774 /nfs/dbraw/zinc/90/67/74/385906774.db2.gz PGGKZAQJJGXCMZ-YUMQZZPRSA-N 0 3 220.263 0.956 20 0 BCADHN CC1CCN(CCN=c2nc[nH]n2C)CC1 ZINC000647856693 385907106 /nfs/dbraw/zinc/90/71/06/385907106.db2.gz NFJRRSJSQSUIAW-UHFFFAOYSA-N 0 3 223.324 0.381 20 0 BCADHN CCN1CC[C@H](NC(=O)N[C@H](C)CF)C1 ZINC000413866416 385908368 /nfs/dbraw/zinc/90/83/68/385908368.db2.gz WHSFDFICHQUBAY-BDAKNGLRSA-N 0 3 217.288 0.738 20 0 BCADHN CCN1CC[C@H](NC(=O)N[C@@H](C)CF)C1 ZINC000413866418 385908864 /nfs/dbraw/zinc/90/88/64/385908864.db2.gz WHSFDFICHQUBAY-IUCAKERBSA-N 0 3 217.288 0.738 20 0 BCADHN CC[C@H](C(=O)NC(C)(C)CN(C)C)C(=O)OC ZINC000413868865 385909142 /nfs/dbraw/zinc/90/91/42/385909142.db2.gz WXMSMIRUFRXGBU-SECBINFHSA-N 0 3 244.335 0.642 20 0 BCADHN CC[C@@H](C(=O)N(CC)C1COC1)N(C)C ZINC000413870482 385909180 /nfs/dbraw/zinc/90/91/80/385909180.db2.gz ZRGZRDXSRZLVNN-JTQLQIEISA-N 0 3 214.309 0.574 20 0 BCADHN CC(C)CCN1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366756849 385912132 /nfs/dbraw/zinc/91/21/32/385912132.db2.gz LTYZTFACPIPMGX-WDEREUQCSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](N)C(=O)Nc1cc(Cl)c(=O)n(C)c1 ZINC000122447060 385919392 /nfs/dbraw/zinc/91/93/92/385919392.db2.gz XFIDTRJFXXCINM-RXMQYKEDSA-N 0 3 229.667 0.324 20 0 BCADHN CN(CCO)CCC(=O)OC(C)(C)C ZINC000122445882 385920224 /nfs/dbraw/zinc/92/02/24/385920224.db2.gz LJUZVXGMTORGII-UHFFFAOYSA-N 0 3 203.282 0.642 20 0 BCADHN Cn1ccc(CNCCNC(=O)c2ccn[nH]2)c1 ZINC000272641437 385920899 /nfs/dbraw/zinc/92/08/99/385920899.db2.gz ZHADSZGVYZOLLI-UHFFFAOYSA-N 0 3 247.302 0.268 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@H]2CCC[C@H](O)C2)C1 ZINC000414006100 385922778 /nfs/dbraw/zinc/92/27/78/385922778.db2.gz OSTQGXQKHMWOKI-SRVKXCTJSA-N 0 3 240.347 0.748 20 0 BCADHN CO[C@]1(C)C[C@H](NC(=O)[C@H](C)N)C1(C)C ZINC000121682145 385859706 /nfs/dbraw/zinc/85/97/06/385859706.db2.gz GTYLLGPIQGQISS-DKCNOQQISA-N 0 3 214.309 0.653 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H](C)c1ccncc1 ZINC000121622550 385859933 /nfs/dbraw/zinc/85/99/33/385859933.db2.gz VZRXMYCNUCRWHC-IUCAKERBSA-N 0 3 207.277 0.996 20 0 BCADHN C[C@@H](O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272736006 385927572 /nfs/dbraw/zinc/92/75/72/385927572.db2.gz CGYHXPCDSWTGHY-RKDXNWHRSA-N 0 3 212.293 0.134 20 0 BCADHN Cc1ncc(C(=O)NCC2=CCN(C)CC2)[nH]1 ZINC000271938630 385862353 /nfs/dbraw/zinc/86/23/53/385862353.db2.gz WLWDFZWHTHSGJM-UHFFFAOYSA-N 0 3 234.303 0.710 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CCCN2C)cc(=O)[nH]1 ZINC000271951841 385863135 /nfs/dbraw/zinc/86/31/35/385863135.db2.gz JOGQHFVDMWKGAB-NSHDSACASA-N 0 3 249.314 0.920 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2Cc2cn[nH]c2)C1 ZINC000644839580 385863849 /nfs/dbraw/zinc/86/38/49/385863849.db2.gz BKELXBLBUZANKI-QWRGUYRKSA-N 0 3 206.293 0.546 20 0 BCADHN Cc1cc(C(=O)NC[C@H](C)N(C)C)cc(=O)[nH]1 ZINC000271974690 385863923 /nfs/dbraw/zinc/86/39/23/385863923.db2.gz GHENLZHYPRJRCR-VIFPVBQESA-N 0 3 237.303 0.776 20 0 BCADHN C[C@@H](NCCOCCO)c1cccc(CO)c1 ZINC000271971199 385864268 /nfs/dbraw/zinc/86/42/68/385864268.db2.gz NCZUPXVPJQLOGD-LLVKDONJSA-N 0 3 239.315 0.838 20 0 BCADHN CC[C@H](C(=O)N[C@](C)(CCO)COC)N(C)C ZINC000413705629 385865266 /nfs/dbraw/zinc/86/52/66/385865266.db2.gz ZOXUBRSSXSKNNQ-ZYHUDNBSSA-N 0 3 246.351 0.230 20 0 BCADHN CCN(CCO)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000271998631 385866131 /nfs/dbraw/zinc/86/61/31/385866131.db2.gz RCRFURAETGUABB-OLZOCXBDSA-N 0 3 221.300 0.959 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2Cc2cocn2)C1 ZINC000644840333 385868691 /nfs/dbraw/zinc/86/86/91/385868691.db2.gz KHSIXQHOAABJFD-ONGXEEELSA-N 0 3 207.277 0.811 20 0 BCADHN C[C@@H](CNC(=O)CO)N(C)Cc1ccccc1 ZINC000294569357 385869044 /nfs/dbraw/zinc/86/90/44/385869044.db2.gz JXOLVKPIEFSITD-NSHDSACASA-N 0 3 236.315 0.615 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H](C)[C@H]1CCCCO1 ZINC000336726017 385870329 /nfs/dbraw/zinc/87/03/29/385870329.db2.gz BLQXHDPAXUBEIJ-GMTAPVOTSA-N 0 3 249.376 0.967 20 0 BCADHN CN1CC=C(CNC(=O)c2nccnc2N)CC1 ZINC000272053480 385871727 /nfs/dbraw/zinc/87/17/27/385871727.db2.gz ZYALTEDLEJYLGH-UHFFFAOYSA-N 0 3 247.302 0.051 20 0 BCADHN CN(C)[C@H]1CN(C[C@@H]2CCCCO2)C[C@@H]1O ZINC000647940548 385876602 /nfs/dbraw/zinc/87/66/02/385876602.db2.gz GSXGJLATMPWYET-SRVKXCTJSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000284621520 385877458 /nfs/dbraw/zinc/87/74/58/385877458.db2.gz QRARWRWEWFYPAJ-ZJUUUORDSA-N 0 3 235.287 0.409 20 0 BCADHN CC[C@H](C(=O)N(C)[C@@H](C)C(=O)OC)N(C)C ZINC000413769585 385879888 /nfs/dbraw/zinc/87/98/88/385879888.db2.gz RAEHTABVURDOLJ-DTWKUNHWSA-N 0 3 230.308 0.347 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@H](CO)c1ccccc1 ZINC000272155989 385880916 /nfs/dbraw/zinc/88/09/16/385880916.db2.gz GWDPLXLCAKHLAF-PPGNKHEKSA-N 0 3 248.326 0.954 20 0 BCADHN CO[C@H]1COC[C@@H]1NCCc1cscn1 ZINC000295153070 385979487 /nfs/dbraw/zinc/97/94/87/385979487.db2.gz BYLBJPXFKMHWHC-UWVGGRQHSA-N 0 3 228.317 0.689 20 0 BCADHN COC[C@@H](NCc1cc(=O)c(O)co1)C1CC1 ZINC000273234527 385979529 /nfs/dbraw/zinc/97/95/29/385979529.db2.gz DYQGKUPTFUCVMT-SNVBAGLBSA-N 0 3 239.271 0.860 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000408302288 385979810 /nfs/dbraw/zinc/97/98/10/385979810.db2.gz YKFFQLRTHBTBTO-NTZNESFSSA-N 0 3 242.363 0.992 20 0 BCADHN COC[C@H](NCc1cc(=O)c(O)co1)C1CC1 ZINC000273234526 385979888 /nfs/dbraw/zinc/97/98/88/385979888.db2.gz DYQGKUPTFUCVMT-JTQLQIEISA-N 0 3 239.271 0.860 20 0 BCADHN CC1CCN(CC(=O)N2CCNC[C@H]2C)CC1 ZINC000335020182 385979999 /nfs/dbraw/zinc/97/99/99/385979999.db2.gz BPQGQUKBXUKLRY-GFCCVEGCSA-N 0 3 239.363 0.539 20 0 BCADHN Nc1cc(CN2CC[C@@H](CO)C2)ccn1 ZINC000161693981 385981583 /nfs/dbraw/zinc/98/15/83/385981583.db2.gz GKSHJPHDKPCBAN-SNVBAGLBSA-N 0 3 207.277 0.478 20 0 BCADHN CO[C@@H](CN(C)CC(C)(CO)CO)C1CC1 ZINC000425415495 385983165 /nfs/dbraw/zinc/98/31/65/385983165.db2.gz JDLCYFUVEIJKIG-NSHDSACASA-N 0 3 231.336 0.334 20 0 BCADHN CCS(=O)(=O)NCCN(C)[C@@H](C)C(C)C ZINC000345070806 385985800 /nfs/dbraw/zinc/98/58/00/385985800.db2.gz CHDPXRFYXGQJMM-JTQLQIEISA-N 0 3 236.381 0.902 20 0 BCADHN CN(C)C(=O)CN1CCC[C@]2(CCOC2)C1 ZINC000335039464 385931566 /nfs/dbraw/zinc/93/15/66/385931566.db2.gz FKYPHBTUILOSRF-LBPRGKRZSA-N 0 3 226.320 0.577 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H](CO)[C@H]1C ZINC000414053245 385934344 /nfs/dbraw/zinc/93/43/44/385934344.db2.gz JTHVFSOZDCVIRI-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H](C(=O)NCc1c[nH]nc1C)N(C)C ZINC000338271101 385935497 /nfs/dbraw/zinc/93/54/97/385935497.db2.gz LCGGMBREXZSQPL-JTQLQIEISA-N 0 3 224.308 0.675 20 0 BCADHN c1ncn(C[C@H]2CCCN2Cc2cnc[nH]2)n1 ZINC000369388006 385993170 /nfs/dbraw/zinc/99/31/70/385993170.db2.gz DZAYLTJUXOMZBH-LLVKDONJSA-N 0 3 232.291 0.666 20 0 BCADHN C[C@@H](NCCO)c1ccc2c(c1)OCC(=O)N2 ZINC000285524205 385937159 /nfs/dbraw/zinc/93/71/59/385937159.db2.gz FBEHLYBCHCUTJU-MRVPVSSYSA-N 0 3 236.271 0.660 20 0 BCADHN CN1CCC(NC(=O)[C@]2(C)C[C@@H]2F)CC1 ZINC000335045571 385941510 /nfs/dbraw/zinc/94/15/10/385941510.db2.gz CCYNQIHIOPBKGC-GXSJLCMTSA-N 0 3 214.284 0.945 20 0 BCADHN CN1CC[C@](O)(CNC(=O)[C@@H]2CCCS2)C1 ZINC000335047693 385944116 /nfs/dbraw/zinc/94/41/16/385944116.db2.gz MDGBRUQQAMMOLM-ONGXEEELSA-N 0 3 244.360 0.065 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)[C@@H]2CCCS2)C1 ZINC000335047690 385944549 /nfs/dbraw/zinc/94/45/49/385944549.db2.gz MDGBRUQQAMMOLM-GXSJLCMTSA-N 0 3 244.360 0.065 20 0 BCADHN Cc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000335047735 385944809 /nfs/dbraw/zinc/94/48/09/385944809.db2.gz SAXSIUAASWQAOV-CQSZACIVSA-N 0 3 248.326 0.791 20 0 BCADHN CO[C@@H](CN(C)CCN1CCOCC1)C1CC1 ZINC000425395723 385945946 /nfs/dbraw/zinc/94/59/46/385945946.db2.gz OJDDMZALMWRTIT-ZDUSSCGKSA-N 0 3 242.363 0.675 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H](CO)[C@@H]1C)N(C)C ZINC000414076322 385947574 /nfs/dbraw/zinc/94/75/74/385947574.db2.gz PVAKZVPTHTUBMV-QJPTWQEYSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@H]1CCCN1C ZINC000414072688 385948191 /nfs/dbraw/zinc/94/81/91/385948191.db2.gz NQVTYWBODVKZJY-WOPDTQHZSA-N 0 3 240.347 0.700 20 0 BCADHN CCC1(CO)CCN([C@@H]2CCCNC2=O)CC1 ZINC000335052940 385951492 /nfs/dbraw/zinc/95/14/92/385951492.db2.gz ANGZXXUWNZZQHY-LLVKDONJSA-N 0 3 240.347 0.750 20 0 BCADHN CO[C@H](C)CCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452971317 385956654 /nfs/dbraw/zinc/95/66/54/385956654.db2.gz GXJFIRUOJBJWQK-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H](CNC(=O)c1c([O-])cccc1O)[NH+](C)C ZINC000220222997 385959123 /nfs/dbraw/zinc/95/91/23/385959123.db2.gz JOFHVUVJEAVFOH-MRVPVSSYSA-N 0 3 238.287 0.778 20 0 BCADHN Cc1ncc(CN[C@H]2CCC[C@@H]2O)cn1 ZINC000309099154 385959549 /nfs/dbraw/zinc/95/95/49/385959549.db2.gz FZULMTRJQIYMSN-QWRGUYRKSA-N 0 3 207.277 0.788 20 0 BCADHN C[C@H](O)CCN1CCC(NC(=O)C2CC2)CC1 ZINC000425400716 385962256 /nfs/dbraw/zinc/96/22/56/385962256.db2.gz DEUABNUAANKDNZ-JTQLQIEISA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)[C@@H](O)C(=O)NCC1=CCN(C)CC1 ZINC000285767436 385962612 /nfs/dbraw/zinc/96/26/12/385962612.db2.gz JDHHPWAJEADPQA-LLVKDONJSA-N 0 3 226.320 0.381 20 0 BCADHN CC[C@@H](C(=O)NCc1cc(C)nn1C)N(C)C ZINC000285770590 385963690 /nfs/dbraw/zinc/96/36/90/385963690.db2.gz RWNUPPLZQSGIOH-NSHDSACASA-N 0 3 238.335 0.685 20 0 BCADHN CNC(=O)C[C@H](C)N[C@H]1C=C[C@H](CO)C1 ZINC000345048219 385964486 /nfs/dbraw/zinc/96/44/86/385964486.db2.gz DJVOQPJYEWKBBN-GUBZILKMSA-N 0 3 212.293 0.038 20 0 BCADHN Cc1nnc(NC(=O)/C=C/CN(C)C)n1C ZINC000273106584 385969513 /nfs/dbraw/zinc/96/95/13/385969513.db2.gz BPTUAUREYALUQR-AATRIKPKSA-N 0 3 223.280 0.180 20 0 BCADHN C[C@H](O)CN1CC[C@@H](N2CCCC2=O)C1 ZINC000335015530 385971059 /nfs/dbraw/zinc/97/10/59/385971059.db2.gz YBMNVIMJECCZSN-VHSXEESVSA-N 0 3 212.293 0.064 20 0 BCADHN Cc1ncc(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)[nH]1 ZINC000335016537 385973891 /nfs/dbraw/zinc/97/38/91/385973891.db2.gz BIUPQGWAEVTHAC-IUCAKERBSA-N 0 3 236.319 0.883 20 0 BCADHN CC[C@H](N)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000309246346 385998023 /nfs/dbraw/zinc/99/80/23/385998023.db2.gz NQBDKKNXNAOSKX-WDEREUQCSA-N 0 3 225.336 0.276 20 0 BCADHN C[C@@H](CNC(=O)Nc1ccon1)N(C)C ZINC000273403656 385998487 /nfs/dbraw/zinc/99/84/87/385998487.db2.gz MWKJNUWPCLPEGP-ZETCQYMHSA-N 0 3 212.253 0.746 20 0 BCADHN CCC[C@H](N)c1cn(Cc2ncc[nH]2)nn1 ZINC000309271422 386001826 /nfs/dbraw/zinc/00/18/26/386001826.db2.gz DDASAFPPLXVCBQ-QMMMGPOBSA-N 0 3 220.280 0.849 20 0 BCADHN CCCCN(CC(=O)NCC(=O)OC)C1CC1 ZINC000338418266 386003431 /nfs/dbraw/zinc/00/34/31/386003431.db2.gz PHQNQTBIDARECA-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccc2nc[nH]c2n1 ZINC000273482012 386007247 /nfs/dbraw/zinc/00/72/47/386007247.db2.gz ZXGCJLUKZHPRQH-UHFFFAOYSA-N 0 3 247.302 0.592 20 0 BCADHN Cc1ccc([O-])c(CN[C@@H]2CC[NH2+]C2)n1 ZINC000414881959 386008565 /nfs/dbraw/zinc/00/85/65/386008565.db2.gz LSASKSHSTKWGKG-SECBINFHSA-N 0 3 207.277 0.547 20 0 BCADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)N(C)C ZINC000273534496 386010067 /nfs/dbraw/zinc/01/00/67/386010067.db2.gz VNHWUTDZASCUKS-ZETCQYMHSA-N 0 3 239.275 0.058 20 0 BCADHN C[C@H]1CN(CC(C)(C)O)CCN1CCCO ZINC000189465167 386012034 /nfs/dbraw/zinc/01/20/34/386012034.db2.gz MWKBXZJLEJFVPP-NSHDSACASA-N 0 3 230.352 0.146 20 0 BCADHN C[C@@H](C(=O)NCCN(C)C)C(C)(F)F ZINC000338475810 386013791 /nfs/dbraw/zinc/01/37/91/386013791.db2.gz SRDSFRMNNUCRAQ-ZETCQYMHSA-N 0 3 208.252 0.956 20 0 BCADHN C[C@H](NCCCN1CCOC1=O)c1ncc[nH]1 ZINC000286258628 386014359 /nfs/dbraw/zinc/01/43/59/386014359.db2.gz URPJWCPZEUQMJA-VIFPVBQESA-N 0 3 238.291 0.903 20 0 BCADHN CO[C@H](C)CCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000417463797 386018911 /nfs/dbraw/zinc/01/89/11/386018911.db2.gz POHYQVNHLUZQSH-MXWKQRLJSA-N 0 3 243.351 0.803 20 0 BCADHN CO[C@H](C)CCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000417463796 386019563 /nfs/dbraw/zinc/01/95/63/386019563.db2.gz POHYQVNHLUZQSH-GMTAPVOTSA-N 0 3 243.351 0.803 20 0 BCADHN CN(CCOC(C)(C)C)CCC(N)=O ZINC000353176498 386020410 /nfs/dbraw/zinc/02/04/10/386020410.db2.gz UFCASLRTRGQPKS-UHFFFAOYSA-N 0 3 202.298 0.609 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@@](C)(C(N)=O)C1 ZINC000331813057 386021988 /nfs/dbraw/zinc/02/19/88/386021988.db2.gz BKKODVYNYIVRCM-PRHODGIISA-N 0 3 239.319 0.901 20 0 BCADHN CO[C@@H](C)CN(C)C(=O)NC[C@@H]1CCCN1C ZINC000345119515 386024999 /nfs/dbraw/zinc/02/49/99/386024999.db2.gz RTMWAPGXFHRHTD-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN CN(CCC(N)=O)C[C@@H](O)c1ccccc1 ZINC000286342693 386026581 /nfs/dbraw/zinc/02/65/81/386026581.db2.gz GOZWZCSFYKFMPO-LLVKDONJSA-N 0 3 222.288 0.527 20 0 BCADHN CN(CCC(N)=O)CCN(C)Cc1ccccc1 ZINC000295421674 386028791 /nfs/dbraw/zinc/02/87/91/386028791.db2.gz YHMBGFPKOUNCLK-UHFFFAOYSA-N 0 3 249.358 0.926 20 0 BCADHN Cc1ncc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)[nH]1 ZINC000335063171 386031534 /nfs/dbraw/zinc/03/15/34/386031534.db2.gz OUPPQPAPFJJSQL-SCZZXKLOSA-N 0 3 236.319 0.931 20 0 BCADHN COC(=O)C(C)(C)CCN(CCO)CCCO ZINC000338544663 386039230 /nfs/dbraw/zinc/03/92/30/386039230.db2.gz DKWOKVWEKCCDTO-UHFFFAOYSA-N 0 3 247.335 0.252 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C)C1 ZINC000334429071 386039924 /nfs/dbraw/zinc/03/99/24/386039924.db2.gz IQOOMEFCXRPISD-SFYZADRCSA-N 0 3 213.281 0.172 20 0 BCADHN C[C@H](O)CN1CCC(O)(C(F)F)CC1 ZINC000334437338 386043388 /nfs/dbraw/zinc/04/33/88/386043388.db2.gz RBOQDBMFGYAURU-ZETCQYMHSA-N 0 3 209.236 0.459 20 0 BCADHN COC(=O)CCNC(=O)[C@H]1CCCN1C1CC1 ZINC000331824841 386049088 /nfs/dbraw/zinc/04/90/88/386049088.db2.gz ZYRBGCFJYUKDAJ-SNVBAGLBSA-N 0 3 240.303 0.293 20 0 BCADHN C[C@H](CNS(C)(=O)=O)N1CCC[C@H](C)C1 ZINC000334440266 386049649 /nfs/dbraw/zinc/04/96/49/386049649.db2.gz WKQAPFXGECOEBO-VHSXEESVSA-N 0 3 234.365 0.656 20 0 BCADHN CO[C@H](CN1CC[C@H](C)C[C@H]1C(N)=O)C1CC1 ZINC000425435093 386052595 /nfs/dbraw/zinc/05/25/95/386052595.db2.gz RRGGTXWCPXSXIA-ZMLRMANQSA-N 0 3 240.347 0.997 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@@]1(C)CCCO1 ZINC000162305363 386055508 /nfs/dbraw/zinc/05/55/08/386055508.db2.gz KTRPLCRLPHHEIL-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN CCNC(=O)CCN1CC[C@@H](OCCOC)C1 ZINC000189665060 386055593 /nfs/dbraw/zinc/05/55/93/386055593.db2.gz PSIMKXBRUDVHCA-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN CC(C)(F)CNC(=O)[C@@H](N)CC(F)F ZINC000638812878 385996222 /nfs/dbraw/zinc/99/62/22/385996222.db2.gz NUDLBHKNIZFTOS-YFKPBYRVSA-N 0 3 212.215 0.833 20 0 BCADHN COCC[C@@H](C)NC(=O)CNC[C@@H]1CCCO1 ZINC000237100636 259680942 /nfs/dbraw/zinc/68/09/42/259680942.db2.gz ZYUDCUVCUCSHDI-MNOVXSKESA-N 0 3 244.335 0.296 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000234798369 386101936 /nfs/dbraw/zinc/10/19/36/386101936.db2.gz GUSJMQDAVXGTFH-STQMWFEESA-N 0 3 248.326 0.804 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCO[C@H](C)C1 ZINC000345313703 386103097 /nfs/dbraw/zinc/10/30/97/386103097.db2.gz RLJDWXZFHDHAPG-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC12CCCCC2 ZINC000638290257 386123459 /nfs/dbraw/zinc/12/34/59/386123459.db2.gz DPUAMCCDHDTIAO-VWYCJHECSA-N 0 3 238.331 0.942 20 0 BCADHN C[C@H]1CN(C(=O)Nc2cnns2)[C@@H](C)CN1 ZINC000415549578 386103582 /nfs/dbraw/zinc/10/35/82/386103582.db2.gz TUCONZOCKHOMEW-BQBZGAKWSA-N 0 3 241.320 0.752 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1cnns1 ZINC000415549579 386104240 /nfs/dbraw/zinc/10/42/40/386104240.db2.gz TUCONZOCKHOMEW-NKWVEPMBSA-N 0 3 241.320 0.752 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@@H](C)CO)N(CC)CC ZINC000338693398 386105816 /nfs/dbraw/zinc/10/58/16/386105816.db2.gz MTZPMVXWUNVUGU-QWRGUYRKSA-N 0 3 230.352 0.946 20 0 BCADHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1nc[nH]n1 ZINC000287284755 386107940 /nfs/dbraw/zinc/10/79/40/386107940.db2.gz SXNHGXKANXYCPO-NXEZZACHSA-N 0 3 249.318 0.504 20 0 BCADHN C[C@@H](CCN1CCN(C)CC1)Nc1cnccn1 ZINC000274469745 386107928 /nfs/dbraw/zinc/10/79/28/386107928.db2.gz MEJHFMFLKRAKGO-LBPRGKRZSA-N 0 3 249.362 0.915 20 0 BCADHN C[C@H](CCN1CCN(C)CC1)Nc1cnccn1 ZINC000274469742 386108524 /nfs/dbraw/zinc/10/85/24/386108524.db2.gz MEJHFMFLKRAKGO-GFCCVEGCSA-N 0 3 249.362 0.915 20 0 BCADHN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1ccccc1F ZINC000054140456 386110980 /nfs/dbraw/zinc/11/09/80/386110980.db2.gz RPDIFFAKDHCDIX-MRVPVSSYSA-N 0 3 246.307 0.699 20 0 BCADHN C[C@@H]1CN(CCCO)CCN1CC(C)(C)O ZINC000189941120 386123843 /nfs/dbraw/zinc/12/38/43/386123843.db2.gz FPLSCNFTIMHFIV-LLVKDONJSA-N 0 3 230.352 0.146 20 0 BCADHN C[C@@H](C[S@](C)=O)N(C)C(=O)/C=C/CN(C)C ZINC000274497837 386111074 /nfs/dbraw/zinc/11/10/74/386111074.db2.gz LIBMVGCKDJPMPO-WAVVLLNESA-N 0 3 246.376 0.330 20 0 BCADHN COC[C@@H](CO)NCc1nc(C)ccc1O ZINC000234875151 386111779 /nfs/dbraw/zinc/11/17/79/386111779.db2.gz JQRJWOKRZIQFHA-SECBINFHSA-N 0 3 226.276 0.193 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCn1ccnc1 ZINC000287335046 386113778 /nfs/dbraw/zinc/11/37/78/386113778.db2.gz YHHRELCZBOZRLT-JTQLQIEISA-N 0 3 224.308 0.340 20 0 BCADHN C[C@H](CO)N(C)CCO[C@@H]1CCCCO1 ZINC000124655173 386119943 /nfs/dbraw/zinc/11/99/43/386119943.db2.gz MNPPHAORLRVUPV-GHMZBOCLSA-N 0 3 217.309 0.842 20 0 BCADHN Cc1n[nH]c(C)c1CNCCCS(C)(=O)=O ZINC000038047558 386120902 /nfs/dbraw/zinc/12/09/02/386120902.db2.gz BBMFJADPOGDBKN-UHFFFAOYSA-N 0 3 245.348 0.551 20 0 BCADHN COc1cc(NC(=O)NCCN(C)C)ccn1 ZINC000287445332 386121390 /nfs/dbraw/zinc/12/13/90/386121390.db2.gz UQLBLPAGTXKOEH-UHFFFAOYSA-N 0 3 238.291 0.773 20 0 BCADHN CC[C@@H](C(=O)N(CC)CCOC)N(C)C ZINC000343173298 386121577 /nfs/dbraw/zinc/12/15/77/386121577.db2.gz JKCLXLUYBAKAHZ-JTQLQIEISA-N 0 3 216.325 0.822 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CC(C2CC2)C1 ZINC000643290534 386061620 /nfs/dbraw/zinc/06/16/20/386061620.db2.gz ORWLGQQTHMYFIF-LLVKDONJSA-N 0 3 208.305 0.949 20 0 BCADHN CNC(=O)[C@H]1CCC[C@H]1NCc1cnc(C)nc1 ZINC000345839170 386122007 /nfs/dbraw/zinc/12/20/07/386122007.db2.gz GIZLEOVZGUZSHN-NWDGAFQWSA-N 0 3 248.330 0.789 20 0 BCADHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cncn1C ZINC000345840110 386122051 /nfs/dbraw/zinc/12/20/51/386122051.db2.gz GZSQABHHHPDSAN-QWRGUYRKSA-N 0 3 236.319 0.424 20 0 BCADHN CO[C@H](CN(CCO)[C@H]1CCO[C@H]1C)C1CC1 ZINC000425439396 386067384 /nfs/dbraw/zinc/06/73/84/386067384.db2.gz CBSJYYZRBOCCNE-WCFLWFBJSA-N 0 3 243.347 0.883 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000516969294 386068770 /nfs/dbraw/zinc/06/87/70/386068770.db2.gz WVDUKNRHWQKPMW-LLVKDONJSA-N 0 3 249.314 0.655 20 0 BCADHN CC[C@@](C)(NC[C@H](O)CC(F)(F)F)C(N)=O ZINC000189705461 386072581 /nfs/dbraw/zinc/07/25/81/386072581.db2.gz SLCUXXOMIKQVND-HTRCEHHLSA-N 0 3 242.241 0.543 20 0 BCADHN C[C@H](N)C(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000340240356 386073598 /nfs/dbraw/zinc/07/35/98/386073598.db2.gz UMIPYRIEQOGXMZ-GARJFASQSA-N 0 3 228.336 0.781 20 0 BCADHN CCCN(C)CC(=O)NCCc1ncc[nH]1 ZINC000345224978 386074023 /nfs/dbraw/zinc/07/40/23/386074023.db2.gz UNMGKQJDVAXNAK-UHFFFAOYSA-N 0 3 224.308 0.410 20 0 BCADHN CC(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000345237630 386075811 /nfs/dbraw/zinc/07/58/11/386075811.db2.gz KBZYSYBCIBUHFG-UHFFFAOYSA-N 0 3 223.276 0.980 20 0 BCADHN CO[C@H](CN[C@@H]1C(=O)NCC[C@@H]1C)C1CC1 ZINC000425443830 386076668 /nfs/dbraw/zinc/07/66/68/386076668.db2.gz MQIWJDASOPNPTA-GDPRMGEGSA-N 0 3 226.320 0.526 20 0 BCADHN C[C@H](O)CN1CCC(c2cn[nH]c2)CC1 ZINC000365403108 386076725 /nfs/dbraw/zinc/07/67/25/386076725.db2.gz NBRFNWCYKSZFMP-VIFPVBQESA-N 0 3 209.293 0.970 20 0 BCADHN C[C@H](O)CCN(CCO)[C@@H]1CCO[C@H]1C ZINC000425445085 386078040 /nfs/dbraw/zinc/07/80/40/386078040.db2.gz OKASPQUKNPZLMQ-GARJFASQSA-N 0 3 217.309 0.229 20 0 BCADHN C[C@@H](C(=O)N1CC(C)(O)C1)N1[C@H](C)CC[C@H]1C ZINC000338609570 386078365 /nfs/dbraw/zinc/07/83/65/386078365.db2.gz NYFUIIRWEGPRSX-MXWKQRLJSA-N 0 3 240.347 0.841 20 0 BCADHN C[C@@H](O)CCN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000425447821 386078378 /nfs/dbraw/zinc/07/83/78/386078378.db2.gz QPLIZDNFSVKXBW-NWDGAFQWSA-N 0 3 244.379 0.534 20 0 BCADHN Cc1cccc(NC(=O)C(=O)N(C)[C@@H](C)CN)c1 ZINC000415422183 386081226 /nfs/dbraw/zinc/08/12/26/386081226.db2.gz WIUHMXDSKBBYJD-JTQLQIEISA-N 0 3 249.314 0.739 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccc(C(N)=O)o1 ZINC000286901897 386082800 /nfs/dbraw/zinc/08/28/00/386082800.db2.gz GZLDDPUQYRRTOW-ZETCQYMHSA-N 0 3 239.275 0.058 20 0 BCADHN Cc1ocnc1C(=O)N[C@@H](C)CN(C)C ZINC000286932144 386083391 /nfs/dbraw/zinc/08/33/91/386083391.db2.gz JHTMQJVZFGJYBN-ZETCQYMHSA-N 0 3 211.265 0.663 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCn1cccn1 ZINC000286930102 386083819 /nfs/dbraw/zinc/08/38/19/386083819.db2.gz JDNPMGLVIIYWTE-JTQLQIEISA-N 0 3 224.308 0.340 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H](C)[C@H]1CO ZINC000189736340 386086113 /nfs/dbraw/zinc/08/61/13/386086113.db2.gz PWZXZKKQRFKBEK-VHSXEESVSA-N 0 3 214.309 0.214 20 0 BCADHN CCOC[C@@H](N[C@@H](C)C(N)=O)C(C)C ZINC000189795059 386086966 /nfs/dbraw/zinc/08/69/66/386086966.db2.gz IGIVUVXUNZNWTQ-DTWKUNHWSA-N 0 3 202.298 0.511 20 0 BCADHN Cc1cc(C(=O)N[C@@H](C)CN(C)C)no1 ZINC000286955302 386087147 /nfs/dbraw/zinc/08/71/47/386087147.db2.gz KUUYLOCOLROPJC-ZETCQYMHSA-N 0 3 211.265 0.663 20 0 BCADHN CCN(C[C@H](O)COC(C)C)[C@H]1CCOC1 ZINC000336642729 386087517 /nfs/dbraw/zinc/08/75/17/386087517.db2.gz AAUJGACQYKILBW-RYUDHWBXSA-N 0 3 231.336 0.883 20 0 BCADHN CCOC[C@@H](N[C@H](C)C(N)=O)C(C)C ZINC000189795092 386087850 /nfs/dbraw/zinc/08/78/50/386087850.db2.gz IGIVUVXUNZNWTQ-RKDXNWHRSA-N 0 3 202.298 0.511 20 0 BCADHN CCOC[C@H](N[C@@H](C)C(N)=O)C(C)C ZINC000189795039 386087865 /nfs/dbraw/zinc/08/78/65/386087865.db2.gz IGIVUVXUNZNWTQ-IUCAKERBSA-N 0 3 202.298 0.511 20 0 BCADHN C[C@H](CC(N)=O)NC/C=C\c1ccncc1 ZINC000336738511 386089602 /nfs/dbraw/zinc/08/96/02/386089602.db2.gz KGZAGVDTDGWJSR-MXQLGCADSA-N 0 3 219.288 0.948 20 0 BCADHN C[C@H](CC(N)=O)NC/C=C/c1ccncc1 ZINC000336738513 386090207 /nfs/dbraw/zinc/09/02/07/386090207.db2.gz KGZAGVDTDGWJSR-VMZHVLLKSA-N 0 3 219.288 0.948 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CCOC1)C1=CCN(C)CC1 ZINC000334457716 386097514 /nfs/dbraw/zinc/09/75/14/386097514.db2.gz IYLSMLBCCNMWGA-CMPLNLGQSA-N 0 3 238.331 0.790 20 0 BCADHN CCc1ncc(CNCCN2CCC2)cn1 ZINC000414365654 386148194 /nfs/dbraw/zinc/14/81/94/386148194.db2.gz MRLNCNJCKLXZBQ-UHFFFAOYSA-N 0 3 220.320 0.834 20 0 BCADHN CN1CCC[C@@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000334476056 386152996 /nfs/dbraw/zinc/15/29/96/386152996.db2.gz OLNYYAOQUAVMJR-CMPLNLGQSA-N 0 3 237.347 0.434 20 0 BCADHN C[C@H](O)CCN1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000425483199 386153069 /nfs/dbraw/zinc/15/30/69/386153069.db2.gz UNICJPOUENQZND-TUAOUCFPSA-N 0 3 230.352 0.144 20 0 BCADHN COC[C@H](C)N1CCC2(CNC(=O)N2C)CC1 ZINC000335157135 386153627 /nfs/dbraw/zinc/15/36/27/386153627.db2.gz DCHXWRADQXNTIA-JTQLQIEISA-N 0 3 241.335 0.511 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)[C@H](N)CC(F)F ZINC000336643512 386155297 /nfs/dbraw/zinc/15/52/97/386155297.db2.gz AXSBBJTYYAYBFW-SFYZADRCSA-N 0 3 238.278 0.492 20 0 BCADHN CC[C@H](CO)N(C)C(=O)/C=C/CN(C)C ZINC000296257473 386156494 /nfs/dbraw/zinc/15/64/94/386156494.db2.gz XWWVFIXBPKUZNU-VQCYPWCPSA-N 0 3 214.309 0.334 20 0 BCADHN C[C@H](CN(C)C)NC(=O)CCOCC1CC1 ZINC000346285295 386190161 /nfs/dbraw/zinc/19/01/61/386190161.db2.gz YJMHEZDRGBUXRA-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000346178571 386160750 /nfs/dbraw/zinc/16/07/50/386160750.db2.gz LMISGIKELAEKHT-LPEHRKFASA-N 0 3 214.309 0.478 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@]1(C)CCCOC1 ZINC000346176698 386161373 /nfs/dbraw/zinc/16/13/73/386161373.db2.gz ZJMPTGUUWSPDCH-JQWIXIFHSA-N 0 3 228.336 0.869 20 0 BCADHN COC1(C(=O)N[C@H](C)CN(C)C)CCOCC1 ZINC000346177466 386161901 /nfs/dbraw/zinc/16/19/01/386161901.db2.gz ANZKWAZUUWGZLH-SNVBAGLBSA-N 0 3 244.335 0.248 20 0 BCADHN O=C(CNC1CCOCC1)NCc1ccco1 ZINC000346131824 386162965 /nfs/dbraw/zinc/16/29/65/386162965.db2.gz HZARKUVVPBXXHY-UHFFFAOYSA-N 0 3 238.287 0.664 20 0 BCADHN C[C@H](O)C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000346132013 386163115 /nfs/dbraw/zinc/16/31/15/386163115.db2.gz OBDUUHSBLJGMKH-OUAUKWLOSA-N 0 3 226.320 0.452 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CCO[C@H](C)C1 ZINC000346132718 386163669 /nfs/dbraw/zinc/16/36/69/386163669.db2.gz AKOHCTRSXJDJJX-GMTAPVOTSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1cccc(C(N)=O)c1 ZINC000346136075 386166632 /nfs/dbraw/zinc/16/66/32/386166632.db2.gz DHUZEJWLYAYUSK-SECBINFHSA-N 0 3 249.314 0.465 20 0 BCADHN Cc1cc(C)cc(NC(=O)C(=O)N(C)CCN)c1 ZINC000415881639 386167102 /nfs/dbraw/zinc/16/71/02/386167102.db2.gz VIOUFYIHZDXRGE-UHFFFAOYSA-N 0 3 249.314 0.659 20 0 BCADHN CCOC[C@@H](O)CNCc1ccc(OC)nc1 ZINC000069278654 386168137 /nfs/dbraw/zinc/16/81/37/386168137.db2.gz IRBPRRHAXVKLQR-NSHDSACASA-N 0 3 240.303 0.577 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@@H](N(C)C)C1 ZINC000346279711 386190759 /nfs/dbraw/zinc/19/07/59/386190759.db2.gz YFVHXXLYFQRJTB-ZYHUDNBSSA-N 0 3 239.363 0.680 20 0 BCADHN CSC[C@@H](O)CNC1(C(N)=O)CCCCC1 ZINC000188076614 386170310 /nfs/dbraw/zinc/17/03/10/386170310.db2.gz GPXOACDIKZAQRG-VIFPVBQESA-N 0 3 246.376 0.488 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000346160824 386171266 /nfs/dbraw/zinc/17/12/66/386171266.db2.gz MPYMIDYNXWQNEM-GWOFURMSSA-N 0 3 228.336 0.866 20 0 BCADHN CCOC[C@H](O)CN(C)CCC(=O)OCC ZINC000069280213 386171286 /nfs/dbraw/zinc/17/12/86/386171286.db2.gz XBZQEIKAIWMRHV-SNVBAGLBSA-N 0 3 233.308 0.269 20 0 BCADHN COC1(CCN2CCC[C@@H]2C(N)=O)CCC1 ZINC000338899203 386172360 /nfs/dbraw/zinc/17/23/60/386172360.db2.gz GDXVKPUUFNLHEV-SNVBAGLBSA-N 0 3 226.320 0.895 20 0 BCADHN Cc1nnc(CN2CCN(C)C[C@H]2C(C)C)[nH]1 ZINC000425483560 386173417 /nfs/dbraw/zinc/17/34/17/386173417.db2.gz RHXHIUCGKUWMPH-NSHDSACASA-N 0 3 237.351 0.885 20 0 BCADHN COC[C@@H](C)CC(=O)N[C@H](C)CN(C)C ZINC000346170570 386173793 /nfs/dbraw/zinc/17/37/93/386173793.db2.gz WJWIOGQEBGTKID-VHSXEESVSA-N 0 3 216.325 0.725 20 0 BCADHN Cn1cc(NC(=O)C2CCN(C3CC3)CC2)nn1 ZINC000643302725 386174108 /nfs/dbraw/zinc/17/41/08/386174108.db2.gz IUNXSIUHSSNNII-UHFFFAOYSA-N 0 3 249.318 0.628 20 0 BCADHN COC1(C(=O)N[C@H](C)CN(C)C)CCC1 ZINC000346168931 386174336 /nfs/dbraw/zinc/17/43/36/386174336.db2.gz GZIDXIXJXQELPE-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H](CN(C)C)NC(=O)CCc1ccncn1 ZINC000346229983 386176385 /nfs/dbraw/zinc/17/63/85/386176385.db2.gz SUYMXFGRFFSGKA-SNVBAGLBSA-N 0 3 236.319 0.476 20 0 BCADHN CO[C@@H](CN1CCN(CCO)C[C@H]1C)C1CC1 ZINC000425494900 386177414 /nfs/dbraw/zinc/17/74/14/386177414.db2.gz RLUXAYQDRDUFAK-YPMHNXCESA-N 0 3 242.363 0.410 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@]1(C)CCCO1 ZINC000346187657 386181027 /nfs/dbraw/zinc/18/10/27/386181027.db2.gz FJEWOFOXZPKXNW-ONGXEEELSA-N 0 3 214.309 0.622 20 0 BCADHN CCN(C)C(=O)CN1C[C@@H](C)N(CC)C[C@@H]1C ZINC000346193533 386181314 /nfs/dbraw/zinc/18/13/14/386181314.db2.gz QDHNPMXTZPFEJE-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN COCC(C)(C)N1CCN(CCCCO)CC1 ZINC000425500954 386183762 /nfs/dbraw/zinc/18/37/62/386183762.db2.gz DAVHKNVCPJBXAI-UHFFFAOYSA-N 0 3 244.379 0.802 20 0 BCADHN C[C@@H](O)CCN1CCC[C@H](n2ccnn2)C1 ZINC000425502678 386186066 /nfs/dbraw/zinc/18/60/66/386186066.db2.gz HSIIFUJDURWEAP-MNOVXSKESA-N 0 3 224.308 0.686 20 0 BCADHN Cc1ocnc1C(=O)NCCN(C)C1CC1 ZINC000263863647 386186700 /nfs/dbraw/zinc/18/67/00/386186700.db2.gz YELKYHVXYURGKL-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN CCC[C@](C)(O)CNC(=O)[C@@H](CC)N(C)C ZINC000338967941 386187409 /nfs/dbraw/zinc/18/74/09/386187409.db2.gz XQAMWGVCHMRECI-PWSUYJOCSA-N 0 3 230.352 0.994 20 0 BCADHN C[C@@H]1CN(CCCCO)CCN1CC(C)(C)O ZINC000189953904 386125724 /nfs/dbraw/zinc/12/57/24/386125724.db2.gz HDAQHLVFGQSVPS-GFCCVEGCSA-N 0 3 244.379 0.536 20 0 BCADHN CC[C@@H](C(=O)N1CCN(C)CC1)N(CC)CC ZINC000345848732 386126104 /nfs/dbraw/zinc/12/61/04/386126104.db2.gz PZPNBNUDZQPXDI-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)NCCN1CC[C@@H](C)C1 ZINC000525804541 386129221 /nfs/dbraw/zinc/12/92/21/386129221.db2.gz AWGWWAYJYUQIEB-IJLUTSLNSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H](CNC(=O)CCc1ccnn1C)N(C)C ZINC000274632181 386132155 /nfs/dbraw/zinc/13/21/55/386132155.db2.gz WIYRESRWFKIWAX-JTQLQIEISA-N 0 3 238.335 0.419 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@](F)(CO)C1 ZINC000338762473 386132501 /nfs/dbraw/zinc/13/25/01/386132501.db2.gz NQHCEXDISCHMCN-NSHDSACASA-N 0 3 232.299 0.261 20 0 BCADHN C[C@@H](O)CCN1CC[C@@](O)(C(F)F)C1 ZINC000425468039 386134396 /nfs/dbraw/zinc/13/43/96/386134396.db2.gz CNLGLFAJTYHJPW-APPZFPTMSA-N 0 3 209.236 0.459 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCc1ccn(C)c1 ZINC000287562291 386134576 /nfs/dbraw/zinc/13/45/76/386134576.db2.gz JRIASHWCOPAWMH-JTQLQIEISA-N 0 3 238.335 0.774 20 0 BCADHN COCC(C)(C)C(=O)NCCOCCN(C)C ZINC000346007062 386139254 /nfs/dbraw/zinc/13/92/54/386139254.db2.gz NLDBTAKKSSBRNX-UHFFFAOYSA-N 0 3 246.351 0.353 20 0 BCADHN CN(CCNC(=O)CCc1ncc[nH]1)C1CC1 ZINC000287693912 386142077 /nfs/dbraw/zinc/14/20/77/386142077.db2.gz ZONXIMZJPVYHLY-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN C[C@@H](CN1CCOCC1)N(C)CC1(CO)CC1 ZINC000190028913 386143229 /nfs/dbraw/zinc/14/32/29/386143229.db2.gz VWQSHQGLCXEFRC-LBPRGKRZSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@H](NC(=O)[C@]1(C)CCCCN1)c1ncon1 ZINC000125487460 386259433 /nfs/dbraw/zinc/25/94/33/386259433.db2.gz NOJYYOMFEIQLJH-KWQFWETISA-N 0 3 238.291 0.779 20 0 BCADHN CCCNS(=O)(=O)NC[C@H]1CCCN1CC ZINC000408356362 386205776 /nfs/dbraw/zinc/20/57/76/386205776.db2.gz FDHISYRLIHNPNW-SNVBAGLBSA-N 0 3 249.380 0.305 20 0 BCADHN Cn1cncc1CN1CCC[C@H](C(N)=O)C1 ZINC000408402257 386210231 /nfs/dbraw/zinc/21/02/31/386210231.db2.gz KXMGCVQCRDBSKP-VIFPVBQESA-N 0 3 222.292 0.117 20 0 BCADHN CCOCCN1CCC[C@H](C(=O)OC)C1 ZINC000097989602 386210461 /nfs/dbraw/zinc/21/04/61/386210461.db2.gz ZXWMTZOVWAPCPM-JTQLQIEISA-N 0 3 215.293 0.908 20 0 BCADHN COC(=O)C1(CN2CCN(C)CC2(C)C)CC1 ZINC000340286530 386212127 /nfs/dbraw/zinc/21/21/27/386212127.db2.gz UYAXAUMMAPYQSD-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CCC[C@H](O)CN(C)CCn1cccn1 ZINC000297472540 386259749 /nfs/dbraw/zinc/25/97/49/386259749.db2.gz LABASVPOBDXWPW-NSHDSACASA-N 0 3 211.309 0.976 20 0 BCADHN CC(C)N1CC[C@H](N2C[C@H](C)C[C@H](O)C2)C1=O ZINC000452064505 386220006 /nfs/dbraw/zinc/22/00/06/386220006.db2.gz FNDSGGBIUNEWQF-WOPDTQHZSA-N 0 3 240.347 0.698 20 0 BCADHN CCS(=O)(=O)NCCN1C[C@H](C)C[C@H]1C ZINC000336649098 386260093 /nfs/dbraw/zinc/26/00/93/386260093.db2.gz QIAQQQINGREFFG-NXEZZACHSA-N 0 3 234.365 0.656 20 0 BCADHN CC(C)[C@@H](O)CN(CC(N)=O)C(C)(C)C ZINC000340291176 386223580 /nfs/dbraw/zinc/22/35/80/386223580.db2.gz UWYODWGIHCQJIR-VIFPVBQESA-N 0 3 216.325 0.589 20 0 BCADHN C[C@H](NC(=O)c1cn(C)nn1)C1=CCN(C)CC1 ZINC000288645197 386225589 /nfs/dbraw/zinc/22/55/89/386225589.db2.gz DEZDJSVHMHDFPO-VIFPVBQESA-N 0 3 249.318 0.195 20 0 BCADHN COC(=O)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC000132185673 386226603 /nfs/dbraw/zinc/22/66/03/386226603.db2.gz LLTOLMAITAJOMZ-IUCAKERBSA-N 0 3 230.308 0.250 20 0 BCADHN CCN(CC)CC(=O)NCCc1nnc(C)[nH]1 ZINC000264367198 386229805 /nfs/dbraw/zinc/22/98/05/386229805.db2.gz UCRMRCMPTDWXSZ-UHFFFAOYSA-N 0 3 239.323 0.114 20 0 BCADHN CC[C@H](O)CN1C[C@H](C)N(C)C[C@@H]1C ZINC000339061390 386230332 /nfs/dbraw/zinc/23/03/32/386230332.db2.gz JGKYPQOLWTZUED-DCAQKATOSA-N 0 3 200.326 0.782 20 0 BCADHN CCN(C)CCNC(=O)c1ccc2n[nH]nc2n1 ZINC000416162284 386231168 /nfs/dbraw/zinc/23/11/68/386231168.db2.gz UQKJZGLOGUUIBW-UHFFFAOYSA-N 0 3 248.290 0.034 20 0 BCADHN CN(C)C[C@@H]1CN([C@H]2CCOC2)CCO1 ZINC000336642512 386245339 /nfs/dbraw/zinc/24/53/39/386245339.db2.gz AAOIECZBEKZKQZ-WDEREUQCSA-N 0 3 214.309 0.038 20 0 BCADHN CN(CCn1cccn1)[C@H]1CCCOC1 ZINC000336642546 386246036 /nfs/dbraw/zinc/24/60/36/386246036.db2.gz ADOJXWRDHBKHDU-NSHDSACASA-N 0 3 209.293 0.994 20 0 BCADHN Cc1cnn(C)c1CN1CCC[C@@H](CO)C1 ZINC000288977935 386246671 /nfs/dbraw/zinc/24/66/71/386246671.db2.gz CFTODFDBBOYDCO-LLVKDONJSA-N 0 3 223.320 0.933 20 0 BCADHN CC[C@@H]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000638355301 386247898 /nfs/dbraw/zinc/24/78/98/386247898.db2.gz HXIJHMGUAXTUNZ-ZRUFSTJUSA-N 0 3 242.319 0.176 20 0 BCADHN CNS(=O)(=O)C[C@@H]1CCCN1CC(C)C ZINC000336643539 386248355 /nfs/dbraw/zinc/24/83/55/386248355.db2.gz CUHHXPRQOQNLLU-JTQLQIEISA-N 0 3 234.365 0.656 20 0 BCADHN COC[C@H](NC(=O)[C@H](N)CCSC)C1CC1 ZINC000125386540 386249688 /nfs/dbraw/zinc/24/96/88/386249688.db2.gz HALJEOJWJJRAQS-ZJUUUORDSA-N 0 3 246.376 0.608 20 0 BCADHN c1n[nH]nc1CCN1CCCSCC1 ZINC000647969892 386251130 /nfs/dbraw/zinc/25/11/30/386251130.db2.gz WZLHLXAEZRCDHK-UHFFFAOYSA-N 0 3 212.322 0.786 20 0 BCADHN C[C@@H]1SCCN(CCOCCO)[C@H]1C ZINC000125398970 386251435 /nfs/dbraw/zinc/25/14/35/386251435.db2.gz FGICWZIZLALLTO-UWVGGRQHSA-N 0 3 219.350 0.821 20 0 BCADHN C[C@@H]1[C@H](C)SCCN1CCOCCO ZINC000125398723 386252103 /nfs/dbraw/zinc/25/21/03/386252103.db2.gz FGICWZIZLALLTO-ZJUUUORDSA-N 0 3 219.350 0.821 20 0 BCADHN Cn1cncc1CCN(CCO)C1CC1 ZINC000289017131 386252488 /nfs/dbraw/zinc/25/24/88/386252488.db2.gz AJYQMUIEDGVYDP-UHFFFAOYSA-N 0 3 209.293 0.419 20 0 BCADHN CNS(=O)(=O)CCCN(C)C1CC1 ZINC000336645101 386252946 /nfs/dbraw/zinc/25/29/46/386252946.db2.gz UZNYASUDYQPAJX-UHFFFAOYSA-N 0 3 206.311 0.020 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CCSC1)N(C)C ZINC000338965028 386192214 /nfs/dbraw/zinc/19/22/14/386192214.db2.gz FRBYXRROYYVDTA-IUCAKERBSA-N 0 3 216.350 0.948 20 0 BCADHN C[C@H](CNC(=O)COc1cccnc1)N(C)C ZINC000263934695 386194378 /nfs/dbraw/zinc/19/43/78/386194378.db2.gz DZCRPMCWTFFTHZ-SNVBAGLBSA-N 0 3 237.303 0.527 20 0 BCADHN C[C@H](O)CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000338981225 386195172 /nfs/dbraw/zinc/19/51/72/386195172.db2.gz GEXXPLQYMXHSBD-FXQIFTODSA-N 0 3 227.226 0.755 20 0 BCADHN C[C@@H](NC(=O)[C@H]1CCCCN1)c1ncon1 ZINC000125488827 386259121 /nfs/dbraw/zinc/25/91/21/386259121.db2.gz RVPVHTOLCRIGID-HTQZYQBOSA-N 0 3 224.264 0.389 20 0 BCADHN Cc1nccc(NC(=O)N2CC[C@@H](N(C)C)C2)n1 ZINC000408352693 386197600 /nfs/dbraw/zinc/19/76/00/386197600.db2.gz TZUADVAVPKAUSZ-SNVBAGLBSA-N 0 3 249.318 0.953 20 0 BCADHN CN(C)C/C=C/C(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000296786620 386199946 /nfs/dbraw/zinc/19/99/46/386199946.db2.gz FCQAREYRQVELBH-WTSWQZHKSA-N 0 3 218.247 0.623 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000347200561 386281308 /nfs/dbraw/zinc/28/13/08/386281308.db2.gz JTGOCXHHSRBXQX-DJLDLDEBSA-N 0 3 228.292 0.134 20 0 BCADHN C[C@@H](O)CN1CCC(O[C@H]2CCOC2)CC1 ZINC000336662472 386281812 /nfs/dbraw/zinc/28/18/12/386281812.db2.gz ORVRYZHUHUKKNH-PWSUYJOCSA-N 0 3 229.320 0.637 20 0 BCADHN CN(CCN1CCCC1)Cc1cn(C)nn1 ZINC000336662980 386282263 /nfs/dbraw/zinc/28/22/63/386282263.db2.gz DHJWQQJILYUNRE-UHFFFAOYSA-N 0 3 223.324 0.343 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H](C(=O)OC)[C@@H]1C ZINC000347200576 386282576 /nfs/dbraw/zinc/28/25/76/386282576.db2.gz JTGOCXHHSRBXQX-XHNCKOQMSA-N 0 3 228.292 0.134 20 0 BCADHN C[C@@H](O)CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000336662473 386283078 /nfs/dbraw/zinc/28/30/78/386283078.db2.gz ORVRYZHUHUKKNH-ZYHUDNBSSA-N 0 3 229.320 0.637 20 0 BCADHN CO[C@@H]1CN([C@@H]2CCCNC2=O)CC[C@H]1C ZINC000336662948 386283181 /nfs/dbraw/zinc/28/31/81/386283181.db2.gz CWWXATIMSARMDL-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@@]1(C)CCCN(C[C@@H]2COCCO2)C1 ZINC000336663920 386284149 /nfs/dbraw/zinc/28/41/49/386284149.db2.gz XXJHXFVRSHGFTA-NEPJUHHUSA-N 0 3 229.320 0.903 20 0 BCADHN Cc1ncc(CNCCCOCCO)cn1 ZINC000336743080 386284902 /nfs/dbraw/zinc/28/49/02/386284902.db2.gz STNWGPKYOSNKSF-UHFFFAOYSA-N 0 3 225.292 0.274 20 0 BCADHN COCC(C)(C)N1CCN(C[C@H](C)O)CC1 ZINC000425505564 386285201 /nfs/dbraw/zinc/28/52/01/386285201.db2.gz OBLYYJSJGWOJEX-NSHDSACASA-N 0 3 230.352 0.410 20 0 BCADHN CC1(C(=O)NCC2CCN(CCO)CC2)CC1 ZINC000133005625 386285401 /nfs/dbraw/zinc/28/54/01/386285401.db2.gz OYOXRBUOJBAAKH-UHFFFAOYSA-N 0 3 240.347 0.607 20 0 BCADHN CCC(=O)N1CCN(CCN2CCCCC2)C1 ZINC000425506512 386285651 /nfs/dbraw/zinc/28/56/51/386285651.db2.gz DGMDAGVPQWMODJ-UHFFFAOYSA-N 0 3 239.363 0.984 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@@H]1CCCN1C ZINC000339191633 386285766 /nfs/dbraw/zinc/28/57/66/386285766.db2.gz WDNWDBFPHUKDOY-SRVKXCTJSA-N 0 3 240.347 0.700 20 0 BCADHN COC(C)(C)CNC(=O)C[C@@H]1CSCCN1 ZINC000133505163 386324300 /nfs/dbraw/zinc/32/43/00/386324300.db2.gz GEQYNGSYFCJIQW-SECBINFHSA-N 0 3 246.376 0.623 20 0 BCADHN CN(C)CCN(C)C(=O)c1cnn(CCF)c1 ZINC000289341389 386288623 /nfs/dbraw/zinc/28/86/23/386288623.db2.gz ZLWCTABYMPOENT-UHFFFAOYSA-N 0 3 242.298 0.486 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@@H](CO)C(C)(C)C ZINC000309618908 386289819 /nfs/dbraw/zinc/28/98/19/386289819.db2.gz CRTZWQCKSLUEPH-UWVGGRQHSA-N 0 3 230.352 0.898 20 0 BCADHN Cc1cncc(CN(C[C@@H](C)O)[C@H](C)CO)c1 ZINC000276238613 386289901 /nfs/dbraw/zinc/28/99/01/386289901.db2.gz UKWYGSHWVGWVLA-VXGBXAGGSA-N 0 3 238.331 0.954 20 0 BCADHN CCN(CCCO)[C@H]1CCN(C2CC2)C1=O ZINC000336665435 386290907 /nfs/dbraw/zinc/29/09/07/386290907.db2.gz FTHAIEVKOWLDGO-NSHDSACASA-N 0 3 226.320 0.454 20 0 BCADHN COC[C@@H](C)N1CCC(O)(COC)CC1 ZINC000336665919 386291162 /nfs/dbraw/zinc/29/11/62/386291162.db2.gz VLJARVNKSKQFJB-SNVBAGLBSA-N 0 3 217.309 0.495 20 0 BCADHN Cn1nccc1CNCCN1CCCOCC1 ZINC000289404716 386298810 /nfs/dbraw/zinc/29/88/10/386298810.db2.gz GYRBSCVIWQFVAN-UHFFFAOYSA-N 0 3 238.335 0.232 20 0 BCADHN CCOCCN(C)C[C@H](O)CSC ZINC000188203564 386299217 /nfs/dbraw/zinc/29/92/17/386299217.db2.gz MYFXSKDKYRSTQI-VIFPVBQESA-N 0 3 207.339 0.679 20 0 BCADHN C[C@H](C(=O)NC(C)(C)C)N(C)CC1CC(O)C1 ZINC000091489309 386299603 /nfs/dbraw/zinc/29/96/03/386299603.db2.gz SUKDTAHJAMNDLE-KPPDAEKUSA-N 0 3 242.363 0.992 20 0 BCADHN CCC1CCN(CCS(=O)(=O)N(C)C)CC1 ZINC000336661382 386299983 /nfs/dbraw/zinc/29/99/83/386299983.db2.gz OBBNICXMJRQWAI-UHFFFAOYSA-N 0 3 248.392 1.000 20 0 BCADHN Cc1cnn([C@@H]2CCN(CCOCCO)C2)c1 ZINC000289413117 386301449 /nfs/dbraw/zinc/30/14/49/386301449.db2.gz ALLRLAGWMYRKGQ-GFCCVEGCSA-N 0 3 239.319 0.447 20 0 BCADHN CO[C@@H](C)CN1CCSC[C@H]1CCO ZINC000336672281 386303191 /nfs/dbraw/zinc/30/31/91/386303191.db2.gz LWGGBDOLPNIALF-VHSXEESVSA-N 0 3 219.350 0.821 20 0 BCADHN CCN(CCO)[C@H]1CCCN(C(C)C)C1=O ZINC000336672403 386304229 /nfs/dbraw/zinc/30/42/29/386304229.db2.gz KFFQKBPTZDRXBL-NSHDSACASA-N 0 3 228.336 0.700 20 0 BCADHN CCn1cc(CN[C@H]2CNCCC2(F)F)cn1 ZINC000415005768 386305599 /nfs/dbraw/zinc/30/55/99/386305599.db2.gz RWTXXKORXUTRPE-JTQLQIEISA-N 0 3 244.289 0.990 20 0 BCADHN C[C@H](O)CCN1CCSC[C@H]1CCO ZINC000336673729 386306349 /nfs/dbraw/zinc/30/63/49/386306349.db2.gz PUXVUASLAHZHKO-VHSXEESVSA-N 0 3 219.350 0.557 20 0 BCADHN CCN(CCN1CCCCCC1)CC(=O)NC ZINC000347304478 386307151 /nfs/dbraw/zinc/30/71/51/386307151.db2.gz HCEKRSADMDXXND-UHFFFAOYSA-N 0 3 241.379 0.930 20 0 BCADHN COC1(C)CCN(CCn2cncn2)CC1 ZINC000336674312 386309027 /nfs/dbraw/zinc/30/90/27/386309027.db2.gz UMIYEVHALNUUHE-UHFFFAOYSA-N 0 3 224.308 0.779 20 0 BCADHN CCN(C[C@H]1COCCO1)[C@@H]1CCOC1 ZINC000336676254 386324965 /nfs/dbraw/zinc/32/49/65/386324965.db2.gz HMJLQXDVUPHPIC-MNOVXSKESA-N 0 3 215.293 0.513 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1CCOCCO ZINC000336668876 386309644 /nfs/dbraw/zinc/30/96/44/386309644.db2.gz HLGKTYRXUDDGML-LBPRGKRZSA-N 0 3 230.352 0.267 20 0 BCADHN CC[C@@H](O)CN1CCC[C@@H](n2ccnn2)C1 ZINC000425519674 386310052 /nfs/dbraw/zinc/31/00/52/386310052.db2.gz XGVBLHGPPFTWIL-GHMZBOCLSA-N 0 3 224.308 0.686 20 0 BCADHN COC(=O)CCNC(=O)CN(C)CC(C)(C)C ZINC000339253305 386325017 /nfs/dbraw/zinc/32/50/17/386325017.db2.gz KKSKWQMLZCCDFX-UHFFFAOYSA-N 0 3 244.335 0.644 20 0 BCADHN C[NH+](C)C/C=C/C(=O)[N-]OC[C@H]1CCOC1 ZINC000276367905 386311391 /nfs/dbraw/zinc/31/13/91/386311391.db2.gz BGRXLFIRUMABHV-FSIBCCDJSA-N 0 3 228.292 0.189 20 0 BCADHN CN(C)C/C=C/C(=O)NOC[C@H]1CCOC1 ZINC000276367905 386311398 /nfs/dbraw/zinc/31/13/98/386311398.db2.gz BGRXLFIRUMABHV-FSIBCCDJSA-N 0 3 228.292 0.189 20 0 BCADHN Cc1nocc1CNCCN1CCOC[C@@H]1C ZINC000339234270 386311587 /nfs/dbraw/zinc/31/15/87/386311587.db2.gz NJUMDCXCOHUVIJ-JTQLQIEISA-N 0 3 239.319 0.793 20 0 BCADHN CCC[C@H](N)C(=O)N(CC)Cc1cnn(C)c1 ZINC000236793044 386312220 /nfs/dbraw/zinc/31/22/20/386312220.db2.gz NBQBUVPLWXAIIK-NSHDSACASA-N 0 3 238.335 0.896 20 0 BCADHN CSCCN(C)CCN1CCCC1=O ZINC000336670561 386314981 /nfs/dbraw/zinc/31/49/81/386314981.db2.gz HQCBFDKZBHCPRS-UHFFFAOYSA-N 0 3 216.350 0.904 20 0 BCADHN COCCNCCNC(=O)N[C@H](C)C1CC1 ZINC000416439874 386316871 /nfs/dbraw/zinc/31/68/71/386316871.db2.gz REJMZUOXKBGXQH-SECBINFHSA-N 0 3 229.324 0.320 20 0 BCADHN Cc1cc(CN[C@@H]2CNCCC2(F)F)nn1C ZINC000415006311 386317056 /nfs/dbraw/zinc/31/70/56/386317056.db2.gz SUAAJMMQOMCQGZ-SNVBAGLBSA-N 0 3 244.289 0.815 20 0 BCADHN CC(C)(C)OCCN1[C@@H](CO)CC[C@H]1CO ZINC000347281873 386317700 /nfs/dbraw/zinc/31/77/00/386317700.db2.gz VELOFALTWIYAHU-PHIMTYICSA-N 0 3 231.336 0.619 20 0 BCADHN CCC[C@H](N)C(=O)NCC(=O)Nc1ccccc1 ZINC000236844423 386318056 /nfs/dbraw/zinc/31/80/56/386318056.db2.gz DAVZDBOKFIMYFN-NSHDSACASA-N 0 3 249.314 0.869 20 0 BCADHN CC(C)(C)OCCN1[C@H](CO)CC[C@H]1CO ZINC000347281875 386318479 /nfs/dbraw/zinc/31/84/79/386318479.db2.gz VELOFALTWIYAHU-QWRGUYRKSA-N 0 3 231.336 0.619 20 0 BCADHN C[C@@H](CN1CCC[C@H]1CCO)CS(C)(=O)=O ZINC000336678923 386319799 /nfs/dbraw/zinc/31/97/99/386319799.db2.gz WTHAHMBVPSYVRE-QWRGUYRKSA-N 0 3 249.376 0.514 20 0 BCADHN C[C@@H](O)CCN(C)CCc1cncn1C ZINC000289510069 386320405 /nfs/dbraw/zinc/32/04/05/386320405.db2.gz FJMVGLFRWIXRJF-SNVBAGLBSA-N 0 3 211.309 0.665 20 0 BCADHN c1cn([C@H]2CCCN([C@H]3CCOC3)C2)nn1 ZINC000425520167 386320743 /nfs/dbraw/zinc/32/07/43/386320743.db2.gz XKBNGDYKNNDDBG-QWRGUYRKSA-N 0 3 222.292 0.704 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)NCCN(C)CCOC ZINC000339248367 386323064 /nfs/dbraw/zinc/32/30/64/386323064.db2.gz JLNQJNABLWUWNE-WDEREUQCSA-N 0 3 244.335 0.106 20 0 BCADHN CO[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000336650905 386263313 /nfs/dbraw/zinc/26/33/13/386263313.db2.gz UHOQPXYFNKYRFS-LLVKDONJSA-N 0 3 214.309 0.039 20 0 BCADHN CO[C@H]1CCN(CCN2CCOCC2)C1 ZINC000336650906 386263603 /nfs/dbraw/zinc/26/36/03/386263603.db2.gz UHOQPXYFNKYRFS-NSHDSACASA-N 0 3 214.309 0.039 20 0 BCADHN CS[C@H](C)C(=O)NCC1(N(C)C)CC1 ZINC000416298634 386264465 /nfs/dbraw/zinc/26/44/65/386264465.db2.gz DEPNIDUOMLDCRC-MRVPVSSYSA-N 0 3 216.350 0.948 20 0 BCADHN COc1ncccc1C(=O)NCC1(N(C)C)CC1 ZINC000416297510 386264513 /nfs/dbraw/zinc/26/45/13/386264513.db2.gz AIVQBUOZIBXIEC-UHFFFAOYSA-N 0 3 249.314 0.914 20 0 BCADHN CN(C)C1(CNC(=O)CC2(O)CCCC2)CC1 ZINC000416299756 386264674 /nfs/dbraw/zinc/26/46/74/386264674.db2.gz GOUFDAYBTCRDSL-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN CSCC(=O)NCC1(N(C)C)CC1 ZINC000416294450 386264910 /nfs/dbraw/zinc/26/49/10/386264910.db2.gz YFZZEZCTBCRGSS-UHFFFAOYSA-N 0 3 202.323 0.560 20 0 BCADHN C[C@@H]1CN(C(=O)N[C@H]2CCCOC2)[C@@H](C)CN1 ZINC000417521997 386266378 /nfs/dbraw/zinc/26/63/78/386266378.db2.gz GMAWPTCNRFNSEO-VWYCJHECSA-N 0 3 241.335 0.557 20 0 BCADHN CSCCC(=O)N[C@H](C)CN(C)C ZINC000336651845 386266760 /nfs/dbraw/zinc/26/67/60/386266760.db2.gz KADVBHVWVJGLMX-MRVPVSSYSA-N 0 3 204.339 0.806 20 0 BCADHN CN(C)C1(CNC(=O)c2cc(F)c[nH]2)CC1 ZINC000416306704 386267267 /nfs/dbraw/zinc/26/72/67/386267267.db2.gz HFVCGQALXQTHCH-UHFFFAOYSA-N 0 3 225.267 0.978 20 0 BCADHN CN(C)C1(CNC(=O)C[C@@](C)(O)C2CC2)CC1 ZINC000416305631 386267758 /nfs/dbraw/zinc/26/77/58/386267758.db2.gz BQLDRYHCVAMESV-GFCCVEGCSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1ncc(C(=O)NCCN(C)C2CC2)[nH]1 ZINC000264726994 386268128 /nfs/dbraw/zinc/26/81/28/386268128.db2.gz PZQKEENBNURJOD-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN Cc1[nH]nc(C(=O)NCC2(N(C)C)CC2)c1C ZINC000416304364 386268218 /nfs/dbraw/zinc/26/82/18/386268218.db2.gz UQXWTIHOIDOMEQ-UHFFFAOYSA-N 0 3 236.319 0.851 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000416308883 386269828 /nfs/dbraw/zinc/26/98/28/386269828.db2.gz SFUDTOMCEXXGCI-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)C[C@@H]1COCCO1 ZINC000336676323 386323922 /nfs/dbraw/zinc/32/39/22/386323922.db2.gz NCQVZGNOIBJHGY-TUAOUCFPSA-N 0 3 229.320 0.495 20 0 BCADHN C[C@@H](O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000276076239 386270778 /nfs/dbraw/zinc/27/07/78/386270778.db2.gz NPZIABYJWQNAEP-SNVBAGLBSA-N 0 3 236.315 0.745 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)NCC1(N(C)C)CC1 ZINC000416307740 386271194 /nfs/dbraw/zinc/27/11/94/386271194.db2.gz MGWFXDZGDSFCSS-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1cc(C(=O)NC2CCN(C)CC2)cnn1 ZINC000276082692 386271220 /nfs/dbraw/zinc/27/12/20/386271220.db2.gz OIEGEDKBGBDOLH-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN CN(C)C1(CNC(=O)c2ccsn2)CC1 ZINC000416308992 386271273 /nfs/dbraw/zinc/27/12/73/386271273.db2.gz SZWFLOGRKGTKBU-UHFFFAOYSA-N 0 3 225.317 0.967 20 0 BCADHN CN(CCOCCO)CCOC1CCC1 ZINC000347182459 386272084 /nfs/dbraw/zinc/27/20/84/386272084.db2.gz LDDNTYSFWMGKPA-UHFFFAOYSA-N 0 3 217.309 0.496 20 0 BCADHN CN(C)C1(CNC(=O)[C@H]2CC2(F)F)CC1 ZINC000416309766 386273317 /nfs/dbraw/zinc/27/33/17/386273317.db2.gz XJFWJFLPURBGED-SSDOTTSWSA-N 0 3 218.247 0.852 20 0 BCADHN CCN(C)CCNC(=O)c1ccc(C(C)=O)[nH]1 ZINC000340308074 386273328 /nfs/dbraw/zinc/27/33/28/386273328.db2.gz WJJRKWBKWILZJL-UHFFFAOYSA-N 0 3 237.303 0.899 20 0 BCADHN COC(C)(C)CCN(C)[C@H]1CCN(C)C1=O ZINC000336661840 386279615 /nfs/dbraw/zinc/27/96/15/386279615.db2.gz ALXBINFRHZPPBF-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CC[C@H](C)O2)C[C@@H]1OC ZINC000336661777 386280078 /nfs/dbraw/zinc/28/00/78/386280078.db2.gz AGUUCANYFHTXFV-FIQHERPVSA-N 0 3 229.320 0.900 20 0 BCADHN CCN(C)CCNC(=O)[C@@H](O)c1cccnc1 ZINC000265440337 386339715 /nfs/dbraw/zinc/33/97/15/386339715.db2.gz UPDDMWQKTYVWNZ-NSHDSACASA-N 0 3 237.303 0.183 20 0 BCADHN Cc1nonc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000265521425 386346716 /nfs/dbraw/zinc/34/67/16/386346716.db2.gz HZDAQRXKHMVZIJ-SSDOTTSWSA-N 0 3 238.291 0.591 20 0 BCADHN Cc1cnn(CCN2[C@@H](CO)CC[C@H]2CO)c1 ZINC000347306831 386348765 /nfs/dbraw/zinc/34/87/65/386348765.db2.gz JMMNQVDJHPEHMU-TXEJJXNPSA-N 0 3 239.319 0.009 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)/C=C/CN(C)C ZINC000265600450 386350041 /nfs/dbraw/zinc/35/00/41/386350041.db2.gz CCTNBIKUNCXSJS-VUHVRTRXSA-N 0 3 228.292 0.030 20 0 BCADHN c1ncn(CCN2CC[C@]3(CCOC3)C2)n1 ZINC000336687744 386351035 /nfs/dbraw/zinc/35/10/35/386351035.db2.gz XQQOXBDOSVOWSY-NSHDSACASA-N 0 3 222.292 0.391 20 0 BCADHN C[C@@H](O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000276598029 386351234 /nfs/dbraw/zinc/35/12/34/386351234.db2.gz XMHQWONHLRFBKH-SNVBAGLBSA-N 0 3 240.303 0.551 20 0 BCADHN CCOC(=O)CCCN1[C@@H](CO)CC[C@@H]1CO ZINC000347309029 386351339 /nfs/dbraw/zinc/35/13/39/386351339.db2.gz OBBFSJMJVDAHGH-GHMZBOCLSA-N 0 3 245.319 0.147 20 0 BCADHN COCCn1cc(CN(C)CCCCO)cn1 ZINC000276607657 386351534 /nfs/dbraw/zinc/35/15/34/386351534.db2.gz GFWULFOFTCGRKS-UHFFFAOYSA-N 0 3 241.335 0.734 20 0 BCADHN COC(=O)[C@@H](NC(=O)/C=C/CN(C)C)C(C)C ZINC000265622065 386352181 /nfs/dbraw/zinc/35/21/81/386352181.db2.gz HOVGDPDXHAMCJA-MLRMMBSGSA-N 0 3 242.319 0.418 20 0 BCADHN COC[C@H]1CCN1C[C@H](O)COC(C)C ZINC000339283475 386354053 /nfs/dbraw/zinc/35/40/53/386354053.db2.gz VKTGHYGAYKHSEO-MNOVXSKESA-N 0 3 217.309 0.493 20 0 BCADHN C[C@@H](C(=O)N(C)C)N(C)[C@@H]1CCC[C@H]1O ZINC000511565619 533166305 /nfs/dbraw/zinc/16/63/05/533166305.db2.gz KMIYNEAXKGHRAY-IVZWLZJFSA-N 0 3 214.309 0.308 20 0 BCADHN C[C@@H](O)CCN1CC[C@@H](N2CCCC2=O)C1 ZINC000336685444 386357364 /nfs/dbraw/zinc/35/73/64/386357364.db2.gz VHKZXHIALKETPA-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@@H](NCC(=O)NCC(F)(F)F)[C@H](C)CO ZINC000164894295 386357472 /nfs/dbraw/zinc/35/74/72/386357472.db2.gz NNWUUNBNEAPLMP-RNFRBKRXSA-N 0 3 242.241 0.271 20 0 BCADHN CO[C@H](CN)C(=O)NCC1(c2ccccc2)CC1 ZINC000289802127 386358272 /nfs/dbraw/zinc/35/82/72/386358272.db2.gz ZFDKFMUCVABDAY-GFCCVEGCSA-N 0 3 248.326 0.808 20 0 BCADHN C[C@H](O)CCN1CC[C@H](N2CCCC2=O)C1 ZINC000336685446 386358568 /nfs/dbraw/zinc/35/85/68/386358568.db2.gz VHKZXHIALKETPA-QWRGUYRKSA-N 0 3 226.320 0.454 20 0 BCADHN CN(C)[C@@H](CNC(=O)CN)c1ccc(F)cc1 ZINC000237136722 386359598 /nfs/dbraw/zinc/35/95/98/386359598.db2.gz RUMXGRHLVRJILD-NSHDSACASA-N 0 3 239.294 0.503 20 0 BCADHN CO[C@H]1CCCN(C(=O)/C=C/CN(C)C)C1 ZINC000265690396 386359633 /nfs/dbraw/zinc/35/96/33/386359633.db2.gz MYSFMELRDOZGRG-ZRQQLDRUSA-N 0 3 226.320 0.742 20 0 BCADHN CCCC(=O)NCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000356346029 386361296 /nfs/dbraw/zinc/36/12/96/386361296.db2.gz MXJMMDRIARNXQL-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN O=C1C[C@H]2CC[C@@H](CN1)N2CCOCC1CC1 ZINC000336692581 386362069 /nfs/dbraw/zinc/36/20/69/386362069.db2.gz IKVWODJIEHDEBH-NEPJUHHUSA-N 0 3 238.331 0.766 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C(=O)/C=C/CN(C)C ZINC000265700309 386362830 /nfs/dbraw/zinc/36/28/30/386362830.db2.gz QLJFAZMQDNVSQR-FGEFZZPRSA-N 0 3 242.319 0.372 20 0 BCADHN CCC[C@H](N)C(=O)N(C)CCc1cnccn1 ZINC000262576138 386364364 /nfs/dbraw/zinc/36/43/64/386364364.db2.gz OIXJZAMDCJIBGA-NSHDSACASA-N 0 3 236.319 0.605 20 0 BCADHN Cc1cnn([C@H]2CCN(C[C@@H](C)O)C2)c1 ZINC000289853412 386364679 /nfs/dbraw/zinc/36/46/79/386364679.db2.gz KUJJBAXKNCFMFS-MNOVXSKESA-N 0 3 209.293 0.819 20 0 BCADHN C[C@H]1OCC[C@H]1NCC(=O)NCC(F)F ZINC000336774775 386366690 /nfs/dbraw/zinc/36/66/90/386366690.db2.gz ZRCMUFRWBFRGPL-RNFRBKRXSA-N 0 3 222.235 0.135 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)[C@@H](N)CC(F)F ZINC000308466509 386368710 /nfs/dbraw/zinc/36/87/10/386368710.db2.gz HJRHXWSMGYEYDI-VQVTYTSYSA-N 0 3 206.236 0.741 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccccc1N1CCOC1=O ZINC000237319814 386370758 /nfs/dbraw/zinc/37/07/58/386370758.db2.gz HBXHCFQYXPFHRS-MRVPVSSYSA-N 0 3 249.270 0.929 20 0 BCADHN COC[C@H]1CCN(Cc2cnn(C)c2)C1 ZINC000265803975 386373613 /nfs/dbraw/zinc/37/36/13/386373613.db2.gz ONGFABHQRQSMMF-JTQLQIEISA-N 0 3 209.293 0.888 20 0 BCADHN Cc1nn(C)cc1CN1C[C@H](O)C[C@H]1C ZINC000334495317 386375879 /nfs/dbraw/zinc/37/58/79/386375879.db2.gz LEEIBKLYAPWEBJ-LDYMZIIASA-N 0 3 209.293 0.684 20 0 BCADHN C[C@@H]1C[C@@H](C)N1CCN1C(=O)CNC1=O ZINC000334495692 386376343 /nfs/dbraw/zinc/37/63/43/386376343.db2.gz OMDRPYNQDQPMET-HTQZYQBOSA-N 0 3 211.265 0.021 20 0 BCADHN C[C@H](CNC(=O)CN)Oc1ccccc1F ZINC000237402920 386376841 /nfs/dbraw/zinc/37/68/41/386376841.db2.gz GQLZBJJIDATUQY-MRVPVSSYSA-N 0 3 226.251 0.668 20 0 BCADHN CO[C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC000347387463 386376736 /nfs/dbraw/zinc/37/67/36/386376736.db2.gz ZYDIKGIOBUUCFG-NXEZZACHSA-N 0 3 216.325 0.866 20 0 BCADHN C[C@H](O)CCCN1CCSC[C@@H]1CCO ZINC000336696779 386377050 /nfs/dbraw/zinc/37/70/50/386377050.db2.gz OHUXFUVFFXOKRD-QWRGUYRKSA-N 0 3 233.377 0.947 20 0 BCADHN CN(CCN1CCOCC1)CC1(C)COC1 ZINC000336696784 386377358 /nfs/dbraw/zinc/37/73/58/386377358.db2.gz GVWWSQZIOODMLN-UHFFFAOYSA-N 0 3 228.336 0.287 20 0 BCADHN Cn1nccc1CCN1CCN(C2CC2)CC1 ZINC000336696263 386377700 /nfs/dbraw/zinc/37/77/00/386377700.db2.gz QSXOYGSWPFIVPF-UHFFFAOYSA-N 0 3 234.347 0.743 20 0 BCADHN CO[C@H](CNC(=O)[C@]1(F)CCNC1)C(C)C ZINC000366349907 386381190 /nfs/dbraw/zinc/38/11/90/386381190.db2.gz YKHUKZDGWGBOMU-KOLCDFICSA-N 0 3 232.299 0.475 20 0 BCADHN Cn1cc(C(=O)NC[C@@H]2CCN(C3CC3)C2)nn1 ZINC000289997013 386382730 /nfs/dbraw/zinc/38/27/30/386382730.db2.gz UMPQQNJFFXQLJQ-VIFPVBQESA-N 0 3 249.318 0.029 20 0 BCADHN CCN(CCNC(=O)c1cn(C)nn1)C1CC1 ZINC000290003531 386382949 /nfs/dbraw/zinc/38/29/49/386382949.db2.gz VHJFYJNBGSHVPP-UHFFFAOYSA-N 0 3 237.307 0.029 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cccc2[nH]cnc21 ZINC000290018992 386384841 /nfs/dbraw/zinc/38/48/41/386384841.db2.gz QVTYXERIANRYCJ-VIFPVBQESA-N 0 3 234.259 0.475 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H](C)Cn1ccnc1 ZINC000236908022 386326069 /nfs/dbraw/zinc/32/60/69/386326069.db2.gz LBVXRKSMTZVEIW-UWVGGRQHSA-N 0 3 224.308 0.373 20 0 BCADHN CNS(=O)(=O)CCCN1CC[C@@H](C)C1 ZINC000336675907 386326121 /nfs/dbraw/zinc/32/61/21/386326121.db2.gz WSUPOZRCHZHHBA-SECBINFHSA-N 0 3 220.338 0.268 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](O)c1ccc(C)cc1 ZINC000236905869 386326361 /nfs/dbraw/zinc/32/63/61/386326361.db2.gz MUEYBCUIHYFORK-NWDGAFQWSA-N 0 3 236.315 0.882 20 0 BCADHN CC(=O)N1CCN(C[C@H]2CCOC2)[C@@H](C)C1 ZINC000335262842 386326546 /nfs/dbraw/zinc/32/65/46/386326546.db2.gz VBYZBQIENLHJRM-CMPLNLGQSA-N 0 3 226.320 0.576 20 0 BCADHN COC(=O)c1cc(CN(C)[C@@H](C)CO)c[nH]1 ZINC000289545691 386326525 /nfs/dbraw/zinc/32/65/25/386326525.db2.gz XEBYUMQVIXKAMQ-QMMMGPOBSA-N 0 3 226.276 0.614 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@@H]1CC[C@H](CO)O1 ZINC000353710937 386327450 /nfs/dbraw/zinc/32/74/50/386327450.db2.gz ULRMLARIHRLNPC-WDEREUQCSA-N 0 3 239.319 0.656 20 0 BCADHN COC[C@@H](N[C@@H]1CCCNC1=O)C1CC1 ZINC000087480056 386328343 /nfs/dbraw/zinc/32/83/43/386328343.db2.gz OQIJEVGRABSDOU-NXEZZACHSA-N 0 3 212.293 0.280 20 0 BCADHN CN(CC(=O)NC(N)=O)CC(C)(C)C ZINC000339254993 386328295 /nfs/dbraw/zinc/32/82/95/386328295.db2.gz HMNAQNLEEWRPDW-UHFFFAOYSA-N 0 3 201.270 0.159 20 0 BCADHN CC[C@@H](C)CS(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000416498474 386329043 /nfs/dbraw/zinc/32/90/43/386329043.db2.gz XMFANPDWRORLDW-GHMZBOCLSA-N 0 3 248.392 0.904 20 0 BCADHN CC(C)CCS(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000416495564 386329642 /nfs/dbraw/zinc/32/96/42/386329642.db2.gz MFGPTPOUGAGFPO-LLVKDONJSA-N 0 3 248.392 0.904 20 0 BCADHN COC[C@@H]1CCN(C[C@@H](C)CS(C)(=O)=O)C1 ZINC000336683837 386329906 /nfs/dbraw/zinc/32/99/06/386329906.db2.gz SVLIUECPPGLVAV-GHMZBOCLSA-N 0 3 249.376 0.635 20 0 BCADHN CC(C)CCS(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000416495565 386330172 /nfs/dbraw/zinc/33/01/72/386330172.db2.gz MFGPTPOUGAGFPO-NSHDSACASA-N 0 3 248.392 0.904 20 0 BCADHN CC[C@H](N)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000236970614 386331136 /nfs/dbraw/zinc/33/11/36/386331136.db2.gz KELPEBYKAYVDHD-NSHDSACASA-N 0 3 245.286 0.943 20 0 BCADHN COC(=O)[C@H](C)CN(C)C[C@@H]1CN(C)C(=O)O1 ZINC000496419140 533169078 /nfs/dbraw/zinc/16/90/78/533169078.db2.gz KGUUUMYDTNSOTG-RKDXNWHRSA-N 0 3 244.291 0.178 20 0 BCADHN CN(C)CC(C)(C)NS(=O)(=O)CCCF ZINC000416506079 386332197 /nfs/dbraw/zinc/33/21/97/386332197.db2.gz DVSHMCBCCHZDAQ-UHFFFAOYSA-N 0 3 240.344 0.606 20 0 BCADHN CCN1C[C@H](N[C@H]2CCO[C@@H]2C)CC1=O ZINC000391473723 386333669 /nfs/dbraw/zinc/33/36/69/386333669.db2.gz ISPUZWMBAWHTHP-BBBLOLIVSA-N 0 3 212.293 0.374 20 0 BCADHN CCS(=O)(=O)NCCN1C[C@H](C)C[C@H](C)C1 ZINC000336680406 386334498 /nfs/dbraw/zinc/33/44/98/386334498.db2.gz PYLPSLOGWDTHDE-PHIMTYICSA-N 0 3 248.392 0.904 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1CC(=O)N(C(C)C)C1 ZINC000289633335 386335093 /nfs/dbraw/zinc/33/50/93/386335093.db2.gz XBVUDDMADQQOQZ-SNVBAGLBSA-N 0 3 236.319 0.817 20 0 BCADHN C[C@H](CNC(=O)c1ccc[nH]c1=O)N(C)C ZINC000298389906 386335640 /nfs/dbraw/zinc/33/56/40/386335640.db2.gz DELKBIOPSLPIOQ-MRVPVSSYSA-N 0 3 223.276 0.467 20 0 BCADHN CCOC(=O)CC(=O)NC[C@@H]1CCCN1CC ZINC000347338560 386335846 /nfs/dbraw/zinc/33/58/46/386335846.db2.gz DYEKVGXBKPVTRL-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN CCOC(=O)CC(=O)NC[C@H]1CCCN1CC ZINC000347338565 386336860 /nfs/dbraw/zinc/33/68/60/386336860.db2.gz DYEKVGXBKPVTRL-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN CN(CCn1cncn1)[C@H]1CCN(C2CC2)C1 ZINC000336717174 386437493 /nfs/dbraw/zinc/43/74/93/386437493.db2.gz WDZSBGTUTUPSPV-LBPRGKRZSA-N 0 3 235.335 0.447 20 0 BCADHN CCN(CCn1cccn1)[C@@H]1CCOC1 ZINC000336718513 386438565 /nfs/dbraw/zinc/43/85/65/386438565.db2.gz YOSIYNDLIYZGMH-LLVKDONJSA-N 0 3 209.293 0.994 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H](CC1CC1)C(=O)OC ZINC000519417832 386441029 /nfs/dbraw/zinc/44/10/29/386441029.db2.gz NVBSGOZODYFOHT-NXEZZACHSA-N 0 3 242.319 0.429 20 0 BCADHN COC[C@@H](NCC1(S(C)(=O)=O)CC1)C1CC1 ZINC000336754175 386441392 /nfs/dbraw/zinc/44/13/92/386441392.db2.gz FMFFCFQQZWFDBE-SNVBAGLBSA-N 0 3 247.360 0.578 20 0 BCADHN C[C@@H]1NCCN(C(=O)/C=C/c2ccnn2C)[C@H]1C ZINC000277509959 386442157 /nfs/dbraw/zinc/44/21/57/386442157.db2.gz QUZHQDBDGFACSP-NNOMMRTBSA-N 0 3 248.330 0.642 20 0 BCADHN OC[C@@H](O)CNCc1cc2c(cccc2F)[nH]1 ZINC000347535680 386443424 /nfs/dbraw/zinc/44/34/24/386443424.db2.gz ZIENQTXEYPYZRG-VIFPVBQESA-N 0 3 238.262 0.750 20 0 BCADHN CN(C)C/C=C/C(=O)NCc1cccn1C ZINC000266501994 386443819 /nfs/dbraw/zinc/44/38/19/386443819.db2.gz XNIPAQBOZJOQDX-FNORWQNLSA-N 0 3 221.304 0.759 20 0 BCADHN CN(CCC(N)=O)Cc1ccc2c(c1)CCO2 ZINC000277563028 386446303 /nfs/dbraw/zinc/44/63/03/386446303.db2.gz UJQNDJVNYBQQDF-UHFFFAOYSA-N 0 3 234.299 0.929 20 0 BCADHN COC[C@H](C)CN(C)[C@@H]1CCNC1=O ZINC000527366489 386446898 /nfs/dbraw/zinc/44/68/98/386446898.db2.gz IMTNIMFPMIONNJ-RKDXNWHRSA-N 0 3 200.282 0.089 20 0 BCADHN Cc1nnc2ccc(NC3CCN(C)CC3)nn12 ZINC000298801371 386388141 /nfs/dbraw/zinc/38/81/41/386388141.db2.gz RHOFYSNHGNHNGD-UHFFFAOYSA-N 0 3 246.318 0.939 20 0 BCADHN COC(=O)[C@@H](C)CN(C)CCc1cncn1C ZINC000290043964 386388281 /nfs/dbraw/zinc/38/82/81/386388281.db2.gz OFSUDQNYDOCGOW-JTQLQIEISA-N 0 3 239.319 0.704 20 0 BCADHN Cc1csc(=O)n1CCN(CCO)C1CC1 ZINC000298841094 386388857 /nfs/dbraw/zinc/38/88/57/386388857.db2.gz AYBFLTZUHKOHER-UHFFFAOYSA-N 0 3 242.344 0.675 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000290077522 386390926 /nfs/dbraw/zinc/39/09/26/386390926.db2.gz 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/nfs/dbraw/zinc/79/15/30/386791530.db2.gz IQDLYQLXDPAMRQ-GFCCVEGCSA-N 0 3 237.303 0.989 20 0 BCADHN CC(C)N(C)C(=O)N[C@@H](C)CN(C)C ZINC000344893009 386791988 /nfs/dbraw/zinc/79/19/88/386791988.db2.gz WINRWTOOHSCSMJ-VIFPVBQESA-N 0 3 201.314 0.986 20 0 BCADHN CC[C@]1(C)COCCN1CCC(=O)N(C)C ZINC000340870108 386792419 /nfs/dbraw/zinc/79/24/19/386792419.db2.gz LPDAQHQILZKVMO-GFCCVEGCSA-N 0 3 228.336 0.966 20 0 BCADHN COCCNCCNC(=O)NCC1(C)CC1 ZINC000417836762 386795263 /nfs/dbraw/zinc/79/52/63/386795263.db2.gz VBZSJTUBGDCWQB-UHFFFAOYSA-N 0 3 229.324 0.322 20 0 BCADHN CCC[C@H](C(=O)NCc1ccn(C)n1)N(C)C ZINC000330561136 386771077 /nfs/dbraw/zinc/77/10/77/386771077.db2.gz JAKQDBYJVGLDSQ-LLVKDONJSA-N 0 3 238.335 0.767 20 0 BCADHN Cc1noc2ncc(NC(=O)C3(N)CC3)cc12 ZINC000269267425 386771623 /nfs/dbraw/zinc/77/16/23/386771623.db2.gz ZXZMIVCRYFGNEY-UHFFFAOYSA-N 0 3 232.243 0.961 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCOC2)CCN1C ZINC000357391134 386771987 /nfs/dbraw/zinc/77/19/87/386771987.db2.gz LMUXMUNTRREPHJ-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCOC2)CCN1C ZINC000357391131 386773459 /nfs/dbraw/zinc/77/34/59/386773459.db2.gz LMUXMUNTRREPHJ-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN Cn1cc(CCN2CC[C@@H](NC(N)=O)C2)cn1 ZINC000330530827 386777130 /nfs/dbraw/zinc/77/71/30/386777130.db2.gz RVCHBVHUWQAPOX-SNVBAGLBSA-N 0 3 237.307 0.119 20 0 BCADHN CN(CCO)C[C@@H](O)Cc1ccccc1 ZINC000192498481 386777744 /nfs/dbraw/zinc/77/77/44/386777744.db2.gz LNRLUSDBIMAZQM-LBPRGKRZSA-N 0 3 209.289 0.514 20 0 BCADHN CC[C@@H](C(=O)NCCC[C@H](C)CO)N(C)C ZINC000340415893 386778342 /nfs/dbraw/zinc/77/83/42/386778342.db2.gz YDDXCWIHNHPAOH-QWRGUYRKSA-N 0 3 230.352 0.851 20 0 BCADHN CC[C@@H](C(N)=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000330532311 386778516 /nfs/dbraw/zinc/77/85/16/386778516.db2.gz BWQCUAYPVYXDAD-DCAQKATOSA-N 0 3 243.351 0.951 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2ccc(=O)[nH]c2)C1 ZINC000639276263 386779139 /nfs/dbraw/zinc/77/91/39/386779139.db2.gz LSLNLAYCJJESTF-SNVBAGLBSA-N 0 3 235.287 0.355 20 0 BCADHN C[C@@H](NC[C@]1(O)CCSC1)c1ccnn1C ZINC000192927209 386796502 /nfs/dbraw/zinc/79/65/02/386796502.db2.gz DVWVJTNVSCFPFM-MWLCHTKSSA-N 0 3 241.360 0.939 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCCOC1 ZINC000129719938 386784234 /nfs/dbraw/zinc/78/42/34/386784234.db2.gz FTGFBRTYTZPPJN-VIFPVBQESA-N 0 3 210.281 0.331 20 0 BCADHN CN(CCC(=O)OC(C)(C)C)[C@@H]1COC[C@H]1O ZINC000330612712 386786542 /nfs/dbraw/zinc/78/65/42/386786542.db2.gz RECCFADMWOCGDP-NXEZZACHSA-N 0 3 245.319 0.410 20 0 BCADHN CC(C(=O)N(C)[C@H]1CCCOC1)S(C)(=O)=O ZINC000340836472 386786920 /nfs/dbraw/zinc/78/69/20/386786920.db2.gz MJXWOJOVJFNCJD-BDAKNGLRSA-N 0 3 249.332 0.057 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NCC(F)(F)CN)C1 ZINC000417805569 386788179 /nfs/dbraw/zinc/78/81/79/386788179.db2.gz HLIRWFGMKSOGHQ-HTQZYQBOSA-N 0 3 235.278 0.085 20 0 BCADHN Cc1cnn(CCN2CCC[C@@H]2CO)c1 ZINC000336668089 386788895 /nfs/dbraw/zinc/78/88/95/386788895.db2.gz FCPAUIJMPOGQSY-LLVKDONJSA-N 0 3 209.293 0.648 20 0 BCADHN COC(=O)[C@H]1CCN(CCCNC(C)=O)C1 ZINC000357475497 386789054 /nfs/dbraw/zinc/78/90/54/386789054.db2.gz OCVAWKPWYIANIH-JTQLQIEISA-N 0 3 228.292 0.008 20 0 BCADHN CC[C@H]1CC[C@@H](C)N1CC(=O)NCC(=O)OC ZINC000330668241 386817567 /nfs/dbraw/zinc/81/75/67/386817567.db2.gz XQKCTVIEPRAFFM-ZJUUUORDSA-N 0 3 242.319 0.539 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CC[C@H](C)O2)C[C@H]1O ZINC000395362880 386821186 /nfs/dbraw/zinc/82/11/86/386821186.db2.gz JUAOPYRWCHPXMO-LNFKQOIKSA-N 0 3 215.293 0.245 20 0 BCADHN CCOC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000357665448 386822537 /nfs/dbraw/zinc/82/25/37/386822537.db2.gz XDWJGXNKPCPLOC-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](CN(C)C)NS(=O)(=O)N1CCC[C@@H]1C ZINC000344904906 386799368 /nfs/dbraw/zinc/79/93/68/386799368.db2.gz HBNNPODHXBHBOX-ZJUUUORDSA-N 0 3 249.380 0.255 20 0 BCADHN c1ncc(CN2CCc3n[nH]cc3C2)[nH]1 ZINC000280304214 386801574 /nfs/dbraw/zinc/80/15/74/386801574.db2.gz WDWAYMINVKWCHU-UHFFFAOYSA-N 0 3 203.249 0.691 20 0 BCADHN CC(C)OCCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000417995462 386802787 /nfs/dbraw/zinc/80/27/87/386802787.db2.gz AYZHKMLPRQXMJB-MNOVXSKESA-N 0 3 243.351 0.803 20 0 BCADHN C[C@@H](CN1CCOCC1)N(C)Cc1cnc[nH]1 ZINC000280314700 386805498 /nfs/dbraw/zinc/80/54/98/386805498.db2.gz XKRUADQLBZUIFP-NSHDSACASA-N 0 3 238.335 0.562 20 0 BCADHN CC(C)[N@@H+](C)C[C@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000357561374 386807440 /nfs/dbraw/zinc/80/74/40/386807440.db2.gz CSCOOANNXZZCSQ-VIFPVBQESA-N 0 3 248.334 0.867 20 0 BCADHN CC(C)[N@H+](C)C[C@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000357561374 386807445 /nfs/dbraw/zinc/80/74/45/386807445.db2.gz CSCOOANNXZZCSQ-VIFPVBQESA-N 0 3 248.334 0.867 20 0 BCADHN CS[C@@H]1CC[C@@H]1NCc1cnnn1C ZINC000336671039 386808231 /nfs/dbraw/zinc/80/82/31/386808231.db2.gz YWPOYLYZUBIWOF-DTWKUNHWSA-N 0 3 212.322 0.799 20 0 BCADHN COC[C@H]1CCN(C(=O)N[C@H](C)CN(C)C)C1 ZINC000344938827 386810488 /nfs/dbraw/zinc/81/04/88/386810488.db2.gz MJHAACHFYHTRIX-MNOVXSKESA-N 0 3 243.351 0.614 20 0 BCADHN COC[C@H]1CCN(CC(=O)N2CCCC2)C1 ZINC000352875246 386812438 /nfs/dbraw/zinc/81/24/38/386812438.db2.gz XLWMDXVRZLTLJZ-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN CC(C)COC[C@H](O)CN1CC[C@@H](C)[C@H](O)C1 ZINC000330657940 386813032 /nfs/dbraw/zinc/81/30/32/386813032.db2.gz ORYWSOSHIBZCOM-JHJVBQTASA-N 0 3 245.363 0.723 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000395054089 386813216 /nfs/dbraw/zinc/81/32/16/386813216.db2.gz MZOGWAMSRWTLQP-LNFKQOIKSA-N 0 3 249.376 0.965 20 0 BCADHN Cc1n[nH]cc1CN1C[C@H](O)C(C)(C)C1 ZINC000280445803 386813606 /nfs/dbraw/zinc/81/36/06/386813606.db2.gz KWPJIRDCGIIKTJ-JTQLQIEISA-N 0 3 209.293 0.921 20 0 BCADHN CCN(C)CCNC(=O)NC[C@@H](OC)C(C)C ZINC000341041004 386827477 /nfs/dbraw/zinc/82/74/77/386827477.db2.gz AMNPGHMZBCDDJA-LLVKDONJSA-N 0 3 245.367 0.908 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1O ZINC000395399012 386827721 /nfs/dbraw/zinc/82/77/21/386827721.db2.gz ZTHZPGOAVIDRDH-HBNTYKKESA-N 0 3 215.293 0.247 20 0 BCADHN CC[C@@H](O)CCCNC(=O)C1(N)CCCC1 ZINC000398493241 386830072 /nfs/dbraw/zinc/83/00/72/386830072.db2.gz TXJYFPPPLCFDEL-SNVBAGLBSA-N 0 3 228.336 0.925 20 0 BCADHN CCOCCC(=O)NCC1=CCN(C)CC1 ZINC000343250482 386837558 /nfs/dbraw/zinc/83/75/58/386837558.db2.gz NBWWLVWZAKRSTM-UHFFFAOYSA-N 0 3 226.320 0.791 20 0 BCADHN CCN(C)C(=O)CN(C)C[C@@H]1CCCOC1 ZINC000341118173 386840198 /nfs/dbraw/zinc/84/01/98/386840198.db2.gz AYNWVTBNLWLZGP-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@H](CO)c1cnn(C)c1 ZINC000425339421 386840901 /nfs/dbraw/zinc/84/09/01/386840901.db2.gz COGZGHZXGJOFKQ-HBNTYKKESA-N 0 3 241.360 0.937 20 0 BCADHN C[C@H](CCO)CNC(=O)NCCN(C)C1CC1 ZINC000341122910 386842883 /nfs/dbraw/zinc/84/28/83/386842883.db2.gz JKAJBFGWVWCGKF-SNVBAGLBSA-N 0 3 243.351 0.398 20 0 BCADHN Cc1ccncc1[C@H](C)NC[C@H](O)CN(C)C ZINC000357778303 386843668 /nfs/dbraw/zinc/84/36/68/386843668.db2.gz NEXLGESZQLBWIJ-RYUDHWBXSA-N 0 3 237.347 0.963 20 0 BCADHN CSCCCNC(=O)C(N)C(F)(F)F ZINC000336673826 386845082 /nfs/dbraw/zinc/84/50/82/386845082.db2.gz AADNMYXFGBMWLX-RXMQYKEDSA-N 0 3 230.255 0.745 20 0 BCADHN CC[C@H](O)CN1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000645177670 386845924 /nfs/dbraw/zinc/84/59/24/386845924.db2.gz PLCBUHNFDSPSAF-RWMBFGLXSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@H]1[C@H](NCc2ncc[nH]2)CCCN1C ZINC000336674657 386847555 /nfs/dbraw/zinc/84/75/55/386847555.db2.gz AGBPPPQHMFHKMZ-VHSXEESVSA-N 0 3 208.309 0.982 20 0 BCADHN CCc1cc(N2CCN3C(=O)NC[C@@H]3C2)ccn1 ZINC000334786318 386847989 /nfs/dbraw/zinc/84/79/89/386847989.db2.gz OTWBJEGGAKKHTP-GFCCVEGCSA-N 0 3 246.314 0.858 20 0 BCADHN CN(CC(=O)N1CCC1)C[C@H]1CCCOC1 ZINC000341154057 386848153 /nfs/dbraw/zinc/84/81/53/386848153.db2.gz FCYYUAWILNYXRM-LLVKDONJSA-N 0 3 226.320 0.577 20 0 BCADHN Cc1cc(CCN[C@@H](C)CC(N)=O)on1 ZINC000336674544 386853737 /nfs/dbraw/zinc/85/37/37/386853737.db2.gz AFOGNDNRDRPMKZ-ZETCQYMHSA-N 0 3 211.265 0.379 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1ccccn1 ZINC000645184764 386848239 /nfs/dbraw/zinc/84/82/39/386848239.db2.gz DLPMZUUOVBDGOD-SNVBAGLBSA-N 0 3 219.288 0.696 20 0 BCADHN C[C@@H]1[C@@H](NCc2ncc[nH]2)CCCN1C ZINC000336674660 386848710 /nfs/dbraw/zinc/84/87/10/386848710.db2.gz AGBPPPQHMFHKMZ-ZJUUUORDSA-N 0 3 208.309 0.982 20 0 BCADHN CN(C)CCNC(=O)Cc1cnccc1Cl ZINC000293609129 386849340 /nfs/dbraw/zinc/84/93/40/386849340.db2.gz BGTSYDBBUHKHIB-UHFFFAOYSA-N 0 3 241.722 0.955 20 0 BCADHN C[C@H]1CCN(CCN2CCCS2(=O)=O)[C@H]1C ZINC000334789404 386850469 /nfs/dbraw/zinc/85/04/69/386850469.db2.gz ANSILCVFAXCNFS-QWRGUYRKSA-N 0 3 246.376 0.752 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C2CC2)nn1C ZINC000331423630 386850721 /nfs/dbraw/zinc/85/07/21/386850721.db2.gz DSGOZOJUIBXGCL-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN C[C@@H]1CCN(CCN2CCCS2(=O)=O)[C@H]1C ZINC000334789402 386852242 /nfs/dbraw/zinc/85/22/42/386852242.db2.gz ANSILCVFAXCNFS-MNOVXSKESA-N 0 3 246.376 0.752 20 0 BCADHN COC(=O)CCCNC(=O)N[C@@H](C)CN(C)C ZINC000349527491 386852612 /nfs/dbraw/zinc/85/26/12/386852612.db2.gz SLMHHAUKHHQVRX-VIFPVBQESA-N 0 3 245.323 0.189 20 0 BCADHN CN(CCCO)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331753545 386893870 /nfs/dbraw/zinc/89/38/70/386893870.db2.gz HOLHYLJZQBBHTA-SNVBAGLBSA-N 0 3 241.335 0.247 20 0 BCADHN C[C@]1(CO)CCC[C@H]1NCC(=O)NCC1CC1 ZINC000331434916 386854054 /nfs/dbraw/zinc/85/40/54/386854054.db2.gz GNOJVFUNDIWVOS-DGCLKSJQSA-N 0 3 240.347 0.653 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cnc[nH]1 ZINC000334790650 386856239 /nfs/dbraw/zinc/85/62/39/386856239.db2.gz RCYGHQJOAIZTNO-NSHDSACASA-N 0 3 236.319 0.822 20 0 BCADHN COC[C@H](O)CCN[C@@H](C)c1ccnn1C ZINC000193063187 386857276 /nfs/dbraw/zinc/85/72/76/386857276.db2.gz ACJZTRJRKBAUEC-VHSXEESVSA-N 0 3 227.308 0.468 20 0 BCADHN CCC1(C)CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000335742423 386859043 /nfs/dbraw/zinc/85/90/43/386859043.db2.gz MJIISJLUUPSYHE-MRVPVSSYSA-N 0 3 233.333 0.678 20 0 BCADHN Cn1cccc1CN1C[C@H](O)C2(CC2)C1 ZINC000335743440 386860160 /nfs/dbraw/zinc/86/01/60/386860160.db2.gz BVSTWJWAYFBNGJ-NSHDSACASA-N 0 3 206.289 0.982 20 0 BCADHN Cn1cncc1CNC[C@H](CO)C1CC1 ZINC000336744310 386860790 /nfs/dbraw/zinc/86/07/90/386860790.db2.gz ZCKZJRANWPGRSM-SNVBAGLBSA-N 0 3 209.293 0.528 20 0 BCADHN C[C@H](CO)NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341199117 386860847 /nfs/dbraw/zinc/86/08/47/386860847.db2.gz KKWDNDDXYYDUPW-BBBLOLIVSA-N 0 3 229.324 0.149 20 0 BCADHN C[C@@H](O)C(=O)NC1CCN(C2CC2)CC1 ZINC000331494910 386860931 /nfs/dbraw/zinc/86/09/31/386860931.db2.gz PDOBGZRQRQJRTD-MRVPVSSYSA-N 0 3 212.293 0.110 20 0 BCADHN C[C@H](O)CCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341205012 386862655 /nfs/dbraw/zinc/86/26/55/386862655.db2.gz QEEFMZXSIZGTGW-OUAUKWLOSA-N 0 3 243.351 0.539 20 0 BCADHN CN(C)C1(CNC(=O)Cc2ccon2)CCC1 ZINC000331505932 386863511 /nfs/dbraw/zinc/86/35/11/386863511.db2.gz AXTCZWAGDYJMGE-UHFFFAOYSA-N 0 3 237.303 0.818 20 0 BCADHN CN(CCn1cncn1)C[C@H]1CCCC[C@H]1O ZINC000330710376 386864192 /nfs/dbraw/zinc/86/41/92/386864192.db2.gz PBIDJFXGASRNIR-VXGBXAGGSA-N 0 3 238.335 0.761 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cnc[nH]2)CCN1C ZINC000335746242 386866622 /nfs/dbraw/zinc/86/66/22/386866622.db2.gz MVPKDQMZLCNZTR-DTWKUNHWSA-N 0 3 222.292 0.622 20 0 BCADHN C[C@H](C[C@H](C)O)NC(=O)NC[C@@H]1CCCN1C ZINC000341250038 386867316 /nfs/dbraw/zinc/86/73/16/386867316.db2.gz MQLHVJKGIKEQFX-VWYCJHECSA-N 0 3 243.351 0.539 20 0 BCADHN CCN1CCCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000335746678 386869891 /nfs/dbraw/zinc/86/98/91/386869891.db2.gz BCMAZOAMYOTUEV-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CCN(CCNC(=O)[C@H]1COCCO1)C1CC1 ZINC000331568715 386870074 /nfs/dbraw/zinc/87/00/74/386870074.db2.gz UCJKDUQVBUVDQB-LLVKDONJSA-N 0 3 242.319 0.002 20 0 BCADHN NS(=O)(=O)C[C@H]1CCCN1CCC1CC1 ZINC000331553551 386870637 /nfs/dbraw/zinc/87/06/37/386870637.db2.gz WCMZYENVUIIRCY-SNVBAGLBSA-N 0 3 232.349 0.539 20 0 BCADHN CCOC[C@@H]1CCN(CC(=O)N(C)CC)C1 ZINC000357952267 386872376 /nfs/dbraw/zinc/87/23/76/386872376.db2.gz AQUUXHUCMXKJIT-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000330744107 386877613 /nfs/dbraw/zinc/87/76/13/386877613.db2.gz CXWQJNVVMMCHOL-DTWKUNHWSA-N 0 3 243.307 0.089 20 0 BCADHN CC[C@H](CNC(=O)NC1CCN(C)CC1)OC ZINC000358003120 386878339 /nfs/dbraw/zinc/87/83/39/386878339.db2.gz MNTVOCBZBNWEEY-LLVKDONJSA-N 0 3 243.351 0.805 20 0 BCADHN CCN(C[C@@H](C)O)C(=O)[C@@H](C(C)C)N(C)C ZINC000341317665 386878676 /nfs/dbraw/zinc/87/86/76/386878676.db2.gz WUSCUANOPHVNFF-GHMZBOCLSA-N 0 3 230.352 0.802 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000335753330 386880202 /nfs/dbraw/zinc/88/02/02/386880202.db2.gz OULBTGSHZPHHDA-CMPLNLGQSA-N 0 3 238.331 0.718 20 0 BCADHN CSCCCC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358050204 386885739 /nfs/dbraw/zinc/88/57/39/386885739.db2.gz PMQJCAUOBDQLST-LLVKDONJSA-N 0 3 246.376 0.312 20 0 BCADHN C[C@H](C(=O)NC[C@@]1(O)CCN(C)C1)C(C)(C)C ZINC000358053920 386886559 /nfs/dbraw/zinc/88/65/59/386886559.db2.gz WQFXFKLUWKAUEH-MFKMUULPSA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000330733899 386886761 /nfs/dbraw/zinc/88/67/61/386886761.db2.gz KKRSOLDIVTYMSW-GRYCIOLGSA-N 0 3 242.363 0.992 20 0 BCADHN Cc1cncc(C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000358074995 386887487 /nfs/dbraw/zinc/88/74/87/386887487.db2.gz SJGPGQNCNWOIEF-ZDUSSCGKSA-N 0 3 249.314 0.186 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H](F)C1)N(C)C ZINC000334842432 386888381 /nfs/dbraw/zinc/88/83/81/386888381.db2.gz SURGPUTWQVCNEK-RKDXNWHRSA-N 0 3 202.273 0.897 20 0 BCADHN CC[C@]1(C)C[C@H]1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358075464 386889272 /nfs/dbraw/zinc/88/92/72/386889272.db2.gz SYTVMTJXHCXJET-UHTWSYAYSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H]1[C@@H](NC(=O)C2(O)CCC2)CCCN1C ZINC000358092882 386890283 /nfs/dbraw/zinc/89/02/83/386890283.db2.gz DUCISJIHUFABKM-UWVGGRQHSA-N 0 3 226.320 0.500 20 0 BCADHN CC(C)(O)CCN1CCC[C@](F)(CO)C1 ZINC000367863961 386916169 /nfs/dbraw/zinc/91/61/69/386916169.db2.gz HLDZJEXWCBKPSP-LLVKDONJSA-N 0 3 219.300 0.944 20 0 BCADHN CC(C)[C@H](O)CN1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000367924584 386918322 /nfs/dbraw/zinc/91/83/22/386918322.db2.gz KCFUANSMXNKPOQ-XQQFMLRXSA-N 0 3 243.347 0.883 20 0 BCADHN Cc1[nH]ncc1CN1CCn2cnnc2[C@H]1C ZINC000331871353 386919141 /nfs/dbraw/zinc/91/91/41/386919141.db2.gz SSEMTJVPPUCISM-SECBINFHSA-N 0 3 232.291 0.886 20 0 BCADHN C[C@H]1C[C@H](C(=O)N2CCN3CCC2CC3)CO1 ZINC000335760695 386899021 /nfs/dbraw/zinc/89/90/21/386899021.db2.gz BOEJPYVKMCDENF-QWRGUYRKSA-N 0 3 238.331 0.718 20 0 BCADHN CC[C@H](C(=O)N1CCN(C)C[C@@H]1C)N(C)C ZINC000335760905 386899073 /nfs/dbraw/zinc/89/90/73/386899073.db2.gz SWGOYPXHQUUMSQ-WDEREUQCSA-N 0 3 227.352 0.489 20 0 BCADHN CN(C[C@@H]1CCOC1)C(=O)[C@@H]1CCCN1C ZINC000334851780 386902655 /nfs/dbraw/zinc/90/26/55/386902655.db2.gz LGAKGIVOZLBTCS-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H](O)CCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331777368 386902690 /nfs/dbraw/zinc/90/26/90/386902690.db2.gz ORKZQKUMLVRIMG-ZJUUUORDSA-N 0 3 241.335 0.293 20 0 BCADHN CCOCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331784763 386904228 /nfs/dbraw/zinc/90/42/28/386904228.db2.gz QSIKTKLQAJJZCV-SNVBAGLBSA-N 0 3 241.335 0.559 20 0 BCADHN CC(C)N1CC[C@@H](N[C@@H]2CN(C)C[C@H]2C)C1=O ZINC000358167117 386905002 /nfs/dbraw/zinc/90/50/02/386905002.db2.gz YJTAJUOUILUYCE-IJLUTSLNSA-N 0 3 239.363 0.535 20 0 BCADHN C[C@H](CO)CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331789906 386905380 /nfs/dbraw/zinc/90/53/80/386905380.db2.gz SDYBQIHSRHMYSX-UWVGGRQHSA-N 0 3 241.335 0.151 20 0 BCADHN C[C@H](CNC(=O)NCC(C)(C)O)N(C)C1CC1 ZINC000331789395 386905992 /nfs/dbraw/zinc/90/59/92/386905992.db2.gz UVBJPXPGXNHFGV-SECBINFHSA-N 0 3 243.351 0.539 20 0 BCADHN CN(CC(C)(C)O)C(=O)NCCN(C)C1CC1 ZINC000331792971 386906768 /nfs/dbraw/zinc/90/67/68/386906768.db2.gz VNJZWEYWMQVGCZ-UHFFFAOYSA-N 0 3 243.351 0.493 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@H](O)CC1 ZINC000341459532 386907311 /nfs/dbraw/zinc/90/73/11/386907311.db2.gz OGMUDYQOIXJNJI-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN CCN(C(=O)/C=C/CN(C)C)[C@@H](C)CO ZINC000293939669 386907504 /nfs/dbraw/zinc/90/75/04/386907504.db2.gz IYLKPSXSUBYRLP-FGEFZZPRSA-N 0 3 214.309 0.334 20 0 BCADHN C[C@@H](CC(N)=O)N[C@H](CO)c1cccc(F)c1 ZINC000358180059 386909865 /nfs/dbraw/zinc/90/98/65/386909865.db2.gz SFYSNIYCCMOWHU-GZMMTYOYSA-N 0 3 240.278 0.713 20 0 BCADHN C[C@H](NC(=O)C12CCCN1CCC2)C(N)=O ZINC000335767442 386910403 /nfs/dbraw/zinc/91/04/03/386910403.db2.gz NVLUJTFFOJTKOB-QMMMGPOBSA-N 0 3 225.292 0.655 20 0 BCADHN CCN(CC)[C@H](C)CNS(=O)(=O)NC1CC1 ZINC000331815905 386912364 /nfs/dbraw/zinc/91/23/64/386912364.db2.gz ZXCXTVQSXFOYHO-SECBINFHSA-N 0 3 249.380 0.303 20 0 BCADHN CC[C@@H](C(=O)NC[C@]1(OC)CCOC1)N(C)C ZINC000330913565 386920595 /nfs/dbraw/zinc/92/05/95/386920595.db2.gz XRAYXIWRMHKDRO-CMPLNLGQSA-N 0 3 244.335 0.248 20 0 BCADHN O=C1NC[C@@H]2CN(Cc3cccc(O)c3)CC[C@@H]12 ZINC000367944968 386920605 /nfs/dbraw/zinc/92/06/05/386920605.db2.gz TYVZXQKFDOLDLT-DGCLKSJQSA-N 0 3 246.310 0.960 20 0 BCADHN CCC[C@@]1(CO)CCCN1CC(=O)NC1CC1 ZINC000331897547 386922072 /nfs/dbraw/zinc/92/20/72/386922072.db2.gz NDDRCTQLEVNUFQ-ZDUSSCGKSA-N 0 3 240.347 0.892 20 0 BCADHN C[C@H](O)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000367974212 386924242 /nfs/dbraw/zinc/92/42/42/386924242.db2.gz RFTAMAJDZBBQDD-JOYOIKCWSA-N 0 3 246.326 0.696 20 0 BCADHN Cn1nnc2cc(CN3CC[C@@](C)(O)C3)ccc21 ZINC000331915117 386924805 /nfs/dbraw/zinc/92/48/05/386924805.db2.gz SHZAQUCHKOQWAI-CYBMUJFWSA-N 0 3 246.314 0.925 20 0 BCADHN C[C@@H](NC(=O)N(C)CCN(C)C)[C@@H]1CCOC1 ZINC000341580018 386924954 /nfs/dbraw/zinc/92/49/54/386924954.db2.gz DYVZDKITEFEKAG-GHMZBOCLSA-N 0 3 243.351 0.614 20 0 BCADHN CCCCNC(=O)CCN(C)CCOC ZINC000116273654 386929859 /nfs/dbraw/zinc/92/98/59/386929859.db2.gz UOSURWMCVVCKOO-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN CO[C@@H]1C[C@@H](NCc2cnnn2C)C12CCC2 ZINC000308412533 386931439 /nfs/dbraw/zinc/93/14/39/386931439.db2.gz ICIKZFIGNOZAMB-GHMZBOCLSA-N 0 3 236.319 0.862 20 0 BCADHN C[C@H](CNC(=O)[C@@](C)(O)C1CC1)N(C)C1CC1 ZINC000341604016 386931826 /nfs/dbraw/zinc/93/18/26/386931826.db2.gz YSNGBGPGOHEXRK-RNCFNFMXSA-N 0 3 240.347 0.746 20 0 BCADHN O=C1[C@H](N2CCC[C@@H](O)CC2)CCN1C1CC1 ZINC000334872477 386932666 /nfs/dbraw/zinc/93/26/66/386932666.db2.gz JGWGJCQCTAAPDY-VXGBXAGGSA-N 0 3 238.331 0.597 20 0 BCADHN Cc1nc(CN[C@]2(C)CCO[C@H]2C)n[nH]1 ZINC000336763002 386934519 /nfs/dbraw/zinc/93/45/19/386934519.db2.gz ORLYIEOCFPDTBT-OIBJUYFYSA-N 0 3 210.281 0.770 20 0 BCADHN O=C1NCCN1CCN1C[C@H]2CCCC[C@H]21 ZINC000368053350 386934623 /nfs/dbraw/zinc/93/46/23/386934623.db2.gz FIRLKPUZIKLXET-GHMZBOCLSA-N 0 3 223.320 0.886 20 0 BCADHN CC(C)[C@]1(CO)CCN(C[C@@H]2CNC(=O)O2)C1 ZINC000368072502 386934810 /nfs/dbraw/zinc/93/48/10/386934810.db2.gz XFIMNAPLGUQLPB-CMPLNLGQSA-N 0 3 242.319 0.435 20 0 BCADHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CC(O)C2)C1 ZINC000368160724 386947790 /nfs/dbraw/zinc/94/77/90/386947790.db2.gz QEIAVLGDPSHXIZ-LBPRGKRZSA-N 0 3 244.310 0.402 20 0 BCADHN Cc1c(CN2CC[C@H]3C(=O)NC[C@H]3C2)cnn1C ZINC000368064584 386937122 /nfs/dbraw/zinc/93/71/22/386937122.db2.gz QEOBEYZHAMFMHR-NWDGAFQWSA-N 0 3 248.330 0.296 20 0 BCADHN CN(C)C(=O)NCCN(C)CCC1(O)CCC1 ZINC000332004083 386940002 /nfs/dbraw/zinc/94/00/02/386940002.db2.gz CBCFZWBTLAVLNL-UHFFFAOYSA-N 0 3 243.351 0.495 20 0 BCADHN CCC[C@@H](O)CNC(=O)C12CCCN1CCC2 ZINC000368112711 386941100 /nfs/dbraw/zinc/94/11/00/386941100.db2.gz IPDLAMPMYAIBFU-LLVKDONJSA-N 0 3 240.347 0.892 20 0 BCADHN CCC[C@H](O)CNC(=O)C12CCCN1CCC2 ZINC000368112712 386941957 /nfs/dbraw/zinc/94/19/57/386941957.db2.gz IPDLAMPMYAIBFU-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN CN1CCC(NC(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC000368099326 386942052 /nfs/dbraw/zinc/94/20/52/386942052.db2.gz QIHQFNCOXYFWQE-WCQYABFASA-N 0 3 238.331 0.623 20 0 BCADHN Nc1cccc(C(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000368185295 386948034 /nfs/dbraw/zinc/94/80/34/386948034.db2.gz MZRLAJKEFACFOE-ONGXEEELSA-N 0 3 237.278 0.699 20 0 BCADHN COC[C@H](CNC(=O)C1CCN(C)CC1)OC ZINC000358370076 386944234 /nfs/dbraw/zinc/94/42/34/386944234.db2.gz BXIAWQSQGJYGNW-NSHDSACASA-N 0 3 244.335 0.106 20 0 BCADHN CC[C@H](NC[C@H](O)CN(C)C)c1nccn1C ZINC000341696355 386953571 /nfs/dbraw/zinc/95/35/71/386953571.db2.gz DZZVPTIPGXCUTK-QWRGUYRKSA-N 0 3 240.351 0.383 20 0 BCADHN CCCNC(=O)CN1CC[C@@H](CO)[C@@H]1C ZINC000395176444 386959455 /nfs/dbraw/zinc/95/94/55/386959455.db2.gz JEEHMJGMCKYWGO-UWVGGRQHSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@H](NC(=O)[C@@H]1C[C@@H]1N)C1CCOCC1 ZINC000332132523 386963244 /nfs/dbraw/zinc/96/32/44/386963244.db2.gz KFAWFVHYCNHQCL-SFGNSQDASA-N 0 3 212.293 0.265 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(C)CC1CC1 ZINC000358492110 386964071 /nfs/dbraw/zinc/96/40/71/386964071.db2.gz FTZQHGHDUZTYCE-SECBINFHSA-N 0 3 213.325 0.988 20 0 BCADHN O=C1NCC[C@H]1N1CCC(C2CC2)CC1 ZINC000368337317 386963972 /nfs/dbraw/zinc/96/39/72/386963972.db2.gz SXYDYOKGEOHVMF-LLVKDONJSA-N 0 3 208.305 0.997 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCC1(O)CCCC1 ZINC000358501762 386966733 /nfs/dbraw/zinc/96/67/33/386966733.db2.gz OACMDDKYLXEPGS-JTQLQIEISA-N 0 3 243.351 0.541 20 0 BCADHN CN(C)CCN(C)C(=O)c1cncs1 ZINC000341785250 386966986 /nfs/dbraw/zinc/96/69/86/386966986.db2.gz XBWMFXWPKLNIGI-UHFFFAOYSA-N 0 3 213.306 0.777 20 0 BCADHN O=C(CC[C@H]1CCOC1)NC[C@@H]1C[C@H](F)CN1 ZINC000368371226 386967111 /nfs/dbraw/zinc/96/71/11/386967111.db2.gz UHAZLPLOLLNPIP-DCAQKATOSA-N 0 3 244.310 0.619 20 0 BCADHN CC[C@]1(O)CCN(C(=O)N[C@H](C)CN(C)C)C1 ZINC000358508532 386967842 /nfs/dbraw/zinc/96/78/42/386967842.db2.gz VBYHELVGOMNYGP-PWSUYJOCSA-N 0 3 243.351 0.493 20 0 BCADHN C[C@H]1[C@@H](CO)CCCN1CC(=O)NC1CC1 ZINC000332219099 386968898 /nfs/dbraw/zinc/96/88/98/386968898.db2.gz XOVFHIJAGKJUAD-VHSXEESVSA-N 0 3 226.320 0.358 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cnn(CC(C)C)c1 ZINC000352922683 386969092 /nfs/dbraw/zinc/96/90/92/386969092.db2.gz QAYHAYNZXARPPA-SNVBAGLBSA-N 0 3 240.307 0.451 20 0 BCADHN C[C@H](N[C@H]1CCc2ncnn2C1)c1cnn(C)c1 ZINC000332235636 386969530 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387250977 /nfs/dbraw/zinc/25/09/77/387250977.db2.gz SXIFXKXEZOQBGV-SNVBAGLBSA-N 0 3 225.336 0.291 20 0 BCADHN C[C@H](CNC(=O)[C@@]1(C)C[C@H]1F)N(C)C ZINC000424585270 387194260 /nfs/dbraw/zinc/19/42/60/387194260.db2.gz QXNCKEWCSCIPHN-MRTMQBJTSA-N 0 3 202.273 0.801 20 0 BCADHN C[C@@H](NCC(F)(F)CN)c1cnccc1N ZINC000423345445 387194579 /nfs/dbraw/zinc/19/45/79/387194579.db2.gz OCSWXISHEPDWCN-SSDOTTSWSA-N 0 3 230.262 0.739 20 0 BCADHN C[C@H](NCC(F)(F)CN)c1cnccc1N ZINC000423345456 387195186 /nfs/dbraw/zinc/19/51/86/387195186.db2.gz OCSWXISHEPDWCN-ZETCQYMHSA-N 0 3 230.262 0.739 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCCCN1)c1cn[nH]c1 ZINC000229700521 387195246 /nfs/dbraw/zinc/19/52/46/387195246.db2.gz YWQJAJPIMINDBB-SCZZXKLOSA-N 0 3 222.292 0.729 20 0 BCADHN CC[C@@H](N)C(=O)N1CCOCC12CCC2 ZINC000572299568 387310221 /nfs/dbraw/zinc/31/02/21/387310221.db2.gz LIZVXTNOVINEDN-SECBINFHSA-N 0 3 212.293 0.505 20 0 BCADHN Cc1cnn(C)c1CN[C@H]1C[C@H](O)C1(C)C ZINC000286079503 387311050 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/nfs/dbraw/zinc/26/65/90/387266590.db2.gz JHFMVTWAYUPRJB-UHFFFAOYSA-N 0 3 238.331 0.864 20 0 BCADHN C[C@H](N)C(=O)NCCc1cnc(C2CC2)nc1 ZINC000353751709 387269506 /nfs/dbraw/zinc/26/95/06/387269506.db2.gz DIJDYEZCGJZVKB-QMMMGPOBSA-N 0 3 234.303 0.360 20 0 BCADHN CCN(C)CCNC(=O)C(=O)c1cccn1C ZINC000353761117 387270607 /nfs/dbraw/zinc/27/06/07/387270607.db2.gz TVWVLVRPVQTWRU-UHFFFAOYSA-N 0 3 237.303 0.276 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC000336443787 387271702 /nfs/dbraw/zinc/27/17/02/387271702.db2.gz BVJAQBZHFVKXJW-MRVPVSSYSA-N 0 3 213.281 0.464 20 0 BCADHN COC[C@@H]1CCCCN(CC(=O)N(C)C)C1 ZINC000372101606 387273662 /nfs/dbraw/zinc/27/36/62/387273662.db2.gz IVMLDWSFQJWMGO-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN COC[C@@H](O)CCNCc1cnn(C(C)C)c1 ZINC000231604136 387278082 /nfs/dbraw/zinc/27/80/82/387278082.db2.gz TZTOETQGEZLPGR-LBPRGKRZSA-N 0 3 241.335 0.951 20 0 BCADHN CSCCCN1CCCNC(=O)[C@@H]1C ZINC000189276479 387278980 /nfs/dbraw/zinc/27/89/80/387278980.db2.gz BVELQICORFHALZ-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@H](O)C(C)(C)C1 ZINC000336451792 387280754 /nfs/dbraw/zinc/28/07/54/387280754.db2.gz WYFGPFDNIAUKCM-LLVKDONJSA-N 0 3 242.363 0.946 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H](OC)C(C)C ZINC000353827184 387281980 /nfs/dbraw/zinc/28/19/80/387281980.db2.gz OKJMOSQLTYSWKF-LLVKDONJSA-N 0 3 246.351 0.088 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)C1(N)CC1 ZINC000514788543 387286489 /nfs/dbraw/zinc/28/64/89/387286489.db2.gz QDKJAXFMIYGCFZ-JGVFFNPUSA-N 0 3 228.292 0.182 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000161994621 387293281 /nfs/dbraw/zinc/29/32/81/387293281.db2.gz QHCPBXWVKCBGPT-NXEZZACHSA-N 0 3 230.352 0.883 20 0 BCADHN C[C@H](CC(N)=O)NC[C@@H]1NCCc2ccccc21 ZINC000423443685 387293524 /nfs/dbraw/zinc/29/35/24/387293524.db2.gz XFUFBOFPLGYHOD-MFKMUULPSA-N 0 3 247.342 0.727 20 0 BCADHN Cc1nnc(NC(=O)[C@@H](N)C(C)C)n1C ZINC000514857583 387296528 /nfs/dbraw/zinc/29/65/28/387296528.db2.gz ZDEWRNCDGPSSTH-ZETCQYMHSA-N 0 3 211.269 0.045 20 0 BCADHN O=C1NCCN1CCN1C2CCC1CC2 ZINC000572320270 387318544 /nfs/dbraw/zinc/31/85/44/387318544.db2.gz XPSMHCKTXSHHBN-UHFFFAOYSA-N 0 3 209.293 0.638 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC[C@H](N(C)C)C1 ZINC000078648022 387299822 /nfs/dbraw/zinc/29/98/22/387299822.db2.gz FKJJRDLOUSEZJL-QWRGUYRKSA-N 0 3 227.352 0.489 20 0 BCADHN CO[C@@H](C(=O)NC[C@@](C)(O)CN(C)C)C(C)C ZINC000353968692 387305106 /nfs/dbraw/zinc/30/51/06/387305106.db2.gz YGOMYGUHPSJBRJ-ZYHUDNBSSA-N 0 3 246.351 0.086 20 0 BCADHN C[C@H](CNC(=O)c1ncn(C)n1)N(C)C1CC1 ZINC000353993476 387307321 /nfs/dbraw/zinc/30/73/21/387307321.db2.gz SQFITGWITPLLGG-MRVPVSSYSA-N 0 3 237.307 0.028 20 0 BCADHN C=Cn1cc(CNC[C@@H]2CN(C)CCN2C)cn1 ZINC000234318320 387309019 /nfs/dbraw/zinc/30/90/19/387309019.db2.gz RQNDCWQBQKNHPK-CYBMUJFWSA-N 0 3 249.362 0.319 20 0 BCADHN C[C@@H](NC[C@@H]1CNCCO1)c1ccco1 ZINC000423527585 387355963 /nfs/dbraw/zinc/35/59/63/387355963.db2.gz RYPICNWBTUTLOT-ZJUUUORDSA-N 0 3 210.277 0.919 20 0 BCADHN C[C@H](CC(N)=O)NCc1cccc2nccn21 ZINC000354291046 387356504 /nfs/dbraw/zinc/35/65/04/387356504.db2.gz ZVJKJMYBDMKWTB-SECBINFHSA-N 0 3 232.287 0.688 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](CO)C1 ZINC000360855374 387356576 /nfs/dbraw/zinc/35/65/76/387356576.db2.gz DWCNIQUCNMGVRD-WDEREUQCSA-N 0 3 228.336 0.413 20 0 BCADHN Cc1cnn(CCN2CC[C@@H](C)[C@H](O)C2)c1 ZINC000303496917 387361796 /nfs/dbraw/zinc/36/17/96/387361796.db2.gz MCWFMMSITPQBEX-VXGBXAGGSA-N 0 3 223.320 0.894 20 0 BCADHN CCn1nnc(C)c1CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000648593067 387363984 /nfs/dbraw/zinc/36/39/84/387363984.db2.gz PVBCHYVFZZWAOR-AAEUAGOBSA-N 0 3 249.362 0.742 20 0 BCADHN CS[C@@H](C)CNC(=O)N[C@H](C)CN(C)C ZINC000354498236 387384675 /nfs/dbraw/zinc/38/46/75/387384675.db2.gz BAURWQVVIBDXOJ-BDAKNGLRSA-N 0 3 233.381 0.987 20 0 BCADHN CNC(=O)CCNCc1cn(C)nc1C(F)F ZINC000360963994 387374215 /nfs/dbraw/zinc/37/42/15/387374215.db2.gz JZZPNZKFDCSJBL-UHFFFAOYSA-N 0 3 246.261 0.583 20 0 BCADHN CN(C[C@H]1CCOC1)[C@H]1CCCNC1=O ZINC000336554016 387374452 /nfs/dbraw/zinc/37/44/52/387374452.db2.gz BNKKNRNTRJIIIG-ZJUUUORDSA-N 0 3 212.293 0.233 20 0 BCADHN CN(C[C@@H]1CCOC1)[C@@H]1CCCNC1=O ZINC000336554015 387374708 /nfs/dbraw/zinc/37/47/08/387374708.db2.gz BNKKNRNTRJIIIG-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N1C(=O)C(=O)N(C)CCN ZINC000423554900 387375484 /nfs/dbraw/zinc/37/54/84/387375484.db2.gz FRBMLUONKMRRPB-NXEZZACHSA-N 0 3 241.335 0.193 20 0 BCADHN CC[C@@H]1[C@@H](C)CCN1C(=O)C(=O)N(C)CCN ZINC000423554794 387375878 /nfs/dbraw/zinc/37/58/78/387375878.db2.gz AEFNRBXLKMQAJD-VHSXEESVSA-N 0 3 241.335 0.051 20 0 BCADHN COC[C@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC000336553935 387376578 /nfs/dbraw/zinc/37/65/78/387376578.db2.gz JDIIGZFGSUPZBL-UWVGGRQHSA-N 0 3 212.293 0.185 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000360981439 387380569 /nfs/dbraw/zinc/38/05/69/387380569.db2.gz LJIBHMOERIENQB-WDEREUQCSA-N 0 3 228.336 0.820 20 0 BCADHN CC(C)=CC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000372728239 387322347 /nfs/dbraw/zinc/32/23/47/387322347.db2.gz RHNFRNZCQGKWHJ-LBPRGKRZSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@H](N[C@H]1COC(C)(C)C1)C(=O)NCCF ZINC000514678036 387323141 /nfs/dbraw/zinc/32/31/41/387323141.db2.gz NVCYXUYBSUPQLG-DTWKUNHWSA-N 0 3 232.299 0.618 20 0 BCADHN C[C@H](N[C@@H]1COC(C)(C)C1)C(=O)NCCF ZINC000514678038 387323661 /nfs/dbraw/zinc/32/36/61/387323661.db2.gz NVCYXUYBSUPQLG-IUCAKERBSA-N 0 3 232.299 0.618 20 0 BCADHN CC[C@H](OC)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000352573190 387325559 /nfs/dbraw/zinc/32/55/59/387325559.db2.gz RGXVPJRQWJSMHW-TUAOUCFPSA-N 0 3 240.347 0.964 20 0 BCADHN Cc1cnn(C)c1CNC[C@@]1(O)CCSC1 ZINC000286480979 387326835 /nfs/dbraw/zinc/32/68/35/387326835.db2.gz LILKINOWSZHIRQ-NSHDSACASA-N 0 3 241.360 0.686 20 0 BCADHN CCOC[C@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000515057517 387327275 /nfs/dbraw/zinc/32/72/75/387327275.db2.gz FHEHGSLZMARRSZ-JQWIXIFHSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@H]1OCC[C@H]1C(=O)N(C)CCN(C)C1CC1 ZINC000354082604 387327313 /nfs/dbraw/zinc/32/73/13/387327313.db2.gz NSZJRTAGTYBDCI-ZYHUDNBSSA-N 0 3 240.347 0.964 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@H](CO)[C@@H]1C ZINC000336558488 387382783 /nfs/dbraw/zinc/38/27/83/387382783.db2.gz XKXBEZMKLRBIDF-WDEREUQCSA-N 0 3 223.320 0.931 20 0 BCADHN O=C1NCCC[C@H]1N1CC[C@]2(CCOC2)C1 ZINC000336558586 387382950 /nfs/dbraw/zinc/38/29/50/387382950.db2.gz CQTAPGNFVXSFHK-PWSUYJOCSA-N 0 3 224.304 0.377 20 0 BCADHN Cc1cnn(C)c1CNC[C@@H](C)N(C)C ZINC000286494498 387332755 /nfs/dbraw/zinc/33/27/55/387332755.db2.gz MAAZQZSZBVJLBB-SNVBAGLBSA-N 0 3 210.325 0.768 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H](O)C1 ZINC000303222300 387336733 /nfs/dbraw/zinc/33/67/33/387336733.db2.gz KOILORRHKKUKLN-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN CSCC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000336513101 387336683 /nfs/dbraw/zinc/33/66/83/387336683.db2.gz MTNYLUBOOGGUIA-BDAKNGLRSA-N 0 3 216.350 0.948 20 0 BCADHN Cc1cnn(C)c1CN[C@@]1(C)CCOC1 ZINC000286664794 387337819 /nfs/dbraw/zinc/33/78/19/387337819.db2.gz UVNJXJDSMXAIHR-NSHDSACASA-N 0 3 209.293 0.997 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H](COC)C1 ZINC000354155046 387338617 /nfs/dbraw/zinc/33/86/17/387338617.db2.gz HDMQGHICRRQXGN-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CCCCN(CCO)CCNC(=O)NC(C)C ZINC000515469442 387383441 /nfs/dbraw/zinc/38/34/41/387383441.db2.gz OIRVQMCXHVQXSC-UHFFFAOYSA-N 0 3 245.367 0.788 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000352580917 387342468 /nfs/dbraw/zinc/34/24/68/387342468.db2.gz PGCOGTJTYOYIFJ-OUAUKWLOSA-N 0 3 226.320 0.574 20 0 BCADHN CCO[C@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000352591313 387343550 /nfs/dbraw/zinc/34/35/50/387343550.db2.gz RNIZALHMFLODKK-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@@H](CNC(=O)N1CCCN(C)CC1)OC ZINC000360743823 387344929 /nfs/dbraw/zinc/34/49/29/387344929.db2.gz GQMQJAYRVFCDAJ-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN Cc1cncc([C@H](C)NC[C@@H]2CNCCN2C)c1 ZINC000423517095 387350233 /nfs/dbraw/zinc/35/02/33/387350233.db2.gz NYRASLOKDHJNIF-JSGCOSHPSA-N 0 3 248.374 0.944 20 0 BCADHN CC(C)(O)CCN1CCO[C@@]2(CCOC2)C1 ZINC000373240781 387351461 /nfs/dbraw/zinc/35/14/61/387351461.db2.gz UXKPKXRASCBPME-LBPRGKRZSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@@H](O)CCN(C)CCN1CCCC1=O ZINC000304302703 387461468 /nfs/dbraw/zinc/46/14/68/387461468.db2.gz IKDSXBYHBWTJHY-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000423804091 387428569 /nfs/dbraw/zinc/42/85/69/387428569.db2.gz RQGDYWZTEQFSGI-GHMZBOCLSA-N 0 3 226.320 0.751 20 0 BCADHN CNCC(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000423805422 387429937 /nfs/dbraw/zinc/42/99/37/387429937.db2.gz UCEPPBVETSBLMD-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H](CN(C)[C@@H]1CCC[C@@H]1O)CS(C)(=O)=O ZINC000352667506 387430245 /nfs/dbraw/zinc/43/02/45/387430245.db2.gz KWUBLUPDHGDXSH-MXWKQRLJSA-N 0 3 249.376 0.512 20 0 BCADHN CCOC(=O)CC[C@@H](C)NC(=O)[C@H](N)C(C)C ZINC000423806053 387432145 /nfs/dbraw/zinc/43/21/45/387432145.db2.gz UDKVQCDTFZKPDD-MWLCHTKSSA-N 0 3 244.335 0.818 20 0 BCADHN C[C@H](N)C(=O)NC(C)(C)C(=O)NCC(C)(C)C ZINC000423819803 387432304 /nfs/dbraw/zinc/43/23/04/387432304.db2.gz GGFMNGGKMAMACN-QMMMGPOBSA-N 0 3 243.351 0.391 20 0 BCADHN COC[C@@H]1CN(C(=O)[C@@H](N)C(C)C)C[C@H](C)O1 ZINC000423811949 387432327 /nfs/dbraw/zinc/43/23/27/387432327.db2.gz CGLUWBYONFIWFD-DCAQKATOSA-N 0 3 244.335 0.232 20 0 BCADHN CN(C)CCN1CCCN(c2cnccn2)CC1 ZINC000374223640 387432448 /nfs/dbraw/zinc/43/24/48/387432448.db2.gz MDWGVHZXYMVFDP-UHFFFAOYSA-N 0 3 249.362 0.550 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@H](CCC)C(=O)OC ZINC000423808552 387432516 /nfs/dbraw/zinc/43/25/16/387432516.db2.gz ZCIZFHGEQCONPR-NXEZZACHSA-N 0 3 244.335 0.962 20 0 BCADHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC(=O)N(C)C ZINC000352682446 387433783 /nfs/dbraw/zinc/43/37/83/387433783.db2.gz PTBFUSRSXMGZKV-CXWACVEQSA-N 0 3 238.331 0.430 20 0 BCADHN CC[C@@H](O)[C@@H]1CCCCN1CC(N)=O ZINC000304089013 387435827 /nfs/dbraw/zinc/43/58/27/387435827.db2.gz ANUFPNHKARSNGF-DTWKUNHWSA-N 0 3 200.282 0.097 20 0 BCADHN COC(=O)C1(CNC(=O)CN)CCCCC1 ZINC000423853337 387436321 /nfs/dbraw/zinc/43/63/21/387436321.db2.gz WSLWTWWOPVTPDD-UHFFFAOYSA-N 0 3 228.292 0.185 20 0 BCADHN COC(=O)C1(O)CCN(CCCCCO)CC1 ZINC000354834383 387436949 /nfs/dbraw/zinc/43/69/49/387436949.db2.gz PSSJLVWYPCVHSM-UHFFFAOYSA-N 0 3 245.319 0.149 20 0 BCADHN COC(=O)C1(O)CCN(CC2CCC2)CC1 ZINC000354826207 387437090 /nfs/dbraw/zinc/43/70/90/387437090.db2.gz DQQGIUXGRNOZQA-UHFFFAOYSA-N 0 3 227.304 0.786 20 0 BCADHN CN(C[C@@H]1CCC[C@H]1O)C(=O)[C@H]1C[C@H](F)CN1 ZINC000423866597 387438893 /nfs/dbraw/zinc/43/88/93/387438893.db2.gz LXTYWVVLFPHWCQ-UKKRHICBSA-N 0 3 244.310 0.306 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000423864502 387438944 /nfs/dbraw/zinc/43/89/44/387438944.db2.gz YXIVETDSBMZZGF-OUAUKWLOSA-N 0 3 228.336 0.855 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000423865324 387440173 /nfs/dbraw/zinc/44/01/73/387440173.db2.gz KENHXUJRVGOOFU-SDDRHHMPSA-N 0 3 242.363 0.979 20 0 BCADHN COC(=O)CNC(=O)CN1C[C@H](C)C[C@@H]1C ZINC000354869285 387440343 /nfs/dbraw/zinc/44/03/43/387440343.db2.gz OELGNUIINLKALC-BDAKNGLRSA-N 0 3 228.292 0.006 20 0 BCADHN CC[C@H](N)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000423866932 387440483 /nfs/dbraw/zinc/44/04/83/387440483.db2.gz MDRRNVSNOAGFEW-KXUCPTDWSA-N 0 3 214.309 0.343 20 0 BCADHN CCS(=O)(=O)NCCN1CC[C@H](C2CC2)C1 ZINC000374313071 387440742 /nfs/dbraw/zinc/44/07/42/387440742.db2.gz XGMZUABNZAGCKG-NSHDSACASA-N 0 3 246.376 0.658 20 0 BCADHN CN(CCN1CCCOCC1)C[C@@H]1CCCO1 ZINC000361334683 387440908 /nfs/dbraw/zinc/44/09/08/387440908.db2.gz HEYXSKQNLORNKC-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN CCC[C@H](N)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000423873656 387441297 /nfs/dbraw/zinc/44/12/97/387441297.db2.gz QZVHJYRRWZKAFX-VWYCJHECSA-N 0 3 228.336 0.733 20 0 BCADHN O=C(CN1CCC[C@@H](CCO)C1)N1CCCC1 ZINC000051896436 387441331 /nfs/dbraw/zinc/44/13/31/387441331.db2.gz BHIZTTQDHHZRIU-LBPRGKRZSA-N 0 3 240.347 0.703 20 0 BCADHN CC[C@H](N)C(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC000423873078 387441560 /nfs/dbraw/zinc/44/15/60/387441560.db2.gz MJZFXRKYFDIJMQ-UWVGGRQHSA-N 0 3 228.336 0.637 20 0 BCADHN O=C1C[C@@]2(CCN(Cc3cnc[nH]3)C2)CN1 ZINC000361332376 387441820 /nfs/dbraw/zinc/44/18/20/387441820.db2.gz SAXSGQSNFPRZQJ-NSHDSACASA-N 0 3 220.276 0.122 20 0 BCADHN CNCC(=O)NCCCNc1ccccc1F ZINC000423872282 387441931 /nfs/dbraw/zinc/44/19/31/387441931.db2.gz HUKNRJPXBOVQSU-UHFFFAOYSA-N 0 3 239.294 0.963 20 0 BCADHN C[C@H](O)CCCN1CCC[C@H]1C(N)=O ZINC000354885722 387442892 /nfs/dbraw/zinc/44/28/92/387442892.db2.gz VFIFIMHWWOJVKH-IUCAKERBSA-N 0 3 200.282 0.097 20 0 BCADHN O=C1C[C@]2(CCN(Cc3cnc[nH]3)C2)CN1 ZINC000361332369 387442948 /nfs/dbraw/zinc/44/29/48/387442948.db2.gz SAXSGQSNFPRZQJ-LLVKDONJSA-N 0 3 220.276 0.122 20 0 BCADHN CCC[C@@H](C)CC(=O)NC[C@@H]1CNCCO1 ZINC000423985524 387461943 /nfs/dbraw/zinc/46/19/43/387461943.db2.gz DPMXNCQOQAXRBH-MNOVXSKESA-N 0 3 228.336 0.917 20 0 BCADHN Cc1nnc(N(C)C(=O)[C@@H]2CCN(C)C2)s1 ZINC000572434441 387445334 /nfs/dbraw/zinc/44/53/34/387445334.db2.gz JTSYLAAPYRWUBG-MRVPVSSYSA-N 0 3 240.332 0.761 20 0 BCADHN COC[C@@H](O)CNCc1c[nH]nc1C(C)(C)C ZINC000304202024 387447298 /nfs/dbraw/zinc/44/72/98/387447298.db2.gz AOTVHQXZPFQUQJ-JTQLQIEISA-N 0 3 241.335 0.804 20 0 BCADHN CCCCN(CCCO)[C@H]1COC[C@@H]1O ZINC000361356156 387447377 /nfs/dbraw/zinc/44/73/77/387447377.db2.gz PODMTIGHNWCVII-QWRGUYRKSA-N 0 3 217.309 0.231 20 0 BCADHN CCOCC[C@H](O)CN1CCC[C@H]2COC[C@H]21 ZINC000374373324 387447371 /nfs/dbraw/zinc/44/73/71/387447371.db2.gz HUNSHLDHXADGAP-RWMBFGLXSA-N 0 3 243.347 0.885 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)COC(F)F ZINC000354912402 387447986 /nfs/dbraw/zinc/44/79/86/387447986.db2.gz OHDGMRKTTOGHPP-UHFFFAOYSA-N 0 3 236.262 0.778 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCC[C@H](O)C1 ZINC000084480460 387449934 /nfs/dbraw/zinc/44/99/34/387449934.db2.gz DGSRGDIIYWRNGG-UWVGGRQHSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1cn[nH]c1 ZINC000304233118 387451138 /nfs/dbraw/zinc/45/11/38/387451138.db2.gz LKBVDEUHLXLFSL-SCZZXKLOSA-N 0 3 222.292 0.681 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)[C@H](N)C(C)C ZINC000423919084 387451635 /nfs/dbraw/zinc/45/16/35/387451635.db2.gz DYJRBPQJRNVVEQ-DJLDLDEBSA-N 0 3 202.298 0.509 20 0 BCADHN CCOC(=O)CCCN[C@@H]1COC[C@H]1OC ZINC000516058464 387452105 /nfs/dbraw/zinc/45/21/05/387452105.db2.gz BIKLPHPCLIWUHV-NXEZZACHSA-N 0 3 231.292 0.333 20 0 BCADHN CC1(C)CN(CCN2CCCOCC2)C[C@H]1O ZINC000361382901 387452475 /nfs/dbraw/zinc/45/24/75/387452475.db2.gz YHWQOWCOQAOTLH-GFCCVEGCSA-N 0 3 242.363 0.411 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000423930833 387453315 /nfs/dbraw/zinc/45/33/15/387453315.db2.gz WZXGOTTVZRWDFQ-GUBZILKMSA-N 0 3 214.309 0.668 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)C(N)C(F)(F)F ZINC000423927270 387453731 /nfs/dbraw/zinc/45/37/31/387453731.db2.gz QRJDTGHBPANFIE-HCWXCVPCSA-N 0 3 228.214 0.416 20 0 BCADHN Cc1ccsc1CN1C[C@@H](O)C[C@@H]1CO ZINC000336618449 387458572 /nfs/dbraw/zinc/45/85/72/387458572.db2.gz JWHZEJISFJWJFQ-ZJUUUORDSA-N 0 3 227.329 0.984 20 0 BCADHN CC(C)N(CCN1CCNC1=O)[C@H]1CCOC1 ZINC000361415579 387459025 /nfs/dbraw/zinc/45/90/25/387459025.db2.gz OYZUKNYVRBCNPK-NSHDSACASA-N 0 3 241.335 0.511 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)nc(C)n1 ZINC000423613343 387387004 /nfs/dbraw/zinc/38/70/04/387387004.db2.gz PCTNIGCQTYLXKM-UWVGGRQHSA-N 0 3 248.330 0.916 20 0 BCADHN CN(C)CCSCCN1CCNC1=O ZINC000361006780 387387879 /nfs/dbraw/zinc/38/78/79/387387879.db2.gz LAMMURGWJAHBBC-UHFFFAOYSA-N 0 3 217.338 0.306 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2ccc(C)nn2)C1 ZINC000515493998 387388503 /nfs/dbraw/zinc/38/85/03/387388503.db2.gz FRENORIFIFGEDW-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN CC[C@@H]1CCCN([C@@H]2CC(=O)NC2=O)C1 ZINC000515497332 387390426 /nfs/dbraw/zinc/39/04/26/387390426.db2.gz XHJSIOLICNVXQJ-RKDXNWHRSA-N 0 3 210.277 0.524 20 0 BCADHN CCN(CC(C)(C)O)C(=O)C1CCN(C)CC1 ZINC000354537424 387391574 /nfs/dbraw/zinc/39/15/74/387391574.db2.gz DFWVJSIUWNIIRO-UHFFFAOYSA-N 0 3 242.363 0.948 20 0 BCADHN COC[C@@H](NC(=O)N[C@@H](C)CN(C)C)C1CC1 ZINC000354532574 387392283 /nfs/dbraw/zinc/39/22/83/387392283.db2.gz KAAAPRAMIJUAGR-GXSJLCMTSA-N 0 3 243.351 0.661 20 0 BCADHN Cn1ncc2c1CCC[C@H]2NCCC(N)=O ZINC000036746779 387393230 /nfs/dbraw/zinc/39/32/30/387393230.db2.gz ZTLFPSNFHPXHTA-SECBINFHSA-N 0 3 222.292 0.263 20 0 BCADHN C[C@@H](O)C[C@H](C)NCc1cnc2cnccn12 ZINC000361043991 387394904 /nfs/dbraw/zinc/39/49/04/387394904.db2.gz QNANMIZHVHHUEN-VHSXEESVSA-N 0 3 234.303 0.978 20 0 BCADHN C[C@H](CN(C)C)NC(=O)CCc1ccn(C)n1 ZINC000354568458 387396590 /nfs/dbraw/zinc/39/65/90/387396590.db2.gz CAXNWAZDYJDWNE-SNVBAGLBSA-N 0 3 238.335 0.419 20 0 BCADHN C[C@@H](O)COC(=O)CCN1CCOC[C@H](C)C1 ZINC000373858812 387398786 /nfs/dbraw/zinc/39/87/86/387398786.db2.gz JQOSWGBYUQTXLZ-GHMZBOCLSA-N 0 3 245.319 0.269 20 0 BCADHN CC(C)N(CCn1cncn1)[C@@H]1CCOC1 ZINC000361417958 387460403 /nfs/dbraw/zinc/46/04/03/387460403.db2.gz ZNFLSCHZXMJWQB-LLVKDONJSA-N 0 3 224.308 0.777 20 0 BCADHN CC(C)[C@H]1CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000336578090 387401603 /nfs/dbraw/zinc/40/16/03/387401603.db2.gz LXHLZRBSUIHYIR-BDAKNGLRSA-N 0 3 227.308 0.548 20 0 BCADHN CC(C)[C@H]1CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC000336578092 387401751 /nfs/dbraw/zinc/40/17/51/387401751.db2.gz LXHLZRBSUIHYIR-IUCAKERBSA-N 0 3 227.308 0.548 20 0 BCADHN O=C(COC1CNC1)Nc1ccc2c[nH]nc2c1 ZINC000423711324 387402258 /nfs/dbraw/zinc/40/22/58/387402258.db2.gz RGKLCSXYNXHQGY-UHFFFAOYSA-N 0 3 246.270 0.490 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000423730513 387402485 /nfs/dbraw/zinc/40/24/85/387402485.db2.gz PWEXPXLPFUCTOP-GFCCVEGCSA-N 0 3 249.314 0.591 20 0 BCADHN COC[C@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000354613215 387403851 /nfs/dbraw/zinc/40/38/51/387403851.db2.gz BUNYKYXDYGEUDA-VHSXEESVSA-N 0 3 229.324 0.415 20 0 BCADHN CCc1ncc(NC(=O)CNCC2CC2)cn1 ZINC000423733986 387405526 /nfs/dbraw/zinc/40/55/26/387405526.db2.gz AJPQXEIDYOQNRQ-UHFFFAOYSA-N 0 3 234.303 0.977 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)C1)N(C)C1CC1 ZINC000572407347 387407255 /nfs/dbraw/zinc/40/72/55/387407255.db2.gz JVFCLOWUNISHIC-NXEZZACHSA-N 0 3 238.331 0.955 20 0 BCADHN COCCNCC(=O)NC[C@H]1CCC[C@H]1OC ZINC000423745886 387407774 /nfs/dbraw/zinc/40/77/74/387407774.db2.gz NDJVOADUMRGWGU-GHMZBOCLSA-N 0 3 244.335 0.154 20 0 BCADHN CCCC[C@H](N)C(=O)N(CC)CC(=O)OC ZINC000423748970 387409215 /nfs/dbraw/zinc/40/92/15/387409215.db2.gz VEDXYWWWBARSKB-VIFPVBQESA-N 0 3 230.308 0.525 20 0 BCADHN NCC(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000423753365 387411001 /nfs/dbraw/zinc/41/10/01/387411001.db2.gz BPTUDIFGNXVSRV-ZDUSSCGKSA-N 0 3 248.326 0.805 20 0 BCADHN CN(C)CC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000336585705 387412439 /nfs/dbraw/zinc/41/24/39/387412439.db2.gz PSMFANRZXSZZRD-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCC1(C(=O)OC)CC1 ZINC000423758018 387412569 /nfs/dbraw/zinc/41/25/69/387412569.db2.gz DVJLOQQKHGTIAX-RKDXNWHRSA-N 0 3 242.319 0.429 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCC1(C(=O)OC)CC1 ZINC000423758016 387412618 /nfs/dbraw/zinc/41/26/18/387412618.db2.gz DVJLOQQKHGTIAX-IUCAKERBSA-N 0 3 242.319 0.429 20 0 BCADHN COC[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000354660232 387413014 /nfs/dbraw/zinc/41/30/14/387413014.db2.gz NDBTVVGMGPBUKW-GARJFASQSA-N 0 3 243.351 0.803 20 0 BCADHN COC(=O)C1(CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000423758586 387413350 /nfs/dbraw/zinc/41/33/50/387413350.db2.gz GFJLMAWMRNARET-QMMMGPOBSA-N 0 3 228.292 0.039 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)c1ccn(C)n1 ZINC000515651837 387413526 /nfs/dbraw/zinc/41/35/26/387413526.db2.gz WLGXYCBIQHNXTK-MRVPVSSYSA-N 0 3 210.281 0.510 20 0 BCADHN CC(C)(C)[C@H](O)CNC(=O)C(N)C(F)(F)F ZINC000423759150 387413993 /nfs/dbraw/zinc/41/39/93/387413993.db2.gz ODBIUHZJXKHZDM-RITPCOANSA-N 0 3 242.241 0.399 20 0 BCADHN COC(=O)C1(CNC(=O)[C@H](N)C(C)C)CC1 ZINC000423758584 387414106 /nfs/dbraw/zinc/41/41/06/387414106.db2.gz GFJLMAWMRNARET-MRVPVSSYSA-N 0 3 228.292 0.039 20 0 BCADHN C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000423760668 387414218 /nfs/dbraw/zinc/41/42/18/387414218.db2.gz QPIQBRKZDIDMGA-VHSXEESVSA-N 0 3 249.314 0.792 20 0 BCADHN CCN(C)C(=O)CN1CCCC[C@H](CO)C1 ZINC000374051444 387414352 /nfs/dbraw/zinc/41/43/52/387414352.db2.gz PNCNCVAYOOWDEE-NSHDSACASA-N 0 3 228.336 0.559 20 0 BCADHN CC[C@@H](C)CCC(=O)NC[C@]1(O)CCN(C)C1 ZINC000354669986 387414626 /nfs/dbraw/zinc/41/46/26/387414626.db2.gz AFNRHCYAYNBTJI-DGCLKSJQSA-N 0 3 242.363 0.996 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000423763247 387415639 /nfs/dbraw/zinc/41/56/39/387415639.db2.gz PMIKOBJUNXDVEV-GFCCVEGCSA-N 0 3 249.314 0.873 20 0 BCADHN CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000423765118 387415951 /nfs/dbraw/zinc/41/59/51/387415951.db2.gz YPDJPOYBJPHINZ-VHSXEESVSA-N 0 3 249.314 0.792 20 0 BCADHN Cc1ncsc1CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000515668051 387416019 /nfs/dbraw/zinc/41/60/19/387416019.db2.gz ZZNABCHUBPWXPM-UWVGGRQHSA-N 0 3 241.360 0.558 20 0 BCADHN COC(=O)C1(CNC(=O)[C@H](N)C2CCC2)CC1 ZINC000423765648 387416172 /nfs/dbraw/zinc/41/61/72/387416172.db2.gz UKSHAVJXCACPQE-SECBINFHSA-N 0 3 240.303 0.183 20 0 BCADHN O=C1NCC[C@@H]1CCN[C@@H](CO)c1ccccc1 ZINC000395778930 387416428 /nfs/dbraw/zinc/41/64/28/387416428.db2.gz BWUKVLBEJWNLFG-STQMWFEESA-N 0 3 248.326 0.836 20 0 BCADHN O=C1NCC[C@H]1CCN[C@@H](CO)c1ccccc1 ZINC000395778927 387416752 /nfs/dbraw/zinc/41/67/52/387416752.db2.gz BWUKVLBEJWNLFG-OLZOCXBDSA-N 0 3 248.326 0.836 20 0 BCADHN CCC[C@@H](N)C(=O)N(CCC(=O)OC)C(C)C ZINC000423764681 387416867 /nfs/dbraw/zinc/41/68/67/387416867.db2.gz XSGROZPJPSPVED-SNVBAGLBSA-N 0 3 244.335 0.914 20 0 BCADHN NC(C(=O)N[C@H]1CCCC[C@@H]1O)C(F)(F)F ZINC000423768620 387418448 /nfs/dbraw/zinc/41/84/48/387418448.db2.gz FIKMBERAENEBRM-ACZMJKKPSA-N 0 3 240.225 0.296 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)[C@H]1CC1(C)C ZINC000423771155 387419969 /nfs/dbraw/zinc/41/99/69/387419969.db2.gz HYWIKSDWAYFHNM-YUMQZZPRSA-N 0 3 200.282 0.217 20 0 BCADHN COCCN(C)CCNC(=O)C[C@H](C)SC ZINC000162564258 387420073 /nfs/dbraw/zinc/42/00/73/387420073.db2.gz KCYNENKPNVQKAI-JTQLQIEISA-N 0 3 248.392 0.822 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)c1cnn(C)c1C ZINC000037001476 387420961 /nfs/dbraw/zinc/42/09/61/387420961.db2.gz CYSKXFFPSKZSHG-OIBJUYFYSA-N 0 3 224.308 0.643 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(N(C)C)nc1 ZINC000037020109 387421263 /nfs/dbraw/zinc/42/12/63/387421263.db2.gz MNOMGFFPNGIMNW-VIFPVBQESA-N 0 3 222.292 0.823 20 0 BCADHN CCOC[C@H](NC(=O)COC1CNC1)C(C)C ZINC000423772538 387421212 /nfs/dbraw/zinc/42/12/12/387421212.db2.gz HWKHTHDTFKSXHC-NSHDSACASA-N 0 3 244.335 0.152 20 0 BCADHN C[C@H]1CCN(C(=O)CCOC2CNC2)C[C@H]1C ZINC000423773394 387422077 /nfs/dbraw/zinc/42/20/77/387422077.db2.gz MEHJYVCXQSDOQF-WDEREUQCSA-N 0 3 240.347 0.869 20 0 BCADHN CCC[C@H](N)C(=O)NCCCC(=O)OC(C)C ZINC000423777748 387422457 /nfs/dbraw/zinc/42/24/57/387422457.db2.gz BZJOMYMODDCUHS-JTQLQIEISA-N 0 3 244.335 0.962 20 0 BCADHN Cc1c[nH]c(NC(=O)[C@H]2CN3CCN2CCC3)n1 ZINC000367194190 387494973 /nfs/dbraw/zinc/49/49/73/387494973.db2.gz ALJQEWGWZTWWFL-SNVBAGLBSA-N 0 3 249.318 0.047 20 0 BCADHN C[C@]1(C(N)=O)CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000361568927 387495796 /nfs/dbraw/zinc/49/57/96/387495796.db2.gz YPKZYIPEXYUIOR-SVRRBLITSA-N 0 3 240.225 0.107 20 0 BCADHN COC[C@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000352805332 387496901 /nfs/dbraw/zinc/49/69/01/387496901.db2.gz KWYCSBBROARLGN-SDDRHHMPSA-N 0 3 240.347 0.822 20 0 BCADHN C[C@H](CN[C@H](CO)C(C)(C)C)S(C)(=O)=O ZINC000516291235 387497796 /nfs/dbraw/zinc/49/77/96/387497796.db2.gz MTEQNAGVGJSEFZ-RKDXNWHRSA-N 0 3 237.365 0.416 20 0 BCADHN C[C@H]1OCC[C@@H]1N(CCO)CCOCC1CC1 ZINC000361576027 387498483 /nfs/dbraw/zinc/49/84/83/387498483.db2.gz FAJFRNUTHFCDFL-YPMHNXCESA-N 0 3 243.347 0.885 20 0 BCADHN CCN(C[C@H](C)OC)[C@@H]1CCNC1=O ZINC000361576962 387499973 /nfs/dbraw/zinc/49/99/73/387499973.db2.gz 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COC(=O)C1(C)CN([C@H](C)[C@H](C)O)C1 ZINC000424127432 387604316 /nfs/dbraw/zinc/60/43/16/387604316.db2.gz DBTOUTPPSMYUAQ-SFYZADRCSA-N 0 3 201.266 0.251 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C ZINC000356004610 387604791 /nfs/dbraw/zinc/60/47/91/387604791.db2.gz GUUXLVAALYVQOY-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN Cn1cncc1C(=O)NCCN1CCCC1 ZINC000362388782 387605247 /nfs/dbraw/zinc/60/52/47/387605247.db2.gz IYWVZDKQFZFPLP-UHFFFAOYSA-N 0 3 222.292 0.246 20 0 BCADHN COCC[C@H](C)NCC(=O)NCc1ccco1 ZINC000124109980 387606494 /nfs/dbraw/zinc/60/64/94/387606494.db2.gz PNLIGBNKQSLHKX-JTQLQIEISA-N 0 3 240.303 0.910 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCCOCC1 ZINC000376084838 387607020 /nfs/dbraw/zinc/60/70/20/387607020.db2.gz QXLQFSKFALQFCI-JTQLQIEISA-N 0 3 214.309 0.481 20 0 BCADHN C[C@H](CCN1CCOCC1)NCc1ncc[nH]1 ZINC000124196890 387607744 /nfs/dbraw/zinc/60/77/44/387607744.db2.gz KISAYHWAGSPVHN-LLVKDONJSA-N 0 3 238.335 0.610 20 0 BCADHN C[C@@H](CCN1CCOCC1)NCc1ncc[nH]1 ZINC000124196666 387608336 /nfs/dbraw/zinc/60/83/36/387608336.db2.gz KISAYHWAGSPVHN-NSHDSACASA-N 0 3 238.335 0.610 20 0 BCADHN CN1C(=O)[C@@H]2CN(CC(C)(C)C)CCN2C1=O ZINC000376160759 387611653 /nfs/dbraw/zinc/61/16/53/387611653.db2.gz DUYNJPBTKCPQEI-VIFPVBQESA-N 0 3 239.319 0.611 20 0 BCADHN CC1(C)CCC[C@H]1NC(=O)COC1CNC1 ZINC000430392626 387614636 /nfs/dbraw/zinc/61/46/36/387614636.db2.gz JKXWRZPDENPHPH-SNVBAGLBSA-N 0 3 226.320 0.670 20 0 BCADHN CCO[C@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000356214687 387629429 /nfs/dbraw/zinc/62/94/29/387629429.db2.gz HTRXXPJINGNTHO-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000430381620 387615321 /nfs/dbraw/zinc/61/53/21/387615321.db2.gz ZUPGYWSZRMKFOA-BXKDBHETSA-N 0 3 241.335 0.241 20 0 BCADHN CO[C@@H](C)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425059113 387615763 /nfs/dbraw/zinc/61/57/63/387615763.db2.gz QLHADVANHHLEFV-GARJFASQSA-N 0 3 226.320 0.574 20 0 BCADHN CCN(CC)[C@@H](C)CNS(=O)(=O)C1CC1 ZINC000122909872 387616758 /nfs/dbraw/zinc/61/67/58/387616758.db2.gz NAOTYLWSSJJKLW-VIFPVBQESA-N 0 3 234.365 0.799 20 0 BCADHN C[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)C[C@H]1C ZINC000430411985 387616861 /nfs/dbraw/zinc/61/68/61/387616861.db2.gz BNRGNVSCPOWBGR-IJLUTSLNSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@@H]1CCC[C@@H]1NC(=O)COC1CNC1 ZINC000430426602 387617310 /nfs/dbraw/zinc/61/73/10/387617310.db2.gz MWEDKHZJRZLAIG-KOLCDFICSA-N 0 3 226.320 0.670 20 0 BCADHN CN(C)CCN(C)C(=O)NCC1(C)COC1 ZINC000356121529 387617619 /nfs/dbraw/zinc/61/76/19/387617619.db2.gz WQXIPTYHCWKEPL-UHFFFAOYSA-N 0 3 229.324 0.226 20 0 BCADHN CC[C@H](C)C[C@H](C)NC(=O)COC1CNC1 ZINC000430412215 387617681 /nfs/dbraw/zinc/61/76/81/387617681.db2.gz WUDSNPUWXQRINL-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@H]1CCC[C@H]1NC(=O)COC1CNC1 ZINC000430426601 387617811 /nfs/dbraw/zinc/61/78/11/387617811.db2.gz MWEDKHZJRZLAIG-GXSJLCMTSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H](CNC(=O)c1cccc(CO)c1)N(C)C ZINC000362491760 387619192 /nfs/dbraw/zinc/61/91/92/387619192.db2.gz FNJFOBMUFHCMEB-JTQLQIEISA-N 0 3 236.315 0.859 20 0 BCADHN CS(=O)(=O)NCc1ccc2c(c1)CNC2 ZINC000162932144 387619931 /nfs/dbraw/zinc/61/99/31/387619931.db2.gz KDJNMCOZEPWJBP-UHFFFAOYSA-N 0 3 226.301 0.339 20 0 BCADHN O=C(CN1CCC2(CCC2)C1)N1CCNC1=O ZINC000122932714 387620122 /nfs/dbraw/zinc/62/01/22/387620122.db2.gz ATQBCYIRTZFCNN-UHFFFAOYSA-N 0 3 237.303 0.414 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000362516613 387623089 /nfs/dbraw/zinc/62/30/89/387623089.db2.gz QXVIMLRFYQUQNZ-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](O)CC(C)(C)CNC(=O)NCCN(C)C ZINC000305641694 387623780 /nfs/dbraw/zinc/62/37/80/387623780.db2.gz BLYJGJWRCCCWAF-JTQLQIEISA-N 0 3 245.367 0.644 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CO)CC(F)F ZINC000430536388 387624760 /nfs/dbraw/zinc/62/47/60/387624760.db2.gz XISWADUKCGVDPI-MRVPVSSYSA-N 0 3 238.278 0.461 20 0 BCADHN CNCC(=O)N[C@H](C)Cc1cccc(OC)c1 ZINC000430528625 387625037 /nfs/dbraw/zinc/62/50/37/387625037.db2.gz ZMNQQFMHIRSMQF-SNVBAGLBSA-N 0 3 236.315 0.962 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CO)CC(F)F ZINC000430536389 387625795 /nfs/dbraw/zinc/62/57/95/387625795.db2.gz XISWADUKCGVDPI-QMMMGPOBSA-N 0 3 238.278 0.461 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](CO)C1 ZINC000305688253 387626873 /nfs/dbraw/zinc/62/68/73/387626873.db2.gz MOPXZGRILYOQFK-SNVBAGLBSA-N 0 3 214.309 0.169 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)[C@@H](O)C1CCC1 ZINC000422040991 387545676 /nfs/dbraw/zinc/54/56/76/387545676.db2.gz SVNNSMRIYLSBIM-NEPJUHHUSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@@H](O)CC(=O)N(C)C[C@@H]1CCCN1C ZINC000422034001 387545714 /nfs/dbraw/zinc/54/57/14/387545714.db2.gz IOVKFKLRGFQGQB-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN CCCN(CC(F)F)C(=O)[C@@H]1C[C@@H]1N ZINC000424112007 387545841 /nfs/dbraw/zinc/54/58/41/387545841.db2.gz HXMWHDDBJYRJKS-RQJHMYQMSA-N 0 3 206.236 0.837 20 0 BCADHN CN(C(=O)[C@@H]1C[C@@H]1N)C(C1CC1)C1CC1 ZINC000424112127 387545951 /nfs/dbraw/zinc/54/59/51/387545951.db2.gz IUIDFPNOHXRHNP-ZJUUUORDSA-N 0 3 208.305 0.981 20 0 BCADHN CN(C)C(=O)CC(=O)N(C)C[C@H]1CCCN1C ZINC000422042203 387547612 /nfs/dbraw/zinc/54/76/12/387547612.db2.gz VMNCYRJCDWRHNQ-SNVBAGLBSA-N 0 3 241.335 0.017 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)CCCC(N)=O)C1 ZINC000361882088 387548822 /nfs/dbraw/zinc/54/88/22/387548822.db2.gz ZCZFDEVLUBRDLD-JTQLQIEISA-N 0 3 241.335 0.195 20 0 BCADHN CCC[C@@H]1CN(CCCO)CCN1CCCO ZINC000305082190 387548853 /nfs/dbraw/zinc/54/88/53/387548853.db2.gz MTLRDVFCIQIGCZ-CYBMUJFWSA-N 0 3 244.379 0.538 20 0 BCADHN CCCN1CC[C@@H](NC(=O)C(C)(C)O)C1 ZINC000389760041 387549456 /nfs/dbraw/zinc/54/94/56/387549456.db2.gz XZVHENFSXHSULB-SECBINFHSA-N 0 3 214.309 0.358 20 0 BCADHN OCCCCN1CCC(O)(C(F)F)CC1 ZINC000426262890 387551976 /nfs/dbraw/zinc/55/19/76/387551976.db2.gz ZBRJKANBMQARRA-UHFFFAOYSA-N 0 3 223.263 0.851 20 0 BCADHN C[C@H]1CCN(CCC(=O)N(C)C)[C@@H](C(N)=O)C1 ZINC000426262130 387552481 /nfs/dbraw/zinc/55/24/81/387552481.db2.gz VKHBFPMQNZKNMY-VHSXEESVSA-N 0 3 241.335 0.051 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000361939113 387554245 /nfs/dbraw/zinc/55/42/45/387554245.db2.gz LWSIRDNPGNNWRT-HBNTYKKESA-N 0 3 242.319 0.130 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CCSC1 ZINC000355593530 387555413 /nfs/dbraw/zinc/55/54/13/387555413.db2.gz CKKGIABDOHJLEF-UWVGGRQHSA-N 0 3 245.392 0.989 20 0 BCADHN CN(Cc1ccco1)C(=O)[C@@]1(F)CCNC1 ZINC000119507797 387555907 /nfs/dbraw/zinc/55/59/07/387555907.db2.gz QLAKNWCPZAZDPE-LLVKDONJSA-N 0 3 226.251 0.940 20 0 BCADHN COC[C@@](C)(CCO)NCc1cnn(C)c1C ZINC000305114700 387556206 /nfs/dbraw/zinc/55/62/06/387556206.db2.gz HLBCVCWMOHCHQS-GFCCVEGCSA-N 0 3 241.335 0.606 20 0 BCADHN CCCCN(C)CCNC(=O)CCCC(N)=O ZINC000426350764 387557968 /nfs/dbraw/zinc/55/79/68/387557968.db2.gz YLHRTIBUGQHMQI-UHFFFAOYSA-N 0 3 243.351 0.490 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@]1(F)CCNC1 ZINC000305137051 387558814 /nfs/dbraw/zinc/55/88/14/387558814.db2.gz UKSMIRDNAZXLGA-KOLCDFICSA-N 0 3 232.299 0.213 20 0 BCADHN C[C@H](O)CN(C)C(=O)NC[C@H]1CCCN1C ZINC000361992774 387560085 /nfs/dbraw/zinc/56/00/85/387560085.db2.gz KMBJTUTVRFHMAD-VHSXEESVSA-N 0 3 229.324 0.103 20 0 BCADHN Cc1ccnc(C(=O)NC[C@@H]2CCCN(C)C2)n1 ZINC000527452050 387560316 /nfs/dbraw/zinc/56/03/16/387560316.db2.gz NAIKVAJGTREHBN-NSHDSACASA-N 0 3 248.330 0.857 20 0 BCADHN C[C@H](O)CN(C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000362008543 387561033 /nfs/dbraw/zinc/56/10/33/387561033.db2.gz GRVVLDPLKQGOHY-DCAQKATOSA-N 0 3 243.351 0.491 20 0 BCADHN CCO[C@H]1COCC[C@H]1NCC(=O)NC(C)C ZINC000362012475 387561160 /nfs/dbraw/zinc/56/11/60/387561160.db2.gz HIEORFPKXIQMQE-MNOVXSKESA-N 0 3 244.335 0.295 20 0 BCADHN C[C@H](O)CN1CCCC[C@@H]1Cn1ccnn1 ZINC000375621390 387561208 /nfs/dbraw/zinc/56/12/08/387561208.db2.gz SCDQZBSHEGHAMK-WDEREUQCSA-N 0 3 224.308 0.513 20 0 BCADHN CCO[C@H]1COCC[C@H]1NCC(=O)N(C)CC ZINC000362011172 387561210 /nfs/dbraw/zinc/56/12/10/387561210.db2.gz DVDPYMIIPKJSMA-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN CC(C)CC[C@@H](O)CN1C[C@H](O)C[C@H]1CO ZINC000375627683 387562011 /nfs/dbraw/zinc/56/20/11/387562011.db2.gz KCSVKYJTAKOXEL-QJPTWQEYSA-N 0 3 231.336 0.211 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)CO ZINC000305149707 387562579 /nfs/dbraw/zinc/56/25/79/387562579.db2.gz OMIOLZOGHPROPY-VHSXEESVSA-N 0 3 216.325 0.460 20 0 BCADHN O=C1NC[C@@H]2[C@H]1CCCN2CCCCF ZINC000375665505 387564060 /nfs/dbraw/zinc/56/40/60/387564060.db2.gz MUGALXOYMXXMML-NXEZZACHSA-N 0 3 214.284 0.947 20 0 BCADHN C[C@H](F)CCN1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000375663957 387564448 /nfs/dbraw/zinc/56/44/48/387564448.db2.gz KTKNOGYBUCYRRD-IVZWLZJFSA-N 0 3 230.283 0.324 20 0 BCADHN C[C@H](F)CCN1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000375663794 387564759 /nfs/dbraw/zinc/56/47/59/387564759.db2.gz KTKNOGYBUCYRRD-AEJSXWLSSA-N 0 3 230.283 0.324 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)C1CCOCC1 ZINC000362062026 387565109 /nfs/dbraw/zinc/56/51/09/387565109.db2.gz COILEDAMCLNKMB-OTYXRUKQSA-N 0 3 219.350 0.864 20 0 BCADHN C[C@H](F)CCN1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000375663958 387565572 /nfs/dbraw/zinc/56/55/72/387565572.db2.gz KTKNOGYBUCYRRD-LPEHRKFASA-N 0 3 230.283 0.324 20 0 BCADHN CC(=O)CSCC(=O)N[C@H](C)CCN(C)C ZINC000426410532 387566908 /nfs/dbraw/zinc/56/69/08/387566908.db2.gz MCBXBDBYRLFHKF-SECBINFHSA-N 0 3 246.376 0.765 20 0 BCADHN C[C@@H](CNC(=O)c1cccnn1)N(C)C1CC1 ZINC000528396904 387568274 /nfs/dbraw/zinc/56/82/74/387568274.db2.gz SOVITOBIACXUMU-VIFPVBQESA-N 0 3 234.303 0.689 20 0 BCADHN C[C@H](NC[C@H](O)CN(C)C)c1ccccn1 ZINC000037889238 387568561 /nfs/dbraw/zinc/56/85/61/387568561.db2.gz ISDMZJWHMJCZGF-QWRGUYRKSA-N 0 3 223.320 0.655 20 0 BCADHN COC(=O)[C@H](C1CC1)N1C[C@H](C)[C@@H](CO)C1 ZINC000362076063 387568947 /nfs/dbraw/zinc/56/89/47/387568947.db2.gz KDXGZJBPYZFUKB-GDPRMGEGSA-N 0 3 227.304 0.498 20 0 BCADHN COC[C@H](C)NC[C@@](C)(O)C(=O)OC(C)(C)C ZINC000362089377 387570319 /nfs/dbraw/zinc/57/03/19/387570319.db2.gz IGMMFMWPVHNNPX-JOYOIKCWSA-N 0 3 247.335 0.704 20 0 BCADHN C[C@@H](CNC(=O)CCCC(N)=O)N(C)C1CC1 ZINC000362096651 387571426 /nfs/dbraw/zinc/57/14/26/387571426.db2.gz NKQFAJRHAKBJCE-VIFPVBQESA-N 0 3 241.335 0.241 20 0 BCADHN CCCCCNC(=O)CN1C[C@H](C)[C@H](CO)C1 ZINC000362091294 387571590 /nfs/dbraw/zinc/57/15/90/387571590.db2.gz SWRCGKBVHDXIGE-RYUDHWBXSA-N 0 3 242.363 0.853 20 0 BCADHN CCN(C)C(=O)CN1C[C@H](CO)[C@H](C)C1 ZINC000362089463 387571843 /nfs/dbraw/zinc/57/18/43/387571843.db2.gz UEHAZGRTFYFJLW-NXEZZACHSA-N 0 3 214.309 0.025 20 0 BCADHN C[C@@H]1CN(CCC2CC2)CCN1CCO ZINC000426463897 387572530 /nfs/dbraw/zinc/57/25/30/387572530.db2.gz ZIBZSGDKFOQORR-LLVKDONJSA-N 0 3 212.337 0.785 20 0 BCADHN CC[C@H](C(=O)N(C)C[C@@H]1CCCN1C)[C@H](C)O ZINC000422133201 387573968 /nfs/dbraw/zinc/57/39/68/387573968.db2.gz LDYULYDIKGTNOZ-SRVKXCTJSA-N 0 3 242.363 0.946 20 0 BCADHN CCN(CCO)CCNC(=O)C[C@H]1C[C@H]1C ZINC000355748177 387577510 /nfs/dbraw/zinc/57/75/10/387577510.db2.gz JHGNNCVWQMNNEE-GHMZBOCLSA-N 0 3 228.336 0.463 20 0 BCADHN CC(C)SCCN1CCOC[C@H](O)C1 ZINC000399915466 387577662 /nfs/dbraw/zinc/57/76/62/387577662.db2.gz GWDFHVAIAWQKHV-SNVBAGLBSA-N 0 3 219.350 0.821 20 0 BCADHN C[Si](C)(C)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000375751607 387578039 /nfs/dbraw/zinc/57/80/39/387578039.db2.gz UPSZHPDSVUDKHL-VHSXEESVSA-N 0 3 247.436 0.983 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000336705644 387579854 /nfs/dbraw/zinc/57/98/54/387579854.db2.gz DIVVKOWSAGHMFC-BJDJZHNGSA-N 0 3 238.331 0.907 20 0 BCADHN CCO[C@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000356214686 387629932 /nfs/dbraw/zinc/62/99/32/387629932.db2.gz HTRXXPJINGNTHO-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN CCN(CCNC(=O)N(C)[C@@H](C)CO)C1CC1 ZINC000305700301 387631563 /nfs/dbraw/zinc/63/15/63/387631563.db2.gz BIXZEKDDTBSMFY-JTQLQIEISA-N 0 3 243.351 0.493 20 0 BCADHN CCC[C@H](O)CN[C@H]1CCN[C@@H]1C(=O)OCC ZINC000422719917 387632413 /nfs/dbraw/zinc/63/24/13/387632413.db2.gz YVZLUOXQJKVLJG-DCAQKATOSA-N 0 3 244.335 0.031 20 0 BCADHN CC[C@H]1CC[C@H](C(=O)NCCN(C)C)O1 ZINC000362569538 387632655 /nfs/dbraw/zinc/63/26/55/387632655.db2.gz 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0.818 20 0 BCADHN CC[C@H](NC(=O)COC1CNC1)c1ccncc1 ZINC000430740963 387647377 /nfs/dbraw/zinc/64/73/77/387647377.db2.gz RIADVYBUDWISFM-LBPRGKRZSA-N 0 3 249.314 0.637 20 0 BCADHN CN1CCC(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 ZINC000356372772 387649550 /nfs/dbraw/zinc/64/95/50/387649550.db2.gz YPKSQXQIJFGHQD-IJLUTSLNSA-N 0 3 238.331 0.622 20 0 BCADHN O=C1CC[C@H]2CN(CCO)CC[C@H]2N1C1CC1 ZINC000125280368 387650021 /nfs/dbraw/zinc/65/00/21/387650021.db2.gz NMFAXDOOQSTVTP-CMPLNLGQSA-N 0 3 238.331 0.454 20 0 BCADHN CC(C)OCCN(C)CC(C)(CO)CO ZINC000149146282 387650085 /nfs/dbraw/zinc/65/00/85/387650085.db2.gz PPYKDVJQMJOMEY-UHFFFAOYSA-N 0 3 219.325 0.334 20 0 BCADHN Cc1cc(CNC[C@@H]2COCCO2)ccn1 ZINC000527641166 387650749 /nfs/dbraw/zinc/65/07/49/387650749.db2.gz LJWQWDNNGVUPPT-GFCCVEGCSA-N 0 3 222.288 0.895 20 0 BCADHN C[C@@H]1OCCN(C(=O)[C@]2(F)CCNC2)[C@H]1C ZINC000125331353 387651708 /nfs/dbraw/zinc/65/17/08/387651708.db2.gz XIJYLUIZUQBYMU-QXEWZRGKSA-N 0 3 230.283 0.324 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@@H](O)[C@H]1CCCO1 ZINC000527756944 387695333 /nfs/dbraw/zinc/69/53/33/387695333.db2.gz HKESHKKPLZMZGH-VXGBXAGGSA-N 0 3 239.319 0.656 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)C[C@@H]1CCCC[C@H]1O ZINC000305786782 387652878 /nfs/dbraw/zinc/65/28/78/387652878.db2.gz BEGRNZDURWXCIQ-GRYCIOLGSA-N 0 3 242.363 0.946 20 0 BCADHN Cn1cnnc1NC(=O)C1CCN(C2CC2)CC1 ZINC000362737356 387654786 /nfs/dbraw/zinc/65/47/86/387654786.db2.gz YBGGOHDIXVLYND-UHFFFAOYSA-N 0 3 249.318 0.628 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H]1CCCn2ncnc21 ZINC000430804409 387654857 /nfs/dbraw/zinc/65/48/57/387654857.db2.gz DNZCJIMHMSTNCK-IUCAKERBSA-N 0 3 237.307 0.357 20 0 BCADHN Cc1cn[nH]c1CN1CCN(CCO)[C@@H](C)C1 ZINC000356409221 387655401 /nfs/dbraw/zinc/65/54/01/387655401.db2.gz KEEATCCUOFUTEI-NSHDSACASA-N 0 3 238.335 0.217 20 0 BCADHN CNCC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000430883050 387656590 /nfs/dbraw/zinc/65/65/90/387656590.db2.gz ORUQLERSTRVIMS-QMMMGPOBSA-N 0 3 241.316 0.262 20 0 BCADHN CCN(C)CCNC(=O)[C@@](C)(O)C1CCC1 ZINC000362770540 387657833 /nfs/dbraw/zinc/65/78/33/387657833.db2.gz STYSXEWHHWDKGB-LBPRGKRZSA-N 0 3 228.336 0.605 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NCCCSC ZINC000422754629 387658014 /nfs/dbraw/zinc/65/80/14/387658014.db2.gz JQAMJSGKIRCEJM-NXEZZACHSA-N 0 3 246.376 0.623 20 0 BCADHN CCN(C)CCNC(=O)c1conc1COC ZINC000362770635 387658296 /nfs/dbraw/zinc/65/82/96/387658296.db2.gz TYZHVEOQZLHUAV-UHFFFAOYSA-N 0 3 241.291 0.503 20 0 BCADHN Cn1cncc1CNC[C@H](O)[C@H]1CCCO1 ZINC000527757510 387695586 /nfs/dbraw/zinc/69/55/86/387695586.db2.gz JWQHXTFGKVXYRP-WDEREUQCSA-N 0 3 225.292 0.050 20 0 BCADHN CC[C@H](C)CNC(=O)C1(N)CCOCC1 ZINC000149718876 387666010 /nfs/dbraw/zinc/66/60/10/387666010.db2.gz GWKTVYWBWPKBJW-VIFPVBQESA-N 0 3 214.309 0.657 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000367400670 387668334 /nfs/dbraw/zinc/66/83/34/387668334.db2.gz DPGROMKAGXNCTH-WOPDTQHZSA-N 0 3 240.347 0.999 20 0 BCADHN CN(C)CCN(C)C(=O)c1cccc(CO)c1 ZINC000362877403 387668425 /nfs/dbraw/zinc/66/84/25/387668425.db2.gz PPNZKDGUWJXBPD-UHFFFAOYSA-N 0 3 236.315 0.813 20 0 BCADHN C[C@@H](Cc1ccncc1)NC(=O)[C@@H]1C[C@@H]1N ZINC000424137945 387668435 /nfs/dbraw/zinc/66/84/35/387668435.db2.gz CPFURONYWQQZRG-GDPRMGEGSA-N 0 3 219.288 0.476 20 0 BCADHN Cc1nccn1C[C@@H]1CCCN1C(=O)CN ZINC000431010871 387669450 /nfs/dbraw/zinc/66/94/50/387669450.db2.gz SFQLKKHXDQNPJN-JTQLQIEISA-N 0 3 222.292 0.141 20 0 BCADHN O[C@H](CNCc1cncs1)[C@@H]1CCCO1 ZINC000527756920 387696017 /nfs/dbraw/zinc/69/60/17/387696017.db2.gz GSKDSWDIOGLXSW-ZJUUUORDSA-N 0 3 228.317 0.773 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000424138337 387671946 /nfs/dbraw/zinc/67/19/46/387671946.db2.gz MLBXVELXLWWELY-VHSXEESVSA-N 0 3 243.270 0.757 20 0 BCADHN CN(Cc1cnccn1)C(=O)C1(N)CCCC1 ZINC000431039119 387672304 /nfs/dbraw/zinc/67/23/04/387672304.db2.gz QKBMQJXVXFAPAK-UHFFFAOYSA-N 0 3 234.303 0.707 20 0 BCADHN CC[C@H](N)C(=O)NCc1nccn1C(F)F ZINC000431037654 387673354 /nfs/dbraw/zinc/67/33/54/387673354.db2.gz LIHZVSHTICAJRO-LURJTMIESA-N 0 3 232.234 0.632 20 0 BCADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CN)C1 ZINC000431062286 387673769 /nfs/dbraw/zinc/67/37/69/387673769.db2.gz OWVPERCRURIVJY-YPMHNXCESA-N 0 3 247.342 0.897 20 0 BCADHN Cc1ncc(CNC(=O)COC2CNC2)s1 ZINC000431062160 387675530 /nfs/dbraw/zinc/67/55/30/387675530.db2.gz ZSAGSZDGRDBNMY-UHFFFAOYSA-N 0 3 241.316 0.056 20 0 BCADHN CCn1cncc1CNC[C@@H](O)[C@H]1CCCO1 ZINC000527756823 387696068 /nfs/dbraw/zinc/69/60/68/387696068.db2.gz LYROCAFMUIIFAI-VXGBXAGGSA-N 0 3 239.319 0.533 20 0 BCADHN COCCN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451903631 387675744 /nfs/dbraw/zinc/67/57/44/387675744.db2.gz JKESBZOLZNCMBX-SFYZADRCSA-N 0 3 227.226 0.878 20 0 BCADHN CSC[C@H](O)CN1CCCC[C@H]1C(=N)NO ZINC000376936099 387679124 /nfs/dbraw/zinc/67/91/24/387679124.db2.gz BBERHCYFWMTTPB-BDAKNGLRSA-N 0 3 247.364 0.521 20 0 BCADHN CC(C(=O)N[C@@H]1C[C@H]1C1CC1)S(C)(=O)=O ZINC000431140857 387680334 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387746774 /nfs/dbraw/zinc/74/67/74/387746774.db2.gz OVQVKIWIJUVXPM-YUMQZZPRSA-N 0 3 223.280 0.076 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1nnc[n-]1 ZINC000267741757 387746780 /nfs/dbraw/zinc/74/67/80/387746780.db2.gz OVQVKIWIJUVXPM-YUMQZZPRSA-N 0 3 223.280 0.076 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CCCN1C)c1nnc[nH]1 ZINC000267741757 387746786 /nfs/dbraw/zinc/74/67/86/387746786.db2.gz OVQVKIWIJUVXPM-YUMQZZPRSA-N 0 3 223.280 0.076 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCCN1C)c1nc[nH]n1 ZINC000267741754 387747134 /nfs/dbraw/zinc/74/71/34/387747134.db2.gz OVQVKIWIJUVXPM-SFYZADRCSA-N 0 3 223.280 0.076 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1nnc[n-]1 ZINC000267741754 387747142 /nfs/dbraw/zinc/74/71/42/387747142.db2.gz OVQVKIWIJUVXPM-SFYZADRCSA-N 0 3 223.280 0.076 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1nnc[n-]1 ZINC000267741754 387747148 /nfs/dbraw/zinc/74/71/48/387747148.db2.gz OVQVKIWIJUVXPM-SFYZADRCSA-N 0 3 223.280 0.076 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCCN1C)c1nnc[nH]1 ZINC000267741754 387747153 /nfs/dbraw/zinc/74/71/53/387747153.db2.gz OVQVKIWIJUVXPM-SFYZADRCSA-N 0 3 223.280 0.076 20 0 BCADHN C[C@@H]1CN(CCO)CCN1CC1CCC1 ZINC000452122738 387748520 /nfs/dbraw/zinc/74/85/20/387748520.db2.gz USJUZAAFSWXSCN-LLVKDONJSA-N 0 3 212.337 0.785 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@](F)(CO)C1 ZINC000367748320 387750709 /nfs/dbraw/zinc/75/07/09/387750709.db2.gz YOQVGVYOMGTHMC-LBPRGKRZSA-N 0 3 246.326 0.651 20 0 BCADHN CO[C@H](C)CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000367795066 387752182 /nfs/dbraw/zinc/75/21/82/387752182.db2.gz NYGXBOPYDILUMC-AGIUHOORSA-N 0 3 242.363 0.552 20 0 BCADHN O=C(CN1CC[C@H](N2CCCC2)C1)N1CCC1 ZINC000363193545 387696839 /nfs/dbraw/zinc/69/68/39/387696839.db2.gz XBDGESZXZCURGD-LBPRGKRZSA-N 0 3 237.347 0.389 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000377168609 387696868 /nfs/dbraw/zinc/69/68/68/387696868.db2.gz KDJUMKKDSNMTNI-JTQLQIEISA-N 0 3 241.335 0.052 20 0 BCADHN COC[C@@H](O)CN1CC2(C1)CCOCC2 ZINC000123423398 387697222 /nfs/dbraw/zinc/69/72/22/387697222.db2.gz IHZQAVHARRAUSV-JTQLQIEISA-N 0 3 215.293 0.106 20 0 BCADHN C[C@@H](O)CCN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452008174 387697785 /nfs/dbraw/zinc/69/77/85/387697785.db2.gz IDVHYOCDSBEDBN-MNOVXSKESA-N 0 3 243.351 0.493 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H](OC)C[C@@H]1C ZINC000441373438 387754847 /nfs/dbraw/zinc/75/48/47/387754847.db2.gz RXSJXOHOLSTQSG-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@]12CN(CC(N)=O)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452041627 387702565 /nfs/dbraw/zinc/70/25/65/387702565.db2.gz JYCCAZLTLPGJMK-FYLLDIAZSA-N 0 3 208.305 0.840 20 0 BCADHN CN(C)CCN(C(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC000431369543 387706226 /nfs/dbraw/zinc/70/62/26/387706226.db2.gz NLFREOJKNGTBPE-UHFFFAOYSA-N 0 3 249.314 0.953 20 0 BCADHN C[C@H](CC(N)=O)NCc1cnc2n1CCCC2 ZINC000367438706 387708772 /nfs/dbraw/zinc/70/87/72/387708772.db2.gz ORZSHZABKCQJSC-SECBINFHSA-N 0 3 236.319 0.573 20 0 BCADHN O=C(CN1CCC[C@H]1[C@@H]1CCCO1)NC1CC1 ZINC000367463893 387711727 /nfs/dbraw/zinc/71/17/27/387711727.db2.gz OWAXVPGUBBKKJQ-RYUDHWBXSA-N 0 3 238.331 0.908 20 0 BCADHN CN(C)c1ncc(CNCC2(O)CCC2)n1C ZINC000127355896 387712386 /nfs/dbraw/zinc/71/23/86/387712386.db2.gz OLFGNNXKWITEMW-UHFFFAOYSA-N 0 3 238.335 0.491 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccc(Cl)nc1 ZINC000152141968 387712794 /nfs/dbraw/zinc/71/27/94/387712794.db2.gz ORDLTCSQIZPCQQ-ZCFIWIBFSA-N 0 3 213.668 0.698 20 0 BCADHN CCO[C@@H]1C[C@@H](NC2COC2)C12CCOCC2 ZINC000377408698 387716540 /nfs/dbraw/zinc/71/65/40/387716540.db2.gz GCRLYRNWGDFXMY-VXGBXAGGSA-N 0 3 241.331 0.949 20 0 BCADHN CCO[C@H]1C[C@H](NC2COC2)C12CCOCC2 ZINC000377408697 387716929 /nfs/dbraw/zinc/71/69/29/387716929.db2.gz GCRLYRNWGDFXMY-RYUDHWBXSA-N 0 3 241.331 0.949 20 0 BCADHN CCN(CCCOC)[C@@H]1CCNC1=O ZINC000440959722 387717343 /nfs/dbraw/zinc/71/73/43/387717343.db2.gz PATLPRARKHUAHA-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN CN(CCCF)CCN1CCOCC1 ZINC000127594220 387718166 /nfs/dbraw/zinc/71/81/66/387718166.db2.gz XWWYTMOSVWTJBH-UHFFFAOYSA-N 0 3 204.289 0.610 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCCNc1ccccc1 ZINC000424142083 387718849 /nfs/dbraw/zinc/71/88/49/387718849.db2.gz DBIWJPUPDWJBPG-NWDGAFQWSA-N 0 3 233.315 0.952 20 0 BCADHN C[C@@H]1COCCN1CCN(C)CCCO ZINC000440960577 387718904 /nfs/dbraw/zinc/71/89/04/387718904.db2.gz RIYPJUIHOOBTMW-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN CCN(C[C@@H](O)CCC(C)C)[C@H]1CCNC1=O ZINC000440970278 387720524 /nfs/dbraw/zinc/72/05/24/387720524.db2.gz ZWIOGSNAYIPGCV-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CCN(C[C@@H](O)CCC(C)C)[C@@H]1CCNC1=O ZINC000440970277 387720695 /nfs/dbraw/zinc/72/06/95/387720695.db2.gz ZWIOGSNAYIPGCV-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN O=C1NCCN1CCN1CC2CCC1CC2 ZINC000377528498 387723370 /nfs/dbraw/zinc/72/33/70/387723370.db2.gz RMYPOIXGPKHWAN-UHFFFAOYSA-N 0 3 223.320 0.886 20 0 BCADHN C[C@H](F)CCN1CCNC(=O)C[C@H]1C ZINC000367554514 387727313 /nfs/dbraw/zinc/72/73/13/387727313.db2.gz UYGQRAGREAUMMC-DTWKUNHWSA-N 0 3 202.273 0.945 20 0 BCADHN COC[C@@H]1CCCN(CC(=O)N2CCC2)CC1 ZINC000452078137 387729451 /nfs/dbraw/zinc/72/94/51/387729451.db2.gz GLVKIGLLUKFOQE-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN CCN(CCO)Cc1c[nH]c(C(=O)OC)c1 ZINC000127968614 387731584 /nfs/dbraw/zinc/73/15/84/387731584.db2.gz YRRZFLSSRLMTFR-UHFFFAOYSA-N 0 3 226.276 0.616 20 0 BCADHN CC[C@@H](C)N(C)CCNC(=O)C[S@](=O)CC ZINC000431790839 387732596 /nfs/dbraw/zinc/73/25/96/387732596.db2.gz ZPYCFXMJPLADJM-QLJPJBMISA-N 0 3 248.392 0.602 20 0 BCADHN CCNC(=O)CN1CCC[C@H](COC)CC1 ZINC000452098665 387734872 /nfs/dbraw/zinc/73/48/72/387734872.db2.gz ZSJPQWBWISXLBR-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN O=C1NC[C@@H]2CN(CCc3cccnc3)CC[C@H]12 ZINC000377646989 387736598 /nfs/dbraw/zinc/73/65/98/387736598.db2.gz SHSJLHRKRBKBTQ-OLZOCXBDSA-N 0 3 245.326 0.692 20 0 BCADHN COC[C@@H](O)CN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000377672970 387736924 /nfs/dbraw/zinc/73/69/24/387736924.db2.gz RHRMOEACSDOLKU-QJPTWQEYSA-N 0 3 243.347 0.883 20 0 BCADHN C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2c[n-]nn2)C1 ZINC000128106221 387737477 /nfs/dbraw/zinc/73/74/77/387737477.db2.gz HKAKHVKRRWTEDU-SFYZADRCSA-N 0 3 223.280 0.017 20 0 BCADHN C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC000128106221 387737481 /nfs/dbraw/zinc/73/74/81/387737481.db2.gz HKAKHVKRRWTEDU-SFYZADRCSA-N 0 3 223.280 0.017 20 0 BCADHN C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000128106221 387737487 /nfs/dbraw/zinc/73/74/87/387737487.db2.gz HKAKHVKRRWTEDU-SFYZADRCSA-N 0 3 223.280 0.017 20 0 BCADHN CN(C)CCN(C(=O)c1ccnnc1)C1CC1 ZINC000356885584 387740288 /nfs/dbraw/zinc/74/02/88/387740288.db2.gz WJMQPZYLXLGUQP-UHFFFAOYSA-N 0 3 234.303 0.643 20 0 BCADHN COC[C@@H](O)CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000377672975 387741064 /nfs/dbraw/zinc/74/10/64/387741064.db2.gz RHRMOEACSDOLKU-SRVKXCTJSA-N 0 3 243.347 0.883 20 0 BCADHN COCCCn1nccc1CNCC1COC1 ZINC000527820711 387742363 /nfs/dbraw/zinc/74/23/63/387742363.db2.gz RYADXOMQAZZBDH-UHFFFAOYSA-N 0 3 239.319 0.656 20 0 BCADHN CC(=O)CCC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000367251448 387762098 /nfs/dbraw/zinc/76/20/98/387762098.db2.gz OBAFDVRLPHBXNQ-VXGBXAGGSA-N 0 3 238.331 0.908 20 0 BCADHN C[C@H](CC(N)=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000129322946 387767046 /nfs/dbraw/zinc/76/70/46/387767046.db2.gz NNHNNHSIUZAAJG-HTQZYQBOSA-N 0 3 229.324 0.143 20 0 BCADHN C[C@@H](N[C@@H](C)CC(N)=O)C(=O)NC(C)(C)C ZINC000129322736 387767147 /nfs/dbraw/zinc/76/71/47/387767147.db2.gz NNHNNHSIUZAAJG-JGVFFNPUSA-N 0 3 229.324 0.143 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000129322288 387767498 /nfs/dbraw/zinc/76/74/98/387767498.db2.gz NNHNNHSIUZAAJG-YUMQZZPRSA-N 0 3 229.324 0.143 20 0 BCADHN CCC[C@H](OC)C(=O)NCCOCCN(C)C ZINC000450445399 387768390 /nfs/dbraw/zinc/76/83/90/387768390.db2.gz ZYYFXQGOZWWQML-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN Cn1ccs/c1=N\C(=O)[C@]1(F)CCNC1 ZINC000378210205 387772311 /nfs/dbraw/zinc/77/23/11/387772311.db2.gz MBJXVKIYJBVGBE-RILYUOAZSA-N 0 3 229.280 0.216 20 0 BCADHN O=C(CN1CCC2(CC2)CC1)N1CCOCC1 ZINC000378327615 387776665 /nfs/dbraw/zinc/77/66/65/387776665.db2.gz SHUSNTDGQGERMG-UHFFFAOYSA-N 0 3 238.331 0.721 20 0 BCADHN CCN1CCC(N(C)C(=O)CN(C)C)CC1 ZINC000442644292 387812440 /nfs/dbraw/zinc/81/24/40/387812440.db2.gz BUPRPYTVFQHAIU-UHFFFAOYSA-N 0 3 227.352 0.491 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](F)C1 ZINC000452377489 387812578 /nfs/dbraw/zinc/81/25/78/387812578.db2.gz NVCXUUPIQWAHQX-VIFPVBQESA-N 0 3 202.273 0.899 20 0 BCADHN CC(C)([NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000378404153 387784553 /nfs/dbraw/zinc/78/45/53/387784553.db2.gz OKCABYOQKOJQSC-UHFFFAOYSA-N 0 3 234.303 0.403 20 0 BCADHN CC(C)(N)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000378404153 387784558 /nfs/dbraw/zinc/78/45/58/387784558.db2.gz OKCABYOQKOJQSC-UHFFFAOYSA-N 0 3 234.303 0.403 20 0 BCADHN CN1CCOc2ccc(NC(=O)[C@@H]3C[C@@H]3N)cc21 ZINC000424148619 387786350 /nfs/dbraw/zinc/78/63/50/387786350.db2.gz UPZJVJTXLGMCGR-ZJUUUORDSA-N 0 3 247.298 0.801 20 0 BCADHN CCO[C@@]1(C)C[C@H]1N[C@@H](C)CC(=O)NC ZINC000527974984 387812700 /nfs/dbraw/zinc/81/27/00/387812700.db2.gz PQGVCBYUUZLZEN-NGZCFLSTSA-N 0 3 214.309 0.668 20 0 BCADHN CC[C@@H](Cn1cncn1)NCc1cnnn1CC ZINC000527918463 387787797 /nfs/dbraw/zinc/78/77/97/387787797.db2.gz YEKZNEAUDGZEPX-JTQLQIEISA-N 0 3 249.322 0.458 20 0 BCADHN CCn1nncc1CN[C@@H](C)[C@H]1CCCO1 ZINC000527921341 387789078 /nfs/dbraw/zinc/78/90/78/387789078.db2.gz WVXHOILKWOHDTF-GXSJLCMTSA-N 0 3 224.308 0.955 20 0 BCADHN CCn1nncc1CN[C@H](C)[C@@H]1CCCO1 ZINC000527921343 387790071 /nfs/dbraw/zinc/79/00/71/387790071.db2.gz WVXHOILKWOHDTF-KOLCDFICSA-N 0 3 224.308 0.955 20 0 BCADHN CN(CCC[C@@H]1CCOC1)[C@@H]1CCNC1=O ZINC000645841308 387792128 /nfs/dbraw/zinc/79/21/28/387792128.db2.gz FXKXGVKKUABSKT-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CN(CCC[C@@H]1CCOC1)[C@H]1CCNC1=O ZINC000645841309 387792356 /nfs/dbraw/zinc/79/23/56/387792356.db2.gz FXKXGVKKUABSKT-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN COCC1(C)CN(C[C@H](O)COC(C)C)C1 ZINC000432751777 387812912 /nfs/dbraw/zinc/81/29/12/387812912.db2.gz DOTGFLXFGCQPMO-NSHDSACASA-N 0 3 231.336 0.741 20 0 BCADHN CC[C@@H](C(=O)NCCC1CC(O)C1)N(C)C ZINC000432454936 387794557 /nfs/dbraw/zinc/79/45/57/387794557.db2.gz IEALXYLJLVNNCK-ILDUYXDCSA-N 0 3 228.336 0.604 20 0 BCADHN COCCCNC(=O)NCC1(N(C)C)CCC1 ZINC000445555538 387796366 /nfs/dbraw/zinc/79/63/66/387796366.db2.gz BVFSQUQVVUUSEX-UHFFFAOYSA-N 0 3 243.351 0.806 20 0 BCADHN CCOC(=O)CCCN[C@H]1C(=O)NCC[C@H]1C ZINC000193608862 387797680 /nfs/dbraw/zinc/79/76/80/387797680.db2.gz IVIXLUDUIOBRPV-MWLCHTKSSA-N 0 3 242.319 0.444 20 0 BCADHN CCSCCN[C@@H]1C(=O)NCC[C@@H]1C ZINC000193610530 387798465 /nfs/dbraw/zinc/79/84/65/387798465.db2.gz MKOQJMSYQOILGR-IUCAKERBSA-N 0 3 216.350 0.854 20 0 BCADHN CC[C@@H]1C(=O)NCCN1CCN1CCCCC1 ZINC000151087464 387800046 /nfs/dbraw/zinc/80/00/46/387800046.db2.gz QOFPIYDNQXSEOQ-GFCCVEGCSA-N 0 3 239.363 0.683 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCCOCC(F)F ZINC000193652184 387800596 /nfs/dbraw/zinc/80/05/96/387800596.db2.gz ZDDXNQHIFSENFH-APPZFPTMSA-N 0 3 236.262 0.382 20 0 BCADHN CC(C)O[C@@]1(C)C[C@H]1N[C@H](C)CC(N)=O ZINC000527996167 387806027 /nfs/dbraw/zinc/80/60/27/387806027.db2.gz CPDFYMXDYYFMGC-KKZNHRDASA-N 0 3 214.309 0.796 20 0 BCADHN CC(C)OC(=O)CCNC(=O)[C@@H](N)C1CCC1 ZINC000422948988 387806973 /nfs/dbraw/zinc/80/69/73/387806973.db2.gz TZJDLNCDWSFHHR-NSHDSACASA-N 0 3 242.319 0.572 20 0 BCADHN C[C@H](NC[C@]1(O)CCN(C)C1)c1ccoc1 ZINC000309503242 387809036 /nfs/dbraw/zinc/80/90/36/387809036.db2.gz BKWBMWSDKICXOB-CMPLNLGQSA-N 0 3 224.304 0.997 20 0 BCADHN COC[C@@](C)(O)CN[C@@H](C)c1cnn(C)c1 ZINC000309501490 387809547 /nfs/dbraw/zinc/80/95/47/387809547.db2.gz ZVRQRDRUCUDSJC-ONGXEEELSA-N 0 3 227.308 0.468 20 0 BCADHN COC[C@](C)(O)CN[C@@H](C)c1cnn(C)c1 ZINC000309501484 387810801 /nfs/dbraw/zinc/81/08/01/387810801.db2.gz ZVRQRDRUCUDSJC-GXSJLCMTSA-N 0 3 227.308 0.468 20 0 BCADHN CC[C@@H](C)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452374893 387811505 /nfs/dbraw/zinc/81/15/05/387811505.db2.gz LIYTURHHBSRVOE-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1c[nH]cn1 ZINC000418116284 387757287 /nfs/dbraw/zinc/75/72/87/387757287.db2.gz QKXJWXZADHSRAJ-WDEREUQCSA-N 0 3 238.335 0.297 20 0 BCADHN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1cnc[nH]1 ZINC000418116284 387757289 /nfs/dbraw/zinc/75/72/89/387757289.db2.gz QKXJWXZADHSRAJ-WDEREUQCSA-N 0 3 238.335 0.297 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](F)C1 ZINC000452373024 387811772 /nfs/dbraw/zinc/81/17/72/387811772.db2.gz JUQMWUZEGARCFQ-SECBINFHSA-N 0 3 202.273 0.899 20 0 BCADHN COC(=O)C[C@]1(NC[C@@H](O)C(C)C)CCOC1 ZINC000432798244 387823364 /nfs/dbraw/zinc/82/33/64/387823364.db2.gz HYEFMGNPSWNRQM-ZYHUDNBSSA-N 0 3 245.319 0.315 20 0 BCADHN CC[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000422973692 387824180 /nfs/dbraw/zinc/82/41/80/387824180.db2.gz PKLOQILWYSHFQT-VHSXEESVSA-N 0 3 241.335 0.098 20 0 BCADHN CCN(CC)CC(=O)NCCC(C)(C)CO ZINC000452434956 387824265 /nfs/dbraw/zinc/82/42/65/387824265.db2.gz ZGSLHBCMBWPTQL-UHFFFAOYSA-N 0 3 230.352 0.853 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC000194113823 387873119 /nfs/dbraw/zinc/87/31/19/387873119.db2.gz XISPGRVSNBLBNU-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN CNC(=O)N[C@H]1CCN(C[C@@H](O)C(C)C)C1 ZINC000432805143 387825898 /nfs/dbraw/zinc/82/58/98/387825898.db2.gz LDHRPRGFVKMRKL-VHSXEESVSA-N 0 3 229.324 0.007 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@H]1C[C@@H]1C ZINC000157535041 387826151 /nfs/dbraw/zinc/82/61/51/387826151.db2.gz HUOXGKDRRZYOAT-YIZRAAEISA-N 0 3 216.350 0.839 20 0 BCADHN CCCC[C@H](N)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000442722265 387827891 /nfs/dbraw/zinc/82/78/91/387827891.db2.gz WZCKWVKGGRPNCP-DCAQKATOSA-N 0 3 227.352 0.713 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)c1nc(C)no1 ZINC000442730308 387831307 /nfs/dbraw/zinc/83/13/07/387831307.db2.gz NELOJDFHRKKIJK-BHNWBGBOSA-N 0 3 240.307 0.929 20 0 BCADHN c1cncc(-c2noc(COC3CNC3)n2)c1 ZINC000442751447 387834692 /nfs/dbraw/zinc/83/46/92/387834692.db2.gz QFKWJVVKZCNSJM-UHFFFAOYSA-N 0 3 232.243 0.620 20 0 BCADHN O=C([C@H]1CN2CCN1CCC2)N1CC[C@@H]1C1CC1 ZINC000452498028 387840782 /nfs/dbraw/zinc/84/07/82/387840782.db2.gz KRFWLEGTDRFADZ-CHWSQXEVSA-N 0 3 249.358 0.387 20 0 BCADHN COCCNCCNC(=O)[C@H]1CCC[C@@H](F)C1 ZINC000424160891 387841168 /nfs/dbraw/zinc/84/11/68/387841168.db2.gz XOKGKBCOAWQEHA-WDEREUQCSA-N 0 3 246.326 0.867 20 0 BCADHN CC(C)[C@@H](O)CN1CCCC[C@@H]1C(N)=O ZINC000432924970 387841190 /nfs/dbraw/zinc/84/11/90/387841190.db2.gz PLIYXHZILVUWSP-ZJUUUORDSA-N 0 3 214.309 0.343 20 0 BCADHN O=C(NC[C@H]1CCN(C2CC2)C1)c1cccnn1 ZINC000528118524 387842832 /nfs/dbraw/zinc/84/28/32/387842832.db2.gz ZNAGFRFHGXJRQI-SNVBAGLBSA-N 0 3 246.314 0.691 20 0 BCADHN CC(C)N1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC000442802953 387844828 /nfs/dbraw/zinc/84/48/28/387844828.db2.gz UMNGUQYJOPKNLX-LLVKDONJSA-N 0 3 227.352 0.537 20 0 BCADHN CN1CC[C@H](CNC(=O)c2cnn(C3CC3)c2)C1 ZINC000528111463 387848551 /nfs/dbraw/zinc/84/85/51/387848551.db2.gz CFRMITAWFKNUEQ-SNVBAGLBSA-N 0 3 248.330 0.900 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000424164676 387849100 /nfs/dbraw/zinc/84/91/00/387849100.db2.gz CPJXNBWZSSYSMV-JGVFFNPUSA-N 0 3 243.270 0.757 20 0 BCADHN Cc1ncc(CN[C@H]2C[NH2+]CC[C@@H]2C)c(=O)[n-]1 ZINC000423035634 387850847 /nfs/dbraw/zinc/85/08/47/387850847.db2.gz SCWCSRVFZCLXQQ-KWQFWETISA-N 0 3 236.319 0.578 20 0 BCADHN COC[C@@H]1CCCN(CC(=O)N2CCCC2)C1 ZINC000062160759 387852319 /nfs/dbraw/zinc/85/23/19/387852319.db2.gz DBZMXOLHHGUKLN-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@@H]1NCCOC(C)C ZINC000423040527 387852692 /nfs/dbraw/zinc/85/26/92/387852692.db2.gz ULPIDNORCOSGHT-QWRGUYRKSA-N 0 3 244.335 0.295 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@H](N)C(C)C ZINC000157624788 387858747 /nfs/dbraw/zinc/85/87/47/387858747.db2.gz ZWIXNWIRAPJYFV-DTWKUNHWSA-N 0 3 202.298 0.247 20 0 BCADHN Cc1cnccc1CCNC1(C(N)=O)CC1 ZINC000645847937 387859078 /nfs/dbraw/zinc/85/90/78/387859078.db2.gz UIEHAAPNXLNCFA-UHFFFAOYSA-N 0 3 219.288 0.540 20 0 BCADHN CC(C)[C@H](O)C(C)(C)CNC(=O)[C@@H]1C[C@@H]1N ZINC000424168942 387859185 /nfs/dbraw/zinc/85/91/85/387859185.db2.gz HAWQYUITJVIZMW-UTLUCORTSA-N 0 3 228.336 0.493 20 0 BCADHN CC(C)N(C)CC(=O)N(C1CC1)C1COC1 ZINC000452588120 387865418 /nfs/dbraw/zinc/86/54/18/387865418.db2.gz GCBBEXGFPZBTDA-UHFFFAOYSA-N 0 3 226.320 0.716 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@@H](N)CC(C)C ZINC000157745963 387869432 /nfs/dbraw/zinc/86/94/32/387869432.db2.gz NZJBVOGCYDILKU-ZJUUUORDSA-N 0 3 216.325 0.637 20 0 BCADHN C[C@@H]1COCC[C@H]1NCC(=O)Nc1ccncc1 ZINC000433134132 387869729 /nfs/dbraw/zinc/86/97/29/387869729.db2.gz JUXLAROMIADIGO-ZYHUDNBSSA-N 0 3 249.314 0.457 20 0 BCADHN CCN(CC(=O)NCCCOC)C(C)C ZINC000194091260 387869866 /nfs/dbraw/zinc/86/98/66/387869866.db2.gz AHYSNTYAKIRJBS-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN O=C(NC[C@@H]1CCC[NH2+]1)c1ccccc1[O-] ZINC000053253826 387815039 /nfs/dbraw/zinc/81/50/39/387815039.db2.gz IHOPBMPCOPTDQN-VIFPVBQESA-N 0 3 220.272 0.874 20 0 BCADHN NC(=O)N[C@@H]1CCN(CCC2CCOCC2)C1 ZINC000432775491 387815263 /nfs/dbraw/zinc/81/52/63/387815263.db2.gz UWVTUXHHVQTESE-LLVKDONJSA-N 0 3 241.335 0.546 20 0 BCADHN CC[C@H](C)CNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000422966866 387816141 /nfs/dbraw/zinc/81/61/41/387816141.db2.gz ATYRGYLNEBOGGN-WCBMZHEXSA-N 0 3 241.335 0.002 20 0 BCADHN COC[C@@H](CCO)NCc1nc(C)ccc1O ZINC000219127186 387891572 /nfs/dbraw/zinc/89/15/72/387891572.db2.gz ZSPFKHSFSDHRLO-SNVBAGLBSA-N 0 3 240.303 0.583 20 0 BCADHN C[C@@H](O)C(=O)NCCN1CCCC(C)(C)C1 ZINC000444613294 387892710 /nfs/dbraw/zinc/89/27/10/387892710.db2.gz WVBKDKIOKMUFLH-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000452714308 387893112 /nfs/dbraw/zinc/89/31/12/387893112.db2.gz NJMQVKSWVNQXPI-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H](O)C(=O)NCCN1CCCC(C)(C)C1 ZINC000444614293 387894334 /nfs/dbraw/zinc/89/43/34/387894334.db2.gz WVBKDKIOKMUFLH-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CCOCC[C@@H](O)CN(C)[C@@H]1CCOC1 ZINC000444624823 387894376 /nfs/dbraw/zinc/89/43/76/387894376.db2.gz GDQZYJWCSFPZQN-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)C1CCOCC1 ZINC000161930515 387894858 /nfs/dbraw/zinc/89/48/58/387894858.db2.gz GBZZIBOHTVKSQE-SCZZXKLOSA-N 0 3 214.309 0.655 20 0 BCADHN COC1CCN(C[C@H](O)CC2(O)CCC2)CC1 ZINC000528336874 387895883 /nfs/dbraw/zinc/89/58/83/387895883.db2.gz IVSCPSGADCJIKY-LLVKDONJSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@@H](CNC(=O)CO)N1CCCC[C@@H]1C ZINC000448696133 387879759 /nfs/dbraw/zinc/87/97/59/387879759.db2.gz DZEVEBOYTNZSSP-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@H](CNC(=O)CO)N1CCCC[C@@H]1C ZINC000448696134 387880110 /nfs/dbraw/zinc/88/01/10/387880110.db2.gz DZEVEBOYTNZSSP-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN CCC[C@H]1CN(C(=O)[C@@H](C)N)CCO1 ZINC000158057137 387888819 /nfs/dbraw/zinc/88/88/19/387888819.db2.gz ANONQPAIBMWHRX-BDAKNGLRSA-N 0 3 200.282 0.361 20 0 BCADHN CC(C)[C@@H]1CCCN(CCNS(C)(=O)=O)C1 ZINC000444750336 387918762 /nfs/dbraw/zinc/91/87/62/387918762.db2.gz BDHJLJSYWBPHAU-LLVKDONJSA-N 0 3 248.392 0.904 20 0 BCADHN C[C@@H](O)CN1CCN(CCC(C)(C)O)CC1 ZINC000444646454 387899298 /nfs/dbraw/zinc/89/92/98/387899298.db2.gz BFUBVULMVMGNNB-LLVKDONJSA-N 0 3 230.352 0.146 20 0 BCADHN COCC[C@H]1CCCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424185657 387902983 /nfs/dbraw/zinc/90/29/83/387902983.db2.gz GCTMNRFCAZYZAZ-UTUOFQBUSA-N 0 3 240.347 0.999 20 0 BCADHN Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)[nH]n1 ZINC000195336037 387919322 /nfs/dbraw/zinc/91/93/22/387919322.db2.gz AZOLLTOSUNMLOD-SNVBAGLBSA-N 0 3 234.303 0.638 20 0 BCADHN Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)n[nH]1 ZINC000195336037 387919326 /nfs/dbraw/zinc/91/93/26/387919326.db2.gz AZOLLTOSUNMLOD-SNVBAGLBSA-N 0 3 234.303 0.638 20 0 BCADHN Cc1nnc([C@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2N)[nH]1 ZINC000424187033 387903877 /nfs/dbraw/zinc/90/38/77/387903877.db2.gz UMAVRKVIEQSZQS-KXUCPTDWSA-N 0 3 249.318 0.514 20 0 BCADHN C[C@H](N)C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000161939523 387904451 /nfs/dbraw/zinc/90/44/51/387904451.db2.gz DDAYPEDCOXXXAB-QXEWZRGKSA-N 0 3 214.309 0.391 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000423128196 387904762 /nfs/dbraw/zinc/90/47/62/387904762.db2.gz KQGMIUPMINNYRC-BBBLOLIVSA-N 0 3 242.319 0.300 20 0 BCADHN CCOCC[C@H](O)CN[C@H](C(=O)NC)C(C)C ZINC000444678977 387905889 /nfs/dbraw/zinc/90/58/89/387905889.db2.gz YTBCJAKEQCJTQQ-QWRGUYRKSA-N 0 3 246.351 0.134 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000236834594 387907450 /nfs/dbraw/zinc/90/74/50/387907450.db2.gz JVEMUMKLHWKTOK-MNOVXSKESA-N 0 3 241.335 0.241 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCN(C2CC2)CC1 ZINC000645786676 387910232 /nfs/dbraw/zinc/91/02/32/387910232.db2.gz RNEIIAICJFXXRW-NSHDSACASA-N 0 3 237.347 0.291 20 0 BCADHN CCN1C[C@H](C)[C@H](N[C@H](C)c2ncn(C)n2)C1 ZINC000437032680 387910933 /nfs/dbraw/zinc/91/09/33/387910933.db2.gz PTNGXTVWYPVARU-HBNTYKKESA-N 0 3 237.351 0.806 20 0 BCADHN COC1(C(=O)N(C)C2CCN(C)CC2)CC1 ZINC000648712759 387911428 /nfs/dbraw/zinc/91/14/28/387911428.db2.gz PTTPHXYTBSUJQR-UHFFFAOYSA-N 0 3 226.320 0.718 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000236916404 387912567 /nfs/dbraw/zinc/91/25/67/387912567.db2.gz HNBCFOPDFLTLDR-LSJOCFKGSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1nc(C2CC2)no1 ZINC000645787329 387912827 /nfs/dbraw/zinc/91/28/27/387912827.db2.gz IGUYQBSLTLSDSE-VIFPVBQESA-N 0 3 238.291 0.547 20 0 BCADHN CCc1cnccc1CNC[C@H](O)COC ZINC000514669059 387912794 /nfs/dbraw/zinc/91/27/94/387912794.db2.gz WNXOOQMAFWZNMJ-LBPRGKRZSA-N 0 3 224.304 0.741 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000236933965 387913992 /nfs/dbraw/zinc/91/39/92/387913992.db2.gz LKZLSWGOZODOLU-LMLFDSFASA-N 0 3 226.320 0.798 20 0 BCADHN CC(C)CN(C(=O)C(=O)N(C)CCN)C(C)C ZINC000423136920 387914097 /nfs/dbraw/zinc/91/40/97/387914097.db2.gz PZLOKZUXIZQEEJ-UHFFFAOYSA-N 0 3 243.351 0.297 20 0 BCADHN O[C@@H]1CN(CCCc2ccsc2)C[C@@H]1O ZINC000444696835 387914200 /nfs/dbraw/zinc/91/42/00/387914200.db2.gz JFMFZEGZRAMWTR-PHIMTYICSA-N 0 3 227.329 0.718 20 0 BCADHN O=S1(=O)CCCC[C@@H]1CN[C@H]1CCCOC1 ZINC000328623557 387914212 /nfs/dbraw/zinc/91/42/12/387914212.db2.gz YZKBYQJVAIKBKD-WDEREUQCSA-N 0 3 247.360 0.722 20 0 BCADHN COCCO[C@@H]1CCN(C[C@@H](O)CSC)C1 ZINC000444749978 387919734 /nfs/dbraw/zinc/91/97/34/387919734.db2.gz WOGOJUQQBHPDGR-GHMZBOCLSA-N 0 3 249.376 0.448 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@H](C)[C@@H](C)OC ZINC000423141603 387917394 /nfs/dbraw/zinc/91/73/94/387917394.db2.gz QUYAUZYIEHRYEF-GWOFURMSSA-N 0 3 244.335 0.293 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@H]1CC12CC2 ZINC000424222371 387937219 /nfs/dbraw/zinc/93/72/19/387937219.db2.gz MITRWZXPQYCZOW-SFYZADRCSA-N 0 3 214.334 0.736 20 0 BCADHN CC(C)OC[C@H](C)N[C@@H]1CCC(=O)N(C)C1=O ZINC000424212794 387930906 /nfs/dbraw/zinc/93/09/06/387930906.db2.gz SLFAKUIIPBYQLG-VHSXEESVSA-N 0 3 242.319 0.537 20 0 BCADHN NCC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000237980915 387931179 /nfs/dbraw/zinc/93/11/79/387931179.db2.gz ZSAGDOQZEZHESB-NXEZZACHSA-N 0 3 222.292 0.442 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@@](C)(N)CCC ZINC000158164179 387934282 /nfs/dbraw/zinc/93/42/82/387934282.db2.gz KFBHPIJUSPSADY-KOLCDFICSA-N 0 3 216.325 0.781 20 0 BCADHN COC[C@@H](C)CN1CCN2C(=O)CC[C@H]2C1 ZINC000527108108 387934551 /nfs/dbraw/zinc/93/45/51/387934551.db2.gz NJSYFHFWUHBHIW-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN NC1(C(=O)N2CCC[C@H](n3ccnn3)C2)CCC1 ZINC000424218711 387934636 /nfs/dbraw/zinc/93/46/36/387934636.db2.gz WJSXATWVEJOKIS-JTQLQIEISA-N 0 3 249.318 0.323 20 0 BCADHN COCCNCC(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000424217055 387935263 /nfs/dbraw/zinc/93/52/63/387935263.db2.gz KIDYZLSKEAEJQA-WDEREUQCSA-N 0 3 226.320 0.527 20 0 BCADHN OC[C@H]1C[C@@H](O)CN1CCOCC1CCCC1 ZINC000459392136 387937471 /nfs/dbraw/zinc/93/74/71/387937471.db2.gz PDGBRDAFJLLRPF-CHWSQXEVSA-N 0 3 243.347 0.621 20 0 BCADHN OC[C@H]1C[C@H](O)CN1CCOCC1CCCC1 ZINC000459392137 387936271 /nfs/dbraw/zinc/93/62/71/387936271.db2.gz PDGBRDAFJLLRPF-OLZOCXBDSA-N 0 3 243.347 0.621 20 0 BCADHN CCN(CC1CC1)C(=O)[C@@]1(F)CCNC1 ZINC000158189878 387936796 /nfs/dbraw/zinc/93/67/96/387936796.db2.gz HVFVFHVOIHZIJP-LLVKDONJSA-N 0 3 214.284 0.947 20 0 BCADHN CCOC[C@@H](O)CN1CC[C@@H](OCCOC)C1 ZINC000444750535 387920259 /nfs/dbraw/zinc/92/02/59/387920259.db2.gz FIKPOBVCBGZJTB-NWDGAFQWSA-N 0 3 247.335 0.121 20 0 BCADHN C[C@@H](CC1CC1)NC(=O)[C@]1(F)CCNC1 ZINC000158178918 387936971 /nfs/dbraw/zinc/93/69/71/387936971.db2.gz JFFFETALXPZNGP-KWQFWETISA-N 0 3 214.284 0.993 20 0 BCADHN CCOCCN(CC)CCCS(N)(=O)=O ZINC000156143463 387922344 /nfs/dbraw/zinc/92/23/44/387922344.db2.gz WZRJPECUTQMWSX-UHFFFAOYSA-N 0 3 238.353 0.023 20 0 BCADHN CC[C@@H]1CCCN(C(=O)C(=O)N(C)CCN)C1 ZINC000423145992 387922867 /nfs/dbraw/zinc/92/28/67/387922867.db2.gz NKBXIHYBBRURQA-SNVBAGLBSA-N 0 3 241.335 0.052 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)C1(N)CCCCC1 ZINC000237200722 387924109 /nfs/dbraw/zinc/92/41/09/387924109.db2.gz OADWMOIBWQLZGT-SECBINFHSA-N 0 3 242.319 0.716 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@@]1(C)CCCCN1 ZINC000237214713 387925370 /nfs/dbraw/zinc/92/53/70/387925370.db2.gz DZYHNYRRNJZSJU-JOYOIKCWSA-N 0 3 242.319 0.586 20 0 BCADHN CNCC(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000237206961 387925779 /nfs/dbraw/zinc/92/57/79/387925779.db2.gz ISUCCQAHBIDVBK-LBPRGKRZSA-N 0 3 233.315 0.919 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1CCOCC1CCCC1 ZINC000459392140 387937095 /nfs/dbraw/zinc/93/70/95/387937095.db2.gz PDGBRDAFJLLRPF-QWHCGFSZSA-N 0 3 243.347 0.621 20 0 BCADHN NCC(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000237969949 387928274 /nfs/dbraw/zinc/92/82/74/387928274.db2.gz PKFCREQBXKHEEA-UHFFFAOYSA-N 0 3 244.298 0.490 20 0 BCADHN CN(CCC[C@H]1CCOC1)[C@H]1CCN(C)C1=O ZINC000645807237 387951943 /nfs/dbraw/zinc/95/19/43/387951943.db2.gz ONDAYCZPEUYYGG-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H]1CC12CC2 ZINC000424222373 387938301 /nfs/dbraw/zinc/93/83/01/387938301.db2.gz MITRWZXPQYCZOW-YUMQZZPRSA-N 0 3 214.334 0.736 20 0 BCADHN O=C(CCOC1CNC1)N[C@H]1CC12CC2 ZINC000424224199 387939020 /nfs/dbraw/zinc/93/90/20/387939020.db2.gz RNLHIWCWOIIRNL-VIFPVBQESA-N 0 3 210.277 0.034 20 0 BCADHN CO[C@H](CN)C(=O)NCCc1ccccc1F ZINC000227343450 387956155 /nfs/dbraw/zinc/95/61/55/387956155.db2.gz RUNLVOCEORZEAC-LLVKDONJSA-N 0 3 240.278 0.458 20 0 BCADHN CC[C@H]1[C@@H](CO)CCN1C(=O)CN(CC)CC ZINC000452938390 387941522 /nfs/dbraw/zinc/94/15/22/387941522.db2.gz FLVYSRLQCJCRBM-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@](C)(CN[C@H](C)CS(C)(=O)=O)OC ZINC000322620967 387941841 /nfs/dbraw/zinc/94/18/41/387941841.db2.gz NOROVEXZZGORSX-NXEZZACHSA-N 0 3 237.365 0.824 20 0 BCADHN CC[C@@H](C(=O)N(CCO)CCCOC)N(C)C ZINC000438526339 387942069 /nfs/dbraw/zinc/94/20/69/387942069.db2.gz IMHIMVCJBJHAGV-NSHDSACASA-N 0 3 246.351 0.184 20 0 BCADHN CN(C)[C@H](CNC(=O)CO)Cc1ccccc1 ZINC000448605003 387942988 /nfs/dbraw/zinc/94/29/88/387942988.db2.gz KEPVLLQNTOIDQB-LBPRGKRZSA-N 0 3 236.315 0.268 20 0 BCADHN CCN(CC)C(=O)CN[C@H](COC)C1CC1 ZINC000158267085 387943759 /nfs/dbraw/zinc/94/37/59/387943759.db2.gz KSGMFHMNNKFPQZ-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1n[nH]cc1CN(C)CC1(O)CCOCC1 ZINC000438544071 387943724 /nfs/dbraw/zinc/94/37/24/387943724.db2.gz DJQFSARSOIWFMK-UHFFFAOYSA-N 0 3 239.319 0.691 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CC(=O)N(CC)C1)N(C)C ZINC000452958371 387944741 /nfs/dbraw/zinc/94/47/41/387944741.db2.gz QPTZOEURPXBDAB-NXEZZACHSA-N 0 3 241.335 0.064 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)C(=O)N(C)[C@H](C)CN ZINC000418925720 387947543 /nfs/dbraw/zinc/94/75/43/387947543.db2.gz RKRMCBHFDYVTFD-AEJSXWLSSA-N 0 3 243.351 0.343 20 0 BCADHN CC[C@@H](C)[C@H](C)NC(=O)C(=O)N[C@@H](C)CN ZINC000418923373 387948384 /nfs/dbraw/zinc/94/83/84/387948384.db2.gz MBNVBOOGLTWJTM-VGMNWLOBSA-N 0 3 229.324 0.001 20 0 BCADHN COC(=O)CC1CC(NCc2nccn2C)C1 ZINC000424270748 387948659 /nfs/dbraw/zinc/94/86/59/387948659.db2.gz NZZAPYUJVQANBY-UHFFFAOYSA-N 0 3 237.303 0.851 20 0 BCADHN CNCC(=O)NC1CCN(CC(F)F)CC1 ZINC000645805914 387949054 /nfs/dbraw/zinc/94/90/54/387949054.db2.gz VWLZJEHBKZSDRP-UHFFFAOYSA-N 0 3 235.278 0.052 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC[C@@H](CC(N)=O)C1 ZINC000245482389 387950008 /nfs/dbraw/zinc/95/00/08/387950008.db2.gz ZGSVVFHDHIHJRS-ZJUUUORDSA-N 0 3 241.335 0.051 20 0 BCADHN CCCOCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452981866 387951315 /nfs/dbraw/zinc/95/13/15/387951315.db2.gz AZAGCLHIVUMECP-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN O[C@H](CN1CC[C@H]1C1CC1)CN1CCOCC1 ZINC000453006597 387958169 /nfs/dbraw/zinc/95/81/69/387958169.db2.gz CHDINQOORAWVPH-STQMWFEESA-N 0 3 240.347 0.164 20 0 BCADHN NC(=O)[C@H]1CN(C[C@H]2CC=CCC2)CCO1 ZINC000245559252 387959819 /nfs/dbraw/zinc/95/98/19/387959819.db2.gz LPIGNNUPIBPDPY-WDEREUQCSA-N 0 3 224.304 0.529 20 0 BCADHN CC[C@@](C)(CNCC(=O)NCC1CC1)OC ZINC000322672921 387964344 /nfs/dbraw/zinc/96/43/44/387964344.db2.gz GGNBMPYQRRUCNN-LBPRGKRZSA-N 0 3 228.336 0.917 20 0 BCADHN CC(C)N1CCC[C@H](N(C)[C@H](C)CO)C1=O ZINC000245600186 387965925 /nfs/dbraw/zinc/96/59/25/387965925.db2.gz IRFUWHSGOWBRHS-MNOVXSKESA-N 0 3 228.336 0.698 20 0 BCADHN CCCCOCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453032077 387966922 /nfs/dbraw/zinc/96/69/22/387966922.db2.gz IPXNHAQGVAWYNY-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CCCN(CC[C@@H](C)O)CC(=O)NC ZINC000438981311 387970289 /nfs/dbraw/zinc/97/02/89/387970289.db2.gz WSIVGLPVRYGZNW-SECBINFHSA-N 0 3 202.298 0.215 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)[C@H](C)c1ccncc1 ZINC000227368661 387956900 /nfs/dbraw/zinc/95/69/00/387956900.db2.gz GKHORZYFYPOIJV-KOLCDFICSA-N 0 3 237.303 0.575 20 0 BCADHN CC(C)[C@@H](CO)NCc1cc(=O)c(O)co1 ZINC000156314789 387957179 /nfs/dbraw/zinc/95/71/79/387957179.db2.gz OFSWRXPHTQQQBQ-SECBINFHSA-N 0 3 227.260 0.452 20 0 BCADHN COC[C@@H](C)NC(=O)NCC1(N(C)C)CCC1 ZINC000445851673 387974130 /nfs/dbraw/zinc/97/41/30/387974130.db2.gz ILFDEZWLIKWNEB-SNVBAGLBSA-N 0 3 243.351 0.805 20 0 BCADHN CCCNC(=O)CN(CCO)[C@H]1CC[C@H](C)C1 ZINC000438996953 387974220 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/nfs/dbraw/zinc/13/03/81/135130381.db2.gz VBEDXQQPAXREMY-UHFFFAOYSA-N 0 3 241.257 0.206 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)n(C)n1 ZINC000368194918 177789908 /nfs/dbraw/zinc/78/99/08/177789908.db2.gz SVWGUTFMSJSRQA-IUCAKERBSA-N 0 3 240.282 0.158 20 0 BCADHN CC(=O)Nc1cccc(CNC(=O)CN)c1 ZINC000082276504 388020288 /nfs/dbraw/zinc/02/02/88/388020288.db2.gz FXVIGQWLGZYGAM-UHFFFAOYSA-N 0 3 221.260 0.220 20 0 BCADHN CC[C@H]1CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000246243842 388022152 /nfs/dbraw/zinc/02/21/52/388022152.db2.gz ONWLOOMHNKSTTL-SFYZADRCSA-N 0 3 213.281 0.302 20 0 BCADHN CN(C)CCNC(=O)c1cnc2nccnc2c1 ZINC000082303131 388026139 /nfs/dbraw/zinc/02/61/39/388026139.db2.gz GNDQDAAEAZRHEP-UHFFFAOYSA-N 0 3 245.286 0.316 20 0 BCADHN CCC[C@@](C)(O)C(=O)NCCN1CC[C@H](C)C1 ZINC000533215639 388023426 /nfs/dbraw/zinc/02/34/26/388023426.db2.gz HGMYOZQZZLNNDE-WCQYABFASA-N 0 3 242.363 0.996 20 0 BCADHN CCN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000082484252 388035200 /nfs/dbraw/zinc/03/52/00/388035200.db2.gz IHNFWNMSQOSDBB-JTQLQIEISA-N 0 3 200.326 0.783 20 0 BCADHN C[C@H](N[C@H]1CCC(=O)NC1)c1cnn(C)c1 ZINC000082515238 388035661 /nfs/dbraw/zinc/03/56/61/388035661.db2.gz RDUPCMBUKLIHPN-WPRPVWTQSA-N 0 3 222.292 0.349 20 0 BCADHN C[C@H](N[C@@H]1CCC(=O)NC1)c1cnn(C)c1 ZINC000082515236 388036003 /nfs/dbraw/zinc/03/60/03/388036003.db2.gz RDUPCMBUKLIHPN-WCBMZHEXSA-N 0 3 222.292 0.349 20 0 BCADHN Cc1cc(C(=O)NC[C@@H](C)[NH+](C)C)[n-]c(=O)n1 ZINC000268623367 177786439 /nfs/dbraw/zinc/78/64/39/177786439.db2.gz DERNBNNSLDXPSZ-MRVPVSSYSA-N 0 3 238.291 0.171 20 0 BCADHN CN(C)CCSCCCN1C(=O)CNC1=O ZINC000446565961 388027437 /nfs/dbraw/zinc/02/74/37/388027437.db2.gz QXQQTDXTQFGQGC-UHFFFAOYSA-N 0 3 245.348 0.223 20 0 BCADHN CC1(C)CC(N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000258789959 135133701 /nfs/dbraw/zinc/13/37/01/135133701.db2.gz GOZRWEDEWQPWJL-MRVPVSSYSA-N 0 3 217.334 0.952 20 0 BCADHN CN(C(=O)[C@H]1CCCN1C)[C@H]1CC[C@H](O)CC1 ZINC000440031505 388029346 /nfs/dbraw/zinc/02/93/46/388029346.db2.gz VYAHCSHDRRKLBC-IJLUTSLNSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@H](CCO)NC(=O)NCC1(N(C)C)CCC1 ZINC000446618575 388029466 /nfs/dbraw/zinc/02/94/66/388029466.db2.gz WWLLBXUYKOBOJJ-SNVBAGLBSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H](O)CCNC(=O)NCC1(N(C)C)CCC1 ZINC000446623948 388029831 /nfs/dbraw/zinc/02/98/31/388029831.db2.gz MLJYJIOLTXPGRG-JTQLQIEISA-N 0 3 243.351 0.541 20 0 BCADHN CCN(CCO)C(=O)NCC1(N(C)C)CCC1 ZINC000446611949 388030138 /nfs/dbraw/zinc/03/01/38/388030138.db2.gz AWARKWUSGQIUMQ-UHFFFAOYSA-N 0 3 243.351 0.495 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2nccnc2N)C1 ZINC000108462086 388030373 /nfs/dbraw/zinc/03/03/73/388030373.db2.gz HBUZTWGSKWREGX-VIFPVBQESA-N 0 3 249.318 0.130 20 0 BCADHN CCC(O)(CC)CN[C@H]1CCCS(=O)(=O)C1 ZINC000083463855 388052451 /nfs/dbraw/zinc/05/24/51/388052451.db2.gz DFYAYSZHQTZCJT-JTQLQIEISA-N 0 3 249.376 0.704 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H](C)[C@@H]1CCCO1 ZINC000453349012 388055254 /nfs/dbraw/zinc/05/52/54/388055254.db2.gz IYYQLMCADJMCAC-WHOHXGKFSA-N 0 3 229.320 0.947 20 0 BCADHN CNCC(=O)N1CC[C@H](OCc2ccncc2)C1 ZINC000440579443 388055346 /nfs/dbraw/zinc/05/53/46/388055346.db2.gz UJPNCJRFBNPNLY-LBPRGKRZSA-N 0 3 249.314 0.419 20 0 BCADHN CC[C@@H](C)C[C@H](C)NC(=O)C(=O)NCCN ZINC000083863401 388063625 /nfs/dbraw/zinc/06/36/25/388063625.db2.gz WKKCTYHEQKDJQS-BDAKNGLRSA-N 0 3 229.324 0.002 20 0 BCADHN C[C@H](N)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000083911579 388066369 /nfs/dbraw/zinc/06/63/69/388066369.db2.gz FZSPWLIAUPGQKQ-VIFPVBQESA-N 0 3 236.319 0.473 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000084091187 388072470 /nfs/dbraw/zinc/07/24/70/388072470.db2.gz NLDJPFDAHFGVLR-NXEZZACHSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@@H]1CCC=CO1 ZINC000195007157 388082272 /nfs/dbraw/zinc/08/22/72/388082272.db2.gz YNLINRZPXADXCU-OUAUKWLOSA-N 0 3 224.304 0.793 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)NCCCCO ZINC000195013770 388083134 /nfs/dbraw/zinc/08/31/34/388083134.db2.gz RRLLVARGVGQFET-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000453455883 388083603 /nfs/dbraw/zinc/08/36/03/388083603.db2.gz UPWHQPBEEFUOBM-BJDJZHNGSA-N 0 3 238.331 0.907 20 0 BCADHN CC[C@H]1CCC[C@@H](NC(=O)C(=O)NCCN)C1 ZINC000085068750 388083934 /nfs/dbraw/zinc/08/39/34/388083934.db2.gz ZNCCWWDWCGAPAQ-VHSXEESVSA-N 0 3 241.335 0.146 20 0 BCADHN CCCN(C)CC(=O)N(C)CCCCCO ZINC000447647336 388085691 /nfs/dbraw/zinc/08/56/91/388085691.db2.gz ZNEOHFIPWXOTNH-UHFFFAOYSA-N 0 3 230.352 0.949 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@@H](O)[C@@H]1C ZINC000645925350 388086226 /nfs/dbraw/zinc/08/62/26/388086226.db2.gz LMGWTQITJLZHIS-VHSXEESVSA-N 0 3 229.324 0.149 20 0 BCADHN C[C@H](CC(=O)NCCN(C)C)n1cccn1 ZINC000424525072 388086690 /nfs/dbraw/zinc/08/66/90/388086690.db2.gz LYLLWZFATBHJQI-SNVBAGLBSA-N 0 3 224.308 0.512 20 0 BCADHN C[C@H]1C[C@@H]1CN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000453590315 388087243 /nfs/dbraw/zinc/08/72/43/388087243.db2.gz XZSGJPGYEBAMEM-VLEAKVRGSA-N 0 3 224.304 0.232 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H]1CCCC(=O)N1 ZINC000447742555 388090039 /nfs/dbraw/zinc/09/00/39/388090039.db2.gz DDXMRRSMBHRUGJ-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN C[C@H]1CSCCN([C@@H]2COC[C@H]2O)C1 ZINC000463216601 388090033 /nfs/dbraw/zinc/09/00/33/388090033.db2.gz ZNKREIVOTPQVKS-OPRDCNLKSA-N 0 3 217.334 0.431 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000085541518 388090429 /nfs/dbraw/zinc/09/04/29/388090429.db2.gz JFPQOYCVNIXRTG-AXFHLTTASA-N 0 3 226.320 0.750 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H]1CCCC(=O)N1)N(C)C ZINC000447752481 388091774 /nfs/dbraw/zinc/09/17/74/388091774.db2.gz GUJJAXUJHQRKJC-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@H](NC(=O)C[C@@H]1CNCCO1)C(C)C ZINC000085619850 388093081 /nfs/dbraw/zinc/09/30/81/388093081.db2.gz GZMRFRKRPFAQGS-MNOVXSKESA-N 0 3 228.336 0.916 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N1CCCSCC1 ZINC000085619809 388093098 /nfs/dbraw/zinc/09/30/98/388093098.db2.gz RLRUCAOFTNYTBO-SNVBAGLBSA-N 0 3 244.360 0.330 20 0 BCADHN CC1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000085618611 388093348 /nfs/dbraw/zinc/09/33/48/388093348.db2.gz XGAUJQFSUYSWAK-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN CNC(=O)CCN1CCO[C@@H](C(C)(C)C)C1 ZINC000447830492 388094942 /nfs/dbraw/zinc/09/49/42/388094942.db2.gz VIDVHMPYWRPQNK-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@@](C)(CN[C@@H]1CCCS(=O)(=O)C1)OC ZINC000322912375 388097059 /nfs/dbraw/zinc/09/70/59/388097059.db2.gz IYFDXIHZGVUSNB-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN C[C@H]1CN(C(=O)C[C@@H]2CNCCO2)C[C@H]1C ZINC000086014135 388098856 /nfs/dbraw/zinc/09/88/56/388098856.db2.gz BSSOBWPTVBSBNS-OUAUKWLOSA-N 0 3 226.320 0.479 20 0 BCADHN CCC(CC)[C@H](O)CNC(=O)[C@H]1NCC1(C)C ZINC000645968368 388099508 /nfs/dbraw/zinc/09/95/08/388099508.db2.gz BHZBUGYIFLIHMP-GHMZBOCLSA-N 0 3 242.363 0.898 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1ncc[nH]1 ZINC000645969459 388100343 /nfs/dbraw/zinc/10/03/43/388100343.db2.gz PNOKHPLZWPFVPU-MRVPVSSYSA-N 0 3 208.265 0.024 20 0 BCADHN CC(C)OC(=O)CCN[C@H](CO)[C@H]1CCCO1 ZINC000447900124 388100877 /nfs/dbraw/zinc/10/08/77/388100877.db2.gz AAEXSHRZCLUESF-GHMZBOCLSA-N 0 3 245.319 0.458 20 0 BCADHN Cn1nncc1CNC1(CCO)CCCC1 ZINC000336661295 388101330 /nfs/dbraw/zinc/10/13/30/388101330.db2.gz BRVVNRIQUUGHBZ-UHFFFAOYSA-N 0 3 224.308 0.600 20 0 BCADHN C[C@@H]1CCCN(CCNS(C)(=O)=O)[C@H]1C ZINC000246611093 388101414 /nfs/dbraw/zinc/10/14/14/388101414.db2.gz GRSXTPSIBOWBRS-ZJUUUORDSA-N 0 3 234.365 0.656 20 0 BCADHN CN(C)CCNC(=O)COCC1CCCC1 ZINC000454174612 388103086 /nfs/dbraw/zinc/10/30/86/388103086.db2.gz FJXGMJZOMGSNCY-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@H](CO)[C@H]1CCCO1 ZINC000447917078 388103279 /nfs/dbraw/zinc/10/32/79/388103279.db2.gz WRFPTPFRURBTFC-HBNTYKKESA-N 0 3 244.335 0.031 20 0 BCADHN CCCCOC[C@H](O)CN[C@@](C)(CC)C(N)=O ZINC000195191645 388116184 /nfs/dbraw/zinc/11/61/84/388116184.db2.gz AYQAUVKHBJLTMG-PWSUYJOCSA-N 0 3 246.351 0.408 20 0 BCADHN CC[C@H](O)CC(=O)NCCN(C)C1CC1 ZINC000448793449 388111797 /nfs/dbraw/zinc/11/17/97/388111797.db2.gz GMZJWLPBIYZNSX-JTQLQIEISA-N 0 3 214.309 0.358 20 0 BCADHN C[C@H](C(=O)N1CC[C@H](N(C)C)C1)n1cncn1 ZINC000170859874 388112084 /nfs/dbraw/zinc/11/20/84/388112084.db2.gz WQKHGWLSXGYZHR-ZJUUUORDSA-N 0 3 237.307 0.002 20 0 BCADHN C[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)n1cncn1 ZINC000170859877 388112595 /nfs/dbraw/zinc/11/25/95/388112595.db2.gz WQKHGWLSXGYZHR-VHSXEESVSA-N 0 3 237.307 0.002 20 0 BCADHN CC(C)OC(=O)[C@H](C)CNC(=O)[C@H](N)C(C)C ZINC000119393449 388112857 /nfs/dbraw/zinc/11/28/57/388112857.db2.gz XBUWIDJGMCBFPE-NXEZZACHSA-N 0 3 244.335 0.674 20 0 BCADHN COCC1CCN(C(=O)[C@H]2NCC2(C)C)CC1 ZINC000645977742 388113034 /nfs/dbraw/zinc/11/30/34/388113034.db2.gz KFAIVDTWDWSMRO-LLVKDONJSA-N 0 3 240.347 0.869 20 0 BCADHN CCOC[C@H](O)CNCc1c(C)noc1C ZINC000083142150 388046356 /nfs/dbraw/zinc/04/63/56/388046356.db2.gz HJLLQNSUMSFHPC-SNVBAGLBSA-N 0 3 228.292 0.778 20 0 BCADHN COC(=O)CC1(CN2C[C@@H](O)C[C@H]2C)CC1 ZINC000440509666 388048017 /nfs/dbraw/zinc/04/80/17/388048017.db2.gz GDJPYMKSPIEORY-ZJUUUORDSA-N 0 3 227.304 0.785 20 0 BCADHN COC[C@H]1CCCN1C(=O)CCOC1CNC1 ZINC000646157102 388157851 /nfs/dbraw/zinc/15/78/51/388157851.db2.gz GEWKFXUBTJJKEB-SNVBAGLBSA-N 0 3 242.319 0.002 20 0 BCADHN C[C@@H]1CN(CCN(C)CCCO)C[C@H](C)O1 ZINC000195310915 388158096 /nfs/dbraw/zinc/15/80/96/388158096.db2.gz PPVBKOSAKOKIKJ-TXEJJXNPSA-N 0 3 230.352 0.410 20 0 BCADHN CCCN(C)CC(=O)NC(COC)COC ZINC000456238057 388187601 /nfs/dbraw/zinc/18/76/01/388187601.db2.gz SXNJKXQFGPCLAB-UHFFFAOYSA-N 0 3 232.324 0.106 20 0 BCADHN CCn1nnc(C)c1CNCCN1CCCC1 ZINC000449221920 388159334 /nfs/dbraw/zinc/15/93/34/388159334.db2.gz UXEULNKBHQNRLM-UHFFFAOYSA-N 0 3 237.351 0.792 20 0 BCADHN C/C=C\C[C@H](CO)NC(=O)NC[C@H](C)N(C)C ZINC000455435743 388160160 /nfs/dbraw/zinc/16/01/60/388160160.db2.gz SXUYCDOWFZHYKD-TUISVCKWSA-N 0 3 243.351 0.563 20 0 BCADHN COC(=O)CCCNC(=O)NC[C@H](C)N(C)C ZINC000455446088 388160504 /nfs/dbraw/zinc/16/05/04/388160504.db2.gz UWJSIIWOBXFFNO-VIFPVBQESA-N 0 3 245.323 0.189 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1COCC1(C)C)N(C)C ZINC000455450306 388160633 /nfs/dbraw/zinc/16/06/33/388160633.db2.gz WSPQTHCHIUVLGG-UWVGGRQHSA-N 0 3 243.351 0.661 20 0 BCADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)C1(N)CCC1 ZINC000646191876 388162027 /nfs/dbraw/zinc/16/20/27/388162027.db2.gz ZITFOEANXFFKGX-NXEZZACHSA-N 0 3 242.319 0.178 20 0 BCADHN C[C@H](CO[C@H]1CCOC1)NC(=O)C1(N)CCC1 ZINC000646191879 388162231 /nfs/dbraw/zinc/16/22/31/388162231.db2.gz ZITFOEANXFFKGX-ZJUUUORDSA-N 0 3 242.319 0.178 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)C1(N)CCC1 ZINC000449277952 388164930 /nfs/dbraw/zinc/16/49/30/388164930.db2.gz YZBPZFLVPBUXLL-RKDXNWHRSA-N 0 3 214.309 0.391 20 0 BCADHN Cn1ccnc1CNC(=O)[C@@H]1NCC1(C)C ZINC000645928854 388167576 /nfs/dbraw/zinc/16/75/76/388167576.db2.gz OGFRTIJMOFYBED-VIFPVBQESA-N 0 3 222.292 0.034 20 0 BCADHN C[C@H](C[C@H]1CCOC1)NC(=O)C1(N)CCC1 ZINC000646228518 388168548 /nfs/dbraw/zinc/16/85/48/388168548.db2.gz BLIHYKBEEMBSDQ-NXEZZACHSA-N 0 3 226.320 0.799 20 0 BCADHN CC(C)NC(=O)NCCN1C[C@@H](O)CC[C@H]1C ZINC000645929055 388169798 /nfs/dbraw/zinc/16/97/98/388169798.db2.gz ILWXQZBYBNPCIF-MNOVXSKESA-N 0 3 243.351 0.539 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCc1ccc(F)cn1 ZINC000646245544 388169942 /nfs/dbraw/zinc/16/99/42/388169942.db2.gz UHUAXZGIQLVJDN-JTQLQIEISA-N 0 3 237.278 0.835 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)[C@@H]1NCC1(C)C ZINC000646246979 388170285 /nfs/dbraw/zinc/17/02/85/388170285.db2.gz ZAXOGXYMGDUCRO-UWVGGRQHSA-N 0 3 228.336 0.508 20 0 BCADHN C[C@@H](NC(=O)[C@H]1NCC1(C)C)c1cn[nH]c1 ZINC000646271898 388173773 /nfs/dbraw/zinc/17/37/73/388173773.db2.gz ICBBGXNHHCFTJP-VXNVDRBHSA-N 0 3 222.292 0.585 20 0 BCADHN C[C@H](NC(=O)[C@@H]1NCC1(C)C)c1cn[nH]c1 ZINC000646271896 388174074 /nfs/dbraw/zinc/17/40/74/388174074.db2.gz ICBBGXNHHCFTJP-CBAPKCEASA-N 0 3 222.292 0.585 20 0 BCADHN CNC(=O)[C@H](C)N[C@@H](C)Cc1ccoc1 ZINC000449339882 388176071 /nfs/dbraw/zinc/17/60/71/388176071.db2.gz LMEMSTFIJJGMSQ-IUCAKERBSA-N 0 3 210.277 0.935 20 0 BCADHN C[C@@H]1CN(Cc2cn(C)nn2)CCN(C2CC2)C1 ZINC000449346649 388177513 /nfs/dbraw/zinc/17/75/13/388177513.db2.gz OKEMDHUUKKTTPJ-LLVKDONJSA-N 0 3 249.362 0.731 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@H]2NCC2(C)C)CCO1 ZINC000646296159 388177828 /nfs/dbraw/zinc/17/78/28/388177828.db2.gz AVAYCCZKEDNOKE-WDEREUQCSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@H]1CN(Cc2cn(C)nn2)CCN(C2CC2)C1 ZINC000449346650 388177959 /nfs/dbraw/zinc/17/79/59/388177959.db2.gz OKEMDHUUKKTTPJ-NSHDSACASA-N 0 3 249.362 0.731 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456155285 388182460 /nfs/dbraw/zinc/18/24/60/388182460.db2.gz AXVSZQWHETUVMM-DMDPSCGWSA-N 0 3 240.347 0.556 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@@H](O)C3CCC3)C[C@@H]21 ZINC000456156109 388182614 /nfs/dbraw/zinc/18/26/14/388182614.db2.gz BVXBZFZUFYZHIX-WOPDTQHZSA-N 0 3 238.331 0.310 20 0 BCADHN CC[C@H](C)[C@@H](O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456170793 388182783 /nfs/dbraw/zinc/18/27/83/388182783.db2.gz QNSLVQNBHZHWOF-NNYUYHANSA-N 0 3 240.347 0.556 20 0 BCADHN CC[C@@H](C)[C@H](O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456170792 388183047 /nfs/dbraw/zinc/18/30/47/388183047.db2.gz QNSLVQNBHZHWOF-KXNHARMFSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@@H](O)CN1CCN(C[C@@H]2C[C@H]2C)CC1 ZINC000488537843 388185271 /nfs/dbraw/zinc/18/52/71/388185271.db2.gz BNGQJPUDRMJJDJ-UTUOFQBUSA-N 0 3 212.337 0.641 20 0 BCADHN CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)O ZINC000456217093 388185372 /nfs/dbraw/zinc/18/53/72/388185372.db2.gz LUZIYOCUKWUHMV-GARJFASQSA-N 0 3 230.352 0.848 20 0 BCADHN C[C@@H](O)CN1CCN(C[C@H]2C[C@H]2C)CC1 ZINC000488537836 388185428 /nfs/dbraw/zinc/18/54/28/388185428.db2.gz BNGQJPUDRMJJDJ-IJLUTSLNSA-N 0 3 212.337 0.641 20 0 BCADHN CCCCOC[C@@H](O)CN[C@@](C)(CC)C(N)=O ZINC000195191655 388116401 /nfs/dbraw/zinc/11/64/01/388116401.db2.gz AYQAUVKHBJLTMG-JQWIXIFHSA-N 0 3 246.351 0.408 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC000645986969 388117321 /nfs/dbraw/zinc/11/73/21/388117321.db2.gz WJDBNJWCMTWYIE-SNVBAGLBSA-N 0 3 249.314 0.629 20 0 BCADHN CC[C@H](O)CC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000448882241 388117329 /nfs/dbraw/zinc/11/73/29/388117329.db2.gz NIASCUZFTMCELA-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@H](O)CC(=O)N1CCC[C@@H]1CN(C)C ZINC000448879378 388117378 /nfs/dbraw/zinc/11/73/78/388117378.db2.gz AETFIYBJLAPTAD-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@@H](O)CC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000448891886 388117676 /nfs/dbraw/zinc/11/76/76/388117676.db2.gz XECJKGCIGDJFDH-MWLCHTKSSA-N 0 3 228.336 0.746 20 0 BCADHN CCN(CCNC(=O)C1CC(C)(O)C1)C1CC1 ZINC000448899378 388118286 /nfs/dbraw/zinc/11/82/86/388118286.db2.gz VWFQXCSAKXYLKX-UHFFFAOYSA-N 0 3 240.347 0.748 20 0 BCADHN CCCN(CCN(C)C)C(=O)C[C@H](O)CC ZINC000448913384 388120081 /nfs/dbraw/zinc/12/00/81/388120081.db2.gz SFENMHBFOWLVRI-LLVKDONJSA-N 0 3 230.352 0.948 20 0 BCADHN C[C@@H](CNC(=O)NCCOCC1CC1)N(C)C ZINC000454481956 388120397 /nfs/dbraw/zinc/12/03/97/388120397.db2.gz CWEHIIOGBGWPSP-JTQLQIEISA-N 0 3 243.351 0.662 20 0 BCADHN CC[C@@H](O)CC(=O)N1CCCN(CC)CC1 ZINC000448940787 388121830 /nfs/dbraw/zinc/12/18/30/388121830.db2.gz JDZDCGSEBJBDIU-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN CNC(=O)CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000171236261 388123298 /nfs/dbraw/zinc/12/32/98/388123298.db2.gz ISIRBGMYOAGJRD-GUBZILKMSA-N 0 3 241.335 0.110 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CC)[C@@H](C)O ZINC000456222619 388186267 /nfs/dbraw/zinc/18/62/67/388186267.db2.gz OKARSEDTTGGOAU-NXEZZACHSA-N 0 3 216.325 0.604 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CC)[C@@H](C)O ZINC000456222624 388186394 /nfs/dbraw/zinc/18/63/94/388186394.db2.gz OKARSEDTTGGOAU-ZJUUUORDSA-N 0 3 216.325 0.604 20 0 BCADHN CCOC[C@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000454828401 388135296 /nfs/dbraw/zinc/13/52/96/388135296.db2.gz DPTUCKMUAYCOBM-UWVGGRQHSA-N 0 3 231.340 0.661 20 0 BCADHN C[C@@H](CNC(=O)NCCC(C)(C)O)N(C)C ZINC000454821877 388135568 /nfs/dbraw/zinc/13/55/68/388135568.db2.gz XSBVYNPZMQCFLO-VIFPVBQESA-N 0 3 231.340 0.397 20 0 BCADHN CCC[C@H](O)CN[C@H](C)CS(=O)(=O)CC ZINC000162257599 388136698 /nfs/dbraw/zinc/13/66/98/388136698.db2.gz OVSCYUFDYASNDQ-ZJUUUORDSA-N 0 3 237.365 0.560 20 0 BCADHN CO[C@@H](C)CN1CCN(CC(C)(C)O)CC1 ZINC000164054183 388140343 /nfs/dbraw/zinc/14/03/43/388140343.db2.gz VIJCMEQFTJFCAG-NSHDSACASA-N 0 3 230.352 0.410 20 0 BCADHN CC[C@H](CCO)N[C@H]1CCCS(=O)(=O)C1 ZINC000162280654 388140556 /nfs/dbraw/zinc/14/05/56/388140556.db2.gz UAHIUVUGRYFTFG-ZJUUUORDSA-N 0 3 235.349 0.314 20 0 BCADHN CSC[C@@H](C)N[C@H](C)CS(C)(=O)=O ZINC000162273761 388140813 /nfs/dbraw/zinc/14/08/13/388140813.db2.gz PBEIKNPXDPQVNN-HTQZYQBOSA-N 0 3 225.379 0.761 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1CSC[C@H]1C)N(C)C ZINC000454947609 388140877 /nfs/dbraw/zinc/14/08/77/388140877.db2.gz RCVMKDDGIJSHLZ-KXUCPTDWSA-N 0 3 245.392 0.987 20 0 BCADHN C[C@@H]1CC2(CN1CC(=O)N(C)C)CCOCC2 ZINC000646096346 388141927 /nfs/dbraw/zinc/14/19/27/388141927.db2.gz FYFPRLNOIYLZKK-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CCCN[C@H](C)C(=O)N(CCC)CC(=O)NC ZINC000449101659 388142290 /nfs/dbraw/zinc/14/22/90/388142290.db2.gz VBSIRIDAXUIICV-SNVBAGLBSA-N 0 3 243.351 0.359 20 0 BCADHN CCCN[C@@H](C)C(=O)N(C)CC(=O)NC(C)C ZINC000449105034 388143300 /nfs/dbraw/zinc/14/33/00/388143300.db2.gz YAAYBBMOYNKWHL-JTQLQIEISA-N 0 3 243.351 0.358 20 0 BCADHN CCC[C@H](C(=O)N1CC(C)(CO)C1)N(C)C ZINC000456232438 388187029 /nfs/dbraw/zinc/18/70/29/388187029.db2.gz NYXQJCUNYLCUFG-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)[C@@H](C)NC1CC1 ZINC000449138021 388147953 /nfs/dbraw/zinc/14/79/53/388147953.db2.gz HBSCFRXKRDIASE-KOLCDFICSA-N 0 3 228.336 0.650 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@H](C)NC1CC1)C1CC1 ZINC000449143846 388148527 /nfs/dbraw/zinc/14/85/27/388148527.db2.gz XVFPMFICKJLLLA-XVKPBYJWSA-N 0 3 240.303 0.195 20 0 BCADHN CCOC(=O)[C@@H](C)CNC(=O)[C@H](C)NC1CC1 ZINC000449149254 388149209 /nfs/dbraw/zinc/14/92/09/388149209.db2.gz MXSMFFZOHFUWDS-IUCAKERBSA-N 0 3 242.319 0.442 20 0 BCADHN CCCN[C@@H](C)C(=O)N(CC(N)=O)CC(C)C ZINC000449167043 388152049 /nfs/dbraw/zinc/15/20/49/388152049.db2.gz HRXTYDBXQKPQRE-JTQLQIEISA-N 0 3 243.351 0.344 20 0 BCADHN CCC[C@H](NC(=O)[C@H](C)NC1CC1)C(=O)OC ZINC000449173546 388152243 /nfs/dbraw/zinc/15/22/43/388152243.db2.gz NXXKJELYMRKOHT-WPRPVWTQSA-N 0 3 242.319 0.585 20 0 BCADHN CCO[C@@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000449663121 388249849 /nfs/dbraw/zinc/24/98/49/388249849.db2.gz NRLBZKPBCYZOHB-YUMQZZPRSA-N 0 3 236.262 0.525 20 0 BCADHN COCCCC(=O)N[C@@H]1CNCCC1(F)F ZINC000449664966 388250021 /nfs/dbraw/zinc/25/00/21/388250021.db2.gz QJPGSZOTSNZMBH-MRVPVSSYSA-N 0 3 236.262 0.526 20 0 BCADHN COC[C@H](O)CNCc1sccc1OC ZINC000166700815 388255198 /nfs/dbraw/zinc/25/51/98/388255198.db2.gz DBHUZFDIMUXURW-MRVPVSSYSA-N 0 3 231.317 0.854 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H](C(=O)OC)C1CC1 ZINC000490811453 388255592 /nfs/dbraw/zinc/25/55/92/388255592.db2.gz MYSJAWTWFBRANZ-RKDXNWHRSA-N 0 3 228.292 0.182 20 0 BCADHN CCC(=O)N[C@H](C)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000646303993 388189364 /nfs/dbraw/zinc/18/93/64/388189364.db2.gz GTVFARNAQJIINK-IVZWLZJFSA-N 0 3 241.335 0.110 20 0 BCADHN CO[C@@H]1CN(Cc2ccn(C)c2)C[C@H]1OC ZINC000488576165 388189387 /nfs/dbraw/zinc/18/93/87/388189387.db2.gz VGGZFLSCJBCAGF-VXGBXAGGSA-N 0 3 224.304 0.871 20 0 BCADHN CSC[C@@H](O)CN1CCN(C)C[C@H]1C ZINC000488598532 388189729 /nfs/dbraw/zinc/18/97/29/388189729.db2.gz RXETUCBIQIOCJE-ZJUUUORDSA-N 0 3 218.366 0.346 20 0 BCADHN COC(=O)C(C)(C)CCN1CCOC[C@H](O)C1 ZINC000449417558 388199907 /nfs/dbraw/zinc/19/99/07/388199907.db2.gz YWVSODDGZNUMFT-SNVBAGLBSA-N 0 3 245.319 0.269 20 0 BCADHN C[C@@H](CN=c1ncnc2[nH][n-]cc1-2)C[NH+](C)C ZINC000489008609 388201612 /nfs/dbraw/zinc/20/16/12/388201612.db2.gz HGZPCOFMLHYZOS-QMMMGPOBSA-N 0 3 234.307 0.336 20 0 BCADHN O=C1CCCN1CCN1CC[C@](O)(C2CC2)C1 ZINC000489151785 388205161 /nfs/dbraw/zinc/20/51/61/388205161.db2.gz QXYQUYQFHMLQDM-CYBMUJFWSA-N 0 3 238.331 0.456 20 0 BCADHN C[C@H]1CSC[C@H]1N[C@H]1CCCNC1=O ZINC000449438539 388206486 /nfs/dbraw/zinc/20/64/86/388206486.db2.gz QERTYCPAPFLFFU-XHNCKOQMSA-N 0 3 214.334 0.606 20 0 BCADHN C[C@H]1C[C@H](N[C@H]2CCCNC2=O)CN1C1CC1 ZINC000449440519 388207229 /nfs/dbraw/zinc/20/72/29/388207229.db2.gz ZXEYNTALZUGXKQ-NHCYSSNCSA-N 0 3 237.347 0.480 20 0 BCADHN CCN(C)CCNC(=O)c1occc1N ZINC000313198787 256544875 /nfs/dbraw/zinc/54/48/75/256544875.db2.gz SSARBSYIPDSGAB-UHFFFAOYSA-N 0 3 211.265 0.543 20 0 BCADHN COCCN(C[C@H](O)COC)[C@@H]1CCO[C@@H]1C ZINC000489406194 388212209 /nfs/dbraw/zinc/21/22/09/388212209.db2.gz OFMNXKXRMQGATA-GRYCIOLGSA-N 0 3 247.335 0.120 20 0 BCADHN CN(C[C@H](O)CN1CCCC1=O)[C@H]1CC1(C)C ZINC000489435028 388213934 /nfs/dbraw/zinc/21/39/34/388213934.db2.gz XCVKZUGFGWDQQC-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CC)[C@@H](O)CC ZINC000456709389 388216772 /nfs/dbraw/zinc/21/67/72/388216772.db2.gz LULKCBPKYJUZJW-QWRGUYRKSA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CC)[C@@H](O)CC)N(C)C ZINC000456733637 388218449 /nfs/dbraw/zinc/21/84/49/388218449.db2.gz SMJLJDHISPYPPR-AXFHLTTASA-N 0 3 230.352 0.992 20 0 BCADHN C[C@@H](N)C(=O)N1CCOC[C@@H]1Cc1ccccc1 ZINC000489857929 388226065 /nfs/dbraw/zinc/22/60/65/388226065.db2.gz XWAMXGWWCOIEJN-YPMHNXCESA-N 0 3 248.326 0.804 20 0 BCADHN C[C@@H]1CN(Cc2ccncc2)C[C@H](C)N1CCO ZINC000449538053 388226457 /nfs/dbraw/zinc/22/64/57/388226457.db2.gz GVHOZMGMUWPBFI-BETUJISGSA-N 0 3 249.358 0.969 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H]1CCC[C@H]1O)N(C)C ZINC000456845146 388227183 /nfs/dbraw/zinc/22/71/83/388227183.db2.gz IIPHDVCHWPTFCT-GARJFASQSA-N 0 3 228.336 0.604 20 0 BCADHN CCC[C@@H](C(=O)NC[C@@H]1CCC[C@H]1O)N(C)C ZINC000456849150 388227382 /nfs/dbraw/zinc/22/73/82/388227382.db2.gz ZAZJVDMSRDFKGN-SDDRHHMPSA-N 0 3 242.363 0.994 20 0 BCADHN COCCN(C[C@@H](C)OC)[C@H]1CCOC1 ZINC000490046408 388232573 /nfs/dbraw/zinc/23/25/73/388232573.db2.gz UMPDVIHBYXDZKY-MNOVXSKESA-N 0 3 217.309 0.759 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCNC[C@](C)(F)C1 ZINC000449575114 388235559 /nfs/dbraw/zinc/23/55/59/388235559.db2.gz KDDUTXCFHGOMKD-SCVCMEIPSA-N 0 3 245.342 0.520 20 0 BCADHN CN1CC[C@H]2CCN(C(=O)[C@H]3CCCO3)[C@H]2C1 ZINC000490196169 388236039 /nfs/dbraw/zinc/23/60/39/388236039.db2.gz GMIBXUXGDJXOKP-SDDRHHMPSA-N 0 3 238.331 0.718 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)COCC(F)(F)F ZINC000490205362 388236274 /nfs/dbraw/zinc/23/62/74/388236274.db2.gz TWXXETMSLSIISQ-RQJHMYQMSA-N 0 3 242.241 0.807 20 0 BCADHN CCC[C@@H](C)[C@H](CO)NCC(=O)N(C)C ZINC000518382815 256569903 /nfs/dbraw/zinc/56/99/03/256569903.db2.gz DDFIWHJQSOQAGC-ZJUUUORDSA-N 0 3 216.325 0.461 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2ccncn2)CCCN1C ZINC000490257873 388236428 /nfs/dbraw/zinc/23/64/28/388236428.db2.gz XWCRVXRTKXYVTO-ZJUUUORDSA-N 0 3 234.303 0.689 20 0 BCADHN COC(=O)C(C)(C)CCN1C[C@@H](O)[C@H](OC)C1 ZINC000449574531 388236688 /nfs/dbraw/zinc/23/66/88/388236688.db2.gz XKTDHWWSNDWNCT-NXEZZACHSA-N 0 3 245.319 0.267 20 0 BCADHN CC(C)[C@@H](C(=O)N1C[C@H](C)C[C@@H](O)C1)N(C)C ZINC000457009192 388236842 /nfs/dbraw/zinc/23/68/42/388236842.db2.gz SHAHJQZOEKPPOZ-UTUOFQBUSA-N 0 3 242.363 0.802 20 0 BCADHN C[C@H](O)C[C@H](C)N[C@@H](C)CS(C)(=O)=O ZINC000164628412 388241999 /nfs/dbraw/zinc/24/19/99/388241999.db2.gz ZSHKZGZQZGVLEC-CIUDSAMLSA-N 0 3 223.338 0.169 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)C1CCC1 ZINC000449657791 388247538 /nfs/dbraw/zinc/24/75/38/388247538.db2.gz QTRCQZCNCGLQFF-MRVPVSSYSA-N 0 3 218.247 0.900 20 0 BCADHN CCn1ncnc1CNC(=O)/C=C/CN(C)C ZINC000492008453 388331463 /nfs/dbraw/zinc/33/14/63/388331463.db2.gz QCUSROAOILKJFV-AATRIKPKSA-N 0 3 237.307 0.032 20 0 BCADHN C[C@H](N)C(=O)Nc1nnc(C(F)F)s1 ZINC000261529677 135156288 /nfs/dbraw/zinc/15/62/88/135156288.db2.gz BIJPLMJWTHBEDL-REOHCLBHSA-N 0 3 222.220 0.761 20 0 BCADHN CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000451665715 388287947 /nfs/dbraw/zinc/28/79/47/388287947.db2.gz FOEXAYIEWTWKJC-SNVBAGLBSA-N 0 3 229.324 0.152 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1C[C@H](O)C1(C)C ZINC000163431149 388288630 /nfs/dbraw/zinc/28/86/30/388288630.db2.gz BMUOCOSEYBRABD-GUBZILKMSA-N 0 3 249.376 0.559 20 0 BCADHN CCNC(=O)CN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451715527 388291690 /nfs/dbraw/zinc/29/16/90/388291690.db2.gz TZOGNHHNPWSNDR-IJLUTSLNSA-N 0 3 240.347 0.605 20 0 BCADHN CCC[C@H](OC)C(=O)N[C@@H](C)CN(C)C ZINC000451759497 388294164 /nfs/dbraw/zinc/29/41/64/388294164.db2.gz LAQGZJJTKQEFBS-UWVGGRQHSA-N 0 3 216.325 0.868 20 0 BCADHN CCC(=O)C1(C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000451755681 388294255 /nfs/dbraw/zinc/29/42/55/388294255.db2.gz FODIGGQOWFVBMN-VIFPVBQESA-N 0 3 226.320 0.812 20 0 BCADHN CO[C@@H]1CN(CCOC2CCC2)C[C@H]1O ZINC000451765037 388294454 /nfs/dbraw/zinc/29/44/54/388294454.db2.gz UCWFEPHCWRTMJF-GHMZBOCLSA-N 0 3 215.293 0.247 20 0 BCADHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(N)=O ZINC000451795386 388296783 /nfs/dbraw/zinc/29/67/83/388296783.db2.gz ZGBPHYBLCXSQPQ-YIZRAAEISA-N 0 3 228.292 0.182 20 0 BCADHN CO[C@@H](C)CNC(=O)/C=C\CN(C)C ZINC000492020256 388331965 /nfs/dbraw/zinc/33/19/65/388331965.db2.gz PYLIKYFLECOHPL-UDIARPCQSA-N 0 3 200.282 0.255 20 0 BCADHN CN(C)C/C=C\C(=O)NCC(=O)OCC1CC1 ZINC000491686612 388310830 /nfs/dbraw/zinc/31/08/30/388310830.db2.gz ROCOHFHZRIMYOM-ARJAWSKDSA-N 0 3 240.303 0.174 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)/C=C\CN(C)C ZINC000491841351 388324459 /nfs/dbraw/zinc/32/44/59/388324459.db2.gz CCTNBIKUNCXSJS-UDIARPCQSA-N 0 3 228.292 0.030 20 0 BCADHN CN(C)C/C=C\C(=O)NCC1(C)COC1 ZINC000491841620 388324469 /nfs/dbraw/zinc/32/44/69/388324469.db2.gz COQSWUZRXKDAKQ-PLNGDYQASA-N 0 3 212.293 0.257 20 0 BCADHN COc1ccc(CNC(=O)/C=C/CN(C)C)cn1 ZINC000491866832 388325279 /nfs/dbraw/zinc/32/52/79/388325279.db2.gz JTPKAQDPWGJQON-SNAWJCMRSA-N 0 3 249.314 0.824 20 0 BCADHN CN(C)C/C=C\C(=O)Nc1ccc(C(N)=O)cc1 ZINC000491865724 388325373 /nfs/dbraw/zinc/32/53/73/388325373.db2.gz IDVKAWVOBGWQFU-ARJAWSKDSA-N 0 3 247.298 0.842 20 0 BCADHN CN(C)C/C=C\C(=O)NCCn1ccnc1 ZINC000491873437 388325428 /nfs/dbraw/zinc/32/54/28/388325428.db2.gz TZOGOVBRTQQPHQ-ARJAWSKDSA-N 0 3 222.292 0.117 20 0 BCADHN CN(C)C/C=C\C(=O)NCc1ccc(=O)[nH]c1 ZINC000491873460 388325535 /nfs/dbraw/zinc/32/55/35/388325535.db2.gz UFSQCMLOFWBBTA-ARJAWSKDSA-N 0 3 235.287 0.521 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCN(C2CC2)CC1 ZINC000491874716 388325756 /nfs/dbraw/zinc/32/57/56/388325756.db2.gz WLSRJUXDYUDIMA-ONEGZZNKSA-N 0 3 237.347 0.411 20 0 BCADHN CN(C)C/C=C\C(=O)Nc1ccnn1C ZINC000491875069 388325794 /nfs/dbraw/zinc/32/57/94/388325794.db2.gz XYENIOIHRZRBIP-PLNGDYQASA-N 0 3 208.265 0.476 20 0 BCADHN CCC1(O)CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000491901406 388326893 /nfs/dbraw/zinc/32/68/93/388326893.db2.gz AHMGYFHXNJNXHE-WAYWQWQTSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@@H]1COC[C@@H](C)N1C(=O)/C=C\CN(C)C ZINC000491928784 388328040 /nfs/dbraw/zinc/32/80/40/388328040.db2.gz ZOTMSCQRWUAQJH-ADRPCIBZSA-N 0 3 226.320 0.740 20 0 BCADHN COC(C)(C)CNC(=O)/C=C\CN(C)C ZINC000491931513 388328512 /nfs/dbraw/zinc/32/85/12/388328512.db2.gz ZHSJUEZETZFWBP-SREVYHEPSA-N 0 3 214.309 0.645 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@](C)(O)C1CC1 ZINC000491937287 388328598 /nfs/dbraw/zinc/32/85/98/388328598.db2.gz IHDRIIHSEKWGCY-RXNFCKPNSA-N 0 3 226.320 0.381 20 0 BCADHN Cc1cnc(CNCCCCCO)n1C ZINC000336662863 388261364 /nfs/dbraw/zinc/26/13/64/388261364.db2.gz CIUDOBNRTFUQDI-UHFFFAOYSA-N 0 3 211.309 0.981 20 0 BCADHN CCOCCN1CC[C@@](COC)(C(=O)OC)C1 ZINC000451330573 388263081 /nfs/dbraw/zinc/26/30/81/388263081.db2.gz PWWJCKGEIVJEGJ-GFCCVEGCSA-N 0 3 245.319 0.534 20 0 BCADHN COCCN1CC[C@@](COC)(C(=O)OC)C1 ZINC000451326860 388263461 /nfs/dbraw/zinc/26/34/61/388263461.db2.gz FDHQZLMOLZUKCD-LLVKDONJSA-N 0 3 231.292 0.144 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000645920480 388263815 /nfs/dbraw/zinc/26/38/15/388263815.db2.gz IIDPSZPZAANBML-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)CN ZINC000491072679 388268087 /nfs/dbraw/zinc/26/80/87/388268087.db2.gz BCKGBAXJRDEKLL-QMMMGPOBSA-N 0 3 237.307 0.311 20 0 BCADHN CC[C@](C)(O)CN1CC[C@@](O)(C(F)F)C1 ZINC000451421404 388270658 /nfs/dbraw/zinc/27/06/58/388270658.db2.gz BRJWRQBERCWKLY-UWVGGRQHSA-N 0 3 223.263 0.849 20 0 BCADHN CC(C)(O)CCN1CC[C@](O)(C(F)F)C1 ZINC000451437236 388273284 /nfs/dbraw/zinc/27/32/84/388273284.db2.gz SWDLYAYYZXCHPU-SNVBAGLBSA-N 0 3 223.263 0.849 20 0 BCADHN CC(C)[C@H](O)CN1CC[C@@](O)(C(F)F)C1 ZINC000451440654 388273925 /nfs/dbraw/zinc/27/39/25/388273925.db2.gz XIOWUVZKWPEJLK-SCZZXKLOSA-N 0 3 223.263 0.705 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000491175979 388275331 /nfs/dbraw/zinc/27/53/31/388275331.db2.gz ZXOKBBGNMJAPGR-OUAUKWLOSA-N 0 3 228.336 0.901 20 0 BCADHN Cn1cc(CCCN2CC(C)(C(N)=O)C2)cn1 ZINC000645957523 388275857 /nfs/dbraw/zinc/27/58/57/388275857.db2.gz WWIRODGIBDZCMD-UHFFFAOYSA-N 0 3 236.319 0.160 20 0 BCADHN CC(C)O[C@H]1C[C@H](NCC(N)=O)C1(C)C ZINC000451511901 388278365 /nfs/dbraw/zinc/27/83/65/388278365.db2.gz ZRKMCVFGUGNVPY-IUCAKERBSA-N 0 3 214.309 0.653 20 0 BCADHN CN(C)C/C=C\C(=O)NCC(=O)C(C)(C)C ZINC000492312879 388341135 /nfs/dbraw/zinc/34/11/35/388341135.db2.gz NGNMOWQAMWETOX-SREVYHEPSA-N 0 3 226.320 0.836 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)CC1CCOCC1 ZINC000492317602 388341414 /nfs/dbraw/zinc/34/14/14/388341414.db2.gz FTLJVHCSQHMIGG-SNAWJCMRSA-N 0 3 240.347 0.989 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)/C=C\CN(C)C)CCO1 ZINC000492338152 388342021 /nfs/dbraw/zinc/34/20/21/388342021.db2.gz CFIVIVUWCVMLIX-WQMVXFAESA-N 0 3 226.320 0.788 20 0 BCADHN CN(C)C/C=C\C(=O)NC(C)(C)CCO ZINC000492359039 388342499 /nfs/dbraw/zinc/34/24/99/388342499.db2.gz NXUJFXVVSQEYIH-WAYWQWQTSA-N 0 3 214.309 0.381 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@H](CO)c1ccccc1 ZINC000492377369 388342647 /nfs/dbraw/zinc/34/26/47/388342647.db2.gz GWDPLXLCAKHLAF-OYVUYXNMSA-N 0 3 248.326 0.954 20 0 BCADHN CN(C)C/C=C\C(=O)NN1CCCCC1 ZINC000492380836 388342987 /nfs/dbraw/zinc/34/29/87/388342987.db2.gz AAYSLPJTJXYBRE-SREVYHEPSA-N 0 3 211.309 0.621 20 0 BCADHN CCC[C@H](NC(=O)/C=C/CN(C)C)C(=O)OC ZINC000492381291 388343017 /nfs/dbraw/zinc/34/30/17/388343017.db2.gz BUAUTMARRMOUFY-PCGIRMHASA-N 0 3 242.319 0.562 20 0 BCADHN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1ccco1 ZINC000573000414 388404109 /nfs/dbraw/zinc/40/41/09/388404109.db2.gz BIPDUTVLTMDBER-QMMMGPOBSA-N 0 3 232.305 0.685 20 0 BCADHN CCN(C)CCNC(=O)c1cccnc1F ZINC000233430956 388346289 /nfs/dbraw/zinc/34/62/89/388346289.db2.gz QFWWGSLUORUMGP-UHFFFAOYSA-N 0 3 225.267 0.902 20 0 BCADHN CCN1CCN(C(=O)[C@H]2NCC2(C)C)CC1 ZINC000646391857 388349004 /nfs/dbraw/zinc/34/90/04/388349004.db2.gz ZPCFGJZFUFQZSB-SNVBAGLBSA-N 0 3 225.336 0.149 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000516568597 388349153 /nfs/dbraw/zinc/34/91/53/388349153.db2.gz NOOKWAHHEUOMFP-NWDGAFQWSA-N 0 3 240.347 0.999 20 0 BCADHN Cc1cc(C)cc(CN2CC[C@@](O)(C(N)=O)C2)c1 ZINC000276489704 388349942 /nfs/dbraw/zinc/34/99/42/388349942.db2.gz UZRYGLNRFGLPAT-AWEZNQCLSA-N 0 3 248.326 0.726 20 0 BCADHN Cn1nccc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000002767434 388350067 /nfs/dbraw/zinc/35/00/67/388350067.db2.gz UXRSLWAHPLYPRR-JTQLQIEISA-N 0 3 234.303 0.340 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)Nc1cncnc1 ZINC000646436706 388359193 /nfs/dbraw/zinc/35/91/93/388359193.db2.gz YLPWKZCVUXMZFA-MRVPVSSYSA-N 0 3 206.249 0.413 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)NCc1ccno1 ZINC000646439069 388359213 /nfs/dbraw/zinc/35/92/13/388359213.db2.gz UNUYKWBQYUDKDR-VIFPVBQESA-N 0 3 239.275 0.059 20 0 BCADHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)C1CC1 ZINC000646446639 388359842 /nfs/dbraw/zinc/35/98/42/388359842.db2.gz KLVAOOJZIAUTPU-NWDGAFQWSA-N 0 3 238.331 0.718 20 0 BCADHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)C1CC1 ZINC000646446640 388360128 /nfs/dbraw/zinc/36/01/28/388360128.db2.gz KLVAOOJZIAUTPU-RYUDHWBXSA-N 0 3 238.331 0.718 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](C)CCN2)C1 ZINC000234814363 388360798 /nfs/dbraw/zinc/36/07/98/388360798.db2.gz IIBWRBVGXUQREY-AXFHLTTASA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@H](C)[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000572648296 388362793 /nfs/dbraw/zinc/36/27/93/388362793.db2.gz XCPMNGSPYXHGQJ-BJDJZHNGSA-N 0 3 242.363 0.802 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ccc(CO)c(F)c1 ZINC000572638829 388363058 /nfs/dbraw/zinc/36/30/58/388363058.db2.gz CVCDOEMTOTYKMS-LLVKDONJSA-N 0 3 240.278 0.672 20 0 BCADHN CCOC(=O)CCCN1CC[C@H](CO)[C@@H](O)C1 ZINC000572678319 388365250 /nfs/dbraw/zinc/36/52/50/388365250.db2.gz NFGPKOBHKSYASB-MNOVXSKESA-N 0 3 245.319 0.005 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCOC(C)(C)C ZINC000163716544 388366585 /nfs/dbraw/zinc/36/65/85/388366585.db2.gz JHGGLILTJKISBL-SECBINFHSA-N 0 3 237.365 0.824 20 0 BCADHN CC(C)(C)OCCN[C@@H]1CCCS(=O)(=O)C1 ZINC000163718619 388366681 /nfs/dbraw/zinc/36/66/81/388366681.db2.gz HVQLHDZEVYJGOJ-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN C[C@H]1CCCN(CC(=O)NC2CC2)[C@H]1CO ZINC000305168205 388367153 /nfs/dbraw/zinc/36/71/53/388367153.db2.gz INMPZZJOMLXBAK-ONGXEEELSA-N 0 3 226.320 0.358 20 0 BCADHN CC(C)(N)C(=O)Nc1cnn(CC2CC2)c1 ZINC000646492286 388368115 /nfs/dbraw/zinc/36/81/15/388368115.db2.gz NTOLRRMFTDABEI-UHFFFAOYSA-N 0 3 222.292 0.969 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H]1CCOC1)N(C)C ZINC000163866620 388368954 /nfs/dbraw/zinc/36/89/54/388368954.db2.gz ORLGMDPFUFLWNN-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN CC/C=C\CNC[C@@H](C)S(C)(=O)=O ZINC000572714542 388369755 /nfs/dbraw/zinc/36/97/55/388369755.db2.gz OIOJVHGPCPLHJJ-SSJHQANKSA-N 0 3 205.323 0.975 20 0 BCADHN COCCOC[C@H](O)CN[C@@H]1CCCC[C@H]1F ZINC000519387781 256647838 /nfs/dbraw/zinc/64/78/38/256647838.db2.gz XJLZZXNSHGGLTF-IJLUTSLNSA-N 0 3 249.326 0.881 20 0 BCADHN CNCC(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000646508167 388371499 /nfs/dbraw/zinc/37/14/99/388371499.db2.gz WVKXCGQNSHCJKF-SECBINFHSA-N 0 3 208.265 0.293 20 0 BCADHN CCN1CCC(NC(=O)N(C)CCO)CC1 ZINC000305697073 388372758 /nfs/dbraw/zinc/37/27/58/388372758.db2.gz ANXYCAOTVCFZPY-UHFFFAOYSA-N 0 3 229.324 0.104 20 0 BCADHN CC(C(=O)N1CC[C@@H](C)[C@@H](C)C1)S(C)(=O)=O ZINC000133006561 388375540 /nfs/dbraw/zinc/37/55/40/388375540.db2.gz DAXFEKBREVYNCD-KXUCPTDWSA-N 0 3 247.360 0.924 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)COCC2CC2)C1 ZINC000524719314 388375929 /nfs/dbraw/zinc/37/59/29/388375929.db2.gz DTGPJHVBBURNSM-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000646534755 388377934 /nfs/dbraw/zinc/37/79/34/388377934.db2.gz QOMNQDZWACIPRC-MXWKQRLJSA-N 0 3 242.363 0.979 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@@H]2NCC2(C)C)no1 ZINC000646535617 388377985 /nfs/dbraw/zinc/37/79/85/388377985.db2.gz ZYSQNLYXMSWZNK-VIFPVBQESA-N 0 3 238.291 0.334 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)[C@H](N)CC(C)C ZINC000646551368 388379937 /nfs/dbraw/zinc/37/99/37/388379937.db2.gz SYIOTNIESJFKOJ-LPEHRKFASA-N 0 3 216.325 0.899 20 0 BCADHN NC(=O)[C@H]1CCCN1C[C@H]1CCCC[C@H]1O ZINC000573005305 388405918 /nfs/dbraw/zinc/40/59/18/388405918.db2.gz LBHISFANAJODHM-GMTAPVOTSA-N 0 3 226.320 0.487 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@H](C)C[C@H](C)O ZINC000236758174 388382585 /nfs/dbraw/zinc/38/25/85/388382585.db2.gz QPNFGXDQPXQOQK-UTLUCORTSA-N 0 3 216.325 0.493 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)C[C@H]1CCOC1 ZINC000236691562 388382635 /nfs/dbraw/zinc/38/26/35/388382635.db2.gz DMMLFCBNYXNCCM-GHMZBOCLSA-N 0 3 228.336 0.999 20 0 BCADHN CCCC[C@H](N)C(=O)NCCCC(=O)N(C)C ZINC000236792477 388383686 /nfs/dbraw/zinc/38/36/86/388383686.db2.gz XLUJSUDOTDIVLC-JTQLQIEISA-N 0 3 243.351 0.489 20 0 BCADHN CCO[C@H](C)C(=O)N1CCCNCC1 ZINC000236907883 388385426 /nfs/dbraw/zinc/38/54/26/388385426.db2.gz WPBAPDAPOKQLOV-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN CC[C@H](NC(=O)CN)c1c(C)nn(C)c1C ZINC000237000038 388387116 /nfs/dbraw/zinc/38/71/16/388387116.db2.gz WCFJLYHOZQUJAR-VIFPVBQESA-N 0 3 224.308 0.563 20 0 BCADHN CCOC(=O)[C@@H](NC(=O)[C@@H](N)CC)[C@@H](C)CC ZINC000236952836 388387141 /nfs/dbraw/zinc/38/71/41/388387141.db2.gz YISGLSMEHFIWLZ-GUBZILKMSA-N 0 3 244.335 0.818 20 0 BCADHN CO[C@@H]1CC[C@H](NCc2cnnn2C)C1 ZINC000231681020 388387391 /nfs/dbraw/zinc/38/73/91/388387391.db2.gz NNAYZUJTIZRBAB-WCBMZHEXSA-N 0 3 210.281 0.472 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC ZINC000236986228 388387990 /nfs/dbraw/zinc/38/79/90/388387990.db2.gz KNUYNTOHCWEVOG-CIUDSAMLSA-N 0 3 229.324 0.143 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000236971193 388388040 /nfs/dbraw/zinc/38/80/40/388388040.db2.gz HNBCFOPDFLTLDR-MIMYLULJSA-N 0 3 241.335 0.097 20 0 BCADHN Cc1cc(C)cc(N(C)C(=O)[C@@H]2C[C@H](O)CN2)c1 ZINC000237072161 388388335 /nfs/dbraw/zinc/38/83/35/388388335.db2.gz FMIARSNPESCVEV-STQMWFEESA-N 0 3 248.326 0.989 20 0 BCADHN CC[C@H]1CN(C(=O)C(C)(C)N)C[C@@H](C)O1 ZINC000237038404 388388346 /nfs/dbraw/zinc/38/83/46/388388346.db2.gz ZURCIKSGZDBBFV-BDAKNGLRSA-N 0 3 214.309 0.750 20 0 BCADHN Cc1cc(C)cc(N(C)C(=O)[C@@H]2C[C@@H](O)CN2)c1 ZINC000237072041 388388731 /nfs/dbraw/zinc/38/87/31/388388731.db2.gz FMIARSNPESCVEV-OLZOCXBDSA-N 0 3 248.326 0.989 20 0 BCADHN CC[C@H]1CN(C(=O)C(C)(C)N)C[C@H](C)O1 ZINC000237038431 388389086 /nfs/dbraw/zinc/38/90/86/388389086.db2.gz ZURCIKSGZDBBFV-IUCAKERBSA-N 0 3 214.309 0.750 20 0 BCADHN CN(C[C@@H]1CCOC1)C(=O)[C@H]1CCCCN1 ZINC000237231544 388390961 /nfs/dbraw/zinc/39/09/61/388390961.db2.gz YVJJCQDXAMMPAR-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CNCC(=O)NCCCN(C)CC(F)(F)F ZINC000237221474 388391700 /nfs/dbraw/zinc/39/17/00/388391700.db2.gz ZLKZLVNKJVNBKL-UHFFFAOYSA-N 0 3 241.257 0.206 20 0 BCADHN CN(C[C@H]1CCOC1)C(=O)[C@@H]1CCCCN1 ZINC000237240478 388391874 /nfs/dbraw/zinc/39/18/74/388391874.db2.gz YVJJCQDXAMMPAR-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](N)C(=O)Nc1nnc2ccccn21 ZINC000237320828 388393065 /nfs/dbraw/zinc/39/30/65/388393065.db2.gz JRXFDDAKWNQMGB-ZCFIWIBFSA-N 0 3 205.221 0.015 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000572952320 388397023 /nfs/dbraw/zinc/39/70/23/388397023.db2.gz DXWJRFJJOYPTCI-VXGBXAGGSA-N 0 3 238.331 0.812 20 0 BCADHN Cc1cnc([C@H](NC(=O)CN)C2CC2)s1 ZINC000237795816 388397726 /nfs/dbraw/zinc/39/77/26/388397726.db2.gz XFTAXGBHRFKLKA-SECBINFHSA-N 0 3 225.317 0.978 20 0 BCADHN O=C(N[C@H]1CC[NH2+]C1)c1ccc2n[n-]nc2c1 ZINC000646633889 388398252 /nfs/dbraw/zinc/39/82/52/388398252.db2.gz WTTUWRQKOAIPRZ-QMMMGPOBSA-N 0 3 231.259 0.050 20 0 BCADHN Cc1ccnc(NC(=O)[C@H]2C[C@H](O)CN2)c1 ZINC000237779307 388398612 /nfs/dbraw/zinc/39/86/12/388398612.db2.gz AMNSVLKSIWXPTG-DTWKUNHWSA-N 0 3 221.260 0.051 20 0 BCADHN NCC(=O)NCCCc1cccc(F)c1 ZINC000237967635 388399784 /nfs/dbraw/zinc/39/97/84/388399784.db2.gz ZGYNHWSFYCTGQB-UHFFFAOYSA-N 0 3 210.252 0.833 20 0 BCADHN CCN(C)CCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC000572973259 388401103 /nfs/dbraw/zinc/40/11/03/388401103.db2.gz RMFPTVINWDXIIV-SNVBAGLBSA-N 0 3 238.335 0.656 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@@]1(C)CCCO1 ZINC000492058743 388333362 /nfs/dbraw/zinc/33/33/62/388333362.db2.gz PZSYRSZTKXYNIS-TXNVCOODSA-N 0 3 226.320 0.790 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)/C=C\CN(C)C ZINC000492115734 388335370 /nfs/dbraw/zinc/33/53/70/388335370.db2.gz UGAUULAHALOSJC-TWHAFNCTSA-N 0 3 228.336 0.627 20 0 BCADHN CSCCN(C)C(=O)/C=C\CN(C)C ZINC000492112373 388335455 /nfs/dbraw/zinc/33/54/55/388335455.db2.gz TXGKPXSPPUFWQI-WAYWQWQTSA-N 0 3 216.350 0.926 20 0 BCADHN C[C@H](O)CCN(C)C(=O)/C=C\CN(C)C ZINC000492111500 388335482 /nfs/dbraw/zinc/33/54/82/388335482.db2.gz RJIWXJKDUKRICC-OMMCCPJFSA-N 0 3 214.309 0.334 20 0 BCADHN C[C@H](CN(C)CCO)NC(=O)OC(C)(C)C ZINC000492139859 388336269 /nfs/dbraw/zinc/33/62/69/388336269.db2.gz ZPUAAICDIFVUBC-SECBINFHSA-N 0 3 232.324 0.824 20 0 BCADHN CN(C)C/C=C\C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000492140235 388336277 /nfs/dbraw/zinc/33/62/77/388336277.db2.gz PTGWNPMMXKJLBQ-ARJAWSKDSA-N 0 3 236.275 0.170 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)/C=C\C1CCC1 ZINC000492188270 388337677 /nfs/dbraw/zinc/33/76/77/388337677.db2.gz BSCNDKNLFOQWNX-MEJMFZKBSA-N 0 3 240.347 0.772 20 0 BCADHN CSC[C@H](O)CN1CCN(C)[C@H](C)[C@H]1C ZINC000492192605 388338085 /nfs/dbraw/zinc/33/80/85/388338085.db2.gz HVYPGFRHYFJGKX-GMTAPVOTSA-N 0 3 232.393 0.735 20 0 BCADHN C[C@H](CCO)CNC(=O)/C=C/CN(C)C ZINC000492216709 388338498 /nfs/dbraw/zinc/33/84/98/388338498.db2.gz GNXBLHFQHWFXRB-ORAHPGNNSA-N 0 3 214.309 0.239 20 0 BCADHN COC[C@@H](C)CN1CCN2C(=O)OCC[C@H]2C1 ZINC000492230338 388338771 /nfs/dbraw/zinc/33/87/71/388338771.db2.gz UDVKXCPDQRKCGZ-QWRGUYRKSA-N 0 3 242.319 0.795 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCCC[C@@H]1CCO ZINC000492268039 388339866 /nfs/dbraw/zinc/33/98/66/388339866.db2.gz DCDNCPDDRHXQCQ-SMYYYNMVSA-N 0 3 240.347 0.868 20 0 BCADHN CSC[C@H](CCO)NC(=O)/C=C\CN(C)C ZINC000492273241 388339964 /nfs/dbraw/zinc/33/99/64/388339964.db2.gz OQBMRKWLRUMMEK-LWTINBJPSA-N 0 3 246.376 0.334 20 0 BCADHN CS[C@H](CO)[C@H](C)NC(=O)/C=C\CN(C)C ZINC000492275379 388340184 /nfs/dbraw/zinc/34/01/84/388340184.db2.gz SSEUUCAQGIQESH-NRAIBSHISA-N 0 3 246.376 0.333 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C\CN(C)C)[C@H](C)CN1C ZINC000492284500 388340188 /nfs/dbraw/zinc/34/01/88/388340188.db2.gz RAHSVDGSTJLTLQ-UXFRKABBSA-N 0 3 239.363 0.655 20 0 BCADHN COC(=O)CCN1CCN(C2CCC2)CC1 ZINC000336899452 388441807 /nfs/dbraw/zinc/44/18/07/388441807.db2.gz QZIWQJCVBGQQFG-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN CO[C@H]1C[C@@H](CO)N(CCn2cc(C)cn2)C1 ZINC000330548324 388443606 /nfs/dbraw/zinc/44/36/06/388443606.db2.gz QTSHLKMABJEJHZ-RYUDHWBXSA-N 0 3 239.319 0.273 20 0 BCADHN C[C@H]1CCN(CCNS(C)(=O)=O)C[C@@H](C)C1 ZINC000246587805 388444468 /nfs/dbraw/zinc/44/44/68/388444468.db2.gz GKTGQEAVUANUPG-QWRGUYRKSA-N 0 3 248.392 0.904 20 0 BCADHN Cn1cc(CNC(C)(C)CN2CCCC2)nn1 ZINC000308612290 388445194 /nfs/dbraw/zinc/44/51/94/388445194.db2.gz CQOLBBDBZXOTQU-UHFFFAOYSA-N 0 3 237.351 0.779 20 0 BCADHN CC[C@@H](C)NC(=O)CNC(C)(C)CN(C)C ZINC000308633871 388446041 /nfs/dbraw/zinc/44/60/41/388446041.db2.gz WNDZEXZGQLCDQN-SNVBAGLBSA-N 0 3 229.368 0.831 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@H]1C[C@@H]1C(F)F ZINC000393950361 388446938 /nfs/dbraw/zinc/44/69/38/388446938.db2.gz VZMKDSHISCZGKJ-ACZMJKKPSA-N 0 3 227.276 0.663 20 0 BCADHN C[C@@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000335210023 388449058 /nfs/dbraw/zinc/44/90/58/388449058.db2.gz YKYHHLZPPRLXPO-RQJHMYQMSA-N 0 3 234.346 0.762 20 0 BCADHN C[C@H](CNCCc1cscn1)S(C)(=O)=O ZINC000575248813 388449580 /nfs/dbraw/zinc/44/95/80/388449580.db2.gz VISLUZPTYBUFLN-MRVPVSSYSA-N 0 3 248.373 0.708 20 0 BCADHN CC[C@@H](NC(=O)CN(CC)CC)C(=O)OC ZINC000176194923 388450610 /nfs/dbraw/zinc/45/06/10/388450610.db2.gz NUHBCUZDYPOOPQ-SECBINFHSA-N 0 3 230.308 0.396 20 0 BCADHN O=C(c1cccnn1)N1CC[C@H](N2CCCC2)C1 ZINC000528372682 388451310 /nfs/dbraw/zinc/45/13/10/388451310.db2.gz MLPQHZYBVNLKBK-NSHDSACASA-N 0 3 246.314 0.787 20 0 BCADHN O=C(NCCNCC1(F)CC1)c1cnccn1 ZINC000525987538 388452465 /nfs/dbraw/zinc/45/24/65/388452465.db2.gz VRZXRVDONBBPSZ-UHFFFAOYSA-N 0 3 238.266 0.298 20 0 BCADHN Cn1cc(NC(=O)[C@H](N)C2CCC2)cn1 ZINC000335654012 388453074 /nfs/dbraw/zinc/45/30/74/388453074.db2.gz PAAOEDUNSUCWPR-SECBINFHSA-N 0 3 208.265 0.486 20 0 BCADHN O=C1NC(=O)[C@@]2(CCCN(CC3(F)CC3)C2)N1 ZINC000526001645 388453846 /nfs/dbraw/zinc/45/38/46/388453846.db2.gz RGLGFYDPLYNORW-NSHDSACASA-N 0 3 241.266 0.163 20 0 BCADHN CN1CCC(CC(=O)N2CCO[C@@H]3C[C@@H]32)CC1 ZINC000646749480 388455291 /nfs/dbraw/zinc/45/52/91/388455291.db2.gz CAMNGLDSIVXVHM-NWDGAFQWSA-N 0 3 238.331 0.718 20 0 BCADHN C[C@@]1(CNC(=O)[C@@H]2CCCCN2)CCOC1 ZINC000336099406 388456197 /nfs/dbraw/zinc/45/61/97/388456197.db2.gz QSHKEWAIYJZIBZ-JQWIXIFHSA-N 0 3 226.320 0.671 20 0 BCADHN CN1CCC(C(=O)N2CCO[C@H]3C[C@H]32)CC1 ZINC000646749061 388456764 /nfs/dbraw/zinc/45/67/64/388456764.db2.gz YNCLSCYSACSWAF-MNOVXSKESA-N 0 3 224.304 0.328 20 0 BCADHN COC(=O)CCN1CC[C@@H](O)C(C)(C)C1 ZINC000336658910 388460487 /nfs/dbraw/zinc/46/04/87/388460487.db2.gz BIGGGMFSODKXCO-SECBINFHSA-N 0 3 215.293 0.642 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@@H](N)CCSC ZINC000515484807 256747190 /nfs/dbraw/zinc/74/71/90/256747190.db2.gz SCFXGTOMUSPTKQ-QMMMGPOBSA-N 0 3 248.348 0.088 20 0 BCADHN CC[C@H](O)CN(C)CCOCCOC ZINC000336697817 388464636 /nfs/dbraw/zinc/46/46/36/388464636.db2.gz VAKTUZWNDPHFRN-JTQLQIEISA-N 0 3 205.298 0.352 20 0 BCADHN CC[C@@H](C)N(CCO)CC(=O)N(C)CC ZINC000336704069 388465054 /nfs/dbraw/zinc/46/50/54/388465054.db2.gz QKYVGDUSWKFPAL-SNVBAGLBSA-N 0 3 216.325 0.558 20 0 BCADHN CCCC1(C(=O)NC[C@](C)(O)CN(C)C)CC1 ZINC000336716179 388467418 /nfs/dbraw/zinc/46/74/18/388467418.db2.gz SXEINUPCFHZUIM-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN N[C@H](CC(F)F)C(=O)NCCN1CCCCC1 ZINC000336715411 388468270 /nfs/dbraw/zinc/46/82/70/388468270.db2.gz PPHSQZHNGZFCRQ-SECBINFHSA-N 0 3 249.305 0.571 20 0 BCADHN CNCCN(C)S(=O)(=O)C1(C)CC1 ZINC000515845849 388468303 /nfs/dbraw/zinc/46/83/03/388468303.db2.gz VCERRBGRRQXAMP-UHFFFAOYSA-N 0 3 206.311 0.020 20 0 BCADHN C[C@H](N[C@@H]1CCC(=O)N(C)C1=O)[C@@H]1CCCO1 ZINC000336732576 388471157 /nfs/dbraw/zinc/47/11/57/388471157.db2.gz ZSOKRZZKAPJYDO-AEJSXWLSSA-N 0 3 240.303 0.291 20 0 BCADHN COC1(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000648856981 388471742 /nfs/dbraw/zinc/47/17/42/388471742.db2.gz HUQNAEKNSIVSKO-SNVBAGLBSA-N 0 3 238.331 0.932 20 0 BCADHN CCOC[C@@H](O)CN1CCN(C2CCC2)CC1 ZINC000336893698 388472270 /nfs/dbraw/zinc/47/22/70/388472270.db2.gz LCTMRYOZKHEYKB-ZDUSSCGKSA-N 0 3 242.363 0.554 20 0 BCADHN CNC(=O)[C@H]1CCCN1C[C@@H]1CCCO1 ZINC000193973995 388473599 /nfs/dbraw/zinc/47/35/99/388473599.db2.gz YIVCNIDVESJBTD-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CN1CCC(O)(CNC(=O)OC2CCC2)CC1 ZINC000397489636 388473703 /nfs/dbraw/zinc/47/37/03/388473703.db2.gz HFCYADCVNWLNOC-UHFFFAOYSA-N 0 3 242.319 0.722 20 0 BCADHN C[C@@H]1[C@H](C(=O)N2CCC(=O)[C@H](C)C2)CCN1C ZINC000648865451 388473727 /nfs/dbraw/zinc/47/37/27/388473727.db2.gz VBEHFYFYCFVECK-GMTAPVOTSA-N 0 3 238.331 0.764 20 0 BCADHN CC[C@@H]1C[C@H](NC(=O)[C@H](C)N)CCO1 ZINC000515848521 256758277 /nfs/dbraw/zinc/75/82/77/256758277.db2.gz INQUYYNWFKAYGE-DJLDLDEBSA-N 0 3 200.282 0.407 20 0 BCADHN Cc1c(CN[C@@H]2CCO[C@@H]2C)cnn1C ZINC000134246700 388475272 /nfs/dbraw/zinc/47/52/72/388475272.db2.gz WJRFBKKLQMHUOP-MWLCHTKSSA-N 0 3 209.293 0.996 20 0 BCADHN C[C@H]1OCC[C@H]1N[C@@H]1CCCS(=O)(=O)C1 ZINC000134215152 388475372 /nfs/dbraw/zinc/47/53/72/388475372.db2.gz ZXLMQKPNDIKKTN-OPRDCNLKSA-N 0 3 233.333 0.331 20 0 BCADHN C[C@@H](NCc1nnc(-c2ccncc2)[nH]1)[C@H](C)O ZINC000516454439 388477060 /nfs/dbraw/zinc/47/70/60/388477060.db2.gz QANNVWYOMAZLPL-BDAKNGLRSA-N 0 3 247.302 0.726 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)[C@@H]1CCOC1 ZINC000134687905 388477938 /nfs/dbraw/zinc/47/79/38/388477938.db2.gz JABYSKBANMQBMD-KOLCDFICSA-N 0 3 214.309 0.751 20 0 BCADHN COC[C@](C)(O)CNC(=O)[C@H](C(C)C)N(C)C ZINC000524747815 388407105 /nfs/dbraw/zinc/40/71/05/388407105.db2.gz MMBDZLSCLGGASS-CMPLNLGQSA-N 0 3 246.351 0.086 20 0 BCADHN OC[C@@H]1CN(C/C=C\c2ccccc2)C[C@H]1O ZINC000316378290 388410854 /nfs/dbraw/zinc/41/08/54/388410854.db2.gz MLSODXLGQQJNRR-WREBYIDWSA-N 0 3 233.311 0.985 20 0 BCADHN OC[C@@H]1CN(C/C=C/c2ccccc2)C[C@@H]1O ZINC000316378289 388410886 /nfs/dbraw/zinc/41/08/86/388410886.db2.gz MLSODXLGQQJNRR-SZBGIYDQSA-N 0 3 233.311 0.985 20 0 BCADHN OC[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1O ZINC000316378288 388411251 /nfs/dbraw/zinc/41/12/51/388411251.db2.gz MLSODXLGQQJNRR-QFVHEQCKSA-N 0 3 233.311 0.985 20 0 BCADHN CC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000516624387 388412154 /nfs/dbraw/zinc/41/21/54/388412154.db2.gz UYNUPSSSAJQQIK-UHFFFAOYSA-N 0 3 234.303 0.792 20 0 BCADHN COC1(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000648822153 388413969 /nfs/dbraw/zinc/41/39/69/388413969.db2.gz MAJZUAISAZKFSH-MWLCHTKSSA-N 0 3 238.331 0.764 20 0 BCADHN COC[C@@H](C)NC(=O)[C@@H](N)C(C)(C)C ZINC000040458060 388417110 /nfs/dbraw/zinc/41/71/10/388417110.db2.gz SMKPEOVWXWZJCQ-HTQZYQBOSA-N 0 3 202.298 0.511 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@@H](C)Cn1cccn1 ZINC000296272166 388419337 /nfs/dbraw/zinc/41/93/37/388419337.db2.gz DTPSQQXDIIBVEL-VHSXEESVSA-N 0 3 236.319 0.528 20 0 BCADHN CC1CC(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000573106813 388420084 /nfs/dbraw/zinc/42/00/84/388420084.db2.gz NFCKNDGYPRFSFV-TVUZUIDESA-N 0 3 226.320 0.166 20 0 BCADHN C[C@H]1OCC[C@@]1(O)CNCc1ccns1 ZINC000404466637 388420740 /nfs/dbraw/zinc/42/07/40/388420740.db2.gz WLRSKGJZBXWZJD-PSASIEDQSA-N 0 3 228.317 0.773 20 0 BCADHN CC(C(=O)N[C@@H]1C[C@H]1C1CCC1)S(C)(=O)=O ZINC000573112067 388421151 /nfs/dbraw/zinc/42/11/51/388421151.db2.gz HPZSNOCGFZFJLS-FKTZTGRPSA-N 0 3 245.344 0.724 20 0 BCADHN CC(C)[C@H](N)c1cn(CC(=O)N(C)C)nn1 ZINC000300871777 388421860 /nfs/dbraw/zinc/42/18/60/388421860.db2.gz HRSVAOGYPUSZDT-JTQLQIEISA-N 0 3 225.296 0.022 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCN(C)CC2)[C@H]1C ZINC000245535972 388422243 /nfs/dbraw/zinc/42/22/43/388422243.db2.gz LBMSABPWOQZGLO-NEPJUHHUSA-N 0 3 239.363 0.491 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000513299521 388422411 /nfs/dbraw/zinc/42/24/11/388422411.db2.gz XBYYDQZBWUFGMT-GRYCIOLGSA-N 0 3 242.363 0.802 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC1CSC1 ZINC000648831485 388422704 /nfs/dbraw/zinc/42/27/04/388422704.db2.gz DDGUCPJBSKEASY-RKDXNWHRSA-N 0 3 203.307 0.495 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@@H]2CCCOC2)C1 ZINC000525291493 388424790 /nfs/dbraw/zinc/42/47/90/388424790.db2.gz IPLSZVDMVDMMDD-VXGBXAGGSA-N 0 3 240.347 0.871 20 0 BCADHN O=C(Cc1ccon1)N[C@H]1CCN(C2CC2)C1 ZINC000525313419 388425869 /nfs/dbraw/zinc/42/58/69/388425869.db2.gz KJJIEXYVUFYXNS-JTQLQIEISA-N 0 3 235.287 0.570 20 0 BCADHN COc1nccc(CN[C@H](CO)C(C)(C)C)n1 ZINC000297059249 388427710 /nfs/dbraw/zinc/42/77/10/388427710.db2.gz YYRUKPSSAZYBEO-SNVBAGLBSA-N 0 3 239.319 0.982 20 0 BCADHN CSCCN(C)C(=O)C1(N)CCOCC1 ZINC000166588219 388428919 /nfs/dbraw/zinc/42/89/19/388428919.db2.gz AXSORVHKDOJOPM-UHFFFAOYSA-N 0 3 232.349 0.316 20 0 BCADHN CC(=O)NCCCNCc1conc1C ZINC000339178085 388479883 /nfs/dbraw/zinc/47/98/83/388479883.db2.gz KMPXPNCIWCMXTJ-UHFFFAOYSA-N 0 3 211.265 0.599 20 0 BCADHN CC(C)[C@@H]1CCN([C@H]2CC(=O)NC2=O)C1 ZINC000573216764 388432842 /nfs/dbraw/zinc/43/28/42/388432842.db2.gz CJVWGYPYQWZZBW-BDAKNGLRSA-N 0 3 210.277 0.379 20 0 BCADHN CC(C(=O)N1CC[C@@H](C)[C@H](C)C1)S(C)(=O)=O ZINC000245852682 388433517 /nfs/dbraw/zinc/43/35/17/388433517.db2.gz DAXFEKBREVYNCD-BBBLOLIVSA-N 0 3 247.360 0.924 20 0 BCADHN COC[C@H](O)CNCCOc1cccc(F)c1 ZINC000573236759 388434910 /nfs/dbraw/zinc/43/49/10/388434910.db2.gz LAHXLUUPTNPWBZ-LLVKDONJSA-N 0 3 243.278 0.801 20 0 BCADHN CN(C(=O)CCOC1CNC1)C(C)(C)C ZINC000573251656 388436062 /nfs/dbraw/zinc/43/60/62/388436062.db2.gz AIGQOCAVGRYGEF-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@@H](C)C(N)=O)C12CCC2 ZINC000308346181 388436644 /nfs/dbraw/zinc/43/66/44/388436644.db2.gz PNBLPSIQUSCLSC-DJLDLDEBSA-N 0 3 212.293 0.407 20 0 BCADHN CO[C@@H]1C[C@H](N[C@@H]2CCN(C)C2=O)C12CCC2 ZINC000308395957 388437922 /nfs/dbraw/zinc/43/79/22/388437922.db2.gz PHAKHYFMQPLBTO-OUAUKWLOSA-N 0 3 238.331 0.764 20 0 BCADHN Cc1ccc(CN2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000298348841 388438236 /nfs/dbraw/zinc/43/82/36/388438236.db2.gz BUCZXUOWEAZRKX-ZDUSSCGKSA-N 0 3 234.299 0.417 20 0 BCADHN Cc1csc([C@@H](C)NC(=O)[C@@H](C)N)n1 ZINC000070634197 388438240 /nfs/dbraw/zinc/43/82/40/388438240.db2.gz WWTSPQILQYWKGE-RNFRBKRXSA-N 0 3 213.306 0.976 20 0 BCADHN CO[C@]1(CNCc2c(C)cnn2C)CCOC1 ZINC000352732696 388537948 /nfs/dbraw/zinc/53/79/48/388537948.db2.gz PGPUVNJOMJXBHK-LBPRGKRZSA-N 0 3 239.319 0.624 20 0 BCADHN CCN(C[C@H]1CCCN1CC)C(=O)COC ZINC000548453715 388539803 /nfs/dbraw/zinc/53/98/03/388539803.db2.gz KSSDPNODNMOLEA-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CO[C@@H](CN)C(=O)NCC1(CC(C)C)CC1 ZINC000353001368 388540573 /nfs/dbraw/zinc/54/05/73/388540573.db2.gz MZOCVQOEFCEFQW-JTQLQIEISA-N 0 3 228.336 0.903 20 0 BCADHN COCC[C@H](COC)NCc1c(C)cnn1C ZINC000353093466 388540873 /nfs/dbraw/zinc/54/08/73/388540873.db2.gz LTWAEBIGMQVEQN-LLVKDONJSA-N 0 3 241.335 0.870 20 0 BCADHN CSCC[C@@H](N)C(=O)N(C)C[C@@H]1CCOC1 ZINC000353214160 388541410 /nfs/dbraw/zinc/54/14/10/388541410.db2.gz QXSGFDOJJCVVOA-VHSXEESVSA-N 0 3 246.376 0.562 20 0 BCADHN CN(C)c1cc(NS(C)(=O)=O)ccn1 ZINC000548473870 388541936 /nfs/dbraw/zinc/54/19/36/388541936.db2.gz QPGMPDLARMSYHA-UHFFFAOYSA-N 0 3 215.278 0.519 20 0 BCADHN CN(C)c1cc([N-]S(C)(=O)=O)cc[nH+]1 ZINC000548473870 388541938 /nfs/dbraw/zinc/54/19/38/388541938.db2.gz QPGMPDLARMSYHA-UHFFFAOYSA-N 0 3 215.278 0.519 20 0 BCADHN Cc1cnccc1CN1CC[C@@H](O)[C@@H](CO)C1 ZINC000528527981 388544096 /nfs/dbraw/zinc/54/40/96/388544096.db2.gz VQLSKUKBKPNFSV-CHWSQXEVSA-N 0 3 236.315 0.565 20 0 BCADHN CC[C@H](N[C@H](COC)C1CC1)C(N)=O ZINC000136648349 388544269 /nfs/dbraw/zinc/54/42/69/388544269.db2.gz RVPVULBMRWXAOX-DTWKUNHWSA-N 0 3 200.282 0.265 20 0 BCADHN COC1(C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000648903898 388487949 /nfs/dbraw/zinc/48/79/49/388487949.db2.gz HNTCPXRBAQVQIA-QMMMGPOBSA-N 0 3 200.282 0.232 20 0 BCADHN CO[C@H](CN[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000378730174 388489278 /nfs/dbraw/zinc/48/92/78/388489278.db2.gz CVDBSJFGIAVCDK-NXEZZACHSA-N 0 3 233.333 0.188 20 0 BCADHN COC(C)(C)[C@H](C)NCC(=O)NCC1CC1 ZINC000340355304 388490279 /nfs/dbraw/zinc/49/02/79/388490279.db2.gz OXMVBOJQOJZFKV-VIFPVBQESA-N 0 3 228.336 0.916 20 0 BCADHN C[C@H](F)CCN[C@H]1CCCS(=O)(=O)C1 ZINC000340463480 388490939 /nfs/dbraw/zinc/49/09/39/388490939.db2.gz QQFDBQJOVVGBTH-IUCAKERBSA-N 0 3 223.313 0.901 20 0 BCADHN CCOCCN1CCC([C@@H](O)C(=O)OC)CC1 ZINC000135347853 388492578 /nfs/dbraw/zinc/49/25/78/388492578.db2.gz OKHBDNPFSMKTOV-LLVKDONJSA-N 0 3 245.319 0.269 20 0 BCADHN CC[C@H]1CN(CC(=O)N(C)CC)C[C@@H]1O ZINC000341018590 388493479 /nfs/dbraw/zinc/49/34/79/388493479.db2.gz WLCPGISJZNFCIJ-UWVGGRQHSA-N 0 3 214.309 0.167 20 0 BCADHN CO[C@H](CNCC(=O)NC1CC1)C1CC1 ZINC000378750981 388495212 /nfs/dbraw/zinc/49/52/12/388495212.db2.gz OPIXWXMEHYSMNI-SNVBAGLBSA-N 0 3 212.293 0.280 20 0 BCADHN Cc1cc(CC(=O)N2CCN3CCC2CC3)on1 ZINC000516574694 256794346 /nfs/dbraw/zinc/79/43/46/256794346.db2.gz ANPKYIXZVDAAAL-UHFFFAOYSA-N 0 3 249.314 0.832 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCC[C@H](CO)C1 ZINC000342270373 388497664 /nfs/dbraw/zinc/49/76/64/388497664.db2.gz QJBVAMGYYQAXBV-MNOVXSKESA-N 0 3 238.335 0.703 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397815216 388502245 /nfs/dbraw/zinc/50/22/45/388502245.db2.gz KPRLSLJNEKCVJA-JXUBOQSCSA-N 0 3 228.361 0.982 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cccnn1 ZINC000528585619 388549224 /nfs/dbraw/zinc/54/92/24/388549224.db2.gz XOQYWHNWZPFMFL-LLVKDONJSA-N 0 3 248.330 0.890 20 0 BCADHN CCCCN(C)[C@@H](C)C(=O)NCC(=O)OC ZINC000078606057 388506990 /nfs/dbraw/zinc/50/69/90/388506990.db2.gz NMPPMZHQMVOPJF-VIFPVBQESA-N 0 3 230.308 0.396 20 0 BCADHN CN1CCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC000548079057 388508580 /nfs/dbraw/zinc/50/85/80/388508580.db2.gz OVDWPMHZHTZLDJ-UHFFFAOYSA-N 0 3 236.319 0.461 20 0 BCADHN C[C@@H]1C[C@@H](C)N1C[C@H](O)Cn1cccn1 ZINC000548096782 388510362 /nfs/dbraw/zinc/51/03/62/388510362.db2.gz VPKRZFSRPJPVIU-GMTAPVOTSA-N 0 3 209.293 0.727 20 0 BCADHN CC1(CN2CCN3CCOC[C@H]3C2)CC1 ZINC000516701040 388514395 /nfs/dbraw/zinc/51/43/95/388514395.db2.gz RKBAJOBGYJDYFS-LLVKDONJSA-N 0 3 210.321 0.803 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H](C)CCC1CC1 ZINC000398146786 388516678 /nfs/dbraw/zinc/51/66/78/388516678.db2.gz DLDZZRYOBNNKHK-PSASIEDQSA-N 0 3 214.309 0.655 20 0 BCADHN CC1(C)[C@@H](O)C[C@@H]1NCC(=O)NCC1CCC1 ZINC000564341805 388516878 /nfs/dbraw/zinc/51/68/78/388516878.db2.gz DAWBSKGDISATGW-QWRGUYRKSA-N 0 3 240.347 0.652 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC(=O)CNC(C)C ZINC000516786693 388518107 /nfs/dbraw/zinc/51/81/07/388518107.db2.gz DPWWFFVZYBFZKA-SECBINFHSA-N 0 3 238.335 0.904 20 0 BCADHN CN(C[C@@H](O)CC1(O)CCC1)[C@H]1CCOC1 ZINC000528379694 388518171 /nfs/dbraw/zinc/51/81/71/388518171.db2.gz MNAIBWXIBBRKNJ-QWRGUYRKSA-N 0 3 229.320 0.373 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)CCCO ZINC000087360039 388518757 /nfs/dbraw/zinc/51/87/57/388518757.db2.gz IYNBWKNRNPSADW-UTLUCORTSA-N 0 3 216.325 0.637 20 0 BCADHN CC(=O)[C@](C)(O)CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000516864734 388520732 /nfs/dbraw/zinc/52/07/32/388520732.db2.gz FMBRQKZFOLNPSG-GRYCIOLGSA-N 0 3 227.304 0.437 20 0 BCADHN C[C@H]1COCCCN1C[C@H](O)CC1(O)CCC1 ZINC000528423698 388521961 /nfs/dbraw/zinc/52/19/61/388521961.db2.gz JTUFIVOMDVVZPB-NWDGAFQWSA-N 0 3 243.347 0.763 20 0 BCADHN O=C1CCCN1CCN1CCNC[C@H]1C(F)F ZINC000516867675 388522151 /nfs/dbraw/zinc/52/21/51/388522151.db2.gz KTFIZPDCJIIQLB-VIFPVBQESA-N 0 3 247.289 0.148 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C(=O)[C@H](N)CC(F)F ZINC000347650776 388522939 /nfs/dbraw/zinc/52/29/39/388522939.db2.gz HETHJAIWINVEDA-GJMOJQLCSA-N 0 3 236.262 0.605 20 0 BCADHN C[C@H](CNC(=O)c1cccnn1)N1CCCC1 ZINC000528427929 388523652 /nfs/dbraw/zinc/52/36/52/388523652.db2.gz AVFSKNYALPFOPW-SNVBAGLBSA-N 0 3 234.303 0.691 20 0 BCADHN COC[C@H](NC(=O)[C@@H](N)CC(F)F)C1CC1 ZINC000347674578 388524510 /nfs/dbraw/zinc/52/45/10/388524510.db2.gz SAJXPAWWAQFMGN-YUMQZZPRSA-N 0 3 236.262 0.510 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@H](CO)C1 ZINC000347851357 388524662 /nfs/dbraw/zinc/52/46/62/388524662.db2.gz VIGZIUTVHAPHDU-JTQLQIEISA-N 0 3 209.293 0.543 20 0 BCADHN OC[C@H]1C=C[C@@H](NCC2=CCCOC2)C1 ZINC000348223447 388526664 /nfs/dbraw/zinc/52/66/64/388526664.db2.gz QUEXTHDTHUKDAV-CMPLNLGQSA-N 0 3 209.289 0.860 20 0 BCADHN CCCCNC(=O)[C@@H](C)N(C)CCCCO ZINC000349937092 388529318 /nfs/dbraw/zinc/52/93/18/388529318.db2.gz RYMINKFJPMZOQO-LLVKDONJSA-N 0 3 230.352 0.996 20 0 BCADHN Cc1cc(C)n(CCN2C[C@H](O)[C@@H](C)C2)n1 ZINC000351807098 388533920 /nfs/dbraw/zinc/53/39/20/388533920.db2.gz GSYCIFFDEHBORG-CABZTGNLSA-N 0 3 223.320 0.813 20 0 BCADHN CC1(C)CN(C[C@@H](O)CC2(O)CCC2)C[C@H]1O ZINC000528485541 388534100 /nfs/dbraw/zinc/53/41/00/388534100.db2.gz RSQVONIDHUCIGP-WDEREUQCSA-N 0 3 243.347 0.355 20 0 BCADHN C[C@H](O)CCN(CC(N)=O)C1CCCC1 ZINC000649285454 388535186 /nfs/dbraw/zinc/53/51/86/388535186.db2.gz CFWBUXZBYQOZPT-VIFPVBQESA-N 0 3 214.309 0.487 20 0 BCADHN C[C@@H]1C[C@@H](C)N1CCCS(=O)(=O)N(C)C ZINC000548424266 388535561 /nfs/dbraw/zinc/53/55/61/388535561.db2.gz DDMCUUSHBIYRRK-NXEZZACHSA-N 0 3 234.365 0.751 20 0 BCADHN Cn1nncc1CN[C@@H]1CCOC1(C)C ZINC000328294318 388593511 /nfs/dbraw/zinc/59/35/11/388593511.db2.gz DHBIMOZZOXPQQD-SECBINFHSA-N 0 3 210.281 0.472 20 0 BCADHN Cn1nncc1CN[C@H]1CCOC1(C)C ZINC000328294320 388594039 /nfs/dbraw/zinc/59/40/39/388594039.db2.gz DHBIMOZZOXPQQD-VIFPVBQESA-N 0 3 210.281 0.472 20 0 BCADHN CCSCCN1C[C@H](O)C[C@H]1CO ZINC000245648856 388595204 /nfs/dbraw/zinc/59/52/04/388595204.db2.gz BWXMCPRQDGIJJM-DTWKUNHWSA-N 0 3 205.323 0.167 20 0 BCADHN CC[C@@H](C(=O)NCC12CC(C1)CO2)N(C)C ZINC000529873664 388595524 /nfs/dbraw/zinc/59/55/24/388595524.db2.gz WFSNQQFHDIYSRW-YZRBJQDESA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ncccc1OC ZINC000649312176 388598528 /nfs/dbraw/zinc/59/85/28/388598528.db2.gz WSLRFIDHYUDYFX-SSDOTTSWSA-N 0 3 209.249 0.766 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)Nc1ccc[nH]c1=O ZINC000649314233 388602754 /nfs/dbraw/zinc/60/27/54/388602754.db2.gz VIWSANOYWDGYHT-MRVPVSSYSA-N 0 3 221.260 0.724 20 0 BCADHN CCC[C@@H](C)N1CCN(CC(N)=O)CC1 ZINC000186670156 388602762 /nfs/dbraw/zinc/60/27/62/388602762.db2.gz YSZRQKQBCOWJBO-SNVBAGLBSA-N 0 3 213.325 0.278 20 0 BCADHN C[C@@H](NCC(=O)N(C)C)[C@@H]1CCCCO1 ZINC000379269038 388604206 /nfs/dbraw/zinc/60/42/06/388604206.db2.gz TYUWLZQQMMEAQQ-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN N[C@@H](C(=O)N1CCC(CCO)CC1)C1CCC1 ZINC000401052899 388605327 /nfs/dbraw/zinc/60/53/27/388605327.db2.gz UTAZJWSIURDONT-GFCCVEGCSA-N 0 3 240.347 0.735 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCCOC(C)(C)C1 ZINC000649315998 388605469 /nfs/dbraw/zinc/60/54/69/388605469.db2.gz JZMAPVDTUUSGLC-LBPRGKRZSA-N 0 3 229.320 0.827 20 0 BCADHN COCC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530025985 388605605 /nfs/dbraw/zinc/60/56/05/388605605.db2.gz JTYWMDFKZKOVMX-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN CCN(CCO)CCNC(=O)NCC1CCC1 ZINC000187146957 388606364 /nfs/dbraw/zinc/60/63/64/388606364.db2.gz HVBJIHUFSZDRDU-UHFFFAOYSA-N 0 3 243.351 0.400 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCC2COC2)C1 ZINC000530118260 388611577 /nfs/dbraw/zinc/61/15/77/388611577.db2.gz FSOBHGBYHQRIMI-SECBINFHSA-N 0 3 212.293 0.091 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)C[C@@H]1CCC[C@H]1O ZINC000246066129 388614787 /nfs/dbraw/zinc/61/47/87/388614787.db2.gz BLXXBHIXVQQMEK-OUAUKWLOSA-N 0 3 228.336 0.556 20 0 BCADHN C[C@H](O)CN[C@@]1(CO)COc2ccccc2C1 ZINC000528645900 388554934 /nfs/dbraw/zinc/55/49/34/388554934.db2.gz OYEIZPMXWNWYSJ-GWCFXTLKSA-N 0 3 237.299 0.323 20 0 BCADHN CC(C)NCC(=O)N(C)c1ccn(C)n1 ZINC000517587784 388555714 /nfs/dbraw/zinc/55/57/14/388555714.db2.gz GEMAGXPLWBTURG-UHFFFAOYSA-N 0 3 210.281 0.381 20 0 BCADHN CC(C)O[C@@]1(C)C[C@H]1NC(=O)C(C)(C)N ZINC000528659544 388556642 /nfs/dbraw/zinc/55/66/42/388556642.db2.gz FSMKTJXRHYEATC-KCJUWKMLSA-N 0 3 214.309 0.796 20 0 BCADHN CCC(C)(C)CC(=O)N1CCN(C)C[C@H]1CN ZINC000646832036 388562527 /nfs/dbraw/zinc/56/25/27/388562527.db2.gz ZZXFPOQUGXTBMD-LLVKDONJSA-N 0 3 241.379 0.914 20 0 BCADHN CO[C@@H](CNC(=O)C[C@H]1CNCCO1)C(C)C ZINC000362978295 388563007 /nfs/dbraw/zinc/56/30/07/388563007.db2.gz YQRDJAXNZCERJS-QWRGUYRKSA-N 0 3 244.335 0.152 20 0 BCADHN COCCN1CCC(C)(N2CCOCC2)CC1 ZINC000528729235 388563414 /nfs/dbraw/zinc/56/34/14/388563414.db2.gz HIAMCIQEKAKVAF-UHFFFAOYSA-N 0 3 242.363 0.820 20 0 BCADHN NC(=O)NC(=O)CCNCc1ccccc1F ZINC000548832299 388564361 /nfs/dbraw/zinc/56/43/61/388564361.db2.gz ZIGGKPMZOIKFLE-UHFFFAOYSA-N 0 3 239.250 0.500 20 0 BCADHN Cn1cc(CNCC(C)(C)OCCO)cn1 ZINC000288425161 388564678 /nfs/dbraw/zinc/56/46/78/388564678.db2.gz KERXCZHHIXWMSF-UHFFFAOYSA-N 0 3 227.308 0.297 20 0 BCADHN COC[C@H]1CCCN1CCc1cn(C)nn1 ZINC000528740878 388565026 /nfs/dbraw/zinc/56/50/26/388565026.db2.gz WCDVWAVKUIZRID-LLVKDONJSA-N 0 3 224.308 0.468 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCCS(C)(=O)=O ZINC000528750553 388566150 /nfs/dbraw/zinc/56/61/50/388566150.db2.gz GDTZFRFJIKLGQJ-RGOKHQFPSA-N 0 3 235.349 0.433 20 0 BCADHN CCOCCN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528749706 388566236 /nfs/dbraw/zinc/56/62/36/388566236.db2.gz XLMBDVLKPGMSCP-TXEJJXNPSA-N 0 3 231.336 0.336 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H](COC)C1 ZINC000081061426 388566946 /nfs/dbraw/zinc/56/69/46/388566946.db2.gz JXWRBQPZBXLNMS-MXWKQRLJSA-N 0 3 228.336 0.855 20 0 BCADHN CC(C)[C@@H](O)CN1CCN(c2ncc[nH]2)CC1 ZINC000521267533 388567021 /nfs/dbraw/zinc/56/70/21/388567021.db2.gz RSGMXJZZDSHLMQ-NSHDSACASA-N 0 3 238.335 0.549 20 0 BCADHN C[C@H](N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C(N)=O ZINC000528756024 388567465 /nfs/dbraw/zinc/56/74/65/388567465.db2.gz MHHRJHBKRUKANE-QVWMKHDWSA-N 0 3 200.282 0.262 20 0 BCADHN CNC(=O)[C@@H](NC[C@H](O)COC(C)C)C(C)C ZINC000183647882 388571221 /nfs/dbraw/zinc/57/12/21/388571221.db2.gz QEFCJWXSLCYOEO-QWRGUYRKSA-N 0 3 246.351 0.133 20 0 BCADHN CC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528781469 388572341 /nfs/dbraw/zinc/57/23/41/388572341.db2.gz JZSQIFTTWRZKRU-BQVMBELUSA-N 0 3 231.361 0.743 20 0 BCADHN CCN(CCO)CCNC(=O)COC(C)(C)C ZINC000183952869 388572507 /nfs/dbraw/zinc/57/25/07/388572507.db2.gz YUVHTDQCHVAZSL-UHFFFAOYSA-N 0 3 246.351 0.232 20 0 BCADHN CCC[C@@H](C)C(=O)NCCN(CC)CCO ZINC000183956072 388572794 /nfs/dbraw/zinc/57/27/94/388572794.db2.gz XRYJJKZZFBYXBU-LLVKDONJSA-N 0 3 230.352 0.853 20 0 BCADHN CCN(CCO)CCNC(=O)C(C)(C)CC ZINC000183991227 388573086 /nfs/dbraw/zinc/57/30/86/388573086.db2.gz GCTGFVOQMIDVSH-UHFFFAOYSA-N 0 3 230.352 0.853 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H]1CC=CCC1 ZINC000183982886 388573151 /nfs/dbraw/zinc/57/31/51/388573151.db2.gz IFSMKGZWEAVHEM-LBPRGKRZSA-N 0 3 240.347 0.773 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H]1C[C@]1(C)CC ZINC000184005447 388573304 /nfs/dbraw/zinc/57/33/04/388573304.db2.gz XZFYSNOUUDWMDF-YPMHNXCESA-N 0 3 242.363 0.853 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H](C)C1CC1 ZINC000183966817 388573735 /nfs/dbraw/zinc/57/37/35/388573735.db2.gz CYOFRMAQOBSRBQ-SNVBAGLBSA-N 0 3 228.336 0.463 20 0 BCADHN COC[C@H](O)CN1CC[C@H](OC(F)F)C1 ZINC000549410442 388578560 /nfs/dbraw/zinc/57/85/60/388578560.db2.gz CSMYDIUCXSYVJJ-SFYZADRCSA-N 0 3 225.235 0.307 20 0 BCADHN CNCCN(C)S(=O)(=O)N(C)[C@H](C)C1CC1 ZINC000517567412 388578784 /nfs/dbraw/zinc/57/87/84/388578784.db2.gz IFAAZSKXNOJDIQ-SECBINFHSA-N 0 3 249.380 0.113 20 0 BCADHN O=C([N-]c1nnc2ccccn21)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649299706 388578887 /nfs/dbraw/zinc/57/88/87/388578887.db2.gz MOMMUEAUETXIQO-HLTSFMKQSA-N 0 3 243.270 0.418 20 0 BCADHN NC1(C(=O)Nc2c[nH]ccc2=O)CCC1 ZINC000649301045 388581631 /nfs/dbraw/zinc/58/16/31/388581631.db2.gz CNJKQBOJPQCHJE-UHFFFAOYSA-N 0 3 207.233 0.195 20 0 BCADHN CCOCCNC(=O)CN1CC[C@H](CC)C1 ZINC000125174880 388669099 /nfs/dbraw/zinc/66/90/99/388669099.db2.gz LOSYHZGJOSSEHG-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN CC[C@@H]1CCN(CC(=O)NC(=O)NC2CC2)C1 ZINC000125198750 388669593 /nfs/dbraw/zinc/66/95/93/388669593.db2.gz YDJCDQLUMWZNFQ-SECBINFHSA-N 0 3 239.319 0.707 20 0 BCADHN CN1C[C@H](NCc2ccc3[nH]cnc3c2)CC1=O ZINC000538404705 388686128 /nfs/dbraw/zinc/68/61/28/388686128.db2.gz OTZRJBFNKHHSIE-SNVBAGLBSA-N 0 3 244.298 0.883 20 0 BCADHN CN1C[C@H](NCc2ccc3nc[nH]c3c2)CC1=O ZINC000538404705 388686130 /nfs/dbraw/zinc/68/61/30/388686130.db2.gz OTZRJBFNKHHSIE-SNVBAGLBSA-N 0 3 244.298 0.883 20 0 BCADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCCS2)C[C@@H]1O ZINC000552157288 388673989 /nfs/dbraw/zinc/67/39/89/388673989.db2.gz KQHIRWHXTWRFRB-GUBZILKMSA-N 0 3 244.360 0.015 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCOCC1CC1 ZINC000225402375 388678029 /nfs/dbraw/zinc/67/80/29/388678029.db2.gz SLWCPBYDMYUJLA-SNVBAGLBSA-N 0 3 214.309 0.513 20 0 BCADHN CC(C)(N)C(=O)NCCOCC1CC1 ZINC000225400489 388678661 /nfs/dbraw/zinc/67/86/61/388678661.db2.gz ZZPGMBIQXYXEPJ-UHFFFAOYSA-N 0 3 200.282 0.267 20 0 BCADHN C[C@@H]1COCC[C@@H]1C(=O)NC[C@@H]1CCCN1C ZINC000192567709 388679700 /nfs/dbraw/zinc/67/97/00/388679700.db2.gz DDIPYAHOKJHMPT-WOPDTQHZSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H]1COCC[C@@H]1C(=O)N(C)CCN(C)C ZINC000192630145 388679968 /nfs/dbraw/zinc/67/99/68/388679968.db2.gz LZCTWWNQGWRIFI-QWRGUYRKSA-N 0 3 228.336 0.679 20 0 BCADHN C[C@@H]1COCC[C@H]1C(=O)N(C)CCN(C)C ZINC000192630154 388680396 /nfs/dbraw/zinc/68/03/96/388680396.db2.gz LZCTWWNQGWRIFI-GHMZBOCLSA-N 0 3 228.336 0.679 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)CCO ZINC000125859098 388680500 /nfs/dbraw/zinc/68/05/00/388680500.db2.gz SSTGQARAKJJCTA-VIFPVBQESA-N 0 3 202.298 0.215 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1C[C@H](OC)C1(C)C ZINC000225549731 388680631 /nfs/dbraw/zinc/68/06/31/388680631.db2.gz GPQLFHJOQYPXGW-YIZRAAEISA-N 0 3 214.309 0.653 20 0 BCADHN Cn1cncc1CN[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000551220904 388623515 /nfs/dbraw/zinc/62/35/15/388623515.db2.gz LDWGRNYPKFUPSF-WCQYABFASA-N 0 3 248.330 0.567 20 0 BCADHN CN(CCNC(=O)c1nncs1)C1CC1 ZINC000530184922 388623683 /nfs/dbraw/zinc/62/36/83/388623683.db2.gz PYQMLVLRDIZJOP-UHFFFAOYSA-N 0 3 226.305 0.362 20 0 BCADHN O=C1CNC(=O)N1C[C@H]1CCN1C1CCCC1 ZINC000530208811 388626776 /nfs/dbraw/zinc/62/67/76/388626776.db2.gz IECVPZCGEFWYCE-SNVBAGLBSA-N 0 3 237.303 0.555 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1CC[C@@H](CO)C1 ZINC000246251986 388627210 /nfs/dbraw/zinc/62/72/10/388627210.db2.gz FLIPLLGHFQNAFD-WDEREUQCSA-N 0 3 228.336 0.556 20 0 BCADHN C[C@@H](NC[C@@H]1COCCN1)c1cnccn1 ZINC000530220107 388631289 /nfs/dbraw/zinc/63/12/89/388631289.db2.gz IVRKWWHTSDBUHE-NXEZZACHSA-N 0 3 222.292 0.116 20 0 BCADHN COCCCCCN1CCN(C[C@H](C)O)CC1 ZINC000189353689 388631760 /nfs/dbraw/zinc/63/17/60/388631760.db2.gz AYZSMZFGFBKNTF-ZDUSSCGKSA-N 0 3 244.379 0.802 20 0 BCADHN CN(C)C(=O)CNCc1ccc2[nH]cnc2c1 ZINC000521827491 388632329 /nfs/dbraw/zinc/63/23/29/388632329.db2.gz MCKQCOVVECDPRJ-UHFFFAOYSA-N 0 3 232.287 0.741 20 0 BCADHN CN(C)C(=O)CNCc1ccc2nc[nH]c2c1 ZINC000521827491 388632331 /nfs/dbraw/zinc/63/23/31/388632331.db2.gz MCKQCOVVECDPRJ-UHFFFAOYSA-N 0 3 232.287 0.741 20 0 BCADHN CCn1cc([C@@H](C)NC[C@H]2COCCN2)cn1 ZINC000530224357 388634038 /nfs/dbraw/zinc/63/40/38/388634038.db2.gz RCZYAVWXIZBKIA-PWSUYJOCSA-N 0 3 238.335 0.542 20 0 BCADHN CCn1cc([C@@H](C)NC[C@@H]2COCCN2)cn1 ZINC000530224359 388634175 /nfs/dbraw/zinc/63/41/75/388634175.db2.gz RCZYAVWXIZBKIA-ZYHUDNBSSA-N 0 3 238.335 0.542 20 0 BCADHN C[C@@H](CNCC12CC(C1)CO2)S(C)(=O)=O ZINC000530240533 388638026 /nfs/dbraw/zinc/63/80/26/388638026.db2.gz DGJSTPNSEHIYCU-IDKOKCKLSA-N 0 3 233.333 0.188 20 0 BCADHN COC[C@H](N[C@@H](C)C(=O)NC1CC1)C(C)C ZINC000083400002 388639566 /nfs/dbraw/zinc/63/95/66/388639566.db2.gz VGOOWKATCDMMSH-ONGXEEELSA-N 0 3 228.336 0.914 20 0 BCADHN COC[C@H](N[C@H]1CCCS(=O)(=O)C1)C(C)C ZINC000083398761 388640357 /nfs/dbraw/zinc/64/03/57/388640357.db2.gz FFNUFBSCZBTICC-QWRGUYRKSA-N 0 3 249.376 0.824 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCOC1(C)C ZINC000328374671 388641849 /nfs/dbraw/zinc/64/18/49/388641849.db2.gz JYOZVURITUBNID-NXEZZACHSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H]1NC(=O)CC[C@H]1N[C@H]1CCN(C)C1=O ZINC000328598048 388645386 /nfs/dbraw/zinc/64/53/86/388645386.db2.gz AWVIPZRYKZXSAZ-YIZRAAEISA-N 0 3 225.292 0.314 20 0 BCADHN Cc1nnc(NC(=O)[C@@H]2CCN(C)C2)n1C1CC1 ZINC000551898179 388645415 /nfs/dbraw/zinc/64/54/15/388645415.db2.gz QURWHLBLEZIIQA-SECBINFHSA-N 0 3 249.318 0.812 20 0 BCADHN C[C@@H]1OCC[C@H]1NC[C@@H]1CCCCS1(=O)=O ZINC000328612640 388645797 /nfs/dbraw/zinc/64/57/97/388645797.db2.gz PPQQLWKNMDUUEW-GARJFASQSA-N 0 3 247.360 0.721 20 0 BCADHN C[C@@H]1NC(=O)CC[C@H]1N[C@@H]1CCN(C)C1=O ZINC000328598046 388645817 /nfs/dbraw/zinc/64/58/17/388645817.db2.gz AWVIPZRYKZXSAZ-DJLDLDEBSA-N 0 3 225.292 0.314 20 0 BCADHN CN1CC=C(CNC(=O)c2cccc(=O)[nH]2)CC1 ZINC000328708983 388646166 /nfs/dbraw/zinc/64/61/66/388646166.db2.gz AISHVCOVOHARSB-UHFFFAOYSA-N 0 3 247.298 0.779 20 0 BCADHN CCOCCOCCN(C)CCOC ZINC000190251272 388648124 /nfs/dbraw/zinc/64/81/24/388648124.db2.gz JSFYMRYSCRPCGL-UHFFFAOYSA-N 0 3 205.298 0.618 20 0 BCADHN C[C@](O)(CNCC1(F)CC1)CN1CCOCC1 ZINC000530318932 388648287 /nfs/dbraw/zinc/64/82/87/388648287.db2.gz IPEIXBKUSPZJKE-NSHDSACASA-N 0 3 246.326 0.161 20 0 BCADHN CC[C@@H]1CN(C(=O)c2cnnn2C)C[C@H](C)N1 ZINC000620898116 388652173 /nfs/dbraw/zinc/65/21/73/388652173.db2.gz ODFQNEULCAOYLZ-DTWKUNHWSA-N 0 3 237.307 0.028 20 0 BCADHN CC[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H](C)N1 ZINC000620898057 388652773 /nfs/dbraw/zinc/65/27/73/388652773.db2.gz LWUHRHYWXGHZTN-VHSXEESVSA-N 0 3 228.336 0.746 20 0 BCADHN CN(C)C(=O)[C@@H]1CCCN1CCC1OCCO1 ZINC000123721804 388656403 /nfs/dbraw/zinc/65/64/03/388656403.db2.gz QXJZKESMSBFYDW-JTQLQIEISA-N 0 3 242.319 0.302 20 0 BCADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CN(C)C ZINC000247036876 388657652 /nfs/dbraw/zinc/65/76/52/388657652.db2.gz SRAKONJUVDDNTO-WDEREUQCSA-N 0 3 227.352 0.347 20 0 BCADHN CCCNC(=O)[C@H](C)N(C)C[C@H]1CCOC1 ZINC000247177687 388659661 /nfs/dbraw/zinc/65/96/61/388659661.db2.gz VRGCIYHVRSFKQI-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H](N)C(=O)NCC[C@H]1CCCCO1 ZINC000224057205 388660320 /nfs/dbraw/zinc/66/03/20/388660320.db2.gz WORSGFZEXWKIGE-ZJUUUORDSA-N 0 3 214.309 0.799 20 0 BCADHN CC(C)N(C)CC(=O)N1CCN(C(C)C)CC1 ZINC000067572959 388734893 /nfs/dbraw/zinc/73/48/93/388734893.db2.gz HERQGTFRVKEQPK-UHFFFAOYSA-N 0 3 241.379 0.879 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1ccon1 ZINC000194517522 388734975 /nfs/dbraw/zinc/73/49/75/388734975.db2.gz AXPLGYNUUILAAS-MRVPVSSYSA-N 0 3 209.249 0.499 20 0 BCADHN C[C@@H]1CN(CC2(CO)COC2)CCS1 ZINC000089124682 388736388 /nfs/dbraw/zinc/73/63/88/388736388.db2.gz CRQLEKPMUJTIKD-SECBINFHSA-N 0 3 217.334 0.433 20 0 BCADHN CCO[C@@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000194699677 388739396 /nfs/dbraw/zinc/73/93/96/388739396.db2.gz FPXQOZLOVNPZJO-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](C(=O)NC1CCN(C)CC1)N1CC(C)C1 ZINC000552883314 388739569 /nfs/dbraw/zinc/73/95/69/388739569.db2.gz XNEOBVGBUIZSHL-NSHDSACASA-N 0 3 239.363 0.537 20 0 BCADHN CCO[C@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000194699691 388739632 /nfs/dbraw/zinc/73/96/32/388739632.db2.gz FPXQOZLOVNPZJO-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN Cn1cc(CC(=O)NC[C@H]2CCCN2C)cn1 ZINC000194834305 388743931 /nfs/dbraw/zinc/74/39/31/388743931.db2.gz GJLOPKUNHGPJMN-LLVKDONJSA-N 0 3 236.319 0.173 20 0 BCADHN CO[C@H](CN)C(=O)N1CCCc2ccccc21 ZINC000227345488 388748576 /nfs/dbraw/zinc/74/85/76/388748576.db2.gz XLTHXNQBQRUGCY-GFCCVEGCSA-N 0 3 234.299 0.940 20 0 BCADHN CO[C@H](CN)C(=O)NCCC1CCCC1 ZINC000227360512 388748657 /nfs/dbraw/zinc/74/86/57/388748657.db2.gz LLYYUKIKNKAZTC-SNVBAGLBSA-N 0 3 214.309 0.657 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H](C)c1cccs1 ZINC000227349643 388748689 /nfs/dbraw/zinc/74/86/89/388748689.db2.gz QJONVRZWERODRT-HTQZYQBOSA-N 0 3 228.317 0.899 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc(C)cc1 ZINC000227345226 388748734 /nfs/dbraw/zinc/74/87/34/388748734.db2.gz MHSNDJVADUNLSO-JTQLQIEISA-N 0 3 208.261 0.907 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000227344946 388748840 /nfs/dbraw/zinc/74/88/40/388748840.db2.gz LUXPZHOHIFJOLW-KXUCPTDWSA-N 0 3 214.309 0.465 20 0 BCADHN CCC1CCN(C(=O)[C@H](CN)OC)CC1 ZINC000227368351 388748933 /nfs/dbraw/zinc/74/89/33/388748933.db2.gz ZYOBIXUTYPHKPM-JTQLQIEISA-N 0 3 214.309 0.609 20 0 BCADHN CCN(C(=O)[C@@H](CN)OC)C1CCCC1 ZINC000227349717 388748955 /nfs/dbraw/zinc/74/89/55/388748955.db2.gz SRXJLFROORJDSS-SNVBAGLBSA-N 0 3 214.309 0.751 20 0 BCADHN CO[C@H](CN)C(=O)NCC1CCCCC1 ZINC000227348366 388749131 /nfs/dbraw/zinc/74/91/31/388749131.db2.gz XBRXCPQYLUFALZ-SNVBAGLBSA-N 0 3 214.309 0.657 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)c1ccccc1 ZINC000227341798 388749177 /nfs/dbraw/zinc/74/91/77/388749177.db2.gz YISDADYMDYONHO-JTQLQIEISA-N 0 3 208.261 0.623 20 0 BCADHN C[C@@H](CO)NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000539167122 388749504 /nfs/dbraw/zinc/74/95/04/388749504.db2.gz KKWDNDDXYYDUPW-AEJSXWLSSA-N 0 3 229.324 0.149 20 0 BCADHN CO[C@H](CN)C(=O)N1CCCC(C)(C)C1 ZINC000227385153 388749877 /nfs/dbraw/zinc/74/98/77/388749877.db2.gz OSZYIJGOZQGDOJ-SECBINFHSA-N 0 3 214.309 0.609 20 0 BCADHN CCCC1(CNC(=O)[C@@H](CN)OC)CC1 ZINC000227417508 388751130 /nfs/dbraw/zinc/75/11/30/388751130.db2.gz ZEMFJPKZLUTZDO-SECBINFHSA-N 0 3 214.309 0.657 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000126097604 388688284 /nfs/dbraw/zinc/68/82/84/388688284.db2.gz AQTZYWFVUWEKQO-CIUDSAMLSA-N 0 3 249.332 0.055 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248644937 388688778 /nfs/dbraw/zinc/68/87/78/388688778.db2.gz QPRILOSCRLUOQN-GDNZZTSVSA-N 0 3 240.347 0.463 20 0 BCADHN CCCN(C(=O)[C@H](C)OC)[C@@H]1CCN(C)C1 ZINC000649000870 388689973 /nfs/dbraw/zinc/68/99/73/388689973.db2.gz FAMYQPPTVJAEHJ-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CCCN(C(=O)[C@@H]1CCOC1)[C@H]1CCN(C)C1 ZINC000649001463 388690774 /nfs/dbraw/zinc/69/07/74/388690774.db2.gz NCQKQKBGVFCHED-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CC1(C(=O)NCCCN2CCC(O)CC2)CC1 ZINC000126243008 388692119 /nfs/dbraw/zinc/69/21/19/388692119.db2.gz DGWCYIWKGHTOEQ-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN CC[C@@H](C(=O)N(C)C[C@H]1CCOC1)N(C)C ZINC000126462620 388696260 /nfs/dbraw/zinc/69/62/60/388696260.db2.gz OKZCYWATQUFUAH-MNOVXSKESA-N 0 3 228.336 0.822 20 0 BCADHN CC(C)N(C)CC(=O)NCCCCCO ZINC000193301626 388699530 /nfs/dbraw/zinc/69/95/30/388699530.db2.gz ZTIIUPJOUSOVHM-UHFFFAOYSA-N 0 3 216.325 0.605 20 0 BCADHN C[C@H](OC[C@H]1CCCO1)C(=O)NCCN(C)C ZINC000195207746 388700486 /nfs/dbraw/zinc/70/04/86/388700486.db2.gz HRDUZMLOTCBFSH-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H](O)CN(Cc1ccccn1)[C@H](C)CO ZINC000248982555 388701672 /nfs/dbraw/zinc/70/16/72/388701672.db2.gz VRMGTMYYYUMRIG-GHMZBOCLSA-N 0 3 224.304 0.645 20 0 BCADHN COCC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342487355 135281755 /nfs/dbraw/zinc/28/17/55/135281755.db2.gz CRTIQTWSJYWNSP-WPRPVWTQSA-N 0 3 212.293 0.232 20 0 BCADHN CO[C@@H]1CN([C@@H]2CCN(C)C2=O)CC[C@@H]1C ZINC000251855845 388756070 /nfs/dbraw/zinc/75/60/70/388756070.db2.gz NVKCWEIVLMEAAK-HBNTYKKESA-N 0 3 226.320 0.574 20 0 BCADHN CCN(C)S(=O)(=O)NCC1=CCN(C)CC1 ZINC000538677593 388706120 /nfs/dbraw/zinc/70/61/20/388706120.db2.gz HUEBDGRYCDUBSG-UHFFFAOYSA-N 0 3 247.364 0.034 20 0 BCADHN CC[C@H](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000552439375 388707929 /nfs/dbraw/zinc/70/79/29/388707929.db2.gz JIILEMJGOFXAFE-DCAQKATOSA-N 0 3 228.336 0.556 20 0 BCADHN CCOC[C@H]1CCN([C@H]2CCCN(C)C2=O)C1 ZINC000538709372 388708152 /nfs/dbraw/zinc/70/81/52/388708152.db2.gz XBONOPSNKQTIIW-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CCN1CCN(C[C@@H](C)CNC(=O)NC)CC1 ZINC000193585959 388709039 /nfs/dbraw/zinc/70/90/39/388709039.db2.gz RLORTWVRCDOBBY-NSHDSACASA-N 0 3 242.367 0.189 20 0 BCADHN COC[C@@H](O)CN1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000249160251 388711437 /nfs/dbraw/zinc/71/14/37/388711437.db2.gz ZQDLLNHGRPPQPT-OUAUKWLOSA-N 0 3 245.319 0.125 20 0 BCADHN CN(CCNC(N)=O)Cc1ccccc1 ZINC000193796784 388716046 /nfs/dbraw/zinc/71/60/46/388716046.db2.gz JPEYFIZBFLREBO-UHFFFAOYSA-N 0 3 207.277 0.787 20 0 BCADHN COC[C@H](CNCc1ccncc1)OC ZINC000227707177 388756501 /nfs/dbraw/zinc/75/65/01/388756501.db2.gz JETNGPFDMIECAY-NSHDSACASA-N 0 3 210.277 0.833 20 0 BCADHN COC[C@H](C)CN1C[C@@H](C)O[C@H](CO)C1 ZINC000249299290 388716577 /nfs/dbraw/zinc/71/65/77/388716577.db2.gz NIEQIJQMDHQCLU-MXWKQRLJSA-N 0 3 217.309 0.351 20 0 BCADHN CCC[C@@H]1CN(C[C@H](C)O)CCN1CCOC ZINC000249369389 388718280 /nfs/dbraw/zinc/71/82/80/388718280.db2.gz AQGZLOXRUXXAAX-QWHCGFSZSA-N 0 3 244.379 0.800 20 0 BCADHN CCOC[C@@H](O)CN1CCCOCC1 ZINC000068951131 388718276 /nfs/dbraw/zinc/71/82/76/388718276.db2.gz OXBRTZPHSSLPLS-JTQLQIEISA-N 0 3 203.282 0.106 20 0 BCADHN C[C@H]1CN(CCN2CCC[C@](C)(O)C2)CCO1 ZINC000249460501 388722542 /nfs/dbraw/zinc/72/25/42/388722542.db2.gz ZHMCDHFAOGRMGK-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN COC[C@@H](C)CN1CCN(CCO)[C@@H](C)C1 ZINC000249463575 388722752 /nfs/dbraw/zinc/72/27/52/388722752.db2.gz GEZMCBUKOCIRIR-RYUDHWBXSA-N 0 3 230.352 0.267 20 0 BCADHN CCN(C)CCNC(=O)CCSC ZINC000066959246 388725504 /nfs/dbraw/zinc/72/55/04/388725504.db2.gz UFUUXTHPYCFWRP-UHFFFAOYSA-N 0 3 204.339 0.807 20 0 BCADHN CCN(C)CCNC(=O)NCc1ccncc1 ZINC000066988390 388727166 /nfs/dbraw/zinc/72/71/66/388727166.db2.gz BFQYBNSMLHNWGN-UHFFFAOYSA-N 0 3 236.319 0.833 20 0 BCADHN CO[C@@H]1CN([C@@H](C)C(=O)N(C)C)CC[C@@H]1C ZINC000251896771 388757073 /nfs/dbraw/zinc/75/70/73/388757073.db2.gz QQUXBCMGCCXYRO-GARJFASQSA-N 0 3 228.336 0.820 20 0 BCADHN COC[C@H](C)CN1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249781615 388733309 /nfs/dbraw/zinc/73/33/09/388733309.db2.gz LIWDDDKEFYOGHU-HBNTYKKESA-N 0 3 228.336 0.855 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC000249810538 388733580 /nfs/dbraw/zinc/73/35/80/388733580.db2.gz HWCNHXWNXHBPJP-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H](CO)NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000540277924 388802402 /nfs/dbraw/zinc/80/24/02/388802402.db2.gz UFOFHKXLOSRPFQ-YWVKMMECSA-N 0 3 241.335 0.149 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCC[C@H](C)CC1 ZINC000068837915 388809610 /nfs/dbraw/zinc/80/96/10/388809610.db2.gz HVVSUBSDJHVEHI-IUCAKERBSA-N 0 3 227.308 0.692 20 0 BCADHN Cc1nn(C)cc1CNCCC[C@@H](C)O ZINC000227955268 388762462 /nfs/dbraw/zinc/76/24/62/388762462.db2.gz BYLWWERUGJFZNI-SECBINFHSA-N 0 3 211.309 0.979 20 0 BCADHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1nnnn1C ZINC000553336137 388765116 /nfs/dbraw/zinc/76/51/16/388765116.db2.gz IQVSJGAERZBROM-NXEZZACHSA-N 0 3 236.323 0.273 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCC[C@H](C)O ZINC000228035527 388765473 /nfs/dbraw/zinc/76/54/73/388765473.db2.gz BRSLJDOGJPNWQJ-ZJUUUORDSA-N 0 3 237.365 0.560 20 0 BCADHN CCNC(=O)CN(C)[C@@H]1CCCC[C@H]1O ZINC000252725471 388776507 /nfs/dbraw/zinc/77/65/07/388776507.db2.gz JJIJGTBCZAIEBG-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CCNS(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000522905704 388778369 /nfs/dbraw/zinc/77/83/69/388778369.db2.gz OOADVHMBHYWISZ-SNVBAGLBSA-N 0 3 249.380 0.114 20 0 BCADHN C[C@H](O)C1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000539811985 388779551 /nfs/dbraw/zinc/77/95/51/388779551.db2.gz SDBGZVPDGAFNFI-CMPLNLGQSA-N 0 3 240.347 0.700 20 0 BCADHN CCN1CC[C@@H](CNC(=O)[C@H]2CCC(=O)C2)C1 ZINC000648743689 388781486 /nfs/dbraw/zinc/78/14/86/388781486.db2.gz OBPKFPULZAUYFP-QWRGUYRKSA-N 0 3 238.331 0.814 20 0 BCADHN CCOC(=O)CCN1CC[C@H](O)[C@@H](C)C1 ZINC000229393001 388787721 /nfs/dbraw/zinc/78/77/21/388787721.db2.gz AEKAMVGPUDOQSN-UWVGGRQHSA-N 0 3 215.293 0.642 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1cnc(N)cn1 ZINC000230104702 388815802 /nfs/dbraw/zinc/81/58/02/388815802.db2.gz HHSMLYAIEYRCIW-VIFPVBQESA-N 0 3 249.318 0.225 20 0 BCADHN C[C@H](CO)CCCNCc1cnnn1C ZINC000230160640 388818313 /nfs/dbraw/zinc/81/83/13/388818313.db2.gz CQORQRYLJSCPMB-VIFPVBQESA-N 0 3 212.297 0.313 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000230244170 388822853 /nfs/dbraw/zinc/82/28/53/388822853.db2.gz ZIAJZNGBOFSPMB-LPEHRKFASA-N 0 3 214.309 0.607 20 0 BCADHN COC(=O)CCCNC(=O)CN1CC[C@H](C)C1 ZINC000554597669 388823422 /nfs/dbraw/zinc/82/34/22/388823422.db2.gz RTERLFMJTZVDEM-JTQLQIEISA-N 0 3 242.319 0.398 20 0 BCADHN CN(C[C@H]1CCC[C@@H]1O)[C@H]1CCCN(C)C1=O ZINC000540911227 388825786 /nfs/dbraw/zinc/82/57/86/388825786.db2.gz KIXRWLPARCOMGV-WOPDTQHZSA-N 0 3 240.347 0.700 20 0 BCADHN COCCCN(C)[C@@H]1CCCN(C)C1=O ZINC000540910966 388826978 /nfs/dbraw/zinc/82/69/78/388826978.db2.gz QKQZLTFYMKEUSH-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CC(C)OCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000554740210 388828638 /nfs/dbraw/zinc/82/86/38/388828638.db2.gz CEMCJDHEXYENMC-QWRGUYRKSA-N 0 3 217.309 0.087 20 0 BCADHN CC(C)OCCN1CC[C@H](CO)[C@H](O)C1 ZINC000554740207 388829160 /nfs/dbraw/zinc/82/91/60/388829160.db2.gz CEMCJDHEXYENMC-GHMZBOCLSA-N 0 3 217.309 0.087 20 0 BCADHN CC(C)OCCN1CC[C@H](CO)[C@@H](O)C1 ZINC000554740209 388829883 /nfs/dbraw/zinc/82/98/83/388829883.db2.gz CEMCJDHEXYENMC-MNOVXSKESA-N 0 3 217.309 0.087 20 0 BCADHN C[C@@H](O)CCN(C)CCc1ccnn1C ZINC000230887092 388832303 /nfs/dbraw/zinc/83/23/03/388832303.db2.gz ZSQBLJPWYWRUAS-SNVBAGLBSA-N 0 3 211.309 0.665 20 0 BCADHN C[C@@H](CO)N(C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000555120798 388840555 /nfs/dbraw/zinc/84/05/55/388840555.db2.gz ZNJRJOSFXBJGBA-DCAQKATOSA-N 0 3 243.351 0.491 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000153493430 388852652 /nfs/dbraw/zinc/85/26/52/388852652.db2.gz PNPYOGPZXLWXQK-NSHDSACASA-N 0 3 249.314 0.541 20 0 BCADHN COC1(C(=O)N(C)CC2CCN(C)CC2)CC1 ZINC000648769073 388855602 /nfs/dbraw/zinc/85/56/02/388855602.db2.gz GBSFXXUNLKQVPZ-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN COCCN(CCCC(=O)N(C)C)CCOC ZINC000555642603 388858753 /nfs/dbraw/zinc/85/87/53/388858753.db2.gz FOCPDSSWHQCRSB-UHFFFAOYSA-N 0 3 246.351 0.450 20 0 BCADHN COCCN(CCN(C)C)C(=O)C1(OC)CC1 ZINC000648770978 388859954 /nfs/dbraw/zinc/85/99/54/388859954.db2.gz VUERFJZTUNBIPJ-UHFFFAOYSA-N 0 3 244.335 0.202 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2cccc(=O)[nH]2)C1 ZINC000555853162 388861844 /nfs/dbraw/zinc/86/18/44/388861844.db2.gz DSGAUIIHMGIEFI-JTQLQIEISA-N 0 3 249.314 0.859 20 0 BCADHN COC[C@@H](O)CN1C[C@@H](C)S[C@@H](C)C1 ZINC000069908991 388870577 /nfs/dbraw/zinc/87/05/77/388870577.db2.gz LXJONJUVIRGRRW-AEJSXWLSSA-N 0 3 219.350 0.820 20 0 BCADHN C[C@H](O)[C@@H]1CCN([C@H]2CCCN(C)C2=O)C1 ZINC000541881055 388872308 /nfs/dbraw/zinc/87/23/08/388872308.db2.gz YXQJDTJEWBBRNJ-AXFHLTTASA-N 0 3 226.320 0.310 20 0 BCADHN C[C@H](O)[C@H]1CCN([C@H]2CCCN(C)C2=O)C1 ZINC000541881056 388872314 /nfs/dbraw/zinc/87/23/14/388872314.db2.gz YXQJDTJEWBBRNJ-DCAQKATOSA-N 0 3 226.320 0.310 20 0 BCADHN COC1(C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000648764288 388846798 /nfs/dbraw/zinc/84/67/98/388846798.db2.gz GMTKIEMIDNFJIP-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN COC1(C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000648764287 388846995 /nfs/dbraw/zinc/84/69/95/388846995.db2.gz GMTKIEMIDNFJIP-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN COC1(C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000648766344 388848108 /nfs/dbraw/zinc/84/81/08/388848108.db2.gz QDOWQNDNHUXMRK-SECBINFHSA-N 0 3 226.320 0.764 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1CCSC1 ZINC000564963774 388902613 /nfs/dbraw/zinc/90/26/13/388902613.db2.gz LJVIRFDYVGAGSS-IWSPIJDZSA-N 0 3 203.307 0.495 20 0 BCADHN CC(C)[C@H](C(=O)N1CN(C)C(=O)[C@H]1C)N(C)C ZINC000649159457 388882838 /nfs/dbraw/zinc/88/28/38/388882838.db2.gz OKLXWGGAAJFSPS-NXEZZACHSA-N 0 3 241.335 0.219 20 0 BCADHN CSC[C@@H](O)CNCCNC(=O)C(C)C ZINC000564844461 388892901 /nfs/dbraw/zinc/89/29/01/388892901.db2.gz LQJILNUHWXXDRV-VIFPVBQESA-N 0 3 234.365 0.072 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000152919000 388895533 /nfs/dbraw/zinc/89/55/33/388895533.db2.gz BFOAILUQLQYSSR-ZDCRXTMVSA-N 0 3 238.331 0.798 20 0 BCADHN COCCNC(=O)C[C@H](N)Cc1ccccc1 ZINC000564894622 388897385 /nfs/dbraw/zinc/89/73/85/388897385.db2.gz CPKWYSOFTIAZDE-GFCCVEGCSA-N 0 3 236.315 0.709 20 0 BCADHN CC(=O)NCCN(C)C[C@H](O)CC1CCCC1 ZINC000564929714 388898062 /nfs/dbraw/zinc/89/80/62/388898062.db2.gz VIXJWAXQWXORDD-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN [NH3+]CCCCC(=O)NCc1ncccc1[O-] ZINC000564936731 388898931 /nfs/dbraw/zinc/89/89/31/388898931.db2.gz QUSQMWSFXJGILN-UHFFFAOYSA-N 0 3 223.276 0.532 20 0 BCADHN CCCSCC(=O)NC[C@](C)(O)CN(C)C ZINC000152724677 388877674 /nfs/dbraw/zinc/87/76/74/388877674.db2.gz SROSHPJPCFDXKG-NSHDSACASA-N 0 3 248.392 0.558 20 0 BCADHN NCC(=O)N1CC[C@H](OCc2ccccn2)C1 ZINC000564993468 388906377 /nfs/dbraw/zinc/90/63/77/388906377.db2.gz YGYSBBUIHUURCC-NSHDSACASA-N 0 3 235.287 0.158 20 0 BCADHN C[NH+](C)[C@@H](CNc1ccncc1C(=O)[O-])C1CC1 ZINC000565038004 388910074 /nfs/dbraw/zinc/91/00/74/388910074.db2.gz HNBVQQKIGOUXEL-LBPRGKRZSA-N 0 3 249.314 0.954 20 0 BCADHN CN(CCc1cn[nH]c1)[C@@H]1CCC(=O)N(C)C1 ZINC000565171490 388921596 /nfs/dbraw/zinc/92/15/96/388921596.db2.gz MEXHBMJFVDBJEM-LLVKDONJSA-N 0 3 236.319 0.505 20 0 BCADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H](C)CN(C)C ZINC000565195815 388923884 /nfs/dbraw/zinc/92/38/84/388923884.db2.gz MKKWJKPFEMGGOM-LURJTMIESA-N 0 3 226.280 0.104 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCO[C@H](C)C2)C1 ZINC000565199324 388924848 /nfs/dbraw/zinc/92/48/48/388924848.db2.gz KJTBQGGXFSKOGW-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN CC(=O)N1CC(N[C@@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000565218234 388927094 /nfs/dbraw/zinc/92/70/94/388927094.db2.gz MGFZXPSYKKQBID-NOZJJQNGSA-N 0 3 237.347 0.289 20 0 BCADHN CN[C@@H](C)C(=O)NC1(C(=O)OC)CCCCC1 ZINC000565218723 388927373 /nfs/dbraw/zinc/92/73/73/388927373.db2.gz SAHATORAQLDYFH-VIFPVBQESA-N 0 3 242.319 0.586 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cn(C)cn2)[C@H]1C ZINC000262394778 388933725 /nfs/dbraw/zinc/93/37/25/388933725.db2.gz OTGGEKZULOESBM-BDAKNGLRSA-N 0 3 222.292 0.243 20 0 BCADHN C[C@H](c1ccccc1)[C@H](O)CNC[C@@H](O)CO ZINC000564974003 388904182 /nfs/dbraw/zinc/90/41/82/388904182.db2.gz AVJLNIKWWRALCI-RAIGVLPGSA-N 0 3 239.315 0.094 20 0 BCADHN Oc1cccnc1CN1CCN2CCOC[C@@H]2C1 ZINC000565626874 388958355 /nfs/dbraw/zinc/95/83/55/388958355.db2.gz RQMVLCOOQWEJQS-NSHDSACASA-N 0 3 249.314 0.304 20 0 BCADHN CCC(=O)Nc1cccc(CNC(=O)CNC)c1 ZINC000565659044 388959870 /nfs/dbraw/zinc/95/98/70/388959870.db2.gz FOIMTQZUDLSSQH-UHFFFAOYSA-N 0 3 249.314 0.871 20 0 BCADHN CCN(CCCC(=O)NC)Cc1cnn(C)c1 ZINC000565754048 388967309 /nfs/dbraw/zinc/96/73/09/388967309.db2.gz NDTBIROIGRSROP-UHFFFAOYSA-N 0 3 238.335 0.768 20 0 BCADHN CC(C)NCc1nc(C2(N)CCC2)no1 ZINC000565312945 388937796 /nfs/dbraw/zinc/93/77/96/388937796.db2.gz FDIOHCUIJZVQEL-UHFFFAOYSA-N 0 3 210.281 0.906 20 0 BCADHN CN(C)CCn1ccc(C(=O)N2CCCO2)n1 ZINC000565314659 388938036 /nfs/dbraw/zinc/93/80/36/388938036.db2.gz JKZBFQPWOOMTRH-UHFFFAOYSA-N 0 3 238.291 0.222 20 0 BCADHN CC[C@H](N)C(=O)NCc1nnc(C(C)C)n1C ZINC000565362078 388938684 /nfs/dbraw/zinc/93/86/84/388938684.db2.gz RQANEAHTTALOHA-QMMMGPOBSA-N 0 3 239.323 0.292 20 0 BCADHN C[C@H]1CCN(CC(=O)NC(C)(C)CC(N)=O)C1 ZINC000565372130 388940070 /nfs/dbraw/zinc/94/00/70/388940070.db2.gz JBLUGOVLKHQOTI-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C2CC2)C2COC2)C1 ZINC000565373084 388940818 /nfs/dbraw/zinc/94/08/18/388940818.db2.gz OCKHUOLSIKRSLO-SNVBAGLBSA-N 0 3 238.331 0.718 20 0 BCADHN C[C@H](O)[C@H](C)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000565594239 388955701 /nfs/dbraw/zinc/95/57/01/388955701.db2.gz RGOLFOWKSDALSG-KJPMQGKISA-N 0 3 226.320 0.355 20 0 BCADHN CC[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1O ZINC000565888748 388975712 /nfs/dbraw/zinc/97/57/12/388975712.db2.gz CTUQIUKKLVQSSM-GHMZBOCLSA-N 0 3 243.351 0.397 20 0 BCADHN COC(=O)[C@@H](CNC(=O)C(C)(C)N)CC1CC1 ZINC000565899622 388978456 /nfs/dbraw/zinc/97/84/56/388978456.db2.gz TZEXOIRZZKBMGZ-SECBINFHSA-N 0 3 242.319 0.429 20 0 BCADHN C[C@@H](CC(=O)N1CCNC[C@@H]1C)n1ccnc1 ZINC000565956579 388980610 /nfs/dbraw/zinc/98/06/10/388980610.db2.gz ARLHANYFGJVNGA-QWRGUYRKSA-N 0 3 236.319 0.655 20 0 BCADHN NC1(C(=O)N2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC000566011164 388983119 /nfs/dbraw/zinc/98/31/19/388983119.db2.gz LQNLSQQZEFOAPA-BDAKNGLRSA-N 0 3 210.277 0.115 20 0 BCADHN COC[C@](C)(CCO)NCc1c[nH]nc1C ZINC000267328689 388999134 /nfs/dbraw/zinc/99/91/34/388999134.db2.gz HHHYJOPMJPNQMI-NSHDSACASA-N 0 3 227.308 0.595 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@@](C)(O)c1cccs1 ZINC000267248327 388999433 /nfs/dbraw/zinc/99/94/33/388999433.db2.gz NRGOZSCPCRTQGV-GZMMTYOYSA-N 0 3 242.344 0.809 20 0 BCADHN CCC[C@H](N)C(=O)NCc1[nH]cnc1C ZINC000269267299 389008268 /nfs/dbraw/zinc/00/82/68/389008268.db2.gz QFAGZZNBOUUCDF-QMMMGPOBSA-N 0 3 210.281 0.462 20 0 BCADHN CC[C@@H]1CN(Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC000270914471 389015141 /nfs/dbraw/zinc/01/51/41/389015141.db2.gz OKJSTWLTFFHICB-DGCLKSJQSA-N 0 3 248.326 0.988 20 0 BCADHN C[C@@H](CC(=O)N(C)C)N[C@@H](C)c1cn[nH]c1 ZINC000271406967 389019041 /nfs/dbraw/zinc/01/90/41/389019041.db2.gz ACWUQMADKZBLID-IUCAKERBSA-N 0 3 224.308 0.927 20 0 BCADHN CSC[C@H](O)CN[C@H](C)c1cnn(C)c1 ZINC000275252131 389053415 /nfs/dbraw/zinc/05/34/15/389053415.db2.gz YSBHKNUSJJNYLD-PSASIEDQSA-N 0 3 229.349 0.795 20 0 BCADHN C[C@H](NCCn1cccn1)c1cn[nH]c1 ZINC000275144861 389054096 /nfs/dbraw/zinc/05/40/96/389054096.db2.gz FIXLQEDRPHRYGE-VIFPVBQESA-N 0 3 205.265 0.957 20 0 BCADHN C[C@@H](CNC(=O)CN)N1CCC(C)CC1 ZINC000236626621 168185292 /nfs/dbraw/zinc/18/52/92/168185292.db2.gz LCQLJNDZTMJRIA-JTQLQIEISA-N 0 3 213.325 0.182 20 0 BCADHN CO[C@H]1CCCN(C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496583605 533232136 /nfs/dbraw/zinc/23/21/36/533232136.db2.gz MYNZNEZHEDSNHJ-UWVGGRQHSA-N 0 3 228.292 0.548 20 0 BCADHN CCN(C)CCNC(=O)[C@H](CO)C(C)C ZINC000362130669 169696841 /nfs/dbraw/zinc/69/68/41/169696841.db2.gz SGWAWROBAGIUMA-SNVBAGLBSA-N 0 3 216.325 0.319 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N1C[C@H](O)C[C@H](C)C1 ZINC000401738458 533234553 /nfs/dbraw/zinc/23/45/53/533234553.db2.gz HZXXFVDBRDVREM-GARJFASQSA-N 0 3 242.363 0.992 20 0 BCADHN CO[C@H]1CC[C@H](NC(=O)N[C@@H](C)CN(C)C)C1 ZINC000502340707 533263168 /nfs/dbraw/zinc/26/31/68/533263168.db2.gz RMBRODXMTWIZSA-DCAQKATOSA-N 0 3 243.351 0.803 20 0 BCADHN C(OC1CNC1)c1nc([C@@H]2CCCO2)no1 ZINC000261977803 533373313 /nfs/dbraw/zinc/37/33/13/533373313.db2.gz IWHMWYFVAKDCIQ-QMMMGPOBSA-N 0 3 225.248 0.410 20 0 BCADHN C(OC1CNC1)c1nc([C@H]2CCCO2)no1 ZINC000261977801 533373768 /nfs/dbraw/zinc/37/37/68/533373768.db2.gz IWHMWYFVAKDCIQ-MRVPVSSYSA-N 0 3 225.248 0.410 20 0 BCADHN C[C@@H](NC[C@@H](O)Cn1cccn1)c1cn[nH]c1 ZINC000494686450 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C[C@H](C(=O)N(C)C)N1CCC[C@H](CC(N)=O)C1 ZINC000175312636 134285268 /nfs/dbraw/zinc/28/52/68/134285268.db2.gz ZGSVVFHDHIHJRS-NXEZZACHSA-N 0 3 241.335 0.051 20 0 BCADHN O=C1NCCCC[C@@H]1N1CCC[C@@H](CO)C1 ZINC000219708221 134290440 /nfs/dbraw/zinc/29/04/40/134290440.db2.gz ZYJALZVLFZZMLM-MNOVXSKESA-N 0 3 226.320 0.359 20 0 BCADHN COC[C@H](C)CNC(=O)N(C)CCN(C)C ZINC000176380681 134291462 /nfs/dbraw/zinc/29/14/62/134291462.db2.gz PLJWBSLFIVOMDB-SNVBAGLBSA-N 0 3 231.340 0.472 20 0 BCADHN CCCC[C@@H](N)C(=O)NCC(=O)N(C)CC ZINC000219848883 134292269 /nfs/dbraw/zinc/29/22/69/134292269.db2.gz BIZSQTZMRDVURL-SECBINFHSA-N 0 3 229.324 0.098 20 0 BCADHN COC(=O)CCCN1CC[C@](C)(C(=O)OC)C1 ZINC000177453829 134297988 /nfs/dbraw/zinc/29/79/88/134297988.db2.gz LDQPXZXXYWTUPN-LBPRGKRZSA-N 0 3 243.303 0.825 20 0 BCADHN COCCOCCN1CC[C@@](C)(C(=O)OC)C1 ZINC000177474823 134298549 /nfs/dbraw/zinc/29/85/49/134298549.db2.gz ZUGUKVVRVMQVIX-GFCCVEGCSA-N 0 3 245.319 0.534 20 0 BCADHN O=C1CCCCN1CC1CCN(CCO)CC1 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134359631 /nfs/dbraw/zinc/35/96/31/134359631.db2.gz WBRLVMWFGNNXDG-SECBINFHSA-N 0 3 228.336 0.781 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H](CCO)C(C)C ZINC000226341376 134360748 /nfs/dbraw/zinc/36/07/48/134360748.db2.gz IOYJLDWYOKSMCK-QWRGUYRKSA-N 0 3 230.352 0.883 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CC[C@@](C)(O)C1 ZINC000226204109 134361535 /nfs/dbraw/zinc/36/15/35/134361535.db2.gz HGWBVCHINMOWDC-GZMMTYOYSA-N 0 3 212.293 0.110 20 0 BCADHN C[C@H](O)[C@H]1CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000226473637 134363454 /nfs/dbraw/zinc/36/34/54/134363454.db2.gz ZABGKACVMMKPQQ-BIIVOSGPSA-N 0 3 227.226 0.612 20 0 BCADHN C[C@@H]1CS(=O)(=O)C[C@H]1N[C@@H]1CCCSC1 ZINC000348210001 134363605 /nfs/dbraw/zinc/36/36/05/134363605.db2.gz LOQXUTHNJXJFAR-OPRDCNLKSA-N 0 3 249.401 0.905 20 0 BCADHN NC(=O)c1ccc(CNC[C@H](O)C(F)F)cc1 ZINC000226575319 134366443 /nfs/dbraw/zinc/36/64/43/134366443.db2.gz XDAIEOJNQQQZSY-VIFPVBQESA-N 0 3 244.241 0.501 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000226703537 134370273 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ASJUIMFTZNLNMQ-UWVGGRQHSA-N 0 3 214.309 0.574 20 0 BCADHN CC(C)[C@@](C)(O)CN1CCO[C@@H](CN(C)C)C1 ZINC000248430989 135009154 /nfs/dbraw/zinc/00/91/54/135009154.db2.gz WXHWIVCTRUXBSA-STQMWFEESA-N 0 3 244.379 0.656 20 0 BCADHN C[C@H]1CCCN1CCN1C(=O)NC(C)(C)C1=O ZINC000076116074 135011126 /nfs/dbraw/zinc/01/11/26/135011126.db2.gz HSGUIJWZWQJAEO-VIFPVBQESA-N 0 3 239.319 0.801 20 0 BCADHN C[C@H]1CCCN1CC(=O)NC1CCOCC1 ZINC000076117528 135011407 /nfs/dbraw/zinc/01/14/07/135011407.db2.gz UXGSVJGNTMHPQZ-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CCOCCCNC(=O)CN(C)C(C)C ZINC000070944245 135016806 /nfs/dbraw/zinc/01/68/06/135016806.db2.gz CNRUDRINIVVDIO-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H]1C[C@H]1C1CC1 ZINC000248640208 135017183 /nfs/dbraw/zinc/01/71/83/135017183.db2.gz NHWTXZPIPHFTBC-RYUDHWBXSA-N 0 3 240.347 0.463 20 0 BCADHN O=C1NC(=O)[C@@]2(CCCN([C@@H]3C=CCCC3)C2)N1 ZINC000248674848 135019309 /nfs/dbraw/zinc/01/93/09/135019309.db2.gz IDXRHPZLFNZADJ-MFKMUULPSA-N 0 3 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/nfs/dbraw/zinc/25/92/16/135259216.db2.gz RSHCZNMSCXNWOL-RXMQYKEDSA-N 0 3 236.197 0.731 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@@H](OCc2ccncc2)C1 ZINC000261878861 135259332 /nfs/dbraw/zinc/25/93/32/135259332.db2.gz RNXDENNUMFDHFV-ZYHUDNBSSA-N 0 3 249.314 0.546 20 0 BCADHN Cc1noc(C)c1C[C@@H](C)NC(=O)[C@@H](C)N ZINC000261882542 135260092 /nfs/dbraw/zinc/26/00/92/135260092.db2.gz RXOXFSLKDMORFB-RNFRBKRXSA-N 0 3 225.292 0.686 20 0 BCADHN C[C@H](CO)NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342350706 135260829 /nfs/dbraw/zinc/26/08/29/135260829.db2.gz UFOFHKXLOSRPFQ-NGZCFLSTSA-N 0 3 241.335 0.149 20 0 BCADHN C[C@@H](N)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000261922682 135263420 /nfs/dbraw/zinc/26/34/20/135263420.db2.gz XTQWDWAAMXIFED-MRVPVSSYSA-N 0 3 222.292 0.463 20 0 BCADHN C[C@@H](N)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000261922682 135263421 /nfs/dbraw/zinc/26/34/21/135263421.db2.gz XTQWDWAAMXIFED-MRVPVSSYSA-N 0 3 222.292 0.463 20 0 BCADHN C[C@@H]1[C@H](NC(=O)N2CCOCC2)CCCN1C ZINC000342336416 135265503 /nfs/dbraw/zinc/26/55/03/135265503.db2.gz CDSLCFKWLHBBPC-GHMZBOCLSA-N 0 3 241.335 0.511 20 0 BCADHN O[C@H]1CCCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000342415902 135266855 /nfs/dbraw/zinc/26/68/55/135266855.db2.gz NYHLFYCPEIGQPZ-RWMBFGLXSA-N 0 3 240.347 0.306 20 0 BCADHN COCCN(CCOC)C(=O)[C@H](C)NC1CC1 ZINC000262015911 135272869 /nfs/dbraw/zinc/27/28/69/135272869.db2.gz VYYJLSJPCUOXHC-JTQLQIEISA-N 0 3 244.335 0.248 20 0 BCADHN CSCC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342458433 135277018 /nfs/dbraw/zinc/27/70/18/135277018.db2.gz ARYDVLHAQGXNJB-WPRPVWTQSA-N 0 3 228.361 0.948 20 0 BCADHN CO[C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000342474091 135278434 /nfs/dbraw/zinc/27/84/34/135278434.db2.gz NEIKVOVTJSIWDI-IQJOONFLSA-N 0 3 226.320 0.620 20 0 BCADHN c1cc(CN2CCNC[C@@H]2c2ccncc2)n[nH]1 ZINC000262092223 135279047 /nfs/dbraw/zinc/27/90/47/135279047.db2.gz UXCBUBDDDSEWPE-CYBMUJFWSA-N 0 3 243.314 0.951 20 0 BCADHN CC[C@@H]1CC[C@@H](C(=O)NCCNCCOC)O1 ZINC000262145351 135282184 /nfs/dbraw/zinc/28/21/84/135282184.db2.gz QIHQJDAGFRSFII-MNOVXSKESA-N 0 3 244.335 0.296 20 0 BCADHN Cc1nccn1CCN(CC(N)=O)C(C)C ZINC000342560488 135288887 /nfs/dbraw/zinc/28/88/87/135288887.db2.gz ZDTDZLLOXRRQQA-UHFFFAOYSA-N 0 3 224.308 0.387 20 0 BCADHN O=S(=O)([N-]CC1=CC[NH2+]CC1)c1ccco1 ZINC000262343549 135294460 /nfs/dbraw/zinc/29/44/60/135294460.db2.gz SZNVTCUEYGTFSU-UHFFFAOYSA-N 0 3 242.300 0.478 20 0 BCADHN C[C@H](COCC(F)(F)F)NC(=O)C(C)(C)N ZINC000262426521 135296246 /nfs/dbraw/zinc/29/62/46/135296246.db2.gz HQGXXFAGBKKCLJ-ZCFIWIBFSA-N 0 3 242.241 0.807 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H](C)c1ncon1 ZINC000262377396 135298043 /nfs/dbraw/zinc/29/80/43/135298043.db2.gz JUOCQXBZRQWZGK-OIBJUYFYSA-N 0 3 226.280 0.764 20 0 BCADHN COCCCOCC(=O)NC[C@@H](C)N(C)C ZINC000342631200 135298660 /nfs/dbraw/zinc/29/86/60/135298660.db2.gz QHKLPGQUPSZGJV-SNVBAGLBSA-N 0 3 232.324 0.106 20 0 BCADHN CN(CC[C@H]1CCCO1)[C@@H]1CCCNC1=O ZINC000342609565 135302640 /nfs/dbraw/zinc/30/26/40/135302640.db2.gz UZINMVISFVBTRY-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN CC(=O)c1ccc(C(=O)N[C@@H](C)CN)cc1 ZINC000262508314 135303036 /nfs/dbraw/zinc/30/30/36/135303036.db2.gz CDOCHNHPSLPGDC-QMMMGPOBSA-N 0 3 220.272 0.966 20 0 BCADHN CCNC(=O)CN(CC)C[C@H]1CCCOC1 ZINC000342681494 135304945 /nfs/dbraw/zinc/30/49/45/135304945.db2.gz LQKKKUADKDCAET-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)Nc1cccnc1 ZINC000342649655 135307019 /nfs/dbraw/zinc/30/70/19/135307019.db2.gz JRYUXBPNIZVGHP-VIFPVBQESA-N 0 3 237.259 0.301 20 0 BCADHN C(CCN1CCOCC1)CCN1CCOCC1 ZINC000079364018 135308979 /nfs/dbraw/zinc/30/89/79/135308979.db2.gz XZZMJRSDPRIVGX-UHFFFAOYSA-N 0 3 242.363 0.821 20 0 BCADHN CC[C@H]1C[C@@H](C)CN1C(=O)CNCCOC ZINC000262629588 135309181 /nfs/dbraw/zinc/30/91/81/135309181.db2.gz KHVJDZPEVNRJTQ-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCCNC(C)=O ZINC000262630967 135309742 /nfs/dbraw/zinc/30/97/42/135309742.db2.gz WIGJIYWZOZBBIJ-NSHDSACASA-N 0 3 229.324 0.146 20 0 BCADHN NC1(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CC1 ZINC000262643293 135311153 /nfs/dbraw/zinc/31/11/53/135311153.db2.gz SLTBBVGTOXHZCX-AEJSXWLSSA-N 0 3 224.304 0.552 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CCN[C@@H](C)C1 ZINC000262651300 135311315 /nfs/dbraw/zinc/31/13/15/135311315.db2.gz XPPKRQIIJMJSOW-NWDGAFQWSA-N 0 3 239.363 0.681 20 0 BCADHN COCCNCC(=O)N1C[C@H](C)CC1(C)C ZINC000262658442 135312325 /nfs/dbraw/zinc/31/23/25/135312325.db2.gz YAGRAAMXPNWWSA-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H](N)C(=O)NCCCCn1ccnc1C ZINC000262682935 135313133 /nfs/dbraw/zinc/31/31/33/135313133.db2.gz YWMCKKJIAKUCBE-NSHDSACASA-N 0 3 238.335 0.825 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@H](COC)C1 ZINC000262710823 135314899 /nfs/dbraw/zinc/31/48/99/135314899.db2.gz QGKVXJXUUFVKEV-AXFHLTTASA-N 0 3 244.335 0.234 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N(C)CC1CC1 ZINC000342722619 135314890 /nfs/dbraw/zinc/31/48/90/135314890.db2.gz IGRXAUBXCGTSRD-VIFPVBQESA-N 0 3 228.292 0.135 20 0 BCADHN C[C@H](N[C@@H]1CCCN(C)[C@@H]1C)C(=O)NC1CC1 ZINC000342718679 135314902 /nfs/dbraw/zinc/31/49/02/135314902.db2.gz FMDHPENJJVMGJN-HOSYDEDBSA-N 0 3 239.363 0.726 20 0 BCADHN CN(C)c1ncccc1CNC(=O)C1(N)CC1 ZINC000262703696 135315096 /nfs/dbraw/zinc/31/50/96/135315096.db2.gz KRNZKBUWHAJQRU-UHFFFAOYSA-N 0 3 234.303 0.255 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)on1 ZINC000262800117 135319082 /nfs/dbraw/zinc/31/90/82/135319082.db2.gz OYQWKFMSWQNFTA-IUCAKERBSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)on1 ZINC000262800115 135319158 /nfs/dbraw/zinc/31/91/58/135319158.db2.gz OYQWKFMSWQNFTA-BDAKNGLRSA-N 0 3 223.276 0.805 20 0 BCADHN CNC(=O)[C@H]1CCCN(CCOCCOC)C1 ZINC000079433841 135321018 /nfs/dbraw/zinc/32/10/18/135321018.db2.gz PCXCKVJFNGSAML-NSHDSACASA-N 0 3 244.335 0.107 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1CCN2CCC1CC2 ZINC000334166105 135323752 /nfs/dbraw/zinc/32/37/52/135323752.db2.gz ANMHFOMOUAMMOS-UHFFFAOYSA-N 0 3 248.330 0.567 20 0 BCADHN CN(C(=O)NC[C@@H]1CCCN1C)[C@H]1CCOC1 ZINC000334225771 135329481 /nfs/dbraw/zinc/32/94/81/135329481.db2.gz YWUTXWKTTGTIRM-QWRGUYRKSA-N 0 3 241.335 0.511 20 0 BCADHN C[C@@H]1CCC[C@@H](CO)N1CCN1CCCC1=O ZINC000305627841 135338686 /nfs/dbraw/zinc/33/86/86/135338686.db2.gz LGDRHSUSVYQVRI-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@H](CO)NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000342995011 135342900 /nfs/dbraw/zinc/34/29/00/135342900.db2.gz MGRVLZBJVQRKBE-MXWKQRLJSA-N 0 3 243.351 0.539 20 0 BCADHN CC1(C)C[C@@H]1NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343162212 135363557 /nfs/dbraw/zinc/36/35/57/135363557.db2.gz GNXVEEJBGFYTLZ-MNOVXSKESA-N 0 3 237.347 0.291 20 0 BCADHN C[C@H]1CN(C)C[C@@H]1NCc1nnc2n1CCC2 ZINC000343159242 135363609 /nfs/dbraw/zinc/36/36/09/135363609.db2.gz PDAYKZXMHXMCNP-UWVGGRQHSA-N 0 3 235.335 0.264 20 0 BCADHN COCC[C@@H](CO)NCc1c[nH]nc1C ZINC000282096413 135370876 /nfs/dbraw/zinc/37/08/76/135370876.db2.gz CWTPGGMHFJCUBU-JTQLQIEISA-N 0 3 213.281 0.205 20 0 BCADHN CC(=O)N1CCN(C[C@@H]2CCCOC2)[C@H](C)C1 ZINC000334357113 135371440 /nfs/dbraw/zinc/37/14/40/135371440.db2.gz PDBGEZFDVHWIJT-YPMHNXCESA-N 0 3 240.347 0.966 20 0 BCADHN COCC[C@@H](CO)NCc1ccccn1 ZINC000282317742 135371571 /nfs/dbraw/zinc/37/15/71/135371571.db2.gz SVELJKUEUCRNGC-NSHDSACASA-N 0 3 210.277 0.569 20 0 BCADHN COCC[C@H](CO)NCc1ccccn1 ZINC000282317740 135372141 /nfs/dbraw/zinc/37/21/41/135372141.db2.gz SVELJKUEUCRNGC-LLVKDONJSA-N 0 3 210.277 0.569 20 0 BCADHN CNC(=O)CCN1CCS[C@H](C)C1 ZINC000306497573 135373830 /nfs/dbraw/zinc/37/38/30/135373830.db2.gz BGYSLRSMWRDRCD-MRVPVSSYSA-N 0 3 202.323 0.560 20 0 BCADHN C[C@@H]1[C@H](C)N(CCn2cccn2)CCN1C ZINC000334370090 135375314 /nfs/dbraw/zinc/37/53/14/135375314.db2.gz VLCGJHARCLIUBD-NEPJUHHUSA-N 0 3 222.336 0.908 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CCCSCC1 ZINC000306734566 135378094 /nfs/dbraw/zinc/37/80/94/135378094.db2.gz UVLXPQFXLIFHDQ-DTWKUNHWSA-N 0 3 203.307 0.185 20 0 BCADHN CC(C)[C@H](C(=O)N1CCCN(C)CC1)N(C)C ZINC000334381975 135381474 /nfs/dbraw/zinc/38/14/74/135381474.db2.gz KBAGYQMDCUQXAE-GFCCVEGCSA-N 0 3 241.379 0.737 20 0 BCADHN CC(C)N(C)C(=O)CN1CC[C@@H](C)[C@H]1CO ZINC000299906933 135381617 /nfs/dbraw/zinc/38/16/17/135381617.db2.gz GDERVOZARBWIIW-GHMZBOCLSA-N 0 3 228.336 0.556 20 0 BCADHN C[C@@H]1CN(CCc2cnn(C)c2)CC[C@H]1O ZINC000299961152 135383480 /nfs/dbraw/zinc/38/34/80/135383480.db2.gz GVVLMLZUFLCTMH-ZYHUDNBSSA-N 0 3 223.320 0.665 20 0 BCADHN CCCC[C@H](N)C(=O)N1CC[C@H](COC)C1 ZINC000081062100 135385717 /nfs/dbraw/zinc/38/57/17/135385717.db2.gz YPSPUKLQZJJEFE-QWRGUYRKSA-N 0 3 228.336 0.999 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC(F)C1 ZINC000334401453 135390215 /nfs/dbraw/zinc/39/02/15/135390215.db2.gz FPNDKIRJVUCSQT-GZMMTYOYSA-N 0 3 241.310 0.832 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC(F)C1 ZINC000334401458 135390423 /nfs/dbraw/zinc/39/04/23/135390423.db2.gz FPNDKIRJVUCSQT-KCJUWKMLSA-N 0 3 241.310 0.832 20 0 BCADHN CN(CCN1CCOCC1)CC(C)(C)O ZINC000078470565 135394286 /nfs/dbraw/zinc/39/42/86/135394286.db2.gz AFDPXNXKDBGWBX-UHFFFAOYSA-N 0 3 216.325 0.021 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N(C)Cc2cc[nH]n2)C1 ZINC000335047569 135407099 /nfs/dbraw/zinc/40/70/99/135407099.db2.gz WNKKAKLNFJSLGE-KOLCDFICSA-N 0 3 236.319 0.756 20 0 BCADHN CCCCOCCN[C@H](C)CS(C)(=O)=O ZINC000081900791 135430459 /nfs/dbraw/zinc/43/04/59/135430459.db2.gz NBHFNRRSMBJLKU-SNVBAGLBSA-N 0 3 237.365 0.826 20 0 BCADHN NC1(C(=O)NCCc2cccnc2)CC1 ZINC000083834699 135457665 /nfs/dbraw/zinc/45/76/65/135457665.db2.gz VAMGUCDSEJANFU-UHFFFAOYSA-N 0 3 205.261 0.232 20 0 BCADHN C[C@H]1CCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000085619708 135486828 /nfs/dbraw/zinc/48/68/28/135486828.db2.gz AKJLHEZBFDMYBS-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN COCCCCNC(=O)CNC1CC1 ZINC000044659926 322843106 /nfs/dbraw/zinc/84/31/06/322843106.db2.gz FUACFPBKPPFUHM-UHFFFAOYSA-N 0 3 200.282 0.281 20 0 BCADHN CC(C)N(C)C(=O)N[C@H](C)CN(C)C ZINC000344892999 135805444 /nfs/dbraw/zinc/80/54/44/135805444.db2.gz 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GTTAOAMOSVLKPU-NFLHVTIKSA-N 0 3 238.331 0.845 20 0 BCADHN CCc1ccc(CN2CC[C@@H](C(N)=O)C2)cn1 ZINC000347651584 136001307 /nfs/dbraw/zinc/00/13/07/136001307.db2.gz KRVPVOGZRYDBCI-LLVKDONJSA-N 0 3 233.315 0.951 20 0 BCADHN CCN1C[C@@H](C)N(CC(=O)NC(C)C)[C@H](C)C1 ZINC000347702613 136007500 /nfs/dbraw/zinc/00/75/00/136007500.db2.gz JFDOLHIJJRKYNV-VXGBXAGGSA-N 0 3 241.379 0.926 20 0 BCADHN C[C@H](CF)NC(=O)N[C@@H]1CNCCC1(F)F ZINC000335299205 136008140 /nfs/dbraw/zinc/00/81/40/136008140.db2.gz GABWCJFTIQTPIJ-RNFRBKRXSA-N 0 3 239.241 0.641 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)CCCn1ccnc1 ZINC000347781822 136009082 /nfs/dbraw/zinc/00/90/82/136009082.db2.gz KSGGBZSZGCUTPB-GFCCVEGCSA-N 0 3 239.319 0.545 20 0 BCADHN CCN(CCO)CCNC(=O)C1(C)CCCC1 ZINC000347797326 136010290 /nfs/dbraw/zinc/01/02/90/136010290.db2.gz XSJHQLKYUCEXGH-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN COC(=O)[C@@]1(C)CCN(C[C@@](C)(O)C(C)=O)C1 ZINC000347748748 136011035 /nfs/dbraw/zinc/01/10/35/136011035.db2.gz MQVQBVRRPUHHKZ-NWDGAFQWSA-N 0 3 243.303 0.211 20 0 BCADHN CC(=O)NCC(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000347944151 136019540 /nfs/dbraw/zinc/01/95/40/136019540.db2.gz WDPFGAXKUXSHOA-NSHDSACASA-N 0 3 241.335 0.112 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CCCN2C)nc(C)n1 ZINC000348014411 136021610 /nfs/dbraw/zinc/02/16/10/136021610.db2.gz MWNGKXQCFHZRRR-NSHDSACASA-N 0 3 248.330 0.917 20 0 BCADHN C[C@](O)(CC(=O)N1CCNC(C)(C)C1)C1CC1 ZINC000335304518 136021954 /nfs/dbraw/zinc/02/19/54/136021954.db2.gz SCXUGMFBNAJQNH-ZDUSSCGKSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@H](CO)[C@H]1C ZINC000335305763 136022089 /nfs/dbraw/zinc/02/20/89/136022089.db2.gz DEWYXMPGQOBMKO-GHMZBOCLSA-N 0 3 223.320 0.931 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@H](CO)[C@@H]1C ZINC000335305766 136022431 /nfs/dbraw/zinc/02/24/31/136022431.db2.gz DEWYXMPGQOBMKO-WDEREUQCSA-N 0 3 223.320 0.931 20 0 BCADHN CC1(F)CC(NC(=O)N2CCCNCC2)C1 ZINC000335309001 136028372 /nfs/dbraw/zinc/02/83/72/136028372.db2.gz SIHNSOMNFVIJKJ-UHFFFAOYSA-N 0 3 229.299 0.882 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)[nH]n1 ZINC000335319554 136033603 /nfs/dbraw/zinc/03/36/03/136033603.db2.gz GLVNWNJVKLQIDR-NXEZZACHSA-N 0 3 236.319 0.931 20 0 BCADHN CCCN(C)CC(=O)N1CCC(C)(O)CC1 ZINC000348113867 136037700 /nfs/dbraw/zinc/03/77/00/136037700.db2.gz WWTYAQHHSGBMIU-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN CO[C@@H]1CCN(CCCNC(C)=O)C1 ZINC000348139566 136039074 /nfs/dbraw/zinc/03/90/74/136039074.db2.gz DDLWHYKCISWVSJ-SNVBAGLBSA-N 0 3 200.282 0.233 20 0 BCADHN CNC(=O)CN[C@H]1CCCC[C@H]1OC(F)F ZINC000348183957 136043882 /nfs/dbraw/zinc/04/38/82/136043882.db2.gz NOJRFYCPNKBGFM-JGVFFNPUSA-N 0 3 236.262 0.872 20 0 BCADHN C[C@@H](c1cccnc1)N1CC[C@](O)(C(N)=O)C1 ZINC000348183083 136043967 /nfs/dbraw/zinc/04/39/67/136043967.db2.gz LEWFMMGPIXGDCH-JOYOIKCWSA-N 0 3 235.287 0.065 20 0 BCADHN COCC[C@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1C ZINC000348182431 136044238 /nfs/dbraw/zinc/04/42/38/136044238.db2.gz LGSFNRHSSWVTIT-GUBZILKMSA-N 0 3 235.349 0.434 20 0 BCADHN CO[C@@H]1C[C@@H](CN(C)C(=O)C2=CCC2)N(C)C1 ZINC000348214344 136046134 /nfs/dbraw/zinc/04/61/34/136046134.db2.gz GIWYPUQIAHWMSB-NWDGAFQWSA-N 0 3 238.331 0.884 20 0 BCADHN Cn1cc(CNC[C@@H]2CC[C@@H](CO)O2)cn1 ZINC000348215190 136046314 /nfs/dbraw/zinc/04/63/14/136046314.db2.gz DUQNAQMMIISYJO-QWRGUYRKSA-N 0 3 225.292 0.050 20 0 BCADHN COC(=O)[C@@H]1CCN([C@@H]2CCOC2)C[C@H]1C ZINC000348219387 136047311 /nfs/dbraw/zinc/04/73/11/136047311.db2.gz MNARPJNUNMIMFQ-GMTAPVOTSA-N 0 3 227.304 0.906 20 0 BCADHN Cc1cnn(C)c1CN[C@@H]1C=C[C@@H](CO)C1 ZINC000348187874 136048810 /nfs/dbraw/zinc/04/88/10/136048810.db2.gz QAUQXPZMEUCESR-GHMZBOCLSA-N 0 3 221.304 0.755 20 0 BCADHN CC(C)[C@H](C(=O)N1CC(F)C1)N(C)C ZINC000335325457 136051475 /nfs/dbraw/zinc/05/14/75/136051475.db2.gz PNSGEFGZRUJWOK-SECBINFHSA-N 0 3 202.273 0.753 20 0 BCADHN C[C@H](O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000335329043 136053207 /nfs/dbraw/zinc/05/32/07/136053207.db2.gz MOWBFLSGECHGNA-QWRGUYRKSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@H]1CN(S(=O)(=O)C2CC2)C[C@H]1N(C)C ZINC000335328768 136053283 /nfs/dbraw/zinc/05/32/83/136053283.db2.gz AJOOLNYFEGGFBW-WCBMZHEXSA-N 0 3 232.349 0.361 20 0 BCADHN Cc1cn[nH]c1CN[C@H]1C=C[C@H](CO)C1 ZINC000348206760 136054823 /nfs/dbraw/zinc/05/48/23/136054823.db2.gz BOUITIIDBSZTPI-UWVGGRQHSA-N 0 3 207.277 0.745 20 0 BCADHN CN1CC[C@@]2(CCN(C(=O)Cc3ccon3)C2)C1 ZINC000335336290 136056047 /nfs/dbraw/zinc/05/60/47/136056047.db2.gz MGBZGOZVFWBLMZ-CYBMUJFWSA-N 0 3 249.314 0.771 20 0 BCADHN CC[C@H]1CN(CCC(=O)N(C)C)C[C@@H](C)O1 ZINC000348248070 136056616 /nfs/dbraw/zinc/05/66/16/136056616.db2.gz VSQRISYPFNPVBD-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN Cc1cnn(C)c1CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000348261869 136058026 /nfs/dbraw/zinc/05/80/26/136058026.db2.gz NCGBQHNVKDNMOF-DMDPSCGWSA-N 0 3 235.331 0.931 20 0 BCADHN CNC(=O)CC1CCN([C@@H]2CCOC2)CC1 ZINC000348273275 136058594 /nfs/dbraw/zinc/05/85/94/136058594.db2.gz DELNQMWNIWXCKJ-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(Cc2cncn2C)C1 ZINC000166110158 136063291 /nfs/dbraw/zinc/06/32/91/136063291.db2.gz DHGKFDPDGADBQK-NXEZZACHSA-N 0 3 209.293 0.623 20 0 BCADHN C[C@]1(F)CNCCN(C(=O)C2(N)CCC2)C1 ZINC000335341543 136064254 /nfs/dbraw/zinc/06/42/54/136064254.db2.gz LJQJHARCHUBGEX-JTQLQIEISA-N 0 3 229.299 0.028 20 0 BCADHN CN(C)C(=O)CCN1CCC[C@@H]2COCC[C@@H]21 ZINC000335347588 136067038 /nfs/dbraw/zinc/06/70/38/136067038.db2.gz HEGRDDCUHDWSTH-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(C(=O)C(C)S(C)(=O)=O)C1CCC1 ZINC000348315474 136067749 /nfs/dbraw/zinc/06/77/49/136067749.db2.gz QKMGEAXNBOWZOI-MRVPVSSYSA-N 0 3 233.333 0.821 20 0 BCADHN COC(=O)c1cc(CNCCCCO)cn1C ZINC000348364457 136073131 /nfs/dbraw/zinc/07/31/31/136073131.db2.gz YDWHFPQHSFJEIS-UHFFFAOYSA-N 0 3 240.303 0.674 20 0 BCADHN NC1(C(=O)N[C@H]2CCCc3c[nH]nc32)CCC1 ZINC000335369264 136082658 /nfs/dbraw/zinc/08/26/58/136082658.db2.gz VTAHGTMDELDHPH-VIFPVBQESA-N 0 3 234.303 0.785 20 0 BCADHN C[C@H]1C[C@H](C)N1Cc1cn(C)c(=O)n(C)c1=O ZINC000335370235 136082917 /nfs/dbraw/zinc/08/29/17/136082917.db2.gz XETATLYQFSRWDP-IUCAKERBSA-N 0 3 237.303 0.067 20 0 BCADHN Cc1c[nH]c(NC(=O)C[C@H]2CSCCN2)n1 ZINC000335369757 136082937 /nfs/dbraw/zinc/08/29/37/136082937.db2.gz YCOKZPBUXQPUDA-QMMMGPOBSA-N 0 3 240.332 0.752 20 0 BCADHN CC[C@H](C(=O)OC)N1CCCN(CC)CC1 ZINC000348509948 136083578 /nfs/dbraw/zinc/08/35/78/136083578.db2.gz NWXAYOMXWFKXTL-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC[C@@H](C(=O)OC)N1CCCN(CC)CC1 ZINC000348509950 136083610 /nfs/dbraw/zinc/08/36/10/136083610.db2.gz NWXAYOMXWFKXTL-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN COC1CN(C(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000335384027 136088278 /nfs/dbraw/zinc/08/82/78/136088278.db2.gz XQPSECORYGYIAG-AOOOYVTPSA-N 0 3 226.320 0.716 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C2(O)CCCC2)CCN1C ZINC000335388221 136089690 /nfs/dbraw/zinc/08/96/90/136089690.db2.gz LJYQKQKFHKORBC-WDEREUQCSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C2(O)CCCC2)CCN1C ZINC000335388220 136089843 /nfs/dbraw/zinc/08/98/43/136089843.db2.gz LJYQKQKFHKORBC-QWRGUYRKSA-N 0 3 240.347 0.890 20 0 BCADHN CCc1nc(C(=O)N2CCCNCC2)co1 ZINC000335388897 136090242 /nfs/dbraw/zinc/09/02/42/136090242.db2.gz GNTKAXFMZBNDDZ-UHFFFAOYSA-N 0 3 223.276 0.673 20 0 BCADHN CC(C)c1n[nH]cc1C(=O)N1CCCNCC1 ZINC000335390125 136090359 /nfs/dbraw/zinc/09/03/59/136090359.db2.gz MMDOTPBSGVZHPE-UHFFFAOYSA-N 0 3 236.319 0.969 20 0 BCADHN O=C1NC(=O)[C@@H]2CN(Cc3ccccc3F)C[C@H]12 ZINC000335390605 136090408 /nfs/dbraw/zinc/09/04/08/136090408.db2.gz BMWIJMCVVRRSNG-AOOOYVTPSA-N 0 3 248.257 0.530 20 0 BCADHN N[C@@H](C(=O)N1CC[C@@]2(CCOC2)C1)C1CCC1 ZINC000335364517 136094864 /nfs/dbraw/zinc/09/48/64/136094864.db2.gz JVFSBNOIFQHDQM-DGCLKSJQSA-N 0 3 238.331 0.753 20 0 BCADHN C[C@H]1CCCN(CCS(=O)(=O)N(C)C)C1 ZINC000335555833 136099631 /nfs/dbraw/zinc/09/96/31/136099631.db2.gz AIWJDAJSSVYYDL-JTQLQIEISA-N 0 3 234.365 0.610 20 0 BCADHN CC(C)[C@H](C(=O)NCCC(=O)N(C)C)N(C)C ZINC000348577547 136100453 /nfs/dbraw/zinc/10/04/53/136100453.db2.gz LZSNBMXGRPTJRK-LLVKDONJSA-N 0 3 243.351 0.167 20 0 BCADHN Cc1ccc(CN2C[C@H](O)[C@H](CO)C2)s1 ZINC000335585788 136101743 /nfs/dbraw/zinc/10/17/43/136101743.db2.gz YHGHRMQOATUHQA-ONGXEEELSA-N 0 3 227.329 0.842 20 0 BCADHN Cc1ccc(CN2C[C@H](O)[C@@H](CO)C2)s1 ZINC000335585786 136101826 /nfs/dbraw/zinc/10/18/26/136101826.db2.gz YHGHRMQOATUHQA-KOLCDFICSA-N 0 3 227.329 0.842 20 0 BCADHN CNCC(=O)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000335592318 136103557 /nfs/dbraw/zinc/10/35/57/136103557.db2.gz RCSZHWMZBDSBRE-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN CN(CC[C@@H]1CCOC1)[C@@H]1COC[C@@H]1O ZINC000348631485 136105245 /nfs/dbraw/zinc/10/52/45/136105245.db2.gz DLVSTRWUKWZJFA-MXWKQRLJSA-N 0 3 215.293 0.105 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N1CCCC[C@@H](C)C1 ZINC000335595957 136104546 /nfs/dbraw/zinc/10/45/46/136104546.db2.gz KYERWYLREVDUFV-NXEZZACHSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N1CCCCC[C@H]1C ZINC000335596634 136105237 /nfs/dbraw/zinc/10/52/37/136105237.db2.gz USJVTQHGKZCDIO-NXEZZACHSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@H]1CCCCN1CCN1CCNC1=O ZINC000335569256 136108682 /nfs/dbraw/zinc/10/86/82/136108682.db2.gz HTHDHMHPYGJLDK-JTQLQIEISA-N 0 3 211.309 0.886 20 0 BCADHN COCC(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000335568949 136108836 /nfs/dbraw/zinc/10/88/36/136108836.db2.gz HYCODZZYWWXPOI-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN COCCOC[C@@H](C)NC(=O)[C@@H]1NCC1(C)C ZINC000644041125 397753851 /nfs/dbraw/zinc/75/38/51/397753851.db2.gz MTSOWJBBTNVUFU-ZJUUUORDSA-N 0 3 244.335 0.152 20 0 BCADHN CN(C)CCNC(=O)CCc1ccoc1 ZINC000175560269 397773030 /nfs/dbraw/zinc/77/30/30/397773030.db2.gz SVTOSJKABTUDGU-UHFFFAOYSA-N 0 3 210.277 0.890 20 0 BCADHN O=C(NCc1nc2cccnc2[n-]1)[C@@H]1CCC[NH2+]1 ZINC000083908992 322861338 /nfs/dbraw/zinc/86/13/38/322861338.db2.gz MHJYUIBRPQHMRJ-VIFPVBQESA-N 0 3 245.286 0.326 20 0 BCADHN CCN1C[C@@H](C)N(Cc2nnnn2C)C[C@@H]1C ZINC000408048032 397840425 /nfs/dbraw/zinc/84/04/25/397840425.db2.gz UTYQFAWDHPFSCO-VHSXEESVSA-N 0 3 238.339 0.125 20 0 BCADHN CN(CC(F)F)C[C@H](O)CN(C)C1CC1 ZINC000309101584 397851209 /nfs/dbraw/zinc/85/12/09/397851209.db2.gz JLVJPPVAKKUXPW-VIFPVBQESA-N 0 3 222.279 0.638 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@H]1CC[C@H](O)C1)N(C)C ZINC000356630633 397934586 /nfs/dbraw/zinc/93/45/86/397934586.db2.gz XMBCDRVFKHIGHN-SDDRHHMPSA-N 0 3 242.363 0.850 20 0 BCADHN CO[C@@H]1CN(CCCOC(C)(C)C)C[C@H]1O ZINC000650122395 397935262 /nfs/dbraw/zinc/93/52/62/397935262.db2.gz FGHUHNGDYWBSLJ-GHMZBOCLSA-N 0 3 231.336 0.883 20 0 BCADHN CCN(C[C@@H]1CCOC1)C(=O)[C@@H](C)N ZINC000037827226 397965640 /nfs/dbraw/zinc/96/56/40/397965640.db2.gz XSSXAWODMPJHKH-BDAKNGLRSA-N 0 3 200.282 0.219 20 0 BCADHN CN(C)CCN(C)c1ncnc2c1cnn2C ZINC000266984174 397942628 /nfs/dbraw/zinc/94/26/28/397942628.db2.gz AJMJYLNJRIJTAI-UHFFFAOYSA-N 0 3 234.307 0.361 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N(C)CCC(C)(C)C ZINC000592144933 397945801 /nfs/dbraw/zinc/94/58/01/397945801.db2.gz QHFUZGXKEDUYBJ-QMMMGPOBSA-N 0 3 229.324 0.938 20 0 BCADHN CCC[C@H](CN[C@@H](C)C(=O)N(C)C)OC ZINC000382407684 397946802 /nfs/dbraw/zinc/94/68/02/397946802.db2.gz SNJFTONGWMPDBU-VHSXEESVSA-N 0 3 216.325 0.868 20 0 BCADHN C[C@@](O)(C(=O)NCCN1CCCC1)C1CC1 ZINC000359094553 397948856 /nfs/dbraw/zinc/94/88/56/397948856.db2.gz MTHQDKVCXYEEET-LBPRGKRZSA-N 0 3 226.320 0.359 20 0 BCADHN Cn1cc(CNC[C@H](CO)[C@H]2CCOC2)cn1 ZINC000360783927 397967060 /nfs/dbraw/zinc/96/70/60/397967060.db2.gz XGFCGBCFPSSZQL-NWDGAFQWSA-N 0 3 239.319 0.155 20 0 BCADHN C[C@@H]1COCCCN1C[C@@H]1CCC(=O)N1 ZINC000649566495 397956936 /nfs/dbraw/zinc/95/69/36/397956936.db2.gz MIANPDYXMDKLBS-ZJUUUORDSA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](CO)C1CC1)N(C)C ZINC000359777576 397956944 /nfs/dbraw/zinc/95/69/44/397956944.db2.gz ISTNCACZFZJLHF-QWRGUYRKSA-N 0 3 228.336 0.461 20 0 BCADHN CN(C[C@@H]1CCC(=O)N1)[C@@H]1CCSC1 ZINC000649568367 397957210 /nfs/dbraw/zinc/95/72/10/397957210.db2.gz YSCDEIGUAUXKCJ-DTWKUNHWSA-N 0 3 214.334 0.702 20 0 BCADHN Cc1nc(N)nc(NC[C@H]2CCCN(C)C2)n1 ZINC000302637282 397957532 /nfs/dbraw/zinc/95/75/32/397957532.db2.gz RZENCPAGIVGUTP-SECBINFHSA-N 0 3 236.323 0.516 20 0 BCADHN O=C1CC[C@@H](CN2CC[C@@H](C(F)F)C2)N1 ZINC000649570953 397960873 /nfs/dbraw/zinc/96/08/73/397960873.db2.gz UCGBTXYGNDYHBE-SFYZADRCSA-N 0 3 218.247 0.852 20 0 BCADHN CCC1(CO)CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000649571589 397961767 /nfs/dbraw/zinc/96/17/67/397961767.db2.gz PMSHYSXGMCHAAU-NSHDSACASA-N 0 3 240.347 0.750 20 0 BCADHN COC(=O)CCNC(=O)CN(C)CC1CCC1 ZINC000111296701 397907562 /nfs/dbraw/zinc/90/75/62/397907562.db2.gz ICGPXDZSRNHDFI-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)CO1 ZINC000644810480 397908324 /nfs/dbraw/zinc/90/83/24/397908324.db2.gz BXSGDLRRISVNOC-WYUUTHIRSA-N 0 3 238.331 0.574 20 0 BCADHN CN(CCn1cccn1)C[C@@H]1CCC(=O)N1 ZINC000649528748 397921661 /nfs/dbraw/zinc/92/16/61/397921661.db2.gz SGRWFKHGMWMXQR-JTQLQIEISA-N 0 3 222.292 0.094 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1C[C@@H]1CCC(=O)N1 ZINC000649572738 397964184 /nfs/dbraw/zinc/96/41/84/397964184.db2.gz HMHKSMIZSKBROX-AXFHLTTASA-N 0 3 225.336 0.289 20 0 BCADHN O=C1CC[C@@H](CN2CCN(C3CCC3)CC2)N1 ZINC000649530602 397922907 /nfs/dbraw/zinc/92/29/07/397922907.db2.gz ALMQSDBKATYXHZ-NSHDSACASA-N 0 3 237.347 0.435 20 0 BCADHN CCc1noc(NC(=O)N[C@@H](C)CN(C)C)n1 ZINC000455590859 397990247 /nfs/dbraw/zinc/99/02/47/397990247.db2.gz RTESLRGSDZPHOO-ZETCQYMHSA-N 0 3 241.295 0.126 20 0 BCADHN COC(=O)CCN1CCN(C)C[C@@H]1C(C)C ZINC000261020855 397990539 /nfs/dbraw/zinc/99/05/39/397990539.db2.gz DBGLDWZEUNSWBN-LLVKDONJSA-N 0 3 228.336 0.822 20 0 BCADHN O=S1(=O)CCC[C@H]1CNCC1(O)CCCC1 ZINC000087971299 397993554 /nfs/dbraw/zinc/99/35/54/397993554.db2.gz CLPOWWXEJKDZQC-JTQLQIEISA-N 0 3 247.360 0.458 20 0 BCADHN O=C1CC[C@@H](CN2CC[C@@H](n3cccn3)C2)N1 ZINC000649615456 397998279 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200.282 0.265 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1Cc1ncccc1C ZINC000649745037 398082913 /nfs/dbraw/zinc/08/29/13/398082913.db2.gz YKEGNNGONYESMH-NWDGAFQWSA-N 0 3 236.315 0.972 20 0 BCADHN CCN(CC)CC(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000646748983 398087050 /nfs/dbraw/zinc/08/70/50/398087050.db2.gz XRUAZIWORWWCSR-VHSXEESVSA-N 0 3 212.293 0.328 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2nccnc2N)CCN1C ZINC000408226447 398087331 /nfs/dbraw/zinc/08/73/31/398087331.db2.gz NOARICJQUUCMPA-RKDXNWHRSA-N 0 3 249.318 0.271 20 0 BCADHN Cn1ccnc1CNCCc1cn[nH]c1 ZINC000336738802 398087756 /nfs/dbraw/zinc/08/77/56/398087756.db2.gz RONKEJUWICFSTK-UHFFFAOYSA-N 0 3 205.265 0.476 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1CCc1cnn(C)c1 ZINC000649762504 398090561 /nfs/dbraw/zinc/09/05/61/398090561.db2.gz MZQRVOPVZAMELO-VXGBXAGGSA-N 0 3 239.319 0.044 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC([C@@H](C)O)CC1 ZINC000234578801 398051782 /nfs/dbraw/zinc/05/17/82/398051782.db2.gz QSDNNMICDJOFHR-SKDRFNHKSA-N 0 3 245.319 0.003 20 0 BCADHN CC[C@@H](C(=O)N(C)Cc1nnc(C)o1)N(C)C ZINC000618065905 398053592 /nfs/dbraw/zinc/05/35/92/398053592.db2.gz FEFONEHMUZPCFI-VIFPVBQESA-N 0 3 240.307 0.677 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2(N)CCCC2)[C@@H](C)O1 ZINC000384617838 398099640 /nfs/dbraw/zinc/09/96/40/398099640.db2.gz PPLYJGCLKIHHMO-OPRDCNLKSA-N 0 3 226.320 0.940 20 0 BCADHN CC(C)[C@H]1CNCCN1C(=O)CNC1CC1 ZINC000638490001 398100911 /nfs/dbraw/zinc/10/09/11/398100911.db2.gz SLKVSKOKDJLEHI-LLVKDONJSA-N 0 3 225.336 0.195 20 0 BCADHN C[C@@H](CO)C1CCN(C[C@@H]2COCCO2)CC1 ZINC000649797508 398105973 /nfs/dbraw/zinc/10/59/73/398105973.db2.gz BUUQLXGCBRUCCS-WCQYABFASA-N 0 3 243.347 0.742 20 0 BCADHN C[C@@H](CO)C1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000649798130 398106774 /nfs/dbraw/zinc/10/67/74/398106774.db2.gz QKMQKONPPCLZKA-JQWIXIFHSA-N 0 3 240.347 0.605 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCNc1ccccn1 ZINC000292646293 398107758 /nfs/dbraw/zinc/10/77/58/398107758.db2.gz ZWTHUOKWVIXULJ-LLVKDONJSA-N 0 3 236.319 0.593 20 0 BCADHN CC(C)(CC(N)=O)NC[C@H](O)C(F)(F)F ZINC000122198594 398097303 /nfs/dbraw/zinc/09/73/03/398097303.db2.gz IMYYAXYKKCEORT-YFKPBYRVSA-N 0 3 228.214 0.153 20 0 BCADHN CC[C@H](C(N)=O)N(C)CC1(O)CCC1 ZINC000353508544 171242342 /nfs/dbraw/zinc/24/23/42/171242342.db2.gz GNCHLTOJGDDEOF-MRVPVSSYSA-N 0 3 200.282 0.097 20 0 BCADHN CC[C@@H](N)c1cn(CCC[C@H](C)O)nn1 ZINC000389683467 398121531 /nfs/dbraw/zinc/12/15/31/398121531.db2.gz FUXQUHBBOHYOGX-DTWKUNHWSA-N 0 3 212.297 0.849 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H](C)CC(=O)OC ZINC000236918338 398117673 /nfs/dbraw/zinc/11/76/73/398117673.db2.gz OWTLFBYMZYXTCY-SFYZADRCSA-N 0 3 216.281 0.182 20 0 BCADHN C[C@H](N[C@@H]1CCS(=O)(=O)[C@@H]1C)[C@H]1CCCO1 ZINC000309817014 398121713 /nfs/dbraw/zinc/12/17/13/398121713.db2.gz BOFONCGYIWZTMD-LNFKQOIKSA-N 0 3 247.360 0.719 20 0 BCADHN COC(=O)[C@@H]1CN(Cc2c[nH]nc2C)C[C@H]1C ZINC000093763409 398109371 /nfs/dbraw/zinc/10/93/71/398109371.db2.gz CSMQYZHDDZXCPP-LDYMZIIASA-N 0 3 237.303 0.959 20 0 BCADHN NC(=O)c1cc(NC(=O)[C@H]2CCN2)ccc1F ZINC000384839485 398111148 /nfs/dbraw/zinc/11/11/48/398111148.db2.gz SBQZAQQLOJRMIF-SECBINFHSA-N 0 3 237.234 0.225 20 0 BCADHN COc1ccc(CN[C@@H](C)[C@@H](C)O)nc1 ZINC000514668469 398130247 /nfs/dbraw/zinc/13/02/47/398130247.db2.gz DRGZTLQTWDNSKR-DTWKUNHWSA-N 0 3 210.277 0.949 20 0 BCADHN CN(C)CCNc1ccccc1S(N)(=O)=O ZINC000035353359 398131333 /nfs/dbraw/zinc/13/13/33/398131333.db2.gz OXCUTADLOPISHP-UHFFFAOYSA-N 0 3 243.332 0.308 20 0 BCADHN CC[C@H](O)CN1CCC([C@H](O)C(=O)OC)CC1 ZINC000135376585 398133649 /nfs/dbraw/zinc/13/36/49/398133649.db2.gz NNJRUAWJWANPEM-QWRGUYRKSA-N 0 3 245.319 0.003 20 0 BCADHN O=C(Nc1ccncc1)[C@@H]1CNCCC1(F)F ZINC000649275486 398133848 /nfs/dbraw/zinc/13/38/48/398133848.db2.gz DCSRCNHHJWFMIV-VIFPVBQESA-N 0 3 241.241 0.687 20 0 BCADHN CC(C)N1CC[C@H](N2CCC[C@@](C)(O)C2)C1=O ZINC000124575260 167024126 /nfs/dbraw/zinc/02/41/26/167024126.db2.gz VAPJGZCMEGFOPH-WCQYABFASA-N 0 3 240.347 0.843 20 0 BCADHN CC(C)NC(=O)CCN1CCN(C)[C@@H](C)[C@@H]1C ZINC000356977236 167040509 /nfs/dbraw/zinc/04/05/09/167040509.db2.gz CKQSEMNYJWXCOT-RYUDHWBXSA-N 0 3 241.379 0.926 20 0 BCADHN CC(C)NC(=O)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000135252422 167041523 /nfs/dbraw/zinc/04/15/23/167041523.db2.gz LXNQSGQGDZCDLG-SNVBAGLBSA-N 0 3 243.351 0.391 20 0 BCADHN CC(C)NC(=O)CCN[C@@H]1C(=O)NCC[C@H]1C ZINC000193606512 167044910 /nfs/dbraw/zinc/04/49/10/167044910.db2.gz JTNIQNBRCRVFJX-KOLCDFICSA-N 0 3 241.335 0.015 20 0 BCADHN CC(C)NC(=O)CCNCc1cncn1C ZINC000157055581 167044920 /nfs/dbraw/zinc/04/49/20/167044920.db2.gz XZFYLJQUJVTIQQ-UHFFFAOYSA-N 0 3 224.308 0.424 20 0 BCADHN CNC(=O)CCN1CC=C(COC)CC1 ZINC000275037253 173251998 /nfs/dbraw/zinc/25/19/98/173251998.db2.gz XFSFNAGFFMTUGI-UHFFFAOYSA-N 0 3 212.293 0.401 20 0 BCADHN CNC(=O)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000123366068 173287402 /nfs/dbraw/zinc/28/74/02/173287402.db2.gz GQSXUNYFSACAPL-YUMQZZPRSA-N 0 3 213.281 0.315 20 0 BCADHN CNC(=O)CN[C@@H]1CCCC[C@@H]1OC ZINC000037254142 173278282 /nfs/dbraw/zinc/27/82/82/173278282.db2.gz IAPQKTWKKDVHMB-BDAKNGLRSA-N 0 3 200.282 0.280 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H]2CCN(C)C[C@@H]21 ZINC000370203582 167053453 /nfs/dbraw/zinc/05/34/53/167053453.db2.gz ITKVHJXPKYXLJW-NEPJUHHUSA-N 0 3 239.363 0.537 20 0 BCADHN CNC(=O)[C@H](NC1CC(OC)C1)C(C)C ZINC000308909302 173305252 /nfs/dbraw/zinc/30/52/52/173305252.db2.gz DGOBHKFEHZIULE-UDNWOFFPSA-N 0 3 214.309 0.524 20 0 BCADHN COCCN1CC[C@@H](NC(=O)C2CC2)C1 ZINC000340954931 174311767 /nfs/dbraw/zinc/31/17/67/174311767.db2.gz GKIFBQOUPOUABN-SNVBAGLBSA-N 0 3 212.293 0.233 20 0 BCADHN Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](C)C[NH3+] ZINC000259053834 322879686 /nfs/dbraw/zinc/87/96/86/322879686.db2.gz HBIRXKSVDKJWAW-ZCFIWIBFSA-N 0 3 247.320 0.165 20 0 BCADHN COc1ccc(CNC[C@H]2COCCN2)cc1 ZINC000258968053 322880312 /nfs/dbraw/zinc/88/03/12/322880312.db2.gz SPRLIHORGWVFSX-LBPRGKRZSA-N 0 3 236.315 0.773 20 0 BCADHN CCCN(CC(=O)N(C)C)C[C@@H](C)CO ZINC000120684362 490067374 /nfs/dbraw/zinc/06/73/74/490067374.db2.gz VRRYYWNMINYIKT-SNVBAGLBSA-N 0 3 216.325 0.415 20 0 BCADHN Cn1ccc(C(=O)N2CCNCC2(C)C)cc1=O ZINC000225349157 487557826 /nfs/dbraw/zinc/55/78/26/487557826.db2.gz SSIWBBQLIFRFIB-UHFFFAOYSA-N 0 3 249.314 0.209 20 0 BCADHN O=C(Cc1ccon1)N1CC[C@H](N2CCCC2)C1 ZINC000530576090 322884650 /nfs/dbraw/zinc/88/46/50/322884650.db2.gz RJMDDHSHEDEBHP-LBPRGKRZSA-N 0 3 249.314 0.914 20 0 BCADHN C[C@@H](NCC[C@]1(O)CCOC1)c1cn[nH]c1 ZINC000404213415 487563644 /nfs/dbraw/zinc/56/36/44/487563644.db2.gz YALLQCFQMXHPBA-KOLCDFICSA-N 0 3 225.292 0.602 20 0 BCADHN NCC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000113078962 487563839 /nfs/dbraw/zinc/56/38/39/487563839.db2.gz OAYXURMZLJBJOJ-LLVKDONJSA-N 0 3 235.287 0.245 20 0 BCADHN CC(C)OC(=O)[C@H](C)CNC(=O)C(C)(C)N ZINC000119390543 167168827 /nfs/dbraw/zinc/16/88/27/167168827.db2.gz ZUKZTOPGNXSACD-MRVPVSSYSA-N 0 3 230.308 0.428 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)CNC(C)=O ZINC000674361446 487565012 /nfs/dbraw/zinc/56/50/12/487565012.db2.gz NUCJZQSLWSOXLH-LLVKDONJSA-N 0 3 241.335 0.113 20 0 BCADHN C[C@H](CNS(N)(=O)=O)N1CCCC[C@@H]1C ZINC000341578167 177078599 /nfs/dbraw/zinc/07/85/99/177078599.db2.gz DGLYAYDNHMZTHN-DTWKUNHWSA-N 0 3 235.353 0.042 20 0 BCADHN CCCN(CC(=O)N1CCNC(=O)C1)C(C)C ZINC000653797415 487567693 /nfs/dbraw/zinc/56/76/93/487567693.db2.gz LATYDKLCYZVGGZ-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CC(C)OCC(=O)NCCNc1ccncc1 ZINC000358666333 167187661 /nfs/dbraw/zinc/18/76/61/167187661.db2.gz UCSAVJSBOFGTJA-UHFFFAOYSA-N 0 3 237.303 0.457 20 0 BCADHN COC[C@@H](O)CNCc1cc(F)cc(OC)c1 ZINC000312535805 322894765 /nfs/dbraw/zinc/89/47/65/322894765.db2.gz QFQFSBHGQUYXNX-NSHDSACASA-N 0 3 243.278 0.931 20 0 BCADHN CN(Cc1cccn1C)C1(CO)CCOCC1 ZINC000668805958 487572958 /nfs/dbraw/zinc/57/29/58/487572958.db2.gz PXVQZKPAOPTNHU-UHFFFAOYSA-N 0 3 238.331 0.998 20 0 BCADHN CN1CCC[C@H](CNC(=O)C2(O)CCC2)C1 ZINC000680359717 487574029 /nfs/dbraw/zinc/57/40/29/487574029.db2.gz YRQXPZDXDSMDDE-SNVBAGLBSA-N 0 3 226.320 0.359 20 0 BCADHN C[C@H](N[C@H]1CCCOC1)C(=O)NCCF ZINC000308897547 487574540 /nfs/dbraw/zinc/57/45/40/487574540.db2.gz ATHDZHGIGFQCDB-IUCAKERBSA-N 0 3 218.272 0.229 20 0 BCADHN CC(C)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000036170859 322901410 /nfs/dbraw/zinc/90/14/10/322901410.db2.gz MKKIFYKIFDTXQI-UHFFFAOYSA-N 0 3 240.351 0.038 20 0 BCADHN Cc1conc1C(=O)N1CCCNCC1 ZINC000082239273 487578344 /nfs/dbraw/zinc/57/83/44/487578344.db2.gz QYGUBQPNXBKUCL-UHFFFAOYSA-N 0 3 209.249 0.419 20 0 BCADHN CO[C@@H]1CCCC[C@H]1n1cc(CN)nn1 ZINC000393731734 487578776 /nfs/dbraw/zinc/57/87/76/487578776.db2.gz IKWBIPLRYFOVTL-NXEZZACHSA-N 0 3 210.281 0.867 20 0 BCADHN CC(C)OCCCNC(=O)[C@]1(F)CCNC1 ZINC000370793289 167220311 /nfs/dbraw/zinc/22/03/11/167220311.db2.gz KPTOGTCVPCXTSR-NSHDSACASA-N 0 3 232.299 0.619 20 0 BCADHN O[C@H](CN[C@@H]1CCCC[C@@H]1O)C(F)(F)F ZINC000225440306 487578687 /nfs/dbraw/zinc/57/86/87/487578687.db2.gz YISJVFXOXOPWRY-GJMOJQLCSA-N 0 3 227.226 0.803 20 0 BCADHN CC(C)OCCN1CCC[C@]2(CNC(=O)O2)C1 ZINC000372620966 167231041 /nfs/dbraw/zinc/23/10/41/167231041.db2.gz PPSJTUZBTWEJPS-LBPRGKRZSA-N 0 3 242.319 0.986 20 0 BCADHN CCc1cc(N2CCN3C[C@H](O)C[C@H]3C2)ncn1 ZINC000405390995 487582553 /nfs/dbraw/zinc/58/25/53/487582553.db2.gz MISAOAVTTXRLOP-NWDGAFQWSA-N 0 3 248.330 0.294 20 0 BCADHN Cc1cccc(CN2C[C@H](O)C[C@H](O)C2)c1 ZINC000674466601 487582680 /nfs/dbraw/zinc/58/26/80/487582680.db2.gz YVXFNAKGOQUKGZ-BETUJISGSA-N 0 3 221.300 0.923 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000152916612 487585992 /nfs/dbraw/zinc/58/59/92/487585992.db2.gz LGVKHOAPUORENA-GHMZBOCLSA-N 0 3 248.330 0.514 20 0 BCADHN C[NH2+]C[C@H](C)NC(=O)c1ccc(OC)cc1[O-] ZINC000393839434 487585993 /nfs/dbraw/zinc/58/59/93/487585993.db2.gz RFGKDBBNFPWMRP-QMMMGPOBSA-N 0 3 238.287 0.739 20 0 BCADHN CC(C)OC[C@@H](C)N[C@@H](CO)[C@H]1CCCO1 ZINC000336747061 167257329 /nfs/dbraw/zinc/25/73/29/167257329.db2.gz RTKCSYTVRBALIA-GRYCIOLGSA-N 0 3 231.336 0.929 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)C[C@H](C)O ZINC000337230364 167258170 /nfs/dbraw/zinc/25/81/70/167258170.db2.gz IJGRHYTXLGBETF-VHSXEESVSA-N 0 3 205.298 0.085 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)C[C@@H](C)O ZINC000337230362 167259566 /nfs/dbraw/zinc/25/95/66/167259566.db2.gz IJGRHYTXLGBETF-NXEZZACHSA-N 0 3 205.298 0.085 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCOC[C@@H](C)C1 ZINC000336681580 167261687 /nfs/dbraw/zinc/26/16/87/167261687.db2.gz QUYKFIWYRRZUQS-RYUDHWBXSA-N 0 3 231.336 0.741 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCC([C@H](C)O)CC1 ZINC000225913999 167261913 /nfs/dbraw/zinc/26/19/13/167261913.db2.gz YQSGEJNEQPDBRT-AAEUAGOBSA-N 0 3 245.363 0.865 20 0 BCADHN C[C@@H]1C[C@@H](NCC(=O)NC2CC2)CS1 ZINC000086934880 487591906 /nfs/dbraw/zinc/59/19/06/487591906.db2.gz JQXVQNHOVICRCV-VXNVDRBHSA-N 0 3 214.334 0.749 20 0 BCADHN C[C@@H]1C[C@@H](N[C@@H]2CCC(=O)N(C)C2=O)CS1 ZINC000086936349 487591971 /nfs/dbraw/zinc/59/19/71/487591971.db2.gz BNHKNRUQXFQUDN-IWSPIJDZSA-N 0 3 242.344 0.617 20 0 BCADHN CCn1nccc1CCN1CC[C@@H](O)[C@H]1C ZINC000650190931 487599089 /nfs/dbraw/zinc/59/90/89/487599089.db2.gz IVSUYAYLBBSQIK-ZYHUDNBSSA-N 0 3 223.320 0.901 20 0 BCADHN Cc1cnccc1CCN[C@@]1(C(N)=O)CCOC1 ZINC000568170814 322919257 /nfs/dbraw/zinc/91/92/57/322919257.db2.gz UYPLXJRWSZUKJJ-ZDUSSCGKSA-N 0 3 249.314 0.167 20 0 BCADHN CN(C(=O)Cc1cc[nH]n1)[C@@H]1CCN(C2CC2)C1 ZINC000530819122 487600796 /nfs/dbraw/zinc/60/07/96/487600796.db2.gz QKGRERRATISXOC-GFCCVEGCSA-N 0 3 248.330 0.647 20 0 BCADHN CN(C(=O)Cc1ccn[nH]1)[C@@H]1CCN(C2CC2)C1 ZINC000530819122 487600798 /nfs/dbraw/zinc/60/07/98/487600798.db2.gz QKGRERRATISXOC-GFCCVEGCSA-N 0 3 248.330 0.647 20 0 BCADHN OC[C@H]1C[C@H](O)CN1Cc1ccc2[nH]cnc2c1 ZINC000680482002 487603676 /nfs/dbraw/zinc/60/36/76/487603676.db2.gz JNDOWHCBLSYWQH-MNOVXSKESA-N 0 3 247.298 0.490 20 0 BCADHN OC[C@H]1C[C@H](O)CN1Cc1ccc2nc[nH]c2c1 ZINC000680482002 487603678 /nfs/dbraw/zinc/60/36/78/487603678.db2.gz JNDOWHCBLSYWQH-MNOVXSKESA-N 0 3 247.298 0.490 20 0 BCADHN CN1C(=O)N[C@@H]2CN([C@@H]3CCCOC3)CC[C@@H]21 ZINC000671522265 487607616 /nfs/dbraw/zinc/60/76/16/487607616.db2.gz PZSCJUZDFIAQKL-MXWKQRLJSA-N 0 3 239.319 0.263 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000668274667 487609626 /nfs/dbraw/zinc/60/96/26/487609626.db2.gz JAXOKXUJCXNYHA-WHOHXGKFSA-N 0 3 227.304 0.557 20 0 BCADHN CCCCCN(CCO)C[C@@H]1CNCCO1 ZINC000662249538 409547909 /nfs/dbraw/zinc/54/79/09/409547909.db2.gz WNOHFGQPUKFDHH-LBPRGKRZSA-N 0 3 230.352 0.459 20 0 BCADHN CCN1CC[C@H](N2CCNC[C@@](C)(F)C2)C1=O ZINC000662274685 409584642 /nfs/dbraw/zinc/58/46/42/409584642.db2.gz WEJUJPMOVYIKGG-CMPLNLGQSA-N 0 3 243.326 0.241 20 0 BCADHN C[C@@H]1CN(C(=O)C2(NC3CC3)CCC2)CCN1 ZINC000662416788 409706737 /nfs/dbraw/zinc/70/67/37/409706737.db2.gz BFJIIQGYWZQAFV-SNVBAGLBSA-N 0 3 237.347 0.481 20 0 BCADHN Cc1cc(NC(=O)CNC(C)C)nn1C ZINC000300883875 487610848 /nfs/dbraw/zinc/61/08/48/487610848.db2.gz NGJHLFLOEWNNRP-UHFFFAOYSA-N 0 3 210.281 0.665 20 0 BCADHN CN(CCNC(=O)c1ncccc1N)C1CC1 ZINC000132678453 409733097 /nfs/dbraw/zinc/73/30/97/409733097.db2.gz YCJCGGRVDJQBTA-UHFFFAOYSA-N 0 3 234.303 0.488 20 0 BCADHN CCO[C@@H]1C[C@H](NC(=O)CNC(C)C)[C@H]1OC ZINC000662542065 409748730 /nfs/dbraw/zinc/74/87/30/409748730.db2.gz MGRPNJAILPDODO-HOSYDEDBSA-N 0 3 244.335 0.293 20 0 BCADHN CCO[C@@H]1C[C@@H](NC(=O)CNC(C)C)[C@H]1OC ZINC000662542063 409749583 /nfs/dbraw/zinc/74/95/83/409749583.db2.gz MGRPNJAILPDODO-CKYFFXLPSA-N 0 3 244.335 0.293 20 0 BCADHN CCO[C@@H]1C[C@@H](NC(=O)CNC(C)C)[C@@H]1OC ZINC000662542064 409749850 /nfs/dbraw/zinc/74/98/50/409749850.db2.gz MGRPNJAILPDODO-FOGDFJRCSA-N 0 3 244.335 0.293 20 0 BCADHN NCC(F)(F)CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000653112891 409823834 /nfs/dbraw/zinc/82/38/34/409823834.db2.gz MCIRELGOSVUKCV-MRVPVSSYSA-N 0 3 247.289 0.323 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000662667767 409825164 /nfs/dbraw/zinc/82/51/64/409825164.db2.gz YCRDYQPTIJLBND-OPRDCNLKSA-N 0 3 214.309 0.798 20 0 BCADHN C[C@H](CNC(=O)CC(F)(F)CN)N(C)C1CC1 ZINC000653116857 409830539 /nfs/dbraw/zinc/83/05/39/409830539.db2.gz WMMGEGALXNUTMA-MRVPVSSYSA-N 0 3 249.305 0.569 20 0 BCADHN O=C(CCC(F)F)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294544 409831707 /nfs/dbraw/zinc/83/17/07/409831707.db2.gz ADXYDAKNQHCYCQ-DTWKUNHWSA-N 0 3 248.273 0.309 20 0 BCADHN O=C(Nc1ccccc1[O-])[C@]12C[NH2+]C[C@H]1COC2 ZINC000653129972 409842745 /nfs/dbraw/zinc/84/27/45/409842745.db2.gz PWLMNGRSIOWJAC-ZANVPECISA-N 0 3 248.282 0.567 20 0 BCADHN NC1(C(=O)N2CC[C@H](Cn3ccnn3)C2)CCC1 ZINC000662619211 409790747 /nfs/dbraw/zinc/79/07/47/409790747.db2.gz KGAXQHUDBGGENG-JTQLQIEISA-N 0 3 249.318 0.008 20 0 BCADHN C[C@@H](NC1COCCOC1)[C@@H]1CCCO1 ZINC000308831557 409909963 /nfs/dbraw/zinc/90/99/63/409909963.db2.gz JQNUJROHGQMHNG-KOLCDFICSA-N 0 3 215.293 0.559 20 0 BCADHN C[C@H](N)C(=O)N1CCC(c2ccon2)CC1 ZINC000662712392 409864299 /nfs/dbraw/zinc/86/42/99/409864299.db2.gz FWCHOGPEIFEWOJ-QMMMGPOBSA-N 0 3 223.276 0.728 20 0 BCADHN C[C@H](N)C(=O)N1CCOc2ccc(O)cc2C1 ZINC000662731666 409874512 /nfs/dbraw/zinc/87/45/12/409874512.db2.gz IBOWGWPFAOVHNK-QMMMGPOBSA-N 0 3 236.271 0.460 20 0 BCADHN Cn1ccc(CNC2COCCOC2)c1 ZINC000308855276 409926176 /nfs/dbraw/zinc/92/61/76/409926176.db2.gz PRHHZCKRNZOHEH-UHFFFAOYSA-N 0 3 210.277 0.530 20 0 BCADHN N[C@H](C(=O)N1CCc2nccnc2C1)C1CCC1 ZINC000662732879 409878190 /nfs/dbraw/zinc/87/81/90/409878190.db2.gz BKSHCFGMDZVSBP-LBPRGKRZSA-N 0 3 246.314 0.489 20 0 BCADHN C[C@@H](N)C(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000662760910 409886392 /nfs/dbraw/zinc/88/63/92/409886392.db2.gz MGXTZQRRQOPYBY-UTLUCORTSA-N 0 3 226.320 0.750 20 0 BCADHN NC1(C(=O)N[C@@H](CO)C2CCC2)CCCC1 ZINC000662848701 409952410 /nfs/dbraw/zinc/95/24/10/409952410.db2.gz FPEGYSRMBHCYQS-JTQLQIEISA-N 0 3 226.320 0.535 20 0 BCADHN CCC[C@](C)(N)C(=O)NC/C=C/CO ZINC000662856325 409954321 /nfs/dbraw/zinc/95/43/21/409954321.db2.gz QAVJNUBOKVBENP-YEZKRMTDSA-N 0 3 200.282 0.169 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CNC(=O)C2)C2(CCC2)CO1 ZINC000660919338 409966471 /nfs/dbraw/zinc/96/64/71/409966471.db2.gz DWHXIQDFZVKMFM-MNOVXSKESA-N 0 3 238.331 0.766 20 0 BCADHN COCCNCC(=O)N(C)CC1=CCSC1 ZINC000662950619 409986324 /nfs/dbraw/zinc/98/63/24/409986324.db2.gz ABDYXIHOHSNUPK-UHFFFAOYSA-N 0 3 244.360 0.354 20 0 BCADHN CC(C)OC[C@@H](C)NC1COCCOC1 ZINC000308884849 409935077 /nfs/dbraw/zinc/93/50/77/409935077.db2.gz VLDIKNSHTXOPQN-SNVBAGLBSA-N 0 3 217.309 0.805 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@H](C)N)CC1 ZINC000662833932 409939795 /nfs/dbraw/zinc/93/97/95/409939795.db2.gz BOIGNXHAMMKRMN-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN CO[C@@H](CN1CC(C)(C(N)=O)C1)C1CCCC1 ZINC000660898580 409947047 /nfs/dbraw/zinc/94/70/47/409947047.db2.gz IISHGZNJURUUMV-NSHDSACASA-N 0 3 240.347 0.999 20 0 BCADHN CC(C)N(C)CC(=O)N1CCN(C)CC1(C)C ZINC000334356533 410011031 /nfs/dbraw/zinc/01/10/31/410011031.db2.gz NPRDGJDYMMNVLE-UHFFFAOYSA-N 0 3 241.379 0.879 20 0 BCADHN CN(C[C@H]1CC1(C)C)C(=O)CCOC1CNC1 ZINC000662991365 410016551 /nfs/dbraw/zinc/01/65/51/410016551.db2.gz SWDLFBWECIJHBD-SNVBAGLBSA-N 0 3 240.347 0.869 20 0 BCADHN CN(C[C@@H]1CC1(C)C)C(=O)CCOC1CNC1 ZINC000662991364 410016723 /nfs/dbraw/zinc/01/67/23/410016723.db2.gz SWDLFBWECIJHBD-JTQLQIEISA-N 0 3 240.347 0.869 20 0 BCADHN CCNC(=O)[C@@H](C)NC[C@](C)(OC)C1CC1 ZINC000390473293 410024284 /nfs/dbraw/zinc/02/42/84/410024284.db2.gz IABZVQAHZBSUQS-SKDRFNHKSA-N 0 3 228.336 0.916 20 0 BCADHN CCNC(=O)[C@H](C)NC[C@](C)(OC)C1CC1 ZINC000390473290 410024537 /nfs/dbraw/zinc/02/45/37/410024537.db2.gz IABZVQAHZBSUQS-CABZTGNLSA-N 0 3 228.336 0.916 20 0 BCADHN CCNC(=O)[C@@H](C)NC[C@@](C)(OC)C1CC1 ZINC000390473289 410024608 /nfs/dbraw/zinc/02/46/08/410024608.db2.gz IABZVQAHZBSUQS-BXKDBHETSA-N 0 3 228.336 0.916 20 0 BCADHN CCNC(=O)CN1CCNC[C@@H]1c1ccccc1 ZINC000313370867 410042924 /nfs/dbraw/zinc/04/29/24/410042924.db2.gz STECDGWAAMQUKR-CYBMUJFWSA-N 0 3 247.342 0.769 20 0 BCADHN C[C@@H](O)CN(C(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC000655369900 410002618 /nfs/dbraw/zinc/00/26/18/410002618.db2.gz GPJIIRSHYCJRIC-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN CCC1(O)CCN(C(=O)[C@H]2NCC2(C)C)CC1 ZINC000653174543 410150350 /nfs/dbraw/zinc/15/03/50/410150350.db2.gz VKRFXPZKZNAOHY-SNVBAGLBSA-N 0 3 240.347 0.748 20 0 BCADHN NCC(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000653175244 410150696 /nfs/dbraw/zinc/15/06/96/410150696.db2.gz SDLFXPCZSCJJMD-SECBINFHSA-N 0 3 210.233 0.138 20 0 BCADHN C[C@@H]1CCN(Cc2ccc(N)nc2)[C@@H]1CO ZINC000227203931 487613549 /nfs/dbraw/zinc/61/35/49/487613549.db2.gz YGOJIKVSVBADLI-MWLCHTKSSA-N 0 3 221.304 0.867 20 0 BCADHN CCCC(C)(C)C(=O)NC[C@H]1CNCCO1 ZINC000653163036 410106678 /nfs/dbraw/zinc/10/66/78/410106678.db2.gz DNIOKJGPEXPOJI-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@@H]1SCC[C@H]1NC(=O)C(N)C(F)(F)F ZINC000653176263 410152157 /nfs/dbraw/zinc/15/21/57/410152157.db2.gz OEZKJWIKHBLFFJ-KVQBGUIXSA-N 0 3 242.266 0.886 20 0 BCADHN C[C@H](N)C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000653192148 410157696 /nfs/dbraw/zinc/15/76/96/410157696.db2.gz HKAFZKBSLJZVLP-ZETCQYMHSA-N 0 3 235.287 0.952 20 0 BCADHN CN(Cc1c[nH]cn1)C[C@@H](O)CN(C)C1CC1 ZINC000661091159 410162838 /nfs/dbraw/zinc/16/28/38/410162838.db2.gz WBTOURSZBKULOT-GFCCVEGCSA-N 0 3 238.335 0.297 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000232610024 487614262 /nfs/dbraw/zinc/61/42/62/487614262.db2.gz IIJRWGJEFDRQDZ-JOYOIKCWSA-N 0 3 241.335 0.084 20 0 BCADHN C[C@H](COCC1CC1)NC(=O)[C@H](C)N ZINC000653254861 410236798 /nfs/dbraw/zinc/23/67/98/410236798.db2.gz AIZQYVLQCBZAHP-SFYZADRCSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)COCC1CC1 ZINC000653254860 410237800 /nfs/dbraw/zinc/23/78/00/410237800.db2.gz AIZQYVLQCBZAHP-JGVFFNPUSA-N 0 3 200.282 0.265 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@H](C)OCC12CCC2 ZINC000653254297 410237921 /nfs/dbraw/zinc/23/79/21/410237921.db2.gz NGKJPUAPQPQAJM-VHSXEESVSA-N 0 3 226.320 0.894 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)COCC1CC1 ZINC000653254985 410237942 /nfs/dbraw/zinc/23/79/42/410237942.db2.gz FSIQHSCCGQSMQS-WCBMZHEXSA-N 0 3 214.309 0.655 20 0 BCADHN CC(C)CCN1C(=O)C[C@H](NC[C@H](C)O)C1=O ZINC000653282704 487614546 /nfs/dbraw/zinc/61/45/46/487614546.db2.gz GWAIJZRLEIQLBH-UWVGGRQHSA-N 0 3 242.319 0.130 20 0 BCADHN CCn1nc(C)c(CNC(=O)[C@H](C)NC)c1C ZINC000655433122 410253555 /nfs/dbraw/zinc/25/35/55/410253555.db2.gz GNLVFHOUJJHUDU-VIFPVBQESA-N 0 3 238.335 0.744 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000655435746 410257159 /nfs/dbraw/zinc/25/71/59/410257159.db2.gz FJCCPIDHRBWEAB-IONNQARKSA-N 0 3 222.292 0.511 20 0 BCADHN CN[C@@H](C)C(=O)NCCN1Cc2ccccc2C1 ZINC000655445540 410268331 /nfs/dbraw/zinc/26/83/31/410268331.db2.gz ARKJKTWAGZFKNJ-NSHDSACASA-N 0 3 247.342 0.726 20 0 BCADHN C[C@H](CO)C1CCN(C(=O)C(C)(C)N)CC1 ZINC000653252153 410230083 /nfs/dbraw/zinc/23/00/83/410230083.db2.gz LYIGPQZOXQARLU-SECBINFHSA-N 0 3 228.336 0.591 20 0 BCADHN C[C@@H](N)C(=O)N1CCC([C@@H](C)CO)CC1 ZINC000653252085 410230377 /nfs/dbraw/zinc/23/03/77/410230377.db2.gz KRHSYQLKKNLWPD-DTWKUNHWSA-N 0 3 214.309 0.201 20 0 BCADHN CCN1C[C@H](CNCc2conc2C)CC1=O ZINC000651997799 410323558 /nfs/dbraw/zinc/32/35/58/410323558.db2.gz AOGYSWXDVQIWQR-JTQLQIEISA-N 0 3 237.303 0.941 20 0 BCADHN CCN1C[C@@H](CNCc2conc2C)CC1=O ZINC000651997800 410324233 /nfs/dbraw/zinc/32/42/33/410324233.db2.gz AOGYSWXDVQIWQR-SNVBAGLBSA-N 0 3 237.303 0.941 20 0 BCADHN CCCN(CCO)Cc1ccc(N)nc1 ZINC000050815775 410294455 /nfs/dbraw/zinc/29/44/55/410294455.db2.gz RGNHQWWDPADCFJ-UHFFFAOYSA-N 0 3 209.293 0.868 20 0 BCADHN O=C(CN[C@@H](CO)C1CCC1)NCC1CCC1 ZINC000661155742 410308662 /nfs/dbraw/zinc/30/86/62/410308662.db2.gz RLTYHGJUZBRRRH-LBPRGKRZSA-N 0 3 240.347 0.653 20 0 BCADHN CN(C)C[C@H](CO)Nc1ncc(Cl)cn1 ZINC000663910599 410370500 /nfs/dbraw/zinc/37/05/00/410370500.db2.gz KQDIPSMDVYYXDY-MRVPVSSYSA-N 0 3 230.699 0.464 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1C[C@H](O)C1)N(C)C1CC1 ZINC000663997955 410423003 /nfs/dbraw/zinc/42/30/03/410423003.db2.gz GNCQSRIOHFJSDV-QXEWZRGKSA-N 0 3 241.335 0.292 20 0 BCADHN C=Cn1cc(CNC[C@H]2CC(=O)N(CC)C2)cn1 ZINC000651999717 410518016 /nfs/dbraw/zinc/51/80/16/410518016.db2.gz RCGOWLWQTTVUEG-LLVKDONJSA-N 0 3 248.330 0.942 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000653275391 410560961 /nfs/dbraw/zinc/56/09/61/410560961.db2.gz DRFQFNRJKBSHOF-APPZFPTMSA-N 0 3 218.247 0.981 20 0 BCADHN COCCNCC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000653275640 410561284 /nfs/dbraw/zinc/56/12/84/410561284.db2.gz KQGMUHJUYSQAMQ-JTQLQIEISA-N 0 3 248.273 0.480 20 0 BCADHN CC(C)NC(=O)[C@H](C)n1cc(C(C)(C)N)nn1 ZINC000070117980 410665091 /nfs/dbraw/zinc/66/50/91/410665091.db2.gz IFIAWPBRUJHSSJ-QMMMGPOBSA-N 0 3 239.323 0.558 20 0 BCADHN CCN(CC)CC(=O)N(CC)[C@@H]1CCOC1 ZINC000361200431 169763975 /nfs/dbraw/zinc/76/39/75/169763975.db2.gz QIOHAQXSRSXTIC-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CN(CCCCS(C)(=O)=O)CC1(O)CCC1 ZINC000680580789 487617867 /nfs/dbraw/zinc/61/78/67/487617867.db2.gz CBOYDZQZFCYJHA-UHFFFAOYSA-N 0 3 249.376 0.658 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@H](C)[C@@H]1CCO ZINC000661483166 410695481 /nfs/dbraw/zinc/69/54/81/410695481.db2.gz BSBAORGWKANOSU-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CN(C)C(=O)CN1C[C@]2(C)COC[C@]2(C)C1 ZINC000661494109 410707760 /nfs/dbraw/zinc/70/77/60/410707760.db2.gz ZSYDIWNBNXKTGQ-TXEJJXNPSA-N 0 3 226.320 0.433 20 0 BCADHN CN(C)CC(C)(C)CNc1ccc(=O)n(C)n1 ZINC000413025643 410721959 /nfs/dbraw/zinc/72/19/59/410721959.db2.gz RJPJGERYGINDTQ-UHFFFAOYSA-N 0 3 238.335 0.780 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000655470186 410687113 /nfs/dbraw/zinc/68/71/13/410687113.db2.gz ORTRGCPFVPRWNA-QWRGUYRKSA-N 0 3 248.330 0.384 20 0 BCADHN COCC[C@H](COC)NC[C@H](O)C(F)(F)F ZINC000393750651 410756656 /nfs/dbraw/zinc/75/66/56/410756656.db2.gz ODFUKBDCZBESNV-SFYZADRCSA-N 0 3 245.241 0.551 20 0 BCADHN COCC[C@@H](COC)NC[C@H](O)C(F)(F)F ZINC000393750652 410757377 /nfs/dbraw/zinc/75/73/77/410757377.db2.gz ODFUKBDCZBESNV-YUMQZZPRSA-N 0 3 245.241 0.551 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC([C@H](C)CO)CC1 ZINC000655486085 410782900 /nfs/dbraw/zinc/78/29/00/410782900.db2.gz NEIWVSLQZTXSAE-ZJUUUORDSA-N 0 3 228.336 0.461 20 0 BCADHN OCC[C@@]1(CNCC2(F)CC2)CCOC1 ZINC000308879522 410786104 /nfs/dbraw/zinc/78/61/04/410786104.db2.gz PDOFCINVXXKDCI-JTQLQIEISA-N 0 3 217.284 0.867 20 0 BCADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)C ZINC000651088612 410792450 /nfs/dbraw/zinc/79/24/50/410792450.db2.gz GGUMHLKRERFCDE-VIFPVBQESA-N 0 3 243.351 0.215 20 0 BCADHN COCC1(CNC(=O)C(N)C(F)(F)F)CC1 ZINC000655489895 410805626 /nfs/dbraw/zinc/80/56/26/410805626.db2.gz AHDYBGRMXFXUTM-LURJTMIESA-N 0 3 240.225 0.419 20 0 BCADHN CN1CC[C@](O)(CNc2nc3ccccc3o2)C1 ZINC000358355039 410855583 /nfs/dbraw/zinc/85/55/83/410855583.db2.gz PQMNSFVFSISEQD-ZDUSSCGKSA-N 0 3 247.298 1.306 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCCN(C)C1 ZINC000040673671 410886139 /nfs/dbraw/zinc/88/61/39/410886139.db2.gz BEZIYXRYOQMVKT-NXEZZACHSA-N 0 3 213.325 0.180 20 0 BCADHN Cc1cc(CC(=O)N[C@@H]2CCCN(C)C2)on1 ZINC000651265270 410892274 /nfs/dbraw/zinc/89/22/74/410892274.db2.gz MXZJTMRKDBADJT-SNVBAGLBSA-N 0 3 237.303 0.736 20 0 BCADHN CC(C)(N)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000040921867 410898325 /nfs/dbraw/zinc/89/83/25/410898325.db2.gz BVIKOHMAQKYMHB-UHFFFAOYSA-N 0 3 239.250 0.600 20 0 BCADHN CC(C)N1CC[C@H](N2CCC[C@H](CO)C2)C1=O ZINC000304697656 167026301 /nfs/dbraw/zinc/02/63/01/167026301.db2.gz ISKRQLFURFGJPL-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)N1CC[C@H](N[C@H](C)[C@H](C)CO)C1=O ZINC000309633387 167026438 /nfs/dbraw/zinc/02/64/38/167026438.db2.gz RQXQTEKFKIUJDZ-MXWKQRLJSA-N 0 3 228.336 0.602 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CSC[C@H]1C ZINC000308552937 167061619 /nfs/dbraw/zinc/06/16/19/167061619.db2.gz QYWVPSQZVMWARS-RKDXNWHRSA-N 0 3 216.350 0.852 20 0 BCADHN CC(C)NC(=O)CCN1CCN(C(C)C)CC1 ZINC000046515713 167039863 /nfs/dbraw/zinc/03/98/63/167039863.db2.gz UAWPWYNYWRRIFA-UHFFFAOYSA-N 0 3 241.379 0.927 20 0 BCADHN CC(C)NC(=O)CCN1CC[C@H](O)C(C)(C)C1 ZINC000301942644 167042209 /nfs/dbraw/zinc/04/22/09/167042209.db2.gz HMJWFYGOJBFSKG-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CCC[C@@]1(C)CO ZINC000309686151 167058195 /nfs/dbraw/zinc/05/81/95/167058195.db2.gz OCZMVVJJGRFHKR-PWSUYJOCSA-N 0 3 228.336 0.652 20 0 BCADHN CC(C)NCC(=O)N1C[C@H](C)OC[C@@H]1C ZINC000037477163 167097768 /nfs/dbraw/zinc/09/77/68/167097768.db2.gz MILMAMXZNXDGOS-UWVGGRQHSA-N 0 3 214.309 0.620 20 0 BCADHN CC(C)OC1CC(NCC(=O)NC2CC2)C1 ZINC000309569232 167176051 /nfs/dbraw/zinc/17/60/51/167176051.db2.gz NDVURBOCNFGYKV-UHFFFAOYSA-N 0 3 226.320 0.811 20 0 BCADHN CC(C)OCCCN(C)[C@H]1CCNC1=O ZINC000340222488 167213922 /nfs/dbraw/zinc/21/39/22/167213922.db2.gz XSPDOQCCKTUTPQ-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)OCCNC(=O)NC1CCN(C)CC1 ZINC000183672315 167240016 /nfs/dbraw/zinc/24/00/16/167240016.db2.gz CBEIQPCCPZDORA-UHFFFAOYSA-N 0 3 243.351 0.805 20 0 BCADHN CC(C)OC[C@H](C)N[C@@H](C)C(=O)NCCF ZINC000309350643 167264777 /nfs/dbraw/zinc/26/47/77/167264777.db2.gz MQIGGZIOZWEJOR-UWVGGRQHSA-N 0 3 234.315 0.864 20 0 BCADHN CC(C)OC[C@H](O)CN(C)CC[C@@H](C)O ZINC000127989149 167267343 /nfs/dbraw/zinc/26/73/43/167267343.db2.gz VAMSTTDDJTXLBE-GHMZBOCLSA-N 0 3 219.325 0.475 20 0 BCADHN CC(C)O[C@H]1C[C@@H](N[C@@H]2COC[C@H]2O)C1(C)C ZINC000331612913 167282672 /nfs/dbraw/zinc/28/26/72/167282672.db2.gz WSIVVEATRBVNRS-KKOKHZNYSA-N 0 3 243.347 0.928 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)C1CC(O)C1)N(C)C ZINC000354306841 167339942 /nfs/dbraw/zinc/33/99/42/167339942.db2.gz YMCXDXWAUNPWFQ-ILDUYXDCSA-N 0 3 228.336 0.554 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)CC1(O)CCC1)N(C)C ZINC000354303139 167341944 /nfs/dbraw/zinc/34/19/44/167341944.db2.gz NCSCDXJPBAOLLD-NSHDSACASA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)[C@@H](C(=O)NCCN1CCC1)N(C)C ZINC000337604517 167342377 /nfs/dbraw/zinc/34/23/77/167342377.db2.gz UMCLMMDBZDMKED-NSHDSACASA-N 0 3 227.352 0.395 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC[C@](F)(CO)C1)N(C)C ZINC000338762011 167342912 /nfs/dbraw/zinc/34/29/12/167342912.db2.gz LWWOCQNFESZLCV-CMPLNLGQSA-N 0 3 246.326 0.506 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@@H]1CCOC1)N(C)C ZINC000106433853 167343043 /nfs/dbraw/zinc/34/30/43/167343043.db2.gz JYGBNFBQWRQIQK-QWRGUYRKSA-N 0 3 228.336 0.725 20 0 BCADHN CC(C)[C@@H](C(=O)NCC(C)(C)C(N)=O)N(C)C ZINC000106432669 167343285 /nfs/dbraw/zinc/34/32/85/167343285.db2.gz ATMJITBSWUBFHT-VIFPVBQESA-N 0 3 243.351 0.200 20 0 BCADHN CC(C)[C@@H](C)N(C)CC(=O)N1CCNCC1 ZINC000036787399 167368878 /nfs/dbraw/zinc/36/88/78/167368878.db2.gz YAGPAXUHRDBWEO-LLVKDONJSA-N 0 3 227.352 0.395 20 0 BCADHN CC(C)[C@@H](C)NC(=O)CN1CCNCC1 ZINC000020523664 167373751 /nfs/dbraw/zinc/37/37/51/167373751.db2.gz SWLDNCKEZFVWAQ-SNVBAGLBSA-N 0 3 213.325 0.052 20 0 BCADHN CC(C)[C@@H](CCO)NCc1cncnc1 ZINC000164860481 167392932 /nfs/dbraw/zinc/39/29/32/167392932.db2.gz PVVNFIADRHPYBZ-LLVKDONJSA-N 0 3 209.293 0.973 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000037032633 167419109 /nfs/dbraw/zinc/41/91/09/167419109.db2.gz STYGGJGYKCPPCQ-GFCCVEGCSA-N 0 3 249.314 0.636 20 0 BCADHN Cc1cc(CC(=O)N[C@@H]2CCCN(C)C2)n[nH]1 ZINC000674794068 487619522 /nfs/dbraw/zinc/61/95/22/487619522.db2.gz BBHVFAVQKCSNQT-SNVBAGLBSA-N 0 3 236.319 0.471 20 0 BCADHN Cc1cc(CC(=O)N[C@@H]2CCCN(C)C2)[nH]n1 ZINC000674794068 487619525 /nfs/dbraw/zinc/61/95/25/487619525.db2.gz BBHVFAVQKCSNQT-SNVBAGLBSA-N 0 3 236.319 0.471 20 0 BCADHN C[C@H](Cc1ccccn1)NC(=O)[C@H](C)N ZINC000655497318 410955145 /nfs/dbraw/zinc/95/51/45/410955145.db2.gz RJMQCDDWZHXBKY-BDAKNGLRSA-N 0 3 207.277 0.476 20 0 BCADHN CCn1nccc1CNC[C@@H]1CCC(=O)N1 ZINC000162702612 487619850 /nfs/dbraw/zinc/61/98/50/487619850.db2.gz ARFPUXANJZKEND-VIFPVBQESA-N 0 3 222.292 0.271 20 0 BCADHN CCO[C@@H]1CCCN(C(=O)[C@H](N)CC)C1 ZINC000042424924 411003551 /nfs/dbraw/zinc/00/35/51/411003551.db2.gz DWGXTJHEAIZENN-NXEZZACHSA-N 0 3 214.309 0.751 20 0 BCADHN CN1CCC[C@@H](NC(=O)[C@@H](N)C2CCC2)C1 ZINC000398989300 411005178 /nfs/dbraw/zinc/00/51/78/411005178.db2.gz JHAQOOQHIFGQFE-MNOVXSKESA-N 0 3 225.336 0.324 20 0 BCADHN O=C1CC[C@@H]2CN(Cc3cnc[nH]3)CC[C@@H]2N1 ZINC000661600832 411008586 /nfs/dbraw/zinc/00/85/86/411008586.db2.gz KBALWDHJDKHGTL-KOLCDFICSA-N 0 3 234.303 0.510 20 0 BCADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H](C)[C@H]1O ZINC000661625229 411085433 /nfs/dbraw/zinc/08/54/33/411085433.db2.gz LKYPSDBRWYVSJN-PJXYFTJBSA-N 0 3 240.347 0.558 20 0 BCADHN CO[C@@H]1CN(CCc2cccc(C)n2)C[C@H]1O ZINC000399794333 411065248 /nfs/dbraw/zinc/06/52/48/411065248.db2.gz RRJAYQJQXPEERQ-CHWSQXEVSA-N 0 3 236.315 0.624 20 0 BCADHN Cc1cc(CO)cc(N2CC(N(C)C)C2)n1 ZINC000382628212 411066429 /nfs/dbraw/zinc/06/64/29/411066429.db2.gz JHTXNSIIVVTTJR-UHFFFAOYSA-N 0 3 221.304 0.633 20 0 BCADHN COCC1(CN2CCOC[C@H](O)C2)CCC1 ZINC000399936997 411073539 /nfs/dbraw/zinc/07/35/39/411073539.db2.gz ULRKDTBVMHFGCX-LLVKDONJSA-N 0 3 229.320 0.496 20 0 BCADHN C[C@@H]1CN(Cc2cn[nH]c2)C[C@@H](C)C1O ZINC000661624241 411081253 /nfs/dbraw/zinc/08/12/53/411081253.db2.gz JJIAMXGGGLLLLJ-RKDXNWHRSA-N 0 3 209.293 0.858 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)C(F)(F)F)C[C@@H](C)C1O ZINC000661625381 411084128 /nfs/dbraw/zinc/08/41/28/411084128.db2.gz LUHLXLGOFAFLGK-BWZBUEFSSA-N 0 3 241.253 0.858 20 0 BCADHN CC(=O)NCC(C)(C)C(=O)N(C)CCN(C)C ZINC000651428736 411016683 /nfs/dbraw/zinc/01/66/83/411016683.db2.gz HSDYJNCFBFJNKH-UHFFFAOYSA-N 0 3 243.351 0.169 20 0 BCADHN CC[C@@H](C)[C@H](C)NC(=O)CN1CCNCC1 ZINC000042558790 411017193 /nfs/dbraw/zinc/01/71/93/411017193.db2.gz RPQPPWZONONEJY-MNOVXSKESA-N 0 3 227.352 0.442 20 0 BCADHN O=C1CC[C@@H]2CN(Cc3cn[nH]c3)CC[C@H]2N1 ZINC000661603379 411018587 /nfs/dbraw/zinc/01/85/87/411018587.db2.gz VOXRHWQMOAOGBE-GHMZBOCLSA-N 0 3 234.303 0.510 20 0 BCADHN CCCCNC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000658380016 411021162 /nfs/dbraw/zinc/02/11/62/411021162.db2.gz DTZBJYCLBLPXFY-IUCAKERBSA-N 0 3 217.288 0.786 20 0 BCADHN CCO[C@@H](C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655509220 411132761 /nfs/dbraw/zinc/13/27/61/411132761.db2.gz GIBILOIORGEDFV-WDSKDSINSA-N 0 3 228.214 0.417 20 0 BCADHN CCNC(=O)CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000408163038 411138859 /nfs/dbraw/zinc/13/88/59/411138859.db2.gz ATUMVWRXCNNOHO-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CCCC(C)(C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000651736012 411139990 /nfs/dbraw/zinc/13/99/90/411139990.db2.gz KLGNIZVDAZYTPC-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H]1C[C@@H](C)N1CCN1C(=O)CN(C)C1=O ZINC000660446280 411151821 /nfs/dbraw/zinc/15/18/21/411151821.db2.gz MLKQIMRZKROKDW-RKDXNWHRSA-N 0 3 225.292 0.363 20 0 BCADHN CCn1nncc1CNc1cccc(N(C)C)n1 ZINC000416425464 411152760 /nfs/dbraw/zinc/15/27/60/411152760.db2.gz INDCZQOUWTXHMA-UHFFFAOYSA-N 0 3 246.318 1.371 20 0 BCADHN CO[C@H](CN1C[C@@H](O)[C@@H](O)C1)C1CCCC1 ZINC000659980324 411153857 /nfs/dbraw/zinc/15/38/57/411153857.db2.gz TXYGSOMNUVLBGS-GRYCIOLGSA-N 0 3 229.320 0.229 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H](C)c1ccncc1 ZINC000309508890 411155114 /nfs/dbraw/zinc/15/51/14/411155114.db2.gz WSAUWRGSSOGOMU-BDAKNGLRSA-N 0 3 207.277 0.649 20 0 BCADHN COCc1ccc(CN[C@H]2C[C@@H](C(N)=O)C2)o1 ZINC000651939544 411155389 /nfs/dbraw/zinc/15/53/89/411155389.db2.gz IWEHCMQHXPEDMS-DTORHVGOSA-N 0 3 238.287 0.780 20 0 BCADHN CC[C@H](COC)NC(=O)C1(N)CCCC1 ZINC000070626221 411155747 /nfs/dbraw/zinc/15/57/47/411155747.db2.gz SPEDPKLDXAFGNV-SECBINFHSA-N 0 3 214.309 0.799 20 0 BCADHN CCc1nn(C)cc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651939591 411155845 /nfs/dbraw/zinc/15/58/45/411155845.db2.gz KCGOCFVENZKWAS-WAAGHKOSSA-N 0 3 236.319 0.336 20 0 BCADHN CC[C@H](COC)NC(=O)CNC(C)C ZINC000070626245 411156094 /nfs/dbraw/zinc/15/60/94/411156094.db2.gz GLEZAHDMSIJYPW-SECBINFHSA-N 0 3 202.298 0.526 20 0 BCADHN CN1CCN(CCn2ccccc2=O)CC1(C)C ZINC000653658145 411157507 /nfs/dbraw/zinc/15/75/07/411157507.db2.gz DBRVCALJHKJPSG-UHFFFAOYSA-N 0 3 249.358 0.874 20 0 BCADHN CC(C)CNC(=O)N[C@@H](CN)C(F)(F)F ZINC000655910058 411157573 /nfs/dbraw/zinc/15/75/73/411157573.db2.gz LJUGGCMNKMWQQE-LURJTMIESA-N 0 3 227.230 0.831 20 0 BCADHN CCCN(C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655916077 411158044 /nfs/dbraw/zinc/15/80/44/411158044.db2.gz ZRDJMXFUQCMELR-LURJTMIESA-N 0 3 227.230 0.927 20 0 BCADHN CCc1nocc1CNCC[C@@]1(O)CCOC1 ZINC000651944783 411158843 /nfs/dbraw/zinc/15/88/43/411158843.db2.gz FGQPYVMXFYOQNJ-GFCCVEGCSA-N 0 3 240.303 0.868 20 0 BCADHN CCC1CN(C(=O)N[C@@H](CN)C(F)(F)F)C1 ZINC000655931931 411159476 /nfs/dbraw/zinc/15/94/76/411159476.db2.gz QVLAVILFZRJGCX-ZETCQYMHSA-N 0 3 239.241 0.927 20 0 BCADHN C[C@@H](CC(N)=O)N[C@H]1CCCn2nccc21 ZINC000657911303 411164923 /nfs/dbraw/zinc/16/49/23/411164923.db2.gz YOSALFFEIJBUPM-IUCAKERBSA-N 0 3 222.292 0.572 20 0 BCADHN Cc1c[nH]nc1CNCC[C@]1(O)CCCOC1 ZINC000652040640 411089234 /nfs/dbraw/zinc/08/92/34/411089234.db2.gz ITZMHWGTYLEYES-GFCCVEGCSA-N 0 3 239.319 0.739 20 0 BCADHN C[C@H](CCO)N(C)Cc1cnc2cnccn12 ZINC000652048702 411100263 /nfs/dbraw/zinc/10/02/63/411100263.db2.gz SDQIGMIUVCHPLI-SNVBAGLBSA-N 0 3 234.303 0.932 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661630078 411106833 /nfs/dbraw/zinc/10/68/33/411106833.db2.gz KAALUFPCMNLWQQ-IWSPIJDZSA-N 0 3 214.309 0.199 20 0 BCADHN O[C@@]1(CN[C@H]2CCCn3nccc32)CCOC1 ZINC000657928814 411169727 /nfs/dbraw/zinc/16/97/27/411169727.db2.gz GPRXUDBNJINWPD-CMPLNLGQSA-N 0 3 237.303 0.459 20 0 BCADHN Cn1nccc1NC(=O)[C@H]1NCC1(C)C ZINC000309548576 411169909 /nfs/dbraw/zinc/16/99/09/411169909.db2.gz CTLYPNIRDOFWGO-MRVPVSSYSA-N 0 3 208.265 0.357 20 0 BCADHN C[C@@H](CN[C@@H]1COC2(CCC2)C1)S(C)(=O)=O ZINC000657931983 411171494 /nfs/dbraw/zinc/17/14/94/411171494.db2.gz UVMYBSKTXQYLND-UWVGGRQHSA-N 0 3 247.360 0.721 20 0 BCADHN COC[C@@H](CN(CC(N)=O)C1CCCC1)OC ZINC000659879450 411176341 /nfs/dbraw/zinc/17/63/41/411176341.db2.gz UFNSXOPGNGNKQR-LLVKDONJSA-N 0 3 244.335 0.378 20 0 BCADHN O=C(CC[NH2+]C1CC1)Nc1ccncc1[O-] ZINC000655608431 411176793 /nfs/dbraw/zinc/17/67/93/411176793.db2.gz CFVNWWKAMAHHGV-UHFFFAOYSA-N 0 3 221.260 0.290 20 0 BCADHN CO[C@H](CN(CCO)CCO)C1CCCC1 ZINC000659879869 411177650 /nfs/dbraw/zinc/17/76/50/411177650.db2.gz YTLJEPKZWWVBLB-GFCCVEGCSA-N 0 3 231.336 0.478 20 0 BCADHN CCN(CCO)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000659879847 411178005 /nfs/dbraw/zinc/17/80/05/411178005.db2.gz YOCSUBYUAHXAKL-IJLUTSLNSA-N 0 3 240.347 0.748 20 0 BCADHN COc1cc(CN[C@H]2CCCNC(=O)C2)ccn1 ZINC000111826950 411181356 /nfs/dbraw/zinc/18/13/56/411181356.db2.gz QCVVQDSOFRJZLX-NSHDSACASA-N 0 3 249.314 0.849 20 0 BCADHN O=C(CN[C@H]1COC2(CCC2)C1)NCC1CC1 ZINC000657965961 411182000 /nfs/dbraw/zinc/18/20/00/411182000.db2.gz DPVUALXEHQBWER-LLVKDONJSA-N 0 3 238.331 0.814 20 0 BCADHN CCS(=O)(=O)C(C)C(=O)NC1CCCC1 ZINC000058611076 411185745 /nfs/dbraw/zinc/18/57/45/411185745.db2.gz ROWPXVSYPUDCGO-MRVPVSSYSA-N 0 3 233.333 0.868 20 0 BCADHN C[C@@]12COC[C@@H]1CN(Cc1cn[nH]c1)C2 ZINC000661698348 411186999 /nfs/dbraw/zinc/18/69/99/411186999.db2.gz AXOWHERTPXDNRT-WDEREUQCSA-N 0 3 207.277 0.878 20 0 BCADHN CN(C(=O)N1CCOCC1)[C@@H]1CCCN(C)C1 ZINC000164272483 411188403 /nfs/dbraw/zinc/18/84/03/411188403.db2.gz XJKDOQVZAKSYKD-LLVKDONJSA-N 0 3 241.335 0.465 20 0 BCADHN C[C@@H](CN[C@H]1CCCS(=O)(=O)C1)C[C@H](C)O ZINC000336781527 411190183 /nfs/dbraw/zinc/19/01/83/411190183.db2.gz UVYWUYRAQHNXGP-VWYCJHECSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@@H](CCCO)NC(=O)[C@H]1NCC1(C)C ZINC000310004070 411194456 /nfs/dbraw/zinc/19/44/56/411194456.db2.gz FYFYTYQIHPEQBW-DTWKUNHWSA-N 0 3 214.309 0.262 20 0 BCADHN Cc1cc(CN[C@H](C)Cn2cncn2)n(C)n1 ZINC000658004486 411195041 /nfs/dbraw/zinc/19/50/41/411195041.db2.gz DMJMXYICSNMQCE-SNVBAGLBSA-N 0 3 234.307 0.498 20 0 BCADHN Nc1ccc(CNC2(CO)CCC2)cn1 ZINC000309653940 411195329 /nfs/dbraw/zinc/19/53/29/411195329.db2.gz YNSIHZVAZLXMFM-UHFFFAOYSA-N 0 3 207.277 0.668 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@@H]2CO[C@H](C)C2)[C@@H]1OC ZINC000402191109 411199811 /nfs/dbraw/zinc/19/98/11/411199811.db2.gz DZRWOBIZZQVBIC-IIRVCBMXSA-N 0 3 229.320 0.946 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1CCCO[C@@H](C)C1 ZINC000061920355 411200183 /nfs/dbraw/zinc/20/01/83/411200183.db2.gz DZGWLJNJTOPZPC-WDEREUQCSA-N 0 3 228.336 0.997 20 0 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ZINC000658048480 411218375 /nfs/dbraw/zinc/21/83/75/411218375.db2.gz YERVIPYPQIGWLK-AEJSXWLSSA-N 0 3 234.303 0.572 20 0 BCADHN CCN(CCCO)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000313817477 411221487 /nfs/dbraw/zinc/22/14/87/411221487.db2.gz AOXZMTGSRGFBBD-BETUJISGSA-N 0 3 244.379 0.800 20 0 BCADHN COC[C@H](Cc1ccccc1)N[C@H]1CCNC1=O ZINC000658056077 411222196 /nfs/dbraw/zinc/22/21/96/411222196.db2.gz VYTOBZPJHIVWTR-STQMWFEESA-N 0 3 248.326 0.722 20 0 BCADHN CC1(CN2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000656273385 411223635 /nfs/dbraw/zinc/22/36/35/411223635.db2.gz CWSXMOHHHZNQKS-WDEREUQCSA-N 0 3 210.321 0.537 20 0 BCADHN CN1CC[C@@H](NC(=O)NCC(F)(F)F)C1 ZINC000049028863 411223700 /nfs/dbraw/zinc/22/37/00/411223700.db2.gz FGJYEHCYXATBNW-ZCFIWIBFSA-N 0 3 225.214 0.552 20 0 BCADHN CCNC(=O)CN[C@H]1CC[C@@H](C)SC1 ZINC000655682212 411223786 /nfs/dbraw/zinc/22/37/86/411223786.db2.gz BOKULKPSXNKUTQ-BDAKNGLRSA-N 0 3 216.350 0.996 20 0 BCADHN O[C@@H]1C[C@H]2CN(CC3=CCCOC3)CCN2C1 ZINC000656273573 411224090 /nfs/dbraw/zinc/22/40/90/411224090.db2.gz JIMJVVUZIVQIII-QWHCGFSZSA-N 0 3 238.331 0.084 20 0 BCADHN CCNC(=O)CN[C@H]1CC[C@H](C)SC1 ZINC000655682214 411224411 /nfs/dbraw/zinc/22/44/11/411224411.db2.gz BOKULKPSXNKUTQ-IUCAKERBSA-N 0 3 216.350 0.996 20 0 BCADHN CN(Cc1cn[nH]c1)C(=O)C1(N)CCCC1 ZINC000069763550 411224505 /nfs/dbraw/zinc/22/45/05/411224505.db2.gz HCEKVKMLUYIEDT-UHFFFAOYSA-N 0 3 222.292 0.640 20 0 BCADHN CC(C)(C)[C@H](N)c1cn(CCCO)nn1 ZINC000656435222 411247364 /nfs/dbraw/zinc/24/73/64/411247364.db2.gz JPJNLPCKQJDDMW-SECBINFHSA-N 0 3 212.297 0.706 20 0 BCADHN COC[C@H](CNC1(C(N)=O)CCCCC1)OC ZINC000660095986 411230771 /nfs/dbraw/zinc/23/07/71/411230771.db2.gz PAOPLVZWZPQDRM-JTQLQIEISA-N 0 3 244.335 0.426 20 0 BCADHN CCN(C)CCNc1ncnc2c1cnn2C ZINC000049320540 411231355 /nfs/dbraw/zinc/23/13/55/411231355.db2.gz YBCCKTGKOVBZCK-UHFFFAOYSA-N 0 3 234.307 0.727 20 0 BCADHN O[C@H](CNC1COCCOC1)CC1CCCC1 ZINC000310381364 411234405 /nfs/dbraw/zinc/23/44/05/411234405.db2.gz AZPFRACQIIFXOG-ZDUSSCGKSA-N 0 3 243.347 0.933 20 0 BCADHN C[C@@H](Cn1cncn1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000657922094 411166973 /nfs/dbraw/zinc/16/69/73/411166973.db2.gz FWDLPGOLNURBMV-VHSXEESVSA-N 0 3 249.318 0.020 20 0 BCADHN CCCS(=O)(=O)NCCNC1CC1 ZINC000054267208 411263646 /nfs/dbraw/zinc/26/36/46/411263646.db2.gz YXWMZQLEWYCQPQ-UHFFFAOYSA-N 0 3 206.311 0.068 20 0 BCADHN Cn1cc2c(n1)CCC[C@H]2NC/C=C\CO ZINC000658138504 411263786 /nfs/dbraw/zinc/26/37/86/411263786.db2.gz NSYKGDUPKGXXLS-OTDNITJGSA-N 0 3 221.304 0.936 20 0 BCADHN NC(=O)N[C@@H]1CCN(Cc2cccc(N)c2)C1 ZINC000660148901 411264032 /nfs/dbraw/zinc/26/40/32/411264032.db2.gz DVQWSSFCTDCYEL-LLVKDONJSA-N 0 3 234.303 0.511 20 0 BCADHN COC[C@@H](O)Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000656455477 411264793 /nfs/dbraw/zinc/26/47/93/411264793.db2.gz ITPRYAKRCNNPDS-WCBMZHEXSA-N 0 3 242.323 0.331 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CCCc2c1ccc(=O)n2C ZINC000653453172 411265761 /nfs/dbraw/zinc/26/57/61/411265761.db2.gz ATBPTIIWQAPYSW-SCZZXKLOSA-N 0 3 249.314 0.226 20 0 BCADHN CN(C)C[C@H](O)CN[C@H]1CCCn2ccnc21 ZINC000655712989 411267103 /nfs/dbraw/zinc/26/71/03/411267103.db2.gz SXQDJFFNIYDXHP-MNOVXSKESA-N 0 3 238.335 0.230 20 0 BCADHN C[C@@H]1SCC[C@H]1NC(=O)C[C@H]1CNCCO1 ZINC000309838970 411268601 /nfs/dbraw/zinc/26/86/01/411268601.db2.gz NLYISGFSYQVBJX-LPEHRKFASA-N 0 3 244.360 0.375 20 0 BCADHN CC[C@@H](N)c1cn(-c2ccnc(CO)c2)nn1 ZINC000656459414 411268741 /nfs/dbraw/zinc/26/87/41/411268741.db2.gz SZIJHAVXDREZSM-SNVBAGLBSA-N 0 3 233.275 0.564 20 0 BCADHN C[C@H](N[C@H]1CCCS(=O)(=O)C1)C1(CO)CC1 ZINC000658155339 411268943 /nfs/dbraw/zinc/26/89/43/411268943.db2.gz PHWJYVNZWBJELR-UWVGGRQHSA-N 0 3 247.360 0.314 20 0 BCADHN Nc1ncc2c(n1)CN(C[C@H]1CCCOC1)CC2 ZINC000623293774 411270352 /nfs/dbraw/zinc/27/03/52/411270352.db2.gz FXEMHJDSUXDAQV-SNVBAGLBSA-N 0 3 248.330 0.844 20 0 BCADHN CC(C)[C@@H](N)c1cn(-c2cnnn2C)nn1 ZINC000656462920 411270370 /nfs/dbraw/zinc/27/03/70/411270370.db2.gz KBAHRJKLAZIVDA-SECBINFHSA-N 0 3 221.268 0.052 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N(C)[C@@H]1CCOC1 ZINC000134157271 411270506 /nfs/dbraw/zinc/27/05/06/411270506.db2.gz HEKVGSHSEHZGGZ-NXEZZACHSA-N 0 3 214.309 0.607 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)Cc1ncc[nH]1 ZINC000070645704 411271863 /nfs/dbraw/zinc/27/18/63/411271863.db2.gz GRZDCOZCZDTPDY-WPRPVWTQSA-N 0 3 224.308 0.742 20 0 BCADHN C[C@H](COCC1CC1)NC(=O)C(C)(C)N ZINC000652560284 411272279 /nfs/dbraw/zinc/27/22/79/411272279.db2.gz GSUQFLRISXVKSW-MRVPVSSYSA-N 0 3 214.309 0.655 20 0 BCADHN OCc1cn(CCCN2CCSCC2)nn1 ZINC000656449739 411272457 /nfs/dbraw/zinc/27/24/57/411272457.db2.gz FUEFYDUZLYOOSL-UHFFFAOYSA-N 0 3 242.348 0.209 20 0 BCADHN O=C1NCC[C@H]1CCN1CC[C@@H](F)C1 ZINC000653731699 411272947 /nfs/dbraw/zinc/27/29/47/411272947.db2.gz HYCAZBZSPXPQRA-DTWKUNHWSA-N 0 3 200.257 0.556 20 0 BCADHN C[C@@H]1[C@H](C)N(CCc2cn[nH]n2)CCN1C ZINC000660167466 411275113 /nfs/dbraw/zinc/27/51/13/411275113.db2.gz FCGZMQPGYVAEGU-ZJUUUORDSA-N 0 3 223.324 0.372 20 0 BCADHN C[C@@H]1[C@@H](C)N(CCc2cn[nH]n2)CCN1C ZINC000660167463 411275146 /nfs/dbraw/zinc/27/51/46/411275146.db2.gz FCGZMQPGYVAEGU-NXEZZACHSA-N 0 3 223.324 0.372 20 0 BCADHN CC[C@H](N)c1cn(-c2cc(C)nn2C)nn1 ZINC000656465878 411278632 /nfs/dbraw/zinc/27/86/32/411278632.db2.gz MARHTEHCAOLYEF-QMMMGPOBSA-N 0 3 220.280 0.719 20 0 BCADHN OCC(CO)NCCc1noc2ccccc12 ZINC000653734623 411278663 /nfs/dbraw/zinc/27/86/63/411278663.db2.gz OYEPEEBYMLJZQZ-UHFFFAOYSA-N 0 3 236.271 0.313 20 0 BCADHN CC[C@@H](C)N1CCN(c2ncnn2C)CC1 ZINC000653462641 411278966 /nfs/dbraw/zinc/27/89/66/411278966.db2.gz FQCZNEXVQUFDNQ-SNVBAGLBSA-N 0 3 223.324 0.736 20 0 BCADHN CC[C@@H](N)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000656467618 411279066 /nfs/dbraw/zinc/27/90/66/411279066.db2.gz QJNDCIPYEHQVHF-SZEHBUNVSA-N 0 3 226.280 0.274 20 0 BCADHN CC[C@H](N)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000656467614 411279734 /nfs/dbraw/zinc/27/97/34/411279734.db2.gz QJNDCIPYEHQVHF-FXBDTBDDSA-N 0 3 226.280 0.274 20 0 BCADHN CCC[C@H](N)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000656467354 411279752 /nfs/dbraw/zinc/27/97/52/411279752.db2.gz PUNGGNPQBCUZMG-JMJZKYOTSA-N 0 3 240.307 0.664 20 0 BCADHN CN1CCC[C@@H](NC(=O)[C@@H](N)c2ccccc2)C1 ZINC000129387842 411281604 /nfs/dbraw/zinc/28/16/04/411281604.db2.gz OPXHNOPBKYTYEH-OLZOCXBDSA-N 0 3 247.342 0.897 20 0 BCADHN CN(C)C1(CN=c2nc[nH]n2C)CCC1 ZINC000653465443 411283599 /nfs/dbraw/zinc/28/35/99/411283599.db2.gz BGCRPEDVUXDBGQ-UHFFFAOYSA-N 0 3 209.297 0.133 20 0 BCADHN CCCCN(C)C[C@@H](C)N=c1nc[nH]n1C ZINC000653468083 411288816 /nfs/dbraw/zinc/28/88/16/411288816.db2.gz IPZKJLAMRADBDE-SNVBAGLBSA-N 0 3 225.340 0.769 20 0 BCADHN C[C@H](CNC(=O)c1cnn[n-]1)C[NH+]1CCCC1 ZINC000108631931 411292953 /nfs/dbraw/zinc/29/29/53/411292953.db2.gz PJPJWDWLNREAGG-SECBINFHSA-N 0 3 237.307 0.266 20 0 BCADHN C[C@H](CNC(=O)c1c[n-]nn1)C[NH+]1CCCC1 ZINC000108631931 411292956 /nfs/dbraw/zinc/29/29/56/411292956.db2.gz PJPJWDWLNREAGG-SECBINFHSA-N 0 3 237.307 0.266 20 0 BCADHN C[C@H](CNC(=O)c1cn[n-]n1)C[NH+]1CCCC1 ZINC000108631931 411292957 /nfs/dbraw/zinc/29/29/57/411292957.db2.gz PJPJWDWLNREAGG-SECBINFHSA-N 0 3 237.307 0.266 20 0 BCADHN CCN1CCN(C[C@@]2(O)CCCOC2)C[C@H]1C ZINC000656696641 411333266 /nfs/dbraw/zinc/33/32/66/411333266.db2.gz ISNUQJACVILAGE-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN COCCCN(C)C(=O)[C@H](N)CC(C)C ZINC000062033591 411296458 /nfs/dbraw/zinc/29/64/58/411296458.db2.gz PXSBEHJWSGITAY-SNVBAGLBSA-N 0 3 216.325 0.855 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H](CO)CCF)N(C)C ZINC000652913665 411329871 /nfs/dbraw/zinc/32/98/71/411329871.db2.gz FDOWGXXAWOEDGV-ZJUUUORDSA-N 0 3 234.315 0.409 20 0 BCADHN NC(=O)CC1(CN[C@H]2CCCn3ccnc32)CC1 ZINC000655777525 411297089 /nfs/dbraw/zinc/29/70/89/411297089.db2.gz VOANIROLMDUVQO-JTQLQIEISA-N 0 3 248.330 0.963 20 0 BCADHN CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660206843 411297943 /nfs/dbraw/zinc/29/79/43/411297943.db2.gz ZQSKYIMQQOPRQL-NSHDSACASA-N 0 3 241.335 0.559 20 0 BCADHN CCN(C(=O)NCCOC)[C@H]1CCN(CC)C1 ZINC000656545441 411299995 /nfs/dbraw/zinc/29/99/95/411299995.db2.gz MPDXYINGQOQMJZ-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN O=C1C[C@@H](CN2CCC[C@@H](OC(F)F)C2)CN1 ZINC000660236425 411302074 /nfs/dbraw/zinc/30/20/74/411302074.db2.gz OSCIPRPZLHKHRA-RKDXNWHRSA-N 0 3 248.273 0.826 20 0 BCADHN NCc1noc(C[C@H]2NCc3ccccc32)n1 ZINC000656562126 411302058 /nfs/dbraw/zinc/30/20/58/411302058.db2.gz HAYHHQICKLVGNP-SNVBAGLBSA-N 0 3 230.271 0.915 20 0 BCADHN CCO[C@@H](C)c1nccn1C[C@@H]1CNCCO1 ZINC000656611283 411309856 /nfs/dbraw/zinc/30/98/56/411309856.db2.gz FEQZWOMUCHSTPD-QWRGUYRKSA-N 0 3 239.319 0.969 20 0 BCADHN C[C@H](O)[C@H]1CCCN1Cc1cncn1C ZINC000661772990 411310718 /nfs/dbraw/zinc/31/07/18/411310718.db2.gz XDGGLACWGIIECM-GXSJLCMTSA-N 0 3 209.293 0.765 20 0 BCADHN CCN1CC[C@H](N2CCC[C@H](CO)C2)C1=O ZINC000659828501 411311768 /nfs/dbraw/zinc/31/17/68/411311768.db2.gz GZLOJRDYEJIQTG-QWRGUYRKSA-N 0 3 226.320 0.312 20 0 BCADHN CC[C@H]1CN(C[C@H]2CNC(=O)C2)CCO1 ZINC000659838421 411317626 /nfs/dbraw/zinc/31/76/26/411317626.db2.gz ODVSMZWWEPRDMD-ZJUUUORDSA-N 0 3 212.293 0.233 20 0 BCADHN CNC(=O)CN(C)[C@@H]1CCO[C@H](C)C1 ZINC000659838604 411317672 /nfs/dbraw/zinc/31/76/72/411317672.db2.gz PQPRYVPUTSQCQG-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN CN1CC(=O)N(CCN2CC[C@H]3C[C@H]3C2)C1=O ZINC000661965912 411332411 /nfs/dbraw/zinc/33/24/11/411332411.db2.gz BYWFZJGYAISNHT-UWVGGRQHSA-N 0 3 237.303 0.222 20 0 BCADHN Cc1cncc(CCN2C[C@H](C)[C@H](O)C2)n1 ZINC000402900391 411321206 /nfs/dbraw/zinc/32/12/06/411321206.db2.gz KYNWNOUQPITZBA-JOYOIKCWSA-N 0 3 221.304 0.640 20 0 BCADHN Cc1cncc(CCN2CC[C@@H](O)C2)n1 ZINC000402929406 411322930 /nfs/dbraw/zinc/32/29/30/411322930.db2.gz VGPGAMJBHBILDT-LLVKDONJSA-N 0 3 207.277 0.394 20 0 BCADHN CC(C)(O)C1CN(C[C@@]2(O)CCCOC2)C1 ZINC000656699986 411324117 /nfs/dbraw/zinc/32/41/17/411324117.db2.gz OWIJZDLIVQHGQX-LBPRGKRZSA-N 0 3 229.320 0.231 20 0 BCADHN O[C@]1(CN2CC3(C2)CCCOC3)CCCOC1 ZINC000656700800 411325181 /nfs/dbraw/zinc/32/51/81/411325181.db2.gz UOWWONQQEQAEQV-ZDUSSCGKSA-N 0 3 241.331 0.640 20 0 BCADHN COCC1(C)CN(C[C@@]2(O)CCCOC2)C1 ZINC000656700557 411325215 /nfs/dbraw/zinc/32/52/15/411325215.db2.gz WFQJDIDPOQBFRI-LBPRGKRZSA-N 0 3 229.320 0.496 20 0 BCADHN Cc1n[nH]cc1CCCNC(=O)C(C)(C)N ZINC000050183128 411253607 /nfs/dbraw/zinc/25/36/07/411253607.db2.gz OKROCOQFDASQFP-UHFFFAOYSA-N 0 3 224.308 0.504 20 0 BCADHN CC(C)(C)[C@H](N)c1cn(Cc2ncon2)nn1 ZINC000656445979 411254568 /nfs/dbraw/zinc/25/45/68/411254568.db2.gz ZUYUDLVHNNHYAW-SECBINFHSA-N 0 3 236.279 0.755 20 0 BCADHN Cc1ncncc1[C@H](C)N[C@H]1C[C@@H](O)C1 ZINC000655774793 411257773 /nfs/dbraw/zinc/25/77/73/411257773.db2.gz HATNLVCGCDMYOI-LPEHRKFASA-N 0 3 207.277 0.959 20 0 BCADHN Cc1ncncc1[C@@H](C)N[C@H]1C[C@@H](O)C1 ZINC000655774792 411257798 /nfs/dbraw/zinc/25/77/98/411257798.db2.gz HATNLVCGCDMYOI-BBBLOLIVSA-N 0 3 207.277 0.959 20 0 BCADHN Nc1nc2c(c(N3CCNCC3)n1)CCCC2 ZINC000114201135 411258117 /nfs/dbraw/zinc/25/81/17/411258117.db2.gz LSGJBHZZOHCTAU-UHFFFAOYSA-N 0 3 233.319 0.347 20 0 BCADHN COC(=O)CCCNC(C)(C)C(=O)N(C)C ZINC000117341296 411259569 /nfs/dbraw/zinc/25/95/69/411259569.db2.gz PTDSBCZYDJWXMR-UHFFFAOYSA-N 0 3 230.308 0.396 20 0 BCADHN CS(=O)(=O)[C@@H]1CCCC[C@H]1N[C@H]1C[C@H](O)C1 ZINC000658348565 411349507 /nfs/dbraw/zinc/34/95/07/411349507.db2.gz CBUUHSDAMBJCPZ-GWOFURMSSA-N 0 3 247.360 0.455 20 0 BCADHN c1ncn(CCN2CC[C@@H]3COC[C@@H]3C2)n1 ZINC000662035598 411349717 /nfs/dbraw/zinc/34/97/17/411349717.db2.gz PWTFAZLDBVXMKU-MNOVXSKESA-N 0 3 222.292 0.246 20 0 BCADHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H](O)C1 ZINC000658348569 411350540 /nfs/dbraw/zinc/35/05/40/411350540.db2.gz CBUUHSDAMBJCPZ-XWLWVQCSSA-N 0 3 247.360 0.455 20 0 BCADHN c1ncn(CCN2CC[C@@H]3COC[C@H]3C2)n1 ZINC000662035597 411351037 /nfs/dbraw/zinc/35/10/37/411351037.db2.gz PWTFAZLDBVXMKU-GHMZBOCLSA-N 0 3 222.292 0.246 20 0 BCADHN CC1(C)CC[C@@H]1C(=O)NC[C@H]1CNCCO1 ZINC000659323153 411351377 /nfs/dbraw/zinc/35/13/77/411351377.db2.gz WUPPDVNAOWBIIU-NXEZZACHSA-N 0 3 226.320 0.527 20 0 BCADHN N[C@@H]1CN(S(=O)(=O)CCCF)CC[C@H]1F ZINC000658408184 411353398 /nfs/dbraw/zinc/35/33/98/411353398.db2.gz NDUAOWUYWPEUQV-HTQZYQBOSA-N 0 3 242.291 0.047 20 0 BCADHN NC[C@@H](NC(=O)CCCF)C(F)(F)F ZINC000659327813 411356620 /nfs/dbraw/zinc/35/66/20/411356620.db2.gz AOCINSMZTKVMRG-RXMQYKEDSA-N 0 3 216.178 0.742 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](C)N)[C@@H](C)CO1 ZINC000403742955 411357844 /nfs/dbraw/zinc/35/78/44/411357844.db2.gz KCHNQUGPBCOFEO-DJLDLDEBSA-N 0 3 200.282 0.360 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H](C)N)[C@H](C)CO1 ZINC000403742957 411357895 /nfs/dbraw/zinc/35/78/95/411357895.db2.gz KCHNQUGPBCOFEO-HLTSFMKQSA-N 0 3 200.282 0.360 20 0 BCADHN CO[C@H](CNC(=O)[C@@H](N)C(C)C)[C@H]1CCOC1 ZINC000658930466 411362415 /nfs/dbraw/zinc/36/24/15/411362415.db2.gz LRFSTUKAVFUUJM-AXFHLTTASA-N 0 3 244.335 0.137 20 0 BCADHN C[C@@H]1CCN(C(=O)C(C)(C)N)C[C@H](C)O1 ZINC000658955095 411363302 /nfs/dbraw/zinc/36/33/02/411363302.db2.gz IEORUNCJEFKOIB-BDAKNGLRSA-N 0 3 214.309 0.750 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@H]1CCOC1(C)C ZINC000658968724 411363989 /nfs/dbraw/zinc/36/39/89/411363989.db2.gz AHBVMAIOYQODCN-ZJUUUORDSA-N 0 3 228.336 0.901 20 0 BCADHN COC[C@@H](CN1CC[C@H](OC(F)F)C1)OC ZINC000660490124 411373645 /nfs/dbraw/zinc/37/36/45/411373645.db2.gz XDFYBYXEQYLCTI-DTWKUNHWSA-N 0 3 239.262 0.961 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H]1CCOC1(C)C ZINC000658969139 411365199 /nfs/dbraw/zinc/36/51/99/411365199.db2.gz NALNWWBUPKUPIF-QMMMGPOBSA-N 0 3 214.309 0.655 20 0 BCADHN COC[C@H](CCNC(=O)[C@@H]1NCC1(C)C)OC ZINC000659337761 411365542 /nfs/dbraw/zinc/36/55/42/411365542.db2.gz SSMIIPHXCNWQLT-UWVGGRQHSA-N 0 3 244.335 0.152 20 0 BCADHN C[C@H]1CN(Cc2cn[nH]c2)C[C@]1(C)CO ZINC000662141575 411365763 /nfs/dbraw/zinc/36/57/63/411365763.db2.gz IDBFHKOQGZPIKQ-GXSJLCMTSA-N 0 3 209.293 0.860 20 0 BCADHN CN[C@@H](C)C(=O)N(C)C1(COC)CC1 ZINC000659339280 411366706 /nfs/dbraw/zinc/36/67/06/411366706.db2.gz WKWNQFCVZNYVBT-QMMMGPOBSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H](N)C(C)C)[C@H](C)CO1 ZINC000403923721 411367404 /nfs/dbraw/zinc/36/74/04/411367404.db2.gz IWQONGKQDPRSSC-VWYCJHECSA-N 0 3 228.336 0.996 20 0 BCADHN COCc1nnc(N[C@H](C)CN(C)C)s1 ZINC000336730426 411335803 /nfs/dbraw/zinc/33/58/03/411335803.db2.gz KAZHMPZILHVCCG-SSDOTTSWSA-N 0 3 230.337 1.047 20 0 BCADHN Cn1ncc(C2CC2)c1CNCCC(N)=O ZINC000656711830 411337027 /nfs/dbraw/zinc/33/70/27/411337027.db2.gz VJJPNZRSKZZCPV-UHFFFAOYSA-N 0 3 222.292 0.263 20 0 BCADHN O=S1(=O)CCCN1CCN1CC[C@@H]2C[C@@H]2C1 ZINC000661969538 411338127 /nfs/dbraw/zinc/33/81/27/411338127.db2.gz JRBNOPRGWQKNTK-GHMZBOCLSA-N 0 3 244.360 0.364 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N[C@H](CO)CCF ZINC000652917607 411338370 /nfs/dbraw/zinc/33/83/70/411338370.db2.gz AMFWISJQDISLKQ-QWRGUYRKSA-N 0 3 246.326 0.698 20 0 BCADHN O=C1CCC(=O)N1CCN1CC[C@H]2C[C@H]2C1 ZINC000661970836 411339365 /nfs/dbraw/zinc/33/93/65/411339365.db2.gz MVYUAECNLWXIET-UWVGGRQHSA-N 0 3 222.288 0.477 20 0 BCADHN O=C(CN1CC[C@H]2C[C@H]2C1)N1CCCC1 ZINC000661975130 411341321 /nfs/dbraw/zinc/34/13/21/411341321.db2.gz XNCHTRCSWPFHJC-QWRGUYRKSA-N 0 3 208.305 0.951 20 0 BCADHN CC1(CN2CCC[C@@H]3C(=O)NC[C@H]32)COC1 ZINC000337229321 168023882 /nfs/dbraw/zinc/02/38/82/168023882.db2.gz UXHZGXBPWGCEAJ-VHSXEESVSA-N 0 3 224.304 0.233 20 0 BCADHN CC1(CN2CCN(CCO)CC2)CCC1 ZINC000308962259 168024368 /nfs/dbraw/zinc/02/43/68/168024368.db2.gz GTGFRBOHOFJHGJ-UHFFFAOYSA-N 0 3 212.337 0.787 20 0 BCADHN CC1(CN2CCC[C@@H]3C(=O)NC[C@@H]32)COC1 ZINC000337229320 168024965 /nfs/dbraw/zinc/02/49/65/168024965.db2.gz UXHZGXBPWGCEAJ-UWVGGRQHSA-N 0 3 224.304 0.233 20 0 BCADHN CC[C@H](C(=O)NCCC1(CO)CCC1)N(C)C ZINC000652934127 411349118 /nfs/dbraw/zinc/34/91/18/411349118.db2.gz TVNMNDDEUYFUHP-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN CC1(O)CCN([C@@H]2CCCNC2=O)CC1 ZINC000336647416 168067588 /nfs/dbraw/zinc/06/75/88/168067588.db2.gz MMFCOBNUYDKXPY-SECBINFHSA-N 0 3 212.293 0.112 20 0 BCADHN Cn1cc(CNCC[C@]2(O)CCOC2)cn1 ZINC000404186404 411380056 /nfs/dbraw/zinc/38/00/56/411380056.db2.gz JJWNFEAZKIVVRY-NSHDSACASA-N 0 3 225.292 0.051 20 0 BCADHN COC[C@@H](CN(C)[C@@H]1CCOC1)OC ZINC000659908768 411380499 /nfs/dbraw/zinc/38/04/99/411380499.db2.gz SIXWPAVUKOJBKL-NXEZZACHSA-N 0 3 203.282 0.369 20 0 BCADHN CC1=C[C@@H](C)CN(CCN2CCNC2=O)C1 ZINC000336390233 168123537 /nfs/dbraw/zinc/12/35/37/168123537.db2.gz FYXBKDFLSKYNMH-SNVBAGLBSA-N 0 3 223.320 0.910 20 0 BCADHN COC[C@H](CN(C)[C@H]1CCOC1)OC ZINC000659908770 411380896 /nfs/dbraw/zinc/38/08/96/411380896.db2.gz SIXWPAVUKOJBKL-UWVGGRQHSA-N 0 3 203.282 0.369 20 0 BCADHN CO[C@@H](CN(CCO)CCCO)C1CCCC1 ZINC000659916223 411381241 /nfs/dbraw/zinc/38/12/41/411381241.db2.gz XJSMEZXKTROICV-ZDUSSCGKSA-N 0 3 245.363 0.868 20 0 BCADHN NC1(C(=O)NC[C@H]2CCCO2)CC2(CCC2)C1 ZINC000659250766 411381321 /nfs/dbraw/zinc/38/13/21/411381321.db2.gz VBDZTXSJZDQXRD-SNVBAGLBSA-N 0 3 238.331 0.943 20 0 BCADHN CC1CC(NC(=O)N(C)CCN(C)C)C1 ZINC000356018712 168140182 /nfs/dbraw/zinc/14/01/82/168140182.db2.gz FJDXTLSEOQBWOH-UHFFFAOYSA-N 0 3 213.325 0.988 20 0 BCADHN CC1CC(NC(=O)NC[C@H]2CNCCO2)C1 ZINC000333431636 168142690 /nfs/dbraw/zinc/14/26/90/168142690.db2.gz UQXGQPHTJQFDFK-UDNWOFFPSA-N 0 3 227.308 0.073 20 0 BCADHN CC(C)(C)N1CC[C@H]1CN1C(=O)CNC1=O ZINC000656821485 411375529 /nfs/dbraw/zinc/37/55/29/411375529.db2.gz JPOJBXNSWVFPFF-QMMMGPOBSA-N 0 3 225.292 0.411 20 0 BCADHN CC(C)(C)N1CC[C@@H]1CN1C(=O)CNC1=O ZINC000656821484 411375617 /nfs/dbraw/zinc/37/56/17/411375617.db2.gz JPOJBXNSWVFPFF-MRVPVSSYSA-N 0 3 225.292 0.411 20 0 BCADHN C[C@@H]1NC(=O)N(C[C@@H]2CCN2C(C)(C)C)C1=O ZINC000656820774 411375733 /nfs/dbraw/zinc/37/57/33/411375733.db2.gz FXHOWBARAMWLQB-IUCAKERBSA-N 0 3 239.319 0.800 20 0 BCADHN C[C@@H]1NC(=O)N(C[C@H]2CCN2C(C)(C)C)C1=O ZINC000656820772 411375761 /nfs/dbraw/zinc/37/57/61/411375761.db2.gz FXHOWBARAMWLQB-DTWKUNHWSA-N 0 3 239.319 0.800 20 0 BCADHN CC1CCC(O)(CN2CCC[C@H]2C(N)=O)CC1 ZINC000305136645 168167061 /nfs/dbraw/zinc/16/70/61/168167061.db2.gz GKIFTQWADWECDS-AKJDGMEZSA-N 0 3 240.347 0.877 20 0 BCADHN Cc1nccn1CCn1cc(CNC2CC2)nn1 ZINC000052576119 411376279 /nfs/dbraw/zinc/37/62/79/411376279.db2.gz JEDAOVZULOGJJC-UHFFFAOYSA-N 0 3 246.318 0.735 20 0 BCADHN CC1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000091973024 168174141 /nfs/dbraw/zinc/17/41/41/168174141.db2.gz ZYWOAJVVORFUIR-NSHDSACASA-N 0 3 241.335 0.416 20 0 BCADHN CC1CCN(CCN(C)[C@@H]2COC[C@H]2O)CC1 ZINC000352801674 168179799 /nfs/dbraw/zinc/17/97/99/168179799.db2.gz TXXOJUCYDYRBEH-CHWSQXEVSA-N 0 3 242.363 0.410 20 0 BCADHN CN[C@@H](C)C(=O)NCc1nccc(OC)c1F ZINC000659360993 411376688 /nfs/dbraw/zinc/37/66/88/411376688.db2.gz JVSHSYISIWWKME-ZETCQYMHSA-N 0 3 241.266 0.453 20 0 BCADHN CNCC(=O)N[C@@H]1C[C@H]1c1ccccc1OC ZINC000659373271 411387882 /nfs/dbraw/zinc/38/78/82/411387882.db2.gz PYLLENVFQCHOOF-WDEREUQCSA-N 0 3 234.299 0.887 20 0 BCADHN C[C@@H](CNS(C)(=O)=O)N1CCC(C)CC1 ZINC000036077891 168185352 /nfs/dbraw/zinc/18/53/52/168185352.db2.gz ZOOWYABCEPOTTH-JTQLQIEISA-N 0 3 234.365 0.656 20 0 BCADHN CN(C)CC(=O)N(C)CCN1CCCCC1 ZINC000652988671 411389276 /nfs/dbraw/zinc/38/92/76/411389276.db2.gz DOROOTXCMBPQNK-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN C[C@@H]1CCN(C(=O)CN2CCNCC2)C[C@H]1C ZINC000129783995 411390655 /nfs/dbraw/zinc/39/06/55/411390655.db2.gz FWTLEIMHGIYLEG-VXGBXAGGSA-N 0 3 239.363 0.396 20 0 BCADHN CCC(=O)N1CCN(Cc2cn[nH]c2C)C1 ZINC000333428668 168221342 /nfs/dbraw/zinc/22/13/42/168221342.db2.gz KPCSDUDENZWPSG-UHFFFAOYSA-N 0 3 222.292 0.730 20 0 BCADHN CCC(=O)N1CC[C@H](NCc2cncn2C)C1 ZINC000330694806 168224010 /nfs/dbraw/zinc/22/40/10/168224010.db2.gz ZAMBKQMELCTGNK-JTQLQIEISA-N 0 3 236.319 0.521 20 0 BCADHN CCC(=O)NCCCN1CCN(CC)CC1 ZINC000041443476 168228053 /nfs/dbraw/zinc/22/80/53/168228053.db2.gz BGITWEBKOMSART-UHFFFAOYSA-N 0 3 227.352 0.540 20 0 BCADHN CCC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000337734268 168228594 /nfs/dbraw/zinc/22/85/94/168228594.db2.gz OTIJSUBMHSCYAO-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN CCC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000304001325 168230959 /nfs/dbraw/zinc/23/09/59/168230959.db2.gz REMKPCGVYBYDGF-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN O[C@@]1(CCNCc2ccccn2)CCOC1 ZINC000404200825 411382697 /nfs/dbraw/zinc/38/26/97/411382697.db2.gz PNPICHDVVKEVAD-LBPRGKRZSA-N 0 3 222.288 0.713 20 0 BCADHN CCC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000122095615 168231471 /nfs/dbraw/zinc/23/14/71/168231471.db2.gz TWJUKZQBKBVTEU-NSHDSACASA-N 0 3 227.352 0.396 20 0 BCADHN CCC(=O)NC[C@@H]1CCCCN1CCO ZINC000331286314 168231632 /nfs/dbraw/zinc/23/16/32/168231632.db2.gz ABTGBECLZOORRV-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN CCC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000304001326 168231897 /nfs/dbraw/zinc/23/18/97/168231897.db2.gz REMKPCGVYBYDGF-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN Cc1n[nH]cc1CCCNC(=O)[C@@H](N)C(C)C ZINC000050183090 411383614 /nfs/dbraw/zinc/38/36/14/411383614.db2.gz BXIOLJRNSDFREZ-NSHDSACASA-N 0 3 238.335 0.750 20 0 BCADHN COC[C@H](CN(C)CCN1CCCC1=O)OC ZINC000659925738 411384128 /nfs/dbraw/zinc/38/41/28/411384128.db2.gz HHYBRERELFTREZ-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN C[C@H](NCC[C@@]1(O)CCOC1)c1cnccn1 ZINC000404227274 411384368 /nfs/dbraw/zinc/38/43/68/411384368.db2.gz MGLSZPVZFCPXJQ-CMPLNLGQSA-N 0 3 237.303 0.669 20 0 BCADHN C[C@H](NC(=O)C[C@H]1NCc2ccccc21)C(N)=O ZINC000659267266 411384738 /nfs/dbraw/zinc/38/47/38/411384738.db2.gz YTHNWSGBUWIFMV-GZMMTYOYSA-N 0 3 247.298 0.211 20 0 BCADHN CCN(CC(C)(C)O)[C@H]1CCN(CC)C1=O ZINC000659929794 411384783 /nfs/dbraw/zinc/38/47/83/411384783.db2.gz VMXPBMNZKARSGQ-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN NC1(C(=O)NCC(=O)Nc2ccccc2)CCC1 ZINC000645633797 411385240 /nfs/dbraw/zinc/38/52/40/411385240.db2.gz HWKCXLIBTAAPJJ-UHFFFAOYSA-N 0 3 247.298 0.623 20 0 BCADHN CC(C)NCC(=O)N1CC[C@]2(CCOC2)C1 ZINC000659281345 411386695 /nfs/dbraw/zinc/38/66/95/411386695.db2.gz JAHOKTPKUHPTAC-LBPRGKRZSA-N 0 3 226.320 0.623 20 0 BCADHN CCC(C)(C)NC(=O)CNCCOC ZINC000042211602 168290403 /nfs/dbraw/zinc/29/04/03/168290403.db2.gz FULVSNXPQSERMT-UHFFFAOYSA-N 0 3 202.298 0.527 20 0 BCADHN CCC(C)(C)NC(=O)CN1CC[C@@H](C)[C@H]1CO ZINC000248975417 168290436 /nfs/dbraw/zinc/29/04/36/168290436.db2.gz 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411422841 /nfs/dbraw/zinc/42/28/41/411422841.db2.gz WVYNSZDFHQJKFY-VHSXEESVSA-N 0 3 241.335 0.245 20 0 BCADHN CCC(=O)N[C@H](C)C(=O)NC(C)(C)CN(C)C ZINC000654660606 411424340 /nfs/dbraw/zinc/42/43/40/411424340.db2.gz OWAMDJBCUCLLOY-SECBINFHSA-N 0 3 243.351 0.358 20 0 BCADHN CCN1CCN(CC[C@@H]2CCNC2=O)C[C@H]1C ZINC000653589658 411426215 /nfs/dbraw/zinc/42/62/15/411426215.db2.gz VRSMMDSWEIJZDM-NEPJUHHUSA-N 0 3 239.363 0.539 20 0 BCADHN COCC1(CNC(=O)N(C)CCN(C)C)CC1 ZINC000654689827 411429325 /nfs/dbraw/zinc/42/93/25/411429325.db2.gz OGUSCNXNCLDPCT-UHFFFAOYSA-N 0 3 243.351 0.616 20 0 BCADHN CC(C)(F)CCNC(=O)NC[C@@H]1CNCCO1 ZINC000659554807 411435498 /nfs/dbraw/zinc/43/54/98/411435498.db2.gz NSUNIISRTYMTAK-VIFPVBQESA-N 0 3 247.314 0.412 20 0 BCADHN COCCN(C)C[C@H](O)CN1CC=CCC1 ZINC000653609870 411438379 /nfs/dbraw/zinc/43/83/79/411438379.db2.gz HWBLSEQLTLULKV-LBPRGKRZSA-N 0 3 228.336 0.187 20 0 BCADHN CO[C@H](C)CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659569653 411438629 /nfs/dbraw/zinc/43/86/29/411438629.db2.gz LRQXRBGROWOEKH-IWSPIJDZSA-N 0 3 233.287 0.102 20 0 BCADHN C[C@@H](O)CNCc1c(C(F)(F)F)cnn1C ZINC000657284037 411443089 /nfs/dbraw/zinc/44/30/89/411443089.db2.gz LSDDZYLQNRLFPU-ZCFIWIBFSA-N 0 3 237.225 0.909 20 0 BCADHN CC[C@@H](CO)NCc1cnc2n1CCC2 ZINC000657287866 411447229 /nfs/dbraw/zinc/44/72/29/411447229.db2.gz YZEXIUCPEGNYTN-VIFPVBQESA-N 0 3 209.293 0.690 20 0 BCADHN CCN[C@H](C)C(=O)NCCC(=O)N[C@H](C)CC ZINC000637936996 411447662 /nfs/dbraw/zinc/44/76/62/411447662.db2.gz QQDKLJFTTKNYIK-NXEZZACHSA-N 0 3 243.351 0.405 20 0 BCADHN C[C@H]1CCN(CC(=O)NCc2c[nH]cn2)C1 ZINC000654819372 411450249 /nfs/dbraw/zinc/45/02/49/411450249.db2.gz GQJSOJCQZWIPFD-VIFPVBQESA-N 0 3 222.292 0.368 20 0 BCADHN C[C@H]1CCN(CC(=O)NCc2cnc[nH]2)C1 ZINC000654819372 411450252 /nfs/dbraw/zinc/45/02/52/411450252.db2.gz GQJSOJCQZWIPFD-VIFPVBQESA-N 0 3 222.292 0.368 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000637962083 411451548 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CRXBDURVESACQL-VXGBXAGGSA-N 0 3 234.299 0.634 20 0 BCADHN CC[C@@H]1C[C@H](N[C@H]2CCCNC2=O)CO1 ZINC000657337971 411473086 /nfs/dbraw/zinc/47/30/86/411473086.db2.gz OKFLDCPVDPBPLO-AEJSXWLSSA-N 0 3 212.293 0.422 20 0 BCADHN CNC(=O)NC(=O)CN1CC[C@H](C)C[C@@H](C)C1 ZINC000127202749 411474555 /nfs/dbraw/zinc/47/45/55/411474555.db2.gz KWGCFSCURMSRCY-VHSXEESVSA-N 0 3 241.335 0.810 20 0 BCADHN Cc1ccc(CNC[C@@H](O)Cn2cccn2)o1 ZINC000053037363 411474870 /nfs/dbraw/zinc/47/48/70/411474870.db2.gz KAQVWJRCORYNLA-LLVKDONJSA-N 0 3 235.287 0.935 20 0 BCADHN C[C@@H](CNCc1cc2n(n1)CCC2)N(C)C ZINC000657347537 411475306 /nfs/dbraw/zinc/47/53/06/411475306.db2.gz AXMSIZALOYFFNL-JTQLQIEISA-N 0 3 222.336 0.869 20 0 BCADHN COCCN(C)C[C@@H](OC)[C@@H]1CCOC1 ZINC000659848658 411476149 /nfs/dbraw/zinc/47/61/49/411476149.db2.gz GLMHLZIJHHYOBM-GHMZBOCLSA-N 0 3 217.309 0.616 20 0 BCADHN COCCN(C)C[C@H](OC)[C@@H]1CCOC1 ZINC000659848660 411476460 /nfs/dbraw/zinc/47/64/60/411476460.db2.gz GLMHLZIJHHYOBM-MNOVXSKESA-N 0 3 217.309 0.616 20 0 BCADHN C[C@H]1SCC[C@H]1NC(=O)C1(N)CCC1 ZINC000307523954 411476971 /nfs/dbraw/zinc/47/69/71/411476971.db2.gz DHVBVIZWUNAHOY-HTQZYQBOSA-N 0 3 214.334 0.878 20 0 BCADHN CC[C@](C)(CO)C(=O)NCC1(N(C)C)CCC1 ZINC000655017941 411477964 /nfs/dbraw/zinc/47/79/64/411477964.db2.gz NZROFDAFWZLMFY-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@H](O)C2)C1 ZINC000655022837 411479910 /nfs/dbraw/zinc/47/99/10/411479910.db2.gz GGUBYRCPWBDYIU-WOPDTQHZSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H](O)CCNCc1cnn2c1CCC2 ZINC000657362270 411480723 /nfs/dbraw/zinc/48/07/23/411480723.db2.gz SCEKHBQZOFEZKT-SECBINFHSA-N 0 3 209.293 0.690 20 0 BCADHN NS(=O)(=O)C[C@H]1CCCN1CCC1CCC1 ZINC000660075191 411533235 /nfs/dbraw/zinc/53/32/35/411533235.db2.gz CPBGSQSNEQLXNO-LLVKDONJSA-N 0 3 246.376 0.930 20 0 BCADHN NC(=O)[C@H]1CN(CC2CC=CC2)CCO1 ZINC000659863143 411481304 /nfs/dbraw/zinc/48/13/04/411481304.db2.gz GOVJYQQSYNATOZ-SNVBAGLBSA-N 0 3 210.277 0.139 20 0 BCADHN COC[C@](C)(O)CNCc1cnn2c1CCC2 ZINC000657373675 411482863 /nfs/dbraw/zinc/48/28/63/411482863.db2.gz ZBGUXFRJGXKWRG-GFCCVEGCSA-N 0 3 239.319 0.316 20 0 BCADHN COC[C@@](C)(O)CNCc1cnc2n1CCC2 ZINC000657369207 411483487 /nfs/dbraw/zinc/48/34/87/411483487.db2.gz AMNCILRMZJMERH-LBPRGKRZSA-N 0 3 239.319 0.316 20 0 BCADHN COC[C@@H](CCO)NCc1cnc2n1CCC2 ZINC000657370502 411483882 /nfs/dbraw/zinc/48/38/82/411483882.db2.gz OOYDZTPAMVTDQO-SNVBAGLBSA-N 0 3 239.319 0.316 20 0 BCADHN CC[C@@H](COC)NCc1cnnn1CC ZINC000657371174 411484385 /nfs/dbraw/zinc/48/43/85/411484385.db2.gz OWNXVAHLIIAVDF-VIFPVBQESA-N 0 3 212.297 0.813 20 0 BCADHN COCCNCCNC(=O)N[C@@]12C[C@@H]1CCC2 ZINC000659526940 411484747 /nfs/dbraw/zinc/48/47/47/411484747.db2.gz HCAOOHGKVFNPPB-JQWIXIFHSA-N 0 3 241.335 0.464 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H](CCO)COC)CO1 ZINC000657371099 411484889 /nfs/dbraw/zinc/48/48/89/411484889.db2.gz TVOJBUWLZPZYQO-GARJFASQSA-N 0 3 217.309 0.541 20 0 BCADHN C[C@@H](NCc1cnn2c1CCC2)[C@H](C)CO ZINC000657371781 411484984 /nfs/dbraw/zinc/48/49/84/411484984.db2.gz MYONXPXHSAIDOQ-NXEZZACHSA-N 0 3 223.320 0.936 20 0 BCADHN CN1C[C@H](NCc2cnc3n2CCC3)CCC1=O ZINC000657371153 411485092 /nfs/dbraw/zinc/48/50/92/411485092.db2.gz OOSDQSYDKCLCGZ-SNVBAGLBSA-N 0 3 248.330 0.540 20 0 BCADHN CNC(=O)CCN(C)CCO[C@H]1CC1(F)F ZINC000659873940 411485511 /nfs/dbraw/zinc/48/55/11/411485511.db2.gz SXGSJKLHNDFQFI-QMMMGPOBSA-N 0 3 236.262 0.479 20 0 BCADHN C[C@@H](CO)NCc1c(C(F)(F)F)cnn1C ZINC000657378898 411487290 /nfs/dbraw/zinc/48/72/90/411487290.db2.gz OSICUYDAQAJZDI-LURJTMIESA-N 0 3 237.225 0.909 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000657385612 411488917 /nfs/dbraw/zinc/48/89/17/411488917.db2.gz HKQSBLWXZNTKHL-ADEWGFFLSA-N 0 3 240.347 0.733 20 0 BCADHN Oc1cccc(CNC[C@@H]2CNCCO2)c1 ZINC000415094606 411490530 /nfs/dbraw/zinc/49/05/30/411490530.db2.gz KLBOJQBKZZLCNK-LBPRGKRZSA-N 0 3 222.288 0.470 20 0 BCADHN COC[C@@](C)(CCO)NCc1cnc(C)n1C ZINC000657390082 411491599 /nfs/dbraw/zinc/49/15/99/411491599.db2.gz SLHLAYKFGHARBB-GFCCVEGCSA-N 0 3 241.335 0.606 20 0 BCADHN CN(C[C@@H]1CN(C)CCO1)[C@H]1COC(C)(C)C1 ZINC000659899504 411491906 /nfs/dbraw/zinc/49/19/06/411491906.db2.gz IZSZAOLGBHLMSL-NEPJUHHUSA-N 0 3 242.363 0.816 20 0 BCADHN CCN1CC[C@H](N2CCC(CCO)CC2)C1=O ZINC000659907020 411494029 /nfs/dbraw/zinc/49/40/29/411494029.db2.gz VITAZHWIOAMFGD-LBPRGKRZSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1(F)F ZINC000655095740 411494140 /nfs/dbraw/zinc/49/41/40/411494140.db2.gz RPTUYHYECQFESJ-JBDRJPRFSA-N 0 3 248.273 0.021 20 0 BCADHN CN(C)[C@H]1CN(C(=O)C(C)(C)C2CC2)C[C@@H]1O ZINC000655096076 411494277 /nfs/dbraw/zinc/49/42/77/411494277.db2.gz MYKWJBWSQSPRBF-QWRGUYRKSA-N 0 3 240.347 0.556 20 0 BCADHN CCC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000655094473 411494422 /nfs/dbraw/zinc/49/44/22/411494422.db2.gz JFAYUCKOPSMQEZ-QWRGUYRKSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@](C)(CO)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000655104714 411496138 /nfs/dbraw/zinc/49/61/38/411496138.db2.gz MKTMIDSLPMNTEB-DMDPSCGWSA-N 0 3 240.347 0.558 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H](C)CCS(C)(=O)=O)CO1 ZINC000657401263 411496740 /nfs/dbraw/zinc/49/67/40/411496740.db2.gz UIADFWWWWDRGKG-GARJFASQSA-N 0 3 249.376 0.967 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2CNC(=O)C2)C[C@@H](C)O1 ZINC000659917786 411497790 /nfs/dbraw/zinc/49/77/90/411497790.db2.gz IJXRDTBYVCWFRL-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2CNC(=O)C2)C[C@H](C)O1 ZINC000659917781 411497840 /nfs/dbraw/zinc/49/78/40/411497840.db2.gz IJXRDTBYVCWFRL-GARJFASQSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1ncc(CN[C@H](CO)CC2CC2)n1C ZINC000657415727 411499783 /nfs/dbraw/zinc/49/97/83/411499783.db2.gz GTUMCDIFIFZMJE-NSHDSACASA-N 0 3 223.320 0.979 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CC[C@@H](F)C2)C1 ZINC000655127289 411500511 /nfs/dbraw/zinc/50/05/11/411500511.db2.gz DMMRPXONGDXNHH-VHSXEESVSA-N 0 3 214.284 0.899 20 0 BCADHN COC[C@H](CN1CCC[C@H](OCCO)C1)OC ZINC000659932253 411501323 /nfs/dbraw/zinc/50/13/23/411501323.db2.gz YEGOJLXTIKAWCJ-RYUDHWBXSA-N 0 3 247.335 0.121 20 0 BCADHN CN1CCC[C@@H](NC(=O)NC2(CCO)CC2)C1 ZINC000655132388 411501759 /nfs/dbraw/zinc/50/17/59/411501759.db2.gz MPIWMKMUFXCYQA-SNVBAGLBSA-N 0 3 241.335 0.295 20 0 BCADHN Cc1cccc(CN(C)C[C@H]2CNC(=O)C2)n1 ZINC000660080540 411534391 /nfs/dbraw/zinc/53/43/91/411534391.db2.gz LUTVEAHZXMNXBY-LLVKDONJSA-N 0 3 233.315 0.958 20 0 BCADHN COCCC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000655145201 411504763 /nfs/dbraw/zinc/50/47/63/411504763.db2.gz ZBDNRYYCTLXAST-LLVKDONJSA-N 0 3 240.347 0.823 20 0 BCADHN CCO[C@H]1CCCN(CCc2cn[nH]n2)C1 ZINC000659943407 411505910 /nfs/dbraw/zinc/50/59/10/411505910.db2.gz UFSTVQIDPRTVEB-NSHDSACASA-N 0 3 224.308 0.848 20 0 BCADHN CC[C@H]1C[C@H](NCC(=O)N(C)CC)CO1 ZINC000657439481 411508040 /nfs/dbraw/zinc/50/80/40/411508040.db2.gz HPMFFVJMEDTZGZ-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)n1ccnc1CNCCCOCCO ZINC000657430604 411508201 /nfs/dbraw/zinc/50/82/01/411508201.db2.gz RYHKCHBKJAIEPL-UHFFFAOYSA-N 0 3 241.335 0.953 20 0 BCADHN CN(CCN1CCCCC1)C(=O)C(C)(C)CO ZINC000655167098 411509113 /nfs/dbraw/zinc/50/91/13/411509113.db2.gz RFBFCMVAMVPXDP-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN Cc1c[nH]nc1CN[C@@H]1CCc2c(nnn2C)C1 ZINC000655841570 411534713 /nfs/dbraw/zinc/53/47/13/411534713.db2.gz YVYCJIRNJYSLSP-SECBINFHSA-N 0 3 246.318 0.494 20 0 BCADHN CCN1CC[C@@H](N2CCC[C@](C)(O)CC2)C1=O ZINC000660442528 411511715 /nfs/dbraw/zinc/51/17/15/411511715.db2.gz BFULTRZHTFCORQ-YPMHNXCESA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)N(C)CC(=O)NCC1(CCO)CC1 ZINC000187986244 411512150 /nfs/dbraw/zinc/51/21/50/411512150.db2.gz VALRVUAMUQETID-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN Cc1ncc(CNC[C@@H]2CC[C@@H](O)C2)n1C ZINC000657445814 411512897 /nfs/dbraw/zinc/51/28/97/411512897.db2.gz LBYHDNOHAWNZDB-ZYHUDNBSSA-N 0 3 223.320 0.979 20 0 BCADHN O=C1CCC[C@H](CNCc2cnc3n2CCC3)N1 ZINC000657453151 411514831 /nfs/dbraw/zinc/51/48/31/411514831.db2.gz WFSPLJJZNYKLAG-SNVBAGLBSA-N 0 3 248.330 0.588 20 0 BCADHN Cn1ncc(C2CCC2)c1CNC[C@@H](O)CO ZINC000657453935 411514901 /nfs/dbraw/zinc/51/49/01/411514901.db2.gz FHVJSFRQEPUFRY-SNVBAGLBSA-N 0 3 239.319 0.130 20 0 BCADHN CO[C@@](C)(CO)CN[C@H](C)c1ccnn1C ZINC000655795720 411515632 /nfs/dbraw/zinc/51/56/32/411515632.db2.gz FIOLAYOHGOHSRK-MWLCHTKSSA-N 0 3 227.308 0.468 20 0 BCADHN CO[C@@](C)(CO)CN[C@@H](C)c1cncnc1C ZINC000655794947 411516100 /nfs/dbraw/zinc/51/61/00/411516100.db2.gz AJAOLURHAOMQBJ-JOYOIKCWSA-N 0 3 239.319 0.833 20 0 BCADHN CC[C@@H]1C[C@H](NCC(=O)NCC(F)F)CO1 ZINC000657455952 411516662 /nfs/dbraw/zinc/51/66/62/411516662.db2.gz VMRJLURCDVYIQD-JGVFFNPUSA-N 0 3 236.262 0.525 20 0 BCADHN CC[C@@H]1C[C@@H](NCC2(S(C)(=O)=O)CC2)CO1 ZINC000657456666 411517714 /nfs/dbraw/zinc/51/77/14/411517714.db2.gz JEJWZFLDOJQRMG-NXEZZACHSA-N 0 3 247.360 0.721 20 0 BCADHN N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCOC1 ZINC000131401098 411518750 /nfs/dbraw/zinc/51/87/50/411518750.db2.gz SCRNVJWUVRFOHI-VXGBXAGGSA-N 0 3 234.299 0.462 20 0 BCADHN CCN1CC[C@@H](N2CC[C@@](C)(O)C2)C1=O ZINC000659985681 411520184 /nfs/dbraw/zinc/52/01/84/411520184.db2.gz QALDIWXFFWXADT-MWLCHTKSSA-N 0 3 212.293 0.064 20 0 BCADHN CO[C@@](C)(CO)CNCC1=CCCOC1 ZINC000655806476 411520572 /nfs/dbraw/zinc/52/05/72/411520572.db2.gz AMOWCJWPMQTYDT-LLVKDONJSA-N 0 3 215.293 0.320 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H](CO)COC)CO1 ZINC000657457286 411520623 /nfs/dbraw/zinc/52/06/23/411520623.db2.gz TWRLHBFKUHVXEY-KXUCPTDWSA-N 0 3 203.282 0.151 20 0 BCADHN COc1ccc(CNC[C@](C)(CO)OC)cn1 ZINC000655807370 411521048 /nfs/dbraw/zinc/52/10/48/411521048.db2.gz KAHMAKXXGCUOLY-GFCCVEGCSA-N 0 3 240.303 0.577 20 0 BCADHN COCc1csc(CNC[C@](C)(O)CO)c1 ZINC000657457210 411521211 /nfs/dbraw/zinc/52/12/11/411521211.db2.gz HZRHFYPHYPQWRL-NSHDSACASA-N 0 3 245.344 0.727 20 0 BCADHN C[C@@H]1NC(=O)CC[C@H]1NCc1cnn2c1CCC2 ZINC000657458126 411522053 /nfs/dbraw/zinc/52/20/53/411522053.db2.gz IXULXBDNCUSHQV-GXSJLCMTSA-N 0 3 248.330 0.586 20 0 BCADHN CO[C@](C)(CO)CNCc1c[nH]nc1C ZINC000655809340 411522129 /nfs/dbraw/zinc/52/21/29/411522129.db2.gz XUIZCPYZBBXSDK-JTQLQIEISA-N 0 3 213.281 0.205 20 0 BCADHN CC[C@H]1C[C@@H](NC2COCCOC2)CO1 ZINC000657472542 411522916 /nfs/dbraw/zinc/52/29/16/411522916.db2.gz URZHDVWBRHRNBB-KOLCDFICSA-N 0 3 215.293 0.559 20 0 BCADHN CC[C@H]1C[C@H](NC2COCCOC2)CO1 ZINC000657472544 411523390 /nfs/dbraw/zinc/52/33/90/411523390.db2.gz URZHDVWBRHRNBB-ONGXEEELSA-N 0 3 215.293 0.559 20 0 BCADHN Cc1c[nH]c(CNCCc2cn[nH]c2)n1 ZINC000657471543 411523398 /nfs/dbraw/zinc/52/33/98/411523398.db2.gz XRJDMQRQDLNXMY-UHFFFAOYSA-N 0 3 205.265 0.774 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H]2CCC(=O)N(C)C2=O)CO1 ZINC000657495694 411535097 /nfs/dbraw/zinc/53/50/97/411535097.db2.gz DOEQODDQLDZQQX-IVZWLZJFSA-N 0 3 240.303 0.291 20 0 BCADHN CCN1CC[C@H](N(C)CC(C)(C)OC)C1=O ZINC000660000439 411525224 /nfs/dbraw/zinc/52/52/24/411525224.db2.gz AGGYEUKFSFLMNT-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN OCCCN1CCC[C@H](NCc2cn[nH]c2)C1 ZINC000657480631 411526961 /nfs/dbraw/zinc/52/69/61/411526961.db2.gz QXNLPGYFULJHCA-LBPRGKRZSA-N 0 3 238.335 0.346 20 0 BCADHN CNC(=O)C[C@H](C)NCc1cnn2c1CCC2 ZINC000657483717 411528932 /nfs/dbraw/zinc/52/89/32/411528932.db2.gz ODTRKEGPPZEJKZ-VIFPVBQESA-N 0 3 236.319 0.444 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H]1CO[C@@H](CC)C1 ZINC000657484128 411529045 /nfs/dbraw/zinc/52/90/45/411529045.db2.gz CWIFANPYKZGCPO-NNYUYHANSA-N 0 3 229.320 0.947 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H]1CCS[C@H]1C ZINC000307111670 411465233 /nfs/dbraw/zinc/46/52/33/411465233.db2.gz NWRVNNBJGNIZQL-XHNCKOQMSA-N 0 3 216.350 0.980 20 0 BCADHN COC[C@@H](CN1CCN(C(C)C)CC1)OC ZINC000659827014 411465384 /nfs/dbraw/zinc/46/53/84/411465384.db2.gz PSTMFTQWMDQPLS-GFCCVEGCSA-N 0 3 230.352 0.674 20 0 BCADHN CCN1CC[C@@H](NC(=O)N[C@H]2CCCOC2)C1 ZINC000334043816 170013262 /nfs/dbraw/zinc/01/32/62/170013262.db2.gz PIIRSQROBHRSFU-MNOVXSKESA-N 0 3 241.335 0.559 20 0 BCADHN CCN1CC[C@@H]2OCCN(CCCOC)[C@@H]2C1 ZINC000339395346 170013888 /nfs/dbraw/zinc/01/38/88/170013888.db2.gz KJTYSMHQIWHFTB-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN Cn1cc(CN[C@H]2CCCN3CCCC[C@H]23)nn1 ZINC000655857882 411539062 /nfs/dbraw/zinc/53/90/62/411539062.db2.gz VFBNEOMNSAOVBR-QWHCGFSZSA-N 0 3 249.362 0.922 20 0 BCADHN CCn1cnc2c(c1=O)CCN(CC)C2 ZINC000286311084 170024263 /nfs/dbraw/zinc/02/42/63/170024263.db2.gz WEYONTCUUFHQND-UHFFFAOYSA-N 0 3 207.277 0.641 20 0 BCADHN CCN1C[C@@H](C)N(CCOCCO)C[C@@H]1C ZINC000346207072 170028412 /nfs/dbraw/zinc/02/84/12/170028412.db2.gz MPUWCALRGNJLCR-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN CCN1C[C@@H](C)[C@H](NCc2ncn(C)n2)C1 ZINC000336777394 170031702 /nfs/dbraw/zinc/03/17/02/170031702.db2.gz IHVVEXWIVCLZOP-NXEZZACHSA-N 0 3 223.324 0.245 20 0 BCADHN CCN1C[C@H](C)N(CCCNC(C)=O)C[C@@H]1C ZINC000346186567 170033254 /nfs/dbraw/zinc/03/32/54/170033254.db2.gz MHQXWLCUORHRHF-RYUDHWBXSA-N 0 3 241.379 0.927 20 0 BCADHN CCN1C[C@H](C)N(C[C@H](O)COC)C[C@H]1C ZINC000346165381 170033351 /nfs/dbraw/zinc/03/33/51/170033351.db2.gz AOISZWFCDOZYFI-WOPDTQHZSA-N 0 3 230.352 0.408 20 0 BCADHN CCN1C[C@H](N[C@H](C)c2nncn2C)[C@@H](C)C1 ZINC000361114320 170037100 /nfs/dbraw/zinc/03/71/00/170037100.db2.gz ROSLFPRLPKVVNH-AXFHLTTASA-N 0 3 237.351 0.806 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CN(CC)C[C@@H]1C ZINC000309956581 170037120 /nfs/dbraw/zinc/03/71/20/170037120.db2.gz IQIQPRMFYVNXGV-WDEREUQCSA-N 0 3 227.352 0.395 20 0 BCADHN CCN1C[C@H](C)[C@H](NC[C@@H](O)C(F)(F)F)C1 ZINC000309486534 170038177 /nfs/dbraw/zinc/03/81/77/170038177.db2.gz VQZPYKXATYWIMD-DJLDLDEBSA-N 0 3 240.269 0.839 20 0 BCADHN CCN1C[C@H](C)[C@H](N[C@H]2CCCN(C)C2=O)C1 ZINC000361969625 170039577 /nfs/dbraw/zinc/03/95/77/170039577.db2.gz CEGUZYHDLRIJFT-SDDRHHMPSA-N 0 3 239.363 0.537 20 0 BCADHN CCNC(=O)C1=NO[C@@]2(C1)CCCNC2 ZINC000096268872 170043660 /nfs/dbraw/zinc/04/36/60/170043660.db2.gz DHNGGKJMSRXTQM-SNVBAGLBSA-N 0 3 211.265 0.021 20 0 BCADHN CCNC(=O)CC(=O)N(C)CCN1CCCC1 ZINC000330748081 170044467 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CCOC(=O)[C@@H](C)[C@H](C)NCc1cnnn1C ZINC000289622968 170249327 /nfs/dbraw/zinc/24/93/27/170249327.db2.gz VFSYBEQDGRIQAF-IUCAKERBSA-N 0 3 240.307 0.492 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC1CCCCC1 ZINC000657601556 411558444 /nfs/dbraw/zinc/55/84/44/411558444.db2.gz HFTZFYRUYTWRIA-WDEREUQCSA-N 0 3 247.360 0.721 20 0 BCADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N)C1 ZINC000042237597 170258437 /nfs/dbraw/zinc/25/84/37/170258437.db2.gz DBADXBBSWQXBMN-RKDXNWHRSA-N 0 3 228.292 0.135 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN(C)C[C@@H](C)OC ZINC000353221507 170260981 /nfs/dbraw/zinc/26/09/81/170260981.db2.gz SFDYZVRMPCAYGX-KOLCDFICSA-N 0 3 233.308 0.267 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN(C)C1CC1 ZINC000354829842 170261277 /nfs/dbraw/zinc/26/12/77/170261277.db2.gz DEPJSEBFTISICI-JTQLQIEISA-N 0 3 201.266 0.395 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN(C)CC[C@@H](C)O ZINC000361419855 170261842 /nfs/dbraw/zinc/26/18/42/170261842.db2.gz ICSHAWWHWXMNEP-KOLCDFICSA-N 0 3 233.308 0.003 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CCCC[C@H]1CO ZINC000354818405 170261890 /nfs/dbraw/zinc/26/18/90/170261890.db2.gz LJZUROJHHNVDKO-JQWIXIFHSA-N 0 3 245.319 0.147 20 0 BCADHN CCC[C@H](C)CN[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000657606598 411561069 /nfs/dbraw/zinc/56/10/69/411561069.db2.gz VOSDAUSZLVOJOA-AXFHLTTASA-N 0 3 249.376 0.824 20 0 BCADHN CCOC(=O)[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC000354335573 170264714 /nfs/dbraw/zinc/26/47/14/170264714.db2.gz SOOGFDCUXSIESX-JTQLQIEISA-N 0 3 244.335 0.737 20 0 BCADHN COc1nccc(CN[C@@H](C)C2(CO)CC2)n1 ZINC000657607250 411561379 /nfs/dbraw/zinc/56/13/79/411561379.db2.gz HVOOCVAZQKENDB-VIFPVBQESA-N 0 3 237.303 0.736 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](CC)C(N)=O ZINC000309645026 170269575 /nfs/dbraw/zinc/26/95/75/170269575.db2.gz LXIKRQJMPMCHFM-HLTSFMKQSA-N 0 3 230.308 0.428 20 0 BCADHN CCOC(=O)[C@H](CC)N1CC[C@](C)(C(N)=O)C1 ZINC000300530010 170271310 /nfs/dbraw/zinc/27/13/10/170271310.db2.gz KAVFKWDZUCYAOY-CABZTGNLSA-N 0 3 242.319 0.525 20 0 BCADHN Cc1cnn(C)c1CN[C@@H](C)C1(CO)CC1 ZINC000657608811 411561792 /nfs/dbraw/zinc/56/17/92/411561792.db2.gz YNFSADKGLRIQDR-JTQLQIEISA-N 0 3 223.320 0.979 20 0 BCADHN CCOC(=O)[C@H](NC(=O)[C@@H](C)N)[C@@H](C)CC ZINC000119228969 170276344 /nfs/dbraw/zinc/27/63/44/170276344.db2.gz CMJGJMUQICJXLK-DJLDLDEBSA-N 0 3 230.308 0.428 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC1CCCC1 ZINC000657603655 411563355 /nfs/dbraw/zinc/56/33/55/411563355.db2.gz NLUZOLGFOWPBSL-VHSXEESVSA-N 0 3 233.333 0.331 20 0 BCADHN CCOC(=O)[C@](C)(O)CN(C)CC[C@H](C)O ZINC000361419854 170283567 /nfs/dbraw/zinc/28/35/67/170283567.db2.gz ICSHAWWHWXMNEP-GXSJLCMTSA-N 0 3 233.308 0.003 20 0 BCADHN CCOC(=O)[C@](C)(O)CN(C)C[C@H](C)OC ZINC000353221505 170283854 /nfs/dbraw/zinc/28/38/54/170283854.db2.gz SFDYZVRMPCAYGX-GXSJLCMTSA-N 0 3 233.308 0.267 20 0 BCADHN CC1(CO)CCN(CCc2cn[nH]n2)CC1 ZINC000660284436 411564741 /nfs/dbraw/zinc/56/47/41/411564741.db2.gz VFQMQRWYODRCAL-UHFFFAOYSA-N 0 3 224.308 0.442 20 0 BCADHN Cn1cc(CNCCO[C@H]2CC2(F)F)cn1 ZINC000657619214 411564880 /nfs/dbraw/zinc/56/48/80/411564880.db2.gz UEWGKBRPJJXJRB-VIFPVBQESA-N 0 3 231.246 0.934 20 0 BCADHN CCN1CC[C@H](N2CC[C@@](O)(CC)C2)C1=O ZINC000660333843 411571007 /nfs/dbraw/zinc/57/10/07/411571007.db2.gz QDKJFJXVBVTROP-JQWIXIFHSA-N 0 3 226.320 0.454 20 0 BCADHN CCOC(CN1C[C@@H](O)C2(CC2)C1)OCC ZINC000375313815 170315578 /nfs/dbraw/zinc/31/55/78/170315578.db2.gz HMNFLTGDIDUDRK-SNVBAGLBSA-N 0 3 229.320 0.842 20 0 BCADHN CCOC1CC(N[C@@H](C)C(=O)NCCF)C1 ZINC000309955597 170329041 /nfs/dbraw/zinc/32/90/41/170329041.db2.gz IEFAFOZOMSFAGK-IDKOKCKLSA-N 0 3 232.299 0.618 20 0 BCADHN CCOC1CC(N[C@]2(CO)CCOC2)C1 ZINC000309039142 170329749 /nfs/dbraw/zinc/32/97/49/170329749.db2.gz KBCJVESWKXALFK-ILDUYXDCSA-N 0 3 215.293 0.295 20 0 BCADHN CCOC1CC(N[C@H]2CCS(=O)(=O)[C@H]2C)C1 ZINC000329166471 170330082 /nfs/dbraw/zinc/33/00/82/170330082.db2.gz IBMOVIJYFWHVDG-PMUOWJKOSA-N 0 3 247.360 0.719 20 0 BCADHN CCOC1CCN(C(=O)[C@H](N)CC)CC1 ZINC000040690030 170331953 /nfs/dbraw/zinc/33/19/53/170331953.db2.gz ALHBVGRFAFFMSB-SNVBAGLBSA-N 0 3 214.309 0.751 20 0 BCADHN CCOC1CC2(C1)CCN([C@H](C)C(N)=O)C2 ZINC000375773443 170332525 /nfs/dbraw/zinc/33/25/25/170332525.db2.gz ZGMBMHXRVHOGEW-GRZMOONWSA-N 0 3 226.320 0.751 20 0 BCADHN COCCO[C@H]1CCN(CCc2cn[nH]n2)C1 ZINC000660372207 411574323 /nfs/dbraw/zinc/57/43/23/411574323.db2.gz NFNHSJALEBAZNC-NSHDSACASA-N 0 3 240.307 0.085 20 0 BCADHN CCOC1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000040689969 170332823 /nfs/dbraw/zinc/33/28/23/170332823.db2.gz VHRGXJYBAGLUHQ-NSHDSACASA-N 0 3 228.336 0.997 20 0 BCADHN CCOC1CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000341248290 170334203 /nfs/dbraw/zinc/33/42/03/170334203.db2.gz XMLFCIIHHRWDRU-SNVBAGLBSA-N 0 3 214.309 0.574 20 0 BCADHN CCOCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000112830750 170340239 /nfs/dbraw/zinc/34/02/39/170340239.db2.gz XTVFAVLCUUAIIG-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CCOCC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000340595798 170342513 /nfs/dbraw/zinc/34/25/13/170342513.db2.gz RRAXNRIWYIVUJI-VHSXEESVSA-N 0 3 246.376 0.527 20 0 BCADHN CCOCC(=O)NCC1=CCN(C)CC1 ZINC000271864215 170343148 /nfs/dbraw/zinc/34/31/48/170343148.db2.gz KOUNAUNVKVZJFO-UHFFFAOYSA-N 0 3 212.293 0.401 20 0 BCADHN CCOCC(=O)NCc1ccc2c(c1)CNC2 ZINC000134527856 170345514 /nfs/dbraw/zinc/34/55/14/170345514.db2.gz KSJMTQCSMMUEPG-UHFFFAOYSA-N 0 3 234.299 0.943 20 0 BCADHN CCOCC1(C(=O)N[C@H](C)CN(C)C)CC1 ZINC000346171427 170356825 /nfs/dbraw/zinc/35/68/25/170356825.db2.gz WPTJHEYAKYEOJM-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CCOCCCC(=O)NC[C@](C)(O)CN(C)C ZINC000152646176 170365288 /nfs/dbraw/zinc/36/52/88/170365288.db2.gz POVHELZJYLPTCG-LBPRGKRZSA-N 0 3 246.351 0.232 20 0 BCADHN CCOCCCCNC(=O)C(C)(C)N ZINC000236834897 170367157 /nfs/dbraw/zinc/36/71/57/170367157.db2.gz NNJUCNZJGVMGLP-UHFFFAOYSA-N 0 3 202.298 0.657 20 0 BCADHN CCOCCCN(C)[C@@H]1COC[C@@H]1O ZINC000352794858 170371041 /nfs/dbraw/zinc/37/10/41/170371041.db2.gz RWORQSTUFMHBAK-ZJUUUORDSA-N 0 3 203.282 0.105 20 0 BCADHN CCOCCCN1CCC[C@H]2C(=O)NC[C@@H]21 ZINC000337211195 170373484 /nfs/dbraw/zinc/37/34/84/170373484.db2.gz DJVUXLITCPLYAN-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN CCOCCCNC(=O)[C@@H](N)C(C)(C)C ZINC000040458596 170378234 /nfs/dbraw/zinc/37/82/34/170378234.db2.gz LKDUSIFLAGLJRN-SECBINFHSA-N 0 3 216.325 0.903 20 0 BCADHN CC[C@@H](O)CNCc1ccc(C(=O)N(C)C)[nH]1 ZINC000657643328 411569859 /nfs/dbraw/zinc/56/98/59/411569859.db2.gz DMGDENQDJVPYBP-SNVBAGLBSA-N 0 3 239.319 0.577 20 0 BCADHN CCN1CC[C@H](N2CC[C@@H](O)[C@H](C)C2)C1=O ZINC000660331189 411570254 /nfs/dbraw/zinc/57/02/54/411570254.db2.gz QPABSHDUKMHMQK-OUAUKWLOSA-N 0 3 226.320 0.310 20 0 BCADHN CCOCCN(C)CCC(=O)N(C)CC ZINC000093317524 170388426 /nfs/dbraw/zinc/38/84/26/170388426.db2.gz OORXOKRFYJSLRW-UHFFFAOYSA-N 0 3 216.325 0.823 20 0 BCADHN CCOCCN(C)CCN1CCCC1=O ZINC000336650897 170388930 /nfs/dbraw/zinc/38/89/30/170388930.db2.gz UGFQSXNPAFXGRD-UHFFFAOYSA-N 0 3 214.309 0.577 20 0 BCADHN CCOCCN(CC)CCOCCO ZINC000082537488 170394212 /nfs/dbraw/zinc/39/42/12/170394212.db2.gz JJWLCMIXLYXTNP-UHFFFAOYSA-N 0 3 205.298 0.354 20 0 BCADHN CCOCCN(CC)CCN1C(=O)CCC1=O ZINC000107791656 170394861 /nfs/dbraw/zinc/39/48/61/170394861.db2.gz CFGWKUFCYSKCHV-UHFFFAOYSA-N 0 3 242.319 0.494 20 0 BCADHN CCOCCN1CCC[C@@H](N2CCNC2=O)C1 ZINC000373096548 170398288 /nfs/dbraw/zinc/39/82/88/170398288.db2.gz BSRVGCBFQCDSRQ-LLVKDONJSA-N 0 3 241.335 0.513 20 0 BCADHN CCN(CCNc1nccn(C)c1=O)C(C)C ZINC000360996932 411625645 /nfs/dbraw/zinc/62/56/45/411625645.db2.gz MAGNBOSIXVPNDO-UHFFFAOYSA-N 0 3 238.335 0.923 20 0 BCADHN c1n[nH]nc1CCN1C[C@@H]2C[C@H]1CS2 ZINC000660779312 411627315 /nfs/dbraw/zinc/62/73/15/411627315.db2.gz BJVUCWMXFRTYOS-IUCAKERBSA-N 0 3 210.306 0.537 20 0 BCADHN c1[nH]nnc1CCN1C[C@@H]2C[C@H]1CS2 ZINC000660779312 411627318 /nfs/dbraw/zinc/62/73/18/411627318.db2.gz BJVUCWMXFRTYOS-IUCAKERBSA-N 0 3 210.306 0.537 20 0 BCADHN Cc1cc(NC(=O)[C@@H]2NCC2(C)C)nn1C ZINC000644164746 411628452 /nfs/dbraw/zinc/62/84/52/411628452.db2.gz IMNRGWIUGHKDCL-VIFPVBQESA-N 0 3 222.292 0.665 20 0 BCADHN CCN1CCC(Nc2cc(C#N)cnn2)CC1 ZINC000396900080 411629268 /nfs/dbraw/zinc/62/92/68/411629268.db2.gz CSCKBWHVNUUAJY-UHFFFAOYSA-N 0 3 231.303 1.244 20 0 BCADHN CCN1CCC[C@@H]1CNc1ccc2nncn2n1 ZINC000355155799 411629586 /nfs/dbraw/zinc/62/95/86/411629586.db2.gz XBMKWJNIJGWNED-SNVBAGLBSA-N 0 3 246.318 1.021 20 0 BCADHN Cc1cc(NC(=O)[C@H](N)C2CCC2)nn1C ZINC000335653842 411630147 /nfs/dbraw/zinc/63/01/47/411630147.db2.gz MXZCAFZZUYNJSN-SNVBAGLBSA-N 0 3 222.292 0.794 20 0 BCADHN Cc1cc(NC(=O)[C@H]2CCN(C)C2)nn1C ZINC000334353351 411631993 /nfs/dbraw/zinc/63/19/93/411631993.db2.gz INWBWMNPBJRYTI-VIFPVBQESA-N 0 3 222.292 0.619 20 0 BCADHN CCN1CCCN(Cc2nnn(C)n2)[C@@H](C)C1 ZINC000660786517 411631997 /nfs/dbraw/zinc/63/19/97/411631997.db2.gz KEDLBBWEVURKCP-JTQLQIEISA-N 0 3 238.339 0.126 20 0 BCADHN CCN1CCC[C@@H](Nc2ccc(=O)n(C)n2)C1 ZINC000413069594 411632232 /nfs/dbraw/zinc/63/22/32/411632232.db2.gz IYDDMCUAYXXVQS-SNVBAGLBSA-N 0 3 236.319 0.677 20 0 BCADHN CCN1CCCN(Cc2cnnn2C)[C@@H](C)C1 ZINC000660788187 411632671 /nfs/dbraw/zinc/63/26/71/411632671.db2.gz WUBFVYSOSNBIFO-NSHDSACASA-N 0 3 237.351 0.731 20 0 BCADHN CCN1CCCN(Cc2ncnn2C)[C@@H](C)C1 ZINC000660790147 411633808 /nfs/dbraw/zinc/63/38/08/411633808.db2.gz DTONVGBGAJCIRW-NSHDSACASA-N 0 3 237.351 0.731 20 0 BCADHN CCN1CC[C@@H](Nc2nccn(C3CC3)c2=O)C1 ZINC000389209495 411634238 /nfs/dbraw/zinc/63/42/38/411634238.db2.gz BMKFIGRLGWXSMJ-SNVBAGLBSA-N 0 3 248.330 1.084 20 0 BCADHN CCN1CCCN(CC(=O)NC(C)C)[C@@H](C)C1 ZINC000660797414 411635176 /nfs/dbraw/zinc/63/51/76/411635176.db2.gz XMVZFIBZFHBZFG-LBPRGKRZSA-N 0 3 241.379 0.927 20 0 BCADHN CCN1CCN([C@@H](C)CNc2cccnn2)CC1 ZINC000557494139 411635850 /nfs/dbraw/zinc/63/58/50/411635850.db2.gz UWHZGVFEPWBCQM-LBPRGKRZSA-N 0 3 249.362 0.915 20 0 BCADHN CN(C)C(=O)C1(NCC2(C)COC2)CC1 ZINC000660802169 411637164 /nfs/dbraw/zinc/63/71/64/411637164.db2.gz XWWUOGUKSFLXEV-UHFFFAOYSA-N 0 3 212.293 0.233 20 0 BCADHN Cc1nocc1CN1CC[C@@H](C(=O)N(C)C)C1 ZINC000660799382 411637687 /nfs/dbraw/zinc/63/76/87/411637687.db2.gz CPFLVEPXNXRAQG-SNVBAGLBSA-N 0 3 237.303 0.893 20 0 BCADHN O=C1C[C@@H](CN2CCO[C@@H](C3CCC3)C2)CN1 ZINC000660799226 411638226 /nfs/dbraw/zinc/63/82/26/411638226.db2.gz SRUXKCHLURJTQU-ZYHUDNBSSA-N 0 3 238.331 0.623 20 0 BCADHN Cc1n[nH]c([C@H]2CCN(Cc3cn(C)cn3)C2)n1 ZINC000660805988 411639874 /nfs/dbraw/zinc/63/98/74/411639874.db2.gz PSYCWRGMHNVCSB-JTQLQIEISA-N 0 3 246.318 0.836 20 0 BCADHN Cc1nc([C@H]2CCN(Cc3cn(C)cn3)C2)n[nH]1 ZINC000660805988 411639877 /nfs/dbraw/zinc/63/98/77/411639877.db2.gz PSYCWRGMHNVCSB-JTQLQIEISA-N 0 3 246.318 0.836 20 0 BCADHN Cc1nnc([C@H]2CCN(Cc3cn(C)cn3)C2)[nH]1 ZINC000660805988 411639882 /nfs/dbraw/zinc/63/98/82/411639882.db2.gz PSYCWRGMHNVCSB-JTQLQIEISA-N 0 3 246.318 0.836 20 0 BCADHN Cc1cc(NCCN2CC[C@@H](O)C2)nc(C)n1 ZINC000624680389 411647293 /nfs/dbraw/zinc/64/72/93/411647293.db2.gz XJCIDBBDFPCXQO-LLVKDONJSA-N 0 3 236.319 0.572 20 0 BCADHN CCOCC[C@H](O)CN[C@H](C)c1cnn(C)c1 ZINC000278854021 170428286 /nfs/dbraw/zinc/42/82/86/170428286.db2.gz RPZZEDZTZKNVPA-PWSUYJOCSA-N 0 3 241.335 0.858 20 0 BCADHN C[C@H]1CCC[C@H](CNCc2cnnn2C)O1 ZINC000657663204 411576540 /nfs/dbraw/zinc/57/65/40/411576540.db2.gz FOXXKCUTSUDEFL-GXSJLCMTSA-N 0 3 224.308 0.862 20 0 BCADHN Cn1nncc1CNC[C@@]1(C)CC1(F)F ZINC000657664445 411576933 /nfs/dbraw/zinc/57/69/33/411576933.db2.gz KGQPMPIUBFZONM-MRVPVSSYSA-N 0 3 216.235 0.950 20 0 BCADHN C[C@@H]1C[C@H](N2C[C@H](CO)O[C@@H](C)C2)CCO1 ZINC000660389061 411577577 /nfs/dbraw/zinc/57/75/77/411577577.db2.gz PICXGWDPBROFMM-WRWGMCAJSA-N 0 3 229.320 0.636 20 0 BCADHN OC[C@@H]1COCCN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660418904 411581654 /nfs/dbraw/zinc/58/16/54/411581654.db2.gz FFMCGSZHDMEISV-WRWGMCAJSA-N 0 3 211.305 0.726 20 0 BCADHN Cn1nncc1CN[C@H]1C[C@@H](O)C12CCC2 ZINC000657704791 411583587 /nfs/dbraw/zinc/58/35/87/411583587.db2.gz IKXSCEBMGINWBI-VHSXEESVSA-N 0 3 222.292 0.208 20 0 BCADHN 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ZINC000246191866 170443946 /nfs/dbraw/zinc/44/39/46/170443946.db2.gz LRQOWOFKGIBNKU-RKDXNWHRSA-N 0 3 200.282 0.219 20 0 BCADHN CCS(=O)(=O)C1(CN[C@@H]2CCOC2)CC1 ZINC000657759347 411590671 /nfs/dbraw/zinc/59/06/71/411590671.db2.gz PAOTWYFFPWDRCA-SECBINFHSA-N 0 3 233.333 0.332 20 0 BCADHN CO[C@H](CN[C@@H]1C(=O)NCC[C@H]1C)C1CCC1 ZINC000660478768 411591337 /nfs/dbraw/zinc/59/13/37/411591337.db2.gz ONPXBZQWEGNWAS-JLLWLGSASA-N 0 3 240.347 0.916 20 0 BCADHN NC(=O)CCNC[C@@H]1OCCc2ccccc21 ZINC000071090677 411594067 /nfs/dbraw/zinc/59/40/67/411594067.db2.gz CWZCNGAJYWPVRE-LBPRGKRZSA-N 0 3 234.299 0.765 20 0 BCADHN OC[C@]1(F)CCN(CC2(O)CCSCC2)C1 ZINC000660490253 411594072 /nfs/dbraw/zinc/59/40/72/411594072.db2.gz ZCPLQQHSHICWPY-JTQLQIEISA-N 0 3 249.351 0.651 20 0 BCADHN COC[C@@H](CN[C@](C)(C(N)=O)C(C)C)OC ZINC000660540717 411597035 /nfs/dbraw/zinc/59/70/35/411597035.db2.gz FJUKRSASKULSJW-KOLCDFICSA-N 0 3 232.324 0.137 20 0 BCADHN COC[C@H](CN(C)C[C@H](C)OC)OC ZINC000660552582 411598506 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/nfs/dbraw/zinc/73/90/31/411739031.db2.gz KBFVSUXYCSRIHC-LLVKDONJSA-N 0 3 220.320 1.539 20 0 BCADHN CC[C@H](N)C(=O)Nc1n[nH]c2cc(OC)ccc21 ZINC000423760677 411750729 /nfs/dbraw/zinc/75/07/29/411750729.db2.gz QQOYDFRIRQMXHC-VIFPVBQESA-N 0 3 248.286 1.247 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@@H]1CC[C@@H](O)C1 ZINC000233826731 170611884 /nfs/dbraw/zinc/61/18/84/170611884.db2.gz NUYGVKVAJSQMFP-HBNTYKKESA-N 0 3 249.376 0.560 20 0 BCADHN CCc1cc(NC(=O)C2CCN(C)CC2)n[nH]1 ZINC000648898466 411760907 /nfs/dbraw/zinc/76/09/07/411760907.db2.gz GEZCUFBPDAMGTF-UHFFFAOYSA-N 0 3 236.319 1.252 20 0 BCADHN CCc1cc(NC(=O)[C@@H]2CCN(C)C2)n[nH]1 ZINC000386205998 411763708 /nfs/dbraw/zinc/76/37/08/411763708.db2.gz GHGKUKWLTYRBFG-MRVPVSSYSA-N 0 3 222.292 0.862 20 0 BCADHN COC(C)(C)CNC(=O)[C@H](N)CC(C)C ZINC000133461798 411765621 /nfs/dbraw/zinc/76/56/21/411765621.db2.gz LHLIUINZSRWKRC-SECBINFHSA-N 0 3 216.325 0.901 20 0 BCADHN CN(C)C[C@H](CO)Nc1ncnc2[nH]ccc21 ZINC000663910819 411771553 /nfs/dbraw/zinc/77/15/53/411771553.db2.gz OWZKDXWEDOYBSA-MRVPVSSYSA-N 0 3 235.291 0.292 20 0 BCADHN Cc1nc(NCCCO)cc(NCCCO)n1 ZINC000533100327 411773293 /nfs/dbraw/zinc/77/32/93/411773293.db2.gz KYOVJJQXXXAVRL-UHFFFAOYSA-N 0 3 240.307 0.374 20 0 BCADHN Cc1nc(N[C@H](C)CO)cc(N[C@@H](C)CO)n1 ZINC000539106293 411774595 /nfs/dbraw/zinc/77/45/95/411774595.db2.gz UKLSHHIOHIZCMA-OCAPTIKFSA-N 0 3 240.307 0.370 20 0 BCADHN C[C@H](CO)[C@H]1CCCCN1CC(=O)N(C)C ZINC000661436636 411775512 /nfs/dbraw/zinc/77/55/12/411775512.db2.gz VUFCQTRLKKEWEP-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H]1COC2(CCC2)CN1CCc1c[nH]nn1 ZINC000661462296 411780918 /nfs/dbraw/zinc/78/09/18/411780918.db2.gz HUAMMDUGDUXKBA-JTQLQIEISA-N 0 3 236.319 0.991 20 0 BCADHN C[C@@H](C(N)=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000661491210 411782678 /nfs/dbraw/zinc/78/26/78/411782678.db2.gz QJOVIZSHZSDXTD-INTQDDNPSA-N 0 3 212.293 0.219 20 0 BCADHN CCN1CC[C@H]2OCCN(c3cnccn3)[C@H]2C1 ZINC000663940080 411782938 /nfs/dbraw/zinc/78/29/38/411782938.db2.gz VRHKABYKLGTKCE-NWDGAFQWSA-N 0 3 248.330 0.776 20 0 BCADHN COC[C@H](NCCO)c1cccc(OC)c1 ZINC000661477970 411784599 /nfs/dbraw/zinc/78/45/99/411784599.db2.gz IIBGJHFLPMVNFH-LBPRGKRZSA-N 0 3 225.288 0.965 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H](C)[C@H]1CCO ZINC000661486604 411785002 /nfs/dbraw/zinc/78/50/02/411785002.db2.gz BRBNPQHKAWBWKC-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN CCOc1nccnc1NC[C@H](C)N(C)C ZINC000393774725 411720836 /nfs/dbraw/zinc/72/08/36/411720836.db2.gz JTLZEUILLAYJMY-VIFPVBQESA-N 0 3 224.308 1.237 20 0 BCADHN CC(C)NC(=O)CN[C@H](CO)C1CCC1 ZINC000661156484 411722562 /nfs/dbraw/zinc/72/25/62/411722562.db2.gz JQVHOENTNFGNCG-SNVBAGLBSA-N 0 3 214.309 0.262 20 0 BCADHN COCCCCN1CCc2nnc(N)cc2C1 ZINC000369405357 411863819 /nfs/dbraw/zinc/86/38/19/411863819.db2.gz ZVFDPEPIIJULKG-UHFFFAOYSA-N 0 3 236.319 0.844 20 0 BCADHN Cc1nnc(NC[C@@H]2CSCCN2)nc1C ZINC000641688010 411803047 /nfs/dbraw/zinc/80/30/47/411803047.db2.gz VHIFHQUNUDYFMY-SECBINFHSA-N 0 3 239.348 0.605 20 0 BCADHN NC(=O)C1(N[C@@H]2C=CCCC2)CCOCC1 ZINC000661594002 411810402 /nfs/dbraw/zinc/81/04/02/411810402.db2.gz LOEDCIFSYWKZIU-SNVBAGLBSA-N 0 3 224.304 0.719 20 0 BCADHN CO[C@@H](CNC1(C(N)=O)CCOCC1)C1CC1 ZINC000661594800 411811060 /nfs/dbraw/zinc/81/10/60/411811060.db2.gz CDHXBCGKNNCNTJ-JTQLQIEISA-N 0 3 242.319 0.036 20 0 BCADHN Cc1cnn(CCN(C)C[C@H]2COCCO2)c1 ZINC000661606962 411813676 /nfs/dbraw/zinc/81/36/76/411813676.db2.gz VQQKIUJJNPKFLQ-LBPRGKRZSA-N 0 3 239.319 0.539 20 0 BCADHN CN(CCC(C)(C)O)C[C@H]1COCCO1 ZINC000661606035 411814649 /nfs/dbraw/zinc/81/46/49/411814649.db2.gz RDOUEHMDYWKNNK-JTQLQIEISA-N 0 3 217.309 0.495 20 0 BCADHN C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H](C)[C@H]1O ZINC000661633687 411815038 /nfs/dbraw/zinc/81/50/38/411815038.db2.gz ZAJREYUUQULQDG-YTWAJWBKSA-N 0 3 226.320 0.166 20 0 BCADHN CN(C[C@H]1COCCO1)[C@@H]1COC(C)(C)C1 ZINC000661613347 411815348 /nfs/dbraw/zinc/81/53/48/411815348.db2.gz IUJWDJTWEYCQRN-QWRGUYRKSA-N 0 3 229.320 0.901 20 0 BCADHN C[C@@H]1CC[C@@H](CN(C)C[C@@H]2COCCO2)O1 ZINC000661609489 411816841 /nfs/dbraw/zinc/81/68/41/411816841.db2.gz ATZRUGPBBOCPPL-GRYCIOLGSA-N 0 3 229.320 0.901 20 0 BCADHN CCOCC[C@@H](O)CN(C)C[C@H]1COCCO1 ZINC000661611392 411816925 /nfs/dbraw/zinc/81/69/25/411816925.db2.gz KBTJMIYNEMYZOJ-NEPJUHHUSA-N 0 3 247.335 0.121 20 0 BCADHN COCCCCCN1CCC(O)(CO)CC1 ZINC000661618332 411818996 /nfs/dbraw/zinc/81/89/96/411818996.db2.gz RREMMSLYTZOZGH-UHFFFAOYSA-N 0 3 231.336 0.622 20 0 BCADHN CC[C@@H](C)CNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336702287 170706514 /nfs/dbraw/zinc/70/65/14/170706514.db2.gz AAYMPFWPIJRIRX-MWLCHTKSSA-N 0 3 243.351 0.248 20 0 BCADHN C[C@@H](CNc1ccc(C#N)nn1)N(C)C ZINC000380073290 411820435 /nfs/dbraw/zinc/82/04/35/411820435.db2.gz DQOVNIPXYSTHMX-QMMMGPOBSA-N 0 3 205.265 0.710 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661620851 411820637 /nfs/dbraw/zinc/82/06/37/411820637.db2.gz AWKXFYVRGYLEAE-MXWKQRLJSA-N 0 3 242.363 0.850 20 0 BCADHN CCn1nc(NC(=O)[C@H]2CCN2)cc1C1CC1 ZINC000444126472 411821943 /nfs/dbraw/zinc/82/19/43/411821943.db2.gz TYKKFILWONYZBP-SECBINFHSA-N 0 3 234.303 1.081 20 0 BCADHN O=C1NCCC[C@@H]1N1CCC[C@@](O)(C2CC2)C1 ZINC000661628048 411824326 /nfs/dbraw/zinc/82/43/26/411824326.db2.gz SVAZYANXKVHWOJ-AAEUAGOBSA-N 0 3 238.331 0.502 20 0 BCADHN Cc1onc(NC(=O)NC[C@H](C)N(C)C)c1C ZINC000455651407 411826459 /nfs/dbraw/zinc/82/64/59/411826459.db2.gz ACVXIBCOUFQBEC-ZETCQYMHSA-N 0 3 240.307 1.363 20 0 BCADHN Cc1onc(NC(=O)NC[C@@H](C)N(C)C)c1C ZINC000455661478 411827720 /nfs/dbraw/zinc/82/77/20/411827720.db2.gz ACVXIBCOUFQBEC-SSDOTTSWSA-N 0 3 240.307 1.363 20 0 BCADHN COC[C@@H](CN(C)CC1=CCCOC1)OC ZINC000661652689 411828777 /nfs/dbraw/zinc/82/87/77/411828777.db2.gz NPOIFVSQKSNPHJ-GFCCVEGCSA-N 0 3 229.320 0.926 20 0 BCADHN CC(=O)[C@@](C)(O)CN(C)CC1=CCCOC1 ZINC000661652426 411828966 /nfs/dbraw/zinc/82/89/66/411828966.db2.gz LRIITQNQWKRWOZ-LBPRGKRZSA-N 0 3 227.304 0.605 20 0 BCADHN CCOC[C@H](O)CN(C)CC1=CCCOC1 ZINC000661655631 411831724 /nfs/dbraw/zinc/83/17/24/411831724.db2.gz RVCLWWSSYNOEMA-GFCCVEGCSA-N 0 3 229.320 0.662 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@H](CCF)C1 ZINC000661690449 411841829 /nfs/dbraw/zinc/84/18/29/411841829.db2.gz NGKCQXBSZFOKPM-RKDXNWHRSA-N 0 3 202.273 0.932 20 0 BCADHN CCNC(=O)CN1C[C@@H]2COC[C@]2(C)C1 ZINC000661699449 411845397 /nfs/dbraw/zinc/84/53/97/411845397.db2.gz VNFNUSPVKKNLJX-KOLCDFICSA-N 0 3 212.293 0.091 20 0 BCADHN C[C@@]12COC[C@H]1CN(CC(=O)N1CCC1)C2 ZINC000661703519 411848171 /nfs/dbraw/zinc/84/81/71/411848171.db2.gz UGMNJRMVOIUHBH-ZYHUDNBSSA-N 0 3 224.304 0.187 20 0 BCADHN C[C@]12COC[C@H]1CN(CCN1CCCC1=O)C2 ZINC000661703569 411849171 /nfs/dbraw/zinc/84/91/71/411849171.db2.gz UNTIULMKJSUJCS-YPMHNXCESA-N 0 3 238.331 0.577 20 0 BCADHN CN(C(=O)CN1C[C@H]2COC[C@]2(C)C1)C1CC1 ZINC000661708342 411851679 /nfs/dbraw/zinc/85/16/79/411851679.db2.gz VKMOILMITJRSQE-GWCFXTLKSA-N 0 3 238.331 0.576 20 0 BCADHN CCCCN(C)CCNC(=O)N[C@H]1C[C@H](O)C1 ZINC000664094525 411852661 /nfs/dbraw/zinc/85/26/61/411852661.db2.gz MSDHHYVHZOXBPB-XYPYZODXSA-N 0 3 243.351 0.541 20 0 BCADHN CC(C)COC[C@H](O)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000661713567 411854446 /nfs/dbraw/zinc/85/44/46/411854446.db2.gz QIZLTKHMCOXXIF-YNEHKIRRSA-N 0 3 243.347 0.477 20 0 BCADHN Cn1cc(CCN2CC[C@@]3(O)C[C@H]3C2)cn1 ZINC000661717347 411855498 /nfs/dbraw/zinc/85/54/98/411855498.db2.gz VLFVGFRRTCOCQL-NWDGAFQWSA-N 0 3 221.304 0.419 20 0 BCADHN Cc1cnn(CCN2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000661716433 411856626 /nfs/dbraw/zinc/85/66/26/411856626.db2.gz RHYFIJSPHGIWJX-NWDGAFQWSA-N 0 3 221.304 0.648 20 0 BCADHN O[C@@H](CN1CC[C@@]2(O)C[C@H]2C1)CC(F)(F)F ZINC000661720143 411859069 /nfs/dbraw/zinc/85/90/69/411859069.db2.gz CYINGZVHFQWKJW-DJLDLDEBSA-N 0 3 239.237 0.756 20 0 BCADHN O=C(NC/C=C\CO)N[C@@H]1CCN(C2CC2)C1 ZINC000664127501 411863538 /nfs/dbraw/zinc/86/35/38/411863538.db2.gz HRIOMZAIBCJOOR-JWXWKVPASA-N 0 3 239.319 0.071 20 0 BCADHN CC[C@H](O)CN1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639823234 411885612 /nfs/dbraw/zinc/88/56/12/411885612.db2.gz XIUUBLIOCKFJBZ-BDAKNGLRSA-N 0 3 240.307 0.602 20 0 BCADHN CC[C@H]1CN(CC)CCN1Cc1nccc(N)n1 ZINC000451739218 411886456 /nfs/dbraw/zinc/88/64/56/411886456.db2.gz JJZUDICAVRTFCJ-NSHDSACASA-N 0 3 249.362 0.975 20 0 BCADHN CCC[C@@H](O)CN1CCC(=O)N(C)CC1 ZINC000661805458 411887641 /nfs/dbraw/zinc/88/76/41/411887641.db2.gz KCSIPMNIWJWRKA-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)NC/C=C/CO)CCN1C ZINC000664215966 411887703 /nfs/dbraw/zinc/88/77/03/411887703.db2.gz DKNSSJBRDXSRIE-YHROSDCASA-N 0 3 241.335 0.317 20 0 BCADHN CC[C@@H](O)CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000664219614 411888248 /nfs/dbraw/zinc/88/82/48/411888248.db2.gz SLYWTSKQCVFSLC-GARJFASQSA-N 0 3 243.351 0.539 20 0 BCADHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccnc(N)c1 ZINC000578784196 411890970 /nfs/dbraw/zinc/89/09/70/411890970.db2.gz DCKAEUGFDPYLJO-UWVGGRQHSA-N 0 3 221.304 0.913 20 0 BCADHN C[C@H](CCN=c1ncnc2[nH][n-]cc1-2)[NH+](C)C ZINC000664245171 411896704 /nfs/dbraw/zinc/89/67/04/411896704.db2.gz YKJFFDXSJMXJEW-MRVPVSSYSA-N 0 3 234.307 0.479 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1ncccc1N ZINC000132302350 411897674 /nfs/dbraw/zinc/89/76/74/411897674.db2.gz YZXSAYVFJYQLDY-JTQLQIEISA-N 0 3 248.330 0.878 20 0 BCADHN CCN(CC)C(=O)CN[C@H]1C[C@@H](O)C12CCC2 ZINC000661843518 411899391 /nfs/dbraw/zinc/89/93/91/411899391.db2.gz YGQNWMQJEJXEPC-WDEREUQCSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H](N[C@H]1C[C@@H](O)C12CCC2)C(=O)NC1CC1 ZINC000661836962 411899633 /nfs/dbraw/zinc/89/96/33/411899633.db2.gz HDGVJXFGHXRWRV-INTQDDNPSA-N 0 3 238.331 0.547 20 0 BCADHN C[C@H](N[C@H]1C[C@H](O)C12CCC2)C(=O)N(C)C ZINC000661838785 411900301 /nfs/dbraw/zinc/90/03/01/411900301.db2.gz NSMPUIGPGJRTGI-GUBZILKMSA-N 0 3 226.320 0.356 20 0 BCADHN C[C@@H](c1nccc(N)n1)N(C)C[C@H]1CCCN1C ZINC000576477359 411900711 /nfs/dbraw/zinc/90/07/11/411900711.db2.gz VNLFONYQQUNLHJ-WDEREUQCSA-N 0 3 249.362 1.146 20 0 BCADHN C[C@H](NC(=O)c1ncnn1C)C1=CCN(C)CC1 ZINC000664262298 411903746 /nfs/dbraw/zinc/90/37/46/411903746.db2.gz CHYQUBKLWJEEJI-VIFPVBQESA-N 0 3 249.318 0.195 20 0 BCADHN CCOC[C@@H](O)CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000661854330 411904522 /nfs/dbraw/zinc/90/45/22/411904522.db2.gz BGUJVXBGEHCRJD-WOPDTQHZSA-N 0 3 231.336 0.883 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)Nc2ccc(N)nc2)C1 ZINC000417781930 411905257 /nfs/dbraw/zinc/90/52/57/411905257.db2.gz KSXNDFZCUBMDEN-SCZZXKLOSA-N 0 3 234.303 0.990 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1cnn(C)c1C ZINC000226415712 170795332 /nfs/dbraw/zinc/79/53/32/170795332.db2.gz AOZRGAOKRZGYNM-KCJUWKMLSA-N 0 3 238.335 0.718 20 0 BCADHN C[C@@]1(F)CNCCN(Cc2cnc(N)s2)C1 ZINC000414767853 411908826 /nfs/dbraw/zinc/90/88/26/411908826.db2.gz GWNBCPZICMDOQZ-SNVBAGLBSA-N 0 3 244.339 0.859 20 0 BCADHN C[C@@]1(F)CNCCN(Cc2ccc(N)nc2)C1 ZINC000647544724 411909841 /nfs/dbraw/zinc/90/98/41/411909841.db2.gz OFWMWNAAAVNBHY-GFCCVEGCSA-N 0 3 238.310 0.797 20 0 BCADHN OCC1(CO)CCN(C[C@@H]2CCCCO2)C1 ZINC000661941079 411917014 /nfs/dbraw/zinc/91/70/14/411917014.db2.gz DWRVEMVCOGMNTH-NSHDSACASA-N 0 3 229.320 0.232 20 0 BCADHN CC(C)CC[C@H](O)CN1CCC(CO)(CO)C1 ZINC000661950452 411917886 /nfs/dbraw/zinc/91/78/86/411917886.db2.gz LLTARKYZVDYNJX-LBPRGKRZSA-N 0 3 245.363 0.460 20 0 BCADHN C[C@H](CSc1nc(N)n[nH]1)N(C)C ZINC000336659502 411919005 /nfs/dbraw/zinc/91/90/05/411919005.db2.gz SVTRERSTNVCQGM-RXMQYKEDSA-N 0 3 201.299 0.429 20 0 BCADHN Cc1nnc2c(N(C)CC3CN(C)C3)nccn12 ZINC000664330300 411922162 /nfs/dbraw/zinc/92/21/62/411922162.db2.gz JHKHGDKPYQIBIG-UHFFFAOYSA-N 0 3 246.318 0.431 20 0 BCADHN CN(CC1CN(C)C1)c1cn[nH]c(=O)c1Cl ZINC000664334309 411924834 /nfs/dbraw/zinc/92/48/34/411924834.db2.gz PVKBHGOBYVWIEB-UHFFFAOYSA-N 0 3 242.710 0.833 20 0 BCADHN C(CN1CC[C@H]2C[C@H]2C1)N1CCOCC1 ZINC000661975034 411930478 /nfs/dbraw/zinc/93/04/78/411930478.db2.gz OVXZKBNKHWFEOS-RYUDHWBXSA-N 0 3 210.321 0.660 20 0 BCADHN Nc1cc(CN2C[C@@H]3C[C@]3(O)C2)ccn1 ZINC000640482347 411939283 /nfs/dbraw/zinc/93/92/83/411939283.db2.gz QUKLKMHGNBPGKF-ONGXEEELSA-N 0 3 205.261 0.230 20 0 BCADHN C[C@@H](O)CCN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662007696 411940783 /nfs/dbraw/zinc/94/07/83/411940783.db2.gz JAMYVHLPIKFSOR-MNOVXSKESA-N 0 3 243.351 0.445 20 0 BCADHN CO[C@@H](C)CN1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662014271 411941223 /nfs/dbraw/zinc/94/12/23/411941223.db2.gz YPJPOWBIJHMDND-WDEREUQCSA-N 0 3 243.351 0.709 20 0 BCADHN CN(C)C(=O)N(C)[C@H]1CCN(CCCCO)C1 ZINC000662012986 411941424 /nfs/dbraw/zinc/94/14/24/411941424.db2.gz HJPPBVCDEYNESO-NSHDSACASA-N 0 3 243.351 0.447 20 0 BCADHN CC(C)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1 ZINC000452111569 411872325 /nfs/dbraw/zinc/87/23/25/411872325.db2.gz COVQBUHKNNWIAV-LLVKDONJSA-N 0 3 249.362 0.973 20 0 BCADHN C[C@H](O)[C@H]1CCCN1C[C@H](O)C(F)(F)F ZINC000661765353 411876043 /nfs/dbraw/zinc/87/60/43/411876043.db2.gz NKWNJRMJHJLLLC-RNJXMRFFSA-N 0 3 227.226 0.755 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1CC(=O)N(C)CC1CC1 ZINC000661767860 411879386 /nfs/dbraw/zinc/87/93/86/411879386.db2.gz PGNNJPOXZVKOKX-ZYHUDNBSSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](CNc1nc(N)c2ccccc2n1)N(C)C ZINC000578310535 411879753 /nfs/dbraw/zinc/87/97/53/411879753.db2.gz RXENRHVZHGBJNL-VIFPVBQESA-N 0 3 245.330 0.996 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2ccc(N)nc2)CCN1 ZINC000638196675 411881544 /nfs/dbraw/zinc/88/15/44/411881544.db2.gz KZEGNVNLESJVDP-LLVKDONJSA-N 0 3 248.330 0.734 20 0 BCADHN C[C@H](CN1CCC[C@@H]1[C@@H](C)O)CS(C)(=O)=O ZINC000661772038 411882752 /nfs/dbraw/zinc/88/27/52/411882752.db2.gz PWJJMAMJTWHMBZ-GMTAPVOTSA-N 0 3 249.376 0.512 20 0 BCADHN CC(=O)N[C@H]1CCN(Cc2cccc(N)c2)C1 ZINC000133807907 411966507 /nfs/dbraw/zinc/96/65/07/411966507.db2.gz JUTLLVZEFQUVPS-ZDUSSCGKSA-N 0 3 233.315 0.979 20 0 BCADHN NC(=O)C[C@@H]1CCCN(Cc2ccc(N)nc2)C1 ZINC000647517865 411974492 /nfs/dbraw/zinc/97/44/92/411974492.db2.gz PBMMYLXAKXRBHS-JTQLQIEISA-N 0 3 248.330 0.751 20 0 BCADHN c1ncn(CCN2CCC3(COC3)C2)n1 ZINC000662072957 411974668 /nfs/dbraw/zinc/97/46/68/411974668.db2.gz JUBLYPLBSLXDAM-UHFFFAOYSA-N 0 3 208.265 0.000 20 0 BCADHN CN1CCC[C@@H](N2CCC3(COC3)C2)C1=O ZINC000662072764 411974767 /nfs/dbraw/zinc/97/47/67/411974767.db2.gz OZEQQUODGXMNFQ-SNVBAGLBSA-N 0 3 224.304 0.330 20 0 BCADHN CC(C)N1CC[C@H](N2CCC3(COC3)C2)C1=O ZINC000662074291 411977194 /nfs/dbraw/zinc/97/71/94/411977194.db2.gz GEKWTIHDNRVOBK-NSHDSACASA-N 0 3 238.331 0.718 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2ccnn2CC)C1 ZINC000665669642 411987726 /nfs/dbraw/zinc/98/77/26/411987726.db2.gz CDUAJYGHVHIEGA-SNVBAGLBSA-N 0 3 236.319 0.727 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@H](C)[C@@](C)(CO)C1 ZINC000662135219 411997827 /nfs/dbraw/zinc/99/78/27/411997827.db2.gz KPAOWBVSEXYSPX-OPQQBVKSSA-N 0 3 240.347 0.604 20 0 BCADHN CCNC(=O)CN1C[C@H](C)[C@@](C)(CO)C1 ZINC000662142139 412003164 /nfs/dbraw/zinc/00/31/64/412003164.db2.gz ZKYFYTXTMZACNN-GXSJLCMTSA-N 0 3 214.309 0.073 20 0 BCADHN C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@]1(C)CO ZINC000662144570 412005638 /nfs/dbraw/zinc/00/56/38/412005638.db2.gz UZUOGHAKRNOTHB-JFGNBEQYSA-N 0 3 226.320 0.167 20 0 BCADHN Cc1[nH]ccc1C(=O)N1CCOC2(CNC2)C1 ZINC000664724938 412014959 /nfs/dbraw/zinc/01/49/59/412014959.db2.gz OCCJVXDZZUIGOJ-UHFFFAOYSA-N 0 3 235.287 0.138 20 0 BCADHN Cn1ccc(CN2CC[C@H]3COC[C@H]3C2)n1 ZINC000662029810 411945190 /nfs/dbraw/zinc/94/51/90/411945190.db2.gz BRFPNXVUPCUKKQ-WDEREUQCSA-N 0 3 221.304 0.888 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@H]2COC[C@@H]2C1 ZINC000662031526 411947053 /nfs/dbraw/zinc/94/70/53/411947053.db2.gz FDNNVJBVADEKJM-DCAQKATOSA-N 0 3 224.304 0.233 20 0 BCADHN O=C(CN1CC[C@@H]2COC[C@@H]2C1)NC1CC1 ZINC000662043619 411948663 /nfs/dbraw/zinc/94/86/63/411948663.db2.gz QNWSSFYXSBOOLU-ZJUUUORDSA-N 0 3 224.304 0.233 20 0 BCADHN Nc1cc2c(nn1)CCN(CCCCCO)C2 ZINC000361945480 411948700 /nfs/dbraw/zinc/94/87/00/411948700.db2.gz SXHCANUKVSGZDW-UHFFFAOYSA-N 0 3 236.319 0.580 20 0 BCADHN O=C1CCCN1CCN1CC[C@@H]2COC[C@@H]2C1 ZINC000662032836 411950231 /nfs/dbraw/zinc/95/02/31/411950231.db2.gz FUGIKCRGSGKOMK-NEPJUHHUSA-N 0 3 238.331 0.577 20 0 BCADHN CN(C(=O)CN1CC[C@@H]2COC[C@@H]2C1)C1CC1 ZINC000662033033 411950254 /nfs/dbraw/zinc/95/02/54/411950254.db2.gz KJPUYUAEICLCJV-MNOVXSKESA-N 0 3 238.331 0.576 20 0 BCADHN Cn1cncc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000662038815 411955235 /nfs/dbraw/zinc/95/52/35/411955235.db2.gz TXJOLOGUZJGHHP-MNOVXSKESA-N 0 3 221.304 0.888 20 0 BCADHN Nc1ccc(NC(=O)[C@H](N)C2CCC2)cn1 ZINC000422545718 411956535 /nfs/dbraw/zinc/95/65/35/411956535.db2.gz XOGDEEHWQVWSPN-SNVBAGLBSA-N 0 3 220.276 0.730 20 0 BCADHN Nc1ccc(NC(=O)C2(N)CCC2)cn1 ZINC000576636740 411957600 /nfs/dbraw/zinc/95/76/00/411957600.db2.gz GRVCDCHQFHTIMT-UHFFFAOYSA-N 0 3 206.249 0.484 20 0 BCADHN Cn1ccc(CN2CC[C@H]3COC[C@H]3C2)cc1=O ZINC000662039905 411958515 /nfs/dbraw/zinc/95/85/15/411958515.db2.gz PQMBSKFFDPAXAM-QWHCGFSZSA-N 0 3 248.326 0.854 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662042195 411960894 /nfs/dbraw/zinc/96/08/94/411960894.db2.gz XPEFVDMRAKCLRV-TUAOUCFPSA-N 0 3 240.347 0.869 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H]2COC[C@H]2C1 ZINC000662045363 411962400 /nfs/dbraw/zinc/96/24/00/411962400.db2.gz XYOSOEMWRLIGQS-VXGBXAGGSA-N 0 3 240.347 0.823 20 0 BCADHN Cc1nc(N)nc(N2CCN3CCC2CC3)n1 ZINC000631238035 411963045 /nfs/dbraw/zinc/96/30/45/411963045.db2.gz FCNDFHPEMYGFJZ-UHFFFAOYSA-N 0 3 234.307 0.047 20 0 BCADHN CC1(C)Cc2n[nH]cc2CN(CCO)C1 ZINC000664869444 412035864 /nfs/dbraw/zinc/03/58/64/412035864.db2.gz WTMTXHWVNBLOPN-UHFFFAOYSA-N 0 3 209.293 0.786 20 0 BCADHN CO[C@@]1(C)C[C@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000664897273 412040986 /nfs/dbraw/zinc/04/09/86/412040986.db2.gz QPOMQVSLZDFLPL-NGZCFLSTSA-N 0 3 229.324 0.413 20 0 BCADHN CC[C@@H]1COCCN1C[C@H]1CCC2(CNC2)O1 ZINC000662252893 412048440 /nfs/dbraw/zinc/04/84/40/412048440.db2.gz RBCOLDAPXSKGOJ-VXGBXAGGSA-N 0 3 240.347 0.618 20 0 BCADHN CCCCN(CCOC)C[C@@H]1CNCCO1 ZINC000662254936 412048824 /nfs/dbraw/zinc/04/88/24/412048824.db2.gz MXMIHXGEIYKWMP-LBPRGKRZSA-N 0 3 230.352 0.723 20 0 BCADHN CN(Cc1cc[nH]n1)C[C@@H]1CCC2(CNC2)O1 ZINC000662263894 412056735 /nfs/dbraw/zinc/05/67/35/412056735.db2.gz QCKKIFZUUBIEOH-NSHDSACASA-N 0 3 236.319 0.363 20 0 BCADHN CC[C@@H]1CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC000125311205 171015037 /nfs/dbraw/zinc/01/50/37/171015037.db2.gz ONWLOOMHNKSTTL-JGVFFNPUSA-N 0 3 213.281 0.302 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N1CCNS(C)(=O)=O ZINC000357531886 171039143 /nfs/dbraw/zinc/03/91/43/171039143.db2.gz RZHBZNSBYRPNFQ-NXEZZACHSA-N 0 3 234.365 0.799 20 0 BCADHN CC[C@@H]1CC[C@H]1N[C@@H]1CCS(=O)(=O)C1 ZINC000307712227 171061169 /nfs/dbraw/zinc/06/11/69/171061169.db2.gz WIXVDLOHRXERED-OPRDCNLKSA-N 0 3 217.334 0.952 20 0 BCADHN CC[C@H](C(=O)N1C[C@H](O)[C@H](CC)C1)N(C)C ZINC000340775806 171066845 /nfs/dbraw/zinc/06/68/45/171066845.db2.gz NSKWAGTXKAALDR-MXWKQRLJSA-N 0 3 228.336 0.556 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](N)C(C)C)C[C@H](C)O1 ZINC000236920399 171067118 /nfs/dbraw/zinc/06/71/18/171067118.db2.gz QQRISZDLVBHZCS-AXFHLTTASA-N 0 3 228.336 0.996 20 0 BCADHN CC[C@@H]1CN(C(=O)N[C@H](C)CN(C)C)CCO1 ZINC000358490140 171067386 /nfs/dbraw/zinc/06/73/86/171067386.db2.gz CYSNEKUVDDJJLA-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN CC[C@@H]1CN(CCN2CCO[C@@H](C)C2)C[C@@H]1O ZINC000337318925 171081598 /nfs/dbraw/zinc/08/15/98/171081598.db2.gz NHFPADUQNXUJBU-XQQFMLRXSA-N 0 3 242.363 0.410 20 0 BCADHN CC[C@@H]1CN(CCn2cncn2)CCCO1 ZINC000336661075 171083403 /nfs/dbraw/zinc/08/34/03/171083403.db2.gz CARFILNEDQBVGJ-LLVKDONJSA-N 0 3 224.308 0.779 20 0 BCADHN CC[C@@H]1CN(C[C@@H](O)COC)CCS1 ZINC000127224683 171084476 /nfs/dbraw/zinc/08/44/76/171084476.db2.gz BIDFRCFBQAKTOJ-NXEZZACHSA-N 0 3 219.350 0.821 20 0 BCADHN CC[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@@H]1O ZINC000359605310 171086290 /nfs/dbraw/zinc/08/62/90/171086290.db2.gz UWFKEZPIBFLLPK-CSMHCCOUSA-N 0 3 227.226 0.612 20 0 BCADHN CC[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC000270852982 171087507 /nfs/dbraw/zinc/08/75/07/171087507.db2.gz HCVDUAIXJHBIPX-DGCLKSJQSA-N 0 3 248.326 0.988 20 0 BCADHN CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)[C@@H](C)N ZINC000370767543 171099380 /nfs/dbraw/zinc/09/93/80/171099380.db2.gz VBWBZBCTJAYUKF-IJLUTSLNSA-N 0 3 239.363 0.809 20 0 BCADHN CC[C@@H]1COCCN1C(=O)CN(C)C(C)C ZINC000115510277 171102900 /nfs/dbraw/zinc/10/29/00/171102900.db2.gz ZAHMQGXWYYLVGH-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@@H]1COCCN1C(=O)N[C@H](C)CN(C)C ZINC000358522346 171104024 /nfs/dbraw/zinc/10/40/24/171104024.db2.gz KHSAHNSHWLYOFX-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN CC[C@@H]1COCCN1C(=O)[C@@H](N)C(C)C ZINC000036326576 171104516 /nfs/dbraw/zinc/10/45/16/171104516.db2.gz HWUQIACWGDVUMQ-ZJUUUORDSA-N 0 3 214.309 0.607 20 0 BCADHN CC[C@@H]1CO[C@@H](C)CN1C(=O)CNCCOC ZINC000105900084 171108901 /nfs/dbraw/zinc/10/89/01/171108901.db2.gz PTSTWEWHOHTJLA-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN CCN1CC[C@H](N2C[C@H]3CCC[C@@H](C2)N3)C1=O ZINC000662277512 412069364 /nfs/dbraw/zinc/06/93/64/412069364.db2.gz VLLVGVVKVPDPLO-TUAOUCFPSA-N 0 3 237.347 0.434 20 0 BCADHN CC[C@@](C)(NCCOCC(C)C)C(N)=O ZINC000308953361 171175327 /nfs/dbraw/zinc/17/53/27/171175327.db2.gz IAEFDPTXIJHCQA-LLVKDONJSA-N 0 3 216.325 0.903 20 0 BCADHN CC(C)[C@@H]1CN(C[C@@H]2CNCCO2)CCO1 ZINC000662278937 412071384 /nfs/dbraw/zinc/07/13/84/412071384.db2.gz OBDPAZFCXRAOFY-RYUDHWBXSA-N 0 3 228.336 0.332 20 0 BCADHN CC[C@@](C)(O)CNC(=O)/C=C/CN(C)C ZINC000266617595 171179892 /nfs/dbraw/zinc/17/98/92/171179892.db2.gz YRVJQVUZLQCUOL-XUIVZRPNSA-N 0 3 214.309 0.381 20 0 BCADHN CC[C@@](C)(O)CNC(=O)Cc1nc[nH]c1C ZINC000278975461 171180527 /nfs/dbraw/zinc/18/05/27/171180527.db2.gz XZTOYQAGUJYKPK-LLVKDONJSA-N 0 3 225.292 0.538 20 0 BCADHN CC[C@@](C)(O)CNCc1ccnc(OC)n1 ZINC000294883009 171183846 /nfs/dbraw/zinc/18/38/46/171183846.db2.gz XSUFTAILMMMZAM-LLVKDONJSA-N 0 3 225.292 0.736 20 0 BCADHN CC[C@@](C)(O)CNCc1cnn(C)c1C ZINC000086552155 171184425 /nfs/dbraw/zinc/18/44/25/171184425.db2.gz HNRRKBNUSGUYAB-LLVKDONJSA-N 0 3 211.309 0.979 20 0 BCADHN CC[C@@](C)(O)CN[C@H](C)CS(=O)(=O)CC ZINC000121053938 171186290 /nfs/dbraw/zinc/18/62/90/171186290.db2.gz MOEIDGNAPCYICC-NXEZZACHSA-N 0 3 237.365 0.560 20 0 BCADHN CC[C@@]1(C)CCN(CCN2C(=O)CNC2=O)C1 ZINC000336682417 171201018 /nfs/dbraw/zinc/20/10/18/171201018.db2.gz DGCJLWJCHXDMGB-LBPRGKRZSA-N 0 3 239.319 0.660 20 0 BCADHN CC[C@H](C(=O)N(C)C[C@@H](C)O)N(C)C ZINC000122029311 171220124 /nfs/dbraw/zinc/22/01/24/171220124.db2.gz VJSZYWFEYQWMSR-RKDXNWHRSA-N 0 3 202.298 0.166 20 0 BCADHN CC[C@H](C(=O)N(C)C[C@@H](C)C(=O)OC)N(C)C ZINC000126404938 171220343 /nfs/dbraw/zinc/22/03/43/171220343.db2.gz NSCHQVAJMVGASE-NXEZZACHSA-N 0 3 244.335 0.594 20 0 BCADHN CC[C@H](C(=O)N(C)CCOCCOC)N(C)C ZINC000356589734 171220569 /nfs/dbraw/zinc/22/05/69/171220569.db2.gz BJWUMGABMFDULL-LLVKDONJSA-N 0 3 246.351 0.448 20 0 BCADHN CC[C@H](C(=O)N(CC)C[C@@H](C)O)N(C)C ZINC000341369841 171222090 /nfs/dbraw/zinc/22/20/90/171222090.db2.gz MAUVGRSGGMJAAS-NXEZZACHSA-N 0 3 216.325 0.556 20 0 BCADHN CC[C@H](C(=O)N1CC([C@@H]2CCOC2)C1)N(C)C ZINC000377413029 171222192 /nfs/dbraw/zinc/22/21/92/171222192.db2.gz PFAVPMRVYQJDLD-ZYHUDNBSSA-N 0 3 240.347 0.822 20 0 BCADHN CC[C@H](C(=O)N(C)Cc1cnccn1)N(C)C ZINC000177955641 171222311 /nfs/dbraw/zinc/22/23/11/171222311.db2.gz BVKHXEWVUUVQAY-LLVKDONJSA-N 0 3 236.319 0.775 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H](N(C)C)C1)[C@H](C)O ZINC000357573491 171224726 /nfs/dbraw/zinc/22/47/26/171224726.db2.gz ZSKVZWAZFKUOTP-SRVKXCTJSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](C(=O)NCCC(=O)OC)N(C)C ZINC000124701759 171226778 /nfs/dbraw/zinc/22/67/78/171226778.db2.gz FWBVQMKXIGDOQG-MRVPVSSYSA-N 0 3 216.281 0.006 20 0 BCADHN CC[C@H](C(=O)NCC[C@H](C)O)N(CC)CC ZINC000346237466 171227926 /nfs/dbraw/zinc/22/79/26/171227926.db2.gz MMXBNVJRPXHTSJ-WDEREUQCSA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@H](C(=O)NCCOCCOC)N(C)C ZINC000124967076 171228144 /nfs/dbraw/zinc/22/81/44/171228144.db2.gz LAZANZUOIPZBIK-SNVBAGLBSA-N 0 3 232.324 0.106 20 0 BCADHN CC[C@H](C(=O)NCCN1CCCCC1)[C@H](C)O ZINC000357286843 171228613 /nfs/dbraw/zinc/22/86/13/171228613.db2.gz FVYYLXDQUMQEAA-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C(=O)NCCN1CCCC1)N(C)C ZINC000359416602 171228690 /nfs/dbraw/zinc/22/86/90/171228690.db2.gz HMQLDHJLGKCBBT-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN CC[C@H](C(=O)NCCc1nnc(C)[nH]1)N(C)C ZINC000269890866 171228860 /nfs/dbraw/zinc/22/88/60/171228860.db2.gz BKFDBOSDJYOOJF-SECBINFHSA-N 0 3 239.323 0.112 20 0 BCADHN CC[C@H](C(=O)NCCc1ccon1)N(C)C ZINC000271387774 171229019 /nfs/dbraw/zinc/22/90/19/171229019.db2.gz LAXAUTAJRCIENN-SNVBAGLBSA-N 0 3 225.292 0.674 20 0 BCADHN CC[C@H](C(=O)NC[C@H](COC)OC)N(C)C ZINC000358375812 171229668 /nfs/dbraw/zinc/22/96/68/171229668.db2.gz LDCHWXKGAFPYJM-NXEZZACHSA-N 0 3 232.324 0.104 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](O)C(F)(F)F)N(C)C ZINC000332499400 171229819 /nfs/dbraw/zinc/22/98/19/171229819.db2.gz SVAARPWXZFLCSF-RNFRBKRXSA-N 0 3 242.241 0.366 20 0 BCADHN CC[C@H](C(=O)NCc1[nH]cnc1C)N(C)C ZINC000330422442 171231220 /nfs/dbraw/zinc/23/12/20/171231220.db2.gz HNGMLJIOGSFBNA-SNVBAGLBSA-N 0 3 224.308 0.675 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)C(=O)OC)N(C)C ZINC000124699973 171231584 /nfs/dbraw/zinc/23/15/84/171231584.db2.gz SIGDRTKNLMWYBC-JGVFFNPUSA-N 0 3 216.281 0.004 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)CCO)N(CC)CC ZINC000340009731 171231821 /nfs/dbraw/zinc/23/18/21/171231821.db2.gz MEYWNRYIAPGJLC-WDEREUQCSA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)CN(C)C)C(=O)OC ZINC000346135905 171231900 /nfs/dbraw/zinc/23/19/00/171231900.db2.gz KYZQMCSLPDQSOZ-DTWKUNHWSA-N 0 3 230.308 0.252 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)C[C@H](C)O)N(C)C ZINC000332430186 171232901 /nfs/dbraw/zinc/23/29/01/171232901.db2.gz APKHZMVOOIOPAI-KXUCPTDWSA-N 0 3 216.325 0.602 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@H](C(=O)OC)C(C)(C)C1 ZINC000377985067 171245241 /nfs/dbraw/zinc/24/52/41/171245241.db2.gz FLRISDJFSPSPFZ-RKDXNWHRSA-N 0 3 242.319 0.381 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000378448028 171245671 /nfs/dbraw/zinc/24/56/71/171245671.db2.gz CPOUSYPUQPDJAX-HBNTYKKESA-N 0 3 225.336 0.276 20 0 BCADHN CC[C@H](C)C(=O)NC[C@@H]1CCCCN1CCO ZINC000331287800 171251330 /nfs/dbraw/zinc/25/13/30/171251330.db2.gz ALJNIXVMDZFCLT-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C)CN(C)CCN1CCCS1(=O)=O ZINC000336678433 171273112 /nfs/dbraw/zinc/27/31/12/171273112.db2.gz OOZSUHZXFLKDLT-NSHDSACASA-N 0 3 248.392 1.000 20 0 BCADHN CC[C@H](C)CN(C)CCNS(=O)(=O)CC ZINC000111253076 171273373 /nfs/dbraw/zinc/27/33/73/171273373.db2.gz MOHZJPIKZRXIGG-JTQLQIEISA-N 0 3 236.381 0.904 20 0 BCADHN CC[C@H](C)N(C)C(=O)[C@@]1(F)CCNC1 ZINC000366338209 171303952 /nfs/dbraw/zinc/30/39/52/171303952.db2.gz MLNAYBNQIFAWJE-WCBMZHEXSA-N 0 3 202.273 0.945 20 0 BCADHN CC[C@H](C)N(CCO)CC(=O)N(C)C ZINC000308530708 171313844 /nfs/dbraw/zinc/31/38/44/171313844.db2.gz KSGGBWNICVNRQC-VIFPVBQESA-N 0 3 202.298 0.167 20 0 BCADHN CC[C@H](C)NC(=O)C1(N)CCOCC1 ZINC000149628536 171321556 /nfs/dbraw/zinc/32/15/56/171321556.db2.gz TVEWMDNTFITBDS-QMMMGPOBSA-N 0 3 200.282 0.409 20 0 BCADHN CC[C@@H](C)N(CCO)CC(=O)N[C@@H](C)CC ZINC000309359903 171324042 /nfs/dbraw/zinc/32/40/42/171324042.db2.gz ZDHNYYQGGDPAAC-WDEREUQCSA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@](C)(C(N)=O)C1 ZINC000361566324 171324949 /nfs/dbraw/zinc/32/49/49/171324949.db2.gz PUMKYCNYCUMHBT-CABZTGNLSA-N 0 3 241.335 0.098 20 0 BCADHN CC[C@H](C)NC(=O)CN1C[C@H](C)[C@H](CO)C1 ZINC000362076416 171325753 /nfs/dbraw/zinc/32/57/53/171325753.db2.gz LAPROKAVHYXWOP-DCAQKATOSA-N 0 3 228.336 0.461 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NC1CCOCC1 ZINC000036319725 171370270 /nfs/dbraw/zinc/37/02/70/171370270.db2.gz ONPYRBGCHKAAMY-WCBMZHEXSA-N 0 3 214.309 0.655 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000036999418 171371301 /nfs/dbraw/zinc/37/13/01/171371301.db2.gz XQEVGOFTPCKMSZ-GARJFASQSA-N 0 3 238.335 0.761 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCc1cnn(C)c1 ZINC000041055090 171371328 /nfs/dbraw/zinc/37/13/28/171371328.db2.gz SBBJLDBTYIOPHU-WCBMZHEXSA-N 0 3 224.308 0.410 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)c1ncon1 ZINC000125507327 171371430 /nfs/dbraw/zinc/37/14/30/171371430.db2.gz QBBVACLGYDHFIX-BIIVOSGPSA-N 0 3 226.280 0.620 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)Cn1cccn1 ZINC000036999204 171371763 /nfs/dbraw/zinc/37/17/63/171371763.db2.gz DWLGMEKKHURUHJ-GARJFASQSA-N 0 3 238.335 0.761 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)COCCOC ZINC000353728702 171371775 /nfs/dbraw/zinc/37/17/75/171371775.db2.gz XYUMCZJXNZUJHG-GARJFASQSA-N 0 3 246.351 0.528 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000353211285 171372598 /nfs/dbraw/zinc/37/25/98/171372598.db2.gz HNBCFOPDFLTLDR-INTQDDNPSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)CN(C)C(C)C ZINC000305053709 171376515 /nfs/dbraw/zinc/37/65/15/171376515.db2.gz IJPDJJNAGVSXSL-QWRGUYRKSA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@H](N)C(C)C ZINC000309377301 171377638 /nfs/dbraw/zinc/37/76/38/171377638.db2.gz CUVHWXBVPGZJLP-LPEHRKFASA-N 0 3 216.325 0.493 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000352990914 171387286 /nfs/dbraw/zinc/38/72/86/171387286.db2.gz OQIGKIOBBRYPJY-CIUDSAMLSA-N 0 3 235.349 0.970 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)c1cnn(C)c1 ZINC000262627506 171392779 /nfs/dbraw/zinc/39/27/79/171392779.db2.gz CGUDMWJZLJENMQ-WPRPVWTQSA-N 0 3 224.308 0.756 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)CCCOC ZINC000062033464 171392950 /nfs/dbraw/zinc/39/29/50/171392950.db2.gz MFGPREQRBRBIPR-UWVGGRQHSA-N 0 3 216.325 0.855 20 0 BCADHN CC[C@H](C)[C@H](CNCc1cnnn1C)OC ZINC000362974796 171393536 /nfs/dbraw/zinc/39/35/36/171393536.db2.gz BYRMKFNPMNAUHO-ONGXEEELSA-N 0 3 226.324 0.966 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000040457843 171394571 /nfs/dbraw/zinc/39/45/71/171394571.db2.gz LEGMXQKXJHIAHM-NAKRPEOUSA-N 0 3 228.336 0.996 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCN(C(C)C)CC1 ZINC000036190053 171394688 /nfs/dbraw/zinc/39/46/88/171394688.db2.gz SYVOFLNKVQHLQI-RYUDHWBXSA-N 0 3 241.379 0.912 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCNC(=O)C(C)C ZINC000040806636 171394952 /nfs/dbraw/zinc/39/49/52/171394952.db2.gz DUAGPHUPHZHJLE-UWVGGRQHSA-N 0 3 243.351 0.248 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1ccnc(C)n1 ZINC000038038151 171395290 /nfs/dbraw/zinc/39/52/90/171395290.db2.gz RJNAQEXTGIJSSJ-KWQFWETISA-N 0 3 236.319 0.775 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)/C=C/CN(C)C ZINC000268639869 171401387 /nfs/dbraw/zinc/40/13/87/171401387.db2.gz UGAUULAHALOSJC-FQLSZKSXSA-N 0 3 228.336 0.627 20 0 BCADHN CCc1c[nH]c(=O)c(C(=O)NCCN(C)C)c1 ZINC000665111516 412096559 /nfs/dbraw/zinc/09/65/59/412096559.db2.gz CAUNABGUXVGWHK-UHFFFAOYSA-N 0 3 237.303 0.641 20 0 BCADHN Cc1ccn2cnc(C(=O)NCCN(C)C)c2c1 ZINC000665112723 412099171 /nfs/dbraw/zinc/09/91/71/412099171.db2.gz UVWLTBBBQXHCGA-UHFFFAOYSA-N 0 3 246.314 0.934 20 0 BCADHN CCOC1(C(=O)NCCN(C)C)CCOCC1 ZINC000665111544 412099668 /nfs/dbraw/zinc/09/96/68/412099668.db2.gz DCPPIRWQGMLSAA-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN N[C@@H]1CN(Cc2noc(C3CC3)n2)CC[C@H]1F ZINC000662322863 412100366 /nfs/dbraw/zinc/10/03/66/412100366.db2.gz ONMCTDAXAROOFO-RKDXNWHRSA-N 0 3 240.282 0.818 20 0 BCADHN CCc1nc(CN2CC[C@@H](F)[C@H](N)C2)no1 ZINC000662322662 412100516 /nfs/dbraw/zinc/10/05/16/412100516.db2.gz MZQLZWNJTWZBJH-HTQZYQBOSA-N 0 3 228.271 0.503 20 0 BCADHN CO[C@H](C(=O)NCCN(C)C)C1CCCC1 ZINC000665113298 412100540 /nfs/dbraw/zinc/10/05/40/412100540.db2.gz ZKYOGKILQVCGJI-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CO[C@@H]1CC[C@@H](C(=O)NCCN(C)C)C1 ZINC000665113155 412101015 /nfs/dbraw/zinc/10/10/15/412101015.db2.gz YFSTYDDWRNVTGZ-NXEZZACHSA-N 0 3 214.309 0.479 20 0 BCADHN Cc1noc(CCCN2CC[C@@H](F)[C@H](N)C2)n1 ZINC000662321787 412101278 /nfs/dbraw/zinc/10/12/78/412101278.db2.gz DKYOEXKYRSNCEK-NXEZZACHSA-N 0 3 242.298 0.682 20 0 BCADHN Cc1nc(CN2CC[C@@H](F)[C@H](N)C2)co1 ZINC000662325320 412102026 /nfs/dbraw/zinc/10/20/26/412102026.db2.gz DWHOUTDDYGUEPS-NXEZZACHSA-N 0 3 213.256 0.854 20 0 BCADHN Cc1cc(CN2CC[C@@H](F)[C@H](N)C2)no1 ZINC000662323595 412102116 /nfs/dbraw/zinc/10/21/16/412102116.db2.gz YRDKGFBQBQLUFS-NXEZZACHSA-N 0 3 213.256 0.854 20 0 BCADHN CC(C)n1ncnc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000662324992 412102468 /nfs/dbraw/zinc/10/24/68/412102468.db2.gz ADICQIBYUYMQRZ-NXEZZACHSA-N 0 3 241.314 0.730 20 0 BCADHN Cc1cnn(CCN2CC[C@@H](F)[C@H](N)C2)c1 ZINC000662325396 412103476 /nfs/dbraw/zinc/10/34/76/412103476.db2.gz FRWAUQVUWFWPLK-GHMZBOCLSA-N 0 3 226.299 0.563 20 0 BCADHN CN([C@H](CN)C(F)(F)F)[C@@H]1CCN(C)C1=O ZINC000662331033 412105292 /nfs/dbraw/zinc/10/52/92/412105292.db2.gz FEXKJAWEPNOSSH-RNFRBKRXSA-N 0 3 239.241 0.039 20 0 BCADHN CC[C@H](NC)C(=O)Nc1cnn(CCOC)c1 ZINC000662389954 412142068 /nfs/dbraw/zinc/14/20/68/412142068.db2.gz GXNDYVMUDNMWMT-JTQLQIEISA-N 0 3 240.307 0.466 20 0 BCADHN C[C@@H](C(=O)N(C)C)N(C)[C@H](CN)C(F)(F)F ZINC000662332186 412105880 /nfs/dbraw/zinc/10/58/80/412105880.db2.gz NZMVKDBKVRAEAR-NKWVEPMBSA-N 0 3 241.257 0.285 20 0 BCADHN CN(CC(=O)N1CCNC1=O)C[C@@H]1CC1(C)C ZINC000662348280 412118981 /nfs/dbraw/zinc/11/89/81/412118981.db2.gz SJEXQEHYUIIKJD-VIFPVBQESA-N 0 3 239.319 0.516 20 0 BCADHN CC[C@@H](NC)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000662353538 412120752 /nfs/dbraw/zinc/12/07/52/412120752.db2.gz HVQCVENUXODFSB-SECBINFHSA-N 0 3 243.351 0.358 20 0 BCADHN CC[C@H](NC)C(=O)N(C)CC(=O)N(CC)CC ZINC000662356168 412121497 /nfs/dbraw/zinc/12/14/97/412121497.db2.gz IXCNBBINANTATI-JTQLQIEISA-N 0 3 243.351 0.311 20 0 BCADHN CC[C@H](NC)C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000662362884 412123487 /nfs/dbraw/zinc/12/34/87/412123487.db2.gz HZMYXZANTJFZBD-QWRGUYRKSA-N 0 3 249.314 0.327 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000134203172 412124768 /nfs/dbraw/zinc/12/47/68/412124768.db2.gz GUZANGGUPWGFSL-ZYHUDNBSSA-N 0 3 241.335 0.241 20 0 BCADHN CC(C)NCC(=O)NC1=CC=NCC1=O ZINC000662452905 412180160 /nfs/dbraw/zinc/18/01/60/412180160.db2.gz QNVHUACHUGIPMM-UHFFFAOYSA-N 0 3 209.249 0.146 20 0 BCADHN CN(C)CCn1ccc(NCC2(F)CC2)n1 ZINC000381565728 412180974 /nfs/dbraw/zinc/18/09/74/412180974.db2.gz UERMAJIPGGHXTC-UHFFFAOYSA-N 0 3 226.299 1.359 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1COc2ccccc21 ZINC000070069109 171483102 /nfs/dbraw/zinc/48/31/02/171483102.db2.gz XXNWBVGYWVYDOF-UWVGGRQHSA-N 0 3 220.272 0.974 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1ncccc1N ZINC000132674617 412192032 /nfs/dbraw/zinc/19/20/32/412192032.db2.gz QLGRKNWNYKDSLP-SNVBAGLBSA-N 0 3 248.330 0.830 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000662504036 412197429 /nfs/dbraw/zinc/19/74/29/412197429.db2.gz ZNJFTVVLEGZITI-UKKRHICBSA-N 0 3 226.320 0.668 20 0 BCADHN CC(C)NCC(=O)NCC1([C@H](O)C(C)C)CC1 ZINC000662510723 412200293 /nfs/dbraw/zinc/20/02/93/412200293.db2.gz FFBQJIGDNRYVFN-GFCCVEGCSA-N 0 3 242.363 0.898 20 0 BCADHN C[C@@H]1CN(C(=O)c2cnc3n2CCC3)[C@@H](C)CN1 ZINC000662514364 412201546 /nfs/dbraw/zinc/20/15/46/412201546.db2.gz MWCZXUXHQHACRB-ZJUUUORDSA-N 0 3 248.330 0.652 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)CNC(C)C ZINC000662529999 412205446 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/nfs/dbraw/zinc/28/67/08/412286708.db2.gz PABIXYHDGCKWQH-UHFFFAOYSA-N 0 3 234.303 0.701 20 0 BCADHN CC(C)NCC(=O)N(C)Cc1c[nH]cn1 ZINC000662586631 412231048 /nfs/dbraw/zinc/23/10/48/412231048.db2.gz XLMVOOVCAXLYDY-UHFFFAOYSA-N 0 3 210.281 0.366 20 0 BCADHN CC[C@H](NC)C(=O)N(CC)c1cnn(C)c1 ZINC000662585928 412231167 /nfs/dbraw/zinc/23/11/67/412231167.db2.gz MJZZARONNAWNDD-JTQLQIEISA-N 0 3 224.308 0.771 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@@H](C2CCC2)C1 ZINC000665288536 412233310 /nfs/dbraw/zinc/23/33/10/412233310.db2.gz PVAZIZSYAIVTBP-MNOVXSKESA-N 0 3 208.305 0.997 20 0 BCADHN C[C@H](NCCNc1cnccn1)c1cnn(C)c1 ZINC000361979652 412236987 /nfs/dbraw/zinc/23/69/87/412236987.db2.gz BEQUSMDTUKIUGJ-JTQLQIEISA-N 0 3 246.318 0.973 20 0 BCADHN CC[C@H](COC)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665292079 412238044 /nfs/dbraw/zinc/23/80/44/412238044.db2.gz SDESJQJBAQLTQV-MRVPVSSYSA-N 0 3 240.307 0.156 20 0 BCADHN C[C@@H](CCCO)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662611450 412240775 /nfs/dbraw/zinc/24/07/75/412240775.db2.gz KPWMCWCHIJUQLD-JTQLQIEISA-N 0 3 240.347 0.925 20 0 BCADHN Nc1cccc(CNC(=O)C(N)C(F)(F)F)c1 ZINC000662614099 412241380 /nfs/dbraw/zinc/24/13/80/412241380.db2.gz OZPNRUIZLLWCSJ-MRVPVSSYSA-N 0 3 247.220 0.775 20 0 BCADHN CCC[C@](C)(N)C(=O)NCC[C@@H](COC)OC ZINC000662618458 412244741 /nfs/dbraw/zinc/24/47/41/412244741.db2.gz XPDKOGUXTGQBTG-JQWIXIFHSA-N 0 3 246.351 0.672 20 0 BCADHN CC(C)NCC(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000662626907 412246843 /nfs/dbraw/zinc/24/68/43/412246843.db2.gz MWNXBLOJSXHLOH-UWVGGRQHSA-N 0 3 241.335 0.145 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1CCc2nccnc2C1 ZINC000662733701 412288254 /nfs/dbraw/zinc/28/82/54/412288254.db2.gz JQVGYTWYPXRZJX-SNVBAGLBSA-N 0 3 248.330 0.735 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000662804288 412305982 /nfs/dbraw/zinc/30/59/82/412305982.db2.gz CXSLKNFSVKUAPX-ZDCRXTMVSA-N 0 3 238.331 0.668 20 0 BCADHN CN[C@@H](C)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000662803287 412306463 /nfs/dbraw/zinc/30/64/63/412306463.db2.gz HEHYONJCOSGZFT-IVZWLZJFSA-N 0 3 214.309 0.214 20 0 BCADHN CC(C)NCC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000662803553 412306523 /nfs/dbraw/zinc/30/65/23/412306523.db2.gz IVPZHOCGRRSKPD-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)NCC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000662803392 412306712 /nfs/dbraw/zinc/30/67/12/412306712.db2.gz IVPZHOCGRRSKPD-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)NCC(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000662821796 412310686 /nfs/dbraw/zinc/31/06/86/412310686.db2.gz YHJATMGVFDXCNM-MNOVXSKESA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@@H]1CCCN(C(=O)C2(N)CCC2)CC1 ZINC000662836460 412316168 /nfs/dbraw/zinc/31/61/68/412316168.db2.gz ZSFIAQXDSHWBDU-SNVBAGLBSA-N 0 3 226.320 0.895 20 0 BCADHN COCCNCC(=O)N1CCC[C@H](OC)CC1 ZINC000662835847 412316323 /nfs/dbraw/zinc/31/63/23/412316323.db2.gz SGHAYCFWPADOLA-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CO[C@@H]1CCCN(C(=O)C(C)(C)N)CC1 ZINC000662835659 412316485 /nfs/dbraw/zinc/31/64/85/412316485.db2.gz QZDRBDFHAMUJRL-SECBINFHSA-N 0 3 214.309 0.751 20 0 BCADHN Cc1cc(C)nc(NCCN2CC[C@H](O)C2)n1 ZINC000624774959 412317046 /nfs/dbraw/zinc/31/70/46/412317046.db2.gz PASVJWSNHIDZRW-NSHDSACASA-N 0 3 236.319 0.572 20 0 BCADHN Cc1c(CN)c(NC(=O)[C@@H]2C[C@@H]2C)nn1C ZINC000662838823 412317168 /nfs/dbraw/zinc/31/71/68/412317168.db2.gz KOZCHRYQILMRNA-POYBYMJQSA-N 0 3 222.292 0.782 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N(C)Cc2c[nH]cn2)C1 ZINC000662839737 412318248 /nfs/dbraw/zinc/31/82/48/412318248.db2.gz WMJXKQZXWUQIHZ-MWLCHTKSSA-N 0 3 236.319 0.756 20 0 BCADHN COC[C@H](CCNC(=O)[C@@H](N)C(C)(C)C)OC ZINC000662847488 412320249 /nfs/dbraw/zinc/32/02/49/412320249.db2.gz FOPGZSJXHVMPCM-VHSXEESVSA-N 0 3 246.351 0.528 20 0 BCADHN CC[C@H](N)C(=O)NC1(COC)CCCC1 ZINC000662848223 412321056 /nfs/dbraw/zinc/32/10/56/412321056.db2.gz WJROSEFWZQIRKD-VIFPVBQESA-N 0 3 214.309 0.799 20 0 BCADHN O=C(N[C@H](CO)C1CCC1)[C@H]1CCCCN1 ZINC000662851328 412322644 /nfs/dbraw/zinc/32/26/44/412322644.db2.gz YWKDSHZPHAGGFM-GHMZBOCLSA-N 0 3 226.320 0.406 20 0 BCADHN CO[C@@H]1CCCN(C(=O)COC2(C)CNC2)C1 ZINC000219018774 412324185 /nfs/dbraw/zinc/32/41/85/412324185.db2.gz OKUXGNFVZBUCTK-SNVBAGLBSA-N 0 3 242.319 0.002 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC/C=C\CO ZINC000662856426 412325220 /nfs/dbraw/zinc/32/52/20/412325220.db2.gz TUKZHNHBJSZTDV-NSVKDGAOSA-N 0 3 200.282 0.025 20 0 BCADHN O=C(NC/C=C\CO)c1cccc2c1CNC2 ZINC000662858729 412326287 /nfs/dbraw/zinc/32/62/87/412326287.db2.gz HRNKNMOJOIHGPO-UPHRSURJSA-N 0 3 232.283 0.568 20 0 BCADHN O=C(C[C@@H]1NCc2ccccc21)NC/C=C\CO ZINC000662858288 412326482 /nfs/dbraw/zinc/32/64/82/412326482.db2.gz GCGWWXOSGQMVLK-SCOBNMCVSA-N 0 3 246.310 0.886 20 0 BCADHN O=C(NC/C=C/CO)c1cccc2c1CCNC2 ZINC000662858790 412326554 /nfs/dbraw/zinc/32/65/54/412326554.db2.gz IEYOYROWTXVAPY-OWOJBTEDSA-N 0 3 246.310 0.611 20 0 BCADHN NC1(C(=O)NC/C=C\CO)CC2(CCC2)C1 ZINC000662857464 412327120 /nfs/dbraw/zinc/32/71/20/412327120.db2.gz BEBIIQPOSQJCAM-UPHRSURJSA-N 0 3 224.304 0.313 20 0 BCADHN CC1(C)CCCN[C@@H]1C(=O)NC/C=C/CO ZINC000662857604 412327191 /nfs/dbraw/zinc/32/71/91/412327191.db2.gz BMNVZOQYPSLLAD-HMDXOVGESA-N 0 3 226.320 0.429 20 0 BCADHN CC1(C)C[C@@H]1CNC(=O)COC1(C)CNC1 ZINC000219030059 412329165 /nfs/dbraw/zinc/32/91/65/412329165.db2.gz IKASDITXGPOSLN-SECBINFHSA-N 0 3 226.320 0.527 20 0 BCADHN CC1(C)C[C@H]1CNC(=O)COC1(C)CNC1 ZINC000219030121 412329259 /nfs/dbraw/zinc/32/92/59/412329259.db2.gz IKASDITXGPOSLN-VIFPVBQESA-N 0 3 226.320 0.527 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)C[C@@H]1COCCO1 ZINC000662872857 412330937 /nfs/dbraw/zinc/33/09/37/412330937.db2.gz DSBQYVKHFIHKRR-MXWKQRLJSA-N 0 3 244.335 0.234 20 0 BCADHN CN(C[C@@H]1COCCO1)C(=O)[C@H]1CCCCN1 ZINC000662872509 412331172 /nfs/dbraw/zinc/33/11/72/412331172.db2.gz BYDJHHOCUYKNIX-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000662879961 412335060 /nfs/dbraw/zinc/33/50/60/412335060.db2.gz HNLBGUMWKPUNSQ-BREBYQMCSA-N 0 3 240.347 0.855 20 0 BCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C1(N)CC1 ZINC000662886121 412336044 /nfs/dbraw/zinc/33/60/44/412336044.db2.gz BHAUCKUNXADKPC-NSHDSACASA-N 0 3 239.363 0.714 20 0 BCADHN CC(F)(F)CNC(=O)C[C@H]1CSCCN1 ZINC000662897079 412339197 /nfs/dbraw/zinc/33/91/97/412339197.db2.gz CKMWJZXSGKMKPY-ZETCQYMHSA-N 0 3 238.303 0.853 20 0 BCADHN CC(F)(F)CNC(=O)[C@H](N)C1CCC1 ZINC000662898557 412339894 /nfs/dbraw/zinc/33/98/94/412339894.db2.gz OEDFXUDKCHNYBR-SSDOTTSWSA-N 0 3 206.236 0.885 20 0 BCADHN COc1ccc(N(C)C(=O)[C@H](C)N)cn1 ZINC000662901631 412340762 /nfs/dbraw/zinc/34/07/62/412340762.db2.gz XQBFYIOXBFIYQD-ZETCQYMHSA-N 0 3 209.249 0.400 20 0 BCADHN O=C([C@H]1CCCCN1)N1CC[C@H]2C[C@H]2C1 ZINC000662913530 412341493 /nfs/dbraw/zinc/34/14/93/412341493.db2.gz MEGGYEUTIXZKNO-GARJFASQSA-N 0 3 208.305 0.997 20 0 BCADHN CCCCN(C)CCNc1ccc(=O)n(C)n1 ZINC000413143486 412341605 /nfs/dbraw/zinc/34/16/05/412341605.db2.gz RYMRKJQFRVBKGQ-UHFFFAOYSA-N 0 3 238.335 0.924 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000662907980 412342171 /nfs/dbraw/zinc/34/21/71/412342171.db2.gz RMLKKVPRKRVMAS-DGCLKSJQSA-N 0 3 240.347 0.999 20 0 BCADHN O=C([C@H]1CCCCN1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662918483 412344756 /nfs/dbraw/zinc/34/47/56/412344756.db2.gz INOZVLIZBYTUDW-GRYCIOLGSA-N 0 3 238.331 0.623 20 0 BCADHN CCCc1cc(NC(=O)[C@@H]2CCN(C)C2)n[nH]1 ZINC000386229749 412367495 /nfs/dbraw/zinc/36/74/95/412367495.db2.gz LZXBVKCMBCLCDF-SECBINFHSA-N 0 3 236.319 1.252 20 0 BCADHN NC1(C(=O)N2CCOc3ccc(O)cc3C2)CC1 ZINC000662928687 412347892 /nfs/dbraw/zinc/34/78/92/412347892.db2.gz QZOXLLFAIBZDIE-UHFFFAOYSA-N 0 3 248.282 0.605 20 0 BCADHN O=C(Nc1cc(-c2cccnc2)[nH]n1)[C@H]1CCN1 ZINC000519826779 412348055 /nfs/dbraw/zinc/34/80/55/412348055.db2.gz PFUJGRFEUTZATN-SECBINFHSA-N 0 3 243.270 0.772 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@H](COC)OC ZINC000665529787 412348208 /nfs/dbraw/zinc/34/82/08/412348208.db2.gz UTZRPIYPEKWSJG-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN CO[C@H](CNC(=O)CN)C1CCCCC1 ZINC000662928628 412348426 /nfs/dbraw/zinc/34/84/26/412348426.db2.gz RJRQUYVPACGHLT-SNVBAGLBSA-N 0 3 214.309 0.657 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)C1(N(C)C)CC1 ZINC000665529666 412348553 /nfs/dbraw/zinc/34/85/53/412348553.db2.gz QQDNIHRSKBSJPE-LLVKDONJSA-N 0 3 239.363 0.681 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1ncc[nH]1 ZINC000665529186 412349010 /nfs/dbraw/zinc/34/90/10/412349010.db2.gz CBDCQEYAYZMUDW-VIFPVBQESA-N 0 3 222.292 0.624 20 0 BCADHN O=C(Nc1cc(C2CC2)[nH]n1)[C@H]1CCN1 ZINC000335397601 412349670 /nfs/dbraw/zinc/34/96/70/412349670.db2.gz NAQBRRNMBGCITH-SSDOTTSWSA-N 0 3 206.249 0.588 20 0 BCADHN CC(C)NCC(=O)N[C@@H](C)c1nccn1C ZINC000662933990 412349912 /nfs/dbraw/zinc/34/99/12/412349912.db2.gz LHXJWHKKMWQINP-VIFPVBQESA-N 0 3 224.308 0.595 20 0 BCADHN O=C(Nc1cc(CC2CC2)[nH]n1)[C@@H]1CCCCN1 ZINC000639020603 412352143 /nfs/dbraw/zinc/35/21/43/412352143.db2.gz OJSURENQOCBNRP-NSHDSACASA-N 0 3 248.330 1.443 20 0 BCADHN C[C@H]1CN(C(=O)CN)C[C@H](CC(F)(F)F)O1 ZINC000662948642 412352266 /nfs/dbraw/zinc/35/22/66/412352266.db2.gz AIKWUELKIROBSR-BQBZGAKWSA-N 0 3 240.225 0.513 20 0 BCADHN CCCN[C@@H](C)C(=O)Nc1cc(CC)[nH]n1 ZINC000645768697 412354447 /nfs/dbraw/zinc/35/44/47/412354447.db2.gz XASALKVJALBXOV-QMMMGPOBSA-N 0 3 224.308 1.299 20 0 BCADHN CCCN1CC[C@H](Nc2ccc(C#N)nn2)C1 ZINC000396947424 412356195 /nfs/dbraw/zinc/35/61/95/412356195.db2.gz LQZQRERVPGNAME-NSHDSACASA-N 0 3 231.303 1.244 20 0 BCADHN O=C(Nc1cc[nH]n1)C1(NC2CC2)CCC1 ZINC000638801140 412357327 /nfs/dbraw/zinc/35/73/27/412357327.db2.gz UTYBOFGAKDYCGJ-UHFFFAOYSA-N 0 3 220.276 1.023 20 0 BCADHN COCCN1CC[C@@H](Nc2cccnn2)C1 ZINC000390524627 412368228 /nfs/dbraw/zinc/36/82/28/412368228.db2.gz GHIROWHUZCOQIP-SNVBAGLBSA-N 0 3 222.292 0.609 20 0 BCADHN Cc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)n1C ZINC000662747033 412289857 /nfs/dbraw/zinc/28/98/57/412289857.db2.gz QIDTWLMCORNFNT-NXEZZACHSA-N 0 3 239.294 0.845 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2cscn2)[C@@H](C)CN1 ZINC000662763665 412293966 /nfs/dbraw/zinc/29/39/66/412293966.db2.gz CIOGOHUAQFZZBF-BDAKNGLRSA-N 0 3 239.344 0.894 20 0 BCADHN Cc1cc(CC(=O)N2C[C@H](C)NC[C@H]2C)on1 ZINC000662763785 412294512 /nfs/dbraw/zinc/29/45/12/412294512.db2.gz DEVCAVDGKZTQFF-VHSXEESVSA-N 0 3 237.303 0.734 20 0 BCADHN CC(C)N1CC[C@H](Nc2cc(C#N)cnn2)C1 ZINC000396929007 412296164 /nfs/dbraw/zinc/29/61/64/412296164.db2.gz CEOGBYOGPPVWLE-NSHDSACASA-N 0 3 231.303 1.243 20 0 BCADHN Cc1nccnc1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000662776112 412299388 /nfs/dbraw/zinc/29/93/88/412299388.db2.gz UYFPKSYWIVFSPB-WPRPVWTQSA-N 0 3 234.303 0.607 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1ccnn1CC ZINC000663000322 412365982 /nfs/dbraw/zinc/36/59/82/412365982.db2.gz GIXLJTSNMCWMCN-ONGXEEELSA-N 0 3 238.335 0.893 20 0 BCADHN Cc1cc(CC(=O)NC[C@@H]2C[C@H](F)CN2)on1 ZINC000662779961 412300003 /nfs/dbraw/zinc/30/00/03/412300003.db2.gz PJLPXMVFVVNNHJ-IUCAKERBSA-N 0 3 241.266 0.342 20 0 BCADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CC1([NH3+])CC1 ZINC000662790503 412303019 /nfs/dbraw/zinc/30/30/19/412303019.db2.gz NSFNHMFZUDFXIW-UHFFFAOYSA-N 0 3 238.247 0.016 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000335368430 412303255 /nfs/dbraw/zinc/30/32/55/412303255.db2.gz JPZNBQJYQUNBEB-IUYQGCFVSA-N 0 3 234.181 0.714 20 0 BCADHN CC[C@H](NC)C(=O)N1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000662792333 412304259 /nfs/dbraw/zinc/30/42/59/412304259.db2.gz NBVDUNPTPKILGX-KXUCPTDWSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)(N)c1cc(C(=O)NCc2c[nH]cn2)on1 ZINC000662793479 412304896 /nfs/dbraw/zinc/30/48/96/412304896.db2.gz XBHVGRRITMVYEN-UHFFFAOYSA-N 0 3 249.274 0.522 20 0 BCADHN CC(C)(N)c1cc(C(=O)NCc2cnc[nH]2)on1 ZINC000662793479 412304900 /nfs/dbraw/zinc/30/49/00/412304900.db2.gz XBHVGRRITMVYEN-UHFFFAOYSA-N 0 3 249.274 0.522 20 0 BCADHN C[C@@]1(NC(=O)c2ccc3n[n-]nc3c2)CC[NH2+]C1 ZINC000663010903 412369497 /nfs/dbraw/zinc/36/94/97/412369497.db2.gz LYZSPMBGQDPXLE-GFCCVEGCSA-N 0 3 245.286 0.440 20 0 BCADHN Cc1cc(NC(=O)N[C@@H](C)CN(C)C)nn1C ZINC000350091341 412371875 /nfs/dbraw/zinc/37/18/75/412371875.db2.gz WHRBQETYUFTNJW-QMMMGPOBSA-N 0 3 239.323 0.800 20 0 BCADHN CC12CC(C1)CN2C(=O)[C@H](N)CC(F)F ZINC000663016468 412371923 /nfs/dbraw/zinc/37/19/23/412371923.db2.gz DRJLRHFALOPQMC-PRZNWYJVSA-N 0 3 218.247 0.980 20 0 BCADHN CCc1cc(C(=O)NC[C@H](C)N(C)C)[nH]n1 ZINC000298402724 171753352 /nfs/dbraw/zinc/75/33/52/171753352.db2.gz GVNNTYQEOVZCLP-QMMMGPOBSA-N 0 3 224.308 0.652 20 0 BCADHN CC1(C)CN(C(=O)C2(N)CC2)[C@H]1[C@H]1CCCO1 ZINC000663023480 412373470 /nfs/dbraw/zinc/37/34/70/412373470.db2.gz XEUJCDALJYGEHE-ZJUUUORDSA-N 0 3 238.331 0.894 20 0 BCADHN CC1(C)CN(C(=O)CN)[C@@H]1[C@H]1CCCO1 ZINC000663023197 412373629 /nfs/dbraw/zinc/37/36/29/412373629.db2.gz SWGOEVKGYJNKKW-PSASIEDQSA-N 0 3 212.293 0.361 20 0 BCADHN Cn1ccnc1[C@H]1N(C(=O)CN)CC1(C)C ZINC000663023151 412374070 /nfs/dbraw/zinc/37/40/70/412374070.db2.gz RZDRLPSNCBQXLR-SECBINFHSA-N 0 3 222.292 0.288 20 0 BCADHN C[C@@H](CNC(=O)CN1CCNCC1)C1CC1 ZINC000132969000 412378784 /nfs/dbraw/zinc/37/87/84/412378784.db2.gz LFTLUWXMNGJKSG-JTQLQIEISA-N 0 3 225.336 0.054 20 0 BCADHN Cc1cc(NCc2nc(C[NH3+])cc(=O)[n-]2)ncn1 ZINC000663277433 412406725 /nfs/dbraw/zinc/40/67/25/412406725.db2.gz OKXNDDIEFXXXTN-UHFFFAOYSA-N 0 3 246.274 0.351 20 0 BCADHN CCc1nc([C@H](C)NC(=O)CN)cs1 ZINC000083934150 172005415 /nfs/dbraw/zinc/00/54/15/172005415.db2.gz HKUUUUNSKDGGNF-LURJTMIESA-N 0 3 213.306 0.841 20 0 BCADHN CCc1nc([C@H](C)N[C@@H](C)CC(=O)NC)n[nH]1 ZINC000271562117 172006261 /nfs/dbraw/zinc/00/62/61/172006261.db2.gz UNQCEVCWGBWNIG-YUMQZZPRSA-N 0 3 239.323 0.542 20 0 BCADHN CCc1nc2n(n1)C[C@H](N[C@@H]1CCNC1=O)CC2 ZINC000330344739 172014980 /nfs/dbraw/zinc/01/49/80/172014980.db2.gz DHXNOUJLUCHELR-RKDXNWHRSA-N 0 3 249.318 0.474 20 0 BCADHN CCc1nn(C)cc1CN[C@@H](C)CC(=O)NC ZINC000323065868 172041149 /nfs/dbraw/zinc/04/11/49/172041149.db2.gz VDGWOCXETUYXJP-VIFPVBQESA-N 0 3 238.335 0.597 20 0 BCADHN CCc1nnc2ccc(NCCN(C)C)nn21 ZINC000271364125 172067971 /nfs/dbraw/zinc/06/79/71/172067971.db2.gz JGMUWAHCZRJEQP-UHFFFAOYSA-N 0 3 234.307 0.660 20 0 BCADHN CCc1nocc1CNCC[C@@H](O)COC ZINC000339333035 172099717 /nfs/dbraw/zinc/09/97/17/172099717.db2.gz JQCFZYZLTSATPC-SNVBAGLBSA-N 0 3 228.292 0.724 20 0 BCADHN CCN1C(=O)N=NC1C1CCN(CCO)CC1 ZINC000360900094 172146497 /nfs/dbraw/zinc/14/64/97/172146497.db2.gz DXPRNJUHXUZFJM-UHFFFAOYSA-N 0 3 240.307 0.175 20 0 BCADHN CCn1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)cn1 ZINC000262751177 172152953 /nfs/dbraw/zinc/15/29/53/172152953.db2.gz GQTOTSRVEZRGJD-ZJUUUORDSA-N 0 3 236.319 0.725 20 0 BCADHN CCn1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)cn1 ZINC000262751175 172152964 /nfs/dbraw/zinc/15/29/64/172152964.db2.gz GQTOTSRVEZRGJD-VHSXEESVSA-N 0 3 236.319 0.725 20 0 BCADHN CCn1cc(C(=O)N2CCN[C@H](C)[C@H]2C)cn1 ZINC000262751173 172152996 /nfs/dbraw/zinc/15/29/96/172152996.db2.gz GQTOTSRVEZRGJD-NXEZZACHSA-N 0 3 236.319 0.725 20 0 BCADHN CCn1cc(C(=O)NC[C@H](C)N(C)C)cn1 ZINC000265146992 172155871 /nfs/dbraw/zinc/15/58/71/172155871.db2.gz XMMQNDJVCDJGPZ-VIFPVBQESA-N 0 3 224.308 0.583 20 0 BCADHN CCn1cc(CCN(C)[C@@H]2COC[C@@H]2O)cn1 ZINC000352795502 172159052 /nfs/dbraw/zinc/15/90/52/172159052.db2.gz DIGHALAGGWVLGG-NEPJUHHUSA-N 0 3 239.319 0.137 20 0 BCADHN CCn1cc(CN2CCC[C@H](C(N)=O)C2)cn1 ZINC000155036056 172166091 /nfs/dbraw/zinc/16/60/91/172166091.db2.gz ZZMJQGLNQXTJEG-NSHDSACASA-N 0 3 236.319 0.600 20 0 BCADHN CCn1cc(CN2C[C@H](CO)[C@H](C)C2)cn1 ZINC000361656509 172167160 /nfs/dbraw/zinc/16/71/60/172167160.db2.gz SSNZZTYDPGUTJV-ZYHUDNBSSA-N 0 3 223.320 0.963 20 0 BCADHN CCn1cc(CN2C[C@H](C)[C@H](CO)C2)cn1 ZINC000361656508 172167596 /nfs/dbraw/zinc/16/75/96/172167596.db2.gz SSNZZTYDPGUTJV-JQWIXIFHSA-N 0 3 223.320 0.963 20 0 BCADHN CCn1cc(CNCCN(C)CCOC)cn1 ZINC000061378363 172169609 /nfs/dbraw/zinc/16/96/09/172169609.db2.gz OEORVYMZWQMDNT-UHFFFAOYSA-N 0 3 240.351 0.571 20 0 BCADHN CCn1cc(CNCC[C@@H](O)COC)cn1 ZINC000127468651 172171162 /nfs/dbraw/zinc/17/11/62/172171162.db2.gz MUIUTKOLWHEGFK-LLVKDONJSA-N 0 3 227.308 0.390 20 0 BCADHN CCn1cc(CN[C@@H](C)C[S@](C)=O)cn1 ZINC000164315758 172172779 /nfs/dbraw/zinc/17/27/79/172172779.db2.gz AGYBHUHAFNJKKM-BJOHPYRUSA-N 0 3 229.349 0.760 20 0 BCADHN CCn1cc(CNC[C@]2(O)CCO[C@@H]2C)cn1 ZINC000227970741 172173017 /nfs/dbraw/zinc/17/30/17/172173017.db2.gz XCLVANYUMNOQJS-ZYHUDNBSSA-N 0 3 239.319 0.533 20 0 BCADHN CCn1cc(CN[C@@]2(CCO)CCOC2)cn1 ZINC000278530425 172174222 /nfs/dbraw/zinc/17/42/22/172174222.db2.gz UXKYPHZSKDXFHC-LBPRGKRZSA-N 0 3 239.319 0.534 20 0 BCADHN CCn1cc(CN[C@H](C)CC(=O)N(C)C)cn1 ZINC000271546068 172174504 /nfs/dbraw/zinc/17/45/04/172174504.db2.gz UYKLDVSFSQCGIB-SNVBAGLBSA-N 0 3 238.335 0.859 20 0 BCADHN CCn1cc(NC(=O)CNCC2CC2)ccc1=O ZINC000037766006 172180024 /nfs/dbraw/zinc/18/00/24/172180024.db2.gz RGEDNOLPVAPECM-UHFFFAOYSA-N 0 3 249.314 0.806 20 0 BCADHN CCn1cc(NC(=O)[C@@H]2CCCCN2)cn1 ZINC000035781309 172182701 /nfs/dbraw/zinc/18/27/01/172182701.db2.gz PDXRBBDSOXBADU-JTQLQIEISA-N 0 3 222.292 0.984 20 0 BCADHN CCn1cc([C@@H](C)NCCc2ncn(C)n2)cn1 ZINC000127912922 172192191 /nfs/dbraw/zinc/19/21/91/172192191.db2.gz FYYHXTXQDIFYOF-SNVBAGLBSA-N 0 3 248.334 0.925 20 0 BCADHN CCn1cc([C@@H](C)NCCCOCCO)cn1 ZINC000180237061 172192972 /nfs/dbraw/zinc/19/29/72/172192972.db2.gz VNTLVHVOZLWPIM-LLVKDONJSA-N 0 3 241.335 0.953 20 0 BCADHN CCn1cc([C@H](C)N[C@@H](CO)CCOC)cn1 ZINC000281648387 172197496 /nfs/dbraw/zinc/19/74/96/172197496.db2.gz PMJGYNLCXAPCBS-CMPLNLGQSA-N 0 3 241.335 0.951 20 0 BCADHN CCn1ccnc1CN[C@H]1CN(C)C[C@@H]1C ZINC000309614723 172224201 /nfs/dbraw/zinc/22/42/01/172224201.db2.gz CMPAIJKPOQITJK-QWRGUYRKSA-N 0 3 222.336 0.943 20 0 BCADHN CCn1ncc(C(=O)NC[C@H]2CCCN2C)n1 ZINC000294678486 172252845 /nfs/dbraw/zinc/25/28/45/172252845.db2.gz IANGTSJBKLYZNV-SECBINFHSA-N 0 3 237.307 0.122 20 0 BCADHN CCn1nccc1CCN(C)CCC(=O)NC ZINC000276344142 172259012 /nfs/dbraw/zinc/25/90/12/172259012.db2.gz UTQNDEUIEYYWBO-UHFFFAOYSA-N 0 3 238.335 0.513 20 0 BCADHN CCn1nccc1CCN1C[C@H](O)C[C@@H]1C ZINC000338539598 172262561 /nfs/dbraw/zinc/26/25/61/172262561.db2.gz GWVKZYXMHJBIPL-CMPLNLGQSA-N 0 3 223.320 0.901 20 0 BCADHN CCn1nccc1CN1C[C@H](C)[C@@H](CO)C1 ZINC000361663840 172268603 /nfs/dbraw/zinc/26/86/03/172268603.db2.gz XIEWIGAITROBSQ-WDEREUQCSA-N 0 3 223.320 0.963 20 0 BCADHN CCn1nccc1CNC[C@@H]1CC[C@H](CO)O1 ZINC000353701483 172270469 /nfs/dbraw/zinc/27/04/69/172270469.db2.gz GCLAOQCBRDQBHP-NWDGAFQWSA-N 0 3 239.319 0.533 20 0 BCADHN CCn1nccc1CNC[C@H](O)C1CC1 ZINC000162699873 172270571 /nfs/dbraw/zinc/27/05/71/172270571.db2.gz GAVZFRVIUIZZGL-NSHDSACASA-N 0 3 209.293 0.764 20 0 BCADHN CCn1nccc1CNC[C@H](C)N(C)C ZINC000162693691 172271634 /nfs/dbraw/zinc/27/16/34/172271634.db2.gz LZDVMHDTZWVGBN-JTQLQIEISA-N 0 3 210.325 0.943 20 0 BCADHN CCn1nccc1CN[C@H]1CCN(C)C1 ZINC000096033653 172271876 /nfs/dbraw/zinc/27/18/76/172271876.db2.gz CPTOWKZYNWRQFY-JTQLQIEISA-N 0 3 208.309 0.697 20 0 BCADHN CCn1nccc1CN[C@@](C)(CCO)COC ZINC000269856862 172271885 /nfs/dbraw/zinc/27/18/85/172271885.db2.gz HNMWKRVMXKNFML-LBPRGKRZSA-N 0 3 241.335 0.780 20 0 BCADHN CCn1nccc1CN[C@H]1CCC(=O)N(C)C1 ZINC000119294274 172273120 /nfs/dbraw/zinc/27/31/20/172273120.db2.gz DPNRQIKQOOQMGL-JTQLQIEISA-N 0 3 236.319 0.613 20 0 BCADHN CCn1ncnc1CN[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000355584092 172281424 /nfs/dbraw/zinc/28/14/24/172281424.db2.gz OUOZSBMQKMXYMO-CMPLNLGQSA-N 0 3 249.362 0.870 20 0 BCADHN CN(C(=O)[C@@H](N)C(C)(C)C)[C@H]1CCOC1 ZINC000134691579 172324802 /nfs/dbraw/zinc/32/48/02/172324802.db2.gz FBESROASCPDAGB-DTWKUNHWSA-N 0 3 214.309 0.607 20 0 BCADHN CN(C(=O)CN)[C@@H]1CCc2ccccc2C1 ZINC000237282949 172307655 /nfs/dbraw/zinc/30/76/55/172307655.db2.gz HWLKYKPNHCTSOQ-GFCCVEGCSA-N 0 3 218.300 0.961 20 0 BCADHN CN(C(=O)[C@@]1(C)CCCCN1)c1cnn(C)c1 ZINC000181010209 172331303 /nfs/dbraw/zinc/33/13/03/172331303.db2.gz YBKQCUKQPDXUHB-GFCCVEGCSA-N 0 3 236.319 0.915 20 0 BCADHN CN(C(=O)[C@@]1(C)CCCCN1)[C@H]1CCOC1 ZINC000127549725 172331691 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/nfs/dbraw/zinc/33/12/29/173331229.db2.gz CCJOPXJSHSEPMX-SNVBAGLBSA-N 0 3 221.304 0.823 20 0 BCADHN CNCC(=O)N[C@@H](C)c1ncc(C)s1 ZINC000083889368 173331465 /nfs/dbraw/zinc/33/14/65/173331465.db2.gz VUJRXFCOCUFCQJ-ZETCQYMHSA-N 0 3 213.306 0.848 20 0 BCADHN CNCC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000163111499 173331663 /nfs/dbraw/zinc/33/16/63/173331663.db2.gz KLBJGWFHFBFFCC-OPRDCNLKSA-N 0 3 212.293 0.280 20 0 BCADHN CNCC(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000226364159 173331830 /nfs/dbraw/zinc/33/18/30/173331830.db2.gz BMPPLCMFYMZPKL-RKDXNWHRSA-N 0 3 216.350 0.996 20 0 BCADHN CNCC(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000237263067 173332129 /nfs/dbraw/zinc/33/21/29/173332129.db2.gz UYZQWYFEGICWJQ-LDYMZIIASA-N 0 3 214.309 0.526 20 0 BCADHN CNCC(=O)N[C@H](COC)c1ccccc1 ZINC000178500396 173332670 /nfs/dbraw/zinc/33/26/70/173332670.db2.gz VBHKSSZSYUOQOG-LLVKDONJSA-N 0 3 222.288 0.710 20 0 BCADHN CNCC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000037019857 173333673 /nfs/dbraw/zinc/33/36/73/173333673.db2.gz 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COCCOCCN(C)C(=O)CN(C)C(C)C ZINC000356578506 174350845 /nfs/dbraw/zinc/35/08/45/174350845.db2.gz MGOLTJNKXAADKM-UHFFFAOYSA-N 0 3 246.351 0.448 20 0 BCADHN COCCOCCCNCc1cnc(C)nc1 ZINC000339288868 174350954 /nfs/dbraw/zinc/35/09/54/174350954.db2.gz GVSKOIFKYMQVPS-UHFFFAOYSA-N 0 3 239.319 0.928 20 0 BCADHN COCCOCCN(C)CCc1ccnn1C ZINC000288748228 174351467 /nfs/dbraw/zinc/35/14/67/174351467.db2.gz GFJVVZQQHUQQFH-UHFFFAOYSA-N 0 3 241.335 0.557 20 0 BCADHN COCCOCCN1CCC[C@@H](OCCO)C1 ZINC000352449796 174352959 /nfs/dbraw/zinc/35/29/59/174352959.db2.gz ORZDKMOPRBHUKH-GFCCVEGCSA-N 0 3 247.335 0.123 20 0 BCADHN COCCOCCN1CCC[C@H]2OCC[C@H]21 ZINC000369540664 174353883 /nfs/dbraw/zinc/35/38/83/174353883.db2.gz KDEBAVKKJBIKGU-VXGBXAGGSA-N 0 3 229.320 0.903 20 0 BCADHN COCCOCCN1C[C@H](O)C2(CC2)C1 ZINC000368791581 174355570 /nfs/dbraw/zinc/35/55/70/174355570.db2.gz LSXPPWHZPIIHSJ-JTQLQIEISA-N 0 3 215.293 0.106 20 0 BCADHN COCCOCCN[C@@H](C)c1cn[nH]c1 ZINC000274093338 174358752 /nfs/dbraw/zinc/35/87/52/174358752.db2.gz RXPCSNMKDWQMKP-VIFPVBQESA-N 0 3 213.281 0.723 20 0 BCADHN COCCOCCNCc1cncs1 ZINC000054788403 174358878 /nfs/dbraw/zinc/35/88/78/174358878.db2.gz IWRWGIBXYZRCAG-UHFFFAOYSA-N 0 3 216.306 0.896 20 0 BCADHN COCCOC[C@@H](C)NCc1c(C)cnn1C ZINC000352758188 174361220 /nfs/dbraw/zinc/36/12/20/174361220.db2.gz GWZMBUOLVVKGFY-LLVKDONJSA-N 0 3 241.335 0.870 20 0 BCADHN COCCOC[C@@H]1CCN(Cc2cnc[nH]2)C1 ZINC000093754773 174362066 /nfs/dbraw/zinc/36/20/66/174362066.db2.gz ADZRXANLOSNSGC-LLVKDONJSA-N 0 3 239.319 0.895 20 0 BCADHN COCCOC[C@@H](O)CN1CCS[C@H](C)C1 ZINC000300223244 174362283 /nfs/dbraw/zinc/36/22/83/174362283.db2.gz AQXTYVSPZPBRJW-MNOVXSKESA-N 0 3 249.376 0.448 20 0 BCADHN COCCOC[C@H](C)NC(=O)[C@H](N)CC(C)C ZINC000353724800 174362761 /nfs/dbraw/zinc/36/27/61/174362761.db2.gz NGJXJMTVJJIOFS-WDEREUQCSA-N 0 3 246.351 0.528 20 0 BCADHN COCCO[C@H]1CCN(CCn2ccnc2)C1 ZINC000189709708 174366639 /nfs/dbraw/zinc/36/66/39/174366639.db2.gz HLAFLYDVSKRPEQ-LBPRGKRZSA-N 0 3 239.319 0.620 20 0 BCADHN COCC[C@@H](C)NCC(=O)NCc1ccco1 ZINC000124110209 174382146 /nfs/dbraw/zinc/38/21/46/174382146.db2.gz PNLIGBNKQSLHKX-SNVBAGLBSA-N 0 3 240.303 0.910 20 0 BCADHN COCC[C@@H](CO)N[C@H](C)c1ccnn1C ZINC000281149016 174389792 /nfs/dbraw/zinc/38/97/92/174389792.db2.gz AURMURNNGSEWKU-ZJUUUORDSA-N 0 3 227.308 0.468 20 0 BCADHN COCC[C@@H](CO)N[C@@H](C)c1cn[nH]c1 ZINC000285251584 174390118 /nfs/dbraw/zinc/39/01/18/174390118.db2.gz QAQIZFGNKFHWQQ-WPRPVWTQSA-N 0 3 213.281 0.458 20 0 BCADHN COCC[C@@H](COC)NCc1cn(C)nc1C ZINC000310130936 174392017 /nfs/dbraw/zinc/39/20/17/174392017.db2.gz AMYDDPUGTPXYKH-LBPRGKRZSA-N 0 3 241.335 0.870 20 0 BCADHN COCC[C@@H](COC)NCc1cncn1C ZINC000336649154 174392028 /nfs/dbraw/zinc/39/20/28/174392028.db2.gz DAMNQTAJSFTYDJ-JTQLQIEISA-N 0 3 227.308 0.561 20 0 BCADHN COCC[C@@H]1COCCN1C[C@@H](O)C(C)C ZINC000366613525 174398860 /nfs/dbraw/zinc/39/88/60/174398860.db2.gz AMMCVCSDJUYZFD-VXGBXAGGSA-N 0 3 231.336 0.741 20 0 BCADHN COC[C@@H](C)Sc1nnnn1CCN(C)C ZINC000361451179 174464020 /nfs/dbraw/zinc/46/40/20/174464020.db2.gz YZKQRJZFTSMJCV-MRVPVSSYSA-N 0 3 245.352 0.362 20 0 BCADHN COC[C@H](C)N[C@@H](C)C(=O)NC(C)C ZINC000034937197 174550376 /nfs/dbraw/zinc/55/03/76/174550376.db2.gz LEYQTSFMYAMGSC-IUCAKERBSA-N 0 3 202.298 0.524 20 0 BCADHN CO[C@@H](C)[C@@H](C)NCC(=O)NC(C)C ZINC000132232813 174712091 /nfs/dbraw/zinc/71/20/91/174712091.db2.gz VISHCBSLYGITSP-BDAKNGLRSA-N 0 3 202.298 0.524 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1sccc1C ZINC000227391745 174726148 /nfs/dbraw/zinc/72/61/48/174726148.db2.gz IYXGAURRGRANFW-QMMMGPOBSA-N 0 3 228.317 0.646 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)Cn2cccn2)C1 ZINC000674826736 487629243 /nfs/dbraw/zinc/62/92/43/487629243.db2.gz KRDXJVBTPBDHRK-GHMZBOCLSA-N 0 3 236.319 0.340 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1ccc(C)s1 ZINC000353189439 174857581 /nfs/dbraw/zinc/85/75/81/174857581.db2.gz NCQAOGWWYGMXGS-SNVBAGLBSA-N 0 3 242.344 0.989 20 0 BCADHN COc1cc(OC)nc(NC[C@H](C)N(C)C)n1 ZINC000134999268 175012066 /nfs/dbraw/zinc/01/20/66/175012066.db2.gz RHOCYXNPRLADCU-QMMMGPOBSA-N 0 3 240.307 0.856 20 0 BCADHN COc1ccc(C(=O)NC2CCN(C)CC2)cn1 ZINC000048608995 175058347 /nfs/dbraw/zinc/05/83/47/175058347.db2.gz HQIZNOKARTUDHH-UHFFFAOYSA-N 0 3 249.314 0.914 20 0 BCADHN COc1ccc(C(=O)NCCN(C)C)cn1 ZINC000053366190 175060475 /nfs/dbraw/zinc/06/04/75/175060475.db2.gz IDCJBZMRPWBIKS-UHFFFAOYSA-N 0 3 223.276 0.382 20 0 BCADHN COc1ccc(C(=O)N[C@@H](C)CN(C)C)nn1 ZINC000286869186 175062187 /nfs/dbraw/zinc/06/21/87/175062187.db2.gz CYVDQNZGCKHMFV-QMMMGPOBSA-N 0 3 238.291 0.165 20 0 BCADHN COc1ccc(C)cc1NC(=O)[C@@H](CN)OC ZINC000227343640 175077922 /nfs/dbraw/zinc/07/79/22/175077922.db2.gz XABJZBQIKGTWQE-LLVKDONJSA-N 0 3 238.287 0.916 20 0 BCADHN COc1ccc(CNC(=O)[C@@H](C)N)c(OC)c1 ZINC000057529353 175104795 /nfs/dbraw/zinc/10/47/95/175104795.db2.gz JDCPJXKJMUBALG-MRVPVSSYSA-N 0 3 238.287 0.667 20 0 BCADHN COc1ccc(CNC(=O)[C@@H](CN)OC)cc1 ZINC000227343068 175105016 /nfs/dbraw/zinc/10/50/16/175105016.db2.gz AZWAYHUOKJGBTC-LLVKDONJSA-N 0 3 238.287 0.285 20 0 BCADHN COc1ccc(CNC[C@@H](O)CO)cc1OC ZINC000002639117 175107309 /nfs/dbraw/zinc/10/73/09/175107309.db2.gz NQDVRBKIDNVTFJ-SNVBAGLBSA-N 0 3 241.287 0.147 20 0 BCADHN COc1ccc(CN[C@@H]2COC[C@H]2O)cc1 ZINC000037876784 175109956 /nfs/dbraw/zinc/10/99/56/175109956.db2.gz JQEDYYCHIYJNCI-VXGBXAGGSA-N 0 3 223.272 0.545 20 0 BCADHN COc1ccc(F)cc1CNC(=O)[C@@H](C)N ZINC000057517322 175129956 /nfs/dbraw/zinc/12/99/56/175129956.db2.gz OAQRFDAMKRSMIG-SSDOTTSWSA-N 0 3 226.251 0.798 20 0 BCADHN COc1ccc2c(c1)C[C@@H](NCCO)CO2 ZINC000295992105 175210735 /nfs/dbraw/zinc/21/07/35/175210735.db2.gz NTXQCHCESPJDQW-SNVBAGLBSA-N 0 3 223.272 0.581 20 0 BCADHN COc1cccc(CNC(=O)[C@@H](C)N)c1 ZINC000037491242 175262594 /nfs/dbraw/zinc/26/25/94/175262594.db2.gz AZFKKLSQHPWUOH-MRVPVSSYSA-N 0 3 208.261 0.659 20 0 BCADHN COc1cccc(CN[C@@H]2COC[C@@H]2O)c1 ZINC000037894672 175267088 /nfs/dbraw/zinc/26/70/88/175267088.db2.gz KEZZPSOUATYAIR-NEPJUHHUSA-N 0 3 223.272 0.545 20 0 BCADHN COc1cccc(NC(=O)COC2CNC2)c1 ZINC000062809852 175276582 /nfs/dbraw/zinc/27/65/82/175276582.db2.gz VDDWYIXJAQYVBL-UHFFFAOYSA-N 0 3 236.271 0.622 20 0 BCADHN COc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2)c1 ZINC000020434410 175277497 /nfs/dbraw/zinc/27/74/97/175277497.db2.gz YDHSNGZHTUPXRM-MWLCHTKSSA-N 0 3 236.271 0.357 20 0 BCADHN COc1ccccc1O[C@@H](C)CNC(=O)CN ZINC000083365718 175342438 /nfs/dbraw/zinc/34/24/38/175342438.db2.gz ZXEAUMVEKQSACH-VIFPVBQESA-N 0 3 238.287 0.537 20 0 BCADHN COc1ccnc(NCCN(C)C2CC2)n1 ZINC000063248204 175364922 /nfs/dbraw/zinc/36/49/22/175364922.db2.gz ZMECKSHRNKWFLF-UHFFFAOYSA-N 0 3 222.292 0.991 20 0 BCADHN COc1ccnc(NC[C@H](C)N(C)C)n1 ZINC000162320819 175366073 /nfs/dbraw/zinc/36/60/73/175366073.db2.gz PUOUYPKGTTYQOK-QMMMGPOBSA-N 0 3 210.281 0.847 20 0 BCADHN COc1ccncc1NC(=O)[C@@H](CN)OC ZINC000353423825 175375253 /nfs/dbraw/zinc/37/52/53/175375253.db2.gz DQPDPSVNETYSRE-SECBINFHSA-N 0 3 225.248 0.002 20 0 BCADHN CSCC[C@H](N)C(=O)Nc1cc[nH]n1 ZINC000042414803 175507982 /nfs/dbraw/zinc/50/79/82/175507982.db2.gz MVJKWTIUKNJODD-LURJTMIESA-N 0 3 214.294 0.429 20 0 BCADHN CO[C@](C)(CO)CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000668293902 487631090 /nfs/dbraw/zinc/63/10/90/487631090.db2.gz MAPYJRMDYYJLCR-TUAOUCFPSA-N 0 3 229.320 0.541 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCC(CO)CC1 ZINC000358533243 175697389 /nfs/dbraw/zinc/69/73/89/175697389.db2.gz UTGPHDFRZQVVLW-JTQLQIEISA-N 0 3 243.351 0.350 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000368503500 175795169 /nfs/dbraw/zinc/79/51/69/175795169.db2.gz LNXAKZCTEWXHLM-WOPDTQHZSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccc(F)c(F)c1 ZINC000042477072 175797705 /nfs/dbraw/zinc/79/77/05/175797705.db2.gz OQKUCQVFSNLCSJ-ZCFIWIBFSA-N 0 3 214.215 0.928 20 0 BCADHN C[C@@H](O)c1ncc(C(=O)NCCN(C)C)s1 ZINC000283030696 176000860 /nfs/dbraw/zinc/00/08/60/176000860.db2.gz RCHFBACYLRYJOD-SSDOTTSWSA-N 0 3 243.332 0.488 20 0 BCADHN C[C@@H](c1ccccn1)N(C)CCC(N)=O ZINC000286613437 176026210 /nfs/dbraw/zinc/02/62/10/176026210.db2.gz XHJVRFORFNQAQA-VIFPVBQESA-N 0 3 207.277 0.950 20 0 BCADHN C[C@@H](c1ccccn1)N1CCC[C@](O)(C(N)=O)C1 ZINC000286101240 176028317 /nfs/dbraw/zinc/02/83/17/176028317.db2.gz IKQJSRDHKZHHDB-GXFFZTMASA-N 0 3 249.314 0.455 20 0 BCADHN C[C@@H](c1cccnc1)N1CCN(C(=O)CN)CC1 ZINC000082254673 176030139 /nfs/dbraw/zinc/03/01/39/176030139.db2.gz VGLVRMPFXWQYSI-NSHDSACASA-N 0 3 248.330 0.246 20 0 BCADHN C[C@@H]1CC(=O)NCCN1CCN1CCCCC1 ZINC000363459766 176048961 /nfs/dbraw/zinc/04/89/61/176048961.db2.gz RJTJSOGCUDKVNU-GFCCVEGCSA-N 0 3 239.363 0.683 20 0 BCADHN C[C@@H]1CCCCN1CC(=O)N1CCNC1=O ZINC000007486540 176068821 /nfs/dbraw/zinc/06/88/21/176068821.db2.gz MZVSDXKWJQIOEJ-SECBINFHSA-N 0 3 225.292 0.413 20 0 BCADHN Cc1nccnc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000668296942 487632634 /nfs/dbraw/zinc/63/26/34/487632634.db2.gz BVMNYJHGBXJNCJ-SNVBAGLBSA-N 0 3 248.330 0.999 20 0 BCADHN C[C@@H]1CCCN(CC(=O)N2CCNC2=O)C1 ZINC000007787539 176096391 /nfs/dbraw/zinc/09/63/91/176096391.db2.gz HYWAIGXNTGXOQK-SECBINFHSA-N 0 3 225.292 0.270 20 0 BCADHN C[C@@H]1CCCN(CCN2CCCC2=O)[C@@H]1CO ZINC000305663089 176098895 /nfs/dbraw/zinc/09/88/95/176098895.db2.gz GYOAFDNHLNGVAO-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H]1CCCN1S(=O)(=O)[C@@H]1CCCNC1 ZINC000037912243 176110895 /nfs/dbraw/zinc/11/08/95/176110895.db2.gz WPAOAYCKZUTMNZ-NXEZZACHSA-N 0 3 232.349 0.553 20 0 BCADHN C[C@@H]1CCC[C@H](CO)N1CC(=O)N(C)C1CC1 ZINC000305197003 176139885 /nfs/dbraw/zinc/13/98/85/176139885.db2.gz DTXNUYDDEHUCQT-ZYHUDNBSSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H]1CCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000334953846 176158105 /nfs/dbraw/zinc/15/81/05/176158105.db2.gz VJTWAAJISROTOY-ZJUUUORDSA-N 0 3 227.308 0.026 20 0 BCADHN C[C@@H]1CCN(C(=O)N[C@H]2CCN(C)C2)C1 ZINC000336594318 176158847 /nfs/dbraw/zinc/15/88/47/176158847.db2.gz CDYQXKVZGIOVAH-ZJUUUORDSA-N 0 3 211.309 0.742 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)Cn1cccn1 ZINC000336520193 176166343 /nfs/dbraw/zinc/16/63/43/176166343.db2.gz JIJQNBKRBSBBSY-LLVKDONJSA-N 0 3 236.319 0.436 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCNC2=O)C[C@@H]1C ZINC000122449032 176166890 /nfs/dbraw/zinc/16/68/90/176166890.db2.gz LYDIDFRRFNZBLO-ZJUUUORDSA-N 0 3 239.319 0.516 20 0 BCADHN C[C@@H]1CCN(C[C@H](O)COC(C)(C)C)C[C@H]1O ZINC000357575955 176172860 /nfs/dbraw/zinc/17/28/60/176172860.db2.gz XQMIFHYHDKSGIH-GRYCIOLGSA-N 0 3 245.363 0.865 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCCN1CCNC1=O ZINC000329658827 176183027 /nfs/dbraw/zinc/18/30/27/176183027.db2.gz NUSSBYSHCOEKMA-RKDXNWHRSA-N 0 3 240.307 0.171 20 0 BCADHN C[C@@H]1CC[C@H](CN(C)[C@H]2COC[C@@H]2O)O1 ZINC000352797126 176223709 /nfs/dbraw/zinc/22/37/09/176223709.db2.gz HSXVMRIUWDLPRA-ZNSHCXBVSA-N 0 3 215.293 0.245 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NCCOCC2CC2)C1 ZINC000235308455 176186653 /nfs/dbraw/zinc/18/66/53/176186653.db2.gz WFDPBPAMWQMDBU-ZYHUDNBSSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@@H]1CCOCCN1CCOCCO ZINC000367631997 176188803 /nfs/dbraw/zinc/18/88/03/176188803.db2.gz JUHJRMCREWEPMN-SNVBAGLBSA-N 0 3 203.282 0.106 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCCCO ZINC000331157483 176198949 /nfs/dbraw/zinc/19/89/49/176198949.db2.gz CBNKAOUTBRFKOP-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H](CO)C1 ZINC000340313715 176199034 /nfs/dbraw/zinc/19/90/34/176199034.db2.gz MVQDYCUIYMFBCP-UTUOFQBUSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1nnc[n-]1 ZINC000330953458 176199170 /nfs/dbraw/zinc/19/91/70/176199170.db2.gz JCMZGRRODSURJY-RKDXNWHRSA-N 0 3 237.307 0.294 20 0 BCADHN C[C@@H]1CC[C@@H](N(CCO)CC(=O)NC2CC2)C1 ZINC000331683360 176207302 /nfs/dbraw/zinc/20/73/02/176207302.db2.gz QODGHNLIFSUETD-ZYHUDNBSSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1CC[C@@H](N(C)CCS(=O)(=O)N(C)C)C1 ZINC000352420319 176207368 /nfs/dbraw/zinc/20/73/68/176207368.db2.gz BNBGXSWXFZIFEY-GHMZBOCLSA-N 0 3 248.392 0.998 20 0 BCADHN C[C@@H]1CC[C@H](CN(C)CCNC(=O)N(C)C)O1 ZINC000355274087 176223918 /nfs/dbraw/zinc/22/39/18/176223918.db2.gz JHVYTULIEPNBCH-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H]1CC[C@H]1NC(=O)NC[C@@](C)(O)CN(C)C ZINC000358270347 176236073 /nfs/dbraw/zinc/23/60/73/176236073.db2.gz OUAQVGCCGUKKOR-CKYFFXLPSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C/c2cnccn2)[C@H](C)CN1 ZINC000272652155 176241394 /nfs/dbraw/zinc/24/13/94/176241394.db2.gz ZNXNGFAJWABTML-YIZUVKHSSA-N 0 3 246.314 0.699 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CCCC2)CCO1 ZINC000037479364 176242827 /nfs/dbraw/zinc/24/28/27/176242827.db2.gz VBEPHOGTDMFVKX-SECBINFHSA-N 0 3 212.293 0.505 20 0 BCADHN C[C@@H]1CN(C(=O)CCn2ccnc2)[C@H](C)CN1 ZINC000086468217 176245902 /nfs/dbraw/zinc/24/59/02/176245902.db2.gz VYKMGGYILAQSHI-GHMZBOCLSA-N 0 3 236.319 0.482 20 0 BCADHN C[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCO1 ZINC000237425268 176247556 /nfs/dbraw/zinc/24/75/56/176247556.db2.gz SXAVFFAXRUHMAV-MNOVXSKESA-N 0 3 242.319 0.002 20 0 BCADHN C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)[C@H](C)CN1 ZINC000356346659 176248102 /nfs/dbraw/zinc/24/81/02/176248102.db2.gz NFMXEWVBKBWBEM-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCO1 ZINC000019435322 176257826 /nfs/dbraw/zinc/25/78/26/176257826.db2.gz JFZDIRWSAPUMGX-DGCLKSJQSA-N 0 3 248.326 0.804 20 0 BCADHN C[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CC(C)(C)O1 ZINC000152973913 176259039 /nfs/dbraw/zinc/25/90/39/176259039.db2.gz DOVHATLETIJABY-SKDRFNHKSA-N 0 3 244.310 0.714 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccnnc2)[C@H](C)CN1 ZINC000159535070 176263704 /nfs/dbraw/zinc/26/37/04/176263704.db2.gz JRPOQLBUQONJQT-RKDXNWHRSA-N 0 3 220.276 0.299 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCc1nccn1C ZINC000335134978 176274358 /nfs/dbraw/zinc/27/43/58/176274358.db2.gz SRWYQGHPUQTNJQ-ZJUUUORDSA-N 0 3 208.309 0.460 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1NC[C@@](C)(O)C(F)(F)F ZINC000309788855 176277093 /nfs/dbraw/zinc/27/70/93/176277093.db2.gz OSMHFLAJIZHMKI-IWSPIJDZSA-N 0 3 240.269 0.839 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1NCc1nnc2n1CCCC2 ZINC000354982983 176277566 /nfs/dbraw/zinc/27/75/66/176277566.db2.gz NCGJYZPCBDKSNZ-GHMZBOCLSA-N 0 3 249.362 0.654 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1cccn1 ZINC000268209261 176280709 /nfs/dbraw/zinc/28/07/09/176280709.db2.gz KIDZDTFJRLSFNZ-PWSUYJOCSA-N 0 3 248.330 0.482 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnnn1C ZINC000282640204 176281241 /nfs/dbraw/zinc/28/12/41/176281241.db2.gz GWLYLUKSOCJZIB-SCZZXKLOSA-N 0 3 249.318 0.028 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnn(C)n1 ZINC000285261751 176281480 /nfs/dbraw/zinc/28/14/80/176281480.db2.gz MDIKXXVUURJUNM-LDYMZIIASA-N 0 3 249.318 0.028 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccon1 ZINC000268183329 176281612 /nfs/dbraw/zinc/28/16/12/176281612.db2.gz GNDGIRLEHNXOCP-LDYMZIIASA-N 0 3 235.287 0.887 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccnnc1 ZINC000270456718 176281621 /nfs/dbraw/zinc/28/16/21/176281621.db2.gz QBUKCJZXQRPVGX-SKDRFNHKSA-N 0 3 246.314 0.689 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ncn(C)n1 ZINC000290377058 176282491 /nfs/dbraw/zinc/28/24/91/176282491.db2.gz BJOWMQHECKMVKM-SCZZXKLOSA-N 0 3 249.318 0.028 20 0 BCADHN C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@@H]1CO ZINC000362069092 176283008 /nfs/dbraw/zinc/28/30/08/176283008.db2.gz DLOBPXFPAWVWPN-NXEZZACHSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@@H]1CN(CCCS(=O)(=O)N(C)C)[C@@H]1C ZINC000339566873 176289031 /nfs/dbraw/zinc/28/90/31/176289031.db2.gz SQBSKBONZQYSQK-NXEZZACHSA-N 0 3 234.365 0.608 20 0 BCADHN C[C@H]1OCC[C@@]12CN(CCCO)C[C@@H](C)O2 ZINC000369406353 176289679 /nfs/dbraw/zinc/28/96/79/176289679.db2.gz AIPCRVWOMAUPJK-IJLUTSLNSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@@H]1CN(CCCO)C[C@@]2(CCCOC2)O1 ZINC000373816953 176289973 /nfs/dbraw/zinc/28/99/73/176289973.db2.gz XUMUDIFAALUXOG-VXGBXAGGSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@@H]1CN(CCN(C)C2CC(O)C2)CCO1 ZINC000337326728 176290975 /nfs/dbraw/zinc/29/09/75/176290975.db2.gz WLMGKVSZXXOAGV-VOMCLLRMSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@@H]1CN(C[C@@H]2COCCO2)CCS1 ZINC000336486115 176297227 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/nfs/dbraw/zinc/30/31/64/176303164.db2.gz XCAUNYCEHNUOCB-SKDRFNHKSA-N 0 3 234.299 0.598 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@H](CO)[C@H](C)C1 ZINC000362057765 176316384 /nfs/dbraw/zinc/31/63/84/176316384.db2.gz SBQHLOPIAYBHOV-OPRDCNLKSA-N 0 3 214.309 0.023 20 0 BCADHN C[C@H](CN1CCOCC1)N1CCOC[C@@H](C)C1 ZINC000340966950 176332246 /nfs/dbraw/zinc/33/22/46/176332246.db2.gz PWEZTKRJLMXYLC-QWHCGFSZSA-N 0 3 242.363 0.675 20 0 BCADHN C[C@H]1COCCN1CCN1CCOC[C@@H](C)C1 ZINC000337193183 176333375 /nfs/dbraw/zinc/33/33/75/176333375.db2.gz VEISIFAXNXULLS-STQMWFEESA-N 0 3 242.363 0.675 20 0 BCADHN C[C@@H]1COCCN1CCN(C)[C@@H]1CCOC1 ZINC000337179140 176335615 /nfs/dbraw/zinc/33/56/15/176335615.db2.gz LFZDOVJACKRJCV-VXGBXAGGSA-N 0 3 228.336 0.428 20 0 BCADHN C[C@@H]1C[C@H](O)CN1CCN1CCOC[C@H]1C ZINC000337197896 176336488 /nfs/dbraw/zinc/33/64/88/176336488.db2.gz ZCLCYUNFXFRGCI-UTUOFQBUSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1CCOC[C@H]1C ZINC000346132707 176338702 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/nfs/dbraw/zinc/39/30/32/176393032.db2.gz DGGITNBLOPYJCH-NXEZZACHSA-N 0 3 213.325 0.845 20 0 BCADHN C[C@@H]1C[C@H]1C[NH+]1CCC2(CC1)NC(=O)[N-]C2=O ZINC000336566173 176436853 /nfs/dbraw/zinc/43/68/53/176436853.db2.gz YWIGGFKIPTVJTM-BDAKNGLRSA-N 0 3 237.303 0.316 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359383547 176443362 /nfs/dbraw/zinc/44/33/62/176443362.db2.gz DXODCOGFYNYADN-WCABBAIRSA-N 0 3 223.320 0.931 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2nccnc2N)C1 ZINC000674843871 487634133 /nfs/dbraw/zinc/63/41/33/487634133.db2.gz WEGRGPVQDRYMHF-RKDXNWHRSA-N 0 3 249.318 0.129 20 0 BCADHN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1cccs1 ZINC000308569077 176627882 /nfs/dbraw/zinc/62/78/82/176627882.db2.gz JFPVBVWVOCWWFQ-SSDOTTSWSA-N 0 3 234.346 0.764 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CCC[C@@H](O)C1 ZINC000346143984 176651302 /nfs/dbraw/zinc/65/13/02/176651302.db2.gz UADODYZVXPESSE-GMTAPVOTSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](CN1CCCC1=O)NCc1ccnn1C ZINC000037782786 176665581 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/nfs/dbraw/zinc/01/62/96/177016296.db2.gz IFOFSCMTJZCXMN-GWCFXTLKSA-N 0 3 248.326 0.988 20 0 BCADHN C[C@H]1CC(=O)NCCN1CCC(C)(C)O ZINC000369421144 177062775 /nfs/dbraw/zinc/06/27/75/177062775.db2.gz BUGFCVVYFWFPAX-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN C[C@H](c1cccnc1)N1CCN(C(=O)CN)CC1 ZINC000082254674 177046192 /nfs/dbraw/zinc/04/61/92/177046192.db2.gz VGLVRMPFXWQYSI-LLVKDONJSA-N 0 3 248.330 0.246 20 0 BCADHN C[C@H](c1cccnc1)N1C[C@@H](O)C[C@H]1CO ZINC000274496065 177046223 /nfs/dbraw/zinc/04/62/23/177046223.db2.gz QFMSJQMZUKXODM-USWWRNFRSA-N 0 3 222.288 0.570 20 0 BCADHN C[C@H]1CC(=O)NCCN1C[C@@H]1CCSC1 ZINC000367669423 177062810 /nfs/dbraw/zinc/06/28/10/177062810.db2.gz KSRHFZAIKZEPAF-UWVGGRQHSA-N 0 3 228.361 0.950 20 0 BCADHN C[C@H](CNC(=O)CN(C)C)N1CCCC[C@@H]1C ZINC000340073797 177079029 /nfs/dbraw/zinc/07/90/29/177079029.db2.gz OJEDVILVKPYPCB-NWDGAFQWSA-N 0 3 241.379 0.927 20 0 BCADHN C[C@H]1CCCC[C@H]1CNC(=O)C(=O)NCCN ZINC000042829084 177084889 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226270469 /nfs/dbraw/zinc/27/04/69/226270469.db2.gz CIMNPLYSGLPISB-UHFFFAOYSA-N 0 3 240.234 0.267 20 0 BCADHN O=C(NC1CC1)OC[C@@H]1CCCCN1CCO ZINC000496327355 226302093 /nfs/dbraw/zinc/30/20/93/226302093.db2.gz QDQOWQNUWLUMOO-NSHDSACASA-N 0 3 242.319 0.722 20 0 BCADHN CS[C@H]1CCN(C[C@H]2CN(C)C(=O)O2)C1 ZINC000496361236 226303051 /nfs/dbraw/zinc/30/30/51/226303051.db2.gz MQLMFPPBXPQLIB-BDAKNGLRSA-N 0 3 230.333 0.874 20 0 BCADHN C[C@H](O)C1CCN(C[C@H]2CN(C)C(=O)O2)CC1 ZINC000496369619 226303251 /nfs/dbraw/zinc/30/32/51/226303251.db2.gz XAGSSRHLTMDEEV-GXSJLCMTSA-N 0 3 242.319 0.530 20 0 BCADHN C[C@H](O)[C@H]1CCCN(C[C@H]2CN(C)C(=O)O2)C1 ZINC000496660296 226310845 /nfs/dbraw/zinc/31/08/45/226310845.db2.gz NFPLTWZLFRPILR-GARJFASQSA-N 0 3 242.319 0.530 20 0 BCADHN CN(C)C(=O)O[C@@H]1CCCN(CCCCO)C1 ZINC000496776047 226314043 /nfs/dbraw/zinc/31/40/43/226314043.db2.gz VTBZKGZJIFMRRW-LLVKDONJSA-N 0 3 244.335 0.922 20 0 BCADHN CO[C@H]1CCN(C[C@H]2CN(C)C(=O)O2)C1 ZINC000496895432 226316946 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WYPZIESQLQJEQK-JTQLQIEISA-N 0 3 209.293 0.586 20 0 BCADHN CCCC1(CNC(=O)CN2CCNCC2)CC1 ZINC000232898925 487667714 /nfs/dbraw/zinc/66/77/14/487667714.db2.gz NGZCCCYXXSQGIN-UHFFFAOYSA-N 0 3 239.363 0.588 20 0 BCADHN C[C@@H]1CN(CCN2CC=CCC2)CCO1 ZINC000669692112 487668694 /nfs/dbraw/zinc/66/86/94/487668694.db2.gz XWGNUHKQRYSLRZ-GFCCVEGCSA-N 0 3 210.321 0.969 20 0 BCADHN NC1(C(=O)NCC2CCOCC2)CCCC1 ZINC000082545513 487671132 /nfs/dbraw/zinc/67/11/32/487671132.db2.gz LSIHXDGLMRVGLK-UHFFFAOYSA-N 0 3 226.320 0.801 20 0 BCADHN Cc1ncncc1[C@@H](C)NC[C@H]1CCCNC1=O ZINC000655776988 487671243 /nfs/dbraw/zinc/67/12/43/487671243.db2.gz OTECBLLNPQIKDL-MWLCHTKSSA-N 0 3 248.330 0.962 20 0 BCADHN CCCCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000087613624 487671886 /nfs/dbraw/zinc/67/18/86/487671886.db2.gz FUUVNPOMCKVLSF-JTQLQIEISA-N 0 3 228.340 0.071 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC000442699402 229162915 /nfs/dbraw/zinc/16/29/15/229162915.db2.gz KTUXFSZKEXCWGO-UWVGGRQHSA-N 0 3 216.325 0.724 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000490883221 229187742 /nfs/dbraw/zinc/18/77/42/229187742.db2.gz HWRYEHHLSAHANQ-QMMMGPOBSA-N 0 3 249.314 0.735 20 0 BCADHN COC[C@@H](C)NC(=O)C(N)C(F)(F)F ZINC000309016534 229299379 /nfs/dbraw/zinc/29/93/79/229299379.db2.gz UPKSTGSSSHOHLE-UHNVWZDZSA-N 0 3 214.187 0.027 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@@H](CO)[C@@H]1C ZINC000512414059 229342499 /nfs/dbraw/zinc/34/24/99/229342499.db2.gz CKCKVGKMAWALNI-DCAQKATOSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000512417232 229343436 /nfs/dbraw/zinc/34/34/36/229343436.db2.gz YWRBGQPYSWNXRI-OUAUKWLOSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@@H]1CCCC[C@@H]1OCCN(CCO)CCO ZINC000304292048 229346443 /nfs/dbraw/zinc/34/64/43/229346443.db2.gz CWQWVOBHVJAPQY-OLZOCXBDSA-N 0 3 245.363 0.868 20 0 BCADHN C[C@@H]1CCC[C@H](CO)N1CC(=O)NC1CC1 ZINC000305232533 229371372 /nfs/dbraw/zinc/37/13/72/229371372.db2.gz MLTHTFIHGMAAEQ-MWLCHTKSSA-N 0 3 226.320 0.500 20 0 BCADHN COc1nccc(CN[C@@](C)(CO)C(C)C)n1 ZINC000398552918 262762912 /nfs/dbraw/zinc/76/29/12/262762912.db2.gz GETLDJSOONPODC-LBPRGKRZSA-N 0 3 239.319 0.982 20 0 BCADHN O=C(CNC1CC1)NC[C@H]1CCCS1 ZINC000087668701 487676694 /nfs/dbraw/zinc/67/66/94/487676694.db2.gz DRDSULFGEYEHME-SECBINFHSA-N 0 3 214.334 0.750 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)NCCO ZINC000675160735 487677004 /nfs/dbraw/zinc/67/70/04/487677004.db2.gz BZDWSWORGZMMRU-JTQLQIEISA-N 0 3 229.324 0.152 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H]1CCCS1 ZINC000087668451 487677273 /nfs/dbraw/zinc/67/72/73/487677273.db2.gz VCJVONPSWOVLIR-HTQZYQBOSA-N 0 3 202.323 0.736 20 0 BCADHN CCC1(CNC(=O)CN2CCNCC2)CC1 ZINC000232985514 487680343 /nfs/dbraw/zinc/68/03/43/487680343.db2.gz FZJMLRHHOPRBHF-UHFFFAOYSA-N 0 3 225.336 0.198 20 0 BCADHN O=C1C[C@@H](NC2CCOCC2)C(=O)N1C1CC1 ZINC000036851755 487681225 /nfs/dbraw/zinc/68/12/25/487681225.db2.gz KOPCHWDAFDKUBR-SNVBAGLBSA-N 0 3 238.287 0.045 20 0 BCADHN CCN(CC)C(=O)COC1(C)CNC1 ZINC000163072854 487683363 /nfs/dbraw/zinc/68/33/63/487683363.db2.gz SFFNVOKQZXRHFM-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN CCN(C(=O)COC1(C)CNC1)C1CC1 ZINC000163076155 487683558 /nfs/dbraw/zinc/68/35/58/487683558.db2.gz NQOWEDLPTTTZRR-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CCOC1 ZINC000087785182 487685844 /nfs/dbraw/zinc/68/58/44/487685844.db2.gz YUKKEGJBQSEIMN-HLTSFMKQSA-N 0 3 200.282 0.265 20 0 BCADHN CN(CCO)CCNC(=O)C1(CCF)CC1 ZINC000899739240 584233630 /nfs/dbraw/zinc/23/36/30/584233630.db2.gz VBUXVTMGIZHCFX-UHFFFAOYSA-N 0 3 232.299 0.167 20 0 BCADHN C[C@@H](O)CN1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000189360005 487686417 /nfs/dbraw/zinc/68/64/17/487686417.db2.gz ZCEZKVALVMSSPR-JHJVBQTASA-N 0 3 242.363 0.288 20 0 BCADHN C[C@H](c1ccccc1)[C@@H](CO)N[C@H]1CCNC1=O ZINC000680993529 487688464 /nfs/dbraw/zinc/68/84/64/487688464.db2.gz NOAFFGYCNRSKGD-KGYLQXTDSA-N 0 3 248.326 0.629 20 0 BCADHN CN1CCC[C@H](NC(=O)C2(N)CCC2)C1 ZINC000088050743 487696623 /nfs/dbraw/zinc/69/66/23/487696623.db2.gz RKBBSZOGTBCOFJ-VIFPVBQESA-N 0 3 211.309 0.078 20 0 BCADHN COCC[C@H](C)NC(=O)C1(N)CCC1 ZINC000088051312 487696723 /nfs/dbraw/zinc/69/67/23/487696723.db2.gz ZMZBPXNVCJALST-QMMMGPOBSA-N 0 3 200.282 0.409 20 0 BCADHN NC1(C(=O)NCCc2ccncc2)CCC1 ZINC000088050514 487696933 /nfs/dbraw/zinc/69/69/33/487696933.db2.gz GQFDBPXZIIOOQG-UHFFFAOYSA-N 0 3 219.288 0.622 20 0 BCADHN CNC(=O)CCCN(C)CC1(F)CC1 ZINC000527219656 262833954 /nfs/dbraw/zinc/83/39/54/262833954.db2.gz QGBHHFLAPBONFU-UHFFFAOYSA-N 0 3 202.273 0.947 20 0 BCADHN CSCCCN1CCOC[C@@H](O)C1 ZINC000399901964 262847881 /nfs/dbraw/zinc/84/78/81/262847881.db2.gz AXHCCTWALZLUIK-VIFPVBQESA-N 0 3 205.323 0.433 20 0 BCADHN CCn1nncc1CN[C@H](C)[C@H](C)OC ZINC000527918848 262894585 /nfs/dbraw/zinc/89/45/85/262894585.db2.gz FBJNYPAZLVBUTJ-BDAKNGLRSA-N 0 3 212.297 0.811 20 0 BCADHN CCN1CC[C@H](N[C@@H](C)[C@H](C)OC)C1=O ZINC000309044715 487699249 /nfs/dbraw/zinc/69/92/49/487699249.db2.gz NPAYZVRIOFLRIT-GUBZILKMSA-N 0 3 214.309 0.620 20 0 BCADHN CC(C)N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000043802298 487698661 /nfs/dbraw/zinc/69/86/61/487698661.db2.gz XPGGPQYTRYJJCW-LBPRGKRZSA-N 0 3 227.352 0.001 20 0 BCADHN CCN1CCN(Cc2ccn(C)c(=O)c2)[C@@H](C)C1 ZINC000671716873 487700704 /nfs/dbraw/zinc/70/07/04/487700704.db2.gz ZLXGXDUOLDJBGZ-LBPRGKRZSA-N 0 3 249.358 0.911 20 0 BCADHN CC1(C)CNCCN1C(=O)c1cscn1 ZINC000083842479 487700599 /nfs/dbraw/zinc/70/05/99/487700599.db2.gz COQLTCJGMPSVQH-UHFFFAOYSA-N 0 3 225.317 0.967 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)ncn1 ZINC000653142578 487701677 /nfs/dbraw/zinc/70/16/77/487701677.db2.gz PDHQBFDDLFOAFT-IUCAKERBSA-N 0 3 238.266 0.215 20 0 BCADHN CC1(C)CN(C(=O)CC2COC2)CCN1 ZINC000900938370 584366965 /nfs/dbraw/zinc/36/69/65/584366965.db2.gz VDGFGRQFQSMQPE-UHFFFAOYSA-N 0 3 212.293 0.233 20 0 BCADHN COCCN1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000120918528 490071380 /nfs/dbraw/zinc/07/13/80/490071380.db2.gz NABIGHKNIJVKMC-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)Nc2cncnc2)C1 ZINC000681045807 487706207 /nfs/dbraw/zinc/70/62/07/487706207.db2.gz YFRLUUMYVKJPJC-MWLCHTKSSA-N 0 3 249.318 0.938 20 0 BCADHN NC1(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000088130568 487706480 /nfs/dbraw/zinc/70/64/80/487706480.db2.gz MDPXKVFFHNNTMZ-SECBINFHSA-N 0 3 234.303 0.607 20 0 BCADHN Cc1noc(CCCC(=O)NCCN(C)C)n1 ZINC000046737644 487712131 /nfs/dbraw/zinc/71/21/31/487712131.db2.gz LLFNBVPPUXYWLJ-UHFFFAOYSA-N 0 3 240.307 0.379 20 0 BCADHN COC[C@@H](CC(C)(C)C)NC(=O)[C@@H](C)N ZINC000655497095 487714516 /nfs/dbraw/zinc/71/45/16/487714516.db2.gz OBJLAAMUZXRESH-RKDXNWHRSA-N 0 3 216.325 0.901 20 0 BCADHN CO[C@H](C)CN(C)CCn1ccccc1=O ZINC000671737340 487715854 /nfs/dbraw/zinc/71/58/54/487715854.db2.gz XOCMLUJCWXVUOL-LLVKDONJSA-N 0 3 224.304 0.815 20 0 BCADHN CO[C@H](C)CN(C)CC[C@H]1CCS(=O)(=O)C1 ZINC000671737454 487716089 /nfs/dbraw/zinc/71/60/89/487716089.db2.gz VHADRHJJQXSPLT-MNOVXSKESA-N 0 3 249.376 0.778 20 0 BCADHN Cc1c[nH]nc1C(=O)NCCN1CCCCC1 ZINC000669596076 487718699 /nfs/dbraw/zinc/71/86/99/487718699.db2.gz OHXVLOKYJKQDAS-UHFFFAOYSA-N 0 3 236.319 0.934 20 0 BCADHN CC1(OCC(=O)N2C[C@@H]3CCC[C@H]3C2)CNC1 ZINC000098061418 487719676 /nfs/dbraw/zinc/71/96/76/487719676.db2.gz FISJLNZMXDTFAA-QWRGUYRKSA-N 0 3 238.331 0.623 20 0 BCADHN CC[C@@H](C)C[C@H](C)NC(=O)CN1CCNCC1 ZINC000088300439 487719776 /nfs/dbraw/zinc/71/97/76/487719776.db2.gz DOHHHHANXOBMDC-NEPJUHHUSA-N 0 3 241.379 0.833 20 0 BCADHN CC1(OCC(=O)NCc2ccncc2)CNC1 ZINC000098061523 487720024 /nfs/dbraw/zinc/72/00/24/487720024.db2.gz FDKBLCLZLLHRTA-UHFFFAOYSA-N 0 3 235.287 0.076 20 0 BCADHN Cc1ccnc(NC(=O)COC2(C)CNC2)c1 ZINC000098061519 487720064 /nfs/dbraw/zinc/72/00/64/487720064.db2.gz XHIGTJUMLVAXQQ-UHFFFAOYSA-N 0 3 235.287 0.707 20 0 BCADHN CC(C)[C@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000098061511 487720464 /nfs/dbraw/zinc/72/04/64/487720464.db2.gz MICBURWACHMTMS-NSHDSACASA-N 0 3 240.347 0.869 20 0 BCADHN Cc1ccncc1NC(=O)COC1(C)CNC1 ZINC000098063294 487720771 /nfs/dbraw/zinc/72/07/71/487720771.db2.gz GSEPFBKHXUDKPE-UHFFFAOYSA-N 0 3 235.287 0.707 20 0 BCADHN C[C@@H](NCc1cc(C(N)=O)co1)[C@@H]1CCOC1 ZINC000354662381 487725918 /nfs/dbraw/zinc/72/59/18/487725918.db2.gz XJOURILNQISABY-RKDXNWHRSA-N 0 3 238.287 0.893 20 0 BCADHN NC(=O)c1cccc(CN[C@@H](CO)CCF)c1 ZINC000652017562 487726989 /nfs/dbraw/zinc/72/69/89/487726989.db2.gz YKGBLZOJPSRRCU-LLVKDONJSA-N 0 3 240.278 0.596 20 0 BCADHN CN(CCNC(=O)NC1(CCO)CC1)C1CC1 ZINC000458385125 487728811 /nfs/dbraw/zinc/72/88/11/487728811.db2.gz MKPSBEDSQRATDQ-UHFFFAOYSA-N 0 3 241.335 0.295 20 0 BCADHN CN(C[C@H]1CCCCO1)C[C@H]1CNCCO1 ZINC000250365425 487730834 /nfs/dbraw/zinc/73/08/34/487730834.db2.gz FSKFQXVLMVMAEA-VXGBXAGGSA-N 0 3 228.336 0.476 20 0 BCADHN C[C@@H](Cc1ccc(O)cc1)N[C@H]1CCNC1=O ZINC000668424969 487731113 /nfs/dbraw/zinc/73/11/13/487731113.db2.gz DDLBKBDAMJOOQF-CABZTGNLSA-N 0 3 234.299 0.801 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1CCN[C@@H](C)C1 ZINC000155000340 487732140 /nfs/dbraw/zinc/73/21/40/487732140.db2.gz RAPJGLQMLDMTEY-VHSXEESVSA-N 0 3 213.325 0.180 20 0 BCADHN O=C(N[C@@]12C[C@@H]1CCC2)[C@H]1CNCCOC1 ZINC000662847753 487733430 /nfs/dbraw/zinc/73/34/30/487733430.db2.gz LCIQTHCHRBJHKN-NHCYSSNCSA-N 0 3 224.304 0.281 20 0 BCADHN COC[C@H](CCNC(=O)[C@H]1CCCCN1)OC ZINC000662848024 487734110 /nfs/dbraw/zinc/73/41/10/487734110.db2.gz RNXNVDZYHLXLOF-WDEREUQCSA-N 0 3 244.335 0.296 20 0 BCADHN CN(C)CCN(C)c1ncnc2c1OCCN2 ZINC000665704464 487735892 /nfs/dbraw/zinc/73/58/92/487735892.db2.gz CEKAHJGHCBKBFX-UHFFFAOYSA-N 0 3 237.307 0.279 20 0 BCADHN CCN1CCC[C@@H]1CNCc1ncnn1CC ZINC000088588815 487737548 /nfs/dbraw/zinc/73/75/48/487737548.db2.gz LEHUHXYJXKSFBF-LLVKDONJSA-N 0 3 237.351 0.872 20 0 BCADHN CN(CCN(C)C1CC1)c1cncc2ncnn21 ZINC000681152364 487737615 /nfs/dbraw/zinc/73/76/15/487737615.db2.gz JTOKMBHCMMIKDR-UHFFFAOYSA-N 0 3 246.318 0.655 20 0 BCADHN Cc1c[nH]nc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000669600509 487740617 /nfs/dbraw/zinc/74/06/17/487740617.db2.gz RXPKEEMRXFFBPX-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN CCC(O)(CC)CN(C)CCn1cncn1 ZINC000681185069 487744219 /nfs/dbraw/zinc/74/42/19/487744219.db2.gz CAMMQGUCBNPAJZ-UHFFFAOYSA-N 0 3 226.324 0.761 20 0 BCADHN C[C@@H]1CN(Cc2ccn(C)c(=O)c2)[C@H](C)CN1C ZINC000678172086 487745593 /nfs/dbraw/zinc/74/55/93/487745593.db2.gz ADGMLCATSSUIPK-VXGBXAGGSA-N 0 3 249.358 0.910 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccn(C)c(=O)c1 ZINC000678172066 487745562 /nfs/dbraw/zinc/74/55/62/487745562.db2.gz ADGMLCATSSUIPK-NWDGAFQWSA-N 0 3 249.358 0.910 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1ccn(C)n1 ZINC000681202701 487746134 /nfs/dbraw/zinc/74/61/34/487746134.db2.gz UVNCCRBZUCUYIT-UHFFFAOYSA-N 0 3 236.319 0.586 20 0 BCADHN C[C@H]1CC[C@H](C)N(C(=O)CN2CCNCC2)C1 ZINC000088705636 487746233 /nfs/dbraw/zinc/74/62/33/487746233.db2.gz DOKZKFZMLMPXIC-RYUDHWBXSA-N 0 3 239.363 0.539 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000669601952 487747239 /nfs/dbraw/zinc/74/72/39/487747239.db2.gz HPWTWPVJVODBJR-JTQLQIEISA-N 0 3 236.319 0.932 20 0 BCADHN COCCN1CC[C@@H](NC(=O)CCCF)C1 ZINC000668435376 487749204 /nfs/dbraw/zinc/74/92/04/487749204.db2.gz FARFBYDXHZGUOR-SNVBAGLBSA-N 0 3 232.299 0.573 20 0 BCADHN C[C@H](NCC(=O)Nc1ccon1)[C@@H]1CCOC1 ZINC000681220833 487750357 /nfs/dbraw/zinc/75/03/57/487750357.db2.gz IZFVQPTVVRSNNP-DTWKUNHWSA-N 0 3 239.275 0.628 20 0 BCADHN CC(C)CC[C@H](O)CN1CCC(O)(CO)CC1 ZINC000661619109 487751767 /nfs/dbraw/zinc/75/17/67/487751767.db2.gz FUBIIWLOFNNVET-LBPRGKRZSA-N 0 3 245.363 0.603 20 0 BCADHN CCC[C@@H](N)c1cn(C(COC)COC)nn1 ZINC000384914574 487753580 /nfs/dbraw/zinc/75/35/80/487753580.db2.gz CSAQGMNFFWLZHG-SNVBAGLBSA-N 0 3 242.323 0.912 20 0 BCADHN CC[C@H](C(=O)NCC1(CO)CC1)N(CC)CC ZINC000675612718 487753181 /nfs/dbraw/zinc/75/31/81/487753181.db2.gz XOGMSOUSHMSBCK-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000233968524 487755152 /nfs/dbraw/zinc/75/51/52/487755152.db2.gz HAEUDAXMFRUKAI-PTRXPTGYSA-N 0 3 241.335 0.084 20 0 BCADHN CCO[C@@H]1CCCN(C(=O)[C@H](C)NC)C1 ZINC000054076671 487761786 /nfs/dbraw/zinc/76/17/86/487761786.db2.gz AVKGBQCYIVIPJW-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H](C)NC(=S)N[C@H]1CCN(C)C1 ZINC000749766779 585205968 /nfs/dbraw/zinc/20/59/68/585205968.db2.gz LZGOMQGELYAUBV-IUCAKERBSA-N 0 3 215.366 0.953 20 0 BCADHN CCN1C[C@@H](CNCc2cc(C)no2)CC1=O ZINC000631169482 487763396 /nfs/dbraw/zinc/76/33/96/487763396.db2.gz WYTZYCMGKDTCBV-SNVBAGLBSA-N 0 3 237.303 0.941 20 0 BCADHN C[C@@H]1CCCN(C[C@@H]2CN(C)C(=O)O2)[C@H]1CO ZINC000496277742 533689731 /nfs/dbraw/zinc/68/97/31/533689731.db2.gz TVSLINIJZNQWFS-VWYCJHECSA-N 0 3 242.319 0.530 20 0 BCADHN C[C@H](CO)CN1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000684101627 487765822 /nfs/dbraw/zinc/76/58/22/487765822.db2.gz UWUCITIPNNVWJJ-WUHRBBMRSA-N 0 3 243.347 0.883 20 0 BCADHN C[C@H](CNC(=O)c1cnc2n1CCC2)N(C)C ZINC000666243752 487767498 /nfs/dbraw/zinc/76/74/98/487767498.db2.gz OLLCHZAMNAHQHD-SECBINFHSA-N 0 3 236.319 0.509 20 0 BCADHN CO[C@@H](C(=O)NC[C@@H](C)N(C)C)C1CCC1 ZINC000666243394 487767561 /nfs/dbraw/zinc/76/75/61/487767561.db2.gz HJALSSKRBSJISD-MWLCHTKSSA-N 0 3 228.336 0.868 20 0 BCADHN CCn1nccc1C(=O)N(C)CCN(C)C ZINC000681280206 487768439 /nfs/dbraw/zinc/76/84/39/487768439.db2.gz DBBAWRAGAFTCEW-UHFFFAOYSA-N 0 3 224.308 0.537 20 0 BCADHN CCc1nocc1C(=O)NC[C@@H](C)N(C)C ZINC000666243916 487768820 /nfs/dbraw/zinc/76/88/20/487768820.db2.gz PZPNDOWWDIYRBF-MRVPVSSYSA-N 0 3 225.292 0.917 20 0 BCADHN C[C@H](CNC(=O)c1ccc(CO)cc1)N(C)C ZINC000666244663 487768852 /nfs/dbraw/zinc/76/88/52/487768852.db2.gz YVHUFIQTSDXKJX-SNVBAGLBSA-N 0 3 236.315 0.859 20 0 BCADHN CN(Cc1nncn1C)C[C@H]1CCCN1C ZINC000649612544 487770464 /nfs/dbraw/zinc/77/04/64/487770464.db2.gz IGUYUOFKKRDODQ-SNVBAGLBSA-N 0 3 223.324 0.341 20 0 BCADHN CCO[C@@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC000675730776 487771341 /nfs/dbraw/zinc/77/13/41/487771341.db2.gz LFXYASYGTHXLQF-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CN1CCC[C@@H](NC(=O)NCCC(C)(C)O)C1 ZINC000681318009 487776012 /nfs/dbraw/zinc/77/60/12/487776012.db2.gz XTKSYKRBIVFYFX-SNVBAGLBSA-N 0 3 243.351 0.541 20 0 BCADHN CCCC(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000684174305 487782738 /nfs/dbraw/zinc/78/27/38/487782738.db2.gz HBOSFYHOCXODDU-LBPRGKRZSA-N 0 3 228.336 0.702 20 0 BCADHN C[C@@H](C[S@](C)=O)N(C)CCN1CCCC1 ZINC000767845136 585526934 /nfs/dbraw/zinc/52/69/34/585526934.db2.gz RRGGURZYZDUCKN-NHYWBVRUSA-N 0 3 232.393 0.781 20 0 BCADHN C[C@@H](CNC(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000669412150 487785060 /nfs/dbraw/zinc/78/50/60/487785060.db2.gz BYZNSCJCFJYPMN-ONGXEEELSA-N 0 3 241.335 0.320 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1C[C@@]12CCOC2)N(C)C ZINC000359316919 487786859 /nfs/dbraw/zinc/78/68/59/487786859.db2.gz SADKYKGDFNVXTK-JFGNBEQYSA-N 0 3 226.320 0.479 20 0 BCADHN CCN1CCN(C[C@H]2CNc3ccnn3C2)CC1 ZINC000684196850 487788653 /nfs/dbraw/zinc/78/86/53/487788653.db2.gz UETUSWBBKRQPHW-GFCCVEGCSA-N 0 3 249.362 0.562 20 0 BCADHN C[C@@H](N[C@@H](CO)CC1CC1)c1ccc(=O)[nH]n1 ZINC000671754122 487789848 /nfs/dbraw/zinc/78/98/48/487789848.db2.gz SWTWEIBKLUQSFC-PSASIEDQSA-N 0 3 237.303 0.994 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N[C@@H](C)CO)C1 ZINC000666350312 487791494 /nfs/dbraw/zinc/79/14/94/487791494.db2.gz NESZQNFZLGXUIS-VHSXEESVSA-N 0 3 229.324 0.151 20 0 BCADHN C[C@H](CO)N1CCCN(c2ncccn2)CC1 ZINC000364982704 487794357 /nfs/dbraw/zinc/79/43/57/487794357.db2.gz MEEXBLRICOYQBG-LLVKDONJSA-N 0 3 236.319 0.370 20 0 BCADHN COCC1(NC(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000675962985 487796829 /nfs/dbraw/zinc/79/68/29/487796829.db2.gz KFYZJOCLYWDYTB-JTQLQIEISA-N 0 3 241.335 0.559 20 0 BCADHN C[C@@H]1CCCN(C[C@H]2CNC(=O)O2)[C@@H]1CO ZINC000496620568 533692391 /nfs/dbraw/zinc/69/23/91/533692391.db2.gz CYRNYVGDHNZZDK-OPRDCNLKSA-N 0 3 228.292 0.188 20 0 BCADHN CCn1nccc1CNC(=O)[C@@H](N)C(C)C ZINC000663001643 487800901 /nfs/dbraw/zinc/80/09/01/487800901.db2.gz WWLHMMCZUYVUFO-JTQLQIEISA-N 0 3 224.308 0.503 20 0 BCADHN C[C@@H]1CN(C(=O)C[C@H]2CCCO2)[C@H](C)CN1 ZINC000251830928 487801012 /nfs/dbraw/zinc/80/10/12/487801012.db2.gz PNKMHHLJKXOPES-GMTAPVOTSA-N 0 3 226.320 0.764 20 0 BCADHN CCn1nccc1CNC(=O)CNC(C)C ZINC000663001865 487801401 /nfs/dbraw/zinc/80/14/01/487801401.db2.gz ZFIWQHWCYWMICO-UHFFFAOYSA-N 0 3 224.308 0.517 20 0 BCADHN O[C@@H]1CCCC[C@H]1N1C[C@@H]2COC[C@H](C1)O2 ZINC000338372791 487803556 /nfs/dbraw/zinc/80/35/56/487803556.db2.gz UMTOVGGQHGIRPA-WRWGMCAJSA-N 0 3 227.304 0.390 20 0 BCADHN O=C(NCCN1CCCCC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000666424277 487805158 /nfs/dbraw/zinc/80/51/58/487805158.db2.gz KSLOXTOQGULNHK-GDNZZTSVSA-N 0 3 238.331 0.481 20 0 BCADHN C[C@@H]1CN(Cc2cn[nH]c2)[C@@H](C)CN1C ZINC000681493487 487806170 /nfs/dbraw/zinc/80/61/70/487806170.db2.gz UTNBQMXXDDEQDK-ZJUUUORDSA-N 0 3 208.309 0.934 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cn[nH]c1 ZINC000681493486 487806564 /nfs/dbraw/zinc/80/65/64/487806564.db2.gz UTNBQMXXDDEQDK-VHSXEESVSA-N 0 3 208.309 0.934 20 0 BCADHN COc1ccccc1[C@@H](CO)NCCCO ZINC000309896762 487806820 /nfs/dbraw/zinc/80/68/20/487806820.db2.gz GBUDJRVEPGZPQA-LLVKDONJSA-N 0 3 225.288 0.701 20 0 BCADHN Cc1nc(NC[C@@H](C)N(C)C)nc(N(C)C)n1 ZINC000676076946 487810542 /nfs/dbraw/zinc/81/05/42/487810542.db2.gz ISICCKHBJURTHF-MRVPVSSYSA-N 0 3 238.339 0.608 20 0 BCADHN OC[C@H](CNCc1cn[nH]c1)Cc1ccco1 ZINC000676103903 487813067 /nfs/dbraw/zinc/81/30/67/487813067.db2.gz LUWTYTGMKLVRMA-JTQLQIEISA-N 0 3 235.287 0.944 20 0 BCADHN CN(C)c1ncc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cn1 ZINC000265213770 487816793 /nfs/dbraw/zinc/81/67/93/487816793.db2.gz VEIRYRJBBGIWDG-UTUOFQBUSA-N 0 3 248.330 0.952 20 0 BCADHN CCO[C@@H]1CCCN(CCN2CCNC2=O)C1 ZINC000676181135 487817513 /nfs/dbraw/zinc/81/75/13/487817513.db2.gz SEWRWIHXJXRKIF-LLVKDONJSA-N 0 3 241.335 0.513 20 0 BCADHN CN1CCC[C@H](NC(=O)NCCN2CCC2)C1 ZINC000677008304 487818189 /nfs/dbraw/zinc/81/81/89/487818189.db2.gz ABZVQVJOSZXJEO-NSHDSACASA-N 0 3 240.351 0.086 20 0 BCADHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ncccn1 ZINC000645358267 487819891 /nfs/dbraw/zinc/81/98/91/487819891.db2.gz BXSPJJVACNWVTL-JTQLQIEISA-N 0 3 249.318 0.033 20 0 BCADHN Cn1cnc(C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000676211582 487822284 /nfs/dbraw/zinc/82/22/84/487822284.db2.gz ULDZPHITWMAIRB-NSHDSACASA-N 0 3 248.330 0.634 20 0 BCADHN CS(=O)(=O)CCCOc1ccccc1CN ZINC000063014192 322943259 /nfs/dbraw/zinc/94/32/59/322943259.db2.gz OLKXSWRMJQWORM-UHFFFAOYSA-N 0 3 243.328 0.959 20 0 BCADHN C[C@@H](CN1CCCCC1)NC(=O)NCCO ZINC000303090895 487827877 /nfs/dbraw/zinc/82/78/77/487827877.db2.gz CKFGOTDJXQUWTE-JTQLQIEISA-N 0 3 229.324 0.152 20 0 BCADHN CC(=O)OCCNC(=O)CN(C)C(C)C ZINC000798257013 586142059 /nfs/dbraw/zinc/14/20/59/586142059.db2.gz VBKCIOKADGNGFT-UHFFFAOYSA-N 0 3 216.281 0.006 20 0 BCADHN CCCN[C@@H](C)C(=O)Nc1ccnn1C ZINC000569236475 322945864 /nfs/dbraw/zinc/94/58/64/322945864.db2.gz PRJKRHVYZNURHV-QMMMGPOBSA-N 0 3 210.281 0.747 20 0 BCADHN CSCSc1nnnn1CCN(C)C ZINC000814742420 586631396 /nfs/dbraw/zinc/63/13/96/586631396.db2.gz OZGFWCLEFCZJIK-UHFFFAOYSA-N 0 3 233.366 0.647 20 0 BCADHN CCOC(=O)[C@H](C)N(C)C(=O)/C=C\CN(C)C ZINC000493870539 527952979 /nfs/dbraw/zinc/95/29/79/527952979.db2.gz NNRRFEUKDATXPI-DMEOUFDRSA-N 0 3 242.319 0.514 20 0 BCADHN CCO[C@@H]1C[C@H]1NC(=O)/C=C\CN(C)C ZINC000493317582 527968039 /nfs/dbraw/zinc/96/80/39/527968039.db2.gz GSWVRNNZJLZXTP-KWMOZEJZSA-N 0 3 212.293 0.398 20 0 BCADHN C[C@@H]1C[C@H](N(C)CC[S@@](C)=O)CCN1C ZINC000827976023 587414574 /nfs/dbraw/zinc/41/45/74/587414574.db2.gz NQLUFLLXRRXVAD-UEKVPHQBSA-N 0 3 232.393 0.779 20 0 BCADHN CO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000672139214 487832858 /nfs/dbraw/zinc/83/28/58/487832858.db2.gz GGIIMAPXBKHBPG-AXFHLTTASA-N 0 3 226.320 0.716 20 0 BCADHN CCC[C@H](O)C(=O)NC[C@H]1CCCN1C ZINC000827135594 587370414 /nfs/dbraw/zinc/37/04/14/587370414.db2.gz FUIPNEWBRXTKGA-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN CO[C@@H]1CCCN(CC[S@](C)=O)CC1 ZINC000828217659 587424284 /nfs/dbraw/zinc/42/42/84/587424284.db2.gz IVDUPPPAJPKRHO-YGRLFVJLSA-N 0 3 219.350 0.866 20 0 BCADHN CC[C@H](C[C@H](C)O)NC(=O)[C@H](CC)N(C)C ZINC000831285749 587595414 /nfs/dbraw/zinc/59/54/14/587595414.db2.gz GDCTVULLXKDXFE-AXFHLTTASA-N 0 3 230.352 0.992 20 0 BCADHN CCCCN(CCO)C[C@H]1CN(C)C(=O)O1 ZINC000496728994 528428498 /nfs/dbraw/zinc/42/84/98/528428498.db2.gz ZJVUHFXYCKAYGG-SNVBAGLBSA-N 0 3 230.308 0.531 20 0 BCADHN CCO/C=C/C(=O)NCC1(N(C)C)CC1 ZINC000493319822 528476437 /nfs/dbraw/zinc/47/64/37/528476437.db2.gz KVBHBPXUXPKZTG-VMPITWQZSA-N 0 3 212.293 0.747 20 0 BCADHN CS(=O)(=O)CCN[C@@H]1CCC[C@@H](CO)C1 ZINC000843080017 588080096 /nfs/dbraw/zinc/08/00/96/588080096.db2.gz CICRXZRJVZRTTK-NXEZZACHSA-N 0 3 235.349 0.172 20 0 BCADHN COCCCN(C)CCNC(=O)C1(F)CC1 ZINC000843804545 588141777 /nfs/dbraw/zinc/14/17/77/588141777.db2.gz IFRVWYAVAGQJMZ-UHFFFAOYSA-N 0 3 232.299 0.573 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000494689150 528500149 /nfs/dbraw/zinc/50/01/49/528500149.db2.gz ZEPUNXCNKNUYGU-ZDCRXTMVSA-N 0 3 240.347 0.899 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@@H]1NCC1(C)C ZINC000390771354 487839714 /nfs/dbraw/zinc/83/97/14/487839714.db2.gz WEXGWQBXKFULRM-BDAKNGLRSA-N 0 3 214.309 0.262 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@H]1NCC1(C)C ZINC000390771355 487839734 /nfs/dbraw/zinc/83/97/34/487839734.db2.gz WEXGWQBXKFULRM-DTWKUNHWSA-N 0 3 214.309 0.262 20 0 BCADHN C[C@@H]1CN(C[C@H]2CNCCO2)CCS1 ZINC000252978950 487841227 /nfs/dbraw/zinc/84/12/27/487841227.db2.gz FKFBGMRJAYWSAV-NXEZZACHSA-N 0 3 216.350 0.412 20 0 BCADHN CCNCC(=O)NCCCc1ccco1 ZINC000851647596 588613084 /nfs/dbraw/zinc/61/30/84/588613084.db2.gz OASSVQBBRLIRTN-UHFFFAOYSA-N 0 3 210.277 0.938 20 0 BCADHN CCN(C[C@H]1CCC(=O)O1)[C@@H](C)CO ZINC000852095164 588660545 /nfs/dbraw/zinc/66/05/45/588660545.db2.gz KGDZFSZFNCNARC-DTWKUNHWSA-N 0 3 201.266 0.395 20 0 BCADHN CN(CCCCO)C[C@H]1COC(C)(C)O1 ZINC000851976373 588650701 /nfs/dbraw/zinc/65/07/01/588650701.db2.gz DBYBWUAHFPJIKO-JTQLQIEISA-N 0 3 217.309 0.842 20 0 BCADHN CCOCCN(C)CCN(C)C(=O)OC ZINC000852568460 588691231 /nfs/dbraw/zinc/69/12/31/588691231.db2.gz GCIBSZXZFYZTCG-UHFFFAOYSA-N 0 3 218.297 0.653 20 0 BCADHN CCNCC(=O)N(C)CC1=CCSC1 ZINC000852920757 588713498 /nfs/dbraw/zinc/71/34/98/588713498.db2.gz YTODBBIETYOZNX-UHFFFAOYSA-N 0 3 214.334 0.728 20 0 BCADHN C[C@H]1CC(=O)NCCN1C[C@@H](O)C(C)(C)C ZINC000676385495 487843784 /nfs/dbraw/zinc/84/37/84/487843784.db2.gz XIWWIDHRPGLOBG-VHSXEESVSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1CN(Cc2ccn(C)c(=O)c2)CC[C@@H]1O ZINC000681707505 487843613 /nfs/dbraw/zinc/84/36/13/487843613.db2.gz APWYIEBYSFJZIB-PWSUYJOCSA-N 0 3 236.315 0.588 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@H](N)CC(F)F)C1 ZINC000389891709 487844652 /nfs/dbraw/zinc/84/46/52/487844652.db2.gz OAPRNXBACKJOBY-DTWKUNHWSA-N 0 3 249.305 0.569 20 0 BCADHN CC1(C)CNCCN1C(=O)c1ccccn1 ZINC000062609504 487845748 /nfs/dbraw/zinc/84/57/48/487845748.db2.gz CJULOWZJZIENEB-UHFFFAOYSA-N 0 3 219.288 0.906 20 0 BCADHN CC[C@@H](N)C(=O)N(CC)[C@H]1CCCOC1 ZINC000402711749 487846841 /nfs/dbraw/zinc/84/68/41/487846841.db2.gz RXWHMJZEOMPURX-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN CC[C@H]1CN(C[C@H]2CNCCO2)CCS1 ZINC000253079827 487846464 /nfs/dbraw/zinc/84/64/64/487846464.db2.gz UYIHKEUCFBABKT-MNOVXSKESA-N 0 3 230.377 0.802 20 0 BCADHN CCN(CCOCCO)C[C@](C)(O)C(F)F ZINC000886190476 592173139 /nfs/dbraw/zinc/17/31/39/592173139.db2.gz RSXFFBDWMYEDCD-JTQLQIEISA-N 0 3 241.278 0.333 20 0 BCADHN C[C@@H](O)CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886810958 592335772 /nfs/dbraw/zinc/33/57/72/592335772.db2.gz IGHXWZRVIGVTKM-HTQZYQBOSA-N 0 3 227.226 0.614 20 0 BCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cnc[nH]1 ZINC000594872602 487852159 /nfs/dbraw/zinc/85/21/59/487852159.db2.gz JWIVZGTXFWBMJF-SNVBAGLBSA-N 0 3 234.303 0.624 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCc1nncn1C1CC1 ZINC000645943503 487853680 /nfs/dbraw/zinc/85/36/80/487853680.db2.gz OLHCPVBAIJTBFP-JTQLQIEISA-N 0 3 249.318 0.227 20 0 BCADHN CCCCCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000668164631 487856102 /nfs/dbraw/zinc/85/61/02/487856102.db2.gz WTCBCTDIGGUHTG-NSHDSACASA-N 0 3 242.367 0.461 20 0 BCADHN CCO[C@@H]1C[C@@H]1NC(=O)NC1CCN(C)CC1 ZINC000559259941 322961114 /nfs/dbraw/zinc/96/11/14/322961114.db2.gz DAQAJQRJXNTIQF-WDEREUQCSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccnc(CN)c2)[C@H](C)CN1 ZINC000564931832 322963330 /nfs/dbraw/zinc/96/33/30/322963330.db2.gz VCNLISKJAHLVHE-NXEZZACHSA-N 0 3 248.330 0.363 20 0 BCADHN CC(C)OCCN1CCNC[C@@H]1C(F)F ZINC000309542456 322964153 /nfs/dbraw/zinc/96/41/53/322964153.db2.gz YSQBCIAQTNCIHH-SECBINFHSA-N 0 3 222.279 0.950 20 0 BCADHN CCC(=O)N[C@@H]1CCN(C[C@H](C)OC)C1 ZINC001009816890 642842332 /nfs/dbraw/zinc/84/23/32/642842332.db2.gz RFUGBZLDIXVDIO-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CCN1C[C@H](N[C@@H]2CO[C@H](C3CC3)C2)CC1=O ZINC000668217538 487879692 /nfs/dbraw/zinc/87/96/92/487879692.db2.gz JXSDCPPMLZROEF-WOPDTQHZSA-N 0 3 238.331 0.764 20 0 BCADHN CC(C)COCCCNC(=O)[C@@]1(F)CCNC1 ZINC000363749363 322974585 /nfs/dbraw/zinc/97/45/85/322974585.db2.gz KCVYBBPYKKTHMQ-GFCCVEGCSA-N 0 3 246.326 0.867 20 0 BCADHN COCCCN1CCN(CCO)C(C)(C)C1 ZINC000682035990 487886487 /nfs/dbraw/zinc/88/64/87/487886487.db2.gz GHLOFDGAADAFCM-UHFFFAOYSA-N 0 3 230.352 0.411 20 0 BCADHN CC(C)(O)CCN1CCN(CCO)C(C)(C)C1 ZINC000682035614 487885968 /nfs/dbraw/zinc/88/59/68/487885968.db2.gz OBYODIBZQRSVJH-UHFFFAOYSA-N 0 3 244.379 0.536 20 0 BCADHN CC1(C)C[C@H](N2CCN3CCOC[C@H]3C2)CO1 ZINC000660273452 487887358 /nfs/dbraw/zinc/88/73/58/487887358.db2.gz HIBNGRJNJUMXBP-NWDGAFQWSA-N 0 3 240.347 0.570 20 0 BCADHN C[C@H](CO)CN1CCN(CCO)C(C)(C)C1 ZINC000682037552 487887440 /nfs/dbraw/zinc/88/74/40/487887440.db2.gz GUBXOZZATSOMOG-NSHDSACASA-N 0 3 230.352 0.003 20 0 BCADHN C[C@H](NCCc1nnnn1C)c1cccc(O)c1 ZINC000669615814 487890209 /nfs/dbraw/zinc/89/02/09/487890209.db2.gz OUTKMNHCEXXXCA-VIFPVBQESA-N 0 3 247.302 0.809 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652257339 487893989 /nfs/dbraw/zinc/89/39/89/487893989.db2.gz RDMNGNKGQSHQIY-NGZCFLSTSA-N 0 3 248.330 0.651 20 0 BCADHN Cc1n[nH]cc1[C@H](C)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652258549 487894992 /nfs/dbraw/zinc/89/49/92/487894992.db2.gz UBWGEWBQZQYODE-CNUIFLNQSA-N 0 3 222.292 0.633 20 0 BCADHN C[C@H](Cn1cccn1)NCc1cncnc1 ZINC000054767847 487895532 /nfs/dbraw/zinc/89/55/32/487895532.db2.gz ZMDZHXCVJSZGPR-SNVBAGLBSA-N 0 3 217.276 0.851 20 0 BCADHN NC[C@@H](NC(=O)Cc1ccon1)C(F)(F)F ZINC000655516381 487897832 /nfs/dbraw/zinc/89/78/32/487897832.db2.gz ULVRIELZKMCVTL-ZCFIWIBFSA-N 0 3 237.181 0.223 20 0 BCADHN O=C1CC[C@@H](CN[C@@H](CO)c2ccccc2)N1 ZINC000226730264 487898024 /nfs/dbraw/zinc/89/80/24/487898024.db2.gz WQNKDJHOYNAKSA-RYUDHWBXSA-N 0 3 234.299 0.588 20 0 BCADHN c1ccc(CN2CCOC3(CNC3)C2)cc1 ZINC000083302805 487898351 /nfs/dbraw/zinc/89/83/51/487898351.db2.gz SVGCANISGGYULQ-UHFFFAOYSA-N 0 3 218.300 0.861 20 0 BCADHN C[C@H](N)C(=O)NCc1cccc(F)c1F ZINC000083347699 487904764 /nfs/dbraw/zinc/90/47/64/487904764.db2.gz BUFZWRGWDQFJOD-LURJTMIESA-N 0 3 214.215 0.928 20 0 BCADHN FC(F)CN(C[C@@H]1CNCCO1)C1CC1 ZINC000386990827 487905233 /nfs/dbraw/zinc/90/52/33/487905233.db2.gz CCJWABBTRXOBSZ-VIFPVBQESA-N 0 3 220.263 0.704 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N[C@H]2C[C@@H](O)C2)C1 ZINC000666921026 487906129 /nfs/dbraw/zinc/90/61/29/487906129.db2.gz KTWCTEOVVAVTGO-MXWKQRLJSA-N 0 3 241.335 0.293 20 0 BCADHN CCCN1CC[C@H](NC(=O)NCCCCO)C1 ZINC000666923270 487906342 /nfs/dbraw/zinc/90/63/42/487906342.db2.gz HQXAYZHAFHTZJM-NSHDSACASA-N 0 3 243.351 0.542 20 0 BCADHN Cc1nc([C@H](C)N2C[C@@H]3COC[C@@H]3C2)n[nH]1 ZINC000634779186 487908024 /nfs/dbraw/zinc/90/80/24/487908024.db2.gz GOKTYAMDVRDUII-UJNFCWOMSA-N 0 3 222.292 0.752 20 0 BCADHN CCc1nn(C)cc1CNC[C@@H]1C[C@H](F)CN1 ZINC000666945284 487910670 /nfs/dbraw/zinc/91/06/70/487910670.db2.gz ILBHXHLZRHILOX-QWRGUYRKSA-N 0 3 240.326 0.772 20 0 BCADHN CN(CC[C@H]1CCOC1)CC(=O)N1CCCC1 ZINC000682150650 487910997 /nfs/dbraw/zinc/91/09/97/487910997.db2.gz DUOHBLFBARYHRX-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN C[C@H](O)CN[C@](C)(CO)c1ccccc1 ZINC000157574195 487914582 /nfs/dbraw/zinc/91/45/82/487914582.db2.gz YMQLNPZKHJNQHF-CMPLNLGQSA-N 0 3 209.289 0.865 20 0 BCADHN C[C@@H](O)CN[C@@](C)(CO)c1ccccc1 ZINC000157574048 487914853 /nfs/dbraw/zinc/91/48/53/487914853.db2.gz YMQLNPZKHJNQHF-PWSUYJOCSA-N 0 3 209.289 0.865 20 0 BCADHN Cc1cn[nH]c1CN1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000668542441 487914973 /nfs/dbraw/zinc/91/49/73/487914973.db2.gz AMOALSKBQUFQMS-MNOVXSKESA-N 0 3 248.330 0.819 20 0 BCADHN CCNC(=O)CN(C)CC[C@H]1CCOC1 ZINC000682153144 487915689 /nfs/dbraw/zinc/91/56/89/487915689.db2.gz ZHZDKJOJCLBBMX-JTQLQIEISA-N 0 3 214.309 0.481 20 0 BCADHN Cc1cc(CC(=O)N2CC[C@H]3CN(C)C[C@@H]32)on1 ZINC000652322637 487918572 /nfs/dbraw/zinc/91/85/72/487918572.db2.gz QGYSVDADFIJBCX-JQWIXIFHSA-N 0 3 249.314 0.688 20 0 BCADHN Cc1cc(CC(=O)N2CC[C@@H]3CN(C)C[C@H]32)on1 ZINC000652322639 487918878 /nfs/dbraw/zinc/91/88/78/487918878.db2.gz QGYSVDADFIJBCX-ZYHUDNBSSA-N 0 3 249.314 0.688 20 0 BCADHN CC[C@H](C)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673512107 487920482 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TVHZHMLXWXKOMS-RYUDHWBXSA-N 0 3 238.331 0.954 20 0 BCADHN NC(=O)C[C@@H]1CCN(CCOCC(F)F)C1 ZINC000676898754 487943794 /nfs/dbraw/zinc/94/37/94/487943794.db2.gz VXGYOLRUBVMXGW-QMMMGPOBSA-N 0 3 236.262 0.465 20 0 BCADHN C[C@H](CO)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000684626781 487949163 /nfs/dbraw/zinc/94/91/63/487949163.db2.gz AHCWHYPTLDVDLP-WCQYABFASA-N 0 3 243.347 0.885 20 0 BCADHN CCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673517760 487952189 /nfs/dbraw/zinc/95/21/89/487952189.db2.gz OIHXTJNPTVFXJC-ZJUUUORDSA-N 0 3 212.293 0.064 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3cccn3C)[C@@H]2C1 ZINC000644821843 487953837 /nfs/dbraw/zinc/95/38/37/487953837.db2.gz HNSDKFQZXMIDNX-CMPLNLGQSA-N 0 3 233.315 0.801 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000667183211 487954555 /nfs/dbraw/zinc/95/45/55/487954555.db2.gz SOEDYQCKBQAKPY-YJQGPUDQSA-N 0 3 236.315 0.232 20 0 BCADHN C[C@H]([NH3+])CCNC(=O)c1ccccc1[O-] ZINC000063170596 322810018 /nfs/dbraw/zinc/81/00/18/322810018.db2.gz FFEBMKBVFFZEOG-QMMMGPOBSA-N 0 3 208.261 0.859 20 0 BCADHN COc1nccc(CN[C@@H]2CCC[C@@H]2CO)n1 ZINC000312872140 322934213 /nfs/dbraw/zinc/93/42/13/322934213.db2.gz DXDUUTTZDDQJTL-MWLCHTKSSA-N 0 3 237.303 0.736 20 0 BCADHN COC[C@H](N[C@@H]1CCCS(=O)(=O)C1)C(C)C ZINC000083398755 322960069 /nfs/dbraw/zinc/96/00/69/322960069.db2.gz FFNUFBSCZBTICC-MNOVXSKESA-N 0 3 249.376 0.824 20 0 BCADHN NC(=O)CCNCc1ccc(OCC2CC2)nc1 ZINC000569450195 322966561 /nfs/dbraw/zinc/96/65/61/322966561.db2.gz WPJUNXIZHLGQMQ-UHFFFAOYSA-N 0 3 249.314 0.835 20 0 BCADHN C[C@H](CNCCc1ccccn1)S(C)(=O)=O ZINC000569474542 322967436 /nfs/dbraw/zinc/96/74/36/322967436.db2.gz IXAWFFKYCMVDLL-SNVBAGLBSA-N 0 3 242.344 0.647 20 0 BCADHN O[C@H](CN[C@@H]1C[C@H](O)C1)COc1ccccc1 ZINC000564974410 322985675 /nfs/dbraw/zinc/98/56/75/322985675.db2.gz AXFYAGQYKXOUFP-GRYCIOLGSA-N 0 3 237.299 0.539 20 0 BCADHN C=Cn1cc(CNC[C@H](O)[C@@H]2CCOC2)cn1 ZINC000564409728 322992978 /nfs/dbraw/zinc/99/29/78/322992978.db2.gz YWJRFLMNEFPAFS-NEPJUHHUSA-N 0 3 237.303 0.471 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)COC[C@@H]1CCCO1 ZINC000561769850 323006789 /nfs/dbraw/zinc/00/67/89/323006789.db2.gz MBPNDFWIRNBOCW-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1[C@@H](C)C1(F)F ZINC000561770385 323006798 /nfs/dbraw/zinc/00/67/98/323006798.db2.gz KFYLEWPPBCVPCN-XLPZGREQSA-N 0 3 220.263 0.954 20 0 BCADHN CC(C)[C@@H](CO)NC[C@H](C)S(C)(=O)=O ZINC000564728069 323010977 /nfs/dbraw/zinc/01/09/77/323010977.db2.gz CMGKJPNQYSIUMH-DTWKUNHWSA-N 0 3 223.338 0.026 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)[C@H](C)CO ZINC000151187665 323012741 /nfs/dbraw/zinc/01/27/41/323012741.db2.gz CNXGUMNDNOSTMV-ZJUUUORDSA-N 0 3 216.325 0.461 20 0 BCADHN Cn1nncc1CNCCc1ccncc1 ZINC000131680323 323013411 /nfs/dbraw/zinc/01/34/11/323013411.db2.gz IIIBPFFOUIGXDC-UHFFFAOYSA-N 0 3 217.276 0.542 20 0 BCADHN CN(C)C(=O)CCCN1CCN(C2CC2)CC1 ZINC000562372006 323018188 /nfs/dbraw/zinc/01/81/88/323018188.db2.gz VBTGOLDSVSOBBY-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN 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325281546 /nfs/dbraw/zinc/28/15/46/325281546.db2.gz YGWSLTDHGPKDBL-MWLCHTKSSA-N 0 3 222.288 0.990 20 0 BCADHN CCOCCCNC(=O)NCCN(C)C ZINC000133324754 325286369 /nfs/dbraw/zinc/28/63/69/325286369.db2.gz GHLKILPAHFDJCY-UHFFFAOYSA-N 0 3 217.313 0.274 20 0 BCADHN COC(=O)C[C@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000133331710 325287079 /nfs/dbraw/zinc/28/70/79/325287079.db2.gz PHCWEDPQXWZZQM-UWVGGRQHSA-N 0 3 242.319 0.396 20 0 BCADHN CCN1CCN(CCC(=O)OC(C)C)CC1 ZINC000075615980 325303254 /nfs/dbraw/zinc/30/32/54/325303254.db2.gz AHPGXXFBNNZRDJ-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CSC[C@H](C)NC(=O)NCCN(C)C ZINC000133717330 325313087 /nfs/dbraw/zinc/31/30/87/325313087.db2.gz RYJNFPMACHKKQC-QMMMGPOBSA-N 0 3 219.354 0.599 20 0 BCADHN CCN1CCN(CCNC(=O)C2CCC2)CC1 ZINC000075851489 325317203 /nfs/dbraw/zinc/31/72/03/325317203.db2.gz OPIJHJHAQBDFIX-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN CN1CCC(NC(=O)C[C@H]2CCCO2)CC1 ZINC000076266425 325338251 /nfs/dbraw/zinc/33/82/51/325338251.db2.gz 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240.303 0.724 20 0 BCADHN O=C(c1cncnc1)N1CC[C@@H](N2CCCC2)C1 ZINC000082267395 325534963 /nfs/dbraw/zinc/53/49/63/325534963.db2.gz COYLTLVRYRCBHL-GFCCVEGCSA-N 0 3 246.314 0.787 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCCOC1 ZINC000082303065 325536676 /nfs/dbraw/zinc/53/66/76/325536676.db2.gz VRSWUZNLYKZLPP-SECBINFHSA-N 0 3 200.282 0.091 20 0 BCADHN Cc1cc(C)n(CCN2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661715928 487968494 /nfs/dbraw/zinc/96/84/94/487968494.db2.gz KSIAADCPTJYWGE-QWHCGFSZSA-N 0 3 235.331 0.957 20 0 BCADHN CN(C)CCNC(=O)N[C@H]1CC[C@H](O)CC1 ZINC000551528446 325559589 /nfs/dbraw/zinc/55/95/89/325559589.db2.gz UAQHGDMEIAWZFT-MGCOHNPYSA-N 0 3 229.324 0.151 20 0 BCADHN CCCNC(=O)NC1CCN(CCOC)CC1 ZINC000140176164 325585507 /nfs/dbraw/zinc/58/55/07/325585507.db2.gz KVKBVSLQHPYCMW-UHFFFAOYSA-N 0 3 243.351 0.806 20 0 BCADHN C[C@H](N)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000552859919 325667977 /nfs/dbraw/zinc/66/79/77/325667977.db2.gz QNWFQZJSUSCULQ-VIFPVBQESA-N 0 3 245.286 0.612 20 0 BCADHN CC1(C)C[C@H](N[C@H]2COC[C@H]2O)C(C)(C)O1 ZINC000252736850 325693933 /nfs/dbraw/zinc/69/39/33/325693933.db2.gz AIDQUDQHPAEZSY-AEJSXWLSSA-N 0 3 229.320 0.682 20 0 BCADHN CC[C@H](C)OCC(=O)NC[C@](C)(O)CN(C)C ZINC000152715043 325794566 /nfs/dbraw/zinc/79/45/66/325794566.db2.gz XZXPPDHFNMBZKM-JQWIXIFHSA-N 0 3 246.351 0.230 20 0 BCADHN O=S1(=O)CCC[C@@H]1CNCC1(O)CCC1 ZINC000564792079 325809584 /nfs/dbraw/zinc/80/95/84/325809584.db2.gz AWOAWJRTNPGNHT-SECBINFHSA-N 0 3 233.333 0.068 20 0 BCADHN CC1(C)[C@H](NC(=O)CNC2CC2)[C@@H]2CCO[C@H]21 ZINC000564834478 325814093 /nfs/dbraw/zinc/81/40/93/325814093.db2.gz DNKZJMFTPBUTAL-MVWJERBFSA-N 0 3 238.331 0.668 20 0 BCADHN COCCOCCn1cc2c(n1)[C@@H](N)CCC2 ZINC000564840421 325814923 /nfs/dbraw/zinc/81/49/23/325814923.db2.gz HEGTYQROIJHOLE-NSHDSACASA-N 0 3 239.319 0.882 20 0 BCADHN C[C@H](CNC1CC(C)(F)C1)S(C)(=O)=O ZINC000564858670 325818617 /nfs/dbraw/zinc/81/86/17/325818617.db2.gz CXCMGFAUVKTBBG-AFPNSQJFSA-N 0 3 223.313 0.900 20 0 BCADHN CC[C@@H]([NH3+])C(=O)NCc1ncccc1[O-] ZINC000564938700 325829660 /nfs/dbraw/zinc/82/96/60/325829660.db2.gz YPTDBMAHUGEPIV-SSDOTTSWSA-N 0 3 209.249 0.141 20 0 BCADHN OC1(CN2CCSCC2)CCOCC1 ZINC000152969911 325836004 /nfs/dbraw/zinc/83/60/04/325836004.db2.gz UYFHZYCDHMOWLL-UHFFFAOYSA-N 0 3 217.334 0.577 20 0 BCADHN FC(F)[C@H]1CNCCN1CCOCC1CC1 ZINC000564987096 325840017 /nfs/dbraw/zinc/84/00/17/325840017.db2.gz OVJPHBPUXLOMDF-SNVBAGLBSA-N 0 3 234.290 0.952 20 0 BCADHN C[C@@H](NCCC(N)=O)C(=O)N1CCCC[C@@H]1C ZINC000565417134 325907609 /nfs/dbraw/zinc/90/76/09/325907609.db2.gz OASHOJWMKALUSF-VHSXEESVSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@H](NCCC(N)=O)C(=O)N1CCCC[C@@H]1C ZINC000565417132 325907753 /nfs/dbraw/zinc/90/77/53/325907753.db2.gz OASHOJWMKALUSF-UWVGGRQHSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@H](N)C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000565543010 325925373 /nfs/dbraw/zinc/92/53/73/325925373.db2.gz GOVRUNHMOACFKL-WCBMZHEXSA-N 0 3 247.298 0.576 20 0 BCADHN COCCN(CCN(C)C)CC1(F)CC1 ZINC000565685660 325943211 /nfs/dbraw/zinc/94/32/11/325943211.db2.gz ZGUJBRNZRLZNCX-UHFFFAOYSA-N 0 3 218.316 0.999 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)CCC1CC1 ZINC000153346003 325946390 /nfs/dbraw/zinc/94/63/90/325946390.db2.gz NCTOXTMBHFXDDU-GFCCVEGCSA-N 0 3 228.336 0.605 20 0 BCADHN CNC(=O)[C@@H]([NH2+]Cc1ncccc1[O-])C(C)C ZINC000565860036 325966192 /nfs/dbraw/zinc/96/61/92/325966192.db2.gz JYOSGTPBPSDPEL-NSHDSACASA-N 0 3 237.303 0.647 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@H](C)NC ZINC000565904966 325972797 /nfs/dbraw/zinc/97/27/97/325972797.db2.gz PIRHZNZCZZHCKU-XHNCKOQMSA-N 0 3 202.298 0.118 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCC(CO)CC2)C1 ZINC000654928376 487971276 /nfs/dbraw/zinc/97/12/76/487971276.db2.gz NXIPTQBZPKKIIP-LLVKDONJSA-N 0 3 240.347 0.559 20 0 BCADHN C[C@H](CNCCC1(O)CCC1)S(C)(=O)=O ZINC000566128594 326000805 /nfs/dbraw/zinc/00/08/05/326000805.db2.gz FMTWLIVWNZRIKP-SECBINFHSA-N 0 3 235.349 0.314 20 0 BCADHN CC[C@@H](N)C(=O)NCCN(C)CC(F)(F)F ZINC000566176601 326006819 /nfs/dbraw/zinc/00/68/19/326006819.db2.gz RFUIYMPSGFXXDQ-SSDOTTSWSA-N 0 3 241.257 0.334 20 0 BCADHN C[C@@H](CNc1ccccc1)NC(=O)[C@@H]1C[C@@H]1N ZINC000566190217 326009359 /nfs/dbraw/zinc/00/93/59/326009359.db2.gz CSFBYDXXDFPDPV-WCQGTBRESA-N 0 3 233.315 0.950 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000566189215 326009503 /nfs/dbraw/zinc/00/95/03/326009503.db2.gz NKAJOQUIGCLNTM-USZNOCQGSA-N 0 3 232.283 0.108 20 0 BCADHN CCCN[C@@H](C)C(=O)NC(C)(C)C(=O)N(C)C ZINC000566247857 326023449 /nfs/dbraw/zinc/02/34/49/326023449.db2.gz VNTUYAIOALVTHD-VIFPVBQESA-N 0 3 243.351 0.358 20 0 BCADHN C[C@H](N)C(=O)NCCOCC1CCC1 ZINC000566258895 326025626 /nfs/dbraw/zinc/02/56/26/326025626.db2.gz GVCBLKOVKIQKQR-QMMMGPOBSA-N 0 3 200.282 0.267 20 0 BCADHN C[C@@H](O)CN1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000566426121 326044914 /nfs/dbraw/zinc/04/49/14/326044914.db2.gz NSPHPTGGPJBUNP-KOLCDFICSA-N 0 3 240.347 0.604 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C(C)(C)CO)CCN1C ZINC000566445063 326048972 /nfs/dbraw/zinc/04/89/72/326048972.db2.gz NCUNJAZKMSEDJO-NXEZZACHSA-N 0 3 228.336 0.604 20 0 BCADHN CC1(C)CCN(CC(=O)N2CCCOC2)C1 ZINC000566462928 326051458 /nfs/dbraw/zinc/05/14/58/326051458.db2.gz YOLXZTRQUJZWJK-UHFFFAOYSA-N 0 3 226.320 0.925 20 0 BCADHN Cc1ncncc1[C@@H](C)NCCCOCCO ZINC000566473921 326053531 /nfs/dbraw/zinc/05/35/31/326053531.db2.gz FAYQSCHCTZIDHS-SNVBAGLBSA-N 0 3 239.319 0.835 20 0 BCADHN Cc1ccnc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000566490152 326057299 /nfs/dbraw/zinc/05/72/99/326057299.db2.gz GPCRRRREENXQQB-GHMZBOCLSA-N 0 3 246.314 0.138 20 0 BCADHN Cc1ccnc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000566490154 326057317 /nfs/dbraw/zinc/05/73/17/326057317.db2.gz GPCRRRREENXQQB-QWRGUYRKSA-N 0 3 246.314 0.138 20 0 BCADHN Cc1nc(CNCCCn2ccnn2)[nH]c1C ZINC000566496919 326058559 /nfs/dbraw/zinc/05/85/59/326058559.db2.gz PKSNVEVKSHXRKL-UHFFFAOYSA-N 0 3 234.307 0.798 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)CNC(C)C)n1 ZINC000566507940 326060228 /nfs/dbraw/zinc/06/02/28/326060228.db2.gz NJIHVMKDJAJUCV-SSDOTTSWSA-N 0 3 226.280 0.553 20 0 BCADHN NC(=O)CCNCc1ccc(OCCO)cc1 ZINC000566736848 326078431 /nfs/dbraw/zinc/07/84/31/326078431.db2.gz AIXNMJMBSLRACO-UHFFFAOYSA-N 0 3 238.287 0.023 20 0 BCADHN CC[C@H](NC[C@H](C)S(C)(=O)=O)[C@H](C)O ZINC000566914900 326093928 /nfs/dbraw/zinc/09/39/28/326093928.db2.gz DQBYQEIATIENLS-CIUDSAMLSA-N 0 3 223.338 0.169 20 0 BCADHN CO[C@H](CC(C)C)CN1CC[C@H](CO)[C@@H](O)C1 ZINC000567031616 326103785 /nfs/dbraw/zinc/10/37/85/326103785.db2.gz ZJKBOVCRLZEAOM-UPJWGTAASA-N 0 3 245.363 0.723 20 0 BCADHN CCOC[C@H](O)CN[C@@H](CO)CC(F)(F)F ZINC000567110653 326117696 /nfs/dbraw/zinc/11/76/96/326117696.db2.gz QZCULOKFSWOETQ-HTQZYQBOSA-N 0 3 245.241 0.287 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CO[C@H](C)C1)N(C)C ZINC000567051720 326106925 /nfs/dbraw/zinc/10/69/25/326106925.db2.gz YYKVRPMSULLAJJ-KXUCPTDWSA-N 0 3 214.309 0.620 20 0 BCADHN CC(C)OC[C@H](O)CN[C@H](C(N)=O)C(C)(C)C ZINC000153851007 326115483 /nfs/dbraw/zinc/11/54/83/326115483.db2.gz WTMDTNBPTSNDTP-NXEZZACHSA-N 0 3 246.351 0.262 20 0 BCADHN CCOC[C@@H](O)CN[C@@H](CO)CC(F)(F)F ZINC000567110655 326117643 /nfs/dbraw/zinc/11/76/43/326117643.db2.gz QZCULOKFSWOETQ-SFYZADRCSA-N 0 3 245.241 0.287 20 0 BCADHN CNCC(=O)N[C@H](CC(=O)NC)c1ccccc1 ZINC000567112421 326118135 /nfs/dbraw/zinc/11/81/35/326118135.db2.gz WVNKPCLQEYJDRA-LLVKDONJSA-N 0 3 249.314 0.199 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1CCCC(=O)N(C)C ZINC000567120821 326119530 /nfs/dbraw/zinc/11/95/30/326119530.db2.gz OAGLXCILKYYZPM-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN COCCN(CCO)CCN1CCC(C)CC1 ZINC000153991771 326124172 /nfs/dbraw/zinc/12/41/72/326124172.db2.gz MGULUBIOHMYNBK-UHFFFAOYSA-N 0 3 244.379 0.659 20 0 BCADHN CC[C@H](CNC[C@@H](C)S(C)(=O)=O)OC ZINC000567161907 326126726 /nfs/dbraw/zinc/12/67/26/326126726.db2.gz ZZIHCMGLZXLSBK-RKDXNWHRSA-N 0 3 223.338 0.434 20 0 BCADHN CCCC[C@@H](N)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000154396764 326142590 /nfs/dbraw/zinc/14/25/90/326142590.db2.gz WZCKWVKGGRPNCP-OUAUKWLOSA-N 0 3 227.352 0.713 20 0 BCADHN CCOC[C@H](O)CN[C@@H]1CCC[C@@H]1F ZINC000567228360 326146141 /nfs/dbraw/zinc/14/61/41/326146141.db2.gz QICKKNHDJPXVLD-KXUCPTDWSA-N 0 3 205.273 0.864 20 0 BCADHN Cc1cccnc1NC(=O)COC1CNC1 ZINC000567230445 326147000 /nfs/dbraw/zinc/14/70/00/326147000.db2.gz XOHQWMFQDIMDRQ-UHFFFAOYSA-N 0 3 221.260 0.317 20 0 BCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C1CC1 ZINC000154590174 326151602 /nfs/dbraw/zinc/15/16/02/326151602.db2.gz QCGAWDKLXSTEQE-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](C(=O)NCCCC(=O)N(C)C)N(C)C ZINC000163237659 326169672 /nfs/dbraw/zinc/16/96/72/326169672.db2.gz OWKFHDRMKPQRSS-JTQLQIEISA-N 0 3 243.351 0.311 20 0 BCADHN CNC(=O)CCCN(C)CCN1CCCC1=O ZINC000154945715 326174268 /nfs/dbraw/zinc/17/42/68/326174268.db2.gz SWSCZZDQYUBFRQ-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN COCCN(C)CCNCc1cnc(C)n1C ZINC000567407883 326185422 /nfs/dbraw/zinc/18/54/22/326185422.db2.gz NOHLCKVYIPQRJJ-UHFFFAOYSA-N 0 3 240.351 0.396 20 0 BCADHN CSC[C@H](O)CNCc1c[nH]nc1C ZINC000567678196 326243938 /nfs/dbraw/zinc/24/39/38/326243938.db2.gz MXKMFPQCKOUHDN-SECBINFHSA-N 0 3 215.322 0.532 20 0 BCADHN CC[C@@H](O)CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000567557950 326216387 /nfs/dbraw/zinc/21/63/87/326216387.db2.gz YHTGGMVAFKHTKG-NEPJUHHUSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@H](O)CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000567557952 326216627 /nfs/dbraw/zinc/21/66/27/326216627.db2.gz YHTGGMVAFKHTKG-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)NC(=O)NCCN1C[C@H](O)C[C@H](C)C1 ZINC000567584910 326223060 /nfs/dbraw/zinc/22/30/60/326223060.db2.gz FKGKYCUZQUODGI-WDEREUQCSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H](C(=O)N1CC(O)C1)N1CCCCCC1 ZINC000156484064 326234139 /nfs/dbraw/zinc/23/41/39/326234139.db2.gz DLZQLQYGJYRKHW-JTQLQIEISA-N 0 3 226.320 0.454 20 0 BCADHN CC1(C)[C@H](NC(=O)[C@@H]2C[C@@H]2N)[C@H]2CCCO[C@@H]21 ZINC000567660882 326240087 /nfs/dbraw/zinc/24/00/87/326240087.db2.gz FMCMHSYUMXHAMI-NZFPMDFQSA-N 0 3 238.331 0.653 20 0 BCADHN O=C1C[C@@H](N2CC[C@@H](C3CC3)C2)C(=O)N1 ZINC000567748159 326254821 /nfs/dbraw/zinc/25/48/21/326254821.db2.gz LVZJRLSDGOFQKW-RKDXNWHRSA-N 0 3 208.261 0.133 20 0 BCADHN CCn1cc(CN(C)C(=O)C(C)(C)N)cn1 ZINC000567796188 326259129 /nfs/dbraw/zinc/25/91/29/326259129.db2.gz IXQRNVQJODCCEL-UHFFFAOYSA-N 0 3 224.308 0.599 20 0 BCADHN C[C@H](O)C[C@H]1COCCN1CC1CCOCC1 ZINC000157183072 326260237 /nfs/dbraw/zinc/26/02/37/326260237.db2.gz FONOJWQHDDWBQI-AAEUAGOBSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@H](C(=O)N1CCCNCC1)C1CCOCC1 ZINC000567833949 326266191 /nfs/dbraw/zinc/26/61/91/326266191.db2.gz GKNPCEKJQDJPGD-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1cscn1 ZINC000567861319 326272437 /nfs/dbraw/zinc/27/24/37/326272437.db2.gz WQAOGVLOPPVFGQ-SSDOTTSWSA-N 0 3 249.361 0.549 20 0 BCADHN COC(=O)CCN(C)CCNC(=O)C(C)C ZINC000157421211 326273539 /nfs/dbraw/zinc/27/35/39/326273539.db2.gz JQPOEZKIKBTBON-UHFFFAOYSA-N 0 3 230.308 0.254 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCC(=O)C1 ZINC000567939015 326285752 /nfs/dbraw/zinc/28/57/52/326285752.db2.gz NXWUATNHIKZJPJ-SECBINFHSA-N 0 3 212.293 0.424 20 0 BCADHN CN(C)CCNC(=O)c1ccc2c(c1)N(C)CC2 ZINC000157432079 326274591 /nfs/dbraw/zinc/27/45/91/326274591.db2.gz BIQHHCIJIAKCSE-UHFFFAOYSA-N 0 3 247.342 0.970 20 0 BCADHN C[C@](O)(CN[C@H]1C[C@@H](O)C1)C(F)(F)F ZINC000567874698 326274856 /nfs/dbraw/zinc/27/48/56/326274856.db2.gz UGEHITHGYOROKU-XVMARJQXSA-N 0 3 213.199 0.413 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000567902840 326280157 /nfs/dbraw/zinc/28/01/57/326280157.db2.gz MUEYICOLASWMEL-GMTAPVOTSA-N 0 3 226.320 0.751 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000567902841 326280181 /nfs/dbraw/zinc/28/01/81/326280181.db2.gz MUEYICOLASWMEL-HBNTYKKESA-N 0 3 226.320 0.751 20 0 BCADHN CCN(Cc1ccncc1)C(=O)COC1CNC1 ZINC000567914119 326282549 /nfs/dbraw/zinc/28/25/49/326282549.db2.gz ZPGRVRPPOMHBCZ-UHFFFAOYSA-N 0 3 249.314 0.419 20 0 BCADHN CC(C)C(=O)NCCN(C)CCCCO ZINC000157722767 326292792 /nfs/dbraw/zinc/29/27/92/326292792.db2.gz YBTXTFXFANGFTP-UHFFFAOYSA-N 0 3 216.325 0.463 20 0 BCADHN CN(C)CCSCc1nncn1C ZINC000157841621 326297831 /nfs/dbraw/zinc/29/78/31/326297831.db2.gz FHNJHENATIZGAF-UHFFFAOYSA-N 0 3 200.311 0.610 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N[C@H]1CC=CCC1 ZINC000568101471 326307958 /nfs/dbraw/zinc/30/79/58/326307958.db2.gz AFDILULRCRCPRZ-RYUDHWBXSA-N 0 3 238.331 0.980 20 0 BCADHN NCC(F)(F)CC(=O)Nc1ncccc1O ZINC000568102508 326308420 /nfs/dbraw/zinc/30/84/20/326308420.db2.gz ZGCLOCGTTRUXLQ-UHFFFAOYSA-N 0 3 231.202 0.710 20 0 BCADHN CNC(=O)CCCN1CC[C@@](C)(F)C1 ZINC000568168205 326318639 /nfs/dbraw/zinc/31/86/39/326318639.db2.gz ZXIQVEVASNKNMS-SNVBAGLBSA-N 0 3 202.273 0.947 20 0 BCADHN OCC(CO)NCCc1cccc(F)c1F ZINC000568175048 326320099 /nfs/dbraw/zinc/32/00/99/326320099.db2.gz PJOSZSASFYEAAL-UHFFFAOYSA-N 0 3 231.242 0.450 20 0 BCADHN O=C1NCC[C@]12CCCN2CCOC1CCC1 ZINC000568177947 326320542 /nfs/dbraw/zinc/32/05/42/326320542.db2.gz CXSSGWAECNAICX-CYBMUJFWSA-N 0 3 238.331 0.910 20 0 BCADHN CNC(=O)CCCN1CCCO[C@H](CF)C1 ZINC000568180918 326321601 /nfs/dbraw/zinc/32/16/01/326321601.db2.gz GCSYMJWVMAHSHP-SNVBAGLBSA-N 0 3 232.299 0.573 20 0 BCADHN C[C@H]1CCN(CC(=O)NCc2ccn(C)c2)C1 ZINC000568197678 326324964 /nfs/dbraw/zinc/32/49/64/326324964.db2.gz GENSROQRVCKKBK-NSHDSACASA-N 0 3 235.331 0.983 20 0 BCADHN CCCC[C@@H](COC)NC(=O)[C@H](C)NC ZINC000568235705 326331379 /nfs/dbraw/zinc/33/13/79/326331379.db2.gz XMGWMHHYHIJFRL-UWVGGRQHSA-N 0 3 216.325 0.916 20 0 BCADHN Cn1cnc(NCC2=CCN(C)CC2)cc1=O ZINC000568250542 326335117 /nfs/dbraw/zinc/33/51/17/326335117.db2.gz SZJJHYVAHNRSJJ-UHFFFAOYSA-N 0 3 234.303 0.454 20 0 BCADHN c1[n-][nH]c2ncnc(=NCC[C@H]3CCC[NH2+]3)c1-2 ZINC000568374575 326351151 /nfs/dbraw/zinc/35/11/51/326351151.db2.gz MZOHRHAQIGERRP-MRVPVSSYSA-N 0 3 232.291 0.280 20 0 BCADHN Cc1cnc(CCNC[C@H](O)C(F)(F)F)nc1 ZINC000568384138 326352269 /nfs/dbraw/zinc/35/22/69/326352269.db2.gz YBJALJRJUBURGS-QMMMGPOBSA-N 0 3 249.236 0.840 20 0 BCADHN O=C1NCCC[C@@H]1NCc1ccc2[nH]cnc2c1 ZINC000568473544 326358439 /nfs/dbraw/zinc/35/84/39/326358439.db2.gz SRXBYUFVPILJCX-NSHDSACASA-N 0 3 244.298 0.931 20 0 BCADHN O=C1NCCC[C@@H]1NCc1ccc2nc[nH]c2c1 ZINC000568473544 326358441 /nfs/dbraw/zinc/35/84/41/326358441.db2.gz SRXBYUFVPILJCX-NSHDSACASA-N 0 3 244.298 0.931 20 0 BCADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(C)(C)CO ZINC000568650863 326371103 /nfs/dbraw/zinc/37/11/03/326371103.db2.gz ZHQSFNQEUIJVJA-NSHDSACASA-N 0 3 242.363 0.805 20 0 BCADHN O[C@@H]1COC[C@H]1N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000568722708 326373605 /nfs/dbraw/zinc/37/36/05/326373605.db2.gz VDYSOEUMHSLVSZ-GMTAPVOTSA-N 0 3 237.303 0.349 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000568747763 326373842 /nfs/dbraw/zinc/37/38/42/326373842.db2.gz MGPLAEDULRTXIL-MXWKQRLJSA-N 0 3 225.336 0.276 20 0 BCADHN CCOCC[C@H](O)CN[C@H](C)C(=O)N(C)CC ZINC000568742368 326374409 /nfs/dbraw/zinc/37/44/09/326374409.db2.gz OSBFONKHXWTBPV-MNOVXSKESA-N 0 3 246.351 0.230 20 0 BCADHN CCOCC[C@@H](O)CN[C@@H](C)C(=O)N(C)CC ZINC000568742370 326374481 /nfs/dbraw/zinc/37/44/81/326374481.db2.gz OSBFONKHXWTBPV-WDEREUQCSA-N 0 3 246.351 0.230 20 0 BCADHN CCOCC[C@H](O)CN[C@@H](C)C(=O)N(C)CC ZINC000568742369 326374553 /nfs/dbraw/zinc/37/45/53/326374553.db2.gz OSBFONKHXWTBPV-QWRGUYRKSA-N 0 3 246.351 0.230 20 0 BCADHN C[C@H]1CCN(CC(=O)NC(C)(C)CO)C1 ZINC000568764015 326376097 /nfs/dbraw/zinc/37/60/97/326376097.db2.gz FUENFNZRVWZEGJ-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN Cc1nc2ccc(NC(=O)C(C)(C)N)cn2n1 ZINC000568760225 326375489 /nfs/dbraw/zinc/37/54/89/326375489.db2.gz BRUXCVQNHRBUFC-UHFFFAOYSA-N 0 3 233.275 0.714 20 0 BCADHN CC(C)N(C)C(=O)N1CCN(C)C[C@H]1CN ZINC000568766506 326376423 /nfs/dbraw/zinc/37/64/23/326376423.db2.gz AKPVECRENKIBHP-SNVBAGLBSA-N 0 3 228.340 0.021 20 0 BCADHN CCO[C@@H]1C[C@@H]1N[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000568868728 326380187 /nfs/dbraw/zinc/38/01/87/326380187.db2.gz CMSQLSPCWPVUNP-QNWHQSFQSA-N 0 3 240.347 0.520 20 0 BCADHN COC1(CNC2CN(C(C)=O)C2)CCCC1 ZINC000568901018 326382410 /nfs/dbraw/zinc/38/24/10/326382410.db2.gz JXAKZJQUMAOJKK-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN NCC(=O)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000568988537 326383175 /nfs/dbraw/zinc/38/31/75/326383175.db2.gz WDEKFGYFIXHQBT-ZJUUUORDSA-N 0 3 212.293 0.363 20 0 BCADHN CN(CCCn1ccnc1)C(=O)C(C)(C)N ZINC000568982064 326384425 /nfs/dbraw/zinc/38/44/25/326384425.db2.gz DBDKLCQIYHNWCU-UHFFFAOYSA-N 0 3 224.308 0.469 20 0 BCADHN CCN1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000569067971 326388603 /nfs/dbraw/zinc/38/86/03/326388603.db2.gz PPBOHGDZHCDVAW-QWRGUYRKSA-N 0 3 217.309 0.352 20 0 BCADHN C[C@@H](N[C@@H]1CCO[C@H]1c1cnn(C)c1)[C@H](C)O ZINC000569214003 326395492 /nfs/dbraw/zinc/39/54/92/326395492.db2.gz KMJGTTAOLJWJMD-DMWPJOQESA-N 0 3 239.319 0.609 20 0 BCADHN CC(=O)N1CC(N[C@@H]2CCOC3(CCC3)C2)C1 ZINC000569238290 326397058 /nfs/dbraw/zinc/39/70/58/326397058.db2.gz MFUPDRNNFVGKEG-LLVKDONJSA-N 0 3 238.331 0.908 20 0 BCADHN NCC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000573093699 326429197 /nfs/dbraw/zinc/42/91/97/326429197.db2.gz RNCLMMKGXMDCBN-JTQLQIEISA-N 0 3 212.293 0.363 20 0 BCADHN NCC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000573093703 326429201 /nfs/dbraw/zinc/42/92/01/326429201.db2.gz RNCLMMKGXMDCBN-SNVBAGLBSA-N 0 3 212.293 0.363 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1CNc2ccccc2C1 ZINC000653204956 487974508 /nfs/dbraw/zinc/97/45/08/487974508.db2.gz KWYNPLSZPGTGCZ-SNVBAGLBSA-N 0 3 233.315 0.877 20 0 BCADHN N[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C1CCC1 ZINC000653204315 487974580 /nfs/dbraw/zinc/97/45/80/487974580.db2.gz SHXNWGQZRGLMBE-CHWFTXMASA-N 0 3 224.304 0.550 20 0 BCADHN CN(CCOCCO)[C@H]1COC(C)(C)C1 ZINC000396584974 487985462 /nfs/dbraw/zinc/98/54/62/487985462.db2.gz MREGANZPMWPRIL-SNVBAGLBSA-N 0 3 217.309 0.495 20 0 BCADHN CC(C)CCN(C)CC(=O)N1CCOCC1 ZINC000053064797 487986212 /nfs/dbraw/zinc/98/62/12/487986212.db2.gz OVFKGCJNSBFXAW-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN CCCN(C)CC(=O)N1CCN(CC)[C@@H](C)C1 ZINC000677183518 487985786 /nfs/dbraw/zinc/98/57/86/487985786.db2.gz VHZANHPEPMIWDH-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CCN1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC000677182840 487992713 /nfs/dbraw/zinc/99/27/13/487992713.db2.gz MKRDGFQRFDRVQQ-LBPRGKRZSA-N 0 3 241.379 0.879 20 0 BCADHN COC(=O)CCN(C)CC1(CO)CC1 ZINC000186792760 487993063 /nfs/dbraw/zinc/99/30/63/487993063.db2.gz GEBYKKZREXMCOE-UHFFFAOYSA-N 0 3 201.266 0.254 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@@H]1CCC(=O)N1 ZINC000309598612 487993941 /nfs/dbraw/zinc/99/39/41/487993941.db2.gz WYVNEVYGXAJSCP-CBAPKCEASA-N 0 3 222.292 0.647 20 0 BCADHN CCN1CCN(CCN2CCOCC2)C[C@@H]1C ZINC000677192002 487997037 /nfs/dbraw/zinc/99/70/37/487997037.db2.gz OXPQEFGXBAKOTD-ZDUSSCGKSA-N 0 3 241.379 0.345 20 0 BCADHN CC[C@H](C)NC(=O)Cn1cc([C@@H](N)CC)nn1 ZINC000229933644 487999482 /nfs/dbraw/zinc/99/94/82/487999482.db2.gz YYAPZOMVUFSELQ-IUCAKERBSA-N 0 3 239.323 0.603 20 0 BCADHN CC[C@@H](N)c1cn(CCn2ccnc2)nn1 ZINC000229933773 487999751 /nfs/dbraw/zinc/99/97/51/487999751.db2.gz GRRIGDAESGQOPA-SECBINFHSA-N 0 3 220.280 0.585 20 0 BCADHN CCc1noc(Cn2cc([C@@H](N)CC)nn2)n1 ZINC000229936545 487999672 /nfs/dbraw/zinc/99/96/72/487999672.db2.gz YDLBESUONTYNRL-ZETCQYMHSA-N 0 3 236.279 0.682 20 0 BCADHN CC[C@H](N)c1cn(Cc2cnn(C)c2)nn1 ZINC000229936536 487999706 /nfs/dbraw/zinc/99/97/06/487999706.db2.gz AFCOZMDMAHOBPX-VIFPVBQESA-N 0 3 220.280 0.470 20 0 BCADHN CC[C@@H](N)c1cn(CCCCCO)nn1 ZINC000229935931 488001642 /nfs/dbraw/zinc/00/16/42/488001642.db2.gz BWUSZVCAQFGSMH-SECBINFHSA-N 0 3 212.297 0.851 20 0 BCADHN CC[C@H](N)c1cn(C[C@@H]2CCCO2)nn1 ZINC000229935818 488001663 /nfs/dbraw/zinc/00/16/63/488001663.db2.gz VOSZOQCLKVROAA-IUCAKERBSA-N 0 3 210.281 0.867 20 0 BCADHN CC[C@H](N)c1cn(C[C@H]2CCCO2)nn1 ZINC000229935824 488001767 /nfs/dbraw/zinc/00/17/67/488001767.db2.gz VOSZOQCLKVROAA-BDAKNGLRSA-N 0 3 210.281 0.867 20 0 BCADHN CCN(C)S(=O)(=O)N[C@@H]1CCC[C@H]1N(C)C ZINC000682256597 488004594 /nfs/dbraw/zinc/00/45/94/488004594.db2.gz KKPXYXTVMGKNEX-NXEZZACHSA-N 0 3 249.380 0.255 20 0 BCADHN Cc1cnn(C)c1NC(=O)NC[C@H](C)N(C)C ZINC000667430528 488004943 /nfs/dbraw/zinc/00/49/43/488004943.db2.gz QWVVYOUWOZDSMB-VIFPVBQESA-N 0 3 239.323 0.800 20 0 BCADHN CC[C@@H](N)c1cn(CC(=O)NCC2CC2)nn1 ZINC000229942961 488005902 /nfs/dbraw/zinc/00/59/02/488005902.db2.gz PUYKERSZAWFAJE-SECBINFHSA-N 0 3 237.307 0.214 20 0 BCADHN CNCC(=O)N1CCC([C@H](C)CO)CC1 ZINC000653252819 488012676 /nfs/dbraw/zinc/01/26/76/488012676.db2.gz XXSOUKLVBGBBBF-SECBINFHSA-N 0 3 214.309 0.073 20 0 BCADHN CCN1OC[C@H](N2C[C@@H]3CCC[C@H]3C2)C1=O ZINC000682677861 488012939 /nfs/dbraw/zinc/01/29/39/488012939.db2.gz GEQXTRGMODCFEZ-DCAQKATOSA-N 0 3 224.304 0.881 20 0 BCADHN CN(C)c1ncc(CNCC(C)(C)CO)n1C ZINC000135080648 488013810 /nfs/dbraw/zinc/01/38/10/488013810.db2.gz ZXHKOXPDGHVFPF-UHFFFAOYSA-N 0 3 240.351 0.594 20 0 BCADHN CCC[C@@H](N)c1cn([C@@H](C)C(=O)N(C)C)nn1 ZINC000229962785 488013995 /nfs/dbraw/zinc/01/39/95/488013995.db2.gz JFRHBMYDYAICAR-DTWKUNHWSA-N 0 3 239.323 0.727 20 0 BCADHN CCC[C@@H](N)c1cn([C@H](C)C(=O)N(C)C)nn1 ZINC000229962799 488014060 /nfs/dbraw/zinc/01/40/60/488014060.db2.gz JFRHBMYDYAICAR-RKDXNWHRSA-N 0 3 239.323 0.727 20 0 BCADHN CCC[C@H](N)c1cn(Cc2nc(C)no2)nn1 ZINC000229967998 488016467 /nfs/dbraw/zinc/01/64/67/488016467.db2.gz OKLBOIIVZZJWHD-QMMMGPOBSA-N 0 3 236.279 0.818 20 0 BCADHN CC1(C)C[C@H](NC2COCCOC2)CO1 ZINC000396811384 488022770 /nfs/dbraw/zinc/02/27/70/488022770.db2.gz COCFXISSECDNNC-VIFPVBQESA-N 0 3 215.293 0.559 20 0 BCADHN C[C@H]1C[C@H](Nc2ccc(C#N)nn2)CCN1C ZINC000396979865 488026615 /nfs/dbraw/zinc/02/66/15/488026615.db2.gz UWKYEDVJALLPJC-VHSXEESVSA-N 0 3 231.303 1.243 20 0 BCADHN O[C@@H]1CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000667495287 488027378 /nfs/dbraw/zinc/02/73/78/488027378.db2.gz BQECNEBGFKKXEO-CYBMUJFWSA-N 0 3 244.298 0.834 20 0 BCADHN COCC[C@H](C)NC(=O)[C@@H]1NCC1(C)C ZINC000309660184 488027145 /nfs/dbraw/zinc/02/71/45/488027145.db2.gz XKSMSOADTXZGAA-IUCAKERBSA-N 0 3 214.309 0.526 20 0 BCADHN CCC[C@H](N)c1cn(Cc2nccn2C)nn1 ZINC000229972106 488027704 /nfs/dbraw/zinc/02/77/04/488027704.db2.gz QQBYJWBPRYUKLF-VIFPVBQESA-N 0 3 234.307 0.860 20 0 BCADHN CCC[C@@H](N)c1cn([C@@H](CC)C(N)=O)nn1 ZINC000229972760 488028586 /nfs/dbraw/zinc/02/85/86/488028586.db2.gz HCLSWJJYEUXGLW-APPZFPTMSA-N 0 3 225.296 0.514 20 0 BCADHN CCC[C@H](N)c1cn(CC[C@H](C)O)nn1 ZINC000229973056 488028329 /nfs/dbraw/zinc/02/83/29/488028329.db2.gz AKEAJZOLQZWVFQ-IUCAKERBSA-N 0 3 212.297 0.849 20 0 BCADHN CC[C@H](NC(=O)[C@@H](C)N)[C@@H]1CCCCO1 ZINC000655525365 488031101 /nfs/dbraw/zinc/03/11/01/488031101.db2.gz OHBHEBBJESMTGK-UTLUCORTSA-N 0 3 214.309 0.798 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](C)N)[C@H]1CCCCO1 ZINC000655525364 488031416 /nfs/dbraw/zinc/03/14/16/488031416.db2.gz OHBHEBBJESMTGK-OPRDCNLKSA-N 0 3 214.309 0.798 20 0 BCADHN C[C@@]1(C(N)=O)CCN(CCO[C@H]2CC2(F)F)C1 ZINC000660460838 488034770 /nfs/dbraw/zinc/03/47/70/488034770.db2.gz ITRGHBNVOKNQRJ-WCBMZHEXSA-N 0 3 248.273 0.608 20 0 BCADHN C[C@]1(C(N)=O)CCN(CCO[C@H]2CC2(F)F)C1 ZINC000660460839 488034906 /nfs/dbraw/zinc/03/49/06/488034906.db2.gz ITRGHBNVOKNQRJ-WPRPVWTQSA-N 0 3 248.273 0.608 20 0 BCADHN C[C@@H](O)CCCN1CCc2cn[nH]c2C1 ZINC000682768387 488035456 /nfs/dbraw/zinc/03/54/56/488035456.db2.gz ZLOCKNUWUQCSEM-SECBINFHSA-N 0 3 209.293 0.929 20 0 BCADHN CN(CCN(C)C1CC1)Cc1cn[nH]c1 ZINC000685462594 488039745 /nfs/dbraw/zinc/03/97/45/488039745.db2.gz BFHZDSUPONWSDJ-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN CCN(CCCO)C(=O)[C@H](C(C)C)N(C)C ZINC000677456656 488039942 /nfs/dbraw/zinc/03/99/42/488039942.db2.gz DFJLIZZROMCWKQ-NSHDSACASA-N 0 3 230.352 0.804 20 0 BCADHN C[C@@H](O)CN(C)CCO[C@H]1CC1(F)F ZINC000659952584 488042202 /nfs/dbraw/zinc/04/22/02/488042202.db2.gz JRTRRMKJUODCOZ-SFYZADRCSA-N 0 3 209.236 0.723 20 0 BCADHN CC(C)CN(C)C(=O)COC1(C)CNC1 ZINC000165829193 488044326 /nfs/dbraw/zinc/04/43/26/488044326.db2.gz VIFMZMDKHJACGB-UHFFFAOYSA-N 0 3 214.309 0.479 20 0 BCADHN CCCN(C)C(=O)COC1(C)CNC1 ZINC000165828944 488044443 /nfs/dbraw/zinc/04/44/43/488044443.db2.gz IGKSHHLIZCXFLY-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN C[C@@H]1CCC[C@@H]1NC(=O)COC1(C)CNC1 ZINC000165841367 488045160 /nfs/dbraw/zinc/04/51/60/488045160.db2.gz RUIWOQVOUFAULS-ZJUUUORDSA-N 0 3 226.320 0.670 20 0 BCADHN CN(CC(C)(C)C)C(=O)COC1(C)CNC1 ZINC000165835478 488045780 /nfs/dbraw/zinc/04/57/80/488045780.db2.gz GWLWBUCXXBVXJX-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000165837402 488046010 /nfs/dbraw/zinc/04/60/10/488046010.db2.gz FEBYOTZNIRIZRY-SECBINFHSA-N 0 3 212.293 0.233 20 0 BCADHN CC(C)O[C@@H]1CCCN(C(=O)CN)C1 ZINC000212807581 488048762 /nfs/dbraw/zinc/04/87/62/488048762.db2.gz NTQTVPHQUSRACN-SECBINFHSA-N 0 3 200.282 0.361 20 0 BCADHN NC[C@H](NC(=O)c1cnns1)C(F)(F)F ZINC000401707642 488049964 /nfs/dbraw/zinc/04/99/64/488049964.db2.gz CCIWORAIQZSVJP-BYPYZUCNSA-N 0 3 240.210 0.158 20 0 BCADHN NC[C@H](NC(=O)c1cnccn1)C(F)(F)F ZINC000401708893 488050204 /nfs/dbraw/zinc/05/02/04/488050204.db2.gz GTAUTTPDZGXJTD-LURJTMIESA-N 0 3 234.181 0.096 20 0 BCADHN NC[C@H](NC(=O)c1cscn1)C(F)(F)F ZINC000401711736 488051693 /nfs/dbraw/zinc/05/16/93/488051693.db2.gz FBEIJBAMSKLEBT-YFKPBYRVSA-N 0 3 239.222 0.763 20 0 BCADHN c1c(CNC2CC2)nnn1CCN1CCCC1 ZINC000052377442 488054819 /nfs/dbraw/zinc/05/48/19/488054819.db2.gz KIFKIDLRJIVDMS-UHFFFAOYSA-N 0 3 235.335 0.626 20 0 BCADHN CCOCCC(=O)N[C@@H](CN)C(F)(F)F ZINC000401722265 488056155 /nfs/dbraw/zinc/05/61/55/488056155.db2.gz JXALADWQUFVLCX-LURJTMIESA-N 0 3 228.214 0.419 20 0 BCADHN COCCN1CC[C@@H](Nc2ncc(C)cn2)C1 ZINC000677506295 488056316 /nfs/dbraw/zinc/05/63/16/488056316.db2.gz PBNNESNZMPFQQJ-LLVKDONJSA-N 0 3 236.319 0.918 20 0 BCADHN CO[C@]1(CO)CCCN([C@@H]2CCCOC2)C1 ZINC000401728908 488058028 /nfs/dbraw/zinc/05/80/28/488058028.db2.gz SLOXCWBMQKYLQT-VXGBXAGGSA-N 0 3 229.320 0.639 20 0 BCADHN Cc1cn[nH]c1CNCCN1CCCC1=O ZINC000651993716 488060898 /nfs/dbraw/zinc/06/08/98/488060898.db2.gz OTMYBOPMQCWUHC-UHFFFAOYSA-N 0 3 222.292 0.430 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000655451981 488061286 /nfs/dbraw/zinc/06/12/86/488061286.db2.gz RXCJPWISQDJHQH-QMMMGPOBSA-N 0 3 234.303 0.274 20 0 BCADHN NC[C@H](NC(=O)C1CCC1)C(F)(F)F ZINC000401746285 488061581 /nfs/dbraw/zinc/06/15/81/488061581.db2.gz VIPNMDXMDCFNEI-LURJTMIESA-N 0 3 210.199 0.792 20 0 BCADHN NC[C@H](NC(=O)CC1CC1)C(F)(F)F ZINC000401747979 488061678 /nfs/dbraw/zinc/06/16/78/488061678.db2.gz WCZXJBIKPHPRLN-LURJTMIESA-N 0 3 210.199 0.792 20 0 BCADHN NC[C@@H](NC(=O)C1CC=CC1)C(F)(F)F ZINC000401748431 488062139 /nfs/dbraw/zinc/06/21/39/488062139.db2.gz WHFXFWKNNAOJMV-SSDOTTSWSA-N 0 3 222.210 0.958 20 0 BCADHN COC[C@H]1CCN1C[C@]1(OC)CCOC1 ZINC000639207842 488069785 /nfs/dbraw/zinc/06/97/85/488069785.db2.gz ULLFUAWIGVBJSW-GHMZBOCLSA-N 0 3 215.293 0.513 20 0 BCADHN CCCCNC(=O)N[C@@H](CN)C(F)(F)F ZINC000401859181 488070562 /nfs/dbraw/zinc/07/05/62/488070562.db2.gz WVKJEYNMVCWINC-LURJTMIESA-N 0 3 227.230 0.975 20 0 BCADHN c1cnn(CCN2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000661138696 488071125 /nfs/dbraw/zinc/07/11/25/488071125.db2.gz CVUMAJZVPSOLMM-GFCCVEGCSA-N 0 3 246.318 0.497 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cnco2)CCN1C ZINC000677557165 488072948 /nfs/dbraw/zinc/07/29/48/488072948.db2.gz NPNALLGRNUKWKN-IUCAKERBSA-N 0 3 223.276 0.887 20 0 BCADHN Cc1nccn1CCNC(=O)C1(N(C)C)CC1 ZINC000667662553 488078418 /nfs/dbraw/zinc/07/84/18/488078418.db2.gz NGALKOATGXZRKT-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN CCCN1CC[C@H](Nc2nccn3cnnc23)C1 ZINC000389150611 488078794 /nfs/dbraw/zinc/07/87/94/488078794.db2.gz JHKMZTILEZVCAM-JTQLQIEISA-N 0 3 246.318 0.442 20 0 BCADHN COc1ccc(CN[C@H](CO)C2CCC2)nn1 ZINC000661151340 488079944 /nfs/dbraw/zinc/07/99/44/488079944.db2.gz ANWDYTQGGWABQY-LLVKDONJSA-N 0 3 237.303 0.736 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccc(O)cc1 ZINC000129340155 490074683 /nfs/dbraw/zinc/07/46/83/490074683.db2.gz BZBOWXBWXDUBBO-QMMMGPOBSA-N 0 3 208.261 0.746 20 0 BCADHN O=C(Cn1cc(C2CC2)cn1)N1CCCNCC1 ZINC000402101703 488082564 /nfs/dbraw/zinc/08/25/64/488082564.db2.gz WGUJAPIYMRDGDY-UHFFFAOYSA-N 0 3 248.330 0.582 20 0 BCADHN CC(C(=O)N1CCO[C@@H](C)[C@H]1C)S(C)(=O)=O ZINC000248146940 488084667 /nfs/dbraw/zinc/08/46/67/488084667.db2.gz QHVBBCJEZWQNSZ-VGMNWLOBSA-N 0 3 249.332 0.055 20 0 BCADHN CCN1CCC(NC(=O)CCCCO)CC1 ZINC000092174609 488085801 /nfs/dbraw/zinc/08/58/01/488085801.db2.gz WTZLDYCYKKKKPZ-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)CCCCO ZINC000092174793 488085842 /nfs/dbraw/zinc/08/58/42/488085842.db2.gz URGRAJAVAAJFOV-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN CCCN(CCN(C)C)C(=O)CCCCO ZINC000092175030 488085513 /nfs/dbraw/zinc/08/55/13/488085513.db2.gz RYXHMYIWHZAMQK-UHFFFAOYSA-N 0 3 230.352 0.949 20 0 BCADHN Cc1ncc(CN2CC[C@](C)(O)C2)n1C ZINC000667688196 488088227 /nfs/dbraw/zinc/08/82/27/488088227.db2.gz IPVDUAVIDNVQJJ-NSHDSACASA-N 0 3 209.293 0.685 20 0 BCADHN CCn1ccc(NC(=O)NC[C@@H](C)N(C)C)n1 ZINC000667692651 488089388 /nfs/dbraw/zinc/08/93/88/488089388.db2.gz NNBQXWWKQVAVLF-SECBINFHSA-N 0 3 239.323 0.975 20 0 BCADHN NC(=O)c1ccc(OC[C@@H]2CNCCO2)cc1 ZINC000080745159 488090090 /nfs/dbraw/zinc/09/00/90/488090090.db2.gz JNJCOXUXAKVLAM-NSHDSACASA-N 0 3 236.271 0.153 20 0 BCADHN c1ccc(-c2nnn(C[C@@H]3CNCCO3)n2)cc1 ZINC000080745077 488090247 /nfs/dbraw/zinc/09/02/47/488090247.db2.gz XIDPZVBYTBIDRC-NSHDSACASA-N 0 3 245.286 0.329 20 0 BCADHN CC(C)N(CCO)CC[C@@H]1CCS(=O)(=O)C1 ZINC000677679672 488091445 /nfs/dbraw/zinc/09/14/45/488091445.db2.gz UUNPSRMNGGWQPS-LLVKDONJSA-N 0 3 249.376 0.514 20 0 BCADHN C[C@@H]1CC(=O)NCCN1C[C@@H]1CCCOC1 ZINC000677714550 488097379 /nfs/dbraw/zinc/09/73/79/488097379.db2.gz DIGMORUOKLUBTL-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@H](N)C(=O)Nc1nncn1-c1ccccc1 ZINC000236958979 488098323 /nfs/dbraw/zinc/09/83/23/488098323.db2.gz LPRDUWKUWAAVBS-JTQLQIEISA-N 0 3 245.286 0.943 20 0 BCADHN COC[C@H]1CCCN1C(=O)CNC1CC1 ZINC000237079867 488100694 /nfs/dbraw/zinc/10/06/94/488100694.db2.gz MXJWNNDKBCVNIZ-SNVBAGLBSA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@H]1COC ZINC000237043005 488102216 /nfs/dbraw/zinc/10/22/16/488102216.db2.gz PLCPBRBUOFWXHS-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN CCO[C@@H]1CCN([C@@H](CC)C(N)=O)C[C@@H]1C ZINC000451539863 488102570 /nfs/dbraw/zinc/10/25/70/488102570.db2.gz KMFDJHLHNXPZPR-GARJFASQSA-N 0 3 228.336 0.997 20 0 BCADHN CCNC(=O)C1(CNCc2cn[nH]c2)CCC1 ZINC000683079698 488106331 /nfs/dbraw/zinc/10/63/31/488106331.db2.gz VTKCLPWEKDGFMO-UHFFFAOYSA-N 0 3 236.319 0.806 20 0 BCADHN FC(F)[C@@H]1CCN(CCn2cncn2)C1 ZINC000677730551 488108625 /nfs/dbraw/zinc/10/86/25/488108625.db2.gz LEARRKDKORHKQH-MRVPVSSYSA-N 0 3 216.235 0.865 20 0 BCADHN COC[C@@H]1CCCN1C(=O)CNC1CC1 ZINC000237180987 488109780 /nfs/dbraw/zinc/10/97/80/488109780.db2.gz MXJWNNDKBCVNIZ-JTQLQIEISA-N 0 3 212.293 0.376 20 0 BCADHN O[C@H](CN1CC[C@@H]2COC[C@@H]2C1)C(F)(F)F ZINC000662029789 488113474 /nfs/dbraw/zinc/11/34/74/488113474.db2.gz BOZUXVCFJOJANQ-HRDYMLBCSA-N 0 3 239.237 0.878 20 0 BCADHN O=C(NCCN[C@H]1CO[C@@H](C2CC2)C1)C1CC1 ZINC000667766329 488114795 /nfs/dbraw/zinc/11/47/95/488114795.db2.gz XCCAJUDHGBELEQ-VXGBXAGGSA-N 0 3 238.331 0.670 20 0 BCADHN CCCN1CC[C@@H](NCc2cn(C)nn2)C1 ZINC000389824806 488114799 /nfs/dbraw/zinc/11/47/99/488114799.db2.gz OZPQABFEIRYCNP-SNVBAGLBSA-N 0 3 223.324 0.389 20 0 BCADHN O=C1CCCN1[C@@H]1CCN([C@H]2CCCOC2)C1 ZINC000677738041 488116901 /nfs/dbraw/zinc/11/69/01/488116901.db2.gz BKSQDTLHTHSXEI-NEPJUHHUSA-N 0 3 238.331 0.862 20 0 BCADHN CCS(=O)(=O)C1(CNC2CC(OC)C2)CC1 ZINC000668694472 488124072 /nfs/dbraw/zinc/12/40/72/488124072.db2.gz AVEWHRQVCRPJLT-UHFFFAOYSA-N 0 3 247.360 0.721 20 0 BCADHN Cc1ncc(CNC2([C@H](C)O)CC2)cn1 ZINC000668695318 488124358 /nfs/dbraw/zinc/12/43/58/488124358.db2.gz FGUJEAUEGWRNGF-QMMMGPOBSA-N 0 3 207.277 0.788 20 0 BCADHN Cc1ncc(CNC2([C@@H](C)O)CC2)cn1 ZINC000668695315 488124789 /nfs/dbraw/zinc/12/47/89/488124789.db2.gz FGUJEAUEGWRNGF-MRVPVSSYSA-N 0 3 207.277 0.788 20 0 BCADHN C[C@@H](O)C1(NCc2cnc(N(C)C)nc2)CC1 ZINC000668697838 488126859 /nfs/dbraw/zinc/12/68/59/488126859.db2.gz MZEGATLELASNQH-SECBINFHSA-N 0 3 236.319 0.546 20 0 BCADHN CCn1cc(CNC2([C@H](C)O)CC2)cn1 ZINC000668697767 488127183 /nfs/dbraw/zinc/12/71/83/488127183.db2.gz LNUZWKVLEKWTMW-VIFPVBQESA-N 0 3 209.293 0.906 20 0 BCADHN C[C@@H](O)C1(NCc2cnc3cnccn23)CC1 ZINC000668697396 488127953 /nfs/dbraw/zinc/12/79/53/488127953.db2.gz FGYSZFOOSVHQIZ-SECBINFHSA-N 0 3 232.287 0.732 20 0 BCADHN CNCC(=O)NCc1csc(N(C)C)n1 ZINC000237243411 488128168 /nfs/dbraw/zinc/12/81/68/488128168.db2.gz TXXKGEKHZFHLSW-UHFFFAOYSA-N 0 3 228.321 0.045 20 0 BCADHN O=C1NCCC[C@@H]1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667821972 488128585 /nfs/dbraw/zinc/12/85/85/488128585.db2.gz SFSUCDSNFFDJRH-GARJFASQSA-N 0 3 224.304 0.422 20 0 BCADHN CCn1ccc(NC(=O)[C@H](N)C(C)C)n1 ZINC000300841285 487539674 /nfs/dbraw/zinc/53/96/74/487539674.db2.gz FIFYOESPAQKLCO-SECBINFHSA-N 0 3 210.281 0.825 20 0 BCADHN NCc1ccc(C(=O)NCCN2CCCC2)o1 ZINC000094565192 487541778 /nfs/dbraw/zinc/54/17/78/487541778.db2.gz CLSQZGAUCLCQJK-UHFFFAOYSA-N 0 3 237.303 0.564 20 0 BCADHN C([C@@H]1CCSC1)N1CCc2nn[nH]c2C1 ZINC000668791346 487544492 /nfs/dbraw/zinc/54/44/92/487544492.db2.gz IMMWVPHNEPADJI-QMMMGPOBSA-N 0 3 224.333 0.916 20 0 BCADHN C([C@@H]1CCSC1)N1CCc2n[nH]nc2C1 ZINC000668791346 487544496 /nfs/dbraw/zinc/54/44/96/487544496.db2.gz IMMWVPHNEPADJI-QMMMGPOBSA-N 0 3 224.333 0.916 20 0 BCADHN CC(=O)N[C@@H]1CCCN([C@H]2CCCOC2)C1 ZINC000674286014 487544833 /nfs/dbraw/zinc/54/48/33/487544833.db2.gz CBQAVCZIFGNLGI-NEPJUHHUSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)[C@H](N)c1cn(Cc2cnn(C)c2)nn1 ZINC000382666700 487548277 /nfs/dbraw/zinc/54/82/77/487548277.db2.gz KYEXGFVHDJERER-NSHDSACASA-N 0 3 234.307 0.716 20 0 BCADHN C[C@@H](CO)CN1CCN(C[C@@H](C)CO)[C@H](C)C1 ZINC000121306764 490081079 /nfs/dbraw/zinc/08/10/79/490081079.db2.gz YYSVNRDEOBXIAG-JHJVBQTASA-N 0 3 244.379 0.249 20 0 BCADHN Cc1nccn1CCNC(=O)[C@H](C)N(C)C ZINC000674288396 487549649 /nfs/dbraw/zinc/54/96/49/487549649.db2.gz ZMTYZKWSCGWHCQ-VIFPVBQESA-N 0 3 224.308 0.258 20 0 BCADHN C[C@@H](C(=O)N(C)[C@H]1CN2CCC1CC2)N(C)C ZINC000674289315 487550394 /nfs/dbraw/zinc/55/03/94/487550394.db2.gz DOHJSAQVZNWVIT-JQWIXIFHSA-N 0 3 239.363 0.489 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)[C@@H](O)C1CC1 ZINC000668797961 487555690 /nfs/dbraw/zinc/55/56/90/487555690.db2.gz HEZIOJHLOHVWMN-PWSUYJOCSA-N 0 3 240.347 0.558 20 0 BCADHN CC(C)NCC(=O)N(C)[C@@H]1CCOC1 ZINC000134689116 487531301 /nfs/dbraw/zinc/53/13/01/487531301.db2.gz PAFPSNPMAKSHMB-SECBINFHSA-N 0 3 200.282 0.232 20 0 BCADHN CS(=O)(=O)CCCN[C@H]1CO[C@H](C2CC2)C1 ZINC000667851485 488138332 /nfs/dbraw/zinc/13/83/32/488138332.db2.gz PLBAIZFSFQRFBH-MNOVXSKESA-N 0 3 247.360 0.578 20 0 BCADHN CCc1nc([C@@H](C)NC(=O)[C@H](C)N(C)C)n[nH]1 ZINC000677841381 488139293 /nfs/dbraw/zinc/13/92/93/488139293.db2.gz AGHAUWDPIJAYTM-SFYZADRCSA-N 0 3 239.323 0.494 20 0 BCADHN CCc1nnc([C@@H](C)NC(=O)[C@H](C)[NH+](C)C)[n-]1 ZINC000677841381 488139296 /nfs/dbraw/zinc/13/92/96/488139296.db2.gz AGHAUWDPIJAYTM-SFYZADRCSA-N 0 3 239.323 0.494 20 0 BCADHN CNC(=O)CN(C)CC[C@@H]1CCOC1 ZINC000668788353 487533528 /nfs/dbraw/zinc/53/35/28/487533528.db2.gz NHQTURINRMMQTO-SECBINFHSA-N 0 3 200.282 0.091 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000667861236 488140033 /nfs/dbraw/zinc/14/00/33/488140033.db2.gz LOYRIBVFURYWDI-FBIMIBRVSA-N 0 3 247.360 0.577 20 0 BCADHN CCN(CC)C(=O)C[C@@H](C)N[C@@H]1CCNC1=O ZINC000658054174 487533657 /nfs/dbraw/zinc/53/36/57/487533657.db2.gz OEJOINUGKUKFGK-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CN[C@@H](C)C(=O)N1CCCC(F)(F)C1 ZINC000405143800 487475929 /nfs/dbraw/zinc/47/59/29/487475929.db2.gz ZQHDGOXEFRPNSZ-ZETCQYMHSA-N 0 3 206.236 0.852 20 0 BCADHN Cc1ccc(NC(=O)COC2(C)CNC2)cn1 ZINC000161222017 487483208 /nfs/dbraw/zinc/48/32/08/487483208.db2.gz JUARSKQERIWJDB-UHFFFAOYSA-N 0 3 235.287 0.707 20 0 BCADHN CCNC(=O)CCC(=O)N1CCNC(C)(C)C1 ZINC000673911792 487478018 /nfs/dbraw/zinc/47/80/18/487478018.db2.gz BDLZDHPGMDCIKD-UHFFFAOYSA-N 0 3 241.335 0.113 20 0 BCADHN Cn1ccc(CN2CCOCC3(CC3)C2)cc1=O 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ZINC000405460957 487484878 /nfs/dbraw/zinc/48/48/78/487484878.db2.gz ISGGBADUFXERMV-WDEREUQCSA-N 0 3 219.288 0.337 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405400797 487484887 /nfs/dbraw/zinc/48/48/87/487484887.db2.gz PYEWJKMNEXWPMG-WRWGMCAJSA-N 0 3 238.331 0.310 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)[C@H]1CCCCN1 ZINC000086125343 487485060 /nfs/dbraw/zinc/48/50/60/487485060.db2.gz IEWOJMVZLFYDGQ-NXEZZACHSA-N 0 3 214.309 0.262 20 0 BCADHN CCCN1CC[C@@H](N[C@@H](C)CS(C)(=O)=O)C1 ZINC000393955280 487485380 /nfs/dbraw/zinc/48/53/80/487485380.db2.gz VQCKJWGRHCHMLK-WDEREUQCSA-N 0 3 248.392 0.493 20 0 BCADHN CCCN1CC[C@H](N[C@@H](C)CS(C)(=O)=O)C1 ZINC000393955276 487485400 /nfs/dbraw/zinc/48/54/00/487485400.db2.gz VQCKJWGRHCHMLK-QWRGUYRKSA-N 0 3 248.392 0.493 20 0 BCADHN CCCN1CC[C@H](NCc2ncc[nH]2)C1 ZINC000393957288 487486556 /nfs/dbraw/zinc/48/65/56/487486556.db2.gz YAUQNOXWLCCLSQ-JTQLQIEISA-N 0 3 208.309 0.984 20 0 BCADHN COCCCNC(=O)CN[C@@H]1CCC1(C)C ZINC000380801343 487486934 /nfs/dbraw/zinc/48/69/34/487486934.db2.gz HMVYFPLVXNDLTR-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN COCCNCC(=O)N(C)[C@H](C)C1CC1 ZINC000086157986 487486944 /nfs/dbraw/zinc/48/69/44/487486944.db2.gz MNYALMBUSXFKSB-SECBINFHSA-N 0 3 214.309 0.479 20 0 BCADHN CCCN(C)CC(=O)N1CC(F)(F)C1 ZINC000679918521 487487049 /nfs/dbraw/zinc/48/70/49/487487049.db2.gz VLYCJEMQIAQWIV-UHFFFAOYSA-N 0 3 206.236 0.806 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1CO[C@H](C)C1 ZINC000402369838 487490758 /nfs/dbraw/zinc/49/07/58/487490758.db2.gz XXNLWDWELYEERD-BDAKNGLRSA-N 0 3 200.282 0.278 20 0 BCADHN CN(c1nccn(C)c1=O)[C@H]1CCCN(C)C1 ZINC000673932296 487484556 /nfs/dbraw/zinc/48/45/56/487484556.db2.gz VEIMUESHLFDZPV-JTQLQIEISA-N 0 3 236.319 0.311 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccnc(OC)c1 ZINC000308799129 487494954 /nfs/dbraw/zinc/49/49/54/487494954.db2.gz DEXOCLFTLZMZMR-QMMMGPOBSA-N 0 3 209.249 0.766 20 0 BCADHN CCN1CCCN(C(=O)[C@@H](C)NC(C)=O)CC1 ZINC000133475725 487500741 /nfs/dbraw/zinc/50/07/41/487500741.db2.gz NKNMLYWIFKVYPF-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CO[C@H]1CCCN([C@@H](C)C(N)=O)CC1 ZINC000679951231 487501193 /nfs/dbraw/zinc/50/11/93/487501193.db2.gz ADYXZZBWDCDDPZ-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN C[C@H]1CCC[C@@H]1NCC(=O)Nc1ccon1 ZINC000381270507 487503268 /nfs/dbraw/zinc/50/32/68/487503268.db2.gz VJXMOYRZSPEUTP-IUCAKERBSA-N 0 3 223.276 0.813 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(Cc2ccc(N)nc2)C1 ZINC000161699713 487511262 /nfs/dbraw/zinc/51/12/62/487511262.db2.gz ZUXAKBUOJGHFQX-MWLCHTKSSA-N 0 3 221.304 0.867 20 0 BCADHN CN1CCN(CCO)[C@@H](Cc2ccccc2)C1 ZINC000149276979 487512710 /nfs/dbraw/zinc/51/27/10/487512710.db2.gz IFADTMXIMDJFCZ-AWEZNQCLSA-N 0 3 234.343 0.837 20 0 BCADHN Cc1cncc(CCNCc2ccnn2C)n1 ZINC000402665489 487508215 /nfs/dbraw/zinc/50/82/15/487508215.db2.gz QNXWJAZDKTVPLD-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)c1ncc[nH]1 ZINC000668234681 487509578 /nfs/dbraw/zinc/50/95/78/487509578.db2.gz QNWVMVAAJGQFGM-UHFFFAOYSA-N 0 3 236.319 0.824 20 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Cc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)c(=O)[nH]1 ZINC000408023325 487655845 /nfs/dbraw/zinc/65/58/45/487655845.db2.gz RNNOWKBDSPVQGM-SNVBAGLBSA-N 0 3 249.314 0.872 20 0 BCADHN CC[C@@H](O)CN1CCN(C(C)(C)CO)CC1 ZINC000675494952 487741792 /nfs/dbraw/zinc/74/17/92/487741792.db2.gz HKTCTZGHTCUIRA-LLVKDONJSA-N 0 3 230.352 0.146 20 0 BCADHN Cn1cccc1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000668598982 487987695 /nfs/dbraw/zinc/98/76/95/487987695.db2.gz PZDGQFRUUXHIBH-CMPLNLGQSA-N 0 3 206.289 0.982 20 0 BCADHN CN1CC[C@]2(CCN(c3cc(C#N)cnn3)C2)C1 ZINC000396934791 488020998 /nfs/dbraw/zinc/02/09/98/488020998.db2.gz COLLOKGSECKREP-ZDUSSCGKSA-N 0 3 243.314 0.880 20 0 BCADHN CCN(CCNC(=O)c1cnco1)C1CC1 ZINC000677537098 488067934 /nfs/dbraw/zinc/06/79/34/488067934.db2.gz KIZNLSKLXCISAE-UHFFFAOYSA-N 0 3 223.276 0.889 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N(C)Cc1cnccn1 ZINC000236690548 488081619 /nfs/dbraw/zinc/08/16/19/488081619.db2.gz JCKYKIWBMZIJLL-LLVKDONJSA-N 0 3 236.319 0.808 20 0 BCADHN CS(=O)(=O)CCCN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667851487 488138272 /nfs/dbraw/zinc/13/82/72/488138272.db2.gz PLBAIZFSFQRFBH-WDEREUQCSA-N 0 3 247.360 0.578 20 0 BCADHN CS(=O)(=O)CCCN[C@H]1CO[C@@H](C2CC2)C1 ZINC000667851484 488138327 /nfs/dbraw/zinc/13/83/27/488138327.db2.gz PLBAIZFSFQRFBH-GHMZBOCLSA-N 0 3 247.360 0.578 20 0 BCADHN C[C@H](CNC(=O)c1cnc2[nH]cnc2c1)N(C)C ZINC000677861672 488142416 /nfs/dbraw/zinc/14/24/16/488142416.db2.gz KZRSMYWZPDWCPK-MRVPVSSYSA-N 0 3 247.302 0.638 20 0 BCADHN COCC[C@H](C)N(C)CC(=O)N1CCCC1 ZINC000677879027 488144522 /nfs/dbraw/zinc/14/45/22/488144522.db2.gz VZMLRKASWJMFGV-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CN(C)CCN(C)C(=O)c1cnc2[nH]cnc2c1 ZINC000677904816 488153602 /nfs/dbraw/zinc/15/36/02/488153602.db2.gz MFOPUWPWNRULQD-UHFFFAOYSA-N 0 3 247.302 0.592 20 0 BCADHN C[C@@H]1COCC[C@@H]1NCC(=O)Nc1ccon1 ZINC000683372624 488153827 /nfs/dbraw/zinc/15/38/27/488153827.db2.gz YDOBDLYSDUFPSX-BDAKNGLRSA-N 0 3 239.275 0.628 20 0 BCADHN C[C@H]1COCC[C@H]1NCC(=O)Nc1ccon1 ZINC000683372625 488154029 /nfs/dbraw/zinc/15/40/29/488154029.db2.gz YDOBDLYSDUFPSX-DTWKUNHWSA-N 0 3 239.275 0.628 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)NC[C@H](C)O ZINC000683419608 488160420 /nfs/dbraw/zinc/16/04/20/488160420.db2.gz YUPSOUDDULFSSC-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN CCn1cc(CN[C@@H]2CCOC[C@H]2C)nn1 ZINC000404441738 488161190 /nfs/dbraw/zinc/16/11/90/488161190.db2.gz XNSFXJSBRJVSAZ-MWLCHTKSSA-N 0 3 224.308 0.813 20 0 BCADHN Cc1cn[nH]c1CN1CCC2(COC2)C1 ZINC000668719009 488161699 /nfs/dbraw/zinc/16/16/99/488161699.db2.gz LWKDEFBBSKCTEI-UHFFFAOYSA-N 0 3 207.277 0.940 20 0 BCADHN CCOCC[C@H](O)CN1CCN(CC)[C@@H](C)C1 ZINC000683435079 488161895 /nfs/dbraw/zinc/16/18/95/488161895.db2.gz ZBTRWBJYYRCPME-STQMWFEESA-N 0 3 244.379 0.800 20 0 BCADHN CN1CCC(C(=O)N(CCCO)C2CC2)CC1 ZINC000677938278 488161853 /nfs/dbraw/zinc/16/18/53/488161853.db2.gz ZTPYSOQXYQDYIN-UHFFFAOYSA-N 0 3 240.347 0.702 20 0 BCADHN CN(C)C1(CNc2nc3ccccn3n2)CC1 ZINC000397887759 488162243 /nfs/dbraw/zinc/16/22/43/488162243.db2.gz NMGUXSPCXGKOIS-UHFFFAOYSA-N 0 3 231.303 0.657 20 0 BCADHN Cc1n[nH]cc1CN1CCC2(COC2)C1 ZINC000668720531 488163098 /nfs/dbraw/zinc/16/30/98/488163098.db2.gz WONRZZGTXHXJQZ-UHFFFAOYSA-N 0 3 207.277 0.940 20 0 BCADHN CC(C(=O)N1CCC[C@@H]2C[C@@H]21)S(C)(=O)=O ZINC000672120964 488169658 /nfs/dbraw/zinc/16/96/58/488169658.db2.gz BYEKTEDWBBMZRE-HLTSFMKQSA-N 0 3 231.317 0.430 20 0 BCADHN OCCn1cc(CNC2CCCC2)nn1 ZINC000085418714 488169674 /nfs/dbraw/zinc/16/96/74/488169674.db2.gz QROAGSAAAIIETN-UHFFFAOYSA-N 0 3 210.281 0.303 20 0 BCADHN CO[C@@H](C)CNC(=O)C1(N)CCCC1 ZINC000223704357 488172907 /nfs/dbraw/zinc/17/29/07/488172907.db2.gz KAYUWFVBERCKCY-QMMMGPOBSA-N 0 3 200.282 0.409 20 0 BCADHN Cn1nccc1CC(=O)N[C@H]1CCCN(C)C1 ZINC000683480537 488172639 /nfs/dbraw/zinc/17/26/39/488172639.db2.gz ZNSQKEBOKDHHNC-JTQLQIEISA-N 0 3 236.319 0.173 20 0 BCADHN O=C1NCC[C@H]1CCN1CCCOCC1 ZINC000519420358 488173149 /nfs/dbraw/zinc/17/31/49/488173149.db2.gz CQNQZJRDYXETFN-JTQLQIEISA-N 0 3 212.293 0.235 20 0 BCADHN Cc1ncc(CNC2(CC(N)=O)CCC2)n1C ZINC000668002717 488181561 /nfs/dbraw/zinc/18/15/61/488181561.db2.gz ZXYNIUYZXPWYST-UHFFFAOYSA-N 0 3 236.319 0.616 20 0 BCADHN O=C([C@H](O)C1CC1)N1CC[C@H](N2CCCC2)C1 ZINC000668007871 488182966 /nfs/dbraw/zinc/18/29/66/488182966.db2.gz HRILKWSFJZRVCR-NWDGAFQWSA-N 0 3 238.331 0.454 20 0 BCADHN CN1CCN(CCn2ccccc2=O)C(C)(C)C1 ZINC000678047146 488184561 /nfs/dbraw/zinc/18/45/61/488184561.db2.gz GAICLJBMEFUGNS-UHFFFAOYSA-N 0 3 249.358 0.874 20 0 BCADHN COCCOCCN1CCC12CCOCC2 ZINC000683525167 488184929 /nfs/dbraw/zinc/18/49/29/488184929.db2.gz NNDXUBXLCOUXHI-UHFFFAOYSA-N 0 3 229.320 0.904 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)[C@@H](O)C1CC1 ZINC000668012816 488185984 /nfs/dbraw/zinc/18/59/84/488185984.db2.gz LFKIVDAPWXRFHB-MNOVXSKESA-N 0 3 226.320 0.310 20 0 BCADHN Cn1ccc(CNC[C@@H]2CCC(=O)N2)c1 ZINC000085604426 488188297 /nfs/dbraw/zinc/18/82/97/488188297.db2.gz VLVCGGZXPFQPEW-JTQLQIEISA-N 0 3 207.277 0.393 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000668022772 488188736 /nfs/dbraw/zinc/18/87/36/488188736.db2.gz PMLREDLNWPDRPJ-NNYUYHANSA-N 0 3 238.331 0.431 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)[C@@H](O)C2CC2)C1 ZINC000668022370 488188873 /nfs/dbraw/zinc/18/88/73/488188873.db2.gz DWCKFHJTUHTQJY-MNOVXSKESA-N 0 3 226.320 0.310 20 0 BCADHN COC[C@@H](OC)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000668022717 488188988 /nfs/dbraw/zinc/18/89/88/488188988.db2.gz NYUSQQFRGHNJOZ-WDEREUQCSA-N 0 3 244.335 0.200 20 0 BCADHN O=C(C[C@H]1CSCCN1)NCc1c[nH]cn1 ZINC000085614876 488190076 /nfs/dbraw/zinc/19/00/76/488190076.db2.gz OATJJLOGUSFYSA-QMMMGPOBSA-N 0 3 240.332 0.121 20 0 BCADHN Cc1cc(C(=O)NCCN2CCCC2)c(C)nn1 ZINC000678063847 488190276 /nfs/dbraw/zinc/19/02/76/488190276.db2.gz ZBYFPALUMYJYPE-UHFFFAOYSA-N 0 3 248.330 0.919 20 0 BCADHN O=C(C[C@H]1CSCCN1)Nc1cc[nH]n1 ZINC000085613868 488190334 /nfs/dbraw/zinc/19/03/34/488190334.db2.gz XKWSOTULHOCUFT-ZETCQYMHSA-N 0 3 226.305 0.443 20 0 BCADHN O=C1[C@H](N[C@@H]2CCCOC2)C[C@H]2CCCCN12 ZINC000453411159 488191626 /nfs/dbraw/zinc/19/16/26/488191626.db2.gz AHDCECHJBJNIDX-IJLUTSLNSA-N 0 3 238.331 0.908 20 0 BCADHN CNC(=O)C[C@H](C)NCc1ccc(CO)cc1 ZINC000322588938 488192433 /nfs/dbraw/zinc/19/24/33/488192433.db2.gz FUHKDKVZCGCGGX-JTQLQIEISA-N 0 3 236.315 0.793 20 0 BCADHN CO[C@@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000299901830 488194089 /nfs/dbraw/zinc/19/40/89/488194089.db2.gz BWJYYGZYJYYZQT-GHMZBOCLSA-N 0 3 214.309 0.086 20 0 BCADHN CC(C)C(=O)NCCN(C)[C@@H]1CCCOC1 ZINC000678087721 488194832 /nfs/dbraw/zinc/19/48/32/488194832.db2.gz YIFGOEGHIOBSHI-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H]1CCN(Cc2ccc(N)nc2)[C@H]1CO ZINC000299917727 488194876 /nfs/dbraw/zinc/19/48/76/488194876.db2.gz YGOJIKVSVBADLI-KOLCDFICSA-N 0 3 221.304 0.867 20 0 BCADHN CCC[C@@H](O)CC(=O)NCC1(N(C)C)CC1 ZINC000668051841 488195700 /nfs/dbraw/zinc/19/57/00/488195700.db2.gz LPLUSCZYIKWGHJ-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN Cc1nc(C(=O)NCC2(N(C)C)CC2)co1 ZINC000668052064 488195756 /nfs/dbraw/zinc/19/57/56/488195756.db2.gz NAVSTMOXLYZECZ-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN COC[C@H](CO)N[C@H]1CO[C@H](C2CC2)C1 ZINC000668095690 488202186 /nfs/dbraw/zinc/20/21/86/488202186.db2.gz OILCWXWBYAZNOC-VWYCJHECSA-N 0 3 215.293 0.151 20 0 BCADHN C[C@H](N[C@H]1CO[C@H](C2CC2)C1)C(=O)NCCF ZINC000668106023 488203912 /nfs/dbraw/zinc/20/39/12/488203912.db2.gz PDWATFKBYSMXFU-GDPRMGEGSA-N 0 3 244.310 0.618 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000054073221 488205682 /nfs/dbraw/zinc/20/56/82/488205682.db2.gz AUDAHOXIXKYDSU-VIFPVBQESA-N 0 3 249.314 0.935 20 0 BCADHN COC[C@H](C)NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000668164867 488212413 /nfs/dbraw/zinc/21/24/13/488212413.db2.gz DPEAZOSINWQHSI-UTLUCORTSA-N 0 3 229.324 0.413 20 0 BCADHN COC[C@H](C)NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000668164864 488212528 /nfs/dbraw/zinc/21/25/28/488212528.db2.gz DPEAZOSINWQHSI-GUBZILKMSA-N 0 3 229.324 0.413 20 0 BCADHN CN(C)C[C@@H]1CCCCN1C(=O)[C@@H](O)C1CC1 ZINC000668212735 488227613 /nfs/dbraw/zinc/22/76/13/488227613.db2.gz KZHSSRLXLAYBGK-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN CNS(=O)(=O)[C@H]1CCN(CC2(C)CC2)C1 ZINC000683831639 488229565 /nfs/dbraw/zinc/22/95/65/488229565.db2.gz FIEIVPXGEVJTOR-VIFPVBQESA-N 0 3 232.349 0.410 20 0 BCADHN Cn1nccc1CN1CCc2cn[nH]c2C1 ZINC000678276161 488235768 /nfs/dbraw/zinc/23/57/68/488235768.db2.gz ZVOYSQBTJVJOPK-UHFFFAOYSA-N 0 3 217.276 0.702 20 0 BCADHN CC[C@@H](CO)N1CCN(Cc2cn[nH]c2)CC1 ZINC000678283044 488237203 /nfs/dbraw/zinc/23/72/03/488237203.db2.gz WSFSQDUDMPNFCD-LBPRGKRZSA-N 0 3 238.335 0.298 20 0 BCADHN CC(C)N1CCN(Cc2cn(C)cn2)CC1 ZINC000683897283 488239460 /nfs/dbraw/zinc/23/94/60/488239460.db2.gz WXDKLSDCFXRGJC-UHFFFAOYSA-N 0 3 222.336 0.946 20 0 BCADHN Cc1ncc(C(=O)N2CCC3(CN(C)C3)C2)[nH]1 ZINC000683907690 488243058 /nfs/dbraw/zinc/24/30/58/488243058.db2.gz PNDPSCRFZQCTAO-UHFFFAOYSA-N 0 3 234.303 0.496 20 0 BCADHN c1cn(CC2CCN(Cc3cn[nH]c3)CC2)nn1 ZINC000678341869 488243435 /nfs/dbraw/zinc/24/34/35/488243435.db2.gz IEAQRQYYFDHUAT-UHFFFAOYSA-N 0 3 246.318 0.913 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000683914259 488243717 /nfs/dbraw/zinc/24/37/17/488243717.db2.gz UQMFTMLKHWVGLC-NTZNESFSSA-N 0 3 240.347 0.558 20 0 BCADHN O=C1C[C@H]([C@@H]2CCCCN2Cc2cn[nH]c2)CN1 ZINC000678344038 488244029 /nfs/dbraw/zinc/24/40/29/488244029.db2.gz UQFLTCGBZMBLRH-RYUDHWBXSA-N 0 3 248.330 0.900 20 0 BCADHN NC(=O)c1cncc(N[C@H]2CCN(C3CC3)C2)n1 ZINC000678393832 488250915 /nfs/dbraw/zinc/25/09/15/488250915.db2.gz MZMGZEHKDOJAHR-QMMMGPOBSA-N 0 3 247.302 0.224 20 0 BCADHN COCCN(C)CCNC(=O)N1CC(C)(C)C1 ZINC000683982428 488252335 /nfs/dbraw/zinc/25/23/35/488252335.db2.gz VZCCMBTUQQPOOH-UHFFFAOYSA-N 0 3 243.351 0.616 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccn(C)n1 ZINC000672516847 488258392 /nfs/dbraw/zinc/25/83/92/488258392.db2.gz OEZZYALBFGNQQI-QMMMGPOBSA-N 0 3 210.281 0.100 20 0 BCADHN CCC[C@@H](O)CC(=O)N[C@@H](C)CN(C)C ZINC000672517017 488258474 /nfs/dbraw/zinc/25/84/74/488258474.db2.gz HXGFMOVIPYDQFU-VHSXEESVSA-N 0 3 216.325 0.604 20 0 BCADHN C[C@@H](NCCc1nnnn1C)c1cccnc1 ZINC000678477652 488259415 /nfs/dbraw/zinc/25/94/15/488259415.db2.gz DCANQJNAIGJUCC-SECBINFHSA-N 0 3 232.291 0.498 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCC[C@H]1CCCO1 ZINC000672707713 488264160 /nfs/dbraw/zinc/26/41/60/488264160.db2.gz DDWZXFKTHPUGQY-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H](C(N)=O)N(C)CCN1CCCCC1 ZINC000678537284 488264762 /nfs/dbraw/zinc/26/47/62/488264762.db2.gz ZZSJWUZPRREZHG-SNVBAGLBSA-N 0 3 213.325 0.278 20 0 BCADHN Cn1cncc1CC(=O)N[C@@H]1CCCN(C)C1 ZINC000672770113 488265831 /nfs/dbraw/zinc/26/58/31/488265831.db2.gz YJTAXRZEEQFUQX-SNVBAGLBSA-N 0 3 236.319 0.173 20 0 BCADHN CN(C[C@H](O)C1CC1)[C@H]1CCCN(C)C1=O ZINC000679319793 488334536 /nfs/dbraw/zinc/33/45/36/488334536.db2.gz KZIRELCNSGTXAB-QWRGUYRKSA-N 0 3 226.320 0.310 20 0 BCADHN Cc1noc(C(=O)NC[C@@H](C)N(C)C2CC2)n1 ZINC000684191589 488273273 /nfs/dbraw/zinc/27/32/73/488273273.db2.gz AMXHXBCGFFJGCU-SSDOTTSWSA-N 0 3 238.291 0.591 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)NCCNc1ccncc1 ZINC000673078669 488273384 /nfs/dbraw/zinc/27/33/84/488273384.db2.gz FGUIVXPVEWRHEK-MWLCHTKSSA-N 0 3 234.303 0.623 20 0 BCADHN CN1CCC[C@@H](N2CC[C@@]3(CCOC3)C2)C1=O ZINC000679318128 488334841 /nfs/dbraw/zinc/33/48/41/488334841.db2.gz BQIYNYUNRIKSSZ-DGCLKSJQSA-N 0 3 238.331 0.720 20 0 BCADHN CN1CCC[C@H](N2CCC[C@H](CCO)C2)C1=O ZINC000679316788 488334869 /nfs/dbraw/zinc/33/48/69/488334869.db2.gz MTAHOKARXZZKIE-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H](CO)CN1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000684626799 488335128 /nfs/dbraw/zinc/33/51/28/488335128.db2.gz WJQKILROAATJBR-SDDRHHMPSA-N 0 3 229.320 0.495 20 0 BCADHN CCc1cc(N2CC(N(C)C)C2)ncn1 ZINC000678822750 488287914 /nfs/dbraw/zinc/28/79/14/488287914.db2.gz GVVQZYDIRUOVLT-UHFFFAOYSA-N 0 3 206.293 0.789 20 0 BCADHN CCCCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673511384 488292125 /nfs/dbraw/zinc/29/21/25/488292125.db2.gz QLTPXJZJKSQWBJ-NWDGAFQWSA-N 0 3 240.347 0.844 20 0 BCADHN Cc1nccc(C(=O)NCC2=CCN(C)CC2)n1 ZINC000678876444 488292177 /nfs/dbraw/zinc/29/21/77/488292177.db2.gz MFBVBDNYIGJHMV-UHFFFAOYSA-N 0 3 246.314 0.777 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)C[C@H]1C=CCC1 ZINC000673521444 488292726 /nfs/dbraw/zinc/29/27/26/488292726.db2.gz BSVIIVLZPGLNAP-QWRGUYRKSA-N 0 3 226.320 0.381 20 0 BCADHN Cn1ccc(C(=O)NCC2=CCN(C)CC2)n1 ZINC000678883464 488293164 /nfs/dbraw/zinc/29/31/64/488293164.db2.gz YOQWIPUENSVHIO-UHFFFAOYSA-N 0 3 234.303 0.412 20 0 BCADHN C[C@@H](C(=O)N[C@H](CO)CN1CCCC1)C1CC1 ZINC000673531332 488294346 /nfs/dbraw/zinc/29/43/46/488294346.db2.gz NKIWIWGHWXJRBW-PWSUYJOCSA-N 0 3 240.347 0.605 20 0 BCADHN O=C(N[C@H](CO)CN1CCCC1)C1CCCC1 ZINC000673529785 488294443 /nfs/dbraw/zinc/29/44/43/488294443.db2.gz CDRLKZUEAAFLGY-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN Cc1ccc(C(=O)N[C@H](CO)CN(C)C)s1 ZINC000673524487 488294506 /nfs/dbraw/zinc/29/45/06/488294506.db2.gz WCOVAJBTGFANAL-VIFPVBQESA-N 0 3 242.344 0.709 20 0 BCADHN O[C@H](COC[C@@H]1CCCO1)CN1CC=CCC1 ZINC000679323063 488336491 /nfs/dbraw/zinc/33/64/91/488336491.db2.gz HONDDVNNDPAYAP-STQMWFEESA-N 0 3 241.331 0.805 20 0 BCADHN CN1CCC(C(=O)Nc2cnoc2)CC1 ZINC000673653676 488300816 /nfs/dbraw/zinc/30/08/16/488300816.db2.gz RJPFILXPUANGCA-UHFFFAOYSA-N 0 3 209.249 0.955 20 0 BCADHN C[C@@H](CNC(=O)Cc1ccon1)N(C)C1CC1 ZINC000673658675 488300955 /nfs/dbraw/zinc/30/09/55/488300955.db2.gz YTFZRGREVXWRGY-VIFPVBQESA-N 0 3 237.303 0.816 20 0 BCADHN O=C(CCc1cnccn1)NCCN1CCCC1 ZINC000684365125 488301299 /nfs/dbraw/zinc/30/12/99/488301299.db2.gz XLRJMNIUFZHJCA-UHFFFAOYSA-N 0 3 248.330 0.621 20 0 BCADHN O=C(Cn1ccnc1)N[C@H]1CCN(CC2CC2)C1 ZINC000673667393 488302360 /nfs/dbraw/zinc/30/23/60/488302360.db2.gz XAUUUJYTTBGFES-LBPRGKRZSA-N 0 3 248.330 0.484 20 0 BCADHN CN(CCNC(=O)NCC1(CO)CC1)C1CC1 ZINC000673878213 488310606 /nfs/dbraw/zinc/31/06/06/488310606.db2.gz GGZHAFYPXMLOLV-UHFFFAOYSA-N 0 3 241.335 0.152 20 0 BCADHN C[C@@H]1NC(=O)N([C@@H]2CCN(CC3CC3)C2)C1=O ZINC000679138978 488312788 /nfs/dbraw/zinc/31/27/88/488312788.db2.gz IQAPHCDVCTYGBC-WCBMZHEXSA-N 0 3 237.303 0.411 20 0 BCADHN CC(C)(C)c1n[nH]cc1CNC[C@](C)(O)CO ZINC000684536712 488326774 /nfs/dbraw/zinc/32/67/74/488326774.db2.gz ROKOIGVXDJJKNO-LBPRGKRZSA-N 0 3 241.335 0.540 20 0 BCADHN OCCCOC1CCN(Cc2cnc[nH]2)CC1 ZINC000684618930 488333153 /nfs/dbraw/zinc/33/31/53/488333153.db2.gz YUHBMCBBDZXTDC-UHFFFAOYSA-N 0 3 239.319 0.773 20 0 BCADHN CCN(C[C@H]1CCOC1)[C@H]1CCCN(C)C1=O ZINC000679311696 488333849 /nfs/dbraw/zinc/33/38/49/488333849.db2.gz PCUKZGMSRVUVHJ-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCN1CCN(Cc2c[nH]cn2)C[C@H]1C ZINC000684619784 488333889 /nfs/dbraw/zinc/33/38/89/488333889.db2.gz OQXQJDMAOCVSAP-SNVBAGLBSA-N 0 3 208.309 0.936 20 0 BCADHN CCN1CCN(Cc2cnc[nH]2)C[C@H]1C ZINC000684619784 488333892 /nfs/dbraw/zinc/33/38/92/488333892.db2.gz OQXQJDMAOCVSAP-SNVBAGLBSA-N 0 3 208.309 0.936 20 0 BCADHN Cc1cc(C(=O)N2CCC3(CN(C)C3)C2)n[nH]1 ZINC000684816243 488345455 /nfs/dbraw/zinc/34/54/55/488345455.db2.gz WCYRXOSRHOSAIW-UHFFFAOYSA-N 0 3 234.303 0.496 20 0 BCADHN CC[C@H]1CN(C)CCCN1C(=O)CNC(C)=O ZINC000684826462 488347133 /nfs/dbraw/zinc/34/71/33/488347133.db2.gz XPNJNABFGVTURO-NSHDSACASA-N 0 3 241.335 0.065 20 0 BCADHN CCc1cc(NC(=O)NCCN(C)C)no1 ZINC000679431180 488351964 /nfs/dbraw/zinc/35/19/64/488351964.db2.gz OESLXLXILQLERG-UHFFFAOYSA-N 0 3 226.280 0.920 20 0 BCADHN COCC[C@H](CO)NCc1cnc2ccccn12 ZINC000684932492 488353661 /nfs/dbraw/zinc/35/36/61/488353661.db2.gz VRBLQPLUJRXUCS-LLVKDONJSA-N 0 3 249.314 0.821 20 0 BCADHN CCCCCN(CC(N)=O)C[C@H](C)CO ZINC000679537329 488356963 /nfs/dbraw/zinc/35/69/63/488356963.db2.gz BLRYCHFEPKEEAZ-JTQLQIEISA-N 0 3 216.325 0.592 20 0 BCADHN COC[C@H](O)CN1CCC[C@H](OC(F)F)C1 ZINC000679680705 488363489 /nfs/dbraw/zinc/36/34/89/488363489.db2.gz KLMNNWCVPYGVGX-BDAKNGLRSA-N 0 3 239.262 0.697 20 0 BCADHN C[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cn[nH]c1 ZINC000652259944 490176649 /nfs/dbraw/zinc/17/66/49/490176649.db2.gz ZYQISXBBADAKLC-ACLDMZEESA-N 0 3 208.265 0.324 20 0 BCADHN CC[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1ccn(C)n1 ZINC000652259894 490176705 /nfs/dbraw/zinc/17/67/05/490176705.db2.gz YXMHKHLXEQUBCK-AEJSXWLSSA-N 0 3 236.319 0.725 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C[C@H]3CCCO3)[C@H]2C1 ZINC000652323703 490187556 /nfs/dbraw/zinc/18/75/56/490187556.db2.gz NNIIFYPWUVVCAD-UTUOFQBUSA-N 0 3 238.331 0.718 20 0 BCADHN CNC(=O)CCNCc1c(C)nc2ccccn21 ZINC000044989677 490188237 /nfs/dbraw/zinc/18/82/37/490188237.db2.gz HNYOUIFOISRPBT-UHFFFAOYSA-N 0 3 246.314 0.868 20 0 BCADHN CC(C)NCC(=O)NCCCn1cccn1 ZINC000163860014 490198649 /nfs/dbraw/zinc/19/86/49/490198649.db2.gz FAJDHGYSELTLOI-UHFFFAOYSA-N 0 3 224.308 0.387 20 0 BCADHN O=C1NCC[C@H]1N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191975496 490210664 /nfs/dbraw/zinc/21/06/64/490210664.db2.gz JPQDNAKDCFBGHE-UPJWGTAASA-N 0 3 246.310 0.995 20 0 BCADHN C[C@@H](C(=O)NCCN(C)C1CC1)N(C)C ZINC000078695174 490217973 /nfs/dbraw/zinc/21/79/73/490217973.db2.gz ZUFIRHNXIKSCAJ-VIFPVBQESA-N 0 3 213.325 0.147 20 0 BCADHN C[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H](C)N1 ZINC000153564745 490256362 /nfs/dbraw/zinc/25/63/62/490256362.db2.gz ABAIQDBCGSEHTQ-IUCAKERBSA-N 0 3 222.292 0.161 20 0 BCADHN C[C@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H](C)N1 ZINC000153564745 490256370 /nfs/dbraw/zinc/25/63/70/490256370.db2.gz ABAIQDBCGSEHTQ-IUCAKERBSA-N 0 3 222.292 0.161 20 0 BCADHN CC(C)(O)CN1CCN(c2ccncc2)CC1 ZINC000071382172 490261965 /nfs/dbraw/zinc/26/19/65/490261965.db2.gz CSMYDAJPYGLZIX-UHFFFAOYSA-N 0 3 235.331 0.975 20 0 BCADHN CN1C[C@@H](NC[C@H](O)C(F)(F)F)CCC1=O ZINC000082756911 490301232 /nfs/dbraw/zinc/30/12/32/490301232.db2.gz ZOQOWLKATBZJHS-BQBZGAKWSA-N 0 3 240.225 0.120 20 0 BCADHN CC(C)NC(=O)[C@@H](C)N[C@@H]1CCCNC(=O)C1 ZINC000229001403 490318677 /nfs/dbraw/zinc/31/86/77/490318677.db2.gz XQUJEQSYTZPPMY-NXEZZACHSA-N 0 3 241.335 0.158 20 0 BCADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NCCC(C)(C)C ZINC000668505715 490339853 /nfs/dbraw/zinc/33/98/53/490339853.db2.gz CPAJYNGDDPSCDO-UWVGGRQHSA-N 0 3 249.376 0.824 20 0 BCADHN O=C(Cc1cscn1)N1CCCNCC1 ZINC000082238995 490340301 /nfs/dbraw/zinc/34/03/01/490340301.db2.gz LIHBFXCHUHPOKV-UHFFFAOYSA-N 0 3 225.317 0.508 20 0 BCADHN CC(C)(O)CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000124479412 490363382 /nfs/dbraw/zinc/36/33/82/490363382.db2.gz MFIOPNUKSKLVDR-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@@H](N)c1cn(-c2ccn(C)n2)nn1 ZINC000229930493 490366850 /nfs/dbraw/zinc/36/68/50/490366850.db2.gz GLPJUIVZCPPVDY-SSDOTTSWSA-N 0 3 206.253 0.411 20 0 BCADHN CC[C@H](N)c1cn(-c2cnn(C)c2)nn1 ZINC000229930441 490366864 /nfs/dbraw/zinc/36/68/64/490366864.db2.gz JJYDCVBKVNQPPG-QMMMGPOBSA-N 0 3 206.253 0.411 20 0 BCADHN CC[C@H](N)c1cn([C@@H](C)C(=O)N(C)C)nn1 ZINC000229937829 490367579 /nfs/dbraw/zinc/36/75/79/490367579.db2.gz CEBMXXCBBWZYDG-YUMQZZPRSA-N 0 3 225.296 0.337 20 0 BCADHN COc1ncncc1CN[C@H]1CC[C@@H](CO)C1 ZINC000648040063 490407268 /nfs/dbraw/zinc/40/72/68/490407268.db2.gz BBVPOILQPYPONV-KOLCDFICSA-N 0 3 237.303 0.736 20 0 BCADHN COC[C@@H](C)CNC(=O)CNC(C)C ZINC000041679472 490407945 /nfs/dbraw/zinc/40/79/45/490407945.db2.gz CCWRGQHUIKYYDB-VIFPVBQESA-N 0 3 202.298 0.383 20 0 BCADHN CN1CCC(C(=O)Nc2ccc[nH]c2=O)CC1 ZINC000073184867 490427083 /nfs/dbraw/zinc/42/70/83/490427083.db2.gz QEKDZESRYSRRQP-UHFFFAOYSA-N 0 3 235.287 0.655 20 0 BCADHN C[C@H](O)CCN(C)CCCCS(C)(=O)=O ZINC000305074142 490427798 /nfs/dbraw/zinc/42/77/98/490427798.db2.gz KKVNOEOHKYQBAG-JTQLQIEISA-N 0 3 237.365 0.514 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)NC1CC=CC1 ZINC000131008049 490466990 /nfs/dbraw/zinc/46/69/90/490466990.db2.gz VARXBQAJHNCNEC-LBPRGKRZSA-N 0 3 241.335 0.317 20 0 BCADHN CC(C)OCCN1CCN(C[C@H](C)CO)CC1 ZINC000121108334 490473653 /nfs/dbraw/zinc/47/36/53/490473653.db2.gz MMOLOIYKKFTKHD-ZDUSSCGKSA-N 0 3 244.379 0.657 20 0 BCADHN Nc1cccc(CN2CC[C@H](O)[C@H](CO)C2)c1 ZINC000396930002 490482620 /nfs/dbraw/zinc/48/26/20/490482620.db2.gz OINATMXCSHRSOF-AAEUAGOBSA-N 0 3 236.315 0.444 20 0 BCADHN C[C@H](NCc1ccn(C)c1)[C@@H]1CN(C)CCO1 ZINC000127012360 490533485 /nfs/dbraw/zinc/53/34/85/490533485.db2.gz FRIMHQSGNDHUFT-AAEUAGOBSA-N 0 3 237.347 0.834 20 0 BCADHN CC[C@H](O)CCNC(=O)CNC(C)C ZINC000218842017 490547229 /nfs/dbraw/zinc/54/72/29/490547229.db2.gz GMOYYWAGLOLLHC-VIFPVBQESA-N 0 3 202.298 0.262 20 0 BCADHN CC[C@@H](C(=O)NCC(C)(C)CO)N(C)C ZINC000127638051 490550934 /nfs/dbraw/zinc/55/09/34/490550934.db2.gz GODSKCGTJJXNKQ-VIFPVBQESA-N 0 3 216.325 0.461 20 0 BCADHN COC1(CO)CCN(CCOC(C)C)CC1 ZINC000401778305 490586695 /nfs/dbraw/zinc/58/66/95/490586695.db2.gz USGVQZWJERSNPK-UHFFFAOYSA-N 0 3 231.336 0.885 20 0 BCADHN CC(C)(CO)N1CCN(CCCF)CC1 ZINC000402580132 490602691 /nfs/dbraw/zinc/60/26/91/490602691.db2.gz JYBXDEIZZHZYIO-UHFFFAOYSA-N 0 3 218.316 0.735 20 0 BCADHN CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)N)C(C)C ZINC000594453304 491076841 /nfs/dbraw/zinc/07/68/41/491076841.db2.gz 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228.214 0.105 20 0 BCADHN CC(=O)N[C@H]1CCN([C@@H]2COC(C)(C)C2)C1 ZINC000660832692 491110314 /nfs/dbraw/zinc/11/03/14/491110314.db2.gz GWUCFOXXZBCAIJ-QWRGUYRKSA-N 0 3 226.320 0.764 20 0 BCADHN Cc1nc2ccccn2c1CNC[C@](C)(O)CO ZINC000090285529 491124325 /nfs/dbraw/zinc/12/43/25/491124325.db2.gz XEDYICKOJALPQG-ZDUSSCGKSA-N 0 3 249.314 0.476 20 0 BCADHN COC[C@H](C)N1CCc2nn(C)c(=O)cc2C1 ZINC000076074550 491125092 /nfs/dbraw/zinc/12/50/92/491125092.db2.gz GEZILLQDCMQKRY-VIFPVBQESA-N 0 3 237.303 0.173 20 0 BCADHN COCc1n[nH]c(CNC2CC(OC)C2)n1 ZINC000668509447 491126595 /nfs/dbraw/zinc/12/65/95/491126595.db2.gz FWEYFNSZTCUTHP-UHFFFAOYSA-N 0 3 226.280 0.218 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000226703395 491126896 /nfs/dbraw/zinc/12/68/96/491126896.db2.gz DUBDJVDLSVLWHY-UTLUCORTSA-N 0 3 214.309 0.653 20 0 BCADHN COc1nccnc1CN(C)CC1CN(C)C1 ZINC000668538502 491127236 /nfs/dbraw/zinc/12/72/36/491127236.db2.gz AYHQNOIYDQYKCJ-UHFFFAOYSA-N 0 3 236.319 0.479 20 0 BCADHN CN(Cc1cnc2n1CCC2)CC1CN(C)C1 ZINC000668539415 491127424 /nfs/dbraw/zinc/12/74/24/491127424.db2.gz VMWIAPXIZMFVPK-UHFFFAOYSA-N 0 3 234.347 0.823 20 0 BCADHN Cc1nocc1CN(C)CC1CN(C)C1 ZINC000668539350 491127502 /nfs/dbraw/zinc/12/75/02/491127502.db2.gz SVXXGEYKBZHROO-UHFFFAOYSA-N 0 3 209.293 0.976 20 0 BCADHN CC(C)=CCN(CCO)CCN1CCOCC1 ZINC000304913623 491128237 /nfs/dbraw/zinc/12/82/37/491128237.db2.gz SXDLYVUCTGHDDF-UHFFFAOYSA-N 0 3 242.363 0.579 20 0 BCADHN CC[C@H](C(=O)N1CCCOC[C@H]1C)N(C)C ZINC000665772818 491128536 /nfs/dbraw/zinc/12/85/36/491128536.db2.gz UPGDYDJYVRVQHT-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN COCC[C@H](C)N1CCN(CCO)[C@H](C)C1 ZINC000426469492 491131564 /nfs/dbraw/zinc/13/15/64/491131564.db2.gz QCWLWQGGVRZPEU-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN CCn1nc(C)c(CNC[C@](C)(O)CO)c1C ZINC000307964210 491134889 /nfs/dbraw/zinc/13/48/89/491134889.db2.gz AYKJRJLWWMPGFZ-LBPRGKRZSA-N 0 3 241.335 0.353 20 0 BCADHN COCCNCC(=O)N(C)Cc1ccsc1 ZINC000082285090 491142005 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/nfs/dbraw/zinc/73/26/92/533732692.db2.gz CTXAGVVSTCZYDS-NHCYSSNCSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1CCCC[C@@H]1O ZINC000512436588 533733352 /nfs/dbraw/zinc/73/33/52/533733352.db2.gz LLKKLASRMDKBKU-DCAQKATOSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@]1(C)CCO[C@@H]1C ZINC000512420703 533734086 /nfs/dbraw/zinc/73/40/86/533734086.db2.gz CTXAGVVSTCZYDS-HOSYDEDBSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H](C)C[S@](C)=O ZINC000501854870 533730676 /nfs/dbraw/zinc/73/06/76/533730676.db2.gz KXXUSAKDOPMCEH-BEPCFFQHSA-N 0 3 249.380 0.003 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)OC[C@H]1CCCO1 ZINC000495833842 533732355 /nfs/dbraw/zinc/73/23/55/533732355.db2.gz FKIRKORSXBNPPZ-VHSXEESVSA-N 0 3 230.308 0.842 20 0 BCADHN CSC[C@H](O)CN1CCN(C)[C@H](C(C)C)C1 ZINC000487982614 533794815 /nfs/dbraw/zinc/79/48/15/533794815.db2.gz RXDSIMVTTVCTTH-NEPJUHHUSA-N 0 3 246.420 0.982 20 0 BCADHN C[C@@H]1CCC[C@@]1(O)CNC(=O)/C=C\CN(C)C ZINC000493028561 533802848 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/nfs/dbraw/zinc/75/20/59/535752059.db2.gz PRAZZAVLFMLCMQ-HTAVTVPLSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1CC[C@@H](N(CCO)C[C@@H]2CNC(=O)O2)C1 ZINC000496703715 534176270 /nfs/dbraw/zinc/17/62/70/534176270.db2.gz UTROGWNSYAWXMG-MXWKQRLJSA-N 0 3 242.319 0.578 20 0 BCADHN C[C@H](NC(=O)/C=C\CN(C)C)[C@H]1CCOC1 ZINC000492640173 534191442 /nfs/dbraw/zinc/19/14/42/534191442.db2.gz CHGVRKBZYWRJAR-XXJOZFEBSA-N 0 3 226.320 0.645 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C1CCCC1 ZINC000153389211 535949689 /nfs/dbraw/zinc/94/96/89/535949689.db2.gz JGTPGPBQAJWXST-LBPRGKRZSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC[C@H](C)C[C@H](C)O ZINC000237042078 535953582 /nfs/dbraw/zinc/95/35/82/535953582.db2.gz GBCTVLYNBHUKEP-RCWTZXSCSA-N 0 3 230.352 0.883 20 0 BCADHN C[C@@H]1[C@H](CO)CCCN1C(=O)/C=C\CN(C)C ZINC000493825537 534254812 /nfs/dbraw/zinc/25/48/12/534254812.db2.gz QBIMUZVNURZICJ-OXTPZFROSA-N 0 3 240.347 0.724 20 0 BCADHN C[C@@H](Cn1cccn1)NC[C@@H]1CN(C)C(=O)O1 ZINC000495654860 534271103 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/nfs/dbraw/zinc/53/67/10/582536710.db2.gz RKZXYXACWKYARP-SECBINFHSA-N 0 3 200.282 0.361 20 0 BCADHN O=C(N[C@@H]1C=CCC1)[C@@H]1CN2CCN1CCC2 ZINC000855429653 588834740 /nfs/dbraw/zinc/83/47/40/588834740.db2.gz MUXOAOATBRMKNP-NEPJUHHUSA-N 0 3 235.331 0.211 20 0 BCADHN CN(C)CCn1ccc(C(=O)N[C@H]2C=CCC2)n1 ZINC000855435829 588836691 /nfs/dbraw/zinc/83/66/91/588836691.db2.gz OVAFWRMWIHHZAS-NSHDSACASA-N 0 3 248.330 0.893 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1COC[C@H]1C1CC1 ZINC000891065991 582606901 /nfs/dbraw/zinc/60/69/01/582606901.db2.gz VCPKGUCVBFSRKZ-RYUDHWBXSA-N 0 3 240.347 0.869 20 0 BCADHN CCN(CC)CC(=O)NCCOC(=O)N(C)C ZINC000855649566 588843610 /nfs/dbraw/zinc/84/36/10/588843610.db2.gz RVUVNOVFSKMGLU-UHFFFAOYSA-N 0 3 245.323 0.143 20 0 BCADHN O[C@H]1CCN([C@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000891639528 582704775 /nfs/dbraw/zinc/70/47/75/582704775.db2.gz HQTPHXDSVBABRC-AXFHLTTASA-N 0 3 245.294 0.687 20 0 BCADHN CN(Cc1nccs1)C[C@H]1CNCCO1 ZINC000126703430 582706644 /nfs/dbraw/zinc/70/66/44/582706644.db2.gz YZCHFDQLIJUMRN-SECBINFHSA-N 0 3 227.333 0.563 20 0 BCADHN C[C@H]1CC[C@@H](CNC(=S)NCCN(C)C)O1 ZINC000840842598 582735129 /nfs/dbraw/zinc/73/51/29/582735129.db2.gz XRDFRGOTFDQIEF-UWVGGRQHSA-N 0 3 245.392 0.580 20 0 BCADHN C[C@H](CN1CCCC1=O)Nc1ccncc1CO ZINC000891914259 582736955 /nfs/dbraw/zinc/73/69/55/582736955.db2.gz WNOIWIHJEAGFGV-SNVBAGLBSA-N 0 3 249.314 0.419 20 0 BCADHN CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000891948253 582742954 /nfs/dbraw/zinc/74/29/54/582742954.db2.gz PURGWWFCHSMMCW-WDEREUQCSA-N 0 3 241.335 0.247 20 0 BCADHN CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000891948251 582743211 /nfs/dbraw/zinc/74/32/11/582743211.db2.gz PURGWWFCHSMMCW-MNOVXSKESA-N 0 3 241.335 0.247 20 0 BCADHN CC[C@H](CO)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000779835014 582747056 /nfs/dbraw/zinc/74/70/56/582747056.db2.gz JLWORQXPTVGFNH-WDEREUQCSA-N 0 3 240.347 0.772 20 0 BCADHN COCCNCCNC(=O)N[C@@H](C)C(F)F ZINC000892054728 582777872 /nfs/dbraw/zinc/77/78/72/582777872.db2.gz GEKNIUUFDWKCBO-ZETCQYMHSA-N 0 3 239.266 0.175 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000892061744 582780123 /nfs/dbraw/zinc/78/01/23/582780123.db2.gz UWIAYVXUMMIOSH-KKOKHZNYSA-N 0 3 237.347 0.988 20 0 BCADHN OCc1cnccc1NC[C@H](O)C(F)(F)F ZINC000892081240 582787476 /nfs/dbraw/zinc/78/74/76/582787476.db2.gz WVCHTFNVDZQPGE-QMMMGPOBSA-N 0 3 236.193 0.331 20 0 BCADHN Cc1cc(N)nc(N[C@H](C)Cn2cncn2)n1 ZINC000892127144 582796629 /nfs/dbraw/zinc/79/66/29/582796629.db2.gz NGDPZCJCRJMOEZ-MRVPVSSYSA-N 0 3 233.279 0.459 20 0 BCADHN Cc1cc(N)nc(N[C@@H](C)Cn2cncn2)n1 ZINC000892127153 582796873 /nfs/dbraw/zinc/79/68/73/582796873.db2.gz NGDPZCJCRJMOEZ-QMMMGPOBSA-N 0 3 233.279 0.459 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)Nc1cnn(C)c1 ZINC000892310515 582835849 /nfs/dbraw/zinc/83/58/49/582835849.db2.gz JNLHVNFBJRMNTF-DTWKUNHWSA-N 0 3 237.307 0.634 20 0 BCADHN C[C@@H]1NCCN(C(=O)Nc2cnn(C)c2)[C@H]1C ZINC000892310517 582836076 /nfs/dbraw/zinc/83/60/76/582836076.db2.gz JNLHVNFBJRMNTF-IUCAKERBSA-N 0 3 237.307 0.634 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC000889137050 582837943 /nfs/dbraw/zinc/83/79/43/582837943.db2.gz UOXBGFNSTXZSCK-WRWGMCAJSA-N 0 3 240.347 0.841 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C1 ZINC000856073306 588859584 /nfs/dbraw/zinc/85/95/84/588859584.db2.gz NJIXBTMAQCNPMJ-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN OCCOCCNCc1cn2ccnc2s1 ZINC000892432558 582886712 /nfs/dbraw/zinc/88/67/12/582886712.db2.gz QTSIIMZQTSPLSK-UHFFFAOYSA-N 0 3 241.316 0.494 20 0 BCADHN Cc1cc(N)nc(NC[C@](C)(O)C2CC2)n1 ZINC000892481798 582896479 /nfs/dbraw/zinc/89/64/79/582896479.db2.gz QNITWQPXVYDNDB-NSHDSACASA-N 0 3 222.292 0.940 20 0 BCADHN COc1ccc(CNCCCNC(C)=O)o1 ZINC000892506557 582900474 /nfs/dbraw/zinc/90/04/74/582900474.db2.gz HNKVLXTZLHCROW-UHFFFAOYSA-N 0 3 226.276 0.904 20 0 BCADHN c1cc2n(n1)C[C@H](CN1CCSCC1)CN2 ZINC000393786417 582924438 /nfs/dbraw/zinc/92/44/38/582924438.db2.gz YELOEBIBABQYNK-JTQLQIEISA-N 0 3 238.360 0.974 20 0 BCADHN CS[C@@H](CO)[C@@H](C)Nc1ccncc1CO ZINC000892628368 582933528 /nfs/dbraw/zinc/93/35/28/582933528.db2.gz KSPUGROKBVHTEN-KCJUWKMLSA-N 0 3 242.344 0.520 20 0 BCADHN C[C@H]1C[C@@H](Nc2cnc(CO)cn2)CCN1C ZINC000892673705 582948324 /nfs/dbraw/zinc/94/83/24/582948324.db2.gz OFRJSHCIWDLXSM-UWVGGRQHSA-N 0 3 236.319 0.864 20 0 BCADHN CCn1cc(CNCCCC(=O)NC)c(C)n1 ZINC000892703622 582961169 /nfs/dbraw/zinc/96/11/69/582961169.db2.gz CBDBBHKQOUEWBC-UHFFFAOYSA-N 0 3 238.335 0.827 20 0 BCADHN OCc1cnccc1N[C@@H]1CCSC1 ZINC000892705656 582961597 /nfs/dbraw/zinc/96/15/97/582961597.db2.gz VSOACTIVPIBGHR-SECBINFHSA-N 0 3 210.302 0.913 20 0 BCADHN C[C@@]1(O)CCN(C[C@H](O)c2ccccn2)C1 ZINC000851800995 582968299 /nfs/dbraw/zinc/96/82/99/582968299.db2.gz XVQWFAYSPPDRCZ-NWDGAFQWSA-N 0 3 222.288 0.572 20 0 BCADHN CCN(CC)C(=O)CN[C@@H](C)COCCOC ZINC000892721338 582968506 /nfs/dbraw/zinc/96/85/06/582968506.db2.gz KTDZPGHXJIRBPY-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN C[C@@]1(O)CCCN(C[C@@H](O)c2ccccn2)C1 ZINC000851887024 582975939 /nfs/dbraw/zinc/97/59/39/582975939.db2.gz UAQZUYPVLZHTEG-CHWSQXEVSA-N 0 3 236.315 0.962 20 0 BCADHN C[C@]1(O)CCCN(C[C@@H](O)c2ccccn2)C1 ZINC000851887025 582976233 /nfs/dbraw/zinc/97/62/33/582976233.db2.gz UAQZUYPVLZHTEG-OLZOCXBDSA-N 0 3 236.315 0.962 20 0 BCADHN Cn1cncc1C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892773103 582979547 /nfs/dbraw/zinc/97/95/47/582979547.db2.gz BBQHPDMXCZRNET-ZDUSSCGKSA-N 0 3 248.330 0.634 20 0 BCADHN CCc1nc([C@H](C)N[C@H](CO)C2CC2)n[nH]1 ZINC000851933654 582980455 /nfs/dbraw/zinc/98/04/55/582980455.db2.gz STYSKQSYCVZKFL-IONNQARKSA-N 0 3 224.308 0.789 20 0 BCADHN OCc1cnccc1NCC1(CO)CC1 ZINC000892779901 582980925 /nfs/dbraw/zinc/98/09/25/582980925.db2.gz WTJSVAORLVHLGO-UHFFFAOYSA-N 0 3 208.261 0.180 20 0 BCADHN Cc1cc(N)nc(NC[C@]2(O)CCSC2)n1 ZINC000892784510 582981775 /nfs/dbraw/zinc/98/17/75/582981775.db2.gz HQLKPOWTHZXXSC-SNVBAGLBSA-N 0 3 240.332 0.647 20 0 BCADHN Cn1nccc1C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892787141 582983023 /nfs/dbraw/zinc/98/30/23/582983023.db2.gz YVKVNYRNIBWTGZ-CYBMUJFWSA-N 0 3 248.330 0.634 20 0 BCADHN CCOC(=O)[C@@H](C)CNc1ccncc1CO ZINC000892845767 582995690 /nfs/dbraw/zinc/99/56/90/582995690.db2.gz DVKYJDXTNJSGFD-VIFPVBQESA-N 0 3 238.287 0.607 20 0 BCADHN CN(C)C1(C(=O)N[C@H]2C[C@H](O)C2)CCC1 ZINC000856394423 588871229 /nfs/dbraw/zinc/87/12/29/588871229.db2.gz LKFBNWIEEWYZGD-KYZUINATSA-N 0 3 212.293 0.110 20 0 BCADHN C[C@@H]1C[C@H](O)CN(C[C@H](O)c2ccccn2)C1 ZINC000852149332 583007729 /nfs/dbraw/zinc/00/77/29/583007729.db2.gz GWSIKLQGHSJVFN-MDZLAQPJSA-N 0 3 236.315 0.818 20 0 BCADHN O[C@@H]1C[C@H](NCc2c[nH]cn2)C12CCC2 ZINC000852583353 583015426 /nfs/dbraw/zinc/01/54/26/583015426.db2.gz UWSOEXSBLZAGOE-VHSXEESVSA-N 0 3 207.277 0.803 20 0 BCADHN O[C@@H]1C[C@H](NCc2cnc[nH]2)C12CCC2 ZINC000852583353 583015428 /nfs/dbraw/zinc/01/54/28/583015428.db2.gz UWSOEXSBLZAGOE-VHSXEESVSA-N 0 3 207.277 0.803 20 0 BCADHN CC[C@@H]1CN(C(=O)c2ncccn2)C[C@H](C)N1 ZINC000856409477 588872164 /nfs/dbraw/zinc/87/21/64/588872164.db2.gz SLMBHZZIXWMOLU-VHSXEESVSA-N 0 3 234.303 0.689 20 0 BCADHN Cc1cnn(C)c1CNCCCn1cncn1 ZINC000394841592 583016855 /nfs/dbraw/zinc/01/68/55/583016855.db2.gz VPRWRGINYJCJCG-UHFFFAOYSA-N 0 3 234.307 0.500 20 0 BCADHN CCn1cc(CNCC[S@@](C)=O)c(C)n1 ZINC000893004347 583028514 /nfs/dbraw/zinc/02/85/14/583028514.db2.gz HSAKJLWMMXWIOU-OAHLLOKOSA-N 0 3 229.349 0.680 20 0 BCADHN Cc1cc(F)ncc1CNCC[S@@](C)=O ZINC000893003952 583028578 /nfs/dbraw/zinc/02/85/78/583028578.db2.gz CEFCCHUNUCWZFB-OAHLLOKOSA-N 0 3 230.308 0.997 20 0 BCADHN CCn1cc(CN[C@@H]2CCc3n[nH]cc3C2)nn1 ZINC000893007873 583029063 /nfs/dbraw/zinc/02/90/63/583029063.db2.gz GGEIJTCAGMTWHS-SNVBAGLBSA-N 0 3 246.318 0.668 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H]1CCC(=O)N(C)C1 ZINC000893009157 583029536 /nfs/dbraw/zinc/02/95/36/583029536.db2.gz QKGNJFBBLNAIJK-WCBMZHEXSA-N 0 3 228.292 0.148 20 0 BCADHN Cc1nccnc1CN[C@H](CO)C1CC1 ZINC000856770993 588876867 /nfs/dbraw/zinc/87/68/67/588876867.db2.gz VFITVKAAKMZONF-LLVKDONJSA-N 0 3 207.277 0.646 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)C2=COCCO2)CCN1 ZINC000856483457 588873616 /nfs/dbraw/zinc/87/36/16/588873616.db2.gz HWKSBOGBEJCKGT-JTQLQIEISA-N 0 3 240.303 0.331 20 0 BCADHN c1c[nH]c(N2CCN(CC3CC3)CC2)n1 ZINC000395120805 583041974 /nfs/dbraw/zinc/04/19/74/583041974.db2.gz GMRMEQYKJQULRM-UHFFFAOYSA-N 0 3 206.293 0.942 20 0 BCADHN C[C@H]1CN(c2cc(=O)[nH]cn2)[C@@H](C)CN1C ZINC000893080856 583044527 /nfs/dbraw/zinc/04/45/27/583044527.db2.gz STUWTKYIXXNRNK-IUCAKERBSA-N 0 3 222.292 0.711 20 0 BCADHN C[C@@H]1C[C@@H](Nc2ccncc2CO)CCO1 ZINC000893087224 583046080 /nfs/dbraw/zinc/04/60/80/583046080.db2.gz AHIFJECFDUWKQQ-KOLCDFICSA-N 0 3 222.288 0.975 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)[C@H]1CCC(=O)O1 ZINC000866883715 583049893 /nfs/dbraw/zinc/04/98/93/583049893.db2.gz ZXTRKMUHPOLCLV-SNVBAGLBSA-N 0 3 242.319 0.491 20 0 BCADHN Cc1cc(N)nc(NCCCOCCO)n1 ZINC000893110785 583050986 /nfs/dbraw/zinc/05/09/86/583050986.db2.gz PNDGZKIPIKRIDU-UHFFFAOYSA-N 0 3 226.280 0.178 20 0 BCADHN C[C@@H](O)CCN[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893113422 583051585 /nfs/dbraw/zinc/05/15/85/583051585.db2.gz ZAVUIWZUSPRLSN-VWYCJHECSA-N 0 3 247.310 0.981 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H](C)CC[S@](C)=O ZINC000893118569 583052329 /nfs/dbraw/zinc/05/23/29/583052329.db2.gz GHRUUCMXFUIJGM-OLBFVZFUSA-N 0 3 235.349 0.685 20 0 BCADHN OCc1cnccc1N1CCN2CCOC[C@H]2C1 ZINC000893160930 583060311 /nfs/dbraw/zinc/06/03/11/583060311.db2.gz YWIVEOKMJREFPF-GFCCVEGCSA-N 0 3 249.314 0.095 20 0 BCADHN OCCN[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893323526 583100878 /nfs/dbraw/zinc/10/08/78/583100878.db2.gz FOXBNHWWDJZUDK-DTWKUNHWSA-N 0 3 219.256 0.202 20 0 BCADHN Cc1cc(N)nc(NCC(F)(F)CO)n1 ZINC000893214031 583072273 /nfs/dbraw/zinc/07/22/73/583072273.db2.gz MOXHPBGIYIBLIC-UHFFFAOYSA-N 0 3 218.207 0.407 20 0 BCADHN COC[C@H](O)CCNCc1ccc(OC)o1 ZINC000893256205 583079273 /nfs/dbraw/zinc/07/92/73/583079273.db2.gz FGEAWPZXSZYRRX-SECBINFHSA-N 0 3 229.276 0.775 20 0 BCADHN OCc1cnccc1N[C@@H]1CCn2ccnc2C1 ZINC000893264403 583080640 /nfs/dbraw/zinc/08/06/40/583080640.db2.gz CTXLTQQPWJMKQS-LLVKDONJSA-N 0 3 244.298 0.619 20 0 BCADHN CC(C)N(C)CC(=O)NCCOC(=O)N(C)C ZINC000855649787 583109000 /nfs/dbraw/zinc/10/90/00/583109000.db2.gz AAQIPSSATNTNHL-UHFFFAOYSA-N 0 3 245.323 0.141 20 0 BCADHN C[C@H]1CCN(CC2OCCO2)C[C@H]1CO ZINC000856796640 588878248 /nfs/dbraw/zinc/87/82/48/588878248.db2.gz XIEMCNBMKJLUCD-UWVGGRQHSA-N 0 3 215.293 0.310 20 0 BCADHN C[C@@H]1NC(=O)N([C@H]2CCCN(C)C2)C1=O ZINC000777619768 583137830 /nfs/dbraw/zinc/13/78/30/583137830.db2.gz MEAJUIWWVIWPHN-YUMQZZPRSA-N 0 3 211.265 0.021 20 0 BCADHN CCNC(=O)CN1CCN([C@@H](C)C2CC2)CC1 ZINC000777659089 583138377 /nfs/dbraw/zinc/13/83/77/583138377.db2.gz IBCUJCXZNLVNMF-NSHDSACASA-N 0 3 239.363 0.539 20 0 BCADHN CCc1ncc(CN[C@H]2C[C@@H](C(N)=O)C2)cn1 ZINC000651938204 583150635 /nfs/dbraw/zinc/15/06/35/583150635.db2.gz PCTSMPFECYXJCH-AOOOYVTPSA-N 0 3 234.303 0.393 20 0 BCADHN CCO[C@@H]1C[C@@H](NC[C@H](COC)OC)[C@H]1OC ZINC000893485264 583152759 /nfs/dbraw/zinc/15/27/59/583152759.db2.gz WAMWPQIGLXDBBT-DDHJBXDOSA-N 0 3 247.335 0.430 20 0 BCADHN Cc1cc(N)nc(N[C@H](CO)CC(F)F)n1 ZINC000893490869 583153200 /nfs/dbraw/zinc/15/32/00/583153200.db2.gz DIYOGNQNPYTBPI-LURJTMIESA-N 0 3 232.234 0.795 20 0 BCADHN CN(C)C1(C(=O)N[C@H]2CC23CC(O)C3)CCC1 ZINC000888955289 583162416 /nfs/dbraw/zinc/16/24/16/583162416.db2.gz NOAHIKQOTRPKGW-YZRBJQDESA-N 0 3 238.331 0.500 20 0 BCADHN COC(=O)[C@H](C)CN(C)CCC(C)=O ZINC000114723345 588881370 /nfs/dbraw/zinc/88/13/70/588881370.db2.gz HTDDSWXZUAFGCB-MRVPVSSYSA-N 0 3 201.266 0.706 20 0 BCADHN O=Cc1cnc(N2CC[C@H](N3CCCC3)C2)nc1 ZINC000126322891 583206541 /nfs/dbraw/zinc/20/65/41/583206541.db2.gz GSLGUJDAOCLZBI-LBPRGKRZSA-N 0 3 246.314 0.964 20 0 BCADHN CC(=O)OC[C@@H](C)N[C@H]1CCn2ccnc2C1 ZINC000893707813 583207597 /nfs/dbraw/zinc/20/75/97/583207597.db2.gz YTBXCDNQTZYLHB-KOLCDFICSA-N 0 3 237.303 0.739 20 0 BCADHN Cc1ccc(CN2CC[C@H](CC(N)=O)C2)nn1 ZINC000857046998 588884341 /nfs/dbraw/zinc/88/43/41/588884341.db2.gz TXJISEIPPQCQTF-SNVBAGLBSA-N 0 3 234.303 0.482 20 0 BCADHN C[C@H]1CCN(CCNC(=O)N[C@@H]2CCOC2)C1 ZINC000893813821 583225641 /nfs/dbraw/zinc/22/56/41/583225641.db2.gz OYIXFAYQNXHGKG-WDEREUQCSA-N 0 3 241.335 0.416 20 0 BCADHN CN(CCC(N)=O)c1cc(N)ncc1Cl ZINC000893842819 583231009 /nfs/dbraw/zinc/23/10/09/583231009.db2.gz SNCFWDQQYJTSES-UHFFFAOYSA-N 0 3 228.683 0.629 20 0 BCADHN CC(C)Cc1ccc(CNC[C@H](O)CO)cn1 ZINC000893897783 583241925 /nfs/dbraw/zinc/24/19/25/583241925.db2.gz YGFDQFXRQPQGIW-ZDUSSCGKSA-N 0 3 238.331 0.723 20 0 BCADHN OCc1cnccc1N[C@@H]1CCCOC1 ZINC000893888920 583244122 /nfs/dbraw/zinc/24/41/22/583244122.db2.gz QLBDCMKOQPBOND-SNVBAGLBSA-N 0 3 208.261 0.587 20 0 BCADHN Cc1ccnc(N2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000893941104 583254627 /nfs/dbraw/zinc/25/46/27/583254627.db2.gz QROPYIFFWIXSAU-QWRGUYRKSA-N 0 3 218.304 0.925 20 0 BCADHN COc1cc(C)nc(N2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000893940810 583254660 /nfs/dbraw/zinc/25/46/60/583254660.db2.gz QOIQURMJFZJJJH-GHMZBOCLSA-N 0 3 248.330 0.934 20 0 BCADHN Cc1nnc(N2CC[C@@H]3CN(C)C[C@@H]32)nc1C ZINC000893941218 583255505 /nfs/dbraw/zinc/25/55/05/583255505.db2.gz SCYCJOPYFBDBHW-MNOVXSKESA-N 0 3 233.319 0.629 20 0 BCADHN COC[C@@H](C)NC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000893964296 583260162 /nfs/dbraw/zinc/26/01/62/583260162.db2.gz QTXHLPWURGCDSK-OUAUKWLOSA-N 0 3 241.335 0.367 20 0 BCADHN COC(=O)[C@H]1CCN(Cc2c(C)ccnc2N)C1 ZINC000893949986 583260181 /nfs/dbraw/zinc/26/01/81/583260181.db2.gz WBXXSBJFXQRZTH-JTQLQIEISA-N 0 3 249.314 0.967 20 0 BCADHN C[C@H](CCCO)CNc1ccncc1CO ZINC000894030376 583282853 /nfs/dbraw/zinc/28/28/53/583282853.db2.gz SCRARWXYHPEWOE-SNVBAGLBSA-N 0 3 224.304 0.816 20 0 BCADHN COc1ccc(CNCCCCO)nc1 ZINC000894081842 583294486 /nfs/dbraw/zinc/29/44/86/583294486.db2.gz GPRIREHBUWLZPF-UHFFFAOYSA-N 0 3 210.277 0.952 20 0 BCADHN CCC1(CNc2ccncc2CO)COC1 ZINC000894099262 583304095 /nfs/dbraw/zinc/30/40/95/583304095.db2.gz JBVWAXPCHGDMEQ-UHFFFAOYSA-N 0 3 222.288 0.834 20 0 BCADHN C[C@@H](O)[C@@H](CO)Nc1cc(N)ncc1Cl ZINC000894169715 583325742 /nfs/dbraw/zinc/32/57/42/583325742.db2.gz OCGLBVILCQUJJG-SVGQVSJJSA-N 0 3 231.683 0.471 20 0 BCADHN CCc1[nH]c(CN[C@H](C)CO)cc1C(=O)OC ZINC000894200666 583337185 /nfs/dbraw/zinc/33/71/85/583337185.db2.gz QERGZSUPCPAWAQ-MRVPVSSYSA-N 0 3 240.303 0.834 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccnc(F)c2)C1 ZINC000814146965 583342463 /nfs/dbraw/zinc/34/24/63/583342463.db2.gz VTHZWHKPMMZOJZ-QWRGUYRKSA-N 0 3 249.289 0.997 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccnc(F)c3)[C@H]2C1 ZINC000814146964 583342959 /nfs/dbraw/zinc/34/29/59/583342959.db2.gz VTHZWHKPMMZOJZ-MNOVXSKESA-N 0 3 249.289 0.997 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2Cc2cncnc2)C1 ZINC000814173963 583343866 /nfs/dbraw/zinc/34/38/66/583343866.db2.gz UIXHJRRNMIDDGJ-RYUDHWBXSA-N 0 3 218.304 0.613 20 0 BCADHN CNC(=O)CCNCc1c(C)ccnc1N ZINC000894206920 583351358 /nfs/dbraw/zinc/35/13/58/583351358.db2.gz OXVZVNYRNVHXHR-UHFFFAOYSA-N 0 3 222.292 0.198 20 0 BCADHN CN(C[C@@H]1CCCN1C)CN1CCC1=O ZINC000857236518 588900273 /nfs/dbraw/zinc/90/02/73/588900273.db2.gz GORCCDUGECLWKP-JTQLQIEISA-N 0 3 211.309 0.202 20 0 BCADHN CON(C)C(=O)CCN1CCSCC1 ZINC000788011792 583360992 /nfs/dbraw/zinc/36/09/92/583360992.db2.gz MJJUKWGFFGKOOR-UHFFFAOYSA-N 0 3 218.322 0.445 20 0 BCADHN CO[C@H]1CCN(CCc2nnnn2C)[C@@H](C)C1 ZINC000878554744 583382028 /nfs/dbraw/zinc/38/20/28/583382028.db2.gz JDFSCHUKOJTNCR-UWVGGRQHSA-N 0 3 239.323 0.252 20 0 BCADHN C[C@H](O)[C@@H]1CN(c2ccncc2CO)CCO1 ZINC000894225827 583383673 /nfs/dbraw/zinc/38/36/73/583383673.db2.gz YZKOWHSZMNSLLE-CABZTGNLSA-N 0 3 238.287 0.160 20 0 BCADHN Cc1cc(N)nc(NCC2(N(C)C)CC2)n1 ZINC000894231107 583384333 /nfs/dbraw/zinc/38/43/33/583384333.db2.gz KETVOYKVSNJFHE-UHFFFAOYSA-N 0 3 221.308 0.873 20 0 BCADHN CN(C)C1(CNc2cnc(CO)cn2)CC1 ZINC000894230329 583384543 /nfs/dbraw/zinc/38/45/43/583384543.db2.gz ABLFBDMRFFTXCF-UHFFFAOYSA-N 0 3 222.292 0.475 20 0 BCADHN Cc1cc(N)nc(N[C@H]2C[C@@](C)(O)C2)n1 ZINC000894234546 583385965 /nfs/dbraw/zinc/38/59/65/583385965.db2.gz UOKHDJLWRQJYDP-WKFQBHICSA-N 0 3 208.265 0.693 20 0 BCADHN CC(=O)N[C@@H]1CCN(c2ccncc2CO)C1 ZINC000894244526 583388875 /nfs/dbraw/zinc/38/88/75/583388875.db2.gz SJXKOCRYPMGIPY-LLVKDONJSA-N 0 3 235.287 0.289 20 0 BCADHN CON(C)C(=O)CNc1cc(N)ncc1Cl ZINC000894249418 583391095 /nfs/dbraw/zinc/39/10/95/583391095.db2.gz VOWOTIQXHVCDGC-UHFFFAOYSA-N 0 3 244.682 0.749 20 0 BCADHN CN(CCCO)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894254711 583393935 /nfs/dbraw/zinc/39/39/35/583393935.db2.gz KBDCHXBNEGCEHO-MNOVXSKESA-N 0 3 247.310 0.934 20 0 BCADHN COC(=O)[C@H]1[C@@H](CNCC2(O)CCC2)C1(F)F ZINC000894259879 583397708 /nfs/dbraw/zinc/39/77/08/583397708.db2.gz HQGFQMRUDFKOBH-HTQZYQBOSA-N 0 3 249.257 0.545 20 0 BCADHN Cc1ccnc(N)c1CNCC(C)(C)O ZINC000894261091 583399405 /nfs/dbraw/zinc/39/94/05/583399405.db2.gz PNAAVZXLJOMVPD-UHFFFAOYSA-N 0 3 209.293 0.833 20 0 BCADHN CC[S@](=O)CCNCc1c(C)ccnc1N ZINC000894260841 583399475 /nfs/dbraw/zinc/39/94/75/583399475.db2.gz OTMAKDJIQSQKDR-INIZCTEOSA-N 0 3 241.360 0.830 20 0 BCADHN COCCN1CC[C@@H](NCc2ocnc2C)C1 ZINC000894273639 583404753 /nfs/dbraw/zinc/40/47/53/583404753.db2.gz QKKJUFKVKLRISP-LLVKDONJSA-N 0 3 239.319 0.793 20 0 BCADHN COC[C@H](O)CNCc1cnn(C)c1C1CC1 ZINC000894278359 583407024 /nfs/dbraw/zinc/40/70/24/583407024.db2.gz TXOMWUOTHREKMF-LLVKDONJSA-N 0 3 239.319 0.394 20 0 BCADHN COC[C@@H](O)CNCc1cn(C)nc1C1CC1 ZINC000894278366 583407102 /nfs/dbraw/zinc/40/71/02/583407102.db2.gz UAKLXPGVOJFQMJ-NSHDSACASA-N 0 3 239.319 0.394 20 0 BCADHN Cc1ccnc(N)c1CN[C@H](C)CCO ZINC000894285653 583410569 /nfs/dbraw/zinc/41/05/69/583410569.db2.gz YRSXWZHBCYGJGN-SECBINFHSA-N 0 3 209.293 0.833 20 0 BCADHN COC[C@@](C)(CO)NC[C@@H]1CC2(CCC2)CO1 ZINC000879162159 583419843 /nfs/dbraw/zinc/41/98/43/583419843.db2.gz JNQPRXHKSGVUFK-NWDGAFQWSA-N 0 3 243.347 0.933 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1CN1CCC1=O ZINC000857232668 588897980 /nfs/dbraw/zinc/89/79/80/588897980.db2.gz IJACFBNSTCHSPV-LLVKDONJSA-N 0 3 225.336 0.448 20 0 BCADHN CC(=O)NCCN(C)c1ccncc1CO ZINC000894355138 583434106 /nfs/dbraw/zinc/43/41/06/583434106.db2.gz UGTYBLKJCAPUNR-UHFFFAOYSA-N 0 3 223.276 0.146 20 0 BCADHN COC(=O)[C@@H]1[C@H](CNCCN2CCC2)C1(F)F ZINC000894355216 583434238 /nfs/dbraw/zinc/43/42/38/583434238.db2.gz UNHWLZVTVCLCFP-IUCAKERBSA-N 0 3 248.273 0.336 20 0 BCADHN COC(=O)[C@@H]1[C@H](CNC[C@H](C)O)C1(F)F ZINC000894359258 583436413 /nfs/dbraw/zinc/43/64/13/583436413.db2.gz NKUWCPIUOZDWHC-ACZMJKKPSA-N 0 3 223.219 0.011 20 0 BCADHN CCN1C[C@@H](CNc2nc(C)cc(N)n2)CC1=O ZINC000894391564 583446273 /nfs/dbraw/zinc/44/62/73/583446273.db2.gz QNSDMETYFGRXGJ-SECBINFHSA-N 0 3 249.318 0.648 20 0 BCADHN CC1(C)COC[C@H]1N[C@H]1CC(=O)N(C2CC2)C1 ZINC000894397734 583448231 /nfs/dbraw/zinc/44/82/31/583448231.db2.gz QZRMVSRRZXOMIA-GXSJLCMTSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCC(CO)(CO)CC2)O1 ZINC000879971284 583452871 /nfs/dbraw/zinc/45/28/71/583452871.db2.gz OTUOJDHFXMNEGD-VXGBXAGGSA-N 0 3 243.347 0.621 20 0 BCADHN C[C@@H](CO)N(C)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894464232 583466485 /nfs/dbraw/zinc/46/64/85/583466485.db2.gz MOWBZTTVINAAGU-AXFHLTTASA-N 0 3 247.310 0.933 20 0 BCADHN CCN(CCO)CCNCc1ocnc1C ZINC000894476564 583470071 /nfs/dbraw/zinc/47/00/71/583470071.db2.gz CEAGKOHROPMKCR-UHFFFAOYSA-N 0 3 227.308 0.387 20 0 BCADHN COC[C@H](CCNc1nc(C)cc(N)n1)OC ZINC000894486852 583471504 /nfs/dbraw/zinc/47/15/04/583471504.db2.gz XHYUKQAQBBNJDV-VIFPVBQESA-N 0 3 240.307 0.831 20 0 BCADHN COC(=O)[C@@H]1[C@H](CNC[C@@H](C)OC)C1(F)F ZINC000894534033 583478588 /nfs/dbraw/zinc/47/85/88/583478588.db2.gz WRSUCMDETXJTHW-CSMHCCOUSA-N 0 3 237.246 0.665 20 0 BCADHN OCc1cnccc1N1CCc2nccnc2C1 ZINC000894617551 583495416 /nfs/dbraw/zinc/49/54/16/583495416.db2.gz REIHHFJMDYQURZ-UHFFFAOYSA-N 0 3 242.282 0.927 20 0 BCADHN COC[C@H](CO)NC[C@@H](OC)C1CCOCC1 ZINC000894619526 583495777 /nfs/dbraw/zinc/49/57/77/583495777.db2.gz LNQSENOXRPNLDZ-NWDGAFQWSA-N 0 3 247.335 0.025 20 0 BCADHN CO[C@H](CN[C@@H](C)COC(C)=O)C1CC1 ZINC000894631136 583498414 /nfs/dbraw/zinc/49/84/14/583498414.db2.gz CFHGUXDWOHZPDS-GZMMTYOYSA-N 0 3 215.293 0.953 20 0 BCADHN CCN1C[C@H](N[C@H](C)COC(C)=O)CC1=O ZINC000894722518 583514809 /nfs/dbraw/zinc/51/48/09/583514809.db2.gz FKJXTEPYKOTOKU-PSASIEDQSA-N 0 3 228.292 0.148 20 0 BCADHN CCN1C[C@@H](N[C@@H](C)COCCOC)CC1=O ZINC000894723475 583514999 /nfs/dbraw/zinc/51/49/99/583514999.db2.gz QVBKGQCGQMXDHH-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN CNC(=O)C[C@H](C)N[C@H](C)COC(C)=O ZINC000894751751 583515866 /nfs/dbraw/zinc/51/58/66/583515866.db2.gz YRWLFFBVPFYROD-JGVFFNPUSA-N 0 3 216.281 0.052 20 0 BCADHN CNC(=O)C[C@H](C)N[C@@H](C)COC(C)=O ZINC000894751753 583516416 /nfs/dbraw/zinc/51/64/16/583516416.db2.gz YRWLFFBVPFYROD-YUMQZZPRSA-N 0 3 216.281 0.052 20 0 BCADHN Cc1ccnc(N)c1CNC[C@H](O)C1CC1 ZINC000894765421 583518255 /nfs/dbraw/zinc/51/82/55/583518255.db2.gz HTGFPLQHZMHEKV-NSHDSACASA-N 0 3 221.304 0.833 20 0 BCADHN Cn1cc(CN[C@H]2C[C@@H](O)C2)c(C2CC2)n1 ZINC000894777297 583519084 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/nfs/dbraw/zinc/52/93/38/583529338.db2.gz PTIGPRFNUMZJQQ-GDNZZTSVSA-N 0 3 233.315 0.642 20 0 BCADHN COc1ccc(CNC[C@H]2CCCNC2=O)o1 ZINC000894866829 583537601 /nfs/dbraw/zinc/53/76/01/583537601.db2.gz FLKBDQDDWPZVQF-SECBINFHSA-N 0 3 238.287 0.904 20 0 BCADHN CC(=O)OC[C@@H](C)NC[C@H]1CCCNC1=O ZINC000894867376 583538207 /nfs/dbraw/zinc/53/82/07/583538207.db2.gz NBNAKSOIAAJXBL-PSASIEDQSA-N 0 3 228.292 0.054 20 0 BCADHN Cn1nnc2cc(CNC[C@H]3COCO3)ccc21 ZINC000894873010 583539999 /nfs/dbraw/zinc/53/99/99/583539999.db2.gz MDWCMCFEIWLTAU-JTQLQIEISA-N 0 3 248.286 0.431 20 0 BCADHN CC(C)n1cc(CNC[C@@H]2COCO2)cn1 ZINC000894872998 583540381 /nfs/dbraw/zinc/54/03/81/583540381.db2.gz MCYRSZJLTIEAFT-LLVKDONJSA-N 0 3 225.292 0.927 20 0 BCADHN CC(C)n1cc(CNC[C@H]2COCO2)cn1 ZINC000894873004 583540624 /nfs/dbraw/zinc/54/06/24/583540624.db2.gz MCYRSZJLTIEAFT-NSHDSACASA-N 0 3 225.292 0.927 20 0 BCADHN OCCCN1CCC[C@H](NCc2c[nH]cn2)C1 ZINC000894873789 583541051 /nfs/dbraw/zinc/54/10/51/583541051.db2.gz KHSJSFCLKIUOLB-NSHDSACASA-N 0 3 238.335 0.346 20 0 BCADHN c1nc2cnccn2c1CNC[C@H]1COCO1 ZINC000894875714 583541439 /nfs/dbraw/zinc/54/14/39/583541439.db2.gz HGEXCVNOGVHFRT-JTQLQIEISA-N 0 3 234.259 0.192 20 0 BCADHN Cc1ccc(CNC[C@H]2COCO2)cn1 ZINC000894878330 583542450 /nfs/dbraw/zinc/54/24/50/583542450.db2.gz AWBXAZLSHQHIEC-NSHDSACASA-N 0 3 208.261 0.853 20 0 BCADHN C[C@@H](O)c1ncc(CNC[C@@H]2COCO2)s1 ZINC000894879620 583542686 /nfs/dbraw/zinc/54/26/86/583542686.db2.gz VLLDNRYUKGQZED-HTQZYQBOSA-N 0 3 244.316 0.659 20 0 BCADHN CC(C)n1nccc1CNC[C@H]1COCO1 ZINC000894878588 583542836 /nfs/dbraw/zinc/54/28/36/583542836.db2.gz JLMYTOUNJUVMFA-NSHDSACASA-N 0 3 225.292 0.927 20 0 BCADHN COc1ccc(CNC[C@H]2COCO2)cn1 ZINC000894879242 583542991 /nfs/dbraw/zinc/54/29/91/583542991.db2.gz RYXUVTXDMZCMBB-JTQLQIEISA-N 0 3 224.260 0.553 20 0 BCADHN Cn1ccc(CN2CC=C[C@H]2CO)cc1=O ZINC000880484980 583543598 /nfs/dbraw/zinc/54/35/98/583543598.db2.gz CIUJISLQAQZLNX-NSHDSACASA-N 0 3 220.272 0.118 20 0 BCADHN OC[C@@H]1C=CCN1C[C@@H](O)c1ccccc1 ZINC000880487159 583544615 /nfs/dbraw/zinc/54/46/15/583544615.db2.gz XPKCHDMYUKRFSW-QWHCGFSZSA-N 0 3 219.284 0.953 20 0 BCADHN CCOC(=O)CCCN1CC=C[C@@H]1CO ZINC000880486914 583544870 /nfs/dbraw/zinc/54/48/70/583544870.db2.gz QOKUKKAWOSELAJ-SNVBAGLBSA-N 0 3 213.277 0.562 20 0 BCADHN CC(C)OCC[C@@H](O)CN1CC=C[C@H]1CO ZINC000880491620 583545170 /nfs/dbraw/zinc/54/51/70/583545170.db2.gz KWAPMKOLXVKUBV-NWDGAFQWSA-N 0 3 229.320 0.395 20 0 BCADHN CN(C)C(=O)CCCN1CC=C[C@@H]1CO ZINC000880493018 583545191 /nfs/dbraw/zinc/54/51/91/583545191.db2.gz XQXZVFPVTIKGJO-SNVBAGLBSA-N 0 3 212.293 0.088 20 0 BCADHN CC(C)(O)CCN1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880522752 583546028 /nfs/dbraw/zinc/54/60/28/583546028.db2.gz AOPOTMKPUABJKU-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN CCC[C@H](O)CN1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880523013 583546043 /nfs/dbraw/zinc/54/60/43/583546043.db2.gz CCQMJSVAAHMXLC-WOPDTQHZSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H](O)CCN1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880526771 583546407 /nfs/dbraw/zinc/54/64/07/583546407.db2.gz NTNZQVHDLYKGDA-HBNTYKKESA-N 0 3 226.320 0.358 20 0 BCADHN c1cn2cc(CNC[C@@H]3COCO3)sc2n1 ZINC000894886437 583546521 /nfs/dbraw/zinc/54/65/21/583546521.db2.gz CYQKYHZZQHQOTO-MRVPVSSYSA-N 0 3 239.300 0.858 20 0 BCADHN c1nc2n(c1CNC[C@@H]1COCO1)CCC2 ZINC000894888272 583547363 /nfs/dbraw/zinc/54/73/63/583547363.db2.gz JZYHZWCVDQNGQK-SNVBAGLBSA-N 0 3 223.276 0.292 20 0 BCADHN CCCn1nccc1CNC[C@@H]1COCO1 ZINC000894889313 583548060 /nfs/dbraw/zinc/54/80/60/583548060.db2.gz NYRPZMFEZSPLHK-LLVKDONJSA-N 0 3 225.292 0.756 20 0 BCADHN C[C@@H]1CN(C(=O)C(=O)OC(C)(C)C)[C@H](C)CN1 ZINC000857765141 588910164 /nfs/dbraw/zinc/91/01/64/588910164.db2.gz NCZQQVZQJAZGDJ-RKDXNWHRSA-N 0 3 242.319 0.537 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN2CC[C@@H](O)[C@H]2C)C1(F)F ZINC000894917936 583555517 /nfs/dbraw/zinc/55/55/17/583555517.db2.gz POYDVKOVKOULNB-BGZDPUMWSA-N 0 3 249.257 0.496 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H](C)C(=O)NC(C)C ZINC000894933108 583556722 /nfs/dbraw/zinc/55/67/22/583556722.db2.gz FUMVCJIVSZQZBK-IUCAKERBSA-N 0 3 230.308 0.441 20 0 BCADHN CC(=O)N[C@H]1CCN(Cc2cc[nH]c(=O)c2)C1 ZINC000894973026 583562595 /nfs/dbraw/zinc/56/25/95/583562595.db2.gz IPQNTGSNMPCMMT-NSHDSACASA-N 0 3 235.287 0.498 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2ccc(OC)o2)C1 ZINC000894973011 583562797 /nfs/dbraw/zinc/56/27/97/583562797.db2.gz IBTGPIOEDRBIBR-SECBINFHSA-N 0 3 238.287 0.856 20 0 BCADHN O[C@@H]1CC[C@H]1N[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895012914 583567893 /nfs/dbraw/zinc/56/78/93/583567893.db2.gz NGQYFSMIWKKHIV-UKKRHICBSA-N 0 3 245.294 0.733 20 0 BCADHN Cc1[nH]nc(CN(C[C@H](O)CO)C(C)C)c1C ZINC000895035830 583570179 /nfs/dbraw/zinc/57/01/79/583570179.db2.gz BEKNNIQNFRDBNN-NSHDSACASA-N 0 3 241.335 0.590 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2[nH]nc(C)c2C)C1 ZINC000895035138 583570532 /nfs/dbraw/zinc/57/05/32/583570532.db2.gz XWRZYHHJHHWOOI-JTQLQIEISA-N 0 3 236.319 0.594 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2n[nH]c(C)c2C)C1 ZINC000895035138 583570533 /nfs/dbraw/zinc/57/05/33/583570533.db2.gz XWRZYHHJHHWOOI-JTQLQIEISA-N 0 3 236.319 0.594 20 0 BCADHN CCC[C@@H]1CN(c2nccn3nnnc23)CCN1 ZINC000895057712 583575407 /nfs/dbraw/zinc/57/54/07/583575407.db2.gz HMJUIEPBWDKVRE-SECBINFHSA-N 0 3 247.306 0.098 20 0 BCADHN CCC[C@@H]1CN(c2ncc(C=O)cn2)CCN1 ZINC000895058831 583575522 /nfs/dbraw/zinc/57/55/22/583575522.db2.gz OQTVZSXRUIOKRT-LLVKDONJSA-N 0 3 234.303 0.867 20 0 BCADHN CN(C)C[C@@H](O)CN[C@H]1CCCc2c[nH]nc21 ZINC000857853118 588913059 /nfs/dbraw/zinc/91/30/59/588913059.db2.gz LIZKRVZGKFDJBB-QWRGUYRKSA-N 0 3 238.335 0.299 20 0 BCADHN Cc1cc(N)nc(NC[C@H]2C[C@H](O)C2)n1 ZINC000895075600 583580962 /nfs/dbraw/zinc/58/09/62/583580962.db2.gz VCOKADSNHAOGQC-ZKCHVHJHSA-N 0 3 208.265 0.550 20 0 BCADHN COC[C@](C)(O)CN[C@H]1CCCc2c[nH]nc21 ZINC000857854726 588913759 /nfs/dbraw/zinc/91/37/59/588913759.db2.gz PUVMCVZEFMCMHH-CMPLNLGQSA-N 0 3 239.319 0.774 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN[C@H]2CO[C@H](C)C2)C1(F)F ZINC000895082221 583583428 /nfs/dbraw/zinc/58/34/28/583583428.db2.gz DHWJWAUUUKNZNM-HXFLIBJXSA-N 0 3 249.257 0.808 20 0 BCADHN CC[C@@H](CNCc1c[nH]cn1)C(=O)OC ZINC000895127534 583598455 /nfs/dbraw/zinc/59/84/55/583598455.db2.gz MATLBXRLBWYHCX-QMMMGPOBSA-N 0 3 211.265 0.699 20 0 BCADHN CC[C@@H](CNCc1cnc[nH]1)C(=O)OC ZINC000895127534 583598457 /nfs/dbraw/zinc/59/84/57/583598457.db2.gz MATLBXRLBWYHCX-QMMMGPOBSA-N 0 3 211.265 0.699 20 0 BCADHN O=C1C[C@H](CNCc2c[nH]cn2)CN1C1CC1 ZINC000895146916 583604910 /nfs/dbraw/zinc/60/49/10/583604910.db2.gz NFKXQMKBOIFMRB-SECBINFHSA-N 0 3 234.303 0.510 20 0 BCADHN CCN1C[C@H](CNCc2ocnc2C)CC1=O ZINC000895149246 583605527 /nfs/dbraw/zinc/60/55/27/583605527.db2.gz URIZKQGDSISZRW-JTQLQIEISA-N 0 3 237.303 0.941 20 0 BCADHN C[C@H](N[C@H]1CCO[C@H](C)C1)C1N=NC(=O)N1C ZINC000895175483 583615190 /nfs/dbraw/zinc/61/51/90/583615190.db2.gz JGJHRBJYYHBKBD-VGMNWLOBSA-N 0 3 240.307 0.739 20 0 BCADHN C[C@H](NC1CCN(C)CC1)C1N=NC(=O)N1C ZINC000895177413 583616344 /nfs/dbraw/zinc/61/63/44/583616344.db2.gz RTBSJLKTSYEDIC-QMMMGPOBSA-N 0 3 239.323 0.266 20 0 BCADHN C[C@H](NC[C@H]1C[C@@H]1C)C1N=NC(=O)N1C ZINC000895177826 583616403 /nfs/dbraw/zinc/61/64/03/583616403.db2.gz XNXZZCHNVWHQKE-BIIVOSGPSA-N 0 3 210.281 0.827 20 0 BCADHN C[C@H](N[C@H]1CCSC1)c1n[nH]c(=O)n1C ZINC000895179362 583617029 /nfs/dbraw/zinc/61/70/29/583617029.db2.gz HRGUWWLUZQCJAA-BQBZGAKWSA-N 0 3 228.321 0.677 20 0 BCADHN Cc1coc(CN2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000895188220 583619635 /nfs/dbraw/zinc/61/96/35/583619635.db2.gz PPBCXPCQRJQUBP-NWDGAFQWSA-N 0 3 236.315 0.839 20 0 BCADHN Nc1cc(N[C@@H]2C[C@@H](O)[C@@H](O)C2)c(Cl)cn1 ZINC000895199442 583624208 /nfs/dbraw/zinc/62/42/08/583624208.db2.gz JYZHGXMVXKNVBR-QQCXKNPLSA-N 0 3 243.694 0.613 20 0 BCADHN C=C/C=C\CCNS(=O)(=O)CCCN(C)C ZINC000882586195 583624724 /nfs/dbraw/zinc/62/47/24/583624724.db2.gz GFHSGESLBRKUQV-WAYWQWQTSA-N 0 3 246.376 0.990 20 0 BCADHN C[C@@H](CNC(=O)N1CC[C@H](O)[C@@H](F)C1)N(C)C ZINC000895208807 583626137 /nfs/dbraw/zinc/62/61/37/583626137.db2.gz MXAKUPZXIMYXAH-GUBZILKMSA-N 0 3 247.314 0.051 20 0 BCADHN Cc1nc(C(=O)N[C@H]2CNCCC2(F)F)no1 ZINC000857768271 588910652 /nfs/dbraw/zinc/91/06/52/588910652.db2.gz ODOKPHBTJOGGGI-LURJTMIESA-N 0 3 246.217 0.105 20 0 BCADHN Cc1occc1CN1C[C@H](O)C[C@@]1(C)CO ZINC000895324786 583651041 /nfs/dbraw/zinc/65/10/41/583651041.db2.gz MQOMBUXXGWMGSX-NEPJUHHUSA-N 0 3 225.288 0.906 20 0 BCADHN C[C@@H]1SCC[C@H]1N[C@@H]1C(=O)NCC1(C)C ZINC000895324608 583651090 /nfs/dbraw/zinc/65/10/90/583651090.db2.gz QPQWLJJCSZGKHD-DJLDLDEBSA-N 0 3 228.361 0.995 20 0 BCADHN Cc1coc(CN2C[C@H](O)C[C@]2(C)CO)c1 ZINC000895325174 583651279 /nfs/dbraw/zinc/65/12/79/583651279.db2.gz OMILIJKOVSCLRZ-ZYHUDNBSSA-N 0 3 225.288 0.906 20 0 BCADHN C[C@@H]1SCC[C@@H]1N[C@@H]1C(=O)NCC1(C)C ZINC000895324609 583651359 /nfs/dbraw/zinc/65/13/59/583651359.db2.gz QPQWLJJCSZGKHD-XHNCKOQMSA-N 0 3 228.361 0.995 20 0 BCADHN C[C@@H]1CN(CCCN2CCOC2=O)CCCO1 ZINC000727436957 583652122 /nfs/dbraw/zinc/65/21/22/583652122.db2.gz OSTHURVSLIGWJN-LLVKDONJSA-N 0 3 242.319 0.940 20 0 BCADHN COC(=O)[C@@H]1[C@H](CNC2([C@H](C)O)CC2)C1(F)F ZINC000895333889 583652864 /nfs/dbraw/zinc/65/28/64/583652864.db2.gz CTQZLJOIXVLOEE-FXQIFTODSA-N 0 3 249.257 0.544 20 0 BCADHN Cc1n[nH]cc1CN1C[C@H](O)C[C@]1(C)CO ZINC000895330345 583653378 /nfs/dbraw/zinc/65/33/78/583653378.db2.gz LHSLGLKLXCEDAF-GHMZBOCLSA-N 0 3 225.292 0.036 20 0 BCADHN CCO[C@@H]1C[C@@H](NC/C=C\CO)[C@H]1OC ZINC000895339590 583653947 /nfs/dbraw/zinc/65/39/47/583653947.db2.gz SUOOHTHUVBEUON-LOTCAWRZSA-N 0 3 215.293 0.317 20 0 BCADHN CC(C)C(CN1C[C@H](O)C[C@H]1C(N)=O)C(C)C ZINC000895371258 583661460 /nfs/dbraw/zinc/66/14/60/583661460.db2.gz NUBWEXUUDCREEK-PWSUYJOCSA-N 0 3 242.363 0.835 20 0 BCADHN CC(C)(O)CN1CC[C@H](NCc2c[nH]cn2)C1 ZINC000895416891 583667066 /nfs/dbraw/zinc/66/70/66/583667066.db2.gz GBJVQYJZNQMPIG-JTQLQIEISA-N 0 3 238.335 0.345 20 0 BCADHN COC(=O)N(C)CCN[C@H](C)COC(C)=O ZINC000895403399 583667577 /nfs/dbraw/zinc/66/75/77/583667577.db2.gz FGDUFJGDZAJUJF-MRVPVSSYSA-N 0 3 232.280 0.226 20 0 BCADHN COCCOC[C@H](C)N[C@@H]1C(=O)NCC1(C)C ZINC000895432700 583671209 /nfs/dbraw/zinc/67/12/09/583671209.db2.gz DOFVJAVWPXQAKS-VHSXEESVSA-N 0 3 244.335 0.152 20 0 BCADHN O=S1(=O)CCC[C@H](N[C@@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000895434041 583672617 /nfs/dbraw/zinc/67/26/17/583672617.db2.gz OHTWONAOGNRIEQ-MMWGEVLESA-N 0 3 229.345 0.952 20 0 BCADHN O=C(C1CN(C2CCOCC2)C1)N1CCCC1 ZINC000895440170 583675193 /nfs/dbraw/zinc/67/51/93/583675193.db2.gz QPVLTQXXELRYCB-UHFFFAOYSA-N 0 3 238.331 0.720 20 0 BCADHN COC(=O)C1=CC[C@@H](N[C@H](C)COC(C)=O)C1 ZINC000895571128 583692044 /nfs/dbraw/zinc/69/20/44/583692044.db2.gz BWMNQPPONYPZAY-LDYMZIIASA-N 0 3 241.287 0.789 20 0 BCADHN CO[C@H]1CC[C@H](N2CCc3cnc(N)nc3C2)C1 ZINC000857923718 588924421 /nfs/dbraw/zinc/92/44/21/588924421.db2.gz KYFNAHDYHPLSML-QWRGUYRKSA-N 0 3 248.330 0.984 20 0 BCADHN O=C1OC[C@H]2CN(Cc3cc[nH]c(=O)c3)C[C@@H]12 ZINC000895667333 583705429 /nfs/dbraw/zinc/70/54/29/583705429.db2.gz ISDBUGFSOKSFCT-NXEZZACHSA-N 0 3 234.255 0.392 20 0 BCADHN CON(C)C(=O)[C@H](C)NC1CCC(C)(O)CC1 ZINC000895666903 583705446 /nfs/dbraw/zinc/70/54/46/583705446.db2.gz YFTINLJJVICVFH-BMQDGWLCSA-N 0 3 244.335 0.678 20 0 BCADHN COCCOC[C@H](C)N[C@@H](C)C(=O)N(C)OC ZINC000895666626 583705587 /nfs/dbraw/zinc/70/55/87/583705587.db2.gz VEEOSFLVUSVBOY-UWVGGRQHSA-N 0 3 248.323 0.036 20 0 BCADHN CON(C)C(=O)[C@@H](C)NC[C@H]1COC(C)(C)O1 ZINC000895667199 583705923 /nfs/dbraw/zinc/70/59/23/583705923.db2.gz BSTFFLJRAJPRJW-BDAKNGLRSA-N 0 3 246.307 0.136 20 0 BCADHN CCC[C@@H](CN1CC[C@](O)(C(=O)OC)C1)OC ZINC000895702879 583709605 /nfs/dbraw/zinc/70/96/05/583709605.db2.gz GFGCZGIEVFHERD-CMPLNLGQSA-N 0 3 245.319 0.411 20 0 BCADHN CO[C@@H](C)CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000895741515 583714398 /nfs/dbraw/zinc/71/43/98/583714398.db2.gz FXOPLXQLBMNQDR-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN CNC(=O)c1cccnc1N[C@H]1CCN(C)[C@@H]1C ZINC000895739280 583714616 /nfs/dbraw/zinc/71/46/16/583714616.db2.gz CFMWIHKNOOBPRT-KOLCDFICSA-N 0 3 248.330 0.946 20 0 BCADHN C[C@@H]1[C@H](Nc2cc(C(N)=O)ncn2)CCN1C ZINC000895734888 583717356 /nfs/dbraw/zinc/71/73/56/583717356.db2.gz BACYQOROJIZJCF-HTQZYQBOSA-N 0 3 235.291 0.080 20 0 BCADHN C[C@@H]1[C@@H](Nc2ccncc2C(N)=O)CCN1C ZINC000895737411 583718122 /nfs/dbraw/zinc/71/81/22/583718122.db2.gz UHLHPLAKNUWMOU-SCZZXKLOSA-N 0 3 234.303 0.107 20 0 BCADHN Cc1ccc(O[C@H]2CCN(CCO)C2)nc1 ZINC000858037032 588931087 /nfs/dbraw/zinc/93/10/87/588931087.db2.gz SGXKWQYDDZYYHQ-NSHDSACASA-N 0 3 222.288 0.835 20 0 BCADHN COC(OC)[C@@H](C)NCCCc1cnn(C)c1 ZINC000895788955 583727514 /nfs/dbraw/zinc/72/75/14/583727514.db2.gz DFCCHQKQOOTATK-SNVBAGLBSA-N 0 3 241.335 0.950 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](N[C@H](C)C(OC)OC)C1 ZINC000895789566 583727545 /nfs/dbraw/zinc/72/75/45/583727545.db2.gz KJOUPXZLCGVUKR-OPRDCNLKSA-N 0 3 245.319 0.925 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@H](C)C(OC)OC)[C@H]1OC ZINC000895788918 583727634 /nfs/dbraw/zinc/72/76/34/583727634.db2.gz CDYWVSUYVSOYNE-GWOFURMSSA-N 0 3 247.335 0.776 20 0 BCADHN COC(OC)[C@@H](C)N[C@@H](C)Cn1cncn1 ZINC000895790759 583728400 /nfs/dbraw/zinc/72/84/00/583728400.db2.gz VFUDLBRHFOWDNN-DTWKUNHWSA-N 0 3 228.296 0.264 20 0 BCADHN C[C@H]1CO[C@H](C(=O)NCCNc2ccncc2)C1 ZINC000895798076 583731083 /nfs/dbraw/zinc/73/10/83/583731083.db2.gz ABYAXKRNGQKPOX-PWSUYJOCSA-N 0 3 249.314 0.457 20 0 BCADHN CC(C)(C)N1CC[C@@H]1C(=O)NCc1nc[nH]n1 ZINC000895817800 583733997 /nfs/dbraw/zinc/73/39/97/583733997.db2.gz LNUUVRGSGRSFBY-MRVPVSSYSA-N 0 3 237.307 0.294 20 0 BCADHN CC(C)(C)N1CC[C@@H]1C(=O)NCc1nnc[nH]1 ZINC000895817800 583733998 /nfs/dbraw/zinc/73/39/98/583733998.db2.gz LNUUVRGSGRSFBY-MRVPVSSYSA-N 0 3 237.307 0.294 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)NC[C@H]2CCCN2C)C1 ZINC000895884844 583738826 /nfs/dbraw/zinc/73/88/26/583738826.db2.gz RLLGBAJTEXBMSI-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN 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/nfs/dbraw/zinc/83/93/52/583839352.db2.gz UXLIGCORLNWVFR-LOWVWBTDSA-N 0 3 248.330 0.979 20 0 BCADHN CSCCC(=O)N1CCNC(C)(C)C1 ZINC000148082967 583847431 /nfs/dbraw/zinc/84/74/31/583847431.db2.gz WGLVCJTXIPRERG-UHFFFAOYSA-N 0 3 216.350 0.950 20 0 BCADHN CN(CCCO)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000281517442 583848499 /nfs/dbraw/zinc/84/84/99/583848499.db2.gz BQFUPXIKMKQAPS-OLZOCXBDSA-N 0 3 221.300 0.959 20 0 BCADHN CN(CCCO)[C@@H]1Cc2ccccc2[C@H]1O ZINC000281517438 583848522 /nfs/dbraw/zinc/84/85/22/583848522.db2.gz BQFUPXIKMKQAPS-CHWSQXEVSA-N 0 3 221.300 0.959 20 0 BCADHN Cc1ccnn1CC(=O)NCCN1CCCC1 ZINC000858175190 588937228 /nfs/dbraw/zinc/93/72/28/588937228.db2.gz IBMMQJSKYTVFJX-UHFFFAOYSA-N 0 3 236.319 0.404 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000896947983 583862530 /nfs/dbraw/zinc/86/25/30/583862530.db2.gz DMIMAADBBHBDAR-UTUOFQBUSA-N 0 3 239.363 0.537 20 0 BCADHN OCCOCCNCc1ccnc(F)c1 ZINC000858088235 588931539 /nfs/dbraw/zinc/93/15/39/588931539.db2.gz 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BCADHN CO[C@]1(C[NH2+]Cc2cncc([O-])c2)CCOC1 ZINC000897314883 583918099 /nfs/dbraw/zinc/91/80/99/583918099.db2.gz CUXJHARQHJLBKX-LBPRGKRZSA-N 0 3 238.287 0.682 20 0 BCADHN CO[C@]1(CNCc2cncc(O)c2)CCOC1 ZINC000897314883 583918100 /nfs/dbraw/zinc/91/81/00/583918100.db2.gz CUXJHARQHJLBKX-LBPRGKRZSA-N 0 3 238.287 0.682 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)Cc1cnn(C)c1 ZINC000870551186 583922618 /nfs/dbraw/zinc/92/26/18/583922618.db2.gz MFNHVBTVRWXXLV-LLVKDONJSA-N 0 3 239.319 0.846 20 0 BCADHN O[C@@H]1CCN(CCNCc2ccc(F)nc2)C1 ZINC000858298303 588942679 /nfs/dbraw/zinc/94/26/79/588942679.db2.gz PEWBIIZADPOJPT-LLVKDONJSA-N 0 3 239.294 0.377 20 0 BCADHN O[C@@H]1CCN(CCNCc2ccoc2)C1 ZINC000858297787 588942894 /nfs/dbraw/zinc/94/28/94/588942894.db2.gz IIIBAGAGAWOEMX-LLVKDONJSA-N 0 3 210.277 0.436 20 0 BCADHN CC(=O)N1CCCN(c2ccnc(CO)c2)CC1 ZINC000858329616 588946075 /nfs/dbraw/zinc/94/60/75/588946075.db2.gz KCXMOXOCCAISFR-UHFFFAOYSA-N 0 3 249.314 0.633 20 0 BCADHN O[C@@H]1COCC[C@H]1NCc1ccc(Cl)nc1 ZINC000858300707 588943564 /nfs/dbraw/zinc/94/35/64/588943564.db2.gz MOOHDFSMASJPLI-NXEZZACHSA-N 0 3 242.706 0.974 20 0 BCADHN O=C(C1CN(C2CCOCC2)C1)N1CCCO1 ZINC000897358583 583937248 /nfs/dbraw/zinc/93/72/48/583937248.db2.gz VUGRZGHMVSQUDS-UHFFFAOYSA-N 0 3 240.303 0.261 20 0 BCADHN CC(=O)N1CCN(c2ccnc(CO)c2)CC1 ZINC000858308440 588943887 /nfs/dbraw/zinc/94/38/87/588943887.db2.gz CVJICDQSXFGICL-UHFFFAOYSA-N 0 3 235.287 0.242 20 0 BCADHN CN(C)C(=O)CN(C)c1ccnc(CO)c1 ZINC000858317011 588944469 /nfs/dbraw/zinc/94/44/69/588944469.db2.gz QTPDOLQHCBKVPJ-UHFFFAOYSA-N 0 3 223.276 0.098 20 0 BCADHN CC(C)C(=O)NCCNc1ccnc(CO)c1 ZINC000858317867 588944492 /nfs/dbraw/zinc/94/44/92/588944492.db2.gz GBOHDBMJENEORT-UHFFFAOYSA-N 0 3 237.303 0.758 20 0 BCADHN CON(C)C(=O)[C@H](C)NCc1[nH]ncc1C ZINC000858319566 588944788 /nfs/dbraw/zinc/94/47/88/588944788.db2.gz NLGXRPUTKPMRNH-QMMMGPOBSA-N 0 3 226.280 0.216 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CCCSC1 ZINC000858319818 588944843 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/nfs/dbraw/zinc/97/63/24/583976324.db2.gz SQGJBGVLEHBPFW-WDEREUQCSA-N 0 3 243.351 0.398 20 0 BCADHN CC(C)C[C@H]1CCCN1CCS(N)(=O)=O ZINC000740875749 583977634 /nfs/dbraw/zinc/97/76/34/583977634.db2.gz HHIQITDDHXBIPW-SNVBAGLBSA-N 0 3 234.365 0.785 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)N(C)CCCO)C1 ZINC000897455419 583987394 /nfs/dbraw/zinc/98/73/94/583987394.db2.gz RLDXSFLJFOMZTR-LLVKDONJSA-N 0 3 243.351 0.352 20 0 BCADHN CC(C)ONC(=O)NCCN1CC[C@H](C)C1 ZINC000897461290 583988372 /nfs/dbraw/zinc/98/83/72/583988372.db2.gz ZKJBGYOKIXOCKK-JTQLQIEISA-N 0 3 229.324 0.967 20 0 BCADHN CCN(CCO)C(=O)NCCN1CCC[C@@H]1C ZINC000897474176 583991168 /nfs/dbraw/zinc/99/11/68/583991168.db2.gz NANAHJBWLXBZHO-NSHDSACASA-N 0 3 243.351 0.495 20 0 BCADHN CC[C@@H](CO)NC(=O)NCCN1CCC[C@H]1C ZINC000897473667 583991211 /nfs/dbraw/zinc/99/12/11/583991211.db2.gz BRTCGSOBSZCRMW-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)N(C)CCO ZINC000897490466 583994273 /nfs/dbraw/zinc/99/42/73/583994273.db2.gz 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0.679 20 0 BCADHN C/C=C\C(=O)N(CCOC)CCN(C)C ZINC000729629609 584020731 /nfs/dbraw/zinc/02/07/31/584020731.db2.gz PPVVTKZTQNGNSN-WAYWQWQTSA-N 0 3 214.309 0.599 20 0 BCADHN COCCN(CCN(C)C)C(=S)NC1CC1 ZINC000729645824 584020896 /nfs/dbraw/zinc/02/08/96/584020896.db2.gz SDVMPVMBUJNSOZ-UHFFFAOYSA-N 0 3 245.392 0.533 20 0 BCADHN C[C@H]1CN(C[C@H]2COC(C)(C)O2)C[C@@H]1O ZINC000897676326 584036420 /nfs/dbraw/zinc/03/64/20/584036420.db2.gz LIJALOMZIPIDMP-GUBZILKMSA-N 0 3 215.293 0.451 20 0 BCADHN C[C@@H]1CN(Cc2c3c(nn2C)CCC3)C[C@@H]1O ZINC000897676575 584036469 /nfs/dbraw/zinc/03/64/69/584036469.db2.gz SCIUSSHGZUDJEP-RNCFNFMXSA-N 0 3 235.331 0.721 20 0 BCADHN C[C@@H]1CN(Cc2cnc3n2CCC3)C[C@H]1O ZINC000897679410 584037203 /nfs/dbraw/zinc/03/72/03/584037203.db2.gz KDQVMXDUYLHNFB-MWLCHTKSSA-N 0 3 221.304 0.642 20 0 BCADHN C=Cn1cc(CN2C[C@@H](C)[C@H](O)C2)cn1 ZINC000897681051 584039157 /nfs/dbraw/zinc/03/91/57/584039157.db2.gz YIELGDNYTYQQKI-MWLCHTKSSA-N 0 3 207.277 0.796 20 0 BCADHN CN(CCC(N)=O)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897748552 584043638 /nfs/dbraw/zinc/04/36/38/584043638.db2.gz WMYRDZCEAIEAOB-VIFPVBQESA-N 0 3 241.335 0.193 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897814038 584047290 /nfs/dbraw/zinc/04/72/90/584047290.db2.gz HGBVYMXPNDZFMA-UUFBCVLASA-N 0 3 245.344 0.185 20 0 BCADHN Cc1cnn(C)c1CN[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897814965 584047788 /nfs/dbraw/zinc/04/77/88/584047788.db2.gz OJMPAUHGAPRUMP-WAPUPBOZSA-N 0 3 233.315 0.994 20 0 BCADHN c1n[nH]cc1CN[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897809129 584050280 /nfs/dbraw/zinc/05/02/80/584050280.db2.gz IDRFMIHJDOFMHA-XXFSISAASA-N 0 3 205.261 0.675 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2CC[C@H]3CN(C)C[C@H]32)C1 ZINC000897825436 584052120 /nfs/dbraw/zinc/05/21/20/584052120.db2.gz IBVDZRJOYSQMAT-YFKTTZPYSA-N 0 3 238.331 0.574 20 0 BCADHN CC[C@H](C)[C@H](CN[C@]1(C)CCNC1=O)OC ZINC000897869123 584055099 /nfs/dbraw/zinc/05/50/99/584055099.db2.gz OUQZGKWTQLBYND-JBLDHEPKSA-N 0 3 228.336 0.916 20 0 BCADHN CO[C@@H](CN[C@]1(C)CCNC1=O)C1CC1 ZINC000897869368 584055879 /nfs/dbraw/zinc/05/58/79/584055879.db2.gz QVUJNRXLLMXQKI-GXSJLCMTSA-N 0 3 212.293 0.280 20 0 BCADHN Cc1cnc(F)cc1C(=O)NOCCN(C)C ZINC000897878025 584057056 /nfs/dbraw/zinc/05/70/56/584057056.db2.gz XICJSZAITPWJBS-UHFFFAOYSA-N 0 3 241.266 0.752 20 0 BCADHN CN1C[C@H](Nc2ccnc(CO)c2)CC1=O ZINC000858418338 588952906 /nfs/dbraw/zinc/95/29/06/588952906.db2.gz QUMQEBORLTYLEI-SECBINFHSA-N 0 3 221.260 0.217 20 0 BCADHN CO[C@@H]1CCOC[C@H]1NCc1n[nH]c(C)c1C ZINC000897889219 584057922 /nfs/dbraw/zinc/05/79/22/584057922.db2.gz ODYJUGKVBZOXBX-VXGBXAGGSA-N 0 3 239.319 0.920 20 0 BCADHN OCCC1CC(NCc2cncnc2)C1 ZINC000898007541 584070257 /nfs/dbraw/zinc/07/02/57/584070257.db2.gz CCVBBGCDIQZVHM-UHFFFAOYSA-N 0 3 207.277 0.727 20 0 BCADHN C[C@@H](N[C@@H](CO)c1ccnn1C)C1CC1 ZINC000858434682 588954218 /nfs/dbraw/zinc/95/42/18/588954218.db2.gz MTMGCRMHLLULSR-SCZZXKLOSA-N 0 3 209.293 0.842 20 0 BCADHN Cn1cncc1CNC1CC(CCO)C1 ZINC000898008563 584071063 /nfs/dbraw/zinc/07/10/63/584071063.db2.gz PWIRFRSNXQZRSG-UHFFFAOYSA-N 0 3 209.293 0.671 20 0 BCADHN CNC(=O)[C@H](C)CN(C)c1ccnc(CO)c1 ZINC000858434923 588954261 /nfs/dbraw/zinc/95/42/61/588954261.db2.gz SWGKJGSIPGJBAG-SECBINFHSA-N 0 3 237.303 0.392 20 0 BCADHN OCc1cc(NCC2(CO)CC2)ccn1 ZINC000858432002 588954499 /nfs/dbraw/zinc/95/44/99/588954499.db2.gz KHYMHIYVHSNVCZ-UHFFFAOYSA-N 0 3 208.261 0.758 20 0 BCADHN CN(C)C1(CNC(=O)c2ncccn2)CC1 ZINC000897990212 584072613 /nfs/dbraw/zinc/07/26/13/584072613.db2.gz YNGPZSJXKWBKPU-UHFFFAOYSA-N 0 3 220.276 0.301 20 0 BCADHN Cc1ncc(CNC2CC(CCO)C2)n1C ZINC000898016156 584074683 /nfs/dbraw/zinc/07/46/83/584074683.db2.gz YPWAGNHROVHYFV-UHFFFAOYSA-N 0 3 223.320 0.979 20 0 BCADHN CCC[C@@]1(CO)CCN([C@@H](CC)C(N)=O)C1 ZINC000344167746 584081754 /nfs/dbraw/zinc/08/17/54/584081754.db2.gz NWPGXWGEZHXVIL-CMPLNLGQSA-N 0 3 228.336 0.735 20 0 BCADHN C[C@H](NCc1cn2cccnc2n1)C(C)(C)O ZINC000898122036 584084416 /nfs/dbraw/zinc/08/44/16/584084416.db2.gz BBLHWHMCQCNTNP-VIFPVBQESA-N 0 3 234.303 0.978 20 0 BCADHN CC(C)[NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898158309 584087519 /nfs/dbraw/zinc/08/75/19/584087519.db2.gz UASJGPGJBINTDC-VIFPVBQESA-N 0 3 222.292 0.759 20 0 BCADHN Cn1cncc1CNCC[C@H](O)C1CC1 ZINC000898206175 584091513 /nfs/dbraw/zinc/09/15/13/584091513.db2.gz MJKQBMWYYSAUEP-NSHDSACASA-N 0 3 209.293 0.671 20 0 BCADHN CCn1nnc(C)c1CNCC[C@H](O)C1CC1 ZINC000898197918 584097744 /nfs/dbraw/zinc/09/77/44/584097744.db2.gz KUSSQSFLDOUTHK-LBPRGKRZSA-N 0 3 238.335 0.857 20 0 BCADHN Cc1cnn(C)c1CNCC[C@@H](O)C1CC1 ZINC000898198629 584098211 /nfs/dbraw/zinc/09/82/11/584098211.db2.gz SCILSGUUCGESST-GFCCVEGCSA-N 0 3 223.320 0.979 20 0 BCADHN Cc1c[nH]nc1CNCC[C@@H](O)C1CC1 ZINC000898198783 584098223 /nfs/dbraw/zinc/09/82/23/584098223.db2.gz UPYQXRUSBSIFML-LLVKDONJSA-N 0 3 209.293 0.969 20 0 BCADHN CCn1nncc1CNCC[C@@H](O)C1CC1 ZINC000898198379 584098325 /nfs/dbraw/zinc/09/83/25/584098325.db2.gz CVERMRLTEGVGNM-LLVKDONJSA-N 0 3 224.308 0.549 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@@H]1Nc1ccnc(CO)c1 ZINC000858462033 588956902 /nfs/dbraw/zinc/95/69/02/588956902.db2.gz RJYCJLZELNTGAD-NEPJUHHUSA-N 0 3 249.314 0.901 20 0 BCADHN O=C1CC[C@@H]2CN(c3ccnc(CO)c3)CCN12 ZINC000858460701 588957047 /nfs/dbraw/zinc/95/70/47/588957047.db2.gz CPRCDDHJDYHLFN-GFCCVEGCSA-N 0 3 247.298 0.385 20 0 BCADHN CN(C)C(=O)NCCNc1ccnc(CO)c1 ZINC000858465927 588957601 /nfs/dbraw/zinc/95/76/01/588957601.db2.gz QPJIBJRZCHAHBN-UHFFFAOYSA-N 0 3 238.291 0.257 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1COC[C@@H]1C1CC1 ZINC000898382564 584114507 /nfs/dbraw/zinc/11/45/07/584114507.db2.gz ZMKPZGYMACLMQI-IEBDPFPHSA-N 0 3 247.360 0.434 20 0 BCADHN CC[C@H](O)CN1CCCC[C@@H]1C1OCCO1 ZINC000730081790 584122584 /nfs/dbraw/zinc/12/25/84/584122584.db2.gz YPFCFYTXQKTIDS-WDEREUQCSA-N 0 3 229.320 0.985 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)C(=O)OCC ZINC000730106333 584123696 /nfs/dbraw/zinc/12/36/96/584123696.db2.gz XXJOGJSCBZDEAB-SECBINFHSA-N 0 3 230.308 0.396 20 0 BCADHN CN(C)CCNC(=S)N(C)[C@H]1CCOC1 ZINC000730156862 584125251 /nfs/dbraw/zinc/12/52/51/584125251.db2.gz USGSEKZTTFMOJQ-VIFPVBQESA-N 0 3 231.365 0.143 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CSC(=O)N1 ZINC000746259073 584129757 /nfs/dbraw/zinc/12/97/57/584129757.db2.gz KICYOMQXLQLASP-SFYZADRCSA-N 0 3 243.332 0.022 20 0 BCADHN C[C@H](C[S@](C)=O)Nc1ccnc(CO)c1 ZINC000858482958 588959478 /nfs/dbraw/zinc/95/94/78/588959478.db2.gz XZFSCFOHMUIIQW-GLEZIHRCSA-N 0 3 228.317 0.753 20 0 BCADHN CCN(C)C(=O)CNc1ccnc(CO)c1 ZINC000858488896 588960202 /nfs/dbraw/zinc/96/02/02/588960202.db2.gz NAHRWPYWVKVSNS-UHFFFAOYSA-N 0 3 223.276 0.464 20 0 BCADHN C[C@H](Nc1ccnc(CO)c1)c1ncnn1C ZINC000858512992 588961977 /nfs/dbraw/zinc/96/19/77/588961977.db2.gz GCWVFXYLXDHRCI-QMMMGPOBSA-N 0 3 233.275 0.876 20 0 BCADHN CCN(C)C(=O)[C@@H](C)Nc1ccnc(CO)c1 ZINC000858514904 588962032 /nfs/dbraw/zinc/96/20/32/588962032.db2.gz YOPYQTFKYULLLZ-SECBINFHSA-N 0 3 237.303 0.853 20 0 BCADHN O=C1C[C@]2(CCN(c3ccnc(CO)c3)C2)CN1 ZINC000858519568 588962308 /nfs/dbraw/zinc/96/23/08/588962308.db2.gz GGFLESJHWUSHRX-CYBMUJFWSA-N 0 3 247.298 0.290 20 0 BCADHN COCC[C@H](CO)Nc1ccnc(CO)c1 ZINC000858529969 588963133 /nfs/dbraw/zinc/96/31/33/588963133.db2.gz ZTYGXWPLWOLMCV-SNVBAGLBSA-N 0 3 226.276 0.383 20 0 BCADHN NC(=O)C[C@@H]1CCN(c2ccnc(CO)c2)C1 ZINC000858546771 588964259 /nfs/dbraw/zinc/96/42/59/588964259.db2.gz ADFNMVJTUHIZOJ-VIFPVBQESA-N 0 3 235.287 0.276 20 0 BCADHN CC(C)N(C)CC(=O)N[C@]12C[C@H]1COC2 ZINC000899249062 584188384 /nfs/dbraw/zinc/18/83/84/584188384.db2.gz INMVXIDCLOQXMB-ONGXEEELSA-N 0 3 212.293 0.232 20 0 BCADHN CCCN(CC(N)=O)c1ccnc(CO)c1 ZINC000858551715 588964793 /nfs/dbraw/zinc/96/47/93/588964793.db2.gz CPZNEUCQZMUHAU-UHFFFAOYSA-N 0 3 223.276 0.276 20 0 BCADHN Cc1ccc(N2C(=O)N[C@@H](CN(C)C)C2=O)cn1 ZINC000899304703 584195862 /nfs/dbraw/zinc/19/58/62/584195862.db2.gz BRCNKKUDWDIFOO-JTQLQIEISA-N 0 3 248.286 0.376 20 0 BCADHN CNC(=O)[C@H](C)Nc1ccnc(CO)c1 ZINC000858553435 588964946 /nfs/dbraw/zinc/96/49/46/588964946.db2.gz USBREFPSWWOCTG-ZETCQYMHSA-N 0 3 209.249 0.120 20 0 BCADHN Cn1ncc(-c2c(Cl)cnn2C)c1CN ZINC000899324839 584196456 /nfs/dbraw/zinc/19/64/56/584196456.db2.gz QPSVMCNGIWTLSN-UHFFFAOYSA-N 0 3 225.683 0.933 20 0 BCADHN c1cncc(-c2cnc(N3CCNCC3)cn2)c1 ZINC000899318908 584196529 /nfs/dbraw/zinc/19/65/29/584196529.db2.gz DQFXMCJRXLQBOR-UHFFFAOYSA-N 0 3 241.298 0.948 20 0 BCADHN O=C1COc2cc(C=C3CNC3)cnc2N1 ZINC000899327811 584197929 /nfs/dbraw/zinc/19/79/29/584197929.db2.gz IAJLAAYJYXVTEZ-UHFFFAOYSA-N 0 3 217.228 0.399 20 0 BCADHN OCc1cc(N2CC[C@@](O)(C(F)F)C2)ccn1 ZINC000858559725 588965572 /nfs/dbraw/zinc/96/55/72/588965572.db2.gz MLCWFPODZZQXFT-NSHDSACASA-N 0 3 244.241 0.780 20 0 BCADHN COCc1cc(N2CCN3CC[C@H]2C3)ncn1 ZINC000858556777 588965737 /nfs/dbraw/zinc/96/57/37/588965737.db2.gz BSYNYJRHTHJRGX-NSHDSACASA-N 0 3 234.303 0.517 20 0 BCADHN OCc1cc(N[C@@H]2CCC[C@H]2O)ccn1 ZINC000858565727 588965745 /nfs/dbraw/zinc/96/57/45/588965745.db2.gz ABMSYHSLPJRRKO-GHMZBOCLSA-N 0 3 208.261 0.899 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)N(C)C ZINC000899389569 584209403 /nfs/dbraw/zinc/20/94/03/584209403.db2.gz AFFCYDQZKVKAKB-USZNOCQGSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@@H](CNC(=S)Nc1cnn(C)c1)N(C)C ZINC000899453679 584216288 /nfs/dbraw/zinc/21/62/88/584216288.db2.gz KYTHUMVVDJIYOH-QMMMGPOBSA-N 0 3 241.364 0.657 20 0 BCADHN CN1CC[C@@H](NC(=S)Nc2cnn(C)c2)C1 ZINC000899459822 584216576 /nfs/dbraw/zinc/21/65/76/584216576.db2.gz JHGNXZXKDFAFPK-MRVPVSSYSA-N 0 3 239.348 0.411 20 0 BCADHN NC(=O)[C@@H]1CC[C@H](Nc2ccnc(CO)c2)C1 ZINC000858565100 588966706 /nfs/dbraw/zinc/96/67/06/588966706.db2.gz GUEQNDVIRRPHQM-BDAKNGLRSA-N 0 3 235.287 0.640 20 0 BCADHN CN1CCC(NC(=S)N2CC[C@H]2CO)CC1 ZINC000899656856 584223207 /nfs/dbraw/zinc/22/32/07/584223207.db2.gz FZPGLRMZNVRRJD-JTQLQIEISA-N 0 3 243.376 0.022 20 0 BCADHN CC(C)COCCC(=O)NCCN(C)CCO ZINC000899731724 584228309 /nfs/dbraw/zinc/22/83/09/584228309.db2.gz ICJJICLJRFEAHK-UHFFFAOYSA-N 0 3 246.351 0.089 20 0 BCADHN CN(CCO)CCNC(=O)c1ccccc1F ZINC000899726654 584229987 /nfs/dbraw/zinc/22/99/87/584229987.db2.gz UCNAJOKCGMVICD-UHFFFAOYSA-N 0 3 240.278 0.480 20 0 BCADHN Cc1occc1C(=O)NCCN(C)CCO ZINC000899727567 584230097 /nfs/dbraw/zinc/23/00/97/584230097.db2.gz DZSLXZDTTLUYGC-UHFFFAOYSA-N 0 3 226.276 0.242 20 0 BCADHN CCC[C@@H](O)[C@@H](CO)Nc1ccnc(CO)c1 ZINC000858568789 588967375 /nfs/dbraw/zinc/96/73/75/588967375.db2.gz XETVQVYPJLJEMQ-VXGBXAGGSA-N 0 3 240.303 0.508 20 0 BCADHN CCC/C(C)=C/C(=O)NCCN(C)CCO ZINC000899734779 584231513 /nfs/dbraw/zinc/23/15/13/584231513.db2.gz RXKUYKDYFNETIU-ZHACJKMWSA-N 0 3 228.336 0.773 20 0 BCADHN C[C@@H]1CC[C@H](CC(=O)NCCN(C)CCO)C1 ZINC000899734815 584231564 /nfs/dbraw/zinc/23/15/64/584231564.db2.gz TZTRZCYYYOMBFD-NEPJUHHUSA-N 0 3 242.363 0.853 20 0 BCADHN C[C@H]1CC[C@H](C(=O)NCCN(C)CCO)C1 ZINC000899736522 584231731 /nfs/dbraw/zinc/23/17/31/584231731.db2.gz IPCJRXIAYLHMSX-QWRGUYRKSA-N 0 3 228.336 0.463 20 0 BCADHN CN(CCO)CCNC(=O)[C@@H]1CCCC1(C)C ZINC000899738226 584232287 /nfs/dbraw/zinc/23/22/87/584232287.db2.gz XMQJULKHXZQFEK-NSHDSACASA-N 0 3 242.363 0.853 20 0 BCADHN C/C=C(/CC)C(=O)NCCN(C)CCO ZINC000899737835 584232717 /nfs/dbraw/zinc/23/27/17/584232717.db2.gz PEUNEQAGAIEAEC-WMZJFQQLSA-N 0 3 214.309 0.383 20 0 BCADHN Cc1ccoc1CC(=O)NCCN(C)CCO ZINC000899740805 584233875 /nfs/dbraw/zinc/23/38/75/584233875.db2.gz OAMNUHSGCVJZCK-UHFFFAOYSA-N 0 3 240.303 0.171 20 0 BCADHN CSC(C)(C)C(=O)NCCN(C)CCO ZINC000899740960 584234165 /nfs/dbraw/zinc/23/41/65/584234165.db2.gz KMCOPZDORSVISM-UHFFFAOYSA-N 0 3 234.365 0.168 20 0 BCADHN CN(CCO)CCNC(=O)C1CCSCC1 ZINC000899733602 584234612 /nfs/dbraw/zinc/23/46/12/584234612.db2.gz FCDWQCNFUUXCPK-UHFFFAOYSA-N 0 3 246.376 0.170 20 0 BCADHN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCCN(C)CCO ZINC000899742159 584234809 /nfs/dbraw/zinc/23/48/09/584234809.db2.gz PSOXZFNITWMRFK-RHYQMDGZSA-N 0 3 240.347 0.319 20 0 BCADHN C[C@@H]1CC/C(=C/C(=O)NCCN(C)CCO)C1 ZINC000899734331 584235305 /nfs/dbraw/zinc/23/53/05/584235305.db2.gz APQKMDDFKQUUNS-JPQYHBGPSA-N 0 3 240.347 0.773 20 0 BCADHN C[C@@H]1CC/C(=C\C(=O)NCCN(C)CCO)C1 ZINC000899734332 584235552 /nfs/dbraw/zinc/23/55/52/584235552.db2.gz APQKMDDFKQUUNS-KPMWUXBGSA-N 0 3 240.347 0.773 20 0 BCADHN CC[C@](C)(N)c1cn(-c2ncccn2)nn1 ZINC000899745731 584235823 /nfs/dbraw/zinc/23/58/23/584235823.db2.gz UKLQTFPFAYEAKG-JTQLQIEISA-N 0 3 218.264 0.641 20 0 BCADHN O[C@H](CNCc1ccncc1)C1(O)CCC1 ZINC000899855309 584243293 /nfs/dbraw/zinc/24/32/93/584243293.db2.gz FJHIFRUXCCDLLR-LLVKDONJSA-N 0 3 222.288 0.447 20 0 BCADHN CCn1cc(CN2CC[C@H]3[C@@H]2CCCN3C)nn1 ZINC000899889778 584247583 /nfs/dbraw/zinc/24/75/83/584247583.db2.gz OLNUMUVETLGXLB-STQMWFEESA-N 0 3 249.362 0.967 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1COC2(CCC2)C1 ZINC000858580583 588968877 /nfs/dbraw/zinc/96/88/77/588968877.db2.gz RVCSFZSJOQAORJ-UWVGGRQHSA-N 0 3 242.319 0.696 20 0 BCADHN COCC[C@H](C)N[C@@H](C)C(=O)N(C)OC ZINC000858579836 588968885 /nfs/dbraw/zinc/96/88/85/588968885.db2.gz UMCGBDZUVBNZFP-IUCAKERBSA-N 0 3 218.297 0.409 20 0 BCADHN Cc1[nH]nc(Cl)c1C(=O)NCCN(C)C ZINC000899919624 584252307 /nfs/dbraw/zinc/25/23/07/584252307.db2.gz CTNVDKMEDVXFQK-UHFFFAOYSA-N 0 3 230.699 0.663 20 0 BCADHN CCCCNC(=O)C[C@]1(O)CCCN(C)C1 ZINC000899917370 584254912 /nfs/dbraw/zinc/25/49/12/584254912.db2.gz HVAXXOQHJIGDGB-GFCCVEGCSA-N 0 3 228.336 0.750 20 0 BCADHN CN1CCC[C@@](O)(CC(=O)NC2CC2)C1 ZINC000899928185 584255647 /nfs/dbraw/zinc/25/56/47/584255647.db2.gz ZBUKADGCSFIMDW-LLVKDONJSA-N 0 3 212.293 0.112 20 0 BCADHN CN1CCC[C@](O)(CC(=O)NC2CCCC2)C1 ZINC000899929002 584256130 /nfs/dbraw/zinc/25/61/30/584256130.db2.gz YVRVJOUBAZMCCK-ZDUSSCGKSA-N 0 3 240.347 0.892 20 0 BCADHN CCCNC(=O)C[C@]1(O)CCCN(C)C1 ZINC000899932772 584257068 /nfs/dbraw/zinc/25/70/68/584257068.db2.gz YZIAOOUPWAIVOV-LLVKDONJSA-N 0 3 214.309 0.359 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@H](C)C(=O)N(C)OC ZINC000858587898 588969609 /nfs/dbraw/zinc/96/96/09/588969609.db2.gz XXDVPKQTRSEABX-IWSPIJDZSA-N 0 3 218.297 0.408 20 0 BCADHN COCC[C@H](C)N[C@H](C)C(=O)N(C)OC ZINC000858587655 588969677 /nfs/dbraw/zinc/96/96/77/588969677.db2.gz UMCGBDZUVBNZFP-DTWKUNHWSA-N 0 3 218.297 0.409 20 0 BCADHN CON(C)C(=O)[C@@H](C)NC1CCOCC1 ZINC000858586438 588969744 /nfs/dbraw/zinc/96/97/44/588969744.db2.gz HTYBDNWGWBZFBZ-MRVPVSSYSA-N 0 3 216.281 0.163 20 0 BCADHN COC[C@H](N[C@H](C)C(=O)N(C)OC)C(C)C ZINC000858588045 588969845 /nfs/dbraw/zinc/96/98/45/588969845.db2.gz YTVJPEZEEKEGPK-ZJUUUORDSA-N 0 3 232.324 0.655 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H](C)[C@H]1CCCO1 ZINC000858586827 588969857 /nfs/dbraw/zinc/96/98/57/588969857.db2.gz HILZRBMQIUXDAI-IVZWLZJFSA-N 0 3 230.308 0.552 20 0 BCADHN C[C@@H](NC(=O)C[C@]1(O)CCCN(C)C1)C1CC1 ZINC000899982382 584262233 /nfs/dbraw/zinc/26/22/33/584262233.db2.gz JLGRJYGSODNUAV-ZWNOBZJWSA-N 0 3 240.347 0.748 20 0 BCADHN CCC/C=C\[C@H](O)C(=O)NC1CCN(C)CC1 ZINC000900002469 584263221 /nfs/dbraw/zinc/26/32/21/584263221.db2.gz UVVPMZKMOFDSBH-FJOGCWAESA-N 0 3 240.347 0.914 20 0 BCADHN C/C=C\[C@H](O)C(=O)NC[C@@H]1CCCN1CC ZINC000900010194 584265749 /nfs/dbraw/zinc/26/57/49/584265749.db2.gz UPFYSRDVFWILOL-QRAOYFGOSA-N 0 3 226.320 0.524 20 0 BCADHN Cn1cnc(CCCNc2ccnc(CO)c2)n1 ZINC000858597195 588970203 /nfs/dbraw/zinc/97/02/03/588970203.db2.gz WBCKHFOUXVOHLF-UHFFFAOYSA-N 0 3 247.302 0.747 20 0 BCADHN C/C=C\[C@@H](O)C(=O)NC1CCN(C2CC2)CC1 ZINC000900054012 584268501 /nfs/dbraw/zinc/26/85/01/584268501.db2.gz KFNKEBZBFZYBFR-ZZKXABKFSA-N 0 3 238.331 0.666 20 0 BCADHN C[C@@H]1CN(C(=O)C23CCN(CC2)C3)CCO1 ZINC000900048909 584268767 /nfs/dbraw/zinc/26/87/67/584268767.db2.gz LGHLYPUDUDRWLT-SNVBAGLBSA-N 0 3 224.304 0.330 20 0 BCADHN CON(C)C(=O)c1ccnn1CCN(C)C ZINC000900072974 584269169 /nfs/dbraw/zinc/26/91/69/584269169.db2.gz GQIKVWBDNSCWDQ-UHFFFAOYSA-N 0 3 226.280 0.078 20 0 BCADHN Cc1ncc(C(=O)NCc2cn[nH]c2C)n1C ZINC000900117594 584274887 /nfs/dbraw/zinc/27/48/87/584274887.db2.gz CVNNCFJCAKVVND-UHFFFAOYSA-N 0 3 233.275 0.690 20 0 BCADHN CCN(C(=O)C[C@@]1(O)CCCN(C)C1)C1CC1 ZINC000900105339 584275820 /nfs/dbraw/zinc/27/58/20/584275820.db2.gz PLBVRJHMLMKZDS-ZDUSSCGKSA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)[C@@H]1NC(=O)N(C[C@@H]2CCCN2C)C1=O ZINC000900124652 584276158 /nfs/dbraw/zinc/27/61/58/584276158.db2.gz OJGUUEPINHTAMC-UWVGGRQHSA-N 0 3 239.319 0.657 20 0 BCADHN C[C@H](CCO)N(C)c1ccnc(CO)c1 ZINC000858608193 588971142 /nfs/dbraw/zinc/97/11/42/588971142.db2.gz JRHPNVQLLHIVKO-SECBINFHSA-N 0 3 210.277 0.781 20 0 BCADHN C[C@@H](CCO)N(C)c1ccnc(CO)c1 ZINC000858608194 588971160 /nfs/dbraw/zinc/97/11/60/588971160.db2.gz JRHPNVQLLHIVKO-VIFPVBQESA-N 0 3 210.277 0.781 20 0 BCADHN C[C@H](CNC(=O)c1n[nH]cc1F)N(C)C ZINC000900163396 584281303 /nfs/dbraw/zinc/28/13/03/584281303.db2.gz OSPYOWYXRJXGBW-ZCFIWIBFSA-N 0 3 214.244 0.229 20 0 BCADHN CCc1nnc(C(=O)NC[C@H](C)N(C)C)s1 ZINC000900163964 584281887 /nfs/dbraw/zinc/28/18/87/584281887.db2.gz WEJKBNPMILMTAA-ZETCQYMHSA-N 0 3 242.348 0.780 20 0 BCADHN CCc1nnc(C(=O)NC[C@@H](C)N(C)C)s1 ZINC000900163963 584282007 /nfs/dbraw/zinc/28/20/07/584282007.db2.gz WEJKBNPMILMTAA-SSDOTTSWSA-N 0 3 242.348 0.780 20 0 BCADHN C[C@@H](Cn1cccn1)NC(=O)C12CCN(CC1)C2 ZINC000900189425 584285000 /nfs/dbraw/zinc/28/50/00/584285000.db2.gz YUEYENYKGNRRSF-NSHDSACASA-N 0 3 248.330 0.484 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)C[C@]1(O)CCCN(C)C1 ZINC000900203370 584285700 /nfs/dbraw/zinc/28/57/00/584285700.db2.gz HBQGXGHCKIIAJQ-NTZNESFSSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H](O)[C@H]1CCCN1c1ccnc(CO)c1 ZINC000858628623 588971827 /nfs/dbraw/zinc/97/18/27/588971827.db2.gz WCVLVYZHCHFIGU-JOYOIKCWSA-N 0 3 222.288 0.924 20 0 BCADHN CN1CCN(c2ccnc(CO)c2)CCC1=O ZINC000858629522 588971848 /nfs/dbraw/zinc/97/18/48/588971848.db2.gz SREYXVDZKUZDDK-UHFFFAOYSA-N 0 3 235.287 0.242 20 0 BCADHN Cn1cc(NC(=O)C23CCN(CC2)C3)ccc1=O ZINC000900305979 584293545 /nfs/dbraw/zinc/29/35/45/584293545.db2.gz MJBJNMIOXIIMEN-UHFFFAOYSA-N 0 3 247.298 0.420 20 0 BCADHN CC[C@@H](O)[C@H](C)C(=O)NCCN(C)C1CC1 ZINC000900366704 584296987 /nfs/dbraw/zinc/29/69/87/584296987.db2.gz DRVKULOXYZJSOI-GXSJLCMTSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@@H](O)[C@@H](C)C(=O)NCCN(C)C1CC1 ZINC000900366706 584297002 /nfs/dbraw/zinc/29/70/02/584297002.db2.gz DRVKULOXYZJSOI-MWLCHTKSSA-N 0 3 228.336 0.604 20 0 BCADHN CCCN(C)C(=O)C[C@]1(O)CCCN(C)C1 ZINC000900426543 584307920 /nfs/dbraw/zinc/30/79/20/584307920.db2.gz DRNOPQKYPGSRGX-GFCCVEGCSA-N 0 3 228.336 0.702 20 0 BCADHN CCn1ncc(CNc2ccnc(CO)c2)n1 ZINC000858652728 588973334 /nfs/dbraw/zinc/97/33/34/588973334.db2.gz XWONELXVGWCQTO-UHFFFAOYSA-N 0 3 233.275 0.797 20 0 BCADHN O=C(Nc1ccc[nH]c1=O)C12CCN(CC1)C2 ZINC000900442407 584310979 /nfs/dbraw/zinc/31/09/79/584310979.db2.gz NSFXJXJLHTXDLH-UHFFFAOYSA-N 0 3 233.271 0.822 20 0 BCADHN C[C@H]1CCN(C(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900483069 584315916 /nfs/dbraw/zinc/31/59/16/584315916.db2.gz AMKBURWUUVZKRS-WCQYABFASA-N 0 3 240.347 0.702 20 0 BCADHN COCCN(C)CCNC(=O)/C=C(/C)Cl ZINC000900516304 584320538 /nfs/dbraw/zinc/32/05/38/584320538.db2.gz AMEDWZYAYDOGIZ-HJWRWDBZSA-N 0 3 234.727 0.823 20 0 BCADHN C/C=C\[C@@H](O)C(=O)N(C)C1CCN(CC)CC1 ZINC000900518226 584320696 /nfs/dbraw/zinc/32/06/96/584320696.db2.gz OHYQTXQRWMBISO-TXNVCOODSA-N 0 3 240.347 0.866 20 0 BCADHN CC[C@@H](O)[C@H](C)C(=O)NCCN(C)CCOC ZINC000900518437 584320908 /nfs/dbraw/zinc/32/09/08/584320908.db2.gz PUBBWFUBSBWOBK-WDEREUQCSA-N 0 3 246.351 0.088 20 0 BCADHN C/C=C/[C@@H](O)C(=O)N(C)C1CCN(CC)CC1 ZINC000900518219 584320974 /nfs/dbraw/zinc/32/09/74/584320974.db2.gz OHYQTXQRWMBISO-FVOPLDGLSA-N 0 3 240.347 0.866 20 0 BCADHN OCc1cc(NC[C@H](O)[C@@H]2CCCO2)ccn1 ZINC000858690536 588974379 /nfs/dbraw/zinc/97/43/79/588974379.db2.gz VJPDPOCGJFGCKX-RYUDHWBXSA-N 0 3 238.287 0.526 20 0 BCADHN OCc1cc(NC[C@@H](O)[C@H]2CCCO2)ccn1 ZINC000858690537 588974408 /nfs/dbraw/zinc/97/44/08/588974408.db2.gz VJPDPOCGJFGCKX-VXGBXAGGSA-N 0 3 238.287 0.526 20 0 BCADHN CC[C@@H](O)[C@@H](C)C(=O)NCCN(CC)C1CC1 ZINC000900552532 584322593 /nfs/dbraw/zinc/32/25/93/584322593.db2.gz HISBWWBAOKAYGX-ZYHUDNBSSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)N1CCCN(C(=O)CC2COC2)CC1 ZINC000900539326 584323994 /nfs/dbraw/zinc/32/39/94/584323994.db2.gz CUOBATGCPXMEIY-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)C[C@]1(O)CCCN(C)C1 ZINC000900542817 584324623 /nfs/dbraw/zinc/32/46/23/584324623.db2.gz VZKCLZRSBHINGU-CKYFFXLPSA-N 0 3 226.320 0.358 20 0 BCADHN Cc1cc(NC[C@H](O)[C@H]2CCCO2)nc(N)n1 ZINC000858690674 588974880 /nfs/dbraw/zinc/97/48/80/588974880.db2.gz SINCRTRKEFWYAO-DTWKUNHWSA-N 0 3 238.291 0.319 20 0 BCADHN CN(CCN1CCCC1)C(=O)CCF ZINC000900560258 584328819 /nfs/dbraw/zinc/32/88/19/584328819.db2.gz JBHFTAKRNGIHSH-UHFFFAOYSA-N 0 3 202.273 0.900 20 0 BCADHN C/C=C/[C@@H](O)C(=O)N(CCC)CCN(C)C ZINC000900585944 584331624 /nfs/dbraw/zinc/33/16/24/584331624.db2.gz DQABCRNWYPKZED-OKPNEXGHSA-N 0 3 228.336 0.724 20 0 BCADHN CCn1cc(Cn2cc([C@](C)(N)CC)nn2)nn1 ZINC000900628247 584333525 /nfs/dbraw/zinc/33/35/25/584333525.db2.gz HLBKWXPIQNXZPA-LLVKDONJSA-N 0 3 249.322 0.522 20 0 BCADHN CCN1CCCN(C(=O)COC2CC2)CC1 ZINC000900635090 584333974 /nfs/dbraw/zinc/33/39/74/584333974.db2.gz XLCNHYYYDVBGOZ-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN CCOC(=O)[C@@H]1C[C@H]1Cn1cc([C@@H](C)N)nn1 ZINC000900632582 584334052 /nfs/dbraw/zinc/33/40/52/584334052.db2.gz LFSHQCYCMIVJCP-HRDYMLBCSA-N 0 3 238.291 0.497 20 0 BCADHN CN(C(=O)CC1COC1)[C@@H]1CCN(C2CC2)C1 ZINC000900663733 584337606 /nfs/dbraw/zinc/33/76/06/584337606.db2.gz FTDIVSYKAXVDSX-GFCCVEGCSA-N 0 3 238.331 0.718 20 0 BCADHN CN(C(=O)CCF)[C@H]1CN2CCC1CC2 ZINC000900663201 584338000 /nfs/dbraw/zinc/33/80/00/584338000.db2.gz STLPCGLVSKXFMR-JTQLQIEISA-N 0 3 214.284 0.899 20 0 BCADHN CCC/C=C\[C@H](O)C(=O)NC[C@H]1CCCN1C ZINC000900696482 584338871 /nfs/dbraw/zinc/33/88/71/584338871.db2.gz ZDLGPMDSZWBBAQ-MCTUQULKSA-N 0 3 240.347 0.914 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)NC[C@H]1CCCN1C ZINC000900695537 584338799 /nfs/dbraw/zinc/33/87/99/584338799.db2.gz QNYCOHFKEVGMJZ-AXFHLTTASA-N 0 3 228.336 0.604 20 0 BCADHN Cn1cccc(NC(=O)C23CCN(CC2)C3)c1=O ZINC000900672160 584339382 /nfs/dbraw/zinc/33/93/82/584339382.db2.gz MJKVEDGJXWUIMQ-UHFFFAOYSA-N 0 3 247.298 0.420 20 0 BCADHN C/C=C/[C@@H](O)C(=O)NCCN(C)CCCC ZINC000900671961 584339645 /nfs/dbraw/zinc/33/96/45/584339645.db2.gz GYKMLGXUVAEHRL-OKPNEXGHSA-N 0 3 228.336 0.772 20 0 BCADHN CN1CCC[C@](O)(CC(=O)N2CCC2(C)C)C1 ZINC000900788408 584352159 /nfs/dbraw/zinc/35/21/59/584352159.db2.gz XDBNZKUKFXJODK-ZDUSSCGKSA-N 0 3 240.347 0.844 20 0 BCADHN CN(C(=O)CCF)[C@@H]1CCCN(C)C1 ZINC000900828667 584354771 /nfs/dbraw/zinc/35/47/71/584354771.db2.gz JYROLEFRKIYKQX-SECBINFHSA-N 0 3 202.273 0.899 20 0 BCADHN CSC[C@H](C)NC(=O)C12CCN(CC1)C2 ZINC000900765041 584353727 /nfs/dbraw/zinc/35/37/27/584353727.db2.gz UIKSOLMSFKWDDP-VIFPVBQESA-N 0 3 228.361 0.950 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000900828682 584355046 /nfs/dbraw/zinc/35/50/46/584355046.db2.gz KAUDQIBKITZCTD-YFKTTZPYSA-N 0 3 242.363 0.992 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000900833374 584355706 /nfs/dbraw/zinc/35/57/06/584355706.db2.gz VUIXCQNPWMOMPI-ONMMUWTQSA-N 0 3 226.320 0.522 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000900833957 584355737 /nfs/dbraw/zinc/35/57/37/584355737.db2.gz YBPCSAZJLLSRFJ-WOPDTQHZSA-N 0 3 242.363 0.946 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000900833371 584355855 /nfs/dbraw/zinc/35/58/55/584355855.db2.gz VUIXCQNPWMOMPI-ASBRAAOASA-N 0 3 226.320 0.522 20 0 BCADHN CN(c1ccnc(CO)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000858815237 588977228 /nfs/dbraw/zinc/97/72/28/588977228.db2.gz NQEYGGLAAUQRCT-DKTWLAJQSA-N 0 3 235.287 0.274 20 0 BCADHN CN(C)CCN(C)C(=O)c1n[nH]cc1F ZINC000900925657 584366386 /nfs/dbraw/zinc/36/63/86/584366386.db2.gz CJHCNZRHTIPADN-UHFFFAOYSA-N 0 3 214.244 0.182 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)N(C)CCN(C)C ZINC000900926661 584366737 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584424386 /nfs/dbraw/zinc/42/43/86/584424386.db2.gz JWWDJJIVZKMUOW-PGLGOXFNSA-N 0 3 224.304 0.302 20 0 BCADHN C[C@]1(NC(=O)C23CCN(CC2)C3)CCCOC1 ZINC000901315682 584428727 /nfs/dbraw/zinc/42/87/27/584428727.db2.gz MPFNTXBIEMTUHS-LBPRGKRZSA-N 0 3 238.331 0.768 20 0 BCADHN CN1CCC(NC(=O)CSC2COC2)CC1 ZINC000901631644 584471525 /nfs/dbraw/zinc/47/15/25/584471525.db2.gz ABDXMVBESKBNCK-UHFFFAOYSA-N 0 3 244.360 0.329 20 0 BCADHN CN1CC[C@H](Cc2nc(-c3nc[nH]n3)no2)C1 ZINC000901914091 584503138 /nfs/dbraw/zinc/50/31/38/584503138.db2.gz WMAUVQJXSBITGS-SSDOTTSWSA-N 0 3 234.263 0.349 20 0 BCADHN Cn1cc(-c2noc(C[C@H]3CCN(C)C3)n2)cn1 ZINC000901923899 584506913 /nfs/dbraw/zinc/50/69/13/584506913.db2.gz UAFGCDIDCSORFF-SECBINFHSA-N 0 3 247.302 0.964 20 0 BCADHN CNc1ccccc1CNCCOCCO ZINC000902038040 584514835 /nfs/dbraw/zinc/51/48/35/584514835.db2.gz XMFYPPTUWIAXSM-UHFFFAOYSA-N 0 3 224.304 0.827 20 0 BCADHN O=C(NC1CCN(CCO)CC1)OCCF ZINC000859007193 588990271 /nfs/dbraw/zinc/99/02/71/588990271.db2.gz 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/nfs/dbraw/zinc/86/73/25/584867325.db2.gz DLNIPMSBDNCXDN-WDEREUQCSA-N 0 3 248.330 0.917 20 0 BCADHN Nc1ccc(CN2CCNC[C@@H]2C(F)F)nn1 ZINC000904350499 584868889 /nfs/dbraw/zinc/86/88/89/584868889.db2.gz NHLJLMRPDGRTQR-MRVPVSSYSA-N 0 3 243.261 0.098 20 0 BCADHN Nc1ccc(CNCCc2ccccn2)nn1 ZINC000904367457 584872903 /nfs/dbraw/zinc/87/29/03/584872903.db2.gz BDKJQBNTFAAFFI-UHFFFAOYSA-N 0 3 229.287 0.786 20 0 BCADHN CCC(CC)[C@H](O)CNCc1ccc(N)nn1 ZINC000904363548 584874443 /nfs/dbraw/zinc/87/44/43/584874443.db2.gz IKZSTDPNBHZNNV-LLVKDONJSA-N 0 3 238.335 0.946 20 0 BCADHN CC(C)OCCCNCc1ccc(N)nn1 ZINC000904364687 584875080 /nfs/dbraw/zinc/87/50/80/584875080.db2.gz OPIYRHLZDGXDSJ-UHFFFAOYSA-N 0 3 224.308 0.964 20 0 BCADHN CC[C@H](CO)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874833003 584883691 /nfs/dbraw/zinc/88/36/91/584883691.db2.gz INXRMYMEQKOGQI-WOPDTQHZSA-N 0 3 240.347 0.700 20 0 BCADHN Cc1ccnn1CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000876832646 584887500 /nfs/dbraw/zinc/88/75/00/584887500.db2.gz QLKLROYCHKXTGR-QWRGUYRKSA-N 0 3 236.319 0.400 20 0 BCADHN CN1CC[C@@H](CNC(=O)OCCF)C1 ZINC000859184707 589015379 /nfs/dbraw/zinc/01/53/79/589015379.db2.gz FKUDMALOVJYAJV-QMMMGPOBSA-N 0 3 204.245 0.634 20 0 BCADHN CN(CCNC(=O)N1C[C@@H]2C[C@@H]2C1)C1CC1 ZINC000888266521 584906966 /nfs/dbraw/zinc/90/69/66/584906966.db2.gz DARYINHHZVCSLL-AOOOYVTPSA-N 0 3 223.320 0.742 20 0 BCADHN C[C@@H]1C[C@@H](CNC(=O)[C@]2(F)CCNC2)CCO1 ZINC000831502634 584910114 /nfs/dbraw/zinc/91/01/14/584910114.db2.gz WOAPSEUXCYXKBN-SCVCMEIPSA-N 0 3 244.310 0.619 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)[C@@H](O)c1cccc(F)c1 ZINC000832120375 584910936 /nfs/dbraw/zinc/91/09/36/584910936.db2.gz CATMBVCPIONZBQ-SOCHQFKDSA-N 0 3 240.278 0.711 20 0 BCADHN CC(C)[C@@H](C)NC(=O)Cn1cc([C@H](C)N)nn1 ZINC000124306550 584912666 /nfs/dbraw/zinc/91/26/66/584912666.db2.gz UQJXCBRTOAEHSK-DTWKUNHWSA-N 0 3 239.323 0.459 20 0 BCADHN COCCN1CC[C@H](NC(=O)C[C@@H](C)OC)C1 ZINC000730789423 584915679 /nfs/dbraw/zinc/91/56/79/584915679.db2.gz NAMBGVUHHIASCS-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN COCCN1CC[C@@H](NC(=O)C[C@@H](C)OC)C1 ZINC000730789421 584915748 /nfs/dbraw/zinc/91/57/48/584915748.db2.gz NAMBGVUHHIASCS-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN CN(C)c1ncc(CN[C@H]2CCN(C)C2)cn1 ZINC000731450548 584926390 /nfs/dbraw/zinc/92/63/90/584926390.db2.gz JXMUANCLODBQPI-NSHDSACASA-N 0 3 235.335 0.336 20 0 BCADHN CO[C@@H](C)CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000732161064 584934524 /nfs/dbraw/zinc/93/45/24/584934524.db2.gz UIPLQZKHECMENW-JQWIXIFHSA-N 0 3 240.347 0.964 20 0 BCADHN COC[C@@H](O)CN1CCCC[C@@H]1C1OCCO1 ZINC000732695348 584939861 /nfs/dbraw/zinc/93/98/61/584939861.db2.gz HALYDYPQRCWRJF-WDEREUQCSA-N 0 3 245.319 0.221 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=S)NCCN(C)C ZINC000732725702 584940571 /nfs/dbraw/zinc/94/05/71/584940571.db2.gz ULFJNICQUAZONO-VHSXEESVSA-N 0 3 247.408 0.419 20 0 BCADHN O[C@@H](CN1CC2(C1)CCCOC2)C1CC1 ZINC000840762379 584950596 /nfs/dbraw/zinc/95/05/96/584950596.db2.gz CGWUUJOBVUJCLB-NSHDSACASA-N 0 3 211.305 0.870 20 0 BCADHN COCCN(C)CCCNC(=O)C1=COCC1 ZINC000734123416 584958300 /nfs/dbraw/zinc/95/83/00/584958300.db2.gz NOIVMXZNIMDBKE-UHFFFAOYSA-N 0 3 242.319 0.375 20 0 BCADHN COCCN1CC[C@@H](NC(=O)C2=COCC2)C1 ZINC000734128969 584958700 /nfs/dbraw/zinc/95/87/00/584958700.db2.gz WCBWBSNACLVKRE-LLVKDONJSA-N 0 3 240.303 0.128 20 0 BCADHN CN1CCC[C@@H]1C(=O)NC(C)(C)c1c[nH]nn1 ZINC000734756752 584967921 /nfs/dbraw/zinc/96/79/21/584967921.db2.gz HIAKZPBAOYHMIB-MRVPVSSYSA-N 0 3 237.307 0.250 20 0 BCADHN CC(C)OCC[C@H](O)CN1CCN(C)[C@@H](C)C1 ZINC000788065748 584968882 /nfs/dbraw/zinc/96/88/82/584968882.db2.gz DTKHLZOZOCTNJP-STQMWFEESA-N 0 3 244.379 0.798 20 0 BCADHN CC(C)N(C)CCNC(=O)NCC[S@](C)=O ZINC000735100405 584972873 /nfs/dbraw/zinc/97/28/73/584972873.db2.gz SEMWTXFGWDORRO-INIZCTEOSA-N 0 3 249.380 0.004 20 0 BCADHN CN(CCNC(=O)c1ncccn1)C1CC1 ZINC000735854541 584982749 /nfs/dbraw/zinc/98/27/49/584982749.db2.gz UWWOZUNJCKLZQG-UHFFFAOYSA-N 0 3 220.276 0.301 20 0 BCADHN CN1CCC(NC(=O)/C=C\[C@@H]2CCCO2)CC1 ZINC000819027520 584998693 /nfs/dbraw/zinc/99/86/93/584998693.db2.gz DZMBAWVSDGXAGM-RXNFCKPNSA-N 0 3 238.331 0.932 20 0 BCADHN CN(C)C1(C(=O)NC2CC(CCO)C2)CCC1 ZINC000889979897 585012430 /nfs/dbraw/zinc/01/24/30/585012430.db2.gz YTPFLRMDFRBZGH-UHFFFAOYSA-N 0 3 240.347 0.748 20 0 BCADHN CNC(=O)[C@@H]1CCCN(C[C@@H]2CCC(=O)O2)C1 ZINC000821374908 585015994 /nfs/dbraw/zinc/01/59/94/585015994.db2.gz RJBRMJSTLZGJDN-ZJUUUORDSA-N 0 3 240.303 0.150 20 0 BCADHN O=C1CN(CCN2CCCCC2)CCCN1 ZINC000736946805 585019914 /nfs/dbraw/zinc/01/99/14/585019914.db2.gz USDMFBKCMTTXJW-UHFFFAOYSA-N 0 3 225.336 0.294 20 0 BCADHN CC1(C)CCN(CCNC(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000890068233 585020694 /nfs/dbraw/zinc/02/06/94/585020694.db2.gz KEESJNPSLVAMTI-PHIMTYICSA-N 0 3 240.347 0.605 20 0 BCADHN CN(C)CC(C)(C)NC(=O)COC(F)(F)F ZINC000822287539 585026023 /nfs/dbraw/zinc/02/60/23/585026023.db2.gz RYXZOXGYYRVDMK-UHFFFAOYSA-N 0 3 242.241 0.979 20 0 BCADHN CN(CCCO)C1CC[NH+](CCC(=O)[O-])CC1 ZINC000737439253 585032344 /nfs/dbraw/zinc/03/23/44/585032344.db2.gz IFUNVVBLTKJXTG-UHFFFAOYSA-N 0 3 244.335 0.240 20 0 BCADHN COCCN(C)CCN[C@@H](C)c1c[nH]nc1C ZINC000180404201 585033103 /nfs/dbraw/zinc/03/31/03/585033103.db2.gz ZSJPJLUBLQWHLV-JTQLQIEISA-N 0 3 240.351 0.947 20 0 BCADHN CON(C)C(=O)CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000774709522 585033489 /nfs/dbraw/zinc/03/34/89/585033489.db2.gz PVPPXINZPHVBBG-GHMZBOCLSA-N 0 3 242.319 0.365 20 0 BCADHN CON(C)C(=O)CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000774709539 585033639 /nfs/dbraw/zinc/03/36/39/585033639.db2.gz PVPPXINZPHVBBG-WDEREUQCSA-N 0 3 242.319 0.365 20 0 BCADHN CO[C@H]1CC[C@@H]1N(C)C(=O)C1CCN(C)CC1 ZINC000889319576 585037345 /nfs/dbraw/zinc/03/73/45/585037345.db2.gz YZQOKZUTQKVRCN-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1CC(=O)N(CN2CCC[C@@H](N(C)C)C2)C1 ZINC000738142292 585041433 /nfs/dbraw/zinc/04/14/33/585041433.db2.gz BWGWNAQINGOTGO-VXGBXAGGSA-N 0 3 239.363 0.838 20 0 BCADHN CCONC(=O)NC[C@H]1CCCN1CCCO ZINC000838555838 585060365 /nfs/dbraw/zinc/06/03/65/585060365.db2.gz IWEGLGGAJNZLPH-SNVBAGLBSA-N 0 3 245.323 0.084 20 0 BCADHN CCONC(=O)NC[C@H]1CCCCN1CCO ZINC000838558625 585060643 /nfs/dbraw/zinc/06/06/43/585060643.db2.gz ZBXPZTMBGYWDKO-SNVBAGLBSA-N 0 3 245.323 0.084 20 0 BCADHN CCCNC(=O)CN(CCC)C[C@H](O)C1CC1 ZINC000838793398 585068578 /nfs/dbraw/zinc/06/85/78/585068578.db2.gz MUJIMJIRMFVSKV-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN CCn1ncc(CN2CC[C@H](N3CCCC3)C2)n1 ZINC000838811538 585071094 /nfs/dbraw/zinc/07/10/94/585071094.db2.gz WHDXRBJAJXVRNQ-ZDUSSCGKSA-N 0 3 249.362 0.968 20 0 BCADHN CCOC(=O)CC(C)(C)CN1C[C@@H](O)[C@@H](O)C1 ZINC000838840551 585073688 /nfs/dbraw/zinc/07/36/88/585073688.db2.gz BANUKYVIJKXAAL-AOOOYVTPSA-N 0 3 245.319 0.003 20 0 BCADHN COCCN(CCC(=O)OC)C[C@H](O)C1CC1 ZINC000838846139 585074002 /nfs/dbraw/zinc/07/40/02/585074002.db2.gz DMSKFUFQUVTJMV-NSHDSACASA-N 0 3 245.319 0.269 20 0 BCADHN O[C@@H](CN1CCOC[C@H]1C1CC1)C1CC1 ZINC000838906413 585077498 /nfs/dbraw/zinc/07/74/98/585077498.db2.gz LHEAQXWNLRZFPM-RYUDHWBXSA-N 0 3 211.305 0.868 20 0 BCADHN CCn1ncc(CNC[C@@H]2CCCN2C)n1 ZINC000838914580 585077975 /nfs/dbraw/zinc/07/79/75/585077975.db2.gz ADOXBKSSADLGTK-NSHDSACASA-N 0 3 223.324 0.482 20 0 BCADHN CCOCCOCCN(C)C[C@@H](O)C1CC1 ZINC000838960556 585082260 /nfs/dbraw/zinc/08/22/60/585082260.db2.gz AGGSGVAMJMZCGN-GFCCVEGCSA-N 0 3 231.336 0.742 20 0 BCADHN O=c1[nH]ccc2c1CN(C[C@H](O)C1CC1)CC2 ZINC000838967618 585082906 /nfs/dbraw/zinc/08/29/06/585082906.db2.gz VFXMUCPDXFUNBL-LBPRGKRZSA-N 0 3 234.299 0.916 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)C[C@@H](O)C1CC1 ZINC000838971514 585083253 /nfs/dbraw/zinc/08/32/53/585083253.db2.gz MGQQBYFJNOSPGC-VXGBXAGGSA-N 0 3 231.336 0.475 20 0 BCADHN CC(C)CC[C@@H](O)CN1CCCN(C=O)CC1 ZINC000839022503 585087624 /nfs/dbraw/zinc/08/76/24/585087624.db2.gz WTBZBMCIUZDJNM-CYBMUJFWSA-N 0 3 242.363 0.948 20 0 BCADHN CCn1ncc(CNC(C)(C)CN(C)C)n1 ZINC000839130638 585093510 /nfs/dbraw/zinc/09/35/10/585093510.db2.gz WFVSBQIAANYOHW-UHFFFAOYSA-N 0 3 225.340 0.728 20 0 BCADHN CCn1ncc(CN2C[C@@H]3CCN(C)[C@@H]3C2)n1 ZINC000839130052 585093741 /nfs/dbraw/zinc/09/37/41/585093741.db2.gz RUZGPTJJLNGJNV-CMPLNLGQSA-N 0 3 235.335 0.434 20 0 BCADHN CON(C)C(=O)CN1CCCC[C@@H]1C1(O)CC1 ZINC000839142035 585094802 /nfs/dbraw/zinc/09/48/02/585094802.db2.gz FIXNTYNYCXVYEZ-SNVBAGLBSA-N 0 3 242.319 0.386 20 0 BCADHN OC[C@H]1CN(Cc2ccc(CF)cc2)C[C@@H]1O ZINC000839172814 585096367 /nfs/dbraw/zinc/09/63/67/585096367.db2.gz RCOTVEMAVOEXMV-OLZOCXBDSA-N 0 3 239.290 0.941 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCC1(O)CCCCC1 ZINC000839200539 585099245 /nfs/dbraw/zinc/09/92/45/585099245.db2.gz XFKUSCIXJNDGSD-WDEREUQCSA-N 0 3 229.320 0.685 20 0 BCADHN CC[S@@](=O)CCNC(=O)NCCCN(C)C ZINC000741073683 585110020 /nfs/dbraw/zinc/11/00/20/585110020.db2.gz OFNWRKROWUPSSO-MRXNPFEDSA-N 0 3 249.380 0.006 20 0 BCADHN Cc1n[nH]c(CN[C@@H]2CCOC[C@H]2O)c1C ZINC000886171989 585110455 /nfs/dbraw/zinc/11/04/55/585110455.db2.gz SZLVIAZVEUEQTQ-MWLCHTKSSA-N 0 3 225.292 0.266 20 0 BCADHN Cc1[nH]nc(CN[C@@H]2CCOC[C@H]2O)c1C ZINC000886171989 585110456 /nfs/dbraw/zinc/11/04/56/585110456.db2.gz SZLVIAZVEUEQTQ-MWLCHTKSSA-N 0 3 225.292 0.266 20 0 BCADHN CCCN(C)CC(=O)NC(C)(C)CC(=O)OC ZINC000741218355 585111498 /nfs/dbraw/zinc/11/14/98/585111498.db2.gz NBCJJDJVFNUEEW-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN CNC(=S)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000741493626 585114798 /nfs/dbraw/zinc/11/47/98/585114798.db2.gz SPNSVOYRIIRTKP-DTWKUNHWSA-N 0 3 215.366 0.905 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2=COCCO2)CCN1C ZINC000741721649 585117271 /nfs/dbraw/zinc/11/72/71/585117271.db2.gz LOZBNXMLBRGPQW-NXEZZACHSA-N 0 3 240.303 0.474 20 0 BCADHN C[C@@H]1COCCN(CCc2cn(C)nn2)C1 ZINC000859207513 589018889 /nfs/dbraw/zinc/01/88/89/589018889.db2.gz RLMWFHDLRKFALY-JTQLQIEISA-N 0 3 224.308 0.326 20 0 BCADHN CN(C)CCNC(=S)N(C)C1CCC1 ZINC000741874171 585120569 /nfs/dbraw/zinc/12/05/69/585120569.db2.gz VWTLGGSEQISZSG-UHFFFAOYSA-N 0 3 215.366 0.907 20 0 BCADHN CSCC(=O)NCCN1CCC[C@@H]1C ZINC000742238296 585123836 /nfs/dbraw/zinc/12/38/36/585123836.db2.gz DRUWOKYWTGSJOZ-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN Cc1cc(NC[C@H](O)c2cnn(C)c2)nc(N)n1 ZINC000742414323 585125981 /nfs/dbraw/zinc/12/59/81/585125981.db2.gz KTSIPVQQWFTQPJ-VIFPVBQESA-N 0 3 248.290 0.246 20 0 BCADHN Cc1cc(NCc2nnnn2C2CC2)nc(N)n1 ZINC000742424820 585126141 /nfs/dbraw/zinc/12/61/41/585126141.db2.gz USNCLXHOJZVFBC-UHFFFAOYSA-N 0 3 246.278 0.301 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1ncccn1 ZINC000743296168 585134885 /nfs/dbraw/zinc/13/48/85/585134885.db2.gz NTIQFKLTJZWTBR-JTQLQIEISA-N 0 3 234.303 0.691 20 0 BCADHN Cc1nonc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000743637075 585138302 /nfs/dbraw/zinc/13/83/02/585138302.db2.gz KZKMPBUBENQDEJ-VXNVDRBHSA-N 0 3 238.291 0.591 20 0 BCADHN Cc1nonc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000743637073 585138341 /nfs/dbraw/zinc/13/83/41/585138341.db2.gz KZKMPBUBENQDEJ-CBAPKCEASA-N 0 3 238.291 0.591 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2nccn2C)CCN1C ZINC000743810667 585139840 /nfs/dbraw/zinc/13/98/40/585139840.db2.gz GWBLBPUVYCEETB-NXEZZACHSA-N 0 3 236.319 0.633 20 0 BCADHN NS(=O)(=O)CCN1CCC2(CCCC2)C1 ZINC000743863324 585141122 /nfs/dbraw/zinc/14/11/22/585141122.db2.gz FAXDVJNVWLJVOP-UHFFFAOYSA-N 0 3 232.349 0.541 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1ccnn1C ZINC000744345390 585149042 /nfs/dbraw/zinc/14/90/42/585149042.db2.gz NNROUNMRVMCLPY-SNVBAGLBSA-N 0 3 236.319 0.634 20 0 BCADHN CCOCC(=O)NCCN1CCC[C@H]1C ZINC000744348194 585149282 /nfs/dbraw/zinc/14/92/82/585149282.db2.gz GTORAGDNNFCEBH-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CCOC(=O)CCNC1(C(=O)NC)CCCC1 ZINC000744401879 585149772 /nfs/dbraw/zinc/14/97/72/585149772.db2.gz AJRPEFNSBGOPCM-UHFFFAOYSA-N 0 3 242.319 0.588 20 0 BCADHN C[C@H]1CCN(CCNC(=O)Nc2ccncc2)C1 ZINC000744452721 585150445 /nfs/dbraw/zinc/15/04/45/585150445.db2.gz OLHGEYQQLCMINX-NSHDSACASA-N 0 3 248.330 0.967 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)Nc2ccncc2)C1 ZINC000744452720 585150539 /nfs/dbraw/zinc/15/05/39/585150539.db2.gz OLHGEYQQLCMINX-LLVKDONJSA-N 0 3 248.330 0.967 20 0 BCADHN CN(C)CCN(C)C(=O)COC1(C)CCC1 ZINC000746180506 585164581 /nfs/dbraw/zinc/16/45/81/585164581.db2.gz YYNTZNWAENIHJE-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1ncccn1 ZINC000746223478 585165901 /nfs/dbraw/zinc/16/59/01/585165901.db2.gz ACHNSVIHXOQWPG-UHFFFAOYSA-N 0 3 236.319 0.890 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2ncccn2)C1 ZINC000746334322 585167601 /nfs/dbraw/zinc/16/76/01/585167601.db2.gz WLLQFGYWXLCBNF-JTQLQIEISA-N 0 3 234.303 0.548 20 0 BCADHN COCCCCN1CCN(CCCCO)CC1 ZINC000746487848 585168977 /nfs/dbraw/zinc/16/89/77/585168977.db2.gz BMQZZMRBPWEJHQ-UHFFFAOYSA-N 0 3 244.379 0.803 20 0 BCADHN CCCN(C)CC(=O)NCc1ccon1 ZINC000747431611 585178895 /nfs/dbraw/zinc/17/88/95/585178895.db2.gz FSJFOLPGUMCJLE-UHFFFAOYSA-N 0 3 211.265 0.633 20 0 BCADHN O=C1C=C(NNCCN2CCCCC2)NC1 ZINC000747633466 585181383 /nfs/dbraw/zinc/18/13/83/585181383.db2.gz RAYGVAOGFPPMBG-UHFFFAOYSA-N 0 3 224.308 0.421 20 0 BCADHN COC[C@@H](C)N1CC[C@H](NC(=O)OC)C1 ZINC000886848692 585185026 /nfs/dbraw/zinc/18/50/26/585185026.db2.gz LDUVXXOCDIVZCA-BDAKNGLRSA-N 0 3 216.281 0.452 20 0 BCADHN COC(=O)/C(C)=C\CN(C)C[C@@H](C)C(=O)OC ZINC000748817411 585196599 /nfs/dbraw/zinc/19/65/99/585196599.db2.gz NTAKRPIHRJAALA-ABRRARGCSA-N 0 3 243.303 0.847 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1ncccn1 ZINC000748861210 585197246 /nfs/dbraw/zinc/19/72/46/585197246.db2.gz TZCVJCZEWLINHY-JTQLQIEISA-N 0 3 234.303 0.691 20 0 BCADHN CCOC[C@@H](O)CNC1(C(=O)NC)CCCC1 ZINC000749321655 585201404 /nfs/dbraw/zinc/20/14/04/585201404.db2.gz MWCKWDPHDUJKEZ-JTQLQIEISA-N 0 3 244.335 0.032 20 0 BCADHN C[C@H](CNC(=S)NC[C@H]1CCOC1)N(C)C ZINC000749674380 585204994 /nfs/dbraw/zinc/20/49/94/585204994.db2.gz XAMFNFHVECGKNE-NXEZZACHSA-N 0 3 245.392 0.437 20 0 BCADHN C[C@@H](CNC(=S)NC[C@@H]1CCOC1)N(C)C ZINC000749674381 585205052 /nfs/dbraw/zinc/20/50/52/585205052.db2.gz XAMFNFHVECGKNE-UWVGGRQHSA-N 0 3 245.392 0.437 20 0 BCADHN O=C1CCCN1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000749801707 585206312 /nfs/dbraw/zinc/20/63/12/585206312.db2.gz VFYYXJCYWRBXDK-RYUDHWBXSA-N 0 3 238.331 0.925 20 0 BCADHN CC1=C(C(=O)NCCN(C)C)C(=O)OC1(C)C ZINC000751535187 585232117 /nfs/dbraw/zinc/23/21/17/585232117.db2.gz IBMPJYDLNVAFCS-UHFFFAOYSA-N 0 3 240.303 0.316 20 0 BCADHN COCCN1CC[C@H](NC(=O)/C=C/SC)C1 ZINC000751576587 585233256 /nfs/dbraw/zinc/23/32/56/585233256.db2.gz BHRNTRCCCJLHHL-GOJXHPMJSA-N 0 3 244.360 0.700 20 0 BCADHN COC(=O)[C@]1(F)CCN(CC2CCOCC2)C1 ZINC000752083416 585241463 /nfs/dbraw/zinc/24/14/63/585241463.db2.gz MDMILDNXOBCBHT-LBPRGKRZSA-N 0 3 245.294 1.000 20 0 BCADHN O[C@@H](CN1C[C@H](O)C[C@H](O)C1)c1ccccc1 ZINC000752091619 585242525 /nfs/dbraw/zinc/24/25/25/585242525.db2.gz IZBWVWGRXQZOHX-XQQFMLRXSA-N 0 3 237.299 0.148 20 0 BCADHN CSCCNC(=S)N1CCCN(C)CC1 ZINC000752734550 585249376 /nfs/dbraw/zinc/24/93/76/585249376.db2.gz RBQXGBWRZXEOGU-UHFFFAOYSA-N 0 3 247.433 0.861 20 0 BCADHN CCCCCN1C(C)C(=O)N(C)S1(=O)=O ZINC000752877895 585251220 /nfs/dbraw/zinc/25/12/20/585251220.db2.gz FOIBYQRNXVKLHR-QMMMGPOBSA-N 0 3 234.321 0.584 20 0 BCADHN COC(=O)c1cc(CN[C@H]2CCN(C)C2)c[nH]1 ZINC000753367583 585257522 /nfs/dbraw/zinc/25/75/22/585257522.db2.gz JUEWZNYGHIYEIJ-JTQLQIEISA-N 0 3 237.303 0.595 20 0 BCADHN CON(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000753529933 585260776 /nfs/dbraw/zinc/26/07/76/585260776.db2.gz AHPPEMYQXPPALY-SNVBAGLBSA-N 0 3 227.308 0.674 20 0 BCADHN CON(C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000753534207 585260966 /nfs/dbraw/zinc/26/09/66/585260966.db2.gz XNZZOMRPMDUHDW-BDAKNGLRSA-N 0 3 215.297 0.672 20 0 BCADHN CON(C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000753548709 585261519 /nfs/dbraw/zinc/26/15/19/585261519.db2.gz DDQLHOBTLUVTPL-JTQLQIEISA-N 0 3 247.364 0.627 20 0 BCADHN CCON(C)C(=O)NCCOCCN(C)C ZINC000753677720 585266289 /nfs/dbraw/zinc/26/62/89/585266289.db2.gz TVOMAJFUUGRXFO-UHFFFAOYSA-N 0 3 233.312 0.158 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2nccn2C)CN1C1CC1 ZINC000753838526 585270644 /nfs/dbraw/zinc/27/06/44/585270644.db2.gz FPLYVFGMOOJNMF-UWVGGRQHSA-N 0 3 248.330 0.775 20 0 BCADHN C[C@@H](O)CN(C)Cc1ccnc(N(C)C)c1 ZINC000754052174 585276422 /nfs/dbraw/zinc/27/64/22/585276422.db2.gz XLXDPZWKKILRHO-SNVBAGLBSA-N 0 3 223.320 0.960 20 0 BCADHN C[C@H](O)CN(C)Cc1ccnc(N(C)C)c1 ZINC000754052168 585276431 /nfs/dbraw/zinc/27/64/31/585276431.db2.gz XLXDPZWKKILRHO-JTQLQIEISA-N 0 3 223.320 0.960 20 0 BCADHN CCN1CCN(CCN2CCOC2=O)C[C@H]1C ZINC000754372750 585283615 /nfs/dbraw/zinc/28/36/15/585283615.db2.gz JJCMZNRTSREMST-LLVKDONJSA-N 0 3 241.335 0.465 20 0 BCADHN CC[C@H](C(=O)N1CCN(C)[C@@H](C)C1)N(C)C ZINC000754466483 585285112 /nfs/dbraw/zinc/28/51/12/585285112.db2.gz ADSDRVOHODXCES-WDEREUQCSA-N 0 3 227.352 0.489 20 0 BCADHN COC(=O)C[C@@H](NCC(=O)NC1CC1)C1CC1 ZINC000754524489 585285546 /nfs/dbraw/zinc/28/55/46/585285546.db2.gz YPTKTWPSYYHROX-SNVBAGLBSA-N 0 3 240.303 0.196 20 0 BCADHN COC[C@](C)(CCO)NC/C=C(/C)C(=O)OC ZINC000754666954 585289030 /nfs/dbraw/zinc/28/90/30/585289030.db2.gz RGUDSBCEORSVJL-JSJZCHLLSA-N 0 3 245.319 0.483 20 0 BCADHN COC[C@@](C)(CCO)NC/C=C(\C)C(=O)OC ZINC000754666956 585289233 /nfs/dbraw/zinc/28/92/33/585289233.db2.gz RGUDSBCEORSVJL-SBKJXLNCSA-N 0 3 245.319 0.483 20 0 BCADHN CCC1(C(=O)NC[C@H]2CCCN(C)C2)COC1 ZINC000755343924 585297981 /nfs/dbraw/zinc/29/79/81/585297981.db2.gz PAPYIDBEXFYHSE-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN CN1CCC(O)(CNC(=O)C=C2CCC2)CC1 ZINC000755416941 585299247 /nfs/dbraw/zinc/29/92/47/585299247.db2.gz CXQSQEKCMINGQE-UHFFFAOYSA-N 0 3 238.331 0.670 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)[C@H]1CCCO1 ZINC000755905333 585310193 /nfs/dbraw/zinc/31/01/93/585310193.db2.gz PSJCFJWRIRVCRS-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN CC1(C2CCN(CCO)CC2)OCCO1 ZINC000756081070 585314119 /nfs/dbraw/zinc/31/41/19/585314119.db2.gz JNHPMCJWRGNIDF-UHFFFAOYSA-N 0 3 215.293 0.454 20 0 BCADHN Cc1c(NC(=S)NCCN(C)C)cnn1C ZINC000756812157 585323642 /nfs/dbraw/zinc/32/36/42/585323642.db2.gz JFLLZQTYSUZRSW-UHFFFAOYSA-N 0 3 241.364 0.577 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H](CCO)C1CC1)N(C)C ZINC000757083681 585327803 /nfs/dbraw/zinc/32/78/03/585327803.db2.gz GBTYAPPDVCCYBX-VXGBXAGGSA-N 0 3 242.363 0.850 20 0 BCADHN CC[C@H](C(=O)N[C@H](CCO)C1CC1)N(C)C ZINC000757091565 585328086 /nfs/dbraw/zinc/32/80/86/585328086.db2.gz WCXUZTSELQPLBD-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1cc(CNC(=O)C2(N(C)C)CCC2)ncn1 ZINC000757198823 585329933 /nfs/dbraw/zinc/32/99/33/585329933.db2.gz JHCLKJLAZBMCOT-UHFFFAOYSA-N 0 3 248.330 0.886 20 0 BCADHN CON(C)C(=O)CN[C@@H](C)[C@@](C)(OC)C1CC1 ZINC000839636809 585332524 /nfs/dbraw/zinc/33/25/24/585332524.db2.gz BRWHEVKIXNLJKW-JOYOIKCWSA-N 0 3 244.335 0.799 20 0 BCADHN COC(=O)[C@H]1CN(C)CCN(C/C=C\Cl)C1 ZINC000839629340 585332741 /nfs/dbraw/zinc/33/27/41/585332741.db2.gz IITGACZAUSFGER-XOULXFPDSA-N 0 3 246.738 0.776 20 0 BCADHN C[C@H]1CC(C)(C)CN1CCS(N)(=O)=O ZINC000839659462 585333770 /nfs/dbraw/zinc/33/37/70/585333770.db2.gz DZZUQVRVLZAFMR-QMMMGPOBSA-N 0 3 220.338 0.395 20 0 BCADHN C[C@H]1CC(C)(C)CN1[C@@H]1CCC(=O)NC1=O ZINC000839657650 585333841 /nfs/dbraw/zinc/33/38/41/585333841.db2.gz DKEDJHTWEIONGL-DTWKUNHWSA-N 0 3 224.304 0.912 20 0 BCADHN C[C@H](CO)NC[C@H](O)c1ccc(F)cn1 ZINC000843058898 585335226 /nfs/dbraw/zinc/33/52/26/585335226.db2.gz BEZAGDVUMRLTHR-XCBNKYQSSA-N 0 3 214.240 0.225 20 0 BCADHN O=C1CC[C@H](N2CC[C@H](C3CCC3)C2)C(=O)N1 ZINC000839679011 585337086 /nfs/dbraw/zinc/33/70/86/585337086.db2.gz BTTKDHMICGWSPG-QWRGUYRKSA-N 0 3 236.315 0.914 20 0 BCADHN CC[C@H](NC(=O)[C@H](CC)N(C)C)C(OC)OC ZINC000839747075 585340205 /nfs/dbraw/zinc/34/02/05/585340205.db2.gz YZBTTWZESFLMHN-UWVGGRQHSA-N 0 3 246.351 0.840 20 0 BCADHN CC(=O)OCCNC(=O)[C@H](C(C)C)N(C)C ZINC000839749405 585340311 /nfs/dbraw/zinc/34/03/11/585340311.db2.gz FYASAISBHOZKMM-JTQLQIEISA-N 0 3 230.308 0.252 20 0 BCADHN CCNC(=S)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000757543870 585341158 /nfs/dbraw/zinc/34/11/58/585341158.db2.gz PMNOUEAPAZSCNE-WPRPVWTQSA-N 0 3 227.377 0.953 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H]1C[C@H](C)OC1=O)N(C)C ZINC000839780372 585341655 /nfs/dbraw/zinc/34/16/55/585341655.db2.gz VLBKTKVPPPWMLT-IVZWLZJFSA-N 0 3 242.319 0.393 20 0 BCADHN CCONC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000757727318 585344838 /nfs/dbraw/zinc/34/48/38/585344838.db2.gz OCLAJSUOXOJKEJ-SCZZXKLOSA-N 0 3 227.308 0.720 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1nccn1C ZINC000757722111 585344936 /nfs/dbraw/zinc/34/49/36/585344936.db2.gz HGWHKTHQXHVLJX-GXSJLCMTSA-N 0 3 248.330 0.633 20 0 BCADHN CONC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000757729399 585344999 /nfs/dbraw/zinc/34/49/99/585344999.db2.gz ZHRUZROARCYMEY-APPZFPTMSA-N 0 3 213.281 0.330 20 0 BCADHN CCC[C@H]1CCCN(CCS(N)(=O)=O)C1 ZINC000757849701 585345961 /nfs/dbraw/zinc/34/59/61/585345961.db2.gz CJNOYIMGVYZESQ-JTQLQIEISA-N 0 3 234.365 0.787 20 0 BCADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(CCF)C1 ZINC000759330060 585367707 /nfs/dbraw/zinc/36/77/07/585367707.db2.gz ATLSHJBXVUOVMD-WDEREUQCSA-N 0 3 246.326 0.819 20 0 BCADHN FCCN1CCN(C[C@H]2CCOC2)CC1 ZINC000759343218 585369633 /nfs/dbraw/zinc/36/96/33/585369633.db2.gz BYJLACBPWJRQNC-LLVKDONJSA-N 0 3 216.300 0.610 20 0 BCADHN CN(CCF)C1CCN(S(C)(=O)=O)CC1 ZINC000759431095 585372883 /nfs/dbraw/zinc/37/28/83/585372883.db2.gz SQOCYXIRVNSSPB-UHFFFAOYSA-N 0 3 238.328 0.312 20 0 BCADHN C(CN1CCc2nn[nH]c2C1)N1CCCC1 ZINC000759528574 585374524 /nfs/dbraw/zinc/37/45/24/585374524.db2.gz GTSHQYHHTZQOPL-UHFFFAOYSA-N 0 3 221.308 0.259 20 0 BCADHN CN(CC[C@@H]1CCOC1=O)C1CC(O)C1 ZINC000759874521 585382032 /nfs/dbraw/zinc/38/20/32/585382032.db2.gz MOGVQTFFZDFCNV-XNWIYYODSA-N 0 3 213.277 0.395 20 0 BCADHN C[C@H](CO)CCCNC(=O)C1(N(C)C)CCC1 ZINC000759889958 585382521 /nfs/dbraw/zinc/38/25/21/585382521.db2.gz PEPXVKMFMGWELZ-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H]1CCN(CCS(N)(=O)=O)CC1(C)C ZINC000759924016 585382926 /nfs/dbraw/zinc/38/29/26/585382926.db2.gz SWFPLQVHPNSDCC-VIFPVBQESA-N 0 3 234.365 0.643 20 0 BCADHN CN(C)CCNC(=S)NC1(C2CC2)CC1 ZINC000760281234 585388913 /nfs/dbraw/zinc/38/89/13/585388913.db2.gz BRPGPWLYNBLWDX-UHFFFAOYSA-N 0 3 227.377 0.955 20 0 BCADHN CC(C(=O)N[C@H](C)c1ccc[nH]1)S(C)(=O)=O ZINC000760731976 585396508 /nfs/dbraw/zinc/39/65/08/585396508.db2.gz QCPLZKVEQSZENM-HTQZYQBOSA-N 0 3 244.316 0.625 20 0 BCADHN CCN(CCN1CCCC1)CC(=O)N(C)C ZINC000760815729 585397721 /nfs/dbraw/zinc/39/77/21/585397721.db2.gz PAHQXIDSELYDRM-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN COC(=O)C(C)(C)N(C)CCN1CCCC1 ZINC000760856708 585399900 /nfs/dbraw/zinc/39/99/00/585399900.db2.gz LOXBYKIDWXENBZ-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@H]1CN(Cc2ccc(C(N)=O)cc2)CCN1C ZINC000761070868 585405215 /nfs/dbraw/zinc/40/52/15/585405215.db2.gz ANKWEDGKCNGEAZ-NSHDSACASA-N 0 3 247.342 0.921 20 0 BCADHN CCOC(=O)CCCN1CCN(C)[C@H](C)C1 ZINC000761078146 585405819 /nfs/dbraw/zinc/40/58/19/585405819.db2.gz NWPADMBOXCIGFN-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN Cc1noc(CCCN2CCN(C)[C@H](C)C2)n1 ZINC000761080085 585406681 /nfs/dbraw/zinc/40/66/81/585406681.db2.gz VIHNJMOUAJIBHW-SNVBAGLBSA-N 0 3 238.335 0.947 20 0 BCADHN O=C1CNC(=O)N1CCCN1CC[C@@H]2C[C@@H]21 ZINC000761100350 585409147 /nfs/dbraw/zinc/40/91/47/585409147.db2.gz YZWGBJASRYIPTP-BDAKNGLRSA-N 0 3 223.276 0.023 20 0 BCADHN COCC1(N(C)CCCNC(C)=O)CC1 ZINC000761099645 585409191 /nfs/dbraw/zinc/40/91/91/585409191.db2.gz GYGAIZPVCQAYKY-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN C[C@@H](C1=CCN(C)CC1)N1C(=O)N[C@H](C)C1=O ZINC000762315063 585430559 /nfs/dbraw/zinc/43/05/59/585430559.db2.gz FYZCFBCVKXSMEU-BDAKNGLRSA-N 0 3 237.303 0.577 20 0 BCADHN CCCCCC[C@H](O)CN1CC(C(=O)NC)C1 ZINC000762420721 585431996 /nfs/dbraw/zinc/43/19/96/585431996.db2.gz DDEOPRJBFSWJRJ-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN C/C=C(/C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000762722560 585436287 /nfs/dbraw/zinc/43/62/87/585436287.db2.gz RYIGHTKSEJSGID-KSHIFHCESA-N 0 3 212.293 0.135 20 0 BCADHN NC(=O)N[C@H]1CCN(CCCCCCO)C1 ZINC000762924873 585439692 /nfs/dbraw/zinc/43/96/92/585439692.db2.gz HWBDPXLPHGRYIB-JTQLQIEISA-N 0 3 229.324 0.282 20 0 BCADHN COCCCNC(=O)C1(N(C)C)CCC1 ZINC000762965428 585440168 /nfs/dbraw/zinc/44/01/68/585440168.db2.gz XTVOFJARUQUJKF-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CN(C)C1(C(=O)NC[C@@H]2CCCO2)CCC1 ZINC000762964353 585440221 /nfs/dbraw/zinc/44/02/21/585440221.db2.gz MPNKGBZNZKXLIN-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CN(C)C1(C(=O)NCC(C)(C)C(N)=O)CCC1 ZINC000763004150 585441149 /nfs/dbraw/zinc/44/11/49/585441149.db2.gz QAFBRKUPRPZHFG-UHFFFAOYSA-N 0 3 241.335 0.098 20 0 BCADHN CNC(=O)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC000763009818 585441492 /nfs/dbraw/zinc/44/14/92/585441492.db2.gz ZDCLNUOEHUTACD-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN COC(=O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC000763021376 585441612 /nfs/dbraw/zinc/44/16/12/585441612.db2.gz QKGZZNKQGAUTRI-UHFFFAOYSA-N 0 3 228.292 0.102 20 0 BCADHN CN(C)C1(C(=O)N(C)Cc2ncc[nH]2)CCC1 ZINC000763043011 585442103 /nfs/dbraw/zinc/44/21/03/585442103.db2.gz ALFTYGMBNDRIPM-UHFFFAOYSA-N 0 3 236.319 0.852 20 0 BCADHN CN(C)C1(C(=O)NCCc2ncc[nH]2)CCC1 ZINC000763044480 585442224 /nfs/dbraw/zinc/44/22/24/585442224.db2.gz LSBDKYRZKNXDKZ-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN Cc1cc(CNC(=O)C2(N(C)C)CCC2)[nH]n1 ZINC000763047411 585442331 /nfs/dbraw/zinc/44/23/31/585442331.db2.gz IKNNRAKWRUTZEU-UHFFFAOYSA-N 0 3 236.319 0.819 20 0 BCADHN Cc1cc(CNC(=O)C2(N(C)C)CCC2)n[nH]1 ZINC000763047411 585442332 /nfs/dbraw/zinc/44/23/32/585442332.db2.gz IKNNRAKWRUTZEU-UHFFFAOYSA-N 0 3 236.319 0.819 20 0 BCADHN CN(C)C1(C(=O)N(C)Cc2cn[nH]c2)CCC1 ZINC000763050811 585442517 /nfs/dbraw/zinc/44/25/17/585442517.db2.gz VPUBVGFXJYANEK-UHFFFAOYSA-N 0 3 236.319 0.852 20 0 BCADHN C[C@@H](N[C@@H](CO)C1CC1)C(=O)NC1CCCC1 ZINC000763075074 585442906 /nfs/dbraw/zinc/44/29/06/585442906.db2.gz ZZEVHMOBGGTAOV-SKDRFNHKSA-N 0 3 240.347 0.794 20 0 BCADHN CC[C@H](CCO)CNC(=O)C1(N(C)C)CCC1 ZINC000763075295 585442995 /nfs/dbraw/zinc/44/29/95/585442995.db2.gz RVUSYAYXNQDIOB-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN O=C1O[C@@H](CN2CCCC[C@H]2CO)CC12CC2 ZINC000763662254 585451428 /nfs/dbraw/zinc/45/14/28/585451428.db2.gz QVCNMLVZUPBWIH-WDEREUQCSA-N 0 3 239.315 0.929 20 0 BCADHN C[C@H](O)CCN(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763689178 585451568 /nfs/dbraw/zinc/45/15/68/585451568.db2.gz VJHWOJDVVWHKOH-UWVGGRQHSA-N 0 3 227.304 0.785 20 0 BCADHN CNC(=O)CCN(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763675055 585452001 /nfs/dbraw/zinc/45/20/01/585452001.db2.gz MVXOIYFWHZJAKQ-VIFPVBQESA-N 0 3 240.303 0.150 20 0 BCADHN C[C@H](O)CN(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763687986 585452477 /nfs/dbraw/zinc/45/24/77/585452477.db2.gz RISCFRVFTLAEEU-IUCAKERBSA-N 0 3 213.277 0.395 20 0 BCADHN CO[C@H]1CCN(C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000763696870 585452709 /nfs/dbraw/zinc/45/27/09/585452709.db2.gz MLMQWVMXMCBMBA-VHSXEESVSA-N 0 3 225.288 0.803 20 0 BCADHN CC1(O)CCN(C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763700377 585452996 /nfs/dbraw/zinc/45/29/96/585452996.db2.gz RHBSLYHVABFZPT-JTQLQIEISA-N 0 3 239.315 0.929 20 0 BCADHN CC1(O)CCN(C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763700378 585452998 /nfs/dbraw/zinc/45/29/98/585452998.db2.gz RHBSLYHVABFZPT-SNVBAGLBSA-N 0 3 239.315 0.929 20 0 BCADHN C[C@@]1(O)CCCN(C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000763743126 585453464 /nfs/dbraw/zinc/45/34/64/585453464.db2.gz YPVDKAKPSLVMII-CMPLNLGQSA-N 0 3 239.315 0.929 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2CC3(CC3)C(=O)O2)C[C@@H]1O ZINC000763741859 585453712 /nfs/dbraw/zinc/45/37/12/585453712.db2.gz UROPYRGPGAMMJW-VWYCJHECSA-N 0 3 239.315 0.785 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2CC3(CC3)C(=O)O2)C[C@H]1O ZINC000763741857 585453715 /nfs/dbraw/zinc/45/37/15/585453715.db2.gz UROPYRGPGAMMJW-OUAUKWLOSA-N 0 3 239.315 0.785 20 0 BCADHN CN(C[C@H]1CC2(CC2)C(=O)O1)CC1(CO)CC1 ZINC000763784425 585454313 /nfs/dbraw/zinc/45/43/13/585454313.db2.gz ZQNIRXMUWZMEPG-SNVBAGLBSA-N 0 3 239.315 0.786 20 0 BCADHN CC[C@H](NC(=O)CN(CC)CC)C(OC)OC ZINC000763783772 585454421 /nfs/dbraw/zinc/45/44/21/585454421.db2.gz OKTLZLJAQZOKSZ-JTQLQIEISA-N 0 3 246.351 0.842 20 0 BCADHN CN(CCC1OCCCO1)[C@]1(CO)CCOC1 ZINC000763880593 585456137 /nfs/dbraw/zinc/45/61/37/585456137.db2.gz IKMQUKINAZSEBZ-LBPRGKRZSA-N 0 3 245.319 0.223 20 0 BCADHN CCN(CC(=O)NC)[C@H](C)CCOC ZINC000764201724 585461179 /nfs/dbraw/zinc/46/11/79/585461179.db2.gz PQYRDVNWTQJCSM-SECBINFHSA-N 0 3 202.298 0.479 20 0 BCADHN NS(=O)(=O)CCN1CC[C@H](C2CC2)C1 ZINC000764486988 585465937 /nfs/dbraw/zinc/46/59/37/585465937.db2.gz XFLSGZXQKYJCRR-VIFPVBQESA-N 0 3 218.322 0.007 20 0 BCADHN CN(C(=O)[C@@H](O)C(C)(C)C)C1CCN(C)CC1 ZINC000764584964 585468325 /nfs/dbraw/zinc/46/83/25/585468325.db2.gz QSMTVIHVSDKYPP-LLVKDONJSA-N 0 3 242.363 0.946 20 0 BCADHN O=C(NCCN1CCCC1)[C@H](O)c1cccnc1 ZINC000764638322 585469760 /nfs/dbraw/zinc/46/97/60/585469760.db2.gz YSGATCIEBBMGOI-GFCCVEGCSA-N 0 3 249.314 0.327 20 0 BCADHN CC[C@H](C(=O)NCc1nonc1C)N(C)C ZINC000765574659 585490378 /nfs/dbraw/zinc/49/03/78/585490378.db2.gz CFIFBFYBJREZII-SECBINFHSA-N 0 3 226.280 0.334 20 0 BCADHN CC(C)N(C)CC(=O)N1CC(O)(C(C)C)C1 ZINC000765598364 585491262 /nfs/dbraw/zinc/49/12/62/585491262.db2.gz RCCPFIUISYGELX-UHFFFAOYSA-N 0 3 228.336 0.556 20 0 BCADHN CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(C)nc(N)n1 ZINC000765638471 585491790 /nfs/dbraw/zinc/49/17/90/585491790.db2.gz ZCCFUCFWVYVQNN-IUCAKERBSA-N 0 3 249.318 0.694 20 0 BCADHN C[C@@H]1C[C@H](C)CN([C@@H]2CCC(=O)NC2=O)C1 ZINC000765962695 585494473 /nfs/dbraw/zinc/49/44/73/585494473.db2.gz VBXFPJSJCKVCSN-KXUCPTDWSA-N 0 3 224.304 0.770 20 0 BCADHN O=C1CC[C@@H](N2CCCSCC2)C(=O)N1 ZINC000765967618 585494877 /nfs/dbraw/zinc/49/48/77/585494877.db2.gz ZKJAPAVXUAXGMV-MRVPVSSYSA-N 0 3 228.317 0.231 20 0 BCADHN CCOCC[C@H](O)CN1CCN(C)[C@H](C)C1 ZINC000766050518 585496905 /nfs/dbraw/zinc/49/69/05/585496905.db2.gz DLEUKZCQNOFEGB-NEPJUHHUSA-N 0 3 230.352 0.410 20 0 BCADHN COC(=O)[C@H]1CCN(CCC(=O)C2CC2)C1 ZINC000767348954 585517058 /nfs/dbraw/zinc/51/70/58/585517058.db2.gz LOQOETUWBWFTTH-JTQLQIEISA-N 0 3 225.288 0.851 20 0 BCADHN COCCN(CCO)CCC(=O)C1CC1 ZINC000767370925 585518291 /nfs/dbraw/zinc/51/82/91/585518291.db2.gz HBUUGCNTMFMWCY-UHFFFAOYSA-N 0 3 215.293 0.296 20 0 BCADHN CNC(=O)CCCN(C)CCC(=O)C1CC1 ZINC000767462117 585520672 /nfs/dbraw/zinc/52/06/72/585520672.db2.gz LVVQPYGHDHGUQR-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN CC(C)C[C@@H](CO)NC(=O)C1(N(C)C)CCC1 ZINC000767859933 585526887 /nfs/dbraw/zinc/52/68/87/585526887.db2.gz OCPNZCYAMGEXRV-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN CSC[C@H]1CCCN1CCS(N)(=O)=O ZINC000767904519 585528222 /nfs/dbraw/zinc/52/82/22/585528222.db2.gz AOEKJASXWVIWLW-MRVPVSSYSA-N 0 3 238.378 0.102 20 0 BCADHN COC[C@H]1CCCCN(CC(=O)N(C)OC)C1 ZINC000767948327 585528680 /nfs/dbraw/zinc/52/86/80/585528680.db2.gz MHFSLGPFGZMIAH-NSHDSACASA-N 0 3 244.335 0.755 20 0 BCADHN C[C@H](CNC(=O)N(C)CCO)N1CCCCC1 ZINC000768046486 585530017 /nfs/dbraw/zinc/53/00/17/585530017.db2.gz LPTOPTRIQKBKEL-LLVKDONJSA-N 0 3 243.351 0.495 20 0 BCADHN CCN1CCC[C@@H]1CNC(=S)NC[C@H](C)O ZINC000768279553 585535141 /nfs/dbraw/zinc/53/51/41/585535141.db2.gz CMGRTQJZMWMVBM-VHSXEESVSA-N 0 3 245.392 0.316 20 0 BCADHN CC(=O)CCN(C)C(=O)C1CCN(C)CC1 ZINC000768355107 585536674 /nfs/dbraw/zinc/53/66/74/585536674.db2.gz VBHPYDKLJXJOCH-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CNC(=S)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000768477705 585539014 /nfs/dbraw/zinc/53/90/14/585539014.db2.gz DBTLVGUJLWRICB-UWVGGRQHSA-N 0 3 227.377 0.907 20 0 BCADHN CCN(CC)CCOC(=O)c1ccnnc1 ZINC000768509705 585539441 /nfs/dbraw/zinc/53/94/41/585539441.db2.gz QWKVOBJYAFCVQD-UHFFFAOYSA-N 0 3 223.276 0.975 20 0 BCADHN C[C@@H](Cn1cccn1)NC[C@@H](O)c1cnn(C)c1 ZINC000768698509 585542271 /nfs/dbraw/zinc/54/22/71/585542271.db2.gz SKIPOSSTSNXVFP-CMPLNLGQSA-N 0 3 249.318 0.328 20 0 BCADHN C[C@@H]1CN(CC[C@@H]2CCOC2=O)[C@@H](C)CN1C ZINC000768766590 585542869 /nfs/dbraw/zinc/54/28/69/585542869.db2.gz YYIQBRBTTWLLFZ-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCN(C)[C@H](C)C1)N(C)C ZINC000769144824 585550128 /nfs/dbraw/zinc/55/01/28/585550128.db2.gz YBUJIBXACOOAIE-NEPJUHHUSA-N 0 3 241.379 0.735 20 0 BCADHN CCCN(C)CC(=O)NC[C@H]1COC(C)(C)O1 ZINC000769213884 585551336 /nfs/dbraw/zinc/55/13/36/585551336.db2.gz DNHFTPVGOXHYSD-JTQLQIEISA-N 0 3 244.335 0.596 20 0 BCADHN CN(C)C[C@H]1CCCCN1C(=O)CC1COC1 ZINC000769703868 585562065 /nfs/dbraw/zinc/56/20/65/585562065.db2.gz SNURIYUAHVRALF-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](CNC(=O)CC1COC1)N(C)C1CC1 ZINC000769703369 585562185 /nfs/dbraw/zinc/56/21/85/585562185.db2.gz MBKXLXWCNOMCOH-VIFPVBQESA-N 0 3 226.320 0.622 20 0 BCADHN COCCCN(C)CCNC(=O)CC1COC1 ZINC000769713751 585562308 /nfs/dbraw/zinc/56/23/08/585562308.db2.gz BYSDJKSFEDYOHI-UHFFFAOYSA-N 0 3 244.335 0.107 20 0 BCADHN CN(C)C1(C(=O)NCCc2ccon2)CCC1 ZINC000770098396 585570925 /nfs/dbraw/zinc/57/09/25/585570925.db2.gz GDXAMOLCPBQVTR-UHFFFAOYSA-N 0 3 237.303 0.818 20 0 BCADHN CCN1CCN(c2ccnc(C(N)=O)c2)C[C@@H]1C ZINC000770122513 585571084 /nfs/dbraw/zinc/57/10/84/585571084.db2.gz AZXNGBKHDYXARA-JTQLQIEISA-N 0 3 248.330 0.711 20 0 BCADHN O=C(OCCN1CCCCC1)[C@H]1CCC(=O)O1 ZINC000770404801 585573834 /nfs/dbraw/zinc/57/38/34/585573834.db2.gz QPPPORXWFDUAGX-SNVBAGLBSA-N 0 3 241.287 0.721 20 0 BCADHN COC(CN(CCCO)C[C@H]1C[C@H]1C)OC ZINC000859244767 589023414 /nfs/dbraw/zinc/02/34/14/589023414.db2.gz OMXDLBDNOSZWLM-GHMZBOCLSA-N 0 3 231.336 0.946 20 0 BCADHN CCOCCN[C@]1(CC(=O)OC)CCCOC1 ZINC000770701141 585580404 /nfs/dbraw/zinc/58/04/04/585580404.db2.gz JZGGHPIUJZDDGL-LBPRGKRZSA-N 0 3 245.319 0.725 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@H](CO)C1CC1 ZINC000771017114 585587407 /nfs/dbraw/zinc/58/74/07/585587407.db2.gz DAFKVQMZBULDHF-VXGBXAGGSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H](CO)C1CC1)N(C)C ZINC000771026024 585587649 /nfs/dbraw/zinc/58/76/49/585587649.db2.gz PEBQOHYAHSDGMD-GHMZBOCLSA-N 0 3 228.336 0.460 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCC=CO1 ZINC000805422699 585591816 /nfs/dbraw/zinc/59/18/16/585591816.db2.gz IJYDIRUEMXYIOJ-UWVGGRQHSA-N 0 3 212.293 0.745 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CN1CCSC1=O ZINC000805425722 585592193 /nfs/dbraw/zinc/59/21/93/585592193.db2.gz FOFKYSZFQVKYMS-QMMMGPOBSA-N 0 3 245.348 0.222 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)C1=COCC1 ZINC000771573654 585596757 /nfs/dbraw/zinc/59/67/57/585596757.db2.gz CJOFOIFWOWPGBV-UHFFFAOYSA-N 0 3 224.304 0.843 20 0 BCADHN C/C=C\C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000771583896 585597386 /nfs/dbraw/zinc/59/73/86/585597386.db2.gz WHNSDUGKXRYITF-DLGQBQFBSA-N 0 3 238.331 0.932 20 0 BCADHN C/C=C/C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000771651886 585598401 /nfs/dbraw/zinc/59/84/01/585598401.db2.gz PWLHOUWMFKYUIT-SZHMKSFOSA-N 0 3 226.320 0.526 20 0 BCADHN C[C@@H](CCO)CNC(=O)C1(N(C)C)CCC1 ZINC000771652950 585598443 /nfs/dbraw/zinc/59/84/43/585598443.db2.gz MBQDPJYLFSLUSV-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N[C@H](CCO)C1CC1 ZINC000771794650 585600080 /nfs/dbraw/zinc/60/00/80/585600080.db2.gz GUWBQGACGPGUJF-ZYHUDNBSSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N[C@@H](CCO)C1CC1 ZINC000771799254 585600400 /nfs/dbraw/zinc/60/04/00/585600400.db2.gz BSEYVVUDBKFYLY-JQWIXIFHSA-N 0 3 242.363 0.992 20 0 BCADHN OCC[C@H](NCc1cn2cccnc2n1)C1CC1 ZINC000771802865 585600506 /nfs/dbraw/zinc/60/05/06/585600506.db2.gz XZDTVRIAUIECRY-LBPRGKRZSA-N 0 3 246.314 0.980 20 0 BCADHN CCN(CC)CCOC(=O)CCOC ZINC000772075972 585607981 /nfs/dbraw/zinc/60/79/81/585607981.db2.gz OSGDSRSZPAKEMW-UHFFFAOYSA-N 0 3 203.282 0.908 20 0 BCADHN CCN(CC)CCOC(=O)[C@H]1CCC(=O)O1 ZINC000772200440 585610025 /nfs/dbraw/zinc/61/00/25/585610025.db2.gz ADKRGDXCOCIEPG-SECBINFHSA-N 0 3 229.276 0.577 20 0 BCADHN CCSCCOC(=O)C1CCN(C)C1=O ZINC000772531909 585617058 /nfs/dbraw/zinc/61/70/58/585617058.db2.gz KOCFCNLFQGVWAS-QMMMGPOBSA-N 0 3 231.317 0.761 20 0 BCADHN CSCCCOC(=O)C1CCN(C)C1=O ZINC000772524238 585617434 /nfs/dbraw/zinc/61/74/34/585617434.db2.gz VMWBCIFFUAGEQW-MRVPVSSYSA-N 0 3 231.317 0.761 20 0 BCADHN COCCCOC(=O)C1CCN(C)C1=O ZINC000772522007 585617584 /nfs/dbraw/zinc/61/75/84/585617584.db2.gz PHNXWJUVHMTZCI-MRVPVSSYSA-N 0 3 215.249 0.044 20 0 BCADHN CC(C)OCCOC(=O)C1CCN(C)C1=O ZINC000772538264 585617734 /nfs/dbraw/zinc/61/77/34/585617734.db2.gz YNYWPDPJBQICHH-VIFPVBQESA-N 0 3 229.276 0.433 20 0 BCADHN COC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000772844433 585625228 /nfs/dbraw/zinc/62/52/28/585625228.db2.gz HAXJRFABORVSRY-YUMQZZPRSA-N 0 3 218.322 0.730 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1ccn[nH]1 ZINC000773195652 585633405 /nfs/dbraw/zinc/63/34/05/585633405.db2.gz AEGRKZVNMZAYMV-SECBINFHSA-N 0 3 222.292 0.624 20 0 BCADHN CCCCCCN(C)CC(=O)N1CC(CO)C1 ZINC000773942282 585646889 /nfs/dbraw/zinc/64/68/89/585646889.db2.gz RNWSBJKAOBEWEM-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN CCCCOCCOC(=O)C1CCN(C)C1=O ZINC000774000368 585648020 /nfs/dbraw/zinc/64/80/20/585648020.db2.gz MWJIWNWHXINHFV-JTQLQIEISA-N 0 3 243.303 0.825 20 0 BCADHN C[C@@H](OC(=O)C1CCN(C)C1=O)C1CC1 ZINC000774004416 585648388 /nfs/dbraw/zinc/64/83/88/585648388.db2.gz DDOFJUHINWYPMF-APPZFPTMSA-N 0 3 211.261 0.806 20 0 BCADHN C[C@H](OC(=O)C1CCN(C)C1=O)C1CC1 ZINC000774004418 585648438 /nfs/dbraw/zinc/64/84/38/585648438.db2.gz DDOFJUHINWYPMF-CBAPKCEASA-N 0 3 211.261 0.806 20 0 BCADHN Cc1cc(COC(=O)C2CCN(C)C2=O)ncn1 ZINC000774237197 585654665 /nfs/dbraw/zinc/65/46/65/585654665.db2.gz SZLDHAKNTMVXAE-SNVBAGLBSA-N 0 3 249.270 0.307 20 0 BCADHN CC[C@@H](CCOC)OC(=O)C1CCN(C)C1=O ZINC000774237489 585654768 /nfs/dbraw/zinc/65/47/68/585654768.db2.gz NSHAWGMZWZYBCV-VHSXEESVSA-N 0 3 243.303 0.823 20 0 BCADHN C[C@@H]1CC[C@@H](COC(=O)C2CCN(C)C2=O)O1 ZINC000774257987 585655289 /nfs/dbraw/zinc/65/52/89/585655289.db2.gz RFOWGWWALAOWQH-UTLUCORTSA-N 0 3 241.287 0.575 20 0 BCADHN CON(C)C(=O)CN1C[C@@H](C)C[C@H]1C ZINC000774633779 585662587 /nfs/dbraw/zinc/66/25/87/585662587.db2.gz CAJNEKVTNFSQJW-DTWKUNHWSA-N 0 3 200.282 0.737 20 0 BCADHN CCN1C[C@@H](C)N(CC(=O)N(C)OC)C[C@@H]1C ZINC000774762318 585665321 /nfs/dbraw/zinc/66/53/21/585665321.db2.gz DQBTXAFVEHEKQC-WDEREUQCSA-N 0 3 243.351 0.421 20 0 BCADHN CCN1C[C@H](C)N(CC(=O)N(C)OC)C[C@@H]1C ZINC000774762317 585665524 /nfs/dbraw/zinc/66/55/24/585665524.db2.gz DQBTXAFVEHEKQC-QWRGUYRKSA-N 0 3 243.351 0.421 20 0 BCADHN CON(C)C(=O)CN(C)CC1CCOCC1 ZINC000774767145 585665573 /nfs/dbraw/zinc/66/55/73/585665573.db2.gz YDSOYPDCUOFNGZ-UHFFFAOYSA-N 0 3 230.308 0.365 20 0 BCADHN OCCCN(CCO)C[C@@H]1CCC=CO1 ZINC000774887085 585668611 /nfs/dbraw/zinc/66/86/11/585668611.db2.gz OHCOGQSCZRSNLT-NSHDSACASA-N 0 3 215.293 0.356 20 0 BCADHN C[C@H]1CCOCCN1CCN1CCOCC1 ZINC000775567406 585679910 /nfs/dbraw/zinc/67/99/10/585679910.db2.gz XIGPKAPMNDYALJ-LBPRGKRZSA-N 0 3 228.336 0.429 20 0 BCADHN CC(C)C[C@@H](CO)N(C)CCN1CCOC1=O ZINC000775755256 585684065 /nfs/dbraw/zinc/68/40/65/585684065.db2.gz ZIKZAVHZPZWOOF-NSHDSACASA-N 0 3 244.335 0.777 20 0 BCADHN CC(C)C[C@H](CO)N(C)CCN1CCOC1=O ZINC000775755255 585684241 /nfs/dbraw/zinc/68/42/41/585684241.db2.gz ZIKZAVHZPZWOOF-LLVKDONJSA-N 0 3 244.335 0.777 20 0 BCADHN CCC1(C(=O)NCC2=CCN(C)CC2)COC1 ZINC000775891208 585687253 /nfs/dbraw/zinc/68/72/53/585687253.db2.gz WINIZOIPDBGEQG-UHFFFAOYSA-N 0 3 238.331 0.791 20 0 BCADHN CN1CC=C(CNC(=O)c2ncccn2)CC1 ZINC000775887059 585687337 /nfs/dbraw/zinc/68/73/37/585687337.db2.gz PUXYQYCUUULXQA-UHFFFAOYSA-N 0 3 232.287 0.468 20 0 BCADHN C[C@@H]1CN(CCCn2ccnc2)CCN1C ZINC000776001536 585689357 /nfs/dbraw/zinc/68/93/57/585689357.db2.gz QDTMHCBIPMKDHH-GFCCVEGCSA-N 0 3 222.336 0.909 20 0 BCADHN CS[C@@H]1CN([C@@H]2CCOC2=O)C[C@H]1N(C)C ZINC000776001910 585689362 /nfs/dbraw/zinc/68/93/62/585689362.db2.gz QXKYVUMBTCXOAJ-OPRDCNLKSA-N 0 3 244.360 0.279 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)NOC ZINC000776160995 585691385 /nfs/dbraw/zinc/69/13/85/585691385.db2.gz HTXYQAMJQFJFOX-VIFPVBQESA-N 0 3 215.297 0.721 20 0 BCADHN CN(C)Cc1cccc(C(=O)NOCCO)c1 ZINC000776580127 585701045 /nfs/dbraw/zinc/70/10/45/585701045.db2.gz SJMSWTNOPWUMCO-UHFFFAOYSA-N 0 3 238.287 0.402 20 0 BCADHN NC(=O)[C@H]1CCCCN1CCN1CCCC1 ZINC000776701426 585703215 /nfs/dbraw/zinc/70/32/15/585703215.db2.gz RFVNDAXFRFPDHC-LLVKDONJSA-N 0 3 225.336 0.422 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCN1Cn1cnnc1 ZINC000776761388 585704551 /nfs/dbraw/zinc/70/45/51/585704551.db2.gz APFWGPIAKREPMI-ZJUUUORDSA-N 0 3 210.281 0.471 20 0 BCADHN COC(=O)CCN(Cn1cnnc1)C(C)C ZINC000776760080 585704972 /nfs/dbraw/zinc/70/49/72/585704972.db2.gz ZVDPUDQJNTXUJE-UHFFFAOYSA-N 0 3 226.280 0.509 20 0 BCADHN O=C(CCN1CC[C@@H](n2cncn2)C1)C1CC1 ZINC000776879541 585706450 /nfs/dbraw/zinc/70/64/50/585706450.db2.gz TUHDWUKBRWMBQW-LLVKDONJSA-N 0 3 234.303 0.894 20 0 BCADHN C[C@H]1CN(C(=S)NCCN(C)C)CC[C@@H]1O ZINC000777486429 585713583 /nfs/dbraw/zinc/71/35/83/585713583.db2.gz IKSPWQPYVYBDRG-UWVGGRQHSA-N 0 3 245.392 0.125 20 0 BCADHN COC[C@H]1CCCN1CC1OCCO1 ZINC000777595736 585716320 /nfs/dbraw/zinc/71/63/20/585716320.db2.gz CAPRGSNGKHPETC-SECBINFHSA-N 0 3 201.266 0.470 20 0 BCADHN CC(C)[C@@H]1NC(=O)N([C@@H]2CCCN(C)C2)C1=O ZINC000777619275 585717068 /nfs/dbraw/zinc/71/70/68/585717068.db2.gz JKPVHGVOXFZAQH-ZJUUUORDSA-N 0 3 239.319 0.657 20 0 BCADHN C[C@H]1NC(=O)N([C@H]2CCCN(C)C2)C1=O ZINC000777619506 585717114 /nfs/dbraw/zinc/71/71/14/585717114.db2.gz MEAJUIWWVIWPHN-SFYZADRCSA-N 0 3 211.265 0.021 20 0 BCADHN O=C1CN(C2CC2)C(=O)N1[C@@H]1CCN(C2CC2)C1 ZINC000777626401 585717512 /nfs/dbraw/zinc/71/75/12/585717512.db2.gz RTFNTEUQBRCEGE-LLVKDONJSA-N 0 3 249.314 0.650 20 0 BCADHN CC(C)(O)[C@H]1CCCN1CC1OCCO1 ZINC000777710190 585718497 /nfs/dbraw/zinc/71/84/97/585718497.db2.gz XEDLSVOIWIGLKW-SECBINFHSA-N 0 3 215.293 0.595 20 0 BCADHN C[C@@H]1CN(CC2OCCO2)[C@@H](C)CN1C ZINC000777717202 585718644 /nfs/dbraw/zinc/71/86/44/585718644.db2.gz QWXYTEHVQIALDP-ZJUUUORDSA-N 0 3 214.309 0.384 20 0 BCADHN C[C@H]1CN(CC2OCCO2)[C@@H](C)CN1C ZINC000777717200 585718820 /nfs/dbraw/zinc/71/88/20/585718820.db2.gz QWXYTEHVQIALDP-UWVGGRQHSA-N 0 3 214.309 0.384 20 0 BCADHN C[C@H]1[C@H](C)N(CC2OCCO2)CCN1C ZINC000777719457 585719417 /nfs/dbraw/zinc/71/94/17/585719417.db2.gz CMWQKDQHRCMYIY-UWVGGRQHSA-N 0 3 214.309 0.384 20 0 BCADHN O=C1OCC[C@]12CCCN2C[C@@H]1CCOC1 ZINC000778243536 585729491 /nfs/dbraw/zinc/72/94/91/585729491.db2.gz SOIQLYWSUAKYAX-CMPLNLGQSA-N 0 3 225.288 0.804 20 0 BCADHN CC[C@@]1(CO)CCCN(CC2OCCO2)C1 ZINC000778329120 585731658 /nfs/dbraw/zinc/73/16/58/585731658.db2.gz SCZBSJZQMWJEBJ-GFCCVEGCSA-N 0 3 229.320 0.844 20 0 BCADHN C[C@@H]1CN(CCCCCCO)CCN1CCO ZINC000778356703 585732170 /nfs/dbraw/zinc/73/21/70/585732170.db2.gz QMKUMADWNIQWOL-CYBMUJFWSA-N 0 3 244.379 0.538 20 0 BCADHN C[C@H]1CN(CCCCCCO)CCN1CCO ZINC000778356704 585732334 /nfs/dbraw/zinc/73/23/34/585732334.db2.gz QMKUMADWNIQWOL-ZDUSSCGKSA-N 0 3 244.379 0.538 20 0 BCADHN C[C@@H]1CC[C@](CO)(N(C)CC2OCCO2)C1 ZINC000778427883 585734398 /nfs/dbraw/zinc/73/43/98/585734398.db2.gz OYMJUBFIOCPACS-PWSUYJOCSA-N 0 3 229.320 0.842 20 0 BCADHN CON(C)C(=O)CN(C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000778427307 585734505 /nfs/dbraw/zinc/73/45/05/585734505.db2.gz LCSWZLYYWFCPLP-PWSUYJOCSA-N 0 3 244.335 0.489 20 0 BCADHN COCCOC[C@H](C)N[C@H]1CCCN(C)C1=O ZINC000778546921 585737026 /nfs/dbraw/zinc/73/70/26/585737026.db2.gz REKIAOBCVXEVFQ-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN CN(CCNC(=O)N[C@H](CO)C1CC1)C1CC1 ZINC000778695908 585739363 /nfs/dbraw/zinc/73/93/63/585739363.db2.gz VVBXVWIKVCVAPU-LLVKDONJSA-N 0 3 241.335 0.151 20 0 BCADHN CN1CCC(NC(=O)N[C@H](CO)C2CC2)CC1 ZINC000778692570 585739455 /nfs/dbraw/zinc/73/94/55/585739455.db2.gz OGDLKPXMLMHOPT-LLVKDONJSA-N 0 3 241.335 0.151 20 0 BCADHN C[C@@H]1COCCN([C@@H]2CCCN(C)C2=O)C1 ZINC000778949946 585742664 /nfs/dbraw/zinc/74/26/64/585742664.db2.gz FAATXFNGFRMPDM-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H]1COCCN([C@H]2CCCN(C)C2=O)C1 ZINC000778949945 585742669 /nfs/dbraw/zinc/74/26/69/585742669.db2.gz FAATXFNGFRMPDM-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN CN(CCF)CCCN1CCN(C)CC1 ZINC000778951463 585742740 /nfs/dbraw/zinc/74/27/40/585742740.db2.gz RWLBUIBMJWFWGG-UHFFFAOYSA-N 0 3 217.332 0.525 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1O ZINC000779273075 585749662 /nfs/dbraw/zinc/74/96/62/585749662.db2.gz KGFUKAPHNPZMDE-MNOVXSKESA-N 0 3 240.347 0.700 20 0 BCADHN CCNC(=O)CN(CC)CCN1CCCC1 ZINC000779497448 585755771 /nfs/dbraw/zinc/75/57/71/585755771.db2.gz NLGUIINITCKRCS-UHFFFAOYSA-N 0 3 227.352 0.540 20 0 BCADHN CC(=O)OC(C)(C)C(=O)NC1CCN(C)CC1 ZINC000779585374 585756574 /nfs/dbraw/zinc/75/65/74/585756574.db2.gz OIUVVQCAWXRYPC-UHFFFAOYSA-N 0 3 242.319 0.539 20 0 BCADHN CC[C@@H](CO)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000779620649 585756836 /nfs/dbraw/zinc/75/68/36/585756836.db2.gz ONLQIXHZGSIDBB-ZJUUUORDSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@@H](CO)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000779611818 585757209 /nfs/dbraw/zinc/75/72/09/585757209.db2.gz WOYDREOSGZCWOE-UWVGGRQHSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@H](CNC(=O)/C=C\c1cncc([O-])c1)[NH+](C)C ZINC000779656571 585758274 /nfs/dbraw/zinc/75/82/74/585758274.db2.gz VPEIUAZIKAZPLW-LWTINBJPSA-N 0 3 249.314 0.867 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(C(=S)NCCN(C)C)C1 ZINC000779728125 585759847 /nfs/dbraw/zinc/75/98/47/585759847.db2.gz UGFJKVVFEWCEBE-NXEZZACHSA-N 0 3 245.392 0.125 20 0 BCADHN CC[C@@H](CO)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000779777838 585762316 /nfs/dbraw/zinc/76/23/16/585762316.db2.gz VLNLVSXNKFZKGD-CMPLNLGQSA-N 0 3 240.347 0.700 20 0 BCADHN CCCS(=O)(=O)NCCN1CCC[C@H]1C ZINC000780867558 585785525 /nfs/dbraw/zinc/78/55/25/585785525.db2.gz PWYDDBMNTWEVNL-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN CCNC(=O)CC(=O)N[C@@H](CN(C)C)C(C)C ZINC000780941096 585786896 /nfs/dbraw/zinc/78/68/96/585786896.db2.gz SORLGZWOGAXJIS-JTQLQIEISA-N 0 3 243.351 0.215 20 0 BCADHN CCOCCN1CCCN(C=O)CC1 ZINC000781555691 585798447 /nfs/dbraw/zinc/79/84/47/585798447.db2.gz NYEGICFFRPKPBD-UHFFFAOYSA-N 0 3 200.282 0.187 20 0 BCADHN CC(=O)CCN1CCN(CCO)C(C)(C)C1 ZINC000781962037 585806079 /nfs/dbraw/zinc/80/60/79/585806079.db2.gz GSKHBOXSXPSGTJ-UHFFFAOYSA-N 0 3 228.336 0.354 20 0 BCADHN CO[C@H](C)CN1CCC2(CNC(=O)O2)CC1 ZINC000782005065 585806309 /nfs/dbraw/zinc/80/63/09/585806309.db2.gz UWDCJGVQRJJZPH-SECBINFHSA-N 0 3 228.292 0.596 20 0 BCADHN CNS(=O)(=O)[C@H]1CCCN([C@@H](C)C2CC2)C1 ZINC000782181813 585810436 /nfs/dbraw/zinc/81/04/36/585810436.db2.gz LQGVZMJTOGUQBJ-ONGXEEELSA-N 0 3 246.376 0.799 20 0 BCADHN C[C@H](C1CC1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000782188865 585811292 /nfs/dbraw/zinc/81/12/92/585811292.db2.gz QRTZBGQQUGFGRN-SCZZXKLOSA-N 0 3 210.277 0.921 20 0 BCADHN COC(=O)CCCN1C[C@@H]2C[C@]2(CO)C1 ZINC000782610018 585822067 /nfs/dbraw/zinc/82/20/67/585822067.db2.gz UBHDLHXXCXXGFC-GXSJLCMTSA-N 0 3 213.277 0.254 20 0 BCADHN Cn1ccc(CN2C[C@@H]3C[C@]3(CO)C2)cc1=O ZINC000782620285 585822802 /nfs/dbraw/zinc/82/28/02/585822802.db2.gz TXPPYFNZQGYCOF-WCQYABFASA-N 0 3 234.299 0.200 20 0 BCADHN CO[C@H]1CCCN(CCN2CCOC2=O)CC1 ZINC000783018525 585827145 /nfs/dbraw/zinc/82/71/45/585827145.db2.gz OGYHBIUUDJYQJF-NSHDSACASA-N 0 3 242.319 0.940 20 0 BCADHN C[C@@H](O)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC000783632035 585838927 /nfs/dbraw/zinc/83/89/27/585838927.db2.gz SOVVPFBATVYSHA-NXEZZACHSA-N 0 3 228.336 0.746 20 0 BCADHN OC[C@@]12C[C@@H]1CN(CC1=CCCOC1)C2 ZINC000783738060 585841693 /nfs/dbraw/zinc/84/16/93/585841693.db2.gz BATCFHYYFLZERK-NEPJUHHUSA-N 0 3 209.289 0.647 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H]2C[C@@]2(CO)C1 ZINC000783796038 585843521 /nfs/dbraw/zinc/84/35/21/585843521.db2.gz SAYVNULERLLVFQ-PWSUYJOCSA-N 0 3 226.320 0.169 20 0 BCADHN CCCN(C)CC(=O)NCCN1CCC[C@H]1C ZINC000783917356 585845659 /nfs/dbraw/zinc/84/56/59/585845659.db2.gz WAYOKZPQHXDZGM-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CON(C)C(=O)CN[C@@]1(C)CCO[C@H]1C1CC1 ZINC000784588732 585863956 /nfs/dbraw/zinc/86/39/56/585863956.db2.gz NTHXKBYEDVNYSU-RYUDHWBXSA-N 0 3 242.319 0.553 20 0 BCADHN COC(=O)N1CCC(N2CCCOCC2)CC1 ZINC000786671981 585895950 /nfs/dbraw/zinc/89/59/50/585895950.db2.gz QWCUNHVIRLQYBR-UHFFFAOYSA-N 0 3 242.319 0.940 20 0 BCADHN O=C(CCN1CCc2ccccc2C1)OCCO ZINC000786815213 585897671 /nfs/dbraw/zinc/89/76/71/585897671.db2.gz BOAGMMCFBNYPCM-UHFFFAOYSA-N 0 3 249.310 0.970 20 0 BCADHN COCCN(CCN(C)C)C(=O)C(F)F ZINC000787322615 585906801 /nfs/dbraw/zinc/90/68/01/585906801.db2.gz IBRMGEABCLAEII-UHFFFAOYSA-N 0 3 224.251 0.288 20 0 BCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(F)F ZINC000787333046 585907200 /nfs/dbraw/zinc/90/72/00/585907200.db2.gz UWFDPSXLWGQEMB-MRVPVSSYSA-N 0 3 218.247 0.852 20 0 BCADHN CCN1CCN([C@H](C)CNC(=O)C(F)F)CC1 ZINC000787348978 585907537 /nfs/dbraw/zinc/90/75/37/585907537.db2.gz CCOPUZOUVPHTBG-SECBINFHSA-N 0 3 249.305 0.394 20 0 BCADHN C[C@H]1CCN(CCNC(=O)C(F)F)C1 ZINC000787403738 585908715 /nfs/dbraw/zinc/90/87/15/585908715.db2.gz HOFUEXOGGOSDNQ-ZETCQYMHSA-N 0 3 206.236 0.710 20 0 BCADHN CC(C)(O)CCNC1(CO)COC(C)(C)OC1 ZINC000787663951 585913477 /nfs/dbraw/zinc/91/34/77/585913477.db2.gz JUEMZRQAABRLSC-UHFFFAOYSA-N 0 3 247.335 0.251 20 0 BCADHN COC(=O)[C@H]1[C@@H](CN2CCC[C@H]2CO)C1(F)F ZINC000787772696 585915791 /nfs/dbraw/zinc/91/57/91/585915791.db2.gz KGZVYZGWVSZAJC-DJLDLDEBSA-N 0 3 249.257 0.497 20 0 BCADHN COC(C)(C)CCOC(=O)C1CCN(C)C1=O ZINC000787799432 585916661 /nfs/dbraw/zinc/91/66/61/585916661.db2.gz NCOPZRXEGDAJIM-VIFPVBQESA-N 0 3 243.303 0.823 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)CCCC(N)=O ZINC000787925123 585917313 /nfs/dbraw/zinc/91/73/13/585917313.db2.gz WULRRJICGVKLDH-JTQLQIEISA-N 0 3 241.335 0.243 20 0 BCADHN CSC1(CNC(=S)NCCN(C)C)CC1 ZINC000788322601 585921735 /nfs/dbraw/zinc/92/17/35/585921735.db2.gz ZRNUZPMOGLZPBJ-UHFFFAOYSA-N 0 3 247.433 0.908 20 0 BCADHN CC(C)NC(=O)CN[C@@H](C)c1cc[nH]c(=O)c1 ZINC000788506584 585925957 /nfs/dbraw/zinc/92/59/57/585925957.db2.gz WKLOBJLWIWKTRV-VIFPVBQESA-N 0 3 237.303 0.962 20 0 BCADHN C[C@@H]1OCC[C@]1(O)CNCc1ccc(F)nc1 ZINC000788534663 585926328 /nfs/dbraw/zinc/92/63/28/585926328.db2.gz HTUXEXBIAVRODH-CABZTGNLSA-N 0 3 240.278 0.850 20 0 BCADHN C[C@H]1OCC[C@]1(O)CNCc1ccc(F)nc1 ZINC000788534666 585926405 /nfs/dbraw/zinc/92/64/05/585926405.db2.gz HTUXEXBIAVRODH-SKDRFNHKSA-N 0 3 240.278 0.850 20 0 BCADHN C[NH+](C)CCCCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000788568921 585927010 /nfs/dbraw/zinc/92/70/10/585927010.db2.gz DXSGFJMZGOJADP-LLVKDONJSA-N 0 3 244.335 0.803 20 0 BCADHN CC(=O)Nc1ccc(CN[C@H](C)CCO)cn1 ZINC000788608222 585927782 /nfs/dbraw/zinc/92/77/82/585927782.db2.gz OTJVAUAZJCTVJG-SECBINFHSA-N 0 3 237.303 0.901 20 0 BCADHN COCCONC(=O)NC[C@H](C)N(C)C1CC1 ZINC000788973284 585932702 /nfs/dbraw/zinc/93/27/02/585932702.db2.gz MMXNLXPHCXQEBK-VIFPVBQESA-N 0 3 245.323 0.346 20 0 BCADHN COCCONC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000789020427 585933241 /nfs/dbraw/zinc/93/32/41/585933241.db2.gz GQEHFWKMTXPZNY-VIFPVBQESA-N 0 3 243.307 0.100 20 0 BCADHN COCCONC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000789043255 585934091 /nfs/dbraw/zinc/93/40/91/585934091.db2.gz ZNKBRPVKKFVZKP-UWVGGRQHSA-N 0 3 245.323 0.346 20 0 BCADHN CN1CC[C@@H](NC(=S)NC2(C)CC2)C1 ZINC000789208721 585936818 /nfs/dbraw/zinc/93/68/18/585936818.db2.gz XMYHJHMEHAUSNO-MRVPVSSYSA-N 0 3 213.350 0.707 20 0 BCADHN COCCONC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000789346374 585940744 /nfs/dbraw/zinc/94/07/44/585940744.db2.gz IHONVQHPBFNTGI-SNVBAGLBSA-N 0 3 245.323 0.300 20 0 BCADHN O=C(CCN1CC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000789354772 585941303 /nfs/dbraw/zinc/94/13/03/585941303.db2.gz MJKAFEFGKZOANE-ZDUSSCGKSA-N 0 3 236.315 0.568 20 0 BCADHN CCN(CCCCCCO)CC(N)=O ZINC000789522343 585943738 /nfs/dbraw/zinc/94/37/38/585943738.db2.gz DJOJHQQPUMUGMJ-UHFFFAOYSA-N 0 3 202.298 0.346 20 0 BCADHN O=C1C[C@@]2(CCN(Cc3ccoc3)C2)CN1 ZINC000789770370 585949604 /nfs/dbraw/zinc/94/96/04/585949604.db2.gz WJXFOSIKAGDONN-LBPRGKRZSA-N 0 3 220.272 0.992 20 0 BCADHN C/C=C(/CC)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000789847937 585951713 /nfs/dbraw/zinc/95/17/13/585951713.db2.gz PQQWBZXJNUOWTM-GFSSTFBJSA-N 0 3 226.320 0.526 20 0 BCADHN Cc1nn[nH]c1C(=O)NC[C@H]1CCCN(C)C1 ZINC000789938231 585954195 /nfs/dbraw/zinc/95/41/95/585954195.db2.gz REWNIPKYFDIABS-SECBINFHSA-N 0 3 237.307 0.185 20 0 BCADHN CN(C(=O)CC1OCCO1)C1CCN(C)CC1 ZINC000789940730 585954383 /nfs/dbraw/zinc/95/43/83/585954383.db2.gz DVKJPRJYUZYBKW-UHFFFAOYSA-N 0 3 242.319 0.302 20 0 BCADHN Cc1nn[nH]c1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000789990371 585955842 /nfs/dbraw/zinc/95/58/42/585955842.db2.gz NKHKPEUVABBKHK-IONNQARKSA-N 0 3 249.318 0.468 20 0 BCADHN Cc1nn[n-]c1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000790024932 585956315 /nfs/dbraw/zinc/95/63/15/585956315.db2.gz YOYUVPNVBBNKND-UHFFFAOYSA-N 0 3 249.318 0.495 20 0 BCADHN Cc1nn[n-]c1C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000790024932 585956316 /nfs/dbraw/zinc/95/63/16/585956316.db2.gz YOYUVPNVBBNKND-UHFFFAOYSA-N 0 3 249.318 0.495 20 0 BCADHN CON(C)C(=O)CN1CCCC[C@H]1C[C@H](C)O ZINC000790435890 585964621 /nfs/dbraw/zinc/96/46/21/585964621.db2.gz FTABFDCAKQYDED-QWRGUYRKSA-N 0 3 244.335 0.632 20 0 BCADHN CON(C)C(=O)CN1CCCC[C@@H]1C[C@@H](C)O ZINC000790435888 585964657 /nfs/dbraw/zinc/96/46/57/585964657.db2.gz FTABFDCAKQYDED-GHMZBOCLSA-N 0 3 244.335 0.632 20 0 BCADHN C[C@H](O)C[C@H]1CCCCN1CC1OCCO1 ZINC000790435768 585964759 /nfs/dbraw/zinc/96/47/59/585964759.db2.gz DAIHTHAXIREXPU-WDEREUQCSA-N 0 3 229.320 0.985 20 0 BCADHN CC1(C)CN(CC[C@@H]2CCOC2=O)C[C@@H]1O ZINC000790448768 585964903 /nfs/dbraw/zinc/96/49/03/585964903.db2.gz ZPRQWPNZLQXOBD-ZJUUUORDSA-N 0 3 227.304 0.642 20 0 BCADHN CONC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000790542857 585966087 /nfs/dbraw/zinc/96/60/87/585966087.db2.gz PMXLWGMIFNAFFI-VIFPVBQESA-N 0 3 229.324 0.967 20 0 BCADHN Cc1ccc([C@@H](O)CN[C@@H]2CCN(C)C2=O)cc1 ZINC000791136821 585974495 /nfs/dbraw/zinc/97/44/95/585974495.db2.gz PHLNTWCGRQNPDO-OLZOCXBDSA-N 0 3 248.326 0.849 20 0 BCADHN COC/C=C\C(=O)N(C)C1CCN(C)CC1 ZINC000791288760 585976009 /nfs/dbraw/zinc/97/60/09/585976009.db2.gz AXHCGWNVSDFVGT-PLNGDYQASA-N 0 3 226.320 0.742 20 0 BCADHN COC/C=C\C(=O)N1CCN(CC(C)C)CC1 ZINC000791302284 585976485 /nfs/dbraw/zinc/97/64/85/585976485.db2.gz VVPSFLXCRRUOAX-PLNGDYQASA-N 0 3 240.347 0.989 20 0 BCADHN COC/C=C/C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000791346497 585978130 /nfs/dbraw/zinc/97/81/30/585978130.db2.gz GUERNIQYGBXIOW-OKPNEXGHSA-N 0 3 226.320 0.742 20 0 BCADHN COC/C=C/C(=O)N(CCOC)CCN(C)C ZINC000791352003 585978348 /nfs/dbraw/zinc/97/83/48/585978348.db2.gz HXGMYRGEHRMKEZ-AATRIKPKSA-N 0 3 244.335 0.226 20 0 BCADHN CCOC[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000792032089 585994228 /nfs/dbraw/zinc/99/42/28/585994228.db2.gz HVFZFTJIEMGJTF-RKDXNWHRSA-N 0 3 229.276 0.433 20 0 BCADHN Cc1c[nH]cc(C(=O)OCCCN(C)C)c1=O ZINC000792120772 585996018 /nfs/dbraw/zinc/99/60/18/585996018.db2.gz XUAHIZWUXDPBPW-UHFFFAOYSA-N 0 3 238.287 0.792 20 0 BCADHN CCN1CCC(NC(=O)CC2OCCO2)CC1 ZINC000792860256 586005896 /nfs/dbraw/zinc/00/58/96/586005896.db2.gz ZQPCDSOFYNZHKP-UHFFFAOYSA-N 0 3 242.319 0.350 20 0 BCADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC1 ZINC000792988950 586008220 /nfs/dbraw/zinc/00/82/20/586008220.db2.gz YLINWGQKLZCLKG-SNVBAGLBSA-N 0 3 244.335 0.968 20 0 BCADHN C[C@H](CNC(=O)CC1OCCCO1)N(C)C ZINC000793017671 586008467 /nfs/dbraw/zinc/00/84/67/586008467.db2.gz ROTXMRJGKHBWAF-SECBINFHSA-N 0 3 230.308 0.206 20 0 BCADHN C[C@H](CNC(=O)C[C@H]1CCCOC1)N(C)C ZINC000793018114 586008653 /nfs/dbraw/zinc/00/86/53/586008653.db2.gz VTQSXIHDQGXKEI-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H](O)CNC(=S)NC1CCN(C)CC1 ZINC000793288410 586016398 /nfs/dbraw/zinc/01/63/98/586016398.db2.gz LJITUOLNVOILSF-JTQLQIEISA-N 0 3 245.392 0.316 20 0 BCADHN CN1CCC[C@H](NC(=O)CC2OCCCO2)C1 ZINC000793441893 586020117 /nfs/dbraw/zinc/02/01/17/586020117.db2.gz SQXWIMOOABXHDM-JTQLQIEISA-N 0 3 242.319 0.350 20 0 BCADHN C[C@@H]1OCC[C@H]1COC(=O)C1CCN(C)C1=O ZINC000793439997 586020137 /nfs/dbraw/zinc/02/01/37/586020137.db2.gz HLZJDNKFKFDMOZ-LPEHRKFASA-N 0 3 241.287 0.433 20 0 BCADHN Cc1cc([C@@H](C)NC[C@H]2COCCO2)n(C)n1 ZINC000793523988 586021568 /nfs/dbraw/zinc/02/15/68/586021568.db2.gz RALHCXKCTMOUSH-MNOVXSKESA-N 0 3 239.319 0.795 20 0 BCADHN COC[C@@](C)(O)CN[C@@H](C)c1cc(C)nn1C ZINC000793543921 586022521 /nfs/dbraw/zinc/02/25/21/586022521.db2.gz WXUIUQVCPDGSME-JQWIXIFHSA-N 0 3 241.335 0.777 20 0 BCADHN CN(C)CCN(C)C(=O)CC1OCCCO1 ZINC000793601229 586023980 /nfs/dbraw/zinc/02/39/80/586023980.db2.gz LRJIRMUBCVBNIQ-UHFFFAOYSA-N 0 3 230.308 0.160 20 0 BCADHN CCn1cc(CCN2C[C@H]3C[C@@]3(CO)C2)cn1 ZINC000794569939 586044323 /nfs/dbraw/zinc/04/43/23/586044323.db2.gz ZAPFYTWCQROVSM-OLZOCXBDSA-N 0 3 235.331 0.760 20 0 BCADHN CN(C)CCNC(=O)/C=C/c1cnn(C)c1 ZINC000794733350 586047610 /nfs/dbraw/zinc/04/76/10/586047610.db2.gz DLNMBBJCJDSCIA-SNAWJCMRSA-N 0 3 222.292 0.111 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCSC)C[C@@H]21 ZINC000794954954 586057824 /nfs/dbraw/zinc/05/78/24/586057824.db2.gz ZXNFZEVVSSVTFH-BRPSZJMVSA-N 0 3 215.318 0.700 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCn3cccn3)C[C@@H]21 ZINC000794963206 586058446 /nfs/dbraw/zinc/05/84/46/586058446.db2.gz ASQROTCCTCOYME-URLYPYJESA-N 0 3 235.287 0.234 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCc3ccnn3C)C[C@@H]21 ZINC000794968190 586059077 /nfs/dbraw/zinc/05/90/77/586059077.db2.gz QIVNYEWIRUQJFY-GDNZZTSVSA-N 0 3 249.314 0.313 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCn3ccnc3C)C[C@@H]21 ZINC000794985808 586061662 /nfs/dbraw/zinc/06/16/62/586061662.db2.gz FZDAHLXQTQDZOJ-GDNZZTSVSA-N 0 3 249.314 0.542 20 0 BCADHN CCN(CC1CC(OC)C1)[C@@H]1CCNC1=O ZINC000859295959 589028857 /nfs/dbraw/zinc/02/88/57/589028857.db2.gz VUGBKZGCGGKQGX-VQXHTEKXSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1CSC[C@@H]1NC(=S)NCCN(C)C ZINC000795135417 586069127 /nfs/dbraw/zinc/06/91/27/586069127.db2.gz IBHYCLJINYYOMK-IUCAKERBSA-N 0 3 247.433 0.764 20 0 BCADHN COCCN(C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000795126567 586069269 /nfs/dbraw/zinc/06/92/69/586069269.db2.gz XVMTYQJKKUUEDT-LLVKDONJSA-N 0 3 243.351 0.616 20 0 BCADHN COCCN(C)C(=O)NCCN1CC[C@H](C)C1 ZINC000795126568 586069324 /nfs/dbraw/zinc/06/93/24/586069324.db2.gz XVMTYQJKKUUEDT-NSHDSACASA-N 0 3 243.351 0.616 20 0 BCADHN C[C@@H]1CC[C@H]1NC(=S)NCCN(C)C ZINC000795166556 586070289 /nfs/dbraw/zinc/07/02/89/586070289.db2.gz QDCYASZJOCGQLO-RKDXNWHRSA-N 0 3 215.366 0.811 20 0 BCADHN CN(CCCCS(C)(=O)=O)C1(CO)CCC1 ZINC000795202138 586071810 /nfs/dbraw/zinc/07/18/10/586071810.db2.gz SVMGZYRVZLVVCH-UHFFFAOYSA-N 0 3 249.376 0.658 20 0 BCADHN CCCN(CCCCCCO)CC(N)=O ZINC000795511158 586082201 /nfs/dbraw/zinc/08/22/01/586082201.db2.gz OFHMZWURWNBRLQ-UHFFFAOYSA-N 0 3 216.325 0.736 20 0 BCADHN C[C@@H](O)CCCOC(=O)C1CCN(C)C1=O ZINC000795596416 586087935 /nfs/dbraw/zinc/08/79/35/586087935.db2.gz DXENECYNUVMHGP-RKDXNWHRSA-N 0 3 229.276 0.169 20 0 BCADHN COC(=O)/C(C)=C/CN(C)C1(CO)CC1 ZINC000796500393 586105327 /nfs/dbraw/zinc/10/53/27/586105327.db2.gz GTKYYLJPUSOSHR-RUDMXATFSA-N 0 3 213.277 0.562 20 0 BCADHN COC(=O)[C@@H]1C[C@H](F)CN1CCN1CCCC1 ZINC000796508515 586105345 /nfs/dbraw/zinc/10/53/45/586105345.db2.gz XIPLQYXQEXXDPT-QWRGUYRKSA-N 0 3 244.310 0.668 20 0 BCADHN NC(=O)NC(=O)CCN1CCC(F)(F)CC1 ZINC000796539477 586106369 /nfs/dbraw/zinc/10/63/69/586106369.db2.gz ADMXMPVEUFPMCG-UHFFFAOYSA-N 0 3 235.234 0.303 20 0 BCADHN CNC(=O)CCN1CCC(F)(F)CC1 ZINC000796552906 586106766 /nfs/dbraw/zinc/10/67/66/586106766.db2.gz VMYWLLSGYPIPRW-UHFFFAOYSA-N 0 3 206.236 0.854 20 0 BCADHN C[C@@H](CO)N(CC1CCC1)CC1OCCO1 ZINC000796544584 586106769 /nfs/dbraw/zinc/10/67/69/586106769.db2.gz AWLWBHUDEHQVLC-JTQLQIEISA-N 0 3 229.320 0.842 20 0 BCADHN CC(=O)OC[C@H](C)NCCOC[C@@H]1CCCO1 ZINC000798182872 586138848 /nfs/dbraw/zinc/13/88/48/586138848.db2.gz KWLVTEDMALCNPO-JQWIXIFHSA-N 0 3 245.319 0.723 20 0 BCADHN C[S@@](=O)CCN1CC[C@]2(CCOC2)C1 ZINC000798195550 586139695 /nfs/dbraw/zinc/13/96/95/586139695.db2.gz FYQWUSZKFWVPIH-IINYFYTJSA-N 0 3 217.334 0.477 20 0 BCADHN CCN(CC)[C@@H]1CCN(CC[S@@](C)=O)C1 ZINC000798197222 586140169 /nfs/dbraw/zinc/14/01/69/586140169.db2.gz PTTIHRZYKVBOEZ-IAQYHMDHSA-N 0 3 232.393 0.781 20 0 BCADHN CCN(CC)[C@H]1CCN(CC[S@](C)=O)C1 ZINC000798197224 586140532 /nfs/dbraw/zinc/14/05/32/586140532.db2.gz PTTIHRZYKVBOEZ-NHYWBVRUSA-N 0 3 232.393 0.781 20 0 BCADHN CN(C)CC1(NC(=O)c2cccc[n+]2[O-])CCC1 ZINC000799038103 586154880 /nfs/dbraw/zinc/15/48/80/586154880.db2.gz HRLTWBOQKJEWCP-UHFFFAOYSA-N 0 3 249.314 0.534 20 0 BCADHN O=C1CC[C@@H](N2C3CCC2CC3)C(=O)N1 ZINC000799109274 586157222 /nfs/dbraw/zinc/15/72/22/586157222.db2.gz BPUJSZLZPITTRY-AMDVSUOASA-N 0 3 208.261 0.418 20 0 BCADHN CCN(C[C@@H]1CCOC1)[C@H]1CCC(=O)NC1=O ZINC000799113747 586157600 /nfs/dbraw/zinc/15/76/00/586157600.db2.gz KVVUAMGEJMIALQ-UWVGGRQHSA-N 0 3 240.303 0.150 20 0 BCADHN CCOC[C@H]1CCN([C@H]2CCC(=O)NC2=O)C1 ZINC000799125225 586159526 /nfs/dbraw/zinc/15/95/26/586159526.db2.gz JTRXWXSEYXZEAS-UWVGGRQHSA-N 0 3 240.303 0.150 20 0 BCADHN C[C@@H]1CCN([C@H]2CCC(=O)NC2=O)[C@@H]1C ZINC000799125522 586159834 /nfs/dbraw/zinc/15/98/34/586159834.db2.gz OUUUHSMGQSDIEZ-HLTSFMKQSA-N 0 3 210.277 0.522 20 0 BCADHN CC[C@@H]1CCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000799128548 586160747 /nfs/dbraw/zinc/16/07/47/586160747.db2.gz QKMRVVLOTWGKDS-RKDXNWHRSA-N 0 3 210.277 0.524 20 0 BCADHN CCCN(CCO)C[C@@H](O)c1ccc(F)cn1 ZINC000799295599 586169507 /nfs/dbraw/zinc/16/95/07/586169507.db2.gz SEDATSOFMDMBFK-GFCCVEGCSA-N 0 3 242.294 0.958 20 0 BCADHN CCN(CCCO)C[C@H](O)c1ccc(F)cn1 ZINC000799303087 586170574 /nfs/dbraw/zinc/17/05/74/586170574.db2.gz AWAGAWGDSPJALS-LBPRGKRZSA-N 0 3 242.294 0.958 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)c2ccc(F)cn2)C[C@@H]1O ZINC000799310945 586171298 /nfs/dbraw/zinc/17/12/98/586171298.db2.gz KPQVNIUNHGECCA-JFUSQASVSA-N 0 3 240.278 0.567 20 0 BCADHN COC(=O)CC1(CN2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000799322791 586171854 /nfs/dbraw/zinc/17/18/54/586171854.db2.gz LBWXEQNQUFVUAP-GXFFZTMASA-N 0 3 239.315 0.644 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@H](O)c1ccccc1 ZINC000799346344 586172379 /nfs/dbraw/zinc/17/23/79/586172379.db2.gz KEQWATBCNPQLGS-KGYLQXTDSA-N 0 3 248.326 0.834 20 0 BCADHN COCC1(COC(=O)C2CCN(C)C2=O)CC1 ZINC000799665518 586188665 /nfs/dbraw/zinc/18/86/65/586188665.db2.gz YOUVDCHPGNUNPQ-SECBINFHSA-N 0 3 241.287 0.435 20 0 BCADHN C/C=C/C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000799744247 586196181 /nfs/dbraw/zinc/19/61/81/586196181.db2.gz JDIOHLQXYYUSQF-AATRIKPKSA-N 0 3 239.363 0.705 20 0 BCADHN CCN1CC[C@@H](NC(=O)C2=COCCC2)C1 ZINC000839898199 586211998 /nfs/dbraw/zinc/21/19/98/586211998.db2.gz CETNOOQXNOAMJF-LLVKDONJSA-N 0 3 224.304 0.891 20 0 BCADHN 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QZLTYEABTZRRNR-UHFFFAOYSA-N 0 3 235.287 0.968 20 0 BCADHN CCNCC(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000818562269 586901375 /nfs/dbraw/zinc/90/13/75/586901375.db2.gz ZRFMEGQDNDZGSY-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN CN(C/C=C\Cl)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859959285 589074009 /nfs/dbraw/zinc/07/40/09/589074009.db2.gz GCJZFEMEBQKVON-UPRYCODTSA-N 0 3 202.685 0.935 20 0 BCADHN CCNCC(=O)N(C)CCc1cnccn1 ZINC000818606821 586905153 /nfs/dbraw/zinc/90/51/53/586905153.db2.gz NOCMXZFAWIQXPI-UHFFFAOYSA-N 0 3 222.292 0.087 20 0 BCADHN CC(Cl)(Cl)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000818603806 586905492 /nfs/dbraw/zinc/90/54/92/586905492.db2.gz NRXUKRGQRWHHDG-WDSKDSINSA-N 0 3 243.109 0.996 20 0 BCADHN CCNCC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000818606426 586905801 /nfs/dbraw/zinc/90/58/01/586905801.db2.gz DPTPXPAPQDEZHE-QWRGUYRKSA-N 0 3 226.320 0.670 20 0 BCADHN CCNCC(=O)N[C@H](C)[C@H](C)C(=O)OCC ZINC000818609080 586905973 /nfs/dbraw/zinc/90/59/73/586905973.db2.gz PZNMMWOVWMGHDE-DTWKUNHWSA-N 0 3 230.308 0.300 20 0 BCADHN CN(C[C@H](O)c1ccccn1)C[C@H]1C[C@@H](O)C1 ZINC000859971120 589074505 /nfs/dbraw/zinc/07/45/05/589074505.db2.gz PPTWPGLCCATUID-LOWVWBTDSA-N 0 3 236.315 0.818 20 0 BCADHN CS(=O)(=O)CCNC[C@H]1CC1(Cl)Cl ZINC000818948420 586916557 /nfs/dbraw/zinc/91/65/57/586916557.db2.gz DKHRWSKYQUSPLG-ZCFIWIBFSA-N 0 3 246.159 0.814 20 0 BCADHN CO[C@H](CNC[C@@H](O)CSC)C(F)(F)F ZINC000819070188 586929213 /nfs/dbraw/zinc/92/92/13/586929213.db2.gz TYQHPZFXIQPWIA-RNFRBKRXSA-N 0 3 247.282 0.877 20 0 BCADHN C[C@H](Cn1cncn1)NC[C@@H](O)c1ccccc1 ZINC000818980184 586919764 /nfs/dbraw/zinc/91/97/64/586919764.db2.gz AHFZJZIZTFPMGA-DGCLKSJQSA-N 0 3 246.314 0.990 20 0 BCADHN CN(C)CCNC(=O)/C=C/[C@H]1CCCO1 ZINC000818997583 586921867 /nfs/dbraw/zinc/92/18/67/586921867.db2.gz GJSIGRXPFGWMBW-BRAIEQGRSA-N 0 3 212.293 0.399 20 0 BCADHN CN1CCCN(C(=O)/C=C/[C@H]2CCCO2)CC1 ZINC000819002161 586923006 /nfs/dbraw/zinc/92/30/06/586923006.db2.gz IGACVYUKGSSMRI-BTDICHCPSA-N 0 3 238.331 0.886 20 0 BCADHN CN(C)CCNC(=S)N[C@H]1CC12CC2 ZINC000819025314 586925333 /nfs/dbraw/zinc/92/53/33/586925333.db2.gz MVBAVTBCPGFBSQ-QMMMGPOBSA-N 0 3 213.350 0.565 20 0 BCADHN C[S@](=O)CCNC[C@H](O)Cc1ccccc1 ZINC000819035251 586926293 /nfs/dbraw/zinc/92/62/93/586926293.db2.gz WKWYDFLEXZZCHE-WBMJQRKESA-N 0 3 241.356 0.558 20 0 BCADHN Cc1ccc([C@@H](O)CNCC[S@](C)=O)cc1 ZINC000819035253 586926449 /nfs/dbraw/zinc/92/64/49/586926449.db2.gz WMTKQLLYQVGNSG-LRDDRELGSA-N 0 3 241.356 0.997 20 0 BCADHN CCc1cc(CNC[C@@H](O)Cn2cccn2)n[nH]1 ZINC000819053886 586927724 /nfs/dbraw/zinc/92/77/24/586927724.db2.gz LDHIFWOBAHSFNV-GFCCVEGCSA-N 0 3 249.318 0.319 20 0 BCADHN CCc1cc(CNC[C@@H](O)Cn2cccn2)[nH]n1 ZINC000819053886 586927725 /nfs/dbraw/zinc/92/77/25/586927725.db2.gz LDHIFWOBAHSFNV-GFCCVEGCSA-N 0 3 249.318 0.319 20 0 BCADHN CCN1CCCC[C@@H]1CNCCS(C)(=O)=O ZINC000819050134 586927755 /nfs/dbraw/zinc/92/77/55/586927755.db2.gz HNSCOEYQGBAWTH-LLVKDONJSA-N 0 3 248.392 0.495 20 0 BCADHN COC[C@@H](O)CNCc1ccc([C@H](C)O)cc1 ZINC000819131265 586932319 /nfs/dbraw/zinc/93/23/19/586932319.db2.gz NEPZRBCQTCTSCT-GWCFXTLKSA-N 0 3 239.315 0.837 20 0 BCADHN CC(C)OC[C@@H](O)CNC1COC(C)(C)OC1 ZINC000819226649 586940737 /nfs/dbraw/zinc/94/07/37/586940737.db2.gz VHXKKZCAACVWHJ-NSHDSACASA-N 0 3 247.335 0.513 20 0 BCADHN CS(=O)(=O)CCNCCC[C@H]1CCCCO1 ZINC000819234944 586941493 /nfs/dbraw/zinc/94/14/93/586941493.db2.gz USZUCTAGMPBMJG-LLVKDONJSA-N 0 3 249.376 0.970 20 0 BCADHN COc1ccc(CNC[C@@H](O)C2CC2)nc1 ZINC000819266378 586945097 /nfs/dbraw/zinc/94/50/97/586945097.db2.gz MNVJFNVUDQEOLG-GFCCVEGCSA-N 0 3 222.288 0.951 20 0 BCADHN COc1ccc(CNC[C@H](O)C2CC2)nc1 ZINC000819266379 586945396 /nfs/dbraw/zinc/94/53/96/586945396.db2.gz MNVJFNVUDQEOLG-LBPRGKRZSA-N 0 3 222.288 0.951 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000819271788 586945797 /nfs/dbraw/zinc/94/57/97/586945797.db2.gz WNDLTXARCPDIPD-ILWJIGKKSA-N 0 3 217.334 0.809 20 0 BCADHN CSCCONC[C@H](O)CN(C)C1CC1 ZINC000819277657 586946923 /nfs/dbraw/zinc/94/69/23/586946923.db2.gz FHLUXXIGMJACRB-JTQLQIEISA-N 0 3 234.365 0.326 20 0 BCADHN O[C@@H](CN[C@H]1[C@@H]2COC[C@@H]21)c1ccc(F)cn1 ZINC000819277816 586947335 /nfs/dbraw/zinc/94/73/35/586947335.db2.gz GTBWBEOXULDXDH-BSJXLVFVSA-N 0 3 238.262 0.489 20 0 BCADHN CC(C)CC[C@@H](O)CNCc1cnnn1C ZINC000819314976 586950681 /nfs/dbraw/zinc/95/06/81/586950681.db2.gz OVPWNUKMGNBFMB-LLVKDONJSA-N 0 3 226.324 0.702 20 0 BCADHN CC(C)OCCONC[C@H](O)CN(C)C1CC1 ZINC000819325235 586952131 /nfs/dbraw/zinc/95/21/31/586952131.db2.gz AHCVXTDURGAEKW-LBPRGKRZSA-N 0 3 246.351 0.388 20 0 BCADHN O=C1[C@H](NC[C@@H](O)C2CC2)C[C@@H]2CCCCN12 ZINC000819358432 586956409 /nfs/dbraw/zinc/95/64/09/586956409.db2.gz HKBRDOMPPKMDHL-QJPTWQEYSA-N 0 3 238.331 0.500 20 0 BCADHN CCO[C@H]1C[C@@H](NCCS(C)(=O)=O)C1 ZINC000819359724 586956840 /nfs/dbraw/zinc/95/68/40/586956840.db2.gz GUSDUOYCNMYOAU-DTORHVGOSA-N 0 3 221.322 0.188 20 0 BCADHN CCO[C@@H]1CCC[C@H]1NCCS(C)(=O)=O ZINC000819362278 586957041 /nfs/dbraw/zinc/95/70/41/586957041.db2.gz VPWQPGYVRUPHCH-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN CC(C)[C@@H]1C[C@H]1NCCS(C)(=O)=O ZINC000819364928 586957740 /nfs/dbraw/zinc/95/77/40/586957740.db2.gz YYXOTFLYVSCPMH-DTWKUNHWSA-N 0 3 205.323 0.665 20 0 BCADHN CO[C@](C)([C@@H](C)NCCS(C)(=O)=O)C1CC1 ZINC000819369517 586957775 /nfs/dbraw/zinc/95/77/75/586957775.db2.gz XMLHPYAYMWUTCF-MWLCHTKSSA-N 0 3 249.376 0.824 20 0 BCADHN CCC(O)(CC)CN(C)CC1OCCO1 ZINC000860064824 589078874 /nfs/dbraw/zinc/07/88/74/589078874.db2.gz AVINIVZFMOBDHN-UHFFFAOYSA-N 0 3 217.309 0.842 20 0 BCADHN CC[C@H](C(=O)N[C@@](C)(CO)C1CC1)N(C)C ZINC000840394055 586987311 /nfs/dbraw/zinc/98/73/11/586987311.db2.gz AEPBBDHEVKCLIN-PWSUYJOCSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1C[C@H](CO)CCN1CC1OCCO1 ZINC000860088083 589079960 /nfs/dbraw/zinc/07/99/60/589079960.db2.gz NVVFGIMYOKVQDC-NXEZZACHSA-N 0 3 215.293 0.452 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)C(OC)OC ZINC000820041056 587014485 /nfs/dbraw/zinc/01/44/85/587014485.db2.gz CCSSKNCSDHBTDD-SNVBAGLBSA-N 0 3 244.335 0.596 20 0 BCADHN C[S@@](=O)CCN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860131815 589081626 /nfs/dbraw/zinc/08/16/26/589081626.db2.gz QUSOUONYZRCEGP-HGUJLJSRSA-N 0 3 217.334 0.210 20 0 BCADHN COC(OC)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000820233766 587036895 /nfs/dbraw/zinc/03/68/95/587036895.db2.gz UUDNNBJYSAQNHW-VHSXEESVSA-N 0 3 244.335 0.404 20 0 BCADHN C[C@H](CNC(=O)c1cc(=O)cc[nH]1)CN(C)C ZINC000820241895 587037862 /nfs/dbraw/zinc/03/78/62/587037862.db2.gz XMOBYDIOSZCKLT-SECBINFHSA-N 0 3 237.303 0.302 20 0 BCADHN CC[C@](C)(O)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000820273300 587039775 /nfs/dbraw/zinc/03/97/75/587039775.db2.gz RKSWGMIGGUWWIS-SCVCMEIPSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@H](O)C[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000820481330 587050768 /nfs/dbraw/zinc/05/07/68/587050768.db2.gz UUJVXSCBYCVJJP-ZCFIWIBFSA-N 0 3 239.304 0.399 20 0 BCADHN C[C@@H](O)C[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000820481330 587050769 /nfs/dbraw/zinc/05/07/69/587050769.db2.gz UUJVXSCBYCVJJP-ZCFIWIBFSA-N 0 3 239.304 0.399 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000820562019 587054915 /nfs/dbraw/zinc/05/49/15/587054915.db2.gz RVASFADCBGWPOV-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN COCCO[N-]C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000820613581 587058937 /nfs/dbraw/zinc/05/89/37/587058937.db2.gz GYFVIXWGGQPNRM-VIFPVBQESA-N 0 3 216.281 0.022 20 0 BCADHN COCCO[N-]C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000820613581 587058938 /nfs/dbraw/zinc/05/89/38/587058938.db2.gz GYFVIXWGGQPNRM-VIFPVBQESA-N 0 3 216.281 0.022 20 0 BCADHN COCCO[N-]C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000820613580 587059250 /nfs/dbraw/zinc/05/92/50/587059250.db2.gz GYFVIXWGGQPNRM-SECBINFHSA-N 0 3 216.281 0.022 20 0 BCADHN COCCO[N-]C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000820613580 587059253 /nfs/dbraw/zinc/05/92/53/587059253.db2.gz GYFVIXWGGQPNRM-SECBINFHSA-N 0 3 216.281 0.022 20 0 BCADHN CN1CCCC12CC[NH+](CC(=O)[O-])CC2 ZINC000820619999 587059372 /nfs/dbraw/zinc/05/93/72/587059372.db2.gz DSNFTVVBWGBNEY-UHFFFAOYSA-N 0 3 212.293 0.631 20 0 BCADHN CCOC(=O)CCCN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860159459 589083680 /nfs/dbraw/zinc/08/36/80/589083680.db2.gz IVVBNHPRURJXDB-NXEZZACHSA-N 0 3 241.287 0.435 20 0 BCADHN COC(OC)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000820721306 587068887 /nfs/dbraw/zinc/06/88/87/587068887.db2.gz QYYPYMQASUNTRL-BDAKNGLRSA-N 0 3 242.319 0.347 20 0 BCADHN O=C1OC[C@@H]2CN(C[C@@H]3CCCO3)C[C@H]12 ZINC000860157578 589083836 /nfs/dbraw/zinc/08/38/36/589083836.db2.gz ZAAGHRGWFPBIRC-GUBZILKMSA-N 0 3 211.261 0.270 20 0 BCADHN CC[C@H](COC)N[C@@H](C)c1cnnn1C ZINC000820811787 587074182 /nfs/dbraw/zinc/07/41/82/587074182.db2.gz WDLHHYGZYIEGOY-DTWKUNHWSA-N 0 3 212.297 0.891 20 0 BCADHN C[C@@H](NCCn1ccnc1)c1cnnn1C ZINC000820805850 587073692 /nfs/dbraw/zinc/07/36/92/587073692.db2.gz SRIVTUPCHOFPED-SECBINFHSA-N 0 3 220.280 0.362 20 0 BCADHN COC(OC)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000820830975 587075410 /nfs/dbraw/zinc/07/54/10/587075410.db2.gz CNWYZROYLVJYTI-PSASIEDQSA-N 0 3 242.319 0.204 20 0 BCADHN CCn1cc(CCN2C[C@@H]3COC(=O)[C@@H]3C2)cn1 ZINC000860164609 589084432 /nfs/dbraw/zinc/08/44/32/589084432.db2.gz MTQSBILEDDQXLR-VXGBXAGGSA-N 0 3 249.314 0.550 20 0 BCADHN CCOC(CN1C[C@@H]2COC(=O)[C@@H]2C1)OCC ZINC000860164873 589084516 /nfs/dbraw/zinc/08/45/16/589084516.db2.gz OXJJHPCPRPNOLZ-NXEZZACHSA-N 0 3 243.303 0.490 20 0 BCADHN O=C(CN1CCCC1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000821106832 587095947 /nfs/dbraw/zinc/09/59/47/587095947.db2.gz WVUJDNJTBLSFPZ-SNVBAGLBSA-N 0 3 248.330 0.479 20 0 BCADHN O=C(CN1CCCC1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000821106832 587095948 /nfs/dbraw/zinc/09/59/48/587095948.db2.gz WVUJDNJTBLSFPZ-SNVBAGLBSA-N 0 3 248.330 0.479 20 0 BCADHN CC[C@@H](C(=O)N1CCOCC[C@H]1C)N(C)C ZINC000840411708 587099608 /nfs/dbraw/zinc/09/96/08/587099608.db2.gz VYDFXFRLNYNQLO-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN C/C=C/C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000840457285 587104953 /nfs/dbraw/zinc/10/49/53/587104953.db2.gz WYFBYDYDPKIAAR-SZHMKSFOSA-N 0 3 226.320 0.526 20 0 BCADHN CC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000821323046 587107717 /nfs/dbraw/zinc/10/77/17/587107717.db2.gz PSXWLONFQBJBIL-BETUJISGSA-N 0 3 245.326 0.992 20 0 BCADHN COC(CN1CCN(C)C[C@@H]1C(C)C)OC ZINC000821332484 587108047 /nfs/dbraw/zinc/10/80/47/587108047.db2.gz QQGUKFPILISQAP-LLVKDONJSA-N 0 3 230.352 0.877 20 0 BCADHN CO[C@H]1CC[C@@H](N(C)CC(=O)NC2CC2)C1 ZINC000821349130 587110639 /nfs/dbraw/zinc/11/06/39/587110639.db2.gz UELADEUTZCZTAJ-MNOVXSKESA-N 0 3 226.320 0.764 20 0 BCADHN CN(C[C@@H]1CCCO1)C[C@@H]1CCC(=O)O1 ZINC000821354648 587111387 /nfs/dbraw/zinc/11/13/87/587111387.db2.gz IKJFHQHZGCPXEE-UWVGGRQHSA-N 0 3 213.277 0.803 20 0 BCADHN COCCCN(C)C[C@H]1CCC(=O)O1 ZINC000821362579 587112355 /nfs/dbraw/zinc/11/23/55/587112355.db2.gz LXDFDZIQQBVRRQ-SECBINFHSA-N 0 3 201.266 0.660 20 0 BCADHN C[C@@H](O)C1CCN(C[C@H]2CCC(=O)O2)CC1 ZINC000821375461 587113670 /nfs/dbraw/zinc/11/36/70/587113670.db2.gz YHNRXUMJRRHEMI-MWLCHTKSSA-N 0 3 227.304 0.785 20 0 BCADHN C[C@@H](O)CCN(C)C[C@@H]1CCC(=O)O1 ZINC000821380458 587114448 /nfs/dbraw/zinc/11/44/48/587114448.db2.gz QHRKMWJONPAHEN-BDAKNGLRSA-N 0 3 201.266 0.395 20 0 BCADHN C[C@@H]1CN(C(=O)CN2CCCC2)[C@@H](C)CN1C ZINC000821480435 587121814 /nfs/dbraw/zinc/12/18/14/587121814.db2.gz IPOUIIPOQWTNRW-NEPJUHHUSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000821797930 587138830 /nfs/dbraw/zinc/13/88/30/587138830.db2.gz UIVNNXDGNQIFRD-GHMZBOCLSA-N 0 3 226.320 0.312 20 0 BCADHN COC(OC)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000821810599 587139587 /nfs/dbraw/zinc/13/95/87/587139587.db2.gz AESBGWJFZISESG-SECBINFHSA-N 0 3 242.319 0.372 20 0 BCADHN CCC[C@@H](CC)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000821955674 587147781 /nfs/dbraw/zinc/14/77/81/587147781.db2.gz VTPQVBDZGMGAET-DGCLKSJQSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1O ZINC000822322144 587162151 /nfs/dbraw/zinc/16/21/51/587162151.db2.gz JQBCJYJGVNBJGS-IJLUTSLNSA-N 0 3 240.347 0.889 20 0 BCADHN C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)C ZINC000822460685 587169130 /nfs/dbraw/zinc/16/91/30/587169130.db2.gz KKWPQHMCAVNTBW-ZETCQYMHSA-N 0 3 244.726 0.753 20 0 BCADHN C[C@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)C ZINC000822460682 587169357 /nfs/dbraw/zinc/16/93/57/587169357.db2.gz KKWPQHMCAVNTBW-SSDOTTSWSA-N 0 3 244.726 0.753 20 0 BCADHN CS[C@@H]1CC[C@H]1NC[C@@H](O)c1cnn(C)c1 ZINC000822462724 587169408 /nfs/dbraw/zinc/16/94/08/587169408.db2.gz BKADBXSTPAKGGH-GMTAPVOTSA-N 0 3 241.360 0.937 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1COCO1 ZINC000822569995 587175702 /nfs/dbraw/zinc/17/57/02/587175702.db2.gz ZZHUBXYTTPZVAF-GHMZBOCLSA-N 0 3 242.319 0.348 20 0 BCADHN CN(C)C1(CNC(=O)C2(n3cccn3)CC2)CC1 ZINC000822931126 587194032 /nfs/dbraw/zinc/19/40/32/587194032.db2.gz KYKYWQNPZPLFPA-UHFFFAOYSA-N 0 3 248.330 0.583 20 0 BCADHN C[C@H](O)CCN1CCC2(CNC(=O)O2)CC1 ZINC000822941231 587194980 /nfs/dbraw/zinc/19/49/80/587194980.db2.gz CROVCXWYBSVDPC-VIFPVBQESA-N 0 3 228.292 0.332 20 0 BCADHN CCCN1CC[C@H](NC(=O)N(C)OC)C1 ZINC000823049036 587199643 /nfs/dbraw/zinc/19/96/43/587199643.db2.gz KVKQLXMMGQTTIK-VIFPVBQESA-N 0 3 215.297 0.674 20 0 BCADHN O=C(CN1CCCC1)N1CC(C2CC2)C1 ZINC000823062700 587200680 /nfs/dbraw/zinc/20/06/80/587200680.db2.gz KUUZAVCXFSLIBH-UHFFFAOYSA-N 0 3 208.305 0.951 20 0 BCADHN CN1CCC[C@H](NC(=O)CC2(O)CCC2)C1 ZINC000823132873 587204145 /nfs/dbraw/zinc/20/41/45/587204145.db2.gz JYLONJFEOZPLTG-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN CCn1nccc1-c1nc(N2CCNCC2)no1 ZINC000823304185 587214695 /nfs/dbraw/zinc/21/46/95/587214695.db2.gz LLUAWXZPFYBOIS-UHFFFAOYSA-N 0 3 248.290 0.363 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)CC1(O)CCC1 ZINC000823306747 587215622 /nfs/dbraw/zinc/21/56/22/587215622.db2.gz YIXTVLMDGGOVIR-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN CCc1ocnc1-c1nc(N2CCNCC2)no1 ZINC000823334158 587216672 /nfs/dbraw/zinc/21/66/72/587216672.db2.gz ATKMLJZGCAHWFY-UHFFFAOYSA-N 0 3 249.274 0.697 20 0 BCADHN CC[C@H](C)OCc1nc(N2CCNCC2)no1 ZINC000823331101 587216851 /nfs/dbraw/zinc/21/68/51/587216851.db2.gz YMXCGMGGYKPEOG-VIFPVBQESA-N 0 3 240.307 0.794 20 0 BCADHN COC(OC)C(=O)NCCN1CCCC1(C)C ZINC000823467802 587224571 /nfs/dbraw/zinc/22/45/71/587224571.db2.gz DXTSFTPBVOEHOP-UHFFFAOYSA-N 0 3 244.335 0.596 20 0 BCADHN CN(CC(=O)NC[C@@H]1COCO1)CC(C)(C)C ZINC000823558484 587231102 /nfs/dbraw/zinc/23/11/02/587231102.db2.gz JEBGDGRFWVFIGX-SNVBAGLBSA-N 0 3 244.335 0.453 20 0 BCADHN O=C(Cc1ncc[nH]1)N[C@@H]1CCN(C2CC2)C1 ZINC000823663890 587235750 /nfs/dbraw/zinc/23/57/50/587235750.db2.gz NDOLXFBPOXDICH-SECBINFHSA-N 0 3 234.303 0.305 20 0 BCADHN C[NH+](C)[C@H]1C[C@@H](NC(=O)c2c[n-]nn2)C1(C)C ZINC000824084450 587254472 /nfs/dbraw/zinc/25/44/72/587254472.db2.gz GJIOBEUPXXHRAJ-BDAKNGLRSA-N 0 3 237.307 0.263 20 0 BCADHN C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cnn[n-]2)C1(C)C ZINC000824084450 587254474 /nfs/dbraw/zinc/25/44/74/587254474.db2.gz GJIOBEUPXXHRAJ-BDAKNGLRSA-N 0 3 237.307 0.263 20 0 BCADHN C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1(C)C ZINC000824084450 587254475 /nfs/dbraw/zinc/25/44/75/587254475.db2.gz GJIOBEUPXXHRAJ-BDAKNGLRSA-N 0 3 237.307 0.263 20 0 BCADHN C[NH+](C)[C@@H]1C[C@H](NC(=O)c2c[n-]nn2)C1(C)C ZINC000824084451 587254535 /nfs/dbraw/zinc/25/45/35/587254535.db2.gz GJIOBEUPXXHRAJ-DTWKUNHWSA-N 0 3 237.307 0.263 20 0 BCADHN C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cnn[n-]2)C1(C)C ZINC000824084451 587254537 /nfs/dbraw/zinc/25/45/37/587254537.db2.gz GJIOBEUPXXHRAJ-DTWKUNHWSA-N 0 3 237.307 0.263 20 0 BCADHN C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cn[n-]n2)C1(C)C ZINC000824084451 587254538 /nfs/dbraw/zinc/25/45/38/587254538.db2.gz GJIOBEUPXXHRAJ-DTWKUNHWSA-N 0 3 237.307 0.263 20 0 BCADHN COc1nccc(CN[C@](C)(CO)C2CC2)n1 ZINC000824104524 587256135 /nfs/dbraw/zinc/25/61/35/587256135.db2.gz XPJZUAFPMZUYFE-GFCCVEGCSA-N 0 3 237.303 0.736 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N(C)CCN1CCCCC1 ZINC000824115027 587256366 /nfs/dbraw/zinc/25/63/66/587256366.db2.gz GNKSEGOLZYIRME-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C)C1(C(=O)N2CCO[C@@H](CF)C2)CCC1 ZINC000840485130 587258926 /nfs/dbraw/zinc/25/89/26/587258926.db2.gz ZLZSRASXMHOVQH-JTQLQIEISA-N 0 3 244.310 0.668 20 0 BCADHN CCn1nc(C)c(CN(C)CCN(C)C)n1 ZINC000824382926 587268532 /nfs/dbraw/zinc/26/85/32/587268532.db2.gz HSMFEVLHAWWUHF-UHFFFAOYSA-N 0 3 225.340 0.600 20 0 BCADHN COC(OC)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000824778212 587287038 /nfs/dbraw/zinc/28/70/38/587287038.db2.gz JZKNERHMXFYCPV-SECBINFHSA-N 0 3 230.308 0.062 20 0 BCADHN CCN(C(=O)CC1(C)COC1)[C@H]1CCN(C)C1 ZINC000824834918 587289081 /nfs/dbraw/zinc/28/90/81/587289081.db2.gz HTVDHDBXRUESHJ-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)N1CC[C@H](N(C)Cc2cnn(C)n2)C1 ZINC000825338876 587315742 /nfs/dbraw/zinc/31/57/42/587315742.db2.gz WROJYHIMTFHSQG-LBPRGKRZSA-N 0 3 237.351 0.730 20 0 BCADHN CN(CCO)CCN(C)C(=O)[C@]1(C)C=CCC1 ZINC000825526475 587321544 /nfs/dbraw/zinc/32/15/44/587321544.db2.gz HCPREGYXXFRISW-CYBMUJFWSA-N 0 3 240.347 0.725 20 0 BCADHN C[C@@H]1C[C@@H](NCCNC(=O)[O-])CC[N@@H+]1C ZINC000825853098 587340414 /nfs/dbraw/zinc/34/04/14/587340414.db2.gz TXNATWAJKUQVPE-BDAKNGLRSA-N 0 3 215.297 0.326 20 0 BCADHN C[C@@H]1C[C@@H](NCCNC(=O)[O-])CC[N@H+]1C ZINC000825853098 587340415 /nfs/dbraw/zinc/34/04/15/587340415.db2.gz TXNATWAJKUQVPE-BDAKNGLRSA-N 0 3 215.297 0.326 20 0 BCADHN Cc1ccnc(NCC[NH+](C)C)c1-c1nnn[n-]1 ZINC000826313496 587352465 /nfs/dbraw/zinc/35/24/65/587352465.db2.gz JBULSHCMLLAYDJ-UHFFFAOYSA-N 0 3 247.306 0.544 20 0 BCADHN Cc1ccnc(NCC[NH+](C)C)c1-c1nn[n-]n1 ZINC000826313496 587352466 /nfs/dbraw/zinc/35/24/66/587352466.db2.gz JBULSHCMLLAYDJ-UHFFFAOYSA-N 0 3 247.306 0.544 20 0 BCADHN CCN(OC)C(=O)CNc1cc(C)nc(N)n1 ZINC000826756088 587361193 /nfs/dbraw/zinc/36/11/93/587361193.db2.gz IWVAKAMRAXICQM-UHFFFAOYSA-N 0 3 239.279 0.189 20 0 BCADHN CC[C@](C)(O)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000826762146 587361400 /nfs/dbraw/zinc/36/14/00/587361400.db2.gz DNCRKXLMBBLAAP-PWSUYJOCSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)[C@H]1CN(C(=O)CC2(C)COC2)CCN1 ZINC000826765032 587361680 /nfs/dbraw/zinc/36/16/80/587361680.db2.gz YOBIKMINZPYSRC-LLVKDONJSA-N 0 3 240.347 0.869 20 0 BCADHN CCN1CCCN(C(=O)[C@H]2CC(C)=NO2)CC1 ZINC000826901972 587364864 /nfs/dbraw/zinc/36/48/64/587364864.db2.gz GDJWIDMKQGHEPP-LLVKDONJSA-N 0 3 239.319 0.705 20 0 BCADHN C[C@@H](Cn1cccn1)NC(=O)[C@]1(F)CCNC1 ZINC000826935454 587366127 /nfs/dbraw/zinc/36/61/27/587366127.db2.gz ZZUGRXDDCNHFHW-ONGXEEELSA-N 0 3 240.282 0.089 20 0 BCADHN CC[N@@H+]1CC[C@@H](NCCN(C)C(=O)[O-])[C@H](C)C1 ZINC000827215784 587373098 /nfs/dbraw/zinc/37/30/98/587373098.db2.gz UTZJMYLWHPQQEK-GHMZBOCLSA-N 0 3 243.351 0.916 20 0 BCADHN CC[N@H+]1CC[C@@H](NCCN(C)C(=O)[O-])[C@H](C)C1 ZINC000827215784 587373099 /nfs/dbraw/zinc/37/30/99/587373099.db2.gz UTZJMYLWHPQQEK-GHMZBOCLSA-N 0 3 243.351 0.916 20 0 BCADHN COCCN(CC[S@@](C)=O)CC(C)C ZINC000827415813 587380596 /nfs/dbraw/zinc/38/05/96/587380596.db2.gz NBKASDMFZUUJLX-CQSZACIVSA-N 0 3 221.366 0.969 20 0 BCADHN C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N)cc2[O-])C1 ZINC000827484649 587382985 /nfs/dbraw/zinc/38/29/85/587382985.db2.gz DESCGYDGKMHJFX-VIFPVBQESA-N 0 3 249.314 0.656 20 0 BCADHN C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N)cc2[O-])C1 ZINC000827484649 587382987 /nfs/dbraw/zinc/38/29/87/587382987.db2.gz DESCGYDGKMHJFX-VIFPVBQESA-N 0 3 249.314 0.656 20 0 BCADHN CCN(CC)CCOC(=O)[C@@H](NC=O)C(C)C ZINC000860382652 589097466 /nfs/dbraw/zinc/09/74/66/589097466.db2.gz LTCJUAIBRSIEPY-NSHDSACASA-N 0 3 244.335 0.642 20 0 BCADHN C[C@H](N)C(=O)N(C)Cc1cccc(C(N)=O)c1 ZINC000827513737 587385153 /nfs/dbraw/zinc/38/51/53/587385153.db2.gz PMGZVONPEVOWQK-QMMMGPOBSA-N 0 3 235.287 0.091 20 0 BCADHN O=C(NC[C@H]1CCCCO1)[C@]1(F)CCNC1 ZINC000827694710 587395489 /nfs/dbraw/zinc/39/54/89/587395489.db2.gz JZPBNWIHPBVZNM-KOLCDFICSA-N 0 3 230.283 0.373 20 0 BCADHN CCN(CC[S@](C)=O)C[C@@H]1CCOC1 ZINC000827792286 587402712 /nfs/dbraw/zinc/40/27/12/587402712.db2.gz COBCGEUKNUUWOT-HZMBPMFUSA-N 0 3 219.350 0.723 20 0 BCADHN CC[C@H](N)C(=O)NCc1nc(C2CC2)no1 ZINC000827837912 587405365 /nfs/dbraw/zinc/40/53/65/587405365.db2.gz ODADNINWLNDBDG-ZETCQYMHSA-N 0 3 224.264 0.301 20 0 BCADHN C[S@@](=O)CCN1CCC[C@@H](n2ccnc2)C1 ZINC000827877233 587406940 /nfs/dbraw/zinc/40/69/40/587406940.db2.gz QOXDOIXCWWRDAZ-BDJLRTHQSA-N 0 3 241.360 0.899 20 0 BCADHN CN(CC[S@@](C)=O)[C@@H]1CCN(C2CC2)C1 ZINC000827919788 587409767 /nfs/dbraw/zinc/40/97/67/587409767.db2.gz ORKGQTRCCVWMLA-IAQYHMDHSA-N 0 3 230.377 0.533 20 0 BCADHN C[S@@](=O)CCN1CC[C@@H](N2CCCCC2)C1 ZINC000827913967 587410044 /nfs/dbraw/zinc/41/00/44/587410044.db2.gz UJDRVCJVWOPZRZ-MLGOLLRUSA-N 0 3 244.404 0.925 20 0 BCADHN O=C(Nc1ccc[nH]c1=O)[C@]1(F)CCNC1 ZINC000827947491 587412551 /nfs/dbraw/zinc/41/25/51/587412551.db2.gz UIROADKWRGZKQJ-JTQLQIEISA-N 0 3 225.223 0.427 20 0 BCADHN COC[C@@H]1CCCN1CC[S@](C)=O ZINC000827976066 587414514 /nfs/dbraw/zinc/41/45/14/587414514.db2.gz OJUYHPFXRHXSNY-ZANVPECISA-N 0 3 205.323 0.476 20 0 BCADHN COC[C@@H]1CCCN1CC[S@@](C)=O ZINC000827976065 587414539 /nfs/dbraw/zinc/41/45/39/587414539.db2.gz OJUYHPFXRHXSNY-TVQRCGJNSA-N 0 3 205.323 0.476 20 0 BCADHN Cc1nccn1CCNC(=O)[C@]1(F)CCNC1 ZINC000827984067 587415150 /nfs/dbraw/zinc/41/51/50/587415150.db2.gz CQGUXVMAQTYMJN-NSHDSACASA-N 0 3 240.282 0.009 20 0 BCADHN C[S@](=O)CCN1CCC[C@H]2COCC[C@@H]21 ZINC000827989950 587415690 /nfs/dbraw/zinc/41/56/90/587415690.db2.gz DJIVQEYXFKQSCB-PGUXBMHVSA-N 0 3 231.361 0.866 20 0 BCADHN CNCC(=O)Nc1ccn(Cc2ccccn2)n1 ZINC000828045707 587417870 /nfs/dbraw/zinc/41/78/70/587417870.db2.gz XLCPWLKJRKBZBN-UHFFFAOYSA-N 0 3 245.286 0.484 20 0 BCADHN C[S@@](=O)CCN(CC(C)(C)O)C1CC1 ZINC000828323174 587435109 /nfs/dbraw/zinc/43/51/09/587435109.db2.gz XHPHTKMJYZTICT-CQSZACIVSA-N 0 3 219.350 0.600 20 0 BCADHN CC[C@]1(CO)CCCN(CC[S@](C)=O)C1 ZINC000828329870 587435684 /nfs/dbraw/zinc/43/56/84/587435684.db2.gz VNMSDBBYCFHAOL-NHYWBVRUSA-N 0 3 233.377 0.849 20 0 BCADHN CC[C@]1(CO)CCCN(CC[S@@](C)=O)C1 ZINC000828329871 587435712 /nfs/dbraw/zinc/43/57/12/587435712.db2.gz VNMSDBBYCFHAOL-XHDPSFHLSA-N 0 3 233.377 0.849 20 0 BCADHN CCCONC(=O)N[C@@H](C)CN(C)C ZINC000828335198 587436322 /nfs/dbraw/zinc/43/63/22/587436322.db2.gz ZQPFFKPBZNMJGY-QMMMGPOBSA-N 0 3 203.286 0.577 20 0 BCADHN COC(=O)C1(CNC2(C(N)=O)CCCC2)CC1 ZINC000828338817 587436705 /nfs/dbraw/zinc/43/67/05/587436705.db2.gz SLBYUQCJEMLANM-UHFFFAOYSA-N 0 3 240.303 0.327 20 0 BCADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CC[S@](C)=O ZINC000828382355 587439670 /nfs/dbraw/zinc/43/96/70/587439670.db2.gz RSDZHFHAXSSOOH-JIXVBMEVSA-N 0 3 219.350 0.599 20 0 BCADHN CC(C)CC(=O)CCN(C)CCOCCO ZINC000828469489 587444577 /nfs/dbraw/zinc/44/45/77/587444577.db2.gz MGGYXVVXRJVBRR-UHFFFAOYSA-N 0 3 231.336 0.932 20 0 BCADHN C[S@@](=O)CCN1CC[C@]2(C1)CCCOC2 ZINC000828478132 587444947 /nfs/dbraw/zinc/44/49/47/587444947.db2.gz UJCMDSPMVYIALI-XHDPSFHLSA-N 0 3 231.361 0.867 20 0 BCADHN C[C@@H]1[C@H](N2CCCC2)CCN1CC[S@](C)=O ZINC000828540700 587449422 /nfs/dbraw/zinc/44/94/22/587449422.db2.gz DGARHCKXVJOYDM-HSMVNMDESA-N 0 3 244.404 0.924 20 0 BCADHN CN(CC[S@@](C)=O)C1(CO)CCC1 ZINC000828571128 587451109 /nfs/dbraw/zinc/45/11/09/587451109.db2.gz LBVVDUJSWZJDQW-CYBMUJFWSA-N 0 3 205.323 0.212 20 0 BCADHN COC[C@@]1(C)CCN(CC[S@@](C)=O)C1 ZINC000828588248 587452132 /nfs/dbraw/zinc/45/21/32/587452132.db2.gz YFNHMOHHKKEJMB-IINYFYTJSA-N 0 3 219.350 0.723 20 0 BCADHN CO[C@@H]1CCN(CC[S@](C)=O)C[C@@H]1C ZINC000828592731 587452382 /nfs/dbraw/zinc/45/23/82/587452382.db2.gz JTZOCIDSHZSJPM-RBZYPMLTSA-N 0 3 219.350 0.722 20 0 BCADHN CC(C)CC(=O)CCN1CC[C@H](O)[C@@H](CO)C1 ZINC000828626939 587454679 /nfs/dbraw/zinc/45/46/79/587454679.db2.gz MBLRWBYPYJANHG-YPMHNXCESA-N 0 3 243.347 0.667 20 0 BCADHN COCCCCN(C)CC[S@](C)=O ZINC000828632424 587455116 /nfs/dbraw/zinc/45/51/16/587455116.db2.gz NBISOZLHMXMLSQ-ZDUSSCGKSA-N 0 3 207.339 0.723 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@H](C)NC1CC1 ZINC000828883414 587468656 /nfs/dbraw/zinc/46/86/56/587468656.db2.gz LCXRJPVUALKACD-VIFPVBQESA-N 0 3 242.319 0.586 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@H](C)c1ccnn1C ZINC000828914705 587471855 /nfs/dbraw/zinc/47/18/55/587471855.db2.gz LATIDYSMMXWQBM-SECBINFHSA-N 0 3 247.302 0.872 20 0 BCADHN COCC[C@H](C)N1CC(C)(C(N)=O)C1 ZINC000829054687 587480585 /nfs/dbraw/zinc/48/05/85/587480585.db2.gz UZBYVNHVDABDOU-QMMMGPOBSA-N 0 3 200.282 0.219 20 0 BCADHN CN(Cc1cc[nH]n1)C(=O)[C@@]1(F)CCNC1 ZINC000829447278 587497714 /nfs/dbraw/zinc/49/77/14/587497714.db2.gz HFESVDYNJBQKQE-SNVBAGLBSA-N 0 3 226.255 0.070 20 0 BCADHN CCc1cc(CNC(=O)CNC2CC2)[nH]n1 ZINC000829500279 587501035 /nfs/dbraw/zinc/50/10/35/587501035.db2.gz KBKQZYAGBWYNFM-UHFFFAOYSA-N 0 3 222.292 0.340 20 0 BCADHN CCc1cc(CNC(=O)CNC2CC2)n[nH]1 ZINC000829500279 587501036 /nfs/dbraw/zinc/50/10/36/587501036.db2.gz KBKQZYAGBWYNFM-UHFFFAOYSA-N 0 3 222.292 0.340 20 0 BCADHN CC1=NO[C@@H](C(=O)N(C)CCN(C)C)C1 ZINC000829518149 587501802 /nfs/dbraw/zinc/50/18/02/587501802.db2.gz WJTHYJZFGSFBMM-SECBINFHSA-N 0 3 213.281 0.171 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N[C@]12C[C@H]1COC2 ZINC000829571258 587504594 /nfs/dbraw/zinc/50/45/94/587504594.db2.gz WMDLATHCXTXFRI-LOWVWBTDSA-N 0 3 238.331 0.764 20 0 BCADHN CN(CCO)CCNC(=O)C[C@H]1CC=CCC1 ZINC000829749595 587513749 /nfs/dbraw/zinc/51/37/49/587513749.db2.gz KNQWVAYKLHUHNZ-LBPRGKRZSA-N 0 3 240.347 0.773 20 0 BCADHN CCCCC1(C(=O)NCCN(C)CCO)CC1 ZINC000829756802 587514146 /nfs/dbraw/zinc/51/41/46/587514146.db2.gz WOPDFFWKHGRZQY-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@H](C)N ZINC000829799140 587517236 /nfs/dbraw/zinc/51/72/36/587517236.db2.gz KPKMBOXRZDEQTL-HQJQHLMTSA-N 0 3 234.303 0.626 20 0 BCADHN C[C@@H](C(=O)N1CC=C(N)N1)N1[C@H](C)CC[C@@H]1C ZINC000829831216 587521102 /nfs/dbraw/zinc/52/11/02/587521102.db2.gz JKHUMZCIHUJMGW-AEJSXWLSSA-N 0 3 238.335 0.395 20 0 BCADHN CN(C)Cc1ccc(C(=O)N2CC=C(N)N2)cc1 ZINC000829831125 587521335 /nfs/dbraw/zinc/52/13/35/587521335.db2.gz HVCXWRLGIYYEFT-UHFFFAOYSA-N 0 3 246.314 0.509 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCN1CCCC1 ZINC000830085868 587535096 /nfs/dbraw/zinc/53/50/96/587535096.db2.gz NZBAERWQOQOFAX-GHMZBOCLSA-N 0 3 214.309 0.086 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H]1CC2(CC2)C(=O)O1 ZINC000830103750 587535524 /nfs/dbraw/zinc/53/55/24/587535524.db2.gz YMVQCZAKZYNYEK-IVZWLZJFSA-N 0 3 241.287 0.086 20 0 BCADHN CC(C)C1(C(=O)N[C@H]2CCN(C)[C@@H]2C)COC1 ZINC000830110740 587536306 /nfs/dbraw/zinc/53/63/06/587536306.db2.gz IOTPMMARAXIGDC-MNOVXSKESA-N 0 3 240.347 0.868 20 0 BCADHN C[C@@H]1[C@H](NC(=O)CC2(C)COC2)CCN1C ZINC000830111113 587536440 /nfs/dbraw/zinc/53/64/40/587536440.db2.gz LLKBEQBSCYNJHV-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1[C@H](NC(=O)CC2(C)COC2)CCN1C ZINC000830111115 587536450 /nfs/dbraw/zinc/53/64/50/587536450.db2.gz LLKBEQBSCYNJHV-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCOC2)CCN1C ZINC000830110460 587536513 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/nfs/dbraw/zinc/56/47/49/587564749.db2.gz HNHRNCVTCLZSEH-VHSXEESVSA-N 0 3 230.308 0.099 20 0 BCADHN O=C(N1C[C@H]2CC[C@@H](C1)O2)[C@@]1(F)CCNC1 ZINC000830849213 587573586 /nfs/dbraw/zinc/57/35/86/587573586.db2.gz HTZBSTURCFKDKW-WCABBAIRSA-N 0 3 228.267 0.078 20 0 BCADHN CCC[C@@H](O)CN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830904949 587577226 /nfs/dbraw/zinc/57/72/26/587577226.db2.gz DQVQHMXPUGFSNK-MXWKQRLJSA-N 0 3 242.319 0.578 20 0 BCADHN O=C1N[C@@H]2CN(C[C@@H]3CCCO3)CC[C@H]2CO1 ZINC000830959657 587579218 /nfs/dbraw/zinc/57/92/18/587579218.db2.gz QNAMBPDMQBHKRY-GARJFASQSA-N 0 3 240.303 0.596 20 0 BCADHN COC(=O)C[C@@H](NC(=O)CNC1CC1)C1CC1 ZINC000831146045 587587699 /nfs/dbraw/zinc/58/76/99/587587699.db2.gz BMAMZDGYTPHFAA-SNVBAGLBSA-N 0 3 240.303 0.196 20 0 BCADHN CC[C@H](O)CCCNC(=O)[C@@]1(F)CCNC1 ZINC000831161032 587588349 /nfs/dbraw/zinc/58/83/49/587588349.db2.gz NXKWNTAVBOLLKK-GXSJLCMTSA-N 0 3 232.299 0.355 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CC)C[C@H](C)O ZINC000831269290 587594914 /nfs/dbraw/zinc/59/49/14/587594914.db2.gz OIHVYNRLJARRAA-WDEREUQCSA-N 0 3 230.352 0.994 20 0 BCADHN C[C@H](C[C@@H]1CCOC1)NC(=O)[C@]1(F)CCNC1 ZINC000831299208 587596316 /nfs/dbraw/zinc/59/63/16/587596316.db2.gz PFTUALGZMRPWDP-SCVCMEIPSA-N 0 3 244.310 0.619 20 0 BCADHN O=C(NCc1csc(=O)[nH]1)[C@@]1(F)CCNC1 ZINC000831363124 587601383 /nfs/dbraw/zinc/60/13/83/587601383.db2.gz RUFYSBRNYAKIEW-SECBINFHSA-N 0 3 245.279 0.167 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCc1ccc(F)cn1 ZINC000831368273 587601889 /nfs/dbraw/zinc/60/18/89/587601889.db2.gz DWYCSRTVGDBAEZ-QMMMGPOBSA-N 0 3 237.278 0.977 20 0 BCADHN O=C(N[C@@H]1CCCOCC1)[C@]1(F)CCNC1 ZINC000831517243 587615819 /nfs/dbraw/zinc/61/58/19/587615819.db2.gz AGKUQFKMABYAOY-KOLCDFICSA-N 0 3 230.283 0.373 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2ccnnc2)CCN1 ZINC000831594020 587622212 /nfs/dbraw/zinc/62/22/12/587622212.db2.gz QZIWADXTPHLQDB-LLVKDONJSA-N 0 3 234.303 0.547 20 0 BCADHN CCO[C@H](CNC(=O)C12CC(C1)C2)CN(C)C ZINC000831701461 587628107 /nfs/dbraw/zinc/62/81/07/587628107.db2.gz CWSKMQKWBBHQOH-QWKFWESOSA-N 0 3 240.347 0.869 20 0 BCADHN CCO[C@H](CNC(=O)[C@H](CC)CO)CN(C)C ZINC000831708939 587628389 /nfs/dbraw/zinc/62/83/89/587628389.db2.gz VOWLFMYXJACYQZ-GHMZBOCLSA-N 0 3 246.351 0.088 20 0 BCADHN CCO[C@H](CNC(=O)C[C@H](C)OC)CN(C)C ZINC000831751227 587629578 /nfs/dbraw/zinc/62/95/78/587629578.db2.gz GRWMCWTXMGSTMO-WDEREUQCSA-N 0 3 246.351 0.494 20 0 BCADHN CCO[C@@H](CNC(=O)CCOC)CN(C)C ZINC000831751556 587629840 /nfs/dbraw/zinc/62/98/40/587629840.db2.gz NBUPTNQXCJMWJL-JTQLQIEISA-N 0 3 232.324 0.106 20 0 BCADHN CCO[C@H](CNC(=O)[C@H]1C[C@H]1C)CN(C)C ZINC000831777120 587631249 /nfs/dbraw/zinc/63/12/49/587631249.db2.gz RBKNSVCUDGXTOA-MXWKQRLJSA-N 0 3 228.336 0.725 20 0 BCADHN CCO[C@H](CNC(=O)[C@@](C)(O)CC)CN(C)C ZINC000831781025 587631612 /nfs/dbraw/zinc/63/16/12/587631612.db2.gz FPJKBWIKZIARCZ-PWSUYJOCSA-N 0 3 246.351 0.230 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)N)[C@H](O)c1ccc(F)cc1 ZINC000831921040 587636726 /nfs/dbraw/zinc/63/67/26/587636726.db2.gz HENAMRMMLUJBSJ-RNSXUZJQSA-N 0 3 240.278 0.711 20 0 BCADHN CNCC(=O)N[C@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000831921121 587637048 /nfs/dbraw/zinc/63/70/48/587637048.db2.gz HONGKXLHFJKREB-PRHODGIISA-N 0 3 240.278 0.583 20 0 BCADHN C[C@@H](NC(=O)Cc1ncc[nH]1)C1=CCN(C)CC1 ZINC000831937450 587637780 /nfs/dbraw/zinc/63/77/80/587637780.db2.gz UZROIVLZWVHYPK-SNVBAGLBSA-N 0 3 248.330 0.719 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1ccc(N)cn1 ZINC000831971032 587640202 /nfs/dbraw/zinc/64/02/02/587640202.db2.gz PMDRXSMKTDKKTR-JTQLQIEISA-N 0 3 248.330 0.878 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CC[C@@H]1C ZINC000831975496 587641168 /nfs/dbraw/zinc/64/11/68/587641168.db2.gz NLXXWUNHWJADEH-HOSYDEDBSA-N 0 3 244.310 0.571 20 0 BCADHN CNCC(=O)N[C@H](C)[C@@H](O)c1cccc(F)c1 ZINC000832122730 587645640 /nfs/dbraw/zinc/64/56/40/587645640.db2.gz SIBTXFVIYAICPO-PRHODGIISA-N 0 3 240.278 0.583 20 0 BCADHN O=C(CNC1CC1)N1CCC[C@@H]1c1ncc[nH]1 ZINC000832139804 587646007 /nfs/dbraw/zinc/64/60/07/587646007.db2.gz FPSHKNKMVKROFK-SNVBAGLBSA-N 0 3 234.303 0.825 20 0 BCADHN O=C(Nc1nc(C2CC2)c[nH]1)[C@]1(F)CCNC1 ZINC000832189972 587649511 /nfs/dbraw/zinc/64/95/11/587649511.db2.gz CDMWIEGOTNQFDF-NSHDSACASA-N 0 3 238.266 0.927 20 0 BCADHN Nc1ccc(C(=O)NC2CC[NH2+]CC2)c([O-])c1 ZINC000832209370 587650715 /nfs/dbraw/zinc/65/07/15/587650715.db2.gz YCSPMYLQPBZNJR-UHFFFAOYSA-N 0 3 235.287 0.456 20 0 BCADHN Nc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)c([O-])c1 ZINC000832240975 587652311 /nfs/dbraw/zinc/65/23/11/587652311.db2.gz URZBGEQIJYTECR-MRVPVSSYSA-N 0 3 221.260 0.148 20 0 BCADHN COC[C@H]1CCCCN1CCN1CCOC1=O ZINC000832605574 587669182 /nfs/dbraw/zinc/66/91/82/587669182.db2.gz DNPDKDBERJUMQS-LLVKDONJSA-N 0 3 242.319 0.940 20 0 BCADHN CON(C)C(=O)CN1CC[C@@H](CCCO)C1 ZINC000832783954 587689450 /nfs/dbraw/zinc/68/94/50/587689450.db2.gz UYDPHXCFAURELC-SNVBAGLBSA-N 0 3 230.308 0.101 20 0 BCADHN COC[C@H](C)OC(=O)NCCOCCN(C)C ZINC000867090294 587705484 /nfs/dbraw/zinc/70/54/84/587705484.db2.gz UNRWLHDJBAVLEJ-JTQLQIEISA-N 0 3 248.323 0.326 20 0 BCADHN CN(C)C1(C(=O)N(C)CC(C)(C)CO)CCC1 ZINC000834075726 587744083 /nfs/dbraw/zinc/74/40/83/587744083.db2.gz XHMFSSHIZNGFTL-UHFFFAOYSA-N 0 3 242.363 0.948 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)C3=CCCCO3)C[C@@H]21 ZINC000834310663 587750952 /nfs/dbraw/zinc/75/09/52/587750952.db2.gz SKUFZLXLINHQJV-MNOVXSKESA-N 0 3 236.315 0.843 20 0 BCADHN CN(C)C[C@]1(O)CCCN(C(=O)C(C)(C)F)C1 ZINC000834565709 587759569 /nfs/dbraw/zinc/75/95/69/587759569.db2.gz XICVYRHXDMSIDV-GFCCVEGCSA-N 0 3 246.326 0.650 20 0 BCADHN C[NH+](C)CCCCC(=O)[N-]OCC(C)(C)O ZINC000834624994 587761639 /nfs/dbraw/zinc/76/16/39/587761639.db2.gz SGNCQEMJBYYTCT-UHFFFAOYSA-N 0 3 232.324 0.537 20 0 BCADHN CN(CC(=O)NC[C@H]1C[C@H](O)C1)CC(C)(C)C ZINC000834742938 587765335 /nfs/dbraw/zinc/76/53/35/587765335.db2.gz AKERPBSFLPVNIT-XYPYZODXSA-N 0 3 242.363 0.851 20 0 BCADHN CN(C)C1(C(=O)NC[C@H]2C[C@H](O)C2)CCC1 ZINC000834754106 587765813 /nfs/dbraw/zinc/76/58/13/587765813.db2.gz NVYSAPXQVXMTDT-MGCOHNPYSA-N 0 3 226.320 0.358 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)c1cocn1 ZINC000834846533 587768674 /nfs/dbraw/zinc/76/86/74/587768674.db2.gz ZEWGRNDDJBDLBJ-SSDOTTSWSA-N 0 3 231.202 0.402 20 0 BCADHN Nc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c([O-])c1 ZINC000834862351 587768689 /nfs/dbraw/zinc/76/86/89/587768689.db2.gz RWIBACJUVNJJGR-SCZZXKLOSA-N 0 3 249.314 0.832 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NOC1CCC1 ZINC000836346696 587831421 /nfs/dbraw/zinc/83/14/21/587831421.db2.gz VXCULBYVEQZSNH-SECBINFHSA-N 0 3 227.308 0.864 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)NOCC(F)F)C[C@@H]21 ZINC000836434083 587833385 /nfs/dbraw/zinc/83/33/85/587833385.db2.gz KACGGMFFSZVMHG-SFYZADRCSA-N 0 3 249.261 0.529 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@H]3CCC=CO3)C[C@@H]21 ZINC000836847938 587839419 /nfs/dbraw/zinc/83/94/19/587839419.db2.gz GRSNABAFLYTOJW-GRYCIOLGSA-N 0 3 236.315 0.842 20 0 BCADHN COCC(COC)NC(=O)C1(N(C)C)CCC1 ZINC000836864121 587840324 /nfs/dbraw/zinc/84/03/24/587840324.db2.gz VLKMEOQKLHLCJE-UHFFFAOYSA-N 0 3 244.335 0.248 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1ccc(C=O)[nH]1 ZINC000837239837 587860496 /nfs/dbraw/zinc/86/04/96/587860496.db2.gz ZVTMCLFMNDVVQP-UHFFFAOYSA-N 0 3 237.303 0.897 20 0 BCADHN COCC[C@H](C)OC(=O)C1CCCN(C)C1=O ZINC000837957114 587905424 /nfs/dbraw/zinc/90/54/24/587905424.db2.gz BTUMZNOQHHBUTN-VHSXEESVSA-N 0 3 243.303 0.823 20 0 BCADHN CCOCCOC(=O)C1CCCN(C)C1=O ZINC000837954687 587905744 /nfs/dbraw/zinc/90/57/44/587905744.db2.gz BIZNEJJLFQOGHT-VIFPVBQESA-N 0 3 229.276 0.435 20 0 BCADHN CC(=O)CCCOC(=O)C1CCCN(C)C1=O ZINC000837956550 587905785 /nfs/dbraw/zinc/90/57/85/587905785.db2.gz XBKQADCYTBXYBE-JTQLQIEISA-N 0 3 241.287 0.767 20 0 BCADHN C[C@@H]1CC[C@@H]1NCCS(=O)(=O)C1CC1 ZINC000840882195 587927980 /nfs/dbraw/zinc/92/79/80/587927980.db2.gz GRNIWPOCCINJRM-SCZZXKLOSA-N 0 3 217.334 0.952 20 0 BCADHN C[C@@H]1CSC[C@H]1NCCS(=O)(=O)C1CC1 ZINC000840966285 587932195 /nfs/dbraw/zinc/93/21/95/587932195.db2.gz NTZXIYVDKLHXTQ-PSASIEDQSA-N 0 3 249.401 0.905 20 0 BCADHN C[C@@H]1CN(C(=O)Nc2cnsn2)[C@H](C)CN1 ZINC000841239026 587949580 /nfs/dbraw/zinc/94/95/80/587949580.db2.gz SSCBXLKTBUCKMF-RNFRBKRXSA-N 0 3 241.320 0.752 20 0 BCADHN CC(C)OC(=O)CNC(=O)CN(C)C(C)C ZINC000104436100 587960973 /nfs/dbraw/zinc/96/09/73/587960973.db2.gz LUXFTVPFSOZVPY-UHFFFAOYSA-N 0 3 230.308 0.394 20 0 BCADHN Nc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)c([O-])c1 ZINC000841848048 587977315 /nfs/dbraw/zinc/97/73/15/587977315.db2.gz SDYQURUCZNPHHP-SECBINFHSA-N 0 3 249.314 0.704 20 0 BCADHN C[C@H](C[NH3+])CNC(=O)c1ccc(N)cc1[O-] ZINC000841848622 587977624 /nfs/dbraw/zinc/97/76/24/587977624.db2.gz SJHTXGDBUAVFMX-SSDOTTSWSA-N 0 3 223.276 0.299 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2ccc(N)cc2O)[C@H]1C ZINC000841850246 587978061 /nfs/dbraw/zinc/97/80/61/587978061.db2.gz GIYPXUWDCKABBQ-IUCAKERBSA-N 0 3 249.314 0.797 20 0 BCADHN CC[C@@H]([NH3+])CNC(=O)c1ccc(N)cc1[O-] ZINC000841852496 587978450 /nfs/dbraw/zinc/97/84/50/587978450.db2.gz LCZKOXJYHRKAJO-SSDOTTSWSA-N 0 3 223.276 0.442 20 0 BCADHN CCOCCONC(=O)N1C[C@H](C)NC[C@H]1C ZINC000841879674 587979953 /nfs/dbraw/zinc/97/99/53/587979953.db2.gz PQXBSTBIKLMUPS-VHSXEESVSA-N 0 3 245.323 0.346 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)NOCC1CC1 ZINC000841909396 587983809 /nfs/dbraw/zinc/98/38/09/587983809.db2.gz FQTIXWDFWVBHJG-DTWKUNHWSA-N 0 3 227.308 0.720 20 0 BCADHN CCCCCCNC(=O)C(=O)N(C)[C@H](C)CN ZINC000842212597 588007610 /nfs/dbraw/zinc/00/76/10/588007610.db2.gz CFFIGYNUTWLAIO-SNVBAGLBSA-N 0 3 243.351 0.489 20 0 BCADHN COC[C@H](C)OC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000867297452 588027824 /nfs/dbraw/zinc/02/78/24/588027824.db2.gz JVGAKXAFXPEDMZ-AXFHLTTASA-N 0 3 242.319 0.794 20 0 BCADHN COC[C@H](C)OC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000867297455 588028124 /nfs/dbraw/zinc/02/81/24/588028124.db2.gz JVGAKXAFXPEDMZ-HBNTYKKESA-N 0 3 242.319 0.794 20 0 BCADHN CN(CC[NH3+])C(=O)c1ccc(N)cc1[O-] ZINC000842510754 588031663 /nfs/dbraw/zinc/03/16/63/588031663.db2.gz UJXSXDIPMUQIDV-UHFFFAOYSA-N 0 3 209.249 0.005 20 0 BCADHN F[C@]1(c2nc(C[C@@H]3CCCO3)no2)CCNC1 ZINC000842571214 588043254 /nfs/dbraw/zinc/04/32/54/588043254.db2.gz LXQUOXXYSMFDFM-GZMMTYOYSA-N 0 3 241.266 0.949 20 0 BCADHN C[C@H]1C[C@H]1N1C[C@H](N[C@@H]2CO[C@H](C)C2)CC1=O ZINC000842690275 588052780 /nfs/dbraw/zinc/05/27/80/588052780.db2.gz RAFLKBYYPCSRHJ-MTVMDMGHSA-N 0 3 238.331 0.763 20 0 BCADHN C[C@H]1C[C@H](NC[C@H](O)C(F)(F)F)CO1 ZINC000842701010 588054148 /nfs/dbraw/zinc/05/41/48/588054148.db2.gz DXWWXNCTLFBLNE-ACZMJKKPSA-N 0 3 213.199 0.677 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CCO[C@@H]1C ZINC000842769353 588061218 /nfs/dbraw/zinc/06/12/18/588061218.db2.gz NNVVWDRMWIFCSE-BDAKNGLRSA-N 0 3 216.281 0.163 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CCO[C@H](C)C1 ZINC000842768657 588061459 /nfs/dbraw/zinc/06/14/59/588061459.db2.gz CVCLDLYWTLLOBX-ZJUUUORDSA-N 0 3 230.308 0.553 20 0 BCADHN CCN(OC)C(=O)CNCC1(C)CC1 ZINC000842769882 588061807 /nfs/dbraw/zinc/06/18/07/588061807.db2.gz UXSPZPQJAIWFIG-UHFFFAOYSA-N 0 3 200.282 0.786 20 0 BCADHN C[C@H](NC[C@H](O)C1CC1)[C@@H](O)C(F)(F)F ZINC000843058949 588077515 /nfs/dbraw/zinc/07/75/15/588077515.db2.gz CVVKBLJVCFYGNT-APQOSEDMSA-N 0 3 227.226 0.659 20 0 BCADHN C[C@H](NC[C@@H](O)C1CC1)[C@@H](O)C(F)(F)F ZINC000843059040 588077534 /nfs/dbraw/zinc/07/75/34/588077534.db2.gz CVVKBLJVCFYGNT-UIISKDMLSA-N 0 3 227.226 0.659 20 0 BCADHN C[C@H](NC[C@@H](O)C1CC1)[C@H](O)C(F)(F)F ZINC000843059037 588078110 /nfs/dbraw/zinc/07/81/10/588078110.db2.gz CVVKBLJVCFYGNT-ARDNSNSESA-N 0 3 227.226 0.659 20 0 BCADHN C[C@@H](O)[C@@H](CO)NC[C@H](O)c1ccc(F)cc1 ZINC000843063421 588078267 /nfs/dbraw/zinc/07/82/67/588078267.db2.gz ZRFTVSLICQWFEU-FXAINCCUSA-N 0 3 243.278 0.190 20 0 BCADHN Cc1cc(C)cc([C@H](O)CNC[C@H](O)CO)c1 ZINC000843063689 588078402 /nfs/dbraw/zinc/07/84/02/588078402.db2.gz VQFINEAVUIQTHU-QWHCGFSZSA-N 0 3 239.315 0.280 20 0 BCADHN CC[C@@H](O)CNC[C@H](O)c1cccnc1 ZINC000843063189 588078598 /nfs/dbraw/zinc/07/85/98/588078598.db2.gz XGBSDMPLIOYLHP-MNOVXSKESA-N 0 3 210.277 0.476 20 0 BCADHN C/C=C/C[C@@H](CO)NCCS(=O)(=O)CC ZINC000843076058 588079475 /nfs/dbraw/zinc/07/94/75/588079475.db2.gz DJBSWVJPTVDUEV-GFAPAMAISA-N 0 3 235.349 0.338 20 0 BCADHN Cc1ccc([C@H](O)CNC[C@](C)(O)CO)cc1 ZINC000843081375 588080201 /nfs/dbraw/zinc/08/02/01/588080201.db2.gz QTENLCJGBVYSQU-OLZOCXBDSA-N 0 3 239.315 0.361 20 0 BCADHN Cc1ccccc1[C@H](O)CNC[C@](C)(O)CO ZINC000843080064 588080328 /nfs/dbraw/zinc/08/03/28/588080328.db2.gz FNHDQSSHRJHSKW-OLZOCXBDSA-N 0 3 239.315 0.361 20 0 BCADHN C[C@@H](CCO)NC[C@H](O)c1ccc(F)cn1 ZINC000843084343 588080690 /nfs/dbraw/zinc/08/06/90/588080690.db2.gz WPUOCRSNOSXXPK-KWQFWETISA-N 0 3 228.267 0.615 20 0 BCADHN O[C@H](CNC[C@H](O)C1CC1)c1ccccn1 ZINC000843096026 588080887 /nfs/dbraw/zinc/08/08/87/588080887.db2.gz QLHNFUYEGRAAID-NWDGAFQWSA-N 0 3 222.288 0.476 20 0 BCADHN C[C@H](NCCC(N)=O)[C@@H](O)c1cccc(F)c1 ZINC000843103576 588081473 /nfs/dbraw/zinc/08/14/73/588081473.db2.gz MNTKETPLOZIQGN-QPUJVOFHSA-N 0 3 240.278 0.713 20 0 BCADHN COC[C@@H](O)CNC[C@H](O)c1ccc(C)cc1 ZINC000843108694 588082292 /nfs/dbraw/zinc/08/22/92/588082292.db2.gz PEJBCQAKCXFKCV-STQMWFEESA-N 0 3 239.315 0.625 20 0 BCADHN O[C@@H](CN[C@@H]1CC[C@H]1O)c1cccc(F)c1 ZINC000843114461 588082738 /nfs/dbraw/zinc/08/27/38/588082738.db2.gz GQSIYKUIPGSJEZ-UTUOFQBUSA-N 0 3 225.263 0.972 20 0 BCADHN C[C@H](O)CN(Cc1ccc(N)nc1)[C@@H](C)CO ZINC000843119382 588083005 /nfs/dbraw/zinc/08/30/05/588083005.db2.gz LBNZQPDBCVCJEL-UWVGGRQHSA-N 0 3 239.319 0.227 20 0 BCADHN CC(C)(CO)[C@@H](NCCS(C)(=O)=O)C1CC1 ZINC000843119784 588083846 /nfs/dbraw/zinc/08/38/46/588083846.db2.gz WSJDYVBDZSBQGX-JTQLQIEISA-N 0 3 249.376 0.418 20 0 BCADHN Cn1cc(Cc2noc(C(C)(C)CN)n2)cn1 ZINC000843181765 588089972 /nfs/dbraw/zinc/08/99/72/588089972.db2.gz PTJRXCHQWUGVDT-UHFFFAOYSA-N 0 3 235.291 0.630 20 0 BCADHN Cc1cncnc1-c1noc(C2(CN)CC2)n1 ZINC000843189832 588091849 /nfs/dbraw/zinc/09/18/49/588091849.db2.gz UQXOZDJPEDUKOZ-UHFFFAOYSA-N 0 3 231.259 0.825 20 0 BCADHN Cc1cnc(-c2noc([C@@]3(F)CCNC3)n2)nc1 ZINC000843190769 588092144 /nfs/dbraw/zinc/09/21/44/588092144.db2.gz QPWKKELYMHNYNZ-LLVKDONJSA-N 0 3 249.249 0.993 20 0 BCADHN CCNCC(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000843373606 588104873 /nfs/dbraw/zinc/10/48/73/588104873.db2.gz OPHRXTRGIRKXBL-LLVKDONJSA-N 0 3 249.314 0.890 20 0 BCADHN CCNCC(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000843373608 588104935 /nfs/dbraw/zinc/10/49/35/588104935.db2.gz OPHRXTRGIRKXBL-NSHDSACASA-N 0 3 249.314 0.890 20 0 BCADHN FCCN1CCNC[C@@H]1c1cccnc1 ZINC000843378496 588105776 /nfs/dbraw/zinc/10/57/76/588105776.db2.gz BHTUZFIRVFXISN-LLVKDONJSA-N 0 3 209.268 0.997 20 0 BCADHN CC(=O)NCCN(C)C[C@@H]1CCC=CO1 ZINC000843428222 588106120 /nfs/dbraw/zinc/10/61/20/588106120.db2.gz VHDKJDUULIJCDH-NSHDSACASA-N 0 3 212.293 0.747 20 0 BCADHN CC[C@@](C)(NC(=O)[C@@]1(F)CCNC1)C(=O)OC ZINC000843415665 588107277 /nfs/dbraw/zinc/10/72/77/588107277.db2.gz LWRLIQLCAJUVDQ-GHMZBOCLSA-N 0 3 246.282 0.146 20 0 BCADHN CCNCC(=O)NCC[C@H](O)c1ccccc1 ZINC000843443843 588111036 /nfs/dbraw/zinc/11/10/36/588111036.db2.gz XVLFOYFRMPIZFH-LBPRGKRZSA-N 0 3 236.315 0.836 20 0 BCADHN CCNCC(=O)NCC1(CCO)CCCC1 ZINC000843448071 588111279 /nfs/dbraw/zinc/11/12/79/588111279.db2.gz KAVVOKRAFBCNFU-UHFFFAOYSA-N 0 3 228.336 0.655 20 0 BCADHN [NH3+][C@H]1C[C@@H](C(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000843449924 588111496 /nfs/dbraw/zinc/11/14/96/588111496.db2.gz YOTPYAIKTRACEQ-YIZRAAEISA-N 0 3 214.265 0.298 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc[n+]([O-])cc1 ZINC000843472206 588113687 /nfs/dbraw/zinc/11/36/87/588113687.db2.gz NBKXGUMKPOKFGK-VHSXEESVSA-N 0 3 235.287 0.142 20 0 BCADHN C[C@H]1NCCN(C(=O)[C@@H](O)c2ccccc2)[C@@H]1C ZINC000843473092 588114152 /nfs/dbraw/zinc/11/41/52/588114152.db2.gz BAHVSZWYIDAMFS-WZRBSPASSA-N 0 3 248.326 0.929 20 0 BCADHN CS/C=C\C(=O)N[C@H]1CNCCC1(F)F ZINC000843482987 588114464 /nfs/dbraw/zinc/11/44/64/588114464.db2.gz FKNVWGWVEWYDKN-KVFVURRZSA-N 0 3 236.287 0.977 20 0 BCADHN CCNCC(=O)Nc1cccnc1NC(C)=O ZINC000843490714 588114915 /nfs/dbraw/zinc/11/49/15/588114915.db2.gz WRILJSDAZUREHG-UHFFFAOYSA-N 0 3 236.275 0.588 20 0 BCADHN CC[NH2+]CC(=O)NCc1nc2cccnc2[n-]1 ZINC000843492059 588115238 /nfs/dbraw/zinc/11/52/38/588115238.db2.gz LOXXZIFRWLWQTN-UHFFFAOYSA-N 0 3 233.275 0.184 20 0 BCADHN CCNCC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000843495453 588115461 /nfs/dbraw/zinc/11/54/61/588115461.db2.gz RSPIVDWCVHBNFF-GHMZBOCLSA-N 0 3 242.363 0.851 20 0 BCADHN CCc1cc(NC(=O)[C@@]2(F)CCNC2)nn1C ZINC000843501026 588116576 /nfs/dbraw/zinc/11/65/76/588116576.db2.gz AJJSZMGCRYETDF-LLVKDONJSA-N 0 3 240.282 0.623 20 0 BCADHN CCNCC(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000843505819 588117330 /nfs/dbraw/zinc/11/73/30/588117330.db2.gz VTCFTAYOHHVRPU-VIFPVBQESA-N 0 3 241.335 0.112 20 0 BCADHN COCCN(C)CCCNC(=O)C1(F)CC1 ZINC000843766784 588138639 /nfs/dbraw/zinc/13/86/39/588138639.db2.gz SBMXGUFNXMHSLH-UHFFFAOYSA-N 0 3 232.299 0.573 20 0 BCADHN C[C@H](CNC(=O)c1cn2c(n1)CCC2)N(C)C ZINC000843766339 588138911 /nfs/dbraw/zinc/13/89/11/588138911.db2.gz ZNCLMIBRAUEIAU-SECBINFHSA-N 0 3 236.319 0.509 20 0 BCADHN CN1CCC(O)(CNC(=O)C2(F)CC2)CC1 ZINC000843812861 588142703 /nfs/dbraw/zinc/14/27/03/588142703.db2.gz RWEISRXACMCIQD-UHFFFAOYSA-N 0 3 230.283 0.061 20 0 BCADHN C[C@@H]1[C@H](C(=O)[N-]OCC2CC2)CC[N@@H+]1C ZINC000843894164 588148210 /nfs/dbraw/zinc/14/82/10/588148210.db2.gz TZMXYTZWUXTASE-PSASIEDQSA-N 0 3 212.293 0.784 20 0 BCADHN C[C@@H]1[C@H](C(=O)[N-]OCC2CC2)CC[N@H+]1C ZINC000843894164 588148211 /nfs/dbraw/zinc/14/82/11/588148211.db2.gz TZMXYTZWUXTASE-PSASIEDQSA-N 0 3 212.293 0.784 20 0 BCADHN COC[C@@H]1CCN1C(=O)C1(N(C)C)CCC1 ZINC000843894275 588148245 /nfs/dbraw/zinc/14/82/45/588148245.db2.gz GEBGAENAIGRSRG-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN CNCC(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000844168153 588171033 /nfs/dbraw/zinc/17/10/33/588171033.db2.gz NJAQQSKBOUOQRN-UHFFFAOYSA-N 0 3 245.286 0.103 20 0 BCADHN CC1(C)CNCCN1C(=O)/C=C\c1cnccn1 ZINC000844166213 588171401 /nfs/dbraw/zinc/17/14/01/588171401.db2.gz XIPNAKNBZGUWFX-ARJAWSKDSA-N 0 3 246.314 0.700 20 0 BCADHN NC1(C(=O)NCCNc2ccccc2)CC1 ZINC000844168859 588171710 /nfs/dbraw/zinc/17/17/10/588171710.db2.gz BLNCAFPFCPESKX-UHFFFAOYSA-N 0 3 219.288 0.706 20 0 BCADHN CCNCC(=O)NCc1cccnc1N(C)C ZINC000844171521 588172257 /nfs/dbraw/zinc/17/22/57/588172257.db2.gz JVBASNRFTXIGPN-UHFFFAOYSA-N 0 3 236.319 0.373 20 0 BCADHN CN(C(=O)[C@H]1CNCCC1(F)F)c1cn[nH]c1 ZINC000844190461 588172809 /nfs/dbraw/zinc/17/28/09/588172809.db2.gz HEMREKNWLDLTAV-MRVPVSSYSA-N 0 3 244.245 0.617 20 0 BCADHN C[C@@H](C(=O)N1CCNC[C@@H]1C(F)F)N(C)C ZINC000844197848 588173443 /nfs/dbraw/zinc/17/34/43/588173443.db2.gz YROUEFACRYYICU-JGVFFNPUSA-N 0 3 235.278 0.002 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ncccn2)[C@@H]1C ZINC000844197384 588173528 /nfs/dbraw/zinc/17/35/28/588173528.db2.gz ZOXBWMACPMARSC-RKDXNWHRSA-N 0 3 220.276 0.299 20 0 BCADHN CCN(CCCO)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844299333 588182203 /nfs/dbraw/zinc/18/22/03/588182203.db2.gz 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PGRNONARNJLINO-GXSJLCMTSA-N 0 3 242.319 0.936 20 0 BCADHN CCN(C[C@@H]1CN(C2CC2)C(=O)O1)[C@@H](C)CO ZINC000844331514 588185945 /nfs/dbraw/zinc/18/59/45/588185945.db2.gz KJVVCQIRJBMTQT-GXSJLCMTSA-N 0 3 242.319 0.672 20 0 BCADHN CN(C)CCN1CCN(C/C=C/Cl)CC1=O ZINC000844376219 588188350 /nfs/dbraw/zinc/18/83/50/588188350.db2.gz PZLKWBUNGGWPKK-ONEGZZNKSA-N 0 3 245.754 0.445 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1CC[C@@H]1CCOC1=O ZINC000844401982 588190250 /nfs/dbraw/zinc/19/02/50/588190250.db2.gz NUOADTGAZSYXDZ-GMTAPVOTSA-N 0 3 243.303 0.021 20 0 BCADHN C[C@H](CO)C1CCN(CC[S@](C)=O)CC1 ZINC000844415188 588191289 /nfs/dbraw/zinc/19/12/89/588191289.db2.gz PELUTYQJEHRXJN-BMIGLBTASA-N 0 3 233.377 0.705 20 0 BCADHN C[C@H](CCO)N(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844452157 588195312 /nfs/dbraw/zinc/19/53/12/588195312.db2.gz UMQHTGWMLYGQIE-KOLCDFICSA-N 0 3 242.319 0.672 20 0 BCADHN CN(CCN1CCCCC1)[C@@H]1CCOC1=O ZINC000844464511 588197216 /nfs/dbraw/zinc/19/72/16/588197216.db2.gz PYNGSRRVPLDXNK-LLVKDONJSA-N 0 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O[C@@]1(CCNCc2cnccn2)CCCOC1 ZINC000846106676 588257011 /nfs/dbraw/zinc/25/70/11/588257011.db2.gz DJEQBEYKPVSQSE-GFCCVEGCSA-N 0 3 237.303 0.498 20 0 BCADHN CCN1C[C@H](CN[C@@H](C)c2ncc[nH]2)CC1=O ZINC000846209954 588260027 /nfs/dbraw/zinc/26/00/27/588260027.db2.gz UJTWHEYWZKRBFN-UWVGGRQHSA-N 0 3 236.319 0.929 20 0 BCADHN CCN1C[C@H](CN[C@H](C)c2ncc[nH]2)CC1=O ZINC000846209956 588260119 /nfs/dbraw/zinc/26/01/19/588260119.db2.gz UJTWHEYWZKRBFN-ZJUUUORDSA-N 0 3 236.319 0.929 20 0 BCADHN COC/C(C)=C/C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000846212181 588260273 /nfs/dbraw/zinc/26/02/73/588260273.db2.gz BDSJIWMJSSJNAN-QEFZOKHDSA-N 0 3 238.331 0.742 20 0 BCADHN COC/C(C)=C\C(=O)NCC1(N(C)C)CC1 ZINC000846264276 588263310 /nfs/dbraw/zinc/26/33/10/588263310.db2.gz WMHPAHMBVTXVHB-YFHOEESVSA-N 0 3 226.320 0.790 20 0 BCADHN CC[C@H](CO)C(=O)N(C)CCN1CCCCC1 ZINC000846614384 588279503 /nfs/dbraw/zinc/27/95/03/588279503.db2.gz NCLWZGZEXYBEPT-GFCCVEGCSA-N 0 3 242.363 0.949 20 0 BCADHN CCCN(C)CC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000846647528 588280532 /nfs/dbraw/zinc/28/05/32/588280532.db2.gz MPLOGQWUGHUTQA-UHFFFAOYSA-N 0 3 243.351 0.470 20 0 BCADHN COC(C)(C)CC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000846650624 588280700 /nfs/dbraw/zinc/28/07/00/588280700.db2.gz TYSMKPBHGJMLPM-UHFFFAOYSA-N 0 3 244.335 0.944 20 0 BCADHN CN1CCC(ONC(=O)[C@H]2CC23CC3)CC1 ZINC000846650980 588280858 /nfs/dbraw/zinc/28/08/58/588280858.db2.gz HMFFDESIKRTCKY-SNVBAGLBSA-N 0 3 224.304 0.929 20 0 BCADHN CCNCC(=O)NC[C@](C)(O)c1ccsc1 ZINC000846684500 588282503 /nfs/dbraw/zinc/28/25/03/588282503.db2.gz RNWFMXDBQTYVPL-NSHDSACASA-N 0 3 242.344 0.681 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000846683549 588282666 /nfs/dbraw/zinc/28/26/66/588282666.db2.gz JWFVJNKLFWOSOS-GXSJLCMTSA-N 0 3 242.344 0.809 20 0 BCADHN O=C(N1CCCC(F)(F)C1)[C@@]1(F)CCNC1 ZINC000846688548 588282937 /nfs/dbraw/zinc/28/29/37/588282937.db2.gz NRYJFIVXYYJVFU-SECBINFHSA-N 0 3 236.237 0.946 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@]2(F)CCNC2)[C@@H](C)CO1 ZINC000846690018 588283119 /nfs/dbraw/zinc/28/31/19/588283119.db2.gz DXLUBKDRYYPVFH-UMNHJUIQSA-N 0 3 244.310 0.714 20 0 BCADHN CCNCC(=O)N[C@@H]1CNc2ccccc2C1 ZINC000846692196 588283136 /nfs/dbraw/zinc/28/31/36/588283136.db2.gz WIBIHXUFMFRRIS-NSHDSACASA-N 0 3 233.315 0.749 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)[C@H](C)CO1 ZINC000846690878 588283158 /nfs/dbraw/zinc/28/31/58/588283158.db2.gz KTWSWKNHVOWTBP-KYXWUPHJSA-N 0 3 212.293 0.360 20 0 BCADHN CCN(C(=O)[C@@]1(F)CCNC1)[C@H]1CCCOC1 ZINC000846697325 588283376 /nfs/dbraw/zinc/28/33/76/588283376.db2.gz NUCKXAXQIUCHLF-CMPLNLGQSA-N 0 3 244.310 0.716 20 0 BCADHN O=C(N1CC[C@]2(CC2(F)F)C1)[C@]1(F)CCNC1 ZINC000846701077 588283378 /nfs/dbraw/zinc/28/33/78/588283378.db2.gz PUUGLIUYOHEQBV-UWVGGRQHSA-N 0 3 248.248 0.946 20 0 BCADHN CCN(C(=O)[C@@H]1C[C@@H]1N)[C@H]1CCCOC1 ZINC000846696404 588283420 /nfs/dbraw/zinc/28/34/20/588283420.db2.gz GCHOTRMCKOSFCH-AEJSXWLSSA-N 0 3 212.293 0.361 20 0 BCADHN C[C@H](COCC1CC1)NC(=O)[C@@H]1C[C@@H]1N ZINC000846697224 588283518 /nfs/dbraw/zinc/28/35/18/588283518.db2.gz ODRSIUJSCGSNHU-QNSHHTMESA-N 0 3 212.293 0.265 20 0 BCADHN CN[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O ZINC000846703380 588283788 /nfs/dbraw/zinc/28/37/88/588283788.db2.gz NGDOZVGLHILECF-JTQLQIEISA-N 0 3 218.256 0.846 20 0 BCADHN CCN1C[C@@H](CN(C)C[C@H]2CCOC2)OC1=O ZINC000846809783 588290507 /nfs/dbraw/zinc/29/05/07/588290507.db2.gz AVEKKKVJQNGKFR-GHMZBOCLSA-N 0 3 242.319 0.795 20 0 BCADHN CCN1C[C@H](CN(C)C[C@@H]2CCOC2)OC1=O ZINC000846809789 588290596 /nfs/dbraw/zinc/29/05/96/588290596.db2.gz AVEKKKVJQNGKFR-QWRGUYRKSA-N 0 3 242.319 0.795 20 0 BCADHN CNC(=O)CCCN1CCC(OC(C)=O)CC1 ZINC000846833669 588291737 /nfs/dbraw/zinc/29/17/37/588291737.db2.gz DVBDZGGXUTUYLB-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN CCN1C[C@H](CN2CC[C@@](O)(CC)C2)OC1=O ZINC000846858956 588293906 /nfs/dbraw/zinc/29/39/06/588293906.db2.gz RGTMWTPVULCFSK-JQWIXIFHSA-N 0 3 242.319 0.674 20 0 BCADHN CN1CCN(CC[C@@H]2CCOC2=O)CC1(C)C ZINC000846893637 588295961 /nfs/dbraw/zinc/29/59/61/588295961.db2.gz XXTOSUNLPZQMCQ-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CCN1C[C@H](CN(C)[C@H]2CCCOC2)OC1=O ZINC000846902406 588296319 /nfs/dbraw/zinc/29/63/19/588296319.db2.gz SHBGWZUCKDODOC-QWRGUYRKSA-N 0 3 242.319 0.938 20 0 BCADHN CCN(C[C@H]1CN(CC)C(=O)O1)[C@@H]1CCOC1 ZINC000846914707 588296453 /nfs/dbraw/zinc/29/64/53/588296453.db2.gz MBKULKXOORZATR-MNOVXSKESA-N 0 3 242.319 0.938 20 0 BCADHN CCN(C[C@@H]1CN(CC)C(=O)O1)[C@@H](C)CO ZINC000846925033 588297236 /nfs/dbraw/zinc/29/72/36/588297236.db2.gz FJMZAYYBVFZYSI-VHSXEESVSA-N 0 3 230.308 0.530 20 0 BCADHN CON(C)C(=O)CCN1CCC(C(C)=O)CC1 ZINC000846940258 588297663 /nfs/dbraw/zinc/29/76/63/588297663.db2.gz KCUQVSCVVTWBGS-UHFFFAOYSA-N 0 3 242.319 0.697 20 0 BCADHN CCN1C[C@H](CN(C)CC(C)(C)CO)OC1=O ZINC000846943151 588297795 /nfs/dbraw/zinc/29/77/95/588297795.db2.gz MISMYFSORFNHKP-JTQLQIEISA-N 0 3 244.335 0.777 20 0 BCADHN CCO/C=C\C(=O)NC[C@H](C)N(C)C ZINC000847331904 588311018 /nfs/dbraw/zinc/31/10/18/588311018.db2.gz JHPBKPRBZOMWRH-NMTCXDENSA-N 0 3 200.282 0.603 20 0 BCADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H](C)N(C)C ZINC000847331629 588311087 /nfs/dbraw/zinc/31/10/87/588311087.db2.gz HCBCWQDOYKLXKV-ZCFIWIBFSA-N 0 3 226.280 0.104 20 0 BCADHN CCO/C=C/C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000848120949 588358975 /nfs/dbraw/zinc/35/89/75/588358975.db2.gz SSAQCPJNEGWRJR-HOGLGZINSA-N 0 3 224.304 0.699 20 0 BCADHN COCOCCCNC(=O)CN1CC[C@H](C)C1 ZINC000848166556 588363645 /nfs/dbraw/zinc/36/36/45/588363645.db2.gz SAVGWNDQOZMVIE-NSHDSACASA-N 0 3 244.335 0.455 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H](O)c1ccccc1F ZINC000848395983 588377209 /nfs/dbraw/zinc/37/72/09/588377209.db2.gz LHOYSAFZTJJBGC-KWQFWETISA-N 0 3 240.278 0.583 20 0 BCADHN CCNC(=O)c1ccccc1NC(=O)[C@H](C)NC ZINC000848396774 588377393 /nfs/dbraw/zinc/37/73/93/588377393.db2.gz VQKURYVYGXLUJL-VIFPVBQESA-N 0 3 249.314 0.983 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CCCc2nc(C)ncc21 ZINC000848401149 588378116 /nfs/dbraw/zinc/37/81/16/588378116.db2.gz VBOXSWANVJYQIP-UFBFGSQYSA-N 0 3 248.330 0.887 20 0 BCADHN CN[C@@H](C)C(=O)NCCn1ccnc1C(C)C ZINC000848412162 588380480 /nfs/dbraw/zinc/38/04/80/588380480.db2.gz ZBAGKTVEYQJRHZ-JTQLQIEISA-N 0 3 238.335 0.731 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC000848429639 588383566 /nfs/dbraw/zinc/38/35/66/588383566.db2.gz UHFBVEZKKPZAPM-IUCAKERBSA-N 0 3 222.292 0.681 20 0 BCADHN CC[C@@H](C)NC(=O)CN[C@@H](CC)CO ZINC000006411748 588384544 /nfs/dbraw/zinc/38/45/44/588384544.db2.gz WOBZHNWCMSZQQH-BDAKNGLRSA-N 0 3 202.298 0.262 20 0 BCADHN Cn1c(CNC[C@@H]2COCCO2)cnc1Cl ZINC000848531189 588392942 /nfs/dbraw/zinc/39/29/42/588392942.db2.gz OQXGCMKHXTUERM-SECBINFHSA-N 0 3 245.710 0.579 20 0 BCADHN CN(C)C(=O)CCNCc1cnc(Cl)n1C ZINC000848532930 588393594 /nfs/dbraw/zinc/39/35/94/588393594.db2.gz MVUICQKZOYJRMT-UHFFFAOYSA-N 0 3 244.726 0.641 20 0 BCADHN Cn1c(CNC[C@H](O)C2CC2)cnc1Cl ZINC000848535332 588393601 /nfs/dbraw/zinc/39/36/01/588393601.db2.gz CCRYWJDENRKGEB-VIFPVBQESA-N 0 3 229.711 0.934 20 0 BCADHN C[C@H](CCO)NCc1cnc(Cl)n1C ZINC000848539130 588394543 /nfs/dbraw/zinc/39/45/43/588394543.db2.gz QMQKYSKYPWQQHR-SSDOTTSWSA-N 0 3 217.700 0.934 20 0 BCADHN Cn1c(CN[C@H](CO)C2CC2)cnc1Cl ZINC000848536660 588394749 /nfs/dbraw/zinc/39/47/49/588394749.db2.gz SIYBLYFWVUSQSU-SECBINFHSA-N 0 3 229.711 0.934 20 0 BCADHN CO[C@@](C)(CO)CN[C@@H](C)c1cc(C)nn1C ZINC000848556415 588397002 /nfs/dbraw/zinc/39/70/02/588397002.db2.gz XIXVESIAOBBLPN-CMPLNLGQSA-N 0 3 241.335 0.777 20 0 BCADHN CO[C@](C)(CO)CN[C@@H](C)c1cc(C)nn1C ZINC000848556416 588397242 /nfs/dbraw/zinc/39/72/42/588397242.db2.gz XIXVESIAOBBLPN-JQWIXIFHSA-N 0 3 241.335 0.777 20 0 BCADHN NC[C@@H](NC(=O)NC(CF)CF)C(F)(F)F ZINC000848598009 588401156 /nfs/dbraw/zinc/40/11/56/588401156.db2.gz GLGKHVNWDBZZHE-RXMQYKEDSA-N 0 3 249.183 0.483 20 0 BCADHN CC(C)ONC(=O)N[C@H](CN)C(F)(F)F ZINC000848597832 588401320 /nfs/dbraw/zinc/40/13/20/588401320.db2.gz DMJSFUNUOHMMLE-RXMQYKEDSA-N 0 3 229.202 0.515 20 0 BCADHN CC[C@@H](O)CNC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848678303 588405058 /nfs/dbraw/zinc/40/50/58/588405058.db2.gz KYBVMBHOEQSPFO-NXEZZACHSA-N 0 3 228.292 0.330 20 0 BCADHN CN1CC[NH+]=C1NCc1nnc(C(F)(F)F)[n-]1 ZINC000849020093 588438678 /nfs/dbraw/zinc/43/86/78/588438678.db2.gz HYWSDKHAGKMKSX-UHFFFAOYSA-N 0 3 248.212 0.215 20 0 BCADHN CN1CC[NH+]=C1NCc1nc(C(F)(F)F)n[n-]1 ZINC000849020093 588438679 /nfs/dbraw/zinc/43/86/79/588438679.db2.gz HYWSDKHAGKMKSX-UHFFFAOYSA-N 0 3 248.212 0.215 20 0 BCADHN CN(C)CCn1cc(-c2ccnn2C)nn1 ZINC000849136160 588453817 /nfs/dbraw/zinc/45/38/17/588453817.db2.gz CIUYWIRMAASBDV-UHFFFAOYSA-N 0 3 220.280 0.240 20 0 BCADHN CC(C)OC(=O)c1cn(CCN(C)C)nn1 ZINC000849137131 588453965 /nfs/dbraw/zinc/45/39/65/588453965.db2.gz NPFIOYQLZHWDGQ-UHFFFAOYSA-N 0 3 226.280 0.405 20 0 BCADHN C[C@H](N)c1cn(-c2ccnc(CO)c2)nn1 ZINC000849148981 588455940 /nfs/dbraw/zinc/45/59/40/588455940.db2.gz ARAMUZMBUAPMPC-ZETCQYMHSA-N 0 3 219.248 0.174 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)NCC(F)F)C1 ZINC000849333371 588473285 /nfs/dbraw/zinc/47/32/85/588473285.db2.gz NQXDCQOSROFNKT-YUMQZZPRSA-N 0 3 233.262 0.597 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)N[C@@H]3CCOC3)[C@@H]2C1 ZINC000849334440 588473421 /nfs/dbraw/zinc/47/34/21/588473421.db2.gz UTVFHDYZSZVSEW-HBNTYKKESA-N 0 3 239.319 0.121 20 0 BCADHN CC(C)[C@@H](O)COC(=O)C1CCCN(C)C1=O ZINC000849791006 588499422 /nfs/dbraw/zinc/49/94/22/588499422.db2.gz CWMSHNGWTPYCOB-UWVGGRQHSA-N 0 3 243.303 0.415 20 0 BCADHN CC(C)=CCCN1C(C)C(=O)N(C)S1(=O)=O ZINC000849895117 588508453 /nfs/dbraw/zinc/50/84/53/588508453.db2.gz GVXJKSDEQUQWKX-SECBINFHSA-N 0 3 246.332 0.750 20 0 BCADHN CN1CC[C@H](NCc2cnn3c2CCC3)C1 ZINC000850118566 588520717 /nfs/dbraw/zinc/52/07/17/588520717.db2.gz IMDRXSQSRSFCDX-NSHDSACASA-N 0 3 220.320 0.623 20 0 BCADHN CC[S@](=O)CCNCc1cnn2c1CCC2 ZINC000850131779 588520909 /nfs/dbraw/zinc/52/09/09/588520909.db2.gz WMEIHYFVBYRKSF-INIZCTEOSA-N 0 3 241.360 0.688 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1cncn1C ZINC000850303045 588535566 /nfs/dbraw/zinc/53/55/66/588535566.db2.gz QLOPHPOSYGPHOF-JMJZKYOTSA-N 0 3 237.303 0.707 20 0 BCADHN CCC[C@H](O)[C@H](CO)NCc1cn[nH]c1 ZINC000850325048 588536964 /nfs/dbraw/zinc/53/69/64/588536964.db2.gz RSERICOGAVQVOE-UWVGGRQHSA-N 0 3 213.281 0.021 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CO[C@H](CC)C1 ZINC000850338034 588537286 /nfs/dbraw/zinc/53/72/86/588537286.db2.gz DCIBSMBXFWDKDK-NXEZZACHSA-N 0 3 230.308 0.553 20 0 BCADHN Cn1c(=O)oc2cc(CNC/C=C/CO)ccc21 ZINC000850357648 588539180 /nfs/dbraw/zinc/53/91/80/588539180.db2.gz QKYVEHUUMKFSNY-NSCUHMNNSA-N 0 3 248.282 0.770 20 0 BCADHN Cn1c(=O)oc2cc(CNC/C=C\CO)ccc21 ZINC000850357647 588539364 /nfs/dbraw/zinc/53/93/64/588539364.db2.gz QKYVEHUUMKFSNY-IHWYPQMZSA-N 0 3 248.282 0.770 20 0 BCADHN CC[C@@H](O)CNCc1cnc(Cl)n1C ZINC000850374119 588541743 /nfs/dbraw/zinc/54/17/43/588541743.db2.gz XSQWETSHUCAHSP-MRVPVSSYSA-N 0 3 217.700 0.934 20 0 BCADHN C[S@@](=O)CCN[C@@H]1CCCn2nccc21 ZINC000850435412 588546050 /nfs/dbraw/zinc/54/60/50/588546050.db2.gz NOYXHQIFJRIONB-RFAUZJTJSA-N 0 3 227.333 0.686 20 0 BCADHN Cn1cc([C@@H](O)CN[C@@H]2COC(C)(C)C2)cn1 ZINC000850437352 588546733 /nfs/dbraw/zinc/54/67/33/588546733.db2.gz LQZZWOBNRPFYLA-QWRGUYRKSA-N 0 3 239.319 0.611 20 0 BCADHN CCS(=O)(=O)C1(CN[C@H](C)CCO)CC1 ZINC000850558875 588560604 /nfs/dbraw/zinc/56/06/04/588560604.db2.gz VAHAZHUZGGWXLF-SECBINFHSA-N 0 3 235.349 0.314 20 0 BCADHN CC(C)NCC(=O)NCCOc1cccnc1 ZINC000851629978 588612133 /nfs/dbraw/zinc/61/21/33/588612133.db2.gz DQYDYMGPADAKIZ-UHFFFAOYSA-N 0 3 237.303 0.575 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000851639074 588612387 /nfs/dbraw/zinc/61/23/87/588612387.db2.gz ALOWLBZNYCZBHU-WDEREUQCSA-N 0 3 245.282 0.258 20 0 BCADHN CCNCC(=O)NCc1cccc(N)c1 ZINC000851640050 588612395 /nfs/dbraw/zinc/61/23/95/588612395.db2.gz PQEXMIYQUDGQNX-UHFFFAOYSA-N 0 3 207.277 0.495 20 0 BCADHN CCNCC(=O)NCCC1CC(OC)C1 ZINC000851640674 588612576 /nfs/dbraw/zinc/61/25/76/588612576.db2.gz BKQFRLTVHMXQDX-UHFFFAOYSA-N 0 3 214.309 0.527 20 0 BCADHN CCNCC(=O)N[C@](C)(CCF)C(=O)OC ZINC000851646091 588612825 /nfs/dbraw/zinc/61/28/25/588612825.db2.gz WNKLTNLPNFYHLD-SNVBAGLBSA-N 0 3 234.271 0.003 20 0 BCADHN CSCC1(CCNC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000851641982 588612860 /nfs/dbraw/zinc/61/28/60/588612860.db2.gz SWDMGEAKHBLJOL-BDAKNGLRSA-N 0 3 228.361 0.983 20 0 BCADHN C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2N)O1 ZINC000851644795 588612869 /nfs/dbraw/zinc/61/28/69/588612869.db2.gz XJVKFQJIOGGOHV-KYXWUPHJSA-N 0 3 212.293 0.407 20 0 BCADHN N[C@@H]1CN(C(=O)c2cccc(F)n2)CC[C@H]1F ZINC000851648762 588613005 /nfs/dbraw/zinc/61/30/05/588613005.db2.gz NXTFVNWCTUMXGP-HTQZYQBOSA-N 0 3 241.241 0.732 20 0 BCADHN N[C@@H]1CN(C(=O)/C=C/c2cccnc2)CC[C@H]1F ZINC000851648678 588613230 /nfs/dbraw/zinc/61/32/30/588613230.db2.gz NPKBOUVTSRVKEW-BLDJZWNYSA-N 0 3 249.289 0.993 20 0 BCADHN N[C@@H]1CN(C(=O)NOCC2CC2)CC[C@H]1F ZINC000851662230 588613713 /nfs/dbraw/zinc/61/37/13/588613713.db2.gz TXRBYEMRSXDHSJ-RKDXNWHRSA-N 0 3 231.271 0.409 20 0 BCADHN COCCN(CCOC)C[C@H]1COC(C)(C)O1 ZINC000851715373 588616126 /nfs/dbraw/zinc/61/61/26/588616126.db2.gz RSFJJSTUVSBWQS-NSHDSACASA-N 0 3 247.335 0.733 20 0 BCADHN CC(C)CNC(=O)CCCN1CCN(C)CC1 ZINC000851722567 588617724 /nfs/dbraw/zinc/61/77/24/588617724.db2.gz XLOFKWBSEUEUBV-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN CCN(C[C@](O)(C(N)=O)c1ccccc1)C1CC1 ZINC000851726104 588617854 /nfs/dbraw/zinc/61/78/54/588617854.db2.gz LLLIJOQKYXMATI-CQSZACIVSA-N 0 3 248.326 0.844 20 0 BCADHN CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CC1 ZINC000851727579 588618351 /nfs/dbraw/zinc/61/83/51/588618351.db2.gz RHLIAIPDVXDHQI-ZDUSSCGKSA-N 0 3 234.299 0.454 20 0 BCADHN COC(=O)[C@H](C)CN(C)C[C@H]1COC(C)(C)O1 ZINC000851728167 588618693 /nfs/dbraw/zinc/61/86/93/588618693.db2.gz HILQZLBCUUHASD-ZJUUUORDSA-N 0 3 245.319 0.879 20 0 BCADHN OC[C@H]1CCCCN1C[C@H](O)c1ccccn1 ZINC000851730087 588619120 /nfs/dbraw/zinc/61/91/20/588619120.db2.gz UMVHIWPWJLKQAA-YPMHNXCESA-N 0 3 236.315 0.962 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@H]2COC(C)(C)O2)C1 ZINC000851731099 588619596 /nfs/dbraw/zinc/61/95/96/588619596.db2.gz WRVGZZKZVZWQIF-ZJUUUORDSA-N 0 3 243.303 0.633 20 0 BCADHN CCN(CC[C@@H]1COC(C)(C)O1)CC(=O)NC ZINC000851733255 588620198 /nfs/dbraw/zinc/62/01/98/588620198.db2.gz PDULRJSPBGSOPH-SNVBAGLBSA-N 0 3 244.335 0.596 20 0 BCADHN CC1(C)OC[C@H](CN2CCCOCC2)O1 ZINC000851740300 588621280 /nfs/dbraw/zinc/62/12/80/588621280.db2.gz WOAOWDLZNQVUSN-JTQLQIEISA-N 0 3 215.293 0.860 20 0 BCADHN COC(=O)[C@H]1CCCN(C[C@@H]2CCC(=O)O2)C1 ZINC000851747318 588622311 /nfs/dbraw/zinc/62/23/11/588622311.db2.gz FOXVPUIBBOWVSF-UWVGGRQHSA-N 0 3 241.287 0.577 20 0 BCADHN COCCN(CCO)CC[C@@H]1COC(C)(C)O1 ZINC000851748269 588622354 /nfs/dbraw/zinc/62/23/54/588622354.db2.gz PJTCUWPMDFQPHN-LLVKDONJSA-N 0 3 247.335 0.469 20 0 BCADHN CCN(CCO)C[C@H]1COC(C)(C)O1 ZINC000851751433 588623049 /nfs/dbraw/zinc/62/30/49/588623049.db2.gz MXBAPRCCTCBNNU-VIFPVBQESA-N 0 3 203.282 0.452 20 0 BCADHN CO[C@@H]1CC[C@@H](N(C)[C@@H]2CCN(C)C2=O)C1 ZINC000851778393 588627032 /nfs/dbraw/zinc/62/70/32/588627032.db2.gz IWIXURQCAGDLLE-GMTAPVOTSA-N 0 3 226.320 0.716 20 0 BCADHN CCC1(O)CCN(C[C@@H]2CCC(=O)O2)CC1 ZINC000851785333 588628169 /nfs/dbraw/zinc/62/81/69/588628169.db2.gz PVJPJWFIYPDZQB-JTQLQIEISA-N 0 3 227.304 0.929 20 0 BCADHN C[C@@H](O)CN(C)C[C@@H](O)c1ccccn1 ZINC000851784485 588628343 /nfs/dbraw/zinc/62/83/43/588628343.db2.gz UOFZINZFITXNAU-MWLCHTKSSA-N 0 3 210.277 0.428 20 0 BCADHN CO[C@@H]1CCN(C[C@H](O)c2ccccn2)C1 ZINC000851800682 588630574 /nfs/dbraw/zinc/63/05/74/588630574.db2.gz OSSPDSVZDUAHLU-PWSUYJOCSA-N 0 3 222.288 0.836 20 0 BCADHN CN(CCOC(F)F)C[C@@H](O)C1CC1 ZINC000851803373 588631161 /nfs/dbraw/zinc/63/11/61/588631161.db2.gz RUOBKEZZHMEBPR-MRVPVSSYSA-N 0 3 209.236 0.928 20 0 BCADHN COC[C@](C)(CCO)NCCOC(F)F ZINC000851808949 588631918 /nfs/dbraw/zinc/63/19/18/588631918.db2.gz RRNYNSAJSKWRSQ-VIFPVBQESA-N 0 3 227.251 0.603 20 0 BCADHN C[C@@H]1C[C@H](N2CCN3C(=O)OC[C@H]3C2)CCO1 ZINC000851812375 588632828 /nfs/dbraw/zinc/63/28/28/588632828.db2.gz IWHIBSCKVLITFP-GMTAPVOTSA-N 0 3 240.303 0.690 20 0 BCADHN CN(C[C@@H]1COC(C)(C)O1)CC(C)(CO)CO ZINC000851819495 588633596 /nfs/dbraw/zinc/63/35/96/588633596.db2.gz WCOSTRQVZOYYHQ-SNVBAGLBSA-N 0 3 247.335 0.061 20 0 BCADHN COC(=O)C[C@H]1CCCN1C[C@@H]1CCC(=O)O1 ZINC000851859148 588635701 /nfs/dbraw/zinc/63/57/01/588635701.db2.gz KCHKTGLECMOFGJ-ZJUUUORDSA-N 0 3 241.287 0.720 20 0 BCADHN C[C@H]1COCCCN1C[C@@H]1CCC(=O)O1 ZINC000851860952 588635819 /nfs/dbraw/zinc/63/58/19/588635819.db2.gz LYWJYKZVLZJUSF-UWVGGRQHSA-N 0 3 213.277 0.803 20 0 BCADHN C[C@H](O)[C@@H]1CCCN(C[C@H]2CCC(=O)O2)C1 ZINC000851860256 588636042 /nfs/dbraw/zinc/63/60/42/588636042.db2.gz HQQNHAHYEBFZIH-HBNTYKKESA-N 0 3 227.304 0.785 20 0 BCADHN CCN1CCN(C[C@@H]2CCC(=O)O2)C[C@H]1C ZINC000851866827 588636925 /nfs/dbraw/zinc/63/69/25/588636925.db2.gz XBCYXKHJZMWIJX-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C[C@H](O)c1ccccn1 ZINC000851882509 588639293 /nfs/dbraw/zinc/63/92/93/588639293.db2.gz ZAJKFYYPUIVTIF-SCVCMEIPSA-N 0 3 222.288 0.570 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C[C@H]1COC(C)(C)O1 ZINC000851882137 588639340 /nfs/dbraw/zinc/63/93/40/588639340.db2.gz SWTUURXEJKIVRV-BBBLOLIVSA-N 0 3 215.293 0.593 20 0 BCADHN CN1CCN(C[C@H]2CCC(=O)O2)C(C)(C)C1 ZINC000851885088 588639956 /nfs/dbraw/zinc/63/99/56/588639956.db2.gz HJNISNULZIZNGZ-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@H]1CCOCCN1CCc1cn[nH]n1 ZINC000851908173 588642305 /nfs/dbraw/zinc/64/23/05/588642305.db2.gz ZJRFHXKKTVLNFE-VIFPVBQESA-N 0 3 210.281 0.458 20 0 BCADHN Cc1cc(CN[C@@H](CO)C2CC2)nc(C)n1 ZINC000851934122 588645341 /nfs/dbraw/zinc/64/53/41/588645341.db2.gz YYJOJSKEDKTKDY-LBPRGKRZSA-N 0 3 221.304 0.954 20 0 BCADHN Cc1cc(CN[C@H](CO)C2CC2)nc(C)n1 ZINC000851934121 588645491 /nfs/dbraw/zinc/64/54/91/588645491.db2.gz YYJOJSKEDKTKDY-GFCCVEGCSA-N 0 3 221.304 0.954 20 0 BCADHN C[C@@H]1CN(C[C@@H]2COC(C)(C)O2)CC[C@H]1O ZINC000851957053 588647722 /nfs/dbraw/zinc/64/77/22/588647722.db2.gz LBCWCUZVBVWSFP-GMTAPVOTSA-N 0 3 229.320 0.841 20 0 BCADHN CC[C@]1(O)CCN(C[C@@H]2CCC(=O)O2)C1 ZINC000851957365 588648051 /nfs/dbraw/zinc/64/80/51/588648051.db2.gz NMRWNPQFROCVNS-ONGXEEELSA-N 0 3 213.277 0.539 20 0 BCADHN OCC[C@@H]1CCCN1C[C@H](O)c1ccccn1 ZINC000851956480 588648062 /nfs/dbraw/zinc/64/80/62/588648062.db2.gz FTNORCPTCZUKGI-AAEUAGOBSA-N 0 3 236.315 0.962 20 0 BCADHN COCCCN(CCO)C[C@@H]1CCC(=O)O1 ZINC000851968200 588648556 /nfs/dbraw/zinc/64/85/56/588648556.db2.gz KXFWEPSFXJXXGH-JTQLQIEISA-N 0 3 231.292 0.023 20 0 BCADHN C[C@H]1CCN(CCOC(F)F)[C@H]1CO ZINC000851972438 588649385 /nfs/dbraw/zinc/64/93/85/588649385.db2.gz NQZQPHZBKJTLHJ-YUMQZZPRSA-N 0 3 209.236 0.928 20 0 BCADHN CO[C@H]1CC[C@H](N2CCc3n[nH]nc3C2)C1 ZINC000851973669 588650257 /nfs/dbraw/zinc/65/02/57/588650257.db2.gz HJQFJIHEVZSQTN-IUCAKERBSA-N 0 3 222.292 0.730 20 0 BCADHN CO[C@@H]1CC[C@H](N2C[C@H](C)O[C@H](CO)C2)C1 ZINC000851975986 588650362 /nfs/dbraw/zinc/65/03/62/588650362.db2.gz WERXNGWZCJXBPC-YFKTTZPYSA-N 0 3 229.320 0.636 20 0 BCADHN CN(CCCCO)C[C@@H](O)c1ccccn1 ZINC000851976799 588650375 /nfs/dbraw/zinc/65/03/75/588650375.db2.gz KFCZBRACAXMKBX-GFCCVEGCSA-N 0 3 224.304 0.819 20 0 BCADHN CC1(C)CN(C[C@H]2COC(C)(C)O2)C[C@H]1O ZINC000851996803 588653367 /nfs/dbraw/zinc/65/33/67/588653367.db2.gz CNUMLKVUFCOUAM-VHSXEESVSA-N 0 3 229.320 0.841 20 0 BCADHN C[C@@H]1C[C@@H](C)N1C[C@](O)(C(N)=O)c1ccccc1 ZINC000851997313 588653381 /nfs/dbraw/zinc/65/33/81/588653381.db2.gz JVTHLEAHMVNDGI-JTNHKYCSSA-N 0 3 248.326 0.842 20 0 BCADHN O=C1C[C@@]2(CCN(CCOC(F)F)C2)CN1 ZINC000851997558 588653498 /nfs/dbraw/zinc/65/34/98/588653498.db2.gz LANDBRSCMMILDI-JTQLQIEISA-N 0 3 234.246 0.438 20 0 BCADHN COCCN(C[C@@H]1CCC(=O)O1)[C@H]1CCOC1 ZINC000851995424 588653521 /nfs/dbraw/zinc/65/35/21/588653521.db2.gz ZBPNKAFAXJUVDP-QWRGUYRKSA-N 0 3 243.303 0.429 20 0 BCADHN CC1(C)CN(C[C@@H]2COC(C)(C)O2)C[C@@H]1O ZINC000851996804 588653566 /nfs/dbraw/zinc/65/35/66/588653566.db2.gz CNUMLKVUFCOUAM-ZJUUUORDSA-N 0 3 229.320 0.841 20 0 BCADHN C[C@]1(C(N)=O)CCN(C[C@H](O)c2ccccn2)C1 ZINC000852002932 588654250 /nfs/dbraw/zinc/65/42/50/588654250.db2.gz GDPRHVYCWFLBOV-AAEUAGOBSA-N 0 3 249.314 0.312 20 0 BCADHN CNC(=O)[C@]1(C)CCN(CCOC(F)F)C1 ZINC000852006877 588654629 /nfs/dbraw/zinc/65/46/29/588654629.db2.gz UMOBSPLGLPGTPD-SNVBAGLBSA-N 0 3 236.262 0.684 20 0 BCADHN CN(CCCO)C[C@@H]1COC(C)(C)O1 ZINC000852014013 588655281 /nfs/dbraw/zinc/65/52/81/588655281.db2.gz YIGMMNMPKLENDQ-SECBINFHSA-N 0 3 203.282 0.452 20 0 BCADHN CO[C@H]1C[C@@H](N(C)C[C@H]2CCC(=O)O2)C1 ZINC000852040125 588656905 /nfs/dbraw/zinc/65/69/05/588656905.db2.gz QYMRVGJMWLNKKX-BBBLOLIVSA-N 0 3 213.277 0.801 20 0 BCADHN O=C1CC[C@H](CN2CC[C@@H](n3cccn3)C2)O1 ZINC000852070254 588659116 /nfs/dbraw/zinc/65/91/16/588659116.db2.gz QXRWZUIIPOOUBW-GHMZBOCLSA-N 0 3 235.287 0.836 20 0 BCADHN Nc1cccc(CN2CCCN(C=O)CC2)c1 ZINC000852072887 588659157 /nfs/dbraw/zinc/65/91/57/588659157.db2.gz LSOOLGIUVXVPPE-UHFFFAOYSA-N 0 3 233.315 0.933 20 0 BCADHN CN1C[C@H]2CCN(Cc3cnon3)[C@@H]2C1 ZINC000852076663 588659674 /nfs/dbraw/zinc/65/96/74/588659674.db2.gz VIIVUFWOFKUJBT-PSASIEDQSA-N 0 3 208.265 0.206 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@H](C)N1C ZINC000852095121 588661708 /nfs/dbraw/zinc/66/17/08/588661708.db2.gz JPUAYSGNWFWXTR-AXFHLTTASA-N 0 3 226.320 0.716 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1C[C@@H]1CCC(=O)O1 ZINC000852123952 588665447 /nfs/dbraw/zinc/66/54/47/588665447.db2.gz XHKFKDYOTZHIMC-KXUCPTDWSA-N 0 3 213.277 0.537 20 0 BCADHN CCN1OC[C@@H](N[C@H]2CCC2(C)C)C1=O ZINC000852125539 588665643 /nfs/dbraw/zinc/66/56/43/588665643.db2.gz SKWAOFZFGFUZPE-BDAKNGLRSA-N 0 3 212.293 0.927 20 0 BCADHN CN1CC[C@@H]2CN(Cc3cnon3)C[C@@H]21 ZINC000852136115 588666004 /nfs/dbraw/zinc/66/60/04/588666004.db2.gz GSKFETBXKOTWMJ-SCZZXKLOSA-N 0 3 208.265 0.206 20 0 BCADHN CCN1CCCN(CC[S@@](C)=O)[C@H](C)C1 ZINC000852165852 588668749 /nfs/dbraw/zinc/66/87/49/588668749.db2.gz JEGOJKWDWRUKEX-IAQYHMDHSA-N 0 3 232.393 0.781 20 0 BCADHN CCN1CCCN(CC[S@](C)=O)[C@H](C)C1 ZINC000852165851 588668764 /nfs/dbraw/zinc/66/87/64/588668764.db2.gz JEGOJKWDWRUKEX-ABAIWWIYSA-N 0 3 232.393 0.781 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@H]1COC(C)(C)O1 ZINC000852184058 588670044 /nfs/dbraw/zinc/67/00/44/588670044.db2.gz FGCAOXSCXFSEPC-MXWKQRLJSA-N 0 3 229.320 0.983 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NCc1ncccn1 ZINC000852186716 588670532 /nfs/dbraw/zinc/67/05/32/588670532.db2.gz HNZPDTQVRFUQBL-SNVBAGLBSA-N 0 3 249.318 0.370 20 0 BCADHN COC[C@H](CN1C[C@H]2[C@@H](C1)C2(F)F)OC ZINC000852214615 588672860 /nfs/dbraw/zinc/67/28/60/588672860.db2.gz XXTHYOXFPLPECF-XHNCKOQMSA-N 0 3 221.247 0.845 20 0 BCADHN O=C1CCC2=C(CCN(C[C@@H](O)C3CC3)C2)N1 ZINC000852294678 588676926 /nfs/dbraw/zinc/67/69/26/588676926.db2.gz FWZYGXHHWKRUGO-GFCCVEGCSA-N 0 3 236.315 0.627 20 0 BCADHN COC[C@@H](NCC1OCCO1)C1CCOCC1 ZINC000852321767 588678570 /nfs/dbraw/zinc/67/85/70/588678570.db2.gz SAXKGTSGISUAPM-LLVKDONJSA-N 0 3 245.319 0.391 20 0 BCADHN C[C@@H](CNC(=O)NCc1ncccn1)N(C)C ZINC000852371625 588680221 /nfs/dbraw/zinc/68/02/21/588680221.db2.gz ISASXZYJLKXVFC-VIFPVBQESA-N 0 3 237.307 0.226 20 0 BCADHN CO[C@@]1(CO)CCCN(C[C@@H]2CCC(=O)O2)C1 ZINC000852408566 588680957 /nfs/dbraw/zinc/68/09/57/588680957.db2.gz CTCFKCHWVVNREA-JQWIXIFHSA-N 0 3 243.303 0.165 20 0 BCADHN CONC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000852411117 588681339 /nfs/dbraw/zinc/68/13/39/588681339.db2.gz DXDXWPBIOZELRS-QMMMGPOBSA-N 0 3 215.297 0.720 20 0 BCADHN CON(C)C(=O)CN1CCCC[C@@H]1[C@H](C)CO ZINC000852424495 588681566 /nfs/dbraw/zinc/68/15/66/588681566.db2.gz CYELMYRSZQGQPL-GHMZBOCLSA-N 0 3 244.335 0.489 20 0 BCADHN CC(C)[C@H](O)CN1CC[C@@H](N2CCOC2=O)C1 ZINC000852438618 588682276 /nfs/dbraw/zinc/68/22/76/588682276.db2.gz UROBYRYILXRZPI-GHMZBOCLSA-N 0 3 242.319 0.530 20 0 BCADHN C[C@H](CO)CN1CC[C@H](N2CCOC2=O)C1 ZINC000852436460 588682287 /nfs/dbraw/zinc/68/22/87/588682287.db2.gz ICZWLUKTHUKTGG-UWVGGRQHSA-N 0 3 228.292 0.141 20 0 BCADHN COCCN(CCF)C[C@H]1CCCN1C ZINC000852480234 588683470 /nfs/dbraw/zinc/68/34/70/588683470.db2.gz RQLIBQMDACUMMO-LLVKDONJSA-N 0 3 218.316 0.999 20 0 BCADHN C[S@](=O)CCN1CCC[C@@](O)(C2CC2)C1 ZINC000852500395 588685716 /nfs/dbraw/zinc/68/57/16/588685716.db2.gz AEVLXKDLIDMJHU-NHYWBVRUSA-N 0 3 231.361 0.602 20 0 BCADHN COC(CN1CCC[C@@](O)(C2CC2)C1)OC ZINC000852501412 588686389 /nfs/dbraw/zinc/68/63/89/588686389.db2.gz MCDQQSRUTDULPZ-LBPRGKRZSA-N 0 3 229.320 0.842 20 0 BCADHN C[C@]12COC[C@@H]1CN([C@H]1CCOC1=O)C2 ZINC000852534823 588687545 /nfs/dbraw/zinc/68/75/45/588687545.db2.gz QFQLIRJPRLCCHL-QXEWZRGKSA-N 0 3 211.261 0.270 20 0 BCADHN COC(CN1C[C@@H]2COC[C@]2(C)C1)OC ZINC000852533786 588688050 /nfs/dbraw/zinc/68/80/50/588688050.db2.gz CYQXEYPTFHRGEH-KOLCDFICSA-N 0 3 215.293 0.574 20 0 BCADHN CCOC(CN1CC[C@@]2(O)C[C@H]2C1)OCC ZINC000852539223 588689048 /nfs/dbraw/zinc/68/90/48/588689048.db2.gz QSAAJXTVPUTHQC-CMPLNLGQSA-N 0 3 229.320 0.842 20 0 BCADHN C[C@H](O)[C@H]1CCCN1CC[S@@](C)=O ZINC000852558729 588690329 /nfs/dbraw/zinc/69/03/29/588690329.db2.gz LUEGHDBEWVFREB-IGJMFERPSA-N 0 3 205.323 0.210 20 0 BCADHN COC(=O)N(C)CCN(C)CCC(=O)N(C)C ZINC000852568537 588691407 /nfs/dbraw/zinc/69/14/07/588691407.db2.gz IJHORLRIAXOAPT-UHFFFAOYSA-N 0 3 245.323 0.095 20 0 BCADHN O[C@@H]1C[C@@H](NCC2OCCO2)C12CCC2 ZINC000852583017 588691947 /nfs/dbraw/zinc/69/19/47/588691947.db2.gz POJRDOHSILFHRI-RKDXNWHRSA-N 0 3 213.277 0.252 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1C[C@@H](O)C12CCC2 ZINC000852584830 588692099 /nfs/dbraw/zinc/69/20/99/588692099.db2.gz RXZFSPQAXCEJSM-NXEZZACHSA-N 0 3 247.360 0.314 20 0 BCADHN COC(=O)/C(C)=C\CN[C@@H]1C[C@H](O)C12CCC2 ZINC000852585133 588692204 /nfs/dbraw/zinc/69/22/04/588692204.db2.gz YQMQRAAMHWMDGI-BMMYIHMSSA-N 0 3 239.315 0.999 20 0 BCADHN COC(=O)/C(C)=C/CN[C@@H]1C[C@H](O)C12CCC2 ZINC000852585132 588692264 /nfs/dbraw/zinc/69/22/64/588692264.db2.gz YQMQRAAMHWMDGI-BDMRALOESA-N 0 3 239.315 0.999 20 0 BCADHN CONC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000852601904 588692639 /nfs/dbraw/zinc/69/26/39/588692639.db2.gz BNJBBDWILGBSPS-SNVBAGLBSA-N 0 3 229.324 0.967 20 0 BCADHN C(C1OCCO1)N1CC[C@@H]2COC[C@H]2C1 ZINC000852666397 588694399 /nfs/dbraw/zinc/69/43/99/588694399.db2.gz RWYZNASEAWTGKR-NXEZZACHSA-N 0 3 213.277 0.328 20 0 BCADHN O=C1O[C@H](CN2CCC3(COC3)C2)CC12CC2 ZINC000852683344 588695259 /nfs/dbraw/zinc/69/52/59/588695259.db2.gz ILYTVJIEVGNJKS-JTQLQIEISA-N 0 3 237.299 0.804 20 0 BCADHN O=C1OCCN1CCN1CCC2(COC2)C1 ZINC000852683937 588695339 /nfs/dbraw/zinc/69/53/39/588695339.db2.gz WOPKLVMEOTYWOX-UHFFFAOYSA-N 0 3 226.276 0.161 20 0 BCADHN C[S@@](=O)CCN1CCC2(COC2)C1 ZINC000852683695 588695516 /nfs/dbraw/zinc/69/55/16/588695516.db2.gz PUIVMPODPKMVJQ-CYBMUJFWSA-N 0 3 203.307 0.087 20 0 BCADHN COC[C@H](C)N1CCC(N2CCOC2=O)CC1 ZINC000852723310 588697916 /nfs/dbraw/zinc/69/79/16/588697916.db2.gz QZEOOXGYQKWFEQ-JTQLQIEISA-N 0 3 242.319 0.938 20 0 BCADHN O=C1OCCN1C1CCN(CCCCO)CC1 ZINC000852723053 588698201 /nfs/dbraw/zinc/69/82/01/588698201.db2.gz MTBJKNJXLOAKFT-UHFFFAOYSA-N 0 3 242.319 0.676 20 0 BCADHN Cc1cc(CN2CCNC[C@H]2C(F)F)ncn1 ZINC000852748689 588699596 /nfs/dbraw/zinc/69/95/96/588699596.db2.gz BAXXEDOWLQKHOY-JTQLQIEISA-N 0 3 242.273 0.824 20 0 BCADHN COC(=O)NC1CCN(CC2(C)COC2)CC1 ZINC000852763082 588700826 /nfs/dbraw/zinc/70/08/26/588700826.db2.gz GZZFSHHMQFFKKH-UHFFFAOYSA-N 0 3 242.319 0.843 20 0 BCADHN COC(=O)NC1CCN(C[C@H](O)C2CC2)CC1 ZINC000852763348 588700850 /nfs/dbraw/zinc/70/08/50/588700850.db2.gz PWJFIQORCOQMGM-NSHDSACASA-N 0 3 242.319 0.578 20 0 BCADHN COC(=O)NC1CCN(CCC(C)(C)O)CC1 ZINC000852763155 588701037 /nfs/dbraw/zinc/70/10/37/588701037.db2.gz IZPYJLFITCCFIX-UHFFFAOYSA-N 0 3 244.335 0.968 20 0 BCADHN COC(=O)NC1CCN(C[C@H](O)C(C)C)CC1 ZINC000852762981 588701067 /nfs/dbraw/zinc/70/10/67/588701067.db2.gz CHOTUKHQYORKLM-NSHDSACASA-N 0 3 244.335 0.824 20 0 BCADHN COC(=O)NC1CCN(CCCCCO)CC1 ZINC000852769391 588701266 /nfs/dbraw/zinc/70/12/66/588701266.db2.gz UOBPTEZCDLAWGC-UHFFFAOYSA-N 0 3 244.335 0.969 20 0 BCADHN COC(=O)NC1CCN(C[C@H](C)CO)CC1 ZINC000852768186 588701302 /nfs/dbraw/zinc/70/13/02/588701302.db2.gz UWPGNRFZHPAOKG-VIFPVBQESA-N 0 3 230.308 0.435 20 0 BCADHN CCONC(=O)c1cn[n-]c1[C@@H]1CC[NH2+]C1 ZINC000852778982 588701955 /nfs/dbraw/zinc/70/19/55/588701955.db2.gz ZJLVFFWAPDJKFT-SSDOTTSWSA-N 0 3 224.264 0.168 20 0 BCADHN COc1ccccc1C(F)(F)C(=O)[N-]CC[NH3+] ZINC000852791130 588702037 /nfs/dbraw/zinc/70/20/37/588702037.db2.gz XXAXTMJARJQZJY-UHFFFAOYSA-N 0 3 244.241 0.862 20 0 BCADHN CCCOC(=O)CCNC(=O)CNC(C)C ZINC000852804145 588704553 /nfs/dbraw/zinc/70/45/53/588704553.db2.gz XMLKSCBGDNPNTC-UHFFFAOYSA-N 0 3 230.308 0.444 20 0 BCADHN CCC(CC)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852799866 588704063 /nfs/dbraw/zinc/70/40/63/588704063.db2.gz ITPARDKXKPENKY-MRVPVSSYSA-N 0 3 213.281 0.395 20 0 BCADHN NC[C@H]1CC(C(=O)NC2CCCCC2)=NO1 ZINC000852799452 588704078 /nfs/dbraw/zinc/70/40/78/588704078.db2.gz HAHPOUJJTYTURG-SECBINFHSA-N 0 3 225.292 0.539 20 0 BCADHN NC[C@H]1CC(C(=O)Nc2ccccc2F)=NO1 ZINC000852798806 588704117 /nfs/dbraw/zinc/70/41/17/588704117.db2.gz BNMFVZUZFWRIDV-SSDOTTSWSA-N 0 3 237.234 0.868 20 0 BCADHN NC[C@@H]1CC(C(=O)NCCc2ccccc2)=NO1 ZINC000852801025 588704220 /nfs/dbraw/zinc/70/42/20/588704220.db2.gz WDAWXNLOJYTUPX-NSHDSACASA-N 0 3 247.298 0.449 20 0 BCADHN Cc1cnc(NC(=O)C2=NO[C@H](CN)C2)s1 ZINC000852801433 588704518 /nfs/dbraw/zinc/70/45/18/588704518.db2.gz LCQAKVSHWUNZEZ-LURJTMIESA-N 0 3 240.288 0.494 20 0 BCADHN C[C@H]1CCCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852801673 588704670 /nfs/dbraw/zinc/70/46/70/588704670.db2.gz UQOUCGWHJCHBDF-IUCAKERBSA-N 0 3 225.292 0.491 20 0 BCADHN NC[C@@H]1CC(C(=O)NCc2cccs2)=NO1 ZINC000852802256 588704703 /nfs/dbraw/zinc/70/47/03/588704703.db2.gz FUJPTNJACXKKHI-ZETCQYMHSA-N 0 3 239.300 0.468 20 0 BCADHN NC[C@@H]1CC(C(=O)Nc2ccc(F)nc2)=NO1 ZINC000852810882 588704762 /nfs/dbraw/zinc/70/47/62/588704762.db2.gz XYQWPPCIQKWFGR-ZETCQYMHSA-N 0 3 238.222 0.263 20 0 BCADHN COC(=O)C[C@H](NC(=O)CNC(C)C)C1CC1 ZINC000852815073 588705061 /nfs/dbraw/zinc/70/50/61/588705061.db2.gz VMKBWGIXPMOILF-JTQLQIEISA-N 0 3 242.319 0.442 20 0 BCADHN NC[C@@H]1CC(C(=O)NCC2CCC2)=NO1 ZINC000852812621 588705127 /nfs/dbraw/zinc/70/51/27/588705127.db2.gz BMHQPSGNONQMFZ-QMMMGPOBSA-N 0 3 211.265 0.006 20 0 BCADHN C[C@H](CNC(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000852820973 588705233 /nfs/dbraw/zinc/70/52/33/588705233.db2.gz GETQRVHOGWIXCB-VXNVDRBHSA-N 0 3 225.292 0.252 20 0 BCADHN CC[C@@H](C)N(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852818682 588705375 /nfs/dbraw/zinc/70/53/75/588705375.db2.gz ZDKYPZCWWAMXTL-HTQZYQBOSA-N 0 3 213.281 0.347 20 0 BCADHN CC[C@@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852815868 588705383 /nfs/dbraw/zinc/70/53/83/588705383.db2.gz CRBSDPGTSBEEKH-NXEZZACHSA-N 0 3 239.319 0.739 20 0 BCADHN CC(C)N(CC1CC1)C(=O)C1=NO[C@H](CN)C1 ZINC000852815915 588705405 /nfs/dbraw/zinc/70/54/05/588705405.db2.gz DWNZQPIKLGIAAB-JTQLQIEISA-N 0 3 239.319 0.737 20 0 BCADHN CC[C@H](C)N(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852818685 588705477 /nfs/dbraw/zinc/70/54/77/588705477.db2.gz ZDKYPZCWWAMXTL-YUMQZZPRSA-N 0 3 213.281 0.347 20 0 BCADHN CC[C@H](NC)C(=O)NC1(C(=O)NC)CCCC1 ZINC000852830191 588706579 /nfs/dbraw/zinc/70/65/79/588706579.db2.gz GZUDFJFLYFVCSU-VIFPVBQESA-N 0 3 241.335 0.159 20 0 BCADHN C[C@@H]1CCCCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852839936 588707303 /nfs/dbraw/zinc/70/73/03/588707303.db2.gz NSKKFWQVEINNKJ-ZJUUUORDSA-N 0 3 239.319 0.881 20 0 BCADHN C[C@@H]1C[C@H](C)N(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852845225 588707740 /nfs/dbraw/zinc/70/77/40/588707740.db2.gz DHLPJJVIUHZPPX-VGMNWLOBSA-N 0 3 225.292 0.347 20 0 BCADHN C[C@@H]1CC[C@@H](C)N(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852842751 588707771 /nfs/dbraw/zinc/70/77/71/588707771.db2.gz HQGGSKFSYIEXEI-BBBLOLIVSA-N 0 3 239.319 0.737 20 0 BCADHN O=C(N1CCC[C@@H]2OCC[C@@H]21)[C@@]1(F)CCNC1 ZINC000852845396 588707970 /nfs/dbraw/zinc/70/79/70/588707970.db2.gz WKKNBLKGNHRPGC-JBLDHEPKSA-N 0 3 242.294 0.468 20 0 BCADHN C[C@@H]1CC[C@H](C)N1C(=O)C1=NO[C@H](CN)C1 ZINC000852853811 588708266 /nfs/dbraw/zinc/70/82/66/588708266.db2.gz SFLOFAYMBMAVBA-YIZRAAEISA-N 0 3 225.292 0.489 20 0 BCADHN CC[C@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852852560 588708404 /nfs/dbraw/zinc/70/84/04/588708404.db2.gz ATHRDYCIVABDFT-IUCAKERBSA-N 0 3 225.292 0.349 20 0 BCADHN C[C@]12COC[C@H]1CN(C(=O)[C@]1(F)CCNC1)C2 ZINC000852860331 588709136 /nfs/dbraw/zinc/70/91/36/588709136.db2.gz BWONHEJBXDLZJM-USWWRNFRSA-N 0 3 242.294 0.183 20 0 BCADHN Cc1ccc(NC(=O)C2=NO[C@@H](CN)C2)c(C)n1 ZINC000852861313 588709183 /nfs/dbraw/zinc/70/91/83/588709183.db2.gz SWJUBIBGTDIUCF-SECBINFHSA-N 0 3 248.286 0.741 20 0 BCADHN O=C(N1CC[C@@H]2COC[C@@H]2C1)[C@]1(F)CCNC1 ZINC000852865281 588709545 /nfs/dbraw/zinc/70/95/45/588709545.db2.gz YBTGVOJTHNUEID-SCVCMEIPSA-N 0 3 242.294 0.183 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCCc2n[nH]cc2C1 ZINC000852874519 588709728 /nfs/dbraw/zinc/70/97/28/588709728.db2.gz QPJAYWYVYGVKJD-DTWKUNHWSA-N 0 3 220.276 0.032 20 0 BCADHN CC[C@H](NC)C(=O)Nc1ccc2nncn2c1 ZINC000852885198 588711187 /nfs/dbraw/zinc/71/11/87/588711187.db2.gz SROSWTSTXZGUAW-VIFPVBQESA-N 0 3 233.275 0.666 20 0 BCADHN NC[C@H]1CC(C(=O)N2CCc3ccncc32)=NO1 ZINC000852888845 588711489 /nfs/dbraw/zinc/71/14/89/588711489.db2.gz NGHIEVQTJZIKEY-SECBINFHSA-N 0 3 246.270 0.074 20 0 BCADHN CC1(CCNC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852889204 588711532 /nfs/dbraw/zinc/71/15/32/588711532.db2.gz FURSBGOBRDUNLJ-QMMMGPOBSA-N 0 3 225.292 0.396 20 0 BCADHN C[C@@H]1SCC[C@@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852895694 588712034 /nfs/dbraw/zinc/71/20/34/588712034.db2.gz HEOCABWEXHIGJH-RNJXMRFFSA-N 0 3 243.332 0.100 20 0 BCADHN NC[C@@H]1CC(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)=NO1 ZINC000852894289 588712061 /nfs/dbraw/zinc/71/20/61/588712061.db2.gz PLIWKCMPPPGRPB-KYXWUPHJSA-N 0 3 237.303 0.395 20 0 BCADHN Cc1cnn(C)c1NC(=O)[C@]1(F)CCNC1 ZINC000852902642 588712601 /nfs/dbraw/zinc/71/26/01/588712601.db2.gz PAPGGJPXAVRSGM-JTQLQIEISA-N 0 3 226.255 0.369 20 0 BCADHN CC(C)[C@H](NC(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000852915442 588713096 /nfs/dbraw/zinc/71/30/96/588713096.db2.gz FVMFYDQPPMSRAJ-ONGXEEELSA-N 0 3 239.319 0.641 20 0 BCADHN Cc1conc1COC(=O)C1CCN(C)C1=O ZINC000861197228 589149638 /nfs/dbraw/zinc/14/96/38/589149638.db2.gz BUEBZZPUZBWTGF-MRVPVSSYSA-N 0 3 238.243 0.505 20 0 BCADHN C/C=C\C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861708947 589175721 /nfs/dbraw/zinc/17/57/21/589175721.db2.gz JQKIKSLNOBTAJG-MMJBKMRYSA-N 0 3 224.304 0.230 20 0 BCADHN COCCCNC(=S)NC1CCN(C)CC1 ZINC000013775613 589178216 /nfs/dbraw/zinc/17/82/16/589178216.db2.gz DHVITGNEPJGMBO-UHFFFAOYSA-N 0 3 245.392 0.581 20 0 BCADHN Cc1ccnn1CC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000861807885 589178829 /nfs/dbraw/zinc/17/88/29/589178829.db2.gz HFCQBNSWSVYEGT-VXGBXAGGSA-N 0 3 248.330 0.354 20 0 BCADHN Cc1ccnn1CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000861807879 589179023 /nfs/dbraw/zinc/17/90/23/589179023.db2.gz HFCQBNSWSVYEGT-NEPJUHHUSA-N 0 3 248.330 0.354 20 0 BCADHN CN(C[C@H](O)CO)[C@H]1CCc2ccccc21 ZINC000861815042 589179118 /nfs/dbraw/zinc/17/91/18/589179118.db2.gz GSXXVUOEFHLWKB-AAEUAGOBSA-N 0 3 221.300 0.959 20 0 BCADHN CC[C@@H](CO)C(=O)N(CC)C1CCN(C)CC1 ZINC000861892790 589182538 /nfs/dbraw/zinc/18/25/38/589182538.db2.gz SBWADSRMUZURKV-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CN(C)C1(CNC(=O)[C@H](O)c2cccnc2)CC1 ZINC000862008209 589190222 /nfs/dbraw/zinc/19/02/22/589190222.db2.gz MLRNIOIVPFUOGQ-LLVKDONJSA-N 0 3 249.314 0.325 20 0 BCADHN Cc1c[nH]c(CN2CCCN(C)CC2)n1 ZINC000862210387 589194346 /nfs/dbraw/zinc/19/43/46/589194346.db2.gz KKFZXXZTEBONGH-UHFFFAOYSA-N 0 3 208.309 0.856 20 0 BCADHN CCON(CC)C(=O)CN[C@H](C)[C@H]1CCOC1 ZINC000862453651 589214976 /nfs/dbraw/zinc/21/49/76/589214976.db2.gz LSLWMVULDCIFGE-MNOVXSKESA-N 0 3 244.335 0.801 20 0 BCADHN COC(=O)C1=CC[C@H](NCc2cncnc2)C1 ZINC000862467842 589216271 /nfs/dbraw/zinc/21/62/71/589216271.db2.gz ZNNGVVRIYKMARB-NSHDSACASA-N 0 3 233.271 0.828 20 0 BCADHN COC(=O)C1=CC[C@@H](NC2CSC2)C1 ZINC000862466871 589216785 /nfs/dbraw/zinc/21/67/85/589216785.db2.gz RQRLKZLJTHBDAO-MRVPVSSYSA-N 0 3 213.302 0.953 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CC[C@@H]1SC ZINC000862538639 589218119 /nfs/dbraw/zinc/21/81/19/589218119.db2.gz CLTQZCKJHLGIGO-YIZRAAEISA-N 0 3 232.349 0.878 20 0 BCADHN CON(C)C(=O)[C@H](C)NC1CC(OC(C)C)C1 ZINC000862538662 589218311 /nfs/dbraw/zinc/21/83/11/589218311.db2.gz CPAZDIQONMFWOW-WHXUTIOJSA-N 0 3 244.335 0.940 20 0 BCADHN COC[C@@H](C)CN[C@@H](C)C(=O)N(C)OC ZINC000862539842 589218755 /nfs/dbraw/zinc/21/87/55/589218755.db2.gz WZTMVHLALLIRHV-IUCAKERBSA-N 0 3 218.297 0.267 20 0 BCADHN O=C1OC[C@H]2CN(Cc3cccc(O)c3)C[C@@H]12 ZINC000862545395 589219113 /nfs/dbraw/zinc/21/91/13/589219113.db2.gz RLQAIHRGDCHUNV-ZYHUDNBSSA-N 0 3 233.267 0.997 20 0 BCADHN O=C1OC[C@@H]2CN(Cc3cnn4c3CCC4)C[C@H]12 ZINC000862545681 589219436 /nfs/dbraw/zinc/21/94/36/589219436.db2.gz ATHHXUAFGDEBJY-QWRGUYRKSA-N 0 3 247.298 0.434 20 0 BCADHN Cn1cccc1CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862545543 589219711 /nfs/dbraw/zinc/21/97/11/589219711.db2.gz WNDMRTNRYJYXRT-MWLCHTKSSA-N 0 3 220.272 0.630 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@@H](O)c1ccccn1 ZINC000862725998 589236600 /nfs/dbraw/zinc/23/66/00/589236600.db2.gz XZFSAZRLZIKHCC-PWSUYJOCSA-N 0 3 249.314 0.325 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)/C=C/c1ccncn1 ZINC000862725349 589236881 /nfs/dbraw/zinc/23/68/81/589236881.db2.gz YRSKZJIBIHMLRP-ZYOFXKKJSA-N 0 3 246.314 0.700 20 0 BCADHN CN1CCC(C(=O)Nn2cccn2)CC1 ZINC000862766370 589238606 /nfs/dbraw/zinc/23/86/06/589238606.db2.gz FFFCJYJSCFZNJQ-UHFFFAOYSA-N 0 3 208.265 0.295 20 0 BCADHN CN1CCC(NC(=S)N2C[C@@H]3C[C@@H]3C2)CC1 ZINC000863208042 589271580 /nfs/dbraw/zinc/27/15/80/589271580.db2.gz SLUALUBOOQXELM-AOOOYVTPSA-N 0 3 239.388 0.907 20 0 BCADHN C/C(=C\C(=O)NCCN1CC[C@@H](O)C1)C1CC1 ZINC000863323907 589279662 /nfs/dbraw/zinc/27/96/62/589279662.db2.gz LUAAVNLTAYVFKC-ZJNQMXKESA-N 0 3 238.331 0.526 20 0 BCADHN C[C@@H]1C[C@H]1CN1C(C)C(=O)N(C)S1(=O)=O ZINC000863329216 589280834 /nfs/dbraw/zinc/28/08/34/589280834.db2.gz MMVCGEUKZBWDAZ-PRJMDXOYSA-N 0 3 232.305 0.050 20 0 BCADHN C[C@@H]1C[C@@H]1CN1C(C)C(=O)N(C)S1(=O)=O ZINC000863329213 589280879 /nfs/dbraw/zinc/28/08/79/589280879.db2.gz MMVCGEUKZBWDAZ-BWZBUEFSSA-N 0 3 232.305 0.050 20 0 BCADHN c1[nH]nc2c1[C@H](NC[C@@H]1COCCN1)CCC2 ZINC000863545377 589297659 /nfs/dbraw/zinc/29/76/59/589297659.db2.gz PXXBGJNTKVFYMP-MWLCHTKSSA-N 0 3 236.319 0.365 20 0 BCADHN CON(C)C(=O)[C@H](C)NCC1(O)CCCCC1 ZINC000863587714 589302074 /nfs/dbraw/zinc/30/20/74/589302074.db2.gz RRHPYIPCMHLVQU-JTQLQIEISA-N 0 3 244.335 0.680 20 0 BCADHN CON(C)C(=O)[C@@H](C)NC[C@H](O)CCC(C)C ZINC000863586882 589302449 /nfs/dbraw/zinc/30/24/49/589302449.db2.gz NLCRMIBLYKJNLL-GHMZBOCLSA-N 0 3 246.351 0.781 20 0 BCADHN FC1(F)CCNC[C@@H]1NCC1=CCCOC1 ZINC000863642028 589306320 /nfs/dbraw/zinc/30/63/20/589306320.db2.gz PBTINEBOTDROOC-JTQLQIEISA-N 0 3 232.274 0.920 20 0 BCADHN C/C=C/C=C\C(=O)NCCN1CC[C@H](O)C1 ZINC000863830842 589321990 /nfs/dbraw/zinc/32/19/90/589321990.db2.gz XXEFTJRHTQVTCX-OIHBSNPPSA-N 0 3 224.304 0.302 20 0 BCADHN CN(CC(=O)N1CC(n2cncn2)C1)C1CCC1 ZINC000863864596 589323878 /nfs/dbraw/zinc/32/38/78/589323878.db2.gz MELWSLVSYVSXGN-UHFFFAOYSA-N 0 3 249.318 0.146 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)C1(N(C)C)CC1 ZINC000863904982 589325160 /nfs/dbraw/zinc/32/51/60/589325160.db2.gz DUARCSOSMRGVNI-LLVKDONJSA-N 0 3 239.363 0.681 20 0 BCADHN CO[C@@H]1CCN(C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000863968059 589329740 /nfs/dbraw/zinc/32/97/40/589329740.db2.gz DERBUNYSIXPHKP-YNEHKIRRSA-N 0 3 243.347 0.619 20 0 BCADHN Cn1c(CN[C@H]2C[C@@H](CO)C2)cnc1Cl ZINC000864054457 589335917 /nfs/dbraw/zinc/33/59/17/589335917.db2.gz SFQQQHJUTSQJQY-OCAPTIKFSA-N 0 3 229.711 0.934 20 0 BCADHN COCCN(CC1CCN(C)CC1)C(N)=O ZINC000864408348 589359533 /nfs/dbraw/zinc/35/95/33/589359533.db2.gz YNDLVLIQHXKEHO-UHFFFAOYSA-N 0 3 229.324 0.355 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)/C=C\COC ZINC000864609644 589382982 /nfs/dbraw/zinc/38/29/82/589382982.db2.gz AZXOMIQHAXJROC-XOIDGJRKSA-N 0 3 226.320 0.790 20 0 BCADHN CCN(CCN)C(=O)C(=O)C1CCSCC1 ZINC000864614403 589383273 /nfs/dbraw/zinc/38/32/73/589383273.db2.gz BIMVCSBBTNOTCU-UHFFFAOYSA-N 0 3 244.360 0.506 20 0 BCADHN OC1(c2cn(CCN3CCCC3)nn2)CCC1 ZINC000864651941 589388314 /nfs/dbraw/zinc/38/83/14/589388314.db2.gz FNFGFMYZBJSTHN-UHFFFAOYSA-N 0 3 236.319 0.745 20 0 BCADHN CN(CCNC(=O)C1(F)CCOCC1)C1CC1 ZINC000865003812 589404503 /nfs/dbraw/zinc/40/45/03/589404503.db2.gz POPXVASPAMZHRK-UHFFFAOYSA-N 0 3 244.310 0.716 20 0 BCADHN COC/C=C/C(=O)NCCN(C)C1CC1 ZINC000865004168 589404574 /nfs/dbraw/zinc/40/45/74/589404574.db2.gz UVWAQNOWOHTPII-ONEGZZNKSA-N 0 3 212.293 0.399 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@H]2CCC(=O)O2)C1 ZINC000865131407 589410252 /nfs/dbraw/zinc/41/02/52/589410252.db2.gz XIHXAZSWQPGBIW-VHSXEESVSA-N 0 3 240.303 0.245 20 0 BCADHN CCN(CCNC(=O)[C@H]1CCC(=O)O1)C1CC1 ZINC000865150129 589411387 /nfs/dbraw/zinc/41/13/87/589411387.db2.gz DBAKYHZYDOEIKU-SNVBAGLBSA-N 0 3 240.303 0.293 20 0 BCADHN CN1CCC(NC(=S)NC2(C)COC2)CC1 ZINC000865253393 589416394 /nfs/dbraw/zinc/41/63/94/589416394.db2.gz JEFYDEKNRWAEGM-UHFFFAOYSA-N 0 3 243.376 0.334 20 0 BCADHN CC[C@H](CO)NCc1cnc2c(cnn2C)c1 ZINC000865397439 589431770 /nfs/dbraw/zinc/43/17/70/589431770.db2.gz HGSGYTQRMKORAQ-LLVKDONJSA-N 0 3 234.303 0.829 20 0 BCADHN COCCNCc1cnc2c(cnn2C)c1 ZINC000865401105 589432579 /nfs/dbraw/zinc/43/25/79/589432579.db2.gz ICIRJSGOOUOSBJ-UHFFFAOYSA-N 0 3 220.276 0.704 20 0 BCADHN Cn1ncc2cc(CNCCO)cnc21 ZINC000865403425 589432879 /nfs/dbraw/zinc/43/28/79/589432879.db2.gz FFBTTWHVDYCGEN-UHFFFAOYSA-N 0 3 206.249 0.050 20 0 BCADHN CNC(=O)CCNCc1cnc2c(cnn2C)c1 ZINC000865431497 589435477 /nfs/dbraw/zinc/43/54/77/589435477.db2.gz FRURVHUURGFTLU-UHFFFAOYSA-N 0 3 247.302 0.194 20 0 BCADHN Cn1ncc2cc(CNC[C@H](O)C3CC3)cnc21 ZINC000865462420 589437883 /nfs/dbraw/zinc/43/78/83/589437883.db2.gz NUDVSRQOKMIARR-LBPRGKRZSA-N 0 3 246.314 0.829 20 0 BCADHN COc1cncc(CNCC[S@](C)=O)c1C ZINC000865466773 589438598 /nfs/dbraw/zinc/43/85/98/589438598.db2.gz NOUNUVLTIJZBCB-INIZCTEOSA-N 0 3 242.344 0.867 20 0 BCADHN Cn1ncc2cc(CN[C@@H]3CCOC3)cnc21 ZINC000865509646 589442433 /nfs/dbraw/zinc/44/24/33/589442433.db2.gz ZOMVSUWTEPOJJZ-LLVKDONJSA-N 0 3 232.287 0.847 20 0 BCADHN COC[C@@H](O)CNCc1cncc(OC)c1C ZINC000865558162 589446201 /nfs/dbraw/zinc/44/62/01/589446201.db2.gz QVROHPKSXMQWHZ-NSHDSACASA-N 0 3 240.303 0.496 20 0 BCADHN Cn1ncc2cc(CNC/C=C/CO)cnc21 ZINC000865623391 589452043 /nfs/dbraw/zinc/45/20/43/589452043.db2.gz ONOXNKPYTCBVGX-NSCUHMNNSA-N 0 3 232.287 0.606 20 0 BCADHN CCn1nncc1CN[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865692774 589456389 /nfs/dbraw/zinc/45/63/89/589456389.db2.gz DDCUUDVNBBQHDN-WXDOIIRRSA-N 0 3 248.330 0.811 20 0 BCADHN COC/C=C\C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000865711495 589458096 /nfs/dbraw/zinc/45/80/96/589458096.db2.gz LYUKVIXQARJGHJ-VSQXVHSFSA-N 0 3 238.331 0.742 20 0 BCADHN COC/C=C\C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000865718444 589458263 /nfs/dbraw/zinc/45/82/63/589458263.db2.gz ZKPKZZASIJQPSH-VSQXVHSFSA-N 0 3 238.331 0.884 20 0 BCADHN COc1cc(C)ccc1CNC[C@H](O)[C@H](C)O ZINC000865737975 589459330 /nfs/dbraw/zinc/45/93/30/589459330.db2.gz INMGQDACEOVRSL-JQWIXIFHSA-N 0 3 239.315 0.835 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1cccc2n[nH]cc21 ZINC000865737986 589459392 /nfs/dbraw/zinc/45/93/92/589459392.db2.gz ISZRFTLNLSYTRO-PELKAZGASA-N 0 3 235.287 0.394 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1cc2cnccc2o1 ZINC000865738148 589459707 /nfs/dbraw/zinc/45/97/07/589459707.db2.gz JPTUXORSOXAJCQ-KCJUWKMLSA-N 0 3 236.271 0.659 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1cnc(C2CC2)s1 ZINC000865738849 589459711 /nfs/dbraw/zinc/45/97/11/589459711.db2.gz KUIRABTUNQDTHH-XCBNKYQSSA-N 0 3 242.344 0.852 20 0 BCADHN Cc1nc(F)ccc1CNC[C@H](O)[C@@H](C)O ZINC000865739015 589459715 /nfs/dbraw/zinc/45/97/15/589459715.db2.gz MDTSXWIPXHVGLB-SCZZXKLOSA-N 0 3 228.267 0.360 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1ccc(F)nc1 ZINC000865738649 589459805 /nfs/dbraw/zinc/45/98/05/589459805.db2.gz ILOKDTLAYCKLPZ-IONNQARKSA-N 0 3 214.240 0.052 20 0 BCADHN Cc1cc(CNC[C@@H](O)[C@@H](C)O)cnc1Cl ZINC000865738813 589459914 /nfs/dbraw/zinc/45/99/14/589459914.db2.gz KBXTWHFQRPEJEQ-PSASIEDQSA-N 0 3 244.722 0.875 20 0 BCADHN Cc1cccc2ncc(CNC[C@H](O)[C@H](C)O)n21 ZINC000865738666 589459941 /nfs/dbraw/zinc/45/99/41/589459941.db2.gz ITFQCROKRJTPDE-JQWIXIFHSA-N 0 3 249.314 0.474 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1ccc(Cl)nc1 ZINC000865740015 589460015 /nfs/dbraw/zinc/46/00/15/589460015.db2.gz ZERZSYXYLZKRSK-IONNQARKSA-N 0 3 230.695 0.566 20 0 BCADHN COC/C=C/C(=O)N[C@@H](CN(C)C)C(C)C ZINC000865800401 589462267 /nfs/dbraw/zinc/46/22/67/589462267.db2.gz NEHXJTSDNAHPIJ-MLRMMBSGSA-N 0 3 228.336 0.891 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)[C@H]1CCC(=O)O1 ZINC000865800803 589462285 /nfs/dbraw/zinc/46/22/85/589462285.db2.gz STDUEWZDDOEZMO-NXEZZACHSA-N 0 3 242.319 0.394 20 0 BCADHN 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ZINC000872320641 589912569 /nfs/dbraw/zinc/91/25/69/589912569.db2.gz GBXJRYJLUSPUPE-AOOOYVTPSA-N 0 3 226.276 0.017 20 0 BCADHN C[C@@H](CN(C)C)Nc1nc(N)nc(C(F)F)n1 ZINC000872547575 589949114 /nfs/dbraw/zinc/94/91/14/589949114.db2.gz IONVEWYCVWEROE-YFKPBYRVSA-N 0 3 246.265 0.753 20 0 BCADHN CC[S@](=O)CCNCc1cccnc1 ZINC000124148641 589951826 /nfs/dbraw/zinc/95/18/26/589951826.db2.gz GEANWSPYJYASQA-CQSZACIVSA-N 0 3 212.318 0.940 20 0 BCADHN C[C@@H]1CCN(CN2CC3(COC3)CC2=O)[C@@H]1C ZINC000872586438 589954451 /nfs/dbraw/zinc/95/44/51/589954451.db2.gz LHJUFHBNTKJEPA-GHMZBOCLSA-N 0 3 238.331 0.923 20 0 BCADHN C[C@H]1CN(CN2CC3(COC3)CC2=O)C[C@@H]1C ZINC000872586154 589954632 /nfs/dbraw/zinc/95/46/32/589954632.db2.gz AOJHYHPIMKSNEX-QWRGUYRKSA-N 0 3 238.331 0.781 20 0 BCADHN O=C(OCCF)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC000872617454 589956653 /nfs/dbraw/zinc/95/66/53/589956653.db2.gz RRVIAKAXYPICKM-VHSXEESVSA-N 0 3 246.282 0.233 20 0 BCADHN c1nncn1CN1CC[C@H]2CSC[C@H]2C1 ZINC000872722843 589964751 /nfs/dbraw/zinc/96/47/51/589964751.db2.gz VLSNRYUEIRIWGC-VHSXEESVSA-N 0 3 224.333 0.921 20 0 BCADHN OC[C@H]1CN2CCC[C@H]2CN1c1ncccn1 ZINC000872757406 589966054 /nfs/dbraw/zinc/96/60/54/589966054.db2.gz BJGDQBJEOMKITA-WDEREUQCSA-N 0 3 234.303 0.122 20 0 BCADHN C[C@H]1CC(=O)N(CN2C[C@@H]3COC[C@@H]3C2)C1 ZINC000872785852 589970585 /nfs/dbraw/zinc/97/05/85/589970585.db2.gz ZEFVLFUOMYMMJY-GARJFASQSA-N 0 3 224.304 0.391 20 0 BCADHN C[C@H]1CCN(CN2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000872786124 589970779 /nfs/dbraw/zinc/97/07/79/589970779.db2.gz RYCKOKWBWHDPIX-GARJFASQSA-N 0 3 224.304 0.391 20 0 BCADHN O=C1CC[C@H](NCc2cccnc2F)CCN1 ZINC000873118756 589984986 /nfs/dbraw/zinc/98/49/86/589984986.db2.gz SMYVUWPOAXYNQC-JTQLQIEISA-N 0 3 237.278 0.979 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1ccc2nccnc2c1 ZINC000873149494 589986794 /nfs/dbraw/zinc/98/67/94/589986794.db2.gz PMPMVGGBTRCSTQ-NOZJJQNGSA-N 0 3 247.298 0.461 20 0 BCADHN CN(C)c1ncc(CNC[C@H]2C[C@H](O)C2)cn1 ZINC000873177317 589989845 /nfs/dbraw/zinc/98/98/45/589989845.db2.gz FALDHGWEVOXKSO-HOMQSWHASA-N 0 3 236.319 0.403 20 0 BCADHN CN(Cc1cnc(N)cn1)[C@H]1CCN(C2CC2)C1 ZINC000873204547 589993515 /nfs/dbraw/zinc/99/35/15/589993515.db2.gz GOWMRDISWUNZAS-LBPRGKRZSA-N 0 3 247.346 0.727 20 0 BCADHN CCC(CC)(CO)NCc1cnc(N)cn1 ZINC000873207334 589994168 /nfs/dbraw/zinc/99/41/68/589994168.db2.gz VVSKRRVKMFIKBQ-UHFFFAOYSA-N 0 3 224.308 0.700 20 0 BCADHN Nc1cnc(CN2CC[C@H]([C@H]3CCOC3)C2)cn1 ZINC000873209223 589994748 /nfs/dbraw/zinc/99/47/48/589994748.db2.gz KBIMRGVQVZEORP-QWRGUYRKSA-N 0 3 248.330 0.917 20 0 BCADHN Nc1cnc(CN[C@H]2CCCOCC2)cn1 ZINC000873211614 589996297 /nfs/dbraw/zinc/99/62/97/589996297.db2.gz QCJFOUGRZLKGIM-VIFPVBQESA-N 0 3 222.292 0.718 20 0 BCADHN Nc1cnc(CN[C@@H]2CCCOCC2)cn1 ZINC000873211613 589996546 /nfs/dbraw/zinc/99/65/46/589996546.db2.gz QCJFOUGRZLKGIM-SECBINFHSA-N 0 3 222.292 0.718 20 0 BCADHN CCC(CC)[C@H](O)CNCc1cnc(N)cn1 ZINC000873213362 589997242 /nfs/dbraw/zinc/99/72/42/589997242.db2.gz WNFJGOOMKAXLGY-LLVKDONJSA-N 0 3 238.335 0.946 20 0 BCADHN CCOC(CN(C)C[C@H](C)C(=O)NC)OCC ZINC000124542763 590048364 /nfs/dbraw/zinc/04/83/64/590048364.db2.gz CVTQLHJZVFZTFD-JTQLQIEISA-N 0 3 246.351 0.699 20 0 BCADHN C[C@H](C(=O)NC1CCCCC1)N1CCNCC1 ZINC000019976922 590061588 /nfs/dbraw/zinc/06/15/88/590061588.db2.gz MZYRHJSHCJDUDD-LLVKDONJSA-N 0 3 239.363 0.729 20 0 BCADHN O=C(CN1CCCC1)NCCCn1ccnc1 ZINC000873732868 590069201 /nfs/dbraw/zinc/06/92/01/590069201.db2.gz NQFQELXNQKEWBB-UHFFFAOYSA-N 0 3 236.319 0.485 20 0 BCADHN CCN(CCC(=O)OC)C(=O)CN1CCCC1 ZINC000874113441 590092309 /nfs/dbraw/zinc/09/23/09/590092309.db2.gz RKJIFHDXCUSIFW-UHFFFAOYSA-N 0 3 242.319 0.494 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000874300736 590102794 /nfs/dbraw/zinc/10/27/94/590102794.db2.gz ACSYKWIMVDDBGU-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN CC(C)(C)[C@H](NCCC1OCCO1)C(N)=O ZINC000124936277 590103145 /nfs/dbraw/zinc/10/31/45/590103145.db2.gz SWMUSXYFIPEZLN-SECBINFHSA-N 0 3 230.308 0.239 20 0 BCADHN Cc1nc[nH]c1C(=O)NC[C@@H](C)N1CCCC1 ZINC000874378737 590106568 /nfs/dbraw/zinc/10/65/68/590106568.db2.gz HBYQYHSSPYZYJP-SECBINFHSA-N 0 3 236.319 0.932 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)CN1CCCC1 ZINC000874468489 590113839 /nfs/dbraw/zinc/11/38/39/590113839.db2.gz IZZCKGJYTQGMEX-GFCCVEGCSA-N 0 3 241.379 0.785 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCCN2C)N(C)C ZINC000874822161 590141334 /nfs/dbraw/zinc/14/13/34/590141334.db2.gz GKIBRNVPZUCDEM-IJLUTSLNSA-N 0 3 239.363 0.632 20 0 BCADHN C[C@@H](C(=O)N1CC[C@H]2[C@H]1CCCN2C)N(C)C ZINC000874822163 590141685 /nfs/dbraw/zinc/14/16/85/590141685.db2.gz GKIBRNVPZUCDEM-SDDRHHMPSA-N 0 3 239.363 0.632 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874827921 590142218 /nfs/dbraw/zinc/14/22/18/590142218.db2.gz FMGMACMDHFZBPV-SDDRHHMPSA-N 0 3 240.347 0.698 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)CC(C)(C)O ZINC000874829529 590142726 /nfs/dbraw/zinc/14/27/26/590142726.db2.gz LTAXMOANBWTDNP-WDEREUQCSA-N 0 3 240.347 0.843 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874827919 590142743 /nfs/dbraw/zinc/14/27/43/590142743.db2.gz FMGMACMDHFZBPV-IJLUTSLNSA-N 0 3 240.347 0.698 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ncc[nH]1 ZINC000874831274 590143188 /nfs/dbraw/zinc/14/31/88/590143188.db2.gz YYWSYVCXUOHKFB-MNOVXSKESA-N 0 3 248.330 0.647 20 0 BCADHN C[C@H](O)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874830161 590144232 /nfs/dbraw/zinc/14/42/32/590144232.db2.gz QIKAWTMWRJZTET-IVZWLZJFSA-N 0 3 212.293 0.062 20 0 BCADHN CC[C@H](C[C@@H](C)O)NC(=O)N[C@@H](C)CN(C)C ZINC000875582478 590165706 /nfs/dbraw/zinc/16/57/06/590165706.db2.gz PXXUTXZYSFLNBW-HBNTYKKESA-N 0 3 245.367 0.785 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@H]1C[C@H](O)C1 ZINC000875582345 590165960 /nfs/dbraw/zinc/16/59/60/590165960.db2.gz OLTUTNUPSRKISK-GUBZILKMSA-N 0 3 229.324 0.007 20 0 BCADHN CN(C)CCNC(=O)NCC[C@H]1CCSC1 ZINC000875937589 590178633 /nfs/dbraw/zinc/17/86/33/590178633.db2.gz UVLHTTNBQYUTMJ-JTQLQIEISA-N 0 3 245.392 0.990 20 0 BCADHN CC1=NO[C@H](CNC(=O)N[C@@H](C)CN(C)C)C1 ZINC000875962283 590179868 /nfs/dbraw/zinc/17/98/68/590179868.db2.gz SOTIUZSPPMFZQF-UWVGGRQHSA-N 0 3 242.323 0.401 20 0 BCADHN Cc1nocc1NC(=O)NCCN(C)CCO ZINC000888715619 590193501 /nfs/dbraw/zinc/19/35/01/590193501.db2.gz RQPFEVSHYVHNLF-UHFFFAOYSA-N 0 3 242.279 0.029 20 0 BCADHN CNCc1cccc(NC(=O)[C@@H]2COC(=O)N2)c1 ZINC000876509521 590204994 /nfs/dbraw/zinc/20/49/94/590204994.db2.gz HZUBKYKOTISIRD-JTQLQIEISA-N 0 3 249.270 0.453 20 0 BCADHN COCCNC(=S)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000126002904 590213548 /nfs/dbraw/zinc/21/35/48/590213548.db2.gz QMEKFAVPCWUYSN-NXEZZACHSA-N 0 3 245.392 0.580 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H](N)CN(C)C)C[C@H](C)S1 ZINC000876626334 590223581 /nfs/dbraw/zinc/22/35/81/590223581.db2.gz VWESORZSZKEXJL-GUBZILKMSA-N 0 3 245.392 0.228 20 0 BCADHN Cn1ncc2cc(CN3CC[C@@H](CO)C3)cnc21 ZINC000876659766 590227519 /nfs/dbraw/zinc/22/75/19/590227519.db2.gz FSPWVENOSAMDAV-SNVBAGLBSA-N 0 3 246.314 0.783 20 0 BCADHN CC[C@H]1C[C@H](C)CN1C(=O)[C@@H](N)CN(C)C ZINC000876671164 590228910 /nfs/dbraw/zinc/22/89/10/590228910.db2.gz VRLQUNDRRKOVHV-DCAQKATOSA-N 0 3 227.352 0.522 20 0 BCADHN C[C@@H]1C[C@H](C)CN1C(=O)[C@@H](N)CN(C)C ZINC000876676686 590229905 /nfs/dbraw/zinc/22/99/05/590229905.db2.gz USGMNIFKYWNMQN-AEJSXWLSSA-N 0 3 213.325 0.132 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](CC(=O)OC)C1CC1 ZINC000876703356 590231696 /nfs/dbraw/zinc/23/16/96/590231696.db2.gz DEHSTSVKBWEYJN-PSASIEDQSA-N 0 3 242.319 0.442 20 0 BCADHN CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)[N-]OCC(F)(F)F ZINC000876706679 590232435 /nfs/dbraw/zinc/23/24/35/590232435.db2.gz BROVUPUJOZAPOS-RITPCOANSA-N 0 3 240.225 0.970 20 0 BCADHN Cc1cc(NC(=O)[C@@H](N)CN(C)C)ccc1N ZINC000876803333 590244118 /nfs/dbraw/zinc/24/41/18/590244118.db2.gz FDDLOUAOHLLITP-NSHDSACASA-N 0 3 236.319 0.405 20 0 BCADHN Cc1cc(NC(=O)CN2CCNCC2)ccc1N ZINC000876804890 590244484 /nfs/dbraw/zinc/24/44/84/590244484.db2.gz VNDBQQZPIDBKAR-UHFFFAOYSA-N 0 3 248.330 0.421 20 0 BCADHN CC[C@H]1CC[C@@H](C)N1C(=O)[C@@H](N)CN(C)C ZINC000876901652 590255681 /nfs/dbraw/zinc/25/56/81/590255681.db2.gz GHLGAGPLJVBDGC-VWYCJHECSA-N 0 3 227.352 0.665 20 0 BCADHN CC/C=C(\F)C(=O)NC[C@H]1CNCCO1 ZINC000876917819 590257022 /nfs/dbraw/zinc/25/70/22/590257022.db2.gz WVRSARLAZCQMOF-MMEMACFNSA-N 0 3 216.256 0.354 20 0 BCADHN O=C1C[C@H](NC[C@H](O)c2ccco2)CCCN1 ZINC000876917042 590257097 /nfs/dbraw/zinc/25/70/97/590257097.db2.gz MHLONROYIFHGPO-ZJUUUORDSA-N 0 3 238.287 0.571 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1nn(CC)nc1C ZINC000876930547 590258338 /nfs/dbraw/zinc/25/83/38/590258338.db2.gz ADNHVLGPDHDSIG-VIFPVBQESA-N 0 3 239.323 0.221 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC[C@@]1(C)CC1(F)F ZINC000876968264 590262427 /nfs/dbraw/zinc/26/24/27/590262427.db2.gz NWMKEYIDLMZSGX-WPRPVWTQSA-N 0 3 249.305 0.427 20 0 BCADHN O=C(NCC[C@@H]1CCCOC1)[C@@]1(F)CCNC1 ZINC000876990687 590266274 /nfs/dbraw/zinc/26/62/74/590266274.db2.gz MASDDZOCIHRKJC-CMPLNLGQSA-N 0 3 244.310 0.621 20 0 BCADHN O=C(NCC[C@H]1CCCOC1)[C@]1(F)CCNC1 ZINC000876990689 590266398 /nfs/dbraw/zinc/26/63/98/590266398.db2.gz MASDDZOCIHRKJC-PWSUYJOCSA-N 0 3 244.310 0.621 20 0 BCADHN NC[C@H]1CC(C(=O)NCC2CC=CC2)=NO1 ZINC000876997991 590266739 /nfs/dbraw/zinc/26/67/39/590266739.db2.gz AZONPKOLZQPELR-SECBINFHSA-N 0 3 223.276 0.172 20 0 BCADHN O=C(NCC1CC=CC1)[C@]1(F)CCNC1 ZINC000876999530 590267273 /nfs/dbraw/zinc/26/72/73/590267273.db2.gz FJOQRMKDHKPGRS-NSHDSACASA-N 0 3 212.268 0.770 20 0 BCADHN CC(C)[C@@H]1CNCCN1C(=O)[C@H](C)NC1CC1 ZINC000876998721 590267343 /nfs/dbraw/zinc/26/73/43/590267343.db2.gz QGYVVQRLSYWTCX-JQWIXIFHSA-N 0 3 239.363 0.583 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CC=C(C(=O)OC)C1 ZINC000876999278 590267366 /nfs/dbraw/zinc/26/73/66/590267366.db2.gz CUVYRKRIRLYLPH-BDAKNGLRSA-N 0 3 226.276 0.102 20 0 BCADHN COC(=O)C1=CC[C@@H](NC(=O)C2(N)CCC2)C1 ZINC000877002786 590268165 /nfs/dbraw/zinc/26/81/65/590268165.db2.gz ZQFWCQJUYZAIEB-SECBINFHSA-N 0 3 238.287 0.246 20 0 BCADHN CCNCC(=O)Nc1cnn(CCF)c1 ZINC000877013648 590268583 /nfs/dbraw/zinc/26/85/83/590268583.db2.gz UUEQPOJNYZJYBJ-UHFFFAOYSA-N 0 3 214.244 0.401 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1cnn(CCF)c1 ZINC000877012800 590268664 /nfs/dbraw/zinc/26/86/64/590268664.db2.gz DZHNSKDIIGVYOF-MRVPVSSYSA-N 0 3 240.282 0.932 20 0 BCADHN O=C(N(C1CC1)C1CC1)[C@@]1(F)CCNC1 ZINC000877023036 590270658 /nfs/dbraw/zinc/27/06/58/590270658.db2.gz BKKMFUYXSPZTBT-LLVKDONJSA-N 0 3 212.268 0.841 20 0 BCADHN CCOC(=O)C1=CC[C@H](NC(=O)[C@H](C)N)C1 ZINC000877028075 590271362 /nfs/dbraw/zinc/27/13/62/590271362.db2.gz SKGAOKMSOWNULR-CBAPKCEASA-N 0 3 226.276 0.102 20 0 BCADHN C[C@H](CCO)NCc1ccc(Cl)nn1 ZINC000877052034 590274637 /nfs/dbraw/zinc/27/46/37/590274637.db2.gz QNCLKAUHOIJVTB-SSDOTTSWSA-N 0 3 215.684 0.991 20 0 BCADHN O=C(Nc1cccc(-n2nccn2)c1)[C@H]1CCN1 ZINC000877139613 590291771 /nfs/dbraw/zinc/29/17/71/590291771.db2.gz UHRHBUBJNGRQSQ-LLVKDONJSA-N 0 3 243.270 0.568 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1F ZINC000877179546 590298160 /nfs/dbraw/zinc/29/81/60/590298160.db2.gz WEIGYSVSEFPBIA-XHNCKOQMSA-N 0 3 202.273 0.991 20 0 BCADHN C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(N)cc1[O-] ZINC000877171164 590295671 /nfs/dbraw/zinc/29/56/71/590295671.db2.gz AINGAEHBYBEDKG-VXNVDRBHSA-N 0 3 235.287 0.536 20 0 BCADHN CN(C)Cc1ccnc(NCc2ncnn2C)c1 ZINC000877171964 590296487 /nfs/dbraw/zinc/29/64/87/590296487.db2.gz IDVAZJYYTVYEKH-UHFFFAOYSA-N 0 3 246.318 0.884 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@]2(F)CCNC2)[C@H](C)O1 ZINC000877173266 590296664 /nfs/dbraw/zinc/29/66/64/590296664.db2.gz BHSHAMPLADMBAN-UYAYMFIHSA-N 0 3 230.283 0.370 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@]2(F)CCNC2)[C@H](C)O1 ZINC000877173262 590296809 /nfs/dbraw/zinc/29/68/09/590296809.db2.gz BHSHAMPLADMBAN-HJGDQZAQSA-N 0 3 230.283 0.370 20 0 BCADHN O=C(C[C@H]1CNCCO1)N[C@H]1CCCC[C@H]1F ZINC000877179543 590298135 /nfs/dbraw/zinc/29/81/35/590298135.db2.gz WDZNVDOFNAPSKX-AXFHLTTASA-N 0 3 244.310 0.762 20 0 BCADHN Cc1ccc(CNC(=O)C2=NO[C@H](CN)C2)o1 ZINC000877202581 590300413 /nfs/dbraw/zinc/30/04/13/590300413.db2.gz WKIISFWWIJYMAO-VIFPVBQESA-N 0 3 237.259 0.308 20 0 BCADHN Cn1cc(CCNC(=O)CN)c2cccnc21 ZINC000877247245 590303678 /nfs/dbraw/zinc/30/36/78/590303678.db2.gz FZWGHANHBSPFMW-UHFFFAOYSA-N 0 3 232.287 0.191 20 0 BCADHN CC1(C)C[C@H](O)CN(C(=O)C2(N)CC2)C1 ZINC000877249716 590303702 /nfs/dbraw/zinc/30/37/02/590303702.db2.gz CHJXXUFPXZTJSY-QMMMGPOBSA-N 0 3 212.293 0.097 20 0 BCADHN CCNCC(=O)N1CC[C@H]2CSC[C@H]2C1 ZINC000877250579 590303958 /nfs/dbraw/zinc/30/39/58/590303958.db2.gz QEPOSEVDVTWVRJ-VHSXEESVSA-N 0 3 228.361 0.807 20 0 BCADHN C[C@@H](NC(=O)[C@H]1CCCCN1)c1ccnn1C ZINC000877263878 590304628 /nfs/dbraw/zinc/30/46/28/590304628.db2.gz FRMGNXDRUZXZOF-NXEZZACHSA-N 0 3 236.319 0.739 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)c1ccnn1C ZINC000877264442 590305206 /nfs/dbraw/zinc/30/52/06/590305206.db2.gz PYGIRHYTNXCFCJ-PSASIEDQSA-N 0 3 238.335 0.971 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCO[C@H](C(F)F)C1 ZINC000877298405 590308129 /nfs/dbraw/zinc/30/81/29/590308129.db2.gz DNXXGJSMPMBBAP-YUMQZZPRSA-N 0 3 248.273 0.477 20 0 BCADHN CC(C)NCC(=O)N1CCO[C@H](C(F)F)C1 ZINC000877299669 590308348 /nfs/dbraw/zinc/30/83/48/590308348.db2.gz MPRFRFDCBLOZIX-QMMMGPOBSA-N 0 3 236.262 0.477 20 0 BCADHN N[C@@H](C(=O)N1CCO[C@@H](C(F)F)C1)C1CCC1 ZINC000877299005 590308383 /nfs/dbraw/zinc/30/83/83/590308383.db2.gz ILTIWPPZEQASPZ-RKDXNWHRSA-N 0 3 248.273 0.606 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877300584 590308980 /nfs/dbraw/zinc/30/89/80/590308980.db2.gz XWSKVBKODLSFFB-HTQZYQBOSA-N 0 3 236.262 0.462 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877308830 590310488 /nfs/dbraw/zinc/31/04/88/590310488.db2.gz CWJOGTRWDFEBSI-XFWSIPNHSA-N 0 3 212.293 0.407 20 0 BCADHN COCC(C)(C)CCNC(=O)[C@]1(F)CCNC1 ZINC000877305464 590311097 /nfs/dbraw/zinc/31/10/97/590311097.db2.gz QEWWLXFVKIJVDG-LBPRGKRZSA-N 0 3 246.326 0.867 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877310909 590312542 /nfs/dbraw/zinc/31/25/42/590312542.db2.gz SQEDIWUXKBMTAF-UKKRHICBSA-N 0 3 226.320 0.798 20 0 BCADHN CC(C)NCC(=O)NCCC[C@@H]1CCOC1=O ZINC000877312093 590313252 /nfs/dbraw/zinc/31/32/52/590313252.db2.gz QNTJMIRFAHFEQM-SNVBAGLBSA-N 0 3 242.319 0.444 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cc(N)cc(F)c1 ZINC000877323201 590316760 /nfs/dbraw/zinc/31/67/60/590316760.db2.gz XWOQCXUGHZNJNM-ZETCQYMHSA-N 0 3 225.267 0.632 20 0 BCADHN C[C@@H]1CN(C(=O)CN)CC[C@H](C(F)(F)F)O1 ZINC000877383291 590320594 /nfs/dbraw/zinc/32/05/94/590320594.db2.gz FKASZEZZGYQLAX-RNFRBKRXSA-N 0 3 240.225 0.513 20 0 BCADHN COC(=O)CC[C@@H]1CCCN(C(=O)[C@@H](C)N)C1 ZINC000877382035 590320672 /nfs/dbraw/zinc/32/06/72/590320672.db2.gz MFVXUVJDTRFYLZ-ZJUUUORDSA-N 0 3 242.319 0.525 20 0 BCADHN COC(=O)CC[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000877382033 590320724 /nfs/dbraw/zinc/32/07/24/590320724.db2.gz MFVXUVJDTRFYLZ-UWVGGRQHSA-N 0 3 242.319 0.525 20 0 BCADHN Cc1nccnc1[C@H](C)NC(=O)C(C)(C)N ZINC000877431769 590325763 /nfs/dbraw/zinc/32/57/63/590325763.db2.gz LENUZJYLOOXZRN-QMMMGPOBSA-N 0 3 222.292 0.700 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)c1nccnc1C ZINC000877432611 590327217 /nfs/dbraw/zinc/32/72/17/590327217.db2.gz XBTVYKWNSAIXQD-IUCAKERBSA-N 0 3 222.292 0.570 20 0 BCADHN Cc1nccnc1[C@@H](C)NC(=O)[C@@H](N)C(C)C ZINC000877432921 590327439 /nfs/dbraw/zinc/32/74/39/590327439.db2.gz ZFJSAOIUACKIMO-ZJUUUORDSA-N 0 3 236.319 0.946 20 0 BCADHN CCn1ncc(NC(=O)[C@H]2CCN2)c1C ZINC000877452510 590330037 /nfs/dbraw/zinc/33/00/37/590330037.db2.gz ZESRXIWNYJPSEF-MRVPVSSYSA-N 0 3 208.265 0.512 20 0 BCADHN CO[C@@]1(CNCC2(C)OCCCO2)CCOC1 ZINC000877474565 590336181 /nfs/dbraw/zinc/33/61/81/590336181.db2.gz BDLBFNGPKUMYNK-GFCCVEGCSA-N 0 3 245.319 0.535 20 0 BCADHN CC[C@@H](C)[C@H](CN[C@H](C)C(N)=O)OC ZINC000877481075 590336631 /nfs/dbraw/zinc/33/66/31/590336631.db2.gz UFMHCXGOGSBACC-HLTSFMKQSA-N 0 3 202.298 0.511 20 0 BCADHN C[C@H](NCc1cnnn1C)[C@H]1CC1(F)F ZINC000877534390 590348903 /nfs/dbraw/zinc/34/89/03/590348903.db2.gz HRUSSZJOIJGVRC-POYBYMJQSA-N 0 3 216.235 0.948 20 0 BCADHN C[C@@H](NCc1cnnn1C)[C@@H]1CC1(F)F ZINC000877534391 590349360 /nfs/dbraw/zinc/34/93/60/590349360.db2.gz HRUSSZJOIJGVRC-SVRRBLITSA-N 0 3 216.235 0.948 20 0 BCADHN CO[C@H](C)[C@@H](C)NCCS(=O)(=O)C1CC1 ZINC000877591061 590356423 /nfs/dbraw/zinc/35/64/23/590356423.db2.gz OESGJLGIVUABJI-RKDXNWHRSA-N 0 3 235.349 0.577 20 0 BCADHN CC[C@@H](C)[C@H](CN1CC(C(=O)NC)C1)OC ZINC000877581883 590365768 /nfs/dbraw/zinc/36/57/68/590365768.db2.gz XIWCEKCBKAHPEX-KOLCDFICSA-N 0 3 228.336 0.725 20 0 BCADHN C[C@@H](NCCS(=O)(=O)C1CC1)[C@@H]1CCCO1 ZINC000877590665 590368621 /nfs/dbraw/zinc/36/86/21/590368621.db2.gz CXYLCDRQRYJWJE-KOLCDFICSA-N 0 3 247.360 0.721 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CS[C@@H](C)C1 ZINC000877606380 590370270 /nfs/dbraw/zinc/37/02/70/590370270.db2.gz ADIGBBJOWSOXHH-DTWKUNHWSA-N 0 3 232.349 0.880 20 0 BCADHN CO[C@H](C)CN1CC[C@H](Nc2ncccn2)C1 ZINC000877603968 590371761 /nfs/dbraw/zinc/37/17/61/590371761.db2.gz VGQAXIMWLSDUOQ-MNOVXSKESA-N 0 3 236.319 0.998 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000877606758 590372034 /nfs/dbraw/zinc/37/20/34/590372034.db2.gz KGARBNWANQQVGL-NXEZZACHSA-N 0 3 230.308 0.553 20 0 BCADHN CCN(OC)C(=O)CNC[C@@](C)(OC)C1CC1 ZINC000877606607 590372125 /nfs/dbraw/zinc/37/21/25/590372125.db2.gz GMQILERLPUENML-GFCCVEGCSA-N 0 3 244.335 0.801 20 0 BCADHN CCC[C@@H](CNCC(=O)N(C)OCC)OC ZINC000877612672 590372288 /nfs/dbraw/zinc/37/22/88/590372288.db2.gz UHMWLESHDGMHFI-JTQLQIEISA-N 0 3 232.324 0.801 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1CS[C@H](C)C1 ZINC000877660333 590386939 /nfs/dbraw/zinc/38/69/39/590386939.db2.gz LUGWEOPQOGNUMH-HRDYMLBCSA-N 0 3 232.349 0.878 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1CS[C@H](C)C1 ZINC000877660332 590387145 /nfs/dbraw/zinc/38/71/45/590387145.db2.gz LUGWEOPQOGNUMH-HLTSFMKQSA-N 0 3 232.349 0.878 20 0 BCADHN O=C1C[C@@H](NCc2ccnc(F)c2)CCCN1 ZINC000877697437 590393961 /nfs/dbraw/zinc/39/39/61/590393961.db2.gz MLFXBUVLYFJIHO-JTQLQIEISA-N 0 3 237.278 0.979 20 0 BCADHN Cn1ncc(CN2CCN(C)C(C)(C)CC2)n1 ZINC000877700756 590394974 /nfs/dbraw/zinc/39/49/74/590394974.db2.gz GZQHJJQEDHFMMB-UHFFFAOYSA-N 0 3 237.351 0.731 20 0 BCADHN CN(Cc1cnn(C)n1)[C@@H]1CN2CCC1CC2 ZINC000877706178 590397071 /nfs/dbraw/zinc/39/70/71/590397071.db2.gz HNHPHBZNFIMWTB-GFCCVEGCSA-N 0 3 235.335 0.341 20 0 BCADHN CN1C(=O)[C@H]2CN(Cc3ccccn3)C[C@H]2C1=O ZINC000877719825 590400785 /nfs/dbraw/zinc/40/07/85/590400785.db2.gz GIQGBHJHSVMIMU-PHIMTYICSA-N 0 3 245.282 0.128 20 0 BCADHN COC(=O)C1CC(NCc2ccnn2C)C1 ZINC000877721220 590401107 /nfs/dbraw/zinc/40/11/07/590401107.db2.gz JVFUGXWZQGIIIB-UHFFFAOYSA-N 0 3 223.276 0.461 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1CNCc1ccco1 ZINC000877727129 590402972 /nfs/dbraw/zinc/40/29/72/590402972.db2.gz QDWPJNQNJKFTBD-MWLCHTKSSA-N 0 3 239.271 0.947 20 0 BCADHN O[C@@H]1CCN(CCc2ccccc2)C[C@@H]1O ZINC000877749376 590413502 /nfs/dbraw/zinc/41/35/02/590413502.db2.gz IZMIYCBIBJFQDT-OLZOCXBDSA-N 0 3 221.300 0.657 20 0 BCADHN CSC1(CN2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000877749759 590414032 /nfs/dbraw/zinc/41/40/32/590414032.db2.gz UHXKNZLGKQYIHW-BDAKNGLRSA-N 0 3 217.334 0.310 20 0 BCADHN C[C@@H](N[C@H]1CCCNC(=O)C1)c1ccnn1C ZINC000877761759 590419317 /nfs/dbraw/zinc/41/93/17/590419317.db2.gz OHMQJHWSVFSFAZ-ZJUUUORDSA-N 0 3 236.319 0.739 20 0 BCADHN C[C@H](N[C@H]1CCCNC(=O)C1)c1ccnn1C ZINC000877761757 590419496 /nfs/dbraw/zinc/41/94/96/590419496.db2.gz OHMQJHWSVFSFAZ-UWVGGRQHSA-N 0 3 236.319 0.739 20 0 BCADHN Cc1ncsc1CN1C[C@H](CO)[C@H](CO)C1 ZINC000877764946 590420302 /nfs/dbraw/zinc/42/03/02/590420302.db2.gz TYVKQWFCVSZHLT-AOOOYVTPSA-N 0 3 242.344 0.484 20 0 BCADHN CO[C@@H](C)CN1CCC(c2nnnn2C)CC1 ZINC000877780902 590424267 /nfs/dbraw/zinc/42/42/67/590424267.db2.gz JVYSUVCPHVYKHU-VIFPVBQESA-N 0 3 239.323 0.424 20 0 BCADHN CN(CCS(N)(=O)=O)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000877826291 590428308 /nfs/dbraw/zinc/42/83/08/590428308.db2.gz YCEUFCFBKJKYNK-ILWJIGKKSA-N 0 3 232.349 0.253 20 0 BCADHN C[C@@H](CN1C(=O)NC2(CCC2)C1=O)N(C)C ZINC000877876579 590435091 /nfs/dbraw/zinc/43/50/91/590435091.db2.gz VMEJABYWUNWJIQ-QMMMGPOBSA-N 0 3 225.292 0.411 20 0 BCADHN C=C/C=C\CCN1C(C)C(=O)N(C)S1(=O)=O ZINC000877889675 590440235 /nfs/dbraw/zinc/44/02/35/590440235.db2.gz KSVDIEXDDURREL-UDIARPCQSA-N 0 3 244.316 0.526 20 0 BCADHN CCOC(=O)[C@@H](F)[C@H](C)N[C@H](CO)C(C)C ZINC000126767832 590440854 /nfs/dbraw/zinc/44/08/54/590440854.db2.gz VMAJWBRRLVGGHT-AEJSXWLSSA-N 0 3 235.299 0.883 20 0 BCADHN CO[C@H]1C[C@@H](CN(CC(N)=O)C(C)C)C1 ZINC000877922708 590448594 /nfs/dbraw/zinc/44/85/94/590448594.db2.gz GCNQAFDUFQPANK-AOOOYVTPSA-N 0 3 214.309 0.607 20 0 BCADHN O[C@@H](CN1CCC[C@@H](O)C1)CC1(O)CCCC1 ZINC000877934439 590450692 /nfs/dbraw/zinc/45/06/92/590450692.db2.gz BVNICHLHDMPMRV-VXGBXAGGSA-N 0 3 243.347 0.499 20 0 BCADHN CC(C)[C@@H](O)CCN1CCCC[C@@H]1C(N)=O ZINC000877941847 590453653 /nfs/dbraw/zinc/45/36/53/590453653.db2.gz NPXDILZVLDIISX-MNOVXSKESA-N 0 3 228.336 0.733 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCCC[C@H]2C(N)=O)C1 ZINC000877941870 590453972 /nfs/dbraw/zinc/45/39/72/590453972.db2.gz NWLIKBJTSGQGLJ-AXFHLTTASA-N 0 3 226.320 0.751 20 0 BCADHN CC(C)[C@H](O)CCN1CCCC[C@H]1C(N)=O ZINC000877941849 590454000 /nfs/dbraw/zinc/45/40/00/590454000.db2.gz NPXDILZVLDIISX-WDEREUQCSA-N 0 3 228.336 0.733 20 0 BCADHN CSc1nccnc1C(=O)NCCN(C)C ZINC000877951821 590455780 /nfs/dbraw/zinc/45/57/80/590455780.db2.gz QZGYPXNVISYGMD-UHFFFAOYSA-N 0 3 240.332 0.490 20 0 BCADHN CC(C)CCN(C)CCc1nnnn1C ZINC000877974464 590463955 /nfs/dbraw/zinc/46/39/55/590463955.db2.gz CBPONKYMZVZZRM-UHFFFAOYSA-N 0 3 211.313 0.731 20 0 BCADHN COCCN(C)C[C@@H](O)CC1(CO)CCCC1 ZINC000877986523 590465759 /nfs/dbraw/zinc/46/57/59/590465759.db2.gz NIEJSWFTMUINSQ-LBPRGKRZSA-N 0 3 245.363 0.868 20 0 BCADHN COCCN(C)C[C@H](O)CC1(O)CCCC1 ZINC000877987072 590466000 /nfs/dbraw/zinc/46/60/00/590466000.db2.gz ZFRZLCXOXURVRT-LLVKDONJSA-N 0 3 231.336 0.621 20 0 BCADHN CCN(CCOC)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000877993495 590467231 /nfs/dbraw/zinc/46/72/31/590467231.db2.gz OIUCZBRMLZPMQJ-CHWSQXEVSA-N 0 3 245.363 0.867 20 0 BCADHN OC[C@H]1CCCN1C[C@@H](O)CC1(O)CCCC1 ZINC000877999555 590469266 /nfs/dbraw/zinc/46/92/66/590469266.db2.gz BISGAPJAESKGDJ-NEPJUHHUSA-N 0 3 243.347 0.499 20 0 BCADHN CC(C)(O)C[C@H](O)CN1CCCOCC1 ZINC000878014385 590472247 /nfs/dbraw/zinc/47/22/47/590472247.db2.gz LPNOLTAZAXJRRJ-JTQLQIEISA-N 0 3 217.309 0.231 20 0 BCADHN CCN(CCO)C[C@@H](O)CC1(O)CCCC1 ZINC000878050657 590482603 /nfs/dbraw/zinc/48/26/03/590482603.db2.gz YHWISQVLOJRFGS-NSHDSACASA-N 0 3 231.336 0.357 20 0 BCADHN CC(C)[C@@H](O)CCN1CCNC(=O)CC1 ZINC000878049855 590482787 /nfs/dbraw/zinc/48/27/87/590482787.db2.gz MRUWPNBFUZMHCS-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN O[C@@H](CN1CC[C@H](O)C1)CC1(O)CCCC1 ZINC000878053574 590484023 /nfs/dbraw/zinc/48/40/23/590484023.db2.gz IHZOPFCLRMJSEN-WDEREUQCSA-N 0 3 229.320 0.109 20 0 BCADHN CN(C[C@H](O)CC1(O)CCCC1)[C@@H]1CCOC1 ZINC000878083950 590488231 /nfs/dbraw/zinc/48/82/31/590488231.db2.gz KJYBJRDZSZAYQQ-VXGBXAGGSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@H](O)C1CCN(C[C@H](O)CC(C)(C)O)CC1 ZINC000878097244 590493022 /nfs/dbraw/zinc/49/30/22/590493022.db2.gz XEPCEXBMKNVKOG-CMPLNLGQSA-N 0 3 245.363 0.601 20 0 BCADHN C[C@@H]1SCCN(CCc2nnnn2C)[C@H]1C ZINC000878114357 590498268 /nfs/dbraw/zinc/49/82/68/590498268.db2.gz JBSFZTGSFYKMIG-IUCAKERBSA-N 0 3 241.364 0.578 20 0 BCADHN CC(C)OCCCN(C)CCc1nnnn1C ZINC000878124802 590501652 /nfs/dbraw/zinc/50/16/52/590501652.db2.gz HQVMORCBWSWIQE-UHFFFAOYSA-N 0 3 241.339 0.500 20 0 BCADHN C[C@@H]1CN(CCc2nnnn2C)C[C@@H](C)S1 ZINC000878137350 590504434 /nfs/dbraw/zinc/50/44/34/590504434.db2.gz SRKAYDGBJFGMSN-RKDXNWHRSA-N 0 3 241.364 0.578 20 0 BCADHN CO[C@@H]1CCN(C[C@@H](O)CC2(O)CCCC2)C1 ZINC000878166374 590512491 /nfs/dbraw/zinc/51/24/91/590512491.db2.gz STAQXXHBWUMAIY-NWDGAFQWSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@]1(O)CCN(C[C@H](O)CC2(O)CCCC2)C1 ZINC000878165925 590512682 /nfs/dbraw/zinc/51/26/82/590512682.db2.gz HSROTJDBSVAEIO-NEPJUHHUSA-N 0 3 243.347 0.499 20 0 BCADHN CO[C@@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC000878166203 590513158 /nfs/dbraw/zinc/51/31/58/590513158.db2.gz OILHKSBZUDJCLV-NXEZZACHSA-N 0 3 222.292 0.486 20 0 BCADHN CO[C@@H]1CCN(CCc2cncn2C)C1 ZINC000878165858 590513237 /nfs/dbraw/zinc/51/32/37/590513237.db2.gz GEUAAHHUCYPLHX-LLVKDONJSA-N 0 3 209.293 0.683 20 0 BCADHN Cn1nnnc1CCN1CCSC(C)(C)C1 ZINC000878178936 590517172 /nfs/dbraw/zinc/51/71/72/590517172.db2.gz KWMMMACNRCSENH-UHFFFAOYSA-N 0 3 241.364 0.580 20 0 BCADHN CC(C)CO[C@H]1CCN(CCn2cnnn2)C1 ZINC000878191638 590520363 /nfs/dbraw/zinc/52/03/63/590520363.db2.gz PRVGLQKOVLPTNY-NSHDSACASA-N 0 3 239.323 0.420 20 0 BCADHN Cn1nnnc1CCN1CCC(C(F)F)CC1 ZINC000878197094 590522711 /nfs/dbraw/zinc/52/27/11/590522711.db2.gz DYPUUYBPAIYHEK-UHFFFAOYSA-N 0 3 245.277 0.730 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)C ZINC000878197399 590523354 /nfs/dbraw/zinc/52/33/54/590523354.db2.gz HGAWMHPIYNSEKJ-FIQHERPVSA-N 0 3 240.347 0.868 20 0 BCADHN CC(C)(C)N(CC(N)=O)C[C@@H](O)CC(C)(C)O ZINC000878201989 590524114 /nfs/dbraw/zinc/52/41/14/590524114.db2.gz JEAONLDJTCMHEY-VIFPVBQESA-N 0 3 246.351 0.094 20 0 BCADHN O=C(COC1CC1)NCCN1CCCCC1 ZINC000878235862 590527684 /nfs/dbraw/zinc/52/76/84/590527684.db2.gz VYYFKNVZLJYDFK-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN c1nnnn1CCN1CCCSCC1 ZINC000878314432 590541168 /nfs/dbraw/zinc/54/11/68/590541168.db2.gz VGRXBYGSOTUPMG-UHFFFAOYSA-N 0 3 213.310 0.112 20 0 BCADHN c1c[nH]c([C@@H]2CCCN(CCn3cnnn3)C2)n1 ZINC000878252288 590529917 /nfs/dbraw/zinc/52/99/17/590529917.db2.gz HNFOYVBJVCWKTJ-SNVBAGLBSA-N 0 3 247.306 0.276 20 0 BCADHN CCN(C#N)CCNC(C)(C)CC(=O)OC ZINC000878271260 590532319 /nfs/dbraw/zinc/53/23/19/590532319.db2.gz LDWLNLPTPONXGU-UHFFFAOYSA-N 0 3 227.308 0.721 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN(CCCC2CC2)C1 ZINC000878290114 590535358 /nfs/dbraw/zinc/53/53/58/590535358.db2.gz MAYDPGZPOIIOCA-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN C=C/C=C\CCN1CC[C@@H](S(=O)(=O)NC)C1 ZINC000878289606 590535653 /nfs/dbraw/zinc/53/56/53/590535653.db2.gz DLEKMAUWZWURKJ-DOGVGXBMSA-N 0 3 244.360 0.742 20 0 BCADHN C=C/C=C\CCN1CC[C@H](S(N)(=O)=O)C1 ZINC000878301056 590538982 /nfs/dbraw/zinc/53/89/82/590538982.db2.gz RITHMSYSAHBGBR-XOULXFPDSA-N 0 3 230.333 0.482 20 0 BCADHN C[C@@H](c1ccncc1)N(C)CCc1nnnn1C ZINC000878313894 590540982 /nfs/dbraw/zinc/54/09/82/590540982.db2.gz MGSBLNPBXJJPBF-JTQLQIEISA-N 0 3 246.318 0.841 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCNC(=O)C[C@@H]2C)C1 ZINC000878316538 590543074 /nfs/dbraw/zinc/54/30/74/590543074.db2.gz IASCKJNYKCAGQX-GARJFASQSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1CN(CCc2cncn2C)CCN1C ZINC000878316435 590543307 /nfs/dbraw/zinc/54/33/07/590543307.db2.gz JAEYDSZDMLVSLQ-NSHDSACASA-N 0 3 222.336 0.599 20 0 BCADHN CC(C)[C@@H](O)CCN1CCSC[C@H]1CO ZINC000878327659 590547103 /nfs/dbraw/zinc/54/71/03/590547103.db2.gz PAWLLVLFYKBYSV-MNOVXSKESA-N 0 3 233.377 0.803 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@@H](C)[C@@H](O)C1 ZINC000878335946 590549653 /nfs/dbraw/zinc/54/96/53/590549653.db2.gz SDULVDZERPAIST-VWYCJHECSA-N 0 3 217.309 0.085 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC2(O)CCCC2)C[C@@H]1O ZINC000878335358 590550034 /nfs/dbraw/zinc/55/00/34/590550034.db2.gz LRVUCMJZOGOCCN-UTUOFQBUSA-N 0 3 243.347 0.355 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCN(C)[C@@H](C)[C@H]1C ZINC000878339873 590551128 /nfs/dbraw/zinc/55/11/28/590551128.db2.gz MFWWHKSNAHSBHR-XQQFMLRXSA-N 0 3 244.379 0.797 20 0 BCADHN CCOCCN(C)C[C@@H](O)CC(C)(C)O ZINC000878341282 590551892 /nfs/dbraw/zinc/55/18/92/590551892.db2.gz VBRICFYWAVWZPO-JTQLQIEISA-N 0 3 219.325 0.477 20 0 BCADHN C[C@H](NCCn1cnnn1)c1cncc(F)c1 ZINC000878403820 590560739 /nfs/dbraw/zinc/56/07/39/590560739.db2.gz SWZKKPBKISIXNV-QMMMGPOBSA-N 0 3 236.254 0.558 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCN3CCOC[C@H]3C2)C1 ZINC000878430018 590565856 /nfs/dbraw/zinc/56/58/56/590565856.db2.gz UPUJAENVOSUYGB-UPJWGTAASA-N 0 3 240.347 0.428 20 0 BCADHN CC(C)[C@H](O)CCN1CCN(CCO)[C@H](C)C1 ZINC000878464682 590572036 /nfs/dbraw/zinc/57/20/36/590572036.db2.gz FEWUVOBUGUVXCG-CHWSQXEVSA-N 0 3 244.379 0.392 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC(C)(C)O)CC[C@H]1O ZINC000878464017 590572074 /nfs/dbraw/zinc/57/20/74/590572074.db2.gz NJKMLDKYQAUKDU-GMTAPVOTSA-N 0 3 231.336 0.211 20 0 BCADHN CC(C)[C@H](O)CCN1CCN(CCO)[C@@H](C)C1 ZINC000878464684 590572310 /nfs/dbraw/zinc/57/23/10/590572310.db2.gz FEWUVOBUGUVXCG-QWHCGFSZSA-N 0 3 244.379 0.392 20 0 BCADHN CO[C@H]1C[C@@H](CN2CC[C@H](C)C[C@@H]2C(N)=O)C1 ZINC000878466738 590573025 /nfs/dbraw/zinc/57/30/25/590573025.db2.gz OOMWWSNFLQESTA-NNYUYHANSA-N 0 3 240.347 0.997 20 0 BCADHN CN(C[C@H](O)CC(C)(C)O)CC1(CO)CC1 ZINC000878482819 590577128 /nfs/dbraw/zinc/57/71/28/590577128.db2.gz ZGQBCOQWQLCJNH-SNVBAGLBSA-N 0 3 231.336 0.213 20 0 BCADHN Cn1cncc1CCN1C[C@@H]2C[C@]2(CO)C1 ZINC000878482614 590577546 /nfs/dbraw/zinc/57/75/46/590577546.db2.gz VFYYBNWLTRQFPF-CMPLNLGQSA-N 0 3 221.304 0.277 20 0 BCADHN CO[C@@H]1CN(CCc2nnnn2C)CC[C@@H]1C ZINC000878484001 590577597 /nfs/dbraw/zinc/57/75/97/590577597.db2.gz SYWRPNKGQRHTNU-VHSXEESVSA-N 0 3 239.323 0.109 20 0 BCADHN Cn1nnnc1CCN1CCC12CCOCC2 ZINC000878516675 590584791 /nfs/dbraw/zinc/58/47/91/590584791.db2.gz FATIYXKSUSWUDG-UHFFFAOYSA-N 0 3 237.307 0.008 20 0 BCADHN CO[C@@]1(C)CCCN(CCn2cnnn2)C1 ZINC000878533465 590587861 /nfs/dbraw/zinc/58/78/61/590587861.db2.gz PAPOEKZLTSXTNQ-JTQLQIEISA-N 0 3 225.296 0.174 20 0 BCADHN C[C@H]1[C@@H](C(F)(F)F)CCN1CCn1cnnn1 ZINC000878535439 590588548 /nfs/dbraw/zinc/58/85/48/590588548.db2.gz ZNJWCWDDYFFXAB-YUMQZZPRSA-N 0 3 249.240 0.946 20 0 BCADHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCn1cnnn1 ZINC000878535438 590588580 /nfs/dbraw/zinc/58/85/80/590588580.db2.gz ZNJWCWDDYFFXAB-SFYZADRCSA-N 0 3 249.240 0.946 20 0 BCADHN CO[C@@H]1CCN(CCn2cnnn2)[C@H](C)C1 ZINC000878555043 590591094 /nfs/dbraw/zinc/59/10/94/590591094.db2.gz PAYYVCHOTJWFAG-NXEZZACHSA-N 0 3 225.296 0.172 20 0 BCADHN CO[C@@H]1CCN(CCc2nnnn2C)[C@H](C)C1 ZINC000878554743 590591493 /nfs/dbraw/zinc/59/14/93/590591493.db2.gz JDFSCHUKOJTNCR-NXEZZACHSA-N 0 3 239.323 0.252 20 0 BCADHN CC[C@H]1CN(CCn2cnnn2)CCCO1 ZINC000878553580 590591702 /nfs/dbraw/zinc/59/17/02/590591702.db2.gz OVKBLDKERROTHC-JTQLQIEISA-N 0 3 225.296 0.174 20 0 BCADHN CCN(C[C@H]1C[C@@H](OC)C1)[C@H]1CCNC1=O ZINC000878556866 590592358 /nfs/dbraw/zinc/59/23/58/590592358.db2.gz VUGBKZGCGGKQGX-AXFHLTTASA-N 0 3 226.320 0.622 20 0 BCADHN CN(CCc1ccc(C(N)=O)cc1)C1(CO)CC1 ZINC000878610205 590596022 /nfs/dbraw/zinc/59/60/22/590596022.db2.gz UZCZTXZLOKXRPI-UHFFFAOYSA-N 0 3 248.326 0.785 20 0 BCADHN CN(CCC(N)=O)C[C@@H]1CCC2(CCC2)O1 ZINC000878612596 590596059 /nfs/dbraw/zinc/59/60/59/590596059.db2.gz RKYPLBHRXSMPKV-JTQLQIEISA-N 0 3 226.320 0.895 20 0 BCADHN CN(CCC(N)=O)C[C@@H]1CCC(C)(C)CO1 ZINC000878612621 590596177 /nfs/dbraw/zinc/59/61/77/590596177.db2.gz SQQWHUNKPJVBMT-JTQLQIEISA-N 0 3 228.336 0.999 20 0 BCADHN CO[C@H](C)CN(C)C[C@H](O)CC(C)(C)O ZINC000878613820 590596468 /nfs/dbraw/zinc/59/64/68/590596468.db2.gz XLZOSUQTPUWDDO-NXEZZACHSA-N 0 3 219.325 0.475 20 0 BCADHN CCCN(CC(N)=O)C[C@H]1C[C@@H](OC)C1 ZINC000878647768 590601352 /nfs/dbraw/zinc/60/13/52/590601352.db2.gz PMGZQJKUIVJMET-AOOOYVTPSA-N 0 3 214.309 0.609 20 0 BCADHN Cn1cncc1CCN1CC[C@](O)(C(F)F)C1 ZINC000878669505 590606573 /nfs/dbraw/zinc/60/65/73/590606573.db2.gz FMDKROQKTRRXNT-LLVKDONJSA-N 0 3 245.273 0.665 20 0 BCADHN CO[C@@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000878679057 590608728 /nfs/dbraw/zinc/60/87/28/590608728.db2.gz RDEBLOUOWSUMEP-VHSXEESVSA-N 0 3 225.296 0.030 20 0 BCADHN CC[C@H](C)N1CCN(CCn2cnnn2)CC1 ZINC000878683581 590609271 /nfs/dbraw/zinc/60/92/71/590609271.db2.gz BRGLLDUQLCJNED-NSHDSACASA-N 0 3 238.339 0.089 20 0 BCADHN CCn1cc([C@H](C)NCCn2cnnn2)cn1 ZINC000878686233 590609669 /nfs/dbraw/zinc/60/96/69/590609669.db2.gz VVCCQIXZJLSYAS-VIFPVBQESA-N 0 3 235.295 0.240 20 0 BCADHN CON1CCC(N(C)Cc2ccnn2C)CC1 ZINC000878697339 590611160 /nfs/dbraw/zinc/61/11/60/590611160.db2.gz HGNYYEMDKBGINX-UHFFFAOYSA-N 0 3 238.335 0.878 20 0 BCADHN C=C/C=C\CCN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000878695243 590611166 /nfs/dbraw/zinc/61/11/66/590611166.db2.gz GQCHVMJJMJWXJW-WGPFEIJOSA-N 0 3 236.315 0.708 20 0 BCADHN OCC1(N(CCn2cnnn2)C2CC2)CCC1 ZINC000878699876 590612014 /nfs/dbraw/zinc/61/20/14/590612014.db2.gz KGMAXECQZYEVPH-UHFFFAOYSA-N 0 3 237.307 0.053 20 0 BCADHN CC(C)[C@@H](O)CCN[C@@H](CO)c1ccnn1C ZINC000878703740 590612441 /nfs/dbraw/zinc/61/24/41/590612441.db2.gz ZHVIJUCRYWLGMP-JQWIXIFHSA-N 0 3 241.335 0.450 20 0 BCADHN CC(C)[C@@H](O)CCN[C@H](CO)c1ccnn1C ZINC000878703741 590612516 /nfs/dbraw/zinc/61/25/16/590612516.db2.gz ZHVIJUCRYWLGMP-PWSUYJOCSA-N 0 3 241.335 0.450 20 0 BCADHN CCOC[C@H]1CCCCN1CCn1cnnn1 ZINC000878704216 590612541 /nfs/dbraw/zinc/61/25/41/590612541.db2.gz XZKSDGGZFHEENR-LLVKDONJSA-N 0 3 239.323 0.564 20 0 BCADHN CC(C)(O)C[C@H](O)CN1C[C@@H]2C[C@H]1CS2 ZINC000878705723 590612908 /nfs/dbraw/zinc/61/29/08/590612908.db2.gz GLIQJXBYVQOGRH-GUBZILKMSA-N 0 3 231.361 0.698 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@@H]1CC2(CCC2)CO1 ZINC000878707013 590612934 /nfs/dbraw/zinc/61/29/34/590612934.db2.gz ONMJFWZFJQECES-SDDRHHMPSA-N 0 3 241.331 0.949 20 0 BCADHN C[C@H]1C[C@@H](CO)CN(Cc2cnc[nH]2)C1 ZINC000878720660 590616158 /nfs/dbraw/zinc/61/61/58/590616158.db2.gz QRGQUYDXHYSIFC-VHSXEESVSA-N 0 3 209.293 0.860 20 0 BCADHN CN(CCN1CCCC1)C(=O)COC1CC1 ZINC000878722393 590616446 /nfs/dbraw/zinc/61/64/46/590616446.db2.gz GBVOLGSVUMNLJB-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN CC1(C(N)=O)CN(C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878757479 590618679 /nfs/dbraw/zinc/61/86/79/590618679.db2.gz NBVFXVJTDXKHRC-JTQLQIEISA-N 0 3 238.331 0.753 20 0 BCADHN C=C/C=C\CCN1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000878770442 590619661 /nfs/dbraw/zinc/61/96/61/590619661.db2.gz PFPFBRVUXGWPOT-XLMCQVRKSA-N 0 3 239.315 0.975 20 0 BCADHN O=C1C[C@@H](CN2CCC=C(Cl)C2)CN1 ZINC000878790462 590622395 /nfs/dbraw/zinc/62/23/95/590622395.db2.gz MMEOGUHCAYEGPU-MRVPVSSYSA-N 0 3 214.696 0.951 20 0 BCADHN c1nnnn1CCN1CCC12CCCC2 ZINC000878801566 590624847 /nfs/dbraw/zinc/62/48/47/590624847.db2.gz LOFDGWJSJYIGIV-UHFFFAOYSA-N 0 3 207.281 0.692 20 0 BCADHN C=C/C=C\CCN[C@]1(C(N)=O)CCOC1 ZINC000878847727 590633130 /nfs/dbraw/zinc/63/31/30/590633130.db2.gz VWSMUKFYLPXIHP-DLRQAJBASA-N 0 3 210.277 0.353 20 0 BCADHN NC(=O)[C@]1(NCCCC2CC2)CCOC1 ZINC000878847509 590633435 /nfs/dbraw/zinc/63/34/35/590633435.db2.gz SXJDFFQSWZQWGI-NSHDSACASA-N 0 3 212.293 0.411 20 0 BCADHN FCC[C@@H]1CCCN(CCn2cnnn2)C1 ZINC000878948953 590657895 /nfs/dbraw/zinc/65/78/95/590657895.db2.gz HWSXPAMDJZUHRN-JTQLQIEISA-N 0 3 227.287 0.745 20 0 BCADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)COC1CC1 ZINC000878947756 590658545 /nfs/dbraw/zinc/65/85/45/590658545.db2.gz STOIUCKMGRHEEF-JQWIXIFHSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)[C@@H](O)CCN1CCN(C)C[C@H]1CO ZINC000879001098 590674677 /nfs/dbraw/zinc/67/46/77/590674677.db2.gz PHAVNMDAILXPIP-RYUDHWBXSA-N 0 3 230.352 0.002 20 0 BCADHN CC(C)(O)CCN1CCC([C@H](F)C(N)=O)CC1 ZINC000879042033 590685059 /nfs/dbraw/zinc/68/50/59/590685059.db2.gz VCQVOJSFDXBPNL-JTQLQIEISA-N 0 3 246.326 0.683 20 0 BCADHN CSCCN1CCC([C@H](F)C(N)=O)CC1 ZINC000879042730 590685549 /nfs/dbraw/zinc/68/55/49/590685549.db2.gz VCVIPBGEJGODFW-VIFPVBQESA-N 0 3 234.340 0.885 20 0 BCADHN CO[C@@H](C)CN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044144 590685892 /nfs/dbraw/zinc/68/58/92/590685892.db2.gz PWSMTGSYGGBBPQ-WCBMZHEXSA-N 0 3 232.299 0.557 20 0 BCADHN NC(=O)[C@@H](F)C1CCN(C[C@H](O)C2CC2)CC1 ZINC000879043127 590686087 /nfs/dbraw/zinc/68/60/87/590686087.db2.gz FESLPRNCZSYOBF-QWRGUYRKSA-N 0 3 244.310 0.293 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000879064195 590690442 /nfs/dbraw/zinc/69/04/42/590690442.db2.gz YUTNHYDAXKEYCT-SDDRHHMPSA-N 0 3 240.347 0.822 20 0 BCADHN CN(CC1OCCO1)[C@@H]1CCCC[C@H]1O ZINC000879142521 590702090 /nfs/dbraw/zinc/70/20/90/590702090.db2.gz VKLJDMVRJSXQCL-NXEZZACHSA-N 0 3 215.293 0.595 20 0 BCADHN CCN(CCC(=O)OC)CC(OC)OC ZINC000127541883 590703123 /nfs/dbraw/zinc/70/31/23/590703123.db2.gz NDQUAOVSGLSMJO-UHFFFAOYSA-N 0 3 219.281 0.490 20 0 BCADHN CCOC(=O)[C@@H]1CCCN(CC(OC)OC)C1 ZINC000127540197 590703608 /nfs/dbraw/zinc/70/36/08/590703608.db2.gz AXKGHYHVKRHEMI-SNVBAGLBSA-N 0 3 245.319 0.880 20 0 BCADHN COC[C@@](C)(CO)NCCOC(F)F ZINC000879161853 590705957 /nfs/dbraw/zinc/70/59/57/590705957.db2.gz DXZYRBAFJZJEDW-MRVPVSSYSA-N 0 3 213.224 0.213 20 0 BCADHN COC[C@](C)(CO)NC[C@@H]1CC2(CC2)C(=O)O1 ZINC000879163190 590706372 /nfs/dbraw/zinc/70/63/72/590706372.db2.gz RTFJLONSPQAHDM-ONGXEEELSA-N 0 3 243.303 0.069 20 0 BCADHN CN(C(=O)COC1CC1)[C@H]1CCN(C2CC2)C1 ZINC000879168241 590707756 /nfs/dbraw/zinc/70/77/56/590707756.db2.gz HSVPWRFLPOSSND-NSHDSACASA-N 0 3 238.331 0.861 20 0 BCADHN FCCC1CCN(CCn2cnnn2)CC1 ZINC000879210390 590716409 /nfs/dbraw/zinc/71/64/09/590716409.db2.gz AGRGBICHNPKOGH-UHFFFAOYSA-N 0 3 227.287 0.745 20 0 BCADHN COCCN1CCc2c(CC(N)=O)cccc2C1 ZINC000879228028 590718225 /nfs/dbraw/zinc/71/82/25/590718225.db2.gz 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O=c1[nH]c2ccc(CNC3(CO)CC3)cc2[nH]1 ZINC000883074664 591535304 /nfs/dbraw/zinc/53/53/04/591535304.db2.gz FTTLDZFJLMLBLP-UHFFFAOYSA-N 0 3 233.271 0.883 20 0 BCADHN CCNC(=O)CN[C@H](COC)[C@@H]1CCCOC1 ZINC000883166587 591558643 /nfs/dbraw/zinc/55/86/43/591558643.db2.gz DKLWKAOTQJDJMG-GHMZBOCLSA-N 0 3 244.335 0.154 20 0 BCADHN CON(C)CCNCc1cn(C)nc1C ZINC000883172019 591560583 /nfs/dbraw/zinc/56/05/83/591560583.db2.gz QQWMOBAJPZSPTD-UHFFFAOYSA-N 0 3 212.297 0.311 20 0 BCADHN O[C@@H](CNCC1(O)CCC1)C(F)(F)F ZINC000131193027 591566757 /nfs/dbraw/zinc/56/67/57/591566757.db2.gz ZATDHXFDASBFTD-LURJTMIESA-N 0 3 213.199 0.414 20 0 BCADHN CCc1nnc(SCCN(CC)CC)n1N ZINC000131200581 591568503 /nfs/dbraw/zinc/56/85/03/591568503.db2.gz CGXOVGQNGXYVDD-UHFFFAOYSA-N 0 3 243.380 0.988 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1cccc(Cl)c1N ZINC000883196193 591568976 /nfs/dbraw/zinc/56/89/76/591568976.db2.gz LCIAKQGTHAHPIE-XCBNKYQSSA-N 0 3 244.722 0.754 20 0 BCADHN Nc1cnccc1CNC[C@H]1C[C@H](O)C1 ZINC000883203464 591571735 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20 0 BCADHN COC(=O)N[C@H]1CCN(CCn2ccnc2)C1 ZINC000886856264 592370156 /nfs/dbraw/zinc/37/01/56/592370156.db2.gz MHBIHBNRUYDOGD-JTQLQIEISA-N 0 3 238.291 0.313 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](CO)C1 ZINC000886893632 592389114 /nfs/dbraw/zinc/38/91/14/592389114.db2.gz DRRLGHWKTOBPBC-BJDJZHNGSA-N 0 3 240.347 0.746 20 0 BCADHN CCS(=O)(=O)CCNC1CC(OC)C1 ZINC000221066535 592392796 /nfs/dbraw/zinc/39/27/96/592392796.db2.gz KIOBXSAFIFFYBM-UHFFFAOYSA-N 0 3 221.322 0.188 20 0 BCADHN COC[C@@H](NCc1c[nH]cn1)[C@H]1CCCOC1 ZINC000886915831 592395714 /nfs/dbraw/zinc/39/57/14/592395714.db2.gz KQZRLEQNRUASHC-CMPLNLGQSA-N 0 3 239.319 0.941 20 0 BCADHN COC[C@@H](NCc1cnc[nH]1)[C@H]1CCCOC1 ZINC000886915831 592395720 /nfs/dbraw/zinc/39/57/20/592395720.db2.gz KQZRLEQNRUASHC-CMPLNLGQSA-N 0 3 239.319 0.941 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1CC[C@@H]1CCOC1=O ZINC000887031567 592424364 /nfs/dbraw/zinc/42/43/64/592424364.db2.gz ZTVZJQDXEKMCAA-GMTAPVOTSA-N 0 3 227.304 0.785 20 0 BCADHN CC[C@H](C)[C@H](NC[C@H](COC)OC)C(N)=O ZINC000887056005 592432393 /nfs/dbraw/zinc/43/23/93/592432393.db2.gz WEHBJFJPNTWJLS-AEJSXWLSSA-N 0 3 232.324 0.137 20 0 BCADHN COC(=O)CN1CCN(c2ccncc2)C[C@@H]1C ZINC000887131337 592449581 /nfs/dbraw/zinc/44/95/81/592449581.db2.gz VXEJSTGVGODOMM-NSHDSACASA-N 0 3 249.314 0.765 20 0 BCADHN CN(CCCF)C[C@@H](O)COC[C@H]1CCCO1 ZINC000887136587 592450861 /nfs/dbraw/zinc/45/08/61/592450861.db2.gz XDVUUQYVQIAKLX-VXGBXAGGSA-N 0 3 249.326 0.834 20 0 BCADHN C[C@H]1NC(=O)N(CCN(C)CCCF)C1=O ZINC000887142747 592459128 /nfs/dbraw/zinc/45/91/28/592459128.db2.gz YJJGJTUOFQBISD-MRVPVSSYSA-N 0 3 231.271 0.218 20 0 BCADHN CO[C@@H]1CCN(Cc2ccc(N)nc2)C1 ZINC000300041336 592501468 /nfs/dbraw/zinc/50/14/68/592501468.db2.gz LCEHHTAETDFOFE-SNVBAGLBSA-N 0 3 207.277 0.885 20 0 BCADHN COC(=O)/C(C)=C/CN(C)CCCO ZINC000300870676 592522871 /nfs/dbraw/zinc/52/28/71/592522871.db2.gz XDSTZSVFFLUJGA-WEVVVXLNSA-N 0 3 201.266 0.420 20 0 BCADHN COCC[C@H](CO)NCc1cc(C)nn1C ZINC000300893416 592524319 /nfs/dbraw/zinc/52/43/19/592524319.db2.gz QAOUDLZYFVIVGT-SNVBAGLBSA-N 0 3 227.308 0.216 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1CCOC[C@H]1C ZINC000300911811 592524773 /nfs/dbraw/zinc/52/47/73/592524773.db2.gz YBBRAPWZWPXBGG-ZJUUUORDSA-N 0 3 235.349 0.436 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@H](O)C(C)C)C1 ZINC000300930871 592525478 /nfs/dbraw/zinc/52/54/78/592525478.db2.gz VYBNRJRXDMSTNM-UWVGGRQHSA-N 0 3 230.308 0.434 20 0 BCADHN COCC1CCN(C(=O)[C@H](N)CC2CC2)CC1 ZINC000302673095 592550853 /nfs/dbraw/zinc/55/08/53/592550853.db2.gz MHPDJNNOTSPERD-GFCCVEGCSA-N 0 3 240.347 0.999 20 0 BCADHN CCn1cc(NC(=O)[C@@H](N)CC2CC2)ccc1=O ZINC000302686925 592552527 /nfs/dbraw/zinc/55/25/27/592552527.db2.gz RNCMXSXRHNOFEW-NSHDSACASA-N 0 3 249.314 0.934 20 0 BCADHN CN(CCO)CCNC(=O)Nc1ccsc1 ZINC000887878521 592556089 /nfs/dbraw/zinc/55/60/89/592556089.db2.gz HGXLOKXHMDXZSK-UHFFFAOYSA-N 0 3 243.332 0.794 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000887927308 592559902 /nfs/dbraw/zinc/55/99/02/592559902.db2.gz QPCGUJNNWWYPFV-OUAUKWLOSA-N 0 3 223.320 0.742 20 0 BCADHN CN1C[C@@H]2CN(C(=O)c3ccon3)C[C@]2(C)C1 ZINC000887935413 592560944 /nfs/dbraw/zinc/56/09/44/592560944.db2.gz WNHLFYVNPBRFTD-SKDRFNHKSA-N 0 3 235.287 0.698 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H]1C(=O)OC)N(C)C ZINC000888061072 592571307 /nfs/dbraw/zinc/57/13/07/592571307.db2.gz XVLDRCYQBCBGOJ-BDAKNGLRSA-N 0 3 228.292 0.101 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H]1CO)N1CCCCCC1 ZINC000889140177 592585179 /nfs/dbraw/zinc/58/51/79/592585179.db2.gz KMKCRUPEVAJAHI-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N1CC[C@@H]1CO ZINC000889165129 592586676 /nfs/dbraw/zinc/58/66/76/592586676.db2.gz SMRLFFZIFIWDFX-GHMZBOCLSA-N 0 3 226.320 0.452 20 0 BCADHN CCCN(C)CC(=O)NCc1nnc(C)[nH]1 ZINC000889705201 592650030 /nfs/dbraw/zinc/65/00/30/592650030.db2.gz ADHWELDBAAMXAC-UHFFFAOYSA-N 0 3 225.296 0.071 20 0 BCADHN O=C(CCF)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889744177 592653023 /nfs/dbraw/zinc/65/30/23/592653023.db2.gz KSMWUCHLBSHNSF-MNOVXSKESA-N 0 3 244.310 0.404 20 0 BCADHN CC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889779073 592654076 /nfs/dbraw/zinc/65/40/76/592654076.db2.gz CTFJEMHWQQSNAB-QWRGUYRKSA-N 0 3 212.293 0.064 20 0 BCADHN CCN(CC)CC(=O)NC1CC(CCO)C1 ZINC000889974497 592665798 /nfs/dbraw/zinc/66/57/98/592665798.db2.gz MAQJUJRIIBITAL-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN CO[C@@H](C)C(=O)NCCN1CCC(C)(C)C1 ZINC000890079302 592673282 /nfs/dbraw/zinc/67/32/82/592673282.db2.gz TVTQAMJHKGUOKS-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)(CO)C(=O)NCCN1CCC(C)(C)C1 ZINC000890072816 592675835 /nfs/dbraw/zinc/67/58/35/592675835.db2.gz YJLVQCNVBIBFEG-UHFFFAOYSA-N 0 3 242.363 0.853 20 0 BCADHN CN(C)C(=O)NCCN1CCC(C)(C)C1 ZINC000890075542 592676321 /nfs/dbraw/zinc/67/63/21/592676321.db2.gz IDIVBHNSEDEJDD-UHFFFAOYSA-N 0 3 213.325 0.990 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)N(C)CCN(C)C ZINC000890067836 592676571 /nfs/dbraw/zinc/67/65/71/592676571.db2.gz XGVAILIGCQJHDP-LLVKDONJSA-N 0 3 242.367 0.284 20 0 BCADHN COC(=O)CC(=O)NCCN1CCC(C)(C)C1 ZINC000890079585 592678363 /nfs/dbraw/zinc/67/83/63/592678363.db2.gz DTZXHYGTORKTBO-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN CC1(C)CCN(CCNC(=O)c2cn[nH]c2)C1 ZINC000890079304 592678455 /nfs/dbraw/zinc/67/84/55/592678455.db2.gz TZBZWCJWZAHUPG-UHFFFAOYSA-N 0 3 236.319 0.871 20 0 BCADHN COCCC(=O)NCCN1CCC(C)(C)C1 ZINC000890079514 592678484 /nfs/dbraw/zinc/67/84/84/592678484.db2.gz XFYDARZIKYNNFZ-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CC(C(=O)N1CC[C@@H]2CCC[C@@H]21)S(C)(=O)=O ZINC000890242939 592690683 /nfs/dbraw/zinc/69/06/83/592690683.db2.gz ANQNDUSUSZDWPJ-GUBZILKMSA-N 0 3 245.344 0.821 20 0 BCADHN CCCc1nc(Cn2cc([C@@H](C)N)nn2)no1 ZINC000124241097 592717099 /nfs/dbraw/zinc/71/70/99/592717099.db2.gz VEZVJZZMPAUOGM-SSDOTTSWSA-N 0 3 236.279 0.682 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)n1cc([C@@H](C)N)nn1 ZINC000124240796 592717144 /nfs/dbraw/zinc/71/71/44/592717144.db2.gz FDCYYCSXUQEZAD-YIZRAAEISA-N 0 3 239.323 0.774 20 0 BCADHN C[C@@H](N)c1cn(CC(=O)NC2CCCC2)nn1 ZINC000124317038 592717836 /nfs/dbraw/zinc/71/78/36/592717836.db2.gz MFYYVKYRFCZEFG-MRVPVSSYSA-N 0 3 237.307 0.357 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)n1cc([C@H](C)N)nn1 ZINC000124339068 592717932 /nfs/dbraw/zinc/71/79/32/592717932.db2.gz LSBHZKGFWCEDIF-DTWKUNHWSA-N 0 3 239.323 0.727 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1C[C@H](C)[C@H](CO)C1 ZINC000362095018 592726195 /nfs/dbraw/zinc/72/61/95/592726195.db2.gz JWHIGIPSQXYIBR-SRVKXCTJSA-N 0 3 242.363 0.804 20 0 BCADHN O=C([O-])CCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000738571270 597770335 /nfs/dbraw/zinc/77/03/35/597770335.db2.gz NKYYNBKGJKPYCM-NXEZZACHSA-N 0 3 212.293 0.393 20 0 BCADHN O[C@@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000095220624 598815125 /nfs/dbraw/zinc/81/51/25/598815125.db2.gz WGFAOMLKMUVOHI-LLVKDONJSA-N 0 3 245.286 0.433 20 0 BCADHN O[C@@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000095220624 598815126 /nfs/dbraw/zinc/81/51/26/598815126.db2.gz WGFAOMLKMUVOHI-LLVKDONJSA-N 0 3 245.286 0.433 20 0 BCADHN O[C@@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000095220624 598815127 /nfs/dbraw/zinc/81/51/27/598815127.db2.gz WGFAOMLKMUVOHI-LLVKDONJSA-N 0 3 245.286 0.433 20 0 BCADHN O[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000095220624 598815128 /nfs/dbraw/zinc/81/51/28/598815128.db2.gz WGFAOMLKMUVOHI-LLVKDONJSA-N 0 3 245.286 0.433 20 0 BCADHN O[C@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000095237578 598815084 /nfs/dbraw/zinc/81/50/84/598815084.db2.gz JCBJHVHHOBFWQS-JTQLQIEISA-N 0 3 245.286 0.433 20 0 BCADHN O[C@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000095237578 598815085 /nfs/dbraw/zinc/81/50/85/598815085.db2.gz JCBJHVHHOBFWQS-JTQLQIEISA-N 0 3 245.286 0.433 20 0 BCADHN O[C@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC000095237578 598815086 /nfs/dbraw/zinc/81/50/86/598815086.db2.gz JCBJHVHHOBFWQS-JTQLQIEISA-N 0 3 245.286 0.433 20 0 BCADHN O[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC000095237578 598815087 /nfs/dbraw/zinc/81/50/87/598815087.db2.gz JCBJHVHHOBFWQS-JTQLQIEISA-N 0 3 245.286 0.433 20 0 BCADHN O[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000095234336 598815344 /nfs/dbraw/zinc/81/53/44/598815344.db2.gz DECFFCOQXAGCSI-NSHDSACASA-N 0 3 245.286 0.433 20 0 BCADHN O[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000095234336 598815345 /nfs/dbraw/zinc/81/53/45/598815345.db2.gz DECFFCOQXAGCSI-NSHDSACASA-N 0 3 245.286 0.433 20 0 BCADHN O[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000095234336 598815346 /nfs/dbraw/zinc/81/53/46/598815346.db2.gz DECFFCOQXAGCSI-NSHDSACASA-N 0 3 245.286 0.433 20 0 BCADHN O[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000095234336 598815348 /nfs/dbraw/zinc/81/53/48/598815348.db2.gz DECFFCOQXAGCSI-NSHDSACASA-N 0 3 245.286 0.433 20 0 BCADHN C[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095245212 599457759 /nfs/dbraw/zinc/45/77/59/599457759.db2.gz JYMPMPJMVGWXMU-MRVPVSSYSA-N 0 3 233.275 0.337 20 0 BCADHN C[C@H](CO)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095245212 599457760 /nfs/dbraw/zinc/45/77/60/599457760.db2.gz JYMPMPJMVGWXMU-MRVPVSSYSA-N 0 3 233.275 0.337 20 0 BCADHN C[C@H](O)CN(C)C1CC[NH+](CCC(=O)[O-])CC1 ZINC000736677714 599922300 /nfs/dbraw/zinc/92/23/00/599922300.db2.gz OULRJCWJSPJJTA-JTQLQIEISA-N 0 3 244.335 0.238 20 0 BCADHN CCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)[O-])C1 ZINC000389972994 601040010 /nfs/dbraw/zinc/04/00/10/601040010.db2.gz CZAPSCSCDBDRQZ-UWVGGRQHSA-N 0 3 214.309 0.733 20 0 BCADHN CCN(C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)[O-])C1 ZINC000389972994 601040012 /nfs/dbraw/zinc/04/00/12/601040012.db2.gz CZAPSCSCDBDRQZ-UWVGGRQHSA-N 0 3 214.309 0.733 20 0 BCADHN CC[N@@H+]1CC[C@H](NCCNC(=O)[O-])[C@H](C)C1 ZINC000739458845 603070283 /nfs/dbraw/zinc/07/02/83/603070283.db2.gz YHYVIUAIZUXSQP-ZJUUUORDSA-N 0 3 229.324 0.574 20 0 BCADHN CC[N@H+]1CC[C@H](NCCNC(=O)[O-])[C@H](C)C1 ZINC000739458845 603070289 /nfs/dbraw/zinc/07/02/89/603070289.db2.gz YHYVIUAIZUXSQP-ZJUUUORDSA-N 0 3 229.324 0.574 20 0 BCADHN O=C([O-])N1CC[C@H](CN2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000740499059 603328193 /nfs/dbraw/zinc/32/81/93/603328193.db2.gz JORHFEULARRERL-VWYCJHECSA-N 0 3 239.319 0.138 20 0 BCADHN COCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000095316893 606616766 /nfs/dbraw/zinc/61/67/66/606616766.db2.gz XGYOBTYGTFZXOW-UHFFFAOYSA-N 0 3 233.275 0.603 20 0 BCADHN COCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000095316893 606616768 /nfs/dbraw/zinc/61/67/68/606616768.db2.gz XGYOBTYGTFZXOW-UHFFFAOYSA-N 0 3 233.275 0.603 20 0 BCADHN c1cc(C[NH2+][C@@H]2CCOC2)cc(-c2nnn[n-]2)c1 ZINC000095143879 606720837 /nfs/dbraw/zinc/72/08/37/606720837.db2.gz JBLXOWBTGYWFRS-LLVKDONJSA-N 0 3 245.286 0.745 20 0 BCADHN c1cc(C[NH2+][C@@H]2CCOC2)cc(-c2nn[n-]n2)c1 ZINC000095143879 606720839 /nfs/dbraw/zinc/72/08/39/606720839.db2.gz JBLXOWBTGYWFRS-LLVKDONJSA-N 0 3 245.286 0.745 20 0 BCADHN C[C@H](CO)[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824440602 607957175 /nfs/dbraw/zinc/95/71/75/607957175.db2.gz GXNYPUDGFKBEPZ-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](CO)[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824440602 607957176 /nfs/dbraw/zinc/95/71/76/607957176.db2.gz GXNYPUDGFKBEPZ-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](CO)[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824440602 607957177 /nfs/dbraw/zinc/95/71/77/607957177.db2.gz GXNYPUDGFKBEPZ-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](CO)[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824440602 607957178 /nfs/dbraw/zinc/95/71/78/607957178.db2.gz GXNYPUDGFKBEPZ-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN C[C@@H](CO)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC000824441458 607957448 /nfs/dbraw/zinc/95/74/48/607957448.db2.gz QPHKBTQHYNYRBY-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN C[C@@H](CO)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC000824441458 607957449 /nfs/dbraw/zinc/95/74/49/607957449.db2.gz QPHKBTQHYNYRBY-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN C[C@@H](CO)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC000824441458 607957450 /nfs/dbraw/zinc/95/74/50/607957450.db2.gz QPHKBTQHYNYRBY-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN C[C@@H](CO)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC000824441458 607957451 /nfs/dbraw/zinc/95/74/51/607957451.db2.gz QPHKBTQHYNYRBY-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN CCN1CCC[C@H](NC(=O)C2=COCCO2)C1 ZINC000194633044 634399816 /nfs/dbraw/zinc/39/98/16/634399816.db2.gz LLZKOCGHAYHLIA-JTQLQIEISA-N 0 3 240.303 0.475 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(CCO)CC1(C)C ZINC000974957649 634419174 /nfs/dbraw/zinc/41/91/74/634419174.db2.gz IMNCXROCPYWGGH-GARJFASQSA-N 0 3 240.347 0.461 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N[C@H]1CN(CCO)CC1(C)C ZINC000974957644 634419515 /nfs/dbraw/zinc/41/95/15/634419515.db2.gz IMNCXROCPYWGGH-DCAQKATOSA-N 0 3 240.347 0.461 20 0 BCADHN CCN1C[C@H](NC(=O)c2ccnnc2)C(C)(C)C1 ZINC000975076255 634435018 /nfs/dbraw/zinc/43/50/18/634435018.db2.gz PLMHBMSUZXLGNA-NSHDSACASA-N 0 3 248.330 0.937 20 0 BCADHN CC1(C)COC[C@H]1N[C@@H]1CCCS(=O)(=O)C1 ZINC000313098424 634451906 /nfs/dbraw/zinc/45/19/06/634451906.db2.gz WUOUFKSLIXGMJP-NXEZZACHSA-N 0 3 247.360 0.578 20 0 BCADHN COCC(COC)NC[C@H](O)c1ccccc1 ZINC000313580936 634492059 /nfs/dbraw/zinc/49/20/59/634492059.db2.gz FIJLNPKUJQPKPX-ZDUSSCGKSA-N 0 3 239.315 0.971 20 0 BCADHN c1ncc(CNC[C@H]2COCCO2)s1 ZINC000054788266 634551756 /nfs/dbraw/zinc/55/17/56/634551756.db2.gz PXVBSFPVTXDFTK-QMMMGPOBSA-N 0 3 214.290 0.648 20 0 BCADHN C[C@H](NC[C@@H](O)C1(O)CCC1)c1ccnn1C ZINC000931560041 634589255 /nfs/dbraw/zinc/58/92/55/634589255.db2.gz MCRZPRYTGZMSCA-GXSJLCMTSA-N 0 3 239.319 0.347 20 0 BCADHN CC[C@@H](CO)NCc1cc(=O)c(OC)co1 ZINC000931769098 635332498 /nfs/dbraw/zinc/33/24/98/635332498.db2.gz WBIQCGZYFKJJND-QMMMGPOBSA-N 0 3 227.260 0.509 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCc1csc(=O)[nH]1 ZINC000226684351 635436224 /nfs/dbraw/zinc/43/62/24/635436224.db2.gz FBERDFAJTJRDSY-MRVPVSSYSA-N 0 3 243.332 0.426 20 0 BCADHN Cn1nccc1CCNC[C@@H](O)C(F)(F)F ZINC000230779011 635492485 /nfs/dbraw/zinc/49/24/85/635492485.db2.gz QSTXZMDQWUOAMK-MRVPVSSYSA-N 0 3 237.225 0.475 20 0 BCADHN CCC[NH+]1CCC(N[C@@H](COC)C(=O)[O-])CC1 ZINC000233035101 635525150 /nfs/dbraw/zinc/52/51/50/635525150.db2.gz HVBOPRXYOATQBY-NSHDSACASA-N 0 3 244.335 0.550 20 0 BCADHN CCCS(=O)(=O)CCN[C@@]1(C)CCO[C@@H]1C ZINC000233255247 635529268 /nfs/dbraw/zinc/52/92/68/635529268.db2.gz AEVGNFJTSKKXDJ-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN CCN(CC)C(=O)C[C@H](C)N[C@@H]1CNOC1 ZINC000925866217 635568137 /nfs/dbraw/zinc/56/81/37/635568137.db2.gz UOYANCWPZPVXPB-VHSXEESVSA-N 0 3 229.324 0.126 20 0 BCADHN CCO[C@H]1C[C@H](N[C@@H]2CNOC2)C12CCC2 ZINC000925869248 635579528 /nfs/dbraw/zinc/57/95/28/635579528.db2.gz ZYSKDHDDIXHGSC-VWYCJHECSA-N 0 3 226.320 0.827 20 0 BCADHN COC[C@@H](O)CNc1cc(N)ncc1Cl ZINC000893723195 635625150 /nfs/dbraw/zinc/62/51/50/635625150.db2.gz BJYHPRDCXMQPCD-LURJTMIESA-N 0 3 231.683 0.736 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1NCCOC1CCC1 ZINC000925894663 635618909 /nfs/dbraw/zinc/61/89/09/635618909.db2.gz IDDMJNVUPCZBMR-JTQLQIEISA-N 0 3 226.320 0.670 20 0 BCADHN CC[C@@H](N)C(=O)N[C@](C)(C(=O)OC)C1CC1 ZINC000129365667 631216289 /nfs/dbraw/zinc/21/62/89/631216289.db2.gz MSDXHFPSIVUDAN-KCJUWKMLSA-N 0 3 228.292 0.182 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CCS(=O)(=O)[C@@H]2C)CO1 ZINC000401880648 631245795 /nfs/dbraw/zinc/24/57/95/631245795.db2.gz MBIXGGBWTKKVED-DOLQZWNJSA-N 0 3 233.333 0.329 20 0 BCADHN CN1CCCN(c2cnc(N)c(Cl)n2)CC1 ZINC000891437798 631254927 /nfs/dbraw/zinc/25/49/27/631254927.db2.gz AQESMPSTJSXGSM-UHFFFAOYSA-N 0 3 241.726 0.854 20 0 BCADHN CCNC(=O)CN[C@@H](C)COC(C)C ZINC000308620193 631344218 /nfs/dbraw/zinc/34/42/18/631344218.db2.gz STWQZJCJZQUVTC-VIFPVBQESA-N 0 3 202.298 0.526 20 0 BCADHN CS(=O)(=O)CCN[C@H]1CCC(F)(F)C1 ZINC000308490724 631400841 /nfs/dbraw/zinc/40/08/41/631400841.db2.gz BLMZZAMMUPXGLV-ZETCQYMHSA-N 0 3 227.276 0.808 20 0 BCADHN CCC[C@H](O)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000933485245 631388649 /nfs/dbraw/zinc/38/86/49/631388649.db2.gz DDFLJGFLGALVOK-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN COC(=O)CCCNC(=O)[C@H](N)CC1CC1 ZINC000083356067 631423630 /nfs/dbraw/zinc/42/36/30/631423630.db2.gz AOMSMNXFIVZERN-SECBINFHSA-N 0 3 228.292 0.183 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H](C)c1cnnn1C ZINC000926249579 631502223 /nfs/dbraw/zinc/50/22/23/631502223.db2.gz HTZVETFFMXYKJT-DJLDLDEBSA-N 0 3 212.297 0.889 20 0 BCADHN c1ccc(-c2noc(C[C@@H]3CNCCO3)n2)nc1 ZINC000091294790 631537981 /nfs/dbraw/zinc/53/79/81/631537981.db2.gz VVJRJQWYSKTKAF-SECBINFHSA-N 0 3 246.270 0.663 20 0 BCADHN c1ccc(-c2noc(C[C@H]3CNCCO3)n2)nc1 ZINC000091294793 631538553 /nfs/dbraw/zinc/53/85/53/631538553.db2.gz VVJRJQWYSKTKAF-VIFPVBQESA-N 0 3 246.270 0.663 20 0 BCADHN Cc1cc(N)nc(NCCCS(C)(=O)=O)n1 ZINC000891950128 631572096 /nfs/dbraw/zinc/57/20/96/631572096.db2.gz HAGJPNNSXSXTHJ-UHFFFAOYSA-N 0 3 244.320 0.214 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@@H](N)CC1CC1 ZINC000308812413 631574707 /nfs/dbraw/zinc/57/47/07/631574707.db2.gz HRNKLBGVFJPUMN-ZJUUUORDSA-N 0 3 214.309 0.391 20 0 BCADHN C[C@H](CO)CN1CCO[C@@H]2COCC[C@@H]21 ZINC000933965844 631575009 /nfs/dbraw/zinc/57/50/09/631575009.db2.gz DEMYVRNEZQTRIF-GARJFASQSA-N 0 3 215.293 0.105 20 0 BCADHN CCC(=O)CCN1CCN(C)CCN(C)CC1 ZINC000933992732 631579481 /nfs/dbraw/zinc/57/94/81/631579481.db2.gz PQJOPMGGMCUVKL-UHFFFAOYSA-N 0 3 241.379 0.535 20 0 BCADHN CCn1cc(CCN2CC[C@@H]2CO)cn1 ZINC000934014710 631586410 /nfs/dbraw/zinc/58/64/10/631586410.db2.gz NYJNASNLZMPVKB-LLVKDONJSA-N 0 3 209.293 0.512 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H](O)C1 ZINC000934026506 631605198 /nfs/dbraw/zinc/60/51/98/631605198.db2.gz NPDYMCOWQKFFQL-WDEREUQCSA-N 0 3 226.320 0.452 20 0 BCADHN O=C(CCN1CC[C@H]1CO)Nc1cccnc1 ZINC000934015104 631606426 /nfs/dbraw/zinc/60/64/26/631606426.db2.gz SLCAHCXBRLMNSL-NSHDSACASA-N 0 3 235.287 0.477 20 0 BCADHN OC[C@H]1CCN1C[C@H](O)CC1CCCC1 ZINC000934015312 631608080 /nfs/dbraw/zinc/60/80/80/631608080.db2.gz WIUBRUXIQSHXQZ-VXGBXAGGSA-N 0 3 213.321 0.994 20 0 BCADHN NC(=O)c1ccc(CCN2CC[C@@H]2CO)cc1 ZINC000934016478 631611351 /nfs/dbraw/zinc/61/13/51/631611351.db2.gz WFAUYWJOQHRLMA-GFCCVEGCSA-N 0 3 234.299 0.395 20 0 BCADHN CC1(C)OC[C@H](CN2CC[C@H]2CO)O1 ZINC000934020206 631620424 /nfs/dbraw/zinc/62/04/24/631620424.db2.gz YDHIKTASBBGSHJ-IUCAKERBSA-N 0 3 201.266 0.205 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CC[C@H](C(N)=O)C1)N(C)C ZINC000909404304 635668636 /nfs/dbraw/zinc/66/86/36/635668636.db2.gz ZZPPUVDJYOOVMG-AEJSXWLSSA-N 0 3 241.335 0.097 20 0 BCADHN CN(C)CC1(c2nc(N(C)C)no2)CC1 ZINC000923970805 635687774 /nfs/dbraw/zinc/68/77/74/635687774.db2.gz XEVYFXZASPLANV-UHFFFAOYSA-N 0 3 210.281 0.729 20 0 BCADHN CC[C@@H]1CCN(CC(=O)N2CCO[C@H](C)C2)C1 ZINC000176243753 631657896 /nfs/dbraw/zinc/65/78/96/631657896.db2.gz NMZBMRWXBQLGHS-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN COCC[C@@H](N)C(=O)NCC(C)(C)CCOC ZINC000234665788 631658854 /nfs/dbraw/zinc/65/88/54/631658854.db2.gz PHHZTGAVRZFQRN-SNVBAGLBSA-N 0 3 246.351 0.529 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@H]1CC1(C)C ZINC000234666227 631659396 /nfs/dbraw/zinc/65/93/96/631659396.db2.gz IAELQMKBBPXCED-BDAKNGLRSA-N 0 3 214.309 0.513 20 0 BCADHN CO[C@H]1CC[C@H]1N(C)CCn1ccccc1=O ZINC000934113647 631688837 /nfs/dbraw/zinc/68/88/37/631688837.db2.gz DGHSHCQHGCUCFK-NEPJUHHUSA-N 0 3 236.315 0.958 20 0 BCADHN O=C(OCCCO)C1CCCN(C2CC2)C1=O ZINC000924058401 631718294 /nfs/dbraw/zinc/71/82/94/631718294.db2.gz MZVWURKGMVQLTE-JTQLQIEISA-N 0 3 241.287 0.313 20 0 BCADHN C[C@H](NCCC(=O)NC(N)=O)c1cncs1 ZINC000934198580 631728128 /nfs/dbraw/zinc/72/81/28/631728128.db2.gz NSIWVKYRDRISTO-LURJTMIESA-N 0 3 242.304 0.379 20 0 BCADHN O[C@@H](CCNCc1c[nH]cn1)C(F)(F)F ZINC000308939662 631744337 /nfs/dbraw/zinc/74/43/37/631744337.db2.gz PMZSINBGMWUEES-ZETCQYMHSA-N 0 3 223.198 0.813 20 0 BCADHN COCC[C@H](N)C(=O)N[C@H]1CCS[C@@H]1C ZINC000308930543 631746094 /nfs/dbraw/zinc/74/60/94/631746094.db2.gz LYPSYLQAKRKTPE-VGMNWLOBSA-N 0 3 232.349 0.360 20 0 BCADHN OCc1ccc(CN[C@@H](CO)C2CC2)o1 ZINC000308947245 631746716 /nfs/dbraw/zinc/74/67/16/631746716.db2.gz SRLQEJQDCBTXCH-NSHDSACASA-N 0 3 211.261 0.632 20 0 BCADHN CC(C)[C@H](CO)CNCc1cn(C)cn1 ZINC000308975227 631770126 /nfs/dbraw/zinc/77/01/26/631770126.db2.gz GLUNJXUECQCDTG-JTQLQIEISA-N 0 3 211.309 0.774 20 0 BCADHN CNC(=O)CCNCc1ccc(F)nc1 ZINC000308970601 631774279 /nfs/dbraw/zinc/77/42/79/631774279.db2.gz ZDKLRLIZBFWKLA-UHFFFAOYSA-N 0 3 211.240 0.446 20 0 BCADHN CS(=O)(=O)CCN1CC[C@@H]2CCC[C@@H]21 ZINC000934338942 631789731 /nfs/dbraw/zinc/78/97/31/631789731.db2.gz CZEOOSBJUVQXSS-UWVGGRQHSA-N 0 3 217.334 0.905 20 0 BCADHN CCOCCCNC(=O)[C@@H](N)CC1CC1 ZINC000308826852 631870133 /nfs/dbraw/zinc/87/01/33/631870133.db2.gz KZUNKLYKVIFQDM-JTQLQIEISA-N 0 3 214.309 0.657 20 0 BCADHN CN(C)C[C@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000924429286 631900139 /nfs/dbraw/zinc/90/01/39/631900139.db2.gz NUTGKWMCLQHSQX-SECBINFHSA-N 0 3 237.259 0.262 20 0 BCADHN CCC[C@@H](C)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924431660 631917314 /nfs/dbraw/zinc/91/73/14/631917314.db2.gz CTJKZRPATPIEHW-RKDXNWHRSA-N 0 3 227.308 0.657 20 0 BCADHN O[C@@H]1CCN(CC2CCOCC2)C[C@@H]1F ZINC000934570457 631941869 /nfs/dbraw/zinc/94/18/69/631941869.db2.gz KJSMOVGIKNFBQI-WDEREUQCSA-N 0 3 217.284 0.818 20 0 BCADHN O[C@@H]1CCN(CC2CCOCC2)C[C@H]1F ZINC000934570454 631942377 /nfs/dbraw/zinc/94/23/77/631942377.db2.gz KJSMOVGIKNFBQI-GHMZBOCLSA-N 0 3 217.284 0.818 20 0 BCADHN O[C@H]1CCN(CC2CCOCC2)C[C@H]1F ZINC000934570455 631943069 /nfs/dbraw/zinc/94/30/69/631943069.db2.gz KJSMOVGIKNFBQI-MNOVXSKESA-N 0 3 217.284 0.818 20 0 BCADHN CCCN(CCC1OCCCO1)CC(N)=O ZINC000309275880 631982105 /nfs/dbraw/zinc/98/21/05/631982105.db2.gz DTTZARUTGGWFQA-UHFFFAOYSA-N 0 3 230.308 0.337 20 0 BCADHN CC[C@@H]1CN(c2cc(C)nc(N)n2)C[C@H]1O ZINC000309283282 631994050 /nfs/dbraw/zinc/99/40/50/631994050.db2.gz NWAIQRKRSLVKLA-RKDXNWHRSA-N 0 3 222.292 0.574 20 0 BCADHN CN(C(=O)[C@@H](N)CC1CC1)[C@@H]1CCOC1 ZINC000308866646 632002355 /nfs/dbraw/zinc/00/23/55/632002355.db2.gz QZBUXUQIFZLDDK-ZJUUUORDSA-N 0 3 212.293 0.361 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCc1ncc[nH]1 ZINC000308867673 632012649 /nfs/dbraw/zinc/01/26/49/632012649.db2.gz RFRXRZWSPQHTSA-QMMMGPOBSA-N 0 3 208.265 0.153 20 0 BCADHN C(CN1CCN(C2CC2)CC1)C1OCCCO1 ZINC000091465569 632017578 /nfs/dbraw/zinc/01/75/78/632017578.db2.gz BVPPBXPTHUUASL-UHFFFAOYSA-N 0 3 240.347 0.920 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H](O)CC(C)C ZINC000161463021 632040616 /nfs/dbraw/zinc/04/06/16/632040616.db2.gz IUCFUEWTQZFTFR-BDAKNGLRSA-N 0 3 202.298 0.247 20 0 BCADHN COC(CN(C)C[C@H](O)C1CC1)OC ZINC000161465882 632041113 /nfs/dbraw/zinc/04/11/13/632041113.db2.gz FZBZSBZJBHNVOA-VIFPVBQESA-N 0 3 203.282 0.308 20 0 BCADHN Cn1cnc(CN[C@@H](CCO)C2CC2)c1 ZINC000308874961 632044748 /nfs/dbraw/zinc/04/47/48/632044748.db2.gz MTSLPFCUYWTYFX-NSHDSACASA-N 0 3 209.293 0.671 20 0 BCADHN Cc1cc(N)nc(NC[C@@H](O)C2CC2)n1 ZINC000892319656 632050277 /nfs/dbraw/zinc/05/02/77/632050277.db2.gz OGXRFHZDVHSWOG-MRVPVSSYSA-N 0 3 208.265 0.550 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)[C@@H](N)CC1CC1 ZINC000308884329 632080530 /nfs/dbraw/zinc/08/05/30/632080530.db2.gz 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PQCQPXCAUWIJKK-WCBMZHEXSA-N 0 3 249.314 0.974 20 0 BCADHN CS[C@@H]1CC[C@@H](NC(=O)[C@@H](C)N)C1 ZINC000225531783 632392594 /nfs/dbraw/zinc/39/25/94/632392594.db2.gz PCZFERZCXDYWQN-BWZBUEFSSA-N 0 3 202.323 0.734 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N(CCN(C)C)C(C)C ZINC000935026046 632420117 /nfs/dbraw/zinc/42/01/17/632420117.db2.gz MVIBGOVVBYDPOO-GHMZBOCLSA-N 0 3 228.336 0.820 20 0 BCADHN COCC[C@@H](N)C(=O)N(C)Cc1ccco1 ZINC000052791443 632490664 /nfs/dbraw/zinc/49/06/64/632490664.db2.gz DTYPVLVZVVOKGK-SNVBAGLBSA-N 0 3 226.276 0.602 20 0 BCADHN COCC[C@H](N)C(=O)N[C@H]1CCS[C@H]1C ZINC000308930541 632490960 /nfs/dbraw/zinc/49/09/60/632490960.db2.gz LYPSYLQAKRKTPE-CIUDSAMLSA-N 0 3 232.349 0.360 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1ccc(O)cc1 ZINC000052792570 632492030 /nfs/dbraw/zinc/49/20/30/632492030.db2.gz XJPPARCOCLCAFT-SNVBAGLBSA-N 0 3 224.260 0.695 20 0 BCADHN COCC[C@@H](N)C(=O)N(CC1CC1)C(C)C ZINC000052810186 632497281 /nfs/dbraw/zinc/49/72/81/632497281.db2.gz JJJBKKVRURWLHT-LLVKDONJSA-N 0 3 228.336 0.997 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1cccc(O)c1 ZINC000052809570 632498684 /nfs/dbraw/zinc/49/86/84/632498684.db2.gz URMMMVSPNMKCID-SNVBAGLBSA-N 0 3 224.260 0.695 20 0 BCADHN NC(=O)c1csc(CN[C@@H](CO)C2CC2)c1 ZINC000309601335 632580367 /nfs/dbraw/zinc/58/03/67/632580367.db2.gz WPLQRZZGTXJXTE-JTQLQIEISA-N 0 3 240.328 0.708 20 0 BCADHN COC[C@@H](CO)N[C@@H]1CCCc2n[nH]cc21 ZINC000309632433 632593827 /nfs/dbraw/zinc/59/38/27/632593827.db2.gz IHELXQMNKHXVFX-PSASIEDQSA-N 0 3 225.292 0.384 20 0 BCADHN C[C@](O)(CO)CNCc1ccc(Cl)nc1 ZINC000309052528 632629538 /nfs/dbraw/zinc/62/95/38/632629538.db2.gz RSJMVBMISGUEJY-SNVBAGLBSA-N 0 3 230.695 0.568 20 0 BCADHN CCCCN(CC(N)=O)C(=O)[C@@H](N)CC1CC1 ZINC000310109881 632699857 /nfs/dbraw/zinc/69/98/57/632699857.db2.gz PFDFKYKMVPHDBK-JTQLQIEISA-N 0 3 241.335 0.228 20 0 BCADHN CCCCN(CC(N)=O)C(=O)[C@H](N)CC1CC1 ZINC000310109882 632700244 /nfs/dbraw/zinc/70/02/44/632700244.db2.gz PFDFKYKMVPHDBK-SNVBAGLBSA-N 0 3 241.335 0.228 20 0 BCADHN 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/nfs/dbraw/zinc/89/73/13/632897313.db2.gz QJSBLDWLNXGCBJ-IUCAKERBSA-N 0 3 202.298 0.655 20 0 BCADHN COCC[C@H](N)C(=O)N1CCCCCC1 ZINC000052790673 632898198 /nfs/dbraw/zinc/89/81/98/632898198.db2.gz WXOZEWUAEDBFPM-JTQLQIEISA-N 0 3 214.309 0.753 20 0 BCADHN COCC[C@H](N)C(=O)NCCC(C)C ZINC000052790854 632898531 /nfs/dbraw/zinc/89/85/31/632898531.db2.gz LZFRJCCGUUBLDO-VIFPVBQESA-N 0 3 202.298 0.513 20 0 BCADHN COCC[C@H](N)C(=O)N1CCCSCC1 ZINC000052810050 632900400 /nfs/dbraw/zinc/90/04/00/632900400.db2.gz HAXLOKOAADFPTO-VIFPVBQESA-N 0 3 232.349 0.316 20 0 BCADHN C[C@H](NCc1cnn(C)n1)C1CCOCC1 ZINC000309299339 632903955 /nfs/dbraw/zinc/90/39/55/632903955.db2.gz XWBDEGRPMXODIF-VIFPVBQESA-N 0 3 224.308 0.720 20 0 BCADHN CCn1nncc1CNC1CCN(OC)CC1 ZINC000926740680 632933711 /nfs/dbraw/zinc/93/37/11/632933711.db2.gz IWZXAHPOUAUTCU-UHFFFAOYSA-N 0 3 239.323 0.413 20 0 BCADHN C[C@H](N[C@H](CO)c1ccnn1C)C(C)(C)CO ZINC000926742941 632939094 /nfs/dbraw/zinc/93/90/94/632939094.db2.gz LMETYPMUVKRRLG-VHSXEESVSA-N 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CC(C)NC(=O)[C@H](C)n1cc([C@H](C)N)nn1 ZINC000167100602 633123453 /nfs/dbraw/zinc/12/34/53/633123453.db2.gz ISTHSBBOPGTAPC-YUMQZZPRSA-N 0 3 225.296 0.383 20 0 BCADHN Cn1nc(Br)cc1CNCCO ZINC000308091757 633160999 /nfs/dbraw/zinc/16/09/99/633160999.db2.gz UDVXPPHXGOTCKE-UHFFFAOYSA-N 0 3 234.097 0.265 20 0 BCADHN Cc1nonc1CC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928428870 635911288 /nfs/dbraw/zinc/91/12/88/635911288.db2.gz ADCSHLUEXMJPGG-IUCAKERBSA-N 0 3 238.291 0.129 20 0 BCADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928429707 635912928 /nfs/dbraw/zinc/91/29/28/635912928.db2.gz DAQHJNWYGINZBL-YUMQZZPRSA-N 0 3 238.291 0.246 20 0 BCADHN C[C@@H]1CN(CCNCc2c[nH]cn2)CCO1 ZINC000309518938 633186002 /nfs/dbraw/zinc/18/60/02/633186002.db2.gz ZNSZICIOLVVXEI-SNVBAGLBSA-N 0 3 224.308 0.220 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2cc(F)c[nH]2)CCN1C ZINC000928431530 635917559 /nfs/dbraw/zinc/91/75/59/635917559.db2.gz FCVJFOSREZNFFL-IONNQARKSA-N 0 3 225.267 0.976 20 0 BCADHN C[C@H](C[C@H]1CCOC1)NCc1cn(C)nn1 ZINC000309577889 633204314 /nfs/dbraw/zinc/20/43/14/633204314.db2.gz PMTMGZFYEHIEBX-NXEZZACHSA-N 0 3 224.308 0.720 20 0 BCADHN C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCN1C ZINC000928432536 635921785 /nfs/dbraw/zinc/92/17/85/635921785.db2.gz QOLLEDCFUOZZPZ-KQSJRHEJSA-N 0 3 238.331 0.763 20 0 BCADHN COC[C@@H](NCC1OCCO1)[C@@H]1CCCO1 ZINC000309644001 633218405 /nfs/dbraw/zinc/21/84/05/633218405.db2.gz LPPJQBSQEFGWPT-ZJUUUORDSA-N 0 3 231.292 0.143 20 0 BCADHN CCCS(=O)(=O)CCN[C@H](COC)C1CC1 ZINC000183444881 633219903 /nfs/dbraw/zinc/21/99/03/633219903.db2.gz LRRBXHIMWWIIBZ-LLVKDONJSA-N 0 3 249.376 0.826 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@H]2C[C@]23CCOC3)CCN1C ZINC000928436043 635932249 /nfs/dbraw/zinc/93/22/49/635932249.db2.gz IIVBKTAWEIDBME-UZWSLXQKSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@]23CCOC3)CCN1C ZINC000928436033 635932559 /nfs/dbraw/zinc/93/25/59/635932559.db2.gz IIVBKTAWEIDBME-LSCVPOLPSA-N 0 3 238.331 0.622 20 0 BCADHN Cc1nc(C)c(C(=O)N[C@@H]2CCN(C)[C@H]2C)[nH]1 ZINC000928436134 635932584 /nfs/dbraw/zinc/93/25/84/635932584.db2.gz UNXJVMHTLODJLJ-WCBMZHEXSA-N 0 3 236.319 0.849 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCCO2)CCN1C ZINC000928438502 635933440 /nfs/dbraw/zinc/93/34/40/635933440.db2.gz JZFLPRYEOCDPJX-JFGNBEQYSA-N 0 3 226.320 0.764 20 0 BCADHN CCC[C@](C)(O)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928439305 635934721 /nfs/dbraw/zinc/93/47/21/635934721.db2.gz IQGULRMADATDOE-UMNHJUIQSA-N 0 3 228.336 0.746 20 0 BCADHN COC(=O)C[C@H](C)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928440488 635940889 /nfs/dbraw/zinc/94/08/89/635940889.db2.gz NKLGVGAMARIFPS-LPEHRKFASA-N 0 3 242.319 0.394 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@H]2CCCO2)CCN1C ZINC000928440917 635941086 /nfs/dbraw/zinc/94/10/86/635941086.db2.gz NJTRFWPWIMCVBX-OPRDCNLKSA-N 0 3 212.293 0.374 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCc1ccncc1 ZINC000304391060 635941368 /nfs/dbraw/zinc/94/13/68/635941368.db2.gz TUNKRUFUAGEAJW-NSHDSACASA-N 0 3 219.288 0.825 20 0 BCADHN C[C@@H]1[C@H](NC(=O)C2(O)CCCCC2)CCN1C ZINC000928441227 635941593 /nfs/dbraw/zinc/94/15/93/635941593.db2.gz PINBUHYNLJREAC-GHMZBOCLSA-N 0 3 240.347 0.890 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc(=O)[nH]1 ZINC000928443584 635947000 /nfs/dbraw/zinc/94/70/00/635947000.db2.gz ZTWFWIIRIONTFX-KOLCDFICSA-N 0 3 249.314 0.918 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2cccn(C)c2=O)CCN1C ZINC000928444569 635948516 /nfs/dbraw/zinc/94/85/16/635948516.db2.gz GUQNIJLDYCUIEB-ONGXEEELSA-N 0 3 249.314 0.208 20 0 BCADHN CCn1ccnc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928445573 635948895 /nfs/dbraw/zinc/94/88/95/635948895.db2.gz ZCRPSAFKCYAVCE-ZJUUUORDSA-N 0 3 236.319 0.725 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2ccnn2C)CCN1C ZINC000928445576 635949390 /nfs/dbraw/zinc/94/93/90/635949390.db2.gz RWMFITCVDIEZMN-IUCAKERBSA-N 0 3 222.292 0.243 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCN(C)[C@H]1C)C(=O)OC ZINC000928444516 635949686 /nfs/dbraw/zinc/94/96/86/635949686.db2.gz TZKMSAGCZPUQNW-AEJSXWLSSA-N 0 3 242.319 0.394 20 0 BCADHN CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928450214 635954879 /nfs/dbraw/zinc/95/48/79/635954879.db2.gz SXRSNTUCYHHCLP-PSASIEDQSA-N 0 3 241.335 0.110 20 0 BCADHN Cc1nnsc1CN[C@@H]1CCN(C)C1 ZINC000306149880 635957528 /nfs/dbraw/zinc/95/75/28/635957528.db2.gz CEHCGLCCOCTTPA-MRVPVSSYSA-N 0 3 212.322 0.640 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CCS(N)(=O)=O ZINC000306442226 635965483 /nfs/dbraw/zinc/96/54/83/635965483.db2.gz KGHYDQJGANDRAU-HTQZYQBOSA-N 0 3 206.311 0.148 20 0 BCADHN C[C@@H](O)CCN1CCC2(C1)OCCO2 ZINC000306771736 635975145 /nfs/dbraw/zinc/97/51/45/635975145.db2.gz GSOVBOXSGKPCEJ-SECBINFHSA-N 0 3 201.266 0.206 20 0 BCADHN CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCO ZINC001029188833 636009235 /nfs/dbraw/zinc/00/92/35/636009235.db2.gz BHIGGZFENHOKAH-TXEJJXNPSA-N 0 3 240.347 0.844 20 0 BCADHN CN1C[C@H]2CCN(C(=O)NOCC3CC3)[C@@H]2C1 ZINC000895042612 636019043 /nfs/dbraw/zinc/01/90/43/636019043.db2.gz CXRCBKLLDCYBGX-GHMZBOCLSA-N 0 3 239.319 0.674 20 0 BCADHN OC1(CCN2CCC3(C2)OCCO3)CCC1 ZINC000307067373 635981507 /nfs/dbraw/zinc/98/15/07/635981507.db2.gz XIRZKVBTSGABIA-UHFFFAOYSA-N 0 3 227.304 0.740 20 0 BCADHN CC(C)[C@H](O)CN1CCC2(C1)OCCO2 ZINC000307264332 635985356 /nfs/dbraw/zinc/98/53/56/635985356.db2.gz BRTSZQVCYVVTDW-SNVBAGLBSA-N 0 3 215.293 0.452 20 0 BCADHN C[C@@H]1C[C@@H](C)N(CCS(N)(=O)=O)C1 ZINC000307631135 635992620 /nfs/dbraw/zinc/99/26/20/635992620.db2.gz ZEYZPIZOYIHGBD-HTQZYQBOSA-N 0 3 206.311 0.005 20 0 BCADHN CCc1ncc(CNC[C@H]2COCO2)cn1 ZINC000894880347 635992768 /nfs/dbraw/zinc/99/27/68/635992768.db2.gz CBBRSZBPSSVDPV-JTQLQIEISA-N 0 3 223.276 0.502 20 0 BCADHN CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCO ZINC001029178854 636003002 /nfs/dbraw/zinc/00/30/02/636003002.db2.gz DEGHOEGVVCYISG-PHIMTYICSA-N 0 3 212.293 0.064 20 0 BCADHN O=C(OCCN1CCCCC1)[C@]1(O)CCOC1 ZINC000840689886 636068488 /nfs/dbraw/zinc/06/84/88/636068488.db2.gz AEEHEHZEMXZNKV-LBPRGKRZSA-N 0 3 243.303 0.167 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H]1CCN1C)N(C)C ZINC000928559764 636102915 /nfs/dbraw/zinc/10/29/15/636102915.db2.gz NQJRACWMDNDMRA-UWVGGRQHSA-N 0 3 213.325 0.147 20 0 BCADHN CN1CC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000928553541 636088170 /nfs/dbraw/zinc/08/81/70/636088170.db2.gz FZULHKGXDUKDBG-IUCAKERBSA-N 0 3 249.318 0.045 20 0 BCADHN C[C@H](NC[C@@H]1CCCOC1)C1N=NC(=O)N1C ZINC000895173648 636115928 /nfs/dbraw/zinc/11/59/28/636115928.db2.gz ACUCZSYGWOQUQV-IUCAKERBSA-N 0 3 240.307 0.598 20 0 BCADHN CCCN1CC[C@@H](NCCS(=O)(=O)CC)C1 ZINC000328228537 633743440 /nfs/dbraw/zinc/74/34/40/633743440.db2.gz BEIQBQVHLNFURE-LLVKDONJSA-N 0 3 248.392 0.495 20 0 BCADHN COCCN(C)CCNCc1ccoc1 ZINC000053443786 633793446 /nfs/dbraw/zinc/79/34/46/633793446.db2.gz WLIKSENRFOSUCJ-UHFFFAOYSA-N 0 3 212.293 0.947 20 0 BCADHN CC(C)OCCNC(=O)[C@H](N)CC1CC1 ZINC000308948695 633835257 /nfs/dbraw/zinc/83/52/57/633835257.db2.gz GWDVXNXKLRDOBC-SNVBAGLBSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@H](CC(N)=O)NCc1cn(C)nc1C1CC1 ZINC000893132755 633846673 /nfs/dbraw/zinc/84/66/73/633846673.db2.gz RONWMZDBVDNBIR-MRVPVSSYSA-N 0 3 236.319 0.651 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cn(C)nc1C1CC1 ZINC000893132756 633846961 /nfs/dbraw/zinc/84/69/61/633846961.db2.gz RONWMZDBVDNBIR-QMMMGPOBSA-N 0 3 236.319 0.651 20 0 BCADHN CS(=O)(=O)CC1(CNCc2cnc[nH]2)CC1 ZINC000309890130 633909212 /nfs/dbraw/zinc/90/92/12/633909212.db2.gz CDAHDCUTVDGOET-UHFFFAOYSA-N 0 3 243.332 0.324 20 0 BCADHN CCN(CC[S@@](=O)C(F)(F)F)[C@@H](C)CO ZINC000930583112 633911194 /nfs/dbraw/zinc/91/11/94/633911194.db2.gz NHDAFIWXOAQJHR-NZFNHWASSA-N 0 3 247.282 0.958 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NC[C@@H]1COCCO1 ZINC000309447915 633920365 /nfs/dbraw/zinc/92/03/65/633920365.db2.gz LTWYPBOEGQAJJU-PSASIEDQSA-N 0 3 225.292 0.784 20 0 BCADHN CNc1ncc(C(=O)N(C)CCN(C)C)s1 ZINC000309939993 633966396 /nfs/dbraw/zinc/96/63/96/633966396.db2.gz BJQBQLBTHFXFIL-UHFFFAOYSA-N 0 3 242.348 0.818 20 0 BCADHN O=C(/C=C\c1ccco1)NC[C@H]1CNCCO1 ZINC000309979268 634017040 /nfs/dbraw/zinc/01/70/40/634017040.db2.gz DWVYIHKJFLTAIR-DLRQAJBASA-N 0 3 236.271 0.397 20 0 BCADHN Cc1nc(F)ccc1CNC[C@@](C)(O)CO ZINC000309840288 634022361 /nfs/dbraw/zinc/02/23/61/634022361.db2.gz CTVQXAVUHTWVCA-LLVKDONJSA-N 0 3 228.267 0.362 20 0 BCADHN CON1CC[C@H](N2C[C@H](CO)C[C@H](C)C2)C1=O ZINC000930748261 634085219 /nfs/dbraw/zinc/08/52/19/634085219.db2.gz JCZLPUAQOQFKMH-AXFHLTTASA-N 0 3 242.319 0.099 20 0 BCADHN CON1CC[C@H](N2C[C@H](C)C[C@H](CO)C2)C1=O ZINC000930748264 634086098 /nfs/dbraw/zinc/08/60/98/634086098.db2.gz JCZLPUAQOQFKMH-VWYCJHECSA-N 0 3 242.319 0.099 20 0 BCADHN CC[C@H](CO)NCc1ccc(OC)cn1 ZINC000893303827 634120011 /nfs/dbraw/zinc/12/00/11/634120011.db2.gz WLAITAOKPYMLPV-SECBINFHSA-N 0 3 210.277 0.951 20 0 BCADHN C[C@@H](NCCN1CCC1)c1ccnnc1 ZINC000925604996 634134713 /nfs/dbraw/zinc/13/47/13/634134713.db2.gz CPGPXSHDUURHQK-SNVBAGLBSA-N 0 3 206.293 0.833 20 0 BCADHN C[C@@H]1[C@@H](N(C)C)CCN1c1ncc(C=O)cn1 ZINC000310463357 634150092 /nfs/dbraw/zinc/15/00/92/634150092.db2.gz FUSUCTJKOXRYRK-KOLCDFICSA-N 0 3 234.303 0.818 20 0 BCADHN Cc1nn[nH]c1C(=O)NCCN1CCCCC1 ZINC000188632533 634151068 /nfs/dbraw/zinc/15/10/68/634151068.db2.gz WLXJJPOFIAVWIN-UHFFFAOYSA-N 0 3 237.307 0.329 20 0 BCADHN CN1CC[C@H](c2nc(Cc3cn[nH]c3)no2)C1 ZINC000924135569 634172292 /nfs/dbraw/zinc/17/22/92/634172292.db2.gz OHHHNQGPKQCSKP-VIFPVBQESA-N 0 3 233.275 0.803 20 0 BCADHN OC[C@@H](O)CN1CC[C@@H](Oc2ccccc2)C1 ZINC000931061172 634206755 /nfs/dbraw/zinc/20/67/55/634206755.db2.gz CUZCTQSTIFBJEH-WCQYABFASA-N 0 3 237.299 0.493 20 0 BCADHN O=c1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc[n-]1 ZINC000162635535 634244399 /nfs/dbraw/zinc/24/43/99/634244399.db2.gz FXSNQIHXRBNUDY-SECBINFHSA-N 0 3 234.303 0.666 20 0 BCADHN O=c1cc(NC[C@H]2CC[N@H+](C3CC3)C2)nc[n-]1 ZINC000162635535 634244401 /nfs/dbraw/zinc/24/44/01/634244401.db2.gz FXSNQIHXRBNUDY-SECBINFHSA-N 0 3 234.303 0.666 20 0 BCADHN CCC(C)(C)OCCNCCS(C)(=O)=O ZINC000053568721 634244982 /nfs/dbraw/zinc/24/49/82/634244982.db2.gz GIHOKYMSZJJHBM-UHFFFAOYSA-N 0 3 237.365 0.826 20 0 BCADHN CCOC(=O)/C=C/CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000123906635 634280586 /nfs/dbraw/zinc/28/05/86/634280586.db2.gz JKONWITUVJSNMA-SPXIEQKPSA-N 0 3 239.315 0.808 20 0 BCADHN C[C@@H](O)CN1CCN(C[C@@H]2CCC=CO2)CC1 ZINC000194814278 634335964 /nfs/dbraw/zinc/33/59/64/634335964.db2.gz ASEGWMHAFDTHCF-OLZOCXBDSA-N 0 3 240.347 0.678 20 0 BCADHN Cc1cccc(N(C)C(=O)[C@@H]2CNCCN2C)c1 ZINC000258929607 635225129 /nfs/dbraw/zinc/22/51/29/635225129.db2.gz LEZKMAXRAQZDIB-ZDUSSCGKSA-N 0 3 247.342 0.861 20 0 BCADHN COCC(=O)N1CCCN([C@H](C)COC)CC1 ZINC000980580228 635239461 /nfs/dbraw/zinc/23/94/61/635239461.db2.gz RFCYTKOVABFLOW-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN COC(=O)[C@H](C)CN(C)c1cc(C)nc(N)n1 ZINC000223237416 635363466 /nfs/dbraw/zinc/36/34/66/635363466.db2.gz ANXSMTXRVXPYKP-SSDOTTSWSA-N 0 3 238.291 0.613 20 0 BCADHN C[C@H](CO)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000095245198 635438045 /nfs/dbraw/zinc/43/80/45/635438045.db2.gz PSQMWUOGIOPUPF-BDAKNGLRSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@H](CO)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000095245198 635438049 /nfs/dbraw/zinc/43/80/49/635438049.db2.gz PSQMWUOGIOPUPF-BDAKNGLRSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@H](CO)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000095245196 635439216 /nfs/dbraw/zinc/43/92/16/635439216.db2.gz KHFKKJSRJRYRKZ-RKDXNWHRSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@H](CO)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000095245196 635439209 /nfs/dbraw/zinc/43/92/09/635439209.db2.gz KHFKKJSRJRYRKZ-RKDXNWHRSA-N 0 3 247.302 0.898 20 0 BCADHN O=C(NC[C@@H]1CCCN1CCO)[C@@H]1CC12CC2 ZINC001028163858 635441595 /nfs/dbraw/zinc/44/15/95/635441595.db2.gz DAAOFCCGWMGXQW-QWRGUYRKSA-N 0 3 238.331 0.359 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2cnn(C)n2)nn1 ZINC000310269874 635474494 /nfs/dbraw/zinc/47/44/94/635474494.db2.gz NBGLRFYETSWFHP-SECBINFHSA-N 0 3 235.295 0.255 20 0 BCADHN Cn1cnc(/C=C\C(=O)N[C@H]2CCCN(C)C2)c1 ZINC000932070018 635547108 /nfs/dbraw/zinc/54/71/08/635547108.db2.gz FIOGCOYMZNTKNI-FJOGCWAESA-N 0 3 248.330 0.644 20 0 BCADHN CN(CCc1ccccc1F)C[C@@H](O)CO ZINC000259186130 635750832 /nfs/dbraw/zinc/75/08/32/635750832.db2.gz WJNLABMCSSOJCN-LLVKDONJSA-N 0 3 227.279 0.653 20 0 BCADHN C/C=C/C=C/C(=O)NC[C@@H]1C[C@H](O)CN1C ZINC000924994088 635831709 /nfs/dbraw/zinc/83/17/09/635831709.db2.gz XIAUSGJKCRWRLC-SPSFHXBISA-N 0 3 224.304 0.300 20 0 BCADHN O[C@H]1c2ccccc2OC[C@H]1NCc1cnc[nH]1 ZINC000894787490 635925300 /nfs/dbraw/zinc/92/53/00/635925300.db2.gz POJLCIVDQJQMRS-YPMHNXCESA-N 0 3 245.282 0.994 20 0 BCADHN CO[C@H](C(=O)N[C@H]1CCN(C)[C@H]1C)C(C)C ZINC000928436046 635931046 /nfs/dbraw/zinc/93/10/46/635931046.db2.gz IJAJYQQJUBCQAD-DCAQKATOSA-N 0 3 228.336 0.866 20 0 BCADHN CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)O ZINC001029189233 636009854 /nfs/dbraw/zinc/00/98/54/636009854.db2.gz RZKWKQXDWWKJOL-UTUOFQBUSA-N 0 3 240.347 0.843 20 0 BCADHN COC[C@H](C)CN1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000895118582 636067103 /nfs/dbraw/zinc/06/71/03/636067103.db2.gz LBMYPEAFZRXOHF-GWOFURMSSA-N 0 3 228.336 0.866 20 0 BCADHN COC[C@H](C)CN1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000895118581 636067497 /nfs/dbraw/zinc/06/74/97/636067497.db2.gz LBMYPEAFZRXOHF-CHWFTXMASA-N 0 3 228.336 0.866 20 0 BCADHN C[C@H](NCCNc1ccccn1)c1cnnn1C ZINC000925123424 636120875 /nfs/dbraw/zinc/12/08/75/636120875.db2.gz CBFYYRTUAMCABM-JTQLQIEISA-N 0 3 246.318 0.973 20 0 BCADHN C[C@@H](N1CCN(C(=O)CN)CC1)C(F)(F)F ZINC000237396529 636196653 /nfs/dbraw/zinc/19/66/53/636196653.db2.gz IBOUMLGLPUTNJA-SSDOTTSWSA-N 0 3 239.241 0.040 20 0 BCADHN CCCN(C)CC(=O)N(CC)CCC(N)=O ZINC000928823728 636388629 /nfs/dbraw/zinc/38/86/29/636388629.db2.gz GGZLQSFTJQQPIC-UHFFFAOYSA-N 0 3 229.324 0.052 20 0 BCADHN CCN1CCC(N2C(=O)N[C@H](CF)C2=O)CC1 ZINC000348973104 636403841 /nfs/dbraw/zinc/40/38/41/636403841.db2.gz TZWVDMXTPBMNQT-SECBINFHSA-N 0 3 243.282 0.361 20 0 BCADHN CC(=O)N1CC[C@H](NCc2cnn(C)c2)[C@H]1C ZINC000985834377 636426882 /nfs/dbraw/zinc/42/68/82/636426882.db2.gz VGFDZDFFJSBZPA-SKDRFNHKSA-N 0 3 236.319 0.519 20 0 BCADHN CCC(=O)N1CC[C@@H](NCCF)[C@H]1C ZINC000985841319 636428825 /nfs/dbraw/zinc/42/88/25/636428825.db2.gz ZDOXGLFPSNMUAH-RKDXNWHRSA-N 0 3 202.273 0.945 20 0 BCADHN Cc1cc(N[C@H]2CC(=O)N(C3CC3)C2)nc(N)n1 ZINC000751969911 636483003 /nfs/dbraw/zinc/48/30/03/636483003.db2.gz YSSKPNCTICUCEF-QMMMGPOBSA-N 0 3 247.302 0.542 20 0 BCADHN C[C@H]1[C@@H](NCCF)CCN1C(=O)c1ncc[nH]1 ZINC000986257621 636549460 /nfs/dbraw/zinc/54/94/60/636549460.db2.gz NAXDQWFENAVYOP-IUCAKERBSA-N 0 3 240.282 0.572 20 0 BCADHN C[C@@H](NC[C@H](O)CC(C)(C)O)c1ccnn1C ZINC000872239310 636576955 /nfs/dbraw/zinc/57/69/55/636576955.db2.gz PNEDSKGMTIQZAB-NXEZZACHSA-N 0 3 241.335 0.593 20 0 BCADHN C[C@@H](C(=O)N1CCOCN1)N1CCCCCC1 ZINC000928949606 636618784 /nfs/dbraw/zinc/61/87/84/636618784.db2.gz FCFNHQSDYRIIJD-NSHDSACASA-N 0 3 241.335 0.572 20 0 BCADHN COCCNCC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000086158209 636636078 /nfs/dbraw/zinc/63/60/78/636636078.db2.gz ZHZSXHQQAMDZJK-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CCOCN1 ZINC000928954462 636647123 /nfs/dbraw/zinc/64/71/23/636647123.db2.gz JYAQRDQEGBYENK-JTQLQIEISA-N 0 3 227.308 0.182 20 0 BCADHN CC(=O)N1C[C@@H](NCc2cncn2C)C[C@H]1C ZINC000987630229 636655746 /nfs/dbraw/zinc/65/57/46/636655746.db2.gz BTQPJFYFQQJSJM-KOLCDFICSA-N 0 3 236.319 0.519 20 0 BCADHN CC(C)=CC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC000987863946 636670236 /nfs/dbraw/zinc/67/02/36/636670236.db2.gz FVZRZWUWYSRKAH-VHSXEESVSA-N 0 3 239.319 0.017 20 0 BCADHN CC(C)CC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC000987836311 636670747 /nfs/dbraw/zinc/67/07/47/636670747.db2.gz SFOSDKAOVGTBLH-NXEZZACHSA-N 0 3 241.335 0.097 20 0 BCADHN CSCC(=O)N1C[C@@H](NCCF)C[C@H]1C ZINC000987978345 636673944 /nfs/dbraw/zinc/67/39/44/636673944.db2.gz ZSAPIPUUFBSKBU-BDAKNGLRSA-N 0 3 234.340 0.898 20 0 BCADHN C[C@H]1C[C@H](NCCF)CN1C(=O)c1ccon1 ZINC000988229755 636684562 /nfs/dbraw/zinc/68/45/62/636684562.db2.gz RUXZBIHMBFNXDC-IUCAKERBSA-N 0 3 241.266 0.837 20 0 BCADHN CN1CCC[C@@H]1CN1C(=O)N[C@H](C2CC2)C1=O ZINC000925293653 636743233 /nfs/dbraw/zinc/74/32/33/636743233.db2.gz QPSAKGKBHXYAQD-NXEZZACHSA-N 0 3 237.303 0.411 20 0 BCADHN C[C@H]1C[C@@H](NCCF)CN1C(=O)CC(C)(C)O ZINC000988728557 636769456 /nfs/dbraw/zinc/76/94/56/636769456.db2.gz HPFDRFLHBQSGDP-VHSXEESVSA-N 0 3 246.326 0.696 20 0 BCADHN CCN1CCC[C@@H](N2C(=O)[C@@H](C)N(C)C2=O)C1 ZINC000925300411 636801457 /nfs/dbraw/zinc/80/14/57/636801457.db2.gz VYIKWWVLKCCPRX-NXEZZACHSA-N 0 3 239.319 0.753 20 0 BCADHN COCCN(CCN(C)C)C(=O)N1CCCC1 ZINC000729495857 636805220 /nfs/dbraw/zinc/80/52/20/636805220.db2.gz XZVOKFNHRWTXJY-UHFFFAOYSA-N 0 3 243.351 0.712 20 0 BCADHN CCn1cc(CN[C@H]2CCC[C@H]2CCO)nn1 ZINC000897648704 636830815 /nfs/dbraw/zinc/83/08/15/636830815.db2.gz FCEAUVNOELAJKO-JQWIXIFHSA-N 0 3 238.335 0.939 20 0 BCADHN OC1CC2(C[C@H]2NCc2cnn3c2CCC3)C1 ZINC000897845184 636837943 /nfs/dbraw/zinc/83/79/43/636837943.db2.gz ZPAAOTFQOHCTMS-YXMLORGKSA-N 0 3 233.315 0.832 20 0 BCADHN CCN1CC[C@@H](N2C(=O)NC3(CCC3)C2=O)C1 ZINC000925325135 636878209 /nfs/dbraw/zinc/87/82/09/636878209.db2.gz WRTSGIYGHXVTCB-SECBINFHSA-N 0 3 237.303 0.555 20 0 BCADHN C[C@H]1[C@H](NC(=O)NCC2(CO)CC2)CCN1C ZINC000925326317 636898979 /nfs/dbraw/zinc/89/89/79/636898979.db2.gz LEKBNLXIFKLRKS-VHSXEESVSA-N 0 3 241.335 0.151 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000152359063 636901463 /nfs/dbraw/zinc/90/14/63/636901463.db2.gz KHYNVFCKDKJPJY-TXEJJXNPSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1[C@H](NC(=O)N(C)C2CC2)CCN1C ZINC000925329023 636922563 /nfs/dbraw/zinc/92/25/63/636922563.db2.gz MIFFDVFPDFHOAI-PSASIEDQSA-N 0 3 211.309 0.883 20 0 BCADHN CCCCCCNS(=O)(=O)N1CCNCC1 ZINC000040862135 636945805 /nfs/dbraw/zinc/94/58/05/636945805.db2.gz CTJZRYPATALVFP-UHFFFAOYSA-N 0 3 249.380 0.306 20 0 BCADHN CC(C)[C@@H]1COCC[C@@H]1NCc1nncn1C ZINC000924644678 636970686 /nfs/dbraw/zinc/97/06/86/636970686.db2.gz QWKWLOGQNNBLPM-QWRGUYRKSA-N 0 3 238.335 0.966 20 0 BCADHN CC(C)COC[C@H](O)CNCc1cnn(C)c1 ZINC000041159609 636973248 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/nfs/dbraw/zinc/79/30/10/711793010.db2.gz BJBLOMFVQVADRG-RKDXNWHRSA-N 0 3 240.282 0.572 20 0 BCADHN CSCCC(=O)OCC(C)[N+](=O)[O-] ZINC000379357947 711800121 /nfs/dbraw/zinc/80/01/21/711800121.db2.gz TYCABVMGLUFTHD-LURJTMIESA-N 0 3 207.251 0.948 20 0 BCADHN CCC(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@H]1O ZINC001076653449 711807236 /nfs/dbraw/zinc/80/72/36/711807236.db2.gz NJTXZXUDQPIBJA-OPRDCNLKSA-N 0 3 232.299 0.306 20 0 BCADHN COC(=O)CCN1CCC(C(C)=O)CC1 ZINC000068959538 711890233 /nfs/dbraw/zinc/89/02/33/711890233.db2.gz OOBDCHZICAHVBY-UHFFFAOYSA-N 0 3 213.277 0.851 20 0 BCADHN CCN1CC(CNC(=O)[C@H]2C[C@@]23CCOC3)C1 ZINC001032113347 711903062 /nfs/dbraw/zinc/90/30/62/711903062.db2.gz CCDMLHZIWUOZPX-DGCLKSJQSA-N 0 3 238.331 0.481 20 0 BCADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001077730950 711915134 /nfs/dbraw/zinc/91/51/34/711915134.db2.gz AXKFJWLSIOAQKQ-HBNTYKKESA-N 0 3 238.331 0.358 20 0 BCADHN C[S@@](=O)CCCNCc1cnn(CCF)c1 ZINC000921752819 711938808 /nfs/dbraw/zinc/93/88/08/711938808.db2.gz XTIGZCLSQZIOPP-MRXNPFEDSA-N 0 3 247.339 0.711 20 0 BCADHN C[C@@H](O)CN1CC[C@@H](N(C)C(=O)C2CCC2)C1 ZINC001032852816 711964091 /nfs/dbraw/zinc/96/40/91/711964091.db2.gz MWKRXKBIIXIZJS-ZYHUDNBSSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](O)CN1CC[C@H](N(C)C(=O)C2CC2)C1 ZINC001032847865 711963232 /nfs/dbraw/zinc/96/32/32/711963232.db2.gz FCYYZKKMNAFVCA-ONGXEEELSA-N 0 3 226.320 0.310 20 0 BCADHN COCCN1CC[C@@H](N(C)C(=O)C2CC2)C1 ZINC001032853649 711964417 /nfs/dbraw/zinc/96/44/17/711964417.db2.gz NXNRPJXGTNWIPN-LLVKDONJSA-N 0 3 226.320 0.576 20 0 BCADHN COCCN1CC[C@@H](N(C)C(=O)CC2CC2)C1 ZINC001032859927 711964514 /nfs/dbraw/zinc/96/45/14/711964514.db2.gz ARSNZUSRSSENCB-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2ccon2)C1 ZINC001032936308 711969060 /nfs/dbraw/zinc/96/90/60/711969060.db2.gz WVYPAEQCNANGKX-VIFPVBQESA-N 0 3 223.276 0.841 20 0 BCADHN CCCN1CC[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033218257 711980218 /nfs/dbraw/zinc/98/02/18/711980218.db2.gz WDPTXVQIHCACSY-SECBINFHSA-N 0 3 237.307 0.361 20 0 BCADHN CN(C(=O)C1(C)CCC1)[C@H]1CCN(CCO)C1 ZINC001033326355 711983287 /nfs/dbraw/zinc/98/32/87/711983287.db2.gz NLOZQQNTMWTTQQ-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001033330090 711983786 /nfs/dbraw/zinc/98/37/86/711983786.db2.gz DEICVDKMXNLFMF-AXFHLTTASA-N 0 3 226.320 0.167 20 0 BCADHN CCCN1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033515884 711999072 /nfs/dbraw/zinc/99/90/72/711999072.db2.gz MYEVOVAHIJHECD-VIFPVBQESA-N 0 3 237.307 0.361 20 0 BCADHN CC(=O)N1CCC[C@H]1CNCc1n[nH]c(C)n1 ZINC001044888271 712008778 /nfs/dbraw/zinc/00/87/78/712008778.db2.gz BBZQBPGGLIACCM-JTQLQIEISA-N 0 3 237.307 0.214 20 0 BCADHN O=C(N[C@@H]1CCCCN(CCO)C1)C1CCC1 ZINC001034070986 712038963 /nfs/dbraw/zinc/03/89/63/712038963.db2.gz PEPOHWCBHQGJJA-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN CC[C@](C)(NC(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000702352190 712046562 /nfs/dbraw/zinc/04/65/62/712046562.db2.gz QQDMPFFZICDDGE-JQWIXIFHSA-N 0 3 227.352 0.570 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](N)CN(C)C)CCS1 ZINC000702393462 712050378 /nfs/dbraw/zinc/05/03/78/712050378.db2.gz DRPPBRGNOKRSGN-ZJUUUORDSA-N 0 3 245.392 0.229 20 0 BCADHN CCC(CC)NC(=O)[C@@H](N)CN(C)C ZINC000702370143 712048716 /nfs/dbraw/zinc/04/87/16/712048716.db2.gz LZSLLOWJUPXHAR-VIFPVBQESA-N 0 3 201.314 0.180 20 0 BCADHN CCC[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702367363 712048761 /nfs/dbraw/zinc/04/87/61/712048761.db2.gz FCWUCRRKUKRTPD-BDAKNGLRSA-N 0 3 201.314 0.180 20 0 BCADHN Cc1ccc(NC(=O)[C@@H](N)CN(C)C)cc1F ZINC000702375715 712049361 /nfs/dbraw/zinc/04/93/61/712049361.db2.gz QHFGJHSCEVWTHP-NSHDSACASA-N 0 3 239.294 0.962 20 0 BCADHN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702371688 712049503 /nfs/dbraw/zinc/04/95/03/712049503.db2.gz LMQJCUWQPPLIIU-AXFHLTTASA-N 0 3 229.368 0.816 20 0 BCADHN COCC[C@@H](N)C(=O)N[C@]1(C)CC1(C)C ZINC000702414298 712051485 /nfs/dbraw/zinc/05/14/85/712051485.db2.gz VFZYVPZOPKMXCA-LDYMZIIASA-N 0 3 214.309 0.655 20 0 BCADHN CCS(=O)(=O)N1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000702405008 712050556 /nfs/dbraw/zinc/05/05/56/712050556.db2.gz JOQWGDYYOOUOBF-VHSXEESVSA-N 0 3 232.349 0.220 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NCCn1cncn1 ZINC000704438516 712108073 /nfs/dbraw/zinc/10/80/73/712108073.db2.gz BMJWAJAOOOWLRD-SNVBAGLBSA-N 0 3 239.323 0.158 20 0 BCADHN CCCCN(C(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000705276192 712127249 /nfs/dbraw/zinc/12/72/49/712127249.db2.gz JQXUTVUEAMZLHZ-NSHDSACASA-N 0 3 227.352 0.666 20 0 BCADHN O=C(C1CC1)N1CCC2(CN(CCO)C2)CC1 ZINC001035634681 712138553 /nfs/dbraw/zinc/13/85/53/712138553.db2.gz XBKDVDNHSRUUGT-UHFFFAOYSA-N 0 3 238.331 0.313 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@@H]1CCCC12CC2 ZINC000706224190 712142104 /nfs/dbraw/zinc/14/21/04/712142104.db2.gz ACFKUNHNOPUOGV-QWRGUYRKSA-N 0 3 239.363 0.572 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC[C@@H]1CC=CCC1 ZINC000706862005 712157159 /nfs/dbraw/zinc/15/71/59/712157159.db2.gz LRGIMTLQWPOMGG-NEPJUHHUSA-N 0 3 239.363 0.738 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@@H](N)CC1CC1 ZINC000707275929 712167260 /nfs/dbraw/zinc/16/72/60/712167260.db2.gz GHDNZTSTPYTHSS-VIFPVBQESA-N 0 3 228.292 0.135 20 0 BCADHN COC1(OC)CC[C@H]1NCCc1nc(C)no1 ZINC000710954678 712267727 /nfs/dbraw/zinc/26/77/27/712267727.db2.gz OXRPNHQENSCBSN-SECBINFHSA-N 0 3 241.291 0.662 20 0 BCADHN CC[S@@](=O)CCN[C@@H]1CCC1(OC)OC ZINC000710960157 712268241 /nfs/dbraw/zinc/26/82/41/712268241.db2.gz MVEBMBOFMOPYQN-RFAUZJTJSA-N 0 3 235.349 0.496 20 0 BCADHN COC1(OC)CC[C@H]1NCCNC(=O)C1CC1 ZINC000710965331 712269657 /nfs/dbraw/zinc/26/96/57/712269657.db2.gz YHEMFZIVQRNTEK-SNVBAGLBSA-N 0 3 242.319 0.254 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000711869984 712337255 /nfs/dbraw/zinc/33/72/55/712337255.db2.gz QFMJOQFWXQMJPK-SRVKXCTJSA-N 0 3 240.347 0.461 20 0 BCADHN CO[C@@H](CNCCS(C)(=O)=O)C1CC1 ZINC000378747975 712358907 /nfs/dbraw/zinc/35/89/07/712358907.db2.gz MUKNTPDVTGAJPN-VIFPVBQESA-N 0 3 221.322 0.046 20 0 BCADHN CSC[C@@H](C)NC(=O)[C@H](N)CC1CC1 ZINC000379501180 712386158 /nfs/dbraw/zinc/38/61/58/712386158.db2.gz JYDJTGYAOSCWGU-VXNVDRBHSA-N 0 3 216.350 0.982 20 0 BCADHN CS[C@@H](C)CNC(=O)[C@H](N)CC1CC1 ZINC000379514472 712386698 /nfs/dbraw/zinc/38/66/98/712386698.db2.gz WKBGNQYSYGEKKA-IONNQARKSA-N 0 3 216.350 0.982 20 0 BCADHN COCCOCCN(C)CCC(C)=O ZINC000379593370 712389981 /nfs/dbraw/zinc/38/99/81/712389981.db2.gz BPKANZWFQBVUGL-UHFFFAOYSA-N 0 3 203.282 0.560 20 0 BCADHN COc1ccc(CN[C@@H](CO)C2CC2)nc1 ZINC000390480956 712419042 /nfs/dbraw/zinc/41/90/42/712419042.db2.gz MTYNJHRIYUSINJ-LBPRGKRZSA-N 0 3 222.288 0.951 20 0 BCADHN CN(C[C@@H]1CCC2(CCC2)O1)[C@@H]1COC[C@H]1O ZINC000712525655 712440852 /nfs/dbraw/zinc/44/08/52/712440852.db2.gz UWKJADLECKQVJE-QJPTWQEYSA-N 0 3 241.331 0.780 20 0 BCADHN Cc1nc(CNC[C@H]2CCN2C)[nH]c1C ZINC000712572388 712447366 /nfs/dbraw/zinc/44/73/66/712447366.db2.gz NPPLAIGXAHYGSJ-SNVBAGLBSA-N 0 3 208.309 0.820 20 0 BCADHN Cn1cccc1CN[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714252399 712480742 /nfs/dbraw/zinc/48/07/42/712480742.db2.gz LCMHISAWVKFQNI-HOMQSWHASA-N 0 3 242.344 0.690 20 0 BCADHN CCCn1cc(CNCC2(N(C)C)CC2)nn1 ZINC000714486314 712491546 /nfs/dbraw/zinc/49/15/46/712491546.db2.gz HLUXVCSHHXJVHE-UHFFFAOYSA-N 0 3 237.351 0.872 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccccc1C(=O)NC ZINC000036871427 712506660 /nfs/dbraw/zinc/50/66/60/712506660.db2.gz FEAIOEOPZFZUJQ-SECBINFHSA-N 0 3 235.287 0.722 20 0 BCADHN CN(C[C@H]1CC[C@H](C2CC2)O1)[C@@H]1COC[C@H]1O ZINC000715401892 712517047 /nfs/dbraw/zinc/51/70/47/712517047.db2.gz KGGYQVVXTLCDHF-FDYHWXHSSA-N 0 3 241.331 0.636 20 0 BCADHN OCCN(CCO)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715533878 712526131 /nfs/dbraw/zinc/52/61/31/712526131.db2.gz JUCQUTJUNDBSNA-VXGBXAGGSA-N 0 3 229.320 0.231 20 0 BCADHN CC(C)(O)C1CCN(CCn2cncn2)CC1 ZINC000716412276 712559399 /nfs/dbraw/zinc/55/93/99/712559399.db2.gz FXNUDQKJNZYLJY-UHFFFAOYSA-N 0 3 238.335 0.761 20 0 BCADHN CCS(=O)(=O)CCN[C@H](C)COC ZINC000037370431 712578048 /nfs/dbraw/zinc/57/80/48/712578048.db2.gz VQFVEFLRFOCAIS-MRVPVSSYSA-N 0 3 209.311 0.046 20 0 BCADHN Cn1cnc(CNC[C@H]2CC[C@H](O)C2)c1 ZINC000379835112 712615412 /nfs/dbraw/zinc/61/54/12/712615412.db2.gz FAANNIYYDXWYMX-ONGXEEELSA-N 0 3 209.293 0.671 20 0 BCADHN CC(C)n1cc(CNC[C@@H](O)[C@@H](C)O)cn1 ZINC000717310428 712646153 /nfs/dbraw/zinc/64/61/53/712646153.db2.gz WKVAWZWYPLLRSX-MWLCHTKSSA-N 0 3 227.308 0.295 20 0 BCADHN CC(C)n1cc(CNC[C@@H](O)[C@H](C)O)cn1 ZINC000717310426 712646258 /nfs/dbraw/zinc/64/62/58/712646258.db2.gz WKVAWZWYPLLRSX-GXSJLCMTSA-N 0 3 227.308 0.295 20 0 BCADHN CCOc1cccc(CNC[C@@H](O)[C@H](C)O)c1 ZINC000717397345 712654152 /nfs/dbraw/zinc/65/41/52/712654152.db2.gz RLFCNPZHPCCZRN-GXFFZTMASA-N 0 3 239.315 0.917 20 0 BCADHN Cn1cnc(CN[C@H](CO)C2CCC2)c1 ZINC000717593047 712661501 /nfs/dbraw/zinc/66/15/01/712661501.db2.gz HVLBWNQKLUOTFB-LLVKDONJSA-N 0 3 209.293 0.671 20 0 BCADHN CC1(C)CN(C(=O)COC2CC2)CCN1 ZINC000717677554 712664029 /nfs/dbraw/zinc/66/40/29/712664029.db2.gz IFFKONWUWWQXFR-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN CC(C)(C[NH3+])[N-]S(=O)(=O)c1ccns1 ZINC000717726807 712667706 /nfs/dbraw/zinc/66/77/06/712667706.db2.gz ZETYOMONOVIHBU-UHFFFAOYSA-N 0 3 235.334 0.159 20 0 BCADHN C[C@@H](N[C@@H](CO)C1CC1)c1cnccn1 ZINC000389964673 712692568 /nfs/dbraw/zinc/69/25/68/712692568.db2.gz WZTDYVNYNXTEMV-KCJUWKMLSA-N 0 3 207.277 0.898 20 0 BCADHN Cc1cc(N[C@@H]2CCS[C@H]2C)nc(N)n1 ZINC000380179338 712706204 /nfs/dbraw/zinc/70/62/04/712706204.db2.gz LJFADPNOPLQDRB-JGVFFNPUSA-N 0 3 224.333 0.925 20 0 BCADHN Cc1noc(C)c1CN(C)C(=O)[C@@H](C)N ZINC000037819146 712764875 /nfs/dbraw/zinc/76/48/75/712764875.db2.gz XEIZVAFHBMMIBQ-ZCFIWIBFSA-N 0 3 211.265 0.597 20 0 BCADHN Cc1nc(N)nc(N[C@@H]2CCN(C)[C@H]2C)n1 ZINC000719350363 712805376 /nfs/dbraw/zinc/80/53/76/712805376.db2.gz SPLLUDFEYRMPBM-POYBYMJQSA-N 0 3 222.296 0.267 20 0 BCADHN CC(C)NC(=S)N[C@H]1CCN(C)[C@H]1C ZINC000719368196 712805965 /nfs/dbraw/zinc/80/59/65/712805965.db2.gz USVOCDCCLIZBKB-IUCAKERBSA-N 0 3 215.366 0.952 20 0 BCADHN C[C@@H]1[C@H](NC(=O)N2CCCC2)CCN1C ZINC000719374369 712806371 /nfs/dbraw/zinc/80/63/71/712806371.db2.gz SFRGEHUJXRPVBM-NXEZZACHSA-N 0 3 211.309 0.884 20 0 BCADHN CCCOCC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000719434494 712807302 /nfs/dbraw/zinc/80/73/02/712807302.db2.gz JOZUEVONJMMVPQ-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CCn1cc(CN[C@H]2CCN(C)[C@@H]2C)nn1 ZINC000719573018 712811648 /nfs/dbraw/zinc/81/16/48/712811648.db2.gz WHUNVRBCEDSRLD-KOLCDFICSA-N 0 3 223.324 0.480 20 0 BCADHN Cc1c[nH]c(CN[C@H]2CCN(C)[C@H]2C)n1 ZINC000719569049 712809892 /nfs/dbraw/zinc/80/98/92/712809892.db2.gz HEOLSQPHFRSJMO-UWVGGRQHSA-N 0 3 208.309 0.900 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@H](C(C)(C)O)C1 ZINC000719641322 712819706 /nfs/dbraw/zinc/81/97/06/712819706.db2.gz JCCXKICQXQPDCB-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](CO)N(C)CCc1ccns1 ZINC000719844256 712825436 /nfs/dbraw/zinc/82/54/36/712825436.db2.gz HPJHVLSXLAGGMG-QMMMGPOBSA-N 0 3 200.307 0.998 20 0 BCADHN COC(=O)CCN1CCO[C@@H](C)CC1 ZINC000720425934 712841707 /nfs/dbraw/zinc/84/17/07/712841707.db2.gz NAUDXZZGXGMPCD-VIFPVBQESA-N 0 3 201.266 0.660 20 0 BCADHN CC(C)OC[C@H](O)CN1CCO[C@H](C)CC1 ZINC000720424799 712841762 /nfs/dbraw/zinc/84/17/62/712841762.db2.gz BUUVWZVGJWKWMH-VXGBXAGGSA-N 0 3 231.336 0.883 20 0 BCADHN CON(C)C(=O)CCN[C@H](C)c1cn[nH]c1 ZINC000381352649 710627262 /nfs/dbraw/zinc/62/72/62/710627262.db2.gz CEIIMZFZJUWKEL-MRVPVSSYSA-N 0 3 226.280 0.470 20 0 BCADHN NC(C(=O)NCc1ccon1)C(F)(F)F ZINC000381500044 710648311 /nfs/dbraw/zinc/64/83/11/710648311.db2.gz CNTAZGPSJUVKGV-RXMQYKEDSA-N 0 3 223.154 0.180 20 0 BCADHN Cn1cncc1CNC[C@@H](O)c1ccco1 ZINC000381602262 710661277 /nfs/dbraw/zinc/66/12/77/710661277.db2.gz OKJMGJXPTLPQEH-SNVBAGLBSA-N 0 3 221.260 0.836 20 0 BCADHN Cc1nc(C(=O)N2CC[C@H](NCCF)C2)co1 ZINC001018759106 710669653 /nfs/dbraw/zinc/66/96/53/710669653.db2.gz NNJCWUXZJJCPAQ-VIFPVBQESA-N 0 3 241.266 0.757 20 0 BCADHN Cn1cncc1C(=O)NC[C@@H]1CCN1CC1CC1 ZINC001038470766 710687592 /nfs/dbraw/zinc/68/75/92/710687592.db2.gz OKAZDNCHFUBDPP-NSHDSACASA-N 0 3 248.330 0.634 20 0 BCADHN CC(C)CN1CC[C@H]1CNC(=O)c1cccnn1 ZINC001038835838 710710785 /nfs/dbraw/zinc/71/07/85/710710785.db2.gz CJOGGHVBLCCRGY-NSHDSACASA-N 0 3 248.330 0.937 20 0 BCADHN COc1ccncc1CNC[C@@H](O)C1CC1 ZINC000393798985 710752893 /nfs/dbraw/zinc/75/28/93/710752893.db2.gz NIMHDFHXZDBCQU-LLVKDONJSA-N 0 3 222.288 0.951 20 0 BCADHN CN(C)CCONC(=O)c1cccn1C ZINC000382081196 710774198 /nfs/dbraw/zinc/77/41/98/710774198.db2.gz ILUSDDBRGLALHU-UHFFFAOYSA-N 0 3 211.265 0.248 20 0 BCADHN CCc1nnsc1C(=O)NOCCN(C)C ZINC000382083432 710775007 /nfs/dbraw/zinc/77/50/07/710775007.db2.gz JBFOHXONJOSHMC-UHFFFAOYSA-N 0 3 244.320 0.324 20 0 BCADHN CC(=O)N1CCC[C@H]1CNCc1ccnn1C ZINC001044889740 710830141 /nfs/dbraw/zinc/83/01/41/710830141.db2.gz JYRMPTMYPFYMGL-LBPRGKRZSA-N 0 3 236.319 0.521 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cnn(C)c2)C1 ZINC001046132096 710851248 /nfs/dbraw/zinc/85/12/48/710851248.db2.gz BRTWZUMYRPLNBF-LBPRGKRZSA-N 0 3 236.319 0.634 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046295722 710858370 /nfs/dbraw/zinc/85/83/70/710858370.db2.gz DXZAOYNZECLGFL-LLVKDONJSA-N 0 3 237.307 0.029 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046295723 710858476 /nfs/dbraw/zinc/85/84/76/710858476.db2.gz DXZAOYNZECLGFL-NSHDSACASA-N 0 3 237.307 0.029 20 0 BCADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047281464 710870692 /nfs/dbraw/zinc/87/06/92/710870692.db2.gz XBDPENIIQQYLSM-QWRGUYRKSA-N 0 3 226.320 0.310 20 0 BCADHN O=C(C(F)F)N1CCC[C@@H]2[C@@H]1CCN2CCO ZINC001049269384 710898652 /nfs/dbraw/zinc/89/86/52/710898652.db2.gz UDSDZPBMMAGZFQ-BDAKNGLRSA-N 0 3 248.273 0.309 20 0 BCADHN Cc1ccc(CCNCCS(C)(=O)=O)nc1 ZINC000399794083 710912731 /nfs/dbraw/zinc/91/27/31/710912731.db2.gz MRIARNYPQCNWSF-UHFFFAOYSA-N 0 3 242.344 0.567 20 0 BCADHN CCC[N@@H+]1CC[C@H](CNC(=O)c2cnn[n-]2)C1 ZINC000053409016 710916839 /nfs/dbraw/zinc/91/68/39/710916839.db2.gz DBHGXJSGTNBYEK-SECBINFHSA-N 0 3 237.307 0.266 20 0 BCADHN CCC[N@H+]1CC[C@H](CNC(=O)c2cnn[n-]2)C1 ZINC000053409016 710916841 /nfs/dbraw/zinc/91/68/41/710916841.db2.gz DBHGXJSGTNBYEK-SECBINFHSA-N 0 3 237.307 0.266 20 0 BCADHN CCC(=O)N1C[C@H](C)[C@H](NCCF)C1 ZINC001054309118 710926865 /nfs/dbraw/zinc/92/68/65/710926865.db2.gz TYSAGHQSJHKMAI-DTWKUNHWSA-N 0 3 202.273 0.802 20 0 BCADHN C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1NCCF ZINC001054438260 710934835 /nfs/dbraw/zinc/93/48/35/710934835.db2.gz NACUIXWADBZEGL-WCBMZHEXSA-N 0 3 240.282 0.429 20 0 BCADHN C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1NCCF ZINC001054634047 710940771 /nfs/dbraw/zinc/94/07/71/710940771.db2.gz JFRDZSZPOCGONU-BDAKNGLRSA-N 0 3 240.282 0.429 20 0 BCADHN COc1ccc(C(=O)NOCCN(C)C)cn1 ZINC000383064402 710976509 /nfs/dbraw/zinc/97/65/09/710976509.db2.gz DKIJEHLPFDVCMO-UHFFFAOYSA-N 0 3 239.275 0.313 20 0 BCADHN COc1ccccc1C(=O)NOCCN(C)C ZINC000383082258 710978176 /nfs/dbraw/zinc/97/81/76/710978176.db2.gz JEDVSVIIGZEYPG-UHFFFAOYSA-N 0 3 238.287 0.918 20 0 BCADHN CN1CCC[C@H]1CSc1nc(N)cc(N)n1 ZINC000386677229 711035167 /nfs/dbraw/zinc/03/51/67/711035167.db2.gz WLUAGOKDDRXGIU-ZETCQYMHSA-N 0 3 239.348 0.658 20 0 BCADHN CC[C@@H](Nc1cc(C)nc(N)n1)[C@@H](C)O ZINC000386690196 711035208 /nfs/dbraw/zinc/03/52/08/711035208.db2.gz KGHMZMBJMXSOQS-HTQZYQBOSA-N 0 3 210.281 0.191 20 0 BCADHN Cc1cc(C)n(CCn2cc([C@@H](C)N)nn2)n1 ZINC000386753725 711035876 /nfs/dbraw/zinc/03/58/76/711035876.db2.gz HAKMHJMFBGNRJB-SNVBAGLBSA-N 0 3 234.307 0.811 20 0 BCADHN COC(CN1CC[C@@H](O)C(C)(C)C1)OC ZINC000389412067 711078014 /nfs/dbraw/zinc/07/80/14/711078014.db2.gz QGHVKTZFFPCMKD-SECBINFHSA-N 0 3 217.309 0.698 20 0 BCADHN CCCN(C/C=C\C(=O)OCC)CCO ZINC000389563082 711080084 /nfs/dbraw/zinc/08/00/84/711080084.db2.gz KHKPBGZZLQDTKU-WAYWQWQTSA-N 0 3 215.293 0.810 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000390370807 711113945 /nfs/dbraw/zinc/11/39/45/711113945.db2.gz VTRBYDTWGMERQP-SNVBAGLBSA-N 0 3 222.292 0.131 20 0 BCADHN Cc1cc(NC[C@@H](C)C[C@@H](C)O)nc(N)n1 ZINC000390358223 711114104 /nfs/dbraw/zinc/11/41/04/711114104.db2.gz QXLCGYSZDFDDJS-IONNQARKSA-N 0 3 224.308 0.438 20 0 BCADHN C[C@H](NCCN1CCOC1=O)c1cn[nH]c1 ZINC000390489701 711120225 /nfs/dbraw/zinc/12/02/25/711120225.db2.gz PWKHJOXQZYVEFH-QMMMGPOBSA-N 0 3 224.264 0.513 20 0 BCADHN Cn1cncc1CNCc1cc[nH]c(=O)c1 ZINC000392810003 711151560 /nfs/dbraw/zinc/15/15/60/711151560.db2.gz XBERKFPTXGTMNE-UHFFFAOYSA-N 0 3 218.260 0.811 20 0 BCADHN O=c1cc(NCCN2CC=CCC2)nc[nH]1 ZINC000392859305 711153194 /nfs/dbraw/zinc/15/31/94/711153194.db2.gz LVOWEBKUPVLNPE-UHFFFAOYSA-N 0 3 220.276 0.856 20 0 BCADHN Cc1ncccc1C(=O)NOCCN(C)C ZINC000393412414 711159376 /nfs/dbraw/zinc/15/93/76/711159376.db2.gz JPFDHMRCGKORJS-UHFFFAOYSA-N 0 3 223.276 0.613 20 0 BCADHN Cc1nc(C)c(C(=O)NOCCN(C)C)o1 ZINC000393413220 711159550 /nfs/dbraw/zinc/15/95/50/711159550.db2.gz JXIXGKQYVZMCRQ-UHFFFAOYSA-N 0 3 227.264 0.514 20 0 BCADHN CN(C)CCONC(=O)c1cccc(Cl)n1 ZINC000393521691 711161674 /nfs/dbraw/zinc/16/16/74/711161674.db2.gz QJNXRXMXHHVJRZ-UHFFFAOYSA-N 0 3 243.694 0.958 20 0 BCADHN CN1CC[C@@H](N[C@H]2CCn3ccnc32)C1 ZINC000393536279 711162920 /nfs/dbraw/zinc/16/29/20/711162920.db2.gz XWPNBCOGITWPQF-ZJUUUORDSA-N 0 3 206.293 0.622 20 0 BCADHN CSCCCNC(=O)[C@H](N)CC1CC1 ZINC000393681436 711169874 /nfs/dbraw/zinc/16/98/74/711169874.db2.gz FKHLQMCDVNIGNA-SECBINFHSA-N 0 3 216.350 0.983 20 0 BCADHN C[C@@H]([NH3+])CC(=O)[N-]O[C@H]1CCCCO1 ZINC000393729565 711171813 /nfs/dbraw/zinc/17/18/13/711171813.db2.gz FSSTYTKVCPRHCJ-APPZFPTMSA-N 0 3 202.254 0.298 20 0 BCADHN C[C@H](Cn1ccnc1)NC(=O)[C@H](N)CC1CC1 ZINC000393847508 711177089 /nfs/dbraw/zinc/17/70/89/711177089.db2.gz HFNXUDSOXGULKL-MWLCHTKSSA-N 0 3 236.319 0.515 20 0 BCADHN CC1(C)SC[C@H]1NCCS(C)(=O)=O ZINC000393831236 711177145 /nfs/dbraw/zinc/17/71/45/711177145.db2.gz JKLJLVWMJDOVGI-SSDOTTSWSA-N 0 3 223.363 0.515 20 0 BCADHN Cc1cc(C(=O)NOCCN(C)C)ccc1O ZINC000393931322 711179463 /nfs/dbraw/zinc/17/94/63/711179463.db2.gz JSQBWKGRGPZDJO-UHFFFAOYSA-N 0 3 238.287 0.924 20 0 BCADHN C[C@@H]1CC[C@@H](NC(=O)CC2CC2)CN1CCO ZINC001071309496 711187684 /nfs/dbraw/zinc/18/76/84/711187684.db2.gz BBUAUEKRVGRVEL-ZYHUDNBSSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@H]1C[C@@H](C)O[C@@H]1C ZINC000394962772 711200286 /nfs/dbraw/zinc/20/02/86/711200286.db2.gz FQUKDFJMOHEAQX-MXWKQRLJSA-N 0 3 249.376 0.965 20 0 BCADHN O=C1NCCN1CCNCc1cccc(O)c1 ZINC000395058116 711201033 /nfs/dbraw/zinc/20/10/33/711201033.db2.gz QKVKROCTIYQVQS-UHFFFAOYSA-N 0 3 235.287 0.507 20 0 BCADHN C[C@@H]1C[C@H](NCCS(C)(=O)=O)[C@H](C)O1 ZINC000395163064 711204008 /nfs/dbraw/zinc/20/40/08/711204008.db2.gz ODEDWQXXOMQWCX-VGMNWLOBSA-N 0 3 221.322 0.187 20 0 BCADHN C[C@]1(c2nc(Cn3cccn3)no2)CCCN1 ZINC000395970910 711218317 /nfs/dbraw/zinc/21/83/17/711218317.db2.gz VNMHPGHPBMOCBJ-LLVKDONJSA-N 0 3 233.275 0.913 20 0 BCADHN CC[C@@](C)(CNCC(=O)N(C)OC)OC ZINC000397532456 711385569 /nfs/dbraw/zinc/38/55/69/711385569.db2.gz JPTDPTJVVZDYJE-JTQLQIEISA-N 0 3 218.297 0.411 20 0 BCADHN Cc1cc(NC[C@H]2CC[C@@H](C)O2)nc(N)n1 ZINC000397950576 711398254 /nfs/dbraw/zinc/39/82/54/711398254.db2.gz OXWNYVXQZREPIW-RKDXNWHRSA-N 0 3 222.292 0.599 20 0 BCADHN CN(CC[S@](C)=O)C[C@@H]1CCC[C@@H]1O ZINC000398815398 711416342 /nfs/dbraw/zinc/41/63/42/711416342.db2.gz ALOBMJSKYZMNRV-BHDSKKPTSA-N 0 3 219.350 0.458 20 0 BCADHN COc1cc(CN[C@H]2CCN(C)C2)sn1 ZINC000399082497 711420914 /nfs/dbraw/zinc/42/09/14/711420914.db2.gz SWRUDNSROPOHGG-QMMMGPOBSA-N 0 3 227.333 0.945 20 0 BCADHN CN(CC[S@](C)=O)C[C@@H]1CCCC[C@H]1O ZINC000399115614 711421069 /nfs/dbraw/zinc/42/10/69/711421069.db2.gz XNJVGBZEFPBAGH-RWSFTLGLSA-N 0 3 233.377 0.848 20 0 BCADHN COC[C@@H](O)CNCc1cc(OC)ns1 ZINC000399161912 711423153 /nfs/dbraw/zinc/42/31/53/711423153.db2.gz JAUKCHVCTSDHDZ-ZETCQYMHSA-N 0 3 232.305 0.249 20 0 BCADHN C/C=C/C(=O)N[C@@H]1CCCN(CCOC)C1 ZINC000399395284 711429084 /nfs/dbraw/zinc/42/90/84/711429084.db2.gz PPRNGBQEZLTFKU-JOAKQRRISA-N 0 3 226.320 0.790 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1Cc1ccc(N)nc1 ZINC000399415731 711429295 /nfs/dbraw/zinc/42/92/95/711429295.db2.gz LZLHDVGQJWVVFF-KOLCDFICSA-N 0 3 221.304 0.839 20 0 BCADHN COC[C@H](C)N1CCCO[C@H](CNC(C)=O)C1 ZINC001073506665 711440430 /nfs/dbraw/zinc/44/04/30/711440430.db2.gz XBPVJKYCXFLTNQ-CMPLNLGQSA-N 0 3 244.335 0.248 20 0 BCADHN CCN1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001073734377 711440447 /nfs/dbraw/zinc/44/04/47/711440447.db2.gz TXGITVRVNAEAJP-IJLUTSLNSA-N 0 3 240.347 0.869 20 0 BCADHN CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(CCCO)C1 ZINC001010651530 710594137 /nfs/dbraw/zinc/59/41/37/710594137.db2.gz QHKYGUBSHBMTTD-GHMZBOCLSA-N 0 3 240.347 0.605 20 0 BCADHN CCN1CCC[C@H]1CNCc1cnn(C)n1 ZINC000380987857 710596718 /nfs/dbraw/zinc/59/67/18/710596718.db2.gz DKSLIUNTMYYRNA-NSHDSACASA-N 0 3 223.324 0.389 20 0 BCADHN Cc1cc([C@@H](C)NCCOCCO)n(C)n1 ZINC000381304930 710618999 /nfs/dbraw/zinc/61/89/99/710618999.db2.gz JHCBJFKFMCACAB-SNVBAGLBSA-N 0 3 227.308 0.388 20 0 BCADHN CO[C@H](C)CNC1(CO)COC(C)(C)OC1 ZINC000381345648 710625033 /nfs/dbraw/zinc/62/50/33/710625033.db2.gz YXQCQVBETLKWIM-SECBINFHSA-N 0 3 233.308 0.125 20 0 BCADHN CC[C@H](NCc1cnn(C)n1)[C@@H]1CCOC1 ZINC000381364092 710628400 /nfs/dbraw/zinc/62/84/00/710628400.db2.gz GISCUQNCLQWRTI-KOLCDFICSA-N 0 3 224.308 0.720 20 0 BCADHN c1n[nH]cc1CNC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724596950 710741948 /nfs/dbraw/zinc/74/19/48/710741948.db2.gz YURDUDGUUSIXFB-VWYCJHECSA-N 0 3 223.276 0.303 20 0 BCADHN C[C@]1(NC(=O)c2cc[nH]c2)CCN(CCO)C1 ZINC001046343515 710860517 /nfs/dbraw/zinc/86/05/17/710860517.db2.gz ZEOQYEUFTKPRFI-LBPRGKRZSA-N 0 3 237.303 0.201 20 0 BCADHN C[C@H]1CN(C(=O)c2ccon2)C[C@H]1NCCF ZINC001054447090 710934742 /nfs/dbraw/zinc/93/47/42/710934742.db2.gz WKPXFLABWIOIQL-WCBMZHEXSA-N 0 3 241.266 0.694 20 0 BCADHN CN(CCCCO)c1ccnc(CO)c1 ZINC000384980400 711001920 /nfs/dbraw/zinc/00/19/20/711001920.db2.gz VEJYGKKMJHAINK-UHFFFAOYSA-N 0 3 210.277 0.783 20 0 BCADHN COC(=O)/C(C)=C/CN(C)CCCCO ZINC000384995887 711002758 /nfs/dbraw/zinc/00/27/58/711002758.db2.gz GOKZAIWLIMKUTP-UXBLZVDNSA-N 0 3 215.293 0.810 20 0 BCADHN COCC(COC)N1CCC(C(=O)OC)CC1 ZINC000385040327 711004311 /nfs/dbraw/zinc/00/43/11/711004311.db2.gz NOKXDRRZKZJSBP-UHFFFAOYSA-N 0 3 245.319 0.533 20 0 BCADHN CON(C)C(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000389975819 711102399 /nfs/dbraw/zinc/10/23/99/711102399.db2.gz FLXMEULTZRLICJ-BDAKNGLRSA-N 0 3 216.281 0.163 20 0 BCADHN CON(C)C(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000389975820 711102312 /nfs/dbraw/zinc/10/23/12/711102312.db2.gz FLXMEULTZRLICJ-DTWKUNHWSA-N 0 3 216.281 0.163 20 0 BCADHN COC1CC(N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC000392383495 711145201 /nfs/dbraw/zinc/14/52/01/711145201.db2.gz NTRFPISRXUDWNP-GVWIPJJGSA-N 0 3 210.281 0.941 20 0 BCADHN Cc1ccc(CN[C@@H]2CCN(C)C2)nn1 ZINC000396931031 711373048 /nfs/dbraw/zinc/37/30/48/711373048.db2.gz NWAQPWPCRJDCDX-LLVKDONJSA-N 0 3 206.293 0.579 20 0 BCADHN CC[C@@H](CN1CCC2(C1)OCCO2)OC ZINC000396973301 711373963 /nfs/dbraw/zinc/37/39/63/711373963.db2.gz HZDBCYMHNOHLHD-JTQLQIEISA-N 0 3 215.293 0.860 20 0 BCADHN CCOC[C@H](C)NCC(=O)N(C)OC ZINC000397464784 711382670 /nfs/dbraw/zinc/38/26/70/711382670.db2.gz GRXLTPPCJZCLCI-QMMMGPOBSA-N 0 3 204.270 0.021 20 0 BCADHN CCC[C@H](CNCC(=O)N(C)OC)OC ZINC000397526753 711385268 /nfs/dbraw/zinc/38/52/68/711385268.db2.gz IZQSNJNSFIVSNK-SECBINFHSA-N 0 3 218.297 0.411 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCc1cocn1 ZINC000397802193 711389736 /nfs/dbraw/zinc/38/97/36/711389736.db2.gz CTTOIBBGHFNTGV-VIFPVBQESA-N 0 3 211.265 0.664 20 0 BCADHN Cc1nc(NCC2([NH+](C)C)CC2)cc(=O)[n-]1 ZINC000397805009 711393281 /nfs/dbraw/zinc/39/32/81/711393281.db2.gz DMZAWZNUBNEZJU-UHFFFAOYSA-N 0 3 222.292 0.997 20 0 BCADHN Cc1cccc(CCNCCS(C)(=O)=O)n1 ZINC000399885660 711436711 /nfs/dbraw/zinc/43/67/11/711436711.db2.gz LRRGFLLOWDLNEL-UHFFFAOYSA-N 0 3 242.344 0.567 20 0 BCADHN CCOC(CN[C@@](C)(C(N)=O)C(C)C)OCC ZINC000383453263 711449384 /nfs/dbraw/zinc/44/93/84/711449384.db2.gz BAZZSGYIRWOODP-GFCCVEGCSA-N 0 3 246.351 0.875 20 0 BCADHN C[C@H]1C[C@H](NCc2cnc3n2CCOC3)CO1 ZINC000722827572 711475868 /nfs/dbraw/zinc/47/58/68/711475868.db2.gz PRKZXGWCJFPHIJ-UWVGGRQHSA-N 0 3 237.303 0.680 20 0 BCADHN C[C@H]1COC[C@H]1NCc1cnc2n1CCOC2 ZINC000722875949 711485358 /nfs/dbraw/zinc/48/53/58/711485358.db2.gz TXSORWKBOHVCAD-GXSJLCMTSA-N 0 3 237.303 0.538 20 0 BCADHN COC(=O)/C(C)=C/CN1CCC[C@]1(C)CO ZINC000723048267 711498075 /nfs/dbraw/zinc/49/80/75/711498075.db2.gz HEJGHUWOTWYRLK-SBKJXLNCSA-N 0 3 227.304 0.953 20 0 BCADHN CCCN1CC[C@@H]1CNC(=O)C1=COCCO1 ZINC001038038395 711505028 /nfs/dbraw/zinc/50/50/28/711505028.db2.gz XLOHMMDOSJPGGG-SNVBAGLBSA-N 0 3 240.303 0.475 20 0 BCADHN Cc1cc(N)nc(N2CCCN(C)CC2)n1 ZINC000891438735 711520613 /nfs/dbraw/zinc/52/06/13/711520613.db2.gz STRFTQJEKPEKKO-UHFFFAOYSA-N 0 3 221.308 0.509 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)[C@H]1CC[C@H]1OC ZINC000724222844 711571266 /nfs/dbraw/zinc/57/12/66/711571266.db2.gz CHVGUTSQCVIDQB-GARJFASQSA-N 0 3 245.319 0.410 20 0 BCADHN CCOC(=O)/C=C/CN(C)CC[C@H](C)O ZINC000135385104 711620671 /nfs/dbraw/zinc/62/06/71/711620671.db2.gz SLJFOCVGWFXRQD-PORFMDCZSA-N 0 3 215.293 0.808 20 0 BCADHN C=Cn1cc(CN[C@@H]2CC23CC(O)C3)cn1 ZINC000724954598 711634294 /nfs/dbraw/zinc/63/42/94/711634294.db2.gz ZDCABNQHHGIUBH-MOENNCHZSA-N 0 3 219.288 0.987 20 0 BCADHN Cc1cnn(C)c1CN[C@@H]1CC12CC(O)C2 ZINC000724988408 711641242 /nfs/dbraw/zinc/64/12/42/711641242.db2.gz ZOHRTQDLMSONGN-CKBZRRDASA-N 0 3 221.304 0.732 20 0 BCADHN COC[C@H](C)NC(=S)N1CCCN(C)CC1 ZINC000135746183 711660046 /nfs/dbraw/zinc/66/00/46/711660046.db2.gz UEIXMMQVGGGRCG-JTQLQIEISA-N 0 3 245.392 0.533 20 0 BCADHN C[C@H](O)CN1CCCC[C@H]1C1OCCO1 ZINC000725662911 711669207 /nfs/dbraw/zinc/66/92/07/711669207.db2.gz MWFDSVIJHFCUKK-UWVGGRQHSA-N 0 3 215.293 0.595 20 0 BCADHN C[C@H](NCCN1CCC1)c1cnnn1C ZINC000925604538 711704882 /nfs/dbraw/zinc/70/48/82/711704882.db2.gz LEHLLFRLLCGYDO-VIFPVBQESA-N 0 3 209.297 0.171 20 0 BCADHN COC/C(C)=C/CN1CCC(O)(CO)CC1 ZINC000930997599 711706338 /nfs/dbraw/zinc/70/63/38/711706338.db2.gz ZPQGWBTWZXBANJ-QDEBKDIKSA-N 0 3 229.320 0.398 20 0 BCADHN CC(C)[C@@](C)(CO)NCc1cnccn1 ZINC000398466432 711710294 /nfs/dbraw/zinc/71/02/94/711710294.db2.gz BVICAEWIIRFOSH-LLVKDONJSA-N 0 3 209.293 0.973 20 0 BCADHN C[C@@H](CNC(=O)[C@H](N)CC1CC1)C[C@H](C)O ZINC000398636490 711731425 /nfs/dbraw/zinc/73/14/25/711731425.db2.gz QOKSXHCFSOTBSJ-WCABBAIRSA-N 0 3 228.336 0.637 20 0 BCADHN C[C@@H](O)C[C@@H](C)CNCc1cnccn1 ZINC000398677020 711733098 /nfs/dbraw/zinc/73/30/98/711733098.db2.gz KRZJUNMTYXJLRE-NXEZZACHSA-N 0 3 209.293 0.973 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N(CC(C)(C)F)C1=O ZINC000925034478 711769698 /nfs/dbraw/zinc/76/96/98/711769698.db2.gz SAPZFLLSIZKMJQ-ZETCQYMHSA-N 0 3 231.271 0.217 20 0 BCADHN Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)nn1 ZINC000928432558 711772099 /nfs/dbraw/zinc/77/20/99/711772099.db2.gz QQWDPDPUABKAJD-VHSXEESVSA-N 0 3 234.303 0.607 20 0 BCADHN CC(=O)OC(C)(C)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928438062 711772399 /nfs/dbraw/zinc/77/23/99/711772399.db2.gz MCRYZCBCBFEXLH-SCZZXKLOSA-N 0 3 242.319 0.537 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2ccn(C)n2)CCN1C ZINC000928448378 711772599 /nfs/dbraw/zinc/77/25/99/711772599.db2.gz NWNDOEDVIAQULJ-IUCAKERBSA-N 0 3 222.292 0.243 20 0 BCADHN CC[C@H]1CCN(C(=O)[C@@H](N)CCOC)C1 ZINC000166154976 711779268 /nfs/dbraw/zinc/77/92/68/711779268.db2.gz ODJCCGOZKOHFAC-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@@H](NCC1(C)CC1)C1N=NC(=O)N1C ZINC000895175495 711779537 /nfs/dbraw/zinc/77/95/37/711779537.db2.gz MSENQVWDXUKRGQ-SSDOTTSWSA-N 0 3 210.281 0.971 20 0 BCADHN CCN1C[C@@H]2CCN(C(=O)c3n[nH]nc3C)[C@@H]2C1 ZINC001076119312 711804455 /nfs/dbraw/zinc/80/44/55/711804455.db2.gz JSFOUSDXJDVCGF-VHSXEESVSA-N 0 3 249.318 0.279 20 0 BCADHN CCN1C[C@@H]2CCN(C(=O)c3cnon3)[C@@H]2C1 ZINC001076378008 711805170 /nfs/dbraw/zinc/80/51/70/711805170.db2.gz PRNDCTMSVYJPIC-WCBMZHEXSA-N 0 3 236.275 0.236 20 0 BCADHN CCN1C[C@@H]2CCN(C(=O)c3ccncn3)[C@@H]2C1 ZINC001076376651 711805179 /nfs/dbraw/zinc/80/51/79/711805179.db2.gz MDDBKVXYVIJSTN-CMPLNLGQSA-N 0 3 246.314 0.643 20 0 BCADHN CCN1C[C@@H]2CCN(C(=O)c3cccnn3)[C@@H]2C1 ZINC001076387750 711805302 /nfs/dbraw/zinc/80/53/02/711805302.db2.gz WJCFRBJQAIMDEC-CMPLNLGQSA-N 0 3 246.314 0.643 20 0 BCADHN CCCn1nccc1CNC[C@@H]1COCCO1 ZINC000160109693 711805846 /nfs/dbraw/zinc/80/58/46/711805846.db2.gz DWJCHMXEIITGDN-GFCCVEGCSA-N 0 3 239.319 0.798 20 0 BCADHN CC(C)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001076754902 711808483 /nfs/dbraw/zinc/80/84/83/711808483.db2.gz ZOENQQYIQHSLRY-NXEZZACHSA-N 0 3 214.309 0.212 20 0 BCADHN CCN1C[C@@H](O)[C@H](NC(=O)C=C2CCC2)C1 ZINC001076868826 711809750 /nfs/dbraw/zinc/80/97/50/711809750.db2.gz DPRINEULVNSOIC-GHMZBOCLSA-N 0 3 224.304 0.278 20 0 BCADHN C/C=C\C[C@@H](CO)NC(=O)[C@H](CC)N(C)C ZINC000907456962 711815434 /nfs/dbraw/zinc/81/54/34/711815434.db2.gz WEFRMYGDCMSOGI-MGVUPCTHSA-N 0 3 228.336 0.770 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H](O)c2ccccc2)[C@@H](C)CN1 ZINC000226117769 711830225 /nfs/dbraw/zinc/83/02/25/711830225.db2.gz PWXGEHKZASMBQT-GVXVVHGQSA-N 0 3 248.326 0.929 20 0 BCADHN COC[C@@H](CCO)Nc1cc(C)nc(N)n1 ZINC000228454775 711834793 /nfs/dbraw/zinc/83/47/93/711834793.db2.gz IRJPFTKCUPZBPG-MRVPVSSYSA-N 0 3 226.280 0.177 20 0 BCADHN Cc1cc(N[C@@H](C)CCCO)nc(N)n1 ZINC000087416326 711835349 /nfs/dbraw/zinc/83/53/49/711835349.db2.gz GTGWMCZFTHGHAO-ZETCQYMHSA-N 0 3 210.281 0.940 20 0 BCADHN CCN(CC)C(=O)CNC[C@@H](O)COC(C)C ZINC000228810780 711836756 /nfs/dbraw/zinc/83/67/56/711836756.db2.gz FAPKIHGWQSKYEI-LLVKDONJSA-N 0 3 246.351 0.230 20 0 BCADHN CCC(=O)N[C@H]1CCCN(CCO)[C@@H]1C ZINC000992930316 711861836 /nfs/dbraw/zinc/86/18/36/711861836.db2.gz XSCKJBHXLNAJRO-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN CO[C@H]([C@@H](C)Nc1cc(C)nc(N)n1)C1CC1 ZINC000388376377 711872753 /nfs/dbraw/zinc/87/27/53/711872753.db2.gz ZMESUAMDJQJZNU-LDYMZIIASA-N 0 3 236.319 0.845 20 0 BCADHN CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn[nH]1 ZINC001032291543 711910777 /nfs/dbraw/zinc/91/07/77/711910777.db2.gz MEOPJPRFLOTKCP-UWVGGRQHSA-N 0 3 234.303 0.718 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)NC1(CCO)CC1 ZINC000820433870 711923239 /nfs/dbraw/zinc/92/32/39/711923239.db2.gz LTNNRZMYXIWQOA-NSHDSACASA-N 0 3 240.347 0.890 20 0 BCADHN CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnoc1 ZINC001032582640 711927139 /nfs/dbraw/zinc/92/71/39/711927139.db2.gz IFQBAJPFSVTNLN-RYUDHWBXSA-N 0 3 249.314 0.911 20 0 BCADHN CC(C)CN1CC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001038077599 711930195 /nfs/dbraw/zinc/93/01/95/711930195.db2.gz PBENUQJWYHSZIU-JTQLQIEISA-N 0 3 236.319 0.870 20 0 BCADHN CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc[nH]1 ZINC001032724359 711934014 /nfs/dbraw/zinc/93/40/14/711934014.db2.gz SCBLCHLESBZRGC-UWVGGRQHSA-N 0 3 249.318 0.041 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2cocn2)C1 ZINC001032956504 711969580 /nfs/dbraw/zinc/96/95/80/711969580.db2.gz CUIBPYWJAVQBGN-SECBINFHSA-N 0 3 223.276 0.841 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@H](C)CC(F)F ZINC000700034187 711983552 /nfs/dbraw/zinc/98/35/52/711983552.db2.gz LYJZTCZSLSOOHH-SFYZADRCSA-N 0 3 238.278 0.758 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCN(CCCO)C1 ZINC001033327086 711983708 /nfs/dbraw/zinc/98/37/08/711983708.db2.gz BYOVCCXFSXQVQR-IJLUTSLNSA-N 0 3 240.347 0.558 20 0 BCADHN Cc1cc(N(C)Cc2cnccn2)nc(N)n1 ZINC000700057483 711985115 /nfs/dbraw/zinc/98/51/15/711985115.db2.gz DLITYGSWDPGEGF-UHFFFAOYSA-N 0 3 230.275 0.794 20 0 BCADHN CN1CCOC[C@@H]1CN[C@H]1CCc2cccnc21 ZINC000700133024 711986937 /nfs/dbraw/zinc/98/69/37/711986937.db2.gz YQSAIKLMIWUKRY-STQMWFEESA-N 0 3 247.342 0.989 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2ccnnc2)C1 ZINC001033444804 711991652 /nfs/dbraw/zinc/99/16/52/711991652.db2.gz LMLGBSMDBGKZAW-NSHDSACASA-N 0 3 234.303 0.643 20 0 BCADHN C[C@@H]1CCN(CC[S@](C)=O)C[C@@H]1CO ZINC000700394144 711991668 /nfs/dbraw/zinc/99/16/68/711991668.db2.gz RWMVONINFJVTFE-RULNRJAQSA-N 0 3 219.350 0.315 20 0 BCADHN CN(C(=O)[C@@H]1CC12CC2)[C@H]1CCN(CCO)C1 ZINC001033456652 711992481 /nfs/dbraw/zinc/99/24/81/711992481.db2.gz PDFYMKKXWJSTGZ-QWRGUYRKSA-N 0 3 238.331 0.312 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N[C@H]1C=CCC1 ZINC000700505258 711995504 /nfs/dbraw/zinc/99/55/04/711995504.db2.gz MSYOPYJKIZGNMV-BQBZGAKWSA-N 0 3 204.220 0.804 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1CCO[C@@H](CCF)C1 ZINC000700558667 711997178 /nfs/dbraw/zinc/99/71/78/711997178.db2.gz JRCPTFBVUHKOFP-WDEREUQCSA-N 0 3 244.310 0.701 20 0 BCADHN COC(=O)N(C)CCNCc1c[nH]nc1C ZINC000701668646 712026716 /nfs/dbraw/zinc/02/67/16/712026716.db2.gz KPESATKBGMJERY-UHFFFAOYSA-N 0 3 226.280 0.506 20 0 BCADHN CO[C@@H](CN)C(=O)NCC[C@@H]1CC1(F)F ZINC000701959189 712033266 /nfs/dbraw/zinc/03/32/66/712033266.db2.gz QVIDFHOLCVTLPE-RQJHMYQMSA-N 0 3 222.235 0.122 20 0 BCADHN CCC1(CNC(=O)[C@@H](N)CN(C)C)CCCC1 ZINC000702341112 712044732 /nfs/dbraw/zinc/04/47/32/712044732.db2.gz LCXMAGKKYRMIKS-NSHDSACASA-N 0 3 241.379 0.962 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCCC(C)(C)CC1 ZINC000702342447 712045706 /nfs/dbraw/zinc/04/57/06/712045706.db2.gz PSTMUUOWWSKCRZ-NSHDSACASA-N 0 3 241.379 0.914 20 0 BCADHN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H](N)CN(C)C ZINC000702322379 712047091 /nfs/dbraw/zinc/04/70/91/712047091.db2.gz GHLGAGPLJVBDGC-AXFHLTTASA-N 0 3 227.352 0.665 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccccc1 ZINC000702373727 712049037 /nfs/dbraw/zinc/04/90/37/712049037.db2.gz WEEXKMVCGAHATE-JTQLQIEISA-N 0 3 207.277 0.514 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCC1CCC1 ZINC000702377697 712049158 /nfs/dbraw/zinc/04/91/58/712049158.db2.gz HWDBRQRMVWQSGI-JTQLQIEISA-N 0 3 213.325 0.182 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC1CCCC1 ZINC000702382471 712049210 /nfs/dbraw/zinc/04/92/10/712049210.db2.gz AZGONBXEAUOBBW-JTQLQIEISA-N 0 3 213.325 0.182 20 0 BCADHN Cc1cccc(F)c1NC(=O)[C@@H](N)CN(C)C ZINC000702375453 712049645 /nfs/dbraw/zinc/04/96/45/712049645.db2.gz MYGINCIEGIPJAD-JTQLQIEISA-N 0 3 239.294 0.962 20 0 BCADHN CSC(C)(C)CNC(=O)[C@@H](N)CN(C)C ZINC000702406615 712050912 /nfs/dbraw/zinc/05/09/12/712050912.db2.gz AINSRMQEOUVHBT-QMMMGPOBSA-N 0 3 233.381 0.133 20 0 BCADHN CCN(C(=O)[C@@H](N)CN(C)C)c1ccccc1 ZINC000702415912 712051392 /nfs/dbraw/zinc/05/13/92/712051392.db2.gz DOSBORBRBRTPBG-LBPRGKRZSA-N 0 3 235.331 0.928 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCc2ccccc21 ZINC000702418215 712052278 /nfs/dbraw/zinc/05/22/78/712052278.db2.gz WEGWZMXQTRHRJA-NSHDSACASA-N 0 3 233.315 0.465 20 0 BCADHN CCN(Cc1ccccc1)C(=O)[C@@H](N)CN(C)C ZINC000702419233 712052516 /nfs/dbraw/zinc/05/25/16/712052516.db2.gz UUJQAPGNEXBSMM-ZDUSSCGKSA-N 0 3 249.358 0.924 20 0 BCADHN CO[C@](C)(CO)CN[C@@H]1CCCc2n[nH]cc21 ZINC000702531756 712055072 /nfs/dbraw/zinc/05/50/72/712055072.db2.gz LKQGVFKICDKZJJ-PWSUYJOCSA-N 0 3 239.319 0.774 20 0 BCADHN OCc1cnccc1N1CC2(C1)CCCO2 ZINC000702869742 712061300 /nfs/dbraw/zinc/06/13/00/712061300.db2.gz WCYGBMUZCLRXIA-UHFFFAOYSA-N 0 3 220.272 0.943 20 0 BCADHN COCC[C@@H](N)C(=O)N1CCCC[C@H](C)C1 ZINC000703282925 712069298 /nfs/dbraw/zinc/06/92/98/712069298.db2.gz LDGPAMAYRALYIO-WDEREUQCSA-N 0 3 228.336 0.999 20 0 BCADHN COC1CC(CN2CCN(C)C[C@H]2CO)C1 ZINC000703784980 712087877 /nfs/dbraw/zinc/08/78/77/712087877.db2.gz SYFBVIGMACGAAU-CXQJBGSLSA-N 0 3 228.336 0.020 20 0 BCADHN CCOC[C@H]1CCN(Cc2ccc(N)nn2)C1 ZINC000703926136 712095498 /nfs/dbraw/zinc/09/54/98/712095498.db2.gz IFVFWNYHMUFSKX-JTQLQIEISA-N 0 3 236.319 0.917 20 0 BCADHN C[C@@H]1CCN(C[C@@H]2CNC(=O)O2)C[C@H]1CO ZINC000704000589 712095707 /nfs/dbraw/zinc/09/57/07/712095707.db2.gz PAUKYIIVICGXDD-UTLUCORTSA-N 0 3 228.292 0.045 20 0 BCADHN CN(Cc1ccc(N)nn1)C[C@H]1CCCOC1 ZINC000703965157 712096979 /nfs/dbraw/zinc/09/69/79/712096979.db2.gz SQUJOFJILBLHSJ-SNVBAGLBSA-N 0 3 236.319 0.917 20 0 BCADHN CN1CCC[C@H](NC[C@H](O)c2ccccc2)C1=O ZINC000704310205 712103392 /nfs/dbraw/zinc/10/33/92/712103392.db2.gz MLPUUWILNNBKLI-STQMWFEESA-N 0 3 248.326 0.930 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@H]1CC12CCCCC2 ZINC000705399740 712130679 /nfs/dbraw/zinc/13/06/79/712130679.db2.gz OTBAHCUYUXWIOM-QWRGUYRKSA-N 0 3 239.363 0.714 20 0 BCADHN C[C@@H]1CCCC[C@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000705419457 712131294 /nfs/dbraw/zinc/13/12/94/712131294.db2.gz LUMPJBFRNMMVJK-WOPDTQHZSA-N 0 3 241.379 0.818 20 0 BCADHN CO[C@H]1C[C@H](Nc2cc(C)nc(N)n2)C1 ZINC000706605023 712150658 /nfs/dbraw/zinc/15/06/58/712150658.db2.gz HGXWASQJFHCBOR-ZKCHVHJHSA-N 0 3 208.265 0.957 20 0 BCADHN COC(=O)CCN1CCNC(=O)CC1(C)C ZINC000708144181 712183114 /nfs/dbraw/zinc/18/31/14/712183114.db2.gz LRRHKYFDUNXOGX-UHFFFAOYSA-N 0 3 228.292 0.150 20 0 BCADHN C[C@@H]1COC[C@H]1N[C@@H]1CCN(C2CCC2)C1=O ZINC000708660826 712196465 /nfs/dbraw/zinc/19/64/65/712196465.db2.gz TUQIWPBTQWTEPY-YUSALJHKSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H]1COC[C@@H]1N[C@H]1CCN(C2CCC2)C1=O ZINC000708660825 712196513 /nfs/dbraw/zinc/19/65/13/712196513.db2.gz TUQIWPBTQWTEPY-USWWRNFRSA-N 0 3 238.331 0.764 20 0 BCADHN COCC[C@@H](N)C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000708989793 712205387 /nfs/dbraw/zinc/20/53/87/712205387.db2.gz IBGDAFUOXZZGSR-GHMZBOCLSA-N 0 3 244.335 0.234 20 0 BCADHN CCC[C@H]1CN(C(=O)[C@H](N)CCOC)CCO1 ZINC000709054314 712206630 /nfs/dbraw/zinc/20/66/30/712206630.db2.gz LBERNPZOUFLLCR-WDEREUQCSA-N 0 3 244.335 0.378 20 0 BCADHN Cc1cc(N[C@@H]2CCN(C(C)C)C2=O)nc(N)n1 ZINC000709120212 712209354 /nfs/dbraw/zinc/20/93/54/712209354.db2.gz BEWITHZAPUPZJV-SECBINFHSA-N 0 3 249.318 0.788 20 0 BCADHN CC[C@@]1(O)CCCN(CC[S@@](C)=O)C1 ZINC000710569112 712250190 /nfs/dbraw/zinc/25/01/90/712250190.db2.gz UPCDIBXARZDPSH-QMTHXVAHSA-N 0 3 219.350 0.602 20 0 BCADHN Cc1nn(C)cc1CN[C@H]1COC[C@@H]1C ZINC000710880541 712260544 /nfs/dbraw/zinc/26/05/44/712260544.db2.gz DSLINWZDAJYFBQ-KWQFWETISA-N 0 3 209.293 0.853 20 0 BCADHN C[C@H]1COC[C@H]1NCC(=O)NC(C)(C)C ZINC000710882375 712261105 /nfs/dbraw/zinc/26/11/05/712261105.db2.gz IQOIWHPCVCTQAF-DTWKUNHWSA-N 0 3 214.309 0.526 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@H]1CO[C@@H](C)C1 ZINC000710992112 712272870 /nfs/dbraw/zinc/27/28/70/712272870.db2.gz BEIWKMASIBDSGG-AEJSXWLSSA-N 0 3 215.293 0.905 20 0 BCADHN CS(=O)(=O)CCNC[C@@H]1CCC2(CCC2)O1 ZINC000711398476 712297232 /nfs/dbraw/zinc/29/72/32/712297232.db2.gz GNOVEZOZCQFELX-JTQLQIEISA-N 0 3 247.360 0.722 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@H](CF)C1 ZINC000711399389 712297998 /nfs/dbraw/zinc/29/79/98/712297998.db2.gz LVIKJXZGCKNYDT-BDAKNGLRSA-N 0 3 202.273 0.932 20 0 BCADHN C[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H]1COCC1(C)C ZINC000711780922 712329507 /nfs/dbraw/zinc/32/95/07/712329507.db2.gz SCXQAYBBDOZKMS-UTLUCORTSA-N 0 3 247.360 0.434 20 0 BCADHN NCC(=O)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711854477 712336657 /nfs/dbraw/zinc/33/66/57/712336657.db2.gz FLJDFNJZKOKIKL-ONGXEEELSA-N 0 3 212.293 0.267 20 0 BCADHN NCC(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711854476 712336681 /nfs/dbraw/zinc/33/66/81/712336681.db2.gz FLJDFNJZKOKIKL-MWLCHTKSSA-N 0 3 212.293 0.267 20 0 BCADHN O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@H]1CNCCO1 ZINC000711950072 712339082 /nfs/dbraw/zinc/33/90/82/712339082.db2.gz NWJJUVUMBZIPQF-TUAOUCFPSA-N 0 3 238.331 0.527 20 0 BCADHN CC1CC(C(=O)N[C@@H]2CN(CCO)C[C@H]2C)C1 ZINC001079552144 712349825 /nfs/dbraw/zinc/34/98/25/712349825.db2.gz OYKCXOPYEBIWHL-RUJICJSRSA-N 0 3 240.347 0.461 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CC12CC2 ZINC001080507338 712353021 /nfs/dbraw/zinc/35/30/21/712353021.db2.gz FIMOKPRCRCAWPT-GMTAPVOTSA-N 0 3 238.331 0.215 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001080326348 712353263 /nfs/dbraw/zinc/35/32/63/712353263.db2.gz BMNXMWZJTHFIFK-CKYFFXLPSA-N 0 3 244.310 0.571 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2cnon2)C1 ZINC001080648575 712354143 /nfs/dbraw/zinc/35/41/43/712354143.db2.gz SGBMHUFSTIMJNG-VXNVDRBHSA-N 0 3 224.264 0.140 20 0 BCADHN Cc1nc(NC(=O)[C@@H](N)CN(C)C)sc1C ZINC000702416450 712358536 /nfs/dbraw/zinc/35/85/36/712358536.db2.gz YXIYCFYPXFWRQR-QMMMGPOBSA-N 0 3 242.348 0.587 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)C1=COCCO1 ZINC000144459904 712358860 /nfs/dbraw/zinc/35/88/60/712358860.db2.gz DRFSEQRDTRIUHV-SECBINFHSA-N 0 3 238.287 0.228 20 0 BCADHN Cc1ccoc1C(=O)NOCCN(C)C ZINC000379112655 712369503 /nfs/dbraw/zinc/36/95/03/712369503.db2.gz SOCBMWYPOUGJFO-UHFFFAOYSA-N 0 3 212.249 0.811 20 0 BCADHN CC[C@H](CO)N(C)c1ccnc(CO)c1 ZINC000379176524 712370876 /nfs/dbraw/zinc/37/08/76/712370876.db2.gz QSSRRXJUHVNOFF-SNVBAGLBSA-N 0 3 210.277 0.781 20 0 BCADHN C[C@H]1COCC[C@@H]1C(=O)NOCCN(C)C ZINC000379195881 712370968 /nfs/dbraw/zinc/37/09/68/712370968.db2.gz XBPOEGSYXUJSSN-UWVGGRQHSA-N 0 3 230.308 0.268 20 0 BCADHN COC(OC)[C@H](C)NCC1=CCCOC1 ZINC000379588656 712389260 /nfs/dbraw/zinc/38/92/60/712389260.db2.gz PMIFVLWURDNNCE-VIFPVBQESA-N 0 3 215.293 0.930 20 0 BCADHN C[S@](=O)CCNC[C@](C)(O)C(F)(F)F ZINC000379628771 712391018 /nfs/dbraw/zinc/39/10/18/712391018.db2.gz LPGFFEKFBLWEIY-MDAAJZPYSA-N 0 3 233.255 0.268 20 0 BCADHN O=C1OCC[C@@H]1N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712323309 712396702 /nfs/dbraw/zinc/39/67/02/712396702.db2.gz KXACQBBXVNFARH-XFWSIPNHSA-N 0 3 211.261 0.005 20 0 BCADHN CCN1CC[C@@H]1CNc1ncnc2c1cnn2C ZINC000712604574 712436786 /nfs/dbraw/zinc/43/67/86/712436786.db2.gz JIAMERSOETYVOO-SECBINFHSA-N 0 3 246.318 0.869 20 0 BCADHN C[C@@H](NC[C@@H]1CCN1C)c1nccn1C ZINC000712609082 712437281 /nfs/dbraw/zinc/43/72/81/712437281.db2.gz OCNCLTNVWPEKGS-ZJUUUORDSA-N 0 3 208.309 0.775 20 0 BCADHN CN1CC[C@@H]1CNCc1ccc(CO)o1 ZINC000712611339 712437360 /nfs/dbraw/zinc/43/73/60/712437360.db2.gz WUUMYEVOAYUEKU-SECBINFHSA-N 0 3 210.277 0.566 20 0 BCADHN C[C@H](NC[C@H]1CCN1C)c1nccn1C ZINC000712609081 712437381 /nfs/dbraw/zinc/43/73/81/712437381.db2.gz OCNCLTNVWPEKGS-VHSXEESVSA-N 0 3 208.309 0.775 20 0 BCADHN CCN1CC[C@@H]1CNCc1cncnc1 ZINC000712535164 712442122 /nfs/dbraw/zinc/44/21/22/712442122.db2.gz LJKDIHWKDKPKDN-LLVKDONJSA-N 0 3 206.293 0.660 20 0 BCADHN C[C@@H](NC[C@@H]1CCN1C)c1cn(C)cn1 ZINC000712567417 712447088 /nfs/dbraw/zinc/44/70/88/712447088.db2.gz XNUZLDXHOFNQNF-ZJUUUORDSA-N 0 3 208.309 0.775 20 0 BCADHN C[C@@H](NCCn1cnnn1)c1cccc(O)c1 ZINC000712569103 712447126 /nfs/dbraw/zinc/44/71/26/712447126.db2.gz IQPTXQGUWKKMPS-SECBINFHSA-N 0 3 233.275 0.730 20 0 BCADHN CN1CC[C@H]1CNCc1cnn(C)c1Cl ZINC000712573114 712447412 /nfs/dbraw/zinc/44/74/12/712447412.db2.gz RBVBCIUZVJTZJP-VIFPVBQESA-N 0 3 228.727 0.867 20 0 BCADHN COc1cc(CNC[C@H]2CCN2C)sn1 ZINC000712571185 712447695 /nfs/dbraw/zinc/44/76/95/712447695.db2.gz VIKNFWLXHNNJDK-MRVPVSSYSA-N 0 3 227.333 0.945 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712728958 712448646 /nfs/dbraw/zinc/44/86/46/712448646.db2.gz WITDQGZSRYPCDC-POYBYMJQSA-N 0 3 240.225 0.513 20 0 BCADHN CCCn1cc(CNC[C@H]2CCCN2C)nn1 ZINC000714405147 712485175 /nfs/dbraw/zinc/48/51/75/712485175.db2.gz WIBGVBVEVNPOGA-GFCCVEGCSA-N 0 3 237.351 0.872 20 0 BCADHN CCCn1cc(CN[C@@H]2CCN(C)C2)nn1 ZINC000714476646 712491557 /nfs/dbraw/zinc/49/15/57/712491557.db2.gz LVABFYXUXZADRA-SNVBAGLBSA-N 0 3 223.324 0.482 20 0 BCADHN CCn1cc(CNCCc2n[nH]c(C)n2)nn1 ZINC000714919453 712500020 /nfs/dbraw/zinc/50/00/20/712500020.db2.gz YLFDLVAHESEWJV-UHFFFAOYSA-N 0 3 235.295 0.057 20 0 BCADHN CCn1cc(CNCCc2nc(C)n[nH]2)nn1 ZINC000714919453 712500023 /nfs/dbraw/zinc/50/00/23/712500023.db2.gz YLFDLVAHESEWJV-UHFFFAOYSA-N 0 3 235.295 0.057 20 0 BCADHN CC[C@@H](NC[C@H]1COC(C)(C)O1)C(=O)NC ZINC000715121778 712510275 /nfs/dbraw/zinc/51/02/75/712510275.db2.gz LCEYFKWEDZSOOG-DTWKUNHWSA-N 0 3 230.308 0.252 20 0 BCADHN Cc1nc([C@@H](C)NC[C@H]2COC(C)(C)O2)n[nH]1 ZINC000715150231 712512324 /nfs/dbraw/zinc/51/23/24/712512324.db2.gz ALKRXWMZOFVUQU-APPZFPTMSA-N 0 3 240.307 0.915 20 0 BCADHN CS(=O)(=O)C1CC(NC/C=C\Cl)C1 ZINC000715239308 712513877 /nfs/dbraw/zinc/51/38/77/712513877.db2.gz LZQVLCYZLVRTJP-IHWYPQMZSA-N 0 3 223.725 0.904 20 0 BCADHN CN(C[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1COC[C@H]1O ZINC000715401900 712516970 /nfs/dbraw/zinc/51/69/70/712516970.db2.gz KGGYQVVXTLCDHF-UMSGYPCISA-N 0 3 241.331 0.636 20 0 BCADHN Cc1c[nH]nc1CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000715403379 712516994 /nfs/dbraw/zinc/51/69/94/712516994.db2.gz ATEXOWJLGNKDRE-NHCYSSNCSA-N 0 3 221.304 0.921 20 0 BCADHN Cc1c[nH]nc1CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000715403370 712517292 /nfs/dbraw/zinc/51/72/92/712517292.db2.gz ATEXOWJLGNKDRE-HOSYDEDBSA-N 0 3 221.304 0.921 20 0 BCADHN C[C@@H](NC[C@]1(C)CCOC1)c1cn(C)nn1 ZINC000715853898 712536591 /nfs/dbraw/zinc/53/65/91/712536591.db2.gz USNXJERNPKACPN-KOLCDFICSA-N 0 3 224.308 0.892 20 0 BCADHN COC[C@H](C)CN[C@H](C)c1cn(C)nn1 ZINC000715881138 712539284 /nfs/dbraw/zinc/53/92/84/712539284.db2.gz YBRVJHOGHRCVIK-RKDXNWHRSA-N 0 3 212.297 0.748 20 0 BCADHN C[C@@H](CO)CCCN[C@@H](C)c1cn(C)nn1 ZINC000715879141 712539407 /nfs/dbraw/zinc/53/94/07/712539407.db2.gz SJXMLAYIJQAKIJ-ZJUUUORDSA-N 0 3 226.324 0.874 20 0 BCADHN C[C@@H](N[C@@H](C)c1cn(C)nn1)[C@H]1CCOC1 ZINC000715882289 712539534 /nfs/dbraw/zinc/53/95/34/712539534.db2.gz KVKUEMHZTKKADU-UTLUCORTSA-N 0 3 224.308 0.891 20 0 BCADHN C[C@H](NC[C@@H]1CC[C@@H](O)C1)c1cn(C)nn1 ZINC000715914453 712542289 /nfs/dbraw/zinc/54/22/89/712542289.db2.gz UMIAODPTPDHUMZ-IVZWLZJFSA-N 0 3 224.308 0.627 20 0 BCADHN C[C@@H](NCCOCCO)c1ccns1 ZINC000715919308 712542366 /nfs/dbraw/zinc/54/23/66/712542366.db2.gz IOEJPKBOEKQAHD-MRVPVSSYSA-N 0 3 216.306 0.803 20 0 BCADHN COC[C@H](O)CN[C@@H](C)c1ccns1 ZINC000715922804 712542529 /nfs/dbraw/zinc/54/25/29/712542529.db2.gz SUCXGKDGRBHIIL-JGVFFNPUSA-N 0 3 216.306 0.801 20 0 BCADHN CNC(=O)CCN[C@@H](C)c1ccns1 ZINC000715923528 712542799 /nfs/dbraw/zinc/54/27/99/712542799.db2.gz VSZHNLZKXUJATN-ZETCQYMHSA-N 0 3 213.306 0.930 20 0 BCADHN CO[C@@]1(C)C[C@H]1NC1CC(S(C)(=O)=O)C1 ZINC000716104797 712550506 /nfs/dbraw/zinc/55/05/06/712550506.db2.gz MZOXJGUOTYKUFP-BMNUFHGDSA-N 0 3 233.333 0.329 20 0 BCADHN CS(=O)(=O)C1CC(NC2CSC2)C1 ZINC000716113773 712550541 /nfs/dbraw/zinc/55/05/41/712550541.db2.gz HHSWVNBUHLKUTA-UHFFFAOYSA-N 0 3 221.347 0.267 20 0 BCADHN OCCN(CCO)C[C@@H]1CCC2(CCC2)CO1 ZINC000716316635 712554099 /nfs/dbraw/zinc/55/40/99/712554099.db2.gz MYWSTTOSJBBUDJ-LBPRGKRZSA-N 0 3 243.347 0.622 20 0 BCADHN CC[C@H](C(N)=O)N1CCC(C(C)(C)O)CC1 ZINC000716417161 712559688 /nfs/dbraw/zinc/55/96/88/712559688.db2.gz YQCWXWBNXGECMA-SNVBAGLBSA-N 0 3 228.336 0.733 20 0 BCADHN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000716448010 712561604 /nfs/dbraw/zinc/56/16/04/712561604.db2.gz SZVHQNPPQGVZLI-WTPMCQDGSA-N 0 3 238.331 0.383 20 0 BCADHN CCCCCCC(=O)N[C@H](CO)CN(C)C ZINC000716671020 712569068 /nfs/dbraw/zinc/56/90/68/712569068.db2.gz NDMZMUCSNAOGAB-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)CSC(C)(C)C ZINC000716678304 712569327 /nfs/dbraw/zinc/56/93/27/712569327.db2.gz HFGPIFKMGVWILN-SECBINFHSA-N 0 3 248.392 0.557 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)/C=C\c1ccco1 ZINC000716692345 712570192 /nfs/dbraw/zinc/57/01/92/712570192.db2.gz XWFQONWHDXOVBI-WWQCOOJYSA-N 0 3 238.287 0.332 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)/C=C/c1cccnc1 ZINC000716735735 712571530 /nfs/dbraw/zinc/57/15/30/712571530.db2.gz MWSXNJBOIAAQNY-FYJFLYSWSA-N 0 3 249.314 0.134 20 0 BCADHN C/C=C/C=C/C(=O)N[C@H](CO)CN(C)C ZINC000716784605 712573466 /nfs/dbraw/zinc/57/34/66/712573466.db2.gz GGWZHQZLBYWXFK-KPMJTYEXSA-N 0 3 212.293 0.157 20 0 BCADHN CC/C=C(\C)C(=O)N[C@@H](CO)CN(C)C ZINC000716786214 712573714 /nfs/dbraw/zinc/57/37/14/712573714.db2.gz NUBBYILTVREYBY-OLKPEBQYSA-N 0 3 214.309 0.381 20 0 BCADHN CCS(=O)(=O)CCN[C@@H](C)[C@@H]1CCCO1 ZINC000037371159 712578002 /nfs/dbraw/zinc/57/80/02/712578002.db2.gz LKEVAHYWXOWRPT-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN CCN(C[C@H]1CCOC1)C(=O)[C@@H](N)CC1CC1 ZINC000379891559 712621036 /nfs/dbraw/zinc/62/10/36/712621036.db2.gz FBRXUZYNHMQSNL-NEPJUHHUSA-N 0 3 240.347 0.999 20 0 BCADHN O=S(=O)(NCC[C@@H]1CC[C@@H]2C[C@@H]21)C1CNC1 ZINC000717126930 712634014 /nfs/dbraw/zinc/63/40/14/712634014.db2.gz YNFSARSWFSQXOY-IQJOONFLSA-N 0 3 244.360 0.314 20 0 BCADHN CCn1cc(CN2CCCN(C)CC2)nn1 ZINC000883995538 712643183 /nfs/dbraw/zinc/64/31/83/712643183.db2.gz RFKYWBQRELUVCT-UHFFFAOYSA-N 0 3 223.324 0.436 20 0 BCADHN CCc1ncc(CNC[C@@H](O)[C@H](C)O)s1 ZINC000717296782 712645539 /nfs/dbraw/zinc/64/55/39/712645539.db2.gz OZXFIMKUAVDURW-IONNQARKSA-N 0 3 230.333 0.537 20 0 BCADHN CCc1ncc(CNC[C@H](O)[C@@H](C)O)s1 ZINC000717296780 712645564 /nfs/dbraw/zinc/64/55/64/712645564.db2.gz OZXFIMKUAVDURW-APPZFPTMSA-N 0 3 230.333 0.537 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1n[nH]c2ccccc12 ZINC000717388014 712653181 /nfs/dbraw/zinc/65/31/81/712653181.db2.gz OKQKXEQWEGKAGJ-QPUJVOFHSA-N 0 3 235.287 0.394 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1[nH]nc2ccccc21 ZINC000717388014 712653182 /nfs/dbraw/zinc/65/31/82/712653182.db2.gz OKQKXEQWEGKAGJ-QPUJVOFHSA-N 0 3 235.287 0.394 20 0 BCADHN COc1ccc(CNC[C@H](O)[C@@H](C)O)cc1O ZINC000717391477 712653904 /nfs/dbraw/zinc/65/39/04/712653904.db2.gz AXEGMROTOIWDKO-KCJUWKMLSA-N 0 3 241.287 0.232 20 0 BCADHN Cc1sccc1CNC[C@H](O)[C@H](C)O ZINC000717417267 712656671 /nfs/dbraw/zinc/65/66/71/712656671.db2.gz DKVKWWYIZKHVOP-XVKPBYJWSA-N 0 3 215.318 0.888 20 0 BCADHN COc1ccc(CNC[C@H](O)[C@@H](C)O)cc1F ZINC000717404036 712655591 /nfs/dbraw/zinc/65/55/91/712655591.db2.gz LCZWIYRVVKUKFC-KCJUWKMLSA-N 0 3 243.278 0.666 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1cnn(C(C)(C)C)c1 ZINC000717403152 712655840 /nfs/dbraw/zinc/65/58/40/712655840.db2.gz GZCLHVYMWIGKRG-KOLCDFICSA-N 0 3 241.335 0.469 20 0 BCADHN C[C@H](O)[C@@H](O)CN[C@@H](C)c1cncs1 ZINC000717422916 712657733 /nfs/dbraw/zinc/65/77/33/712657733.db2.gz VZBUNWFBXUNGGD-FXQIFTODSA-N 0 3 216.306 0.535 20 0 BCADHN Cc1ccc(CNC[C@@H](O)[C@H](C)O)cn1 ZINC000717427671 712658271 /nfs/dbraw/zinc/65/82/71/712658271.db2.gz MBEYJEDZWWSYEM-GXSJLCMTSA-N 0 3 210.277 0.221 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000717620904 712662932 /nfs/dbraw/zinc/66/29/32/712662932.db2.gz XTPQTGRYSDQVGI-DTWKUNHWSA-N 0 3 214.309 0.655 20 0 BCADHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1ccns1 ZINC000717721105 712665969 /nfs/dbraw/zinc/66/59/69/712665969.db2.gz WNJJKZYLOZPASA-LURJTMIESA-N 0 3 235.334 0.029 20 0 BCADHN C[C@@]1([N-]S(=O)(=O)c2ccns2)CC[NH2+]C1 ZINC000717736605 712669346 /nfs/dbraw/zinc/66/93/46/712669346.db2.gz OXGGGEUZVYQERI-MRVPVSSYSA-N 0 3 247.345 0.173 20 0 BCADHN C[C@H]1CN(C(=O)[C@H](N)CC2CC2)CCO1 ZINC000380007170 712669702 /nfs/dbraw/zinc/66/97/02/712669702.db2.gz LIXFLIFMMOFHTH-WCBMZHEXSA-N 0 3 212.293 0.361 20 0 BCADHN COc1ccc(CN[C@]23C[C@H]2COC3)cn1 ZINC000718051565 712739213 /nfs/dbraw/zinc/73/92/13/712739213.db2.gz SBPKUXOPJLRSTN-JQWIXIFHSA-N 0 3 220.272 0.969 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@H](C)CO2)CCN1 ZINC000718384749 712758121 /nfs/dbraw/zinc/75/81/21/712758121.db2.gz NFFHSFZAPPQWRW-TUAOUCFPSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@H]1CO[C@H](C(=O)N2CCNC(C)(C)C2)C1 ZINC000718556726 712769809 /nfs/dbraw/zinc/76/98/09/712769809.db2.gz CGTUNXLVJNGXKQ-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN COCC(C)(C)CCNCc1ncnn1C ZINC000718715486 712777964 /nfs/dbraw/zinc/77/79/64/712777964.db2.gz IVVWHQOCRHQVDA-UHFFFAOYSA-N 0 3 226.324 0.967 20 0 BCADHN C[S@@](=O)CCN1CCC(C2OCCO2)CC1 ZINC000718974221 712791226 /nfs/dbraw/zinc/79/12/26/712791226.db2.gz IVRCCQGWAFWHNW-MRXNPFEDSA-N 0 3 247.360 0.450 20 0 BCADHN C[C@@H]1COC[C@@H]1NCc1cnc2n1CCC2 ZINC000719154037 712798923 /nfs/dbraw/zinc/79/89/23/712798923.db2.gz NQNVIFKCEWJYHK-KOLCDFICSA-N 0 3 221.304 0.954 20 0 BCADHN Cn1ncc(CN)c1C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000719200264 712799453 /nfs/dbraw/zinc/79/94/53/712799453.db2.gz TYMWOHDDVLUMPD-FXPVBKGRSA-N 0 3 248.330 0.797 20 0 BCADHN Cn1ncc(CN)c1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000719212411 712800249 /nfs/dbraw/zinc/80/02/49/712800249.db2.gz MYGNTJIVPBSTOV-DIYOJNKTSA-N 0 3 234.303 0.407 20 0 BCADHN Cn1ncc(CN)c1C(=O)NC(C1CC1)C1CC1 ZINC000719244234 712801108 /nfs/dbraw/zinc/80/11/08/712801108.db2.gz LAJYMMPREYWLHE-UHFFFAOYSA-N 0 3 248.330 0.797 20 0 BCADHN Cn1ncc(CN)c1C(=O)NCC1CC=CC1 ZINC000719245827 712801302 /nfs/dbraw/zinc/80/13/02/712801302.db2.gz USPVTHRVXOMWBL-UHFFFAOYSA-N 0 3 234.303 0.575 20 0 BCADHN Cn1ncc(CN)c1C(=O)N1CCCCCC1 ZINC000719243406 712801325 /nfs/dbraw/zinc/80/13/25/712801325.db2.gz GMWILIANZPEJOW-UHFFFAOYSA-N 0 3 236.319 0.895 20 0 BCADHN CC[C@H]1CCN(C(=O)c2c(CN)cnn2C)C1 ZINC000719243664 712801450 /nfs/dbraw/zinc/80/14/50/712801450.db2.gz DYZBBJAEUFSDDL-VIFPVBQESA-N 0 3 236.319 0.751 20 0 BCADHN Cn1ncc(CN)c1C(=O)NCCCC1CC1 ZINC000719244400 712801533 /nfs/dbraw/zinc/80/15/33/712801533.db2.gz MDLJWMAVHXQGGN-UHFFFAOYSA-N 0 3 236.319 0.799 20 0 BCADHN CCC(CC)NC(=O)c1c(CN)cnn1C ZINC000719260295 712802110 /nfs/dbraw/zinc/80/21/10/712802110.db2.gz BLBHTYHRGHPRIW-UHFFFAOYSA-N 0 3 224.308 0.797 20 0 BCADHN CSC[C@@H](C)NC(=O)c1c(CN)cnn1C ZINC000719278022 712803015 /nfs/dbraw/zinc/80/30/15/712803015.db2.gz CVGRXBHLIVVFIY-SSDOTTSWSA-N 0 3 242.348 0.360 20 0 BCADHN COC[C@H](C)NC(=S)N[C@H]1CCN(C)[C@H]1C ZINC000719364676 712806456 /nfs/dbraw/zinc/80/64/56/712806456.db2.gz FZIAOEFZZRHPBE-GUBZILKMSA-N 0 3 245.392 0.578 20 0 BCADHN C[C@H]1[C@H](NC(=O)N2CCOCC2)CCN1C ZINC000719375200 712806961 /nfs/dbraw/zinc/80/69/61/712806961.db2.gz XYTVFQFMLDTVKY-VHSXEESVSA-N 0 3 227.308 0.121 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2ncccc2N)CCN1C ZINC000719462665 712808289 /nfs/dbraw/zinc/80/82/89/712808289.db2.gz FDCBIPYWLNZHAK-WPRPVWTQSA-N 0 3 234.303 0.486 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2ncccc2N)CCN1C ZINC000719462659 712808339 /nfs/dbraw/zinc/80/83/39/712808339.db2.gz FDCBIPYWLNZHAK-SCZZXKLOSA-N 0 3 234.303 0.486 20 0 BCADHN COc1ccnc(N[C@H]2CCN(C)[C@H]2C)n1 ZINC000719570614 712811237 /nfs/dbraw/zinc/81/12/37/712811237.db2.gz PALSNHOHRAUXMF-IUCAKERBSA-N 0 3 222.292 0.990 20 0 BCADHN C[C@H]1[C@H](NCc2csnn2)CCN1C ZINC000719584975 712813337 /nfs/dbraw/zinc/81/33/37/712813337.db2.gz RVJZGEBIUIECQH-IONNQARKSA-N 0 3 212.322 0.720 20 0 BCADHN C[C@@H]1[C@H](NCc2ccn(C)n2)CCN1C ZINC000719647125 712819847 /nfs/dbraw/zinc/81/98/47/712819847.db2.gz ZCVARXBFHGPRFT-MWLCHTKSSA-N 0 3 208.309 0.602 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@@H](C(C)(C)O)C1 ZINC000719686027 712821241 /nfs/dbraw/zinc/82/12/41/712821241.db2.gz CINQUTSZUWRZDH-RKDXNWHRSA-N 0 3 214.309 0.343 20 0 BCADHN C[C@@H](C(N)=O)N1CCC[C@@H](C(C)(C)O)C1 ZINC000719686007 712821665 /nfs/dbraw/zinc/82/16/65/712821665.db2.gz CINQUTSZUWRZDH-DTWKUNHWSA-N 0 3 214.309 0.343 20 0 BCADHN COCCN(CCO)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720566047 712851438 /nfs/dbraw/zinc/85/14/38/712851438.db2.gz KDPIIRQJAFTWHQ-AGIUHOORSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@@H]1Cc2cc(CN[C@@H]3COC[C@@H]3O)ccc2O1 ZINC000720749534 712863858 /nfs/dbraw/zinc/86/38/58/712863858.db2.gz RRFQWKOPQIMKQR-WQAKAFBOSA-N 0 3 249.310 0.859 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cn[nH]c1 ZINC000720808789 712866838 /nfs/dbraw/zinc/86/68/38/712866838.db2.gz DNDNIPPNGSYRPS-MNOVXSKESA-N 0 3 234.303 0.718 20 0 BCADHN Cc1nc(N)nc(N2CC[C@@H]3[C@@H]2CCCN3C)n1 ZINC000720816088 712868372 /nfs/dbraw/zinc/86/83/72/712868372.db2.gz MVFZAWYGGNYVGL-ZJUUUORDSA-N 0 3 248.334 0.435 20 0 BCADHN CS(=O)(=O)CCNC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720821484 712868699 /nfs/dbraw/zinc/86/86/99/712868699.db2.gz PAUDDZODKHDXBF-VWYCJHECSA-N 0 3 247.360 0.578 20 0 BCADHN CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720851368 712870226 /nfs/dbraw/zinc/87/02/26/712870226.db2.gz QWAFWODWTVJROX-NXEZZACHSA-N 0 3 211.309 0.884 20 0 BCADHN CN(C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720849918 712870896 /nfs/dbraw/zinc/87/08/96/712870896.db2.gz OAZPSXMIVKACTI-VHSXEESVSA-N 0 3 211.309 0.837 20 0 BCADHN COCC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720878291 712872551 /nfs/dbraw/zinc/87/25/51/712872551.db2.gz QBBDACHECBHAIO-NXEZZACHSA-N 0 3 212.293 0.328 20 0 BCADHN COC(=O)c1ccc(CNC[C@H]2C[C@H](O)C2)o1 ZINC000720952477 712882491 /nfs/dbraw/zinc/88/24/91/712882491.db2.gz YUHISOVAFISTKV-KYZUINATSA-N 0 3 239.271 0.927 20 0 BCADHN CO[C@H](C)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000721059103 712888634 /nfs/dbraw/zinc/88/86/34/712888634.db2.gz VSDZALDMJQPFEF-ZWNOBZJWSA-N 0 3 248.326 0.852 20 0 BCADHN C[C@@H]1CN(c2ncc3c(n2)CNC3)[C@@H](C)CN1C ZINC001164642417 719196076 /nfs/dbraw/zinc/19/60/76/719196076.db2.gz YFCBIVKYQAWKRZ-ZJUUUORDSA-N 0 3 247.346 0.609 20 0 BCADHN COCCN1CCN(CCCO)C(C)(C)C1 ZINC000649849473 398138803 /nfs/dbraw/zinc/13/88/03/398138803.db2.gz YIJDQYJQOHLELU-UHFFFAOYSA-N 0 3 230.352 0.411 20 0 BCADHN CCN(C)S(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000081183195 398138946 /nfs/dbraw/zinc/13/89/46/398138946.db2.gz QCKNOLNHRJMKLQ-SNVBAGLBSA-N 0 3 249.380 0.114 20 0 BCADHN CC(C)(C)C(=O)NC[C@@H]1CNCCO1 ZINC000036284934 343977031 /nfs/dbraw/zinc/97/70/31/343977031.db2.gz RCYMVEJVFVVHAS-QMMMGPOBSA-N 0 3 200.282 0.137 20 0 BCADHN CN1CCCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000266743621 538913627 /nfs/dbraw/zinc/91/36/27/538913627.db2.gz ALSYAKUAUHLJHP-UHFFFAOYSA-N 0 3 222.292 0.116 20 0 BCADHN CN1CCCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000266743621 538913628 /nfs/dbraw/zinc/91/36/28/538913628.db2.gz ALSYAKUAUHLJHP-UHFFFAOYSA-N 0 3 222.292 0.116 20 0 BCADHN CCC(CC)(CCO)CNC(=O)[C@@H](CN)OC ZINC000353004256 168318861 /nfs/dbraw/zinc/31/88/61/168318861.db2.gz SYYRUGLFECVYDS-SNVBAGLBSA-N 0 3 246.351 0.265 20 0 BCADHN Cc1nocc1CNC[C@H](CO)[C@H]1CCOC1 ZINC000550216261 398141361 /nfs/dbraw/zinc/14/13/61/398141361.db2.gz UTKXDXBXVPUAQD-WDEREUQCSA-N 0 3 240.303 0.718 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC000268263578 538917028 /nfs/dbraw/zinc/91/70/28/538917028.db2.gz ZRTFVODOGDOVCP-JOYOIKCWSA-N 0 3 248.330 0.551 20 0 BCADHN COC[C@H](C)CN(C)[C@@H](C)C[S@](C)=O ZINC000188423822 346810191 /nfs/dbraw/zinc/81/01/91/346810191.db2.gz HYVHNKXAYSCUHF-BFVZDQMLSA-N 0 3 221.366 0.968 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C12CC(C1)C2 ZINC000626248203 349470239 /nfs/dbraw/zinc/47/02/39/349470239.db2.gz CQPNMWJLWWIZHF-ZYXZCXLHSA-N 0 3 226.320 0.215 20 0 BCADHN Cc1cocc1C(=O)NC[C@](C)(O)CN(C)C ZINC000626248386 349471571 /nfs/dbraw/zinc/47/15/71/349471571.db2.gz JVCGDGAUYFGTGX-LBPRGKRZSA-N 0 3 240.303 0.630 20 0 BCADHN CCCNS(=O)(=O)NC[C@H](C)N1CCCC1 ZINC000062348499 349472421 /nfs/dbraw/zinc/47/24/21/349472421.db2.gz BSSAAAXJTCCQEK-JTQLQIEISA-N 0 3 249.380 0.305 20 0 BCADHN COC[C@@H](N[C@H](C)C(=O)NC(C)C)C1CC1 ZINC000161715264 349489498 /nfs/dbraw/zinc/48/94/98/349489498.db2.gz RCXOSWVSLOPNLZ-MWLCHTKSSA-N 0 3 228.336 0.914 20 0 BCADHN CCC(CC)(CN[C@@H]1COC[C@H]1O)C(=O)OC ZINC000361329111 168326975 /nfs/dbraw/zinc/32/69/75/168326975.db2.gz WDEDLESCBYRIRS-NXEZZACHSA-N 0 3 245.319 0.315 20 0 BCADHN CCC(CC)(CN[C@H]1COC[C@@H]1O)C(=O)OC ZINC000361329112 168327008 /nfs/dbraw/zinc/32/70/08/168327008.db2.gz WDEDLESCBYRIRS-UWVGGRQHSA-N 0 3 245.319 0.315 20 0 BCADHN CCOC[C@H]1CCN(CCN2CCNC2=O)C1 ZINC000336728861 187322062 /nfs/dbraw/zinc/32/20/62/187322062.db2.gz XANQKTCZFDFAIW-NSHDSACASA-N 0 3 241.335 0.370 20 0 BCADHN CC(=O)CCN1CCC2(CCN(C)C2=O)CC1 ZINC000365739406 187324709 /nfs/dbraw/zinc/32/47/09/187324709.db2.gz VCMVKVZGINJFEU-UHFFFAOYSA-N 0 3 238.331 0.910 20 0 BCADHN CCN(CC)CC(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000337485328 187324523 /nfs/dbraw/zinc/32/45/23/187324523.db2.gz YUFCFHVZHBZJTM-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)COCCN(C[C@H](C)O)[C@@H](C)CO ZINC000337484985 187324567 /nfs/dbraw/zinc/32/45/67/187324567.db2.gz XWQWTYUWYNCBBQ-RYUDHWBXSA-N 0 3 233.352 0.723 20 0 BCADHN C[C@H](CCO)N(C)C[C@@H]1COCCO1 ZINC000649871015 398153597 /nfs/dbraw/zinc/15/35/97/398153597.db2.gz PVFHNUZADDCMGN-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN CC[C@@H](O)CN1CCO[C@]2(CCCOC2)C1 ZINC000339186458 398153547 /nfs/dbraw/zinc/15/35/47/398153547.db2.gz UUOUXXSRYHGMTG-VXGBXAGGSA-N 0 3 229.320 0.639 20 0 BCADHN Cc1cc(CNC(=O)[C@@H]2CCCCN2)no1 ZINC000044727111 178014650 /nfs/dbraw/zinc/01/46/50/178014650.db2.gz LUVNSSCNFSEKSR-JTQLQIEISA-N 0 3 223.276 0.741 20 0 BCADHN Cc1cc(CNC(=O)[C@H]2CCCCN2)no1 ZINC000044727112 178015534 /nfs/dbraw/zinc/01/55/34/178015534.db2.gz LUVNSSCNFSEKSR-SNVBAGLBSA-N 0 3 223.276 0.741 20 0 BCADHN Cc1cc(CNC(=O)[C@H](N)C(C)C)on1 ZINC000045006959 178015690 /nfs/dbraw/zinc/01/56/90/178015690.db2.gz KUQMULYMTSESMA-SECBINFHSA-N 0 3 211.265 0.583 20 0 BCADHN CC(=O)[C@@](C)(O)CN(C)C[C@H](O)C1CC1 ZINC000649342510 398159844 /nfs/dbraw/zinc/15/98/44/398159844.db2.gz SFWDKEXEXWFEIH-QWRGUYRKSA-N 0 3 215.293 0.029 20 0 BCADHN CNC(=O)[C@@H]1CCCN(CC2(F)CC2)C1 ZINC000527510355 398169930 /nfs/dbraw/zinc/16/99/30/398169930.db2.gz CFRZYMKCZNVLLT-SECBINFHSA-N 0 3 214.284 0.947 20 0 BCADHN Cc1cc(CN[C@@H](CO)C(C)C)ncn1 ZINC000336746309 178030421 /nfs/dbraw/zinc/03/04/21/178030421.db2.gz BUTCKTXXWMFGIU-NSHDSACASA-N 0 3 209.293 0.892 20 0 BCADHN CC[C@@H]1CCC[C@H]1NC(=O)CN1CCNCC1 ZINC000388730809 398171514 /nfs/dbraw/zinc/17/15/14/398171514.db2.gz ZEVYZODMNSIHKB-VXGBXAGGSA-N 0 3 239.363 0.587 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)C[C@@H]1CCCCO1 ZINC000042466050 398173007 /nfs/dbraw/zinc/17/30/07/398173007.db2.gz XBWMYHYYBNUPAB-WDEREUQCSA-N 0 3 228.336 0.997 20 0 BCADHN Cc1cc(CN[C@H]2CCCC[C@H]2C(N)=O)ncn1 ZINC000293071425 178040640 /nfs/dbraw/zinc/04/06/40/178040640.db2.gz HACYUEOOQLALHI-NEPJUHHUSA-N 0 3 248.330 0.919 20 0 BCADHN Cc1cc(CN[C@H]2CN(C)C[C@@H]2C)n(C)n1 ZINC000309405741 178042137 /nfs/dbraw/zinc/04/21/37/178042137.db2.gz HYSCPRAGWUMQIT-CABZTGNLSA-N 0 3 222.336 0.768 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@]2(CC2(F)F)C1 ZINC000649902999 398175794 /nfs/dbraw/zinc/17/57/94/398175794.db2.gz IVXOJXNYDXQSFB-APPZFPTMSA-N 0 3 218.247 0.981 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000649903003 398176812 /nfs/dbraw/zinc/17/68/12/398176812.db2.gz IVXOJXNYDXQSFB-VXNVDRBHSA-N 0 3 218.247 0.981 20 0 BCADHN C[C@@H](C(=O)N1CCNC[C@](C)(F)C1)N(C)C ZINC000649364486 398176900 /nfs/dbraw/zinc/17/69/00/398176900.db2.gz LJONYXLZOZORDP-ONGXEEELSA-N 0 3 231.315 0.097 20 0 BCADHN Cc1cc(CO)oc1C(=O)N[C@@H](C)CN(C)C ZINC000286873842 178046961 /nfs/dbraw/zinc/04/69/61/178046961.db2.gz DMCFHNUXHLJBPT-VIFPVBQESA-N 0 3 240.303 0.760 20 0 BCADHN Cc1cc(CO)oc1C(=O)NCCN(C)C ZINC000330451599 178047980 /nfs/dbraw/zinc/04/79/80/178047980.db2.gz KIPLUTAJXVUDKE-UHFFFAOYSA-N 0 3 226.276 0.372 20 0 BCADHN Cc1ccc(CN2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)o1 ZINC000366535399 398179151 /nfs/dbraw/zinc/17/91/51/398179151.db2.gz XHXMIXPNWFGFCW-QWRGUYRKSA-N 0 3 248.282 0.683 20 0 BCADHN Cc1ccc(CN2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)o1 ZINC000366535401 398179198 /nfs/dbraw/zinc/17/91/98/398179198.db2.gz XHXMIXPNWFGFCW-WDEREUQCSA-N 0 3 248.282 0.683 20 0 BCADHN Cn1cc(CN2CCC[C@@H](CO)C2)cn1 ZINC000013568201 136217298 /nfs/dbraw/zinc/21/72/98/136217298.db2.gz QINCLOCRDDDQTG-SNVBAGLBSA-N 0 3 209.293 0.624 20 0 BCADHN Cc1cc(C[C@@H](C)NC(=O)C2(N)CC2)[nH]n1 ZINC000353181626 178055662 /nfs/dbraw/zinc/05/56/62/178055662.db2.gz IGCQMTDBGWYJSE-SSDOTTSWSA-N 0 3 222.292 0.257 20 0 BCADHN CC[C@H](CO)NC[C@](C)(O)C(F)(F)F ZINC000379655860 398160733 /nfs/dbraw/zinc/16/07/33/398160733.db2.gz KKUBENNSPSLZMD-RQJHMYQMSA-N 0 3 215.215 0.660 20 0 BCADHN Cc1nn(C)cc1[C@H]1CCCN1C(=O)CN ZINC000649348651 398162451 /nfs/dbraw/zinc/16/24/51/398162451.db2.gz PVDKZZOVDMONNL-SNVBAGLBSA-N 0 3 222.292 0.351 20 0 BCADHN CC(C)([NH3+])C[N-]S(=O)(=O)c1ccccn1 ZINC000390183588 398162659 /nfs/dbraw/zinc/16/26/59/398162659.db2.gz KQFHKPVTWLPOHV-UHFFFAOYSA-N 0 3 229.305 0.097 20 0 BCADHN C[C@]1(CO)CCC[C@@H]1N[C@@H]1CCNC1=O ZINC000309140695 136217655 /nfs/dbraw/zinc/21/76/55/136217655.db2.gz SXVJKZMPXYXPJP-WCABBAIRSA-N 0 3 212.293 0.016 20 0 BCADHN CO[C@@H]1CN([C@@H]2CCCN(C)C2=O)CC[C@H]1C ZINC000527123856 398167083 /nfs/dbraw/zinc/16/70/83/398167083.db2.gz COARWUTVJPFJOO-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(CC(F)F)C(=O)COC1(C)CNC1 ZINC000386195470 398199391 /nfs/dbraw/zinc/19/93/91/398199391.db2.gz JCBDISYLMRGQBE-UHFFFAOYSA-N 0 3 236.262 0.479 20 0 BCADHN Cn1cccc1CNCCNC(=O)C1CC1 ZINC000072889560 398189391 /nfs/dbraw/zinc/18/93/91/398189391.db2.gz GSCNDCRMBULHFI-UHFFFAOYSA-N 0 3 221.304 0.641 20 0 BCADHN NCC(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000649380286 398189712 /nfs/dbraw/zinc/18/97/12/398189712.db2.gz JRDFDIUIBVKZPR-MNOVXSKESA-N 0 3 226.320 0.610 20 0 BCADHN COC[C@@H](C)NCc1ccc(C(=O)OC)[nH]1 ZINC000086329588 398191500 /nfs/dbraw/zinc/19/15/00/398191500.db2.gz DTNXYKZETOYOQU-MRVPVSSYSA-N 0 3 226.276 0.926 20 0 BCADHN Cc1c[nH]nc1CNCCc1cn[nH]c1 ZINC000289958100 398194365 /nfs/dbraw/zinc/19/43/65/398194365.db2.gz VGAYLYZLFDSSPR-UHFFFAOYSA-N 0 3 205.265 0.774 20 0 BCADHN COC(=O)[C@@H]1CN(C)CCN(CC2(C)CC2)C1 ZINC000576249714 365537515 /nfs/dbraw/zinc/53/75/15/365537515.db2.gz NSHZAVRNFRUPTO-LLVKDONJSA-N 0 3 240.347 0.823 20 0 BCADHN Cc1cc(N)nc(NC[C@@H]2CCCO2)n1 ZINC000058824250 178110215 /nfs/dbraw/zinc/11/02/15/178110215.db2.gz CBJVPGBNXTYEAT-QMMMGPOBSA-N 0 3 208.265 0.958 20 0 BCADHN COCC[C@@H](C)N1CCN(C[C@H](C)O)CC1 ZINC000494429546 538926490 /nfs/dbraw/zinc/92/64/90/538926490.db2.gz KPFDOCDPJXATTN-NEPJUHHUSA-N 0 3 230.352 0.410 20 0 BCADHN Cc1cc(N2CC[C@@H](NC(C)C)C2=O)n(C)n1 ZINC000173787956 178118295 /nfs/dbraw/zinc/11/82/95/178118295.db2.gz PXJGKQGYBHEHSC-SNVBAGLBSA-N 0 3 236.319 0.832 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@H](O)C(C)(C)C ZINC000309751927 136219551 /nfs/dbraw/zinc/21/95/51/136219551.db2.gz GXEOFGKAXDOSNM-KXUCPTDWSA-N 0 3 228.336 0.508 20 0 BCADHN O=S1(=O)CC[C@@H](NCCC2CCOCC2)C1 ZINC000380619343 398203874 /nfs/dbraw/zinc/20/38/74/398203874.db2.gz AQHQRMSVHZTHNF-LLVKDONJSA-N 0 3 247.360 0.580 20 0 BCADHN CNC(=O)CNCc1cccc(-n2cccn2)c1 ZINC000576259294 365542530 /nfs/dbraw/zinc/54/25/30/365542530.db2.gz FHAQNDREABQMRN-UHFFFAOYSA-N 0 3 244.298 0.708 20 0 BCADHN CC[C@@H](CO)N(C)Cc1ccc(C(N)=O)cc1 ZINC000293884705 398204969 /nfs/dbraw/zinc/20/49/69/398204969.db2.gz FYNGLZJZZSVQPE-LBPRGKRZSA-N 0 3 236.315 0.988 20 0 BCADHN CCO[C@@H]1C[C@@H](NC(=O)[C@H](N)CC)[C@H]1OC ZINC000576277492 365546214 /nfs/dbraw/zinc/54/62/14/365546214.db2.gz CDXQWIRBFWOKNV-ZYUZMQFOSA-N 0 3 230.308 0.032 20 0 BCADHN C[C@H](O)[C@H]1CCN(CCn2ccccc2=O)C1 ZINC000162825296 538925427 /nfs/dbraw/zinc/92/54/27/538925427.db2.gz QLAJTELGYMRZSV-RYUDHWBXSA-N 0 3 236.315 0.551 20 0 BCADHN Cc1cc(NC(=O)[C@H](C)NC2CC2)n(C)n1 ZINC000382950342 398206146 /nfs/dbraw/zinc/20/61/46/398206146.db2.gz LMCDSILVXQLTDI-QMMMGPOBSA-N 0 3 222.292 0.808 20 0 BCADHN CC[C@@H](N)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000380714576 398206355 /nfs/dbraw/zinc/20/63/55/398206355.db2.gz NQBDKKNXNAOSKX-GHMZBOCLSA-N 0 3 225.336 0.276 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCCN(CC2(C)CC2)C1 ZINC000576291391 365555457 /nfs/dbraw/zinc/55/54/57/365555457.db2.gz VBLQVVDFPLQLHL-SNVBAGLBSA-N 0 3 246.376 0.800 20 0 BCADHN C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC000576342949 365570609 /nfs/dbraw/zinc/57/06/09/365570609.db2.gz DAGCYAJKDHKNBF-HTQZYQBOSA-N 0 3 223.276 0.387 20 0 BCADHN Cc1cc(NC(=O)[C@@H](C)N)ccc1C(N)=O ZINC000269045880 178143638 /nfs/dbraw/zinc/14/36/38/178143638.db2.gz FKRHSRQJWDLWHP-SSDOTTSWSA-N 0 3 221.260 0.380 20 0 BCADHN CC(C)OCCCN1C[C@@H](O)C[C@H]1CO ZINC000186548272 136220484 /nfs/dbraw/zinc/22/04/84/136220484.db2.gz MTRYJSGIDKVJKV-QWRGUYRKSA-N 0 3 217.309 0.229 20 0 BCADHN Cc1cc(NC(=O)[C@H]2CCN2)ccc1C(N)=O ZINC000336425771 178147963 /nfs/dbraw/zinc/14/79/63/178147963.db2.gz VYVWLZSXHPQPFH-SNVBAGLBSA-N 0 3 233.271 0.394 20 0 BCADHN COCCN(C)CCNC(=O)C1(C)CCC1 ZINC000426714963 398218629 /nfs/dbraw/zinc/21/86/29/398218629.db2.gz GEXOXNANCWEEDW-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CCC[C@H]1CCCN(CC(=O)NC(=O)NC)C1 ZINC000121002017 136221240 /nfs/dbraw/zinc/22/12/40/136221240.db2.gz NFHBRBJYVLJMCA-JTQLQIEISA-N 0 3 241.335 0.954 20 0 BCADHN CC(C)(CNC(=O)[C@]1(C)CCCCN1)C(N)=O ZINC000227694461 192027760 /nfs/dbraw/zinc/02/77/60/192027760.db2.gz GKHGCUKMAFYYBT-LBPRGKRZSA-N 0 3 241.335 0.146 20 0 BCADHN C[C@H]1CCNC(=O)[C@H]1NC[C@@H]1CCC=CO1 ZINC000195007197 136221418 /nfs/dbraw/zinc/22/14/18/136221418.db2.gz YNLINRZPXADXCU-DCAQKATOSA-N 0 3 224.304 0.793 20 0 BCADHN CC(=O)NCCCN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339622470 187330108 /nfs/dbraw/zinc/33/01/08/187330108.db2.gz NWFWZOOCARACEJ-QWRGUYRKSA-N 0 3 227.352 0.537 20 0 BCADHN Cc1cc(NC[C@H]2CCCN2C)n2ncnc2n1 ZINC000221256149 178170657 /nfs/dbraw/zinc/17/06/57/178170657.db2.gz VLCVDHSWEPVPHV-SNVBAGLBSA-N 0 3 246.318 0.939 20 0 BCADHN CCN(CCNC(=O)c1cc[n+]([O-])cc1)C1CC1 ZINC000263712117 398222343 /nfs/dbraw/zinc/22/23/43/398222343.db2.gz KJMREMWLZDHDLK-UHFFFAOYSA-N 0 3 249.314 0.534 20 0 BCADHN C[C@@H](C(=O)NCCN(C)C1CC1)N1CC(C)C1 ZINC000576409303 365589293 /nfs/dbraw/zinc/58/92/93/365589293.db2.gz ORLXLAXZPPZGTN-NSHDSACASA-N 0 3 239.363 0.537 20 0 BCADHN CCc1cc(=O)[n-]c(CN2CCC[C@@H]2C[NH3+])n1 ZINC000430558084 398228235 /nfs/dbraw/zinc/22/82/35/398228235.db2.gz XVXUNGLVAYRVOH-SNVBAGLBSA-N 0 3 236.319 0.668 20 0 BCADHN CCC(CC)C[N@@H+]1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000372841887 168353018 /nfs/dbraw/zinc/35/30/18/168353018.db2.gz VICPSGLVABQQBO-GFCCVEGCSA-N 0 3 239.319 0.707 20 0 BCADHN CCC(CC)C[N@H+]1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000372841887 168353021 /nfs/dbraw/zinc/35/30/21/168353021.db2.gz VICPSGLVABQQBO-GFCCVEGCSA-N 0 3 239.319 0.707 20 0 BCADHN Cn1cc(CCN2CC[C@@H]3C[C@@H]3C2)nn1 ZINC000625556477 343989792 /nfs/dbraw/zinc/98/97/92/343989792.db2.gz FJMGXMVESTYZMN-NXEZZACHSA-N 0 3 206.293 0.699 20 0 BCADHN Cc1cc(S(=O)(=O)N(C)C2CNC2)c(C)o1 ZINC000336406079 178215309 /nfs/dbraw/zinc/21/53/09/178215309.db2.gz XQRMHVZGOZIQLI-UHFFFAOYSA-N 0 3 244.316 0.489 20 0 BCADHN Cc1ccc(NC(=O)COC2CNC2)nc1 ZINC000430854731 398232927 /nfs/dbraw/zinc/23/29/27/398232927.db2.gz NMGBUTBOCYSXBS-UHFFFAOYSA-N 0 3 221.260 0.317 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)[C@@H](C)CN1 ZINC000083118234 349522375 /nfs/dbraw/zinc/52/23/75/349522375.db2.gz TVORWGYEBLEFNC-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1cc([C@@H](C)NC[C@@H](O)CN(C)C)nn1C ZINC000330372601 178227103 /nfs/dbraw/zinc/22/71/03/178227103.db2.gz BWBQYINBBDCWBS-GHMZBOCLSA-N 0 3 240.351 0.302 20 0 BCADHN COC[C@H](Cc1ccccc1)N[C@H](C)C(N)=O ZINC000164547086 538933524 /nfs/dbraw/zinc/93/35/24/538933524.db2.gz GWSFQETYNSOVGP-PWSUYJOCSA-N 0 3 236.315 0.708 20 0 BCADHN CC(C)CC(=O)NCCN1CC[C@H](O)C1 ZINC000629909143 361761608 /nfs/dbraw/zinc/76/16/08/361761608.db2.gz HINPNOKBRDGYQO-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN CNC(=O)[C@]1(C)CCN(Cc2cncnc2)C1 ZINC000430761167 398230865 /nfs/dbraw/zinc/23/08/65/398230865.db2.gz JIUDFDOONDFHCT-GFCCVEGCSA-N 0 3 234.303 0.435 20 0 BCADHN C[C@@H]1CN(C)CCN1C(=O)[C@H]1CCCN1C ZINC000334317552 136225305 /nfs/dbraw/zinc/22/53/05/136225305.db2.gz QPIRVTMACBGXHE-GHMZBOCLSA-N 0 3 225.336 0.243 20 0 BCADHN Cn1cc(CCN2CC[C@H]3COC[C@H]3C2)nn1 ZINC000625556886 343990448 /nfs/dbraw/zinc/99/04/48/343990448.db2.gz LZKGJKOXNIAJNL-WDEREUQCSA-N 0 3 236.319 0.326 20 0 BCADHN CN(CC(=O)NC[C@H]1CCCN1C)C1CCC1 ZINC000629952643 361797447 /nfs/dbraw/zinc/79/74/47/361797447.db2.gz PZLNEEOZSDRHEG-GFCCVEGCSA-N 0 3 239.363 0.681 20 0 BCADHN O=C(CCc1cn[nH]c1)N[C@@H]1CCN(C2CC2)C1 ZINC000629952008 361797577 /nfs/dbraw/zinc/79/75/77/361797577.db2.gz HKAQCJPLJGYAJM-LLVKDONJSA-N 0 3 248.330 0.695 20 0 BCADHN CN(C)CCNC(=O)CN(C)C1CCC1 ZINC000629943588 361788040 /nfs/dbraw/zinc/78/80/40/361788040.db2.gz QUBMEJBHTAQYCR-UHFFFAOYSA-N 0 3 213.325 0.149 20 0 BCADHN CN(CCNC(=O)CCc1c[nH]cn1)C1CC1 ZINC000280706143 538937758 /nfs/dbraw/zinc/93/77/58/538937758.db2.gz WSWLLSXOHRGRSN-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN C[C@H](CNC(=O)CCc1cn[nH]c1)N(C)C ZINC000629947412 361790944 /nfs/dbraw/zinc/79/09/44/361790944.db2.gz NYXCNLONFRHRBM-SECBINFHSA-N 0 3 224.308 0.409 20 0 BCADHN Cc1cc([C@H](C)NC[C@H](O)CN(C)C)nn1C ZINC000330372603 178250250 /nfs/dbraw/zinc/25/02/50/178250250.db2.gz BWBQYINBBDCWBS-QWRGUYRKSA-N 0 3 240.351 0.302 20 0 BCADHN Cc1cc([C@H](C)NC[C@]2(O)CCN(C)C2)no1 ZINC000330804494 178250954 /nfs/dbraw/zinc/25/09/54/178250954.db2.gz GAIMUFBLANIATC-CMPLNLGQSA-N 0 3 239.319 0.700 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N1CC[C@H]([C@H](C)O)C1 ZINC000252790460 136226960 /nfs/dbraw/zinc/22/69/60/136226960.db2.gz YVRSADADDGZDBL-SRVKXCTJSA-N 0 3 242.363 0.850 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CCOC[C@H]1C ZINC000432439323 398237019 /nfs/dbraw/zinc/23/70/19/398237019.db2.gz BNXVLRKMOFFKLW-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CN(C)c1cc(C(=O)N2CCCNCC2)ccn1 ZINC000269108565 187333999 /nfs/dbraw/zinc/33/39/99/187333999.db2.gz DAIIRTMTRDETRZ-UHFFFAOYSA-N 0 3 248.330 0.583 20 0 BCADHN C[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1nnc[n-]1 ZINC000629967344 361812158 /nfs/dbraw/zinc/81/21/58/361812158.db2.gz LPMXPESNZGFRKA-MRVPVSSYSA-N 0 3 237.307 0.466 20 0 BCADHN C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)c1nnc[n-]1 ZINC000629967344 361812163 /nfs/dbraw/zinc/81/21/63/361812163.db2.gz LPMXPESNZGFRKA-MRVPVSSYSA-N 0 3 237.307 0.466 20 0 BCADHN C[C@]1(O)CCCN(CCN2CCNC2=O)CC1 ZINC000230378305 136228206 /nfs/dbraw/zinc/22/82/06/136228206.db2.gz GPFFRTGBKAAOKV-LBPRGKRZSA-N 0 3 241.335 0.249 20 0 BCADHN CNC(=O)CCCN(C)CCc1cnccn1 ZINC000576475379 365604859 /nfs/dbraw/zinc/60/48/59/365604859.db2.gz CSNSPFXTDDSIMV-UHFFFAOYSA-N 0 3 236.319 0.477 20 0 BCADHN CN(CC(=O)N1CC[C@H](CO)C1)C1CCC1 ZINC000629974310 361822611 /nfs/dbraw/zinc/82/26/11/361822611.db2.gz GSNBZFSYOGMGFW-JTQLQIEISA-N 0 3 226.320 0.312 20 0 BCADHN CO[C@@H](C)CN(C)C1(C(N)=O)CCCC1 ZINC000182366030 398242324 /nfs/dbraw/zinc/24/23/24/398242324.db2.gz QLKIMGLPHYQJNM-VIFPVBQESA-N 0 3 214.309 0.751 20 0 BCADHN CC[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC000629977018 361820435 /nfs/dbraw/zinc/82/04/35/361820435.db2.gz GHAIWRZKUYSALH-CMPLNLGQSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@](C)(CN1CCN(CCO)[C@H](C)C1)OC ZINC000639095881 398243295 /nfs/dbraw/zinc/24/32/95/398243295.db2.gz VFHJSHPUUMRJBP-CHWSQXEVSA-N 0 3 244.379 0.800 20 0 BCADHN CN(C)CCN[C@@H]1CCCc2nn(C)cc21 ZINC000336778181 398244031 /nfs/dbraw/zinc/24/40/31/398244031.db2.gz KOHSDJITHOTWOU-LLVKDONJSA-N 0 3 222.336 0.949 20 0 BCADHN COC[C@H]1CN(C(=O)[C@H](C)NC2CC2)CCO1 ZINC000576515702 365614557 /nfs/dbraw/zinc/61/45/57/365614557.db2.gz QZOJKHDVJXAVPC-GXSJLCMTSA-N 0 3 242.319 0.001 20 0 BCADHN CCC[C@@]1(NCC(=O)NCC)CCOC1 ZINC000356387764 398247881 /nfs/dbraw/zinc/24/78/81/398247881.db2.gz ARAZVTLBRKFVQZ-LLVKDONJSA-N 0 3 214.309 0.671 20 0 BCADHN CCC(CC)CS(=O)(=O)N(C)C1CNC1 ZINC000336673495 168366832 /nfs/dbraw/zinc/36/68/32/168366832.db2.gz JYJCRFXUGMCUIZ-UHFFFAOYSA-N 0 3 234.365 0.656 20 0 BCADHN CN(CC(=O)N1CCC(CO)CC1)C1CCC1 ZINC000629975169 361823890 /nfs/dbraw/zinc/82/38/90/361823890.db2.gz NQTIZRHZTAGTOC-UHFFFAOYSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H](O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000526045356 259309922 /nfs/dbraw/zinc/30/99/22/259309922.db2.gz MJIOYGBHLPTGFW-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)[C@@H](C)CN1 ZINC000083118218 349538050 /nfs/dbraw/zinc/53/80/50/349538050.db2.gz BBZSZLYHXXYLIK-VWYCJHECSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCc2ccc(=O)[nH]c2)C1 ZINC000576646581 365648526 /nfs/dbraw/zinc/64/85/26/365648526.db2.gz FKTPSDHVGSTZKU-SNVBAGLBSA-N 0 3 249.314 0.745 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000384621085 398259491 /nfs/dbraw/zinc/25/94/91/398259491.db2.gz PYVKTVJYPLYTLL-UTINFBMNSA-N 0 3 214.309 0.652 20 0 BCADHN CCN(CC(=O)N(C)C)C(=O)[C@H]1CCCCN1 ZINC000036200234 398257468 /nfs/dbraw/zinc/25/74/68/398257468.db2.gz CXLHUEHQWHWCIZ-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)C1CC(F)(F)C1 ZINC000383388052 398257904 /nfs/dbraw/zinc/25/79/04/398257904.db2.gz OBVUJAPEZKEHGG-QMMMGPOBSA-N 0 3 234.246 0.136 20 0 BCADHN CO[C@](C)(CNCC(=O)NCC1CC1)C1CC1 ZINC000383826886 398258804 /nfs/dbraw/zinc/25/88/04/398258804.db2.gz XEVUDUGHHBHHKY-CYBMUJFWSA-N 0 3 240.347 0.917 20 0 BCADHN CN[C@@H](C)c1cn(CCn2ccnc2C)nn1 ZINC000384074986 398258841 /nfs/dbraw/zinc/25/88/41/398258841.db2.gz RPHSUBZLLOIAMC-VIFPVBQESA-N 0 3 234.307 0.764 20 0 BCADHN COc1cc(F)cc(CNCCOCCO)c1 ZINC000312502891 259310990 /nfs/dbraw/zinc/31/09/90/259310990.db2.gz HCFAWBJBERZYQQ-UHFFFAOYSA-N 0 3 243.278 0.933 20 0 BCADHN CC[C@@H](C(=O)NCc1cncn1C)N(C)C ZINC000291123254 538947804 /nfs/dbraw/zinc/94/78/04/538947804.db2.gz DPCLHLOBZNAIPS-JTQLQIEISA-N 0 3 224.308 0.377 20 0 BCADHN CN(C(=O)[C@@H]1NCC1(C)C)[C@@H]1CCOC1 ZINC000381870664 398255143 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/nfs/dbraw/zinc/56/15/96/349561596.db2.gz GCJNCEPDSQCNQK-SKDRFNHKSA-N 0 3 242.319 0.396 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@@H]1NCC1(C)C ZINC000381586202 398265371 /nfs/dbraw/zinc/26/53/71/398265371.db2.gz HQLJOMPWVMHXHW-IUCAKERBSA-N 0 3 214.309 0.383 20 0 BCADHN C[C@H](N[C@@H]1CCCN(C)[C@H]1C)c1nnnn1C ZINC000345132564 136232614 /nfs/dbraw/zinc/23/26/14/136232614.db2.gz MSRQYIQJAAIKPP-LPEHRKFASA-N 0 3 238.339 0.343 20 0 BCADHN COCCn1cc(CN[C@@H]2CC[C@H]2O)cn1 ZINC000378740901 346820657 /nfs/dbraw/zinc/82/06/57/346820657.db2.gz PDPSSZATFVDQNM-GHMZBOCLSA-N 0 3 225.292 0.142 20 0 BCADHN C[C@H](N[C@@H]1CCCN(C)[C@@H]1C)c1nnnn1C ZINC000345132562 136232622 /nfs/dbraw/zinc/23/26/22/136232622.db2.gz MSRQYIQJAAIKPP-IVZWLZJFSA-N 0 3 238.339 0.343 20 0 BCADHN COC[C@@H](C)CNCc1cc(C(N)=O)co1 ZINC000188581763 346823827 /nfs/dbraw/zinc/82/38/27/346823827.db2.gz YXHCCKKOHYGZNG-QMMMGPOBSA-N 0 3 226.276 0.751 20 0 BCADHN CCN[C@@H](C)C(=O)N(CC(=O)OCC)C1CC1 ZINC000602498713 349559627 /nfs/dbraw/zinc/55/96/27/349559627.db2.gz FPGBZSJYWXILTP-VIFPVBQESA-N 0 3 242.319 0.539 20 0 BCADHN Cc1nnsc1CNCC(C)(C)OCCO ZINC000381624679 398267750 /nfs/dbraw/zinc/26/77/50/398267750.db2.gz KMCDDHHJVWFJLN-UHFFFAOYSA-N 0 3 245.348 0.724 20 0 BCADHN CCN[C@H](C)C(=O)N(CC(=O)OCC)C1CC1 ZINC000602498712 349559866 /nfs/dbraw/zinc/55/98/66/349559866.db2.gz FPGBZSJYWXILTP-SECBINFHSA-N 0 3 242.319 0.539 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)CCC(=O)OCC ZINC000602502373 349561223 /nfs/dbraw/zinc/56/12/23/349561223.db2.gz FWULBDRSICIGJG-NXEZZACHSA-N 0 3 244.335 0.832 20 0 BCADHN CCCN(CC(N)=O)C(=O)C1CCN(C)CC1 ZINC000346944087 136233986 /nfs/dbraw/zinc/23/39/86/136233986.db2.gz NUBUKVHNEGIQAG-UHFFFAOYSA-N 0 3 241.335 0.052 20 0 BCADHN CCC(CC)N(CCOC)C(=O)[C@H](C)N ZINC000037812375 168374860 /nfs/dbraw/zinc/37/48/60/168374860.db2.gz CLHLSVVELQCJFH-VIFPVBQESA-N 0 3 216.325 0.997 20 0 BCADHN COCC[C@H](C)NCc1cc(C(=O)OC)no1 ZINC000602527159 349578552 /nfs/dbraw/zinc/57/85/52/349578552.db2.gz LTQPNEJQSNNWPB-QMMMGPOBSA-N 0 3 242.275 0.976 20 0 BCADHN COC[C@H](C)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000090181053 398270587 /nfs/dbraw/zinc/27/05/87/398270587.db2.gz UFLFVPCEEMWXFH-DTWKUNHWSA-N 0 3 212.293 0.374 20 0 BCADHN CS[C@@H]1CN(C(=O)CN(C)C)C[C@H]1N(C)C ZINC000344738175 398270802 /nfs/dbraw/zinc/27/08/02/398270802.db2.gz LTWOOQMFHXLLIF-NXEZZACHSA-N 0 3 245.392 0.052 20 0 BCADHN COC[C@]1(C)CN(C[C@H](O)C(C)C)CCO1 ZINC000626177116 346834230 /nfs/dbraw/zinc/83/42/30/346834230.db2.gz FXLBFAIDHXXJST-RYUDHWBXSA-N 0 3 231.336 0.741 20 0 BCADHN COC[C@@H](C)CNCc1cc(C(=O)OC)no1 ZINC000602533339 349601321 /nfs/dbraw/zinc/60/13/21/349601321.db2.gz WXJDGNJBYUUQQQ-QMMMGPOBSA-N 0 3 242.275 0.833 20 0 BCADHN CCC(CC)NC(=O)CCOC1CNC1 ZINC000336683313 168377480 /nfs/dbraw/zinc/37/74/80/168377480.db2.gz QEIFWRJIJQAHMI-UHFFFAOYSA-N 0 3 214.309 0.670 20 0 BCADHN CC(C)CN1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000649471827 398273285 /nfs/dbraw/zinc/27/32/85/398273285.db2.gz KPFHVJVYVSXNML-LBPRGKRZSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@@H](Cn1cccn1)NC(=O)[C@@H]1NCC1(C)C ZINC000645446857 398273288 /nfs/dbraw/zinc/27/32/88/398273288.db2.gz QMYYCLPMONMNRG-UWVGGRQHSA-N 0 3 236.319 0.386 20 0 BCADHN COC[C@@H]1CN(C[C@@H]2CCCC[C@H]2O)CCO1 ZINC000583910136 342679779 /nfs/dbraw/zinc/67/97/79/342679779.db2.gz VHCHVRLBTCNLQH-RWMBFGLXSA-N 0 3 243.347 0.885 20 0 BCADHN COc1cc(CNC(=O)[C@H](C)N)ccc1O ZINC000083353190 398278024 /nfs/dbraw/zinc/27/80/24/398278024.db2.gz LLEVNJKNZSGSMV-ZETCQYMHSA-N 0 3 224.260 0.364 20 0 BCADHN CCOC(=O)C(CC)(CC)CNC(=O)[C@H](C)N ZINC000602587539 349612337 /nfs/dbraw/zinc/61/23/37/349612337.db2.gz GUXCOJUZDBUQDK-VIFPVBQESA-N 0 3 244.335 0.819 20 0 BCADHN CC(C)(N)C(=O)NCc1ccc2c(c1)CCO2 ZINC000083360949 398278180 /nfs/dbraw/zinc/27/81/80/398278180.db2.gz IONNNRINURTSOP-UHFFFAOYSA-N 0 3 234.299 0.975 20 0 BCADHN C[C@@H](CSCCF)N(CCO)CCO ZINC000600179098 342696791 /nfs/dbraw/zinc/69/67/91/342696791.db2.gz HTJOXXPKFKEIID-VIFPVBQESA-N 0 3 225.329 0.364 20 0 BCADHN CN(C)C[C@H]1CCN(C(=O)C2CC(=O)C2)C1 ZINC000182583455 538963651 /nfs/dbraw/zinc/96/36/51/538963651.db2.gz DSRVPWMQLQKUEN-SECBINFHSA-N 0 3 224.304 0.376 20 0 BCADHN COC1(C)CCN([C@H]2CCNC2=O)CC1 ZINC000335558413 536567290 /nfs/dbraw/zinc/56/72/90/536567290.db2.gz YQSUHRAAVBEQLM-VIFPVBQESA-N 0 3 212.293 0.376 20 0 BCADHN COCCNCCNC(=O)N1CC[C@@H](C)C1 ZINC000418497680 192042217 /nfs/dbraw/zinc/04/22/17/192042217.db2.gz KQJFFZFQGWCPHC-SNVBAGLBSA-N 0 3 229.324 0.274 20 0 BCADHN CCC[C@](C)(CO)NCc1cnnn1C ZINC000165525539 361841572 /nfs/dbraw/zinc/84/15/72/361841572.db2.gz RXIAIAVLIBDPNG-SNVBAGLBSA-N 0 3 212.297 0.456 20 0 BCADHN CCC[C@@](C)(CO)NCc1cnnn1C ZINC000165525415 361842213 /nfs/dbraw/zinc/84/22/13/361842213.db2.gz RXIAIAVLIBDPNG-JTQLQIEISA-N 0 3 212.297 0.456 20 0 BCADHN CO[C@H]1CCCC[C@H]1NCc1cnnn1C ZINC000165506400 361842271 /nfs/dbraw/zinc/84/22/71/361842271.db2.gz MDBXNLHPHGSJIT-MNOVXSKESA-N 0 3 224.308 0.862 20 0 BCADHN Cc1ccc([C@@H](N)C(=O)N2CCNCC2)cc1 ZINC000082653077 398277158 /nfs/dbraw/zinc/27/71/58/398277158.db2.gz YPUJPQFHQUXMAZ-GFCCVEGCSA-N 0 3 233.315 0.427 20 0 BCADHN CN(CC[NH+](C)C)C(=O)c1cncc([O-])c1 ZINC000082651059 398277233 /nfs/dbraw/zinc/27/72/33/398277233.db2.gz XEUMPMLYWOSZRB-UHFFFAOYSA-N 0 3 223.276 0.421 20 0 BCADHN CCCCCC(=O)NCCNCCOC ZINC000212820894 342716033 /nfs/dbraw/zinc/71/60/33/342716033.db2.gz HPAYUAFGXLLPKS-UHFFFAOYSA-N 0 3 216.325 0.919 20 0 BCADHN CCC(CC)NC(=O)[C@@H](C)N1CCNCC1 ZINC000034939721 168382118 /nfs/dbraw/zinc/38/21/18/168382118.db2.gz WKLJOOJWPDKPPA-SNVBAGLBSA-N 0 3 227.352 0.585 20 0 BCADHN Cc1cccc(CCN2C[C@H](O)[C@@H](CO)C2)n1 ZINC000399784534 342741845 /nfs/dbraw/zinc/74/18/45/342741845.db2.gz MMULNXXFBWGDFS-YPMHNXCESA-N 0 3 236.315 0.218 20 0 BCADHN COC(=O)[C@@H]1CCN(CCc2cnccn2)C1 ZINC000402601326 342743738 /nfs/dbraw/zinc/74/37/38/342743738.db2.gz KNRCPFWLVQGLDU-SNVBAGLBSA-N 0 3 235.287 0.514 20 0 BCADHN CO[C@@H](C)CN[C@@H](C)CS(C)(=O)=O ZINC000167090442 361862144 /nfs/dbraw/zinc/86/21/44/361862144.db2.gz 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BCADHN CC(=O)NC(C)(C)C(=O)NCCN1CCCC1 ZINC000588705323 398280781 /nfs/dbraw/zinc/28/07/81/398280781.db2.gz UAWJBPSTRFJVEL-UHFFFAOYSA-N 0 3 241.335 0.113 20 0 BCADHN CC[C@H](O)CN[C@@H](C)C(=O)N(C)CC ZINC000231852025 342740161 /nfs/dbraw/zinc/74/01/61/342740161.db2.gz RGMZMPNEHPJZPR-IUCAKERBSA-N 0 3 202.298 0.214 20 0 BCADHN CO[C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC000629991987 361877737 /nfs/dbraw/zinc/87/77/37/361877737.db2.gz LWCJAUIMFIQXFS-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@H](CO)N(C)C(=O)CN(C)C1CCC1 ZINC000629995978 361880284 /nfs/dbraw/zinc/88/02/84/361880284.db2.gz NXPINIUTGFDGOZ-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN CN(CC(=O)N1CCC[C@H](O)CC1)C1CCC1 ZINC000629996747 361881002 /nfs/dbraw/zinc/88/10/02/361881002.db2.gz YRFOUFWMUYPROD-LBPRGKRZSA-N 0 3 240.347 0.844 20 0 BCADHN Nc1cccc(CN[C@@H]2CCC(=O)NC2=O)c1 ZINC000146812648 342772977 /nfs/dbraw/zinc/77/29/77/342772977.db2.gz QJYDCDISPXXYDA-SNVBAGLBSA-N 0 3 233.271 0.164 20 0 BCADHN CCCCN1CC[C@H](S(N)(=O)=O)C1 ZINC000308212565 398282841 /nfs/dbraw/zinc/28/28/41/398282841.db2.gz HFNDBRAJGUDRKU-QMMMGPOBSA-N 0 3 206.311 0.149 20 0 BCADHN CN1CCC[C@H](N[C@H]2C[C@@H](O)C2(C)C)C1=O ZINC000309644127 342775257 /nfs/dbraw/zinc/77/52/57/342775257.db2.gz LQLORIRCQIRHSI-LPEHRKFASA-N 0 3 226.320 0.356 20 0 BCADHN COC[C@H](OC)C(=O)N(C)C[C@H]1CCCN1C ZINC000616386331 342751262 /nfs/dbraw/zinc/75/12/62/342751262.db2.gz RCNDNJPZGSYTQB-MNOVXSKESA-N 0 3 244.335 0.200 20 0 BCADHN C[C@H](CCO)N(C)C(=O)CN(C)C1CCC1 ZINC000630010069 361894170 /nfs/dbraw/zinc/89/41/70/361894170.db2.gz IRYHHOBZXUUOOA-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@@H]21 ZINC000630005345 361895167 /nfs/dbraw/zinc/89/51/67/361895167.db2.gz FSBOKGFXQVBDAR-NEPJUHHUSA-N 0 3 248.330 0.505 20 0 BCADHN CCC(CC)NS(=O)(=O)[C@H]1CCCNC1 ZINC000019489155 168390013 /nfs/dbraw/zinc/39/00/13/168390013.db2.gz XKKWVSIKSGJHGC-JTQLQIEISA-N 0 3 234.365 0.846 20 0 BCADHN COCCNCCNC(=O)NC1(C(C)C)CC1 ZINC000418504246 192044244 /nfs/dbraw/zinc/04/42/44/192044244.db2.gz AQWMIDVJXKOALZ-UHFFFAOYSA-N 0 3 243.351 0.710 20 0 BCADHN COCCNCCNC(=O)N(C)CC(C)C ZINC000418504207 192044270 /nfs/dbraw/zinc/04/42/70/192044270.db2.gz AGKUPOUXEZRNAF-UHFFFAOYSA-N 0 3 231.340 0.520 20 0 BCADHN CN(CCN1CCCC1)C(=O)[C@H]1CCCO1 ZINC000074917598 342786196 /nfs/dbraw/zinc/78/61/96/342786196.db2.gz LQDGFVUYSGEJRZ-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN CCCN(CC)C(=O)NCCNCCOC ZINC000418504535 192044326 /nfs/dbraw/zinc/04/43/26/192044326.db2.gz BWWBDVLUTNTUAH-UHFFFAOYSA-N 0 3 231.340 0.664 20 0 BCADHN CC1(C)[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]21 ZINC000607752762 342789392 /nfs/dbraw/zinc/78/93/92/342789392.db2.gz CYXJYTCJZVIEOY-AOOOYVTPSA-N 0 3 236.315 0.723 20 0 BCADHN COCCNCCNC(=O)NC(C)(C)CF ZINC000418505612 192044585 /nfs/dbraw/zinc/04/45/85/192044585.db2.gz FRPCVFBHTXPPBQ-UHFFFAOYSA-N 0 3 235.303 0.270 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1CCCN1C)[C@@H](C)O ZINC000630022157 361903065 /nfs/dbraw/zinc/90/30/65/361903065.db2.gz 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0.693 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C[C@H](O)C[C@](C)(O)C1CC1 ZINC000630047748 361915610 /nfs/dbraw/zinc/91/56/10/361915610.db2.gz WHKHHSSZVAWVMM-JHEVNIALSA-N 0 3 243.347 0.354 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000630047750 361915655 /nfs/dbraw/zinc/91/56/55/361915655.db2.gz WHKHHSSZVAWVMM-MGAJPHDKSA-N 0 3 243.347 0.354 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)[C@@H](C)CO ZINC000151187567 323012702 /nfs/dbraw/zinc/01/27/02/323012702.db2.gz CNXGUMNDNOSTMV-UWVGGRQHSA-N 0 3 216.325 0.461 20 0 BCADHN CCN(CCO)CCNCc1ccncc1F ZINC000449250432 398288280 /nfs/dbraw/zinc/28/82/80/398288280.db2.gz OOSPUYRFXAUISG-UHFFFAOYSA-N 0 3 241.310 0.625 20 0 BCADHN CC1(C)CN(C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000630049232 361918517 /nfs/dbraw/zinc/91/85/17/361918517.db2.gz RGEHKVLGRZKWKO-NSHDSACASA-N 0 3 243.347 0.621 20 0 BCADHN CCN(C)CCNC(=O)c1csc(CN)n1 ZINC000085545442 398288604 /nfs/dbraw/zinc/28/86/04/398288604.db2.gz AKTNEBROYYVSLG-UHFFFAOYSA-N 0 3 242.348 0.283 20 0 BCADHN COCCCN(CCOC)C[C@@H]1CCC(=O)N1 ZINC000649493381 398288961 /nfs/dbraw/zinc/28/89/61/398288961.db2.gz KMMAMCJZWYDTMG-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CC[C@@H](C)N(C)C(=O)NCCNCCOC ZINC000418513686 192045736 /nfs/dbraw/zinc/04/57/36/192045736.db2.gz VKEUCFMVJMBJIA-SNVBAGLBSA-N 0 3 231.340 0.662 20 0 BCADHN CCSCCN[C@H](C)C(=O)N(C)C ZINC000128902677 398290172 /nfs/dbraw/zinc/29/01/72/398290172.db2.gz GFYWSJIYLVVYGE-MRVPVSSYSA-N 0 3 204.339 0.806 20 0 BCADHN Cc1cnc(C(=O)N2C[C@H](C)NC[C@H]2C)cn1 ZINC000086468115 398292400 /nfs/dbraw/zinc/29/24/00/398292400.db2.gz BCIDYJDBWCINOS-VHSXEESVSA-N 0 3 234.303 0.607 20 0 BCADHN CCN(C(=O)c1cc[nH]n1)C1CCN(C)CC1 ZINC000627620086 342834826 /nfs/dbraw/zinc/83/48/26/342834826.db2.gz HTDAZFVZIAKVSZ-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN CCN(C(=O)c1ccn[nH]1)C1CCN(C)CC1 ZINC000627620086 342834827 /nfs/dbraw/zinc/83/48/27/342834827.db2.gz HTDAZFVZIAKVSZ-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN Cc1cnc(C)c(NCCN2CC[C@H](O)C2)n1 ZINC000624773694 342827558 /nfs/dbraw/zinc/82/75/58/342827558.db2.gz CHRPDIZPWWEIPY-NSHDSACASA-N 0 3 236.319 0.572 20 0 BCADHN Cc1cnn(C)c1CNCC1(CO)CC1 ZINC000380319998 538989304 /nfs/dbraw/zinc/98/93/04/538989304.db2.gz KEAWYJQBPBUILQ-UHFFFAOYSA-N 0 3 209.293 0.591 20 0 BCADHN COc1ccsc1CNC[C@@](C)(O)CO ZINC000380333543 538989343 /nfs/dbraw/zinc/98/93/43/538989343.db2.gz PDROGLJTUYKUBU-SNVBAGLBSA-N 0 3 231.317 0.590 20 0 BCADHN Cc1c[nH]nc1CN[C@H]1CCCN(C)C1 ZINC000380357223 538989486 /nfs/dbraw/zinc/98/94/86/538989486.db2.gz XCVAKBXGNUZYBM-JTQLQIEISA-N 0 3 208.309 0.902 20 0 BCADHN CCCCOC[C@H](O)CN[C@H]1CC[S@](=O)C1 ZINC000583989374 342830162 /nfs/dbraw/zinc/83/01/62/342830162.db2.gz AEASEMVBPSDBRA-USBNGQNGSA-N 0 3 249.376 0.275 20 0 BCADHN COCCNCCNC(=O)N(C)[C@H]1CC1(C)C ZINC000418515787 192046207 /nfs/dbraw/zinc/04/62/07/192046207.db2.gz YOICLZVOKGTJBD-JTQLQIEISA-N 0 3 243.351 0.662 20 0 BCADHN COC[C@@](C)(CO)NCc1ccncc1 ZINC000380005825 538983854 /nfs/dbraw/zinc/98/38/54/538983854.db2.gz LARRLEHVFLBJNT-LLVKDONJSA-N 0 3 210.277 0.569 20 0 BCADHN COc1ncccc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000086467386 398292180 /nfs/dbraw/zinc/29/21/80/398292180.db2.gz BHNQSWFVTLVYHB-NXEZZACHSA-N 0 3 249.314 0.913 20 0 BCADHN CC(C)[C@H](CCO)NCc1cn(C)cn1 ZINC000380090582 538984852 /nfs/dbraw/zinc/98/48/52/538984852.db2.gz MYRUELMESFYJQX-NSHDSACASA-N 0 3 211.309 0.917 20 0 BCADHN CC(C)[C@@H](CCO)NCc1cn(C)cn1 ZINC000380090580 538984869 /nfs/dbraw/zinc/98/48/69/538984869.db2.gz MYRUELMESFYJQX-LLVKDONJSA-N 0 3 211.309 0.917 20 0 BCADHN C[C@H](NCc1cn[nH]c1)[C@H]1CN(C)CCO1 ZINC000381509290 539002846 /nfs/dbraw/zinc/00/28/46/539002846.db2.gz QOFKDAHUPLYTFP-GXSJLCMTSA-N 0 3 224.308 0.218 20 0 BCADHN C[C@@H](CN(C)C)Nc1cc2c(nn1)CCC2 ZINC000381604810 539004541 /nfs/dbraw/zinc/00/45/41/539004541.db2.gz PNNJVCHEMJEUIC-VIFPVBQESA-N 0 3 220.320 0.749 20 0 BCADHN CO[C@@]1(CNCc2cc(C)[nH]n2)CCOC1 ZINC000381747680 539006278 /nfs/dbraw/zinc/00/62/78/539006278.db2.gz QJEQEQJDPRYRKN-LLVKDONJSA-N 0 3 225.292 0.613 20 0 BCADHN CO[C@@]1(CNCc2cc(C)n[nH]2)CCOC1 ZINC000381747680 539006280 /nfs/dbraw/zinc/00/62/80/539006280.db2.gz QJEQEQJDPRYRKN-LLVKDONJSA-N 0 3 225.292 0.613 20 0 BCADHN C=Cn1cc(CNCCCn2cncn2)cn1 ZINC000381745567 539006488 /nfs/dbraw/zinc/00/64/88/539006488.db2.gz CMLQISDEHBIIRJ-UHFFFAOYSA-N 0 3 232.291 0.755 20 0 BCADHN CC[C@@H](N[C@H]1CCCC[C@@H]1OC)C(N)=O ZINC000381987809 539008137 /nfs/dbraw/zinc/00/81/37/539008137.db2.gz GXUKNEJVQGWIAY-UTLUCORTSA-N 0 3 214.309 0.798 20 0 BCADHN CSCC[C@@H](N)C(=O)N1CCn2nccc21 ZINC000602604959 349627538 /nfs/dbraw/zinc/62/75/38/349627538.db2.gz SIAJEVMKEFXHNK-MRVPVSSYSA-N 0 3 240.332 0.310 20 0 BCADHN CCn1cc(CNC[C@](C)(O)COC)cn1 ZINC000069911857 342839074 /nfs/dbraw/zinc/83/90/74/342839074.db2.gz HPCKFTHPJHHOFU-NSHDSACASA-N 0 3 227.308 0.390 20 0 BCADHN Cc1nn(C)cc1CN[C@@H](CO)CC1CC1 ZINC000381392244 538999918 /nfs/dbraw/zinc/99/99/18/538999918.db2.gz OKADZYOAXWTZKO-GFCCVEGCSA-N 0 3 223.320 0.979 20 0 BCADHN COC(=O)[C@H](C)CN(C)C[C@](C)(O)C(C)=O ZINC000347743922 536604648 /nfs/dbraw/zinc/60/46/48/536604648.db2.gz AITURKDATDNNEI-KCJUWKMLSA-N 0 3 231.292 0.067 20 0 BCADHN Oc1cccc(CNCCN2CC[C@H](O)C2)c1 ZINC000623836006 342842558 /nfs/dbraw/zinc/84/25/58/342842558.db2.gz HHYCAMWHGVTBIV-ZDUSSCGKSA-N 0 3 236.315 0.548 20 0 BCADHN COCCC(=O)NCCN1CC[C@@H](C)C1 ZINC000562294412 323015201 /nfs/dbraw/zinc/01/52/01/323015201.db2.gz ZEWALPWNASPAAV-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1cc[nH]n1 ZINC000525485144 259324804 /nfs/dbraw/zinc/32/48/04/259324804.db2.gz PRYKMJCRJAZWJB-UWVGGRQHSA-N 0 3 236.319 0.899 20 0 BCADHN C[C@@H]1CN(CCc2cnn(C)c2)C[C@H](C)N1C ZINC000335633667 136241747 /nfs/dbraw/zinc/24/17/47/136241747.db2.gz XPWPHQRPVGOZPJ-TXEJJXNPSA-N 0 3 236.363 0.987 20 0 BCADHN CS(=O)(=O)C1(CNC2CSC2)CC1 ZINC000388219970 539014776 /nfs/dbraw/zinc/01/47/76/539014776.db2.gz HTKUHRZRDSCRPT-UHFFFAOYSA-N 0 3 221.347 0.269 20 0 BCADHN CC(C)COC[C@@H](O)CNC1CSC1 ZINC000389250147 539015401 /nfs/dbraw/zinc/01/54/01/539015401.db2.gz CFVCHEYKBVMJIA-JTQLQIEISA-N 0 3 219.350 0.725 20 0 BCADHN O=C(Cc1cccnc1)N[C@@H]1CCN(C2CC2)C1 ZINC000348849362 136241955 /nfs/dbraw/zinc/24/19/55/136241955.db2.gz NZHKKYMNLAJVIA-GFCCVEGCSA-N 0 3 245.326 0.977 20 0 BCADHN c1n[nH]cc1CNCCCO[C@H]1CCOC1 ZINC000390134460 539019721 /nfs/dbraw/zinc/01/97/21/539019721.db2.gz LIQUCEAKPFOWGQ-NSHDSACASA-N 0 3 225.292 0.695 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccccc1 ZINC000011954040 342844769 /nfs/dbraw/zinc/84/47/69/342844769.db2.gz ABAMWNMKCSAYNQ-LBPRGKRZSA-N 0 3 249.314 0.725 20 0 BCADHN C[C@@H]1CN(C(=O)N(C)CCN(C)C)C[C@H](C)O1 ZINC000625040049 342845109 /nfs/dbraw/zinc/84/51/09/342845109.db2.gz RHWLWEHPHFONDN-PHIMTYICSA-N 0 3 243.351 0.709 20 0 BCADHN CCOCC[C@@H](O)CN1CCc2cn[nH]c2C1 ZINC000683521111 488184377 /nfs/dbraw/zinc/18/43/77/488184377.db2.gz CPCRAPIXGAASDG-LLVKDONJSA-N 0 3 239.319 0.555 20 0 BCADHN CN(CCC(N)=O)Cc1cccc2c[nH]nc21 ZINC000348850915 136242445 /nfs/dbraw/zinc/24/24/45/136242445.db2.gz WOMVSUGYZOMKTM-UHFFFAOYSA-N 0 3 232.287 0.870 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCc1scnc1C ZINC000583992394 342852418 /nfs/dbraw/zinc/85/24/18/342852418.db2.gz IYEIEDQAPIUIRK-NXEZZACHSA-N 0 3 242.344 0.997 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000037026644 398299939 /nfs/dbraw/zinc/29/99/39/398299939.db2.gz ZGUFHWMTCXIBAG-VIFPVBQESA-N 0 3 239.250 0.600 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000402105646 349631700 /nfs/dbraw/zinc/63/17/00/349631700.db2.gz VZQQCFVHPOALHR-GUBZILKMSA-N 0 3 214.309 0.653 20 0 BCADHN CCN1CCC(NC(=O)C(F)F)CC1 ZINC000233471072 342865785 /nfs/dbraw/zinc/86/57/85/342865785.db2.gz FKPZGNBZVAKEBJ-UHFFFAOYSA-N 0 3 206.236 0.852 20 0 BCADHN C[C@H]1CN(Cc2cccc(C(N)=O)c2)CC[C@@H]1O ZINC000167191046 136244283 /nfs/dbraw/zinc/24/42/83/136244283.db2.gz FJOUHERAEXGIAO-GWCFXTLKSA-N 0 3 248.326 0.988 20 0 BCADHN Cn1cc(CN2CCC[C@H](CO)C2)cn1 ZINC000013568202 342867923 /nfs/dbraw/zinc/86/79/23/342867923.db2.gz QINCLOCRDDDQTG-JTQLQIEISA-N 0 3 209.293 0.624 20 0 BCADHN CC(C)NCC(=O)N[C@@H](C)C1CCOCC1 ZINC000232666393 342868157 /nfs/dbraw/zinc/86/81/57/342868157.db2.gz VQGGCKIWUNUMRV-JTQLQIEISA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@H](C)[C@H](O)CNCc1cnnn1CC ZINC000417925015 398306118 /nfs/dbraw/zinc/30/61/18/398306118.db2.gz XWGGHNSSMFIERS-GXSJLCMTSA-N 0 3 226.324 0.795 20 0 BCADHN C[C@@H](CCNCc1ccnn1C)[S@](C)=O ZINC000132569704 398307341 /nfs/dbraw/zinc/30/73/41/398307341.db2.gz QGHBKTRGUOHZLH-BJOHPYRUSA-N 0 3 229.349 0.667 20 0 BCADHN CCN(C)S(=O)(=O)NC[C@@H](C)N(C)C1CC1 ZINC000072709465 398308616 /nfs/dbraw/zinc/30/86/16/398308616.db2.gz FHFRJQGBPXCKOW-SECBINFHSA-N 0 3 249.380 0.255 20 0 BCADHN COCC[C@]1(NCc2ccnn2C)CCOC1 ZINC000447064965 201706742 /nfs/dbraw/zinc/70/67/42/201706742.db2.gz CNOSIILDGGJBBP-LBPRGKRZSA-N 0 3 239.319 0.705 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCN2)CO1 ZINC000402105630 349632230 /nfs/dbraw/zinc/63/22/30/349632230.db2.gz 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ZINC000035735712 342891147 /nfs/dbraw/zinc/89/11/47/342891147.db2.gz UOAJUDSNLBEZKH-UTLUCORTSA-N 0 3 214.309 0.620 20 0 BCADHN COC1CC(C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000625190551 342905502 /nfs/dbraw/zinc/90/55/02/342905502.db2.gz DQQCNJACXXMXBN-CXQJBGSLSA-N 0 3 240.347 0.964 20 0 BCADHN CCOC[C@@H](NC(=O)CNC1CC1)C(C)C ZINC000233795791 342912247 /nfs/dbraw/zinc/91/22/47/342912247.db2.gz VHUSNQKNHDZOQS-LLVKDONJSA-N 0 3 228.336 0.916 20 0 BCADHN CO[C@H](C)CN(CC(=O)N(C)C)C(C)C ZINC000351518180 136246728 /nfs/dbraw/zinc/24/67/28/136246728.db2.gz LMRQBAZYKUZOOO-SNVBAGLBSA-N 0 3 216.325 0.820 20 0 BCADHN CN1C(=O)N[C@@]2(CCN([C@@H]3C=CCCC3)C2)C1=O ZINC000264542074 398323993 /nfs/dbraw/zinc/32/39/93/398323993.db2.gz HVYUOUWPEZLBTJ-ZWNOBZJWSA-N 0 3 249.314 0.721 20 0 BCADHN C[C@H](O)CCN(C)CCOC1CCOCC1 ZINC000625184650 342904460 /nfs/dbraw/zinc/90/44/60/342904460.db2.gz RZBVGLKIAWKMRG-NSHDSACASA-N 0 3 231.336 0.885 20 0 BCADHN CNCC(=O)NC[C@H](C)c1nccs1 ZINC000234374198 342921650 /nfs/dbraw/zinc/92/16/50/342921650.db2.gz QCGBFAGTTXPUPW-ZETCQYMHSA-N 0 3 213.306 0.582 20 0 BCADHN C[C@H]1CN(Cc2cnnn2C)[C@@H](C)CN1C ZINC000351572298 136247177 /nfs/dbraw/zinc/24/71/77/136247177.db2.gz CUNFQSDQGRWATI-UWVGGRQHSA-N 0 3 223.324 0.340 20 0 BCADHN CCOC(=O)C[C@H](O)CN[C@@]1(C)CCO[C@@H]1C ZINC000233991008 342924380 /nfs/dbraw/zinc/92/43/80/342924380.db2.gz CKXWNNINFUNIBH-SCVCMEIPSA-N 0 3 245.319 0.458 20 0 BCADHN CO[C@H]1CCN(CCc2cn(C)nn2)C1 ZINC000625212259 342914696 /nfs/dbraw/zinc/91/46/96/342914696.db2.gz MBQQKZDQQGICAJ-JTQLQIEISA-N 0 3 210.281 0.078 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000037472977 398324749 /nfs/dbraw/zinc/32/47/49/398324749.db2.gz CIOTWAGKGVOFSK-SCZZXKLOSA-N 0 3 204.273 0.790 20 0 BCADHN CC[C@@H](C)N(C)CC(=O)N1CCNCC1 ZINC000037110206 342920896 /nfs/dbraw/zinc/92/08/96/342920896.db2.gz OBUYEKHSKXOYGJ-SNVBAGLBSA-N 0 3 213.325 0.149 20 0 BCADHN CCN(C(=O)C1CC(OC)C1)[C@@H]1CCN(C)C1 ZINC000628053630 342921064 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/nfs/dbraw/zinc/24/99/00/136249900.db2.gz ASDNKLVSBAZOTC-ZJUUUORDSA-N 0 3 205.273 0.818 20 0 BCADHN CC[C@@H]1CCCCCN1C(=O)C(=O)NCCN ZINC000124367573 398338791 /nfs/dbraw/zinc/33/87/91/398338791.db2.gz VJCNPCCIVYFIDD-SNVBAGLBSA-N 0 3 241.335 0.243 20 0 BCADHN COCCOC[C@@H](O)CNCc1cccnc1 ZINC000234733720 342940579 /nfs/dbraw/zinc/94/05/79/342940579.db2.gz UZMBFZWMLNLWFC-LBPRGKRZSA-N 0 3 240.303 0.195 20 0 BCADHN COCCOC[C@@H](O)CNCc1ccsc1 ZINC000234734531 342940589 /nfs/dbraw/zinc/94/05/89/342940589.db2.gz JORALPOJRRFYNJ-NSHDSACASA-N 0 3 245.344 0.862 20 0 BCADHN C[C@@H](C1CCC1)N(C)CCS(=O)(=O)N(C)C ZINC000351730739 136250330 /nfs/dbraw/zinc/25/03/30/136250330.db2.gz RJCYPQMCPBSJPD-JTQLQIEISA-N 0 3 248.392 0.998 20 0 BCADHN CC[C@@H](C)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000246916219 342937704 /nfs/dbraw/zinc/93/77/04/342937704.db2.gz DBMRCOLKZGTIMG-NXEZZACHSA-N 0 3 234.365 0.799 20 0 BCADHN C[C@H](C1CCC1)N(C)CCS(=O)(=O)N(C)C ZINC000351730740 136250453 /nfs/dbraw/zinc/25/04/53/136250453.db2.gz RJCYPQMCPBSJPD-SNVBAGLBSA-N 0 3 248.392 0.998 20 0 BCADHN CC(C)CCN(C)C(=O)CN1CCNCC1 ZINC000037817953 398334657 /nfs/dbraw/zinc/33/46/57/398334657.db2.gz FSCSITBGMLGPIA-UHFFFAOYSA-N 0 3 227.352 0.396 20 0 BCADHN Cc1nccc(CNC(=O)CNC2CC2)n1 ZINC000038038176 398335854 /nfs/dbraw/zinc/33/58/54/398335854.db2.gz UMDHNDRECCFQKO-UHFFFAOYSA-N 0 3 220.276 0.153 20 0 BCADHN CCCC[C@@H](N)C(=O)NCC(=O)OCC ZINC000037713934 342943455 /nfs/dbraw/zinc/94/34/55/342943455.db2.gz UGTRUMJIYKIWJZ-MRVPVSSYSA-N 0 3 216.281 0.183 20 0 BCADHN COC(=O)[C@@H](O)C1CCN(CCCCF)CC1 ZINC000351752071 136250907 /nfs/dbraw/zinc/25/09/07/136250907.db2.gz MGJXHKTYYYXTFW-NSHDSACASA-N 0 3 247.310 0.982 20 0 BCADHN CC[C@@H]1OCC[C@H]1NC[C@H]1CN(C)C(=O)O1 ZINC000496102213 529473020 /nfs/dbraw/zinc/47/30/20/529473020.db2.gz RISGVKVNYBZZBP-AEJSXWLSSA-N 0 3 228.292 0.594 20 0 BCADHN CCOC(=O)c1ccc(CN[C@H]2C[C@H](O)C2)[nH]1 ZINC000602718454 349687053 /nfs/dbraw/zinc/68/70/53/349687053.db2.gz ZJCHTUUZBKLRBB-MGCOHNPYSA-N 0 3 238.287 0.804 20 0 BCADHN NC1(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000638696633 352534280 /nfs/dbraw/zinc/53/42/80/352534280.db2.gz VRLLEUIKNLSFNQ-IUCAKERBSA-N 0 3 210.277 0.161 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000334151073 187205933 /nfs/dbraw/zinc/20/59/33/187205933.db2.gz PEKRGFZNEXOHDN-AAEUAGOBSA-N 0 3 240.347 0.558 20 0 BCADHN CCN1CCC[C@H](NC(=O)[C@H](N)CC(C)C)C1 ZINC000040503550 346903561 /nfs/dbraw/zinc/90/35/61/346903561.db2.gz GHTHKXZUQYQZOI-NWDGAFQWSA-N 0 3 241.379 0.960 20 0 BCADHN C[C@H]1CCN(CCc2cn(C)nn2)C[C@@H]1CO ZINC000625581276 344017186 /nfs/dbraw/zinc/01/71/86/344017186.db2.gz MRUJBDKDDWFWJT-WDEREUQCSA-N 0 3 238.335 0.308 20 0 BCADHN C[C@H]1CCN(CCc2cn(C)nn2)C[C@H]1CO ZINC000625581272 344017239 /nfs/dbraw/zinc/01/72/39/344017239.db2.gz MRUJBDKDDWFWJT-QWRGUYRKSA-N 0 3 238.335 0.308 20 0 BCADHN CC(C)[C@H](O)CNC(=O)CN(C)C(C)C ZINC000305196043 187208047 /nfs/dbraw/zinc/20/80/47/187208047.db2.gz WIVNKGLRNCRDFO-SNVBAGLBSA-N 0 3 216.325 0.460 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H](C)[C@@H]1CC1(F)F ZINC000602707403 349700798 /nfs/dbraw/zinc/70/07/98/349700798.db2.gz ACLXWEVXOBGADB-RYPBNFRJSA-N 0 3 249.257 0.950 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H]1CS[C@H](C)C1 ZINC000602708365 349702049 /nfs/dbraw/zinc/70/20/49/349702049.db2.gz DSCYRRNQVDNJPG-DOLQZWNJSA-N 0 3 245.344 0.801 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N(C)[C@@H]2CCOC2)C1 ZINC000167477154 136255309 /nfs/dbraw/zinc/25/53/09/136255309.db2.gz YPXYUERSOCEAGS-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@@H](O)CN1CCN2CCCC[C@@H]2C1 ZINC000086930005 536735650 /nfs/dbraw/zinc/73/56/50/536735650.db2.gz LEGJMSMZHFLCPI-NEPJUHHUSA-N 0 3 228.336 0.164 20 0 BCADHN CC(=O)NCCCN[C@@H](CO)c1ccccc1 ZINC000353544814 187209055 /nfs/dbraw/zinc/20/90/55/187209055.db2.gz KJCOKARNKLKFRI-ZDUSSCGKSA-N 0 3 236.315 0.836 20 0 BCADHN CCc1cc(NCC(=O)NCCOC)ccn1 ZINC000307778496 529553869 /nfs/dbraw/zinc/55/38/69/529553869.db2.gz VZJKVXCMXPNZDT-UHFFFAOYSA-N 0 3 237.303 0.819 20 0 BCADHN CSC[C@@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000353551909 187209636 /nfs/dbraw/zinc/20/96/36/187209636.db2.gz LYEPTMKXEVDVTM-DTWKUNHWSA-N 0 3 233.381 0.987 20 0 BCADHN COC(C)(C)CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000167486187 136258168 /nfs/dbraw/zinc/25/81/68/136258168.db2.gz MTEKNZNCFHRSBY-VHSXEESVSA-N 0 3 228.336 0.916 20 0 BCADHN COC[C@@H](O)CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000180694247 536733462 /nfs/dbraw/zinc/73/34/62/536733462.db2.gz FGBZSJFPLSDJCX-MNOVXSKESA-N 0 3 239.319 0.596 20 0 BCADHN COc1cc(CNCCCO)cc(OC)c1O ZINC000020188527 342975784 /nfs/dbraw/zinc/97/57/84/342975784.db2.gz FKMWUSGOKVIEON-UHFFFAOYSA-N 0 3 241.287 0.881 20 0 BCADHN O=[S@]1C[C@@H]2C[C@H]1CN2CCC[C@@H]1CCO1 ZINC000602713604 349705556 /nfs/dbraw/zinc/70/55/56/349705556.db2.gz WKJLEGSMFPUOMB-DDIVZENXSA-N 0 3 229.345 0.761 20 0 BCADHN COc1ccc(CNCCOCCO)cc1O ZINC000020198521 342976136 /nfs/dbraw/zinc/97/61/36/342976136.db2.gz LLDGMUOSBKRKFS-UHFFFAOYSA-N 0 3 241.287 0.499 20 0 BCADHN CCC[C@](C)(CO)NCc1cnnn1CC ZINC000417942286 488193460 /nfs/dbraw/zinc/19/34/60/488193460.db2.gz SUURYIPSOUNHGY-LLVKDONJSA-N 0 3 226.324 0.939 20 0 BCADHN COCCOC[C@H](O)CNCc1cccnc1 ZINC000234901307 342965658 /nfs/dbraw/zinc/96/56/58/342965658.db2.gz UZMBFZWMLNLWFC-GFCCVEGCSA-N 0 3 240.303 0.195 20 0 BCADHN COCCOC[C@H](O)CNCc1ccoc1 ZINC000234901758 342965696 /nfs/dbraw/zinc/96/56/96/342965696.db2.gz JZDCXVZREIHJBF-LLVKDONJSA-N 0 3 229.276 0.393 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@H](O)C(F)F)N(C)C ZINC000355128829 187211544 /nfs/dbraw/zinc/21/15/44/187211544.db2.gz HZOQHZYPCHOQPV-JGVFFNPUSA-N 0 3 238.278 0.315 20 0 BCADHN CC[C@@H](N)C(=O)N(C)CCc1ccncc1 ZINC000048260382 342967405 /nfs/dbraw/zinc/96/74/05/342967405.db2.gz KZMKOMAUTSRRGR-LLVKDONJSA-N 0 3 221.304 0.820 20 0 BCADHN CCN(C#N)CCN1CCN(CC2CC2)CC1 ZINC000602766057 349721506 /nfs/dbraw/zinc/72/15/06/349721506.db2.gz OPZRTMJJTRNVPM-UHFFFAOYSA-N 0 3 236.363 0.817 20 0 BCADHN CCN(C#N)CCN(CCO)CC1CC1 ZINC000602764981 349721726 /nfs/dbraw/zinc/72/17/26/349721726.db2.gz SCCZFNHGNPCVGB-UHFFFAOYSA-N 0 3 211.309 0.494 20 0 BCADHN Cc1ccc(CN[C@@H]2COC[C@H]2O)cc1 ZINC000037881810 342991230 /nfs/dbraw/zinc/99/12/30/342991230.db2.gz PLLBLZMESDSHOV-VXGBXAGGSA-N 0 3 207.273 0.844 20 0 BCADHN CC[C@@]1(O)CCN(CCN2CCOCC2)C1 ZINC000495245131 529573862 /nfs/dbraw/zinc/57/38/62/529573862.db2.gz ZDZFAVXILSYCDV-GFCCVEGCSA-N 0 3 228.336 0.165 20 0 BCADHN CC[C@@]1(O)CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000495244199 529573907 /nfs/dbraw/zinc/57/39/07/529573907.db2.gz RBASVGJVOFTNGH-HTQZYQBOSA-N 0 3 227.226 0.756 20 0 BCADHN CC(=O)NC[C@H]1CCCN([C@@H]2CCOC2)C1 ZINC000355757514 187212789 /nfs/dbraw/zinc/21/27/89/187212789.db2.gz YMHFFXJWQNHGRI-VXGBXAGGSA-N 0 3 226.320 0.623 20 0 BCADHN COC(=O)c1cc(CNC[C@H]2C[C@@H](O)C2)on1 ZINC000602725498 349715225 /nfs/dbraw/zinc/71/52/25/349715225.db2.gz QMHVKSXTJCQYLR-OCAPTIKFSA-N 0 3 240.259 0.322 20 0 BCADHN CC(C)[C@H](CO)NC(=O)N[C@@H](C)CN(C)C ZINC000358527065 187215854 /nfs/dbraw/zinc/21/58/54/187215854.db2.gz YFAFWFDMHSRSRJ-UWVGGRQHSA-N 0 3 231.340 0.253 20 0 BCADHN CC(C)[C@@](C)(CO)NC(=O)N[C@@H](C)CN(C)C ZINC000359653865 187216507 /nfs/dbraw/zinc/21/65/07/187216507.db2.gz RAYTUBPDDNBWFS-CMPLNLGQSA-N 0 3 245.367 0.643 20 0 BCADHN CCN(C#N)CCN(C)C[C@@H]1CCOC1 ZINC000602778568 349744964 /nfs/dbraw/zinc/74/49/64/349744964.db2.gz MCKMAECUHONBBQ-NSHDSACASA-N 0 3 211.309 0.758 20 0 BCADHN CCN(C#N)CCN1CCCC[C@@H]1CC(N)=O ZINC000602771528 349726088 /nfs/dbraw/zinc/72/60/88/349726088.db2.gz DBYJYJOKLDIECH-LLVKDONJSA-N 0 3 238.335 0.519 20 0 BCADHN CCN(C#N)CCN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000602772192 349726683 /nfs/dbraw/zinc/72/66/83/349726683.db2.gz KZBNGUNDNJDQSQ-QWRGUYRKSA-N 0 3 238.335 0.375 20 0 BCADHN CCN(C#N)CCN(C)C[C@H](C)C(=O)NC ZINC000602776309 349729645 /nfs/dbraw/zinc/72/96/45/349729645.db2.gz DIYPLFMFIHFCCS-JTQLQIEISA-N 0 3 226.324 0.103 20 0 BCADHN CC(=O)NCCCN1CCOCC2(CC2)C1 ZINC000360089709 187217036 /nfs/dbraw/zinc/21/70/36/187217036.db2.gz SKRIKFTVWFSLHX-UHFFFAOYSA-N 0 3 226.320 0.625 20 0 BCADHN CC[C@H](C(=O)NCC(C)(C)OCCO)N(C)C ZINC000494577348 529605579 /nfs/dbraw/zinc/60/55/79/529605579.db2.gz ZNABWMWLCMLQEE-SNVBAGLBSA-N 0 3 246.351 0.230 20 0 BCADHN CNC(=O)CN(C[C@H]1CCOC1)C1CC1 ZINC000046092711 343020911 /nfs/dbraw/zinc/02/09/11/343020911.db2.gz WSJRUWRGAWPGEP-SECBINFHSA-N 0 3 212.293 0.233 20 0 BCADHN CCN(C#N)CCN1CCC[C@H](C(=O)NC)C1 ZINC000602784039 349748029 /nfs/dbraw/zinc/74/80/29/349748029.db2.gz KZSJHTYMDRWXEK-NSHDSACASA-N 0 3 238.335 0.247 20 0 BCADHN COc1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1OC ZINC000050457467 343021898 /nfs/dbraw/zinc/02/18/98/343021898.db2.gz PDDKNQPUKROIQD-BDAKNGLRSA-N 0 3 236.271 0.990 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1cccs1 ZINC000050456633 343021916 /nfs/dbraw/zinc/02/19/16/343021916.db2.gz URORTHXEOAUSRI-DTWKUNHWSA-N 0 3 210.302 0.754 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1ccccc1 ZINC000050456448 343021920 /nfs/dbraw/zinc/02/19/20/343021920.db2.gz NRZCUKXVNJALEL-WDEREUQCSA-N 0 3 204.273 0.693 20 0 BCADHN C[C@H](NC(=O)[C@@H]1C[C@@H]1N)c1ccccn1 ZINC000050458604 343021931 /nfs/dbraw/zinc/02/19/31/343021931.db2.gz AEOKKZILJZBXRH-YIZRAAEISA-N 0 3 205.261 0.606 20 0 BCADHN CCN(C#N)CCN1CCN(C2CCC2)CC1 ZINC000602786124 349750562 /nfs/dbraw/zinc/75/05/62/349750562.db2.gz MMMVHBQICFLOBE-UHFFFAOYSA-N 0 3 236.363 0.959 20 0 BCADHN CC(C)[C@H](O)CN1C[C@H](F)C[C@H]1CO ZINC000367923778 187220523 /nfs/dbraw/zinc/22/05/23/187220523.db2.gz AXVXXWBVJSEZMW-KXUCPTDWSA-N 0 3 205.273 0.408 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)c1nccs1 ZINC000683562249 488195879 /nfs/dbraw/zinc/19/58/79/488195879.db2.gz DJKWJHFNZDGIDY-JTQLQIEISA-N 0 3 243.332 0.186 20 0 BCADHN NC(=O)NC1CCN(CCCCF)CC1 ZINC000351875068 136261263 /nfs/dbraw/zinc/26/12/63/136261263.db2.gz KUKGHILZVCQKHP-UHFFFAOYSA-N 0 3 217.288 0.869 20 0 BCADHN CC(C)COC[C@@H](O)CN1C[C@H](O)C2(CC2)C1 ZINC000368793131 187220969 /nfs/dbraw/zinc/22/09/69/187220969.db2.gz SGHPZBZSQVJEQY-RYUDHWBXSA-N 0 3 243.347 0.477 20 0 BCADHN CC(C)[C@H](O)CN1CCO[C@@]2(CCCOC2)C1 ZINC000368040171 187220988 /nfs/dbraw/zinc/22/09/88/187220988.db2.gz HKBXZBYCWGTTSC-OLZOCXBDSA-N 0 3 243.347 0.885 20 0 BCADHN CC(=O)CCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368972039 187221035 /nfs/dbraw/zinc/22/10/35/187221035.db2.gz FBMLGMFMBJBIPF-HBNTYKKESA-N 0 3 224.304 0.551 20 0 BCADHN CCN(C#N)CCN1CCN(CC)C[C@H]1C ZINC000602834284 349774365 /nfs/dbraw/zinc/77/43/65/349774365.db2.gz YDCOQPBISQUNLE-GFCCVEGCSA-N 0 3 224.352 0.815 20 0 BCADHN CC(C)[C@H](C(=O)N1CCn2nccc21)N(C)C ZINC000367652591 187221625 /nfs/dbraw/zinc/22/16/25/187221625.db2.gz FTNXTZGBMFVQBN-LLVKDONJSA-N 0 3 236.319 0.816 20 0 BCADHN CCN(C#N)CCN1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000602843908 349781413 /nfs/dbraw/zinc/78/14/13/349781413.db2.gz LKZBLRVTCLQTDJ-LLVKDONJSA-N 0 3 248.334 0.705 20 0 BCADHN CCN(C#N)CCN1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000602843908 349781416 /nfs/dbraw/zinc/78/14/16/349781416.db2.gz LKZBLRVTCLQTDJ-LLVKDONJSA-N 0 3 248.334 0.705 20 0 BCADHN CCN(C#N)CCN1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000602843908 349781419 /nfs/dbraw/zinc/78/14/19/349781419.db2.gz LKZBLRVTCLQTDJ-LLVKDONJSA-N 0 3 248.334 0.705 20 0 BCADHN CCN(C#N)CCN[C@H](CO)[C@@H]1CCCOC1 ZINC000602844956 349781638 /nfs/dbraw/zinc/78/16/38/349781638.db2.gz VLNHQQGCISJBAA-VXGBXAGGSA-N 0 3 241.335 0.166 20 0 BCADHN CC(C)COCCN1C[C@H](O)C[C@H]1CO ZINC000370295342 187222665 /nfs/dbraw/zinc/22/26/65/187222665.db2.gz CRGIJKPEQQLMMG-WDEREUQCSA-N 0 3 217.309 0.087 20 0 BCADHN CC(C)[C@@H](O)C(=O)NC[C@H]1CCCN(C)C1 ZINC000562852943 323032146 /nfs/dbraw/zinc/03/21/46/323032146.db2.gz FRHUBALIFBUSDP-GHMZBOCLSA-N 0 3 228.336 0.461 20 0 BCADHN CC(=O)CCN1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000376532150 187225558 /nfs/dbraw/zinc/22/55/58/187225558.db2.gz RMDWSNHQVYRBOG-GFCCVEGCSA-N 0 3 238.331 0.910 20 0 BCADHN C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2)CCO1 ZINC000235716816 343058212 /nfs/dbraw/zinc/05/82/12/343058212.db2.gz WASKCASVUHJIEC-AXFHLTTASA-N 0 3 226.320 0.812 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000576871422 365704282 /nfs/dbraw/zinc/70/42/82/365704282.db2.gz PQVHKQWRXDWEQW-YIZRAAEISA-N 0 3 212.293 0.407 20 0 BCADHN CN(C[C@H](O)CN1CC2(C1)CCCO2)C1CC1 ZINC000634650084 343060507 /nfs/dbraw/zinc/06/05/07/343060507.db2.gz AYCWMZKSEFPDLR-LBPRGKRZSA-N 0 3 240.347 0.306 20 0 BCADHN Cn1nnnc1CN[C@H]1CC2CCC1CC2 ZINC000309849384 343066064 /nfs/dbraw/zinc/06/60/64/343066064.db2.gz WUIWPAMNLBEJET-RTBKNWGFSA-N 0 3 221.308 0.878 20 0 BCADHN CSC[C@@H](O)CN(CC(N)=O)CC(C)C ZINC000187737543 259345550 /nfs/dbraw/zinc/34/55/50/259345550.db2.gz OIKQIXBBCYZNAX-VIFPVBQESA-N 0 3 234.365 0.154 20 0 BCADHN O=C1CCCN1CCCN1CCCC[C@H]1CO ZINC000139799042 343067370 /nfs/dbraw/zinc/06/73/70/343067370.db2.gz VBVVTLFEIIRCOU-LBPRGKRZSA-N 0 3 240.347 0.846 20 0 BCADHN CCN(C#N)CCN[C@H](CO)C1CCC1 ZINC000602885912 349793269 /nfs/dbraw/zinc/79/32/69/349793269.db2.gz ZQIRQIHINWJFHA-LLVKDONJSA-N 0 3 211.309 0.540 20 0 BCADHN CCC[C@@H](C)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000336626888 136264618 /nfs/dbraw/zinc/26/46/18/136264618.db2.gz OBGJNHRFKVMCDT-RKDXNWHRSA-N 0 3 225.292 0.411 20 0 BCADHN NC1(C(=O)NCCOC(F)(F)F)CCC1 ZINC000398141203 343071264 /nfs/dbraw/zinc/07/12/64/343071264.db2.gz VFUWVKXDYOFMSA-UHFFFAOYSA-N 0 3 226.198 0.520 20 0 BCADHN CCc1ccc(CNCCN2CC[C@H](O)C2)o1 ZINC000623837386 343079514 /nfs/dbraw/zinc/07/95/14/343079514.db2.gz BUNQTTDEOCEHQJ-NSHDSACASA-N 0 3 238.331 0.998 20 0 BCADHN Cn1nnc(COc2ccccc2CN)n1 ZINC000236109115 343080245 /nfs/dbraw/zinc/08/02/45/343080245.db2.gz WZPAXJRWFFWMFP-UHFFFAOYSA-N 0 3 219.248 0.248 20 0 BCADHN CC[C@H](O)CN1CCN(C)C(C)(C)C1 ZINC000082484282 362026234 /nfs/dbraw/zinc/02/62/34/362026234.db2.gz XTTBGEPYXRGVSB-JTQLQIEISA-N 0 3 200.326 0.783 20 0 BCADHN COCCN1CCC[C@@H]1CNc1ncccn1 ZINC000067448203 362031504 /nfs/dbraw/zinc/03/15/04/362031504.db2.gz ANEPPWGCLHHPDB-LLVKDONJSA-N 0 3 236.319 0.999 20 0 BCADHN CSC[C@@H](O)CN(C)C[C@H]1CCCO1 ZINC000187748235 259348788 /nfs/dbraw/zinc/34/87/88/259348788.db2.gz DAWLCZLEPVRNTP-VHSXEESVSA-N 0 3 219.350 0.821 20 0 BCADHN CO[C@H]1C[C@@H](CO)N(Cc2ncccc2[O-])C1 ZINC000576865021 365707290 /nfs/dbraw/zinc/70/72/90/365707290.db2.gz WXPHHBSRIFESBJ-UWVGGRQHSA-N 0 3 238.287 0.369 20 0 BCADHN CO[C@H]1C[C@@H](CO)[N@H+](Cc2ncccc2[O-])C1 ZINC000576865021 365707298 /nfs/dbraw/zinc/70/72/98/365707298.db2.gz WXPHHBSRIFESBJ-UWVGGRQHSA-N 0 3 238.287 0.369 20 0 BCADHN CO[C@H]1C[C@@H](CO)[N@@H+](Cc2ncccc2[O-])C1 ZINC000576865021 365707303 /nfs/dbraw/zinc/70/73/03/365707303.db2.gz WXPHHBSRIFESBJ-UWVGGRQHSA-N 0 3 238.287 0.369 20 0 BCADHN NCc1ccccc1C(=O)N1CCOCC1 ZINC000040539264 187231544 /nfs/dbraw/zinc/23/15/44/187231544.db2.gz ZNFAUYVHXXCUDD-UHFFFAOYSA-N 0 3 220.272 0.618 20 0 BCADHN C[S@@](=O)C1(CNC2CSC2)CCC1 ZINC000379366577 343096824 /nfs/dbraw/zinc/09/68/24/343096824.db2.gz RXALRPSLNRTPII-CYBMUJFWSA-N 0 3 219.375 0.993 20 0 BCADHN CN1CCC(C(=O)N2CCO[C@H](CF)C2)CC1 ZINC000622699461 343102197 /nfs/dbraw/zinc/10/21/97/343102197.db2.gz KXIRBSGPVAVRGA-LLVKDONJSA-N 0 3 244.310 0.525 20 0 BCADHN Cc1cc(C(=O)NC[C@@H](C)N(C)C)no1 ZINC000046274234 343106040 /nfs/dbraw/zinc/10/60/40/343106040.db2.gz XMVCRPKFCAWZAI-SSDOTTSWSA-N 0 3 211.265 0.663 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCCO1)N(C)C ZINC000046274622 343106827 /nfs/dbraw/zinc/10/68/27/343106827.db2.gz URKIBTQYUCFROH-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@@H](N)C(=O)N(C)CC1CCOCC1 ZINC000082545455 362057151 /nfs/dbraw/zinc/05/71/51/362057151.db2.gz HQTDKEAWVHAVBE-SNVBAGLBSA-N 0 3 214.309 0.609 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCSC[C@H]1CO ZINC000343709489 187232440 /nfs/dbraw/zinc/23/24/40/187232440.db2.gz KWSYJSFIALPYMX-NXEZZACHSA-N 0 3 233.377 0.803 20 0 BCADHN CCN(C#N)CCN1C[C@H](C)C(O)[C@@H](C)C1 ZINC000602890426 349795240 /nfs/dbraw/zinc/79/52/40/349795240.db2.gz ZEEKRCGBKGNAFA-QWRGUYRKSA-N 0 3 225.336 0.738 20 0 BCADHN CCN(C#N)CCN1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000602890424 349795349 /nfs/dbraw/zinc/79/53/49/349795349.db2.gz ZEEKRCGBKGNAFA-GDNZZTSVSA-N 0 3 225.336 0.738 20 0 BCADHN CN(C)C(=O)C(C)(C)NCCOCC1CC1 ZINC000119784639 343095146 /nfs/dbraw/zinc/09/51/46/343095146.db2.gz GYWZIEQWABYVSS-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](C(=O)N(C)C)n1cc(CCN(C)C)nn1 ZINC000640876853 362067807 /nfs/dbraw/zinc/06/78/07/362067807.db2.gz RPZPOFSSOVFYEC-VIFPVBQESA-N 0 3 239.323 0.031 20 0 BCADHN CN(C)CCc1cn(C[C@H]2CCCOC2)nn1 ZINC000640959146 362099074 /nfs/dbraw/zinc/09/90/74/362099074.db2.gz CKXMBJCIXCYCOB-LLVKDONJSA-N 0 3 238.335 0.809 20 0 BCADHN O[C@@H](CNCCn1ccnc1)C(F)(F)F ZINC000082680916 362100192 /nfs/dbraw/zinc/10/01/92/362100192.db2.gz BWRZMQWFPRARAO-ZETCQYMHSA-N 0 3 223.198 0.396 20 0 BCADHN CN(CCNC[C@H](O)C(F)(F)F)C1CC1 ZINC000082681158 362100316 /nfs/dbraw/zinc/10/03/16/362100316.db2.gz LFFGOKRQBFJJKD-QMMMGPOBSA-N 0 3 226.242 0.593 20 0 BCADHN CC[C@H](C)N(C)CC(=O)NCCCOC ZINC000172693660 529687009 /nfs/dbraw/zinc/68/70/09/529687009.db2.gz LEBRPVLRWCGGSH-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN CC(C)OC(=O)[C@@H](C)CNC(=O)CNC1CC1 ZINC000236778952 343111305 /nfs/dbraw/zinc/11/13/05/343111305.db2.gz XCNNQZRCFSUCDX-VIFPVBQESA-N 0 3 242.319 0.442 20 0 BCADHN CC[C@H](C)Cn1cc(C[C@@H](N)COC)nn1 ZINC000640939845 362079436 /nfs/dbraw/zinc/07/94/36/362079436.db2.gz FSQUMZTVPOFDIM-VHSXEESVSA-N 0 3 226.324 0.840 20 0 BCADHN CN(C)CCc1cn(CCCF)nn1 ZINC000640937204 362080044 /nfs/dbraw/zinc/08/00/44/362080044.db2.gz ABCMXCMDZWIKNL-UHFFFAOYSA-N 0 3 200.261 0.742 20 0 BCADHN Cc1cnn(CC(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000067862944 362084101 /nfs/dbraw/zinc/08/41/01/362084101.db2.gz DNQUCRDADGDOKX-NSHDSACASA-N 0 3 248.330 0.544 20 0 BCADHN CO[C@H](C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000168728321 136269909 /nfs/dbraw/zinc/26/99/09/136269909.db2.gz XWOALXVAXNPWCK-OPRDCNLKSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@@H](O)[C@H]1CCCN(CCc2cn(C)nn2)C1 ZINC000625263676 343145781 /nfs/dbraw/zinc/14/57/81/343145781.db2.gz SIXJOVNUYSRDQH-MNOVXSKESA-N 0 3 238.335 0.450 20 0 BCADHN CSCCN1CCN(Cc2nnc[nH]2)CC1 ZINC000602868365 349799108 /nfs/dbraw/zinc/79/91/08/349799108.db2.gz XIXNUJILQIBQEX-UHFFFAOYSA-N 0 3 241.364 0.285 20 0 BCADHN Cc1n[nH]cc1CCCNC(=O)[C@H](C)N ZINC000050183101 343136403 /nfs/dbraw/zinc/13/64/03/343136403.db2.gz LJVRYRAKAPLGQI-ZETCQYMHSA-N 0 3 210.281 0.114 20 0 BCADHN CCc1nocc1CNCCN1CC[C@H](O)C1 ZINC000623838215 343137591 /nfs/dbraw/zinc/13/75/91/343137591.db2.gz KXODIYGQJUQOEA-NSHDSACASA-N 0 3 239.319 0.393 20 0 BCADHN COc1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1[O-] ZINC000050228521 343138234 /nfs/dbraw/zinc/13/82/34/343138234.db2.gz ZQLDRCAZFHZMJY-MRVPVSSYSA-N 0 3 236.271 0.574 20 0 BCADHN Cc1cc(C[C@@H](C)NC(=O)CNC2CC2)[nH]n1 ZINC000237479185 343144213 /nfs/dbraw/zinc/14/42/13/343144213.db2.gz WMZIARJLRHQAGY-MRVPVSSYSA-N 0 3 236.319 0.517 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCC(CS(N)(=O)=O)CC1 ZINC000625271296 343178969 /nfs/dbraw/zinc/17/89/69/343178969.db2.gz WBNIKMWXZIVPSA-MWLCHTKSSA-N 0 3 246.376 0.643 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)Nc2nc(C)ns2)C1 ZINC000131787533 343180816 /nfs/dbraw/zinc/18/08/16/343180816.db2.gz 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0.825 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638696810 352535225 /nfs/dbraw/zinc/53/52/25/352535225.db2.gz FBGCDCYKPVXCBZ-SBMIAAHKSA-N 0 3 241.335 0.226 20 0 BCADHN NC(=O)NC(=O)CN[C@H](c1ccccc1)C1CC1 ZINC000192509897 365732471 /nfs/dbraw/zinc/73/24/71/365732471.db2.gz DPLQLDOXJZLPEP-GFCCVEGCSA-N 0 3 247.298 0.922 20 0 BCADHN CO[C@H]1C[C@@H](N(C)CCN2CCNC2=O)C1 ZINC000576977497 365740055 /nfs/dbraw/zinc/74/00/55/365740055.db2.gz IBNFFXNHBQBXDS-AOOOYVTPSA-N 0 3 227.308 0.121 20 0 BCADHN Cc1nnc(NC(=O)CNC2CC2)s1 ZINC000135894316 343196929 /nfs/dbraw/zinc/19/69/29/343196929.db2.gz HWIUBESRZDLHQW-UHFFFAOYSA-N 0 3 212.278 0.537 20 0 BCADHN CC[C@@H](N)C(=O)NCC1CCSCC1 ZINC000157564865 343199676 /nfs/dbraw/zinc/19/96/76/343199676.db2.gz HPHWXWALUAHILS-SECBINFHSA-N 0 3 216.350 0.983 20 0 BCADHN CN1CCN(C(=O)c2ccccc2)[C@H](CN)C1 ZINC000158238842 343200757 /nfs/dbraw/zinc/20/07/57/343200757.db2.gz MFBXDYROTPPGAR-GFCCVEGCSA-N 0 3 233.315 0.402 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@@H](CO)C1 ZINC000016338001 136275036 /nfs/dbraw/zinc/27/50/36/136275036.db2.gz LQEIURVJDLYTGU-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](NC(=O)NCCN(C)C)C(F)F ZINC000641010948 362125359 /nfs/dbraw/zinc/12/53/59/362125359.db2.gz AJMVMBVZKKBBFI-ZCFIWIBFSA-N 0 3 209.240 0.501 20 0 BCADHN C[C@H](O)[C@H](C)NCC(=O)N1CCCCC1 ZINC000161603954 343204947 /nfs/dbraw/zinc/20/49/47/343204947.db2.gz WWTSUXWVRLGUDU-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN NC1(C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000237918677 343219907 /nfs/dbraw/zinc/21/99/07/343219907.db2.gz WHXOGKIJSHSKKY-UHFFFAOYSA-N 0 3 248.282 0.565 20 0 BCADHN CCN(CC)S(=O)(=O)N1CCNC(C)(C)C1 ZINC000133188038 343189672 /nfs/dbraw/zinc/18/96/72/343189672.db2.gz NLSSOPALCHZRSF-UHFFFAOYSA-N 0 3 249.380 0.257 20 0 BCADHN CN(CCc1cn(C)nn1)CCc1ccccn1 ZINC000625272505 343190945 /nfs/dbraw/zinc/19/09/45/343190945.db2.gz XPCAGYFBRRNZKL-UHFFFAOYSA-N 0 3 245.330 0.927 20 0 BCADHN O=C(CCc1ccncc1)NC[C@H]1CNCCO1 ZINC000134254714 343193932 /nfs/dbraw/zinc/19/39/32/343193932.db2.gz MMUZUCGOERNJQY-GFCCVEGCSA-N 0 3 249.314 0.119 20 0 BCADHN Cc1cncc(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000134254544 343193982 /nfs/dbraw/zinc/19/39/82/343193982.db2.gz COQHYVHCRPQPGP-NSHDSACASA-N 0 3 235.287 0.108 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CCOC1CCOCC1 ZINC000625272625 343195048 /nfs/dbraw/zinc/19/50/48/343195048.db2.gz GOVBLWKFZBASGV-GHMZBOCLSA-N 0 3 229.320 0.637 20 0 BCADHN O=C(NCCc1cccnc1)[C@]1(F)CCNC1 ZINC000366335836 136280688 /nfs/dbraw/zinc/28/06/88/136280688.db2.gz XEXUUVHFPFGROY-LBPRGKRZSA-N 0 3 237.278 0.442 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)CNC1CC1 ZINC000310039192 343226957 /nfs/dbraw/zinc/22/69/57/343226957.db2.gz WTZTWIZVBDJUJN-PSASIEDQSA-N 0 3 214.309 0.262 20 0 BCADHN CN(C[C@@H]1CCCCO1)C[C@@H]1CNCCO1 ZINC000043802666 488209070 /nfs/dbraw/zinc/20/90/70/488209070.db2.gz FSKFQXVLMVMAEA-RYUDHWBXSA-N 0 3 228.336 0.476 20 0 BCADHN CC[C@H](O)CN1CCC[C@H](OC(=O)N(C)C)C1 ZINC000496407085 529697316 /nfs/dbraw/zinc/69/73/16/529697316.db2.gz RNSVHQULYYSMGO-QWRGUYRKSA-N 0 3 244.335 0.920 20 0 BCADHN CCN1CCN(C[C@H](O)C(C)C)CC1 ZINC000087537598 136281894 /nfs/dbraw/zinc/28/18/94/136281894.db2.gz HJMAZSNGPULBDW-NSHDSACASA-N 0 3 200.326 0.641 20 0 BCADHN Cn1cc(CCN2CCC[C@]2(C)CO)nn1 ZINC000625323918 343232413 /nfs/dbraw/zinc/23/24/13/343232413.db2.gz JUIVJKFQOWMEGQ-LLVKDONJSA-N 0 3 224.308 0.204 20 0 BCADHN Cn1cc(CCN2CCC(C)(CO)CC2)nn1 ZINC000625326307 343233505 /nfs/dbraw/zinc/23/35/05/343233505.db2.gz QUFSFVXBPVHNJG-UHFFFAOYSA-N 0 3 238.335 0.452 20 0 BCADHN CCNC(=O)NC(=O)CN1CCC[C@H](CC)C1 ZINC000030142546 136278227 /nfs/dbraw/zinc/27/82/27/136278227.db2.gz YMRKVXBMBYYNRY-JTQLQIEISA-N 0 3 241.335 0.954 20 0 BCADHN C[C@H]1CC[C@H](CN2CC[C@@H](F)[C@H](N)C2)O1 ZINC000634688506 343248158 /nfs/dbraw/zinc/24/81/58/343248158.db2.gz UYZJLMXDHRAYQW-LNFKQOIKSA-N 0 3 216.300 0.925 20 0 BCADHN Cn1cc(CCN2CC[C@@H](O)C(C)(C)C2)nn1 ZINC000625360286 343248721 /nfs/dbraw/zinc/24/87/21/343248721.db2.gz CAAMBFDAORLSKS-LLVKDONJSA-N 0 3 238.335 0.450 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@@]1(C)CCCCN1 ZINC000163696624 136279913 /nfs/dbraw/zinc/27/99/13/136279913.db2.gz MQGSTIPDJNXLOT-CMPLNLGQSA-N 0 3 228.336 0.796 20 0 BCADHN CCOCCN(CC)C[C@H](O)COC ZINC000068891341 343251886 /nfs/dbraw/zinc/25/18/86/343251886.db2.gz YIQMPOWJUNVZKV-JTQLQIEISA-N 0 3 205.298 0.352 20 0 BCADHN O=S1(=O)CCC[C@@H](NC[C@H]2CCCO2)C1 ZINC000068939468 343253395 /nfs/dbraw/zinc/25/33/95/343253395.db2.gz CYLZKMLJXCMPFM-NXEZZACHSA-N 0 3 233.333 0.332 20 0 BCADHN COC[C@H](C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000068939338 343253430 /nfs/dbraw/zinc/25/34/30/343253430.db2.gz FRAYWSKKRYCJJS-DTWKUNHWSA-N 0 3 221.322 0.188 20 0 BCADHN CCOC[C@H](C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000068940239 343253548 /nfs/dbraw/zinc/25/35/48/343253548.db2.gz NFRRIHKWHNUDHP-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@H]1CCN(Cc2cnn(C)c2)C[C@H]1CO ZINC000621366628 343282820 /nfs/dbraw/zinc/28/28/20/343282820.db2.gz OFQJZBHAKWUUKR-JQWIXIFHSA-N 0 3 223.320 0.870 20 0 BCADHN C[C@H](NC(=O)CN)c1ccc2c(c1)OCCO2 ZINC000035018134 343283049 /nfs/dbraw/zinc/28/30/49/343283049.db2.gz CITJYPFTGHJEJD-QMMMGPOBSA-N 0 3 236.271 0.594 20 0 BCADHN C[C@H]1CCN(CCN2CCOCC2)C[C@H]1CO ZINC000621367213 343283738 /nfs/dbraw/zinc/28/37/38/343283738.db2.gz XDZVYMZVBLAVSL-STQMWFEESA-N 0 3 242.363 0.269 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2cc[nH]n2)nn1 ZINC000641048788 362159125 /nfs/dbraw/zinc/15/91/25/362159125.db2.gz DCMIWZXGFLIRBO-SNVBAGLBSA-N 0 3 220.280 0.633 20 0 BCADHN C[C@H](C(=O)NCc1ccccc1)N1CCNCC1 ZINC000019976985 343262515 /nfs/dbraw/zinc/26/25/15/343262515.db2.gz INYHHRPJSAPXSN-GFCCVEGCSA-N 0 3 247.342 0.597 20 0 BCADHN CN(C)CCN(C)Cc1cnn2c1CCC2 ZINC000668156074 488210607 /nfs/dbraw/zinc/21/06/07/488210607.db2.gz HNHYABQMPLYZTE-UHFFFAOYSA-N 0 3 222.336 0.823 20 0 BCADHN c1n[nH]nc1Cn1cc(CN2CCCC2)nn1 ZINC000641056778 362166525 /nfs/dbraw/zinc/16/65/25/362166525.db2.gz QJGPZJDOQPIUET-UHFFFAOYSA-N 0 3 233.279 0.040 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@H](O)c1ccccc1 ZINC000036873224 343325651 /nfs/dbraw/zinc/32/56/51/343325651.db2.gz HLBFYAVOMIOISU-RYUDHWBXSA-N 0 3 236.315 0.964 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000037018817 343330979 /nfs/dbraw/zinc/33/09/79/343330979.db2.gz GOUBRWAIAXIWJD-ZETCQYMHSA-N 0 3 246.274 0.163 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000037018950 343331362 /nfs/dbraw/zinc/33/13/62/343331362.db2.gz SQTXHLZKEOTJJI-MRVPVSSYSA-N 0 3 247.298 0.865 20 0 BCADHN C([C@@H]1CCCOC1)N1CCN2CCOC[C@@H]2C1 ZINC000348771932 136298018 /nfs/dbraw/zinc/29/80/18/136298018.db2.gz IDCRUOAGQFPZKL-STQMWFEESA-N 0 3 240.347 0.429 20 0 BCADHN C([C@H]1CCCOC1)N1CCN2CCOC[C@H]2C1 ZINC000348771925 136298088 /nfs/dbraw/zinc/29/80/88/136298088.db2.gz IDCRUOAGQFPZKL-CHWSQXEVSA-N 0 3 240.347 0.429 20 0 BCADHN CCS(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000060244311 343295293 /nfs/dbraw/zinc/29/52/93/343295293.db2.gz AIQAQBOTIOMXTP-LLVKDONJSA-N 0 3 246.376 0.896 20 0 BCADHN CC[C@H]1CN(C)CCCN1C(=O)c1nc[nH]n1 ZINC000234061753 343298017 /nfs/dbraw/zinc/29/80/17/343298017.db2.gz JPSHHZLOFLXCHO-VIFPVBQESA-N 0 3 237.307 0.361 20 0 BCADHN CCN1C[C@@H](C)N(Cc2nncn2C)[C@H](C)C1 ZINC000584038945 343298062 /nfs/dbraw/zinc/29/80/62/343298062.db2.gz FOCJJIVVZMAXPP-GHMZBOCLSA-N 0 3 237.351 0.730 20 0 BCADHN C[C@@H](CO)NC(=O)c1ccc(CN(C)C)cc1 ZINC000035608981 343300562 /nfs/dbraw/zinc/30/05/62/343300562.db2.gz PPJMUMIBZNNLAA-JTQLQIEISA-N 0 3 236.315 0.859 20 0 BCADHN COCCCCCN[C@@]1(C(N)=O)CCOC1 ZINC000584061703 343310825 /nfs/dbraw/zinc/31/08/25/343310825.db2.gz SKVUXDRLMATUDK-NSHDSACASA-N 0 3 230.308 0.037 20 0 BCADHN COC(=O)[C@]1(C)CCN(C(=O)CNC(C)C)C1 ZINC000584064976 343312697 /nfs/dbraw/zinc/31/26/97/343312697.db2.gz SVSVCBQRWIYWRB-GFCCVEGCSA-N 0 3 242.319 0.396 20 0 BCADHN CCCS(=O)(=O)NCCN(CC)CC ZINC000070223632 343314559 /nfs/dbraw/zinc/31/45/59/343314559.db2.gz BARUKZBMWJSOMF-UHFFFAOYSA-N 0 3 222.354 0.658 20 0 BCADHN O=C(c1cn[nH]c1)N1CCN2CCC[C@H]2C1 ZINC000037841488 343357515 /nfs/dbraw/zinc/35/75/15/343357515.db2.gz GWQOWIBNICLKHT-JTQLQIEISA-N 0 3 220.276 0.330 20 0 BCADHN CN(C)Cc1ccc(C(=O)N(C)CCO)cc1 ZINC000037898484 343360061 /nfs/dbraw/zinc/36/00/61/343360061.db2.gz UJOZJUDCTXFXLP-UHFFFAOYSA-N 0 3 236.315 0.813 20 0 BCADHN Cc1c(CN2CC[C@@H]([C@H](C)O)C2)cnn1C ZINC000272637445 187337409 /nfs/dbraw/zinc/33/74/09/187337409.db2.gz WYRQGMHMYQUCHK-WDEREUQCSA-N 0 3 223.320 0.931 20 0 BCADHN CC[C@H](C)CNC(=O)N1CCOC2(CNC2)C1 ZINC000335627367 136299718 /nfs/dbraw/zinc/29/97/18/136299718.db2.gz QGBFYXMULPVWRY-JTQLQIEISA-N 0 3 241.335 0.416 20 0 BCADHN C[C@H](CNC(=O)c1ccccc1N)N(C)C ZINC000038089375 343370272 /nfs/dbraw/zinc/37/02/72/343370272.db2.gz MXIKGIDARYZPNA-SECBINFHSA-N 0 3 221.304 0.949 20 0 BCADHN Cn1cc(CCN2CCN(C)C(C)(C)C2)nn1 ZINC000625389310 343370969 /nfs/dbraw/zinc/37/09/69/343370969.db2.gz BCMVFALHZCNYQL-UHFFFAOYSA-N 0 3 237.351 0.384 20 0 BCADHN CC(C)CNC(=O)NC(=O)CN(C)CC1CC1 ZINC000048580010 343372426 /nfs/dbraw/zinc/37/24/26/343372426.db2.gz YHWAFNGBBGAVEP-UHFFFAOYSA-N 0 3 241.335 0.810 20 0 BCADHN CCc1cnc(CNC[C@@H]2CNCCO2)s1 ZINC000234224178 343373686 /nfs/dbraw/zinc/37/36/86/343373686.db2.gz YAWNGTPZTLCJKB-VIFPVBQESA-N 0 3 241.360 0.784 20 0 BCADHN CO[C@H]1CCN(CCc2cn(C)nn2)[C@H](C)C1 ZINC000625393699 343375874 /nfs/dbraw/zinc/37/58/74/343375874.db2.gz MQSOMHWZCGTHNG-PWSUYJOCSA-N 0 3 238.335 0.857 20 0 BCADHN CC[C@@H](COC)N[C@H](C)C(=O)NC(C)C ZINC000070625538 343335949 /nfs/dbraw/zinc/33/59/49/343335949.db2.gz NGBGOPVLUVQPDT-ZJUUUORDSA-N 0 3 216.325 0.914 20 0 BCADHN CC[C@@H](COC)NCC(=O)NC1CC1 ZINC000070623877 343335996 /nfs/dbraw/zinc/33/59/96/343335996.db2.gz XYAIKEXBUFTSPP-QMMMGPOBSA-N 0 3 200.282 0.280 20 0 BCADHN CCC[C@H](N)C(=O)NCc1nccn1C ZINC000070854938 343338820 /nfs/dbraw/zinc/33/88/20/343338820.db2.gz WYEUWCWXOMIFOB-QMMMGPOBSA-N 0 3 210.281 0.164 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@@H]1CCCOC1 ZINC000071023660 343342485 /nfs/dbraw/zinc/34/24/85/343342485.db2.gz PHJIPUSGUJDXFF-NXEZZACHSA-N 0 3 214.309 0.655 20 0 BCADHN [O-]c1cc(F)cc(CN[C@H]2CC[NH2+]C2)c1 ZINC000335644401 136303802 /nfs/dbraw/zinc/30/38/02/136303802.db2.gz UZTONSFCTZBGSD-JTQLQIEISA-N 0 3 210.252 0.983 20 0 BCADHN CCNC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000335648337 136304203 /nfs/dbraw/zinc/30/42/03/136304203.db2.gz HNALWOAZKOKARW-SFYZADRCSA-N 0 3 215.297 0.419 20 0 BCADHN N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCOC1 ZINC000037739124 343353691 /nfs/dbraw/zinc/35/36/91/343353691.db2.gz ZTWIJWYCLDHDST-STQMWFEESA-N 0 3 248.326 0.709 20 0 BCADHN CN1CC[C@@H](C(=O)N2CCC(=O)CC2)C1 ZINC000335672811 136317042 /nfs/dbraw/zinc/31/70/42/136317042.db2.gz UWMMAQJVTMLLBZ-SECBINFHSA-N 0 3 210.277 0.130 20 0 BCADHN CC(C)(CO)NCc1cccc(C(N)=O)c1 ZINC000035603984 187257931 /nfs/dbraw/zinc/25/79/31/187257931.db2.gz NHMGPGAUQOIZEK-UHFFFAOYSA-N 0 3 222.288 0.646 20 0 BCADHN Cc1ocnc1C(=O)N[C@@H]1CNCCC1(F)F ZINC000335653538 136305497 /nfs/dbraw/zinc/30/54/97/136305497.db2.gz LASLPPZJCPBHMY-SSDOTTSWSA-N 0 3 245.229 0.710 20 0 BCADHN CNCC(=O)N1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000335658030 136306885 /nfs/dbraw/zinc/30/68/85/136306885.db2.gz SSAIMIMMJAOANS-HTQZYQBOSA-N 0 3 213.281 0.368 20 0 BCADHN CCN1[C@H](C)CN(CC(=O)OC)C[C@@H]1C ZINC000602874596 349806293 /nfs/dbraw/zinc/80/62/93/349806293.db2.gz RKQUURDHKNULSU-AOOOYVTPSA-N 0 3 214.309 0.574 20 0 BCADHN COC(=O)CCCN(C)CCNC(=O)N(C)C ZINC000348919582 136307923 /nfs/dbraw/zinc/30/79/23/136307923.db2.gz NRAUHCBPAMMYSW-UHFFFAOYSA-N 0 3 245.323 0.143 20 0 BCADHN CCN(C)CCNC(=O)C1=CCOCC1 ZINC000348914749 136307953 /nfs/dbraw/zinc/30/79/53/136307953.db2.gz VLRJNJUZVHCFPR-UHFFFAOYSA-N 0 3 212.293 0.401 20 0 BCADHN C[C@@H](CNC(=O)C1=CCOCC1)N(C)C1CC1 ZINC000348883389 136308382 /nfs/dbraw/zinc/30/83/82/136308382.db2.gz BTYMYQSGTXQXNU-JTQLQIEISA-N 0 3 238.331 0.932 20 0 BCADHN CC(C)CN(CCN(C)C)Cc1cnnn1C ZINC000348934769 136309433 /nfs/dbraw/zinc/30/94/33/136309433.db2.gz NRBHSYFQPQNHMJ-UHFFFAOYSA-N 0 3 239.367 0.835 20 0 BCADHN CSCCN(C)CCNC(=O)N(C)C ZINC000348950421 136310059 /nfs/dbraw/zinc/31/00/59/136310059.db2.gz QBRDZFJKRLTXDI-UHFFFAOYSA-N 0 3 219.354 0.552 20 0 BCADHN CCC(O)(CC)CN(C)[C@H]1CCNC1=O ZINC000348946363 136310163 /nfs/dbraw/zinc/31/01/63/136310163.db2.gz FITDFTKFSURPID-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN CC1(CNC(=O)CCOC2CNC2)CCC1 ZINC000348955300 136310619 /nfs/dbraw/zinc/31/06/19/136310619.db2.gz JHBPCNGZWVFODT-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN CCOCCO[C@@H]1CCN(C[C@H](O)COC)C1 ZINC000348960598 136310898 /nfs/dbraw/zinc/31/08/98/136310898.db2.gz YQBGETPWXHJEDI-NWDGAFQWSA-N 0 3 247.335 0.121 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1C(=O)CCOC1CNC1 ZINC000348992696 136314056 /nfs/dbraw/zinc/31/40/56/136314056.db2.gz PMJWXDPMENBWND-NXEZZACHSA-N 0 3 226.320 0.764 20 0 BCADHN Cc1c(NC(=O)CCOC2CNC2)cnn1C ZINC000348991287 136314338 /nfs/dbraw/zinc/31/43/38/136314338.db2.gz NIMRWJYNFUTCKP-UHFFFAOYSA-N 0 3 238.291 0.046 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCCOCC1 ZINC000335661576 136314971 /nfs/dbraw/zinc/31/49/71/136314971.db2.gz DMRCXFDTIJVUOC-SECBINFHSA-N 0 3 212.293 0.376 20 0 BCADHN O=C(NCC1C[NH2+]C1)c1ccccc1[O-] ZINC000335661941 136315651 /nfs/dbraw/zinc/31/56/51/136315651.db2.gz XBPQHGJEKCRQRX-UHFFFAOYSA-N 0 3 206.245 0.341 20 0 BCADHN C[C@@H]1CO[C@@H](C)CN1C(=O)CCOC1CNC1 ZINC000349006933 136316497 /nfs/dbraw/zinc/31/64/97/136316497.db2.gz UKPSXRXMIZUQHO-ZJUUUORDSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@@H]1CCC[C@H]1NC(=O)CCOC1CNC1 ZINC000349063616 136321324 /nfs/dbraw/zinc/32/13/24/136321324.db2.gz YSCNOADSIIEZGM-MWLCHTKSSA-N 0 3 226.320 0.670 20 0 BCADHN CC[C@H](Cn1cc(C[C@@H](N)COC)nn1)OC ZINC000641079861 362194291 /nfs/dbraw/zinc/19/42/91/362194291.db2.gz GNIZPRLHFPIVTC-MWLCHTKSSA-N 0 3 242.323 0.219 20 0 BCADHN CC(C)OC(=O)CCN1C[C@H](O)C[C@@]1(C)CO ZINC000602909294 349807062 /nfs/dbraw/zinc/80/70/62/349807062.db2.gz SMJVPGFEHDFBBK-PWSUYJOCSA-N 0 3 245.319 0.146 20 0 BCADHN CC(=O)N[C@H]1CCCN(CCC(C)(C)O)C1 ZINC000081666202 343422711 /nfs/dbraw/zinc/42/27/11/343422711.db2.gz PXULUXDGKIPJBN-NSHDSACASA-N 0 3 228.336 0.748 20 0 BCADHN COC(=O)[C@]1(C)CN(CC(=O)N(C)C)C[C@H]1C ZINC000367077101 136326139 /nfs/dbraw/zinc/32/61/39/136326139.db2.gz GPXYDMHUJYXIDB-BXKDBHETSA-N 0 3 242.319 0.206 20 0 BCADHN CCCN1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC000619904773 343407375 /nfs/dbraw/zinc/40/73/75/343407375.db2.gz QNZPIQSRSLGUMK-VIFPVBQESA-N 0 3 237.307 0.029 20 0 BCADHN C[C@@H](N)C(=O)NCc1cccc2c1OCO2 ZINC000040667801 343407902 /nfs/dbraw/zinc/40/79/02/343407902.db2.gz YMLRUKVDKQOBBC-SSDOTTSWSA-N 0 3 222.244 0.379 20 0 BCADHN CCO[C@H](CN(C)CCOCCO)C1CC1 ZINC000625400506 343410671 /nfs/dbraw/zinc/41/06/71/343410671.db2.gz MBNAYFCMZCZMRN-GFCCVEGCSA-N 0 3 231.336 0.742 20 0 BCADHN COC[C@H](N)Cc1cn(CC2CC=CC2)nn1 ZINC000641078681 362190135 /nfs/dbraw/zinc/19/01/35/362190135.db2.gz GZIFRFMAUNCVJO-LLVKDONJSA-N 0 3 236.319 0.761 20 0 BCADHN O=C(CCc1cccnc1)N1CCCNCC1 ZINC000041261117 343417826 /nfs/dbraw/zinc/41/78/26/343417826.db2.gz GCBVITIEBFFVGR-UHFFFAOYSA-N 0 3 233.315 0.836 20 0 BCADHN CCOCC(=O)N1CCC[C@@H]1CN(C)C ZINC000081565895 343418788 /nfs/dbraw/zinc/41/87/88/343418788.db2.gz DHYJVTUUHNEPAB-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN C[C@H](O)CNCc1cc(=O)n2ccccc2n1 ZINC000048694396 343419446 /nfs/dbraw/zinc/41/94/46/343419446.db2.gz LQLQIYSGBWULOB-VIFPVBQESA-N 0 3 233.271 0.165 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N[C@H]1CCSC1 ZINC000335678923 136319476 /nfs/dbraw/zinc/31/94/76/136319476.db2.gz OGZITNINHMFOJZ-UWVGGRQHSA-N 0 3 243.376 0.885 20 0 BCADHN CCN1CCCN(CC2(O)CCC2)CC1=O ZINC000335679641 136320084 /nfs/dbraw/zinc/32/00/84/136320084.db2.gz KSNUQVFRWIKBBY-UHFFFAOYSA-N 0 3 226.320 0.456 20 0 BCADHN CC(C)(CC(N)=O)NCc1ccc(F)cn1 ZINC000276177834 187339276 /nfs/dbraw/zinc/33/92/76/187339276.db2.gz GFWSYDRFCYSTEV-UHFFFAOYSA-N 0 3 225.267 0.964 20 0 BCADHN CC[C@H](N)c1cn([C@@H]2CCN(CC)C2=O)nn1 ZINC000641084211 362206487 /nfs/dbraw/zinc/20/64/87/362206487.db2.gz IBLNJZJUTWIHJZ-WCBMZHEXSA-N 0 3 237.307 0.481 20 0 BCADHN Cn1ccc(CC(=O)N2CCNC(C)(C)C2)n1 ZINC000335728180 136347651 /nfs/dbraw/zinc/34/76/51/136347651.db2.gz JKFISKDABWBNDT-UHFFFAOYSA-N 0 3 236.319 0.173 20 0 BCADHN COC[C@H](N)Cc1cn(CC2(C)CCC2)nn1 ZINC000641087529 362210866 /nfs/dbraw/zinc/21/08/66/362210866.db2.gz IDWBVVFMKLPBEF-SNVBAGLBSA-N 0 3 238.335 0.985 20 0 BCADHN CC(C)[C@H](O)C(=O)NCCN1CCCC1 ZINC000349518957 136352255 /nfs/dbraw/zinc/35/22/55/136352255.db2.gz DYEFGJPGIHWEPL-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN O=C1NCC[C@@H]1N[C@H]1Cc2cccc(O)c2C1 ZINC000335685220 136329848 /nfs/dbraw/zinc/32/98/48/136329848.db2.gz CSXLUSYAOXMTCI-ONGXEEELSA-N 0 3 232.283 0.338 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)NC1(CCO)CC1 ZINC000349282802 136335278 /nfs/dbraw/zinc/33/52/78/136335278.db2.gz GGOHYQYJIFNYOT-QWRGUYRKSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@H]1CCN(C)CCN1Cc1cnn(C)c1 ZINC000335706138 136336081 /nfs/dbraw/zinc/33/60/81/136336081.db2.gz WKXGJYIVJARBDB-NSHDSACASA-N 0 3 222.336 0.946 20 0 BCADHN CC[C@H](O)[C@H](CC)NC(=O)/C=C\CN(C)C ZINC000493370912 529710177 /nfs/dbraw/zinc/71/01/77/529710177.db2.gz QEYOAKZNBFBONG-ZXXKLBARSA-N 0 3 228.336 0.770 20 0 BCADHN CC(C)C[C@@H](CO)N[C@H](C)CS(C)(=O)=O ZINC000081900832 343433988 /nfs/dbraw/zinc/43/39/88/343433988.db2.gz KDADDCLOIVZEGT-ZJUUUORDSA-N 0 3 237.365 0.416 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCCCCO ZINC000081903000 343434059 /nfs/dbraw/zinc/43/40/59/343434059.db2.gz LLIMMMKTSGBYJQ-SECBINFHSA-N 0 3 223.338 0.172 20 0 BCADHN CC[C@H](Cn1cc(CCN(C)C)nn1)OC ZINC000641081272 362198594 /nfs/dbraw/zinc/19/85/94/362198594.db2.gz OKYGYNVANHODOB-LLVKDONJSA-N 0 3 226.324 0.807 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)[C@H]1CN2CCN1CCC2 ZINC000367087965 136341644 /nfs/dbraw/zinc/34/16/44/136341644.db2.gz RVPXPWSSQQEUBR-IJLUTSLNSA-N 0 3 237.347 0.291 20 0 BCADHN COCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000082276357 343437998 /nfs/dbraw/zinc/43/79/98/343437998.db2.gz NVIYWRCWBPCHON-VIFPVBQESA-N 0 3 200.282 0.185 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)[C@H]1CCCO1 ZINC000335842333 136354093 /nfs/dbraw/zinc/35/40/93/136354093.db2.gz RRTCETAFFNXCMI-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CCOCCN(CC)C(=O)CNC(C)C ZINC000082538320 343449520 /nfs/dbraw/zinc/44/95/20/343449520.db2.gz ZHLPNYWTURTGLH-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN COC[C@](C)(CC(=O)OC)NCc1cnc[nH]1 ZINC000350273105 136357316 /nfs/dbraw/zinc/35/73/16/136357316.db2.gz ZGDWQLHKBFZZGX-NSHDSACASA-N 0 3 241.291 0.468 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N1CC(OC)C1 ZINC000335897967 136359648 /nfs/dbraw/zinc/35/96/48/136359648.db2.gz AHLKAYSHUZVKBP-LLVKDONJSA-N 0 3 226.320 0.718 20 0 BCADHN Cn1nccc1CN1CC[C@@H](O)C1(C)C ZINC000335897431 136359764 /nfs/dbraw/zinc/35/97/64/136359764.db2.gz KGFNCEUKDYLNAI-SNVBAGLBSA-N 0 3 209.293 0.765 20 0 BCADHN CC[C@H](N)c1cn([C@@H]2CON(CC)C2=O)nn1 ZINC000641094707 362222569 /nfs/dbraw/zinc/22/25/69/362222569.db2.gz BIFQQGLSNHYNJD-IONNQARKSA-N 0 3 239.279 0.023 20 0 BCADHN COC(=O)[C@H]1CCCN(C[C@H](O)CSC)C1 ZINC000187808494 259362791 /nfs/dbraw/zinc/36/27/91/259362791.db2.gz VTYFTHDMKZEESS-UWVGGRQHSA-N 0 3 247.360 0.595 20 0 BCADHN O[C@@H](CNC[C@@H](O)C(F)(F)F)C1CC1 ZINC000082681179 343460061 /nfs/dbraw/zinc/46/00/61/343460061.db2.gz YEMWOWGLXWUUIS-NKWVEPMBSA-N 0 3 213.199 0.270 20 0 BCADHN C[C@@H](C(=O)N1C[C@H](C)N(C)C[C@@H]1C)N(C)C ZINC000678216820 488219649 /nfs/dbraw/zinc/21/96/49/488219649.db2.gz ICHKKQPBEYPIFO-DCAQKATOSA-N 0 3 227.352 0.488 20 0 BCADHN COC[C@@H](Cn1cc([C@H](N)C(C)C)nn1)OC ZINC000641108430 362226730 /nfs/dbraw/zinc/22/67/30/362226730.db2.gz OSHRJPRZRMVMGP-MWLCHTKSSA-N 0 3 242.323 0.595 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)CNC2CC2)[C@H](C)O1 ZINC000395064653 362227039 /nfs/dbraw/zinc/22/70/39/362227039.db2.gz AMKXIZOSTKTDAV-KHQFGBGNSA-N 0 3 212.293 0.421 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C2(CC(N)=O)CCC2)n1 ZINC000351503372 136369035 /nfs/dbraw/zinc/36/90/35/136369035.db2.gz QLTWEOYLLAFUMT-UHFFFAOYSA-N 0 3 249.314 0.983 20 0 BCADHN CN(C[C@@H](O)CN1CC[C@@](C)(F)C1)C1CC1 ZINC000351575253 136369285 /nfs/dbraw/zinc/36/92/85/136369285.db2.gz SEPNPKOEDXOTEU-VXGBXAGGSA-N 0 3 230.327 0.875 20 0 BCADHN CN[C@@H](C)C(=O)NCCOCC(F)(F)F ZINC000082627847 343457822 /nfs/dbraw/zinc/45/78/22/343457822.db2.gz RREDAFQYDCDMSM-LURJTMIESA-N 0 3 228.214 0.289 20 0 BCADHN C[C@@H](N)C(=O)N(C)CCC1CCOCC1 ZINC000258729163 136373725 /nfs/dbraw/zinc/37/37/25/136373725.db2.gz HMMDFRPZLVAEEW-SECBINFHSA-N 0 3 214.309 0.609 20 0 BCADHN COC1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000335654380 136376293 /nfs/dbraw/zinc/37/62/93/136376293.db2.gz UVAVLGISVIVLLQ-LLVKDONJSA-N 0 3 226.320 0.751 20 0 BCADHN CCn1cc(CC(=O)NC[C@H](C)N(C)C)cn1 ZINC000616489214 343475303 /nfs/dbraw/zinc/47/53/03/343475303.db2.gz RWNWDZPOBHNHTF-JTQLQIEISA-N 0 3 238.335 0.512 20 0 BCADHN c1cnc(N2CCN(C[C@H]3CCOC3)CC2)cn1 ZINC000047717605 343468627 /nfs/dbraw/zinc/46/86/27/343468627.db2.gz HHWFBKGGEQBDEO-GFCCVEGCSA-N 0 3 248.330 0.635 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CC12CCOCC2)N(C)C ZINC000616488340 343470910 /nfs/dbraw/zinc/47/09/10/343470910.db2.gz KMBNANNNMNOKFZ-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN Cc1ccncc1CC(=O)NC[C@H](C)N(C)C ZINC000616486755 343471512 /nfs/dbraw/zinc/47/15/12/343471512.db2.gz FIXRMIRVNIIJMC-NSHDSACASA-N 0 3 235.331 0.999 20 0 BCADHN CO[C@H]1CCCN(C[C@H](O)CSC)C1 ZINC000187812656 259363268 /nfs/dbraw/zinc/36/32/68/259363268.db2.gz FDXYKKLAKYVVAO-UWVGGRQHSA-N 0 3 219.350 0.821 20 0 BCADHN CCCN1CCCC[C@H]1CNS(C)(=O)=O ZINC000047718802 343472124 /nfs/dbraw/zinc/47/21/24/343472124.db2.gz PNIWDPFCBVTTLQ-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN CNC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082944011 343472389 /nfs/dbraw/zinc/47/23/89/343472389.db2.gz NKISBHQJXFUVLF-SFGNSQDASA-N 0 3 212.293 0.136 20 0 BCADHN C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H](C)N(C)C ZINC000616486847 343472459 /nfs/dbraw/zinc/47/24/59/343472459.db2.gz HRAZZVQDHQCAEC-UWVGGRQHSA-N 0 3 238.335 0.655 20 0 BCADHN NCC(=O)N1CCC[C@@H]1c1ccccn1 ZINC000083937535 343507431 /nfs/dbraw/zinc/50/74/31/343507431.db2.gz NJFXYWQZFJXHOY-SNVBAGLBSA-N 0 3 205.261 0.704 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000580551776 365757003 /nfs/dbraw/zinc/75/70/03/365757003.db2.gz GGVBGRRBNFAHFJ-QGKZMRNZSA-N 0 3 236.315 0.407 20 0 BCADHN CCN(Cc1ccccn1)C(=O)[C@@H](C)N ZINC000083914239 343509194 /nfs/dbraw/zinc/50/91/94/343509194.db2.gz KDMQGSQNGPAUEB-SECBINFHSA-N 0 3 207.277 0.777 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)CCOC ZINC000089634366 343510713 /nfs/dbraw/zinc/51/07/13/343510713.db2.gz VYVRZMHEJGUTKS-NXEZZACHSA-N 0 3 237.365 0.824 20 0 BCADHN CN(CCN1CCCCC1)C(=O)[C@@H](O)C1CC1 ZINC000616567495 343510795 /nfs/dbraw/zinc/51/07/95/343510795.db2.gz QPJNIMJIQZCUFY-LBPRGKRZSA-N 0 3 240.347 0.702 20 0 BCADHN CCN(C#N)CCN[C@H]1C[C@H](O)C12CCC2 ZINC000602898803 349815033 /nfs/dbraw/zinc/81/50/33/349815033.db2.gz XLQPUPXOCQPDKI-QWRGUYRKSA-N 0 3 223.320 0.682 20 0 BCADHN CC(C(=O)NCCc1ccco1)S(C)(=O)=O ZINC000047741912 343517507 /nfs/dbraw/zinc/51/75/07/343517507.db2.gz VSBZCMWANKBFAT-QMMMGPOBSA-N 0 3 245.300 0.371 20 0 BCADHN C[C@H](NC[C@H]1CNCCO1)c1ccoc1 ZINC000580550945 365755217 /nfs/dbraw/zinc/75/52/17/365755217.db2.gz KQQRECLMVIMZKG-GXSJLCMTSA-N 0 3 210.277 0.919 20 0 BCADHN COC[C@H](O)CN(C)CCOCC1CC1 ZINC000083825861 343503240 /nfs/dbraw/zinc/50/32/40/343503240.db2.gz CVJRBYMMIVRWRV-LLVKDONJSA-N 0 3 217.309 0.352 20 0 BCADHN C[C@H](N[C@H]1CCN(C)C1)c1cnn(C)c1 ZINC000044500344 343504383 /nfs/dbraw/zinc/50/43/83/343504383.db2.gz JICIEUHOMGRVSF-ONGXEEELSA-N 0 3 208.309 0.775 20 0 BCADHN CN(C)C1(CNC(=O)c2cccc(=O)n2C)CC1 ZINC000622721507 343574445 /nfs/dbraw/zinc/57/44/45/343574445.db2.gz UHHQIGUCMBDKHA-UHFFFAOYSA-N 0 3 249.314 0.209 20 0 BCADHN CN(C)C1(CNC(=O)Cc2ccon2)CC1 ZINC000622721518 343574568 /nfs/dbraw/zinc/57/45/68/343574568.db2.gz UWCZOHGLHMGBPK-UHFFFAOYSA-N 0 3 223.276 0.428 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H]1CCCN1C ZINC000622727921 343578013 /nfs/dbraw/zinc/57/80/13/343578013.db2.gz KIVXXCWQSPYJLG-MWLCHTKSSA-N 0 3 241.335 0.064 20 0 BCADHN O=c1ccccn1CCN(CCCO)C1CC1 ZINC000379605920 343582310 /nfs/dbraw/zinc/58/23/10/343582310.db2.gz JFKMQZANXCLECD-UHFFFAOYSA-N 0 3 236.315 0.695 20 0 BCADHN CC[C@@H](C(=O)N(C)CC1CN(C)C1)N(C)C ZINC000618192399 343583984 /nfs/dbraw/zinc/58/39/84/343583984.db2.gz MGLMSWUGFZDQDN-NSHDSACASA-N 0 3 227.352 0.347 20 0 BCADHN C[C@@H](CCNCc1cn[nH]c1)[S@](C)=O ZINC000379617220 343586123 /nfs/dbraw/zinc/58/61/23/343586123.db2.gz AGAYZFNVWYYXAO-RTHLEPHNSA-N 0 3 215.322 0.656 20 0 BCADHN O[C@@H]1COCC[C@H]1N[C@H]1CCCn2nccc21 ZINC000624239432 343587412 /nfs/dbraw/zinc/58/74/12/343587412.db2.gz LEPLXEOURKAPET-HOSYDEDBSA-N 0 3 237.303 0.457 20 0 BCADHN CN1CC[C@H](NC(=O)Nc2cccnc2)C1 ZINC000048909457 343589895 /nfs/dbraw/zinc/58/98/95/343589895.db2.gz MJWVQWADYWTRDU-JTQLQIEISA-N 0 3 220.276 0.907 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)c1cn(C)cn1 ZINC000622728487 343581057 /nfs/dbraw/zinc/58/10/57/343581057.db2.gz CYBCCUOBAUSDCS-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1cnc(C)cn1 ZINC000048416656 343581104 /nfs/dbraw/zinc/58/11/04/343581104.db2.gz KQGUVXIHWXTNGD-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN Cc1nc(C(=O)N(C)C[C@@H]2CCCN2C)c[nH]1 ZINC000622728420 343581191 /nfs/dbraw/zinc/58/11/91/343581191.db2.gz BILJBIDHAFANKP-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN Cc1cc(C(=O)N(C)C[C@H]2CCCN2C)cnn1 ZINC000622728474 343581306 /nfs/dbraw/zinc/58/13/06/343581306.db2.gz CLEUTJGVYSIMCS-GFCCVEGCSA-N 0 3 248.330 0.951 20 0 BCADHN CN(CC(C)(C)O)[C@H]1CCCCNC1=O ZINC000086274483 343616203 /nfs/dbraw/zinc/61/62/03/343616203.db2.gz KELHTESZPZEELU-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN C([C@@H]1CNCCO1)N1CCSCC1 ZINC000043802040 187267699 /nfs/dbraw/zinc/26/76/99/187267699.db2.gz LVUGOVUEAMGIDJ-VIFPVBQESA-N 0 3 202.323 0.024 20 0 BCADHN CSCCCN1CCN(C)C[C@H]1CO ZINC000602905912 349818394 /nfs/dbraw/zinc/81/83/94/349818394.db2.gz VXQQEOLRRIEWKB-JTQLQIEISA-N 0 3 218.366 0.348 20 0 BCADHN CN(CC1CN(C)C1)C(=O)[C@H]1CCCN1C ZINC000618193845 343603275 /nfs/dbraw/zinc/60/32/75/343603275.db2.gz GPNXUJYHSTXJHD-LLVKDONJSA-N 0 3 225.336 0.101 20 0 BCADHN CCCNC(=O)CN[C@H](CO)C(C)C ZINC000086124246 343611643 /nfs/dbraw/zinc/61/16/43/343611643.db2.gz LUBWORPDXGYHQK-SECBINFHSA-N 0 3 202.298 0.119 20 0 BCADHN CCN(CC(C)C)C(=O)CNCCOC ZINC000086157931 343612075 /nfs/dbraw/zinc/61/20/75/343612075.db2.gz KKXUKKJLPFZXRS-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN CC[C@@H](N)C(=O)N(C)CCc1nccs1 ZINC000152916992 343612202 /nfs/dbraw/zinc/61/22/02/343612202.db2.gz XPXJHQVXOWMXGK-MRVPVSSYSA-N 0 3 227.333 0.881 20 0 BCADHN COCCNCC(=O)N(C)[C@@H]1CCSC1 ZINC000086157937 343612640 /nfs/dbraw/zinc/61/26/40/343612640.db2.gz GFALAKPUTCNTMZ-SECBINFHSA-N 0 3 232.349 0.186 20 0 BCADHN COCCNCC(=O)N1CCSC[C@H]1C ZINC000086158326 343612783 /nfs/dbraw/zinc/61/27/83/343612783.db2.gz IUTFADXESSBVFG-SECBINFHSA-N 0 3 232.349 0.186 20 0 BCADHN COC[C@](C)(CO)NCCC(=O)OC(C)(C)C ZINC000602930645 349822139 /nfs/dbraw/zinc/82/21/39/349822139.db2.gz AFVBVPFWFPFVQE-LBPRGKRZSA-N 0 3 247.335 0.705 20 0 BCADHN COCCN1CCN(CC(C)C)CC1 ZINC000053420525 343647693 /nfs/dbraw/zinc/64/76/93/343647693.db2.gz NEMMNWHIPKNQEL-UHFFFAOYSA-N 0 3 200.326 0.906 20 0 BCADHN CC[C@@H](C(=O)NC1([C@@H](C)O)CC1)N(C)C ZINC000620065489 343622342 /nfs/dbraw/zinc/62/23/42/343622342.db2.gz ULMINEIYVKEEMW-BDAKNGLRSA-N 0 3 214.309 0.356 20 0 BCADHN CC[C@H](C(=O)NC1([C@@H](C)O)CC1)N(C)C ZINC000620065492 343622557 /nfs/dbraw/zinc/62/25/57/343622557.db2.gz ULMINEIYVKEEMW-RKDXNWHRSA-N 0 3 214.309 0.356 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](COC)C1CC1 ZINC000125360525 343625615 /nfs/dbraw/zinc/62/56/15/343625615.db2.gz UWWQKKZFUPWCAD-RKDXNWHRSA-N 0 3 200.282 0.265 20 0 BCADHN CSCC[C@H](NC1CSC1)C(=O)N(C)C ZINC000309072359 349827369 /nfs/dbraw/zinc/82/73/69/349827369.db2.gz FQJHAACRIXFBNS-VIFPVBQESA-N 0 3 248.417 0.901 20 0 BCADHN COC(=O)CCCN1C[C@H](OC)C[C@]1(C)CO ZINC000602963774 349826452 /nfs/dbraw/zinc/82/64/52/349826452.db2.gz IKBJSIFKMUWERP-ZYHUDNBSSA-N 0 3 245.319 0.411 20 0 BCADHN CN(C)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000309070672 349826593 /nfs/dbraw/zinc/82/65/93/349826593.db2.gz BXOCPEARAFAIQW-SNVBAGLBSA-N 0 3 211.309 0.694 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H](COC)C1CC1 ZINC000087478435 343650575 /nfs/dbraw/zinc/65/05/75/343650575.db2.gz MZSSEECYLGPDBJ-WCBMZHEXSA-N 0 3 214.309 0.526 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC000047953801 343667310 /nfs/dbraw/zinc/66/73/10/343667310.db2.gz APAJMLWVTJDDIV-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN CN1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000221688520 346953156 /nfs/dbraw/zinc/95/31/56/346953156.db2.gz TXGOYTIJKIHNPH-TXEJJXNPSA-N 0 3 238.331 0.718 20 0 BCADHN CC(C)[C@H](O)CN1CCC[C@H]1C(=O)N(C)C ZINC000340275235 187346170 /nfs/dbraw/zinc/34/61/70/187346170.db2.gz AXEUCPVJVHPSOD-WDEREUQCSA-N 0 3 228.336 0.556 20 0 BCADHN CCN(C)C[C@H](O)CSc1ncccn1 ZINC000309023181 346954305 /nfs/dbraw/zinc/95/43/05/346954305.db2.gz WFSQIEUBECJRGG-VIFPVBQESA-N 0 3 227.333 0.881 20 0 BCADHN CC[C@@H](N)c1cn(Cc2nccnc2C)nn1 ZINC000641166997 362250202 /nfs/dbraw/zinc/25/02/02/362250202.db2.gz XWCPLGOSYRHSES-SECBINFHSA-N 0 3 232.291 0.835 20 0 BCADHN Cc1cccc(CS(=O)(=O)C(C)C(N)=O)c1 ZINC000046106161 187269784 /nfs/dbraw/zinc/26/97/84/187269784.db2.gz XLKLCUOIBXZLKW-VIFPVBQESA-N 0 3 241.312 0.784 20 0 BCADHN C[C@@H]1[C@@H](C)N(C(=O)Cc2ccn[nH]2)CCN1C ZINC000336346186 537803138 /nfs/dbraw/zinc/80/31/38/537803138.db2.gz VDBPQWJXOYHQHW-NXEZZACHSA-N 0 3 236.319 0.503 20 0 BCADHN Cc1nc(CN2CCc3nc[nH]c3C2)n[nH]1 ZINC000625435167 343736710 /nfs/dbraw/zinc/73/67/10/343736710.db2.gz NSGZULUNNOHTHG-UHFFFAOYSA-N 0 3 218.264 0.395 20 0 BCADHN CCC(CC)[NH2+]CCN=c1ncnc2[nH][n-]cc1-2 ZINC000624356306 343737465 /nfs/dbraw/zinc/73/74/65/343737465.db2.gz USWYRFOTBXQUJC-UHFFFAOYSA-N 0 3 248.334 0.917 20 0 BCADHN CS[C@H](C)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000261533604 349849797 /nfs/dbraw/zinc/84/97/97/349849797.db2.gz LCGMKVZBILFYRT-DJLDLDEBSA-N 0 3 216.350 0.947 20 0 BCADHN CN1CCC[C@@H]1CNCc1cnc2cnccn12 ZINC000156701911 343737640 /nfs/dbraw/zinc/73/76/40/343737640.db2.gz DTJCIFLMWZUPDQ-LLVKDONJSA-N 0 3 245.330 0.913 20 0 BCADHN CN1CCC[C@H]1CNCc1cnc2cnccn12 ZINC000156702048 343737648 /nfs/dbraw/zinc/73/76/48/343737648.db2.gz DTJCIFLMWZUPDQ-NSHDSACASA-N 0 3 245.330 0.913 20 0 BCADHN CCC1(CNCc2cnnn2C)COC1 ZINC000309057295 346958848 /nfs/dbraw/zinc/95/88/48/346958848.db2.gz UZLWSBDXALMYDW-UHFFFAOYSA-N 0 3 210.281 0.331 20 0 BCADHN CN1C[C@H](CN2CCC[C@@](C)(O)CC2)OC1=O ZINC000496715930 529825231 /nfs/dbraw/zinc/82/52/31/529825231.db2.gz DOHINJIYOZDVOT-ZYHUDNBSSA-N 0 3 242.319 0.674 20 0 BCADHN CN1C[C@H](CN(CCO)C2CCC2)OC1=O ZINC000496840401 529825313 /nfs/dbraw/zinc/82/53/13/529825313.db2.gz PKFUNUCVYMMKKZ-SNVBAGLBSA-N 0 3 228.292 0.284 20 0 BCADHN CC1(C)COC[C@@H]1NCC(=O)N1CCCC1 ZINC000312990610 343711582 /nfs/dbraw/zinc/71/15/82/343711582.db2.gz WVPXBCFUTOKLIO-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN O=C(C[C@H]1CCCO1)NCCNc1ccncc1 ZINC000533811962 343712121 /nfs/dbraw/zinc/71/21/21/343712121.db2.gz NZHBEFNTUPSOHS-GFCCVEGCSA-N 0 3 249.314 0.601 20 0 BCADHN O=C(CNC1CC1)NC[C@@H](O)C1CCCCC1 ZINC000154225367 343712582 /nfs/dbraw/zinc/71/25/82/343712582.db2.gz NEIXNASMPQHBOQ-GFCCVEGCSA-N 0 3 240.347 0.796 20 0 BCADHN CSC[C@H](O)CN1CCN(CC2CC2)CC1 ZINC000187835964 259369918 /nfs/dbraw/zinc/36/99/18/259369918.db2.gz AXZATPLIIJQXLJ-GFCCVEGCSA-N 0 3 244.404 0.738 20 0 BCADHN CN(CCNC(=O)N1CC=CC1)C1CC1 ZINC000636776580 349851524 /nfs/dbraw/zinc/85/15/24/349851524.db2.gz HWZYVOJIMXYWCY-UHFFFAOYSA-N 0 3 209.293 0.662 20 0 BCADHN CC(C(=O)NCCC(C)(C)C)S(C)(=O)=O ZINC000048152586 343715626 /nfs/dbraw/zinc/71/56/26/343715626.db2.gz HMQJJYJLVQRHCN-MRVPVSSYSA-N 0 3 235.349 0.972 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)CNC1CC1 ZINC000154445929 343715653 /nfs/dbraw/zinc/71/56/53/343715653.db2.gz QDNOVLDYHXMTKJ-IUCAKERBSA-N 0 3 214.309 0.262 20 0 BCADHN O=C1[C@@H](N[C@@H]2CCCOC2)CCN1C1CCC1 ZINC000624342349 343723602 /nfs/dbraw/zinc/72/36/02/343723602.db2.gz CMPVGIUTLZPZMM-PWSUYJOCSA-N 0 3 238.331 0.908 20 0 BCADHN CN1CCC(C(=O)N2CCC[C@H]2CO)CC1 ZINC000340331053 187348154 /nfs/dbraw/zinc/34/81/54/187348154.db2.gz ORIHSWVSZHPJKG-NSHDSACASA-N 0 3 226.320 0.312 20 0 BCADHN CCc1cccc(CNc2nc(N)nc(N)n2)c1 ZINC000624353286 343730533 /nfs/dbraw/zinc/73/05/33/343730533.db2.gz LLMYPAFYARVUBR-UHFFFAOYSA-N 0 3 244.302 0.293 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC(C)(F)CC1 ZINC000602993387 349848356 /nfs/dbraw/zinc/84/83/56/349848356.db2.gz ZQTGTAZQDRWQHT-NSHDSACASA-N 0 3 233.283 0.734 20 0 BCADHN COC(=O)CCN[C@@H]1CCCn2nccc21 ZINC000603028143 349858943 /nfs/dbraw/zinc/85/89/43/349858943.db2.gz RAKKYDDOXSZFFF-SECBINFHSA-N 0 3 223.276 0.871 20 0 BCADHN COc1cncc(CN2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000625447179 343771761 /nfs/dbraw/zinc/77/17/61/343771761.db2.gz ZVVUKFYVZNSANQ-CMPLNLGQSA-N 0 3 248.330 0.621 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCO[C@@H]1C ZINC000089638419 343748064 /nfs/dbraw/zinc/74/80/64/343748064.db2.gz BWQLJQYLOMNYEQ-IVZWLZJFSA-N 0 3 235.349 0.577 20 0 BCADHN Cc1cc(C)cc(CNc2nc(N)nc(N)n2)c1 ZINC000624395437 343751769 /nfs/dbraw/zinc/75/17/69/343751769.db2.gz YWMFWMXTRJQGHM-UHFFFAOYSA-N 0 3 244.302 0.348 20 0 BCADHN C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccco2)C[NH2+]1 ZINC000624405894 343755843 /nfs/dbraw/zinc/75/58/43/343755843.db2.gz QXLABYXVKIWOCY-IUCAKERBSA-N 0 3 244.316 0.698 20 0 BCADHN C[C@@H]1CN(c2ncnc3n[nH]cc32)C[C@H](C)N1 ZINC000624406753 343756665 /nfs/dbraw/zinc/75/66/65/343756665.db2.gz KVPSNHYFUZPURF-OCAPTIKFSA-N 0 3 232.291 0.540 20 0 BCADHN CCN(C[C@@H](O)CC1(O)CCC1)[C@@H]1CCOC1 ZINC000625445053 343761916 /nfs/dbraw/zinc/76/19/16/343761916.db2.gz QNJGOCUMAPWJER-NEPJUHHUSA-N 0 3 243.347 0.763 20 0 BCADHN CN(CCC1(O)CC1)[C@H]1CCC(=O)N(C)C1 ZINC000584121837 343762541 /nfs/dbraw/zinc/76/25/41/343762541.db2.gz ZKFYKZQKGDPSPI-JTQLQIEISA-N 0 3 226.320 0.454 20 0 BCADHN CC(C)N(CCc1cn(C)nn1)[C@@H]1CCOC1 ZINC000625444735 343762561 /nfs/dbraw/zinc/76/25/61/343762561.db2.gz OWPZZSOJDXKXGD-GFCCVEGCSA-N 0 3 238.335 0.857 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccncn1 ZINC000623027774 346965261 /nfs/dbraw/zinc/96/52/61/346965261.db2.gz WUVHMHMQTSMYOV-GHMZBOCLSA-N 0 3 248.330 0.966 20 0 BCADHN CN1CCN(CC2CCOCC2)C(C)(C)C1=O ZINC000176333334 343764647 /nfs/dbraw/zinc/76/46/47/343764647.db2.gz DOQGVVLIUMXSKY-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CN1CCC[C@@H](NC(=O)COc2cccnc2)C1 ZINC000590309839 346966037 /nfs/dbraw/zinc/96/60/37/346966037.db2.gz BBKBDBHVLRUGHA-LLVKDONJSA-N 0 3 249.314 0.671 20 0 BCADHN CC[C@H]1CCCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC000030142693 343766787 /nfs/dbraw/zinc/76/67/87/343766787.db2.gz PVABGYMEBBKFTD-IUCAKERBSA-N 0 3 227.308 0.692 20 0 BCADHN COCC[C@H](C)N1CC[C@@H](NC(N)=O)C1 ZINC000342868734 537814317 /nfs/dbraw/zinc/81/43/17/537814317.db2.gz QKIJQJVDOITDCO-DTWKUNHWSA-N 0 3 215.297 0.154 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC000179360798 346982375 /nfs/dbraw/zinc/98/23/75/346982375.db2.gz HEPHTFPAHMZRTJ-SNVBAGLBSA-N 0 3 236.319 0.634 20 0 BCADHN NC(=O)C[C@@H]1CCCN(Cc2cn[nH]c2)C1 ZINC000678285800 488237946 /nfs/dbraw/zinc/23/79/46/488237946.db2.gz GUZAPHJKROBXBO-VIFPVBQESA-N 0 3 222.292 0.497 20 0 BCADHN CC(C)NC(=O)CN(C)[C@]1(CO)CC[C@@H](C)C1 ZINC000187944001 259371274 /nfs/dbraw/zinc/37/12/74/259371274.db2.gz DZNYWLCLUZFXGO-DGCLKSJQSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](N[C@H]1CSC[C@H]1C)C(N)=O ZINC000336655145 537819216 /nfs/dbraw/zinc/81/92/16/537819216.db2.gz OLEIDRFBRYNWJQ-CSMHCCOUSA-N 0 3 202.323 0.591 20 0 BCADHN COC[C@]1(C)CCN(CCc2cn(C)nn2)C1 ZINC000625451527 343827510 /nfs/dbraw/zinc/82/75/10/343827510.db2.gz AFFMXDUPNSLNCI-GFCCVEGCSA-N 0 3 238.335 0.716 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)/C=C/c1ncc[nH]1 ZINC000493753666 529900955 /nfs/dbraw/zinc/90/09/55/529900955.db2.gz MNJXFMGAPCPAHQ-AATRIKPKSA-N 0 3 248.330 0.976 20 0 BCADHN Cn1nncc1Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000641170004 362251151 /nfs/dbraw/zinc/25/11/51/362251151.db2.gz VDCSFFRVJBJGQT-SNVBAGLBSA-N 0 3 249.322 0.501 20 0 BCADHN CC[C@H](OC)C(=O)NCCN(C)C1CC1 ZINC000066053540 343842738 /nfs/dbraw/zinc/84/27/38/343842738.db2.gz VKBVTVJUDUAHNZ-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN CNC(=O)OC[C@H]1CCCCN1C[C@H](C)O ZINC000496071332 529892650 /nfs/dbraw/zinc/89/26/50/529892650.db2.gz XJFFDLUWTWEOAR-VHSXEESVSA-N 0 3 230.308 0.578 20 0 BCADHN CN(CCCO)CCNC(=O)OC(C)(C)C ZINC000496106563 529893960 /nfs/dbraw/zinc/89/39/60/529893960.db2.gz YBYXRPNLGGPSGE-UHFFFAOYSA-N 0 3 232.324 0.825 20 0 BCADHN CCCN(CC)C(=O)NC[C@@H]1CNCCO1 ZINC000418758238 192066611 /nfs/dbraw/zinc/06/66/11/192066611.db2.gz FIBWOVPZUZDTEG-JTQLQIEISA-N 0 3 229.324 0.416 20 0 BCADHN OC[C@@H](O)CNCc1scnc1C1CC1 ZINC000336728031 537829701 /nfs/dbraw/zinc/82/97/01/537829701.db2.gz HWEAAHJUIVTZCT-QMMMGPOBSA-N 0 3 228.317 0.463 20 0 BCADHN CC(C)(C)CNC(=O)CN[C@@H]1C[C@@H](O)C1(C)C ZINC000625459248 343862425 /nfs/dbraw/zinc/86/24/25/343862425.db2.gz USPZMGRAALMVJM-NXEZZACHSA-N 0 3 242.363 0.898 20 0 BCADHN C[C@@H]1C[C@H](O)CN(CCOC2CCOCC2)C1 ZINC000625463307 343866877 /nfs/dbraw/zinc/86/68/77/343866877.db2.gz ANYOGSYQYSHTEF-NEPJUHHUSA-N 0 3 243.347 0.885 20 0 BCADHN CCNCc1cn(Cc2nnc(C(C)C)[nH]2)nn1 ZINC000641171891 362251932 /nfs/dbraw/zinc/25/19/32/362251932.db2.gz WNLCCIGYCOCKMQ-UHFFFAOYSA-N 0 3 249.322 0.677 20 0 BCADHN CCNCc1cn(Cc2n[nH]c(C(C)C)n2)nn1 ZINC000641171891 362251936 /nfs/dbraw/zinc/25/19/36/362251936.db2.gz WNLCCIGYCOCKMQ-UHFFFAOYSA-N 0 3 249.322 0.677 20 0 BCADHN CCCC(C)(C)NC(=O)NC[C@@H]1CNCCO1 ZINC000418764033 192067043 /nfs/dbraw/zinc/06/70/43/192067043.db2.gz KLZHRTUMBARHHO-JTQLQIEISA-N 0 3 243.351 0.853 20 0 BCADHN C[C@@H]1C[C@H]1CN[C@H](CO)c1ccnn1C ZINC000625467328 343871940 /nfs/dbraw/zinc/87/19/40/343871940.db2.gz WTXMNMMHTYBTNW-KXUCPTDWSA-N 0 3 209.293 0.699 20 0 BCADHN CC[C@H](C(=O)OC)n1cc([C@@H](N)CC)nn1 ZINC000603189160 349881944 /nfs/dbraw/zinc/88/19/44/349881944.db2.gz ISCKRBCAHCMXPD-IONNQARKSA-N 0 3 226.280 0.812 20 0 BCADHN CN(CCNC(=O)OC(C)(C)C)C1(CO)CC1 ZINC000497073317 529915816 /nfs/dbraw/zinc/91/58/16/529915816.db2.gz JCWZOJNPSBPUSA-UHFFFAOYSA-N 0 3 244.335 0.968 20 0 BCADHN COC[C@@H](C)OC[C@H](O)CNCC(C)(C)F ZINC000634723646 343890543 /nfs/dbraw/zinc/89/05/43/343890543.db2.gz ZXLLTCXPNHQQGV-NXEZZACHSA-N 0 3 237.315 0.737 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@@H](C)N)CCS1 ZINC000121603314 187354543 /nfs/dbraw/zinc/35/45/43/187354543.db2.gz BEACQFSZTKFRHV-BDAKNGLRSA-N 0 3 216.350 0.934 20 0 BCADHN CC(C)C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000683911382 488243846 /nfs/dbraw/zinc/24/38/46/488243846.db2.gz BZSZFVXFDRIITD-LBPRGKRZSA-N 0 3 228.336 0.558 20 0 BCADHN CN1CC[C@H](N[C@@H]2CCC[C@]2(C)CO)C1=O ZINC000309603544 343936405 /nfs/dbraw/zinc/93/64/05/343936405.db2.gz YDWYRTQMYZPQMM-HOSYDEDBSA-N 0 3 226.320 0.358 20 0 BCADHN O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H]2C[C@@H]2C1 ZINC000619359338 343942175 /nfs/dbraw/zinc/94/21/75/343942175.db2.gz KTPSRBVAPIXXAZ-UPJWGTAASA-N 0 3 249.358 0.245 20 0 BCADHN O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H]2C[C@H]2C1 ZINC000619359336 343942328 /nfs/dbraw/zinc/94/23/28/343942328.db2.gz KTPSRBVAPIXXAZ-AVGNSLFASA-N 0 3 249.358 0.245 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](O)C(C)(C)C2)C1 ZINC000570582350 323064105 /nfs/dbraw/zinc/06/41/05/323064105.db2.gz UHNAEPYQVBMVSA-GHMZBOCLSA-N 0 3 240.347 0.558 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)C=Cc1c[nH]cn1 ZINC000493174981 529949244 /nfs/dbraw/zinc/94/92/44/529949244.db2.gz YNIYOLUBGILSBV-FJOGCWAESA-N 0 3 248.330 0.976 20 0 BCADHN C[C@@H](O)CN(C[C@H](O)CC1(O)CCC1)C1CC1 ZINC000625519374 343916548 /nfs/dbraw/zinc/91/65/48/343916548.db2.gz VCOYJPSUXGWKPH-ZYHUDNBSSA-N 0 3 243.347 0.498 20 0 BCADHN Cc1nc([C@@H](C)n2cc([C@H](N)C(C)C)nn2)n[nH]1 ZINC000641177204 362254021 /nfs/dbraw/zinc/25/40/21/362254021.db2.gz CLEALGGLJHUWHN-GMSGAONNSA-N 0 3 249.322 0.970 20 0 BCADHN CCN1CCC(NC(=O)N(C)[C@@H](C)CO)CC1 ZINC000128437086 347016407 /nfs/dbraw/zinc/01/64/07/347016407.db2.gz RPIULHXHCWVPFY-JTQLQIEISA-N 0 3 243.351 0.493 20 0 BCADHN C[C@H](O)[C@H]1CCCN1CCc1cn(C)nn1 ZINC000625538104 343924585 /nfs/dbraw/zinc/92/45/85/343924585.db2.gz CFVMUBWWOSSSBN-GXSJLCMTSA-N 0 3 224.308 0.203 20 0 BCADHN C[C@@H]1CN(CCc2cn(C)nn2)C[C@H](C)[C@H]1O ZINC000625536527 343924638 /nfs/dbraw/zinc/92/46/38/343924638.db2.gz FZOFCJBMYYCMNN-IAZYJMLFSA-N 0 3 238.335 0.306 20 0 BCADHN CO[C@H](Cn1cc(CCN(C)C)nn1)C1CC1 ZINC000641181812 362259515 /nfs/dbraw/zinc/25/95/15/362259515.db2.gz DNCRUMNGYDMOCM-GFCCVEGCSA-N 0 3 238.335 0.807 20 0 BCADHN C[C@@H]1CCN(CCc2cn(C)nn2)C[C@H](C)O1 ZINC000625540266 343930633 /nfs/dbraw/zinc/93/06/33/343930633.db2.gz JHNJPWDKJPAXFJ-MNOVXSKESA-N 0 3 238.335 0.857 20 0 BCADHN C[C@H]1CC[C@@H](Cn2cc(CCN(C)C)nn2)O1 ZINC000641189464 362264069 /nfs/dbraw/zinc/26/40/69/362264069.db2.gz GJSLZTUWZWFSRB-JQWIXIFHSA-N 0 3 238.335 0.950 20 0 BCADHN C[C@@H]1CC[C@H](Cn2cc(CCN(C)C)nn2)O1 ZINC000641189467 362264126 /nfs/dbraw/zinc/26/41/26/362264126.db2.gz GJSLZTUWZWFSRB-ZYHUDNBSSA-N 0 3 238.335 0.950 20 0 BCADHN O[C@H](CCNC[C@H](O)C(F)(F)F)C(F)F ZINC000634726583 343952039 /nfs/dbraw/zinc/95/20/39/343952039.db2.gz WLTFYLYLXAGVDZ-UHNVWZDZSA-N 0 3 237.168 0.515 20 0 BCADHN CCNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000590344169 347021945 /nfs/dbraw/zinc/02/19/45/347021945.db2.gz WQDBLDHCOFXLRD-UHFFFAOYSA-N 0 3 225.296 0.586 20 0 BCADHN CCC[C@@H](N)c1cn(C[C@](C)(O)C(C)=O)nn1 ZINC000641216320 362279833 /nfs/dbraw/zinc/27/98/33/362279833.db2.gz GAWVJZVEMKFOHG-KOLCDFICSA-N 0 3 240.307 0.418 20 0 BCADHN CCC[C@@H](N)c1cn(CC2(O)CCC2)nn1 ZINC000641216815 362280105 /nfs/dbraw/zinc/28/01/05/362280105.db2.gz MDWFKPMSMBXCII-SECBINFHSA-N 0 3 224.308 0.993 20 0 BCADHN COCCN(CCO)CC1=CCCOC1 ZINC000093006108 343962149 /nfs/dbraw/zinc/96/21/49/343962149.db2.gz RHVJLWVEJXPNBZ-UHFFFAOYSA-N 0 3 215.293 0.274 20 0 BCADHN Cc1ccc(CN2C[C@@H](CO)[C@H](CO)C2)nc1 ZINC000625707674 344050468 /nfs/dbraw/zinc/05/04/68/344050468.db2.gz HICLZTMFWJUOTN-RYUDHWBXSA-N 0 3 236.315 0.423 20 0 BCADHN O[C@H]1CN([C@@H]2CCc3ccccc32)C[C@@H]1O ZINC000625713328 344051159 /nfs/dbraw/zinc/05/11/59/344051159.db2.gz ZCUIMJWBSCJYRL-AGIUHOORSA-N 0 3 219.284 0.711 20 0 BCADHN CO[C@@H](CN1C[C@H](O)[C@@H](O)C1)C1CCCC1 ZINC000625713740 344051676 /nfs/dbraw/zinc/05/16/76/344051676.db2.gz TXYGSOMNUVLBGS-SRVKXCTJSA-N 0 3 229.320 0.229 20 0 BCADHN C[C@@H]1CN(CCN(C)CC2(C)COC2)CCO1 ZINC000625791331 344075169 /nfs/dbraw/zinc/07/51/69/344075169.db2.gz MAKLTHRHWIQZSB-GFCCVEGCSA-N 0 3 242.363 0.675 20 0 BCADHN CC(C)COC[C@H](O)CN1CC[C@H](C)[C@H](O)C1 ZINC000330657943 187357049 /nfs/dbraw/zinc/35/70/49/187357049.db2.gz ORYWSOSHIBZCOM-YNEHKIRRSA-N 0 3 245.363 0.723 20 0 BCADHN Cc1cc(=O)[nH]c(C(=O)N[C@@H](C)CN(C)C)c1 ZINC000330614249 187357514 /nfs/dbraw/zinc/35/75/14/187357514.db2.gz ZXUFWMNZDVWUKN-VIFPVBQESA-N 0 3 237.303 0.776 20 0 BCADHN COc1ccc(CNC(=O)C2(N)CC2)cc1 ZINC000083350434 187283947 /nfs/dbraw/zinc/28/39/47/187283947.db2.gz SXOGJFGOSZSXKW-UHFFFAOYSA-N 0 3 220.272 0.803 20 0 BCADHN CC[C@@H](N)C(=O)N1CCOC[C@H]1CC(C)C ZINC000129820266 344064371 /nfs/dbraw/zinc/06/43/71/344064371.db2.gz XNPSUHKQMJEPFQ-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN CCC[C@@H](N)c1cn(C[C@H](O)CSC)nn1 ZINC000603256708 349900799 /nfs/dbraw/zinc/90/07/99/349900799.db2.gz AILDZXPSWVLYBF-DTWKUNHWSA-N 0 3 244.364 0.802 20 0 BCADHN CC(C)[C@H](O)CNCc1ccc(CO)o1 ZINC000126855852 187285397 /nfs/dbraw/zinc/28/53/97/187285397.db2.gz OYWXSUYXIXCNMV-LLVKDONJSA-N 0 3 213.277 0.878 20 0 BCADHN C[C@@H](C(=O)NC1CCN(C)CC1)n1cccn1 ZINC000078947755 344104351 /nfs/dbraw/zinc/10/43/51/344104351.db2.gz SWTYSUDEDMNERA-JTQLQIEISA-N 0 3 236.319 0.655 20 0 BCADHN Cc1nn(C)cc1CNCCCS(C)(=O)=O ZINC000126021010 187358566 /nfs/dbraw/zinc/35/85/66/187358566.db2.gz WOYWMUNITQHFTM-UHFFFAOYSA-N 0 3 245.348 0.253 20 0 BCADHN CCO[C@@H](C)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000068554066 362348407 /nfs/dbraw/zinc/34/84/07/362348407.db2.gz WTYGLBFPLBWDLD-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CCCNC(=O)[C@@H](C)N(C)CC1(C)COC1 ZINC000625794638 344077514 /nfs/dbraw/zinc/07/75/14/344077514.db2.gz STNMGYISAXGBOV-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC[C@@H]1CCCOC1 ZINC000625813481 344081693 /nfs/dbraw/zinc/08/16/93/344081693.db2.gz LORSGRFXADWEDF-QWRGUYRKSA-N 0 3 228.336 0.903 20 0 BCADHN CN(C[C@@H]1CN(C)C(=O)O1)CC(C)(C)CO ZINC000496409225 529957198 /nfs/dbraw/zinc/95/71/98/529957198.db2.gz DFXJDUQPPPNYQS-SECBINFHSA-N 0 3 230.308 0.387 20 0 BCADHN C[C@H]1C[C@H](C)N(CCN2CCCS2(=O)=O)C1 ZINC000335917281 344086325 /nfs/dbraw/zinc/08/63/25/344086325.db2.gz VEKBGFCMGFRRBP-QWRGUYRKSA-N 0 3 246.376 0.752 20 0 BCADHN C[C@H](O)CCN(C)[C@@H]1CCCCN(C)C1=O ZINC000634744035 344164788 /nfs/dbraw/zinc/16/47/88/344164788.db2.gz LZZLHDLCDFLGKO-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN Cc1nccnc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634743891 344164834 /nfs/dbraw/zinc/16/48/34/344164834.db2.gz IDYLIEOMWSGKGJ-PHIMTYICSA-N 0 3 219.288 0.863 20 0 BCADHN C[C@H](O)CN(C)[C@H]1CCCCN(C)C1=O ZINC000634744381 344165417 /nfs/dbraw/zinc/16/54/17/344165417.db2.gz WQMAGOIKPGTWSD-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN Cc1nccc(CN2C[C@@H]3COC[C@@H]3C2)n1 ZINC000634745082 344167017 /nfs/dbraw/zinc/16/70/17/344167017.db2.gz VGMJOQNSRGQUHN-PHIMTYICSA-N 0 3 219.288 0.863 20 0 BCADHN CNC(=O)NC(=O)CN(C(C)C)C(C)C ZINC000180448255 347028436 /nfs/dbraw/zinc/02/84/36/347028436.db2.gz XNMYNDCKUDRDPJ-UHFFFAOYSA-N 0 3 215.297 0.561 20 0 BCADHN CC[C@@H](N)c1cn(C[C@@H](O)CSC)nn1 ZINC000603262632 349902673 /nfs/dbraw/zinc/90/26/73/349902673.db2.gz WLNVBDVNEKZXEC-HTQZYQBOSA-N 0 3 230.337 0.412 20 0 BCADHN CCn1nccc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634746065 344175962 /nfs/dbraw/zinc/17/59/62/344175962.db2.gz DXHSXARHMITRPH-PHIMTYICSA-N 0 3 221.304 0.981 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000130235995 344125549 /nfs/dbraw/zinc/12/55/49/344125549.db2.gz LKZLSWGOZODOLU-DBIOUOCHSA-N 0 3 226.320 0.798 20 0 BCADHN c1nc2cnccn2c1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634746407 344176994 /nfs/dbraw/zinc/17/69/94/344176994.db2.gz UQUZIWNJBTTXCD-PHIMTYICSA-N 0 3 244.298 0.808 20 0 BCADHN C[C@H]1C[C@H](C(=O)N2CCCNCC2)CCO1 ZINC000082239964 344152524 /nfs/dbraw/zinc/15/25/24/344152524.db2.gz JBGBNWUCRPTKRE-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN Cn1nccc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634746728 344177794 /nfs/dbraw/zinc/17/77/94/344177794.db2.gz HYLUWUMIDTWRLL-AOOOYVTPSA-N 0 3 207.277 0.498 20 0 BCADHN CN(C[C@@H]1CCOC1)[C@@H]1CCCCN(C)C1=O ZINC000634739141 344155751 /nfs/dbraw/zinc/15/57/51/344155751.db2.gz KCFZKIXQJXZJOY-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@H](O)CN(C)[C@H]1CCCCN(C)C1=O ZINC000634739389 344161019 /nfs/dbraw/zinc/16/10/19/344161019.db2.gz SRFPSPDZSBBQSW-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H](CO)CN(C)[C@H]1CCCCN(C)C1=O ZINC000634743470 344161376 /nfs/dbraw/zinc/16/13/76/344161376.db2.gz VCXRSMZZAJKOMW-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCOCC(F)(F)C1 ZINC000634739730 344162339 /nfs/dbraw/zinc/16/23/39/344162339.db2.gz DNLAASAYXKZYRF-QMMMGPOBSA-N 0 3 236.262 0.464 20 0 BCADHN COC[C@@H](C)N(C)[C@@H]1CCCCN(C)C1=O ZINC000634739636 344162364 /nfs/dbraw/zinc/16/23/64/344162364.db2.gz BCJAOQWTAJDPIG-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN COC[C@H](C)N(C)[C@H]1CCCCN(C)C1=O ZINC000634739638 344162412 /nfs/dbraw/zinc/16/24/12/344162412.db2.gz BCJAOQWTAJDPIG-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN Cn1ccc(CN2CCN(C)C(C)(C)C2)n1 ZINC000570736093 323068974 /nfs/dbraw/zinc/06/89/74/323068974.db2.gz FUNNMUWDRZPCJK-UHFFFAOYSA-N 0 3 222.336 0.946 20 0 BCADHN C[C@@H](CC[S@@](C)=O)NCc1cnn(C)c1 ZINC000130164585 344218420 /nfs/dbraw/zinc/21/84/20/344218420.db2.gz JQZDCTAQAMDHEI-VFZGTOFNSA-N 0 3 229.349 0.667 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H](C)C(=O)N(C)C ZINC000130480660 344221889 /nfs/dbraw/zinc/22/18/89/344221889.db2.gz JJKBSFDNCGGDIG-DJLDLDEBSA-N 0 3 202.298 0.476 20 0 BCADHN C([C@H]1CNCCO1)N1CCSCC1 ZINC000043802043 344222414 /nfs/dbraw/zinc/22/24/14/344222414.db2.gz LVUGOVUEAMGIDJ-SECBINFHSA-N 0 3 202.323 0.024 20 0 BCADHN C[C@@H](O)CN1CCO[C@H](C(F)F)CC1 ZINC000634758072 344224423 /nfs/dbraw/zinc/22/44/23/344224423.db2.gz HLJIBZSQSJXTCM-SFYZADRCSA-N 0 3 209.236 0.723 20 0 BCADHN C[C@H](CC[S@@](C)=O)NCc1ccnn1C ZINC000131276714 344230067 /nfs/dbraw/zinc/23/00/67/344230067.db2.gz ARLFLZBDUHSGEC-PSLIRLAXSA-N 0 3 229.349 0.667 20 0 BCADHN C[C@@H](CC[S@](C)=O)NCc1cncn1C ZINC000131301065 344230222 /nfs/dbraw/zinc/23/02/22/344230222.db2.gz SNWSITNPDGSMOP-BJOHPYRUSA-N 0 3 229.349 0.667 20 0 BCADHN CC[C@@H](SC)C(=O)N[C@H](CO)CN(C)C ZINC000588865130 344195974 /nfs/dbraw/zinc/19/59/74/344195974.db2.gz TZLPEOBRXZODJP-DTWKUNHWSA-N 0 3 234.365 0.167 20 0 BCADHN CC(C(=O)N1C[C@H](C)C[C@@H]1C)S(C)(=O)=O ZINC000408215810 344250223 /nfs/dbraw/zinc/25/02/23/344250223.db2.gz ANAOXEMBCALALG-VGMNWLOBSA-N 0 3 233.333 0.676 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)C=Cc1c[nH]cn1 ZINC000493174980 529966274 /nfs/dbraw/zinc/96/62/74/529966274.db2.gz YNIYOLUBGILSBV-BTDICHCPSA-N 0 3 248.330 0.976 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)N2CCOCC2)CCN1C ZINC000135395615 344254545 /nfs/dbraw/zinc/25/45/45/344254545.db2.gz HNRDIUSPFNAQFD-QWRGUYRKSA-N 0 3 241.335 0.511 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N2CCOCC2)CCN1C ZINC000135395557 344254794 /nfs/dbraw/zinc/25/47/94/344254794.db2.gz HNRDIUSPFNAQFD-GHMZBOCLSA-N 0 3 241.335 0.511 20 0 BCADHN CCNC(=O)CNC1CC(C)(C(=O)OCC)C1 ZINC000601262618 347041635 /nfs/dbraw/zinc/04/16/35/347041635.db2.gz OYFULNRNYSMJTK-UHFFFAOYSA-N 0 3 242.319 0.444 20 0 BCADHN Cc1ccc(CN2C[C@H](CO)[C@H](O)C2)cc1 ZINC000317691873 344280543 /nfs/dbraw/zinc/28/05/43/344280543.db2.gz RGQCMYGWYGDELS-CHWSQXEVSA-N 0 3 221.300 0.780 20 0 BCADHN CN(C)C(=O)NCCCNCc1cccnc1 ZINC000091960779 344287048 /nfs/dbraw/zinc/28/70/48/344287048.db2.gz AZQZCOVMDBFPPZ-UHFFFAOYSA-N 0 3 236.319 0.833 20 0 BCADHN CN1CCC[C@H](CNc2nccnc2C(N)=O)C1 ZINC000641366393 362379303 /nfs/dbraw/zinc/37/93/03/362379303.db2.gz ZXEISAWTEYDSQE-SECBINFHSA-N 0 3 249.318 0.329 20 0 BCADHN N[C@H](C(=O)N1C[C@@H]2COC[C@@H]2C1)C1CCC1 ZINC000634773575 344292467 /nfs/dbraw/zinc/29/24/67/344292467.db2.gz ITUOEBCRIOOGQH-AXFHLTTASA-N 0 3 224.304 0.219 20 0 BCADHN CC(C)NCC(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634773799 344292607 /nfs/dbraw/zinc/29/26/07/344292607.db2.gz QYGHEOIVCAALEH-AOOOYVTPSA-N 0 3 212.293 0.089 20 0 BCADHN C[C@@H](CN1C[C@@H]2COC[C@@H]2C1)CS(C)(=O)=O ZINC000634781984 344323792 /nfs/dbraw/zinc/32/37/92/344323792.db2.gz WTJWEWPZYFEOGN-GARJFASQSA-N 0 3 247.360 0.245 20 0 BCADHN CN(C[C@H]1CN(C)C(=O)O1)CC1(O)CCC1 ZINC000495655818 529972292 /nfs/dbraw/zinc/97/22/92/529972292.db2.gz XJOIWUJQVYBGLG-VIFPVBQESA-N 0 3 228.292 0.284 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634782459 344325665 /nfs/dbraw/zinc/32/56/65/344325665.db2.gz OUDULOJAFOTIFF-SDDRHHMPSA-N 0 3 240.347 0.822 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@@H]2COC[C@@H]2C1 ZINC000634782862 344326267 /nfs/dbraw/zinc/32/62/67/344326267.db2.gz DTLRAQZXEFDABF-BBBLOLIVSA-N 0 3 224.304 0.232 20 0 BCADHN O=C(CN1C[C@@H]2COC[C@@H]2C1)NC1CCCC1 ZINC000634783376 344327213 /nfs/dbraw/zinc/32/72/13/344327213.db2.gz YDMPFGBZHNQFOQ-PHIMTYICSA-N 0 3 238.331 0.623 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634783851 344328174 /nfs/dbraw/zinc/32/81/74/344328174.db2.gz RLNRTCRVOBUEOT-LPEHRKFASA-N 0 3 212.293 0.041 20 0 BCADHN CCCCCNC(=O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634783951 344328812 /nfs/dbraw/zinc/32/88/12/344328812.db2.gz WGEAJFYWTLWHIC-TXEJJXNPSA-N 0 3 240.347 0.871 20 0 BCADHN CCN1CCC[C@@H]1CNc1ccc(C(N)=O)nn1 ZINC000095009347 344332423 /nfs/dbraw/zinc/33/24/23/344332423.db2.gz ZWBOJPSMRKFYKZ-SECBINFHSA-N 0 3 249.318 0.472 20 0 BCADHN C/C=C/CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000623716627 344355721 /nfs/dbraw/zinc/35/57/21/344355721.db2.gz URTVIULAFFONGE-HMDXOVGESA-N 0 3 211.309 0.956 20 0 BCADHN COCc1noc([C@]2(F)CCNC2)n1 ZINC000306659797 344357209 /nfs/dbraw/zinc/35/72/09/344357209.db2.gz LZAHKXWTWBAVFJ-QMMMGPOBSA-N 0 3 201.201 0.374 20 0 BCADHN CN(CCn1cccn1)Cc1ccn(C)c(=O)c1 ZINC000600700200 344359660 /nfs/dbraw/zinc/35/96/60/344359660.db2.gz XLALAMIQYWPAAI-UHFFFAOYSA-N 0 3 246.314 0.714 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H]2COC[C@@H]2C1)N(C)C ZINC000634776866 344302647 /nfs/dbraw/zinc/30/26/47/344302647.db2.gz OJBDVNAHVNSKTH-AXFHLTTASA-N 0 3 226.320 0.431 20 0 BCADHN CN1CCC[C@H]1CNCc1csnn1 ZINC000132625165 344304068 /nfs/dbraw/zinc/30/40/68/344304068.db2.gz VVNWXZXDLMRMTF-VIFPVBQESA-N 0 3 212.322 0.722 20 0 BCADHN CNC(=O)CCCN(C)[C@@H](C)C[S@@](C)=O ZINC000569549805 344309950 /nfs/dbraw/zinc/30/99/50/344309950.db2.gz GXAJPGOQBMFCKN-BJOHPYRUSA-N 0 3 234.365 0.211 20 0 BCADHN C[C@@H]1CC[N@H+](CCCOC([O-])=NC(N)=O)[C@@H]1C ZINC000093178701 344310226 /nfs/dbraw/zinc/31/02/26/344310226.db2.gz VIFVYXKUVIRNPN-RKDXNWHRSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@@H]1CC[N@@H+](CCCOC([O-])=NC(N)=O)[C@@H]1C ZINC000093178701 344310228 /nfs/dbraw/zinc/31/02/28/344310228.db2.gz VIFVYXKUVIRNPN-RKDXNWHRSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@@H]1CC[N@H+](CCCOC(=O)N=C(N)[O-])[C@@H]1C ZINC000093178701 344310231 /nfs/dbraw/zinc/31/02/31/344310231.db2.gz VIFVYXKUVIRNPN-RKDXNWHRSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@@H]1CC[N@@H+](CCCOC(=O)N=C(N)[O-])[C@@H]1C ZINC000093178701 344310233 /nfs/dbraw/zinc/31/02/33/344310233.db2.gz VIFVYXKUVIRNPN-RKDXNWHRSA-N 0 3 243.307 0.912 20 0 BCADHN CC[C@@](C)(CCO)NC(=O)CN1CC[C@@H](C)C1 ZINC000570823229 323071732 /nfs/dbraw/zinc/07/17/32/323071732.db2.gz FMBKWEFVRYXLFC-YPMHNXCESA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](O)CNCc1ccc(OCCO)cc1 ZINC000032500013 344422489 /nfs/dbraw/zinc/42/24/89/344422489.db2.gz YPNZWQKSEJNRFB-JTQLQIEISA-N 0 3 225.288 0.528 20 0 BCADHN CCOC(=O)C[C@H](O)CN[C@H]1C[C@H](O)C1(C)C ZINC000300022012 344371675 /nfs/dbraw/zinc/37/16/75/344371675.db2.gz XWORODJIMORSBF-GUBZILKMSA-N 0 3 245.319 0.050 20 0 BCADHN COC(=O)[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC000600826846 344381445 /nfs/dbraw/zinc/38/14/45/344381445.db2.gz PYRPAJWBTSSMDD-VIFPVBQESA-N 0 3 242.319 0.491 20 0 BCADHN Cc1nc2ncnn2c(N2CCNCC2)c1C ZINC000634807301 344392025 /nfs/dbraw/zinc/39/20/25/344392025.db2.gz GDIQOPUFFPQDDH-UHFFFAOYSA-N 0 3 232.291 0.151 20 0 BCADHN Cc1nc(N2CCN[C@@H](C)C2)cc2nncn21 ZINC000634808711 344393857 /nfs/dbraw/zinc/39/38/57/344393857.db2.gz ZXLSMBXFFCHAJX-QMMMGPOBSA-N 0 3 232.291 0.231 20 0 BCADHN CCN1CCC(NC(=O)CC(=O)N(C)C)CC1 ZINC000408264887 344396977 /nfs/dbraw/zinc/39/69/77/344396977.db2.gz NEJJBLLJCZKYAV-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)NCC1(C)CCCC1 ZINC000418808959 192070469 /nfs/dbraw/zinc/07/04/69/192070469.db2.gz SAPRHQWBROUSPT-SECBINFHSA-N 0 3 241.335 0.146 20 0 BCADHN C[C@@H](CNC(=O)c1ccnc(F)c1)N(C)C ZINC000041040140 344414648 /nfs/dbraw/zinc/41/46/48/344414648.db2.gz DVENCKHCWVMFBI-QMMMGPOBSA-N 0 3 225.267 0.901 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)[C@H](N)CC(C)C ZINC000042302479 344450265 /nfs/dbraw/zinc/45/02/65/344450265.db2.gz MSJQGHXFANABFS-HTQZYQBOSA-N 0 3 216.281 0.038 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C[C@@H]1CCCO1 ZINC000042338030 344450960 /nfs/dbraw/zinc/45/09/60/344450960.db2.gz XHOXRXHPENPUCY-UWVGGRQHSA-N 0 3 215.293 0.906 20 0 BCADHN COC(=O)CCCN1CCCC[C@H]1CO ZINC000042432352 344452494 /nfs/dbraw/zinc/45/24/94/344452494.db2.gz NMFWGXRYAIFYBL-JTQLQIEISA-N 0 3 215.293 0.786 20 0 BCADHN C[C@@H](N)C(=O)N(C)C[C@@H]1CCCCO1 ZINC000042466056 344455982 /nfs/dbraw/zinc/45/59/82/344455982.db2.gz OFIWTVFLTRWQNT-BDAKNGLRSA-N 0 3 200.282 0.361 20 0 BCADHN Cc1ccncc1CNC[C@H](O)CN(C)C1CC1 ZINC000381173660 344482390 /nfs/dbraw/zinc/48/23/90/344482390.db2.gz MSNLBGQMSBDUCO-AWEZNQCLSA-N 0 3 249.358 0.935 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000037043120 344486287 /nfs/dbraw/zinc/48/62/87/344486287.db2.gz QMTJCMTWDCQXDS-APPZFPTMSA-N 0 3 222.292 0.261 20 0 BCADHN CC1(C)CC[C@@H]1NC[C@@H]1CS(=O)(=O)CCO1 ZINC000381272722 344494018 /nfs/dbraw/zinc/49/40/18/344494018.db2.gz WBQFHHVWBFIYOW-ZJUUUORDSA-N 0 3 247.360 0.578 20 0 BCADHN C[C@H]1C[C@H](Nc2cc(C(N)=O)ncn2)CCN1C ZINC000641395530 362395058 /nfs/dbraw/zinc/39/50/58/362395058.db2.gz DXWFBYFREQCXDU-DTWKUNHWSA-N 0 3 249.318 0.470 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCCN(C)C1)C(=O)OC ZINC000258786270 344501549 /nfs/dbraw/zinc/50/15/49/344501549.db2.gz NPPQULBVCYIHCO-NXEZZACHSA-N 0 3 242.319 0.396 20 0 BCADHN COCCCN(C)CCNCc1cn[nH]c1 ZINC000381478312 344511087 /nfs/dbraw/zinc/51/10/87/344511087.db2.gz RSYKGKWZNMQGED-UHFFFAOYSA-N 0 3 226.324 0.468 20 0 BCADHN C[C@@H]1CC[C@]2(CCN(c3nc(N)nc(N)n3)C2)C1 ZINC000624094013 344513178 /nfs/dbraw/zinc/51/31/78/344513178.db2.gz SPFYANOHCFZNTQ-PELKAZGASA-N 0 3 248.334 0.713 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCN(C(C)=O)CC1 ZINC000037716183 344572674 /nfs/dbraw/zinc/57/26/74/344572674.db2.gz SARBRGGXBRMVBA-LBPRGKRZSA-N 0 3 241.335 0.195 20 0 BCADHN C[C@@H](C(N)=O)N(C)CCN1CCCCC1 ZINC000678537283 488264968 /nfs/dbraw/zinc/26/49/68/488264968.db2.gz ZZSJWUZPRREZHG-JTQLQIEISA-N 0 3 213.325 0.278 20 0 BCADHN CCN[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000381613407 344525801 /nfs/dbraw/zinc/52/58/01/344525801.db2.gz VWQOLDDVIGFKNH-MRVPVSSYSA-N 0 3 224.308 0.973 20 0 BCADHN COC(=O)c1nccc(NCCN(C)C)n1 ZINC000085446880 344534312 /nfs/dbraw/zinc/53/43/12/344534312.db2.gz ZGEMFZYIHMAUTE-UHFFFAOYSA-N 0 3 224.264 0.237 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H]1CC[C@H]1O)N(C)C ZINC000425051688 192072508 /nfs/dbraw/zinc/07/25/08/192072508.db2.gz RCDQEBYBGHDTEM-OPRDCNLKSA-N 0 3 214.309 0.212 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)CC(=O)NC(C)C ZINC000037801327 344589608 /nfs/dbraw/zinc/58/96/08/344589608.db2.gz UHBZZTXKGLAGHW-JTQLQIEISA-N 0 3 243.351 0.343 20 0 BCADHN CN(C)Cc1ccccc1NC(=O)CC(N)=O ZINC000570895976 323073624 /nfs/dbraw/zinc/07/36/24/323073624.db2.gz KTUDEHURMYIQPX-UHFFFAOYSA-N 0 3 235.287 0.562 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)CCCC(=O)OC ZINC000037813233 344591679 /nfs/dbraw/zinc/59/16/79/344591679.db2.gz ZWRSCDIFNMRRBU-LBPRGKRZSA-N 0 3 244.335 0.916 20 0 BCADHN CN(Cc1nccn1C)C(=O)[C@H]1CCCCN1 ZINC000037822966 344592802 /nfs/dbraw/zinc/59/28/02/344592802.db2.gz BNBSGFNWDWWOLR-SNVBAGLBSA-N 0 3 236.319 0.521 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C(=O)[C@H]1CCCCN1 ZINC000037823435 344593334 /nfs/dbraw/zinc/59/33/34/344593334.db2.gz PZLXSAUXTRQNPH-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)[C@@H](N)C(C)C ZINC000037823449 344593346 /nfs/dbraw/zinc/59/33/46/344593346.db2.gz ABDNFJDHDMEIFI-BDAKNGLRSA-N 0 3 230.308 0.237 20 0 BCADHN CCOC[C@@H]1CN(C[C@H]2CCCN2C)CCO1 ZINC000625954034 344595359 /nfs/dbraw/zinc/59/53/59/344595359.db2.gz XWDBZQLYPZYBJH-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC(CO)CC1 ZINC000046090690 344577164 /nfs/dbraw/zinc/57/71/64/344577164.db2.gz LGPRJOFMUHHKJX-VIFPVBQESA-N 0 3 214.309 0.167 20 0 BCADHN CC(C(=O)N1CCCCCC1)S(C)(=O)=O ZINC000046138602 344578844 /nfs/dbraw/zinc/57/88/44/344578844.db2.gz QGEQCWISYAFSNC-VIFPVBQESA-N 0 3 233.333 0.822 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)C(C)(C)O)[C@@H]2C1 ZINC000425067529 192072845 /nfs/dbraw/zinc/07/28/45/192072845.db2.gz RRHIVRKVRJSGOC-VHSXEESVSA-N 0 3 226.320 0.310 20 0 BCADHN CNC(=O)CCN1CCC(C(=O)OC)CC1 ZINC000047848268 344581891 /nfs/dbraw/zinc/58/18/91/344581891.db2.gz CABAXHWPGAOBSS-UHFFFAOYSA-N 0 3 228.292 0.008 20 0 BCADHN CCC[C@@H]1C[C@H]1NC(=O)C(=O)N(C)[C@H](C)CN ZINC000418815756 192072990 /nfs/dbraw/zinc/07/29/90/192072990.db2.gz JMGGTNRMZDNMOF-OPRDCNLKSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)(C[NH3+])[N-]S(=O)(=O)c1cscn1 ZINC000516769174 259378151 /nfs/dbraw/zinc/37/81/51/259378151.db2.gz SVNXEXBGYXFIGB-UHFFFAOYSA-N 0 3 235.334 0.159 20 0 BCADHN CSCC[C@@H](N)C(=O)N(C)C[C@H]1CCCO1 ZINC000152676958 344655703 /nfs/dbraw/zinc/65/57/03/344655703.db2.gz OBFHXTXJZJEZRV-NXEZZACHSA-N 0 3 246.376 0.704 20 0 BCADHN CCCNC(=O)CN[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000625973551 344640164 /nfs/dbraw/zinc/64/01/64/344640164.db2.gz CMYKHDMSACPCMX-WYFGTUCQSA-N 0 3 228.336 0.914 20 0 BCADHN CC(C)N(C)C(=O)CN1CCC[C@H]1CO ZINC000050114158 344721130 /nfs/dbraw/zinc/72/11/30/344721130.db2.gz AKFKVCGQKTUTMR-JTQLQIEISA-N 0 3 214.309 0.310 20 0 BCADHN CC[C@H](C)CN1CCO[C@H](CC(N)=O)C1 ZINC000626077690 344722620 /nfs/dbraw/zinc/72/26/20/344722620.db2.gz PBBWSZDQZJOYHZ-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN CC(C)(C)CCN1CCO[C@H](CC(N)=O)C1 ZINC000626076378 344723278 /nfs/dbraw/zinc/72/32/78/344723278.db2.gz LCYNEZGDZJTVCT-SNVBAGLBSA-N 0 3 228.336 0.999 20 0 BCADHN NC(=O)C[C@H]1CN(CC2CCC2)CCO1 ZINC000626076651 344723315 /nfs/dbraw/zinc/72/33/15/344723315.db2.gz RRBHILMEAPIYQO-JTQLQIEISA-N 0 3 212.293 0.363 20 0 BCADHN CCC1(N2CCOCC2)CCN(CCO)CC1 ZINC000626088343 344731727 /nfs/dbraw/zinc/73/17/27/344731727.db2.gz UXUGLHRJBOXLPJ-UHFFFAOYSA-N 0 3 242.363 0.556 20 0 BCADHN Cc1occc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000153029477 344735486 /nfs/dbraw/zinc/73/54/86/344735486.db2.gz GODOKGZZLFZDPX-GFCCVEGCSA-N 0 3 240.303 0.630 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)C[C@@H]1C=CCC1 ZINC000153030216 344735858 /nfs/dbraw/zinc/73/58/58/344735858.db2.gz KQTQDBNLJRWQDW-DGCLKSJQSA-N 0 3 240.347 0.772 20 0 BCADHN O[C@H](CC1CCCC1)CN1CCOC[C@H](O)C1 ZINC000399984543 344747090 /nfs/dbraw/zinc/74/70/90/344747090.db2.gz QESYRENWTCHUTR-CHWSQXEVSA-N 0 3 243.347 0.621 20 0 BCADHN O[C@@H](CC1CCCC1)CN1CCOC[C@@H](O)C1 ZINC000399984549 344747149 /nfs/dbraw/zinc/74/71/49/344747149.db2.gz QESYRENWTCHUTR-STQMWFEESA-N 0 3 243.347 0.621 20 0 BCADHN C[C@H]1CN(CC2(O)CCOCC2)C[C@H](C)O1 ZINC000152738448 344685486 /nfs/dbraw/zinc/68/54/86/344685486.db2.gz OSYQOBCHQSDLJX-QWRGUYRKSA-N 0 3 229.320 0.637 20 0 BCADHN CN(Cc1cn[nH]c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038916 344688365 /nfs/dbraw/zinc/68/83/65/344688365.db2.gz HZQPBSRGAQUMID-DTORHVGOSA-N 0 3 208.265 0.105 20 0 BCADHN CN(C)C(=O)CN1CCCC[C@H]1CCO ZINC000049801337 344691618 /nfs/dbraw/zinc/69/16/18/344691618.db2.gz OYUWBEUIEZMLLH-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN CN(C[C@H]1C[C@@H](O)C1)[C@@H]1CCCN(C)C1=O ZINC000626045860 344695601 /nfs/dbraw/zinc/69/56/01/344695601.db2.gz FFFRPLIRVMIZEN-OUAUKWLOSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)C1)N1CCCC1 ZINC000582123956 344700935 /nfs/dbraw/zinc/70/09/35/344700935.db2.gz OIERKZONROZRFN-QWRGUYRKSA-N 0 3 238.331 0.956 20 0 BCADHN FCCCN1CCN(Cc2nc[nH]n2)CC1 ZINC000626069887 344714537 /nfs/dbraw/zinc/71/45/37/344714537.db2.gz PROJKOBQQVXUGX-UHFFFAOYSA-N 0 3 227.287 0.282 20 0 BCADHN FCCCN1CCN(Cc2nnc[nH]2)CC1 ZINC000626069887 344714540 /nfs/dbraw/zinc/71/45/40/344714540.db2.gz PROJKOBQQVXUGX-UHFFFAOYSA-N 0 3 227.287 0.282 20 0 BCADHN CN(C[C@H]1CCOC1)C[C@H]1CN(C)C(=O)O1 ZINC000497183053 259379727 /nfs/dbraw/zinc/37/97/27/259379727.db2.gz BMKJDILLGXVNTJ-ZJUUUORDSA-N 0 3 228.292 0.405 20 0 BCADHN CCOCCN(CC)CCC(=O)OC ZINC000050053522 344717421 /nfs/dbraw/zinc/71/74/21/344717421.db2.gz BXJKDWQVLJNDQQ-UHFFFAOYSA-N 0 3 203.282 0.908 20 0 BCADHN CC[C@H]1C[C@@H](C)CN1CC(=O)NC(=O)NC ZINC000075023063 344763115 /nfs/dbraw/zinc/76/31/15/344763115.db2.gz FKFNCKMKULBPKH-BDAKNGLRSA-N 0 3 227.308 0.562 20 0 BCADHN CC[C@@H](O)CN1CCCC[C@@H]1C(N)=O ZINC000075620075 344781162 /nfs/dbraw/zinc/78/11/62/344781162.db2.gz XMHAXPWRSRAFMA-RKDXNWHRSA-N 0 3 200.282 0.097 20 0 BCADHN CN1CCC[C@@H](CNC(=O)C=Cc2c[nH]cn2)C1 ZINC000492812987 530054950 /nfs/dbraw/zinc/05/49/50/530054950.db2.gz OEIHGVQKGLSAEX-ZWNMCFTASA-N 0 3 248.330 0.881 20 0 BCADHN C[C@H]1CCCN1C(=O)CCN1CCC(O)CC1 ZINC000075621104 344781451 /nfs/dbraw/zinc/78/14/51/344781451.db2.gz BHSBWMQZGQPUAN-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)OC1CCOCC1 ZINC000496824494 530057719 /nfs/dbraw/zinc/05/77/19/530057719.db2.gz ZPZFMSUNXVVGAQ-SNVBAGLBSA-N 0 3 242.319 0.986 20 0 BCADHN CN1CCC[C@H]1CNC(=O)C=Cc1c[nH]cn1 ZINC000492812720 530063088 /nfs/dbraw/zinc/06/30/88/530063088.db2.gz NMUPJANNMOIMGZ-WYGGZMRJSA-N 0 3 234.303 0.633 20 0 BCADHN COCCN(C)CCC(=O)OC(C)C ZINC000075643846 344782196 /nfs/dbraw/zinc/78/21/96/344782196.db2.gz GLFNPKGDAQXDMV-UHFFFAOYSA-N 0 3 203.282 0.906 20 0 BCADHN COCCCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000075665466 344783308 /nfs/dbraw/zinc/78/33/08/344783308.db2.gz LJRVEOUPVLTPEI-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN COCCCNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000075665467 344783459 /nfs/dbraw/zinc/78/34/59/344783459.db2.gz LJRVEOUPVLTPEI-SNVBAGLBSA-N 0 3 243.351 0.805 20 0 BCADHN COCCNCCNC(=O)CC(C)C ZINC000212703743 347074235 /nfs/dbraw/zinc/07/42/35/347074235.db2.gz HDMKJDGABSOMMF-UHFFFAOYSA-N 0 3 202.298 0.385 20 0 BCADHN CCC1(O)CCN(CCOCCO)CC1 ZINC000075858892 344785492 /nfs/dbraw/zinc/78/54/92/344785492.db2.gz UNXWBXBXLNSFQU-UHFFFAOYSA-N 0 3 217.309 0.232 20 0 BCADHN CC[C@@H](O)CN1CCN([C@H](CC)CO)CC1 ZINC000075956405 344789133 /nfs/dbraw/zinc/78/91/33/344789133.db2.gz ZYGFOZZLFCAGHW-VXGBXAGGSA-N 0 3 230.352 0.146 20 0 BCADHN CC[C@H](CO)N1CCN(Cc2ccncc2)CC1 ZINC000075963683 344789312 /nfs/dbraw/zinc/78/93/12/344789312.db2.gz DXUUVEXKDDAUQH-CQSZACIVSA-N 0 3 249.358 0.970 20 0 BCADHN CCC1(NCc2cnnn2C)CCOCC1 ZINC000310029568 168495701 /nfs/dbraw/zinc/49/57/01/168495701.db2.gz QQPGUGNPSLMZFK-UHFFFAOYSA-N 0 3 224.308 0.864 20 0 BCADHN CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](C)C1 ZINC000076111852 344795726 /nfs/dbraw/zinc/79/57/26/344795726.db2.gz FGEJBLBCUIOFSW-HTQZYQBOSA-N 0 3 213.281 0.030 20 0 BCADHN COCCCNC(=O)CN1C[C@@H](C)[C@H](C)C1 ZINC000076112661 344796128 /nfs/dbraw/zinc/79/61/28/344796128.db2.gz QFJUJDINUAFTGA-GHMZBOCLSA-N 0 3 228.336 0.727 20 0 BCADHN COC(=O)CCNC(=O)CN1C[C@H](C)[C@@H](C)C1 ZINC000076112031 344796191 /nfs/dbraw/zinc/79/61/91/344796191.db2.gz RFNKATHXKMKWQL-UWVGGRQHSA-N 0 3 242.319 0.254 20 0 BCADHN C[C@H]1CCCN1CCn1nc2ccccn2c1=O ZINC000076114562 344796812 /nfs/dbraw/zinc/79/68/12/344796812.db2.gz IALGREPDWQMWMR-NSHDSACASA-N 0 3 246.314 0.980 20 0 BCADHN CC(C)C(=O)NC1CCN(CCCO)CC1 ZINC000076652511 344805262 /nfs/dbraw/zinc/80/52/62/344805262.db2.gz FXXJJKZRWJLSHA-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN Cc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2)nc1 ZINC000261528961 178744991 /nfs/dbraw/zinc/74/49/91/178744991.db2.gz XZSGRUZMGABRHQ-BDAKNGLRSA-N 0 3 221.260 0.051 20 0 BCADHN CN(C)C(=O)CN[C@](C)(CO)C1CCCCC1 ZINC000077656104 344825216 /nfs/dbraw/zinc/82/52/16/344825216.db2.gz AASZDWYAYDEQOD-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN CCNC(=O)CN1CCC[C@H](C)[C@H]1CO ZINC000408471727 344832010 /nfs/dbraw/zinc/83/20/10/344832010.db2.gz ZQECJCPFPVAPJJ-VHSXEESVSA-N 0 3 214.309 0.215 20 0 BCADHN CC(=O)Nc1ccc(CN[C@H](C)[C@@H](C)O)cn1 ZINC000583376815 344850817 /nfs/dbraw/zinc/85/08/17/344850817.db2.gz HGMDXSMFXDLURJ-RKDXNWHRSA-N 0 3 237.303 0.899 20 0 BCADHN CC(=O)Nc1ccc(CN[C@@H](C)[C@H](C)O)cn1 ZINC000583376814 344850853 /nfs/dbraw/zinc/85/08/53/344850853.db2.gz HGMDXSMFXDLURJ-IUCAKERBSA-N 0 3 237.303 0.899 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1CC=CCC1 ZINC000153282997 344844853 /nfs/dbraw/zinc/84/48/53/344844853.db2.gz BQIFHICIXCSRLN-YPMHNXCESA-N 0 3 240.347 0.772 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1CC=CCC1 ZINC000153282908 344844991 /nfs/dbraw/zinc/84/49/91/344844991.db2.gz BQIFHICIXCSRLN-DGCLKSJQSA-N 0 3 240.347 0.772 20 0 BCADHN COC[C@@H](C)NC(=O)NC1CCN(C)CC1 ZINC000078429489 344868087 /nfs/dbraw/zinc/86/80/87/344868087.db2.gz VXRKMKMXKWHCMA-SECBINFHSA-N 0 3 229.324 0.415 20 0 BCADHN Cc1ccoc1C(=O)NC[C@](C)(O)CN(C)C ZINC000153402300 344868959 /nfs/dbraw/zinc/86/89/59/344868959.db2.gz SDAQUELRDONTAT-LBPRGKRZSA-N 0 3 240.303 0.630 20 0 BCADHN Cn1nc2c(c1CNCCC(N)=O)CCCC2 ZINC000563009503 323079674 /nfs/dbraw/zinc/07/96/74/323079674.db2.gz AUZLJUIIZCVZHR-UHFFFAOYSA-N 0 3 236.319 0.264 20 0 BCADHN CC(C)CC[C@H](O)CN[C@@H]1CC(=O)N(C)C1 ZINC000574565575 344910291 /nfs/dbraw/zinc/91/02/91/344910291.db2.gz WROMCUJLMMBXFR-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1CN(C(=O)c2cncn2C)[C@@H](C)CN1 ZINC000235321621 344886457 /nfs/dbraw/zinc/88/64/57/344886457.db2.gz CTYNVBGDHZMXCS-BDAKNGLRSA-N 0 3 222.292 0.243 20 0 BCADHN CC(C)CN1CCc2nn(C)c(=O)cc2C1 ZINC000078622502 344891646 /nfs/dbraw/zinc/89/16/46/344891646.db2.gz MPTPCWYPSBSRDI-UHFFFAOYSA-N 0 3 221.304 0.794 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CC[C@H](O)[C@H](C)C1 ZINC000166432853 344895857 /nfs/dbraw/zinc/89/58/57/344895857.db2.gz PQDHUEMPBDLCFL-VWYCJHECSA-N 0 3 245.319 0.003 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000408246845 344896912 /nfs/dbraw/zinc/89/69/12/344896912.db2.gz PQHNKPRUGDUIHV-ONGXEEELSA-N 0 3 241.335 0.064 20 0 BCADHN OCCCN(CCO)C[C@@H](O)CC1CCCC1 ZINC000354892316 192081218 /nfs/dbraw/zinc/08/12/18/192081218.db2.gz MLWGKITYCQZRMC-ZDUSSCGKSA-N 0 3 245.363 0.604 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC(C)(F)C1 ZINC000673186363 488278793 /nfs/dbraw/zinc/27/87/93/488278793.db2.gz HZZZURXGVXDKGJ-QMMMGPOBSA-N 0 3 217.288 0.690 20 0 BCADHN CC(C)NC(=O)CCNC1CSC1 ZINC000388656567 537873354 /nfs/dbraw/zinc/87/33/54/537873354.db2.gz UCTVSKXVAKKYEZ-UHFFFAOYSA-N 0 3 202.323 0.606 20 0 BCADHN CN[C@@H](C)C(=O)Nc1nnc(C)s1 ZINC000135904541 344929630 /nfs/dbraw/zinc/92/96/30/344929630.db2.gz JQRHDMCNCJMOEK-BYPYZUCNSA-N 0 3 200.267 0.393 20 0 BCADHN CCN1CCCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000153628321 344930683 /nfs/dbraw/zinc/93/06/83/344930683.db2.gz JSSFNHWDSLKSPG-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN C[C@@H](CNS(N)(=O)=O)N1CCCC[C@@H]1C ZINC000079030898 344933760 /nfs/dbraw/zinc/93/37/60/344933760.db2.gz DGLYAYDNHMZTHN-IUCAKERBSA-N 0 3 235.353 0.042 20 0 BCADHN CC(C)[C@H](C(=O)NCCCO)N(C)C ZINC000121780616 187295865 /nfs/dbraw/zinc/29/58/65/187295865.db2.gz CESCJPBZMKCZMB-SECBINFHSA-N 0 3 202.298 0.071 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)NCCO)C1 ZINC000079038857 344934492 /nfs/dbraw/zinc/93/44/92/344934492.db2.gz CLNATDCNYBWVBQ-SNVBAGLBSA-N 0 3 229.324 0.010 20 0 BCADHN CC(C)C[C@@H](CN(C)C)NC(=O)NCCCO ZINC000079070204 344935678 /nfs/dbraw/zinc/93/56/78/344935678.db2.gz GYYLOHIVLOIQAS-NSHDSACASA-N 0 3 245.367 0.644 20 0 BCADHN CNC(=O)N[C@@H]1CCN(CCC(C)(C)O)C1 ZINC000408258053 344952196 /nfs/dbraw/zinc/95/21/96/344952196.db2.gz UNNGQCPWKOHHEH-SECBINFHSA-N 0 3 229.324 0.151 20 0 BCADHN COCCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000153693855 344954389 /nfs/dbraw/zinc/95/43/89/344954389.db2.gz UYFABMVGRVJBAP-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN O=C1CCCN1CCN1CC[C@@]2(CCOC2)C1 ZINC000153783092 344972954 /nfs/dbraw/zinc/97/29/54/344972954.db2.gz ZIJYUYBPBLKERL-CYBMUJFWSA-N 0 3 238.331 0.721 20 0 BCADHN Cc1nocc1C(=O)NCCOCCN(C)C ZINC000632317580 344943132 /nfs/dbraw/zinc/94/31/32/344943132.db2.gz WTJJBHITEGNSNY-UHFFFAOYSA-N 0 3 241.291 0.291 20 0 BCADHN CC(=O)Nc1ccc(CN[C@@H](C)CC(N)=O)cc1 ZINC000131202434 187297560 /nfs/dbraw/zinc/29/75/60/187297560.db2.gz RYNVEAQMPTYOFZ-VIFPVBQESA-N 0 3 249.314 0.999 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2cnnc(C)c2)C1 ZINC000408257206 344951865 /nfs/dbraw/zinc/95/18/65/344951865.db2.gz OQTRTDHUEKSKQG-LBPRGKRZSA-N 0 3 248.330 0.999 20 0 BCADHN CN(C)CCN(CCO)Cc1ccccn1 ZINC000583449015 344995034 /nfs/dbraw/zinc/99/50/34/344995034.db2.gz YUGQWSTXIAHJRP-UHFFFAOYSA-N 0 3 223.320 0.438 20 0 BCADHN CO[C@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000154280225 345023529 /nfs/dbraw/zinc/02/35/29/345023529.db2.gz FUGKIOOYKBFXPH-QMMMGPOBSA-N 0 3 200.282 0.361 20 0 BCADHN CCn1cc([C@@H](C)NC[C@@H](O)CN(C)C)cn1 ZINC000154325283 345024686 /nfs/dbraw/zinc/02/46/86/345024686.db2.gz CGECPWLVMJIFPB-ZYHUDNBSSA-N 0 3 240.351 0.476 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC000154328951 345025599 /nfs/dbraw/zinc/02/55/99/345025599.db2.gz MRLTWQGRWQZUFB-QWRGUYRKSA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@]2(CCOC2)C1)N(C)C ZINC000154445465 345037429 /nfs/dbraw/zinc/03/74/29/345037429.db2.gz CYHKXPAIRZYLIY-AAEUAGOBSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@]2(CCOC2)C1)N(C)C ZINC000154445793 345037516 /nfs/dbraw/zinc/03/75/16/345037516.db2.gz CYHKXPAIRZYLIY-DGCLKSJQSA-N 0 3 240.347 0.966 20 0 BCADHN CCOCCNC(=O)CN1CCC[C@@H]1C ZINC000155164925 345069754 /nfs/dbraw/zinc/06/97/54/345069754.db2.gz KBMJYGLWPXWRKT-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN Cc1cncnc1N1C[C@H]2CCN(C)[C@H]2C1 ZINC000641620272 362552081 /nfs/dbraw/zinc/55/20/81/362552081.db2.gz QYMCTOYVHYOLIN-MNOVXSKESA-N 0 3 218.304 0.925 20 0 BCADHN CN(C[C@H]1CCOC1)C[C@@H]1CN(C)C(=O)O1 ZINC000497183050 323083173 /nfs/dbraw/zinc/08/31/73/323083173.db2.gz BMKJDILLGXVNTJ-NXEZZACHSA-N 0 3 228.292 0.405 20 0 BCADHN CCN1CCC(NC(=O)N[C@H](C)CCO)CC1 ZINC000155370496 345079223 /nfs/dbraw/zinc/07/92/23/345079223.db2.gz QEVXQLLGMUXMRA-SNVBAGLBSA-N 0 3 243.351 0.541 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCC[C@H](O)C(C)C ZINC000155480188 345083307 /nfs/dbraw/zinc/08/33/07/345083307.db2.gz UCIPQUUOKMLACD-DCAQKATOSA-N 0 3 230.352 0.883 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000155486071 345083725 /nfs/dbraw/zinc/08/37/25/345083725.db2.gz GSWUOJLVJTXXIA-MXWKQRLJSA-N 0 3 226.320 0.764 20 0 BCADHN CCCNC(=O)CCC(=O)NC[C@H](C)N(C)C ZINC000069154743 362538226 /nfs/dbraw/zinc/53/82/26/362538226.db2.gz QYHRAKLPENSMFW-JTQLQIEISA-N 0 3 243.351 0.359 20 0 BCADHN CCCNC(=O)CCC(=O)NCCN(C)CC ZINC000069156301 362539155 /nfs/dbraw/zinc/53/91/55/362539155.db2.gz YVDCAXHCGDGZHQ-UHFFFAOYSA-N 0 3 243.351 0.361 20 0 BCADHN COCCN(C)CCNC(=O)/C=C/C1CC1 ZINC000079939661 345061913 /nfs/dbraw/zinc/06/19/13/345061913.db2.gz TWNYTGGMFYFRAZ-AATRIKPKSA-N 0 3 226.320 0.647 20 0 BCADHN COCCNC(=O)[C@@H](C(C)C)N(C)C ZINC000155088605 345066508 /nfs/dbraw/zinc/06/65/08/345066508.db2.gz PPTOROITRAWMHU-SECBINFHSA-N 0 3 202.298 0.335 20 0 BCADHN CNC(=O)CNC(=O)c1cccc(CN(C)C)c1 ZINC000155519042 345088839 /nfs/dbraw/zinc/08/88/39/345088839.db2.gz GZAVAGLSUCYFRX-UHFFFAOYSA-N 0 3 249.314 0.224 20 0 BCADHN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC000155748142 345100915 /nfs/dbraw/zinc/10/09/15/345100915.db2.gz YPCZLKABAGVTCR-UWVGGRQHSA-N 0 3 241.335 0.193 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000080157523 345109119 /nfs/dbraw/zinc/10/91/19/345109119.db2.gz KDHQTXTUKVMPKP-WDEREUQCSA-N 0 3 226.320 0.622 20 0 BCADHN OCCCN1CCC[C@@H](NCc2ccon2)C1 ZINC000634982906 345164030 /nfs/dbraw/zinc/16/40/30/345164030.db2.gz ZCCINTGGNUBUDB-GFCCVEGCSA-N 0 3 239.319 0.611 20 0 BCADHN O[C@@H]1COC[C@H]1NCc1ccc2nccnc2c1 ZINC000634983678 345166940 /nfs/dbraw/zinc/16/69/40/345166940.db2.gz WAEFLIWQTQETMP-CHWSQXEVSA-N 0 3 245.282 0.479 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)c3cc[nH]n3)[C@@H]2C1 ZINC000579824927 345173999 /nfs/dbraw/zinc/17/39/99/345173999.db2.gz AENXIVXBFFOIHC-GXSJLCMTSA-N 0 3 234.303 0.576 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)c3ccn[nH]3)[C@@H]2C1 ZINC000579824927 345174000 /nfs/dbraw/zinc/17/40/00/345174000.db2.gz AENXIVXBFFOIHC-GXSJLCMTSA-N 0 3 234.303 0.576 20 0 BCADHN COCCN(CC1CC1)[C@@H](C)C(N)=O ZINC000156249762 345138565 /nfs/dbraw/zinc/13/85/65/345138565.db2.gz DDMHVCCAKGCOPC-QMMMGPOBSA-N 0 3 200.282 0.219 20 0 BCADHN Cc1ccn(CC(=O)NC[C@H](C)N(C)C)n1 ZINC000080354086 345150791 /nfs/dbraw/zinc/15/07/91/345150791.db2.gz FENIOQPLHXQWCQ-JTQLQIEISA-N 0 3 224.308 0.258 20 0 BCADHN CCO[C@H]1C[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000561768362 345229264 /nfs/dbraw/zinc/22/92/64/345229264.db2.gz LMISGIKELAEKHT-GUBZILKMSA-N 0 3 214.309 0.478 20 0 BCADHN Cc1cc(C2(C(=O)NCCN(C)C)CC2)on1 ZINC000635070848 345239319 /nfs/dbraw/zinc/23/93/19/345239319.db2.gz XGMVSKUMVOTTJZ-UHFFFAOYSA-N 0 3 237.303 0.692 20 0 BCADHN C[C@H](C(=O)N1CCCN(C)CC1)N(C)C ZINC000635077393 345241514 /nfs/dbraw/zinc/24/15/14/345241514.db2.gz JOPFOSMVZPMGFN-SNVBAGLBSA-N 0 3 213.325 0.101 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1N[C@H]1CCCS(=O)(=O)C1 ZINC000245934227 345245611 /nfs/dbraw/zinc/24/56/11/345245611.db2.gz IRZINYQGZULXRN-LPEHRKFASA-N 0 3 247.360 0.313 20 0 BCADHN O=C(/C=C\c1ccccc1)NC[C@@H]1CNCCO1 ZINC000331362909 345250881 /nfs/dbraw/zinc/25/08/81/345250881.db2.gz DZQVGXFNXYVCFC-FWWRYZNZSA-N 0 3 246.310 0.804 20 0 BCADHN CN1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC000600964991 345196398 /nfs/dbraw/zinc/19/63/98/345196398.db2.gz BUXIDIJNOXTXKF-NEPJUHHUSA-N 0 3 239.363 0.681 20 0 BCADHN CCN(Cc1ccccn1)C(=O)[C@H](CN)OC ZINC000227391836 345254747 /nfs/dbraw/zinc/25/47/47/345254747.db2.gz SOWAXGWOGDJMNV-NSHDSACASA-N 0 3 237.303 0.404 20 0 BCADHN CCN1C[C@@H](C)N(Cc2nnn(C)n2)[C@H](C)C1 ZINC000408466784 345315225 /nfs/dbraw/zinc/31/52/25/345315225.db2.gz MCNVNYSCSGBHLW-NXEZZACHSA-N 0 3 238.339 0.125 20 0 BCADHN CC[C@@H](N)C(=O)NCCC(=O)NC(C)(C)C ZINC000158304790 345319157 /nfs/dbraw/zinc/31/91/57/345319157.db2.gz GEURCZNYFHZMKR-MRVPVSSYSA-N 0 3 229.324 0.145 20 0 BCADHN CN(CC(=O)NCCCO)CC(C)(C)C ZINC000635248197 345284802 /nfs/dbraw/zinc/28/48/02/345284802.db2.gz IMYPPNFNRGMLLW-UHFFFAOYSA-N 0 3 216.325 0.463 20 0 BCADHN CCSCC[C@H](C)NC(=O)CNCCOC ZINC000158315442 345322636 /nfs/dbraw/zinc/32/26/36/345322636.db2.gz LWZLJFDSRWPVEK-JTQLQIEISA-N 0 3 248.392 0.870 20 0 BCADHN C[C@H](C(=O)NCCN1CCCC[C@H]1C)N(C)C ZINC000635310826 345302289 /nfs/dbraw/zinc/30/22/89/345302289.db2.gz LXOWVDAJGQIWSH-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000575300246 345306038 /nfs/dbraw/zinc/30/60/38/345306038.db2.gz HQXRMMDZHIITDF-VHSXEESVSA-N 0 3 238.291 0.047 20 0 BCADHN COCCNCC(=O)N1CC[C@@H](C(C)C)C1 ZINC000158483473 345338658 /nfs/dbraw/zinc/33/86/58/345338658.db2.gz SXVBJJHFTGGSES-LLVKDONJSA-N 0 3 228.336 0.727 20 0 BCADHN CC[C@H]1CCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000158494761 345340426 /nfs/dbraw/zinc/34/04/26/345340426.db2.gz LOBPHYSVGHBFRO-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCc1ncc[nH]1 ZINC000158547925 345344981 /nfs/dbraw/zinc/34/49/81/345344981.db2.gz HWQRFCVMWCHVQO-PSASIEDQSA-N 0 3 224.308 0.442 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H](N2CCCC2)C1)N(C)C ZINC000635480532 345388219 /nfs/dbraw/zinc/38/82/19/345388219.db2.gz XPFCZBLQLZMQGT-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN CC1(C)C[C@@H]1NC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000635406981 345350972 /nfs/dbraw/zinc/35/09/72/345350972.db2.gz POSLPIUCXJUEEY-VWYCJHECSA-N 0 3 238.331 0.764 20 0 BCADHN COCCN(C)CCNC(=O)c1[nH]cnc1C ZINC000635479253 345389099 /nfs/dbraw/zinc/38/90/99/345389099.db2.gz MARAQSQFBGQCDU-UHFFFAOYSA-N 0 3 240.307 0.026 20 0 BCADHN COCC[C@H](C)N1CCN2C(=O)NC[C@@H]2C1 ZINC000446782848 537895844 /nfs/dbraw/zinc/89/58/44/537895844.db2.gz ZLRGPGPLNTVTSM-VHSXEESVSA-N 0 3 227.308 0.121 20 0 BCADHN CCN1C[C@@H](C)N(Cc2nnnn2C)[C@H](C)C1 ZINC000408470482 345325858 /nfs/dbraw/zinc/32/58/58/345325858.db2.gz WECUQLKHLHNBOG-NXEZZACHSA-N 0 3 238.339 0.125 20 0 BCADHN COCCNCC(=O)N(C)[C@@H](C)CCSC ZINC000158423796 345332595 /nfs/dbraw/zinc/33/25/95/345332595.db2.gz OLZLJAGHFGJBFR-JTQLQIEISA-N 0 3 248.392 0.822 20 0 BCADHN C[C@H](C(=O)N[C@@H]1CCCN(C)C1)N(C)C ZINC000635508653 345404845 /nfs/dbraw/zinc/40/48/45/345404845.db2.gz XDYOVHVWKUALPO-NXEZZACHSA-N 0 3 213.325 0.147 20 0 BCADHN CC(C)NC(=O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000159076197 345405362 /nfs/dbraw/zinc/40/53/62/345405362.db2.gz IDRKHYUJOBQLDG-LLVKDONJSA-N 0 3 243.351 0.213 20 0 BCADHN CC(C)CC(=O)NCC1(O)CCN(C)CC1 ZINC000080882165 345453221 /nfs/dbraw/zinc/45/32/21/345453221.db2.gz QDGLJNOHNYADQI-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)CCC(=O)NCC1(O)CCN(C)CC1 ZINC000080880848 345453234 /nfs/dbraw/zinc/45/32/34/345453234.db2.gz ZIADOPMPNJLZLF-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H]1C[C@@H](C)O ZINC000159361650 345425168 /nfs/dbraw/zinc/42/51/68/345425168.db2.gz QNZPWXJCQPYHLP-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCOC2)CCN1C ZINC000159338972 345426245 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0.146 20 0 BCADHN O[C@H](CN1CC(CC2CC2)C1)Cn1cccn1 ZINC000621992290 370648744 /nfs/dbraw/zinc/64/87/44/370648744.db2.gz SJQLPOXFBGHBTI-CYBMUJFWSA-N 0 3 235.331 0.976 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000577176070 365859382 /nfs/dbraw/zinc/85/93/82/365859382.db2.gz MPKHXQXTJCPFKW-AXTSPUMRSA-N 0 3 212.293 0.407 20 0 BCADHN CN(C)[C@H]1CN(CC(F)(F)F)C[C@@H]1O ZINC000565176120 323134352 /nfs/dbraw/zinc/13/43/52/323134352.db2.gz ZVNPRNLBOWTRKW-BQBZGAKWSA-N 0 3 212.215 0.155 20 0 BCADHN CO[C@H](CC(C)C)CN1CCC[C@@H]1C(N)=O ZINC000419204950 192104346 /nfs/dbraw/zinc/10/43/46/192104346.db2.gz PHQJTOXJMZVRSV-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN CO[C@H](CC(C)C)CN1CCC[C@H]1C(N)=O ZINC000419204951 192104374 /nfs/dbraw/zinc/10/43/74/192104374.db2.gz PHQJTOXJMZVRSV-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN CCOCC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000617933707 346733832 /nfs/dbraw/zinc/73/38/32/346733832.db2.gz XEQFNVCTBYITDZ-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN 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/nfs/dbraw/zinc/08/62/03/348086203.db2.gz FMMUDZAKQPOLEV-JTQLQIEISA-N 0 3 235.287 0.889 20 0 BCADHN CCOC(=O)[C@H](C)n1cc([C@](C)(N)CC)nn1 ZINC000594653365 348091343 /nfs/dbraw/zinc/09/13/43/348091343.db2.gz WNTGGPYDXGHRFA-GZMMTYOYSA-N 0 3 240.307 0.986 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@H](C)C(=O)N(C)C ZINC000594933635 348140884 /nfs/dbraw/zinc/14/08/84/348140884.db2.gz AQHRXXMOCMUJIT-SGIHWFKDSA-N 0 3 242.319 0.250 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC1COCCOC1 ZINC000594943895 348144884 /nfs/dbraw/zinc/14/48/84/348144884.db2.gz LSVIWAVABBHNPK-JMJZKYOTSA-N 0 3 243.303 0.189 20 0 BCADHN CCN(C)C(=O)CN[C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594944094 348144993 /nfs/dbraw/zinc/14/49/93/348144993.db2.gz HKPPNFLUJWSJJW-UTLUCORTSA-N 0 3 242.319 0.252 20 0 BCADHN CS[C@@H](CO)[C@@H](C)NCc1cnc(C)n1C ZINC000594921157 348155027 /nfs/dbraw/zinc/15/50/27/348155027.db2.gz JDKUJIDVYMXCRP-KCJUWKMLSA-N 0 3 243.376 0.931 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)N[C@H]1CCCNC1=O ZINC000594922226 348155627 /nfs/dbraw/zinc/15/56/27/348155627.db2.gz FDZHGZFLRZHZRK-KYXWUPHJSA-N 0 3 240.303 0.052 20 0 BCADHN CCN1CC[C@@H](N(C)C[C@@H](C)C(=O)OC)C1=O ZINC000595297845 348216777 /nfs/dbraw/zinc/21/67/77/348216777.db2.gz PIGOZMIABWNECU-NXEZZACHSA-N 0 3 242.319 0.348 20 0 BCADHN COC[C@H](CN1CCC[C@H](C(=O)OC)C1)OC ZINC000595307681 348222974 /nfs/dbraw/zinc/22/29/74/348222974.db2.gz WTXZTKFWJPKXLC-QWRGUYRKSA-N 0 3 245.319 0.533 20 0 BCADHN C[C@H](CSCCF)N[C@@H]1COC[C@H]1O ZINC000595050023 348180562 /nfs/dbraw/zinc/18/05/62/348180562.db2.gz DYLOLHGHMJNMRP-IWSPIJDZSA-N 0 3 223.313 0.427 20 0 BCADHN CC[C@@H](O)CCNC(=O)NC[C@@H]1CCCN1C ZINC000119231445 348226075 /nfs/dbraw/zinc/22/60/75/348226075.db2.gz KIHDNGSBGQUMDF-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN COCCOCCN(CCCO)C1CC1 ZINC000404335535 490139818 /nfs/dbraw/zinc/13/98/18/490139818.db2.gz PNZZAGKNBSMKGA-UHFFFAOYSA-N 0 3 217.309 0.496 20 0 BCADHN COC(=O)[C@](C)(CCF)NC(=O)CNC(C)C ZINC000595258837 348205343 /nfs/dbraw/zinc/20/53/43/348205343.db2.gz XHMBQIULTTWZPN-NSHDSACASA-N 0 3 248.298 0.392 20 0 BCADHN CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)CNC ZINC000595259080 348205852 /nfs/dbraw/zinc/20/58/52/348205852.db2.gz HGSDSGBFPLKEEW-CABZTGNLSA-N 0 3 242.319 0.444 20 0 BCADHN CC[C@H](CN[C@]1(CC(=O)OC)CCOC1)OC ZINC000419236343 192112326 /nfs/dbraw/zinc/11/23/26/192112326.db2.gz FAIIEEHRXPRDTE-PWSUYJOCSA-N 0 3 245.319 0.723 20 0 BCADHN COC[C@@H](CN1CCC(C(=O)OC)CC1)OC ZINC000595287676 348212261 /nfs/dbraw/zinc/21/22/61/348212261.db2.gz UWIQPZBSRXWJCL-LLVKDONJSA-N 0 3 245.319 0.533 20 0 BCADHN Cc1cccnc1CNC(=O)C[C@H]1CNCCO1 ZINC000091312159 179379036 /nfs/dbraw/zinc/37/90/36/179379036.db2.gz DWCQHDQWEVVTLA-NSHDSACASA-N 0 3 249.314 0.385 20 0 BCADHN COC(=O)C1(O)CCN(CC2CC=CC2)CC1 ZINC000595407840 348240985 /nfs/dbraw/zinc/24/09/85/348240985.db2.gz HICAZLQDKFOBEJ-UHFFFAOYSA-N 0 3 239.315 0.953 20 0 BCADHN C[C@H]1C[C@H]1CN(C)CC(=O)N1CCNCC1 ZINC000082648666 348242108 /nfs/dbraw/zinc/24/21/08/348242108.db2.gz JDOJVJZCJLDTCU-QWRGUYRKSA-N 0 3 225.336 0.006 20 0 BCADHN CC[C@H](CN1CCN2CCOC[C@H]2C1)OC ZINC000419238867 192113512 /nfs/dbraw/zinc/11/35/12/192113512.db2.gz HSVINQQEVBUUEV-VXGBXAGGSA-N 0 3 228.336 0.428 20 0 BCADHN CN(CCOCC1CCC1)[C@@]1(CO)CCOC1 ZINC000419256946 192115314 /nfs/dbraw/zinc/11/53/14/192115314.db2.gz YCWFSCNPXKSYLC-CYBMUJFWSA-N 0 3 243.347 0.886 20 0 BCADHN CCC[C@@H](CC)NC(=O)C(=O)N[C@H](C)CN ZINC000419255479 192115545 /nfs/dbraw/zinc/11/55/45/192115545.db2.gz GPXCNHSUDSAOCG-RKDXNWHRSA-N 0 3 229.324 0.145 20 0 BCADHN OC[C@@]1(O)CCCN(CCOCC2CCC2)C1 ZINC000419291650 192118947 /nfs/dbraw/zinc/11/89/47/192118947.db2.gz WUHJNAARKDKDAD-CYBMUJFWSA-N 0 3 243.347 0.622 20 0 BCADHN CO[C@@H](CC(C)C)CN1C[C@@H](O)[C@@H](O)C1 ZINC000419303858 192119770 /nfs/dbraw/zinc/11/97/70/192119770.db2.gz INXYJLHSOJEFDA-GARJFASQSA-N 0 3 217.309 0.085 20 0 BCADHN O[C@@H](CNCC1(F)CC1)COCC1CC1 ZINC000308887249 323180767 /nfs/dbraw/zinc/18/07/67/323180767.db2.gz ULNQRNISVKJJGD-JTQLQIEISA-N 0 3 217.284 0.866 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H]1CCCOC1 ZINC000595662484 348300291 /nfs/dbraw/zinc/30/02/91/348300291.db2.gz NTGFHMIYHCFRCP-LPEHRKFASA-N 0 3 229.276 0.086 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@@H]1CCCOC1 ZINC000595662483 348300324 /nfs/dbraw/zinc/30/03/24/348300324.db2.gz NTGFHMIYHCFRCP-KXUCPTDWSA-N 0 3 229.276 0.086 20 0 BCADHN CSCCN1C[C@H](C)N(CCO)C[C@H]1C ZINC000419326859 192122238 /nfs/dbraw/zinc/12/22/38/192122238.db2.gz MUDDKOYWPCSZBG-WDEREUQCSA-N 0 3 232.393 0.736 20 0 BCADHN COC(=O)CCCN(C)C[C@@H]1COCCO1 ZINC000595735776 348318316 /nfs/dbraw/zinc/31/83/16/348318316.db2.gz CNQHSHZVXHNEEI-SNVBAGLBSA-N 0 3 231.292 0.287 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CC[C@H]2C[C@H]2C1 ZINC000595811049 348350738 /nfs/dbraw/zinc/35/07/38/348350738.db2.gz RYOHOXJOCVBQOS-JBLDHEPKSA-N 0 3 227.304 0.642 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@H]([C@H](C)O)C1 ZINC000535557960 323184444 /nfs/dbraw/zinc/18/44/44/323184444.db2.gz ICQYIKRROSJKQG-VWYCJHECSA-N 0 3 240.347 0.746 20 0 BCADHN COC(=O)[C@H](C1CC1)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000595756492 348330219 /nfs/dbraw/zinc/33/02/19/348330219.db2.gz GMJXRCCWUVNRIU-NTZNESFSSA-N 0 3 239.315 0.906 20 0 BCADHN CCOC(=O)COCCN1CC[C@@]2(O)C[C@H]2C1 ZINC000595756999 348331005 /nfs/dbraw/zinc/33/10/05/348331005.db2.gz JXHVYUVHSJQQBH-CMPLNLGQSA-N 0 3 243.303 0.023 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H]([C@@H](C)O)C1 ZINC000535560495 323184611 /nfs/dbraw/zinc/18/46/11/323184611.db2.gz VZRIHIMLKXJCOA-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN COC(=O)CCCN1CCC(=O)N(C)CC1 ZINC000595774194 348338195 /nfs/dbraw/zinc/33/81/95/348338195.db2.gz UQFOBSKUFIRELC-UHFFFAOYSA-N 0 3 228.292 0.104 20 0 BCADHN CC[NH2+]CCC[N-]S(=O)(=O)c1conc1C ZINC000631901706 362906284 /nfs/dbraw/zinc/90/62/84/362906284.db2.gz LWDFTYLPCFXUHG-UHFFFAOYSA-N 0 3 247.320 0.261 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCc1cnc[nH]1 ZINC000309098974 349985636 /nfs/dbraw/zinc/98/56/36/349985636.db2.gz DXPWKKWDBQCOMM-VXNVDRBHSA-N 0 3 208.265 0.024 20 0 BCADHN CC[C@@H](C)N(CC)C(=O)[C@H](N)CCC(=O)OC ZINC000595961487 348405511 /nfs/dbraw/zinc/40/55/11/348405511.db2.gz MBZQJDVOOQSEPY-NXEZZACHSA-N 0 3 244.335 0.914 20 0 BCADHN CC[C@@H](CN[C@@H]1COC[C@@H]1OC)OC ZINC000419286134 192123873 /nfs/dbraw/zinc/12/38/73/192123873.db2.gz QATCTSSZUSPGCD-AEJSXWLSSA-N 0 3 203.282 0.415 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595976284 348413771 /nfs/dbraw/zinc/41/37/71/348413771.db2.gz YVXUBYBNPSYVOD-QEYWKRMJSA-N 0 3 242.319 0.428 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC(=O)[C@H](N)C(C)C)C1 ZINC000595981428 348416641 /nfs/dbraw/zinc/41/66/41/348416641.db2.gz CRHFVMNOZDLRFX-IWSPIJDZSA-N 0 3 228.292 0.038 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)c1cccc2c1CNC2 ZINC000595926281 348391709 /nfs/dbraw/zinc/39/17/09/348391709.db2.gz HMLJBTWNRYZZCK-MRVPVSSYSA-N 0 3 248.282 0.581 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)C1(NC2CC2)CCC1 ZINC000595928671 348392305 /nfs/dbraw/zinc/39/23/05/348392305.db2.gz CWAKUYSYPHAELL-MRVPVSSYSA-N 0 3 240.303 0.339 20 0 BCADHN COC(=O)CNC(=O)C[C@H]1NCc2ccccc21 ZINC000595930042 348392378 /nfs/dbraw/zinc/39/23/78/348392378.db2.gz MPKCCIMAPLGALA-LLVKDONJSA-N 0 3 248.282 0.510 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CC2CC1(C)C2 ZINC000595917320 348400455 /nfs/dbraw/zinc/40/04/55/348400455.db2.gz YUAGZNJZTNPDJW-AFKSGGFBSA-N 0 3 211.265 0.054 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CCC[C@@H]1C(=O)OC ZINC000595917484 348400634 /nfs/dbraw/zinc/40/06/34/348400634.db2.gz PRKPOYMAJLXVJQ-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN CCCCN1CCC[C@H]1C(=O)NCC(=O)OC ZINC000419346964 192126236 /nfs/dbraw/zinc/12/62/36/192126236.db2.gz ORHNQOHSSASOFH-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN CCOC(=O)C[C@@H](C)CNC(=O)CNC(C)C ZINC000595956015 348404689 /nfs/dbraw/zinc/40/46/89/348404689.db2.gz GDPKJTKAPBUIQC-SNVBAGLBSA-N 0 3 244.335 0.690 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H](CO)[C@H]1C ZINC000395123395 323188114 /nfs/dbraw/zinc/18/81/14/323188114.db2.gz VLXITIMSQGPNEB-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC000334805696 133749706 /nfs/dbraw/zinc/74/97/06/133749706.db2.gz HYFMXIYAHQLBQT-JQWIXIFHSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H]1[C@@H](C)N(CCNS(C)(=O)=O)C[C@H]1C ZINC000419372657 192128922 /nfs/dbraw/zinc/12/89/22/192128922.db2.gz MSXWKZOSLFMFDY-OPRDCNLKSA-N 0 3 234.365 0.512 20 0 BCADHN CSC[C@@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000596099603 348445563 /nfs/dbraw/zinc/44/55/63/348445563.db2.gz TYSHVMCTHZIBRU-SECBINFHSA-N 0 3 244.360 0.186 20 0 BCADHN C[C@H](CN)N(C)C(=O)C(=O)NCC1(C)CCC1 ZINC000419527785 192140022 /nfs/dbraw/zinc/14/00/22/192140022.db2.gz GMKCPFIRZQOPRT-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN CCS(=O)(=O)N1CCC[C@@H](N(C)C)C1 ZINC000082717562 348491432 /nfs/dbraw/zinc/49/14/32/348491432.db2.gz HNCVMGJRCKJTHK-SECBINFHSA-N 0 3 220.338 0.362 20 0 BCADHN CCN(CCNC(=O)CCCCO)C1CC1 ZINC000221161808 490179740 /nfs/dbraw/zinc/17/97/40/490179740.db2.gz YBVLVYOWKGABPM-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCC(C)(C)C ZINC000419739622 192144328 /nfs/dbraw/zinc/14/43/28/192144328.db2.gz JSVWLCMWLINHMB-VIFPVBQESA-N 0 3 243.351 0.344 20 0 BCADHN C[C@@H](CN)N(C)C(=O)C(=O)NC1CCCCC1 ZINC000419722849 192144536 /nfs/dbraw/zinc/14/45/36/192144536.db2.gz NDUPHONWOMOLRG-VIFPVBQESA-N 0 3 241.335 0.241 20 0 BCADHN Cc1cc(CN[C@H](CO)[C@@H](C)O)ccc1F ZINC000419796308 192145254 /nfs/dbraw/zinc/14/52/54/192145254.db2.gz NSRHQBCMKYFIRY-BXKDBHETSA-N 0 3 227.279 0.965 20 0 BCADHN CC(C)[C@H](C)N(C(=O)C(=O)NCCN)C1CC1 ZINC000419810720 192145515 /nfs/dbraw/zinc/14/55/15/192145515.db2.gz BGDRKUOTZRPUPM-VIFPVBQESA-N 0 3 241.335 0.097 20 0 BCADHN CCOc1ccc(CN[C@H](CO)[C@@H](C)O)cc1 ZINC000419810598 192145695 /nfs/dbraw/zinc/14/56/95/192145695.db2.gz LNOSAKAKOONLSU-ZWNOBZJWSA-N 0 3 239.315 0.917 20 0 BCADHN O=C1NCCCC[C@H]1N[C@H]1CCCOC1 ZINC000069606534 490175215 /nfs/dbraw/zinc/17/52/15/490175215.db2.gz VNZMMKGGMMUXLR-VHSXEESVSA-N 0 3 212.293 0.424 20 0 BCADHN C=Cn1cc(CN[C@H](CO)[C@@H](O)CCC)cn1 ZINC000419803800 192146210 /nfs/dbraw/zinc/14/62/10/192146210.db2.gz CPEDADOCBDFGLI-NEPJUHHUSA-N 0 3 239.319 0.595 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1cccc2[nH]ccc21 ZINC000419817209 192146246 /nfs/dbraw/zinc/14/62/46/192146246.db2.gz RDPWXSVMPGCTIN-NOZJJQNGSA-N 0 3 234.299 0.999 20 0 BCADHN NCCNC(=O)C(=O)N1CC[C@@H]1c1ccccc1 ZINC000419821306 192146314 /nfs/dbraw/zinc/14/63/14/192146314.db2.gz UBZMKXFJLPVDCY-LLVKDONJSA-N 0 3 247.298 0.035 20 0 BCADHN CC1CCN(CCNC(=O)[C@H]2CCOC2)CC1 ZINC000066917062 348508513 /nfs/dbraw/zinc/50/85/13/348508513.db2.gz XVALOSWFDOWHIV-LBPRGKRZSA-N 0 3 240.347 0.871 20 0 BCADHN CC[C@@H](C(=O)NCCN(C)CC)[C@@H](C)O ZINC000419877533 192147221 /nfs/dbraw/zinc/14/72/21/192147221.db2.gz RBFSTSDYXCPYAT-NXEZZACHSA-N 0 3 216.325 0.461 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)N(C)C)[C@H](C)O ZINC000419882173 192148466 /nfs/dbraw/zinc/14/84/66/192148466.db2.gz LYXFWOKRPWAHQB-UTLUCORTSA-N 0 3 216.325 0.460 20 0 BCADHN CCN(CC)C(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000419961460 192149216 /nfs/dbraw/zinc/14/92/16/192149216.db2.gz SMMFKNJGMWZDAX-SNVBAGLBSA-N 0 3 243.351 0.344 20 0 BCADHN C[C@@H]1C[C@H]1CC(=O)NC[C@@](C)(O)CCN(C)C ZINC000420003510 192152527 /nfs/dbraw/zinc/15/25/27/192152527.db2.gz VBZVRXBLEXRTFZ-MDZLAQPJSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C ZINC000420018401 192153395 /nfs/dbraw/zinc/15/33/95/192153395.db2.gz YAFFEFYKRQIIOO-IVZWLZJFSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN)C1 ZINC000420019719 192153435 /nfs/dbraw/zinc/15/34/35/192153435.db2.gz RCKBHATYKASQJY-VHSXEESVSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N1C[C@H](C)CC[C@H]1C ZINC000420012311 192153644 /nfs/dbraw/zinc/15/36/44/192153644.db2.gz IWUYHRYRBNYQQL-OPRDCNLKSA-N 0 3 241.335 0.097 20 0 BCADHN Cn1nncc1CNCCC1(O)CCC1 ZINC000389879197 538007552 /nfs/dbraw/zinc/00/75/52/538007552.db2.gz NHLGWFYJCHJHGG-UHFFFAOYSA-N 0 3 210.281 0.210 20 0 BCADHN COCc1n[nH]c(CNCC2(SC)CC2)n1 ZINC000597191512 348670873 /nfs/dbraw/zinc/67/08/73/348670873.db2.gz LGNXLBZJCJPTSM-UHFFFAOYSA-N 0 3 242.348 0.936 20 0 BCADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCCC1 ZINC000420146339 192163275 /nfs/dbraw/zinc/16/32/75/192163275.db2.gz QJYRVSCIXDLQJP-JTQLQIEISA-N 0 3 241.335 0.243 20 0 BCADHN CCCCN(C)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420068727 192158986 /nfs/dbraw/zinc/15/89/86/192158986.db2.gz VBJVPZOWURGVDG-JTQLQIEISA-N 0 3 241.335 0.098 20 0 BCADHN OCCOCCNCc1cncs1 ZINC000054770383 348627411 /nfs/dbraw/zinc/62/74/11/348627411.db2.gz RJTLDKNFCLTPQC-UHFFFAOYSA-N 0 3 202.279 0.242 20 0 BCADHN CCNC(=O)CN[C@@H]1CCO[C@@H](C)C1 ZINC000069861736 490190277 /nfs/dbraw/zinc/19/02/77/490190277.db2.gz WSKVIVXYBGUWEP-DTWKUNHWSA-N 0 3 200.282 0.280 20 0 BCADHN CC[C@@H](C(=O)NCC1(N(C)C)CC1)[C@H](C)O ZINC000420158424 192164608 /nfs/dbraw/zinc/16/46/08/192164608.db2.gz HHHRNBMZQOCMQZ-VHSXEESVSA-N 0 3 228.336 0.604 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@@H]1CCCSC1 ZINC000597185357 348683116 /nfs/dbraw/zinc/68/31/16/348683116.db2.gz BJXIROMNUBLBNT-KXUCPTDWSA-N 0 3 245.344 0.802 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NCc1[nH]ncc1C ZINC000597188555 348685436 /nfs/dbraw/zinc/68/54/36/348685436.db2.gz XCMVQDQPIQZIBC-WCBMZHEXSA-N 0 3 239.275 0.138 20 0 BCADHN COC(=O)c1ccc(CN[C@H]2C[C@H](O)C2)[nH]1 ZINC000597244435 348688140 /nfs/dbraw/zinc/68/81/40/348688140.db2.gz AXFPARRWPWCNDJ-KYZUINATSA-N 0 3 224.260 0.414 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NCc2cnn(C)c2)C1 ZINC000597219146 348691080 /nfs/dbraw/zinc/69/10/80/348691080.db2.gz YXLSBVJLLPBCQW-AOOOYVTPSA-N 0 3 223.276 0.461 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NCc2c(C)cnn2C)C1 ZINC000597222879 348693708 /nfs/dbraw/zinc/69/37/08/348693708.db2.gz OSBNUQHTVIAOCB-AOOOYVTPSA-N 0 3 237.303 0.770 20 0 BCADHN COC(=O)c1ccc(CNC2([C@@H](C)O)CC2)[nH]1 ZINC000597233978 348700437 /nfs/dbraw/zinc/70/04/37/348700437.db2.gz DWNMDJLXMQOARU-MRVPVSSYSA-N 0 3 238.287 0.804 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1CCNCC1 ZINC000020521119 348710461 /nfs/dbraw/zinc/71/04/61/348710461.db2.gz AJCJUKHAFYNMKA-JTQLQIEISA-N 0 3 213.325 0.147 20 0 BCADHN OCCN1CCN(C[C@H]2CCCC[C@H]2O)CC1 ZINC000053881460 348749981 /nfs/dbraw/zinc/74/99/81/348749981.db2.gz KMTAITQVQBSHNM-CHWSQXEVSA-N 0 3 242.363 0.147 20 0 BCADHN CN[C@@H](C)C(=O)N(C)CC(=O)Nc1ccccc1 ZINC000054075119 348877199 /nfs/dbraw/zinc/87/71/99/348877199.db2.gz MNYKSTUUHLZSSO-JTQLQIEISA-N 0 3 249.314 0.691 20 0 BCADHN CCCCOCCNC(=O)[C@H](C)NC ZINC000054076050 348878107 /nfs/dbraw/zinc/87/81/07/348878107.db2.gz YKNQGAWSDYIPMG-VIFPVBQESA-N 0 3 202.298 0.527 20 0 BCADHN O=C(NCCN1CCCC1)[C@H]1CC12CC2 ZINC000421741454 192377298 /nfs/dbraw/zinc/37/72/98/192377298.db2.gz OUTISSPIZAGCHH-SNVBAGLBSA-N 0 3 208.305 0.999 20 0 BCADHN C[C@H](C[S@](C)=O)NC[C@](C)(O)C(F)(F)F ZINC000308865144 348979840 /nfs/dbraw/zinc/97/98/40/348979840.db2.gz WOSRECMTVCFKQD-NVZATHNXSA-N 0 3 247.282 0.656 20 0 BCADHN Cn1nccc1NC(=O)C1(N)CCCC1 ZINC000237679931 490214991 /nfs/dbraw/zinc/21/49/91/490214991.db2.gz ITTIWGSBGKRJAX-UHFFFAOYSA-N 0 3 208.265 0.630 20 0 BCADHN C[C@@H](C(=O)N1C[C@@H](C)NC[C@H]1C)N(C)C ZINC000237445832 490211218 /nfs/dbraw/zinc/21/12/18/490211218.db2.gz IXMMJYXEPXPYRM-BBBLOLIVSA-N 0 3 213.325 0.145 20 0 BCADHN CCOC(=O)CCN1CC[C@H](C)[C@@H](CO)C1 ZINC000598645889 349009153 /nfs/dbraw/zinc/00/91/53/349009153.db2.gz PCYZHNIHPNUVEN-WDEREUQCSA-N 0 3 229.320 0.890 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)OC ZINC000598637990 349014856 /nfs/dbraw/zinc/01/48/56/349014856.db2.gz MRSCASZXOACCCF-VHSXEESVSA-N 0 3 244.335 0.688 20 0 BCADHN COC[C@@](C)(O)CNCc1c[nH]nc1C ZINC000308900854 349056447 /nfs/dbraw/zinc/05/64/47/349056447.db2.gz BILXIBDZHXLGHG-JTQLQIEISA-N 0 3 213.281 0.205 20 0 BCADHN c1cnc(NC[C@H]2CN3CCC[C@@H]3CO2)nc1 ZINC000067447962 349035546 /nfs/dbraw/zinc/03/55/46/349035546.db2.gz MKNSLRUFGMWQKM-MNOVXSKESA-N 0 3 234.303 0.752 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H](C)CCN2)CO1 ZINC000401988804 349040192 /nfs/dbraw/zinc/04/01/92/349040192.db2.gz BZDSDYXQRYOBHE-YTWAJWBKSA-N 0 3 226.320 0.668 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCCCF ZINC000581626631 349070854 /nfs/dbraw/zinc/07/08/54/349070854.db2.gz AEZPRGUFBTZXNL-QMMMGPOBSA-N 0 3 205.277 0.595 20 0 BCADHN CSCC[C@@H](C)N(C)c1nc(N)nc(N)n1 ZINC000599053117 349083405 /nfs/dbraw/zinc/08/34/05/349083405.db2.gz DJRWUIPFKWAMBK-ZCFIWIBFSA-N 0 3 242.352 0.275 20 0 BCADHN C[C@](O)(CNC[C@H](O)C1CC1)C(F)(F)F ZINC000308906586 349058867 /nfs/dbraw/zinc/05/88/67/349058867.db2.gz LNEKFWBDIZIANW-YUMQZZPRSA-N 0 3 227.226 0.660 20 0 BCADHN C[C@@H]1CCN(CC(=O)NC(N)=O)C[C@@H](C)C1 ZINC000246760086 349106621 /nfs/dbraw/zinc/10/66/21/349106621.db2.gz QSSIJYHVQQJMSL-BDAKNGLRSA-N 0 3 227.308 0.549 20 0 BCADHN CC[C@@H](C)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000248372668 349124470 /nfs/dbraw/zinc/12/44/70/349124470.db2.gz BPPCYPLWKNYGCD-IWSPIJDZSA-N 0 3 200.282 0.360 20 0 BCADHN CC[C@H](C)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000248372667 349124603 /nfs/dbraw/zinc/12/46/03/349124603.db2.gz BPPCYPLWKNYGCD-DJLDLDEBSA-N 0 3 200.282 0.360 20 0 BCADHN CC[C@@H](C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248373328 349125666 /nfs/dbraw/zinc/12/56/66/349125666.db2.gz IAXCFEPFVGQYOU-RKDXNWHRSA-N 0 3 220.338 0.408 20 0 BCADHN COCC[C@@H](CO)NCc1ccnc(C)c1 ZINC000623514061 362939297 /nfs/dbraw/zinc/93/92/97/362939297.db2.gz YYJMKPPPUUKBRF-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN CCCN(CCCCC(=O)OC)CC(=O)NC ZINC000599269384 349136651 /nfs/dbraw/zinc/13/66/51/349136651.db2.gz PTWVVQMFZCTPGZ-UHFFFAOYSA-N 0 3 244.335 0.788 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)C[C@@H](O)C1CC1 ZINC000599307582 349143496 /nfs/dbraw/zinc/14/34/96/349143496.db2.gz VIPQUENAKPIQGA-GHMZBOCLSA-N 0 3 245.319 0.003 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)C1(CO)CCC1 ZINC000599425472 349184329 /nfs/dbraw/zinc/18/43/29/349184329.db2.gz IRYNPQYKMDBOSM-SNVBAGLBSA-N 0 3 245.319 0.147 20 0 BCADHN Cc1ccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([O-])c1 ZINC000252406003 349190131 /nfs/dbraw/zinc/19/01/31/349190131.db2.gz FPFRDCWFKDIDEE-IAZYJMLFSA-N 0 3 232.283 0.648 20 0 BCADHN 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CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CCCN1C ZINC000599401939 349172726 /nfs/dbraw/zinc/17/27/26/349172726.db2.gz JYYSBIWOFDPFRG-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CCOC(=O)C[C@H](O)CN[C@@H]1CCO[C@H]1CC ZINC000599436838 349175923 /nfs/dbraw/zinc/17/59/23/349175923.db2.gz AHVIKBKDXIJPKS-AXFHLTTASA-N 0 3 245.319 0.458 20 0 BCADHN CCCN1CC[C@@](OC)(C(=O)OC)C1 ZINC000599566960 349219803 /nfs/dbraw/zinc/21/98/03/349219803.db2.gz KDDNXOSBSYZXLO-JTQLQIEISA-N 0 3 201.266 0.660 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(CCCCO)C1 ZINC000599564703 349219873 /nfs/dbraw/zinc/21/98/73/349219873.db2.gz VBDDOWNAJNOVSS-LLVKDONJSA-N 0 3 231.292 0.023 20 0 BCADHN CCOCCCN1CC[C@](OC)(C(=O)OC)C1 ZINC000599564783 349220087 /nfs/dbraw/zinc/22/00/87/349220087.db2.gz XFEHLMNIPIUHIU-GFCCVEGCSA-N 0 3 245.319 0.677 20 0 BCADHN C[C@H](CO)CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599633158 349237019 /nfs/dbraw/zinc/23/70/19/349237019.db2.gz COISTWQJLSAQBZ-DDIVZENXSA-N 0 3 231.361 0.600 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CC[C@@H]2C[C@@H]2C1 ZINC000599473983 349195187 /nfs/dbraw/zinc/19/51/87/349195187.db2.gz DGLSUQPXBYFIMZ-MXWKQRLJSA-N 0 3 227.304 0.642 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CC[C@H]2C[C@H]2C1 ZINC000599473982 349195298 /nfs/dbraw/zinc/19/52/98/349195298.db2.gz DGLSUQPXBYFIMZ-DCAQKATOSA-N 0 3 227.304 0.642 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CC2CC1(C)C2 ZINC000599476705 349201864 /nfs/dbraw/zinc/20/18/64/349201864.db2.gz HDRODCFZUULMQV-SQLBVSGCSA-N 0 3 227.304 0.785 20 0 BCADHN Cn1ccc(CN[C@H]2CC[C@H](O)CC2)n1 ZINC000252701936 349205486 /nfs/dbraw/zinc/20/54/86/349205486.db2.gz FWOBURUXSMPGAS-HOMQSWHASA-N 0 3 209.293 0.813 20 0 BCADHN O=C(CN1CCCCC[C@@H]1CCO)N1CCC1 ZINC000342015515 538037912 /nfs/dbraw/zinc/03/79/12/538037912.db2.gz IEGXXLOGMYYSKB-GFCCVEGCSA-N 0 3 240.347 0.846 20 0 BCADHN CC(C)CN1CCN(C[C@H](C)O)CC1 ZINC000055080445 349282164 /nfs/dbraw/zinc/28/21/64/349282164.db2.gz FCDJXTSFXUWSEV-NSHDSACASA-N 0 3 200.326 0.641 20 0 BCADHN CCNC(=O)CCC(=O)NCCN(C)C1CC1 ZINC000600053455 349283000 /nfs/dbraw/zinc/28/30/00/349283000.db2.gz XXDPJKPJKPNMFA-UHFFFAOYSA-N 0 3 241.335 0.113 20 0 BCADHN Cn1ccc(C(=O)NC[C@@H]2CCN(C)C2)n1 ZINC000600044123 349284222 /nfs/dbraw/zinc/28/42/22/349284222.db2.gz SQEFYCHCXBDBAR-VIFPVBQESA-N 0 3 222.292 0.102 20 0 BCADHN C[C@H](CN)N(C)C(=O)C(=O)c1ccc[nH]1 ZINC000623057838 349358531 /nfs/dbraw/zinc/35/85/31/349358531.db2.gz IFAXXOXMRKXGBF-SSDOTTSWSA-N 0 3 209.249 0.003 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000388649398 349308694 /nfs/dbraw/zinc/30/86/94/349308694.db2.gz DNODOHRIENJWEJ-OUAUKWLOSA-N 0 3 228.336 0.901 20 0 BCADHN CCO[C@@H]1C[C@H]1N[C@H](C)CC(=O)N(C)C ZINC000309030736 349317115 /nfs/dbraw/zinc/31/71/15/349317115.db2.gz DNSBACQZXQKWPD-OPRDCNLKSA-N 0 3 214.309 0.620 20 0 BCADHN COC[C@@H](C)NCC(=O)NCc1ccccc1 ZINC000020303259 349396581 /nfs/dbraw/zinc/39/65/81/349396581.db2.gz HJVYMSSWSLSGSX-LLVKDONJSA-N 0 3 236.315 0.927 20 0 BCADHN CC[C@@H]1C[C@H](NC(=O)NCCN(C)C)CCO1 ZINC000422232774 192423733 /nfs/dbraw/zinc/42/37/33/192423733.db2.gz FUQRHJKXZBHKEF-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN CCNC(=O)CN1CCCCC[C@H]1CCO ZINC000342028825 538040559 /nfs/dbraw/zinc/04/05/59/538040559.db2.gz FCJSAOQPCHZKFS-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN COC(=O)c1ccc(CN[C@@H]2CCOC2)n1C ZINC000602009782 349422439 /nfs/dbraw/zinc/42/24/39/349422439.db2.gz BYUYHHQLJWMDRU-SECBINFHSA-N 0 3 238.287 0.690 20 0 BCADHN CNC(=O)N[C@@H]1CCN([C@@H](C)CCOC)C1 ZINC000342337156 538046746 /nfs/dbraw/zinc/04/67/46/538046746.db2.gz KONOJUFRVKTYAL-VHSXEESVSA-N 0 3 229.324 0.415 20 0 BCADHN [NH3+]C1(C[N-]S(=O)(=O)c2ccco2)CCCC1 ZINC000658390812 490271863 /nfs/dbraw/zinc/27/18/63/490271863.db2.gz WRMQNISPALOTDW-UHFFFAOYSA-N 0 3 244.316 0.829 20 0 BCADHN CC(C)(C)[C@H](O)CNC(=O)C1(N)CCC1 ZINC000324344593 323228575 /nfs/dbraw/zinc/22/85/75/323228575.db2.gz NMTNWLIQKZAKKV-MRVPVSSYSA-N 0 3 214.309 0.391 20 0 BCADHN C[C@H](N)C(=O)N1CCCC[C@@H]1C(F)F ZINC000638703463 352541604 /nfs/dbraw/zinc/54/16/04/352541604.db2.gz IDNAGIMYXQMORD-NKWVEPMBSA-N 0 3 206.236 0.980 20 0 BCADHN Cc1nc(C)c(CNC(=O)CNC2CC2)o1 ZINC000311835727 350041905 /nfs/dbraw/zinc/04/19/05/350041905.db2.gz MOBBRRSSYQDWNJ-UHFFFAOYSA-N 0 3 223.276 0.660 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C[C@@H]2CSCCN2)CO1 ZINC000402230534 350082312 /nfs/dbraw/zinc/08/23/12/350082312.db2.gz URXFATLTDIQTPA-KXUCPTDWSA-N 0 3 244.360 0.375 20 0 BCADHN CC[C@H](C)CS(=O)(=O)C(C)C(N)=O ZINC000131268934 191009873 /nfs/dbraw/zinc/00/98/73/191009873.db2.gz ORHZDGNLSUIFRA-NKWVEPMBSA-N 0 3 207.295 0.321 20 0 BCADHN CN(C[C@H]1CCCN1C)c1ccc(C#N)nn1 ZINC000397053380 350065881 /nfs/dbraw/zinc/06/58/81/350065881.db2.gz VODLHCOBDQMQAY-LLVKDONJSA-N 0 3 231.303 0.879 20 0 BCADHN CCCS(=O)(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000390807569 350106967 /nfs/dbraw/zinc/10/69/67/350106967.db2.gz MRRWFMMIPCZUDI-NXEZZACHSA-N 0 3 234.365 0.751 20 0 BCADHN Cc1nc(N2CC(N(C)C)C2)cc2nncn21 ZINC000298836814 180001010 /nfs/dbraw/zinc/00/10/10/180001010.db2.gz IBAQLRJGDIEPQI-UHFFFAOYSA-N 0 3 232.291 0.183 20 0 BCADHN CN(C)CCNC(=O)NCc1cccnc1 ZINC000074753371 490307650 /nfs/dbraw/zinc/30/76/50/490307650.db2.gz ZWYCCJWCBIQDMI-UHFFFAOYSA-N 0 3 222.292 0.442 20 0 BCADHN Cc1nc(NC(=O)NCCN(C)C)oc1C ZINC000299264142 180008828 /nfs/dbraw/zinc/00/88/28/180008828.db2.gz WAEOXTCYBLQAHL-UHFFFAOYSA-N 0 3 226.280 0.975 20 0 BCADHN Cc1nc(NC(=O)[C@@H]2C[C@@H](O)CN2)sc1C ZINC000042573224 180010527 /nfs/dbraw/zinc/01/05/27/180010527.db2.gz UZNRKOCSIFSXEB-SFYZADRCSA-N 0 3 241.316 0.421 20 0 BCADHN NC(=O)CN(CCCO)C1CCCC1 ZINC000303407887 350115299 /nfs/dbraw/zinc/11/52/99/350115299.db2.gz SWBBCAZPOHQYHL-UHFFFAOYSA-N 0 3 200.282 0.099 20 0 BCADHN C[C@H](CCO)N[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132189753 191026597 /nfs/dbraw/zinc/02/65/97/191026597.db2.gz SZLKEQKIRFLYLC-MXWKQRLJSA-N 0 3 249.376 0.703 20 0 BCADHN CN1CCC[C@H](N2CCN(CC(F)F)CC2)C1 ZINC000604389947 350119170 /nfs/dbraw/zinc/11/91/70/350119170.db2.gz LXGRKOIOUSZMEN-NSHDSACASA-N 0 3 247.333 0.963 20 0 BCADHN Cc1nnc([C@H]2CCCN([C@H](C)C(N)=O)C2)[nH]1 ZINC000268445481 180054182 /nfs/dbraw/zinc/05/41/82/180054182.db2.gz HXRLBVDNZQELLX-APPZFPTMSA-N 0 3 237.307 0.166 20 0 BCADHN Cc1nnc([C@H]2CCCN(C(=O)C3(N)CC3)C2)[nH]1 ZINC000353206023 180055608 /nfs/dbraw/zinc/05/56/08/180055608.db2.gz PPPWUMVENKDWQQ-VIFPVBQESA-N 0 3 249.318 0.310 20 0 BCADHN CC(C)(C)[C@H](NCCn1ccnc1)C(N)=O ZINC000132025715 191023302 /nfs/dbraw/zinc/02/33/02/191023302.db2.gz ALZIJFYUMLBKOL-SECBINFHSA-N 0 3 224.308 0.373 20 0 BCADHN CN1CCC[C@H]1CN[C@@H]1CCCS(=O)(=O)C1 ZINC000132124237 191025412 /nfs/dbraw/zinc/02/54/12/191025412.db2.gz VEZOFTHSQDGERX-MNOVXSKESA-N 0 3 246.376 0.247 20 0 BCADHN Cn1nncc1CN1CCCCC[C@H]1CCO ZINC000342840621 538055656 /nfs/dbraw/zinc/05/56/56/538055656.db2.gz ODPPCSXSOQVUAJ-NSHDSACASA-N 0 3 238.335 0.942 20 0 BCADHN C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCCNCC2)O1 ZINC000422717579 192441520 /nfs/dbraw/zinc/44/15/20/192441520.db2.gz WFSJWFZQBAWXTC-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](CO)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000132243283 191029367 /nfs/dbraw/zinc/02/93/67/191029367.db2.gz OCLNGYNQVLVZST-IVZWLZJFSA-N 0 3 235.349 0.313 20 0 BCADHN Cc1nc2ccc(NCCN(C)C3CC3)nn2n1 ZINC000288200645 180096892 /nfs/dbraw/zinc/09/68/92/180096892.db2.gz BVROUZPUAFVPEM-UHFFFAOYSA-N 0 3 246.318 0.939 20 0 BCADHN C[C@@H](O)CN[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000132354248 191030902 /nfs/dbraw/zinc/03/09/02/191030902.db2.gz MNAHAOVIPGVAON-KXUCPTDWSA-N 0 3 235.349 0.313 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCC1(CCO)CC1 ZINC000133147504 191037254 /nfs/dbraw/zinc/03/72/54/191037254.db2.gz LMUOFKGPSCZNHW-SNVBAGLBSA-N 0 3 249.376 0.562 20 0 BCADHN CC(C)SCCN1CCC(O)(CO)CC1 ZINC000313637611 350164033 /nfs/dbraw/zinc/16/40/33/350164033.db2.gz VSUYZMVNXVMRQJ-UHFFFAOYSA-N 0 3 233.377 0.947 20 0 BCADHN CCc1cc(N2CCC[C@@](O)(CO)C2)ccn1 ZINC000313666435 350164378 /nfs/dbraw/zinc/16/43/78/350164378.db2.gz JAWNXUFRISGFRS-ZDUSSCGKSA-N 0 3 236.315 0.968 20 0 BCADHN Cn1cncc1CCCN1CC[C@@H](O)C1 ZINC000313986198 350166838 /nfs/dbraw/zinc/16/68/38/350166838.db2.gz JSZSQAJOJNPXNE-LLVKDONJSA-N 0 3 209.293 0.419 20 0 BCADHN Cc1nc2ccccc2n1CCCNC(=O)CN ZINC000237759573 180103724 /nfs/dbraw/zinc/10/37/24/180103724.db2.gz CPBOKGFALXMHJI-UHFFFAOYSA-N 0 3 246.314 0.810 20 0 BCADHN Cc1ncc(C(=O)N2C[C@H](C)NC[C@H]2C)c(C)n1 ZINC000356918532 180128734 /nfs/dbraw/zinc/12/87/34/180128734.db2.gz LXCBKFUBXVVZMI-DTWKUNHWSA-N 0 3 248.330 0.916 20 0 BCADHN CN1CCC[C@H](CNC(=O)Nc2cccnn2)C1 ZINC000151884283 538063199 /nfs/dbraw/zinc/06/31/99/538063199.db2.gz JIZBUUHSQIAJGL-SNVBAGLBSA-N 0 3 249.318 0.940 20 0 BCADHN Cc1ncc(C(=O)NCCN(C)C)c(C)n1 ZINC000082303028 180129890 /nfs/dbraw/zinc/12/98/90/180129890.db2.gz FFDRQXAAEHNDAD-UHFFFAOYSA-N 0 3 222.292 0.385 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@H](C)[C@H](O)C1)N(C)C ZINC000357876471 191053802 /nfs/dbraw/zinc/05/38/02/191053802.db2.gz DCSBAZAHQXXEPP-QJPTWQEYSA-N 0 3 242.363 0.802 20 0 BCADHN Cc1ncc(CN(C)C(=O)C2(N)CC2)s1 ZINC000083834922 180136669 /nfs/dbraw/zinc/13/66/69/180136669.db2.gz QDHRJICIQASANU-UHFFFAOYSA-N 0 3 225.317 0.901 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCC(F)(F)CN ZINC000427152004 191055276 /nfs/dbraw/zinc/05/52/76/191055276.db2.gz GWLQCLQYJAINGA-VIFPVBQESA-N 0 3 249.305 0.571 20 0 BCADHN Cc1nc2ncnn2c(N2CC(N(C)C)C2)c1C ZINC000301911024 180115350 /nfs/dbraw/zinc/11/53/50/180115350.db2.gz SKGFBMBEKPKCON-UHFFFAOYSA-N 0 3 246.318 0.491 20 0 BCADHN CC(C)[C@](C)(CO)NC(=O)C1CCN(C)CC1 ZINC000427376485 191061413 /nfs/dbraw/zinc/06/14/13/191061413.db2.gz SAJVGKJINLQASZ-ZDUSSCGKSA-N 0 3 242.363 0.851 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-]CC(C)(C)[NH3+])s1 ZINC000226710571 180171331 /nfs/dbraw/zinc/17/13/31/180171331.db2.gz YFPGFDXFEHPJCY-UHFFFAOYSA-N 0 3 249.361 0.467 20 0 BCADHN Cc1ncc(CN2CC[C@@H](CO)[C@H]2C)cn1 ZINC000352405523 180146507 /nfs/dbraw/zinc/14/65/07/180146507.db2.gz IFFWDKXAOHENSR-SKDRFNHKSA-N 0 3 221.304 0.988 20 0 BCADHN COc1ccnc(C(=O)NC[C@@H](C)N(C)C)c1 ZINC000604741319 350182739 /nfs/dbraw/zinc/18/27/39/350182739.db2.gz QEXLDNZMICUCBM-SECBINFHSA-N 0 3 237.303 0.770 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@H](CO)C1 ZINC000048776212 191070483 /nfs/dbraw/zinc/07/04/83/191070483.db2.gz LQEIURVJDLYTGU-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1ncc(C[NH2+]C2CCOCC2)c(=O)[n-]1 ZINC000336740974 180150574 /nfs/dbraw/zinc/15/05/74/180150574.db2.gz QOKSLHTVLYMOME-UHFFFAOYSA-N 0 3 223.276 0.759 20 0 BCADHN Cc1ncc(CNC[C@H]2COCCO2)s1 ZINC000037998281 180152262 /nfs/dbraw/zinc/15/22/62/180152262.db2.gz VYGDIHZJDLSHIB-VIFPVBQESA-N 0 3 228.317 0.957 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)[C@@H](N)CC(F)F)C1 ZINC000309205987 350191777 /nfs/dbraw/zinc/19/17/77/350191777.db2.gz PYSZSRBHAAYVIH-RNJXMRFFSA-N 0 3 236.262 0.653 20 0 BCADHN Cc1ncc(CNC[C@@H]2CCCN2C)cn1 ZINC000309608903 180152679 /nfs/dbraw/zinc/15/26/79/180152679.db2.gz ZKMKODJJONMEIY-LBPRGKRZSA-N 0 3 220.320 0.969 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)CC1(C)COC1 ZINC000637146615 350219269 /nfs/dbraw/zinc/21/92/69/350219269.db2.gz XEPHCBWIAFXENA-JTQLQIEISA-N 0 3 243.351 0.614 20 0 BCADHN Cc1cccc(OC[C@H](O)CN(C)CCO)c1 ZINC000005755695 350201649 /nfs/dbraw/zinc/20/16/49/350201649.db2.gz WMHHUBSIPDYEOY-GFCCVEGCSA-N 0 3 239.315 0.659 20 0 BCADHN Cc1nccc(CN2CC[C@@H](C)[C@@H]2CO)n1 ZINC000353121961 180185866 /nfs/dbraw/zinc/18/58/66/180185866.db2.gz TWZDDKPKRZCRKO-SKDRFNHKSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1ncccc1CC(=O)N[C@H](C)CN(C)C ZINC000346170352 180219249 /nfs/dbraw/zinc/21/92/49/180219249.db2.gz VSTMSRDCSZVGCY-SNVBAGLBSA-N 0 3 235.331 0.999 20 0 BCADHN Cc1ncccc1CN1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000377651303 180220483 /nfs/dbraw/zinc/22/04/83/180220483.db2.gz JVUHULHMYFVFCN-STQMWFEESA-N 0 3 245.326 0.958 20 0 BCADHN Cc1ncccc1CN1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000377651300 180221627 /nfs/dbraw/zinc/22/16/27/180221627.db2.gz JVUHULHMYFVFCN-OLZOCXBDSA-N 0 3 245.326 0.958 20 0 BCADHN Cc1ncccc1O[C@H]1CCN(CCO)C1 ZINC000375974629 180227592 /nfs/dbraw/zinc/22/75/92/180227592.db2.gz KOQYTWCZPHFPIY-NSHDSACASA-N 0 3 222.288 0.835 20 0 BCADHN Cc1nccn1CCCN1CCNC(=O)CC1 ZINC000269952511 180239480 /nfs/dbraw/zinc/23/94/80/180239480.db2.gz VQPNRMGQOBAFOS-UHFFFAOYSA-N 0 3 236.319 0.404 20 0 BCADHN Cc1nccn1-c1ncccc1NC(=O)[C@@H](C)N ZINC000037765510 180230931 /nfs/dbraw/zinc/23/09/31/180230931.db2.gz RNNVDMBQFVGIJB-MRVPVSSYSA-N 0 3 245.286 0.861 20 0 BCADHN Cc1cc(NC(=O)[C@@H](N)CC(F)F)nn1C ZINC000309242678 350235444 /nfs/dbraw/zinc/23/54/44/350235444.db2.gz XGFKWFPBGQKQNA-LURJTMIESA-N 0 3 232.234 0.650 20 0 BCADHN Cc1nccn1CCCCNC(=O)C(C)(C)N ZINC000237623233 180235728 /nfs/dbraw/zinc/23/57/28/180235728.db2.gz LEBQXTZLIPBRKZ-UHFFFAOYSA-N 0 3 238.335 0.825 20 0 BCADHN Cc1nccn1CCCN(C)[C@H](C)C(N)=O ZINC000179493800 180236922 /nfs/dbraw/zinc/23/69/22/180236922.db2.gz AEHFWMKSFVURJW-SECBINFHSA-N 0 3 224.308 0.387 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ccncn2)CCN1C ZINC000427518398 191080110 /nfs/dbraw/zinc/08/01/10/191080110.db2.gz FJLWEKWHTFPCJZ-ZJUUUORDSA-N 0 3 234.303 0.689 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2ccncn2)CCN1C ZINC000427518397 191080158 /nfs/dbraw/zinc/08/01/58/191080158.db2.gz FJLWEKWHTFPCJZ-VHSXEESVSA-N 0 3 234.303 0.689 20 0 BCADHN Cc1nccn1CCN(C)CC(C)(CO)CO ZINC000270889320 180246394 /nfs/dbraw/zinc/24/63/94/180246394.db2.gz OVNOGFHZTCVPNC-UHFFFAOYSA-N 0 3 241.335 0.114 20 0 BCADHN COC(=O)Cc1csc(NC(=O)[C@H](C)N)n1 ZINC000309258587 350242879 /nfs/dbraw/zinc/24/28/79/350242879.db2.gz HENWQADLMFHMKV-YFKPBYRVSA-N 0 3 243.288 0.144 20 0 BCADHN CS[C@H]1CN(C(=O)C(C)(C)O)C[C@@H]1N(C)C ZINC000427704585 191089259 /nfs/dbraw/zinc/08/92/59/191089259.db2.gz KHJVFCMQJHXAIS-IUCAKERBSA-N 0 3 246.376 0.261 20 0 BCADHN Cc1nccn1CCN1CCC[C@@H](O)C1 ZINC000050103564 180250051 /nfs/dbraw/zinc/25/00/51/180250051.db2.gz SCXYXPOKETVFQT-LLVKDONJSA-N 0 3 209.293 0.648 20 0 BCADHN CC[C@@H](OC)C(=O)NCCN(C)C1CC1 ZINC000068440950 350251428 /nfs/dbraw/zinc/25/14/28/350251428.db2.gz VKBVTVJUDUAHNZ-SNVBAGLBSA-N 0 3 214.309 0.622 20 0 BCADHN CS[C@@H]1CN(C(=O)C(C)(C)O)C[C@H]1N(C)C ZINC000427704586 191088886 /nfs/dbraw/zinc/08/88/86/191088886.db2.gz KHJVFCMQJHXAIS-RKDXNWHRSA-N 0 3 246.376 0.261 20 0 BCADHN Cc1c(CN(C)C[C@@H](O)C2CC2)cnn1C ZINC000305100394 490433458 /nfs/dbraw/zinc/43/34/58/490433458.db2.gz AXQNKFCUANUKOI-GFCCVEGCSA-N 0 3 223.320 0.931 20 0 BCADHN Cc1c(CN(C)C[C@H](O)C2CC2)cnn1C ZINC000305100395 490433529 /nfs/dbraw/zinc/43/35/29/490433529.db2.gz AXQNKFCUANUKOI-LBPRGKRZSA-N 0 3 223.320 0.931 20 0 BCADHN CSCC(=O)N1CCC[C@@H]1CN(C)C ZINC000427719766 191089625 /nfs/dbraw/zinc/08/96/25/191089625.db2.gz CVKMWYICFMDWFR-SECBINFHSA-N 0 3 216.350 0.902 20 0 BCADHN CSCCCN1CC[C@H](CO)[C@@H](O)C1 ZINC000563913863 323320952 /nfs/dbraw/zinc/32/09/52/323320952.db2.gz UNBMSOYRNDOLND-ZJUUUORDSA-N 0 3 219.350 0.415 20 0 BCADHN COC[C@@H](O)CN1CCN(CC(C)C)CC1 ZINC000068891261 350297508 /nfs/dbraw/zinc/29/75/08/350297508.db2.gz ZSIURGRIOYJAFE-LBPRGKRZSA-N 0 3 230.352 0.267 20 0 BCADHN COC[C@H](O)CN1CCN(CC(C)C)CC1 ZINC000068891262 350297676 /nfs/dbraw/zinc/29/76/76/350297676.db2.gz ZSIURGRIOYJAFE-GFCCVEGCSA-N 0 3 230.352 0.267 20 0 BCADHN COC[C@@H](O)CNCc1ccc(OC)nc1 ZINC000068892050 350298502 /nfs/dbraw/zinc/29/85/02/350298502.db2.gz WVZSEPBVECPIRR-JTQLQIEISA-N 0 3 226.276 0.187 20 0 BCADHN COC[C@H](O)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000068891225 350300071 /nfs/dbraw/zinc/30/00/71/350300071.db2.gz NMCHZVLNKZLSKX-WOPDTQHZSA-N 0 3 229.320 0.637 20 0 BCADHN Cc1ncc(CNCCCS(C)(=O)=O)s1 ZINC000038046927 350303573 /nfs/dbraw/zinc/30/35/73/350303573.db2.gz UYLZYYRUBVHVDO-UHFFFAOYSA-N 0 3 248.373 0.976 20 0 BCADHN Cc1ncncc1C(=O)NCC1(N(C)C)CCC1 ZINC000275850383 180293176 /nfs/dbraw/zinc/29/31/76/180293176.db2.gz HXOLXVWIOVFWGK-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN C[C@H](N[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCCO1 ZINC000068939690 350312868 /nfs/dbraw/zinc/31/28/68/350312868.db2.gz JBGMEBNJWAIDBI-HBNTYKKESA-N 0 3 247.360 0.721 20 0 BCADHN CCOC[C@H](O)CNCc1ccccn1 ZINC000068950766 350313097 /nfs/dbraw/zinc/31/30/97/350313097.db2.gz WMOLYIISCKVDQG-LLVKDONJSA-N 0 3 210.277 0.569 20 0 BCADHN CCCCOCCN[C@@H]1CCCS(=O)(=O)C1 ZINC000068940106 350313497 /nfs/dbraw/zinc/31/34/97/350313497.db2.gz FDLPOVHUWGELHU-LLVKDONJSA-N 0 3 249.376 0.970 20 0 BCADHN O=S1(=O)CCC[C@@H](NCCn2cccn2)C1 ZINC000068940155 350314058 /nfs/dbraw/zinc/31/40/58/350314058.db2.gz RFIYGVHXLGBSKL-SNVBAGLBSA-N 0 3 243.332 0.050 20 0 BCADHN Cc1nccnc1[C@@H](C)NC[C@@H](O)CN(C)C ZINC000331317372 180282206 /nfs/dbraw/zinc/28/22/06/180282206.db2.gz GDWDZBFJXHAIMD-GHMZBOCLSA-N 0 3 238.335 0.358 20 0 BCADHN CC[C@H]1CO[C@H](C)CN1C(=O)[C@@H]1C[C@@H]1N ZINC000050458925 350343037 /nfs/dbraw/zinc/34/30/37/350343037.db2.gz OPKONCCEUPZUET-RGOKHQFPSA-N 0 3 212.293 0.360 20 0 BCADHN CC(C)(C)OC(=O)[C@](C)(O)CNC1CSC1 ZINC000309369004 350354434 /nfs/dbraw/zinc/35/44/34/350354434.db2.gz PZPJJCBIOCKRGV-LLVKDONJSA-N 0 3 247.360 0.784 20 0 BCADHN CC(C)(C)OC(=O)[C@@](C)(O)CNC1CSC1 ZINC000309369005 350354514 /nfs/dbraw/zinc/35/45/14/350354514.db2.gz PZPJJCBIOCKRGV-NSHDSACASA-N 0 3 247.360 0.784 20 0 BCADHN CSCC[C@H](N)C(=O)N(C)C1CC1 ZINC000040459426 350365674 /nfs/dbraw/zinc/36/56/74/350365674.db2.gz BANHIZMNLHNTHB-QMMMGPOBSA-N 0 3 202.323 0.688 20 0 BCADHN Cc1ncsc1CCN1C[C@H](O)[C@@H](O)C1 ZINC000235804238 180308920 /nfs/dbraw/zinc/30/89/20/180308920.db2.gz MDKLFTLFOCFZQC-IUCAKERBSA-N 0 3 228.317 0.031 20 0 BCADHN C[C@@H](NC(=O)NC[C@@H]1CCCN1C)C(C)(C)O ZINC000606658472 350405870 /nfs/dbraw/zinc/40/58/70/350405870.db2.gz IJXZZATVZVXQAG-ZJUUUORDSA-N 0 3 243.351 0.539 20 0 BCADHN Cc1[nH]cnc1CC(=O)NC[C@@H](CO)C1CC1 ZINC000427871432 191098604 /nfs/dbraw/zinc/09/86/04/191098604.db2.gz KHMVPKPHBJEZHW-JTQLQIEISA-N 0 3 237.303 0.395 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NC2(C)COC2)C1 ZINC000637282096 350391770 /nfs/dbraw/zinc/39/17/70/350391770.db2.gz CIRZYWPLSRCQME-SNVBAGLBSA-N 0 3 241.335 0.559 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@@H](CCO)C1 ZINC000226001741 350394286 /nfs/dbraw/zinc/39/42/86/350394286.db2.gz HMHCRLUCZZJUJU-MNOVXSKESA-N 0 3 240.347 0.748 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@H](C)CCO ZINC000096811435 180342670 /nfs/dbraw/zinc/34/26/70/180342670.db2.gz XGDPIMABHVMTKS-MRVPVSSYSA-N 0 3 211.309 0.897 20 0 BCADHN Cc1nn(C)c(C)c1NC(=O)CNCC1CC1 ZINC000040857023 180343055 /nfs/dbraw/zinc/34/30/55/180343055.db2.gz XCXDRHLMIGBGIT-UHFFFAOYSA-N 0 3 236.319 0.975 20 0 BCADHN CC(C)CN1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000336683863 350439302 /nfs/dbraw/zinc/43/93/02/350439302.db2.gz SZXCKRFKNROCHO-NSHDSACASA-N 0 3 248.392 0.904 20 0 BCADHN Cc1nn(C)c(C)c1CNC[C@@H](C)CO ZINC000088195466 180340218 /nfs/dbraw/zinc/34/02/18/180340218.db2.gz MSNROMCZGXPEAE-MRVPVSSYSA-N 0 3 211.309 0.755 20 0 BCADHN CCOC[C@H](O)CN1CCC[C@@H](C(=O)OC)C1 ZINC000226656652 350446137 /nfs/dbraw/zinc/44/61/37/350446137.db2.gz QKNMEQNCJNSGFS-GHMZBOCLSA-N 0 3 245.319 0.269 20 0 BCADHN Cc1nn(C)cc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000262794966 180367745 /nfs/dbraw/zinc/36/77/45/180367745.db2.gz OCADNKPTAXKMBN-PSASIEDQSA-N 0 3 236.319 0.551 20 0 BCADHN O=C1NCCCC[C@@H]1N1CC[C@H](CCO)C1 ZINC000162902484 350460468 /nfs/dbraw/zinc/46/04/68/350460468.db2.gz SOIDPAVNJVIYPH-MNOVXSKESA-N 0 3 226.320 0.359 20 0 BCADHN Cc1nn(C)cc1C(=O)N[C@@H](C)CN(C)C ZINC000287231357 180370839 /nfs/dbraw/zinc/37/08/39/180370839.db2.gz PITOPVBFTAEMBL-QMMMGPOBSA-N 0 3 224.308 0.408 20 0 BCADHN Cc1nn(C)cc1CN(CCO)CC1CC1 ZINC000092505814 180373908 /nfs/dbraw/zinc/37/39/08/180373908.db2.gz FCDIYLIAGXKSFR-UHFFFAOYSA-N 0 3 223.320 0.933 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NCCc1ncn(C)n1 ZINC000127882529 180378500 /nfs/dbraw/zinc/37/85/00/180378500.db2.gz PKVSQWVNQZQRNM-SECBINFHSA-N 0 3 248.334 0.750 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC(C(N)=O)CC1 ZINC000019512188 350476740 /nfs/dbraw/zinc/47/67/40/350476740.db2.gz LMYHINKWFSGRMG-PSASIEDQSA-N 0 3 241.335 0.084 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NCCC(=O)N(C)C ZINC000087408897 180381032 /nfs/dbraw/zinc/38/10/32/180381032.db2.gz SAVCWHXWKSSTAY-VIFPVBQESA-N 0 3 238.335 0.857 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1C[C@@H]1N ZINC000331836899 180381058 /nfs/dbraw/zinc/38/10/58/180381058.db2.gz FOTWYMNCNCTHTB-IONOHQLYSA-N 0 3 222.292 0.253 20 0 BCADHN CN(CCCCCO)CC(=O)N(C)C1CC1 ZINC000227116565 350483475 /nfs/dbraw/zinc/48/34/75/350483475.db2.gz HNEQJLPEOJFRRS-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN COCCN(CCO)C[C@H]1CCCN1C ZINC000386288258 362961509 /nfs/dbraw/zinc/96/15/09/362961509.db2.gz HDFVJBWVTRDOIQ-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN CN(CCCO)CCn1ccccc1=O ZINC000300778360 490568342 /nfs/dbraw/zinc/56/83/42/490568342.db2.gz FIMDZNNHNKQJOT-UHFFFAOYSA-N 0 3 210.277 0.163 20 0 BCADHN CCOC(=O)COCCN1CCC[C@@](C)(O)C1 ZINC000163297760 350514834 /nfs/dbraw/zinc/51/48/34/350514834.db2.gz PQFXAZQUIANPAA-GFCCVEGCSA-N 0 3 245.319 0.413 20 0 BCADHN C[C@H]1COCC[C@@H]1NCc1cncnc1 ZINC000300893826 490571681 /nfs/dbraw/zinc/57/16/81/490571681.db2.gz UVGLPPAZFIOHKD-ONGXEEELSA-N 0 3 207.277 0.991 20 0 BCADHN O=S1(=O)CCC[C@@H](N[C@H]2CC23CC3)C1 ZINC000335277513 538094203 /nfs/dbraw/zinc/09/42/03/538094203.db2.gz IWAZPRDKYQZAAL-BDAKNGLRSA-N 0 3 215.318 0.706 20 0 BCADHN Cc1ccc(CNC(=O)NCCN(C)C)cn1 ZINC000133447647 191106309 /nfs/dbraw/zinc/10/63/09/191106309.db2.gz KGCGTNNBHPVXHM-UHFFFAOYSA-N 0 3 236.319 0.751 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(OC)ccn1 ZINC000309444703 350499159 /nfs/dbraw/zinc/49/91/59/350499159.db2.gz LBHXODBLJNLVAH-QMMMGPOBSA-N 0 3 209.249 0.766 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)N1CC(C)(F)C1 ZINC000637380483 350501169 /nfs/dbraw/zinc/50/11/69/350501169.db2.gz RXKWKFXXEKYCGG-SECBINFHSA-N 0 3 229.299 0.834 20 0 BCADHN CC[C@@H](NC(=O)NC[C@H]1CCCN1C)[C@H](C)O ZINC000637379700 350504216 /nfs/dbraw/zinc/50/42/16/350504216.db2.gz UEGDTSGSXUMOCF-HBNTYKKESA-N 0 3 243.351 0.539 20 0 BCADHN C[C@@H](NC(=O)[C@@]1(F)CCNC1)c1ccccn1 ZINC000163552723 350528611 /nfs/dbraw/zinc/52/86/11/350528611.db2.gz AZSQSPCTXXCEAA-BXKDBHETSA-N 0 3 237.278 0.960 20 0 BCADHN Cc1nnc(C(=O)N[C@@H](C)CN(C)C)s1 ZINC000289296200 180398887 /nfs/dbraw/zinc/39/88/87/180398887.db2.gz UUKIQCWCXGJTLN-LURJTMIESA-N 0 3 228.321 0.526 20 0 BCADHN CC[C@H](N)C(=O)N1CCC(C)(COC)CC1 ZINC000577489022 365966907 /nfs/dbraw/zinc/96/69/07/365966907.db2.gz MIGUUCCNIRAXPF-JTQLQIEISA-N 0 3 228.336 0.999 20 0 BCADHN CC[C@@H](N[C@@H](C)Cn1cccn1)C(N)=O ZINC000061676939 350525025 /nfs/dbraw/zinc/52/50/25/350525025.db2.gz LTADVZJDVPRFOY-DTWKUNHWSA-N 0 3 210.281 0.125 20 0 BCADHN COC[C@@H](O)CNCc1c(C)nn(C)c1C ZINC000070589702 350545542 /nfs/dbraw/zinc/54/55/42/350545542.db2.gz FUAGMFALUFDFLQ-JTQLQIEISA-N 0 3 227.308 0.134 20 0 BCADHN CC(C)N(C)CC(=O)NC1(CC(N)=O)CCC1 ZINC000443793157 191109900 /nfs/dbraw/zinc/10/99/00/191109900.db2.gz WBRSSHGUJOKBNF-UHFFFAOYSA-N 0 3 241.335 0.241 20 0 BCADHN CCn1cc(CNCC2(CO)CC2)cn1 ZINC000080247127 490626086 /nfs/dbraw/zinc/62/60/86/490626086.db2.gz JYXCCFXNVXILDR-UHFFFAOYSA-N 0 3 209.293 0.765 20 0 BCADHN O=C(CNC(=O)[C@H]1CCN1)Nc1ccccc1 ZINC000444145538 191111643 /nfs/dbraw/zinc/11/16/43/191111643.db2.gz WYAADQDTYQIINJ-SNVBAGLBSA-N 0 3 233.271 0.103 20 0 BCADHN CCN1CCN(Cc2nnc(C)n2C)[C@@H](C)C1 ZINC000337507935 350590920 /nfs/dbraw/zinc/59/09/20/350590920.db2.gz PUZSDGNQMSFPQA-JTQLQIEISA-N 0 3 237.351 0.650 20 0 BCADHN CNc1cnc(C(=O)N(C)CCN(C)C)cn1 ZINC000230106619 350595355 /nfs/dbraw/zinc/59/53/55/350595355.db2.gz DBVPXHPXFOQUEP-UHFFFAOYSA-N 0 3 237.307 0.152 20 0 BCADHN CCCC[C@H](COC)NCC(=O)NCC ZINC000157941678 191112691 /nfs/dbraw/zinc/11/26/91/191112691.db2.gz SIBWQLLMDPLTSL-SNVBAGLBSA-N 0 3 216.325 0.917 20 0 BCADHN CN1CCC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC000606842118 350617287 /nfs/dbraw/zinc/61/72/87/350617287.db2.gz ITYAKUAJQPYQOP-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN c1[n-][nH]c2ncnc(=NCC[C@H]3CCC[NH2+]C3)c1-2 ZINC000420195043 192173388 /nfs/dbraw/zinc/17/33/88/192173388.db2.gz KALHQHNEQIYZKV-SECBINFHSA-N 0 3 246.318 0.528 20 0 BCADHN C[C@@H](c1cnccn1)N1CC[C@H](CO)C1 ZINC000095089023 350655802 /nfs/dbraw/zinc/65/58/02/350655802.db2.gz WCZHPYJTPLXOKT-UWVGGRQHSA-N 0 3 207.277 0.852 20 0 BCADHN CCN1CCN(CCC(=O)N(C)C2CC2)CC1 ZINC000338025694 350661271 /nfs/dbraw/zinc/66/12/71/350661271.db2.gz QTVVDRLTRPOJBE-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000637511159 350668081 /nfs/dbraw/zinc/66/80/81/350668081.db2.gz SYEDFDRITXIPMT-WDEREUQCSA-N 0 3 241.335 0.415 20 0 BCADHN CC[C@@H](O)CN1CCSC[C@H]1CO ZINC000308365441 350670837 /nfs/dbraw/zinc/67/08/37/350670837.db2.gz NWZRZURPSDGTKH-RKDXNWHRSA-N 0 3 205.323 0.167 20 0 BCADHN CCN1CCC[C@@H](CNS(=O)(=O)CC)C1 ZINC000338725118 350707678 /nfs/dbraw/zinc/70/76/78/350707678.db2.gz QWVDQVWXHNBYGZ-JTQLQIEISA-N 0 3 234.365 0.658 20 0 BCADHN Cc1ccc(CNC[C@@H]2COCCN2C)nc1 ZINC000623711688 362977600 /nfs/dbraw/zinc/97/76/00/362977600.db2.gz MJJGAZYIODJXBE-CYBMUJFWSA-N 0 3 235.331 0.810 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N1CC(C)(F)C1 ZINC000637531049 350681378 /nfs/dbraw/zinc/68/13/78/350681378.db2.gz RXKWKFXXEKYCGG-VIFPVBQESA-N 0 3 229.299 0.834 20 0 BCADHN C[C@H](CCO)N(C)C(=O)NC[C@@H]1CCCN1C ZINC000637532516 350683677 /nfs/dbraw/zinc/68/36/77/350683677.db2.gz FLDUEWZFEQQPIM-MNOVXSKESA-N 0 3 243.351 0.493 20 0 BCADHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cncn1C ZINC000177278344 365991188 /nfs/dbraw/zinc/99/11/88/365991188.db2.gz ULYQCIYVYUSQDM-VHSXEESVSA-N 0 3 236.319 0.506 20 0 BCADHN CCO[C@H]1C[C@H](NC(=O)C(C)S(C)(=O)=O)C1 ZINC000617960553 350745255 /nfs/dbraw/zinc/74/52/55/350745255.db2.gz CLEQMXMYGXCRAV-IWSPIJDZSA-N 0 3 249.332 0.103 20 0 BCADHN C[C@@H]1CC(NC(=O)CNC2CC2)C[C@@H](C)O1 ZINC000237481739 350750578 /nfs/dbraw/zinc/75/05/78/350750578.db2.gz YHUNCFGUCBNCBV-RKDXNWHRSA-N 0 3 226.320 0.811 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@@H](CO)C1CCC1 ZINC000617311631 350721115 /nfs/dbraw/zinc/72/11/15/350721115.db2.gz IKUGHEJWURQOLZ-NSHDSACASA-N 0 3 237.303 0.538 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)NCC(C)(C)F ZINC000637594692 350763428 /nfs/dbraw/zinc/76/34/28/350763428.db2.gz ONYLIZXHHVXBMT-LLVKDONJSA-N 0 3 249.330 0.346 20 0 BCADHN CC[C@H]1CCCCN1c1nc(N)nc(N)n1 ZINC000623787893 362980647 /nfs/dbraw/zinc/98/06/47/362980647.db2.gz GEBFQNPHWQYHSX-ZETCQYMHSA-N 0 3 222.296 0.466 20 0 BCADHN CC[C@@H]1CCCCN1c1nc(N)nc(N)n1 ZINC000623787892 362981384 /nfs/dbraw/zinc/98/13/84/362981384.db2.gz GEBFQNPHWQYHSX-SSDOTTSWSA-N 0 3 222.296 0.466 20 0 BCADHN CN(C)CCN(C)C(=O)NCC(C)(C)F ZINC000637595288 350763848 /nfs/dbraw/zinc/76/38/48/350763848.db2.gz VKOZWCIXSCMPHT-UHFFFAOYSA-N 0 3 219.304 0.938 20 0 BCADHN CC[C@@H](OC)C(=O)NCCN(C)CCOC ZINC000339246652 350743604 /nfs/dbraw/zinc/74/36/04/350743604.db2.gz NXBQBSFPSJZJME-SNVBAGLBSA-N 0 3 232.324 0.106 20 0 BCADHN CCOC(=O)CN1CCCN(CC)C[C@H]1C ZINC000320352537 350778633 /nfs/dbraw/zinc/77/86/33/350778633.db2.gz QCVHDWQLNPURTI-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCS(=O)(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000246048047 350831860 /nfs/dbraw/zinc/83/18/60/350831860.db2.gz CBXDMNFKDGXUAE-ZJUUUORDSA-N 0 3 234.365 0.608 20 0 BCADHN COCCNCCNC(=O)CC1CC1 ZINC000152390005 350831870 /nfs/dbraw/zinc/83/18/70/350831870.db2.gz UBFBLVHLQUWWIJ-UHFFFAOYSA-N 0 3 200.282 0.139 20 0 BCADHN CCN1CCC(N(C)C(=O)CCOC)CC1 ZINC000339816018 350837229 /nfs/dbraw/zinc/83/72/29/350837229.db2.gz UUGCVVQNMWSBOG-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN Cc1cc(CNCCc2cncn2C)nn1C ZINC000623086138 350843664 /nfs/dbraw/zinc/84/36/64/350843664.db2.gz ZQIUFLXOPDABQU-UHFFFAOYSA-N 0 3 233.319 0.794 20 0 BCADHN Cc1nonc1C(=O)NC1(CN(C)C)CCC1 ZINC000281077279 180511966 /nfs/dbraw/zinc/51/19/66/180511966.db2.gz NMGKBGULEHBNQN-UHFFFAOYSA-N 0 3 238.291 0.592 20 0 BCADHN CNC(=O)CCCN(C)C(=O)[C@H]1CCCCN1 ZINC000577612009 366016720 /nfs/dbraw/zinc/01/67/20/366016720.db2.gz AWZYITZEMACIGS-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN C[C@H]1C[C@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000397646859 350956775 /nfs/dbraw/zinc/95/67/75/350956775.db2.gz VJOBHGSRMFIKAB-VHSXEESVSA-N 0 3 226.320 0.215 20 0 BCADHN COC(=O)C1CCN(C[C@H](C)CO)CC1 ZINC000120567556 351038135 /nfs/dbraw/zinc/03/81/35/351038135.db2.gz NYHXIGUWXJUVTA-VIFPVBQESA-N 0 3 215.293 0.500 20 0 BCADHN Cc1cc(S(=O)(=O)N(C)C2CNC2)sn1 ZINC000631937937 362991836 /nfs/dbraw/zinc/99/18/36/362991836.db2.gz OPYONAZEEDOGJG-UHFFFAOYSA-N 0 3 247.345 0.044 20 0 BCADHN COc1ccc([C@@H]2CN(CCO)CCN2)cc1 ZINC000616634813 351117725 /nfs/dbraw/zinc/11/77/25/351117725.db2.gz ZGVZIEMXEVAZLY-ZDUSSCGKSA-N 0 3 236.315 0.634 20 0 BCADHN OCCN1CCNC[C@H]1c1ccc(F)cc1 ZINC000616635370 351119831 /nfs/dbraw/zinc/11/98/31/351119831.db2.gz FHUDTAXRNJJUQV-LBPRGKRZSA-N 0 3 224.279 0.764 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCn1ccnc1 ZINC000382937760 351074570 /nfs/dbraw/zinc/07/45/70/351074570.db2.gz HRTGPPONIJRWOU-SECBINFHSA-N 0 3 222.292 0.140 20 0 BCADHN COC1(CNC[C@@H](C)S(C)(=O)=O)CCC1 ZINC000571517424 351076483 /nfs/dbraw/zinc/07/64/83/351076483.db2.gz YIBLAIIYIIGLNJ-SECBINFHSA-N 0 3 235.349 0.578 20 0 BCADHN CCN(CC(=O)NC(=O)NC)C1CCCC1 ZINC000052908543 351078002 /nfs/dbraw/zinc/07/80/02/351078002.db2.gz FFTLBKDRQDETQZ-UHFFFAOYSA-N 0 3 227.308 0.707 20 0 BCADHN COCc1cccc(CN[C@@H]2COC[C@@H]2O)c1 ZINC000038010787 351255660 /nfs/dbraw/zinc/25/56/60/351255660.db2.gz QPHKIWNBFLHNIH-OLZOCXBDSA-N 0 3 237.299 0.682 20 0 BCADHN CN(C)CCn1cc(NCc2cc[nH]n2)cn1 ZINC000236994648 351260654 /nfs/dbraw/zinc/26/06/54/351260654.db2.gz VMANAGLDHPKWTH-UHFFFAOYSA-N 0 3 234.307 0.780 20 0 BCADHN CN(CC(=O)N1CCNCC1)Cc1ccccc1 ZINC000019685375 351261386 /nfs/dbraw/zinc/26/13/86/351261386.db2.gz UKIIQJQQJHAIDS-UHFFFAOYSA-N 0 3 247.342 0.550 20 0 BCADHN O=C(NC1CC1)[C@@H]1CNCCC1(F)F ZINC000306890521 351298920 /nfs/dbraw/zinc/29/89/20/351298920.db2.gz ZAXGXJUEAWXFOK-ZETCQYMHSA-N 0 3 204.220 0.510 20 0 BCADHN Cc1cc(C(=O)NC[C@H]2CNCCO2)c(C)o1 ZINC000036285293 358461726 /nfs/dbraw/zinc/46/17/26/358461726.db2.gz OKFFYRLYSVCCTI-SNVBAGLBSA-N 0 3 238.287 0.615 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H](C)C1(CO)CC1)N(C)C ZINC000617901917 351307946 /nfs/dbraw/zinc/30/79/46/351307946.db2.gz SATGZDZRMLVLDP-MNOVXSKESA-N 0 3 242.363 0.850 20 0 BCADHN C[C@@H]1[C@H](NCC2(O)CCC2)CCS1(=O)=O ZINC000380001953 351317296 /nfs/dbraw/zinc/31/72/96/351317296.db2.gz NKFDLIPRNGMIAI-RKDXNWHRSA-N 0 3 233.333 0.067 20 0 BCADHN C[C@H]1CCCC[C@H]1Nc1nc(N)nc(N)n1 ZINC000623791994 363020928 /nfs/dbraw/zinc/02/09/28/363020928.db2.gz CXGFFHGQDANTON-NKWVEPMBSA-N 0 3 222.296 0.109 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1ccnnc1C ZINC000269814205 351366706 /nfs/dbraw/zinc/36/67/06/351366706.db2.gz CPDFOWKNUWNPAX-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN OC[C@@H]1CCN(CCOC[C@H]2CCCO2)C1 ZINC000607391325 351373517 /nfs/dbraw/zinc/37/35/17/351373517.db2.gz XVKLATRIUKDXGZ-VXGBXAGGSA-N 0 3 229.320 0.496 20 0 BCADHN C[C@@H](NCC1(O)CCCC1)C(=O)N(C)C ZINC000083466204 351386568 /nfs/dbraw/zinc/38/65/68/351386568.db2.gz SCSVQFSWHNVVLK-SECBINFHSA-N 0 3 214.309 0.358 20 0 BCADHN COC(=O)c1csc(NC(=O)C2(N)CC2)c1 ZINC000237268531 351389665 /nfs/dbraw/zinc/38/96/65/351389665.db2.gz YOFRBDIWXVNMQW-UHFFFAOYSA-N 0 3 240.284 0.965 20 0 BCADHN CC[C@@H](N[C@@H]1CC(=O)N(C)C1)c1cnn(C)c1 ZINC000268808646 351340775 /nfs/dbraw/zinc/34/07/75/351340775.db2.gz GKPCZBPAYSWQCU-GHMZBOCLSA-N 0 3 236.319 0.692 20 0 BCADHN CCOCCN(C)C[C@@H](O)COC(C)C ZINC000087978648 351446967 /nfs/dbraw/zinc/44/69/67/351446967.db2.gz KXSVPVLIYDRCJU-LLVKDONJSA-N 0 3 219.325 0.741 20 0 BCADHN c1n[nH]cc1CN1CCC2(CC1)OCCO2 ZINC000306993558 351411086 /nfs/dbraw/zinc/41/10/86/351411086.db2.gz ZUCWGRCQKCHAEE-UHFFFAOYSA-N 0 3 223.276 0.749 20 0 BCADHN CC[C@H](COC)N[C@@H]1CC(=O)N(CC)C1 ZINC000391526208 351530781 /nfs/dbraw/zinc/53/07/81/351530781.db2.gz VHZOIRZPGLJCGP-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN NC1(C(=O)N[C@H]2CCCC[C@@H]2O)CCC1 ZINC000088051006 351539399 /nfs/dbraw/zinc/53/93/99/351539399.db2.gz VZCWVVACYNRYDF-IUCAKERBSA-N 0 3 212.293 0.288 20 0 BCADHN C[C@@H]1CO[C@H](CO)CN1C[C@@H]1CCOC1 ZINC000088094245 351569406 /nfs/dbraw/zinc/56/94/06/351569406.db2.gz RLYOLAQYPFENMT-VWYCJHECSA-N 0 3 215.293 0.105 20 0 BCADHN CN(CC(C)(C)C[NH3+])c1nc2[nH][n-]cc-2c(=N)n1 ZINC000420198435 192173526 /nfs/dbraw/zinc/17/35/26/192173526.db2.gz CMZDHYXNRVTDFX-UHFFFAOYSA-N 0 3 249.322 0.138 20 0 BCADHN C[C@H]1CO[C@@H](CO)CN1CC1CCOCC1 ZINC000088094488 351597719 /nfs/dbraw/zinc/59/77/19/351597719.db2.gz YPFZGPRPSJFIEY-CMPLNLGQSA-N 0 3 229.320 0.495 20 0 BCADHN CCN1CCN(CCc2ccnn2C)CC1 ZINC000276280619 351613538 /nfs/dbraw/zinc/61/35/38/351613538.db2.gz FRVPYYXEXLPZQC-UHFFFAOYSA-N 0 3 222.336 0.600 20 0 BCADHN NC(=O)[C@H](NC(=O)CNC1CC1)c1ccccc1 ZINC000577621494 366021418 /nfs/dbraw/zinc/02/14/18/366021418.db2.gz NGPPWSIFPNGHBQ-GFCCVEGCSA-N 0 3 247.298 0.081 20 0 BCADHN C[NH2+][C@@H]1CCN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000637801807 351633909 /nfs/dbraw/zinc/63/39/09/351633909.db2.gz NQTPNERLVNMUDC-MRVPVSSYSA-N 0 3 239.250 0.360 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1ccccn1 ZINC000637800198 351635161 /nfs/dbraw/zinc/63/51/61/351635161.db2.gz ABLNOPTVSJVJNN-VIFPVBQESA-N 0 3 207.277 0.696 20 0 BCADHN COc1cccnc1C(=O)N1CCCNCC1 ZINC000637802913 351638628 /nfs/dbraw/zinc/63/86/28/351638628.db2.gz BEWOBFDRPQGHCU-UHFFFAOYSA-N 0 3 235.287 0.526 20 0 BCADHN CCO[C@H](C(=O)N1CCCNCC1)C(C)C ZINC000637803832 351640748 /nfs/dbraw/zinc/64/07/48/351640748.db2.gz OSASKNGECRFEQG-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN C[NH+](C)C1CC(NC(=O)Cc2cncc([O-])c2)C1 ZINC000622007829 370659633 /nfs/dbraw/zinc/65/96/33/370659633.db2.gz NDMXRGCARBBYEC-UHFFFAOYSA-N 0 3 249.314 0.539 20 0 BCADHN CN1CCCN(Cc2ccc(=O)[nH]c2)CC1 ZINC000637811453 351653159 /nfs/dbraw/zinc/65/31/59/351653159.db2.gz OBRWPEXCBJRSDV-UHFFFAOYSA-N 0 3 221.304 0.925 20 0 BCADHN COc1cncc(CN2CC[C@H](C(N)=O)C2)c1C ZINC000637829676 351677799 /nfs/dbraw/zinc/67/77/99/351677799.db2.gz QJAMLXVOKYNFJO-JTQLQIEISA-N 0 3 249.314 0.706 20 0 BCADHN CC(C)(C[NH3+])NC(=O)c1cc(F)c[n-]c1=O ZINC000637830572 351680109 /nfs/dbraw/zinc/68/01/09/351680109.db2.gz ADXLBIJCDJCSSQ-UHFFFAOYSA-N 0 3 227.239 0.393 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000036999443 358465778 /nfs/dbraw/zinc/46/57/78/358465778.db2.gz DXILIYGNMSSOHU-UWVGGRQHSA-N 0 3 224.308 0.515 20 0 BCADHN C[C@H](CNC[C@@H]1CCCS1)S(C)(=O)=O ZINC000577741494 366048961 /nfs/dbraw/zinc/04/89/61/366048961.db2.gz NRZLDOXYWQVNNM-BDAKNGLRSA-N 0 3 237.390 0.905 20 0 BCADHN O=C1NCCCC[C@@H]1NC1CSC1 ZINC000307232185 351688173 /nfs/dbraw/zinc/68/81/73/351688173.db2.gz CGLXJIZQDGYNLU-QMMMGPOBSA-N 0 3 200.307 0.360 20 0 BCADHN Cc1nccn1CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000637838881 351689155 /nfs/dbraw/zinc/68/91/55/351689155.db2.gz DMEKPPRGZLWVQR-AOOOYVTPSA-N 0 3 236.319 0.400 20 0 BCADHN O=c1ccc(CN2CCC[C@@H](O)C2)c[nH]1 ZINC000637837277 351691392 /nfs/dbraw/zinc/69/13/92/351691392.db2.gz BYPINHRAJTUYFY-SNVBAGLBSA-N 0 3 208.261 0.744 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H](C)N1 ZINC000637840089 351694776 /nfs/dbraw/zinc/69/47/76/351694776.db2.gz NBNNLTKXYJDKOY-UKKRHICBSA-N 0 3 248.330 0.722 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H](C)N1 ZINC000637840089 351694777 /nfs/dbraw/zinc/69/47/77/351694777.db2.gz NBNNLTKXYJDKOY-UKKRHICBSA-N 0 3 248.330 0.722 20 0 BCADHN C[C@H](C(=O)N1C[C@@H](C)N[C@H](C)C1)N(C)C ZINC000637841619 351697460 /nfs/dbraw/zinc/69/74/60/351697460.db2.gz UIURYZPBPUXVLX-OPRDCNLKSA-N 0 3 213.325 0.145 20 0 BCADHN C[C@H](C(=O)N1C[C@H](C)N[C@@H](C)C1)N(C)C ZINC000637841617 351697724 /nfs/dbraw/zinc/69/77/24/351697724.db2.gz UIURYZPBPUXVLX-LPEHRKFASA-N 0 3 213.325 0.145 20 0 BCADHN [NH3+]C[C@@H]1CCN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000637823607 351668989 /nfs/dbraw/zinc/66/89/89/351668989.db2.gz SBRZQQJQAUJNGT-ZETCQYMHSA-N 0 3 239.250 0.347 20 0 BCADHN O=C(NCC[NH2+]C1CC1)c1cc(F)c[n-]c1=O ZINC000637827650 351670542 /nfs/dbraw/zinc/67/05/42/351670542.db2.gz KVFREPQEJCQYGP-UHFFFAOYSA-N 0 3 239.250 0.408 20 0 BCADHN C[NH2+]CCC(=O)[N-]c1nncn1-c1ccccc1 ZINC000577749511 366052012 /nfs/dbraw/zinc/05/20/12/366052012.db2.gz CTLHOOWIITVURO-UHFFFAOYSA-N 0 3 245.286 0.815 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637859207 351716214 /nfs/dbraw/zinc/71/62/14/351716214.db2.gz IEZVZRQNNFMFEN-BDAKNGLRSA-N 0 3 248.286 0.149 20 0 BCADHN CN(C(=O)[C@@H]1OCC[C@@H]1N)C1CCCCC1 ZINC000637867435 351727963 /nfs/dbraw/zinc/72/79/63/351727963.db2.gz INYODOMBWVLJII-WDEREUQCSA-N 0 3 226.320 0.894 20 0 BCADHN CN(CCC[C@@H]1CCO1)CC(=O)N(C)C ZINC000637865321 351728050 /nfs/dbraw/zinc/72/80/50/351728050.db2.gz XTGBGPNBSLHLFI-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN COC[C@]1(C(=O)NC(C)C)CCCCN1 ZINC000637865249 351728324 /nfs/dbraw/zinc/72/83/24/351728324.db2.gz CWEGTDYVMOXSGC-NSHDSACASA-N 0 3 214.309 0.670 20 0 BCADHN CCCN(CCC)C(=O)[C@@H]1OCC[C@@H]1N ZINC000637869181 351729220 /nfs/dbraw/zinc/72/92/20/351729220.db2.gz IHJORVGRZSNDOI-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN COc1ccc(NC(=O)[C@@H]2OCC[C@@H]2N)cc1 ZINC000637870015 351735594 /nfs/dbraw/zinc/73/55/94/351735594.db2.gz UPRFXSNIMVIWHV-WDEREUQCSA-N 0 3 236.271 0.750 20 0 BCADHN C[C@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000637870329 351735719 /nfs/dbraw/zinc/73/57/19/351735719.db2.gz FLLCNMDUVWBXCI-LPEHRKFASA-N 0 3 212.293 0.361 20 0 BCADHN CCCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000637874941 351743278 /nfs/dbraw/zinc/74/32/78/351743278.db2.gz BOGOUHCEYFRKCW-ZDUSSCGKSA-N 0 3 249.358 0.972 20 0 BCADHN CCN[C@@H](C)C(=O)NCCCOC(C)C ZINC000637875192 351743598 /nfs/dbraw/zinc/74/35/98/351743598.db2.gz JOEMYUVDRGAEDR-JTQLQIEISA-N 0 3 216.325 0.916 20 0 BCADHN CCCNC(=O)[C@@]1(COC)CCCCN1 ZINC000637875482 351744158 /nfs/dbraw/zinc/74/41/58/351744158.db2.gz GYVAOBWDHCMOEF-NSHDSACASA-N 0 3 214.309 0.671 20 0 BCADHN CCC(CC)CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000637906601 351776226 /nfs/dbraw/zinc/77/62/26/351776226.db2.gz BDSQLWJSBVUSSC-VHSXEESVSA-N 0 3 214.309 0.655 20 0 BCADHN CCN[C@@H](C)C(=O)NCCOCC(F)(F)F ZINC000637906923 351777018 /nfs/dbraw/zinc/77/70/18/351777018.db2.gz ZMJREXIXBOWJQN-ZETCQYMHSA-N 0 3 242.241 0.680 20 0 BCADHN CCN[C@@H](C)C(=O)NCCCC(=O)NC1CC1 ZINC000637929847 351804233 /nfs/dbraw/zinc/80/42/33/351804233.db2.gz HIZJMWQESJUKGW-VIFPVBQESA-N 0 3 241.335 0.159 20 0 BCADHN CO[C@H]1CN[C@](C)(C(=O)Nc2ccnn2C)C1 ZINC000637909992 351781666 /nfs/dbraw/zinc/78/16/66/351781666.db2.gz XPZPUIMJXPQNSL-KCJUWKMLSA-N 0 3 238.291 0.126 20 0 BCADHN CCN[C@@H](C)C(=O)N(CC(N)=O)C1CCCC1 ZINC000637912506 351786597 /nfs/dbraw/zinc/78/65/97/351786597.db2.gz DTQJYTFSZWPZMN-VIFPVBQESA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@@H](NC(=O)C(C)S(C)(=O)=O)C1CC1 ZINC000618863649 351788055 /nfs/dbraw/zinc/78/80/55/351788055.db2.gz CQTVIRGXBZDFJS-VXNVDRBHSA-N 0 3 233.333 0.724 20 0 BCADHN CCN[C@H](C)C(=O)N(C)Cc1cc(C)on1 ZINC000637928319 351804738 /nfs/dbraw/zinc/80/47/38/351804738.db2.gz BLDVCOCWVIOHAP-SECBINFHSA-N 0 3 225.292 0.939 20 0 BCADHN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000637916501 351791278 /nfs/dbraw/zinc/79/12/78/351791278.db2.gz CCHYGRGYJFRQSZ-VPOLOUISSA-N 0 3 226.320 0.798 20 0 BCADHN CCN[C@H](C)C(=O)NCC1CCOCC1 ZINC000637923678 351799222 /nfs/dbraw/zinc/79/92/22/351799222.db2.gz ANXWNFPVBSJWHE-SECBINFHSA-N 0 3 214.309 0.527 20 0 BCADHN CCN[C@H](C)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000637926558 351801140 /nfs/dbraw/zinc/80/11/40/351801140.db2.gz HQIMEFBUYDVINW-BBBLOLIVSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NCC(=O)NC(C)C ZINC000637892983 351761996 /nfs/dbraw/zinc/76/19/96/351761996.db2.gz WETGRIBUAROLMB-JTQLQIEISA-N 0 3 243.351 0.391 20 0 BCADHN O=c1c(CN2CC[C@@H](O)C2)cccn1C(F)F ZINC000637891034 351763052 /nfs/dbraw/zinc/76/30/52/351763052.db2.gz XMHSJGDETOIMRQ-SECBINFHSA-N 0 3 244.241 0.810 20 0 BCADHN CC(C)CN(C)Cc1cnc(N)nc1N ZINC000637893455 351764631 /nfs/dbraw/zinc/76/46/31/351764631.db2.gz IYWLTUARTDMZQF-UHFFFAOYSA-N 0 3 209.297 0.390 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCCCOCC1CC1 ZINC000637894229 351765308 /nfs/dbraw/zinc/76/53/08/351765308.db2.gz ZOBOPFOGBIZMHK-MNOVXSKESA-N 0 3 242.319 0.036 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1cnn(CC)c1 ZINC000637929607 351803185 /nfs/dbraw/zinc/80/31/85/351803185.db2.gz NDEOLPAWVZDDDX-QMMMGPOBSA-N 0 3 210.281 0.840 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCO[C@@H](CC)C1 ZINC000637902309 351774460 /nfs/dbraw/zinc/77/44/60/351774460.db2.gz FMMDZXRHUJHCDP-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CCCN(CC(=O)N(C)C)C(=O)[C@@H](C)NCC ZINC000637943823 351820816 /nfs/dbraw/zinc/82/08/16/351820816.db2.gz WZKYDHYQVIOVCR-SNVBAGLBSA-N 0 3 243.351 0.311 20 0 BCADHN CCCCN(CC(N)=O)C[C@]1(OC)CCOC1 ZINC000637945919 351821528 /nfs/dbraw/zinc/82/15/28/351821528.db2.gz JAVCMFVHMLCHSM-GFCCVEGCSA-N 0 3 244.335 0.379 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@@H](C)O1 ZINC000637950359 351824857 /nfs/dbraw/zinc/82/48/57/351824857.db2.gz COIOVVUCFYTZHP-CHWFTXMASA-N 0 3 242.319 0.129 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@H](C)COC ZINC000637950774 351825643 /nfs/dbraw/zinc/82/56/43/351825643.db2.gz GRNFYHQLXMFKOW-IUCAKERBSA-N 0 3 202.298 0.383 20 0 BCADHN C[C@@H](CNCCn1cccc1)S(C)(=O)=O ZINC000577841583 366079708 /nfs/dbraw/zinc/07/97/08/366079708.db2.gz XDOMXKXYTYBLAB-JTQLQIEISA-N 0 3 230.333 0.511 20 0 BCADHN CCNC(=O)CN(C)CCC[C@H]1CCO1 ZINC000637955987 351831871 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0 3 235.335 0.970 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)COCC1CC1 ZINC000638392350 352197788 /nfs/dbraw/zinc/19/77/88/352197788.db2.gz YKIZKLLGQZALGQ-NXEZZACHSA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@@H](CNCc1ncnn1C)N1CCCC1 ZINC000638354176 352168422 /nfs/dbraw/zinc/16/84/22/352168422.db2.gz JCFVQTKXSFSJRD-NSHDSACASA-N 0 3 237.351 0.779 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000638368470 352179622 /nfs/dbraw/zinc/17/96/22/352179622.db2.gz XAOHMVMRRPLTFT-ZDCRXTMVSA-N 0 3 224.304 0.407 20 0 BCADHN CN1CC[C@@H]2CCN(C(=O)[C@@H](O)C3CC3)[C@H]2C1 ZINC000613329183 363109166 /nfs/dbraw/zinc/10/91/66/363109166.db2.gz QIPOLFZBKZVVSZ-USWWRNFRSA-N 0 3 238.331 0.310 20 0 BCADHN CCN[C@H](C)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000638372083 352184858 /nfs/dbraw/zinc/18/48/58/352184858.db2.gz ZNYMXCXZPJQVDE-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000638375881 352185992 /nfs/dbraw/zinc/18/59/92/352185992.db2.gz CAYUSWXSCJBFAU-DAWVFNFOSA-N 0 3 224.304 0.407 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC=CCC1 ZINC000638382945 352192146 /nfs/dbraw/zinc/19/21/46/352192146.db2.gz ZACOYURMDIGSCG-AEJSXWLSSA-N 0 3 210.277 0.328 20 0 BCADHN CCOCCCCNCc1cnc(N)nc1N ZINC000638384740 352195268 /nfs/dbraw/zinc/19/52/68/352195268.db2.gz YJUHZKACHWDIEV-UHFFFAOYSA-N 0 3 239.323 0.208 20 0 BCADHN CN(C)[C@@H](CNCc1ncnn1C)C1CC1 ZINC000638389080 352195636 /nfs/dbraw/zinc/19/56/36/352195636.db2.gz DGUZLBGJYIZWDF-JTQLQIEISA-N 0 3 223.324 0.245 20 0 BCADHN CCN[C@H](C)C(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000638311227 352137971 /nfs/dbraw/zinc/13/79/71/352137971.db2.gz XYHQKDDPLNTBMG-SECBINFHSA-N 0 3 237.303 0.630 20 0 BCADHN C[C@@H]1C[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000638314148 352138854 /nfs/dbraw/zinc/13/88/54/352138854.db2.gz JGCJIPRSOHCGDP-VPOLOUISSA-N 0 3 242.319 0.034 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000638316144 352139586 /nfs/dbraw/zinc/13/95/86/352139586.db2.gz QGCQLRFUKSGMAB-HBNTYKKESA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@@H](CO)NCc1cc2c(cn1)OCCO2 ZINC000638315966 352139627 /nfs/dbraw/zinc/13/96/27/352139627.db2.gz ILMOEUFFIUSSIM-VIFPVBQESA-N 0 3 238.287 0.713 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCC(F)(F)C(F)F ZINC000638322636 352143954 /nfs/dbraw/zinc/14/39/54/352143954.db2.gz ZECYMKDMJYNPBW-UHNVWZDZSA-N 0 3 244.188 0.119 20 0 BCADHN Nc1ncc(CNCCC2CCCC2)c(N)n1 ZINC000638328455 352145912 /nfs/dbraw/zinc/14/59/12/352145912.db2.gz JHUNEGFXLGFKHG-UHFFFAOYSA-N 0 3 235.335 0.972 20 0 BCADHN CCN[C@H](C)C(=O)N(CC)c1cnn(C)c1 ZINC000638395960 352203222 /nfs/dbraw/zinc/20/32/22/352203222.db2.gz FZPWKZFFOXEPLU-SECBINFHSA-N 0 3 224.308 0.771 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000638395926 352203647 /nfs/dbraw/zinc/20/36/47/352203647.db2.gz ZRYKACZCRIYOHX-ICCXJUOJSA-N 0 3 248.326 0.759 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N[C@H](CO)C(C)C ZINC000638398690 352206322 /nfs/dbraw/zinc/20/63/22/352206322.db2.gz DINMGOKIAMDMKD-GHMZBOCLSA-N 0 3 230.352 0.883 20 0 BCADHN CCN[C@@H](C)C(=O)NCCC1CC(OC)C1 ZINC000638401140 352206822 /nfs/dbraw/zinc/20/68/22/352206822.db2.gz PEMUAMTVAHFURU-WHXUTIOJSA-N 0 3 228.336 0.916 20 0 BCADHN CC(C)CN(CCc1cn[nH]c1)CC(N)=O ZINC000290148659 352211586 /nfs/dbraw/zinc/21/15/86/352211586.db2.gz WJOPXYUGQBJFAH-UHFFFAOYSA-N 0 3 224.308 0.396 20 0 BCADHN CC1(C)CC(NC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638432055 352240900 /nfs/dbraw/zinc/24/09/00/352240900.db2.gz MPOOZSPKIXCZEV-DTWKUNHWSA-N 0 3 212.293 0.407 20 0 BCADHN CCN[C@@H](C)C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000638406757 352215729 /nfs/dbraw/zinc/21/57/29/352215729.db2.gz ZWDYOGBPLSBPCX-WCFLWFBJSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)CCN1CCN(CC(N)=O)CC1 ZINC000054978665 323738305 /nfs/dbraw/zinc/73/83/05/323738305.db2.gz FBIBDSBBKVGQHE-UHFFFAOYSA-N 0 3 213.325 0.135 20 0 BCADHN CCCN(C[C@@H]1CCCCO1)C(=O)CN ZINC000237013651 187632696 /nfs/dbraw/zinc/63/26/96/187632696.db2.gz MLHPVZWCDZCBRB-JTQLQIEISA-N 0 3 214.309 0.753 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCC(CC)(CO)CC1 ZINC000638446301 352256224 /nfs/dbraw/zinc/25/62/24/352256224.db2.gz NGVSPYUGKLBZBI-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CCn1nncc1CNC(=O)C1(N)CCCC1 ZINC000638450967 352258021 /nfs/dbraw/zinc/25/80/21/352258021.db2.gz UEWNBDMYPDGGBI-UHFFFAOYSA-N 0 3 237.307 0.186 20 0 BCADHN C[C@@H](NC(=O)[C@H](O)C1CC1)C1=CCN(C)CC1 ZINC000613375101 363150055 /nfs/dbraw/zinc/15/00/55/363150055.db2.gz LHPDQLGPJVDVRU-BXKDBHETSA-N 0 3 238.331 0.524 20 0 BCADHN C[C@H](NC(=O)[C@H](O)C1CC1)C1=CCN(C)CC1 ZINC000613375104 363150167 /nfs/dbraw/zinc/15/01/67/363150167.db2.gz LHPDQLGPJVDVRU-JOYOIKCWSA-N 0 3 238.331 0.524 20 0 BCADHN CN(C)C(=O)[C@@H]1CCCN1CCC1(O)CCC1 ZINC000411153144 191165214 /nfs/dbraw/zinc/16/52/14/191165214.db2.gz HVVOOWXHNPLZSC-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN Cn1ccc(CNC[C@H]2CCCOC2)n1 ZINC000112341965 180701514 /nfs/dbraw/zinc/70/15/14/180701514.db2.gz FZPZEGASWGJXNV-SNVBAGLBSA-N 0 3 209.293 0.936 20 0 BCADHN CCC[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1N)OCC ZINC000638457129 352267327 /nfs/dbraw/zinc/26/73/27/352267327.db2.gz JWPBDQGELCJXOL-GARJFASQSA-N 0 3 244.335 0.424 20 0 BCADHN CCN[C@H](C)C(=O)NCC[C@@H]1CCCOC1 ZINC000638454271 352267535 /nfs/dbraw/zinc/26/75/35/352267535.db2.gz FVQRYVGCVQWEJP-MNOVXSKESA-N 0 3 228.336 0.917 20 0 BCADHN C[C@H](N)C(=O)NCC[C@@H]1CCCOC1 ZINC000638458780 352269869 /nfs/dbraw/zinc/26/98/69/352269869.db2.gz VRQSUCBBMGFBLE-IUCAKERBSA-N 0 3 200.282 0.267 20 0 BCADHN C[C@@H](N)C(=O)NCC[C@@H]1CCCOC1 ZINC000638458778 352270104 /nfs/dbraw/zinc/27/01/04/352270104.db2.gz VRQSUCBBMGFBLE-BDAKNGLRSA-N 0 3 200.282 0.267 20 0 BCADHN CC[C@@H](N)C(=O)NCC[C@@H]1CCCOC1 ZINC000638456650 352270708 /nfs/dbraw/zinc/27/07/08/352270708.db2.gz KQWQDKYJXAUBPC-VHSXEESVSA-N 0 3 214.309 0.657 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000638460050 352272258 /nfs/dbraw/zinc/27/22/58/352272258.db2.gz PXBUAKQJCXJRNP-STQMWFEESA-N 0 3 248.326 0.981 20 0 BCADHN CCN[C@H](C)C(=O)NCc1ccnn1CC ZINC000638436754 352244285 /nfs/dbraw/zinc/24/42/85/352244285.db2.gz MRYHYROOQBNYIX-SECBINFHSA-N 0 3 224.308 0.517 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NCCOCCF ZINC000638436777 352244383 /nfs/dbraw/zinc/24/43/83/352244383.db2.gz NTJFXFVHECWFFV-SNVBAGLBSA-N 0 3 234.315 0.852 20 0 BCADHN C[C@H](CNCc1ncnn1C)Cn1ccnc1 ZINC000638438282 352245559 /nfs/dbraw/zinc/24/55/59/352245559.db2.gz UCRKHKBCLYDMEV-SNVBAGLBSA-N 0 3 234.307 0.438 20 0 BCADHN CN(C)CCNC(=O)c1ccc2cnccc2n1 ZINC000411166479 191166610 /nfs/dbraw/zinc/16/66/10/191166610.db2.gz UYFPXYFYPDCDCY-UHFFFAOYSA-N 0 3 244.298 0.921 20 0 BCADHN C[C@]1(NC(=O)c2cc(F)c[n-]c2=O)CC[NH2+]C1 ZINC000638438988 352248640 /nfs/dbraw/zinc/24/86/40/352248640.db2.gz FRTHMYDFGIBXGP-NSHDSACASA-N 0 3 239.250 0.408 20 0 BCADHN Oc1ccc(CN[C@H]2CCOC[C@H]2O)cc1 ZINC000628466942 358469928 /nfs/dbraw/zinc/46/99/28/358469928.db2.gz KYGIEWQZTNQCPO-NWDGAFQWSA-N 0 3 223.272 0.632 20 0 BCADHN C[C@H](N[C@H]1CC(=O)N(C)C1)[C@@H]1CC1(F)F ZINC000638477951 352286789 /nfs/dbraw/zinc/28/67/89/352286789.db2.gz SZMZWASLWUCELO-FXQIFTODSA-N 0 3 218.247 0.850 20 0 BCADHN CC[C@H](C)[C@H](CN[C@H]1CC(=O)N(C)C1)OC ZINC000638476070 352287629 /nfs/dbraw/zinc/28/76/29/352287629.db2.gz GOXGTOYCGACLFV-DCAQKATOSA-N 0 3 228.336 0.868 20 0 BCADHN Cc1cc(C(=O)N2CCNC[C@@H]2C(C)C)[nH]n1 ZINC000638484764 352295121 /nfs/dbraw/zinc/29/51/21/352295121.db2.gz RODNJPZKZAXRHL-LLVKDONJSA-N 0 3 236.319 0.788 20 0 BCADHN Cc1cc(C(=O)N2CCNC[C@@H]2C(C)C)n[nH]1 ZINC000638484764 352295125 /nfs/dbraw/zinc/29/51/25/352295125.db2.gz RODNJPZKZAXRHL-LLVKDONJSA-N 0 3 236.319 0.788 20 0 BCADHN CC(C)[C@H]1CNCCN1C(=O)[C@H](N)CC(F)F ZINC000638487630 352296357 /nfs/dbraw/zinc/29/63/57/352296357.db2.gz CEEJVKHXVDHLJP-RKDXNWHRSA-N 0 3 249.305 0.425 20 0 BCADHN CCN(CC)CC(=O)N1CCNC[C@@H]1C(C)C ZINC000638489667 352300549 /nfs/dbraw/zinc/30/05/49/352300549.db2.gz NIBGPTFDSTVMHE-GFCCVEGCSA-N 0 3 241.379 0.785 20 0 BCADHN Cc1ncc(C(=O)N2CCNC[C@H]2C(C)C)[nH]1 ZINC000638489763 352301600 /nfs/dbraw/zinc/30/16/00/352301600.db2.gz QADSNMYKKZXZSQ-NSHDSACASA-N 0 3 236.319 0.788 20 0 BCADHN Cc1nc([C@@H](C)N2CCN(C3CC3)CC2)n[nH]1 ZINC000411199337 191168904 /nfs/dbraw/zinc/16/89/04/191168904.db2.gz MZHYPVCLZGGYHQ-SECBINFHSA-N 0 3 235.335 0.954 20 0 BCADHN CCN(Cc1cnc2cnccn12)[C@H](C)CO ZINC000292762702 352328833 /nfs/dbraw/zinc/32/88/33/352328833.db2.gz JPBDZAQEFQPSHS-SNVBAGLBSA-N 0 3 234.303 0.932 20 0 BCADHN CCN(CCN)C(=O)c1cc(C(C)=O)cn1C ZINC000638521348 352355344 /nfs/dbraw/zinc/35/53/44/352355344.db2.gz HUDCUOIXHDJALV-UHFFFAOYSA-N 0 3 237.303 0.649 20 0 BCADHN CC1(C)OC[C@@H]2C[C@@]21NC(=O)[C@@H](N)CC(F)F ZINC000638511549 352336163 /nfs/dbraw/zinc/33/61/63/352336163.db2.gz FZMGGZHGSXXUND-OKTBNZSVSA-N 0 3 248.273 0.653 20 0 BCADHN CC1(C)OC[C@@H]2C[C@@]21NC(=O)[C@H](N)CC(F)F ZINC000638511547 352336210 /nfs/dbraw/zinc/33/62/10/352336210.db2.gz FZMGGZHGSXXUND-MVKOHCKWSA-N 0 3 248.273 0.653 20 0 BCADHN CCCCCC(=O)NC[C@](C)(O)CN(C)C ZINC000152990722 191180702 /nfs/dbraw/zinc/18/07/02/191180702.db2.gz ATFFGQPHRKCOSS-LBPRGKRZSA-N 0 3 230.352 0.996 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1CCCN1CC(F)F ZINC000638518213 352349685 /nfs/dbraw/zinc/34/96/85/352349685.db2.gz ZXJGUYUSJZULQE-SFYZADRCSA-N 0 3 235.278 0.179 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cnn(CCF)c1 ZINC000638534095 352367883 /nfs/dbraw/zinc/36/78/83/352367883.db2.gz HWCHWOZAYVRTEU-MRVPVSSYSA-N 0 3 214.244 0.528 20 0 BCADHN NCC(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000638534295 352367911 /nfs/dbraw/zinc/36/79/11/352367911.db2.gz XLAZSOFVRABNOY-LBPRGKRZSA-N 0 3 219.288 0.998 20 0 BCADHN C[C@H]1CN(CCNCc2ccns2)CCO1 ZINC000638567536 352394975 /nfs/dbraw/zinc/39/49/75/352394975.db2.gz OJFRYXJVYZVDSJ-JTQLQIEISA-N 0 3 241.360 0.953 20 0 BCADHN Cc1c(N)cccc1NC(=O)CN1CCNCC1 ZINC000638524791 352358380 /nfs/dbraw/zinc/35/83/80/352358380.db2.gz SDRIQTWWWKCNLX-UHFFFAOYSA-N 0 3 248.330 0.421 20 0 BCADHN CCOCC[C@H](O)CN1CCSCC1 ZINC000434635045 191197595 /nfs/dbraw/zinc/19/75/95/191197595.db2.gz 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CN(C)S(=O)(=O)CCN1C[C@H]2CCC[C@@H]2C1 ZINC000334210726 352807545 /nfs/dbraw/zinc/80/75/45/352807545.db2.gz OGAMXVMABUOAGA-GHMZBOCLSA-N 0 3 246.376 0.610 20 0 BCADHN CC[C@H](C(=O)N1CCN2CCC1CC2)N(C)C ZINC000334238926 352857992 /nfs/dbraw/zinc/85/79/92/352857992.db2.gz UBHKMMFVJLUVCP-GFCCVEGCSA-N 0 3 239.363 0.633 20 0 BCADHN COC(=O)[C@@H]1CSCCN(CCCO)C1 ZINC000412063395 191256132 /nfs/dbraw/zinc/25/61/32/191256132.db2.gz CBZRBRHGCIUWJG-VIFPVBQESA-N 0 3 233.333 0.207 20 0 BCADHN CCN1CC[C@H]2OCCN(C(C)=O)[C@H]2C1 ZINC000334249765 352842519 /nfs/dbraw/zinc/84/25/19/352842519.db2.gz ZHTRDTANPYQSON-WDEREUQCSA-N 0 3 212.293 0.328 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCO1 ZINC000334228147 352845441 /nfs/dbraw/zinc/84/54/41/352845441.db2.gz NYYGQZOLTXMRAI-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN CN1CCCC[C@H]1CCN1CCS(=O)CC1 ZINC000334269354 352905695 /nfs/dbraw/zinc/90/56/95/352905695.db2.gz QPKYHBUOGFBQBB-LBPRGKRZSA-N 0 3 244.404 0.925 20 0 BCADHN CCOC(=O)[C@@H](CC)C(=O)NCCN(C)CC ZINC000412110573 191258406 /nfs/dbraw/zinc/25/84/06/191258406.db2.gz DVZZVQSVLVZWJP-JTQLQIEISA-N 0 3 244.335 0.644 20 0 BCADHN CN(CCNC(=O)[C@@H]1NCC1(C)C)CC(F)F ZINC000638797006 352909934 /nfs/dbraw/zinc/90/99/34/352909934.db2.gz YIHSLZCXHLGINY-VIFPVBQESA-N 0 3 249.305 0.298 20 0 BCADHN COC[C@]1(C)CN(C(=O)C2(N)CCC2)CCO1 ZINC000638797324 352914191 /nfs/dbraw/zinc/91/41/91/352914191.db2.gz PNHPBFZITCLDBG-NSHDSACASA-N 0 3 242.319 0.132 20 0 BCADHN C[C@@H]1CCN(CCNS(C)(=O)=O)CC1(C)C ZINC000334289463 352928511 /nfs/dbraw/zinc/92/85/11/352928511.db2.gz AXFXKQMXGKYNRQ-SNVBAGLBSA-N 0 3 248.392 0.904 20 0 BCADHN CCOCCC(=O)NCCNc1ccncc1 ZINC000342861616 352879579 /nfs/dbraw/zinc/87/95/79/352879579.db2.gz YHIGJEOAHKXTNN-UHFFFAOYSA-N 0 3 237.303 0.458 20 0 BCADHN CN(CCNC(=O)[C@@H](N)C1CCC1)CC(F)F ZINC000638795268 352884831 /nfs/dbraw/zinc/88/48/31/352884831.db2.gz NUGUOMHXAXIWKC-JTQLQIEISA-N 0 3 249.305 0.427 20 0 BCADHN CC(C)[C@@H]1CN([C@H]2CCNC2=O)CCCO1 ZINC000334253352 352890022 /nfs/dbraw/zinc/89/00/22/352890022.db2.gz JVKDRVBWOLTDIH-QWRGUYRKSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1ccc([O-])c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000091996231 538105789 /nfs/dbraw/zinc/10/57/89/538105789.db2.gz BLMXAJHMYQDFCR-QWRGUYRKSA-N 0 3 233.315 0.747 20 0 BCADHN Cc1nnc(N(C)CCN(C)C2CC2)o1 ZINC000342887074 352895462 /nfs/dbraw/zinc/89/54/62/352895462.db2.gz ZPLCDQSZRISWHM-UHFFFAOYSA-N 0 3 210.281 0.908 20 0 BCADHN CN(C)CC(=O)N(C)C1CCN(C)CC1 ZINC000334262937 352896344 /nfs/dbraw/zinc/89/63/44/352896344.db2.gz JEKZTILFGTUCDK-UHFFFAOYSA-N 0 3 213.325 0.101 20 0 BCADHN Nc1c(F)cccc1CNC[C@]1(O)CCOC1 ZINC000638805121 352979486 /nfs/dbraw/zinc/97/94/86/352979486.db2.gz FCBBIKVNQQRRCJ-GFCCVEGCSA-N 0 3 240.278 0.649 20 0 BCADHN COCCNCC(=O)NC[C@H]1CCCC12CC2 ZINC000638805103 352979497 /nfs/dbraw/zinc/97/94/97/352979497.db2.gz DSJZBQJXCFDYGR-LLVKDONJSA-N 0 3 240.347 0.919 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H](CO)[C@@H]1C ZINC000412097592 191260647 /nfs/dbraw/zinc/26/06/47/191260647.db2.gz VFMXYXOIINVFDZ-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CNS(=O)(=O)C1CCN(C[C@H]2C[C@@H]2C)CC1 ZINC000334350107 352981876 /nfs/dbraw/zinc/98/18/76/352981876.db2.gz AVXGYPBXFUBHAJ-VHSXEESVSA-N 0 3 246.376 0.656 20 0 BCADHN CCN[C@@H](C)C(=O)NCCN(C)CC(F)F ZINC000638808937 352985248 /nfs/dbraw/zinc/98/52/48/352985248.db2.gz VPUAUPDRUAGBPR-QMMMGPOBSA-N 0 3 237.294 0.298 20 0 BCADHN COCCNCC(=O)NCC(C)(C)F ZINC000638813374 352993982 /nfs/dbraw/zinc/99/39/82/352993982.db2.gz WSUMDPGAQLHBNX-UHFFFAOYSA-N 0 3 206.261 0.087 20 0 BCADHN O=C(CCCCO)N1CC[C@H](N2CCCC2)C1 ZINC000092174765 538106389 /nfs/dbraw/zinc/10/63/89/538106389.db2.gz IVOPVCRINZLTNV-LBPRGKRZSA-N 0 3 240.347 0.846 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000638809145 352986105 /nfs/dbraw/zinc/98/61/05/352986105.db2.gz QJUXMRHXWHEDAR-KXUCPTDWSA-N 0 3 228.336 0.901 20 0 BCADHN C[C@@H]1[C@@H](C)N(Cc2ccnn2C)CCN1C ZINC000334309563 352941708 /nfs/dbraw/zinc/94/17/08/352941708.db2.gz IQZLYXQFEWAZMO-GHMZBOCLSA-N 0 3 222.336 0.945 20 0 BCADHN CC(C)(F)CNC(=O)COC1(C)CNC1 ZINC000638813352 352993867 /nfs/dbraw/zinc/99/38/67/352993867.db2.gz WGBSWLBNXFKFBB-UHFFFAOYSA-N 0 3 218.272 0.229 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N2CCC2)CCN1C ZINC000334312004 352943491 /nfs/dbraw/zinc/94/34/91/352943491.db2.gz KOFYXZZSYKZCBR-NXEZZACHSA-N 0 3 211.309 0.884 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCN(C)C[C@H]1C)N(C)C ZINC000334314281 352945425 /nfs/dbraw/zinc/94/54/25/352945425.db2.gz MBZHWEBJRRZMTF-NEPJUHHUSA-N 0 3 241.379 0.735 20 0 BCADHN CC(C)(F)CNC(=O)C[C@@H]1CSCCN1 ZINC000638812710 352991832 /nfs/dbraw/zinc/99/18/32/352991832.db2.gz IJMAZHOQCVPXLE-MRVPVSSYSA-N 0 3 234.340 0.946 20 0 BCADHN C[C@@H](C1CC1)N(C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638852130 353023913 /nfs/dbraw/zinc/02/39/13/353023913.db2.gz AFFLUTNCPWMOAW-UJNFCWOMSA-N 0 3 212.293 0.360 20 0 BCADHN CNCC(=O)NCCOc1cncc(Cl)c1 ZINC000638854735 353024252 /nfs/dbraw/zinc/02/42/52/353024252.db2.gz XPTYGPILEAGGBX-UHFFFAOYSA-N 0 3 243.694 0.449 20 0 BCADHN Cc1c[nH]c(NC(=O)[C@@H]2CCCCN2)n1 ZINC000638854061 353025124 /nfs/dbraw/zinc/02/51/24/353025124.db2.gz NARKXLIERLKHMR-QMMMGPOBSA-N 0 3 208.265 0.799 20 0 BCADHN CCNC(=O)CNC[C@@H](OC)C1CCOCC1 ZINC000638847108 353026994 /nfs/dbraw/zinc/02/69/94/353026994.db2.gz KASPQDJOEXFMFG-LLVKDONJSA-N 0 3 244.335 0.154 20 0 BCADHN CCNC(=O)CN[C@@H](C)Cc1cnccn1 ZINC000638846780 353027182 /nfs/dbraw/zinc/02/71/82/353027182.db2.gz COGVSZPPRIVMAR-VIFPVBQESA-N 0 3 222.292 0.133 20 0 BCADHN CN(C)c1cncc(NC(=O)[C@H]2CCN2)c1 ZINC000638847955 353027662 /nfs/dbraw/zinc/02/76/62/353027662.db2.gz URWUWSUCJYWAMV-SNVBAGLBSA-N 0 3 220.276 0.448 20 0 BCADHN C[C@@H](N)C(=O)Nc1cncc(N(C)C)c1 ZINC000638848500 353028639 /nfs/dbraw/zinc/02/86/39/353028639.db2.gz YUDNMRKYWGXLMA-SSDOTTSWSA-N 0 3 208.265 0.433 20 0 BCADHN CCc1nn(C)cc1CNCC1(O)CCC1 ZINC000092391785 538106761 /nfs/dbraw/zinc/10/67/61/538106761.db2.gz PSUBOWBYXCLJLJ-UHFFFAOYSA-N 0 3 223.320 0.987 20 0 BCADHN CCc1nn(C)cc1CNCC1(CO)CC1 ZINC000092410299 538106800 /nfs/dbraw/zinc/10/68/00/538106800.db2.gz KZTGMAZBGICUQO-UHFFFAOYSA-N 0 3 223.320 0.845 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@@H](N)CC(C)C)C1=O ZINC000638822699 353003379 /nfs/dbraw/zinc/00/33/79/353003379.db2.gz BLTACGDBKMQSJO-VHSXEESVSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CCN(CC)C1=O ZINC000638825177 353005894 /nfs/dbraw/zinc/00/58/94/353005894.db2.gz MVDOUNPPRPCXKB-BBBLOLIVSA-N 0 3 241.335 0.097 20 0 BCADHN O=C(C[C@H]1CNCCO1)N[C@H]1CCCC12CC2 ZINC000638831184 353011196 /nfs/dbraw/zinc/01/11/96/353011196.db2.gz JKRZUXLTEAICAJ-QWRGUYRKSA-N 0 3 238.331 0.814 20 0 BCADHN COCCNCC(=O)N[C@H]1CCCC12CC2 ZINC000638832198 353012583 /nfs/dbraw/zinc/01/25/83/353012583.db2.gz PKPYIXVNHPGPCM-JTQLQIEISA-N 0 3 226.320 0.671 20 0 BCADHN COCCNCC(=O)N[C@@H]1CCCC12CC2 ZINC000638832199 353012719 /nfs/dbraw/zinc/01/27/19/353012719.db2.gz PKPYIXVNHPGPCM-SNVBAGLBSA-N 0 3 226.320 0.671 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCC12CC2 ZINC000638832386 353013517 /nfs/dbraw/zinc/01/35/17/353013517.db2.gz HVWFFOAKPAPRCR-BBBLOLIVSA-N 0 3 224.304 0.552 20 0 BCADHN CO[C@H](CN[C@@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000638897301 353058149 /nfs/dbraw/zinc/05/81/49/353058149.db2.gz GBKFOQYSBIEHRM-ZYHUDNBSSA-N 0 3 238.331 0.764 20 0 BCADHN O=c1c(CNC2(CO)CC2)cccn1C(F)F ZINC000638898130 353061220 /nfs/dbraw/zinc/06/12/20/353061220.db2.gz IGFNZPWXEAKDMB-UHFFFAOYSA-N 0 3 244.241 0.858 20 0 BCADHN COc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1[O-] ZINC000638916040 353076863 /nfs/dbraw/zinc/07/68/63/353076863.db2.gz VREUMTRLZBEETE-IUCAKERBSA-N 0 3 248.282 0.587 20 0 BCADHN CO[C@H](CNCC(=O)N(C)C)CC(C)C ZINC000638864922 353039256 /nfs/dbraw/zinc/03/92/56/353039256.db2.gz DDUUHIMAWDIEOV-JTQLQIEISA-N 0 3 216.325 0.725 20 0 BCADHN Cc1ncc(CNCC2([S@](C)=O)CC2)cn1 ZINC000309883143 188000425 /nfs/dbraw/zinc/00/04/25/188000425.db2.gz WNDZSWRRSKMOEB-INIZCTEOSA-N 0 3 239.344 0.786 20 0 BCADHN CC(=O)N1CCCN(C[C@H](O)C(C)C)CC1 ZINC000300853757 188001122 /nfs/dbraw/zinc/00/11/22/188001122.db2.gz HTQRVQNCLQAASJ-LBPRGKRZSA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)[C@H](O)CN1CCC[C@](F)(CO)C1 ZINC000368639602 188003507 /nfs/dbraw/zinc/00/35/07/188003507.db2.gz WLQZBOIJCDXXMZ-GHMZBOCLSA-N 0 3 219.300 0.800 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000119683076 188002553 /nfs/dbraw/zinc/00/25/53/188002553.db2.gz TVQMYAUEMCTTLU-JQWIXIFHSA-N 0 3 226.320 0.609 20 0 BCADHN C[C@@H]1SCC[C@H]1NC(=O)C(C)(C)N ZINC000307729564 353115087 /nfs/dbraw/zinc/11/50/87/353115087.db2.gz HHPGXXZOKPBTRG-NKWVEPMBSA-N 0 3 202.323 0.734 20 0 BCADHN C[C@H]1SCC[C@H]1NC(=O)C(C)(C)N ZINC000307729567 353115157 /nfs/dbraw/zinc/11/51/57/353115157.db2.gz HHPGXXZOKPBTRG-RNFRBKRXSA-N 0 3 202.323 0.734 20 0 BCADHN CCCn1ccnc1CCCN(C)CC(N)=O ZINC000191480274 188003186 /nfs/dbraw/zinc/00/31/86/188003186.db2.gz JNBGLZFPFBBYJL-UHFFFAOYSA-N 0 3 238.335 0.643 20 0 BCADHN CCCCCN1CCN(CC(=O)OC)CC1 ZINC000355280371 168696168 /nfs/dbraw/zinc/69/61/68/168696168.db2.gz NCAGJWWLZIPJDI-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN CC(=O)N1CCN(C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000334424465 353103172 /nfs/dbraw/zinc/10/31/72/353103172.db2.gz WLCLQRIOYYNRQX-WCQYABFASA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@H](O)c1ccsc1 ZINC000225520072 188010369 /nfs/dbraw/zinc/01/03/69/188010369.db2.gz NCNLJFCAMDNSRZ-UWVGGRQHSA-N 0 3 242.344 0.881 20 0 BCADHN CC(C)N(Cc1cccnc1)C[C@H](O)CO ZINC000336672514 188011223 /nfs/dbraw/zinc/01/12/23/188011223.db2.gz KKNZSDIQKMTHRB-LBPRGKRZSA-N 0 3 224.304 0.645 20 0 BCADHN Cc1n[nH]cc1CNCCN1CCSCC1 ZINC000226247298 188011313 /nfs/dbraw/zinc/01/13/13/188011313.db2.gz COOAYTSXVDMINM-UHFFFAOYSA-N 0 3 240.376 0.857 20 0 BCADHN C(CN1CCN(C2CC2)CC1)N1CCOCC1 ZINC000336675654 188011600 /nfs/dbraw/zinc/01/16/00/188011600.db2.gz AGIFDXWVNDLJSE-UHFFFAOYSA-N 0 3 239.363 0.099 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)[C@@H](C)CN1 ZINC000227355776 188011991 /nfs/dbraw/zinc/01/19/91/188011991.db2.gz MDWDDZIFHQPZAK-ZJUUUORDSA-N 0 3 249.314 0.208 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)c1cc(Cl)c[nH]1 ZINC000227785043 188012531 /nfs/dbraw/zinc/01/25/31/188012531.db2.gz KTMLOSZESNFTFW-QMMMGPOBSA-N 0 3 243.694 0.386 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CCOC1 ZINC000337120363 188013795 /nfs/dbraw/zinc/01/37/95/188013795.db2.gz YTDZXBOHYBKNHR-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCc1nccs1 ZINC000063135317 188015220 /nfs/dbraw/zinc/01/52/20/188015220.db2.gz KFSNAWUKSKAHNW-VIFPVBQESA-N 0 3 227.333 0.785 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@H](OC)C1)N(C)C ZINC000338960240 188018373 /nfs/dbraw/zinc/01/83/73/188018373.db2.gz DOHHAPTXMZLCCO-UWVGGRQHSA-N 0 3 214.309 0.574 20 0 BCADHN CNC(=O)[C@@H](NC[C@@H](O)CSC)C(C)C ZINC000188226848 353130112 /nfs/dbraw/zinc/13/01/12/353130112.db2.gz ICUSHADWLRPUAB-BDAKNGLRSA-N 0 3 234.365 0.071 20 0 BCADHN C1=CCN([C@@H]2CCN(c3cnccn3)C2)C1 ZINC000266199248 188022021 /nfs/dbraw/zinc/02/20/21/188022021.db2.gz DFRGRVSCXDMHNM-LLVKDONJSA-N 0 3 216.288 0.927 20 0 BCADHN Cc1cnc(C)c(N2CC(N(C)C)C2)n1 ZINC000273819485 188027054 /nfs/dbraw/zinc/02/70/54/188027054.db2.gz CNQGNKSXDKFNHH-UHFFFAOYSA-N 0 3 206.293 0.844 20 0 BCADHN CN(C(=O)C=Cc1c[nH]cn1)[C@@H]1CCCN(C)C1 ZINC000276639395 188028777 /nfs/dbraw/zinc/02/87/77/188028777.db2.gz UVJHTUPRUJUCHX-BTDICHCPSA-N 0 3 248.330 0.976 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)CCOC2CNC2)[C@@H](C)O1 ZINC000638943043 353140768 /nfs/dbraw/zinc/14/07/68/353140768.db2.gz FYFWNSVXSJMXRJ-FXPVBKGRSA-N 0 3 242.319 0.047 20 0 BCADHN CN1CC[C@@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 ZINC000334474987 353119192 /nfs/dbraw/zinc/11/91/92/353119192.db2.gz NKJADDYIEWWHFU-CYBMUJFWSA-N 0 3 236.315 0.520 20 0 BCADHN CC(C)N(C)C(=O)CN[C@H](C)Cn1cccn1 ZINC000042540512 188042480 /nfs/dbraw/zinc/04/24/80/188042480.db2.gz VSDZKRZXZVMUFU-LLVKDONJSA-N 0 3 238.335 0.728 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CCN2CCC[C@H]2C1 ZINC000040467850 188043286 /nfs/dbraw/zinc/04/32/86/188043286.db2.gz PXOREVCROWYVFH-WDEREUQCSA-N 0 3 239.363 0.666 20 0 BCADHN CC(=O)NCCCN[C@@H](C)c1ccnn1C ZINC000192631230 188004441 /nfs/dbraw/zinc/00/44/41/188004441.db2.gz JIYIGQNVKWEINZ-VIFPVBQESA-N 0 3 224.308 0.597 20 0 BCADHN CC(C)N(C)CC(=O)NCc1ccn(C)n1 ZINC000330590020 188046507 /nfs/dbraw/zinc/04/65/07/188046507.db2.gz UVOMEGZKRYFISE-UHFFFAOYSA-N 0 3 224.308 0.377 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCOCC1 ZINC000183056420 188049775 /nfs/dbraw/zinc/04/97/75/188049775.db2.gz LDSRWWIDRBANND-ZJUUUORDSA-N 0 3 214.309 0.655 20 0 BCADHN Cc1nn(C(C)C)cc1CNC[C@@H](O)CO ZINC000281440031 188049837 /nfs/dbraw/zinc/04/98/37/188049837.db2.gz SAMBOMCMFSLQOE-LLVKDONJSA-N 0 3 227.308 0.215 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCOC1 ZINC000134273298 188050077 /nfs/dbraw/zinc/05/00/77/188050077.db2.gz PXAOOSBNTGNVIH-BDAKNGLRSA-N 0 3 200.282 0.217 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@](C)(CO)C(C)C ZINC000332476509 188052857 /nfs/dbraw/zinc/05/28/57/188052857.db2.gz ALGAHNMBIOLDID-LBPRGKRZSA-N 0 3 230.352 0.850 20 0 BCADHN C([C@H]1CCOC1)N1CCO[C@@]2(CCCOC2)C1 ZINC000352360878 188055321 /nfs/dbraw/zinc/05/53/21/188055321.db2.gz IIKKWOVQMGSSKP-OLZOCXBDSA-N 0 3 241.331 0.904 20 0 BCADHN CC1(C)CN(CCN2CCCC2=O)CC[C@H]1O ZINC000336321788 188055533 /nfs/dbraw/zinc/05/55/33/188055533.db2.gz SUQXNNZHXUTIOY-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN CC(C)N(C)CC(=O)N1CCOCC2(CC2)C1 ZINC000336378789 188055836 /nfs/dbraw/zinc/05/58/36/188055836.db2.gz ATEGXWVRYDQQGA-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN C=Cn1cc(CNCCC[S@@](C)=O)cn1 ZINC000194355662 188057857 /nfs/dbraw/zinc/05/78/57/188057857.db2.gz OOGYWCFCWBHEPW-OAHLLOKOSA-N 0 3 227.333 0.842 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CCC(C(N)=O)CC1 ZINC000037619223 358475490 /nfs/dbraw/zinc/47/54/90/358475490.db2.gz JAWDYDUEHUISNO-SNVBAGLBSA-N 0 3 241.335 0.228 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCCn1ccnc1 ZINC000037619391 358475131 /nfs/dbraw/zinc/47/51/31/358475131.db2.gz PYENNXVIAFAGJE-LLVKDONJSA-N 0 3 238.335 0.907 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@H]1CCCCNC1=O ZINC000037619997 358475261 /nfs/dbraw/zinc/47/52/61/358475261.db2.gz MAYOWIZSZQYGBJ-ZJUUUORDSA-N 0 3 241.335 0.289 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)[C@@H](N)C(C)C ZINC000225448247 363204535 /nfs/dbraw/zinc/20/45/35/363204535.db2.gz QJYKKRWTWHYQQE-ZJUUUORDSA-N 0 3 216.325 0.493 20 0 BCADHN CC(C)N(C)CC(=O)N(C)[C@@H]1CCC[C@@H]1O ZINC000341790097 188044573 /nfs/dbraw/zinc/04/45/73/188044573.db2.gz NUCRWXHDPIBKRF-MNOVXSKESA-N 0 3 228.336 0.698 20 0 BCADHN CC(C)N(C)CC(=O)NCC1(O)CCCC1 ZINC000304099400 188044900 /nfs/dbraw/zinc/04/49/00/188044900.db2.gz GRMAIJSFJSLNRO-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN Cn1nncc1CNCC(C)(C)CCO ZINC000227127313 180869085 /nfs/dbraw/zinc/86/90/85/180869085.db2.gz MCKLJOABPSEGNA-UHFFFAOYSA-N 0 3 212.297 0.313 20 0 BCADHN CCOC[C@H](C)N[C@@H](C)C(=O)N(C)CC ZINC000188490876 353174432 /nfs/dbraw/zinc/17/44/32/353174432.db2.gz AZNFYRGNNHYCDF-UWVGGRQHSA-N 0 3 216.325 0.868 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)CNC(N)=O ZINC000330693482 353177635 /nfs/dbraw/zinc/17/76/35/353177635.db2.gz YIECFOUYLBDAHJ-SECBINFHSA-N 0 3 242.323 0.059 20 0 BCADHN CCCC[C@@H](N)C(=O)NCC(F)(F)CN ZINC000336757424 353159967 /nfs/dbraw/zinc/15/99/67/353159967.db2.gz YZFRNMBAISNCCO-SSDOTTSWSA-N 0 3 223.267 0.214 20 0 BCADHN CC(C)CN(C)[C@@H](C)C(=O)NC(N)=O ZINC000049442566 353165312 /nfs/dbraw/zinc/16/53/12/353165312.db2.gz BTEAEAKLFSGVEJ-ZETCQYMHSA-N 0 3 201.270 0.158 20 0 BCADHN COCCN1CCC[C@@H](NC(=O)NC(C)C)C1 ZINC000398853402 353179626 /nfs/dbraw/zinc/17/96/26/353179626.db2.gz SIBZJJJAVWIHQE-LLVKDONJSA-N 0 3 243.351 0.805 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@H]1CCOC1 ZINC000188503282 353181368 /nfs/dbraw/zinc/18/13/68/353181368.db2.gz HXSPLPQJENONLA-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN O=C(CN1CCNCC1)N[C@]12C[C@H]1CCCC2 ZINC000638975194 353182334 /nfs/dbraw/zinc/18/23/34/353182334.db2.gz YDVQRRQHVWYHGP-DGCLKSJQSA-N 0 3 237.347 0.341 20 0 BCADHN CC1(C)CN(C(=O)COc2cccnc2)CCN1 ZINC000331056476 353213825 /nfs/dbraw/zinc/21/38/25/353213825.db2.gz PTYUBUFKFWPQMJ-UHFFFAOYSA-N 0 3 249.314 0.671 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000087790824 535207469 /nfs/dbraw/zinc/20/74/69/535207469.db2.gz URHFMIIWXFIWEX-DOLQZWNJSA-N 0 3 212.293 0.406 20 0 BCADHN CCC(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638987057 353216406 /nfs/dbraw/zinc/21/64/06/353216406.db2.gz JOQBUIBIJZPRSZ-UHFFFAOYSA-N 0 3 234.303 0.840 20 0 BCADHN C[C@H](CC1CCC1)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638996299 353232359 /nfs/dbraw/zinc/23/23/59/353232359.db2.gz KWMKVPZUWMXNGZ-DVVUODLYSA-N 0 3 226.320 0.798 20 0 BCADHN NC1(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000353762962 353235557 /nfs/dbraw/zinc/23/55/57/353235557.db2.gz ZDEQGUVJXQSWNO-SNVBAGLBSA-N 0 3 246.314 0.268 20 0 BCADHN CC(C)CC[C@H](O)CN1C[C@@H](O)C[C@H]1CO ZINC000331112772 353220417 /nfs/dbraw/zinc/22/04/17/353220417.db2.gz KCSVKYJTAKOXEL-SRVKXCTJSA-N 0 3 231.336 0.211 20 0 BCADHN C[C@H](CC1CCC1)NC(=O)CN1CCNCC1 ZINC000638993667 353227009 /nfs/dbraw/zinc/22/70/09/353227009.db2.gz AYCXYJJAVHTGQI-LLVKDONJSA-N 0 3 239.363 0.587 20 0 BCADHN CN1CC=C(CNC(=O)COCC2CC2)CC1 ZINC000343258547 353254152 /nfs/dbraw/zinc/25/41/52/353254152.db2.gz VCNWJZAZRKYMJH-UHFFFAOYSA-N 0 3 238.331 0.791 20 0 BCADHN CN1CC=C(CNC(=O)C[C@H]2CCOC2)CC1 ZINC000343257736 353254218 /nfs/dbraw/zinc/25/42/18/353254218.db2.gz SMEVKQRRPJSQSJ-GFCCVEGCSA-N 0 3 238.331 0.791 20 0 BCADHN CNCC(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000638998070 353240406 /nfs/dbraw/zinc/24/04/06/353240406.db2.gz DWLOQFSUINEXCJ-PWSUYJOCSA-N 0 3 226.320 0.670 20 0 BCADHN CC[C@@H](O)CC(=O)N[C@@H]1CCCN(CC)C1 ZINC000331330133 353241079 /nfs/dbraw/zinc/24/10/79/353241079.db2.gz QRQZWZRSOKOGKB-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@@H](O)CC(=O)NCCN1CCC(C)CC1 ZINC000331303970 353243761 /nfs/dbraw/zinc/24/37/61/353243761.db2.gz DCNMTXIDRSQBFM-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN NCC(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000639018824 353274478 /nfs/dbraw/zinc/27/44/78/353274478.db2.gz XJGISCGOJSVWML-VIFPVBQESA-N 0 3 214.215 0.911 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NCC(C)(C)C(N)=O ZINC000134820056 538113801 /nfs/dbraw/zinc/11/38/01/538113801.db2.gz VDGHPTTWRFDJKX-ZETCQYMHSA-N 0 3 224.308 0.880 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)C[C@@H]1CCCO1 ZINC000157221847 353261151 /nfs/dbraw/zinc/26/11/51/353261151.db2.gz QKFYMQPWPWPHCG-YIZRAAEISA-N 0 3 200.282 0.407 20 0 BCADHN CCN[C@H](C)C(=O)NC1(C)CCOCC1 ZINC000639014178 353267620 /nfs/dbraw/zinc/26/76/20/353267620.db2.gz XBGYOLOUUICPNN-SECBINFHSA-N 0 3 214.309 0.670 20 0 BCADHN CNC(=O)N[C@H]1CCCN(CCOC)C1 ZINC000398863885 353268094 /nfs/dbraw/zinc/26/80/94/353268094.db2.gz ZVZRIQOOXROBRX-VIFPVBQESA-N 0 3 215.297 0.026 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)NC[C@H]1CCCN1C ZINC000353311254 188234678 /nfs/dbraw/zinc/23/46/78/188234678.db2.gz HGCPZKHCNRUUMI-ZYHUDNBSSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)[C@H](O)CN1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000367924580 188246717 /nfs/dbraw/zinc/24/67/17/188246717.db2.gz KCFUANSMXNKPOQ-JHJVBQTASA-N 0 3 243.347 0.883 20 0 BCADHN CC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000370426521 188248331 /nfs/dbraw/zinc/24/83/31/188248331.db2.gz YJDHWHAWCWOILH-ZDUSSCGKSA-N 0 3 239.363 0.633 20 0 BCADHN CC[C@H](O)[C@H]1CCCCN1CC(N)=O ZINC000304089012 188250344 /nfs/dbraw/zinc/25/03/44/188250344.db2.gz ANUFPNHKARSNGF-BDAKNGLRSA-N 0 3 200.282 0.097 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](O)C1 ZINC000304503730 188250870 /nfs/dbraw/zinc/25/08/70/188250870.db2.gz RKRSFYOLDWLYFE-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN O=c1[n-]nc(CN2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000377753597 188252357 /nfs/dbraw/zinc/25/23/57/188252357.db2.gz IMCDPSVQHOAEEQ-QMMMGPOBSA-N 0 3 240.332 0.524 20 0 BCADHN O=c1[n-]nc(CN2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000377753597 188252358 /nfs/dbraw/zinc/25/23/58/188252358.db2.gz IMCDPSVQHOAEEQ-QMMMGPOBSA-N 0 3 240.332 0.524 20 0 BCADHN C=Cn1cc(CNC[C@]2(O)CCO[C@@H]2C)cn1 ZINC000227973365 188254072 /nfs/dbraw/zinc/25/40/72/188254072.db2.gz LXMPHNVNSJXKLU-ZYHUDNBSSA-N 0 3 237.303 0.613 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCN2C(=O)CC[C@@H]2C1 ZINC000310174681 188254743 /nfs/dbraw/zinc/25/47/43/188254743.db2.gz QVISUWLEFJHGNN-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN Cc1cccc(CN(C)C(=O)C(=O)NCCN)c1 ZINC000042435674 188257068 /nfs/dbraw/zinc/25/70/68/188257068.db2.gz KVWSBZUUCSQFRY-UHFFFAOYSA-N 0 3 249.314 0.028 20 0 BCADHN CC(C)COCCN1C[C@@H](C)[C@H](O)C1 ZINC000337328348 188257579 /nfs/dbraw/zinc/25/75/79/188257579.db2.gz YQHNDOBAIACGQP-GHMZBOCLSA-N 0 3 201.310 0.972 20 0 BCADHN CC(C)N1CC[C@@H](N2CCC[C@@](C)(O)C2)C1=O ZINC000124575458 188257659 /nfs/dbraw/zinc/25/76/59/188257659.db2.gz VAPJGZCMEGFOPH-DGCLKSJQSA-N 0 3 240.347 0.843 20 0 BCADHN C=Cn1cc(CNCCCNC(C)=O)cn1 ZINC000194191520 188258904 /nfs/dbraw/zinc/25/89/04/188258904.db2.gz BBUODFMCDQOAIX-UHFFFAOYSA-N 0 3 222.292 0.599 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000122327129 324038317 /nfs/dbraw/zinc/03/83/17/324038317.db2.gz PJVQQEQSEFYFEB-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN OCCCN(CCO)CCc1cccnc1 ZINC000265097027 188261253 /nfs/dbraw/zinc/26/12/53/188261253.db2.gz CMHLKCUSZKPRGD-UHFFFAOYSA-N 0 3 224.304 0.301 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCn2nccc21 ZINC000639034722 353308007 /nfs/dbraw/zinc/30/80/07/353308007.db2.gz LPLCSABFYLTWNV-VIFPVBQESA-N 0 3 220.276 0.228 20 0 BCADHN O=C(N1CCn2nccc21)C1(NC2CC2)CCC1 ZINC000639035025 353308380 /nfs/dbraw/zinc/30/83/80/353308380.db2.gz RBVSVUDVXDDJFN-UHFFFAOYSA-N 0 3 246.314 0.904 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N1CCn2nccc21 ZINC000639035200 353309099 /nfs/dbraw/zinc/30/90/99/353309099.db2.gz WGLKJSIUACKEBG-SNVBAGLBSA-N 0 3 236.319 0.993 20 0 BCADHN CC[C@H](NC)C(=O)N1CCn2nccc21 ZINC000639035354 353309295 /nfs/dbraw/zinc/30/92/95/353309295.db2.gz WOFWWACWIKMJMF-QMMMGPOBSA-N 0 3 208.265 0.228 20 0 BCADHN O=C([C@@H]1CCCCN1)N1CCn2nccc21 ZINC000639035164 353309354 /nfs/dbraw/zinc/30/93/54/353309354.db2.gz VILKJXSAVTVGAJ-VIFPVBQESA-N 0 3 220.276 0.372 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCOC[C@@H](C)C1 ZINC000368401506 188271124 /nfs/dbraw/zinc/27/11/24/188271124.db2.gz DFSHHASIXPHAHV-UWVGGRQHSA-N 0 3 214.309 0.465 20 0 BCADHN CC(C)(O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000372314266 188273151 /nfs/dbraw/zinc/27/31/51/188273151.db2.gz AUDUAFZAMUCZRJ-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)(C)NC(=O)CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252841416 353311846 /nfs/dbraw/zinc/31/18/46/353311846.db2.gz AMSIYPHDHRXKMB-DCAQKATOSA-N 0 3 240.347 0.604 20 0 BCADHN COc1ccc([C@H](C)NC(=O)CN)cc1OC ZINC000040491235 188292262 /nfs/dbraw/zinc/29/22/62/188292262.db2.gz HWJSTYOBCFIYPP-QMMMGPOBSA-N 0 3 238.287 0.840 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@H](C)CO)n1 ZINC000082424845 188294039 /nfs/dbraw/zinc/29/40/39/188294039.db2.gz CYQAEJCZKMYXHX-QMMMGPOBSA-N 0 3 210.277 0.814 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1COc2ccccc2C1 ZINC000083905381 188297051 /nfs/dbraw/zinc/29/70/51/188297051.db2.gz YYUWHDQWIJFFFB-SNVBAGLBSA-N 0 3 234.299 0.844 20 0 BCADHN Cc1cccc(CS(=O)(=O)C(C)C(N)=O)c1 ZINC000046106162 188298080 /nfs/dbraw/zinc/29/80/80/188298080.db2.gz XLKLCUOIBXZLKW-SECBINFHSA-N 0 3 241.312 0.784 20 0 BCADHN CC(C)CNC(=O)CN1CCC[C@H]1C[C@H](C)O ZINC000252700146 353303791 /nfs/dbraw/zinc/30/37/91/353303791.db2.gz YGDGLESTJQXTSD-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CC(=O)NCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000069052747 188304634 /nfs/dbraw/zinc/30/46/34/188304634.db2.gz WKVQFDDKLJBXRB-UHFFFAOYSA-N 0 3 247.298 0.407 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CCn2nccc21 ZINC000639034426 353304478 /nfs/dbraw/zinc/30/44/78/353304478.db2.gz FLVMFKPGSYWJCI-SECBINFHSA-N 0 3 222.292 0.603 20 0 BCADHN C[C@@H](N)C(=O)NCc1noc2c1CCCC2 ZINC000639033617 353304801 /nfs/dbraw/zinc/30/48/01/353304801.db2.gz NCQSDWSCVPJVQO-SSDOTTSWSA-N 0 3 223.276 0.517 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NCc1ccc(=O)[nH]c1 ZINC000345793526 353332599 /nfs/dbraw/zinc/33/25/99/353332599.db2.gz KBQINSOILUNJER-ZETCQYMHSA-N 0 3 245.229 0.386 20 0 BCADHN COCC1CCN([C@@H]2CCCNC2=O)CC1 ZINC000334501446 353335783 /nfs/dbraw/zinc/33/57/83/353335783.db2.gz XPEZPZCZXQBFES-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@H](C(=O)N1CC(O)(CC)C1)N(C)C ZINC000412325669 191274573 /nfs/dbraw/zinc/27/45/73/191274573.db2.gz AKDYVIPBKXUJHN-SECBINFHSA-N 0 3 214.309 0.310 20 0 BCADHN COc1ncccc1C(=O)N(C)CCN(C)C ZINC000080391974 188312186 /nfs/dbraw/zinc/31/21/86/188312186.db2.gz KQSHPFYFHSNPIU-UHFFFAOYSA-N 0 3 237.303 0.724 20 0 BCADHN CN(C)CCOCCNC(=O)C1CC1 ZINC000226265879 363215408 /nfs/dbraw/zinc/21/54/08/363215408.db2.gz BHIZMGSKFVRXPH-UHFFFAOYSA-N 0 3 200.282 0.091 20 0 BCADHN C[C@@H](NC1(C(N)=O)CC1)[C@@H]1CC1(F)F ZINC000639042719 353325698 /nfs/dbraw/zinc/32/56/98/353325698.db2.gz IYJYSGTXPLZPFK-RITPCOANSA-N 0 3 204.220 0.638 20 0 BCADHN Cn1cncc1CN1CCC2(CC1)OCCO2 ZINC000093436714 188319324 /nfs/dbraw/zinc/31/93/24/188319324.db2.gz GSYRORZKKADLON-UHFFFAOYSA-N 0 3 237.303 0.759 20 0 BCADHN CC(C)[C@H](O)CN[C@H](CO)c1cnn(C)c1 ZINC000336660349 188339553 /nfs/dbraw/zinc/33/95/53/188339553.db2.gz BGHQTENLKPTYSG-GHMZBOCLSA-N 0 3 227.308 0.060 20 0 BCADHN CN(CC1CC1)S(=O)(=O)[C@H]1CCCNC1 ZINC000049644253 188327314 /nfs/dbraw/zinc/32/73/14/188327314.db2.gz OGROBPUDKPRNLZ-JTQLQIEISA-N 0 3 232.349 0.410 20 0 BCADHN Cc1nn(C)cc1CNC[C@]1(O)CCSC1 ZINC000126278955 188329922 /nfs/dbraw/zinc/32/99/22/188329922.db2.gz KDHMGKFSKXZCNV-LLVKDONJSA-N 0 3 241.360 0.686 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000105327492 188335317 /nfs/dbraw/zinc/33/53/17/188335317.db2.gz OEPXCNWGQSXVTO-KOLCDFICSA-N 0 3 241.335 0.064 20 0 BCADHN CCN1CCN(c2cncc3nncn32)[C@@H](C)C1 ZINC000343283451 353349098 /nfs/dbraw/zinc/34/90/98/353349098.db2.gz JTSFDNQFYCMEOI-JTQLQIEISA-N 0 3 246.318 0.655 20 0 BCADHN CC(C)[C@@](C)(O)CNCc1cnnn1C ZINC000304797344 188337529 /nfs/dbraw/zinc/33/75/29/188337529.db2.gz WTFGIZOEEAWDPV-JTQLQIEISA-N 0 3 212.297 0.312 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CSCN1 ZINC000163478833 353353210 /nfs/dbraw/zinc/35/32/10/353353210.db2.gz IZHMSNQDJUJRCI-NXEZZACHSA-N 0 3 243.376 0.249 20 0 BCADHN Cc1ccccc1CNC[C@](C)(O)CO ZINC000085250876 538116214 /nfs/dbraw/zinc/11/62/14/538116214.db2.gz QYZUQNMDDTZMTC-LBPRGKRZSA-N 0 3 209.289 0.828 20 0 BCADHN CC(C)COCCN(CCO)C[C@@H](C)O ZINC000336684095 188341840 /nfs/dbraw/zinc/34/18/40/188341840.db2.gz JZARHENZRVYHCE-LLVKDONJSA-N 0 3 219.325 0.334 20 0 BCADHN C[C@@](O)(CO)CNCc1cccc(O)c1 ZINC000085250358 538116334 /nfs/dbraw/zinc/11/63/34/538116334.db2.gz VIGOVFIMKOAYSB-NSHDSACASA-N 0 3 211.261 0.225 20 0 BCADHN CC(C)COC[C@@H](O)CN(C)[C@@H]1CCOC1 ZINC000106936760 188344580 /nfs/dbraw/zinc/34/45/80/188344580.db2.gz KXOQRBYNOTXLSF-NEPJUHHUSA-N 0 3 231.336 0.741 20 0 BCADHN CCCn1cc(C(=O)N(C)CCN(C)C)cn1 ZINC000183225689 188345573 /nfs/dbraw/zinc/34/55/73/188345573.db2.gz MRVBRTYDTYRTFC-UHFFFAOYSA-N 0 3 238.335 0.927 20 0 BCADHN CC[C@H]1[C@@H](C)CCN1Cc1cnc(N)nc1N ZINC000639064428 353375290 /nfs/dbraw/zinc/37/52/90/353375290.db2.gz ATYOPTBUQUKEDI-WPRPVWTQSA-N 0 3 235.335 0.922 20 0 BCADHN C[C@](O)(CO)CNCc1ccc(F)c(F)c1 ZINC000085250968 538116446 /nfs/dbraw/zinc/11/64/46/538116446.db2.gz WYKLQBFGLJDCNS-LLVKDONJSA-N 0 3 231.242 0.798 20 0 BCADHN CCC[C@@H](CN1CCN2CCOC[C@@H]2C1)OC ZINC000639062857 353376937 /nfs/dbraw/zinc/37/69/37/353376937.db2.gz VFCQAVJEKIYZJS-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@H]1[C@H](C)SCCN1C(=O)C1(N)CC1 ZINC000132343628 353378905 /nfs/dbraw/zinc/37/89/05/353378905.db2.gz XKCOHEGZCGUPCT-SFYZADRCSA-N 0 3 214.334 0.830 20 0 BCADHN C[C@@H](NCCc1nnnn1C)c1cncs1 ZINC000381773799 538116036 /nfs/dbraw/zinc/11/60/36/538116036.db2.gz WNXLCMUQWYCHTF-SSDOTTSWSA-N 0 3 238.320 0.560 20 0 BCADHN CC(C)[C@@](C)(O)CN1CCCN(C)C(=O)C1 ZINC000365000608 188354400 /nfs/dbraw/zinc/35/44/00/188354400.db2.gz LCEQNXZBEXDCNS-LBPRGKRZSA-N 0 3 228.336 0.558 20 0 BCADHN Cc1nccc(CNC(=O)C2(N)CCCC2)n1 ZINC000038038101 188355050 /nfs/dbraw/zinc/35/50/50/188355050.db2.gz UABWYSXAQFWCNQ-UHFFFAOYSA-N 0 3 234.303 0.673 20 0 BCADHN CC[C@@H](C(=O)N1CCc2n[nH]cc2C1)N(C)C ZINC000268732792 188373952 /nfs/dbraw/zinc/37/39/52/188373952.db2.gz MFIJHKPIKRPWAF-NSHDSACASA-N 0 3 236.319 0.635 20 0 BCADHN CC(C)(C)[C@H]1CCN(CCNS(C)(=O)=O)C1 ZINC000336703516 188358957 /nfs/dbraw/zinc/35/89/57/188358957.db2.gz HIRKHAXOLQZTHL-JTQLQIEISA-N 0 3 248.392 0.904 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCCO[C@@H](C)C1 ZINC000061920225 188360340 /nfs/dbraw/zinc/36/03/40/188360340.db2.gz RKFZIJUSABXWGN-UWVGGRQHSA-N 0 3 214.309 0.607 20 0 BCADHN CC(C)C[C@H](C(N)=O)C(=O)N[C@@H](C)CN(C)C ZINC000412346377 191277923 /nfs/dbraw/zinc/27/79/23/191277923.db2.gz LUPUAZBFWMWXIM-VHSXEESVSA-N 0 3 243.351 0.200 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000337120365 188362119 /nfs/dbraw/zinc/36/21/19/188362119.db2.gz YTDZXBOHYBKNHR-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@H](NC(=O)C[C@H]1CNCCO1)C(F)F ZINC000639076344 353402048 /nfs/dbraw/zinc/40/20/48/353402048.db2.gz AVAKUAKMYWLYBS-YUMQZZPRSA-N 0 3 236.262 0.525 20 0 BCADHN CC[C@@H](NC(=O)C[C@H]1CNCCO1)C(F)F ZINC000639076342 353402154 /nfs/dbraw/zinc/40/21/54/353402154.db2.gz AVAKUAKMYWLYBS-JGVFFNPUSA-N 0 3 236.262 0.525 20 0 BCADHN CC[C@@H](NC(=O)C[C@@H]1CNCCO1)C(F)F ZINC000639076341 353402346 /nfs/dbraw/zinc/40/23/46/353402346.db2.gz AVAKUAKMYWLYBS-HTQZYQBOSA-N 0 3 236.262 0.525 20 0 BCADHN CCC(=O)C1(C(=O)NC[C@H](C)N(C)C)CC1 ZINC000412392517 191278449 /nfs/dbraw/zinc/27/84/49/191278449.db2.gz DYBIFQZKWVQCNB-VIFPVBQESA-N 0 3 226.320 0.812 20 0 BCADHN COC(=O)[C@H]1CC[C@H]1C(=O)NC[C@H](C)N(C)C ZINC000412392893 191278549 /nfs/dbraw/zinc/27/85/49/191278549.db2.gz GBKVRVYLSLRAHH-AEJSXWLSSA-N 0 3 242.319 0.252 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000190698307 353409017 /nfs/dbraw/zinc/40/90/17/353409017.db2.gz GVDXFRSEUUIRTE-NXEZZACHSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)COCCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366424114 188368862 /nfs/dbraw/zinc/36/88/62/188368862.db2.gz GLWBTZKBCFRALQ-GDNZZTSVSA-N 0 3 213.321 0.829 20 0 BCADHN CCC(CC)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000514783633 324112690 /nfs/dbraw/zinc/11/26/90/324112690.db2.gz LNWXHDYMIUTAAF-NSHDSACASA-N 0 3 242.367 0.459 20 0 BCADHN Cc1ccnc(C(=O)NC[C@H](C)N(C)C)n1 ZINC000412394513 191279906 /nfs/dbraw/zinc/27/99/06/191279906.db2.gz OISHIPNAVRBEDT-VIFPVBQESA-N 0 3 222.292 0.465 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NC[C@@]1(C)CCOC1 ZINC000353660335 188376488 /nfs/dbraw/zinc/37/64/88/188376488.db2.gz CODZCDZXOKAKIB-ZYHUDNBSSA-N 0 3 228.336 0.903 20 0 BCADHN C[C@@H]1CN(CCC[C@H]2CCO2)CCN1CCO ZINC000639090698 353447570 /nfs/dbraw/zinc/44/75/70/353447570.db2.gz JNMMZTOMLTWEMR-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN COCCNCC(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000230242642 353481485 /nfs/dbraw/zinc/48/14/85/353481485.db2.gz GYVWJVODQKRLPO-WDEREUQCSA-N 0 3 244.335 0.106 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@@H](N)C(C)C)CC[C@H]1C ZINC000230242905 353481713 /nfs/dbraw/zinc/48/17/13/353481713.db2.gz ZYUXFLKIYNDPKG-MXWKQRLJSA-N 0 3 228.336 0.853 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@H](N)C(C)C)CC[C@H]1C ZINC000230243761 353481808 /nfs/dbraw/zinc/48/18/08/353481808.db2.gz ZYUXFLKIYNDPKG-GMTAPVOTSA-N 0 3 228.336 0.853 20 0 BCADHN COC[C@H](C)CC(=O)NC[C@H](C)N(C)C ZINC000412388087 191281585 /nfs/dbraw/zinc/28/15/85/191281585.db2.gz IKPQNSZFCXTWON-ZJUUUORDSA-N 0 3 216.325 0.725 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCCN1CCCC1 ZINC000040459917 188396883 /nfs/dbraw/zinc/39/68/83/188396883.db2.gz CJEHLRGGMFDIHI-SNVBAGLBSA-N 0 3 227.352 0.572 20 0 BCADHN CC(C)(N)C(=O)NCCCOC[C@H]1CCCO1 ZINC000040925136 188397027 /nfs/dbraw/zinc/39/70/27/188397027.db2.gz OQRVQYKKIBIQGE-SNVBAGLBSA-N 0 3 244.335 0.426 20 0 BCADHN CO[C@@H](C)CN(C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000353217465 188397348 /nfs/dbraw/zinc/39/73/48/188397348.db2.gz HRAPCUXAAUNUSW-RWMBFGLXSA-N 0 3 242.363 0.816 20 0 BCADHN C(CN1CCOCC1)N1CCC[C@]12CCOC2 ZINC000341945994 188398750 /nfs/dbraw/zinc/39/87/50/188398750.db2.gz HODOGVHJHJLDOM-CYBMUJFWSA-N 0 3 240.347 0.574 20 0 BCADHN COCCC[C@@H](C)NCc1cn(C)nn1 ZINC000309040651 491051850 /nfs/dbraw/zinc/05/18/50/491051850.db2.gz LBCQJFXGKBKWOG-SECBINFHSA-N 0 3 212.297 0.720 20 0 BCADHN C/C=C\CNC(=O)NCCNCCOC ZINC000627082922 363232040 /nfs/dbraw/zinc/23/20/40/363232040.db2.gz NVKKZHZGYBVJOD-ARJAWSKDSA-N 0 3 215.297 0.098 20 0 BCADHN CCN(CC(N)=O)C[C@@](C)(CC)OC ZINC000639099045 353503626 /nfs/dbraw/zinc/50/36/26/353503626.db2.gz RDBFMJZYQLRCTK-SNVBAGLBSA-N 0 3 202.298 0.609 20 0 BCADHN CNCC(=O)N1CCC[C@@H]1CSC ZINC000193134083 353575411 /nfs/dbraw/zinc/57/54/11/353575411.db2.gz IZMUATYWGQCZPT-MRVPVSSYSA-N 0 3 202.323 0.560 20 0 BCADHN CNCC(=O)NCCCc1c(C)nn(C)c1C ZINC000193142260 353581592 /nfs/dbraw/zinc/58/15/92/353581592.db2.gz KNKVPARWFYJRON-UHFFFAOYSA-N 0 3 238.335 0.305 20 0 BCADHN C[C@H](O)CCN1CCC2(COC(=O)N2)CC1 ZINC000496398628 324164171 /nfs/dbraw/zinc/16/41/71/324164171.db2.gz KWSOWIJTYBHPDP-VIFPVBQESA-N 0 3 228.292 0.332 20 0 BCADHN CCCC(=O)N[C@H]1CCCN(C[C@@H](C)O)C1 ZINC000192706741 353563853 /nfs/dbraw/zinc/56/38/53/353563853.db2.gz XBHADQIMHPZHPG-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN CNCC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000193137995 353572305 /nfs/dbraw/zinc/57/23/05/353572305.db2.gz JPQMJCIQSOUKJY-JLLWLGSASA-N 0 3 238.331 0.670 20 0 BCADHN CCN(C)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000334513670 353572970 /nfs/dbraw/zinc/57/29/70/353572970.db2.gz MAMIJSUJTFZSEK-SNVBAGLBSA-N 0 3 241.335 0.017 20 0 BCADHN CCN(C)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000334513663 353573332 /nfs/dbraw/zinc/57/33/32/353573332.db2.gz MAMIJSUJTFZSEK-JTQLQIEISA-N 0 3 241.335 0.017 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@H](COCCOC)C1 ZINC000577866476 366091259 /nfs/dbraw/zinc/09/12/59/366091259.db2.gz QQEFXRQNQIZIDD-WDEREUQCSA-N 0 3 244.335 0.235 20 0 BCADHN Cc1nn(C)c2ncc(CN(C)CCO)cc12 ZINC000194266247 353634297 /nfs/dbraw/zinc/63/42/97/353634297.db2.gz QMTSLGIRTJYFBR-UHFFFAOYSA-N 0 3 234.303 0.701 20 0 BCADHN C[C@@H](N[C@H](C)[C@@H]1CCCCO1)C(N)=O ZINC000639107755 353639614 /nfs/dbraw/zinc/63/96/14/353639614.db2.gz CTZAHAQGNGAWKR-HLTSFMKQSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@@H]1CN(C)CCN1CCCn1ccnc1 ZINC000343312434 353610439 /nfs/dbraw/zinc/61/04/39/353610439.db2.gz BMFXWFSQRPTRKQ-GFCCVEGCSA-N 0 3 222.336 0.909 20 0 BCADHN C[C@@H]1C[C@@H](N(C)Cc2nnn(C)n2)CCN1C ZINC000194438222 353660793 /nfs/dbraw/zinc/66/07/93/353660793.db2.gz OQORZCWHSUTFCV-ZJUUUORDSA-N 0 3 238.339 0.125 20 0 BCADHN C(CN1CCCOCC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000343318466 353667718 /nfs/dbraw/zinc/66/77/18/353667718.db2.gz XZOFEJWTSDDHKB-BETUJISGSA-N 0 3 240.347 0.572 20 0 BCADHN C[C@H](O)CCNC(=O)C1CCN(C2CC2)CC1 ZINC000194670712 353683213 /nfs/dbraw/zinc/68/32/13/353683213.db2.gz IOHLQNJLTJEVCJ-JTQLQIEISA-N 0 3 240.347 0.748 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2cnc[nH]2)C1 ZINC000522967189 324204183 /nfs/dbraw/zinc/20/41/83/324204183.db2.gz AHIYDACWZHQCMC-VIFPVBQESA-N 0 3 222.292 0.481 20 0 BCADHN CCN(CC)CC(=O)N1CCCO[C@@H](CF)C1 ZINC000412444137 191286313 /nfs/dbraw/zinc/28/63/13/191286313.db2.gz FVISUVSUKWPYOD-NSHDSACASA-N 0 3 246.326 0.915 20 0 BCADHN CCN(CC)CC(=O)N1CCO[C@H](CF)C1 ZINC000412441214 191286396 /nfs/dbraw/zinc/28/63/96/191286396.db2.gz XIKPRAICZCTMDT-SNVBAGLBSA-N 0 3 232.299 0.525 20 0 BCADHN CCN(CC)CC(=O)NC[C@H]1CCC[C@@H]1O ZINC000074097345 353784712 /nfs/dbraw/zinc/78/47/12/353784712.db2.gz RTVJKRSAKVLFRP-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@H]1CC[C@@H](C)O1 ZINC000398089344 324216925 /nfs/dbraw/zinc/21/69/25/324216925.db2.gz NLDAIQZXOVSQPM-HBNTYKKESA-N 0 3 249.376 0.967 20 0 BCADHN C[C@H](O)[C@@H]1CCCN(CCOCCO)C1 ZINC000136328218 491055911 /nfs/dbraw/zinc/05/59/11/491055911.db2.gz IFCVIPGJYNBSBT-WDEREUQCSA-N 0 3 217.309 0.088 20 0 BCADHN C[C@H](CN)N(C)C(=O)C(=O)NCCCC1CC1 ZINC000577942978 366117372 /nfs/dbraw/zinc/11/73/72/366117372.db2.gz BDDWUOSMPLAMRK-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN COC[C@H](CO)N[C@@H](C)[C@H]1CC1(F)F ZINC000639125683 353822592 /nfs/dbraw/zinc/82/25/92/353822592.db2.gz ZMJIXWZLHABNRJ-BIIVOSGPSA-N 0 3 209.236 0.627 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2ccns2)C1 ZINC000639127730 353839394 /nfs/dbraw/zinc/83/93/94/353839394.db2.gz UFNNULWKYKTGSA-SNVBAGLBSA-N 0 3 225.317 0.840 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2ccn[nH]2)CCCN1C ZINC000343459085 353896075 /nfs/dbraw/zinc/89/60/75/353896075.db2.gz WLXLJPHIDUZEJE-IUCAKERBSA-N 0 3 222.292 0.622 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000343411021 353878995 /nfs/dbraw/zinc/87/89/95/353878995.db2.gz CNZJIXCOWPDQCF-GUBZILKMSA-N 0 3 242.319 0.381 20 0 BCADHN CCC[C@H](CC)NC(=O)[C@@H](N)CCC(=O)OC ZINC000343415337 353879454 /nfs/dbraw/zinc/87/94/54/353879454.db2.gz KTFUWCPTYYPVHN-UWVGGRQHSA-N 0 3 244.335 0.962 20 0 BCADHN CCC[C@@H](CC)NC(=O)[C@@H](N)CCC(=O)OC ZINC000343415339 353879495 /nfs/dbraw/zinc/87/94/95/353879495.db2.gz KTFUWCPTYYPVHN-ZJUUUORDSA-N 0 3 244.335 0.962 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)[C@@H](N)CCC(=O)OC ZINC000343425053 353882312 /nfs/dbraw/zinc/88/23/12/353882312.db2.gz YNRCNTVENDBKNH-GUBZILKMSA-N 0 3 244.335 0.818 20 0 BCADHN COCCOCC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343429714 353883192 /nfs/dbraw/zinc/88/31/92/353883192.db2.gz FOLNXOQUUMUXGK-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1C ZINC000343432326 353884543 /nfs/dbraw/zinc/88/45/43/353884543.db2.gz IPXFXBDPHIDLNS-ONGXEEELSA-N 0 3 249.314 1.000 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N(C)CCC(N)=O ZINC000343455221 353894190 /nfs/dbraw/zinc/89/41/90/353894190.db2.gz SHXZUFHHOFJUSL-SNVBAGLBSA-N 0 3 241.335 0.195 20 0 BCADHN CO[C@]1(CN2CC[C@](F)(CO)C2)CCOC1 ZINC000639145693 353851538 /nfs/dbraw/zinc/85/15/38/353851538.db2.gz VSPHPHCZTINLBG-MNOVXSKESA-N 0 3 233.283 0.198 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NC[C@@H](C)C(C)C ZINC000343490950 353908368 /nfs/dbraw/zinc/90/83/68/353908368.db2.gz JKNANNYPUKAPHA-ZJUUUORDSA-N 0 3 244.335 0.675 20 0 BCADHN C[C@H](N[C@@H]1CN(C)C[C@H]1C)C(=O)N1CCCC1 ZINC000343491767 353909446 /nfs/dbraw/zinc/90/94/46/353909446.db2.gz BYYOXJPZRZEBFC-GRYCIOLGSA-N 0 3 239.363 0.537 20 0 BCADHN C[C@@H](CNC(=O)c1cnc(C2CC2)[nH]1)N(C)C ZINC000343640329 353951049 /nfs/dbraw/zinc/95/10/49/353951049.db2.gz AXEVUVJZUCWJPU-QMMMGPOBSA-N 0 3 236.319 0.967 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)Cc2ccon2)CCCN1C ZINC000343508202 353922486 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354526881 /nfs/dbraw/zinc/52/68/81/354526881.db2.gz UTJTWPVAWRZSPK-WDEREUQCSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C1(C)COC1 ZINC000334737376 354538835 /nfs/dbraw/zinc/53/88/35/354538835.db2.gz FIJADIQINHLLOV-WDEREUQCSA-N 0 3 238.331 0.718 20 0 BCADHN CC[C@@H](C)CN1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000334708055 354502580 /nfs/dbraw/zinc/50/25/80/354502580.db2.gz FRXZSCBSMHNWJF-RKDXNWHRSA-N 0 3 225.292 0.269 20 0 BCADHN CCN1CCCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC000334720092 354520392 /nfs/dbraw/zinc/52/03/92/354520392.db2.gz LRKYKBVVQXZRFG-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN CCn1ccnc1NC(=O)[C@H]1CCN(C)C1 ZINC000334799508 354554610 /nfs/dbraw/zinc/55/46/10/354554610.db2.gz NPEOCWWJUIQDCO-VIFPVBQESA-N 0 3 222.292 0.793 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000334810425 354567423 /nfs/dbraw/zinc/56/74/23/354567423.db2.gz XMRBUFMZAAZHCG-ZJUUUORDSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@H]1[C@H](C)N(CCN2CCCC2=O)CCN1C ZINC000334814396 354572074 /nfs/dbraw/zinc/57/20/74/354572074.db2.gz TZAOEDCQJJGDBX-RYUDHWBXSA-N 0 3 239.363 0.633 20 0 BCADHN Nc1ncc(CNCCCCF)c(N)n1 ZINC000639195174 354595086 /nfs/dbraw/zinc/59/50/86/354595086.db2.gz FCYJJGBKHVITQR-UHFFFAOYSA-N 0 3 213.260 0.141 20 0 BCADHN Cc1nnc(NC(=O)C2CCN(C)CC2)n1C ZINC000345388045 354647935 /nfs/dbraw/zinc/64/79/35/354647935.db2.gz ADLSSLQGVPDTCX-UHFFFAOYSA-N 0 3 237.307 0.404 20 0 BCADHN CC[C@H]1CCCCN1CCNS(N)(=O)=O ZINC000113301206 354651109 /nfs/dbraw/zinc/65/11/09/354651109.db2.gz VYPZWORZRDGMGO-VIFPVBQESA-N 0 3 235.353 0.044 20 0 BCADHN CO[C@H](CNC1COCCOC1)[C@@H]1CCOC1 ZINC000639201406 354605206 /nfs/dbraw/zinc/60/52/06/354605206.db2.gz VFZZJRYADHXLEI-ZYHUDNBSSA-N 0 3 245.319 0.043 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2ccc[nH]c2=O)CCCN1C ZINC000345320827 354609602 /nfs/dbraw/zinc/60/96/02/354609602.db2.gz OAJMIVHIHYDGSL-KOLCDFICSA-N 0 3 249.314 1.000 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2nnc[nH]2)CCCN1C ZINC000345321747 354609872 /nfs/dbraw/zinc/60/98/72/354609872.db2.gz 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KQIOGIUKCJIWRV-QMMMGPOBSA-N 0 3 225.292 0.917 20 0 BCADHN CC(C(=O)N1CC(C2CCC2)C1)S(C)(=O)=O ZINC000335103673 354687259 /nfs/dbraw/zinc/68/72/59/354687259.db2.gz UCFKOLHVAFVGGL-QMMMGPOBSA-N 0 3 245.344 0.678 20 0 BCADHN CC(C)N1CC[C@@H](N(C)C(=O)[C@@H](C)O)C1 ZINC000335103951 354687949 /nfs/dbraw/zinc/68/79/49/354687949.db2.gz GJRXIZPXXMQERJ-NXEZZACHSA-N 0 3 214.309 0.308 20 0 BCADHN Cc1cc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)[nH]n1 ZINC000335106890 354692240 /nfs/dbraw/zinc/69/22/40/354692240.db2.gz AZUVHBQMFQQAAJ-CMPLNLGQSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1cc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)n[nH]1 ZINC000335106890 354692243 /nfs/dbraw/zinc/69/22/43/354692243.db2.gz AZUVHBQMFQQAAJ-CMPLNLGQSA-N 0 3 248.330 0.884 20 0 BCADHN CCCN(C)CC(=O)NCc1ccc[nH]1 ZINC000345582432 354705084 /nfs/dbraw/zinc/70/50/84/354705084.db2.gz GXKIPSBVJIZXHX-UHFFFAOYSA-N 0 3 209.293 0.973 20 0 BCADHN CC(C)(C)N1CC[C@@H](N2CC[C@@](C)(O)C2)C1=O ZINC000335116470 354706186 /nfs/dbraw/zinc/70/61/86/354706186.db2.gz YCKKQPCLHSDYHH-ZWNOBZJWSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H](F)CCNCc1cnc(N)nc1N ZINC000639210112 354733725 /nfs/dbraw/zinc/73/37/25/354733725.db2.gz HMQCUXFNIQTLMN-ZCFIWIBFSA-N 0 3 213.260 0.139 20 0 BCADHN CN(C)CCOCCNC(=O)c1cncs1 ZINC000345596024 354726275 /nfs/dbraw/zinc/72/62/75/354726275.db2.gz FFCPKIQDNKYDHC-UHFFFAOYSA-N 0 3 243.332 0.451 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000345443815 354669984 /nfs/dbraw/zinc/66/99/84/354669984.db2.gz CEFIHYJHKYOOCM-SRVKXCTJSA-N 0 3 240.347 0.558 20 0 BCADHN CN(CCn1cccn1)C(=O)[C@H](N)CC(F)F ZINC000345737431 354748185 /nfs/dbraw/zinc/74/81/85/354748185.db2.gz PFYQDELJVYRCAY-MRVPVSSYSA-N 0 3 246.261 0.324 20 0 BCADHN C[C@H]1[C@@H](NC(=O)NCC(C)(C)O)CCCN1C ZINC000345738891 354748909 /nfs/dbraw/zinc/74/89/09/354748909.db2.gz GFAUVBPHEVEUIW-UWVGGRQHSA-N 0 3 243.351 0.539 20 0 BCADHN CC(C)OC(=O)CCN1C[C@H](C)[C@H](O)C1 ZINC000351952293 134016681 /nfs/dbraw/zinc/01/66/81/134016681.db2.gz SPRJUMFXOTYJFL-VHSXEESVSA-N 0 3 215.293 0.641 20 0 BCADHN C[C@H](O)CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345760639 354777972 /nfs/dbraw/zinc/77/79/72/354777972.db2.gz UYRUIVPCVLEKJD-HBNTYKKESA-N 0 3 243.351 0.539 20 0 BCADHN C[C@H](O)[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000535558917 354781970 /nfs/dbraw/zinc/78/19/70/354781970.db2.gz PABSLVBIYAZLKG-QWHCGFSZSA-N 0 3 242.363 0.411 20 0 BCADHN CCCN(C)CC(=O)NCC[C@@H]1CCOC1 ZINC000345700233 354734918 /nfs/dbraw/zinc/73/49/18/354734918.db2.gz VPSFTERLXOYCNR-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CN1CCC(C(=O)NCC[C@@H]2CCOC2)CC1 ZINC000345725319 354744716 /nfs/dbraw/zinc/74/47/16/354744716.db2.gz TZJLGDBRNIUNOH-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CC[C@H](OC)C1 ZINC000233401279 363401305 /nfs/dbraw/zinc/40/13/05/363401305.db2.gz BELYQWJSBLREBK-ONGXEEELSA-N 0 3 214.309 0.751 20 0 BCADHN COC(=O)c1cc(CN[C@@H](C)CC(N)=O)c[nH]1 ZINC000345859309 354807799 /nfs/dbraw/zinc/80/77/99/354807799.db2.gz SAYHUBOYPWMNJJ-ZETCQYMHSA-N 0 3 239.275 0.155 20 0 BCADHN C[C@H](O)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000345936005 354813365 /nfs/dbraw/zinc/81/33/65/354813365.db2.gz SVGWHYXZUIYVOD-GARJFASQSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@H]1CN(CCCCO)[C@H](C)CN1C ZINC000351958945 134017995 /nfs/dbraw/zinc/01/79/95/134017995.db2.gz MOAAXZBCCARZGL-GHMZBOCLSA-N 0 3 200.326 0.783 20 0 BCADHN CO[C@@H](C)CCNC(=O)C1CCN(C)CC1 ZINC000345955134 354819984 /nfs/dbraw/zinc/81/99/84/354819984.db2.gz ANVHAOUPOCEYIX-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CCc1nc(CN[C@H](C)Cc2cnccn2)n[nH]1 ZINC000639215490 354820878 /nfs/dbraw/zinc/82/08/78/354820878.db2.gz CKCCEJGGPCUOSJ-SECBINFHSA-N 0 3 246.318 0.878 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@](F)(CO)C1 ZINC000345917467 354825090 /nfs/dbraw/zinc/82/50/90/354825090.db2.gz XYCVCQXZQVRXMP-GFCCVEGCSA-N 0 3 246.326 0.651 20 0 BCADHN Cc1[nH]cnc1CC(=O)NC[C@@H](CO)C(C)C ZINC000345920673 354825971 /nfs/dbraw/zinc/82/59/71/354825971.db2.gz BZPHIARVICNGFH-JTQLQIEISA-N 0 3 239.319 0.641 20 0 BCADHN CC[C@H](O)CN1C[C@H](OC)[C@@H](OC)C1 ZINC000234049357 363414577 /nfs/dbraw/zinc/41/45/77/363414577.db2.gz LJDIJJOJSMMERW-GUBZILKMSA-N 0 3 203.282 0.103 20 0 BCADHN CCC[C@@H](CNCc1cnc(N)nc1N)OC ZINC000639218296 354868267 /nfs/dbraw/zinc/86/82/67/354868267.db2.gz YLIWAPCQSPDQSR-VIFPVBQESA-N 0 3 239.323 0.206 20 0 BCADHN CCC[C@H](CNCc1cnc(N)nc1N)OC ZINC000639218295 354868413 /nfs/dbraw/zinc/86/84/13/354868413.db2.gz YLIWAPCQSPDQSR-SECBINFHSA-N 0 3 239.323 0.206 20 0 BCADHN CN(C)C(=O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000234210775 363417242 /nfs/dbraw/zinc/41/72/42/363417242.db2.gz RNSRMZHPGGMJAV-GXSJLCMTSA-N 0 3 212.293 0.232 20 0 BCADHN CCc1nc(C(=O)N[C@@H](C)CN(C)C)no1 ZINC000346280441 354876881 /nfs/dbraw/zinc/87/68/81/354876881.db2.gz WBYRMGDCMXGKBS-ZETCQYMHSA-N 0 3 226.280 0.312 20 0 BCADHN Cc1[nH]nc2ncc(CN[C@H]3C[C@@H](O)C3)cc12 ZINC000449748844 202020824 /nfs/dbraw/zinc/02/08/24/202020824.db2.gz NTXIWCAEUZYMNV-AOOOYVTPSA-N 0 3 232.287 0.879 20 0 BCADHN CCOC(=O)COCCN1CC[C@H](OC)C1 ZINC000233668213 363404662 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355069952 /nfs/dbraw/zinc/06/99/52/355069952.db2.gz JCZBBWRZUGMKOQ-WCBMZHEXSA-N 0 3 211.309 0.029 20 0 BCADHN CCOCCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000346690982 355074799 /nfs/dbraw/zinc/07/47/99/355074799.db2.gz VGWHDRNHBGOSRI-SRVKXCTJSA-N 0 3 240.347 0.999 20 0 BCADHN COC(=O)[C@@H]1CCN([C@H]2CCN(C)C2=O)[C@@H]1C ZINC000346691312 355074877 /nfs/dbraw/zinc/07/48/77/355074877.db2.gz VVJHYFYRDIAZIT-BBBLOLIVSA-N 0 3 240.303 0.101 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC000412835638 191317707 /nfs/dbraw/zinc/31/77/07/191317707.db2.gz HVWUDXRQXDGJTE-WDEREUQCSA-N 0 3 236.319 0.655 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)[C@H]1CCCN1C ZINC000335220976 355061023 /nfs/dbraw/zinc/06/10/23/355061023.db2.gz YGOSXLROQKTOOX-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN CCc1cc(C(=O)N[C@@H]2CCN(CC)C2)[nH]n1 ZINC000412833323 191317927 /nfs/dbraw/zinc/31/79/27/191317927.db2.gz FKHQSKKWMLNIKL-SNVBAGLBSA-N 0 3 236.319 0.796 20 0 BCADHN CN1CCC(NC(=O)C2(C)COC2)CC1 ZINC000335977443 134031577 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/nfs/dbraw/zinc/36/33/14/355363314.db2.gz LEWABXLXNFOMDH-FXQIFTODSA-N 0 3 246.257 0.767 20 0 BCADHN COc1cccc(CNC[C@H]2C[C@@H](O)C2)n1 ZINC000623749647 355365047 /nfs/dbraw/zinc/36/50/47/355365047.db2.gz LUHFGAHHGHFWPB-JGZJWPJOSA-N 0 3 222.288 0.951 20 0 BCADHN CN(Cc1nncn1C)[C@H]1CCN(C2CC2)C1 ZINC000535571538 355368395 /nfs/dbraw/zinc/36/83/95/355368395.db2.gz OCQGVFLURNOYIX-NSHDSACASA-N 0 3 235.335 0.484 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623236721 355371390 /nfs/dbraw/zinc/37/13/90/355371390.db2.gz DUUKMNBZJROICD-KWQFWETISA-N 0 3 247.298 0.163 20 0 BCADHN C[C@H](CNCc1cnc(N)nc1N)CC(F)F ZINC000639282153 355377365 /nfs/dbraw/zinc/37/73/65/355377365.db2.gz JVRMKJXIURBKBU-LURJTMIESA-N 0 3 245.277 0.683 20 0 BCADHN CCC[C@H](CN(C)CCNC(C)=O)OC ZINC000639285532 355390795 /nfs/dbraw/zinc/39/07/95/355390795.db2.gz MODDJJARDANASX-LLVKDONJSA-N 0 3 216.325 0.869 20 0 BCADHN CCC[C@@H](CN(C)CCNC(C)=O)OC ZINC000639285533 355390868 /nfs/dbraw/zinc/39/08/68/355390868.db2.gz MODDJJARDANASX-NSHDSACASA-N 0 3 216.325 0.869 20 0 BCADHN CO[C@@H](C)CNCc1cc(C(N)=O)cs1 ZINC000191209928 355348172 /nfs/dbraw/zinc/34/81/72/355348172.db2.gz HJLKQGCRVCZHNL-ZETCQYMHSA-N 0 3 228.317 0.972 20 0 BCADHN Nc1ncc(CN2CC[C@@H](C3CCC3)C2)c(N)n1 ZINC000639276387 355348810 /nfs/dbraw/zinc/34/88/10/355348810.db2.gz XWUWRCWOPAQAGB-SNVBAGLBSA-N 0 3 247.346 0.924 20 0 BCADHN Nc1ncc(CN2CC[C@H](C3CCC3)C2)c(N)n1 ZINC000639276384 355349112 /nfs/dbraw/zinc/34/91/12/355349112.db2.gz XWUWRCWOPAQAGB-JTQLQIEISA-N 0 3 247.346 0.924 20 0 BCADHN CC[C@@]1(C)CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000335740760 355390993 /nfs/dbraw/zinc/39/09/93/355390993.db2.gz JVQKQPDZNAKGBQ-KCJUWKMLSA-N 0 3 227.308 0.692 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@@H](C)OC ZINC000191209843 355353203 /nfs/dbraw/zinc/35/32/03/355353203.db2.gz FSKKGWHFOAFPSN-DTWKUNHWSA-N 0 3 223.338 0.434 20 0 BCADHN CCn1nccc1CNC[C@H]1C[C@@H](O)C1 ZINC000623749444 355362524 /nfs/dbraw/zinc/36/25/24/355362524.db2.gz GETVCVYICUMLJK-JGZJWPJOSA-N 0 3 209.293 0.764 20 0 BCADHN O=C([C@H]1CCCN1C1CC1)N1CC[C@@H](CO)C1 ZINC000335778576 355404864 /nfs/dbraw/zinc/40/48/64/355404864.db2.gz QOTZOXHVMXLRBJ-ZYHUDNBSSA-N 0 3 238.331 0.454 20 0 BCADHN COCCN1CCN(CC2=CCCOC2)CC1 ZINC000349727978 355421246 /nfs/dbraw/zinc/42/12/46/355421246.db2.gz ANPIMGOGMSRPGJ-UHFFFAOYSA-N 0 3 240.347 0.597 20 0 BCADHN CCNC(=O)CN1CCC[C@@H]2COCC[C@H]21 ZINC000335801495 355495028 /nfs/dbraw/zinc/49/50/28/355495028.db2.gz LLCRZHZCPOYALE-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CCCN(C)CC(=O)NC(C)(C)CC(N)=O ZINC000349857302 355502122 /nfs/dbraw/zinc/50/21/22/355502122.db2.gz JZXSFPDCFWUWQE-UHFFFAOYSA-N 0 3 229.324 0.098 20 0 BCADHN CC[C@@H](NC[C@]1(O)CCOC1)c1ccn(C)n1 ZINC000349775202 355458164 /nfs/dbraw/zinc/45/81/64/355458164.db2.gz KKGODNOOYYBWGW-ZYHUDNBSSA-N 0 3 239.319 0.612 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NC1CC1 ZINC000335802978 355472766 /nfs/dbraw/zinc/47/27/66/355472766.db2.gz JBTQAFWOFSCTPP-GZMMTYOYSA-N 0 3 223.320 0.931 20 0 BCADHN Cc1cnn(C)c1CN1C[C@H](O)C[C@H]1C ZINC000335806919 355479346 /nfs/dbraw/zinc/47/93/46/355479346.db2.gz WVVOXOVVJQSHIX-NXEZZACHSA-N 0 3 209.293 0.684 20 0 BCADHN CC(C)OCC[C@@H](O)CN(C)[C@H]1CCOC1 ZINC000349851717 355482575 /nfs/dbraw/zinc/48/25/75/355482575.db2.gz IEWKDGZWEIFHKR-NWDGAFQWSA-N 0 3 231.336 0.883 20 0 BCADHN CC(C)OCC[C@H](O)CN(C)[C@H]1CCOC1 ZINC000349851718 355482884 /nfs/dbraw/zinc/48/28/84/355482884.db2.gz IEWKDGZWEIFHKR-RYUDHWBXSA-N 0 3 231.336 0.883 20 0 BCADHN CCN(C)CCNC(=O)CC(C)(C)O ZINC000349833573 355488900 /nfs/dbraw/zinc/48/89/00/355488900.db2.gz ZOKUCBTXRRVEJN-UHFFFAOYSA-N 0 3 202.298 0.215 20 0 BCADHN Cc1cn[nH]c1CN1CCc2n[nH]cc2C1 ZINC000623241906 355535373 /nfs/dbraw/zinc/53/53/73/355535373.db2.gz IPQXGFJGPPOBEH-UHFFFAOYSA-N 0 3 217.276 1.000 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2cccc(F)c2N)C1 ZINC000639293119 355538524 /nfs/dbraw/zinc/53/85/24/355538524.db2.gz FIKPYZPQCHLFSR-DTORHVGOSA-N 0 3 237.278 0.761 20 0 BCADHN CCCCOCCN1C[C@H](O)C[C@@H]1CO ZINC000352033047 134044591 /nfs/dbraw/zinc/04/45/91/134044591.db2.gz QDGKWDFNFKFCIP-GHMZBOCLSA-N 0 3 217.309 0.231 20 0 BCADHN CC(C)[C@@H](O)C(=O)NCCN1CCCC[C@H]1C ZINC000349896633 355520823 /nfs/dbraw/zinc/52/08/23/355520823.db2.gz QAIQYAABKQCEQM-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](C(=O)N1CC(C)(O)C1)N1CCCCCC1 ZINC000335844048 355587625 /nfs/dbraw/zinc/58/76/25/355587625.db2.gz IATKMTBSUCILPK-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)C1=CCOCC1 ZINC000335845818 355589529 /nfs/dbraw/zinc/58/95/29/355589529.db2.gz QSPWEJIYQBJOOP-LLVKDONJSA-N 0 3 224.304 0.544 20 0 BCADHN N=C(NO)[C@H]1CCCCN1CCCO ZINC000368523027 181200260 /nfs/dbraw/zinc/20/02/60/181200260.db2.gz BWKMAJPQCNNKKW-MRVPVSSYSA-N 0 3 201.270 0.179 20 0 BCADHN N=C(NO)[C@H]1CCCCN1CCC1OCCO1 ZINC000372310217 181200442 /nfs/dbraw/zinc/20/04/42/181200442.db2.gz SCJNJBGTKCQZMX-SECBINFHSA-N 0 3 243.307 0.560 20 0 BCADHN CC(C)[C@H](O)C(=O)NCCN(C)C1CC1 ZINC000350128581 355610574 /nfs/dbraw/zinc/61/05/74/355610574.db2.gz XJJIIJAZBNKCOH-JTQLQIEISA-N 0 3 214.309 0.214 20 0 BCADHN Cc1c[nH]cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000335835867 355562844 /nfs/dbraw/zinc/56/28/44/355562844.db2.gz FXXBRWAHBXXRDQ-LBPRGKRZSA-N 0 3 237.303 0.120 20 0 BCADHN Cn1ncnc1CN[C@@H]1CCCN2CCCC[C@@H]12 ZINC000639302334 355646859 /nfs/dbraw/zinc/64/68/59/355646859.db2.gz LVSLVJLWONVPME-NEPJUHHUSA-N 0 3 249.362 0.922 20 0 BCADHN Cn1ncnc1CN[C@H]1CCCN2CCCC[C@H]12 ZINC000639302335 355647044 /nfs/dbraw/zinc/64/70/44/355647044.db2.gz LVSLVJLWONVPME-NWDGAFQWSA-N 0 3 249.362 0.922 20 0 BCADHN Cn1ncnc1CNC[C@@H]1CCN1C(C)(C)C ZINC000639303104 355652855 /nfs/dbraw/zinc/65/28/55/355652855.db2.gz MOWVMUGBALUKTF-JTQLQIEISA-N 0 3 237.351 0.778 20 0 BCADHN CCCNC(=O)CCCN1CCN(C)C[C@@H]1C ZINC000583572534 355655776 /nfs/dbraw/zinc/65/57/76/355655776.db2.gz NTJJRQQZULQUJX-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CCN(C)C(=O)CN1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000583572822 355656057 /nfs/dbraw/zinc/65/60/57/355656057.db2.gz BYSHPDNUEQPARF-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN CCS(=O)(=O)NCC[C@H]1CCCN(C)C1 ZINC000416560717 191750454 /nfs/dbraw/zinc/75/04/54/191750454.db2.gz MAWUUGMOSJAHAO-SNVBAGLBSA-N 0 3 234.365 0.658 20 0 BCADHN NC(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000335617423 181203176 /nfs/dbraw/zinc/20/31/76/181203176.db2.gz IIZPVCCCSPYPCJ-QMMMGPOBSA-N 0 3 206.245 0.984 20 0 BCADHN CCCN(Cc1ncnn1C)[C@@H]1CCN(C)C1 ZINC000639298816 355617301 /nfs/dbraw/zinc/61/73/01/355617301.db2.gz NEQOPGCPMRIYFS-LLVKDONJSA-N 0 3 237.351 0.731 20 0 BCADHN CC(C(=O)N1C[C@@H](C)[C@@H](C)[C@H]1C)S(C)(=O)=O ZINC000416081883 191711450 /nfs/dbraw/zinc/71/14/50/191711450.db2.gz WSTPZLNZKHYGTF-KYXWUPHJSA-N 0 3 247.360 0.922 20 0 BCADHN CC[C@@](C)(CN1CCN2C[C@H](O)C[C@H]2C1)OC ZINC000639299150 355624942 /nfs/dbraw/zinc/62/49/42/355624942.db2.gz IRTXRJRAIMZIPB-XQQFMLRXSA-N 0 3 242.363 0.552 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)C2(O)CCC2)C1 ZINC000335868670 355634442 /nfs/dbraw/zinc/63/44/42/355634442.db2.gz KQCIZWCSIXWZPC-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN CC[C@H](NCC1(SC)CC1)C(=O)NC ZINC000449767886 202026430 /nfs/dbraw/zinc/02/64/30/202026430.db2.gz BHRYPDMWMHAIKO-QMMMGPOBSA-N 0 3 216.350 0.996 20 0 BCADHN CC[C@@](C)(N)c1cn(C[C@H](O)C(C)C)nn1 ZINC000395162638 355691776 /nfs/dbraw/zinc/69/17/76/355691776.db2.gz VAFHSHOUDHAAGA-GXSJLCMTSA-N 0 3 226.324 0.879 20 0 BCADHN C[C@@H]1CN(C(=O)C(N)C(F)(F)F)CCCO1 ZINC000336005314 134048688 /nfs/dbraw/zinc/04/86/88/134048688.db2.gz PDXBSBKNKRYZQY-RNFRBKRXSA-N 0 3 240.225 0.513 20 0 BCADHN Nc1ncc(CNCCCC2CCC2)c(N)n1 ZINC000639315266 355707174 /nfs/dbraw/zinc/70/71/74/355707174.db2.gz IRNCVKVEZCDTBV-UHFFFAOYSA-N 0 3 235.335 0.972 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)C(C)(C)COC ZINC000383898272 355712014 /nfs/dbraw/zinc/71/20/14/355712014.db2.gz NDWUCCXSYMKJIS-JTQLQIEISA-N 0 3 247.335 0.657 20 0 BCADHN NC(=O)[C@H]1CCCC[C@H]1NCC(=O)N1CCC1 ZINC000332474383 181205830 /nfs/dbraw/zinc/20/58/30/181205830.db2.gz NFVHYZZEOQSYSF-VHSXEESVSA-N 0 3 239.319 0.902 20 0 BCADHN COCc1n[nH]c(CN[C@@H]2CS[C@H](C)C2)n1 ZINC000639311367 355682448 /nfs/dbraw/zinc/68/24/48/355682448.db2.gz MTCCJKKMJSAWBI-SFYZADRCSA-N 0 3 242.348 0.935 20 0 BCADHN Nc1ncc(CNCC2=CCCC2)c(N)n1 ZINC000639328630 355740707 /nfs/dbraw/zinc/74/07/07/355740707.db2.gz DOGIFRHFODZKJI-UHFFFAOYSA-N 0 3 219.292 0.502 20 0 BCADHN C[C@H]1C[C@H](N[C@H]2CCNC2=O)CS1 ZINC000639337056 355774591 /nfs/dbraw/zinc/77/45/91/355774591.db2.gz JLQJQEXQVSOSAH-FXQIFTODSA-N 0 3 200.307 0.359 20 0 BCADHN CCn1nccc1NC(=O)N[C@H](C)CN(C)C ZINC000350785530 355757876 /nfs/dbraw/zinc/75/78/76/355757876.db2.gz JKIQUCHECNMRNU-SECBINFHSA-N 0 3 239.323 0.975 20 0 BCADHN CCC[C@@H](CN1CCN(C)C[C@@H]1CO)OC ZINC000639333024 355761380 /nfs/dbraw/zinc/76/13/80/355761380.db2.gz GAJFCBGDTFBGTO-NEPJUHHUSA-N 0 3 230.352 0.410 20 0 BCADHN OCc1ccc(CN[C@H]2C[C@H](O)C2)cc1 ZINC000639335007 355767500 /nfs/dbraw/zinc/76/75/00/355767500.db2.gz LEIQDVZLMSTWDL-HAQNSBGRSA-N 0 3 207.273 0.792 20 0 BCADHN O[C@H](CNC[C@@H](O)C(F)(F)F)C(F)F ZINC000236537138 363454284 /nfs/dbraw/zinc/45/42/84/363454284.db2.gz FFWNHHLWPCUXLG-QWWZWVQMSA-N 0 3 223.141 0.125 20 0 BCADHN Nc1ncc(CNCC[C@@H]2CC2(F)F)c(N)n1 ZINC000639338862 355778896 /nfs/dbraw/zinc/77/88/96/355778896.db2.gz NFFODAQRUPOSMC-SSDOTTSWSA-N 0 3 243.261 0.437 20 0 BCADHN CO[C@@H](CN[C@H]1CCNC1=O)Cc1ccccc1 ZINC000639338305 355779908 /nfs/dbraw/zinc/77/99/08/355779908.db2.gz TUAVROCRNSQVII-OLZOCXBDSA-N 0 3 248.326 0.722 20 0 BCADHN CC[C@H](C)[C@H](CNCc1cn[nH]n1)OC ZINC000639339692 355780839 /nfs/dbraw/zinc/78/08/39/355780839.db2.gz ANUTXJOPCICBAU-WPRPVWTQSA-N 0 3 212.297 0.955 20 0 BCADHN CC[C@H](C)[C@H](CNCc1c[nH]nn1)OC ZINC000639339692 355780841 /nfs/dbraw/zinc/78/08/41/355780841.db2.gz ANUTXJOPCICBAU-WPRPVWTQSA-N 0 3 212.297 0.955 20 0 BCADHN C[C@@H](NCc1cn[nH]n1)[C@@H]1CC1(F)F ZINC000639339718 355781326 /nfs/dbraw/zinc/78/13/26/355781326.db2.gz ATNAHKSUVJBLKI-VDTYLAMSSA-N 0 3 202.208 0.938 20 0 BCADHN C[C@@H](NCc1c[nH]nn1)[C@@H]1CC1(F)F ZINC000639339718 355781329 /nfs/dbraw/zinc/78/13/29/355781329.db2.gz ATNAHKSUVJBLKI-VDTYLAMSSA-N 0 3 202.208 0.938 20 0 BCADHN CN(Cc1ccc(=O)[nH]c1)[C@]1(CO)CCOC1 ZINC000639342558 355784720 /nfs/dbraw/zinc/78/47/20/355784720.db2.gz YFQYCJDCNAESSX-LBPRGKRZSA-N 0 3 238.287 0.370 20 0 BCADHN CCn1nncc1CNCCC[C@H]1CCO1 ZINC000639343076 355785770 /nfs/dbraw/zinc/78/57/70/355785770.db2.gz DPQNTQPSRIPZEB-NSHDSACASA-N 0 3 224.308 0.957 20 0 BCADHN C[C@H]1C[C@H](N(CCO)CCO)CS1 ZINC000639342869 355785992 /nfs/dbraw/zinc/78/59/92/355785992.db2.gz DNQUVWSNIKFVGW-IUCAKERBSA-N 0 3 205.323 0.167 20 0 BCADHN CN1CCOC[C@@H]1CNCc1ccncc1 ZINC000623710592 355788449 /nfs/dbraw/zinc/78/84/49/355788449.db2.gz IHMQSDQLAOSBMT-LBPRGKRZSA-N 0 3 221.304 0.502 20 0 BCADHN Nc1ncc(CNCC2CC=CC2)c(N)n1 ZINC000639345403 355791618 /nfs/dbraw/zinc/79/16/18/355791618.db2.gz KWDFZLPKWZANEH-UHFFFAOYSA-N 0 3 219.292 0.358 20 0 BCADHN NC(=O)[C@H]1C[C@H](NCc2cccc(F)c2N)C1 ZINC000639346229 355792550 /nfs/dbraw/zinc/79/25/50/355792550.db2.gz FIKPYZPQCHLFSR-KYZUINATSA-N 0 3 237.278 0.761 20 0 BCADHN CC[C@H](C)[C@H](CN1C[C@H](O)[C@@H](O)C1)OC ZINC000639347405 355793662 /nfs/dbraw/zinc/79/36/62/355793662.db2.gz IXGQDJCNCOMJPD-NAKRPEOUSA-N 0 3 217.309 0.085 20 0 BCADHN Cn1ncnc1CNC[C@H]1CCN1C1CCCC1 ZINC000639352847 355802031 /nfs/dbraw/zinc/80/20/31/355802031.db2.gz SKRAEPZOMZSFTB-GFCCVEGCSA-N 0 3 249.362 0.922 20 0 BCADHN C[C@H](CO)CN(C)CCN1CCCC1=O ZINC000608498362 355825994 /nfs/dbraw/zinc/82/59/94/355825994.db2.gz JNBKPBSVMYVHRP-JTQLQIEISA-N 0 3 214.309 0.169 20 0 BCADHN CCN(CC(=O)N(C)C)CC1(C)COC1 ZINC000608492367 355812472 /nfs/dbraw/zinc/81/24/72/355812472.db2.gz WDVWKXQWGQPLBU-UHFFFAOYSA-N 0 3 214.309 0.433 20 0 BCADHN CC(C)(F)CN[C@@H]1CCCNC(=O)C1 ZINC000639358389 355812653 /nfs/dbraw/zinc/81/26/53/355812653.db2.gz JYVMEJYRYSMGJK-MRVPVSSYSA-N 0 3 202.273 0.993 20 0 BCADHN CS(=O)(=O)N[C@H]1CCCN(CCC2CC2)C1 ZINC000608494951 355820945 /nfs/dbraw/zinc/82/09/45/355820945.db2.gz XYKCDRWZDHBTBO-NSHDSACASA-N 0 3 246.376 0.800 20 0 BCADHN C[C@H](CO)CN(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000608498588 355826896 /nfs/dbraw/zinc/82/68/96/355826896.db2.gz WIGWFWFRDSXKGJ-UWVGGRQHSA-N 0 3 230.352 0.850 20 0 BCADHN C[C@H](N[C@@H]1COC[C@@H]1O)[C@H]1CC1(F)F ZINC000639363482 355822631 /nfs/dbraw/zinc/82/26/31/355822631.db2.gz QAPAAKHBROQBQN-OSMVPFSASA-N 0 3 207.220 0.379 20 0 BCADHN NC(=O)C1CCN(CCc2ccncc2)CC1 ZINC000020940529 181216689 /nfs/dbraw/zinc/21/66/89/181216689.db2.gz HPWDHOSVLLVDEG-UHFFFAOYSA-N 0 3 233.315 0.821 20 0 BCADHN OCCN(CCO)Cc1ccc2c(c1)CCO2 ZINC000628369679 355876318 /nfs/dbraw/zinc/87/63/18/355876318.db2.gz QXSJRYXWWBKJAL-UHFFFAOYSA-N 0 3 237.299 0.408 20 0 BCADHN COc1ccc(CN[C@H](C)C[S@](C)=O)cn1 ZINC000166813884 355851325 /nfs/dbraw/zinc/85/13/25/355851325.db2.gz MCJJQKOVIKCTPG-JDNHERCYSA-N 0 3 242.344 0.947 20 0 BCADHN COc1ccc(CNCCC[S@@](C)=O)cn1 ZINC000166814341 355851404 /nfs/dbraw/zinc/85/14/04/355851404.db2.gz OAOLZMMRDIKIQV-INIZCTEOSA-N 0 3 242.344 0.948 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)Nc2nnc(C)s2)C1 ZINC000191874061 355859140 /nfs/dbraw/zinc/85/91/40/355859140.db2.gz CBQFHMREMUVKPK-NKWVEPMBSA-N 0 3 242.304 0.162 20 0 BCADHN CCO[C@H]1C[C@@H](N(CCO)CCO)C12CCC2 ZINC000628369899 355878547 /nfs/dbraw/zinc/87/85/47/355878547.db2.gz JKRXKZVTWADQRW-NEPJUHHUSA-N 0 3 243.347 0.621 20 0 BCADHN CCN(CCOC)C(=O)CN(C)C1CCC1 ZINC000608500834 355829448 /nfs/dbraw/zinc/82/94/48/355829448.db2.gz SCVZMHHPAMDHLN-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CO[C@@H](C(=O)N(C)CCN(C)C)C(C)C ZINC000354000755 355832474 /nfs/dbraw/zinc/83/24/74/355832474.db2.gz JMXOIILTTCNBAS-SNVBAGLBSA-N 0 3 216.325 0.677 20 0 BCADHN CO[C@@H](CNC1(C)COC1)[C@H]1CCOC1 ZINC000639381125 355917862 /nfs/dbraw/zinc/91/78/62/355917862.db2.gz QBNUGTAUYUMAST-UWVGGRQHSA-N 0 3 215.293 0.416 20 0 BCADHN CN1CC=C(CNC(=O)c2ncc[nH]2)CC1 ZINC000613268055 355919217 /nfs/dbraw/zinc/91/92/17/355919217.db2.gz YISNAKOZLDYTIP-UHFFFAOYSA-N 0 3 220.276 0.401 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)N(C)CCOC ZINC000608698429 355926318 /nfs/dbraw/zinc/92/63/18/355926318.db2.gz VASDEATWMBFKHG-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc(C)cc1O ZINC000583627669 355933279 /nfs/dbraw/zinc/93/32/79/355933279.db2.gz SJYOOORQFIXTSM-JTQLQIEISA-N 0 3 224.260 0.613 20 0 BCADHN O[C@H](CNCC1(F)CC1)[C@@H]1CCOC1 ZINC000389215398 355884459 /nfs/dbraw/zinc/88/44/59/355884459.db2.gz KEICZZSWHKBXNA-RKDXNWHRSA-N 0 3 203.257 0.476 20 0 BCADHN COCCCC(=O)N1CCN(C)CC[C@H]1C ZINC000354011646 355950016 /nfs/dbraw/zinc/95/00/16/355950016.db2.gz YASGGYZEOXQJRF-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CCc2nc(C)cn2C1 ZINC000167157114 355961863 /nfs/dbraw/zinc/96/18/63/355961863.db2.gz YKEAHJKRFKJJFY-UWVGGRQHSA-N 0 3 236.319 0.360 20 0 BCADHN CC(C)N1CCN(CCc2ccnn2C)CC1 ZINC000351622594 356031846 /nfs/dbraw/zinc/03/18/46/356031846.db2.gz WQYDKZQRFDOHBT-UHFFFAOYSA-N 0 3 236.363 0.989 20 0 BCADHN CCN(C)C(=O)CN(CCO)[C@H]1CC[C@H](C)C1 ZINC000351632634 356037573 /nfs/dbraw/zinc/03/75/73/356037573.db2.gz XMHBPLNGCJSAMY-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](CC1CCC1)NCc1cnc(N)nc1N ZINC000639389725 356019845 /nfs/dbraw/zinc/01/98/45/356019845.db2.gz NJZUGHIHBGEHJU-QMMMGPOBSA-N 0 3 235.335 0.970 20 0 BCADHN c1cc(N2CC(NCCC[C@@H]3CCO3)C2)ncn1 ZINC000639390174 356021381 /nfs/dbraw/zinc/02/13/81/356021381.db2.gz ADYRPLYRBBXAQN-GFCCVEGCSA-N 0 3 248.330 0.824 20 0 BCADHN CO[C@H](CNC1CN(c2ccncn2)C1)C1CC1 ZINC000639390703 356030527 /nfs/dbraw/zinc/03/05/27/356030527.db2.gz KEMISPCGGXMUAQ-GFCCVEGCSA-N 0 3 248.330 0.680 20 0 BCADHN CCN(C(=O)Cc1cncnc1)[C@H]1CCN(C)C1 ZINC000617551327 356106590 /nfs/dbraw/zinc/10/65/90/356106590.db2.gz PHWSIMLADFECCK-LBPRGKRZSA-N 0 3 248.330 0.572 20 0 BCADHN CCOCCC(=O)NC[C@](C)(O)CCN(C)C ZINC000352125668 134074760 /nfs/dbraw/zinc/07/47/60/134074760.db2.gz KHXHSAMQGGSMTP-GFCCVEGCSA-N 0 3 246.351 0.232 20 0 BCADHN C[C@@H]1[C@@H](C)N(Cc2cnn(C)c2)CCN1C ZINC000335911998 356128175 /nfs/dbraw/zinc/12/81/75/356128175.db2.gz ANYHXBROJIPQID-GHMZBOCLSA-N 0 3 222.336 0.945 20 0 BCADHN CCN(C(=O)[C@H]1CCOC1)[C@H]1CCN(C)C1 ZINC000617556184 356110051 /nfs/dbraw/zinc/11/00/51/356110051.db2.gz LDHVYRMNQDUUON-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN CCN(C(=O)[C@H]1CCCO1)[C@H]1CCN(C)C1 ZINC000617553537 356110631 /nfs/dbraw/zinc/11/06/31/356110631.db2.gz KDEBJKVZZCOJLN-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN CC[C@H](C(=O)N(CC)[C@H]1CCN(C)C1)N(C)C ZINC000617553722 356110779 /nfs/dbraw/zinc/11/07/79/356110779.db2.gz OVURQJOWIWPDPV-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN CCN(C(=O)[C@@H]1CCCO1)[C@@H]1CCN(C)C1 ZINC000617553535 356110981 /nfs/dbraw/zinc/11/09/81/356110981.db2.gz KDEBJKVZZCOJLN-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN CCN(C(=O)c1cccc(=O)[nH]1)[C@@H]1CCN(C)C1 ZINC000617554464 356111009 /nfs/dbraw/zinc/11/10/09/356111009.db2.gz CLSZZACYJSRACN-SNVBAGLBSA-N 0 3 249.314 0.953 20 0 BCADHN CCN(C(=O)c1cc(C)n[nH]1)[C@@H]1CCN(C)C1 ZINC000617556953 356114140 /nfs/dbraw/zinc/11/41/40/356114140.db2.gz AWRZALHAYCCIPQ-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN CCN(C(=O)c1cc(C)[nH]n1)[C@@H]1CCN(C)C1 ZINC000617556953 356114144 /nfs/dbraw/zinc/11/41/44/356114144.db2.gz AWRZALHAYCCIPQ-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN CCCN(C)CC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000617556773 356114309 /nfs/dbraw/zinc/11/43/09/356114309.db2.gz XHUCGKCVRJPWFA-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000617557977 356116420 /nfs/dbraw/zinc/11/64/20/356116420.db2.gz XOSYBLGDQBXRGL-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000617557975 356116556 /nfs/dbraw/zinc/11/65/56/356116556.db2.gz XOSYBLGDQBXRGL-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCN(C)C1 ZINC000617561426 356117474 /nfs/dbraw/zinc/11/74/74/356117474.db2.gz KYWLCHQCMHDFTP-WYUUTHIRSA-N 0 3 238.331 0.431 20 0 BCADHN COC(C)(C)C(=O)NC[C@@](C)(O)CCN(C)C ZINC000352126554 134075037 /nfs/dbraw/zinc/07/50/37/134075037.db2.gz VDGKQZNAZVWNHY-LBPRGKRZSA-N 0 3 246.351 0.230 20 0 BCADHN CCN(C(=O)c1cnn(C)c1)[C@@H]1CCN(C)C1 ZINC000617560319 356119792 /nfs/dbraw/zinc/11/97/92/356119792.db2.gz MGDGNTIVZHXWTF-LLVKDONJSA-N 0 3 236.319 0.586 20 0 BCADHN CCN(C(=O)[C@@H](O)C1CCC1)[C@@H]1CCN(C)C1 ZINC000617561023 356121139 /nfs/dbraw/zinc/12/11/39/356121139.db2.gz CHHVHYYYEJZSGZ-NEPJUHHUSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](F)CCN(C)CCNC(=O)N(C)C ZINC000351734148 356073311 /nfs/dbraw/zinc/07/33/11/356073311.db2.gz GVFWXBFZTSMIPC-VIFPVBQESA-N 0 3 219.304 0.938 20 0 BCADHN Cc1ncc(CN[C@@H]2CCCC[C@@H]2C(N)=O)cn1 ZINC000351733653 356073837 /nfs/dbraw/zinc/07/38/37/356073837.db2.gz COIISLQADBVGQP-NWDGAFQWSA-N 0 3 248.330 0.919 20 0 BCADHN C[C@@H]1CN([C@H]2CCN(C3CC3)C2=O)C[C@H]1O ZINC000351823688 356091745 /nfs/dbraw/zinc/09/17/45/356091745.db2.gz NLMNPOWEYYCGIU-DVVUODLYSA-N 0 3 224.304 0.062 20 0 BCADHN CCN(C(=O)Cn1ccnc1)[C@H]1CCN(C)C1 ZINC000617550211 356092526 /nfs/dbraw/zinc/09/25/26/356092526.db2.gz LLLQITKUKQNPPA-NSHDSACASA-N 0 3 236.319 0.436 20 0 BCADHN CCOC1CC(CN(C)CC(N)=O)C1 ZINC000351843040 356096031 /nfs/dbraw/zinc/09/60/31/356096031.db2.gz BQIGMISNRWTZDW-UHFFFAOYSA-N 0 3 200.282 0.219 20 0 BCADHN CC(C)[C@H](C)N(C)CCS(=O)(=O)N(C)C ZINC000351859925 356098606 /nfs/dbraw/zinc/09/86/06/356098606.db2.gz PNLYJTVMNOSPLD-JTQLQIEISA-N 0 3 236.381 0.854 20 0 BCADHN CC[C@H](CNC(=O)N1C[C@@H](C)NC[C@H]1C)OC ZINC000418231040 192002079 /nfs/dbraw/zinc/00/20/79/192002079.db2.gz FOLGCVHOBZKOPF-GMTAPVOTSA-N 0 3 243.351 0.803 20 0 BCADHN COCC(=O)N1CCC(OCCN(C)C)CC1 ZINC000351892785 356158801 /nfs/dbraw/zinc/15/88/01/356158801.db2.gz KEMRBQWHPZTBNU-UHFFFAOYSA-N 0 3 244.335 0.202 20 0 BCADHN NC(=O)NC(=O)CN1CCC2(CCC2)C1 ZINC000123333477 181254345 /nfs/dbraw/zinc/25/43/45/181254345.db2.gz BZLMATMZJBJHBH-UHFFFAOYSA-N 0 3 211.265 0.057 20 0 BCADHN NC(=O)NC(=O)CN1CCC[C@@H]1C1CC1 ZINC000377533023 181254959 /nfs/dbraw/zinc/25/49/59/181254959.db2.gz DSYRNCDIMHNKIW-MRVPVSSYSA-N 0 3 211.265 0.056 20 0 BCADHN CCCS(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000113750858 535297224 /nfs/dbraw/zinc/29/72/24/535297224.db2.gz LWJUYDVZEOJINM-JTQLQIEISA-N 0 3 234.365 0.752 20 0 BCADHN CC[C@@H](C(=O)N1CCN(C)CC[C@@H]1C)N(C)C ZINC000336084041 134076055 /nfs/dbraw/zinc/07/60/55/134076055.db2.gz VFEFSSXGSFJOIP-RYUDHWBXSA-N 0 3 241.379 0.879 20 0 BCADHN CSC[C@H]1CCCN([C@H]2CCNC2=O)C1 ZINC000335914123 356147253 /nfs/dbraw/zinc/14/72/53/356147253.db2.gz ZVUJXJRHQVJFMD-UWVGGRQHSA-N 0 3 228.361 0.950 20 0 BCADHN NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000180493443 181259140 /nfs/dbraw/zinc/25/91/40/181259140.db2.gz VQGORAHWVDZUQQ-LBPRGKRZSA-N 0 3 249.314 0.422 20 0 BCADHN CC[C@@H](O)CN1CC[C@H](c2nc(C)no2)C1 ZINC000332426325 356215061 /nfs/dbraw/zinc/21/50/61/356215061.db2.gz UGPUWTUDWSDPLP-VHSXEESVSA-N 0 3 225.292 0.938 20 0 BCADHN CC(C)N(CC(N)=O)C[C@H]1CCO[C@H]1C ZINC000639439814 356216363 /nfs/dbraw/zinc/21/63/63/356216363.db2.gz KRDQVCBPVVRMGB-VHSXEESVSA-N 0 3 214.309 0.607 20 0 BCADHN CC(C)N(CC(N)=O)C[C@@H]1CCO[C@@H]1C ZINC000639439815 356216813 /nfs/dbraw/zinc/21/68/13/356216813.db2.gz KRDQVCBPVVRMGB-ZJUUUORDSA-N 0 3 214.309 0.607 20 0 BCADHN CC[C@@H](C)CCNC(=O)C(C)S(C)(=O)=O ZINC000617634350 356218256 /nfs/dbraw/zinc/21/82/56/356218256.db2.gz VLPULPIMCUQOCT-BDAKNGLRSA-N 0 3 235.349 0.972 20 0 BCADHN NC(=O)N[C@@H]1CCN(CCc2cccnc2)C1 ZINC000270695430 181260704 /nfs/dbraw/zinc/26/07/04/181260704.db2.gz WZIIVDBZKAVOJY-LLVKDONJSA-N 0 3 234.303 0.367 20 0 BCADHN O[C@H]1CCCN(C[C@H]2CCc3ncnn32)C1 ZINC000639444872 356223967 /nfs/dbraw/zinc/22/39/67/356223967.db2.gz PDDWDBJUSLAADV-ZJUUUORDSA-N 0 3 222.292 0.222 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCN(CCO)CC1 ZINC000639444156 356225341 /nfs/dbraw/zinc/22/53/41/356225341.db2.gz HXTZRUCFJZMYME-RYUDHWBXSA-N 0 3 228.336 0.021 20 0 BCADHN Cc1ncc(CC(=O)NCCN(C)C)o1 ZINC000639449365 356230251 /nfs/dbraw/zinc/23/02/51/356230251.db2.gz ZBZDSYXKVCVEQB-UHFFFAOYSA-N 0 3 211.265 0.203 20 0 BCADHN CCCCN(CC(N)=O)C[C@H]1CCO[C@H]1C ZINC000639452402 356232856 /nfs/dbraw/zinc/23/28/56/356232856.db2.gz AZLQRMSTLZJNAF-WDEREUQCSA-N 0 3 228.336 0.999 20 0 BCADHN NC(=O)N[C@@H]1CCN(CCc2ccncc2)C1 ZINC000270636759 181260102 /nfs/dbraw/zinc/26/01/02/181260102.db2.gz MLATURKXTMXLOG-LLVKDONJSA-N 0 3 234.303 0.367 20 0 BCADHN CCN(CC(=O)N(C)C)C[C@H]1CCO[C@@H]1C ZINC000639449754 356233972 /nfs/dbraw/zinc/23/39/72/356233972.db2.gz AVFLLSKGWRDPPO-GHMZBOCLSA-N 0 3 228.336 0.822 20 0 BCADHN CCn1cnc2c1ncnc2N1CCN[C@@H](C)C1 ZINC000420234350 192181601 /nfs/dbraw/zinc/18/16/01/192181601.db2.gz HPVVVORBKCZSNH-VIFPVBQESA-N 0 3 246.318 0.644 20 0 BCADHN Cc1nccc(N2CCNC[C@@](C)(F)C2)n1 ZINC000420262646 192191323 /nfs/dbraw/zinc/19/13/23/192191323.db2.gz MWCWKUBDMNHRIE-LLVKDONJSA-N 0 3 224.283 0.923 20 0 BCADHN NC(=O)N[C@H]1CCN([C@H]2C=CCCC2)C1 ZINC000270628698 181261858 /nfs/dbraw/zinc/26/18/58/181261858.db2.gz LFHJBPBZXPUWSV-UWVGGRQHSA-N 0 3 209.293 0.838 20 0 BCADHN NC(=O)N[C@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC000270706081 181261977 /nfs/dbraw/zinc/26/19/77/181261977.db2.gz YUUYZXHUKMPSDQ-NWDGAFQWSA-N 0 3 249.314 0.463 20 0 BCADHN CCc1nnc2ccc(N3CCNC[C@@H]3C)nn21 ZINC000420217082 192192823 /nfs/dbraw/zinc/19/28/23/192192823.db2.gz IAJYPAGZRYPAOU-VIFPVBQESA-N 0 3 246.318 0.485 20 0 BCADHN C[C@H]1CNCCN1c1ncnc2n[nH]cc21 ZINC000420220906 192193601 /nfs/dbraw/zinc/19/36/01/192193601.db2.gz WUONPKHCWLOZBI-ZETCQYMHSA-N 0 3 218.264 0.151 20 0 BCADHN CNC(=O)CCN(C)C[C@@H]1CC(C)(C)CO1 ZINC000639470866 356262019 /nfs/dbraw/zinc/26/20/19/356262019.db2.gz JLPKIUMZBQNMAS-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CCn1cnc2c1ncnc2N1CCNC[C@@H]1C ZINC000420219205 192194163 /nfs/dbraw/zinc/19/41/63/192194163.db2.gz PKJMBHZJFNAGCD-VIFPVBQESA-N 0 3 246.318 0.644 20 0 BCADHN C[C@H](O)CN1CCN(C[C@@H]2CCO[C@H]2C)CC1 ZINC000639474857 356269731 /nfs/dbraw/zinc/26/97/31/356269731.db2.gz WFFGPHMUGGAKAG-AVGNSLFASA-N 0 3 242.363 0.410 20 0 BCADHN C[C@H](O)CN1CCN(C[C@H]2CCO[C@@H]2C)CC1 ZINC000639474866 356269898 /nfs/dbraw/zinc/26/98/98/356269898.db2.gz WFFGPHMUGGAKAG-YNEHKIRRSA-N 0 3 242.363 0.410 20 0 BCADHN 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/nfs/dbraw/zinc/21/48/05/192214805.db2.gz HODKBUQBXVGUHH-LBPRGKRZSA-N 0 3 245.342 0.536 20 0 BCADHN CC(C)CNC(=O)[C@@H](C)N(CCO)CC1CC1 ZINC000352481146 356367655 /nfs/dbraw/zinc/36/76/55/356367655.db2.gz DDKSQMLJPSLGSO-LLVKDONJSA-N 0 3 242.363 0.851 20 0 BCADHN COC(=O)CCN1CCNC[C@](C)(F)C1 ZINC000420339222 192215823 /nfs/dbraw/zinc/21/58/23/192215823.db2.gz SDDWSEKXEPYMJV-JTQLQIEISA-N 0 3 218.272 0.183 20 0 BCADHN CCCC[C@H](C)N(C)CC(=O)NC(N)=O ZINC000352411340 356342050 /nfs/dbraw/zinc/34/20/50/356342050.db2.gz XUOCCHMDSPXVPR-QMMMGPOBSA-N 0 3 215.297 0.692 20 0 BCADHN CC(C)CNC(=O)CN1CCNC[C@](C)(F)C1 ZINC000420342553 192216673 /nfs/dbraw/zinc/21/66/73/192216673.db2.gz QYYPSTFMYVCBER-LBPRGKRZSA-N 0 3 245.342 0.392 20 0 BCADHN CCOC(=O)[C@H](C)N1CCNC[C@@](C)(F)C1 ZINC000420337631 192216722 /nfs/dbraw/zinc/21/67/22/192216722.db2.gz RGAMZXNGNQGIPL-GXSJLCMTSA-N 0 3 232.299 0.571 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCN2C(=O)NC[C@H]2C1 ZINC000639513558 356351358 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238.331 0.452 20 0 BCADHN CCOCCN(C)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000639558230 356462416 /nfs/dbraw/zinc/46/24/16/356462416.db2.gz CCZVSWQBLWGRHX-STQMWFEESA-N 0 3 245.363 0.867 20 0 BCADHN CCOCCN(C)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000639558229 356462459 /nfs/dbraw/zinc/46/24/59/356462459.db2.gz CCZVSWQBLWGRHX-QWHCGFSZSA-N 0 3 245.363 0.867 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)c1ncc[nH]1 ZINC000580356949 356433700 /nfs/dbraw/zinc/43/37/00/356433700.db2.gz YIOOHQUINKMJDU-SECBINFHSA-N 0 3 224.308 0.929 20 0 BCADHN Cn1nc2c(cc1=O)CN(CC1(C)CC1)CC2 ZINC000580387965 356440764 /nfs/dbraw/zinc/44/07/64/356440764.db2.gz SUCALMHLBISPLZ-UHFFFAOYSA-N 0 3 233.315 0.939 20 0 BCADHN C[C@H]1COCCN1CCN(C)[C@@H]1CCCOC1 ZINC000352219645 134109261 /nfs/dbraw/zinc/10/92/61/134109261.db2.gz DYISNQXFFCBEGE-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@H](C(=O)N(C)c1ccccc1)N1CCNCC1 ZINC000019977274 356485834 /nfs/dbraw/zinc/48/58/34/356485834.db2.gz OLTCBNTWFONHQZ-LBPRGKRZSA-N 0 3 247.342 0.943 20 0 BCADHN 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CC(C)CC[C@H](O)CN(CC(N)=O)C(C)C ZINC000361214068 356920046 /nfs/dbraw/zinc/92/00/46/356920046.db2.gz CPFVGIKTLIXZJS-NSHDSACASA-N 0 3 230.352 0.979 20 0 BCADHN CN(C)CCNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000041225072 356900856 /nfs/dbraw/zinc/90/08/56/356900856.db2.gz MJHLYOVSGUZGMM-UHFFFAOYSA-N 0 3 249.270 0.825 20 0 BCADHN CN(C)C1(CNc2ccncc2C#N)CC1 ZINC000399553114 356976979 /nfs/dbraw/zinc/97/69/79/356976979.db2.gz ANEMWFKSJMDBCO-UHFFFAOYSA-N 0 3 216.288 0.881 20 0 BCADHN CC[C@@H](O)CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368966760 356980756 /nfs/dbraw/zinc/98/07/56/356980756.db2.gz RBAMIQRZPLEGJL-ZRUFSTJUSA-N 0 3 226.320 0.343 20 0 BCADHN CC[C@@H](O)CN1CCC[C@]2(CNC(=O)O2)C1 ZINC000369024054 356981678 /nfs/dbraw/zinc/98/16/78/356981678.db2.gz BGPYPWUJCGENSF-KOLCDFICSA-N 0 3 228.292 0.332 20 0 BCADHN COCCCCN1CCN(C)C[C@H]1CO ZINC000639867165 356989528 /nfs/dbraw/zinc/98/95/28/356989528.db2.gz KTPIQQCJJCNRNR-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN CN1CCN(CCC2CCC2)[C@@H](CO)C1 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/nfs/dbraw/zinc/05/32/76/357053276.db2.gz HNHLYIHHQRHYJN-NSHDSACASA-N 0 3 246.376 0.799 20 0 BCADHN CN1C[C@H](NCc2cccc3n[nH]cc32)CC1=O ZINC000623393639 357003074 /nfs/dbraw/zinc/00/30/74/357003074.db2.gz MCTYIZIMOSSTQZ-SNVBAGLBSA-N 0 3 244.298 0.883 20 0 BCADHN COC1(CCN2CCN(C)C[C@H]2CO)CCC1 ZINC000639868227 357004760 /nfs/dbraw/zinc/00/47/60/357004760.db2.gz SSRNGFMEWAIXOZ-LBPRGKRZSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H]1CCNC[C@H]1NS(=O)(=O)CCCF ZINC000193402229 357017142 /nfs/dbraw/zinc/01/71/42/357017142.db2.gz SUKFPDVFHBLMRJ-RKDXNWHRSA-N 0 3 238.328 0.263 20 0 BCADHN COC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC000582369270 357110838 /nfs/dbraw/zinc/11/08/38/357110838.db2.gz HHQRVNVKRZYANL-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN CNC(=O)[C@H]1CCC[C@H]1NCC1(F)CC1 ZINC000389889302 357062129 /nfs/dbraw/zinc/06/21/29/357062129.db2.gz UTKBWCIUKHNBTJ-DTWKUNHWSA-N 0 3 214.284 0.993 20 0 BCADHN CC1(C)CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000372121135 357065731 /nfs/dbraw/zinc/06/57/31/357065731.db2.gz JHJZMDFGAZTYKA-NSHDSACASA-N 0 3 230.283 0.325 20 0 BCADHN CN(C)C(=O)CCNC[C@@](C)(O)C(F)(F)F ZINC000390341696 357090109 /nfs/dbraw/zinc/09/01/09/357090109.db2.gz NCNXXJSRECTZLH-MRVPVSSYSA-N 0 3 242.241 0.368 20 0 BCADHN CC(C)CC[C@H](O)CN1CCNC(=O)C[C@H]1C ZINC000373604191 357138315 /nfs/dbraw/zinc/13/83/15/357138315.db2.gz OWPABWHGCKHIQK-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN O=C1CNC(=O)N1[C@H]1CCN(CC2CC2)C1 ZINC000585379542 538801585 /nfs/dbraw/zinc/80/15/85/538801585.db2.gz LRIWHXKPINCQBP-VIFPVBQESA-N 0 3 223.276 0.023 20 0 BCADHN Cc1nc(CCN[C@H](C)c2nccn2C)n[nH]1 ZINC000392334402 357149250 /nfs/dbraw/zinc/14/92/50/357149250.db2.gz FXHKDODTFIZIBH-MRVPVSSYSA-N 0 3 234.307 0.740 20 0 BCADHN Cc1n[nH]c(CCN[C@H](C)c2nccn2C)n1 ZINC000392334402 357149255 /nfs/dbraw/zinc/14/92/55/357149255.db2.gz FXHKDODTFIZIBH-MRVPVSSYSA-N 0 3 234.307 0.740 20 0 BCADHN Cc1nc(CCN[C@H](C)c2cnccn2)n[nH]1 ZINC000392411023 357150279 /nfs/dbraw/zinc/15/02/79/357150279.db2.gz AYAZQTSVUDFIQB-MRVPVSSYSA-N 0 3 232.291 0.796 20 0 BCADHN Cc1n[nH]c(CCN[C@H](C)c2cnccn2)n1 ZINC000392411023 357150284 /nfs/dbraw/zinc/15/02/84/357150284.db2.gz AYAZQTSVUDFIQB-MRVPVSSYSA-N 0 3 232.291 0.796 20 0 BCADHN Cc1nc([C@H](C)N[C@@H]2C[C@H](O)C2(C)C)n[nH]1 ZINC000392396071 357150379 /nfs/dbraw/zinc/15/03/79/357150379.db2.gz ZJLSIFDULVRMTP-ZQARSLAVSA-N 0 3 224.308 0.923 20 0 BCADHN C[C@@H]1CN(c2ncnc3c2cnn3C)C[C@H](C)N1 ZINC000053711778 357157573 /nfs/dbraw/zinc/15/75/73/357157573.db2.gz RQHIYQVEZHPWEO-DTORHVGOSA-N 0 3 246.318 0.550 20 0 BCADHN C[C@H]1CCN(CCc2cnccn2)C[C@@H]1CO ZINC000639884226 357158274 /nfs/dbraw/zinc/15/82/74/357158274.db2.gz DKACVFORWJDCMQ-NWDGAFQWSA-N 0 3 235.331 0.969 20 0 BCADHN Nc1nc(N)nc(N2CCC[C@@H]2C2CC2)n1 ZINC000623936552 357160986 /nfs/dbraw/zinc/16/09/86/357160986.db2.gz AXAXCENBJOXWMH-SSDOTTSWSA-N 0 3 220.280 0.076 20 0 BCADHN O=C(CNC1(C2CC2)CC1)N1CCNC1=O ZINC000390788825 357116725 /nfs/dbraw/zinc/11/67/25/357116725.db2.gz AMJPKTQEZDYPCH-UHFFFAOYSA-N 0 3 223.276 0.070 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@@H]1CC=CCC1 ZINC000085620469 357124145 /nfs/dbraw/zinc/12/41/45/357124145.db2.gz WRTNBJPDEFUFHY-GHMZBOCLSA-N 0 3 224.304 0.590 20 0 BCADHN Cc1cc(CNC[C@H](O)Cn2cccn2)ccn1 ZINC000391190962 357126193 /nfs/dbraw/zinc/12/61/93/357126193.db2.gz RFVDTHJCTVRYMG-ZDUSSCGKSA-N 0 3 246.314 0.737 20 0 BCADHN COCCN1CCN(CC[C@H]2CCCO2)CC1 ZINC000188709090 357193786 /nfs/dbraw/zinc/19/37/86/357193786.db2.gz OSBZEESGQDTIMG-CYBMUJFWSA-N 0 3 242.363 0.820 20 0 BCADHN CC[C@H]1C[C@@H](NC2CN(c3ccncn3)C2)CO1 ZINC000631257124 357193865 /nfs/dbraw/zinc/19/38/65/357193865.db2.gz WCAJVQUWBQRIPX-PWSUYJOCSA-N 0 3 248.330 0.822 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCN1CC=CCC1 ZINC000392824600 357239987 /nfs/dbraw/zinc/23/99/87/357239987.db2.gz USRJLCFQVMCJGW-LLVKDONJSA-N 0 3 237.347 0.505 20 0 BCADHN CN(CCc1cnccn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000639892891 357223616 /nfs/dbraw/zinc/22/36/16/357223616.db2.gz AJKVIMZOJZKBGZ-JGZJWPJOSA-N 0 3 234.303 0.215 20 0 BCADHN O[C@H]1CN(Cc2ccc3[nH]cnc3c2)C[C@@H]1O ZINC000628414953 357231683 /nfs/dbraw/zinc/23/16/83/357231683.db2.gz YEACGABATJTART-RYUDHWBXSA-N 0 3 233.271 0.100 20 0 BCADHN O[C@H]1CN(Cc2ccc3nc[nH]c3c2)C[C@@H]1O ZINC000628414953 357231685 /nfs/dbraw/zinc/23/16/85/357231685.db2.gz YEACGABATJTART-RYUDHWBXSA-N 0 3 233.271 0.100 20 0 BCADHN C[C@@H](CN1C[C@H](O)[C@@H](O)C1)c1ccc(F)cc1 ZINC000628414939 357231847 /nfs/dbraw/zinc/23/18/47/357231847.db2.gz XKYHBBBIKPQSCI-XDTLVQLUSA-N 0 3 239.290 0.967 20 0 BCADHN CO[C@H](C)[C@@H](C)NCC(C)(C)S(C)(=O)=O ZINC000157137852 538811162 /nfs/dbraw/zinc/81/11/62/538811162.db2.gz CSORVWLJIXJGMO-RKDXNWHRSA-N 0 3 237.365 0.823 20 0 BCADHN C[C@@H]1CCN(CCNCc2csnn2)C1 ZINC000393622832 357290920 /nfs/dbraw/zinc/29/09/20/357290920.db2.gz MBWYODRWZKAEBT-SECBINFHSA-N 0 3 226.349 0.970 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCN1CC=CCC1 ZINC000392857763 357254130 /nfs/dbraw/zinc/25/41/30/357254130.db2.gz MNOYPDXYXOHCGB-LLVKDONJSA-N 0 3 225.336 0.348 20 0 BCADHN Cc1ncc(CN[C@H]2C[C@H](C(N)=O)C2)o1 ZINC000628426905 357257974 /nfs/dbraw/zinc/25/79/74/357257974.db2.gz UADSYFZTJMZFRP-ZKCHVHJHSA-N 0 3 209.249 0.337 20 0 BCADHN O=C(CNC1CC1)NCCN1CC=CCC1 ZINC000392875203 357261613 /nfs/dbraw/zinc/26/16/13/357261613.db2.gz FXGMQTIWNWFEIX-UHFFFAOYSA-N 0 3 223.320 0.117 20 0 BCADHN CC[C@H]1CN(C)CCN1CC[C@H](C)O ZINC000582722056 357372657 /nfs/dbraw/zinc/37/26/57/357372657.db2.gz NBUATDBQFRRHBN-QWRGUYRKSA-N 0 3 200.326 0.783 20 0 BCADHN CC(=O)N[C@H]1CCN([C@H]2COC(C)(C)C2)C1 ZINC000660832700 491110248 /nfs/dbraw/zinc/11/02/48/491110248.db2.gz GWUCFOXXZBCAIJ-WDEREUQCSA-N 0 3 226.320 0.764 20 0 BCADHN C[NH2+]CCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000582484230 357317451 /nfs/dbraw/zinc/31/74/51/357317451.db2.gz GAQRNNXIWPOGIV-UHFFFAOYSA-N 0 3 246.274 0.415 20 0 BCADHN C[NH2+]CCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000582484230 357317452 /nfs/dbraw/zinc/31/74/52/357317452.db2.gz GAQRNNXIWPOGIV-UHFFFAOYSA-N 0 3 246.274 0.415 20 0 BCADHN C[NH2+]CCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000582484230 357317457 /nfs/dbraw/zinc/31/74/57/357317457.db2.gz GAQRNNXIWPOGIV-UHFFFAOYSA-N 0 3 246.274 0.415 20 0 BCADHN CC(=O)N[C@@H]1CCN([C@@H]2COC(C)(C)C2)C1 ZINC000660832690 491110285 /nfs/dbraw/zinc/11/02/85/491110285.db2.gz GWUCFOXXZBCAIJ-MNOVXSKESA-N 0 3 226.320 0.764 20 0 BCADHN CSC[C@H](O)CN[C@@H]1CC(=O)N(C2CC2)C1 ZINC000582541522 357340300 /nfs/dbraw/zinc/34/03/00/357340300.db2.gz KZTOBLGUDBIIFC-PSASIEDQSA-N 0 3 244.360 0.063 20 0 BCADHN CNC(=O)[C@H](C)N[C@@H]1[C@@H](C)[C@H](OC)C12CCC2 ZINC000582599253 357347479 /nfs/dbraw/zinc/34/74/79/357347479.db2.gz YWQCIZXCROSMPX-YTWAJWBKSA-N 0 3 240.347 0.914 20 0 BCADHN O[C@@H]1CC[C@H]1NCc1c[nH]c2nccnc12 ZINC000394474000 357352611 /nfs/dbraw/zinc/35/26/11/357352611.db2.gz ZMCAQTQDRJAWFW-RKDXNWHRSA-N 0 3 218.260 0.522 20 0 BCADHN C[C@@H](CNC(=O)COC[C@@H]1CCCO1)N(C)C ZINC000582712383 357369023 /nfs/dbraw/zinc/36/90/23/357369023.db2.gz BHALAKUWZKWILT-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN Cc1n[nH]cc1CNC[C@H](O)CN(C)C1CC1 ZINC000582780438 357390560 /nfs/dbraw/zinc/39/05/60/357390560.db2.gz PKQAUIMRSMWOPO-LBPRGKRZSA-N 0 3 238.335 0.263 20 0 BCADHN CCn1nc(C)c(CNC(=O)CNC)c1C ZINC000582782819 357390825 /nfs/dbraw/zinc/39/08/25/357390825.db2.gz CUNAADOHDNRCDX-UHFFFAOYSA-N 0 3 224.308 0.355 20 0 BCADHN COC(=O)CCCN1CCNC[C@@H]1C(F)F ZINC000582785356 357393250 /nfs/dbraw/zinc/39/32/50/357393250.db2.gz CNGUEYKEDJKWRC-MRVPVSSYSA-N 0 3 236.262 0.479 20 0 BCADHN CCOCCNC(=O)[C@@H](C)NC1CC1 ZINC000394913518 357394842 /nfs/dbraw/zinc/39/48/42/357394842.db2.gz XFEIQAHMNWGMNO-MRVPVSSYSA-N 0 3 200.282 0.280 20 0 BCADHN CCc1cnc(CN(C)C(=O)CN)s1 ZINC000178839597 357397113 /nfs/dbraw/zinc/39/71/13/357397113.db2.gz UJJYVIIWBVXVTD-UHFFFAOYSA-N 0 3 213.306 0.623 20 0 BCADHN CN(C(=O)c1ccc2n[n-]nc2c1)[C@H]1CC[NH2+]C1 ZINC000582844179 357414908 /nfs/dbraw/zinc/41/49/08/357414908.db2.gz WLXKGNVCOVTWPW-VIFPVBQESA-N 0 3 245.286 0.392 20 0 BCADHN C[C@@H](NC(=O)CN1CC[C@@H](C)C1)[C@H]1CCOC1 ZINC000582853561 357420420 /nfs/dbraw/zinc/42/04/20/357420420.db2.gz AWJFLGWCZGWLEN-UTUOFQBUSA-N 0 3 240.347 0.869 20 0 BCADHN CCCN(CC(F)F)C(=O)C1(N)CC1 ZINC000386986511 357432550 /nfs/dbraw/zinc/43/25/50/357432550.db2.gz BDFTWIHRUDMTFZ-UHFFFAOYSA-N 0 3 206.236 0.981 20 0 BCADHN CSCC[C@H](N)C(=O)NCC1CCC1 ZINC000040459601 357381897 /nfs/dbraw/zinc/38/18/97/357381897.db2.gz POXYMZDFCZCANC-VIFPVBQESA-N 0 3 216.350 0.983 20 0 BCADHN CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1O ZINC000582974240 357448898 /nfs/dbraw/zinc/44/88/98/357448898.db2.gz WJJOHQQEWXVUDD-IJLUTSLNSA-N 0 3 240.347 0.558 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N(C)C(C)(C)C ZINC000583025583 357455574 /nfs/dbraw/zinc/45/55/74/357455574.db2.gz FFFYEBLZNVAINK-QMMMGPOBSA-N 0 3 230.308 0.524 20 0 BCADHN CC1(C)CN(C(=O)c2ccc[nH]c2=O)CCN1 ZINC000396058420 357469716 /nfs/dbraw/zinc/46/97/16/357469716.db2.gz GKHPHVLRWBMEFO-UHFFFAOYSA-N 0 3 235.287 0.611 20 0 BCADHN CC(C)[NH2+]CCC(=O)NCc1ncccc1[O-] ZINC000583083651 357474310 /nfs/dbraw/zinc/47/43/10/357474310.db2.gz ZEFLKKNDMRLCAH-UHFFFAOYSA-N 0 3 237.303 0.792 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)CNC[C@@H]2CCCO2)CO1 ZINC000583085467 357475065 /nfs/dbraw/zinc/47/50/65/357475065.db2.gz FHNWTRNEJFAASE-VWYCJHECSA-N 0 3 242.319 0.049 20 0 BCADHN C[C@H](C[S@@](C)=O)N[C@@H]1COC(C)(C)C1 ZINC000396888365 357486600 /nfs/dbraw/zinc/48/66/00/357486600.db2.gz ILVRPFVYZTVHRN-TVLCNXBWSA-N 0 3 219.350 0.911 20 0 BCADHN C[C@@H](O)CC(C)(C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188621887 357567883 /nfs/dbraw/zinc/56/78/83/357567883.db2.gz QUJOLWWULKQWBI-KXUCPTDWSA-N 0 3 246.326 0.600 20 0 BCADHN COC[C@@H](NC(=O)CNC(C)C)C1CC1 ZINC000397410877 357515856 /nfs/dbraw/zinc/51/58/56/357515856.db2.gz QSDCBCPMSSIRHF-SNVBAGLBSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@H](CC(=O)N(C)CCN(C)C)n1ccnc1 ZINC000583207966 357520480 /nfs/dbraw/zinc/52/04/80/357520480.db2.gz RUCWWPAPFQOCRH-LLVKDONJSA-N 0 3 238.335 0.854 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H]2C[C@H](F)CN2)CCO1 ZINC000188307926 357526968 /nfs/dbraw/zinc/52/69/68/357526968.db2.gz GYOIDZYQLBSSHA-LPEHRKFASA-N 0 3 230.283 0.324 20 0 BCADHN C[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)[C@@H]1CCCO1 ZINC000188380862 357528417 /nfs/dbraw/zinc/52/84/17/357528417.db2.gz OFWPXXAAMZYEAF-RGOKHQFPSA-N 0 3 230.283 0.370 20 0 BCADHN C[C@H](NC(=O)[C@H]1C[C@H](F)CN1)[C@H]1CCCO1 ZINC000188380887 357528849 /nfs/dbraw/zinc/52/88/49/357528849.db2.gz OFWPXXAAMZYEAF-AXTSPUMRSA-N 0 3 230.283 0.370 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188383821 357530141 /nfs/dbraw/zinc/53/01/41/357530141.db2.gz UUQXGYUBFDMHOO-IVZWLZJFSA-N 0 3 230.283 0.324 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC[C@@](C)(O)CC1 ZINC000230375796 357531119 /nfs/dbraw/zinc/53/11/19/357531119.db2.gz YCWQWORDZAKKDW-ZYHUDNBSSA-N 0 3 228.336 0.700 20 0 BCADHN CCNC(=O)CN1CCC[C@@](C)(O)CC1 ZINC000230378997 357532363 /nfs/dbraw/zinc/53/23/63/357532363.db2.gz IANVWUQGCGDGNV-LLVKDONJSA-N 0 3 214.309 0.359 20 0 BCADHN CCNS(=O)(=O)N[C@@H](C)CN1CCCCC1 ZINC000188215853 357535257 /nfs/dbraw/zinc/53/52/57/357535257.db2.gz DWZHRULHURNXBI-JTQLQIEISA-N 0 3 249.380 0.305 20 0 BCADHN CC(C)COCCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188267796 357537357 /nfs/dbraw/zinc/53/73/57/357537357.db2.gz MUHRDCOLZVDONI-WDEREUQCSA-N 0 3 246.326 0.865 20 0 BCADHN C[C@H]1CN(C(=O)[C@H]2C[C@H](F)CN2)CC(C)(C)O1 ZINC000188433453 357553145 /nfs/dbraw/zinc/55/31/45/357553145.db2.gz MAINRCHVZKZWMJ-LPEHRKFASA-N 0 3 244.310 0.712 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@@H](COC)C1CC1 ZINC000188470349 357555655 /nfs/dbraw/zinc/55/56/55/357555655.db2.gz WKEKSPGTGBIGSK-KOLCDFICSA-N 0 3 228.336 0.868 20 0 BCADHN O=C([C@H]1C[C@H](F)CN1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000188572624 357562856 /nfs/dbraw/zinc/56/28/56/357562856.db2.gz SMOMHLJHMMOUOP-ZRUFSTJUSA-N 0 3 226.295 0.945 20 0 BCADHN CC(C)N(C[C@H](O)CO)C[C@@H]1CCCCO1 ZINC000359675809 538859216 /nfs/dbraw/zinc/85/92/16/538859216.db2.gz YTCCDKKUTRMYMK-RYUDHWBXSA-N 0 3 231.336 0.619 20 0 BCADHN CCNS(=O)(=O)N[C@@H](C)CN(CC)CC ZINC000360029216 538860371 /nfs/dbraw/zinc/86/03/71/538860371.db2.gz KMNHCNPCEFYQQG-VIFPVBQESA-N 0 3 237.369 0.161 20 0 BCADHN COC(C)(C)C(=O)N(C)C[C@@H]1CCCN1C ZINC000230996498 357586856 /nfs/dbraw/zinc/58/68/56/357586856.db2.gz SQISOFPEUKNZOC-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN Cc1cc(NC(=O)c2n[nH]c3c2CNCC3)n[nH]1 ZINC000188859325 357591990 /nfs/dbraw/zinc/59/19/90/357591990.db2.gz VNAYGCYDBFXRDU-UHFFFAOYSA-N 0 3 246.274 0.339 20 0 BCADHN C[C@@H](c1nnnn1C)N1CCN2CCC[C@@H]2C1 ZINC000189224708 357610923 /nfs/dbraw/zinc/61/09/23/357610923.db2.gz IMLLXOXRNLZKFN-VHSXEESVSA-N 0 3 236.323 0.051 20 0 BCADHN CNC(=O)CC(=O)N(C)CC1(N(C)C)CCC1 ZINC000189522394 357643369 /nfs/dbraw/zinc/64/33/69/357643369.db2.gz JRKFEXOKAIVUPD-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN O=C1NC[C@@H]2[C@H]1CCCN2CCCCCO ZINC000232296805 357655868 /nfs/dbraw/zinc/65/58/68/357655868.db2.gz BSEQOEJONSKHKG-GHMZBOCLSA-N 0 3 226.320 0.359 20 0 BCADHN CC(C)NC(=O)CN[C@H]1CCO[C@H]1C1CC1 ZINC000232632546 357669736 /nfs/dbraw/zinc/66/97/36/357669736.db2.gz QDNWUZVMYHVXKT-JQWIXIFHSA-N 0 3 226.320 0.668 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000232631030 357669846 /nfs/dbraw/zinc/66/98/46/357669846.db2.gz QDNWUZVMYHVXKT-PWSUYJOCSA-N 0 3 226.320 0.668 20 0 BCADHN C=Cn1cc(CN[C@@H]2CCC(=O)NC2)cn1 ZINC000232572177 357672069 /nfs/dbraw/zinc/67/20/69/357672069.db2.gz OPOYNOWOCLXVAS-SNVBAGLBSA-N 0 3 220.276 0.352 20 0 BCADHN CNC(=O)[C@@H](NCCOCC(F)F)C(C)C ZINC000189847663 357674169 /nfs/dbraw/zinc/67/41/69/357674169.db2.gz XHSXLDVQWHSKDZ-VIFPVBQESA-N 0 3 238.278 0.628 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)CC(=O)N(C)C ZINC000189397222 357636085 /nfs/dbraw/zinc/63/60/85/357636085.db2.gz AZMXWNAEHDPDEM-VHSXEESVSA-N 0 3 243.351 0.310 20 0 BCADHN COCCCCN1CCN(C[C@@H](C)O)CC1 ZINC000189385543 357636497 /nfs/dbraw/zinc/63/64/97/357636497.db2.gz SHYOFTVYBLJEMU-GFCCVEGCSA-N 0 3 230.352 0.411 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H](C(=O)OC)[C@H](C)CC ZINC000232014381 357638464 /nfs/dbraw/zinc/63/84/64/357638464.db2.gz CEQRUEZLHXEWLG-KXUCPTDWSA-N 0 3 244.335 0.818 20 0 BCADHN O=C1CCN(C[C@@H](O)CC2CCCC2)CCN1 ZINC000190513670 357713749 /nfs/dbraw/zinc/71/37/49/357713749.db2.gz LVGFVTVIBZTLGI-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCCN(C(N)=O)CC2)O1 ZINC000190502565 357713836 /nfs/dbraw/zinc/71/38/36/357713836.db2.gz JHZHIORSFNIJSU-GHMZBOCLSA-N 0 3 241.335 0.640 20 0 BCADHN CCCN(C)CC(=O)NC(=O)NCC ZINC000063761920 357716734 /nfs/dbraw/zinc/71/67/34/357716734.db2.gz DHCMLQFUPUAOQF-UHFFFAOYSA-N 0 3 201.270 0.174 20 0 BCADHN CCCN(C)CC(=O)N1CCO[C@@H](C)C1 ZINC000063761640 357717283 /nfs/dbraw/zinc/71/72/83/357717283.db2.gz HGQWFHGCZOPPJF-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CCN(C)C(=O)CN[C@H]1C[C@@H](OC)C1(C)C ZINC000233448523 357723082 /nfs/dbraw/zinc/72/30/82/357723082.db2.gz JIFBDLFPBLRVJE-VHSXEESVSA-N 0 3 228.336 0.868 20 0 BCADHN CCN(C)CCNC(=O)c1cccc(=O)[nH]1 ZINC000233430417 357724009 /nfs/dbraw/zinc/72/40/09/357724009.db2.gz KDOTXYMSTDWFHA-UHFFFAOYSA-N 0 3 223.276 0.056 20 0 BCADHN CCN1CCCN(CCCCCO)CC1=O ZINC000190229753 357696608 /nfs/dbraw/zinc/69/66/08/357696608.db2.gz QKELONOIFFGZQS-UHFFFAOYSA-N 0 3 228.336 0.703 20 0 BCADHN CCS(=O)(=O)CCCCCN(C)CCO ZINC000190358903 357703315 /nfs/dbraw/zinc/70/33/15/357703315.db2.gz GCBCEIATYVWTBW-UHFFFAOYSA-N 0 3 237.365 0.516 20 0 BCADHN CCCCC(=O)N1CCN(CCN(C)C)CC1 ZINC000055197060 363587305 /nfs/dbraw/zinc/58/73/05/363587305.db2.gz GWFNYLQURZTVHW-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN Cc1ccc([O-])c(CN(C)[C@@H]2CC[NH2+]C2)n1 ZINC000085973168 357707051 /nfs/dbraw/zinc/70/70/51/357707051.db2.gz KDHZXXQGMJWPRK-SNVBAGLBSA-N 0 3 221.304 0.889 20 0 BCADHN CCCCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190903812 357732622 /nfs/dbraw/zinc/73/26/22/357732622.db2.gz FPVIYZIIWZCALB-UTUOFQBUSA-N 0 3 242.363 0.851 20 0 BCADHN CN1CCC[C@H]1CNC(=O)c1ccc(N)nc1 ZINC000224044953 357737133 /nfs/dbraw/zinc/73/71/33/357737133.db2.gz ZTMJNAOFQQQHAW-JTQLQIEISA-N 0 3 234.303 0.488 20 0 BCADHN CN1CCCN([C@H]2CCCC[C@@H]2O)CC1=O ZINC000191118028 357751953 /nfs/dbraw/zinc/75/19/53/357751953.db2.gz PEQNBLQFAWAYBF-QWRGUYRKSA-N 0 3 226.320 0.454 20 0 BCADHN CCS[C@@H]1CCC[C@H]1NCC(=O)NC(N)=O ZINC000233838494 357756317 /nfs/dbraw/zinc/75/63/17/357756317.db2.gz NQDRHNNTPOBVIA-HTQZYQBOSA-N 0 3 245.348 0.445 20 0 BCADHN C[C@H]1CN(CCN2CCC(O)CC2)CCO1 ZINC000191417029 357770223 /nfs/dbraw/zinc/77/02/23/357770223.db2.gz HDMOXEHQKAZSSZ-NSHDSACASA-N 0 3 228.336 0.164 20 0 BCADHN C[C@@H]1COCCN1CCN(CCO)C1CC1 ZINC000191439016 357771421 /nfs/dbraw/zinc/77/14/21/357771421.db2.gz FHDCQLPAXVOSGY-LLVKDONJSA-N 0 3 228.336 0.164 20 0 BCADHN COC(=O)[C@H]1CCN(CCOCCO)C[C@H]1C ZINC000191786450 357796228 /nfs/dbraw/zinc/79/62/28/357796228.db2.gz GHLCWIQMRGHABB-MNOVXSKESA-N 0 3 245.319 0.126 20 0 BCADHN COCCCNC(=O)CN[C@@]1(C)CCO[C@H]1C ZINC000234633203 357820726 /nfs/dbraw/zinc/82/07/26/357820726.db2.gz GOJVSYXPBKGERN-JQWIXIFHSA-N 0 3 244.335 0.296 20 0 BCADHN COCCCNC(=O)CN[C@@]1(C)CCO[C@@H]1C ZINC000234633161 357820995 /nfs/dbraw/zinc/82/09/95/357820995.db2.gz GOJVSYXPBKGERN-PWSUYJOCSA-N 0 3 244.335 0.296 20 0 BCADHN C[C@@H](O)CCN(C)CCN1CCO[C@H](C)C1 ZINC000191512264 357783418 /nfs/dbraw/zinc/78/34/18/357783418.db2.gz KESBCUSRUHFRNG-VXGBXAGGSA-N 0 3 230.352 0.410 20 0 BCADHN COCCNCC(=O)NCc1cnc(C)s1 ZINC000086158127 357862047 /nfs/dbraw/zinc/86/20/47/357862047.db2.gz RQDUKWQSDGQSRW-UHFFFAOYSA-N 0 3 243.332 0.304 20 0 BCADHN COCCNCCNC(=O)NC[C@@H](C)C1CC1 ZINC000669412731 491115513 /nfs/dbraw/zinc/11/55/13/491115513.db2.gz YZNNMWGRGFZVRY-SNVBAGLBSA-N 0 3 243.351 0.568 20 0 BCADHN Cc1noc(C2CCN(C[C@@H](C)O)CC2)n1 ZINC000192972354 357862393 /nfs/dbraw/zinc/86/23/93/357862393.db2.gz DJCYUJPOVVJUPC-MRVPVSSYSA-N 0 3 225.292 0.938 20 0 BCADHN CO[C@]1(CN[C@H](C)c2ccnn2C)CCOC1 ZINC000234834839 357833465 /nfs/dbraw/zinc/83/34/65/357833465.db2.gz YQZQFGXTCWEGLP-PWSUYJOCSA-N 0 3 239.319 0.876 20 0 BCADHN O=C1NC(=O)[C@@]2(CCCN(C3CCCC3)C2)N1 ZINC000192634351 357841582 /nfs/dbraw/zinc/84/15/82/357841582.db2.gz DUOJYXLXOOLNNZ-LBPRGKRZSA-N 0 3 237.303 0.603 20 0 BCADHN CC(C)CC[N@@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192660146 357842987 /nfs/dbraw/zinc/84/29/87/357842987.db2.gz VYYWYLRQCMSQGX-GFCCVEGCSA-N 0 3 239.319 0.707 20 0 BCADHN CC(C)CC[N@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192660146 357842989 /nfs/dbraw/zinc/84/29/89/357842989.db2.gz VYYWYLRQCMSQGX-GFCCVEGCSA-N 0 3 239.319 0.707 20 0 BCADHN CCCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192680972 357848004 /nfs/dbraw/zinc/84/80/04/357848004.db2.gz QAFAJTVAJSFIKM-SNVBAGLBSA-N 0 3 211.265 0.070 20 0 BCADHN C[C@@H]1CN(C)CCN1Cc1ccnc(N)c1 ZINC000235491544 357871450 /nfs/dbraw/zinc/87/14/50/357871450.db2.gz HHGXZQHPLPKGOL-SNVBAGLBSA-N 0 3 220.320 0.800 20 0 BCADHN CN(C[C@H](O)C(F)(F)F)C[C@H]1CCCN1C ZINC000086189583 357872491 /nfs/dbraw/zinc/87/24/91/357872491.db2.gz POFAIZREDLXRRI-BDAKNGLRSA-N 0 3 240.269 0.936 20 0 BCADHN COC[C@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000399059314 357895217 /nfs/dbraw/zinc/89/52/17/357895217.db2.gz YLHISMIXWVPCLF-JQWIXIFHSA-N 0 3 240.347 0.999 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N(C)CC(C)(C)O ZINC000086274417 357879300 /nfs/dbraw/zinc/87/93/00/357879300.db2.gz SGUXLFGUVGGAPQ-UWVGGRQHSA-N 0 3 230.352 0.992 20 0 BCADHN Cc1cc(CNC(=O)[C@H](N)C2CCC2)no1 ZINC000399045099 357895265 /nfs/dbraw/zinc/89/52/65/357895265.db2.gz SBNMRIGQIOPYLG-SNVBAGLBSA-N 0 3 223.276 0.727 20 0 BCADHN CC[C@@H](O)CCCNC(=O)CNC1CC1 ZINC000398544294 357887534 /nfs/dbraw/zinc/88/75/34/357887534.db2.gz HAROIBPUBAHUIR-SNVBAGLBSA-N 0 3 214.309 0.406 20 0 BCADHN C[C@H](O)C[C@H](C)CNC[C@@H](O)C(F)(F)F ZINC000398680481 357889465 /nfs/dbraw/zinc/88/94/65/357889465.db2.gz MUTIWMKBGWDKLI-BIIVOSGPSA-N 0 3 229.242 0.906 20 0 BCADHN C[C@@H](C[S@](C)=O)N(C)C(=O)CNCC1CC1 ZINC000398896928 357890630 /nfs/dbraw/zinc/89/06/30/357890630.db2.gz JVUXQTVRKLZTQQ-FVMDXXJSSA-N 0 3 246.376 0.211 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@H](N)C1CCC1 ZINC000399138444 357896397 /nfs/dbraw/zinc/89/63/97/357896397.db2.gz SRWNOENQKXSKAE-MWLCHTKSSA-N 0 3 228.336 0.639 20 0 BCADHN NC(=O)c1ccc(NC(=O)[C@@H](N)C2CCC2)cc1 ZINC000399226605 357898533 /nfs/dbraw/zinc/89/85/33/357898533.db2.gz NHAZRVLMNDVMNI-NSHDSACASA-N 0 3 247.298 0.851 20 0 BCADHN Cc1c(CNC(=O)[C@@H](N)C2CCC2)cnn1C ZINC000399235206 357899274 /nfs/dbraw/zinc/89/92/74/357899274.db2.gz HJNVBLVEVDXSDD-NSHDSACASA-N 0 3 236.319 0.472 20 0 BCADHN CNC(=O)CCSC[C@H](O)CN(C)C1CC1 ZINC000399338817 357903205 /nfs/dbraw/zinc/90/32/05/357903205.db2.gz GFMFXYXEPBUGOG-SNVBAGLBSA-N 0 3 246.376 0.311 20 0 BCADHN O=C1C[C@H](N2CC[C@@H](C3CCCC3)C2)C(=O)N1 ZINC000584418375 357915764 /nfs/dbraw/zinc/91/57/64/357915764.db2.gz VZBGKALTZNZPLO-MNOVXSKESA-N 0 3 236.315 0.914 20 0 BCADHN C[C@@H]1C[C@@H](C)CN([C@H]2CC(=O)NC2=O)C1 ZINC000584418249 357915914 /nfs/dbraw/zinc/91/59/14/357915914.db2.gz HYLVQJASECXAAW-HLTSFMKQSA-N 0 3 210.277 0.379 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000034689330 357920881 /nfs/dbraw/zinc/92/08/81/357920881.db2.gz ZTHGUAKPECKDKM-UTLUCORTSA-N 0 3 241.335 0.084 20 0 BCADHN CC(C)NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000102803536 357922297 /nfs/dbraw/zinc/92/22/97/357922297.db2.gz QLYZFGYVFJTJLW-UHFFFAOYSA-N 0 3 239.323 0.975 20 0 BCADHN CN(C)C1(CNC(=O)[C@H]2CCC(=O)C2)CCC1 ZINC000583754602 357935122 /nfs/dbraw/zinc/93/51/22/357935122.db2.gz OEGAOXVXUGRQQC-JTQLQIEISA-N 0 3 238.331 0.956 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C)NC[C@H]2C)CO1 ZINC000583810945 357955403 /nfs/dbraw/zinc/95/54/03/357955403.db2.gz SLWGOODXHWLOLD-DBIOUOCHSA-N 0 3 241.335 0.556 20 0 BCADHN CC[C@H](C)C[C@H](NC(=O)[C@H](C)NC)C(=O)OC ZINC000583822235 357958093 /nfs/dbraw/zinc/95/80/93/357958093.db2.gz GGBGSGRICAZOCJ-GUBZILKMSA-N 0 3 244.335 0.688 20 0 BCADHN CSC1(CN(C)CCNC(C)=O)CC1 ZINC000583813420 357959820 /nfs/dbraw/zinc/95/98/20/357959820.db2.gz QUYHTGGQLOSOEC-UHFFFAOYSA-N 0 3 216.350 0.950 20 0 BCADHN CC[C@@H](O)CCNC(=O)C1(N)CCC1 ZINC000218843766 357968096 /nfs/dbraw/zinc/96/80/96/357968096.db2.gz YFYKZBUHAVGALK-MRVPVSSYSA-N 0 3 200.282 0.145 20 0 BCADHN NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000022590279 357972903 /nfs/dbraw/zinc/97/29/03/357972903.db2.gz ZYYGJMCGJDUMOT-UHFFFAOYSA-N 0 3 225.336 0.422 20 0 BCADHN COC[C@@](C)(CO)NCCOCC1CCC1 ZINC000639958325 357983145 /nfs/dbraw/zinc/98/31/45/357983145.db2.gz SBUICMNGQKGLMM-GFCCVEGCSA-N 0 3 231.336 0.790 20 0 BCADHN COC[C@@](C)(CO)NC[C@@H](O)CCC(C)C ZINC000639958465 357983702 /nfs/dbraw/zinc/98/37/02/357983702.db2.gz SSYMNPPTOUEBHZ-NWDGAFQWSA-N 0 3 233.352 0.771 20 0 BCADHN Cc1nc(C)c(CNC[C@H]2COCCN2C)o1 ZINC000628453138 358009897 /nfs/dbraw/zinc/00/98/97/358009897.db2.gz LIIQOCZNKCUXPM-NSHDSACASA-N 0 3 239.319 0.712 20 0 BCADHN C[C@H]1CSC[C@H]1N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000628453558 358010187 /nfs/dbraw/zinc/01/01/87/358010187.db2.gz JJMUVSCHRYHNQM-SGIHWFKDSA-N 0 3 249.401 0.903 20 0 BCADHN COCC[C@H](C)NC(=O)NCCN(C)C ZINC000133573313 325301421 /nfs/dbraw/zinc/30/14/21/325301421.db2.gz LZVYWPSINLRTCX-VIFPVBQESA-N 0 3 217.313 0.272 20 0 BCADHN C[C@@H](C[C@H]1CCCO1)NC(=O)NCCN(C)C ZINC000133587541 325301904 /nfs/dbraw/zinc/30/19/04/325301904.db2.gz UOFNNCQVVPBZCC-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@H](CNC(=O)N1CCOCC1)N1CCCC1 ZINC000036077138 358014822 /nfs/dbraw/zinc/01/48/22/358014822.db2.gz XBYPFLCLKNCSAI-NSHDSACASA-N 0 3 241.335 0.513 20 0 BCADHN CO[C@H]1CN(Cc2cn[nH]c2)[C@@](C)(CO)C1 ZINC000639998128 358035951 /nfs/dbraw/zinc/03/59/51/358035951.db2.gz CUJHMFOGUSNPTB-GHMZBOCLSA-N 0 3 225.292 0.381 20 0 BCADHN Cc1n[nH]cc1CN(C)CC[C@@H]1CCNC1=O ZINC000639970659 358022618 /nfs/dbraw/zinc/02/26/18/358022618.db2.gz HZQXQGFXXXFVPM-JTQLQIEISA-N 0 3 236.319 0.676 20 0 BCADHN Cc1[nH]ncc1CN(C)C[C@@H](C)S(C)(=O)=O ZINC000639970688 358024466 /nfs/dbraw/zinc/02/44/66/358024466.db2.gz IUOUMPRLOIDLPM-MRVPVSSYSA-N 0 3 245.348 0.583 20 0 BCADHN Cc1nnc(N2CCN(C[C@H]3C[C@@H]3C)CC2)n1C ZINC000639975544 358032269 /nfs/dbraw/zinc/03/22/69/358032269.db2.gz FYMHUNLQLBLVOP-CMPLNLGQSA-N 0 3 249.362 0.902 20 0 BCADHN CO[C@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000168828939 134247242 /nfs/dbraw/zinc/24/72/42/134247242.db2.gz ZCGQXEGYVBMMNK-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN Cc1nn(C)c(C)c1CNCCC(N)=O ZINC000036746880 358046435 /nfs/dbraw/zinc/04/64/35/358046435.db2.gz JOEZMLHOMNVTOI-UHFFFAOYSA-N 0 3 210.281 0.002 20 0 BCADHN C[C@]1(CO)CCCN1CC(=O)N1CCCC1 ZINC000546811809 325312732 /nfs/dbraw/zinc/31/27/32/325312732.db2.gz KVBFISXHBFBGKZ-GFCCVEGCSA-N 0 3 226.320 0.456 20 0 BCADHN CC(C)NCC(=O)NCC(=O)NC(C)(C)C ZINC000037477138 358071408 /nfs/dbraw/zinc/07/14/08/358071408.db2.gz CNADVCGFNXIHCU-UHFFFAOYSA-N 0 3 229.324 0.015 20 0 BCADHN COCc1ccccc1CNCCC(N)=O ZINC000037500041 358073746 /nfs/dbraw/zinc/07/37/46/358073746.db2.gz AGYZTCXXPCMMEH-UHFFFAOYSA-N 0 3 222.288 0.798 20 0 BCADHN CCNC(=O)NC(=O)CN(C)C(C)(C)C ZINC000583869893 358062019 /nfs/dbraw/zinc/06/20/19/358062019.db2.gz MQWOAZXPVTYCNZ-UHFFFAOYSA-N 0 3 215.297 0.562 20 0 BCADHN C[C@@H](NC(=O)NCCN(C)C)[C@H]1CCOC1 ZINC000133757894 325316022 /nfs/dbraw/zinc/31/60/22/325316022.db2.gz BGYXABUUUIOQPC-ZJUUUORDSA-N 0 3 229.324 0.272 20 0 BCADHN CO[C@H]1CN(Cc2cnn(C)c2)[C@](C)(CO)C1 ZINC000640008788 358075005 /nfs/dbraw/zinc/07/50/05/358075005.db2.gz JWLYMQDRYPGBHP-NEPJUHHUSA-N 0 3 239.319 0.392 20 0 BCADHN COc1ccnc(NC(=O)C2(N)CCC2)c1 ZINC000583870421 358076463 /nfs/dbraw/zinc/07/64/63/358076463.db2.gz QXWIOAUJRKQVQI-UHFFFAOYSA-N 0 3 221.260 0.910 20 0 BCADHN CN(C)C(=O)CN1CCC[C@@H](CCO)C1 ZINC000051896443 358092687 /nfs/dbraw/zinc/09/26/87/358092687.db2.gz GRNSVRJWAQBULL-JTQLQIEISA-N 0 3 214.309 0.169 20 0 BCADHN COC(=O)C[C@H](C)C(=O)N[C@H]1CCCN(C)C1 ZINC000610716622 358107353 /nfs/dbraw/zinc/10/73/53/358107353.db2.gz GKSCDMABOPZOCM-UWVGGRQHSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@H]1CN(CCn2cccn2)CCCO1 ZINC000170764385 134253696 /nfs/dbraw/zinc/25/36/96/134253696.db2.gz KEJVSGPEPYCTIR-NSHDSACASA-N 0 3 209.293 0.994 20 0 BCADHN CCN(Cc1ccncc1)C(=O)CNC ZINC000037822713 358094981 /nfs/dbraw/zinc/09/49/81/358094981.db2.gz SMUIWBDAYPAHJD-UHFFFAOYSA-N 0 3 207.277 0.650 20 0 BCADHN Cc1ncc(CNCC2(O)CCC2)n1C ZINC000583883105 358119197 /nfs/dbraw/zinc/11/91/97/358119197.db2.gz GBQGTVHDKVRYBO-UHFFFAOYSA-N 0 3 209.293 0.733 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@](O)(CC)C1 ZINC000640034214 358126948 /nfs/dbraw/zinc/12/69/48/358126948.db2.gz ZWZMTXNILSISLY-ONGXEEELSA-N 0 3 214.309 0.487 20 0 BCADHN COCCN1C[C@@H]2C[C@H]1CN2CCOC ZINC000640049522 358134782 /nfs/dbraw/zinc/13/47/82/358134782.db2.gz VFXVLOBLJMFUKT-QWRGUYRKSA-N 0 3 214.309 0.038 20 0 BCADHN CC[C@]1(O)CCCN([C@H]2CCCN(C)C2=O)C1 ZINC000640034683 358127207 /nfs/dbraw/zinc/12/72/07/358127207.db2.gz ATLSWXZDUHWPOQ-AAEUAGOBSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](O)CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044160 358129590 /nfs/dbraw/zinc/12/95/90/358129590.db2.gz OKPJWMGCBPPAJW-BIIVOSGPSA-N 0 3 227.226 0.470 20 0 BCADHN COC(=O)[C@H]1C[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000171180141 134255730 /nfs/dbraw/zinc/25/57/30/134255730.db2.gz TXPKYPKJVSJCCN-UWVGGRQHSA-N 0 3 240.303 0.006 20 0 BCADHN CCOC(=O)C[C@@H](C)CNC(=O)[C@@H](N)CC ZINC000578201739 366385606 /nfs/dbraw/zinc/38/56/06/366385606.db2.gz PAVWWVVVNIHXJO-BDAKNGLRSA-N 0 3 230.308 0.429 20 0 BCADHN COc1ccc(C)cc1CNC[C@@H](O)CO ZINC000085246939 134256335 /nfs/dbraw/zinc/25/63/35/134256335.db2.gz LAMGIGCGKMZBFT-LLVKDONJSA-N 0 3 225.288 0.446 20 0 BCADHN C[C@@H]1C[C@@H]1CN(C)CC(=O)N1CCN(C)CC1 ZINC000640065697 358153583 /nfs/dbraw/zinc/15/35/83/358153583.db2.gz ZSRIVVNBRVZYDB-VXGBXAGGSA-N 0 3 239.363 0.348 20 0 BCADHN CCN1CC[C@@H](N2CCC[C@@](O)(CC)C2)C1=O ZINC000640036867 358136938 /nfs/dbraw/zinc/13/69/38/358136938.db2.gz YIMUBOLZVHVNKK-YPMHNXCESA-N 0 3 240.347 0.844 20 0 BCADHN CO[C@]1(CNCc2cc(C)nn2C)CCOC1 ZINC000160331984 358137352 /nfs/dbraw/zinc/13/73/52/358137352.db2.gz CPZDLUHQSZIFCX-LBPRGKRZSA-N 0 3 239.319 0.624 20 0 BCADHN CC[C@]1(O)CCCN(CCN2CCNC2=O)C1 ZINC000640036618 358137387 /nfs/dbraw/zinc/13/73/87/358137387.db2.gz VDADAGMDHBZZHC-LBPRGKRZSA-N 0 3 241.335 0.249 20 0 BCADHN CN(C[C@H]1CCC[C@H]1O)C(=O)CNC1CC1 ZINC000584780220 358176158 /nfs/dbraw/zinc/17/61/58/358176158.db2.gz DRQVSGMAXNWHAT-MWLCHTKSSA-N 0 3 226.320 0.358 20 0 BCADHN NC(C(=O)NCc1ccno1)C(F)(F)F ZINC000584779209 358176457 /nfs/dbraw/zinc/17/64/57/358176457.db2.gz VQTXOSBONHQOEA-YFKPBYRVSA-N 0 3 223.154 0.180 20 0 BCADHN CCNC(=O)CN1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640093050 358185184 /nfs/dbraw/zinc/18/51/84/358185184.db2.gz YZXBBARCGPNUBA-SRVKXCTJSA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@H](O)CNCC1(S(C)(=O)=O)CCCC1 ZINC000584835282 358197449 /nfs/dbraw/zinc/19/74/49/358197449.db2.gz SGUWULOWVDHZKX-JTQLQIEISA-N 0 3 249.376 0.704 20 0 BCADHN C[C@H](c1cnccn1)N1CC[C@H]2OCCN[C@H]2C1 ZINC000584843900 358200504 /nfs/dbraw/zinc/20/05/04/358200504.db2.gz RLBNOLMRZXMECW-KGYLQXTDSA-N 0 3 248.330 0.600 20 0 BCADHN CCCN(C)CC(=O)NCC(=O)OC(C)(C)C ZINC000172092877 134261665 /nfs/dbraw/zinc/26/16/65/134261665.db2.gz QRFWLWJWTIWIDF-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN CN(CCOC(C)(C)C)CCC(=O)NC(N)=O ZINC000610859603 358214486 /nfs/dbraw/zinc/21/44/86/358214486.db2.gz AVIRAPOOWAPVPF-UHFFFAOYSA-N 0 3 245.323 0.318 20 0 BCADHN CNC(=O)[C@H](NCC1(C(=O)OC)CC1)C(C)C ZINC000450673128 202232505 /nfs/dbraw/zinc/23/25/05/202232505.db2.gz NXSUQLADGYZHBV-SECBINFHSA-N 0 3 242.319 0.300 20 0 BCADHN COC(=O)c1ccc(N2CCN[C@H](C)C2)nn1 ZINC000052783514 358227979 /nfs/dbraw/zinc/22/79/79/358227979.db2.gz GOAKUNACZYZGOC-MRVPVSSYSA-N 0 3 236.275 0.061 20 0 BCADHN C[C@H](N)C(=O)NCC[C@@H]1CCCCO1 ZINC000224048133 358230804 /nfs/dbraw/zinc/23/08/04/358230804.db2.gz BVYJNMJRCANOCR-IUCAKERBSA-N 0 3 200.282 0.409 20 0 BCADHN CN[C@@H](C)C(=O)NCC[C@@H]1CCCCO1 ZINC000224053377 358231418 /nfs/dbraw/zinc/23/14/18/358231418.db2.gz BKAYUWBOALSBDQ-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN CC(C)[C@H]1CN(C[C@@H]2COCCO2)CCN1C ZINC000640140931 358232695 /nfs/dbraw/zinc/23/26/95/358232695.db2.gz PXBGDOVHXWNQCQ-CHWSQXEVSA-N 0 3 242.363 0.674 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cccnc1-n1cncn1 ZINC000040500102 358237062 /nfs/dbraw/zinc/23/70/62/358237062.db2.gz UFAWWQZSJMLUFX-MRVPVSSYSA-N 0 3 246.274 0.338 20 0 BCADHN CC(C)NCC(=O)NCc1cccc(C(N)=O)c1 ZINC000040832075 358246861 /nfs/dbraw/zinc/24/68/61/358246861.db2.gz XMGBIOAKXUXYNT-UHFFFAOYSA-N 0 3 249.314 0.400 20 0 BCADHN CCNS(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000172454210 134266171 /nfs/dbraw/zinc/26/61/71/134266171.db2.gz HJHQEHVYSGDTOD-JTQLQIEISA-N 0 3 247.364 0.011 20 0 BCADHN C[C@@H]1CCO[C@@H]1C(=O)N(CCN(C)C)C1CC1 ZINC000450718000 202244699 /nfs/dbraw/zinc/24/46/99/202244699.db2.gz RRRCCTBEWNZSPQ-PWSUYJOCSA-N 0 3 240.347 0.964 20 0 BCADHN OCCOCCN1CCCN(C2CC2)CC1 ZINC000172625574 134266789 /nfs/dbraw/zinc/26/67/89/134266789.db2.gz YOZGPABUUGEFBY-UHFFFAOYSA-N 0 3 228.336 0.165 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCC1(OC)CCC1 ZINC000134714878 325372811 /nfs/dbraw/zinc/37/28/11/325372811.db2.gz PDMKZDBRWAFXOV-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN COc1nccc(CN(C)CC2CN(C)C2)n1 ZINC000668539340 491127393 /nfs/dbraw/zinc/12/73/93/491127393.db2.gz SSOLEUMSCRGAMQ-UHFFFAOYSA-N 0 3 236.319 0.479 20 0 BCADHN COc1ncc(CN[C@@H](C)[C@H](C)CO)c(C)n1 ZINC000450739133 202251974 /nfs/dbraw/zinc/25/19/74/202251974.db2.gz PQPIVOUEUGZWNW-BDAKNGLRSA-N 0 3 239.319 0.900 20 0 BCADHN Cc1cncc(N2C[C@H]3CCN(C)[C@H]3C2)n1 ZINC000450775970 202261219 /nfs/dbraw/zinc/26/12/19/202261219.db2.gz GXXRMXACIBSGRA-MNOVXSKESA-N 0 3 218.304 0.925 20 0 BCADHN C[C@H](O)CCN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000450774663 202262220 /nfs/dbraw/zinc/26/22/20/202262220.db2.gz DHPWFTVDDDIIHJ-KXUCPTDWSA-N 0 3 214.309 0.343 20 0 BCADHN Cc1ncc(CNC[C@@]2(O)CCO[C@H]2C)n1C ZINC000578207177 366392573 /nfs/dbraw/zinc/39/25/73/366392573.db2.gz NCSHQKSEEOLAJW-CABZTGNLSA-N 0 3 239.319 0.358 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc2c[nH]nc2c1 ZINC000227357989 358354038 /nfs/dbraw/zinc/35/40/38/358354038.db2.gz OEKKRIVPRKPAQS-SNVBAGLBSA-N 0 3 234.259 0.475 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)c1nc[nH]n1 ZINC000226409272 358339163 /nfs/dbraw/zinc/33/91/63/358339163.db2.gz GIDDMUNUPOIADE-RNFRBKRXSA-N 0 3 225.296 0.355 20 0 BCADHN COc1ccc(NC(=O)[C@H](CN)OC)cc1O ZINC000227358002 358354292 /nfs/dbraw/zinc/35/42/92/358354292.db2.gz BBXIWZYFERLBTG-JTQLQIEISA-N 0 3 240.259 0.313 20 0 BCADHN COC[C@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000229086409 358344963 /nfs/dbraw/zinc/34/49/63/358344963.db2.gz RTYPLPUQBAQPRJ-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1CCSC1 ZINC000229086811 358345094 /nfs/dbraw/zinc/34/50/94/358345094.db2.gz NBRMGUCZQSXDLP-MRVPVSSYSA-N 0 3 200.307 0.360 20 0 BCADHN CCN(C[C@H]1CCCO1)C(=O)CNC1CC1 ZINC000042470797 358349631 /nfs/dbraw/zinc/34/96/31/358349631.db2.gz WXFQUAPNQNTGBH-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)N1CCCNCC1 ZINC000252681211 366419346 /nfs/dbraw/zinc/41/93/46/366419346.db2.gz GVXWDDBMOJVFOD-YFKTTZPYSA-N 0 3 240.347 0.868 20 0 BCADHN Cn1ccc(CCNC[C@@H](O)C(F)(F)F)n1 ZINC000227226659 358352392 /nfs/dbraw/zinc/35/23/92/358352392.db2.gz IFHQGTCGEJAHOI-MRVPVSSYSA-N 0 3 237.225 0.475 20 0 BCADHN CSC[C@@H](O)CN(C)CCN1CCCC1=O ZINC000547643560 325377967 /nfs/dbraw/zinc/37/79/67/325377967.db2.gz SLOSKEFKWVHGHW-JTQLQIEISA-N 0 3 246.376 0.265 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000227331866 358353962 /nfs/dbraw/zinc/35/39/62/358353962.db2.gz HIDOQJRWYPOIQY-GXTWGEPZSA-N 0 3 246.310 0.513 20 0 BCADHN COCC[C@@H](C)N1CCN(CCO)[C@H](C)C1 ZINC000426469494 491131551 /nfs/dbraw/zinc/13/15/51/491131551.db2.gz QCWLWQGGVRZPEU-VXGBXAGGSA-N 0 3 230.352 0.410 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2cnc(N)cn2)C1 ZINC000228576762 358380207 /nfs/dbraw/zinc/38/02/07/358380207.db2.gz JLEOJDXOZXYSGC-VIFPVBQESA-N 0 3 249.318 0.225 20 0 BCADHN Cc1ncsc1C(=O)NC[C@H]1CNCCO1 ZINC000227785734 358363837 /nfs/dbraw/zinc/36/38/37/358363837.db2.gz TUXAKNWWJRIDLX-MRVPVSSYSA-N 0 3 241.316 0.170 20 0 BCADHN CC(C)(N)C(=O)NCC(F)(F)C(F)F ZINC000230691608 358409567 /nfs/dbraw/zinc/40/95/67/358409567.db2.gz WTYLQKNZAOYQDG-UHFFFAOYSA-N 0 3 216.178 0.740 20 0 BCADHN C[C@H](N)C(=O)NCC(F)(F)C(F)F ZINC000230693981 358410010 /nfs/dbraw/zinc/41/00/10/358410010.db2.gz HPIZMKOATHWOSE-VKHMYHEASA-N 0 3 202.151 0.350 20 0 BCADHN C[C@@H](NC[C@@H](O)C(F)(F)F)[C@H](C)CO ZINC000228730269 358384953 /nfs/dbraw/zinc/38/49/53/358384953.db2.gz KPUUWQFQSAYJLW-FSDSQADBSA-N 0 3 215.215 0.516 20 0 BCADHN CC[C@H](O)CNCc1cnc(N(C)C)n1C ZINC000229963005 358387832 /nfs/dbraw/zinc/38/78/32/358387832.db2.gz QUDCZUCNPPJSGK-JTQLQIEISA-N 0 3 226.324 0.347 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@@H](C)N)CC[C@H]1C ZINC000230242363 358396078 /nfs/dbraw/zinc/39/60/78/358396078.db2.gz WLICRZLGDIZXSU-IWSPIJDZSA-N 0 3 200.282 0.217 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000230245264 358396588 /nfs/dbraw/zinc/39/65/88/358396588.db2.gz ZIAJZNGBOFSPMB-OPRDCNLKSA-N 0 3 214.309 0.607 20 0 BCADHN CCN(CC)[C@@H]1CCN(S(=O)(=O)C2CC2)C1 ZINC000173995975 134279978 /nfs/dbraw/zinc/27/99/78/134279978.db2.gz BDBGORLWPYOLNG-SNVBAGLBSA-N 0 3 246.376 0.895 20 0 BCADHN COc1nc(C)nc(N2CCNCC2)c1C ZINC000211416499 358446760 /nfs/dbraw/zinc/44/67/60/358446760.db2.gz QBLVHYWOPWDGAA-UHFFFAOYSA-N 0 3 222.292 0.512 20 0 BCADHN Cc1cnn(CC(=O)N2CCCNCC2)c1 ZINC000042354914 358522707 /nfs/dbraw/zinc/52/27/07/358522707.db2.gz GZOJLBXGRXLHGK-UHFFFAOYSA-N 0 3 222.292 0.013 20 0 BCADHN CCc1cnc(CNC(=O)[C@H](C)NC)o1 ZINC000231646936 358418868 /nfs/dbraw/zinc/41/88/68/358418868.db2.gz WIRQAKFIPQRCHB-ZETCQYMHSA-N 0 3 211.265 0.461 20 0 BCADHN CCc1cnc(CNC(=O)C2(N)CC2)o1 ZINC000231646682 358419018 /nfs/dbraw/zinc/41/90/18/358419018.db2.gz QSZWENWOCRCBBW-UHFFFAOYSA-N 0 3 209.249 0.345 20 0 BCADHN CN(C)C1(CN(C)S(C)(=O)=O)CCC1 ZINC000165273805 358433764 /nfs/dbraw/zinc/43/37/64/358433764.db2.gz YILWFLQDLFGENC-UHFFFAOYSA-N 0 3 220.338 0.362 20 0 BCADHN CCN1CCCN(Cc2noc(C)n2)CC1 ZINC000104955030 358437523 /nfs/dbraw/zinc/43/75/23/358437523.db2.gz BZOUCCXHLNFPGN-UHFFFAOYSA-N 0 3 224.308 0.906 20 0 BCADHN CN(C)CCNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC000074732718 358545193 /nfs/dbraw/zinc/54/51/93/358545193.db2.gz ZCOXVXUJSUWZBO-UHFFFAOYSA-N 0 3 248.286 0.148 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726724 358552854 /nfs/dbraw/zinc/55/28/54/358552854.db2.gz BCSCPJHJYOHSDC-CMPLNLGQSA-N 0 3 239.363 0.857 20 0 BCADHN Cn1ccnc1CN[C@@H]1CCN(C2CC2)C1 ZINC000044722741 358553139 /nfs/dbraw/zinc/55/31/39/358553139.db2.gz CYGBEHZPUICXGO-SNVBAGLBSA-N 0 3 220.320 0.746 20 0 BCADHN CCN1CCN([C@H](C)CNC(=O)C2CC2)CC1 ZINC000046947275 358583008 /nfs/dbraw/zinc/58/30/08/358583008.db2.gz STNBWDFTSXWYGF-LLVKDONJSA-N 0 3 239.363 0.539 20 0 BCADHN CCN1CCN([C@@H](C)CNC(=O)C(C)C)CC1 ZINC000046947138 358583224 /nfs/dbraw/zinc/58/32/24/358583224.db2.gz FMTKCHHEEYWJST-LBPRGKRZSA-N 0 3 241.379 0.785 20 0 BCADHN CCN1CCN(CCNC(=O)C2CC2)CC1 ZINC000042590270 358527313 /nfs/dbraw/zinc/52/73/13/358527313.db2.gz FYBMYGUOJDRTAA-UHFFFAOYSA-N 0 3 225.336 0.150 20 0 BCADHN CCN1CCN(CCNC(=O)C(C)(C)C)CC1 ZINC000042592162 358527604 /nfs/dbraw/zinc/52/76/04/358527604.db2.gz RVXGBDGGMDYHLV-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN Cc1ncc(CC(=O)N2CCN3CCC2CC3)o1 ZINC000640168876 358530362 /nfs/dbraw/zinc/53/03/62/358530362.db2.gz VHGDXMPIFHTBDH-UHFFFAOYSA-N 0 3 249.314 0.832 20 0 BCADHN O=C(Cc1ccccc1O)N1CCCNCC1 ZINC000129946476 358602214 /nfs/dbraw/zinc/60/22/14/358602214.db2.gz SCPBHDIDINHSLK-UHFFFAOYSA-N 0 3 234.299 0.757 20 0 BCADHN Cc1cc(N(C)C[C@@H](O)CN(C)C2CC2)n[nH]1 ZINC000640193099 358611897 /nfs/dbraw/zinc/61/18/97/358611897.db2.gz FFDIRQRRULYQIZ-NSHDSACASA-N 0 3 238.335 0.609 20 0 BCADHN Cc1noc(C)c1CN1CC[C@@H](C(N)=O)C1 ZINC000048037585 358612474 /nfs/dbraw/zinc/61/24/74/358612474.db2.gz YIFGXDYYSBSTGN-SECBINFHSA-N 0 3 223.276 0.599 20 0 BCADHN CCNC(=O)CCN1CCC(CC(N)=O)CC1 ZINC000048026952 358612668 /nfs/dbraw/zinc/61/26/68/358612668.db2.gz SEBXVXWKDBBQKQ-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN COCCNCCNC(=O)C[C@H](C)COC ZINC000212704609 358620495 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/nfs/dbraw/zinc/01/53/12/364015312.db2.gz KIBAPKCSDUPVPF-NXEZZACHSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)C2(CO)CC2)C1 ZINC000614771211 363965969 /nfs/dbraw/zinc/96/59/69/363965969.db2.gz LOEVSCXDBSNAFN-SNVBAGLBSA-N 0 3 226.320 0.312 20 0 BCADHN NCC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000237981167 181354044 /nfs/dbraw/zinc/35/40/44/181354044.db2.gz VCIPVCQXRJOWKL-ZYHUDNBSSA-N 0 3 220.272 0.592 20 0 BCADHN NCC(=O)NC[C@H]1CCOc2ccccc21 ZINC000083931716 181354132 /nfs/dbraw/zinc/35/41/32/181354132.db2.gz HYGPDDUCCOLOTP-SECBINFHSA-N 0 3 220.272 0.628 20 0 BCADHN Cc1ccoc1CC(=O)N[C@H](CO)CN(C)C ZINC000614858708 364015360 /nfs/dbraw/zinc/01/53/60/364015360.db2.gz JYRDJWNMLOXVOB-JTQLQIEISA-N 0 3 240.303 0.169 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000627263286 363982424 /nfs/dbraw/zinc/98/24/24/363982424.db2.gz BEDQPCDDYVCGMS-DDHJBXDOSA-N 0 3 238.331 0.310 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000614860217 364015377 /nfs/dbraw/zinc/01/53/77/364015377.db2.gz TYMCXDVVSVQVME-VPOLOUISSA-N 0 3 226.320 0.071 20 0 BCADHN Cc1ccncc1CC(=O)N[C@@H](C)CN(C)C ZINC000614839641 363988993 /nfs/dbraw/zinc/98/89/93/363988993.db2.gz RSBDEFIGYIDTSK-NSHDSACASA-N 0 3 235.331 0.999 20 0 BCADHN CCCn1nccc1C(=O)N[C@@H](C)CN(C)C ZINC000614838250 363989845 /nfs/dbraw/zinc/98/98/45/363989845.db2.gz FTALVJIIADJHOQ-JTQLQIEISA-N 0 3 238.335 0.973 20 0 BCADHN CO[C@@H](C(=O)N[C@@H](C)CN(C)C)[C@H]1CCOC1 ZINC000614838439 363989974 /nfs/dbraw/zinc/98/99/74/363989974.db2.gz IKIVUYSJIBTKMP-GARJFASQSA-N 0 3 244.335 0.104 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccnn1C(F)F ZINC000614838132 363990187 /nfs/dbraw/zinc/99/01/87/363990187.db2.gz CYLVKEWWGYPLHJ-ZETCQYMHSA-N 0 3 246.261 0.958 20 0 BCADHN C[C@@H]1CCC[C@]1(C)C(=O)N[C@H](CO)CN(C)C ZINC000614842121 363990571 /nfs/dbraw/zinc/99/05/71/363990571.db2.gz JNAZLPFEZSXTGN-MDZLAQPJSA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@H](C)C(=O)NC[C@H]1CCCN1CCCO ZINC000452349358 202578055 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/nfs/dbraw/zinc/18/73/27/364187327.db2.gz POZIUZRGLNVTRG-HXFLIBJXSA-N 0 3 240.269 0.838 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCC[C@H]1C ZINC000250668978 364238502 /nfs/dbraw/zinc/23/85/02/364238502.db2.gz KKQJMWSLJIQRIL-ZJUUUORDSA-N 0 3 215.293 0.785 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H](N)C2CCC2)[C@H](C)O1 ZINC000398950973 364277619 /nfs/dbraw/zinc/27/76/19/364277619.db2.gz DIIDESKMSIRIMR-IFFSRLJSSA-N 0 3 226.320 0.796 20 0 BCADHN CC[C@@H](NC(C)=O)C(=O)NC1CCN(C)CC1 ZINC000630563891 364262807 /nfs/dbraw/zinc/26/28/07/364262807.db2.gz RVPIEXKKPVSMSK-LLVKDONJSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@@H](C(=O)NCc1c[nH]c(=O)[nH]1)N(C)C ZINC000614998384 364319169 /nfs/dbraw/zinc/31/91/69/364319169.db2.gz HHPSVTUYEFITLK-QMMMGPOBSA-N 0 3 226.280 0.072 20 0 BCADHN CC[C@@](C)(N)c1cn(C[C@@H]2COCCO2)nn1 ZINC000630600919 364320494 /nfs/dbraw/zinc/32/04/94/364320494.db2.gz FCXUFZDIILJAGG-MWLCHTKSSA-N 0 3 240.307 0.277 20 0 BCADHN CC(C)[C@@H](C(=O)NCc1c[nH]c(=O)[nH]1)N(C)C ZINC000614998692 364324726 /nfs/dbraw/zinc/32/47/26/364324726.db2.gz KRQUCWKBXFESIE-VIFPVBQESA-N 0 3 240.307 0.318 20 0 BCADHN CN(C)CCc1cn(C[C@@H]2CCCCO2)nn1 ZINC000630610144 364341169 /nfs/dbraw/zinc/34/11/69/364341169.db2.gz YLOQLNLQVVQPSA-LBPRGKRZSA-N 0 3 238.335 0.951 20 0 BCADHN COC[C@H](N)Cc1cn(-c2ccc(O)cc2)nn1 ZINC000630586990 364294582 /nfs/dbraw/zinc/29/45/82/364294582.db2.gz UCUKGBMFTFGYBO-SECBINFHSA-N 0 3 248.286 0.489 20 0 BCADHN COC[C@H](N)Cc1cn(CC2CCCC2)nn1 ZINC000630589646 364298980 /nfs/dbraw/zinc/29/89/80/364298980.db2.gz JOBMFUAVRITKHZ-LLVKDONJSA-N 0 3 238.335 0.985 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCc2c[nH]c(=O)[nH]2)C1 ZINC000614996769 364309820 /nfs/dbraw/zinc/30/98/20/364309820.db2.gz NHPYEWBSIHESAI-MRVPVSSYSA-N 0 3 238.291 0.073 20 0 BCADHN CC(C)[C@H](N)c1cn(Cc2ccon2)nn1 ZINC000630598384 364314713 /nfs/dbraw/zinc/31/47/13/364314713.db2.gz PZLNVDCLHWSMSC-JTQLQIEISA-N 0 3 221.264 0.970 20 0 BCADHN CC(C)/C=C\c1cn(C[C@H]2CNCCO2)nn1 ZINC000630616804 364354469 /nfs/dbraw/zinc/35/44/69/364354469.db2.gz NLPMPYGWEZSIOV-VSQXVHSFSA-N 0 3 236.319 0.936 20 0 BCADHN CCC(=O)c1cn(CCN2CCCC2)nn1 ZINC000630618339 364354840 /nfs/dbraw/zinc/35/48/40/364354840.db2.gz VRAHFVHBXNDNRD-UHFFFAOYSA-N 0 3 222.292 0.967 20 0 BCADHN C/C=C/c1cn(C[C@H]2CNCCO2)nn1 ZINC000630616962 364354850 /nfs/dbraw/zinc/35/48/50/364354850.db2.gz OXKRPYRAZKUJLF-VMZHVLLKSA-N 0 3 208.265 0.300 20 0 BCADHN COCCN(C)CCNC(=O)N[C@@H]1C[C@H]1C ZINC000170815468 364360639 /nfs/dbraw/zinc/36/06/39/364360639.db2.gz FFLYCDOXGMUUJJ-NXEZZACHSA-N 0 3 229.324 0.272 20 0 BCADHN COCCOC[C@@H](O)CN1CC(C2CCC2)C1 ZINC000453015250 202682978 /nfs/dbraw/zinc/68/29/78/202682978.db2.gz LKUQNNCWWWPEDS-ZDUSSCGKSA-N 0 3 243.347 0.742 20 0 BCADHN CCN(CC)C(=O)CN[C@H]1CCO[C@@H]1C ZINC000134002227 364382458 /nfs/dbraw/zinc/38/24/58/364382458.db2.gz HLLYUOUCTUSHEL-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000134254843 364395700 /nfs/dbraw/zinc/39/57/00/364395700.db2.gz UUNQOAAYGTXIMV-HRDYMLBCSA-N 0 3 200.282 0.407 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000134255762 364397443 /nfs/dbraw/zinc/39/74/43/364397443.db2.gz QVALLVMKODAFGC-JLIMGVALSA-N 0 3 214.309 0.653 20 0 BCADHN CC(C)O[C@@H]1C[C@@H](N[C@@H]2COC[C@@H]2O)C1(C)C ZINC000631676187 364398522 /nfs/dbraw/zinc/39/85/22/364398522.db2.gz WSIVVEATRBVNRS-WRWGMCAJSA-N 0 3 243.347 0.928 20 0 BCADHN CO[C@@H](C)[C@@H](C)NCC(=O)NCC1CC1 ZINC000134619592 364408688 /nfs/dbraw/zinc/40/86/88/364408688.db2.gz FYAYGYNJMWKBAB-BDAKNGLRSA-N 0 3 214.309 0.526 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CCO[C@H]1C ZINC000134540812 364405093 /nfs/dbraw/zinc/40/50/93/364405093.db2.gz ZFGDMWVRAYZKRL-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN CCC[C@H](N)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC000630615800 364351640 /nfs/dbraw/zinc/35/16/40/364351640.db2.gz DGSUZVQNJFLYEV-FXBDTBDDSA-N 0 3 210.281 0.774 20 0 BCADHN c1c(-c2ccccn2)nnn1C[C@H]1CNCCO1 ZINC000630616021 364351717 /nfs/dbraw/zinc/35/17/17/364351717.db2.gz DROBKEVMYNBFCM-SNVBAGLBSA-N 0 3 245.286 0.329 20 0 BCADHN CN(C)CCn1cc(C(=O)NC(C)(C)C)cn1 ZINC000630671899 364433520 /nfs/dbraw/zinc/43/35/20/364433520.db2.gz YDXGGJYSTFSVKV-UHFFFAOYSA-N 0 3 238.335 0.973 20 0 BCADHN O=C1C[C@H](N2CCC3(CCC3)CC2)C(=O)N1 ZINC000653281494 541357331 /nfs/dbraw/zinc/35/73/31/541357331.db2.gz LGELNJKCGZHJIW-VIFPVBQESA-N 0 3 222.288 0.668 20 0 BCADHN CCOC(=O)COCCN(C)[C@H]1CCOC1 ZINC000134727144 364412863 /nfs/dbraw/zinc/41/28/63/364412863.db2.gz UYKVGDXCVAFEKN-JTQLQIEISA-N 0 3 231.292 0.287 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000547779387 364428001 /nfs/dbraw/zinc/42/80/01/364428001.db2.gz ZCSZGBKGNUDOJC-DGCLKSJQSA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)[C@](C)(O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000547779389 364428917 /nfs/dbraw/zinc/42/89/17/364428917.db2.gz ZCSZGBKGNUDOJC-YPMHNXCESA-N 0 3 242.363 0.851 20 0 BCADHN CCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000136355057 364470314 /nfs/dbraw/zinc/47/03/14/364470314.db2.gz PDALGWWVBZZXTO-SECBINFHSA-N 0 3 211.309 0.932 20 0 BCADHN CON1CCC(C(=O)NC[C@H](C)N(C)C)CC1 ZINC000630716436 364495041 /nfs/dbraw/zinc/49/50/41/364495041.db2.gz OHUGITZLZSLCRL-JTQLQIEISA-N 0 3 243.351 0.326 20 0 BCADHN CCn1ncc(C(=O)NC[C@@H](C)N(C)C)c1C ZINC000630716443 364495669 /nfs/dbraw/zinc/49/56/69/364495669.db2.gz OJIFRKOIRBLKQS-SECBINFHSA-N 0 3 238.335 0.891 20 0 BCADHN COCCN(C)CCCNC(=O)C1CSC1 ZINC000630732682 364523835 /nfs/dbraw/zinc/52/38/35/364523835.db2.gz GMQLQJRPOUAIHI-UHFFFAOYSA-N 0 3 246.376 0.434 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000170854947 364531057 /nfs/dbraw/zinc/53/10/57/364531057.db2.gz NPMFYFUNCNQTGN-NXEZZACHSA-N 0 3 212.293 0.185 20 0 BCADHN C[C@H]1CCCN(CCNC(=O)CCCCO)C1 ZINC000630741996 364531191 /nfs/dbraw/zinc/53/11/91/364531191.db2.gz AEKPQQAOKMTMBI-LBPRGKRZSA-N 0 3 242.363 0.997 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H]2COCC[C@H]2O)CO1 ZINC000631271802 364554095 /nfs/dbraw/zinc/55/40/95/364554095.db2.gz IQLLGJCATSWRCE-LNFKQOIKSA-N 0 3 215.293 0.293 20 0 BCADHN Cc1nocc1C(=O)NCCN(C)C1CC1 ZINC000630824487 364580680 /nfs/dbraw/zinc/58/06/80/364580680.db2.gz BREOPHPJRSJLMY-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN CC[C@H](NC(C)=O)C(=O)NCCN(C)C1CC1 ZINC000630824618 364580902 /nfs/dbraw/zinc/58/09/02/364580902.db2.gz YKTBYPLENFKKMA-NSHDSACASA-N 0 3 241.335 0.112 20 0 BCADHN CN(CCNC(=O)CCC1(O)CCC1)C1CC1 ZINC000630827317 364583527 /nfs/dbraw/zinc/58/35/27/364583527.db2.gz XEVZKTQTSUBYOI-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN CC(C)OC[C@H](O)CN(C)C[C@H](C)O ZINC000246632727 364604895 /nfs/dbraw/zinc/60/48/95/364604895.db2.gz OLYITSWMNZJHIG-VHSXEESVSA-N 0 3 205.298 0.085 20 0 BCADHN CN1CC[C@@]2(CCN(C(=O)c3ncc[nH]3)C2)C1 ZINC000615203199 364626455 /nfs/dbraw/zinc/62/64/55/364626455.db2.gz KPXMVIUOOACZPI-GFCCVEGCSA-N 0 3 234.303 0.578 20 0 BCADHN CC[C@]1(NCC(=O)NCC2CC2)CCOC1 ZINC000390516978 541371932 /nfs/dbraw/zinc/37/19/32/541371932.db2.gz DGDNOTYPWHYEEO-LBPRGKRZSA-N 0 3 226.320 0.671 20 0 BCADHN COc1cc(CN[C@@H](C)CC(N)=O)sn1 ZINC000399037327 364737885 /nfs/dbraw/zinc/73/78/85/364737885.db2.gz BBJVWPRDNQGQCX-LURJTMIESA-N 0 3 229.305 0.505 20 0 BCADHN CCCN1CC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC000619901801 364747923 /nfs/dbraw/zinc/74/79/23/364747923.db2.gz ZJRGGITUXANOGF-SNVBAGLBSA-N 0 3 236.319 0.634 20 0 BCADHN O[C@@H]1CC[C@@H]2CN(Cc3c[nH]cn3)C[C@@H]12 ZINC000573352356 364807141 /nfs/dbraw/zinc/80/71/41/364807141.db2.gz MCHVZOCXJFQRSS-FBIMIBRVSA-N 0 3 207.277 0.612 20 0 BCADHN O[C@@H]1CC[C@@H]2CN(Cc3cnc[nH]3)C[C@@H]12 ZINC000573352356 364807145 /nfs/dbraw/zinc/80/71/45/364807145.db2.gz MCHVZOCXJFQRSS-FBIMIBRVSA-N 0 3 207.277 0.612 20 0 BCADHN O[C@@H]1CC[C@H]2CN(Cc3c[nH]cn3)C[C@H]12 ZINC000573352357 364807260 /nfs/dbraw/zinc/80/72/60/364807260.db2.gz MCHVZOCXJFQRSS-INTQDDNPSA-N 0 3 207.277 0.612 20 0 BCADHN O[C@@H]1CC[C@H]2CN(Cc3cnc[nH]3)C[C@H]12 ZINC000573352357 364807263 /nfs/dbraw/zinc/80/72/63/364807263.db2.gz MCHVZOCXJFQRSS-INTQDDNPSA-N 0 3 207.277 0.612 20 0 BCADHN CCN(CC)CC(=O)N1CCO[C@H](C)[C@H]1C ZINC000167652903 364802284 /nfs/dbraw/zinc/80/22/84/364802284.db2.gz WWVSNZXGORIUOP-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN COc1ncccc1CN[C@H](C)[C@@H](C)O ZINC000087128169 364752415 /nfs/dbraw/zinc/75/24/15/364752415.db2.gz XWSLTILAGIZZDI-RKDXNWHRSA-N 0 3 210.277 0.949 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@H]2CSCN2)C1 ZINC000166382680 364787206 /nfs/dbraw/zinc/78/72/06/364787206.db2.gz OGDTZUNTFXOYIE-NXEZZACHSA-N 0 3 243.376 0.107 20 0 BCADHN COC(=O)CC1(NC[C@@H](C)OC)CC1 ZINC000573376117 364814633 /nfs/dbraw/zinc/81/46/33/364814633.db2.gz HZRXDRGPBKSRBX-MRVPVSSYSA-N 0 3 201.266 0.707 20 0 BCADHN CO[C@@H]1COC[C@H]1NCc1cccn1C ZINC000573444507 364834914 /nfs/dbraw/zinc/83/49/14/364834914.db2.gz MQEDVAHHPPVNLU-GHMZBOCLSA-N 0 3 210.277 0.529 20 0 BCADHN Cc1ncc(CN[C@H](C)CC[S@](C)=O)n1C ZINC000573459920 364840199 /nfs/dbraw/zinc/84/01/99/364840199.db2.gz QWVVPWDICGVCPD-ABKXIKBNSA-N 0 3 243.376 0.975 20 0 BCADHN C[C@H](Cc1cnn(C)c1)NCc1ccn(C)n1 ZINC000573588647 364870316 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C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000576159010 365503290 /nfs/dbraw/zinc/50/32/90/365503290.db2.gz HXJSGZHCUJDGIB-SFYZADRCSA-N 0 3 232.305 0.684 20 0 BCADHN CN[C@H](C)C(=O)N[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000576171398 365508911 /nfs/dbraw/zinc/50/89/11/365508911.db2.gz MLVNHDNGTNTOPN-HRDYMLBCSA-N 0 3 228.292 0.052 20 0 BCADHN CO[C@@](C)(CO)CNCc1cccc(O)c1 ZINC000655810595 541482267 /nfs/dbraw/zinc/48/22/67/541482267.db2.gz MUFKDNUZASFTCN-GFCCVEGCSA-N 0 3 225.288 0.879 20 0 BCADHN CN(C[C@H]1CCCN1C)c1cc(=O)n(C)cn1 ZINC000579733273 366998208 /nfs/dbraw/zinc/99/82/08/366998208.db2.gz HLFOGXKLZPCLNL-SNVBAGLBSA-N 0 3 236.319 0.311 20 0 BCADHN NC1(C(=O)Nc2ccnc3ccnn32)CCC1 ZINC000579712991 366989278 /nfs/dbraw/zinc/98/92/78/366989278.db2.gz ROBQLLDZIDIKSA-UHFFFAOYSA-N 0 3 231.259 0.549 20 0 BCADHN C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000579830222 367036191 /nfs/dbraw/zinc/03/61/91/367036191.db2.gz QVQDTXVLLJYQPB-BDAKNGLRSA-N 0 3 235.287 0.401 20 0 BCADHN C[C@@H](NC(=O)N1CCN(C)C[C@@H]1CN)C1CC1 ZINC000580762696 367066184 /nfs/dbraw/zinc/06/61/84/367066184.db2.gz AABJTQJDGZLEBZ-KOLCDFICSA-N 0 3 240.351 0.069 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)CCCC(=O)N(C)C ZINC000579907661 367072245 /nfs/dbraw/zinc/07/22/45/367072245.db2.gz GPBKSDAJMVFUDP-QLJPJBMISA-N 0 3 248.392 0.554 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000579949284 367097483 /nfs/dbraw/zinc/09/74/83/367097483.db2.gz FNEZOMSZVZFGHK-ZNSHCXBVSA-N 0 3 226.320 0.653 20 0 BCADHN CC(C)N(CCCc1cncn1C)CC(N)=O ZINC000579968591 367108072 /nfs/dbraw/zinc/10/80/72/367108072.db2.gz HQXPDXRPBBUTML-UHFFFAOYSA-N 0 3 238.335 0.548 20 0 BCADHN COCCN(C)C[C@H](O)CN1CC=C(C)CC1 ZINC000580812105 367174441 /nfs/dbraw/zinc/17/44/41/367174441.db2.gz INJPDAHGNUFLLA-ZDUSSCGKSA-N 0 3 242.363 0.578 20 0 BCADHN CN1CCC(NC(=O)[C@@H]2CC23CC3)CC1 ZINC000622285588 370823278 /nfs/dbraw/zinc/82/32/78/370823278.db2.gz WOQUIFQFKWTZOZ-JTQLQIEISA-N 0 3 208.305 0.997 20 0 BCADHN C[C@@H](CNC[C@H]1CCCCO1)S(C)(=O)=O ZINC000580768897 367160617 /nfs/dbraw/zinc/16/06/17/367160617.db2.gz BVNPYWCPAGDNGN-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CO[C@@H](CN)C(=O)NCCC[C@@H]1CCCCO1 ZINC000580888100 367197879 /nfs/dbraw/zinc/19/78/79/367197879.db2.gz XQQCCOBTRUSDOT-QWRGUYRKSA-N 0 3 244.335 0.426 20 0 BCADHN C[C@H](N(C)C(=O)COC1CNC1)C(C)(C)C ZINC000581130733 367272328 /nfs/dbraw/zinc/27/23/28/367272328.db2.gz XWILSCYUKQNUFO-VIFPVBQESA-N 0 3 228.336 0.868 20 0 BCADHN CN[C@@H](C)C(=O)N1CCN(C)c2ncccc21 ZINC000581142658 367277356 /nfs/dbraw/zinc/27/73/56/367277356.db2.gz PKTFQBKRAJMHIZ-VIFPVBQESA-N 0 3 234.303 0.472 20 0 BCADHN COC[C@H](NC(=O)[C@@H](N)CC(F)F)C(C)C ZINC000380684128 367278366 /nfs/dbraw/zinc/27/83/66/367278366.db2.gz HBOHDLBUIZEBBS-YUMQZZPRSA-N 0 3 238.278 0.756 20 0 BCADHN CO[C@H](CN)C(=O)N1CCNCc2ccccc21 ZINC000581006351 367231187 /nfs/dbraw/zinc/23/11/87/367231187.db2.gz LMVVUWYVFGJFRT-GFCCVEGCSA-N 0 3 249.314 0.097 20 0 BCADHN O=C1C[C@@H](CNCc2cc[nH]n2)CN1C1CC1 ZINC000581076221 367255869 /nfs/dbraw/zinc/25/58/69/367255869.db2.gz BRAQHIAMCWPXBB-VIFPVBQESA-N 0 3 234.303 0.510 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)C2CCC2)CC[S@@]1=O ZINC000581308392 367336213 /nfs/dbraw/zinc/33/62/13/367336213.db2.gz LUJAHTXSFAKLHR-DRGRQASISA-N 0 3 244.360 0.093 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H](N)C2CCC2)CC[S@]1=O ZINC000581308391 367336753 /nfs/dbraw/zinc/33/67/53/367336753.db2.gz LUJAHTXSFAKLHR-DOZZXWOPSA-N 0 3 244.360 0.093 20 0 BCADHN CC1(C)C[C@@H](N[C@H]2COC[C@H]2O)C(C)(C)O1 ZINC000381030961 367337723 /nfs/dbraw/zinc/33/77/23/367337723.db2.gz AIDQUDQHPAEZSY-IVZWLZJFSA-N 0 3 229.320 0.682 20 0 BCADHN Cc1nccc(C(=O)NC[C@H]2CCN(C)C2)n1 ZINC000170913770 367340957 /nfs/dbraw/zinc/34/09/57/367340957.db2.gz XOTZVHCHMXSHEF-SNVBAGLBSA-N 0 3 234.303 0.467 20 0 BCADHN CCn1nc(C)c(CNC(=O)CN)c1C ZINC000381307313 367378709 /nfs/dbraw/zinc/37/87/09/367378709.db2.gz KDMLJDYXGMMQRX-UHFFFAOYSA-N 0 3 210.281 0.095 20 0 BCADHN C[C@H](CNCC1(N(C)C)CCC1)S(C)(=O)=O ZINC000581365868 367396487 /nfs/dbraw/zinc/39/64/87/367396487.db2.gz PXCWWAPDNQNNNS-SNVBAGLBSA-N 0 3 248.392 0.493 20 0 BCADHN COc1ccc([O-])c(C(=O)N[C@H](C)[C@H](C)[NH3+])c1 ZINC000381416850 367397893 /nfs/dbraw/zinc/39/78/93/367397893.db2.gz ZNXNXTYIMJBVNM-JGVFFNPUSA-N 0 3 238.287 0.866 20 0 BCADHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)C(N)=O ZINC000381484748 367416520 /nfs/dbraw/zinc/41/65/20/367416520.db2.gz UTLDCRJQXXFILX-YIZRAAEISA-N 0 3 228.292 0.182 20 0 BCADHN COC[C@H](CNC[C@@](C)(O)C(F)(F)F)OC ZINC000381496473 367419708 /nfs/dbraw/zinc/41/97/08/367419708.db2.gz OBLAGEWTSZJKIE-JGVFFNPUSA-N 0 3 245.241 0.551 20 0 BCADHN CCN(CC(N)=O)C[C@@H]1CCCC[C@@H]1O ZINC000581348773 367368916 /nfs/dbraw/zinc/36/89/16/367368916.db2.gz YWLVCENDYQKOEW-UWVGGRQHSA-N 0 3 214.309 0.345 20 0 BCADHN C[C@@H]1CCN(CCNCc2cn(C)nn2)C1 ZINC000381268583 367371602 /nfs/dbraw/zinc/37/16/02/367371602.db2.gz UWFSUKAICYLNJK-SNVBAGLBSA-N 0 3 223.324 0.247 20 0 BCADHN CC(=O)[C@](C)(O)CN[C@H]1C[C@@H](O)C1(C)C ZINC000581437878 367470851 /nfs/dbraw/zinc/47/08/51/367470851.db2.gz ZTCWFMQXSYWZPW-IQJOONFLSA-N 0 3 215.293 0.075 20 0 BCADHN CC[C@H](O)CC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000622347870 370861992 /nfs/dbraw/zinc/86/19/92/370861992.db2.gz YUJRDJQILOGQCM-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN CO[C@H](CN)C(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000565361149 325901275 /nfs/dbraw/zinc/90/12/75/325901275.db2.gz HULLBRSBUGXEIE-NXEZZACHSA-N 0 3 246.351 0.119 20 0 BCADHN C[C@@H]1COCCN1C1CCN(CCO)CC1 ZINC000581467085 367495177 /nfs/dbraw/zinc/49/51/77/367495177.db2.gz ZIUOPQKFDGLBHI-LLVKDONJSA-N 0 3 228.336 0.164 20 0 BCADHN FC(F)[C@H]1CNCCN1Cc1ccno1 ZINC000381577345 367432415 /nfs/dbraw/zinc/43/24/15/367432415.db2.gz BYOYGCODJNAELZ-MRVPVSSYSA-N 0 3 217.219 0.714 20 0 BCADHN COCC[C@@H](CO)NC[C@@](C)(O)C(F)(F)F ZINC000381594455 367434838 /nfs/dbraw/zinc/43/48/38/367434838.db2.gz FBRSGXYHQOTQNG-JGVFFNPUSA-N 0 3 245.241 0.287 20 0 BCADHN C[C@@H]1OCC[C@@]1(C)NC[C@@H]1CN(C)C(=O)O1 ZINC000382179361 367495431 /nfs/dbraw/zinc/49/54/31/367495431.db2.gz ZAPKDZDGVUHHGY-IQJOONFLSA-N 0 3 228.292 0.594 20 0 BCADHN COC[C@]1(C)CCN([C@H](C)C(N)=O)C1 ZINC000381857995 367463564 /nfs/dbraw/zinc/46/35/64/367463564.db2.gz ZVCNOXLJVKAOMF-PSASIEDQSA-N 0 3 200.282 0.219 20 0 BCADHN COC[C@@](C)(O)CNCc1cc(C)nn1C ZINC000382544486 367536336 /nfs/dbraw/zinc/53/63/36/367536336.db2.gz CKIFQWCEGBNKRU-NSHDSACASA-N 0 3 227.308 0.216 20 0 BCADHN COC[C@@](C)(O)C[NH2+]Cc1nc(C)ccc1[O-] ZINC000382550587 367537080 /nfs/dbraw/zinc/53/70/80/367537080.db2.gz HKEAFHKPRVUBEO-LBPRGKRZSA-N 0 3 240.303 0.583 20 0 BCADHN COC[C@](C)(O)CNCc1cnn2ccccc12 ZINC000382550659 367537202 /nfs/dbraw/zinc/53/72/02/367537202.db2.gz HLGORVDVXKKCOK-CYBMUJFWSA-N 0 3 249.314 0.821 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)[C@H]1CCOC1 ZINC000382922030 367566658 /nfs/dbraw/zinc/56/66/58/367566658.db2.gz CMHQSOXJPQZUIW-WPRPVWTQSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)[C@@H]1CCOC1 ZINC000382922025 367566712 /nfs/dbraw/zinc/56/67/12/367566712.db2.gz CMHQSOXJPQZUIW-PSASIEDQSA-N 0 3 212.293 0.374 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000382921191 367566890 /nfs/dbraw/zinc/56/68/90/367566890.db2.gz CHTQKFFLHQRIRF-WPRPVWTQSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N(C)CCN(C)C)CO1 ZINC000581545196 367571205 /nfs/dbraw/zinc/57/12/05/367571205.db2.gz DWJSNUFHHHRSKJ-NXEZZACHSA-N 0 3 229.324 0.367 20 0 BCADHN CCCNC(=O)CN(C)[C@H](C)C(C)(C)O ZINC000382945480 367571917 /nfs/dbraw/zinc/57/19/17/367571917.db2.gz KIPGLQINGOQCPQ-SECBINFHSA-N 0 3 216.325 0.604 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC(=O)[C@H](C)NC1CC1 ZINC000382985299 367579682 /nfs/dbraw/zinc/57/96/82/367579682.db2.gz VQPTVKLDIZKNIA-IUCAKERBSA-N 0 3 241.335 0.110 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)[C@@H](C)NC1CC1 ZINC000382981973 367580125 /nfs/dbraw/zinc/58/01/25/367580125.db2.gz UPPHWJAOKGWPBW-MWLCHTKSSA-N 0 3 228.336 0.650 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC1CC1 ZINC000382985298 367580442 /nfs/dbraw/zinc/58/04/42/367580442.db2.gz VQPTVKLDIZKNIA-DTWKUNHWSA-N 0 3 241.335 0.110 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1ccnn1C ZINC000382987130 367581711 /nfs/dbraw/zinc/58/17/11/367581711.db2.gz WLMGKEZYWYZFLR-SSDOTTSWSA-N 0 3 208.265 0.499 20 0 BCADHN COC[C@@H](NC(=O)[C@H](C)NC1CC1)C(C)C ZINC000382962335 367572982 /nfs/dbraw/zinc/57/29/82/367572982.db2.gz OYBCUTPVGHYCCR-GXSJLCMTSA-N 0 3 228.336 0.914 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@@H](C)NC1CC1 ZINC000382960329 367573331 /nfs/dbraw/zinc/57/33/31/367573331.db2.gz OHJVKYCBNOTEJM-HTQZYQBOSA-N 0 3 228.292 0.195 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCc1ccno1 ZINC000382957317 367573424 /nfs/dbraw/zinc/57/34/24/367573424.db2.gz NIHYEYWYPOJXMX-SSDOTTSWSA-N 0 3 209.249 0.431 20 0 BCADHN COC[C@H](NC(=O)[C@H](C)NC1CC1)C(C)C ZINC000382962339 367573753 /nfs/dbraw/zinc/57/37/53/367573753.db2.gz OYBCUTPVGHYCCR-ONGXEEELSA-N 0 3 228.336 0.914 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000383115252 367598035 /nfs/dbraw/zinc/59/80/35/367598035.db2.gz FVRGMXQXARNEOT-VHSXEESVSA-N 0 3 236.319 0.528 20 0 BCADHN COC[C@@H](O)CNC[C@@H](OC)c1ccccc1 ZINC000383161125 367602928 /nfs/dbraw/zinc/60/29/28/367602928.db2.gz KTBBFBJXLCEBFI-QWHCGFSZSA-N 0 3 239.315 0.971 20 0 BCADHN COC[C@@H](C)N(C)C(=O)[C@@H](C)NC1CC1 ZINC000383450432 367623359 /nfs/dbraw/zinc/62/33/59/367623359.db2.gz ZLQYQPSRXHVGSX-RKDXNWHRSA-N 0 3 214.309 0.620 20 0 BCADHN CCn1nncc1CNC[C@]1(O)CCC[C@@H]1C ZINC000581597579 367623461 /nfs/dbraw/zinc/62/34/61/367623461.db2.gz DFJPCIPADQUNFZ-CMPLNLGQSA-N 0 3 238.335 0.939 20 0 BCADHN CC(=O)NCCCN[C@H](C)c1nccnc1C ZINC000383501742 367630549 /nfs/dbraw/zinc/63/05/49/367630549.db2.gz YFLLSLAKUQAHSL-SECBINFHSA-N 0 3 236.319 0.962 20 0 BCADHN C[C@H](CNCCc1ccncc1)S(C)(=O)=O ZINC000581602889 367627767 /nfs/dbraw/zinc/62/77/67/367627767.db2.gz YQOAOLJDRFFCHM-SNVBAGLBSA-N 0 3 242.344 0.647 20 0 BCADHN Cc1cnccc1CNC(=O)[C@H](N)CC(F)F ZINC000383350283 367614824 /nfs/dbraw/zinc/61/48/24/367614824.db2.gz OFKBLFLEBOLTSX-SECBINFHSA-N 0 3 243.257 0.989 20 0 BCADHN COCCCNC(=O)[C@@H](C)N[C@H](C)[C@H](C)OC ZINC000581639726 367644433 /nfs/dbraw/zinc/64/44/33/367644433.db2.gz BOWLOQQUYUMJOW-MXWKQRLJSA-N 0 3 246.351 0.541 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@H](O)[C@H](C)C1 ZINC000581664532 367664169 /nfs/dbraw/zinc/66/41/69/367664169.db2.gz RQERRODRFMGLGG-MNOVXSKESA-N 0 3 243.351 0.397 20 0 BCADHN C[C@H](CN1C[C@H](O)[C@@H](O)C1)c1ccccc1 ZINC000384301794 367683209 /nfs/dbraw/zinc/68/32/09/367683209.db2.gz JDMIIDJXXGKHHI-WXHSDQCUSA-N 0 3 221.300 0.828 20 0 BCADHN C[C@@H]1C[C@H](NC[C@H](O)C(F)F)[C@@H](C)O1 ZINC000384551264 367698664 /nfs/dbraw/zinc/69/86/64/367698664.db2.gz GFPZYCMQMOBXGU-NGJRWZKOSA-N 0 3 209.236 0.768 20 0 BCADHN CC/C=C\CNCc1cn(C)c(=O)n(C)c1=O ZINC000384765332 367728384 /nfs/dbraw/zinc/72/83/84/367728384.db2.gz QVZXGENKXAKCBL-WAYWQWQTSA-N 0 3 237.303 0.140 20 0 BCADHN CCCNC(=O)CN(CCC)C(=O)[C@H]1CCN1 ZINC000384797986 367733604 /nfs/dbraw/zinc/73/36/04/367733604.db2.gz QKHZZDVQYNUXHN-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN O=C(Nc1ccc(CCO)cc1)[C@H]1CCN1 ZINC000384814768 367736475 /nfs/dbraw/zinc/73/64/75/367736475.db2.gz JVZQTNVBEIZZAK-LLVKDONJSA-N 0 3 220.272 0.522 20 0 BCADHN O=C(Nc1ccc(N2CCCC2)nc1)[C@H]1CCN1 ZINC000384815074 367736630 /nfs/dbraw/zinc/73/66/30/367736630.db2.gz KEMNKZHNBSTVQG-LLVKDONJSA-N 0 3 246.314 0.982 20 0 BCADHN NC(=O)c1ccc(F)c(NC(=O)[C@H]2CCN2)c1 ZINC000384830051 367738848 /nfs/dbraw/zinc/73/88/48/367738848.db2.gz IWHILJXGZZQYQU-MRVPVSSYSA-N 0 3 237.234 0.225 20 0 BCADHN CCOC[C@H](O)CN1CCC(OCC)CC1 ZINC000068950405 370864569 /nfs/dbraw/zinc/86/45/69/370864569.db2.gz ZXBGRVAUHRDSMX-LLVKDONJSA-N 0 3 231.336 0.885 20 0 BCADHN COCC(COC)N[C@@H](C)[C@H]1CCCO1 ZINC000384889980 367751858 /nfs/dbraw/zinc/75/18/58/367751858.db2.gz XSKHYWDGPLGOJY-GXSJLCMTSA-N 0 3 217.309 0.805 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384919790 367756773 /nfs/dbraw/zinc/75/67/73/367756773.db2.gz QZKGXZABASTUBJ-UTINFBMNSA-N 0 3 214.309 0.667 20 0 BCADHN Cc1cccc(CNCCC(=O)NC(N)=O)n1 ZINC000581721282 367783939 /nfs/dbraw/zinc/78/39/39/367783939.db2.gz NTVLXLMPCGCRHI-UHFFFAOYSA-N 0 3 236.275 0.065 20 0 BCADHN OCC1(CN2CC[C@H](c3cccnc3)C2)COC1 ZINC000581723834 367786240 /nfs/dbraw/zinc/78/62/40/367786240.db2.gz ALRHHJOJNFBQHN-ZDUSSCGKSA-N 0 3 248.326 0.880 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)C1CC(O)C1 ZINC000581725016 367789818 /nfs/dbraw/zinc/78/98/18/367789818.db2.gz NHZDWZJPWSMNLN-NFTFJBJSSA-N 0 3 214.309 0.342 20 0 BCADHN COC(=O)CC1(NCCCS(C)(=O)=O)CC1 ZINC000581887274 367878201 /nfs/dbraw/zinc/87/82/01/367878201.db2.gz KRUPUAVBYZAKSQ-UHFFFAOYSA-N 0 3 249.332 0.106 20 0 BCADHN CC[C@@H]1[C@@H](CO)CCN1CC(=O)NCC(C)C ZINC000385896124 367878374 /nfs/dbraw/zinc/87/83/74/367878374.db2.gz NWNXGHTYDLUWPN-VXGBXAGGSA-N 0 3 242.363 0.851 20 0 BCADHN CCC(C)(C)NC(=O)CN1CC[C@@H](CO)[C@@H]1C ZINC000385714103 367857775 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CC[C@H](C(=O)NC[C@H](C)N1CCCC1)[C@H](C)O ZINC000567480615 326201237 /nfs/dbraw/zinc/20/12/37/326201237.db2.gz DYKQXKROAFIPPQ-SRVKXCTJSA-N 0 3 242.363 0.994 20 0 BCADHN CCN(C(=O)NCCN(C)C1CC1)C1COC1 ZINC000458381023 203168820 /nfs/dbraw/zinc/16/88/20/203168820.db2.gz IKHBAJVZDUYAPS-UHFFFAOYSA-N 0 3 241.335 0.511 20 0 BCADHN C[C@@H](SCCN(C)C)c1nnnn1C ZINC000189064591 259537294 /nfs/dbraw/zinc/53/72/94/259537294.db2.gz AHLJBBTUMOAWJG-SSDOTTSWSA-N 0 3 215.326 0.566 20 0 BCADHN C[C@@H]1CN(C(=O)NCCOCCN(C)C)[C@@H]1C ZINC000458684352 203188452 /nfs/dbraw/zinc/18/84/52/203188452.db2.gz DROCMYXBOFTHEJ-GHMZBOCLSA-N 0 3 243.351 0.614 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@H]1[C@H](C)O ZINC000618918680 369240798 /nfs/dbraw/zinc/24/07/98/369240798.db2.gz AKRLSDUXMYUECY-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H](O)[C@H]1CCCN1C(=O)C1CCN(C)CC1 ZINC000618922785 369242464 /nfs/dbraw/zinc/24/24/64/369242464.db2.gz SAUYSATZMBSJDW-CMPLNLGQSA-N 0 3 240.347 0.700 20 0 BCADHN 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ZINC000458874322 203204668 /nfs/dbraw/zinc/20/46/68/203204668.db2.gz GSKURBXNYIEKFG-SECBINFHSA-N 0 3 219.304 0.938 20 0 BCADHN CC/C=C\CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000459028134 203224754 /nfs/dbraw/zinc/22/47/54/203224754.db2.gz WXQQVVXZWQLAMM-QMAVJUDZSA-N 0 3 241.335 0.318 20 0 BCADHN CC[C@]1(O)CCN(C(=O)NC[C@H](C)N(C)C)C1 ZINC000459042060 203225352 /nfs/dbraw/zinc/22/53/52/203225352.db2.gz OFRBMYLQCICVGF-JQWIXIFHSA-N 0 3 243.351 0.493 20 0 BCADHN C[C@@H](CNC(=O)NC1(CO)CCC1)N(C)C ZINC000459042135 203225482 /nfs/dbraw/zinc/22/54/82/203225482.db2.gz OSNSQXNMXWIFBD-VIFPVBQESA-N 0 3 229.324 0.151 20 0 BCADHN CCN(CC(C)(C)O)C(=O)NC[C@H](C)N(C)C ZINC000459037221 203226951 /nfs/dbraw/zinc/22/69/51/203226951.db2.gz GKUMMMVBKDBDJW-JTQLQIEISA-N 0 3 245.367 0.739 20 0 BCADHN C[C@H](O)C[C@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000459038406 203227182 /nfs/dbraw/zinc/22/71/82/203227182.db2.gz HSCDNARDBAEFQM-GUBZILKMSA-N 0 3 231.340 0.395 20 0 BCADHN CC[C@H](CO)N(C)C(=O)NC[C@H](C)N(C)C ZINC000459066192 203229022 /nfs/dbraw/zinc/22/90/22/203229022.db2.gz UYGLMHYQVBTSCZ-VHSXEESVSA-N 0 3 231.340 0.349 20 0 BCADHN C[C@@H](CCO)CCNC(=O)NC[C@H](C)N(C)C ZINC000459054452 203229289 /nfs/dbraw/zinc/22/92/89/203229289.db2.gz IIMMPGKESZFGRK-MNOVXSKESA-N 0 3 245.367 0.644 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H](CO)CC1CC1 ZINC000619046435 369267263 /nfs/dbraw/zinc/26/72/63/369267263.db2.gz RTFPPGZMMVPYFF-LBPRGKRZSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@H](CCCO)CNC(=O)NC[C@H](C)N(C)C ZINC000459072259 203230884 /nfs/dbraw/zinc/23/08/84/203230884.db2.gz ZFQJWFDHFWQWRM-MNOVXSKESA-N 0 3 245.367 0.644 20 0 BCADHN CN(C)CCN(C)C(=O)N[C@@H]1COCC1(C)C ZINC000459187262 203236590 /nfs/dbraw/zinc/23/65/90/203236590.db2.gz KCVVXXOMJARRCO-SNVBAGLBSA-N 0 3 243.351 0.614 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1COCC1(C)C ZINC000459187836 203237615 /nfs/dbraw/zinc/23/76/15/203237615.db2.gz KIUQVXFDBFASMN-SECBINFHSA-N 0 3 229.324 0.272 20 0 BCADHN CO[C@H]1CN(CCc2cn[nH]c2)C[C@@H]1OC ZINC000459410384 203275757 /nfs/dbraw/zinc/27/57/57/203275757.db2.gz CMUGAKFFPMJUBO-QWRGUYRKSA-N 0 3 225.292 0.298 20 0 BCADHN CCc1cc(CNC(=O)CNC2CC2)on1 ZINC000567666014 326241144 /nfs/dbraw/zinc/24/11/44/326241144.db2.gz HBDHBSGAPHWJDA-UHFFFAOYSA-N 0 3 223.276 0.605 20 0 BCADHN CCOC(=O)CCN(C)CCc1cncn1C ZINC000459328002 203257566 /nfs/dbraw/zinc/25/75/66/203257566.db2.gz PJBJXEFMMDCBPG-UHFFFAOYSA-N 0 3 239.319 0.848 20 0 BCADHN Cc1cc(NC(=O)CNC2CC2)c(=O)n(C)c1 ZINC000567664096 326241219 /nfs/dbraw/zinc/24/12/19/326241219.db2.gz SFVQQPUPMOVWBT-UHFFFAOYSA-N 0 3 235.287 0.384 20 0 BCADHN CCN(CCO)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459337860 203260411 /nfs/dbraw/zinc/26/04/11/203260411.db2.gz LMPDXBMRFJPLPY-UHFFFAOYSA-N 0 3 237.303 0.874 20 0 BCADHN COCCN(C[C@@H](C)O)[C@@H]1CCO[C@H]1C ZINC000459430316 203280446 /nfs/dbraw/zinc/28/04/46/203280446.db2.gz QHYZDFBIUXHZNY-OUAUKWLOSA-N 0 3 217.309 0.493 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)[C@H]1CCCOC1 ZINC000402081442 369379758 /nfs/dbraw/zinc/37/97/58/369379758.db2.gz 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0.950 20 0 BCADHN CCOC(=O)CCCN1CCC[C@](O)(CO)C1 ZINC000459635857 203327158 /nfs/dbraw/zinc/32/71/58/203327158.db2.gz QERPTCWSOHPPGD-GFCCVEGCSA-N 0 3 245.319 0.149 20 0 BCADHN CCO[C@H]1C[C@@H](N[C@@H](C)CS(=O)(=O)CC)C1 ZINC000459642109 203329226 /nfs/dbraw/zinc/32/92/26/203329226.db2.gz ZIIFNXRKRDMSMR-GARJFASQSA-N 0 3 249.376 0.967 20 0 BCADHN O=C1CCCN1CCNCc1cccnc1 ZINC000405343955 369453522 /nfs/dbraw/zinc/45/35/22/369453522.db2.gz RLOGVKUTIFNLIC-UHFFFAOYSA-N 0 3 219.288 0.794 20 0 BCADHN OC[C@@H]1CN([C@@H]2C[C@H]2c2ccccc2)C[C@@H]1O ZINC000459674995 203336125 /nfs/dbraw/zinc/33/61/25/203336125.db2.gz JCWCWZNZNQAHIE-FQUUOJAGSA-N 0 3 233.311 0.828 20 0 BCADHN Cc1cc(CNCCN2CCCC2=O)n(C)n1 ZINC000405366937 369457554 /nfs/dbraw/zinc/45/75/54/369457554.db2.gz KXJGYSNLZOODJY-UHFFFAOYSA-N 0 3 236.319 0.441 20 0 BCADHN OC[C@H]1CN(CCOCC2CCCC2)C[C@@H]1O ZINC000459695882 203338610 /nfs/dbraw/zinc/33/86/10/203338610.db2.gz YAYHXLVDIPMKJL-OLZOCXBDSA-N 0 3 243.347 0.478 20 0 BCADHN 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CCCN1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000619893293 369626500 /nfs/dbraw/zinc/62/65/00/369626500.db2.gz QNKJFAKUXAURNG-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN CCCN1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000619893291 369627517 /nfs/dbraw/zinc/62/75/17/369627517.db2.gz QNKJFAKUXAURNG-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H]2COC[C@@H]2C1)N(C)C ZINC000620138361 369744894 /nfs/dbraw/zinc/74/48/94/369744894.db2.gz RPOFTLQYQKSKKR-GRYCIOLGSA-N 0 3 240.347 0.822 20 0 BCADHN CCN(CC)CC(=O)N1CCC2(COC2)C1 ZINC000620292636 369811249 /nfs/dbraw/zinc/81/12/49/369811249.db2.gz WGDZRPNJJCWIDR-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](C)[C@@](C)(CO)C1)N(C)C ZINC000620458894 369885803 /nfs/dbraw/zinc/88/58/03/369885803.db2.gz WRFQEWVDOCPGJR-NQBHXWOUSA-N 0 3 242.363 0.804 20 0 BCADHN CN(C)CCNC(=O)c1n[nH]c2c1CCCC2 ZINC000062065808 369943376 /nfs/dbraw/zinc/94/33/76/369943376.db2.gz ZUTZCNONDVPFMG-UHFFFAOYSA-N 0 3 236.319 0.580 20 0 BCADHN 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CCCOCC(=O)N1CCN[C@H](C(C)C)C1 ZINC000621151626 370124212 /nfs/dbraw/zinc/12/42/12/370124212.db2.gz FNUAPGLMVQGMMQ-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2cocn2)CCN1 ZINC000621153322 370125738 /nfs/dbraw/zinc/12/57/38/370125738.db2.gz PPGOSPARNRYKKY-VIFPVBQESA-N 0 3 223.276 0.745 20 0 BCADHN CCC[C@@](C)(O)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000621155176 370127028 /nfs/dbraw/zinc/12/70/28/370127028.db2.gz AHRPKJFHZOQHRD-WCQYABFASA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)CCN1 ZINC000621154125 370127085 /nfs/dbraw/zinc/12/70/85/370127085.db2.gz GMFRUOQKIJYNFT-NSHDSACASA-N 0 3 249.314 0.857 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H]2CCCOC2)CCN1 ZINC000621153726 370127198 /nfs/dbraw/zinc/12/71/98/370127198.db2.gz YIOFWECVAIETKP-NWDGAFQWSA-N 0 3 240.347 0.869 20 0 BCADHN CCC[C@](C)(O)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000621155174 370127298 /nfs/dbraw/zinc/12/72/98/370127298.db2.gz AHRPKJFHZOQHRD-AAEUAGOBSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@H]1CN(C(=O)C2CC(=O)C2)CCN1 ZINC000621156017 370128546 /nfs/dbraw/zinc/12/85/46/370128546.db2.gz QZCKICQWJPAVAD-LLVKDONJSA-N 0 3 224.304 0.422 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@H]2CO[C@H](C)C2)CCN1 ZINC000621157240 370130228 /nfs/dbraw/zinc/13/02/28/370130228.db2.gz RRJLQJNVEDAPMT-GRYCIOLGSA-N 0 3 240.347 0.868 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000621159546 370131611 /nfs/dbraw/zinc/13/16/11/370131611.db2.gz MRJWSWVSRRDXPB-WDEREUQCSA-N 0 3 228.336 0.460 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@](C)(O)C2CC2)CCN1 ZINC000621159977 370131894 /nfs/dbraw/zinc/13/18/94/370131894.db2.gz WSCMFCWAARUSQF-WCQYABFASA-N 0 3 240.347 0.604 20 0 BCADHN COC[C@@H](C)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000075590331 370146804 /nfs/dbraw/zinc/14/68/04/370146804.db2.gz VDALISPHWLEBFK-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN COC[C@H](C)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000075590329 370147343 /nfs/dbraw/zinc/14/73/43/370147343.db2.gz VDALISPHWLEBFK-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NC[C@H]2CCCOC2)C1 ZINC000253148778 370151346 /nfs/dbraw/zinc/15/13/46/370151346.db2.gz BEPMIZBWBBLVRC-IJLUTSLNSA-N 0 3 240.347 0.917 20 0 BCADHN CCN(CCS(=O)(=O)NC)[C@H](C)C(C)C ZINC000621251435 370185266 /nfs/dbraw/zinc/18/52/66/370185266.db2.gz UNQHCBOOBJTUTQ-SNVBAGLBSA-N 0 3 236.381 0.902 20 0 BCADHN CC[C@@H]1[C@@H](C)CCN1CCS(=O)(=O)NC ZINC000621281171 370209590 /nfs/dbraw/zinc/20/95/90/370209590.db2.gz TYONNHOEVWODPQ-VHSXEESVSA-N 0 3 234.365 0.656 20 0 BCADHN CCN(CCS(=O)(=O)NC)CC1CCC1 ZINC000621288735 370217522 /nfs/dbraw/zinc/21/75/22/370217522.db2.gz HCQRFAANKICRKL-UHFFFAOYSA-N 0 3 234.365 0.658 20 0 BCADHN OC[C@@H](CNCc1cncs1)[C@@H]1CCOC1 ZINC000309582069 370231493 /nfs/dbraw/zinc/23/14/93/370231493.db2.gz QRBZEEJXKKDUBM-NXEZZACHSA-N 0 3 242.344 0.878 20 0 BCADHN OCC[C@@]1(NCC2=CCCOC2)CCOC1 ZINC000309575125 370231842 /nfs/dbraw/zinc/23/18/42/370231842.db2.gz ONBYUUWIAQFYHF-GFCCVEGCSA-N 0 3 227.304 0.464 20 0 BCADHN COC[C@](C)(O)CNCc1c(C)cnn1C 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326329265 /nfs/dbraw/zinc/32/92/65/326329265.db2.gz RXLPZUKTZCONPY-NSHDSACASA-N 0 3 240.347 0.607 20 0 BCADHN CO[C@H]1CCCN(Cc2ccn(C)c(=O)c2)C1 ZINC000076344562 370268478 /nfs/dbraw/zinc/26/84/78/370268478.db2.gz ZNEANFVMBMZMFU-LBPRGKRZSA-N 0 3 236.315 0.996 20 0 BCADHN CCOc1cncc(CN[C@@H](C)CO)c1 ZINC000621339132 370272209 /nfs/dbraw/zinc/27/22/09/370272209.db2.gz WRUNTXHHTDVNAQ-VIFPVBQESA-N 0 3 210.277 0.951 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1nccnc1C ZINC000621343928 370277321 /nfs/dbraw/zinc/27/73/21/370277321.db2.gz VZGDFFZZFCGZEW-MNOVXSKESA-N 0 3 248.330 0.789 20 0 BCADHN CCO[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000076405670 370280180 /nfs/dbraw/zinc/28/01/80/370280180.db2.gz GHEHCGFAEQHGTD-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN CCOc1cncc(CNC[C@](C)(O)CO)c1 ZINC000621350752 370286220 /nfs/dbraw/zinc/28/62/20/370286220.db2.gz SMWXFSSAELFXFI-LBPRGKRZSA-N 0 3 240.303 0.313 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H](C)[C@H](CO)C1 ZINC000621367353 370303263 /nfs/dbraw/zinc/30/32/63/370303263.db2.gz ZDLGQFOQJJWRBV-LPEHRKFASA-N 0 3 214.309 0.201 20 0 BCADHN C[C@@H]1CCN(Cc2cnc[nH]2)C[C@H]1CO ZINC000621372481 370311561 /nfs/dbraw/zinc/31/15/61/370311561.db2.gz WLJIXOGISYJVGX-ZJUUUORDSA-N 0 3 209.293 0.860 20 0 BCADHN COc1cc(C(=O)NC[C@H](C)N(C)C)sn1 ZINC000621539780 370383369 /nfs/dbraw/zinc/38/33/69/370383369.db2.gz YETWKXZAICMXDO-ZETCQYMHSA-N 0 3 243.332 0.832 20 0 BCADHN O[C@@H]1CCCN(CCOC[C@@H]2CCCO2)C1 ZINC000112684390 370344572 /nfs/dbraw/zinc/34/45/72/370344572.db2.gz BXURINSNNSQAJG-NEPJUHHUSA-N 0 3 229.320 0.639 20 0 BCADHN O=C(C[C@@H]1CNCCO1)NCC[C@@H]1CC1(F)F ZINC000621671409 370422680 /nfs/dbraw/zinc/42/26/80/370422680.db2.gz RIEPKBGOYGFGKQ-RKDXNWHRSA-N 0 3 248.273 0.526 20 0 BCADHN COCCNCC(=O)NCc1oc(C)nc1C ZINC000311681400 370423366 /nfs/dbraw/zinc/42/33/66/370423366.db2.gz METGTLYJFPCZPW-UHFFFAOYSA-N 0 3 241.291 0.144 20 0 BCADHN CC1CC(CNC(=O)C[C@H]2CNCCO2)C1 ZINC000621672650 370424133 /nfs/dbraw/zinc/42/41/33/370424133.db2.gz NRDHHGQSONZZSU-ILDUYXDCSA-N 0 3 226.320 0.527 20 0 BCADHN NC1(C(=O)NCC[C@H]2CC2(F)F)CC1 ZINC000621674410 370427139 /nfs/dbraw/zinc/42/71/39/370427139.db2.gz SERRRAMWJJOKDT-LURJTMIESA-N 0 3 204.220 0.639 20 0 BCADHN COC(=O)CNC(=O)[C@@H](C)N(C)CCC(C)C ZINC000077211825 370401261 /nfs/dbraw/zinc/40/12/61/370401261.db2.gz CQNZHZZEDPPRPP-SNVBAGLBSA-N 0 3 244.335 0.642 20 0 BCADHN CCOc1cncc(CN2CC[C@H](C(N)=O)C2)c1 ZINC000621709000 370453508 /nfs/dbraw/zinc/45/35/08/370453508.db2.gz HVJNLCJZMYCEEW-NSHDSACASA-N 0 3 249.314 0.788 20 0 BCADHN C[C@H](CO)[C@H](C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000077785894 370461028 /nfs/dbraw/zinc/46/10/28/370461028.db2.gz YUGOPNCXIXXHGO-OUAUKWLOSA-N 0 3 243.351 0.397 20 0 BCADHN Cc1nccnc1CN1CC[C@H]([C@@H](C)O)C1 ZINC000621722127 370473288 /nfs/dbraw/zinc/47/32/88/370473288.db2.gz MBFXQRMDDCBICR-MNOVXSKESA-N 0 3 221.304 0.988 20 0 BCADHN Cc1nccnc1CN1CC[C@H](C)[C@H]1CO ZINC000621724198 370475659 /nfs/dbraw/zinc/47/56/59/370475659.db2.gz BNZIZRHQFOTYSH-JOYOIKCWSA-N 0 3 221.304 0.988 20 0 BCADHN CC(=O)N1CC[C@@H](N[C@H]2CCCn3nccc32)C1 ZINC000621773585 370517122 /nfs/dbraw/zinc/51/71/22/370517122.db2.gz UFRAWWRLUPFONV-NEPJUHHUSA-N 0 3 248.330 0.928 20 0 BCADHN CCN(C)S(=O)(=O)CCCN(C)C ZINC000631878340 370565470 /nfs/dbraw/zinc/56/54/70/370565470.db2.gz QGJDHKIWPLPRJP-UHFFFAOYSA-N 0 3 208.327 0.220 20 0 BCADHN CN(C)CCN(C)C(=O)c1cc(F)c[nH]c1=O ZINC000621897835 370587785 /nfs/dbraw/zinc/58/77/85/370587785.db2.gz IJPQPIQZBOPCOX-UHFFFAOYSA-N 0 3 241.266 0.560 20 0 BCADHN CC(C)NC(=O)CCNCc1ccc(=O)[nH]c1 ZINC000631039420 370997826 /nfs/dbraw/zinc/99/78/26/370997826.db2.gz UICQXDBXJCDIPM-UHFFFAOYSA-N 0 3 237.303 0.792 20 0 BCADHN CC[C@H](O)CC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000622615381 371017559 /nfs/dbraw/zinc/01/75/59/371017559.db2.gz OYQUENOOKUFKFZ-WCQYABFASA-N 0 3 240.347 0.702 20 0 BCADHN CC[N@H+](CCCO)Cc1ncccc1[O-] ZINC000568743680 326374580 /nfs/dbraw/zinc/37/45/80/326374580.db2.gz WKTONGQIUZYAPS-UHFFFAOYSA-N 0 3 210.277 0.992 20 0 BCADHN CC[N@@H+](CCCO)Cc1ncccc1[O-] ZINC000568743680 326374581 /nfs/dbraw/zinc/37/45/81/326374581.db2.gz WKTONGQIUZYAPS-UHFFFAOYSA-N 0 3 210.277 0.992 20 0 BCADHN CCCN(C)CC(=O)NCCC1(CO)CC1 ZINC000622652594 371038019 /nfs/dbraw/zinc/03/80/19/371038019.db2.gz RSCRPNHEIDXLRH-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN CC[C@@H](C(=O)NCCC1(CO)CC1)N(C)C ZINC000622652312 371038540 /nfs/dbraw/zinc/03/85/40/371038540.db2.gz JDJNEBVMCPKPRH-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)N1CC[C@@H](N(C)C(=O)c2c[nH]cn2)C1 ZINC000622677230 371053887 /nfs/dbraw/zinc/05/38/87/371053887.db2.gz WSUATRAZEMIHBY-SNVBAGLBSA-N 0 3 236.319 0.964 20 0 BCADHN Cc1cnn(C)c1CNC[C@H]1COCCN1C ZINC000623712815 371067211 /nfs/dbraw/zinc/06/72/11/371067211.db2.gz LYYUNAAOMQAXOH-NSHDSACASA-N 0 3 238.335 0.149 20 0 BCADHN COc1ccc(CNC[C@H]2C[C@@H](O)C2)cn1 ZINC000623749921 371079079 /nfs/dbraw/zinc/07/90/79/371079079.db2.gz UDBJILLGYWIWPW-PHIMTYICSA-N 0 3 222.288 0.951 20 0 BCADHN Cc1ccc(CNCCN2CC[C@@H](O)C2)o1 ZINC000623756796 371083222 /nfs/dbraw/zinc/08/32/22/371083222.db2.gz GGNKGFWIKMRKAG-LLVKDONJSA-N 0 3 224.304 0.744 20 0 BCADHN OC[C@H](CNC[C@H](O)C(F)(F)F)C1CC1 ZINC000568762188 326375835 /nfs/dbraw/zinc/37/58/35/326375835.db2.gz ZVTFIGGNLRYZLO-YUMQZZPRSA-N 0 3 227.226 0.518 20 0 BCADHN Cc1c[nH]c(CNC[C@@H]2CCCN2C)n1 ZINC000623787027 371093658 /nfs/dbraw/zinc/09/36/58/371093658.db2.gz VPENGNHDLWOBJY-JTQLQIEISA-N 0 3 208.309 0.902 20 0 BCADHN C[C@H]1CCC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000623886092 371140279 /nfs/dbraw/zinc/14/02/79/371140279.db2.gz RFQVMGQMLJIBOR-YUMQZZPRSA-N 0 3 236.323 0.357 20 0 BCADHN CO[C@H]1C[C@@H](CNCc2nccn2C)C1 ZINC000623823171 371111623 /nfs/dbraw/zinc/11/16/23/371111623.db2.gz PXDPPRGRCRDFJJ-AOOOYVTPSA-N 0 3 209.293 0.935 20 0 BCADHN CN(CCNCc1cncn1C)CC(F)F ZINC000623831226 371117330 /nfs/dbraw/zinc/11/73/30/371117330.db2.gz ZBNMSRLJEILEID-UHFFFAOYSA-N 0 3 232.278 0.707 20 0 BCADHN O[C@H]1CCN(CCNCc2ccco2)C1 ZINC000623836033 371119854 /nfs/dbraw/zinc/11/98/54/371119854.db2.gz IIMBORVRAMWMQK-JTQLQIEISA-N 0 3 210.277 0.436 20 0 BCADHN O[C@H]1CCN(CCNCc2cncs2)C1 ZINC000623837446 371120022 /nfs/dbraw/zinc/12/00/22/371120022.db2.gz FKSFZDYYQDOCEX-VIFPVBQESA-N 0 3 227.333 0.299 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CCN(C3CCC3)C2=O)CO1 ZINC000623842904 371123763 /nfs/dbraw/zinc/12/37/63/371123763.db2.gz ZGXQKJOAGVLGQE-JFGNBEQYSA-N 0 3 238.331 0.907 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1CCN(C2CCC2)C1=O ZINC000623842084 371124180 /nfs/dbraw/zinc/12/41/80/371124180.db2.gz DMUGFBTVBPMQNI-LLVKDONJSA-N 0 3 248.330 0.961 20 0 BCADHN COC[C@@H](C)N[C@@H]1CCN(C2CCC2)C1=O ZINC000623842573 371124240 /nfs/dbraw/zinc/12/42/40/371124240.db2.gz PXRGXPWHHPSHMB-MWLCHTKSSA-N 0 3 226.320 0.764 20 0 BCADHN CCCN(CC(F)F)c1nc(N)nc(N)n1 ZINC000623911471 371151305 /nfs/dbraw/zinc/15/13/05/371151305.db2.gz BNSBOTPPCRNWTE-UHFFFAOYSA-N 0 3 232.238 0.178 20 0 BCADHN C[C@H](Cn1cncn1)NCc1ccc(=O)[nH]c1 ZINC000631055262 371156554 /nfs/dbraw/zinc/15/65/54/371156554.db2.gz MXSQUZLBKWNCKG-SECBINFHSA-N 0 3 233.275 0.557 20 0 BCADHN Cc1nccn1CCCNC(=O)CNC1CC1 ZINC000569217561 326395341 /nfs/dbraw/zinc/39/53/41/326395341.db2.gz IFFBKIUFTIQQTL-UHFFFAOYSA-N 0 3 236.319 0.450 20 0 BCADHN C[C@H](O)[C@H](C)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000569214006 326395355 /nfs/dbraw/zinc/39/53/55/326395355.db2.gz KMJGTTAOLJWJMD-XPXLGCRWSA-N 0 3 239.319 0.609 20 0 BCADHN O=C(Cc1cc[nH]n1)N[C@@H]1CCN(CC2CC2)C1 ZINC000124287488 371180788 /nfs/dbraw/zinc/18/07/88/371180788.db2.gz TYENCAUQZUQXCZ-GFCCVEGCSA-N 0 3 248.330 0.553 20 0 BCADHN O=c1ccc(CN[C@H]2CCCNC2=O)c[nH]1 ZINC000631057392 371183671 /nfs/dbraw/zinc/18/36/71/371183671.db2.gz XEXARZDCTIBPDZ-VIFPVBQESA-N 0 3 221.260 0.155 20 0 BCADHN CCO[C@H](C(=O)NC[C@H](C)N(C)C)C1CC1 ZINC000623975933 371210963 /nfs/dbraw/zinc/21/09/63/371210963.db2.gz TZOPSLVWEPIOCJ-ONGXEEELSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H]1[C@H](C)SCCN1c1nc(N)nc(N)n1 ZINC000623981591 371214202 /nfs/dbraw/zinc/21/42/02/371214202.db2.gz KLKPQRBDYLJDGW-RITPCOANSA-N 0 3 240.336 0.027 20 0 BCADHN CC[C@H]1CCC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000623989247 371222521 /nfs/dbraw/zinc/22/25/21/371222521.db2.gz PLHRXUSFXPHPBB-JGVFFNPUSA-N 0 3 236.323 0.499 20 0 BCADHN C[C@@H]1CN(c2nc(N)nc(N)n2)C[C@@H](C)S1 ZINC000624003057 371239565 /nfs/dbraw/zinc/23/95/65/371239565.db2.gz NDVOOVCDXBLYIK-PHDIDXHHSA-N 0 3 240.336 0.027 20 0 BCADHN CC[C@H]1C[C@@H](C)CN1c1nc(N)nc(N)n1 ZINC000624011769 371248209 /nfs/dbraw/zinc/24/82/09/371248209.db2.gz IQIXUIIKFORELT-RQJHMYQMSA-N 0 3 222.296 0.322 20 0 BCADHN CC[C@H](C(=O)NCc1ccc[nH]1)N(C)C ZINC000163838727 326405717 /nfs/dbraw/zinc/40/57/17/326405717.db2.gz GQAZDCGXJKBAEE-SNVBAGLBSA-N 0 3 209.293 0.971 20 0 BCADHN CC[C@@]1(C)CCN(c2nc(N)nc(N)n2)C1 ZINC000624033385 371261594 /nfs/dbraw/zinc/26/15/94/371261594.db2.gz DKHDUUJERKINRU-JTQLQIEISA-N 0 3 222.296 0.323 20 0 BCADHN COCCC[C@H](C)N[C@H](CO)c1ccnn1C ZINC000624020467 371253240 /nfs/dbraw/zinc/25/32/40/371253240.db2.gz OKCIXUFKYBRQTF-WDEREUQCSA-N 0 3 241.335 0.858 20 0 BCADHN COC(C)(C)[C@@H](C)N[C@H](CO)c1ccnn1C ZINC000624021375 371255227 /nfs/dbraw/zinc/25/52/27/371255227.db2.gz JISIIJKCEKRFLW-NXEZZACHSA-N 0 3 241.335 0.857 20 0 BCADHN CN[C@@H](C)C(=O)NCCC1(COC)CC1 ZINC000572780598 326410522 /nfs/dbraw/zinc/41/05/22/326410522.db2.gz PQVUZYAMOPLYCB-VIFPVBQESA-N 0 3 214.309 0.527 20 0 BCADHN Nc1nc(N)nc(N2CCCC23CCCCC3)n1 ZINC000624069365 371290189 /nfs/dbraw/zinc/29/01/89/371290189.db2.gz NUMKEVZSYXYRDW-UHFFFAOYSA-N 0 3 248.334 1.000 20 0 BCADHN NC(C(=O)NCCc1ccccn1)C(F)(F)F ZINC000353054509 181604762 /nfs/dbraw/zinc/60/47/62/181604762.db2.gz XTQQXIPATRAAMO-MRVPVSSYSA-N 0 3 247.220 0.630 20 0 BCADHN CN(C[C@H]1CC=CCC1)c1nc(N)nc(N)n1 ZINC000624098233 371304642 /nfs/dbraw/zinc/30/46/42/371304642.db2.gz TXXYMEBEDWILHV-QMMMGPOBSA-N 0 3 234.307 0.489 20 0 BCADHN COC[C@H](CCO)NCc1ccc(=O)[nH]c1 ZINC000631075952 371361264 /nfs/dbraw/zinc/36/12/64/371361264.db2.gz IYMYHSIIRPGWQG-JTQLQIEISA-N 0 3 226.276 0.274 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1C)c1cnn(C)c1 ZINC000624174043 371365026 /nfs/dbraw/zinc/36/50/26/371365026.db2.gz QCKDEWRGOSVARK-CMPLNLGQSA-N 0 3 238.335 0.401 20 0 BCADHN Cc1cc([C@H](C)N[C@H]2C[C@H](C(N)=O)C2)nn1C ZINC000624132446 371335157 /nfs/dbraw/zinc/33/51/57/371335157.db2.gz POEFAIRTHFSXJL-GUBZILKMSA-N 0 3 236.319 0.643 20 0 BCADHN Cc1cc([C@@H](C)N[C@H]2C[C@H](C(N)=O)C2)nn1C ZINC000624132447 371335280 /nfs/dbraw/zinc/33/52/80/371335280.db2.gz POEFAIRTHFSXJL-OPRDCNLKSA-N 0 3 236.319 0.643 20 0 BCADHN C[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1ccnn1C ZINC000624132606 371335356 /nfs/dbraw/zinc/33/53/56/371335356.db2.gz UKUNWCQMWQFYAS-CIUDSAMLSA-N 0 3 222.292 0.335 20 0 BCADHN NC(=O)[C@H]1C[C@H](N[C@@H]2CCCn3nccc32)C1 ZINC000624133844 371336501 /nfs/dbraw/zinc/33/65/01/371336501.db2.gz YERVIPYPQIGWLK-OPRDCNLKSA-N 0 3 234.303 0.572 20 0 BCADHN CC(C)[C@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000624143282 371338980 /nfs/dbraw/zinc/33/89/80/371338980.db2.gz DIVFECLHIPGFQT-QMMMGPOBSA-N 0 3 236.323 0.569 20 0 BCADHN CNC(=O)C1CCC(NCc2cn[nH]c2)CC1 ZINC000624217319 371405222 /nfs/dbraw/zinc/40/52/22/371405222.db2.gz MKVYOXHLZLPPPA-UHFFFAOYSA-N 0 3 236.319 0.804 20 0 BCADHN C[C@@H](NCCN1CC[C@@H](O)C1)c1cnn(C)c1 ZINC000624226995 371414784 /nfs/dbraw/zinc/41/47/84/371414784.db2.gz CVABRTMPMZACAI-ZYHUDNBSSA-N 0 3 238.335 0.137 20 0 BCADHN C[C@H](NCCN1CC[C@@H](O)C1)c1ccncn1 ZINC000624230793 371418870 /nfs/dbraw/zinc/41/88/70/371418870.db2.gz HDSHJVRFYLHQMX-WDEREUQCSA-N 0 3 236.319 0.194 20 0 BCADHN CN(CCC(C)(C)C)c1nc(N)nc(N)n1 ZINC000624329820 371483835 /nfs/dbraw/zinc/48/38/35/371483835.db2.gz IAIVNZPXSSLLHU-UHFFFAOYSA-N 0 3 224.312 0.569 20 0 BCADHN CCCC[C@](C)(CO)Nc1nc(N)nc(N)n1 ZINC000624329787 371484393 /nfs/dbraw/zinc/48/43/93/371484393.db2.gz HKFAENXXELVCRL-SNVBAGLBSA-N 0 3 240.311 0.050 20 0 BCADHN COCCc1ncc(CN[C@@H](C)CO)s1 ZINC000631078420 371432742 /nfs/dbraw/zinc/43/27/42/371432742.db2.gz CCKANNQZZGLFTP-QMMMGPOBSA-N 0 3 230.333 0.802 20 0 BCADHN C[C@H](NCCN1CC[C@H](O)C1)c1ccn(C)n1 ZINC000624340156 371489364 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CCCN(C)CC(=O)NCCC(=O)NC(C)C ZINC000358610576 169069556 /nfs/dbraw/zinc/06/95/56/169069556.db2.gz MNYAWGIAWYBZDB-UHFFFAOYSA-N 0 3 243.351 0.359 20 0 BCADHN CCCN(C)CC(=O)NCCC[C@@H](C)CO ZINC000340412957 169069934 /nfs/dbraw/zinc/06/99/34/169069934.db2.gz XQTNAUURKXQPKR-LLVKDONJSA-N 0 3 230.352 0.853 20 0 BCADHN CCCN(C)CC(=O)NC(C)(C)[C@@H](C)O ZINC000332470290 169070246 /nfs/dbraw/zinc/07/02/46/169070246.db2.gz LJZBRHRVVVRGAC-SECBINFHSA-N 0 3 216.325 0.604 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](O)C1CC1 ZINC000337597823 169070448 /nfs/dbraw/zinc/07/04/48/169070448.db2.gz BVCSKBZQRWINRI-SNVBAGLBSA-N 0 3 214.309 0.215 20 0 BCADHN CCCN(C)CC(=O)NCCn1ccnc1C ZINC000359273630 169071079 /nfs/dbraw/zinc/07/10/79/169071079.db2.gz CGNPTRCXNXNHHJ-UHFFFAOYSA-N 0 3 238.335 0.650 20 0 BCADHN CCCN(C)CC(=O)NCCc1nnc(C)[nH]1 ZINC000354495830 169071374 /nfs/dbraw/zinc/07/13/74/169071374.db2.gz HVJLQDDHAHIAMK-UHFFFAOYSA-N 0 3 239.323 0.114 20 0 BCADHN CCCN(C)CC(=O)NCC(C)(C)OC ZINC000361836033 169071647 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BCADHN CCCN(C)CC(=O)N(C)[C@H](C)CO ZINC000338692654 169064313 /nfs/dbraw/zinc/06/43/13/169064313.db2.gz IWPJLOOMFSTBPR-SECBINFHSA-N 0 3 202.298 0.167 20 0 BCADHN CCCN(C)CC(=O)N1CCC(C(N)=O)CC1 ZINC000063761672 169064875 /nfs/dbraw/zinc/06/48/75/169064875.db2.gz IKHYYQVRIORGEE-UHFFFAOYSA-N 0 3 241.335 0.052 20 0 BCADHN CCCN(C)CC(=O)N(CC)[C@@H](C)CO ZINC000358831880 169066060 /nfs/dbraw/zinc/06/60/60/169066060.db2.gz MGLUUHKMKYFGEG-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](O)C1(C)C ZINC000361181056 169067194 /nfs/dbraw/zinc/06/71/94/169067194.db2.gz WIYVGIGRQGTIFY-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN O[C@@]1(Cn2ccnn2)CCCN(CCCF)C1 ZINC000330541946 183218360 /nfs/dbraw/zinc/21/83/60/183218360.db2.gz WREQRFLYJWUOAY-NSHDSACASA-N 0 3 242.298 0.465 20 0 BCADHN O[C@H](CCNCc1cncnc1)C(F)(F)F ZINC000309582573 183219002 /nfs/dbraw/zinc/21/90/02/183219002.db2.gz QVXVCWXEPLSPQP-MRVPVSSYSA-N 0 3 235.209 0.880 20 0 BCADHN O[C@H](CN1CC[C@@H](O)C1)c1ccccc1 ZINC000078746612 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NXWVTQMUSDATSX-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN CCCN(CC)CCN1CCCS1(=O)=O ZINC000336646961 169121877 /nfs/dbraw/zinc/12/18/77/169121877.db2.gz LNWJGKGTTPRBJS-UHFFFAOYSA-N 0 3 234.365 0.754 20 0 BCADHN O[C@]1(Cn2ccnn2)CCCN(CCCF)C1 ZINC000330541945 183251385 /nfs/dbraw/zinc/25/13/85/183251385.db2.gz WREQRFLYJWUOAY-LLVKDONJSA-N 0 3 242.298 0.465 20 0 BCADHN O[C@H]1CCC[C@H]1N1CCN(CC2CC2)CC1 ZINC000042490925 183237750 /nfs/dbraw/zinc/23/77/50/183237750.db2.gz XKZCZZUBJCARPM-OLZOCXBDSA-N 0 3 224.348 0.927 20 0 BCADHN CCCN(CC1CC1)[C@H]1CC(=O)N(C)C1=O ZINC000338326611 169138123 /nfs/dbraw/zinc/13/81/23/169138123.db2.gz LPCOCCGSIGXZOI-JTQLQIEISA-N 0 3 224.304 0.866 20 0 BCADHN CCCN(CCC)[C@H](C)C(=O)NC(N)=O ZINC000332520840 169152761 /nfs/dbraw/zinc/15/27/61/169152761.db2.gz RNPBRTYZLSFSKL-MRVPVSSYSA-N 0 3 215.297 0.692 20 0 BCADHN CCCN(CCN(C)C)C(=O)CCOC ZINC000339815689 169155904 /nfs/dbraw/zinc/15/59/04/169155904.db2.gz VAVDFIGLVSTOTE-UHFFFAOYSA-N 0 3 216.325 0.823 20 0 BCADHN Oc1cccc(CNCCc2nnc[nH]2)c1 ZINC000070646178 183290315 /nfs/dbraw/zinc/29/03/15/183290315.db2.gz UZCYRQQKVHDYOK-UHFFFAOYSA-N 0 3 218.260 0.843 20 0 BCADHN CCCN(CCN(CC)CC)CC(N)=O ZINC000122556009 169157730 /nfs/dbraw/zinc/15/77/30/169157730.db2.gz JJSUSCLXUXLGGE-UHFFFAOYSA-N 0 3 215.341 0.526 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1ncn(C)n1 ZINC000355233835 169157878 /nfs/dbraw/zinc/15/78/78/169157878.db2.gz SQYVJWQTEPCEPD-UHFFFAOYSA-N 0 3 239.323 0.229 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@@](C)(O)C1CC1 ZINC000341918198 169158019 /nfs/dbraw/zinc/15/80/19/169158019.db2.gz NZHPCIALVBVNRY-ZDUSSCGKSA-N 0 3 242.363 0.948 20 0 BCADHN CCCN(CCN1CCCCC1)CC(N)=O ZINC000353169952 169159019 /nfs/dbraw/zinc/15/90/19/169159019.db2.gz PRIHFNSESZZQQK-UHFFFAOYSA-N 0 3 227.352 0.670 20 0 BCADHN CCCN(CCO)Cc1cnc(N(C)C)nc1 ZINC000271046141 169166829 /nfs/dbraw/zinc/16/68/29/169166829.db2.gz QXZHUFORMXZRMG-UHFFFAOYSA-N 0 3 238.335 0.747 20 0 BCADHN CCCN1CCCN(C(=O)C(C)(C)O)CC1 ZINC000373781490 169191517 /nfs/dbraw/zinc/19/15/17/169191517.db2.gz RULXAALVNKSQPI-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN CCCN1CCCN(C(=O)[C@H](C)OC)CC1 ZINC000363210428 169193065 /nfs/dbraw/zinc/19/30/65/169193065.db2.gz JVROLKFTYLUEBI-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCCN1CCCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000112410011 169193143 /nfs/dbraw/zinc/19/31/43/169193143.db2.gz PEDDGDBFENYFFF-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CCCN1CCCN(CC(=O)N(C)C)CC1 ZINC000361616533 169193469 /nfs/dbraw/zinc/19/34/69/169193469.db2.gz ZQKGZUUZOFGSPV-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN CCCN1CCCN(C(=O)NCCOC)CC1 ZINC000118894506 169193852 /nfs/dbraw/zinc/19/38/52/169193852.db2.gz UAPGJONRIRNYOH-UHFFFAOYSA-N 0 3 243.351 0.760 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@H](C)CC(N)=O ZINC000362362023 169195032 /nfs/dbraw/zinc/19/50/32/169195032.db2.gz OLFZRVGMHWQXEZ-NXEZZACHSA-N 0 3 241.335 0.241 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N(CC)CCO ZINC000339422902 169195064 /nfs/dbraw/zinc/19/50/64/169195064.db2.gz JHKRXOGDRCUFAY-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN CCCN1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000363537043 169195455 /nfs/dbraw/zinc/19/54/55/169195455.db2.gz USVMVPVRUYRBOA-SECBINFHSA-N 0 3 220.338 0.410 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NCC(=O)OCC ZINC000355535675 169195856 /nfs/dbraw/zinc/19/58/56/169195856.db2.gz SKDUAXYSPDKTSM-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN CCCN1CCC[C@@H]1CNC(=O)N(C)CCO ZINC000358299783 169196889 /nfs/dbraw/zinc/19/68/89/169196889.db2.gz TWSTZUWSUMMVRB-LLVKDONJSA-N 0 3 243.351 0.495 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@H](CC)CO ZINC000330689157 169196925 /nfs/dbraw/zinc/19/69/25/169196925.db2.gz PAKLMVXMDDTXCB-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N(CC)CCO ZINC000339422904 169198457 /nfs/dbraw/zinc/19/84/57/169198457.db2.gz JHKRXOGDRCUFAY-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N(C)CC(N)=O ZINC000330690318 169198790 /nfs/dbraw/zinc/19/87/90/169198790.db2.gz FRCNWBVDVARKFI-VIFPVBQESA-N 0 3 227.308 0.854 20 0 BCADHN CCCN1CCC[C@H]1CS(=O)(=O)NC ZINC000336676490 169199550 /nfs/dbraw/zinc/19/95/50/169199550.db2.gz YDXHKXDFVKLGDL-VIFPVBQESA-N 0 3 220.338 0.410 20 0 BCADHN CCCN1CCC[C@H]1CNC(=O)C1(O)CCC1 ZINC000331922802 169199624 /nfs/dbraw/zinc/19/96/24/169199624.db2.gz FDMLXXRHRUIJFI-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN CCCN1CCC[C@H]1CNCc1cn(C)nn1 ZINC000353124608 169200150 /nfs/dbraw/zinc/20/01/50/169200150.db2.gz ZAZKXOPUYYJBLF-LBPRGKRZSA-N 0 3 237.351 0.779 20 0 BCADHN CCCN1CCN(C[C@@H](O)CC)CC1 ZINC000037693779 169202784 /nfs/dbraw/zinc/20/27/84/169202784.db2.gz LBGRUJYZETWURD-NSHDSACASA-N 0 3 200.326 0.785 20 0 BCADHN CCCN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000037489588 169202833 /nfs/dbraw/zinc/20/28/33/169202833.db2.gz JKBDQVCLQZCDSR-NEPJUHHUSA-N 0 3 212.337 0.927 20 0 BCADHN CCCN1CCN(CC(C)(C)O)CC1 ZINC000037693780 169202838 /nfs/dbraw/zinc/20/28/38/169202838.db2.gz AJQCAIHAYVFDST-UHFFFAOYSA-N 0 3 200.326 0.785 20 0 BCADHN CCCNC(=O)CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228111582 169223579 /nfs/dbraw/zinc/22/35/79/169223579.db2.gz UCZWCRZQKHIMHN-HBNTYKKESA-N 0 3 226.320 0.215 20 0 BCADHN CCCNC(=O)CNC(=O)[C@](C)(N)CCC ZINC000037481420 169226091 /nfs/dbraw/zinc/22/60/91/169226091.db2.gz XYTOVZJHOKOTBJ-LLVKDONJSA-N 0 3 229.324 0.146 20 0 BCADHN CCCNC(=O)CN[C@@H](C)[C@@H]1CCCO1 ZINC000035735863 169226957 /nfs/dbraw/zinc/22/69/57/169226957.db2.gz BOHANRNRGNEFEC-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN c1cc(CN2CCC[C@H](c3nc[nH]n3)C2)n[nH]1 ZINC000371330040 183341488 /nfs/dbraw/zinc/34/14/88/183341488.db2.gz AGFLRUSSYWDVCB-VIFPVBQESA-N 0 3 232.291 0.907 20 0 BCADHN CCCNC(=O)CN[C@H]1CCC[C@H]1C(=O)NC ZINC000330593185 169229726 /nfs/dbraw/zinc/22/97/26/169229726.db2.gz YVJJCEWUFVXQRM-ZJUUUORDSA-N 0 3 241.335 0.017 20 0 BCADHN CCCN1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375503398 169210090 /nfs/dbraw/zinc/21/00/90/169210090.db2.gz UBROESPSTCFSJK-RNFRBKRXSA-N 0 3 224.226 0.992 20 0 BCADHN CCCNC(=O)CCC(=O)N[C@@H](C)CN(C)C ZINC000346234204 169215001 /nfs/dbraw/zinc/21/50/01/169215001.db2.gz VZHHLGRBDAJWBS-JTQLQIEISA-N 0 3 243.351 0.359 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@@H](N)CCC ZINC000045088677 169216455 /nfs/dbraw/zinc/21/64/55/169216455.db2.gz UWXCKROJNZQKBK-VIFPVBQESA-N 0 3 229.324 0.146 20 0 BCADHN CCCNC(=O)CN(CCC)C(=O)[C@H](C)NC ZINC000054075322 169219782 /nfs/dbraw/zinc/21/97/82/169219782.db2.gz TVQCUUUMPGYKDQ-JTQLQIEISA-N 0 3 243.351 0.359 20 0 BCADHN CCCNC(=O)NC(=O)CN(C)CC1CCC1 ZINC000111297728 169235462 /nfs/dbraw/zinc/23/54/62/169235462.db2.gz TZAQZYMPSDBNGF-UHFFFAOYSA-N 0 3 241.335 0.954 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CCC[C@@H](O)CC1 ZINC000331850164 169241599 /nfs/dbraw/zinc/24/15/99/169241599.db2.gz IIMJVRXGMMXVPM-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN c1cc(NCCN2CCCCC2)nn2nnnc12 ZINC000060379941 183378410 /nfs/dbraw/zinc/37/84/10/183378410.db2.gz FVQHYQMJAKDMCG-UHFFFAOYSA-N 0 3 247.306 0.417 20 0 BCADHN CCCNC(=O)[C@H](C)N(C)CCN1CCCC1 ZINC000118888230 169245252 /nfs/dbraw/zinc/24/52/52/169245252.db2.gz CROSHYZTZQLDSO-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@@](O)(C2CC2)C1 ZINC000373240505 169245722 /nfs/dbraw/zinc/24/57/22/169245722.db2.gz DEDSOMOTMKUVCY-GWCFXTLKSA-N 0 3 240.347 0.748 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@@H]([C@@H](C)O)C1 ZINC000226480804 169246377 /nfs/dbraw/zinc/24/63/77/169246377.db2.gz QHYNENSGEUPBDP-HBNTYKKESA-N 0 3 228.336 0.604 20 0 BCADHN CCCOCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000227355565 169304191 /nfs/dbraw/zinc/30/41/91/169304191.db2.gz KBDKULKNSYADEL-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@]1(F)CCNC1 ZINC000366329849 169297340 /nfs/dbraw/zinc/29/73/40/169297340.db2.gz AMQHWYUZRWOYHH-NSHDSACASA-N 0 3 246.282 0.148 20 0 BCADHN CCC[C@@H](C(=O)N[C@H](C)CC(=O)OC)N(C)C ZINC000337943592 169344808 /nfs/dbraw/zinc/34/48/08/169344808.db2.gz GXBSGIABSATKIP-ZJUUUORDSA-N 0 3 244.335 0.785 20 0 BCADHN CCC[C@@H](C(=O)N(CC)C[C@H](C)O)N(C)C ZINC000341376451 169342606 /nfs/dbraw/zinc/34/26/06/169342606.db2.gz ACVOBHPGZKLNFN-QWRGUYRKSA-N 0 3 230.352 0.946 20 0 BCADHN CCC[C@@H](C(=O)NCC(C)(C)O)N(C)C ZINC000162364078 169343566 /nfs/dbraw/zinc/34/35/66/169343566.db2.gz HMVLHDYKDHSUSW-VIFPVBQESA-N 0 3 216.325 0.604 20 0 BCADHN CCCS(=O)(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000371506237 169331538 /nfs/dbraw/zinc/33/15/38/169331538.db2.gz PRIBISDJPBYMSQ-QWRGUYRKSA-N 0 3 246.376 0.752 20 0 BCADHN CCCSCC(=O)N1CCCNCC1 ZINC000043402943 169335985 /nfs/dbraw/zinc/33/59/85/169335985.db2.gz WEKWSNXHGWGILG-UHFFFAOYSA-N 0 3 216.350 0.952 20 0 BCADHN CCC[C@@H](C)N(C)CC(=O)N1CCN(C)CC1 ZINC000357305729 169364385 /nfs/dbraw/zinc/36/43/85/169364385.db2.gz KSJBQSBAVKFFDP-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CCC[C@@H](C)N1CCN(CC(=O)OC)CC1 ZINC000337425190 169367489 /nfs/dbraw/zinc/36/74/89/169367489.db2.gz RWNZSFUTEZJIBI-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCC[C@@H](C)NC(=O)[C@H](C)N1CCNCC1 ZINC000034939719 169368856 /nfs/dbraw/zinc/36/88/56/169368856.db2.gz VWKFYHTWPDJAFU-MNOVXSKESA-N 0 3 227.352 0.585 20 0 BCADHN CCC[C@@H](C)CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358054705 169355837 /nfs/dbraw/zinc/35/58/37/169355837.db2.gz KXZQAYWWWLGUJP-YPMHNXCESA-N 0 3 242.363 0.996 20 0 BCADHN CCC[C@@H](C)CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358054702 169356124 /nfs/dbraw/zinc/35/61/24/169356124.db2.gz KXZQAYWWWLGUJP-DGCLKSJQSA-N 0 3 242.363 0.996 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCCC[C@@H]1C(=O)NC ZINC000037810826 169387824 /nfs/dbraw/zinc/38/78/24/169387824.db2.gz HINLMOSUCXBJJM-NXEZZACHSA-N 0 3 241.335 0.241 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCCO[C@@H](C)C1 ZINC000061920413 169388038 /nfs/dbraw/zinc/38/80/38/169388038.db2.gz JLVMXEAJIITUJU-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)C[C@@H]1CCCO1 ZINC000042465877 169387079 /nfs/dbraw/zinc/38/70/79/169387079.db2.gz SQLNGZIBPCXHLB-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000036873395 169388478 /nfs/dbraw/zinc/38/84/78/169388478.db2.gz IXFYQSHRLOHOCU-ZJUUUORDSA-N 0 3 241.335 0.193 20 0 BCADHN CCC[C@@H](N)C(=O)NCC1(C(N)=O)CCCC1 ZINC000353664054 169388995 /nfs/dbraw/zinc/38/89/95/169388995.db2.gz NOLKQJAXETTXNW-SECBINFHSA-N 0 3 241.335 0.276 20 0 BCADHN CCC[C@@H](N)C(=O)NCCc1cnn(C)c1 ZINC000087765806 169389051 /nfs/dbraw/zinc/38/90/51/169389051.db2.gz CPXXTFBLUHRYPO-SNVBAGLBSA-N 0 3 224.308 0.206 20 0 BCADHN CCC[C@@H](N)C(=O)NC[C@@H]1CCCCO1 ZINC000042823842 169389371 /nfs/dbraw/zinc/38/93/71/169389371.db2.gz ZOIFJMZKHBVCCR-VHSXEESVSA-N 0 3 214.309 0.799 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H](C)c1nc(C)no1 ZINC000353571506 169390511 /nfs/dbraw/zinc/39/05/11/169390511.db2.gz ZKXADGLCIKHTJM-POYBYMJQSA-N 0 3 226.280 0.683 20 0 BCADHN CCC[C@@H](N)C(=O)NCc1cccnc1 ZINC000036873059 169390546 /nfs/dbraw/zinc/39/05/46/169390546.db2.gz MAYPEMCTPKMVMQ-SNVBAGLBSA-N 0 3 207.277 0.825 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726822 169390563 /nfs/dbraw/zinc/39/05/63/169390563.db2.gz VIUWAHVYCOLJPD-MWLCHTKSSA-N 0 3 225.336 0.467 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H](C)c1ncon1 ZINC000336728745 169390567 /nfs/dbraw/zinc/39/05/67/169390567.db2.gz CQKVTNHICWWDOK-NKWVEPMBSA-N 0 3 212.253 0.374 20 0 BCADHN COC[C@@H]1CN([C@@H]2CCCC[C@@H]2O)CCO1 ZINC000179283056 134318821 /nfs/dbraw/zinc/31/88/21/134318821.db2.gz SAEIHUWOUJOBJV-TUAOUCFPSA-N 0 3 229.320 0.637 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1cnn(CCOC)c1 ZINC000037043740 169392248 /nfs/dbraw/zinc/39/22/48/169392248.db2.gz FLBDOBPRHKBJEK-SNVBAGLBSA-N 0 3 240.307 0.595 20 0 BCADHN CCC[C@@H](NC(C)C)C(=O)N(CC)CC(N)=O ZINC000357120771 169398055 /nfs/dbraw/zinc/39/80/55/169398055.db2.gz LSGNLVIWNQKJQX-SNVBAGLBSA-N 0 3 243.351 0.487 20 0 BCADHN CCC[C@@H](NC(C)C)C(=O)Nc1ncn(C)n1 ZINC000356439401 169399094 /nfs/dbraw/zinc/39/90/94/169399094.db2.gz VPVCEJWZRVUMQZ-SECBINFHSA-N 0 3 239.323 0.920 20 0 BCADHN CCC[C@@H](O)CNC(=O)C[C@@H]1CSCCN1 ZINC000132916569 169405621 /nfs/dbraw/zinc/40/56/21/169405621.db2.gz AQIXEYOTNMFQOE-NXEZZACHSA-N 0 3 246.376 0.359 20 0 BCADHN Cc1c(CN2CC[C@@H](CO)C2)cnn1C ZINC000223737590 134339328 /nfs/dbraw/zinc/33/93/28/134339328.db2.gz DRESOTBAAWHKFD-SNVBAGLBSA-N 0 3 209.293 0.543 20 0 BCADHN c1ncc(CNC[C@@H]2CCCOC2)cn1 ZINC000054768031 183545709 /nfs/dbraw/zinc/54/57/09/183545709.db2.gz QSBUTUSKYWSNSN-JTQLQIEISA-N 0 3 207.277 0.993 20 0 BCADHN CCC[C@H](C(=O)N[C@@H](C)c1ncon1)N(C)C ZINC000272203656 169466343 /nfs/dbraw/zinc/46/63/43/169466343.db2.gz QDTGOOHEGGIYQR-DTWKUNHWSA-N 0 3 240.307 0.977 20 0 BCADHN CC[C@@H](N)C(=O)N(C)Cc1cnn(C)c1 ZINC000037800768 170861614 /nfs/dbraw/zinc/86/16/14/170861614.db2.gz XHJBUDKYYPUNRS-SECBINFHSA-N 0 3 210.281 0.116 20 0 BCADHN CCC[C@H](N)C(=O)NCc1ncoc1C ZINC000158068927 169501855 /nfs/dbraw/zinc/50/18/55/169501855.db2.gz WXKWKDNCYCLUIE-QMMMGPOBSA-N 0 3 211.265 0.727 20 0 BCADHN CCC[C@H](NC(C)C)C(=O)N[C@H](C)C(N)=O ZINC000309467866 169509187 /nfs/dbraw/zinc/50/91/87/169509187.db2.gz PYQXGSWDFWKMNC-BDAKNGLRSA-N 0 3 229.324 0.143 20 0 BCADHN CC[C@@H]1CCN(C(=O)[C@H](CN)OC)C1 ZINC000227402747 171006047 /nfs/dbraw/zinc/00/60/47/171006047.db2.gz KPDUVCBXLOZDHZ-BDAKNGLRSA-N 0 3 200.282 0.219 20 0 BCADHN CCC[C@](C)(O)CN[C@H](C)c1ccc(=O)[nH]n1 ZINC000286144033 169554489 /nfs/dbraw/zinc/55/44/89/169554489.db2.gz PAZIONAONCGPFK-SKDRFNHKSA-N 0 3 239.319 0.972 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N1CC[C@@H](CO)C1 ZINC000225971722 535460319 /nfs/dbraw/zinc/46/03/19/535460319.db2.gz JBHUHXJNRJWMGT-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@H](O)C(F)(F)F ZINC000225392313 134354827 /nfs/dbraw/zinc/35/48/27/134354827.db2.gz ZCCUNUXQYVLUOQ-NTSWFWBYSA-N 0 3 228.214 0.009 20 0 BCADHN COC[C@@H](C)CNC(=O)NC[C@@H]1CCCN1C ZINC000194690039 259625689 /nfs/dbraw/zinc/62/56/89/259625689.db2.gz NBWSEJFVIHHVDC-QWRGUYRKSA-N 0 3 243.351 0.662 20 0 BCADHN CC[C@@H]1CN(CCCC(=O)OC)C[C@@H]1O ZINC000341005462 171078448 /nfs/dbraw/zinc/07/84/48/171078448.db2.gz FIIBNWCKOJROCU-ZJUUUORDSA-N 0 3 215.293 0.642 20 0 BCADHN OC[C@@H]1CCCN1CCO[C@@H]1CCCCO1 ZINC000085396986 134360658 /nfs/dbraw/zinc/36/06/58/134360658.db2.gz MTTIAWZLKLYOMC-NWDGAFQWSA-N 0 3 229.320 0.986 20 0 BCADHN CC[C@@H]1CO[C@H](C)CN1C(=O)[C@@H](C)N ZINC000036135110 171111884 /nfs/dbraw/zinc/11/18/84/171111884.db2.gz QZTYWBBUVQPRQC-IWSPIJDZSA-N 0 3 200.282 0.360 20 0 BCADHN CNC(=O)C(C)(C)CNC(=O)[C@H](N)CC(C)C ZINC000226691785 134368379 /nfs/dbraw/zinc/36/83/79/134368379.db2.gz HZZMAUBSSXBBHZ-SECBINFHSA-N 0 3 243.351 0.248 20 0 BCADHN Cc1c(CNC(=O)[C@@H](N)CC(C)C)cnn1C ZINC000226697556 134368576 /nfs/dbraw/zinc/36/85/76/134368576.db2.gz IGWZECOWLHFSKK-NSHDSACASA-N 0 3 238.335 0.718 20 0 BCADHN C[C@@H]1CN(C)CCN1CCC(C)(C)O ZINC000226754519 134370832 /nfs/dbraw/zinc/37/08/32/134370832.db2.gz AIIVUYOPUYWBCL-SNVBAGLBSA-N 0 3 200.326 0.783 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)CCCCCO ZINC000227114470 134372778 /nfs/dbraw/zinc/37/27/78/134372778.db2.gz QKMLKDQTYNGLQI-SNVBAGLBSA-N 0 3 216.325 0.558 20 0 BCADHN C[C@H](C(=O)NC1CC1)N(C)CCCCCO ZINC000227113493 134372844 /nfs/dbraw/zinc/37/28/44/134372844.db2.gz ZUFBOBPYHMLSQK-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N(C)CCCCCO ZINC000227113489 134372869 /nfs/dbraw/zinc/37/28/69/134372869.db2.gz ZUFBOBPYHMLSQK-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)N(C)C(=O)CN1CC[C@@H](C)[C@@H]1CO ZINC000227193806 134375220 /nfs/dbraw/zinc/37/52/20/134375220.db2.gz GDERVOZARBWIIW-MNOVXSKESA-N 0 3 228.336 0.556 20 0 BCADHN COC[C@H](C)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000493855061 532989971 /nfs/dbraw/zinc/98/99/71/532989971.db2.gz VYRCBUNIQFBKFW-AEJSXWLSSA-N 0 3 228.292 0.452 20 0 BCADHN CCCOCC(=O)N1C[C@H](C)NC[C@H]1C ZINC000227355571 134378552 /nfs/dbraw/zinc/37/85/52/134378552.db2.gz KBDKULKNSYADEL-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CO[C@@H](CN)C(=O)N(CC(C)C)C(C)C ZINC000227365335 134378610 /nfs/dbraw/zinc/37/86/10/134378610.db2.gz HMWIJYSQGVVFAK-JTQLQIEISA-N 0 3 216.325 0.853 20 0 BCADHN OC[C@H]1CCN(CCN2CCCCC2)C[C@H]1O ZINC000558168036 383825178 /nfs/dbraw/zinc/82/51/78/383825178.db2.gz ZFDAOBUNUFCHDF-CHWSQXEVSA-N 0 3 242.363 0.147 20 0 BCADHN CC[C@@H](C)NC(=O)CN[C@@H]1COCC1(C)C ZINC000313067990 383826286 /nfs/dbraw/zinc/82/62/86/383826286.db2.gz QYNYWJVQLVYCLW-NXEZZACHSA-N 0 3 228.336 0.916 20 0 BCADHN CCN(C)CCNC(=O)c1ccc(F)nc1 ZINC000069632912 383838593 /nfs/dbraw/zinc/83/85/93/383838593.db2.gz JRVATWJILGLKSD-UHFFFAOYSA-N 0 3 225.267 0.902 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@H](CN)c1ccccc1 ZINC000223722782 383846226 /nfs/dbraw/zinc/84/62/26/383846226.db2.gz JPHRPISYUOQWRE-CMPLNLGQSA-N 0 3 236.315 0.880 20 0 BCADHN CC[C@@H](C)CN(C)CCNS(=O)(=O)CC ZINC000111253075 383847830 /nfs/dbraw/zinc/84/78/30/383847830.db2.gz MOHZJPIKZRXIGG-SNVBAGLBSA-N 0 3 236.381 0.904 20 0 BCADHN CC1(C)CN(C(=O)c2cncc([O-])c2)CC[NH2+]1 ZINC000396056014 383858309 /nfs/dbraw/zinc/85/83/09/383858309.db2.gz FSLABFWKSDZXPU-UHFFFAOYSA-N 0 3 235.287 0.611 20 0 BCADHN NC1(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000088129675 383881474 /nfs/dbraw/zinc/88/14/74/383881474.db2.gz PTAPWRSYLAQOJC-UHFFFAOYSA-N 0 3 245.326 0.827 20 0 BCADHN CC[C@H](N)C(=O)N1CCCC[C@@H]1C(=O)OC ZINC000037804404 383859640 /nfs/dbraw/zinc/85/96/40/383859640.db2.gz LTULXDILQDGWOQ-DTWKUNHWSA-N 0 3 228.292 0.278 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000237071609 383859916 /nfs/dbraw/zinc/85/99/16/383859916.db2.gz XUSXTVPTRFPOFV-JGVFFNPUSA-N 0 3 230.308 0.285 20 0 BCADHN CC(C)(C)n1cc(NC(=O)[C@H]2CCN2)cn1 ZINC000336425720 383862200 /nfs/dbraw/zinc/86/22/00/383862200.db2.gz BFMZFGIBSDUQCU-SECBINFHSA-N 0 3 222.292 0.939 20 0 BCADHN CCC[C@H](N)C(=O)NCCc1cnn(C)c1 ZINC000087765804 383862912 /nfs/dbraw/zinc/86/29/12/383862912.db2.gz CPXXTFBLUHRYPO-JTQLQIEISA-N 0 3 224.308 0.206 20 0 BCADHN OC[C@@H]1CN(CC2=CCCC2)CC[C@@H]1O ZINC000401064466 383864433 /nfs/dbraw/zinc/86/44/33/383864433.db2.gz GWIVTBJIEJQUGL-RYUDHWBXSA-N 0 3 211.305 0.772 20 0 BCADHN CC[C@H](N)C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000037826415 383865218 /nfs/dbraw/zinc/86/52/18/383865218.db2.gz UJFUOWYUDXKQFA-KOLCDFICSA-N 0 3 226.320 0.751 20 0 BCADHN CC[C@H](N)C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000037826413 383865267 /nfs/dbraw/zinc/86/52/67/383865267.db2.gz UJFUOWYUDXKQFA-ONGXEEELSA-N 0 3 226.320 0.751 20 0 BCADHN COCc1cccc(CNC(=O)C2(N)CC2)c1 ZINC000088130643 383880823 /nfs/dbraw/zinc/88/08/23/383880823.db2.gz YLJJUEWXXOHEGR-UHFFFAOYSA-N 0 3 234.299 0.941 20 0 BCADHN COc1ccc(C(=O)NCC[C@@H](C)[NH3+])c([O-])c1 ZINC000063170459 383881168 /nfs/dbraw/zinc/88/11/68/383881168.db2.gz NVGWNTCLBZGRMV-MRVPVSSYSA-N 0 3 238.287 0.868 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CCC[C@@H]1CCO ZINC000358520411 383833543 /nfs/dbraw/zinc/83/35/43/383833543.db2.gz HMHKRADCDYEZJN-GHMZBOCLSA-N 0 3 243.351 0.493 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2NCCOCCO ZINC000037051866 383934403 /nfs/dbraw/zinc/93/44/03/383934403.db2.gz CWWKMBRRKBRMNS-NSHDSACASA-N 0 3 239.319 0.396 20 0 BCADHN CN(C)Cc1cccc(C(=O)N2CC[C@H](O)C2)c1 ZINC000119875730 383908938 /nfs/dbraw/zinc/90/89/38/383908938.db2.gz CZSDPXCEFJLEIZ-ZDUSSCGKSA-N 0 3 248.326 0.955 20 0 BCADHN COCCNCCNC(=O)/C=C\c1cccnc1 ZINC000493113518 533019687 /nfs/dbraw/zinc/01/96/87/533019687.db2.gz FYCLCTUUDGODAB-PLNGDYQASA-N 0 3 249.314 0.447 20 0 BCADHN COC[C@@]1(C)CCN([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000560080089 383884671 /nfs/dbraw/zinc/88/46/71/383884671.db2.gz ZRDWHBDPMLZXIH-SKDRFNHKSA-N 0 3 240.303 0.102 20 0 BCADHN C[C@H](N)C(=O)N1CCCO[C@@H]2CCC[C@@H]21 ZINC000370698603 383886819 /nfs/dbraw/zinc/88/68/19/383886819.db2.gz HFRTZSCAUINCGF-LPEHRKFASA-N 0 3 212.293 0.504 20 0 BCADHN CC(C)CN(C)S(=O)(=O)NCCNC1CC1 ZINC000647210144 383889134 /nfs/dbraw/zinc/88/91/34/383889134.db2.gz OMQYSMSHACCXHL-UHFFFAOYSA-N 0 3 249.380 0.161 20 0 BCADHN Cc1n[nH]cc1C(=O)NC[C@H](C)N(C)C ZINC000070212407 383889522 /nfs/dbraw/zinc/88/95/22/383889522.db2.gz KZRDSMORSROKEM-ZETCQYMHSA-N 0 3 210.281 0.398 20 0 BCADHN Nc1ccncc1-c1nc([C@H]2CCCN2)no1 ZINC000647148212 383891660 /nfs/dbraw/zinc/89/16/60/383891660.db2.gz JILZKGDLNNSBLS-SECBINFHSA-N 0 3 231.259 0.969 20 0 BCADHN Nc1ccncc1-c1nc([C@@H]2CCCN2)no1 ZINC000647148213 383892591 /nfs/dbraw/zinc/89/25/91/383892591.db2.gz JILZKGDLNNSBLS-VIFPVBQESA-N 0 3 231.259 0.969 20 0 BCADHN O=S(=O)([N-]CC[NH2+]C1CC1)c1cscn1 ZINC000647210603 383898827 /nfs/dbraw/zinc/89/88/27/383898827.db2.gz OZMVQAJCRQFXIQ-UHFFFAOYSA-N 0 3 247.345 0.173 20 0 BCADHN C1[C@@H]2C[C@@H](c3nc([C@H]4CCCN4)no3)N[C@H]12 ZINC000647148835 383899526 /nfs/dbraw/zinc/89/95/26/383899526.db2.gz ZAPBQBYZYNLSGC-BGZDPUMWSA-N 0 3 220.276 0.917 20 0 BCADHN COc1ncncc1CNC[C@@H](CO)C(C)C ZINC000647210834 383902997 /nfs/dbraw/zinc/90/29/97/383902997.db2.gz BTPPAFWGBGEACC-NSHDSACASA-N 0 3 239.319 0.839 20 0 BCADHN CCN(C)CCNC(=O)c1cc(C)on1 ZINC000066958727 383903894 /nfs/dbraw/zinc/90/38/94/383903894.db2.gz LENFMODPYLKBPT-UHFFFAOYSA-N 0 3 211.265 0.665 20 0 BCADHN CC(C)N(C)CC(=O)NC(C)(C)CCO ZINC000332465236 384002085 /nfs/dbraw/zinc/00/20/85/384002085.db2.gz KANPJTHAURONCY-UHFFFAOYSA-N 0 3 216.325 0.604 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H](COC)C1CC1 ZINC000089634635 383982676 /nfs/dbraw/zinc/98/26/76/383982676.db2.gz UVJZSWMWHKZYRC-ONGXEEELSA-N 0 3 249.376 0.824 20 0 BCADHN CC(C)N(C)CC(=O)NC(C)(C)[C@@H](C)O ZINC000332446817 383983932 /nfs/dbraw/zinc/98/39/32/383983932.db2.gz FSBOTWKQNXVOGL-SECBINFHSA-N 0 3 216.325 0.602 20 0 BCADHN CN(C)CCNC(=O)[C@H]1COc2ccccc21 ZINC000113446918 383984971 /nfs/dbraw/zinc/98/49/71/383984971.db2.gz STGNDVWBERHJLD-NSHDSACASA-N 0 3 234.299 0.840 20 0 BCADHN CN(Cc1cccc(C(N)=O)c1)CC(C)(C)O ZINC000113750775 384002549 /nfs/dbraw/zinc/00/25/49/384002549.db2.gz UWENHBAMCISBNS-UHFFFAOYSA-N 0 3 236.315 0.988 20 0 BCADHN CC(C(=O)N1C[C@@H]2CCC[C@H]2C1)S(C)(=O)=O ZINC000247329137 383993854 /nfs/dbraw/zinc/99/38/54/383993854.db2.gz MWVWCVUZQVYJRG-UTLUCORTSA-N 0 3 245.344 0.678 20 0 BCADHN CC(=O)NCCCN1CCN(CC(C)C)CC1 ZINC000150246763 383995649 /nfs/dbraw/zinc/99/56/49/383995649.db2.gz JXYPVDFKCWDMJI-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN CCCn1cc(CNCCc2nnc[nH]2)cn1 ZINC000119153086 383996633 /nfs/dbraw/zinc/99/66/33/383996633.db2.gz DIGUCWWQYFCSAA-UHFFFAOYSA-N 0 3 234.307 0.744 20 0 BCADHN CC[C@@H](NCc1cncnc1OC)[C@@H](C)O ZINC000647215295 383998843 /nfs/dbraw/zinc/99/88/43/383998843.db2.gz OPPYFRQGWRYFHP-PSASIEDQSA-N 0 3 225.292 0.734 20 0 BCADHN COC[C@H](O)CN[C@@H](C)c1cnn(C)c1 ZINC000070589300 383937626 /nfs/dbraw/zinc/93/76/26/383937626.db2.gz DBCKGUMEQVDKTB-WCBMZHEXSA-N 0 3 213.281 0.078 20 0 BCADHN C[C@H](O)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000408070611 134385806 /nfs/dbraw/zinc/38/58/06/134385806.db2.gz KCODXIJPSMOFKE-AEJSXWLSSA-N 0 3 214.309 0.356 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1ncc[nH]1 ZINC000070646724 383947105 /nfs/dbraw/zinc/94/71/05/383947105.db2.gz NOOPVHKWZOSDJB-SNVBAGLBSA-N 0 3 210.281 0.543 20 0 BCADHN CC(C(=O)N[C@H](C)C(F)(F)F)S(C)(=O)=O ZINC000332432326 383951112 /nfs/dbraw/zinc/95/11/12/383951112.db2.gz BZNYIRGILCMZPG-RFZPGFLSSA-N 0 3 247.238 0.487 20 0 BCADHN c1ncc(CNCCCN2CCOCC2)cn1 ZINC000054767113 383954941 /nfs/dbraw/zinc/95/49/41/383954941.db2.gz ALXILFVIICQYBQ-UHFFFAOYSA-N 0 3 236.319 0.289 20 0 BCADHN C[C@@H](CN1CCOCC1)NCc1cncnc1 ZINC000054767326 383956957 /nfs/dbraw/zinc/95/69/57/383956957.db2.gz WEXPYLSYTCPIPH-NSHDSACASA-N 0 3 236.319 0.287 20 0 BCADHN CSC[C@@H](O)CNCc1cccc(CO)n1 ZINC000564799386 383965287 /nfs/dbraw/zinc/96/52/87/383965287.db2.gz WVGLQOIEIRYOLQ-NSHDSACASA-N 0 3 242.344 0.387 20 0 BCADHN CCC1(O)CCN(C(=O)[C@H](C)NC)CC1 ZINC000569378039 383971378 /nfs/dbraw/zinc/97/13/78/383971378.db2.gz DSSCLLKGSNHSKM-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN C[C@H]1CN(c2nnnn2C)CCN(C2CC2)C1 ZINC000560213768 383974391 /nfs/dbraw/zinc/97/43/91/383974391.db2.gz VUJLKILVNKOLJC-SECBINFHSA-N 0 3 236.323 0.131 20 0 BCADHN C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccncc1 ZINC000068802974 384016152 /nfs/dbraw/zinc/01/61/52/384016152.db2.gz ZRAMSRIDROFBPE-TZMCWYRMSA-N 0 3 248.374 0.978 20 0 BCADHN C[C@@H](NC[C@@H]1CN(C)CCN1C)c1cccnc1 ZINC000068801963 384016347 /nfs/dbraw/zinc/01/63/47/384016347.db2.gz ZOFRQXZPASPMLO-TZMCWYRMSA-N 0 3 248.374 0.978 20 0 BCADHN CC(C)C(=O)NCCN[C@@H]1CO[C@@H](C)C1 ZINC000401794117 384019914 /nfs/dbraw/zinc/01/99/14/384019914.db2.gz PKYILNDGZXGMDG-UWVGGRQHSA-N 0 3 214.309 0.526 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)c1cccnc1 ZINC000152722541 384020374 /nfs/dbraw/zinc/02/03/74/384020374.db2.gz RWECIWPDOPFASC-GFCCVEGCSA-N 0 3 237.303 0.124 20 0 BCADHN CN(Cc1ccc2c(c1)OCO2)C(=O)CN ZINC000037801097 384020862 /nfs/dbraw/zinc/02/08/62/384020862.db2.gz XPOSNVRUMXFQHH-UHFFFAOYSA-N 0 3 222.244 0.332 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@H]1CO[C@H](C)C1 ZINC000401798533 384022841 /nfs/dbraw/zinc/02/28/41/384022841.db2.gz RHKUUHCXQAWQLA-KXUCPTDWSA-N 0 3 214.309 0.620 20 0 BCADHN CC(C)N(C)C(=O)CN1CCCC[C@H](N)C1=O ZINC000643616078 384007489 /nfs/dbraw/zinc/00/74/89/384007489.db2.gz IMRARTBSXVATRR-JTQLQIEISA-N 0 3 241.335 0.193 20 0 BCADHN CC[C@@H](C(=O)N[C@](C)(CO)C(C)C)N(C)C ZINC000332470113 384010182 /nfs/dbraw/zinc/01/01/82/384010182.db2.gz LHSNUDYZFSNZST-CMPLNLGQSA-N 0 3 230.352 0.850 20 0 BCADHN C[C@H](C(=O)N(C)CCN(C)C)N1CC(C)C1 ZINC000518561130 384010608 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/nfs/dbraw/zinc/02/96/66/384029666.db2.gz AEEJTNVZLMWLGT-CYBMUJFWSA-N 0 3 239.315 0.930 20 0 BCADHN C[C@H](N[C@@H](C)[C@H]1CCOC1)c1nnnn1C ZINC000309584950 384031077 /nfs/dbraw/zinc/03/10/77/384031077.db2.gz RNOIJVYYJYPZPI-CIUDSAMLSA-N 0 3 225.296 0.286 20 0 BCADHN CCN(C)S(=O)(=O)N1CCN[C@@H](C(C)C)C1 ZINC000647256075 384042582 /nfs/dbraw/zinc/04/25/82/384042582.db2.gz BHJNTXZOTYHPRD-SNVBAGLBSA-N 0 3 249.380 0.113 20 0 BCADHN CC[C@@H](COC)N[C@H](CO)c1cnn(C)c1 ZINC000090885231 384083487 /nfs/dbraw/zinc/08/34/87/384083487.db2.gz ISCJTTGTXHGJPW-WDEREUQCSA-N 0 3 227.308 0.468 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccnc(CN)c2)[C@H]1C ZINC000648127660 384054843 /nfs/dbraw/zinc/05/48/43/384054843.db2.gz DTWGHGUJIJFWOG-ZJUUUORDSA-N 0 3 248.330 0.363 20 0 BCADHN CC(C)[C@](C)(O)C(=O)NCCN(C)C ZINC000332502594 384056372 /nfs/dbraw/zinc/05/63/72/384056372.db2.gz URRTUYALGRRXCA-JTQLQIEISA-N 0 3 202.298 0.071 20 0 BCADHN COc1ccnc(C(=O)N2CCN[C@H](C)[C@H]2C)c1 ZINC000648128002 384057546 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/nfs/dbraw/zinc/07/73/72/384077372.db2.gz KTLRVZZKNYECTJ-GMTAPVOTSA-N 0 3 226.320 0.812 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1cccnn1 ZINC000528374251 384095501 /nfs/dbraw/zinc/09/55/01/384095501.db2.gz URVJVTBKKMUDDS-SNVBAGLBSA-N 0 3 234.303 0.643 20 0 BCADHN CNC(=O)CN[C@@H]1CCCC[C@@H]1C(=O)OC ZINC000309495949 384098805 /nfs/dbraw/zinc/09/88/05/384098805.db2.gz YJFQKIDNUCWBCB-DTWKUNHWSA-N 0 3 228.292 0.054 20 0 BCADHN CS(=O)(=O)NCC1CCN(C2CC2)CC1 ZINC000336547623 384104775 /nfs/dbraw/zinc/10/47/75/384104775.db2.gz JNQSBHCOXWAPOC-UHFFFAOYSA-N 0 3 232.349 0.410 20 0 BCADHN NS(=O)(=O)[C@H]1CCN(CC2CCCC2)C1 ZINC000335909860 384109905 /nfs/dbraw/zinc/10/99/05/384109905.db2.gz PIFOSQWJTGNNGK-JTQLQIEISA-N 0 3 232.349 0.539 20 0 BCADHN O=C1CCCN1[C@H]1CCCN([C@@H]2CCOC2)C1 ZINC000336553181 384114720 /nfs/dbraw/zinc/11/47/20/384114720.db2.gz RRNMSDYQQYVQFU-NWDGAFQWSA-N 0 3 238.331 0.862 20 0 BCADHN C[C@H](NC(=O)C[C@@H]1CNCCO1)c1cccnc1 ZINC000091299400 384115885 /nfs/dbraw/zinc/11/58/85/384115885.db2.gz DAWOXNQQHHSUTC-CMPLNLGQSA-N 0 3 249.314 0.637 20 0 BCADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCCC[NH3+] ZINC000648153622 384117146 /nfs/dbraw/zinc/11/71/46/384117146.db2.gz NRJCAZDGZJZXJM-UHFFFAOYSA-N 0 3 240.263 0.264 20 0 BCADHN Cc1cnccc1NC(=O)C[C@H]1CNCCO1 ZINC000091312267 384117494 /nfs/dbraw/zinc/11/74/94/384117494.db2.gz SOPIXYQWRLMLOR-JTQLQIEISA-N 0 3 235.287 0.707 20 0 BCADHN C[C@@H](NC[C@@H]1CN(C)CCO1)c1cnn(C)c1 ZINC000091666991 384135516 /nfs/dbraw/zinc/13/55/16/384135516.db2.gz WNRKBJRFHDQBNS-ZYHUDNBSSA-N 0 3 238.335 0.401 20 0 BCADHN C[C@H](CNC(=O)c1ccon1)N1CCCC1 ZINC000519937594 384137227 /nfs/dbraw/zinc/13/72/27/384137227.db2.gz HEGMHEJOUWQOOR-SECBINFHSA-N 0 3 223.276 0.889 20 0 BCADHN CC(C)N1CC[C@@H](N2CC[C@@H](CO)C2)C1=O ZINC000305215446 384124245 /nfs/dbraw/zinc/12/42/45/384124245.db2.gz RAXBZPPLVRTDJF-GHMZBOCLSA-N 0 3 226.320 0.310 20 0 BCADHN O=C1NCCC[C@H]1N1CCC2(C1)CCOCC2 ZINC000336553829 384124833 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SNUBJGHBWDECFH-LLVKDONJSA-N 0 3 226.320 0.456 20 0 BCADHN COC(=O)C1(NC(=O)[C@H](C)N)CCCCC1 ZINC000080495505 384171577 /nfs/dbraw/zinc/17/15/77/384171577.db2.gz FUWRJJSBFUYTFI-QMMMGPOBSA-N 0 3 228.292 0.326 20 0 BCADHN O=C(COC(F)F)N1CC[C@H](N2CCCC2)C1 ZINC000560485335 384162672 /nfs/dbraw/zinc/16/26/72/384162672.db2.gz QVDNIPXPYVRWSC-VIFPVBQESA-N 0 3 248.273 0.922 20 0 BCADHN CCOCC(=O)NC[C@H](C)N1CCCC1 ZINC000092253063 384164253 /nfs/dbraw/zinc/16/42/53/384164253.db2.gz JVKBMFRITWMWGD-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN C[C@@H](NCc1cnnn1C)[C@H]1CCCOC1 ZINC000309744169 384169679 /nfs/dbraw/zinc/16/96/79/384169679.db2.gz FDIFPGJUVNYWPX-ZJUUUORDSA-N 0 3 224.308 0.720 20 0 BCADHN CC[C@H](C)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000560505602 384177028 /nfs/dbraw/zinc/17/70/28/384177028.db2.gz PPKFOEWQVFXGOF-GWCFXTLKSA-N 0 3 240.347 0.605 20 0 BCADHN CC(C)N(CCN(C)C)c1nccn2nnnc12 ZINC000518680395 384178825 /nfs/dbraw/zinc/17/88/25/384178825.db2.gz VDNATAIMDLNIGQ-UHFFFAOYSA-N 0 3 249.322 0.296 20 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COCC[C@H](C)NCC(=O)NCC1CC1 ZINC000081713136 384198300 /nfs/dbraw/zinc/19/83/00/384198300.db2.gz SUHJFXZJVFCRLU-VIFPVBQESA-N 0 3 214.309 0.527 20 0 BCADHN CCSCCNCC(=O)N1CCOCC1 ZINC000308768231 384199485 /nfs/dbraw/zinc/19/94/85/384199485.db2.gz XBUIGPOMFIQTMS-UHFFFAOYSA-N 0 3 232.349 0.188 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCOC[C@H]1C1CC1 ZINC000644160490 384231227 /nfs/dbraw/zinc/23/12/27/384231227.db2.gz RGNDTGNSUMCZKV-QWRGUYRKSA-N 0 3 238.331 0.622 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccnnc1 ZINC000132484703 384234960 /nfs/dbraw/zinc/23/49/60/384234960.db2.gz XBXVCDJUEMONDU-UHFFFAOYSA-N 0 3 208.265 0.110 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)c(C)[nH]1 ZINC000644160789 384235062 /nfs/dbraw/zinc/23/50/62/384235062.db2.gz NRKJAQZSJCYZKO-JTQLQIEISA-N 0 3 237.303 0.350 20 0 BCADHN CC[C@@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623851583 384241240 /nfs/dbraw/zinc/24/12/40/384241240.db2.gz BWIGMBIZPICCAP-SSDOTTSWSA-N 0 3 222.296 0.323 20 0 BCADHN CC(C)N1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000370768264 384237570 /nfs/dbraw/zinc/23/75/70/384237570.db2.gz YUNIMDLTXLBVKT-LBPRGKRZSA-N 0 3 243.326 0.241 20 0 BCADHN CC[C@H](CO)N(C)CCc1cnccn1 ZINC000402904295 384239002 /nfs/dbraw/zinc/23/90/02/384239002.db2.gz MZAARMOFBWCIPW-LLVKDONJSA-N 0 3 209.293 0.722 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CC1(C)C ZINC000081900997 384210567 /nfs/dbraw/zinc/21/05/67/384210567.db2.gz TWTSMXHSJRYYTM-HTQZYQBOSA-N 0 3 205.323 0.808 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000158223219 384211069 /nfs/dbraw/zinc/21/10/69/384211069.db2.gz XQZUPALVCOJXLN-ONGXEEELSA-N 0 3 222.288 0.053 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H](O)Cc1ccccc1 ZINC000158224907 384212200 /nfs/dbraw/zinc/21/22/00/384212200.db2.gz VRUPLAMGCGWZET-NEPJUHHUSA-N 0 3 236.315 0.444 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H]1CCCSC1 ZINC000081902761 384213539 /nfs/dbraw/zinc/21/35/39/384213539.db2.gz WHLUVJUBSMJWTB-DTWKUNHWSA-N 0 3 237.390 0.905 20 0 BCADHN O[C@H]1CCCN(CCc2cnccn2)C1 ZINC000402891584 384219737 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20 0 BCADHN C[N@H+](CCCOC([O-])=NC(N)=O)CC1CC1 ZINC000180440101 384467727 /nfs/dbraw/zinc/46/77/27/384467727.db2.gz YRVIWYCZDDNPKV-UHFFFAOYSA-N 0 3 229.280 0.523 20 0 BCADHN C[N@@H+](CCCOC([O-])=NC(N)=O)CC1CC1 ZINC000180440101 384467733 /nfs/dbraw/zinc/46/77/33/384467733.db2.gz YRVIWYCZDDNPKV-UHFFFAOYSA-N 0 3 229.280 0.523 20 0 BCADHN C[N@H+](CCCOC(=O)N=C(N)[O-])CC1CC1 ZINC000180440101 384467734 /nfs/dbraw/zinc/46/77/34/384467734.db2.gz YRVIWYCZDDNPKV-UHFFFAOYSA-N 0 3 229.280 0.523 20 0 BCADHN C[N@@H+](CCCOC(=O)N=C(N)[O-])CC1CC1 ZINC000180440101 384467741 /nfs/dbraw/zinc/46/77/41/384467741.db2.gz YRVIWYCZDDNPKV-UHFFFAOYSA-N 0 3 229.280 0.523 20 0 BCADHN C[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C)C2)C1(F)F ZINC000359736450 384468078 /nfs/dbraw/zinc/46/80/78/384468078.db2.gz DKWVFTIHRLROQE-WEDXCCLWSA-N 0 3 248.273 0.070 20 0 BCADHN Cn1ccnc1CNC(=O)[C@@]1(C)CCCCN1 ZINC000136207719 384485714 /nfs/dbraw/zinc/48/57/14/384485714.db2.gz IKBUGRWSBCOWRQ-GFCCVEGCSA-N 0 3 236.319 0.569 20 0 BCADHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1cnccn1 ZINC000078964421 384476262 /nfs/dbraw/zinc/47/62/62/384476262.db2.gz NVVUDDKOTOALDH-JTQLQIEISA-N 0 3 246.314 0.691 20 0 BCADHN C[C@H](N)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000178750695 384482152 /nfs/dbraw/zinc/48/21/52/384482152.db2.gz RWKOXYPDMDCVDL-VIFPVBQESA-N 0 3 245.286 0.612 20 0 BCADHN CC(C)[C@@H](C)CNC(=O)C1(N)CCOCC1 ZINC000149737340 384483658 /nfs/dbraw/zinc/48/36/58/384483658.db2.gz OMVWEDGQNWMYSJ-JTQLQIEISA-N 0 3 228.336 0.903 20 0 BCADHN C[C@@H](N)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000178750701 384483696 /nfs/dbraw/zinc/48/36/96/384483696.db2.gz RWKOXYPDMDCVDL-SECBINFHSA-N 0 3 245.286 0.612 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc[nH]c(=O)c1 ZINC000262800093 384483998 /nfs/dbraw/zinc/48/39/98/384483998.db2.gz OXLCDRUIORAOQD-DTWKUNHWSA-N 0 3 235.287 0.610 20 0 BCADHN C[C@@H]1[C@@H](CO)CCN1CC(=O)N1CCCCC1 ZINC000335812565 384500014 /nfs/dbraw/zinc/50/00/14/384500014.db2.gz OKDRMNZAIGKIAP-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@@H](C(=O)NCc1cnn(C)c1)N(C)C ZINC000161531525 384500289 /nfs/dbraw/zinc/50/02/89/384500289.db2.gz PCSQSAXGAPBRHT-JTQLQIEISA-N 0 3 224.308 0.377 20 0 BCADHN CC[C@H](N)C(=O)NCCCOC(C)C ZINC000040830574 384500885 /nfs/dbraw/zinc/50/08/85/384500885.db2.gz COOZCEGNTVCFNL-VIFPVBQESA-N 0 3 202.298 0.655 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCN(C)CC1 ZINC000037481152 384504624 /nfs/dbraw/zinc/50/46/24/384504624.db2.gz LIUNWLSYWXZBJV-LLVKDONJSA-N 0 3 213.325 0.278 20 0 BCADHN COCCOCCN(C)C(=O)/C=C\CN(C)C ZINC000493587943 533067910 /nfs/dbraw/zinc/06/79/10/533067910.db2.gz QPWFCTGZJNLOCJ-WAYWQWQTSA-N 0 3 244.335 0.226 20 0 BCADHN COC[C@@H](O)C[NH2+]Cc1nc(C)ccc1[O-] ZINC000079619113 384505869 /nfs/dbraw/zinc/50/58/69/384505869.db2.gz JQNGQNVAUHWHSO-VIFPVBQESA-N 0 3 226.276 0.193 20 0 BCADHN Cc1cccc(CCN2C[C@H](O)C[C@H]2CO)n1 ZINC000564913362 384506204 /nfs/dbraw/zinc/50/62/04/384506204.db2.gz WRDHYNDFUUYNEX-QWHCGFSZSA-N 0 3 236.315 0.360 20 0 BCADHN CCN(CCO)C(=O)CN1CCC(C)(C)C1 ZINC000561118089 384512012 /nfs/dbraw/zinc/51/20/12/384512012.db2.gz HGHBEJOYYLECKZ-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)[C@H]1NCCCC1(C)C ZINC000234528975 384492509 /nfs/dbraw/zinc/49/25/09/384492509.db2.gz FGXUHMSZGLRYPE-RKDXNWHRSA-N 0 3 242.319 0.442 20 0 BCADHN CCN(C)CCNC(=O)C1(CCOC)CC1 ZINC000161855901 384535665 /nfs/dbraw/zinc/53/56/65/384535665.db2.gz XVLKLRMDCQGPIP-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CC(C)(CNS(C)(=O)=O)N1CCCCC1 ZINC000048904789 384513398 /nfs/dbraw/zinc/51/33/98/384513398.db2.gz BVSTWEQZHFHPBS-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN O=S(=O)(NC1CNC1)c1ccccc1F ZINC000085256292 384513538 /nfs/dbraw/zinc/51/35/38/384513538.db2.gz LGBWKVDHEYAFHT-UHFFFAOYSA-N 0 3 230.264 0.076 20 0 BCADHN CCc1ccc(S(=O)(=O)NC2CNC2)s1 ZINC000085256315 384513643 /nfs/dbraw/zinc/51/36/43/384513643.db2.gz OHBJZGXQGRKODA-UHFFFAOYSA-N 0 3 246.357 0.561 20 0 BCADHN NC[C@H]1c2ccccc2CCN1CCO ZINC000082640164 384515248 /nfs/dbraw/zinc/51/52/48/384515248.db2.gz ISUDOLMPVIUMJK-LBPRGKRZSA-N 0 3 206.289 0.537 20 0 BCADHN CN(C[C@@H](O)C1CCCCC1)[C@@H]1COC[C@H]1O ZINC000556834892 384518000 /nfs/dbraw/zinc/51/80/00/384518000.db2.gz ZOXXEYQIMGCZHG-JHJVBQTASA-N 0 3 243.347 0.619 20 0 BCADHN C[C@H](O)[C@@H]1CCCN([C@H]2CCN(C)C2=O)C1 ZINC000533538822 384518496 /nfs/dbraw/zinc/51/84/96/384518496.db2.gz SZSWQWPLRQSBRJ-AXFHLTTASA-N 0 3 226.320 0.310 20 0 BCADHN CC(C)C[C@@H](CO)N[C@@H](C)CS(C)(=O)=O ZINC000081900830 134416851 /nfs/dbraw/zinc/41/68/51/134416851.db2.gz KDADDCLOIVZEGT-UWVGGRQHSA-N 0 3 237.365 0.416 20 0 BCADHN CO[C@@H]1CCCN(CCN2C(=O)CCC2=O)C1 ZINC000170821145 384519826 /nfs/dbraw/zinc/51/98/26/384519826.db2.gz BSYUDDXPFKMBGB-SNVBAGLBSA-N 0 3 240.303 0.246 20 0 BCADHN O=C1NCCC[C@@H]1N[C@@H]1CCCSC1 ZINC000061589456 384520061 /nfs/dbraw/zinc/52/00/61/384520061.db2.gz KDKSBRFLYQZGGC-BDAKNGLRSA-N 0 3 214.334 0.750 20 0 BCADHN CC(C)[C@H](CCO)NCc1cc(=O)c(O)co1 ZINC000161729244 384521809 /nfs/dbraw/zinc/52/18/09/384521809.db2.gz UIYUIBYNZQCAKF-JTQLQIEISA-N 0 3 241.287 0.842 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000019442320 384522114 /nfs/dbraw/zinc/52/21/14/384522114.db2.gz BIJMTERYEPADEC-SNVBAGLBSA-N 0 3 235.287 0.707 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000150903194 384522189 /nfs/dbraw/zinc/52/21/89/384522189.db2.gz WRIMNCWFSNIXNM-KOLCDFICSA-N 0 3 230.283 0.325 20 0 BCADHN Cc1cccnc1CN1C[C@@H](CO)[C@H](CO)C1 ZINC000528603766 384525730 /nfs/dbraw/zinc/52/57/30/384525730.db2.gz MHYCICPCSWGTFO-RYUDHWBXSA-N 0 3 236.315 0.423 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CCSC ZINC000170928475 384526304 /nfs/dbraw/zinc/52/63/04/384526304.db2.gz NTZWVGGBUZAALQ-QMMMGPOBSA-N 0 3 202.323 0.560 20 0 BCADHN CCn1nc(C)c(CNC(=O)[C@H](C)N)c1C ZINC000569606675 384530536 /nfs/dbraw/zinc/53/05/36/384530536.db2.gz KPUPPDUWWBVFPY-ZETCQYMHSA-N 0 3 224.308 0.483 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC[C@H](CO)CC1 ZINC000336119828 384533499 /nfs/dbraw/zinc/53/34/99/384533499.db2.gz SXSIDQHSIOHUHT-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccncc1 ZINC000271050827 384541953 /nfs/dbraw/zinc/54/19/53/384541953.db2.gz AJMZHERNMOTYBB-GXSJLCMTSA-N 0 3 219.288 0.963 20 0 BCADHN CCN(CC)C(=O)C[C@@H]1CNCCO1 ZINC000085618656 384545954 /nfs/dbraw/zinc/54/59/54/384545954.db2.gz HSXNTQHPDKOEOK-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN CCCN(C)C(=O)C[C@@H]1CSCCN1 ZINC000085612939 384546682 /nfs/dbraw/zinc/54/66/82/384546682.db2.gz DGEAAMKQUXYKNA-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN CC(C)CN(C)C(=O)C[C@H]1CNCCO1 ZINC000085619109 384546705 /nfs/dbraw/zinc/54/67/05/384546705.db2.gz KVFYBVHJELIYSX-JTQLQIEISA-N 0 3 214.309 0.479 20 0 BCADHN C[C@H](N)C(=O)NCC[C@@H](O)c1ccccc1 ZINC000161944918 384546925 /nfs/dbraw/zinc/54/69/25/384546925.db2.gz KKFUEVOLFGRZFQ-GXSJLCMTSA-N 0 3 222.288 0.574 20 0 BCADHN C[C@@H](N)C(=O)NCC[C@H](O)c1ccccc1 ZINC000161945771 384546993 /nfs/dbraw/zinc/54/69/93/384546993.db2.gz KKFUEVOLFGRZFQ-KOLCDFICSA-N 0 3 222.288 0.574 20 0 BCADHN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000647335597 384547149 /nfs/dbraw/zinc/54/71/49/384547149.db2.gz TYDIHTHYYWQWMI-BDAKNGLRSA-N 0 3 243.332 0.486 20 0 BCADHN CN(CC1CC1)C(=O)C[C@H]1CSCCN1 ZINC000085613483 384547151 /nfs/dbraw/zinc/54/71/51/384547151.db2.gz UBBIZQKNXMZKRW-JTQLQIEISA-N 0 3 228.361 0.950 20 0 BCADHN C[C@H]1CCCN1C(=O)C[C@@H]1CNCCO1 ZINC000085619571 384547649 /nfs/dbraw/zinc/54/76/49/384547649.db2.gz JQYURXRTBVMTCU-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@H](C)NC(=O)C[C@@H]1CNCCO1 ZINC000085618710 384547887 /nfs/dbraw/zinc/54/78/87/384547887.db2.gz NYRZHTPLZDPKKJ-DTWKUNHWSA-N 0 3 200.282 0.280 20 0 BCADHN CC(C)N(C)CC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000151186987 384549711 /nfs/dbraw/zinc/54/97/11/384549711.db2.gz DYGYLTKSLFFPJY-GFCCVEGCSA-N 0 3 241.379 0.879 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC([C@@H](C)O)CC1 ZINC000234590640 384554867 /nfs/dbraw/zinc/55/48/67/384554867.db2.gz QSDNNMICDJOFHR-BXKDBHETSA-N 0 3 245.319 0.003 20 0 BCADHN COCCN1CCN(CCCCCO)CC1 ZINC000171144125 384555738 /nfs/dbraw/zinc/55/57/38/384555738.db2.gz YODQTDLBRCFDON-UHFFFAOYSA-N 0 3 230.352 0.413 20 0 BCADHN CCN(CCNC(=O)[C@H](C)OC)C1CC1 ZINC000171140229 384556745 /nfs/dbraw/zinc/55/67/45/384556745.db2.gz UWOHEIPXFMHJKX-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)[C@H](N)c1cn(CCc2ccnn2C)nn1 ZINC000305950543 384557721 /nfs/dbraw/zinc/55/77/21/384557721.db2.gz UOGVXEHDKNGHSA-LBPRGKRZSA-N 0 3 248.334 0.910 20 0 BCADHN CC[C@H](C)[C@H](O)CNC[C@H](O)C(F)(F)F ZINC000647523773 384558551 /nfs/dbraw/zinc/55/85/51/384558551.db2.gz HMHCUOUYWCYONU-RNJXMRFFSA-N 0 3 229.242 0.906 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC[C@@H](O)C(F)(F)F ZINC000647523771 384560230 /nfs/dbraw/zinc/56/02/30/384560230.db2.gz HMHCUOUYWCYONU-BIIVOSGPSA-N 0 3 229.242 0.906 20 0 BCADHN COc1c(CN[C@@H](C)[C@@H](C)CO)c(C)nn1C ZINC000123170233 384539514 /nfs/dbraw/zinc/53/95/14/384539514.db2.gz FVUVZCKBIVEKIS-IUCAKERBSA-N 0 3 241.335 0.844 20 0 BCADHN CC(C)[C@H]1CN(C(=O)CN)CCS1 ZINC000236609921 384540148 /nfs/dbraw/zinc/54/01/48/384540148.db2.gz CRZPNAARTPHILO-MRVPVSSYSA-N 0 3 202.323 0.545 20 0 BCADHN CCOCC[C@H](O)CNC[C@@H](O)C(F)(F)F ZINC000647521967 384541184 /nfs/dbraw/zinc/54/11/84/384541184.db2.gz QCEQYZWGJABDOV-JGVFFNPUSA-N 0 3 245.241 0.287 20 0 BCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCCO ZINC000303106580 384541342 /nfs/dbraw/zinc/54/13/42/384541342.db2.gz FCFWSJPKVVOBHI-MNOVXSKESA-N 0 3 243.351 0.398 20 0 BCADHN CC(C)[C@H](C(=O)N(C)CC(C)(C)O)N(C)C ZINC000151341404 384569730 /nfs/dbraw/zinc/56/97/30/384569730.db2.gz RVJLOCUPLJVYBU-SNVBAGLBSA-N 0 3 230.352 0.802 20 0 BCADHN C[C@H](NCC(=O)NC(N)=O)c1ccccc1 ZINC000020035343 384571237 /nfs/dbraw/zinc/57/12/37/384571237.db2.gz XLEXQCGIEHVLQM-QMMMGPOBSA-N 0 3 221.260 0.532 20 0 BCADHN CSCCC(=O)NC[C@H](C)N(C)C ZINC000308290814 384572812 /nfs/dbraw/zinc/57/28/12/384572812.db2.gz DSGXNCKVYIXNDT-QMMMGPOBSA-N 0 3 204.339 0.806 20 0 BCADHN CCCC[C@H](N)C(=O)N1CCN[C@H](C)C1 ZINC000236764227 384574855 /nfs/dbraw/zinc/57/48/55/384574855.db2.gz ZHTJUDNPMLIVDL-ZJUUUORDSA-N 0 3 213.325 0.324 20 0 BCADHN CN(C)CCNC(=O)c1c[nH]nc1C1CC1 ZINC000184169950 384575695 /nfs/dbraw/zinc/57/56/95/384575695.db2.gz XBTSOPCOUBNGBD-UHFFFAOYSA-N 0 3 222.292 0.579 20 0 BCADHN COCC1(NC(=O)C[C@@H]2CSCCN2)CC1 ZINC000517922549 384578909 /nfs/dbraw/zinc/57/89/09/384578909.db2.gz XLQNAEFSMYMYFD-SECBINFHSA-N 0 3 244.360 0.377 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000236784765 384579824 /nfs/dbraw/zinc/57/98/24/384579824.db2.gz HZVSNSLWBCWTKF-VWYCJHECSA-N 0 3 244.335 0.280 20 0 BCADHN CN(C)C(=O)NC[C@H](N)c1ccccc1 ZINC000085956998 384587472 /nfs/dbraw/zinc/58/74/72/384587472.db2.gz IZRHPEXUQDCZPB-JTQLQIEISA-N 0 3 207.277 0.958 20 0 BCADHN O=C(CN1CCNCC1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403229532 384606763 /nfs/dbraw/zinc/60/67/63/384606763.db2.gz MAMMTPOJNBUKCA-IJLUTSLNSA-N 0 3 237.347 0.196 20 0 BCADHN Cc1cnn(C2CN(C(=O)/C=C/CN(C)C)C2)c1 ZINC000363473254 384609457 /nfs/dbraw/zinc/60/94/57/384609457.db2.gz ZWZKAPKYVZCQJT-SNAWJCMRSA-N 0 3 248.330 0.693 20 0 BCADHN COC(=O)CNC(=O)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000154349755 384612354 /nfs/dbraw/zinc/61/23/54/384612354.db2.gz GVSSHGNUENPGSB-AOOOYVTPSA-N 0 3 240.303 0.008 20 0 BCADHN COc1ncncc1CNC[C@@H](C)C[C@@H](C)O ZINC000647185571 384615721 /nfs/dbraw/zinc/61/57/21/384615721.db2.gz HVYRTODBSXEZIB-VHSXEESVSA-N 0 3 239.319 0.982 20 0 BCADHN COc1ncncc1CN[C@H](C)[C@H](C)CO ZINC000647185842 384616654 /nfs/dbraw/zinc/61/66/54/384616654.db2.gz SCFGTPSNXQYNHQ-RKDXNWHRSA-N 0 3 225.292 0.592 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCCn1ccnc1 ZINC000020506375 384620330 /nfs/dbraw/zinc/62/03/30/384620330.db2.gz GMBAOBVLOVGQPX-SNVBAGLBSA-N 0 3 224.308 0.373 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@@](C)(CCO)COC ZINC000176372647 384623673 /nfs/dbraw/zinc/62/36/73/384623673.db2.gz UUHZYEPLHZJDRH-JQWIXIFHSA-N 0 3 246.351 0.278 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000556896315 384625446 /nfs/dbraw/zinc/62/54/46/384625446.db2.gz AXHULVJPTVILMK-YUSALJHKSA-N 0 3 240.347 0.602 20 0 BCADHN CSCCC(=O)N(C)CCN(C)C ZINC000176377229 384626626 /nfs/dbraw/zinc/62/66/26/384626626.db2.gz KEZCLDIKXVETJQ-UHFFFAOYSA-N 0 3 204.339 0.760 20 0 BCADHN Cc1ncncc1C(=O)NC[C@H](C)N1CCCC1 ZINC000518037533 384629019 /nfs/dbraw/zinc/62/90/19/384629019.db2.gz CAJPZKIOLJPAMF-JTQLQIEISA-N 0 3 248.330 0.999 20 0 BCADHN CN(Cc1ccncc1)C(=O)C(C)(C)N ZINC000040920789 384630257 /nfs/dbraw/zinc/63/02/57/384630257.db2.gz XCNDMDOKWGQSAC-UHFFFAOYSA-N 0 3 207.277 0.777 20 0 BCADHN CN(C)CCNC(=O)c1ccc2c(c1)CCN2 ZINC000036895674 384630894 /nfs/dbraw/zinc/63/08/94/384630894.db2.gz LDCMHNHYIFXUDQ-UHFFFAOYSA-N 0 3 233.315 0.946 20 0 BCADHN C[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C1CCC1 ZINC000517960109 384592182 /nfs/dbraw/zinc/59/21/82/384592182.db2.gz NOPVWRIIKUDSBN-USWWRNFRSA-N 0 3 240.347 0.556 20 0 BCADHN COC[C@H](O)CN(C)CCc1ccncc1 ZINC000050120557 384594851 /nfs/dbraw/zinc/59/48/51/384594851.db2.gz IBGDRCUGIOZZMF-GFCCVEGCSA-N 0 3 224.304 0.563 20 0 BCADHN C[C@H](CO)N(C)C(=O)NC[C@@H]1CCCN1C ZINC000338632049 384595104 /nfs/dbraw/zinc/59/51/04/384595104.db2.gz RUGDJDLUBLWRCQ-ZJUUUORDSA-N 0 3 229.324 0.103 20 0 BCADHN Cc1nc(CN[C@@H]2CCO[C@@H]2C2CC2)n[nH]1 ZINC000309845577 384663193 /nfs/dbraw/zinc/66/31/93/384663193.db2.gz GJSCIHFDPLVTIG-MWLCHTKSSA-N 0 3 222.292 0.770 20 0 BCADHN CO[C@H](C)CN1CCC2(COC(=O)N2)CC1 ZINC000495249480 533082053 /nfs/dbraw/zinc/08/20/53/533082053.db2.gz FDNAHHATKHIPJQ-SECBINFHSA-N 0 3 228.292 0.596 20 0 BCADHN CN(CCCCO)CCc1cnccn1 ZINC000357038115 384670428 /nfs/dbraw/zinc/67/04/28/384670428.db2.gz MLXIDDFQNKIBEE-UHFFFAOYSA-N 0 3 209.293 0.723 20 0 BCADHN CC[C@](C)(NCCn1cc(Cl)cn1)C(N)=O ZINC000312829975 384670933 /nfs/dbraw/zinc/67/09/33/384670933.db2.gz KWVXFVYKNZKUME-JTQLQIEISA-N 0 3 244.726 0.780 20 0 BCADHN CC[C@@H](C(=O)N(C)Cc1cnn(C)c1)N(C)C ZINC000124761643 384674560 /nfs/dbraw/zinc/67/45/60/384674560.db2.gz XSYQVHLKTNPLMJ-NSHDSACASA-N 0 3 238.335 0.719 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCc1ccncc1 ZINC000081900512 384638104 /nfs/dbraw/zinc/63/81/04/384638104.db2.gz GLNIFBLMEXMNKG-JTQLQIEISA-N 0 3 242.344 0.647 20 0 BCADHN CC[C@@H](C(=O)NCCCn1ccnc1)N(C)C ZINC000124440822 384642069 /nfs/dbraw/zinc/64/20/69/384642069.db2.gz NRFZUALVPSVWIB-NSHDSACASA-N 0 3 238.335 0.730 20 0 BCADHN CN(CC(F)F)C(=O)NC1CCN(C)CC1 ZINC000103596132 384642905 /nfs/dbraw/zinc/64/29/05/384642905.db2.gz XZPQCGBCAKMUTH-UHFFFAOYSA-N 0 3 235.278 0.987 20 0 BCADHN CO[C@H](C)CN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496429303 533083776 /nfs/dbraw/zinc/08/37/76/533083776.db2.gz IOMIAHZBLGXMMY-NXEZZACHSA-N 0 3 230.308 0.794 20 0 BCADHN CN[C@@H](C)C(=O)N1CCOCC12CCC2 ZINC000566471164 384653814 /nfs/dbraw/zinc/65/38/14/384653814.db2.gz NWJFLDWMJVPHQQ-VIFPVBQESA-N 0 3 212.293 0.376 20 0 BCADHN CC(C)c1nnc(NC(=O)[C@@H](C)N)s1 ZINC000082255785 384653747 /nfs/dbraw/zinc/65/37/47/384653747.db2.gz YEVSFMHHZNDYTP-RXMQYKEDSA-N 0 3 214.294 0.947 20 0 BCADHN C[C@@H](N)C(=O)NCCc1nc2ccccc2[nH]1 ZINC000082255824 384654274 /nfs/dbraw/zinc/65/42/74/384654274.db2.gz 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238.287 0.335 20 0 BCADHN CCC1(CC)[C@H](NC(=O)CNC)C[C@@H]1OC ZINC000236861362 384683346 /nfs/dbraw/zinc/68/33/46/384683346.db2.gz IWAFMZUEBVPIMR-ZJUUUORDSA-N 0 3 228.336 0.916 20 0 BCADHN CO[C@H]1CCCN([C@@H]2CCNC2=O)CC1 ZINC000363680767 384686158 /nfs/dbraw/zinc/68/61/58/384686158.db2.gz YWZXERSKQZKBTF-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CO[C@H]1CCCN([C@H]2CCNC2=O)CC1 ZINC000363680766 384686312 /nfs/dbraw/zinc/68/63/12/384686312.db2.gz YWZXERSKQZKBTF-UWVGGRQHSA-N 0 3 212.293 0.376 20 0 BCADHN O=C1COc2ccc(CNCCO)cc2N1 ZINC000082538931 384690471 /nfs/dbraw/zinc/69/04/71/384690471.db2.gz IYBIECLHYKRMBA-UHFFFAOYSA-N 0 3 222.244 0.099 20 0 BCADHN COc1ncncc1CN[C@H](CO)C(C)C ZINC000647190170 384692584 /nfs/dbraw/zinc/69/25/84/384692584.db2.gz LHBGVMBJVFRTND-SNVBAGLBSA-N 0 3 225.292 0.592 20 0 BCADHN Cc1nnccc1C(=O)NC[C@H]1CCN(C)C1 ZINC000533577698 384694322 /nfs/dbraw/zinc/69/43/22/384694322.db2.gz OQKPWIWJZYWLEG-SNVBAGLBSA-N 0 3 234.303 0.467 20 0 BCADHN C[C@@H](O)CN(C)Cc1ccc(C(N)=O)cc1 ZINC000051821667 384694843 /nfs/dbraw/zinc/69/48/43/384694843.db2.gz NQBYVYMAKICHLE-SECBINFHSA-N 0 3 222.288 0.598 20 0 BCADHN COc1ccccc1CNC(=O)[C@@H]1C[C@@H]1N ZINC000050457144 384698060 /nfs/dbraw/zinc/69/80/60/384698060.db2.gz NHKSTVXEIXGMKS-ZJUUUORDSA-N 0 3 220.272 0.659 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000307441383 384699091 /nfs/dbraw/zinc/69/90/91/384699091.db2.gz NIKJVYJGHJCTPU-FNCVBFRFSA-N 0 3 200.282 0.406 20 0 BCADHN Cc1n[nH]cc1CN1CCNC[C@@H]1C(F)F ZINC000647541857 384699575 /nfs/dbraw/zinc/69/95/75/384699575.db2.gz XSAVNIWLPATWGC-SECBINFHSA-N 0 3 230.262 0.757 20 0 BCADHN COC[C@@H](C)CC(=O)N1CCN2CCC1CC2 ZINC000357000102 384702576 /nfs/dbraw/zinc/70/25/76/384702576.db2.gz QUZOGVXDPYDZHI-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000247387990 384707965 /nfs/dbraw/zinc/70/79/65/384707965.db2.gz QEKBEMYDVRPSOR-VGMNWLOBSA-N 0 3 225.292 0.302 20 0 BCADHN COc1c(CN[C@H](C)CCO)c(C)nn1C ZINC000125262899 384708479 /nfs/dbraw/zinc/70/84/79/384708479.db2.gz XLVPQSXKDMPKRA-MRVPVSSYSA-N 0 3 227.308 0.598 20 0 BCADHN O=C(C[C@H]1CNCCO1)N[C@H]1CC12CC2 ZINC000335277273 384708470 /nfs/dbraw/zinc/70/84/70/384708470.db2.gz LXEFXMDWEZYPHD-IUCAKERBSA-N 0 3 210.277 0.034 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H](c2nccn2C)C1 ZINC000533866432 384711374 /nfs/dbraw/zinc/71/13/74/384711374.db2.gz FZGOVAJNCUHDAW-VHSXEESVSA-N 0 3 236.319 0.473 20 0 BCADHN CCN(CC)C(=O)CN[C@@H](CO)C(C)(C)C ZINC000309904580 384712122 /nfs/dbraw/zinc/71/21/22/384712122.db2.gz JNQVUTDAGFWEOT-JTQLQIEISA-N 0 3 230.352 0.851 20 0 BCADHN CC(=O)c1cccc(NC(=O)NCCN)c1 ZINC000041234682 384712444 /nfs/dbraw/zinc/71/24/44/384712444.db2.gz UUSHUKSPUBXLJQ-UHFFFAOYSA-N 0 3 221.260 0.969 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCC1=CCCOC1 ZINC000309918197 384714808 /nfs/dbraw/zinc/71/48/08/384714808.db2.gz QOQSHRJFNZBCHF-SNVBAGLBSA-N 0 3 247.360 0.746 20 0 BCADHN Cc1c(CN[C@H]2CO[C@@H](C)C2)cnn1C ZINC000335426539 384721596 /nfs/dbraw/zinc/72/15/96/384721596.db2.gz XRKAIHMLDSHWLZ-GZMMTYOYSA-N 0 3 209.293 0.996 20 0 BCADHN CN(C)[C@H]1CN(C(=O)C2(C)CCC2)C[C@@H]1O ZINC000556973658 384722583 /nfs/dbraw/zinc/72/25/83/384722583.db2.gz HMCDRJFBMPEIRP-UWVGGRQHSA-N 0 3 226.320 0.310 20 0 BCADHN Cc1cn[nH]c1CNCC1(C)OCCO1 ZINC000289586579 384773472 /nfs/dbraw/zinc/77/34/72/384773472.db2.gz TUKIXJDLPHIGSI-UHFFFAOYSA-N 0 3 211.265 0.571 20 0 BCADHN C[C@@H](NC(=O)CN)c1ccc2c(c1)CC(=O)N2 ZINC000082604924 384774269 /nfs/dbraw/zinc/77/42/69/384774269.db2.gz PRIYYYBDTQDAMY-SSDOTTSWSA-N 0 3 233.271 0.317 20 0 BCADHN C[C@H](N[C@@H]1CSC[C@@H]1C)C(=O)N(C)C ZINC000308525817 384780738 /nfs/dbraw/zinc/78/07/38/384780738.db2.gz IVBMJESDALFBML-XHNCKOQMSA-N 0 3 216.350 0.804 20 0 BCADHN CC[C@H](CCO)CNCc1nccn1C ZINC000087362564 384776475 /nfs/dbraw/zinc/77/64/75/384776475.db2.gz WIQCYRFFLJBUCS-SNVBAGLBSA-N 0 3 211.309 0.918 20 0 BCADHN CC[C@H](COC)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000310003553 384777080 /nfs/dbraw/zinc/77/70/80/384777080.db2.gz FQSZEZRXRBFFAC-DTWKUNHWSA-N 0 3 225.292 0.846 20 0 BCADHN CSCCCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000556978902 384732857 /nfs/dbraw/zinc/73/28/57/384732857.db2.gz YQTMROBPXDFIDT-UWVGGRQHSA-N 0 3 246.376 0.263 20 0 BCADHN CCS(=O)(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000307072863 384735460 /nfs/dbraw/zinc/73/54/60/384735460.db2.gz ZEHXOCCWWURIKV-DTWKUNHWSA-N 0 3 220.338 0.361 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C ZINC000230195437 384736133 /nfs/dbraw/zinc/73/61/33/384736133.db2.gz PSBFGXQJFNJDKT-GXSJLCMTSA-N 0 3 249.314 0.587 20 0 BCADHN Cn1cc([C@H]2CCN([C@H]3CCOC3)C2)cn1 ZINC000271438895 384737081 /nfs/dbraw/zinc/73/70/81/384737081.db2.gz RLYZVHSAALLERW-JQWIXIFHSA-N 0 3 221.304 0.998 20 0 BCADHN O=C(CC(F)(F)F)N1CCCNCC1 ZINC000022150989 384741021 /nfs/dbraw/zinc/74/10/21/384741021.db2.gz YETZWDWRRFUSQP-UHFFFAOYSA-N 0 3 210.199 0.761 20 0 BCADHN CC(C)(C)OCCN[C@@H](CO)[C@H]1CCCO1 ZINC000309702352 384741735 /nfs/dbraw/zinc/74/17/35/384741735.db2.gz UCFOLQXTADGOOK-WDEREUQCSA-N 0 3 231.336 0.931 20 0 BCADHN CC[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC000536370805 384749701 /nfs/dbraw/zinc/74/97/01/384749701.db2.gz SNJLBCWPDTWRDB-AGIUHOORSA-N 0 3 243.347 0.885 20 0 BCADHN COC[C@H](C)N[C@H](CO)CC(F)(F)F ZINC000308494161 384753289 /nfs/dbraw/zinc/75/32/89/384753289.db2.gz CQPPUEJZVKQLIU-BQBZGAKWSA-N 0 3 215.215 0.924 20 0 BCADHN CC(C)N(C)C(=O)CN1CC[C@H](O)C1(C)C ZINC000309239739 384757575 /nfs/dbraw/zinc/75/75/75/384757575.db2.gz AHSOZWOYENPCJM-JTQLQIEISA-N 0 3 228.336 0.698 20 0 BCADHN C[C@@H](N[C@H]1COC(C)(C)C1)C(=O)N(C)C ZINC000334955807 384759159 /nfs/dbraw/zinc/75/91/59/384759159.db2.gz LZHHFVQWEAJQIB-RKDXNWHRSA-N 0 3 214.309 0.620 20 0 BCADHN CCOc1ccccc1CNC[C@H](O)CO ZINC000083353960 384760898 /nfs/dbraw/zinc/76/08/98/384760898.db2.gz KPCSMCLGDWOQIL-NSHDSACASA-N 0 3 225.288 0.528 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)Cc2ccon2)C1 ZINC000531058187 384761011 /nfs/dbraw/zinc/76/10/11/384761011.db2.gz SXAMPFMXXXSLTD-SNVBAGLBSA-N 0 3 237.303 0.675 20 0 BCADHN CCOc1ccc(CNC[C@H](O)CO)cc1 ZINC000083353962 384763052 /nfs/dbraw/zinc/76/30/52/384763052.db2.gz GBLKSHUUEDNLGI-NSHDSACASA-N 0 3 225.288 0.528 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]CCC(=O)N(C)C)n1 ZINC000103344676 384763574 /nfs/dbraw/zinc/76/35/74/384763574.db2.gz RZJDCTBFKGWWBG-UHFFFAOYSA-N 0 3 237.303 0.664 20 0 BCADHN COCCN1CCN(C[C@@H]2CCOC2)CC1 ZINC000047717732 384764801 /nfs/dbraw/zinc/76/48/01/384764801.db2.gz COIZYXXYLOUEQQ-LBPRGKRZSA-N 0 3 228.336 0.287 20 0 BCADHN CCN(CCO)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000105266511 384765176 /nfs/dbraw/zinc/76/51/76/384765176.db2.gz RONAQNJZSOCWQQ-SNVBAGLBSA-N 0 3 243.351 0.493 20 0 BCADHN CO[C@@H]1C[C@H](N[C@H]2CCCNC2=O)C1(C)C ZINC000309984332 384765811 /nfs/dbraw/zinc/76/58/11/384765811.db2.gz XQGRXALCEBVMPX-LPEHRKFASA-N 0 3 226.320 0.668 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cccn1C ZINC000262703426 384766103 /nfs/dbraw/zinc/76/61/03/384766103.db2.gz BDUJSJDFDPXNDW-VHSXEESVSA-N 0 3 221.304 0.848 20 0 BCADHN CCOC[C@H](C)NC[C@@H]1CCCCS1(=O)=O ZINC000309986410 384766896 /nfs/dbraw/zinc/76/68/96/384766896.db2.gz YKJHHGCIAKRVBH-QWRGUYRKSA-N 0 3 249.376 0.968 20 0 BCADHN COC[C@@H](O)CCN[C@H]1CCCc2n[nH]cc21 ZINC000375809653 384816670 /nfs/dbraw/zinc/81/66/70/384816670.db2.gz UILOUKHQJRDYNB-ONGXEEELSA-N 0 3 239.319 0.774 20 0 BCADHN COC[C@H](O)CCN[C@H]1CCCc2n[nH]cc21 ZINC000375809651 384816988 /nfs/dbraw/zinc/81/69/88/384816988.db2.gz UILOUKHQJRDYNB-KOLCDFICSA-N 0 3 239.319 0.774 20 0 BCADHN COC[C@H](C)N[C@@H](C)C(=O)NCCF ZINC000308579755 384818985 /nfs/dbraw/zinc/81/89/85/384818985.db2.gz GADVDKKXHUSNFE-YUMQZZPRSA-N 0 3 206.261 0.085 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000083939221 384821753 /nfs/dbraw/zinc/82/17/53/384821753.db2.gz GLZNIPPQYYOQBC-QMMMGPOBSA-N 0 3 247.298 0.600 20 0 BCADHN C[C@H](CC(N)=O)NCc1cnn(CC(F)F)c1 ZINC000310071254 384822424 /nfs/dbraw/zinc/82/24/24/384822424.db2.gz AEPFAXOTUQBDNI-SSDOTTSWSA-N 0 3 246.261 0.502 20 0 BCADHN CNCC(=O)N1CC2(C[C@@H]1C)CCOCC2 ZINC000648204230 384837512 /nfs/dbraw/zinc/83/75/12/384837512.db2.gz XVLZVJUOEVNTDF-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN COCCNCC(=O)N[C@H](C)CCC1CC1 ZINC000398153967 384824069 /nfs/dbraw/zinc/82/40/69/384824069.db2.gz HPRGLFQCTKLRKN-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCO[C@H]2C[C@H]21 ZINC000644332993 384825613 /nfs/dbraw/zinc/82/56/13/384825613.db2.gz OYFLYTDRDOMBLH-AEJSXWLSSA-N 0 3 227.308 0.119 20 0 BCADHN C[C@@H]1CC2(CN1C(=O)CN)CCOCC2 ZINC000648204190 384833976 /nfs/dbraw/zinc/83/39/76/384833976.db2.gz VUZYIXDHAIYETP-SECBINFHSA-N 0 3 212.293 0.363 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@@H]1CCN(C2CC2)C1=O ZINC000309737576 384782379 /nfs/dbraw/zinc/78/23/79/384782379.db2.gz CRBJLJJXJKJLCS-INTQDDNPSA-N 0 3 224.304 0.517 20 0 BCADHN C[C@@H]1C[C@H](O)CN(Cc2ccc(C(N)=O)cc2)C1 ZINC000334746892 384782993 /nfs/dbraw/zinc/78/29/93/384782993.db2.gz SGOJXZLPDLCZMM-MFKMUULPSA-N 0 3 248.326 0.988 20 0 BCADHN CS[C@H](CO)[C@@H](C)NCc1cn(C)nc1C ZINC000126252555 384783629 /nfs/dbraw/zinc/78/36/29/384783629.db2.gz RULDVAJGXUQNQQ-MWLCHTKSSA-N 0 3 243.376 0.931 20 0 BCADHN CCN(CC)CC(=O)NCC(O)(CC)CC ZINC000174398081 384787478 /nfs/dbraw/zinc/78/74/78/384787478.db2.gz HFEHGBFRVJJDIT-UHFFFAOYSA-N 0 3 230.352 0.996 20 0 BCADHN COCCN(C[C@H](C)COC)[C@@H](C)C(N)=O ZINC000187194326 384795535 /nfs/dbraw/zinc/79/55/35/384795535.db2.gz YVDYCVQGPIMZKC-UWVGGRQHSA-N 0 3 232.324 0.091 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)NCc1ccncc1 ZINC000163376586 384795948 /nfs/dbraw/zinc/79/59/48/384795948.db2.gz SOCDOXPMEDOOKH-LBPRGKRZSA-N 0 3 249.314 0.466 20 0 BCADHN O=C(CNC[C@H]1CCCO1)Nc1ccccn1 ZINC000163380410 384797577 /nfs/dbraw/zinc/79/75/77/384797577.db2.gz PQMJCVICKFCTDE-SNVBAGLBSA-N 0 3 235.287 0.789 20 0 BCADHN CC[C@@H](C[C@H](C)CO)NCc1cn(C)nn1 ZINC000310033646 384799390 /nfs/dbraw/zinc/79/93/90/384799390.db2.gz SBJXROQWOJSCCL-UWVGGRQHSA-N 0 3 226.324 0.702 20 0 BCADHN CC(C)CN1CCN(C(=O)C2(N)CC2)CC1 ZINC000083834970 384801273 /nfs/dbraw/zinc/80/12/73/384801273.db2.gz ZTJTVIPQPALYDI-UHFFFAOYSA-N 0 3 225.336 0.278 20 0 BCADHN Cc1c(CN[C@H]2C[C@H](O)C2(C)C)cnn1C ZINC000163436894 384805397 /nfs/dbraw/zinc/80/53/97/384805397.db2.gz CDGAJMPDAQGVLQ-QWRGUYRKSA-N 0 3 223.320 0.978 20 0 BCADHN NCC(=O)NCc1ccc2c(c1)OC(F)(F)O2 ZINC000648192330 384809475 /nfs/dbraw/zinc/80/94/75/384809475.db2.gz AEDCSAFRFCKIBL-UHFFFAOYSA-N 0 3 244.197 0.583 20 0 BCADHN Cc1ccn(CC(=O)N[C@@H]2CCN(C3CC3)C2)n1 ZINC000648192710 384809641 /nfs/dbraw/zinc/80/96/41/384809641.db2.gz WOCFLNDGVIUOGI-LLVKDONJSA-N 0 3 248.330 0.544 20 0 BCADHN C[C@@H](CN[C@@H]1CO[C@H](C)C1)S(C)(=O)=O ZINC000647197011 384810497 /nfs/dbraw/zinc/81/04/97/384810497.db2.gz XRIIMAPLISGVCT-VGMNWLOBSA-N 0 3 221.322 0.187 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CCN(C)C2)no1 ZINC000104188708 384811094 /nfs/dbraw/zinc/81/10/94/384811094.db2.gz OGEHFWZSHREYGP-VIFPVBQESA-N 0 3 223.276 0.665 20 0 BCADHN Cc1ccc(CN(C)C)cc1NC(=O)CN ZINC000083903405 384811150 /nfs/dbraw/zinc/81/11/50/384811150.db2.gz XCQIESBPEWEMAO-UHFFFAOYSA-N 0 3 221.304 0.954 20 0 BCADHN CCN(C)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644300641 384811758 /nfs/dbraw/zinc/81/17/58/384811758.db2.gz JDKIKOFQCWPHQO-VHSXEESVSA-N 0 3 211.309 0.694 20 0 BCADHN CNCC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000083905108 384814833 /nfs/dbraw/zinc/81/48/33/384814833.db2.gz GYPQSKOGXXWUFJ-JTQLQIEISA-N 0 3 247.298 0.128 20 0 BCADHN C[C@H](N)C(=O)NCc1nc2ccccc2n1C ZINC000083908947 384815204 /nfs/dbraw/zinc/81/52/04/384815204.db2.gz XJAMXSKLKNQWKN-QMMMGPOBSA-N 0 3 232.287 0.537 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000648195737 384815211 /nfs/dbraw/zinc/81/52/11/384815211.db2.gz XXPJWGKRQFUWBN-VWYCJHECSA-N 0 3 238.331 0.622 20 0 BCADHN COC[C@H](O)CCNCc1cccnc1 ZINC000127481393 384871096 /nfs/dbraw/zinc/87/10/96/384871096.db2.gz DVPIVCIFQHAOCW-LLVKDONJSA-N 0 3 210.277 0.569 20 0 BCADHN C[C@@H](CNCc1nccn1C)N(C)C1CC1 ZINC000163903306 384871526 /nfs/dbraw/zinc/87/15/26/384871526.db2.gz LKDFBLYHKRINAQ-JTQLQIEISA-N 0 3 222.336 0.992 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000517757894 384873907 /nfs/dbraw/zinc/87/39/07/384873907.db2.gz WOYMQVIJYCTDDK-VIFPVBQESA-N 0 3 236.319 0.724 20 0 BCADHN CO[C@]1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643729457 384874399 /nfs/dbraw/zinc/87/43/99/384874399.db2.gz ZIDVZYDRYARHHH-JDVQERKKSA-N 0 3 226.320 0.653 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H]1CCCCO1 ZINC000042823828 384874540 /nfs/dbraw/zinc/87/45/40/384874540.db2.gz FHURZMSSGHHYDA-IUCAKERBSA-N 0 3 200.282 0.409 20 0 BCADHN CN(Cc1ccc(C(N)=O)cc1)CC1(CO)CC1 ZINC000186779150 384879088 /nfs/dbraw/zinc/87/90/88/384879088.db2.gz IDDBCVYPVOQQCP-UHFFFAOYSA-N 0 3 248.326 0.990 20 0 BCADHN Cc1cc(C(=O)N(C)CCN(C)C2CC2)[nH]n1 ZINC000186773675 384881532 /nfs/dbraw/zinc/88/15/32/384881532.db2.gz RGCBLUFEHPSVTD-UHFFFAOYSA-N 0 3 236.319 0.884 20 0 BCADHN Cc1cc(C(=O)N(C)CCN(C)C2CC2)n[nH]1 ZINC000186773675 384881539 /nfs/dbraw/zinc/88/15/39/384881539.db2.gz RGCBLUFEHPSVTD-UHFFFAOYSA-N 0 3 236.319 0.884 20 0 BCADHN CC(C)[C@@H]1C[C@H](NC(=O)CN)CCO1 ZINC000648162166 384882182 /nfs/dbraw/zinc/88/21/82/384882182.db2.gz MNQDIMDUBQUTQL-BDAKNGLRSA-N 0 3 200.282 0.265 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H](CO)CC1 ZINC000339749964 384884265 /nfs/dbraw/zinc/88/42/65/384884265.db2.gz KJJHDOSLXYOCBF-LLVKDONJSA-N 0 3 228.336 0.559 20 0 BCADHN CNC(=O)C1CN(CCC2CCOCC2)C1 ZINC000432788779 384887596 /nfs/dbraw/zinc/88/75/96/384887596.db2.gz MJDBGCYKMIYLCA-UHFFFAOYSA-N 0 3 226.320 0.481 20 0 BCADHN C[C@H](NCc1cn(C)nn1)[C@@H]1CCCOC1 ZINC000309799266 384839197 /nfs/dbraw/zinc/83/91/97/384839197.db2.gz QUVLQQZGNXVMAF-VHSXEESVSA-N 0 3 224.308 0.720 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CC[C@H](O)CC(C)(C)C1 ZINC000336235009 384839735 /nfs/dbraw/zinc/83/97/35/384839735.db2.gz WIWBFRLBTCRIJL-QWRGUYRKSA-N 0 3 242.363 0.946 20 0 BCADHN COC(=O)c1coc(CN[C@@H](C)CCO)c1 ZINC000126917891 384840549 /nfs/dbraw/zinc/84/05/49/384840549.db2.gz XSDNBGRLYUXARW-QMMMGPOBSA-N 0 3 227.260 0.927 20 0 BCADHN CCN(C)C(=O)CN[C@@H](C)C(C)(C)OC ZINC000301033576 384842855 /nfs/dbraw/zinc/84/28/55/384842855.db2.gz VYRZFXTYPMYQTC-VIFPVBQESA-N 0 3 216.325 0.868 20 0 BCADHN Cn1nnc(CNc2ccnc3ccccc32)n1 ZINC000362843344 384843067 /nfs/dbraw/zinc/84/30/67/384843067.db2.gz OYPYECCQYZRBQX-UHFFFAOYSA-N 0 3 240.270 0.792 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)c1cnn(C)c1 ZINC000262652687 384843286 /nfs/dbraw/zinc/84/32/86/384843286.db2.gz AZKMVQZALHSVLQ-NSHDSACASA-N 0 3 224.308 0.900 20 0 BCADHN CCN(C)CCNC(=O)c1cnns1 ZINC000101693993 384844287 /nfs/dbraw/zinc/84/42/87/384844287.db2.gz PDXFVTQSBPLJIW-UHFFFAOYSA-N 0 3 214.294 0.220 20 0 BCADHN CC[C@@H](O)CC(=O)NC[C@H]1CCCN1C ZINC000448974712 384844355 /nfs/dbraw/zinc/84/43/55/384844355.db2.gz CXOJLFMDRYZXMX-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN Cn1cc(CNCCN2CCSCC2)cn1 ZINC000163983474 384888700 /nfs/dbraw/zinc/88/87/00/384888700.db2.gz HOEFUZPRRADVOQ-UHFFFAOYSA-N 0 3 240.376 0.559 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000370781678 384853583 /nfs/dbraw/zinc/85/35/83/384853583.db2.gz QFNAUHXIIDVROI-ZYHUDNBSSA-N 0 3 244.310 0.573 20 0 BCADHN C[C@H](CN1CCOCC1)NCc1cncs1 ZINC000054770601 384853811 /nfs/dbraw/zinc/85/38/11/384853811.db2.gz QCAQRFFXFOVKJW-SNVBAGLBSA-N 0 3 241.360 0.953 20 0 BCADHN CO[C@@H]1C[C@@H](NC(=O)C2(N)CCC2)C1(C)C ZINC000234807132 384859586 /nfs/dbraw/zinc/85/95/86/384859586.db2.gz UBYRZLTURLQGIN-RKDXNWHRSA-N 0 3 226.320 0.798 20 0 BCADHN COC(=O)C1(C(=O)N2CCNC(C)(C)C2)CC1 ZINC000335526139 384863481 /nfs/dbraw/zinc/86/34/81/384863481.db2.gz VJVXBKLXFDFJKB-UHFFFAOYSA-N 0 3 240.303 0.150 20 0 BCADHN CO[C@@H]1C[C@H](NC(=O)[C@@H](C)N)C1(C)C ZINC000225547919 384866396 /nfs/dbraw/zinc/86/63/96/384866396.db2.gz JPDUUEBYKOZYRS-GJMOJQLCSA-N 0 3 200.282 0.263 20 0 BCADHN CC(C)N(C[C@H](C)O)C[C@@H]1CN(C)C(=O)O1 ZINC000497207240 384866415 /nfs/dbraw/zinc/86/64/15/384866415.db2.gz GQPKBNWWBWPEFK-UWVGGRQHSA-N 0 3 230.308 0.528 20 0 BCADHN CO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643729326 384867360 /nfs/dbraw/zinc/86/73/60/384867360.db2.gz WPXNADKXBMESJE-RYPBNFRJSA-N 0 3 212.293 0.263 20 0 BCADHN C[C@H](CC(N)=O)NCc1cnc(N(C)C)s1 ZINC000127464231 384869200 /nfs/dbraw/zinc/86/92/00/384869200.db2.gz LPCFACOOECNIAD-SSDOTTSWSA-N 0 3 242.348 0.563 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)C[C@H]1CCCOC1 ZINC000491879938 384949391 /nfs/dbraw/zinc/94/93/91/384949391.db2.gz BSWKNDDJGFBWOX-DJFZKKHWSA-N 0 3 240.347 0.989 20 0 BCADHN COc1ccc(CCNC(=O)CN)cc1F ZINC000057517311 384949732 /nfs/dbraw/zinc/94/97/32/384949732.db2.gz HOPYEQQJLKNXRM-UHFFFAOYSA-N 0 3 226.251 0.452 20 0 BCADHN COC[C@H](C)N1CCc2n[nH]c(=O)cc2C1 ZINC000408339283 384951211 /nfs/dbraw/zinc/95/12/11/384951211.db2.gz PBMURBHTIBRKNW-QMMMGPOBSA-N 0 3 223.276 0.575 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCC(O)CC2)C1 ZINC000557455796 384952682 /nfs/dbraw/zinc/95/26/82/384952682.db2.gz AAPICRRKKXGFPY-JTQLQIEISA-N 0 3 226.320 0.312 20 0 BCADHN CCC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000156771748 384953494 /nfs/dbraw/zinc/95/34/94/384953494.db2.gz WGNWNALIYUACTG-SECBINFHSA-N 0 3 241.335 0.241 20 0 BCADHN COc1ccc(CN(C)C(=O)CN)c(OC)c1 ZINC000057529355 384954169 /nfs/dbraw/zinc/95/41/69/384954169.db2.gz ITALBMTYGZPSQD-UHFFFAOYSA-N 0 3 238.287 0.621 20 0 BCADHN CCOCCNC(=O)CN(C)CC1CC1 ZINC000084679754 384892110 /nfs/dbraw/zinc/89/21/10/384892110.db2.gz SBXYWWXHNMQGPH-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN CCOC[C@@H](C)N[C@@H]1CC(=O)N(C)C1 ZINC000308651052 384893826 /nfs/dbraw/zinc/89/38/26/384893826.db2.gz KCEODTXJNCPQSE-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN CO[C@@H]1CCCN(C[C@H](O)CC2(O)CCC2)C1 ZINC000528374026 384894247 /nfs/dbraw/zinc/89/42/47/384894247.db2.gz UCGNYUVUTBMCIG-VXGBXAGGSA-N 0 3 243.347 0.763 20 0 BCADHN CN(C)C1(CNC(=O)[C@H]2CC23CC3)CC1 ZINC000421904881 384897351 /nfs/dbraw/zinc/89/73/51/384897351.db2.gz ZXPNDHXYKACCPF-SECBINFHSA-N 0 3 208.305 0.997 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000335542830 384897855 /nfs/dbraw/zinc/89/78/55/384897855.db2.gz QBYQFOGVNSLCIW-ZJUUUORDSA-N 0 3 208.305 0.997 20 0 BCADHN Cc1cnc(NC(=O)C[C@@H]2CNCCO2)s1 ZINC000085618900 384958264 /nfs/dbraw/zinc/95/82/64/384958264.db2.gz HHHMMDJVUPCXNS-MRVPVSSYSA-N 0 3 241.316 0.769 20 0 BCADHN CCN(CCNC(=O)N1CCOCC1)C1CC1 ZINC000101934857 384899371 /nfs/dbraw/zinc/89/93/71/384899371.db2.gz BUECWTBZMYZGCI-UHFFFAOYSA-N 0 3 241.335 0.513 20 0 BCADHN OCCCN(CCc1cnccn1)C1CC1 ZINC000404223879 384958417 /nfs/dbraw/zinc/95/84/17/384958417.db2.gz NXSVFFWPVBKGNG-UHFFFAOYSA-N 0 3 221.304 0.866 20 0 BCADHN CC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)OC ZINC000237021435 384902242 /nfs/dbraw/zinc/90/22/42/384902242.db2.gz WUKJQJAPECJHBV-IUCAKERBSA-N 0 3 230.308 0.428 20 0 BCADHN CCN(CCNC(=O)[C@H]1CCOC1)C1CC1 ZINC000101957313 384904378 /nfs/dbraw/zinc/90/43/78/384904378.db2.gz XYCITOYECAWXAI-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN CN1C[C@H](CN2CC[C@@H](O)C(C)(C)C2)OC1=O ZINC000497246681 384906187 /nfs/dbraw/zinc/90/61/87/384906187.db2.gz QNYZYVIVGGZEKJ-NXEZZACHSA-N 0 3 242.319 0.530 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H](C)CCOC ZINC000102004276 384910873 /nfs/dbraw/zinc/91/08/73/384910873.db2.gz CMHQKONEPWGMLP-JTQLQIEISA-N 0 3 231.340 0.662 20 0 BCADHN CC(C)CCNC(=O)[C@@H](C)N1CC[C@@H](CO)C1 ZINC000225979210 384920582 /nfs/dbraw/zinc/92/05/82/384920582.db2.gz YJXVPKBJUUQMKO-VXGBXAGGSA-N 0 3 242.363 0.851 20 0 BCADHN Cc1cc(C)c(CNC[C@@H](C)O)c(=O)[nH]1 ZINC000644513832 384922636 /nfs/dbraw/zinc/92/26/36/384922636.db2.gz XCGSVPKXPGCRTI-SECBINFHSA-N 0 3 210.277 0.874 20 0 BCADHN C[C@@H](N(C)CC(=O)NC(N)=O)C1(C)CC1 ZINC000177234168 384924133 /nfs/dbraw/zinc/92/41/33/384924133.db2.gz HLHJKQJMQPZBKE-SSDOTTSWSA-N 0 3 213.281 0.302 20 0 BCADHN CS[C@@H](C)CNCc1cnnn1C ZINC000128095791 384925353 /nfs/dbraw/zinc/92/53/53/384925353.db2.gz QYGLWVLLEZAICP-ZETCQYMHSA-N 0 3 200.311 0.656 20 0 BCADHN CC[C@@H]1C[C@H](NC(=O)COC2CNC2)CCO1 ZINC000564942478 384926115 /nfs/dbraw/zinc/92/61/15/384926115.db2.gz KYRUZUJMDZIUCO-NXEZZACHSA-N 0 3 242.319 0.049 20 0 BCADHN CCNC(=O)c1cccc(CNC[C@@H](C)O)c1 ZINC000644522042 384926730 /nfs/dbraw/zinc/92/67/30/384926730.db2.gz WXJLSDQZEMGXMP-SNVBAGLBSA-N 0 3 236.315 0.907 20 0 BCADHN CCNC(=O)c1ccc(CNC[C@@H](C)O)cc1 ZINC000644521484 384927009 /nfs/dbraw/zinc/92/70/09/384927009.db2.gz KRDKYBOHRHYGJN-SNVBAGLBSA-N 0 3 236.315 0.907 20 0 BCADHN COC(=O)CCCN[C@@H](CO)[C@H]1CCCO1 ZINC000309940005 384930361 /nfs/dbraw/zinc/93/03/61/384930361.db2.gz BJRRBMUOKIZSJY-VHSXEESVSA-N 0 3 231.292 0.069 20 0 BCADHN COC(=O)CCCN[C@@H](CO)[C@@H]1CCCO1 ZINC000309940002 384930714 /nfs/dbraw/zinc/93/07/14/384930714.db2.gz BJRRBMUOKIZSJY-UWVGGRQHSA-N 0 3 231.292 0.069 20 0 BCADHN COCc1ccc(CNC[C@@H](O)CO)cc1 ZINC000085246875 384932017 /nfs/dbraw/zinc/93/20/17/384932017.db2.gz UTIMVXVJYFTDBU-GFCCVEGCSA-N 0 3 225.288 0.276 20 0 BCADHN CCC[C@H](N)C(=O)N(C)[C@@H]1CCCCNC1=O ZINC000156705451 384934593 /nfs/dbraw/zinc/93/45/93/384934593.db2.gz IKARIYFDEYBKHW-VHSXEESVSA-N 0 3 241.335 0.241 20 0 BCADHN N[C@@H](C(=O)NC[C@@H]1CCCCO1)C1CCC1 ZINC000331905238 384938319 /nfs/dbraw/zinc/93/83/19/384938319.db2.gz RWNCHOBAINHBMX-WDEREUQCSA-N 0 3 226.320 0.799 20 0 BCADHN CN1CCNC[C@H]1CNCc1ccccc1F ZINC000258826693 384938699 /nfs/dbraw/zinc/93/86/99/384938699.db2.gz CUPCQEJJQOWETK-LBPRGKRZSA-N 0 3 237.322 0.819 20 0 BCADHN C[C@]1(CNC(=O)C2(N)CCCC2)CCOC1 ZINC000336099095 384943294 /nfs/dbraw/zinc/94/32/94/384943294.db2.gz DKIPRVPMCXEJKA-LLVKDONJSA-N 0 3 226.320 0.801 20 0 BCADHN COc1ccc(CNC[C@H]2CNCCO2)cc1 ZINC000258797002 384944153 /nfs/dbraw/zinc/94/41/53/384944153.db2.gz AEXXJPJGERYEKZ-CYBMUJFWSA-N 0 3 236.315 0.773 20 0 BCADHN CSC[C@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368067682 384944236 /nfs/dbraw/zinc/94/42/36/384944236.db2.gz ZVSNAUYHXFDERH-CIUDSAMLSA-N 0 3 234.340 0.802 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000156760455 384960304 /nfs/dbraw/zinc/96/03/04/384960304.db2.gz WPKOCPPOASFCJS-GUBZILKMSA-N 0 3 241.335 0.239 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)Cc1cc[nH]n1 ZINC000491869255 384948174 /nfs/dbraw/zinc/94/81/74/384948174.db2.gz MUDBYZYYTRRZGM-PLNGDYQASA-N 0 3 222.292 0.486 20 0 BCADHN Cn1cc(CNC[C@@H]2CCC[C@H](CO)C2)nn1 ZINC000310307811 384969260 /nfs/dbraw/zinc/96/92/60/384969260.db2.gz SEBCVKTXWVBJGH-MNOVXSKESA-N 0 3 238.335 0.703 20 0 BCADHN CN(CCNC(=O)[C@@H]1C[C@@]12CCOC2)C1CC1 ZINC000364087776 384969298 /nfs/dbraw/zinc/96/92/98/384969298.db2.gz URAOZADSCAPFEN-WCQYABFASA-N 0 3 238.331 0.623 20 0 BCADHN COC[C@](C)(CCO)NCCC(=O)NC(C)C ZINC000085903439 384970416 /nfs/dbraw/zinc/97/04/16/384970416.db2.gz ZSUYTZVGJYCLAU-LBPRGKRZSA-N 0 3 246.351 0.278 20 0 BCADHN CCSCCN[C@H]1CCC(=O)N(C)C1=O ZINC000129014958 384970963 /nfs/dbraw/zinc/97/09/63/384970963.db2.gz CMEVXWOXGCFGCH-QMMMGPOBSA-N 0 3 230.333 0.477 20 0 BCADHN Cc1nnc(NC(=O)[C@@H](N)C2CCC2)s1 ZINC000331972407 384971310 /nfs/dbraw/zinc/97/13/10/384971310.db2.gz LWOHMCUMMULAOK-ZETCQYMHSA-N 0 3 226.305 0.912 20 0 BCADHN CC[C@](C)(CNC[C@H]1CCCS1(=O)=O)OC ZINC000318974363 384972292 /nfs/dbraw/zinc/97/22/92/384972292.db2.gz FFZQNLZJFAIJOO-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCCOCC1CC1 ZINC000226326282 384977954 /nfs/dbraw/zinc/97/79/54/384977954.db2.gz JQUOECFGKCEBFF-SNVBAGLBSA-N 0 3 228.336 0.903 20 0 BCADHN CC(C)(C)[C@H](CO)NCC(=O)N1CCC1 ZINC000331994175 384978030 /nfs/dbraw/zinc/97/80/30/384978030.db2.gz FELFJMMESNAWKI-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)(C)[C@H](NC(=O)CNCC1CC1)C(N)=O ZINC000156822553 384982211 /nfs/dbraw/zinc/98/22/11/384982211.db2.gz DBWYKMWWEFVCQZ-SNVBAGLBSA-N 0 3 241.335 0.002 20 0 BCADHN Cc1ccoc1CNCCCNS(C)(=O)=O ZINC000164417802 384984393 /nfs/dbraw/zinc/98/43/93/384984393.db2.gz DIRGDVPTXIODQB-UHFFFAOYSA-N 0 3 246.332 0.617 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000364095311 384984381 /nfs/dbraw/zinc/98/43/81/384984381.db2.gz HWCLYEMFVAFQAJ-CMPLNLGQSA-N 0 3 226.320 0.481 20 0 BCADHN C[C@@H](O)CNCCn1c2ccccc2[nH]c1=O ZINC000644585574 384985556 /nfs/dbraw/zinc/98/55/56/384985556.db2.gz CCASQMHMTJQHIT-SECBINFHSA-N 0 3 235.287 0.712 20 0 BCADHN CC[C@@H](O)CNCc1ccc(C(N)=O)nc1 ZINC000644586622 384986269 /nfs/dbraw/zinc/98/62/69/384986269.db2.gz BWONYBMERCKSNN-SECBINFHSA-N 0 3 223.276 0.041 20 0 BCADHN C[C@@H]1[C@@H](N[C@@H]2CCSC2)CCS1(=O)=O ZINC000306467599 384986387 /nfs/dbraw/zinc/98/63/87/384986387.db2.gz MLJZYVURGFDGSV-HLTSFMKQSA-N 0 3 235.374 0.657 20 0 BCADHN CO[C@]1(CNCc2ccnn2C)CCOC1 ZINC000156861120 384993860 /nfs/dbraw/zinc/99/38/60/384993860.db2.gz IDMHRIQMKWRRPK-NSHDSACASA-N 0 3 225.292 0.315 20 0 BCADHN COCC[C@H](CO)NCc1cncc(F)c1 ZINC000300854274 384994946 /nfs/dbraw/zinc/99/49/46/384994946.db2.gz LJGUKCWGVQLUAD-LLVKDONJSA-N 0 3 228.267 0.708 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000037041290 384995035 /nfs/dbraw/zinc/99/50/35/384995035.db2.gz UIOUZYLYUGPWNH-VIFPVBQESA-N 0 3 236.275 0.853 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2)C1 ZINC000234928822 384995211 /nfs/dbraw/zinc/99/52/11/384995211.db2.gz NAJWIPFAMSPABA-AXFHLTTASA-N 0 3 226.320 0.812 20 0 BCADHN CC[C@H](COC)N[C@@H]1CC(=O)N(C)C1 ZINC000308702516 384997014 /nfs/dbraw/zinc/99/70/14/384997014.db2.gz VLHYAYFDSLTWAB-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN O=C1C[C@H](CNCc2ccns2)CN1 ZINC000404455679 384998049 /nfs/dbraw/zinc/99/80/49/384998049.db2.gz VOIVPROUTXPJCX-SSDOTTSWSA-N 0 3 211.290 0.369 20 0 BCADHN COCCN(C)CCNCc1ccns1 ZINC000404454262 384998848 /nfs/dbraw/zinc/99/88/48/384998848.db2.gz KSXUFAIULRTIMJ-UHFFFAOYSA-N 0 3 229.349 0.811 20 0 BCADHN CC[C@H](NC(=O)C1(N)CCCCC1)C(=O)OC ZINC000236985622 385000692 /nfs/dbraw/zinc/00/06/92/385000692.db2.gz QRCWAYZMHRRINK-VIFPVBQESA-N 0 3 242.319 0.716 20 0 BCADHN CN(CCn1cccn1)C[C@@H]1CCCO1 ZINC000058396377 385002183 /nfs/dbraw/zinc/00/21/83/385002183.db2.gz QRVQQTGAMGIAHM-NSHDSACASA-N 0 3 209.293 0.994 20 0 BCADHN OC1(CNCc2ccc(F)cn2)CCOCC1 ZINC000644600216 385003751 /nfs/dbraw/zinc/00/37/51/385003751.db2.gz MGEVECLALYWULZ-UHFFFAOYSA-N 0 3 240.278 0.852 20 0 BCADHN COC[C@@](C)(CCO)NCC(=O)NCC(C)C ZINC000177406061 385004700 /nfs/dbraw/zinc/00/47/00/385004700.db2.gz NVCOXUAXTWNRTQ-GFCCVEGCSA-N 0 3 246.351 0.136 20 0 BCADHN CC(C)(O)[C@H]1CCCN1CC(=O)NC1CC1 ZINC000136249697 385007271 /nfs/dbraw/zinc/00/72/71/385007271.db2.gz CXCLQDQNSPWDKF-SNVBAGLBSA-N 0 3 226.320 0.500 20 0 BCADHN N[C@H](C(=O)N1CCCOCC1)C1CCC1 ZINC000335652787 385008258 /nfs/dbraw/zinc/00/82/58/385008258.db2.gz BBIKVIUPRQMUNM-JTQLQIEISA-N 0 3 212.293 0.363 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCN1CCSCC1 ZINC000226389307 385009031 /nfs/dbraw/zinc/00/90/31/385009031.db2.gz BJYHQMLESOQFGK-SNVBAGLBSA-N 0 3 245.392 0.135 20 0 BCADHN COC[C@H](O)CNCc1cc(C)ns1 ZINC000404479546 385009652 /nfs/dbraw/zinc/00/96/52/385009652.db2.gz BJUKRBFEEWBIBY-MRVPVSSYSA-N 0 3 216.306 0.548 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1cncs1 ZINC000129620980 385011194 /nfs/dbraw/zinc/01/11/94/385011194.db2.gz IBPCIYAAMXNBON-YUMQZZPRSA-N 0 3 216.306 0.801 20 0 BCADHN CC(C(N)=O)S(=O)(=O)CC1CCCCC1 ZINC000058483776 385011550 /nfs/dbraw/zinc/01/15/50/385011550.db2.gz QUPMKRWLPHCRLG-MRVPVSSYSA-N 0 3 233.333 0.855 20 0 BCADHN CN1Cc2ccccc2[C@@H](NCCC(N)=O)C1 ZINC000644609870 385011560 /nfs/dbraw/zinc/01/15/60/385011560.db2.gz NDAJMQDQXPKTLE-LBPRGKRZSA-N 0 3 233.315 0.638 20 0 BCADHN C[C@@H](N[C@@H](C)c1ccccc1)C(=O)NC(N)=O ZINC000058486545 385011870 /nfs/dbraw/zinc/01/18/70/385011870.db2.gz NGWWAHCWGYHJEV-DTWKUNHWSA-N 0 3 235.287 0.921 20 0 BCADHN CCC[C@H](C)[C@@H](CO)NCC(=O)N(C)C ZINC000518382814 385023077 /nfs/dbraw/zinc/02/30/77/385023077.db2.gz DDFIWHJQSOQAGC-VHSXEESVSA-N 0 3 216.325 0.461 20 0 BCADHN CC[C@@H](N)C(=O)NCC[C@@H](O)C(C)C ZINC000129910339 385013283 /nfs/dbraw/zinc/01/32/83/385013283.db2.gz BWSZKYSAGQWOMU-RKDXNWHRSA-N 0 3 202.298 0.247 20 0 BCADHN COCCNCCNC(=O)[C@@]1(C)CC1(F)F ZINC000646905104 385014992 /nfs/dbraw/zinc/01/49/92/385014992.db2.gz AAILXKLCRKDQHB-SECBINFHSA-N 0 3 236.262 0.384 20 0 BCADHN Cn1nncc1CNC1(CO)CCCC1 ZINC000129814507 385015201 /nfs/dbraw/zinc/01/52/01/385015201.db2.gz YABHDXXHFWQWPR-UHFFFAOYSA-N 0 3 210.281 0.210 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@@H]1CC(=O)N(C)C1 ZINC000308705074 385016281 /nfs/dbraw/zinc/01/62/81/385016281.db2.gz WNRULRIHRUUEBK-IWSPIJDZSA-N 0 3 200.282 0.230 20 0 BCADHN O[C@@H](CN[C@@H]1CCn2ccnc2C1)C(F)(F)F ZINC000644625776 385020330 /nfs/dbraw/zinc/02/03/30/385020330.db2.gz SCPBDUUYESZXPX-SFYZADRCSA-N 0 3 249.236 0.711 20 0 BCADHN C[C@H](CNC(=O)Cn1cccn1)N(C)C1CC1 ZINC000057714686 384963195 /nfs/dbraw/zinc/96/31/95/384963195.db2.gz RJSURSWWXBKJOM-SNVBAGLBSA-N 0 3 236.319 0.482 20 0 BCADHN COC(C)(C)CN(C)C(=O)C[C@@H]1CNCCO1 ZINC000404242740 384963563 /nfs/dbraw/zinc/96/35/63/384963563.db2.gz QWMOAPGQPCMSNT-SNVBAGLBSA-N 0 3 244.335 0.248 20 0 BCADHN O[C@@H](CN[C@H]1CCn2ccnc2C1)C(F)(F)F ZINC000644625777 385020995 /nfs/dbraw/zinc/02/09/95/385020995.db2.gz SCPBDUUYESZXPX-YUMQZZPRSA-N 0 3 249.236 0.711 20 0 BCADHN Cc1ccc(C(=O)N2CCCN(C)CC2)c(=O)[nH]1 ZINC000407978676 385048016 /nfs/dbraw/zinc/04/80/16/385048016.db2.gz CYBACKOJGZKQDE-UHFFFAOYSA-N 0 3 249.314 0.873 20 0 BCADHN C[C@H](N[C@@H]1COCC1(C)C)C(=O)N(C)C ZINC000312990256 385050046 /nfs/dbraw/zinc/05/00/46/385050046.db2.gz CIKDFYOALZANGK-DTWKUNHWSA-N 0 3 214.309 0.478 20 0 BCADHN CCN1CC[C@H](NC[C@H](O)CCC(C)C)C1=O ZINC000644642928 385050396 /nfs/dbraw/zinc/05/03/96/385050396.db2.gz SSVVXFYMYMRGLR-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)n1cc(C(=O)NCCN(C)C)cn1 ZINC000188448305 385053087 /nfs/dbraw/zinc/05/30/87/385053087.db2.gz RSJRRCQBQBQUGO-UHFFFAOYSA-N 0 3 224.308 0.755 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCCN(C)CC1 ZINC000037481302 385053689 /nfs/dbraw/zinc/05/36/89/385053689.db2.gz MCZAQVOSFOIWII-GFCCVEGCSA-N 0 3 227.352 0.668 20 0 BCADHN CC[C@@H](O)CN[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000644645550 385053738 /nfs/dbraw/zinc/05/37/38/385053738.db2.gz BVMSUQNGBARNMP-RKDXNWHRSA-N 0 3 235.349 0.313 20 0 BCADHN COC[C@H](N[C@@H]1CO[C@H](C)C1)[C@@H]1CCCO1 ZINC000647207537 385054537 /nfs/dbraw/zinc/05/45/37/385054537.db2.gz ZPBXXGAHEYDNAQ-RHYQMDGZSA-N 0 3 229.320 0.947 20 0 BCADHN CNCC(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000037495182 385056081 /nfs/dbraw/zinc/05/60/81/385056081.db2.gz MWPZOFVPHQWYMT-UHFFFAOYSA-N 0 3 249.314 0.260 20 0 BCADHN CCOCC[C@H](O)CNCc1cncn1C ZINC000644649543 385057035 /nfs/dbraw/zinc/05/70/35/385057035.db2.gz ZFOPMTSUQLFTCX-NSHDSACASA-N 0 3 227.308 0.297 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@]3(C)CCOC3)[C@@H]2C1 ZINC000646916321 385057064 /nfs/dbraw/zinc/05/70/64/385057064.db2.gz FYIAJYJYIHIUCN-DMDPSCGWSA-N 0 3 238.331 0.576 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@]1(C)CCCCN1 ZINC000272993705 385059280 /nfs/dbraw/zinc/05/92/80/385059280.db2.gz QQWJJWXWKVULBC-LBPRGKRZSA-N 0 3 236.319 0.867 20 0 BCADHN CC(C)CC[C@@H](O)CNC1COCCOC1 ZINC000644652406 385060032 /nfs/dbraw/zinc/06/00/32/385060032.db2.gz JIRBLCLFWQDMBX-GFCCVEGCSA-N 0 3 231.336 0.789 20 0 BCADHN CC(C)OCC[C@@H](O)CNC1COCCOC1 ZINC000644652461 385060150 /nfs/dbraw/zinc/06/01/50/385060150.db2.gz PCOOEWDFXDDOGR-GFCCVEGCSA-N 0 3 247.335 0.167 20 0 BCADHN COC1(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)CCC1 ZINC000646924091 385060190 /nfs/dbraw/zinc/06/01/90/385060190.db2.gz APXUNPXPFRXNCV-GHMZBOCLSA-N 0 3 238.331 0.718 20 0 BCADHN COC1(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)CCC1 ZINC000646924093 385060864 /nfs/dbraw/zinc/06/08/64/385060864.db2.gz APXUNPXPFRXNCV-QWRGUYRKSA-N 0 3 238.331 0.718 20 0 BCADHN CO[C@H](C(=O)N1CC[C@H]2CN(C)C[C@@H]21)C1CC1 ZINC000646920619 385061599 /nfs/dbraw/zinc/06/15/99/385061599.db2.gz SOBHWFAEZPMAPL-SRVKXCTJSA-N 0 3 238.331 0.574 20 0 BCADHN CCn1ccnc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646912150 385064405 /nfs/dbraw/zinc/06/44/05/385064405.db2.gz NYAYRCSFOIAONU-MNOVXSKESA-N 0 3 248.330 0.679 20 0 BCADHN CCO[C@H](CC)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646913453 385066154 /nfs/dbraw/zinc/06/61/54/385066154.db2.gz GVDFEQVHVXSKMQ-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CCCCN(C)CCNC(=O)N[C@H](C)CO ZINC000304068970 385066644 /nfs/dbraw/zinc/06/66/44/385066644.db2.gz UWWNXRMOQBZPJO-SNVBAGLBSA-N 0 3 231.340 0.398 20 0 BCADHN CN1C[C@H]2CCN(C(=O)CCc3ncc[nH]3)[C@H]2C1 ZINC000646940987 385068679 /nfs/dbraw/zinc/06/86/79/385068679.db2.gz RALRRKPYDOESDQ-MNOVXSKESA-N 0 3 248.330 0.505 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)CCc3ncc[nH]3)[C@@H]2C1 ZINC000646940989 385069510 /nfs/dbraw/zinc/06/95/10/385069510.db2.gz RALRRKPYDOESDQ-WDEREUQCSA-N 0 3 248.330 0.505 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000646941368 385069977 /nfs/dbraw/zinc/06/99/77/385069977.db2.gz YMXAJBGGFIXGSS-RYUDHWBXSA-N 0 3 239.363 0.491 20 0 BCADHN COC[C@H](CCO)NCc1[nH]ncc1C ZINC000289635978 385070346 /nfs/dbraw/zinc/07/03/46/385070346.db2.gz XGGJLPLVSJXNSF-VIFPVBQESA-N 0 3 213.281 0.205 20 0 BCADHN Cc1cc(CC(=O)N2CC[C@@H]3CN(C)C[C@H]32)no1 ZINC000646941023 385070513 /nfs/dbraw/zinc/07/05/13/385070513.db2.gz RONJVMVBGOXQKG-ZYHUDNBSSA-N 0 3 249.314 0.688 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3(C)COC3)[C@H]2C1 ZINC000646915126 385071134 /nfs/dbraw/zinc/07/11/34/385071134.db2.gz KEYZFVVYZZFESY-ZJUUUORDSA-N 0 3 224.304 0.185 20 0 BCADHN CN(C)CC(C)(C)NC(=O)N[C@@H]1CCOC1 ZINC000308754277 385072555 /nfs/dbraw/zinc/07/25/55/385072555.db2.gz PWRCEODUUXMGAB-SECBINFHSA-N 0 3 229.324 0.415 20 0 BCADHN Oc1ccc(CN[C@H]2COC[C@H]2O)cc1 ZINC000163469648 385073804 /nfs/dbraw/zinc/07/38/04/385073804.db2.gz INNPEDXDSZBRJM-WDEREUQCSA-N 0 3 209.245 0.242 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646931297 385075707 /nfs/dbraw/zinc/07/57/07/385075707.db2.gz ZXTORLXLPOOHKL-VXGBXAGGSA-N 0 3 239.363 0.491 20 0 BCADHN CN(C)[C@]1(CNCc2ncc[nH]2)CCSC1 ZINC000165175343 385076518 /nfs/dbraw/zinc/07/65/18/385076518.db2.gz UHEJLMPRMDWNOZ-NSHDSACASA-N 0 3 240.376 0.937 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3(O)CCC3)[C@H]2C1 ZINC000646934169 385078687 /nfs/dbraw/zinc/07/86/87/385078687.db2.gz PDMYGCUZZOUJJV-ZJUUUORDSA-N 0 3 224.304 0.064 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccc[nH]c3=O)[C@H]2C1 ZINC000646934954 385079619 /nfs/dbraw/zinc/07/96/19/385079619.db2.gz YFPIQXJZOHITFD-KOLCDFICSA-N 0 3 247.298 0.563 20 0 BCADHN CC(C)(O)[C@H]1CCCN1CCCS(C)(=O)=O ZINC000407947748 385082030 /nfs/dbraw/zinc/08/20/30/385082030.db2.gz DRCOOSVZTHFTIO-SNVBAGLBSA-N 0 3 249.376 0.656 20 0 BCADHN COC[C@@H](O)CCNCc1cc(C)ns1 ZINC000404500530 385023665 /nfs/dbraw/zinc/02/36/65/385023665.db2.gz WTDWUVRCGGMECP-VIFPVBQESA-N 0 3 230.333 0.939 20 0 BCADHN Cc1n[nH]cc1CN[C@@H](C)CC(=O)N(C)C ZINC000130135998 385024756 /nfs/dbraw/zinc/02/47/56/385024756.db2.gz SWMZMZQIJYMTTD-QMMMGPOBSA-N 0 3 224.308 0.675 20 0 BCADHN CN(CCOCCO)CCC(C)(C)O ZINC000300884595 385025418 /nfs/dbraw/zinc/02/54/18/385025418.db2.gz BTDUYTFLVZKJAD-UHFFFAOYSA-N 0 3 205.298 0.088 20 0 BCADHN C[C@@H](NCCNC(=O)C1CC1)c1cnn(C)c1 ZINC000128328357 385027437 /nfs/dbraw/zinc/02/74/37/385027437.db2.gz RSZYFUFOGXTBAM-SECBINFHSA-N 0 3 236.319 0.597 20 0 BCADHN COC(=O)C(C)(C)CNCc1cnn(C)c1 ZINC000086594059 385030278 /nfs/dbraw/zinc/03/02/78/385030278.db2.gz GCRRYIVIDJSPQT-UHFFFAOYSA-N 0 3 225.292 0.709 20 0 BCADHN C[C@H](NC(=O)[C@H]1C[C@H](F)CN1)C1CC1 ZINC000188261793 385030834 /nfs/dbraw/zinc/03/08/34/385030834.db2.gz 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ZINC000246201697 385125561 /nfs/dbraw/zinc/12/55/61/385125561.db2.gz MTEBLEYYLDQOIF-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN COC(=O)CNC(=O)[C@H](CN)c1ccccc1 ZINC000061611863 385125673 /nfs/dbraw/zinc/12/56/73/385125673.db2.gz VJONBGUCATVXMK-SNVBAGLBSA-N 0 3 236.271 0.018 20 0 BCADHN COC[C@](C)(CCO)NCc1ccnn1C ZINC000165445787 385127173 /nfs/dbraw/zinc/12/71/73/385127173.db2.gz MYPCTJABOXZZMC-NSHDSACASA-N 0 3 227.308 0.297 20 0 BCADHN COC[C@@](C)(CCO)NCc1cccnc1 ZINC000165448205 385128027 /nfs/dbraw/zinc/12/80/27/385128027.db2.gz NPVASQRCSPQSQF-GFCCVEGCSA-N 0 3 224.304 0.959 20 0 BCADHN CO[C@H](CN)C(=O)N1CCc2ccc(F)cc21 ZINC000227412823 385142133 /nfs/dbraw/zinc/14/21/33/385142133.db2.gz PJGROHMCKCJPMQ-LLVKDONJSA-N 0 3 238.262 0.689 20 0 BCADHN CC[C@H](C)CN(CC)CCNS(C)(=O)=O ZINC000177855774 385130440 /nfs/dbraw/zinc/13/04/40/385130440.db2.gz QEWCFWDWLOQQKW-JTQLQIEISA-N 0 3 236.381 0.904 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000227355042 385130747 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/nfs/dbraw/zinc/13/72/11/385137211.db2.gz BOIGUNMSOPLROA-UWVGGRQHSA-N 0 3 232.349 0.410 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCC[C@](C)(O)C2)C1 ZINC000557664282 385085447 /nfs/dbraw/zinc/08/54/47/385085447.db2.gz QGXWBVDOXGMJHI-AAEUAGOBSA-N 0 3 240.347 0.702 20 0 BCADHN CS[C@H](C)C(=O)N(C)CCN(C)C ZINC000177679280 385088062 /nfs/dbraw/zinc/08/80/62/385088062.db2.gz WWPZHMMJMIIARB-MRVPVSSYSA-N 0 3 204.339 0.758 20 0 BCADHN C[C@@H](NC[C@]1(O)CCOC1)c1cncs1 ZINC000131489699 385091075 /nfs/dbraw/zinc/09/10/75/385091075.db2.gz LTDRTRSRFSKSGO-PSASIEDQSA-N 0 3 228.317 0.945 20 0 BCADHN CCS(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115586192 385092049 /nfs/dbraw/zinc/09/20/49/385092049.db2.gz QIMMZJUDOPERJY-SNVBAGLBSA-N 0 3 234.365 0.610 20 0 BCADHN C[C@H](C(=O)N(C)Cc1nnc[nH]1)N1CC(C)C1 ZINC000557680492 385092358 /nfs/dbraw/zinc/09/23/58/385092358.db2.gz FLKZAJZHOZWMKD-SECBINFHSA-N 0 3 237.307 0.103 20 0 BCADHN Cc1cc(CC(=O)N2CCN[C@H](C)[C@H]2C)no1 ZINC000262742737 385092792 /nfs/dbraw/zinc/09/27/92/385092792.db2.gz FDHOOFDASNOYRG-NXEZZACHSA-N 0 3 237.303 0.734 20 0 BCADHN Cc1nc(CN2CCc3c[nH]nc3C2)n[nH]1 ZINC000644679010 385093746 /nfs/dbraw/zinc/09/37/46/385093746.db2.gz SAKNCEDTDMQFHU-UHFFFAOYSA-N 0 3 218.264 0.395 20 0 BCADHN COC(=O)CCCN1C[C@@H](O)C[C@H]1C ZINC000340915327 385096394 /nfs/dbraw/zinc/09/63/94/385096394.db2.gz SHLDNUDKZUMJAX-BDAKNGLRSA-N 0 3 201.266 0.395 20 0 BCADHN C[C@@H](CO[C@@H]1CCOC1)NCc1cncn1C ZINC000151243634 385097442 /nfs/dbraw/zinc/09/74/42/385097442.db2.gz DRIJEHBDGKZLAI-CMPLNLGQSA-N 0 3 239.319 0.704 20 0 BCADHN CC(=O)C1(C(=O)NC[C@@H]2CCCN(C)C2)CC1 ZINC000559648577 385107806 /nfs/dbraw/zinc/10/78/06/385107806.db2.gz BIQRTDPZWLUKCC-NSHDSACASA-N 0 3 238.331 0.814 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCc2ccncc21 ZINC000648170305 385184861 /nfs/dbraw/zinc/18/48/61/385184861.db2.gz NZIXQHKDXXHYKU-NSHDSACASA-N 0 3 231.299 0.969 20 0 BCADHN CC(C)n1cncc1CNCCc1nnnn1C ZINC000643770605 385184999 /nfs/dbraw/zinc/18/49/99/385184999.db2.gz 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0 3 249.362 0.995 20 0 BCADHN C[C@@](O)(CN[C@@H]1CCOC1)c1ccco1 ZINC000088735080 385144102 /nfs/dbraw/zinc/14/41/02/385144102.db2.gz YLSALPQMGHHVPH-MWLCHTKSSA-N 0 3 211.261 0.866 20 0 BCADHN COC(=O)NCCCC(=O)N(C)CCN(C)C ZINC000176811146 385147538 /nfs/dbraw/zinc/14/75/38/385147538.db2.gz NMUUWQVBTRFBRT-UHFFFAOYSA-N 0 3 245.323 0.143 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccc[nH]c1=O ZINC000176812989 385147701 /nfs/dbraw/zinc/14/77/01/385147701.db2.gz XIPJSARGMGGURB-UHFFFAOYSA-N 0 3 223.276 0.421 20 0 BCADHN C[C@@H](CSc1nc(N)cc(N)n1)N(C)C ZINC000308835657 385200138 /nfs/dbraw/zinc/20/01/38/385200138.db2.gz LCNNRUPEGVHZBR-LURJTMIESA-N 0 3 227.337 0.683 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)[nH]n1 ZINC000262846035 385200168 /nfs/dbraw/zinc/20/01/68/385200168.db2.gz YMQIXQXVVWZUPY-DTWKUNHWSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)n[nH]1 ZINC000262846035 385200177 /nfs/dbraw/zinc/20/01/77/385200177.db2.gz YMQIXQXVVWZUPY-DTWKUNHWSA-N 0 3 222.292 0.541 20 0 BCADHN C[C@@H](CC(N)=O)N[C@H](CO)c1ccccc1 ZINC000304720095 385152050 /nfs/dbraw/zinc/15/20/50/385152050.db2.gz OHOQOMMLQOINQV-GXSJLCMTSA-N 0 3 222.288 0.574 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000336355660 385153306 /nfs/dbraw/zinc/15/33/06/385153306.db2.gz FQFOQFMLWBCNFY-DGCLKSJQSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H]1CCN(Cc2ccnc(N)c2)C[C@@H]1O ZINC000230340733 385156782 /nfs/dbraw/zinc/15/67/82/385156782.db2.gz NBLXNMJYCZJIEV-ONGXEEELSA-N 0 3 221.304 0.867 20 0 BCADHN CC[C@@H](CO)N(C)CC[C@@H]1CCS(=O)(=O)C1 ZINC000647026101 385159892 /nfs/dbraw/zinc/15/98/92/385159892.db2.gz GBLAMNYTVVQGAL-MNOVXSKESA-N 0 3 249.376 0.514 20 0 BCADHN C[C@@H](O)CN1CCN(Cc2cccnc2)[C@H](C)C1 ZINC000189549517 385165655 /nfs/dbraw/zinc/16/56/55/385165655.db2.gz CSVPASBENBMWKN-CHWSQXEVSA-N 0 3 249.358 0.969 20 0 BCADHN CN(CCO)C[C@@H](O)c1ccc(F)cc1 ZINC000062350591 385170256 /nfs/dbraw/zinc/17/02/56/385170256.db2.gz HQLDHXYFLNZSRO-LLVKDONJSA-N 0 3 213.252 0.783 20 0 BCADHN CC(C)(C)CN(CCCO)CC(=O)NC1CC1 ZINC000303989558 385173854 /nfs/dbraw/zinc/17/38/54/385173854.db2.gz KSSFROLSCOQDCM-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)(C)NC(=O)CN1CC[C@H](CC(N)=O)C1 ZINC000367992868 385175166 /nfs/dbraw/zinc/17/51/66/385175166.db2.gz GLGGRRPYBHLWST-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccn(CC(F)F)n1 ZINC000119870267 385177863 /nfs/dbraw/zinc/17/78/63/385177863.db2.gz GBUUHOGSMTYEOW-RXMQYKEDSA-N 0 3 218.207 0.434 20 0 BCADHN CC[C@@H](C(N)=O)N(C)CC1CCOCC1 ZINC000107065141 385179184 /nfs/dbraw/zinc/17/91/84/385179184.db2.gz DPAYBRHCYJLUIT-JTQLQIEISA-N 0 3 214.309 0.609 20 0 BCADHN Cc1c[nH]nc1CNCC[C@@H](C)[S@@](C)=O ZINC000308846910 385206153 /nfs/dbraw/zinc/20/61/53/385206153.db2.gz MORJDBDUAMVHGC-RFAUZJTJSA-N 0 3 229.349 0.965 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)c1ccccc1 ZINC000152724143 385208887 /nfs/dbraw/zinc/20/88/87/385208887.db2.gz PTDFYADYIAEJHM-ZDUSSCGKSA-N 0 3 236.315 0.729 20 0 BCADHN CCN(C)CCNC(=O)CCc1nc(C)no1 ZINC000110110107 385210687 /nfs/dbraw/zinc/21/06/87/385210687.db2.gz CSBFKMHPPUPYIC-UHFFFAOYSA-N 0 3 240.307 0.379 20 0 BCADHN CN1C[C@H]2CCN(CC(=O)NCC3CC3)[C@@H]2C1 ZINC000644730323 385256306 /nfs/dbraw/zinc/25/63/06/385256306.db2.gz UYXLSGGEEQMSPS-VXGBXAGGSA-N 0 3 237.347 0.149 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C1=COCCC1 ZINC000152808656 385215925 /nfs/dbraw/zinc/21/59/25/385215925.db2.gz IYIATZCTJCYQRG-LBPRGKRZSA-N 0 3 242.319 0.110 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCCCn1ccnc1 ZINC000020506377 385219618 /nfs/dbraw/zinc/21/96/18/385219618.db2.gz XGKSROQACYCRAA-LLVKDONJSA-N 0 3 238.335 0.763 20 0 BCADHN CC[C@H](N)C(=O)N(CC)Cc1cnn(C)c1 ZINC000166077116 385220050 /nfs/dbraw/zinc/22/00/50/385220050.db2.gz LGIOVULQTRWPBV-JTQLQIEISA-N 0 3 224.308 0.506 20 0 BCADHN C[C@@H]1OCC[C@H]1N[C@@H]1CCCCNC1=O ZINC000120079124 385220417 /nfs/dbraw/zinc/22/04/17/385220417.db2.gz VXBBXZFQDIILJJ-IVZWLZJFSA-N 0 3 212.293 0.422 20 0 BCADHN CC[C@H]1CCN(C(=O)CN2CCNCC2)C1 ZINC000166149961 385223346 /nfs/dbraw/zinc/22/33/46/385223346.db2.gz WDIJDONZSOBYPJ-NSHDSACASA-N 0 3 225.336 0.150 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726819 385223970 /nfs/dbraw/zinc/22/39/70/385223970.db2.gz BHRGUWZZGCNCMC-WPRPVWTQSA-N 0 3 211.309 0.077 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)c1ccncc1 ZINC000152986524 385228360 /nfs/dbraw/zinc/22/83/60/385228360.db2.gz WEXDGRDTIHVKMR-LBPRGKRZSA-N 0 3 237.303 0.124 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)c1cscn1 ZINC000153011730 385229410 /nfs/dbraw/zinc/22/94/10/385229410.db2.gz VWCLVDFITUAMHE-SNVBAGLBSA-N 0 3 243.332 0.186 20 0 BCADHN C[C@@H]1[C@H](N[C@H]2CCN(C)C2=O)CCCN1C ZINC000309366293 385231496 /nfs/dbraw/zinc/23/14/96/385231496.db2.gz BFUUBSOOYGMFJB-MXWKQRLJSA-N 0 3 225.336 0.289 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)c1cnns1 ZINC000647075979 385232571 /nfs/dbraw/zinc/23/25/71/385232571.db2.gz KRLSWRZWYKKWHK-LURJTMIESA-N 0 3 248.258 0.265 20 0 BCADHN C[C@H](N)C(=O)N(C)CCCn1ccnc1 ZINC000157640497 385237738 /nfs/dbraw/zinc/23/77/38/385237738.db2.gz NRNDDDMVMQJBPI-VIFPVBQESA-N 0 3 210.281 0.079 20 0 BCADHN COC(=O)[C@@]1(C)CCN(CCn2cccn2)C1 ZINC000177420403 385239503 /nfs/dbraw/zinc/23/95/03/385239503.db2.gz PRBHKZUUSBNBAT-LBPRGKRZSA-N 0 3 237.303 0.768 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC[C@H](O)c1ccccc1 ZINC000294845636 385257555 /nfs/dbraw/zinc/25/75/55/385257555.db2.gz ULONITIYZLRSTK-GWCFXTLKSA-N 0 3 248.326 0.977 20 0 BCADHN CCNC(=O)C(C)(C)NCCn1cc(C)cn1 ZINC000313043513 385240725 /nfs/dbraw/zinc/24/07/25/385240725.db2.gz HJSOGRACHUDYDK-UHFFFAOYSA-N 0 3 238.335 0.696 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000157658414 385241336 /nfs/dbraw/zinc/24/13/36/385241336.db2.gz JYGYQHPNMBSGRK-NXEZZACHSA-N 0 3 226.320 0.942 20 0 BCADHN Cc1cn[nH]c1CN[C@@H](C)CS(C)(=O)=O ZINC000308877681 385242453 /nfs/dbraw/zinc/24/24/53/385242453.db2.gz SRYKTCKSUPWKED-QMMMGPOBSA-N 0 3 231.321 0.241 20 0 BCADHN NS(=O)(=O)CCCN1CC2CCC1CC2 ZINC000308888120 385242860 /nfs/dbraw/zinc/24/28/60/385242860.db2.gz GRUCVPBLLUVMHD-UHFFFAOYSA-N 0 3 232.349 0.539 20 0 BCADHN CCONC(=O)N1CCCN(CC)CC1 ZINC000166435358 385245151 /nfs/dbraw/zinc/24/51/51/385245151.db2.gz FNXYSJRMWMETPT-UHFFFAOYSA-N 0 3 215.297 0.675 20 0 BCADHN CSC[C@@H](C)C(=O)NCCN(C)C ZINC000109022903 385246668 /nfs/dbraw/zinc/24/66/68/385246668.db2.gz ZQYZFSRGOYEMDU-MRVPVSSYSA-N 0 3 204.339 0.663 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2cnccn2)CCN1 ZINC000062617078 385246990 /nfs/dbraw/zinc/24/69/90/385246990.db2.gz OSJKATWFLWIELQ-NSHDSACASA-N 0 3 234.303 0.547 20 0 BCADHN COC(=O)[C@@H]1CCN(CCn2cccn2)C1 ZINC000109119922 385250178 /nfs/dbraw/zinc/25/01/78/385250178.db2.gz OOANOEMJHSRXDF-SNVBAGLBSA-N 0 3 223.276 0.378 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000190698275 385257967 /nfs/dbraw/zinc/25/79/67/385257967.db2.gz GVDXFRSEUUIRTE-ZJUUUORDSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](N)C(=O)NCCN1c2ccccc2C[C@@H]1C ZINC000166521223 385250903 /nfs/dbraw/zinc/25/09/03/385250903.db2.gz CDXHWMRSKGDSQY-QWRGUYRKSA-N 0 3 247.342 0.901 20 0 BCADHN CC[C@@H](N)C(=O)N1CCCn2nccc21 ZINC000648151782 385252440 /nfs/dbraw/zinc/25/24/40/385252440.db2.gz NLBXBXZCQLIKBA-MRVPVSSYSA-N 0 3 208.265 0.357 20 0 BCADHN Cn1ccnc1CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644730467 385255351 /nfs/dbraw/zinc/25/53/51/385255351.db2.gz VSNIGFMKXSVOSF-WDEREUQCSA-N 0 3 220.320 0.556 20 0 BCADHN C[C@@H](O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000335861266 385302308 /nfs/dbraw/zinc/30/23/08/385302308.db2.gz YMKOJLZNCVZQGL-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@@H]1OCC[C@@]1(O)CNCc1cncn1C ZINC000227978107 385302570 /nfs/dbraw/zinc/30/25/70/385302570.db2.gz XHODJZGYPWTYOL-GXSJLCMTSA-N 0 3 225.292 0.050 20 0 BCADHN COC(=O)[C@@H](C)CN(C)Cc1ccnc(N)c1 ZINC000191450223 385302900 /nfs/dbraw/zinc/30/29/00/385302900.db2.gz GNDISLBCRJYNFF-VIFPVBQESA-N 0 3 237.303 0.905 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)[C@H]1COCCO1 ZINC000178597855 385307413 /nfs/dbraw/zinc/30/74/13/385307413.db2.gz FMCPNHQRWCEVHV-LLVKDONJSA-N 0 3 244.335 0.200 20 0 BCADHN CC[C@@H](C(=O)N(C)Cc1cnccn1)N(C)C ZINC000177955625 385309897 /nfs/dbraw/zinc/30/98/97/385309897.db2.gz BVKHXEWVUUVQAY-NSHDSACASA-N 0 3 236.319 0.775 20 0 BCADHN CC(C)(C)OCCN1CCC[C@](O)(CO)C1 ZINC000313640913 385311722 /nfs/dbraw/zinc/31/17/22/385311722.db2.gz YKBJEWSZNSHKAB-GFCCVEGCSA-N 0 3 231.336 0.621 20 0 BCADHN C[C@@H]1CN(C(=O)c2cccc(=O)n2C)[C@@H](C)CN1 ZINC000272498396 385312877 /nfs/dbraw/zinc/31/28/77/385312877.db2.gz DKNJXQSJYAAKFW-ZJUUUORDSA-N 0 3 249.314 0.208 20 0 BCADHN CC[C@@H](N)C(=O)N(C)CC(=O)N(CC)CC ZINC000037818079 385317179 /nfs/dbraw/zinc/31/71/79/385317179.db2.gz LJDGHVVVIZQGHO-SECBINFHSA-N 0 3 229.324 0.051 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)[nH]n1 ZINC000272598817 385319924 /nfs/dbraw/zinc/31/99/24/385319924.db2.gz YGTVGZCLOXWYAG-ZYHUDNBSSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)n[nH]1 ZINC000272598817 385319927 /nfs/dbraw/zinc/31/99/27/385319927.db2.gz YGTVGZCLOXWYAG-ZYHUDNBSSA-N 0 3 248.330 0.884 20 0 BCADHN C[C@H](O)CN(Cc1ccncc1)[C@@H](C)CO ZINC000190814439 385264052 /nfs/dbraw/zinc/26/40/52/385264052.db2.gz LTFCYOAUKGDTLL-QWRGUYRKSA-N 0 3 224.304 0.645 20 0 BCADHN CCN(CC)C(=O)[C@H]1CN2CCN1CCC2 ZINC000371251308 385264899 /nfs/dbraw/zinc/26/48/99/385264899.db2.gz KFBJWSFKGUAIEW-LLVKDONJSA-N 0 3 225.336 0.245 20 0 BCADHN C[C@H](Cn1cccn1)N[C@H](CO)[C@H]1CCCO1 ZINC000448274227 385265254 /nfs/dbraw/zinc/26/52/54/385265254.db2.gz XOKJJJQTALUAFJ-IJLUTSLNSA-N 0 3 239.319 0.401 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H](O)c1ccccc1F ZINC000153566431 385265264 /nfs/dbraw/zinc/26/52/64/385265264.db2.gz JRZBWSXNEDPXIF-OIBJUYFYSA-N 0 3 226.251 0.323 20 0 BCADHN CN1CCC[C@H](CNC(=O)C[C@H]2CCOC2)C1 ZINC000569179630 385265349 /nfs/dbraw/zinc/26/53/49/385265349.db2.gz ACLQAVFFEHZKAF-VXGBXAGGSA-N 0 3 240.347 0.871 20 0 BCADHN C[C@@H](N)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000153555579 385265500 /nfs/dbraw/zinc/26/55/00/385265500.db2.gz GERKNNQDDFYVRZ-SNVBAGLBSA-N 0 3 249.314 0.108 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](O)c1ccccc1F ZINC000153566951 385265615 /nfs/dbraw/zinc/26/56/15/385265615.db2.gz JRZBWSXNEDPXIF-GMSGAONNSA-N 0 3 226.251 0.323 20 0 BCADHN C[C@@H](NC(=O)CN1CCNCC1)c1ccccc1 ZINC000019976588 385267831 /nfs/dbraw/zinc/26/78/31/385267831.db2.gz VEJANIYHAAMEQQ-GFCCVEGCSA-N 0 3 247.342 0.769 20 0 BCADHN O=C(N[C@H]1CC12CC2)[C@@H]1CN2CCN1CCC2 ZINC000424981124 385272600 /nfs/dbraw/zinc/27/26/00/385272600.db2.gz ZBLGJNGXQANJOG-QWRGUYRKSA-N 0 3 235.331 0.045 20 0 BCADHN CCc1cc(N[C@@H]2COC[C@H]2O)ccn1 ZINC000307789039 385272958 /nfs/dbraw/zinc/27/29/58/385272958.db2.gz RGQJRXYZDRVRPI-GHMZBOCLSA-N 0 3 208.261 0.816 20 0 BCADHN CO[C@@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000336406320 385273533 /nfs/dbraw/zinc/27/35/33/385273533.db2.gz RDBCZUSNXDDGRK-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](N)C(=O)NCCc1c(F)cccc1F ZINC000153683694 385274143 /nfs/dbraw/zinc/27/41/43/385274143.db2.gz NWQICOCEPSVONE-ZETCQYMHSA-N 0 3 228.242 0.971 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2Cc2ccno2)C1 ZINC000644732281 385275026 /nfs/dbraw/zinc/27/50/26/385275026.db2.gz PGIPBVVKGDJQEJ-ONGXEEELSA-N 0 3 207.277 0.811 20 0 BCADHN Cc1cnn(CCN(C)CC[C@@H](C)O)c1 ZINC000308903361 385276807 /nfs/dbraw/zinc/27/68/07/385276807.db2.gz CQSHJHPAVACAIM-LLVKDONJSA-N 0 3 211.309 0.894 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H](O)C1CCCCC1 ZINC000154409325 385322838 /nfs/dbraw/zinc/32/28/38/385322838.db2.gz PCMLOQFTAANJTJ-SNVBAGLBSA-N 0 3 228.336 0.781 20 0 BCADHN CC(C)(C)[C@@H](NCCn1cccn1)C(N)=O ZINC000109329602 385280759 /nfs/dbraw/zinc/28/07/59/385280759.db2.gz MBUFROQMPVKBTD-VIFPVBQESA-N 0 3 224.308 0.373 20 0 BCADHN CN(C)C/C=C\C(=O)NCc1ccccc1CO ZINC000492161506 385280829 /nfs/dbraw/zinc/28/08/29/385280829.db2.gz QYRPLZCWEYBQHQ-YVMONPNESA-N 0 3 248.326 0.913 20 0 BCADHN O=C1CCN(C[C@@H]2CCC=CO2)CCN1 ZINC000191075061 385281111 /nfs/dbraw/zinc/28/11/11/385281111.db2.gz IMFARZGRPIRAFZ-JTQLQIEISA-N 0 3 210.277 0.501 20 0 BCADHN Cc1cnn(CCN2CCC[C@H]2CO)c1 ZINC000308907278 385281952 /nfs/dbraw/zinc/28/19/52/385281952.db2.gz FCPAUIJMPOGQSY-NSHDSACASA-N 0 3 209.293 0.648 20 0 BCADHN CCOC[C@@H](O)CN(C)CCC(=O)OCC ZINC000069280217 385284236 /nfs/dbraw/zinc/28/42/36/385284236.db2.gz XBZQEIKAIWMRHV-JTQLQIEISA-N 0 3 233.308 0.269 20 0 BCADHN C[C@@H](C(=O)NC1(CO)CC1)N1CCCCCC1 ZINC000407980429 385285485 /nfs/dbraw/zinc/28/54/85/385285485.db2.gz ISJFZXSBORPQKX-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN COC[C@@H](CO)NC1CC(OC(C)C)C1 ZINC000308922888 385295195 /nfs/dbraw/zinc/29/51/95/385295195.db2.gz HMCPMXUVUJCYES-HSOILSAZSA-N 0 3 217.309 0.539 20 0 BCADHN CC(C)CCNC(=O)[C@]1(F)CCNC1 ZINC000308940375 385295982 /nfs/dbraw/zinc/29/59/82/385295982.db2.gz PXYFVZWMRKIPRU-JTQLQIEISA-N 0 3 202.273 0.850 20 0 BCADHN CC[C@@H](C)CS(=O)(=O)N(C)CCNC ZINC000308941494 385299531 /nfs/dbraw/zinc/29/95/31/385299531.db2.gz QFVFPLPMKZSBHR-SECBINFHSA-N 0 3 222.354 0.514 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@](C)(O)C(F)(F)F ZINC000308940594 385299682 /nfs/dbraw/zinc/29/96/82/385299682.db2.gz UTXNLMFSWMOSAC-FSPLSTOPSA-N 0 3 228.214 0.153 20 0 BCADHN CCO[C@@H](CN(C)C(C)(C)C(N)=O)C1CC1 ZINC000625449851 385300770 /nfs/dbraw/zinc/30/07/70/385300770.db2.gz ALUAFWIXJSMYFU-JTQLQIEISA-N 0 3 228.336 0.997 20 0 BCADHN C[C@H]1OCC[C@@]1(O)CNCc1cncn1C ZINC000227978112 385301061 /nfs/dbraw/zinc/30/10/61/385301061.db2.gz XHODJZGYPWTYOL-MWLCHTKSSA-N 0 3 225.292 0.050 20 0 BCADHN CCN1C[C@@H](N[C@H](C)COC)CC1=O ZINC000391592373 385329735 /nfs/dbraw/zinc/32/97/35/385329735.db2.gz FYBQDERVIZGNSB-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN O=C1NC[C@@H]2CN(Cc3ccccn3)CC[C@@H]12 ZINC000377671049 385332092 /nfs/dbraw/zinc/33/20/92/385332092.db2.gz HTUCJAOJJVBPRK-ZYHUDNBSSA-N 0 3 231.299 0.650 20 0 BCADHN N[C@H](CC(F)F)C(=O)NC[C@@H]1CCCS1 ZINC000309044242 385388671 /nfs/dbraw/zinc/38/86/71/385388671.db2.gz MAJVUTFRQLXCRZ-NKWVEPMBSA-N 0 3 238.303 0.981 20 0 BCADHN NC1(C(=O)NCC2CCSCC2)CC1 ZINC000158035415 385334858 /nfs/dbraw/zinc/33/48/58/385334858.db2.gz YIOQWWUIFCJBRM-UHFFFAOYSA-N 0 3 214.334 0.737 20 0 BCADHN CC1(C)CC[C@@H](CN2CCC[C@](O)(CO)C2)O1 ZINC000313679585 385335258 /nfs/dbraw/zinc/33/52/58/385335258.db2.gz XFOUEVCSEBVGHS-WCQYABFASA-N 0 3 243.347 0.763 20 0 BCADHN CCN(CCO)C(=O)NC1CCN(C)CC1 ZINC000407995506 385336031 /nfs/dbraw/zinc/33/60/31/385336031.db2.gz JZPXKGXPVFONSB-UHFFFAOYSA-N 0 3 229.324 0.104 20 0 BCADHN C[C@H](N)C(=O)NCc1nc(C2CC2)cs1 ZINC000178843426 385336300 /nfs/dbraw/zinc/33/63/00/385336300.db2.gz PBVBXJDBKADZHZ-LURJTMIESA-N 0 3 225.317 0.984 20 0 BCADHN C[C@H](N[C@@H]1CCCSC1)C(=O)NCCF ZINC000308995605 385338736 /nfs/dbraw/zinc/33/87/36/385338736.db2.gz MMADXOQJFGEGSV-DTWKUNHWSA-N 0 3 234.340 0.946 20 0 BCADHN Cc1cnn(C)c1CNCCC[C@@H](C)O ZINC000309044964 385389133 /nfs/dbraw/zinc/38/91/33/385389133.db2.gz NVMBTFCECVELRZ-SNVBAGLBSA-N 0 3 211.309 0.979 20 0 BCADHN Cn1cnc(C(=O)NC2CCN(C)CC2)c1 ZINC000178165903 385341299 /nfs/dbraw/zinc/34/12/99/385341299.db2.gz LIJYXRUEBPQOPK-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN Cn1cnc(C(=O)NC2CCN(C3CC3)CC2)c1 ZINC000178175463 385341413 /nfs/dbraw/zinc/34/14/13/385341413.db2.gz FQCTVLDBZOQZDF-UHFFFAOYSA-N 0 3 248.330 0.777 20 0 BCADHN CCN1C[C@H](N[C@H]2COC(C)(C)C2)CC1=O ZINC000335358407 385346841 /nfs/dbraw/zinc/34/68/41/385346841.db2.gz PAWICXVTFYGWIP-NXEZZACHSA-N 0 3 226.320 0.764 20 0 BCADHN CC(C)N(C)CC(=O)NCc1nccc(N)n1 ZINC000131609918 385347121 /nfs/dbraw/zinc/34/71/21/385347121.db2.gz CYZPPZRWJBWWPG-UHFFFAOYSA-N 0 3 237.307 0.015 20 0 BCADHN C[C@H](C(=O)N1CCNCC1)[C@@H](N)c1ccccc1 ZINC000131665370 385350967 /nfs/dbraw/zinc/35/09/67/385350967.db2.gz YPWKSPOXLZSHKL-WCQYABFASA-N 0 3 247.342 0.754 20 0 BCADHN CN1C[C@H]2CCN(Cc3nnnn3C3CC3)[C@@H]2C1 ZINC000644734961 385351275 /nfs/dbraw/zinc/35/12/75/385351275.db2.gz SWTQPBWPUPMYQK-MWLCHTKSSA-N 0 3 248.334 0.144 20 0 BCADHN O=C(Nc1nncs1)[C@H]1CNCCC1(F)F ZINC000643983723 385351705 /nfs/dbraw/zinc/35/17/05/385351705.db2.gz YHJKRODIPGSXHD-RXMQYKEDSA-N 0 3 248.258 0.721 20 0 BCADHN Cc1nccc(CN2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000644735028 385351864 /nfs/dbraw/zinc/35/18/64/385351864.db2.gz UGFAQUGOSSIFLQ-WCQYABFASA-N 0 3 232.331 0.921 20 0 BCADHN Cc1cn[nH]c1CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368667437 385389558 /nfs/dbraw/zinc/38/95/58/385389558.db2.gz RPMYIPZXRJOXIX-HOSYDEDBSA-N 0 3 248.330 0.804 20 0 BCADHN Cc1cn[nH]c1CN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368667439 385389661 /nfs/dbraw/zinc/38/96/61/385389661.db2.gz RPMYIPZXRJOXIX-NHCYSSNCSA-N 0 3 248.330 0.804 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC(OC(C)C)CC1 ZINC000643989913 385355624 /nfs/dbraw/zinc/35/56/24/385355624.db2.gz ATACMVCZNZMANQ-NSHDSACASA-N 0 3 244.335 0.376 20 0 BCADHN C/C=C\C[C@@H](CO)NCc1cnn(C)c1 ZINC000309064750 385391329 /nfs/dbraw/zinc/39/13/29/385391329.db2.gz YSMDDTOKKGHYBF-BYCRGOAPSA-N 0 3 209.293 0.837 20 0 BCADHN CCCNC(=O)CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644734686 385357191 /nfs/dbraw/zinc/35/71/91/385357191.db2.gz SVSNPGBZUVMXRO-MNOVXSKESA-N 0 3 225.336 0.149 20 0 BCADHN CC(C)[C@](C)(CO)NCc1ccn(C)n1 ZINC000309012151 385358837 /nfs/dbraw/zinc/35/88/37/385358837.db2.gz SGJPFNIRCQUDOG-NSHDSACASA-N 0 3 211.309 0.917 20 0 BCADHN CN1CCC(CC(=O)NCc2c[nH]cn2)CC1 ZINC000643992241 385359515 /nfs/dbraw/zinc/35/95/15/385359515.db2.gz BPWFRVZBALMTRI-UHFFFAOYSA-N 0 3 236.319 0.758 20 0 BCADHN CCOCCCCNC(=O)[C@@H]1NCC1(C)C ZINC000643991591 385360033 /nfs/dbraw/zinc/36/00/33/385360033.db2.gz OLWNCCOOZYOXAZ-JTQLQIEISA-N 0 3 228.336 0.917 20 0 BCADHN C[C@@H]1[C@@H](C)N(C(=O)/C=C/CN(C)C)CCN1C ZINC000492344857 385360963 /nfs/dbraw/zinc/36/09/63/385360963.db2.gz WHLKPZLAEMLHSV-BYAJROORSA-N 0 3 239.363 0.655 20 0 BCADHN CC[C@H](CNC(=O)C1CCN(C)CC1)OC ZINC000427911968 385362139 /nfs/dbraw/zinc/36/21/39/385362139.db2.gz FHGJHLWLEAATTO-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H](N)C(=O)NCCCNc1ccccn1 ZINC000165238534 385366168 /nfs/dbraw/zinc/36/61/68/385366168.db2.gz LUZCPARBBVBCFU-JTQLQIEISA-N 0 3 236.319 0.737 20 0 BCADHN CO[C@@H](C)CN(C(=O)[C@H](C)N)C(C)C ZINC000309024793 385366274 /nfs/dbraw/zinc/36/62/74/385366274.db2.gz ZHFOCIJJSQTEQE-IUCAKERBSA-N 0 3 202.298 0.606 20 0 BCADHN CCOC(=O)CCN1CCC[C@@H]1CC(=O)OC ZINC000179128585 385369479 /nfs/dbraw/zinc/36/94/79/385369479.db2.gz PBIRKYIYDSJYPN-SNVBAGLBSA-N 0 3 243.303 0.967 20 0 BCADHN Cn1cc(NC(=O)[C@@H]2NCC2(C)C)ccc1=O ZINC000644005902 385369935 /nfs/dbraw/zinc/36/99/35/385369935.db2.gz SYZIZVNTWTYEMX-JTQLQIEISA-N 0 3 235.287 0.322 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NC[C@@H]1CCCOC1 ZINC000644005794 385370378 /nfs/dbraw/zinc/37/03/78/385370378.db2.gz DTLYIKJTJAFTSN-VHSXEESVSA-N 0 3 226.320 0.527 20 0 BCADHN NC(=O)C1CCN(CCOCC2CC2)CC1 ZINC000158246774 385370596 /nfs/dbraw/zinc/37/05/96/385370596.db2.gz GLLICZSGNQGLPR-UHFFFAOYSA-N 0 3 226.320 0.610 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2NCC2(C)C)[C@@H](C)CO1 ZINC000644008148 385372043 /nfs/dbraw/zinc/37/20/43/385372043.db2.gz VWJYATHWMJOMNQ-AEJSXWLSSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1CCOC1)N(C)C1CC1 ZINC000179254256 385372956 /nfs/dbraw/zinc/37/29/56/385372956.db2.gz IRXDHCACQDWSPS-UWVGGRQHSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@]1(O)CCN(C[C@@H](O)CC(F)(F)F)C1 ZINC000307984250 385373199 /nfs/dbraw/zinc/37/31/99/385373199.db2.gz RITXQJKHHJCNLA-JGVFFNPUSA-N 0 3 227.226 0.756 20 0 BCADHN C/C=C\C[C@H](CO)NCc1cnn(C)c1 ZINC000309064751 385390439 /nfs/dbraw/zinc/39/04/39/385390439.db2.gz YSMDDTOKKGHYBF-DLRQAJBASA-N 0 3 209.293 0.837 20 0 BCADHN Cc1n[nH]cc1CN1CCC[C@@H](C(N)=O)C1 ZINC000155074251 385374236 /nfs/dbraw/zinc/37/42/36/385374236.db2.gz BDMXCJODJOXRCL-SECBINFHSA-N 0 3 222.292 0.415 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCCC(C)(C)O ZINC000309021712 385374207 /nfs/dbraw/zinc/37/42/07/385374207.db2.gz VBNDDUWNLPGJAS-VIFPVBQESA-N 0 3 237.365 0.560 20 0 BCADHN O=C1OCC[C@@H]2CCN(C[C@@H]3CCOC3)[C@H]12 ZINC000364347737 385377139 /nfs/dbraw/zinc/37/71/39/385377139.db2.gz PCPYFHUCUDGTGQ-DCAQKATOSA-N 0 3 225.288 0.660 20 0 BCADHN CCCN(CC(=O)N(C)C)C[C@H](C)O ZINC000192971569 385378180 /nfs/dbraw/zinc/37/81/80/385378180.db2.gz ITKZUQWIZJORGA-VIFPVBQESA-N 0 3 202.298 0.167 20 0 BCADHN CN(C)S(=O)(=O)CCN[C@H]1CCC1(C)C ZINC000309031570 385379130 /nfs/dbraw/zinc/37/91/30/385379130.db2.gz BYFZALGGLHRCKL-VIFPVBQESA-N 0 3 234.365 0.656 20 0 BCADHN COCCOCCN(C)CCSC ZINC000178503420 385382256 /nfs/dbraw/zinc/38/22/56/385382256.db2.gz DSZOXPRMTOCDMH-UHFFFAOYSA-N 0 3 207.339 0.944 20 0 BCADHN C[C@@]1(NC(=O)[C@H](N)CC(F)F)CCOC1 ZINC000309048538 385382337 /nfs/dbraw/zinc/38/23/37/385382337.db2.gz OGBZRRHAQYELQW-HZGVNTEJSA-N 0 3 222.235 0.264 20 0 BCADHN CC[C@@](C)(NCCO[C@H]1CCCCO1)C(N)=O ZINC000193073701 385382347 /nfs/dbraw/zinc/38/23/47/385382347.db2.gz MZMRIFRWPLFIKA-CMPLNLGQSA-N 0 3 244.335 0.773 20 0 BCADHN C[C@@]1(NC(=O)[C@@H](N)CC(F)F)CCOC1 ZINC000309048539 385382392 /nfs/dbraw/zinc/38/23/92/385382392.db2.gz OGBZRRHAQYELQW-IMTBSYHQSA-N 0 3 222.235 0.264 20 0 BCADHN C[C@@H](NCC(C)(C)C(N)=O)c1ccnn1C ZINC000193067086 385382936 /nfs/dbraw/zinc/38/29/36/385382936.db2.gz IFSYDCOFXPOGFI-MRVPVSSYSA-N 0 3 224.308 0.582 20 0 BCADHN COC(C)(C)[C@H](C)NCC(=O)N1CCOCC1 ZINC000336707920 385385598 /nfs/dbraw/zinc/38/55/98/385385598.db2.gz NMSUONSNKFACTB-JTQLQIEISA-N 0 3 244.335 0.248 20 0 BCADHN CC(C)N(CC(=O)NC(N)=O)CC1CCC1 ZINC000193217755 385387537 /nfs/dbraw/zinc/38/75/37/385387537.db2.gz KZMRDERFRNZNKJ-UHFFFAOYSA-N 0 3 227.308 0.692 20 0 BCADHN CCc1ccccc1S(=O)(=O)NC1CNC1 ZINC000193174982 385387551 /nfs/dbraw/zinc/38/75/51/385387551.db2.gz QGYHNSGGSSAMCI-UHFFFAOYSA-N 0 3 240.328 0.499 20 0 BCADHN CN(CCn1cccn1)C(=O)[C@H]1CCCCN1 ZINC000168805506 385387588 /nfs/dbraw/zinc/38/75/88/385387588.db2.gz KNBKNBUIAVXOMH-LLVKDONJSA-N 0 3 236.319 0.484 20 0 BCADHN CCOCCN[C@@H](COC)[C@@H]1CCCO1 ZINC000309041581 385388206 /nfs/dbraw/zinc/38/82/06/385388206.db2.gz LOASBWAGWAPBON-QWRGUYRKSA-N 0 3 217.309 0.807 20 0 BCADHN CC[C@@H](CN[C@H](C)CS(=O)(=O)CC)OC ZINC000308972110 385328120 /nfs/dbraw/zinc/32/81/20/385328120.db2.gz HBIXHVKFDSJIJQ-ZJUUUORDSA-N 0 3 237.365 0.824 20 0 BCADHN CC[C@H](CN[C@H](C)CS(=O)(=O)CC)OC ZINC000308972098 385328538 /nfs/dbraw/zinc/32/85/38/385328538.db2.gz HBIXHVKFDSJIJQ-NXEZZACHSA-N 0 3 237.365 0.824 20 0 BCADHN C[C@H](O)CN[C@H](CO)c1cccc(F)c1 ZINC000309063985 385391561 /nfs/dbraw/zinc/39/15/61/385391561.db2.gz YINPCLFFVIKXLE-GZMMTYOYSA-N 0 3 213.252 0.830 20 0 BCADHN C[C@H](NC[C@]1(O)CCSC1)c1cn[nH]c1 ZINC000281079815 385393473 /nfs/dbraw/zinc/39/34/73/385393473.db2.gz UKMMTNYKKBZJAJ-WCBMZHEXSA-N 0 3 227.333 0.928 20 0 BCADHN CCN(C)CCNc1nccc(CO)n1 ZINC000309056447 385394462 /nfs/dbraw/zinc/39/44/62/385394462.db2.gz UQIBMIQPYZGMJH-UHFFFAOYSA-N 0 3 210.281 0.333 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@@H](N)CC(F)F ZINC000309057036 385394583 /nfs/dbraw/zinc/39/45/83/385394583.db2.gz TWSFTDQHQOMRSU-BQBZGAKWSA-N 0 3 224.251 0.246 20 0 BCADHN CS(=O)(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000309059785 385396380 /nfs/dbraw/zinc/39/63/80/385396380.db2.gz PUZXGJINBLIPBQ-NSHDSACASA-N 0 3 246.376 0.896 20 0 BCADHN Cc1cn[nH]c1CN[C@@H](CO)CC(F)F ZINC000309076931 385397242 /nfs/dbraw/zinc/39/72/42/385397242.db2.gz LOVFLCBSMANLHP-SSDOTTSWSA-N 0 3 219.235 0.824 20 0 BCADHN COC(=O)[C@H]1CC[C@@H](NCc2ccnn2C)C1 ZINC000193499970 385398063 /nfs/dbraw/zinc/39/80/63/385398063.db2.gz DETNJMKITAWJIJ-VHSXEESVSA-N 0 3 237.303 0.851 20 0 BCADHN C[C@H](O)CNCc1cc(C(F)(F)F)n[nH]1 ZINC000309077394 385398472 /nfs/dbraw/zinc/39/84/72/385398472.db2.gz MCMPATWOHJSMKX-YFKPBYRVSA-N 0 3 223.198 0.899 20 0 BCADHN O=C1NC(=O)[C@@]2(CCCN(Cc3ccco3)C2)N1 ZINC000193467685 385399170 /nfs/dbraw/zinc/39/91/70/385399170.db2.gz IHJLJZPNTGKVGJ-LBPRGKRZSA-N 0 3 249.270 0.454 20 0 BCADHN C[C@@H](O)CNCc1cn(C)nc1C(F)F ZINC000309079189 385399403 /nfs/dbraw/zinc/39/94/03/385399403.db2.gz NQXLWBSISSXIOA-ZCFIWIBFSA-N 0 3 219.235 0.828 20 0 BCADHN CC(C)[C@@H](CO)NCC(=O)Nc1nccs1 ZINC000180605780 385399818 /nfs/dbraw/zinc/39/98/18/385399818.db2.gz JJCWDUJFGHHBHF-MRVPVSSYSA-N 0 3 243.332 0.688 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@H](C)Cn1ccnc1 ZINC000165581856 385402285 /nfs/dbraw/zinc/40/22/85/385402285.db2.gz CVVKBIQTHHSSEW-QWRGUYRKSA-N 0 3 238.335 0.619 20 0 BCADHN COC[C@@H](NC(=O)[C@H]1NCC1(C)C)C(C)C ZINC000644053547 385404902 /nfs/dbraw/zinc/40/49/02/385404902.db2.gz HKLKDRQTAOEKQD-NXEZZACHSA-N 0 3 228.336 0.772 20 0 BCADHN Cc1ccc([C@H](CNC(=O)CN)N(C)C)cc1 ZINC000165627678 385405279 /nfs/dbraw/zinc/40/52/79/385405279.db2.gz XKBNZTAUOYVJMX-LBPRGKRZSA-N 0 3 235.331 0.673 20 0 BCADHN CN(C)CCCNC(=O)c1ccc(C=O)[nH]1 ZINC000170231891 385426157 /nfs/dbraw/zinc/42/61/57/385426157.db2.gz DYACBBVVNMXWSL-UHFFFAOYSA-N 0 3 223.276 0.509 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000155903285 385419502 /nfs/dbraw/zinc/41/95/02/385419502.db2.gz REFIUTMDRFNZBN-GMSGAONNSA-N 0 3 226.251 0.323 20 0 BCADHN CCN(C)C(=O)CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000408060991 385419699 /nfs/dbraw/zinc/41/96/99/385419699.db2.gz KJHZMJXTXQGESG-VHSXEESVSA-N 0 3 241.335 0.051 20 0 BCADHN CC[C@@H](CO)NCc1c(C)nn(C)c1C ZINC000020195903 385422387 /nfs/dbraw/zinc/42/23/87/385422387.db2.gz DBRFXPVCRVSRLP-JTQLQIEISA-N 0 3 211.309 0.897 20 0 BCADHN Cc1cc(C(=O)N2CCNCC2(C)C)nc(C)n1 ZINC000644074895 385422575 /nfs/dbraw/zinc/42/25/75/385422575.db2.gz JGAPWBMBRUPBID-UHFFFAOYSA-N 0 3 248.330 0.917 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCOC(C)(C)C1 ZINC000644078330 385423288 /nfs/dbraw/zinc/42/32/88/385423288.db2.gz ZLLJHAJLAVUNGG-VIFPVBQESA-N 0 3 226.320 0.622 20 0 BCADHN Cn1cccc(C(=O)N2CCNCC2(C)C)c1=O ZINC000644074575 385423587 /nfs/dbraw/zinc/42/35/87/385423587.db2.gz VSZCBRRCQXYYGV-UHFFFAOYSA-N 0 3 249.314 0.209 20 0 BCADHN COC[C@@H](O)CN(C)CCc1nccs1 ZINC000179077987 385439319 /nfs/dbraw/zinc/43/93/19/385439319.db2.gz KOYVJDAPKINVRQ-VIFPVBQESA-N 0 3 230.333 0.625 20 0 BCADHN C[C@H](Cn1cccn1)NCC1OCCO1 ZINC000272362616 385440503 /nfs/dbraw/zinc/44/05/03/385440503.db2.gz YUJNSCVWHAZVEK-SECBINFHSA-N 0 3 211.265 0.234 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1CC12CC2)N(C)C ZINC000425579990 385444472 /nfs/dbraw/zinc/44/44/72/385444472.db2.gz BXBXMFKBXSUEMB-IUCAKERBSA-N 0 3 211.309 0.788 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CCCN2C)[nH]n1 ZINC000194692863 385445700 /nfs/dbraw/zinc/44/57/00/385445700.db2.gz CLPNEYQPPKXEFU-VIFPVBQESA-N 0 3 222.292 0.542 20 0 BCADHN C[C@H](O)[C@@H]1CCN(CC(=O)NC(C)(C)C)C1 ZINC000166066323 385447542 /nfs/dbraw/zinc/44/75/42/385447542.db2.gz RPFSHEXVQHYCFO-VHSXEESVSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1nn(C)cc1CN1CCC[C@H](C(N)=O)C1 ZINC000156434473 385451170 /nfs/dbraw/zinc/45/11/70/385451170.db2.gz XERWFSRAMOXHEY-JTQLQIEISA-N 0 3 236.319 0.426 20 0 BCADHN CN(C)C[C@H]1CN(Cc2c[nH]cn2)CCO1 ZINC000179218961 385451566 /nfs/dbraw/zinc/45/15/66/385451566.db2.gz LXTZLKGEMFKGGJ-NSHDSACASA-N 0 3 224.308 0.172 20 0 BCADHN CC[C@H](C(=O)NCCOCCO)N(CC)CC ZINC000448360329 385458488 /nfs/dbraw/zinc/45/84/88/385458488.db2.gz BGEMXSVMNVUQMG-LLVKDONJSA-N 0 3 246.351 0.232 20 0 BCADHN C[C@@H](O)CN1CCc2ccccc2[C@@H]1CO ZINC000194953533 385453868 /nfs/dbraw/zinc/45/38/68/385453868.db2.gz UBVWFBTXGJPSGJ-MFKMUULPSA-N 0 3 221.300 0.959 20 0 BCADHN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1ccco1 ZINC000309129107 385428674 /nfs/dbraw/zinc/42/86/74/385428674.db2.gz QRGJYROXCYYNGK-ZETCQYMHSA-N 0 3 218.278 0.295 20 0 BCADHN C=Cn1cc(CN[C@H]2CCC(=O)N(C)C2)cn1 ZINC000194353907 385432088 /nfs/dbraw/zinc/43/20/88/385432088.db2.gz OCNSIMUVWVLRCF-NSHDSACASA-N 0 3 234.303 0.694 20 0 BCADHN CC[C@H](N[C@@H]1CCCC[C@@H]1OC)C(N)=O ZINC000309140165 385432850 /nfs/dbraw/zinc/43/28/50/385432850.db2.gz GXUKNEJVQGWIAY-AEJSXWLSSA-N 0 3 214.309 0.798 20 0 BCADHN C[C@@H](O)CN[C@@H](CO)c1ccc(F)cc1 ZINC000281453736 385436661 /nfs/dbraw/zinc/43/66/61/385436661.db2.gz UVIUIRAZQHRENY-KCJUWKMLSA-N 0 3 213.252 0.830 20 0 BCADHN C[C@@H](O)CN[C@H](CO)c1ccc(F)cc1 ZINC000281453739 385436811 /nfs/dbraw/zinc/43/68/11/385436811.db2.gz UVIUIRAZQHRENY-LDYMZIIASA-N 0 3 213.252 0.830 20 0 BCADHN Cn1nnc2cc(CN3CCC(O)CC3)ccc21 ZINC000408062166 385438051 /nfs/dbraw/zinc/43/80/51/385438051.db2.gz NUCIBGZVBOPKGG-UHFFFAOYSA-N 0 3 246.314 0.925 20 0 BCADHN Cc1c[nH]nc1CNCCc1cnn(C)c1 ZINC000289795139 385465349 /nfs/dbraw/zinc/46/53/49/385465349.db2.gz HVWOMVOARFHXGC-UHFFFAOYSA-N 0 3 219.292 0.784 20 0 BCADHN CN(C)[C@@H]1CCCN(CC(=O)NCC2CC2)C1 ZINC000109810670 385487949 /nfs/dbraw/zinc/48/79/49/385487949.db2.gz PPCKCGFBMKAFTI-GFCCVEGCSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@@H](CNC(=O)C1=COCCO1)N(C)C1CC1 ZINC000171109381 385467699 /nfs/dbraw/zinc/46/76/99/385467699.db2.gz FZDFADXGSADOPC-VIFPVBQESA-N 0 3 240.303 0.474 20 0 BCADHN CCC[C@H](C(=O)N[C@H](C)c1nnc[n-]1)[NH+](C)C ZINC000179487490 385469819 /nfs/dbraw/zinc/46/98/19/385469819.db2.gz XQCUZHUEAXSBCW-RKDXNWHRSA-N 0 3 239.323 0.712 20 0 BCADHN Cc1ccn(C)c(=O)c1NC(=O)[C@H]1NCC1(C)C ZINC000644098862 385470483 /nfs/dbraw/zinc/47/04/83/385470483.db2.gz DOPBOYNWQLWTGG-SNVBAGLBSA-N 0 3 249.314 0.630 20 0 BCADHN C[C@H](N)C(=O)Nc1ccccc1N1CCOC1=O ZINC000156875734 385472289 /nfs/dbraw/zinc/47/22/89/385472289.db2.gz HBXHCFQYXPFHRS-QMMMGPOBSA-N 0 3 249.270 0.929 20 0 BCADHN CC[C@@H](N)C(=O)Nc1nc(C)ns1 ZINC000128400993 385472527 /nfs/dbraw/zinc/47/25/27/385472527.db2.gz NBTDGDIYQMDYFT-RXMQYKEDSA-N 0 3 200.267 0.522 20 0 BCADHN CC(C)[C@@](C)(O)CN[C@@H](C)CS(C)(=O)=O ZINC000162255354 385472818 /nfs/dbraw/zinc/47/28/18/385472818.db2.gz KIVNFNQDDGDOID-UWVGGRQHSA-N 0 3 237.365 0.416 20 0 BCADHN CN(CCc1cccnc1)CC(C)(CO)CO ZINC000179565251 385473219 /nfs/dbraw/zinc/47/32/19/385473219.db2.gz FQTVAODVVAGNEP-UHFFFAOYSA-N 0 3 238.331 0.547 20 0 BCADHN CO[C@@H]1CCCN(C[C@H](O)Cn2cccn2)C1 ZINC000171205910 385473657 /nfs/dbraw/zinc/47/36/57/385473657.db2.gz WZTBKAOZTKAHPV-NWDGAFQWSA-N 0 3 239.319 0.355 20 0 BCADHN C[C@@]1(NC(=O)[C@@H]2CNCCC2(F)F)CCOC1 ZINC000644105268 385480648 /nfs/dbraw/zinc/48/06/48/385480648.db2.gz FFOMFFUSSRZVMK-WCBMZHEXSA-N 0 3 248.273 0.526 20 0 BCADHN CN(CCCn1ccnc1)[C@H]1CCNC1=O ZINC000179304036 385459842 /nfs/dbraw/zinc/45/98/42/385459842.db2.gz ZYAXQAVLNITOLU-JTQLQIEISA-N 0 3 222.292 0.094 20 0 BCADHN Cc1cc(C)n(CCCNC(=O)[C@H](C)N)n1 ZINC000195127438 385460042 /nfs/dbraw/zinc/46/00/42/385460042.db2.gz PQXZIUBPTCVQFH-JTQLQIEISA-N 0 3 224.308 0.353 20 0 BCADHN Nc1ncccc1CN1CC[C@@H](CO)C1 ZINC000161694557 385461585 /nfs/dbraw/zinc/46/15/85/385461585.db2.gz XUAJUZYAXFCUQQ-SECBINFHSA-N 0 3 207.277 0.478 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000161694497 385461615 /nfs/dbraw/zinc/46/16/15/385461615.db2.gz BASDNOUWUNQCMC-IVZWLZJFSA-N 0 3 235.349 0.577 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000161694736 385462817 /nfs/dbraw/zinc/46/28/17/385462817.db2.gz BASDNOUWUNQCMC-LPEHRKFASA-N 0 3 235.349 0.577 20 0 BCADHN CN1CCC(CC(=O)N2CC(C)(O)C2)CC1 ZINC000336482750 385497049 /nfs/dbraw/zinc/49/70/49/385497049.db2.gz QLJJSYDIRXZOLA-UHFFFAOYSA-N 0 3 226.320 0.312 20 0 BCADHN Cc1cnc(CCN(C)CCOCCO)s1 ZINC000157343128 385497729 /nfs/dbraw/zinc/49/77/29/385497729.db2.gz WBGSEPBZPNMWGK-UHFFFAOYSA-N 0 3 244.360 0.935 20 0 BCADHN CN(C[C@H]1CCCCO1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000364722812 385506222 /nfs/dbraw/zinc/50/62/22/385506222.db2.gz HVGOYPPMYIHLCD-HBNTYKKESA-N 0 3 244.310 0.714 20 0 BCADHN CNC(=O)CCCNC[C@@H](O)C(F)(F)F ZINC000234348772 259668009 /nfs/dbraw/zinc/66/80/09/259668009.db2.gz XBRUWADBXVXYMI-ZCFIWIBFSA-N 0 3 228.214 0.025 20 0 BCADHN C[S@@](=O)C[C@H](NCCO)c1ccccc1 ZINC000183113859 385509113 /nfs/dbraw/zinc/50/91/13/385509113.db2.gz WYFXKOXYDNZSCL-XHDPSFHLSA-N 0 3 227.329 0.688 20 0 BCADHN COC[C@H](NC[C@@H](C)O)[C@H]1CCCO1 ZINC000330363917 385511155 /nfs/dbraw/zinc/51/11/55/385511155.db2.gz YSPSSRPZSLTFCJ-KXUCPTDWSA-N 0 3 203.282 0.151 20 0 BCADHN C[C@H]1CCN(CCNC(=O)/C=C/c2ncc[nH]2)C1 ZINC000493071840 385511402 /nfs/dbraw/zinc/51/14/02/385511402.db2.gz PMKUCIIDXQRUPD-VUDBWIFFSA-N 0 3 248.330 0.881 20 0 BCADHN C[C@H](O)CN(CCO)CCO[C@H]1CCCCO1 ZINC000336729448 385532985 /nfs/dbraw/zinc/53/29/85/385532985.db2.gz XKEOLNKDOZKDGA-RYUDHWBXSA-N 0 3 247.335 0.205 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644813033 385539081 /nfs/dbraw/zinc/53/90/81/385539081.db2.gz FIGPVHLWBIGQFD-USZNOCQGSA-N 0 3 238.331 0.574 20 0 BCADHN O=C(Nc1nncs1)[C@@H]1CCCCN1 ZINC000157940677 385539360 /nfs/dbraw/zinc/53/93/60/385539360.db2.gz AKCJDJYJVAJITJ-LURJTMIESA-N 0 3 212.278 0.619 20 0 BCADHN C[C@H](N)C(=O)NCC1([C@H](O)c2ccccc2)CC1 ZINC000157952096 385539594 /nfs/dbraw/zinc/53/95/94/385539594.db2.gz UKYZEBNPZHEMGV-CMPLNLGQSA-N 0 3 248.326 0.964 20 0 BCADHN C[C@@H](N)C(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000157952554 385539650 /nfs/dbraw/zinc/53/96/50/385539650.db2.gz UKYZEBNPZHEMGV-PWSUYJOCSA-N 0 3 248.326 0.964 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000157979561 385541635 /nfs/dbraw/zinc/54/16/35/385541635.db2.gz WJKZWHAEYKBMEE-NXEZZACHSA-N 0 3 234.303 0.124 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@H]3CCCCO3)[C@@H]2C1 ZINC000644813401 385542343 /nfs/dbraw/zinc/54/23/43/385542343.db2.gz GQDWUAQIFIAKBX-QJPTWQEYSA-N 0 3 238.331 0.718 20 0 BCADHN COCc1nsc(N2C[C@H](C)NC[C@@H]2C)n1 ZINC000643023057 385519342 /nfs/dbraw/zinc/51/93/42/385519342.db2.gz JNFOUPWSDCUXHL-YUMQZZPRSA-N 0 3 242.348 0.871 20 0 BCADHN C[C@H]1CN(c2ncnc(N)c2Cl)[C@@H](C)CN1 ZINC000643023162 385519415 /nfs/dbraw/zinc/51/94/15/385519415.db2.gz ZMIRGMKXWHRXHO-BQBZGAKWSA-N 0 3 241.726 0.899 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000234816098 259669869 /nfs/dbraw/zinc/66/98/69/259669869.db2.gz GUSJMQDAVXGTFH-CHWSQXEVSA-N 0 3 248.326 0.804 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cnccn3)[C@@H]2C1 ZINC000644812164 385524181 /nfs/dbraw/zinc/52/41/81/385524181.db2.gz COIMOWAIQRHVBF-MWLCHTKSSA-N 0 3 232.287 0.253 20 0 BCADHN c1nc2ncnc(N3C[C@H]4CCC[C@@H](C3)N4)c2[nH]1 ZINC000643030166 385525383 /nfs/dbraw/zinc/52/53/83/385525383.db2.gz DNLRXDGUADEDDQ-DTORHVGOSA-N 0 3 244.302 0.684 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)[C@@H]1CC12CC2 ZINC000644142214 385526173 /nfs/dbraw/zinc/52/61/73/385526173.db2.gz HNASGNKTFXMGNO-CIUDSAMLSA-N 0 3 212.268 0.603 20 0 BCADHN CN(C)C1(CNC(=O)/C=C/c2ncc[nH]2)CC1 ZINC000493122808 385527205 /nfs/dbraw/zinc/52/72/05/385527205.db2.gz UNJUNJFHACTQFH-ONEGZZNKSA-N 0 3 234.303 0.633 20 0 BCADHN CCC[C@@H](C)CN1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408152153 385574077 /nfs/dbraw/zinc/57/40/77/385574077.db2.gz WLKKBIMIJIJRQB-ZJUUUORDSA-N 0 3 239.319 0.659 20 0 BCADHN CC[C@H](N)C(=O)N1CCC(CC)(CO)CC1 ZINC000305807199 385551848 /nfs/dbraw/zinc/55/18/48/385551848.db2.gz GRUMIBBJSNJFNE-JTQLQIEISA-N 0 3 228.336 0.735 20 0 BCADHN CN(Cc1nccn1C)C(=O)[C@H]1NCC1(C)C ZINC000644153424 385553080 /nfs/dbraw/zinc/55/30/80/385553080.db2.gz SVDMTYRYDFVRQE-SNVBAGLBSA-N 0 3 236.319 0.377 20 0 BCADHN Cc1ccncc1CNC[C@H](O)[C@H]1CCOC1 ZINC000354483775 385558115 /nfs/dbraw/zinc/55/81/15/385558115.db2.gz VVBLUIYQNRZWNN-AAEUAGOBSA-N 0 3 236.315 0.877 20 0 BCADHN CCN1CC[C@@H](NC(=O)C=Cc2c[nH]cn2)C1 ZINC000493297429 385560439 /nfs/dbraw/zinc/56/04/39/385560439.db2.gz DJAYQKRHNXNUDI-DLRQAJBASA-N 0 3 234.303 0.633 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)Cn3cccn3)[C@@H]2C1 ZINC000644814977 385561034 /nfs/dbraw/zinc/56/10/34/385561034.db2.gz NKTQKKODRUPSAG-WDEREUQCSA-N 0 3 234.303 0.046 20 0 BCADHN CCCCN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000107300982 385562674 /nfs/dbraw/zinc/56/26/74/385562674.db2.gz TYQRVVGAANYQTF-JTQLQIEISA-N 0 3 249.380 0.292 20 0 BCADHN O=C([C@@H]1CCCc2c[nH]nc21)N1CCNCC1 ZINC000365008440 385563379 /nfs/dbraw/zinc/56/33/79/385563379.db2.gz LHQPTUNEDURZIU-SNVBAGLBSA-N 0 3 234.303 0.261 20 0 BCADHN c1[nH]c2nccnc2c1CN[C@@H]1CCOC1 ZINC000309422677 385577808 /nfs/dbraw/zinc/57/78/08/385577808.db2.gz ADRWBLNROBGFRK-SECBINFHSA-N 0 3 218.260 0.836 20 0 BCADHN Cc1nc(CNC(C)(C)C(C)(C)O)n[nH]1 ZINC000336732608 385566046 /nfs/dbraw/zinc/56/60/46/385566046.db2.gz LMZITKIGWBFNJK-UHFFFAOYSA-N 0 3 212.297 0.752 20 0 BCADHN CCOC(=O)CCNC(=O)[C@@H]1NCC1(C)C ZINC000592061032 385566717 /nfs/dbraw/zinc/56/67/17/385566717.db2.gz MMOZYCDZLHXNGS-VIFPVBQESA-N 0 3 228.292 0.054 20 0 BCADHN Cc1cc(CC(=O)N2CC[C@@H]3CN(C)C[C@H]32)[nH]n1 ZINC000644815465 385569682 /nfs/dbraw/zinc/56/96/82/385569682.db2.gz PYOCXJYUSQQCCU-ZYHUDNBSSA-N 0 3 248.330 0.423 20 0 BCADHN Cc1cc(CC(=O)N2CC[C@H]3CN(C)C[C@H]32)[nH]n1 ZINC000644815458 385569700 /nfs/dbraw/zinc/56/97/00/385569700.db2.gz PYOCXJYUSQQCCU-CMPLNLGQSA-N 0 3 248.330 0.423 20 0 BCADHN COc1ccnc(NC(=O)C2(N)CC2)c1 ZINC000309401439 385571767 /nfs/dbraw/zinc/57/17/67/385571767.db2.gz HKAJDLDFGCFUFC-UHFFFAOYSA-N 0 3 207.233 0.520 20 0 BCADHN COC(=O)C(C)(C)NC(=O)[C@@H](N)CC(F)F ZINC000309412929 385573466 /nfs/dbraw/zinc/57/34/66/385573466.db2.gz JDUBJOZUTFXUTP-YFKPBYRVSA-N 0 3 238.234 0.037 20 0 BCADHN Cc1nccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000644816798 385597553 /nfs/dbraw/zinc/59/75/53/385597553.db2.gz WZFMCKAFQWCKSQ-CMPLNLGQSA-N 0 3 246.314 0.561 20 0 BCADHN C[C@H](NC[C@H](O)C(F)F)[C@@H]1CCCO1 ZINC000336675991 385599618 /nfs/dbraw/zinc/59/96/18/385599618.db2.gz BZJHABYVHYGVQS-FXQIFTODSA-N 0 3 209.236 0.770 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2ccc(F)cn2)C1 ZINC000280772386 385600398 /nfs/dbraw/zinc/60/03/98/385600398.db2.gz PGXGVQNCAJNGPC-LBPRGKRZSA-N 0 3 237.278 0.918 20 0 BCADHN C[C@@H](CNC(=O)C(=O)c1ccccc1)N(C)C ZINC000280753508 385601581 /nfs/dbraw/zinc/60/15/81/385601581.db2.gz IBULMPBXDLXMSH-JTQLQIEISA-N 0 3 234.299 0.936 20 0 BCADHN C[C@H](CNC(=O)C(=O)c1ccccc1)N(C)C ZINC000280753511 385601929 /nfs/dbraw/zinc/60/19/29/385601929.db2.gz IBULMPBXDLXMSH-SNVBAGLBSA-N 0 3 234.299 0.936 20 0 BCADHN CN(C)CC1(NCc2cn(C)nn2)CCC1 ZINC000309426243 385578150 /nfs/dbraw/zinc/57/81/50/385578150.db2.gz FHKUDRZSEZXJPA-UHFFFAOYSA-N 0 3 223.324 0.389 20 0 BCADHN c1[nH]c2nccnc2c1CN[C@H]1CCOC1 ZINC000309422682 385578203 /nfs/dbraw/zinc/57/82/03/385578203.db2.gz ADRWBLNROBGFRK-VIFPVBQESA-N 0 3 218.260 0.836 20 0 BCADHN CCS(=O)(=O)CCCN[C@@H](C)c1cn[nH]c1 ZINC000309440560 385582829 /nfs/dbraw/zinc/58/28/29/385582829.db2.gz IKQCBWDTAFKZBF-VIFPVBQESA-N 0 3 245.348 0.885 20 0 BCADHN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1c[nH]cn1 ZINC000309451868 385585384 /nfs/dbraw/zinc/58/53/84/385585384.db2.gz OMGJIBRXAMXKDV-QMMMGPOBSA-N 0 3 246.336 0.206 20 0 BCADHN C[NH+](C)[C@@H](CNC(=O)c1cncc([O-])c1)C1CC1 ZINC000111573280 385586496 /nfs/dbraw/zinc/58/64/96/385586496.db2.gz IFGIPUOTYZWHEL-LBPRGKRZSA-N 0 3 249.314 0.857 20 0 BCADHN COC(=O)[C@H](C)N(C)CCN1CCCC1 ZINC000063052305 385587841 /nfs/dbraw/zinc/58/78/41/385587841.db2.gz HOVOHGUYBJLJKT-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN COC(=O)c1cc(CN[C@@H](C)CO)cn1C ZINC000309478600 385605947 /nfs/dbraw/zinc/60/59/47/385605947.db2.gz SJWXIZFRZZUGJV-QMMMGPOBSA-N 0 3 226.276 0.282 20 0 BCADHN CC[C@@H](N)C(=O)N1CCOC(C)(C)C1 ZINC000036871902 385588810 /nfs/dbraw/zinc/58/88/10/385588810.db2.gz ONHWUMINXUNABT-MRVPVSSYSA-N 0 3 200.282 0.361 20 0 BCADHN COC[C@@H](CO)N[C@@H](COC)CC(C)C ZINC000336724467 385615300 /nfs/dbraw/zinc/61/53/00/385615300.db2.gz FWGAQJAVVALQTR-GHMZBOCLSA-N 0 3 219.325 0.644 20 0 BCADHN C[C@@H](N)C(=O)N1CCNc2ccccc21 ZINC000309493770 385615738 /nfs/dbraw/zinc/61/57/38/385615738.db2.gz STRDTMIWGNMSJX-MRVPVSSYSA-N 0 3 205.261 0.792 20 0 BCADHN C[C@H](NC[C@@H]1CCCOC1)c1ncnn1C ZINC000336678326 385616918 /nfs/dbraw/zinc/61/69/18/385616918.db2.gz ABBXTXJNFZNISX-UWVGGRQHSA-N 0 3 224.308 0.892 20 0 BCADHN C[C@H](O)CN1CCN(CCC(C)(C)O)[C@@H](C)C1 ZINC000337353991 385616903 /nfs/dbraw/zinc/61/69/03/385616903.db2.gz ARHDGPNHHHNJFX-RYUDHWBXSA-N 0 3 244.379 0.534 20 0 BCADHN C[C@H](O)CN1CCN(CCC(C)(C)O)[C@H](C)C1 ZINC000337353989 385617157 /nfs/dbraw/zinc/61/71/57/385617157.db2.gz ARHDGPNHHHNJFX-NEPJUHHUSA-N 0 3 244.379 0.534 20 0 BCADHN CCOCCNC(=O)CN[C@@H]1COCC1(C)C ZINC000451811420 385618979 /nfs/dbraw/zinc/61/89/79/385618979.db2.gz QVZPEURZQSZYKK-SNVBAGLBSA-N 0 3 244.335 0.154 20 0 BCADHN COC[C@@H](CO)N[C@H](C)c1cccc(CO)c1 ZINC000280949085 385619808 /nfs/dbraw/zinc/61/98/08/385619808.db2.gz JNIYILGBGZSVEY-ZWNOBZJWSA-N 0 3 239.315 0.837 20 0 BCADHN O=C(CNC1CCC(O)CC1)NCC(F)F ZINC000336679338 385622531 /nfs/dbraw/zinc/62/25/31/385622531.db2.gz NFTIITAARUIETC-UHFFFAOYSA-N 0 3 236.262 0.261 20 0 BCADHN C[C@@H](CNC(=O)Cc1ncccc1F)N(C)C ZINC000280979701 385625113 /nfs/dbraw/zinc/62/51/13/385625113.db2.gz ZVTQMORGJHHEFU-VIFPVBQESA-N 0 3 239.294 0.830 20 0 BCADHN Cn1cncc1CNCC1(CO)CCC1 ZINC000184364359 385635410 /nfs/dbraw/zinc/63/54/10/385635410.db2.gz INYJFINSKJIGLU-UHFFFAOYSA-N 0 3 209.293 0.672 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCCN2C)C1 ZINC000644820555 385608138 /nfs/dbraw/zinc/60/81/38/385608138.db2.gz XPIXCAWIOGATKP-TUAOUCFPSA-N 0 3 237.347 0.243 20 0 BCADHN CCS(=O)(=O)C(C)C(=O)NC1CCCC1 ZINC000408174436 385608547 /nfs/dbraw/zinc/60/85/47/385608547.db2.gz ROWPXVSYPUDCGO-QMMMGPOBSA-N 0 3 233.333 0.868 20 0 BCADHN CCOC(=O)Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000594641229 385610575 /nfs/dbraw/zinc/61/05/75/385610575.db2.gz WIWBPWPUOUCZBI-SNVBAGLBSA-N 0 3 240.307 0.887 20 0 BCADHN COC[C@@H](N[C@@H]1CCCN(C)C1=O)C1CC1 ZINC000309484048 385611035 /nfs/dbraw/zinc/61/10/35/385611035.db2.gz USSWOKIYCNZACR-GHMZBOCLSA-N 0 3 226.320 0.622 20 0 BCADHN Cn1ccc(CN[C@H](CO)[C@H]2CCCO2)c1 ZINC000309487813 385611773 /nfs/dbraw/zinc/61/17/73/385611773.db2.gz HFLFLURAXWPZHR-VXGBXAGGSA-N 0 3 224.304 0.655 20 0 BCADHN CO[C@@H](C)CN(C)CCN1CCOCC1 ZINC000182125822 385636051 /nfs/dbraw/zinc/63/60/51/385636051.db2.gz BKJQYJBOBMHUBF-NSHDSACASA-N 0 3 216.325 0.285 20 0 BCADHN CCOC[C@@H](O)CN(C)C[C@@H](C)OC ZINC000336650298 385612900 /nfs/dbraw/zinc/61/29/00/385612900.db2.gz AOHIZYMUKBIOOT-ZJUUUORDSA-N 0 3 205.298 0.351 20 0 BCADHN CC[C@@H](C)N(CCO)CC(=O)N(C)C1CC1 ZINC000336677960 385613501 /nfs/dbraw/zinc/61/35/01/385613501.db2.gz WMAQXWVETFJQCC-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H](Cn1cccn1)N[C@H]1CCCNC1=O ZINC000309529168 385664658 /nfs/dbraw/zinc/66/46/58/385664658.db2.gz DBCOVQASSXGXJF-ZJUUUORDSA-N 0 3 222.292 0.140 20 0 BCADHN CN(C)CC1(NC(=O)c2cnns2)CCC1 ZINC000281121412 385637508 /nfs/dbraw/zinc/63/75/08/385637508.db2.gz SHHDOJQMTTWYHV-UHFFFAOYSA-N 0 3 240.332 0.752 20 0 BCADHN Cn1cc(CNCC2(CO)CCC2)cn1 ZINC000184375935 385637902 /nfs/dbraw/zinc/63/79/02/385637902.db2.gz MPXGGLXJZIIKHR-UHFFFAOYSA-N 0 3 209.293 0.672 20 0 BCADHN CS[C@H](C)CNC(=O)/C=C/CN(C)C ZINC000269830898 385638451 /nfs/dbraw/zinc/63/84/51/385638451.db2.gz LOPLSIQJVYTLNN-VUHVRTRXSA-N 0 3 216.350 0.972 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)nn1C ZINC000644822007 385643225 /nfs/dbraw/zinc/64/32/25/385643225.db2.gz IJFFOCSPCLUTRN-ZYHUDNBSSA-N 0 3 248.330 0.505 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C[C@H]3CCOC3)[C@@H]2C1 ZINC000644822448 385644593 /nfs/dbraw/zinc/64/45/93/385644593.db2.gz KPYMTCGXBZQADD-IJLUTSLNSA-N 0 3 238.331 0.576 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N(C)C(C)C ZINC000309509999 385645533 /nfs/dbraw/zinc/64/55/33/385645533.db2.gz XAVVDJQQKOHHRV-QMMMGPOBSA-N 0 3 216.281 0.134 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000337418086 385646323 /nfs/dbraw/zinc/64/63/23/385646323.db2.gz SLLYIOMEUFUXPE-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN CC(=O)NCCCNCc1cncc(F)c1 ZINC000336683486 385648112 /nfs/dbraw/zinc/64/81/12/385648112.db2.gz SGXSPHYFJXDCSW-UHFFFAOYSA-N 0 3 225.267 0.837 20 0 BCADHN Cc1cnc(CNCC2(C)COC2)n1C ZINC000336737931 385649246 /nfs/dbraw/zinc/64/92/46/385649246.db2.gz QUGZRNLTRHIGOB-UHFFFAOYSA-N 0 3 209.293 0.855 20 0 BCADHN CC(C)CC[C@@H](O)CN(C)CCOCCO ZINC000337427302 385658556 /nfs/dbraw/zinc/65/85/56/385658556.db2.gz DPGLQTRVGHSNNV-GFCCVEGCSA-N 0 3 233.352 0.724 20 0 BCADHN COCCCCCN(C)C(C)(C)C(N)=O ZINC000451139120 385662549 /nfs/dbraw/zinc/66/25/49/385662549.db2.gz NKMSEWJRPZEOCT-UHFFFAOYSA-N 0 3 216.325 0.999 20 0 BCADHN Cc1nc(C(=O)N2CCC[C@H]2CN(C)C)c[nH]1 ZINC000270036987 385662733 /nfs/dbraw/zinc/66/27/33/385662733.db2.gz CGHSNSBBUCMYED-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)no1 ZINC000644824673 385664039 /nfs/dbraw/zinc/66/40/39/385664039.db2.gz YSEFLWHAZBGNLO-GXSJLCMTSA-N 0 3 235.287 0.759 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCC1(CO)CCC1 ZINC000184527460 385672336 /nfs/dbraw/zinc/67/23/36/385672336.db2.gz SPCIMWWKAQEZOH-SECBINFHSA-N 0 3 235.349 0.172 20 0 BCADHN CCN(C)CCNC(=O)N[C@H]1CCO[C@@H]1C ZINC000119467477 385672901 /nfs/dbraw/zinc/67/29/01/385672901.db2.gz CSWHDDVWUPKFKA-ZJUUUORDSA-N 0 3 229.324 0.415 20 0 BCADHN CC[C@H](O)CNCc1cnc2cnccn12 ZINC000291695409 385673892 /nfs/dbraw/zinc/67/38/92/385673892.db2.gz JPQWQCNQEKYVQF-JTQLQIEISA-N 0 3 220.276 0.590 20 0 BCADHN CNC(=O)[C@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000184545680 385674203 /nfs/dbraw/zinc/67/42/03/385674203.db2.gz KJXMZSFEVHQCLG-QWRGUYRKSA-N 0 3 248.330 0.996 20 0 BCADHN O=S1(=O)CCC[C@@H](NCC2(CO)CCC2)C1 ZINC000184536464 385675763 /nfs/dbraw/zinc/67/57/63/385675763.db2.gz IHDUEPQJQYMZCV-SNVBAGLBSA-N 0 3 247.360 0.316 20 0 BCADHN CC(C)[C@H](O)CN1CC[C@H](n2cncn2)C1 ZINC000366602374 385677632 /nfs/dbraw/zinc/67/76/32/385677632.db2.gz NHBTUMMNZROPPJ-WDEREUQCSA-N 0 3 224.308 0.542 20 0 BCADHN CO[C@]1(C)C[C@@H](N[C@@H]2CCNC2=O)C1(C)C ZINC000309549256 385681450 /nfs/dbraw/zinc/68/14/50/385681450.db2.gz HPVGMDCEXWOHQF-KBVBSXBZSA-N 0 3 226.320 0.668 20 0 BCADHN C[C@@H](NCC(=O)NCC(F)F)[C@H]1CCCO1 ZINC000309552293 385683050 /nfs/dbraw/zinc/68/30/50/385683050.db2.gz IQBZSKCTMIZFCU-HTQZYQBOSA-N 0 3 236.262 0.525 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)c1cn[nH]c1 ZINC000270219471 385687242 /nfs/dbraw/zinc/68/72/42/385687242.db2.gz LICAKXLVCVFVQN-VIFPVBQESA-N 0 3 224.308 0.929 20 0 BCADHN CCCN(C)CC(=O)NC(CF)CF ZINC000452322397 385688133 /nfs/dbraw/zinc/68/81/33/385688133.db2.gz PRFQHGCLSVBFDL-UHFFFAOYSA-N 0 3 208.252 0.752 20 0 BCADHN CN(CCNC(=O)N1CC[C@H](CO)C1)C1CC1 ZINC000331524663 385690622 /nfs/dbraw/zinc/69/06/22/385690622.db2.gz VBNMTEQWFILSAA-JTQLQIEISA-N 0 3 241.335 0.104 20 0 BCADHN C[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H](C)N1C ZINC000645229587 385691607 /nfs/dbraw/zinc/69/16/07/385691607.db2.gz MTTIEEJCSOENHJ-TXEJJXNPSA-N 0 3 249.358 0.910 20 0 BCADHN CN(C)CC1(NC(=O)c2csnn2)CCC1 ZINC000281684391 385692799 /nfs/dbraw/zinc/69/27/99/385692799.db2.gz KWFIPDJQQCMCKW-UHFFFAOYSA-N 0 3 240.332 0.752 20 0 BCADHN C[C@@H](NCCC(=O)NC(N)=O)c1ccccc1 ZINC000281738787 385697642 /nfs/dbraw/zinc/69/76/42/385697642.db2.gz IJTJTHFCHGLLEL-SECBINFHSA-N 0 3 235.287 0.922 20 0 BCADHN CN(CCOCCO)CC1=CCCOC1 ZINC000337540346 385699336 /nfs/dbraw/zinc/69/93/36/385699336.db2.gz JZRKBPZBFQWCJC-UHFFFAOYSA-N 0 3 215.293 0.274 20 0 BCADHN C[C@H](O)CN[C@]1(CO)CCOc2ccccc21 ZINC000281761466 385700018 /nfs/dbraw/zinc/70/00/18/385700018.db2.gz RRLTWYAZMOSNOP-GWCFXTLKSA-N 0 3 237.299 0.627 20 0 BCADHN CC[C@]1(CO)CCCN1C[C@H]1CN(C)C(=O)O1 ZINC000495732706 385702257 /nfs/dbraw/zinc/70/22/57/385702257.db2.gz XOWGYCVQDKIKFR-ZYHUDNBSSA-N 0 3 242.319 0.674 20 0 BCADHN CN(C)CC1(NC(=O)c2nccnc2N)CCC1 ZINC000281839625 385707451 /nfs/dbraw/zinc/70/74/51/385707451.db2.gz XATQYTJBFUHJDB-UHFFFAOYSA-N 0 3 249.318 0.273 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000337570484 385708812 /nfs/dbraw/zinc/70/88/12/385708812.db2.gz QWZXHXLZZRZIHI-SRVKXCTJSA-N 0 3 240.347 0.843 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C1=CCCC1 ZINC000337559960 385710879 /nfs/dbraw/zinc/71/08/79/385710879.db2.gz JKUBWOXBRFASLB-LBPRGKRZSA-N 0 3 226.320 0.526 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCOC[C@H]1C ZINC000337580539 385715083 /nfs/dbraw/zinc/71/50/83/385715083.db2.gz BNOLXNUYTZLNON-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1ccc(O)c(CN(C)CCC(N)=O)n1 ZINC000289876033 385715940 /nfs/dbraw/zinc/71/59/40/385715940.db2.gz VWYBDUUOXYJOFM-UHFFFAOYSA-N 0 3 223.276 0.403 20 0 BCADHN Cc1ccc([O-])c(C[N@H+](C)CCC(N)=O)n1 ZINC000289876033 385715943 /nfs/dbraw/zinc/71/59/43/385715943.db2.gz VWYBDUUOXYJOFM-UHFFFAOYSA-N 0 3 223.276 0.403 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+](C)CCC(N)=O)n1 ZINC000289876033 385715948 /nfs/dbraw/zinc/71/59/48/385715948.db2.gz VWYBDUUOXYJOFM-UHFFFAOYSA-N 0 3 223.276 0.403 20 0 BCADHN CCN(CC)CC(=O)N(CCO)C1CCC1 ZINC000337597535 385718729 /nfs/dbraw/zinc/71/87/29/385718729.db2.gz LOBPCIAXOWZWKE-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN CCN(CC)CC(=O)N(CC)CC(=O)OC ZINC000337459076 385669995 /nfs/dbraw/zinc/66/99/95/385669995.db2.gz OJHPEGIUHZSKMP-UHFFFAOYSA-N 0 3 230.308 0.350 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3ccc(=O)[nH]c3)[C@@H]2C1 ZINC000644819413 385670624 /nfs/dbraw/zinc/67/06/24/385670624.db2.gz RORBOZQCVFGKAJ-WDEREUQCSA-N 0 3 247.298 0.563 20 0 BCADHN C[C@H](O)CN(CCO)CCc1ccncc1 ZINC000289923611 385729625 /nfs/dbraw/zinc/72/96/25/385729625.db2.gz UKOPLYXSYVPSGW-NSHDSACASA-N 0 3 224.304 0.299 20 0 BCADHN CCCCN(CCn1ccnc1C)CC(N)=O ZINC000270697613 385730613 /nfs/dbraw/zinc/73/06/13/385730613.db2.gz ZIQYKYXXLOVJFE-UHFFFAOYSA-N 0 3 238.335 0.779 20 0 BCADHN CCOC[C@H](O)CN[C@H](C)c1cn(C)nc1C ZINC000336692396 385733322 /nfs/dbraw/zinc/73/33/22/385733322.db2.gz HUCZEKMTBLOIGA-MWLCHTKSSA-N 0 3 241.335 0.777 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@](O)(CC)C1 ZINC000337622364 385735022 /nfs/dbraw/zinc/73/50/22/385735022.db2.gz HEEFHATXVBURLQ-LBPRGKRZSA-N 0 3 228.336 0.702 20 0 BCADHN Cc1cn[nH]c1CN[C@@H](C)C[S@@](C)=O ZINC000336654789 385739659 /nfs/dbraw/zinc/73/96/59/385739659.db2.gz MWQCNDNEYPCEAR-RMLUDKJBSA-N 0 3 215.322 0.575 20 0 BCADHN C[C@@H](NCCCS(C)(=O)=O)c1cn[nH]c1 ZINC000336694934 385743848 /nfs/dbraw/zinc/74/38/48/385743848.db2.gz NTPKVTUTKJCTHO-MRVPVSSYSA-N 0 3 231.321 0.495 20 0 BCADHN CN(C)CCN(Cc1cccs1)C(=O)CO ZINC000270790161 385744558 /nfs/dbraw/zinc/74/45/58/385744558.db2.gz LXKLUHOXQFIUQF-UHFFFAOYSA-N 0 3 242.344 0.631 20 0 BCADHN C[C@H](C(=O)N[C@H]1C[C@@H](O)C1)N1[C@H](C)CC[C@H]1C ZINC000408463084 385745971 /nfs/dbraw/zinc/74/59/71/385745971.db2.gz BADZFSUCPMCSKL-OOCWMUITSA-N 0 3 240.347 0.887 20 0 BCADHN C[NH2+]CCCNCc1nc(C)ccc1[O-] ZINC000414860353 385746979 /nfs/dbraw/zinc/74/69/79/385746979.db2.gz PLRKHNGLQVTLSU-UHFFFAOYSA-N 0 3 209.293 0.795 20 0 BCADHN CC(C)[C@H](C)NC(=O)CNC(C)(C)CC(N)=O ZINC000186239018 385752204 /nfs/dbraw/zinc/75/22/04/385752204.db2.gz RLEKSQWZGUMIRA-VIFPVBQESA-N 0 3 243.351 0.391 20 0 BCADHN CSCCCNC(=O)CCOC1CNC1 ZINC000309635575 385758644 /nfs/dbraw/zinc/75/86/44/385758644.db2.gz MHVWUYZZGPVFIC-UHFFFAOYSA-N 0 3 232.349 0.234 20 0 BCADHN COC(=O)C(C)(C)N(C)C(=O)/C=C/CN(C)C ZINC000493679264 533145703 /nfs/dbraw/zinc/14/57/03/533145703.db2.gz ADHLFKLOQMZQAC-BQYQJAHWSA-N 0 3 242.319 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ZINC000408081442 385784395 /nfs/dbraw/zinc/78/43/95/385784395.db2.gz SKAZBHQFNKBZKB-WDEREUQCSA-N 0 3 243.303 0.021 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCN(C)C1)c1cncs1 ZINC000309590024 385720636 /nfs/dbraw/zinc/72/06/36/385720636.db2.gz UNLDDVXFPZMMPI-KOLCDFICSA-N 0 3 241.360 0.860 20 0 BCADHN C[C@@H](N)C(=O)N1CCCO[C@H]2CCC[C@H]21 ZINC000309592588 385722818 /nfs/dbraw/zinc/72/28/18/385722818.db2.gz HFRTZSCAUINCGF-BBBLOLIVSA-N 0 3 212.293 0.504 20 0 BCADHN CC(C)[C@@H](CO)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000309597615 385724525 /nfs/dbraw/zinc/72/45/25/385724525.db2.gz IZQIYTTWCSWEGZ-GHMZBOCLSA-N 0 3 249.376 0.418 20 0 BCADHN O=S1(=O)CCC[C@H](NC[C@H](CO)C2CC2)C1 ZINC000309596154 385725162 /nfs/dbraw/zinc/72/51/62/385725162.db2.gz URYMJSIUOVLREW-MNOVXSKESA-N 0 3 247.360 0.172 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CCSC1 ZINC000186818828 385798567 /nfs/dbraw/zinc/79/85/67/385798567.db2.gz KIVSINYUKIBVOA-QMMMGPOBSA-N 0 3 202.323 0.560 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cnnn2C)CN1C1CC1 ZINC000282952572 385798998 /nfs/dbraw/zinc/79/89/98/385798998.db2.gz ZISJVEQQHSMCLJ-BDAKNGLRSA-N 0 3 249.318 0.170 20 0 BCADHN COCCn1cc(CN(C)CC(C)(C)O)cn1 ZINC000271186992 385800763 /nfs/dbraw/zinc/80/07/63/385800763.db2.gz NLRMEYDYXORUIY-UHFFFAOYSA-N 0 3 241.335 0.732 20 0 BCADHN CN1CC=C(CNC(=O)c2ccn[nH]2)CC1 ZINC000271879276 385856458 /nfs/dbraw/zinc/85/64/58/385856458.db2.gz MSLWHYXGCJUJOP-UHFFFAOYSA-N 0 3 220.276 0.401 20 0 BCADHN CN(C)CCNC(=O)c1cc(C2CC2)no1 ZINC000282981948 385801616 /nfs/dbraw/zinc/80/16/16/385801616.db2.gz KKGBODSKCGKKEG-UHFFFAOYSA-N 0 3 223.276 0.843 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)/C=C/CN(C)C)CCO1 ZINC000271231753 385807979 /nfs/dbraw/zinc/80/79/79/385807979.db2.gz CFIVIVUWCVMLIX-XKFHPXPTSA-N 0 3 226.320 0.788 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000402104837 385810135 /nfs/dbraw/zinc/81/01/35/385810135.db2.gz UJTUQDQMXSVJGJ-XKNYDFJKSA-N 0 3 214.309 0.653 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000402104835 385810193 /nfs/dbraw/zinc/81/01/93/385810193.db2.gz UJTUQDQMXSVJGJ-JXUBOQSCSA-N 0 3 214.309 0.653 20 0 BCADHN CC(=O)NCCCN1CC[C@H](O)[C@@H](C)C1 ZINC000186914184 385812253 /nfs/dbraw/zinc/81/22/53/385812253.db2.gz MCAYVGZHFBQEAR-ONGXEEELSA-N 0 3 214.309 0.215 20 0 BCADHN CC(=O)NCCCN1CC[C@H](O)[C@H](C)C1 ZINC000186914165 385812298 /nfs/dbraw/zinc/81/22/98/385812298.db2.gz MCAYVGZHFBQEAR-KOLCDFICSA-N 0 3 214.309 0.215 20 0 BCADHN CC[C@H](C(N)=O)N1CCC(C)(CO)CC1 ZINC000186915444 385814016 /nfs/dbraw/zinc/81/40/16/385814016.db2.gz XIHXXRQKXBJSAH-SECBINFHSA-N 0 3 214.309 0.345 20 0 BCADHN CCOC[C@H](O)CN(C)CCc1cnccn1 ZINC000271303915 385814430 /nfs/dbraw/zinc/81/44/30/385814430.db2.gz GCRFHQIIKCVMLL-GFCCVEGCSA-N 0 3 239.319 0.348 20 0 BCADHN CN(C)CCn1nccc1NC(=O)c1cocn1 ZINC000294178948 385818421 /nfs/dbraw/zinc/81/84/21/385818421.db2.gz SXZHRKOMDAYDGT-UHFFFAOYSA-N 0 3 249.274 0.685 20 0 BCADHN CN(C)C[C@@H]1CCCN1c1nccn2cnnc12 ZINC000271332859 385818802 /nfs/dbraw/zinc/81/88/02/385818802.db2.gz LTQORASSJANZCD-JTQLQIEISA-N 0 3 246.318 0.655 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCCC(C)(C)C1 ZINC000112701984 385857505 /nfs/dbraw/zinc/85/75/05/385857505.db2.gz UAEPRXMWOBDMGT-QMMMGPOBSA-N 0 3 227.308 0.692 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NCc1ccn(C)c1 ZINC000231846304 385822970 /nfs/dbraw/zinc/82/29/70/385822970.db2.gz UAQZQZIBMUOYNK-SNVBAGLBSA-N 0 3 223.320 0.982 20 0 BCADHN CCC1(CN[C@H](C)CS(=O)(=O)CC)COC1 ZINC000336741438 385857680 /nfs/dbraw/zinc/85/76/80/385857680.db2.gz RBANUJCJQUFCQJ-SNVBAGLBSA-N 0 3 249.376 0.826 20 0 BCADHN CN(CCc1cnccn1)CCn1cccn1 ZINC000271413699 385826010 /nfs/dbraw/zinc/82/60/10/385826010.db2.gz ZFJPKNXVICCASK-UHFFFAOYSA-N 0 3 231.303 0.848 20 0 BCADHN CN(C)Cc1cccc(CNC(=O)CO)c1 ZINC000283664707 385826464 /nfs/dbraw/zinc/82/64/64/385826464.db2.gz DRYPITWYGVWSOM-UHFFFAOYSA-N 0 3 222.288 0.357 20 0 BCADHN CCc1ccc([C@@H]2CNCCN2C(=O)CN)cc1 ZINC000261716230 385826393 /nfs/dbraw/zinc/82/63/93/385826393.db2.gz DWAUUUZDVITRLF-ZDUSSCGKSA-N 0 3 247.342 0.681 20 0 BCADHN CC[C@@H](COC)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000336738038 385826532 /nfs/dbraw/zinc/82/65/32/385826532.db2.gz NZAAMSUXYRYQDF-UWVGGRQHSA-N 0 3 249.376 0.967 20 0 BCADHN COC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N ZINC000340182685 385827453 /nfs/dbraw/zinc/82/74/53/385827453.db2.gz DBKAOVOHSXWKTM-PWSUYJOCSA-N 0 3 236.315 0.708 20 0 BCADHN N[C@H](C(=O)Nc1ccccn1)C1CCOCC1 ZINC000261838082 385830747 /nfs/dbraw/zinc/83/07/47/385830747.db2.gz QKHBJVNGPQWRGN-NSHDSACASA-N 0 3 235.287 0.774 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1nccn1CC(C)C ZINC000261891924 385831354 /nfs/dbraw/zinc/83/13/54/385831354.db2.gz VIPSJQXZEFOYOW-VIFPVBQESA-N 0 3 240.307 0.451 20 0 BCADHN C[C@H]1CN(c2ccc(=O)n(C)n2)[C@@H](C)CN1C ZINC000413218732 385831964 /nfs/dbraw/zinc/83/19/64/385831964.db2.gz JVJDSFRFOQLCHA-UWVGGRQHSA-N 0 3 236.319 0.309 20 0 BCADHN C[C@@H](C(=O)NCC1=CCN(C)CC1)n1cccn1 ZINC000271889630 385858125 /nfs/dbraw/zinc/85/81/25/385858125.db2.gz OIFGRPTTWUQVFV-NSHDSACASA-N 0 3 248.330 0.822 20 0 BCADHN CCCc1cc(C(=O)NCCN(C)C)no1 ZINC000294310633 385837005 /nfs/dbraw/zinc/83/70/05/385837005.db2.gz YERFFSYDOMPHFM-UHFFFAOYSA-N 0 3 225.292 0.919 20 0 BCADHN CCCCN(C)CCNC(=O)[C@H](C)OC ZINC000112309883 385837308 /nfs/dbraw/zinc/83/73/08/385837308.db2.gz YNLLMAOZSFVMCE-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN C[C@H](N[C@@H]1CCC[C@]1(C)CO)C(=O)NC1CC1 ZINC000331684026 385840175 /nfs/dbraw/zinc/84/01/75/385840175.db2.gz UETAZNLMTMTCKU-UFGOTCBOSA-N 0 3 240.347 0.794 20 0 BCADHN CSCC[C@H](CO)NCc1cnc(C)nc1 ZINC000336717928 385840316 /nfs/dbraw/zinc/84/03/16/385840316.db2.gz XDAXKMSEUHUZKY-LLVKDONJSA-N 0 3 241.360 0.989 20 0 BCADHN CC(C)c1ccc([C@@H](N)CNC(=O)CN)cc1 ZINC000262438406 385845702 /nfs/dbraw/zinc/84/57/02/385845702.db2.gz MPEWHDCKHQDTSE-LBPRGKRZSA-N 0 3 235.331 0.885 20 0 BCADHN Cc1ccc([O-])c(CN[C@H]2CCC[NH2+]C2)n1 ZINC000414870445 385846923 /nfs/dbraw/zinc/84/69/23/385846923.db2.gz SQKBSEDQHCJTOO-JTQLQIEISA-N 0 3 221.304 0.937 20 0 BCADHN CN1CC=C(CNC(=O)C2=COCCO2)CC1 ZINC000271898260 385858969 /nfs/dbraw/zinc/85/89/69/385858969.db2.gz POVLCRVGOYEVSQ-UHFFFAOYSA-N 0 3 238.287 0.253 20 0 BCADHN CCN[C@H](C)C(=O)N(C)Cc1cnn(CC)c1 ZINC000638118397 385853571 /nfs/dbraw/zinc/85/35/71/385853571.db2.gz TWGIDKZTMCCLPC-SNVBAGLBSA-N 0 3 238.335 0.859 20 0 BCADHN CCC[C@H](C(=O)N[C@H](C)CC(=O)OC)N(C)C ZINC000337943582 385853942 /nfs/dbraw/zinc/85/39/42/385853942.db2.gz GXBSGIABSATKIP-NXEZZACHSA-N 0 3 244.335 0.785 20 0 BCADHN COCC[C@H](C)CNC(=O)N(C)CCN(C)C ZINC000413662723 385854595 /nfs/dbraw/zinc/85/45/95/385854595.db2.gz VMTPPLCXQDMMCZ-NSHDSACASA-N 0 3 245.367 0.862 20 0 BCADHN CSCC[C@@H](CO)NCc1n[nH]cc1C ZINC000336740270 385790021 /nfs/dbraw/zinc/79/00/21/385790021.db2.gz UCNQDHMYLLPUBF-VIFPVBQESA-N 0 3 229.349 0.922 20 0 BCADHN COC(=O)[C@H]1CCN(Cc2cnn(C)c2C)C1 ZINC000260107274 385790567 /nfs/dbraw/zinc/79/05/67/385790567.db2.gz QHVKHTZSSBSQBK-JTQLQIEISA-N 0 3 237.303 0.723 20 0 BCADHN CC[C@H]1CCN1CCN1C(=O)NC(C)(C)C1=O ZINC000408381730 385792866 /nfs/dbraw/zinc/79/28/66/385792866.db2.gz NMJZDHJLTWKVAP-VIFPVBQESA-N 0 3 239.319 0.801 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2ccncc2)[C@H]1C ZINC000071521336 385793794 /nfs/dbraw/zinc/79/37/94/385793794.db2.gz OBXRFQXQQROACM-UWVGGRQHSA-N 0 3 219.288 0.904 20 0 BCADHN COC[C@@H]1CCN(C(=O)NCCN(C)C)C1 ZINC000337813571 385794611 /nfs/dbraw/zinc/79/46/11/385794611.db2.gz NMBPLQZNVSEXEI-SNVBAGLBSA-N 0 3 229.324 0.226 20 0 BCADHN COCCNCCNCc1ccnn1C(C)C ZINC000414867168 385794548 /nfs/dbraw/zinc/79/45/48/385794548.db2.gz BVBVOESLSHPEFV-UHFFFAOYSA-N 0 3 240.351 0.790 20 0 BCADHN COC(=O)C(C)(C)CCN[C@@H]1CC(=O)N(C)C1 ZINC000354157334 385794661 /nfs/dbraw/zinc/79/46/61/385794661.db2.gz HJUBLHOMUMJKMK-SECBINFHSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccncc2)[C@H]1C ZINC000071521335 385794849 /nfs/dbraw/zinc/79/48/49/385794849.db2.gz OBXRFQXQQROACM-ZJUUUORDSA-N 0 3 219.288 0.904 20 0 BCADHN CN(C)CCNC(=O)/C=C/c1ccncn1 ZINC000272254422 385888202 /nfs/dbraw/zinc/88/82/02/385888202.db2.gz 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INMCEIIADKFJGY-NXEZZACHSA-N 0 3 241.335 0.064 20 0 BCADHN CC[C@H](C(=O)N(CC)C1COC1)N(C)C ZINC000413870486 385908404 /nfs/dbraw/zinc/90/84/04/385908404.db2.gz ZRGZRDXSRZLVNN-SNVBAGLBSA-N 0 3 214.309 0.574 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)C1(N)CCOCC1 ZINC000338154757 385909341 /nfs/dbraw/zinc/90/93/41/385909341.db2.gz SSPBOMDISFAPKU-ZJUUUORDSA-N 0 3 244.335 0.018 20 0 BCADHN COC(=O)C1=C(C)O[C@@H](CN2CC[C@H](O)C2)C1 ZINC000272550040 385910294 /nfs/dbraw/zinc/91/02/94/385910294.db2.gz ORRLQKPKCKDBEK-VHSXEESVSA-N 0 3 241.287 0.289 20 0 BCADHN CCOc1cc(C(=O)NCCN(C)CC)on1 ZINC000294918271 385917005 /nfs/dbraw/zinc/91/70/05/385917005.db2.gz KBBIVZXEOKZSRX-UHFFFAOYSA-N 0 3 241.291 0.755 20 0 BCADHN C[C@H](CCN(C)C)NC(=O)c1cc(C=O)c[nH]1 ZINC000294930910 385919238 /nfs/dbraw/zinc/91/92/38/385919238.db2.gz XMETXTIGJAUQMW-SECBINFHSA-N 0 3 237.303 0.897 20 0 BCADHN CO[C@H](C)CNC(=O)CN(C)C(C)C ZINC000189072995 385920944 /nfs/dbraw/zinc/92/09/44/385920944.db2.gz LMKXGZIOWMJEFT-SECBINFHSA-N 0 3 202.298 0.478 20 0 BCADHN CN(Cc1ccc(C(N)=O)cc1)C1(CO)CC1 ZINC000285396000 385921622 /nfs/dbraw/zinc/92/16/22/385921622.db2.gz DVGCFSYFHYNSQW-UHFFFAOYSA-N 0 3 234.299 0.742 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@@H]2CCC[C@@H](O)C2)C1 ZINC000414006098 385922172 /nfs/dbraw/zinc/92/21/72/385922172.db2.gz OSTQGXQKHMWOKI-GRYCIOLGSA-N 0 3 240.347 0.748 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@@H]2CCC[C@H](O)C2)C1 ZINC000414006101 385923393 /nfs/dbraw/zinc/92/33/93/385923393.db2.gz OSTQGXQKHMWOKI-WOPDTQHZSA-N 0 3 240.347 0.748 20 0 BCADHN CCC[C@](C)(NC(=O)[C@@H](N)CC)C(=O)OC ZINC000236820301 259678258 /nfs/dbraw/zinc/67/82/58/259678258.db2.gz XIBIVRKBNPTUEI-KWQFWETISA-N 0 3 230.308 0.572 20 0 BCADHN COC[C@@H](CCO)N[C@H](C)c1ccnn1C ZINC000219273722 385925326 /nfs/dbraw/zinc/92/53/26/385925326.db2.gz VTPGTDDGNQRFAF-NXEZZACHSA-N 0 3 227.308 0.468 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)NCCN(C)C)CS1 ZINC000413677361 385859374 /nfs/dbraw/zinc/85/93/74/385859374.db2.gz JENQLNFFCAKNIQ-RKDXNWHRSA-N 0 3 231.365 0.741 20 0 BCADHN CO[C@@]1(C)C[C@H](N(C)C(=O)CN)C1(C)C ZINC000121652119 385860499 /nfs/dbraw/zinc/86/04/99/385860499.db2.gz LZLWYUCXHHZODU-KWQFWETISA-N 0 3 214.309 0.607 20 0 BCADHN Cc1cn[nH]c1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644839169 385860671 /nfs/dbraw/zinc/86/06/71/385860671.db2.gz WNIRSVHDWVMMJI-MYJAWHEDSA-N 0 3 207.277 0.388 20 0 BCADHN CCN(CCO)CCc1ccnn1CC ZINC000284370406 385864087 /nfs/dbraw/zinc/86/40/87/385864087.db2.gz LFUNHXFVKPPZSV-UHFFFAOYSA-N 0 3 211.309 0.760 20 0 BCADHN CC[C@H](C(=O)N[C@@](C)(CCO)COC)N(C)C ZINC000413705628 385864836 /nfs/dbraw/zinc/86/48/36/385864836.db2.gz ZOXUBRSSXSKNNQ-PWSUYJOCSA-N 0 3 246.351 0.230 20 0 BCADHN COC[C@@H]1CCN(C(=O)N(C)CCN(C)C)C1 ZINC000337977471 385865033 /nfs/dbraw/zinc/86/50/33/385865033.db2.gz GZFNCIQBKQADSR-LLVKDONJSA-N 0 3 243.351 0.568 20 0 BCADHN CC(C)(C)OC[C@@H](O)CN1CC[C@@H](O)C1 ZINC000337978364 385865941 /nfs/dbraw/zinc/86/59/41/385865941.db2.gz JTCPYQVRPACBGE-ZJUUUORDSA-N 0 3 217.309 0.229 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)c1cnc(C)[nH]1 ZINC000335036915 385927815 /nfs/dbraw/zinc/92/78/15/385927815.db2.gz WWNVKOGMWCPYJE-SNVBAGLBSA-N 0 3 236.319 0.932 20 0 BCADHN COC[C@@H](O)CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000272007204 385868240 /nfs/dbraw/zinc/86/82/40/385868240.db2.gz ADFPRTZYZGSAFU-QWRGUYRKSA-N 0 3 239.319 0.596 20 0 BCADHN CN1C[C@H]2CCN(Cc3cc[nH]n3)[C@H]2C1 ZINC000644840521 385868710 /nfs/dbraw/zinc/86/87/10/385868710.db2.gz KWSKQCXGHSHOAG-KOLCDFICSA-N 0 3 206.293 0.546 20 0 BCADHN COC[C@H](CN[C@@H](C)c1ccnn1C)OC ZINC000219297413 385928080 /nfs/dbraw/zinc/92/80/80/385928080.db2.gz VDCJKLZZOIRZQS-UWVGGRQHSA-N 0 3 227.308 0.732 20 0 BCADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CO ZINC000272069100 385874360 /nfs/dbraw/zinc/87/43/60/385874360.db2.gz UDWZMVKAGDUWOI-LLVKDONJSA-N 0 3 236.315 0.615 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cnn(C)n2)CN1C1CC1 ZINC000284547500 385876211 /nfs/dbraw/zinc/87/62/11/385876211.db2.gz BFEPXPKYDJKSQY-BDAKNGLRSA-N 0 3 249.318 0.170 20 0 BCADHN C[C@@H]1C[C@H](CNC(=O)NCCN(C)C)[C@H](C)O1 ZINC000413750815 385877730 /nfs/dbraw/zinc/87/77/30/385877730.db2.gz LOXFUHCZFCVJAY-OUAUKWLOSA-N 0 3 243.351 0.661 20 0 BCADHN C[C@@H](NC(=O)c1cn[nH]c1)C1=CCN(C)CC1 ZINC000272742896 385928323 /nfs/dbraw/zinc/92/83/23/385928323.db2.gz CZGXWWVQGCWDQJ-SECBINFHSA-N 0 3 234.303 0.790 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](O)C[C@@H]1C)N(C)C ZINC000413774546 385882013 /nfs/dbraw/zinc/88/20/13/385882013.db2.gz PGGKKXQXXPIKIO-LPEHRKFASA-N 0 3 214.309 0.308 20 0 BCADHN O=C1CCN(CNCCCn2cccn2)CC1 ZINC000273146138 385975791 /nfs/dbraw/zinc/97/57/91/385975791.db2.gz XYRSKVDSHNKYLO-UHFFFAOYSA-N 0 3 236.319 0.485 20 0 BCADHN C[C@@H]1[C@@H](C)CC[N@@H+]1CCCOC([O-])=NC(N)=O ZINC000093178703 385976104 /nfs/dbraw/zinc/97/61/04/385976104.db2.gz VIFVYXKUVIRNPN-DTWKUNHWSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@@H]1[C@@H](C)CC[N@H+]1CCCOC([O-])=NC(N)=O ZINC000093178703 385976110 /nfs/dbraw/zinc/97/61/10/385976110.db2.gz VIFVYXKUVIRNPN-DTWKUNHWSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@@H]1[C@@H](C)CC[N@@H+]1CCCOC(=O)N=C(N)[O-] ZINC000093178703 385976115 /nfs/dbraw/zinc/97/61/15/385976115.db2.gz VIFVYXKUVIRNPN-DTWKUNHWSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@@H]1[C@@H](C)CC[N@H+]1CCCOC(=O)N=C(N)[O-] ZINC000093178703 385976121 /nfs/dbraw/zinc/97/61/21/385976121.db2.gz VIFVYXKUVIRNPN-DTWKUNHWSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@H]1[C@@H](NCc2cc[nH]n2)CCCN1C ZINC000336748773 385988617 /nfs/dbraw/zinc/98/86/17/385988617.db2.gz DSFJUYJCCCRXGR-ONGXEEELSA-N 0 3 208.309 0.982 20 0 BCADHN C[C@@H](O)CCN1CCN(CC[C@H](C)O)[C@@H](C)C1 ZINC000425416550 385992857 /nfs/dbraw/zinc/99/28/57/385992857.db2.gz LKRISOJDCSOGSL-XQQFMLRXSA-N 0 3 244.379 0.534 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)N(C)c2ccn(C)n2)C1 ZINC000335039831 385930514 /nfs/dbraw/zinc/93/05/14/385930514.db2.gz UNFASXWMZCIJBU-VHSXEESVSA-N 0 3 236.319 0.771 20 0 BCADHN CC(C)CN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000335040350 385932404 /nfs/dbraw/zinc/93/24/04/385932404.db2.gz OUUILKXIOJKOPX-UWVGGRQHSA-N 0 3 212.293 0.232 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC[C@@]2(CCOC2)C1 ZINC000335041629 385932687 /nfs/dbraw/zinc/93/26/87/385932687.db2.gz UNDZLOJLOVEDKM-DGCLKSJQSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCN2CCC1CC2 ZINC000335040760 385933609 /nfs/dbraw/zinc/93/36/09/385933609.db2.gz ZRMGKMFMFZACOT-PWSUYJOCSA-N 0 3 239.363 0.666 20 0 BCADHN Cn1cccc1CN1CCC(OCCO)CC1 ZINC000354035060 385942628 /nfs/dbraw/zinc/94/26/28/385942628.db2.gz VKPJDLYHFTUIGN-UHFFFAOYSA-N 0 3 238.331 0.998 20 0 BCADHN C[C@@H]1[C@H](CO)CCCN1C(=O)[C@H]1CCCN1C ZINC000414072680 385946177 /nfs/dbraw/zinc/94/61/77/385946177.db2.gz NQVTYWBODVKZJY-GRYCIOLGSA-N 0 3 240.347 0.700 20 0 BCADHN COC1(C(=O)N2CCN3CCC[C@H]3C2)CCC1 ZINC000335050933 385947074 /nfs/dbraw/zinc/94/70/74/385947074.db2.gz DYJNJTRSAFLSTM-NSHDSACASA-N 0 3 238.331 0.862 20 0 BCADHN CCC(=O)N[C@H]1CCCN(CC[C@H](C)O)C1 ZINC000425398637 385948664 /nfs/dbraw/zinc/94/86/64/385948664.db2.gz NXOUIMKXXADVRV-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN CCC(=O)N[C@H]1CCCN(CC[C@@H](C)O)C1 ZINC000425398636 385948828 /nfs/dbraw/zinc/94/88/28/385948828.db2.gz NXOUIMKXXADVRV-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN Cc1cnn(CCN[C@@H](CO)[C@@H]2CCCO2)c1 ZINC000342161554 385950408 /nfs/dbraw/zinc/95/04/08/385950408.db2.gz JANJZYRKAOSCOH-RYUDHWBXSA-N 0 3 239.319 0.321 20 0 BCADHN Cc1cnn(CCN(C)CC2(CO)CC2)c1 ZINC000342163065 385950636 /nfs/dbraw/zinc/95/06/36/385950636.db2.gz KGGWOPVJALPVHR-UHFFFAOYSA-N 0 3 223.320 0.896 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](C)OC)N(C)C ZINC000189209784 385952491 /nfs/dbraw/zinc/95/24/91/385952491.db2.gz NIDXUBSPVFUTEA-BDAKNGLRSA-N 0 3 202.298 0.478 20 0 BCADHN Cc1nc(C2CCN(CCO)CC2)n[nH]1 ZINC000366002543 385955303 /nfs/dbraw/zinc/95/53/03/385955303.db2.gz DMCISWZDIIOLDB-UHFFFAOYSA-N 0 3 210.281 0.285 20 0 BCADHN C[C@H](CO)NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345099351 385993948 /nfs/dbraw/zinc/99/39/48/385993948.db2.gz PBILHICHDPYDHU-OPRDCNLKSA-N 0 3 229.324 0.149 20 0 BCADHN CNC(=O)C[C@H](C)N[C@H]1C=C[C@@H](CO)C1 ZINC000345048218 385963129 /nfs/dbraw/zinc/96/31/29/385963129.db2.gz DJVOQPJYEWKBBN-AEJSXWLSSA-N 0 3 212.293 0.038 20 0 BCADHN CCCCN(CC(N)=O)C[C@H](OC)C1CC1 ZINC000425404689 385965900 /nfs/dbraw/zinc/96/59/00/385965900.db2.gz KEHNXKYHRKEDAK-NSHDSACASA-N 0 3 228.336 0.999 20 0 BCADHN C[C@@H](NCc1ccn(C)c1)C(=O)NCCF ZINC000282748561 385970228 /nfs/dbraw/zinc/97/02/28/385970228.db2.gz SFPZGLQZHSWMQG-SECBINFHSA-N 0 3 227.283 0.589 20 0 BCADHN CC(C)[C@H](CO)CNCc1ccnn1C ZINC000336747236 385970527 /nfs/dbraw/zinc/97/05/27/385970527.db2.gz CEXZHXVULPEWLH-JTQLQIEISA-N 0 3 211.309 0.774 20 0 BCADHN COC[C@@H](O)CN[C@H](CO)c1ccc(F)cc1 ZINC000273131691 385971117 /nfs/dbraw/zinc/97/11/17/385971117.db2.gz RQRHEHWKDQCFRX-NWDGAFQWSA-N 0 3 243.278 0.456 20 0 BCADHN CCCCOC1CCN(C(=O)CN)CC1 ZINC000336749610 385997656 /nfs/dbraw/zinc/99/76/56/385997656.db2.gz UHEBGABKBNUGMX-UHFFFAOYSA-N 0 3 214.309 0.753 20 0 BCADHN CN(Cc1ncc[nH]1)C[C@H]1CCCN1C ZINC000643256262 386001332 /nfs/dbraw/zinc/00/13/32/386001332.db2.gz MSSKXIMZNZFRQL-SNVBAGLBSA-N 0 3 208.309 0.936 20 0 BCADHN CCOCCNC(=O)C(N)C(F)(F)F ZINC000336750040 386001646 /nfs/dbraw/zinc/00/16/46/386001646.db2.gz FLXVTOAEZVLTMX-RXMQYKEDSA-N 0 3 214.187 0.029 20 0 BCADHN CS(=O)(=O)NCCCNCc1cncs1 ZINC000124221753 386002734 /nfs/dbraw/zinc/00/27/34/386002734.db2.gz RDXZCBGHVRZRCN-UHFFFAOYSA-N 0 3 249.361 0.172 20 0 BCADHN Cc1n[nH]c(C)c1CNCCC[S@@](C)=O ZINC000124229540 386003380 /nfs/dbraw/zinc/00/33/80/386003380.db2.gz ISPMYHLASLQGNB-HNNXBMFYSA-N 0 3 229.349 0.885 20 0 BCADHN Cc1ccccc1[C@@H](N)C(=O)N1CCN[C@H](C)C1 ZINC000295285002 386004402 /nfs/dbraw/zinc/00/44/02/386004402.db2.gz WQBJQEJVVJESLW-DGCLKSJQSA-N 0 3 247.342 0.815 20 0 BCADHN CN(CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC000365286827 386007361 /nfs/dbraw/zinc/00/73/61/386007361.db2.gz UEPQSHJIGOQCHL-UTUOFQBUSA-N 0 3 238.331 0.764 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@@H]1CCCCO1 ZINC000162236089 386056113 /nfs/dbraw/zinc/05/61/13/386056113.db2.gz BTOWYLWCHWUGMB-QWRGUYRKSA-N 0 3 249.376 0.968 20 0 BCADHN CC(C)N(C[C@@H](C)O)C[C@H]1CCS(=O)(=O)C1 ZINC000408399345 386010709 /nfs/dbraw/zinc/01/07/09/386010709.db2.gz GVWHMPDOTOXHDQ-GHMZBOCLSA-N 0 3 249.376 0.512 20 0 BCADHN C[C@@H]1CN(CC(C)(C)O)CCN1CCCCO ZINC000189473871 386013559 /nfs/dbraw/zinc/01/35/59/386013559.db2.gz OPAKEOKHYDMNAT-GFCCVEGCSA-N 0 3 244.379 0.536 20 0 BCADHN COC[C@H](O)CNCc1cnc2cccc(C)n12 ZINC000338473072 386015114 /nfs/dbraw/zinc/01/51/14/386015114.db2.gz IZNLPVOXKCRJEW-GFCCVEGCSA-N 0 3 249.314 0.740 20 0 BCADHN Cc1cc(CN[C@@H]2COC[C@@H]2O)cs1 ZINC000307472118 386015370 /nfs/dbraw/zinc/01/53/70/386015370.db2.gz AGJMAUUWIRSTLN-ZJUUUORDSA-N 0 3 213.302 0.906 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000307441376 386015742 /nfs/dbraw/zinc/01/57/42/386015742.db2.gz NIKJVYJGHJCTPU-BZNPZCIMSA-N 0 3 200.282 0.406 20 0 BCADHN O=C(CN1CCC[C@@H]1[C@H]1CCCO1)N1CCC1 ZINC000334433656 386056514 /nfs/dbraw/zinc/05/65/14/386056514.db2.gz 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0 3 240.303 0.577 20 0 BCADHN C([C@H]1CCCOC1)N1CCO[C@]2(CCOC2)C1 ZINC000346153722 386168774 /nfs/dbraw/zinc/16/87/74/386168774.db2.gz RCUGFLMSGFJNMH-CHWSQXEVSA-N 0 3 241.331 0.904 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@H](O)C(C)(C)C1 ZINC000303799167 386169176 /nfs/dbraw/zinc/16/91/76/386169176.db2.gz ZMZOSRQSSDMHEG-ZJUUUORDSA-N 0 3 228.336 0.556 20 0 BCADHN CCOC[C@H](O)CN1CC[C@H](O)C(C)(C)C1 ZINC000303799137 386170069 /nfs/dbraw/zinc/17/00/69/386170069.db2.gz ZLKFFWBTPZBQOJ-MNOVXSKESA-N 0 3 231.336 0.477 20 0 BCADHN CO[C@@H](CN(C)C(C)(C)C(N)=O)C1CC1 ZINC000425488473 386170282 /nfs/dbraw/zinc/17/02/82/386170282.db2.gz WXPQJWVIVPIINN-VIFPVBQESA-N 0 3 214.309 0.607 20 0 BCADHN CO[C@@H](C(=O)N[C@H](C)CN(C)C)C1CC1 ZINC000346167612 386172602 /nfs/dbraw/zinc/17/26/02/386172602.db2.gz GFYQPTUGCUUKJT-PSASIEDQSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1cncc(F)c1 ZINC000346219156 386173768 /nfs/dbraw/zinc/17/37/68/386173768.db2.gz KDVUNGYEAWTLSN-MRVPVSSYSA-N 0 3 225.267 0.901 20 0 BCADHN C[C@@H](O)CCN1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000425495740 386175565 /nfs/dbraw/zinc/17/55/65/386175565.db2.gz SXBDUFJUSWQLMQ-GRYCIOLGSA-N 0 3 230.352 0.144 20 0 BCADHN Cc1ccnc([C@H](C)NC[C@H](O)CN(C)C)c1 ZINC000353506464 386178034 /nfs/dbraw/zinc/17/80/34/386178034.db2.gz YPUCEPFULQCAKY-RYUDHWBXSA-N 0 3 237.347 0.963 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1CCSC1 ZINC000346234963 386178623 /nfs/dbraw/zinc/17/86/23/386178623.db2.gz XALGZHOJGMIAPI-BDAKNGLRSA-N 0 3 216.350 0.806 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@@H](OC)C1CC1 ZINC000425496096 386179680 /nfs/dbraw/zinc/17/96/80/386179680.db2.gz UKZWKWZEJBGLCH-IJLUTSLNSA-N 0 3 229.320 0.805 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H]1CCC(C)(C)O1 ZINC000346230732 386179694 /nfs/dbraw/zinc/17/96/94/386179694.db2.gz UAFUAQGATUHOHX-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN COc1nccnc1CNC[C@@H]1CCCN1C ZINC000296558104 386184431 /nfs/dbraw/zinc/18/44/31/386184431.db2.gz VAMOMRJRDBUHIH-JTQLQIEISA-N 0 3 236.319 0.669 20 0 BCADHN CSC[C@@H](O)CN(C)CCc1cnccn1 ZINC000275142819 386186407 /nfs/dbraw/zinc/18/64/07/386186407.db2.gz DXIAZBXPIKBVLW-NSHDSACASA-N 0 3 241.360 0.675 20 0 BCADHN CC[C@H](C(=O)NCCC[C@@H](O)CC)N(C)C ZINC000338960682 386191404 /nfs/dbraw/zinc/19/14/04/386191404.db2.gz GZFBTQYNKMAJJM-WDEREUQCSA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@H](C)CS(=O)(=O)N[C@@H]1CNCC[C@H]1C ZINC000440842851 386187317 /nfs/dbraw/zinc/18/73/17/386187317.db2.gz LMRAVANHMGYTDI-HBNTYKKESA-N 0 3 248.392 0.950 20 0 BCADHN CCC[C@@](C)(O)CNC(=O)[C@H](CC)N(C)C ZINC000338967939 386187816 /nfs/dbraw/zinc/18/78/16/386187816.db2.gz XQAMWGVCHMRECI-CMPLNLGQSA-N 0 3 230.352 0.994 20 0 BCADHN C[C@@H]1COCC[C@H]1C(=O)NCCN(C)C1CC1 ZINC000345850108 386126582 /nfs/dbraw/zinc/12/65/82/386126582.db2.gz QIZVWBHFSALJPE-ZYHUDNBSSA-N 0 3 240.347 0.869 20 0 BCADHN CCN(C)CCNC(=O)c1cnn(CCF)c1 ZINC000287509309 386129006 /nfs/dbraw/zinc/12/90/06/386129006.db2.gz QRCCRDSKQJJKFH-UHFFFAOYSA-N 0 3 242.298 0.534 20 0 BCADHN CCCOCC(=O)NCCN1CC[C@@H](C)C1 ZINC000525805251 386132515 /nfs/dbraw/zinc/13/25/15/386132515.db2.gz GEADVZIAIWEBSJ-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2csnn2)C1 ZINC000525805549 386132860 /nfs/dbraw/zinc/13/28/60/386132860.db2.gz QCVGRWVXWHDJQM-MRVPVSSYSA-N 0 3 240.332 0.610 20 0 BCADHN O=C([C@H]1CCCOC1)N1CCCNCC1 ZINC000054768275 386137606 /nfs/dbraw/zinc/13/76/06/386137606.db2.gz XQNKKXQZIRJBBE-JTQLQIEISA-N 0 3 212.293 0.235 20 0 BCADHN CN(CCc1cn[nH]n1)CCc1nccs1 ZINC000647969439 386189331 /nfs/dbraw/zinc/18/93/31/386189331.db2.gz YNSYFMCJTFDSBM-UHFFFAOYSA-N 0 3 237.332 0.978 20 0 BCADHN CC(C)[C@@](C)(NC(=O)/C=C/CN(C)C)C(N)=O ZINC000287685660 386142455 /nfs/dbraw/zinc/14/24/55/386142455.db2.gz DKGRZEXSOVIVSA-NNNHXZLVSA-N 0 3 241.335 0.120 20 0 BCADHN C[C@@H](CNC(=O)c1ccncn1)N(C)C1CC1 ZINC000275319993 386201988 /nfs/dbraw/zinc/20/19/88/386201988.db2.gz OJKMBWZTJLQSRZ-VIFPVBQESA-N 0 3 234.303 0.689 20 0 BCADHN CCN(CC)CC(=O)N1CC([C@H]2CCOC2)C1 ZINC000366222421 386203234 /nfs/dbraw/zinc/20/32/34/386203234.db2.gz HTODNBUMBWBTMW-NSHDSACASA-N 0 3 240.347 0.823 20 0 BCADHN COCCN1CCC[C@H](C(=O)OC)C1 ZINC000097989537 386208736 /nfs/dbraw/zinc/20/87/36/386208736.db2.gz BRZLYFODZJFVNW-VIFPVBQESA-N 0 3 201.266 0.518 20 0 BCADHN c1nc2cnccn2c1CN[C@H]1CCCOC1 ZINC000288497085 386209649 /nfs/dbraw/zinc/20/96/49/386209649.db2.gz RMVZVEYPZGWQKK-JTQLQIEISA-N 0 3 232.287 0.998 20 0 BCADHN CCCNS(=O)(=O)N(C)C[C@H]1CCN(C)C1 ZINC000408357567 386210762 /nfs/dbraw/zinc/21/07/62/386210762.db2.gz LIHULXIDTIAPBC-JTQLQIEISA-N 0 3 249.380 0.114 20 0 BCADHN C[C@@H](C(=O)N[C@@H](C)C(N)=O)[C@H](N)c1ccccc1 ZINC000131670173 386213939 /nfs/dbraw/zinc/21/39/39/386213939.db2.gz ZSLAOFAOVMTPTG-YWVKMMECSA-N 0 3 249.314 0.313 20 0 BCADHN CSC[C@@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000131978330 386216224 /nfs/dbraw/zinc/21/62/24/386216224.db2.gz PQMKABURZKNEEO-RQJHMYQMSA-N 0 3 239.362 0.287 20 0 BCADHN CSC[C@@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000131977959 386217362 /nfs/dbraw/zinc/21/73/62/386217362.db2.gz PQMKABURZKNEEO-RNFRBKRXSA-N 0 3 239.362 0.287 20 0 BCADHN CO[C@@H]1CCCN(CCc2cn[nH]n2)C1 ZINC000647969671 386220361 /nfs/dbraw/zinc/22/03/61/386220361.db2.gz KFHJBWKCEMIJHL-SNVBAGLBSA-N 0 3 210.281 0.458 20 0 BCADHN C[C@@H](CNC(=O)c1cccn(C)c1=O)N(C)C ZINC000264246671 386220599 /nfs/dbraw/zinc/22/05/99/386220599.db2.gz PRTOFABUQFLKMF-VIFPVBQESA-N 0 3 237.303 0.065 20 0 BCADHN CCc1n[nH]cc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000264234507 386221481 /nfs/dbraw/zinc/22/14/81/386221481.db2.gz CYFJUNHXRXQDPR-VIFPVBQESA-N 0 3 236.319 0.654 20 0 BCADHN CNC(=O)CN[C@H]1C[C@@](C)(OC)C1(C)C ZINC000125180979 386223981 /nfs/dbraw/zinc/22/39/81/386223981.db2.gz QPNNEDMSSBQSHF-GZMMTYOYSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@@H](NC(=O)c1cn(C)nn1)C1=CCN(C)CC1 ZINC000288645194 386225512 /nfs/dbraw/zinc/22/55/12/386225512.db2.gz DEZDJSVHMHDFPO-SECBINFHSA-N 0 3 249.318 0.195 20 0 BCADHN CCN(CCO)CCN1CCCOCC1 ZINC000340290861 386227281 /nfs/dbraw/zinc/22/72/81/386227281.db2.gz PKEJBBSTXMPSJJ-UHFFFAOYSA-N 0 3 216.325 0.023 20 0 BCADHN CC(=O)C1(C(=O)NC[C@H]2CCN(C)C2)CC1 ZINC000339060218 386230582 /nfs/dbraw/zinc/23/05/82/386230582.db2.gz GUYCUGRVWCESPP-SNVBAGLBSA-N 0 3 224.304 0.424 20 0 BCADHN O=C1CCCN1[C@@H]1CCN(CCCO)C1 ZINC000336648878 386260345 /nfs/dbraw/zinc/26/03/45/386260345.db2.gz PZNPYXZBNHHQBY-SNVBAGLBSA-N 0 3 212.293 0.066 20 0 BCADHN CSC1(CN2CCC[C@H]2C(N)=O)CC1 ZINC000340562739 386231237 /nfs/dbraw/zinc/23/12/37/386231237.db2.gz FGFMQMAHXMMFLN-QMMMGPOBSA-N 0 3 214.334 0.832 20 0 BCADHN CN1CCC(N(CCO)Cc2ccccn2)CC1 ZINC000264384370 386232241 /nfs/dbraw/zinc/23/22/41/386232241.db2.gz QNKZYRHLNGALGU-UHFFFAOYSA-N 0 3 249.358 0.970 20 0 BCADHN C/C=C/C[C@H](CO)NCc1cnnn1C ZINC000274573754 386236006 /nfs/dbraw/zinc/23/60/06/386236006.db2.gz JHRLCSPXUDACAA-CDAZIORVSA-N 0 3 210.281 0.232 20 0 BCADHN COCCNCCNC(=O)Nc1cccnc1 ZINC000414899844 386260621 /nfs/dbraw/zinc/26/06/21/386260621.db2.gz GLUYLDCBUKLUDO-UHFFFAOYSA-N 0 3 238.291 0.439 20 0 BCADHN COC(=O)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC000226151521 386238646 /nfs/dbraw/zinc/23/86/46/386238646.db2.gz QMUCERMIJDYGLX-NSHDSACASA-N 0 3 237.303 0.458 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](COC)C1CC1 ZINC000125359861 386240182 /nfs/dbraw/zinc/24/01/82/386240182.db2.gz UWWQKKZFUPWCAD-IUCAKERBSA-N 0 3 200.282 0.265 20 0 BCADHN COC[C@@H](NC(=O)[C@H]1CCCCN1)C1CC1 ZINC000125359620 386241627 /nfs/dbraw/zinc/24/16/27/386241627.db2.gz ZLNIPOWCTQBNEX-GHMZBOCLSA-N 0 3 226.320 0.670 20 0 BCADHN Cc1nc(N)nc(N2CC[C@H]3CC[C@@H](C2)N3C)n1 ZINC000310717191 386243269 /nfs/dbraw/zinc/24/32/69/386243269.db2.gz GLQIDPQOVMWUFL-ZJUUUORDSA-N 0 3 248.334 0.435 20 0 BCADHN CN(C)C[C@@H]1CN([C@@H]2CCOC2)CCO1 ZINC000336642509 386245892 /nfs/dbraw/zinc/24/58/92/386245892.db2.gz AAOIECZBEKZKQZ-GHMZBOCLSA-N 0 3 214.309 0.038 20 0 BCADHN CC(C)(CC[NH3+])NC(=O)c1cc(F)c[n-]c1=O ZINC000638355446 386246893 /nfs/dbraw/zinc/24/68/93/386246893.db2.gz MQWTVTACDOZLMR-UHFFFAOYSA-N 0 3 241.266 0.784 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)NC2CCC2)C1 ZINC000125322276 386247851 /nfs/dbraw/zinc/24/78/51/386247851.db2.gz OAJWDYQOXLWBTK-JTQLQIEISA-N 0 3 211.309 0.884 20 0 BCADHN O=C(NC[C@H]1CC12CC2)[C@@H]1CN2CCN1CCC2 ZINC000416262856 386249828 /nfs/dbraw/zinc/24/98/28/386249828.db2.gz XDFGXPOWEMWFOJ-NEPJUHHUSA-N 0 3 249.358 0.293 20 0 BCADHN CC(C)[C@](C)(NCCn1cccn1)C(N)=O ZINC000289034473 386253374 /nfs/dbraw/zinc/25/33/74/386253374.db2.gz BBPVNRIKMVJDTO-NSHDSACASA-N 0 3 224.308 0.373 20 0 BCADHN CN(C)CCNC(=O)c1cn(C(C)(C)C)nn1 ZINC000190331552 386253659 /nfs/dbraw/zinc/25/36/59/386253659.db2.gz MDANEDMSOIXIMM-UHFFFAOYSA-N 0 3 239.323 0.325 20 0 BCADHN Cc1ocnc1CNC(=O)[C@@H]1CCCCN1 ZINC000125411588 386253705 /nfs/dbraw/zinc/25/37/05/386253705.db2.gz CQVFWFLUFJQYSK-VIFPVBQESA-N 0 3 223.276 0.741 20 0 BCADHN CCOCCNC(=O)/C=C/CN(C)C ZINC000264612777 386255069 /nfs/dbraw/zinc/25/50/69/386255069.db2.gz IMUPIZSNGYYRGD-AATRIKPKSA-N 0 3 200.282 0.257 20 0 BCADHN Cc1c(CN2CC[C@H](C)[C@@H]2CO)cnn1C ZINC000275962022 386255166 /nfs/dbraw/zinc/25/51/66/386255166.db2.gz BMHKKLGFLDAAGE-CABZTGNLSA-N 0 3 223.320 0.931 20 0 BCADHN Cc1cnn(C)c1CN1CCC[C@@H](C(N)=O)C1 ZINC000289071179 386255969 /nfs/dbraw/zinc/25/59/69/386255969.db2.gz JRKAVIMQGIGXKV-SNVBAGLBSA-N 0 3 236.319 0.426 20 0 BCADHN C[C@H](NC(=O)[C@H](N)C(C)(C)C)c1ncon1 ZINC000125485759 386258359 /nfs/dbraw/zinc/25/83/59/386258359.db2.gz CAECOZUZODYBFN-BQBZGAKWSA-N 0 3 226.280 0.620 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CCCCN1)c1ncon1 ZINC000125488239 386258519 /nfs/dbraw/zinc/25/85/19/386258519.db2.gz RVPVHTOLCRIGID-YUMQZZPRSA-N 0 3 224.264 0.389 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1ccncn1 ZINC000275205229 386191578 /nfs/dbraw/zinc/19/15/78/386191578.db2.gz BOJOEQMSVPLRGC-SNVBAGLBSA-N 0 3 234.303 0.643 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1c2c(nn1C)CCC2 ZINC000296655619 386191819 /nfs/dbraw/zinc/19/18/19/386191819.db2.gz DQHKHYSMBXEGBO-MRVPVSSYSA-N 0 3 248.330 0.988 20 0 BCADHN CC[C@@H](C(=O)NC[C@@]1(C)CCOC1)N(C)C ZINC000338970926 386192242 /nfs/dbraw/zinc/19/22/42/386192242.db2.gz CITZZMZRTNXPBW-CMPLNLGQSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1cnc(C(=O)N2CCC[C@H]2CN(C)C)cn1 ZINC000263923043 386192922 /nfs/dbraw/zinc/19/29/22/386192922.db2.gz PYKGBCUAEZFAPK-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1ccon1 ZINC000263925519 386193494 /nfs/dbraw/zinc/19/34/94/386193494.db2.gz RDQQZQFIRTUDDF-VIFPVBQESA-N 0 3 223.276 0.841 20 0 BCADHN C[C@@H](NC[C@H]1CN(C)CCO1)c1cn[nH]c1 ZINC000275241525 386196483 /nfs/dbraw/zinc/19/64/83/386196483.db2.gz XEKCNBRKYWTXJZ-KOLCDFICSA-N 0 3 224.308 0.391 20 0 BCADHN CN(C)CCSc1nnc(CO)n1C1CC1 ZINC000339116598 386259174 /nfs/dbraw/zinc/25/91/74/386259174.db2.gz SAKTZHUFEPOJQX-UHFFFAOYSA-N 0 3 242.348 0.759 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)c1ncon1 ZINC000125486612 386259219 /nfs/dbraw/zinc/25/92/19/386259219.db2.gz QBBVACLGYDHFIX-CSMHCCOUSA-N 0 3 226.280 0.620 20 0 BCADHN Cc1ccc(C)c(CN2C[C@H](O)[C@@H](O)C2)c1 ZINC000235877088 386198418 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248.330 0.441 20 0 BCADHN O=C(Nc1nnc2ccccn21)[C@@]1(F)CCNC1 ZINC000366332595 386358093 /nfs/dbraw/zinc/35/80/93/386358093.db2.gz JLSUWOZTONBZFX-LLVKDONJSA-N 0 3 249.249 0.369 20 0 BCADHN CCN1CCCN(CC[C@H]2CCOC2)CC1=O ZINC000347317678 386358232 /nfs/dbraw/zinc/35/82/32/386358232.db2.gz UHTHMFHDXPRBSN-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN c1nc2c([nH]1)CN(C[C@@H]1CCOC1)CC2 ZINC000647933445 386361681 /nfs/dbraw/zinc/36/16/81/386361681.db2.gz OCXPTOQDJOXODI-VIFPVBQESA-N 0 3 207.277 0.804 20 0 BCADHN CN(C(=O)C=Cc1c[nH]cn1)C1CCN(C)CC1 ZINC000276672029 386361788 /nfs/dbraw/zinc/36/17/88/386361788.db2.gz NWLMZPOUMYVEGJ-ONEGZZNKSA-N 0 3 248.330 0.976 20 0 BCADHN CNCC(=O)N1CCN(C)c2cc(F)ccc21 ZINC000237191550 386363799 /nfs/dbraw/zinc/36/37/99/386363799.db2.gz QFWFGCHDNQNLAM-UHFFFAOYSA-N 0 3 237.278 0.828 20 0 BCADHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1)N(C)C ZINC000298610817 386363920 /nfs/dbraw/zinc/36/39/20/386363920.db2.gz VQBGVVNUWICRHF-JTQLQIEISA-N 0 3 249.314 0.691 20 0 BCADHN CO[C@@H]1CN(CC2(O)CCC2)C[C@H]1OC ZINC000336694547 386364360 /nfs/dbraw/zinc/36/43/60/386364360.db2.gz FFQDOOKFCFWIEJ-NXEZZACHSA-N 0 3 215.293 0.247 20 0 BCADHN CN(C)C(=O)[C@@H]1CCCN1CCC(C)(C)O ZINC000347369322 386368816 /nfs/dbraw/zinc/36/88/16/386368816.db2.gz VWLDTQQTXZLINF-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@H](CO)N1CCN(C[C@H]2CCOC2)CC1 ZINC000336694340 386372250 /nfs/dbraw/zinc/37/22/50/386372250.db2.gz JBTKEOKUGHZBHK-CHWSQXEVSA-N 0 3 242.363 0.411 20 0 BCADHN NS(=O)(=O)CCCN1CCCC2(CCC2)C1 ZINC000366340244 386374036 /nfs/dbraw/zinc/37/40/36/386374036.db2.gz GBQIBYBTPRQVJC-UHFFFAOYSA-N 0 3 246.376 0.931 20 0 BCADHN OC[C@@]1(F)CCCN(CC2(O)CCOCC2)C1 ZINC000347377368 386374218 /nfs/dbraw/zinc/37/42/18/386374218.db2.gz QMSAOGSYGOEKKX-LLVKDONJSA-N 0 3 247.310 0.324 20 0 BCADHN O=C1CO[C@@H]2CCN([C@H]3C=CCCC3)C[C@H]2N1 ZINC000366808832 386374651 /nfs/dbraw/zinc/37/46/51/386374651.db2.gz OFUBJGLLLMQVMG-QJPTWQEYSA-N 0 3 236.315 0.684 20 0 BCADHN C[C@H]1C[C@H](C)N1CCN1C(=O)CNC1=O ZINC000334495701 386376431 /nfs/dbraw/zinc/37/64/31/386376431.db2.gz OMDRPYNQDQPMET-YUMQZZPRSA-N 0 3 211.265 0.021 20 0 BCADHN CN(CCC(N)=O)Cc1cccc2nccn21 ZINC000289966436 386377222 /nfs/dbraw/zinc/37/72/22/386377222.db2.gz ZHGIMQMLYRAUNB-UHFFFAOYSA-N 0 3 232.287 0.642 20 0 BCADHN CO[C@@H]1CN(CCOC(C)C)C[C@H]1OC ZINC000336696260 386377245 /nfs/dbraw/zinc/37/72/45/386377245.db2.gz JUQPQVFOZZGOQV-GHMZBOCLSA-N 0 3 217.309 0.757 20 0 BCADHN C[C@@H](NC[C@]1(O)CCN(C)C1)c1ccco1 ZINC000336743459 386377524 /nfs/dbraw/zinc/37/75/24/386377524.db2.gz PEQCJUSIHGFFPP-ZYHUDNBSSA-N 0 3 224.304 0.997 20 0 BCADHN CN(CC1CCS(=O)(=O)CC1)[C@@H]1CCOC1 ZINC000336697166 386377655 /nfs/dbraw/zinc/37/76/55/386377655.db2.gz HZZPFEINDYQRQO-LLVKDONJSA-N 0 3 247.360 0.532 20 0 BCADHN C[C@@H](NC(=O)[C@H]1CCCCN1)c1cnn(C)c1 ZINC000237430412 386378552 /nfs/dbraw/zinc/37/85/52/386378552.db2.gz BQVLDQPPJMYYHN-MWLCHTKSSA-N 0 3 236.319 0.739 20 0 BCADHN C[C@H](O)CCCN1CCSC[C@H]1CCO ZINC000336696783 386378861 /nfs/dbraw/zinc/37/88/61/386378861.db2.gz OHUXFUVFFXOKRD-WDEREUQCSA-N 0 3 233.377 0.947 20 0 BCADHN CN(CCOCCO)[C@H](CO)c1ccccc1 ZINC000265877441 386380891 /nfs/dbraw/zinc/38/08/91/386380891.db2.gz OWTMBJWQQJCICX-CYBMUJFWSA-N 0 3 239.315 0.661 20 0 BCADHN CN(CCN1CCCC1)[C@@H]1CCCCNC1=O ZINC000336697338 386380966 /nfs/dbraw/zinc/38/09/66/386380966.db2.gz KHHVVRPIBHYZQF-GFCCVEGCSA-N 0 3 239.363 0.683 20 0 BCADHN Cc1noc(CCCN(CCO)C2CC2)n1 ZINC000336698386 386381680 /nfs/dbraw/zinc/38/16/80/386381680.db2.gz IOUMUOCCMFEFNT-UHFFFAOYSA-N 0 3 225.292 0.767 20 0 BCADHN Cn1cc(C(=O)NC[C@H]2CCN(C3CC3)C2)nn1 ZINC000289997011 386382143 /nfs/dbraw/zinc/38/21/43/386382143.db2.gz UMPQQNJFFXQLJQ-SECBINFHSA-N 0 3 249.318 0.029 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H]1CCCOCC1 ZINC000181649164 386382268 /nfs/dbraw/zinc/38/22/68/386382268.db2.gz OGWUDTMXBJVEKD-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN Cc1nonc1C(=O)N(C)C1CCN(C)CC1 ZINC000265869816 386382217 /nfs/dbraw/zinc/38/22/17/386382217.db2.gz GLNVXYXHPADEIK-UHFFFAOYSA-N 0 3 238.291 0.544 20 0 BCADHN CC(C)(O)CN1CCN(CC2(C)COC2)CC1 ZINC000336698495 386382269 /nfs/dbraw/zinc/38/22/69/386382269.db2.gz KLRFWPPOFIPKJV-UHFFFAOYSA-N 0 3 242.363 0.411 20 0 BCADHN CN(C)CCNC(=O)CCn1cc(Cl)cn1 ZINC000298775753 386384707 /nfs/dbraw/zinc/38/47/07/386384707.db2.gz KWNSJBVAJGAWFF-UHFFFAOYSA-N 0 3 244.726 0.604 20 0 BCADHN CO[C@@H](C)[C@H](C)NCC1(S(C)(=O)=O)CCC1 ZINC000336775431 386384749 /nfs/dbraw/zinc/38/47/49/386384749.db2.gz YZYPOEOPVZSWDO-UWVGGRQHSA-N 0 3 249.376 0.967 20 0 BCADHN Cn1nccc1CN1CCCC[C@@H]1CC(N)=O ZINC000092588962 386384979 /nfs/dbraw/zinc/38/49/79/386384979.db2.gz SLEWRYHGLNYGGR-SNVBAGLBSA-N 0 3 236.319 0.650 20 0 BCADHN CCOCCN1CCC[C@]2(CNC(=O)C2)C1 ZINC000336677251 386327271 /nfs/dbraw/zinc/32/72/71/386327271.db2.gz NLHQYRMTTVKGDQ-LBPRGKRZSA-N 0 3 226.320 0.625 20 0 BCADHN CCC[C@H](N)C(=O)Nc1cccn(C)c1=O ZINC000236942450 386328703 /nfs/dbraw/zinc/32/87/03/386328703.db2.gz DMTHLZZYTRJHDA-QMMMGPOBSA-N 0 3 223.276 0.451 20 0 BCADHN CC(C)CS(=O)(=O)NC(C)(C)CN(C)C ZINC000416510862 386331507 /nfs/dbraw/zinc/33/15/07/386331507.db2.gz VSVMMCUEQPEIPB-UHFFFAOYSA-N 0 3 236.381 0.902 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN1CC[C@H]1COC ZINC000339279735 386333428 /nfs/dbraw/zinc/33/34/28/386333428.db2.gz FOMRPJJYGMGPIH-SDDRHHMPSA-N 0 3 247.335 0.120 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@](C)(O)C1 ZINC000347334907 386333874 /nfs/dbraw/zinc/33/38/74/386333874.db2.gz BDQNUERNKLOQFR-GFCCVEGCSA-N 0 3 228.336 0.702 20 0 BCADHN CCN(CC)C(=O)CCCNC(=O)C(C)(C)N ZINC000237014255 386335090 /nfs/dbraw/zinc/33/50/90/386335090.db2.gz NNIKDBMYGZXZIY-UHFFFAOYSA-N 0 3 243.351 0.489 20 0 BCADHN Cc1n[nH]c(C)c1CC(=O)NC[C@H](C)N(C)C ZINC000298385426 386335209 /nfs/dbraw/zinc/33/52/09/386335209.db2.gz CZCCZCVYUZGTJW-QMMMGPOBSA-N 0 3 238.335 0.635 20 0 BCADHN CCN(CCNC(=O)c1nonc1C)C1CC1 ZINC000265406219 386336242 /nfs/dbraw/zinc/33/62/42/386336242.db2.gz KMIFRNRVVVCIIP-UHFFFAOYSA-N 0 3 238.291 0.592 20 0 BCADHN Cc1nocc1CNC[C@@H](O)C1CCOCC1 ZINC000339272578 386336453 /nfs/dbraw/zinc/33/64/53/386336453.db2.gz WIWQOANQOQZHHX-GFCCVEGCSA-N 0 3 240.303 0.860 20 0 BCADHN C[C@H](CC(N)=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000339272401 386336689 /nfs/dbraw/zinc/33/66/89/386336689.db2.gz UDISIWOTZUXYCE-ZJUUUORDSA-N 0 3 241.335 0.051 20 0 BCADHN CCN(CCNC(=O)[C@H](C)CC(N)=O)C1CC1 ZINC000339277395 386338632 /nfs/dbraw/zinc/33/86/32/386338632.db2.gz ZQLUYUZBGQRUKF-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@H]1NCCN(C(=O)/C=C/c2cnccn2)[C@H]1C ZINC000277445406 386436683 /nfs/dbraw/zinc/43/66/83/386436683.db2.gz FNMXDDHAIMPSOU-YHROSDCASA-N 0 3 246.314 0.699 20 0 BCADHN NC[C@@H](NC(=O)C(=O)Nc1ccccc1)C1CC1 ZINC000238048891 386437085 /nfs/dbraw/zinc/43/70/85/386437085.db2.gz XXYPYJLIYXJWQM-LLVKDONJSA-N 0 3 247.298 0.479 20 0 BCADHN CCOCCCNC(=O)[C@@H](N)C1CCC1 ZINC000399176523 386438262 /nfs/dbraw/zinc/43/82/62/386438262.db2.gz HXEXAHQKSJTFNS-JTQLQIEISA-N 0 3 214.309 0.657 20 0 BCADHN CN(CCN1CCNC1=O)[C@@H](CO)C(C)(C)C ZINC000336718800 386439795 /nfs/dbraw/zinc/43/97/95/386439795.db2.gz RDRMJURCVGIJPC-JTQLQIEISA-N 0 3 243.351 0.350 20 0 BCADHN CC[C@@H](C(=O)NCCc1cn[nH]c1)N(C)C ZINC000290465571 386440331 /nfs/dbraw/zinc/44/03/31/386440331.db2.gz FVZZHFPBVCNNLJ-JTQLQIEISA-N 0 3 224.308 0.409 20 0 BCADHN CN1CCC[C@H](CNC(=O)COCC2CC2)C1 ZINC000519423974 386440688 /nfs/dbraw/zinc/44/06/88/386440688.db2.gz LYDZWZKVUISRNE-GFCCVEGCSA-N 0 3 240.347 0.871 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1C[C@@H]1COCCO1 ZINC000336715852 386442618 /nfs/dbraw/zinc/44/26/18/386442618.db2.gz VADRJDFBHHTMRG-CHWSQXEVSA-N 0 3 242.363 0.674 20 0 BCADHN COCCN(CCOC)C(=O)[C@@H](N)C1CCC1 ZINC000399189883 386443466 /nfs/dbraw/zinc/44/34/66/386443466.db2.gz PJFIZBCZAQHQGP-NSHDSACASA-N 0 3 244.335 0.235 20 0 BCADHN CCOC[C@@H](O)CN1CCSC[C@H]1CCO ZINC000347538819 386445143 /nfs/dbraw/zinc/44/51/43/386445143.db2.gz SUDRIIWHZXTPLS-MNOVXSKESA-N 0 3 249.376 0.184 20 0 BCADHN CN(C)C1(CN(C)[C@H]2CCCNC2=O)CCC1 ZINC000336722534 386446226 /nfs/dbraw/zinc/44/62/26/386446226.db2.gz BZSKUGNEZFLSEE-NSHDSACASA-N 0 3 239.363 0.681 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@H]([C@H](C)O)C1 ZINC000290499311 386446227 /nfs/dbraw/zinc/44/62/27/386446227.db2.gz WLVGRBZYHMUYIY-QWRGUYRKSA-N 0 3 223.320 0.931 20 0 BCADHN CCN(CCN1C(=O)CCC1=O)[C@H]1CCOC1 ZINC000336722085 386447093 /nfs/dbraw/zinc/44/70/93/386447093.db2.gz SSQRWBWUPOJGNF-JTQLQIEISA-N 0 3 240.303 0.246 20 0 BCADHN COc1ncncc1CN1CC[C@H]2CN(C)C[C@H]21 ZINC000648038062 386447313 /nfs/dbraw/zinc/44/73/13/386447313.db2.gz LTZLFGQQRLHULV-CMPLNLGQSA-N 0 3 248.330 0.621 20 0 BCADHN COCCNCCNC(=O)NCC1CCCC1 ZINC000417119544 386449625 /nfs/dbraw/zinc/44/96/25/386449625.db2.gz TUEWXFPSQZDURJ-UHFFFAOYSA-N 0 3 243.351 0.712 20 0 BCADHN Cc1cnc(CN2CCNC[C@@](C)(F)C2)cn1 ZINC000414768729 386450027 /nfs/dbraw/zinc/45/00/27/386450027.db2.gz IUVRFPFXHAWASF-GFCCVEGCSA-N 0 3 238.310 0.918 20 0 BCADHN COC[C@H]1CCN(CCN2CCCC2=O)C1 ZINC000336704135 386392592 /nfs/dbraw/zinc/39/25/92/386392592.db2.gz PGCRUTZCFOQUIU-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN O=C(CN1CC[C@H](CCCO)C1)NCC1CC1 ZINC000452128073 386394917 /nfs/dbraw/zinc/39/49/17/386394917.db2.gz LTRHCDYQQZOGGR-LBPRGKRZSA-N 0 3 240.347 0.607 20 0 BCADHN CCOCCCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000416805633 386397379 /nfs/dbraw/zinc/39/73/79/386397379.db2.gz CVPGWXATZKKHHV-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN CN(C)CCNC(=O)/C=C/c1cnccn1 ZINC000298922717 386397775 /nfs/dbraw/zinc/39/77/75/386397775.db2.gz CFBSWNOQPZFUKT-ONEGZZNKSA-N 0 3 220.276 0.168 20 0 BCADHN COC[C@@H]1CN(C[C@H]2CCCOC2)CCO1 ZINC000336706241 386398043 /nfs/dbraw/zinc/39/80/43/386398043.db2.gz QYOKZTCSFZYSPG-NEPJUHHUSA-N 0 3 229.320 0.760 20 0 BCADHN CC[C@H](CCO)NC(=O)CC1CCN(C)CC1 ZINC000347421312 386398115 /nfs/dbraw/zinc/39/81/15/386398115.db2.gz YIIICSLBECMWKK-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1nc(N(C)CCN(C)C)cc2nncn21 ZINC000298933599 386399179 /nfs/dbraw/zinc/39/91/79/386399179.db2.gz PGVKDRWUHHAAQL-UHFFFAOYSA-N 0 3 234.307 0.431 20 0 BCADHN COC[C@@H]1CN(C[C@@H]2CCCOC2)CCO1 ZINC000336706243 386399277 /nfs/dbraw/zinc/39/92/77/386399277.db2.gz QYOKZTCSFZYSPG-RYUDHWBXSA-N 0 3 229.320 0.760 20 0 BCADHN COC[C@H]1CCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000336705667 386399655 /nfs/dbraw/zinc/39/96/55/386399655.db2.gz NTWGVGBDRSPWQR-CMPLNLGQSA-N 0 3 238.331 0.718 20 0 BCADHN O=C1CCCN1CCN(CCO)CC1CC1 ZINC000336701898 386405347 /nfs/dbraw/zinc/40/53/47/386405347.db2.gz MENKYPXGLFUYRD-UHFFFAOYSA-N 0 3 226.320 0.313 20 0 BCADHN CN(CCN1CCCC1=O)C[C@@H]1CCCO1 ZINC000336702743 386406252 /nfs/dbraw/zinc/40/62/52/386406252.db2.gz NZFGRMZGRGBIRQ-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN [NH3+]CCN(CCO)Cc1cc([O-])cc(F)c1 ZINC000414908558 386407257 /nfs/dbraw/zinc/40/72/57/386407257.db2.gz FMDBODLFWPSQNL-UHFFFAOYSA-N 0 3 228.267 0.284 20 0 BCADHN CC[C@@H](C)N(CCO)CC(=O)N(C)CC1CC1 ZINC000347458853 386411670 /nfs/dbraw/zinc/41/16/70/386411670.db2.gz RNWRKAKYKOBVBD-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CN(C)C[C@@H]1CN(CC2(C)COC2)CCO1 ZINC000336708424 386413532 /nfs/dbraw/zinc/41/35/32/386413532.db2.gz UIODLHLXVUIRMC-LLVKDONJSA-N 0 3 228.336 0.285 20 0 BCADHN COCCn1cc(CNC[C@H](O)C2CC2)cn1 ZINC000266219746 386414250 /nfs/dbraw/zinc/41/42/50/386414250.db2.gz RBEKBMRSUQSNAH-LBPRGKRZSA-N 0 3 239.319 0.390 20 0 BCADHN COC[C@@H](C)CN1CCCN(C(N)=O)CC1 ZINC000527354850 386415028 /nfs/dbraw/zinc/41/50/28/386415028.db2.gz WXQXDXRXTGNAFF-JTQLQIEISA-N 0 3 229.324 0.355 20 0 BCADHN C[C@@H](CNC(=O)CCc1ccncn1)N(C)C ZINC000277190790 386416181 /nfs/dbraw/zinc/41/61/81/386416181.db2.gz BJEMOVJXEKNZAL-JTQLQIEISA-N 0 3 236.319 0.476 20 0 BCADHN CCN1C[C@H](NCC2=CCCOC2)CC1=O ZINC000391569477 386417526 /nfs/dbraw/zinc/41/75/26/386417526.db2.gz SUZUAGMQMUODQL-LLVKDONJSA-N 0 3 224.304 0.544 20 0 BCADHN C[C@H](CNC(=O)c1cnsn1)N(C)C ZINC000299129916 386418557 /nfs/dbraw/zinc/41/85/57/386418557.db2.gz YZDDDLURYUNHKT-ZCFIWIBFSA-N 0 3 214.294 0.218 20 0 BCADHN C[C@@H](CO)[C@H](C)NCC(=O)N1CCCCC1 ZINC000164904776 386418993 /nfs/dbraw/zinc/41/89/93/386418993.db2.gz MUOSONPXUYVCDN-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN COC[C@@H](C)N[C@H](CO)CC(F)(F)F ZINC000308494170 386420586 /nfs/dbraw/zinc/42/05/86/386420586.db2.gz CQPPUEJZVKQLIU-RQJHMYQMSA-N 0 3 215.215 0.924 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@H]1CCC[C@H]1O ZINC000266288374 386421503 /nfs/dbraw/zinc/42/15/03/386421503.db2.gz BOABJOFBDXXMQU-OZSGMGSPSA-N 0 3 226.320 0.381 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)Nc1ccncc1 ZINC000237910947 386421781 /nfs/dbraw/zinc/42/17/81/386421781.db2.gz WTIOFWJGNLYGQP-NSHDSACASA-N 0 3 235.287 0.789 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)[C@@H](N)C1CCC1 ZINC000399138800 386421992 /nfs/dbraw/zinc/42/19/92/386421992.db2.gz SWJHJNCPJZRQRX-SCZZXKLOSA-N 0 3 242.319 0.381 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)[C@H](N)C1CCC1 ZINC000399139385 386423139 /nfs/dbraw/zinc/42/31/39/386423139.db2.gz UFSNGBUGTLNZEK-GHMZBOCLSA-N 0 3 228.336 0.637 20 0 BCADHN CN(C)C[C@@H]1CN(C[C@H]2CCOC2)CCO1 ZINC000336709329 386423506 /nfs/dbraw/zinc/42/35/06/386423506.db2.gz WSIJLQJBEUHXKK-VXGBXAGGSA-N 0 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386492773 /nfs/dbraw/zinc/49/27/73/386492773.db2.gz BEIKEFLENFQTGU-NXEZZACHSA-N 0 3 213.302 0.594 20 0 BCADHN NC[C@H](C(=O)N1CCCOCC1)c1ccccc1 ZINC000061918830 386492823 /nfs/dbraw/zinc/49/28/23/386492823.db2.gz ACLQEDOJBLIIRU-ZDUSSCGKSA-N 0 3 248.326 0.978 20 0 BCADHN CN(C)CCN(C)C(=O)c1nccn2ccnc12 ZINC000267125302 386497786 /nfs/dbraw/zinc/49/77/86/386497786.db2.gz UZLRMWFXJGULLL-UHFFFAOYSA-N 0 3 247.302 0.363 20 0 BCADHN Cc1cnn(C)c1CNC[C@@H]1CC[C@@H](CO)O1 ZINC000353715228 386499955 /nfs/dbraw/zinc/49/99/55/386499955.db2.gz XOXYWHKOPOUCIU-QWRGUYRKSA-N 0 3 239.319 0.358 20 0 BCADHN C[C@H](CNc1nc2c(cnn2C)c(N)n1)N(C)C ZINC000278211442 386501657 /nfs/dbraw/zinc/50/16/57/386501657.db2.gz FPPVNQBLUBNUOV-SSDOTTSWSA-N 0 3 249.322 0.308 20 0 BCADHN CCN(CC1CCS(=O)(=O)CC1)[C@@H](C)CO ZINC000339635354 386504040 /nfs/dbraw/zinc/50/40/40/386504040.db2.gz WDJQAKIHDZRLNP-JTQLQIEISA-N 0 3 249.376 0.514 20 0 BCADHN COC[C@H](CNCc1c(C)nn(C)c1C)OC ZINC000227707206 386504566 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243.351 0.805 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCO[C@@H](C)C1 ZINC000637898811 386540208 /nfs/dbraw/zinc/54/02/08/386540208.db2.gz CAVTUSNIGXHOCE-QWRGUYRKSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@H](N[C@@H]1CN(C)C[C@H]1C)c1ncn(C)n1 ZINC000336755618 386543888 /nfs/dbraw/zinc/54/38/88/386543888.db2.gz XSJBMBGXYZCEEJ-KXUCPTDWSA-N 0 3 223.324 0.416 20 0 BCADHN C[C@H](N)C(=O)NC[C@H]1CC12CCSCC2 ZINC000335462693 386546146 /nfs/dbraw/zinc/54/61/46/386546146.db2.gz SYZGEAGICZOQLI-DTWKUNHWSA-N 0 3 228.361 0.983 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCCOCC1 ZINC000061920479 386555160 /nfs/dbraw/zinc/55/51/60/386555160.db2.gz RURIIXUXPWIOIO-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN CSCC[C@H](N)C(=O)N1CCCOCC1 ZINC000061920473 386555382 /nfs/dbraw/zinc/55/53/82/386555382.db2.gz RXXJOHDRXGKJNJ-VIFPVBQESA-N 0 3 232.349 0.316 20 0 BCADHN CC[C@H](C)NC(=O)CN1CCNC[C@H]1C(F)F ZINC000519775053 386555758 /nfs/dbraw/zinc/55/57/58/386555758.db2.gz NNWUFJQPAJDMDW-IUCAKERBSA-N 0 3 249.305 0.440 20 0 BCADHN 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ZINC000519865449 386572613 /nfs/dbraw/zinc/57/26/13/386572613.db2.gz QLFCCLVUNLZEQD-NEPJUHHUSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N1CC[C@H](CO)C1 ZINC000051887788 386573815 /nfs/dbraw/zinc/57/38/15/386573815.db2.gz HZNDHMGCNSIZJT-UWVGGRQHSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)[C@@H](C)CN1 ZINC000237387900 386574146 /nfs/dbraw/zinc/57/41/46/386574146.db2.gz LSHHCXPPHXCEEG-BDAKNGLRSA-N 0 3 248.330 0.721 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)/C=C/CN(C)C ZINC000268123547 386622582 /nfs/dbraw/zinc/62/25/82/386622582.db2.gz RJIWXJKDUKRICC-BRAIEQGRSA-N 0 3 214.309 0.334 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1c[nH]cn1 ZINC000268136390 386623486 /nfs/dbraw/zinc/62/34/86/386623486.db2.gz MZSBBPAFKOHGEQ-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN CN(C)CCN(C(=O)CC(F)(F)CN)C1CC1 ZINC000520248153 386625699 /nfs/dbraw/zinc/62/56/99/386625699.db2.gz QVOHUKCFXXVFBW-UHFFFAOYSA-N 0 3 249.305 0.523 20 0 BCADHN C[C@@H](O)CCN1CC[C@@H](n2cncn2)C1 ZINC000644929747 386626501 /nfs/dbraw/zinc/62/65/01/386626501.db2.gz MIPYCVZEFQPVIB-NXEZZACHSA-N 0 3 210.281 0.296 20 0 BCADHN Cc1c(C(=O)NCCN(C)C)nnn1C(C)C ZINC000292177019 386627701 /nfs/dbraw/zinc/62/77/01/386627701.db2.gz INAMVDMCSULJLI-UHFFFAOYSA-N 0 3 239.323 0.459 20 0 BCADHN CSC[C@H](O)C[N@@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000425553417 386628955 /nfs/dbraw/zinc/62/89/55/386628955.db2.gz UKNJUDGZAVYOMC-DTWKUNHWSA-N 0 3 242.348 0.318 20 0 BCADHN CSC[C@H](O)C[N@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000425553417 386628959 /nfs/dbraw/zinc/62/89/59/386628959.db2.gz UKNJUDGZAVYOMC-DTWKUNHWSA-N 0 3 242.348 0.318 20 0 BCADHN O=C(CN1CCCC[C@H]1CCO)NC1CC1 ZINC000049801190 386655806 /nfs/dbraw/zinc/65/58/06/386655806.db2.gz VLPUZFNGIYMFPU-NSHDSACASA-N 0 3 226.320 0.502 20 0 BCADHN C[C@H](CO)CN1CCC[C@H](n2ccnn2)C1 ZINC000644947859 386633616 /nfs/dbraw/zinc/63/36/16/386633616.db2.gz YZONGQDXEOIKCM-QWRGUYRKSA-N 0 3 224.308 0.543 20 0 BCADHN CC(C)[C@H](O)CN(CC(N)=O)C1CCCC1 ZINC000644992536 386655892 /nfs/dbraw/zinc/65/58/92/386655892.db2.gz UADIVGSLZWDCFX-LLVKDONJSA-N 0 3 228.336 0.733 20 0 BCADHN C[C@H](O)CN[C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000292200762 386634522 /nfs/dbraw/zinc/63/45/22/386634522.db2.gz NTFDEALGVJWVNX-NHCYSSNCSA-N 0 3 236.315 0.614 20 0 BCADHN C[C@H](c1ccccc1)[C@@H](NC[C@H](C)O)C(N)=O ZINC000292200755 386634534 /nfs/dbraw/zinc/63/45/34/386634534.db2.gz NTFDEALGVJWVNX-HOSYDEDBSA-N 0 3 236.315 0.614 20 0 BCADHN C[C@H]1OCC[C@H]1N[C@H]1CCCS(=O)(=O)C1 ZINC000329212442 386635038 /nfs/dbraw/zinc/63/50/38/386635038.db2.gz ZXLMQKPNDIKKTN-KXUCPTDWSA-N 0 3 233.333 0.331 20 0 BCADHN CCN(CCCO)CCN1CCOC[C@H]1C ZINC000337178878 386636781 /nfs/dbraw/zinc/63/67/81/386636781.db2.gz LBNGFZQFOVMZCK-GFCCVEGCSA-N 0 3 230.352 0.411 20 0 BCADHN CC(C)CCS(=O)(=O)C(C)C(=O)N(C)C ZINC000097325409 386639491 /nfs/dbraw/zinc/63/94/91/386639491.db2.gz RNWOXTTUWYOBMP-SECBINFHSA-N 0 3 235.349 0.924 20 0 BCADHN CN(CCOCCO)CCOCC(F)(F)F ZINC000301013100 386640664 /nfs/dbraw/zinc/64/06/64/386640664.db2.gz GXAMHKMKPLGRJC-UHFFFAOYSA-N 0 3 245.241 0.506 20 0 BCADHN Cn1nncc1CNCC1=CCN(C)CC1 ZINC000336758673 386646964 /nfs/dbraw/zinc/64/69/64/386646964.db2.gz ILZQAJRRVZINPG-UHFFFAOYSA-N 0 3 221.308 0.167 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H](C)c1nnc[n-]1)[NH+](C)C ZINC000268441628 386651668 /nfs/dbraw/zinc/65/16/68/386651668.db2.gz RVUVOTVKROJGDU-DTWKUNHWSA-N 0 3 239.323 0.568 20 0 BCADHN Cc1cc(NC(=O)C2(N)CC2)cn(C)c1=O ZINC000353737208 386653059 /nfs/dbraw/zinc/65/30/59/386653059.db2.gz HYEREBQDVDJCCF-UHFFFAOYSA-N 0 3 221.260 0.124 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)C(C)S(C)(=O)=O ZINC000340673016 386653293 /nfs/dbraw/zinc/65/32/93/386653293.db2.gz XSYUTGVCLALKTJ-RKDXNWHRSA-N 0 3 235.349 0.924 20 0 BCADHN Cn1cncc1CNCC1(C(N)=O)CCCC1 ZINC000267927895 386601654 /nfs/dbraw/zinc/60/16/54/386601654.db2.gz LDBMWPPXSZDLBC-UHFFFAOYSA-N 0 3 236.319 0.555 20 0 BCADHN CN(CCN1CCNC1=O)C[C@H]1CCC[C@H]1O ZINC000328637066 386604673 /nfs/dbraw/zinc/60/46/73/386604673.db2.gz CPWPMARZXCWBTG-GHMZBOCLSA-N 0 3 241.335 0.309 20 0 BCADHN COC[C@@H](CCO)NCC1=CCCOC1 ZINC000336757806 386609376 /nfs/dbraw/zinc/60/93/76/386609376.db2.gz JMGGDFUCOTZTHG-LLVKDONJSA-N 0 3 215.293 0.320 20 0 BCADHN CN(C[C@H](O)CN1CCNC(=O)CC1)C1CC1 ZINC000328685307 386610798 /nfs/dbraw/zinc/61/07/98/386610798.db2.gz XGQNFRCGEHMOOX-NSHDSACASA-N 0 3 241.335 0.104 20 0 BCADHN NC(=O)NC(=O)CN1CC[C@@H](C2CCCC2)C1 ZINC000335493872 386613341 /nfs/dbraw/zinc/61/33/41/386613341.db2.gz ZBHPJHXQSUBQET-SNVBAGLBSA-N 0 3 239.319 0.693 20 0 BCADHN C[C@H](O)CCN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000644921309 386613495 /nfs/dbraw/zinc/61/34/95/386613495.db2.gz CYHRSTORSDMTQU-XQQFMLRXSA-N 0 3 242.363 0.288 20 0 BCADHN C[C@@H](O)CCN1CCN(C(C)(C)CO)CC1 ZINC000644926863 386618008 /nfs/dbraw/zinc/61/80/08/386618008.db2.gz YFTUTUKKPIGZKF-LLVKDONJSA-N 0 3 230.352 0.146 20 0 BCADHN CN(C)CCNC(=O)c1ccnc(C2CC2)n1 ZINC000331455409 386618625 /nfs/dbraw/zinc/61/86/25/386618625.db2.gz JWFGXWZHPJHTMS-UHFFFAOYSA-N 0 3 234.303 0.645 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H](C)C[C@H]1CCCO1 ZINC000353162766 386619018 /nfs/dbraw/zinc/61/90/18/386619018.db2.gz AHWIIRBTZXSBMQ-IVZWLZJFSA-N 0 3 230.308 0.034 20 0 BCADHN C[C@@H](CNC(=O)CCc1cncnc1)N(C)C ZINC000292368294 386659633 /nfs/dbraw/zinc/65/96/33/386659633.db2.gz VKISQYNBBJMHBO-JTQLQIEISA-N 0 3 236.319 0.476 20 0 BCADHN CS[C@H]1CC[C@@H]1N[C@@H](C)C(=O)N(C)C ZINC000425330608 386662318 /nfs/dbraw/zinc/66/23/18/386662318.db2.gz BBZSFGZASYZVLT-CIUDSAMLSA-N 0 3 216.350 0.947 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@@H](C)C(=O)N(C)C ZINC000425330610 386663069 /nfs/dbraw/zinc/66/30/69/386663069.db2.gz BBZSFGZASYZVLT-XHNCKOQMSA-N 0 3 216.350 0.947 20 0 BCADHN COC(=O)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000120224678 386663821 /nfs/dbraw/zinc/66/38/21/386663821.db2.gz MYVLMNFDWKRGOT-DTORHVGOSA-N 0 3 228.292 0.148 20 0 BCADHN CCN(CC)CC(=O)NCc1c[nH]cn1 ZINC000330378385 386682207 /nfs/dbraw/zinc/68/22/07/386682207.db2.gz JVYZFHMEPBKTQS-UHFFFAOYSA-N 0 3 210.281 0.368 20 0 BCADHN CCN(CC)CC(=O)NCc1cnc[nH]1 ZINC000330378385 386682216 /nfs/dbraw/zinc/68/22/16/386682216.db2.gz JVYZFHMEPBKTQS-UHFFFAOYSA-N 0 3 210.281 0.368 20 0 BCADHN CN(C)CCNC(=O)Cc1ncccc1F ZINC000279332643 386667102 /nfs/dbraw/zinc/66/71/02/386667102.db2.gz AXXWWLYQRURKJI-UHFFFAOYSA-N 0 3 225.267 0.441 20 0 BCADHN CN(C)CCN(C)Cc1cccc(C(N)=O)c1 ZINC000340676295 386667236 /nfs/dbraw/zinc/66/72/36/386667236.db2.gz MTAOYUJFUSOQMF-UHFFFAOYSA-N 0 3 235.331 0.779 20 0 BCADHN Cc1c([C@@H]2OCC[C@H]2NC[C@@H](C)O)cnn1C ZINC000337205753 386668023 /nfs/dbraw/zinc/66/80/23/386668023.db2.gz LEMQQTQHPVRRRG-FXAINCCUSA-N 0 3 239.319 0.529 20 0 BCADHN CC[C@@]1(O)CCN([C@H](C)C(=O)NCC(C)C)C1 ZINC000425933022 386670803 /nfs/dbraw/zinc/67/08/03/386670803.db2.gz XNKPPHWTHIFZPA-DGCLKSJQSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@@](C)(CO)NCC(=O)NCC1CC1 ZINC000336647306 386671104 /nfs/dbraw/zinc/67/11/04/386671104.db2.gz BTKXFJGBBHHBGC-GFCCVEGCSA-N 0 3 228.336 0.509 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)Cc1nc[nH]c1C ZINC000279358743 386671552 /nfs/dbraw/zinc/67/15/52/386671552.db2.gz KCFNQJWGTBERFO-LDYMZIIASA-N 0 3 239.319 0.784 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@]2(CNC(=O)C2)C1 ZINC000279384863 386674262 /nfs/dbraw/zinc/67/42/62/386674262.db2.gz JROVSVQMOARYPE-GFCCVEGCSA-N 0 3 234.303 0.430 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CC12CCOCC2 ZINC000520442767 386674882 /nfs/dbraw/zinc/67/48/82/386674882.db2.gz AEWBXMGZFGTJQI-WDEREUQCSA-N 0 3 240.347 0.869 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000365661323 386675416 /nfs/dbraw/zinc/67/54/16/386675416.db2.gz QJUZNQRWPPXTCN-GHMZBOCLSA-N 0 3 248.330 0.296 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000365661325 386675942 /nfs/dbraw/zinc/67/59/42/386675942.db2.gz QJUZNQRWPPXTCN-QWRGUYRKSA-N 0 3 248.330 0.296 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000365661326 386677054 /nfs/dbraw/zinc/67/70/54/386677054.db2.gz QJUZNQRWPPXTCN-WDEREUQCSA-N 0 3 248.330 0.296 20 0 BCADHN C[C@@H]1COCCN(CCc2ccnn2C)C1 ZINC000335530480 386677814 /nfs/dbraw/zinc/67/78/14/386677814.db2.gz AWZHQFWUFHMWPR-NSHDSACASA-N 0 3 223.320 0.931 20 0 BCADHN COC(=O)CN1CC[C@@H](N2CCCCC2)C1 ZINC000062981169 386679749 /nfs/dbraw/zinc/67/97/49/386679749.db2.gz GOJUDLYDFPHOII-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN O=C1C[C@H]2CC[C@@H](CN1)N2CCc1cccnc1 ZINC000335530868 386681125 /nfs/dbraw/zinc/68/11/25/386681125.db2.gz CEAQJIKRHTWCIY-OLZOCXBDSA-N 0 3 245.326 0.977 20 0 BCADHN CCN(CCN1C(=O)CCC1=O)C[C@@H](C)OC ZINC000643420377 386681211 /nfs/dbraw/zinc/68/12/11/386681211.db2.gz WNLCFOPHIYANKD-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN O=C(CN1CCC[C@H](CO)CC1)N1CCC1 ZINC000336548964 386681268 /nfs/dbraw/zinc/68/12/68/386681268.db2.gz OZHQFKCZLGLUIP-NSHDSACASA-N 0 3 226.320 0.313 20 0 BCADHN COc1ccncc1Cn1cc(C(C)(C)N)nn1 ZINC000310902089 386656915 /nfs/dbraw/zinc/65/69/15/386656915.db2.gz MZQSTJDDIYZUTI-UHFFFAOYSA-N 0 3 247.302 0.924 20 0 BCADHN CO[C@]1(C)C[C@@H](NC(=O)CN)C1(C)C ZINC000121682599 386710592 /nfs/dbraw/zinc/71/05/92/386710592.db2.gz CKDAYEYPKKKYJP-GMSGAONNSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@@H](C[N-]S(=O)(=O)c1ccco1)C[NH+](C)C ZINC000292511834 386683174 /nfs/dbraw/zinc/68/31/74/386683174.db2.gz DZGGOIGRNLUNND-VIFPVBQESA-N 0 3 246.332 0.756 20 0 BCADHN NC1(C(=O)N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000648088564 386684015 /nfs/dbraw/zinc/68/40/15/386684015.db2.gz QWSBKQQTWAKIFS-LURJTMIESA-N 0 3 238.209 0.267 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccnc(C)c2)C1 ZINC000187889641 386685876 /nfs/dbraw/zinc/68/58/76/386685876.db2.gz KTSGXYNTNLWMQI-WDEREUQCSA-N 0 3 235.287 0.705 20 0 BCADHN CCOC[C@@H](C)NCCCS(C)(=O)=O ZINC000063014915 386685963 /nfs/dbraw/zinc/68/59/63/386685963.db2.gz JYBSMTCRWCDHJE-SECBINFHSA-N 0 3 223.338 0.436 20 0 BCADHN CC(C)N(CC(N)=O)C[C@H]1CCC[C@H](O)C1 ZINC000647956533 386687646 /nfs/dbraw/zinc/68/76/46/386687646.db2.gz YDFXLGMCXWFRJQ-QWRGUYRKSA-N 0 3 228.336 0.733 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCCCO1 ZINC000129731092 386688715 /nfs/dbraw/zinc/68/87/15/386688715.db2.gz KVUIHOIYRZPOAJ-JTQLQIEISA-N 0 3 210.281 0.474 20 0 BCADHN CCN(C)C(=O)CCN1CCN(C)[C@@H](C)[C@@H]1C ZINC000357008897 386688994 /nfs/dbraw/zinc/68/89/94/386688994.db2.gz VGUHGZPWYPUHDD-RYUDHWBXSA-N 0 3 241.379 0.879 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000335470033 386689279 /nfs/dbraw/zinc/68/92/79/386689279.db2.gz NUSYFWXYYGXKAG-VHSXEESVSA-N 0 3 226.320 0.798 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CC[C@H]1C(=O)OC ZINC000352839624 386689596 /nfs/dbraw/zinc/68/95/96/386689596.db2.gz ADCQJIQFNOTJAO-NXEZZACHSA-N 0 3 242.319 0.254 20 0 BCADHN Cc1c[nH]nc1CN[C@@H](CO)C1CCOCC1 ZINC000352839953 386689769 /nfs/dbraw/zinc/68/97/69/386689769.db2.gz SNYCHBSFDBHJTG-LBPRGKRZSA-N 0 3 239.319 0.595 20 0 BCADHN C[C@@H]1OCC[C@H]1NC(=O)[C@]1(C)CCCCN1 ZINC000121457712 386711755 /nfs/dbraw/zinc/71/17/55/386711755.db2.gz GQJRDTBFZNICHR-UMNHJUIQSA-N 0 3 226.320 0.812 20 0 BCADHN CNC(=O)CCN[C@@H](CO)c1ccsc1 ZINC000336759849 386690381 /nfs/dbraw/zinc/69/03/81/386690381.db2.gz LDCFAXDQLWPIIC-VIFPVBQESA-N 0 3 228.317 0.507 20 0 BCADHN C[C@@H](C1CCC1)N(C)CCNS(C)(=O)=O ZINC000357021971 386691104 /nfs/dbraw/zinc/69/11/04/386691104.db2.gz IYOPTEWUCBJZLV-VIFPVBQESA-N 0 3 234.365 0.656 20 0 BCADHN O=C1NC[C@@H]2[C@@H]1CCCN2C[C@H]1CCCCO1 ZINC000337258971 386691115 /nfs/dbraw/zinc/69/11/15/386691115.db2.gz VMVLZPADVJKGGU-GRYCIOLGSA-N 0 3 238.331 0.766 20 0 BCADHN CCO[C@@H]1C[C@@H]1NC(=O)NC[C@H](C)N(C)C ZINC000520517048 386692676 /nfs/dbraw/zinc/69/26/76/386692676.db2.gz QPXDMEKOOIUPLO-LPEHRKFASA-N 0 3 229.324 0.413 20 0 BCADHN CCC[C@H](C(=O)NC[C@@H]1CCC[C@H]1O)N(C)C ZINC000330437388 386693931 /nfs/dbraw/zinc/69/39/31/386693931.db2.gz ZAZJVDMSRDFKGN-QJPTWQEYSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@]1(CNC(=O)[C@@H](N)CC(F)F)CCCO1 ZINC000336648449 386694181 /nfs/dbraw/zinc/69/41/81/386694181.db2.gz GDIMBYXNHYNLKT-XVKPBYJWSA-N 0 3 236.262 0.654 20 0 BCADHN O=C1NC[C@@H]2[C@@H]1CCCN2CC[C@@H]1CCCO1 ZINC000337262043 386694870 /nfs/dbraw/zinc/69/48/70/386694870.db2.gz YJHRCRLSQZKFBG-SDDRHHMPSA-N 0 3 238.331 0.766 20 0 BCADHN CC(C)N1CCN(CCc2cn[nH]n2)CC1 ZINC000647956839 386698240 /nfs/dbraw/zinc/69/82/40/386698240.db2.gz KDJFCHPBLMVWRU-UHFFFAOYSA-N 0 3 223.324 0.373 20 0 BCADHN CCOC[C@H](C)N[C@@H]1CCCN(C)C1=O ZINC000336760148 386699992 /nfs/dbraw/zinc/69/99/92/386699992.db2.gz LNCIHKDLMZNBGC-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1CO[C@H](C)C1)N(C)C ZINC000645440031 386701677 /nfs/dbraw/zinc/70/16/77/386701677.db2.gz FKBAECFPGZAXTA-IVZWLZJFSA-N 0 3 229.324 0.413 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1CCOCCO ZINC000357039411 386701912 /nfs/dbraw/zinc/70/19/12/386701912.db2.gz OHIFIBQOPZOOEK-WDEREUQCSA-N 0 3 216.325 0.020 20 0 BCADHN C[C@H]1[C@H](C)N(CCOCCO)CCN1C ZINC000357039410 386702477 /nfs/dbraw/zinc/70/24/77/386702477.db2.gz OHIFIBQOPZOOEK-QWRGUYRKSA-N 0 3 216.325 0.020 20 0 BCADHN CN(C)CCNC(=O)CCc1cnccn1 ZINC000279565846 386702729 /nfs/dbraw/zinc/70/27/29/386702729.db2.gz FPLPPTORZIGLFA-UHFFFAOYSA-N 0 3 222.292 0.087 20 0 BCADHN COC(=O)CCNC(=O)CN1CC[C@@H](C)C1 ZINC000330404175 386704903 /nfs/dbraw/zinc/70/49/03/386704903.db2.gz GYRXXJXBMQOEIJ-SECBINFHSA-N 0 3 228.292 0.008 20 0 BCADHN C[C@@H]1CN(C(=O)N[C@@H]2CCSC2)[C@@H](C)CN1 ZINC000417773915 386705612 /nfs/dbraw/zinc/70/56/12/386705612.db2.gz MCIZMKRBDJGTSG-KXUCPTDWSA-N 0 3 243.376 0.884 20 0 BCADHN Cc1nnc(CN2CCN(C)[C@H](C)[C@@H]2C)n1C ZINC000357048326 386705616 /nfs/dbraw/zinc/70/56/16/386705616.db2.gz ZNINBVODWATQOE-ZJUUUORDSA-N 0 3 237.351 0.648 20 0 BCADHN C[C@@H]1CN(C(=O)N[C@H]2CCSC2)[C@@H](C)CN1 ZINC000417773917 386706021 /nfs/dbraw/zinc/70/60/21/386706021.db2.gz MCIZMKRBDJGTSG-UTLUCORTSA-N 0 3 243.376 0.884 20 0 BCADHN CCCCN(CC)CC(=O)NC(=O)NC ZINC000302832479 386731440 /nfs/dbraw/zinc/73/14/40/386731440.db2.gz IOMBAGZRDLIOHC-UHFFFAOYSA-N 0 3 215.297 0.564 20 0 BCADHN Cn1nccc1CNC[C@H](CO)[C@@H]1CCOC1 ZINC000520686604 386733896 /nfs/dbraw/zinc/73/38/96/386733896.db2.gz MPXGWSSDZIURPW-GHMZBOCLSA-N 0 3 239.319 0.155 20 0 BCADHN NC(=O)N1CCCN(Cc2cccc(N)c2)CC1 ZINC000647961920 386735594 /nfs/dbraw/zinc/73/55/94/386735594.db2.gz DXYMOVYHUGFYAM-UHFFFAOYSA-N 0 3 248.330 0.855 20 0 BCADHN Cc1cnn(C)c1CNC[C@@H](O)C1CCC1 ZINC000316496745 259694093 /nfs/dbraw/zinc/69/40/93/259694093.db2.gz WIRFUEIHPNTFDC-GFCCVEGCSA-N 0 3 223.320 0.979 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)Cn1cccn1)N(C)C ZINC000330428028 386712688 /nfs/dbraw/zinc/71/26/88/386712688.db2.gz JHXKILXMDKUMGR-QWRGUYRKSA-N 0 3 238.335 0.728 20 0 BCADHN CC[C@H]1[C@H](C)CCN1CC(=O)NCC(=O)OC ZINC000185635837 386712737 /nfs/dbraw/zinc/71/27/37/386712737.db2.gz NDMIWINUVREKQF-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN CCN(CC)CC(=O)NCc1ccn(C)n1 ZINC000330390990 386714492 /nfs/dbraw/zinc/71/44/92/386714492.db2.gz ZPOCLUNLSJXSAS-UHFFFAOYSA-N 0 3 224.308 0.378 20 0 BCADHN CN(C)C1CN(c2ncncc2Cl)C1 ZINC000302597979 386716815 /nfs/dbraw/zinc/71/68/15/386716815.db2.gz XXCOTHQTOVFICD-UHFFFAOYSA-N 0 3 212.684 0.880 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@H](C)C(=O)NCCF ZINC000336760701 386718692 /nfs/dbraw/zinc/71/86/92/386718692.db2.gz MAAIUGPARAZXTQ-IWSPIJDZSA-N 0 3 220.288 0.474 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(C)[nH]c1C(=O)OC ZINC000236950214 386721918 /nfs/dbraw/zinc/72/19/18/386721918.db2.gz WPKXUMMMCSQJAJ-ZETCQYMHSA-N 0 3 239.275 0.786 20 0 BCADHN CC[C@H]1CCCCN1CCNC(=O)CO ZINC000330467969 386725497 /nfs/dbraw/zinc/72/54/97/386725497.db2.gz YKINHAJIQSLCMT-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN CC[NH2+]CCNCc1nc(C)ccc1[O-] ZINC000414835675 386726964 /nfs/dbraw/zinc/72/69/64/386726964.db2.gz VLZQFFLIBRVVFO-UHFFFAOYSA-N 0 3 209.293 0.795 20 0 BCADHN COC(=O)c1ccc(CNC(=O)[C@H](C)N)o1 ZINC000269058945 386744750 /nfs/dbraw/zinc/74/47/50/386744750.db2.gz IWOWAPLHVYVGPG-LURJTMIESA-N 0 3 226.232 0.030 20 0 BCADHN C[C@H](NC(=O)NCCN(C)C)[C@@H]1CCCOC1 ZINC000357242742 386745309 /nfs/dbraw/zinc/74/53/09/386745309.db2.gz LVBCWZJDWKBLON-WDEREUQCSA-N 0 3 243.351 0.662 20 0 BCADHN CC[C@H](N)C(=O)N(CCC(N)=O)c1ccccc1 ZINC000269062618 386746205 /nfs/dbraw/zinc/74/62/05/386746205.db2.gz VMIOFJJWVDKLAD-NSHDSACASA-N 0 3 249.314 0.632 20 0 BCADHN O=C(CN[C@@H]1CCC[C@@H]1OC(F)F)N1CCC1 ZINC000348519709 386747571 /nfs/dbraw/zinc/74/75/71/386747571.db2.gz FQPMAURCNUNGTF-BDAKNGLRSA-N 0 3 248.273 0.969 20 0 BCADHN COC(=O)c1cc(NC(=O)C(C)(C)N)cn1C ZINC000269104627 386750315 /nfs/dbraw/zinc/75/03/15/386750315.db2.gz UEIBRGBXKJIHII-UHFFFAOYSA-N 0 3 239.275 0.488 20 0 BCADHN CNCC(=O)NC(C)(C)C(=O)Nc1ccccc1 ZINC000648065584 386752597 /nfs/dbraw/zinc/75/25/97/386752597.db2.gz IUUWWUVCXJYWFA-UHFFFAOYSA-N 0 3 249.314 0.739 20 0 BCADHN CC(C)(C)SCCN1C[C@H](O)C[C@H]1CO ZINC000367259750 386769614 /nfs/dbraw/zinc/76/96/14/386769614.db2.gz XUXMCQFWLIMPOD-VHSXEESVSA-N 0 3 233.377 0.946 20 0 BCADHN Cc1cnn(C)c1CNC[C@@H](CO)C1CC1 ZINC000336663934 386752983 /nfs/dbraw/zinc/75/29/83/386752983.db2.gz DRCMFZVVORGQJD-NSHDSACASA-N 0 3 223.320 0.837 20 0 BCADHN CN(C)CCNC(=O)Nc1ccnn1C ZINC000124991048 386753576 /nfs/dbraw/zinc/75/35/76/386753576.db2.gz OIAYOEOWVQUEFK-UHFFFAOYSA-N 0 3 211.269 0.103 20 0 BCADHN O=C1C[C@H]2CC[C@@H](CN1)N2CC1=CCCOC1 ZINC000334155384 386754346 /nfs/dbraw/zinc/75/43/46/386754346.db2.gz VEXUUHUJKGAASV-NEPJUHHUSA-N 0 3 236.315 0.686 20 0 BCADHN CN(C)C/C=C/C(=O)NCCN1CC=CCC1 ZINC000279913119 386755194 /nfs/dbraw/zinc/75/51/94/386755194.db2.gz FQWMGQWCDUUMNS-VOTSOKGWSA-N 0 3 237.347 0.482 20 0 BCADHN CCCCN(CC(N)=O)C(=O)[C@H](C)NC1CC1 ZINC000394953752 386756674 /nfs/dbraw/zinc/75/66/74/386756674.db2.gz OOWRFFSDXOCNQY-VIFPVBQESA-N 0 3 241.335 0.241 20 0 BCADHN C[C@H]1C[C@H](NCc2cnc(N)nc2N)CS1 ZINC000639263398 386757575 /nfs/dbraw/zinc/75/75/75/386757575.db2.gz UJPWJVMTAHCKFM-XPUUQOCRSA-N 0 3 239.348 0.285 20 0 BCADHN CCN(C)CCNC(=O)c1cncc(Cl)n1 ZINC000192350455 386758142 /nfs/dbraw/zinc/75/81/42/386758142.db2.gz KRSKGEWFPZGDFJ-UHFFFAOYSA-N 0 3 242.710 0.812 20 0 BCADHN CCN(CCn1ccccc1=O)[C@@H]1CCOC1 ZINC000643400984 386758637 /nfs/dbraw/zinc/75/86/37/386758637.db2.gz XDMBJEDAAHLSBW-GFCCVEGCSA-N 0 3 236.315 0.959 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H]2NCC2(C)C)CCO1 ZINC000645335330 386759133 /nfs/dbraw/zinc/75/91/33/386759133.db2.gz YTWIDFWQTRNIPZ-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN CCN(CCO)CCNCc1cocn1 ZINC000192344832 386759936 /nfs/dbraw/zinc/75/99/36/386759936.db2.gz ICXKYIJGYMSUNL-UHFFFAOYSA-N 0 3 213.281 0.078 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H](O)[C@@H]1C)N(C)C ZINC000452723438 386760201 /nfs/dbraw/zinc/76/02/01/386760201.db2.gz XTIWYBFPEGAECK-AXFHLTTASA-N 0 3 228.336 0.698 20 0 BCADHN CCSCCN1CC[C@H](NC(N)=O)C1 ZINC000330507452 386762948 /nfs/dbraw/zinc/76/29/48/386762948.db2.gz AYWCXKCVEGDHBQ-QMMMGPOBSA-N 0 3 217.338 0.896 20 0 BCADHN Cc1noc(C)c1S(=O)(=O)[N-]CCCC[NH3+] ZINC000020224309 386791106 /nfs/dbraw/zinc/79/11/06/386791106.db2.gz JIZRFPXBFJGXHJ-UHFFFAOYSA-N 0 3 247.320 0.309 20 0 BCADHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCO ZINC000340864497 386791759 /nfs/dbraw/zinc/79/17/59/386791759.db2.gz PULVIAMBYLJFPA-NEPJUHHUSA-N 0 3 228.336 0.700 20 0 BCADHN O=C1NCC[C@@H]1N1CCC(c2ncc[nH]2)CC1 ZINC000269264046 386770945 /nfs/dbraw/zinc/77/09/45/386770945.db2.gz FVJGHJTZOADBOJ-JTQLQIEISA-N 0 3 234.303 0.478 20 0 BCADHN COC(=O)[C@H]1CSCCN([C@H]2CCOC2)C1 ZINC000334637095 386771102 /nfs/dbraw/zinc/77/11/02/386771102.db2.gz KWBDNPDLBQURPP-ZJUUUORDSA-N 0 3 245.344 0.613 20 0 BCADHN Cc1nn(C)c(C)c1NC(=O)[C@H]1NCC1(C)C ZINC000647908562 386772559 /nfs/dbraw/zinc/77/25/59/386772559.db2.gz DYULNYMRSMRVCB-SNVBAGLBSA-N 0 3 236.319 0.973 20 0 BCADHN CSCCC(=O)NCCN1CCCC1 ZINC000344902207 386796421 /nfs/dbraw/zinc/79/64/21/386796421.db2.gz XBOIMYRPTWTZDF-UHFFFAOYSA-N 0 3 216.350 0.952 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2ccncc2)C1 ZINC000280135557 386781741 /nfs/dbraw/zinc/78/17/41/386781741.db2.gz CPJFFBMWEUONKI-LBPRGKRZSA-N 0 3 219.288 0.779 20 0 BCADHN CC(C)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000330604833 386784376 /nfs/dbraw/zinc/78/43/76/386784376.db2.gz JDPGFIPQLKRLPV-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CSCC[C@H](O)C(=O)NC1CCN(C)CC1 ZINC000330542991 386785050 /nfs/dbraw/zinc/78/50/50/386785050.db2.gz IWBZEQIMARRWHO-JTQLQIEISA-N 0 3 246.376 0.311 20 0 BCADHN CCN(CC)CC(=O)N(C)C1CC(OC)C1 ZINC000340837692 386785976 /nfs/dbraw/zinc/78/59/76/386785976.db2.gz OCYVBHOKHDSXFA-UHFFFAOYSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@H]1CCCOC1)N(C)C ZINC000340838537 386786193 /nfs/dbraw/zinc/78/61/93/386786193.db2.gz GZAQERNSTHCZRN-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NCC(F)(F)CN)C1 ZINC000417805571 386786408 /nfs/dbraw/zinc/78/64/08/386786408.db2.gz HLIRWFGMKSOGHQ-SFYZADRCSA-N 0 3 235.278 0.085 20 0 BCADHN C[C@H](O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000344870290 386786958 /nfs/dbraw/zinc/78/69/58/386786958.db2.gz SVNPEWUJIVLESO-VWYCJHECSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1ccc(CNC(=O)[C@H](N)CC(F)F)cn1 ZINC000336723976 386789161 /nfs/dbraw/zinc/78/91/61/386789161.db2.gz UJBDXCURCCRJDC-SECBINFHSA-N 0 3 243.257 0.989 20 0 BCADHN C[C@H](N[C@@H]1CCSC1)C(=O)NCCF ZINC000336672106 386817049 /nfs/dbraw/zinc/81/70/49/386817049.db2.gz ZPISIONSLUUSSV-JGVFFNPUSA-N 0 3 220.313 0.556 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@@H](C)COC ZINC000188493948 386818221 /nfs/dbraw/zinc/81/82/21/386818221.db2.gz VTZGTVGJMBITFO-IUCAKERBSA-N 0 3 202.298 0.478 20 0 BCADHN CN(CCC(N)=O)CCN1CCCC1=O ZINC000330618325 386819343 /nfs/dbraw/zinc/81/93/43/386819343.db2.gz XRJSQINMQJEEOE-UHFFFAOYSA-N 0 3 213.281 0.466 20 0 BCADHN CN(C)CCN(C)C(=O)Cc1ncccc1F ZINC000280504624 386819773 /nfs/dbraw/zinc/81/97/73/386819773.db2.gz WSMKGUANMJUGJK-UHFFFAOYSA-N 0 3 239.294 0.783 20 0 BCADHN CN(CCC(N)=O)CCc1cnn(C)c1 ZINC000330616733 386819882 /nfs/dbraw/zinc/81/98/82/386819882.db2.gz VRKLGTLIWSHARH-UHFFFAOYSA-N 0 3 210.281 0.820 20 0 BCADHN O[C@H]1CN(CCCC2CCOCC2)C[C@@H]1O ZINC000408447635 386821580 /nfs/dbraw/zinc/82/15/80/386821580.db2.gz ZKYMJBYFRPTVHX-RYUDHWBXSA-N 0 3 229.320 0.231 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)[C@H]1C ZINC000357512433 386797299 /nfs/dbraw/zinc/79/72/99/386797299.db2.gz FFVKHAKOEHWBRY-WOPDTQHZSA-N 0 3 237.347 0.243 20 0 BCADHN COc1ccc(CNCCC(N)=O)c(F)c1 ZINC000228596154 386797726 /nfs/dbraw/zinc/79/77/26/386797726.db2.gz CWGVDTNYCUPBEA-UHFFFAOYSA-N 0 3 226.251 0.799 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2cncs2)C1 ZINC000280264167 386798025 /nfs/dbraw/zinc/79/80/25/386798025.db2.gz MABFEADWTGGRAH-JTQLQIEISA-N 0 3 225.317 0.840 20 0 BCADHN Cc1ccn2c(CN[C@H](C)CC(N)=O)cnc2c1 ZINC000344905896 386799137 /nfs/dbraw/zinc/79/91/37/386799137.db2.gz XDZWQEDRGRIQAL-SNVBAGLBSA-N 0 3 246.314 0.996 20 0 BCADHN Cc1ccn2c(CN[C@@H](C)CC(N)=O)cnc2c1 ZINC000344905889 386799524 /nfs/dbraw/zinc/79/95/24/386799524.db2.gz XDZWQEDRGRIQAL-JTQLQIEISA-N 0 3 246.314 0.996 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2NCC2(C)C)C[C@H](C)O1 ZINC000645157818 386801086 /nfs/dbraw/zinc/80/10/86/386801086.db2.gz VGOXNLAILZAQJA-AEJSXWLSSA-N 0 3 226.320 0.620 20 0 BCADHN CCN(CCOC)[C@@H](C)CN1CCOCC1 ZINC000340945667 386804505 /nfs/dbraw/zinc/80/45/05/386804505.db2.gz YQJZPYKTWLELJH-LBPRGKRZSA-N 0 3 230.352 0.675 20 0 BCADHN C[C@@H](O)CN1CCC(n2cncn2)CC1 ZINC000192974881 386806114 /nfs/dbraw/zinc/80/61/14/386806114.db2.gz AACBAIQCYSDJBT-SECBINFHSA-N 0 3 210.281 0.296 20 0 BCADHN CCOCCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000340958777 386807452 /nfs/dbraw/zinc/80/74/52/386807452.db2.gz UNRFKAXKGTZGAV-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN CS(=O)(=O)C1(CN[C@H]2CCSC2)CC1 ZINC000336670037 386807393 /nfs/dbraw/zinc/80/73/93/386807393.db2.gz YDCKTXKPGPHLCP-QMMMGPOBSA-N 0 3 235.374 0.659 20 0 BCADHN C[C@@H](O)CN(C)C1(C(N)=O)CCCC1 ZINC000193000206 386809669 /nfs/dbraw/zinc/80/96/69/386809669.db2.gz STULMXSFBOAMMM-MRVPVSSYSA-N 0 3 200.282 0.097 20 0 BCADHN CO[C@@H](C(=O)NC[C@H]1CCCN1C)C(C)C ZINC000352874648 386812712 /nfs/dbraw/zinc/81/27/12/386812712.db2.gz FNROXPZXTFPTGL-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN COC[C@@H]1CCN(CC(=O)N2CCCC2)C1 ZINC000352875245 386812914 /nfs/dbraw/zinc/81/29/14/386812914.db2.gz XLWMDXVRZLTLJZ-LLVKDONJSA-N 0 3 226.320 0.577 20 0 BCADHN COC(=O)[C@@H]1CCN(CCOCC2CC2)C1 ZINC000357613040 386813940 /nfs/dbraw/zinc/81/39/40/386813940.db2.gz WWSKCGNYXSIQFT-LLVKDONJSA-N 0 3 227.304 0.908 20 0 BCADHN CN1CCC[C@H](N2CCC[C@@](C)(O)CC2)C1=O ZINC000526076810 386814242 /nfs/dbraw/zinc/81/42/42/386814242.db2.gz WVMBBOGJCSWNCR-WCQYABFASA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](N)C(=O)N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000648093485 386825935 /nfs/dbraw/zinc/82/59/35/386825935.db2.gz GGLRCRQHKKLZQT-ACZMJKKPSA-N 0 3 240.225 0.512 20 0 BCADHN CN(CCN1CCCC1)c1ccc2nnnn2n1 ZINC000301211273 386826433 /nfs/dbraw/zinc/82/64/33/386826433.db2.gz VCCFJDWRBNUBFG-UHFFFAOYSA-N 0 3 247.306 0.051 20 0 BCADHN CC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000334775047 386826977 /nfs/dbraw/zinc/82/69/77/386826977.db2.gz DOEBBLXUNGEDLR-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN C[C@H]1OCC[C@@H]1N(CCO)CCn1ccnc1 ZINC000330103645 386827701 /nfs/dbraw/zinc/82/77/01/386827701.db2.gz GLDVUWFRKNHXAL-NEPJUHHUSA-N 0 3 239.319 0.355 20 0 BCADHN CC[C@H](O)CCCNC(=O)C1(N)CCCC1 ZINC000398493240 386830011 /nfs/dbraw/zinc/83/00/11/386830011.db2.gz TXJYFPPPLCFDEL-JTQLQIEISA-N 0 3 228.336 0.925 20 0 BCADHN C[C@]1(CO)CCC[C@@H]1NCC(=O)NCC1CC1 ZINC000331434923 386853338 /nfs/dbraw/zinc/85/33/38/386853338.db2.gz GNOJVFUNDIWVOS-WCQYABFASA-N 0 3 240.347 0.653 20 0 BCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)C ZINC000357864716 386853325 /nfs/dbraw/zinc/85/33/25/386853325.db2.gz PFMPXCBYARIARC-MWLCHTKSSA-N 0 3 241.335 0.064 20 0 BCADHN C[C@]1(CCCO)CCCN1CC(=O)NC(N)=O ZINC000330691186 386833213 /nfs/dbraw/zinc/83/32/13/386833213.db2.gz YZNMWRBCSJNZFR-LLVKDONJSA-N 0 3 243.307 0.222 20 0 BCADHN CCCCCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000357724813 386833832 /nfs/dbraw/zinc/83/38/32/386833832.db2.gz CQRBJYDCGLUWAQ-LBPRGKRZSA-N 0 3 243.351 0.542 20 0 BCADHN CCN[C@H](C)C(=O)N1CCC(COC)CC1 ZINC000637981597 386835255 /nfs/dbraw/zinc/83/52/55/386835255.db2.gz VBIWQZOISFUXNJ-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CCN(C[C@H](C)O)C(=O)C12CCCN1CCC2 ZINC000341098113 386836806 /nfs/dbraw/zinc/83/68/06/386836806.db2.gz JJRXQNPYKPMEHL-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC(O)C1 ZINC000334781741 386838405 /nfs/dbraw/zinc/83/84/05/386838405.db2.gz SAVZCPHTHRATBQ-RKDXNWHRSA-N 0 3 212.293 0.062 20 0 BCADHN CS[C@@H]1CC[C@H]1N[C@@H](CO)c1cnn(C)c1 ZINC000425339422 386840762 /nfs/dbraw/zinc/84/07/62/386840762.db2.gz COGZGHZXGJOFKQ-OUAUKWLOSA-N 0 3 241.360 0.937 20 0 BCADHN C[C@@]1(CO)C[C@H](O)CN1CCc1cncs1 ZINC000639848153 386842780 /nfs/dbraw/zinc/84/27/80/386842780.db2.gz FNGNMJCEHYSGMG-ONGXEEELSA-N 0 3 242.344 0.503 20 0 BCADHN Cc1ccncc1[C@@H](C)NC[C@H](O)CN(C)C ZINC000357778300 386842981 /nfs/dbraw/zinc/84/29/81/386842981.db2.gz NEXLGESZQLBWIJ-NEPJUHHUSA-N 0 3 237.347 0.963 20 0 BCADHN CCOC(=O)COCCN1CCC[C@@H](O)[C@H]1C ZINC000395075772 386844530 /nfs/dbraw/zinc/84/45/30/386844530.db2.gz QZJHTYRRGFZIPV-GHMZBOCLSA-N 0 3 245.319 0.411 20 0 BCADHN CS[C@@H]1CC[C@@H]1NCC(=O)NC(C)C ZINC000425334351 386847097 /nfs/dbraw/zinc/84/70/97/386847097.db2.gz DNHAPKMUWMNOFK-DTWKUNHWSA-N 0 3 216.350 0.995 20 0 BCADHN CS[C@H]1CC[C@@H]1NCC(=O)NC(C)C ZINC000425334352 386848367 /nfs/dbraw/zinc/84/83/67/386848367.db2.gz DNHAPKMUWMNOFK-IUCAKERBSA-N 0 3 216.350 0.995 20 0 BCADHN CC(C)N(C)CC(=O)N1CCNC[C@H]1C(F)F ZINC000367283063 386848542 /nfs/dbraw/zinc/84/85/42/386848542.db2.gz RHEUXCIZJPDFND-VIFPVBQESA-N 0 3 249.305 0.392 20 0 BCADHN COC(=O)CCCNC(=O)N[C@H](C)CN(C)C ZINC000349527490 386851440 /nfs/dbraw/zinc/85/14/40/386851440.db2.gz SLMHHAUKHHQVRX-SECBINFHSA-N 0 3 245.323 0.189 20 0 BCADHN C[C@H]1[C@H](NC(=O)C2(O)CCC2)CCCN1C ZINC000358092886 386891137 /nfs/dbraw/zinc/89/11/37/386891137.db2.gz DUCISJIHUFABKM-VHSXEESVSA-N 0 3 226.320 0.500 20 0 BCADHN C[C@H](CCO)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331751017 386892611 /nfs/dbraw/zinc/89/26/11/386892611.db2.gz GMJILGFZKHZPQB-NXEZZACHSA-N 0 3 241.335 0.293 20 0 BCADHN CC(=O)N1CCC[C@H]1C(=O)NC[C@H](C)N(C)C ZINC000357864720 386854166 /nfs/dbraw/zinc/85/41/66/386854166.db2.gz PFMPXCBYARIARC-ONGXEEELSA-N 0 3 241.335 0.064 20 0 BCADHN Cc1cnccc1CN1C[C@@H](O)C[C@]1(C)CO ZINC000639849259 386854218 /nfs/dbraw/zinc/85/42/18/386854218.db2.gz SZMQJQXZRZGBKT-QWHCGFSZSA-N 0 3 236.315 0.708 20 0 BCADHN C[C@@H](CNC(=O)C1CC(=O)C1)CN(C)C ZINC000341227103 386857582 /nfs/dbraw/zinc/85/75/82/386857582.db2.gz GOKGQAKTXHYBCP-QMMMGPOBSA-N 0 3 212.293 0.279 20 0 BCADHN C[C@H](C(=O)NC[C@@]1(O)CCN(C)C1)C1CCC1 ZINC000331477546 386858997 /nfs/dbraw/zinc/85/89/97/386858997.db2.gz LEADBHCMHSLCGR-GWCFXTLKSA-N 0 3 240.347 0.605 20 0 BCADHN CO[C@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CC[C@@H]1C ZINC000331487691 386859966 /nfs/dbraw/zinc/85/99/66/386859966.db2.gz XYEVRQTYTCZPEI-JXUBOQSCSA-N 0 3 212.293 0.217 20 0 BCADHN C[C@]1(C(=O)N2CCN3CCC[C@@H]3C2)CCOC1 ZINC000335744326 386862397 /nfs/dbraw/zinc/86/23/97/386862397.db2.gz QSRCXPQLGCXHPE-YPMHNXCESA-N 0 3 238.331 0.720 20 0 BCADHN C[C@H](O)CCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341205010 386862761 /nfs/dbraw/zinc/86/27/61/386862761.db2.gz QEEFMZXSIZGTGW-DCAQKATOSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C(=O)NCCN(C)C1CC1 ZINC000331506173 386862962 /nfs/dbraw/zinc/86/29/62/386862962.db2.gz RJXUHCTZAXQRAU-KOLCDFICSA-N 0 3 241.335 0.245 20 0 BCADHN CCN(CCNC(=O)C1(O)CCCC1)C1CC1 ZINC000331508130 386864085 /nfs/dbraw/zinc/86/40/85/386864085.db2.gz RRBOHUTWDBRLFV-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN COCCN(C)CCNC(=O)[C@H](OC)C1CC1 ZINC000349545720 386868616 /nfs/dbraw/zinc/86/86/16/386868616.db2.gz MUMALCYIEGXPDU-LLVKDONJSA-N 0 3 244.335 0.106 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)C1=CCOCC1 ZINC000335746972 386869054 /nfs/dbraw/zinc/86/90/54/386869054.db2.gz OISWDHWQGNRQHJ-GFCCVEGCSA-N 0 3 238.331 0.886 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)C1=CCOCC1 ZINC000335746973 386869444 /nfs/dbraw/zinc/86/94/44/386869444.db2.gz OISWDHWQGNRQHJ-LBPRGKRZSA-N 0 3 238.331 0.886 20 0 BCADHN CN1CCC(Nc2cncc(C(N)=O)n2)CC1 ZINC000301705524 386870186 /nfs/dbraw/zinc/87/01/86/386870186.db2.gz BJPRZNDJYHAALR-UHFFFAOYSA-N 0 3 235.291 0.082 20 0 BCADHN C[C@@H]1[C@H](NCc2cn(C)nn2)CCCN1C ZINC000336739202 386873791 /nfs/dbraw/zinc/87/37/91/386873791.db2.gz LAFPKBUFNPBGAW-MWLCHTKSSA-N 0 3 223.324 0.387 20 0 BCADHN Cn1nccc1CNCC1([S@@](C)=O)CC1 ZINC000336739172 386874211 /nfs/dbraw/zinc/87/42/11/386874211.db2.gz SDKVTMSOSIHRDI-OAHLLOKOSA-N 0 3 227.333 0.421 20 0 BCADHN COC(=O)CCNC1(CO)Cc2ccccc2C1 ZINC000358004465 386878851 /nfs/dbraw/zinc/87/88/51/386878851.db2.gz PHZVIERDNFVSLT-UHFFFAOYSA-N 0 3 249.310 0.669 20 0 BCADHN CCN(C[C@H](C)O)C(=O)[C@H](C(C)C)N(C)C ZINC000341317670 386879536 /nfs/dbraw/zinc/87/95/36/386879536.db2.gz WUSCUANOPHVNFF-QWRGUYRKSA-N 0 3 230.352 0.802 20 0 BCADHN C[C@H](N[C@@H]1CCC[C@@]1(C)CO)C(=O)NC1CC1 ZINC000331684025 386881931 /nfs/dbraw/zinc/88/19/31/386881931.db2.gz UETAZNLMTMTCKU-NDMJEZRESA-N 0 3 240.347 0.794 20 0 BCADHN C[C@H](NC[C@H]1CC[C@@H](CO)O1)c1cnn(C)c1 ZINC000293809727 386882650 /nfs/dbraw/zinc/88/26/50/386882650.db2.gz 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238.331 0.766 20 0 BCADHN CN(CCN(C)C1CC1)c1ccnc(C(N)=O)c1 ZINC000302235049 386916625 /nfs/dbraw/zinc/91/66/25/386916625.db2.gz FATSZNMSSLYMTD-UHFFFAOYSA-N 0 3 248.330 0.711 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C2(C)COC2)CN1C1CC1 ZINC000335771316 386917513 /nfs/dbraw/zinc/91/75/13/386917513.db2.gz IZADWFXHNDNLJG-UWVGGRQHSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@H](Cn1c(=O)onc1-c1ncccn1)N(C)C ZINC000330891010 386920127 /nfs/dbraw/zinc/92/01/27/386920127.db2.gz WQVXMTODLTXXFO-MRVPVSSYSA-N 0 3 249.274 0.243 20 0 BCADHN CS[C@@H]1CC[C@H]1N[C@@H]1CCC(=O)N(C)C1=O ZINC000425355518 386918503 /nfs/dbraw/zinc/91/85/03/386918503.db2.gz MFTBAWKSBHYRJM-IWSPIJDZSA-N 0 3 242.344 0.617 20 0 BCADHN CCn1nncc1CN[C@H]1CCCN(C)[C@@H]1C ZINC000418011273 386896506 /nfs/dbraw/zinc/89/65/06/386896506.db2.gz USASOVQZLQUVFR-PWSUYJOCSA-N 0 3 237.351 0.870 20 0 BCADHN [O-]c1cc(F)cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000334848887 386896626 /nfs/dbraw/zinc/89/66/26/386896626.db2.gz UCXSLDKVAJSJBX-GDNZZTSVSA-N 0 3 222.263 0.839 20 0 BCADHN CC(C)[C@@H](CO)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331768600 386897037 /nfs/dbraw/zinc/89/70/37/386897037.db2.gz MMEIQSDSPVUZGX-ZYHUDNBSSA-N 0 3 240.347 0.604 20 0 BCADHN C[C@H]1OCC[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000334848359 386897076 /nfs/dbraw/zinc/89/70/76/386897076.db2.gz LJTTXKJBJJSBKL-MNOVXSKESA-N 0 3 238.331 0.908 20 0 BCADHN CC(C(=O)NCC1(C)CC1)S(C)(=O)=O ZINC000331766147 386897576 /nfs/dbraw/zinc/89/75/76/386897576.db2.gz OXWGHAXVLFVARY-SSDOTTSWSA-N 0 3 219.306 0.336 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@H]1CCCN1C1CC1 ZINC000331773089 386900432 /nfs/dbraw/zinc/90/04/32/386900432.db2.gz NQJOJFMXJZRJMF-VXGBXAGGSA-N 0 3 240.347 0.890 20 0 BCADHN CN(C)[C@H]1CCN(c2nccn(C3CC3)c2=O)C1 ZINC000302062853 386901032 /nfs/dbraw/zinc/90/10/32/386901032.db2.gz SPTCNINBIRHQOL-NSHDSACASA-N 0 3 248.330 0.719 20 0 BCADHN CNC(=O)CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC000349655429 386908800 /nfs/dbraw/zinc/90/88/00/386908800.db2.gz MTJCFTYLPYEXAZ-LLVKDONJSA-N 0 3 243.351 0.215 20 0 BCADHN CC[C@H](O)CC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000331818685 386912555 /nfs/dbraw/zinc/91/25/55/386912555.db2.gz YWFCSTQTSPHHPN-ZMLRMANQSA-N 0 3 240.347 0.746 20 0 BCADHN COC(=O)CNC(=O)CN1C[C@@H](C)CC1(C)C ZINC000331045949 386946706 /nfs/dbraw/zinc/94/67/06/386946706.db2.gz FUGKTSTVJWGBOV-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1ccncc1 ZINC000418110207 386920225 /nfs/dbraw/zinc/92/02/25/386920225.db2.gz JDYNGTMEUGPEPC-QWHCGFSZSA-N 0 3 249.358 0.969 20 0 BCADHN CN(C)C1(CNS(N)(=O)=O)CCCCCC1 ZINC000341573000 386920379 /nfs/dbraw/zinc/92/03/79/386920379.db2.gz XVPITPIRCCWKAF-UHFFFAOYSA-N 0 3 249.380 0.434 20 0 BCADHN CO[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1N ZINC000331876123 386920473 /nfs/dbraw/zinc/92/04/73/386920473.db2.gz KMNXUBGHBOTJSF-QCLAVDOMSA-N 0 3 212.293 0.265 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCC[C@@H]1CCCCO1 ZINC000331906991 386923996 /nfs/dbraw/zinc/92/39/96/386923996.db2.gz TVVOGKAJPDDKLU-LPEHRKFASA-N 0 3 212.293 0.409 20 0 BCADHN COC(=O)CNC(=O)CN1C[C@H](C)CC1(C)C ZINC000331045948 386947352 /nfs/dbraw/zinc/94/73/52/386947352.db2.gz FUGKTSTVJWGBOV-SECBINFHSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1CCCOCC1 ZINC000331914623 386924314 /nfs/dbraw/zinc/92/43/14/386924314.db2.gz UAKZVZWHMXLWOD-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCC[C@H]1CCCCO1 ZINC000331906988 386924751 /nfs/dbraw/zinc/92/47/51/386924751.db2.gz TVVOGKAJPDDKLU-KXUCPTDWSA-N 0 3 212.293 0.409 20 0 BCADHN C[C@@H](NC(=O)N(C)CCN(C)C)[C@H]1CCOC1 ZINC000341580019 386925480 /nfs/dbraw/zinc/92/54/80/386925480.db2.gz DYVZDKITEFEKAG-MNOVXSKESA-N 0 3 243.351 0.614 20 0 BCADHN CC[C@H]1CCN1CCCN1C(=O)CNC1=O ZINC000331942759 386927075 /nfs/dbraw/zinc/92/70/75/386927075.db2.gz HRVLEUGNURCVNZ-VIFPVBQESA-N 0 3 225.292 0.413 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@H]2CCCNC2=O)C12CCC2 ZINC000308390851 386927587 /nfs/dbraw/zinc/92/75/87/386927587.db2.gz JQIQSJGYWCLJCY-HBNTYKKESA-N 0 3 238.331 0.812 20 0 BCADHN C[C@@H](CN1CCCCC1)NC(=O)C1(O)CCC1 ZINC000331938193 386928058 /nfs/dbraw/zinc/92/80/58/386928058.db2.gz XHTJZTYYRHWOBH-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN CC[C@H]1C[C@H](C)CN1CC(=O)NCC(=O)OC ZINC000330959042 386929496 /nfs/dbraw/zinc/92/94/96/386929496.db2.gz XDKGOMOBKSSHCY-UWVGGRQHSA-N 0 3 242.319 0.396 20 0 BCADHN CCOC[C@H]1CCCN([C@@H]2CCN(C)C2=O)C1 ZINC000116281111 386931456 /nfs/dbraw/zinc/93/14/56/386931456.db2.gz VCFCPSKLDUMSAZ-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CN(CCN1CCCC1)C(=O)[C@@](C)(O)C1CC1 ZINC000341600323 386931935 /nfs/dbraw/zinc/93/19/35/386931935.db2.gz UXKARRZOHPWWQC-ZDUSSCGKSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H](CNC(=O)[C@@](C)(O)C1CC1)N(C)C1CC1 ZINC000341604018 386932089 /nfs/dbraw/zinc/93/20/89/386932089.db2.gz YSNGBGPGOHEXRK-ZANVPECISA-N 0 3 240.347 0.746 20 0 BCADHN Cc1c[nH]nc1CNCCC1(O)CCOCC1 ZINC000352894514 386932229 /nfs/dbraw/zinc/93/22/29/386932229.db2.gz NRFLUWDRNFQSPK-UHFFFAOYSA-N 0 3 239.319 0.739 20 0 BCADHN CN(C)CC1(NC(=O)CC(=O)N(C)C)CCC1 ZINC000331966462 386933119 /nfs/dbraw/zinc/93/31/19/386933119.db2.gz AXJJBGHDHWPRIP-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](C)C1CCOCC1 ZINC000205361076 386937466 /nfs/dbraw/zinc/93/74/66/386937466.db2.gz FNRZGUIJSUAKBR-BDAKNGLRSA-N 0 3 214.309 0.526 20 0 BCADHN CC1(C)CN(CCOCCO)[C@@H]1[C@@H]1CCCO1 ZINC000368070305 386937964 /nfs/dbraw/zinc/93/79/64/386937964.db2.gz BXYYILKIISXKMK-NWDGAFQWSA-N 0 3 243.347 0.885 20 0 BCADHN COC(=O)C1(NC(=O)[C@@H]2C[C@@H]2N)CCCCC1 ZINC000331996649 386938893 /nfs/dbraw/zinc/93/88/93/386938893.db2.gz QVXUCSISIOEQSH-BDAKNGLRSA-N 0 3 240.303 0.326 20 0 BCADHN C[C@]1(CCCO)CCCN1CC(=O)NC1CC1 ZINC000332000194 386939057 /nfs/dbraw/zinc/93/90/57/386939057.db2.gz ZUHLMULHMPKTAW-CYBMUJFWSA-N 0 3 240.347 0.892 20 0 BCADHN C[C@H](O)CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000330978094 386939107 /nfs/dbraw/zinc/93/91/07/386939107.db2.gz ULLVJOHYPKVAAO-AXFHLTTASA-N 0 3 228.336 0.746 20 0 BCADHN CN(C)S(=O)(=O)CCN[C@H]1CCC12CCC2 ZINC000336762771 386940699 /nfs/dbraw/zinc/94/06/99/386940699.db2.gz LPOILYYGCOIJKR-JTQLQIEISA-N 0 3 246.376 0.800 20 0 BCADHN CO[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000368112183 386942550 /nfs/dbraw/zinc/94/25/50/386942550.db2.gz BZOKXNFMWKQCQH-SGIHWFKDSA-N 0 3 230.283 0.370 20 0 BCADHN CCN(C)C(=O)CCN(CC)[C@@H]1CCNC1=O ZINC000331290623 387007107 /nfs/dbraw/zinc/00/71/07/387007107.db2.gz KFJQTQQYGYYZMS-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H](CO)c1ccsc1 ZINC000336763288 386954847 /nfs/dbraw/zinc/95/48/47/386954847.db2.gz OYBMGGRDKLSZAB-APPZFPTMSA-N 0 3 228.317 0.635 20 0 BCADHN COc1nccc(CNC2(CO)CCCC2)n1 ZINC000395178163 386959851 /nfs/dbraw/zinc/95/98/51/386959851.db2.gz GQZNWDFBPVQKII-UHFFFAOYSA-N 0 3 237.303 0.880 20 0 BCADHN CCCNC(=O)CN1CC[C@H](CO)[C@@H]1C ZINC000395176448 386960106 /nfs/dbraw/zinc/96/01/06/386960106.db2.gz JEEHMJGMCKYWGO-VHSXEESVSA-N 0 3 214.309 0.215 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000332165909 386963915 /nfs/dbraw/zinc/96/39/15/386963915.db2.gz SACRFBHMKPXQFB-UTINFBMNSA-N 0 3 212.293 0.001 20 0 BCADHN CS[C@@H]1CC[C@H]1NCC(=O)N1CCOCC1 ZINC000425354400 386964201 /nfs/dbraw/zinc/96/42/01/386964201.db2.gz NSHCICXKMMQZEA-NXEZZACHSA-N 0 3 244.360 0.329 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@@]1(C)CCO[C@H]1C ZINC000358490123 386964782 /nfs/dbraw/zinc/96/47/82/386964782.db2.gz CTXAGVVSTCZYDS-SCVCMEIPSA-N 0 3 243.351 0.803 20 0 BCADHN CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000332191348 386965992 /nfs/dbraw/zinc/96/59/92/386965992.db2.gz ZIWYGRDFHJLRBH-HOSYDEDBSA-N 0 3 226.320 0.527 20 0 BCADHN Nc1ccccc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368384051 386966377 /nfs/dbraw/zinc/96/63/77/386966377.db2.gz HHXIFSDLUGHCJY-IUCAKERBSA-N 0 3 237.278 0.699 20 0 BCADHN CC(C)N(C)CC(=O)N(C)[C@@H]1CCC[C@H]1O ZINC000341790096 386966770 /nfs/dbraw/zinc/96/67/70/386966770.db2.gz NUCRWXHDPIBKRF-GHMZBOCLSA-N 0 3 228.336 0.698 20 0 BCADHN CCONC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000368379636 386967391 /nfs/dbraw/zinc/96/73/91/386967391.db2.gz GCDSVLRXKDAHIZ-UWVGGRQHSA-N 0 3 227.308 0.674 20 0 BCADHN CC[C@@H](CCO)CNC(=O)C(N)C(F)(F)F ZINC000352919416 386967564 /nfs/dbraw/zinc/96/75/64/386967564.db2.gz XUNBBTLFVLYIAN-BQBZGAKWSA-N 0 3 242.241 0.401 20 0 BCADHN C[C@@]1(CNC(=O)C(N)C(F)(F)F)CCOC1 ZINC000352922419 386967604 /nfs/dbraw/zinc/96/76/04/386967604.db2.gz OQVKXRBCITVYTN-SVRRBLITSA-N 0 3 240.225 0.419 20 0 BCADHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccnn1C ZINC000332282672 386968262 /nfs/dbraw/zinc/96/82/62/386968262.db2.gz YHQQWJBAZHKQTH-VHSXEESVSA-N 0 3 246.318 0.677 20 0 BCADHN CC(C)[C@@H](O)CN1CCCC[C@@H]1C(=N)NO ZINC000368390949 386968901 /nfs/dbraw/zinc/96/89/01/386968901.db2.gz CGIYDQWGWDHWFW-ZJUUUORDSA-N 0 3 229.324 0.814 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000358502687 386969372 /nfs/dbraw/zinc/96/93/72/386969372.db2.gz PHNHEYFAJKVGTG-GMTAPVOTSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@@](F)(CO)C1 ZINC000358521446 386970288 /nfs/dbraw/zinc/97/02/88/386970288.db2.gz OZPJQNGVLDVHIN-ONGXEEELSA-N 0 3 247.314 0.052 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000352939774 386970920 /nfs/dbraw/zinc/97/09/20/386970920.db2.gz FHRXPSUJWXRELF-NXEZZACHSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CC[C@@H](C)[C@@H]1CO ZINC000358516944 386970979 /nfs/dbraw/zinc/97/09/79/386970979.db2.gz IGNXNWBKGRWHDA-MXWKQRLJSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@H](O)CCNC(=O)N[C@@H](C)CN(C)C ZINC000358518190 386971053 /nfs/dbraw/zinc/97/10/53/386971053.db2.gz DCCHIEQBYLEDOC-IUCAKERBSA-N 0 3 217.313 0.007 20 0 BCADHN CO[C@@H]1CN(CCC(=O)NC(C)C)C[C@@H]1OC ZINC000331137438 386971102 /nfs/dbraw/zinc/97/11/02/386971102.db2.gz VZTSZMCJEAESNP-PHIMTYICSA-N 0 3 244.335 0.247 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCC(C)(C)CCO ZINC000358519048 386971204 /nfs/dbraw/zinc/97/12/04/386971204.db2.gz LDWLHGMBNXIIAH-JTQLQIEISA-N 0 3 245.367 0.644 20 0 BCADHN Cn1nc2c(c1NC(=O)[C@H]1CCN1)CCCC2 ZINC000638991357 386971346 /nfs/dbraw/zinc/97/13/46/386971346.db2.gz WPXHSNNWNXEIJR-SNVBAGLBSA-N 0 3 234.303 0.599 20 0 BCADHN C[C@@H](O)CCCNC(=O)N[C@@H](C)CN(C)C ZINC000358514897 386971397 /nfs/dbraw/zinc/97/13/97/386971397.db2.gz AKMLQOGGJRZNRV-VHSXEESVSA-N 0 3 231.340 0.397 20 0 BCADHN C[C@@]1(CO)CCC[C@@H]1NCC(=O)N1CCC1 ZINC000393767737 386972582 /nfs/dbraw/zinc/97/25/82/386972582.db2.gz CGXVBKCADVHNQD-JQWIXIFHSA-N 0 3 226.320 0.359 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCCCCO ZINC000358525352 386973432 /nfs/dbraw/zinc/97/34/32/386973432.db2.gz NWGXTALQKGJHKZ-VIFPVBQESA-N 0 3 217.313 0.008 20 0 BCADHN C[C@@]1(CNC(=O)C(N)C(F)(F)F)CCCO1 ZINC000352948525 386973454 /nfs/dbraw/zinc/97/34/54/386973454.db2.gz DVEJCZFEDNSWCN-XPUUQOCRSA-N 0 3 240.225 0.561 20 0 BCADHN C[C@]1(CNC(=O)C(N)C(F)(F)F)CCCO1 ZINC000352948519 386973623 /nfs/dbraw/zinc/97/36/23/386973623.db2.gz DVEJCZFEDNSWCN-HTRCEHHLSA-N 0 3 240.225 0.561 20 0 BCADHN CCCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000332356522 386973612 /nfs/dbraw/zinc/97/36/12/386973612.db2.gz IMEHZUAAEGTCOV-WDEREUQCSA-N 0 3 236.319 0.473 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCC(O)CC1 ZINC000358527006 386973848 /nfs/dbraw/zinc/97/38/48/386973848.db2.gz PJIJTQBIPNXJQH-VIFPVBQESA-N 0 3 229.324 0.103 20 0 BCADHN CC[C@H]1COCCN1C(=O)N[C@H](C)CN(C)C ZINC000358522347 386973949 /nfs/dbraw/zinc/97/39/49/386973949.db2.gz KHSAHNSHWLYOFX-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN CC[C@]1(C)CCCN(C(=O)[C@@H](CN)OC)C1 ZINC000352945483 386974293 /nfs/dbraw/zinc/97/42/93/386974293.db2.gz OXYDTJILTMLXGC-ZYHUDNBSSA-N 0 3 228.336 0.999 20 0 BCADHN COC[C@H](C)[N@@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000332377088 386974250 /nfs/dbraw/zinc/97/42/50/386974250.db2.gz FEAQSXHOVNMDOJ-DTWKUNHWSA-N 0 3 210.281 0.629 20 0 BCADHN COC[C@H](C)[N@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000332377088 386974255 /nfs/dbraw/zinc/97/42/55/386974255.db2.gz FEAQSXHOVNMDOJ-DTWKUNHWSA-N 0 3 210.281 0.629 20 0 BCADHN O[C@H]1CN(CC2=CCCOC2)CC12CC2 ZINC000334901057 386974338 /nfs/dbraw/zinc/97/43/38/386974338.db2.gz XOXCKVCNXNJWJN-NSHDSACASA-N 0 3 209.289 0.790 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(C)CCCCO ZINC000358523085 386974538 /nfs/dbraw/zinc/97/45/38/386974538.db2.gz SJHZHBLPOHVTGS-SNVBAGLBSA-N 0 3 231.340 0.350 20 0 BCADHN CN(C)CCNC(=O)[C@H]1C[C@@H]1c1cnn(C)c1 ZINC000368736480 387007929 /nfs/dbraw/zinc/00/79/29/387007929.db2.gz SDOLDQUZWITFNG-MNOVXSKESA-N 0 3 236.319 0.201 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)N[C@H](C)CN(C)C ZINC000358536845 386975867 /nfs/dbraw/zinc/97/58/67/386975867.db2.gz YVCNIKBYCLTOAH-NXEZZACHSA-N 0 3 231.340 0.349 20 0 BCADHN CC(C(=O)N[C@@H]1CC12CCCC2)S(C)(=O)=O ZINC000334903925 386977779 /nfs/dbraw/zinc/97/77/79/386977779.db2.gz MBBQCPNGPVMUHJ-RKDXNWHRSA-N 0 3 245.344 0.868 20 0 BCADHN C[C@@H](N)C(=O)N1CCOC[C@H]1c1ccco1 ZINC000368498198 386980391 /nfs/dbraw/zinc/98/03/91/386980391.db2.gz FUVFAGNGNLTNPC-BDAKNGLRSA-N 0 3 224.260 0.527 20 0 BCADHN CCOCCNC(=O)CN1CC[C@H](C)C1 ZINC000341879538 386981101 /nfs/dbraw/zinc/98/11/01/386981101.db2.gz UBJIFPDTGSUSFQ-JTQLQIEISA-N 0 3 214.309 0.481 20 0 BCADHN CC(C)[C@@H](CO)C(=O)N1CCN2CCC1CC2 ZINC000334912296 386986036 /nfs/dbraw/zinc/98/60/36/386986036.db2.gz CNHIBWDRLBRRNA-GFCCVEGCSA-N 0 3 240.347 0.558 20 0 BCADHN CC[C@H](NC(=O)[C@H](CC)N(C)C)[C@H](C)O ZINC000332491275 386986225 /nfs/dbraw/zinc/98/62/25/386986225.db2.gz FKSAMWFYJNVFLA-GUBZILKMSA-N 0 3 216.325 0.602 20 0 BCADHN CN(C[C@@H]1CCOC1)C(=O)C(N)C(F)(F)F ZINC000352998557 386986543 /nfs/dbraw/zinc/98/65/43/386986543.db2.gz GPZMOEKDFRUSQN-NKWVEPMBSA-N 0 3 240.225 0.371 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000368557059 386986918 /nfs/dbraw/zinc/98/69/18/386986918.db2.gz SDOLDQUZWITFNG-WDEREUQCSA-N 0 3 236.319 0.201 20 0 BCADHN CCCCN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891269 386987110 /nfs/dbraw/zinc/98/71/10/386987110.db2.gz MHKWHXACCUNEDS-VIFPVBQESA-N 0 3 220.338 0.410 20 0 BCADHN CN(C)CC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000368592157 386987988 /nfs/dbraw/zinc/98/79/88/386987988.db2.gz PMQFJOGHOPYBTP-QWRGUYRKSA-N 0 3 225.336 0.101 20 0 BCADHN CC[C@@H]1CN(C)CCN1C(=O)CN(C)C ZINC000519020744 386988123 /nfs/dbraw/zinc/98/81/23/386988123.db2.gz RLNJSELSCAOKSO-SNVBAGLBSA-N 0 3 213.325 0.101 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000368591484 386988547 /nfs/dbraw/zinc/98/85/47/386988547.db2.gz MLDRZMRHVQZGSF-MXWKQRLJSA-N 0 3 226.320 0.574 20 0 BCADHN CC(C)N(C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000368571453 386989947 /nfs/dbraw/zinc/98/99/47/386989947.db2.gz CAEYTDHJALWRON-LLVKDONJSA-N 0 3 225.336 0.243 20 0 BCADHN O=C1NCCN1CCN1CCC[C@@]12CCOC2 ZINC000368565265 386990039 /nfs/dbraw/zinc/99/00/39/386990039.db2.gz BYVHVCSWLXBKTE-LBPRGKRZSA-N 0 3 239.319 0.267 20 0 BCADHN CCN(CC)CC(=O)NC(C)(C)[C@@H](C)O ZINC000332525758 386990926 /nfs/dbraw/zinc/99/09/26/386990926.db2.gz VAHDMNDGIJVHRJ-SECBINFHSA-N 0 3 216.325 0.604 20 0 BCADHN CCO[C@H](C)C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000368594539 386992373 /nfs/dbraw/zinc/99/23/73/386992373.db2.gz RGWOEDVGNBLPTD-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H](O)C[C@H](C)NC(=O)C1CCN(C)CC1 ZINC000341919705 386993028 /nfs/dbraw/zinc/99/30/28/386993028.db2.gz COOJJFFPNGQQSG-VHSXEESVSA-N 0 3 228.336 0.604 20 0 BCADHN CCN(CC)C(=O)CN1C[C@H](CO)C[C@H](C)C1 ZINC000398788117 386993783 /nfs/dbraw/zinc/99/37/83/386993783.db2.gz FJKVUWAQCUQVTF-NWDGAFQWSA-N 0 3 242.363 0.805 20 0 BCADHN C[C@H]1CN(C(=O)NC[C@@H]2CCCN2C)CCN1 ZINC000334918476 386993918 /nfs/dbraw/zinc/99/39/18/386993918.db2.gz NWIHHVSUXLKNHA-QWRGUYRKSA-N 0 3 240.351 0.084 20 0 BCADHN CC[C@H](O)CC(=O)NCCN1CCCC1 ZINC000648098053 386994094 /nfs/dbraw/zinc/99/40/94/386994094.db2.gz OKXSZTVKHNCKQR-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN NC(C(=O)NCc1cccnc1)C(F)(F)F ZINC000353031663 386995065 /nfs/dbraw/zinc/99/50/65/386995065.db2.gz VKKQRQCQLGXTLF-ZETCQYMHSA-N 0 3 233.193 0.587 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(N)=O)C1 ZINC000332624950 386996106 /nfs/dbraw/zinc/99/61/06/386996106.db2.gz GYHCUZUPKNACCJ-UWVGGRQHSA-N 0 3 227.308 0.250 20 0 BCADHN CN(CCn1cccn1)[C@H]1CCC(=O)N(C)C1 ZINC000519068169 386997407 /nfs/dbraw/zinc/99/74/07/386997407.db2.gz QCUMATXWYBJWQL-NSHDSACASA-N 0 3 236.319 0.436 20 0 BCADHN C[C@H](O)CCCNC(=O)C12CCCN1CCC2 ZINC000368667932 387000501 /nfs/dbraw/zinc/00/05/01/387000501.db2.gz UMSAKBRYPQFUGN-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN CCS(=O)(=O)C1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000332674699 387000670 /nfs/dbraw/zinc/00/06/70/387000670.db2.gz CPRDZPFCPDWTGU-LPEHRKFASA-N 0 3 245.344 0.868 20 0 BCADHN CC[C@H](NC(=O)[C@@H](CN)OC)C1CCOCC1 ZINC000353032337 387000733 /nfs/dbraw/zinc/00/07/33/387000733.db2.gz VYNLPVZHKXSUEI-WDEREUQCSA-N 0 3 244.335 0.282 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N(C)C[C@H]2CCOC2)C1 ZINC000398819877 387000950 /nfs/dbraw/zinc/00/09/50/387000950.db2.gz CDIUBRDRPCZXLA-IJLUTSLNSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H](N)C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000161939833 387004561 /nfs/dbraw/zinc/00/45/61/387004561.db2.gz DDAYPEDCOXXXAB-IQJOONFLSA-N 0 3 214.309 0.391 20 0 BCADHN C[C@H]1CN(C(=O)NCCC(C)(C)O)[C@@H](C)CN1 ZINC000334929438 387004978 /nfs/dbraw/zinc/00/49/78/387004978.db2.gz JFBCMRZIUYUTKF-UWVGGRQHSA-N 0 3 243.351 0.539 20 0 BCADHN CC(C)OCCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418020220 387005157 /nfs/dbraw/zinc/00/51/57/387005157.db2.gz MQOUVWAFPXUQML-WDEREUQCSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCC(C)(C)O ZINC000334929439 387005227 /nfs/dbraw/zinc/00/52/27/387005227.db2.gz JFBCMRZIUYUTKF-VHSXEESVSA-N 0 3 243.351 0.539 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@@]2(C1)CCCOC2 ZINC000341978562 387006131 /nfs/dbraw/zinc/00/61/31/387006131.db2.gz AMQVEGHQFOHBEO-WCQYABFASA-N 0 3 238.331 0.768 20 0 BCADHN COc1nccc(CNC[C@](C)(O)C2CC2)n1 ZINC000395153143 386948580 /nfs/dbraw/zinc/94/85/80/386948580.db2.gz OWAJMEBCDHKHLJ-LBPRGKRZSA-N 0 3 237.303 0.736 20 0 BCADHN O=C(COCC1CC1)NC[C@@H]1C[C@H](F)CN1 ZINC000368194800 386949930 /nfs/dbraw/zinc/94/99/30/386949930.db2.gz SNTITBLUVOHLMK-UWVGGRQHSA-N 0 3 230.283 0.229 20 0 BCADHN COC(C)(C)CCN1CCCN(C(N)=O)CC1 ZINC000332057178 386951108 /nfs/dbraw/zinc/95/11/08/386951108.db2.gz XMPMHQWXZXYJDN-UHFFFAOYSA-N 0 3 243.351 0.888 20 0 BCADHN CO[C@H](C)CCN[C@@H]1CCCS(=O)(=O)C1 ZINC000336763692 387031407 /nfs/dbraw/zinc/03/14/07/387031407.db2.gz PCYOBWIKUOKTKT-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN Cn1cc(CN2CC[C@@H](c3nnc[nH]3)C2)cn1 ZINC000333375957 387031750 /nfs/dbraw/zinc/03/17/50/387031750.db2.gz ARSWPYYSPIJUOE-SNVBAGLBSA-N 0 3 232.291 0.528 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000353053337 387032793 /nfs/dbraw/zinc/03/27/93/387032793.db2.gz UEIDNHFHRJODFK-GHMZBOCLSA-N 0 3 244.335 0.234 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@H](c2nnc[nH]2)C1 ZINC000333397671 387033352 /nfs/dbraw/zinc/03/33/52/387033352.db2.gz FBIHHSDPVHHKNT-JTQLQIEISA-N 0 3 246.318 0.836 20 0 BCADHN CO[C@@H](CN1CCCC[C@H]1C(N)=O)C1CC1 ZINC000425383620 387033645 /nfs/dbraw/zinc/03/36/45/387033645.db2.gz LGUNPEXJHLDKAW-QWRGUYRKSA-N 0 3 226.320 0.751 20 0 BCADHN CS[C@H]1CC[C@@H]1NCC(=O)NC1CC1 ZINC000425382102 387033804 /nfs/dbraw/zinc/03/38/04/387033804.db2.gz NPTDXSKNJIQZGI-IUCAKERBSA-N 0 3 214.334 0.749 20 0 BCADHN C[C@@H](O)CCN1CCCC[C@H]1C(N)=O ZINC000425383400 387034004 /nfs/dbraw/zinc/03/40/04/387034004.db2.gz KXNQPOYBTIRCDX-BDAKNGLRSA-N 0 3 200.282 0.097 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCc1nccs1 ZINC000645534027 387034879 /nfs/dbraw/zinc/03/48/79/387034879.db2.gz FXTZYJDBQKPBLD-QMMMGPOBSA-N 0 3 225.317 0.757 20 0 BCADHN CSCCN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000369267568 387036402 /nfs/dbraw/zinc/03/64/02/387036402.db2.gz QUDKCRNMOBMNLB-VXGBXAGGSA-N 0 3 244.404 0.880 20 0 BCADHN Cc1c(CN2CC[C@H](c3nnc[nH]3)C2)cnn1C ZINC000333458417 387037504 /nfs/dbraw/zinc/03/75/04/387037504.db2.gz LAWDNOXENAOASL-JTQLQIEISA-N 0 3 246.318 0.836 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000398999086 387038054 /nfs/dbraw/zinc/03/80/54/387038054.db2.gz BQQNGLFRWOFPNB-GMSGAONNSA-N 0 3 228.292 0.182 20 0 BCADHN CC(C)C1(NC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000333491309 387039728 /nfs/dbraw/zinc/03/97/28/387039728.db2.gz GTTBVJLVOSQVGH-JTQLQIEISA-N 0 3 241.335 0.463 20 0 BCADHN CCC1(NC(=O)NC[C@H]2CNCCO2)CC1 ZINC000333514742 387040502 /nfs/dbraw/zinc/04/05/02/387040502.db2.gz JPRHULFCRADTIU-SECBINFHSA-N 0 3 227.308 0.217 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CCCN1C ZINC000334960704 387041320 /nfs/dbraw/zinc/04/13/20/387041320.db2.gz XFGGIWQHQNKIED-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN CC[C@H](N)C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000334962275 387042537 /nfs/dbraw/zinc/04/25/37/387042537.db2.gz URYYUBQEKQYESQ-STQMWFEESA-N 0 3 247.342 0.897 20 0 BCADHN Cn1cc(CNC2CCSCC2)nn1 ZINC000126778520 387046456 /nfs/dbraw/zinc/04/64/56/387046456.db2.gz MCGQDJOKPTYZML-UHFFFAOYSA-N 0 3 212.322 0.800 20 0 BCADHN C[C@@H](CO)CNC(=O)NC[C@H]1CCCN1C ZINC000333987827 387047967 /nfs/dbraw/zinc/04/79/67/387047967.db2.gz RZLFDSBBFCVGIP-NXEZZACHSA-N 0 3 229.324 0.008 20 0 BCADHN C[C@@H](CO)CNC(=O)NC[C@@H]1CCCN1C ZINC000333987828 387048279 /nfs/dbraw/zinc/04/82/79/387048279.db2.gz RZLFDSBBFCVGIP-ZJUUUORDSA-N 0 3 229.324 0.008 20 0 BCADHN CN(C[C@H]1CCOC1)C(=O)[C@H](N)C1CCC1 ZINC000399040474 387048352 /nfs/dbraw/zinc/04/83/52/387048352.db2.gz UKOUFXBSVVSRTH-MWLCHTKSSA-N 0 3 226.320 0.609 20 0 BCADHN COC[C@H](C)N[C@@H](COC)[C@@H]1CCCO1 ZINC000336764465 387048607 /nfs/dbraw/zinc/04/86/07/387048607.db2.gz QAFDFHAQGRHCTQ-DCAQKATOSA-N 0 3 217.309 0.805 20 0 BCADHN CCn1cc(NC(=O)[C@H](N)C2CCC2)cn1 ZINC000399047774 387049167 /nfs/dbraw/zinc/04/91/67/387049167.db2.gz TVWFNTVVGBIEAD-SNVBAGLBSA-N 0 3 222.292 0.969 20 0 BCADHN CCN(C)CCNC(=O)C1(OC)CCC1 ZINC000359046979 387049642 /nfs/dbraw/zinc/04/96/42/387049642.db2.gz YZOAUNUBRZKYBN-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)Cc1ccn[nH]1 ZINC000359202613 387067028 /nfs/dbraw/zinc/06/70/28/387067028.db2.gz CCPOOHDDTAUNIR-LLVKDONJSA-N 0 3 236.319 0.553 20 0 BCADHN O=C1OC[C@@H]2CN(C[C@H]3CCSC3)CCN12 ZINC000369486273 387051051 /nfs/dbraw/zinc/05/10/51/387051051.db2.gz VAKRGGIETVKWFW-ZJUUUORDSA-N 0 3 242.344 0.876 20 0 BCADHN N[C@@H](C(=O)N[C@H]1CCCC[C@@H]1O)C1CCC1 ZINC000399058421 387051161 /nfs/dbraw/zinc/05/11/61/387051161.db2.gz YBRUHCITMWSYIA-GARJFASQSA-N 0 3 226.320 0.534 20 0 BCADHN COC[C@@H](N[C@@H]1CCCN(C)C1=O)C(C)C ZINC000336764478 387051460 /nfs/dbraw/zinc/05/14/60/387051460.db2.gz NFTQEHBTNPBQOH-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H](CCS(C)(=O)=O)NCc1ccn(C)c1 ZINC000126745875 387051836 /nfs/dbraw/zinc/05/18/36/387051836.db2.gz QLGDFFLYLVULEC-SNVBAGLBSA-N 0 3 244.360 0.938 20 0 BCADHN C[C@@H](CO)CNC(=O)[C@H](C)N1CCCCCC1 ZINC000305230106 387052242 /nfs/dbraw/zinc/05/22/42/387052242.db2.gz XSARVIZASVQRNG-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H]1CN(CCO)C[C@@]2(CCCOC2)O1 ZINC000369538271 387052691 /nfs/dbraw/zinc/05/26/91/387052691.db2.gz YQPFRVYNFSYQJY-NWDGAFQWSA-N 0 3 229.320 0.639 20 0 BCADHN CCC[C@@H]1C[C@@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000333707919 387052620 /nfs/dbraw/zinc/05/26/20/387052620.db2.gz FCTQGAGGOINKIA-MXWKQRLJSA-N 0 3 241.335 0.463 20 0 BCADHN O=C([C@H]1CCCS1)N1CCCNCC1 ZINC000070544162 387067165 /nfs/dbraw/zinc/06/71/65/387067165.db2.gz DBKHVBJTCOJTHW-SECBINFHSA-N 0 3 214.334 0.704 20 0 BCADHN CC[C@H]1CN(CCCO)C[C@@]2(CCOC2)O1 ZINC000369556452 387056559 /nfs/dbraw/zinc/05/65/59/387056559.db2.gz MIKNPXFTBVKTBF-NWDGAFQWSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@H](C[C@H]1CCCO1)NC(=O)C(C)(C)N ZINC000157218015 387060858 /nfs/dbraw/zinc/06/08/58/387060858.db2.gz CANUPAAFXLMNPO-RKDXNWHRSA-N 0 3 214.309 0.798 20 0 BCADHN CN(C(=O)[C@@H](O)C1CCC1)C1CCN(C)CC1 ZINC000336221937 387062388 /nfs/dbraw/zinc/06/23/88/387062388.db2.gz BVJITKTWGHFXRB-LBPRGKRZSA-N 0 3 240.347 0.700 20 0 BCADHN O=C1N[C@H]2CN(CC3CC3)CC[C@@H]2CO1 ZINC000369705534 387063516 /nfs/dbraw/zinc/06/35/16/387063516.db2.gz YYJMHKPCUSRSAV-ZJUUUORDSA-N 0 3 210.277 0.827 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)C[C@H]1CCCC[C@H]1O ZINC000331297687 387009056 /nfs/dbraw/zinc/00/90/56/387009056.db2.gz DCZJOZBZDZLVQS-JHJVBQTASA-N 0 3 243.347 0.809 20 0 BCADHN CCOCC[C@H](O)CN1CCC(C)(O)CC1 ZINC000331304029 387010124 /nfs/dbraw/zinc/01/01/24/387010124.db2.gz TYCUMORGAHYXFB-NSHDSACASA-N 0 3 231.336 0.621 20 0 BCADHN C[C@H](CO)CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000331307306 387011580 /nfs/dbraw/zinc/01/15/80/387011580.db2.gz FGSDLJUFLDSTAM-HBNTYKKESA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](CO)[C@H](C)NCC(=O)NCc1ccco1 ZINC000358789184 387013558 /nfs/dbraw/zinc/01/35/58/387013558.db2.gz HLMGTJMOJCHGCM-ZJUUUORDSA-N 0 3 240.303 0.502 20 0 BCADHN C[C@@H](CO)[C@H](C)NCC(=O)NCc1ccco1 ZINC000358789182 387014204 /nfs/dbraw/zinc/01/42/04/387014204.db2.gz HLMGTJMOJCHGCM-UWVGGRQHSA-N 0 3 240.303 0.502 20 0 BCADHN O=C(CN1CC[C@@H](O)C12CCCC2)NC1CC1 ZINC000333043871 387014640 /nfs/dbraw/zinc/01/46/40/387014640.db2.gz OZLVUCQFVWXODU-LLVKDONJSA-N 0 3 238.331 0.644 20 0 BCADHN Cc1nc([C@@H]2CCCCN2C(=O)[C@H](C)N)no1 ZINC000648021804 387016490 /nfs/dbraw/zinc/01/64/90/387016490.db2.gz LPJKGXGXPHMGKL-CBAPKCEASA-N 0 3 238.291 0.779 20 0 BCADHN Cc1cnccc1CN(C[C@@H](O)CO)C(C)C ZINC000519135746 387016744 /nfs/dbraw/zinc/01/67/44/387016744.db2.gz ACAKOQQXJRSVSN-CYBMUJFWSA-N 0 3 238.331 0.954 20 0 BCADHN CC[C@]1(CO)CCCN(C[C@@](C)(O)C(C)=O)C1 ZINC000331349316 387018554 /nfs/dbraw/zinc/01/85/54/387018554.db2.gz XTLJTEHDSASKGP-OLZOCXBDSA-N 0 3 243.347 0.811 20 0 BCADHN CCOC1(C)CN(C[C@H](O)CN(C)C2CC2)C1 ZINC000398925576 387020264 /nfs/dbraw/zinc/02/02/64/387020264.db2.gz WFYDQXAIUGUMJS-GFCCVEGCSA-N 0 3 242.363 0.552 20 0 BCADHN Cc1cc(C[C@@H](C)NC(=O)C2(N)CCC2)[nH]n1 ZINC000519151330 387022684 /nfs/dbraw/zinc/02/26/84/387022684.db2.gz RPNXNGKGIXGDLE-MRVPVSSYSA-N 0 3 236.319 0.647 20 0 BCADHN COC(=O)CCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368976576 387022741 /nfs/dbraw/zinc/02/27/41/387022741.db2.gz XKDBRJZJHHQVKA-QXEWZRGKSA-N 0 3 240.303 0.135 20 0 BCADHN CC(C)N(CC(=O)NC1CC1)C[C@H](C)O ZINC000303988459 387025416 /nfs/dbraw/zinc/02/54/16/387025416.db2.gz KAOVRPZDHBEAFY-VIFPVBQESA-N 0 3 214.309 0.356 20 0 BCADHN CCN(C(=O)C1CCN(C)CC1)[C@@H](C)CO ZINC000358861887 387026111 /nfs/dbraw/zinc/02/61/11/387026111.db2.gz YZPKVMZVJRHKAX-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN COC1CC(N(C)CCN2C(=O)CCC2=O)C1 ZINC000352202414 387026655 /nfs/dbraw/zinc/02/66/55/387026655.db2.gz JVMZRSDUTFMCHB-UHFFFAOYSA-N 0 3 240.303 0.245 20 0 BCADHN COC(=O)CNC(=O)[C@H]1CCCN1CC(C)C ZINC000418117162 387027468 /nfs/dbraw/zinc/02/74/68/387027468.db2.gz BULVXPMEWNZIOD-SNVBAGLBSA-N 0 3 242.319 0.396 20 0 BCADHN CSC[C@H](O)CN1CCC[C@H]2OCC[C@H]21 ZINC000369784741 387068652 /nfs/dbraw/zinc/06/86/52/387068652.db2.gz QNYRLGAYSIEQSL-GMTAPVOTSA-N 0 3 231.361 0.964 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)[nH]n1 ZINC000070559586 387068881 /nfs/dbraw/zinc/06/88/81/387068881.db2.gz RBIJHZNRPPPKCB-DTORHVGOSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)n[nH]1 ZINC000070559586 387068883 /nfs/dbraw/zinc/06/88/83/387068883.db2.gz RBIJHZNRPPPKCB-DTORHVGOSA-N 0 3 222.292 0.541 20 0 BCADHN CCCC(=O)NCCCN1CCC(O)CC1 ZINC000118721806 387070492 /nfs/dbraw/zinc/07/04/92/387070492.db2.gz KKPKBLMLXZLEKI-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000085541733 387071337 /nfs/dbraw/zinc/07/13/37/387071337.db2.gz QCFBNUWHGXAAHC-ZNSHCXBVSA-N 0 3 226.320 0.750 20 0 BCADHN CCC[C@](C)(N)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000085541775 387072265 /nfs/dbraw/zinc/07/22/65/387072265.db2.gz QCCVCDKBUXEPHN-UMNHJUIQSA-N 0 3 226.320 0.894 20 0 BCADHN CS[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC000336237009 387072512 /nfs/dbraw/zinc/07/25/12/387072512.db2.gz DWYLTJVVEZWMTQ-HTQZYQBOSA-N 0 3 200.307 0.312 20 0 BCADHN CS[C@H]1CCN(C[C@@H]2COCCO2)C1 ZINC000336236950 387073167 /nfs/dbraw/zinc/07/31/67/387073167.db2.gz AFDGTDGTOTVUBF-ZJUUUORDSA-N 0 3 217.334 0.839 20 0 BCADHN CC[C@@H](C(=O)NC(C)(C)C(N)=O)N(CC)CC ZINC000359254466 387073884 /nfs/dbraw/zinc/07/38/84/387073884.db2.gz BTLUEMGYWNAYBY-VIFPVBQESA-N 0 3 243.351 0.487 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1CCCC[C@@H]1O ZINC000333900906 387074763 /nfs/dbraw/zinc/07/47/63/387074763.db2.gz SSWYJYPFTJNKBY-VPOLOUISSA-N 0 3 215.293 0.293 20 0 BCADHN CCOC[C@H](C)NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418044984 387074735 /nfs/dbraw/zinc/07/47/35/387074735.db2.gz NUHCTQVTBPIYEJ-DCAQKATOSA-N 0 3 243.351 0.803 20 0 BCADHN CCOC[C@H](C)NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418046194 387074935 /nfs/dbraw/zinc/07/49/35/387074935.db2.gz QBTBISSICOPNEH-GARJFASQSA-N 0 3 243.351 0.803 20 0 BCADHN Cc1csc(S(=O)(=O)[N-][C@H](C)C[NH3+])c1 ZINC000334987843 387075337 /nfs/dbraw/zinc/07/53/37/387075337.db2.gz PMKYIARCJRODBJ-SSDOTTSWSA-N 0 3 234.346 0.682 20 0 BCADHN COCCNCCNC(=O)N[C@@H]1CC[C@H](C)C1 ZINC000418044297 387075622 /nfs/dbraw/zinc/07/56/22/387075622.db2.gz ATDBTZRINVYDAJ-WDEREUQCSA-N 0 3 243.351 0.710 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228101345 387075791 /nfs/dbraw/zinc/07/57/91/387075791.db2.gz FFAXHHURSYSOBE-LMLFDSFASA-N 0 3 226.320 0.166 20 0 BCADHN CN(C[C@H]1CCCO1)[C@@]1(CO)CCOC1 ZINC000359594878 387130447 /nfs/dbraw/zinc/13/04/47/387130447.db2.gz FEEJCLZMZZIXRN-GHMZBOCLSA-N 0 3 215.293 0.249 20 0 BCADHN Cn1cncc1CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228112773 387076986 /nfs/dbraw/zinc/07/69/86/387076986.db2.gz RBHAHDPCCQZYEW-MVWJERBFSA-N 0 3 221.304 0.623 20 0 BCADHN C[C@@H]1CN(Cc2cccnc2)[C@H](C)CN1CCO ZINC000418121206 387077349 /nfs/dbraw/zinc/07/73/49/387077349.db2.gz WZQUUWKSPLYHIC-CHWSQXEVSA-N 0 3 249.358 0.969 20 0 BCADHN O=C(CO)N1CCC[C@H]1CN1CCCCC1 ZINC000336242838 387079408 /nfs/dbraw/zinc/07/94/08/387079408.db2.gz BBFIMEHPYRDIOV-NSHDSACASA-N 0 3 226.320 0.456 20 0 BCADHN CCCC[C@H](N)C(=O)NCc1noc(C)n1 ZINC000228327388 387081680 /nfs/dbraw/zinc/08/16/80/387081680.db2.gz SNJBGQPXZFKZOZ-QMMMGPOBSA-N 0 3 226.280 0.512 20 0 BCADHN CCCC[C@H](N)C(=O)NCCc1nc(C)no1 ZINC000228326363 387081928 /nfs/dbraw/zinc/08/19/28/387081928.db2.gz TWQITZDIUGYCHE-VIFPVBQESA-N 0 3 240.307 0.554 20 0 BCADHN CC[C@H](C(=O)N1CCN2CCC1CC2)[C@H](C)O ZINC000334992945 387083024 /nfs/dbraw/zinc/08/30/24/387083024.db2.gz RZEAFVIEIDVQLN-JQWIXIFHSA-N 0 3 240.347 0.700 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H]1C[C@]12CCOC2 ZINC000359332144 387084850 /nfs/dbraw/zinc/08/48/50/387084850.db2.gz ODYKDFFXGTWKFM-PWSUYJOCSA-N 0 3 226.320 0.433 20 0 BCADHN O=S(=O)(N[C@@H]1CCCNC1)c1cccnc1 ZINC000070950062 387084795 /nfs/dbraw/zinc/08/47/95/387084795.db2.gz YYLBFDZHRDLHQD-SECBINFHSA-N 0 3 241.316 0.112 20 0 BCADHN C(N[C@H]1CCOC1)[C@@H]1CN(C2CC2)CCO1 ZINC000228279603 387085337 /nfs/dbraw/zinc/08/53/37/387085337.db2.gz LQAUSGAGVXJACU-CMPLNLGQSA-N 0 3 226.320 0.228 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCOC1 ZINC000334995704 387085738 /nfs/dbraw/zinc/08/57/38/387085738.db2.gz FBJHOXBBJPJAAT-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN COCC[C@H](C)NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000417426501 387087014 /nfs/dbraw/zinc/08/70/14/387087014.db2.gz NRSWJPKNNWRXKR-DCAQKATOSA-N 0 3 243.351 0.803 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](CO)CC1CCC1)N(C)C ZINC000359340916 387087543 /nfs/dbraw/zinc/08/75/43/387087543.db2.gz MGAXKMCTNLNSOE-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CCC(C)(C)CNC(=O)NCCNCCOC ZINC000418083358 387092105 /nfs/dbraw/zinc/09/21/05/387092105.db2.gz ZRXOHPLSHKUJIW-UHFFFAOYSA-N 0 3 245.367 0.958 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCCO1 ZINC000066959356 387092842 /nfs/dbraw/zinc/09/28/42/387092842.db2.gz JIWHSSPJRVZTKV-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN COCCOCCCCNCc1cc[nH]n1 ZINC000066991452 387093078 /nfs/dbraw/zinc/09/30/78/387093078.db2.gz UTCAESWVZZYYBJ-UHFFFAOYSA-N 0 3 227.308 0.943 20 0 BCADHN CC1CCN(CCNC(=O)[C@@H]2CCOC2)CC1 ZINC000066917060 387093526 /nfs/dbraw/zinc/09/35/26/387093526.db2.gz XVALOSWFDOWHIV-GFCCVEGCSA-N 0 3 240.347 0.871 20 0 BCADHN CCCCN(C)CC(=O)NCCC(=O)OC ZINC000066861779 387093588 /nfs/dbraw/zinc/09/35/88/387093588.db2.gz NXCFNRDJWHXSLS-UHFFFAOYSA-N 0 3 230.308 0.398 20 0 BCADHN CCCC[C@@H](N)C(=O)NC[C@H](O)C(F)(F)F ZINC000228450036 387094419 /nfs/dbraw/zinc/09/44/19/387094419.db2.gz JJUVEKDCPZDPHS-RQJHMYQMSA-N 0 3 242.241 0.543 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H](OC)C(C)C ZINC000336765957 387097958 /nfs/dbraw/zinc/09/79/58/387097958.db2.gz ROROVWVFUPAMHC-RKDXNWHRSA-N 0 3 202.298 0.511 20 0 BCADHN CCN(CC)CC(=O)NCc1ccnn1C ZINC000068064020 387100416 /nfs/dbraw/zinc/10/04/16/387100416.db2.gz QHJKQAWCYPOLOI-UHFFFAOYSA-N 0 3 224.308 0.378 20 0 BCADHN NCC(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000335007412 387101293 /nfs/dbraw/zinc/10/12/93/387101293.db2.gz NAFDJJDDSONJDD-UHFFFAOYSA-N 0 3 226.226 0.808 20 0 BCADHN CCCN1CCN(C(=O)[C@@H](C)N)C(C)(C)C1=O ZINC000335011061 387106319 /nfs/dbraw/zinc/10/63/19/387106319.db2.gz GDRIOBCLPUZNQZ-SECBINFHSA-N 0 3 241.335 0.193 20 0 BCADHN CC(C)COCCN1C[C@@H](O)C[C@H]1CO ZINC000370295341 387106383 /nfs/dbraw/zinc/10/63/83/387106383.db2.gz CRGIJKPEQQLMMG-QWRGUYRKSA-N 0 3 217.309 0.087 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)[NH3+])o1 ZINC000335011208 387106796 /nfs/dbraw/zinc/10/67/96/387106796.db2.gz UWBUKVPDKLWANR-YUMQZZPRSA-N 0 3 232.305 0.602 20 0 BCADHN CCN(C)C(=O)CCN1CCC[C@H]2COC[C@H]21 ZINC000370295500 387107844 /nfs/dbraw/zinc/10/78/44/387107844.db2.gz DEDBMRYPIBJPBW-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN O=C(N[C@@H]1C[C@H]1C1CC1)N1CCCNCC1 ZINC000334946346 387108709 /nfs/dbraw/zinc/10/87/09/387108709.db2.gz VXTWEHZEUKJYKB-WDEREUQCSA-N 0 3 223.320 0.790 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](C)C1 ZINC000069039665 387110746 /nfs/dbraw/zinc/11/07/46/387110746.db2.gz LJKXJEWKQWSHHO-VHSXEESVSA-N 0 3 241.335 0.953 20 0 BCADHN CCOC(=O)[C@@H]1CCCN(C[C@H](O)COC)C1 ZINC000069053754 387112755 /nfs/dbraw/zinc/11/27/55/387112755.db2.gz NHBANGMTQVHPTB-MNOVXSKESA-N 0 3 245.319 0.269 20 0 BCADHN CCN(CCNC(=O)[C@](C)(O)C(C)C)C1CC1 ZINC000353085734 387113434 /nfs/dbraw/zinc/11/34/34/387113434.db2.gz LRAFXZONDRJLBH-CYBMUJFWSA-N 0 3 242.363 0.994 20 0 BCADHN CCOC(=O)[C@H]1CCCN(C[C@H](O)COC)C1 ZINC000069053755 387113574 /nfs/dbraw/zinc/11/35/74/387113574.db2.gz NHBANGMTQVHPTB-QWRGUYRKSA-N 0 3 245.319 0.269 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)NC1CCC1 ZINC000228790566 387115331 /nfs/dbraw/zinc/11/53/31/387115331.db2.gz VFWRVDFTZLVCSJ-LLVKDONJSA-N 0 3 229.324 0.151 20 0 BCADHN CS(=O)(=O)N1CCCN(CCC2CC2)CC1 ZINC000335025613 387116820 /nfs/dbraw/zinc/11/68/20/387116820.db2.gz XGHBKAWTARIASZ-UHFFFAOYSA-N 0 3 246.376 0.754 20 0 BCADHN CC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000370426520 387116812 /nfs/dbraw/zinc/11/68/12/387116812.db2.gz YJDHWHAWCWOILH-CYBMUJFWSA-N 0 3 239.363 0.633 20 0 BCADHN CN(C[C@@H]1CCC[C@H]1O)C(=O)C1(N)CCC1 ZINC000335026360 387119114 /nfs/dbraw/zinc/11/91/14/387119114.db2.gz ZLJFCGORNPYIJI-VHSXEESVSA-N 0 3 226.320 0.487 20 0 BCADHN CC(C)(C)[C@@H]1CCN(C(=O)CN)C[C@H]1O ZINC000335027102 387120206 /nfs/dbraw/zinc/12/02/06/387120206.db2.gz OKNHWTQTRSRNAF-RKDXNWHRSA-N 0 3 214.309 0.201 20 0 BCADHN CC[C@]1(C)CN(C(=O)C(C)(C)N)CCO1 ZINC000336290206 387121765 /nfs/dbraw/zinc/12/17/65/387121765.db2.gz QCOOFOCWJKHSFH-LLVKDONJSA-N 0 3 214.309 0.751 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)[C@H]1CCOC1 ZINC000186757316 387132254 /nfs/dbraw/zinc/13/22/54/387132254.db2.gz GTJLMHRNJRMGIT-JTQLQIEISA-N 0 3 226.320 0.576 20 0 BCADHN CCc1noc(CN2CCNC[C@@](C)(F)C2)n1 ZINC000647981881 387123103 /nfs/dbraw/zinc/12/31/03/387123103.db2.gz RSDVQBDCWULWCD-LLVKDONJSA-N 0 3 242.298 0.765 20 0 BCADHN CCN(CCO)C(=O)C12CCCN1CCC2 ZINC000370542856 387124213 /nfs/dbraw/zinc/12/42/13/387124213.db2.gz VEFIYRPMPMOHMT-UHFFFAOYSA-N 0 3 226.320 0.456 20 0 BCADHN COC[C@@H](C)CC(=O)NC[C@](C)(O)CN(C)C ZINC000228757411 387124471 /nfs/dbraw/zinc/12/44/71/387124471.db2.gz JYIUGWVFWHNIME-JQWIXIFHSA-N 0 3 246.351 0.088 20 0 BCADHN CN(CCOC(C)(C)C)[C@@]1(CO)CCOC1 ZINC000359577725 387125132 /nfs/dbraw/zinc/12/51/32/387125132.db2.gz QREGZUYIYICDEM-GFCCVEGCSA-N 0 3 231.336 0.885 20 0 BCADHN CC(C)[C@](C)(CO)NCc1ccnn1C ZINC000336766913 387125731 /nfs/dbraw/zinc/12/57/31/387125731.db2.gz SMJOFMHVRYYDDB-NSHDSACASA-N 0 3 211.309 0.917 20 0 BCADHN C[C@@H]1[C@@H](C)N(C[C@@H](O)C(F)(F)F)CCN1C ZINC000359568066 387126546 /nfs/dbraw/zinc/12/65/46/387126546.db2.gz BBAXLXRFFYSNHN-IWSPIJDZSA-N 0 3 240.269 0.934 20 0 BCADHN C[C@@H]1[C@@H](C)N(C[C@H](O)C(F)(F)F)CCN1C ZINC000359568062 387126953 /nfs/dbraw/zinc/12/69/53/387126953.db2.gz BBAXLXRFFYSNHN-HLTSFMKQSA-N 0 3 240.269 0.934 20 0 BCADHN Cc1cnn(C)c1CN[C@@H](CO)C(C)C ZINC000336766932 387127105 /nfs/dbraw/zinc/12/71/05/387127105.db2.gz SOOPQEMWJPUJSX-JTQLQIEISA-N 0 3 211.309 0.835 20 0 BCADHN CN(C)CCN(C)C(=O)C[C@@H]1CCOC1 ZINC000359583676 387128649 /nfs/dbraw/zinc/12/86/49/387128649.db2.gz IPHRFDGESHJUQS-JTQLQIEISA-N 0 3 214.309 0.433 20 0 BCADHN C[C@H](F)CCN1CC[C@@H]2[C@@H](C1)NC(=O)N2C ZINC000352377081 387129204 /nfs/dbraw/zinc/12/92/04/387129204.db2.gz WTIDXTPOGSSIPR-IVZWLZJFSA-N 0 3 229.299 0.832 20 0 BCADHN O=C1NCCN1[C@H]1CCCN(CCCF)C1 ZINC000370620807 387129848 /nfs/dbraw/zinc/12/98/48/387129848.db2.gz XUNPHXINXYEKSJ-JTQLQIEISA-N 0 3 229.299 0.836 20 0 BCADHN C[C@@]1(C(=O)NCCN2CCCC2)C[C@H]1F ZINC000424560173 387141559 /nfs/dbraw/zinc/14/15/59/387141559.db2.gz LSNBZWMWYDLHNV-MWLCHTKSSA-N 0 3 214.284 0.947 20 0 BCADHN CC[C@@H](CNC(=O)N[C@H](C)CN(C)C)OC ZINC000359657599 387141984 /nfs/dbraw/zinc/14/19/84/387141984.db2.gz HINGZVMRQMJJBL-ZJUUUORDSA-N 0 3 231.340 0.661 20 0 BCADHN COCc1noc([C@@H]2CN(C)C[C@@H]2C)n1 ZINC000359921725 387192308 /nfs/dbraw/zinc/19/23/08/387192308.db2.gz DLUDGBXCRATFOW-JGVFFNPUSA-N 0 3 211.265 0.881 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1CCCC[C@H]1OC ZINC000353150191 387144508 /nfs/dbraw/zinc/14/45/08/387144508.db2.gz NGGPPRPPZPCRJJ-IVZWLZJFSA-N 0 3 230.308 0.034 20 0 BCADHN O=C1NC[C@H](CN2C[C@H]3CCC[C@@H](C2)C3O)O1 ZINC000371061724 387145077 /nfs/dbraw/zinc/14/50/77/387145077.db2.gz GUWYRMIVTTWPPI-GZBOUJLJSA-N 0 3 240.303 0.188 20 0 BCADHN O=C(C[C@H]1CSCCN1)NC1CC1 ZINC000085612429 387147234 /nfs/dbraw/zinc/14/72/34/387147234.db2.gz NJQDWVVWMJFHNG-QMMMGPOBSA-N 0 3 200.307 0.360 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccnn1CC(C)C ZINC000353158833 387147430 /nfs/dbraw/zinc/14/74/30/387147430.db2.gz ZSIHTHUXZDHXFM-VIFPVBQESA-N 0 3 240.307 0.451 20 0 BCADHN CO[C@H](CN)C(=O)NCc1cc(F)cc(F)c1 ZINC000353166760 387147669 /nfs/dbraw/zinc/14/76/69/387147669.db2.gz KKLLQRDXXBTGNI-SNVBAGLBSA-N 0 3 244.241 0.555 20 0 BCADHN Cn1cccc1CNC[C@H]1CC[C@@H](CO)O1 ZINC000292792519 387147815 /nfs/dbraw/zinc/14/78/15/387147815.db2.gz UXCWVDWLQNEWNT-NEPJUHHUSA-N 0 3 224.304 0.655 20 0 BCADHN CN(C)CC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000359692689 387149024 /nfs/dbraw/zinc/14/90/24/387149024.db2.gz ZDIILGWZITVXSQ-NSHDSACASA-N 0 3 245.392 0.102 20 0 BCADHN CO[C@H]1C[C@@H](N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC000571700609 387149168 /nfs/dbraw/zinc/14/91/68/387149168.db2.gz WBTXBCXTFWDDRH-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN NCC(F)(F)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000571696250 387149257 /nfs/dbraw/zinc/14/92/57/387149257.db2.gz UHKLBMPOSVPTKE-DTORHVGOSA-N 0 3 247.289 0.323 20 0 BCADHN CO[C@H]1C[C@@H](N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC000571700611 387150149 /nfs/dbraw/zinc/15/01/49/387150149.db2.gz WBTXBCXTFWDDRH-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000085620161 387150289 /nfs/dbraw/zinc/15/02/89/387150289.db2.gz KTDRMXQTRYBEBL-MXWKQRLJSA-N 0 3 226.320 0.670 20 0 BCADHN CC[C@H](C(=O)NC[C@H](CC)OC)N(C)C ZINC000359701212 387150476 /nfs/dbraw/zinc/15/04/76/387150476.db2.gz SQTMFKGEQKXUMY-VHSXEESVSA-N 0 3 216.325 0.868 20 0 BCADHN CC[C@@H](C(N)=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000393288612 387153408 /nfs/dbraw/zinc/15/34/08/387153408.db2.gz QDHJPTGBYWBUJM-XQQFMLRXSA-N 0 3 247.342 0.677 20 0 BCADHN COCC[C@H](C)NC(=O)C[C@H]1CSCCN1 ZINC000085614739 387161266 /nfs/dbraw/zinc/16/12/66/387161266.db2.gz MQMCMBUEJAVPOR-UWVGGRQHSA-N 0 3 246.376 0.623 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCC(C)(C)O ZINC000571759554 387161509 /nfs/dbraw/zinc/16/15/09/387161509.db2.gz XHEIFSHQUQXTKX-RKDXNWHRSA-N 0 3 203.282 0.151 20 0 BCADHN CCOC(=O)COCCN1CC[C@@H](O)[C@@H](C)C1 ZINC000229393804 387167391 /nfs/dbraw/zinc/16/73/91/387167391.db2.gz PHIJYCHODFGMIQ-WDEREUQCSA-N 0 3 245.319 0.269 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H]1CCC(=O)N(C)C1=O ZINC000229381978 387168278 /nfs/dbraw/zinc/16/82/78/387168278.db2.gz IJVVRRFNJPNRAM-DJLDLDEBSA-N 0 3 228.292 0.147 20 0 BCADHN Cn1nncc1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000371328166 387193386 /nfs/dbraw/zinc/19/33/86/387193386.db2.gz SMTUCXAQMLKBQF-GHMZBOCLSA-N 0 3 236.319 0.674 20 0 BCADHN C[C@H](Cn1cncn1)N[C@H](C)c1cn[nH]c1 ZINC000284269160 387169630 /nfs/dbraw/zinc/16/96/30/387169630.db2.gz WSXXFRHFYYQSRI-RKDXNWHRSA-N 0 3 220.280 0.741 20 0 BCADHN C[C@H](Cn1cncn1)N[C@@H](C)c1cn[nH]c1 ZINC000284269147 387169960 /nfs/dbraw/zinc/16/99/60/387169960.db2.gz WSXXFRHFYYQSRI-BDAKNGLRSA-N 0 3 220.280 0.741 20 0 BCADHN NS(=O)(=O)CCCN1CCC2(CC2)CC1 ZINC000371203406 387172679 /nfs/dbraw/zinc/17/26/79/387172679.db2.gz ASOKJMKAQQHNFG-UHFFFAOYSA-N 0 3 232.349 0.541 20 0 BCADHN C[C@H]1CN(C(=O)c2coc(CN)c2)C[C@H](C)N1 ZINC000187178092 387173808 /nfs/dbraw/zinc/17/38/08/387173808.db2.gz VBCIPSUFXCYKDU-IUCAKERBSA-N 0 3 237.303 0.561 20 0 BCADHN CCN(C)C(=O)CCN1CCCOCC1 ZINC000371223848 387177751 /nfs/dbraw/zinc/17/77/51/387177751.db2.gz SRKHUJCUVHZPNH-UHFFFAOYSA-N 0 3 214.309 0.577 20 0 BCADHN CN(CC1(O)CCCCCC1)[C@H]1CCNC1=O ZINC000187360166 387180679 /nfs/dbraw/zinc/18/06/79/387180679.db2.gz XKYKGGBUXAHUJT-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN CC(C)c1ncc2c(n1)CN(C(=O)[C@H](C)N)CC2 ZINC000371252691 387181460 /nfs/dbraw/zinc/18/14/60/387181460.db2.gz DZSAIAYGMWWTSM-VIFPVBQESA-N 0 3 248.330 0.832 20 0 BCADHN C[C@H](CNC(=O)[C@]1(C)C[C@@H]1F)N(C)C ZINC000424585269 387193869 /nfs/dbraw/zinc/19/38/69/387193869.db2.gz QXNCKEWCSCIPHN-KHQFGBGNSA-N 0 3 202.273 0.801 20 0 BCADHN Cc1ccc(CN(CCO)CCCO)c(C)n1 ZINC000359887325 387184494 /nfs/dbraw/zinc/18/44/94/387184494.db2.gz ORWPZARMWQHGME-UHFFFAOYSA-N 0 3 238.331 0.875 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000229587475 387185284 /nfs/dbraw/zinc/18/52/84/387185284.db2.gz HEPPSUMYWXYCPG-WCQGTBRESA-N 0 3 240.347 0.868 20 0 BCADHN CS(=O)(=O)NCCN1CC[C@H](C2CC2)C1 ZINC000371307691 387188672 /nfs/dbraw/zinc/18/86/72/387188672.db2.gz HFWKECQDVFRURO-JTQLQIEISA-N 0 3 232.349 0.268 20 0 BCADHN COCCN(C)CCCNC(=O)[C@@]1(C)C[C@H]1F ZINC000424583595 387189206 /nfs/dbraw/zinc/18/92/06/387189206.db2.gz MBITZWDKIITTND-PWSUYJOCSA-N 0 3 246.326 0.819 20 0 BCADHN CCN(CCNC(=O)[C@@H](O)C(C)C)C1CC1 ZINC000352429541 387190687 /nfs/dbraw/zinc/19/06/87/387190687.db2.gz YNFQMBHCCNPDJY-NSHDSACASA-N 0 3 228.336 0.604 20 0 BCADHN Cc1cccc(S(=O)(=O)NC2CNC2)c1F ZINC000193174626 387133917 /nfs/dbraw/zinc/13/39/17/387133917.db2.gz QQMJJNWSADCLFM-UHFFFAOYSA-N 0 3 244.291 0.384 20 0 BCADHN CN(CC1(CO)CC1)[C@H]1CCCCNC1=O ZINC000186780908 387135276 /nfs/dbraw/zinc/13/52/76/387135276.db2.gz ZCVIQTPEDRZXNS-JTQLQIEISA-N 0 3 226.320 0.359 20 0 BCADHN CN(CCN(C)C1CC1)Cc1ncnn1C ZINC000186778063 387135400 /nfs/dbraw/zinc/13/54/00/387135400.db2.gz AFUYRBHXIDNNCC-UHFFFAOYSA-N 0 3 223.324 0.341 20 0 BCADHN C[C@@H]1Oc2c(cccc2F)[C@H]1NC(=O)CN ZINC000370699872 387136149 /nfs/dbraw/zinc/13/61/49/387136149.db2.gz CPQUNKKQJYRCTE-WKEGUHRASA-N 0 3 224.235 0.723 20 0 BCADHN CC(C)(C)CN1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000370714772 387137199 /nfs/dbraw/zinc/13/71/99/387137199.db2.gz CUODNEPZUKNVDS-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN COC1(C(=O)NCCNc2ccncc2)CCC1 ZINC000359630126 387138781 /nfs/dbraw/zinc/13/87/81/387138781.db2.gz XNVMUJMWKUHVOK-UHFFFAOYSA-N 0 3 249.314 0.601 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](CO)C1CCCC1)N(C)C ZINC000359645106 387140856 /nfs/dbraw/zinc/14/08/56/387140856.db2.gz ZJZPZPLBOHFMGD-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN Cn1nncc1CN1CCN2CCCC[C@H]2C1 ZINC000371419630 387207823 /nfs/dbraw/zinc/20/78/23/387207823.db2.gz OAHPWCWLONMDAE-NSHDSACASA-N 0 3 235.335 0.485 20 0 BCADHN CN(CCN1CCCC1=O)C1CC(O)C1 ZINC000353474766 387210784 /nfs/dbraw/zinc/21/07/84/387210784.db2.gz WIOUGSAGFYYZTH-UHFFFAOYSA-N 0 3 212.293 0.064 20 0 BCADHN COCCCCN1CCN(CCO)[C@H](C)C1 ZINC000187648194 387211994 /nfs/dbraw/zinc/21/19/94/387211994.db2.gz YYIDUGLRIDGWHS-GFCCVEGCSA-N 0 3 230.352 0.411 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCCO2)CCN1CCO ZINC000187651589 387213559 /nfs/dbraw/zinc/21/35/59/387213559.db2.gz LWDCRXKNEPMUAS-NEPJUHHUSA-N 0 3 228.336 0.164 20 0 BCADHN CCC[C@@H](NC(=O)[C@@H](C)NC)C(=O)OC ZINC000572016527 387214172 /nfs/dbraw/zinc/21/41/72/387214172.db2.gz XJSRDELNYPQMNP-HTQZYQBOSA-N 0 3 216.281 0.052 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCSC1)N(C)C ZINC000353490187 387214811 /nfs/dbraw/zinc/21/48/11/387214811.db2.gz HSAKLVQXKZKFBY-DTWKUNHWSA-N 0 3 216.350 0.806 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](N(C)C)C2)CO1 ZINC000352492947 387252994 /nfs/dbraw/zinc/25/29/94/387252994.db2.gz NIKCNVLBPSWBNN-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CO[C@@]1(C)CCCN(CC(=O)N(C)C)C1 ZINC000336393506 387223284 /nfs/dbraw/zinc/22/32/84/387223284.db2.gz DUZPUFASDOJHOU-NSHDSACASA-N 0 3 214.309 0.576 20 0 BCADHN CO[C@@H](C(=O)NCCOCCN(C)C)C(C)C ZINC000353537537 387226797 /nfs/dbraw/zinc/22/67/97/387226797.db2.gz SFBRNSKGGPALLD-LLVKDONJSA-N 0 3 246.351 0.352 20 0 BCADHN CSC[C@H](C)NC(=O)N[C@H](C)CN(C)C ZINC000353551908 387228535 /nfs/dbraw/zinc/22/85/35/387228535.db2.gz LYEPTMKXEVDVTM-BDAKNGLRSA-N 0 3 233.381 0.987 20 0 BCADHN CCOC[C@@H](C)N[C@@H]1CCC(=O)N(C)C1=O ZINC000230063479 387229722 /nfs/dbraw/zinc/22/97/22/387229722.db2.gz RBZRBGTXIBCSCG-RKDXNWHRSA-N 0 3 228.292 0.148 20 0 BCADHN Cc1cn[nH]c1CN1CC[C@@H](O)[C@H](C)C1 ZINC000336400756 387230129 /nfs/dbraw/zinc/23/01/29/387230129.db2.gz CQJWZKNNKVWKCK-MWLCHTKSSA-N 0 3 209.293 0.921 20 0 BCADHN O=C1NCCCC[C@H]1N1CC[C@]2(CCOC2)C1 ZINC000120340534 387232374 /nfs/dbraw/zinc/23/23/74/387232374.db2.gz QOLMDHQGPDXEMX-YPMHNXCESA-N 0 3 238.331 0.768 20 0 BCADHN COC(=O)CN1CCCN(C[C@H](C)OC)CC1 ZINC000371703721 387241450 /nfs/dbraw/zinc/24/14/50/387241450.db2.gz OSHMSJFKSBCWND-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN CN(C)C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2F)CCO1 ZINC000424672669 387243239 /nfs/dbraw/zinc/24/32/39/387243239.db2.gz IYVPXTAVSHODHM-JFGNBEQYSA-N 0 3 244.310 0.524 20 0 BCADHN COC[C@H](CO)N[C@H](C)CC(=O)OC(C)(C)C ZINC000353625933 387243238 /nfs/dbraw/zinc/24/32/38/387243238.db2.gz HOOBLAOFBGTWPK-ZJUUUORDSA-N 0 3 247.335 0.704 20 0 BCADHN COC[C@@H](CO)N[C@H](C)CC(=O)OC(C)(C)C ZINC000353625925 387243264 /nfs/dbraw/zinc/24/32/64/387243264.db2.gz HOOBLAOFBGTWPK-NXEZZACHSA-N 0 3 247.335 0.704 20 0 BCADHN C[C@H]1CC[C@@](CO)(N(C)CC(=O)N(C)C)C1 ZINC000188016066 387244905 /nfs/dbraw/zinc/24/49/05/387244905.db2.gz IHJSWCNJZQALMH-CMPLNLGQSA-N 0 3 228.336 0.558 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@H](OC)CC1 ZINC000371737614 387245417 /nfs/dbraw/zinc/24/54/17/387245417.db2.gz VYDJKMLTGSJMMO-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N(CCO)CC1CC1 ZINC000352491446 387251413 /nfs/dbraw/zinc/25/14/13/387251413.db2.gz QCBKLKCHUPMZKA-VIFPVBQESA-N 0 3 226.320 0.358 20 0 BCADHN O=C1NCC[C@@]12CCCN2CCc1cccnc1 ZINC000571894064 387194968 /nfs/dbraw/zinc/19/49/68/387194968.db2.gz UEZRDORDDINOAH-AWEZNQCLSA-N 0 3 245.326 0.979 20 0 BCADHN CC[C@](C)(CO)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000571896318 387195408 /nfs/dbraw/zinc/19/54/08/387195408.db2.gz XFFUMOPGHPAZJB-WCQYABFASA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](NC(=O)[C@H]1CCCCN1)c1cn[nH]c1 ZINC000229700538 387195510 /nfs/dbraw/zinc/19/55/10/387195510.db2.gz YWQJAJPIMINDBB-PSASIEDQSA-N 0 3 222.292 0.729 20 0 BCADHN COCCNCCNC(=O)N[C@H]1CC[C@H]1C ZINC000418185343 387195860 /nfs/dbraw/zinc/19/58/60/387195860.db2.gz OTMUFXAQWZOJRT-ZJUUUORDSA-N 0 3 229.324 0.320 20 0 BCADHN CCO[C@H](C)C(=O)NCCNc1ccncc1 ZINC000353417967 387197832 /nfs/dbraw/zinc/19/78/32/387197832.db2.gz XMQSISRJEOHFAT-SNVBAGLBSA-N 0 3 237.303 0.457 20 0 BCADHN CSCC[C@@H](N)C(=O)N1CCCO[C@@H](C)C1 ZINC000077585490 387199876 /nfs/dbraw/zinc/19/98/76/387199876.db2.gz ZITOWVPRKQWEGA-VHSXEESVSA-N 0 3 246.376 0.704 20 0 BCADHN COC[C@H](O)CCNCc1c(C)cnn1C ZINC000286046901 387309983 /nfs/dbraw/zinc/30/99/83/387309983.db2.gz QYVXXTOEEFNTGP-SNVBAGLBSA-N 0 3 227.308 0.216 20 0 BCADHN Cc1cnn(C)c1CN[C@@H]1C[C@H](O)C1(C)C ZINC000286079500 387310820 /nfs/dbraw/zinc/31/08/20/387310820.db2.gz SGSHFBZEYAOIIN-MNOVXSKESA-N 0 3 223.320 0.978 20 0 BCADHN Cc1cc(C(=O)NC[C@H]2CCCN(C)C2)ncn1 ZINC000162065354 387311413 /nfs/dbraw/zinc/31/14/13/387311413.db2.gz NJXXCQMKMCLJST-LLVKDONJSA-N 0 3 248.330 0.857 20 0 BCADHN Cn1cnc2c1CCN(CCCCCO)C2 ZINC000372582559 387312625 /nfs/dbraw/zinc/31/26/25/387312625.db2.gz JJAMFYWXZFMXMR-UHFFFAOYSA-N 0 3 223.320 0.941 20 0 BCADHN CC[C@@H](C)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000121208738 387314771 /nfs/dbraw/zinc/31/47/71/387314771.db2.gz AORGPDSTKVZEBW-ZJUUUORDSA-N 0 3 234.365 0.656 20 0 BCADHN C[C@@H](C[NH3+])CNC(=O)c1ccc2n[n-]nc2c1 ZINC000423466216 387314984 /nfs/dbraw/zinc/31/49/84/387314984.db2.gz WUZJQWLPDPNMER-ZETCQYMHSA-N 0 3 233.275 0.283 20 0 BCADHN Cc1cnn(C)c1CNC[C@@]1(O)CCO[C@H]1C ZINC000286026338 387319221 /nfs/dbraw/zinc/31/92/21/387319221.db2.gz QESNXEMGJZSBID-JQWIXIFHSA-N 0 3 239.319 0.358 20 0 BCADHN Cc1c(CN2CC[C@@H](CO)[C@@H]2C)cnn1C ZINC000336429699 387256382 /nfs/dbraw/zinc/25/63/82/387256382.db2.gz VTEHDIIWTZLORO-QWRGUYRKSA-N 0 3 223.320 0.931 20 0 BCADHN CN(CCN1CCCC1)C(=O)C1(C)COC1 ZINC000360300729 387258960 /nfs/dbraw/zinc/25/89/60/387258960.db2.gz XABAIAMJXXHJFW-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN CC[C@@H](CCO)NC(=O)N[C@H](C)CN(C)C ZINC000353720678 387259384 /nfs/dbraw/zinc/25/93/84/387259384.db2.gz CSRGSURKGMWLOY-ZJUUUORDSA-N 0 3 231.340 0.397 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H]1CC[C@@H](CO)O1 ZINC000353703081 387260738 /nfs/dbraw/zinc/26/07/38/387260738.db2.gz KTGOHXXJTIORCD-RYUDHWBXSA-N 0 3 239.319 0.358 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1N[C@H]1CNCCC1(F)F ZINC000423470834 387317127 /nfs/dbraw/zinc/31/71/27/387317127.db2.gz GVIRFKZAWRTKDD-BBBLOLIVSA-N 0 3 233.306 0.523 20 0 BCADHN Cn1nncc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000230316165 387261657 /nfs/dbraw/zinc/26/16/57/387261657.db2.gz KJUDQOJVNTVSSY-MNOVXSKESA-N 0 3 222.292 0.472 20 0 BCADHN Cn1nncc1CN[C@H]1CCO[C@H]1C1CC1 ZINC000230316169 387261783 /nfs/dbraw/zinc/26/17/83/387261783.db2.gz KJUDQOJVNTVSSY-QWRGUYRKSA-N 0 3 222.292 0.472 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](C)COCCOC ZINC000353719063 387262289 /nfs/dbraw/zinc/26/22/89/387262289.db2.gz AHLNHDKRLZZFMN-PWSUYJOCSA-N 0 3 246.351 0.672 20 0 BCADHN C[C@H](NCC(C)(C)C(N)=O)c1cn[nH]c1 ZINC000285425661 387264364 /nfs/dbraw/zinc/26/43/64/387264364.db2.gz YJSPCHKQWHKXRJ-ZETCQYMHSA-N 0 3 210.281 0.572 20 0 BCADHN CC[C@](C)(NC[C@H](O)COC(C)(C)C)C(N)=O ZINC000301655208 387264634 /nfs/dbraw/zinc/26/46/34/387264634.db2.gz YXHUBKBLPOAKOI-CABZTGNLSA-N 0 3 246.351 0.406 20 0 BCADHN CC[C@](C)(NC[C@@H](O)COC(C)(C)C)C(N)=O ZINC000301655210 387265249 /nfs/dbraw/zinc/26/52/49/387265249.db2.gz YXHUBKBLPOAKOI-SKDRFNHKSA-N 0 3 246.351 0.406 20 0 BCADHN CCC[C@H](N)C(=O)NCc1noc(C2CC2)n1 ZINC000353732318 387266071 /nfs/dbraw/zinc/26/60/71/387266071.db2.gz XJNLGFLBUKSRNF-QMMMGPOBSA-N 0 3 238.291 0.691 20 0 BCADHN Cc1cnn(C)c1CNCCN1CCCC1 ZINC000285412589 387266443 /nfs/dbraw/zinc/26/64/43/387266443.db2.gz JBHZDKNPKAKICU-UHFFFAOYSA-N 0 3 222.336 0.914 20 0 BCADHN Cc1noc(C)c1[C@H](C)CNC(=O)[C@H](C)N ZINC000353737620 387267552 /nfs/dbraw/zinc/26/75/52/387267552.db2.gz IVOYGUUDLOFYIR-RQJHMYQMSA-N 0 3 225.292 0.858 20 0 BCADHN CO[C@@H](C)CCC(=O)N(C)CCN(C)C ZINC000360344053 387267791 /nfs/dbraw/zinc/26/77/91/387267791.db2.gz RIIKWKSSQMBSLL-JTQLQIEISA-N 0 3 216.325 0.822 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000353750501 387269939 /nfs/dbraw/zinc/26/99/39/387269939.db2.gz AKOWNSAJAKHYRR-WCBMZHEXSA-N 0 3 247.298 0.576 20 0 BCADHN CCC[C@@H]1C[C@@H]1C(=O)NC[C@@](C)(O)CN(C)C ZINC000360361224 387270875 /nfs/dbraw/zinc/27/08/75/387270875.db2.gz FCVNHHCMXSKOTJ-NTZNESFSSA-N 0 3 242.363 0.851 20 0 BCADHN CC(C(=O)N[C@H]1CC[C@@H](F)C1)S(C)(=O)=O ZINC000360361769 387271367 /nfs/dbraw/zinc/27/13/67/387271367.db2.gz LRFGVUBPNMQGIG-PRJMDXOYSA-N 0 3 237.296 0.426 20 0 BCADHN CCC[C@@H]1C[C@H]1C(=O)NC[C@](C)(O)CN(C)C ZINC000360361225 387271498 /nfs/dbraw/zinc/27/14/98/387271498.db2.gz FCVNHHCMXSKOTJ-WZRBSPASSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000372156152 387277849 /nfs/dbraw/zinc/27/78/49/387277849.db2.gz IYHUDAXYLPTATB-GRYCIOLGSA-N 0 3 240.347 0.822 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1CO[C@@H](C)C1)N(C)C ZINC000572245930 387279360 /nfs/dbraw/zinc/27/93/60/387279360.db2.gz HUYWXZJUWXFVMV-HBNTYKKESA-N 0 3 228.336 0.866 20 0 BCADHN CC(C)(C)[C@H]1CCN([C@@H]2CC(=O)NC2=O)C1 ZINC000514737882 387283917 /nfs/dbraw/zinc/28/39/17/387283917.db2.gz SAALYEHNMMNCEF-DTWKUNHWSA-N 0 3 224.304 0.770 20 0 BCADHN Cc1cnn(C)c1CNC[C@@]1(O)CCO[C@@H]1C ZINC000286026343 387318137 /nfs/dbraw/zinc/31/81/37/387318137.db2.gz QESNXEMGJZSBID-PWSUYJOCSA-N 0 3 239.319 0.358 20 0 BCADHN CC(C)C[C@H](C)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000336459180 387286375 /nfs/dbraw/zinc/28/63/75/387286375.db2.gz LPHTWSFHJZCPLI-VHSXEESVSA-N 0 3 239.319 0.657 20 0 BCADHN CC(C)(O)CCN1CCCC[C@@H]1C(N)=O ZINC000360449143 387287186 /nfs/dbraw/zinc/28/71/86/387287186.db2.gz RLBUHRLDZQXPHM-SECBINFHSA-N 0 3 214.309 0.487 20 0 BCADHN CCOCCNC(=O)CN1CC[C@@H](C2CC2)C1 ZINC000372337148 387291738 /nfs/dbraw/zinc/29/17/38/387291738.db2.gz AYGDIPCVDXTXJV-GFCCVEGCSA-N 0 3 240.347 0.871 20 0 BCADHN CC[C@]1(C)CCN(C(=O)C(=O)N(C)CCN)C1 ZINC000423441757 387291935 /nfs/dbraw/zinc/29/19/35/387291935.db2.gz JIGFEYQMTBFKIQ-GFCCVEGCSA-N 0 3 241.335 0.052 20 0 BCADHN CCCN(CC(=O)NC(=O)NCC)C(C)C ZINC000514796924 387292922 /nfs/dbraw/zinc/29/29/22/387292922.db2.gz WOYQJKIFVJVUHT-UHFFFAOYSA-N 0 3 229.324 0.953 20 0 BCADHN C[C@@H]1CC[C@H]1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000514808952 387294332 /nfs/dbraw/zinc/29/43/32/387294332.db2.gz KLRLQBHFTRWSRJ-CKYFFXLPSA-N 0 3 241.335 0.151 20 0 BCADHN Cn1ccc(CC(=O)N[C@@H]2CCN(C3CC3)C2)n1 ZINC000572275370 387297991 /nfs/dbraw/zinc/29/79/91/387297991.db2.gz LJASEKBNQKCNTG-LLVKDONJSA-N 0 3 248.330 0.316 20 0 BCADHN CC[C@H](SC)C(=O)NC[C@H]1CNCCO1 ZINC000514865477 387301286 /nfs/dbraw/zinc/30/12/86/387301286.db2.gz WODSDYWSMSZSGA-BDAKNGLRSA-N 0 3 232.349 0.233 20 0 BCADHN CC(C)(C)C[N@@H+]1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000372434393 387302278 /nfs/dbraw/zinc/30/22/78/387302278.db2.gz BDBMOFGNUUFJAK-NSHDSACASA-N 0 3 225.292 0.316 20 0 BCADHN CC(C)(C)C[N@H+]1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000372434393 387302282 /nfs/dbraw/zinc/30/22/82/387302282.db2.gz BDBMOFGNUUFJAK-NSHDSACASA-N 0 3 225.292 0.316 20 0 BCADHN CC[C@@H](SC)C(=O)NC[C@@H]1CNCCO1 ZINC000514865478 387302387 /nfs/dbraw/zinc/30/23/87/387302387.db2.gz WODSDYWSMSZSGA-DTWKUNHWSA-N 0 3 232.349 0.233 20 0 BCADHN C[C@H](NC(=O)[C@H]1C[C@H](F)CN1)c1cnn(C)c1 ZINC000372460708 387304945 /nfs/dbraw/zinc/30/49/45/387304945.db2.gz TZUSRFHADJRNNC-UJNFCWOMSA-N 0 3 240.282 0.297 20 0 BCADHN CCCCN(CC[C@@H]1CCNC1=O)CC(N)=O ZINC000514929659 387307522 /nfs/dbraw/zinc/30/75/22/387307522.db2.gz MVBYLOBZNRGEMA-JTQLQIEISA-N 0 3 241.335 0.100 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N1CCN(C)CC[C@H]1C ZINC000354005990 387308753 /nfs/dbraw/zinc/30/87/53/387308753.db2.gz JRHFUYZLDTXDTI-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H](O)CC(C)(C)CNC(=O)[C@]1(F)CCNC1 ZINC000305099119 387309338 /nfs/dbraw/zinc/30/93/38/387309338.db2.gz AINAONQXSLVDCL-SKDRFNHKSA-N 0 3 246.326 0.601 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1CCN(C)CC[C@@H]1C ZINC000354005992 387309353 /nfs/dbraw/zinc/30/93/53/387309353.db2.gz JRHFUYZLDTXDTI-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CC(F)(F)CN1)N(C)C ZINC000360821717 387354233 /nfs/dbraw/zinc/35/42/33/387354233.db2.gz ZWJUPCFBCIBKSU-JGVFFNPUSA-N 0 3 235.278 0.050 20 0 BCADHN CN(C)CCN(C)c1nccn(C(F)F)c1=O ZINC000360993785 387383998 /nfs/dbraw/zinc/38/39/98/387383998.db2.gz DLFGRQNEMHZONN-UHFFFAOYSA-N 0 3 246.261 0.636 20 0 BCADHN CO[C@H]1CCCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000373291103 387355471 /nfs/dbraw/zinc/35/54/71/387355471.db2.gz YEAHFDATGZWSJO-IUCAKERBSA-N 0 3 243.307 0.071 20 0 BCADHN CCN1CC[C@H](N[C@H]2CSC[C@H]2C)C1=O ZINC000648574815 387355997 /nfs/dbraw/zinc/35/59/97/387355997.db2.gz HZCLZRMVHFOAQJ-UTLUCORTSA-N 0 3 228.361 0.948 20 0 BCADHN CCOC1CC(C(=O)N(C)CCN(C)C)C1 ZINC000354487220 387384033 /nfs/dbraw/zinc/38/40/33/387384033.db2.gz DCXUAZCFLPLXNB-UHFFFAOYSA-N 0 3 228.336 0.822 20 0 BCADHN CN(CCN1CCCC1)C(=O)Cc1cncnc1 ZINC000354305896 387357613 /nfs/dbraw/zinc/35/76/13/387357613.db2.gz VBSPOCWDOWHNSQ-UHFFFAOYSA-N 0 3 248.330 0.573 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC(C(C)(C)O)C2)C1 ZINC000515309755 387358482 /nfs/dbraw/zinc/35/84/82/387358482.db2.gz LHOLLRJTYTUNPB-SNVBAGLBSA-N 0 3 240.347 0.558 20 0 BCADHN CN(CCNC(=O)NC[C@@H]1CCCO1)C1CC1 ZINC000352606094 387361373 /nfs/dbraw/zinc/36/13/73/387361373.db2.gz USVUBAXMKRUCQM-NSHDSACASA-N 0 3 241.335 0.559 20 0 BCADHN COc1nccc(CN2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000648593145 387363178 /nfs/dbraw/zinc/36/31/78/387363178.db2.gz XFJZCTSHADZRAY-CMPLNLGQSA-N 0 3 248.330 0.621 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000423591363 387384243 /nfs/dbraw/zinc/38/42/43/387384243.db2.gz CCBSBUOABNFAGU-DOLQZWNJSA-N 0 3 240.303 0.004 20 0 BCADHN CCCCN(C)CCNC(=O)c1ncn(C)n1 ZINC000354386137 387370637 /nfs/dbraw/zinc/37/06/37/387370637.db2.gz GIMMYBGAOLSJSD-UHFFFAOYSA-N 0 3 239.323 0.277 20 0 BCADHN C[C@H](CNC(=O)C1=CCOCC1)N(C)C ZINC000354428703 387373868 /nfs/dbraw/zinc/37/38/68/387373868.db2.gz PWIBHLBTYVWLCQ-SECBINFHSA-N 0 3 212.293 0.399 20 0 BCADHN C[C@H](Cc1cnn(C)c1)NCc1cnnn1C ZINC000352619167 387384656 /nfs/dbraw/zinc/38/46/56/387384656.db2.gz ZTEFEWIDSTURLA-SECBINFHSA-N 0 3 234.307 0.269 20 0 BCADHN CC[C@H]1CC[C@@H](C)N1C(=O)C(=O)N(C)CCN ZINC000423554906 387375793 /nfs/dbraw/zinc/37/57/93/387375793.db2.gz FRBMLUONKMRRPB-ZJUUUORDSA-N 0 3 241.335 0.193 20 0 BCADHN O=C1NCCC[C@@H]1N1CCCSCC1 ZINC000336554312 387378342 /nfs/dbraw/zinc/37/83/42/387378342.db2.gz YPKPNKAECXIMIT-VIFPVBQESA-N 0 3 214.334 0.704 20 0 BCADHN COC(=O)CCCN1CCSC[C@H]1CCO ZINC000360970505 387379012 /nfs/dbraw/zinc/37/90/12/387379012.db2.gz RBTUZYGFUKGWCC-SNVBAGLBSA-N 0 3 247.360 0.739 20 0 BCADHN CC(=O)NCCCN(C)CCOCC1CC1 ZINC000121583911 387380239 /nfs/dbraw/zinc/38/02/39/387380239.db2.gz CLDWXZFKMBEDLH-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN COC[C@H](C)[C@H](C)C(=O)N[C@H](C)CN(C)C ZINC000360609798 387322339 /nfs/dbraw/zinc/32/23/39/387322339.db2.gz GNLIBFBCCKRYQY-AXFHLTTASA-N 0 3 230.352 0.971 20 0 BCADHN CC(C)CC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000372732683 387323056 /nfs/dbraw/zinc/32/30/56/387323056.db2.gz QTYMIBXYIKNGKT-LBPRGKRZSA-N 0 3 242.363 0.948 20 0 BCADHN COC[C@H](CNCc1c(C)cnn1C)OC ZINC000286226281 387323903 /nfs/dbraw/zinc/32/39/03/387323903.db2.gz YXCYMIFJLSJVSW-JTQLQIEISA-N 0 3 227.308 0.480 20 0 BCADHN Cc1c([C@@H](C)NC[C@H]2COCCO2)cnn1C ZINC000352557378 387324664 /nfs/dbraw/zinc/32/46/64/387324664.db2.gz NCVJZSIVOLUOMP-KOLCDFICSA-N 0 3 239.319 0.795 20 0 BCADHN O=C(CN1CC[C@](O)(C2CC2)C1)N1CCC1 ZINC000336504468 387328531 /nfs/dbraw/zinc/32/85/31/387328531.db2.gz ITFDBWCNHTVLLF-GFCCVEGCSA-N 0 3 224.304 0.066 20 0 BCADHN CCC[C@H](C)[C@@H](CO)NCC(=O)NCC ZINC000515063563 387329739 /nfs/dbraw/zinc/32/97/39/387329739.db2.gz WWNXXLREDSIMLA-VHSXEESVSA-N 0 3 216.325 0.509 20 0 BCADHN COC[C@@H](C)NC(=O)C[C@H]1CSCCN1 ZINC000085612589 387331103 /nfs/dbraw/zinc/33/11/03/387331103.db2.gz XXLJFMPDGFWLGJ-BDAKNGLRSA-N 0 3 232.349 0.233 20 0 BCADHN CCCN(CCCc1cncn1C)CC(N)=O ZINC000515069726 387332233 /nfs/dbraw/zinc/33/22/33/387332233.db2.gz LWFYGLSGEWJRGY-UHFFFAOYSA-N 0 3 238.335 0.550 20 0 BCADHN Cc1cnn(C)c1CNC[C@H](C)N(C)C ZINC000286494495 387332374 /nfs/dbraw/zinc/33/23/74/387332374.db2.gz MAAZQZSZBVJLBB-JTQLQIEISA-N 0 3 210.325 0.768 20 0 BCADHN Cc1cnn(C)c1CNC[C@H](O)C1CC1 ZINC000286645513 387333925 /nfs/dbraw/zinc/33/39/25/387333925.db2.gz TZFPORRLNWAUQQ-NSHDSACASA-N 0 3 209.293 0.589 20 0 BCADHN CC(C)(NC(=O)NC[C@H]1CNCCO1)C1CC1 ZINC000572347649 387337176 /nfs/dbraw/zinc/33/71/76/387337176.db2.gz FBYBOGKCILWBGN-SNVBAGLBSA-N 0 3 241.335 0.463 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@@H](CO)[C@H]1C ZINC000336558486 387383179 /nfs/dbraw/zinc/38/31/79/387383179.db2.gz XKXBEZMKLRBIDF-MNOVXSKESA-N 0 3 223.320 0.931 20 0 BCADHN COC(=O)c1cc(CN(C)C[C@@H](C)O)cn1C ZINC000361016867 387383212 /nfs/dbraw/zinc/38/32/12/387383212.db2.gz KBIITMFMWYEWOI-SECBINFHSA-N 0 3 240.303 0.624 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000372983279 387339800 /nfs/dbraw/zinc/33/98/00/387339800.db2.gz UHBGAWBLZPIBQO-UWVGGRQHSA-N 0 3 236.319 0.511 20 0 BCADHN Cc1cnn(C)c1CN[C@@H](C)CCCO ZINC000286742387 387340026 /nfs/dbraw/zinc/34/00/26/387340026.db2.gz YIJUWEDSIZPTIT-JTQLQIEISA-N 0 3 211.309 0.979 20 0 BCADHN Cc1ccncc1[C@@H](C)NC[C@@H]1CNCCN1C ZINC000423504953 387342117 /nfs/dbraw/zinc/34/21/17/387342117.db2.gz GHCQDSGJHLJONT-OLZOCXBDSA-N 0 3 248.374 0.944 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@@H](N)CCSC ZINC000303388356 387348359 /nfs/dbraw/zinc/34/83/59/387348359.db2.gz GYBSSGIACJQOKK-SFYZADRCSA-N 0 3 248.348 0.135 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@@]1(C)CCCO1 ZINC000354231940 387348956 /nfs/dbraw/zinc/34/89/56/387348956.db2.gz YAIXMWXFYHCLAP-CMPLNLGQSA-N 0 3 243.351 0.805 20 0 BCADHN CN(CCNC(=O)N(C)C1CC(O)C1)C1CC1 ZINC000354238395 387349475 /nfs/dbraw/zinc/34/94/75/387349475.db2.gz MEXXSHLTRQYDJX-UHFFFAOYSA-N 0 3 241.335 0.245 20 0 BCADHN Cn1ccnc1CN[C@@H]1CCc2c[nH]nc2C1 ZINC000336524119 387349669 /nfs/dbraw/zinc/34/96/69/387349669.db2.gz XSSBQLLDDXQVNN-SNVBAGLBSA-N 0 3 231.303 0.790 20 0 BCADHN CC(=O)N[C@@H]1CCCN(CCCF)C1 ZINC000121455372 387352253 /nfs/dbraw/zinc/35/22/53/387352253.db2.gz GSFKTCFIWXMZJJ-SNVBAGLBSA-N 0 3 202.273 0.947 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](CO)C[C@@H]1C ZINC000354269053 387353535 /nfs/dbraw/zinc/35/35/35/387353535.db2.gz ZLIUOHXHRRWZFL-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC(OC)CC1 ZINC000037507195 387423575 /nfs/dbraw/zinc/42/35/75/387423575.db2.gz XNXYZVAJKOFSQS-SECBINFHSA-N 0 3 200.282 0.361 20 0 BCADHN CCC[C@H]1CN(CCO)CCN1CCOC ZINC000121855584 387425463 /nfs/dbraw/zinc/42/54/63/387425463.db2.gz KYQUNSBRUKFXKJ-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN CCC[C@H](N)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000423782708 387425749 /nfs/dbraw/zinc/42/57/49/387425749.db2.gz ZWRQMBKIDACNDZ-RYUDHWBXSA-N 0 3 241.379 0.912 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000037621095 387426404 /nfs/dbraw/zinc/42/64/04/387426404.db2.gz GKHRCRVAXUOGPD-BXKDBHETSA-N 0 3 241.335 0.228 20 0 BCADHN COC(=O)[C@@H](C)N(C)C(=O)[C@@H](C)NC1CC1 ZINC000423794106 387426917 /nfs/dbraw/zinc/42/69/17/387426917.db2.gz DDWKOGGULBOWAU-HTQZYQBOSA-N 0 3 228.292 0.147 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2NC(=O)CNC1CC1 ZINC000037609665 387427423 /nfs/dbraw/zinc/42/74/23/387427423.db2.gz JZMFHROJQRRIAW-NSHDSACASA-N 0 3 248.330 0.666 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000037621093 387427518 /nfs/dbraw/zinc/42/75/18/387427518.db2.gz GKHRCRVAXUOGPD-JOYOIKCWSA-N 0 3 241.335 0.228 20 0 BCADHN COCCNCC(=O)NCC1(C2CC2)CCC1 ZINC000393334459 387427635 /nfs/dbraw/zinc/42/76/35/387427635.db2.gz XPJPURASIWCOES-UHFFFAOYSA-N 0 3 240.347 0.919 20 0 BCADHN CCC[C@@H](NC(=O)C(C)(C)N)C(=O)OC ZINC000423793372 387427744 /nfs/dbraw/zinc/42/77/44/387427744.db2.gz CRGNKEYHBZSKBO-SSDOTTSWSA-N 0 3 216.281 0.182 20 0 BCADHN COC(=O)[C@H](C)N(C)C(=O)[C@@H](C)NC1CC1 ZINC000423794110 387428152 /nfs/dbraw/zinc/42/81/52/387428152.db2.gz DDWKOGGULBOWAU-SFYZADRCSA-N 0 3 228.292 0.147 20 0 BCADHN CC[C@H](O)CN1CCC[C@H]1C(=O)N(C)C ZINC000304020787 387429972 /nfs/dbraw/zinc/42/99/72/387429972.db2.gz XZIPPLHUZDTFMR-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@H](CN(C)[C@H]1CCC[C@@H]1O)CS(C)(=O)=O ZINC000352667508 387430002 /nfs/dbraw/zinc/43/00/02/387430002.db2.gz KWUBLUPDHGDXSH-VWYCJHECSA-N 0 3 249.376 0.512 20 0 BCADHN CSCCCN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000374182968 387430299 /nfs/dbraw/zinc/43/02/99/387430299.db2.gz LHGRAIYCEFGMFV-NXEZZACHSA-N 0 3 228.361 0.950 20 0 BCADHN CCC[C@@H](NC(=O)[C@@H](N)[C@H](C)CC)C(=O)OC ZINC000423802612 387430330 /nfs/dbraw/zinc/43/03/30/387430330.db2.gz PMJZBSYTDCQUCP-BBBLOLIVSA-N 0 3 244.335 0.818 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@@H](CCC)C(=O)OC ZINC000423808553 387431100 /nfs/dbraw/zinc/43/11/00/387431100.db2.gz ZCIZFHGEQCONPR-UWVGGRQHSA-N 0 3 244.335 0.962 20 0 BCADHN CO[C@@H]1CCCN(CCN2CCCOCC2)C1 ZINC000361289605 387431603 /nfs/dbraw/zinc/43/16/03/387431603.db2.gz QFPWSDKDRRDXFL-CYBMUJFWSA-N 0 3 242.363 0.820 20 0 BCADHN CCOC(=O)CC[C@H](C)NC(=O)[C@H](N)C(C)C ZINC000423806052 387432562 /nfs/dbraw/zinc/43/25/62/387432562.db2.gz UDKVQCDTFZKPDD-GXSJLCMTSA-N 0 3 244.335 0.818 20 0 BCADHN CCC[C@H](N)C(=O)N1C[C@H](COC)O[C@@H](C)C1 ZINC000423828943 387433521 /nfs/dbraw/zinc/43/35/21/387433521.db2.gz OMEUBNAIOLCVDI-AXFHLTTASA-N 0 3 244.335 0.376 20 0 BCADHN CN(C)c1ncc(NC(=O)[C@H]2CCCCN2)cn1 ZINC000423845058 387433584 /nfs/dbraw/zinc/43/35/84/387433584.db2.gz JTYRFPPUOHKOOW-SNVBAGLBSA-N 0 3 249.318 0.623 20 0 BCADHN C[C@@H](F)CCN1CCC(S(N)(=O)=O)CC1 ZINC000367134015 387435149 /nfs/dbraw/zinc/43/51/49/387435149.db2.gz SOMCQUOQSVSYBZ-MRVPVSSYSA-N 0 3 238.328 0.487 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cnccc1N ZINC000423844098 387435711 /nfs/dbraw/zinc/43/57/11/387435711.db2.gz ISJIUUQLJAPMQR-UHFFFAOYSA-N 0 3 248.330 0.660 20 0 BCADHN CC[C@@H]1C[C@@H](NC(=O)[C@H](C)N)CCO1 ZINC000515848522 387435904 /nfs/dbraw/zinc/43/59/04/387435904.db2.gz INQUYYNWFKAYGE-XHNCKOQMSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@@H]1CCN(CC(=O)NC[C@H]2CCC[C@@H]2O)C1 ZINC000515867035 387437037 /nfs/dbraw/zinc/43/70/37/387437037.db2.gz GLOXADXVOJUVIL-UTUOFQBUSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H](O)CCCN1CCCC[C@H]1C(N)=O ZINC000354857607 387438608 /nfs/dbraw/zinc/43/86/08/387438608.db2.gz AVXOONVPGBQNGK-ZJUUUORDSA-N 0 3 214.309 0.487 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000423862937 387439501 /nfs/dbraw/zinc/43/95/01/387439501.db2.gz HAYPBIJLZRXFKK-NHCYSSNCSA-N 0 3 240.347 0.746 20 0 BCADHN CN(CCC1CCOCC1)[C@@H]1COC[C@@H]1O ZINC000361317879 387439654 /nfs/dbraw/zinc/43/96/54/387439654.db2.gz DOUGDDJFFDEHAA-NEPJUHHUSA-N 0 3 229.320 0.495 20 0 BCADHN CN(CCC1CCOCC1)[C@H]1COC[C@H]1O ZINC000361317880 387440016 /nfs/dbraw/zinc/44/00/16/387440016.db2.gz DOUGDDJFFDEHAA-NWDGAFQWSA-N 0 3 229.320 0.495 20 0 BCADHN CC[C@@H](C(=O)N1CC(O)C1)N(CC)CC ZINC000361316061 387440170 /nfs/dbraw/zinc/44/01/70/387440170.db2.gz OERKIUFXOBEXAA-JTQLQIEISA-N 0 3 214.309 0.310 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](C)O)N(CC)CC ZINC000352692236 387440244 /nfs/dbraw/zinc/44/02/44/387440244.db2.gz FQUZLIIZVXXVMZ-UWVGGRQHSA-N 0 3 216.325 0.604 20 0 BCADHN CCC[C@H](N)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000423873654 387441348 /nfs/dbraw/zinc/44/13/48/387441348.db2.gz QZVHJYRRWZKAFX-OUAUKWLOSA-N 0 3 228.336 0.733 20 0 BCADHN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC)[C@H]1OC ZINC000423874415 387441671 /nfs/dbraw/zinc/44/16/71/387441671.db2.gz CDXQWIRBFWOKNV-SGIHWFKDSA-N 0 3 230.308 0.032 20 0 BCADHN C[C@H](O)CCCN1CCC[C@@H]1C(N)=O ZINC000354885720 387442008 /nfs/dbraw/zinc/44/20/08/387442008.db2.gz VFIFIMHWWOJVKH-DTWKUNHWSA-N 0 3 200.282 0.097 20 0 BCADHN C[C@@H](O)CCCN1CCC[C@@H]1C(N)=O ZINC000354885723 387442140 /nfs/dbraw/zinc/44/21/40/387442140.db2.gz VFIFIMHWWOJVKH-RKDXNWHRSA-N 0 3 200.282 0.097 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000423893733 387445985 /nfs/dbraw/zinc/44/59/85/387445985.db2.gz ATDBXJKZAYBNOQ-WOPDTQHZSA-N 0 3 239.363 0.666 20 0 BCADHN COC[C@@H](Cc1ccccc1)N(C)C(=O)CN ZINC000423896823 387446196 /nfs/dbraw/zinc/44/61/96/387446196.db2.gz DFHJOHYRKKRXFS-GFCCVEGCSA-N 0 3 236.315 0.661 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC ZINC000423896337 387446760 /nfs/dbraw/zinc/44/67/60/387446760.db2.gz JKDKIBRNHNFQCF-ZRUFSTJUSA-N 0 3 244.335 0.422 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000423893722 387446923 /nfs/dbraw/zinc/44/69/23/387446923.db2.gz ATDBXJKZAYBNOQ-GRYCIOLGSA-N 0 3 239.363 0.666 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)[C@@H](C)NC1CC1 ZINC000423915656 387448512 /nfs/dbraw/zinc/44/85/12/387448512.db2.gz BAKVLPLYBPIOGD-DJLDLDEBSA-N 0 3 214.309 0.667 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCC[C@@H](O)C1 ZINC000084480465 387448902 /nfs/dbraw/zinc/44/89/02/387448902.db2.gz DGSRGDIIYWRNGG-VHSXEESVSA-N 0 3 214.309 0.215 20 0 BCADHN CCCN[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)CC ZINC000423917330 387448869 /nfs/dbraw/zinc/44/88/69/387448869.db2.gz JQWZARQHCBTMQM-VHSXEESVSA-N 0 3 243.351 0.358 20 0 BCADHN COC1(CN2CCNC(=O)CC2)CCCC1 ZINC000336605748 387449016 /nfs/dbraw/zinc/44/90/16/387449016.db2.gz KODYETMBYMUSRP-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN CCC[C@H](N)C(=O)N1C[C@@H](OC)C[C@H]1COC ZINC000423924446 387450497 /nfs/dbraw/zinc/45/04/97/387450497.db2.gz AAYNIWAIOPDDGF-DCAQKATOSA-N 0 3 244.335 0.376 20 0 BCADHN CN(CCc1ccccc1)[C@H]1COC[C@H]1O ZINC000304238313 387450479 /nfs/dbraw/zinc/45/04/79/387450479.db2.gz NAMGENXSYOSZDY-QWHCGFSZSA-N 0 3 221.300 0.921 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)[C@@H](C)OC ZINC000423920044 387450592 /nfs/dbraw/zinc/45/05/92/387450592.db2.gz FZWLUXRUYMTJBK-QEYWKRMJSA-N 0 3 216.325 0.899 20 0 BCADHN CO[C@@H](CN)C(=O)NCCC1(C)CC1 ZINC000423924342 387451066 /nfs/dbraw/zinc/45/10/66/387451066.db2.gz DMVAYCZZRIMNRH-QMMMGPOBSA-N 0 3 200.282 0.267 20 0 BCADHN CC1(C)CN(CCN2CCCOCC2)C[C@@H]1O ZINC000361382902 387451937 /nfs/dbraw/zinc/45/19/37/387451937.db2.gz YHWQOWCOQAOTLH-LBPRGKRZSA-N 0 3 242.363 0.411 20 0 BCADHN COC1(CNC(=O)N[C@@H](C)CN(C)C)CCC1 ZINC000354953343 387452560 /nfs/dbraw/zinc/45/25/60/387452560.db2.gz KQRZQKGXQAIJNJ-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN CN(CCNC(=O)NC[C@@H](O)C1CC1)C1CC1 ZINC000352729674 387462301 /nfs/dbraw/zinc/46/23/01/387462301.db2.gz APXNNFDNTNUUCU-LLVKDONJSA-N 0 3 241.335 0.151 20 0 BCADHN CC1(CCNC(=O)C[C@H]2CNCCO2)CC1 ZINC000423932105 387453982 /nfs/dbraw/zinc/45/39/82/387453982.db2.gz RIKPSKOXEHAUMB-JTQLQIEISA-N 0 3 226.320 0.671 20 0 BCADHN CCCCCOCC(=O)NC[C@@H]1CNCCO1 ZINC000423986934 387462282 /nfs/dbraw/zinc/46/22/82/387462282.db2.gz GVCWHKQDPBOKDK-NSHDSACASA-N 0 3 244.335 0.298 20 0 BCADHN O=C(c1ccnc(F)c1)N1CCCNCC1 ZINC000374450882 387454539 /nfs/dbraw/zinc/45/45/39/387454539.db2.gz FBKUNJNZUMXISE-UHFFFAOYSA-N 0 3 223.251 0.656 20 0 BCADHN CN(CCOCC1CC1)C(=O)[C@@]1(F)CCNC1 ZINC000374454140 387455008 /nfs/dbraw/zinc/45/50/08/387455008.db2.gz HRHXSIROZZMRPP-GFCCVEGCSA-N 0 3 244.310 0.573 20 0 BCADHN CS[C@H](C)CNC(=O)N[C@H](C)CN(C)C ZINC000354498260 387385143 /nfs/dbraw/zinc/38/51/43/387385143.db2.gz BAURWQVVIBDXOJ-RKDXNWHRSA-N 0 3 233.381 0.987 20 0 BCADHN CN(C)Cc1cccc(C(=O)N2CC(C)(O)C2)c1 ZINC000336561075 387387350 /nfs/dbraw/zinc/38/73/50/387387350.db2.gz ZCVQTTGHQDGRPF-UHFFFAOYSA-N 0 3 248.326 0.955 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)C[C@H]1CCOC1 ZINC000162257585 387387598 /nfs/dbraw/zinc/38/75/98/387387598.db2.gz KWPDQQXCWITNMP-MNOVXSKESA-N 0 3 228.336 0.855 20 0 BCADHN O=C(C1CC1)N1CCCN(CCCCO)CC1 ZINC000121606588 387388228 /nfs/dbraw/zinc/38/82/28/387388228.db2.gz JUVYLDKRUJZRAH-UHFFFAOYSA-N 0 3 240.347 0.703 20 0 BCADHN C[C@@H](O)CN(C)Cc1ccc2c(c1)nnn2C ZINC000361016812 387390014 /nfs/dbraw/zinc/39/00/14/387390014.db2.gz JHMZMIVWTMFJCC-SECBINFHSA-N 0 3 234.303 0.781 20 0 BCADHN CC[C@@H]1CCCN([C@H]2CC(=O)NC2=O)C1 ZINC000515497329 387390650 /nfs/dbraw/zinc/39/06/50/387390650.db2.gz XHJSIOLICNVXQJ-BDAKNGLRSA-N 0 3 210.277 0.524 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H](O)C[C@H]1C ZINC000336565888 387390819 /nfs/dbraw/zinc/39/08/19/387390819.db2.gz IWRNTWWLBNBWSN-ZJUUUORDSA-N 0 3 214.309 0.308 20 0 BCADHN CC(C)CN(C)C(=O)C(=O)N1CCC[C@H]1CN ZINC000423653870 387391819 /nfs/dbraw/zinc/39/18/19/387391819.db2.gz RRNWCKMXRVBUDX-JTQLQIEISA-N 0 3 241.335 0.051 20 0 BCADHN COC[C@H](NC(=O)N[C@@H](C)CN(C)C)C1CC1 ZINC000354532577 387391776 /nfs/dbraw/zinc/39/17/76/387391776.db2.gz KAAAPRAMIJUAGR-ONGXEEELSA-N 0 3 243.351 0.661 20 0 BCADHN COC[C@H](NC(=O)N[C@H](C)CN(C)C)C1CC1 ZINC000354532575 387392447 /nfs/dbraw/zinc/39/24/47/387392447.db2.gz KAAAPRAMIJUAGR-KOLCDFICSA-N 0 3 243.351 0.661 20 0 BCADHN CC[C@H]1CN(CCOC)C[C@@]2(CCOC2)O1 ZINC000373805988 387395672 /nfs/dbraw/zinc/39/56/72/387395672.db2.gz QGYRRMOQTBSALO-NWDGAFQWSA-N 0 3 229.320 0.903 20 0 BCADHN CC(C)(C)NC(=O)CN1CCC[C@H]1CCO ZINC000303743011 387396427 /nfs/dbraw/zinc/39/64/27/387396427.db2.gz WXWNSMFDKCKEOL-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)n1cc(C(=O)N[C@@H](C)CN(C)C)nn1 ZINC000354575752 387397752 /nfs/dbraw/zinc/39/77/52/387397752.db2.gz KGZVIFZPNMUTIB-VIFPVBQESA-N 0 3 239.323 0.539 20 0 BCADHN CC(C)[C@@H]1CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000336578093 387401846 /nfs/dbraw/zinc/40/18/46/387401846.db2.gz LXHLZRBSUIHYIR-RKDXNWHRSA-N 0 3 227.308 0.548 20 0 BCADHN C[C@H](CNC(=O)COC(F)F)N(C)C1CC1 ZINC000352635750 387402433 /nfs/dbraw/zinc/40/24/33/387402433.db2.gz FPIREXCTICWFRU-SSDOTTSWSA-N 0 3 236.262 0.825 20 0 BCADHN CO[C@H](CN)C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000423721367 387402810 /nfs/dbraw/zinc/40/28/10/387402810.db2.gz BRGKMSNJSLXHOZ-GXSJLCMTSA-N 0 3 228.336 0.996 20 0 BCADHN Cc1ccc(NC(=O)COC2CNC2)c(O)c1 ZINC000423715780 387403103 /nfs/dbraw/zinc/40/31/03/387403103.db2.gz ZHDHUEZFNXBWBN-UHFFFAOYSA-N 0 3 236.271 0.628 20 0 BCADHN CC(C)[C@@H](O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000352635101 387403131 /nfs/dbraw/zinc/40/31/31/387403131.db2.gz CBVYQMJKKPSTTM-GXSJLCMTSA-N 0 3 228.336 0.602 20 0 BCADHN C[C@@H](NC(=O)COC1CNC1)c1ccccc1 ZINC000423736150 387404190 /nfs/dbraw/zinc/40/41/90/387404190.db2.gz CUWDEUVXTFXFOP-SNVBAGLBSA-N 0 3 234.299 0.852 20 0 BCADHN CO[C@@H]1CCC[C@H]1CNC(=O)C1(N)CCC1 ZINC000423737755 387405112 /nfs/dbraw/zinc/40/51/12/387405112.db2.gz DDUFEKZKFWDCBI-VHSXEESVSA-N 0 3 226.320 0.799 20 0 BCADHN CCN(CCNC(=O)N[C@@H](C)COC)C1CC1 ZINC000354628851 387406778 /nfs/dbraw/zinc/40/67/78/387406778.db2.gz SUYFTAHBOJAVPR-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(CC)CC(=O)OC ZINC000423746318 387407717 /nfs/dbraw/zinc/40/77/17/387407717.db2.gz QULGBDSWOURBOA-WPRPVWTQSA-N 0 3 230.308 0.381 20 0 BCADHN COCCNCC(=O)NC[C@@H]1CCC[C@@H]1OC ZINC000423745888 387407741 /nfs/dbraw/zinc/40/77/41/387407741.db2.gz NDJVOADUMRGWGU-QWRGUYRKSA-N 0 3 244.335 0.154 20 0 BCADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000423750873 387409295 /nfs/dbraw/zinc/40/92/95/387409295.db2.gz AKCZJQGOXQUWPH-RFZPGFLSSA-N 0 3 240.263 0.118 20 0 BCADHN CCc1ncc(NC(=O)C2(N)CCC2)cn1 ZINC000423751971 387409767 /nfs/dbraw/zinc/40/97/67/387409767.db2.gz ZDDTYIHQSXCGNT-UHFFFAOYSA-N 0 3 220.276 0.859 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC1(C(=O)OC)CC1 ZINC000423758012 387411445 /nfs/dbraw/zinc/41/14/45/387411445.db2.gz DVJLOQQKHGTIAX-BDAKNGLRSA-N 0 3 242.319 0.429 20 0 BCADHN CC(C)(C)[C@@H](O)CNC(=O)C(N)C(F)(F)F ZINC000423759142 387413392 /nfs/dbraw/zinc/41/33/92/387413392.db2.gz ODBIUHZJXKHZDM-NTSWFWBYSA-N 0 3 242.241 0.399 20 0 BCADHN 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CCCC[C@@H](N)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000423767339 387418131 /nfs/dbraw/zinc/41/81/31/387418131.db2.gz WXIGGEJRZVAVSK-NXEZZACHSA-N 0 3 243.351 0.391 20 0 BCADHN CC(C)[C@H](O)CN1CCNC(=O)C[C@@H]1C ZINC000374087055 387418856 /nfs/dbraw/zinc/41/88/56/387418856.db2.gz AHCWXSMGZMBARS-VHSXEESVSA-N 0 3 214.309 0.214 20 0 BCADHN CN1CC=C(CNC(=O)[C@H]2CCCCO2)CC1 ZINC000336594479 387419456 /nfs/dbraw/zinc/41/94/56/387419456.db2.gz WPKPNWVONHCGEM-GFCCVEGCSA-N 0 3 238.331 0.934 20 0 BCADHN O=C(COC1CNC1)NCC[C@@H]1CCCCO1 ZINC000423770947 387420458 /nfs/dbraw/zinc/42/04/58/387420458.db2.gz FAYUDLORZLMXSP-JTQLQIEISA-N 0 3 242.319 0.050 20 0 BCADHN COc1cc(C)cc(CNC(=O)CN)c1 ZINC000423770373 387421322 /nfs/dbraw/zinc/42/13/22/387421322.db2.gz DGKSMFLUBUZMKU-UHFFFAOYSA-N 0 3 208.261 0.579 20 0 BCADHN COC(=O)[C@H]1CC[C@@H](NC(=O)[C@@H](N)C(C)C)C1 ZINC000423778252 387423140 /nfs/dbraw/zinc/42/31/40/387423140.db2.gz CNTMXBWHBIRHCX-AEJSXWLSSA-N 0 3 242.319 0.428 20 0 BCADHN 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387500496 /nfs/dbraw/zinc/50/04/96/387500496.db2.gz GICPYADTHRGCOK-UHFFFAOYSA-N 0 3 246.318 0.977 20 0 BCADHN CC(C)CCOCCN1CC[C@H](O)[C@@H](CO)C1 ZINC000396843428 387501268 /nfs/dbraw/zinc/50/12/68/387501268.db2.gz IVRSBGXUEUEDJZ-OLZOCXBDSA-N 0 3 245.363 0.724 20 0 BCADHN COC[C@@H](C)NC(=O)N(C)CCN(C)C ZINC000355237289 387502901 /nfs/dbraw/zinc/50/29/01/387502901.db2.gz BTWATBNQNSLESN-SECBINFHSA-N 0 3 217.313 0.224 20 0 BCADHN COC(=O)CN1CCN(CC2CCCC2)CC1 ZINC000355245478 387505546 /nfs/dbraw/zinc/50/55/46/387505546.db2.gz UZWHORPXBHPCKK-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CN(CCO)C[C@H](O)COc1ccc(F)cc1 ZINC000005659462 387506288 /nfs/dbraw/zinc/50/62/88/387506288.db2.gz DZWWLBXPZMUJCK-NSHDSACASA-N 0 3 243.278 0.490 20 0 BCADHN COC1(C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000648424624 387506713 /nfs/dbraw/zinc/50/67/13/387506713.db2.gz IOIGPLJDGDOJPR-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN C[C@H](O)CCCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000355276539 387509706 /nfs/dbraw/zinc/50/97/06/387509706.db2.gz HUGHQVGOMCRCES-FIQHERPVSA-N 0 3 240.347 0.733 20 0 BCADHN COC(=O)CN1CCN(CCC2CC2)CC1 ZINC000355300177 387515918 /nfs/dbraw/zinc/51/59/18/387515918.db2.gz ZMBSSYFJEKKVGB-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN COCCOCCN(C)CCC1(O)CCC1 ZINC000396920535 387516494 /nfs/dbraw/zinc/51/64/94/387516494.db2.gz QMXGGIZOHCASIJ-UHFFFAOYSA-N 0 3 231.336 0.886 20 0 BCADHN CC[C@H](C(=O)N1C[C@H](C)C[C@@H](CO)C1)N(C)C ZINC000421992686 387516936 /nfs/dbraw/zinc/51/69/36/387516936.db2.gz XFRQSZLAIUYWSE-IJLUTSLNSA-N 0 3 242.363 0.804 20 0 BCADHN CC[C@H](C(=O)N1C[C@H](CO)C[C@H](C)C1)N(C)C ZINC000421992689 387517693 /nfs/dbraw/zinc/51/76/93/387517693.db2.gz XFRQSZLAIUYWSE-QJPTWQEYSA-N 0 3 242.363 0.804 20 0 BCADHN C(C1CCOCC1)N1CCN2CCOC[C@H]2C1 ZINC000375238874 387519651 /nfs/dbraw/zinc/51/96/51/387519651.db2.gz DOFCEMDXRUGFRX-CYBMUJFWSA-N 0 3 240.347 0.429 20 0 BCADHN CCN1C[C@H](N[C@H]2CCO[C@H]2C)CC1=O ZINC000391473721 387521656 /nfs/dbraw/zinc/52/16/56/387521656.db2.gz ISPUZWMBAWHTHP-AEJSXWLSSA-N 0 3 212.293 0.374 20 0 BCADHN CO[C@H]1CCCN(CCN2CCOC[C@@H]2C)C1 ZINC000192709114 387525382 /nfs/dbraw/zinc/52/53/82/387525382.db2.gz UJJQNFHAQMZXKP-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN c1ncn([C@@H]2CCN(C[C@H]3CCCO3)C2)n1 ZINC000375320910 387526495 /nfs/dbraw/zinc/52/64/95/387526495.db2.gz UPTIRCBMEZVZRK-GHMZBOCLSA-N 0 3 222.292 0.704 20 0 BCADHN C[C@@H](CNC(=O)[C@]1(F)CCNC1)C[C@H](C)O ZINC000305113988 387526733 /nfs/dbraw/zinc/52/67/33/387526733.db2.gz JEGVXQLVLHJGGN-YWVKMMECSA-N 0 3 232.299 0.211 20 0 BCADHN CO[C@H]1CCCN(CCN2CCOC[C@H]2C)C1 ZINC000192709104 387526764 /nfs/dbraw/zinc/52/67/64/387526764.db2.gz UJJQNFHAQMZXKP-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)[C@]1(F)CCNC1 ZINC000305113986 387527199 /nfs/dbraw/zinc/52/71/99/387527199.db2.gz JEGVXQLVLHJGGN-QXEWZRGKSA-N 0 3 232.299 0.211 20 0 BCADHN CC(C)CCN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122429056 387529378 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/nfs/dbraw/zinc/53/71/64/387537164.db2.gz DPCLFKDWCMULKG-UHFFFAOYSA-N 0 3 238.287 0.426 20 0 BCADHN CN1C(=O)C[C@@H](N2CCCC(C)(C)C2)C1=O ZINC000527209957 387537219 /nfs/dbraw/zinc/53/72/19/387537219.db2.gz DNAZOKQCSDRPNP-SECBINFHSA-N 0 3 224.304 0.866 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCSC2)C[C@@H](CO)O1 ZINC000425990603 387537323 /nfs/dbraw/zinc/53/73/23/387537323.db2.gz NLSWFTCLKBLMIE-VWYCJHECSA-N 0 3 231.361 0.821 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCSC2)C[C@H](CO)O1 ZINC000425990602 387537821 /nfs/dbraw/zinc/53/78/21/387537821.db2.gz NLSWFTCLKBLMIE-OUAUKWLOSA-N 0 3 231.361 0.821 20 0 BCADHN c1cnn(CCN2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000374530481 387464107 /nfs/dbraw/zinc/46/41/07/387464107.db2.gz MQROOUMTPKUHRO-NSHDSACASA-N 0 3 246.318 0.881 20 0 BCADHN CCCCO[C@@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000423997194 387464553 /nfs/dbraw/zinc/46/45/53/387464553.db2.gz XUUPCQOGHIMWDY-WDEREUQCSA-N 0 3 244.335 0.296 20 0 BCADHN COC[C@@H](C)N(C)C(=O)NCCN(C)C1CC1 ZINC000352731317 387465408 /nfs/dbraw/zinc/46/54/08/387465408.db2.gz MFXBKGDNJXUJLJ-SNVBAGLBSA-N 0 3 243.351 0.757 20 0 BCADHN Cc1noc(CNC(=O)N[C@H](C)CN(C)C)n1 ZINC000352774803 387473284 /nfs/dbraw/zinc/47/32/84/387473284.db2.gz XADCIPNXYZPLCR-SSDOTTSWSA-N 0 3 241.295 0.127 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@H](N)CCSC ZINC000304399160 387474118 /nfs/dbraw/zinc/47/41/18/387474118.db2.gz GYBSSGIACJQOKK-HTQZYQBOSA-N 0 3 248.348 0.135 20 0 BCADHN C[C@]1(NCC(=O)NC2CC2)CCO[C@@H]1C1CC1 ZINC000374625476 387474243 /nfs/dbraw/zinc/47/42/43/387474243.db2.gz BIBOBFZMRIYDAA-OLZOCXBDSA-N 0 3 238.331 0.812 20 0 BCADHN CC1(C(=O)N2CC[C@H](N3CCCC3)C2)COC1 ZINC000374646192 387476250 /nfs/dbraw/zinc/47/62/50/387476250.db2.gz KSNBTRXUCLYHEC-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN CCC[C@@H](O)CNC(=O)CN(C)CCC ZINC000355094121 387479414 /nfs/dbraw/zinc/47/94/14/387479414.db2.gz FGQLOTJJKRIZDZ-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN CCC[C@H](O)CNC(=O)CN(C)CCC ZINC000355094120 387479866 /nfs/dbraw/zinc/47/98/66/387479866.db2.gz FGQLOTJJKRIZDZ-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN CO[C@@H]1CCCN([C@@H]2CCN(C)C2=O)CC1 ZINC000374691057 387480077 /nfs/dbraw/zinc/48/00/77/387480077.db2.gz CAPZBGKQLLEPIX-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN CN(CCNC(=O)C1=CCOCC1)C1CC1 ZINC000355095995 387480847 /nfs/dbraw/zinc/48/08/47/387480847.db2.gz IAKIKEMSQHWDIJ-UHFFFAOYSA-N 0 3 224.304 0.544 20 0 BCADHN CSCCN(CCO)[C@@H]1CCO[C@@H]1C ZINC000361555667 387486782 /nfs/dbraw/zinc/48/67/82/387486782.db2.gz BTEDMUAURGTPLE-NXEZZACHSA-N 0 3 219.350 0.821 20 0 BCADHN C[C@@]1(C(N)=O)CCN(CCOCC(F)F)C1 ZINC000361555572 387486828 /nfs/dbraw/zinc/48/68/28/387486828.db2.gz BFMFQYYLDZKSJJ-SNVBAGLBSA-N 0 3 236.262 0.465 20 0 BCADHN CN(CCCC1CCOCC1)[C@@H]1COC[C@H]1O ZINC000352796276 387487075 /nfs/dbraw/zinc/48/70/75/387487075.db2.gz UTIYZVIIYWNEMX-CHWSQXEVSA-N 0 3 243.347 0.885 20 0 BCADHN COC(=O)C(C)(C)CCN[C@H](C)C(=O)N(C)C ZINC000355153132 387487071 /nfs/dbraw/zinc/48/70/71/387487071.db2.gz ALIZQKYNDHWASM-SECBINFHSA-N 0 3 244.335 0.642 20 0 BCADHN CN(CCN1CCCCC1)[C@@H]1COC[C@@H]1O ZINC000352794248 387487358 /nfs/dbraw/zinc/48/73/58/387487358.db2.gz QWPKFUILJNJMRI-NEPJUHHUSA-N 0 3 228.336 0.164 20 0 BCADHN CC[C@@H](C(=O)OC)N1CC[C@](C)(C(N)=O)C1 ZINC000361556382 387488194 /nfs/dbraw/zinc/48/81/94/387488194.db2.gz GRQUGGMCTFNFKO-KWQFWETISA-N 0 3 228.292 0.135 20 0 BCADHN CCNC(=O)C(C)(C)NCCC1(O)CCC1 ZINC000396773010 387489983 /nfs/dbraw/zinc/48/99/83/387489983.db2.gz WPOCNCFIJLYKOV-UHFFFAOYSA-N 0 3 228.336 0.796 20 0 BCADHN CCS(=O)(=O)NCCN1CC[C@H]2CCC[C@@H]21 ZINC000355157451 387490823 /nfs/dbraw/zinc/49/08/23/387490823.db2.gz BUEFOAYCTJCQNV-MNOVXSKESA-N 0 3 246.376 0.800 20 0 BCADHN CCN(C)CCNC(=O)Cc1ccncc1 ZINC000355171135 387492856 /nfs/dbraw/zinc/49/28/56/387492856.db2.gz GFVKSUKETQWPLR-UHFFFAOYSA-N 0 3 221.304 0.692 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000336705654 387580663 /nfs/dbraw/zinc/58/06/63/387580663.db2.gz DIVVKOWSAGHMFC-YFKTTZPYSA-N 0 3 238.331 0.907 20 0 BCADHN COc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)c([O-])c1 ZINC000036286784 387583584 /nfs/dbraw/zinc/58/35/84/387583584.db2.gz WPURWSLIGRFULP-MRVPVSSYSA-N 0 3 236.271 0.493 20 0 BCADHN CC[C@H](O)CN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000123574354 387585667 /nfs/dbraw/zinc/58/56/67/387585667.db2.gz GFZDDYFBIMPSJC-MXWKQRLJSA-N 0 3 200.326 0.782 20 0 BCADHN COC(=O)CCN1CCOCC[C@H]1C ZINC000362234320 387587369 /nfs/dbraw/zinc/58/73/69/387587369.db2.gz HSGLMINNVFBWNC-SECBINFHSA-N 0 3 201.266 0.660 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)NCC1CC1 ZINC000528756948 387587912 /nfs/dbraw/zinc/58/79/12/387587912.db2.gz PCVRRSODSIRBQY-XHSYRHOGSA-N 0 3 240.347 0.914 20 0 BCADHN COC(=O)C[C@H]1CSCCN1CCCCO ZINC000123657652 387590486 /nfs/dbraw/zinc/59/04/86/387590486.db2.gz LGJNYTDJTOBWLU-JTQLQIEISA-N 0 3 247.360 0.739 20 0 BCADHN CN(CCN1CCCC1=O)C[C@H]1CCC[C@@H]1O ZINC000305283569 387592897 /nfs/dbraw/zinc/59/28/97/387592897.db2.gz CKQRGAWPPBWBMO-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN CO[C@H](C)[C@H](C)NCc1cnc(N(C)C)n1C ZINC000362297722 387594705 /nfs/dbraw/zinc/59/47/05/387594705.db2.gz DCDZISCWTNFNFS-VHSXEESVSA-N 0 3 240.351 0.999 20 0 BCADHN O=C1C[C@@]2(CCN(CCOCC(F)F)C2)CN1 ZINC000375927981 387595093 /nfs/dbraw/zinc/59/50/93/387595093.db2.gz PDIMMJNHJORCSY-NSHDSACASA-N 0 3 248.273 0.480 20 0 BCADHN COC(=O)C1(O)CCN(CC2CC2)CC1 ZINC000362317533 387595928 /nfs/dbraw/zinc/59/59/28/387595928.db2.gz IKDKOLDVMOWPFE-UHFFFAOYSA-N 0 3 213.277 0.396 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H](N)C2CCC2)C[C@H](C)N1 ZINC000422545934 387596378 /nfs/dbraw/zinc/59/63/78/387596378.db2.gz YDHYEKYQPFFHJB-WCABBAIRSA-N 0 3 225.336 0.323 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]C(C)(C)CC[NH3+])o1 ZINC000422555215 387599454 /nfs/dbraw/zinc/59/94/54/387599454.db2.gz ZUVMZFINFBMCFJ-UHFFFAOYSA-N 0 3 246.332 0.994 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000376001586 387600420 /nfs/dbraw/zinc/60/04/20/387600420.db2.gz YMCIFVTXJWQRHE-SDDRHHMPSA-N 0 3 240.347 0.556 20 0 BCADHN CC[C@@H](C(=O)OC)N1CC[C@](C)(C(=O)NC)C1 ZINC000430261997 387602536 /nfs/dbraw/zinc/60/25/36/387602536.db2.gz WTSJIHRGVVVKBE-CABZTGNLSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@H]2OCC[C@H]2C1 ZINC000376033375 387603031 /nfs/dbraw/zinc/60/30/31/387603031.db2.gz TUMDSJSGBXCNMK-OUAUKWLOSA-N 0 3 226.320 0.574 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@H]2OCC[C@H]2C1 ZINC000376043221 387603477 /nfs/dbraw/zinc/60/34/77/387603477.db2.gz GXDYDBBFLIPGCT-JFGNBEQYSA-N 0 3 238.331 0.764 20 0 BCADHN CC(C)C[C@@H](CCO)CNC(=O)[C@@H]1C[C@@H]1N ZINC000424127216 387604035 /nfs/dbraw/zinc/60/40/35/387604035.db2.gz UTHSUIOIHHVRQT-MXWKQRLJSA-N 0 3 228.336 0.495 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N1CCN(C)CC[C@@H]1C ZINC000356002253 387604861 /nfs/dbraw/zinc/60/48/61/387604861.db2.gz COFITVDGFCFMNM-SRVKXCTJSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@@H](C)CNC(=O)NC[C@H]1CNCCO1 ZINC000422608930 387606939 /nfs/dbraw/zinc/60/69/39/387606939.db2.gz NJGMXQSBLYTFBJ-NXEZZACHSA-N 0 3 229.324 0.320 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)c3ccnnc3)[C@@H]2C1 ZINC000425048665 387607887 /nfs/dbraw/zinc/60/78/87/387607887.db2.gz CHZQARXMDSUIQG-NWDGAFQWSA-N 0 3 246.314 0.643 20 0 BCADHN COC[C@H](C)CNC(=O)CNC[C@@H]1CCCO1 ZINC000430290735 387608334 /nfs/dbraw/zinc/60/83/34/387608334.db2.gz NXIJTTRSLUWPDL-MNOVXSKESA-N 0 3 244.335 0.154 20 0 BCADHN CC[C@H](C(=O)NCC1(C(=O)OC)CC1)N(C)C ZINC000188709200 387609654 /nfs/dbraw/zinc/60/96/54/387609654.db2.gz GTNHKPPAGFBMTQ-SECBINFHSA-N 0 3 242.319 0.396 20 0 BCADHN CCN(C)CCNC(=O)CCCCOC ZINC000124300358 387610189 /nfs/dbraw/zinc/61/01/89/387610189.db2.gz QEPNGSRHYFWMPH-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN CC[C@H]1CC[C@H](C(=O)N(C)CCN(C)C)O1 ZINC000362415996 387610427 /nfs/dbraw/zinc/61/04/27/387610427.db2.gz OIZCDFINZKOSFG-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@@H](C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000422633295 387611678 /nfs/dbraw/zinc/61/16/78/387611678.db2.gz OBARGSKNFOKFAR-HRDYMLBCSA-N 0 3 202.273 0.849 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN(C2CCC2)C1 ZINC000376160553 387612834 /nfs/dbraw/zinc/61/28/34/387612834.db2.gz DAVGVUSPOYMDEN-SECBINFHSA-N 0 3 218.322 0.162 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000430377073 387613665 /nfs/dbraw/zinc/61/36/65/387613665.db2.gz NONCUEBWCPVNIV-VHSXEESVSA-N 0 3 241.335 0.097 20 0 BCADHN CO[C@@]1(CNCc2cn(C)nc2C)CCOC1 ZINC000122906202 387616401 /nfs/dbraw/zinc/61/64/01/387616401.db2.gz FKDRDYSADOVWQF-GFCCVEGCSA-N 0 3 239.319 0.624 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C ZINC000356087902 387616359 /nfs/dbraw/zinc/61/63/59/387616359.db2.gz TYJPGNGWTRIOPL-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN CSCC[C@@H](C)N(C)C(=O)COC1CNC1 ZINC000430416275 387616716 /nfs/dbraw/zinc/61/67/16/387616716.db2.gz RPBWIJSTJNGOTC-SECBINFHSA-N 0 3 246.376 0.575 20 0 BCADHN CC[C@@H](C)C[C@@H](C)NC(=O)COC1CNC1 ZINC000430412214 387616902 /nfs/dbraw/zinc/61/69/02/387616902.db2.gz WUDSNPUWXQRINL-NXEZZACHSA-N 0 3 228.336 0.916 20 0 BCADHN CCN(C)C(=O)CCN1CCOCC[C@@H]1C ZINC000362475753 387616984 /nfs/dbraw/zinc/61/69/84/387616984.db2.gz ZYNIXJHRYVMZBP-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCN(CC)[C@H](C)CNS(=O)(=O)C1CC1 ZINC000122910033 387617613 /nfs/dbraw/zinc/61/76/13/387617613.db2.gz NAOTYLWSSJJKLW-SECBINFHSA-N 0 3 234.365 0.799 20 0 BCADHN CN(C)CCN(C)C(=O)NC[C@H]1CCCCO1 ZINC000356120192 387617668 /nfs/dbraw/zinc/61/76/68/387617668.db2.gz UKLRADHCVFNXPJ-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN C[C@@H](CCCO)NC(=O)CNC[C@H]1CCCO1 ZINC000430429399 387617908 /nfs/dbraw/zinc/61/79/08/387617908.db2.gz XBNRQBYAEGOSHX-WDEREUQCSA-N 0 3 244.335 0.032 20 0 BCADHN CN(C)CCN(C)C(=O)NC[C@H]1CCOC1 ZINC000356146445 387620412 /nfs/dbraw/zinc/62/04/12/387620412.db2.gz FMLVJBNRSHVENZ-SNVBAGLBSA-N 0 3 229.324 0.226 20 0 BCADHN CC[C@@H](C(=O)N1CCO[C@@H](C2CC2)C1)N(C)C ZINC000362499287 387620998 /nfs/dbraw/zinc/62/09/98/387620998.db2.gz OEHWPQZWUMIVCR-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CC1(CNC(=O)COC2CNC2)CCCC1 ZINC000430501317 387621244 /nfs/dbraw/zinc/62/12/44/387621244.db2.gz GTALWCPXRFPDCD-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](CO)CC(F)F)N(C)C ZINC000430507610 387622032 /nfs/dbraw/zinc/62/20/32/387622032.db2.gz DFRXGVSEQGCRHL-SFYZADRCSA-N 0 3 238.278 0.459 20 0 BCADHN CN1CCC(CC(=O)NCCCC(N)=O)CC1 ZINC000362564983 387629643 /nfs/dbraw/zinc/62/96/43/387629643.db2.gz PWALVZOIZLXAPD-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN CC(C)CCNC(=O)CNC[C@H]1CCCO1 ZINC000042211740 387622363 /nfs/dbraw/zinc/62/23/63/387622363.db2.gz KNQSHCUPJNEPRM-LLVKDONJSA-N 0 3 228.336 0.917 20 0 BCADHN CCN(C)C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000376344871 387622724 /nfs/dbraw/zinc/62/27/24/387622724.db2.gz VXAPZROHQXWACV-LLVKDONJSA-N 0 3 243.351 0.447 20 0 BCADHN C[C@@H]1CC[C@@H](NC(=O)COC2CNC2)[C@@H](C)C1 ZINC000430520309 387623649 /nfs/dbraw/zinc/62/36/49/387623649.db2.gz RYVWITQHMXTRPD-JFGNBEQYSA-N 0 3 240.347 0.916 20 0 BCADHN CC1(C)C[C@@H]1CNC(=O)CNC[C@H]1CCCO1 ZINC000430521459 387623922 /nfs/dbraw/zinc/62/39/22/387623922.db2.gz DKMATRPKCLYMRQ-GHMZBOCLSA-N 0 3 240.347 0.917 20 0 BCADHN CNS(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000376352076 387625542 /nfs/dbraw/zinc/62/55/42/387625542.db2.gz OGNNMRPDEOPNOI-VHSXEESVSA-N 0 3 247.364 0.009 20 0 BCADHN CNCC(=O)N[C@@H](C)Cc1cccc(OC)c1 ZINC000430528623 387625627 /nfs/dbraw/zinc/62/56/27/387625627.db2.gz ZMNQQFMHIRSMQF-JTQLQIEISA-N 0 3 236.315 0.962 20 0 BCADHN C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCOC2)CCN1C ZINC000124629392 387625994 /nfs/dbraw/zinc/62/59/94/387625994.db2.gz DQUHRVULINFIKZ-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@H](C(=O)N(C)C[C@H]1CCCN1C)N(C)C ZINC000422038871 387545141 /nfs/dbraw/zinc/54/51/41/387545141.db2.gz QSDGLYUZQHBILJ-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)CC1(O)CCC1 ZINC000422036420 387545661 /nfs/dbraw/zinc/54/56/61/387545661.db2.gz NOJUMSPDGOVLCI-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](CO)N1CCCN(Cc2ncc[nH]2)CC1 ZINC000375498336 387545902 /nfs/dbraw/zinc/54/59/02/387545902.db2.gz RWYVOLBRWPTMCW-LLVKDONJSA-N 0 3 238.335 0.298 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1CC[C@@H](O)C1 ZINC000422037476 387545931 /nfs/dbraw/zinc/54/59/31/387545931.db2.gz PFOKVPKMCDASIQ-GRYCIOLGSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CCN(C[C@H]2CCCOC2)[C@H](C(N)=O)C1 ZINC000426202824 387549077 /nfs/dbraw/zinc/54/90/77/387549077.db2.gz WUICLIUVKQKUAG-UTUOFQBUSA-N 0 3 240.347 0.999 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)CCCC(N)=O)C1 ZINC000361882089 387549283 /nfs/dbraw/zinc/54/92/83/387549283.db2.gz ZCZFDEVLUBRDLD-SNVBAGLBSA-N 0 3 241.335 0.195 20 0 BCADHN CN([C@@H]1CCN(C)C1=O)[C@@H]1CCCC[C@H]1O ZINC000426239848 387550892 /nfs/dbraw/zinc/55/08/92/387550892.db2.gz PYWSCHYBFKRHBK-GMTAPVOTSA-N 0 3 226.320 0.452 20 0 BCADHN CCN(CCC(C)(C)OC)CC(N)=O ZINC000355565384 387552184 /nfs/dbraw/zinc/55/21/84/387552184.db2.gz SUNMUIHLUOKHDF-UHFFFAOYSA-N 0 3 202.298 0.609 20 0 BCADHN CC[C@H](C(=O)NCC[C@@H](O)CC)N(C)C ZINC000305105838 387553966 /nfs/dbraw/zinc/55/39/66/387553966.db2.gz CYXLFYGQJBJWPL-VHSXEESVSA-N 0 3 216.325 0.604 20 0 BCADHN CO[C@H](C)CN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375568008 387554383 /nfs/dbraw/zinc/55/43/83/387554383.db2.gz SWFJSJNFJWEAER-MWLCHTKSSA-N 0 3 228.292 0.596 20 0 BCADHN COc1ncccc1NC(=O)[C@]1(F)CCNC1 ZINC000119531642 387555513 /nfs/dbraw/zinc/55/55/13/387555513.db2.gz SSMPYMKNEHTHAX-NSHDSACASA-N 0 3 239.250 0.730 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@H]1CCSC1 ZINC000355593529 387555863 /nfs/dbraw/zinc/55/58/63/387555863.db2.gz CKKGIABDOHJLEF-NXEZZACHSA-N 0 3 245.392 0.989 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000424117508 387558882 /nfs/dbraw/zinc/55/88/82/387558882.db2.gz CIFRJYVUHOCDLX-DMDPSCGWSA-N 0 3 238.331 0.753 20 0 BCADHN C[C@H](C(=O)N(C)CCO)N1CCCCCC1 ZINC000305128045 387560106 /nfs/dbraw/zinc/56/01/06/387560106.db2.gz DIJLPMSPKQQDAZ-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@]12CCOC2 ZINC000422062941 387561649 /nfs/dbraw/zinc/56/16/49/387561649.db2.gz CSJWTAOPIPXNJG-GFCCVEGCSA-N 0 3 226.320 0.720 20 0 BCADHN CCc1cccc(NC(=O)C(=O)NCCN)c1 ZINC000037243178 387562618 /nfs/dbraw/zinc/56/26/18/387562618.db2.gz VTPGJWWZOZIDBD-UHFFFAOYSA-N 0 3 235.287 0.262 20 0 BCADHN CCCCN(CCCC)C(=O)C(=O)NCCN ZINC000037243953 387563244 /nfs/dbraw/zinc/56/32/44/387563244.db2.gz KTDLIZRRGSPWIS-UHFFFAOYSA-N 0 3 243.351 0.490 20 0 BCADHN CN(C)CC1(NC(=O)COC(F)F)CCC1 ZINC000355664984 387564147 /nfs/dbraw/zinc/56/41/47/387564147.db2.gz MLLLWEQMTOAHSV-UHFFFAOYSA-N 0 3 236.262 0.826 20 0 BCADHN C[C@H](F)CCN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000375663796 387564712 /nfs/dbraw/zinc/56/47/12/387564712.db2.gz KTKNOGYBUCYRRD-GUBZILKMSA-N 0 3 230.283 0.324 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2cncnc2)C1 ZINC000355680365 387566194 /nfs/dbraw/zinc/56/61/94/387566194.db2.gz LGAYTKQJAAQGAR-LLVKDONJSA-N 0 3 220.276 0.174 20 0 BCADHN C[C@H](CNC(=O)c1cccnn1)N(C)C1CC1 ZINC000528396892 387566231 /nfs/dbraw/zinc/56/62/31/387566231.db2.gz SOVITOBIACXUMU-SECBINFHSA-N 0 3 234.303 0.689 20 0 BCADHN C[C@@H](NC[C@@H](O)CN(C)C)c1ccncc1 ZINC000037889167 387566864 /nfs/dbraw/zinc/56/68/64/387566864.db2.gz ZLEUIBUOCKWFFF-ZYHUDNBSSA-N 0 3 223.320 0.655 20 0 BCADHN C[C@@H](NC[C@@H](O)Cn1cccn1)c1cccnc1 ZINC000037889097 387567401 /nfs/dbraw/zinc/56/74/01/387567401.db2.gz YKJXSAUIQUNQTI-DGCLKSJQSA-N 0 3 246.314 0.990 20 0 BCADHN C[C@H](NC[C@@H](O)CN(C)C)c1cccnc1 ZINC000037889092 387568132 /nfs/dbraw/zinc/56/81/32/387568132.db2.gz ZUUOCBFUDYMENO-CMPLNLGQSA-N 0 3 223.320 0.655 20 0 BCADHN CC[C@@H](C(=O)N1CCC(CO)CC1)N(C)C ZINC000305164993 387569090 /nfs/dbraw/zinc/56/90/90/387569090.db2.gz OGYHRPVJBNROAW-NSHDSACASA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)NC[C@@H]1CNCCO1 ZINC000418773240 387573560 /nfs/dbraw/zinc/57/35/60/387573560.db2.gz UABYEYQQKDUBMS-MNOVXSKESA-N 0 3 243.351 0.662 20 0 BCADHN CNS(=O)(=O)[C@H]1CCN(CC[C@@H](C)F)C1 ZINC000375717872 387573645 /nfs/dbraw/zinc/57/36/45/387573645.db2.gz QJORJLNVIUMGSF-BDAKNGLRSA-N 0 3 238.328 0.358 20 0 BCADHN CNS(=O)(=O)[C@H]1CCN(CC[C@H](C)F)C1 ZINC000375717879 387574730 /nfs/dbraw/zinc/57/47/30/387574730.db2.gz QJORJLNVIUMGSF-IUCAKERBSA-N 0 3 238.328 0.358 20 0 BCADHN C[C@@H]1CC[C@@H](CN2CCOC[C@H](O)C2)O1 ZINC000399884146 387574939 /nfs/dbraw/zinc/57/49/39/387574939.db2.gz ZOULVVYGSKJVKD-MXWKQRLJSA-N 0 3 215.293 0.247 20 0 BCADHN C[C@H](O)CCN(C)C(=O)NCCN(C)C1CC1 ZINC000426479670 387575209 /nfs/dbraw/zinc/57/52/09/387575209.db2.gz MMCUOZHMHIEQRG-JTQLQIEISA-N 0 3 243.351 0.493 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCCCCF ZINC000362115631 387575333 /nfs/dbraw/zinc/57/53/33/387575333.db2.gz YDNXSEAWBKVWCX-SECBINFHSA-N 0 3 219.304 0.985 20 0 BCADHN C[C@@H]1CC[C@@H](CN2CCOC[C@@H](O)C2)O1 ZINC000399884151 387575324 /nfs/dbraw/zinc/57/53/24/387575324.db2.gz ZOULVVYGSKJVKD-VWYCJHECSA-N 0 3 215.293 0.247 20 0 BCADHN O[C@H]1COCCN(CCCCCF)C1 ZINC000399925386 387577312 /nfs/dbraw/zinc/57/73/12/387577312.db2.gz VZKPCUMNVBUGJM-SNVBAGLBSA-N 0 3 205.273 0.819 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@H](O)[C@H]1CCCO1 ZINC000527756942 387694261 /nfs/dbraw/zinc/69/42/61/387694261.db2.gz HKESHKKPLZMZGH-NWDGAFQWSA-N 0 3 239.319 0.656 20 0 BCADHN COC[C@@](C)(CCO)NCC1=CCCOC1 ZINC000124804208 387633367 /nfs/dbraw/zinc/63/33/67/387633367.db2.gz ZYCIAJPECFAGKY-GFCCVEGCSA-N 0 3 229.320 0.710 20 0 BCADHN C[C@@H](C(=O)N(C)CCO)N1[C@H](C)CC[C@H]1C ZINC000305716767 387634456 /nfs/dbraw/zinc/63/44/56/387634456.db2.gz HEZRHGVXZKDTGY-MXWKQRLJSA-N 0 3 228.336 0.698 20 0 BCADHN C[C@H](N[C@@H]1CCc2ccccc2OC1)C(N)=O ZINC000376469583 387635983 /nfs/dbraw/zinc/63/59/83/387635983.db2.gz SKQMSVRZROPGIK-GXSJLCMTSA-N 0 3 234.299 0.844 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H](CCO)c1ccccc1 ZINC000424132735 387636313 /nfs/dbraw/zinc/63/63/13/387636313.db2.gz WSYKAAAZPZQNGS-FRRDWIJNSA-N 0 3 248.326 0.616 20 0 BCADHN CN(C)CCN(C(=O)CC(C)(C)O)C1CC1 ZINC000356277541 387637251 /nfs/dbraw/zinc/63/72/51/387637251.db2.gz INPFOVQJZRHFHW-UHFFFAOYSA-N 0 3 228.336 0.700 20 0 BCADHN CN(CCNC(=O)[C@](C)(O)C1CCC1)C1CC1 ZINC000362613119 387639303 /nfs/dbraw/zinc/63/93/03/387639303.db2.gz CMXIUHUAGSHBOE-CYBMUJFWSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)c1ncc2c(n1)CCN(C(=O)[C@@H](C)N)C2 ZINC000527615140 387639629 /nfs/dbraw/zinc/63/96/29/387639629.db2.gz QKQIPFLIFOTNMT-SECBINFHSA-N 0 3 248.330 0.832 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)Cn1cncn1)N(C)C ZINC000124982507 387639718 /nfs/dbraw/zinc/63/97/18/387639718.db2.gz RJLSZPHDAKSUGE-ZJUUUORDSA-N 0 3 239.323 0.123 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000123035670 387639704 /nfs/dbraw/zinc/63/97/04/387639704.db2.gz GJOHLEKSPNFYNN-VGMNWLOBSA-N 0 3 227.308 0.548 20 0 BCADHN CCC1(CO)CCN([C@H]2CCN(C)C2=O)CC1 ZINC000305734441 387639862 /nfs/dbraw/zinc/63/98/62/387639862.db2.gz LKFGRJXUWBCWGI-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN COC[C@H](O)CN1CCC(c2cn[nH]c2)CC1 ZINC000367227476 387640487 /nfs/dbraw/zinc/64/04/87/387640487.db2.gz ZEDHIOFYERGMEA-GFCCVEGCSA-N 0 3 239.319 0.596 20 0 BCADHN CN(C)CCN(C(=O)C[C@@H]1CCOC1)C1CC1 ZINC000356292589 387640952 /nfs/dbraw/zinc/64/09/52/387640952.db2.gz QRBIZHKDNBKJBL-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2COC[C@H]21)N(C)C ZINC000376486367 387642290 /nfs/dbraw/zinc/64/22/90/387642290.db2.gz HJBIXIZHCUVEOI-WISYIIOYSA-N 0 3 240.347 0.581 20 0 BCADHN CC(C)c1nc2c(n1C)CCN(C(=O)CN)C2 ZINC000430709361 387643096 /nfs/dbraw/zinc/64/30/96/387643096.db2.gz NDHNWGDZYBWNIQ-UHFFFAOYSA-N 0 3 236.319 0.387 20 0 BCADHN CC[C@@H](C(=O)NCCN(C)CCOC)N(C)C ZINC000125093675 387644274 /nfs/dbraw/zinc/64/42/74/387644274.db2.gz DMSOCBQREOQBHX-NSHDSACASA-N 0 3 245.367 0.021 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C(=O)[C@H](N)C(C)(C)C ZINC000125199241 387646666 /nfs/dbraw/zinc/64/66/66/387646666.db2.gz FGBIFMYLWBRNHU-IUCAKERBSA-N 0 3 244.335 0.627 20 0 BCADHN CNCC(=O)NCCNc1cccc(C)n1 ZINC000430734221 387647712 /nfs/dbraw/zinc/64/77/12/387647712.db2.gz UWLHQVDPEMEQJK-UHFFFAOYSA-N 0 3 222.292 0.138 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000424134842 387648107 /nfs/dbraw/zinc/64/81/07/387648107.db2.gz OCTMCIWPFKTNHA-VHSXEESVSA-N 0 3 243.270 0.553 20 0 BCADHN CCN(C)CCNC(=O)c1cc(OC)no1 ZINC000125251220 387648863 /nfs/dbraw/zinc/64/88/63/387648863.db2.gz BNJKVMJAFSMDHF-UHFFFAOYSA-N 0 3 227.264 0.365 20 0 BCADHN C[C@@H]1[C@H](C(=O)NCCN(C)C)[C@H]1C1CC1 ZINC000527642781 387649636 /nfs/dbraw/zinc/64/96/36/387649636.db2.gz STQBRDAFFWNMRQ-GDPRMGEGSA-N 0 3 210.321 0.956 20 0 BCADHN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCCN(C)C ZINC000527642786 387649790 /nfs/dbraw/zinc/64/97/90/387649790.db2.gz STQBRDAFFWNMRQ-LSJOCFKGSA-N 0 3 210.321 0.956 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@H]1CCCO1 ZINC000422748324 387652974 /nfs/dbraw/zinc/65/29/74/387652974.db2.gz UCRSHQWBZWCHQH-OUAUKWLOSA-N 0 3 242.319 0.049 20 0 BCADHN COC[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424135115 387653127 /nfs/dbraw/zinc/65/31/27/387653127.db2.gz IWPSUPMIFDYMFR-AEJSXWLSSA-N 0 3 212.293 0.219 20 0 BCADHN C[C@@H]1OCC[C@@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000125348974 387653411 /nfs/dbraw/zinc/65/34/11/387653411.db2.gz KBMIQCJWKYBXQD-DCAQKATOSA-N 0 3 242.319 0.049 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000430804411 387653949 /nfs/dbraw/zinc/65/39/49/387653949.db2.gz DNZCJIMHMSTNCK-RKDXNWHRSA-N 0 3 237.307 0.357 20 0 BCADHN CSCCCCNC(=O)[C@@H]1C[C@@H]1N ZINC000424135801 387656965 /nfs/dbraw/zinc/65/69/65/387656965.db2.gz ZWUXVBQOQNKCMV-SFYZADRCSA-N 0 3 202.323 0.593 20 0 BCADHN Cc1cc(CNC[C@]2(O)CCOC2)ccn1 ZINC000527688097 387658333 /nfs/dbraw/zinc/65/83/33/387658333.db2.gz RKDVRUVJXDFLQI-GFCCVEGCSA-N 0 3 222.288 0.631 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000430890636 387658556 /nfs/dbraw/zinc/65/85/56/387658556.db2.gz RHEYCIBDLHKVTP-RYUDHWBXSA-N 0 3 239.363 0.665 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@@H]1NCCCSC ZINC000422754630 387659565 /nfs/dbraw/zinc/65/95/65/387659565.db2.gz JQAMJSGKIRCEJM-UWVGGRQHSA-N 0 3 246.376 0.623 20 0 BCADHN Cn1nncc1CN[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000376642248 387659685 /nfs/dbraw/zinc/65/96/85/387659685.db2.gz NHFSYUXDJFWDRB-GRYCIOLGSA-N 0 3 248.330 0.862 20 0 BCADHN CC(C)Cn1ccnc1CNC(=O)[C@@H]1C[C@@H]1N ZINC000424136144 387660915 /nfs/dbraw/zinc/66/09/15/387660915.db2.gz ABXYQIREIDAURU-ZJUUUORDSA-N 0 3 236.319 0.503 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C[C@@H](C)O ZINC000125635826 387663265 /nfs/dbraw/zinc/66/32/65/387663265.db2.gz IPEUPZQTECEVBG-SECBINFHSA-N 0 3 202.298 0.166 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@@]1(F)CCNC1 ZINC000376695964 387663454 /nfs/dbraw/zinc/66/34/54/387663454.db2.gz TZGJDDUZNUGFCS-LLVKDONJSA-N 0 3 246.282 0.148 20 0 BCADHN CN(C)CCn1nnnc1SC1CCC1 ZINC000430960983 387665876 /nfs/dbraw/zinc/66/58/76/387665876.db2.gz AWFDYNYYQJLKEQ-UHFFFAOYSA-N 0 3 227.337 0.879 20 0 BCADHN OCCCCN(C[C@H]1COCCO1)C1CC1 ZINC000430989221 387668004 /nfs/dbraw/zinc/66/80/04/387668004.db2.gz OKZOUPRVWWPQDX-LBPRGKRZSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@@H](NC(=O)[C@@]1(F)CCNC1)c1cnn(C)c1 ZINC000376791239 387669514 /nfs/dbraw/zinc/66/95/14/387669514.db2.gz MRAZCTXOSJXWDT-LDYMZIIASA-N 0 3 240.282 0.299 20 0 BCADHN CCS(=O)(=O)NCCN1[C@@H](C)CC[C@@H]1C ZINC000123231181 387670173 /nfs/dbraw/zinc/67/01/73/387670173.db2.gz MLKVHCDLEYHHAO-UWVGGRQHSA-N 0 3 234.365 0.799 20 0 BCADHN CCN(CCO)CCNC(=O)[C@]1(C)C[C@@H]1F ZINC000424791116 387670200 /nfs/dbraw/zinc/67/02/00/387670200.db2.gz XYLZUFOTSBGNAN-GXSJLCMTSA-N 0 3 232.299 0.165 20 0 BCADHN CCC[C@@H](O)CNC(=O)CC1CCN(C)CC1 ZINC000362908012 387670327 /nfs/dbraw/zinc/67/03/27/387670327.db2.gz DEKWXCGHACLALM-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN C[NH2+]CC(=O)N1CCC[C@H](c2nnc(C)[n-]2)C1 ZINC000431025444 387670824 /nfs/dbraw/zinc/67/08/24/387670824.db2.gz OLYHZOHAKNDMNE-VIFPVBQESA-N 0 3 237.307 0.039 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@]1(C)C[C@@H]1F ZINC000424791122 387671513 /nfs/dbraw/zinc/67/15/13/387671513.db2.gz XYLZUFOTSBGNAN-ONGXEEELSA-N 0 3 232.299 0.165 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000356549157 387672143 /nfs/dbraw/zinc/67/21/43/387672143.db2.gz NEQRHDSBJGXWGL-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(Cc1cnn(C)c1)C(=O)[C@@H](C)N ZINC000431046497 387673466 /nfs/dbraw/zinc/67/34/66/387673466.db2.gz DBRLRQXTUGFTEJ-MRVPVSSYSA-N 0 3 210.281 0.116 20 0 BCADHN CNCC(=O)Nc1ccccc1Cn1cncn1 ZINC000431058270 387673655 /nfs/dbraw/zinc/67/36/55/387673655.db2.gz MDUAFZQZTQGKJY-UHFFFAOYSA-N 0 3 245.286 0.484 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC[C@]2(CCOC2)C1 ZINC000451909291 387674565 /nfs/dbraw/zinc/67/45/65/387674565.db2.gz LASVIFZNTYDVNA-OLZOCXBDSA-N 0 3 241.331 0.829 20 0 BCADHN CCOC[C@@H]1CCCN(CC(=O)N2CCC2)C1 ZINC000356575017 387677906 /nfs/dbraw/zinc/67/79/06/387677906.db2.gz KBCSHRMHDUNKCZ-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN CCn1nncc1CN[C@@H]1CN(C)C[C@H]1C ZINC000527729585 387678992 /nfs/dbraw/zinc/67/89/92/387678992.db2.gz ZNHUPAXAHQNSAU-MWLCHTKSSA-N 0 3 223.324 0.338 20 0 BCADHN CC[C@@H](F)CN1CCC(C(N)=O)CC1 ZINC000440716794 387680065 /nfs/dbraw/zinc/68/00/65/387680065.db2.gz ZGGKXXKKOQFBAJ-SECBINFHSA-N 0 3 202.273 0.932 20 0 BCADHN CCn1nncc1CN[C@H]1CCO[C@@H](C)C1 ZINC000527728732 387680486 /nfs/dbraw/zinc/68/04/86/387680486.db2.gz SFBLIUNTLBNXPS-UWVGGRQHSA-N 0 3 224.308 0.955 20 0 BCADHN CCn1nncc1CN[C@H]1CN(C)C[C@@H]1C ZINC000527729588 387680942 /nfs/dbraw/zinc/68/09/42/387680942.db2.gz ZNHUPAXAHQNSAU-ONGXEEELSA-N 0 3 223.324 0.338 20 0 BCADHN CNc1ccc(C(=O)N[C@H](C)CN(C)C)cn1 ZINC000126387579 387681041 /nfs/dbraw/zinc/68/10/41/387681041.db2.gz CBWQWGNHNMYGDX-SECBINFHSA-N 0 3 236.319 0.803 20 0 BCADHN Cc1cc(CN[C@@]2(CO)CCOC2)ccn1 ZINC000527690756 387683988 /nfs/dbraw/zinc/68/39/88/387683988.db2.gz GPXNKGRVZVNIOJ-GFCCVEGCSA-N 0 3 222.288 0.631 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCCC(C)(C)O ZINC000451934269 387684448 /nfs/dbraw/zinc/68/44/48/387684448.db2.gz GLAWEKMLIXZWGW-NXEZZACHSA-N 0 3 217.309 0.541 20 0 BCADHN COC[C@](C)(CC(=O)OC)NCCC(C)(C)O ZINC000123343748 387684575 /nfs/dbraw/zinc/68/45/75/387684575.db2.gz ALWSTRWVMMQOAX-LBPRGKRZSA-N 0 3 247.335 0.705 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1cn2ccccc2n1 ZINC000424139449 387685506 /nfs/dbraw/zinc/68/55/06/387685506.db2.gz VHJXAMNFBZLUMQ-WDEREUQCSA-N 0 3 244.298 0.340 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@H](O)C(C)(C)C ZINC000451945728 387685522 /nfs/dbraw/zinc/68/55/22/387685522.db2.gz JRBQWYGKNOZLKC-MXWKQRLJSA-N 0 3 231.336 0.787 20 0 BCADHN C[C@H](O)C(C)(C)NC(=O)CC1CCN(C)CC1 ZINC000362992446 387685760 /nfs/dbraw/zinc/68/57/60/387685760.db2.gz KYDMFJMMOFNZJT-JTQLQIEISA-N 0 3 242.363 0.994 20 0 BCADHN COC[C@@H](N[C@H]1CCC(=O)N(C)C1=O)C(C)C ZINC000126537471 387686179 /nfs/dbraw/zinc/68/61/79/387686179.db2.gz HPDLHNUUKHPEJI-VHSXEESVSA-N 0 3 242.319 0.394 20 0 BCADHN C[C@H](CCO)NC(=O)C12CCCN1CCC2 ZINC000377071291 387688386 /nfs/dbraw/zinc/68/83/86/387688386.db2.gz BLBKJBSBEOIGLC-SNVBAGLBSA-N 0 3 226.320 0.502 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)N[C@H](CO)CN1CCCC1 ZINC000640320361 387689062 /nfs/dbraw/zinc/68/90/62/387689062.db2.gz PTBFRYSZZPALAU-GRYCIOLGSA-N 0 3 240.347 0.605 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000377168610 387696636 /nfs/dbraw/zinc/69/66/36/387696636.db2.gz KDJUMKKDSNMTNI-SNVBAGLBSA-N 0 3 241.335 0.052 20 0 BCADHN COCCCN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451980783 387692121 /nfs/dbraw/zinc/69/21/21/387692121.db2.gz AGWSZCPPPGPOEM-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN CC[C@](C)(NCC1(CC(=O)OC)CC1)C(N)=O ZINC000440777601 387692603 /nfs/dbraw/zinc/69/26/03/387692603.db2.gz ZSFRGYDTGTUOEJ-NSHDSACASA-N 0 3 242.319 0.573 20 0 BCADHN Cc1cc(CNC[C@@H](O)[C@H]2CCCO2)n(C)n1 ZINC000527753404 387692612 /nfs/dbraw/zinc/69/26/12/387692612.db2.gz AOGBGMKYFQVTKF-VXGBXAGGSA-N 0 3 239.319 0.358 20 0 BCADHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cnnn4C)[C@H]1[C@H]3C2 ZINC000367688584 387743809 /nfs/dbraw/zinc/74/38/09/387743809.db2.gz PIKVQIXSRZJDQW-XDMBYNFVSA-N 0 3 248.330 0.670 20 0 BCADHN CCONC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000367707873 387745992 /nfs/dbraw/zinc/74/59/92/387745992.db2.gz YOMIVTKKKAEFNW-VHSXEESVSA-N 0 3 227.308 0.674 20 0 BCADHN C=Cn1cc(CN2CC[C@@H](CC(N)=O)C2)cn1 ZINC000367708590 387747067 /nfs/dbraw/zinc/74/70/67/387747067.db2.gz QRWQRZKKHICSJF-JTQLQIEISA-N 0 3 234.303 0.681 20 0 BCADHN CC(C(=O)N1C[C@H]2CCCC[C@H]21)S(C)(=O)=O ZINC000367745371 387749337 /nfs/dbraw/zinc/74/93/37/387749337.db2.gz DUPDWGJRTDLBJI-IVZWLZJFSA-N 0 3 245.344 0.821 20 0 BCADHN CO[C@H](C)CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000367795067 387753153 /nfs/dbraw/zinc/75/31/53/387753153.db2.gz NYGXBOPYDILUMC-FRRDWIJNSA-N 0 3 242.363 0.552 20 0 BCADHN Cc1n[nH]cc1CNC[C@H](O)[C@H]1CCCO1 ZINC000527759765 387697433 /nfs/dbraw/zinc/69/74/33/387697433.db2.gz VEOUCGNEUHCETD-WDEREUQCSA-N 0 3 225.292 0.348 20 0 BCADHN O[C@H](CNCc1cccnc1)[C@@H]1CCCO1 ZINC000527759400 387697451 /nfs/dbraw/zinc/69/74/51/387697451.db2.gz PQGRHPKGZZFBAE-NEPJUHHUSA-N 0 3 222.288 0.711 20 0 BCADHN C[C@H](O)CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000126924955 387700433 /nfs/dbraw/zinc/70/04/33/387700433.db2.gz DNLIPGDIJZOMBC-NAKRPEOUSA-N 0 3 228.336 0.745 20 0 BCADHN NCC(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000575561168 387701008 /nfs/dbraw/zinc/70/10/08/387701008.db2.gz ORRKSIKNOMQZLA-SFYZADRCSA-N 0 3 200.307 0.442 20 0 BCADHN CC(C)CN1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000377224915 387702881 /nfs/dbraw/zinc/70/28/81/387702881.db2.gz OUUILKXIOJKOPX-ZJUUUORDSA-N 0 3 212.293 0.232 20 0 BCADHN CNCCN(C)S(=O)(=O)c1ccc(C)nc1 ZINC000440849264 387707170 /nfs/dbraw/zinc/70/71/70/387707170.db2.gz XKDOPNONEHRFDQ-UHFFFAOYSA-N 0 3 243.332 0.230 20 0 BCADHN COC(CN1CC[C@@](O)(C2CC2)C1)OC ZINC000377269169 387708440 /nfs/dbraw/zinc/70/84/40/387708440.db2.gz WPRZSALUEMUAIL-NSHDSACASA-N 0 3 215.293 0.452 20 0 BCADHN CC[S@](=O)CC(=O)NCC(C)(C)CN(C)C ZINC000431567716 387716829 /nfs/dbraw/zinc/71/68/29/387716829.db2.gz WUMBLELASLGSAB-INIZCTEOSA-N 0 3 248.392 0.459 20 0 BCADHN O=C(CC1CC1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377476292 387718138 /nfs/dbraw/zinc/71/81/38/387718138.db2.gz OJYDBIKPMFIMLP-RYUDHWBXSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@H](O)CN(C)C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000127574330 387719052 /nfs/dbraw/zinc/71/90/52/387719052.db2.gz MHSNXNDTQPHSLX-CMPLNLGQSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@@H](C(=O)NCCOC(F)(F)F)N(C)C ZINC000356775407 387719901 /nfs/dbraw/zinc/71/99/01/387719901.db2.gz XJOLKZWMYHEGNB-ZETCQYMHSA-N 0 3 242.241 0.979 20 0 BCADHN CCN(CC1(C)COC1)[C@H]1CCNC1=O ZINC000440964267 387719979 /nfs/dbraw/zinc/71/99/79/387719979.db2.gz NYFVEGIRKSGOFT-VIFPVBQESA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H](O)CN(C)C(=O)[C@H](C1CC1)N1CCCC1 ZINC000127575039 387720227 /nfs/dbraw/zinc/72/02/27/387720227.db2.gz MHSNXNDTQPHSLX-PWSUYJOCSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@H](C(=O)NCCN(C)C)[C@H](C)O ZINC000431619680 387721272 /nfs/dbraw/zinc/72/12/72/387721272.db2.gz HDNLLYNIQLWWKP-IUCAKERBSA-N 0 3 202.298 0.071 20 0 BCADHN COc1cc[nH]c(=O)c1C(=O)NCCN(C)C ZINC000431622812 387721301 /nfs/dbraw/zinc/72/13/01/387721301.db2.gz QIANAYCZSMRPGP-UHFFFAOYSA-N 0 3 239.275 0.087 20 0 BCADHN C[C@@H]1C[C@@H](O)CN(CCN2CCO[C@H](C)C2)C1 ZINC000452067980 387722803 /nfs/dbraw/zinc/72/28/03/387722803.db2.gz JKCTUXSHJQZCKU-JHJVBQTASA-N 0 3 242.363 0.410 20 0 BCADHN CCOCCN1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000367606290 387726944 /nfs/dbraw/zinc/72/69/44/387726944.db2.gz VZGXVHIHVSYEFM-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN Cn1cc(CN2CC[C@H](CC(N)=O)C2)cn1 ZINC000377554731 387727734 /nfs/dbraw/zinc/72/77/34/387727734.db2.gz OGORPLLBWKFECV-SECBINFHSA-N 0 3 222.292 0.117 20 0 BCADHN Cn1nccc1CN1CC[C@@H](CC(N)=O)C1 ZINC000377583153 387729483 /nfs/dbraw/zinc/72/94/83/387729483.db2.gz LNHVEYAZNBVUMC-VIFPVBQESA-N 0 3 222.292 0.117 20 0 BCADHN CCC[C@H](C(=O)N1CCN[C@@H](C)C1)N(C)C ZINC000422841655 387730638 /nfs/dbraw/zinc/73/06/38/387730638.db2.gz WKGTXAWPENGWID-WDEREUQCSA-N 0 3 227.352 0.537 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H](CC(N)=O)C1 ZINC000377603180 387731132 /nfs/dbraw/zinc/73/11/32/387731132.db2.gz GFZJKKWTDQKBHL-JTQLQIEISA-N 0 3 241.335 0.052 20 0 BCADHN CCNC(=O)CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441196815 387734385 /nfs/dbraw/zinc/73/43/85/387734385.db2.gz MSOHHOSHFGRSHT-NEPJUHHUSA-N 0 3 240.347 0.871 20 0 BCADHN O=C1NC[C@@H]2CN(CCOCC(F)F)CC[C@H]12 ZINC000377658365 387736094 /nfs/dbraw/zinc/73/60/94/387736094.db2.gz XFCZEDXCHJVBBC-BDAKNGLRSA-N 0 3 248.273 0.336 20 0 BCADHN CN(C)S(=O)(=O)NCCN1CCCC1(C)C ZINC000452096082 387736701 /nfs/dbraw/zinc/73/67/01/387736701.db2.gz ZVBMSZSLRVITAT-UHFFFAOYSA-N 0 3 249.380 0.257 20 0 BCADHN C[C@H](CO)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000377669517 387737391 /nfs/dbraw/zinc/73/73/91/387737391.db2.gz MMJZHWSWNYRKHH-SKDRFNHKSA-N 0 3 246.326 0.696 20 0 BCADHN CN(C)CCN(C(=O)[C@@H]1CCOC1)C1CC1 ZINC000356878225 387738854 /nfs/dbraw/zinc/73/88/54/387738854.db2.gz GKFJWFCNXRKFAM-SNVBAGLBSA-N 0 3 226.320 0.576 20 0 BCADHN CCCN(CC(=O)N(C)C)CC1(C)COC1 ZINC000441232540 387738870 /nfs/dbraw/zinc/73/88/70/387738870.db2.gz LTRRLNRUZBWHGH-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN COC[C@@H](O)CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000377672977 387741200 /nfs/dbraw/zinc/74/12/00/387741200.db2.gz RHRMOEACSDOLKU-TUAOUCFPSA-N 0 3 243.347 0.883 20 0 BCADHN CCOCCN1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000377674821 387741267 /nfs/dbraw/zinc/74/12/67/387741267.db2.gz OBSLUSCISICRGZ-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H](N[C@H]1C[C@@H](C)N(C2CC2)C1)C(=O)N(C)C ZINC000129047042 387761834 /nfs/dbraw/zinc/76/18/34/387761834.db2.gz ZVAYQMUYGUJKOU-VWYCJHECSA-N 0 3 239.363 0.678 20 0 BCADHN CCN(CC)CC(=O)N1CCCC[C@@H](CO)C1 ZINC000378210209 387771152 /nfs/dbraw/zinc/77/11/52/387771152.db2.gz XTOSYMIPJOEVJM-GFCCVEGCSA-N 0 3 242.363 0.949 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@@H]1NC1CC(C)C1 ZINC000422918180 387774243 /nfs/dbraw/zinc/77/42/43/387774243.db2.gz GUMLDTBFWIVKEQ-TVUZUIDESA-N 0 3 226.320 0.668 20 0 BCADHN CC(C(=O)N[C@@H]1CC[C@@H](C)C1)S(C)(=O)=O ZINC000157248142 387776043 /nfs/dbraw/zinc/77/60/43/387776043.db2.gz CCCSCCFURDRJDQ-IWSPIJDZSA-N 0 3 233.333 0.724 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCC2(CC2)CC1 ZINC000378326683 387776555 /nfs/dbraw/zinc/77/65/55/387776555.db2.gz ORSOETJNKYFPIS-QMMMGPOBSA-N 0 3 225.292 0.446 20 0 BCADHN C[C@@H](CNC(=O)c1cccnn1)N(C)C ZINC000527899324 387779970 /nfs/dbraw/zinc/77/99/70/387779970.db2.gz ZSDNIRSVGNVTFH-QMMMGPOBSA-N 0 3 208.265 0.157 20 0 BCADHN COCC1(C)CN(C[C@H](O)COCC(C)C)C1 ZINC000432752306 387812391 /nfs/dbraw/zinc/81/23/91/387812391.db2.gz KTALEVPEPBHIDG-LBPRGKRZSA-N 0 3 245.363 0.988 20 0 BCADHN CC(=O)NCc1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000424147651 387781176 /nfs/dbraw/zinc/78/11/76/387781176.db2.gz YNPRYOXHGCTPCG-NEPJUHHUSA-N 0 3 247.298 0.608 20 0 BCADHN CC(C(=O)N1CC2CCC1CC2)S(C)(=O)=O ZINC000378392786 387783816 /nfs/dbraw/zinc/78/38/16/387783816.db2.gz ZVJVGHFGQAVFDC-XNWIYYODSA-N 0 3 245.344 0.821 20 0 BCADHN C[C@H](N)C(=O)N1CCOC[C@@H]1c1ccco1 ZINC000378491679 387785864 /nfs/dbraw/zinc/78/58/64/387785864.db2.gz FUVFAGNGNLTNPC-DTWKUNHWSA-N 0 3 224.260 0.527 20 0 BCADHN CCCN(C)CC(=O)N(C)[C@@H](CC)CO ZINC000452285243 387788110 /nfs/dbraw/zinc/78/81/10/387788110.db2.gz OBADOMKYOMBTRK-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN CCn1ncc(CN[C@H]2CCCOCC2)n1 ZINC000527921157 387789118 /nfs/dbraw/zinc/78/91/18/387789118.db2.gz LCHMLIMFFZJORD-JTQLQIEISA-N 0 3 224.308 0.957 20 0 BCADHN CCC(CC)(CC(=O)OC)NC(=O)[C@@H]1C[C@@H]1N ZINC000424149681 387789292 /nfs/dbraw/zinc/78/92/92/387789292.db2.gz HQEXETKGXDVJHJ-BDAKNGLRSA-N 0 3 242.319 0.572 20 0 BCADHN CCn1nncc1CN[C@@H]1CCCOCC1 ZINC000527920296 387790400 /nfs/dbraw/zinc/79/04/00/387790400.db2.gz NNJBRMIZNAQFGD-SNVBAGLBSA-N 0 3 224.308 0.957 20 0 BCADHN CC(C(=O)NC12CCC(CC1)C2)S(C)(=O)=O ZINC000378648205 387792214 /nfs/dbraw/zinc/79/22/14/387792214.db2.gz KGKHOTCAMXHHGB-FKTRJACZSA-N 0 3 245.344 0.868 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000424150192 387793658 /nfs/dbraw/zinc/79/36/58/387793658.db2.gz YJCGFOAFQPIITP-AXFHLTTASA-N 0 3 234.303 0.811 20 0 BCADHN COC[C@H](C)CN[C@@H](CO)c1cnn(C)c1 ZINC000309503607 387813015 /nfs/dbraw/zinc/81/30/15/387813015.db2.gz AJCFSJMEYDFEGL-KOLCDFICSA-N 0 3 227.308 0.326 20 0 BCADHN CN(Cc1ccncc1)C(=O)[C@@H]1C[C@@H]1N ZINC000050458783 387795556 /nfs/dbraw/zinc/79/55/56/387795556.db2.gz HFNCEMYYTLATFC-ZJUUUORDSA-N 0 3 205.261 0.387 20 0 BCADHN CSCC[C@@H](N)C(=O)N(C)[C@@H]1CCOC1 ZINC000157434591 387796824 /nfs/dbraw/zinc/79/68/24/387796824.db2.gz IADMQWWTHRPMOB-RKDXNWHRSA-N 0 3 232.349 0.314 20 0 BCADHN COC(=O)CCCN[C@@H]1C(=O)NCC[C@H]1C ZINC000193581053 387797635 /nfs/dbraw/zinc/79/76/35/387797635.db2.gz NIONQUNZTXUHRG-SCZZXKLOSA-N 0 3 228.292 0.054 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@H](N)CCSC ZINC000157447211 387798377 /nfs/dbraw/zinc/79/83/77/387798377.db2.gz RRKHTWSUUILABU-DTWKUNHWSA-N 0 3 234.365 0.344 20 0 BCADHN CN(CCN1CCCC1=O)CC1(O)CCCC1 ZINC000151143500 387802097 /nfs/dbraw/zinc/80/20/97/387802097.db2.gz FCMVCOYJRZBEDR-UHFFFAOYSA-N 0 3 240.347 0.846 20 0 BCADHN CN(C)CCN(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC000639896195 387805616 /nfs/dbraw/zinc/80/56/16/387805616.db2.gz AFBXELQARMSOOP-UHFFFAOYSA-N 0 3 246.261 0.981 20 0 BCADHN O=C(CC1CC1)NC[C@@H]1CCCN1CCCO ZINC000452355861 387808177 /nfs/dbraw/zinc/80/81/77/387808177.db2.gz ZDAXBBYGTXECEE-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)c2cccnn2)C1 ZINC000527974465 387813475 /nfs/dbraw/zinc/81/34/75/387813475.db2.gz XIUOGSCVOUFQDE-LLVKDONJSA-N 0 3 248.330 0.938 20 0 BCADHN CC[C@@H](C)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452349357 387808842 /nfs/dbraw/zinc/80/88/42/387808842.db2.gz MMTQMVIBTLKHHE-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCN(C)C1)c1ccoc1 ZINC000309503244 387809426 /nfs/dbraw/zinc/80/94/26/387809426.db2.gz BKWBMWSDKICXOB-PWSUYJOCSA-N 0 3 224.304 0.997 20 0 BCADHN CCCNC(=O)CN[C@@H](CCO)C(C)C ZINC000162008886 387809857 /nfs/dbraw/zinc/80/98/57/387809857.db2.gz ZTNSVDWCUCUMSC-JTQLQIEISA-N 0 3 216.325 0.509 20 0 BCADHN CCCN(C)CC(=O)NCC[C@@](C)(O)COC ZINC000452364845 387809953 /nfs/dbraw/zinc/80/99/53/387809953.db2.gz TZFIZZIANAZEGI-GFCCVEGCSA-N 0 3 246.351 0.232 20 0 BCADHN COC[C@H](NC[C@H](O)C(F)(F)F)C1CC1 ZINC000151237227 387810778 /nfs/dbraw/zinc/81/07/78/387810778.db2.gz HMNWWSYBZNLFIG-YUMQZZPRSA-N 0 3 227.226 0.924 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@H]1NC1CCC1 ZINC000422959400 387811707 /nfs/dbraw/zinc/81/17/07/387811707.db2.gz RWJKZGFGJGBXSG-ZJUUUORDSA-N 0 3 212.293 0.422 20 0 BCADHN C[C@H]1[C@@H](NC(=O)N(C)CCCO)CCCN1C ZINC000442647150 387811649 /nfs/dbraw/zinc/81/16/49/387811649.db2.gz LFMHIRSOPQFRTG-QWRGUYRKSA-N 0 3 243.351 0.493 20 0 BCADHN COC[C@@H]1CN(C[C@@H](O)C(C)C)C[C@H](C)O1 ZINC000432789304 387819946 /nfs/dbraw/zinc/81/99/46/387819946.db2.gz RADFTULWIVXZAI-SDDRHHMPSA-N 0 3 231.336 0.739 20 0 BCADHN NC1(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000564075794 387820346 /nfs/dbraw/zinc/82/03/46/387820346.db2.gz SVDOMZRYWHALIP-ZJUUUORDSA-N 0 3 224.304 0.552 20 0 BCADHN NC(=O)CCN[C@@H](c1cccnc1)C1CC1 ZINC000564078666 387820812 /nfs/dbraw/zinc/82/08/12/387820812.db2.gz VNWTZXOMIWZBCJ-GFCCVEGCSA-N 0 3 219.288 0.998 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)C[C@@H](O)C(C)C ZINC000432788017 387821027 /nfs/dbraw/zinc/82/10/27/387821027.db2.gz VRYNXGOZGYPNHQ-VXGBXAGGSA-N 0 3 233.352 0.721 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000135719719 387822750 /nfs/dbraw/zinc/82/27/50/387822750.db2.gz UNHXMMKBTISZHD-UWVGGRQHSA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@@H](CO)N(C)C(=O)CN1CC[C@H](C)C1 ZINC000564101822 387826166 /nfs/dbraw/zinc/82/61/66/387826166.db2.gz YAJLCICSDKLYNJ-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@@H]1C[C@H]1C ZINC000157535175 387827133 /nfs/dbraw/zinc/82/71/33/387827133.db2.gz HUOXGKDRRZYOAT-VGMNWLOBSA-N 0 3 216.350 0.839 20 0 BCADHN FC1(CNCCc2nnc3n2CCC3)CC1 ZINC000309581049 387832020 /nfs/dbraw/zinc/83/20/20/387832020.db2.gz QICFEZDBCBEBPG-UHFFFAOYSA-N 0 3 224.283 0.859 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@@H](C)[C@H](C)OC ZINC000423073166 387873637 /nfs/dbraw/zinc/87/36/37/387873637.db2.gz QUYAUZYIEHRYEF-XWLWVQCSSA-N 0 3 244.335 0.293 20 0 BCADHN CC(C)N(C)CCNc1nccn(C)c1=O ZINC000061752288 387844578 /nfs/dbraw/zinc/84/45/78/387844578.db2.gz CWINQKVPZTZZOE-UHFFFAOYSA-N 0 3 224.308 0.532 20 0 BCADHN Cc1ncc(CN[C@@H](C)[C@@H]2CCC[NH2+]2)c(=O)[n-]1 ZINC000423031218 387847183 /nfs/dbraw/zinc/84/71/83/387847183.db2.gz KTIDKDLRQPSYGQ-KWQFWETISA-N 0 3 236.319 0.721 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NCCOC(C)C ZINC000423040525 387852849 /nfs/dbraw/zinc/85/28/49/387852849.db2.gz ULPIDNORCOSGHT-GHMZBOCLSA-N 0 3 244.335 0.295 20 0 BCADHN Cn1cccc1C(=O)CN1C[C@H]2CN(C)C[C@H]2C1 ZINC000193629351 387859107 /nfs/dbraw/zinc/85/91/07/387859107.db2.gz RPSDCXIANRVWEX-TXEJJXNPSA-N 0 3 247.342 0.701 20 0 BCADHN COCCCCNC(=O)[C@@]1(F)CCNC1 ZINC000151593279 387861122 /nfs/dbraw/zinc/86/11/22/387861122.db2.gz YURAZFUOOVJCKF-SNVBAGLBSA-N 0 3 218.272 0.231 20 0 BCADHN C[C@]1(C(=O)N[C@H]2CNCCC2(F)F)C[C@@H]1F ZINC000424169979 387864517 /nfs/dbraw/zinc/86/45/17/387864517.db2.gz APSOUOGGCUBHTO-ZKWXMUAHSA-N 0 3 236.237 0.848 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@H]1CCCCN1 ZINC000157695769 387865091 /nfs/dbraw/zinc/86/50/91/387865091.db2.gz HNXAGHTWEXVDGY-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1ccn(C2CCCC2)n1 ZINC000424171586 387865336 /nfs/dbraw/zinc/86/53/36/387865336.db2.gz MGRVUDPKWBPTGS-NWDGAFQWSA-N 0 3 248.330 0.962 20 0 BCADHN CC(C)OC(=O)CCCNC(=O)[C@@H]1C[C@@H]1N ZINC000424169882 387865375 /nfs/dbraw/zinc/86/53/75/387865375.db2.gz KHOHHKCKIDCOHN-BDAKNGLRSA-N 0 3 228.292 0.182 20 0 BCADHN CCC[C@@](C)(O)C(=O)NC[C@H]1CCCN1C ZINC000433129476 387867751 /nfs/dbraw/zinc/86/77/51/387867751.db2.gz DGHLDBNGYORMNJ-ZYHUDNBSSA-N 0 3 228.336 0.748 20 0 BCADHN CC1(CN2CCC[C@H]2CS(N)(=O)=O)CCC1 ZINC000432773165 387814965 /nfs/dbraw/zinc/81/49/65/387814965.db2.gz CDCGQGNRXHOADU-JTQLQIEISA-N 0 3 246.376 0.930 20 0 BCADHN Cc1ccoc1CNC[C@H]1CN(C)CCN1C ZINC000135182620 387815082 /nfs/dbraw/zinc/81/50/82/387815082.db2.gz DTLGADNMBALMNZ-LBPRGKRZSA-N 0 3 237.347 0.923 20 0 BCADHN CCOC(=O)C[C@H](C)CNC(=O)[C@H](C)N ZINC000158065533 387889922 /nfs/dbraw/zinc/88/99/22/387889922.db2.gz BVODGHFAGFXQMQ-YUMQZZPRSA-N 0 3 216.281 0.039 20 0 BCADHN Cc1nocc1CNCC(C)(C)OCCO ZINC000293058450 387890544 /nfs/dbraw/zinc/89/05/44/387890544.db2.gz UNEMBBLBEOSQJD-UHFFFAOYSA-N 0 3 228.292 0.860 20 0 BCADHN CCOC(=O)C[C@H](C)CNC(=O)[C@@H](C)N ZINC000158065255 387890542 /nfs/dbraw/zinc/89/05/42/387890542.db2.gz BVODGHFAGFXQMQ-JGVFFNPUSA-N 0 3 216.281 0.039 20 0 BCADHN CCOC(=O)CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1N ZINC000424179847 387890730 /nfs/dbraw/zinc/89/07/30/387890730.db2.gz ZTOKIMRRJNDMQJ-YIZRAAEISA-N 0 3 228.292 0.182 20 0 BCADHN COC[C@@H](CCO)NCc1cnn(C(C)C)c1 ZINC000219112660 387891267 /nfs/dbraw/zinc/89/12/67/387891267.db2.gz VLBLDDAIRBVNSG-GFCCVEGCSA-N 0 3 241.335 0.951 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@H](O)[C@H]1C ZINC000452714306 387893206 /nfs/dbraw/zinc/89/32/06/387893206.db2.gz NJMQVKSWVNQXPI-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCN1CCC1 ZINC000443971056 387879202 /nfs/dbraw/zinc/87/92/02/387879202.db2.gz KMPQTYJECKJWEV-TXEJJXNPSA-N 0 3 239.363 0.681 20 0 BCADHN C[C@H](CNC(=O)CO)N1CCCC[C@H]1C ZINC000448696132 387880173 /nfs/dbraw/zinc/88/01/73/387880173.db2.gz DZEVEBOYTNZSSP-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CC(=O)CCC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000157904714 387883693 /nfs/dbraw/zinc/88/36/93/387883693.db2.gz QXVQYRCXJLLSFF-GXSJLCMTSA-N 0 3 226.320 0.955 20 0 BCADHN CCC[C@H](C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000152504111 387885393 /nfs/dbraw/zinc/88/53/93/387885393.db2.gz QOTOQOZVIFDLHF-CMPLNLGQSA-N 0 3 230.352 0.851 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000452684023 387888112 /nfs/dbraw/zinc/88/81/12/387888112.db2.gz IPQHJMJULNNDGB-DTORHVGOSA-N 0 3 220.263 0.847 20 0 BCADHN CCN(CC)CC(=O)NC[C@H](C)COC ZINC000194652111 387888077 /nfs/dbraw/zinc/88/80/77/387888077.db2.gz AAAORXVZUZSQDN-JTQLQIEISA-N 0 3 216.325 0.727 20 0 BCADHN CCC[C@H]1CN(C(=O)[C@H](C)N)CCO1 ZINC000158057436 387888674 /nfs/dbraw/zinc/88/86/74/387888674.db2.gz ANONQPAIBMWHRX-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN CCOC[C@H](O)CN1CC[C@H](OCCOC)C1 ZINC000444750534 387919028 /nfs/dbraw/zinc/91/90/28/387919028.db2.gz FIKPOBVCBGZJTB-NEPJUHHUSA-N 0 3 247.335 0.121 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](C)Oc1ccccc1 ZINC000154561947 387899853 /nfs/dbraw/zinc/89/98/53/387899853.db2.gz NFBYYUXDCPIUDR-NXEZZACHSA-N 0 3 222.288 0.917 20 0 BCADHN C[C@@H](O)CN1CCC[C@H](n2cncn2)C1 ZINC000194952162 387901021 /nfs/dbraw/zinc/90/10/21/387901021.db2.gz MGQUGMCLYZPUSR-ZJUUUORDSA-N 0 3 210.281 0.296 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)NCC1COC1 ZINC000528310006 387901248 /nfs/dbraw/zinc/90/12/48/387901248.db2.gz YMCOATIXRLVAGV-LLVKDONJSA-N 0 3 241.335 0.368 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@H](N)C1CCC1 ZINC000423126454 387904754 /nfs/dbraw/zinc/90/47/54/387904754.db2.gz IUZDUOOGMOLCAL-IONNQARKSA-N 0 3 228.292 0.039 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000423128195 387904856 /nfs/dbraw/zinc/90/48/56/387904856.db2.gz KQGMIUPMINNYRC-AEJSXWLSSA-N 0 3 242.319 0.300 20 0 BCADHN CCOCC[C@@H](O)CN1CCSC[C@H]1CO ZINC000444678663 387905040 /nfs/dbraw/zinc/90/50/40/387905040.db2.gz XQEUQKUNCHRETK-GHMZBOCLSA-N 0 3 249.376 0.184 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000236797768 387905139 /nfs/dbraw/zinc/90/51/39/387905139.db2.gz JVEMUMKLHWKTOK-GHMZBOCLSA-N 0 3 241.335 0.241 20 0 BCADHN CCOCC[C@H](O)CN1CC[C@@H](O)C(C)(C)C1 ZINC000444676362 387905489 /nfs/dbraw/zinc/90/54/89/387905489.db2.gz ULDXYNSBEKRKDL-NWDGAFQWSA-N 0 3 245.363 0.867 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@@H](CC)C(=O)OC ZINC000236796427 387905822 /nfs/dbraw/zinc/90/58/22/387905822.db2.gz JGICCEPKRIMCDD-BDAKNGLRSA-N 0 3 230.308 0.572 20 0 BCADHN CC(C)(N)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000236782173 387905893 /nfs/dbraw/zinc/90/58/93/387905893.db2.gz OBNMMOFEZKNSNH-UWVGGRQHSA-N 0 3 242.319 0.130 20 0 BCADHN OC[C@@H]1CCCN(C[C@H](O)CC2(O)CCC2)C1 ZINC000528346863 387905887 /nfs/dbraw/zinc/90/58/87/387905887.db2.gz VOKVTCSLUHZFKU-VXGBXAGGSA-N 0 3 243.347 0.357 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@H](CC)C(=O)OC ZINC000236841198 387907040 /nfs/dbraw/zinc/90/70/40/387907040.db2.gz JGICCEPKRIMCDD-DTWKUNHWSA-N 0 3 230.308 0.572 20 0 BCADHN C[C@@H](O)CN1CCN(CCC2CC2)CC1 ZINC000444684430 387908280 /nfs/dbraw/zinc/90/82/80/387908280.db2.gz JTIIWDXZFNVNHK-LLVKDONJSA-N 0 3 212.337 0.785 20 0 BCADHN CCOCC[C@H](O)CN1CCN(C)[C@@H](C)[C@H]1C ZINC000444690184 387911042 /nfs/dbraw/zinc/91/10/42/387911042.db2.gz RIEBTNPCODEOPZ-XQQFMLRXSA-N 0 3 244.379 0.798 20 0 BCADHN OC[C@H]1CCCN1C[C@@H](O)CC1(O)CCC1 ZINC000528360137 387912170 /nfs/dbraw/zinc/91/21/70/387912170.db2.gz SZPTXINCAXJXDI-MNOVXSKESA-N 0 3 229.320 0.109 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000236933772 387912720 /nfs/dbraw/zinc/91/27/20/387912720.db2.gz LKZLSWGOZODOLU-YTWAJWBKSA-N 0 3 226.320 0.798 20 0 BCADHN CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@H](C)O ZINC000452770569 387912808 /nfs/dbraw/zinc/91/28/08/387912808.db2.gz CQOILJDZUBGMNK-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1NCC1(C)C ZINC000645790829 387915128 /nfs/dbraw/zinc/91/51/28/387915128.db2.gz VIVHAAJAALDKBF-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN NCC(=O)NCc1ccccc1Cn1cccn1 ZINC000237974372 387929456 /nfs/dbraw/zinc/92/94/56/387929456.db2.gz GRBRUHUSBCVCPM-UHFFFAOYSA-N 0 3 244.298 0.506 20 0 BCADHN NC[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1 ZINC000238027954 387930404 /nfs/dbraw/zinc/93/04/04/387930404.db2.gz OXEGCKCKZIQXIJ-LLVKDONJSA-N 0 3 247.298 0.575 20 0 BCADHN COC[C@H](O)CCN[C@@H](C)c1cn(C)nc1C ZINC000179537053 387930788 /nfs/dbraw/zinc/93/07/88/387930788.db2.gz IXUXWSVUDQLYLC-GXSJLCMTSA-N 0 3 241.335 0.777 20 0 BCADHN CCCN(C)CC(=O)N(C)CC(C)(C)CO ZINC000452902902 387937290 /nfs/dbraw/zinc/93/72/90/387937290.db2.gz YOIKMJCBPOXDKB-UHFFFAOYSA-N 0 3 230.352 0.805 20 0 BCADHN COCC1CCN(CCOCCO)CC1 ZINC000069632163 134900729 /nfs/dbraw/zinc/90/07/29/134900729.db2.gz IIXJMVHEOIZZJF-UHFFFAOYSA-N 0 3 217.309 0.354 20 0 BCADHN COC[C@@H](C)CN1CCN2C(=O)CC[C@@H]2C1 ZINC000527108109 387934142 /nfs/dbraw/zinc/93/41/42/387934142.db2.gz NJSYFHFWUHBHIW-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N(C)CC(C)(C)OC ZINC000533023505 387920886 /nfs/dbraw/zinc/92/08/86/387920886.db2.gz GINQJMJCKUWVNV-QMMMGPOBSA-N 0 3 245.323 0.187 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CO)C(C)(C)C ZINC000444760839 387921521 /nfs/dbraw/zinc/92/15/21/387921521.db2.gz LXOWVCODSPALNA-JTQLQIEISA-N 0 3 230.352 0.851 20 0 BCADHN CC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2N)CCO1 ZINC000424196956 387921708 /nfs/dbraw/zinc/92/17/08/387921708.db2.gz GPLSLPFASBKQFP-RGOKHQFPSA-N 0 3 212.293 0.407 20 0 BCADHN C[C@H](N)C(=O)NCc1cccc(CO)c1 ZINC000178111840 387922218 /nfs/dbraw/zinc/92/22/18/387922218.db2.gz DXYSCNYXOVWDAI-QMMMGPOBSA-N 0 3 208.261 0.142 20 0 BCADHN COC(=O)CCCCNC(=O)[C@H](N)CC(C)C ZINC000237149189 387922885 /nfs/dbraw/zinc/92/28/85/387922885.db2.gz DCNNNVRPCDGENR-SNVBAGLBSA-N 0 3 244.335 0.819 20 0 BCADHN CNCC(=O)N(C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000237181906 387925050 /nfs/dbraw/zinc/92/50/50/387925050.db2.gz IOQVIFILWFKDRW-IEBDPFPHSA-N 0 3 226.320 0.478 20 0 BCADHN C[C@H]1OCC[C@H]1NCC(=O)Nc1ccncc1 ZINC000582822045 387952944 /nfs/dbraw/zinc/95/29/44/387952944.db2.gz AEHDPVOIXPGVSM-MWLCHTKSSA-N 0 3 235.287 0.209 20 0 BCADHN COc1ccc(NC(=O)NCCN(C)C)nn1 ZINC000243077874 387939258 /nfs/dbraw/zinc/93/92/58/387939258.db2.gz IOZDGPKHBNDLRU-UHFFFAOYSA-N 0 3 239.279 0.168 20 0 BCADHN COCCNCC(=O)N(C)C1CCC1 ZINC000158208424 387940572 /nfs/dbraw/zinc/94/05/72/387940572.db2.gz OELUBRNYBZDMRY-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN COCCCN(CCO)C(=O)CN(C)C(C)C ZINC000438528512 387941092 /nfs/dbraw/zinc/94/10/92/387941092.db2.gz MXZZWIQAPBXYBB-UHFFFAOYSA-N 0 3 246.351 0.184 20 0 BCADHN CCc1nc(CNC(C)(C)COC)n[nH]1 ZINC000158248660 387942008 /nfs/dbraw/zinc/94/20/08/387942008.db2.gz XMSYZKHGRRSMHS-UHFFFAOYSA-N 0 3 212.297 0.882 20 0 BCADHN CC[C@@](C)(CN[C@@H](C)CS(C)(=O)=O)OC ZINC000322620968 387942057 /nfs/dbraw/zinc/94/20/57/387942057.db2.gz NOROVEXZZGORSX-UWVGGRQHSA-N 0 3 237.365 0.824 20 0 BCADHN CC(C)NC(=O)NCCN(C)C[C@H](C)O ZINC000645808024 387956278 /nfs/dbraw/zinc/95/62/78/387956278.db2.gz JECFYHUTPPXAEL-VIFPVBQESA-N 0 3 217.313 0.007 20 0 BCADHN CCc1nc(CN[C@@H]2CCSC2)n[nH]1 ZINC000392308053 387951226 /nfs/dbraw/zinc/95/12/26/387951226.db2.gz CTAWSRVMFGJYLE-SSDOTTSWSA-N 0 3 212.322 0.962 20 0 BCADHN O=C(C[C@H]1CNCCO1)Nc1ccc[nH]c1=O ZINC000645809781 387958414 /nfs/dbraw/zinc/95/84/14/387958414.db2.gz JXMZPOKYVBKXIU-QMMMGPOBSA-N 0 3 237.259 0.104 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H](COC)C1CC1 ZINC000158646317 387960056 /nfs/dbraw/zinc/96/00/56/387960056.db2.gz QKQSKMJJHFYVLD-NSHDSACASA-N 0 3 243.351 0.662 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000423181500 387967477 /nfs/dbraw/zinc/96/74/77/387967477.db2.gz LBPOXDWDKJUCQY-IWSPIJDZSA-N 0 3 228.292 0.052 20 0 BCADHN CC(=O)N(C)C1CCN(CC[C@@H](C)O)CC1 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/nfs/dbraw/zinc/02/01/93/388020193.db2.gz JOBIYMOJADSZFB-UHFFFAOYSA-N 0 3 233.315 0.835 20 0 BCADHN O=C(c1cnn2ccccc12)N1CCCNCC1 ZINC000082271304 388020822 /nfs/dbraw/zinc/02/08/22/388020822.db2.gz ACDFBFVUAHBNMU-UHFFFAOYSA-N 0 3 244.298 0.770 20 0 BCADHN O=C1CC[C@@H](NCc2cncs2)CN1 ZINC000082515480 388035147 /nfs/dbraw/zinc/03/51/47/388035147.db2.gz BYRCGTWGQXXGRR-SSDOTTSWSA-N 0 3 211.290 0.511 20 0 BCADHN O=C1CC[C@H](NCc2cncs2)CN1 ZINC000082515481 388035734 /nfs/dbraw/zinc/03/57/34/388035734.db2.gz BYRCGTWGQXXGRR-ZETCQYMHSA-N 0 3 211.290 0.511 20 0 BCADHN C[C@H](O)CNCc1ccc2c(c1)NC(=O)CO2 ZINC000082548359 388036664 /nfs/dbraw/zinc/03/66/64/388036664.db2.gz VMHTVQJYYCJRRX-QMMMGPOBSA-N 0 3 236.271 0.488 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@](C)(O)C1CC1 ZINC000440227652 388037107 /nfs/dbraw/zinc/03/71/07/388037107.db2.gz QEELJGJGTZZCLQ-GFCCVEGCSA-N 0 3 228.336 0.604 20 0 BCADHN COc1ccc([O-])c(C(=O)N[C@H](C)C[NH3+])c1 ZINC000082576950 388037772 /nfs/dbraw/zinc/03/77/72/388037772.db2.gz FTJVBBIGFFTMGR-SSDOTTSWSA-N 0 3 224.260 0.478 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)NCC1(C)COC1 ZINC000082694071 388039996 /nfs/dbraw/zinc/03/99/96/388039996.db2.gz HOKFDBIGNDDHPJ-VHSXEESVSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@@H](N)C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000069909655 388041402 /nfs/dbraw/zinc/04/14/02/388041402.db2.gz SWKNIEVHHWCGPR-BIIVOSGPSA-N 0 3 202.323 0.686 20 0 BCADHN C[C@H](CO)CNC(=O)NCC1(N(C)C)CCC1 ZINC000446624897 388029438 /nfs/dbraw/zinc/02/94/38/388029438.db2.gz QHZXRZQOQSRDMN-JTQLQIEISA-N 0 3 243.351 0.398 20 0 BCADHN COCC[C@@]1(NCc2cnn(C)c2)CCOC1 ZINC000447071994 388051967 /nfs/dbraw/zinc/05/19/67/388051967.db2.gz FSWDURWAFVBPDP-GFCCVEGCSA-N 0 3 239.319 0.705 20 0 BCADHN COC(=O)CC1(CN2C[C@H](O)C3(CC3)C2)CC1 ZINC000440533408 388052619 /nfs/dbraw/zinc/05/26/19/388052619.db2.gz IDDCKJUPUJGNGV-JTQLQIEISA-N 0 3 239.315 0.786 20 0 BCADHN COC[C@H](O)CN[C@@H](C)c1cn(C)nc1C ZINC000083569792 388054992 /nfs/dbraw/zinc/05/49/92/388054992.db2.gz JKAFKZWTNAWWOG-WCBMZHEXSA-N 0 3 227.308 0.386 20 0 BCADHN CNCC(=O)NCc1ccc(C(C)=O)c(C)n1 ZINC000440575417 388055959 /nfs/dbraw/zinc/05/59/59/388055959.db2.gz NQYHRNQWMKXPEP-UHFFFAOYSA-N 0 3 235.287 0.428 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H]1CN(C)C[C@H]1C ZINC000453369275 388061632 /nfs/dbraw/zinc/06/16/32/388061632.db2.gz SZSTUMPHAIQANJ-DDHJBXDOSA-N 0 3 228.336 0.330 20 0 BCADHN NC1(C(=O)N2CCN3CCCC[C@H]3C2)CC1 ZINC000083834876 388063435 /nfs/dbraw/zinc/06/34/35/388063435.db2.gz BEESDUURHKSXGU-JTQLQIEISA-N 0 3 223.320 0.174 20 0 BCADHN Cc1ccc2c(c1)nc(CNC(=O)CN)n2C ZINC000083887835 388064685 /nfs/dbraw/zinc/06/46/85/388064685.db2.gz IRRYZQOBQDNGMO-UHFFFAOYSA-N 0 3 232.287 0.457 20 0 BCADHN C[C@H](N)C(=O)NCCc1ccc2c(c1)CCO2 ZINC000083887670 388064851 /nfs/dbraw/zinc/06/48/51/388064851.db2.gz JECQRIBQBRBFQV-VIFPVBQESA-N 0 3 234.299 0.627 20 0 BCADHN NCC(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000083916275 388066255 /nfs/dbraw/zinc/06/62/55/388066255.db2.gz RMDRPVYLHPFJSB-GFCCVEGCSA-N 0 3 234.299 0.415 20 0 BCADHN Cc1ccc2[nH]c(CNC(=O)[C@H](C)N)nc2c1 ZINC000083909478 388066594 /nfs/dbraw/zinc/06/65/94/388066594.db2.gz RPPMMHYWANGTHW-QMMMGPOBSA-N 0 3 232.287 0.835 20 0 BCADHN Cc1ccc2nc(CNC(=O)[C@H](C)N)[nH]c2c1 ZINC000083909478 388066597 /nfs/dbraw/zinc/06/65/97/388066597.db2.gz RPPMMHYWANGTHW-QMMMGPOBSA-N 0 3 232.287 0.835 20 0 BCADHN CNCC(=O)N[C@H]1CCCN(c2ccccn2)C1 ZINC000083913454 388066762 /nfs/dbraw/zinc/06/67/62/388066762.db2.gz HXFLYECSIMDQSD-NSHDSACASA-N 0 3 248.330 0.386 20 0 BCADHN CNCC(=O)N1CCC(c2cc(C)n[nH]2)CC1 ZINC000083932020 388066826 /nfs/dbraw/zinc/06/68/26/388066826.db2.gz JIWKSHPYDBCSBM-UHFFFAOYSA-N 0 3 236.319 0.644 20 0 BCADHN CC[C@@H](F)CN1CCO[C@H](CN(C)C)C1 ZINC000440696568 388069118 /nfs/dbraw/zinc/06/91/18/388069118.db2.gz JGMCIYIPSQTWKG-GHMZBOCLSA-N 0 3 218.316 0.997 20 0 BCADHN CC[C@@H](N[C@H](COC)C(C)C)C(=O)NC ZINC000453397991 388070321 /nfs/dbraw/zinc/07/03/21/388070321.db2.gz ITLUHEMMFZHARK-NXEZZACHSA-N 0 3 216.325 0.772 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000084091824 388072657 /nfs/dbraw/zinc/07/26/57/388072657.db2.gz ZBSXMVVUGPHVNG-JOYOIKCWSA-N 0 3 241.335 0.241 20 0 BCADHN CSC[C@H](O)CN(C)C1(CO)CC1 ZINC000336657971 388073036 /nfs/dbraw/zinc/07/30/36/388073036.db2.gz RNHPJYUCPMGSMG-MRVPVSSYSA-N 0 3 205.323 0.167 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000084200634 388073776 /nfs/dbraw/zinc/07/37/76/388073776.db2.gz VZFYAYWGLGUPEO-HBNTYKKESA-N 0 3 226.320 0.894 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@@](F)(CO)C1 ZINC000433188745 388075522 /nfs/dbraw/zinc/07/55/22/388075522.db2.gz CYHIARNEAFAUFU-UWVGGRQHSA-N 0 3 205.273 0.410 20 0 BCADHN CC[C@H](COC)N[C@@H]1CCC(=O)N(C)C1=O ZINC000084406657 388077658 /nfs/dbraw/zinc/07/76/58/388077658.db2.gz PRWSRBCVTGTUBH-RKDXNWHRSA-N 0 3 228.292 0.148 20 0 BCADHN COC[C@H](C)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000453424363 388080906 /nfs/dbraw/zinc/08/09/06/388080906.db2.gz GJROUFKEJAIYQI-HBNTYKKESA-N 0 3 226.320 0.764 20 0 BCADHN CC(C)N(C)CC(=O)NCCC[C@@H](C)O ZINC000447617201 388082554 /nfs/dbraw/zinc/08/25/54/388082554.db2.gz GERGCOQEWLASEA-SNVBAGLBSA-N 0 3 216.325 0.604 20 0 BCADHN CC(C)[C@@H](C(=O)NCCC[C@@H](C)O)N(C)C ZINC000447621004 388083645 /nfs/dbraw/zinc/08/36/45/388083645.db2.gz XKLPVDYWXCHODK-MNOVXSKESA-N 0 3 230.352 0.850 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000037000855 388085109 /nfs/dbraw/zinc/08/51/09/388085109.db2.gz ZEJJKJSPDNHPCZ-RQJHMYQMSA-N 0 3 248.286 0.381 20 0 BCADHN CCC[C@@]1(CO)CCN([C@@H]2COC[C@H]2O)C1 ZINC000463189603 388088388 /nfs/dbraw/zinc/08/83/88/388088388.db2.gz BAXFCGCECOYTJL-IJLUTSLNSA-N 0 3 229.320 0.231 20 0 BCADHN CO[C@H]1C[C@@H](N(C)CCN2CCCOCC2)C1 ZINC000463200569 388088644 /nfs/dbraw/zinc/08/86/44/388088644.db2.gz BWXUULKFYDKRRG-BETUJISGSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H]1CCN([C@H]2COC[C@H]2O)CCS1 ZINC000463214744 388088758 /nfs/dbraw/zinc/08/87/58/388088758.db2.gz UJHZGLDJESSZLE-LPEHRKFASA-N 0 3 217.334 0.574 20 0 BCADHN CC(C)[C@@H](C)CNC(=O)C[C@H]1CNCCO1 ZINC000085620377 388092918 /nfs/dbraw/zinc/09/29/18/388092918.db2.gz JOTFAFOPFIVFNC-QWRGUYRKSA-N 0 3 228.336 0.773 20 0 BCADHN COc1nccnc1CNC(C)(C)CN(C)C ZINC000453620242 388093377 /nfs/dbraw/zinc/09/33/77/388093377.db2.gz KYCACMWQRGTXSN-UHFFFAOYSA-N 0 3 238.335 0.915 20 0 BCADHN C[C@@H](N)C(=O)Nc1nc2c(s1)CCC2 ZINC000042477058 388094146 /nfs/dbraw/zinc/09/41/46/388094146.db2.gz IBCUVGUTJANKPE-RXMQYKEDSA-N 0 3 211.290 0.918 20 0 BCADHN Cc1ccc(CCNC(=O)[C@@H]2C[C@@H]2N)cn1 ZINC000645965379 388095069 /nfs/dbraw/zinc/09/50/69/388095069.db2.gz LPJXMBIRDVOCBS-MNOVXSKESA-N 0 3 219.288 0.396 20 0 BCADHN CN(C)CC(C)(C)NC(=O)Nc1ccncc1 ZINC000454362175 388115578 /nfs/dbraw/zinc/11/55/78/388115578.db2.gz KVOAABLGOPDTHK-UHFFFAOYSA-N 0 3 236.319 0.965 20 0 BCADHN C[C@@H](O)CN(C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000464263261 388098727 /nfs/dbraw/zinc/09/87/27/388098727.db2.gz GRVVLDPLKQGOHY-MXWKQRLJSA-N 0 3 243.351 0.491 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCCO1)N(C)C ZINC000454240494 388109025 /nfs/dbraw/zinc/10/90/25/388109025.db2.gz HXMZZUIVUPOCRC-DCAQKATOSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@H](N)C(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000086930506 388111096 /nfs/dbraw/zinc/11/10/96/388111096.db2.gz OWWCSQBRLBTKBL-OUAUKWLOSA-N 0 3 225.336 0.419 20 0 BCADHN COC(=O)c1csc(NC(=O)[C@@H](C)N)c1 ZINC000119241661 388112096 /nfs/dbraw/zinc/11/20/96/388112096.db2.gz MXSUYUOFOTUFBE-RXMQYKEDSA-N 0 3 228.273 0.820 20 0 BCADHN CCn1nccc1CNCCn1cccn1 ZINC000160104533 388046692 /nfs/dbraw/zinc/04/66/92/388046692.db2.gz MBUNGUJJMIWNKW-UHFFFAOYSA-N 0 3 219.292 0.889 20 0 BCADHN COc1nccc(CN[C@H]2CN(C)C[C@@H]2C)n1 ZINC000449190213 388155548 /nfs/dbraw/zinc/15/55/48/388155548.db2.gz NPUFSCBESUJXIZ-ONGXEEELSA-N 0 3 236.319 0.525 20 0 BCADHN COc1nccc(CN[C@@H]2CN(C)C[C@H]2C)n1 ZINC000449190212 388155737 /nfs/dbraw/zinc/15/57/37/388155737.db2.gz NPUFSCBESUJXIZ-MWLCHTKSSA-N 0 3 236.319 0.525 20 0 BCADHN CO[C@@H]1CCC[C@H]1NC(=O)NC[C@H](C)N(C)C ZINC000455400956 388158905 /nfs/dbraw/zinc/15/89/05/388158905.db2.gz VSBZUELPPKFGDG-HBNTYKKESA-N 0 3 243.351 0.803 20 0 BCADHN CCNC(=O)CN[C@@H](C)Cc1ccoc1 ZINC000449222898 388159068 /nfs/dbraw/zinc/15/90/68/388159068.db2.gz WUUZOMWPFBENNX-VIFPVBQESA-N 0 3 210.277 0.936 20 0 BCADHN C[C@@H](CNC(=O)N(C)C[C@H]1CCCO1)N(C)C ZINC000455431223 388159433 /nfs/dbraw/zinc/15/94/33/388159433.db2.gz LNKOCVCKNDTHET-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN CC(C)C[C@@H](CO)NC(=O)NC[C@H](C)N(C)C ZINC000455434137 388159765 /nfs/dbraw/zinc/15/97/65/388159765.db2.gz QEDCFMTUUWGFCJ-QWRGUYRKSA-N 0 3 245.367 0.643 20 0 BCADHN C[C@@H]1CN(CCN(C)CCO)C[C@H](C)O1 ZINC000195318390 388159804 /nfs/dbraw/zinc/15/98/04/388159804.db2.gz CDBYWCAXYJXHTK-PHIMTYICSA-N 0 3 216.325 0.020 20 0 BCADHN C/C=C\C[C@@H](CO)NC(=O)NC[C@H](C)N(C)C ZINC000455435740 388160167 /nfs/dbraw/zinc/16/01/67/388160167.db2.gz SXUYCDOWFZHYKD-OBOPVNRVSA-N 0 3 243.351 0.563 20 0 BCADHN O=C(Nc1nc2cccnc2[nH]1)[C@H]1C[C@H](F)CN1 ZINC000646194733 388162197 /nfs/dbraw/zinc/16/21/97/388162197.db2.gz MHMIDGQTVXFAAL-POYBYMJQSA-N 0 3 249.249 0.596 20 0 BCADHN CC[C@H](O)CCCNC(=O)[C@@H]1NCC1(C)C ZINC000646193410 388162224 /nfs/dbraw/zinc/16/22/24/388162224.db2.gz BWWRIBZOFCQBEU-UWVGGRQHSA-N 0 3 228.336 0.652 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)CCC1CC1 ZINC000646209893 388164291 /nfs/dbraw/zinc/16/42/91/388164291.db2.gz SQPNIEKEYQTIGZ-SNVBAGLBSA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)COCCC(=O)N[C@@H](CO)CN(C)C ZINC000646210274 388165122 /nfs/dbraw/zinc/16/51/22/388165122.db2.gz XZXWIIRCOGDFNH-LLVKDONJSA-N 0 3 246.351 0.088 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@H]1NCC1(C)C ZINC000646212458 388166364 /nfs/dbraw/zinc/16/63/64/388166364.db2.gz HTKBLIZFFPSMLZ-NXEZZACHSA-N 0 3 228.336 0.509 20 0 BCADHN CCOC(=O)C(C)(C)NC(=O)[C@H](C)NC1CC1 ZINC000449277413 388166409 /nfs/dbraw/zinc/16/64/09/388166409.db2.gz WLGBIHDYBCBNFS-QMMMGPOBSA-N 0 3 242.319 0.585 20 0 BCADHN CCCN[C@@H](C)C(=O)N1CCNC(=O)[C@@H]1CC ZINC000449277761 388166596 /nfs/dbraw/zinc/16/65/96/388166596.db2.gz YIWWAKFTWCYRBW-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN CCCN[C@@H](C)C(=O)N1CCNC(=O)[C@H]1CC ZINC000449277762 388166761 /nfs/dbraw/zinc/16/67/61/388166761.db2.gz YIWWAKFTWCYRBW-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@@H](C)CC(=O)N[C@@H](CO)CN1CCCC1 ZINC000646222530 388167771 /nfs/dbraw/zinc/16/77/71/388167771.db2.gz UGGHSRBUVGYQJP-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CNCC(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000646224216 388168283 /nfs/dbraw/zinc/16/82/83/388168283.db2.gz WFRZOMIUSLEPMC-JTQLQIEISA-N 0 3 228.336 0.917 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000646228535 388168465 /nfs/dbraw/zinc/16/84/65/388168465.db2.gz BYSXXISUCUVNTQ-HBNTYKKESA-N 0 3 228.336 0.901 20 0 BCADHN C[C@@H](C[C@H]1CCOC1)NC(=O)C1(N)CCC1 ZINC000646228520 388168616 /nfs/dbraw/zinc/16/86/16/388168616.db2.gz BLIHYKBEEMBSDQ-VHSXEESVSA-N 0 3 226.320 0.799 20 0 BCADHN COCCNCC(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000646228775 388168890 /nfs/dbraw/zinc/16/88/90/388168890.db2.gz NAFNWBSWCZOEKM-MNOVXSKESA-N 0 3 244.335 0.154 20 0 BCADHN COC[C@@H](CO)N[C@H](C)Cc1ccoc1 ZINC000449303242 388169642 /nfs/dbraw/zinc/16/96/42/388169642.db2.gz WPYFJONIPIMJHN-MWLCHTKSSA-N 0 3 213.277 0.808 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000250118638 388170056 /nfs/dbraw/zinc/17/00/56/388170056.db2.gz UTNLAWYOSYLEPT-NXEZZACHSA-N 0 3 228.336 0.602 20 0 BCADHN O=C(CNC1CC1)NCc1ccc(F)cn1 ZINC000646245543 388170072 /nfs/dbraw/zinc/17/00/72/388170072.db2.gz UHNRUKFEEFHMAG-UHFFFAOYSA-N 0 3 223.251 0.589 20 0 BCADHN CC[C@H](C(=O)N[C@H]1C[C@@H](O)C1(C)C)N(C)C ZINC000250125819 388170156 /nfs/dbraw/zinc/17/01/56/388170156.db2.gz WFJUXJIDMYXJCK-KXUCPTDWSA-N 0 3 228.336 0.602 20 0 BCADHN CC(C)NC(=O)NCCN(C)[C@@H]1CCC[C@H]1O ZINC000645909809 388171235 /nfs/dbraw/zinc/17/12/35/388171235.db2.gz YEULBGYIPQPJEA-GHMZBOCLSA-N 0 3 243.351 0.539 20 0 BCADHN Cc1cc(C(=O)N2CCc3nc[nH]c3C2)n[nH]1 ZINC000646261566 388172717 /nfs/dbraw/zinc/17/27/17/388172717.db2.gz OEEGCZXYLUOOCD-UHFFFAOYSA-N 0 3 231.259 0.640 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCN2CCOC[C@@H]2C1 ZINC000488567132 388188296 /nfs/dbraw/zinc/18/82/96/388188296.db2.gz YSYMELQZUPHQTL-WOPDTQHZSA-N 0 3 210.321 0.659 20 0 BCADHN C[C@@H]1CN(C(=O)CCc2ccncn2)[C@@H](C)CN1 ZINC000646298685 388178834 /nfs/dbraw/zinc/17/88/34/388178834.db2.gz AKJPRBHDTIUQPF-MNOVXSKESA-N 0 3 248.330 0.618 20 0 BCADHN CCn1nccc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000646298775 388178949 /nfs/dbraw/zinc/17/89/49/388178949.db2.gz PUMOWVRPXDLIPO-ZJUUUORDSA-N 0 3 236.319 0.725 20 0 BCADHN CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](C)O ZINC000456246819 388188588 /nfs/dbraw/zinc/18/85/88/388188588.db2.gz LUZIYOCUKWUHMV-MXWKQRLJSA-N 0 3 230.352 0.848 20 0 BCADHN CC(C)[C@@H](CO)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456176848 388182998 /nfs/dbraw/zinc/18/29/98/388182998.db2.gz YSNDLEYXALYUJQ-QJPTWQEYSA-N 0 3 240.347 0.413 20 0 BCADHN CC[C@H](O)CC(=O)N1CCC[C@H]1CN(C)C ZINC000448879379 388117396 /nfs/dbraw/zinc/11/73/96/388117396.db2.gz AETFIYBJLAPTAD-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H](CNC(=O)CC1(O)CCC1)N(C)C1CC1 ZINC000448891663 388117606 /nfs/dbraw/zinc/11/76/06/388117606.db2.gz VAEOKETVSHOXPM-JTQLQIEISA-N 0 3 240.347 0.890 20 0 BCADHN CC[C@H](O)CC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000448891885 388117666 /nfs/dbraw/zinc/11/76/66/388117666.db2.gz XECJKGCIGDJFDH-KOLCDFICSA-N 0 3 228.336 0.746 20 0 BCADHN CC[C@H](O)CC(=O)NC[C@H](C)N(C)C1CC1 ZINC000448891887 388117736 /nfs/dbraw/zinc/11/77/36/388117736.db2.gz XECJKGCIGDJFDH-ONGXEEELSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@H](CNC(=O)C1CC(C)(O)C1)N(C)C1CC1 ZINC000448890097 388118124 /nfs/dbraw/zinc/11/81/24/388118124.db2.gz GLAQRRTXYSCFNI-TTXORMCVSA-N 0 3 240.347 0.746 20 0 BCADHN COCCN(C)CCNC(=O)N1CC[C@H](F)C1 ZINC000454448165 388118227 /nfs/dbraw/zinc/11/82/27/388118227.db2.gz WMIKVPOHXQGTAQ-JTQLQIEISA-N 0 3 247.314 0.318 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000448935831 388121584 /nfs/dbraw/zinc/12/15/84/388121584.db2.gz JZRUWVLSZIKMKS-IJLUTSLNSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@H](O)CC(=O)N1CCCN(CC)CC1 ZINC000448940788 388122033 /nfs/dbraw/zinc/12/20/33/388122033.db2.gz JDZDCGSEBJBDIU-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCCOC ZINC000162213974 388125826 /nfs/dbraw/zinc/12/58/26/388125826.db2.gz HUIJSDVFNBRLES-SECBINFHSA-N 0 3 223.338 0.436 20 0 BCADHN CO[C@@H]1COC[C@H]1NCc1ccc(CO)cc1 ZINC000646044331 388130642 /nfs/dbraw/zinc/13/06/42/388130642.db2.gz KAZVBRMFTCPUBR-CHWSQXEVSA-N 0 3 237.299 0.682 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCCc1cnn(C)c1 ZINC000646042562 388131080 /nfs/dbraw/zinc/13/10/80/388131080.db2.gz UGAZLTDGLJGLNP-VXGBXAGGSA-N 0 3 239.319 0.356 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CC)[C@H](C)O ZINC000456222620 388186308 /nfs/dbraw/zinc/18/63/08/388186308.db2.gz OKARSEDTTGGOAU-UWVGGRQHSA-N 0 3 216.325 0.604 20 0 BCADHN COC[C@@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000454743692 388132457 /nfs/dbraw/zinc/13/24/57/388132457.db2.gz MFKWWBZUYWKQBH-BDAKNGLRSA-N 0 3 217.313 0.271 20 0 BCADHN COC1(CNC(=O)NC[C@H](C)N(C)C)CCC1 ZINC000454762130 388133041 /nfs/dbraw/zinc/13/30/41/388133041.db2.gz FQMOTHWPBAWELA-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@H]1CN(C)CCCN1C(=O)CC(=O)NC ZINC000646051591 388133204 /nfs/dbraw/zinc/13/32/04/388133204.db2.gz ALBIWUHKEVWAAH-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CC[C@@H](C(=O)NC(COC)COC)N(C)C ZINC000456225505 388186352 /nfs/dbraw/zinc/18/63/52/388186352.db2.gz HKYWXCMSAZEZBT-JTQLQIEISA-N 0 3 232.324 0.104 20 0 BCADHN CCC[C@@H](O)CN[C@H](C)CS(C)(=O)=O ZINC000162256665 388136491 /nfs/dbraw/zinc/13/64/91/388136491.db2.gz PMAUKXWDZVJCEE-RKDXNWHRSA-N 0 3 223.338 0.170 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)NC[C@H](C)N(C)C)C1 ZINC000454843941 388137007 /nfs/dbraw/zinc/13/70/07/388137007.db2.gz KBCALIQXQNDPEN-GARJFASQSA-N 0 3 243.351 0.803 20 0 BCADHN CC(C)OC(=O)CCNC(=O)[C@@H](C)NC1CC1 ZINC000449087836 388140440 /nfs/dbraw/zinc/14/04/40/388140440.db2.gz XBJWRPHHQGOJEK-SECBINFHSA-N 0 3 242.319 0.585 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1CSC[C@@H]1C)N(C)C ZINC000454947608 388141061 /nfs/dbraw/zinc/14/10/61/388141061.db2.gz RCVMKDDGIJSHLZ-GUBZILKMSA-N 0 3 245.392 0.987 20 0 BCADHN CCCN[C@H](C)C(=O)N[C@@H]1CCCCNC1=O ZINC000449093985 388141569 /nfs/dbraw/zinc/14/15/69/388141569.db2.gz XYRBUWHCXQLUSN-NXEZZACHSA-N 0 3 241.335 0.159 20 0 BCADHN O=C(C[C@H]1CCCO1)N1CCN2CCC[C@H]2C1 ZINC000249838988 388150006 /nfs/dbraw/zinc/15/00/06/388150006.db2.gz UUONHQLVIXCTRP-NWDGAFQWSA-N 0 3 238.331 0.862 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000646133843 388151492 /nfs/dbraw/zinc/15/14/92/388151492.db2.gz DFAYIUDJNPLSBP-KXUCPTDWSA-N 0 3 224.304 0.374 20 0 BCADHN CCCCN(CC(N)=O)C(=O)[C@@H](C)NCCC ZINC000449167346 388151642 /nfs/dbraw/zinc/15/16/42/388151642.db2.gz JMFUIPWNEVYUPU-SNVBAGLBSA-N 0 3 243.351 0.489 20 0 BCADHN CS[C@H](C)CN[C@H]1CCCS(=O)(=O)C1 ZINC000162340390 388154193 /nfs/dbraw/zinc/15/41/93/388154193.db2.gz FBSPZLKGUZEKAR-BDAKNGLRSA-N 0 3 237.390 0.905 20 0 BCADHN CS[C@H](C)CN[C@@H](C)CS(C)(=O)=O ZINC000162340656 388154229 /nfs/dbraw/zinc/15/42/29/388154229.db2.gz VRLWHIVKTVARJO-JGVFFNPUSA-N 0 3 225.379 0.761 20 0 BCADHN C[C@H](CO)[C@H](C)N[C@@H](C)C(=O)N(C)C ZINC000164911666 388249042 /nfs/dbraw/zinc/24/90/42/388249042.db2.gz QSQQLNVFEJVLKU-VGMNWLOBSA-N 0 3 202.298 0.070 20 0 BCADHN CC(C)NC(=O)CN[C@@H](C)[C@H](C)CO ZINC000164898897 388249084 /nfs/dbraw/zinc/24/90/84/388249084.db2.gz AQMUUGHTYNWURC-BDAKNGLRSA-N 0 3 202.298 0.118 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CNCCC1(F)F ZINC000449661712 388249673 /nfs/dbraw/zinc/24/96/73/388249673.db2.gz CYKRJNZYKLHBPQ-VIFPVBQESA-N 0 3 249.305 0.442 20 0 BCADHN COCCCC(=O)N[C@H]1CNCCC1(F)F ZINC000449664967 388250599 /nfs/dbraw/zinc/25/05/99/388250599.db2.gz QJPGSZOTSNZMBH-QMMMGPOBSA-N 0 3 236.262 0.526 20 0 BCADHN Cn1cc(CNC[C@]2(O)CCSC2)cn1 ZINC000165144717 388251318 /nfs/dbraw/zinc/25/13/18/388251318.db2.gz QBIWQRUELGYVNF-SNVBAGLBSA-N 0 3 227.333 0.378 20 0 BCADHN CNC(=O)CCN1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937912 388253097 /nfs/dbraw/zinc/25/30/97/388253097.db2.gz GKEPOQPGQUVCAN-VIFPVBQESA-N 0 3 247.289 0.148 20 0 BCADHN C[C@@H](O)[C@H]1CCN(Cc2cnn(C)c2)C1 ZINC000166068498 388254135 /nfs/dbraw/zinc/25/41/35/388254135.db2.gz QKAZZZWZQSKSQB-KOLCDFICSA-N 0 3 209.293 0.623 20 0 BCADHN COC[C@@H](Cc1ccccc1)NC(=O)CN ZINC000490822253 388255806 /nfs/dbraw/zinc/25/58/06/388255806.db2.gz INOTZVWFLTUQIA-LLVKDONJSA-N 0 3 222.288 0.319 20 0 BCADHN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)CN ZINC000490843357 388256904 /nfs/dbraw/zinc/25/69/04/388256904.db2.gz AXYHKCPIOZUARI-YPMHNXCESA-N 0 3 234.299 0.800 20 0 BCADHN COc1cc(C)cnc1C(=O)NCCN(C)C ZINC000488575202 388189015 /nfs/dbraw/zinc/18/90/15/388189015.db2.gz KOYNULORTBWJTN-UHFFFAOYSA-N 0 3 237.303 0.690 20 0 BCADHN CN(C(=O)c1ccncn1)[C@@H]1CCN(C2CC2)C1 ZINC000488822186 388196439 /nfs/dbraw/zinc/19/64/39/388196439.db2.gz WDSFJEJUWGILDR-LLVKDONJSA-N 0 3 246.314 0.785 20 0 BCADHN COCC(C)(C)CN1CCOC[C@@H](O)C1 ZINC000449413761 388197962 /nfs/dbraw/zinc/19/79/62/388197962.db2.gz IEDQYEWVRLEROB-JTQLQIEISA-N 0 3 217.309 0.352 20 0 BCADHN CNC(=O)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC000456502617 388204815 /nfs/dbraw/zinc/20/48/15/388204815.db2.gz JMENYHGOUMKOHT-KOLCDFICSA-N 0 3 243.351 0.213 20 0 BCADHN O=C1CCCN1CCN1CC[C@@](O)(C2CC2)C1 ZINC000489151786 388205057 /nfs/dbraw/zinc/20/50/57/388205057.db2.gz QXYQUYQFHMLQDM-ZDUSSCGKSA-N 0 3 238.331 0.456 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](OC)[C@@H](OC)C1 ZINC000489226526 388206095 /nfs/dbraw/zinc/20/60/95/388206095.db2.gz IICWBFQZSRJLKT-PHIMTYICSA-N 0 3 244.335 0.200 20 0 BCADHN CC(C)N(C)C(=O)CN1CC[C@@](O)(C2CC2)C1 ZINC000489212138 388206142 /nfs/dbraw/zinc/20/61/42/388206142.db2.gz FCSQTRFSDIRJIA-ZDUSSCGKSA-N 0 3 240.347 0.700 20 0 BCADHN O[C@H](CN1CC[C@@](O)(C2CC2)C1)C(F)(F)F ZINC000489258377 388206598 /nfs/dbraw/zinc/20/65/98/388206598.db2.gz QPPSQHJWXWUVPR-BDAKNGLRSA-N 0 3 239.237 0.756 20 0 BCADHN COC[C@H](CCO)NCc1cccnc1 ZINC000164298474 388206842 /nfs/dbraw/zinc/20/68/42/388206842.db2.gz LXHFZARWWWENTJ-NSHDSACASA-N 0 3 210.277 0.569 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)C(=O)OC(C)C ZINC000456641613 388211640 /nfs/dbraw/zinc/21/16/40/388211640.db2.gz VQNOXZUEPKYOBE-JTQLQIEISA-N 0 3 244.335 0.785 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000489409596 388212088 /nfs/dbraw/zinc/21/20/88/388212088.db2.gz SLYWTSKQCVFSLC-MXWKQRLJSA-N 0 3 243.351 0.539 20 0 BCADHN CN(C[C@H](O)CN1CCCC1=O)[C@@H]1CC1(C)C ZINC000489435614 388213662 /nfs/dbraw/zinc/21/36/62/388213662.db2.gz XCVKZUGFGWDQQC-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN CNC(=O)CCN(CCOC)[C@@H]1CCO[C@@H]1C ZINC000489468255 388216479 /nfs/dbraw/zinc/21/64/79/388216479.db2.gz HUUAPQRFFNNTHD-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN COCCN(C[C@@H](O)COC)[C@@H]1CCO[C@H]1C ZINC000489465710 388216581 /nfs/dbraw/zinc/21/65/81/388216581.db2.gz OFMNXKXRMQGATA-QJPTWQEYSA-N 0 3 247.335 0.120 20 0 BCADHN COCCN(C[C@@H](O)COC)[C@H]1CCO[C@@H]1C ZINC000489465712 388216657 /nfs/dbraw/zinc/21/66/57/388216657.db2.gz OFMNXKXRMQGATA-UTUOFQBUSA-N 0 3 247.335 0.120 20 0 BCADHN CCN1C[C@@H](N[C@H](C)CC(=O)N(C)C)CC1=O ZINC000449523140 388223250 /nfs/dbraw/zinc/22/32/50/388223250.db2.gz XSDCWHQXLFGYKM-ZJUUUORDSA-N 0 3 241.335 0.064 20 0 BCADHN Cc1cnc(CN2C[C@H]3CCN(C)[C@H]3C2)cn1 ZINC000449525826 388224405 /nfs/dbraw/zinc/22/44/05/388224405.db2.gz XSPVTIJNFJKEEO-YPMHNXCESA-N 0 3 232.331 0.921 20 0 BCADHN CC[C@H](NCc1cnc(N(C)C)nc1)[C@@H](C)O ZINC000449542238 388227874 /nfs/dbraw/zinc/22/78/74/388227874.db2.gz LVMJVFYDECVKPB-KOLCDFICSA-N 0 3 238.335 0.792 20 0 BCADHN CCC[C@@H](C(=O)NC[C@H](O)C1CCC1)N(C)C ZINC000456854846 388228308 /nfs/dbraw/zinc/22/83/08/388228308.db2.gz GJCRCMDUOXHDGQ-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](NCc1ccnc(N(C)C)n1)[C@H](C)O ZINC000449543907 388228590 /nfs/dbraw/zinc/22/85/90/388228590.db2.gz PDZBXYHTBQLESE-ONGXEEELSA-N 0 3 238.335 0.792 20 0 BCADHN CCN(CC)CC(=O)NC[C@H](O)C1CCC1 ZINC000456870062 388229464 /nfs/dbraw/zinc/22/94/64/388229464.db2.gz OKVZPWNRYBVAEP-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN COCCN(CCn1ccnc1)[C@H]1CCOC1 ZINC000490030229 388231128 /nfs/dbraw/zinc/23/11/28/388231128.db2.gz GUINVXYIFCPHLJ-LBPRGKRZSA-N 0 3 239.319 0.620 20 0 BCADHN COCCN(CCC[C@@H](C)O)[C@H]1CCOC1 ZINC000490037364 388231211 /nfs/dbraw/zinc/23/12/11/388231211.db2.gz GEFYQJUXLBUUEP-NEPJUHHUSA-N 0 3 231.336 0.885 20 0 BCADHN CO[C@H](C)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000261528691 135154281 /nfs/dbraw/zinc/15/42/81/135154281.db2.gz UCHGCDCCWNBFHB-DJLDLDEBSA-N 0 3 200.282 0.230 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCCO[C@H](C)C1 ZINC000070714668 388237533 /nfs/dbraw/zinc/23/75/33/388237533.db2.gz ZNFRPOGGXKEUNK-KOLCDFICSA-N 0 3 231.292 0.021 20 0 BCADHN CSC1(C(=O)NCCN(C)C)CCC1 ZINC000490449950 388239369 /nfs/dbraw/zinc/23/93/69/388239369.db2.gz BCRCSXXWXGOGFQ-UHFFFAOYSA-N 0 3 216.350 0.950 20 0 BCADHN OCCCNCc1cnnn1Cc1ccccc1 ZINC000490558865 388241055 /nfs/dbraw/zinc/24/10/55/388241055.db2.gz UJJOKUXZSFQSGB-UHFFFAOYSA-N 0 3 246.314 0.798 20 0 BCADHN COC[C@H](CCO)NCc1scnc1C ZINC000164634204 388241958 /nfs/dbraw/zinc/24/19/58/388241958.db2.gz MIEKRSZEWWCXHD-VIFPVBQESA-N 0 3 230.333 0.939 20 0 BCADHN CCOCCN(C)C(=O)CN(CC)CC ZINC000089373832 256576330 /nfs/dbraw/zinc/57/63/30/256576330.db2.gz YCFOASRVUBGEGZ-UHFFFAOYSA-N 0 3 216.325 0.823 20 0 BCADHN CCc1nnc(CN2C[C@@H]3CCN(C)[C@@H]3C2)[nH]1 ZINC000451621726 388284762 /nfs/dbraw/zinc/28/47/62/388284762.db2.gz CVWUFZVPQJFERO-VHSXEESVSA-N 0 3 235.335 0.503 20 0 BCADHN Cc1ccnc(CN2C[C@H]3CCN(C)[C@H]3C2)n1 ZINC000451624679 388285397 /nfs/dbraw/zinc/28/53/97/388285397.db2.gz NVYFXYRPEUVGOP-NEPJUHHUSA-N 0 3 232.331 0.921 20 0 BCADHN CN(C)CC1(NC(=O)CC2(O)CCC2)CCC1 ZINC000451631259 388286449 /nfs/dbraw/zinc/28/64/49/388286449.db2.gz IBCBRTFUQYVEET-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN CN1CC[C@@H]2CN(CC(=O)OC(C)(C)C)C[C@@H]21 ZINC000451630818 388286491 /nfs/dbraw/zinc/28/64/91/388286491.db2.gz ULSJCBWRBYCIJZ-MNOVXSKESA-N 0 3 240.347 0.964 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1C[C@H](O)C1(C)C ZINC000163430964 388288905 /nfs/dbraw/zinc/28/89/05/388288905.db2.gz BMUOCOSEYBRABD-AEJSXWLSSA-N 0 3 249.376 0.559 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000492017505 388331821 /nfs/dbraw/zinc/33/18/21/388331821.db2.gz RMHBVYSYXWKMRO-FTTHCLOASA-N 0 3 238.331 0.788 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000492017506 388331843 /nfs/dbraw/zinc/33/18/43/388331843.db2.gz RMHBVYSYXWKMRO-PXZPMMBZSA-N 0 3 238.331 0.788 20 0 BCADHN CC(=O)[C@](C)(O)CN[C@H]1COCC1(C)C ZINC000451808949 388297622 /nfs/dbraw/zinc/29/76/22/388297622.db2.gz HVKHOKYBBAPAMV-GXSJLCMTSA-N 0 3 215.293 0.341 20 0 BCADHN CCCN(CC(=O)OC)C(=O)/C=C\CN(C)C ZINC000492031707 388332087 /nfs/dbraw/zinc/33/20/87/388332087.db2.gz LXKIVZYICAJETI-SREVYHEPSA-N 0 3 242.319 0.516 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)/C=C/CN(C)C)C1 ZINC000492036722 388332381 /nfs/dbraw/zinc/33/23/81/388332381.db2.gz XLDUJSLQJKELGC-XKFHPXPTSA-N 0 3 226.320 0.788 20 0 BCADHN CO[C@H](C)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000261528694 135154619 /nfs/dbraw/zinc/15/46/19/135154619.db2.gz UCHGCDCCWNBFHB-XHNCKOQMSA-N 0 3 200.282 0.230 20 0 BCADHN CN(C)C/C=C/C(=O)NCC(=O)NC(C)(C)C ZINC000491841601 388324295 /nfs/dbraw/zinc/32/42/95/388324295.db2.gz CKCCUXQRWHFFDT-VOTSOKGWSA-N 0 3 241.335 0.135 20 0 BCADHN CCCOC(=O)CCNC(=O)/C=C\CN(C)C ZINC000491848283 388324795 /nfs/dbraw/zinc/32/47/95/388324795.db2.gz MYOJATKVXLFWOI-WAYWQWQTSA-N 0 3 242.319 0.564 20 0 BCADHN COC(=O)CCCN(C)C(=O)/C=C\CN(C)C ZINC000491865074 388325247 /nfs/dbraw/zinc/32/52/47/388325247.db2.gz GTNGMAXBGSUBSD-ALCCZGGFSA-N 0 3 242.319 0.516 20 0 BCADHN C[C@H]1CN(C(=O)/C=C\CN(C)C)CCCO1 ZINC000491873006 388325526 /nfs/dbraw/zinc/32/55/26/388325526.db2.gz SOEVCXNXOBWFIV-QZPNVGJNSA-N 0 3 226.320 0.742 20 0 BCADHN Cc1cnn(CCNC(=O)/C=C\CN(C)C)c1 ZINC000491881369 388326274 /nfs/dbraw/zinc/32/62/74/388326274.db2.gz GUORIIYEHORVOS-PLNGDYQASA-N 0 3 236.319 0.426 20 0 BCADHN CN(C)C/C=C\C(=O)NCC1(O)CCCC1 ZINC000491891561 388326466 /nfs/dbraw/zinc/32/64/66/388326466.db2.gz ZUJDMBHIQNYVAV-WAYWQWQTSA-N 0 3 226.320 0.526 20 0 BCADHN COC[C@H](C)CNC(=O)/C=C\CN(C)C ZINC000491893137 388326852 /nfs/dbraw/zinc/32/68/52/388326852.db2.gz NJYHFJONWJFCBN-WWQCOOJYSA-N 0 3 214.309 0.503 20 0 BCADHN Cc1cc(NC(=O)/C=C\CN(C)C)n(C)n1 ZINC000491902339 388327051 /nfs/dbraw/zinc/32/70/51/388327051.db2.gz BXQBCSMROLADKT-WAYWQWQTSA-N 0 3 222.292 0.785 20 0 BCADHN CCn1nccc1NC(=O)/C=C/CN(C)C ZINC000491911065 388327337 /nfs/dbraw/zinc/32/73/37/388327337.db2.gz ZLPSHZHBCRQQEZ-AATRIKPKSA-N 0 3 222.292 0.959 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C(=O)/C=C\CN(C)C ZINC000492052696 388333131 /nfs/dbraw/zinc/33/31/31/388333131.db2.gz ZSRCVBVTUPBVFU-OOMSKYPHSA-N 0 3 212.293 0.086 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)/C=C\CN(C)C ZINC000491913235 388327765 /nfs/dbraw/zinc/32/77/65/388327765.db2.gz KTJOYMUEJXXXHO-GZTOBOFZSA-N 0 3 228.336 0.627 20 0 BCADHN CSC[C@H](O)CN1CCSC[C@H]1CO ZINC000491982771 388330393 /nfs/dbraw/zinc/33/03/93/388330393.db2.gz SIWMSDRYZYXPEH-RKDXNWHRSA-N 0 3 237.390 0.120 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCCO[C@@H]1CCOC1 ZINC000490944800 388261417 /nfs/dbraw/zinc/26/14/17/388261417.db2.gz WKBXSFZCFNUDRK-GHMZBOCLSA-N 0 3 244.335 0.282 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)/C=C/c2ccc[nH]2)C1 ZINC000491997454 388330905 /nfs/dbraw/zinc/33/09/05/388330905.db2.gz FQJDULPDFWWWGQ-MUBLQREKSA-N 0 3 249.314 0.211 20 0 BCADHN CCOCCNC(=O)CN(C)[C@@H](C)C(C)(C)O ZINC000451361197 388264938 /nfs/dbraw/zinc/26/49/38/388264938.db2.gz MRLCBPNUGNFTEX-JTQLQIEISA-N 0 3 246.351 0.230 20 0 BCADHN C[C@H](N(C)CC(=O)N(C)CC1CC1)C(C)(C)O ZINC000451363456 388265278 /nfs/dbraw/zinc/26/52/78/388265278.db2.gz TUDAPPPXWMPCLO-JTQLQIEISA-N 0 3 242.363 0.946 20 0 BCADHN O[C@@H]1COC[C@@H]1NC[C@H]1CCOc2ccccc21 ZINC000323478639 388265340 /nfs/dbraw/zinc/26/53/40/388265340.db2.gz YYKCIYMNQYECDW-KGYLQXTDSA-N 0 3 249.310 0.902 20 0 BCADHN COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)CN ZINC000491030399 388265696 /nfs/dbraw/zinc/26/56/96/388265696.db2.gz BUYDXULQLBGNBQ-ZJUUUORDSA-N 0 3 242.319 0.573 20 0 BCADHN COCc1ccc(CN[C@@H]2COC[C@@H]2O)cc1 ZINC000323517130 388267492 /nfs/dbraw/zinc/26/74/92/388267492.db2.gz GYZCPPNZQJIJEA-OLZOCXBDSA-N 0 3 237.299 0.682 20 0 BCADHN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)CN ZINC000491072678 388267550 /nfs/dbraw/zinc/26/75/50/388267550.db2.gz BCKGBAXJRDEKLL-MRVPVSSYSA-N 0 3 237.307 0.311 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCCc1cscn1 ZINC000645952557 388267522 /nfs/dbraw/zinc/26/75/22/388267522.db2.gz YCVGBKQIGNIAJA-VIFPVBQESA-N 0 3 239.344 0.800 20 0 BCADHN CC[C@@H](C)CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246349412 388268273 /nfs/dbraw/zinc/26/82/73/388268273.db2.gz FNAQTFNCCZQKAX-OPRDCNLKSA-N 0 3 214.309 0.607 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCC(CF)CC1 ZINC000451391394 388268645 /nfs/dbraw/zinc/26/86/45/388268645.db2.gz FZBMLLYGJFHSCP-GFCCVEGCSA-N 0 3 247.310 0.982 20 0 BCADHN Cc1cnn(CCN2CC[C@@](O)(C(F)F)C2)c1 ZINC000451420857 388271444 /nfs/dbraw/zinc/27/14/44/388271444.db2.gz ARTUNOSYSXLQSG-NSHDSACASA-N 0 3 245.273 0.893 20 0 BCADHN COC[C@@H](C)N1CC[C@@](O)(C(F)F)C1 ZINC000451438244 388272982 /nfs/dbraw/zinc/27/29/82/388272982.db2.gz UPDJHLUGLGYYHF-APPZFPTMSA-N 0 3 209.236 0.723 20 0 BCADHN COC[C@H](C)N1CC[C@](O)(C(F)F)C1 ZINC000451438246 388273185 /nfs/dbraw/zinc/27/31/85/388273185.db2.gz UPDJHLUGLGYYHF-IONNQARKSA-N 0 3 209.236 0.723 20 0 BCADHN C[C@@H]1CN(CCN2CCC[C@H](O)[C@H]2C)CCO1 ZINC000451449917 388274535 /nfs/dbraw/zinc/27/45/35/388274535.db2.gz CQOZYPOQNCGLIP-UPJWGTAASA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C\CN(C)C)CCC1=O ZINC000492005931 388331269 /nfs/dbraw/zinc/33/12/69/388331269.db2.gz UUZRJOQESJFEBZ-UMCURTJPSA-N 0 3 224.304 0.542 20 0 BCADHN CN(C[C@H]1CCCOC1)[C@@H]1COC[C@H]1O ZINC000463067981 388276429 /nfs/dbraw/zinc/27/64/29/388276429.db2.gz FIJGFYUIRRPESM-GMTAPVOTSA-N 0 3 215.293 0.105 20 0 BCADHN CC(C)O[C@H]1C[C@@H](NCC(N)=O)C1(C)C ZINC000451511899 388278459 /nfs/dbraw/zinc/27/84/59/388278459.db2.gz ZRKMCVFGUGNVPY-BDAKNGLRSA-N 0 3 214.309 0.653 20 0 BCADHN CC(=O)C[C@H](C)NC(=O)/C=C\CN(C)C ZINC000492285656 388340318 /nfs/dbraw/zinc/34/03/18/388340318.db2.gz ZRRMXOSHWZRXOF-UDIARPCQSA-N 0 3 212.293 0.588 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C/CN(C)C)[C@H](C)CN1C ZINC000492284497 388340449 /nfs/dbraw/zinc/34/04/49/388340449.db2.gz RAHSVDGSTJLTLQ-BYAJROORSA-N 0 3 239.363 0.655 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1ccc(C(N)=O)nc1 ZINC000492296980 388340614 /nfs/dbraw/zinc/34/06/14/388340614.db2.gz PXQRXYKHJBYPLF-ONEGZZNKSA-N 0 3 248.286 0.237 20 0 BCADHN Cc1ocnc1CNC(=O)/C=C/CN(C)C ZINC000492386720 388343154 /nfs/dbraw/zinc/34/31/54/388343154.db2.gz XDDBMSKIEHZBAP-SNAWJCMRSA-N 0 3 223.276 0.717 20 0 BCADHN C[C@@H](NC(=O)/C=C/CN(C)C)c1ccon1 ZINC000492391703 388343174 /nfs/dbraw/zinc/34/31/74/388343174.db2.gz BMWCTERZATZSCF-XNPJLODASA-N 0 3 223.276 0.970 20 0 BCADHN COC1(C)CN(C(=O)/C=C\CN(C)C)C1 ZINC000492397075 388343596 /nfs/dbraw/zinc/34/35/96/388343596.db2.gz YKUIGXPXLCYVTB-WAYWQWQTSA-N 0 3 212.293 0.352 20 0 BCADHN CSC[C@H](O)CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000492434972 388344313 /nfs/dbraw/zinc/34/43/13/388344313.db2.gz DJTKNJJPJLPVAE-OUAUKWLOSA-N 0 3 232.393 0.735 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000646390942 388349184 /nfs/dbraw/zinc/34/91/84/388349184.db2.gz XMGQYKDECPFIMN-VHSXEESVSA-N 0 3 237.307 0.179 20 0 BCADHN CC(C)[C@@H](O)C(C)(C)CNC(=O)CN ZINC000516570989 388350437 /nfs/dbraw/zinc/35/04/37/388350437.db2.gz KCVFIVOEXTZFLM-SECBINFHSA-N 0 3 202.298 0.104 20 0 BCADHN CN1C(=O)C[C@H](N2CCC(C)(C)CC2)C1=O ZINC000524226697 388351682 /nfs/dbraw/zinc/35/16/82/388351682.db2.gz LKSRPMNXHSBVEB-VIFPVBQESA-N 0 3 224.304 0.866 20 0 BCADHN CC[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(N)=O ZINC000234044014 388352424 /nfs/dbraw/zinc/35/24/24/388352424.db2.gz ORQNRLCNVHJPHK-LPEHRKFASA-N 0 3 212.293 0.407 20 0 BCADHN C[NH2+][C@H](C)CNC(=O)c1cc(OC)ccc1[O-] ZINC000234434024 388355002 /nfs/dbraw/zinc/35/50/02/388355002.db2.gz UCTVKZUBINBSJF-MRVPVSSYSA-N 0 3 238.287 0.739 20 0 BCADHN COC[C@H](C)N1CCCN(C(N)=O)CC1 ZINC000173620306 388357657 /nfs/dbraw/zinc/35/76/57/388357657.db2.gz WVEURSHSPSYMPH-VIFPVBQESA-N 0 3 215.297 0.108 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1ccno1 ZINC000646439210 388359077 /nfs/dbraw/zinc/35/90/77/388359077.db2.gz XURYVIJPBWAUOF-MRVPVSSYSA-N 0 3 209.249 0.289 20 0 BCADHN COCCC(C)(C)CNC(=O)CNC1CC1 ZINC000234655729 388359192 /nfs/dbraw/zinc/35/91/92/388359192.db2.gz BBUWWPFJWBZLAM-UHFFFAOYSA-N 0 3 228.336 0.917 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000646439043 388359352 /nfs/dbraw/zinc/35/93/52/388359352.db2.gz PMQQCYYCQPNVGD-BBBLOLIVSA-N 0 3 226.320 0.404 20 0 BCADHN CC(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000646446045 388359799 /nfs/dbraw/zinc/35/97/99/388359799.db2.gz FIRFAZJMEPFOGP-WDEREUQCSA-N 0 3 212.293 0.328 20 0 BCADHN CC(C)C(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000646450060 388359820 /nfs/dbraw/zinc/35/98/20/388359820.db2.gz STLLIPWBCDHOQT-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)([NH3+])CC(=O)NCc1ncccc1[O-] ZINC000646451160 388360797 /nfs/dbraw/zinc/36/07/97/388360797.db2.gz JXSRONYUDNZCGP-UHFFFAOYSA-N 0 3 223.276 0.531 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000234811957 388360766 /nfs/dbraw/zinc/36/07/66/388360766.db2.gz ZQAWSHDMAAISKE-OLZOCXBDSA-N 0 3 248.326 0.976 20 0 BCADHN [NH3+]CC1(CC(=O)NCc2ncccc2[O-])CC1 ZINC000646451097 388360978 /nfs/dbraw/zinc/36/09/78/388360978.db2.gz HQHPAIZOBVUAGC-UHFFFAOYSA-N 0 3 235.287 0.532 20 0 BCADHN CO[C@H](C)CNC(=O)[C@H]1NCC1(C)C ZINC000646456887 388361534 /nfs/dbraw/zinc/36/15/34/388361534.db2.gz PTKCXRVHLITYET-HTQZYQBOSA-N 0 3 200.282 0.136 20 0 BCADHN CCN(CC)C(=O)CN[C@H]1C[C@H](O)C1(C)C ZINC000163417437 388362138 /nfs/dbraw/zinc/36/21/38/388362138.db2.gz CNVFXEULKVLFIH-UWVGGRQHSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1c(NC(=O)[C@H]2NCC2(C)C)cnn1C ZINC000646466871 388362176 /nfs/dbraw/zinc/36/21/76/388362176.db2.gz GSBCQJPCAQTBHH-SECBINFHSA-N 0 3 222.292 0.665 20 0 BCADHN C[C@@H](CNC(=O)c1cncc(Cl)n1)N(C)C ZINC000235111696 388365652 /nfs/dbraw/zinc/36/56/52/388365652.db2.gz FHNBHIHINNYMEE-ZETCQYMHSA-N 0 3 242.710 0.810 20 0 BCADHN c1cnn(CCCNCc2cnccn2)c1 ZINC000163731340 388366936 /nfs/dbraw/zinc/36/69/36/388366936.db2.gz NFCMZYZEBGRGPG-UHFFFAOYSA-N 0 3 217.276 0.853 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)[C@H](C)OC ZINC000191652728 256646100 /nfs/dbraw/zinc/64/61/00/256646100.db2.gz LJYAAHCJTSBUNS-UTLUCORTSA-N 0 3 237.365 0.823 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1nc2cccnc2[nH]1 ZINC000646508224 388370962 /nfs/dbraw/zinc/37/09/62/388370962.db2.gz ZVNVQEMBIUDAHL-SNVBAGLBSA-N 0 3 247.302 0.557 20 0 BCADHN Cc1n[nH]cc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000524720144 388375938 /nfs/dbraw/zinc/37/59/38/388375938.db2.gz ZGSAKPUKDJWKIU-SECBINFHSA-N 0 3 236.319 0.790 20 0 BCADHN COC(=O)c1cc(CNCC[C@@H](C)O)c[nH]1 ZINC000165591869 388405619 /nfs/dbraw/zinc/40/56/19/388405619.db2.gz JQBUMJZPCGNVAE-MRVPVSSYSA-N 0 3 226.276 0.662 20 0 BCADHN CSCC(=O)NCCN1CC[C@H](C)C1 ZINC000524719610 388376266 /nfs/dbraw/zinc/37/62/66/388376266.db2.gz CIUUZFYPGUCBHU-VIFPVBQESA-N 0 3 216.350 0.807 20 0 BCADHN CSCC(=O)NCCN1CC[C@@H](C)C1 ZINC000524719609 388376555 /nfs/dbraw/zinc/37/65/55/388376555.db2.gz CIUUZFYPGUCBHU-SECBINFHSA-N 0 3 216.350 0.807 20 0 BCADHN COCCOCC(=O)NCCN1CC[C@@H](C)C1 ZINC000524720693 388377273 /nfs/dbraw/zinc/37/72/73/388377273.db2.gz OBBPIHSSAXSWLO-LLVKDONJSA-N 0 3 244.335 0.107 20 0 BCADHN CN[C@H](C)C(=O)N1CCc2nc(C)ncc2C1 ZINC000519618946 256653464 /nfs/dbraw/zinc/65/34/64/256653464.db2.gz UUKJZOYIYJANRM-MRVPVSSYSA-N 0 3 234.303 0.278 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@H]2NCC2(C)C)no1 ZINC000646535616 388377938 /nfs/dbraw/zinc/37/79/38/388377938.db2.gz ZYSQNLYXMSWZNK-SECBINFHSA-N 0 3 238.291 0.334 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000519650591 256654605 /nfs/dbraw/zinc/65/46/05/256654605.db2.gz OWSRPYQKHUUXGR-QMMMGPOBSA-N 0 3 235.287 0.640 20 0 BCADHN C=Cn1cc(CNC[C@@H](O)C2CC2)cn1 ZINC000236554797 388379945 /nfs/dbraw/zinc/37/99/45/388379945.db2.gz VMVFWSZBSBKAEB-LLVKDONJSA-N 0 3 207.277 0.844 20 0 BCADHN CC(C)[C@@H](NC(=O)CN)c1nnc2ccccn21 ZINC000236601981 388380079 /nfs/dbraw/zinc/38/00/79/388380079.db2.gz PEVRJRDKDYCDPK-LLVKDONJSA-N 0 3 247.302 0.501 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H](C)C[C@@H](C)O ZINC000236752908 388381787 /nfs/dbraw/zinc/38/17/87/388381787.db2.gz QPNFGXDQPXQOQK-AEJSXWLSSA-N 0 3 216.325 0.493 20 0 BCADHN CCCC[C@@H](N)C(=O)NCC(=O)NCC1CC1 ZINC000236731642 388382216 /nfs/dbraw/zinc/38/22/16/388382216.db2.gz AJFCAJAQFOWLFU-SNVBAGLBSA-N 0 3 241.335 0.146 20 0 BCADHN CCCC[C@@H](N)C(=O)NC[C@H](C)C(=O)OC ZINC000236762673 388382603 /nfs/dbraw/zinc/38/26/03/388382603.db2.gz BBXIZLOVGCOKOX-DTWKUNHWSA-N 0 3 230.308 0.429 20 0 BCADHN CC(C)[C@](C)(O)CNCc1cncn1C ZINC000236692831 388382760 /nfs/dbraw/zinc/38/27/60/388382760.db2.gz SEUNYHAYUCKDCE-LLVKDONJSA-N 0 3 211.309 0.917 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)C1(N)CCCC1 ZINC000236814619 388383697 /nfs/dbraw/zinc/38/36/97/388383697.db2.gz UWAQMHKKGQTQBE-SNVBAGLBSA-N 0 3 228.336 0.781 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)[C@@H](N)C(C)C ZINC000236814945 388383778 /nfs/dbraw/zinc/38/37/78/388383778.db2.gz FLLIAKCZXGEDSE-ZJUUUORDSA-N 0 3 216.325 0.493 20 0 BCADHN CCCCOCCOCCNC(=O)C(C)(C)N ZINC000236835074 388384612 /nfs/dbraw/zinc/38/46/12/388384612.db2.gz NZNHZLGKYJCRFN-UHFFFAOYSA-N 0 3 246.351 0.673 20 0 BCADHN CC[C@@H](NC(=O)CNC)c1c(C)nn(C)c1C ZINC000236901126 388386257 /nfs/dbraw/zinc/38/62/57/388386257.db2.gz JOHCISFTCUORRQ-SNVBAGLBSA-N 0 3 238.335 0.824 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000236926474 388386657 /nfs/dbraw/zinc/38/66/57/388386657.db2.gz KGZWUNIZIKWBEX-AEJSXWLSSA-N 0 3 230.308 0.034 20 0 BCADHN COC(=O)[C@@](C)(O)CN[C@@H](C)c1cccnc1 ZINC000228637197 388386720 /nfs/dbraw/zinc/38/67/20/388386720.db2.gz KJDLUJLNACKSSX-CABZTGNLSA-N 0 3 238.287 0.656 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC(=O)NCC1CC1 ZINC000236915954 388386790 /nfs/dbraw/zinc/38/67/90/388386790.db2.gz JNIYPVBBSNFXTP-KCJUWKMLSA-N 0 3 241.335 0.002 20 0 BCADHN COC(=O)[C@](C)(O)CN[C@H](C)c1cccnc1 ZINC000228637220 388386886 /nfs/dbraw/zinc/38/68/86/388386886.db2.gz KJDLUJLNACKSSX-BXKDBHETSA-N 0 3 238.287 0.656 20 0 BCADHN CO[C@H]1CC[C@@H](NCc2cnnn2C)C1 ZINC000231681016 388387306 /nfs/dbraw/zinc/38/73/06/388387306.db2.gz NNAYZUJTIZRBAB-SCZZXKLOSA-N 0 3 210.281 0.472 20 0 BCADHN CCO[C@H]1C[C@@H](NC(=O)CN)C12CCC2 ZINC000236951533 388387430 /nfs/dbraw/zinc/38/74/30/388387430.db2.gz WVBRENYMBWGDFX-BDAKNGLRSA-N 0 3 212.293 0.409 20 0 BCADHN CCOC(=O)[C@H](NC(=O)[C@@H](N)CC)[C@H](C)CC ZINC000236969008 388387491 /nfs/dbraw/zinc/38/74/91/388387491.db2.gz YISGLSMEHFIWLZ-KXUCPTDWSA-N 0 3 244.335 0.818 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H](C)CC(=O)OC ZINC000236978998 388387610 /nfs/dbraw/zinc/38/76/10/388387610.db2.gz OWTLFBYMZYXTCY-JGVFFNPUSA-N 0 3 216.281 0.182 20 0 BCADHN CCc1cc(C(=O)N2CCCNCC2)cc(=O)[nH]1 ZINC000646595308 388392688 /nfs/dbraw/zinc/39/26/88/388392688.db2.gz ILBVOWYRICFNKA-UHFFFAOYSA-N 0 3 249.314 0.785 20 0 BCADHN Cc1nc(C)c(CNC(=O)C2(N)CC2)s1 ZINC000237606052 388396557 /nfs/dbraw/zinc/39/65/57/388396557.db2.gz UVQIZTABKUXFAY-UHFFFAOYSA-N 0 3 225.317 0.867 20 0 BCADHN Cc1ccc([C@H](O)CNC(=O)CN)cc1 ZINC000237619598 388396607 /nfs/dbraw/zinc/39/66/07/388396607.db2.gz IVUKDDLYLJINHT-SNVBAGLBSA-N 0 3 208.261 0.103 20 0 BCADHN COC[C@H](O)CNCc1ccc(C)c(C)n1 ZINC000314114550 388396772 /nfs/dbraw/zinc/39/67/72/388396772.db2.gz CTBQIAUMORWOBW-GFCCVEGCSA-N 0 3 224.304 0.795 20 0 BCADHN CO[C@H](C)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000300997993 388397304 /nfs/dbraw/zinc/39/73/04/388397304.db2.gz WQCXUHHLLZHIQU-SCZZXKLOSA-N 0 3 212.297 0.969 20 0 BCADHN COCC[C@H](CO)NCc1c(C)n[nH]c1C ZINC000300844538 388398597 /nfs/dbraw/zinc/39/85/97/388398597.db2.gz KDVNTJLWRAZXJX-SNVBAGLBSA-N 0 3 227.308 0.514 20 0 BCADHN CC1(C)[C@H](NC(=O)C2(N)CCC2)[C@@H]2CCO[C@@H]21 ZINC000572957997 388399525 /nfs/dbraw/zinc/39/95/25/388399525.db2.gz ARXZQHBFBJWATK-AEJSXWLSSA-N 0 3 238.331 0.798 20 0 BCADHN O[C@H](CN1CCCOCC1)CC1(O)CCC1 ZINC000528367042 388401950 /nfs/dbraw/zinc/40/19/50/388401950.db2.gz VSFWKGKTSGKFGR-NSHDSACASA-N 0 3 229.320 0.375 20 0 BCADHN Cc1nc[nH]c1CNC(=O)/C=C/CN(C)C ZINC000492113696 388335314 /nfs/dbraw/zinc/33/53/14/388335314.db2.gz XRAJFHASKSMYOE-SNAWJCMRSA-N 0 3 222.292 0.452 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000492146737 388336590 /nfs/dbraw/zinc/33/65/90/388336590.db2.gz VHKSKBFZDOHKAA-BYCRGOAPSA-N 0 3 248.330 0.501 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)/C=C/C1CCC1 ZINC000492188269 388337703 /nfs/dbraw/zinc/33/77/03/388337703.db2.gz BSCNDKNLFOQWNX-GWJCSSMESA-N 0 3 240.347 0.772 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000492228193 388338666 /nfs/dbraw/zinc/33/86/66/388338666.db2.gz ZDQFHXYUSLEEKL-PJAPWPDISA-N 0 3 226.320 0.524 20 0 BCADHN Cc1c(CNC(=O)/C=C\CN(C)C)cnn1C ZINC000492271622 388339936 /nfs/dbraw/zinc/33/99/36/388339936.db2.gz MKHPFYXNVVSVEB-WAYWQWQTSA-N 0 3 236.319 0.463 20 0 BCADHN O=C([C@H]1CCCCO1)N1CCN2CCC[C@H]2C1 ZINC000246208358 388440251 /nfs/dbraw/zinc/44/02/51/388440251.db2.gz NQQMQBOOWDBSPE-NWDGAFQWSA-N 0 3 238.331 0.862 20 0 BCADHN CCS(=O)(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246245854 388441293 /nfs/dbraw/zinc/44/12/93/388441293.db2.gz SADOBHBHBIPGTL-UWVGGRQHSA-N 0 3 234.365 0.751 20 0 BCADHN CC(C(=O)N1CC[C@@H](C)[C@@H]1C)S(C)(=O)=O ZINC000246695516 388445564 /nfs/dbraw/zinc/44/55/64/388445564.db2.gz DYARKFOABAUKEZ-VGMNWLOBSA-N 0 3 233.333 0.676 20 0 BCADHN CC(=O)CCC(=O)NC(C)(C)CN(C)C ZINC000308686593 388447980 /nfs/dbraw/zinc/44/79/80/388447980.db2.gz CKJXXKXVPOIBTE-UHFFFAOYSA-N 0 3 214.309 0.812 20 0 BCADHN N[C@@H](C(=O)Nc1ccncc1)C1CCC1 ZINC000335067106 388448240 /nfs/dbraw/zinc/44/82/40/388448240.db2.gz JCRXKSDWIJXQRH-SNVBAGLBSA-N 0 3 205.261 0.569 20 0 BCADHN C[C@H](O)CN1CCC(F)(F)[C@@H](CO)C1 ZINC000339207058 388481018 /nfs/dbraw/zinc/48/10/18/388481018.db2.gz BBLRTOAHTBELDN-JGVFFNPUSA-N 0 3 209.236 0.317 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)N1CCCC1 ZINC000042506793 388458334 /nfs/dbraw/zinc/45/83/34/388458334.db2.gz RUZHURADIDKDQM-JTQLQIEISA-N 0 3 249.314 0.589 20 0 BCADHN CO[C@@H]1CCN(C[C@@H](O)CSC)C1 ZINC000336655153 388458431 /nfs/dbraw/zinc/45/84/31/388458431.db2.gz OLHJDGHKPPBBTM-RKDXNWHRSA-N 0 3 205.323 0.431 20 0 BCADHN COC(=O)N1CC(NC2CCC(O)CC2)C1 ZINC000309668530 388460849 /nfs/dbraw/zinc/46/08/49/388460849.db2.gz VCQUYYJIOMAJHP-UHFFFAOYSA-N 0 3 228.292 0.330 20 0 BCADHN CN(C)CCNC(=O)c1cccc2[nH]cnc21 ZINC000074732343 388461921 /nfs/dbraw/zinc/46/19/21/388461921.db2.gz OGAMKUPVSGZTQC-UHFFFAOYSA-N 0 3 232.287 0.854 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@@H](N)CC(F)F ZINC000336676567 388462199 /nfs/dbraw/zinc/46/21/99/388462199.db2.gz HSDDRBOXOSQOMO-RQJHMYQMSA-N 0 3 224.251 0.246 20 0 BCADHN CN(CC1CC1)C(=O)[C@H](N)CC(F)F ZINC000336699553 388464475 /nfs/dbraw/zinc/46/44/75/388464475.db2.gz WPIXCKCVRJHVOI-SSDOTTSWSA-N 0 3 206.236 0.837 20 0 BCADHN O=C(c1cn[nH]n1)N1CC[C@H](N2CCCC2)C1 ZINC000112282026 388464765 /nfs/dbraw/zinc/46/47/65/388464765.db2.gz PBDXMPVLCFSDOW-VIFPVBQESA-N 0 3 235.291 0.115 20 0 BCADHN CS[C@H](C)C(=O)NCCNc1ccncc1 ZINC000336712244 388466604 /nfs/dbraw/zinc/46/66/04/388466604.db2.gz SQLZQNNNYLLNSA-SECBINFHSA-N 0 3 239.344 0.783 20 0 BCADHN COc1nnc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[n-]1 ZINC000648848830 388468271 /nfs/dbraw/zinc/46/82/71/388468271.db2.gz PVQDNCLEHVXTNY-RNFRBKRXSA-N 0 3 239.279 0.092 20 0 BCADHN COc1nnc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[n-]1 ZINC000648848830 388468273 /nfs/dbraw/zinc/46/82/73/388468273.db2.gz PVQDNCLEHVXTNY-RNFRBKRXSA-N 0 3 239.279 0.092 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@@H]1CCCCO1 ZINC000193973028 388474460 /nfs/dbraw/zinc/47/44/60/388474460.db2.gz PLIVJBQINMKWRU-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN CCCS(=O)(=O)NCCN1CC[C@H](C)C1 ZINC000524790694 388410660 /nfs/dbraw/zinc/41/06/60/388410660.db2.gz WCFJWGPEAWOWJT-JTQLQIEISA-N 0 3 234.365 0.658 20 0 BCADHN Cc1noc(C)c1CCN(CCO)CCCO ZINC000165775889 388411506 /nfs/dbraw/zinc/41/15/06/388411506.db2.gz SZLMRPPUKJYHKP-UHFFFAOYSA-N 0 3 242.319 0.511 20 0 BCADHN COC1(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000648818996 388411903 /nfs/dbraw/zinc/41/19/03/388411903.db2.gz SNKPOSPJMQAJRY-UWVGGRQHSA-N 0 3 238.331 0.907 20 0 BCADHN CO[C@H](C)CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000261538646 135176199 /nfs/dbraw/zinc/17/61/99/135176199.db2.gz YUTOLYBTKAAPJZ-BBBLOLIVSA-N 0 3 214.309 0.526 20 0 BCADHN CCC(=O)N1CCCN(C[C@H]2CCOC2)CC1 ZINC000525119982 388416369 /nfs/dbraw/zinc/41/63/69/388416369.db2.gz HXLKBLQBNSWHID-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN C[C@H](Cn1cccn1)NC(=O)[C@@H](C)NC1CC1 ZINC000296272142 388419810 /nfs/dbraw/zinc/41/98/10/388419810.db2.gz DTPSQQXDIIBVEL-NXEZZACHSA-N 0 3 236.319 0.528 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@@H]2CCCOC2)C1 ZINC000525291491 388424737 /nfs/dbraw/zinc/42/47/37/388424737.db2.gz IPLSZVDMVDMMDD-NWDGAFQWSA-N 0 3 240.347 0.871 20 0 BCADHN Cc1cc(CC(=O)N[C@H]2CCN(C3CC3)C2)no1 ZINC000525313422 388425407 /nfs/dbraw/zinc/42/54/07/388425407.db2.gz LQXFXHDNWOWLKY-JTQLQIEISA-N 0 3 249.314 0.878 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000245668519 388427127 /nfs/dbraw/zinc/42/71/27/388427127.db2.gz BQFYALLKBGWIES-NTZNESFSSA-N 0 3 238.331 0.502 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)OC1CCC1 ZINC000322356540 388432082 /nfs/dbraw/zinc/43/20/82/388432082.db2.gz GVZUOHZRJBVWBE-NSHDSACASA-N 0 3 230.308 0.578 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCOCC2)C[C@H]1C ZINC000245951110 388434694 /nfs/dbraw/zinc/43/46/94/388434694.db2.gz SNSRMEMQKZMKBR-NWDGAFQWSA-N 0 3 240.347 0.823 20 0 BCADHN C[C@@H]1CCN(CCNS(C)(=O)=O)C[C@H]1C ZINC000245935317 388435268 /nfs/dbraw/zinc/43/52/68/388435268.db2.gz QAHXBOYMEPNEHE-NXEZZACHSA-N 0 3 234.365 0.514 20 0 BCADHN CC(C)N1CC[C@H](N2CCC[C@](C)(O)C2)C1=O ZINC000245961931 388435576 /nfs/dbraw/zinc/43/55/76/388435576.db2.gz VAPJGZCMEGFOPH-AAEUAGOBSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H]1OCC[C@H]1N[C@H]1CCCCNC1=O ZINC000245971661 388435780 /nfs/dbraw/zinc/43/57/80/388435780.db2.gz VXBBXZFQDIILJJ-AEJSXWLSSA-N 0 3 212.293 0.422 20 0 BCADHN CNC(=O)CN[C@@H]1C[C@@H](OC)C12CCC2 ZINC000308343720 388436538 /nfs/dbraw/zinc/43/65/38/388436538.db2.gz LHRIGLRSFIEBJZ-RKDXNWHRSA-N 0 3 212.293 0.280 20 0 BCADHN CCCS(=O)(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246132609 388439229 /nfs/dbraw/zinc/43/92/29/388439229.db2.gz JSAANYLPYBKCLC-GHMZBOCLSA-N 0 3 248.392 0.998 20 0 BCADHN CCn1ccnc1CN(C)CCN(C)C ZINC000517438387 388550440 /nfs/dbraw/zinc/55/04/40/388550440.db2.gz AXMSAWWXMWIJFV-UHFFFAOYSA-N 0 3 210.325 0.896 20 0 BCADHN Cc1cnccc1CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000528510046 388538779 /nfs/dbraw/zinc/53/87/79/388538779.db2.gz PCHZVNZYISUGPV-STQMWFEESA-N 0 3 235.331 0.497 20 0 BCADHN CO[C@H](CN)C(=O)NCC1(CC(C)C)CC1 ZINC000353001369 388540553 /nfs/dbraw/zinc/54/05/53/388540553.db2.gz MZOCVQOEFCEFQW-SNVBAGLBSA-N 0 3 228.336 0.903 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@@H](C)C[C@@H](C)O ZINC000353212594 388541502 /nfs/dbraw/zinc/54/15/02/388541502.db2.gz MAAPUCXOTLJAPK-AEJSXWLSSA-N 0 3 248.392 0.590 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)Cc1cc[nH]n1 ZINC000353666295 388541836 /nfs/dbraw/zinc/54/18/36/388541836.db2.gz ZNFZOWPFVHHYRW-JTQLQIEISA-N 0 3 224.308 0.742 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)Cc1nccs1 ZINC000353470314 388542160 /nfs/dbraw/zinc/54/21/60/388542160.db2.gz QODLGYFNGXRODA-ZETCQYMHSA-N 0 3 229.305 0.075 20 0 BCADHN CSCC[C@H](N)C(=O)N(C)Cc1cc[nH]n1 ZINC000353665181 388542254 /nfs/dbraw/zinc/54/22/54/388542254.db2.gz RLROJSONRYUTCK-VIFPVBQESA-N 0 3 242.348 0.449 20 0 BCADHN COC[C@@H](N[C@H](C)C(=O)NC1CC1)C1CC1 ZINC000136627736 388542981 /nfs/dbraw/zinc/54/29/81/388542981.db2.gz ZAGUBSMJPGVEJL-LDYMZIIASA-N 0 3 226.320 0.668 20 0 BCADHN CCC(CC)CC(=O)N1CCN(C)C[C@H]1CN ZINC000517234595 388543910 /nfs/dbraw/zinc/54/39/10/388543910.db2.gz MBCLFBKGCDJUJM-GFCCVEGCSA-N 0 3 241.379 0.914 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1C[C@@H](O)CC1(O)CCC1 ZINC000528526014 388544249 /nfs/dbraw/zinc/54/42/49/388544249.db2.gz HXCJKGCFUXFHAU-WOPDTQHZSA-N 0 3 243.347 0.498 20 0 BCADHN Cc1nocc1CNC[C@@]1(O)CCN(C)C1 ZINC000339347633 388483129 /nfs/dbraw/zinc/48/31/29/388483129.db2.gz CUZACURKSYPPJQ-NSHDSACASA-N 0 3 225.292 0.139 20 0 BCADHN CC[C@H](NCc1cnnn1C)C(C)(C)O ZINC000339539422 388485506 /nfs/dbraw/zinc/48/55/06/388485506.db2.gz LWTDLGDWVHJUGI-VIFPVBQESA-N 0 3 212.297 0.454 20 0 BCADHN CC(C)[C@H]1CN(CCOCCO)CCCO1 ZINC000339832713 388488054 /nfs/dbraw/zinc/48/80/54/388488054.db2.gz YXOZQWOWVOGPIF-GFCCVEGCSA-N 0 3 231.336 0.742 20 0 BCADHN CCN(CC)C(=O)[C@@H]1CCCN1CCO ZINC000177721687 388489749 /nfs/dbraw/zinc/48/97/49/388489749.db2.gz IYYGYNNTCRCLQP-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN C[C@@H](CN[C@H]1CCOC1(C)C)S(C)(=O)=O ZINC000340310688 388489949 /nfs/dbraw/zinc/48/99/49/388489949.db2.gz RPBQGMHGURYZOF-IUCAKERBSA-N 0 3 235.349 0.577 20 0 BCADHN CCN(CC)C(=O)[C@H]1CCCN1CCO ZINC000177721698 388490047 /nfs/dbraw/zinc/49/00/47/388490047.db2.gz IYYGYNNTCRCLQP-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN COC(C)(C)[C@@H](C)NCC(=O)NCC1CC1 ZINC000340355300 388490236 /nfs/dbraw/zinc/49/02/36/388490236.db2.gz OXMVBOJQOJZFKV-SECBINFHSA-N 0 3 228.336 0.916 20 0 BCADHN CCCNC(=O)NC(=O)CN(C)CCC1CC1 ZINC000135305228 388490864 /nfs/dbraw/zinc/49/08/64/388490864.db2.gz AEFGGWBRZSOSLI-UHFFFAOYSA-N 0 3 241.335 0.954 20 0 BCADHN COC[C@@H](C)N[C@@H](C)C(=O)NCc1ccco1 ZINC000034937101 388492783 /nfs/dbraw/zinc/49/27/83/388492783.db2.gz OTXTYHZCXUOTLR-ZJUUUORDSA-N 0 3 240.303 0.909 20 0 BCADHN COC[C@@H](C)N[C@H](C)C(=O)N1CCCC1 ZINC000034936848 388492970 /nfs/dbraw/zinc/49/29/70/388492970.db2.gz RGDNSMXZKZOXBQ-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H](C(=O)NCCNC(=O)C(C)C)N(C)C ZINC000177953998 388494311 /nfs/dbraw/zinc/49/43/11/388494311.db2.gz VMXQATVQOFIJAD-SNVBAGLBSA-N 0 3 243.351 0.215 20 0 BCADHN CC[C@H]1CN(CCOCCOC)C[C@@H]1O ZINC000341045402 388494990 /nfs/dbraw/zinc/49/49/90/388494990.db2.gz LIWDVIFLNLSWRM-QWRGUYRKSA-N 0 3 217.309 0.352 20 0 BCADHN COCCCN(C)CCNC(=O)C(C)(C)CO ZINC000547928722 388495268 /nfs/dbraw/zinc/49/52/68/388495268.db2.gz UCBWCWFWUMGJIJ-UHFFFAOYSA-N 0 3 246.351 0.089 20 0 BCADHN C[C@@H](NCC1=CCCOC1)C(=O)N1CCCC1 ZINC000341472655 388495489 /nfs/dbraw/zinc/49/54/89/388495489.db2.gz WDTVLXFFVIIOKQ-LLVKDONJSA-N 0 3 238.331 0.934 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCCOC1)N(C)C ZINC000178095857 388495928 /nfs/dbraw/zinc/49/59/28/388495928.db2.gz BJNPPXUQNSKGHG-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1nn(C)cc1CNCC1(N(C)C)CC1 ZINC000397736472 388495933 /nfs/dbraw/zinc/49/59/33/388495933.db2.gz CAJYXJFHVFIPRL-UHFFFAOYSA-N 0 3 222.336 0.912 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](C)COC)N(C)C ZINC000178250516 388497053 /nfs/dbraw/zinc/49/70/53/388497053.db2.gz MAKWUUYENXIXPG-UWVGGRQHSA-N 0 3 216.325 0.725 20 0 BCADHN CN(CC(=O)N(C)C1CC1)C[C@@H]1CCOC1 ZINC000178348569 388498344 /nfs/dbraw/zinc/49/83/44/388498344.db2.gz UYOZKLPMDQVUMM-JTQLQIEISA-N 0 3 226.320 0.576 20 0 BCADHN CCCCNC(=O)CN(C)C[C@H]1CCOC1 ZINC000178363530 388499512 /nfs/dbraw/zinc/49/95/12/388499512.db2.gz MICLLUHRMUMKSH-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CN(CC(=O)NCC1CCC1)C[C@@H]1CCOC1 ZINC000178370103 388499761 /nfs/dbraw/zinc/49/97/61/388499761.db2.gz JHMOWZARVKIQEV-LBPRGKRZSA-N 0 3 240.347 0.871 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCS[C@H](C)CC1 ZINC000343914324 388503407 /nfs/dbraw/zinc/50/34/07/388503407.db2.gz FIGCYPVLTLNPOK-KOLCDFICSA-N 0 3 247.360 0.738 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)C1 ZINC000517375382 388549267 /nfs/dbraw/zinc/54/92/67/388549267.db2.gz VUGDRJCHFDKBNV-GHMZBOCLSA-N 0 3 238.331 0.956 20 0 BCADHN CC[C@]1(NCC(=O)NCCCOC)CCOC1 ZINC000378807274 388507443 /nfs/dbraw/zinc/50/74/43/388507443.db2.gz WUNDOQSASTYKNN-LBPRGKRZSA-N 0 3 244.335 0.298 20 0 BCADHN CN(C)C1(CNC(=O)c2ccc(=O)[nH]c2)CC1 ZINC000397883097 388508928 /nfs/dbraw/zinc/50/89/28/388508928.db2.gz ZZKIAJAHNZWSTH-UHFFFAOYSA-N 0 3 235.287 0.611 20 0 BCADHN CO[C@H](CNCC(C)(C)S(C)(=O)=O)C1CC1 ZINC000378810499 388509555 /nfs/dbraw/zinc/50/95/55/388509555.db2.gz ZYGPGOAOGWDESC-SNVBAGLBSA-N 0 3 249.376 0.824 20 0 BCADHN C[C@@H]1C[C@H](C)N1C[C@@H](O)Cn1cccn1 ZINC000548096781 388510499 /nfs/dbraw/zinc/51/04/99/388510499.db2.gz VPKRZFSRPJPVIU-AXFHLTTASA-N 0 3 209.293 0.727 20 0 BCADHN C[C@@H]1C[C@@H](C)N1CCCN1C(=O)CNC1=O ZINC000548096329 388511236 /nfs/dbraw/zinc/51/12/36/388511236.db2.gz TYBXLWYPICTRJF-RKDXNWHRSA-N 0 3 225.292 0.411 20 0 BCADHN C[C@@H](CCO)CN[C@H]1CCn2ccnc21 ZINC000345342033 388512524 /nfs/dbraw/zinc/51/25/24/388512524.db2.gz FNSALXWALIZTDE-UWVGGRQHSA-N 0 3 209.293 0.936 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CC[C@@](C)(O)C2)C1 ZINC000516672303 388513895 /nfs/dbraw/zinc/51/38/95/388513895.db2.gz LLJMZLWSYYSWRM-CMPLNLGQSA-N 0 3 226.320 0.312 20 0 BCADHN COCCNc1cc(NCCOC)nc(C)n1 ZINC000240742598 388515007 /nfs/dbraw/zinc/51/50/07/388515007.db2.gz AQNITKPPEKTHBG-UHFFFAOYSA-N 0 3 240.307 0.902 20 0 BCADHN CCc1nncn1CCNCc1ccn(C)c1 ZINC000548117536 388515063 /nfs/dbraw/zinc/51/50/63/388515063.db2.gz LTDSPOTZHIAJPT-UHFFFAOYSA-N 0 3 233.319 0.969 20 0 BCADHN CN(C[C@H](O)CC1(O)CCC1)[C@@H]1CCOC1 ZINC000528379684 388518319 /nfs/dbraw/zinc/51/83/19/388518319.db2.gz MNAIBWXIBBRKNJ-GHMZBOCLSA-N 0 3 229.320 0.373 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCOCC2(C)C)C1 ZINC000520834712 388518768 /nfs/dbraw/zinc/51/87/68/388518768.db2.gz LBLADWYJRMNFEA-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCOCCNC(=O)NCCN1CCCCC1 ZINC000078987650 388519573 /nfs/dbraw/zinc/51/95/73/388519573.db2.gz BJMVVXSXRSNCLQ-UHFFFAOYSA-N 0 3 243.351 0.808 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C[C@@H](O)CC1(O)CCC1 ZINC000528426793 388523505 /nfs/dbraw/zinc/52/35/05/388523505.db2.gz HBXVRXWUIOBHCS-MXWKQRLJSA-N 0 3 229.320 0.108 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C[C@H](O)CC1(O)CCC1 ZINC000528426795 388523998 /nfs/dbraw/zinc/52/39/98/388523998.db2.gz HBXVRXWUIOBHCS-OUAUKWLOSA-N 0 3 229.320 0.108 20 0 BCADHN O=C(CC1CC1)NCCCN1CCC(O)CC1 ZINC000136140943 388524785 /nfs/dbraw/zinc/52/47/85/388524785.db2.gz FZESDWBRJZFYQE-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN CNCC(=O)N[C@H](C(=O)OC)C1CCCCC1 ZINC000516927921 388525212 /nfs/dbraw/zinc/52/52/12/388525212.db2.gz VKJDMSQDKYAQKR-NSHDSACASA-N 0 3 242.319 0.444 20 0 BCADHN O=C1NCC[C@@H]1N[C@@H]1CCC[C@H]1OC(F)F ZINC000348222506 388526672 /nfs/dbraw/zinc/52/66/72/388526672.db2.gz LOCGMMPTBCNPJT-GJMOJQLCSA-N 0 3 234.246 0.625 20 0 BCADHN C[C@@H](C(=O)N(C)C)N(C)CCCCO ZINC000349907368 388529126 /nfs/dbraw/zinc/52/91/26/388529126.db2.gz HZTXETVUCNWBCM-VIFPVBQESA-N 0 3 202.298 0.167 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCC(=O)C2)CCN1C ZINC000516971614 388529772 /nfs/dbraw/zinc/52/97/72/388529772.db2.gz FTTUOXKRIHRANO-OUAUKWLOSA-N 0 3 238.331 0.955 20 0 BCADHN Cc1cc(C)n(CCN2C[C@H](C)[C@H](O)C2)n1 ZINC000351807100 388534406 /nfs/dbraw/zinc/53/44/06/388534406.db2.gz GSYCIFFDEHBORG-JOYOIKCWSA-N 0 3 223.320 0.813 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000245518433 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MZKDZNDFVZYKME-RYUDHWBXSA-N 0 3 231.336 0.885 20 0 BCADHN CO[C@H]1CCCN(C[C@@H](O)CSC)C1 ZINC000249424269 388721036 /nfs/dbraw/zinc/72/10/36/388721036.db2.gz FDXYKKLAKYVVAO-ZJUUUORDSA-N 0 3 219.350 0.821 20 0 BCADHN CSC[C@H](O)CN1CCC[C@H]1C(=O)N(C)C ZINC000249449446 388722196 /nfs/dbraw/zinc/72/21/96/388722196.db2.gz LVMFSACDTMRGIU-ZJUUUORDSA-N 0 3 246.376 0.263 20 0 BCADHN C[C@@H]1CN(CCN2CCC[C@](C)(O)C2)CCO1 ZINC000249460500 388723136 /nfs/dbraw/zinc/72/31/36/388723136.db2.gz ZHMCDHFAOGRMGK-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN CCCN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000249500434 388723918 /nfs/dbraw/zinc/72/39/18/388723918.db2.gz IIZJLAJXASJDBC-QWRGUYRKSA-N 0 3 200.326 0.783 20 0 BCADHN CCOCCN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000249516693 388725747 /nfs/dbraw/zinc/72/57/47/388725747.db2.gz RMMQKQCELQDGFG-VXGBXAGGSA-N 0 3 230.352 0.410 20 0 BCADHN CC[C@@H](O)CN1CC[C@H](C)C[C@H]1C(N)=O ZINC000249569004 388728387 /nfs/dbraw/zinc/72/83/87/388728387.db2.gz NSEVDYMAXPEFOS-AEJSXWLSSA-N 0 3 214.309 0.343 20 0 BCADHN C[C@H]1CCN(CCCF)[C@@H](C(N)=O)C1 ZINC000249604039 388729228 /nfs/dbraw/zinc/72/92/28/388729228.db2.gz ZCOBZDSVSZLBFX-DTWKUNHWSA-N 0 3 202.273 0.932 20 0 BCADHN Cc1ccc(CC(=O)NCCN(C)C)cn1 ZINC000127678830 388729256 /nfs/dbraw/zinc/72/92/56/388729256.db2.gz QRSDTJNPXTWIPW-UHFFFAOYSA-N 0 3 221.304 0.610 20 0 BCADHN CSCCN1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249592799 388729702 /nfs/dbraw/zinc/72/97/02/388729702.db2.gz VYFRNSPXVYORLD-DTWKUNHWSA-N 0 3 216.350 0.935 20 0 BCADHN CO[C@H](C)CN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249587010 388730332 /nfs/dbraw/zinc/73/03/32/388730332.db2.gz UENFUVKVCILBTB-OPRDCNLKSA-N 0 3 214.309 0.607 20 0 BCADHN C[C@H]1CCN(CCCCCO)[C@@H](C(N)=O)C1 ZINC000249606912 388730347 /nfs/dbraw/zinc/73/03/47/388730347.db2.gz ZZRCDEOBYZTEGH-WDEREUQCSA-N 0 3 228.336 0.735 20 0 BCADHN C[C@@H]1COCCN1CCN1CC[C@](C)(O)C1 ZINC000249656476 388730993 /nfs/dbraw/zinc/73/09/93/388730993.db2.gz ZQAJBRWTRCEEPI-NEPJUHHUSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@H](CNC(=O)c1cnc[nH]1)N1CCCC1 ZINC000522247432 388733777 /nfs/dbraw/zinc/73/37/77/388733777.db2.gz TVTVZCVHSLPZNO-SECBINFHSA-N 0 3 222.292 0.624 20 0 BCADHN CN(CC(=O)NCC1CC1)[C@@H]1CCCC[C@H]1O ZINC000252923135 388792739 /nfs/dbraw/zinc/79/27/39/388792739.db2.gz JKHAIVVRUNUQPK-VXGBXAGGSA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@@H](O)CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000540042957 388792964 /nfs/dbraw/zinc/79/29/64/388792964.db2.gz MNPIWKBDKUGMBJ-GARJFASQSA-N 0 3 200.326 0.782 20 0 BCADHN Cc1c(CNCCC(C)(C)O)cnn1C ZINC000229523277 388793376 /nfs/dbraw/zinc/79/33/76/388793376.db2.gz QRTXRKQODMQASA-UHFFFAOYSA-N 0 3 211.309 0.979 20 0 BCADHN CC(C)NC(=O)NCCN1CCC(CO)CC1 ZINC000553996627 388795745 /nfs/dbraw/zinc/79/57/45/388795745.db2.gz DNBMKNJCKFCVHQ-UHFFFAOYSA-N 0 3 243.351 0.398 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1ncccn1 ZINC000564231224 388805852 /nfs/dbraw/zinc/80/58/52/388805852.db2.gz XLNGHBROTQXAPK-VIFPVBQESA-N 0 3 208.265 0.076 20 0 BCADHN CCS(=O)(=O)NCCN1CCCC1(C)C ZINC000068825405 388807553 /nfs/dbraw/zinc/80/75/53/388807553.db2.gz UEDABRYVISERMN-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN Cc1cc(CNC[C@H](O)C(C)C)n(C)n1 ZINC000229985053 388808511 /nfs/dbraw/zinc/80/85/11/388808511.db2.gz YMSJQSKHUXYGSQ-NSHDSACASA-N 0 3 211.309 0.835 20 0 BCADHN Cc1noc(C)c1C(=O)N1CCCNCC1 ZINC000020248656 388759883 /nfs/dbraw/zinc/75/98/83/388759883.db2.gz YVWSPQVXKGDGQG-UHFFFAOYSA-N 0 3 223.276 0.727 20 0 BCADHN CO[C@@H]1CN(CCN2CCCC2=O)CC[C@@H]1C ZINC000252013808 388760321 /nfs/dbraw/zinc/76/03/21/388760321.db2.gz XYISIVSIWIEIOJ-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1OCC[C@]1(O)CNCc1ccco1 ZINC000227979374 388762661 /nfs/dbraw/zinc/76/26/61/388762661.db2.gz JWMLWEPFTIWMIU-ONGXEEELSA-N 0 3 211.261 0.909 20 0 BCADHN C/C=C/C=C\C(=O)NC[C@H]1CNCCO1 ZINC000227972676 388763103 /nfs/dbraw/zinc/76/31/03/388763103.db2.gz FWBOABOPFOOODZ-RXMSJDEBSA-N 0 3 210.277 0.223 20 0 BCADHN CCOCC(=O)N(C)C1CCN(C)CC1 ZINC000068192650 388766443 /nfs/dbraw/zinc/76/64/43/388766443.db2.gz ZMJKVIRRUBWYGY-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN CC(C)(O)CN1CCC(N2CCNC2=O)CC1 ZINC000303396751 388812733 /nfs/dbraw/zinc/81/27/33/388812733.db2.gz IFIMUOZHEPWBNF-UHFFFAOYSA-N 0 3 241.335 0.247 20 0 BCADHN C[C@@H](O)CCN(C)[C@@H]1CCCN(C)C1=O ZINC000539808572 388775895 /nfs/dbraw/zinc/77/58/95/388775895.db2.gz CZXHORWCKSGOOY-NXEZZACHSA-N 0 3 214.309 0.310 20 0 BCADHN CO[C@H]1CCN([C@H]2CCCN(C)C2=O)C1 ZINC000539808941 388778083 /nfs/dbraw/zinc/77/80/83/388778083.db2.gz YCGSIDOHNKPNJV-UWVGGRQHSA-N 0 3 212.293 0.328 20 0 BCADHN CN(C[C@H]1CCCOC1)[C@@H]1CCCN(C)C1=O ZINC000539811806 388780329 /nfs/dbraw/zinc/78/03/29/388780329.db2.gz OOWHFKVSRCCORB-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN O=C(CNC1CC1)NCCOCC1CC1 ZINC000229084838 388780453 /nfs/dbraw/zinc/78/04/53/388780453.db2.gz SRNUKPPAPYEQST-UHFFFAOYSA-N 0 3 212.293 0.281 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC000156046996 388787309 /nfs/dbraw/zinc/78/73/09/388787309.db2.gz KMFXDMIWMIUQDU-NSHDSACASA-N 0 3 236.319 0.505 20 0 BCADHN CC1CCN(CCCS(N)(=O)=O)CC1 ZINC000068455296 388787669 /nfs/dbraw/zinc/78/76/69/388787669.db2.gz NGWDKXYPZJEKSM-UHFFFAOYSA-N 0 3 220.338 0.397 20 0 BCADHN O=C1C[C@H]([C@@H]2CCCCN2Cc2cc[nH]n2)CN1 ZINC000539923931 388789154 /nfs/dbraw/zinc/78/91/54/388789154.db2.gz MTRYYEUECVPBST-JQWIXIFHSA-N 0 3 248.330 0.900 20 0 BCADHN C[C@@H]1CCN([C@H]2CC(=O)NC2=O)CC1(C)C ZINC000572539197 388789745 /nfs/dbraw/zinc/78/97/45/388789745.db2.gz YTCZDMJWZAZIJV-BDAKNGLRSA-N 0 3 224.304 0.770 20 0 BCADHN NC(=O)[C@@]1(NCCC2CCOCC2)CCOC1 ZINC000572539022 388790001 /nfs/dbraw/zinc/79/00/01/388790001.db2.gz RMSDGZMOIKAVFS-GFCCVEGCSA-N 0 3 242.319 0.037 20 0 BCADHN COC[C@@H](O)CNCc1c(C)cc(C)[nH]c1=O ZINC000553828857 388791322 /nfs/dbraw/zinc/79/13/22/388791322.db2.gz NLZLGIXLPWTHIE-JTQLQIEISA-N 0 3 240.303 0.501 20 0 BCADHN CC(C)(CNCc1ccncc1)OCCO ZINC000288543788 388791408 /nfs/dbraw/zinc/79/14/08/388791408.db2.gz WWIVYNVOECRXDV-UHFFFAOYSA-N 0 3 224.304 0.959 20 0 BCADHN CC[C@H](C(N)=O)N1CCC([C@@H](C)O)CC1 ZINC000225780746 388843959 /nfs/dbraw/zinc/84/39/59/388843959.db2.gz YYVCHQZZPLQNCU-PSASIEDQSA-N 0 3 214.309 0.343 20 0 BCADHN C[C@H](CNC(=O)C(C)(C)O)N(C)C1CC1 ZINC000230106230 388816038 /nfs/dbraw/zinc/81/60/38/388816038.db2.gz INKUKUJTOKUZAI-MRVPVSSYSA-N 0 3 214.309 0.356 20 0 BCADHN CC[C@@H](C)CN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000374934416 388818689 /nfs/dbraw/zinc/81/86/89/388818689.db2.gz UQZBYNGMCIOLQI-NXEZZACHSA-N 0 3 234.365 0.785 20 0 BCADHN CO[C@H]1CN(C(=O)C2(N)CC2)CC[C@@H]1C ZINC000230244669 388822618 /nfs/dbraw/zinc/82/26/18/388822618.db2.gz SFGCBBHQMOKADY-IUCAKERBSA-N 0 3 212.293 0.361 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CCN(C)C1)c1ncon1 ZINC000540890834 388822999 /nfs/dbraw/zinc/82/29/99/388822999.db2.gz ATZCLUWFVXUFHY-JGVFFNPUSA-N 0 3 224.264 0.199 20 0 BCADHN COC(CN1CCC[C@](C)(O)CC1)OC ZINC000230359636 388823333 /nfs/dbraw/zinc/82/33/33/388823333.db2.gz HXQKUYJNHHOZGC-NSHDSACASA-N 0 3 217.309 0.842 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC([C@H](C)O)CC1 ZINC000225780761 388844483 /nfs/dbraw/zinc/84/44/83/388844483.db2.gz YYVCHQZZPLQNCU-WPRPVWTQSA-N 0 3 214.309 0.343 20 0 BCADHN CN(C[C@H]1CCC[C@H]1O)[C@H]1CCCN(C)C1=O ZINC000540911224 388826073 /nfs/dbraw/zinc/82/60/73/388826073.db2.gz KIXRWLPARCOMGV-GRYCIOLGSA-N 0 3 240.347 0.700 20 0 BCADHN COCC1(C(=O)NCCN2CC[C@@H](C)C2)CC1 ZINC000540908577 388826876 /nfs/dbraw/zinc/82/68/76/388826876.db2.gz PWHIUJSMRYPJRW-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN C[C@@H](CNC(=O)N1CCOCC1)N(C)C1CC1 ZINC000069223877 388828498 /nfs/dbraw/zinc/82/84/98/388828498.db2.gz KLYOHJMEMAZAGN-JTQLQIEISA-N 0 3 241.335 0.511 20 0 BCADHN Cc1cccc(CN[C@H](C)CC(N)=O)n1 ZINC000129290755 388830377 /nfs/dbraw/zinc/83/03/77/388830377.db2.gz FSSRXGIUDCGRGM-SECBINFHSA-N 0 3 207.277 0.744 20 0 BCADHN OC[C@@]1(F)CCN(CC2(O)CCCC2)C1 ZINC000334411572 135395981 /nfs/dbraw/zinc/39/59/81/135395981.db2.gz UNRYTHUYTOVUFO-SNVBAGLBSA-N 0 3 217.284 0.698 20 0 BCADHN COC[C@@H](O)CN[C@@H](CO)c1ccccc1C ZINC000541054145 388837604 /nfs/dbraw/zinc/83/76/04/388837604.db2.gz LUZQWIXEPKFPSS-AAEUAGOBSA-N 0 3 239.315 0.625 20 0 BCADHN CCO[C@@H]1C[C@@H]1NC(=O)NC[C@H]1CCCN1C ZINC000555657232 388858698 /nfs/dbraw/zinc/85/86/98/388858698.db2.gz PSKHJBKEBLSWRL-OUAUKWLOSA-N 0 3 241.335 0.557 20 0 BCADHN CC(C)C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000649135326 388860338 /nfs/dbraw/zinc/86/03/38/388860338.db2.gz SSYYRAKSEOPHPS-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN Cn1ccnc1CN1CCN(C)C(C)(C)C1 ZINC000556082465 388866059 /nfs/dbraw/zinc/86/60/59/388866059.db2.gz JNBQQFKUACIFKJ-UHFFFAOYSA-N 0 3 222.336 0.946 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@@H](COC)C1 ZINC000129815522 388871850 /nfs/dbraw/zinc/87/18/50/388871850.db2.gz BZGTUPCOUUZEGY-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN Cc1cccc(S(=O)(=O)[N-]C[C@@H](C)[NH3+])c1F ZINC000193318668 388847687 /nfs/dbraw/zinc/84/76/87/388847687.db2.gz IMFNTCLAZOJGMJ-MRVPVSSYSA-N 0 3 246.307 0.760 20 0 BCADHN CN(C(=O)Cn1ccnc1)[C@@H]1CCN(C2CC2)C1 ZINC000564643236 388882060 /nfs/dbraw/zinc/88/20/60/388882060.db2.gz MGEUPIPOEFDSIU-GFCCVEGCSA-N 0 3 248.330 0.578 20 0 BCADHN N[C@H]1C[C@H]2CN(CCCCCF)CCN2C1=O ZINC000564668462 388883186 /nfs/dbraw/zinc/88/31/86/388883186.db2.gz SZEVIXFVYSGFTO-QWRGUYRKSA-N 0 3 243.326 0.370 20 0 BCADHN N[C@@H]1C[C@H]2CN(CCCCCF)CCN2C1=O ZINC000564668463 388883346 /nfs/dbraw/zinc/88/33/46/388883346.db2.gz SZEVIXFVYSGFTO-WDEREUQCSA-N 0 3 243.326 0.370 20 0 BCADHN O=C(CNC1CC1)Nc1nnc2n1CCCC2 ZINC000564655088 388884049 /nfs/dbraw/zinc/88/40/49/388884049.db2.gz JKNPUOUSJAUNKP-UHFFFAOYSA-N 0 3 235.291 0.305 20 0 BCADHN CC[C@H](OC)C(=O)NCCN1CC[C@H](C)C1 ZINC000564699799 388884604 /nfs/dbraw/zinc/88/46/04/388884604.db2.gz HWPQFSXHVVMNHT-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN O=C(COC1CNC1)N[C@@H]1CCC[C@@H](F)C1 ZINC000564803329 388890211 /nfs/dbraw/zinc/89/02/11/388890211.db2.gz KMLIJCRFRSKQIB-RKDXNWHRSA-N 0 3 230.283 0.372 20 0 BCADHN CC[C@@H](N)C(=O)N(C)CCCn1ccnc1C ZINC000152904052 388892047 /nfs/dbraw/zinc/89/20/47/388892047.db2.gz QYKUEFABNLNTPD-LLVKDONJSA-N 0 3 238.335 0.777 20 0 BCADHN NC(=O)CCNCc1ccnc(N2CCCC2)c1 ZINC000564846432 388893847 /nfs/dbraw/zinc/89/38/47/388893847.db2.gz NEZHJGRKIDIARN-UHFFFAOYSA-N 0 3 248.330 0.647 20 0 BCADHN Cc1ccc(CNC(=O)NCCN(C)C)nc1 ZINC000564895202 388897027 /nfs/dbraw/zinc/89/70/27/388897027.db2.gz BGIAKKKXHVHZPI-UHFFFAOYSA-N 0 3 236.319 0.751 20 0 BCADHN CC(C)OC(=O)CCCNC(=O)[C@@H](C)N ZINC000564940883 388900080 /nfs/dbraw/zinc/90/00/80/388900080.db2.gz SIQSEADPYRNPBG-MRVPVSSYSA-N 0 3 216.281 0.182 20 0 BCADHN CC[C@@H](N)C(=O)NCC(C)(C)C(=O)OC ZINC000129897345 388874681 /nfs/dbraw/zinc/87/46/81/388874681.db2.gz WQCMMABWJXUGKU-SSDOTTSWSA-N 0 3 216.281 0.039 20 0 BCADHN CCN1CC[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC000565024774 388908603 /nfs/dbraw/zinc/90/86/03/388908603.db2.gz LWKQBVJZOLFQRV-NSHDSACASA-N 0 3 236.319 0.173 20 0 BCADHN CCN1CC[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC000565024772 388908708 /nfs/dbraw/zinc/90/87/08/388908708.db2.gz LWKQBVJZOLFQRV-LLVKDONJSA-N 0 3 236.319 0.173 20 0 BCADHN OCCOCCN1CC[C@H](c2ccncc2)C1 ZINC000565311598 388936190 /nfs/dbraw/zinc/93/61/90/388936190.db2.gz DTTDHRMTBBGYFX-ZDUSSCGKSA-N 0 3 236.315 0.880 20 0 BCADHN C[C@@]1(NC(=O)CO)CCN(Cc2ccccc2)C1 ZINC000565145257 388916908 /nfs/dbraw/zinc/91/69/08/388916908.db2.gz HLFWOGWLMAFRMV-CQSZACIVSA-N 0 3 248.326 0.760 20 0 BCADHN Cn1cncc1CCCN1CCn2nncc2C1 ZINC000565171433 388921468 /nfs/dbraw/zinc/92/14/68/388921468.db2.gz KTFPXOYIPONIMR-UHFFFAOYSA-N 0 3 246.318 0.460 20 0 BCADHN CN1CCC[C@H]1CNC(=O)CN1CC(C)(C)C1 ZINC000565185659 388923310 /nfs/dbraw/zinc/92/33/10/388923310.db2.gz NKXZOUIMVOEZGM-NSHDSACASA-N 0 3 239.363 0.539 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCOCC23CC3)C1 ZINC000565204154 388925471 /nfs/dbraw/zinc/92/54/71/388925471.db2.gz KPZDOHNEYDYFCC-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN CCOC(=O)C(C)(C)NC(=O)[C@H](C)NC ZINC000565217727 388926654 /nfs/dbraw/zinc/92/66/54/388926654.db2.gz SSDPLJCTKKPDEA-ZETCQYMHSA-N 0 3 216.281 0.052 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccc(CO)c(F)c1 ZINC000565213126 388926810 /nfs/dbraw/zinc/92/68/10/388926810.db2.gz CPEWINWEXBPBGI-QMMMGPOBSA-N 0 3 240.278 0.542 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc(N(C)C)cn1 ZINC000565214905 388926976 /nfs/dbraw/zinc/92/69/76/388926976.db2.gz LJDBSSSZAYOKNG-QMMMGPOBSA-N 0 3 222.292 0.694 20 0 BCADHN Cn1cnc(N2CC[C@H](N3CC=CC3)C2)cc1=O ZINC000565222652 388928065 /nfs/dbraw/zinc/92/80/65/388928065.db2.gz SMLSGPHRZOPEBB-NSHDSACASA-N 0 3 246.314 0.231 20 0 BCADHN CCN1CCCN(c2cc(=O)n(C)cn2)CC1 ZINC000565223749 388928266 /nfs/dbraw/zinc/92/82/66/388928266.db2.gz XFBFLQQTMHHCQU-UHFFFAOYSA-N 0 3 236.319 0.312 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cn(C)cn1 ZINC000262394780 388933224 /nfs/dbraw/zinc/93/32/24/388933224.db2.gz OTGGEKZULOESBM-DTWKUNHWSA-N 0 3 222.292 0.243 20 0 BCADHN CN(C)C(=O)CCCN(C)Cc1cnn(C)c1 ZINC000565607786 388958125 /nfs/dbraw/zinc/95/81/25/388958125.db2.gz XVPCCCCVTSIFTQ-UHFFFAOYSA-N 0 3 238.335 0.720 20 0 BCADHN CC(=O)NCCCN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000565724293 388966027 /nfs/dbraw/zinc/96/60/27/388966027.db2.gz MXNCIMKQWHXXCX-LLVKDONJSA-N 0 3 241.335 0.065 20 0 BCADHN CC[C@]1(C)C[C@H]1C(=O)NC[C@](C)(O)CN(C)C ZINC000153103971 388939243 /nfs/dbraw/zinc/93/92/43/388939243.db2.gz FBUVMBBAWNPBAK-UHTWSYAYSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C2CC2)C2COC2)C1 ZINC000565373080 388940953 /nfs/dbraw/zinc/94/09/53/388940953.db2.gz OCKHUOLSIKRSLO-JTQLQIEISA-N 0 3 238.331 0.718 20 0 BCADHN Cn1nccc1[C@@H](CO)NCC1CCC1 ZINC000565419144 388943694 /nfs/dbraw/zinc/94/36/94/388943694.db2.gz JMEDDYVBCYQKRP-SNVBAGLBSA-N 0 3 209.293 0.843 20 0 BCADHN C[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@H]1CO ZINC000565457468 388945819 /nfs/dbraw/zinc/94/58/19/388945819.db2.gz BWLWOMAYDOORFM-VWYCJHECSA-N 0 3 226.320 0.167 20 0 BCADHN COCC(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000070559344 132231330 /nfs/dbraw/zinc/23/13/30/132231330.db2.gz XURAYWQKDJQSCM-JTQLQIEISA-N 0 3 220.272 0.549 20 0 BCADHN NC(=O)[C@]1(NC[C@@H]2Cc3ccccc32)CCOC1 ZINC000565488272 388949056 /nfs/dbraw/zinc/94/90/56/388949056.db2.gz CTUIGSHJUANNGT-FZMZJTMJSA-N 0 3 246.310 0.560 20 0 BCADHN OC[C@H]1CCN(CCCCCF)C[C@H]1O ZINC000565502525 388950079 /nfs/dbraw/zinc/95/00/79/388950079.db2.gz DGLZUODFZBHSLN-GHMZBOCLSA-N 0 3 219.300 0.801 20 0 BCADHN OC[C@H]1CCN(CCCCCF)C[C@@H]1O ZINC000565502526 388950423 /nfs/dbraw/zinc/95/04/23/388950423.db2.gz DGLZUODFZBHSLN-MNOVXSKESA-N 0 3 219.300 0.801 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000565547936 388951998 /nfs/dbraw/zinc/95/19/98/388951998.db2.gz GKHRSCBXQSDMPT-ZKANADHPSA-N 0 3 240.328 0.970 20 0 BCADHN C[C@@H](N)C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000565543003 388952253 /nfs/dbraw/zinc/95/22/53/388952253.db2.gz GOVRUNHMOACFKL-PSASIEDQSA-N 0 3 247.298 0.576 20 0 BCADHN CN[C@H](C)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000565547918 388953139 /nfs/dbraw/zinc/95/31/39/388953139.db2.gz GKHRSCBXQSDMPT-BCTVWOGZSA-N 0 3 240.328 0.970 20 0 BCADHN CC[C@H](SC)C(=O)NC[C@](C)(O)CN(C)C ZINC000153231875 388953683 /nfs/dbraw/zinc/95/36/83/388953683.db2.gz GRJAWTZGHOBAAH-ONGXEEELSA-N 0 3 248.392 0.557 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)NCCN(C)C2CC2)CO1 ZINC000565888927 388976354 /nfs/dbraw/zinc/97/63/54/388976354.db2.gz DREIETKNTMVIOH-ZJUUUORDSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H](CNC[C@@H]1CCCN1C)S(C)(=O)=O ZINC000565945891 388980733 /nfs/dbraw/zinc/98/07/33/388980733.db2.gz BOTMWRCKHSTYED-UWVGGRQHSA-N 0 3 234.365 0.103 20 0 BCADHN C[C@H](CNC[C@@H]1CCCN1C)S(C)(=O)=O ZINC000565945893 388981239 /nfs/dbraw/zinc/98/12/39/388981239.db2.gz BOTMWRCKHSTYED-ZJUUUORDSA-N 0 3 234.365 0.103 20 0 BCADHN CNS(=O)(=O)CCCN1[C@H](C)C[C@H]1C ZINC000565985537 388981714 /nfs/dbraw/zinc/98/17/14/388981714.db2.gz UWXJHTJWZWFGAY-RKDXNWHRSA-N 0 3 220.338 0.408 20 0 BCADHN C[C@@H](N)C(=O)NCc1noc2ccccc21 ZINC000566020431 388984781 /nfs/dbraw/zinc/98/47/81/388984781.db2.gz POSAGDDBYOJWPA-SSDOTTSWSA-N 0 3 219.244 0.791 20 0 BCADHN NC(=O)CCNCc1ccnc(-n2cccn2)c1 ZINC000566106232 388987992 /nfs/dbraw/zinc/98/79/92/388987992.db2.gz KNGCASFAMZBRIF-UHFFFAOYSA-N 0 3 245.286 0.232 20 0 BCADHN C[C@](O)(CN[C@H]1[C@@H]2COC[C@@H]21)C(F)(F)F ZINC000566125449 388989569 /nfs/dbraw/zinc/98/95/69/388989569.db2.gz SICVOIGMVNKEGM-OSMVPFSASA-N 0 3 225.210 0.534 20 0 BCADHN Cn1ncc2c1CCC[C@H]2NCCn1cncn1 ZINC000268874669 389006360 /nfs/dbraw/zinc/00/63/60/389006360.db2.gz YRYBMWHDXDOEDI-LLVKDONJSA-N 0 3 246.318 0.679 20 0 BCADHN CC[C@H](N)C(=O)NCCCn1ccnc1C ZINC000269245511 389008422 /nfs/dbraw/zinc/00/84/22/389008422.db2.gz ULPONYDVAIQRFJ-JTQLQIEISA-N 0 3 224.308 0.435 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1[nH]cnc1C ZINC000269239217 389008645 /nfs/dbraw/zinc/00/86/45/389008645.db2.gz AOFJTNXSQRCTGZ-LLVKDONJSA-N 0 3 224.308 0.852 20 0 BCADHN CC[C@H]1CN(Cc2cnn(C)c2)C[C@@H]1O ZINC000270835094 389014640 /nfs/dbraw/zinc/01/46/40/389014640.db2.gz DDLDOAOVFHQQKT-QWRGUYRKSA-N 0 3 209.293 0.623 20 0 BCADHN C[N@H+]1CC=C(CNC(=O)c2cncc([O-])c2)CC1 ZINC000271780045 389026380 /nfs/dbraw/zinc/02/63/80/389026380.db2.gz DIBDEVGBQXDOGR-UHFFFAOYSA-N 0 3 247.298 0.779 20 0 BCADHN C[N@@H+]1CC=C(CNC(=O)c2cncc([O-])c2)CC1 ZINC000271780045 389026385 /nfs/dbraw/zinc/02/63/85/389026385.db2.gz DIBDEVGBQXDOGR-UHFFFAOYSA-N 0 3 247.298 0.779 20 0 BCADHN CSC[C@H](O)CN[C@H](C)c1cn[nH]c1 ZINC000275239847 389054379 /nfs/dbraw/zinc/05/43/79/389054379.db2.gz WYDCJUBOODJMNT-VXNVDRBHSA-N 0 3 215.322 0.784 20 0 BCADHN CN1CC=C(CNc2ccc(C(N)=O)cn2)CC1 ZINC000273695588 389042714 /nfs/dbraw/zinc/04/27/14/389042714.db2.gz BYPTZGCSGIHVEM-UHFFFAOYSA-N 0 3 246.314 0.854 20 0 BCADHN CCSCCN[C@H](CO)c1cnn(C)c1 ZINC000273781320 389044643 /nfs/dbraw/zinc/04/46/43/389044643.db2.gz SMWVUGJQVZOSGJ-SNVBAGLBSA-N 0 3 229.349 0.796 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)NCCN(C)CC ZINC000347948707 136020212 /nfs/dbraw/zinc/02/02/12/136020212.db2.gz UYSHMPGAJVWQBJ-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN CCC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000370793062 168217301 /nfs/dbraw/zinc/21/73/01/168217301.db2.gz GZTVWIHQZRPNHH-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN COC(=O)CC1(NC[C@@H]2CN(C)C(=O)O2)CC1 ZINC000496236874 533318369 /nfs/dbraw/zinc/31/83/69/533318369.db2.gz XRRQDPXHQFXDEE-MRVPVSSYSA-N 0 3 242.275 0.122 20 0 BCADHN COC(=O)CC1(NC(=O)/C=C/CN(C)C)CC1 ZINC000493638974 533308405 /nfs/dbraw/zinc/30/84/05/533308405.db2.gz BVDPSWCKISUDNP-SNAWJCMRSA-N 0 3 240.303 0.316 20 0 BCADHN COCCN(C)CCCNC(=O)CC(C)(C)O ZINC000471747567 533313612 /nfs/dbraw/zinc/31/36/12/533313612.db2.gz HSLYYJHFLJGUPL-UHFFFAOYSA-N 0 3 246.351 0.232 20 0 BCADHN COC(=O)CCCN1C[C@H](O)C[C@H](C)C1 ZINC000401632801 533383077 /nfs/dbraw/zinc/38/30/77/533383077.db2.gz ZLMSUXQFDCCOMX-VHSXEESVSA-N 0 3 215.293 0.642 20 0 BCADHN C[C@@H](O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000468622766 533574847 /nfs/dbraw/zinc/57/48/47/533574847.db2.gz SVNPEWUJIVLESO-GARJFASQSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H](O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000468964714 533575552 /nfs/dbraw/zinc/57/55/52/533575552.db2.gz NUTPNONZNVPRCE-GMTAPVOTSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@@H](O)C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000469019309 533577530 /nfs/dbraw/zinc/57/75/30/533577530.db2.gz QWHHRQFLFFSJPV-RTXFEEFZSA-N 0 3 248.326 0.581 20 0 BCADHN C[C@@H](O)C1CCN(C[C@H]2CN(C)C(=O)O2)CC1 ZINC000496369621 533582823 /nfs/dbraw/zinc/58/28/23/533582823.db2.gz XAGSSRHLTMDEEV-MWLCHTKSSA-N 0 3 242.319 0.530 20 0 BCADHN Cc1cc(CNC(=O)/C=C\CN(C)C)nc(C)n1 ZINC000492880130 533642310 /nfs/dbraw/zinc/64/23/10/533642310.db2.gz JDOWPMVAOWDJIJ-WAYWQWQTSA-N 0 3 248.330 0.827 20 0 BCADHN COc1ccc(CNCCC(=O)N(C)C)cn1 ZINC000062070640 533661038 /nfs/dbraw/zinc/66/10/38/533661038.db2.gz DYFNINMRNMOVKZ-UHFFFAOYSA-N 0 3 237.303 0.658 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCN(C)c2ncccc21 ZINC000269265416 132194081 /nfs/dbraw/zinc/19/40/81/132194081.db2.gz ORNWHFNHVUYJHS-SNVBAGLBSA-N 0 3 248.330 0.992 20 0 BCADHN COc1ccnc(N2CCNC(C)(C)C2)n1 ZINC000133193449 132237545 /nfs/dbraw/zinc/23/75/45/132237545.db2.gz XHRVWGLYYFGOOX-UHFFFAOYSA-N 0 3 222.292 0.673 20 0 BCADHN CN(C[C@H]1CCCCO1)C(=O)CNC1CC1 ZINC000042466139 322838385 /nfs/dbraw/zinc/83/83/85/322838385.db2.gz ADUSLOZEWPWSDO-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN CN(C)C[C@@H]1CN(CCO)c2ccccc2O1 ZINC000370496854 132285045 /nfs/dbraw/zinc/28/50/45/132285045.db2.gz WSZFDTHWWNWIHS-LLVKDONJSA-N 0 3 236.315 0.808 20 0 BCADHN O=C([C@H]1CCN1)N1CCOc2ccccc21 ZINC000335876550 132296093 /nfs/dbraw/zinc/29/60/93/132296093.db2.gz CTKWRVCJJBXLMK-SECBINFHSA-N 0 3 218.256 0.774 20 0 BCADHN CCc1ncnc(N2CCN[C@H](C)C2)c1F ZINC000234178097 132344649 /nfs/dbraw/zinc/34/46/49/132344649.db2.gz CDBQYZADBSWKHB-MRVPVSSYSA-N 0 3 224.283 0.976 20 0 BCADHN Cc1ccccc1N1CCN(C(=O)[C@H](C)N)CC1 ZINC000040857550 132348519 /nfs/dbraw/zinc/34/85/19/132348519.db2.gz XPLFFJBPCLPPDE-LBPRGKRZSA-N 0 3 247.342 0.991 20 0 BCADHN CO[C@]1(CNCc2cnn(C)c2)CCOC1 ZINC000156861403 133474318 /nfs/dbraw/zinc/47/43/18/133474318.db2.gz JZIZWJVOVKEJFN-NSHDSACASA-N 0 3 225.292 0.315 20 0 BCADHN C[C@@H](N)C(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000157731037 133491520 /nfs/dbraw/zinc/49/15/20/133491520.db2.gz UMIPYRIEQOGXMZ-VWYCJHECSA-N 0 3 228.336 0.781 20 0 BCADHN CCOCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000083118417 133517360 /nfs/dbraw/zinc/51/73/60/133517360.db2.gz NWNYWGSKNFXENY-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN CC(C)CCOCCN1CC[C@@H](NC(N)=O)C1 ZINC000342871135 133604020 /nfs/dbraw/zinc/60/40/20/133604020.db2.gz CNHQQFMRWDPRHB-LLVKDONJSA-N 0 3 243.351 0.792 20 0 BCADHN C[C@H](N[C@H]1CCCCNC1=O)[C@H]1CCCO1 ZINC000252448306 133649563 /nfs/dbraw/zinc/64/95/63/133649563.db2.gz VFFKWNCOVKIRPJ-GARJFASQSA-N 0 3 226.320 0.812 20 0 BCADHN CCC(CC)(CO)NCc1cnnn1C ZINC000129766669 133655234 /nfs/dbraw/zinc/65/52/34/133655234.db2.gz WZRZDVKVPYGYTG-UHFFFAOYSA-N 0 3 212.297 0.456 20 0 BCADHN C[C@@H](O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000345408774 133766690 /nfs/dbraw/zinc/76/66/90/133766690.db2.gz QWSLRVPTWVCORO-WDEREUQCSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1Cc1cncn1C ZINC000335946482 134020400 /nfs/dbraw/zinc/02/04/00/134020400.db2.gz SMOJESAACRWMLQ-WDEREUQCSA-N 0 3 222.336 0.945 20 0 BCADHN C[C@@H]1[C@H](C)N(C(=O)c2cnc[nH]2)CCN1C ZINC000335946722 134020473 /nfs/dbraw/zinc/02/04/73/134020473.db2.gz HRGGKEGDECHCDG-BDAKNGLRSA-N 0 3 222.292 0.574 20 0 BCADHN CN(CC(=O)NC(N)=O)C1CCC(F)(F)CC1 ZINC000335957703 134023479 /nfs/dbraw/zinc/02/34/79/134023479.db2.gz NILKVVASYVNJMU-UHFFFAOYSA-N 0 3 249.261 0.691 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](C)C1 ZINC000335960982 134026905 /nfs/dbraw/zinc/02/69/05/134026905.db2.gz FSNMGMOIXYKVOX-IUCAKERBSA-N 0 3 227.308 0.562 20 0 BCADHN CN(C)CC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000335969173 134029249 /nfs/dbraw/zinc/02/92/49/134029249.db2.gz PJCZFRSFPQLYNB-MNOVXSKESA-N 0 3 225.336 0.101 20 0 BCADHN CC[C@H]1CCCN1C(=O)C(C)S(C)(=O)=O ZINC000335981999 134038261 /nfs/dbraw/zinc/03/82/61/134038261.db2.gz YRJWUUBYBBURMC-IUCAKERBSA-N 0 3 233.333 0.821 20 0 BCADHN O=C1NCC[C@H]1N1CCC[C@@H](C2CC2)C1 ZINC000335993427 134041513 /nfs/dbraw/zinc/04/15/13/134041513.db2.gz DFTLNOUVRGSIMC-GHMZBOCLSA-N 0 3 208.305 0.997 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H]1CO[C@H](C)C1 ZINC000352043969 134045542 /nfs/dbraw/zinc/04/55/42/134045542.db2.gz CRJQLOYZXLFZLM-MNOVXSKESA-N 0 3 244.335 0.106 20 0 BCADHN O=S(=O)(N[C@@H]1CCN2CCCC[C@@H]12)C1CC1 ZINC000336034365 134059383 /nfs/dbraw/zinc/05/93/83/134059383.db2.gz KDHGRHZHTROWIY-MNOVXSKESA-N 0 3 244.360 0.695 20 0 BCADHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)C1CC1 ZINC000336035472 134059576 /nfs/dbraw/zinc/05/95/76/134059576.db2.gz HCAMDTNULVZOEP-VIFPVBQESA-N 0 3 232.349 0.362 20 0 BCADHN O=C(CN1CC[C@@]2(CCOC2)C1)N1CCC1 ZINC000336040773 134061927 /nfs/dbraw/zinc/06/19/27/134061927.db2.gz QLJFBOQVQNCORW-GFCCVEGCSA-N 0 3 224.304 0.331 20 0 BCADHN CC1(C)CN(C(=O)Cn2ccccc2=O)CCN1 ZINC000336067905 134071202 /nfs/dbraw/zinc/07/12/02/134071202.db2.gz YNHKLGQAKIZEOB-UHFFFAOYSA-N 0 3 249.314 0.059 20 0 BCADHN CSCCC(=O)NC[C@@](C)(O)CCN(C)C ZINC000352118197 134074668 /nfs/dbraw/zinc/07/46/68/134074668.db2.gz ABLIVWMUQFSXAB-NSHDSACASA-N 0 3 248.392 0.558 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000336090903 134078354 /nfs/dbraw/zinc/07/83/54/134078354.db2.gz HYQWHWKZGLHVOW-VHSXEESVSA-N 0 3 247.298 0.255 20 0 BCADHN O=C([C@H]1CCCN1C1CC1)N1CCC(O)CC1 ZINC000336103669 134084046 /nfs/dbraw/zinc/08/40/46/134084046.db2.gz QVASTEIQSUOXGX-GFCCVEGCSA-N 0 3 238.331 0.597 20 0 BCADHN CC(C(=O)Nc1nncn1C)C(F)(F)F ZINC000336119786 134090026 /nfs/dbraw/zinc/09/00/26/134090026.db2.gz YBPVQARKNUMFCY-SCSAIBSYSA-N 0 3 222.170 0.952 20 0 BCADHN CC[C@H]1CCN1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336123149 134091938 /nfs/dbraw/zinc/09/19/38/134091938.db2.gz OTEUSVZVCXFQHI-MNOVXSKESA-N 0 3 246.376 0.752 20 0 BCADHN CCN(CCN1CCCC1=O)C[C@H](C)O ZINC000352196144 134098819 /nfs/dbraw/zinc/09/88/19/134098819.db2.gz WVZVETHHUOJAML-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@](C)(O)C2CC2)C1 ZINC000336141889 134100800 /nfs/dbraw/zinc/10/08/00/134100800.db2.gz LECNDCUPRDDAHS-WCQYABFASA-N 0 3 240.347 0.700 20 0 BCADHN CN1CC[C@]2(CCN(C(=O)NCC(F)F)C2)C1 ZINC000336141344 134100819 /nfs/dbraw/zinc/10/08/19/134100819.db2.gz GXOLPBPNPDSYGG-NSHDSACASA-N 0 3 247.289 0.989 20 0 BCADHN CCN1CCCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC000336142223 134101189 /nfs/dbraw/zinc/10/11/89/134101189.db2.gz QZBMCOUGCOHFPY-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CCCNC(=O)[C@H](C)N(CC)C[C@H](C)O ZINC000352204881 134104886 /nfs/dbraw/zinc/10/48/86/134104886.db2.gz YZIHREBPRLMLME-UWVGGRQHSA-N 0 3 216.325 0.604 20 0 BCADHN O=C1NC[C@@H]2CN(CC3(O)CCCC3)CCN12 ZINC000336159213 134107175 /nfs/dbraw/zinc/10/71/75/134107175.db2.gz XIFGSZJQGKGAFV-SNVBAGLBSA-N 0 3 239.319 0.001 20 0 BCADHN C[C@H](N)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000353268374 134111023 /nfs/dbraw/zinc/11/10/23/134111023.db2.gz XTQWDWAAMXIFED-QMMMGPOBSA-N 0 3 222.292 0.463 20 0 BCADHN C[C@H](N)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000353268374 134111024 /nfs/dbraw/zinc/11/10/24/134111024.db2.gz XTQWDWAAMXIFED-QMMMGPOBSA-N 0 3 222.292 0.463 20 0 BCADHN CC(=O)N1CCN(CC[C@H]2CCOC2)[C@@H](C)C1 ZINC000336163910 134112470 /nfs/dbraw/zinc/11/24/70/134112470.db2.gz YZPYNPIUJGIFGB-AAEUAGOBSA-N 0 3 240.347 0.966 20 0 BCADHN COC[C@@H]1CCN([C@H](C)C(=O)NC2CC2)C1 ZINC000352233416 134113832 /nfs/dbraw/zinc/11/38/32/134113832.db2.gz BWLRBLKFJDSHCU-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN CCCCNC(=O)CN1CC[C@@H](COC)C1 ZINC000352234306 134115153 /nfs/dbraw/zinc/11/51/53/134115153.db2.gz JPVFHTQQQHADBC-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CC(C)[C@@H]1CCCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000336183059 134120188 /nfs/dbraw/zinc/12/01/88/134120188.db2.gz YIMJLRJYINICDM-NXEZZACHSA-N 0 3 241.335 0.938 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CCNC[C@](C)(F)C1 ZINC000336212469 134135102 /nfs/dbraw/zinc/13/51/02/134135102.db2.gz ZEPMOWGEPRAPLI-SKDRFNHKSA-N 0 3 245.342 0.520 20 0 BCADHN C[C@@H]1CCN(C)CCN1Cc1cnnn1C ZINC000353457499 134163768 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/nfs/dbraw/zinc/27/77/09/134277709.db2.gz AUTACRSTOSQWFN-VIFPVBQESA-N 0 3 203.282 0.641 20 0 BCADHN CCNS(=O)(=O)N1CC[C@H](N(CC)CC)C1 ZINC000173991094 134279912 /nfs/dbraw/zinc/27/99/12/134279912.db2.gz SEIIPRBMQUYERU-JTQLQIEISA-N 0 3 249.380 0.257 20 0 BCADHN C[C@H](CNC(=O)CC(=O)N(C)C)N(C)C1CC1 ZINC000174564425 134282860 /nfs/dbraw/zinc/28/28/60/134282860.db2.gz DAPHUGBEMVEFKQ-SECBINFHSA-N 0 3 241.335 0.064 20 0 BCADHN CN1[C@@H]2CC[C@H]1CCN(C(=O)[C@@H]1CCOC1)C2 ZINC000174688232 134283430 /nfs/dbraw/zinc/28/34/30/134283430.db2.gz FLGKFKNUJGBKPG-GRYCIOLGSA-N 0 3 238.331 0.718 20 0 BCADHN CCCCCN1CCN2C(=O)NC[C@H]2C1 ZINC000175877892 134288410 /nfs/dbraw/zinc/28/84/10/134288410.db2.gz JQCZTSKKBKJGEK-JTQLQIEISA-N 0 3 211.309 0.886 20 0 BCADHN CN(C)CCN(C)C(=O)NCC1CCOCC1 ZINC000176291867 134290577 /nfs/dbraw/zinc/29/05/77/134290577.db2.gz PNMHVASDBOYZJE-UHFFFAOYSA-N 0 3 243.351 0.616 20 0 BCADHN CC[C@H](C)CN(CC)CC(=O)NCC(=O)OC ZINC000177063437 134297050 /nfs/dbraw/zinc/29/70/50/134297050.db2.gz OOLDLQLEMRAJRD-JTQLQIEISA-N 0 3 244.335 0.644 20 0 BCADHN COC[C@@H](O)CN1CC[C@H](OCC(C)C)C1 ZINC000177515526 134298514 /nfs/dbraw/zinc/29/85/14/134298514.db2.gz AGXHXTUAPAVHIG-RYUDHWBXSA-N 0 3 231.336 0.741 20 0 BCADHN OCCO[C@H]1CCCN(CCCF)C1 ZINC000178460160 134307102 /nfs/dbraw/zinc/30/71/02/134307102.db2.gz NEWPATYHCMCWEK-JTQLQIEISA-N 0 3 205.273 0.819 20 0 BCADHN COCCNCCNC(=O)[C@H](C)C(C)C ZINC000179389428 134316801 /nfs/dbraw/zinc/31/68/01/134316801.db2.gz IVUBFTNUONNKJN-SNVBAGLBSA-N 0 3 216.325 0.631 20 0 BCADHN COC(=O)CCCN1CCC[C@H]1CC(=O)OC ZINC000179135473 134317774 /nfs/dbraw/zinc/31/77/74/134317774.db2.gz GLCFKNFBQJUUKY-JTQLQIEISA-N 0 3 243.303 0.967 20 0 BCADHN COC[C@H](O)CN1CCCO[C@@H](C)C1 ZINC000179599180 134322347 /nfs/dbraw/zinc/32/23/47/134322347.db2.gz GZHRKPQUAVVJNJ-VHSXEESVSA-N 0 3 203.282 0.105 20 0 BCADHN C[C@H]1CCN(CCc2cnn(C)c2)C[C@@H]1O ZINC000221439474 134325020 /nfs/dbraw/zinc/32/50/20/134325020.db2.gz HUPWOOWCFFPAQI-JQWIXIFHSA-N 0 3 223.320 0.665 20 0 BCADHN CC(C)N(CC(=O)N1CCNC(=O)C1)C(C)C ZINC000180456185 134327770 /nfs/dbraw/zinc/32/77/70/134327770.db2.gz XCGAPNKJGLESEK-UHFFFAOYSA-N 0 3 241.335 0.064 20 0 BCADHN COCCN(CCOC)C[C@@H](C)OC ZINC000182015404 134341396 /nfs/dbraw/zinc/34/13/96/134341396.db2.gz FIECDYLBRCVUHZ-SNVBAGLBSA-N 0 3 205.298 0.616 20 0 BCADHN COC[C@@H](NC[C@H](O)C(F)F)C1CC1 ZINC000224485030 134348037 /nfs/dbraw/zinc/34/80/37/134348037.db2.gz MRRCMPSDJDWTDH-SFYZADRCSA-N 0 3 209.236 0.627 20 0 BCADHN COC(=O)CCCC(=O)NC[C@@H]1CCCN1C ZINC000182743027 134348226 /nfs/dbraw/zinc/34/82/26/134348226.db2.gz MYEQFDAPRJBTPK-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN CO[C@H](C)CCC(=O)N1CCCN(C)CC1 ZINC000182962747 134349892 /nfs/dbraw/zinc/34/98/92/134349892.db2.gz ROWHUCAQZKHNHQ-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@H](O)CC(C)(C)C ZINC000225502697 134354064 /nfs/dbraw/zinc/35/40/64/134354064.db2.gz VZOUUNDVTHTYEY-NXEZZACHSA-N 0 3 230.352 0.883 20 0 BCADHN CNC(=O)[C@H](NCCSC)C(C)C ZINC000183661012 134355313 /nfs/dbraw/zinc/35/53/13/134355313.db2.gz QQEYHJDXNMIXTB-MRVPVSSYSA-N 0 3 204.339 0.710 20 0 BCADHN OC[C@@H]1CCCN1CCO[C@H]1CCCCO1 ZINC000085396988 134361148 /nfs/dbraw/zinc/36/11/48/134361148.db2.gz MTTIAWZLKLYOMC-RYUDHWBXSA-N 0 3 229.320 0.986 20 0 BCADHN CC1(C)CN([C@@H]2CCCC[C@H]2O)C[C@@H](CO)O1 ZINC000226254229 134361904 /nfs/dbraw/zinc/36/19/04/134361904.db2.gz CMCKSIMNZVZYCP-QJPTWQEYSA-N 0 3 243.347 0.762 20 0 BCADHN CC(=O)N1CCCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000226244518 134361959 /nfs/dbraw/zinc/36/19/59/134361959.db2.gz LTWAYSJAVJLTCP-CHWSQXEVSA-N 0 3 240.347 0.844 20 0 BCADHN Cn1cccc1CNC[C@H](O)C(F)F ZINC000226578732 134367239 /nfs/dbraw/zinc/36/72/39/134367239.db2.gz MWCOOIWVWMFLIV-QMMMGPOBSA-N 0 3 204.220 0.741 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000226696858 134368341 /nfs/dbraw/zinc/36/83/41/134368341.db2.gz PZUHJNRQMDCMSO-WPRPVWTQSA-N 0 3 224.308 0.960 20 0 BCADHN CCCC[C@H](N)C(=O)NCCn1cc(C)cn1 ZINC000226675489 134368513 /nfs/dbraw/zinc/36/85/13/134368513.db2.gz NCWILDKPVUAKFL-NSHDSACASA-N 0 3 238.335 0.825 20 0 BCADHN CC[C@@H]1CN(C[C@@](C)(O)C(=O)OC)CCS1 ZINC000226672891 134368621 /nfs/dbraw/zinc/36/86/21/134368621.db2.gz PHYQZHXYVNIBTC-MWLCHTKSSA-N 0 3 247.360 0.738 20 0 BCADHN CN(CCCCCO)CC(=O)NCC1CC1 ZINC000227117663 134373450 /nfs/dbraw/zinc/37/34/50/134373450.db2.gz KDBWNNUJFYQYJM-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN CCN(C)C(=O)CN[C@@H](CCO)C(C)C ZINC000227014262 134373576 /nfs/dbraw/zinc/37/35/76/134373576.db2.gz DAZKHEDCXWPBQI-JTQLQIEISA-N 0 3 216.325 0.461 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@@H](CCO)C(C)C ZINC000227010727 134373882 /nfs/dbraw/zinc/37/38/82/134373882.db2.gz VITIRPONVNQLNZ-QWRGUYRKSA-N 0 3 230.352 0.898 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@H](COC)C1 ZINC000227071652 134373984 /nfs/dbraw/zinc/37/39/84/134373984.db2.gz JXWRBQPZBXLNMS-HBNTYKKESA-N 0 3 228.336 0.855 20 0 BCADHN Cc1cc(CN2CC[C@H](C)[C@@H]2CO)n(C)n1 ZINC000227181172 134375384 /nfs/dbraw/zinc/37/53/84/134375384.db2.gz QEXHAULGBSAGSV-CABZTGNLSA-N 0 3 223.320 0.931 20 0 BCADHN CCC[C@@H](CC)NC(=O)[C@H](CN)OC ZINC000227380251 134379035 /nfs/dbraw/zinc/37/90/35/134379035.db2.gz RYSXYYLVZWBZEF-BDAKNGLRSA-N 0 3 202.298 0.655 20 0 BCADHN CO[C@@H](CN)C(=O)NCCCCSC ZINC000227405681 134380980 /nfs/dbraw/zinc/38/09/80/134380980.db2.gz CBXJUHLWPKXILR-QMMMGPOBSA-N 0 3 220.338 0.220 20 0 BCADHN CCOC[C@H](NC(=O)[C@H](CN)OC)C(C)C ZINC000227417984 134381115 /nfs/dbraw/zinc/38/11/15/134381115.db2.gz GEFWSFPEFRQQJE-UWVGGRQHSA-N 0 3 232.324 0.137 20 0 BCADHN C[C@H](NCC(N)=O)[C@H]1COc2ccccc21 ZINC000185587355 134382202 /nfs/dbraw/zinc/38/22/02/134382202.db2.gz URNATRYDVGKSDL-WCBMZHEXSA-N 0 3 220.272 0.626 20 0 BCADHN C[C@@H](O)CCCNCc1cnc(N(C)C)n1C ZINC000227568850 134383589 /nfs/dbraw/zinc/38/35/89/134383589.db2.gz UJPLMCIMOOMRJY-SNVBAGLBSA-N 0 3 240.351 0.737 20 0 BCADHN CCN(C)CCNC(=O)NCCOC(C)C ZINC000185679932 134388568 /nfs/dbraw/zinc/38/85/68/134388568.db2.gz XSDLSOCZFJKURF-UHFFFAOYSA-N 0 3 231.340 0.662 20 0 BCADHN CCCCCN1CC[C@@H](S(N)(=O)=O)C1 ZINC000408087426 134389992 /nfs/dbraw/zinc/38/99/92/134389992.db2.gz DOSUCXVTZDIWKX-SECBINFHSA-N 0 3 220.338 0.539 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C(C)(C)O)CN1C1CC1 ZINC000185820506 134391459 /nfs/dbraw/zinc/39/14/59/134391459.db2.gz LYDGNCARIPDZNN-DTWKUNHWSA-N 0 3 226.320 0.499 20 0 BCADHN COC(=O)CCN1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000227751595 134392492 /nfs/dbraw/zinc/39/24/92/134392492.db2.gz ZRFPBVCFKAVGER-RKDXNWHRSA-N 0 3 229.276 0.290 20 0 BCADHN CCC(CC)NC(=O)COC1CNC1 ZINC000062809959 134395082 /nfs/dbraw/zinc/39/50/82/134395082.db2.gz YUGQXLFJIKOUQQ-UHFFFAOYSA-N 0 3 200.282 0.280 20 0 BCADHN C[C@@]1(C(N)=O)CCCCN1CCCCO ZINC000185958932 134397028 /nfs/dbraw/zinc/39/70/28/134397028.db2.gz NUVMQBDQRNNRFU-NSHDSACASA-N 0 3 214.309 0.489 20 0 BCADHN CC1(C)C[C@H](N[C@@H]2CCNC2=O)C(C)(C)O1 ZINC000189237141 134541499 /nfs/dbraw/zinc/54/14/99/134541499.db2.gz MKJCWRWTWDFHDF-BDAKNGLRSA-N 0 3 226.320 0.811 20 0 BCADHN CCOC[C@@H](NC(=O)C1(N)CC1)C(C)C ZINC000233794455 134568746 /nfs/dbraw/zinc/56/87/46/134568746.db2.gz YMXWSKSNANVAQQ-SECBINFHSA-N 0 3 214.309 0.655 20 0 BCADHN CCC1CCN(C(=O)CNCCOC)CC1 ZINC000086158050 134591408 /nfs/dbraw/zinc/59/14/08/134591408.db2.gz RFHKUSWQRQUVIF-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@@H]1CN(C(=O)c2cncn2C)[C@H](C)CN1 ZINC000235321644 134592260 /nfs/dbraw/zinc/59/22/60/134592260.db2.gz CTYNVBGDHZMXCS-RKDXNWHRSA-N 0 3 222.292 0.243 20 0 BCADHN OC1CCN(CCO[C@H]2CCCCO2)CC1 ZINC000050103604 134649812 /nfs/dbraw/zinc/64/98/12/134649812.db2.gz SNSDFZJTXRVTDA-LBPRGKRZSA-N 0 3 229.320 0.986 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000155563567 134694598 /nfs/dbraw/zinc/69/45/98/134694598.db2.gz AUAAXKVKATUBDX-GMXVVIOVSA-N 0 3 240.347 0.999 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@H]1CCO[C@@H]1C ZINC000134258079 134706611 /nfs/dbraw/zinc/70/66/11/134706611.db2.gz BCLSPITYSQHMSR-UTLUCORTSA-N 0 3 214.309 0.653 20 0 BCADHN CCNC(=O)NC(=O)CN(CC)CC ZINC000060486335 134794589 /nfs/dbraw/zinc/79/45/89/134794589.db2.gz PPZGAGKPZZABFS-UHFFFAOYSA-N 0 3 201.270 0.174 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCC[C@H](O)C(C)C ZINC000236688095 134832887 /nfs/dbraw/zinc/83/28/87/134832887.db2.gz SUOBPTYPOUEWTO-QWRGUYRKSA-N 0 3 230.352 0.883 20 0 BCADHN COCCOCCNCc1cncn1C ZINC000082394588 134964200 /nfs/dbraw/zinc/96/42/00/134964200.db2.gz PRRZUKJRYBDINM-UHFFFAOYSA-N 0 3 213.281 0.173 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCNC2=O)[C@H]1C ZINC000248371450 135000152 /nfs/dbraw/zinc/00/01/52/135000152.db2.gz YQMFNKTXPASMPJ-IUCAKERBSA-N 0 3 225.292 0.269 20 0 BCADHN CO[C@H](C)CN1CCC[C@@H](NC(C)=O)C1 ZINC000248415111 135006636 /nfs/dbraw/zinc/00/66/36/135006636.db2.gz HQGFRKJXFASLMO-MWLCHTKSSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H](NC[C@H](O)CN(C)C)c1nccs1 ZINC000070733158 135011597 /nfs/dbraw/zinc/01/15/97/135011597.db2.gz YLXWKSALOKRPSH-IUCAKERBSA-N 0 3 229.349 0.716 20 0 BCADHN CCNC(=O)NC(=O)CN1C[C@@H](C)CC[C@@H]1C ZINC000076150565 135014575 /nfs/dbraw/zinc/01/45/75/135014575.db2.gz VYTFTAWSLREZDY-UWVGGRQHSA-N 0 3 241.335 0.953 20 0 BCADHN C[C@H](N[C@H]1CCCOC1)C(=O)N1CCCC1 ZINC000071013439 135017377 /nfs/dbraw/zinc/01/73/77/135017377.db2.gz FXEPIJLGBGVRJO-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@H](C)C[N@@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000248667828 135018371 /nfs/dbraw/zinc/01/83/71/135018371.db2.gz AFLYJQOXWMZYJH-CABZTGNLSA-N 0 3 239.319 0.707 20 0 BCADHN CC[C@H](C)C[N@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000248667828 135018372 /nfs/dbraw/zinc/01/83/72/135018372.db2.gz AFLYJQOXWMZYJH-CABZTGNLSA-N 0 3 239.319 0.707 20 0 BCADHN Cc1noc([C@H]2CCCN(C[C@H](C)O)C2)n1 ZINC000248648079 135018782 /nfs/dbraw/zinc/01/87/82/135018782.db2.gz JGNGMCKWJNVKHD-WPRPVWTQSA-N 0 3 225.292 0.938 20 0 BCADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CO ZINC000248736949 135020156 /nfs/dbraw/zinc/02/01/56/135020156.db2.gz DSPWTVDTZKVEQO-WCQYABFASA-N 0 3 248.326 0.615 20 0 BCADHN CSCC[C@@H](N)C(=O)NCC(F)F ZINC000163640712 135025684 /nfs/dbraw/zinc/02/56/84/135025684.db2.gz YPZLUPSFUDGATI-RXMQYKEDSA-N 0 3 212.265 0.448 20 0 BCADHN C[C@@H]1CCN(C[C@@H](O)C(F)(F)F)[C@H]1CO ZINC000248978027 135028631 /nfs/dbraw/zinc/02/86/31/135028631.db2.gz USQDKWMOENRGGT-GJMOJQLCSA-N 0 3 227.226 0.612 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@@H]1CC[C@H](C)O1 ZINC000249029402 135030621 /nfs/dbraw/zinc/03/06/21/135030621.db2.gz FBRZVWYJVLWWNQ-DCAQKATOSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@H](O)CN1CCN(C[C@H](C)O)C[C@H]1C ZINC000249214776 135036330 /nfs/dbraw/zinc/03/63/30/135036330.db2.gz DLLPYSNWHZOEOK-WOPDTQHZSA-N 0 3 230.352 0.144 20 0 BCADHN C[C@H](O)CN1CCCC[C@]1(C)C(N)=O ZINC000249514065 135040872 /nfs/dbraw/zinc/04/08/72/135040872.db2.gz ISTQBEBNZGCFFI-WCBMZHEXSA-N 0 3 200.282 0.097 20 0 BCADHN CN1CCN(C)[C@H](CN[C@H]2CCCOC2)C1 ZINC000250370829 135052970 /nfs/dbraw/zinc/05/29/70/135052970.db2.gz INZATGSPPIVVPQ-NWDGAFQWSA-N 0 3 227.352 0.001 20 0 BCADHN CNC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000251163707 135064737 /nfs/dbraw/zinc/06/47/37/135064737.db2.gz NKISBHQJXFUVLF-FXBDTBDDSA-N 0 3 212.293 0.136 20 0 BCADHN CNC(=O)CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000251169903 135064891 /nfs/dbraw/zinc/06/48/91/135064891.db2.gz OHWKBIJYVZJPLP-FBIMIBRVSA-N 0 3 226.320 0.526 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000251920346 135081865 /nfs/dbraw/zinc/08/18/65/135081865.db2.gz QCFBNUWHGXAAHC-UKKRHICBSA-N 0 3 226.320 0.750 20 0 BCADHN C[C@@H]1CCCN(CCCS(C)(=O)=O)[C@H]1CN ZINC000252157988 135085845 /nfs/dbraw/zinc/08/58/45/135085845.db2.gz NQOLFJSQIGIDGY-MNOVXSKESA-N 0 3 248.392 0.480 20 0 BCADHN Cc1c(CN[C@@H]2CCC(=O)NC2)cnn1C ZINC000086552096 135089540 /nfs/dbraw/zinc/08/95/40/135089540.db2.gz CCLMNXKZXJEWKS-SNVBAGLBSA-N 0 3 222.292 0.097 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N[C@H](C)[C@H](C)CO ZINC000252943227 135095359 /nfs/dbraw/zinc/09/53/59/135095359.db2.gz KKYRMKPEFBSQRO-MXWKQRLJSA-N 0 3 230.352 0.850 20 0 BCADHN COC(=O)[C@H]1CCN(C[C@H]2CCCO2)C1 ZINC000252674651 135095845 /nfs/dbraw/zinc/09/58/45/135095845.db2.gz TWLVVYOKWKYSKJ-VHSXEESVSA-N 0 3 213.277 0.660 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1[C@H]1CCN(C)C1=O ZINC000252698190 135097859 /nfs/dbraw/zinc/09/78/59/135097859.db2.gz LOIVCWREWUADAH-DCAQKATOSA-N 0 3 226.320 0.452 20 0 BCADHN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)N)[nH]n1 ZINC000261599049 135110236 /nfs/dbraw/zinc/11/02/36/135110236.db2.gz ZSYWNXMIKLKAPL-POYBYMJQSA-N 0 3 210.281 0.113 20 0 BCADHN CCCC[C@@H](N)C(=O)NCC1(C)COC1 ZINC000087198063 135112594 /nfs/dbraw/zinc/11/25/94/135112594.db2.gz YERRRAIYUZHCEO-SECBINFHSA-N 0 3 214.309 0.657 20 0 BCADHN CNC(=O)CN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253091219 135120958 /nfs/dbraw/zinc/12/09/58/135120958.db2.gz JHVIVLGPBKNHRY-QJPTWQEYSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@@H]1C[C@H](C)CCN1 ZINC000253161850 135123144 /nfs/dbraw/zinc/12/31/44/135123144.db2.gz VFKZPQUKUMFQQQ-VWYCJHECSA-N 0 3 228.336 0.604 20 0 BCADHN CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000253207313 135124740 /nfs/dbraw/zinc/12/47/40/135124740.db2.gz HEHFGGAZJWEHHR-SOCHQFKDSA-N 0 3 212.293 0.265 20 0 BCADHN O=C1CCN(C[C@@H]2CCCCO2)CCN1 ZINC000078432720 135125051 /nfs/dbraw/zinc/12/50/51/135125051.db2.gz IGRWNGZSFZLNNR-JTQLQIEISA-N 0 3 212.293 0.377 20 0 BCADHN C[C@H](CCCO)NC(=O)[C@@H]1CCCCN1 ZINC000087360112 135125220 /nfs/dbraw/zinc/12/52/20/135125220.db2.gz FTINTNFCOSXYHO-ZJUUUORDSA-N 0 3 214.309 0.406 20 0 BCADHN C[C@H](CCCO)NC(=O)[C@@H](N)C(C)(C)C ZINC000087360088 135125276 /nfs/dbraw/zinc/12/52/76/135125276.db2.gz MXHLCTJTTWEWQB-RKDXNWHRSA-N 0 3 216.325 0.637 20 0 BCADHN C[C@@H]1NCCN(C(=O)[C@H]2CCCO2)[C@H]1C ZINC000253486537 135127097 /nfs/dbraw/zinc/12/70/97/135127097.db2.gz XWCYLNRQZIGGHM-LPEHRKFASA-N 0 3 212.293 0.374 20 0 BCADHN Cn1cnc(CCNCc2ccco2)n1 ZINC000087416322 135130476 /nfs/dbraw/zinc/13/04/76/135130476.db2.gz ROVRLGUXJICCPZ-UHFFFAOYSA-N 0 3 206.249 0.740 20 0 BCADHN C[C@H](CNC(=O)CNCC(F)(F)F)N(C)C ZINC000078594662 135130803 /nfs/dbraw/zinc/13/08/03/135130803.db2.gz KVXGSDYQUUTGRE-SSDOTTSWSA-N 0 3 241.257 0.205 20 0 BCADHN Cn1c2ccc(CNCCO)cc2oc1=O ZINC000258934562 135136174 /nfs/dbraw/zinc/13/61/74/135136174.db2.gz HGRYFTACIUYVSV-UHFFFAOYSA-N 0 3 222.244 0.213 20 0 BCADHN COC[C@H](C)CC(=O)N1CCCNCC1 ZINC000087420242 135137094 /nfs/dbraw/zinc/13/70/94/135137094.db2.gz DTSCYHXJAAYQNV-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000257755367 135141944 /nfs/dbraw/zinc/14/19/44/135141944.db2.gz NPUSPJNIHUWHPP-QWRGUYRKSA-N 0 3 226.320 0.877 20 0 BCADHN C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000257755367 135141945 /nfs/dbraw/zinc/14/19/45/135141945.db2.gz NPUSPJNIHUWHPP-QWRGUYRKSA-N 0 3 226.320 0.877 20 0 BCADHN C[C@@H](C(=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000257755367 135141946 /nfs/dbraw/zinc/14/19/46/135141946.db2.gz NPUSPJNIHUWHPP-QWRGUYRKSA-N 0 3 226.320 0.877 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@H](COC)C1CC1 ZINC000087478432 135143319 /nfs/dbraw/zinc/14/33/19/135143319.db2.gz MZSSEECYLGPDBJ-PSASIEDQSA-N 0 3 214.309 0.526 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCCCC1 ZINC000259949216 135146107 /nfs/dbraw/zinc/14/61/07/135146107.db2.gz DGNRCNQZZDJCLY-LLVKDONJSA-N 0 3 215.293 0.786 20 0 BCADHN NCC(=O)N[C@H]1CSc2ccccc21 ZINC000261529152 135155348 /nfs/dbraw/zinc/15/53/48/135155348.db2.gz AIPUPBQWPXQDSQ-QMMMGPOBSA-N 0 3 208.286 0.908 20 0 BCADHN C[C@@H]1[C@H](CO)CCN1Cc1cnc(N)s1 ZINC000261529640 135155711 /nfs/dbraw/zinc/15/57/11/135155711.db2.gz BFBYLBATGOUSGD-SFYZADRCSA-N 0 3 227.333 0.928 20 0 BCADHN CSCC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000261530438 135157829 /nfs/dbraw/zinc/15/78/29/135157829.db2.gz ZVHKSSMSGKFYHE-SFYZADRCSA-N 0 3 202.323 0.558 20 0 BCADHN CSCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000261530437 135158546 /nfs/dbraw/zinc/15/85/46/135158546.db2.gz ZVHKSSMSGKFYHE-JGVFFNPUSA-N 0 3 202.323 0.558 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCCS1 ZINC000087668420 135163025 /nfs/dbraw/zinc/16/30/25/135163025.db2.gz WOLVKDLAYJPZJQ-IUCAKERBSA-N 0 3 216.350 0.982 20 0 BCADHN O=C(C[C@H]1CNCCO1)NC[C@@H]1CCCS1 ZINC000087668620 135163311 /nfs/dbraw/zinc/16/33/11/135163311.db2.gz OJYDMENXGQGGMU-UWVGGRQHSA-N 0 3 244.360 0.377 20 0 BCADHN Cc1cnccc1NC(=O)[C@H]1C[C@@H](O)CN1 ZINC000261533113 135163997 /nfs/dbraw/zinc/16/39/97/135163997.db2.gz VQYXBUFGPXHUEZ-PSASIEDQSA-N 0 3 221.260 0.051 20 0 BCADHN Cc1ccc(CNC[C@H]2COCCO2)nc1 ZINC000087782256 135169619 /nfs/dbraw/zinc/16/96/19/135169619.db2.gz CNRKAQQEVOYYMZ-LBPRGKRZSA-N 0 3 222.288 0.895 20 0 BCADHN NCC(=O)NCC1(CCO)CCCC1 ZINC000261535805 135170746 /nfs/dbraw/zinc/17/07/46/135170746.db2.gz PGXSJJYQXXMZAE-UHFFFAOYSA-N 0 3 200.282 0.004 20 0 BCADHN C[C@@]1(CNC(=O)C2(N)CC2)CCCS1 ZINC000087796864 135171885 /nfs/dbraw/zinc/17/18/85/135171885.db2.gz FMICSEVMDDAODI-VIFPVBQESA-N 0 3 214.334 0.880 20 0 BCADHN COc1cccc(NC(=O)[C@H]2CCN2)c1 ZINC000261539359 135177967 /nfs/dbraw/zinc/17/79/67/135177967.db2.gz CFHAIFYMQBIHAH-SNVBAGLBSA-N 0 3 206.245 0.996 20 0 BCADHN C[C@@H]1CCN(C(=O)COC2CNC2)[C@@H]1C ZINC000261540201 135179172 /nfs/dbraw/zinc/17/91/72/135179172.db2.gz DUCNLMZHVIMZKM-RKDXNWHRSA-N 0 3 212.293 0.232 20 0 BCADHN Cc1ccc([O-])c(CN(C)[C@H](C)C[NH3+])n1 ZINC000261544551 135186025 /nfs/dbraw/zinc/18/60/25/135186025.db2.gz JAHTVSDEXZLGOL-SECBINFHSA-N 0 3 209.293 0.875 20 0 BCADHN CC[C@H](OC)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000261545268 135186934 /nfs/dbraw/zinc/18/69/34/135186934.db2.gz JSXISUWBSKYIBL-GUBZILKMSA-N 0 3 214.309 0.620 20 0 BCADHN CN(C(=O)COC1CNC1)C1CCCC1 ZINC000261550041 135189448 /nfs/dbraw/zinc/18/94/48/135189448.db2.gz PEELQURCTWKWMW-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN CCC[C@H]1C[C@H]1NC(=O)COC1CNC1 ZINC000261551404 135190642 /nfs/dbraw/zinc/19/06/42/135190642.db2.gz QMVJFDJAMXEEGS-WCBMZHEXSA-N 0 3 212.293 0.280 20 0 BCADHN CNCC(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC000261554029 135193862 /nfs/dbraw/zinc/19/38/62/135193862.db2.gz TWJXPDONLNHPCS-JTQLQIEISA-N 0 3 214.309 0.119 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238882 135194519 /nfs/dbraw/zinc/19/45/19/135194519.db2.gz GGWCSRVZTAMMKT-VWYCJHECSA-N 0 3 228.336 0.637 20 0 BCADHN C[C@H]1C[C@H](C)N(C(=O)COC2CNC2)C1 ZINC000261554464 135194773 /nfs/dbraw/zinc/19/47/73/135194773.db2.gz UFJCWULUXSJQRF-IUCAKERBSA-N 0 3 212.293 0.232 20 0 BCADHN CNCC(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000261555137 135195641 /nfs/dbraw/zinc/19/56/41/135195641.db2.gz UTGKBKHWWSYGJG-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN N[C@@H](CC1CCCCC1)C(=O)N1CCNCC1 ZINC000261555831 135196088 /nfs/dbraw/zinc/19/60/88/135196088.db2.gz QCJCRFHAGBWRDZ-LBPRGKRZSA-N 0 3 239.363 0.716 20 0 BCADHN CSC1(CNC(=O)[C@@H](C)N)CCOCC1 ZINC000261556549 135197218 /nfs/dbraw/zinc/19/72/18/135197218.db2.gz WBFXTTPFDRUJOC-MRVPVSSYSA-N 0 3 232.349 0.362 20 0 BCADHN CN(C)CC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000261557681 135197888 /nfs/dbraw/zinc/19/78/88/135197888.db2.gz CTPBKWNLYGQFQN-ZDUSSCGKSA-N 0 3 247.342 0.551 20 0 BCADHN CO[C@H](CN)C(=O)Nc1sc(C)nc1C ZINC000261558287 135198873 /nfs/dbraw/zinc/19/88/73/135198873.db2.gz YATUCWLZLYCWPT-SSDOTTSWSA-N 0 3 229.305 0.672 20 0 BCADHN COCC(=O)NC[C@H]1NCCc2ccccc21 ZINC000261567373 135209444 /nfs/dbraw/zinc/20/94/44/135209444.db2.gz ZRJXTPBQRROWNA-GFCCVEGCSA-N 0 3 234.299 0.636 20 0 BCADHN COCCNCC(=O)NCCC1CCOCC1 ZINC000261567090 135209851 /nfs/dbraw/zinc/20/98/51/135209851.db2.gz ZOTQETQQNZWUNB-UHFFFAOYSA-N 0 3 244.335 0.155 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)COCC(F)(F)F ZINC000261568449 135209982 /nfs/dbraw/zinc/20/99/82/135209982.db2.gz FPVCKMZKNRJNFS-WDSKDSINSA-N 0 3 228.214 0.417 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)C[C@@H](C)O ZINC000164007796 135211994 /nfs/dbraw/zinc/21/19/94/135211994.db2.gz DFCWQLPURAUPDQ-LPEHRKFASA-N 0 3 237.365 0.559 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000261572384 135213604 /nfs/dbraw/zinc/21/36/04/135213604.db2.gz IBQVBHJCRMRAIH-BZNPZCIMSA-N 0 3 212.293 0.263 20 0 BCADHN COC[C@H](O)CNCc1cccnc1C ZINC000164152743 135215057 /nfs/dbraw/zinc/21/50/57/135215057.db2.gz MDEJHSYSSWTVMW-LLVKDONJSA-N 0 3 210.277 0.487 20 0 BCADHN O[C@H]1CCCC[C@H]1N1CC(O)(C2CC2)C1 ZINC000084377197 135215363 /nfs/dbraw/zinc/21/53/63/135215363.db2.gz SHMRJZUPJCYQBX-MNOVXSKESA-N 0 3 211.305 0.747 20 0 BCADHN O[C@H]1CCCC[C@@H]1N1CC(O)(C2CC2)C1 ZINC000084377199 135215542 /nfs/dbraw/zinc/21/55/42/135215542.db2.gz SHMRJZUPJCYQBX-QWRGUYRKSA-N 0 3 211.305 0.747 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)c1nc(C)no1 ZINC000261576310 135217742 /nfs/dbraw/zinc/21/77/42/135217742.db2.gz KFZPGGWDZMSLDN-VDTYLAMSSA-N 0 3 212.253 0.293 20 0 BCADHN CO[C@@H]1CCC[C@H]1CNC(=O)C1(N)CC1 ZINC000261576648 135218164 /nfs/dbraw/zinc/21/81/64/135218164.db2.gz KMNARWMNSXQUIR-DTWKUNHWSA-N 0 3 212.293 0.409 20 0 BCADHN Cc1ocnc1CNC(=O)[C@@H](N)C(C)C ZINC000261582066 135222905 /nfs/dbraw/zinc/22/29/05/135222905.db2.gz OBJSNIHZNXHOOE-VIFPVBQESA-N 0 3 211.265 0.583 20 0 BCADHN CCC[C@H]1CN(C(=O)C2(N)CC2)CCO1 ZINC000261584852 135225962 /nfs/dbraw/zinc/22/59/62/135225962.db2.gz QBOZYUVJSBFVRD-VIFPVBQESA-N 0 3 212.293 0.505 20 0 BCADHN CO[C@@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000261586588 135227631 /nfs/dbraw/zinc/22/76/31/135227631.db2.gz RGKAWNHOAHDCAP-PHDIDXHHSA-N 0 3 226.198 0.123 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC000261587006 135228331 /nfs/dbraw/zinc/22/83/31/135228331.db2.gz RMKYXDSXZHFOTF-KXUCPTDWSA-N 0 3 246.376 0.751 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000261587007 135228495 /nfs/dbraw/zinc/22/84/95/135228495.db2.gz RMKYXDSXZHFOTF-LPEHRKFASA-N 0 3 246.376 0.751 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000261589343 135230084 /nfs/dbraw/zinc/23/00/84/135230084.db2.gz TVQMYAUEMCTTLU-PWSUYJOCSA-N 0 3 226.320 0.609 20 0 BCADHN CO[C@@H](CN)C(=O)N1C[C@H](C)CC1(C)C ZINC000261589696 135230143 /nfs/dbraw/zinc/23/01/43/135230143.db2.gz UCRBNAUAZXUXNQ-BDAKNGLRSA-N 0 3 214.309 0.607 20 0 BCADHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccco1 ZINC000261547074 135239719 /nfs/dbraw/zinc/23/97/19/135239719.db2.gz LSWZEIDLALFPFB-MRVPVSSYSA-N 0 3 232.305 0.556 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)CCOC1CNC1 ZINC000261547961 135240774 /nfs/dbraw/zinc/24/07/74/135240774.db2.gz MXCWGYKOOTXQFY-BDAKNGLRSA-N 0 3 212.293 0.137 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C ZINC000261639291 135242234 /nfs/dbraw/zinc/24/22/34/135242234.db2.gz AFBZOKWFBFHTNQ-PSASIEDQSA-N 0 3 238.335 0.971 20 0 BCADHN C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccco2)CC[NH2+]1 ZINC000261644565 135242402 /nfs/dbraw/zinc/24/24/02/135242402.db2.gz GUNBRJFBKKUUHC-DTWKUNHWSA-N 0 3 244.316 0.698 20 0 BCADHN C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccco2)CC[NH2+]1 ZINC000261644566 135242585 /nfs/dbraw/zinc/24/25/85/135242585.db2.gz GUNBRJFBKKUUHC-IUCAKERBSA-N 0 3 244.316 0.698 20 0 BCADHN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccco2)CC[NH2+]1 ZINC000261644563 135243012 /nfs/dbraw/zinc/24/30/12/135243012.db2.gz GUNBRJFBKKUUHC-BDAKNGLRSA-N 0 3 244.316 0.698 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000261693959 135245771 /nfs/dbraw/zinc/24/57/71/135245771.db2.gz FDPRXUNUZCOXLA-SECBINFHSA-N 0 3 245.286 0.231 20 0 BCADHN C[C@@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000261697004 135247132 /nfs/dbraw/zinc/24/71/32/135247132.db2.gz NPPLLEUZRWRIJO-IUCAKERBSA-N 0 3 244.316 0.698 20 0 BCADHN C[C@@H](N)C(=O)N(C)CC(=O)NCc1ccccc1 ZINC000261756185 135249771 /nfs/dbraw/zinc/24/97/71/135249771.db2.gz HSCITPOIWNUFMF-SNVBAGLBSA-N 0 3 249.314 0.108 20 0 BCADHN Cn1ccnc1[C@@H]1CNCCN1CC(F)(F)F ZINC000261800591 135254124 /nfs/dbraw/zinc/25/41/24/135254124.db2.gz RKYGHUKWJDTFJG-QMMMGPOBSA-N 0 3 248.252 0.929 20 0 BCADHN Cn1ccnc1[C@@H]1CNCCN1Cc1ccon1 ZINC000261810950 135254252 /nfs/dbraw/zinc/25/42/52/135254252.db2.gz SNGVSXWRJSZYNA-NSHDSACASA-N 0 3 247.302 0.555 20 0 BCADHN Cn1cc(CNC[C@H](CO)c2cccnc2)cn1 ZINC000342292391 135256571 /nfs/dbraw/zinc/25/65/71/135256571.db2.gz GFUOQFDEIGYGAD-CYBMUJFWSA-N 0 3 246.314 0.681 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000261845306 135256874 /nfs/dbraw/zinc/25/68/74/135256874.db2.gz LRLSGTIADMJPOK-ZYUZMQFOSA-N 0 3 224.304 0.407 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000261867624 135258511 /nfs/dbraw/zinc/25/85/11/135258511.db2.gz QFKNNZXGZMXFAC-HTQZYQBOSA-N 0 3 241.316 0.390 20 0 BCADHN Cn1nccc1CNC[C@H](CO)c1cccnc1 ZINC000342310409 135259041 /nfs/dbraw/zinc/25/90/41/135259041.db2.gz UPCVOKHAKNTXLV-GFCCVEGCSA-N 0 3 246.314 0.681 20 0 BCADHN C[C@H](CO)NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342350705 135261256 /nfs/dbraw/zinc/26/12/56/135261256.db2.gz UFOFHKXLOSRPFQ-KKZNHRDASA-N 0 3 241.335 0.149 20 0 BCADHN CCSCCN1CC[C@H](NC(=O)NC)C1 ZINC000342355398 135261903 /nfs/dbraw/zinc/26/19/03/135261903.db2.gz CFSSTLJAKFLYTF-VIFPVBQESA-N 0 3 231.365 0.743 20 0 BCADHN O=C(NC1CC1)[C@@H]1CCCN1C[C@@H]1CCOC1 ZINC000342363547 135262960 /nfs/dbraw/zinc/26/29/60/135262960.db2.gz AGHVTBVSARKBRX-JQWIXIFHSA-N 0 3 238.331 0.766 20 0 BCADHN COC[C@H](NC(=O)[C@@H](C)N)c1ccc(F)cc1 ZINC000261933180 135264605 /nfs/dbraw/zinc/26/46/05/135264605.db2.gz ZEJYXMCOLXZBJP-KCJUWKMLSA-N 0 3 240.278 0.977 20 0 BCADHN CNC(=O)N[C@@H]1CCN(CCSC)C1 ZINC000342339160 135264847 /nfs/dbraw/zinc/26/48/47/135264847.db2.gz OHTBIYYPYNVGOG-MRVPVSSYSA-N 0 3 217.338 0.353 20 0 BCADHN C[C@H]1[C@H](NC(=O)N2CCOCC2)CCCN1C ZINC000342336428 135265416 /nfs/dbraw/zinc/26/54/16/135265416.db2.gz CDSLCFKWLHBBPC-WDEREUQCSA-N 0 3 241.335 0.511 20 0 BCADHN C[C@H]1[C@@H](NC(=O)N2CCOCC2)CCCN1C ZINC000342336427 135265530 /nfs/dbraw/zinc/26/55/30/135265530.db2.gz CDSLCFKWLHBBPC-QWRGUYRKSA-N 0 3 241.335 0.511 20 0 BCADHN O=S(=O)(CC1CCCC1)N1CCCNCC1 ZINC000262036505 135274786 /nfs/dbraw/zinc/27/47/86/135274786.db2.gz KPCKOHVAEOXACT-UHFFFAOYSA-N 0 3 246.376 0.802 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CCOC1 ZINC000342461975 135276848 /nfs/dbraw/zinc/27/68/48/135276848.db2.gz ALXHHFAGSPKKDO-SCVCMEIPSA-N 0 3 238.331 0.622 20 0 BCADHN Cc1cc(C(=O)N(C)CCN2CCCC2)cnn1 ZINC000342459111 135277240 /nfs/dbraw/zinc/27/72/40/135277240.db2.gz ZKHZPCDKPKYKAY-UHFFFAOYSA-N 0 3 248.330 0.953 20 0 BCADHN [NH3+][C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000262101627 135278748 /nfs/dbraw/zinc/27/87/48/135278748.db2.gz SVHPIDFWRSGSFA-BDAKNGLRSA-N 0 3 244.316 0.828 20 0 BCADHN CO[C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000342474090 135278854 /nfs/dbraw/zinc/27/88/54/135278854.db2.gz NEIKVOVTJSIWDI-FXPVBKGRSA-N 0 3 226.320 0.620 20 0 BCADHN [NH3+][C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000262101629 135279003 /nfs/dbraw/zinc/27/90/03/135279003.db2.gz SVHPIDFWRSGSFA-IUCAKERBSA-N 0 3 244.316 0.828 20 0 BCADHN C[C@@H](C(=O)N1CCNC(C)(C)C1)n1cncn1 ZINC000262098276 135279076 /nfs/dbraw/zinc/27/90/76/135279076.db2.gz IINKFXDOCFCBJG-VIFPVBQESA-N 0 3 237.307 0.050 20 0 BCADHN CCC[C@](C)(N)C(=O)NC[C@@H](C)C(=O)OCC ZINC000262143392 135281433 /nfs/dbraw/zinc/28/14/33/135281433.db2.gz PUQGWHMAAHAFFL-SKDRFNHKSA-N 0 3 244.335 0.819 20 0 BCADHN CC[C@@H]1CC[C@H](C(=O)NCCNCCOC)O1 ZINC000262145350 135281940 /nfs/dbraw/zinc/28/19/40/135281940.db2.gz QIHQJDAGFRSFII-GHMZBOCLSA-N 0 3 244.335 0.296 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)C[C@H]1CCOC1 ZINC000262151492 135282170 /nfs/dbraw/zinc/28/21/70/135282170.db2.gz RRMWCBFARCTAOI-PWSUYJOCSA-N 0 3 228.336 0.999 20 0 BCADHN CS[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1N(C)C ZINC000342546321 135286548 /nfs/dbraw/zinc/28/65/48/135286548.db2.gz NLWZCSJUDVMCDD-VHSXEESVSA-N 0 3 245.392 0.052 20 0 BCADHN C[C@H](C(N)=O)N(C)CC[C@@H]1CCCO1 ZINC000342591929 135293590 /nfs/dbraw/zinc/29/35/90/135293590.db2.gz DXPQKRCAPLZMKW-BDAKNGLRSA-N 0 3 200.282 0.361 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)c1ncon1 ZINC000262415571 135295146 /nfs/dbraw/zinc/29/51/46/135295146.db2.gz QBBVACLGYDHFIX-XLPZGREQSA-N 0 3 226.280 0.620 20 0 BCADHN C[C@@H](C[S@@](C)=O)N(C)CC1(C)COC1 ZINC000342635296 135298706 /nfs/dbraw/zinc/29/87/06/135298706.db2.gz QDJOFGOWGQILLW-LKFCYVNXSA-N 0 3 219.350 0.722 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000342645190 135300519 /nfs/dbraw/zinc/30/05/19/135300519.db2.gz GELCNIJVFPYXRN-KXUCPTDWSA-N 0 3 242.319 0.666 20 0 BCADHN CCC(CC)(CC(=O)OC)NC(=O)[C@H](C)N ZINC000262495340 135302630 /nfs/dbraw/zinc/30/26/30/135302630.db2.gz ZCCBDTIFRCEVNJ-QMMMGPOBSA-N 0 3 230.308 0.572 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000262594745 135308135 /nfs/dbraw/zinc/30/81/35/135308135.db2.gz WFOQSTYRAQZQKW-RKDXNWHRSA-N 0 3 228.292 0.136 20 0 BCADHN Cc1c(NC(=O)CNCC2CC2)cnn1C ZINC000262612187 135308843 /nfs/dbraw/zinc/30/88/43/135308843.db2.gz JGQQRBLFHANQOX-UHFFFAOYSA-N 0 3 222.292 0.667 20 0 BCADHN CCC(CC)(NC(=O)CNCC1CC1)C(N)=O ZINC000262636091 135310673 /nfs/dbraw/zinc/31/06/73/135310673.db2.gz ZMNVEKIGFWGFQU-UHFFFAOYSA-N 0 3 241.335 0.146 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NCCC(C)C ZINC000342751437 135310870 /nfs/dbraw/zinc/31/08/70/135310870.db2.gz MWJUSDGIUUCMRU-VIFPVBQESA-N 0 3 230.308 0.429 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NCC1(C)CCC1 ZINC000342746110 135311454 /nfs/dbraw/zinc/31/14/54/135311454.db2.gz FNQZNYQDXGIWOZ-SECBINFHSA-N 0 3 242.319 0.573 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NCC1(C)CCC1 ZINC000342746111 135311501 /nfs/dbraw/zinc/31/15/01/135311501.db2.gz FNQZNYQDXGIWOZ-VIFPVBQESA-N 0 3 242.319 0.573 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N(C(C)C)C1CC1 ZINC000342755139 135312394 /nfs/dbraw/zinc/31/23/94/135312394.db2.gz RRYINXVEYYUNQI-SNVBAGLBSA-N 0 3 242.319 0.666 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)c1cn(C)nn1 ZINC000342707953 135312809 /nfs/dbraw/zinc/31/28/09/135312809.db2.gz IKRQNSHQOIDCCF-UHFFFAOYSA-N 0 3 239.323 0.227 20 0 BCADHN C[C@H](O)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000342719792 135314744 /nfs/dbraw/zinc/31/47/44/135314744.db2.gz CKGBMZNFHCUHEG-OUAUKWLOSA-N 0 3 226.320 0.452 20 0 BCADHN COCCOCCC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262749840 135316566 /nfs/dbraw/zinc/31/65/66/135316566.db2.gz GKIIMZATQTWBJE-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H]1NCCN(C(=O)[C@H]2CCCOC2)[C@H]1C ZINC000262841449 135320821 /nfs/dbraw/zinc/32/08/21/135320821.db2.gz XLJIEGDJGPOPPV-DCAQKATOSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccnn2C)[C@@H]1C ZINC000262846828 135321901 /nfs/dbraw/zinc/32/19/01/135321901.db2.gz RWHBFHJUAFDIAV-RKDXNWHRSA-N 0 3 222.292 0.243 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000342758124 135325379 /nfs/dbraw/zinc/32/53/79/135325379.db2.gz VSCGPSUNTTWOLK-UTLUCORTSA-N 0 3 212.293 0.219 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000342756853 135325466 /nfs/dbraw/zinc/32/54/66/135325466.db2.gz TUKKRZSTZVASHA-GMTAPVOTSA-N 0 3 226.320 0.609 20 0 BCADHN O=C(NCCNc1ccncc1)[C@@H]1CCOC1 ZINC000342775321 135327923 /nfs/dbraw/zinc/32/79/23/135327923.db2.gz FUPZFHDWLXBOII-SNVBAGLBSA-N 0 3 235.287 0.068 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCc1cccnc1 ZINC000342911445 135334015 /nfs/dbraw/zinc/33/40/15/135334015.db2.gz MTAOEZQLRGUPAT-SNVBAGLBSA-N 0 3 236.319 0.831 20 0 BCADHN COC[C@@H](C)NC(=O)N1CCCN(C)CC1 ZINC000334298195 135335177 /nfs/dbraw/zinc/33/51/77/135335177.db2.gz BGPJBFDUKPIACP-SNVBAGLBSA-N 0 3 229.324 0.368 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263170315 135337271 /nfs/dbraw/zinc/33/72/71/135337271.db2.gz FQRUFNUPZULFLO-IUCAKERBSA-N 0 3 247.289 0.146 20 0 BCADHN COCCN(C[C@H]1CCCOC1)[C@@H](C)C(N)=O ZINC000342943793 135337358 /nfs/dbraw/zinc/33/73/58/135337358.db2.gz QZNRTDSGVOAHBM-WDEREUQCSA-N 0 3 244.335 0.235 20 0 BCADHN CN(C(=O)c1cnn(C)c1)[C@@H]1CCN(C2CC2)C1 ZINC000334295602 135342333 /nfs/dbraw/zinc/34/23/33/135342333.db2.gz WZUVFEVTQVVYPR-GFCCVEGCSA-N 0 3 248.330 0.729 20 0 BCADHN C[C@H](CN1CCN(C)CC1)NCc1ncc[nH]1 ZINC000342999354 135343830 /nfs/dbraw/zinc/34/38/30/135343830.db2.gz ZADXBRVLVRMCDM-LLVKDONJSA-N 0 3 237.351 0.135 20 0 BCADHN CC[C@H](CO)NC(=O)NC1CCN(CC)CC1 ZINC000343012127 135344550 /nfs/dbraw/zinc/34/45/50/135344550.db2.gz WKNXVMZMWHETPZ-SNVBAGLBSA-N 0 3 243.351 0.541 20 0 BCADHN Cc1nnc(NCCN2CCCC2)nc1C ZINC000164477068 135346312 /nfs/dbraw/zinc/34/63/12/135346312.db2.gz GYICNSFJARNGSA-UHFFFAOYSA-N 0 3 221.308 0.996 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCOC(C)(C)C1 ZINC000334301809 135347054 /nfs/dbraw/zinc/34/70/54/135347054.db2.gz YNBQUFFGXSCSLB-JTQLQIEISA-N 0 3 243.351 0.757 20 0 BCADHN C[C@H]1[C@@H](N2CCCC2)CCN1S(C)(=O)=O ZINC000334305498 135347938 /nfs/dbraw/zinc/34/79/38/135347938.db2.gz CVVRTXQFGLDJCU-UWVGGRQHSA-N 0 3 232.349 0.505 20 0 BCADHN CC[C@@H]1CCN1C(=O)C(C)S(C)(=O)=O ZINC000334307354 135350102 /nfs/dbraw/zinc/35/01/02/135350102.db2.gz DIGCZBAQAIENLZ-JGVFFNPUSA-N 0 3 219.306 0.430 20 0 BCADHN CC[C@H]1CCN1C(=O)C(C)S(C)(=O)=O ZINC000334307362 135350171 /nfs/dbraw/zinc/35/01/71/135350171.db2.gz DIGCZBAQAIENLZ-YUMQZZPRSA-N 0 3 219.306 0.430 20 0 BCADHN C[C@H](O)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000334312959 135351912 /nfs/dbraw/zinc/35/19/12/135351912.db2.gz MUHYQNQGUPEORV-WPRPVWTQSA-N 0 3 212.293 0.062 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CC)CO ZINC000343130641 135359296 /nfs/dbraw/zinc/35/92/96/135359296.db2.gz SZKZJKIIZXFTBI-SECBINFHSA-N 0 3 202.298 0.215 20 0 BCADHN CCN1C[C@@H](C)[C@@H](NCc2nnc3n2CCC3)C1 ZINC000343156306 135362799 /nfs/dbraw/zinc/36/27/99/135362799.db2.gz BFTPUFFGUVWPEF-MNOVXSKESA-N 0 3 249.362 0.654 20 0 BCADHN 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/nfs/dbraw/zinc/08/51/73/136085173.db2.gz JRZJEMWJJVVIRL-ONGXEEELSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H](NC(=O)CN)[C@@H]1COc2ccccc21 ZINC000335375157 136085358 /nfs/dbraw/zinc/08/53/58/136085358.db2.gz MHPJFSJVXUNZKQ-SCZZXKLOSA-N 0 3 220.272 0.626 20 0 BCADHN COC1CN(C(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC000335384028 136088288 /nfs/dbraw/zinc/08/82/88/136088288.db2.gz XQPSECORYGYIAG-NXEZZACHSA-N 0 3 226.320 0.716 20 0 BCADHN COC1CN(C(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC000335384029 136088312 /nfs/dbraw/zinc/08/83/12/136088312.db2.gz XQPSECORYGYIAG-UWVGGRQHSA-N 0 3 226.320 0.716 20 0 BCADHN C[C@H](N)C(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000335384450 136088515 /nfs/dbraw/zinc/08/85/15/136088515.db2.gz GEKGQKHLUCGVOH-UWVGGRQHSA-N 0 3 226.320 0.751 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000335390116 136090612 /nfs/dbraw/zinc/09/06/12/136090612.db2.gz MJGVPGGXKHKRAO-GFCCVEGCSA-N 0 3 239.363 0.683 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N1CCCNCC1 ZINC000335390116 136090613 /nfs/dbraw/zinc/09/06/13/136090613.db2.gz MJGVPGGXKHKRAO-GFCCVEGCSA-N 0 3 239.363 0.683 20 0 BCADHN C[C@@H]1CCCN1CCS(=O)(=O)N(C)C ZINC000335552876 136098312 /nfs/dbraw/zinc/09/83/12/136098312.db2.gz PMDNCVVZUPXPRU-SECBINFHSA-N 0 3 220.338 0.362 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CCS(=O)(=O)N(C)C ZINC000335556080 136099767 /nfs/dbraw/zinc/09/97/67/136099767.db2.gz ULUBMYSHRQCNFW-AOOOYVTPSA-N 0 3 234.365 0.751 20 0 BCADHN CC(C)OC(=O)CCN1CC[C@@H](CO)C1 ZINC000348573190 136099517 /nfs/dbraw/zinc/09/95/17/136099517.db2.gz WCNBXJDDXWJPJY-SNVBAGLBSA-N 0 3 215.293 0.642 20 0 BCADHN C[C@H]1CN(CCS(=O)(=O)N(C)C)C[C@H]1C ZINC000335556045 136099744 /nfs/dbraw/zinc/09/97/44/136099744.db2.gz JKAYAIQPOQFMJK-AOOOYVTPSA-N 0 3 234.365 0.466 20 0 BCADHN C[C@@H]1CCN(CCS(=O)(=O)N(C)C)[C@H]1C ZINC000335556039 136099775 /nfs/dbraw/zinc/09/97/75/136099775.db2.gz GEBIHYKESURXAO-ZJUUUORDSA-N 0 3 234.365 0.608 20 0 BCADHN CC1(C)CN([C@@H]2CCCNC2=O)CC[C@@H]1O ZINC000335558199 136100612 /nfs/dbraw/zinc/10/06/12/136100612.db2.gz NCCUOUPQXDAUBL-ZJUUUORDSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@H](CNC(=O)c1cnc2n[nH]nc2c1)N(C)C ZINC000348590176 136100977 /nfs/dbraw/zinc/10/09/77/136100977.db2.gz ADSHAWNQMDLNPX-ZETCQYMHSA-N 0 3 248.290 0.033 20 0 BCADHN Cc1ccsc1CN1C[C@@H](O)[C@H](CO)C1 ZINC000335585015 136101517 /nfs/dbraw/zinc/10/15/17/136101517.db2.gz BOKRNNGLGAHWOQ-VHSXEESVSA-N 0 3 227.329 0.842 20 0 BCADHN Cc1ccsc1CN1C[C@H](O)[C@H](CO)C1 ZINC000335585014 136101593 /nfs/dbraw/zinc/10/15/93/136101593.db2.gz BOKRNNGLGAHWOQ-UWVGGRQHSA-N 0 3 227.329 0.842 20 0 BCADHN OC[C@H]1CN(CC2=CCCCC2)C[C@@H]1O ZINC000335587618 136102207 /nfs/dbraw/zinc/10/22/07/136102207.db2.gz YELSYIUBONFMTE-NEPJUHHUSA-N 0 3 211.305 0.772 20 0 BCADHN NC1(C(=O)N[C@H]2CCC[C@H](F)C2)CCOCC1 ZINC000335590039 136103118 /nfs/dbraw/zinc/10/31/18/136103118.db2.gz FOTLZWDZJAZTIS-UWVGGRQHSA-N 0 3 244.310 0.891 20 0 BCADHN CN(CC1CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000335569780 136108927 /nfs/dbraw/zinc/10/89/27/136108927.db2.gz FWIAIOCRUQOOBQ-JTQLQIEISA-N 0 3 232.349 0.362 20 0 BCADHN CN(CC1CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000335569782 136108760 /nfs/dbraw/zinc/10/87/60/136108760.db2.gz FWIAIOCRUQOOBQ-SNVBAGLBSA-N 0 3 232.349 0.362 20 0 BCADHN CN(CC1=CCCOC1)[C@@H]1COC[C@@H]1O ZINC000348633890 136113893 /nfs/dbraw/zinc/11/38/93/136113893.db2.gz KWVJHQTZJCRTDX-MNOVXSKESA-N 0 3 213.277 0.025 20 0 BCADHN COc1ccc(C(=O)N[C@H](C)CC[NH3+])c([O-])c1 ZINC000050378004 322849543 /nfs/dbraw/zinc/84/95/43/322849543.db2.gz RBBSCKLAVGFJAA-MRVPVSSYSA-N 0 3 238.287 0.868 20 0 BCADHN CC[NH2+]CCNC(=O)c1cccc(OC)c1[O-] ZINC000054263388 322857011 /nfs/dbraw/zinc/85/70/11/322857011.db2.gz LWSUPQYTFLSYLI-UHFFFAOYSA-N 0 3 238.287 0.740 20 0 BCADHN CNCC(=O)NCCc1ccc2c(c1)CCO2 ZINC000077369249 322860859 /nfs/dbraw/zinc/86/08/59/322860859.db2.gz PNVPSLPWOCIEBN-UHFFFAOYSA-N 0 3 234.299 0.500 20 0 BCADHN CC(C)N(CCCC(=O)N(C)C)CC(N)=O ZINC000570460147 397747836 /nfs/dbraw/zinc/74/78/36/397747836.db2.gz IBEPLOYRLJLJQD-UHFFFAOYSA-N 0 3 229.324 0.051 20 0 BCADHN CN(C[C@@H]1CCOC1)C(=O)[C@H]1NCC1(C)C ZINC000644015701 397749997 /nfs/dbraw/zinc/74/99/97/397749997.db2.gz YFHWQLGLBVQHCJ-VHSXEESVSA-N 0 3 226.320 0.479 20 0 BCADHN CC(C)(C)[C@@H](CCO)NCC(=O)NCC1CC1 ZINC000181479986 397808159 /nfs/dbraw/zinc/80/81/59/397808159.db2.gz PDMBQMFBTQYAHJ-LLVKDONJSA-N 0 3 242.363 0.899 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccnc(CN)c2)C[C@H](C)N1 ZINC000644087197 397754453 /nfs/dbraw/zinc/75/44/53/397754453.db2.gz WGOKEUIFCBIVFF-AOOOYVTPSA-N 0 3 248.330 0.363 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@@H]1NCC1(C)C ZINC000381579169 397761189 /nfs/dbraw/zinc/76/11/89/397761189.db2.gz DSOMLESZDPZUSZ-IUCAKERBSA-N 0 3 214.309 0.262 20 0 BCADHN CCN(C)CCNC(=O)Cc1ccc(N)cn1 ZINC000229620301 397768716 /nfs/dbraw/zinc/76/87/16/397768716.db2.gz KPGYYWZLSKHPFX-UHFFFAOYSA-N 0 3 236.319 0.274 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)[C@H]1CCCO1 ZINC000103453892 397780549 /nfs/dbraw/zinc/78/05/49/397780549.db2.gz KTXBXFVTUDNRFU-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C)CC(=O)N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000647628410 397792980 /nfs/dbraw/zinc/79/29/80/397792980.db2.gz KXAPSXUFOXNLQR-QWRGUYRKSA-N 0 3 243.326 0.193 20 0 BCADHN CN(C)CC(=O)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000647628411 397793036 /nfs/dbraw/zinc/79/30/36/397793036.db2.gz KXAPSXUFOXNLQR-WDEREUQCSA-N 0 3 243.326 0.193 20 0 BCADHN CN(C[C@@H]1CCCC[C@@H]1O)[C@H]1CCN(C)C1=O ZINC000181468551 397807099 /nfs/dbraw/zinc/80/70/99/397807099.db2.gz YNIKKVSLEOWVLS-SRVKXCTJSA-N 0 3 240.347 0.700 20 0 BCADHN CCN1C[C@H](C)N(Cc2nnnn2C)C[C@@H]1C ZINC000408048031 397840164 /nfs/dbraw/zinc/84/01/64/397840164.db2.gz UTYQFAWDHPFSCO-UWVGGRQHSA-N 0 3 238.339 0.125 20 0 BCADHN CCN1C[C@H](C)N(Cc2nnnn2C)C[C@H]1C ZINC000408048033 397840552 /nfs/dbraw/zinc/84/05/52/397840552.db2.gz UTYQFAWDHPFSCO-ZJUUUORDSA-N 0 3 238.339 0.125 20 0 BCADHN C[C@@H](N)C(=O)NCCOc1ncccc1Cl ZINC000178869980 397850304 /nfs/dbraw/zinc/85/03/04/397850304.db2.gz JHUXHVZCPYTJNU-SSDOTTSWSA-N 0 3 243.694 0.577 20 0 BCADHN COCCCN(C)[C@H](C)C[S@](C)=O ZINC000185111526 397871352 /nfs/dbraw/zinc/87/13/52/397871352.db2.gz ROIUOMGPBRMESL-RNCFNFMXSA-N 0 3 207.339 0.722 20 0 BCADHN Cn1cccc1CNC1COCCOC1 ZINC000390010594 397875286 /nfs/dbraw/zinc/87/52/86/397875286.db2.gz ZBZLLTQMBQMGNV-UHFFFAOYSA-N 0 3 210.277 0.530 20 0 BCADHN CN(C)CCN(C)C(=O)NC[C@H]1CCCOC1 ZINC000356113901 397928773 /nfs/dbraw/zinc/92/87/73/397928773.db2.gz FTQXPOBPKOZCBT-LLVKDONJSA-N 0 3 243.351 0.616 20 0 BCADHN Cc1ccc(C)c(NC(=O)[C@@H]2C[C@@H](O)CN2)c1 ZINC000020434260 397965036 /nfs/dbraw/zinc/96/50/36/397965036.db2.gz ONKDXGRJDOFAFX-PWSUYJOCSA-N 0 3 234.299 0.965 20 0 BCADHN CN(C[C@@H]1CCCC[C@H]1O)[C@@H]1CCNC1=O ZINC000408138313 397933313 /nfs/dbraw/zinc/93/33/13/397933313.db2.gz JLVBYVFZZXVEHG-HBNTYKKESA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCCCN1CC(N)=O ZINC000163135166 397965956 /nfs/dbraw/zinc/96/59/56/397965956.db2.gz INPGBANQBSSTPX-ZJUUUORDSA-N 0 3 214.309 0.487 20 0 BCADHN CN1CCC[C@@H]1CN1CCN(C2CC2)C(=O)C1 ZINC000649548003 397938492 /nfs/dbraw/zinc/93/84/92/397938492.db2.gz ISTJXLCOLNILKP-GFCCVEGCSA-N 0 3 237.347 0.387 20 0 BCADHN C[C@H](CNC(=O)[C@H](C)O)N1CCC[C@@H](C)C1 ZINC000448704434 397939860 /nfs/dbraw/zinc/93/98/60/397939860.db2.gz LLXNYVWBYOESRH-MXWKQRLJSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H](O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000448704433 397939890 /nfs/dbraw/zinc/93/98/90/397939890.db2.gz LLXNYVWBYOESRH-GMTAPVOTSA-N 0 3 228.336 0.604 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)CC[C@H](C)O ZINC000159101548 397941340 /nfs/dbraw/zinc/94/13/40/397941340.db2.gz NSMIIUYCKFUMIG-VHSXEESVSA-N 0 3 216.325 0.733 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C(=O)[C@H]1NCC1(C)C ZINC000592022773 397941908 /nfs/dbraw/zinc/94/19/08/397941908.db2.gz FLLDYEMNQRLMJU-DTWKUNHWSA-N 0 3 242.319 0.252 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3CCC3)[C@H]2C1 ZINC000644815560 397947552 /nfs/dbraw/zinc/94/75/52/397947552.db2.gz PSLVXMIUTPIWJQ-MNOVXSKESA-N 0 3 208.305 0.949 20 0 BCADHN Cc1nn(C)cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644815927 397954031 /nfs/dbraw/zinc/95/40/31/397954031.db2.gz SVJZNZFPTZMYCV-PWSUYJOCSA-N 0 3 248.330 0.505 20 0 BCADHN C[C@@H](O)[C@H]1CCCN(C[C@@H]2CCC(=O)N2)C1 ZINC000649566672 397954873 /nfs/dbraw/zinc/95/48/73/397954873.db2.gz TURUAXGVEDPYJR-VWYCJHECSA-N 0 3 226.320 0.358 20 0 BCADHN CN(C[C@H]1CCCN1C)C1(C(N)=O)CCCC1 ZINC000649568221 397957057 /nfs/dbraw/zinc/95/70/57/397957057.db2.gz SRSQLAFNLGPUBB-LLVKDONJSA-N 0 3 239.363 0.811 20 0 BCADHN CCN1CCN(C[C@@H]2CCC(=O)N2)C[C@H]1C ZINC000649567561 397958148 /nfs/dbraw/zinc/95/81/48/397958148.db2.gz WEVHWHIWMYXJPY-MNOVXSKESA-N 0 3 225.336 0.291 20 0 BCADHN C[C@@H]1[C@H](O)CCN1CCOC[C@@H]1CCCO1 ZINC000650187865 397968156 /nfs/dbraw/zinc/96/81/56/397968156.db2.gz GBMQBYLKYMGTGW-GRYCIOLGSA-N 0 3 229.320 0.637 20 0 BCADHN CN1CCN(C[C@@H]2CCC(=O)N2)C(C)(C)C1 ZINC000649572233 397959701 /nfs/dbraw/zinc/95/97/01/397959701.db2.gz OYVIAZMQNMIIDV-JTQLQIEISA-N 0 3 225.336 0.291 20 0 BCADHN O=C1CC[C@@H](CN2CCCSCC2)N1 ZINC000649570148 397959886 /nfs/dbraw/zinc/95/98/86/397959886.db2.gz PYZIAHXHZOZSCO-VIFPVBQESA-N 0 3 214.334 0.704 20 0 BCADHN CC(C)C(=O)NCCN[C@@H](C)c1ccnn1C ZINC000192246363 397892796 /nfs/dbraw/zinc/89/27/96/397892796.db2.gz MSPJTFWYYPOKBY-JTQLQIEISA-N 0 3 238.335 0.843 20 0 BCADHN CCOCCCCNC(=O)COC1(C)CNC1 ZINC000388383264 397894498 /nfs/dbraw/zinc/89/44/98/397894498.db2.gz VJSQLNDGCGHUMM-UHFFFAOYSA-N 0 3 244.335 0.298 20 0 BCADHN CO[C@H](CNCC1(S(C)(=O)=O)CC1)C1CC1 ZINC000400236376 397895496 /nfs/dbraw/zinc/89/54/96/397895496.db2.gz VCJUBZKDKJBRAX-SNVBAGLBSA-N 0 3 247.360 0.578 20 0 BCADHN COc1ncc(CNC[C@@]2(O)CCOC2)s1 ZINC000390604509 397897147 /nfs/dbraw/zinc/89/71/47/397897147.db2.gz XEXUDMYFOAKCSJ-JTQLQIEISA-N 0 3 244.316 0.393 20 0 BCADHN CC(C)[C@H](CO)CNC(=O)/C=C\CN(C)C ZINC000492894258 397900295 /nfs/dbraw/zinc/90/02/95/397900295.db2.gz NXRSZOZFDHFIEV-GZTOBOFZSA-N 0 3 228.336 0.485 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCC(C(N)=O)CC1 ZINC000011959609 397902830 /nfs/dbraw/zinc/90/28/30/397902830.db2.gz LMYHINKWFSGRMG-SCZZXKLOSA-N 0 3 241.335 0.084 20 0 BCADHN Cn1cncc1CN[C@H]1CCN(C2CC2)C1 ZINC000082432860 397919230 /nfs/dbraw/zinc/91/92/30/397919230.db2.gz COXVLMNZPLNZIO-JTQLQIEISA-N 0 3 220.320 0.746 20 0 BCADHN CCc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2)cc1 ZINC000020434365 397964684 /nfs/dbraw/zinc/96/46/84/397964684.db2.gz VNZVGTQKUYAHBW-VXGBXAGGSA-N 0 3 234.299 0.910 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccon3)[C@H]2C1 ZINC000644817667 397990089 /nfs/dbraw/zinc/99/00/89/397990089.db2.gz KLZDQMMVOJUGPV-SCZZXKLOSA-N 0 3 221.260 0.451 20 0 BCADHN COC(=O)[C@@H](C1CC1)N1CC[C@](C)(C(N)=O)C1 ZINC000300530043 397993000 /nfs/dbraw/zinc/99/30/00/397993000.db2.gz KDNYJEQNBCSXAW-SKDRFNHKSA-N 0 3 240.303 0.135 20 0 BCADHN Cn1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000644818014 397997170 /nfs/dbraw/zinc/99/71/70/397997170.db2.gz MBRWTSPEUSFSPD-ZYHUDNBSSA-N 0 3 233.315 0.801 20 0 BCADHN Cc1cnn([C@H]2CCN(C[C@@H]3CCC(=O)N3)C2)c1 ZINC000649614081 397997926 /nfs/dbraw/zinc/99/79/26/397997926.db2.gz KTFAKFKWLXRVDU-RYUDHWBXSA-N 0 3 248.330 0.717 20 0 BCADHN CCN(CCCS(N)(=O)=O)C[C@H](C)OC ZINC000383086209 397998741 /nfs/dbraw/zinc/99/87/41/397998741.db2.gz LDUCDKZXHFBLTC-VIFPVBQESA-N 0 3 238.353 0.022 20 0 BCADHN NCc1noc([C@@H]2CC[C@@H](C3CC3)N2)n1 ZINC000650229049 397998768 /nfs/dbraw/zinc/99/87/68/397998768.db2.gz NVAZWHBYOXPMHQ-YUMQZZPRSA-N 0 3 208.265 0.731 20 0 BCADHN O=C1CC[C@@H](CN2CC[C@H](n3cccn3)C2)N1 ZINC000649615455 397998930 /nfs/dbraw/zinc/99/89/30/397998930.db2.gz AFRKIAYDVYONNC-QWRGUYRKSA-N 0 3 234.303 0.409 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)Cc1ccncc1 ZINC000567817709 398003345 /nfs/dbraw/zinc/00/33/45/398003345.db2.gz PMFBACNABWRKAN-MWLCHTKSSA-N 0 3 221.304 0.866 20 0 BCADHN COC(=O)[C@H]1CCN(CCn2cc(C)cn2)C1 ZINC000303029880 398005543 /nfs/dbraw/zinc/00/55/43/398005543.db2.gz SMODWZLYJLEPAL-NSHDSACASA-N 0 3 237.303 0.686 20 0 BCADHN CC[C@@H]1CN(CC)CCN1C[C@@H]1CCC(=O)N1 ZINC000649622478 398007211 /nfs/dbraw/zinc/00/72/11/398007211.db2.gz IGFJUVCJQVRURM-NWDGAFQWSA-N 0 3 239.363 0.681 20 0 BCADHN C[C@H](CO)CN[C@](C)(CO)c1cccc(O)c1 ZINC000649626101 398008073 /nfs/dbraw/zinc/00/80/73/398008073.db2.gz CRYVVHDVAWPLMZ-GXFFZTMASA-N 0 3 239.315 0.818 20 0 BCADHN Cc1cncc(CCN2CC[C@@H](O)[C@H]2C)n1 ZINC000649622819 398008096 /nfs/dbraw/zinc/00/80/96/398008096.db2.gz VXKYLMDAEFGIGL-ZYHUDNBSSA-N 0 3 221.304 0.783 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCCc1cncc(C)n1 ZINC000649627310 398008856 /nfs/dbraw/zinc/00/88/56/398008856.db2.gz ACRWZXLAJQRTDQ-NWDGAFQWSA-N 0 3 237.303 0.331 20 0 BCADHN Cn1nccc1[C@H](CO)NC[C@H]1CCCN1C ZINC000649627549 398009141 /nfs/dbraw/zinc/00/91/41/398009141.db2.gz LFZQNVBEIDCNKH-MNOVXSKESA-N 0 3 238.335 0.137 20 0 BCADHN Cc1cncc(CCNC2(C(=O)N(C)C)CC2)n1 ZINC000649629976 398011360 /nfs/dbraw/zinc/01/13/60/398011360.db2.gz ZWJDNLHRNJDTNB-UHFFFAOYSA-N 0 3 248.330 0.538 20 0 BCADHN O=C1CC[C@@H](CN2CCC[C@@H](n3ccnn3)C2)N1 ZINC000649632689 398011793 /nfs/dbraw/zinc/01/17/93/398011793.db2.gz UGULRZZWRQKVCH-WDEREUQCSA-N 0 3 249.318 0.194 20 0 BCADHN CCC(=O)N1CCN(C[C@H]2CCCN2C)C1 ZINC000649632622 398011953 /nfs/dbraw/zinc/01/19/53/398011953.db2.gz QRAQQWLWKRRVTB-LLVKDONJSA-N 0 3 225.336 0.592 20 0 BCADHN C[C@H]1CN(CCC(C)(C)O)[C@@H](C)CN1CCO ZINC000649631799 398012867 /nfs/dbraw/zinc/01/28/67/398012867.db2.gz NBEDYGQRORIVSL-RYUDHWBXSA-N 0 3 244.379 0.534 20 0 BCADHN O=C(CCOC1CNC1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647097257 398017847 /nfs/dbraw/zinc/01/78/47/398017847.db2.gz IILMPQZJXWZPAX-GARJFASQSA-N 0 3 238.331 0.670 20 0 BCADHN CO[C@H](C)CN(C)[C@@H]1CCCCNC1=O ZINC000373310743 398020215 /nfs/dbraw/zinc/02/02/15/398020215.db2.gz MNXLHMNRJWZQIX-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CO[C@@H](C)CN(C)[C@H]1CCCCNC1=O ZINC000373310744 398020561 /nfs/dbraw/zinc/02/05/61/398020561.db2.gz MNXLHMNRJWZQIX-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H](CO)CNC(=O)NC1CCN(C)CC1 ZINC000193789996 398029397 /nfs/dbraw/zinc/02/93/97/398029397.db2.gz NTTBZTTZIWMOBI-VIFPVBQESA-N 0 3 229.324 0.008 20 0 BCADHN CN(Cc1cccc(N)c1)CC(C)(CO)CO ZINC000383623968 398031164 /nfs/dbraw/zinc/03/11/64/398031164.db2.gz AJUCEKBNPCWGCB-UHFFFAOYSA-N 0 3 238.331 0.692 20 0 BCADHN CC(=O)NCCN(C)C[C@H](O)COCC(C)C ZINC000564726664 398039716 /nfs/dbraw/zinc/03/97/16/398039716.db2.gz PUFROSVIEOVFIH-LBPRGKRZSA-N 0 3 246.351 0.088 20 0 BCADHN COCCn1cc(CN[C@@H](C)C[C@H](C)O)cn1 ZINC000361033594 397969594 /nfs/dbraw/zinc/96/95/94/397969594.db2.gz TZIKLDBUEASSJC-QWRGUYRKSA-N 0 3 241.335 0.779 20 0 BCADHN C[C@H](NCCN1CCCOCC1)c1cn[nH]c1 ZINC000361327761 397975351 /nfs/dbraw/zinc/97/53/51/397975351.db2.gz BAFARJPSLKBYNQ-NSHDSACASA-N 0 3 238.335 0.783 20 0 BCADHN CO[C@H]1CCN(CC(=O)N(C)C2CC2)C[C@H]1C ZINC000451552772 397976662 /nfs/dbraw/zinc/97/66/62/397976662.db2.gz XUWFNIRKIPGKNQ-PWSUYJOCSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H](CCCO)C1 ZINC000452135731 397985132 /nfs/dbraw/zinc/98/51/32/397985132.db2.gz WMZVKEKRQUZXIA-GFCCVEGCSA-N 0 3 242.363 0.949 20 0 BCADHN CC(C(=O)N[C@]1(C)CCO[C@H]1C)S(C)(=O)=O ZINC000408181212 397985868 /nfs/dbraw/zinc/98/58/68/397985868.db2.gz BMIUXPYZWWUJDV-OYNCUSHFSA-N 0 3 249.332 0.103 20 0 BCADHN CC(C(=O)N[C@@]1(C)CCO[C@H]1C)S(C)(=O)=O ZINC000408181213 397986031 /nfs/dbraw/zinc/98/60/31/397986031.db2.gz BMIUXPYZWWUJDV-WEDXCCLWSA-N 0 3 249.332 0.103 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCCO2)C1 ZINC000644817510 397986713 /nfs/dbraw/zinc/98/67/13/397986713.db2.gz JOHCKGDKKCIKTL-GARJFASQSA-N 0 3 224.304 0.328 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Cc3cccnc3)[C@@H]2C1 ZINC000644817572 397987453 /nfs/dbraw/zinc/98/74/53/397987453.db2.gz IUCJHUNPRVRUEZ-CHWSQXEVSA-N 0 3 245.326 0.787 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)C1CCOCC1 ZINC000382921542 397989298 /nfs/dbraw/zinc/98/92/98/397989298.db2.gz CIJVFAFJEQEWDK-VIFPVBQESA-N 0 3 226.320 0.764 20 0 BCADHN Cc1cnc(CCNCc2ccnn2C)nc1 ZINC000340107184 398060904 /nfs/dbraw/zinc/06/09/04/398060904.db2.gz XTBQQYHLZLAXBT-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN CC(C)OC(=O)CCNC(=O)/C=C\CN(C)C ZINC000491684598 398060943 /nfs/dbraw/zinc/06/09/43/398060943.db2.gz GRWCLHCHKKWCSG-WAYWQWQTSA-N 0 3 242.319 0.562 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1nnc(C)n1C ZINC000393066061 398062334 /nfs/dbraw/zinc/06/23/34/398062334.db2.gz STDKJJFTTVFMGB-XVKPBYJWSA-N 0 3 239.323 0.113 20 0 BCADHN CO[C@H](C)[C@@H](C)NC1COCCOC1 ZINC000389263241 398063001 /nfs/dbraw/zinc/06/30/01/398063001.db2.gz HKKIEIGJVBCKBM-RKDXNWHRSA-N 0 3 203.282 0.415 20 0 BCADHN CCN(C)CCNC(=O)NCCc1cn[nH]c1 ZINC000291335224 398092733 /nfs/dbraw/zinc/09/27/33/398092733.db2.gz RONUDFBMBGSOEC-UHFFFAOYSA-N 0 3 239.323 0.203 20 0 BCADHN CC[C@@](C)(N)c1cn(CC[C@H](C)O)nn1 ZINC000384160782 398067042 /nfs/dbraw/zinc/06/70/42/398067042.db2.gz JVQORUQSELUPMG-WCBMZHEXSA-N 0 3 212.297 0.633 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CC[C@@]2(CCOC2)C1 ZINC000334776875 398093143 /nfs/dbraw/zinc/09/31/43/398093143.db2.gz NIXSAKMCBZBEEY-GXFFZTMASA-N 0 3 238.331 0.766 20 0 BCADHN Cc1nnsc1CNC[C@@H](C)N(C)C ZINC000389292079 398068670 /nfs/dbraw/zinc/06/86/70/398068670.db2.gz ZXSDPXGOAVGRFB-SSDOTTSWSA-N 0 3 214.338 0.886 20 0 BCADHN CC[C@@H]1CN(CCC(=O)NC)[C@@H](C)CO1 ZINC000649731430 398071345 /nfs/dbraw/zinc/07/13/45/398071345.db2.gz HOPNUWVBLZCXFC-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2ncc[nH]2)nn1 ZINC000384190663 398072118 /nfs/dbraw/zinc/07/21/18/398072118.db2.gz VHNHMCATBCWCJE-JTQLQIEISA-N 0 3 220.280 0.633 20 0 BCADHN CC[C@@](C)(N)c1cn(C[C@@H](C)OC)nn1 ZINC000384191286 398072802 /nfs/dbraw/zinc/07/28/02/398072802.db2.gz VRZZPYHHHZLPTB-PSASIEDQSA-N 0 3 212.297 0.897 20 0 BCADHN Cc1nnsc1CN[C@H]1CCCNC(=O)C1 ZINC000384194683 398073342 /nfs/dbraw/zinc/07/33/42/398073342.db2.gz XJYXRYZRCIGXQI-QMMMGPOBSA-N 0 3 240.332 0.605 20 0 BCADHN CC[C@](C)(N)c1cn(CC(=O)NC2CC2)nn1 ZINC000384196013 398074006 /nfs/dbraw/zinc/07/40/06/398074006.db2.gz 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ZINC000649799179 398107996 /nfs/dbraw/zinc/10/79/96/398107996.db2.gz RDBBDLBVMNLETO-NSHDSACASA-N 0 3 238.335 0.619 20 0 BCADHN C[C@H](CO)C1CCN(CCn2cncn2)CC1 ZINC000649799178 398108119 /nfs/dbraw/zinc/10/81/19/398108119.db2.gz RDBBDLBVMNLETO-LLVKDONJSA-N 0 3 238.335 0.619 20 0 BCADHN C[C@H](CO)C1CCN([C@H]2CCCNC2=O)CC1 ZINC000649799851 398108655 /nfs/dbraw/zinc/10/86/55/398108655.db2.gz FSPDDEXVWZJIFT-PWSUYJOCSA-N 0 3 240.347 0.605 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCCn1cnnc1C ZINC000236933042 398118443 /nfs/dbraw/zinc/11/84/43/398118443.db2.gz GBUMSTHOOLYMLI-SCZZXKLOSA-N 0 3 239.323 0.076 20 0 BCADHN CC[C@@H](C)N(C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000245908295 398119546 /nfs/dbraw/zinc/11/95/46/398119546.db2.gz NQLGKVRJPPJVPQ-NXEZZACHSA-N 0 3 243.351 0.310 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3CC(C)(O)C3)[C@H]2C1 ZINC000650322997 398111638 /nfs/dbraw/zinc/11/16/38/398111638.db2.gz ZMYIVWBLUMIVLV-JJOYANBFSA-N 0 3 238.331 0.310 20 0 BCADHN C[C@H](CO)C1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000649806650 398113668 /nfs/dbraw/zinc/11/36/68/398113668.db2.gz ZWKAPWVWCLUYIR-MNOVXSKESA-N 0 3 242.363 0.804 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C[C@@H]2CNCCO2)[C@H](C)O1 ZINC000384968686 398121481 /nfs/dbraw/zinc/12/14/81/398121481.db2.gz SVCFLQDUVFNPQX-YTWAJWBKSA-N 0 3 242.319 0.047 20 0 BCADHN CNC(=O)CCN1C[C@@H](C)OCC12CCC2 ZINC000649824465 398126021 /nfs/dbraw/zinc/12/60/21/398126021.db2.gz DGYBQVUNKOIETC-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@@H](O)[C@@H]1CCCCN1CC(=O)NC1CC1 ZINC000078724626 398131810 /nfs/dbraw/zinc/13/18/10/398131810.db2.gz LTPUOTBVJKLSMQ-NWDGAFQWSA-N 0 3 240.347 0.890 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H](C)Cc1cnccn1 ZINC000571917975 398128046 /nfs/dbraw/zinc/12/80/46/398128046.db2.gz JTSDKKXKEGVBSV-MVWJERBFSA-N 0 3 237.303 0.411 20 0 BCADHN COCCCN1CCC([C@H](O)C(=O)OC)CC1 ZINC000135388268 398134203 /nfs/dbraw/zinc/13/42/03/398134203.db2.gz LCUYVNFQUFNKBZ-NSHDSACASA-N 0 3 245.319 0.269 20 0 BCADHN C[C@@H](O)CCN1CCN(C[C@H]2CCOC2)CC1 ZINC000336712628 398135221 /nfs/dbraw/zinc/13/52/21/398135221.db2.gz OCKCDOHBPULIBD-CHWSQXEVSA-N 0 3 242.363 0.411 20 0 BCADHN CC(C)NC(=O)CCN1CCNC(=O)C[C@@H]1C ZINC000371196121 167038466 /nfs/dbraw/zinc/03/84/66/167038466.db2.gz QVEVKGHUNWSJLE-JTQLQIEISA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)NC(=O)CN(C)C1CCC(CO)CC1 ZINC000305086447 167045753 /nfs/dbraw/zinc/04/57/53/167045753.db2.gz OCZRNFXLCUSLPJ-UHFFFAOYSA-N 0 3 242.363 0.994 20 0 BCADHN CNC(=O)CN1CCCC[C@@H](COC)C1 ZINC000364266725 173274129 /nfs/dbraw/zinc/27/41/29/173274129.db2.gz CCSJOZZPKFYSKU-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN CNC(=O)CN[C@@]1(C)CCO[C@H]1C1CC1 ZINC000336750105 173277981 /nfs/dbraw/zinc/27/79/81/173277981.db2.gz DPXNMOMLMFYFIX-QWRGUYRKSA-N 0 3 212.293 0.280 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CCSC1 ZINC000035136084 167057618 /nfs/dbraw/zinc/05/76/18/167057618.db2.gz MFGWMZQECCWUGW-MRVPVSSYSA-N 0 3 202.323 0.606 20 0 BCADHN CC(C)NC(=O)CNC(=O)[C@]1(C)CCCCN1 ZINC000136146821 167056307 /nfs/dbraw/zinc/05/63/07/167056307.db2.gz 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/nfs/dbraw/zinc/02/70/59/411027059.db2.gz RNNSBSHGUOWPAC-APPZFPTMSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)[C@@H](N)C1CCC1 ZINC000399225627 411027264 /nfs/dbraw/zinc/02/72/64/411027264.db2.gz MSGZYRBGORVUBL-QXEWZRGKSA-N 0 3 228.336 0.637 20 0 BCADHN CCN1CCN(CCCC(=O)N(C)C)[C@H](C)C1 ZINC000653672512 411162850 /nfs/dbraw/zinc/16/28/50/411162850.db2.gz QAABUXSNUSRCKE-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CCn1cc([C@H](C)NCCC(N)=O)cn1 ZINC000044495977 411137061 /nfs/dbraw/zinc/13/70/61/411137061.db2.gz CAPAYPPDIFSZNY-QMMMGPOBSA-N 0 3 210.281 0.429 20 0 BCADHN C[C@@H](CO)NCc1cnnn1-c1ccccc1 ZINC000651726385 411138851 /nfs/dbraw/zinc/13/88/51/411138851.db2.gz KXAPQUBEAGCRKK-JTQLQIEISA-N 0 3 232.287 0.738 20 0 BCADHN CCCC(C)(C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000651736011 411140226 /nfs/dbraw/zinc/14/02/26/411140226.db2.gz KLGNIZVDAZYTPC-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN CCN(CC(=O)N(C)C)C[C@H]1CCOC1 ZINC000047718922 411163533 /nfs/dbraw/zinc/16/35/33/411163533.db2.gz IRAHIMHVCHYGFK-SNVBAGLBSA-N 0 3 214.309 0.433 20 0 BCADHN OC[C@@H](O)CNCc1cc2cnccc2o1 ZINC000651780619 411143258 /nfs/dbraw/zinc/14/32/58/411143258.db2.gz NTTXASMKNOVVFY-VIFPVBQESA-N 0 3 222.244 0.271 20 0 BCADHN OC[C@@H]1CN(Cc2cccc3c2CCC3)C[C@H]1O ZINC000651829221 411146869 /nfs/dbraw/zinc/14/68/69/411146869.db2.gz UXJZGKOEKBYQBI-DZGCQCFKSA-N 0 3 247.338 0.960 20 0 BCADHN CN(CCOCC1CC1)C[C@]1(O)CCCOC1 ZINC000659998983 411163987 /nfs/dbraw/zinc/16/39/87/411163987.db2.gz VLEQXCQCJVHOCB-CYBMUJFWSA-N 0 3 243.347 0.886 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000119035725 411149977 /nfs/dbraw/zinc/14/99/77/411149977.db2.gz XRYRJVGHIPOFEX-GMTAPVOTSA-N 0 3 236.319 0.830 20 0 BCADHN CC(C)NC(=O)CN(C)C[C@@H]1CCOC1 ZINC000047707165 411164054 /nfs/dbraw/zinc/16/40/54/411164054.db2.gz WIQNOGSXHYJLEG-JTQLQIEISA-N 0 3 214.309 0.479 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1Cc1ccn(C)c1 ZINC000651937800 411151854 /nfs/dbraw/zinc/15/18/54/411151854.db2.gz ZWIYEMHLYASKNP-NWDGAFQWSA-N 0 3 224.304 0.607 20 0 BCADHN CO[C@H](CN1C[C@H](O)C[C@H](O)C1)C1CCC1 ZINC000659976862 411152569 /nfs/dbraw/zinc/15/25/69/411152569.db2.gz FPVUDPUPJKTVMA-GRYCIOLGSA-N 0 3 229.320 0.229 20 0 BCADHN CC[C@H](COC)NC(=O)[C@H](N)CC(C)C ZINC000070626215 411154009 /nfs/dbraw/zinc/15/40/09/411154009.db2.gz UGMBOSAERNQUJU-NXEZZACHSA-N 0 3 216.325 0.901 20 0 BCADHN CCOC[C@@H]1CCN([C@H]2CCN(CC)C2=O)C1 ZINC000659981947 411154377 /nfs/dbraw/zinc/15/43/77/411154377.db2.gz AQKFRPJSAUUBIA-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2ccccn2)C1 ZINC000651940881 411154481 /nfs/dbraw/zinc/15/44/81/411154481.db2.gz DIJJAAATUCKDFU-WAAGHKOSSA-N 0 3 205.261 0.435 20 0 BCADHN Cc1ccc(CN[C@H]2C[C@@H](C(N)=O)C2)nc1 ZINC000651939923 411155657 /nfs/dbraw/zinc/15/56/57/411155657.db2.gz VBOBYHSWKNYAMQ-JGZJWPJOSA-N 0 3 219.288 0.744 20 0 BCADHN CC[C@H](C)NC(=O)N[C@@H](CN)C(F)(F)F ZINC000655910219 411157035 /nfs/dbraw/zinc/15/70/35/411157035.db2.gz OQUCZSVEJHUKKJ-WDSKDSINSA-N 0 3 227.230 0.974 20 0 BCADHN CN(C(=O)N[C@H](CN)C(F)(F)F)C1CC1 ZINC000655916564 411158155 /nfs/dbraw/zinc/15/81/55/411158155.db2.gz DSERLAPDJJVAHZ-ZCFIWIBFSA-N 0 3 225.214 0.680 20 0 BCADHN CC1CN(C(=O)N[C@H](CN)C(F)(F)F)C1 ZINC000655929457 411158982 /nfs/dbraw/zinc/15/89/82/411158982.db2.gz SKCSUDNGLOTLJS-ZCFIWIBFSA-N 0 3 225.214 0.537 20 0 BCADHN C[C@H](CC(N)=O)N[C@H]1CCCn2nccc21 ZINC000657911301 411164638 /nfs/dbraw/zinc/16/46/38/411164638.db2.gz YOSALFFEIJBUPM-BDAKNGLRSA-N 0 3 222.292 0.572 20 0 BCADHN C[C@@H](Cn1cncn1)NCCc1cscn1 ZINC000657911442 411164663 /nfs/dbraw/zinc/16/46/63/411164663.db2.gz ZMRPKBUICUVEKO-VIFPVBQESA-N 0 3 237.332 0.955 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1Cc1ccc(O)cc1 ZINC000651950307 411160884 /nfs/dbraw/zinc/16/08/84/411160884.db2.gz PWPWGXZOHHHZPD-DGCLKSJQSA-N 0 3 237.299 0.974 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCC1(CO)CCC1 ZINC000652037943 411088905 /nfs/dbraw/zinc/08/89/05/411088905.db2.gz DADUNRJUIYKWDE-JTQLQIEISA-N 0 3 249.376 0.562 20 0 BCADHN Cc1c[nH]nc1CNCC[C@@]1(O)CCCOC1 ZINC000652040641 411089401 /nfs/dbraw/zinc/08/94/01/411089401.db2.gz ITZMHWGTYLEYES-LBPRGKRZSA-N 0 3 239.319 0.739 20 0 BCADHN O[C@]1(CCNCc2cn[nH]c2)CCCOC1 ZINC000652039517 411090366 /nfs/dbraw/zinc/09/03/66/411090366.db2.gz IDGZTCUPOQJUJW-NSHDSACASA-N 0 3 225.292 0.431 20 0 BCADHN CN1CCC[C@@H](NC[C@H](O)C(F)(F)F)C1 ZINC000300355802 411118246 /nfs/dbraw/zinc/11/82/46/411118246.db2.gz SEUSWYRJLJFQIC-SFYZADRCSA-N 0 3 226.242 0.593 20 0 BCADHN C[C@H](CO)N1CCCN(C(=O)C2CCC2)CC1 ZINC000364921573 411123089 /nfs/dbraw/zinc/12/30/89/411123089.db2.gz KEXRLOHJUMBGBC-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN O[C@]1(CN[C@@H]2CCCn3nccc32)CCOC1 ZINC000657928819 411169810 /nfs/dbraw/zinc/16/98/10/411169810.db2.gz GPRXUDBNJINWPD-PWSUYJOCSA-N 0 3 237.303 0.459 20 0 BCADHN C[C@@H]1OCCN(C[C@@H]2CNC(=O)C2)[C@H]1C ZINC000660009744 411172615 /nfs/dbraw/zinc/17/26/15/411172615.db2.gz ZXQSVXFSLIMEET-GUBZILKMSA-N 0 3 212.293 0.232 20 0 BCADHN Cc1c(CN[C@H](C)Cn2cncn2)cnn1C ZINC000657938771 411173958 /nfs/dbraw/zinc/17/39/58/411173958.db2.gz ZLBITEILNUCLBQ-SECBINFHSA-N 0 3 234.307 0.498 20 0 BCADHN O=C1N[C@@H]2CCCC[C@H]2C[C@H]1N1CC[C@H](O)C1 ZINC000659878733 411173968 /nfs/dbraw/zinc/17/39/68/411173968.db2.gz NLCOSFKUJOCHPY-NNYUYHANSA-N 0 3 238.331 0.500 20 0 BCADHN O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1N1CC[C@H](O)C1 ZINC000659878732 411174468 /nfs/dbraw/zinc/17/44/68/411174468.db2.gz NLCOSFKUJOCHPY-KXNHARMFSA-N 0 3 238.331 0.500 20 0 BCADHN CCN(CCO)CCO[C@@H]1CC1(F)F ZINC000659879158 411176310 /nfs/dbraw/zinc/17/63/10/411176310.db2.gz RKXGKUILLRAVPX-MRVPVSSYSA-N 0 3 209.236 0.725 20 0 BCADHN CC(C)n1cc(NC(=O)[C@H]2C[C@H](O)CN2)cn1 ZINC000061683545 411177130 /nfs/dbraw/zinc/17/71/30/411177130.db2.gz LXRBVJSPZXXSMC-VHSXEESVSA-N 0 3 238.291 0.125 20 0 BCADHN COCCCC(=O)N1CCNC(C)(C)C1 ZINC000148081312 411179171 /nfs/dbraw/zinc/17/91/71/411179171.db2.gz WZMMFVUAXXVFIX-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN O=C1C[C@@H](N[C@@H](CO)c2ccccc2)CCCN1 ZINC000111827021 411181404 /nfs/dbraw/zinc/18/14/04/411181404.db2.gz NEVQWXMHIWIGIF-STQMWFEESA-N 0 3 248.326 0.978 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652258550 411182175 /nfs/dbraw/zinc/18/21/75/411182175.db2.gz UBWGEWBQZQYODE-VDAHYXPESA-N 0 3 222.292 0.633 20 0 BCADHN COC[C@@H](CN[C@@H]1CCCn2nccc21)OC ZINC000657968684 411182291 /nfs/dbraw/zinc/18/22/91/411182291.db2.gz CXLDEGOEFQXUSM-GHMZBOCLSA-N 0 3 239.319 0.969 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000661697415 411184359 /nfs/dbraw/zinc/18/43/59/411184359.db2.gz COMHPDBQVBDUTG-DMDPSCGWSA-N 0 3 240.347 0.869 20 0 BCADHN c1cn(CCCN[C@@H]2CCCn3ccnc32)nn1 ZINC000655753975 411184557 /nfs/dbraw/zinc/18/45/57/411184557.db2.gz IDGGXHQQEJBUEE-LLVKDONJSA-N 0 3 246.318 0.989 20 0 BCADHN CC[C@H](C)OCC(=O)N[C@@H](CN)C(F)(F)F ZINC000655515681 411186179 /nfs/dbraw/zinc/18/61/79/411186179.db2.gz OYYLZRUTMINMIP-BQBZGAKWSA-N 0 3 242.241 0.807 20 0 BCADHN C[C@]12COC[C@@H]1CN(Cc1cn[nH]c1)C2 ZINC000661698347 411186756 /nfs/dbraw/zinc/18/67/56/411186756.db2.gz AXOWHERTPXDNRT-QWRGUYRKSA-N 0 3 207.277 0.878 20 0 BCADHN CCC(C)(C)N1CCN([C@H](C)C(N)=O)CC1 ZINC000653807882 411188676 /nfs/dbraw/zinc/18/86/76/411188676.db2.gz HYYGROYNHOFUCJ-SNVBAGLBSA-N 0 3 227.352 0.666 20 0 BCADHN OC1(CN2CC3(CC3(F)F)C2)CCOCC1 ZINC000656154728 411188672 /nfs/dbraw/zinc/18/86/72/411188672.db2.gz RPDFSTSFZLQBIQ-UHFFFAOYSA-N 0 3 233.258 0.869 20 0 BCADHN CCC(C)(C)N1CCN([C@@H]2CCNC2=O)CC1 ZINC000653809575 411188716 /nfs/dbraw/zinc/18/87/16/411188716.db2.gz DPWYEHICWWUMPE-LLVKDONJSA-N 0 3 239.363 0.681 20 0 BCADHN CCC(C)(C)N1CCN(CCOCCO)CC1 ZINC000653809032 411189021 /nfs/dbraw/zinc/18/90/21/411189021.db2.gz KSGGZCJMUZKXQB-UHFFFAOYSA-N 0 3 244.379 0.802 20 0 BCADHN CCC(C)(C)N1CCN(CCO)CC1 ZINC000653810152 411189097 /nfs/dbraw/zinc/18/90/97/411189097.db2.gz SVENETGCSXCJAZ-UHFFFAOYSA-N 0 3 200.326 0.785 20 0 BCADHN OCC(CO)NCCc1c(F)cccc1F ZINC000402007352 411189283 /nfs/dbraw/zinc/18/92/83/411189283.db2.gz JVRCVXHFOIWHRQ-UHFFFAOYSA-N 0 3 231.242 0.450 20 0 BCADHN CC1(C)CCN(C(=O)CN2CCNCC2)CC1 ZINC000061821073 411191178 /nfs/dbraw/zinc/19/11/78/411191178.db2.gz LTTDIPAHQSEBMK-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@@H](C)Cn1cncn1 ZINC000657989965 411191439 /nfs/dbraw/zinc/19/14/39/411191439.db2.gz PMYZZCYVFOAGEE-UWVGGRQHSA-N 0 3 239.323 0.123 20 0 BCADHN CCN1C[C@@H](CN[C@@H](C)c2ccncn2)CC1=O ZINC000652300929 411192291 /nfs/dbraw/zinc/19/22/91/411192291.db2.gz OOKAUHQGJBPWOO-WDEREUQCSA-N 0 3 248.330 0.996 20 0 BCADHN CC[C@H](C)CN1CCN(c2nncn2C)CC1 ZINC000653820688 411192287 /nfs/dbraw/zinc/19/22/87/411192287.db2.gz OPHTYKCDDWTIKW-NSHDSACASA-N 0 3 237.351 0.983 20 0 BCADHN COC[C@@H](CO)N[C@@H]1COC2(CCC2)C1 ZINC000658000070 411194240 /nfs/dbraw/zinc/19/42/40/411194240.db2.gz SIWVZFKEMLGUJL-VHSXEESVSA-N 0 3 215.293 0.295 20 0 BCADHN CC[C@H](COC)NC(=O)[C@H]1NCC1(C)C ZINC000310033010 411194564 /nfs/dbraw/zinc/19/45/64/411194564.db2.gz RSNRVQZMWKPFHE-RKDXNWHRSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@H](CCCO)NC(=O)[C@@H]1NCC1(C)C ZINC000310004069 411194608 /nfs/dbraw/zinc/19/46/08/411194608.db2.gz FYFYTYQIHPEQBW-BDAKNGLRSA-N 0 3 214.309 0.262 20 0 BCADHN CCN1CCN(C[C@@H](COC)OC)C[C@@H]1C ZINC000660126148 411244614 /nfs/dbraw/zinc/24/46/14/411244614.db2.gz OKGMHWNMJRCVDT-RYUDHWBXSA-N 0 3 230.352 0.674 20 0 BCADHN COCC[C@H](CO)N[C@H]1CCCn2nccc21 ZINC000658002572 411194938 /nfs/dbraw/zinc/19/49/38/411194938.db2.gz WBSBFUAZMGPVFM-MNOVXSKESA-N 0 3 239.319 0.705 20 0 BCADHN CCc1n[nH]cc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000653833888 411196502 /nfs/dbraw/zinc/19/65/02/411196502.db2.gz JMODIUCLPIQMOC-JOYOIKCWSA-N 0 3 248.330 0.748 20 0 BCADHN CC[C@H](C)NC(=O)CN1C[C@H]2COC[C@@]2(C)C1 ZINC000661701089 411196912 /nfs/dbraw/zinc/19/69/12/411196912.db2.gz YKLJVGXFFDQORG-GMXVVIOVSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)(C)OCCCN[C@@]1(C(N)=O)CCOC1 ZINC000653841351 411197622 /nfs/dbraw/zinc/19/76/22/411197622.db2.gz DWAZTNQMIMTGFQ-LBPRGKRZSA-N 0 3 244.335 0.426 20 0 BCADHN C1CC2(C1)C[C@H](NC1COCCOC1)CO2 ZINC000658021611 411199497 /nfs/dbraw/zinc/19/94/97/411199497.db2.gz UDPVWMRZWCWHJT-JTQLQIEISA-N 0 3 227.304 0.703 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@H]([C@H](C)O)C1 ZINC000246224142 411203462 /nfs/dbraw/zinc/20/34/62/411203462.db2.gz ZHGKEJKEMFFBMK-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CNC(=O)C[C@H](C)N[C@@H]1CCCn2nccc21 ZINC000658027502 411204329 /nfs/dbraw/zinc/20/43/29/411204329.db2.gz CKULVLLSVDYMDQ-VHSXEESVSA-N 0 3 236.319 0.832 20 0 BCADHN NC[C@@H](NC(=O)[C@@H]1CC12CC2)C(F)(F)F ZINC000655519248 411211149 /nfs/dbraw/zinc/21/11/49/411211149.db2.gz QTCCQHUQYNZSPY-NTSWFWBYSA-N 0 3 222.210 0.792 20 0 BCADHN C[C@@H](O)CN(CCN1CCCC1=O)C1CC1 ZINC000653896554 411212887 /nfs/dbraw/zinc/21/28/87/411212887.db2.gz UMRAZZDMYWHLCJ-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN CC(C)NC(=O)[C@@H](C)N[C@H](C)Cn1cncn1 ZINC000658037653 411213853 /nfs/dbraw/zinc/21/38/53/411213853.db2.gz YJWDAWXNZRPIDK-NXEZZACHSA-N 0 3 239.323 0.169 20 0 BCADHN CC(=O)CCC(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000309704958 411214046 /nfs/dbraw/zinc/21/40/46/411214046.db2.gz HLZGPQYGUFTVAU-WDEREUQCSA-N 0 3 226.320 0.907 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2ccnc(C)n2)C1 ZINC000048753728 411214813 /nfs/dbraw/zinc/21/48/13/411214813.db2.gz LMFNBOPKMZNDCP-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN C[C@H](O)CN(CCN1CCOCC1)C1CC1 ZINC000653898848 411215918 /nfs/dbraw/zinc/21/59/18/411215918.db2.gz RDFNJEIZMDAICR-NSHDSACASA-N 0 3 228.336 0.164 20 0 BCADHN C[C@H](O)CN(CCn1ccccc1=O)C1CC1 ZINC000653898852 411216078 /nfs/dbraw/zinc/21/60/78/411216078.db2.gz RDGQOHSPTFLRHX-NSHDSACASA-N 0 3 236.315 0.694 20 0 BCADHN C[C@@H](Cn1cncn1)NCc1ccc(CO)cc1 ZINC000658044562 411216407 /nfs/dbraw/zinc/21/64/07/411216407.db2.gz IVAPFSLZSNOBCL-NSHDSACASA-N 0 3 246.314 0.949 20 0 BCADHN C[C@@H](O)CN(CCN1CCO[C@@H](C)C1)C1CC1 ZINC000653902373 411217666 /nfs/dbraw/zinc/21/76/66/411217666.db2.gz RIIYUACJNKDDKQ-NEPJUHHUSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@H](O)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC000571906158 411218282 /nfs/dbraw/zinc/21/82/82/411218282.db2.gz WLSXERBADNCDLI-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC000571906156 411218615 /nfs/dbraw/zinc/21/86/15/411218615.db2.gz WLSXERBADNCDLI-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN COc1cccc(C[C@@H](C)N[C@H]2CCNC2=O)n1 ZINC000658052246 411220315 /nfs/dbraw/zinc/22/03/15/411220315.db2.gz ITGYBPPPZCRVNL-KOLCDFICSA-N 0 3 249.314 0.499 20 0 BCADHN COC[C@H](CC(C)C)N[C@H]1CCNC1=O ZINC000658056091 411222649 /nfs/dbraw/zinc/22/26/49/411222649.db2.gz WEBAQSDQRHSQKU-UWVGGRQHSA-N 0 3 214.309 0.526 20 0 BCADHN CO[C@](C)(CO)CN[C@H](C)c1c[nH]nc1C ZINC000655784904 411224922 /nfs/dbraw/zinc/22/49/22/411224922.db2.gz HLLPTMNGZQQABA-KCJUWKMLSA-N 0 3 227.308 0.766 20 0 BCADHN CO[C@](C)(CO)CN[C@@H](C)c1c[nH]nc1C ZINC000655784905 411224999 /nfs/dbraw/zinc/22/49/99/411224999.db2.gz HLLPTMNGZQQABA-KWQFWETISA-N 0 3 227.308 0.766 20 0 BCADHN COC[C@@H](CCN[C@H]1CCn2ccnc21)OC ZINC000658084249 411234552 /nfs/dbraw/zinc/23/45/52/411234552.db2.gz XOLYSYGZPVLLQT-MNOVXSKESA-N 0 3 239.319 0.969 20 0 BCADHN CC(C)[C@](C)(O)C(=O)NCCN1CCCC1 ZINC000352332215 411247849 /nfs/dbraw/zinc/24/78/49/411247849.db2.gz YQVSIPNOPAWPNS-LBPRGKRZSA-N 0 3 228.336 0.605 20 0 BCADHN COCCCN(CCO)Cc1ccc(N)nc1 ZINC000647538431 411239066 /nfs/dbraw/zinc/23/90/66/411239066.db2.gz RPNBDLSJKKWZBY-UHFFFAOYSA-N 0 3 239.319 0.495 20 0 BCADHN CN(C(=O)C1(N)CC2(CCC2)C1)[C@H]1CCOC1 ZINC000659255687 411240716 /nfs/dbraw/zinc/24/07/16/411240716.db2.gz FLCNJKYDZMIYQG-JTQLQIEISA-N 0 3 238.331 0.895 20 0 BCADHN NC1(C(=O)Nc2cc(CC3CC3)[nH]n2)CCCC1 ZINC000639020263 411167355 /nfs/dbraw/zinc/16/73/55/411167355.db2.gz MUFKOMKKNDVPKO-UHFFFAOYSA-N 0 3 248.330 1.572 20 0 BCADHN OC/C=C\CN[C@H]1CCCn2nccc21 ZINC000658138702 411263296 /nfs/dbraw/zinc/26/32/96/411263296.db2.gz OLUAKJLZPMSXAB-SYBPUXJVSA-N 0 3 207.277 0.856 20 0 BCADHN O=C1CCCN1[C@H]1CCN(CCc2cn[nH]n2)C1 ZINC000660147992 411263920 /nfs/dbraw/zinc/26/39/20/411263920.db2.gz KECIORWCSZTPDQ-NSHDSACASA-N 0 3 249.318 0.044 20 0 BCADHN O=C1CCCN1[C@H]1CCN(CCc2c[nH]nn2)C1 ZINC000660147992 411263921 /nfs/dbraw/zinc/26/39/21/411263921.db2.gz KECIORWCSZTPDQ-NSHDSACASA-N 0 3 249.318 0.044 20 0 BCADHN Nc1ccc(CN2CCC[C@@H](CO)C2)cn1 ZINC000050791776 411264090 /nfs/dbraw/zinc/26/40/90/411264090.db2.gz QEASHWZTFWYRCN-LLVKDONJSA-N 0 3 221.304 0.868 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2ccc(N)nc2)C1 ZINC000050708068 411264867 /nfs/dbraw/zinc/26/48/67/411264867.db2.gz KHEBIOBEDQGQKY-JTQLQIEISA-N 0 3 248.330 0.735 20 0 BCADHN CCC[C@H](N)c1cn(-c2ccnn2C)nn1 ZINC000656456444 411265181 /nfs/dbraw/zinc/26/51/81/411265181.db2.gz CDVRJMZMZLMRLA-QMMMGPOBSA-N 0 3 220.280 0.801 20 0 BCADHN CCC[C@@H](N)c1cn(-c2ccnn2C)nn1 ZINC000656456442 411265202 /nfs/dbraw/zinc/26/52/02/411265202.db2.gz CDVRJMZMZLMRLA-MRVPVSSYSA-N 0 3 220.280 0.801 20 0 BCADHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(N)nc1 ZINC000050815290 411266340 /nfs/dbraw/zinc/26/63/40/411266340.db2.gz LORSSGYHEFQCLG-ONGXEEELSA-N 0 3 248.330 0.750 20 0 BCADHN CCC[C@H](N)c1cn(-c2cnnn2C)nn1 ZINC000656463316 411270549 /nfs/dbraw/zinc/27/05/49/411270549.db2.gz MNVSQUKOJPSKKZ-ZETCQYMHSA-N 0 3 221.268 0.196 20 0 BCADHN CN(Cc1ncc[nH]1)C(=O)C1(N)CCCC1 ZINC000070645714 411271727 /nfs/dbraw/zinc/27/17/27/411271727.db2.gz GURDBNGRPCPGIB-UHFFFAOYSA-N 0 3 222.292 0.640 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)Cc1ncc[nH]1 ZINC000070645750 411271795 /nfs/dbraw/zinc/27/17/95/411271795.db2.gz JWGVMHOGCIKBKV-LLVKDONJSA-N 0 3 224.308 0.886 20 0 BCADHN Cc1cc(-n2cc([C@H](N)C(C)C)nn2)n(C)n1 ZINC000656465717 411278013 /nfs/dbraw/zinc/27/80/13/411278013.db2.gz HPPXUJMSMJPNCN-LLVKDONJSA-N 0 3 234.307 0.965 20 0 BCADHN Cn1[nH]cnc1=NCCN1CCCCC1 ZINC000653462669 411279328 /nfs/dbraw/zinc/27/93/28/411279328.db2.gz GSXGPDNEYXEYBR-UHFFFAOYSA-N 0 3 209.297 0.135 20 0 BCADHN CCC[C@@H](N)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000656467352 411279785 /nfs/dbraw/zinc/27/97/85/411279785.db2.gz PUNGGNPQBCUZMG-FBIMIBRVSA-N 0 3 240.307 0.664 20 0 BCADHN CCC1(Cn2cc(C(C)(C)N)nn2)COC1 ZINC000656467538 411279877 /nfs/dbraw/zinc/27/98/77/411279877.db2.gz PIXFKCXZFDBQIP-UHFFFAOYSA-N 0 3 224.308 0.899 20 0 BCADHN Cn1cnnc1N1CCN(C2CCCC2)CC1 ZINC000653462740 411280129 /nfs/dbraw/zinc/28/01/29/411280129.db2.gz KGOPTBSBKGVUEE-UHFFFAOYSA-N 0 3 235.335 0.880 20 0 BCADHN CCCc1nccn1C[C@@H]1CNCCO1 ZINC000070649675 411283086 /nfs/dbraw/zinc/28/30/86/411283086.db2.gz WDYIFFHHXLAKTD-JTQLQIEISA-N 0 3 209.293 0.824 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCc1ccoc1 ZINC000658201384 411291056 /nfs/dbraw/zinc/29/10/56/411291056.db2.gz QGPJULGXOKPBHY-VIFPVBQESA-N 0 3 231.317 0.845 20 0 BCADHN CC(C)N(C)C[C@@H](C)N=c1nc[nH]n1C ZINC000653470086 411291855 /nfs/dbraw/zinc/29/18/55/411291855.db2.gz UHOZHMUWKYMFGR-SECBINFHSA-N 0 3 211.313 0.378 20 0 BCADHN Cn1[nH]cnc1=NC[C@@H]1N(C)CCCC1(C)C ZINC000653470640 411293027 /nfs/dbraw/zinc/29/30/27/411293027.db2.gz KAEJEMPNMKMKFI-JTQLQIEISA-N 0 3 237.351 0.769 20 0 BCADHN CCN(C(=O)NCCCOC)[C@@H]1CCN(C)C1 ZINC000656540772 411293796 /nfs/dbraw/zinc/29/37/96/411293796.db2.gz RCXAZGBMEAZHBT-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN CCN(C(=O)NCCOC)[C@@H]1CCN(C)C1 ZINC000656541040 411294168 /nfs/dbraw/zinc/29/41/68/411294168.db2.gz VFEWDNYUNRPKCN-SNVBAGLBSA-N 0 3 229.324 0.368 20 0 BCADHN C[C@@H]1CSCCN1C(=O)[C@@H]1NCC1(C)C ZINC000309851047 411295285 /nfs/dbraw/zinc/29/52/85/411295285.db2.gz XTAFZNMTLNROMD-BDAKNGLRSA-N 0 3 228.361 0.948 20 0 BCADHN COC[C@@H](CN1CCN(CC(C)C)CC1)OC ZINC000659811764 411298826 /nfs/dbraw/zinc/29/88/26/411298826.db2.gz UXKBUJLNFDDNAB-CYBMUJFWSA-N 0 3 244.379 0.921 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ncccc1C ZINC000070909543 411299099 /nfs/dbraw/zinc/29/90/99/411299099.db2.gz NLMZIEWIECXCSU-VIFPVBQESA-N 0 3 207.277 0.614 20 0 BCADHN NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000656543335 411299425 /nfs/dbraw/zinc/29/94/25/411299425.db2.gz PROJJFMPIZIMLR-LBPRGKRZSA-N 0 3 249.314 0.422 20 0 BCADHN CCOCCNC(=O)CN[C@@H]1CCC1(C)C ZINC000653743540 411299993 /nfs/dbraw/zinc/29/99/93/411299993.db2.gz NYQMEVYLRLNVBM-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN CN(CCNC(=O)NC[C@H]1C[C@@H](O)C1)C1CC1 ZINC000636778204 411300585 /nfs/dbraw/zinc/30/05/85/411300585.db2.gz ZNJJOAVUIOHLFL-JGZJWPJOSA-N 0 3 241.335 0.151 20 0 BCADHN CO[C@H](CN(CC(N)=O)C(C)C)[C@H]1CCOC1 ZINC000659822439 411305499 /nfs/dbraw/zinc/30/54/99/411305499.db2.gz NOXBWHLWYDUCAW-WDEREUQCSA-N 0 3 244.335 0.234 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)Cc1nc(C)no1 ZINC000655527488 411306821 /nfs/dbraw/zinc/30/68/21/411306821.db2.gz UMMBNIHTUBSWEY-NSHDSACASA-N 0 3 240.307 0.854 20 0 BCADHN Cc1noc(CN(C)C(=O)[C@H]2CCCCN2)n1 ZINC000655527149 411307350 /nfs/dbraw/zinc/30/73/50/411307350.db2.gz JGZMTRSFTODLLZ-SECBINFHSA-N 0 3 238.291 0.479 20 0 BCADHN CCN1CCN(C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000659826673 411308857 /nfs/dbraw/zinc/30/88/57/411308857.db2.gz KAEKPMDILVMPQO-QWHCGFSZSA-N 0 3 242.363 0.675 20 0 BCADHN Cc1cc(NC(=O)NC(C)(C)CN(C)C)no1 ZINC000454184046 411331348 /nfs/dbraw/zinc/33/13/48/411331348.db2.gz PYPHZYPOSWNLDQ-UHFFFAOYSA-N 0 3 240.307 1.445 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@@H]1[C@@H](C)O ZINC000661774502 411310246 /nfs/dbraw/zinc/31/02/46/411310246.db2.gz ZBDBPTFEKFDZKM-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN c1nc(-c2ccccn2)nn1C[C@H]1CNCCO1 ZINC000656611652 411310476 /nfs/dbraw/zinc/31/04/76/411310476.db2.gz NCQZUJDATRXCBL-SNVBAGLBSA-N 0 3 245.286 0.329 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@@H]1[C@H](C)O ZINC000661774503 411310815 /nfs/dbraw/zinc/31/08/15/411310815.db2.gz ZBDBPTFEKFDZKM-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN CO[C@H](CN1CCN(CCO)CC1)C1CCC1 ZINC000659828309 411310997 /nfs/dbraw/zinc/31/09/97/411310997.db2.gz GAOHECOFPMNKLW-CYBMUJFWSA-N 0 3 242.363 0.411 20 0 BCADHN NC(=O)C1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000659829092 411311447 /nfs/dbraw/zinc/31/14/47/411311447.db2.gz LTPKEJOMIXZQCC-SECBINFHSA-N 0 3 248.273 0.608 20 0 BCADHN CN(CCNC(=O)[C@H]1C[C@@H]1c1nnc[nH]1)C1CC1 ZINC000371575426 411331923 /nfs/dbraw/zinc/33/19/23/411331923.db2.gz PCMDRXFKBUBQOF-UWVGGRQHSA-N 0 3 249.318 0.119 20 0 BCADHN CN(C)CC(C)(C)NC(=O)Nc1ccon1 ZINC000455067757 411332177 /nfs/dbraw/zinc/33/21/77/411332177.db2.gz YOQSCEDWYVJGOV-UHFFFAOYSA-N 0 3 226.280 1.136 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C(=O)NCCN(C)C1CC1 ZINC000655532409 411318530 /nfs/dbraw/zinc/31/85/30/411318530.db2.gz LVYMWSLWQISLHN-MWLCHTKSSA-N 0 3 241.335 0.245 20 0 BCADHN CC[C@H](N[C@H](COC)C1CCOCC1)C(N)=O ZINC000656677728 411323319 /nfs/dbraw/zinc/32/33/19/411323319.db2.gz HTOUCKQMCWICRD-WDEREUQCSA-N 0 3 244.335 0.282 20 0 BCADHN COC[C@@H]1CCN1C[C@]1(O)CCCOC1 ZINC000656700102 411324543 /nfs/dbraw/zinc/32/45/43/411324543.db2.gz KYXISAHWIKMSKU-WDEREUQCSA-N 0 3 215.293 0.249 20 0 BCADHN CC[C@H](COC)NCC1(S(=O)(=O)CC)CC1 ZINC000658298273 411325673 /nfs/dbraw/zinc/32/56/73/411325673.db2.gz FMXCMLWUFHCKJQ-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN N[C@@H](CNC(=O)Cn1cncn1)c1ccccc1 ZINC000062838208 411325831 /nfs/dbraw/zinc/32/58/31/411325831.db2.gz ZTUUIANHWUISBI-NSHDSACASA-N 0 3 245.286 0.094 20 0 BCADHN CN(C1CC1)S(=O)(=O)N1CCNC(C)(C)C1 ZINC000658402667 411326015 /nfs/dbraw/zinc/32/60/15/411326015.db2.gz XHBLWMATGZDPQG-UHFFFAOYSA-N 0 3 247.364 0.009 20 0 BCADHN O=C(CN1CCCCC[C@H]1CO)NC1CC1 ZINC000124852211 411326187 /nfs/dbraw/zinc/32/61/87/411326187.db2.gz UNTWYAJBFDLNBT-NSHDSACASA-N 0 3 226.320 0.502 20 0 BCADHN NS(=O)(=O)[C@H]1CCN(CCC2CCC2)C1 ZINC000660128168 411249327 /nfs/dbraw/zinc/24/93/27/411249327.db2.gz KXWOPPNTFNNZFG-JTQLQIEISA-N 0 3 232.349 0.539 20 0 BCADHN CCN1CC[C@H](N(C)C[C@H]2CCC[C@@H]2O)C1=O ZINC000660127871 411249435 /nfs/dbraw/zinc/24/94/35/411249435.db2.gz IJHNDGPSRJSDJN-WOPDTQHZSA-N 0 3 240.347 0.700 20 0 BCADHN CCN1CC[C@H](N(C)C[C@@H]2CCC[C@H]2O)C1=O ZINC000660127868 411249578 /nfs/dbraw/zinc/24/95/78/411249578.db2.gz IJHNDGPSRJSDJN-SDDRHHMPSA-N 0 3 240.347 0.700 20 0 BCADHN O=C(NCCO)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000653950727 411250284 /nfs/dbraw/zinc/25/02/84/411250284.db2.gz SUMUZABPLRQFPH-QWRGUYRKSA-N 0 3 241.335 0.295 20 0 BCADHN C[C@]12COC[C@H]1CN(CCn1ccccc1=O)C2 ZINC000661707209 411250762 /nfs/dbraw/zinc/25/07/62/411250762.db2.gz RASHUMGUQIAPFA-OCCSQVGLSA-N 0 3 248.326 0.817 20 0 BCADHN CCS(=O)(=O)C1(CN[C@@H]2CCCOC2)CC1 ZINC000658299116 411326369 /nfs/dbraw/zinc/32/63/69/411326369.db2.gz MVORBFDSKXQZGQ-SNVBAGLBSA-N 0 3 247.360 0.722 20 0 BCADHN COCCn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000656443805 411252540 /nfs/dbraw/zinc/25/25/40/411252540.db2.gz DKWKSEDAIOTCCD-SECBINFHSA-N 0 3 212.297 0.970 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC/C=C/CO ZINC000658132835 411256421 /nfs/dbraw/zinc/25/64/21/411256421.db2.gz IZMAFPIDZBGBMH-XNPJLODASA-N 0 3 209.293 0.928 20 0 BCADHN CN(C)CCc1cn(-c2cccc(CO)c2)nn1 ZINC000656440238 411258018 /nfs/dbraw/zinc/25/80/18/411258018.db2.gz DAZIZGICWVEQCC-UHFFFAOYSA-N 0 3 246.314 0.864 20 0 BCADHN N[C@H](c1cn(-c2ccncc2)nn1)[C@H]1CCCO1 ZINC000656440779 411258945 /nfs/dbraw/zinc/25/89/45/411258945.db2.gz NJRMFKHZVRSSKI-VXGBXAGGSA-N 0 3 245.286 0.841 20 0 BCADHN CCNCc1cn(-c2ccncc2)nn1 ZINC000656440707 411259136 /nfs/dbraw/zinc/25/91/36/411259136.db2.gz LUCTUBOUCQFDAG-UHFFFAOYSA-N 0 3 203.249 0.772 20 0 BCADHN C[C@@H]1CN(Cc2ccnc(N)c2)C[C@@H]1CO ZINC000348108783 411259176 /nfs/dbraw/zinc/25/91/76/411259176.db2.gz UEQQDSABBSRJKL-MWLCHTKSSA-N 0 3 221.304 0.724 20 0 BCADHN CC(C)(N)c1cn(-c2ccc(CO)cc2)nn1 ZINC000656440944 411259845 /nfs/dbraw/zinc/25/98/45/411259845.db2.gz QNVANWILWXBYIW-UHFFFAOYSA-N 0 3 232.287 0.953 20 0 BCADHN C[C@@H]1CN(Cc2ccnc(N)c2)C[C@H]1O ZINC000336697877 411259898 /nfs/dbraw/zinc/25/98/98/411259898.db2.gz OLEFPPQLJWFEPP-PSASIEDQSA-N 0 3 207.277 0.476 20 0 BCADHN CS(=O)(=O)[C@H]1CCCC[C@@H]1N[C@H]1C[C@H](O)C1 ZINC000658348567 411350004 /nfs/dbraw/zinc/35/00/04/411350004.db2.gz CBUUHSDAMBJCPZ-NAKRPEOUSA-N 0 3 247.360 0.455 20 0 BCADHN CC1(C)COCCN1C[C@H]1CNC(=O)C1 ZINC000659858447 411350021 /nfs/dbraw/zinc/35/00/21/411350021.db2.gz SWSGYPOALMCDHH-SECBINFHSA-N 0 3 212.293 0.233 20 0 BCADHN CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000658406098 411350255 /nfs/dbraw/zinc/35/02/55/411350255.db2.gz 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BCADHN CC1CCN(CCNC(=O)C2(C)COC2)CC1 ZINC000360513013 168181473 /nfs/dbraw/zinc/18/14/73/168181473.db2.gz VKWYYQQDTDHIFM-UHFFFAOYSA-N 0 3 240.347 0.871 20 0 BCADHN CC1CCN(CCNC(=O)NCCCO)CC1 ZINC000071912727 168181517 /nfs/dbraw/zinc/18/15/17/168181517.db2.gz XXGHEZCIFODAOE-UHFFFAOYSA-N 0 3 243.351 0.400 20 0 BCADHN Cc1cncc(CCNC(=O)[C@@H]2NCC2(C)C)n1 ZINC000659373284 411387905 /nfs/dbraw/zinc/38/79/05/411387905.db2.gz QBZGGAKBIRRWAH-NSHDSACASA-N 0 3 248.330 0.442 20 0 BCADHN CC1CCN(S(=O)(=O)[C@@H]2CCCNC2)CC1 ZINC000019428783 168184669 /nfs/dbraw/zinc/18/46/69/168184669.db2.gz XXWQJQLZGQEPPT-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN C[C@H](CNC(=O)CN)N1CCC(C)CC1 ZINC000236626880 168186481 /nfs/dbraw/zinc/18/64/81/168186481.db2.gz LCQLJNDZTMJRIA-SNVBAGLBSA-N 0 3 213.325 0.182 20 0 BCADHN CN(CCN1CCCCC1)C(=O)c1cn[nH]n1 ZINC000652988317 411388524 /nfs/dbraw/zinc/38/85/24/411388524.db2.gz UPNUWIGDAOXFMX-UHFFFAOYSA-N 0 3 237.307 0.363 20 0 BCADHN CN(CCN1CCCCC1)C(=O)c1cc[nH]n1 ZINC000652988332 411388761 /nfs/dbraw/zinc/38/87/61/411388761.db2.gz VBVXHFOYKLXPMN-UHFFFAOYSA-N 0 3 236.319 0.968 20 0 BCADHN CN(CCN1CCCCC1)C(=O)c1ccn[nH]1 ZINC000652988332 411388764 /nfs/dbraw/zinc/38/87/64/411388764.db2.gz VBVXHFOYKLXPMN-UHFFFAOYSA-N 0 3 236.319 0.968 20 0 BCADHN CO[C@H](C)C(=O)N(C)CCN1CCCCC1 ZINC000652989147 411389247 /nfs/dbraw/zinc/38/92/47/411389247.db2.gz YKUNKCBEIVWUAU-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCC(=O)CNC(=O)[C@@H]1CN(C)C[C@@H]1C ZINC000362995976 168205781 /nfs/dbraw/zinc/20/57/81/168205781.db2.gz GMLIKIQLYXDCOK-WCBMZHEXSA-N 0 3 212.293 0.279 20 0 BCADHN CCC(=O)CNC(=O)[C@@H]1CN(C)C[C@H]1C ZINC000362995974 168206904 /nfs/dbraw/zinc/20/69/04/168206904.db2.gz GMLIKIQLYXDCOK-PSASIEDQSA-N 0 3 212.293 0.279 20 0 BCADHN CCC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000363656922 168221774 /nfs/dbraw/zinc/22/17/74/168221774.db2.gz RIFZPXYQSRQWNK-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CCC(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC000330694808 168222446 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/nfs/dbraw/zinc/40/61/78/411406178.db2.gz XZUMUDCCNXTLBB-SECBINFHSA-N 0 3 218.260 0.608 20 0 BCADHN Cc1ncccc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659390031 411411130 /nfs/dbraw/zinc/41/11/30/411411130.db2.gz VCMGUKSGHLFPOL-GHMZBOCLSA-N 0 3 237.278 0.901 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)C1CC1 ZINC000659391166 411411511 /nfs/dbraw/zinc/41/15/11/411411511.db2.gz OQQPKWLVONODSO-FXBDTBDDSA-N 0 3 214.284 0.930 20 0 BCADHN CC(C)CO[C@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659390428 411412069 /nfs/dbraw/zinc/41/20/69/411412069.db2.gz INSYPYKCMLVTNX-GMTAPVOTSA-N 0 3 246.326 0.945 20 0 BCADHN CCC[C@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126057068 411414487 /nfs/dbraw/zinc/41/44/87/411414487.db2.gz WJZRNGKAZGYKGE-ONGXEEELSA-N 0 3 243.351 0.391 20 0 BCADHN N[C@@H]1CN(C(=O)N[C@@H]2CCCOC2)CC[C@H]1F ZINC000659450369 411416636 /nfs/dbraw/zinc/41/66/36/411416636.db2.gz NFZYAMAFNOUFQP-OPRDCNLKSA-N 0 3 245.298 0.246 20 0 BCADHN COC[C@H](C)CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659459315 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/nfs/dbraw/zinc/42/69/25/411426925.db2.gz XWPKPAHBEOSWCE-UHFFFAOYSA-N 0 3 238.335 0.348 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCCN1CCCC1=O ZINC000405407286 411427732 /nfs/dbraw/zinc/42/77/32/411427732.db2.gz JYZVXAHABFQMLP-SNVBAGLBSA-N 0 3 241.335 0.098 20 0 BCADHN CN(CCc1cnccn1)C(=O)[C@@H]1CCCN1C ZINC000271290398 411429628 /nfs/dbraw/zinc/42/96/28/411429628.db2.gz DYASFWWDVGZXIT-LBPRGKRZSA-N 0 3 248.330 0.572 20 0 BCADHN C[C@@](N)(C(=O)NCc1nc[nH]n1)c1ccccc1 ZINC000052882360 411430652 /nfs/dbraw/zinc/43/06/52/411430652.db2.gz AELUWGMGNGREAT-LBPRGKRZSA-N 0 3 245.286 0.295 20 0 BCADHN C[C@@]([NH3+])(C(=O)NCc1nnc[n-]1)c1ccccc1 ZINC000052882360 411430654 /nfs/dbraw/zinc/43/06/54/411430654.db2.gz AELUWGMGNGREAT-LBPRGKRZSA-N 0 3 245.286 0.295 20 0 BCADHN C[C@@](N)(C(=O)NCc1nnc[nH]1)c1ccccc1 ZINC000052882360 411430655 /nfs/dbraw/zinc/43/06/55/411430655.db2.gz AELUWGMGNGREAT-LBPRGKRZSA-N 0 3 245.286 0.295 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)c1ccn(CCN(C)C)n1 ZINC000654701670 411433215 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SRTIWPXSFDVXAD-UHFFFAOYSA-N 0 3 231.303 0.816 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N[C@H]1CCSC1 ZINC000306535707 411451701 /nfs/dbraw/zinc/45/17/01/411451701.db2.gz MBMPXLHLOGGYAD-YUMQZZPRSA-N 0 3 214.334 0.606 20 0 BCADHN CCCNC(=O)CN[C@@H]1CO[C@H](CC)C1 ZINC000657292805 411452851 /nfs/dbraw/zinc/45/28/51/411452851.db2.gz UANIMXXATDSBKK-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN CO[C@H](CN(CC(N)=O)C(C)C)C1CCC1 ZINC000659821610 411464318 /nfs/dbraw/zinc/46/43/18/411464318.db2.gz GPMPZOCPAMMUAZ-LLVKDONJSA-N 0 3 228.336 0.997 20 0 BCADHN O=C(Cn1cccn1)NC1CCN(C2CC2)CC1 ZINC000127044544 411467495 /nfs/dbraw/zinc/46/74/95/411467495.db2.gz XEOVZEJELMMWQF-UHFFFAOYSA-N 0 3 248.330 0.626 20 0 BCADHN COC[C@H](CN1CCC(O)CC1)OC ZINC000659834302 411467726 /nfs/dbraw/zinc/46/77/26/411467726.db2.gz UBSFFRXMHPQTIL-JTQLQIEISA-N 0 3 203.282 0.105 20 0 BCADHN CC(C)[C@@H](O)CN(C)CCn1cccn1 ZINC000292707031 411470841 /nfs/dbraw/zinc/47/08/41/411470841.db2.gz SYTZSUWFVJUHJL-NSHDSACASA-N 0 3 211.309 0.832 20 0 BCADHN 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411476611 /nfs/dbraw/zinc/47/66/11/411476611.db2.gz DHVBVIZWUNAHOY-SFYZADRCSA-N 0 3 214.334 0.878 20 0 BCADHN O=C1NCCC[C@@H]1NCc1ccc2c[nH]nc2c1 ZINC000295061005 411476684 /nfs/dbraw/zinc/47/66/84/411476684.db2.gz OGCHZGJVNFBRLN-NSHDSACASA-N 0 3 244.298 0.931 20 0 BCADHN C[C@@H]1SCC[C@@H]1NC(=O)C1(N)CCC1 ZINC000307523963 411476983 /nfs/dbraw/zinc/47/69/83/411476983.db2.gz DHVBVIZWUNAHOY-YUMQZZPRSA-N 0 3 214.334 0.878 20 0 BCADHN Cc1cc(=NC(=O)[C@@H]2CC[C@@H](C3CC3)N2)[nH][nH]1 ZINC000407318931 411479222 /nfs/dbraw/zinc/47/92/22/411479222.db2.gz VEKVNDFXHDJTJK-UWVGGRQHSA-N 0 3 234.303 0.609 20 0 BCADHN NC(=O)CC1(CNCc2cn[nH]c2)CC1 ZINC000657494175 411533212 /nfs/dbraw/zinc/53/32/12/411533212.db2.gz MIHLUFHASYENQI-UHFFFAOYSA-N 0 3 208.265 0.155 20 0 BCADHN CC[C@@H]1C[C@H](NCCCS(=O)(=O)CC)CO1 ZINC000657494458 411533223 /nfs/dbraw/zinc/53/32/23/411533223.db2.gz BDMRKVKGRGWWQW-WDEREUQCSA-N 0 3 249.376 0.968 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)N(C)Cc2ncc[nH]2)C1 ZINC000127290754 411482925 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BCADHN COC[C@H](C)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000657636896 411567679 /nfs/dbraw/zinc/56/76/79/411567679.db2.gz FTGYNNNYMKFKCQ-AEJSXWLSSA-N 0 3 235.349 0.577 20 0 BCADHN CCOC(=O)COCCN1CC[C@@H](CO)[C@H]1C ZINC000352341933 170227782 /nfs/dbraw/zinc/22/77/82/170227782.db2.gz LZVBAQSUVGSUSE-MNOVXSKESA-N 0 3 245.319 0.269 20 0 BCADHN CCOC(=O)COCCN1C[C@H](O)C[C@@H]1C ZINC000351653941 170227796 /nfs/dbraw/zinc/22/77/96/170227796.db2.gz XPSDLCVUNVYLMO-VHSXEESVSA-N 0 3 231.292 0.021 20 0 BCADHN CCOC(=O)COCCN1C[C@@H](O)C[C@H]1C ZINC000351653942 170227984 /nfs/dbraw/zinc/22/79/84/170227984.db2.gz XPSDLCVUNVYLMO-ZJUUUORDSA-N 0 3 231.292 0.021 20 0 BCADHN CCCCCN(CC(N)=O)C[C@@H]1CNC(=O)C1 ZINC000660233943 411556727 /nfs/dbraw/zinc/55/67/27/411556727.db2.gz RWGNGQIQCUQNSR-JTQLQIEISA-N 0 3 241.335 0.100 20 0 BCADHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1CCO ZINC000372287643 170231684 /nfs/dbraw/zinc/23/16/84/170231684.db2.gz HEPPGFAAQBXJJK-UWVGGRQHSA-N 0 3 231.292 0.021 20 0 BCADHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C[C@H](C)O ZINC000337206230 170232219 /nfs/dbraw/zinc/23/22/19/170232219.db2.gz MCIMUUBKMXBIFM-GARJFASQSA-N 0 3 245.319 0.410 20 0 BCADHN CC(C)(C)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000556850936 322928909 /nfs/dbraw/zinc/92/89/09/322928909.db2.gz ONOHJHQMFDHRGE-CYBMUJFWSA-N 0 3 240.347 0.605 20 0 BCADHN COC[C@H](CN[C@H](CO)c1ccccc1)OC ZINC000660235242 411557045 /nfs/dbraw/zinc/55/70/45/411557045.db2.gz FCMMZEMTVGLTKN-QWHCGFSZSA-N 0 3 239.315 0.971 20 0 BCADHN CO[C@H](CN(C)[C@]1(CO)CCOC1)C1CCC1 ZINC000660235510 411557108 /nfs/dbraw/zinc/55/71/08/411557108.db2.gz GMXNSSFFNUZFHP-OLZOCXBDSA-N 0 3 243.347 0.885 20 0 BCADHN CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000037820769 170243426 /nfs/dbraw/zinc/24/34/26/170243426.db2.gz XEFYVYQZUSLBCS-DTWKUNHWSA-N 0 3 243.307 0.071 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H](C)CC(C)C ZINC000657601630 411558415 /nfs/dbraw/zinc/55/84/15/411558415.db2.gz HQTBWUQVDOXCLF-OUAUKWLOSA-N 0 3 249.376 0.823 20 0 BCADHN CCN1OC[C@@H](N[C@H](CCO)C(C)C)C1=O ZINC000660252750 411560010 /nfs/dbraw/zinc/56/00/10/411560010.db2.gz XMBSMXCVPUZRIL-NXEZZACHSA-N 0 3 230.308 0.145 20 0 BCADHN COc1ccc(CNC/C=C\CO)cn1 ZINC000657594196 411560113 /nfs/dbraw/zinc/56/01/13/411560113.db2.gz NUDCHGUZWFNDGU-IHWYPQMZSA-N 0 3 208.261 0.728 20 0 BCADHN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COC)C1 ZINC000125868212 170257757 /nfs/dbraw/zinc/25/77/57/170257757.db2.gz NHBANGMTQVHPTB-GHMZBOCLSA-N 0 3 245.319 0.269 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CCC12CCC2 ZINC000354868471 170261291 /nfs/dbraw/zinc/26/12/91/170261291.db2.gz ZTMYMVUYQUIXDA-NSHDSACASA-N 0 3 227.304 0.929 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN(C)[C@@H]1CCOC1 ZINC000331062107 170261667 /nfs/dbraw/zinc/26/16/67/170261667.db2.gz OSCWWYNUNULHPT-KOLCDFICSA-N 0 3 231.292 0.021 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN(CC)[C@@H]1CCOC1 ZINC000361584842 170261741 /nfs/dbraw/zinc/26/17/41/170261741.db2.gz AHHCGOKFKMMERV-PWSUYJOCSA-N 0 3 245.319 0.411 20 0 BCADHN CCOC(=O)[C@@]1(COC)CCCN(CCO)C1 ZINC000374075294 170263619 /nfs/dbraw/zinc/26/36/19/170263619.db2.gz RVOVQFQDLYHIJO-LBPRGKRZSA-N 0 3 245.319 0.270 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000236960673 170264156 /nfs/dbraw/zinc/26/41/56/170264156.db2.gz BAEARDYEJDKZTN-RKDXNWHRSA-N 0 3 244.335 0.675 20 0 BCADHN CCC[C@H](C)CN[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000657606600 411561359 /nfs/dbraw/zinc/56/13/59/411561359.db2.gz VOSDAUSZLVOJOA-DCAQKATOSA-N 0 3 249.376 0.824 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NCC1(C)CC1 ZINC000657607265 411561413 /nfs/dbraw/zinc/56/14/13/411561413.db2.gz YGAFQXVMWBZKQX-RKDXNWHRSA-N 0 3 233.333 0.188 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)N(C)C ZINC000336775338 170269893 /nfs/dbraw/zinc/26/98/93/170269893.db2.gz YTEZIWVQDUNLKQ-RKDXNWHRSA-N 0 3 230.308 0.252 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)N1CCC1 ZINC000338301937 170269933 /nfs/dbraw/zinc/26/99/33/170269933.db2.gz JBJOGYBERORNEN-NXEZZACHSA-N 0 3 242.319 0.396 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)C(N)=O ZINC000309061491 170270622 /nfs/dbraw/zinc/27/06/22/170270622.db2.gz WWXVQHINUWOERT-GJMOJQLCSA-N 0 3 216.281 0.038 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)NCc1n[nH]c(C)n1 ZINC000293139227 170270645 /nfs/dbraw/zinc/27/06/45/170270645.db2.gz LRRKAFYVNGIALL-SFYZADRCSA-N 0 3 240.307 0.790 20 0 BCADHN CCn1nncc1CN[C@H](C)C1(CO)CC1 ZINC000657607722 411562128 /nfs/dbraw/zinc/56/21/28/411562128.db2.gz MSZQBDMMRQCSOL-SECBINFHSA-N 0 3 224.308 0.549 20 0 BCADHN CCN1CC[C@H](N[C@@H](C)[C@@H](C)CO)C1=O ZINC000660270335 411562980 /nfs/dbraw/zinc/56/29/80/411562980.db2.gz TXQAAKJHLVOZFE-GUBZILKMSA-N 0 3 214.309 0.214 20 0 BCADHN CCOC(=O)[C@H]1CCCN(CCC(=O)OC)C1 ZINC000046438082 170280226 /nfs/dbraw/zinc/28/02/26/170280226.db2.gz KHXJAIMUMLEWSS-JTQLQIEISA-N 0 3 243.303 0.825 20 0 BCADHN Cc1n[nH]cc1CN[C@H](C)C1(CO)CC1 ZINC000657602969 411563460 /nfs/dbraw/zinc/56/34/60/411563460.db2.gz MIZUOYIAVYKMSL-SECBINFHSA-N 0 3 209.293 0.969 20 0 BCADHN C[C@@H](NCc1cnn(C)c1)C1(CO)CC1 ZINC000657604075 411563886 /nfs/dbraw/zinc/56/38/86/411563886.db2.gz TXHYUUNGENPNJG-SECBINFHSA-N 0 3 209.293 0.671 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CC[C@@H](OC)C1 ZINC000354861306 170284576 /nfs/dbraw/zinc/28/45/76/170284576.db2.gz WINSKJWYGRFTEL-MWLCHTKSSA-N 0 3 231.292 0.021 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CC[C@@H](C)[C@@H](O)C1 ZINC000331055312 170285026 /nfs/dbraw/zinc/28/50/26/170285026.db2.gz KRLYZQFKCKEFES-JFGNBEQYSA-N 0 3 245.319 0.003 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CC[C@@H](C)[C@H](O)C1 ZINC000331055306 170285032 /nfs/dbraw/zinc/28/50/32/170285032.db2.gz KRLYZQFKCKEFES-CKYFFXLPSA-N 0 3 245.319 0.003 20 0 BCADHN COC[C@H](CN1CCCC[C@]1(C)C(N)=O)OC ZINC000660276121 411563970 /nfs/dbraw/zinc/56/39/70/411563970.db2.gz NBYXMVBVYFQZMY-CMPLNLGQSA-N 0 3 244.335 0.378 20 0 BCADHN CN(CCO[C@H]1CC1(F)F)C1CC(O)C1 ZINC000660279360 411564714 /nfs/dbraw/zinc/56/47/14/411564714.db2.gz VOERQYCYJBTEHE-HACHORDNSA-N 0 3 221.247 0.866 20 0 BCADHN CCn1nnc(C)c1CNC[C@@H](C)OC ZINC000657624835 411565733 /nfs/dbraw/zinc/56/57/33/411565733.db2.gz UISCOJOQFQJLOA-MRVPVSSYSA-N 0 3 212.297 0.731 20 0 BCADHN Cn1nncc1CNCCc1ccoc1 ZINC000657654093 411570901 /nfs/dbraw/zinc/57/09/01/411570901.db2.gz RINDOLOSNDNLBR-UHFFFAOYSA-N 0 3 206.249 0.740 20 0 BCADHN CCOC1CC(CN2CCCN(C)C(=O)C2)C1 ZINC000375663386 170324672 /nfs/dbraw/zinc/32/46/72/170324672.db2.gz IQZBLLJFHBDORE-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CCOC1CC(N[C@@H]2CCC(=O)N(C)C2=O)C1 ZINC000131761429 170329430 /nfs/dbraw/zinc/32/94/30/170329430.db2.gz ZJGFRRPWBHYQFD-UDNWOFFPSA-N 0 3 240.303 0.291 20 0 BCADHN CCOC1CC(N[C@@]2(CO)CCOC2)C1 ZINC000309039143 170330068 /nfs/dbraw/zinc/33/00/68/170330068.db2.gz KBCJVESWKXALFK-VQXHTEKXSA-N 0 3 215.293 0.295 20 0 BCADHN CCOC1CCN(C(=O)[C@H](C)NC)CC1 ZINC000054076078 170332439 /nfs/dbraw/zinc/33/24/39/170332439.db2.gz RAVUFRATOPTRPM-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN CCOCC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000119215850 170340699 /nfs/dbraw/zinc/34/06/99/170340699.db2.gz YUATZTJXMFAPRZ-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CCOCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000110484464 170344842 /nfs/dbraw/zinc/34/48/42/170344842.db2.gz SMWYINWIAFDXCY-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN CCOCC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272677080 170345879 /nfs/dbraw/zinc/34/58/79/170345879.db2.gz KAKVSTQXFQTQPZ-JTQLQIEISA-N 0 3 226.320 0.790 20 0 BCADHN CCOCC(=O)Nc1ccnn1CCN(C)C ZINC000293985257 170349181 /nfs/dbraw/zinc/34/91/81/170349181.db2.gz GTLPPTQJQDTPBQ-UHFFFAOYSA-N 0 3 240.307 0.420 20 0 BCADHN CCOCCC(=O)N(CCOC)CCN(C)C ZINC000355231527 170357220 /nfs/dbraw/zinc/35/72/20/170357220.db2.gz BPDMOUHSZRQWHO-UHFFFAOYSA-N 0 3 246.351 0.450 20 0 BCADHN CCOCCC(=O)N(CCN(C)C)C1CC1 ZINC000356899503 170357942 /nfs/dbraw/zinc/35/79/42/170357942.db2.gz SNWIGDUIZPQYBW-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CCOCCC(=O)N1CCN(C)CC[C@H]1C ZINC000354006418 170358351 /nfs/dbraw/zinc/35/83/51/170358351.db2.gz LQFKPFHCKNBKIL-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCOCCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000374917118 170359041 /nfs/dbraw/zinc/35/90/41/170359041.db2.gz XYHDIPFWODGKFV-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCOCCC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000366442489 170359773 /nfs/dbraw/zinc/35/97/73/170359773.db2.gz JDBRMWSLCJEQOZ-CYBMUJFWSA-N 0 3 240.347 0.967 20 0 BCADHN CCOCCCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368177444 170365988 /nfs/dbraw/zinc/36/59/88/170365988.db2.gz GSZJGTLPLSYZFQ-UWVGGRQHSA-N 0 3 232.299 0.619 20 0 BCADHN CCOCCCN(C)[C@H]1COC[C@H]1O ZINC000352794857 170370334 /nfs/dbraw/zinc/37/03/34/170370334.db2.gz RWORQSTUFMHBAK-VHSXEESVSA-N 0 3 203.282 0.105 20 0 BCADHN CCOCCCN1CCC(O)(COC)CC1 ZINC000336684810 170371835 /nfs/dbraw/zinc/37/18/35/170371835.db2.gz UXLDDQFCPXQCLN-UHFFFAOYSA-N 0 3 231.336 0.886 20 0 BCADHN O=C1C[C@@H](CN2CCO[C@@H](C3CC3)C2)CN1 ZINC000660324156 411569632 /nfs/dbraw/zinc/56/96/32/411569632.db2.gz ZSKKYIIJZGHRRP-MWLCHTKSSA-N 0 3 224.304 0.233 20 0 BCADHN CCOCCN(C)CCN1CCOCC1 ZINC000336643687 170388105 /nfs/dbraw/zinc/38/81/05/170388105.db2.gz DHMUYPDBNPBMBK-UHFFFAOYSA-N 0 3 216.325 0.287 20 0 BCADHN CCOCCN(C)C1(C(N)=O)CCCC1 ZINC000120193799 170388578 /nfs/dbraw/zinc/38/85/78/170388578.db2.gz ROSJPHXOWJAXOW-UHFFFAOYSA-N 0 3 214.309 0.753 20 0 BCADHN CCOCCN(C)C[C@@](C)(O)C(=O)OCC ZINC000355043011 170390393 /nfs/dbraw/zinc/39/03/93/170390393.db2.gz FKVPFHMVKGTTQA-LLVKDONJSA-N 0 3 233.308 0.269 20 0 BCADHN CCOCCN(C)C[C@@H](O)Cn1cccn1 ZINC000181035018 170390543 /nfs/dbraw/zinc/39/05/43/170390543.db2.gz MAXODTQCKXRICW-LLVKDONJSA-N 0 3 227.308 0.212 20 0 BCADHN CCOCCN(CC)C(=O)[C@H](N)CC ZINC000082538330 170393758 /nfs/dbraw/zinc/39/37/58/170393758.db2.gz RGUAWJDBWUCRSF-SECBINFHSA-N 0 3 202.298 0.609 20 0 BCADHN C[C@H]1CC[C@H](N[C@H]2CCNC2=O)CS1 ZINC000663336841 411627983 /nfs/dbraw/zinc/62/79/83/411627983.db2.gz BNKGKBUBGAUUHR-CIUDSAMLSA-N 0 3 214.334 0.749 20 0 BCADHN CC(=O)N(C)c1ccc(NC(=O)[C@H](C)N)cc1 ZINC000133136299 411628167 /nfs/dbraw/zinc/62/81/67/411628167.db2.gz FPOAMLMNVXBVEC-QMMMGPOBSA-N 0 3 235.287 0.955 20 0 BCADHN CCN1OC[C@@H](N[C@H]2CCC[C@@H]3C[C@@H]32)C1=O ZINC000660781813 411628390 /nfs/dbraw/zinc/62/83/90/411628390.db2.gz WWQCXFGJKSWUQQ-VPOLOUISSA-N 0 3 224.304 0.927 20 0 BCADHN CCN1CCC(Nc2nccn3nnnc23)CC1 ZINC000531141728 411629136 /nfs/dbraw/zinc/62/91/36/411629136.db2.gz XPKMVGIZOGLFSS-UHFFFAOYSA-N 0 3 247.306 0.416 20 0 BCADHN CCN1CCCN(Cc2ncnn2C)[C@H](C)C1 ZINC000660790146 411633323 /nfs/dbraw/zinc/63/33/23/411633323.db2.gz DTONVGBGAJCIRW-LLVKDONJSA-N 0 3 237.351 0.731 20 0 BCADHN Cc1cc(NC(=O)[C@H]2CCN2)nn1C(C)C ZINC000335459739 411633454 /nfs/dbraw/zinc/63/34/54/411633454.db2.gz DAOIBWOGRTYVHF-SECBINFHSA-N 0 3 222.292 1.073 20 0 BCADHN CN(C)C(=O)[C@@H]1CCN(Cc2cn[nH]c2)C1 ZINC000660801823 411636834 /nfs/dbraw/zinc/63/68/34/411636834.db2.gz SZEKISVDTBYCGJ-SNVBAGLBSA-N 0 3 222.292 0.320 20 0 BCADHN Cc1nccn1CCNC1(C(=O)N(C)C)CC1 ZINC000660799418 411638176 /nfs/dbraw/zinc/63/81/76/411638176.db2.gz FSYWEHFYHUNJKF-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN Cc1nocc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000660805503 411640505 /nfs/dbraw/zinc/64/05/05/411640505.db2.gz NWSWSMPYDSRZGC-PWSUYJOCSA-N 0 3 240.303 0.860 20 0 BCADHN O=c1[nH]ccc2c1CN(CCc1cn[nH]n1)CC2 ZINC000660410558 411580372 /nfs/dbraw/zinc/58/03/72/411580372.db2.gz FRYKHISVJQXAPN-UHFFFAOYSA-N 0 3 245.286 0.506 20 0 BCADHN Cn1cncc1CNC[C@H](CO)CC1CC1 ZINC000657701318 411580845 /nfs/dbraw/zinc/58/08/45/411580845.db2.gz XSBWZOCYCISMNW-LLVKDONJSA-N 0 3 223.320 0.918 20 0 BCADHN CCN1CC[C@H](N[C@]2(C)CCO[C@H]2C)C1=O ZINC000660415350 411582350 /nfs/dbraw/zinc/58/23/50/411582350.db2.gz ZMVQLCULSDEQLK-JBLDHEPKSA-N 0 3 226.320 0.764 20 0 BCADHN Cn1ccc(CNC[C@@H](CO)CC2CC2)n1 ZINC000657701489 411582365 /nfs/dbraw/zinc/58/23/65/411582365.db2.gz ZBWCYVPDUDKOOL-NSHDSACASA-N 0 3 223.320 0.918 20 0 BCADHN O=C1C[C@H](CN2CCC[C@@H]2c2cc[nH]n2)CN1 ZINC000660428521 411583739 /nfs/dbraw/zinc/58/37/39/411583739.db2.gz DVXFZZVIHOARHD-GXSJLCMTSA-N 0 3 234.303 0.683 20 0 BCADHN Cn1cc(CN[C@@H]2C[C@H](O)C23CCC3)cn1 ZINC000657704264 411583868 /nfs/dbraw/zinc/58/38/68/411583868.db2.gz RNUZRWRVZKLISE-MNOVXSKESA-N 0 3 221.304 0.813 20 0 BCADHN COC[C@@H](NC[C@@H](COC)OC)[C@@H]1CCCO1 ZINC000660441177 411584436 /nfs/dbraw/zinc/58/44/36/411584436.db2.gz RYQGVTFSSLPHLN-TUAOUCFPSA-N 0 3 247.335 0.431 20 0 BCADHN CCN1CC[C@@H](N2C[C@H](O)C(C)(C)C2)C1=O ZINC000660445365 411584835 /nfs/dbraw/zinc/58/48/35/411584835.db2.gz YDWYIYFTRPJUFN-ZJUUUORDSA-N 0 3 226.320 0.310 20 0 BCADHN CCn1nncc1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000657710271 411585886 /nfs/dbraw/zinc/58/58/86/411585886.db2.gz URXGFGCRCPWXMY-MNOVXSKESA-N 0 3 236.319 0.691 20 0 BCADHN CCc1ncc(CNC[C@@H]2CCC(=O)N2)cn1 ZINC000657710404 411586207 /nfs/dbraw/zinc/58/62/07/411586207.db2.gz QTJNMOKDSUTFFR-JTQLQIEISA-N 0 3 234.303 0.407 20 0 BCADHN Cc1cc(CN2CC[C@](C)(C(N)=O)C2)nc(C)n1 ZINC000660460528 411588527 /nfs/dbraw/zinc/58/85/27/411588527.db2.gz GHMANHHQONWEMZ-ZDUSSCGKSA-N 0 3 248.330 0.791 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000130223930 411593335 /nfs/dbraw/zinc/59/33/35/411593335.db2.gz LWSIRDNPGNNWRT-MXWKQRLJSA-N 0 3 242.319 0.130 20 0 BCADHN CCOC[C@H](O)CN1CCC(CO)CC1 ZINC000068950031 170450336 /nfs/dbraw/zinc/45/03/36/170450336.db2.gz YMUXPTGWYKMONF-LLVKDONJSA-N 0 3 217.309 0.088 20 0 BCADHN COC[C@H](CN(C)[C@H]1CCCOC1)OC ZINC000660532367 411596381 /nfs/dbraw/zinc/59/63/81/411596381.db2.gz GQWNFLLCKXNGPW-QWRGUYRKSA-N 0 3 217.309 0.759 20 0 BCADHN COC[C@H](CN(C)[C@@H]1CCCOC1)OC ZINC000660532366 411596707 /nfs/dbraw/zinc/59/67/07/411596707.db2.gz GQWNFLLCKXNGPW-MNOVXSKESA-N 0 3 217.309 0.759 20 0 BCADHN CN(CCc1cn[nH]n1)[C@H]1CCCOC1 ZINC000660533931 411596876 /nfs/dbraw/zinc/59/68/76/411596876.db2.gz YVIVYAYDQLNSMO-JTQLQIEISA-N 0 3 210.281 0.458 20 0 BCADHN CN(CCO[C@H]1CC1(F)F)C1(CO)CC1 ZINC000660543297 411597947 /nfs/dbraw/zinc/59/79/47/411597947.db2.gz IDZRSAKXKMGVQP-QMMMGPOBSA-N 0 3 221.247 0.867 20 0 BCADHN CN(C)c1ncc(CN[C@H]2C[C@H](O)C2)n1C ZINC000657808358 411600801 /nfs/dbraw/zinc/60/08/01/411600801.db2.gz GRJMUYBYKZNETR-CZMCAQCFSA-N 0 3 224.308 0.099 20 0 BCADHN CCCn1cc(CN[C@H]2C[C@H](O)C2)cn1 ZINC000657809410 411601715 /nfs/dbraw/zinc/60/17/15/411601715.db2.gz JRSQLQVPUMUARQ-XYPYZODXSA-N 0 3 209.293 0.906 20 0 BCADHN CCc1nn(C)cc1CN[C@H]1C[C@H](O)C1 ZINC000657809755 411602371 /nfs/dbraw/zinc/60/23/71/411602371.db2.gz QALRWJXAEIIXQI-MGCOHNPYSA-N 0 3 209.293 0.595 20 0 BCADHN CCCN(CC(N)=O)C[C@H](OC)C1CCC1 ZINC000660618489 411608009 /nfs/dbraw/zinc/60/80/09/411608009.db2.gz RMNIUHRGEUVAQO-NSHDSACASA-N 0 3 228.336 0.999 20 0 BCADHN C[C@@H]1CN(CCN2C(=O)CN(C)C2=O)[C@H]1C ZINC000660639775 411611022 /nfs/dbraw/zinc/61/10/22/411611022.db2.gz KWINEDYLGRBJLA-BDAKNGLRSA-N 0 3 225.292 0.221 20 0 BCADHN CC(C)N(CCc1c[nH]nn1)C1COC1 ZINC000660648921 411612346 /nfs/dbraw/zinc/61/23/46/411612346.db2.gz ZLKJJLDIOTVHQU-UHFFFAOYSA-N 0 3 210.281 0.456 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@@H](C)Cn1cncn1 ZINC000657863347 411613503 /nfs/dbraw/zinc/61/35/03/411613503.db2.gz UFRDNJGOEJLUIZ-VIFPVBQESA-N 0 3 248.334 0.807 20 0 BCADHN C[C@H](Cn1cncn1)NCc1cccc(CO)c1 ZINC000657872297 411613813 /nfs/dbraw/zinc/61/38/13/411613813.db2.gz FYKHBISCKOCNQT-LLVKDONJSA-N 0 3 246.314 0.949 20 0 BCADHN CO[C@@H](CN1CCOC[C@@H](O)C1)C1CCC1 ZINC000660668820 411614184 /nfs/dbraw/zinc/61/41/84/411614184.db2.gz KPNQJAAEQKNXFY-RYUDHWBXSA-N 0 3 229.320 0.495 20 0 BCADHN C[C@@H](Cn1cncn1)NCc1cccc(CO)c1 ZINC000657872298 411614324 /nfs/dbraw/zinc/61/43/24/411614324.db2.gz FYKHBISCKOCNQT-NSHDSACASA-N 0 3 246.314 0.949 20 0 BCADHN CO[C@H](CNC(CO)CO)C1CCCCC1 ZINC000660695195 411615560 /nfs/dbraw/zinc/61/55/60/411615560.db2.gz FKZVAMIJEMMHQQ-GFCCVEGCSA-N 0 3 231.336 0.525 20 0 BCADHN CCCNC(=O)CNC1(CCO)CCCC1 ZINC000660679455 411617038 /nfs/dbraw/zinc/61/70/38/411617038.db2.gz BIIWXJYUOQKMRI-UHFFFAOYSA-N 0 3 228.336 0.797 20 0 BCADHN CN(C)C(=O)CNC1(CCO)CCCC1 ZINC000660680606 411617266 /nfs/dbraw/zinc/61/72/66/411617266.db2.gz PNPBENWIAADEBV-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN CCN1CC[C@H](N2CC[C@@H](OC)[C@H](C)C2)C1=O ZINC000660720911 411619102 /nfs/dbraw/zinc/61/91/02/411619102.db2.gz MQQCAPHMJLSCEK-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CO[C@@H]1CN([C@@H]2COC(C)(C)C2)C[C@H]1O ZINC000660737276 411620053 /nfs/dbraw/zinc/62/00/53/411620053.db2.gz WWABFEZHUBTHEM-IVZWLZJFSA-N 0 3 215.293 0.245 20 0 BCADHN CCO[C@@H]1COCC[C@H]1NCC(=O)NC1CC1 ZINC000362025660 170481448 /nfs/dbraw/zinc/48/14/48/170481448.db2.gz LNCYGQFLHVWWMR-GHMZBOCLSA-N 0 3 242.319 0.049 20 0 BCADHN CCn1cc([C@@H](C)NCCc2cn[nH]n2)cn1 ZINC000660738698 411620466 /nfs/dbraw/zinc/62/04/66/411620466.db2.gz CPMHRPKIQVDWDI-SECBINFHSA-N 0 3 234.307 0.914 20 0 BCADHN CN(C[C@@H]1COCCO1)C(C)(C)CO ZINC000660748281 411620587 /nfs/dbraw/zinc/62/05/87/411620587.db2.gz VFZVKCILNWDKRQ-SECBINFHSA-N 0 3 203.282 0.105 20 0 BCADHN CN([C@@H](CN)C(F)(F)F)S(=O)(=O)C1CC1 ZINC000663311021 411621620 /nfs/dbraw/zinc/62/16/20/411621620.db2.gz KUKVAXRFAMTKLI-LURJTMIESA-N 0 3 246.254 0.300 20 0 BCADHN COCCn1ccc(NC(=O)C(C)(C)N)n1 ZINC000494877575 411621638 /nfs/dbraw/zinc/62/16/38/411621638.db2.gz IGUXVYHZPGVNAG-UHFFFAOYSA-N 0 3 226.280 0.205 20 0 BCADHN CO[C@@H](CN[C@@H]1COC[C@@H]1OC)C1CCC1 ZINC000660780592 411621934 /nfs/dbraw/zinc/62/19/34/411621934.db2.gz SHRUWRODEGPFQL-WOPDTQHZSA-N 0 3 229.320 0.805 20 0 BCADHN CC(C)=CCCN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000660768176 411622728 /nfs/dbraw/zinc/62/27/28/411622728.db2.gz UEEOELPGSHFJKB-RYUDHWBXSA-N 0 3 238.331 0.932 20 0 BCADHN COCCN1CC[C@H](Nc2cnccn2)C1 ZINC000663577514 411705058 /nfs/dbraw/zinc/70/50/58/411705058.db2.gz MEZXRFIQYZHXOA-JTQLQIEISA-N 0 3 222.292 0.609 20 0 BCADHN CN(CCCO)[C@@H](CO)Cc1ccccc1 ZINC000661094969 411706079 /nfs/dbraw/zinc/70/60/79/411706079.db2.gz HPAXKDKZWPBLLW-CYBMUJFWSA-N 0 3 223.316 0.904 20 0 BCADHN CC[C@@H](C)N(CC)CCNS(C)(=O)=O ZINC000661104624 411708926 /nfs/dbraw/zinc/70/89/26/411708926.db2.gz ASQGKWZSWWFLGQ-SECBINFHSA-N 0 3 222.354 0.656 20 0 BCADHN CCN1CCN(CCNc2nnc(C)o2)CC1 ZINC000663399127 411648032 /nfs/dbraw/zinc/64/80/32/411648032.db2.gz RPXMTRRPJLHWGD-UHFFFAOYSA-N 0 3 239.323 0.427 20 0 BCADHN OCCOCCN1CC[C@H](O)CC12CCC2 ZINC000660836042 411651222 /nfs/dbraw/zinc/65/12/22/411651222.db2.gz OZQGAHSTFJQKNQ-NSHDSACASA-N 0 3 229.320 0.375 20 0 BCADHN CCO[C@H]1C[C@](N)(C(=O)N(C)CC)C1(C)C ZINC000162523542 170512291 /nfs/dbraw/zinc/51/22/91/170512291.db2.gz TWQYBOLOGCESDX-CABZTGNLSA-N 0 3 228.336 0.997 20 0 BCADHN COCc1nnc(NCCN(C)C)s1 ZINC000336644445 411662099 /nfs/dbraw/zinc/66/20/99/411662099.db2.gz ALAGKWRFGQLCIF-UHFFFAOYSA-N 0 3 216.310 0.658 20 0 BCADHN CO[C@H](CN(C)CCNC(C)=O)[C@@H]1CCOC1 ZINC000660904511 411667663 /nfs/dbraw/zinc/66/76/63/411667663.db2.gz SBXHNEKEFYDWDM-VXGBXAGGSA-N 0 3 244.335 0.106 20 0 BCADHN O=C(c1cccs1)N1CCOC2(CNC2)C1 ZINC000663483298 411669108 /nfs/dbraw/zinc/66/91/08/411669108.db2.gz LDLQYCHSBJJXLD-UHFFFAOYSA-N 0 3 238.312 0.563 20 0 BCADHN Cc1ccc(C(=O)N2CCOC3(CNC3)C2)cn1 ZINC000663486208 411669391 /nfs/dbraw/zinc/66/93/91/411669391.db2.gz XXWABZUWDLNUBT-UHFFFAOYSA-N 0 3 247.298 0.204 20 0 BCADHN CC[C@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000663485159 411669497 /nfs/dbraw/zinc/66/94/97/411669497.db2.gz ADYBKHHCIPZAJR-VIFPVBQESA-N 0 3 212.293 0.233 20 0 BCADHN CCCCCC(=O)N1CCOC2(CNC2)C1 ZINC000663486667 411669920 /nfs/dbraw/zinc/66/99/20/411669920.db2.gz OMTOQCLARIHRFS-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN C[C@H]1CN(CCc2c[nH]nn2)C2(CCC2)CO1 ZINC000660921652 411672090 /nfs/dbraw/zinc/67/20/90/411672090.db2.gz YNUXULVSGVKWNM-JTQLQIEISA-N 0 3 236.319 0.991 20 0 BCADHN NC(=O)[C@]1(NCCC2CCC2)CCOC1 ZINC000660926757 411676377 /nfs/dbraw/zinc/67/63/77/411676377.db2.gz RRHGPGABJHDAIG-NSHDSACASA-N 0 3 212.293 0.411 20 0 BCADHN O=C1CNC(=O)N1CCN1C[C@@H]2CCCC[C@@H]21 ZINC000660931126 411681826 /nfs/dbraw/zinc/68/18/26/411681826.db2.gz PTFQSVFQSNQIFN-UWVGGRQHSA-N 0 3 237.303 0.413 20 0 BCADHN Cc1nn(C)c(C)c1CN1CC[C@@H](F)[C@H](N)C1 ZINC000663506247 411688213 /nfs/dbraw/zinc/68/82/13/411688213.db2.gz KVQNNIRQIIOGOY-VXGBXAGGSA-N 0 3 240.326 0.908 20 0 BCADHN N[C@@H]1CN(CC[C@@H]2CCOC2)CC[C@H]1F ZINC000663506460 411688491 /nfs/dbraw/zinc/68/84/91/411688491.db2.gz XKDSCVRTXNLXFZ-GMTAPVOTSA-N 0 3 216.300 0.784 20 0 BCADHN Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H]2N)nc1 ZINC000424136576 411691064 /nfs/dbraw/zinc/69/10/64/411691064.db2.gz AUYHZNARCHPJAC-MNOVXSKESA-N 0 3 248.330 0.655 20 0 BCADHN C[C@@H]1CN(CCN(CCO)C2CC2)C[C@@H](C)O1 ZINC000314454489 411693323 /nfs/dbraw/zinc/69/33/23/411693323.db2.gz ZDOUMZKYUMCEIE-VXGBXAGGSA-N 0 3 242.363 0.552 20 0 BCADHN Cc1ccc(CN2CCOC3(CNC3)C2)nc1 ZINC000663512323 411694999 /nfs/dbraw/zinc/69/49/99/411694999.db2.gz IUPSYPRYPUPCHF-UHFFFAOYSA-N 0 3 233.315 0.564 20 0 BCADHN COc1cccc(CN2CCOC3(CNC3)C2)c1 ZINC000663514747 411695484 /nfs/dbraw/zinc/69/54/84/411695484.db2.gz ZJUBMZBKQLPUHP-UHFFFAOYSA-N 0 3 248.326 0.869 20 0 BCADHN CN(CCc1cnn(C)c1)Cc1cnc[nH]1 ZINC000661084462 411696628 /nfs/dbraw/zinc/69/66/28/411696628.db2.gz FWAMKYRLHUVWNC-UHFFFAOYSA-N 0 3 219.292 0.818 20 0 BCADHN CC[C@@H](N)C(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000563159970 411729034 /nfs/dbraw/zinc/72/90/34/411729034.db2.gz LOXAKDSJZKXHQE-MRVPVSSYSA-N 0 3 236.250 1.378 20 0 BCADHN COc1ccc2c(c1)[nH]nc2NC(=O)[C@@H](C)N ZINC000423765765 411730705 /nfs/dbraw/zinc/73/07/05/411730705.db2.gz ZJPSJLAAPQDDJA-ZCFIWIBFSA-N 0 3 234.259 0.857 20 0 BCADHN CCc1[nH]nc(NC(=O)[C@@H](C)NC2CC2)c1C ZINC000645954497 411757146 /nfs/dbraw/zinc/75/71/46/411757146.db2.gz VKJGZWPPCNWZEU-MRVPVSSYSA-N 0 3 236.319 1.360 20 0 BCADHN CCS(=O)(=O)NCCCN1C[C@H](C)[C@@H]1C ZINC000339572023 170616832 /nfs/dbraw/zinc/61/68/32/170616832.db2.gz RVPLVGRUOXGYHV-UWVGGRQHSA-N 0 3 234.365 0.656 20 0 BCADHN CCS(=O)(=O)NCCNCc1cc[nH]c1 ZINC000086251972 170618038 /nfs/dbraw/zinc/61/80/38/170618038.db2.gz QDUALUBDAGUNPI-UHFFFAOYSA-N 0 3 231.321 0.044 20 0 BCADHN Cc1nnc(CCNc2nc(C)nc(C)c2C)[nH]1 ZINC000354465309 411761730 /nfs/dbraw/zinc/76/17/30/411761730.db2.gz PNXASFANWZWSLX-UHFFFAOYSA-N 0 3 246.318 1.483 20 0 BCADHN Cn1cncc1CCCN1CCC[C@@H](O)C1 ZINC000314648825 411767055 /nfs/dbraw/zinc/76/70/55/411767055.db2.gz VSQCBLVCKWQQSI-GFCCVEGCSA-N 0 3 223.320 0.809 20 0 BCADHN Cc1cc(C)nc(N[C@@H](CO)CN(C)C)n1 ZINC000663910872 411772002 /nfs/dbraw/zinc/77/20/02/411772002.db2.gz QTCZLGMTACDNPF-SNVBAGLBSA-N 0 3 224.308 0.428 20 0 BCADHN CN(C)C[C@H](CO)Nc1cc2c(nn1)CCC2 ZINC000663911057 411772880 /nfs/dbraw/zinc/77/28/80/411772880.db2.gz WKDCFLGUNCWCTF-SNVBAGLBSA-N 0 3 236.319 0.300 20 0 BCADHN CN(C)C[C@@H](CO)Nc1cc2c(nn1)CCC2 ZINC000663911056 411772917 /nfs/dbraw/zinc/77/29/17/411772917.db2.gz WKDCFLGUNCWCTF-JTQLQIEISA-N 0 3 236.319 0.300 20 0 BCADHN COc1nc(C)cc(NC[C@@H]2CCCN2C)n1 ZINC000354505032 411773588 /nfs/dbraw/zinc/77/35/88/411773588.db2.gz LFCVLXBLPGQULI-JTQLQIEISA-N 0 3 236.319 1.300 20 0 BCADHN C[C@@H](CO)[C@H]1CCCCN1CC(=O)NC1CC1 ZINC000661430957 411773694 /nfs/dbraw/zinc/77/36/94/411773694.db2.gz AJJPTSUTFSBBKQ-CMPLNLGQSA-N 0 3 240.347 0.748 20 0 BCADHN CNC(=O)CN1CCCC[C@H]1[C@H](C)CO ZINC000661436858 411775839 /nfs/dbraw/zinc/77/58/39/411775839.db2.gz XJCZCHBCAKICNH-ZJUUUORDSA-N 0 3 214.309 0.215 20 0 BCADHN CCN(CCNC(=O)NC/C=C\CO)C1CC1 ZINC000663921590 411777753 /nfs/dbraw/zinc/77/77/53/411777753.db2.gz VZGBSOVATQFATJ-ARJAWSKDSA-N 0 3 241.335 0.318 20 0 BCADHN Cc1nc2ccc(N[C@H](C)CN(C)C)nn2n1 ZINC000343812909 411780890 /nfs/dbraw/zinc/78/08/90/411780890.db2.gz WIEXYQQCGGBFDX-MRVPVSSYSA-N 0 3 234.307 0.795 20 0 BCADHN C[C@@H]1CCCN(CC(=O)N(C)C)[C@H]1CCO ZINC000661488934 411785516 /nfs/dbraw/zinc/78/55/16/411785516.db2.gz ZBPUBTGSRPMQRI-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN OC[C@@H](NC[C@H](O)C(F)(F)F)C1CCC1 ZINC000661156867 411722324 /nfs/dbraw/zinc/72/23/24/411722324.db2.gz YZUCLVAJPNMZCZ-SFYZADRCSA-N 0 3 227.226 0.660 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@H](CO)C1CCC1 ZINC000661154926 411722519 /nfs/dbraw/zinc/72/25/19/411722519.db2.gz CDIBRTZTEKLNPJ-GXSJLCMTSA-N 0 3 228.336 0.652 20 0 BCADHN O=C(CN[C@@H](CO)C1CCC1)NC1CC1 ZINC000661154499 411723074 /nfs/dbraw/zinc/72/30/74/411723074.db2.gz AMRDFPWHCVIEKE-JTQLQIEISA-N 0 3 212.293 0.016 20 0 BCADHN COC[C@@H](NCc1c[nH]cn1)C1CCOCC1 ZINC000661159999 411723917 /nfs/dbraw/zinc/72/39/17/411723917.db2.gz VRYIUJIMNDVUAK-GFCCVEGCSA-N 0 3 239.319 0.941 20 0 BCADHN COC[C@@H](NCc1cnc[nH]1)C1CCOCC1 ZINC000661159999 411723923 /nfs/dbraw/zinc/72/39/23/411723923.db2.gz VRYIUJIMNDVUAK-GFCCVEGCSA-N 0 3 239.319 0.941 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)COCCOC)N(C)C ZINC000338964839 170666701 /nfs/dbraw/zinc/66/67/01/170666701.db2.gz UFFQUOXKRJQRCP-MNOVXSKESA-N 0 3 246.351 0.494 20 0 BCADHN Cc1nnc(N[C@@H]2CCN(C)[C@H](C)C2)o1 ZINC000380263000 411800322 /nfs/dbraw/zinc/80/03/22/411800322.db2.gz SIRIHOCXJNDYHK-VXNVDRBHSA-N 0 3 210.281 1.273 20 0 BCADHN Cc1nnc(NCC2(N(C)C)CC2)nc1C ZINC000333519278 411801330 /nfs/dbraw/zinc/80/13/30/411801330.db2.gz KGSXMZWQPWFXTH-UHFFFAOYSA-N 0 3 221.308 0.995 20 0 BCADHN CCn1ccc(NC(=O)[C@@H]2CCN(C)C2)n1 ZINC000618040828 411808538 /nfs/dbraw/zinc/80/85/38/411808538.db2.gz XEWHJTIFNNRDQK-SECBINFHSA-N 0 3 222.292 0.793 20 0 BCADHN CCn1ccc(NC(=O)[C@H]2CCN(C)C2)n1 ZINC000618040829 411808635 /nfs/dbraw/zinc/80/86/35/411808635.db2.gz XEWHJTIFNNRDQK-VIFPVBQESA-N 0 3 222.292 0.793 20 0 BCADHN CO[C@H](CNC1(C(N)=O)CCOCC1)C1CC1 ZINC000661594802 411811030 /nfs/dbraw/zinc/81/10/30/411811030.db2.gz CDHXBCGKNNCNTJ-SNVBAGLBSA-N 0 3 242.319 0.036 20 0 BCADHN CC(C)(C)[C@H](O)CNC1(C(N)=O)CCOCC1 ZINC000661594759 411811051 /nfs/dbraw/zinc/81/10/51/411811051.db2.gz BILGJHYQZUJVRF-SECBINFHSA-N 0 3 244.335 0.018 20 0 BCADHN C[C@@H]1CC[C@@H](CNC2(C(N)=O)CCOCC2)O1 ZINC000661595570 411811123 /nfs/dbraw/zinc/81/11/23/411811123.db2.gz SDYFRUZIWCZKDS-ZJUUUORDSA-N 0 3 242.319 0.178 20 0 BCADHN O=C1CC[C@H]2CN(CCn3cccn3)CC[C@H]2N1 ZINC000661598424 411811406 /nfs/dbraw/zinc/81/14/06/411811406.db2.gz WIQJNGWSTHPZNZ-NWDGAFQWSA-N 0 3 248.330 0.484 20 0 BCADHN CC[C@@H](C)CN(C)CC(=O)N1CCOCC1 ZINC000111254987 170697144 /nfs/dbraw/zinc/69/71/44/170697144.db2.gz RYOGWRMLEXGWQU-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CN(C[C@H]1COCCO1)CC1(C)COC1 ZINC000661605732 411814848 /nfs/dbraw/zinc/81/48/48/411814848.db2.gz QOUSHXVJNLUJKB-JTQLQIEISA-N 0 3 215.293 0.370 20 0 BCADHN CN(CCc1cncn1C)C[C@@H]1COCCO1 ZINC000661611350 411816323 /nfs/dbraw/zinc/81/63/23/411816323.db2.gz JFMIOYXCXASZED-GFCCVEGCSA-N 0 3 239.319 0.310 20 0 BCADHN C[C@@H](CO)CN1C[C@@H](CO)OC(C)(C)C1 ZINC000228938906 487620749 /nfs/dbraw/zinc/62/07/49/487620749.db2.gz ZUTKAVYTDKEAFO-ZJUUUORDSA-N 0 3 217.309 0.087 20 0 BCADHN CC(C)OCCCN1CCC(O)(CO)CC1 ZINC000661618475 411817503 /nfs/dbraw/zinc/81/75/03/411817503.db2.gz XHPXOCJFCPZVBK-UHFFFAOYSA-N 0 3 231.336 0.621 20 0 BCADHN CO[C@@H](CN(C)C[C@H]1COCCO1)C1CC1 ZINC000661614341 411817803 /nfs/dbraw/zinc/81/78/03/411817803.db2.gz PHFIDXSBMZVYCT-RYUDHWBXSA-N 0 3 229.320 0.759 20 0 BCADHN C[C@@H](CN(C)C)Nc1ccc(C#N)nn1 ZINC000380279174 411818494 /nfs/dbraw/zinc/81/84/94/411818494.db2.gz YNZRXRZETUEBTK-QMMMGPOBSA-N 0 3 205.265 0.710 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661620852 411819765 /nfs/dbraw/zinc/81/97/65/411819765.db2.gz AWKXFYVRGYLEAE-WHOHXGKFSA-N 0 3 242.363 0.850 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@](O)(C2CC2)C1 ZINC000661634333 411826436 /nfs/dbraw/zinc/82/64/36/411826436.db2.gz XPWKSRUISYAYKF-ZDUSSCGKSA-N 0 3 240.347 0.702 20 0 BCADHN CN(C)C(=O)CCN(C)CC1=CCCOC1 ZINC000661652094 411829044 /nfs/dbraw/zinc/82/90/44/411829044.db2.gz JFMWHDKQDVDXNQ-UHFFFAOYSA-N 0 3 226.320 0.743 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@@](O)(C2CC2)C1 ZINC000661635316 411829430 /nfs/dbraw/zinc/82/94/30/411829430.db2.gz FDCSVGNNRADLNZ-ZDUSSCGKSA-N 0 3 240.347 0.748 20 0 BCADHN CCOC[C@@H](O)CN(C)CC1=CCCOC1 ZINC000661655632 411830498 /nfs/dbraw/zinc/83/04/98/411830498.db2.gz RVCLWWSSYNOEMA-LBPRGKRZSA-N 0 3 229.320 0.662 20 0 BCADHN C[C@H]1C(=O)N(CCN(C)C)CN1c1cnccn1 ZINC000664054064 411832480 /nfs/dbraw/zinc/83/24/80/411832480.db2.gz HACROKATSFKGTP-JTQLQIEISA-N 0 3 249.318 0.033 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@@H](CCF)C1 ZINC000661690444 411841540 /nfs/dbraw/zinc/84/15/40/411841540.db2.gz NGKCQXBSZFOKPM-BDAKNGLRSA-N 0 3 202.273 0.932 20 0 BCADHN Cn1nccc1CN1C[C@@H]2COC[C@]2(C)C1 ZINC000661697398 411845548 /nfs/dbraw/zinc/84/55/48/411845548.db2.gz BXUYFTQWDCKAIY-PWSUYJOCSA-N 0 3 221.304 0.888 20 0 BCADHN CCN(CC)C(=O)CN1C[C@H]2COC[C@]2(C)C1 ZINC000661701344 411847561 /nfs/dbraw/zinc/84/75/61/411847561.db2.gz ZPSRDRQUJMHJKJ-AAEUAGOBSA-N 0 3 240.347 0.823 20 0 BCADHN CC(C)(C)NC(=O)CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000661705129 411849406 /nfs/dbraw/zinc/84/94/06/411849406.db2.gz ZTYBWSMNFGYBJW-ZWNOBZJWSA-N 0 3 240.347 0.869 20 0 BCADHN NC(=O)c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000661713686 411854399 /nfs/dbraw/zinc/85/43/99/411854399.db2.gz JEZBZCVOSGEHBZ-GXTWGEPZSA-N 0 3 246.310 0.742 20 0 BCADHN Cc1nccn1CCN1CC[C@@]2(O)C[C@H]2C1 ZINC000661723342 411858657 /nfs/dbraw/zinc/85/86/57/411858657.db2.gz ZUZFHPLWEFYVNS-NWDGAFQWSA-N 0 3 221.304 0.648 20 0 BCADHN CCN(Cc1ccnc(N)c1)C[C@@H](C)O ZINC000336694805 411858872 /nfs/dbraw/zinc/85/88/72/411858872.db2.gz NNXVGMZQDOZPKL-SECBINFHSA-N 0 3 209.293 0.867 20 0 BCADHN COCCCN1CCC[C@H](c2nnc(N)o2)C1 ZINC000639822148 411862886 /nfs/dbraw/zinc/86/28/86/411862886.db2.gz LPLUZWJVFAJYMX-VIFPVBQESA-N 0 3 240.307 0.868 20 0 BCADHN C[C@@H](O)CCN1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662007695 411941847 /nfs/dbraw/zinc/94/18/47/411941847.db2.gz JAMYVHLPIKFSOR-GHMZBOCLSA-N 0 3 243.351 0.445 20 0 BCADHN CC(C)COCCN1CCC(=O)N(C)CC1 ZINC000661805037 411887225 /nfs/dbraw/zinc/88/72/25/411887225.db2.gz BDFWDKXLGJBEBX-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1ccc(N)nc1 ZINC000647756422 411888687 /nfs/dbraw/zinc/88/86/87/411888687.db2.gz FKNKIOVKZAVZTP-SSDOTTSWSA-N 0 3 220.276 0.743 20 0 BCADHN CO[C@H](C)CN1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662014268 411941954 /nfs/dbraw/zinc/94/19/54/411941954.db2.gz YPJPOWBIJHMDND-GHMZBOCLSA-N 0 3 243.351 0.709 20 0 BCADHN C[C@H](O)CCCN1CCC(=O)N(C)CC1 ZINC000661805937 411889594 /nfs/dbraw/zinc/88/95/94/411889594.db2.gz VDGKWTPJSAIJAI-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662008565 411942023 /nfs/dbraw/zinc/94/20/23/411942023.db2.gz OXWUNZTYBFIRCV-ZJUUUORDSA-N 0 3 229.324 0.055 20 0 BCADHN C[C@@H](O)CN1CCC[C@H](c2nnc(N)o2)C1 ZINC000639822671 411890855 /nfs/dbraw/zinc/89/08/55/411890855.db2.gz RKXDEIOEPVPLQY-SFYZADRCSA-N 0 3 226.280 0.212 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1NCc1ccnc(N)c1 ZINC000578784197 411891418 /nfs/dbraw/zinc/89/14/18/411891418.db2.gz DCKAEUGFDPYLJO-VHSXEESVSA-N 0 3 221.304 0.913 20 0 BCADHN CO[C@@H](C)CN1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639820632 411891509 /nfs/dbraw/zinc/89/15/09/411891509.db2.gz DCCKYONHVNLBGQ-DTWKUNHWSA-N 0 3 240.307 0.866 20 0 BCADHN O=C(CN[C@@H]1C[C@@H](O)C12CCC2)NCC1CC1 ZINC000661824174 411892099 /nfs/dbraw/zinc/89/20/99/411892099.db2.gz AKNFHBLXGLWMLQ-GHMZBOCLSA-N 0 3 238.331 0.406 20 0 BCADHN CCN1CC[C@H](N[C@H]2C[C@H](O)C23CCC3)C1=O ZINC000661825336 411892581 /nfs/dbraw/zinc/89/25/81/411892581.db2.gz FTGSKBCYMDGBIQ-DCAQKATOSA-N 0 3 238.331 0.500 20 0 BCADHN CC(=O)[C@](C)(O)CN[C@H]1C[C@@H](O)C12CCC2 ZINC000661826388 411892662 /nfs/dbraw/zinc/89/26/62/411892662.db2.gz IOYBMJGHFALTBU-HBNTYKKESA-N 0 3 227.304 0.220 20 0 BCADHN CCCNC(=O)CN[C@@H]1C[C@H](O)C12CCC2 ZINC000661824152 411893019 /nfs/dbraw/zinc/89/30/19/411893019.db2.gz BGDAZQGYPLMMAD-ZJUUUORDSA-N 0 3 226.320 0.406 20 0 BCADHN CN(C(=O)CN[C@H]1C[C@H](O)C12CCC2)C1CC1 ZINC000661830429 411894798 /nfs/dbraw/zinc/89/47/98/411894798.db2.gz HVLCQHUDSGJKCD-QWRGUYRKSA-N 0 3 238.331 0.500 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccn(C)n1 ZINC000037471759 170778904 /nfs/dbraw/zinc/77/89/04/170778904.db2.gz ZQZVDXUSDMJWLU-VXNVDRBHSA-N 0 3 210.281 0.732 20 0 BCADHN CCc1nc(CN[C@H]2C[C@@H](O)C23CCC3)n[nH]1 ZINC000661831256 411896246 /nfs/dbraw/zinc/89/62/46/411896246.db2.gz NAAJCSUFZZYQHJ-DTWKUNHWSA-N 0 3 236.319 0.760 20 0 BCADHN CS(=O)(=O)CCCN[C@@H]1C[C@H](O)C12CCC2 ZINC000661833007 411897084 /nfs/dbraw/zinc/89/70/84/411897084.db2.gz MIZVCNCRQRGOKD-ZJUUUORDSA-N 0 3 247.360 0.314 20 0 BCADHN CC[C@H](N[C@H]1C[C@H](O)C12CCC2)C(N)=O ZINC000661834735 411897344 /nfs/dbraw/zinc/89/73/44/411897344.db2.gz IVLOXNXRBCJRJE-CIUDSAMLSA-N 0 3 212.293 0.143 20 0 BCADHN Nc1cc(CN[C@@H](CO)[C@@H]2CCCO2)ccn1 ZINC000447924972 411942327 /nfs/dbraw/zinc/94/23/27/411942327.db2.gz XUTDNMYRYZFZFV-QWRGUYRKSA-N 0 3 237.303 0.293 20 0 BCADHN C[C@H](N[C@H]1C[C@H](O)C12CCC2)C(=O)NC1CC1 ZINC000661836969 411899348 /nfs/dbraw/zinc/89/93/48/411899348.db2.gz HDGVJXFGHXRWRV-LSJOCFKGSA-N 0 3 238.331 0.547 20 0 BCADHN Cn1ncnc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000664254504 411899508 /nfs/dbraw/zinc/89/95/08/411899508.db2.gz FJBXEWJTLYIVQU-SNVBAGLBSA-N 0 3 249.318 0.029 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2ncnn2C)CCN1C ZINC000664255812 411900768 /nfs/dbraw/zinc/90/07/68/411900768.db2.gz TWHNVGCCEFADLG-DTWKUNHWSA-N 0 3 237.307 0.028 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ncnn2C)CCN1C ZINC000664255811 411901417 /nfs/dbraw/zinc/90/14/17/411901417.db2.gz TWHNVGCCEFADLG-BDAKNGLRSA-N 0 3 237.307 0.028 20 0 BCADHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccnc(N)c1 ZINC000330576217 411901751 /nfs/dbraw/zinc/90/17/51/411901751.db2.gz OXQMFALQYFOZEH-QWRGUYRKSA-N 0 3 248.330 0.668 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853253 411902036 /nfs/dbraw/zinc/90/20/36/411902036.db2.gz QCRSZNVSJKCQRS-SCVCMEIPSA-N 0 3 229.320 0.826 20 0 BCADHN CN[C@H](C)c1cn(Cc2ccnc(N)c2)nn1 ZINC000641069102 411904984 /nfs/dbraw/zinc/90/49/84/411904984.db2.gz WZGDPVKFAHPQPG-MRVPVSSYSA-N 0 3 232.291 0.584 20 0 BCADHN C[C@@H]1CCN([C@H]2CCCNC2=O)C[C@H](C)O1 ZINC000661856966 411904924 /nfs/dbraw/zinc/90/49/24/411904924.db2.gz KNOMZSPPLNBXGC-VWYCJHECSA-N 0 3 226.320 0.764 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H]2COC[C@@H]2C1 ZINC000662034380 411942510 /nfs/dbraw/zinc/94/25/10/411942510.db2.gz CDSXGYDYJWWZAJ-QWRGUYRKSA-N 0 3 226.320 0.433 20 0 BCADHN CN(C)C(=O)CCNCc1ccc(N)nc1 ZINC000647548672 411906147 /nfs/dbraw/zinc/90/61/47/411906147.db2.gz OEAHVFKSCHFHQJ-UHFFFAOYSA-N 0 3 222.292 0.232 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2ccc(N)nc2)C1 ZINC000638127361 411906793 /nfs/dbraw/zinc/90/67/93/411906793.db2.gz VGBURIVAGWCOQB-SNVBAGLBSA-N 0 3 248.330 0.735 20 0 BCADHN COC(=O)CC1(NCc2ccnc(N)c2)CC1 ZINC000593057471 411908080 /nfs/dbraw/zinc/90/80/80/411908080.db2.gz KBNBCPKHROTZMQ-UHFFFAOYSA-N 0 3 235.287 0.849 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1nc(C)no1 ZINC000038035028 170795758 /nfs/dbraw/zinc/79/57/58/170795758.db2.gz BJIFAXGGJDZIGI-MUWHJKNJSA-N 0 3 226.280 0.368 20 0 BCADHN CC(C)(C)OCCCN1CCC(CO)(CO)C1 ZINC000661945838 411916195 /nfs/dbraw/zinc/91/61/95/411916195.db2.gz RVSAGMFCNUJAGW-UHFFFAOYSA-N 0 3 245.363 0.868 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N[C@H](CC)CO)C1 ZINC000661951222 411918528 /nfs/dbraw/zinc/91/85/28/411918528.db2.gz QQSIUALRVFTNPE-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN Nc1cccc(CN2CCC(CO)(CO)C2)c1 ZINC000661951276 411919016 /nfs/dbraw/zinc/91/90/16/411919016.db2.gz QZLONWQDJVCDHV-UHFFFAOYSA-N 0 3 236.315 0.446 20 0 BCADHN C[C@H](CCNC(=O)C(=O)c1ccc[nH]1)N(C)C ZINC000664330241 411923263 /nfs/dbraw/zinc/92/32/63/411923263.db2.gz HVWZTNLRXSCAJQ-SECBINFHSA-N 0 3 237.303 0.654 20 0 BCADHN CN(CC1CN(C)C1)c1ccnc2c1cnn2C ZINC000664331706 411923323 /nfs/dbraw/zinc/92/33/23/411923323.db2.gz QOONYUXWQYANCC-UHFFFAOYSA-N 0 3 245.330 0.966 20 0 BCADHN O=C1CCCN1CCN1CC[C@H]2C[C@H]2C1 ZINC000661970032 411927393 /nfs/dbraw/zinc/92/73/93/411927393.db2.gz DIPHFRPOXIWSPB-QWRGUYRKSA-N 0 3 208.305 0.951 20 0 BCADHN C[C@H]1CNCCN1c1ncnc2nc(N)ccc21 ZINC000420161335 411928868 /nfs/dbraw/zinc/92/88/68/411928868.db2.gz CFODWZGJCAQHRR-QMMMGPOBSA-N 0 3 244.302 0.405 20 0 BCADHN O=C1CNC(=O)N1CCCN1CC[C@H]2C[C@H]2C1 ZINC000661974844 411930149 /nfs/dbraw/zinc/93/01/49/411930149.db2.gz PSNIRIHXLVOHSR-UWVGGRQHSA-N 0 3 237.303 0.270 20 0 BCADHN CNS(=O)(=O)CCCN1CC[C@H]2C[C@H]2C1 ZINC000661977837 411931740 /nfs/dbraw/zinc/93/17/40/411931740.db2.gz ZZORMDSZLQKGRC-UWVGGRQHSA-N 0 3 232.349 0.268 20 0 BCADHN COCCCNC(=O)[C@H](C)N1CC[C@@H]2C[C@@H]2C1 ZINC000661976295 411932394 /nfs/dbraw/zinc/93/23/94/411932394.db2.gz UXWXNRXZIFQNSZ-QJPTWQEYSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@H]2C[C@H]2C1 ZINC000661977873 411932742 /nfs/dbraw/zinc/93/27/42/411932742.db2.gz MFKSNXGOMPVLAI-UTLUCORTSA-N 0 3 208.305 0.995 20 0 BCADHN Nc1nccc([C@@H]2CCCN([C@H]3CCOC3)C2)n1 ZINC000329203911 411933608 /nfs/dbraw/zinc/93/36/08/411933608.db2.gz WMWIOWVKMMAGDO-MNOVXSKESA-N 0 3 248.330 1.027 20 0 BCADHN Nc1nccc([C@H]2CCCN([C@H]3CCOC3)C2)n1 ZINC000329203912 411935113 /nfs/dbraw/zinc/93/51/13/411935113.db2.gz WMWIOWVKMMAGDO-QWRGUYRKSA-N 0 3 248.330 1.027 20 0 BCADHN Nc1ncc2c(n1)CN(C[C@H]1CCOC1)CC2 ZINC000623292966 411936301 /nfs/dbraw/zinc/93/63/01/411936301.db2.gz HHSDXBVODCNWAT-SECBINFHSA-N 0 3 234.303 0.453 20 0 BCADHN CCOCCN1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662011872 411939793 /nfs/dbraw/zinc/93/97/93/411939793.db2.gz MYOWCKCQVDJFLL-LLVKDONJSA-N 0 3 243.351 0.711 20 0 BCADHN Nc1cc(CN2CC[C@@](O)(C3CC3)C2)ccn1 ZINC000373918374 411940139 /nfs/dbraw/zinc/94/01/39/411940139.db2.gz PQQCJGDDFJWKAD-ZDUSSCGKSA-N 0 3 233.315 1.011 20 0 BCADHN CO[C@H](C)CN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662014269 411940976 /nfs/dbraw/zinc/94/09/76/411940976.db2.gz YPJPOWBIJHMDND-MNOVXSKESA-N 0 3 243.351 0.709 20 0 BCADHN COCCN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662010182 411941089 /nfs/dbraw/zinc/94/10/89/411941089.db2.gz CEKYCBZCIJKQMH-JTQLQIEISA-N 0 3 229.324 0.321 20 0 BCADHN CO[C@@H](C)CN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662014270 411941129 /nfs/dbraw/zinc/94/11/29/411941129.db2.gz YPJPOWBIJHMDND-QWRGUYRKSA-N 0 3 243.351 0.709 20 0 BCADHN CC[C@@H](CO)NCc1ccc(C(=O)NC)cc1 ZINC000037860210 170840118 /nfs/dbraw/zinc/84/01/18/170840118.db2.gz RUOXLJFXJRCSBQ-LBPRGKRZSA-N 0 3 236.315 0.907 20 0 BCADHN CCCNC(=O)CN1CCC[C@@H]1[C@H](C)O ZINC000661766593 411878149 /nfs/dbraw/zinc/87/81/49/411878149.db2.gz GMKLPFFXFQMCNH-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@H](O)[C@H]1CCCN1CC(=O)N(C)CC1CC1 ZINC000661767859 411878406 /nfs/dbraw/zinc/87/84/06/411878406.db2.gz PGNNJPOXZVKOKX-CMPLNLGQSA-N 0 3 240.347 0.700 20 0 BCADHN COC[C@@H](C)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662011853 411941704 /nfs/dbraw/zinc/94/17/04/411941704.db2.gz AKABZKAUMLZCBZ-MNOVXSKESA-N 0 3 243.351 0.709 20 0 BCADHN CN(Cc1ccnc(N)c1)[C@H]1CCC(=O)N(C)C1 ZINC000580325153 411883313 /nfs/dbraw/zinc/88/33/13/411883313.db2.gz KCTWYOGFKSDFLA-NSHDSACASA-N 0 3 248.330 0.716 20 0 BCADHN CN(Cc1ccnc(N)c1)[C@@H]1CCC[C@@H]1O ZINC000348104267 411884511 /nfs/dbraw/zinc/88/45/11/411884511.db2.gz GYQAKLOIHKOLKR-MNOVXSKESA-N 0 3 221.304 1.009 20 0 BCADHN COCCN1CC[C@@H](CN2CCCC2=O)C1 ZINC000662049542 411966717 /nfs/dbraw/zinc/96/67/17/411966717.db2.gz BGYZYFDTCHOZRS-LLVKDONJSA-N 0 3 226.320 0.577 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1CCC2(COC2)C1 ZINC000662075345 411975517 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SADPUKYZRSTFRJ-VHSXEESVSA-N 0 3 212.293 0.043 20 0 BCADHN Cn1cnc(CN2CC[C@H]3COC[C@@H]3C2)c1 ZINC000662037811 411954589 /nfs/dbraw/zinc/95/45/89/411954589.db2.gz UYVYWJOMTHLSPC-QWRGUYRKSA-N 0 3 221.304 0.888 20 0 BCADHN Cn1cncc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000662038814 411955372 /nfs/dbraw/zinc/95/53/72/411955372.db2.gz TXJOLOGUZJGHHP-GHMZBOCLSA-N 0 3 221.304 0.888 20 0 BCADHN CC(C)(C)NC(=O)CN1CC[C@@H]2COC[C@@H]2C1 ZINC000662038567 411955887 /nfs/dbraw/zinc/95/58/87/411955887.db2.gz MTNRTNKWDBTHQC-MNOVXSKESA-N 0 3 240.347 0.869 20 0 BCADHN CCNC(=O)CN1CC[C@H]2COC[C@H]2C1 ZINC000662041996 411961253 /nfs/dbraw/zinc/96/12/53/411961253.db2.gz MACDFCKEQNTADK-VHSXEESVSA-N 0 3 212.293 0.091 20 0 BCADHN Cc1nc(N)nc(N2CC[C@@H]3CCN(C)C[C@@H]32)n1 ZINC000631199828 411963461 /nfs/dbraw/zinc/96/34/61/411963461.db2.gz VRBYCTUMDYJROM-UWVGGRQHSA-N 0 3 248.334 0.293 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H]1[C@H](C)O ZINC000664895617 412040369 /nfs/dbraw/zinc/04/03/69/412040369.db2.gz HVEBXLUXBGWNHN-GARJFASQSA-N 0 3 243.351 0.491 20 0 BCADHN CCCCN(CCO)C[C@@H]1CNCCO1 ZINC000662249236 412040655 /nfs/dbraw/zinc/04/06/55/412040655.db2.gz KCYOGHHXEKJLLQ-NSHDSACASA-N 0 3 216.325 0.069 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H](CO)C1CCC1 ZINC000664897474 412041061 /nfs/dbraw/zinc/04/10/61/412041061.db2.gz RGSYQDFPBBMTSU-ONGXEEELSA-N 0 3 243.351 0.397 20 0 BCADHN COCCC1CN(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000664898233 412041162 /nfs/dbraw/zinc/04/11/62/412041162.db2.gz ZLYXQKVFLDFOLK-JTQLQIEISA-N 0 3 243.351 0.614 20 0 BCADHN C([C@@H]1CCC2(CNC2)O1)N1CCSCC1 ZINC000662249493 412047418 /nfs/dbraw/zinc/04/74/18/412047418.db2.gz VQZHSBDVHHTASY-JTQLQIEISA-N 0 3 228.361 0.556 20 0 BCADHN C[C@H]1CN(C[C@@H]2CCC3(CNC3)O2)CCO1 ZINC000662249711 412047604 /nfs/dbraw/zinc/04/76/04/412047604.db2.gz YIKYFLFRANKPDO-QWRGUYRKSA-N 0 3 226.320 0.228 20 0 BCADHN CC(C)C[C@@H]1COCCN1C[C@@H]1CNCCO1 ZINC000662254254 412049738 /nfs/dbraw/zinc/04/97/38/412049738.db2.gz GLLGMJQATZZZSB-OLZOCXBDSA-N 0 3 242.363 0.722 20 0 BCADHN CC1(C)CN(C[C@@H]2CNCCO2)C(C)(C)CO1 ZINC000662256912 412050786 /nfs/dbraw/zinc/05/07/86/412050786.db2.gz ZHRIONCOEKBKNG-NSHDSACASA-N 0 3 242.363 0.864 20 0 BCADHN CN(Cc1ccon1)C[C@@H]1CCC2(CNC2)O1 ZINC000662255791 412050875 /nfs/dbraw/zinc/05/08/75/412050875.db2.gz ROYQVKNRSSAOAD-NSHDSACASA-N 0 3 237.303 0.627 20 0 BCADHN CN(C[C@@H]1CCC2(CNC2)O1)c1cnn(C)c1 ZINC000662263471 412056589 /nfs/dbraw/zinc/05/65/89/412056589.db2.gz MMBITJJVFMHQQM-NSHDSACASA-N 0 3 236.319 0.377 20 0 BCADHN CC[C@@H]1CCN(CC(=O)N2CCNC2=O)C1 ZINC000125513193 171008954 /nfs/dbraw/zinc/00/89/54/171008954.db2.gz CRCHUQVKFJUDBN-SECBINFHSA-N 0 3 225.292 0.270 20 0 BCADHN CC[C@@H]1CCN1C(=O)C(C)S(C)(=O)=O ZINC000334307347 171019805 /nfs/dbraw/zinc/01/98/05/171019805.db2.gz DIGCZBAQAIENLZ-HTQZYQBOSA-N 0 3 219.306 0.430 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N1CC(=O)NCC(=O)OC ZINC000330668238 171035879 /nfs/dbraw/zinc/03/58/79/171035879.db2.gz XQKCTVIEPRAFFM-NXEZZACHSA-N 0 3 242.319 0.539 20 0 BCADHN CC[C@@H]1CC[C@H](C(=O)NCCN(C)C)O1 ZINC000362569535 171047665 /nfs/dbraw/zinc/04/76/65/171047665.db2.gz NPEIAUOTHMYZRD-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](CN)OC)CCS1 ZINC000227408442 171067284 /nfs/dbraw/zinc/06/72/84/171067284.db2.gz LLGMVBSURHPSBA-RKDXNWHRSA-N 0 3 232.349 0.314 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)C[C@H](C)O1 ZINC000331363059 171068575 /nfs/dbraw/zinc/06/85/75/171068575.db2.gz ABGJFLWZAFAXDZ-JLIMGVALSA-N 0 3 212.293 0.360 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](N)CC(C)C)CCO1 ZINC000036770016 171069065 /nfs/dbraw/zinc/06/90/65/171069065.db2.gz OOXZPHTWVRBJCA-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](N)CC(F)F)CCO1 ZINC000309316801 171069580 /nfs/dbraw/zinc/06/95/80/171069580.db2.gz PKEQAZSCVBKOOV-HTQZYQBOSA-N 0 3 236.262 0.606 20 0 BCADHN CC[C@@H]1CN(CC(=O)N(CC)CC)C[C@@H]1O ZINC000341020334 171077271 /nfs/dbraw/zinc/07/72/71/171077271.db2.gz RBSWEYXMRFMLTM-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@@H]1CN(C[C@@H](O)CN(C)C2CC2)CCO1 ZINC000310330808 171083011 /nfs/dbraw/zinc/08/30/11/171083011.db2.gz JZOAGSJIRPLNRS-QWHCGFSZSA-N 0 3 242.363 0.552 20 0 BCADHN CC[C@@H]1CN([C@@H]2CCCCNC2=O)C[C@@H]1O ZINC000341048025 171093284 /nfs/dbraw/zinc/09/32/84/171093284.db2.gz NYWVOIPWPSGWNA-MXWKQRLJSA-N 0 3 226.320 0.358 20 0 BCADHN CC[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC000341018219 171095734 /nfs/dbraw/zinc/09/57/34/171095734.db2.gz VNXPIGLBGMUTCD-BBBLOLIVSA-N 0 3 214.309 0.166 20 0 BCADHN CC[C@@H]1CN([C@@H]2CCN(C3CC3)C2=O)C[C@H]1O ZINC000341030955 171096807 /nfs/dbraw/zinc/09/68/07/171096807.db2.gz LAHGVTDLCLFQCE-YUSALJHKSA-N 0 3 238.331 0.452 20 0 BCADHN CC[C@H](C(N)=O)N1CCCO[C@H](CC)C1 ZINC000308772221 171096969 /nfs/dbraw/zinc/09/69/69/171096969.db2.gz LEQJNYHTZIHHIJ-NXEZZACHSA-N 0 3 214.309 0.751 20 0 BCADHN CC[C@@H]1COCCN1C(=O)CNC(C)C ZINC000037477200 171102410 /nfs/dbraw/zinc/10/24/10/171102410.db2.gz LKDNUBLMKKDSSI-SNVBAGLBSA-N 0 3 214.309 0.622 20 0 BCADHN C([C@@H]1CNCCO1)N1CCOCC2(CCC2)C1 ZINC000662279678 412071703 /nfs/dbraw/zinc/07/17/03/412071703.db2.gz AVFKSAYENPGKQE-LBPRGKRZSA-N 0 3 240.347 0.477 20 0 BCADHN CC[C@@](C)(NC[C@@H](O)C(C)(C)C)C(N)=O ZINC000308950739 171175235 /nfs/dbraw/zinc/17/52/35/171175235.db2.gz HJGUINDFDMZIAE-LDYMZIIASA-N 0 3 216.325 0.637 20 0 BCADHN CC[C@@](C)(NC[C@H](O)COC(C)(C)C)C(N)=O ZINC000301655209 171175843 /nfs/dbraw/zinc/17/58/43/171175843.db2.gz YXHUBKBLPOAKOI-JOYOIKCWSA-N 0 3 246.351 0.406 20 0 BCADHN CC[C@@](C)(NC[C@H](O)C(C)(C)C)C(N)=O ZINC000308950736 171176168 /nfs/dbraw/zinc/17/61/68/171176168.db2.gz HJGUINDFDMZIAE-GZMMTYOYSA-N 0 3 216.325 0.637 20 0 BCADHN CC[C@@](C)(NCCc1ccncc1)C(N)=O ZINC000304589639 171176220 /nfs/dbraw/zinc/17/62/20/171176220.db2.gz PECYWCYNFXLJBV-GFCCVEGCSA-N 0 3 221.304 0.868 20 0 BCADHN C[C@@H]1COCCN1C[C@@H]1CCC2(CNC2)O1 ZINC000662278300 412071229 /nfs/dbraw/zinc/07/12/29/412071229.db2.gz FCTQOXYQGAFPPP-MNOVXSKESA-N 0 3 226.320 0.228 20 0 BCADHN CC[C@@](C)(O)CN1CCN2C(=O)N(C)C[C@H]2C1 ZINC000365823090 171177564 /nfs/dbraw/zinc/17/75/64/171177564.db2.gz UHOCLKPWZPPFIK-CMPLNLGQSA-N 0 3 241.335 0.199 20 0 BCADHN CC[C@@](C)(O)CN(C)CCNC(=O)N(C)C ZINC000332498912 171178506 /nfs/dbraw/zinc/17/85/06/171178506.db2.gz HWEWNUKILGYDQG-LLVKDONJSA-N 0 3 231.340 0.350 20 0 BCADHN CC[C@H](C(=O)N(C)CC(C)(C)O)N(C)C ZINC000305051643 171220409 /nfs/dbraw/zinc/22/04/09/171220409.db2.gz ABDLTYPWLIZYPC-SECBINFHSA-N 0 3 216.325 0.556 20 0 BCADHN CC[C@H](C(=O)N(C)C1CC(OC)C1)N(C)C ZINC000340919090 171220578 /nfs/dbraw/zinc/22/05/78/171220578.db2.gz MHHWVHSGQLIXKW-VQXHTEKXSA-N 0 3 228.336 0.962 20 0 BCADHN CC[C@H](C(=O)N(C)Cc1ccnn1C)N(C)C ZINC000352542617 171222649 /nfs/dbraw/zinc/22/26/49/171222649.db2.gz RCKAVWLQFPXBIH-LLVKDONJSA-N 0 3 238.335 0.719 20 0 BCADHN CC[C@H](C(=O)N(CC)C[C@H](C)O)N(C)C ZINC000341369847 171222988 /nfs/dbraw/zinc/22/29/88/171222988.db2.gz MAUVGRSGGMJAAS-VHSXEESVSA-N 0 3 216.325 0.556 20 0 BCADHN CC[C@H](C(=O)N(C)[C@H]1CCC[C@@H]1O)N(C)C ZINC000341793401 171223243 /nfs/dbraw/zinc/22/32/43/171223243.db2.gz XMMQVTWUPODNSF-VWYCJHECSA-N 0 3 228.336 0.698 20 0 BCADHN CC[C@H](C(=O)N(CCO)CC(F)F)N(C)C ZINC000357388903 171223351 /nfs/dbraw/zinc/22/33/51/171223351.db2.gz DDWXVGDTWQCMSA-MRVPVSSYSA-N 0 3 238.278 0.413 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H](C)[C@@H](O)C1)N(C)C ZINC000305770890 171224166 /nfs/dbraw/zinc/22/41/66/171224166.db2.gz PDSFCFYTVZTBTA-MXWKQRLJSA-N 0 3 228.336 0.556 20 0 BCADHN CC[C@H](C(=O)N1CCCC[C@@H](CO)C1)N(C)C ZINC000371278736 171224861 /nfs/dbraw/zinc/22/48/61/171224861.db2.gz CGTMJDMEJIMMRX-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@](F)(CO)C1)N(C)C ZINC000338736108 171225965 /nfs/dbraw/zinc/22/59/65/171225965.db2.gz HHAUKINXVUHKGN-KOLCDFICSA-N 0 3 232.299 0.260 20 0 BCADHN CC[C@H](C(=O)NCCC(=O)NC(C)C)N(C)C ZINC000338195974 171227038 /nfs/dbraw/zinc/22/70/38/171227038.db2.gz QPJHOOOXQICDSA-SNVBAGLBSA-N 0 3 243.351 0.358 20 0 BCADHN CC[C@H](C(=O)NC1(C(=O)OC)CCC1)N(C)C ZINC000332064727 171227444 /nfs/dbraw/zinc/22/74/44/171227444.db2.gz REBQWFASSYXHJM-SECBINFHSA-N 0 3 242.319 0.539 20 0 BCADHN CC[C@H](C(=O)NCCOCC1CC1)N(C)C ZINC000338969730 171228575 /nfs/dbraw/zinc/22/85/75/171228575.db2.gz CKXYFJLIOBHWME-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H](C(=O)NCCN1CCC1)N(C)C ZINC000339010851 171228799 /nfs/dbraw/zinc/22/87/99/171228799.db2.gz MGYPIWMCTNFXTO-SNVBAGLBSA-N 0 3 213.325 0.149 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](O)C(C)(C)C)N(C)C ZINC000305116699 171229075 /nfs/dbraw/zinc/22/90/75/171229075.db2.gz ADHCDZAEDQNKDD-NXEZZACHSA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@H](C(=O)NC[C@@]1(O)CCC[C@@H]1C)N(C)C ZINC000359826622 171229711 /nfs/dbraw/zinc/22/97/11/171229711.db2.gz BSTNNIBXNKYUTJ-LOWVWBTDSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCC[C@H]1O)N(C)C ZINC000305065391 171230010 /nfs/dbraw/zinc/23/00/10/171230010.db2.gz IIPHDVCHWPTFCT-HBNTYKKESA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)NCc1ccnc(C)n1)N(C)C ZINC000124899485 171230186 /nfs/dbraw/zinc/23/01/86/171230186.db2.gz PUNVTURISVTTBQ-LLVKDONJSA-N 0 3 236.319 0.741 20 0 BCADHN CC[C@H](C(=O)NC[C@]1(O)CCC[C@@H]1C)N(C)C ZINC000359826621 171230597 /nfs/dbraw/zinc/23/05/97/171230597.db2.gz BSTNNIBXNKYUTJ-DMDPSCGWSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)NCc1ccn(C)n1)N(C)C ZINC000330548550 171230725 /nfs/dbraw/zinc/23/07/25/171230725.db2.gz DBOGCMGJRAPCNZ-SNVBAGLBSA-N 0 3 224.308 0.377 20 0 BCADHN CC[C@H](C(=O)NCc1cnn(CC)c1)N(C)C ZINC000268871940 171231027 /nfs/dbraw/zinc/23/10/27/171231027.db2.gz UMZYKJHZFAPMJP-LLVKDONJSA-N 0 3 238.335 0.859 20 0 BCADHN CC[C@H](C(=O)NC[C@]1(C)CCOC1)N(C)C ZINC000338970928 171231148 /nfs/dbraw/zinc/23/11/48/171231148.db2.gz CITZZMZRTNXPBW-PWSUYJOCSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1)N(C)C ZINC000338272782 171231665 /nfs/dbraw/zinc/23/16/65/171231665.db2.gz UNRHWIFEWOVOOU-ZYHUDNBSSA-N 0 3 239.363 0.680 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)CN(C)C)N(C)C ZINC000346134257 171232616 /nfs/dbraw/zinc/23/26/16/171232616.db2.gz BZYRBRXOTBXKEW-NXEZZACHSA-N 0 3 215.341 0.393 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)c1nc(C)no1)N(C)C ZINC000330418209 171233025 /nfs/dbraw/zinc/23/30/25/171233025.db2.gz FCUZSEQMEJXNEL-VXNVDRBHSA-N 0 3 240.307 0.895 20 0 BCADHN CC[C@H](C(=O)N[C@H]1[C@@H]2COC[C@@H]21)N(CC)CC ZINC000357970558 171233212 /nfs/dbraw/zinc/23/32/12/171233212.db2.gz REPXGRRVDYMENA-KXNHARMFSA-N 0 3 240.347 0.868 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)CC(C)(C)O)N(C)C ZINC000332476495 171233389 /nfs/dbraw/zinc/23/33/89/171233389.db2.gz AKHWTURGMNOKRP-NXEZZACHSA-N 0 3 230.352 0.992 20 0 BCADHN CC[C@H](C(N)=O)N(C)CCCn1ccnc1 ZINC000124311092 171242603 /nfs/dbraw/zinc/24/26/03/171242603.db2.gz HMPJANOBJCHQAQ-SNVBAGLBSA-N 0 3 224.308 0.469 20 0 BCADHN CC[C@H](C(N)=O)N(C)CCCSC ZINC000301039653 171242974 /nfs/dbraw/zinc/24/29/74/171242974.db2.gz YRVIYFLDEGVELI-MRVPVSSYSA-N 0 3 204.339 0.935 20 0 BCADHN CC[C@H](C(N)=O)N1CCC(COC)CC1 ZINC000069704924 171243249 /nfs/dbraw/zinc/24/32/49/171243249.db2.gz QVHWKHGDXUEUAI-SNVBAGLBSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@H](COC)C1 ZINC000226562827 171243811 /nfs/dbraw/zinc/24/38/11/171243811.db2.gz QWBQHJAKLCISEI-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H](N2CCCC2)C1 ZINC000061858109 171244824 /nfs/dbraw/zinc/24/48/24/171244824.db2.gz UMALDAXESRLQII-WDEREUQCSA-N 0 3 225.336 0.420 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000369378201 171245513 /nfs/dbraw/zinc/24/55/13/171245513.db2.gz QXIUYUKVNFRNBE-GZBOUJLJSA-N 0 3 226.320 0.343 20 0 BCADHN CC[C@H](C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358070126 171251943 /nfs/dbraw/zinc/25/19/43/171251943.db2.gz ULEZHQIFMMYLSA-GXSJLCMTSA-N 0 3 214.309 0.215 20 0 BCADHN CC[C@H](C)CN(C)C(=O)C(C)S(C)(=O)=O ZINC000340673014 171270662 /nfs/dbraw/zinc/27/06/62/171270662.db2.gz XSYUTGVCLALKTJ-DTWKUNHWSA-N 0 3 235.349 0.924 20 0 BCADHN CC[C@H](C)CN(C)CC(=O)NCCC(=O)OC ZINC000111253490 171272353 /nfs/dbraw/zinc/27/23/53/171272353.db2.gz GUIQBUNLELVVAG-JTQLQIEISA-N 0 3 244.335 0.644 20 0 BCADHN CC[C@H](C)CN1CCN2C(=O)N(C)C(=O)[C@H]2C1 ZINC000378125466 171281453 /nfs/dbraw/zinc/28/14/53/171281453.db2.gz JGRKSEKQFUJAMU-VHSXEESVSA-N 0 3 239.319 0.611 20 0 BCADHN CC[C@H](C)N(CCO)CC(=O)NCCCOC ZINC000310400145 171313905 /nfs/dbraw/zinc/31/39/05/171313905.db2.gz UHXDUTNXPQSQAI-NSHDSACASA-N 0 3 246.351 0.232 20 0 BCADHN CC[C@@H](C)NC(=O)CN(CCO)[C@@H](C)CC ZINC000309359901 171313974 /nfs/dbraw/zinc/31/39/74/171313974.db2.gz ZDHNYYQGGDPAAC-MNOVXSKESA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@H](C)NC(=O)CN1CCCC[C@H](CO)C1 ZINC000374038421 171324664 /nfs/dbraw/zinc/32/46/64/171324664.db2.gz AUBYOUMNIUDJGH-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C)NC(=O)CN1CCC[C@H]1CCO ZINC000303740620 171325406 /nfs/dbraw/zinc/32/54/06/171325406.db2.gz DHRRIKAFCMKEJE-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000045857124 171332636 /nfs/dbraw/zinc/33/26/36/171332636.db2.gz XEHGURUFSIBZEE-NKWVEPMBSA-N 0 3 207.295 0.334 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N1C[C@H](C)[C@H](CO)C1 ZINC000362093679 171334491 /nfs/dbraw/zinc/33/44/91/171334491.db2.gz FPBOYRBALXMGBG-BJDJZHNGSA-N 0 3 242.363 0.850 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000142793959 171334726 /nfs/dbraw/zinc/33/47/26/171334726.db2.gz PGNAZAIGCKXQBT-GUBZILKMSA-N 0 3 243.351 0.389 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N1CC[C@@H]([C@@H](C)O)C1 ZINC000226480215 171334944 /nfs/dbraw/zinc/33/49/44/171334944.db2.gz NSIIZELDRHDYCE-NNYUYHANSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@H](C)[C@@H](C)NC(=O)[C@H](CN)OC ZINC000300378513 171363573 /nfs/dbraw/zinc/36/35/73/171363573.db2.gz UZWUJUNFWYPTJQ-YIZRAAEISA-N 0 3 202.298 0.511 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCCOCC1 ZINC000061920539 171370236 /nfs/dbraw/zinc/37/02/36/171370236.db2.gz RURIIXUXPWIOIO-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726767 171371401 /nfs/dbraw/zinc/37/14/01/171371401.db2.gz DBBJGEUQUUHWJV-HOSYDEDBSA-N 0 3 239.363 0.713 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCCC(=O)N(C)C ZINC000237064037 171371588 /nfs/dbraw/zinc/37/15/88/171371588.db2.gz DGVLWOZVQCBFRS-GXSJLCMTSA-N 0 3 243.351 0.344 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)Nc1nncs1 ZINC000039407742 171372951 /nfs/dbraw/zinc/37/29/51/171372951.db2.gz XZJCBRQVHFDCQQ-NTSWFWBYSA-N 0 3 214.294 0.850 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@@]1(F)CCNC1 ZINC000305101427 171377526 /nfs/dbraw/zinc/37/75/26/171377526.db2.gz BWHSCLCXYGVUJM-ATZCPNFKSA-N 0 3 232.299 0.211 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@@H](N)C(C)C ZINC000236978308 171377635 /nfs/dbraw/zinc/37/76/35/171377635.db2.gz CUVHWXBVPGZJLP-GUBZILKMSA-N 0 3 216.325 0.493 20 0 BCADHN CC[C@H](C)[C@H](C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358086169 171384466 /nfs/dbraw/zinc/38/44/66/171384466.db2.gz ZEGCUTAVPQLRNI-GVXVVHGQSA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)C[C@@H]1CCOC1 ZINC000236992168 171392849 /nfs/dbraw/zinc/39/28/49/171392849.db2.gz VPWWYTUWPZBKCY-DCAQKATOSA-N 0 3 228.336 0.855 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)C[C@H]1CCCO1 ZINC000042465693 171393215 /nfs/dbraw/zinc/39/32/15/171393215.db2.gz GREWMQCSEMONAI-AXFHLTTASA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)C[C@@H](C)C(=O)OC ZINC000037823496 171393624 /nfs/dbraw/zinc/39/36/24/171393624.db2.gz UHFKHRJOOSFLCM-AEJSXWLSSA-N 0 3 244.335 0.627 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000040457842 171394410 /nfs/dbraw/zinc/39/44/10/171394410.db2.gz LEGMXQKXJHIAHM-ZDCRXTMVSA-N 0 3 228.336 0.996 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCCC(=O)OC ZINC000040832131 171394494 /nfs/dbraw/zinc/39/44/94/171394494.db2.gz RTNAJDZNGAMIJK-WPRPVWTQSA-N 0 3 230.308 0.429 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1csc(=O)[nH]1 ZINC000226684623 171395841 /nfs/dbraw/zinc/39/58/41/171395841.db2.gz RCVINRKQYZCAHT-XPUUQOCRSA-N 0 3 243.332 0.426 20 0 BCADHN CC(C)NCC(=O)NC[C@@H](C)Cn1cccn1 ZINC000662386612 412140173 /nfs/dbraw/zinc/14/01/73/412140173.db2.gz LBPVWIHABCKDLS-LLVKDONJSA-N 0 3 238.335 0.633 20 0 BCADHN COCC1(N(C)C[C@@H]2CNCCO2)CC1 ZINC000662298991 412087041 /nfs/dbraw/zinc/08/70/41/412087041.db2.gz IGXXDUHUTXGSOJ-JTQLQIEISA-N 0 3 214.309 0.086 20 0 BCADHN N[C@@H]1CN(CC(=O)N2CCCCC2)CC[C@H]1F ZINC000662318951 412098236 /nfs/dbraw/zinc/09/82/36/412098236.db2.gz BVZONUBEZPKOCG-GHMZBOCLSA-N 0 3 243.326 0.370 20 0 BCADHN CN(C)CCNC(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000665111483 412099187 /nfs/dbraw/zinc/09/91/87/412099187.db2.gz AYYFPIKPTLUMME-BXKDBHETSA-N 0 3 226.320 0.479 20 0 BCADHN CCCCNC(=O)CN1CC[C@@H](F)[C@H](N)C1 ZINC000662322347 412100076 /nfs/dbraw/zinc/10/00/76/412100076.db2.gz VISXRHMMYSLPQZ-NXEZZACHSA-N 0 3 231.315 0.274 20 0 BCADHN CCN(C)C(=O)CCN1CC[C@@H](F)[C@H](N)C1 ZINC000662325142 412102539 /nfs/dbraw/zinc/10/25/39/412102539.db2.gz CKXVFQWTNVOBNC-NXEZZACHSA-N 0 3 231.315 0.226 20 0 BCADHN C[C@H](CN1CCOCC1)N1CC[C@@H](F)[C@H](N)C1 ZINC000662326175 412102556 /nfs/dbraw/zinc/10/25/56/412102556.db2.gz PZFSBPSYXJEJES-IJLUTSLNSA-N 0 3 245.342 0.078 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1CC[C@@H](F)[C@H](N)C1 ZINC000662324966 412102772 /nfs/dbraw/zinc/10/27/72/412102772.db2.gz GBWXNIVPSDLFRZ-HBNTYKKESA-N 0 3 245.342 0.613 20 0 BCADHN CC[C@H](CCO)CNC(=O)/C=C/CN(C)C ZINC000268634696 171423808 /nfs/dbraw/zinc/42/38/08/171423808.db2.gz MQSSQEXDKNAWTR-MVIFTORASA-N 0 3 228.336 0.629 20 0 BCADHN Cc1nnc([C@@H](C)N2CC[C@@H](F)[C@H](N)C2)[nH]1 ZINC000662326584 412103676 /nfs/dbraw/zinc/10/36/76/412103676.db2.gz WLMQRZBQQBYXDZ-FTLITQJKSA-N 0 3 227.287 0.545 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1c(C)n[nH]c1C ZINC000662336948 412108659 /nfs/dbraw/zinc/10/86/59/412108659.db2.gz KEFUIMBXYLQYFJ-MRVPVSSYSA-N 0 3 210.281 0.963 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1nncs1 ZINC000662367175 412126090 /nfs/dbraw/zinc/12/60/90/412126090.db2.gz DLSHWKJOVUENLZ-RXMQYKEDSA-N 0 3 200.267 0.475 20 0 BCADHN CC[C@H](NC)C(=O)Nc1nnc(C)s1 ZINC000662367764 412126211 /nfs/dbraw/zinc/12/62/11/412126211.db2.gz OPBSVWJAJOEXMZ-LURJTMIESA-N 0 3 214.294 0.783 20 0 BCADHN CC[C@H](NC)C(=O)Nc1cc(C)nn1C ZINC000662379009 412131132 /nfs/dbraw/zinc/13/11/32/412131132.db2.gz HZSRQKCOWBVUCP-QMMMGPOBSA-N 0 3 210.281 0.665 20 0 BCADHN O=C(C[C@H]1NCc2ccccc21)Nc1nc[nH]n1 ZINC000662378985 412131617 /nfs/dbraw/zinc/13/16/17/412131617.db2.gz HFCBPKNDUARTMQ-SNVBAGLBSA-N 0 3 243.270 0.978 20 0 BCADHN CC12CC(C1)CN2CCN1C(=O)CCC1=O ZINC000662381819 412133424 /nfs/dbraw/zinc/13/34/24/412133424.db2.gz GDTGWCVOLHDGQD-UHFFFAOYSA-N 0 3 222.288 0.620 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1cnn(CC)c1 ZINC000662384371 412136068 /nfs/dbraw/zinc/13/60/68/412136068.db2.gz XBTZZSDFPJPBHW-SECBINFHSA-N 0 3 210.281 0.840 20 0 BCADHN CNS(=O)(=O)CCCN1CC2CC1(C)C2 ZINC000662382766 412136280 /nfs/dbraw/zinc/13/62/80/412136280.db2.gz CCKIBLNKMMJRGR-UHFFFAOYSA-N 0 3 232.349 0.410 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000662383406 412136494 /nfs/dbraw/zinc/13/64/94/412136494.db2.gz IPCJSSSBLKOQRD-LLVKDONJSA-N 0 3 249.314 0.651 20 0 BCADHN CC[C@H](NC)C(=O)Nc1ccnn1CC ZINC000662447321 412177806 /nfs/dbraw/zinc/17/78/06/412177806.db2.gz RKMZEYUDRRZZAC-QMMMGPOBSA-N 0 3 210.281 0.840 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](C)NC)C[C@@H](C)O1 ZINC000662453822 412181288 /nfs/dbraw/zinc/18/12/88/412181288.db2.gz FTEVCKVBXZVZFH-UTLUCORTSA-N 0 3 214.309 0.620 20 0 BCADHN CC[C@H](N)C(=O)NCc1c(C)nn(C)c1C ZINC000086109890 171480099 /nfs/dbraw/zinc/48/00/99/171480099.db2.gz ACIGZSHVZCNDAL-JTQLQIEISA-N 0 3 224.308 0.390 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000662475640 412187940 /nfs/dbraw/zinc/18/79/40/412187940.db2.gz QLFXUVLFFJLINK-LNFKQOIKSA-N 0 3 240.347 0.914 20 0 BCADHN COC[C@@H]1CCCN1C(=O)CNC(C)C ZINC000662490150 412192321 /nfs/dbraw/zinc/19/23/21/412192321.db2.gz LOHBCCVUPCUNEL-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H](NC)C(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000662500520 412196173 /nfs/dbraw/zinc/19/61/73/412196173.db2.gz MQOUUWKLZWIDFH-HTQZYQBOSA-N 0 3 229.324 0.001 20 0 BCADHN CCCN(CC(=O)N(C)C)C(=O)[C@H](CC)NC ZINC000662508676 412199492 /nfs/dbraw/zinc/19/94/92/412199492.db2.gz ZGVHUVGOSQRAOH-JTQLQIEISA-N 0 3 243.351 0.311 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000662510714 412200394 /nfs/dbraw/zinc/20/03/94/412200394.db2.gz OWJFHOFIXBJOMX-AXFHLTTASA-N 0 3 228.336 0.914 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCCF ZINC000662514423 412201863 /nfs/dbraw/zinc/20/18/63/412201863.db2.gz OHSPWJAITOSANB-DTWKUNHWSA-N 0 3 202.273 0.945 20 0 BCADHN CC[C@@H](O)CN[C@@H](C)c1cnccc1N ZINC000665261767 412203312 /nfs/dbraw/zinc/20/33/12/412203312.db2.gz KWLKQRMZDJKVEO-DTWKUNHWSA-N 0 3 209.293 0.916 20 0 BCADHN CC[C@@H](O)CN[C@H](C)c1cnccc1N ZINC000665261768 412204088 /nfs/dbraw/zinc/20/40/88/412204088.db2.gz KWLKQRMZDJKVEO-RKDXNWHRSA-N 0 3 209.293 0.916 20 0 BCADHN CC(C)(NC(=O)c1cccc2c1CNC2)C(N)=O ZINC000662521728 412204135 /nfs/dbraw/zinc/20/41/35/412204135.db2.gz GQSMULRQIHCKKO-UHFFFAOYSA-N 0 3 247.298 0.284 20 0 BCADHN CC[C@H](NC)C(=O)Nc1ccnc(C)c1 ZINC000662524014 412204513 /nfs/dbraw/zinc/20/45/13/412204513.db2.gz ICPZOXHNHDCWHM-JTQLQIEISA-N 0 3 207.277 0.748 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)[C@H](C)NC ZINC000662530445 412205761 /nfs/dbraw/zinc/20/57/61/412205761.db2.gz PIRHZNZCZZHCKU-HRDYMLBCSA-N 0 3 202.298 0.118 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)[C@H](C)NC ZINC000662530456 412206011 /nfs/dbraw/zinc/20/60/11/412206011.db2.gz PIRHZNZCZZHCKU-VGMNWLOBSA-N 0 3 202.298 0.118 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1ccnc2ccnn21 ZINC000662528562 412206157 /nfs/dbraw/zinc/20/61/57/412206157.db2.gz TXMZSSZZGOKENP-MRVPVSSYSA-N 0 3 233.275 0.666 20 0 BCADHN CC(C)NCC(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000662536577 412208561 /nfs/dbraw/zinc/20/85/61/412208561.db2.gz NOSXGQJYNMNVLQ-JTQLQIEISA-N 0 3 241.335 0.098 20 0 BCADHN CCC[C@@H]1C(=O)NCCN1C(=O)[C@H](CC)NC ZINC000662536313 412209100 /nfs/dbraw/zinc/20/91/00/412209100.db2.gz TYGHNIVLRBDKJP-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CO[C@@H]1CC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000662395331 412144491 /nfs/dbraw/zinc/14/44/91/412144491.db2.gz FCPMSRCYAVYULW-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN COCc1cncc(C(=O)N2CCCNCC2)c1 ZINC000662395191 412144853 /nfs/dbraw/zinc/14/48/53/412144853.db2.gz CGBPOWFRXBFFQB-UHFFFAOYSA-N 0 3 249.314 0.664 20 0 BCADHN CC1(C)OC[C@@H]2C[C@@]21C(=O)N1CCCNCC1 ZINC000662395399 412146435 /nfs/dbraw/zinc/14/64/35/412146435.db2.gz GOBRGPKMXFHJQD-GWCFXTLKSA-N 0 3 238.331 0.623 20 0 BCADHN CNC(=O)[C@@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662399650 412148876 /nfs/dbraw/zinc/14/88/76/412148876.db2.gz YTNQBXVUFFMDHT-MRVPVSSYSA-N 0 3 247.298 0.154 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000182975698 487622431 /nfs/dbraw/zinc/62/24/31/487622431.db2.gz KXBIMFLQQQGOJS-DBIOUOCHSA-N 0 3 247.360 0.719 20 0 BCADHN CNC(=O)CCNC(=O)c1cccc2c1CNC2 ZINC000662411648 412155537 /nfs/dbraw/zinc/15/55/37/412155537.db2.gz FLXFITVSDFHWRS-UHFFFAOYSA-N 0 3 247.298 0.156 20 0 BCADHN CC[C@H](NC)C(=O)Nc1ccc(N)nc1 ZINC000662413607 412156702 /nfs/dbraw/zinc/15/67/02/412156702.db2.gz YRVSUIZTPUKXCY-QMMMGPOBSA-N 0 3 208.265 0.600 20 0 BCADHN C[C@H](N)C(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000365008296 412214048 /nfs/dbraw/zinc/21/40/48/412214048.db2.gz KLTJCGPCAINKGV-ZETCQYMHSA-N 0 3 249.249 0.692 20 0 BCADHN CC[C@H](N[C@H]1CCOC1(C)C)C(N)=O ZINC000336888264 171548978 /nfs/dbraw/zinc/54/89/78/171548978.db2.gz DZHVVBMZHRTCKW-YUMQZZPRSA-N 0 3 200.282 0.407 20 0 BCADHN CN1CCN(C(=O)C2CC3(CC3)C2)[C@H](CN)C1 ZINC000662427734 412166687 /nfs/dbraw/zinc/16/66/87/412166687.db2.gz BTRZHRVEAOKTOU-LLVKDONJSA-N 0 3 237.347 0.278 20 0 BCADHN CN(C)CCn1ccc(NC(=O)C2=CCC2)n1 ZINC000355571851 412168780 /nfs/dbraw/zinc/16/87/80/412168780.db2.gz DWTLKSNEYCEADM-UHFFFAOYSA-N 0 3 234.303 1.103 20 0 BCADHN CN1CC[C@@](O)(CNc2cc(C3CC3)ncn2)C1 ZINC000641489051 412255821 /nfs/dbraw/zinc/25/58/21/412255821.db2.gz KNTDAHNOZBHDDD-CYBMUJFWSA-N 0 3 248.330 0.833 20 0 BCADHN CN1CC[C@@H](C(=O)Nc2cc(C3CC3)n(C)n2)C1 ZINC000335844341 412256033 /nfs/dbraw/zinc/25/60/33/412256033.db2.gz ROLILFMXKPBMAQ-SNVBAGLBSA-N 0 3 248.330 1.188 20 0 BCADHN CN1CC[C@@](O)(CNc2nc3ccccc3o2)C1 ZINC000358355031 412256414 /nfs/dbraw/zinc/25/64/14/412256414.db2.gz PQMNSFVFSISEQD-CYBMUJFWSA-N 0 3 247.298 1.306 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)C[C@H]1COCCO1 ZINC000662656448 412259024 /nfs/dbraw/zinc/25/90/24/412259024.db2.gz DSBQYVKHFIHKRR-DCAQKATOSA-N 0 3 244.335 0.234 20 0 BCADHN CN[C@@H](C)C(=O)N(C)CC1=CCCOC1 ZINC000662661426 412261089 /nfs/dbraw/zinc/26/10/89/412261089.db2.gz CBZAFVFVTMNFCK-VIFPVBQESA-N 0 3 212.293 0.399 20 0 BCADHN CC(C)NCC(=O)N(C)CC1=CCCOC1 ZINC000662663326 412261972 /nfs/dbraw/zinc/26/19/72/412261972.db2.gz ZJJPJVHYYRAXTR-UHFFFAOYSA-N 0 3 226.320 0.790 20 0 BCADHN CN(CC1=CCCOC1)C(=O)[C@@H]1NCC1(C)C ZINC000662662749 412262844 /nfs/dbraw/zinc/26/28/44/412262844.db2.gz UVWFYVQHRYDMNP-NSHDSACASA-N 0 3 238.331 0.790 20 0 BCADHN C[C@H]1CN(C(=O)Nc2nncs2)[C@@H](C)CN1 ZINC000623058676 412266781 /nfs/dbraw/zinc/26/67/81/412266781.db2.gz IDSZESKNUJHHSA-BQBZGAKWSA-N 0 3 241.320 0.752 20 0 BCADHN [NH3+]CC12CC(C1)CN2C(=O)c1ccccc1[O-] ZINC000662674526 412267599 /nfs/dbraw/zinc/26/75/99/412267599.db2.gz BDMVNDHJEOWGDQ-UHFFFAOYSA-N 0 3 232.283 0.956 20 0 BCADHN CN[C@@H](C)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000662690197 412267670 /nfs/dbraw/zinc/26/76/70/412267670.db2.gz KOBYWQUZNZLLJE-NGZCFLSTSA-N 0 3 212.293 0.089 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)Nc2ccon2)CCN1C ZINC000335323692 412268684 /nfs/dbraw/zinc/26/86/84/412268684.db2.gz QVHWLARQDQLNML-IUCAKERBSA-N 0 3 238.291 1.279 20 0 BCADHN C[C@H]1C[C@H](Nc2cccnn2)CN1C1CC1 ZINC000381312511 412269491 /nfs/dbraw/zinc/26/94/91/412269491.db2.gz MAFGSUHPWCYYDF-UWVGGRQHSA-N 0 3 218.304 1.514 20 0 BCADHN C[C@H]1C[C@H](NCCNc2cnccn2)CO1 ZINC000647191816 412269575 /nfs/dbraw/zinc/26/95/75/412269575.db2.gz BWBXEZIIMQOUHN-UWVGGRQHSA-N 0 3 222.292 0.656 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000662690534 412271580 /nfs/dbraw/zinc/27/15/80/412271580.db2.gz OIYAHEXYAMQEFR-SRRSOLGSSA-N 0 3 240.347 0.855 20 0 BCADHN C[C@]12COC[C@H]1CN(C(=O)[C@@H](N)CC(F)F)C2 ZINC000662690518 412272110 /nfs/dbraw/zinc/27/21/10/412272110.db2.gz OFTKLAPUEXSMLW-FYBVGQRMSA-N 0 3 248.273 0.464 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000662696716 412274502 /nfs/dbraw/zinc/27/45/02/412274502.db2.gz SFKCKPNJOYKWAL-OUAUKWLOSA-N 0 3 228.336 0.996 20 0 BCADHN C[C@H]1[C@@H](NC(=O)Nc2ccon2)CCCN1C ZINC000350049601 412275587 /nfs/dbraw/zinc/27/55/87/412275587.db2.gz PFJOSTIJFZSAJD-IUCAKERBSA-N 0 3 238.291 1.279 20 0 BCADHN C[C@H]1[C@H](Nc2ccc(=O)n(C)n2)CCCN1C ZINC000413236147 412275791 /nfs/dbraw/zinc/27/57/91/412275791.db2.gz GMSOUZCHAJDHSG-VHSXEESVSA-N 0 3 236.319 0.675 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662711599 412279483 /nfs/dbraw/zinc/27/94/83/412279483.db2.gz NHLBNCPVIBMMTI-WOPDTQHZSA-N 0 3 240.347 0.855 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000423211836 412281978 /nfs/dbraw/zinc/28/19/78/412281978.db2.gz ZEXCXKBNYBEVNG-KQSJRHEJSA-N 0 3 238.331 0.811 20 0 BCADHN CNCC(=O)Nc1cc(CC(C)C)[nH]n1 ZINC000646426070 412289435 /nfs/dbraw/zinc/28/94/35/412289435.db2.gz IMRZDHYYJXWAAD-UHFFFAOYSA-N 0 3 210.281 0.766 20 0 BCADHN C[C@H](NC[C@@H]1CCC(=O)N1)c1cnccc1N ZINC000665274840 412217812 /nfs/dbraw/zinc/21/78/12/412217812.db2.gz ZKIDRNAQRVOQPX-IUCAKERBSA-N 0 3 234.303 0.423 20 0 BCADHN O=C1NCC[C@H]1N1CC[C@@H](C2CCC2)C1 ZINC000665288535 412233975 /nfs/dbraw/zinc/23/39/75/412233975.db2.gz PVAZIZSYAIVTBP-GHMZBOCLSA-N 0 3 208.305 0.997 20 0 BCADHN CO[C@H](CNC(=O)C1(N)CCC1)[C@@H]1CCOC1 ZINC000662615015 412241415 /nfs/dbraw/zinc/24/14/15/412241415.db2.gz COWTUKUMYPFSGM-NXEZZACHSA-N 0 3 242.319 0.036 20 0 BCADHN COC[C@H](CCNC(=O)[C@@H](N)CC(C)C)OC ZINC000662617108 412242944 /nfs/dbraw/zinc/24/29/44/412242944.db2.gz LCPSJQCNFIHSBL-QWRGUYRKSA-N 0 3 246.351 0.528 20 0 BCADHN COC[C@@H](CCNC(=O)[C@@H](N)CC(C)C)OC ZINC000662617106 412243471 /nfs/dbraw/zinc/24/34/71/412243471.db2.gz LCPSJQCNFIHSBL-MNOVXSKESA-N 0 3 246.351 0.528 20 0 BCADHN COC[C@@H](CCNC(=O)[C@H](N)CC(C)C)OC ZINC000662617105 412243508 /nfs/dbraw/zinc/24/35/08/412243508.db2.gz LCPSJQCNFIHSBL-GHMZBOCLSA-N 0 3 246.351 0.528 20 0 BCADHN CC[C@H](C(=O)N1CCO[C@@H](CC)C1)N(C)C ZINC000121517582 171651461 /nfs/dbraw/zinc/65/14/61/171651461.db2.gz HAISSVZPTVQMPT-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000662804286 412306395 /nfs/dbraw/zinc/30/63/95/412306395.db2.gz CXSLKNFSVKUAPX-MMWGEVLESA-N 0 3 238.331 0.668 20 0 BCADHN CNc1ccc(NC(=O)[C@@H](N)C2CCC2)cn1 ZINC000422542648 412311689 /nfs/dbraw/zinc/31/16/89/412311689.db2.gz QPMGFWBEEPKKDH-NSHDSACASA-N 0 3 234.303 1.189 20 0 BCADHN CNc1ccc(NC(=O)[C@@H](N)CC(F)F)cn1 ZINC000648143849 412312268 /nfs/dbraw/zinc/31/22/68/412312268.db2.gz UGCNXGFLDGQSMU-ZETCQYMHSA-N 0 3 244.245 1.044 20 0 BCADHN CNc1ccc(NC(=O)[C@@H]2NCC2(C)C)cn1 ZINC000644140685 412312334 /nfs/dbraw/zinc/31/23/34/412312334.db2.gz JMPCLHXRRCKRHD-JTQLQIEISA-N 0 3 234.303 1.060 20 0 BCADHN CCC1(O)CCN(C(=O)CNC(C)C)CC1 ZINC000662826920 412312885 /nfs/dbraw/zinc/31/28/85/412312885.db2.gz CYYYPZPEYHYBES-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@@H](OC)CC1 ZINC000662835093 412314177 /nfs/dbraw/zinc/31/41/77/412314177.db2.gz LCSIFWMXNCBCDM-ZJUUUORDSA-N 0 3 214.309 0.751 20 0 BCADHN Cc1c(CN)c(NC(=O)[C@H]2C[C@@H]2C)nn1C ZINC000662838825 412316472 /nfs/dbraw/zinc/31/64/72/412316472.db2.gz KOZCHRYQILMRNA-XPUUQOCRSA-N 0 3 222.292 0.782 20 0 BCADHN Cc1c(CN)c(NC(=O)[C@@H]2C[C@H]2C)nn1C ZINC000662838822 412316859 /nfs/dbraw/zinc/31/68/59/412316859.db2.gz KOZCHRYQILMRNA-HTRCEHHLSA-N 0 3 222.292 0.782 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@@]12C[C@@H]1CCC2 ZINC000662847346 412320000 /nfs/dbraw/zinc/32/00/00/412320000.db2.gz BFYUIGOYMRUDQW-UMNHJUIQSA-N 0 3 224.304 0.424 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@@H](CO)C1CCC1 ZINC000662848716 412320659 /nfs/dbraw/zinc/32/06/59/412320659.db2.gz FULNUWGLWZSEQJ-SFYZADRCSA-N 0 3 236.262 0.246 20 0 BCADHN N[C@H](C(=O)N[C@H](CO)C1CCC1)C1CCC1 ZINC000662852569 412323244 /nfs/dbraw/zinc/32/32/44/412323244.db2.gz LQFPLAHZDLELQJ-MNOVXSKESA-N 0 3 226.320 0.391 20 0 BCADHN COCCCCCNC(=O)COC1(C)CNC1 ZINC000219022931 412325763 /nfs/dbraw/zinc/32/57/63/412325763.db2.gz FVEIIQIAHXVQAR-UHFFFAOYSA-N 0 3 244.335 0.298 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC/C=C/CO ZINC000662856423 412325959 /nfs/dbraw/zinc/32/59/59/412325959.db2.gz TUKZHNHBJSZTDV-HXQNXIEXSA-N 0 3 200.282 0.025 20 0 BCADHN CC1(C)CCCN[C@H]1C(=O)NC/C=C\CO ZINC000662857607 412326354 /nfs/dbraw/zinc/32/63/54/412326354.db2.gz BMNVZOQYPSLLAD-XOULXFPDSA-N 0 3 226.320 0.429 20 0 BCADHN O=C(NC/C=C/CO)C1(NC2CC2)CCC1 ZINC000662857451 412326902 /nfs/dbraw/zinc/32/69/02/412326902.db2.gz BBKNLLMLOKZNBD-OWOJBTEDSA-N 0 3 224.304 0.326 20 0 BCADHN O=C(NC/C=C\CO)C1(NC2CC2)CCC1 ZINC000662857452 412327323 /nfs/dbraw/zinc/32/73/23/412327323.db2.gz BBKNLLMLOKZNBD-UPHRSURJSA-N 0 3 224.304 0.326 20 0 BCADHN CN(CC1=CCCOC1)C(=O)C1(N)CC1 ZINC000662873295 412330639 /nfs/dbraw/zinc/33/06/39/412330639.db2.gz WDLQHPDNTBIDIS-UHFFFAOYSA-N 0 3 210.277 0.283 20 0 BCADHN CN(CC1=CCCOC1)C(=O)[C@@H]1CCCCN1 ZINC000662871638 412331138 /nfs/dbraw/zinc/33/11/38/412331138.db2.gz BIRGJLYAYOVLJW-LBPRGKRZSA-N 0 3 238.331 0.934 20 0 BCADHN NCC(=O)N[C@@H]1COc2cc(F)ccc2C1 ZINC000662875777 412333431 /nfs/dbraw/zinc/33/34/31/412333431.db2.gz RRMMGWMXZATXFQ-VIFPVBQESA-N 0 3 224.235 0.204 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000662879962 412334887 /nfs/dbraw/zinc/33/48/87/412334887.db2.gz HNLBGUMWKPUNSQ-CWSCBRNRSA-N 0 3 240.347 0.855 20 0 BCADHN CC(F)(F)CNC(=O)COC1(C)CNC1 ZINC000662897022 412336169 /nfs/dbraw/zinc/33/61/69/412336169.db2.gz BJZZUUBWMNDFNB-UHFFFAOYSA-N 0 3 222.235 0.136 20 0 BCADHN CC(F)(F)CNC(=O)CNC[C@@H]1CCCO1 ZINC000662897100 412337591 /nfs/dbraw/zinc/33/75/91/412337591.db2.gz CSKKNRLRRIXIAV-QMMMGPOBSA-N 0 3 236.262 0.526 20 0 BCADHN CN(C)C1(C(=O)NC2CCN(C)CC2)CC1 ZINC000665509765 412340466 /nfs/dbraw/zinc/34/04/66/412340466.db2.gz VKGHAHKJQBTVIV-UHFFFAOYSA-N 0 3 225.336 0.291 20 0 BCADHN Cc1cc(NC(=O)CCOC2CNC2)no1 ZINC000514671541 412343046 /nfs/dbraw/zinc/34/30/46/412343046.db2.gz SNBHZDKLMMPWAG-UHFFFAOYSA-N 0 3 225.248 0.300 20 0 BCADHN CC1(OCC(=O)N2CC[C@H]3C[C@H]3C2)CNC1 ZINC000662915452 412344718 /nfs/dbraw/zinc/34/47/18/412344718.db2.gz YGJFZYPLQDQQGZ-UWVGGRQHSA-N 0 3 224.304 0.233 20 0 BCADHN NC1(C(=O)N2CC[C@H]3COC[C@@H]3C2)CCCC1 ZINC000662919992 412345700 /nfs/dbraw/zinc/34/57/00/412345700.db2.gz PUMZNGSKRKSAKS-QWRGUYRKSA-N 0 3 238.331 0.753 20 0 BCADHN NCC(=O)NCC(F)(F)c1ccc(F)cc1 ZINC000662922351 412345799 /nfs/dbraw/zinc/34/57/99/412345799.db2.gz RWXYVMYTILZPAT-UHFFFAOYSA-N 0 3 232.205 0.992 20 0 BCADHN COC(=O)c1cnc(NC[C@H](C)N(C)C)nc1 ZINC000341739952 412346656 /nfs/dbraw/zinc/34/66/56/412346656.db2.gz BSIDDTRTKQAIQW-QMMMGPOBSA-N 0 3 238.291 0.625 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@@H](COC)OC ZINC000665529786 412348997 /nfs/dbraw/zinc/34/89/97/412348997.db2.gz UTZRPIYPEKWSJG-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)c1nccn1C ZINC000662935213 412349253 /nfs/dbraw/zinc/34/92/53/412349253.db2.gz TUGYISZNHBIEPF-YUMQZZPRSA-N 0 3 210.281 0.335 20 0 BCADHN CN(C)C1(C(=O)NCCN2CCCC2)CC1 ZINC000665531732 412349512 /nfs/dbraw/zinc/34/95/12/412349512.db2.gz MIXFGMYWOXGSKA-UHFFFAOYSA-N 0 3 225.336 0.293 20 0 BCADHN O=C(Cc1cscn1)NCCN1CCCC1 ZINC000665531627 412349838 /nfs/dbraw/zinc/34/98/38/412349838.db2.gz IGMVKTNWXCWJGS-UHFFFAOYSA-N 0 3 239.344 0.898 20 0 BCADHN CCN1CCC(NC(=O)C2(N(C)C)CC2)CC1 ZINC000665530708 412350015 /nfs/dbraw/zinc/35/00/15/412350015.db2.gz ZQSUTYRXTKTMOC-UHFFFAOYSA-N 0 3 239.363 0.681 20 0 BCADHN CNCC(=O)NCc1cccc(OC)c1C ZINC000662946119 412351106 /nfs/dbraw/zinc/35/11/06/412351106.db2.gz AIUJHCLFVPXXJN-UHFFFAOYSA-N 0 3 222.288 0.839 20 0 BCADHN Cc1[nH]ccc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662943679 412351639 /nfs/dbraw/zinc/35/16/39/412351639.db2.gz AZMAXSPJJRFHAD-NXEZZACHSA-N 0 3 225.267 0.834 20 0 BCADHN CN(CC1=CCSC1)C(=O)C1(N)CC1 ZINC000662951838 412352661 /nfs/dbraw/zinc/35/26/61/412352661.db2.gz OHPYRVYBJLVLHZ-UHFFFAOYSA-N 0 3 212.318 0.609 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000663006866 412367876 /nfs/dbraw/zinc/36/78/76/412367876.db2.gz AOSQJVZBDIULJA-OIBJUYFYSA-N 0 3 236.262 0.606 20 0 BCADHN COCCCN(C)CCNc1cc(C)ncn1 ZINC000361097035 412359121 /nfs/dbraw/zinc/35/91/21/412359121.db2.gz NXEFIILNGWSWBC-UHFFFAOYSA-N 0 3 238.335 1.165 20 0 BCADHN CCOc1nc(C(=O)NC[C@H](C)N(C)C)co1 ZINC000665551207 412360260 /nfs/dbraw/zinc/36/02/60/412360260.db2.gz UZEHRTYDKQUXNB-QMMMGPOBSA-N 0 3 241.291 0.753 20 0 BCADHN COCC1(NC(=O)CN)CCCCC1 ZINC000662986828 412363259 /nfs/dbraw/zinc/36/32/59/412363259.db2.gz DJNJQEOFMXFKJG-UHFFFAOYSA-N 0 3 200.282 0.411 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CC2)C[C@](C)(C(F)F)O1 ZINC000663001664 412365178 /nfs/dbraw/zinc/36/51/78/412365178.db2.gz XKWYPMHUNKVWON-GMSGAONNSA-N 0 3 248.273 0.749 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662747934 412289684 /nfs/dbraw/zinc/28/96/84/412289684.db2.gz HFSPMMGGTCOEAB-NXEZZACHSA-N 0 3 231.315 0.224 20 0 BCADHN CN1CCCC[C@@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748464 412291704 /nfs/dbraw/zinc/29/17/04/412291704.db2.gz VHESOZWYASXIIY-GMTAPVOTSA-N 0 3 243.326 0.368 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000565218508 412296783 /nfs/dbraw/zinc/29/67/83/412296783.db2.gz YFXZIGQTRLVZOS-QMMMGPOBSA-N 0 3 238.335 1.545 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc(CC2CC2)[nH]n1 ZINC000634307904 412296874 /nfs/dbraw/zinc/29/68/74/412296874.db2.gz BRZFXPHQTNEGIU-ZETCQYMHSA-N 0 3 222.292 0.909 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cnc2n1CCC2 ZINC000662772397 412298144 /nfs/dbraw/zinc/29/81/44/412298144.db2.gz DVZMAYGCYMAGTM-VHSXEESVSA-N 0 3 248.330 0.652 20 0 BCADHN Cc1nccnc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000662776109 412299303 /nfs/dbraw/zinc/29/93/03/412299303.db2.gz UYFPKSYWIVFSPB-PSASIEDQSA-N 0 3 234.303 0.607 20 0 BCADHN NC1(C(=O)NCCn2cccn2)CC2(CCC2)C1 ZINC000662788236 412302709 /nfs/dbraw/zinc/30/27/09/412302709.db2.gz LFFDVGPGLOUYKK-UHFFFAOYSA-N 0 3 248.330 0.661 20 0 BCADHN CC[C@H]([NH2+]C)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000662790206 412303077 /nfs/dbraw/zinc/30/30/77/412303077.db2.gz MUCLEXYWFZJUBZ-LURJTMIESA-N 0 3 240.263 0.133 20 0 BCADHN CNCC(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000663008749 412368600 /nfs/dbraw/zinc/36/86/00/412368600.db2.gz NZMXKWKDQLTOGV-SECBINFHSA-N 0 3 222.235 0.088 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000663010585 412370244 /nfs/dbraw/zinc/37/02/44/412370244.db2.gz UETZBABDMPCGCY-MUWHJKNJSA-N 0 3 222.235 0.216 20 0 BCADHN CC12CC(C1)CN2C(=O)C(N)C(F)(F)F ZINC000663016394 412371538 /nfs/dbraw/zinc/37/15/38/412371538.db2.gz CHIQVOPNOPSSQH-PIJYJLRNSA-N 0 3 222.210 0.887 20 0 BCADHN CC12CC(C1)CN2C(=O)C(N)C(F)(F)F ZINC000663016392 412371546 /nfs/dbraw/zinc/37/15/46/412371546.db2.gz CHIQVOPNOPSSQH-NAJVVJGSSA-N 0 3 222.210 0.887 20 0 BCADHN CC1(C)Cc2n[nH]cc2CN(C(=O)C2(N)CC2)C1 ZINC000663019023 412372697 /nfs/dbraw/zinc/37/26/97/412372697.db2.gz FZPOYOIOKSFJMA-UHFFFAOYSA-N 0 3 248.330 0.812 20 0 BCADHN CC1(C)CN(C(=O)C2(N)CC2)[C@@H]1[C@@H]1CCCO1 ZINC000663023479 412373550 /nfs/dbraw/zinc/37/35/50/412373550.db2.gz XEUJCDALJYGEHE-VHSXEESVSA-N 0 3 238.331 0.894 20 0 BCADHN CCCN1CC[C@H](NC(=O)NCCOC)C1 ZINC000663238544 412398196 /nfs/dbraw/zinc/39/81/96/412398196.db2.gz WCOUMFSZDHHMNE-JTQLQIEISA-N 0 3 229.324 0.416 20 0 BCADHN N[C@@H]1CN(c2ncnc3[nH]ccc32)CC[C@H]1F ZINC000663277417 412406634 /nfs/dbraw/zinc/40/66/34/412406634.db2.gz ZYSTYBHKRBQEAC-RKDXNWHRSA-N 0 3 235.266 0.833 20 0 BCADHN C[C@@H](O)CN1CCN(Cc2cn[nH]c2)[C@H](C)C1 ZINC000671308137 487623729 /nfs/dbraw/zinc/62/37/29/487623729.db2.gz CTEXINCITQFRKM-GHMZBOCLSA-N 0 3 238.335 0.297 20 0 BCADHN CCc1ncc(CNC[C@H](O)COC)s1 ZINC000070589674 172018987 /nfs/dbraw/zinc/01/89/87/172018987.db2.gz VWUMSBCCIGAGKH-QMMMGPOBSA-N 0 3 230.333 0.802 20 0 BCADHN CCc1nnc(NC(=O)NCCN(C)C)s1 ZINC000180604519 172057545 /nfs/dbraw/zinc/05/75/45/172057545.db2.gz UWISWUJVULOJNM-UHFFFAOYSA-N 0 3 243.336 0.784 20 0 BCADHN CCc1noc(CC)c1CNC(=O)[C@H](C)N ZINC000121978864 172083753 /nfs/dbraw/zinc/08/37/53/172083753.db2.gz RICHXXCOWWGEDR-ZETCQYMHSA-N 0 3 225.292 0.763 20 0 BCADHN CCc1nocc1CNCCCNC(C)=O ZINC000339178244 172099936 /nfs/dbraw/zinc/09/99/36/172099936.db2.gz NAYZFXLXFLDCKQ-UHFFFAOYSA-N 0 3 225.292 0.853 20 0 BCADHN CCn1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)cn1 ZINC000237233406 172152949 /nfs/dbraw/zinc/15/29/49/172152949.db2.gz RBIOEQHDLZXHEA-UWVGGRQHSA-N 0 3 236.319 0.725 20 0 BCADHN CCn1cc(C(=O)NC[C@@H]2CCCN2C)cn1 ZINC000114380469 172154028 /nfs/dbraw/zinc/15/40/28/172154028.db2.gz CGSSOTDXJPYAHR-NSHDSACASA-N 0 3 236.319 0.727 20 0 BCADHN CCn1cc(C(=O)NC[C@H]2CCCN2C)cn1 ZINC000114380471 172154810 /nfs/dbraw/zinc/15/48/10/172154810.db2.gz CGSSOTDXJPYAHR-LLVKDONJSA-N 0 3 236.319 0.727 20 0 BCADHN CCn1cc(CCN(CCO)CCCO)cn1 ZINC000285236601 172158289 /nfs/dbraw/zinc/15/82/89/172158289.db2.gz YIUJWBJYALYDMD-UHFFFAOYSA-N 0 3 241.335 0.122 20 0 BCADHN CCn1cc(CCN(C)[C@H]2COC[C@@H]2O)cn1 ZINC000352795509 172158342 /nfs/dbraw/zinc/15/83/42/172158342.db2.gz DIGHALAGGWVLGG-RYUDHWBXSA-N 0 3 239.319 0.137 20 0 BCADHN CCn1cc(CCN(CCO)CCOC)cn1 ZINC000284819476 172159221 /nfs/dbraw/zinc/15/92/21/172159221.db2.gz AMMJLURPYQRZQX-UHFFFAOYSA-N 0 3 241.335 0.386 20 0 BCADHN CCn1cc(CNC(=O)/C=C/CN(C)C)cn1 ZINC000265610630 172166475 /nfs/dbraw/zinc/16/64/75/172166475.db2.gz CBYHLGPBFCRVGT-AATRIKPKSA-N 0 3 236.319 0.637 20 0 BCADHN CCn1cc(CNCCNC(=O)C2CC2)cn1 ZINC000134528043 172169915 /nfs/dbraw/zinc/16/99/15/172169915.db2.gz LYSAIYKBUWQFQJ-UHFFFAOYSA-N 0 3 236.319 0.519 20 0 BCADHN CCn1cc(CNCCCOCCO)cn1 ZINC000134667173 172170832 /nfs/dbraw/zinc/17/08/32/172170832.db2.gz LNUOLYSLJZWTJO-UHFFFAOYSA-N 0 3 227.308 0.392 20 0 BCADHN CCn1cc(CN[C@H]2CCC(=O)N(C)C2)cn1 ZINC000077900624 172175953 /nfs/dbraw/zinc/17/59/53/172175953.db2.gz VYSSPCRMFYSWTK-NSHDSACASA-N 0 3 236.319 0.613 20 0 BCADHN CCn1cc(NC(=O)[C@H]2CCCCN2)ccc1=O ZINC000037765928 172182494 /nfs/dbraw/zinc/18/24/94/172182494.db2.gz JTDQCKSLKWEXIM-LLVKDONJSA-N 0 3 249.314 0.949 20 0 BCADHN CCn1ccnc1C(=O)NCCN(C)C ZINC000279145001 172216615 /nfs/dbraw/zinc/21/66/15/172216615.db2.gz DPFMLUNSUHKQKE-UHFFFAOYSA-N 0 3 210.281 0.194 20 0 BCADHN CCn1cc([C@@H](C)NCCn2cncn2)cn1 ZINC000268822427 172192253 /nfs/dbraw/zinc/19/22/53/172192253.db2.gz MACJLXKGEWYOQB-SNVBAGLBSA-N 0 3 234.307 0.845 20 0 BCADHN CCn1cc([C@H](C)N[C@@H](CCO)COC)cn1 ZINC000223960806 172196996 /nfs/dbraw/zinc/19/69/96/172196996.db2.gz BEPGJYOIBMVGFF-JQWIXIFHSA-N 0 3 241.335 0.951 20 0 BCADHN CCn1cc([C@H](C)NC[C@H]2COCCO2)cn1 ZINC000044499928 172197023 /nfs/dbraw/zinc/19/70/23/172197023.db2.gz RTQQTNYFHWHASK-JQWIXIFHSA-N 0 3 239.319 0.969 20 0 BCADHN CCn1cccc(CN[C@@H]2CCOC2)c1=O ZINC000309917040 172200640 /nfs/dbraw/zinc/20/06/40/172200640.db2.gz QBPHSGKMOUMFRD-LLVKDONJSA-N 0 3 222.288 0.747 20 0 BCADHN CCn1ccnc(N(C)CCCN(C)C)c1=O ZINC000302005180 172210195 /nfs/dbraw/zinc/21/01/95/172210195.db2.gz KQQGJHMJZJOVDA-UHFFFAOYSA-N 0 3 238.335 0.651 20 0 BCADHN CCn1ccnc(NC2CCN(C)CC2)c1=O ZINC000061762790 172211226 /nfs/dbraw/zinc/21/12/26/172211226.db2.gz ZIUUPGBIJCYQOG-UHFFFAOYSA-N 0 3 236.319 0.769 20 0 BCADHN CCn1ccnc1C(=O)NC[C@H](C)N(C)C ZINC000291514073 172216228 /nfs/dbraw/zinc/21/62/28/172216228.db2.gz QUPNVSUWYIRJCY-VIFPVBQESA-N 0 3 224.308 0.583 20 0 BCADHN CCn1ccnc1CN[C@@H]1CN(C)C[C@@H]1C ZINC000309614725 172223643 /nfs/dbraw/zinc/22/36/43/172223643.db2.gz CMPAIJKPOQITJK-WDEREUQCSA-N 0 3 222.336 0.943 20 0 BCADHN CCn1ccnc1CNCCN(C)CCOC ZINC000061377581 172225117 /nfs/dbraw/zinc/22/51/17/172225117.db2.gz ZSYVKCZKWOBYGG-UHFFFAOYSA-N 0 3 240.351 0.571 20 0 BCADHN 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BCADHN COCCOCCN1C[C@H](O)C[C@H]1C ZINC000340903645 174354699 /nfs/dbraw/zinc/35/46/99/174354699.db2.gz IVTYPJWJHQGYCM-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN COCCOCCN1CC[C@@H](n2cccn2)C1 ZINC000291998887 174355357 /nfs/dbraw/zinc/35/53/57/174355357.db2.gz XGFXHPVRWCQCHQ-GFCCVEGCSA-N 0 3 239.319 0.793 20 0 BCADHN COCCOCCNC(=O)C1(N)CCCCC1 ZINC000044727262 174356731 /nfs/dbraw/zinc/35/67/31/174356731.db2.gz JGABKMQLLLUWFH-UHFFFAOYSA-N 0 3 244.335 0.427 20 0 BCADHN COCCOC[C@H](C)NC(=O)CN(C)C(C)C ZINC000359322379 174362487 /nfs/dbraw/zinc/36/24/87/174362487.db2.gz IODAQTAGDPVMHP-NSHDSACASA-N 0 3 246.351 0.494 20 0 BCADHN COCCOC[C@H](C)NCc1cncn1C ZINC000336756397 174362884 /nfs/dbraw/zinc/36/28/84/174362884.db2.gz GZZNYLYUVIUZLH-JTQLQIEISA-N 0 3 227.308 0.561 20 0 BCADHN COCCOC[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000353724799 174363393 /nfs/dbraw/zinc/36/33/93/174363393.db2.gz NGJXJMTVJJIOFS-QWRGUYRKSA-N 0 3 246.351 0.528 20 0 BCADHN COCCOCc1ccc(CNCCO)cc1 ZINC000342060807 174364166 /nfs/dbraw/zinc/36/41/66/174364166.db2.gz MDGCELDDZYLKNL-UHFFFAOYSA-N 0 3 239.315 0.932 20 0 BCADHN COCC[C@@H](C)N[C@H](CO)c1cnn(C)c1 ZINC000090884247 174386017 /nfs/dbraw/zinc/38/60/17/174386017.db2.gz VJNSNBRLGWSXEP-MWLCHTKSSA-N 0 3 227.308 0.468 20 0 BCADHN COCC[C@@H](CO)N[C@@H](C)c1cnn(C)c1 ZINC000300807777 174390147 /nfs/dbraw/zinc/39/01/47/174390147.db2.gz FLONELINGIOTNF-ONGXEEELSA-N 0 3 227.308 0.468 20 0 BCADHN COCC[C@@H](COC)NCc1c(C)cnn1C ZINC000353093467 174391218 /nfs/dbraw/zinc/39/12/18/174391218.db2.gz LTWAEBIGMQVEQN-NSHDSACASA-N 0 3 241.335 0.870 20 0 BCADHN COCC[C@@H](N)C(=O)N1CCc2ccccc2C1 ZINC000052790938 174391405 /nfs/dbraw/zinc/39/14/05/174391405.db2.gz BJRFWFZGNXEVOH-CYBMUJFWSA-N 0 3 248.326 0.935 20 0 BCADHN COCC[C@@H](N)C(=O)N1CC[C@@H](C)C1 ZINC000052809619 174391789 /nfs/dbraw/zinc/39/17/89/174391789.db2.gz CBBDMJJFTZZDRB-RKDXNWHRSA-N 0 3 200.282 0.219 20 0 BCADHN COCC[C@@H]1COCCN1C[C@@H]1CCOC1 ZINC000361519925 174398592 /nfs/dbraw/zinc/39/85/92/174398592.db2.gz RGWVLLANXSBDOK-NWDGAFQWSA-N 0 3 229.320 0.760 20 0 BCADHN COC[C@H](CNCc1cccn1C)OC ZINC000227708589 174566713 /nfs/dbraw/zinc/56/67/13/174566713.db2.gz MXSDGCOZZPLDAB-NSHDSACASA-N 0 3 212.293 0.776 20 0 BCADHN COC[C@H](O)CNCc1ccccc1F ZINC000070558642 174597958 /nfs/dbraw/zinc/59/79/58/174597958.db2.gz BNJODAFTBQMTHD-SNVBAGLBSA-N 0 3 213.252 0.923 20 0 BCADHN CO[C@@H]1CCCN(C(=O)/C=C/CN(C)C)C1 ZINC000265690394 174743049 /nfs/dbraw/zinc/74/30/49/174743049.db2.gz MYSFMELRDOZGRG-OKPNEXGHSA-N 0 3 226.320 0.742 20 0 BCADHN CO[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1N ZINC000331876118 174748072 /nfs/dbraw/zinc/74/80/72/174748072.db2.gz KMNXUBGHBOTJSF-DOLQZWNJSA-N 0 3 212.293 0.265 20 0 BCADHN CO[C@H](CN)C(=O)NCc1ccc(Cl)s1 ZINC000227385467 174857824 /nfs/dbraw/zinc/85/78/24/174857824.db2.gz JFZODHPQSVZQOO-SSDOTTSWSA-N 0 3 248.735 0.991 20 0 BCADHN COc1cc(OC)nc(NCCN(C)C)n1 ZINC000168432534 175012001 /nfs/dbraw/zinc/01/20/01/175012001.db2.gz AGZCPRZZKKKDCT-UHFFFAOYSA-N 0 3 226.280 0.467 20 0 BCADHN COc1ccc(CNC(=O)[C@H](C)N)c(F)c1 ZINC000083354511 175104595 /nfs/dbraw/zinc/10/45/95/175104595.db2.gz IOSKQGBKAUJHDE-ZETCQYMHSA-N 0 3 226.251 0.798 20 0 BCADHN COc1ccc(CNC(CO)CO)cc1Cl ZINC000083693217 175105865 /nfs/dbraw/zinc/10/58/65/175105865.db2.gz PVQHVUJCNAEOKG-UHFFFAOYSA-N 0 3 245.706 0.791 20 0 BCADHN COc1ccc(CN[C@H](C)CO)cc1O ZINC000035603707 175110778 /nfs/dbraw/zinc/11/07/78/175110778.db2.gz QIODMCQQMJGGEG-MRVPVSSYSA-N 0 3 211.261 0.871 20 0 BCADHN COc1ccc(CN[C@H](CCO)C(C)C)nn1 ZINC000283036206 175111120 /nfs/dbraw/zinc/11/11/20/175111120.db2.gz IAAWYAZZVBEYRV-LLVKDONJSA-N 0 3 239.319 0.982 20 0 BCADHN COc1ccc(CN[C@](C)(CO)C(C)C)nn1 ZINC000352889504 175112673 /nfs/dbraw/zinc/11/26/73/175112673.db2.gz ARCVVQZMIYDPIU-GFCCVEGCSA-N 0 3 239.319 0.982 20 0 BCADHN COc1ccc(F)cc1[C@@H](C)NC(=O)CN ZINC000037043519 175131968 /nfs/dbraw/zinc/13/19/68/175131968.db2.gz XHRKUHZOQSEQFU-SSDOTTSWSA-N 0 3 226.251 0.970 20 0 BCADHN COc1ccc(OC)c(CNC(=O)[C@@H](C)N)c1 ZINC000040856808 175165424 /nfs/dbraw/zinc/16/54/24/175165424.db2.gz GAVUVCYIXMZMJI-MRVPVSSYSA-N 0 3 238.287 0.667 20 0 BCADHN COc1ccc(OC)c([C@H](C)NC(=O)CN)c1 ZINC000035018179 175169070 /nfs/dbraw/zinc/16/90/70/175169070.db2.gz PZGAKACHNODWTR-QMMMGPOBSA-N 0 3 238.287 0.840 20 0 BCADHN COc1ccc([C@@H](CCO)NCCO)cc1 ZINC000182384569 175178466 /nfs/dbraw/zinc/17/84/66/175178466.db2.gz YSZGPBGBHKAHBN-GFCCVEGCSA-N 0 3 225.288 0.701 20 0 BCADHN COc1cccc(C(=O)N(C)CCC[NH3+])c1[O-] ZINC000019833999 175242220 /nfs/dbraw/zinc/24/22/20/175242220.db2.gz UTEJUMRJUUBNPZ-UHFFFAOYSA-N 0 3 238.287 0.822 20 0 BCADHN COc1cccc(CNC(=O)[C@@H](C)N)c1OC ZINC000237259917 175262409 /nfs/dbraw/zinc/26/24/09/175262409.db2.gz ZXGQRYUAOGSCIF-MRVPVSSYSA-N 0 3 238.287 0.667 20 0 BCADHN COc1cccc(CNCCCOCCO)n1 ZINC000191577803 175264926 /nfs/dbraw/zinc/26/49/26/175264926.db2.gz DYRGMLAJZLQIFM-UHFFFAOYSA-N 0 3 240.303 0.579 20 0 BCADHN COc1ccnc(CN2C[C@@H](C)[C@H](C(N)=O)C2)c1 ZINC000286218713 175360283 /nfs/dbraw/zinc/36/02/83/175360283.db2.gz OWZOVXLSMMRPTD-BXKDBHETSA-N 0 3 249.314 0.643 20 0 BCADHN CN(C)Cc1ccccc1NC(=O)[C@@H]1CC(=O)N1 ZINC000666271890 487631268 /nfs/dbraw/zinc/63/12/68/487631268.db2.gz JXDIVYZLBWPCNU-NSHDSACASA-N 0 3 247.298 0.575 20 0 BCADHN C[C@@H](C(=O)Nc1ncccc1[O-])C1C[NH2+]C1 ZINC000129364192 175622686 /nfs/dbraw/zinc/62/26/86/175622686.db2.gz BEQVWTBROUATFW-SSDOTTSWSA-N 0 3 221.260 0.581 20 0 BCADHN CC(C(=O)N[C@@H](C)CC1CC1)S(C)(=O)=O ZINC000112606612 175655725 /nfs/dbraw/zinc/65/57/25/175655725.db2.gz FSSLWVYUGDYBED-YUMQZZPRSA-N 0 3 233.333 0.724 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1 ZINC000286891678 175695917 /nfs/dbraw/zinc/69/59/17/175695917.db2.gz GFJYQXDXONFLBF-JTQLQIEISA-N 0 3 249.314 0.691 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000358516027 175696637 /nfs/dbraw/zinc/69/66/37/175696637.db2.gz BAPGVTBVMPNRIK-GARJFASQSA-N 0 3 243.351 0.755 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)C[C@H]1CCOC1 ZINC000358526138 175696889 /nfs/dbraw/zinc/69/68/89/175696889.db2.gz OHKZQCKDNNWEIJ-WDEREUQCSA-N 0 3 243.351 0.614 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H](C)c1ccon1 ZINC000355068699 175698491 /nfs/dbraw/zinc/69/84/91/175698491.db2.gz ALDZUDANOLFLOE-IUCAKERBSA-N 0 3 240.307 0.985 20 0 BCADHN C[C@@H](NCC(=O)NC(N)=O)c1ccccc1 ZINC000020035339 175863282 /nfs/dbraw/zinc/86/32/82/175863282.db2.gz XLEXQCGIEHVLQM-MRVPVSSYSA-N 0 3 221.260 0.532 20 0 BCADHN C[C@@H](NCCCN1CCOC1=O)c1cn[nH]c1 ZINC000275244334 175876721 /nfs/dbraw/zinc/87/67/21/175876721.db2.gz XQBZCSFHPBGUOI-SECBINFHSA-N 0 3 238.291 0.903 20 0 BCADHN C[C@@H](O)CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000085989722 175957489 /nfs/dbraw/zinc/95/74/89/175957489.db2.gz OGWVGMDLUPECPY-ZYHUDNBSSA-N 0 3 236.315 0.964 20 0 BCADHN C[C@@H](O)C[C@@H](C)NCc1cnc(N(C)C)nc1 ZINC000361027031 175987088 /nfs/dbraw/zinc/98/70/88/175987088.db2.gz AJNNOSYRBQIADU-NXEZZACHSA-N 0 3 238.335 0.792 20 0 BCADHN C[C@@H](Oc1cccnc1)C(=O)N1CCCNCC1 ZINC000178361984 176006093 /nfs/dbraw/zinc/00/60/93/176006093.db2.gz VELFKJXKMURJEN-LLVKDONJSA-N 0 3 249.314 0.671 20 0 BCADHN C[C@@H](c1ccccc1)[C@H](NCCO)C(N)=O ZINC000292123580 176022784 /nfs/dbraw/zinc/02/27/84/176022784.db2.gz IDTMZMQHYLLCCT-ONGXEEELSA-N 0 3 222.288 0.226 20 0 BCADHN C[C@@H](c1ccccn1)N1CCC[C@@](O)(C(N)=O)C1 ZINC000286101238 176028385 /nfs/dbraw/zinc/02/83/85/176028385.db2.gz IKQJSRDHKZHHDB-GWCFXTLKSA-N 0 3 249.314 0.455 20 0 BCADHN C[C@@H](c1cccnc1)N1C[C@H](O)C[C@H]1CO ZINC000372120817 176030128 /nfs/dbraw/zinc/03/01/28/176030128.db2.gz QFMSJQMZUKXODM-ZMLRMANQSA-N 0 3 222.288 0.570 20 0 BCADHN C[C@@H](N)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000037823917 176034217 /nfs/dbraw/zinc/03/42/17/176034217.db2.gz XRQDIYPNOYROII-BDAKNGLRSA-N 0 3 207.277 0.948 20 0 BCADHN C[C@@H](c1cnccn1)N1CC[C@](C)(C(N)=O)C1 ZINC000361571774 176036570 /nfs/dbraw/zinc/03/65/70/176036570.db2.gz ONGJWTLFOPMLQZ-CABZTGNLSA-N 0 3 234.303 0.735 20 0 BCADHN C[C@@H]1CCCCN1CCN1CCCS1(=O)=O ZINC000336511145 176071988 /nfs/dbraw/zinc/07/19/88/176071988.db2.gz FEGOXFVQCZVETO-LLVKDONJSA-N 0 3 246.376 0.896 20 0 BCADHN C[C@@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000019976696 176092318 /nfs/dbraw/zinc/09/23/18/176092318.db2.gz XKVPUHNSIIEBLR-LLVKDONJSA-N 0 3 225.336 0.150 20 0 BCADHN C[C@@H]1CCCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000091973020 176092918 /nfs/dbraw/zinc/09/29/18/176092918.db2.gz RBIIPKCXSWSYRM-MNOVXSKESA-N 0 3 241.335 0.416 20 0 BCADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCCO ZINC000341455630 176115035 /nfs/dbraw/zinc/11/50/35/176115035.db2.gz MKAJWRSRUDDLRD-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@@H]1CCC[C@@H](CO)N1CC(=O)N(C)C ZINC000305240090 176119450 /nfs/dbraw/zinc/11/94/50/176119450.db2.gz QSIDZFKVLVETAS-ZJUUUORDSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@@H]1CCC[C@@]1(O)CNCc1cnnn1C ZINC000328151124 176134793 /nfs/dbraw/zinc/13/47/93/176134793.db2.gz FGTODWNUVUSRKX-MWLCHTKSSA-N 0 3 224.308 0.456 20 0 BCADHN C[C@@H]1CCC[C@H](CN2CCO[C@@H](C(N)=O)C2)C1 ZINC000245614924 176137202 /nfs/dbraw/zinc/13/72/02/176137202.db2.gz PCWSFYFXVMWNJS-GRYCIOLGSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@@H]1CCC[C@H](CO)N1CCN1CCCC1=O ZINC000305627846 176139423 /nfs/dbraw/zinc/13/94/23/176139423.db2.gz LGDRHSUSVYQVRI-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H]1CCC[C@H](CO)N1CC(=O)N(C)C ZINC000305240086 176139606 /nfs/dbraw/zinc/13/96/06/176139606.db2.gz QSIDZFKVLVETAS-NXEZZACHSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)C[C@@H]1C ZINC000129818540 176156447 /nfs/dbraw/zinc/15/64/47/176156447.db2.gz PJWRFZSDBFHKAN-GRYCIOLGSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CCOC1 ZINC000336520065 176167069 /nfs/dbraw/zinc/16/70/69/176167069.db2.gz IHHVFEBPZKWOQJ-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H]1CCN(C[C@@H](O)COC(C)(C)C)C[C@@H]1O ZINC000357575957 176172117 /nfs/dbraw/zinc/17/21/17/176172117.db2.gz XQMIFHYHDKSGIH-UTUOFQBUSA-N 0 3 245.363 0.865 20 0 BCADHN C[C@@H]1CCN(C[C@@H](O)COC(C)(C)C)C[C@H]1O ZINC000357575956 176172810 /nfs/dbraw/zinc/17/28/10/176172810.db2.gz XQMIFHYHDKSGIH-IJLUTSLNSA-N 0 3 245.363 0.865 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(CO)cc1 ZINC000193574195 176184847 /nfs/dbraw/zinc/18/48/47/176184847.db2.gz ZRFGRKUDKCKYTE-ZWNOBZJWSA-N 0 3 248.326 0.793 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NCCn2ccnc2)C1 ZINC000126990108 176186222 /nfs/dbraw/zinc/18/62/22/176186222.db2.gz XZGMNAJQYLHFRK-GHMZBOCLSA-N 0 3 236.319 0.387 20 0 BCADHN C[C@@H]1CCOCCN1C[C@@H](O)Cn1cccn1 ZINC000367633731 176187903 /nfs/dbraw/zinc/18/79/03/176187903.db2.gz MYUFLEATTDVAQP-VXGBXAGGSA-N 0 3 239.319 0.355 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCCO ZINC000331183504 176198620 /nfs/dbraw/zinc/19/86/20/176198620.db2.gz IDIDOCYYCYZPDK-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000357906644 176199150 /nfs/dbraw/zinc/19/91/50/176199150.db2.gz DWCSKLUFONJGPH-YFVNTRNASA-N 0 3 238.331 0.620 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@H]1CO ZINC000340331171 176199182 /nfs/dbraw/zinc/19/91/82/176199182.db2.gz YRAXZDRLALAWDZ-UTUOFQBUSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@](C)(O)C1 ZINC000361437787 176199362 /nfs/dbraw/zinc/19/93/62/176199362.db2.gz PRPVUSZDWFIXKF-WZRBSPASSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H]1CC[C@@H](CN(C)[C@]2(CO)CCOC2)O1 ZINC000355320728 176201855 /nfs/dbraw/zinc/20/18/55/176201855.db2.gz RXJALKGVZVDJHC-WOPDTQHZSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@@H]1CC[C@@H](CN(C)CCOCCO)O1 ZINC000301054117 176202916 /nfs/dbraw/zinc/20/29/16/176202916.db2.gz ZSUISQPCUGSCLQ-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN C[C@@H]1CC[C@@H](CN2CCC[C@H]3C(=O)NC[C@H]32)O1 ZINC000374066044 176203234 /nfs/dbraw/zinc/20/32/34/176203234.db2.gz DFOGGWCFFGHYQF-WRWGMCAJSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H]1CC[C@@H](CN2CCN(CCO)[C@H](C)C2)O1 ZINC000355236929 176204136 /nfs/dbraw/zinc/20/41/36/176204136.db2.gz IEQVDJOIPZTVAE-UPJWGTAASA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H]1CC[C@H](CN2CC[C@H]3C(=O)NC[C@@H]3C2)O1 ZINC000368060270 176224835 /nfs/dbraw/zinc/22/48/35/176224835.db2.gz DXXHONKIIRLUJF-DDHJBXDOSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCc3n[nH]c(=O)cc3C2)O1 ZINC000276366557 176224906 /nfs/dbraw/zinc/22/49/06/176224906.db2.gz BVPOFHWBQKWUAJ-MWLCHTKSSA-N 0 3 249.314 0.696 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CCOCC2)C[C@H]1C ZINC000149748510 176243004 /nfs/dbraw/zinc/24/30/04/176243004.db2.gz OZLRTCRKMWTZEJ-NXEZZACHSA-N 0 3 226.320 0.609 20 0 BCADHN C[C@@H]1CN(C(=O)CN)C[C@H](c2ccccc2)O1 ZINC000237420687 176246319 /nfs/dbraw/zinc/24/63/19/176246319.db2.gz GOWCKGGTURKJNY-ZYHUDNBSSA-N 0 3 234.299 0.934 20 0 BCADHN C[C@@H]1CN(C(=O)CCn2ccnc2)CCN1 ZINC000083814224 176246599 /nfs/dbraw/zinc/24/65/99/176246599.db2.gz WOIXLCCKKGRVKF-SNVBAGLBSA-N 0 3 222.292 0.094 20 0 BCADHN C[C@@H]1CN(C(=O)CNC2CC2)CCCO1 ZINC000061920420 176247088 /nfs/dbraw/zinc/24/70/88/176247088.db2.gz OYAJUOVKWKMDGX-SECBINFHSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@@H]1CN(C(=O)COc2cccnc2)[C@H](C)CN1 ZINC000272603412 176247368 /nfs/dbraw/zinc/24/73/68/176247368.db2.gz REUPLTYDSBCQJZ-GHMZBOCLSA-N 0 3 249.314 0.669 20 0 BCADHN C[C@@H]1CN(C(=O)C[C@H]2CNCCO2)CCCO1 ZINC000091311884 176248373 /nfs/dbraw/zinc/24/83/73/176248373.db2.gz GFFHRGUSIOPCKN-MNOVXSKESA-N 0 3 242.319 0.002 20 0 BCADHN C[C@@H]1CN(C(=O)NC[C@H]2CCCO2)[C@H](C)CN1 ZINC000333847635 176251272 /nfs/dbraw/zinc/25/12/72/176251272.db2.gz WONCHSHSUXHEJV-GMTAPVOTSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CCCO2)[C@H](C)CN1 ZINC000062570546 176255026 /nfs/dbraw/zinc/25/50/26/176255026.db2.gz YADYLRYPZVVJPG-BBBLOLIVSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@@H]1CN(C)CCN1CCn1ccnc1 ZINC000336647298 176266778 /nfs/dbraw/zinc/26/67/78/176266778.db2.gz LZBGINPYNVQRKV-LLVKDONJSA-N 0 3 208.309 0.519 20 0 BCADHN C[C@@H]1CN(C)CCN1C(=O)[C@@H](N)CC(F)F ZINC000335568624 176266819 /nfs/dbraw/zinc/26/68/19/176266819.db2.gz RESPYFVFTUMQAW-SFYZADRCSA-N 0 3 235.278 0.131 20 0 BCADHN C[C@@H]1CN(C)CCN1C(=O)[C@H]1CCCCN1 ZINC000226401352 176267808 /nfs/dbraw/zinc/26/78/08/176267808.db2.gz HQUPWFBDANAVHJ-GHMZBOCLSA-N 0 3 225.336 0.291 20 0 BCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc[nH]n1 ZINC000120680039 176269748 /nfs/dbraw/zinc/26/97/48/176269748.db2.gz QLDPUCHLPNIASK-KOLCDFICSA-N 0 3 236.319 0.822 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCC(=O)NC(C)(C)C ZINC000309467642 176272099 /nfs/dbraw/zinc/27/20/99/176272099.db2.gz QHGSFWLCMXYOIH-ZJUUUORDSA-N 0 3 227.352 0.441 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCc1nnc(C2CC2)[nH]1 ZINC000333327192 176275016 /nfs/dbraw/zinc/27/50/16/176275016.db2.gz QLBBUWVTQPSTRR-SCZZXKLOSA-N 0 3 235.335 0.722 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1NCC1(S(C)(=O)=O)CC1 ZINC000309793443 176277098 /nfs/dbraw/zinc/27/70/98/176277098.db2.gz PQZIOBHCBGACJP-NXEZZACHSA-N 0 3 246.376 0.103 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cocn1 ZINC000268207674 176281141 /nfs/dbraw/zinc/28/11/41/176281141.db2.gz KDQIPCVOWAZNPN-PSASIEDQSA-N 0 3 235.287 0.887 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(C)nn1 ZINC000288649641 176281179 /nfs/dbraw/zinc/28/11/79/176281179.db2.gz ANMWLSZGJFCOSS-PSASIEDQSA-N 0 3 249.318 0.028 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)COC(F)F ZINC000353791907 176281249 /nfs/dbraw/zinc/28/12/49/176281249.db2.gz GLMVFEFAQWXMDN-VXNVDRBHSA-N 0 3 248.273 0.825 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnn(C)n1 ZINC000285261744 176281353 /nfs/dbraw/zinc/28/13/53/176281353.db2.gz MDIKXXVUURJUNM-KCJUWKMLSA-N 0 3 249.318 0.028 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)CCO ZINC000349169200 176281668 /nfs/dbraw/zinc/28/16/68/176281668.db2.gz AYQWBJMTBIYPFD-MWLCHTKSSA-N 0 3 241.335 0.103 20 0 BCADHN C[C@@H]1CN(CCCCO)C[C@@H](C)N1C ZINC000123587000 176287670 /nfs/dbraw/zinc/28/76/70/176287670.db2.gz NMIUGLMVYWWLIN-GHMZBOCLSA-N 0 3 200.326 0.783 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@@H](C)[C@H](O)C2)CCO1 ZINC000337296072 176290456 /nfs/dbraw/zinc/29/04/56/176290456.db2.gz JDSHDCBICNSTNX-JHJVBQTASA-N 0 3 242.363 0.410 20 0 BCADHN C[C@@H]1CN(CCN2CCOCC2)CCS1 ZINC000335915718 176290676 /nfs/dbraw/zinc/29/06/76/176290676.db2.gz AIHLXAXDEGCGOW-LLVKDONJSA-N 0 3 230.377 0.756 20 0 BCADHN C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1C ZINC000336555762 176290743 /nfs/dbraw/zinc/29/07/43/176290743.db2.gz PMFYVACZGCTTPQ-GHMZBOCLSA-N 0 3 246.376 0.610 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@@H](CO)C2)CCO1 ZINC000337409343 176291236 /nfs/dbraw/zinc/29/12/36/176291236.db2.gz KTJBGOQTUHMZCN-VXGBXAGGSA-N 0 3 228.336 0.021 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC000307938844 176296661 /nfs/dbraw/zinc/29/66/61/176296661.db2.gz SIGKSGDVUSZUKM-GJMOJQLCSA-N 0 3 227.226 0.612 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CN(C)C2CC2)[C@H](C)CO1 ZINC000336712448 176298510 /nfs/dbraw/zinc/29/85/10/176298510.db2.gz NUNXQRZFAMBHMH-NQBHXWOUSA-N 0 3 242.363 0.551 20 0 BCADHN C[C@@H]1CN(C[C@H](O)C(F)(F)F)[C@H](C)CN1C ZINC000359608411 176298772 /nfs/dbraw/zinc/29/87/72/176298772.db2.gz ZPVIDEZUZSVURJ-HLTSFMKQSA-N 0 3 240.269 0.934 20 0 BCADHN C[C@@H]1CN(Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC000351774180 176304081 /nfs/dbraw/zinc/30/40/81/176304081.db2.gz JVTWWYKVFWFGBW-SKDRFNHKSA-N 0 3 234.299 0.598 20 0 BCADHN C[C@@H]1CN([C@@H](C(N)=O)c2ccccc2)C[C@H]1CO ZINC000190895602 176314062 /nfs/dbraw/zinc/31/40/62/176314062.db2.gz KTQOPJRRSJHZEZ-KGYLQXTDSA-N 0 3 248.326 0.773 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1C[C@H](CO)[C@H](C)C1 ZINC000362075618 176314091 /nfs/dbraw/zinc/31/40/91/176314091.db2.gz IRBAXFPYDRTIJT-KXUCPTDWSA-N 0 3 226.320 0.214 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCCNC2=O)C[C@@H](C)N1C ZINC000336884049 176315062 /nfs/dbraw/zinc/31/50/62/176315062.db2.gz ADJSCZSYEXSAED-IJLUTSLNSA-N 0 3 239.363 0.680 20 0 BCADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccon1 ZINC000247560258 176322490 /nfs/dbraw/zinc/32/24/90/176322490.db2.gz ZYURDBYPGHRTPD-ZJUUUORDSA-N 0 3 235.287 0.983 20 0 BCADHN C[C@@H]1COCCN1CCN(C)[C@H]1CCOC1 ZINC000337179137 176335490 /nfs/dbraw/zinc/33/54/90/176335490.db2.gz LFZDOVJACKRJCV-NEPJUHHUSA-N 0 3 228.336 0.428 20 0 BCADHN C[C@@H]1COCCN1CCN(C)C1(CO)CC1 ZINC000353027488 176336517 /nfs/dbraw/zinc/33/65/17/176336517.db2.gz XLXXOEKOKASDLX-LLVKDONJSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@@H]1CSCCN1C(=O)[C@H](N)CC(F)F ZINC000309033784 176349756 /nfs/dbraw/zinc/34/97/56/176349756.db2.gz DMHRXKMPSYWWPI-RNFRBKRXSA-N 0 3 238.303 0.933 20 0 BCADHN C[C@@H]1CSCCN([C@@H]2COC[C@@H]2O)C1 ZINC000306570869 176350426 /nfs/dbraw/zinc/35/04/26/176350426.db2.gz ZNKREIVOTPQVKS-AEJSXWLSSA-N 0 3 217.334 0.431 20 0 BCADHN C[C@@H]1CSCCN1C[C@H](O)Cn1cccn1 ZINC000172595154 176351258 /nfs/dbraw/zinc/35/12/58/176351258.db2.gz HEDYKFJWQZQZKR-MNOVXSKESA-N 0 3 241.360 0.681 20 0 BCADHN C[C@@H]1CSC[C@@H]1N[C@H]1CCN(C)C1=O ZINC000307545927 176354222 /nfs/dbraw/zinc/35/42/22/176354222.db2.gz KZSOQTKLNCZQDJ-VGMNWLOBSA-N 0 3 214.334 0.558 20 0 BCADHN C[C@@H]1CSC[C@@H]1N[C@H]1CCNC1=O ZINC000307042157 176354230 /nfs/dbraw/zinc/35/42/30/176354230.db2.gz RZOWHZGSVYMZPL-CSMHCCOUSA-N 0 3 200.307 0.216 20 0 BCADHN C[C@@H]1CSC[C@H]1N[C@H]1CCCS(=O)(=O)C1 ZINC000336668004 176355391 /nfs/dbraw/zinc/35/53/91/176355391.db2.gz DYIRDWFAHCHLKF-KXUCPTDWSA-N 0 3 249.401 0.905 20 0 BCADHN C[C@@H]1CSC[C@H]1N[C@H]1CCCN(C)C1=O ZINC000309098869 176355449 /nfs/dbraw/zinc/35/54/49/176355449.db2.gz DUYQXSMGAUACBV-KXUCPTDWSA-N 0 3 228.361 0.948 20 0 BCADHN C[C@@H]1CSC[C@H]1N[C@H]1CCNC1=O ZINC000307042158 176356120 /nfs/dbraw/zinc/35/61/20/176356120.db2.gz RZOWHZGSVYMZPL-GJMOJQLCSA-N 0 3 200.307 0.216 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)N(C)CCN(C)C2CC2)CO1 ZINC000353489670 176356438 /nfs/dbraw/zinc/35/64/38/176356438.db2.gz PWFDYBUSWRANSD-GHMZBOCLSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](N(C)C)C2)CO1 ZINC000352492948 176357943 /nfs/dbraw/zinc/35/79/43/176357943.db2.gz NIKCNVLBPSWBNN-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)NCCN(C)C2CC2)CO1 ZINC000352528991 176358233 /nfs/dbraw/zinc/35/82/33/176358233.db2.gz AJMMUKSXOKNQSL-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2N)CCO1 ZINC000332137247 176369184 /nfs/dbraw/zinc/36/91/84/176369184.db2.gz LDOCCQGUZLUKEF-RGOKHQFPSA-N 0 3 212.293 0.265 20 0 BCADHN C[C@@H]1C[C@@H](CNC(=O)NCCN(C)C)CCO1 ZINC000356947216 176369419 /nfs/dbraw/zinc/36/94/19/176369419.db2.gz DWJQVQISVRGMLV-MNOVXSKESA-N 0 3 243.351 0.662 20 0 BCADHN C[C@@H]1C[C@@H](N(C)C(=O)c2cn[nH]c2)CCN1C ZINC000266053652 176371548 /nfs/dbraw/zinc/37/15/48/176371548.db2.gz GOUPXIPLUGTDBZ-KOLCDFICSA-N 0 3 236.319 0.964 20 0 BCADHN C[C@@H]1C[C@@H]1CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000355801709 176390120 /nfs/dbraw/zinc/39/01/20/176390120.db2.gz WHPFLTVJCANFGV-CKYFFXLPSA-N 0 3 226.320 0.215 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)NC[C@](C)(O)CN(C)C ZINC000337436220 176394136 /nfs/dbraw/zinc/39/41/36/176394136.db2.gz WRKWIIVDSUKGDU-FOGDFJRCSA-N 0 3 243.351 0.254 20 0 BCADHN C[C@H](CC(N)=O)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000361061250 176608084 /nfs/dbraw/zinc/60/80/84/176608084.db2.gz SLTGQTAICSOGDQ-OPRDCNLKSA-N 0 3 241.335 0.239 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1COc2ccccc21 ZINC000070069106 176752715 /nfs/dbraw/zinc/75/27/15/176752715.db2.gz QEHARZQAMVENCY-CBAPKCEASA-N 0 3 206.245 0.584 20 0 BCADHN C[C@@H](NC(=O)c1ccccc1[O-])[C@H](C)[NH3+] ZINC000117223457 176764125 /nfs/dbraw/zinc/76/41/25/176764125.db2.gz URLNFRSVAYJUBI-JGVFFNPUSA-N 0 3 208.261 0.858 20 0 BCADHN C[C@H](NC(=O)/C=C/CN(C)C)[C@H]1CCCO1 ZINC000265692519 176785325 /nfs/dbraw/zinc/78/53/25/176785325.db2.gz ZDNVOSGTNKVAAX-NAJRYUOPSA-N 0 3 226.320 0.788 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1ncc[nH]1 ZINC000668301085 487635807 /nfs/dbraw/zinc/63/58/07/487635807.db2.gz CUYITOPALRHMKB-UHFFFAOYSA-N 0 3 224.308 0.824 20 0 BCADHN C[C@H](NCCOCCO)c1cnn(C)c1 ZINC000044495538 176851344 /nfs/dbraw/zinc/85/13/44/176851344.db2.gz BXLXYBCQZVLHHY-VIFPVBQESA-N 0 3 213.281 0.080 20 0 BCADHN C[C@H](O)CN(CCO)CCOC(C)(C)C ZINC000336707852 176975731 /nfs/dbraw/zinc/97/57/31/176975731.db2.gz SBECPSOZWABOGO-JTQLQIEISA-N 0 3 219.325 0.477 20 0 BCADHN C[C@H](O)C[C@H](CNC(=O)CN)c1ccccc1 ZINC000237554338 177001559 /nfs/dbraw/zinc/00/15/59/177001559.db2.gz NCWPHOJNHWQTEK-CMPLNLGQSA-N 0 3 236.315 0.616 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1[C@H]1CCCNC1=O ZINC000336682384 177002638 /nfs/dbraw/zinc/00/26/38/177002638.db2.gz RQDNPMCVJKWFPN-AXFHLTTASA-N 0 3 226.320 0.500 20 0 BCADHN C[C@H](O)[C@@H]1CCCCN1CC(=O)N1CCCC1 ZINC000303974781 177008092 /nfs/dbraw/zinc/00/80/92/177008092.db2.gz AZHOIKRASNZOIM-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](O)[C@H]1CCN(Cc2cnc3cnccn23)C1 ZINC000272570890 177016099 /nfs/dbraw/zinc/01/60/99/177016099.db2.gz VYEZWTDOEKJJBO-QWRGUYRKSA-N 0 3 246.314 0.932 20 0 BCADHN C[C@@H](F)CCN1CCNC(=O)C[C@@H]1C ZINC000367554513 177062740 /nfs/dbraw/zinc/06/27/40/177062740.db2.gz UYGQRAGREAUMMC-BDAKNGLRSA-N 0 3 202.273 0.945 20 0 BCADHN C[C@H]1CC(=O)NCCN1C[C@H]1CCSC1 ZINC000367669424 177062963 /nfs/dbraw/zinc/06/29/63/177062963.db2.gz KSRHFZAIKZEPAF-VHSXEESVSA-N 0 3 228.361 0.950 20 0 BCADHN C[C@H]1CCCN(CCNC(=O)c2ccnnc2)C1 ZINC000154570411 177097700 /nfs/dbraw/zinc/09/77/00/177097700.db2.gz SNFYUUNAKPPGMW-NSHDSACASA-N 0 3 248.330 0.938 20 0 BCADHN C[C@H]1CN(CCNS(C)(=O)=O)CC[C@@H]1C ZINC000122810559 177160877 /nfs/dbraw/zinc/16/08/77/177160877.db2.gz QAHXBOYMEPNEHE-UWVGGRQHSA-N 0 3 234.365 0.514 20 0 BCADHN C[C@H]1CCCN1C(=O)[C@H]1C[C@H](F)CN1 ZINC000188540919 177108017 /nfs/dbraw/zinc/10/80/17/177108017.db2.gz PWCLBHXBZOXICX-XHNCKOQMSA-N 0 3 200.257 0.697 20 0 BCADHN C[C@H]1CCC[C@@H](CO)N1CC(=O)N(C)C ZINC000305240087 177120023 /nfs/dbraw/zinc/12/00/23/177120023.db2.gz QSIDZFKVLVETAS-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@H]1CCC[C@@H](CO)N1CCN1CCNC1=O ZINC000336718746 177120439 /nfs/dbraw/zinc/12/04/39/177120439.db2.gz RCFZRQCZRVBGDU-QWRGUYRKSA-N 0 3 241.335 0.247 20 0 BCADHN C[C@H]1CCC[C@@H](NC(=O)C(=O)NCCN)CC1 ZINC000235550186 177121420 /nfs/dbraw/zinc/12/14/20/177121420.db2.gz GFEURUJSRUPQCS-VHSXEESVSA-N 0 3 241.335 0.146 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)c1ccc[nH]c1=O ZINC000353999489 177156743 /nfs/dbraw/zinc/15/67/43/177156743.db2.gz LJBLLRFSKSCOCM-JTQLQIEISA-N 0 3 249.314 0.953 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)Cn1cccn1 ZINC000336520194 177157207 /nfs/dbraw/zinc/15/72/07/177157207.db2.gz JIJQNBKRBSBBSY-NSHDSACASA-N 0 3 236.319 0.436 20 0 BCADHN C[C@H]1CCN(C)CCN1c1ncnc2n[nH]cc21 ZINC000354087022 177157604 /nfs/dbraw/zinc/15/76/04/177157604.db2.gz WFSYZJRFWFIADL-VIFPVBQESA-N 0 3 246.318 0.883 20 0 BCADHN C[C@H]1CCNC(=O)[C@H]1NCCC1(O)CC1 ZINC000309103346 177173303 /nfs/dbraw/zinc/17/33/03/177173303.db2.gz GWLVQIAYDWRCCX-IUCAKERBSA-N 0 3 212.293 0.016 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCCOC1CCC1 ZINC000309515497 177173761 /nfs/dbraw/zinc/17/37/61/177173761.db2.gz YMMRNYNHFIMLJF-GXSJLCMTSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@H]1CC[C@@H](C(=O)NC2CCN(C)CC2)O1 ZINC000124309810 177181044 /nfs/dbraw/zinc/18/10/44/177181044.db2.gz RXGAPGIXLNTTRL-ONGXEEELSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NC(=O)NC1CC1 ZINC000123458940 177185625 /nfs/dbraw/zinc/18/56/25/177185625.db2.gz UIPCBCQLVVMXLQ-DTORHVGOSA-N 0 3 239.319 0.847 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN(C)CC1 ZINC000120123396 177186551 /nfs/dbraw/zinc/18/65/51/177186551.db2.gz NBAAHHHYJDJAQG-TXEJJXNPSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CC[C@@H]1C ZINC000308143435 177195802 /nfs/dbraw/zinc/19/58/02/177195802.db2.gz MNEGQKLMIHQENJ-YIZRAAEISA-N 0 3 205.323 0.808 20 0 BCADHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cnn(C)c1 ZINC000103283854 177197792 /nfs/dbraw/zinc/19/77/92/177197792.db2.gz WWOMSIXFGFOMMV-ONGXEEELSA-N 0 3 236.319 0.506 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)NC(=O)NC1CC1 ZINC000123459174 177198746 /nfs/dbraw/zinc/19/87/46/177198746.db2.gz UIPCBCQLVVMXLQ-IUCAKERBSA-N 0 3 239.319 0.847 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCNC1=O ZINC000123010233 177198903 /nfs/dbraw/zinc/19/89/03/177198903.db2.gz HYXHFQNYKSMLGQ-IUCAKERBSA-N 0 3 225.292 0.411 20 0 BCADHN C[C@H]1CC[C@H](N(C)CCS(=O)(=O)N(C)C)C1 ZINC000352420321 177203511 /nfs/dbraw/zinc/20/35/11/177203511.db2.gz BNBGXSWXFZIFEY-QWRGUYRKSA-N 0 3 248.392 0.998 20 0 BCADHN C[C@H]1CN(C(=O)/C=C/c2cnccn2)[C@@H](C)CN1 ZINC000272652153 177211310 /nfs/dbraw/zinc/21/13/10/177211310.db2.gz ZNXNGFAJWABTML-SEUFLZDSSA-N 0 3 246.314 0.699 20 0 BCADHN C[C@@H]1CN(C(=O)C(C)(C)N)C[C@H](C)O1 ZINC000040912424 177211737 /nfs/dbraw/zinc/21/17/37/177211737.db2.gz HHPXMRJFWZWENP-OCAPTIKFSA-N 0 3 200.282 0.360 20 0 BCADHN C[C@H]1CN(C(=O)C2(N)CCCC2)CCN1 ZINC000237572826 177212546 /nfs/dbraw/zinc/21/25/46/177212546.db2.gz ADMRQLFQDFWQBQ-VIFPVBQESA-N 0 3 211.309 0.078 20 0 BCADHN C[C@H]1CN(C(=O)C2CCN(C)CC2)C[C@@H]1CO ZINC000360839233 177214162 /nfs/dbraw/zinc/21/41/62/177214162.db2.gz WTBKAUBICYWQOV-CMPLNLGQSA-N 0 3 240.347 0.415 20 0 BCADHN C[C@H]1CN(C(=O)CNC2CC2)CCCO1 ZINC000061920421 177216473 /nfs/dbraw/zinc/21/64/73/177216473.db2.gz OYAJUOVKWKMDGX-VIFPVBQESA-N 0 3 212.293 0.376 20 0 BCADHN C[C@H]1CN(C(=O)COc2cccnc2)[C@@H](C)CN1 ZINC000272603416 177217847 /nfs/dbraw/zinc/21/78/47/177217847.db2.gz REUPLTYDSBCQJZ-QWRGUYRKSA-N 0 3 249.314 0.669 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1cccnc1 ZINC000086468011 177218377 /nfs/dbraw/zinc/21/83/77/177218377.db2.gz SHRRXKXSPRZLLB-WDEREUQCSA-N 0 3 233.315 0.833 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1cnn(C)c1 ZINC000272523863 177218797 /nfs/dbraw/zinc/21/87/97/177218797.db2.gz IHHXSOHPJGJBIE-VHSXEESVSA-N 0 3 236.319 0.171 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H](N)CC(F)F)CCCO1 ZINC000309340633 177222078 /nfs/dbraw/zinc/22/20/78/177222078.db2.gz VFURXVVBDIYAMD-YUMQZZPRSA-N 0 3 236.262 0.606 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)C(F)(F)F)C[C@H](C)N1 ZINC000353190683 177222141 /nfs/dbraw/zinc/22/21/41/177222141.db2.gz OPICBUIUPBUPGO-DSYKOEDSSA-N 0 3 239.241 0.085 20 0 BCADHN C[C@@H]1CN(C(=O)C(N)C(F)(F)F)C[C@H](C)N1 ZINC000353190683 177222142 /nfs/dbraw/zinc/22/21/42/177222142.db2.gz OPICBUIUPBUPGO-DSYKOEDSSA-N 0 3 239.241 0.085 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H](C)N1C ZINC000358719451 177223304 /nfs/dbraw/zinc/22/33/04/177223304.db2.gz ZHWRFMJCBBLBFK-TUAOUCFPSA-N 0 3 239.363 0.632 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc(=O)n(C)c1 ZINC000237642233 177226732 /nfs/dbraw/zinc/22/67/32/177226732.db2.gz MSQVUEWPSYSMBC-VHSXEESVSA-N 0 3 249.314 0.208 20 0 BCADHN C[C@H]1CN(C(=O)c2cc[nH]n2)CCN(C2CC2)C1 ZINC000295435890 177226748 /nfs/dbraw/zinc/22/67/48/177226748.db2.gz VGXCDGSQWXHJPJ-SNVBAGLBSA-N 0 3 248.330 0.966 20 0 BCADHN C[C@H]1CN(C(=O)c2ccn[nH]2)CCN(C2CC2)C1 ZINC000295435890 177226749 /nfs/dbraw/zinc/22/67/49/177226749.db2.gz VGXCDGSQWXHJPJ-SNVBAGLBSA-N 0 3 248.330 0.966 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccn(C)c(=O)c1 ZINC000227355788 177228630 /nfs/dbraw/zinc/22/86/30/177228630.db2.gz MDWDDZIFHQPZAK-VHSXEESVSA-N 0 3 249.314 0.208 20 0 BCADHN C[C@H]1CN(C(=O)c2cnsn2)[C@@H](C)CN1 ZINC000083118348 177231403 /nfs/dbraw/zinc/23/14/03/177231403.db2.gz OVJCKDLJQGMZFJ-BQBZGAKWSA-N 0 3 226.305 0.361 20 0 BCADHN C[C@H]1CN(C)C[C@@H]1NCc1cccc(C(N)=O)c1 ZINC000358078397 177236263 /nfs/dbraw/zinc/23/62/63/177236263.db2.gz BVJMOXXGGHVDBP-GWCFXTLKSA-N 0 3 247.342 0.825 20 0 BCADHN C[C@H]1CN(CC(=O)N(C)CC2CC2)C[C@@H]1CO ZINC000362073565 177241566 /nfs/dbraw/zinc/24/15/66/177241566.db2.gz XSOLKDCZMBNULK-CMPLNLGQSA-N 0 3 240.347 0.415 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cncn1C ZINC000289915278 177241740 /nfs/dbraw/zinc/24/17/40/177241740.db2.gz VJQVNOSTFUDVLE-GXSJLCMTSA-N 0 3 248.330 0.633 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCCO1 ZINC000335158587 177242406 /nfs/dbraw/zinc/24/24/06/177242406.db2.gz VRUPGDBYNNNDCO-GXSJLCMTSA-N 0 3 239.319 0.816 20 0 BCADHN C[C@H]1CN(CC2(C)COC2)C[C@@]2(CCOC2)O1 ZINC000361511371 177245771 /nfs/dbraw/zinc/24/57/71/177245771.db2.gz RAMAFOXBTBABQM-WCQYABFASA-N 0 3 241.331 0.903 20 0 BCADHN C[C@H]1CN(CCCO)C[C@H](C)N1CCCO ZINC000337265913 177249560 /nfs/dbraw/zinc/24/95/60/177249560.db2.gz YUUQAFDCRYBSAJ-RYUDHWBXSA-N 0 3 230.352 0.146 20 0 BCADHN C[C@H]1CN(CCCO)CC2(CCOCC2)O1 ZINC000366099558 177250332 /nfs/dbraw/zinc/25/03/32/177250332.db2.gz UELNIZICWVGTSV-NSHDSACASA-N 0 3 229.320 0.639 20 0 BCADHN C[C@H]1CN(CCN2CCCC2=O)CC[C@H]1O ZINC000336661564 177250520 /nfs/dbraw/zinc/25/05/20/177250520.db2.gz HQXYXPCGKHQZBH-WDEREUQCSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@H]1CN(CCN2CCCC[C@@H]2CO)CCO1 ZINC000337338194 177251221 /nfs/dbraw/zinc/25/12/21/177251221.db2.gz PTYUNLJELRASDQ-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H]1CN(C)CCN1CCN1CCO[C@@H](C)C1 ZINC000337247689 177251339 /nfs/dbraw/zinc/25/13/39/177251339.db2.gz KJXHAAPYTKICAX-OLZOCXBDSA-N 0 3 241.379 0.343 20 0 BCADHN C[C@@H]1CN(CCN2CCNC2=O)C[C@H](C)N1C ZINC000336890116 177251435 /nfs/dbraw/zinc/25/14/35/177251435.db2.gz MWTFIDWDLKRKTN-PHIMTYICSA-N 0 3 240.351 0.036 20 0 BCADHN C[C@H]1CN(CCN2CCCC[C@H]2CO)CCO1 ZINC000337338195 177251709 /nfs/dbraw/zinc/25/17/09/177251709.db2.gz PTYUNLJELRASDQ-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H](O)CN1CCN(Cc2ccncc2)[C@@H](C)C1 ZINC000189562599 177255968 /nfs/dbraw/zinc/25/59/68/177255968.db2.gz NIBZLXOTWFOMNN-QWHCGFSZSA-N 0 3 249.358 0.969 20 0 BCADHN C[C@H]1CN(Cc2cnc3cnccn23)C[C@H]1CO ZINC000361660250 177269217 /nfs/dbraw/zinc/26/92/17/177269217.db2.gz JWOTUNUFKVFZBM-QWRGUYRKSA-N 0 3 246.314 0.790 20 0 BCADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccon1 ZINC000247560246 177279906 /nfs/dbraw/zinc/27/99/06/177279906.db2.gz ZYURDBYPGHRTPD-UWVGGRQHSA-N 0 3 235.287 0.983 20 0 BCADHN C[C@H]1CNCCN1C(=O)C1CCN(C)CC1 ZINC000126113971 177282734 /nfs/dbraw/zinc/28/27/34/177282734.db2.gz YXTPXBGUSXIROZ-JTQLQIEISA-N 0 3 225.336 0.149 20 0 BCADHN C[C@@H]1CN(C(=O)c2coc(CN)c2)[C@@H](C)CN1 ZINC000334147189 177286483 /nfs/dbraw/zinc/28/64/83/177286483.db2.gz SWNGSNIOBITDIR-BDAKNGLRSA-N 0 3 237.303 0.561 20 0 BCADHN C[C@H]1COCCN([C@@H]2CCCCNC2=O)C1 ZINC000336661499 177289512 /nfs/dbraw/zinc/28/95/12/177289512.db2.gz BTKYVLVMYZENNG-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H]1COCCN1CCN(C)[C@H]1CCOC1 ZINC000337179139 177290654 /nfs/dbraw/zinc/29/06/54/177290654.db2.gz LFZDOVJACKRJCV-RYUDHWBXSA-N 0 3 228.336 0.428 20 0 BCADHN C[C@H]1COCCN1CCN(C)[C@@H]1CCOC1 ZINC000337179138 177290843 /nfs/dbraw/zinc/29/08/43/177290843.db2.gz LFZDOVJACKRJCV-NWDGAFQWSA-N 0 3 228.336 0.428 20 0 BCADHN C[C@@H]1CN(CCN2CCOC[C@@H]2C)C[C@@H]1O ZINC000337177833 177291296 /nfs/dbraw/zinc/29/12/96/177291296.db2.gz JWIJTRZLUXYXQA-WOPDTQHZSA-N 0 3 228.336 0.020 20 0 BCADHN C[C@H]1COCCN1CCN1CCC[C@@H](O)CC1 ZINC000339774699 177291388 /nfs/dbraw/zinc/29/13/88/177291388.db2.gz DLJCCFRQSDBKBL-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@H]1COCC[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000305860979 177295852 /nfs/dbraw/zinc/29/58/52/177295852.db2.gz VNFVOLPXRMQEOV-WDEREUQCSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C/CN(C)C)[C@@H](C)CO1 ZINC000264665156 177300653 /nfs/dbraw/zinc/30/06/53/177300653.db2.gz WWQUPURWJASPGI-PFDYWKIBSA-N 0 3 226.320 0.740 20 0 BCADHN C[C@H]1CSC[C@@H]1NCC(=O)N(C)C1CC1 ZINC000309144276 177306204 /nfs/dbraw/zinc/30/62/04/177306204.db2.gz UQMKMTHJUKBQOT-WPRPVWTQSA-N 0 3 228.361 0.948 20 0 BCADHN C[C@H]1C[C@@H](C(=O)NCC2=CCN(C)CC2)CO1 ZINC000336315758 177308302 /nfs/dbraw/zinc/30/83/02/177308302.db2.gz RUDCIRQGPBLNLX-CMPLNLGQSA-N 0 3 238.331 0.790 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000346160825 177322963 /nfs/dbraw/zinc/32/29/63/177322963.db2.gz MPYMIDYNXWQNEM-LNFKQOIKSA-N 0 3 228.336 0.866 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cn(C)cn2)CN1C1CC1 ZINC000179074682 177329446 /nfs/dbraw/zinc/32/94/46/177329446.db2.gz UAZDSNJQJOCWLV-VHSXEESVSA-N 0 3 248.330 0.775 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cn[nH]c2)CN1C1CC1 ZINC000177056360 177329890 /nfs/dbraw/zinc/32/98/90/177329890.db2.gz NYQJMHYFHVVLSV-WCBMZHEXSA-N 0 3 234.303 0.765 20 0 BCADHN C[C@H]1C[C@@H](O)CN1CCN1CCCC1=O ZINC000336554178 177337613 /nfs/dbraw/zinc/33/76/13/177337613.db2.gz CQBUZXUIPFGLSN-VHSXEESVSA-N 0 3 212.293 0.064 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC000346160826 177360666 /nfs/dbraw/zinc/36/06/66/177360666.db2.gz MPYMIDYNXWQNEM-ZRUFSTJUSA-N 0 3 228.336 0.866 20 0 BCADHN C[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2N)CCO1 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CC(C)NCC(=O)N[C@@H]1CCS[C@H]1C ZINC000308550661 487679309 /nfs/dbraw/zinc/67/93/09/487679309.db2.gz WEYJHPDTICULIV-DTWKUNHWSA-N 0 3 216.350 0.995 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000054074284 487680759 /nfs/dbraw/zinc/68/07/59/487680759.db2.gz OJDLLVDXYOBNIP-WCBMZHEXSA-N 0 3 236.319 0.522 20 0 BCADHN CNCC(=O)NC[C@@H](O)C1CCCCC1 ZINC000151977011 487681219 /nfs/dbraw/zinc/68/12/19/487681219.db2.gz UPYNCYXJPZCROU-SNVBAGLBSA-N 0 3 214.309 0.263 20 0 BCADHN CNS(=O)(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000671674935 487682623 /nfs/dbraw/zinc/68/26/23/487682623.db2.gz YRQLQOZCKVFUNQ-NXEZZACHSA-N 0 3 249.380 0.303 20 0 BCADHN Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CCCN(C)C1 ZINC000675226256 487683158 /nfs/dbraw/zinc/68/31/58/487683158.db2.gz JMFFNRBWTQHUSH-JTQLQIEISA-N 0 3 249.314 0.920 20 0 BCADHN CC[C@@H](C)NC(=O)COC1(C)CNC1 ZINC000163071521 487683279 /nfs/dbraw/zinc/68/32/79/487683279.db2.gz DXVUFSLPAOBSKU-MRVPVSSYSA-N 0 3 200.282 0.280 20 0 BCADHN CN[C@@H](C)C(=O)N1CCCSCC1 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237.303 0.562 20 0 BCADHN CN(C[C@H]1CNCCO1)C[C@@H]1CCCCO1 ZINC000250365420 487730107 /nfs/dbraw/zinc/73/01/07/487730107.db2.gz FSKFQXVLMVMAEA-NWDGAFQWSA-N 0 3 228.336 0.476 20 0 BCADHN CN1CCN(C(=O)[C@@H]2CC=CCC2)[C@H](CN)C1 ZINC000250418646 487732089 /nfs/dbraw/zinc/73/20/89/487732089.db2.gz YNUWPRZIOVLLFY-VXGBXAGGSA-N 0 3 237.347 0.444 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000662851602 487737297 /nfs/dbraw/zinc/73/72/97/487737297.db2.gz YICROYAYXAXARB-GUBZILKMSA-N 0 3 212.293 0.504 20 0 BCADHN NC1(C(=O)NCCCCO)CC2(CCC2)C1 ZINC000662853254 487738282 /nfs/dbraw/zinc/73/82/82/487738282.db2.gz OHYFBKHJMCDJJR-UHFFFAOYSA-N 0 3 226.320 0.537 20 0 BCADHN CC(C)NCC(=O)N[C@@H](CO)C1CCC1 ZINC000662853593 487738887 /nfs/dbraw/zinc/73/88/87/487738887.db2.gz QVGXKNYVYWFGFH-JTQLQIEISA-N 0 3 214.309 0.262 20 0 BCADHN C[C@H](CCCO)CNC(=S)NCCN(C)C ZINC000840781554 585021686 /nfs/dbraw/zinc/02/16/86/585021686.db2.gz FTSZYTLPJROVGL-SNVBAGLBSA-N 0 3 247.408 0.421 20 0 BCADHN C[C@H](c1ccncc1)N1C[C@H](O)C[C@H]1CO ZINC000681167485 487740875 /nfs/dbraw/zinc/74/08/75/487740875.db2.gz TYAILZKVKZITAQ-ADEWGFFLSA-N 0 3 222.288 0.570 20 0 BCADHN Cc1c[nH]nc1C(=O)N1CCC[C@H]1CN(C)C ZINC000669600364 487740566 /nfs/dbraw/zinc/74/05/66/487740566.db2.gz PTXORPFNHYQXHN-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN Cc1c[nH]nc1C(=O)N(C)CCN1CCCC1 ZINC000669601428 487744739 /nfs/dbraw/zinc/74/47/39/487744739.db2.gz XEHQLAYYHHQYJV-UHFFFAOYSA-N 0 3 236.319 0.886 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cnco1 ZINC000681202844 487746402 /nfs/dbraw/zinc/74/64/02/487746402.db2.gz ZQONVJFIOCGIJA-UHFFFAOYSA-N 0 3 223.276 0.841 20 0 BCADHN CN(C[C@@H](O)C(C)(C)C)C[C@H]1COCCO1 ZINC000661609535 487747564 /nfs/dbraw/zinc/74/75/64/487747564.db2.gz BBAPRBLSMKWNMD-WDEREUQCSA-N 0 3 231.336 0.741 20 0 BCADHN CCc1nc(CN2CCN(CC)[C@H](C)C2)n[nH]1 ZINC000681210970 487749031 /nfs/dbraw/zinc/74/90/31/487749031.db2.gz PSERLYVUYRWRGF-SNVBAGLBSA-N 0 3 237.351 0.893 20 0 BCADHN C[C@@H]1CCCN(C[C@@H]2CNC(=O)O2)[C@@H]1CO ZINC000496620567 533689129 /nfs/dbraw/zinc/68/91/29/533689129.db2.gz CYRNYVGDHNZZDK-KXUCPTDWSA-N 0 3 228.292 0.188 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)NCC1(CO)CC1 ZINC000675612195 487752754 /nfs/dbraw/zinc/75/27/54/487752754.db2.gz JPSRLIBUXNQPTJ-QWRGUYRKSA-N 0 3 240.347 0.748 20 0 BCADHN CN(CCF)C(=O)NCCN(C)C1CC1 ZINC000838468541 585058875 /nfs/dbraw/zinc/05/88/75/585058875.db2.gz QUAYFSLCPVTJLP-UHFFFAOYSA-N 0 3 217.288 0.692 20 0 BCADHN CCSCCN1CCCN(C=O)CC1 ZINC000839019205 585087583 /nfs/dbraw/zinc/08/75/83/585087583.db2.gz PNSUOCVRVHRIKY-UHFFFAOYSA-N 0 3 216.350 0.904 20 0 BCADHN C/C=C/C(=O)NCCN(C)CCCOC ZINC000741726154 585117128 /nfs/dbraw/zinc/11/71/28/585117128.db2.gz DZRVANAOAIGTNY-GQCTYLIASA-N 0 3 214.309 0.647 20 0 BCADHN CCOc1nc(C(=O)NC[C@@H](C)N(C)C)co1 ZINC000681236227 487755269 /nfs/dbraw/zinc/75/52/69/487755269.db2.gz UZEHRTYDKQUXNB-MRVPVSSYSA-N 0 3 241.291 0.753 20 0 BCADHN CCN1CCC(N(C)C(=O)[C@H](C)N(C)C)CC1 ZINC000674263437 487756396 /nfs/dbraw/zinc/75/63/96/487756396.db2.gz IKQZDRSWUJIRBA-NSHDSACASA-N 0 3 241.379 0.879 20 0 BCADHN Cn1ccc(C(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000675634111 487756853 /nfs/dbraw/zinc/75/68/53/487756853.db2.gz KVDMEFXEOUSAGA-LLVKDONJSA-N 0 3 221.304 0.849 20 0 BCADHN CCN(C(=O)NC[C@H](C)OC)[C@@H]1CCN(C)C1 ZINC000666215807 487756883 /nfs/dbraw/zinc/75/68/83/487756883.db2.gz SMSBYUQCJOMOTF-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN Cn1ccc(C(=O)N[C@H]2CCCN(C)C2)c1 ZINC000675634112 487756903 /nfs/dbraw/zinc/75/69/03/487756903.db2.gz KVDMEFXEOUSAGA-NSHDSACASA-N 0 3 221.304 0.849 20 0 BCADHN CO[C@@H](C)CNC(=O)NC(C)(C)CN(C)C ZINC000666216490 487756918 /nfs/dbraw/zinc/75/69/18/487756918.db2.gz MIZVYRYHNGYDCV-VIFPVBQESA-N 0 3 231.340 0.661 20 0 BCADHN O=C(c1cnc[nH]1)N1CCN2CCCC[C@@H]2C1 ZINC000263673390 487758793 /nfs/dbraw/zinc/75/87/93/487758793.db2.gz LPCAVPNQSQOEJG-SNVBAGLBSA-N 0 3 234.303 0.720 20 0 BCADHN CC(C)NC(=O)CN(C)[C@@H](CN)C(F)(F)F ZINC000042601203 487761907 /nfs/dbraw/zinc/76/19/07/487761907.db2.gz ZZPQEFXWTUIQAM-ZETCQYMHSA-N 0 3 241.257 0.332 20 0 BCADHN O=C1CC[C@@H](CN2CCc3cc[nH]c(=O)c3C2)N1 ZINC000649593012 487766333 /nfs/dbraw/zinc/76/63/33/487766333.db2.gz BRVUXVYLNWOYSB-JTQLQIEISA-N 0 3 247.298 0.424 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCCCO ZINC000146210390 487766907 /nfs/dbraw/zinc/76/69/07/487766907.db2.gz OTJMEOUAIIJNNO-IUCAKERBSA-N 0 3 202.298 0.249 20 0 BCADHN CN1CCN(C(=O)C[C@@H]2C=CCC2)[C@@H](CN)C1 ZINC000226611119 487767301 /nfs/dbraw/zinc/76/73/01/487767301.db2.gz IVNZLBRMUIKNDD-NEPJUHHUSA-N 0 3 237.347 0.444 20 0 BCADHN CC[C@@H](O)CCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000675708978 487768707 /nfs/dbraw/zinc/76/87/07/487768707.db2.gz ANAZAWWTZHIYCX-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN CO[C@H](C)[C@H](C)NCC(=O)NCc1ccco1 ZINC000675738509 487773887 /nfs/dbraw/zinc/77/38/87/487773887.db2.gz JJUJYKORWIJUMF-VHSXEESVSA-N 0 3 240.303 0.909 20 0 BCADHN CO[C@H](C)CNC(=O)N(C)CCN(C)C ZINC000666261787 487774654 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c1ncn([C@H]2CCN(CCOCC3CC3)C2)n1 ZINC000681601188 487821608 /nfs/dbraw/zinc/82/16/08/487821608.db2.gz HZIKTAKUSDVYHL-LBPRGKRZSA-N 0 3 236.319 0.952 20 0 BCADHN COc1ccnc(C(=O)NCC2(N(C)C)CC2)c1 ZINC000668049900 487821965 /nfs/dbraw/zinc/82/19/65/487821965.db2.gz MDHYGQRADXBCEE-UHFFFAOYSA-N 0 3 249.314 0.914 20 0 BCADHN COC1CCC(NC(=O)[C@@H](C)N)CC1 ZINC000211676066 487822324 /nfs/dbraw/zinc/82/23/24/487822324.db2.gz OXSRPZLJDFAKGH-AFPNSQJFSA-N 0 3 200.282 0.407 20 0 BCADHN COCCOCCN1CC[C@@H](n2cncn2)C1 ZINC000681603622 487823198 /nfs/dbraw/zinc/82/31/98/487823198.db2.gz OCHWXIRCEPFEQX-LLVKDONJSA-N 0 3 240.307 0.188 20 0 BCADHN COC[C@H]1CCCN1CCN1CCNC1=O ZINC000676227260 487823275 /nfs/dbraw/zinc/82/32/75/487823275.db2.gz ULZIZMHEYMEKIJ-SNVBAGLBSA-N 0 3 227.308 0.122 20 0 BCADHN CC(=O)CSCC(=O)NC[C@H]1CCN(C)C1 ZINC000494832746 526442266 /nfs/dbraw/zinc/44/22/66/526442266.db2.gz KTVXUVRCFXDLDZ-SNVBAGLBSA-N 0 3 244.360 0.377 20 0 BCADHN Cc1ncc([C@H](C)N2CC[C@@H](C(N)=O)C2)c(C)n1 ZINC000681640061 487829214 /nfs/dbraw/zinc/82/92/14/487829214.db2.gz UFVVTXWANWGJRR-GXSJLCMTSA-N 0 3 248.330 0.962 20 0 BCADHN C[C@@H]1CN(C(=S)NCCN(C)C)CCO1 ZINC000812481127 586578090 /nfs/dbraw/zinc/57/80/90/586578090.db2.gz JYIWRGXZXGIPJO-SECBINFHSA-N 0 3 231.365 0.143 20 0 BCADHN CC[C@H](C)CONC(=O)NCCN(C)C ZINC000813833369 586607598 /nfs/dbraw/zinc/60/75/98/586607598.db2.gz VQXRTEXHVAYWFB-VIFPVBQESA-N 0 3 217.313 0.825 20 0 BCADHN CCN1C[C@@H](C)N(C[C@@H](O)COC)C[C@H]1C ZINC000509078458 527930173 /nfs/dbraw/zinc/93/01/73/527930173.db2.gz AOISZWFCDOZYFI-IJLUTSLNSA-N 0 3 230.352 0.408 20 0 BCADHN C[S@](=O)CCN1CC[C@H](CCCO)C1 ZINC000828613308 587453805 /nfs/dbraw/zinc/45/38/05/587453805.db2.gz BBQYCCDNFZLIKY-HZMBPMFUSA-N 0 3 219.350 0.459 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@@H]1COCC1(C)C ZINC000313071165 322946929 /nfs/dbraw/zinc/94/69/29/322946929.db2.gz FDPDXVUONPVPJL-VHSXEESVSA-N 0 3 228.336 0.916 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC[C@@H]([C@H](C)O)C1)N(C)C ZINC000508181841 528355062 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ZINC000905397048 637807547 /nfs/dbraw/zinc/80/75/47/637807547.db2.gz DLXZMMSYWSFZPS-QMMMGPOBSA-N 0 3 205.273 0.600 20 0 BCADHN O[C@H](CNC/C=C\Cl)C[C@@]1(O)CCOC1 ZINC000905707977 637892182 /nfs/dbraw/zinc/89/21/82/637892182.db2.gz NGWVZKXXGCLXMX-CVLTWBRKSA-N 0 3 235.711 0.231 20 0 BCADHN COCCNCCNC(=O)CC1(OC)CCC1 ZINC000234659539 487849767 /nfs/dbraw/zinc/84/97/67/487849767.db2.gz ZBCATVPYRNGJHN-UHFFFAOYSA-N 0 3 244.335 0.298 20 0 BCADHN COC[C@H](CN(C)C[C@H]1CCCO1)OC ZINC000659846739 487852073 /nfs/dbraw/zinc/85/20/73/487852073.db2.gz RYXKVGLLNDQARK-MNOVXSKESA-N 0 3 217.309 0.759 20 0 BCADHN CCCCN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594873978 487852724 /nfs/dbraw/zinc/85/27/24/487852724.db2.gz YIERJSQPLOCCGB-NXEZZACHSA-N 0 3 211.309 0.030 20 0 BCADHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cnc[nH]1 ZINC000594872601 487852426 /nfs/dbraw/zinc/85/24/26/487852426.db2.gz JWIVZGTXFWBMJF-JTQLQIEISA-N 0 3 234.303 0.624 20 0 BCADHN CCN(CCNC(=O)c1ncc[nH]1)C1CC1 ZINC000668151618 487852596 /nfs/dbraw/zinc/85/25/96/487852596.db2.gz KBVXEEFIUWJDLT-UHFFFAOYSA-N 0 3 222.292 0.624 20 0 BCADHN COC[C@@H](CNC[C@@H](O)C(F)(F)F)OC ZINC000234687400 487852973 /nfs/dbraw/zinc/85/29/73/487852973.db2.gz UFKXSZDZQSJJTD-RNFRBKRXSA-N 0 3 231.214 0.161 20 0 BCADHN CN(C)CCN(C)Cc1nnn(C(C)(C)C)n1 ZINC000668156582 487855473 /nfs/dbraw/zinc/85/54/73/487855473.db2.gz UKXMYBIXDZMGND-UHFFFAOYSA-N 0 3 240.355 0.422 20 0 BCADHN Cc1cc(N(C)CC(C)(C)O)nc(N)n1 ZINC000087838502 641064848 /nfs/dbraw/zinc/06/48/48/641064848.db2.gz VBIDSWISVDBIPY-UHFFFAOYSA-N 0 3 210.281 0.574 20 0 BCADHN CC[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1OC)C(C)C ZINC000668509905 487867141 /nfs/dbraw/zinc/86/71/41/487867141.db2.gz UIZOEJBANGYOMC-AXFHLTTASA-N 0 3 249.376 0.823 20 0 BCADHN CC[C@H](N[C@H]1CS(=O)(=O)C[C@H]1OC)C(C)C ZINC000668509907 487867297 /nfs/dbraw/zinc/86/72/97/487867297.db2.gz UIZOEJBANGYOMC-GARJFASQSA-N 0 3 249.376 0.823 20 0 BCADHN COC[C@H](O)CNCc1ccc(Cl)nc1 ZINC000083470295 641319998 /nfs/dbraw/zinc/31/99/98/641319998.db2.gz UKWDLTSSSRIAQG-SECBINFHSA-N 0 3 230.695 0.832 20 0 BCADHN CC(C)N(C)CC(=O)N1CCCOC[C@@H]1C ZINC000676537577 487870438 /nfs/dbraw/zinc/87/04/38/487870438.db2.gz WDVKHYBHZLJYJG-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H](C1CC1)N(C)CCN1CCCS1(=O)=O ZINC000676539486 487870742 /nfs/dbraw/zinc/87/07/42/487870742.db2.gz IOZIDJPQZCQJIA-JTQLQIEISA-N 0 3 246.376 0.752 20 0 BCADHN COC[C@@H](OC)C(=O)N(C)CCN1CCCC1 ZINC000668199239 487873013 /nfs/dbraw/zinc/87/30/13/487873013.db2.gz NLYLBPHDJQTFLS-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN C[C@H](CNC(=O)c1csc(CN)n1)N(C)C ZINC000085545132 487873753 /nfs/dbraw/zinc/87/37/53/487873753.db2.gz KWGUMVWOCRICCH-SSDOTTSWSA-N 0 3 242.348 0.282 20 0 BCADHN Cc1ccc([O-])c(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)n1 ZINC000651940640 487876448 /nfs/dbraw/zinc/87/64/48/487876448.db2.gz YDGQVRXURCBSTL-DTORHVGOSA-N 0 3 235.287 0.449 20 0 BCADHN CCOC(=O)CCN1CCN(C)[C@H](C)C1 ZINC000082484014 643322562 /nfs/dbraw/zinc/32/25/62/643322562.db2.gz OOJOYBVFIJHQJC-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN COC[C@](C)(CO)NC[C@@H]1CCCO1 ZINC000053199877 487884056 /nfs/dbraw/zinc/88/40/56/487884056.db2.gz RGDBPVMPZPZFNV-UWVGGRQHSA-N 0 3 203.282 0.152 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NC[C@H](C)O)C1 ZINC000666923439 487885120 /nfs/dbraw/zinc/88/51/20/487885120.db2.gz LABAHNZNZAYEGQ-VHSXEESVSA-N 0 3 229.324 0.151 20 0 BCADHN C[C@@H](C[C@H]1CCOC1)NC(=O)C1(N)CC1 ZINC000309494528 487888091 /nfs/dbraw/zinc/88/80/91/487888091.db2.gz SZGOPHDMLOJTTL-DTWKUNHWSA-N 0 3 212.293 0.409 20 0 BCADHN COCCO[C@@H]1CCN([C@H]2CCCOC2)C1 ZINC000682039040 487887925 /nfs/dbraw/zinc/88/79/25/487887925.db2.gz WATZZTGPKCAMRJ-NWDGAFQWSA-N 0 3 229.320 0.903 20 0 BCADHN C[C@@H]1CN(CCN2CCOCC2)CC[C@@H]1O ZINC000164621438 487890439 /nfs/dbraw/zinc/89/04/39/487890439.db2.gz SJFQGYUSJFLCMX-NEPJUHHUSA-N 0 3 228.336 0.021 20 0 BCADHN C[C@@H](Cn1cccn1)NCc1cncnc1 ZINC000054767846 487897155 /nfs/dbraw/zinc/89/71/55/487897155.db2.gz ZMDZHXCVJSZGPR-JTQLQIEISA-N 0 3 217.276 0.851 20 0 BCADHN C[C@H]1COCCCN1CCn1cccn1 ZINC000676711193 487899083 /nfs/dbraw/zinc/89/90/83/487899083.db2.gz BQHNZVBKCBZWPN-NSHDSACASA-N 0 3 209.293 0.994 20 0 BCADHN CC(=O)NCCCN1CCCOC[C@H]1C ZINC000676713149 487899935 /nfs/dbraw/zinc/89/99/35/487899935.db2.gz NOTHTMZSRDSRCI-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CN(Cc1ccc(C(N)=O)cc1)CC1CN(C)C1 ZINC000668537229 487901247 /nfs/dbraw/zinc/90/12/47/487901247.db2.gz BVTLQENRLOHPCV-UHFFFAOYSA-N 0 3 247.342 0.779 20 0 BCADHN O=C1NCCN1CCN1CCCCC[C@@H]1CO ZINC000157058063 487900974 /nfs/dbraw/zinc/90/09/74/487900974.db2.gz JCEYZIFGGIMTOF-LLVKDONJSA-N 0 3 241.335 0.249 20 0 BCADHN CN(Cc1ccnn1C)CC1CN(C)C1 ZINC000668537906 487902382 /nfs/dbraw/zinc/90/23/82/487902382.db2.gz PHYQUXFJISQPPZ-UHFFFAOYSA-N 0 3 208.309 0.414 20 0 BCADHN CCCN1CC[C@H](NC(=O)NCC[C@H](C)O)C1 ZINC000666919708 487904217 /nfs/dbraw/zinc/90/42/17/487904217.db2.gz CCCCONFKGGHFHC-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN CCc1cc(C(=O)N2CCCNCC2)n(C)n1 ZINC000090125044 487906941 /nfs/dbraw/zinc/90/69/41/487906941.db2.gz CRRCLJOXNKSAFF-UHFFFAOYSA-N 0 3 236.319 0.418 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@@H]1C[C@H](F)CN1 ZINC000666945174 487909730 /nfs/dbraw/zinc/90/97/30/487909730.db2.gz BKHJTRFURFTFLL-UWVGGRQHSA-N 0 3 226.299 0.816 20 0 BCADHN C[C@H](O)CN[C@@](C)(CO)c1ccccc1 ZINC000157573904 487914424 /nfs/dbraw/zinc/91/44/24/487914424.db2.gz YMQLNPZKHJNQHF-JQWIXIFHSA-N 0 3 209.289 0.865 20 0 BCADHN CCn1cnnc1CCN[C@@H](C)c1cn[nH]c1 ZINC000671117778 487913925 /nfs/dbraw/zinc/91/39/25/487913925.db2.gz KSAFFBKZOBMUSV-VIFPVBQESA-N 0 3 234.307 0.914 20 0 BCADHN CN1CCC[C@H](NC(=O)Cc2cncs2)C1 ZINC000682159409 487919482 /nfs/dbraw/zinc/91/94/82/487919482.db2.gz FPPCSCUUUPEXCE-VIFPVBQESA-N 0 3 239.344 0.896 20 0 BCADHN CN(Cc1ccn(C)c1)C[C@H]1COCCO1 ZINC000668544795 487919940 /nfs/dbraw/zinc/91/99/40/487919940.db2.gz HHIWYLDQLYHSRZ-LBPRGKRZSA-N 0 3 224.304 0.872 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CCN(C)C(=O)C1)N(C)C ZINC000684487331 487926051 /nfs/dbraw/zinc/92/60/51/487926051.db2.gz LEKNMTJEMRZFQF-UWVGGRQHSA-N 0 3 241.335 0.064 20 0 BCADHN c1cnn(CCN2CCc3cn[nH]c3C2)c1 ZINC000676794327 487930329 /nfs/dbraw/zinc/93/03/29/487930329.db2.gz UUOOSIHGTVSXQZ-UHFFFAOYSA-N 0 3 217.276 0.665 20 0 BCADHN O=C1NCCCC[C@@H]1NCc1ccc(CO)cc1 ZINC000227475425 487931206 /nfs/dbraw/zinc/93/12/06/487931206.db2.gz CBNYMAAIXUYZPA-ZDUSSCGKSA-N 0 3 248.326 0.937 20 0 BCADHN C[C@H](CNC(=O)C[C@H]1CNCCO1)C1CC1 ZINC000158013517 487934807 /nfs/dbraw/zinc/93/48/07/487934807.db2.gz SJVIOKRLCJOCKQ-KOLCDFICSA-N 0 3 226.320 0.527 20 0 BCADHN O=C(NCC1=CCCC1)NC[C@H]1CNCCO1 ZINC000659555606 487936184 /nfs/dbraw/zinc/93/61/84/487936184.db2.gz RXWDBZHBTAHXME-LLVKDONJSA-N 0 3 239.319 0.384 20 0 BCADHN CC(C)N(C)C[C@@H](O)CN1CCC(=O)[C@@H](C)C1 ZINC000383640732 487937094 /nfs/dbraw/zinc/93/70/94/487937094.db2.gz ZPPSEWBATJDJRP-NWDGAFQWSA-N 0 3 242.363 0.598 20 0 BCADHN CN(C)c1ccccc1CNC[C@](C)(O)CO ZINC000684539006 487937178 /nfs/dbraw/zinc/93/71/78/487937178.db2.gz QWCDKEOPWBQCJT-ZDUSSCGKSA-N 0 3 238.331 0.586 20 0 BCADHN NC(=O)N[C@@H]1CCN(CC[C@@H]2CCCCO2)C1 ZINC000408196042 487938518 /nfs/dbraw/zinc/93/85/18/487938518.db2.gz ACOHINCXXVNRDI-MNOVXSKESA-N 0 3 241.335 0.688 20 0 BCADHN NC(=O)N[C@@H]1CCN(CC[C@H]2CCCCO2)C1 ZINC000408196041 487938686 /nfs/dbraw/zinc/93/86/86/487938686.db2.gz ACOHINCXXVNRDI-GHMZBOCLSA-N 0 3 241.335 0.688 20 0 BCADHN Cc1nc(NC[C@@H](C)O)cc(NC[C@H](C)O)n1 ZINC000676876674 487939579 /nfs/dbraw/zinc/93/95/79/487939579.db2.gz CCFSCTPLCNZCOT-OCAPTIKFSA-N 0 3 240.307 0.370 20 0 BCADHN C[C@@H]1CC[C@H](N[C@H]2CCCOC2)CS1(=O)=O ZINC000668562874 487939035 /nfs/dbraw/zinc/93/90/35/487939035.db2.gz HGFROLDSABRCDF-VWYCJHECSA-N 0 3 247.360 0.721 20 0 BCADHN C[C@@H]1CC[C@@H](N[C@@H]2CCCOC2)CS1(=O)=O ZINC000668562870 487939320 /nfs/dbraw/zinc/93/93/20/487939320.db2.gz HGFROLDSABRCDF-GMTAPVOTSA-N 0 3 247.360 0.721 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@H](N)CC(C)C ZINC000158152499 487941596 /nfs/dbraw/zinc/94/15/96/487941596.db2.gz NZJBVOGCYDILKU-VHSXEESVSA-N 0 3 216.325 0.637 20 0 BCADHN CC1(C)CNCCN1C(=O)c1ccon1 ZINC000083842541 487942051 /nfs/dbraw/zinc/94/20/51/487942051.db2.gz QMGMVSPQQWLCBT-UHFFFAOYSA-N 0 3 209.249 0.499 20 0 BCADHN Cc1ccc(CN(C[C@@H](C)O)[C@H](C)CO)nc1 ZINC000682373622 487943511 /nfs/dbraw/zinc/94/35/11/487943511.db2.gz TVHZHMLXWXKOMS-VXGBXAGGSA-N 0 3 238.331 0.954 20 0 BCADHN Cc1ccc(CCNc2nc(N)nc(N)n2)o1 ZINC000147093033 487947829 /nfs/dbraw/zinc/94/78/29/487947829.db2.gz IPHPUUYECSRZNS-UHFFFAOYSA-N 0 3 234.263 0.592 20 0 BCADHN CN(C)C1(C(=O)NCCN(C)C2CC2)CC1 ZINC000667158616 487949449 /nfs/dbraw/zinc/94/94/49/487949449.db2.gz CKPAUAJIZNACQF-UHFFFAOYSA-N 0 3 225.336 0.291 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)[C@H]1CC12CCC2 ZINC000676998305 487952358 /nfs/dbraw/zinc/95/23/58/487952358.db2.gz QDUSXBIBSHGLTM-PWSUYJOCSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H](N)C(=O)Nc1cnc(C2CC2)nc1 ZINC000158356438 487953219 /nfs/dbraw/zinc/95/32/19/487953219.db2.gz QKDYTFSEZYLAIK-LURJTMIESA-N 0 3 206.249 0.640 20 0 BCADHN COC[C@@H](OC)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000667182886 487954152 /nfs/dbraw/zinc/95/41/52/487954152.db2.gz KJUXROFAZNNRQD-MWLCHTKSSA-N 0 3 242.319 0.001 20 0 BCADHN Cc1nnc(CC(=O)N[C@@H]2CCN(C3CC3)C2)[nH]1 ZINC000667182187 487954702 /nfs/dbraw/zinc/95/47/02/487954702.db2.gz WOVJHHDYOAZKSP-SECBINFHSA-N 0 3 249.318 0.009 20 0 BCADHN CN(C)C1(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000667182328 487954453 /nfs/dbraw/zinc/95/44/53/487954453.db2.gz ZSXNBIQUDPZATB-JTQLQIEISA-N 0 3 237.347 0.434 20 0 BCADHN CC(=O)c1ccc(C(=O)NCC[NH3+])cc1[O-] ZINC000569602798 322972388 /nfs/dbraw/zinc/97/23/88/322972388.db2.gz OJQVYSXENPXNNC-UHFFFAOYSA-N 0 3 222.244 0.283 20 0 BCADHN OCc1nc(SCCN2CCCCC2)n[nH]1 ZINC000559616603 322978447 /nfs/dbraw/zinc/97/84/47/322978447.db2.gz FGWPGOXIIDYFKE-UHFFFAOYSA-N 0 3 242.348 0.875 20 0 BCADHN CCO[C@@H]1C[C@H](NC2(C(N)=O)CC2)C12CCC2 ZINC000559783516 322979719 /nfs/dbraw/zinc/97/97/19/322979719.db2.gz XXQBCOUDMWPBSX-VHSXEESVSA-N 0 3 238.331 0.942 20 0 BCADHN C=Cn1cc(CNC[C@@H](O)[C@@H]2CCOC2)cn1 ZINC000564409731 322992906 /nfs/dbraw/zinc/99/29/06/322992906.db2.gz YWJRFLMNEFPAFS-VXGBXAGGSA-N 0 3 237.303 0.471 20 0 BCADHN CCCC[C@H](N)C(=O)NCCCC(=O)NC ZINC000398325655 323001115 /nfs/dbraw/zinc/00/11/15/323001115.db2.gz AQCOZVAGHXRYAY-VIFPVBQESA-N 0 3 229.324 0.146 20 0 BCADHN CCCNC(=O)CCNCc1cn(C)nc1C ZINC000125989590 323002454 /nfs/dbraw/zinc/00/24/54/323002454.db2.gz JGNWIPDCTZNHAV-UHFFFAOYSA-N 0 3 238.335 0.734 20 0 BCADHN CN(CCCc1cncn1C)C(C)(C)C(N)=O ZINC000566628165 323007993 /nfs/dbraw/zinc/00/79/93/323007993.db2.gz KFKDYKJTJNEDFJ-UHFFFAOYSA-N 0 3 238.335 0.548 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)[C@@H](C)CO ZINC000151187618 323012686 /nfs/dbraw/zinc/01/26/86/323012686.db2.gz CNXGUMNDNOSTMV-VHSXEESVSA-N 0 3 216.325 0.461 20 0 BCADHN COCC[C@@H](C)NC(=O)NCCN(C)C ZINC000133573520 323019283 /nfs/dbraw/zinc/01/92/83/323019283.db2.gz LZVYWPSINLRTCX-SECBINFHSA-N 0 3 217.313 0.272 20 0 BCADHN CSC[C@@H](C)NC(=O)NCCN(C)C ZINC000133717499 323019709 /nfs/dbraw/zinc/01/97/09/323019709.db2.gz RYJNFPMACHKKQC-MRVPVSSYSA-N 0 3 219.354 0.599 20 0 BCADHN COCC(C)(C)C(=O)NC[C@@H]1CCCN1C ZINC000151685411 323023616 /nfs/dbraw/zinc/02/36/16/323023616.db2.gz NHTQCGJYWDVENO-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC000153612678 323032195 /nfs/dbraw/zinc/03/21/95/323032195.db2.gz LEQBDUZCAVJBLS-JTQLQIEISA-N 0 3 249.314 0.447 20 0 BCADHN CO[C@H](CN)C(=O)NC/C=C\c1ccccc1 ZINC000565148051 323032469 /nfs/dbraw/zinc/03/24/69/323032469.db2.gz AJGKXNHDUSXBDN-VVEJJEBESA-N 0 3 234.299 0.790 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CCCN(C)C2)cnn1 ZINC000527290278 323033329 /nfs/dbraw/zinc/03/33/29/323033329.db2.gz JNIMDKWHHJROAB-NSHDSACASA-N 0 3 248.330 0.857 20 0 BCADHN CC(C)(CC[NH3+])[N-]S(=O)(=O)c1cscn1 ZINC000572601431 323035649 /nfs/dbraw/zinc/03/56/49/323035649.db2.gz MRWILPJLNYOBRZ-UHFFFAOYSA-N 0 3 249.361 0.549 20 0 BCADHN O=C([C@H]1CC12CCOCC2)N1CCCNCC1 ZINC000569692887 323037056 /nfs/dbraw/zinc/03/70/56/323037056.db2.gz UZLBCESBFXJNAS-LLVKDONJSA-N 0 3 238.331 0.625 20 0 BCADHN C[NH2+][C@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000569721170 323038618 /nfs/dbraw/zinc/03/86/18/323038618.db2.gz PIDCATZUPPRPKQ-VIFPVBQESA-N 0 3 245.286 0.392 20 0 BCADHN Cn1nccc1[C@H](CO)N[C@@H]1CCCC[C@H]1O ZINC000569744001 323039521 /nfs/dbraw/zinc/03/95/21/323039521.db2.gz IVKPBLWUHXDHJR-JFGNBEQYSA-N 0 3 239.319 0.347 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCc2ncccc2[O-])C1 ZINC000569740193 323039610 /nfs/dbraw/zinc/03/96/10/323039610.db2.gz NYCWMMVVRJLHNL-SNVBAGLBSA-N 0 3 249.314 0.745 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCc2ncccc2O)C1 ZINC000569740193 323039611 /nfs/dbraw/zinc/03/96/11/323039611.db2.gz NYCWMMVVRJLHNL-SNVBAGLBSA-N 0 3 249.314 0.745 20 0 BCADHN C[C@@H]1CC[N@H+](CC(=O)NCc2ncccc2[O-])C1 ZINC000569740193 323039612 /nfs/dbraw/zinc/03/96/12/323039612.db2.gz NYCWMMVVRJLHNL-SNVBAGLBSA-N 0 3 249.314 0.745 20 0 BCADHN C[C@@H]1CC[N@@H+](CC(=O)NCc2ncccc2[O-])C1 ZINC000569740193 323039613 /nfs/dbraw/zinc/03/96/13/323039613.db2.gz NYCWMMVVRJLHNL-SNVBAGLBSA-N 0 3 249.314 0.745 20 0 BCADHN CC(=O)NCCN(C)C[C@@H]1CCCC[C@@H]1O ZINC000569837532 323042122 /nfs/dbraw/zinc/04/21/22/323042122.db2.gz AARSYRFPHHZMMH-RYUDHWBXSA-N 0 3 228.336 0.605 20 0 BCADHN CCOC[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000569957503 323045684 /nfs/dbraw/zinc/04/56/84/323045684.db2.gz LDFANWHOJZFQRW-AEJSXWLSSA-N 0 3 212.293 0.219 20 0 BCADHN CC(C(=O)NC1(CF)CCC1)S(C)(=O)=O ZINC000570165411 323051597 /nfs/dbraw/zinc/05/15/97/323051597.db2.gz XIGPDXZOOJJRTN-SSDOTTSWSA-N 0 3 237.296 0.428 20 0 BCADHN CN[C@@H](C)C(=O)Nc1c2c(nn1C)CCC2 ZINC000570174545 323052101 /nfs/dbraw/zinc/05/21/01/323052101.db2.gz AHGSAIQQELJXRA-ZETCQYMHSA-N 0 3 222.292 0.455 20 0 BCADHN CN[C@@H](C)C(=O)N(CC(N)=O)Cc1ccccc1 ZINC000570176369 323052299 /nfs/dbraw/zinc/05/22/99/323052299.db2.gz RQRXIPLJSOVBQV-JTQLQIEISA-N 0 3 249.314 0.108 20 0 BCADHN CC[C@@H](C)C[C@H](NC(=O)[C@@H](N)CC)C(=O)OC ZINC000570215887 323053430 /nfs/dbraw/zinc/05/34/30/323053430.db2.gz KVENNTIKHUAUGG-UTLUCORTSA-N 0 3 244.335 0.818 20 0 BCADHN CSCCN1CCC[C@@H](OCCO)C1 ZINC000172101055 323053505 /nfs/dbraw/zinc/05/35/05/323053505.db2.gz FWXHWKNUMCBILY-SNVBAGLBSA-N 0 3 219.350 0.823 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@@H](N)C2CCC2)no1 ZINC000570278308 323054873 /nfs/dbraw/zinc/05/48/73/323054873.db2.gz YBLCVGSFMXFOFF-JTQLQIEISA-N 0 3 238.291 0.464 20 0 BCADHN NC(C(=O)NCCc1cnccn1)C(F)(F)F ZINC000570330401 323056574 /nfs/dbraw/zinc/05/65/74/323056574.db2.gz QTKIFFSIZYHXHO-ZETCQYMHSA-N 0 3 248.208 0.025 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)CNC1CC1 ZINC000570391185 323058110 /nfs/dbraw/zinc/05/81/10/323058110.db2.gz NIBGODPNXMUALF-RKDXNWHRSA-N 0 3 242.319 0.442 20 0 BCADHN COC(=O)[C@@H](NC(=O)CNC(C)C)C1CC1 ZINC000570410854 323058982 /nfs/dbraw/zinc/05/89/82/323058982.db2.gz JXXVBWDYRNKDFK-JTQLQIEISA-N 0 3 228.292 0.052 20 0 BCADHN CCc1ccnc(CNC(=O)CNC)c1 ZINC000570448807 323059836 /nfs/dbraw/zinc/05/98/36/323059836.db2.gz GUGQNLUUHAFGOI-UHFFFAOYSA-N 0 3 207.277 0.480 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cn2c(cccc2C)n1 ZINC000570526856 323062253 /nfs/dbraw/zinc/06/22/53/323062253.db2.gz CUNRYSLHICAPQN-JTQLQIEISA-N 0 3 246.314 0.867 20 0 BCADHN CCN(CCNC(=O)NC(C)C)[C@H]1CCOC1 ZINC000570627885 323064895 /nfs/dbraw/zinc/06/48/95/323064895.db2.gz BGKKAYZCDHILDU-NSHDSACASA-N 0 3 243.351 0.805 20 0 BCADHN Nc1ccncc1-c1nc(C2(N)CCC2)no1 ZINC000570681892 323066966 /nfs/dbraw/zinc/06/69/66/323066966.db2.gz JCFSFMNNLQOUFT-UHFFFAOYSA-N 0 3 231.259 0.882 20 0 BCADHN CC[C@H](C(=O)N1Cc2cncnc2C1)N(C)C ZINC000570812894 323071331 /nfs/dbraw/zinc/07/13/31/323071331.db2.gz BBDDLUFPBUJMLK-LLVKDONJSA-N 0 3 234.303 0.659 20 0 BCADHN CC[C@](C)(CCO)NC(=O)CN1CC[C@H](C)C1 ZINC000570823226 323071832 /nfs/dbraw/zinc/07/18/32/323071832.db2.gz FMBKWEFVRYXLFC-WCQYABFASA-N 0 3 242.363 0.996 20 0 BCADHN Cc1noc(CN2CCNC[C@@H]2C(F)F)n1 ZINC000570844153 323072527 /nfs/dbraw/zinc/07/25/27/323072527.db2.gz ZSKBOXMBXSFRQF-SSDOTTSWSA-N 0 3 232.234 0.417 20 0 BCADHN C[C@@H]1CCCCN1CCCS(N)(=O)=O ZINC000068455347 323076978 /nfs/dbraw/zinc/07/69/78/323076978.db2.gz VFVJTTBHVIUBQU-SECBINFHSA-N 0 3 220.338 0.539 20 0 BCADHN CN1C[C@@H](NC[C@H](O)Cc2ccccc2)CC1=O ZINC000562987455 323078202 /nfs/dbraw/zinc/07/82/02/323078202.db2.gz PPFIJPZZRZQENE-QWHCGFSZSA-N 0 3 248.326 0.410 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)c1ccn(C)n1 ZINC000516651872 323081266 /nfs/dbraw/zinc/08/12/66/323081266.db2.gz KXNGYJCHKCUHSR-SCZZXKLOSA-N 0 3 224.308 0.756 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N[C@H](C)COC ZINC000390001093 323083022 /nfs/dbraw/zinc/08/30/22/323083022.db2.gz SXADYJDCQQIOTL-IWSPIJDZSA-N 0 3 202.298 0.511 20 0 BCADHN CN(C)C/C=C\C(=O)N1CC[C@H](O)C(C)(C)C1 ZINC000492017452 323084140 /nfs/dbraw/zinc/08/41/40/323084140.db2.gz RERCBRNMYOYWPW-GZTOBOFZSA-N 0 3 240.347 0.724 20 0 BCADHN CCN(C)S(=O)(=O)NCCN1CC[C@H](C)C1 ZINC000531282918 323086942 /nfs/dbraw/zinc/08/69/42/323086942.db2.gz DZUGIZJWQFFCSS-JTQLQIEISA-N 0 3 249.380 0.114 20 0 BCADHN CN(CC(=O)N1CCCC1)C1CCOCC1 ZINC000531343537 323087808 /nfs/dbraw/zinc/08/78/08/323087808.db2.gz XTPPUTDICWGRQB-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN CN(C)CCN(C)C(=O)COC[C@H]1CCCO1 ZINC000531355923 323088006 /nfs/dbraw/zinc/08/80/06/323088006.db2.gz OXHRQJVWKKCZDL-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN CC(C)[C@H]1CN(C[C@H]2CNC(=O)O2)CCN1C ZINC000495714589 323091030 /nfs/dbraw/zinc/09/10/30/323091030.db2.gz CCVKQTHYHSWWHC-GHMZBOCLSA-N 0 3 241.335 0.367 20 0 BCADHN CC[C@@H](N)C(=O)NCCCc1ccccn1 ZINC000563090337 323091686 /nfs/dbraw/zinc/09/16/86/323091686.db2.gz MOHBWIBYHVWPDT-LLVKDONJSA-N 0 3 221.304 0.868 20 0 BCADHN C/C=C\C[C@H](CO)NC[C@@H](C)S(C)(=O)=O ZINC000563144463 323095295 /nfs/dbraw/zinc/09/52/95/323095295.db2.gz WPYSTKJKXCUUCG-BYIQDMNASA-N 0 3 235.349 0.336 20 0 BCADHN Cn1ccnc1[C@H]1CNCCN1CCCF ZINC000563149399 323095441 /nfs/dbraw/zinc/09/54/41/323095441.db2.gz JJZBGPJMYGZMAK-SNVBAGLBSA-N 0 3 226.299 0.726 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000563158984 323096982 /nfs/dbraw/zinc/09/69/82/323096982.db2.gz BFOAILUQLQYSSR-LNFKQOIKSA-N 0 3 238.331 0.798 20 0 BCADHN COCCNCCNC(=O)C1(CF)CCC1 ZINC000563159250 323097028 /nfs/dbraw/zinc/09/70/28/323097028.db2.gz NBDFBSNUDASSKQ-UHFFFAOYSA-N 0 3 232.299 0.478 20 0 BCADHN COc1cc(NCC2(N(C)C)CC2)ncn1 ZINC000397830112 323097562 /nfs/dbraw/zinc/09/75/62/323097562.db2.gz MPJMYZOVXJCNMM-UHFFFAOYSA-N 0 3 222.292 0.991 20 0 BCADHN C[C@@H](N)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000570959965 323101639 /nfs/dbraw/zinc/10/16/39/323101639.db2.gz JDSBFRVDPWLVGA-SECBINFHSA-N 0 3 245.286 0.612 20 0 BCADHN NC(=O)NC(=O)CN(CC1CC1)C1CCC1 ZINC000570993915 323103424 /nfs/dbraw/zinc/10/34/24/323103424.db2.gz GAOZRIWVJHFBNX-UHFFFAOYSA-N 0 3 225.292 0.446 20 0 BCADHN O=C(CNC1CC1)N1CCC(c2ncc[nH]2)CC1 ZINC000571043545 323105027 /nfs/dbraw/zinc/10/50/27/323105027.db2.gz HOXFMWHZFZBSCJ-UHFFFAOYSA-N 0 3 248.330 0.868 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)C(C)(C)CO ZINC000565431845 323106805 /nfs/dbraw/zinc/10/68/05/323106805.db2.gz KTHLIGTZPXTWHO-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H]1CN(CCCC(=O)N(C)C)CCCO1 ZINC000563355001 323120548 /nfs/dbraw/zinc/12/05/48/323120548.db2.gz LTHFXCLLKFQZBH-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCCO[C@H](C)C2)C1 ZINC000563377098 323120824 /nfs/dbraw/zinc/12/08/24/323120824.db2.gz QURFGMOGCQIJCE-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1cccnc1CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000563363406 323120959 /nfs/dbraw/zinc/12/09/59/323120959.db2.gz KFVWOQQCFNSKBR-STQMWFEESA-N 0 3 235.331 0.497 20 0 BCADHN O=C1NCC[C@@]12CCCN2CCn1ccnc1 ZINC000563365313 323121368 /nfs/dbraw/zinc/12/13/68/323121368.db2.gz QBGRMJFMCGBFDT-LBPRGKRZSA-N 0 3 234.303 0.238 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000563410750 323124592 /nfs/dbraw/zinc/12/45/92/323124592.db2.gz LMXIBGULFSCWGB-UWVGGRQHSA-N 0 3 237.307 0.050 20 0 BCADHN CN[C@@H](C)C(=O)NCC(=O)NC1CCCCC1 ZINC000563413920 323124964 /nfs/dbraw/zinc/12/49/64/323124964.db2.gz JASCXVDEBKLYNH-VIFPVBQESA-N 0 3 241.335 0.159 20 0 BCADHN Cc1ncc(CNC[C@](C)(O)C2CC2)n1C ZINC000563441078 323125000 /nfs/dbraw/zinc/12/50/00/323125000.db2.gz QEJFVHFLFPSEQB-LBPRGKRZSA-N 0 3 223.320 0.979 20 0 BCADHN CC[C@](C)(CO)NCc1cnc(C)n1C ZINC000563439061 323125613 /nfs/dbraw/zinc/12/56/13/323125613.db2.gz IJCKDSKNTRZREM-LLVKDONJSA-N 0 3 211.309 0.979 20 0 BCADHN C[C@@H]1CCCC[C@H]1OCCNC(CO)CO ZINC000565165416 323127362 /nfs/dbraw/zinc/12/73/62/323127362.db2.gz WQLREEWHJPIJDT-ZYHUDNBSSA-N 0 3 231.336 0.525 20 0 BCADHN CC1(C)CN(CC2(CO)COC2)CC(C)(C)O1 ZINC000310044526 323127466 /nfs/dbraw/zinc/12/74/66/323127466.db2.gz YRBQQFRZMNTBTD-UHFFFAOYSA-N 0 3 243.347 0.885 20 0 BCADHN CCc1ccc(NC(=O)C(=O)NC2CNC2)cc1 ZINC000563478530 323127584 /nfs/dbraw/zinc/12/75/84/323127584.db2.gz CANRBYUZFDRFCO-UHFFFAOYSA-N 0 3 247.298 0.276 20 0 BCADHN CC(C)OC(=O)CCCNC(=O)CNC1CC1 ZINC000563530060 323129106 /nfs/dbraw/zinc/12/91/06/323129106.db2.gz LKNFQEZQPDTAIN-UHFFFAOYSA-N 0 3 242.319 0.586 20 0 BCADHN CN(C(=O)NC[C@H]1CNCCO1)[C@@H]1CC1(C)C ZINC000563608905 323131438 /nfs/dbraw/zinc/13/14/38/323131438.db2.gz FQFWXVIZIKTDOO-NXEZZACHSA-N 0 3 241.335 0.415 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC000563635598 323133105 /nfs/dbraw/zinc/13/31/05/323133105.db2.gz IBQVZTJOJZFMMT-MRVPVSSYSA-N 0 3 238.291 0.248 20 0 BCADHN C[C@@H](O)C[N@H+](Cc1ncccc1[O-])[C@H](C)CO ZINC000563656632 323133912 /nfs/dbraw/zinc/13/39/12/323133912.db2.gz OLLMKGRBZJJXTG-NXEZZACHSA-N 0 3 240.303 0.351 20 0 BCADHN C[C@@H](O)C[N@@H+](Cc1ncccc1[O-])[C@H](C)CO ZINC000563656632 323133913 /nfs/dbraw/zinc/13/39/13/323133913.db2.gz OLLMKGRBZJJXTG-NXEZZACHSA-N 0 3 240.303 0.351 20 0 BCADHN OCc1ccc(CN2CC[C@@H](c3nnc[nH]3)C2)o1 ZINC000572836079 323136183 /nfs/dbraw/zinc/13/61/83/323136183.db2.gz ITOBJUBCZMKLMT-SECBINFHSA-N 0 3 248.286 0.880 20 0 BCADHN Cc1ncc(CN[C@@H](C)Cn2cncn2)n1C ZINC000571179549 323137575 /nfs/dbraw/zinc/13/75/75/323137575.db2.gz RRIFHNUEBYXDJJ-VIFPVBQESA-N 0 3 234.307 0.498 20 0 BCADHN C[C@@H]1CC[C@@H](CN2CCC[C@@]23CCNC3=O)O1 ZINC000571223136 323138470 /nfs/dbraw/zinc/13/84/70/323138470.db2.gz RMCKTMYAMZALDA-MDZLAQPJSA-N 0 3 238.331 0.908 20 0 BCADHN C[C@@H]1CC[C@@H](CN2CCC[C@]23CCNC3=O)O1 ZINC000571223138 323138490 /nfs/dbraw/zinc/13/84/90/323138490.db2.gz RMCKTMYAMZALDA-NTZNESFSSA-N 0 3 238.331 0.908 20 0 BCADHN CSC[C@@H](O)CN[C@@H]1CC(=O)N(C(C)C)C1 ZINC000571315690 323141184 /nfs/dbraw/zinc/14/11/84/323141184.db2.gz LYIRBXYIWGWOIN-ZJUUUORDSA-N 0 3 246.376 0.309 20 0 BCADHN CSC[C@@H](O)CN[C@H]1CC(=O)N(C(C)C)C1 ZINC000571315687 323141206 /nfs/dbraw/zinc/14/12/06/323141206.db2.gz LYIRBXYIWGWOIN-UWVGGRQHSA-N 0 3 246.376 0.309 20 0 BCADHN C[C@H](CNC[C@@H](C)C[C@H](C)O)S(C)(=O)=O ZINC000571446311 323144829 /nfs/dbraw/zinc/14/48/29/323144829.db2.gz QSHBYEKBGKZVRQ-LPEHRKFASA-N 0 3 237.365 0.416 20 0 BCADHN C[C@H]1CCN(CC(=O)N2C[C@H](O)C[C@H](C)C2)C1 ZINC000571459965 323145294 /nfs/dbraw/zinc/14/52/94/323145294.db2.gz CEKBHTQXQRULFH-SDDRHHMPSA-N 0 3 240.347 0.558 20 0 BCADHN CC(C)OC[C@H](O)CN[C@H](CO)CC(F)F ZINC000571522717 323146796 /nfs/dbraw/zinc/14/67/96/323146796.db2.gz CTAHOBPEKCKHHF-DTWKUNHWSA-N 0 3 241.278 0.378 20 0 BCADHN CC(=O)Nc1ccccc1CNC(=O)[C@@H]1C[C@@H]1N ZINC000571633612 323150210 /nfs/dbraw/zinc/15/02/10/323150210.db2.gz OSWGCKVWCKFBMH-MNOVXSKESA-N 0 3 247.298 0.608 20 0 BCADHN CC1(C)NC(=O)N(CCCN2CCCC2)C1=O ZINC000048544048 323153921 /nfs/dbraw/zinc/15/39/21/323153921.db2.gz QYZQSGQKCRIAKB-UHFFFAOYSA-N 0 3 239.319 0.803 20 0 BCADHN Cn1ncc2c1ncnc2NC[C@H]1CCCN1C ZINC000049099932 323157584 /nfs/dbraw/zinc/15/75/84/323157584.db2.gz NDZOMVCGXLVTSE-SECBINFHSA-N 0 3 246.318 0.869 20 0 BCADHN Cc1cc(C(=O)NCCN2CC[C@@H](C)C2)ncn1 ZINC000534654645 323157732 /nfs/dbraw/zinc/15/77/32/323157732.db2.gz HMJPKAGYWLFXKI-SNVBAGLBSA-N 0 3 248.330 0.857 20 0 BCADHN CCc1cc(CNC(=O)NCCN(C)C)on1 ZINC000534949812 323162266 /nfs/dbraw/zinc/16/22/66/323162266.db2.gz 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C[C@H](CNS(=O)(=O)CC1CC1)N1CCCC1 ZINC000548041712 325423124 /nfs/dbraw/zinc/42/31/24/325423124.db2.gz XICZDNIHIDJAAB-SNVBAGLBSA-N 0 3 246.376 0.800 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NCC(=O)NCC1CCC1 ZINC000564341803 325434232 /nfs/dbraw/zinc/43/42/32/325434232.db2.gz DAWBSKGDISATGW-GHMZBOCLSA-N 0 3 240.347 0.652 20 0 BCADHN COC[C@@H](N[C@H]1CCN(C)C1=O)C1CC1 ZINC000136634712 325463322 /nfs/dbraw/zinc/46/33/22/325463322.db2.gz MENRPVVCVUBIFS-VHSXEESVSA-N 0 3 212.293 0.232 20 0 BCADHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1N[C@H]1CCOC1 ZINC000245610327 325517597 /nfs/dbraw/zinc/51/75/97/325517597.db2.gz JSJVIFMWRSFYDL-GARJFASQSA-N 0 3 247.360 0.721 20 0 BCADHN C[C@H](Cc1cnccn1)NCc1cncn1C ZINC000551012638 325546486 /nfs/dbraw/zinc/54/64/86/325546486.db2.gz TWEXJQZDWQUPFR-SNVBAGLBSA-N 0 3 231.303 0.931 20 0 BCADHN Cc1cccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)n1 ZINC000552157607 325601820 /nfs/dbraw/zinc/60/18/20/325601820.db2.gz VQTBGPKYYCGILA-RYUDHWBXSA-N 0 3 249.314 0.137 20 0 BCADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCCS2)C[C@@H]1O ZINC000552157289 325601876 /nfs/dbraw/zinc/60/18/76/325601876.db2.gz KQHIRWHXTWRFRB-LPEHRKFASA-N 0 3 244.360 0.015 20 0 BCADHN C[C@@H]1CC[C@H](CN[C@H]2C(=O)NCC[C@@H]2C)O1 ZINC000249530908 325653747 /nfs/dbraw/zinc/65/37/47/325653747.db2.gz JLCFILRBRBXULT-LNFKQOIKSA-N 0 3 226.320 0.668 20 0 BCADHN C[C@H]1C[C@@H](N2CCCC2)CN1c1nnnn1C ZINC000553336139 325686746 /nfs/dbraw/zinc/68/67/46/325686746.db2.gz IQVSJGAERZBROM-VHSXEESVSA-N 0 3 236.323 0.273 20 0 BCADHN O=C(Cn1ccnc1)NC1CCN(C2CC2)CC1 ZINC000553846638 325700073 /nfs/dbraw/zinc/70/00/73/325700073.db2.gz JTGBOLYZHILIIK-UHFFFAOYSA-N 0 3 248.330 0.626 20 0 BCADHN O=C(C[C@@H]1CCC[NH2+]1)Nc1ccncc1[O-] ZINC000564565526 325795939 /nfs/dbraw/zinc/79/59/39/325795939.db2.gz VYGOFPPDRNCKLB-QMMMGPOBSA-N 0 3 221.260 0.290 20 0 BCADHN CCC[C@H](O)[C@@H](CO)NC[C@@H](O)C(F)(F)F ZINC000564729427 325805671 /nfs/dbraw/zinc/80/56/71/325805671.db2.gz QMPQDKHUAXNIRA-GJMOJQLCSA-N 0 3 245.241 0.021 20 0 BCADHN CS[C@@H](C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000152904661 325813775 /nfs/dbraw/zinc/81/37/75/325813775.db2.gz ALLSAEUUGTYJMT-WCBMZHEXSA-N 0 3 234.365 0.167 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)C2(N)CCC2)n1 ZINC000564914456 325825958 /nfs/dbraw/zinc/82/59/58/325825958.db2.gz YBOKKQLORMPKLQ-ZCFIWIBFSA-N 0 3 224.264 0.437 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000564929187 325827489 /nfs/dbraw/zinc/82/74/89/325827489.db2.gz KKGBMXAYFQXKQK-SGIHWFKDSA-N 0 3 226.320 0.653 20 0 BCADHN C[C@H]1C[C@@H](NCc2cnc3cnccn23)CO1 ZINC000564960661 325835930 /nfs/dbraw/zinc/83/59/30/325835930.db2.gz FRIOYBXZGUBUBS-VHSXEESVSA-N 0 3 232.287 0.996 20 0 BCADHN CC(=O)N1CC(N[C@@H](C)COC(C)C)C1 ZINC000565219081 325878709 /nfs/dbraw/zinc/87/87/09/325878709.db2.gz QUWSCIHKSMEOTP-VIFPVBQESA-N 0 3 214.309 0.620 20 0 BCADHN C[C@@H](NCCC(N)=O)C(=O)N1CCCC[C@H]1C ZINC000565417128 325907730 /nfs/dbraw/zinc/90/77/30/325907730.db2.gz OASHOJWMKALUSF-NXEZZACHSA-N 0 3 241.335 0.241 20 0 BCADHN CO[C@@H](CNC(CO)CO)Cc1ccccc1 ZINC000565605942 325934194 /nfs/dbraw/zinc/93/41/94/325934194.db2.gz DORASIGFIXGRTJ-CYBMUJFWSA-N 0 3 239.315 0.187 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000565661719 325940263 /nfs/dbraw/zinc/94/02/63/325940263.db2.gz WJXOEHXRQDTBHX-GARJFASQSA-N 0 3 226.320 0.751 20 0 BCADHN Nc1ccccc1NC(=O)CCOC1CNC1 ZINC000565769553 325953610 /nfs/dbraw/zinc/95/36/10/325953610.db2.gz AWTKSTLJWSLJMC-UHFFFAOYSA-N 0 3 235.287 0.586 20 0 BCADHN CC(C)O[C@@H]1CCN(CCOCCO)C1 ZINC000566172864 326006324 /nfs/dbraw/zinc/00/63/24/326006324.db2.gz IMKNJACAETUBIB-LLVKDONJSA-N 0 3 217.309 0.495 20 0 BCADHN Cc1cc(CNC(=O)N[C@@H](C)CN(C)C)no1 ZINC000565852128 325964954 /nfs/dbraw/zinc/96/49/54/325964954.db2.gz XDKPFTGVUYUCNL-QMMMGPOBSA-N 0 3 240.307 0.732 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@H](C)NC ZINC000565904962 325972677 /nfs/dbraw/zinc/97/26/77/325972677.db2.gz PIRHZNZCZZHCKU-CIUDSAMLSA-N 0 3 202.298 0.118 20 0 BCADHN CC(C)N1C[C@H](N[C@@H](C)[C@H](C)O)CC1=O ZINC000566109261 325996387 /nfs/dbraw/zinc/99/63/87/325996387.db2.gz LUVYMFQCMFCOCR-LPEHRKFASA-N 0 3 214.309 0.355 20 0 BCADHN CN(Cc1cnccn1)C(=O)CNC1CC1 ZINC000566185548 326008615 /nfs/dbraw/zinc/00/86/15/326008615.db2.gz MPBDHRJUGZKQRC-UHFFFAOYSA-N 0 3 220.276 0.187 20 0 BCADHN CN(C)c1ncc(NC(=O)C(C)(C)N)cn1 ZINC000566190643 326009560 /nfs/dbraw/zinc/00/95/60/326009560.db2.gz KISSPXAXHFRLHS-UHFFFAOYSA-N 0 3 223.280 0.218 20 0 BCADHN NC1(C(=O)NCc2nc3cccnc3[nH]2)CCC1 ZINC000566196262 326010505 /nfs/dbraw/zinc/01/05/05/326010505.db2.gz HYIXJMLYZSESNM-UHFFFAOYSA-N 0 3 245.286 0.456 20 0 BCADHN CC[C@@H](NC[C@H](C)O)[C@H](O)C(F)(F)F ZINC000566230702 326019232 /nfs/dbraw/zinc/01/92/32/326019232.db2.gz BFRVXBDPGPUQAL-XVMARJQXSA-N 0 3 215.215 0.659 20 0 BCADHN CCN(CC)CCNC(=O)[C@H]1CCC(=O)C1 ZINC000566275454 326027918 /nfs/dbraw/zinc/02/79/18/326027918.db2.gz UUJCZCQVZBKYLL-JTQLQIEISA-N 0 3 226.320 0.814 20 0 BCADHN CCC[C@H](C)[C@@H](CO)NCC(=O)NC ZINC000566303292 326030973 /nfs/dbraw/zinc/03/09/73/326030973.db2.gz GKYJLAKMAUIQII-DTWKUNHWSA-N 0 3 202.298 0.119 20 0 BCADHN CCC(CC)(CO)C(=O)NC[C@@H]1CCCN1C ZINC000566442752 326047996 /nfs/dbraw/zinc/04/79/96/326047996.db2.gz UQWHLZVJXMNCDH-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@](C)(CO)C(=O)NCCN1CC[C@@H](C)C1 ZINC000566444369 326048367 /nfs/dbraw/zinc/04/83/67/326048367.db2.gz DYBSYAQBZNKUKG-YPMHNXCESA-N 0 3 242.363 0.853 20 0 BCADHN CC[C@H](O)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC000566445123 326048876 /nfs/dbraw/zinc/04/88/76/326048876.db2.gz XNCPBAIEUIWMHN-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000566451171 326049552 /nfs/dbraw/zinc/04/95/52/326049552.db2.gz AQPYJIWTHKJFEV-USZNOCQGSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCO[C@H](CF)C2)C1 ZINC000566465067 326051889 /nfs/dbraw/zinc/05/18/89/326051889.db2.gz HKEOMJWSVYWUDA-WDEREUQCSA-N 0 3 244.310 0.525 20 0 BCADHN Cc1ncc(CNC[C@H](O)C2CCC2)n1C ZINC000566499152 326059048 /nfs/dbraw/zinc/05/90/48/326059048.db2.gz NKQRFIIYXQMRJU-LBPRGKRZSA-N 0 3 223.320 0.979 20 0 BCADHN Cc1ncc(CNCCC[C@@H](C)O)n1C ZINC000566749661 326080266 /nfs/dbraw/zinc/08/02/66/326080266.db2.gz WCJGMLLAYNLUSA-SECBINFHSA-N 0 3 211.309 0.979 20 0 BCADHN Cn1c(NC(=O)C2(N)CCC2)nc2cccnc21 ZINC000566795534 326083452 /nfs/dbraw/zinc/08/34/52/326083452.db2.gz QOTZFAQIIXIUJD-UHFFFAOYSA-N 0 3 245.286 0.788 20 0 BCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc[nH]1 ZINC000566876581 326090857 /nfs/dbraw/zinc/09/08/57/326090857.db2.gz JVBWESAXZUZVRF-CYBMUJFWSA-N 0 3 249.314 0.201 20 0 BCADHN CC[C@H](NC[C@@H](C)S(C)(=O)=O)[C@H](C)O ZINC000566914902 326094152 /nfs/dbraw/zinc/09/41/52/326094152.db2.gz DQBYQEIATIENLS-VGMNWLOBSA-N 0 3 223.338 0.169 20 0 BCADHN CC(C)CO[C@@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000566967946 326096167 /nfs/dbraw/zinc/09/61/67/326096167.db2.gz UOHKQOWQSQQHOP-WDEREUQCSA-N 0 3 244.335 0.152 20 0 BCADHN Cn1ccnc1[C@@H]1CCN(Cc2c[nH]nn2)C1 ZINC000567058427 326108112 /nfs/dbraw/zinc/10/81/12/326108112.db2.gz PAAMGWWUDNFUAM-SECBINFHSA-N 0 3 232.291 0.528 20 0 BCADHN CCN(CC(C)C)[C@H](C)C(=O)NC(=O)NC ZINC000153745877 326111394 /nfs/dbraw/zinc/11/13/94/326111394.db2.gz JDCKPRGNSHYCHT-SECBINFHSA-N 0 3 229.324 0.808 20 0 BCADHN CCOC[C@@H](O)CN[C@H](CO)CC(F)(F)F ZINC000567110656 326117726 /nfs/dbraw/zinc/11/77/26/326117726.db2.gz QZCULOKFSWOETQ-YUMQZZPRSA-N 0 3 245.241 0.287 20 0 BCADHN CC(C)SCC(=O)N1CCN(C)C[C@H]1CN ZINC000567165129 326127279 /nfs/dbraw/zinc/12/72/79/326127279.db2.gz OFTKWPXDGPGJIF-SNVBAGLBSA-N 0 3 245.392 0.229 20 0 BCADHN C[NH2+][C@@H](C)C(=O)NCc1nc2cccnc2[n-]1 ZINC000567178606 326130579 /nfs/dbraw/zinc/13/05/79/326130579.db2.gz LJTHAVPHGJQZQP-ZETCQYMHSA-N 0 3 233.275 0.182 20 0 BCADHN c1cn([C@@H]2CCCN(CCn3cncn3)C2)nn1 ZINC000567263830 326152765 /nfs/dbraw/zinc/15/27/65/326152765.db2.gz RDBXHDWMNAOLMZ-LLVKDONJSA-N 0 3 247.306 0.207 20 0 BCADHN CN1CCC[C@H]1CNC(=O)[C@@]1(C)CCCO1 ZINC000154607858 326152932 /nfs/dbraw/zinc/15/29/32/326152932.db2.gz WHUBFLOWVJUBED-CMPLNLGQSA-N 0 3 226.320 0.766 20 0 BCADHN NC(=O)CCNCc1cccc(N2CCC2=O)c1 ZINC000567379008 326178853 /nfs/dbraw/zinc/17/88/53/326178853.db2.gz ZDVSMCDITGEXCK-UHFFFAOYSA-N 0 3 247.298 0.388 20 0 BCADHN CC[C@H](COC)NC(=O)[C@@H](CC)N(C)C ZINC000155123757 326186270 /nfs/dbraw/zinc/18/62/70/326186270.db2.gz KPSRPWRHGUPXNI-NXEZZACHSA-N 0 3 216.325 0.868 20 0 BCADHN Cc1nc2n(n1)CCN(C(=O)[C@H](N)C1CCC1)C2 ZINC000567468360 326198797 /nfs/dbraw/zinc/19/87/97/326198797.db2.gz LWSJUIAHIKUZDP-LLVKDONJSA-N 0 3 249.318 0.056 20 0 BCADHN Cc1nc2n(n1)CCN(C(=O)[C@@H](N)C1CCC1)C2 ZINC000567468361 326198846 /nfs/dbraw/zinc/19/88/46/326198846.db2.gz LWSJUIAHIKUZDP-NSHDSACASA-N 0 3 249.318 0.056 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)N1CCCC1)[C@H](C)O ZINC000567480618 326201339 /nfs/dbraw/zinc/20/13/39/326201339.db2.gz DYKQXKROAFIPPQ-WOPDTQHZSA-N 0 3 242.363 0.994 20 0 BCADHN CN[C@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000567483295 326202004 /nfs/dbraw/zinc/20/20/04/326202004.db2.gz UJSBTYMWJOTHOL-QMMMGPOBSA-N 0 3 222.219 0.677 20 0 BCADHN C[C@@H](CC(C)(C)O)NC(=O)CN1CC[C@H](C)C1 ZINC000567486515 326202816 /nfs/dbraw/zinc/20/28/16/326202816.db2.gz MGNJZKBGZBPAIS-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cc2c(cc1N)OCO2 ZINC000567502997 326206061 /nfs/dbraw/zinc/20/60/61/326206061.db2.gz XBLKKUMLQYNXSG-ZCFIWIBFSA-N 0 3 237.259 0.673 20 0 BCADHN C[C@@H](C(=O)N(C)C)N(C)CC1CCOCC1 ZINC000156203841 326221877 /nfs/dbraw/zinc/22/18/77/326221877.db2.gz WIICFDGZSMVUBJ-JTQLQIEISA-N 0 3 228.336 0.822 20 0 BCADHN CC(C)[C@H](NC[C@H](C)O)[C@H](O)C(F)(F)F ZINC000567589191 326224118 /nfs/dbraw/zinc/22/41/18/326224118.db2.gz ZYALHSQNXFPWBZ-FXQIFTODSA-N 0 3 229.242 0.905 20 0 BCADHN NC1(C(=O)Nc2cccc3c2OCCO3)CC1 ZINC000567665563 326241182 /nfs/dbraw/zinc/24/11/82/326241182.db2.gz YBACVGPQWXLARA-UHFFFAOYSA-N 0 3 234.255 0.888 20 0 BCADHN CC(C)COC[C@H](O)CN[C@@H]1CC[S@@](=O)C1 ZINC000567684136 326244891 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213.306 0.411 20 0 BCADHN C[C@@H]1CCN(CC(=O)NC(C)(C)CO)C1 ZINC000568764012 326376123 /nfs/dbraw/zinc/37/61/23/326376123.db2.gz FUENFNZRVWZEGJ-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@H](CN[C@@H](C)Cn1ccnc1)S(C)(=O)=O ZINC000569095662 326389705 /nfs/dbraw/zinc/38/97/05/326389705.db2.gz VEONNEVHOQREBH-VHSXEESVSA-N 0 3 245.348 0.294 20 0 BCADHN CCOC(=O)C[C@@H](C)CNC(=O)C(C)(C)N ZINC000569113312 326390986 /nfs/dbraw/zinc/39/09/86/326390986.db2.gz HAYJTUVGCHJRPG-MRVPVSSYSA-N 0 3 230.308 0.429 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccc2c(c1)CCO2 ZINC000569118502 326391415 /nfs/dbraw/zinc/39/14/15/326391415.db2.gz RDVSRGJKQQUZNJ-VIFPVBQESA-N 0 3 234.299 0.846 20 0 BCADHN COCCN(CCN(C)C)C(=O)[C@@]1(C)C[C@H]1F ZINC000569123010 326391741 /nfs/dbraw/zinc/39/17/41/326391741.db2.gz JDECBMAIWOXASD-PWSUYJOCSA-N 0 3 246.326 0.771 20 0 BCADHN CCO[C@@H]1C[C@H]1NC(=O)CN1CC[C@H](C)C1 ZINC000569138327 326392573 /nfs/dbraw/zinc/39/25/73/326392573.db2.gz QHTRQGCUUFXSDL-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN CCN(CCNC(=O)c1nc(C)no1)C1CC1 ZINC000684872833 487972410 /nfs/dbraw/zinc/97/24/10/487972410.db2.gz ABMDKYUYPMRAEF-UHFFFAOYSA-N 0 3 238.291 0.592 20 0 BCADHN CNCC(=O)Nc1cccc2c1OCC2 ZINC000083957963 487973595 /nfs/dbraw/zinc/97/35/95/487973595.db2.gz VPCAUXRTXFVXPK-UHFFFAOYSA-N 0 3 206.245 0.779 20 0 BCADHN CCCCC(=O)N[C@H](CO)CN(C)C ZINC000673521188 487977442 /nfs/dbraw/zinc/97/74/42/487977442.db2.gz AIECQPUPDKNBPX-VIFPVBQESA-N 0 3 202.298 0.215 20 0 BCADHN OCC1(O)CCN(CCC[C@H]2CCOC2)CC1 ZINC000400515411 487982507 /nfs/dbraw/zinc/98/25/07/487982507.db2.gz BTNUICZKGDHDTF-LBPRGKRZSA-N 0 3 243.347 0.622 20 0 BCADHN CCN1CCN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC000677171057 487987124 /nfs/dbraw/zinc/98/71/24/487987124.db2.gz CBKXMXPHIZQKGW-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN CN(C(=O)[C@H](O)C1CC1)[C@H]1CCN(C2CC2)C1 ZINC000668599063 487988432 /nfs/dbraw/zinc/98/84/32/487988432.db2.gz QBXLQMSUOHFHTK-NWDGAFQWSA-N 0 3 238.331 0.452 20 0 BCADHN CCN1CCN(C(=O)c2cnc[nH]2)C[C@H]1C ZINC000677177533 487991842 /nfs/dbraw/zinc/99/18/42/487991842.db2.gz PDRJTYIYPMOIPE-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN Cc1cscc1C(=O)N[C@H](CO)CN(C)C ZINC000673522795 487992908 /nfs/dbraw/zinc/99/29/08/487992908.db2.gz RHOVVIVLHPYCQS-VIFPVBQESA-N 0 3 242.344 0.709 20 0 BCADHN O=C(CNC1(CO)CCCCC1)NCC1CC1 ZINC000053097343 487995042 /nfs/dbraw/zinc/99/50/42/487995042.db2.gz FRNYATLTOKDKPA-UHFFFAOYSA-N 0 3 240.347 0.797 20 0 BCADHN CCN1CC[C@H](N[C@@H]2C[C@@H](O)C2(C)C)C1=O ZINC000309640054 487996671 /nfs/dbraw/zinc/99/66/71/487996671.db2.gz KOLOWRHCYGVHRQ-IVZWLZJFSA-N 0 3 226.320 0.356 20 0 BCADHN CCN1CCN(Cc2nccn2C)C[C@H]1C ZINC000677194312 487997744 /nfs/dbraw/zinc/99/77/44/487997744.db2.gz HECHVEXXWMJGKE-LLVKDONJSA-N 0 3 222.336 0.946 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@@H]2COC[C@@H]2O)[C@H]1SC ZINC000602723179 487998135 /nfs/dbraw/zinc/99/81/35/487998135.db2.gz DVABHHUTUMWVND-OGBGREFGSA-N 0 3 247.360 0.245 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCN(C)C(=O)C1 ZINC000682599871 487998322 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/nfs/dbraw/zinc/10/77/96/488107796.db2.gz MWRONVDZYJTBTJ-QWRGUYRKSA-N 0 3 246.376 0.610 20 0 BCADHN O=C1CNC(=O)N1CCN1CC[C@H](C(F)F)C1 ZINC000677731277 488109554 /nfs/dbraw/zinc/10/95/54/488109554.db2.gz OBTICJILYCQHOI-ZETCQYMHSA-N 0 3 247.245 0.125 20 0 BCADHN CC(C)(CO)CNC[C@H](O)C(F)(F)F ZINC000168648824 487536546 /nfs/dbraw/zinc/53/65/46/487536546.db2.gz KEUFARYCKOCZDK-LURJTMIESA-N 0 3 215.215 0.518 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N[C@@H]2CCOC2)C1 ZINC000389768528 488111325 /nfs/dbraw/zinc/11/13/25/488111325.db2.gz BIIVOHHTDBYURC-GHMZBOCLSA-N 0 3 241.335 0.559 20 0 BCADHN CCn1nncc1CN1CC[C@H]2COC[C@H]2C1 ZINC000662029933 488113599 /nfs/dbraw/zinc/11/35/99/488113599.db2.gz JYPAHWVWCAPPCF-WDEREUQCSA-N 0 3 236.319 0.766 20 0 BCADHN CCCn1cc(CNC[C@@H]2CCC(=O)N2)cn1 ZINC000227659509 488115505 /nfs/dbraw/zinc/11/55/05/488115505.db2.gz FIQVAFTVEWZTKM-NSHDSACASA-N 0 3 236.319 0.661 20 0 BCADHN C[C@H](CNCc1cnn2c1CCC2)N(C)C ZINC000657348563 488115772 /nfs/dbraw/zinc/11/57/72/488115772.db2.gz ZSNUPULNSOIEBZ-SNVBAGLBSA-N 0 3 222.336 0.869 20 0 BCADHN CCCN1CC[C@H](NC(=O)N2CCOCC2)C1 ZINC000389852499 488118548 /nfs/dbraw/zinc/11/85/48/488118548.db2.gz VFQIXMGDGJPPDC-NSHDSACASA-N 0 3 241.335 0.513 20 0 BCADHN NC(=O)c1cncc(NCCN2CCCC2)n1 ZINC000678380747 488119689 /nfs/dbraw/zinc/11/96/89/488119689.db2.gz QMULYAQLFIWVJP-UHFFFAOYSA-N 0 3 235.291 0.083 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCCN(C)C1)N(C)C ZINC000675783743 488123045 /nfs/dbraw/zinc/12/30/45/488123045.db2.gz AADBLRRBXKQZRJ-GHMZBOCLSA-N 0 3 227.352 0.537 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CCCN(C)C1)N(C)C ZINC000675783761 488123066 /nfs/dbraw/zinc/12/30/66/488123066.db2.gz AADBLRRBXKQZRJ-QWRGUYRKSA-N 0 3 227.352 0.537 20 0 BCADHN CN1CCC[C@@H](NC(=O)CCc2ccncn2)C1 ZINC000683173916 488123558 /nfs/dbraw/zinc/12/35/58/488123558.db2.gz SCBRURSBRLNNNC-GFCCVEGCSA-N 0 3 248.330 0.620 20 0 BCADHN Cn1cc(CNC(=O)C2(N)CCCCC2)nn1 ZINC000389914093 488125093 /nfs/dbraw/zinc/12/50/93/488125093.db2.gz KJSDQXUTCJVBOC-UHFFFAOYSA-N 0 3 237.307 0.093 20 0 BCADHN Cc1cc(CNC(=O)NCCN(C)C)ncn1 ZINC000677804784 488126425 /nfs/dbraw/zinc/12/64/25/488126425.db2.gz JJRFTAJSWBKJDN-UHFFFAOYSA-N 0 3 237.307 0.146 20 0 BCADHN C[C@H](CNC(=O)NCCN(C)C)C1CC1 ZINC000677805349 488127079 /nfs/dbraw/zinc/12/70/79/488127079.db2.gz XYWJMSPHEIJFCO-SECBINFHSA-N 0 3 213.325 0.893 20 0 BCADHN COCCn1cc(CNC2([C@@H](C)O)CC2)cn1 ZINC000668697127 488127894 /nfs/dbraw/zinc/12/78/94/488127894.db2.gz AXTYXYIPIMICJR-SNVBAGLBSA-N 0 3 239.319 0.533 20 0 BCADHN CCc1nn(C)cc1CNC1([C@@H](C)O)CC1 ZINC000668699090 488130527 /nfs/dbraw/zinc/13/05/27/488130527.db2.gz LZFSCVLAAIAENY-SECBINFHSA-N 0 3 223.320 0.986 20 0 BCADHN C[C@H](CO)CN1CC[C@](O)(C(F)(F)F)C1 ZINC000121157414 490077300 /nfs/dbraw/zinc/07/73/00/490077300.db2.gz VYWDRLBEIXXJSP-JGVFFNPUSA-N 0 3 227.226 0.614 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCC(F)(F)CN ZINC000309749777 487540880 /nfs/dbraw/zinc/54/08/80/487540880.db2.gz GKNYJVANSAIDNV-SSDOTTSWSA-N 0 3 223.267 0.070 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N(C)C[C@@H]1CCOC1 ZINC000162257456 487546731 /nfs/dbraw/zinc/54/67/31/487546731.db2.gz KWPDQQXCWITNMP-WDEREUQCSA-N 0 3 228.336 0.855 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)[C@H](C)N(C)C ZINC000674288990 487549775 /nfs/dbraw/zinc/54/97/75/487549775.db2.gz UWWMTHOXFXQFLU-NWDGAFQWSA-N 0 3 241.379 0.927 20 0 BCADHN CCCN1CC[C@H](NC(=O)NC[C@H](C)CO)C1 ZINC000665839615 487550285 /nfs/dbraw/zinc/55/02/85/487550285.db2.gz NEPRKCPQCSNBCJ-QWRGUYRKSA-N 0 3 243.351 0.398 20 0 BCADHN C[C@@H](C(=O)NC1COC1)N1[C@H](C)CC[C@H]1C ZINC000094711219 487556377 /nfs/dbraw/zinc/55/63/77/487556377.db2.gz JYXQAYDCXHEUID-BBBLOLIVSA-N 0 3 226.320 0.763 20 0 BCADHN CC[C@@H]1CN(C[C@H]2CNCCO2)[C@@H](C)CO1 ZINC000403749683 488135206 /nfs/dbraw/zinc/13/52/06/488135206.db2.gz BMBUDWNYFLBPTE-QJPTWQEYSA-N 0 3 228.336 0.474 20 0 BCADHN CCN(CC)C(=O)C[C@@H](C)N[C@H]1CCNC1=O ZINC000658054177 487533481 /nfs/dbraw/zinc/53/34/81/487533481.db2.gz OEJOINUGKUKFGK-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN C=Cn1cc(CNC2([C@@H](C)O)CC2)cn1 ZINC000668703092 488139902 /nfs/dbraw/zinc/13/99/02/488139902.db2.gz XAZYNWXEZTVYHR-SECBINFHSA-N 0 3 207.277 0.987 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2cc[nH]n2)[C@@H](C)CN1 ZINC000237441357 487471506 /nfs/dbraw/zinc/47/15/06/487471506.db2.gz XEILSARWVUYPAF-BDAKNGLRSA-N 0 3 222.292 0.161 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2ccn[nH]2)[C@@H](C)CN1 ZINC000237441357 487471509 /nfs/dbraw/zinc/47/15/09/487471509.db2.gz XEILSARWVUYPAF-BDAKNGLRSA-N 0 3 222.292 0.161 20 0 BCADHN C[C@H]1CN(C(=O)CN2CCNCC2)C[C@@H]1C ZINC000086014073 487472200 /nfs/dbraw/zinc/47/22/00/487472200.db2.gz MPRBNUTZNVPMQZ-QWRGUYRKSA-N 0 3 225.336 0.006 20 0 BCADHN CC(C)N(CCC[C@@H]1CCOC1)CC(N)=O ZINC000682673273 487483309 /nfs/dbraw/zinc/48/33/09/487483309.db2.gz NHGHLXGZLOZSLA-LLVKDONJSA-N 0 3 228.336 0.999 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCc1cn[nH]n1 ZINC000673928566 487483339 /nfs/dbraw/zinc/48/33/39/487483339.db2.gz MHCRYYLYXPFTGG-JTQLQIEISA-N 0 3 237.307 0.295 20 0 BCADHN O=C(C1CCCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405282386 487479798 /nfs/dbraw/zinc/47/97/98/487479798.db2.gz WHMGFWPPXKHKOE-NWDGAFQWSA-N 0 3 238.331 0.454 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@@H]1CCCNC(=O)C1 ZINC000231848626 487480282 /nfs/dbraw/zinc/48/02/82/487480282.db2.gz OQPDHCZJDZCEJP-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN O[C@@H]1C[C@H]2CN(c3ccc(F)cn3)CCN2C1 ZINC000405418147 487485000 /nfs/dbraw/zinc/48/50/00/487485000.db2.gz WSUOGNWRLQQBKU-WDEREUQCSA-N 0 3 237.278 0.476 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](CO)C(C)C ZINC000086125011 487485081 /nfs/dbraw/zinc/48/50/81/487485081.db2.gz PYQAWGYCGDGDQB-MWLCHTKSSA-N 0 3 216.325 0.637 20 0 BCADHN CN(C)CC1(NC(=O)c2cnco2)CCC1 ZINC000684989492 487485842 /nfs/dbraw/zinc/48/58/42/487485842.db2.gz KYZQSCQDHNCPOC-UHFFFAOYSA-N 0 3 223.276 0.889 20 0 BCADHN C[C@H](OCC1CC1)C(=O)N1CCCNCC1 ZINC000237566189 487485915 /nfs/dbraw/zinc/48/59/15/487485915.db2.gz HHXSHBJZGVSZRQ-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H]1CN(C(=O)COC2(C)CNC2)CC[C@@H]1C ZINC000161252129 487486129 /nfs/dbraw/zinc/48/61/29/487486129.db2.gz AQHLVUDKTSRNRD-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H](O)CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000685000534 487487475 /nfs/dbraw/zinc/48/74/75/487487475.db2.gz LZKNCDQCKMWAQN-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN CCCC(=O)NC1CCN(C[C@H](C)O)CC1 ZINC000685000952 487489002 /nfs/dbraw/zinc/48/90/02/487489002.db2.gz ZGKWUIFNBSYFKW-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)NCC(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000659365201 487492148 /nfs/dbraw/zinc/49/21/48/487492148.db2.gz AWDKXGLOWMDZDS-CMPLNLGQSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@@H](O)CNC[C@H]1COc2ccccc2O1 ZINC000666116998 487499677 /nfs/dbraw/zinc/49/96/77/487499677.db2.gz MGPHFMDRDWKQOB-ZJUUUORDSA-N 0 3 223.272 0.797 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CC12CCOCC2)N(C)C ZINC000674012247 487499818 /nfs/dbraw/zinc/49/98/18/487499818.db2.gz KMBNANNNMNOKFZ-MNOVXSKESA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NCc1cn(C)nn1 ZINC000679994581 487511092 /nfs/dbraw/zinc/51/10/92/487511092.db2.gz YJVKPWBZXZSYMR-JOYOIKCWSA-N 0 3 235.335 0.387 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H](C)N1C ZINC000334406390 487513074 /nfs/dbraw/zinc/51/30/74/487513074.db2.gz QSBAVUGFVDKBOW-AOOOYVTPSA-N 0 3 236.319 0.503 20 0 BCADHN CNC(=O)[C@H](CC(C)C)N[C@H](C)COC ZINC000053195232 487517564 /nfs/dbraw/zinc/51/75/64/487517564.db2.gz OFIXTDRTOYLPHF-ZJUUUORDSA-N 0 3 216.325 0.772 20 0 BCADHN C[C@H](Cn1cncn1)[NH2+]Cc1ncccc1[O-] ZINC000685421803 487519873 /nfs/dbraw/zinc/51/98/73/487519873.db2.gz WONFFPWLJBKHQN-SECBINFHSA-N 0 3 233.275 0.557 20 0 BCADHN C[C@H]1SCC[C@@H]1NC(=O)COC1(C)CNC1 ZINC000381812914 487522941 /nfs/dbraw/zinc/52/29/41/487522941.db2.gz IFLVQDILWVRDPA-BDAKNGLRSA-N 0 3 244.360 0.375 20 0 BCADHN CCn1ccc(=NC(=O)[C@@H]2CC[C@H](C3CC3)N2)[nH]1 ZINC000407302244 487524186 /nfs/dbraw/zinc/52/41/86/487524186.db2.gz MVEMWRYTSWHPTQ-MNOVXSKESA-N 0 3 248.330 0.794 20 0 BCADHN CN(C)c1ccc(CN(C)CCC(N)=O)cn1 ZINC000685447223 487524639 /nfs/dbraw/zinc/52/46/39/487524639.db2.gz TURVXEMLJYCFQM-UHFFFAOYSA-N 0 3 236.319 0.455 20 0 BCADHN CCCCCN1C[C@H](O)C[C@H]1C(N)=O ZINC000249789447 487525189 /nfs/dbraw/zinc/52/51/89/487525189.db2.gz JCDXVJYUYLTLKY-BDAKNGLRSA-N 0 3 200.282 0.097 20 0 BCADHN C[C@]1(NC(=O)c2ccccc2[O-])CC[NH2+]C1 ZINC000230733582 488146038 /nfs/dbraw/zinc/14/60/38/488146038.db2.gz LJDFQVVEPQKIMW-LBPRGKRZSA-N 0 3 220.272 0.874 20 0 BCADHN C[C@H]1CC(=O)NCCN1CC[C@H]1CCOC1 ZINC000685469697 487533891 /nfs/dbraw/zinc/53/38/91/487533891.db2.gz RQGUXLBDWCOONS-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN COC[C@H](CC(C)(C)C)N[C@H]1CCNC1=O ZINC000658052066 487534463 /nfs/dbraw/zinc/53/44/63/487534463.db2.gz HJUCWLSALZYMFD-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@H](O)CNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000683417410 488160771 /nfs/dbraw/zinc/16/07/71/488160771.db2.gz UMTDKYWJVVEMTK-GXSJLCMTSA-N 0 3 241.335 0.151 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)C(C)(C)C(N)=O ZINC000683462870 488167650 /nfs/dbraw/zinc/16/76/50/488167650.db2.gz ZVIYKCOKSPZYFL-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN CN(C)CCN(C(=O)c1cncn1C)C1CC1 ZINC000685472215 487535286 /nfs/dbraw/zinc/53/52/86/487535286.db2.gz ITOQLKBHYABZDF-UHFFFAOYSA-N 0 3 236.319 0.586 20 0 BCADHN c1cc([C@H]2CCCN(Cc3c[nH]nn3)C2)n[nH]1 ZINC000670990567 487577084 /nfs/dbraw/zinc/57/70/84/487577084.db2.gz YVEAXAZQQICVEU-VIFPVBQESA-N 0 3 232.291 0.907 20 0 BCADHN O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@@H]2C[C@@H]21 ZINC000672126659 487577441 /nfs/dbraw/zinc/57/74/41/487577441.db2.gz KDKQNWDWTHRSCJ-AGIUHOORSA-N 0 3 249.358 0.387 20 0 BCADHN O[C@@H]1C[C@H](O)CN(CCc2cccnc2)C1 ZINC000674498823 487588392 /nfs/dbraw/zinc/58/83/92/487588392.db2.gz VZLVIVVMPZJPFV-TXEJJXNPSA-N 0 3 222.288 0.052 20 0 BCADHN CCCN(CCN(C)C)C(=O)C1(N(C)C)CC1 ZINC000668301517 487635709 /nfs/dbraw/zinc/63/57/09/487635709.db2.gz LWCXVTPDHBKKNM-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN NC1(C(=O)NC[C@@H]2CCC(=O)N2)CCCCC1 ZINC000079930436 487690692 /nfs/dbraw/zinc/69/06/92/487690692.db2.gz VLMCEYSQUYDPLU-VIFPVBQESA-N 0 3 239.319 0.043 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CC[C@@H](OC)C1 ZINC000234018068 487757142 /nfs/dbraw/zinc/75/71/42/487757142.db2.gz LMPLAKVUFQPQNK-YIZRAAEISA-N 0 3 200.282 0.407 20 0 BCADHN COCCCCN1CCN([C@H]2CCOC2)CC1 ZINC000676317054 487836878 /nfs/dbraw/zinc/83/68/78/487836878.db2.gz RPKWZBXRVCPQIG-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN CNC(=O)CCCC(=O)N[C@H]1CCCN(C)C1 ZINC000681996784 487877066 /nfs/dbraw/zinc/87/70/66/487877066.db2.gz OJJWWABYZOCZAX-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN C[C@@H](CO)CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000682030855 487883734 /nfs/dbraw/zinc/88/37/34/487883734.db2.gz DMWFOHOPHFMGFC-NEPJUHHUSA-N 0 3 244.379 0.392 20 0 BCADHN COC[C@H](CO)NCc1ccc(CO)cc1 ZINC000229177273 487886371 /nfs/dbraw/zinc/88/63/71/487886371.db2.gz JXEOZFFICLYLCG-LBPRGKRZSA-N 0 3 225.288 0.276 20 0 BCADHN O=C(CN1CCCCC[C@H]1CO)N1CCCC1 ZINC000157059550 487900662 /nfs/dbraw/zinc/90/06/62/487900662.db2.gz CRBJSGRGHJOWGI-LBPRGKRZSA-N 0 3 240.347 0.846 20 0 BCADHN CCN(CC(=O)N[C@@H]1CCCN(C)C1)C1CC1 ZINC000676718979 487905468 /nfs/dbraw/zinc/90/54/68/487905468.db2.gz FXBNPWPPPYZNOV-LLVKDONJSA-N 0 3 239.363 0.681 20 0 BCADHN CN(Cc1csnn1)CC1CN(C)C1 ZINC000668539964 487905483 /nfs/dbraw/zinc/90/54/83/487905483.db2.gz RUQZUEOALAHPNE-UHFFFAOYSA-N 0 3 212.322 0.532 20 0 BCADHN c1nc2cncc(N3CCN4CCC3CC4)n2n1 ZINC000682473528 487968854 /nfs/dbraw/zinc/96/88/54/487968854.db2.gz HDFOLDCMXBBHSJ-UHFFFAOYSA-N 0 3 244.302 0.409 20 0 BCADHN Cn1ccc(CN2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000668600075 487989222 /nfs/dbraw/zinc/98/92/22/487989222.db2.gz CTDMMSAZKPXSFL-NWDGAFQWSA-N 0 3 206.289 0.982 20 0 BCADHN C[C@@H]1NCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1C ZINC000379445057 488136818 /nfs/dbraw/zinc/13/68/18/488136818.db2.gz WJFUEQCZGPCYOJ-LADJIXMOSA-N 0 3 224.304 0.088 20 0 BCADHN CCN(C[C@@H]1CCOC1)[C@@H](C)C(N)=O ZINC000677885359 488142285 /nfs/dbraw/zinc/14/22/85/488142285.db2.gz AIUHIFJOSINKOL-IUCAKERBSA-N 0 3 200.282 0.219 20 0 BCADHN C[C@@]1([N-]S(=O)(=O)c2cccs2)CC[NH2+]C1 ZINC000230736101 488149555 /nfs/dbraw/zinc/14/95/55/488149555.db2.gz CBEVTOWRZIHQDM-SECBINFHSA-N 0 3 246.357 0.778 20 0 BCADHN c1cc2n(n1)CCC[C@@H]2NCCn1cncn1 ZINC000657855106 488150919 /nfs/dbraw/zinc/15/09/19/488150919.db2.gz CZRAMIUYMJYBMW-JTQLQIEISA-N 0 3 232.291 0.599 20 0 BCADHN O=C(NC1CC=CC1)[C@H]1CN2CCN1CCC2 ZINC000677913082 488154329 /nfs/dbraw/zinc/15/43/29/488154329.db2.gz QEFRAZWWHCRDSP-GFCCVEGCSA-N 0 3 235.331 0.211 20 0 BCADHN CN(CCOC(C)(C)C)CC1(CO)COC1 ZINC000676043044 488156101 /nfs/dbraw/zinc/15/61/01/488156101.db2.gz SUMJJAXZRTUMHR-UHFFFAOYSA-N 0 3 231.336 0.742 20 0 BCADHN CCn1cc(CNC(=O)[C@@H](N)CC(C)C)nn1 ZINC000404463998 488160120 /nfs/dbraw/zinc/16/01/20/488160120.db2.gz RCQZKQZHFUAGPU-JTQLQIEISA-N 0 3 239.323 0.288 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000667927453 488160942 /nfs/dbraw/zinc/16/09/42/488160942.db2.gz XNYFWVUXTNKLQC-JMJZKYOTSA-N 0 3 226.320 0.668 20 0 BCADHN C[C@@H](N[C@@H]1CO[C@H](C2CC2)C1)C(=O)N(C)C ZINC000667935095 488161952 /nfs/dbraw/zinc/16/19/52/488161952.db2.gz DAZUZTIIKRSJND-MIMYLULJSA-N 0 3 226.320 0.620 20 0 BCADHN CCn1cc(CNC(=O)[C@H](N)C2CCC2)nn1 ZINC000404451994 488162623 /nfs/dbraw/zinc/16/26/23/488162623.db2.gz JLXJJUHVXXGHAT-SNVBAGLBSA-N 0 3 237.307 0.042 20 0 BCADHN Cc1ncc(CN2CC[C@H]([C@H](C)O)C2)n1C ZINC000667959263 488165820 /nfs/dbraw/zinc/16/58/20/488165820.db2.gz JETNKVMXWSAYSZ-ONGXEEELSA-N 0 3 223.320 0.931 20 0 BCADHN COC[C@@H](CCO)N[C@@H]1CCCn2nccc21 ZINC000657888504 488167590 /nfs/dbraw/zinc/16/75/90/488167590.db2.gz MIFKALSUGNNXSF-GHMZBOCLSA-N 0 3 239.319 0.705 20 0 BCADHN CCN1CCC(NC(=O)C(C)(C)C(N)=O)CC1 ZINC000683462640 488167926 /nfs/dbraw/zinc/16/79/26/488167926.db2.gz VSZNPBYKPRQQCG-UHFFFAOYSA-N 0 3 241.335 0.098 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(Cc2ccc(N)nc2)C1 ZINC000230896392 488170597 /nfs/dbraw/zinc/17/05/97/488170597.db2.gz XQEWYNMWUHCLRV-ZDUSSCGKSA-N 0 3 248.330 0.622 20 0 BCADHN 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CCCN(C)CC(=O)N(C)C[C@H](O)C1CC1 ZINC000674815378 490057477 /nfs/dbraw/zinc/05/74/77/490057477.db2.gz HHEUBJGGZWJSPY-NSHDSACASA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H]1OCC[C@@H]1NCC(C)(C)S(C)(=O)=O ZINC000121536029 490097786 /nfs/dbraw/zinc/09/77/86/490097786.db2.gz CSNAUBPHVQABKS-BDAKNGLRSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@H](CNC(=O)CCc1ncccn1)N(C)C ZINC000359982450 490131606 /nfs/dbraw/zinc/13/16/06/490131606.db2.gz XALXHLILGGCDBP-SNVBAGLBSA-N 0 3 236.319 0.476 20 0 BCADHN C[C@@H](CNC(=O)CCc1ncccn1)N(C)C ZINC000359982449 490131886 /nfs/dbraw/zinc/13/18/86/490131886.db2.gz XALXHLILGGCDBP-JTQLQIEISA-N 0 3 236.319 0.476 20 0 BCADHN Cn1cccc1CN[C@]1(CO)CCOC1 ZINC000184177973 490153490 /nfs/dbraw/zinc/15/34/90/490153490.db2.gz KLTITSIDXGYZMB-NSHDSACASA-N 0 3 210.277 0.266 20 0 BCADHN Cc1ncc(C(=O)N[C@@H](CN)C(F)(F)F)[nH]1 ZINC000655515235 490175184 /nfs/dbraw/zinc/17/51/84/490175184.db2.gz KVMKVXWDWWKROP-LURJTMIESA-N 0 3 236.197 0.338 20 0 BCADHN CCNC(=O)CN[C@H]1CCO[C@@H](C)C1 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/nfs/dbraw/zinc/29/93/94/490299394.db2.gz BQDODIZAQFOILU-VHSXEESVSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCN(c2nccnn2)CC1 ZINC000625644461 490319182 /nfs/dbraw/zinc/31/91/82/490319182.db2.gz HZZGQGAGHPBWGX-MNOVXSKESA-N 0 3 233.319 0.650 20 0 BCADHN Cc1ncc(CN2CC[C@H]3CN(C)C[C@@H]32)n1C ZINC000668186625 490337857 /nfs/dbraw/zinc/33/78/57/490337857.db2.gz NMGWKBCUQHGQNI-AAEUAGOBSA-N 0 3 234.347 0.864 20 0 BCADHN CO[C@H]1CS(=O)(=O)C[C@H]1NCCC(C)(C)C ZINC000668505719 490339786 /nfs/dbraw/zinc/33/97/86/490339786.db2.gz CPAJYNGDDPSCDO-ZJUUUORDSA-N 0 3 249.376 0.824 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC[C@@H]1C[C@H]1C ZINC000668505899 490341441 /nfs/dbraw/zinc/34/14/41/490341441.db2.gz DWDNLZFOLIBKCU-XFWSIPNHSA-N 0 3 233.333 0.044 20 0 BCADHN CCC(CC)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000668505885 490341607 /nfs/dbraw/zinc/34/16/07/490341607.db2.gz DTAPFUAIWAEXCR-UWVGGRQHSA-N 0 3 235.349 0.577 20 0 BCADHN CC[C@H](C)[C@H](C)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000668508488 490343014 /nfs/dbraw/zinc/34/30/14/490343014.db2.gz MDUBUOYVROCJDQ-XWLWVQCSSA-N 0 3 249.376 0.823 20 0 BCADHN CC[C@H](N)c1cn([C@H](C)C(=O)N(C)C)nn1 ZINC000229937834 490367740 /nfs/dbraw/zinc/36/77/40/490367740.db2.gz CEBMXXCBBWZYDG-SFYZADRCSA-N 0 3 225.296 0.337 20 0 BCADHN C[C@H]1CN([C@@H]2CCCC[C@H]2O)C[C@@H](CO)O1 ZINC000230002491 490380046 /nfs/dbraw/zinc/38/00/46/490380046.db2.gz JNBUBDRTVRPCML-NNYUYHANSA-N 0 3 229.320 0.372 20 0 BCADHN CS(=O)(=O)CCCCN(CCO)C1CC1 ZINC000305056645 490415515 /nfs/dbraw/zinc/41/55/15/490415515.db2.gz FGSXDWIOWCIELK-UHFFFAOYSA-N 0 3 235.349 0.268 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC[C@@H]([C@H](C)O)C1 ZINC000305205649 490449457 /nfs/dbraw/zinc/44/94/57/490449457.db2.gz XXQZHGTZFZPMCT-OUAUKWLOSA-N 0 3 228.336 0.556 20 0 BCADHN CN(Cc1cccc(C(N)=O)c1)C[C@H](O)C1CC1 ZINC000079787795 490464065 /nfs/dbraw/zinc/46/40/65/490464065.db2.gz ROYHEWFCINFERH-ZDUSSCGKSA-N 0 3 248.326 0.988 20 0 BCADHN CNC(=O)CCN[C@@]1(CO)CCc2ccccc21 ZINC000305715686 490470925 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ULJSMTVSXMGYIY-NSHDSACASA-N 0 3 229.320 0.639 20 0 BCADHN CC(C(=O)N[C@H](C)C1CCC1)S(C)(=O)=O ZINC000131372984 490634465 /nfs/dbraw/zinc/63/44/65/490634465.db2.gz UAVBHTHOKIENIB-HTQZYQBOSA-N 0 3 233.333 0.724 20 0 BCADHN CC(C(=O)N[C@H](C)C1CCC1)S(C)(=O)=O ZINC000131373415 490634692 /nfs/dbraw/zinc/63/46/92/490634692.db2.gz UAVBHTHOKIENIB-SFYZADRCSA-N 0 3 233.333 0.724 20 0 BCADHN CCNC(=O)CN1CCCC[C@H]1[C@@H](C)CO ZINC000661437052 490678804 /nfs/dbraw/zinc/67/88/04/490678804.db2.gz YILNDWIQZYBZNP-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)N)C(C)C ZINC000594453303 491076831 /nfs/dbraw/zinc/07/68/31/491076831.db2.gz IQRQCRBVGTZANK-VHSXEESVSA-N 0 3 244.335 0.816 20 0 BCADHN C[C@H](N(C)CC(=O)NCC1CC1)C(C)(C)O ZINC000382810302 491068314 /nfs/dbraw/zinc/06/83/14/491068314.db2.gz PGLWQLIGMMCNEP-VIFPVBQESA-N 0 3 228.336 0.604 20 0 BCADHN CCCCN(CC)C(=O)CN1CCNCC1 ZINC000020521218 491068498 /nfs/dbraw/zinc/06/84/98/491068498.db2.gz APLROUGSAURATR-UHFFFAOYSA-N 0 3 227.352 0.540 20 0 BCADHN CC(C)(C)[C@H](O)C[C@@H](CO)NCc1cn[nH]c1 ZINC000671193572 491069015 /nfs/dbraw/zinc/06/90/15/491069015.db2.gz GCPVBPLJWWVYFF-WDEREUQCSA-N 0 3 241.335 0.657 20 0 BCADHN CC[C@H]1CCCN1CC(=O)N1CCOCC1 ZINC000334262382 491070380 /nfs/dbraw/zinc/07/03/80/491070380.db2.gz VEBGCTWIYFTLDV-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN CNC(=O)CCN(C)Cc1ccc(O)cc1 ZINC000226747972 491049716 /nfs/dbraw/zinc/04/97/16/491049716.db2.gz AOQNJEQEURFOSQ-UHFFFAOYSA-N 0 3 222.288 0.960 20 0 BCADHN COC(=O)CC1CC(NCc2ccnn2C)C1 ZINC000424266078 491075503 /nfs/dbraw/zinc/07/55/03/491075503.db2.gz KSSVJUNOEPETKW-UHFFFAOYSA-N 0 3 237.303 0.851 20 0 BCADHN OC[C@@H](CC(F)F)N[C@H]1CCCOC1 ZINC000308529544 491136934 /nfs/dbraw/zinc/13/69/34/491136934.db2.gz ZFTZIGAAGJSMHJ-JGVFFNPUSA-N 0 3 209.236 0.771 20 0 BCADHN Cc1nccnc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000669184432 491092713 /nfs/dbraw/zinc/09/27/13/491092713.db2.gz ZFFWSZOLYUWVMO-KOLCDFICSA-N 0 3 248.330 0.998 20 0 BCADHN CC(C)N(C)C[C@H](C)Nc1nccn(C)c1=O ZINC000357561972 491093565 /nfs/dbraw/zinc/09/35/65/491093565.db2.gz FJTCYGYPEWCEKX-JTQLQIEISA-N 0 3 238.335 0.921 20 0 BCADHN C[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1)C1CC1 ZINC000366462786 491093916 /nfs/dbraw/zinc/09/39/16/491093916.db2.gz PMVNZWZVOMAJKQ-HGNGGELXSA-N 0 3 214.284 0.849 20 0 BCADHN CCCCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366554709 491093926 /nfs/dbraw/zinc/09/39/26/491093926.db2.gz KTHSQFNEWJRIOF-IUCAKERBSA-N 0 3 202.273 0.993 20 0 BCADHN C[C@@H](C(=O)N1CCN2CC[C@H]1C2)n1cccn1 ZINC000615565476 491095038 /nfs/dbraw/zinc/09/50/38/491095038.db2.gz XOHLERNSGHZZJR-QWRGUYRKSA-N 0 3 234.303 0.361 20 0 BCADHN O=C(CNC1CC1)N1CCCC(F)(F)C1 ZINC000259583889 491101905 /nfs/dbraw/zinc/10/19/05/491101905.db2.gz UQJUUSLORRMPJX-UHFFFAOYSA-N 0 3 218.247 0.996 20 0 BCADHN COC[C@@H](C)N1CCN(CCCF)CC1 ZINC000137534624 491102705 /nfs/dbraw/zinc/10/27/05/491102705.db2.gz YZPRQIXRRDMVSI-LLVKDONJSA-N 0 3 218.316 0.999 20 0 BCADHN CNCC(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000659362852 491104322 /nfs/dbraw/zinc/10/43/22/491104322.db2.gz XVVCOHVNWAOKEF-RKDXNWHRSA-N 0 3 200.282 0.280 20 0 BCADHN COCC[C@H](C)N(C)[C@@H]1CCN(C)C1=O ZINC000088525446 491104635 /nfs/dbraw/zinc/10/46/35/491104635.db2.gz YYIAJKSYAJATGK-VHSXEESVSA-N 0 3 214.309 0.574 20 0 BCADHN C[C@H]1C[C@@H](O)CN1CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000314384472 491118233 /nfs/dbraw/zinc/11/82/33/491118233.db2.gz OUEKKIIBCBZGHD-WUHRBBMRSA-N 0 3 242.363 0.551 20 0 BCADHN Cc1nccnc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000668461706 491120512 /nfs/dbraw/zinc/12/05/12/491120512.db2.gz BNLGGYUNBMHHDQ-NSHDSACASA-N 0 3 248.330 0.857 20 0 BCADHN CC(=O)NCCN(C)CCC1CCOCC1 ZINC000558679263 491122849 /nfs/dbraw/zinc/12/28/49/491122849.db2.gz PFBUDDFQQJIXOS-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@H](O)CNCc1ccnn1-c1ccccn1 ZINC000647166185 491124090 /nfs/dbraw/zinc/12/40/90/491124090.db2.gz BJKPBIGCCBYTDM-JTQLQIEISA-N 0 3 232.287 0.738 20 0 BCADHN CCOc1cccc(CNC[C@@](C)(O)CO)c1 ZINC000090285480 491124249 /nfs/dbraw/zinc/12/42/49/491124249.db2.gz RAEVMAREDRTBHM-CYBMUJFWSA-N 0 3 239.315 0.918 20 0 BCADHN C[C@@](O)(CO)CNCc1cc(F)c(F)c(F)c1 ZINC000090286396 491124289 /nfs/dbraw/zinc/12/42/89/491124289.db2.gz JLXUHCNQWQQIBT-NSHDSACASA-N 0 3 249.232 0.937 20 0 BCADHN C[C@H]1C[C@@H](NCCNC(=O)c2ccco2)CO1 ZINC000647169184 491124964 /nfs/dbraw/zinc/12/49/64/491124964.db2.gz DGPCIHLBSLCCEM-VHSXEESVSA-N 0 3 238.287 0.776 20 0 BCADHN CCn1nncc1CN(C)CC1CN(C)C1 ZINC000668538760 491127266 /nfs/dbraw/zinc/12/72/66/491127266.db2.gz GVHIFBRYMXHANL-UHFFFAOYSA-N 0 3 223.324 0.291 20 0 BCADHN CN(Cc1cn(C2CCC2)nn1)CC1CN(C)C1 ZINC000668538514 491127268 /nfs/dbraw/zinc/12/72/68/491127268.db2.gz BHMDRPWQMAHPHL-UHFFFAOYSA-N 0 3 249.362 0.997 20 0 BCADHN CC[C@@H](C(=O)N1CCCOC[C@H]1C)N(C)C ZINC000665772819 491128539 /nfs/dbraw/zinc/12/85/39/491128539.db2.gz UPGDYDJYVRVQHT-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN Cc1ccc(O)c(CN2CCC(=O)N(C)CC2)n1 ZINC000668620275 491128856 /nfs/dbraw/zinc/12/88/56/491128856.db2.gz 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/nfs/dbraw/zinc/98/12/06/582981206.db2.gz CVMQKYGEGJFQNO-UHFFFAOYSA-N 0 3 242.710 0.890 20 0 BCADHN CO[C@H](C)C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892788252 582983596 /nfs/dbraw/zinc/98/35/96/582983596.db2.gz AYCCLNVPVRYBCF-SKDRFNHKSA-N 0 3 226.320 0.622 20 0 BCADHN COC(CCN1CC[C@H](C)C[C@H]1C(N)=O)OC ZINC000851958240 582986139 /nfs/dbraw/zinc/98/61/39/582986139.db2.gz YYOCRCWWAAMACF-UWVGGRQHSA-N 0 3 244.335 0.581 20 0 BCADHN COC(=O)[C@H]1CCN(CCc2cn[nH]n2)[C@H]1C ZINC000851975354 582987866 /nfs/dbraw/zinc/98/78/66/582987866.db2.gz QGCWVOWAWHAIRS-WPRPVWTQSA-N 0 3 238.291 0.231 20 0 BCADHN CCN(C[C@H]1CCC(=O)O1)[C@H](C)CO ZINC000852075400 582997669 /nfs/dbraw/zinc/99/76/69/582997669.db2.gz KGDZFSZFNCNARC-RKDXNWHRSA-N 0 3 201.266 0.395 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1C[C@H]1CCC(=O)O1 ZINC000852089520 582999406 /nfs/dbraw/zinc/99/94/06/582999406.db2.gz OXOUSKMZRMPAQB-VXGBXAGGSA-N 0 3 240.347 0.964 20 0 BCADHN Cc1cc(N)nc(N[C@@H](C)CCCO)n1 ZINC000892884187 583005628 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/nfs/dbraw/zinc/01/75/42/583017542.db2.gz PPNJEEPCFMRYGP-CLAHSXSESA-N 0 3 221.322 0.296 20 0 BCADHN CC[C@@H]1CN(C(=O)c2ccc[n+]([O-])c2)C[C@H](C)N1 ZINC000856409595 588872344 /nfs/dbraw/zinc/87/23/44/588872344.db2.gz VRMTZVXBQPQIGR-CMPLNLGQSA-N 0 3 249.314 0.533 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000852856473 583021349 /nfs/dbraw/zinc/02/13/49/583021349.db2.gz QQIOLFHSNYEGNJ-WHGOUJPWSA-N 0 3 220.272 0.628 20 0 BCADHN CCN1CC[C@H](NC[C@@H](O)c2ccccn2)C1 ZINC000853109406 583028489 /nfs/dbraw/zinc/02/84/89/583028489.db2.gz ZXHFGZGIFWFMMF-WCQYABFASA-N 0 3 235.331 0.799 20 0 BCADHN O=C1CCCCN1CCCNCc1cnccn1 ZINC000856769598 588876848 /nfs/dbraw/zinc/87/68/48/588876848.db2.gz UMOSMYDIKATFFI-UHFFFAOYSA-N 0 3 248.330 0.969 20 0 BCADHN CC(C)[C@H]1CN(C(=O)C2=COCCO2)CCN1 ZINC000856483459 588873569 /nfs/dbraw/zinc/87/35/69/588873569.db2.gz HWKSBOGBEJCKGT-SNVBAGLBSA-N 0 3 240.303 0.331 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)C2=COCC2)CCN1 ZINC000856484269 588873669 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/nfs/dbraw/zinc/05/60/19/583056019.db2.gz GZRPBBGYXAFIPT-NZFNHWASSA-N 0 3 228.321 0.546 20 0 BCADHN OCc1cnccc1NCC1(CO)CCC1 ZINC000893149208 583057690 /nfs/dbraw/zinc/05/76/90/583057690.db2.gz FVGKAOWLRUGFFH-UHFFFAOYSA-N 0 3 222.288 0.570 20 0 BCADHN CC(=O)OC[C@@H](C)NC[C@@H]1CCCS1(=O)=O ZINC000893174865 583064458 /nfs/dbraw/zinc/06/44/58/583064458.db2.gz JERPLDBZFHKEND-SCZZXKLOSA-N 0 3 249.332 0.105 20 0 BCADHN Cc1cc(N)nc(NCCc2ccn(C)n2)n1 ZINC000893178578 583064893 /nfs/dbraw/zinc/06/48/93/583064893.db2.gz DJTHXIKJYDZSBV-UHFFFAOYSA-N 0 3 232.291 0.755 20 0 BCADHN CNS(=O)(=O)CCN1CCC2(CCCC2)C1 ZINC000856727600 588875467 /nfs/dbraw/zinc/87/54/67/588875467.db2.gz RMQVIGBIDKPOLS-UHFFFAOYSA-N 0 3 246.376 0.802 20 0 BCADHN Cc1cc(CN2CC[C@H](CC(N)=O)C2)n(C)n1 ZINC000856743498 588875693 /nfs/dbraw/zinc/87/56/93/588875693.db2.gz NGRRZVXZRUHQIT-SNVBAGLBSA-N 0 3 236.319 0.426 20 0 BCADHN CN(CCN(C)C1CC1)c1cnc(CO)cn1 ZINC000893228528 583074845 /nfs/dbraw/zinc/07/48/45/583074845.db2.gz 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COC(=O)[C@@H]1[C@H](CN[C@H]2CCOC2)C1(F)F ZINC000894355293 583435166 /nfs/dbraw/zinc/43/51/66/583435166.db2.gz WIKFMKSIYOQFIN-FXQIFTODSA-N 0 3 235.230 0.419 20 0 BCADHN Cc1ccnc(N)c1CNC[C@]1(O)CCOC1 ZINC000894359247 583437080 /nfs/dbraw/zinc/43/70/80/583437080.db2.gz NKJFZIVOPLKFDV-GFCCVEGCSA-N 0 3 237.303 0.213 20 0 BCADHN Cc1noc2ncc(CNCCO)cc12 ZINC000894385193 583443720 /nfs/dbraw/zinc/44/37/20/583443720.db2.gz RSTWAPXAOBDZAQ-UHFFFAOYSA-N 0 3 207.233 0.613 20 0 BCADHN NC(=O)[C@H]1C[C@@H](Nc2cc(N)ncc2Cl)C1 ZINC000894388779 583445218 /nfs/dbraw/zinc/44/52/18/583445218.db2.gz LKBNTCUPJSRCTK-OLQVQODUSA-N 0 3 240.694 0.993 20 0 BCADHN Cc1cc(N)nc(NCC[C@@]2(O)CCOC2)n1 ZINC000894388265 583445607 /nfs/dbraw/zinc/44/56/07/583445607.db2.gz ARWZIPCTSADWQZ-LLVKDONJSA-N 0 3 238.291 0.321 20 0 BCADHN O=C(NCCC1CCC1)NC[C@@H]1CNCCO1 ZINC000841858227 583446316 /nfs/dbraw/zinc/44/63/16/583446316.db2.gz OEZBDSBCPDYFQW-NSHDSACASA-N 0 3 241.335 0.464 20 0 BCADHN O=C(NCCC1CCC1)NC[C@H]1CNCCO1 ZINC000841858226 583446379 /nfs/dbraw/zinc/44/63/79/583446379.db2.gz OEZBDSBCPDYFQW-LLVKDONJSA-N 0 3 241.335 0.464 20 0 BCADHN Cc1ncoc1CNCCCOCCO ZINC000894433253 583459129 /nfs/dbraw/zinc/45/91/29/583459129.db2.gz GMAUZHUGFVWBMM-UHFFFAOYSA-N 0 3 214.265 0.472 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN(C)C[C@@H](C)O)C1(F)F ZINC000894451010 583463094 /nfs/dbraw/zinc/46/30/94/583463094.db2.gz XUFKWKAJWICIHE-CSMHCCOUSA-N 0 3 237.246 0.353 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN(C)C[C@H](C)O)C1(F)F ZINC000894451011 583463665 /nfs/dbraw/zinc/46/36/65/583463665.db2.gz XUFKWKAJWICIHE-FXQIFTODSA-N 0 3 237.246 0.353 20 0 BCADHN CC1(C)C[C@H](Nc2ccncc2CO)CO1 ZINC000894481825 583469057 /nfs/dbraw/zinc/46/90/57/583469057.db2.gz SQLCEWPTMCYUJA-JTQLQIEISA-N 0 3 222.288 0.975 20 0 BCADHN Cc1ncoc1CNC[C@]1(O)CCN(C)C1 ZINC000894469956 583469123 /nfs/dbraw/zinc/46/91/23/583469123.db2.gz SHEHIRCRCPMZLE-LLVKDONJSA-N 0 3 225.292 0.139 20 0 BCADHN COc1ccc(CN2CC[C@@H](CC(N)=O)C2)o1 ZINC000894519565 583476726 /nfs/dbraw/zinc/47/67/26/583476726.db2.gz MOKOQEHVXBUZFX-VIFPVBQESA-N 0 3 238.287 0.986 20 0 BCADHN Cc1nnc(CN2CC[C@H]3[C@H]2CCCN3C)[nH]1 ZINC000880143031 583477060 /nfs/dbraw/zinc/47/70/60/583477060.db2.gz XKWQJDHARPJTGR-WDEREUQCSA-N 0 3 235.335 0.782 20 0 BCADHN COCC[C@H](COC)N[C@@H](C)COC(C)=O ZINC000894551349 583482672 /nfs/dbraw/zinc/48/26/72/583482672.db2.gz RJKKRKJQHLLUPY-GXSJLCMTSA-N 0 3 233.308 0.579 20 0 BCADHN COCC[C@@H](COC)N[C@H](C)COC(C)=O ZINC000894551350 583482719 /nfs/dbraw/zinc/48/27/19/583482719.db2.gz RJKKRKJQHLLUPY-KOLCDFICSA-N 0 3 233.308 0.579 20 0 BCADHN CC[C@H](CN[C@@H](C)COC(C)=O)OC ZINC000894555590 583483882 /nfs/dbraw/zinc/48/38/82/583483882.db2.gz YTVGZPAUMDPILX-WCBMZHEXSA-N 0 3 203.282 0.953 20 0 BCADHN CC[C@@H](CO)NCC(=O)NC(C1CC1)C1CC1 ZINC000857328600 588905815 /nfs/dbraw/zinc/90/58/15/588905815.db2.gz DYBXXROERFCHHF-NSHDSACASA-N 0 3 240.347 0.652 20 0 BCADHN Cc1ccnc(N)c1CNCCCCO ZINC000894580190 583488502 /nfs/dbraw/zinc/48/85/02/583488502.db2.gz QOBODRJGOWXZDN-UHFFFAOYSA-N 0 3 209.293 0.834 20 0 BCADHN Cc1ncoc1CNC[C@@]1(O)CCO[C@H]1C ZINC000894595380 583492735 /nfs/dbraw/zinc/49/27/35/583492735.db2.gz OWCDNXKHMJUKDX-ONGXEEELSA-N 0 3 226.276 0.613 20 0 BCADHN COC[C@@H](CO)NC[C@@H](OC)C1CCOCC1 ZINC000894619528 583495269 /nfs/dbraw/zinc/49/52/69/583495269.db2.gz LNQSENOXRPNLDZ-VXGBXAGGSA-N 0 3 247.335 0.025 20 0 BCADHN CO[C@@]1(C)C[C@H]1Nc1ccncc1CO ZINC000894625817 583497711 /nfs/dbraw/zinc/49/77/11/583497711.db2.gz XLQCDHIKGLGYTJ-MNOVXSKESA-N 0 3 208.261 0.585 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(Cc2ocnc2C)C1 ZINC000894645657 583499242 /nfs/dbraw/zinc/49/92/42/583499242.db2.gz SOUXIWFAHCWFBP-LBPRGKRZSA-N 0 3 237.303 0.941 20 0 BCADHN COCC[C@H](CO)NCc1c(C)ccnc1N ZINC000894652606 583500971 /nfs/dbraw/zinc/50/09/71/583500971.db2.gz JVLVMDKWKQIYGG-SNVBAGLBSA-N 0 3 239.319 0.459 20 0 BCADHN CC(C)c1nc(CN[C@@H](C)CCO)n[nH]1 ZINC000894675911 583504261 /nfs/dbraw/zinc/50/42/61/583504261.db2.gz JQCWHWMTNGGCNV-QMMMGPOBSA-N 0 3 212.297 0.789 20 0 BCADHN CC(C)(C)[C@H](O)C[C@H](CO)NCc1c[nH]cn1 ZINC000894691634 583507581 /nfs/dbraw/zinc/50/75/81/583507581.db2.gz ZQJNGSIRFQSKLY-MWLCHTKSSA-N 0 3 241.335 0.657 20 0 BCADHN CC(C)(C)[C@H](O)C[C@H](CO)NCc1cnc[nH]1 ZINC000894691634 583507582 /nfs/dbraw/zinc/50/75/82/583507582.db2.gz ZQJNGSIRFQSKLY-MWLCHTKSSA-N 0 3 241.335 0.657 20 0 BCADHN Cc1noc2ncc(CN(C)CCC(N)=O)cc12 ZINC000894754441 583516033 /nfs/dbraw/zinc/51/60/33/583516033.db2.gz CBAAQEUFBYGPNF-UHFFFAOYSA-N 0 3 248.286 0.838 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H](C)COCCOC ZINC000894774321 583517814 /nfs/dbraw/zinc/51/78/14/583517814.db2.gz RKUDIEBGRYUIRV-QJPTWQEYSA-N 0 3 247.335 0.431 20 0 BCADHN OCc1cnccc1N[C@H]1CO[C@H](C2CC2)C1 ZINC000894779121 583519759 /nfs/dbraw/zinc/51/97/59/583519759.db2.gz WDWRZGPEUOYXAP-YPMHNXCESA-N 0 3 234.299 0.975 20 0 BCADHN O[C@H]1C[C@@H](N[C@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000894779414 583519824 /nfs/dbraw/zinc/51/98/24/583519824.db2.gz YUCYLBYYJCXYCM-YTWAJWBKSA-N 0 3 245.294 0.733 20 0 BCADHN Cc1cnnc(NCCN2CC[C@@H](O)C2)c1 ZINC000894781597 583520239 /nfs/dbraw/zinc/52/02/39/583520239.db2.gz RLNVTHPRXQISTK-SNVBAGLBSA-N 0 3 222.292 0.264 20 0 BCADHN COc1ccc(CNC[C@]2(C)CCC(=O)N2)nc1 ZINC000894803732 583522301 /nfs/dbraw/zinc/52/23/01/583522301.db2.gz ANIMYYUZNBZYDM-ZDUSSCGKSA-N 0 3 249.314 0.849 20 0 BCADHN COC(=O)[C@H]1[C@H](CN(C)C[C@@H](C)O)C1(F)F ZINC000894823315 583526154 /nfs/dbraw/zinc/52/61/54/583526154.db2.gz XUFKWKAJWICIHE-GJMOJQLCSA-N 0 3 237.246 0.353 20 0 BCADHN Cn1cc(CCN2CC[C@H](CF)C2)nn1 ZINC000880300131 583526792 /nfs/dbraw/zinc/52/67/92/583526792.db2.gz BBKJWXBPDXAZEW-SECBINFHSA-N 0 3 212.272 0.649 20 0 BCADHN CN(CCNc1ccncc1CO)CC(F)F ZINC000894829726 583527051 /nfs/dbraw/zinc/52/70/51/583527051.db2.gz DWZNUTHBTKAMHN-UHFFFAOYSA-N 0 3 245.273 0.605 20 0 BCADHN Cc1cnnc(NCCN2CC[C@H](O)C2)c1 ZINC000894833310 583528324 /nfs/dbraw/zinc/52/83/24/583528324.db2.gz RLNVTHPRXQISTK-JTQLQIEISA-N 0 3 222.292 0.264 20 0 BCADHN O[C@H]1CCN(CCNc2nccn3cncc23)C1 ZINC000894833769 583528950 /nfs/dbraw/zinc/52/89/50/583528950.db2.gz YOSCGIMKZWGBEO-JTQLQIEISA-N 0 3 247.302 0.208 20 0 BCADHN CC(=O)OC[C@H](C)NCCc1cn(C)cn1 ZINC000894843349 583530910 /nfs/dbraw/zinc/53/09/10/583530910.db2.gz MMFDORBLSHPZIR-VIFPVBQESA-N 0 3 225.292 0.504 20 0 BCADHN CO[C@H]1COCC[C@H]1N(C)Cc1cnc[nH]1 ZINC000880432129 583533240 /nfs/dbraw/zinc/53/32/40/583533240.db2.gz KSBOLNLPFONQTO-MNOVXSKESA-N 0 3 225.292 0.645 20 0 BCADHN CON(C)C(=O)CCN(C)C[C@@H]1CCCO1 ZINC000788012673 583535625 /nfs/dbraw/zinc/53/56/25/583535625.db2.gz WTQJDGQMXMKKNY-JTQLQIEISA-N 0 3 230.308 0.507 20 0 BCADHN CC[C@@H]1OCC[C@H]1N[C@@H]1CCCS(=O)(=O)C1 ZINC000894867525 583538271 /nfs/dbraw/zinc/53/82/71/583538271.db2.gz OLGCVUPMRQLMJY-MXWKQRLJSA-N 0 3 247.360 0.721 20 0 BCADHN COc1ccc(CNC[C@H]2CCCNC2=O)nc1 ZINC000894867157 583538287 /nfs/dbraw/zinc/53/82/87/583538287.db2.gz KDQXNZAXKUQQFS-SNVBAGLBSA-N 0 3 249.314 0.706 20 0 BCADHN Cc1nn(C)c(C)c1CNC[C@H]1COCO1 ZINC000894869601 583538818 /nfs/dbraw/zinc/53/88/18/583538818.db2.gz COMYJXUQYDDAJT-JTQLQIEISA-N 0 3 225.292 0.499 20 0 BCADHN Cc1ncc(CNC[C@@H]2COCO2)s1 ZINC000894871601 583539448 /nfs/dbraw/zinc/53/94/48/583539448.db2.gz TZTCHRXDLKMRRM-MRVPVSSYSA-N 0 3 214.290 0.914 20 0 BCADHN Cc1ncccc1CNC[C@H]1COCO1 ZINC000894872542 583540026 /nfs/dbraw/zinc/54/00/26/583540026.db2.gz KOXLXDQTIZASBT-NSHDSACASA-N 0 3 208.261 0.853 20 0 BCADHN COc1ccc(CNC[C@@H]2COCO2)cn1 ZINC000894879243 583542772 /nfs/dbraw/zinc/54/27/72/583542772.db2.gz RYXUVTXDMZCMBB-SNVBAGLBSA-N 0 3 224.260 0.553 20 0 BCADHN O=C(CCN1CC=C[C@H]1CO)NC1CCCC1 ZINC000880484833 583543396 /nfs/dbraw/zinc/54/33/96/583543396.db2.gz BNWJNXKIIXUOOM-LBPRGKRZSA-N 0 3 238.331 0.668 20 0 BCADHN CC(C)OCC[C@H](O)CN1CC=C[C@H]1CO ZINC000880491621 583545160 /nfs/dbraw/zinc/54/51/60/583545160.db2.gz KWAPMKOLXVKUBV-RYUDHWBXSA-N 0 3 229.320 0.395 20 0 BCADHN CCOCC[C@@H](O)CN1CC=C[C@H]1CO ZINC000880491161 583545201 /nfs/dbraw/zinc/54/52/01/583545201.db2.gz HMZZHAMXNGTSFY-WDEREUQCSA-N 0 3 215.293 0.007 20 0 BCADHN OC[C@@H]1C=CCN1C[C@@H](O)CC1(O)CCCC1 ZINC000880495097 583545722 /nfs/dbraw/zinc/54/57/22/583545722.db2.gz ZKPUYGPVMGVJFX-RYUDHWBXSA-N 0 3 241.331 0.275 20 0 BCADHN CO[C@@H]1COCC[C@@H]1CNCc1c[nH]cn1 ZINC000894889608 583548163 /nfs/dbraw/zinc/54/81/63/583548163.db2.gz VSMSVDJSKBCVAB-MWLCHTKSSA-N 0 3 225.292 0.551 20 0 BCADHN CCOc1ccc(CNC[C@@H]2CNC(=O)C2)o1 ZINC000894896231 583550192 /nfs/dbraw/zinc/55/01/92/583550192.db2.gz UEOQYVVWKZCVPJ-SECBINFHSA-N 0 3 238.287 0.904 20 0 BCADHN Cc1coc(CN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000894902844 583551772 /nfs/dbraw/zinc/55/17/72/583551772.db2.gz MOGPRXWLMAMUKL-AOOOYVTPSA-N 0 3 234.255 0.292 20 0 BCADHN CNC(=O)C[C@H](C)NCc1c(C)ccnc1N ZINC000894916272 583554850 /nfs/dbraw/zinc/55/48/50/583554850.db2.gz DFYHYRNWRAOWQI-VIFPVBQESA-N 0 3 236.319 0.586 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCCc2cn[nH]c21 ZINC000857845353 588912077 /nfs/dbraw/zinc/91/20/77/588912077.db2.gz GOHOLSXIVPMNMZ-SNVBAGLBSA-N 0 3 236.319 0.903 20 0 BCADHN O=C1NCCC[C@H]1CNCc1c[nH]cn1 ZINC000894983364 583564819 /nfs/dbraw/zinc/56/48/19/583564819.db2.gz CICMEQBGXMBLPO-QMMMGPOBSA-N 0 3 208.265 0.026 20 0 BCADHN O=C1NCCC[C@H]1CNCc1cnc[nH]1 ZINC000894983364 583564820 /nfs/dbraw/zinc/56/48/20/583564820.db2.gz CICMEQBGXMBLPO-QMMMGPOBSA-N 0 3 208.265 0.026 20 0 BCADHN Cc1nc([C@@H]2CCN(Cc3cncn3C)C2)n[nH]1 ZINC000895008460 583569562 /nfs/dbraw/zinc/56/95/62/583569562.db2.gz YJYKZPOOGUMFRE-SNVBAGLBSA-N 0 3 246.318 0.836 20 0 BCADHN Cc1n[nH]c([C@@H]2CCN(Cc3cncn3C)C2)n1 ZINC000895008460 583569563 /nfs/dbraw/zinc/56/95/63/583569563.db2.gz YJYKZPOOGUMFRE-SNVBAGLBSA-N 0 3 246.318 0.836 20 0 BCADHN Cc1nnc([C@@H]2CCN(Cc3cncn3C)C2)[nH]1 ZINC000895008460 583569564 /nfs/dbraw/zinc/56/95/64/583569564.db2.gz YJYKZPOOGUMFRE-SNVBAGLBSA-N 0 3 246.318 0.836 20 0 BCADHN C[N@@H+]1CC[C@H]2CN(c3cc(=O)[n-]cn3)CC[C@@H]21 ZINC000895023490 583569786 /nfs/dbraw/zinc/56/97/86/583569786.db2.gz WFZRYNXKOOETGB-UWVGGRQHSA-N 0 3 234.303 0.713 20 0 BCADHN C[N@H+]1CC[C@H]2CN(c3cc(=O)[n-]cn3)CC[C@@H]21 ZINC000895023490 583569788 /nfs/dbraw/zinc/56/97/88/583569788.db2.gz WFZRYNXKOOETGB-UWVGGRQHSA-N 0 3 234.303 0.713 20 0 BCADHN CC[C@@H](C[C@@H](C)O)Nc1ccncc1CO ZINC000895045590 583571958 /nfs/dbraw/zinc/57/19/58/583571958.db2.gz ZDSIEDJHKYDDEW-KOLCDFICSA-N 0 3 224.304 0.957 20 0 BCADHN CCC[C@H]1CN(c2nccnc2C(N)=O)CCN1 ZINC000895059004 583576209 /nfs/dbraw/zinc/57/62/09/583576209.db2.gz QFHNYFSPBIASEV-VIFPVBQESA-N 0 3 249.318 0.154 20 0 BCADHN CCC[C@@H]1CN(c2nccn3cnnc23)CCN1 ZINC000895059660 583576226 /nfs/dbraw/zinc/57/62/26/583576226.db2.gz VGQNQQXBTGZYRZ-SNVBAGLBSA-N 0 3 246.318 0.703 20 0 BCADHN COC[C@H](O)CCN[C@H]1CCCc2c[nH]nc21 ZINC000857859206 588914031 /nfs/dbraw/zinc/91/40/31/588914031.db2.gz DTDFJOOZDYJHCI-MNOVXSKESA-N 0 3 239.319 0.774 20 0 BCADHN CC[C@H](CNCc1cn[nH]c1)C(=O)OC ZINC000895119800 583593645 /nfs/dbraw/zinc/59/36/45/583593645.db2.gz HTGZLTOKIYYXDR-SECBINFHSA-N 0 3 211.265 0.699 20 0 BCADHN CC[C@H](CNC1CSC1)C(=O)OC ZINC000895121630 583596352 /nfs/dbraw/zinc/59/63/52/583596352.db2.gz IOKMFRJWQFGAFV-SSDOTTSWSA-N 0 3 203.307 0.891 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000895146791 583605085 /nfs/dbraw/zinc/60/50/85/583605085.db2.gz KVHOQLHZNQDNGN-IANFPDNMSA-N 0 3 213.277 0.848 20 0 BCADHN COc1ccc(CN[C@H]2C[C@@H](C(N)=O)C2)nc1 ZINC000895153916 583607316 /nfs/dbraw/zinc/60/73/16/583607316.db2.gz VNLUZUGMFFOMCJ-WAAGHKOSSA-N 0 3 235.287 0.444 20 0 BCADHN CCN1C[C@H](N[C@H]2CCCc3cn[nH]c32)CC1=O ZINC000857867805 588916015 /nfs/dbraw/zinc/91/60/15/588916015.db2.gz KKMJKCKCVSZIRD-MNOVXSKESA-N 0 3 248.330 0.998 20 0 BCADHN COC[C@H](C)N[C@@H]1CCCCNC1=O ZINC000020042099 583612357 /nfs/dbraw/zinc/61/23/57/583612357.db2.gz FOMNVKSHTLJFLE-DTWKUNHWSA-N 0 3 200.282 0.280 20 0 BCADHN C[C@@H](NCc1ccc(=O)[nH]c1)c1n[nH]c(=O)n1C ZINC000895172837 583613042 /nfs/dbraw/zinc/61/30/42/583613042.db2.gz SRENBXRFYFPNNF-SSDOTTSWSA-N 0 3 249.274 0.472 20 0 BCADHN 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ZINC000895243010 583631585 /nfs/dbraw/zinc/63/15/85/583631585.db2.gz XBAUWLPRGAPFBP-UHFFFAOYSA-N 0 3 245.714 0.048 20 0 BCADHN CC(C)c1nc(N(C)C)nc(N2CC=C(N)N2)n1 ZINC000895245362 583631697 /nfs/dbraw/zinc/63/16/97/583631697.db2.gz ACYVGSYJTWSMDG-UHFFFAOYSA-N 0 3 249.322 0.186 20 0 BCADHN Cc1cncc(CCNCc2c[nH]cn2)n1 ZINC000895280268 583636050 /nfs/dbraw/zinc/63/60/50/583636050.db2.gz PZWDVLWPIVXMAC-UHFFFAOYSA-N 0 3 217.276 0.840 20 0 BCADHN Cc1cncc(CCNCc2cnc[nH]2)n1 ZINC000895280268 583636051 /nfs/dbraw/zinc/63/60/51/583636051.db2.gz PZWDVLWPIVXMAC-UHFFFAOYSA-N 0 3 217.276 0.840 20 0 BCADHN CO[C@H](CNC[C@H]1CC(C)=NO1)[C@@H]1CCOC1 ZINC000895300206 583641964 /nfs/dbraw/zinc/64/19/64/583641964.db2.gz JZVAIOFHEODABH-IJLUTSLNSA-N 0 3 242.319 0.792 20 0 BCADHN CON(C)CCN[C@H]1CCCc2c[nH]nc21 ZINC000857872949 588918276 /nfs/dbraw/zinc/91/82/76/588918276.db2.gz SAJLAODGABFYKO-JTQLQIEISA-N 0 3 224.308 0.870 20 0 BCADHN CO[C@H](CN[C@H](C)COC(C)=O)[C@@H]1CCOC1 ZINC000895311426 583647182 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MNIUOSPQBFQYQY-MWLCHTKSSA-N 0 3 242.319 0.794 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)OC1COC1 ZINC000902856693 584685124 /nfs/dbraw/zinc/68/51/24/584685124.db2.gz BGBSVLLWSMVZKA-SNVBAGLBSA-N 0 3 242.319 0.986 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)OC1COC1 ZINC000902864121 584686651 /nfs/dbraw/zinc/68/66/51/584686651.db2.gz FTULNWDYTVHUHX-SNVBAGLBSA-N 0 3 242.319 0.986 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)OC1COC1 ZINC000902900572 584693347 /nfs/dbraw/zinc/69/33/47/584693347.db2.gz REAMWGPPZDLHBV-GZMMTYOYSA-N 0 3 240.303 0.594 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2nccn2C)CCN1C ZINC000902926234 584697421 /nfs/dbraw/zinc/69/74/21/584697421.db2.gz BKNZTRWNPKNOOB-IUCAKERBSA-N 0 3 222.292 0.243 20 0 BCADHN C[C@@H]1[C@H](NC(=O)C(=O)OC(C)(C)C)CCN1C ZINC000902928431 584697727 /nfs/dbraw/zinc/69/77/27/584697727.db2.gz LVPNUAHNBWCIOQ-RKDXNWHRSA-N 0 3 242.319 0.537 20 0 BCADHN CN1CC[C@@]2(CCN(C(=O)OC3COC3)C2)C1 ZINC000902938272 584700753 /nfs/dbraw/zinc/70/07/53/584700753.db2.gz IUZZKLDEKTVTIC-GFCCVEGCSA-N 0 3 240.303 0.549 20 0 BCADHN C[C@H]1CN(C(=O)CCO)CCN1c1ccncc1 ZINC000902965826 584701963 /nfs/dbraw/zinc/70/19/63/584701963.db2.gz LNRLYIDOJHWRQV-NSHDSACASA-N 0 3 249.314 0.501 20 0 BCADHN C[C@H]1[C@@H](NC(=O)OC2COC2)CCN1C ZINC000902968392 584702948 /nfs/dbraw/zinc/70/29/48/584702948.db2.gz HDJUMAGUIXDCPR-CBAPKCEASA-N 0 3 214.265 0.204 20 0 BCADHN CCN(C(=O)OC1COC1)[C@H]1CCN(C)C1 ZINC000902952696 584704641 /nfs/dbraw/zinc/70/46/41/584704641.db2.gz AVOCHIAQKFWYNO-VIFPVBQESA-N 0 3 228.292 0.548 20 0 BCADHN Nc1ccnc2c1CN(C(=O)OC1COC1)CC2 ZINC000902961194 584706548 /nfs/dbraw/zinc/70/65/48/584706548.db2.gz NMDSCSBAGHXNQD-UHFFFAOYSA-N 0 3 249.270 0.557 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)CCO ZINC000902964701 584707647 /nfs/dbraw/zinc/70/76/47/584707647.db2.gz SXLHVPWJYNAAGA-VHSXEESVSA-N 0 3 212.293 0.064 20 0 BCADHN C[C@H](O)CCN1CC[C@H](Nc2ncccn2)C1 ZINC000903019192 584713952 /nfs/dbraw/zinc/71/39/52/584713952.db2.gz KAIAAXGLDZSRII-QWRGUYRKSA-N 0 3 236.319 0.734 20 0 BCADHN Cc1cc(CN[C@@H]2CCO[C@@]23CCOC3)ncn1 ZINC000903126011 584729820 /nfs/dbraw/zinc/72/98/20/584729820.db2.gz BHDMPMBOINKUGW-CHWSQXEVSA-N 0 3 249.314 0.823 20 0 BCADHN Cc1cc(CN[C@H]2CCO[C@]23CCOC3)ncn1 ZINC000903126125 584729853 /nfs/dbraw/zinc/72/98/53/584729853.db2.gz BHDMPMBOINKUGW-STQMWFEESA-N 0 3 249.314 0.823 20 0 BCADHN Cc1cc(CN[C@H]2CCO[C@@]23CCOC3)ncn1 ZINC000903126124 584729900 /nfs/dbraw/zinc/72/99/00/584729900.db2.gz BHDMPMBOINKUGW-QWHCGFSZSA-N 0 3 249.314 0.823 20 0 BCADHN CCn1nncc1CN[C@H]1CCC[C@@H]1OC ZINC000903207754 584736307 /nfs/dbraw/zinc/73/63/07/584736307.db2.gz ZYEGLSFQPHSGCL-QWRGUYRKSA-N 0 3 224.308 0.955 20 0 BCADHN CO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)N(C)OC ZINC000903208835 584736514 /nfs/dbraw/zinc/73/65/14/584736514.db2.gz AIIKRGLRBAGJSG-OPRDCNLKSA-N 0 3 230.308 0.552 20 0 BCADHN C[C@H](N[C@H]1CCN(C)[C@H]1C)c1ccc(=O)[nH]n1 ZINC000903302155 584744547 /nfs/dbraw/zinc/74/45/47/584744547.db2.gz WZJXGJUUHGPMIN-QXEWZRGKSA-N 0 3 236.319 0.925 20 0 BCADHN C[C@@H](N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cnnn1C ZINC000903288887 584745871 /nfs/dbraw/zinc/74/58/71/584745871.db2.gz ZIUPTHLQHJFQLL-DFPQRNHTSA-N 0 3 234.303 0.642 20 0 BCADHN CN1C[C@H]2CCN(C(=O)OCCF)[C@@H]2C1 ZINC000859166485 589007498 /nfs/dbraw/zinc/00/74/98/589007498.db2.gz BXMRGRSWNRYBDK-RKDXNWHRSA-N 0 3 216.256 0.728 20 0 BCADHN C[C@@H](NCCCc1nnnn1C)c1ccnn1C ZINC000903349098 584753299 /nfs/dbraw/zinc/75/32/99/584753299.db2.gz QHKYYDCHHPIODK-SECBINFHSA-N 0 3 249.322 0.227 20 0 BCADHN CCON1CCC(NCc2cn(C)cn2)CC1 ZINC000903352381 584755185 /nfs/dbraw/zinc/75/51/85/584755185.db2.gz TVUQGIWJUMXFPK-UHFFFAOYSA-N 0 3 238.335 0.926 20 0 BCADHN N[C@@H]1CN(CCOC2CC2)CC[C@H]1F ZINC000903464377 584767944 /nfs/dbraw/zinc/76/79/44/584767944.db2.gz LCDXAMKSWYBLGC-NXEZZACHSA-N 0 3 202.273 0.537 20 0 BCADHN CC[C@@H]1C[C@H]1CN1CCCNC[C@H]1C(=O)OC ZINC000903452427 584771682 /nfs/dbraw/zinc/77/16/82/584771682.db2.gz LTISTPOLHUDIOH-WOPDTQHZSA-N 0 3 240.347 0.869 20 0 BCADHN O=S(=O)(N[C@@H]1C[C@@H]2CCC[C@@H]12)C1CNC1 ZINC000903555671 584783235 /nfs/dbraw/zinc/78/32/35/584783235.db2.gz WZXKKTZHVZZECZ-FXBDTBDDSA-N 0 3 230.333 0.066 20 0 BCADHN Cc1cn(C)nc1CN1CCNC[C@H]1C(F)F ZINC000903749342 584794712 /nfs/dbraw/zinc/79/47/12/584794712.db2.gz JDRRMHCLFHEMGH-JTQLQIEISA-N 0 3 244.289 0.767 20 0 BCADHN Cc1cn(C)nc1CN1CCNC[C@@H]1C(F)F ZINC000903749343 584795147 /nfs/dbraw/zinc/79/51/47/584795147.db2.gz JDRRMHCLFHEMGH-SNVBAGLBSA-N 0 3 244.289 0.767 20 0 BCADHN CC(C)(C)[C@@H](CO)NCc1ccc(N)nn1 ZINC000904337973 584863297 /nfs/dbraw/zinc/86/32/97/584863297.db2.gz KKWAOGPNBVQHHU-SECBINFHSA-N 0 3 224.308 0.555 20 0 BCADHN CN(Cc1ccc(N)nn1)[C@H]1CCN(C2CC2)C1 ZINC000904316600 584863811 /nfs/dbraw/zinc/86/38/11/584863811.db2.gz QOQICNWCGVLKNN-LBPRGKRZSA-N 0 3 247.346 0.727 20 0 BCADHN C[C@H](O)C(C)(C)NCc1ccc(N)nn1 ZINC000904328408 584865301 /nfs/dbraw/zinc/86/53/01/584865301.db2.gz DMHKQWJUPZDPGO-ZETCQYMHSA-N 0 3 210.281 0.308 20 0 BCADHN CC1(NCc2ccc(N)nn2)CCOCC1 ZINC000904328488 584865351 /nfs/dbraw/zinc/86/53/51/584865351.db2.gz FGJQSOZBQSZMHQ-UHFFFAOYSA-N 0 3 222.292 0.718 20 0 BCADHN C[C@@H]1CC[C@H](CNCc2ccc(N)nn2)O1 ZINC000904370657 584873064 /nfs/dbraw/zinc/87/30/64/584873064.db2.gz CVAKKAHFAIZQPD-PSASIEDQSA-N 0 3 222.292 0.716 20 0 BCADHN COC(=O)C1(CNCc2ccc(N)nn2)CC1 ZINC000904369525 584873255 /nfs/dbraw/zinc/87/32/55/584873255.db2.gz YDIVPQOXCPPMGB-UHFFFAOYSA-N 0 3 236.275 0.102 20 0 BCADHN Nc1ccc(CN[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)nn1 ZINC000904383684 584877495 /nfs/dbraw/zinc/87/74/95/584877495.db2.gz CKBLBENWYFYVGU-RSOVMYGHSA-N 0 3 246.314 0.572 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)OCCF)C[C@@H]21 ZINC000859179409 589014799 /nfs/dbraw/zinc/01/47/99/589014799.db2.gz RIWYQCILMVVQJG-BDAKNGLRSA-N 0 3 216.256 0.728 20 0 BCADHN O=C(CN[C@H]1CCCOC1)NCc1ccco1 ZINC000346176884 584892774 /nfs/dbraw/zinc/89/27/74/584892774.db2.gz IECMJRZVILAYAT-JTQLQIEISA-N 0 3 238.287 0.664 20 0 BCADHN COC/C=C/C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000827491484 584898960 /nfs/dbraw/zinc/89/89/60/584898960.db2.gz QMSLJTUGGSQYLH-BTDICHCPSA-N 0 3 240.347 0.988 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@H]1CCCN1C ZINC000730287185 584899598 /nfs/dbraw/zinc/89/95/98/584899598.db2.gz HGXHUOVLXTVQDA-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)[C@@]1(F)CCNC1 ZINC000827683469 584900117 /nfs/dbraw/zinc/90/01/17/584900117.db2.gz HTXXEGAAMNPLQJ-JOYOIKCWSA-N 0 3 241.310 0.041 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@]1(F)CCNC1 ZINC000827683470 584900413 /nfs/dbraw/zinc/90/04/13/584900413.db2.gz HTXXEGAAMNPLQJ-SKDRFNHKSA-N 0 3 241.310 0.041 20 0 BCADHN C/C(=C/C(=O)NC[C@@]1(O)CCN(C)C1)C1CC1 ZINC000762722040 584915156 /nfs/dbraw/zinc/91/51/56/584915156.db2.gz JCFPDUHSIGUGND-SZNGSJQDSA-N 0 3 238.331 0.526 20 0 BCADHN CN1CCC[C@H](NC(=O)C2=COCCC2)C1 ZINC000730777096 584915558 /nfs/dbraw/zinc/91/55/58/584915558.db2.gz FKUZYKQQZFSHKJ-NSHDSACASA-N 0 3 224.304 0.891 20 0 BCADHN CC(C)N1CCN(CCC(=O)N2CCC2)CC1 ZINC000730817377 584916831 /nfs/dbraw/zinc/91/68/31/584916831.db2.gz RFRZASNIRVVMOD-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CC1CCN(C(=O)CN[C@@H](CO)C2CC2)CC1 ZINC000763074013 584919806 /nfs/dbraw/zinc/91/98/06/584919806.db2.gz WWRXWBMKHWJKQC-LBPRGKRZSA-N 0 3 240.347 0.605 20 0 BCADHN CC1CCN(C(=O)CN[C@H](CO)C2CC2)CC1 ZINC000763074011 584919911 /nfs/dbraw/zinc/91/99/11/584919911.db2.gz WWRXWBMKHWJKQC-GFCCVEGCSA-N 0 3 240.347 0.605 20 0 BCADHN CCCN(C)CC(=O)N1CCC2(C1)OCCO2 ZINC000731225542 584923964 /nfs/dbraw/zinc/92/39/64/584923964.db2.gz FDSVMBNMIIFZOV-UHFFFAOYSA-N 0 3 242.319 0.304 20 0 BCADHN CNC(=S)N1CCC(OCCN(C)C)CC1 ZINC000732624668 584939551 /nfs/dbraw/zinc/93/95/51/584939551.db2.gz UWBGXDWJSUESRS-UHFFFAOYSA-N 0 3 245.392 0.533 20 0 BCADHN COCC1CCN(CCN2CCOC2=O)CC1 ZINC000732811205 584941269 /nfs/dbraw/zinc/94/12/69/584941269.db2.gz OVCUWGXNXJCCOE-UHFFFAOYSA-N 0 3 242.319 0.797 20 0 BCADHN CN(C)c1ncc(CN[C@@H](CO)C2CC2)cn1 ZINC000734164125 584959168 /nfs/dbraw/zinc/95/91/68/584959168.db2.gz KKOZGJYCQLZCSF-NSHDSACASA-N 0 3 236.319 0.403 20 0 BCADHN CCCN(C)CC(=O)NC(C)(C)c1cn[nH]n1 ZINC000734576063 584965048 /nfs/dbraw/zinc/96/50/48/584965048.db2.gz CIMCDQSNXOAJTG-UHFFFAOYSA-N 0 3 239.323 0.498 20 0 BCADHN COC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000735058585 584972352 /nfs/dbraw/zinc/97/23/52/584972352.db2.gz TZUKHPQTHCRBBP-MRVPVSSYSA-N 0 3 202.254 0.015 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C2=CCCCO2)C1 ZINC000816950405 584982352 /nfs/dbraw/zinc/98/23/52/584982352.db2.gz RIOKOFHPWXHVMA-QWRGUYRKSA-N 0 3 236.315 0.843 20 0 BCADHN O=C(NC[C@H]1CCN(C2CC2)C1)c1ncccn1 ZINC000735877819 584983241 /nfs/dbraw/zinc/98/32/41/584983241.db2.gz BUTPESSVNVLOCQ-SNVBAGLBSA-N 0 3 246.314 0.691 20 0 BCADHN CCC[C@H](CNC(=S)NCCN(C)C)OC ZINC000840773780 584986831 /nfs/dbraw/zinc/98/68/31/584986831.db2.gz GADCVIXFBYNFJO-SNVBAGLBSA-N 0 3 247.408 0.827 20 0 BCADHN C[C@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736145702 584990348 /nfs/dbraw/zinc/99/03/48/584990348.db2.gz WOONSWOEHVETEM-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736145702 584990349 /nfs/dbraw/zinc/99/03/49/584990349.db2.gz WOONSWOEHVETEM-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN Cc1cc(C(=O)N2CCN3CC[C@H]2C3)nn1C ZINC000615563787 585009872 /nfs/dbraw/zinc/00/98/72/585009872.db2.gz VITBLVZQZOXGJD-JTQLQIEISA-N 0 3 234.303 0.259 20 0 BCADHN CC(C)N1CCN(C(C)(C)CO)CC1 ZINC000201174337 585029188 /nfs/dbraw/zinc/02/91/88/585029188.db2.gz ZQWDYBLJRMTVPV-UHFFFAOYSA-N 0 3 200.326 0.783 20 0 BCADHN CCO[C@@H]1C[C@H]1COC(=O)C1CCN(C)C1=O ZINC000774331102 585030466 /nfs/dbraw/zinc/03/04/66/585030466.db2.gz WRRALGWZCBLFCH-LPEHRKFASA-N 0 3 241.287 0.433 20 0 BCADHN CCO[C@@H]1C[C@@H]1COC(=O)C1CCN(C)C1=O ZINC000774331112 585030553 /nfs/dbraw/zinc/03/05/53/585030553.db2.gz WRRALGWZCBLFCH-OPRDCNLKSA-N 0 3 241.287 0.433 20 0 BCADHN CC[C@@H](COC)NC(=S)NCCN(C)C ZINC000737462727 585033019 /nfs/dbraw/zinc/03/30/19/585033019.db2.gz VTOGMUPAUJSSQX-VIFPVBQESA-N 0 3 233.381 0.437 20 0 BCADHN CN1CCC2(CCN2C(=O)[C@H]2CCOC2)CC1 ZINC000742185540 585034414 /nfs/dbraw/zinc/03/44/14/585034414.db2.gz JGEQRKABTUXCNI-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN Cc1n[nH]c(CNC[C@]2(O)CCO[C@@H]2C)c1C ZINC000886099362 585037315 /nfs/dbraw/zinc/03/73/15/585037315.db2.gz YAIQDIQQGZGDTQ-ZYHUDNBSSA-N 0 3 239.319 0.656 20 0 BCADHN CCN(C[C@H]1CCOC1)CN1CCOC1=S ZINC000738081854 585040968 /nfs/dbraw/zinc/04/09/68/585040968.db2.gz OKHYVRDHQXGGRU-SNVBAGLBSA-N 0 3 244.360 0.919 20 0 BCADHN CN1CCC[C@@H](CNC(=O)NOCC2CC2)C1 ZINC000838608619 585061781 /nfs/dbraw/zinc/06/17/81/585061781.db2.gz FOEWDOYICIJFPX-NSHDSACASA-N 0 3 241.335 0.969 20 0 BCADHN C[C@@H](CNC(=O)N[C@H](CCO)C1CC1)N(C)C ZINC000838684439 585064420 /nfs/dbraw/zinc/06/44/20/585064420.db2.gz NAJKBOKFQMNHIV-GXSJLCMTSA-N 0 3 243.351 0.397 20 0 BCADHN CCn1ncc(CN2CCCN(CC)CC2)n1 ZINC000838780767 585069707 /nfs/dbraw/zinc/06/97/07/585069707.db2.gz FVGQKTMDVWOAHF-UHFFFAOYSA-N 0 3 237.351 0.826 20 0 BCADHN O[C@H](CN1CCOC[C@@H]1C1CC1)C1CC1 ZINC000838906414 585077692 /nfs/dbraw/zinc/07/76/92/585077692.db2.gz LHEAQXWNLRZFPM-VXGBXAGGSA-N 0 3 211.305 0.868 20 0 BCADHN CCOCCN(C)CCC(=O)N1CCCC1 ZINC000838910668 585077917 /nfs/dbraw/zinc/07/79/17/585077917.db2.gz HGZPZECMTOVZJS-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN COC(=O)CC1(NCC(OC)OC)CCC1 ZINC000838919389 585078302 /nfs/dbraw/zinc/07/83/02/585078302.db2.gz HTNPECCFPUNOLJ-UHFFFAOYSA-N 0 3 231.292 0.681 20 0 BCADHN CN(C[C@H](O)C1CC1)C1(C(N)=O)CCCC1 ZINC000838900775 585079957 /nfs/dbraw/zinc/07/99/57/585079957.db2.gz KURSYEHCXDNABI-JTQLQIEISA-N 0 3 226.320 0.487 20 0 BCADHN COC[C@@](C)(CC(=O)OC)NC[C@@H](O)C1CC1 ZINC000838900796 585080027 /nfs/dbraw/zinc/08/00/27/585080027.db2.gz OXXZFHFCDDGKHD-ZYHUDNBSSA-N 0 3 245.319 0.315 20 0 BCADHN CCn1ncc(CNCCN2CC[C@@H](C)C2)n1 ZINC000838988145 585084623 /nfs/dbraw/zinc/08/46/23/585084623.db2.gz GUCVIHCJDBJTFI-LLVKDONJSA-N 0 3 237.351 0.729 20 0 BCADHN CCNC(=O)[C@@H](NC[C@H](O)C1CC1)C(C)C ZINC000839024990 585087904 /nfs/dbraw/zinc/08/79/04/585087904.db2.gz DSWMDFPRMLNSFS-QWRGUYRKSA-N 0 3 228.336 0.508 20 0 BCADHN CCN(C)C(=O)[C@@H](NC[C@@H](O)C1CC1)C(C)C ZINC000839026646 585088037 /nfs/dbraw/zinc/08/80/37/585088037.db2.gz VLXPGMVLDFEUFU-NEPJUHHUSA-N 0 3 242.363 0.850 20 0 BCADHN CN(C)C(=O)O[C@H]1CCN(C[C@@H](O)C2CC2)C1 ZINC000839025916 585088170 /nfs/dbraw/zinc/08/81/70/585088170.db2.gz GRZDWYOWDIDHRF-WDEREUQCSA-N 0 3 242.319 0.530 20 0 BCADHN CCn1ncc(CN2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000839110440 585091486 /nfs/dbraw/zinc/09/14/86/585091486.db2.gz GVYPSDQDFSOMDW-ZYHUDNBSSA-N 0 3 235.335 0.434 20 0 BCADHN CCn1ncc(CN2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000839110434 585091566 /nfs/dbraw/zinc/09/15/66/585091566.db2.gz GVYPSDQDFSOMDW-CMPLNLGQSA-N 0 3 235.335 0.434 20 0 BCADHN CO[C@@H]1C[C@@H](NCC2OCCO2)C12CCC2 ZINC000839188816 585097073 /nfs/dbraw/zinc/09/70/73/585097073.db2.gz IVKXBAUOEXOACD-NXEZZACHSA-N 0 3 227.304 0.907 20 0 BCADHN CCC1(C(=O)NC(C)(C)CN(C)C)COC1 ZINC000839441892 585103882 /nfs/dbraw/zinc/10/38/82/585103882.db2.gz TYIOIWCRIMGZNS-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN O=C1OCCN1CCN(CCCCO)C1CC1 ZINC000741386289 585113305 /nfs/dbraw/zinc/11/33/05/585113305.db2.gz BAUZBZUAJZSNNT-UHFFFAOYSA-N 0 3 242.319 0.676 20 0 BCADHN CNC(=S)NCCN(C)CCCOC ZINC000741509252 585115245 /nfs/dbraw/zinc/11/52/45/585115245.db2.gz OAFHZGFRBXNELA-UHFFFAOYSA-N 0 3 219.354 0.049 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cnsn2)CCN1C ZINC000741724011 585116786 /nfs/dbraw/zinc/11/67/86/585116786.db2.gz LUHUICRAIFDGPD-HTQZYQBOSA-N 0 3 240.332 0.751 20 0 BCADHN CN1CCC2(CCN2C(=O)[C@@H]2CCCO2)CC1 ZINC000742184613 585122695 /nfs/dbraw/zinc/12/26/95/585122695.db2.gz YWWOVWBGUBGEKP-NSHDSACASA-N 0 3 238.331 0.862 20 0 BCADHN CO[C@@H]1COCC[C@H]1N(C)Cc1[nH]ncc1C ZINC000886318081 585122738 /nfs/dbraw/zinc/12/27/38/585122738.db2.gz IYHOGWWAVAQWLU-VXGBXAGGSA-N 0 3 239.319 0.954 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1cnccn1 ZINC000742238983 585123611 /nfs/dbraw/zinc/12/36/11/585123611.db2.gz 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585279770 /nfs/dbraw/zinc/27/97/70/585279770.db2.gz BZBRCEGYSJDUEG-JTQLQIEISA-N 0 3 243.303 0.825 20 0 BCADHN CN(C(=O)C1CCN(C)CC1)c1cn[nH]c1 ZINC000754348071 585282682 /nfs/dbraw/zinc/28/26/82/585282682.db2.gz CMSXDMFTVWHZCH-UHFFFAOYSA-N 0 3 222.292 0.714 20 0 BCADHN C[C@H]1COCCN(CCCN2CCCC2=O)C1 ZINC000754381326 585283780 /nfs/dbraw/zinc/28/37/80/585283780.db2.gz FDBIWRWAXWHCOK-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN C[C@@H]1COCCN(CCCN2CCOC2=O)C1 ZINC000754384481 585283881 /nfs/dbraw/zinc/28/38/81/585283881.db2.gz AYVAQTDXOYJTOF-NSHDSACASA-N 0 3 242.319 0.797 20 0 BCADHN C[C@@H]1COCCN(CCn2ccccc2=O)C1 ZINC000754381314 585283972 /nfs/dbraw/zinc/28/39/72/585283972.db2.gz DNSGHRQPCMAVLY-LBPRGKRZSA-N 0 3 236.315 0.817 20 0 BCADHN COC(=O)C[C@H](N[C@@H](C)C(=O)N(C)C)C1CC1 ZINC000754536145 585285468 /nfs/dbraw/zinc/28/54/68/585285468.db2.gz CNVLFDZTUQQFAV-WPRPVWTQSA-N 0 3 242.319 0.394 20 0 BCADHN COC(=O)C[C@@H](N[C@H]1CCN(C)C1=O)C1CC1 ZINC000754536698 585285474 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PNZFLRFCUYTXOB-JTQLQIEISA-N 0 3 213.277 0.851 20 0 BCADHN C[C@@H]1CC(C)(C)CN1CCS(N)(=O)=O ZINC000839659461 585333536 /nfs/dbraw/zinc/33/35/36/585333536.db2.gz DZZUQVRVLZAFMR-MRVPVSSYSA-N 0 3 220.338 0.395 20 0 BCADHN C[C@H]1[C@H](CO)CCCN1CCN1CCOC1=O ZINC000839668851 585333344 /nfs/dbraw/zinc/33/33/44/585333344.db2.gz IMTOYKGBIYQHPO-QWRGUYRKSA-N 0 3 242.319 0.531 20 0 BCADHN C[C@@H](O)[C@@H]1CN(C[Si](C)(C)C)CCO1 ZINC000839671290 585336271 /nfs/dbraw/zinc/33/62/71/585336271.db2.gz LAKQCIRJYCDICP-ZJUUUORDSA-N 0 3 217.385 0.945 20 0 BCADHN Cc1ccc(C(=O)NCCN2CCC[C@H]2C)nn1 ZINC000839728481 585338849 /nfs/dbraw/zinc/33/88/49/585338849.db2.gz NCXQCXGJHHUGAM-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN COC(OC)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC000839765103 585339057 /nfs/dbraw/zinc/33/90/57/585339057.db2.gz QRUQNLGBUSZBOF-UWVGGRQHSA-N 0 3 246.351 0.696 20 0 BCADHN CNC(=S)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000757545597 585341253 /nfs/dbraw/zinc/34/12/53/585341253.db2.gz VIRSDOSKWRYILD-APPZFPTMSA-N 0 3 213.350 0.563 20 0 BCADHN CON(C(=O)C(C)S(C)(=O)=O)C1CCCC1 ZINC000757629666 585343295 /nfs/dbraw/zinc/34/32/95/585343295.db2.gz NOJMPAPYBXSZLP-MRVPVSSYSA-N 0 3 249.332 0.752 20 0 BCADHN CCONC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000757727315 585344923 /nfs/dbraw/zinc/34/49/23/585344923.db2.gz OCLAJSUOXOJKEJ-PSASIEDQSA-N 0 3 227.308 0.720 20 0 BCADHN FCCN1CC[C@H](CN2CCOCC2)C1 ZINC000759345913 585370166 /nfs/dbraw/zinc/37/01/66/585370166.db2.gz UMOVYIMGYMOFGV-NSHDSACASA-N 0 3 216.300 0.610 20 0 BCADHN CN(C)CCNC(=S)N(C)C[C@H]1CCCO1 ZINC000760506175 585393414 /nfs/dbraw/zinc/39/34/14/585393414.db2.gz CZMGRLVBFIFIRK-SNVBAGLBSA-N 0 3 245.392 0.533 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)c1cncnc1 ZINC000760616580 585394749 /nfs/dbraw/zinc/39/47/49/585394749.db2.gz MJYMEXSLZYXYHQ-LLVKDONJSA-N 0 3 236.319 0.793 20 0 BCADHN O=C1CN(CCN2CCCC2)CCN1C1CC1 ZINC000760842264 585399055 /nfs/dbraw/zinc/39/90/55/585399055.db2.gz FIWPXSJVOQMJRP-UHFFFAOYSA-N 0 3 237.347 0.389 20 0 BCADHN C[C@H]1CN(CC[C@@H]2CCOC2=O)CCN1C ZINC000761069291 585404296 /nfs/dbraw/zinc/40/42/96/585404296.db2.gz JRMNDHHXLRANFQ-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN O=C1OCCN1CCCN1CC[C@H]2C[C@H]21 ZINC000761091264 585408267 /nfs/dbraw/zinc/40/82/67/585408267.db2.gz LZAHNWHUQKPLJX-VHSXEESVSA-N 0 3 210.277 0.923 20 0 BCADHN COCCCNC(=O)[C@H](C)N1CC[C@H]2C[C@H]21 ZINC000761098993 585409204 /nfs/dbraw/zinc/40/92/04/585409204.db2.gz VXCWIMQZMKLCNE-GARJFASQSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1C[C@H](O)CN1CC[C@H]1CCOC1=O ZINC000761104836 585409491 /nfs/dbraw/zinc/40/94/91/585409491.db2.gz ILUPQTISLYXVKX-UTLUCORTSA-N 0 3 213.277 0.395 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H]1COC(C)(C)O1 ZINC000761681238 585418018 /nfs/dbraw/zinc/41/80/18/585418018.db2.gz IAYITHIEIGRBAK-SNVBAGLBSA-N 0 3 244.335 0.596 20 0 BCADHN CCC/C=C\C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000762715170 585436122 /nfs/dbraw/zinc/43/61/22/585436122.db2.gz ALCQRWGQIFRNKK-FJOGCWAESA-N 0 3 226.320 0.526 20 0 BCADHN CCC/C(C)=C/C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000762723305 585436332 /nfs/dbraw/zinc/43/63/32/585436332.db2.gz SGTLIKYTASESMB-YKWSONSWSA-N 0 3 240.347 0.916 20 0 BCADHN COC(=O)CCNC(=O)C1(N(C)C)CCC1 ZINC000762972326 585440416 /nfs/dbraw/zinc/44/04/16/585440416.db2.gz NHJPKNKFEWADDN-UHFFFAOYSA-N 0 3 228.292 0.150 20 0 BCADHN CCOC(=O)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC000763004676 585441018 /nfs/dbraw/zinc/44/10/18/585441018.db2.gz VLCTXCFLMDFICI-SECBINFHSA-N 0 3 242.319 0.539 20 0 BCADHN Cc1nccc(CNC(=O)C2(N(C)C)CCC2)n1 ZINC000763004436 585441064 /nfs/dbraw/zinc/44/10/64/585441064.db2.gz TTZWMPQNJFJNQB-UHFFFAOYSA-N 0 3 248.330 0.886 20 0 BCADHN CC(=O)NCCCNC(=O)C1(N(C)C)CCC1 ZINC000763021430 585441521 /nfs/dbraw/zinc/44/15/21/585441521.db2.gz RKQKBWDRLHLIKC-UHFFFAOYSA-N 0 3 241.335 0.113 20 0 BCADHN COC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000763044408 585442178 /nfs/dbraw/zinc/44/21/78/585442178.db2.gz NLGJDHNMZLKYOE-UHFFFAOYSA-N 0 3 212.293 0.328 20 0 BCADHN CN(C)C1(C(=O)N(C)Cc2cc[nH]n2)CCC1 ZINC000763043381 585442263 /nfs/dbraw/zinc/44/22/63/585442263.db2.gz FJWSAYUBPYQSCH-UHFFFAOYSA-N 0 3 236.319 0.852 20 0 BCADHN CCC[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC000763072827 585442797 /nfs/dbraw/zinc/44/27/97/585442797.db2.gz OLQXQJVXDIMUEE-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CCCN(CCC)C(=O)CN[C@H](CO)C1CC1 ZINC000763075069 585443022 /nfs/dbraw/zinc/44/30/22/585443022.db2.gz ZYPOJFFOKHYALF-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](N[C@@H](CO)C1CC1)C(=O)NC1CCCC1 ZINC000763075072 585443074 /nfs/dbraw/zinc/44/30/74/585443074.db2.gz ZZEVHMOBGGTAOV-CABZTGNLSA-N 0 3 240.347 0.794 20 0 BCADHN O=C1O[C@H](CN(CCO)C2CC2)CC12CC2 ZINC000763659506 585451837 /nfs/dbraw/zinc/45/18/37/585451837.db2.gz HMIRFHLEHFOXGL-JTQLQIEISA-N 0 3 225.288 0.539 20 0 BCADHN CCN(CCCO)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763693449 585452684 /nfs/dbraw/zinc/45/26/84/585452684.db2.gz BOVICBQETWHNCG-SNVBAGLBSA-N 0 3 227.304 0.786 20 0 BCADHN CN(C[C@H](O)C1CC1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763703923 585452949 /nfs/dbraw/zinc/45/29/49/585452949.db2.gz XZJIJTZYZOEPLD-MNOVXSKESA-N 0 3 239.315 0.785 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CC3(CC3)C(=O)O2)C[C@H]1O ZINC000763742027 585453426 /nfs/dbraw/zinc/45/34/26/585453426.db2.gz WRQGDBLPXZBSDV-KXUCPTDWSA-N 0 3 225.288 0.395 20 0 BCADHN CN(C[C@@H]1CC2(CC2)C(=O)O1)CC1(O)CCC1 ZINC000763755446 585453936 /nfs/dbraw/zinc/45/39/36/585453936.db2.gz PYRSGPZDUDQMKN-JTQLQIEISA-N 0 3 239.315 0.929 20 0 BCADHN O=C1O[C@H](CN(CCO)C2CCC2)CC12CC2 ZINC000763780437 585454278 /nfs/dbraw/zinc/45/42/78/585454278.db2.gz NYGUOFZJMATDTM-NSHDSACASA-N 0 3 239.315 0.929 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)CCC1OCCO1 ZINC000763878475 585456020 /nfs/dbraw/zinc/45/60/20/585456020.db2.gz KZZDJNLHILIEME-LLVKDONJSA-N 0 3 247.335 0.467 20 0 BCADHN CN(CCC1OCCCO1)[C@@]1(CO)CCOC1 ZINC000763880592 585456155 /nfs/dbraw/zinc/45/61/55/585456155.db2.gz IKMQUKINAZSEBZ-GFCCVEGCSA-N 0 3 245.319 0.223 20 0 BCADHN CC(C)OC[C@H](CO)N(C)CCC1OCCO1 ZINC000763878476 585456324 /nfs/dbraw/zinc/45/63/24/585456324.db2.gz KZZDJNLHILIEME-NSHDSACASA-N 0 3 247.335 0.467 20 0 BCADHN C[C@@H](CO)NC(=O)NC[C@H](C)N1CCCCC1 ZINC000764213122 585461585 /nfs/dbraw/zinc/46/15/85/585461585.db2.gz RWKQTLLHKMUDPA-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C(=S)NCCN(C)C ZINC000764491644 585466855 /nfs/dbraw/zinc/46/68/55/585466855.db2.gz VKIDBVILFLLDGG-ZJUUUORDSA-N 0 3 245.392 0.532 20 0 BCADHN CCN1CCC(NC(=O)CN(C)OC)CC1 ZINC000765006009 585479448 /nfs/dbraw/zinc/47/94/48/585479448.db2.gz QVORPUBKGHNPAI-UHFFFAOYSA-N 0 3 229.324 0.080 20 0 BCADHN CC[C@@H](C(=O)NCc1ccon1)N(C)C ZINC000765768495 585492569 /nfs/dbraw/zinc/49/25/69/585492569.db2.gz QQCYANMQURWFNM-VIFPVBQESA-N 0 3 211.265 0.631 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)C1(N(C)C)CCC1 ZINC000765849955 585493354 /nfs/dbraw/zinc/49/33/54/585493354.db2.gz HCUZSFNFLLFJDL-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN CCc1cc(C)nc(NC[C@@H](O)CN(C)C)n1 ZINC000766062678 585497138 /nfs/dbraw/zinc/49/71/38/585497138.db2.gz FUEJUDIJCUEUCD-LLVKDONJSA-N 0 3 238.335 0.682 20 0 BCADHN Cc1nccn1CCN1CCN(C)[C@@H](C)C1 ZINC000766248373 585499338 /nfs/dbraw/zinc/49/93/38/585499338.db2.gz NVWOGMWXYZYTGJ-NSHDSACASA-N 0 3 222.336 0.827 20 0 BCADHN CN(C)CCNC(=S)NCc1cccnn1 ZINC000766508553 585503448 /nfs/dbraw/zinc/50/34/48/585503448.db2.gz FXEYUTGYFADWIN-UHFFFAOYSA-N 0 3 239.348 0.002 20 0 BCADHN C[C@@H]1[C@H](C)N(CCC2OCCO2)CCN1C ZINC000767823640 585526739 /nfs/dbraw/zinc/52/67/39/585526739.db2.gz UJJNGFKQXLJKSA-MNOVXSKESA-N 0 3 228.336 0.774 20 0 BCADHN CN(CCc1cnccn1)CCC1OCCO1 ZINC000767821140 585526767 /nfs/dbraw/zinc/52/67/67/585526767.db2.gz GTTHKXYEPZBNMC-UHFFFAOYSA-N 0 3 237.303 0.714 20 0 BCADHN CCC[C@@](C)(CO)NC(=O)C1CCN(C)CC1 ZINC000768393708 585537811 /nfs/dbraw/zinc/53/78/11/585537811.db2.gz TYFDCXZFXVKUAC-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)CN(CC(N)=O)C1CCOCC1 ZINC000768533958 585539817 /nfs/dbraw/zinc/53/98/17/585539817.db2.gz WVVRFWVKMKJGKO-UHFFFAOYSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@@H]1CN(CC[C@H]2CCOC2=O)[C@@H](C)CN1C ZINC000768766598 585542803 /nfs/dbraw/zinc/54/28/03/585542803.db2.gz YYIQBRBTTWLLFZ-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN CCCNC(=S)NCCN(CC)CCO ZINC000768787701 585543664 /nfs/dbraw/zinc/54/36/64/585543664.db2.gz FJXGAAMIYPQSPB-UHFFFAOYSA-N 0 3 233.381 0.175 20 0 BCADHN C(CN1CCO[C@@]2(CCOC2)C1)N1CCCC1 ZINC000769220532 585551254 /nfs/dbraw/zinc/55/12/54/585551254.db2.gz LQUGQRKWIVYPNO-ZDUSSCGKSA-N 0 3 240.347 0.574 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000769371241 585554440 /nfs/dbraw/zinc/55/44/40/585554440.db2.gz QTXUIHMXPKLEBD-YFKTTZPYSA-N 0 3 238.331 0.622 20 0 BCADHN COC[C@@H](C)NC(=O)NCCN1CCC[C@H]1C ZINC000769463755 585557547 /nfs/dbraw/zinc/55/75/47/585557547.db2.gz CJSOXTSTHXTCGY-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN CCN(CCO)CCNC(=O)C=C1CCCC1 ZINC000769635635 585560899 /nfs/dbraw/zinc/56/08/99/585560899.db2.gz NGAGHWUQISHNLF-UHFFFAOYSA-N 0 3 240.347 0.917 20 0 BCADHN CCN(CCNC(=O)CC1COC1)C1CC1 ZINC000769704451 585562228 /nfs/dbraw/zinc/56/22/28/585562228.db2.gz WLCZBBJFXQKKOR-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CN(C(=O)CC1COC1)[C@@H]1CCCN(C)C1 ZINC000769713735 585562402 /nfs/dbraw/zinc/56/24/02/585562402.db2.gz BXBFZYONWVHYGU-LLVKDONJSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)CC2COC2)CN1C1CC1 ZINC000769712583 585562474 /nfs/dbraw/zinc/56/24/74/585562474.db2.gz NSCFMSYJTOQVAA-GXSJLCMTSA-N 0 3 238.331 0.764 20 0 BCADHN CCOCC[C@H](O)CN1C[C@@H]2C[C@]2(CO)C1 ZINC000769802144 585563840 /nfs/dbraw/zinc/56/38/40/585563840.db2.gz RSJUFABATRUYHX-SDDRHHMPSA-N 0 3 229.320 0.088 20 0 BCADHN CC(C)[C@H](C(=O)NCc1ncccn1)N(C)C ZINC000770056491 585570401 /nfs/dbraw/zinc/57/04/01/585570401.db2.gz PEFPPASCGSKTOU-LLVKDONJSA-N 0 3 236.319 0.679 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](CO)C1CC1 ZINC000771023690 585587509 /nfs/dbraw/zinc/58/75/09/585587509.db2.gz BREQEUGWCNSXCA-FOGDFJRCSA-N 0 3 240.347 0.746 20 0 BCADHN COC/C=C/C(=O)N[C@@H](C)CN(C)C ZINC000805425950 585592063 /nfs/dbraw/zinc/59/20/63/585592063.db2.gz GAKOHNCFMREVMC-CYNONHLPSA-N 0 3 200.282 0.255 20 0 BCADHN CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000805427258 585592223 /nfs/dbraw/zinc/59/22/23/585592223.db2.gz SYUIKYGEQBRDCW-AXFHLTTASA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CSCCS1 ZINC000805426411 585592286 /nfs/dbraw/zinc/59/22/86/585592286.db2.gz OMUPDJXDYOLKNX-IUCAKERBSA-N 0 3 248.417 0.901 20 0 BCADHN COC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000771577684 585597167 /nfs/dbraw/zinc/59/71/67/585597167.db2.gz DVYJUCBCLLDYFK-SNVBAGLBSA-N 0 3 228.292 0.596 20 0 BCADHN C/C=C/C[C@@H](CO)NC(=O)C1(N(C)C)CCC1 ZINC000771614626 585597755 /nfs/dbraw/zinc/59/77/55/585597755.db2.gz YQNCZDMJHRLMHM-ZWNMCFTASA-N 0 3 240.347 0.914 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@@H](CCO)C1CC1 ZINC000771793312 585600288 /nfs/dbraw/zinc/60/02/88/585600288.db2.gz AGNFDMCEQHSJLU-JQWIXIFHSA-N 0 3 242.363 0.898 20 0 BCADHN O=c1cc(CN[C@H](CCO)C2CC2)occ1O ZINC000771800635 585600398 /nfs/dbraw/zinc/60/03/98/585600398.db2.gz OPZYDGPVLWFQJO-SNVBAGLBSA-N 0 3 239.271 0.596 20 0 BCADHN CNC(=O)c1cccc(CN[C@@H](CO)C2CC2)c1 ZINC000771812523 585600920 /nfs/dbraw/zinc/60/09/20/585600920.db2.gz IYKSQTIYQSHYDD-ZDUSSCGKSA-N 0 3 248.326 0.907 20 0 BCADHN O=C(CN[C@H](CO)C1CC1)NC1CCCCC1 ZINC000771819370 585601293 /nfs/dbraw/zinc/60/12/93/585601293.db2.gz MPLJMXDQMXSGEV-GFCCVEGCSA-N 0 3 240.347 0.796 20 0 BCADHN NC(=O)[C@H]1CCCN(Cc2ccoc2)C1 ZINC000771934115 585605010 /nfs/dbraw/zinc/60/50/10/585605010.db2.gz WKRHMAZWGNYJRO-JTQLQIEISA-N 0 3 208.261 0.977 20 0 BCADHN Cc1cc(CNC[C@H](O)c2cccnc2)n[nH]1 ZINC000771980460 585605983 /nfs/dbraw/zinc/60/59/83/585605983.db2.gz QPJQNQCATPFHNY-LBPRGKRZSA-N 0 3 232.287 0.936 20 0 BCADHN Cc1cc(CNC[C@H](O)c2cccnc2)[nH]n1 ZINC000771980460 585605984 /nfs/dbraw/zinc/60/59/84/585605984.db2.gz QPJQNQCATPFHNY-LBPRGKRZSA-N 0 3 232.287 0.936 20 0 BCADHN Cc1cc(CNC[C@@H](O)c2cccnc2)n[nH]1 ZINC000771980459 585606085 /nfs/dbraw/zinc/60/60/85/585606085.db2.gz QPJQNQCATPFHNY-GFCCVEGCSA-N 0 3 232.287 0.936 20 0 BCADHN Cc1cc(CNC[C@@H](O)c2cccnc2)[nH]n1 ZINC000771980459 585606086 /nfs/dbraw/zinc/60/60/86/585606086.db2.gz QPJQNQCATPFHNY-GFCCVEGCSA-N 0 3 232.287 0.936 20 0 BCADHN CCN(CC)CCOC(=O)c1ccnn1C ZINC000772053400 585607689 /nfs/dbraw/zinc/60/76/89/585607689.db2.gz FKTMSACIRXMBKT-UHFFFAOYSA-N 0 3 225.292 0.919 20 0 BCADHN CCN(CC)CCOC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC000772080726 585608193 /nfs/dbraw/zinc/60/81/93/585608193.db2.gz HQWUZYXTTONMEM-VHSXEESVSA-N 0 3 243.303 0.681 20 0 BCADHN CCN(CC)CCOC(=O)C1(C(N)=O)CC1 ZINC000772109655 585608679 /nfs/dbraw/zinc/60/86/79/585608679.db2.gz MLCCRYNUYVAEIJ-UHFFFAOYSA-N 0 3 228.292 0.137 20 0 BCADHN CCN(CC)CCOC(=O)[C@@H]1CCC(=O)N1C ZINC000772295282 585612075 /nfs/dbraw/zinc/61/20/75/585612075.db2.gz KLECEWLPEBUNNT-JTQLQIEISA-N 0 3 242.319 0.492 20 0 BCADHN CNC(=O)CC(=O)NC[C@H](C)N1CCCCC1 ZINC000772321095 585612645 /nfs/dbraw/zinc/61/26/45/585612645.db2.gz XQWSBKAAMDVZSX-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CCOCCOC(=O)C1CCN(C)C1=O ZINC000772518631 585617346 /nfs/dbraw/zinc/61/73/46/585617346.db2.gz HQLJCCMMSCFWKY-MRVPVSSYSA-N 0 3 215.249 0.044 20 0 BCADHN Cc1cc(COC(=O)C2CCN(C)C2=O)no1 ZINC000772530084 585617739 /nfs/dbraw/zinc/61/77/39/585617739.db2.gz HYNCVSUSRZMHIR-SECBINFHSA-N 0 3 238.243 0.505 20 0 BCADHN C[C@H]1COCCCN1C(=S)NCCN(C)C ZINC000772800038 585624299 /nfs/dbraw/zinc/62/42/99/585624299.db2.gz GVZXVCDZXNCRPY-JTQLQIEISA-N 0 3 245.392 0.533 20 0 BCADHN COC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000772844418 585625158 /nfs/dbraw/zinc/62/51/58/585625158.db2.gz HAXJRFABORVSRY-HTQZYQBOSA-N 0 3 218.322 0.730 20 0 BCADHN CN(C)CCN(C(=O)C1=COCCO1)C1CC1 ZINC000773111241 585631322 /nfs/dbraw/zinc/63/13/22/585631322.db2.gz MEIIWDSBMFPOEV-UHFFFAOYSA-N 0 3 240.303 0.427 20 0 BCADHN Cc1cc(C(=O)NOC2CCN(C)CC2)no1 ZINC000773534693 585639778 /nfs/dbraw/zinc/63/97/78/585639778.db2.gz SEVNKHLZFRJVKH-UHFFFAOYSA-N 0 3 239.275 0.739 20 0 BCADHN Cn1nccc1C(=O)NOC1CCN(C)CC1 ZINC000773546554 585640127 /nfs/dbraw/zinc/64/01/27/585640127.db2.gz NHNASQWXTQCOEX-UHFFFAOYSA-N 0 3 238.291 0.176 20 0 BCADHN CO[C@H](C)CCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000773542066 585640132 /nfs/dbraw/zinc/64/01/32/585640132.db2.gz PDRJENOOPPLULC-SNVBAGLBSA-N 0 3 244.335 0.944 20 0 BCADHN CC(C)OCCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000773549763 585640279 /nfs/dbraw/zinc/64/02/79/585640279.db2.gz NAEVRHYPXXSGFQ-UHFFFAOYSA-N 0 3 244.335 0.944 20 0 BCADHN COC1(CO)CCN(CCC(=O)C2CC2)CC1 ZINC000773943681 585646853 /nfs/dbraw/zinc/64/68/53/585646853.db2.gz FAACYXLVQQDNMA-UHFFFAOYSA-N 0 3 241.331 0.829 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)C2(F)CCCC2)C1 ZINC000774032759 585648719 /nfs/dbraw/zinc/64/87/19/585648719.db2.gz MSVOJHSXDHDOKD-LLVKDONJSA-N 0 3 244.310 0.452 20 0 BCADHN CN1CCC(C(=O)OC2(C3CC3)CC2)C1=O ZINC000774127448 585650993 /nfs/dbraw/zinc/65/09/93/585650993.db2.gz VLTNBBIMURXLLU-VIFPVBQESA-N 0 3 223.272 0.951 20 0 BCADHN COC[C@@H](OC(=O)C1CCN(C)C1=O)C(C)C ZINC000774134753 585651280 /nfs/dbraw/zinc/65/12/80/585651280.db2.gz NFABKSATKHGKOE-VHSXEESVSA-N 0 3 243.303 0.679 20 0 BCADHN CC[C@H](CCOC)OC(=O)C1CCN(C)C1=O ZINC000774237491 585654802 /nfs/dbraw/zinc/65/48/02/585654802.db2.gz NSHAWGMZWZYBCV-ZJUUUORDSA-N 0 3 243.303 0.823 20 0 BCADHN C[C@@H]1CC[C@@H](COC(=O)C2CCN(C)C2=O)O1 ZINC000774257985 585655202 /nfs/dbraw/zinc/65/52/02/585655202.db2.gz RFOWGWWALAOWQH-KXUCPTDWSA-N 0 3 241.287 0.575 20 0 BCADHN C[C@@H]1OCC[C@@H]1OC(=O)C1CCN(C)C1=O ZINC000774504441 585659903 /nfs/dbraw/zinc/65/99/03/585659903.db2.gz YRZKNBFMSQYFBM-YIZRAAEISA-N 0 3 227.260 0.185 20 0 BCADHN C[C@@H]1CCOCCN1C(=S)NCCN(C)C ZINC000774575284 585661296 /nfs/dbraw/zinc/66/12/96/585661296.db2.gz GZBYSDXVLKQDGY-SNVBAGLBSA-N 0 3 245.392 0.533 20 0 BCADHN CON(C)C(=O)CN1CCCC1(C)C ZINC000774609602 585662103 /nfs/dbraw/zinc/66/21/03/585662103.db2.gz XYORYMPCFPEPGZ-UHFFFAOYSA-N 0 3 200.282 0.881 20 0 BCADHN CCN1C[C@H](C)N(CC(=O)N(C)OC)C[C@H]1C ZINC000774762315 585665405 /nfs/dbraw/zinc/66/54/05/585665405.db2.gz DQBTXAFVEHEKQC-MNOVXSKESA-N 0 3 243.351 0.421 20 0 BCADHN Cc1nn[n-]c1C(=O)OCCC[NH+]1CCCC1 ZINC000805546849 585679393 /nfs/dbraw/zinc/67/93/93/585679393.db2.gz OHIRUCUTXNKFBM-UHFFFAOYSA-N 0 3 238.291 0.756 20 0 BCADHN CON(C)C(=O)CN1CCC[C@@]1(C)CCCO ZINC000776598535 585702278 /nfs/dbraw/zinc/70/22/78/585702278.db2.gz PVFUYGLHKDJYQV-LBPRGKRZSA-N 0 3 244.335 0.633 20 0 BCADHN c1nncn1CN1CCC[C@@H](C2OCCO2)C1 ZINC000776759379 585704452 /nfs/dbraw/zinc/70/44/52/585704452.db2.gz MSEMOHGGBWRZQA-SNVBAGLBSA-N 0 3 238.291 0.321 20 0 BCADHN CN(CCC1CCOCC1)Cn1cnnc1 ZINC000776763850 585705114 /nfs/dbraw/zinc/70/51/14/585705114.db2.gz KXJKQBLUOSUIDJ-UHFFFAOYSA-N 0 3 224.308 0.984 20 0 BCADHN Cn1cc(C[C@@H]2CCN(Cn3cnnc3)C2)cn1 ZINC000776763644 585705137 /nfs/dbraw/zinc/70/51/37/585705137.db2.gz JEHPNMJYVKZBMB-NSHDSACASA-N 0 3 246.318 0.534 20 0 BCADHN c1nncn1CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000776764051 585705181 /nfs/dbraw/zinc/70/51/81/585705181.db2.gz WOUHVKLGMFYTHI-NWDGAFQWSA-N 0 3 236.319 0.984 20 0 BCADHN c1nncn1CN1CCC[C@@H]2COCC[C@H]21 ZINC000776764888 585705321 /nfs/dbraw/zinc/70/53/21/585705321.db2.gz SEVQMTGGIRLCHN-GHMZBOCLSA-N 0 3 222.292 0.737 20 0 BCADHN COC(C)(C)[C@H](C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000300992996 585705987 /nfs/dbraw/zinc/70/59/87/585705987.db2.gz LXBORKSIHZYQKG-VHSXEESVSA-N 0 3 249.376 0.967 20 0 BCADHN COCc1noc(CONC(=N)[C@H](C)OC)n1 ZINC000776836944 585706045 /nfs/dbraw/zinc/70/60/45/585706045.db2.gz KUGRERIPSVGDEE-LURJTMIESA-N 0 3 244.251 0.249 20 0 BCADHN CC[C@](C)(CO)N[C@H]1CCCS(=O)(=O)C1 ZINC000777569324 585715669 /nfs/dbraw/zinc/71/56/69/585715669.db2.gz HTMRJVDFOQGCDS-VHSXEESVSA-N 0 3 235.349 0.314 20 0 BCADHN OCC1(NCC2OCCO2)Cc2ccccc2C1 ZINC000777584121 585715677 /nfs/dbraw/zinc/71/56/77/585715677.db2.gz KFRYCBNAUJKXRY-UHFFFAOYSA-N 0 3 249.310 0.479 20 0 BCADHN C(C1OCCO1)N1CC[C@@]2(CCOC2)C1 ZINC000777600794 585716844 /nfs/dbraw/zinc/71/68/44/585716844.db2.gz RAEJZEJIYUCISF-LLVKDONJSA-N 0 3 213.277 0.472 20 0 BCADHN C[C@@H]1NC(=O)N([C@@H]2CCCN(C)C2)C1=O ZINC000777619505 585717081 /nfs/dbraw/zinc/71/70/81/585717081.db2.gz MEAJUIWWVIWPHN-JGVFFNPUSA-N 0 3 211.265 0.021 20 0 BCADHN CCC[C@@H]1NC(=O)N([C@H]2CCCN(C)C2)C1=O ZINC000777621135 585717139 /nfs/dbraw/zinc/71/71/39/585717139.db2.gz VTQSSJLAOGDOBY-UWVGGRQHSA-N 0 3 239.319 0.801 20 0 BCADHN CCC[C@H]1NC(=O)N([C@@H]2CCCN(C)C2)C1=O ZINC000777621134 585717157 /nfs/dbraw/zinc/71/71/57/585717157.db2.gz VTQSSJLAOGDOBY-NXEZZACHSA-N 0 3 239.319 0.801 20 0 BCADHN CC[C@H]1NC(=O)N([C@@H]2CCCN(C)C2)C1=O ZINC000777620744 585717192 /nfs/dbraw/zinc/71/71/92/585717192.db2.gz SGIPQOLAJRSWOY-RKDXNWHRSA-N 0 3 225.292 0.411 20 0 BCADHN CC1(C)NC(=O)N([C@H]2CCN(C3CC3)C2)C1=O ZINC000777626123 585717618 /nfs/dbraw/zinc/71/76/18/585717618.db2.gz OKAFDQQPHMVJJL-VIFPVBQESA-N 0 3 237.303 0.554 20 0 BCADHN CSC[C@@H](O)CN1CCN(C)[C@H](C)C1 ZINC000777661743 585718155 /nfs/dbraw/zinc/71/81/55/585718155.db2.gz WRBFOGVDVCWRNF-ZJUUUORDSA-N 0 3 218.366 0.346 20 0 BCADHN CSC[C@H](O)CN1CCN(C)[C@@H](C)C1 ZINC000777661742 585718371 /nfs/dbraw/zinc/71/83/71/585718371.db2.gz WRBFOGVDVCWRNF-VHSXEESVSA-N 0 3 218.366 0.346 20 0 BCADHN CN(CC1OCCO1)C[C@@H]1CCC[C@@H]1O ZINC000777711630 585718559 /nfs/dbraw/zinc/71/85/59/585718559.db2.gz FYGWXGUQGZMVAQ-UWVGGRQHSA-N 0 3 215.293 0.452 20 0 BCADHN C(C1OCCO1)N1CCC2(CCOC2)CC1 ZINC000777712329 585718933 /nfs/dbraw/zinc/71/89/33/585718933.db2.gz GGERKXLLNZKBKI-UHFFFAOYSA-N 0 3 227.304 0.862 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1CC1OCCO1 ZINC000777719459 585719290 /nfs/dbraw/zinc/71/92/90/585719290.db2.gz CMWQKDQHRCMYIY-VHSXEESVSA-N 0 3 214.309 0.384 20 0 BCADHN Cn1cc([C@H](CO)NCCN2CCCC2)cn1 ZINC000778138673 585726070 /nfs/dbraw/zinc/72/60/70/585726070.db2.gz SHWMSNLBUMZHKY-LBPRGKRZSA-N 0 3 238.335 0.139 20 0 BCADHN C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1c[n-]nn1 ZINC000805605196 585731688 /nfs/dbraw/zinc/73/16/88/585731688.db2.gz GMWXSXPTAOYTEI-SECBINFHSA-N 0 3 238.291 0.836 20 0 BCADHN C[N@H+]1CCCC[C@@H]1CCOC(=O)c1c[n-]nn1 ZINC000805605196 585731689 /nfs/dbraw/zinc/73/16/89/585731689.db2.gz GMWXSXPTAOYTEI-SECBINFHSA-N 0 3 238.291 0.836 20 0 BCADHN C[N@@H+]1CCCC[C@H]1CCOC(=O)c1c[n-]nn1 ZINC000805605202 585731713 /nfs/dbraw/zinc/73/17/13/585731713.db2.gz GMWXSXPTAOYTEI-VIFPVBQESA-N 0 3 238.291 0.836 20 0 BCADHN C[N@H+]1CCCC[C@H]1CCOC(=O)c1c[n-]nn1 ZINC000805605202 585731714 /nfs/dbraw/zinc/73/17/14/585731714.db2.gz GMWXSXPTAOYTEI-VIFPVBQESA-N 0 3 238.291 0.836 20 0 BCADHN C[C@H]1CC[C@@](CO)(N(C)CC2OCCO2)C1 ZINC000778427874 585734591 /nfs/dbraw/zinc/73/45/91/585734591.db2.gz OYMJUBFIOCPACS-CMPLNLGQSA-N 0 3 229.320 0.842 20 0 BCADHN CCN(CC)CCOC(=O)c1ccncn1 ZINC000778452679 585735083 /nfs/dbraw/zinc/73/50/83/585735083.db2.gz SBKNXJGKVQGNDV-UHFFFAOYSA-N 0 3 223.276 0.975 20 0 BCADHN CN1CCC[C@@H](NC(=O)N[C@H](CO)C2CC2)C1 ZINC000778695472 585739389 /nfs/dbraw/zinc/73/93/89/585739389.db2.gz NNGRWKQEYXDCRW-GHMZBOCLSA-N 0 3 241.335 0.151 20 0 BCADHN C[C@@H]1C[C@H](CN2CCCNC(=O)C2)CCO1 ZINC000779003135 585743759 /nfs/dbraw/zinc/74/37/59/585743759.db2.gz QULYAOLMCZPIES-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@@H](O)c1cnn(C)c1 ZINC000779074212 585744541 /nfs/dbraw/zinc/74/45/41/585744541.db2.gz OIKLKSHZQWGRMU-QPUJVOFHSA-N 0 3 249.318 0.836 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@H](O)c1cnn(C)c1 ZINC000779074213 585744888 /nfs/dbraw/zinc/74/48/88/585744888.db2.gz OIKLKSHZQWGRMU-UFBFGSQYSA-N 0 3 249.318 0.836 20 0 BCADHN C[C@@H](CCO)NCC(=O)NCc1ccco1 ZINC000779383847 585752919 /nfs/dbraw/zinc/75/29/19/585752919.db2.gz PIEWYKZZVLHJIU-VIFPVBQESA-N 0 3 226.276 0.256 20 0 BCADHN C[C@H](CCO)NCc1ccc(-n2cncn2)nc1 ZINC000779386543 585752978 /nfs/dbraw/zinc/75/29/78/585752978.db2.gz BFGIPDOAEPQPKY-SNVBAGLBSA-N 0 3 247.302 0.523 20 0 BCADHN CCC1CCN([C@H]2CCC(=O)NC2=O)CC1 ZINC000779473331 585755864 /nfs/dbraw/zinc/75/58/64/585755864.db2.gz FPECQKUHBBRVAD-JTQLQIEISA-N 0 3 224.304 0.914 20 0 BCADHN CC[C@H](CO)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000779620647 585756800 /nfs/dbraw/zinc/75/68/00/585756800.db2.gz ONLQIXHZGSIDBB-VHSXEESVSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@@H](CO)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000779622807 585757395 /nfs/dbraw/zinc/75/73/95/585757395.db2.gz GXHMHIUJHNVTCX-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@H](CO)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000779637126 585757787 /nfs/dbraw/zinc/75/77/87/585757787.db2.gz GKUFHDMZPWBZTP-TUAOUCFPSA-N 0 3 242.363 0.804 20 0 BCADHN CC[C@@H](CO)C(=O)NC[C@H]1CCCN1CC ZINC000779730327 585760183 /nfs/dbraw/zinc/76/01/83/585760183.db2.gz GFSWZIOHTNMOMZ-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](CO)C(=O)NC[C@H](C)N(C)C ZINC000779738388 585760337 /nfs/dbraw/zinc/76/03/37/585760337.db2.gz NEJJKTOUPDGIIH-DTWKUNHWSA-N 0 3 202.298 0.071 20 0 BCADHN CC[C@@H](CO)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000779738942 585760395 /nfs/dbraw/zinc/76/03/95/585760395.db2.gz GWVDNMUGISPQSL-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](CO)C(=O)NCCN(C)C1CC1 ZINC000779749164 585760805 /nfs/dbraw/zinc/76/08/05/585760805.db2.gz RJWNUENVAQSCOT-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN CC[C@@H](CO)C(=O)N1CCC[C@@H]1CN(C)C ZINC000779765276 585761577 /nfs/dbraw/zinc/76/15/77/585761577.db2.gz RLOIBRSYRCNAEX-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@@H](CO)C(=O)N1CCCN(CC)CC1 ZINC000779766761 585761771 /nfs/dbraw/zinc/76/17/71/585761771.db2.gz AUNHUYSFSDFYAF-NSHDSACASA-N 0 3 228.336 0.559 20 0 BCADHN CN(C)CCNC(=S)NC[C@@H]1CCC=CO1 ZINC000780219364 585773654 /nfs/dbraw/zinc/77/36/54/585773654.db2.gz OFKGWIRJTCAYBU-JTQLQIEISA-N 0 3 243.376 0.705 20 0 BCADHN C[C@H](O)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000781043607 585789144 /nfs/dbraw/zinc/78/91/44/585789144.db2.gz NVEBZMUATBWDOF-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN CN(C)C1(C(=O)N2CC(OC(F)F)C2)CCC1 ZINC000781212197 585793628 /nfs/dbraw/zinc/79/36/28/585793628.db2.gz HXGIQRIHVXFHOY-UHFFFAOYSA-N 0 3 248.273 0.921 20 0 BCADHN COC[C@H](CNC(=O)C1(N(C)C)CCC1)OC ZINC000781386454 585795505 /nfs/dbraw/zinc/79/55/05/585795505.db2.gz XDZZXWUHDWTLPX-JTQLQIEISA-N 0 3 244.335 0.248 20 0 BCADHN C[C@H](C1CC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000782187169 585810991 /nfs/dbraw/zinc/81/09/91/585810991.db2.gz MVLVHZDSQVJMGM-PSASIEDQSA-N 0 3 209.293 0.494 20 0 BCADHN CNS(=O)(=O)[C@H]1CCN([C@H](C)C2CC2)C1 ZINC000782189050 585811131 /nfs/dbraw/zinc/81/11/31/585811131.db2.gz FGAIADUZRVRHAN-SCZZXKLOSA-N 0 3 232.349 0.408 20 0 BCADHN CNC(=O)[C@H]1CN([C@@H](C)C2CC2)CCO1 ZINC000782193985 585812088 /nfs/dbraw/zinc/81/20/88/585812088.db2.gz SLTBKLKTWGAXTA-WCBMZHEXSA-N 0 3 212.293 0.232 20 0 BCADHN C[C@H]1CN(C)C(=O)CN1CCN1CCCC1 ZINC000782595596 585821497 /nfs/dbraw/zinc/82/14/97/585821497.db2.gz LGDNQFBFBKXUQY-NSHDSACASA-N 0 3 225.336 0.245 20 0 BCADHN Cc1noc(CCCN2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782617189 585822457 /nfs/dbraw/zinc/82/24/57/585822457.db2.gz NMVWTXPVVICKMU-PWSUYJOCSA-N 0 3 237.303 0.625 20 0 BCADHN Cc1cc(C)n(CCN2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782622376 585822941 /nfs/dbraw/zinc/82/29/41/585822941.db2.gz XXUOHZGPUMVPIO-QWHCGFSZSA-N 0 3 235.331 0.814 20 0 BCADHN CO[C@H]1CCCN(CC2OCCO2)CC1 ZINC000783018322 585827047 /nfs/dbraw/zinc/82/70/47/585827047.db2.gz KUISLSPNSJZDIH-JTQLQIEISA-N 0 3 215.293 0.860 20 0 BCADHN CCN(CC(=O)NC)C[C@@H](C)COC ZINC000783526979 585836149 /nfs/dbraw/zinc/83/61/49/585836149.db2.gz RNPPKSVZZVJABY-SECBINFHSA-N 0 3 202.298 0.337 20 0 BCADHN CON(C)C(=O)CN([C@H](C)CO)C1CCCC1 ZINC000805750930 585841715 /nfs/dbraw/zinc/84/17/15/585841715.db2.gz AKDKLNWZAPCBNE-SNVBAGLBSA-N 0 3 244.335 0.632 20 0 BCADHN CON(C)C(=O)CN([C@@H](C)CO)C1CCCC1 ZINC000805750928 585841812 /nfs/dbraw/zinc/84/18/12/585841812.db2.gz AKDKLNWZAPCBNE-JTQLQIEISA-N 0 3 244.335 0.632 20 0 BCADHN C[C@H]1OCC[C@]1(C)NC(=S)NCCN(C)C ZINC000783766319 585842510 /nfs/dbraw/zinc/84/25/10/585842510.db2.gz WOOBZMMLVKJMEF-KOLCDFICSA-N 0 3 245.392 0.580 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC000783783277 585843196 /nfs/dbraw/zinc/84/31/96/585843196.db2.gz GPYYVMJWWMYIIQ-CMPLNLGQSA-N 0 3 226.320 0.167 20 0 BCADHN CC(C)[C@H](C(=O)N1C[C@H]2C[C@@]2(CO)C1)N(C)C ZINC000783795583 585843379 /nfs/dbraw/zinc/84/33/79/585843379.db2.gz RIJNRPJGADXLTK-WZRBSPASSA-N 0 3 240.347 0.413 20 0 BCADHN O=C1NC2(CO1)CCN(C[C@@H]1CCCO1)CC2 ZINC000784453183 585860406 /nfs/dbraw/zinc/86/04/06/585860406.db2.gz DUOKVBDXWLCKSX-JTQLQIEISA-N 0 3 240.303 0.740 20 0 BCADHN CC(C)(C)[C@H]1CCN(CCS(N)(=O)=O)C1 ZINC000784509545 585861846 /nfs/dbraw/zinc/86/18/46/585861846.db2.gz GVOGVSYAIXSEKE-VIFPVBQESA-N 0 3 234.365 0.643 20 0 BCADHN Cc1cc(N2C[C@H](C)N(C)C[C@H]2C)nc(N)n1 ZINC000785836790 585881763 /nfs/dbraw/zinc/88/17/63/585881763.db2.gz GFJFGWLPPMNALB-VHSXEESVSA-N 0 3 235.335 0.896 20 0 BCADHN CC[C@@H](C)N(CCO)CC1OCCO1 ZINC000805791396 585884227 /nfs/dbraw/zinc/88/42/27/585884227.db2.gz LUJPIZZGLKIPBZ-SECBINFHSA-N 0 3 203.282 0.452 20 0 BCADHN Cn1ncc(C(=O)N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000786116332 585887687 /nfs/dbraw/zinc/88/76/87/585887687.db2.gz FIOCLECRSZLOMQ-SNVBAGLBSA-N 0 3 249.318 0.029 20 0 BCADHN COCCN(CCC1OCCO1)[C@@H]1CCOC1 ZINC000786193246 585888474 /nfs/dbraw/zinc/88/84/74/585888474.db2.gz YLPQPMTXMGRLPQ-LLVKDONJSA-N 0 3 245.319 0.487 20 0 BCADHN CCN(CC[C@H]1CCCO1)CC(=O)NC ZINC000787182433 585902476 /nfs/dbraw/zinc/90/24/76/585902476.db2.gz HLGZFENYRVTNID-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CO[C@@H]1CC(=O)N(CN2C[C@H](C)[C@@H](C)C2)C1 ZINC000787225575 585903404 /nfs/dbraw/zinc/90/34/04/585903404.db2.gz BOMYDTCWYPUSMS-GARJFASQSA-N 0 3 226.320 0.779 20 0 BCADHN O=C(NC[C@@H](O)CN1CCCCC1)C(F)F ZINC000787453169 585909493 /nfs/dbraw/zinc/90/94/93/585909493.db2.gz JUHNMASRPODTFB-MRVPVSSYSA-N 0 3 236.262 0.215 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN2CCC[C@H]2CO)C1(F)F ZINC000787772694 585915738 /nfs/dbraw/zinc/91/57/38/585915738.db2.gz KGZVYZGWVSZAJC-CIUDSAMLSA-N 0 3 249.257 0.497 20 0 BCADHN CCOC(CN1CC[C@@H](CO)[C@@H](O)C1)OCC ZINC000787996744 585918804 /nfs/dbraw/zinc/91/88/04/585918804.db2.gz OGZDBSGWQBQMMX-QWRGUYRKSA-N 0 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/nfs/dbraw/zinc/02/93/01/589029301.db2.gz KQSFHYGTGURIPX-SECBINFHSA-N 0 3 212.297 0.324 20 0 BCADHN COC(CCN1CCc2nc[nH]c2C1)OC ZINC000859305718 589029426 /nfs/dbraw/zinc/02/94/26/589029426.db2.gz MIPZVJHPYWHUJG-UHFFFAOYSA-N 0 3 225.292 0.777 20 0 BCADHN Cn1cc(CCN2CC[C@H](O)C2(C)C)nn1 ZINC000859311219 589029832 /nfs/dbraw/zinc/02/98/32/589029832.db2.gz ULNUJBBATORYTJ-JTQLQIEISA-N 0 3 224.308 0.203 20 0 BCADHN CCN1CCN(CC(OC)OC)[C@@H](C)C1 ZINC000796318728 586100229 /nfs/dbraw/zinc/10/02/29/586100229.db2.gz XGKPUYXKFWTWEJ-JTQLQIEISA-N 0 3 216.325 0.631 20 0 BCADHN CN(CC[C@H]1CCOC1=O)C1(CO)CC1 ZINC000796502007 586105432 /nfs/dbraw/zinc/10/54/32/586105432.db2.gz HKAANFJVVBFBGH-VIFPVBQESA-N 0 3 213.277 0.396 20 0 BCADHN CN(C[C@@H]1CC2(CCC2)C(=O)O1)C1(CO)CC1 ZINC000796501976 586105527 /nfs/dbraw/zinc/10/55/27/586105527.db2.gz HDCCFZHSUXKFCA-JTQLQIEISA-N 0 3 239.315 0.929 20 0 BCADHN CCN(CCS(N)(=O)=O)CC1CCC1 ZINC000796539855 586106289 /nfs/dbraw/zinc/10/62/89/586106289.db2.gz MNMXWJBSUHJFKZ-UHFFFAOYSA-N 0 3 220.338 0.397 20 0 BCADHN NC(=O)NC(=O)CCCN1CCC(F)(F)CC1 ZINC000796541630 586106312 /nfs/dbraw/zinc/10/63/12/586106312.db2.gz VTUHPTCRLWNKOY-UHFFFAOYSA-N 0 3 249.261 0.693 20 0 BCADHN CON(C)C(=O)CN(CC1CCC1)[C@H](C)CO ZINC000796547343 586106842 /nfs/dbraw/zinc/10/68/42/586106842.db2.gz OZAMWGKNYOEOQJ-SNVBAGLBSA-N 0 3 244.335 0.489 20 0 BCADHN CCN(CCc1cn(C)nn1)C[C@@H](C)OC ZINC000859311922 589030474 /nfs/dbraw/zinc/03/04/74/589030474.db2.gz LNZXRZFGUAIZEM-SNVBAGLBSA-N 0 3 226.324 0.714 20 0 BCADHN CCC[C@H](O)CNC[C@@H](O)c1cccnc1 ZINC000843075718 586136035 /nfs/dbraw/zinc/13/60/35/586136035.db2.gz NIHWGMVPGHUOCG-NWDGAFQWSA-N 0 3 224.304 0.866 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000798181417 586138805 /nfs/dbraw/zinc/13/88/05/586138805.db2.gz JSZUGDVSQLBUBK-HOSYDEDBSA-N 0 3 244.335 0.247 20 0 BCADHN C[S@](=O)CCN1CC[C@]2(CCOC2)C1 ZINC000798195543 586139425 /nfs/dbraw/zinc/13/94/25/586139425.db2.gz FYQWUSZKFWVPIH-HZMBPMFUSA-N 0 3 217.334 0.477 20 0 BCADHN COC[C@H](CO)NC[C@@H](O)c1ccccc1C ZINC000843077114 586149049 /nfs/dbraw/zinc/14/90/49/586149049.db2.gz ACPKEZKPASBHAY-WCQYABFASA-N 0 3 239.315 0.625 20 0 BCADHN COC(=O)CCCCN1CCCN(C=O)CC1 ZINC000859311409 589030828 /nfs/dbraw/zinc/03/08/28/589030828.db2.gz ACGTUVCUBKTQNR-UHFFFAOYSA-N 0 3 242.319 0.494 20 0 BCADHN CC[C@@H](CO)C(=O)NC1(CN(C)C)CCC1 ZINC000799038407 586154892 /nfs/dbraw/zinc/15/48/92/586154892.db2.gz OHLNKWGYEKEZNT-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H](O)CN1CCCC[C@H]1CN1CCCC1=O ZINC000799121875 586159169 /nfs/dbraw/zinc/15/91/69/586159169.db2.gz JHCXQPBMJLQIGC-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN CO[C@H]1CCN(CCC(=O)N(C)OC)C1 ZINC000799125450 586159553 /nfs/dbraw/zinc/15/95/53/586159553.db2.gz DUYHFEXRDURSLW-VIFPVBQESA-N 0 3 216.281 0.117 20 0 BCADHN CCO[C@H]1CCCN(CCC(=O)N(C)OC)C1 ZINC000799123267 586159997 /nfs/dbraw/zinc/15/99/97/586159997.db2.gz RCOXHDGTUGNLMD-NSHDSACASA-N 0 3 244.335 0.897 20 0 BCADHN C[C@H]1CCN([C@H]2CCC(=O)NC2=O)CCS1 ZINC000799168283 586160530 /nfs/dbraw/zinc/16/05/30/586160530.db2.gz IVEICKOKONHHMU-IUCAKERBSA-N 0 3 242.344 0.619 20 0 BCADHN CN(CCC1CC1)[C@H]1CCC(=O)NC1=O ZINC000799142984 586162029 /nfs/dbraw/zinc/16/20/29/586162029.db2.gz FXAGKSGUZHLZAI-VIFPVBQESA-N 0 3 210.277 0.524 20 0 BCADHN CON(C)C(=O)CCN1C[C@H](C)N(C)C[C@@H]1C ZINC000799146997 586162352 /nfs/dbraw/zinc/16/23/52/586162352.db2.gz DELZJUNKTWVPCF-QWRGUYRKSA-N 0 3 243.351 0.421 20 0 BCADHN CO[C@@H]1CCCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799163940 586162551 /nfs/dbraw/zinc/16/25/51/586162551.db2.gz XHPPRNSWGKJACE-NXEZZACHSA-N 0 3 240.303 0.293 20 0 BCADHN COC1(C)CCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799158752 586162880 /nfs/dbraw/zinc/16/28/80/586162880.db2.gz RQLICRCLSDLVQC-SECBINFHSA-N 0 3 240.303 0.293 20 0 BCADHN CON(C)C(=O)CCN1CC[C@H](O)C(C)(C)C1 ZINC000799167511 586163706 /nfs/dbraw/zinc/16/37/06/586163706.db2.gz WOVSNKKSJRYTSJ-JTQLQIEISA-N 0 3 244.335 0.489 20 0 BCADHN COc1ncc(CN[C@H](CO)C2CC2)c(C)n1 ZINC000799165736 586163712 /nfs/dbraw/zinc/16/37/12/586163712.db2.gz LVNFNURZXQSDPL-LLVKDONJSA-N 0 3 237.303 0.654 20 0 BCADHN COC[C@H](O)CN1CC[C@@H](c2ccccn2)C1 ZINC000799196189 586167284 /nfs/dbraw/zinc/16/72/84/586167284.db2.gz PLJVMSKBKPOFTH-VXGBXAGGSA-N 0 3 236.315 0.878 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C[C@@H](O)c1ccc(F)cn1 ZINC000799310992 586171144 /nfs/dbraw/zinc/17/11/44/586171144.db2.gz PCRGOZJCNIJJHG-HLUHBDAQSA-N 0 3 240.278 0.709 20 0 BCADHN C[C@@H]1CN(C[C@H](O)c2ccc(F)cn2)C[C@H]1O ZINC000799310943 586171351 /nfs/dbraw/zinc/17/13/51/586171351.db2.gz KPQVNIUNHGECCA-FXAINCCUSA-N 0 3 240.278 0.567 20 0 BCADHN CO[C@@H]1CCN(CC2OCCO2)[C@H](C)C1 ZINC000799343255 586172421 /nfs/dbraw/zinc/17/24/21/586172421.db2.gz CVSKUFBURTVHHS-NXEZZACHSA-N 0 3 215.293 0.859 20 0 BCADHN Cc1ccccc1[C@H](O)CN1C[C@H](O)[C@@H](O)C1 ZINC000859452394 589038668 /nfs/dbraw/zinc/03/86/68/589038668.db2.gz AUINZJGJEQKDSY-AGIUHOORSA-N 0 3 237.299 0.066 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)N(C)OC ZINC000801540549 586260768 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C[C@@H](CNC(=S)NC1CCC1)N(C)C ZINC000814192836 586616632 /nfs/dbraw/zinc/61/66/32/586616632.db2.gz FRTBGUGMZKAXMP-QMMMGPOBSA-N 0 3 215.366 0.953 20 0 BCADHN O[C@H]1CCN(CC2OCCO2)C12CCCC2 ZINC000814667945 586627397 /nfs/dbraw/zinc/62/73/97/586627397.db2.gz UXLURTAHDGZTDW-JTQLQIEISA-N 0 3 227.304 0.739 20 0 BCADHN Cn1ncc(CN[C@H]2CCN(CC3CC3)C2)n1 ZINC000815124349 586668129 /nfs/dbraw/zinc/66/81/29/586668129.db2.gz UGAFEZBVINHLFI-NSHDSACASA-N 0 3 235.335 0.389 20 0 BCADHN CCN(CC)CC(=O)N1CCCN(C=O)CC1 ZINC000816270476 586716509 /nfs/dbraw/zinc/71/65/09/586716509.db2.gz IICFKHITPNFVNM-UHFFFAOYSA-N 0 3 241.335 0.019 20 0 BCADHN CN(C)C[C@@]1(O)CCCN(C(=O)C(F)F)C1 ZINC000816360714 586720629 /nfs/dbraw/zinc/72/06/29/586720629.db2.gz BDQOGNKQSJYJSQ-JTQLQIEISA-N 0 3 236.262 0.167 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)C2(C)CC2)CC1 ZINC000816532964 586739325 /nfs/dbraw/zinc/73/93/25/586739325.db2.gz DGTBPWROJDBFPA-UHFFFAOYSA-N 0 3 212.293 0.929 20 0 BCADHN O=C(O[C@H]1CNOC1)C1CCN(C2CC2)CC1 ZINC000816573861 586741459 /nfs/dbraw/zinc/74/14/59/586741459.db2.gz NYGWZGQSEZEUQA-NSHDSACASA-N 0 3 240.303 0.307 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N[C@H]1CCC(=O)NC1=O ZINC000859829965 589064464 /nfs/dbraw/zinc/06/44/64/589064464.db2.gz WZDBFLHDCRNRQW-RKYHVTRTSA-N 0 3 240.303 0.193 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cccc(F)n3)[C@@H]2C1 ZINC000816948621 586772668 /nfs/dbraw/zinc/77/26/68/586772668.db2.gz BDQFPOIKXKDXRD-MWLCHTKSSA-N 0 3 249.289 0.997 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cccnc3F)[C@@H]2C1 ZINC000816950576 586773235 /nfs/dbraw/zinc/77/32/35/586773235.db2.gz VNNAKEMTSXELHX-MWLCHTKSSA-N 0 3 249.289 0.997 20 0 BCADHN COC/C=C\C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000816950264 586773526 /nfs/dbraw/zinc/77/35/26/586773526.db2.gz OUELKEMEYITLNS-CJOPTALJSA-N 0 3 224.304 0.352 20 0 BCADHN COC/C=C/C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000816950266 586773602 /nfs/dbraw/zinc/77/36/02/586773602.db2.gz OUELKEMEYITLNS-YIZUVKHSSA-N 0 3 224.304 0.352 20 0 BCADHN CC[C@H](CO)C(=O)N1CC[C@]2(CCN(C)C2)C1 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/nfs/dbraw/zinc/86/37/75/586863775.db2.gz OBZUAJDRZDYUQZ-VIFPVBQESA-N 0 3 226.320 0.797 20 0 BCADHN CCC/C(C)=C/C(=O)NC[C@H]1CNCCO1 ZINC000818011578 586864427 /nfs/dbraw/zinc/86/44/27/586864427.db2.gz IXZHOYSSWPPDBS-PFEDMVJOSA-N 0 3 226.320 0.837 20 0 BCADHN C[C@@H](CC(=O)NC[C@H]1CNCCO1)C1CC1 ZINC000818012741 586864550 /nfs/dbraw/zinc/86/45/50/586864550.db2.gz XGHZZSCKKFNYIV-GXSJLCMTSA-N 0 3 226.320 0.527 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCSC(F)(F)F ZINC000818073156 586869876 /nfs/dbraw/zinc/86/98/76/586869876.db2.gz XSZTUOKLUDVEJY-CRCLSJGQSA-N 0 3 228.239 0.703 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000818077366 586870220 /nfs/dbraw/zinc/87/02/20/586870220.db2.gz QABZGSBZARKNLI-WDEREUQCSA-N 0 3 243.270 0.553 20 0 BCADHN CCNCC(=O)NC[C@@H]1COc2ccccc2C1 ZINC000818471119 586893553 /nfs/dbraw/zinc/89/35/53/586893553.db2.gz KXTXUPUIYVVVQN-LLVKDONJSA-N 0 3 248.326 0.963 20 0 BCADHN O=C(CCOC1CNC1)Nc1ccc(F)nc1 ZINC000818482815 586894051 /nfs/dbraw/zinc/89/40/51/586894051.db2.gz POTPQMKVDMFNGP-UHFFFAOYSA-N 0 3 239.250 0.538 20 0 BCADHN CCNCC(=O)Nc1ccn(CCOC)n1 ZINC000818515327 586896769 /nfs/dbraw/zinc/89/67/69/586896769.db2.gz AIYQYKGBISTEKU-UHFFFAOYSA-N 0 3 226.280 0.078 20 0 BCADHN CCC1(C(=O)N2CCNCC2(C)C)COC1 ZINC000818524462 586897366 /nfs/dbraw/zinc/89/73/66/586897366.db2.gz LGYKGPWLMPISKH-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CCNCC(=O)Nc1cc(OC)ccc1N ZINC000818558640 586900881 /nfs/dbraw/zinc/90/08/81/586900881.db2.gz RFAUXKLLTQIDNZ-UHFFFAOYSA-N 0 3 223.276 0.825 20 0 BCADHN CN(C[C@H](O)c1ccccn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859962103 589073922 /nfs/dbraw/zinc/07/39/22/589073922.db2.gz GSQVJBRSLFNFOY-UMNHJUIQSA-N 0 3 249.314 0.311 20 0 BCADHN Cc1ccc(N)cc1NC(=O)[C@@H]1C[C@@H]1N ZINC000818583931 586903100 /nfs/dbraw/zinc/90/31/00/586903100.db2.gz JRQNASILQFHYJS-BDAKNGLRSA-N 0 3 205.261 0.863 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cccc(F)n1 ZINC000818603664 586905146 /nfs/dbraw/zinc/90/51/46/586905146.db2.gz 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ZZQJWERKAHTSJA-CHWSQXEVSA-N 0 3 248.326 0.849 20 0 BCADHN Cc1ccc([C@H](O)CNCC[S@](C)=O)cc1 ZINC000819035255 586926280 /nfs/dbraw/zinc/92/62/80/586926280.db2.gz WMTKQLLYQVGNSG-WBMJQRKESA-N 0 3 241.356 0.997 20 0 BCADHN C[S@@](=O)CCNC[C@H](O)Cc1ccccc1 ZINC000819035250 586926344 /nfs/dbraw/zinc/92/63/44/586926344.db2.gz WKWYDFLEXZZCHE-MLGOLLRUSA-N 0 3 241.356 0.558 20 0 BCADHN O=C(/C=C\[C@H]1CCCO1)NCCN1CCCC1 ZINC000819033721 586926577 /nfs/dbraw/zinc/92/65/77/586926577.db2.gz RORCBBBFXXHKLN-FOQNGQEVSA-N 0 3 238.331 0.934 20 0 BCADHN CC[S@@](=O)CCNC[C@@H](O)CSC ZINC000819048261 586927569 /nfs/dbraw/zinc/92/75/69/586927569.db2.gz VWEHBICLTHVHKQ-AMIZOPFISA-N 0 3 225.379 0.069 20 0 BCADHN CCN(CC)[C@H](C)CNCCS(C)(=O)=O ZINC000819061704 586928184 /nfs/dbraw/zinc/92/81/84/586928184.db2.gz MPMXWVQFIOJALA-SNVBAGLBSA-N 0 3 236.381 0.351 20 0 BCADHN CC[C@@H](NCCS(C)(=O)=O)[C@@H]1CCCO1 ZINC000819190050 586937055 /nfs/dbraw/zinc/93/70/55/586937055.db2.gz ZDOHRFRQCHSITR-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@@H](NCCS(C)(=O)=O)C1=CCN(C)CC1 ZINC000819219449 586939835 /nfs/dbraw/zinc/93/98/35/586939835.db2.gz DSPYAYQNDDBYCM-SNVBAGLBSA-N 0 3 246.376 0.271 20 0 BCADHN CS(=O)(=O)CCNCCC[C@@H]1CCCCO1 ZINC000819234945 586941011 /nfs/dbraw/zinc/94/10/11/586941011.db2.gz USZUCTAGMPBMJG-NSHDSACASA-N 0 3 249.376 0.970 20 0 BCADHN CC(C)OCC[C@H](O)CNCc1cnnn1C ZINC000819315122 586950949 /nfs/dbraw/zinc/95/09/49/586950949.db2.gz UOTIOVPCSKLXHJ-NSHDSACASA-N 0 3 242.323 0.081 20 0 BCADHN CCC(O)(CC)CN(C)[C@@H]1CCC(=O)NC1=O ZINC000860066782 589078703 /nfs/dbraw/zinc/07/87/03/589078703.db2.gz YEXCTAMZCLLEBK-SECBINFHSA-N 0 3 242.319 0.275 20 0 BCADHN CN(C)C1(C(=O)N2CCC[C@H](O)CC2)CCC1 ZINC000819324665 586951942 /nfs/dbraw/zinc/95/19/42/586951942.db2.gz VKDVMTCOAIILDG-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CN(C)CCN(C)C(=O)/C=C\[C@@H]1CCCO1 ZINC000819348056 586955206 /nfs/dbraw/zinc/95/52/06/586955206.db2.gz LDKQYHYLUOUGLI-ZADCQDASSA-N 0 3 226.320 0.742 20 0 BCADHN CC(C)[C@@H]1C[C@H]1CNCCS(C)(=O)=O ZINC000819348000 586955322 /nfs/dbraw/zinc/95/53/22/586955322.db2.gz FCEONLXGBKDZNH-UWVGGRQHSA-N 0 3 219.350 0.913 20 0 BCADHN C[C@H](NCCC(=O)NC(N)=O)c1ccns1 ZINC000860051805 589077123 /nfs/dbraw/zinc/07/71/23/589077123.db2.gz RZVXEAQVEPIDLV-LURJTMIESA-N 0 3 242.304 0.379 20 0 BCADHN C[C@@H](CC(=O)NOCCN(C)C)n1cccn1 ZINC000819546295 586977026 /nfs/dbraw/zinc/97/70/26/586977026.db2.gz TWKQPJPPRZUVKB-JTQLQIEISA-N 0 3 240.307 0.444 20 0 BCADHN CCOC(=O)CCN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860157202 589082582 /nfs/dbraw/zinc/08/25/82/589082582.db2.gz OKJPUHVGVSAFCI-RKDXNWHRSA-N 0 3 227.260 0.044 20 0 BCADHN CN(C)CCN(C)C(=O)CN1CCCC1 ZINC000820527595 587052682 /nfs/dbraw/zinc/05/26/82/587052682.db2.gz PVTCQSKTJMNUAM-UHFFFAOYSA-N 0 3 213.325 0.102 20 0 BCADHN C[C@H](CCCO)N[C@H](C)c1cnnn1C ZINC000820812422 587073952 /nfs/dbraw/zinc/07/39/52/587073952.db2.gz KJKMXAJWFJGZFZ-RKDXNWHRSA-N 0 3 212.297 0.627 20 0 BCADHN CC[C@H](COC)N[C@H](C)c1cnnn1C ZINC000820811789 587074245 /nfs/dbraw/zinc/07/42/45/587074245.db2.gz WDLHHYGZYIEGOY-RKDXNWHRSA-N 0 3 212.297 0.891 20 0 BCADHN COc1cc([C@H](C)NC[C@@H](O)CN(C)C)on1 ZINC000820810556 587074404 /nfs/dbraw/zinc/07/44/04/587074404.db2.gz ZCCWUVWMNIBOJN-DTWKUNHWSA-N 0 3 243.307 0.256 20 0 BCADHN CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC000820865894 587078424 /nfs/dbraw/zinc/07/84/24/587078424.db2.gz BXZOGOGVLDFGSP-UHFFFAOYSA-N 0 3 226.320 0.456 20 0 BCADHN O=C1OC[C@@H]2CN(CCc3cccnc3)C[C@H]12 ZINC000860164390 589084655 /nfs/dbraw/zinc/08/46/55/589084655.db2.gz HHQXHGQCNRGLHI-RYUDHWBXSA-N 0 3 232.283 0.729 20 0 BCADHN CN(C)CCONC(=O)c1cc2c[nH]ccc-2n1 ZINC000820997048 587087021 /nfs/dbraw/zinc/08/70/21/587087021.db2.gz PFBBLSFFEUGSEP-UHFFFAOYSA-N 0 3 248.286 0.786 20 0 BCADHN O=C(CN1CCCC1)N1CC(C(F)F)C1 ZINC000821008363 587088071 /nfs/dbraw/zinc/08/80/71/587088071.db2.gz XMWWJHXCJFMKGP-UHFFFAOYSA-N 0 3 218.247 0.806 20 0 BCADHN CC(C)COCCN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860165553 589084877 /nfs/dbraw/zinc/08/48/77/589084877.db2.gz ADJDYVGFTDBMRQ-GHMZBOCLSA-N 0 3 227.304 0.764 20 0 BCADHN C/C=C\C(=O)N[C@H](CO)CN1CCCCC1 ZINC000840457288 587104990 /nfs/dbraw/zinc/10/49/90/587104990.db2.gz WYFBYDYDPKIAAR-ZYVOWACSSA-N 0 3 226.320 0.526 20 0 BCADHN C[C@H]1CC[C@@H](CN2C[C@@H]3COC(=O)[C@@H]3C2)O1 ZINC000860166873 589085877 /nfs/dbraw/zinc/08/58/77/589085877.db2.gz XJVPEIQVPWNWOF-ZRUFSTJUSA-N 0 3 225.288 0.659 20 0 BCADHN COCCCN(C)C[C@@H]1CCC(=O)O1 ZINC000821362580 587112276 /nfs/dbraw/zinc/11/22/76/587112276.db2.gz LXDFDZIQQBVRRQ-VIFPVBQESA-N 0 3 201.266 0.660 20 0 BCADHN CO[C@H]1CC[C@H](N2CCNC(=O)CC2)C1 ZINC000821369495 587112993 /nfs/dbraw/zinc/11/29/93/587112993.db2.gz UZMKCSCHASZWLQ-UWVGGRQHSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1C(=O)CN1CCCC1 ZINC000821526598 587125941 /nfs/dbraw/zinc/12/59/41/587125941.db2.gz DTGUZSWOCYEVNH-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@@H]1[C@@H](C)N(C(=O)CN2CCCC2)CCN1C ZINC000821526601 587126106 /nfs/dbraw/zinc/12/61/06/587126106.db2.gz DTGUZSWOCYEVNH-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN CN(CC(=O)NCCOC(N)=O)CC(C)(C)C ZINC000821558077 587128215 /nfs/dbraw/zinc/12/82/15/587128215.db2.gz XEYCQXIAXVSTLS-UHFFFAOYSA-N 0 3 245.323 0.590 20 0 BCADHN Cn1cncc1CCNC(=O)CN1CCCC1 ZINC000821833882 587142038 /nfs/dbraw/zinc/14/20/38/587142038.db2.gz XURNROUAJDBNGW-UHFFFAOYSA-N 0 3 236.319 0.175 20 0 BCADHN COC(CN(CCCO)CC[C@H](C)O)OC ZINC000822835991 587188348 /nfs/dbraw/zinc/18/83/48/587188348.db2.gz IKJNAXATMUBYLN-JTQLQIEISA-N 0 3 235.324 0.061 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C1(Br)CC1 ZINC000822927731 587193969 /nfs/dbraw/zinc/19/39/69/587193969.db2.gz RFAQVOPODWYBJJ-ZETCQYMHSA-N 0 3 249.152 0.980 20 0 BCADHN CN(C)CCN(C)C(=O)NCc1ncccn1 ZINC000822987321 587196836 /nfs/dbraw/zinc/19/68/36/587196836.db2.gz MPJGQWLKNPTKSN-UHFFFAOYSA-N 0 3 237.307 0.180 20 0 BCADHN CN1CCCN(C(=O)NCc2ncccn2)CC1 ZINC000822998890 587197825 /nfs/dbraw/zinc/19/78/25/587197825.db2.gz BDLSDRDRBWLISE-UHFFFAOYSA-N 0 3 249.318 0.324 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N(C)OC)C1 ZINC000823049035 587199501 /nfs/dbraw/zinc/19/95/01/587199501.db2.gz KVKQLXMMGQTTIK-SECBINFHSA-N 0 3 215.297 0.674 20 0 BCADHN C[N@@H+]1CC[C@@H](CC(=O)[N-]OCC2CC2)C1 ZINC000823146402 587205510 /nfs/dbraw/zinc/20/55/10/587205510.db2.gz YPNTZSUNLICDCK-JTQLQIEISA-N 0 3 212.293 0.786 20 0 BCADHN C[N@H+]1CC[C@@H](CC(=O)[N-]OCC2CC2)C1 ZINC000823146402 587205512 /nfs/dbraw/zinc/20/55/12/587205512.db2.gz YPNTZSUNLICDCK-JTQLQIEISA-N 0 3 212.293 0.786 20 0 BCADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CO)C1 ZINC000823222609 587209598 /nfs/dbraw/zinc/20/95/98/587209598.db2.gz NDBCJBQJQWUHHC-LLVKDONJSA-N 0 3 234.299 0.498 20 0 BCADHN O=C(CN1CCCC1)NCc1n[nH]c(C2CC2)n1 ZINC000823267389 587212883 /nfs/dbraw/zinc/21/28/83/587212883.db2.gz BPYKYAYESYEDFR-UHFFFAOYSA-N 0 3 249.318 0.394 20 0 BCADHN O=C(C[NH+]1CCCC1)NCc1nnc(C2CC2)[n-]1 ZINC000823267389 587212884 /nfs/dbraw/zinc/21/28/84/587212884.db2.gz BPYKYAYESYEDFR-UHFFFAOYSA-N 0 3 249.318 0.394 20 0 BCADHN C[N@@H+]1CC[C@@H](CC(=O)[N-]OC(C)(C)CO)C1 ZINC000823301652 587214867 /nfs/dbraw/zinc/21/48/67/587214867.db2.gz GVFLASXDWPCOPD-VIFPVBQESA-N 0 3 230.308 0.147 20 0 BCADHN C[N@H+]1CC[C@@H](CC(=O)[N-]OC(C)(C)CO)C1 ZINC000823301652 587214869 /nfs/dbraw/zinc/21/48/69/587214869.db2.gz GVFLASXDWPCOPD-VIFPVBQESA-N 0 3 230.308 0.147 20 0 BCADHN CO[C@H](C)Cc1nc(N2CCNCC2)no1 ZINC000823334680 587216654 /nfs/dbraw/zinc/21/66/54/587216654.db2.gz JNEUAXJDSPAQAM-MRVPVSSYSA-N 0 3 226.280 0.057 20 0 BCADHN CS[C@H](C)c1nc(N2CCNCC2)no1 ZINC000823347719 587217232 /nfs/dbraw/zinc/21/72/32/587217232.db2.gz VHRLCUGSKVXGBK-SSDOTTSWSA-N 0 3 228.321 0.903 20 0 BCADHN C1=CCC(c2nc(N3CCNCC3)no2)C1 ZINC000823347074 587217492 /nfs/dbraw/zinc/21/74/92/587217492.db2.gz PIBIVAYKYILEIA-UHFFFAOYSA-N 0 3 220.276 0.913 20 0 BCADHN CCn1nc(C)c(CN2CCCN(C)CC2)n1 ZINC000823371869 587217958 /nfs/dbraw/zinc/21/79/58/587217958.db2.gz OLLBBRNLZBCDJK-UHFFFAOYSA-N 0 3 237.351 0.744 20 0 BCADHN COC(OC)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000823476380 587225193 /nfs/dbraw/zinc/22/51/93/587225193.db2.gz ZLNOROLRJXDVAK-SNVBAGLBSA-N 0 3 244.335 0.546 20 0 BCADHN CCC(=O)N1CCN(CCN2CCCC2)C1 ZINC000823492629 587226715 /nfs/dbraw/zinc/22/67/15/587226715.db2.gz RBKFRWRLMJFUAJ-UHFFFAOYSA-N 0 3 225.336 0.594 20 0 BCADHN CCN1CC[C@H](NC(=O)CN2CCCC2)C1 ZINC000823610636 587232392 /nfs/dbraw/zinc/23/23/92/587232392.db2.gz RBNCCJOUMRXEGZ-NSHDSACASA-N 0 3 225.336 0.293 20 0 BCADHN CCn1nc(C)c(CNC[C@H]2CCCN2C)n1 ZINC000823729748 587238198 /nfs/dbraw/zinc/23/81/98/587238198.db2.gz KLKMQKUCLCRLHY-LLVKDONJSA-N 0 3 237.351 0.790 20 0 BCADHN CCN(C(=O)CN1CCCC1)[C@@H]1CCN(C)C1 ZINC000824400766 587269614 /nfs/dbraw/zinc/26/96/14/587269614.db2.gz DNISQURUTDIOFB-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN CCCN(C)CC(=O)NCCCN(C)OC ZINC000824530604 587273850 /nfs/dbraw/zinc/27/38/50/587273850.db2.gz FDCPYCSXTCUDFU-UHFFFAOYSA-N 0 3 231.340 0.328 20 0 BCADHN CC[C@@H]1CN(C(=O)CN2CCCC2)C[C@H](C)N1 ZINC000824752230 587285723 /nfs/dbraw/zinc/28/57/23/587285723.db2.gz CPFKQNYBCNIIRA-NWDGAFQWSA-N 0 3 239.363 0.681 20 0 BCADHN CC(C)[C@H]1CN(C(=O)CN2CCCC2)CCN1 ZINC000824778600 587287001 /nfs/dbraw/zinc/28/70/01/587287001.db2.gz LGRMQMQNAPWEMM-GFCCVEGCSA-N 0 3 239.363 0.539 20 0 BCADHN CCN(C(=O)[C@@H]1C[C@H]1OC)[C@@H]1CCN(C)C1 ZINC000824835271 587288987 /nfs/dbraw/zinc/28/89/87/587288987.db2.gz PHMKEQWYTJHEPF-GMTAPVOTSA-N 0 3 226.320 0.574 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)NC/C=C/CO ZINC000824941247 587294138 /nfs/dbraw/zinc/29/41/38/587294138.db2.gz MUQZJSMMMYLSEN-UFFNRZRYSA-N 0 3 226.320 0.524 20 0 BCADHN CC[C@@H](C)N1CCN(Cc2cnn(C)n2)CC1 ZINC000825099063 587304708 /nfs/dbraw/zinc/30/47/08/587304708.db2.gz SZWPJIUGBZIZLA-LLVKDONJSA-N 0 3 237.351 0.731 20 0 BCADHN CC[C@@H](O)CNC(=O)[C@@H]1CCCN1C(C)C ZINC000825258560 587311646 /nfs/dbraw/zinc/31/16/46/587311646.db2.gz XPUQCJIJQIQIIH-MNOVXSKESA-N 0 3 228.336 0.746 20 0 BCADHN COC(=O)N1CC(N[C@H]2CO[C@H](C3CC3)C2)C1 ZINC000825357583 587316783 /nfs/dbraw/zinc/31/67/83/587316783.db2.gz IBJLGJWFEBBKKC-KOLCDFICSA-N 0 3 240.303 0.594 20 0 BCADHN CC1=NO[C@@H](C(=O)N2CCC[C@@H]2CN(C)C)C1 ZINC000825567553 587325527 /nfs/dbraw/zinc/32/55/27/587325527.db2.gz KCFNNCMQBUVQOC-GHMZBOCLSA-N 0 3 239.319 0.704 20 0 BCADHN CCCN1CC[C@@H](NC(=O)[C@](C)(O)CC)C1 ZINC000825625563 587328062 /nfs/dbraw/zinc/32/80/62/587328062.db2.gz NEGXTNMDEJBQOY-ZYHUDNBSSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H]1C[C@H](NCCN(C)C(=O)[O-])CC[N@@H+]1C ZINC000825853020 587341510 /nfs/dbraw/zinc/34/15/10/587341510.db2.gz SPGRZNHLCVWYLY-NXEZZACHSA-N 0 3 229.324 0.669 20 0 BCADHN C[C@@H]1C[C@H](NCCN(C)C(=O)[O-])CC[N@H+]1C ZINC000825853020 587341512 /nfs/dbraw/zinc/34/15/12/587341512.db2.gz SPGRZNHLCVWYLY-NXEZZACHSA-N 0 3 229.324 0.669 20 0 BCADHN CCn1c(CNC(=O)CNC)nc2ccccc21 ZINC000825956830 587346985 /nfs/dbraw/zinc/34/69/85/587346985.db2.gz APAFXFZHQWCVMS-UHFFFAOYSA-N 0 3 246.314 0.892 20 0 BCADHN OCC[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826509727 587353506 /nfs/dbraw/zinc/35/35/06/587353506.db2.gz HFKPCTMIFCQGAG-UHFFFAOYSA-N 0 3 245.286 0.438 20 0 BCADHN OCC[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826509727 587353507 /nfs/dbraw/zinc/35/35/07/587353507.db2.gz HFKPCTMIFCQGAG-UHFFFAOYSA-N 0 3 245.286 0.438 20 0 BCADHN CCN1CCCN(C(=O)[C@@H]2CC(C)=NO2)CC1 ZINC000826901981 587364992 /nfs/dbraw/zinc/36/49/92/587364992.db2.gz GDJWIDMKQGHEPP-NSHDSACASA-N 0 3 239.319 0.705 20 0 BCADHN CC1(CC(=O)N2CC[C@H](N3CCC3)C2)COC1 ZINC000826948559 587366426 /nfs/dbraw/zinc/36/64/26/587366426.db2.gz AGRMVZDCXKPJCB-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN CN(C(=O)Cc1ncc[nH]1)[C@@H]1CN2CCC1CC2 ZINC000827264893 587374597 /nfs/dbraw/zinc/37/45/97/587374597.db2.gz DCNUNEHHTMASTF-LLVKDONJSA-N 0 3 248.330 0.505 20 0 BCADHN CN1CC[C@H]2CN(C(=O)C3CC(=O)C3)CC[C@@H]21 ZINC000827291494 587375615 /nfs/dbraw/zinc/37/56/15/587375615.db2.gz WSOXQAURMQUWJF-CABZTGNLSA-N 0 3 236.315 0.518 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)COc1ccccc1 ZINC000827414762 587380625 /nfs/dbraw/zinc/38/06/25/587380625.db2.gz HOLVPHZDWLBJNT-NXEZZACHSA-N 0 3 222.288 0.917 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000827703043 587397930 /nfs/dbraw/zinc/39/79/30/587397930.db2.gz AFDRADLNYACWOW-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CCc1cc(NC(=O)[C@@]2(F)CCNC2)n[nH]1 ZINC000827712551 587398214 /nfs/dbraw/zinc/39/82/14/587398214.db2.gz JNYCOPRODSZYMV-SNVBAGLBSA-N 0 3 226.255 0.612 20 0 BCADHN COC(=O)CCCCNC(=O)[C@@]1(F)CCNC1 ZINC000827792664 587402805 /nfs/dbraw/zinc/40/28/05/587402805.db2.gz MVMLRHLKSPGMPR-LLVKDONJSA-N 0 3 246.282 0.148 20 0 BCADHN COC(=O)CC1CCN(CC[S@@](C)=O)CC1 ZINC000827808871 587403703 /nfs/dbraw/zinc/40/37/03/587403703.db2.gz RYDOGLOKKCJFLT-MRXNPFEDSA-N 0 3 247.360 0.640 20 0 BCADHN CN(CC[S@](C)=O)C[C@@H]1CCCN(C)C1 ZINC000827878462 587407301 /nfs/dbraw/zinc/40/73/01/587407301.db2.gz WUXYTDZKRBGIKC-ABAIWWIYSA-N 0 3 232.393 0.639 20 0 BCADHN C[S@@](=O)CCN1CC[C@H](N2CCCCC2)C1 ZINC000827913965 587410082 /nfs/dbraw/zinc/41/00/82/587410082.db2.gz UJDRVCJVWOPZRZ-BLLLJJGKSA-N 0 3 244.404 0.925 20 0 BCADHN Cc1ccccc1[C@H](CO)NCC[S@](C)=O ZINC000828212077 587424053 /nfs/dbraw/zinc/42/40/53/587424053.db2.gz OPPYHLRYKNUSHD-LRDDRELGSA-N 0 3 241.356 0.997 20 0 BCADHN CCCONC(=O)NC[C@@H]1CCCN(C)C1 ZINC000828268061 587429411 /nfs/dbraw/zinc/42/94/11/587429411.db2.gz COEALWKHFOTGIX-JTQLQIEISA-N 0 3 229.324 0.969 20 0 BCADHN CN(CC[S@](C)=O)[C@H]1CC[C@H](O)CC1 ZINC000828389567 587439498 /nfs/dbraw/zinc/43/94/98/587439498.db2.gz LLIFHVJSWIEWGG-BHDSKKPTSA-N 0 3 219.350 0.600 20 0 BCADHN C[S@](=O)CCN[C@@H]1Cc2cccc(O)c2C1 ZINC000828426959 587441657 /nfs/dbraw/zinc/44/16/57/587441657.db2.gz FKOIFIHIFGPBLH-HWPZZCPQSA-N 0 3 239.340 0.828 20 0 BCADHN CC[C@H]1CN(CC[S@](C)=O)CCCO1 ZINC000828462096 587443791 /nfs/dbraw/zinc/44/37/91/587443791.db2.gz LCTAHLSINCRWCJ-HZMBPMFUSA-N 0 3 219.350 0.866 20 0 BCADHN C[S@](=O)CCN1CC[C@@]2(C1)CCCOC2 ZINC000828478127 587444968 /nfs/dbraw/zinc/44/49/68/587444968.db2.gz UJCMDSPMVYIALI-ABAIWWIYSA-N 0 3 231.361 0.867 20 0 BCADHN C[C@H]1CN(CC[S@@](C)=O)CCN(C2CC2)C1 ZINC000828581104 587450698 /nfs/dbraw/zinc/45/06/98/587450698.db2.gz GJRMKODWSNZKNU-MEDUHNTESA-N 0 3 244.404 0.781 20 0 BCADHN CN1CC[C@]2(CCN(CC[S@](C)=O)C2)C1 ZINC000828571202 587451356 /nfs/dbraw/zinc/45/13/56/587451356.db2.gz NKEORHCIYXPVOG-NHYWBVRUSA-N 0 3 230.377 0.393 20 0 BCADHN CS[C@H]1CCN(CC[S@@](C)=O)C1 ZINC000828587427 587452211 /nfs/dbraw/zinc/45/22/11/587452211.db2.gz HXGRTFRGZWZPLE-QPUJVOFHSA-N 0 3 207.364 0.802 20 0 BCADHN C[C@@H]1[C@H](CO)CCCN1CC[S@@](C)=O ZINC000828627041 587454621 /nfs/dbraw/zinc/45/46/21/587454621.db2.gz NGKNEAGIAXCBAM-ISTVAULSSA-N 0 3 219.350 0.458 20 0 BCADHN CN(CC[S@@](C)=O)C[C@H]1CCCN1C ZINC000828634031 587454917 /nfs/dbraw/zinc/45/49/17/587454917.db2.gz ZBTBBQZJLIAIPD-QMTHXVAHSA-N 0 3 218.366 0.391 20 0 BCADHN CN1CC[C@@H](C(=O)Nc2ccn(CCF)n2)C1 ZINC000828852920 587467058 /nfs/dbraw/zinc/46/70/58/587467058.db2.gz XVILOTCCQYLFOI-SECBINFHSA-N 0 3 240.282 0.743 20 0 BCADHN CCC[C@H](O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000828959773 587476153 /nfs/dbraw/zinc/47/61/53/587476153.db2.gz PBFIAEPXMRINIV-WOPDTQHZSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H]1CC[C@@](CO)(N(C)CC[S@@](C)=O)C1 ZINC000828992749 587478103 /nfs/dbraw/zinc/47/81/03/587478103.db2.gz YPPZMZLEIRBTSK-UEKVPHQBSA-N 0 3 233.377 0.848 20 0 BCADHN CC1=NO[C@@H](C(=O)NCCN2CC[C@@H](C)C2)C1 ZINC000829439626 587497231 /nfs/dbraw/zinc/49/72/31/587497231.db2.gz DRQXGYDNCYLACU-MWLCHTKSSA-N 0 3 239.319 0.609 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@@H](O)C2CC2)C1 ZINC000829442517 587497682 /nfs/dbraw/zinc/49/76/82/587497682.db2.gz XWDVUXJTUIEUOY-KOLCDFICSA-N 0 3 226.320 0.215 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N1CC=C[C@H]1CO ZINC000829471572 587499177 /nfs/dbraw/zinc/49/91/77/587499177.db2.gz QUHMLZJXAVCBDF-NWDGAFQWSA-N 0 3 238.331 0.619 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)[C@@H](C)CC)[nH]n1 ZINC000829500611 587501109 /nfs/dbraw/zinc/50/11/09/587501109.db2.gz OHPFGSRMZPYZKU-KWQFWETISA-N 0 3 238.335 0.962 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)[C@@H](C)CC)n[nH]1 ZINC000829500611 587501110 /nfs/dbraw/zinc/50/11/10/587501110.db2.gz OHPFGSRMZPYZKU-KWQFWETISA-N 0 3 238.335 0.962 20 0 BCADHN C[C@@]1(CNC(=O)[C@@]2(F)CCNC2)CCOC1 ZINC000829544301 587502976 /nfs/dbraw/zinc/50/29/76/587502976.db2.gz LNUMERNZPZYKAK-WDEREUQCSA-N 0 3 230.283 0.231 20 0 BCADHN C[C@]1(CNC(=O)[C@]2(F)CCNC2)CCOC1 ZINC000829544299 587503049 /nfs/dbraw/zinc/50/30/49/587503049.db2.gz LNUMERNZPZYKAK-MNOVXSKESA-N 0 3 230.283 0.231 20 0 BCADHN C[S@@](=O)CCN1CC[C@@H]2OCC[C@@H]2C1 ZINC000829578904 587504394 /nfs/dbraw/zinc/50/43/94/587504394.db2.gz AGCCAODWDDOTKH-ISTVAULSSA-N 0 3 217.334 0.476 20 0 BCADHN O=C1OCCN1CCN1CC[C@@H]2OCC[C@@H]2C1 ZINC000829624165 587506226 /nfs/dbraw/zinc/50/62/26/587506226.db2.gz CSZQLECCSXEFBI-MNOVXSKESA-N 0 3 240.303 0.549 20 0 BCADHN N[C@H](C(=O)NCCOc1cccnc1)C1CCC1 ZINC000829636781 587506978 /nfs/dbraw/zinc/50/69/78/587506978.db2.gz ILLTXPJHVDDYAT-LBPRGKRZSA-N 0 3 249.314 0.704 20 0 BCADHN C[C@H](C(=O)N1CC=C(N)N1)N1[C@H](C)CC[C@@H]1C ZINC000829831218 587521303 /nfs/dbraw/zinc/52/13/03/587521303.db2.gz JKHUMZCIHUJMGW-KXUCPTDWSA-N 0 3 238.335 0.395 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC=C(N)N1 ZINC000829836601 587521538 /nfs/dbraw/zinc/52/15/38/587521538.db2.gz OPEVBDNECQBBHZ-RKDXNWHRSA-N 0 3 224.308 0.006 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N1CC=C(N)N1 ZINC000829836600 587521729 /nfs/dbraw/zinc/52/17/29/587521729.db2.gz OPEVBDNECQBBHZ-IUCAKERBSA-N 0 3 224.308 0.006 20 0 BCADHN CC(C)(C(=O)N1CC=C(N)N1)N1CCCCC1 ZINC000829858249 587525085 /nfs/dbraw/zinc/52/50/85/587525085.db2.gz PRPVEEQVBMVLRV-UHFFFAOYSA-N 0 3 238.335 0.398 20 0 BCADHN CCN(CC[S@](C)=O)C[C@@H](C)OC ZINC000829980489 587530798 /nfs/dbraw/zinc/53/07/98/587530798.db2.gz WZCWDHBBRHDUFR-RNCFNFMXSA-N 0 3 207.339 0.722 20 0 BCADHN CCn1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)nn1 ZINC000830111152 587536035 /nfs/dbraw/zinc/53/60/35/587536035.db2.gz LUXAVELMFXZEJL-RKDXNWHRSA-N 0 3 237.307 0.120 20 0 BCADHN CCC[C@H](O)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000830110549 587536283 /nfs/dbraw/zinc/53/62/83/587536283.db2.gz HDACSQADXOKYBO-UTLUCORTSA-N 0 3 214.309 0.356 20 0 BCADHN CCC[C@H](O)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000830110546 587536539 /nfs/dbraw/zinc/53/65/39/587536539.db2.gz HDACSQADXOKYBO-BBBLOLIVSA-N 0 3 214.309 0.356 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000830112516 587536560 /nfs/dbraw/zinc/53/65/60/587536560.db2.gz SQCWVBPBRCDGKT-DOLQZWNJSA-N 0 3 212.293 0.230 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)CC2(C)COC2)CCN1C ZINC000830111116 587536580 /nfs/dbraw/zinc/53/65/80/587536580.db2.gz LLKBEQBSCYNJHV-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN CC(=O)NCCN(C)CC[C@H]1CCOC1=O ZINC000830131665 587538419 /nfs/dbraw/zinc/53/84/19/587538419.db2.gz YFKAZSHBLIARMT-JTQLQIEISA-N 0 3 228.292 0.008 20 0 BCADHN CCN(CCc1ccccn1)C(=O)[C@@H]1C[C@@H]1N ZINC000830355998 587547563 /nfs/dbraw/zinc/54/75/63/587547563.db2.gz RFMQXGKGCHJVDQ-NEPJUHHUSA-N 0 3 233.315 0.820 20 0 BCADHN CCN(CCc1ccccn1)C(=O)CNC ZINC000830355721 587547629 /nfs/dbraw/zinc/54/76/29/587547629.db2.gz MXVIFGHYQOOKIU-UHFFFAOYSA-N 0 3 221.304 0.692 20 0 BCADHN CC[C@H](O)CN[C@H](C(=O)N(C)CC)C(C)C ZINC000830869078 587574520 /nfs/dbraw/zinc/57/45/20/587574520.db2.gz PODBLLQTSGADMP-QWRGUYRKSA-N 0 3 230.352 0.850 20 0 BCADHN CCN(C)C(=O)[C@@H](NCC(OC)OC)C(C)C ZINC000830869104 587574657 /nfs/dbraw/zinc/57/46/57/587574657.db2.gz QLVXFGFFWMWXBI-NSHDSACASA-N 0 3 246.351 0.698 20 0 BCADHN CC[C@H](CN1CC[C@@H]2COC(=O)N[C@H]2C1)OC ZINC000830900944 587576483 /nfs/dbraw/zinc/57/64/83/587576483.db2.gz PFDIZBACRLWTFM-MXWKQRLJSA-N 0 3 242.319 0.842 20 0 BCADHN CCC[C@H](O)CN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830904951 587576816 /nfs/dbraw/zinc/57/68/16/587576816.db2.gz DQVQHMXPUGFSNK-VWYCJHECSA-N 0 3 242.319 0.578 20 0 BCADHN C[C@@H](O)CCCN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830904941 587577128 /nfs/dbraw/zinc/57/71/28/587577128.db2.gz DOWYHVXTSPBCFT-MXWKQRLJSA-N 0 3 242.319 0.578 20 0 BCADHN CN(C)c1nc(CNC(=O)[C@@H]2C[C@@H]2N)cs1 ZINC000830999314 587581380 /nfs/dbraw/zinc/58/13/80/587581380.db2.gz GLOPJFJXONSIPM-SFYZADRCSA-N 0 3 240.332 0.173 20 0 BCADHN C[C@H](N(C)CC1OCCO1)C(C)(C)O ZINC000831019663 587582683 /nfs/dbraw/zinc/58/26/83/587582683.db2.gz FKIUPRQGZZXPAY-QMMMGPOBSA-N 0 3 203.282 0.451 20 0 BCADHN CO[C@@H]1C[C@H](NC(=O)[C@@]2(F)CCNC2)C1(C)C ZINC000831133329 587586842 /nfs/dbraw/zinc/58/68/42/587586842.db2.gz UZFWPOJVJSLDRP-YGOYTEALSA-N 0 3 244.310 0.618 20 0 BCADHN CC[C@@H]1CO[C@H](C)CN1C(=O)[C@@]1(F)CCNC1 ZINC000831156210 587588099 /nfs/dbraw/zinc/58/80/99/587588099.db2.gz QODXGKFNWLYONX-CKYFFXLPSA-N 0 3 244.310 0.714 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@@]1(F)CCNC1 ZINC000831161034 587588480 /nfs/dbraw/zinc/58/84/80/587588480.db2.gz NXKWNTAVBOLLKK-MWLCHTKSSA-N 0 3 232.299 0.355 20 0 BCADHN CC[C@H](C[C@@H](C)O)NC(=O)[C@@H](CC)N(C)C ZINC000831285751 587593283 /nfs/dbraw/zinc/59/32/83/587593283.db2.gz GDCTVULLXKDXFE-GMTAPVOTSA-N 0 3 230.352 0.992 20 0 BCADHN Cc1c[nH]c(NC(=O)[C@]2(F)CCNC2)n1 ZINC000831318399 587598284 /nfs/dbraw/zinc/59/82/84/587598284.db2.gz RYHRBIIBOPDCSK-VIFPVBQESA-N 0 3 212.228 0.358 20 0 BCADHN CO[C@@H]1C[C@H](N[C@H]2CCC(=O)NC2=O)C1(C)C ZINC000831338341 587599439 /nfs/dbraw/zinc/59/94/39/587599439.db2.gz HVGQEEMLGLSJCI-XHNCKOQMSA-N 0 3 240.303 0.195 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCc1ccc(F)cn1 ZINC000831368272 587601988 /nfs/dbraw/zinc/60/19/88/587601988.db2.gz DWYCSRTVGDBAEZ-MRVPVSSYSA-N 0 3 237.278 0.977 20 0 BCADHN Cc1cc(NC(=O)[C@@]2(F)CCNC2)nn1C ZINC000831431924 587606308 /nfs/dbraw/zinc/60/63/08/587606308.db2.gz UPBCUAUEACHMOT-SNVBAGLBSA-N 0 3 226.255 0.369 20 0 BCADHN O=C(N1CCOC[C@H]1C1CC1)[C@]1(F)CCNC1 ZINC000831470582 587611638 /nfs/dbraw/zinc/61/16/38/587611638.db2.gz PDNZXWPVNHKCHC-JQWIXIFHSA-N 0 3 242.294 0.325 20 0 BCADHN CCC[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000831471470 587611840 /nfs/dbraw/zinc/61/18/40/587611840.db2.gz XHNILFHIUAVIDA-ZYHUDNBSSA-N 0 3 244.310 0.716 20 0 BCADHN CCON(CC)C(=O)C(C)S(C)(=O)=O ZINC000831486859 587613486 /nfs/dbraw/zinc/61/34/86/587613486.db2.gz AGKDVUOLOQSVKR-SSDOTTSWSA-N 0 3 223.294 0.220 20 0 BCADHN CO[C@@H]1CCC[C@@H]1CNC(=O)[C@@]1(F)CCNC1 ZINC000831518466 587615802 /nfs/dbraw/zinc/61/58/02/587615802.db2.gz UWOMMLRFSNPDAP-CKYFFXLPSA-N 0 3 244.310 0.619 20 0 BCADHN CO[C@H](C)CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000831593746 587622200 /nfs/dbraw/zinc/62/22/00/587622200.db2.gz OQWDMCMCYIMXAW-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)CCN1 ZINC000831599075 587622729 /nfs/dbraw/zinc/62/27/29/587622729.db2.gz JNVMDYYRYPDUJY-GFCCVEGCSA-N 0 3 249.314 0.390 20 0 BCADHN CCO[C@H](CNC(=O)CCF)CN(C)C ZINC000831701812 587628239 /nfs/dbraw/zinc/62/82/39/587628239.db2.gz GSNKTBGGWWKVIK-SECBINFHSA-N 0 3 220.288 0.429 20 0 BCADHN CCO[C@@H](CNC(=O)C1(OC)CC1)CN(C)C ZINC000831707626 587628363 /nfs/dbraw/zinc/62/83/63/587628363.db2.gz JDJWPAULMKPQHV-JTQLQIEISA-N 0 3 244.335 0.248 20 0 BCADHN CCO[C@H](CNC(=O)C(C)(F)F)CN(C)C ZINC000831713179 587629232 /nfs/dbraw/zinc/62/92/32/587629232.db2.gz JJTSADDAVWVJFN-MRVPVSSYSA-N 0 3 238.278 0.725 20 0 BCADHN CCC[C@H](O)C(=O)NC[C@H](CN(C)C)OCC ZINC000831781259 587629498 /nfs/dbraw/zinc/62/94/98/587629498.db2.gz JUJPSCNADXAOCP-MNOVXSKESA-N 0 3 246.351 0.230 20 0 BCADHN CCO[C@@H](CNC(=O)c1cnco1)CN(C)C ZINC000831738114 587629714 /nfs/dbraw/zinc/62/97/14/587629714.db2.gz NKSLMLUSWUTRDB-VIFPVBQESA-N 0 3 241.291 0.371 20 0 BCADHN CC[C@@H]1C[C@@H](NC(=O)[C@]2(F)CCNC2)CCO1 ZINC000831741835 587629734 /nfs/dbraw/zinc/62/97/34/587629734.db2.gz QFVVEPNDEBRXNM-UMNHJUIQSA-N 0 3 244.310 0.762 20 0 BCADHN CCn1nc(C)c(CNC(=O)[C@H](N)C(C)C)n1 ZINC000831754077 587630252 /nfs/dbraw/zinc/63/02/52/587630252.db2.gz ULQQEGDMYKLGJP-SNVBAGLBSA-N 0 3 239.323 0.206 20 0 BCADHN CCO[C@@H](CNC(=O)CCSC)CN(C)C ZINC000831775757 587631160 /nfs/dbraw/zinc/63/11/60/587631160.db2.gz BONPVTPUXSLERW-JTQLQIEISA-N 0 3 248.392 0.822 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@@H]1NCC1(C)C ZINC000831916107 587636458 /nfs/dbraw/zinc/63/64/58/587636458.db2.gz HRNJFWXISLMWGC-JTQLQIEISA-N 0 3 242.319 0.444 20 0 BCADHN CCN(CC(F)F)C(=O)[C@@]1(F)CCNC1 ZINC000831966943 587639748 /nfs/dbraw/zinc/63/97/48/587639748.db2.gz YXTBQZRHHSRJNW-SECBINFHSA-N 0 3 224.226 0.802 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1cnc(N)cn1 ZINC000831970231 587640705 /nfs/dbraw/zinc/64/07/05/587640705.db2.gz AJPLFODCKJANDW-SECBINFHSA-N 0 3 249.318 0.273 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1ccc(N)cn1 ZINC000831971033 587640767 /nfs/dbraw/zinc/64/07/67/587640767.db2.gz PMDRXSMKTDKKTR-SNVBAGLBSA-N 0 3 248.330 0.878 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@@]2(F)CCNC2)no1 ZINC000832145601 587646482 /nfs/dbraw/zinc/64/64/82/587646482.db2.gz QKYFELJWTLSYID-SNVBAGLBSA-N 0 3 242.254 0.038 20 0 BCADHN O=C(NCCN1CC=CCC1)[C@@]1(F)CCNC1 ZINC000832178219 587648530 /nfs/dbraw/zinc/64/85/30/587648530.db2.gz ONPXZDWTIOKTBK-GFCCVEGCSA-N 0 3 241.310 0.066 20 0 BCADHN O=C(NCCN1CC=CCC1)[C@]1(F)CCNC1 ZINC000832178220 587648766 /nfs/dbraw/zinc/64/87/66/587648766.db2.gz ONPXZDWTIOKTBK-LBPRGKRZSA-N 0 3 241.310 0.066 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCCN1CCCC1 ZINC000832445829 587660504 /nfs/dbraw/zinc/66/05/04/587660504.db2.gz KCYKEVCDTXKUGL-VXGBXAGGSA-N 0 3 228.336 0.476 20 0 BCADHN Nc1ccc(C(=O)NC2CCC([NH3+])CC2)c([O-])c1 ZINC000832511116 587664343 /nfs/dbraw/zinc/66/43/43/587664343.db2.gz ZQKMQYFMKATLLK-UHFFFAOYSA-N 0 3 249.314 0.974 20 0 BCADHN CCC[C@@H](O)CCNC(=O)CN(CC)CC ZINC000832636702 587671501 /nfs/dbraw/zinc/67/15/01/587671501.db2.gz HMSFLFWWPKWSDN-LLVKDONJSA-N 0 3 230.352 0.996 20 0 BCADHN C[S@](=O)CCN1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000832778061 587688418 /nfs/dbraw/zinc/68/84/18/587688418.db2.gz GWIOOGGPIKHDBF-FTGAXOIBSA-N 0 3 231.361 0.722 20 0 BCADHN O=C([O-])NCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000834236966 587749627 /nfs/dbraw/zinc/74/96/27/587749627.db2.gz BFXDYIAXXHJOSB-WDEREUQCSA-N 0 3 241.335 0.861 20 0 BCADHN O=C([O-])NCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000834236966 587749628 /nfs/dbraw/zinc/74/96/28/587749628.db2.gz BFXDYIAXXHJOSB-WDEREUQCSA-N 0 3 241.335 0.861 20 0 BCADHN C[C@H](CC(=O)N1CCN(C)C[C@@H]1CN)C1CC1 ZINC000834299740 587750849 /nfs/dbraw/zinc/75/08/49/587750849.db2.gz ZAOYZWQSYTYCLX-PWSUYJOCSA-N 0 3 239.363 0.524 20 0 BCADHN COC(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000834568800 587759444 /nfs/dbraw/zinc/75/94/44/587759444.db2.gz CYEJHUMWLXTSJP-JTQLQIEISA-N 0 3 216.281 0.141 20 0 BCADHN CN(C)C[C@@]1(O)CCCN(C(=O)C2(F)CC2)C1 ZINC000834569911 587759452 /nfs/dbraw/zinc/75/94/52/587759452.db2.gz VXXFHUTZSUUXFN-NSHDSACASA-N 0 3 244.310 0.404 20 0 BCADHN CN(C)C[C@]1(O)CCCN(C(=O)N(C)C)C1 ZINC000834568872 587759473 /nfs/dbraw/zinc/75/94/73/587759473.db2.gz DYSCBTXTNDEUHP-LLVKDONJSA-N 0 3 229.324 0.057 20 0 BCADHN C/C=C(/C)C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000834563735 587759508 /nfs/dbraw/zinc/75/95/08/587759508.db2.gz FSRKDNMATVPHRT-ZRVMKQEGSA-N 0 3 240.347 0.868 20 0 BCADHN CN(C)C[C@@]1(O)CCCN(C(=O)C(C)(C)F)C1 ZINC000834565711 587759553 /nfs/dbraw/zinc/75/95/53/587759553.db2.gz XICVYRHXDMSIDV-LBPRGKRZSA-N 0 3 246.326 0.650 20 0 BCADHN C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000834635873 587762245 /nfs/dbraw/zinc/76/22/45/587762245.db2.gz KTYTVLWBOJAVDP-LDYMZIIASA-N 0 3 249.314 0.702 20 0 BCADHN C[C@@H]([NH3+])CNC(=O)c1ccc(N)cc1[O-] ZINC000834686058 587764116 /nfs/dbraw/zinc/76/41/16/587764116.db2.gz BSADKVAYEIZNLQ-ZCFIWIBFSA-N 0 3 209.249 0.051 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@H]1C[C@H](O)C1)N(C)C ZINC000834762828 587766232 /nfs/dbraw/zinc/76/62/32/587766232.db2.gz IHBJKVQERQHSEG-DCAQKATOSA-N 0 3 228.336 0.460 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](O)C1 ZINC000834773301 587766635 /nfs/dbraw/zinc/76/66/35/587766635.db2.gz GMTFUYJFBCMUPZ-IJLUTSLNSA-N 0 3 240.347 0.748 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc[nH]c1=O ZINC000834796322 587767301 /nfs/dbraw/zinc/76/73/01/587767301.db2.gz KVTUZECYWOZWHW-YUMQZZPRSA-N 0 3 239.250 0.217 20 0 BCADHN C[C@@H](CCC[NH3+])NC(=O)c1ccc(N)cc1[O-] ZINC000834813420 587767500 /nfs/dbraw/zinc/76/75/00/587767500.db2.gz NADKAZAYPZJYGB-QMMMGPOBSA-N 0 3 237.303 0.832 20 0 BCADHN CCN(CCNC(=O)c1ccc[n+]([O-])c1)C1CC1 ZINC000101958367 587785418 /nfs/dbraw/zinc/78/54/18/587785418.db2.gz SCQSQXHYJLAREH-UHFFFAOYSA-N 0 3 249.314 0.534 20 0 BCADHN COCCN(C)CCNC(=O)O[C@H](C)COC ZINC000867146776 587820565 /nfs/dbraw/zinc/82/05/65/587820565.db2.gz ZIOHRPBMYMLFCI-SNVBAGLBSA-N 0 3 248.323 0.326 20 0 BCADHN CCONC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000836195128 587828300 /nfs/dbraw/zinc/82/83/00/587828300.db2.gz HIECOJABEUTKAS-DTWKUNHWSA-N 0 3 213.281 0.283 20 0 BCADHN COCCN(C)CCNC(=O)NOC(C)C ZINC000836283763 587829821 /nfs/dbraw/zinc/82/98/21/587829821.db2.gz NKFNORHFVRKHOB-UHFFFAOYSA-N 0 3 233.312 0.204 20 0 BCADHN C[C@@H](CNC(=O)NCCOC1CCC1)N(C)C ZINC000836331678 587831115 /nfs/dbraw/zinc/83/11/15/587831115.db2.gz XJELIYJYVIDONN-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@H](CNC(=O)NO[C@H]1CCCCO1)N(C)C ZINC000836434616 587833243 /nfs/dbraw/zinc/83/32/43/587833243.db2.gz CATZWDCHZZZUOJ-UWVGGRQHSA-N 0 3 245.323 0.694 20 0 BCADHN C[C@@H](CNC(=O)NO[C@@H]1CCCCO1)N(C)C ZINC000836434618 587833400 /nfs/dbraw/zinc/83/34/00/587833400.db2.gz CATZWDCHZZZUOJ-VHSXEESVSA-N 0 3 245.323 0.694 20 0 BCADHN C[C@@H](CNC(=O)NOC/C=C/Cl)N(C)C ZINC000836467670 587833746 /nfs/dbraw/zinc/83/37/46/587833746.db2.gz KVZNGFSSJBTZIC-ZJELKQJVSA-N 0 3 235.715 0.920 20 0 BCADHN CN(C)CC(C)(C)NC(=O)[C@H](O)C(C)(C)C ZINC000837239501 587860494 /nfs/dbraw/zinc/86/04/94/587860494.db2.gz RZIVDOTXDIBXPE-VIFPVBQESA-N 0 3 230.352 0.850 20 0 BCADHN COC/C=C\C(=O)NCC1=CCN(C)CC1 ZINC000867229752 587867652 /nfs/dbraw/zinc/86/76/52/587867652.db2.gz KNDOPSUZLLJDAM-ARJAWSKDSA-N 0 3 224.304 0.567 20 0 BCADHN COCC[C@@H](C)OC(=O)C1CCCN(C)C1=O ZINC000837957112 587905396 /nfs/dbraw/zinc/90/53/96/587905396.db2.gz BTUMZNOQHHBUTN-NXEZZACHSA-N 0 3 243.303 0.823 20 0 BCADHN CC(C)OCCOC(=O)C1CCCN(C)C1=O ZINC000837953230 587905700 /nfs/dbraw/zinc/90/57/00/587905700.db2.gz FELYGEBCXYORQP-SNVBAGLBSA-N 0 3 243.303 0.823 20 0 BCADHN COC[C@@H](C)OC(=O)C1CCCN(C)C1=O ZINC000837959070 587905912 /nfs/dbraw/zinc/90/59/12/587905912.db2.gz LTEAUKBRZMJHGK-BDAKNGLRSA-N 0 3 229.276 0.433 20 0 BCADHN CC/C=C(\F)C(=O)NCCOCCN(C)C ZINC000867242971 587906125 /nfs/dbraw/zinc/90/61/25/587906125.db2.gz JNWJOBDSLGFGIL-YHYXMXQVSA-N 0 3 232.299 0.944 20 0 BCADHN COCCNC(=O)C1(N[C@@H]2CC[C@H]2C)CC1 ZINC000840822453 587923156 /nfs/dbraw/zinc/92/31/56/587923156.db2.gz NTCWTJZPVWGXNY-NXEZZACHSA-N 0 3 226.320 0.670 20 0 BCADHN CC[C@@H]1OCC[C@H]1NC(=S)NCCN(C)C ZINC000840849519 587925229 /nfs/dbraw/zinc/92/52/29/587925229.db2.gz DCSXRZDLUDSTME-ZJUUUORDSA-N 0 3 245.392 0.580 20 0 BCADHN CN(C)C1(CNC(=O)[C@H]2CSC(=O)N2)CC1 ZINC000841452859 587955443 /nfs/dbraw/zinc/95/54/43/587955443.db2.gz JBFWQMIYJDSXCU-SSDOTTSWSA-N 0 3 243.332 0.022 20 0 BCADHN CC(=O)OC(C)(C)C(=O)NCC1(N(C)C)CC1 ZINC000841455598 587955495 /nfs/dbraw/zinc/95/54/95/587955495.db2.gz VWHSFYAQEGQFDV-UHFFFAOYSA-N 0 3 242.319 0.539 20 0 BCADHN C[C@@H](CO)CN1CCCC2(C1)OCCO2 ZINC000121514719 587972604 /nfs/dbraw/zinc/97/26/04/587972604.db2.gz SNUFNQKIJCUFOS-SNVBAGLBSA-N 0 3 215.293 0.454 20 0 BCADHN Nc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)c([O-])c1 ZINC000841845985 587977458 /nfs/dbraw/zinc/97/74/58/587977458.db2.gz DERKDGHZPSVWIB-SECBINFHSA-N 0 3 235.287 0.456 20 0 BCADHN Nc1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)c([O-])c1 ZINC000841851222 587978454 /nfs/dbraw/zinc/97/84/54/587978454.db2.gz HOKQSZACJPQUAI-SNVBAGLBSA-N 0 3 249.314 0.846 20 0 BCADHN O=C(N1C[C@H]2CCC[C@@H](C1)N2)[C@@]1(F)CCNC1 ZINC000841851554 587978514 /nfs/dbraw/zinc/97/85/14/587978514.db2.gz MKNAVXDBQAQDLH-JFGNBEQYSA-N 0 3 241.310 0.041 20 0 BCADHN CCON(C)C(=O)N[C@H]1CNCCC1(F)F ZINC000842001905 587988356 /nfs/dbraw/zinc/98/83/56/587988356.db2.gz IOZBIIDUJSKSIQ-ZETCQYMHSA-N 0 3 237.250 0.577 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)N1CC=CCC1 ZINC000842006076 587988575 /nfs/dbraw/zinc/98/85/75/587988575.db2.gz VGMAJJCCDNANSO-VIFPVBQESA-N 0 3 245.273 0.955 20 0 BCADHN CC[C@H](COC(=O)C1CCN(C)C1=O)OC ZINC000842093346 587998582 /nfs/dbraw/zinc/99/85/82/587998582.db2.gz OASRRBRTUIAAMH-RKDXNWHRSA-N 0 3 229.276 0.433 20 0 BCADHN CCCCC[C@H](C)NC(=O)C(=O)N(C)CCN ZINC000842221738 588007751 /nfs/dbraw/zinc/00/77/51/588007751.db2.gz WLJMAWCBGDURNH-JTQLQIEISA-N 0 3 243.351 0.489 20 0 BCADHN CN(c1nccc2c1C(=O)OC2(C)C)C1CNC1 ZINC000842300588 588015189 /nfs/dbraw/zinc/01/51/89/588015189.db2.gz MXJJCZKAJDJTKY-UHFFFAOYSA-N 0 3 247.298 0.895 20 0 BCADHN COc1ncncc1CNCC(C)(C)CCO ZINC000842686463 588052127 /nfs/dbraw/zinc/05/21/27/588052127.db2.gz INLAHRZDKXSVPG-UHFFFAOYSA-N 0 3 239.319 0.983 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CCCSC1 ZINC000842768994 588061340 /nfs/dbraw/zinc/06/13/40/588061340.db2.gz HVCCFTKTMWYJFJ-VIFPVBQESA-N 0 3 232.349 0.882 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CCO[C@@H]1C ZINC000842769356 588061361 /nfs/dbraw/zinc/06/13/61/588061361.db2.gz NNVVWDRMWIFCSE-RKDXNWHRSA-N 0 3 216.281 0.163 20 0 BCADHN CCN(OC)C(=O)CN[C@@H](C)COC ZINC000842769194 588061366 /nfs/dbraw/zinc/06/13/66/588061366.db2.gz LMXFOBOPUCVPGD-QMMMGPOBSA-N 0 3 204.270 0.021 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CCO[C@@H](C)C1 ZINC000842768654 588061604 /nfs/dbraw/zinc/06/16/04/588061604.db2.gz CVCLDLYWTLLOBX-UWVGGRQHSA-N 0 3 230.308 0.553 20 0 BCADHN C[C@H](CCO)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000842884842 588070949 /nfs/dbraw/zinc/07/09/49/588070949.db2.gz LCPAJDMRPJHMDP-NXEZZACHSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@H](NCCc1cn(C)nn1)c1ccnn1C ZINC000842895754 588071160 /nfs/dbraw/zinc/07/11/60/588071160.db2.gz VRAJMIYHBJCEQT-VIFPVBQESA-N 0 3 234.307 0.442 20 0 BCADHN C[C@H](NCCc1cn(C)nn1)c1cn[nH]c1 ZINC000842895795 588071190 /nfs/dbraw/zinc/07/11/90/588071190.db2.gz XFNOLLAZDYFRER-QMMMGPOBSA-N 0 3 220.280 0.432 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNCCS(C)(=O)=O ZINC000843074899 588079434 /nfs/dbraw/zinc/07/94/34/588079434.db2.gz PRKSELKBRJZMFM-BDAKNGLRSA-N 0 3 223.338 0.028 20 0 BCADHN Cc1cc(F)ccc1[C@@H](O)CNC(CO)CO ZINC000843059995 588077981 /nfs/dbraw/zinc/07/79/81/588077981.db2.gz QEJVNIAOGXOKAY-LBPRGKRZSA-N 0 3 243.278 0.110 20 0 BCADHN CC(C)C[C@H](O)CNC[C@@H](C)S(C)(=O)=O ZINC000843070358 588079110 /nfs/dbraw/zinc/07/91/10/588079110.db2.gz PEASRTPHYHHJRI-ZJUUUORDSA-N 0 3 237.365 0.416 20 0 BCADHN O[C@H](CNC[C@H](O)C1CC1)c1ccc(F)cn1 ZINC000843070338 588079334 /nfs/dbraw/zinc/07/93/34/588079334.db2.gz ALDFHQSLXOTTBH-NWDGAFQWSA-N 0 3 240.278 0.615 20 0 BCADHN OCC1(CNC[C@H](O)c2ccc(F)cn2)CC1 ZINC000843075402 588079388 /nfs/dbraw/zinc/07/93/88/588079388.db2.gz JXUMZDRFWBMQEW-NSHDSACASA-N 0 3 240.278 0.616 20 0 BCADHN CC[C@H](C)C[C@@H](CO)NCCS(C)(=O)=O ZINC000843076052 588079714 /nfs/dbraw/zinc/07/97/14/588079714.db2.gz DGTIJBQNYHKJCP-UWVGGRQHSA-N 0 3 237.365 0.418 20 0 BCADHN CC[C@H](C)C[C@H](CO)NCCS(C)(=O)=O ZINC000843076053 588079734 /nfs/dbraw/zinc/07/97/34/588079734.db2.gz DGTIJBQNYHKJCP-VHSXEESVSA-N 0 3 237.365 0.418 20 0 BCADHN CCCCCC[C@H](O)CN[C@H](CO)C(=O)NC ZINC000843079073 588079923 /nfs/dbraw/zinc/07/99/23/588079923.db2.gz UIXFXTFFCCLQJO-WDEREUQCSA-N 0 3 246.351 0.014 20 0 BCADHN Cc1ccc([C@@H](O)CNC[C@@](C)(O)CO)cc1 ZINC000843081376 588080219 /nfs/dbraw/zinc/08/02/19/588080219.db2.gz QTENLCJGBVYSQU-QWHCGFSZSA-N 0 3 239.315 0.361 20 0 BCADHN CCOC[C@H](O)CNC[C@@H](O)c1ccc(C)o1 ZINC000843085124 588080509 /nfs/dbraw/zinc/08/05/09/588080509.db2.gz FOHLHMRSNWAAQN-GHMZBOCLSA-N 0 3 243.303 0.608 20 0 BCADHN C[C@H](CCO)NC[C@@H](O)c1ccc(F)cn1 ZINC000843084344 588080741 /nfs/dbraw/zinc/08/07/41/588080741.db2.gz WPUOCRSNOSXXPK-LDYMZIIASA-N 0 3 228.267 0.615 20 0 BCADHN CCc1ccc([C@H](O)CNCCC(N)=O)cc1 ZINC000843096183 588081240 /nfs/dbraw/zinc/08/12/40/588081240.db2.gz XNTNVUNBLYOMKF-GFCCVEGCSA-N 0 3 236.315 0.747 20 0 BCADHN CS(=O)(=O)CCNCC1(CCO)CCC1 ZINC000843102285 588081500 /nfs/dbraw/zinc/08/15/00/588081500.db2.gz VSYROOOAAKQNGF-UHFFFAOYSA-N 0 3 235.349 0.173 20 0 BCADHN CC[C@@H](NCCS(C)(=O)=O)[C@H](O)C(C)C ZINC000843117173 588082853 /nfs/dbraw/zinc/08/28/53/588082853.db2.gz WSAMUZOEDNJCFJ-NXEZZACHSA-N 0 3 237.365 0.416 20 0 BCADHN O[C@H](CN[C@@H]1CC[C@H]1O)c1cccc(F)c1 ZINC000843114458 588083038 /nfs/dbraw/zinc/08/30/38/588083038.db2.gz GQSIYKUIPGSJEZ-IJLUTSLNSA-N 0 3 225.263 0.972 20 0 BCADHN CC[C@@H](NCCS(C)(=O)=O)[C@@H](O)C(C)C ZINC000843117176 588083063 /nfs/dbraw/zinc/08/30/63/588083063.db2.gz WSAMUZOEDNJCFJ-ZJUUUORDSA-N 0 3 237.365 0.416 20 0 BCADHN Cc1cnc(CN2CCNC[C@H]2C(F)F)cn1 ZINC000843124551 588083601 /nfs/dbraw/zinc/08/36/01/588083601.db2.gz HMSNDNHFGQPPDO-JTQLQIEISA-N 0 3 242.273 0.824 20 0 BCADHN F[C@@]1(c2nc(Cn3cccn3)no2)CCNC1 ZINC000843177644 588089330 /nfs/dbraw/zinc/08/93/30/588089330.db2.gz CFUJMUSPRZZXFL-JTQLQIEISA-N 0 3 237.238 0.473 20 0 BCADHN CC(C)(CN)c1nc(Cc2ccon2)no1 ZINC000843188189 588091006 /nfs/dbraw/zinc/09/10/06/588091006.db2.gz QNNIKQMFICRRLP-UHFFFAOYSA-N 0 3 222.248 0.885 20 0 BCADHN Cc1cncnc1-c1noc([C@@]2(F)CCNC2)n1 ZINC000843190209 588091796 /nfs/dbraw/zinc/09/17/96/588091796.db2.gz XWIOAQYRJMRUMO-LLVKDONJSA-N 0 3 249.249 0.993 20 0 BCADHN COCCOCc1noc([C@]2(F)CCNC2)n1 ZINC000843191692 588091908 /nfs/dbraw/zinc/09/19/08/588091908.db2.gz OUEJQQITSRAUQU-JTQLQIEISA-N 0 3 245.254 0.391 20 0 BCADHN Cc1ncc(-c2noc(C(C)(C)CN)n2)c(N)n1 ZINC000843219079 588093840 /nfs/dbraw/zinc/09/38/40/588093840.db2.gz STBGZUMMNZKLAP-UHFFFAOYSA-N 0 3 248.290 0.654 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)[C@H]1CCCOC1 ZINC000843431158 588106471 /nfs/dbraw/zinc/10/64/71/588106471.db2.gz XONMWZIWMLXVOE-MNOVXSKESA-N 0 3 244.335 0.801 20 0 BCADHN CCCN(Cc1cnn(C)n1)[C@@H]1CCN(C)C1 ZINC000843422620 588107775 /nfs/dbraw/zinc/10/77/75/588107775.db2.gz PAGCPGWXOYGFLY-GFCCVEGCSA-N 0 3 237.351 0.731 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CCOC[C@@H]1C ZINC000843431175 588108962 /nfs/dbraw/zinc/10/89/62/588108962.db2.gz XSVJUCVKSJQURK-UWVGGRQHSA-N 0 3 230.308 0.411 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CCOC[C@H]1C ZINC000843431177 588109263 /nfs/dbraw/zinc/10/92/63/588109263.db2.gz 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CCN1C[C@@H](CN2CCCN(C)CC2)OC1=O ZINC000846768755 588287060 /nfs/dbraw/zinc/28/70/60/588287060.db2.gz REJLZEAKZWRTIE-LLVKDONJSA-N 0 3 241.335 0.465 20 0 BCADHN CN(C)C1(CNC(=O)OC[C@@H]2CCCO2)CC1 ZINC000867438913 588288191 /nfs/dbraw/zinc/28/81/91/588288191.db2.gz LUOVORYQVUVRAO-JTQLQIEISA-N 0 3 242.319 0.986 20 0 BCADHN CCN1C[C@@H](CN2CC[C@@H](COC)C2)OC1=O ZINC000846808077 588290115 /nfs/dbraw/zinc/29/01/15/588290115.db2.gz VHWKJHKCZLFJMU-GHMZBOCLSA-N 0 3 242.319 0.795 20 0 BCADHN COCCCN(C)C(=O)NCC1(N(C)C)CC1 ZINC000867439411 588290762 /nfs/dbraw/zinc/29/07/62/588290762.db2.gz RRHUUZPVMDQSJM-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN C[C@@H]1COCCN(CCCC(=O)N(C)C)C1 ZINC000846835244 588291703 /nfs/dbraw/zinc/29/17/03/588291703.db2.gz WOVIUEKGSNQYEI-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN O[C@@H](CN1CCN(c2ncc[nH]2)CC1)C1CC1 ZINC000846876355 588295006 /nfs/dbraw/zinc/29/50/06/588295006.db2.gz QMEOORZEITWFRZ-NSHDSACASA-N 0 3 236.319 0.303 20 0 BCADHN CN1CCN(CC2OCCO2)CC1(C)C ZINC000846888215 588295474 /nfs/dbraw/zinc/29/54/74/588295474.db2.gz IAQZIBNYXSWHML-UHFFFAOYSA-N 0 3 214.309 0.385 20 0 BCADHN CCN1C[C@H](CN(C)[C@@H]2CCCOC2)OC1=O ZINC000846902405 588296328 /nfs/dbraw/zinc/29/63/28/588296328.db2.gz SHBGWZUCKDODOC-MNOVXSKESA-N 0 3 242.319 0.938 20 0 BCADHN CON1CCN(C[C@@H]2CCNC(=O)CC2)CC1 ZINC000846972879 588299129 /nfs/dbraw/zinc/29/91/29/588299129.db2.gz TYHJGSJEDZYEQD-NSHDSACASA-N 0 3 241.335 0.082 20 0 BCADHN CC[C@@H](CO)C(=O)N1CCCN(C)C[C@@H]1CC ZINC000846988569 588300751 /nfs/dbraw/zinc/30/07/51/588300751.db2.gz MTIFYQPVHPMBME-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)C(=O)CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000847049725 588304866 /nfs/dbraw/zinc/30/48/66/588304866.db2.gz QVKOMRKSDZNBQP-NWDGAFQWSA-N 0 3 240.347 0.352 20 0 BCADHN CC[C@H](NCC(=O)N(C)OC)[C@H]1CCCCO1 ZINC000847075218 588305853 /nfs/dbraw/zinc/30/58/53/588305853.db2.gz BFCLBZVVPDNIHT-WDEREUQCSA-N 0 3 244.335 0.944 20 0 BCADHN CCCCOC(=O)CNC(=O)CN(C)C(C)C ZINC000106826302 588312092 /nfs/dbraw/zinc/31/20/92/588312092.db2.gz RCDPJJAIFVWQPJ-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN CCCCOC(=O)CNC(=O)CN(CC)CC ZINC000106827808 588312160 /nfs/dbraw/zinc/31/21/60/588312160.db2.gz YXJMJGFXPATWPI-UHFFFAOYSA-N 0 3 244.335 0.788 20 0 BCADHN CCO/C=C\C(=O)N[C@H]1CCCN(C)C1 ZINC000847448338 588313494 /nfs/dbraw/zinc/31/34/94/588313494.db2.gz OOQTUBQQWTZDLW-ZEBCKKTISA-N 0 3 212.293 0.747 20 0 BCADHN O=C([O-])CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000107214405 588342607 /nfs/dbraw/zinc/34/26/07/588342607.db2.gz GFZUBFWZLMJRKB-SNVBAGLBSA-N 0 3 212.293 0.489 20 0 BCADHN O=C([O-])C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000107214405 588342608 /nfs/dbraw/zinc/34/26/08/588342608.db2.gz GFZUBFWZLMJRKB-SNVBAGLBSA-N 0 3 212.293 0.489 20 0 BCADHN O=C([O-])C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000107214405 588342611 /nfs/dbraw/zinc/34/26/11/588342611.db2.gz GFZUBFWZLMJRKB-SNVBAGLBSA-N 0 3 212.293 0.489 20 0 BCADHN CCO/C=C\C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000848120951 588358622 /nfs/dbraw/zinc/35/86/22/588358622.db2.gz SSAQCPJNEGWRJR-PYIHCCSZSA-N 0 3 224.304 0.699 20 0 BCADHN COc1ccc(C(=O)NOCCN(C)C)o1 ZINC000848160341 588362814 /nfs/dbraw/zinc/36/28/14/588362814.db2.gz UBYCQWLTTVGNEY-UHFFFAOYSA-N 0 3 228.248 0.511 20 0 BCADHN CC(C)=C(C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848305507 588371855 /nfs/dbraw/zinc/37/18/55/588371855.db2.gz BXLGTCGYJZBBEF-NWDGAFQWSA-N 0 3 238.331 0.620 20 0 BCADHN CCCCC[C@@H](NC(=O)[C@H](C)NC)C(=O)OC ZINC000848402460 588377944 /nfs/dbraw/zinc/37/79/44/588377944.db2.gz AULAVXGEYHVMMV-VHSXEESVSA-N 0 3 244.335 0.832 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000848431218 588384264 /nfs/dbraw/zinc/38/42/64/588384264.db2.gz UKHVGBIEISHPCL-GZMMTYOYSA-N 0 3 242.344 0.680 20 0 BCADHN COC[C@@H](CC(C)(C)C)NC(=O)[C@@H]1C[C@@H]1N ZINC000848434393 588384565 /nfs/dbraw/zinc/38/45/65/588384565.db2.gz JMNQEMOBBSRJIJ-BBBLOLIVSA-N 0 3 228.336 0.901 20 0 BCADHN CCCCOC(=O)C(C)(C)NC(=O)[C@@H](N)CC ZINC000848437982 588384623 /nfs/dbraw/zinc/38/46/23/588384623.db2.gz YAXJFHKWTOSLSA-VIFPVBQESA-N 0 3 244.335 0.962 20 0 BCADHN CCCCOC(=O)C(C)(C)NC(=O)[C@H](C)NC ZINC000848437411 588384918 /nfs/dbraw/zinc/38/49/18/588384918.db2.gz OWKCQQQJFNZWAY-VIFPVBQESA-N 0 3 244.335 0.832 20 0 BCADHN CO[C@H](C)CC(=O)N[C@@H](CN)C(F)(F)F ZINC000848438872 588385075 /nfs/dbraw/zinc/38/50/75/588385075.db2.gz MCBQPIXQVIAGIT-RITPCOANSA-N 0 3 228.214 0.417 20 0 BCADHN CO[C@H](C)CC(=O)N[C@H](CN)C(F)(F)F ZINC000848438871 588385095 /nfs/dbraw/zinc/38/50/95/588385095.db2.gz MCBQPIXQVIAGIT-PHDIDXHHSA-N 0 3 228.214 0.417 20 0 BCADHN Cn1c(Cl)ncc1CNCCC[S@@](C)=O ZINC000848537666 588394647 /nfs/dbraw/zinc/39/46/47/588394647.db2.gz LEQBPBCHSCMEDA-OAHLLOKOSA-N 0 3 249.767 0.932 20 0 BCADHN Cn1c(Cl)ncc1CN[C@H](CO)CCF ZINC000848557440 588397122 /nfs/dbraw/zinc/39/71/22/588397122.db2.gz HXERJJKFJQZNKZ-ZETCQYMHSA-N 0 3 235.690 0.884 20 0 BCADHN CO[C@H](C)[C@H](C)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848568960 588398360 /nfs/dbraw/zinc/39/83/60/588398360.db2.gz BKDUGDHNONPJMG-IQJOONFLSA-N 0 3 242.319 0.983 20 0 BCADHN C[C@@H]1OCC[C@@H]1NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848572821 588398853 /nfs/dbraw/zinc/39/88/53/588398853.db2.gz WCEIKIQMCLYEFM-LSJOCFKGSA-N 0 3 240.303 0.737 20 0 BCADHN O=C1O[C@H](CN[C@@H]2CCOC2)CN1C1CC1 ZINC000848570726 588398923 /nfs/dbraw/zinc/39/89/23/588398923.db2.gz MQLVSPKAKWKNLJ-PSASIEDQSA-N 0 3 226.276 0.348 20 0 BCADHN CC[C@@H](COC)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848572585 588399116 /nfs/dbraw/zinc/39/91/16/588399116.db2.gz UQJFPZSANKYJPT-ONGXEEELSA-N 0 3 242.319 0.984 20 0 BCADHN C[C@@H]1OCC[C@H]1NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848572819 588399197 /nfs/dbraw/zinc/39/91/97/588399197.db2.gz WCEIKIQMCLYEFM-INTQDDNPSA-N 0 3 240.303 0.737 20 0 BCADHN C[C@@H]1C[C@@H](NC[C@H]2CN(C3CC3)C(=O)O2)CO1 ZINC000848574883 588399230 /nfs/dbraw/zinc/39/92/30/588399230.db2.gz XMEIUYCBFUERQL-KKZNHRDASA-N 0 3 240.303 0.737 20 0 BCADHN NC[C@@H](NC(=O)NOC1CCC1)C(F)(F)F ZINC000848599379 588401267 /nfs/dbraw/zinc/40/12/67/588401267.db2.gz YWGHPDIKEHCDEN-ZCFIWIBFSA-N 0 3 241.213 0.659 20 0 BCADHN O=C1O[C@H](CNC2CSC2)CN1C1CC1 ZINC000848928697 588421893 /nfs/dbraw/zinc/42/18/93/588421893.db2.gz KYPLDDKCERKLMJ-SECBINFHSA-N 0 3 228.317 0.675 20 0 BCADHN COc1cccc(-c2cn(CCN(C)C)nn2)n1 ZINC000849136564 588453939 /nfs/dbraw/zinc/45/39/39/588453939.db2.gz JTPXGTMLOUXRDM-UHFFFAOYSA-N 0 3 247.302 0.910 20 0 BCADHN CN(C)CCn1cc(Cn2ccnc2)nn1 ZINC000849138014 588454302 /nfs/dbraw/zinc/45/43/02/588454302.db2.gz WBZRYEQHEBCBBU-UHFFFAOYSA-N 0 3 220.280 0.085 20 0 BCADHN COC(=O)CCCn1cc([C@@H](C)N)nn1 ZINC000849143138 588454980 /nfs/dbraw/zinc/45/49/80/588454980.db2.gz JNLSOBKIOBXHLR-SSDOTTSWSA-N 0 3 212.253 0.251 20 0 BCADHN CCOC(=O)[C@H](C)n1cc([C@@H](C)N)nn1 ZINC000849144218 588455204 /nfs/dbraw/zinc/45/52/04/588455204.db2.gz VTMZNBMSCWTENJ-RQJHMYQMSA-N 0 3 212.253 0.422 20 0 BCADHN C[C@@H](N)c1cn(C[C@H](O)Cc2ccccc2)nn1 ZINC000849148817 588455993 /nfs/dbraw/zinc/45/59/93/588455993.db2.gz UIAAOCWNYQKGEY-ZYHUDNBSSA-N 0 3 246.314 0.901 20 0 BCADHN CCC1(Cn2cc([C@H](C)N)nn2)COC1 ZINC000849154573 588456874 /nfs/dbraw/zinc/45/68/74/588456874.db2.gz WXXGHZRUXOUJGR-QMMMGPOBSA-N 0 3 210.281 0.724 20 0 BCADHN Fc1ccc(OC[C@@H]2CNCCO2)cn1 ZINC000849240114 588464160 /nfs/dbraw/zinc/46/41/60/588464160.db2.gz FTTQWHIKZUXNJL-VIFPVBQESA-N 0 3 212.224 0.588 20 0 BCADHN CN1CC[C@H](NC(=S)NCC2CC2)C1 ZINC000849254923 588465172 /nfs/dbraw/zinc/46/51/72/588465172.db2.gz QOQIWHYBIZHFFD-VIFPVBQESA-N 0 3 213.350 0.565 20 0 BCADHN CN1CCC(NC(=S)NC/C=C\CO)CC1 ZINC000849279153 588469233 /nfs/dbraw/zinc/46/92/33/588469233.db2.gz KOYOCYSRPXVKKP-IHWYPQMZSA-N 0 3 243.376 0.093 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)NCC(F)F)[C@@H]2C1 ZINC000849333369 588473357 /nfs/dbraw/zinc/47/33/57/588473357.db2.gz NQXDCQOSROFNKT-JGVFFNPUSA-N 0 3 233.262 0.597 20 0 BCADHN C[C@H](O)CCOC(=O)C1CCCN(C)C1=O ZINC000849790839 588499428 /nfs/dbraw/zinc/49/94/28/588499428.db2.gz BISXJYNKLKVUQW-DTWKUNHWSA-N 0 3 229.276 0.169 20 0 BCADHN CN1CC[C@H](NCc2cc3n(n2)CCC3)C1 ZINC000850117897 588521046 /nfs/dbraw/zinc/52/10/46/588521046.db2.gz ANDGDNFNACWBCX-JTQLQIEISA-N 0 3 220.320 0.623 20 0 BCADHN Cc1ncc(CN[C@@](C)(CO)C2CC2)n1C ZINC000850180662 588524628 /nfs/dbraw/zinc/52/46/28/588524628.db2.gz BOUDRLAJIGAYRU-LBPRGKRZSA-N 0 3 223.320 0.979 20 0 BCADHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NCC1(C)OCCO1 ZINC000850234206 588530803 /nfs/dbraw/zinc/53/08/03/588530803.db2.gz RMJTXIUCVSOPQS-LPEHRKFASA-N 0 3 243.303 0.537 20 0 BCADHN COc1cncc(CN[C@H]2C[C@@H](O)C2)c1 ZINC000850322459 588536830 /nfs/dbraw/zinc/53/68/30/588536830.db2.gz WBZLHGUJORHVTC-AOOOYVTPSA-N 0 3 208.261 0.703 20 0 BCADHN CC[C@H]1C[C@H](NCCS(=O)(=O)C2CC2)CO1 ZINC000850326494 588536877 /nfs/dbraw/zinc/53/68/77/588536877.db2.gz OPYDSEYINIBGEI-UWVGGRQHSA-N 0 3 247.360 0.721 20 0 BCADHN O=[S@@](CCN[C@@H]1CCOC1)CC(F)(F)F ZINC000850348497 588537856 /nfs/dbraw/zinc/53/78/56/588537856.db2.gz NLRAVUIUIKJNOL-MLXNANBUSA-N 0 3 245.266 0.676 20 0 BCADHN O=S(=O)(CCNCC1CC1)CC(F)(F)F ZINC000850364278 588540468 /nfs/dbraw/zinc/54/04/68/588540468.db2.gz YAMYBLLCDZVYSI-UHFFFAOYSA-N 0 3 245.266 0.963 20 0 BCADHN CC[C@H]1COC[C@@H]1NCc1cnnn1CC ZINC000850383664 588542648 /nfs/dbraw/zinc/54/26/48/588542648.db2.gz SDUYQPUSMAJVKJ-ONGXEEELSA-N 0 3 224.308 0.813 20 0 BCADHN O[C@@H]1C[C@@H](NCc2cncnc2)C12CCC2 ZINC000850389109 588543500 /nfs/dbraw/zinc/54/35/00/588543500.db2.gz TUNJSLMJYULBHB-GHMZBOCLSA-N 0 3 219.288 0.870 20 0 BCADHN CON(C)CCN[C@@H](C)c1cncnc1C ZINC000850477958 588549617 /nfs/dbraw/zinc/54/96/17/588549617.db2.gz MBTYHDNKXXCWGT-VIFPVBQESA-N 0 3 224.308 0.929 20 0 BCADHN CCCN(C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000850593558 588562259 /nfs/dbraw/zinc/56/22/59/588562259.db2.gz VYVOJKRNZHDXFH-RKDXNWHRSA-N 0 3 217.288 0.819 20 0 BCADHN COC(=O)CC(C)(C)NC(=O)CNC(C)C ZINC000851627630 588611680 /nfs/dbraw/zinc/61/16/80/588611680.db2.gz RJWOGKQLHPEWMW-UHFFFAOYSA-N 0 3 230.308 0.442 20 0 BCADHN CCNCC(=O)N[C@H](COC)C1CCOCC1 ZINC000851641582 588612480 /nfs/dbraw/zinc/61/24/80/588612480.db2.gz NGGWHDGWCIPHIE-LLVKDONJSA-N 0 3 244.335 0.154 20 0 BCADHN Nc1cccc(CNC(=O)[C@H]2C[C@H]2N)c1 ZINC000851640525 588612553 /nfs/dbraw/zinc/61/25/53/588612553.db2.gz XGUGGWKFWIZELQ-VHSXEESVSA-N 0 3 205.261 0.232 20 0 BCADHN CC[C@@H](COCC1CC1)NC(=O)[C@@H]1C[C@@H]1N ZINC000851642269 588612819 /nfs/dbraw/zinc/61/28/19/588612819.db2.gz XHSLHSYQAUEMFB-AXFHLTTASA-N 0 3 226.320 0.655 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000851644383 588612964 /nfs/dbraw/zinc/61/29/64/588612964.db2.gz PEVRCUOVSIACPY-WHQQTDPMSA-N 0 3 246.257 0.264 20 0 BCADHN N[C@@H]1CN(C(=O)C=C2CCC2)CC[C@H]1F ZINC000851649419 588613131 /nfs/dbraw/zinc/61/31/31/588613131.db2.gz YOBHVUNOVWNXSR-NXEZZACHSA-N 0 3 212.268 0.994 20 0 BCADHN CC(C)OCCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851658069 588613357 /nfs/dbraw/zinc/61/33/57/588613357.db2.gz BZVZGKUYZVJMHX-NXEZZACHSA-N 0 3 247.314 0.492 20 0 BCADHN COCCN(CCOC)C[C@@H]1COC(C)(C)O1 ZINC000851715372 588616073 /nfs/dbraw/zinc/61/60/73/588616073.db2.gz RSFJJSTUVSBWQS-LLVKDONJSA-N 0 3 247.335 0.733 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@@H]2CCC(=O)O2)C1 ZINC000851731139 588619294 /nfs/dbraw/zinc/61/92/94/588619294.db2.gz XOSTVJNYZMJTPK-BDAKNGLRSA-N 0 3 227.260 0.187 20 0 BCADHN COC(=O)[C@H]1CCN(C[C@@H]2COC(C)(C)O2)C1 ZINC000851731098 588619588 /nfs/dbraw/zinc/61/95/88/588619588.db2.gz WRVGZZKZVZWQIF-VHSXEESVSA-N 0 3 243.303 0.633 20 0 BCADHN CC(C)N(CCO)C[C@@H](O)c1ccccn1 ZINC000851733922 588619950 /nfs/dbraw/zinc/61/99/50/588619950.db2.gz KAQJOPCLHJHXRG-GFCCVEGCSA-N 0 3 224.304 0.818 20 0 BCADHN COCCN(C)C[C@H]1COC(C)(C)O1 ZINC000851732836 588619958 /nfs/dbraw/zinc/61/99/58/588619958.db2.gz DEHVWQCYCPYABM-VIFPVBQESA-N 0 3 203.282 0.716 20 0 BCADHN OCCN(C[C@@H](O)c1ccccn1)CC1CC1 ZINC000851734146 588619995 /nfs/dbraw/zinc/61/99/95/588619995.db2.gz BMVAJVNHFKQAKS-CYBMUJFWSA-N 0 3 236.315 0.819 20 0 BCADHN COCCN(CCO)CC[C@H]1COC(C)(C)O1 ZINC000851748271 588622508 /nfs/dbraw/zinc/62/25/08/588622508.db2.gz PJTCUWPMDFQPHN-NSHDSACASA-N 0 3 247.335 0.469 20 0 BCADHN COCCN(CCO)C[C@@H]1COC(C)(C)O1 ZINC000851748582 588622755 /nfs/dbraw/zinc/62/27/55/588622755.db2.gz SZMBODNLNSMQBI-SNVBAGLBSA-N 0 3 233.308 0.079 20 0 BCADHN CN(CCOC(F)F)CCN1CCOCC1 ZINC000851750307 588623008 /nfs/dbraw/zinc/62/30/08/588623008.db2.gz CVYPMHMTOSUNSL-UHFFFAOYSA-N 0 3 238.278 0.490 20 0 BCADHN NC(=O)C[C@@H]1CCCCN1CCOC(F)F ZINC000851750865 588623054 /nfs/dbraw/zinc/62/30/54/588623054.db2.gz GNRGNQKYKVLICB-QMMMGPOBSA-N 0 3 236.262 0.956 20 0 BCADHN C[C@@H]1CC[C@H](C(N)=O)CN1CCOC(F)F ZINC000851750476 588623156 /nfs/dbraw/zinc/62/31/56/588623156.db2.gz BRZBWUYOBQBSQD-SFYZADRCSA-N 0 3 236.262 0.811 20 0 BCADHN C[C@H]1CC[C@H](C(N)=O)CN1CCOC(F)F ZINC000851750477 588623176 /nfs/dbraw/zinc/62/31/76/588623176.db2.gz BRZBWUYOBQBSQD-YUMQZZPRSA-N 0 3 236.262 0.811 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCN(C[C@@H](C)O)CC2)C1 ZINC000851750848 588623351 /nfs/dbraw/zinc/62/33/51/588623351.db2.gz LAZAZBLDBGKNNM-FRRDWIJNSA-N 0 3 242.363 0.552 20 0 BCADHN O=C1CC[C@H](CN2CCC[C@H](CCO)C2)O1 ZINC000851752290 588623469 /nfs/dbraw/zinc/62/34/69/588623469.db2.gz FXIIUCUMCVQMPT-GHMZBOCLSA-N 0 3 227.304 0.786 20 0 BCADHN O[C@H](CN1CC[C@H](O)C1)c1ccccn1 ZINC000851752037 588623812 /nfs/dbraw/zinc/62/38/12/588623812.db2.gz XFGJGCQXEDWTOD-GXSJLCMTSA-N 0 3 208.261 0.182 20 0 BCADHN CN(Cc1cnon1)[C@H]1CCN(C2CC2)C1 ZINC000851769388 588625711 /nfs/dbraw/zinc/62/57/11/588625711.db2.gz SOEILAIDZMTPPQ-NSHDSACASA-N 0 3 222.292 0.738 20 0 BCADHN C[C@@H](O)CCN(C)C[C@H]1COC(C)(C)O1 ZINC000851786099 588626162 /nfs/dbraw/zinc/62/61/62/588626162.db2.gz XHTMCRWUKSSGCZ-ZJUUUORDSA-N 0 3 217.309 0.841 20 0 BCADHN C[C@H](O)CCN(C)C[C@@H](O)c1ccccn1 ZINC000851785516 588628359 /nfs/dbraw/zinc/62/83/59/588628359.db2.gz SXZSRYLJKUTXEU-CMPLNLGQSA-N 0 3 224.304 0.818 20 0 BCADHN CO[C@@H]1CCN(C[C@@H](O)c2ccccn2)C1 ZINC000851800683 588630555 /nfs/dbraw/zinc/63/05/55/588630555.db2.gz OSSPDSVZDUAHLU-ZYHUDNBSSA-N 0 3 222.288 0.836 20 0 BCADHN CN(C[C@@H](O)C1CC1)C[C@H]1CCC(=O)O1 ZINC000851803077 588631351 /nfs/dbraw/zinc/63/13/51/588631351.db2.gz OJELSHFGWJFSKQ-NXEZZACHSA-N 0 3 213.277 0.395 20 0 BCADHN NC(=O)C1(NCCO[C@@H]2CC2(F)F)CCCC1 ZINC000851847257 588634847 /nfs/dbraw/zinc/63/48/47/588634847.db2.gz RPOOMSOTNXKUJE-MRVPVSSYSA-N 0 3 248.273 0.798 20 0 BCADHN C[C@H](O)[C@H]1CCCN(C[C@H]2CCC(=O)O2)C1 ZINC000851860255 588635764 /nfs/dbraw/zinc/63/57/64/588635764.db2.gz HQQNHAHYEBFZIH-GARJFASQSA-N 0 3 227.304 0.785 20 0 BCADHN C[C@H](CO)N(C)C[C@H]1COC(C)(C)O1 ZINC000851866207 588637009 /nfs/dbraw/zinc/63/70/09/588637009.db2.gz KABZBIWGNFUCLS-BDAKNGLRSA-N 0 3 203.282 0.451 20 0 BCADHN C[C@@H]1CN(C[C@H]2COC(C)(C)O2)CCN1C ZINC000851877751 588638735 /nfs/dbraw/zinc/63/87/35/588638735.db2.gz QKKZQVHIXBJPNS-MNOVXSKESA-N 0 3 228.336 0.774 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@H]1O ZINC000851878659 588638988 /nfs/dbraw/zinc/63/89/88/588638988.db2.gz FCPMAECPFGUSJO-KXUCPTDWSA-N 0 3 213.277 0.395 20 0 BCADHN CC[C@@H]1CN(CCOC(F)F)C[C@@H]1O ZINC000851880955 588639430 /nfs/dbraw/zinc/63/94/30/588639430.db2.gz VGDOVXMWQQXSNM-SFYZADRCSA-N 0 3 209.236 0.928 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C[C@@H]1COC(C)(C)O1 ZINC000851882139 588639649 /nfs/dbraw/zinc/63/96/49/588639649.db2.gz SWTUURXEJKIVRV-OPRDCNLKSA-N 0 3 215.293 0.593 20 0 BCADHN CN1CCN(C[C@@H]2CCC(=O)O2)C(C)(C)C1 ZINC000851885087 588639987 /nfs/dbraw/zinc/63/99/87/588639987.db2.gz HJNISNULZIZNGZ-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN CC1(C)OC[C@H](CN2CCC[C@@](C)(O)C2)O1 ZINC000851884756 588639990 /nfs/dbraw/zinc/63/99/90/588639990.db2.gz FRDMSHNJNGNVRP-CMPLNLGQSA-N 0 3 229.320 0.985 20 0 BCADHN CCN1C[C@@H](C)N(Cc2cnon2)C[C@@H]1C ZINC000851883727 588640059 /nfs/dbraw/zinc/64/00/59/588640059.db2.gz IXEFOMHKINPLQG-VHSXEESVSA-N 0 3 224.308 0.984 20 0 BCADHN COCCCOCCN(C)C[C@@H]1CCC(=O)O1 ZINC000851892346 588641370 /nfs/dbraw/zinc/64/13/70/588641370.db2.gz LWXQZMNVBOLISC-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NOCC)C1 ZINC000851920487 588643910 /nfs/dbraw/zinc/64/39/10/588643910.db2.gz PIZQZQNKHFGWFN-SECBINFHSA-N 0 3 215.297 0.721 20 0 BCADHN C[C@@H]1CN(C[C@H](O)c2ccccn2)CC[C@H]1O ZINC000851956001 588647373 /nfs/dbraw/zinc/64/73/73/588647373.db2.gz ALYBMZZZASDKRY-RTXFEEFZSA-N 0 3 236.315 0.818 20 0 BCADHN C[C@@H]1CN(C[C@@H]2COC(C)(C)O2)CC[C@@H]1O ZINC000851957054 588647728 /nfs/dbraw/zinc/64/77/28/588647728.db2.gz LBCWCUZVBVWSFP-MXWKQRLJSA-N 0 3 229.320 0.841 20 0 BCADHN C[C@@H]1CN(CCOC(F)F)CC[C@@H]1O ZINC000851958121 588647961 /nfs/dbraw/zinc/64/79/61/588647961.db2.gz XKWYWVHOQSSFAJ-SFYZADRCSA-N 0 3 209.236 0.928 20 0 BCADHN COCCO[C@@H]1CCN(C[C@H]2CCC(=O)O2)C1 ZINC000851965884 588648536 /nfs/dbraw/zinc/64/85/36/588648536.db2.gz WTIRPLKRCXFFFO-GHMZBOCLSA-N 0 3 243.303 0.429 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@H]2CCC(=O)O2)[C@H]1C ZINC000851974969 588650198 /nfs/dbraw/zinc/65/01/98/588650198.db2.gz MRXBILJOKQQBTL-IVZWLZJFSA-N 0 3 241.287 0.575 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@@H]1OC ZINC000851982645 588651481 /nfs/dbraw/zinc/65/14/81/588651481.db2.gz KBNPHBWYEIXWMF-LPEHRKFASA-N 0 3 229.276 0.038 20 0 BCADHN COC[C@@H](C)NC[C@H](O)c1ccccn1 ZINC000852019231 588655822 /nfs/dbraw/zinc/65/58/22/588655822.db2.gz VVQOQWOTRSFAON-KOLCDFICSA-N 0 3 210.277 0.740 20 0 BCADHN COCCOCCN(C)CCOC(F)F ZINC000852054134 588657926 /nfs/dbraw/zinc/65/79/26/588657926.db2.gz QEKXIBMLBWPPBQ-UHFFFAOYSA-N 0 3 227.251 0.820 20 0 BCADHN CC1(C)[C@H](O)CCN1C[C@H](O)c1ccccn1 ZINC000852069495 588658925 /nfs/dbraw/zinc/65/89/25/588658925.db2.gz FBUCUICJZQTLMF-NWDGAFQWSA-N 0 3 236.315 0.960 20 0 BCADHN CC(C)[C@@H](O)CN1CCCN(C=O)CC1 ZINC000852072642 588659205 /nfs/dbraw/zinc/65/92/05/588659205.db2.gz FSLZANWMLQVJCY-NSHDSACASA-N 0 3 214.309 0.167 20 0 BCADHN CCN(C[C@H]1CCC(=O)O1)[C@H]1CCOC1 ZINC000852071185 588659389 /nfs/dbraw/zinc/65/93/89/588659389.db2.gz ZFTXIFJNDXKVAE-VHSXEESVSA-N 0 3 213.277 0.803 20 0 BCADHN OC[C@H]1[C@@H]2CN(CCOC(F)F)C[C@H]12 ZINC000852075475 588659745 /nfs/dbraw/zinc/65/97/45/588659745.db2.gz KRYGQPBTWATDDA-JIGDXULJSA-N 0 3 207.220 0.396 20 0 BCADHN CC1(CN2CCCN(C=O)CC2)COC1 ZINC000852073755 588659832 /nfs/dbraw/zinc/65/98/32/588659832.db2.gz YMFKTJMDXQQWHF-UHFFFAOYSA-N 0 3 212.293 0.187 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(C[C@H]3CCC(=O)O3)C[C@@H]21 ZINC000852076049 588659921 /nfs/dbraw/zinc/65/99/21/588659921.db2.gz PSDLIFQQNOXKPH-REIXXSIJSA-N 0 3 239.271 0.043 20 0 BCADHN CCCN(CC[C@H]1COC(C)(C)O1)CC(N)=O ZINC000852080286 588660555 /nfs/dbraw/zinc/66/05/55/588660555.db2.gz WKHAVAQWEGUNNB-JTQLQIEISA-N 0 3 244.335 0.725 20 0 BCADHN CC[C@H](CO)N(C)C[C@@H]1COC(C)(C)O1 ZINC000852096330 588661652 /nfs/dbraw/zinc/66/16/52/588661652.db2.gz AKTDQCNCCPUJON-NXEZZACHSA-N 0 3 217.309 0.841 20 0 BCADHN CN(CC[C@@H]1COC(C)(C)O1)C(C)(C)C(N)=O ZINC000852097153 588662171 /nfs/dbraw/zinc/66/21/71/588662171.db2.gz RRYGDICAQQTMQH-SECBINFHSA-N 0 3 244.335 0.724 20 0 BCADHN CN(C)C(=O)O[C@H]1CCN(CC2(C)COC2)C1 ZINC000852111814 588664441 /nfs/dbraw/zinc/66/44/41/588664441.db2.gz KIXGHHBTMOGLAN-JTQLQIEISA-N 0 3 242.319 0.795 20 0 BCADHN CON(C)C(=O)CNC1(CCO)CCCC1 ZINC000852119702 588665047 /nfs/dbraw/zinc/66/50/47/588665047.db2.gz FKHRTGUQQWEEDP-UHFFFAOYSA-N 0 3 230.308 0.291 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1NC[C@H](O)c1ccccn1 ZINC000852124684 588665742 /nfs/dbraw/zinc/66/57/42/588665742.db2.gz BTJCFLOYPDRMMD-SDDRHHMPSA-N 0 3 236.315 0.864 20 0 BCADHN CN1CC[C@@H]2CN(C[C@@H](O)c3ccccn3)C[C@@H]21 ZINC000852137136 588666163 /nfs/dbraw/zinc/66/61/63/588666163.db2.gz VAWHDYLJIABSPW-KWCYVHTRSA-N 0 3 247.342 0.751 20 0 BCADHN CC[C@H](C)N1CCN(Cc2cnon2)CC1 ZINC000852140475 588666613 /nfs/dbraw/zinc/66/66/13/588666613.db2.gz JAJFIQQZNFXXQU-JTQLQIEISA-N 0 3 224.308 0.986 20 0 BCADHN C[C@@H]1C[C@H](O)CN(C[C@H]2CCC(=O)O2)C1 ZINC000852148769 588667005 /nfs/dbraw/zinc/66/70/05/588667005.db2.gz AFTXFCOVZLAKKB-KXUCPTDWSA-N 0 3 213.277 0.395 20 0 BCADHN CN(C)C(=O)[C@@H]1CCN(CCOC(F)F)C1 ZINC000852172383 588669206 /nfs/dbraw/zinc/66/92/06/588669206.db2.gz RVAZKCSXASRTAO-MRVPVSSYSA-N 0 3 236.262 0.636 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@@H]1COC(C)(C)O1 ZINC000852184057 588670260 /nfs/dbraw/zinc/67/02/60/588670260.db2.gz FGCAOXSCXFSEPC-GMTAPVOTSA-N 0 3 229.320 0.983 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1C[C@@H]1COC(C)(C)O1 ZINC000852211716 588672569 /nfs/dbraw/zinc/67/25/69/588672569.db2.gz OZQQPZNQYKCGOR-GMTAPVOTSA-N 0 3 245.319 0.220 20 0 BCADHN C[C@H](CCO)N(C)C[C@H]1COC(C)(C)O1 ZINC000852212837 588673052 /nfs/dbraw/zinc/67/30/52/588673052.db2.gz FAKLHWPCDJBHRG-ZJUUUORDSA-N 0 3 217.309 0.841 20 0 BCADHN C[C@H](CO)CN1CCC2=C(CCC(=O)N2)C1 ZINC000852297843 588676854 /nfs/dbraw/zinc/67/68/54/588676854.db2.gz OVCFRSGRAICOCV-VIFPVBQESA-N 0 3 224.304 0.485 20 0 BCADHN COC[C@@H](C)N1CCC2=C(CCC(=O)N2)C1 ZINC000852299307 588677440 /nfs/dbraw/zinc/67/74/40/588677440.db2.gz UCIRSRLHFLKQLJ-SECBINFHSA-N 0 3 224.304 0.891 20 0 BCADHN COC(CN1CC[C@@H](Cn2ccnn2)C1)OC ZINC000852314756 588677863 /nfs/dbraw/zinc/67/78/63/588677863.db2.gz UZZFXADYNDPQQZ-SNVBAGLBSA-N 0 3 240.307 0.219 20 0 BCADHN C[C@@H](CO)CN1CC[C@@H](N2CCOC2=O)C1 ZINC000852436459 588681958 /nfs/dbraw/zinc/68/19/58/588681958.db2.gz ICZWLUKTHUKTGG-NXEZZACHSA-N 0 3 228.292 0.141 20 0 BCADHN C[C@@H](O)CCN1CC[C@H](N2CCOC2=O)C1 ZINC000852437889 588682021 /nfs/dbraw/zinc/68/20/21/588682021.db2.gz JRDBDNLWEVRNFE-ZJUUUORDSA-N 0 3 228.292 0.284 20 0 BCADHN C[C@@H](O)CCN1CC[C@@H](N2CCOC2=O)C1 ZINC000852437886 588682148 /nfs/dbraw/zinc/68/21/48/588682148.db2.gz JRDBDNLWEVRNFE-NXEZZACHSA-N 0 3 228.292 0.284 20 0 BCADHN O=C1OCCN1[C@@H]1CCN(CCCF)C1 ZINC000852435366 588682258 /nfs/dbraw/zinc/68/22/58/588682258.db2.gz MUSOEXWFJLKDAL-SECBINFHSA-N 0 3 216.256 0.873 20 0 BCADHN O=C1CC[C@H]2CN(CCOC(F)F)CC[C@H]2N1 ZINC000852493619 588685412 /nfs/dbraw/zinc/68/54/12/588685412.db2.gz APLDSEMUJKQVQX-DTWKUNHWSA-N 0 3 248.273 0.826 20 0 BCADHN CN(C[C@@H]1COC(C)(C)O1)C[C@@H]1COCCO1 ZINC000852498364 588685654 /nfs/dbraw/zinc/68/56/54/588685654.db2.gz GEDFNGYCRVIJDJ-GHMZBOCLSA-N 0 3 245.319 0.485 20 0 BCADHN C[S@@](=O)CCN1CCC[C@](O)(C2CC2)C1 ZINC000852500394 588685794 /nfs/dbraw/zinc/68/57/94/588685794.db2.gz AEVLXKDLIDMJHU-IAQYHMDHSA-N 0 3 231.361 0.602 20 0 BCADHN C[C@H]1C(=O)NCCN1C(=O)c1cccc(CN)c1 ZINC000110654389 588687697 /nfs/dbraw/zinc/68/76/97/588687697.db2.gz BYGPJEYQAWMLNQ-VIFPVBQESA-N 0 3 247.298 0.106 20 0 BCADHN C[C@@H]1C(=O)NCCN1C(=O)c1cccc(CN)c1 ZINC000110654386 588687911 /nfs/dbraw/zinc/68/79/11/588687911.db2.gz BYGPJEYQAWMLNQ-SECBINFHSA-N 0 3 247.298 0.106 20 0 BCADHN COC(=O)N(C)CCN(C)CCSC ZINC000852569046 588691178 /nfs/dbraw/zinc/69/11/78/588691178.db2.gz AFADQZHCCNIGJJ-UHFFFAOYSA-N 0 3 220.338 0.979 20 0 BCADHN C[S@](=O)CCN[C@@H]1C[C@@H](O)C12CCC2 ZINC000852583187 588691940 /nfs/dbraw/zinc/69/19/40/588691940.db2.gz SQHKZOJUAABACG-NUPCCRGMSA-N 0 3 217.334 0.258 20 0 BCADHN C[S@](=O)CCN[C@@H]1C[C@H](O)C12CCC2 ZINC000852583186 588692101 /nfs/dbraw/zinc/69/21/01/588692101.db2.gz SQHKZOJUAABACG-ITMYJUKJSA-N 0 3 217.334 0.258 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NOC)C1 ZINC000852632103 588692923 /nfs/dbraw/zinc/69/29/23/588692923.db2.gz PXYIBTAFUROXFL-MRVPVSSYSA-N 0 3 201.270 0.331 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@@H](O)C2CC2)C[C@@H]1C ZINC000852650333 588694087 /nfs/dbraw/zinc/69/40/87/588694087.db2.gz JKLJQSXMNIIPPJ-MVWJERBFSA-N 0 3 241.331 0.888 20 0 BCADHN O=C1CC[C@@H](CN2CCC3(COC3)C2)O1 ZINC000852683011 588695455 /nfs/dbraw/zinc/69/54/55/588695455.db2.gz DYIWMPGVXKTQKR-VIFPVBQESA-N 0 3 211.261 0.414 20 0 BCADHN COC(CN1CCC2(COC2)C1)OC ZINC000852683969 588695578 /nfs/dbraw/zinc/69/55/78/588695578.db2.gz XUSIORBTMRUGHG-UHFFFAOYSA-N 0 3 201.266 0.328 20 0 BCADHN CC(=O)CCN1CC[C@@H](CN2CCCC2=O)C1 ZINC000852682298 588695587 /nfs/dbraw/zinc/69/55/87/588695587.db2.gz WJVFIZNFGODEOA-GFCCVEGCSA-N 0 3 238.331 0.910 20 0 BCADHN CC(=O)CCN1CCC(N2CCOC2=O)CC1 ZINC000852724352 588697988 /nfs/dbraw/zinc/69/79/88/588697988.db2.gz VUZYEFISOFSRMU-UHFFFAOYSA-N 0 3 240.303 0.882 20 0 BCADHN C[C@@H](O)CCN1CCC(N2CCOC2=O)CC1 ZINC000852719714 588698191 /nfs/dbraw/zinc/69/81/91/588698191.db2.gz NPIHCYGLBSFXTQ-SNVBAGLBSA-N 0 3 242.319 0.674 20 0 BCADHN O=C(NC[C@@H]1CCCO1)[C@@H]1NCC12CCCC2 ZINC000852772192 588701786 /nfs/dbraw/zinc/70/17/86/588701786.db2.gz KQAQRBXHDCVEJL-QWRGUYRKSA-N 0 3 238.331 0.814 20 0 BCADHN Cn1nccc1CNC(=O)[C@H]1NCC12CCCC2 ZINC000852786401 588702359 /nfs/dbraw/zinc/70/23/59/588702359.db2.gz BUVDSKWFGYZCHU-LLVKDONJSA-N 0 3 248.330 0.569 20 0 BCADHN CCOC(=O)CNC(=O)[C@H]1NCC12CCCC2 ZINC000852791223 588702991 /nfs/dbraw/zinc/70/29/91/588702991.db2.gz ZIJMUDXJSFTJRU-SNVBAGLBSA-N 0 3 240.303 0.198 20 0 BCADHN CCC(C)(C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852801633 588704579 /nfs/dbraw/zinc/70/45/79/588704579.db2.gz SOANVLQSNPVWMW-ZETCQYMHSA-N 0 3 213.281 0.395 20 0 BCADHN C[C@H](NN1CCNCC1(C)C)c1ncnn1C ZINC000852797821 588703760 /nfs/dbraw/zinc/70/37/60/588703760.db2.gz BBEGYVUGTUTXAW-VIFPVBQESA-N 0 3 238.339 0.065 20 0 BCADHN NC[C@H]1CC(C(=O)N2CCCCCC2)=NO1 ZINC000852798779 588703958 /nfs/dbraw/zinc/70/39/58/588703958.db2.gz BHBKIVHOWFCPCL-SECBINFHSA-N 0 3 225.292 0.493 20 0 BCADHN CC[C@H]1CCCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852800697 588704157 /nfs/dbraw/zinc/70/41/57/588704157.db2.gz RMOUUOSKRGORCG-VHSXEESVSA-N 0 3 239.319 0.881 20 0 BCADHN CN(C(=O)C1=NO[C@@H](CN)C1)C1CCCC1 ZINC000852805516 588704510 /nfs/dbraw/zinc/70/45/10/588704510.db2.gz BTIJUTMVSRFCCK-SECBINFHSA-N 0 3 225.292 0.491 20 0 BCADHN Cc1ccc(CNC(=O)C2=NO[C@H](CN)C2)cc1 ZINC000852801489 588704557 /nfs/dbraw/zinc/70/45/57/588704557.db2.gz NFDLGEDSDLMSIN-NSHDSACASA-N 0 3 247.298 0.715 20 0 BCADHN NC[C@@H]1CC(C(=O)NC(C2CC2)C2CC2)=NO1 ZINC000852806641 588704881 /nfs/dbraw/zinc/70/48/81/588704881.db2.gz JZDGZJMKGOWBIV-VIFPVBQESA-N 0 3 237.303 0.395 20 0 BCADHN NC[C@H]1CC(C(=O)NC(C2CC2)C2CC2)=NO1 ZINC000852806639 588704896 /nfs/dbraw/zinc/70/48/96/588704896.db2.gz JZDGZJMKGOWBIV-SECBINFHSA-N 0 3 237.303 0.395 20 0 BCADHN C[C@@H]1CCC[C@@H](NC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852810140 588704943 /nfs/dbraw/zinc/70/49/43/588704943.db2.gz BUFJGCDEIVFVQN-BBBLOLIVSA-N 0 3 239.319 0.785 20 0 BCADHN NC[C@H]1CC(C(=O)NCc2ccsc2)=NO1 ZINC000852811757 588705045 /nfs/dbraw/zinc/70/50/45/588705045.db2.gz SHRYDDWAADYLRT-MRVPVSSYSA-N 0 3 239.300 0.468 20 0 BCADHN CCC[C@@H](C)N(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852816459 588705435 /nfs/dbraw/zinc/70/54/35/588705435.db2.gz VVYLHGVSMMXNNO-BDAKNGLRSA-N 0 3 227.308 0.737 20 0 BCADHN CCC1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852818976 588705539 /nfs/dbraw/zinc/70/55/39/588705539.db2.gz UMOAHUYOTZMFAJ-SNVBAGLBSA-N 0 3 239.319 0.739 20 0 BCADHN CN[C@@H](C)C(=O)Nc1nc(C(F)(F)F)c[nH]1 ZINC000852816530 588705563 /nfs/dbraw/zinc/70/55/63/588705563.db2.gz XUHDOCUXHOTFFV-BYPYZUCNSA-N 0 3 236.197 0.975 20 0 BCADHN CC[C@H](NC)C(=O)N(C)[C@@H]1CCCCNC1=O ZINC000852824895 588705718 /nfs/dbraw/zinc/70/57/18/588705718.db2.gz HNXZEQHYJPBCNC-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)C(C)(C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852822997 588705730 /nfs/dbraw/zinc/70/57/30/588705730.db2.gz BHADONIKNWQLMM-MRVPVSSYSA-N 0 3 227.308 0.641 20 0 BCADHN CCC[C@H](CC)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852823671 588705752 /nfs/dbraw/zinc/70/57/52/588705752.db2.gz RZNALVXYLWZOBI-DTWKUNHWSA-N 0 3 227.308 0.785 20 0 BCADHN CC[C@@H]1CCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852820271 588705869 /nfs/dbraw/zinc/70/58/69/588705869.db2.gz TXSFFINZWCVFBA-RKDXNWHRSA-N 0 3 225.292 0.491 20 0 BCADHN C[C@@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)[C@@H]1C ZINC000852828470 588706223 /nfs/dbraw/zinc/70/62/23/588706223.db2.gz YCFBSFCOTBOQHP-OPRDCNLKSA-N 0 3 239.319 0.737 20 0 BCADHN O=C(CCCF)N[C@@H]1CNCCC1(F)F ZINC000852833135 588706895 /nfs/dbraw/zinc/70/68/95/588706895.db2.gz VKLXVOKPIMWNKB-SSDOTTSWSA-N 0 3 224.226 0.850 20 0 BCADHN O=C(CCCF)N[C@H]1CNCCC1(F)F ZINC000852833136 588706900 /nfs/dbraw/zinc/70/69/00/588706900.db2.gz VKLXVOKPIMWNKB-ZETCQYMHSA-N 0 3 224.226 0.850 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)[C@]1(F)CCNC1 ZINC000852836511 588707093 /nfs/dbraw/zinc/70/70/93/588707093.db2.gz BBJMGZDWRIQWCL-JTQLQIEISA-N 0 3 226.255 0.070 20 0 BCADHN CC1(C)CCC[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852841603 588707324 /nfs/dbraw/zinc/70/73/24/588707324.db2.gz NPJJIFKJBNCMIZ-WCBMZHEXSA-N 0 3 239.319 0.785 20 0 BCADHN NC[C@H]1CC(C(=O)NC[C@@H]2CCCS2)=NO1 ZINC000852841781 588707375 /nfs/dbraw/zinc/70/73/75/588707375.db2.gz PNZODPJTXXOVDA-SFYZADRCSA-N 0 3 243.332 0.102 20 0 BCADHN CO[C@@H]1CCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000852842744 588707571 /nfs/dbraw/zinc/70/75/71/588707571.db2.gz GZLRSFHVQBWECS-LLVKDONJSA-N 0 3 238.331 0.908 20 0 BCADHN CSCCCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852844629 588707742 /nfs/dbraw/zinc/70/77/42/588707742.db2.gz YERNBVMQZZRPGI-MRVPVSSYSA-N 0 3 245.348 0.349 20 0 BCADHN CC(C)[C@@H](C)CNC(=O)C1=NO[C@H](CN)C1 ZINC000852844601 588707795 /nfs/dbraw/zinc/70/77/95/588707795.db2.gz XVZRVMLZPKKUBA-IUCAKERBSA-N 0 3 227.308 0.498 20 0 BCADHN CC[C@@H]1CCC[C@@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852849458 588708117 /nfs/dbraw/zinc/70/81/17/588708117.db2.gz GCORFEPVAGMWKS-BBBLOLIVSA-N 0 3 239.319 0.785 20 0 BCADHN CC[C@H](C)CN(CC)C(=O)C1=NO[C@@H](CN)C1 ZINC000852851536 588708143 /nfs/dbraw/zinc/70/81/43/588708143.db2.gz SLQKWPYUYSMSDL-VHSXEESVSA-N 0 3 241.335 0.985 20 0 BCADHN C[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)[C@@H]1C ZINC000852852058 588708156 /nfs/dbraw/zinc/70/81/56/588708156.db2.gz NBZMGXBZLDHMFR-IWSPIJDZSA-N 0 3 225.292 0.347 20 0 BCADHN CCC[C@@H]1C[C@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852851294 588708256 /nfs/dbraw/zinc/70/82/56/588708256.db2.gz BOPWCPIBLDDKFS-IWSPIJDZSA-N 0 3 225.292 0.395 20 0 BCADHN CCCC1(CNC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852853597 588708353 /nfs/dbraw/zinc/70/83/53/588708353.db2.gz KHHVJBZTYBKPCW-VIFPVBQESA-N 0 3 239.319 0.787 20 0 BCADHN C[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)[C@H]1C ZINC000852852057 588708401 /nfs/dbraw/zinc/70/84/01/588708401.db2.gz NBZMGXBZLDHMFR-HRDYMLBCSA-N 0 3 225.292 0.347 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000852855888 588708453 /nfs/dbraw/zinc/70/84/53/588708453.db2.gz QGXYXBKZKQSQCP-MRTMQBJTSA-N 0 3 248.273 0.654 20 0 BCADHN Cc1ncccc1NC(=O)C1=NO[C@H](CN)C1 ZINC000852857811 588708745 /nfs/dbraw/zinc/70/87/45/588708745.db2.gz GYXQIGPIFMBMCZ-QMMMGPOBSA-N 0 3 234.259 0.432 20 0 BCADHN Cc1ccc(NC(=O)C2=NO[C@H](CN)C2)nc1 ZINC000852857011 588708823 /nfs/dbraw/zinc/70/88/23/588708823.db2.gz YFZSFUTYCQHNRV-QMMMGPOBSA-N 0 3 234.259 0.432 20 0 BCADHN Cc1ccc(NC(=O)C2=NO[C@@H](CN)C2)nc1 ZINC000852857010 588708835 /nfs/dbraw/zinc/70/88/35/588708835.db2.gz YFZSFUTYCQHNRV-MRVPVSSYSA-N 0 3 234.259 0.432 20 0 BCADHN O=C(NCC1=CCCC1)[C@@]1(F)CCNC1 ZINC000852863439 588709050 /nfs/dbraw/zinc/70/90/50/588709050.db2.gz FPNYNPVQZGFDOY-LLVKDONJSA-N 0 3 212.268 0.915 20 0 BCADHN Cc1cccnc1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852862939 588709185 /nfs/dbraw/zinc/70/91/85/588709185.db2.gz IBTQDNYPTGGDLG-SECBINFHSA-N 0 3 248.286 0.110 20 0 BCADHN C[C@]12COC[C@@H]1CN(C(=O)[C@]1(F)CCNC1)C2 ZINC000852860330 588709204 /nfs/dbraw/zinc/70/92/04/588709204.db2.gz BWONHEJBXDLZJM-DLOVCJGASA-N 0 3 242.294 0.183 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000852861172 588709308 /nfs/dbraw/zinc/70/93/08/588709308.db2.gz PYCUXAWVHPFUAC-OUJBWJOFSA-N 0 3 238.331 0.622 20 0 BCADHN N[C@@H]1CN(C(=O)c2ccc[nH]c2=O)CC[C@H]1F ZINC000852869985 588709499 /nfs/dbraw/zinc/70/94/99/588709499.db2.gz NQLXJTFYGSTIHB-RKDXNWHRSA-N 0 3 239.250 0.299 20 0 BCADHN O=C(N1CC[C@@H]2COC[C@H]2C1)[C@]1(F)CCNC1 ZINC000852865279 588709634 /nfs/dbraw/zinc/70/96/34/588709634.db2.gz YBTGVOJTHNUEID-FOGDFJRCSA-N 0 3 242.294 0.183 20 0 BCADHN NC[C@@H]1CC(C(=O)N2CCCSCC2)=NO1 ZINC000852876076 588710250 /nfs/dbraw/zinc/71/02/50/588710250.db2.gz VBCYLDGKPSUVGT-QMMMGPOBSA-N 0 3 243.332 0.056 20 0 BCADHN NC[C@@H]1CC(C(=O)Nc2ccccc2O)=NO1 ZINC000852875575 588710252 /nfs/dbraw/zinc/71/02/52/588710252.db2.gz KEVZZRXBODFCLZ-ZETCQYMHSA-N 0 3 235.243 0.434 20 0 BCADHN Cc1ccc(O)c(NC(=O)C2=NO[C@@H](CN)C2)c1 ZINC000852878764 588710708 /nfs/dbraw/zinc/71/07/08/588710708.db2.gz OEOLONRISZOUCF-MRVPVSSYSA-N 0 3 249.270 0.743 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N1C(=O)C1=NO[C@@H](CN)C1 ZINC000852887991 588711604 /nfs/dbraw/zinc/71/16/04/588711604.db2.gz GBGZYRFPQZZSKJ-OPRDCNLKSA-N 0 3 239.319 0.880 20 0 BCADHN COC(=O)[C@]1(F)CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000852896841 588712032 /nfs/dbraw/zinc/71/20/32/588712032.db2.gz CKIOSGFBJDGPFS-KCJUWKMLSA-N 0 3 246.282 0.083 20 0 BCADHN CN(C(=O)C1=NO[C@H](CN)C1)C(C)(C)C ZINC000852895494 588712148 /nfs/dbraw/zinc/71/21/48/588712148.db2.gz ZFNABHZXSJBIOS-ZETCQYMHSA-N 0 3 213.281 0.347 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000852897777 588712164 /nfs/dbraw/zinc/71/21/64/588712164.db2.gz MTZORBORANNPSM-JQWIXIFHSA-N 0 3 244.310 0.716 20 0 BCADHN CCC1(NC(=O)[C@]2(F)CCNC2)CCOCC1 ZINC000852905604 588712661 /nfs/dbraw/zinc/71/26/61/588712661.db2.gz XHIVEDWVSYAOFG-LBPRGKRZSA-N 0 3 244.310 0.763 20 0 BCADHN CC(C)(F)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852907237 588712926 /nfs/dbraw/zinc/71/29/26/588712926.db2.gz HMEAQIBARHJZBJ-ZETCQYMHSA-N 0 3 231.271 0.344 20 0 BCADHN CN(C[C@H]1CC1(C)C)C(=O)C1=NO[C@H](CN)C1 ZINC000852924567 588713542 /nfs/dbraw/zinc/71/35/42/588713542.db2.gz LPJGTAJGFBAYTK-BDAKNGLRSA-N 0 3 239.319 0.595 20 0 BCADHN CCOCC(=O)OC[C@]1(C)C[C@@H](OC)CN1C ZINC000861338753 589161228 /nfs/dbraw/zinc/16/12/28/589161228.db2.gz DMQAHXABYAGIMW-PWSUYJOCSA-N 0 3 245.319 0.675 20 0 BCADHN Cc1cncn1CC(=O)OCCN1CCC1 ZINC000861390590 589164089 /nfs/dbraw/zinc/16/40/89/589164089.db2.gz BSGBZSBSCFMMNE-UHFFFAOYSA-N 0 3 223.276 0.440 20 0 BCADHN Cc1ccnn1CC(=O)NC(C)(C)CN(C)C ZINC000861943886 589183720 /nfs/dbraw/zinc/18/37/20/589183720.db2.gz ZNBZMJXANAHAHF-UHFFFAOYSA-N 0 3 238.335 0.648 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1COCO1)N(CC)CC ZINC000861972243 589186416 /nfs/dbraw/zinc/18/64/16/589186416.db2.gz QIVXKIXRTYEGLS-GHMZBOCLSA-N 0 3 244.335 0.596 20 0 BCADHN CCCN(C)CC(=O)NCc1cnn(CC)n1 ZINC000862384856 589205964 /nfs/dbraw/zinc/20/59/64/589205964.db2.gz MIVGIISWPSQSBU-UHFFFAOYSA-N 0 3 239.323 0.256 20 0 BCADHN Cc1c(CN[C@H]2C[C@@H](C(N)=O)C2)ccnc1F ZINC000862400565 589209255 /nfs/dbraw/zinc/20/92/55/589209255.db2.gz BAXNNJVGELQXSH-AOOOYVTPSA-N 0 3 237.278 0.883 20 0 BCADHN CCON(CC)C(=O)CN[C@@H]1CCSC1 ZINC000862451537 589215195 /nfs/dbraw/zinc/21/51/95/589215195.db2.gz DCBLKINNPVYHPS-SECBINFHSA-N 0 3 232.349 0.882 20 0 BCADHN CON(C)C(=O)[C@H](C)NC[C@H]1CCC=CO1 ZINC000862539978 589218276 /nfs/dbraw/zinc/21/82/76/589218276.db2.gz ZDSBMULLUCTARI-VHSXEESVSA-N 0 3 228.292 0.677 20 0 BCADHN Cn1cc(/C=C\C(=O)NC[C@H]2CCCN2C)cn1 ZINC000862725207 589236671 /nfs/dbraw/zinc/23/66/71/589236671.db2.gz OSNNEXUZZMKSST-FOQNGQEVSA-N 0 3 248.330 0.644 20 0 BCADHN CONC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000119072518 589237370 /nfs/dbraw/zinc/23/73/70/589237370.db2.gz IXHMLNLHZFYTIL-HTQZYQBOSA-N 0 3 213.281 0.472 20 0 BCADHN CC(C)[C@@H](C(=O)Nn1cccn1)N(C)C ZINC000862766930 589239030 /nfs/dbraw/zinc/23/90/30/589239030.db2.gz OYZPFIGZFAKYSN-VIFPVBQESA-N 0 3 210.281 0.539 20 0 BCADHN CCCCC[C@@H](NC(=O)[C@@H](N)CC)C(=O)OC ZINC000119249086 589254004 /nfs/dbraw/zinc/25/40/04/589254004.db2.gz LXFRUCFILJGAPS-VHSXEESVSA-N 0 3 244.335 0.962 20 0 BCADHN CN1CCC[C@H]1CNC(=O)[C@@H]1CCC=CO1 ZINC000863503260 589294563 /nfs/dbraw/zinc/29/45/63/589294563.db2.gz BFJQNWQRPCJSHV-QWRGUYRKSA-N 0 3 224.304 0.890 20 0 BCADHN CN1CCC[C@H]1CNC(=O)[C@H]1CCC=CO1 ZINC000863503261 589294572 /nfs/dbraw/zinc/29/45/72/589294572.db2.gz BFJQNWQRPCJSHV-WDEREUQCSA-N 0 3 224.304 0.890 20 0 BCADHN Cn1cc(/C=C\C(=O)NC[C@@H]2CCCN2C)cn1 ZINC000863507062 589295285 /nfs/dbraw/zinc/29/52/85/589295285.db2.gz OSNNEXUZZMKSST-FJOGCWAESA-N 0 3 248.330 0.644 20 0 BCADHN CON(C)C(=O)[C@@H](C)NC[C@@H](O)CCC(C)C ZINC000863586883 589302380 /nfs/dbraw/zinc/30/23/80/589302380.db2.gz NLCRMIBLYKJNLL-MNOVXSKESA-N 0 3 246.351 0.781 20 0 BCADHN CN(C[C@@H](O)C[C@](C)(O)C1CC1)C1CC1 ZINC000863968325 589327945 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CON(C)C(=O)[C@H](C)N[C@H]1CCOC(C)(C)C1 ZINC000872090107 589868597 /nfs/dbraw/zinc/86/85/97/589868597.db2.gz LSWIHAXFDHLONQ-UWVGGRQHSA-N 0 3 244.335 0.942 20 0 BCADHN C[C@@H](NC[C@H]1C[C@H](O)C1)c1ccn(C)n1 ZINC000872127411 589876837 /nfs/dbraw/zinc/87/68/37/589876837.db2.gz RZMQOVRXCHYYCO-OPRDCNLKSA-N 0 3 209.293 0.842 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)N[C@@H]1CCOC[C@H]1O ZINC000872142220 589882512 /nfs/dbraw/zinc/88/25/12/589882512.db2.gz NNENUCUTXKLHOJ-GGZOMVNGSA-N 0 3 239.319 0.529 20 0 BCADHN CC(=O)C1CCN(C[C@H]2CNCCO2)CC1 ZINC000872146894 589884804 /nfs/dbraw/zinc/88/48/04/589884804.db2.gz ZZNAUCCZKSPHOO-GFCCVEGCSA-N 0 3 226.320 0.276 20 0 BCADHN Cn1nccc1CNC[C@H](O)CC(C)(C)O ZINC000872197966 589889113 /nfs/dbraw/zinc/88/91/13/589889113.db2.gz HJNTWSRTTZDGNC-SNVBAGLBSA-N 0 3 227.308 0.032 20 0 BCADHN Cn1ccc(CNC[C@H](O)CC(C)(C)O)c1 ZINC000872202256 589890986 /nfs/dbraw/zinc/89/09/86/589890986.db2.gz DXIXLOZLUKQMRR-LLVKDONJSA-N 0 3 226.320 0.637 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC[C@@H](O)CC(C)(C)O)C1 ZINC000872210148 589894095 /nfs/dbraw/zinc/89/40/95/589894095.db2.gz NEZOCDKEODVNDJ-AEJSXWLSSA-N 0 3 245.319 0.050 20 0 BCADHN CCn1nccc1CNC[C@H](O)CC(C)(C)O ZINC000872215449 589895296 /nfs/dbraw/zinc/89/52/96/589895296.db2.gz AUPAHNAGQMYGNM-LLVKDONJSA-N 0 3 241.335 0.515 20 0 BCADHN O[C@@H](CN[C@@H]1COC[C@@H]1O)c1ccccc1F ZINC000872217607 589895611 /nfs/dbraw/zinc/89/56/11/589895611.db2.gz AZOMXRYYJUMJIM-WOPDTQHZSA-N 0 3 241.262 0.208 20 0 BCADHN Cc1ccc([C@@H](O)CN[C@@H]2COC[C@@H]2O)cc1 ZINC000872219075 589895909 /nfs/dbraw/zinc/89/59/09/589895909.db2.gz VBDUAVONCBJAAN-AGIUHOORSA-N 0 3 237.299 0.378 20 0 BCADHN COC[C@@H](O)CN[C@@H]1CCCC[C@@H]1F ZINC000872218464 589895946 /nfs/dbraw/zinc/89/59/46/589895946.db2.gz KFJHEMZUSSZAIA-LPEHRKFASA-N 0 3 205.273 0.864 20 0 BCADHN O[C@@H](CN[C@@H]1COC[C@@H]1O)c1ccc(F)cc1 ZINC000872219104 589896061 /nfs/dbraw/zinc/89/60/61/589896061.db2.gz VLINPYQKNOAURC-WOPDTQHZSA-N 0 3 241.262 0.208 20 0 BCADHN O[C@H](CNCC[C@@H](O)C(F)F)c1ccccn1 ZINC000872221716 589896532 /nfs/dbraw/zinc/89/65/32/589896532.db2.gz IUTFJVBUEPKZOH-NXEZZACHSA-N 0 3 246.257 0.721 20 0 BCADHN COCCOC[C@H](O)CN[C@@H]1CCCC[C@@H]1F ZINC000872219752 589896637 /nfs/dbraw/zinc/89/66/37/589896637.db2.gz XJLZZXNSHGGLTF-GRYCIOLGSA-N 0 3 249.326 0.881 20 0 BCADHN Cc1ccc([C@H](O)CNC[C@H](O)[C@@H](C)O)cc1 ZINC000872225157 589897460 /nfs/dbraw/zinc/89/74/60/589897460.db2.gz ZEZZBJHPXZTRKN-KGYLQXTDSA-N 0 3 239.315 0.360 20 0 BCADHN O[C@H](CN[C@H]1CCC[C@@H]1O)c1ccccn1 ZINC000872224687 589897507 /nfs/dbraw/zinc/89/75/07/589897507.db2.gz JCIRWKXJPFIQRO-ZMLRMANQSA-N 0 3 222.288 0.618 20 0 BCADHN CC[C@H](C[C@H](C)O)NC[C@@H](C)S(C)(=O)=O ZINC000872240928 589898718 /nfs/dbraw/zinc/89/87/18/589898718.db2.gz KCHVAEIPVHDVOR-IVZWLZJFSA-N 0 3 237.365 0.559 20 0 BCADHN C[S@@](=O)CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872260911 589901553 /nfs/dbraw/zinc/90/15/53/589901553.db2.gz WFNDTWMOCHIQAF-QUIZZNFMSA-N 0 3 245.388 0.846 20 0 BCADHN CCN[C@H](C)C(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872308850 589908543 /nfs/dbraw/zinc/90/85/43/589908543.db2.gz KBYJFMVEEGRKIC-FOGDFJRCSA-N 0 3 226.320 0.812 20 0 BCADHN CCCNC(=O)CN[C@]12CCC[C@H]1OCC2 ZINC000872310926 589909635 /nfs/dbraw/zinc/90/96/35/589909635.db2.gz RGHNDJXVROFKNF-PWSUYJOCSA-N 0 3 226.320 0.814 20 0 BCADHN C[C@H](CNc1nc(N)nc(C(F)F)n1)N(C)C ZINC000872425258 589938421 /nfs/dbraw/zinc/93/84/21/589938421.db2.gz MRQHMUBDBSBRCU-RXMQYKEDSA-N 0 3 246.265 0.753 20 0 BCADHN C[S@@](=O)CCNCc1ccc(C(N)=O)cc1 ZINC000124155206 589952461 /nfs/dbraw/zinc/95/24/61/589952461.db2.gz MCAFFLINIYRGIR-INIZCTEOSA-N 0 3 240.328 0.254 20 0 BCADHN C[C@H]1CN(CN2C[C@@H]3COC[C@@H]3C2)C(=O)[C@H]1C ZINC000872786344 589970532 /nfs/dbraw/zinc/97/05/32/589970532.db2.gz ZPOYJJLWZCISJL-FIQHERPVSA-N 0 3 238.331 0.637 20 0 BCADHN O=C1CC2(CCC2)N1CN1C[C@@H]2COC[C@@H]2C1 ZINC000872785965 589970802 /nfs/dbraw/zinc/97/08/02/589970802.db2.gz MPGDCMAJYDTYOM-PHIMTYICSA-N 0 3 236.315 0.677 20 0 BCADHN CN(C)C1(CNCc2ccon2)CCOCC1 ZINC000873050897 589981298 /nfs/dbraw/zinc/98/12/98/589981298.db2.gz WLEWBLWXFNOMPA-UHFFFAOYSA-N 0 3 239.319 0.875 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CCOC(C)(C)C1 ZINC000873133818 589985694 /nfs/dbraw/zinc/98/56/94/589985694.db2.gz KQRPFSVROYWLHX-JTQLQIEISA-N 0 3 244.335 0.944 20 0 BCADHN CC(C)N1CCCN(Cc2cnc(N)cn2)CC1 ZINC000873201421 589993399 /nfs/dbraw/zinc/99/33/99/589993399.db2.gz TWGHQWFWALCNLJ-UHFFFAOYSA-N 0 3 249.362 0.975 20 0 BCADHN C[C@@H](O)C(C)(C)NCc1cnc(N)cn1 ZINC000873207054 589994179 /nfs/dbraw/zinc/99/41/79/589994179.db2.gz PREFAINEVUXRDC-SSDOTTSWSA-N 0 3 210.281 0.308 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1Cc1cnc(N)cn1 ZINC000873209845 589995018 /nfs/dbraw/zinc/99/50/18/589995018.db2.gz UGSUFDGSRRDAMX-GFCCVEGCSA-N 0 3 249.362 0.831 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873299491 590025201 /nfs/dbraw/zinc/02/52/01/590025201.db2.gz RZIICNHJTXTAKX-KXUCPTDWSA-N 0 3 226.320 0.798 20 0 BCADHN CC[C@H](OC(=O)C1CCCN(C)C1=O)C(C)=O ZINC000873399274 590038400 /nfs/dbraw/zinc/03/84/00/590038400.db2.gz IQAMRZUTYDCJEP-ZJUUUORDSA-N 0 3 241.287 0.766 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)[C@]1(C)CCC(=O)N1 ZINC000873551278 590056472 /nfs/dbraw/zinc/05/64/72/590056472.db2.gz URJARKHOLMKZRG-SKDRFNHKSA-N 0 3 242.319 0.539 20 0 BCADHN CCOC(=O)[C@H](C(=O)NCCN(C)C)C(C)C ZINC000873735219 590069936 /nfs/dbraw/zinc/06/99/36/590069936.db2.gz BGQPTXHXLCNASL-JTQLQIEISA-N 0 3 244.335 0.500 20 0 BCADHN CN(C)CCNC(=O)Cn1ncc2cccnc21 ZINC000873735912 590070014 /nfs/dbraw/zinc/07/00/14/590070014.db2.gz XQAVWVMPJMYCBI-UHFFFAOYSA-N 0 3 247.302 0.109 20 0 BCADHN COC(OC)C(=O)NCCN1CCC[C@H](C)C1 ZINC000874041300 590086087 /nfs/dbraw/zinc/08/60/87/590086087.db2.gz RRGRUNWSLGUSSC-JTQLQIEISA-N 0 3 244.335 0.453 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)[C@@H](C)N(C)C ZINC000874468868 590113340 /nfs/dbraw/zinc/11/33/40/590113340.db2.gz SXQGPEXWCOTNMX-GHMZBOCLSA-N 0 3 229.368 0.639 20 0 BCADHN CONC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000125070970 590116910 /nfs/dbraw/zinc/11/69/10/590116910.db2.gz VESSLMQYYKURKS-VIFPVBQESA-N 0 3 213.281 0.331 20 0 BCADHN CC(C(=O)N[C@@H]1CC12CCC2)S(C)(=O)=O ZINC000874788357 590136310 /nfs/dbraw/zinc/13/63/10/590136310.db2.gz LWQYBHGALPRNEJ-HTQZYQBOSA-N 0 3 231.317 0.478 20 0 BCADHN CC(C(=O)N[C@@H]1CC12CCC2)S(C)(=O)=O ZINC000874788358 590136363 /nfs/dbraw/zinc/13/63/63/590136363.db2.gz LWQYBHGALPRNEJ-JGVFFNPUSA-N 0 3 231.317 0.478 20 0 BCADHN C[C@@H](C(=O)N1CC[C@@H]2[C@@H]1CCCN2C)N(C)C ZINC000874822165 590141045 /nfs/dbraw/zinc/14/10/45/590141045.db2.gz GKIBRNVPZUCDEM-TUAOUCFPSA-N 0 3 239.363 0.632 20 0 BCADHN COC1(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)CC1 ZINC000874827007 590142185 /nfs/dbraw/zinc/14/21/85/590142185.db2.gz XXNZCUBBMSWTLT-MNOVXSKESA-N 0 3 238.331 0.861 20 0 BCADHN Cn1cncc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874828051 590142310 /nfs/dbraw/zinc/14/23/10/590142310.db2.gz FXGBTJUZZSGTTF-MNOVXSKESA-N 0 3 248.330 0.729 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H](O)C1CC1 ZINC000874828895 590142591 /nfs/dbraw/zinc/14/25/91/590142591.db2.gz JRYZTXNPWUNNBL-UTUOFQBUSA-N 0 3 238.331 0.452 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1nnc[nH]1 ZINC000874825514 590142736 /nfs/dbraw/zinc/14/27/36/590142736.db2.gz PQFILUJRKMWWSG-UWVGGRQHSA-N 0 3 249.318 0.042 20 0 BCADHN CN(C)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874837704 590143606 /nfs/dbraw/zinc/14/36/06/590143606.db2.gz JDIDRCODEYBRIK-GHMZBOCLSA-N 0 3 225.336 0.243 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cncnc1 ZINC000874832424 590143868 /nfs/dbraw/zinc/14/38/68/590143868.db2.gz FLSINFYAQNIBJR-NWDGAFQWSA-N 0 3 246.314 0.785 20 0 BCADHN Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cn1 ZINC000874845097 590144512 /nfs/dbraw/zinc/14/45/12/590144512.db2.gz FYOJSFSBVSLQBG-VXGBXAGGSA-N 0 3 248.330 0.729 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ncccn1 ZINC000874839499 590145488 /nfs/dbraw/zinc/14/54/88/590145488.db2.gz XDJCCQZURUZLRN-GHMZBOCLSA-N 0 3 246.314 0.785 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NC[C@H]1C[C@H](O)C1 ZINC000875152640 590161370 /nfs/dbraw/zinc/16/13/70/590161370.db2.gz UDRJJMBCQJIRSG-GMTAPVOTSA-N 0 3 241.335 0.151 20 0 BCADHN COC[C@H](NC(=O)[C@]1(F)CCNC1)C1CC1 ZINC000125393446 590163095 /nfs/dbraw/zinc/16/30/95/590163095.db2.gz ZBBFZBRVBCMUMM-ONGXEEELSA-N 0 3 230.283 0.229 20 0 BCADHN Cc1noc(C)c1CN(C)C[C@H]1CNCCO1 ZINC000125475098 590165633 /nfs/dbraw/zinc/16/56/33/590165633.db2.gz LZDXYJXAPAFOND-LLVKDONJSA-N 0 3 239.319 0.712 20 0 BCADHN CCON(CC)C(=O)NC[C@H](C)N(C)C ZINC000875645169 590167445 /nfs/dbraw/zinc/16/74/45/590167445.db2.gz RYIIYWDALKTSBN-VIFPVBQESA-N 0 3 217.313 0.920 20 0 BCADHN CN(C)CCNC(=O)NCC[C@@H]1CCSC1 ZINC000875937590 590178604 /nfs/dbraw/zinc/17/86/04/590178604.db2.gz UVLHTTNBQYUTMJ-SNVBAGLBSA-N 0 3 245.392 0.990 20 0 BCADHN CC1=NO[C@H](CNC(=O)NC[C@H](C)N(C)C)C1 ZINC000875957547 590179789 /nfs/dbraw/zinc/17/97/89/590179789.db2.gz OIFKYJUKHMYZNG-UWVGGRQHSA-N 0 3 242.323 0.401 20 0 BCADHN C[C@@H](NC(=O)NCCN(C)C)c1ccnn1C ZINC000876270783 590193151 /nfs/dbraw/zinc/19/31/51/590193151.db2.gz XLICXUUTDABICL-SECBINFHSA-N 0 3 239.323 0.342 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1CC12CCC2 ZINC000876426840 590199551 /nfs/dbraw/zinc/19/95/51/590199551.db2.gz UCTLBJRPSOTOGD-SECBINFHSA-N 0 3 211.309 0.790 20 0 BCADHN CCC(=O)N1CCOC[C@@]1(COC)CN(C)C ZINC000876470649 590201695 /nfs/dbraw/zinc/20/16/95/590201695.db2.gz XHSKTEXIRULTRO-LBPRGKRZSA-N 0 3 244.335 0.202 20 0 BCADHN COC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000876502055 590203235 /nfs/dbraw/zinc/20/32/35/590203235.db2.gz YTUZNXZXTWYXCT-SECBINFHSA-N 0 3 239.279 0.140 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)Nc1n[nH]c2ccccc21 ZINC000876551197 590214945 /nfs/dbraw/zinc/21/49/45/590214945.db2.gz RIICHVOWPRHSCX-SCZZXKLOSA-N 0 3 246.270 0.618 20 0 BCADHN CCN(CC(=O)NC)C[C@](C)(OC)C1CC1 ZINC000876577950 590217999 /nfs/dbraw/zinc/21/79/99/590217999.db2.gz VUCSBQSFUOTSRE-LBPRGKRZSA-N 0 3 228.336 0.869 20 0 BCADHN CCN(CC(=O)NC)C[C@@](C)(OC)C1CC1 ZINC000876577949 590218106 /nfs/dbraw/zinc/21/81/06/590218106.db2.gz VUCSBQSFUOTSRE-GFCCVEGCSA-N 0 3 228.336 0.869 20 0 BCADHN CCN(CC(=O)NC)C[C@](C)(CC)OC ZINC000876577648 590218164 /nfs/dbraw/zinc/21/81/64/590218164.db2.gz IAESMNWHBYEKDZ-NSHDSACASA-N 0 3 216.325 0.869 20 0 BCADHN Cn1ncc2cc(CN(CCO)C3CC3)cnc21 ZINC000876579280 590218312 /nfs/dbraw/zinc/21/83/12/590218312.db2.gz DAUFFXIOGSBTDG-UHFFFAOYSA-N 0 3 246.314 0.925 20 0 BCADHN C[C@@H](C1CC1)N(C(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000876597996 590220446 /nfs/dbraw/zinc/22/04/46/590220446.db2.gz SKTYFRMBDQCHRC-CABZTGNLSA-N 0 3 239.363 0.665 20 0 BCADHN C[C@H]1CCC[C@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000876618615 590222555 /nfs/dbraw/zinc/22/25/55/590222555.db2.gz AEALYEKTUOMVOZ-SRVKXCTJSA-N 0 3 241.379 0.818 20 0 BCADHN CCc1cnc(NC(=O)[C@@H](N)CN(C)C)s1 ZINC000876624584 590222952 /nfs/dbraw/zinc/22/29/52/590222952.db2.gz GQDFHTSGUVNTGH-QMMMGPOBSA-N 0 3 242.348 0.533 20 0 BCADHN CCN[C@H](C)C(=O)NC1(C(=O)NC)CCCC1 ZINC000876638514 590224681 /nfs/dbraw/zinc/22/46/81/590224681.db2.gz CHFAXKMZMCAJIG-SECBINFHSA-N 0 3 241.335 0.159 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC[C@H]1C(C)(C)C ZINC000876642908 590225535 /nfs/dbraw/zinc/22/55/35/590225535.db2.gz PANKZVFCLHPSKT-QWRGUYRKSA-N 0 3 241.379 0.912 20 0 BCADHN COC(C)(C)C[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000876680773 590229470 /nfs/dbraw/zinc/22/94/70/590229470.db2.gz IIRJQDUAOZZZFG-UWVGGRQHSA-N 0 3 245.367 0.195 20 0 BCADHN Cc1nc(C)c(NC(=O)[C@@H](N)CN(C)C)s1 ZINC000876691966 590231376 /nfs/dbraw/zinc/23/13/76/590231376.db2.gz JWWWSJHDHZSKCX-QMMMGPOBSA-N 0 3 242.348 0.587 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](CC(=O)OC)C1CC1 ZINC000876703357 590231622 /nfs/dbraw/zinc/23/16/22/590231622.db2.gz DEHSTSVKBWEYJN-SCZZXKLOSA-N 0 3 242.319 0.442 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@](C)(CC)CC(=O)OC ZINC000876700714 590231631 /nfs/dbraw/zinc/23/16/31/590231631.db2.gz IIILQMNXMAPANL-CABZTGNLSA-N 0 3 244.335 0.832 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](CC(=O)OC)C1CC1 ZINC000876703359 590231652 /nfs/dbraw/zinc/23/16/52/590231652.db2.gz DEHSTSVKBWEYJN-WPRPVWTQSA-N 0 3 242.319 0.442 20 0 BCADHN CCN[C@H](C)C(=O)NCCOc1cccnc1 ZINC000876743702 590236398 /nfs/dbraw/zinc/23/63/98/590236398.db2.gz HNABXUITSBDDBI-SNVBAGLBSA-N 0 3 237.303 0.575 20 0 BCADHN CO[C@H]1CN[C@](C)(C(=O)N(C)c2cn[nH]c2)C1 ZINC000876779043 590240323 /nfs/dbraw/zinc/24/03/23/590240323.db2.gz VCIWBIOVWLZYFX-KOLCDFICSA-N 0 3 238.291 0.140 20 0 BCADHN CC[C@H](C(=O)N1CCNC[C@H]1C(F)F)N(C)C ZINC000876851211 590249385 /nfs/dbraw/zinc/24/93/85/590249385.db2.gz FDTNJWCSNIVKTD-BDAKNGLRSA-N 0 3 249.305 0.392 20 0 BCADHN COC1CC(C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000876865297 590251255 /nfs/dbraw/zinc/25/12/55/590251255.db2.gz XGNYRRBRUCKAKW-HACHORDNSA-N 0 3 248.273 0.525 20 0 BCADHN Cc1nocc1C(=O)N[C@@H]1CNCCC1(F)F ZINC000876866357 590251692 /nfs/dbraw/zinc/25/16/92/590251692.db2.gz RYQZALHNKIMAFR-MRVPVSSYSA-N 0 3 245.229 0.710 20 0 BCADHN CC1=C(C(=O)NC[C@@H]2CNCCO2)CCCO1 ZINC000876916807 590256844 /nfs/dbraw/zinc/25/68/44/590256844.db2.gz HFDPOENNFNANLR-JTQLQIEISA-N 0 3 240.303 0.175 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876924521 590257658 /nfs/dbraw/zinc/25/76/58/590257658.db2.gz OJFFBVVOVPKWDK-LBPRGKRZSA-N 0 3 248.286 0.150 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000876952260 590260208 /nfs/dbraw/zinc/26/02/08/590260208.db2.gz ZNSZRSJDXKOPKM-WCBMZHEXSA-N 0 3 247.289 0.133 20 0 BCADHN Nc1c(F)cccc1CNC[C@H]1COCCO1 ZINC000876951925 590260538 /nfs/dbraw/zinc/26/05/38/590260538.db2.gz RWDNXFUCCDKTAC-JTQLQIEISA-N 0 3 240.278 0.913 20 0 BCADHN CCn1ncc(CNC(=O)[C@@H]2CCCCN2)n1 ZINC000876989658 590265851 /nfs/dbraw/zinc/26/58/51/590265851.db2.gz BKRKJPXMAAXONP-JTQLQIEISA-N 0 3 237.307 0.056 20 0 BCADHN COC(=O)C1=CC[C@@H](NC(=O)[C@H](N)C(C)C)C1 ZINC000876999875 590267336 /nfs/dbraw/zinc/26/73/36/590267336.db2.gz IADBUHZBBFWLDZ-NXEZZACHSA-N 0 3 240.303 0.348 20 0 BCADHN CC1(C)OC[C@@H]2C[C@@]21NC(=O)[C@@]1(F)CCNC1 ZINC000877004807 590267847 /nfs/dbraw/zinc/26/78/47/590267847.db2.gz SFAWJLYNVJHDDT-XXILOJSOSA-N 0 3 242.294 0.372 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H]1CC=C(C(=O)OC)C1 ZINC000877002413 590268104 /nfs/dbraw/zinc/26/81/04/590268104.db2.gz ULJMQGGIOJVHGL-WPRPVWTQSA-N 0 3 240.303 0.362 20 0 BCADHN C[C@H](NC1CC1)C(=O)Nc1cnn(CCF)c1 ZINC000877012801 590268745 /nfs/dbraw/zinc/26/87/45/590268745.db2.gz DZHNSKDIIGVYOF-QMMMGPOBSA-N 0 3 240.282 0.932 20 0 BCADHN CCOC(=O)C1=CC[C@H](NC(=O)[C@H](N)CC)C1 ZINC000877028761 590271692 /nfs/dbraw/zinc/27/16/92/590271692.db2.gz ZTCQLBARYSDISB-VHSXEESVSA-N 0 3 240.303 0.492 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000877043486 590274055 /nfs/dbraw/zinc/27/40/55/590274055.db2.gz KHYPWSFQJZTNCQ-DSPMHBFJSA-N 0 3 244.310 0.616 20 0 BCADHN O=C(N[C@@H]1CO[C@@H](C2CC2)C1)[C@@]1(F)CCNC1 ZINC000877065801 590276669 /nfs/dbraw/zinc/27/66/69/590276669.db2.gz WNINYXXZPLCNEL-HOSYDEDBSA-N 0 3 242.294 0.372 20 0 BCADHN O=C(N1CCO[C@H](CCF)C1)[C@]1(F)CCNC1 ZINC000877061516 590276974 /nfs/dbraw/zinc/27/69/74/590276974.db2.gz JUUIPAAWKNKVFG-KOLCDFICSA-N 0 3 248.273 0.275 20 0 BCADHN O=C1C[C@H](NCc2cccc(F)n2)CCCN1 ZINC000877115309 590287880 /nfs/dbraw/zinc/28/78/80/590287880.db2.gz MACMPEAIKOOIEV-SECBINFHSA-N 0 3 237.278 0.979 20 0 BCADHN CO[C@@H](CNCC1(C)OCCO1)[C@@H]1CCOC1 ZINC000877117904 590288537 /nfs/dbraw/zinc/28/85/37/590288537.db2.gz CVBPCJWMNGSDFR-MNOVXSKESA-N 0 3 245.319 0.391 20 0 BCADHN O=C(NCC[C@H]1CCSC1)[C@]1(F)CCNC1 ZINC000877123577 590289457 /nfs/dbraw/zinc/28/94/57/590289457.db2.gz ZWWRXUIKZSPXAB-ONGXEEELSA-N 0 3 246.351 0.947 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@@H](C)c1nccc(N)n1 ZINC000877145140 590292074 /nfs/dbraw/zinc/29/20/74/590292074.db2.gz DMGQDMHJKSSKET-YUMQZZPRSA-N 0 3 249.318 0.377 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877176178 590296583 /nfs/dbraw/zinc/29/65/83/590296583.db2.gz CCZAYTMNTLOTRB-PYZHKEBXSA-N 0 3 238.331 0.509 20 0 BCADHN CCNCC(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877176198 590296858 /nfs/dbraw/zinc/29/68/58/590296858.db2.gz CHWOUPOCEMYCJJ-ORZSEXNPSA-N 0 3 224.304 0.136 20 0 BCADHN O=C(CN1CCNCC1)N[C@H]1CCCC[C@H]1F ZINC000877178875 590297667 /nfs/dbraw/zinc/29/76/67/590297667.db2.gz CCCQTRYIWISBOM-MNOVXSKESA-N 0 3 243.326 0.289 20 0 BCADHN CCNCC(=O)Nc1cnn2c1CCCC2 ZINC000877196856 590299824 /nfs/dbraw/zinc/29/98/24/590299824.db2.gz LJDVPYQIIWDNMB-UHFFFAOYSA-N 0 3 222.292 0.767 20 0 BCADHN NC1(C(=O)NCc2ccnc(F)c2)CCC1 ZINC000877201787 590300780 /nfs/dbraw/zinc/30/07/80/590300780.db2.gz QRSIQUBQBLZMFB-UHFFFAOYSA-N 0 3 223.251 0.718 20 0 BCADHN CC1(C)C[C@@H](O)CN(C(=O)[C@H]2CCCCN2)C1 ZINC000877249606 590303529 /nfs/dbraw/zinc/30/35/29/590303529.db2.gz ALERYCWVLDZEMB-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN CCN[C@@H](C)C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000877251640 590303597 /nfs/dbraw/zinc/30/35/97/590303597.db2.gz SKDQEFLIQDQHSO-UWVGGRQHSA-N 0 3 228.336 0.604 20 0 BCADHN CCNCC(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000877250577 590303620 /nfs/dbraw/zinc/30/36/20/590303620.db2.gz QEPOSEVDVTWVRJ-UWVGGRQHSA-N 0 3 228.361 0.807 20 0 BCADHN CCNCC(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000877250477 590303755 /nfs/dbraw/zinc/30/37/55/590303755.db2.gz QEPOSEVDVTWVRJ-NXEZZACHSA-N 0 3 228.361 0.807 20 0 BCADHN NCC(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000877249166 590303904 /nfs/dbraw/zinc/30/39/04/590303904.db2.gz IMABZDICCBDBLV-HTQZYQBOSA-N 0 3 200.307 0.157 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCCCN1)c1ccnn1C ZINC000877263881 590304657 /nfs/dbraw/zinc/30/46/57/590304657.db2.gz FRMGNXDRUZXZOF-ZJUUUORDSA-N 0 3 236.319 0.739 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1ccn(CCF)n1 ZINC000877263961 590304661 /nfs/dbraw/zinc/30/46/61/590304661.db2.gz GNXZTMLTDHFJCK-QMMMGPOBSA-N 0 3 228.271 0.789 20 0 BCADHN CNCC(=O)NCc1noc2cc(F)ccc21 ZINC000877264700 590305134 /nfs/dbraw/zinc/30/51/34/590305134.db2.gz WICKJNRETSNMGX-UHFFFAOYSA-N 0 3 237.234 0.803 20 0 BCADHN O=C([C@H]1CCCCN1)N1CCO[C@@H](C(F)F)C1 ZINC000877301193 590309268 /nfs/dbraw/zinc/30/92/68/590309268.db2.gz PLPSBJFNFCYLTH-RKDXNWHRSA-N 0 3 248.273 0.621 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877308827 590310853 /nfs/dbraw/zinc/31/08/53/590310853.db2.gz CWJOGTRWDFEBSI-JXUBOQSCSA-N 0 3 212.293 0.407 20 0 BCADHN CNCC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877310240 590312469 /nfs/dbraw/zinc/31/24/69/590312469.db2.gz JFIXFQTVRQXBOG-GUBZILKMSA-N 0 3 212.293 0.280 20 0 BCADHN C[C@H](N)C(=O)NCc1cc(N)cc(F)c1 ZINC000877324991 590317342 /nfs/dbraw/zinc/31/73/42/590317342.db2.gz AGOHIQBCZOVULN-LURJTMIESA-N 0 3 211.240 0.371 20 0 BCADHN CC1(C)OCC(N[C@@H]2CCCNC(=O)C2)CO1 ZINC000877339226 590318011 /nfs/dbraw/zinc/31/80/11/590318011.db2.gz VMIMGQFPHAIRQF-SECBINFHSA-N 0 3 242.319 0.396 20 0 BCADHN COC(=O)CC[C@@H]1CCCN(C(=O)CN)C1 ZINC000877381562 590320690 /nfs/dbraw/zinc/32/06/90/590320690.db2.gz IVQJLOYXWHNQGD-VIFPVBQESA-N 0 3 228.292 0.137 20 0 BCADHN CNCC(=O)NC1CC(Nc2ccccc2)C1 ZINC000877433218 590327226 /nfs/dbraw/zinc/32/72/26/590327226.db2.gz MNCJYTPEFGLKLN-UHFFFAOYSA-N 0 3 233.315 0.965 20 0 BCADHN CC[C@@H](NC(=O)[C@@]1(F)CCNC1)C(F)F ZINC000877456140 590330378 /nfs/dbraw/zinc/33/03/78/590330378.db2.gz PUABBCWVCUFUJE-HZGVNTEJSA-N 0 3 224.226 0.848 20 0 BCADHN Nc1c(Cl)cccc1CNC[C@@H](O)CO ZINC000877462518 590332363 /nfs/dbraw/zinc/33/23/63/590332363.db2.gz SEGWNGVHYDRCCU-MRVPVSSYSA-N 0 3 230.695 0.365 20 0 BCADHN OCCCCNCc1ccc(Cl)nn1 ZINC000877482706 590337972 /nfs/dbraw/zinc/33/79/72/590337972.db2.gz FBIQJQNJECGSOZ-UHFFFAOYSA-N 0 3 215.684 0.992 20 0 BCADHN CN(CCC(N)=O)Cc1cnc2c(cnn2C)c1 ZINC000877520702 590345866 /nfs/dbraw/zinc/34/58/66/590345866.db2.gz FVOQGWOUFWLWPE-UHFFFAOYSA-N 0 3 247.302 0.276 20 0 BCADHN CCCn1cc(CN(C)CCN(C)C)nn1 ZINC000877522493 590347357 /nfs/dbraw/zinc/34/73/57/590347357.db2.gz AMRMYAQHMVIJCY-UHFFFAOYSA-N 0 3 225.340 0.682 20 0 BCADHN CC(C)S(=O)(=O)CCNCCC[C@H]1CCO1 ZINC000877537239 590350725 /nfs/dbraw/zinc/35/07/25/590350725.db2.gz JXXRQCFIXNHMKT-NSHDSACASA-N 0 3 249.376 0.968 20 0 BCADHN CO[C@@H](CN1CC2(C1)CCOC2)[C@H]1CCOC1 ZINC000877554048 590356503 /nfs/dbraw/zinc/35/65/03/590356503.db2.gz CLCDYYGJEAOURZ-RYUDHWBXSA-N 0 3 241.331 0.760 20 0 BCADHN CCC[C@@H](CNCC(=O)N(CC)OC)OC ZINC000877606861 590372131 /nfs/dbraw/zinc/37/21/31/590372131.db2.gz NFVFQBOJVYTHSJ-JTQLQIEISA-N 0 3 232.324 0.801 20 0 BCADHN CCON(C)C(=O)CN[C@H](C)[C@@H]1CCCCO1 ZINC000877611988 590372391 /nfs/dbraw/zinc/37/23/91/590372391.db2.gz JEOKPCXRKARKRR-MNOVXSKESA-N 0 3 244.335 0.944 20 0 BCADHN CCC[C@H](CNCC(=O)N(C)OCC)OC ZINC000877612673 590373045 /nfs/dbraw/zinc/37/30/45/590373045.db2.gz UHMWLESHDGMHFI-SNVBAGLBSA-N 0 3 232.324 0.801 20 0 BCADHN c1nc2cnccn2c1CNC1CSC1 ZINC000877634813 590379757 /nfs/dbraw/zinc/37/97/57/590379757.db2.gz UTTYPUSQEYBIPN-UHFFFAOYSA-N 0 3 220.301 0.934 20 0 BCADHN CC[C@](C)(CN1CCCN(C=O)CC1)OC ZINC000877642877 590382772 /nfs/dbraw/zinc/38/27/72/590382772.db2.gz WCBHZXVDJHSULF-GFCCVEGCSA-N 0 3 228.336 0.966 20 0 BCADHN CCON(CC)C(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000877651222 590385322 /nfs/dbraw/zinc/38/53/22/590385322.db2.gz SYPBYHLMQCUAOW-GHMZBOCLSA-N 0 3 244.335 0.944 20 0 BCADHN CON(C)C(=O)[C@H](C)NCCC[C@H]1CCO1 ZINC000877659544 590385722 /nfs/dbraw/zinc/38/57/22/590385722.db2.gz VYOOXIFEHUFTKV-UWVGGRQHSA-N 0 3 230.308 0.553 20 0 BCADHN Cn1ncnc1CN1CCN(C)C(C)(C)CC1 ZINC000877701642 590394500 /nfs/dbraw/zinc/39/45/00/590394500.db2.gz SCFDDOSDIYNJID-UHFFFAOYSA-N 0 3 237.351 0.731 20 0 BCADHN Cn1cc(CN2CCN(C)C(C)(C)CC2)nn1 ZINC000877701466 590394967 /nfs/dbraw/zinc/39/49/67/590394967.db2.gz XICROPORTKOWDR-UHFFFAOYSA-N 0 3 237.351 0.731 20 0 BCADHN CN(Cc1cnn(C)n1)[C@H]1CN2CCC1CC2 ZINC000877706179 590397226 /nfs/dbraw/zinc/39/72/26/590397226.db2.gz HNHPHBZNFIMWTB-LBPRGKRZSA-N 0 3 235.335 0.341 20 0 BCADHN COC(=O)C1=NO[C@]2(CCN(CC3CC3)C2)C1 ZINC000877714645 590398653 /nfs/dbraw/zinc/39/86/53/590398653.db2.gz PHXCLAYZGDJJCL-GFCCVEGCSA-N 0 3 238.287 0.790 20 0 BCADHN Cc1ccoc1CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877721075 590400380 /nfs/dbraw/zinc/40/03/80/590400380.db2.gz VFKSEEOAAOPZDY-AOOOYVTPSA-N 0 3 248.282 0.635 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1CNC1CSC1 ZINC000877727766 590403189 /nfs/dbraw/zinc/40/31/89/590403189.db2.gz YGBWWDBKLOJLSG-VXNVDRBHSA-N 0 3 231.317 0.270 20 0 BCADHN Cn1nncc1CN1CC[C@H]2CSC[C@H]2C1 ZINC000877738878 590407405 /nfs/dbraw/zinc/40/74/05/590407405.db2.gz MQHNPXVWRSFNLE-VHSXEESVSA-N 0 3 238.360 1.000 20 0 BCADHN O[C@@H]1CCN(C[C@H]2CCC=CO2)C[C@@H]1O ZINC000877748901 590412623 /nfs/dbraw/zinc/41/26/23/590412623.db2.gz DQYBYGFQHKHWLC-MXWKQRLJSA-N 0 3 213.277 0.107 20 0 BCADHN CO[C@@H](CC(C)C)CN1CC[C@@H](O)[C@@H](O)C1 ZINC000877750475 590414072 /nfs/dbraw/zinc/41/40/72/590414072.db2.gz QHWQMDDGUGAALI-TUAOUCFPSA-N 0 3 231.336 0.475 20 0 BCADHN CCSCCN1CCC(CO)(CO)CC1 ZINC000877798388 590425184 /nfs/dbraw/zinc/42/51/84/590425184.db2.gz PKTNKEBRGVHJGD-UHFFFAOYSA-N 0 3 233.377 0.806 20 0 BCADHN CCC[C@H]1NC(=O)N(C[C@H](C)N(C)C)C1=O ZINC000877873983 590434774 /nfs/dbraw/zinc/43/47/74/590434774.db2.gz DKKRESCTMCXFOU-DTWKUNHWSA-N 0 3 227.308 0.657 20 0 BCADHN CC(C)[C@H]1NC(=O)N(C[C@H](C)N(C)C)C1=O ZINC000877875064 590435394 /nfs/dbraw/zinc/43/53/94/590435394.db2.gz STIMCDZAQJCZCH-DTWKUNHWSA-N 0 3 227.308 0.513 20 0 BCADHN C[C@@H](CN1C(=O)[C@@H]2CSCN2C1=O)N(C)C ZINC000877889596 590440308 /nfs/dbraw/zinc/44/03/08/590440308.db2.gz IWVHLIYDSWODRR-YUMQZZPRSA-N 0 3 243.332 0.274 20 0 BCADHN CO[C@H]1C[C@@H](CN(C)CC(=O)N2CCCC2)C1 ZINC000877893606 590441500 /nfs/dbraw/zinc/44/15/00/590441500.db2.gz UBYUDTUYDTVIRH-TXEJJXNPSA-N 0 3 240.347 0.966 20 0 BCADHN CC(=O)N1CCCN(CC[C@@H](O)C(C)C)CC1 ZINC000877895943 590441908 /nfs/dbraw/zinc/44/19/08/590441908.db2.gz ZXKXYZGENWZHTN-CYBMUJFWSA-N 0 3 242.363 0.948 20 0 BCADHN Cn1nnnc1CCN1CCc2ccccc2C1 ZINC000877901520 590443457 /nfs/dbraw/zinc/44/34/57/590443457.db2.gz NMSYSJNABVIVFS-UHFFFAOYSA-N 0 3 243.314 0.811 20 0 BCADHN CC(C)[C@@H](O)CCN(CC(N)=O)C(C)C ZINC000877922618 590448130 /nfs/dbraw/zinc/44/81/30/590448130.db2.gz FDXALZFJXKRUQJ-JTQLQIEISA-N 0 3 216.325 0.589 20 0 BCADHN CC(C)[C@@H](O)CCN1CCC[C@H]1C(=O)N(C)C ZINC000877944512 590454173 /nfs/dbraw/zinc/45/41/73/590454173.db2.gz YASVHRCFYQOXMZ-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN CN1CCC(NC(=O)CN2CCCCC2)CC1 ZINC000877945337 590454923 /nfs/dbraw/zinc/45/49/23/590454923.db2.gz TUDVACPLCRQIOZ-UHFFFAOYSA-N 0 3 239.363 0.683 20 0 BCADHN CC(C)[C@@H](O)CCN(CCO)C1CC1 ZINC000877961794 590459300 /nfs/dbraw/zinc/45/93/00/590459300.db2.gz SPDLBTSDMKJQTK-NSHDSACASA-N 0 3 201.310 0.850 20 0 BCADHN CC(C)(O)C[C@H](O)CN1CCC(CO)CC1 ZINC000877960805 590458043 /nfs/dbraw/zinc/45/80/43/590458043.db2.gz CMMOAKBWUTVQOV-NSHDSACASA-N 0 3 231.336 0.213 20 0 BCADHN CN(C[C@H](O)CC(C)(C)O)C[C@H]1CCCO1 ZINC000877972774 590462814 /nfs/dbraw/zinc/46/28/14/590462814.db2.gz NXUJZXGHQFEBNY-GHMZBOCLSA-N 0 3 231.336 0.619 20 0 BCADHN CN(C[C@@H](O)CC(C)(C)O)C[C@H]1CCCO1 ZINC000877972777 590463600 /nfs/dbraw/zinc/46/36/00/590463600.db2.gz NXUJZXGHQFEBNY-WDEREUQCSA-N 0 3 231.336 0.619 20 0 BCADHN CCNC(=O)CN(C)C[C@H]1C[C@@H](OC)C1 ZINC000877974532 590464098 /nfs/dbraw/zinc/46/40/98/590464098.db2.gz XXGLLKCMCSONFV-AOOOYVTPSA-N 0 3 214.309 0.479 20 0 BCADHN CCCN(CC[C@@H](O)C(C)C)CC(=O)NC ZINC000877986679 590465955 /nfs/dbraw/zinc/46/59/55/590465955.db2.gz RTCIODXLFXKLMS-LLVKDONJSA-N 0 3 230.352 0.851 20 0 BCADHN CCN(CCCOC(F)(F)F)CC(=O)NC ZINC000877985948 590466227 /nfs/dbraw/zinc/46/62/27/590466227.db2.gz CYMMZLMCBQOCKE-UHFFFAOYSA-N 0 3 242.241 0.981 20 0 BCADHN CN(CCn1cnnn1)C1Cc2ccccc2C1 ZINC000877991578 590467398 /nfs/dbraw/zinc/46/73/98/590467398.db2.gz BTPVQOHJCPYGSJ-UHFFFAOYSA-N 0 3 243.314 0.772 20 0 BCADHN COCCN(CCO)CC[C@H](O)C(C)C ZINC000878040165 590478161 /nfs/dbraw/zinc/47/81/61/590478161.db2.gz IQDYHPLAASFMKP-NSHDSACASA-N 0 3 219.325 0.334 20 0 BCADHN O=C1CCN(C[C@@H]2CC3(CCC3)CO2)CCN1 ZINC000878049643 590482498 /nfs/dbraw/zinc/48/24/98/590482498.db2.gz KSSPLCIXYWLXPL-NSHDSACASA-N 0 3 238.331 0.768 20 0 BCADHN OCC1(C[C@H](O)CN2CC[C@H](O)C2)CCCC1 ZINC000878053654 590483677 /nfs/dbraw/zinc/48/36/77/590483677.db2.gz KKQHYCIBBLGBGG-RYUDHWBXSA-N 0 3 243.347 0.357 20 0 BCADHN O[C@H]1CCN(C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000878053874 590483722 /nfs/dbraw/zinc/48/37/22/590483722.db2.gz SMCMPDXWBVPINB-RYUDHWBXSA-N 0 3 241.331 0.781 20 0 BCADHN COCCN(C[C@H]1C[C@@H](OC)C1)[C@@H](C)C(N)=O ZINC000878079925 590488801 /nfs/dbraw/zinc/48/88/01/590488801.db2.gz PHCQJXBUAKFMGE-GARJFASQSA-N 0 3 244.335 0.234 20 0 BCADHN CC(C)[C@@H](O)CCN(CCO)CCCO ZINC000878095477 590492022 /nfs/dbraw/zinc/49/20/22/590492022.db2.gz YSNUURUEQCMPOU-NSHDSACASA-N 0 3 219.325 0.070 20 0 BCADHN CCCCCN(CCO)CCc1nnnn1C ZINC000878099935 590493787 /nfs/dbraw/zinc/49/37/87/590493787.db2.gz XMBRYGHXISPSRT-UHFFFAOYSA-N 0 3 241.339 0.237 20 0 BCADHN C=C/C=C\CCN1CC[C@H](NS(C)(=O)=O)C1 ZINC000878112879 590497258 /nfs/dbraw/zinc/49/72/58/590497258.db2.gz XFCAHNOXJBUPQT-WYGGZMRJSA-N 0 3 244.360 0.742 20 0 BCADHN c1nnnn1CCN1CCc2ccccc2CC1 ZINC000878112030 590497304 /nfs/dbraw/zinc/49/73/04/590497304.db2.gz WRWJCEQMNFXFOK-UHFFFAOYSA-N 0 3 243.314 0.774 20 0 BCADHN OC[C@@H]1CCN(C[C@@H](O)CC2(O)CCCC2)C1 ZINC000878126705 590501338 /nfs/dbraw/zinc/50/13/38/590501338.db2.gz YWUIGNDHMOBBJC-NEPJUHHUSA-N 0 3 243.347 0.357 20 0 BCADHN CC(C)[C@H]1CN(CCn2cnnn2)CCS1 ZINC000878150611 590507061 /nfs/dbraw/zinc/50/70/61/590507061.db2.gz FQPDXIOMHLMUQM-SNVBAGLBSA-N 0 3 241.364 0.747 20 0 BCADHN CC[C@H]1CN(CCn2cnnn2)CCS1 ZINC000878151879 590507433 /nfs/dbraw/zinc/50/74/33/590507433.db2.gz REROVXQYEHBWIK-VIFPVBQESA-N 0 3 227.337 0.501 20 0 BCADHN CC1(C)CCC[C@H](CN2C[C@H](O)C[C@H](O)C2)O1 ZINC000878156358 590509203 /nfs/dbraw/zinc/50/92/03/590509203.db2.gz PUFWJNRHFXJUCB-GRYCIOLGSA-N 0 3 243.347 0.762 20 0 BCADHN C=C/C=C/CCN1CCN2C(=O)NC[C@H]2C1 ZINC000878173873 590515131 /nfs/dbraw/zinc/51/51/31/590515131.db2.gz DAUZEIOMIUVZKU-UFFNRZRYSA-N 0 3 221.304 0.828 20 0 BCADHN CN(C[C@H](O)CC(C)(C)O)C[C@H](O)C1CC1 ZINC000878175453 590516026 /nfs/dbraw/zinc/51/60/26/590516026.db2.gz SAHZGPMWFKHPOI-MNOVXSKESA-N 0 3 231.336 0.211 20 0 BCADHN CCN(C#N)CCN1CCC(c2nc[nH]n2)CC1 ZINC000878177155 590516399 /nfs/dbraw/zinc/51/63/99/590516399.db2.gz TWAYXLCJUFMHIC-UHFFFAOYSA-N 0 3 248.334 0.787 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCN(C(C)=O)C[C@H]2C)C1 ZINC000878194632 590521504 /nfs/dbraw/zinc/52/15/04/590521504.db2.gz HOPHSLZFBGFVSM-RTXFEEFZSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)C ZINC000878197401 590523024 /nfs/dbraw/zinc/52/30/24/590523024.db2.gz HGAWMHPIYNSEKJ-NOOOWODRSA-N 0 3 240.347 0.868 20 0 BCADHN Cn1cccc1[C@H]1CCCN1CCn1cnnn1 ZINC000878204308 590523767 /nfs/dbraw/zinc/52/37/67/590523767.db2.gz MLNTUWMALVPIIJ-GFCCVEGCSA-N 0 3 246.318 0.849 20 0 BCADHN Cn1cccc1[C@@H]1CCCN1CCn1cnnn1 ZINC000878204309 590524205 /nfs/dbraw/zinc/52/42/05/590524205.db2.gz MLNTUWMALVPIIJ-LBPRGKRZSA-N 0 3 246.318 0.849 20 0 BCADHN COCCN(C)CCCNC(=O)COC1CC1 ZINC000878222099 590526110 /nfs/dbraw/zinc/52/61/10/590526110.db2.gz ZAXVKIFLPLELQI-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN C[C@H](NCc1nnc2c(=O)[nH]ccn12)C(C)(C)C ZINC000878245948 590527926 /nfs/dbraw/zinc/52/79/26/590527926.db2.gz HDILSXYKEBQVSM-QMMMGPOBSA-N 0 3 249.318 0.942 20 0 BCADHN CSCC[C@H](C)N(C)CCc1nnnn1C ZINC000878250722 590529933 /nfs/dbraw/zinc/52/99/33/590529933.db2.gz OCIBMBATTFFVOI-VIFPVBQESA-N 0 3 243.380 0.826 20 0 BCADHN CCOC(CNC(C)(C)CC(N)=O)OCC ZINC000127008346 590533280 /nfs/dbraw/zinc/53/32/80/590533280.db2.gz YTDBOZZFXVYALY-UHFFFAOYSA-N 0 3 232.324 0.629 20 0 BCADHN C[C@@H]1COCCN(C[C@H]2CCc3ncnn32)C1 ZINC000878298558 590537284 /nfs/dbraw/zinc/53/72/84/590537284.db2.gz JBRNIJMAUFWHLK-WDEREUQCSA-N 0 3 236.319 0.734 20 0 BCADHN C[C@@H](c1ccccn1)N(C)CCc1nnnn1C ZINC000878314094 590540623 /nfs/dbraw/zinc/54/06/23/590540623.db2.gz PEFFVJNIYLXFQL-JTQLQIEISA-N 0 3 246.318 0.841 20 0 BCADHN CC[C@@H](CSC)N(C)CCn1cnnn1 ZINC000878343504 590552905 /nfs/dbraw/zinc/55/29/05/590552905.db2.gz DBCQNOGOBBDROG-VIFPVBQESA-N 0 3 229.353 0.747 20 0 BCADHN NC(=O)C1(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000878386491 590559112 /nfs/dbraw/zinc/55/91/12/590559112.db2.gz ZUFXWQDYKKWUEM-LPEHRKFASA-N 0 3 224.304 0.552 20 0 BCADHN Cc1ccccc1[C@H](CO)NCCn1cnnn1 ZINC000878396140 590559435 /nfs/dbraw/zinc/55/94/35/590559435.db2.gz HHANZIUFEXCOOK-LBPRGKRZSA-N 0 3 247.302 0.305 20 0 BCADHN CC(C)[C@H](O)CCN(C)[C@@]1(CO)CCOC1 ZINC000878395372 590559951 /nfs/dbraw/zinc/55/99/51/590559951.db2.gz BPHSDBJPWUONLS-VXGBXAGGSA-N 0 3 231.336 0.477 20 0 BCADHN Cc1ccncc1[C@@H](C)NCCn1cnnn1 ZINC000878403032 590560179 /nfs/dbraw/zinc/56/01/79/590560179.db2.gz LSJRCSNGUYAHBJ-SNVBAGLBSA-N 0 3 232.291 0.727 20 0 BCADHN O=C1[C@@H](N[C@@H](CO)C2CC2)CCN1C1CCC1 ZINC000878419911 590564406 /nfs/dbraw/zinc/56/44/06/590564406.db2.gz KIDWXCJPAZCJBL-RYUDHWBXSA-N 0 3 238.331 0.500 20 0 BCADHN CCN1CCCN(C[C@H]2C[C@@H](OC)C2)CC1=O ZINC000878495674 590579378 /nfs/dbraw/zinc/57/93/78/590579378.db2.gz LHQLSJBLZMALER-TXEJJXNPSA-N 0 3 240.347 0.966 20 0 BCADHN COC(=O)[C@@H]1CCN(CCc2cnccn2)[C@H]1C ZINC000878492282 590579741 /nfs/dbraw/zinc/57/97/41/590579741.db2.gz FLHZWLVNCDVPCV-CMPLNLGQSA-N 0 3 249.314 0.903 20 0 BCADHN CCN(CCCOC(F)(F)F)CC(N)=O ZINC000878499091 590580709 /nfs/dbraw/zinc/58/07/09/590580709.db2.gz KTPCVFBTSQXEDS-UHFFFAOYSA-N 0 3 228.214 0.720 20 0 BCADHN C[C@H]1CCC[C@H]1NCc1nnc2c(=O)[nH]ccn12 ZINC000878507285 590583076 /nfs/dbraw/zinc/58/30/76/590583076.db2.gz LHKNKWQSGMKYAX-DTWKUNHWSA-N 0 3 247.302 0.696 20 0 BCADHN C[C@@H]1CCN(CCc2nnnn2C)CCS1 ZINC000878510520 590584061 /nfs/dbraw/zinc/58/40/61/590584061.db2.gz OMNNQSDAVWEULK-SECBINFHSA-N 0 3 241.364 0.580 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1C[C@H](O)C(C)(C)C1 ZINC000878532109 590587147 /nfs/dbraw/zinc/58/71/47/590587147.db2.gz PGSMCUHVBNJOKJ-ZJUUUORDSA-N 0 3 231.336 0.211 20 0 BCADHN CC1=CCCN(CCc2nnnn2C)C1 ZINC000878548957 590590461 /nfs/dbraw/zinc/59/04/61/590590461.db2.gz ZSLIHLSOEMFONB-UHFFFAOYSA-N 0 3 207.281 0.405 20 0 BCADHN CCN(C[C@H]1C[C@@H](OC)C1)[C@@H]1CCNC1=O ZINC000878556868 590592422 /nfs/dbraw/zinc/59/24/22/590592422.db2.gz VUGBKZGCGGKQGX-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@H]1C[C@@H](CN2CC[C@@](F)(CO)C2)C1 ZINC000878568742 590592798 /nfs/dbraw/zinc/59/27/98/590592798.db2.gz OHASXROZMCEFAH-AXFHLTTASA-N 0 3 217.284 0.818 20 0 BCADHN CCN1CCN(C[C@H](O)CC(C)(C)O)[C@H](C)C1 ZINC000878603692 590593705 /nfs/dbraw/zinc/59/37/05/590593705.db2.gz GKXWYPIPGYBOPE-VXGBXAGGSA-N 0 3 244.379 0.534 20 0 BCADHN CO[C@H](C)CN(C)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000878613457 590596601 /nfs/dbraw/zinc/59/66/01/590596601.db2.gz OCDYFZPRJLKVDR-RTXFEEFZSA-N 0 3 245.363 0.865 20 0 BCADHN CC(C)[C@@H](O)CCN1CCCN(C=O)CC1 ZINC000878638785 590599013 /nfs/dbraw/zinc/59/90/13/590599013.db2.gz WXGWLVGFKGFALN-LBPRGKRZSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1C[C@@H](O)CC(C)(C)O ZINC000878670791 590607519 /nfs/dbraw/zinc/60/75/19/590607519.db2.gz QRXCJZWNASOAIH-OUAUKWLOSA-N 0 3 231.336 0.354 20 0 BCADHN CO[C@H]1CCN(CCN2CCOC2=O)C[C@H]1C ZINC000878678798 590608519 /nfs/dbraw/zinc/60/85/19/590608519.db2.gz LGFKVVLIWULFJY-MNOVXSKESA-N 0 3 242.319 0.795 20 0 BCADHN CCn1cc([C@@H](C)NCCn2cnnn2)cn1 ZINC000878686232 590609666 /nfs/dbraw/zinc/60/96/66/590609666.db2.gz VVCCQIXZJLSYAS-SECBINFHSA-N 0 3 235.295 0.240 20 0 BCADHN CON1CCN(C[C@H]2CCO[C@@H]2C)CC1 ZINC000878686161 590609810 /nfs/dbraw/zinc/60/98/10/590609810.db2.gz ULLAKOWBFKODGU-GHMZBOCLSA-N 0 3 214.309 0.590 20 0 BCADHN NC(=O)C[C@@H]1COCCN1CCCC1CC1 ZINC000878693026 590610213 /nfs/dbraw/zinc/61/02/13/590610213.db2.gz JVXHKLMTQPNCOM-LLVKDONJSA-N 0 3 226.320 0.753 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1CCC[C@@H]2COC[C@@H]21 ZINC000878704275 590612459 /nfs/dbraw/zinc/61/24/59/590612459.db2.gz SINWJDYJTQBXOB-UTUOFQBUSA-N 0 3 243.347 0.619 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878705831 590612781 /nfs/dbraw/zinc/61/27/81/590612781.db2.gz JVPYJDBVUCDOJW-PJSNJIKXSA-N 0 3 241.331 0.947 20 0 BCADHN CC(C)[C@H](O)CCN1CC[C@H](O)[C@H](CO)C1 ZINC000878714202 590614216 /nfs/dbraw/zinc/61/42/16/590614216.db2.gz KLFXMHYQFKBEMF-TUAOUCFPSA-N 0 3 231.336 0.069 20 0 BCADHN CC(C)[C@H](O)CCN1CC[C@@H](O)[C@@H](CO)C1 ZINC000878714200 590614430 /nfs/dbraw/zinc/61/44/30/590614430.db2.gz KLFXMHYQFKBEMF-IJLUTSLNSA-N 0 3 231.336 0.069 20 0 BCADHN Cn1nccc1CN[C@H](CO)[C@@H]1CCCOC1 ZINC000878712832 590614718 /nfs/dbraw/zinc/61/47/18/590614718.db2.gz UUYIDXGAUBAMFQ-ZYHUDNBSSA-N 0 3 239.319 0.297 20 0 BCADHN COCCCCN(C)CCc1nnnn1C ZINC000878718451 590615501 /nfs/dbraw/zinc/61/55/01/590615501.db2.gz FLUCAUFEDPLRDI-UHFFFAOYSA-N 0 3 227.312 0.111 20 0 BCADHN CCN(CCc1nnnn1C)[C@H]1CCCOC1 ZINC000878806143 590625604 /nfs/dbraw/zinc/62/56/04/590625604.db2.gz XGOUIOZDHIDSEM-JTQLQIEISA-N 0 3 239.323 0.254 20 0 BCADHN CCN1[C@H](C)CN([C@@H]2CCOC2=O)C[C@@H]1C ZINC000878838040 590630391 /nfs/dbraw/zinc/63/03/91/590630391.db2.gz HMNJJSUXLIYOHQ-OUAUKWLOSA-N 0 3 226.320 0.716 20 0 BCADHN CCOC(CN1[C@@H](CO)CC[C@@H]1CO)OCC ZINC000878881571 590637648 /nfs/dbraw/zinc/63/76/48/590637648.db2.gz HXHJPRDVKAXMJB-GHMZBOCLSA-N 0 3 247.335 0.203 20 0 BCADHN CN(CC1=CCCOC1)C[C@@H](O)CC(C)(C)O ZINC000878937280 590654477 /nfs/dbraw/zinc/65/44/77/590654477.db2.gz REJMFYCYHBZQAB-LBPRGKRZSA-N 0 3 243.347 0.787 20 0 BCADHN CC(C)[C@@H](O)CCN1CCC(O)(CO)CC1 ZINC000878935079 590655160 /nfs/dbraw/zinc/65/51/60/590655160.db2.gz ADLFBKXQXJJRHQ-NSHDSACASA-N 0 3 231.336 0.213 20 0 BCADHN CC(C)[C@@H](O)CCN(C)C[C@@H]1COCCO1 ZINC000878935367 590655559 /nfs/dbraw/zinc/65/55/59/590655559.db2.gz JCDVNHHVFPKOGM-NEPJUHHUSA-N 0 3 231.336 0.741 20 0 BCADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)COC1CC1 ZINC000878947755 590658012 /nfs/dbraw/zinc/65/80/12/590658012.db2.gz STOIUCKMGRHEEF-CMPLNLGQSA-N 0 3 240.347 0.964 20 0 BCADHN CN(CCn1cnnn1)CC1=CCSC1 ZINC000878998375 590673618 /nfs/dbraw/zinc/67/36/18/590673618.db2.gz OBSQCPUCOILXDA-UHFFFAOYSA-N 0 3 225.321 0.278 20 0 BCADHN C[C@H](CN1C[C@H](O)C[C@H]1C(N)=O)C(C)(C)C ZINC000879013748 590678507 /nfs/dbraw/zinc/67/85/07/590678507.db2.gz PXEVVKRRYOGEDZ-BBBLOLIVSA-N 0 3 228.336 0.589 20 0 BCADHN FC1(F)CCCN(CCn2cnnn2)CC1 ZINC000879036111 590682534 /nfs/dbraw/zinc/68/25/34/590682534.db2.gz RVXOYIQYGFSZSD-UHFFFAOYSA-N 0 3 231.250 0.794 20 0 BCADHN C[C@@H](CO)CN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879041060 590684125 /nfs/dbraw/zinc/68/41/25/590684125.db2.gz AVHJDJCOFAQEQY-PSASIEDQSA-N 0 3 232.299 0.150 20 0 BCADHN Cn1nnnc1CCN(C1CC1)C1CC1 ZINC000879036883 590684482 /nfs/dbraw/zinc/68/44/82/590684482.db2.gz CCXKPQIQBUOOSK-UHFFFAOYSA-N 0 3 207.281 0.379 20 0 BCADHN C[C@@H](O)CCN1CCC([C@H](F)C(N)=O)CC1 ZINC000879040184 590684743 /nfs/dbraw/zinc/68/47/43/590684743.db2.gz AXWDUTUFQVAMCN-SCZZXKLOSA-N 0 3 232.299 0.293 20 0 BCADHN CC[C@H](O)CN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044154 590685237 /nfs/dbraw/zinc/68/52/37/590685237.db2.gz PXLHYHOKFFBTGF-VHSXEESVSA-N 0 3 232.299 0.293 20 0 BCADHN CCOCCN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879043116 590685589 /nfs/dbraw/zinc/68/55/89/590685589.db2.gz FCIXPCYURUVCAB-SNVBAGLBSA-N 0 3 232.299 0.558 20 0 BCADHN NC(=O)[C@H](F)C1CCN(CCCF)CC1 ZINC000879045146 590686065 /nfs/dbraw/zinc/68/60/65/590686065.db2.gz IHEBZDNNJKOGKZ-SECBINFHSA-N 0 3 220.263 0.881 20 0 BCADHN NC(=O)[C@@H](F)C1CCN(C[C@H]2CCCO2)CC1 ZINC000879046336 590686904 /nfs/dbraw/zinc/68/69/04/590686904.db2.gz ARBOQVDABCEKSJ-MNOVXSKESA-N 0 3 244.310 0.701 20 0 BCADHN CSC1CCN(CCn2cnnn2)CC1 ZINC000879100966 590698432 /nfs/dbraw/zinc/69/84/32/590698432.db2.gz YZYORBPUUQUDIQ-UHFFFAOYSA-N 0 3 227.337 0.501 20 0 BCADHN COC[C@](C)(CO)NC[C@@H]1COC(C)(C)O1 ZINC000879162683 590705790 /nfs/dbraw/zinc/70/57/90/590705790.db2.gz NLWYAGBFAMXTHS-KOLCDFICSA-N 0 3 233.308 0.125 20 0 BCADHN COC[C@@](C)(CO)NC[C@@H]1COC(C)(C)O1 ZINC000879162685 590706194 /nfs/dbraw/zinc/70/61/94/590706194.db2.gz NLWYAGBFAMXTHS-MWLCHTKSSA-N 0 3 233.308 0.125 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CCC(=O)O2)[C@](C)(CO)C1 ZINC000879260873 590722323 /nfs/dbraw/zinc/72/23/23/590722323.db2.gz BGKFRBXYYGYXBI-NHCYSSNCSA-N 0 3 243.303 0.164 20 0 BCADHN CC[C@]1(O)CCCN(C[C@H]2CCC(=O)O2)C1 ZINC000879313346 590736236 /nfs/dbraw/zinc/73/62/36/590736236.db2.gz IYTYZPSDDYTXLM-PWSUYJOCSA-N 0 3 227.304 0.929 20 0 BCADHN CO[C@@H]1CC[C@@H](C)N(CCN2CCNC2=O)C1 ZINC000879326109 590745475 /nfs/dbraw/zinc/74/54/75/590745475.db2.gz PQRFDUTVJUEQPS-GHMZBOCLSA-N 0 3 241.335 0.511 20 0 BCADHN CNC(=O)NC[C@H]1CCCCN1CCCOC ZINC000879333765 590749327 /nfs/dbraw/zinc/74/93/27/590749327.db2.gz FRMDKPWTVAVLIW-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN CNC(=O)NC[C@@H]1CCCCN1C[C@H](C)O ZINC000879334726 590750291 /nfs/dbraw/zinc/75/02/91/590750291.db2.gz MPHPLARJTUTVSW-UWVGGRQHSA-N 0 3 229.324 0.151 20 0 BCADHN CNC(=O)NC[C@@H]1CCCCN1C[C@@H](C)OC ZINC000879336920 590751439 /nfs/dbraw/zinc/75/14/39/590751439.db2.gz ZQRGEXGXMOBHKJ-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN CC1(F)CCN(CCn2cnnn2)CC1 ZINC000879383388 590757879 /nfs/dbraw/zinc/75/78/79/590757879.db2.gz LCDOKJHGCMLHMH-UHFFFAOYSA-N 0 3 213.260 0.497 20 0 BCADHN O[C@@H]1C[C@H]2C[C@@H](C1)N(CC1OCCO1)C2 ZINC000879390766 590759730 /nfs/dbraw/zinc/75/97/30/590759730.db2.gz CSWQLWQPVSPHTA-KXUCPTDWSA-N 0 3 213.277 0.205 20 0 BCADHN CC(C)(NCC(=O)NC(N)=O)[C@H]1CCCCO1 ZINC000879409156 590762939 /nfs/dbraw/zinc/76/29/39/590762939.db2.gz QRFFZYGGDQSFJW-MRVPVSSYSA-N 0 3 243.307 0.119 20 0 BCADHN CC(C)(NCC(=O)NC(N)=O)[C@@H]1CCCCO1 ZINC000879409157 590763674 /nfs/dbraw/zinc/76/36/74/590763674.db2.gz QRFFZYGGDQSFJW-QMMMGPOBSA-N 0 3 243.307 0.119 20 0 BCADHN O=C(CN1C[C@@H]2CC=CC[C@@H]2C1)N1CCNC1=O ZINC000879528283 590789067 /nfs/dbraw/zinc/78/90/67/590789067.db2.gz RRLQMLFJOSXDSI-PHIMTYICSA-N 0 3 249.314 0.436 20 0 BCADHN NC(=O)NC(=O)CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879528038 590790058 /nfs/dbraw/zinc/79/00/58/590790058.db2.gz JGSSWSBMRJNSIT-DTORHVGOSA-N 0 3 223.276 0.079 20 0 BCADHN CS(=O)(=O)NCCN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879528961 590791683 /nfs/dbraw/zinc/79/16/83/590791683.db2.gz OZOWARUIPWMLDB-PHIMTYICSA-N 0 3 244.360 0.434 20 0 BCADHN O=C(CN1CC[C@@H]2CSC[C@H]2C1)NC1CC1 ZINC000879555572 590799084 /nfs/dbraw/zinc/79/90/84/590799084.db2.gz OJQIBPAQBRDGNV-NXEZZACHSA-N 0 3 240.372 0.950 20 0 BCADHN c1n[nH]nc1CN1CC[C@H]2CSC[C@H]2C1 ZINC000879566145 590805687 /nfs/dbraw/zinc/80/56/87/590805687.db2.gz SHLYUPDGEMNFQD-DTWKUNHWSA-N 0 3 224.333 0.990 20 0 BCADHN CN1CC[C@H]2CN(CCS(C)(=O)=O)CC[C@H]21 ZINC000879566837 590805798 /nfs/dbraw/zinc/80/57/98/590805798.db2.gz IZSGPVKNQPVKIS-WDEREUQCSA-N 0 3 246.376 0.057 20 0 BCADHN COC(=O)[C@](C)(O)CN1C[C@@H](O)CC(C)(C)C1 ZINC000879624198 590825215 /nfs/dbraw/zinc/82/52/15/590825215.db2.gz OLXSEQQOBCWIGQ-JOYOIKCWSA-N 0 3 245.319 0.003 20 0 BCADHN CC1(C)CO[C@H](CN2CC[C@@H](O)[C@@H](O)C2)C1 ZINC000879608436 590828761 /nfs/dbraw/zinc/82/87/61/590828761.db2.gz DANVOEAMLKODIG-AXFHLTTASA-N 0 3 229.320 0.229 20 0 BCADHN O[C@@H](CC1CCCC1)CN1CC[C@@H](O)[C@@H](O)C1 ZINC000879609998 590829133 /nfs/dbraw/zinc/82/91/33/590829133.db2.gz LZQHHUXOTXFJIH-XQQFMLRXSA-N 0 3 243.347 0.355 20 0 BCADHN CCCCOCCN1CC[C@@H](O)[C@@H](O)C1 ZINC000879612521 590830333 /nfs/dbraw/zinc/83/03/33/590830333.db2.gz CSXCXGKNXAMEGK-MNOVXSKESA-N 0 3 217.309 0.231 20 0 BCADHN COC(=O)CCN1C[C@@H](O)CC(C)(C)C1 ZINC000879617797 590831981 /nfs/dbraw/zinc/83/19/81/590831981.db2.gz RJMKYYHQIDMQHP-VIFPVBQESA-N 0 3 215.293 0.642 20 0 BCADHN CC1(C)C[C@H](O)CN(CCN2CCNC2=O)C1 ZINC000879623541 590836253 /nfs/dbraw/zinc/83/62/53/590836253.db2.gz CPQNMJCYPZOQAL-JTQLQIEISA-N 0 3 241.335 0.104 20 0 BCADHN COC(=O)[C@](C)(O)CN1C[C@H](O)CC(C)(C)C1 ZINC000879624196 590838120 /nfs/dbraw/zinc/83/81/20/590838120.db2.gz OLXSEQQOBCWIGQ-BXKDBHETSA-N 0 3 245.319 0.003 20 0 BCADHN Cn1cc(CCN2C[C@@H](O)CC(C)(C)C2)nn1 ZINC000879625522 590839343 /nfs/dbraw/zinc/83/93/43/590839343.db2.gz XQRLSWYGPAIQLM-NSHDSACASA-N 0 3 238.335 0.450 20 0 BCADHN C[C@H](NCC[C@@H]1CCNC1=O)c1ccnn1C ZINC000879686364 590848917 /nfs/dbraw/zinc/84/89/17/590848917.db2.gz BMNOXOMUEBXFLN-VHSXEESVSA-N 0 3 236.319 0.597 20 0 BCADHN OCCN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690095 590850099 /nfs/dbraw/zinc/85/00/99/590850099.db2.gz GTJJZQCTDUYKIX-LBPRGKRZSA-N 0 3 233.315 0.858 20 0 BCADHN COCCN(CC[S@](C)=O)C1CCOCC1 ZINC000879708618 590853551 /nfs/dbraw/zinc/85/35/51/590853551.db2.gz CAYKVHFZUKRBPQ-INIZCTEOSA-N 0 3 249.376 0.492 20 0 BCADHN CC(C)CN1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879722734 590854921 /nfs/dbraw/zinc/85/49/21/590854921.db2.gz PMCCLNDJNJJGMS-GHMZBOCLSA-N 0 3 226.320 0.622 20 0 BCADHN CCC(=O)CCN1CCC(C(=O)NOC)CC1 ZINC000879923250 590888906 /nfs/dbraw/zinc/88/89/06/590888906.db2.gz CWTYNBHYYPHEFU-UHFFFAOYSA-N 0 3 242.319 0.745 20 0 BCADHN CC[C@H](O)C[NH+]1CCC(C(=O)[N-]OC)CC1 ZINC000879923436 590889564 /nfs/dbraw/zinc/88/95/64/590889564.db2.gz GHHLJGWCXHDPPB-JTQLQIEISA-N 0 3 230.308 0.147 20 0 BCADHN CC[C@@H](C[NH+]1CCC(C(=O)[N-]OC)CC1)OC ZINC000879926206 590890427 /nfs/dbraw/zinc/89/04/27/590890427.db2.gz OEYCJSVMFDRQDL-NSHDSACASA-N 0 3 244.335 0.801 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)COC1CC1 ZINC000879983886 590904026 /nfs/dbraw/zinc/90/40/26/590904026.db2.gz SZCYFFRGBYCOSM-QMMMGPOBSA-N 0 3 200.282 0.232 20 0 BCADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CC1(F)F ZINC000879992645 590905533 /nfs/dbraw/zinc/90/55/33/590905533.db2.gz MOHOTJWWRBWADA-IUCAKERBSA-N 0 3 248.273 0.215 20 0 BCADHN COC(=O)CC[C@H]1CCCN([C@H](C)C(N)=O)C1 ZINC000880038486 590913074 /nfs/dbraw/zinc/91/30/74/590913074.db2.gz YJJDEBOJTCFGOP-NXEZZACHSA-N 0 3 242.319 0.525 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H]2[C@H]1CCCN2C ZINC000880129013 590931737 /nfs/dbraw/zinc/93/17/37/590931737.db2.gz BOBFYZLZZXANTE-NWDGAFQWSA-N 0 3 239.363 0.680 20 0 BCADHN CCCNC(=O)CN1CC[C@H]2[C@@H]1CCCN2C ZINC000880132209 590934806 /nfs/dbraw/zinc/93/48/06/590934806.db2.gz XEGIFIRBWSSOSV-RYUDHWBXSA-N 0 3 239.363 0.681 20 0 BCADHN Cn1cnnc1CN1CC[C@H]2[C@H]1CCCN2C ZINC000880137303 590939044 /nfs/dbraw/zinc/93/90/44/590939044.db2.gz BFDDCPGISMTSEY-WDEREUQCSA-N 0 3 235.335 0.484 20 0 BCADHN Cn1cc(CN2CC[C@H]3[C@H]2CCCN3C)nn1 ZINC000880137314 590939361 /nfs/dbraw/zinc/93/93/61/590939361.db2.gz BNYMNHQYVDXYOO-NWDGAFQWSA-N 0 3 235.335 0.484 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2Cc1nccc(N)n1 ZINC000880137675 590940682 /nfs/dbraw/zinc/94/06/82/590940682.db2.gz IRPGKVHWHCVXBI-QWRGUYRKSA-N 0 3 247.346 0.727 20 0 BCADHN CCN(C#N)CCN1CC[C@@H](C(C)(C)O)C1 ZINC000880149563 590946140 /nfs/dbraw/zinc/94/61/40/590946140.db2.gz FOJGQBCIEAFGHJ-LLVKDONJSA-N 0 3 225.336 0.882 20 0 BCADHN COCCCN1CCNC(=O)CC12CCC2 ZINC000880168605 590948682 /nfs/dbraw/zinc/94/86/82/590948682.db2.gz RMEGCURBFVUSQF-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN COC(=O)[C@]12CCC[C@H]1N([C@H](C)C(N)=O)CC2 ZINC000880179765 590951538 /nfs/dbraw/zinc/95/15/38/590951538.db2.gz PJWZYHDIVJFICH-LNLATYFQSA-N 0 3 240.303 0.278 20 0 BCADHN COCC1(N(C)C[C@@H]2COCCO2)CCC1 ZINC000880185073 590952990 /nfs/dbraw/zinc/95/29/90/590952990.db2.gz DSAFHLCNZRTPEN-LLVKDONJSA-N 0 3 229.320 0.903 20 0 BCADHN OCCN[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880224479 590960334 /nfs/dbraw/zinc/96/03/34/590960334.db2.gz JUQYLAMUDREYOE-TXEJJXNPSA-N 0 3 207.273 0.619 20 0 BCADHN FC[C@@H]1CCCN(CCn2cnnn2)C1 ZINC000880238396 590969235 /nfs/dbraw/zinc/96/92/35/590969235.db2.gz DTBFXYANCDKYLY-VIFPVBQESA-N 0 3 213.260 0.355 20 0 BCADHN CON(C)C(=O)CCN1CCC(F)CC1 ZINC000880239764 590972487 /nfs/dbraw/zinc/97/24/87/590972487.db2.gz PSPCSHVIVPOTOG-UHFFFAOYSA-N 0 3 218.272 0.830 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCC(F)CC1 ZINC000880240263 590974227 /nfs/dbraw/zinc/97/42/27/590974227.db2.gz RQISGHRLHQZXNR-LLVKDONJSA-N 0 3 233.283 0.734 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@H](CF)C1 ZINC000880297278 590983235 /nfs/dbraw/zinc/98/32/35/590983235.db2.gz MCYUWXOBKLUMIO-BDAKNGLRSA-N 0 3 200.257 0.556 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@H](CF)C1 ZINC000880291815 590986504 /nfs/dbraw/zinc/98/65/04/590986504.db2.gz JOZUFWQGOIUERB-RKDXNWHRSA-N 0 3 214.284 0.945 20 0 BCADHN O=C1OCCN1CCN1CC[C@H](CF)C1 ZINC000880294723 590988860 /nfs/dbraw/zinc/98/88/60/590988860.db2.gz DSYCJSABLGOJNA-SECBINFHSA-N 0 3 216.256 0.730 20 0 BCADHN O=C1CCC(=O)N1CCN1CC[C@@H](CF)C1 ZINC000880294949 590989747 /nfs/dbraw/zinc/98/97/47/590989747.db2.gz GGOYIZMGWWHZIB-VIFPVBQESA-N 0 3 228.267 0.427 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CC[C@H](CF)C1 ZINC000880298754 590992279 /nfs/dbraw/zinc/99/22/79/590992279.db2.gz JKQAUWWLNYLVIF-MWLCHTKSSA-N 0 3 233.283 0.592 20 0 BCADHN O=C1NCCN1CCN1CC[C@H](CF)C1 ZINC000880299313 590993891 /nfs/dbraw/zinc/99/38/91/590993891.db2.gz FWZNWQPYSWKCGR-SECBINFHSA-N 0 3 215.272 0.303 20 0 BCADHN CN1CC(=O)N(CCN2CC[C@@H](CF)C2)C1=O ZINC000880300605 590997491 /nfs/dbraw/zinc/99/74/91/590997491.db2.gz UPCYRRJSGVKFGA-VIFPVBQESA-N 0 3 243.282 0.172 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)COC3CC3)[C@@H]2C1 ZINC000880348647 591009520 /nfs/dbraw/zinc/00/95/20/591009520.db2.gz GPXNHVSCHIUYRG-CMPLNLGQSA-N 0 3 238.331 0.718 20 0 BCADHN COC(CN(C)[C@H]1CCOC[C@H]1OC)OC ZINC000880432427 591018349 /nfs/dbraw/zinc/01/83/49/591018349.db2.gz NWNAPTNEVOOCDV-VHSXEESVSA-N 0 3 233.308 0.341 20 0 BCADHN CSCCN(CC(N)=O)C1CCOCC1 ZINC000880391405 591019902 /nfs/dbraw/zinc/01/99/02/591019902.db2.gz MNVHWZUTZGHIPO-UHFFFAOYSA-N 0 3 232.349 0.316 20 0 BCADHN O=C1OCC[C@@H]1CCN1C[C@@H]2C[C@]2(O)C1 ZINC000880416028 591026937 /nfs/dbraw/zinc/02/69/37/591026937.db2.gz GBBDTGUUQTVMKO-QXEWZRGKSA-N 0 3 211.261 0.006 20 0 BCADHN COCCN(C)[C@H]1CCOC[C@@H]1OC ZINC000880426894 591032102 /nfs/dbraw/zinc/03/21/02/591032102.db2.gz YRIROEKREKMURI-UWVGGRQHSA-N 0 3 203.282 0.369 20 0 BCADHN CO[C@@H]1COCC[C@H]1N(C)CC[S@@](C)=O ZINC000880438138 591036190 /nfs/dbraw/zinc/03/61/90/591036190.db2.gz XLXWMPLOEKOHGF-IQMDTDKHSA-N 0 3 235.349 0.101 20 0 BCADHN CO[C@H]1COCC[C@@H]1N(C)C[C@@H]1CCC(=O)N1 ZINC000880434583 591036395 /nfs/dbraw/zinc/03/63/95/591036395.db2.gz DWSPIGAAUSYCBI-DCAQKATOSA-N 0 3 242.319 0.001 20 0 BCADHN CO[C@@H]1COCC[C@H]1N(C)C[C@@H]1CCC(=O)N1 ZINC000880434587 591037179 /nfs/dbraw/zinc/03/71/79/591037179.db2.gz DWSPIGAAUSYCBI-HBNTYKKESA-N 0 3 242.319 0.001 20 0 BCADHN COC(=O)/C(C)=C\CN1[C@@H](C)CC[C@H]1CO ZINC000880439162 591039870 /nfs/dbraw/zinc/03/98/70/591039870.db2.gz ODESLYDDLGCHHS-PNEDHVDMSA-N 0 3 227.304 0.951 20 0 BCADHN C[C@@H]1CC[C@H](CO)N1CC(=O)N1CCC1 ZINC000880441323 591043477 /nfs/dbraw/zinc/04/34/77/591043477.db2.gz VDWWRMWKVBQMHR-NXEZZACHSA-N 0 3 212.293 0.064 20 0 BCADHN CC(C)OC[C@H](O)CN1CC=C[C@H]1CO ZINC000880483195 591057280 /nfs/dbraw/zinc/05/72/80/591057280.db2.gz CFMJUYWUGFHUBF-WDEREUQCSA-N 0 3 215.293 0.005 20 0 BCADHN OC[C@@H]1C=CCN1C[C@H](O)Cc1ccccc1 ZINC000880488793 591066086 /nfs/dbraw/zinc/06/60/86/591066086.db2.gz MCSWZIPSFIRTAY-UONOGXRCSA-N 0 3 233.311 0.823 20 0 BCADHN O=C(CCN1CC=C[C@@H]1CO)Nc1cccnc1 ZINC000880492405 591069097 /nfs/dbraw/zinc/06/90/97/591069097.db2.gz RGQHTOKCWFMDEI-GFCCVEGCSA-N 0 3 247.298 0.643 20 0 BCADHN O=C(CCN1CC=C[C@H]1CO)Nc1cccnc1 ZINC000880492406 591069083 /nfs/dbraw/zinc/06/90/83/591069083.db2.gz RGQHTOKCWFMDEI-LBPRGKRZSA-N 0 3 247.298 0.643 20 0 BCADHN CC[C@H](N[C@@H]1CCC[C@]12CCCO2)C(N)=O ZINC000880509067 591081600 /nfs/dbraw/zinc/08/16/00/591081600.db2.gz QXJSGPTZKXTDHZ-UMNHJUIQSA-N 0 3 226.320 0.942 20 0 BCADHN O=C1NCC[C@@H]2CCCN(CCCCCO)[C@@H]12 ZINC000880530995 591085231 /nfs/dbraw/zinc/08/52/31/591085231.db2.gz SYJVMQWVQLZPTQ-NWDGAFQWSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@H](CO)CN1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880530144 591085322 /nfs/dbraw/zinc/08/53/22/591085322.db2.gz PTLGWDJGFMAFJC-AXFHLTTASA-N 0 3 226.320 0.215 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CCCOC(C)C)C1 ZINC000880560404 591092156 /nfs/dbraw/zinc/09/21/56/591092156.db2.gz BOQPRKVHIYMITC-GFCCVEGCSA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)[C@]1(O)CCN(CC2CC(F)(F)C2)C1 ZINC000880565152 591094806 /nfs/dbraw/zinc/09/48/06/591094806.db2.gz ILPZHLAUFJFVMD-JTQLQIEISA-N 0 3 249.257 0.642 20 0 BCADHN COC(=O)[C@]1(O)CCN(C[C@H](O)C(C)(C)C)C1 ZINC000880565863 591096383 /nfs/dbraw/zinc/09/63/83/591096383.db2.gz QWAKXYJJWBCHMU-CABZTGNLSA-N 0 3 245.319 0.003 20 0 BCADHN COC(=O)[C@@]1(O)CCN(C[C@H]2C[C@@H](OC)C2)C1 ZINC000880568030 591097854 /nfs/dbraw/zinc/09/78/54/591097854.db2.gz RVGVPRJRQQUTRU-JFGNBEQYSA-N 0 3 243.303 0.021 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)C[C@H](O)C(C)C ZINC000880590062 591102818 /nfs/dbraw/zinc/10/28/18/591102818.db2.gz KMTJSYBPUIQFLO-QWRGUYRKSA-N 0 3 230.352 0.835 20 0 BCADHN COCCCN1CCc2ncncc2C1 ZINC000880594622 591105315 /nfs/dbraw/zinc/10/53/15/591105315.db2.gz NLKXIQKTIHRMKB-UHFFFAOYSA-N 0 3 207.277 0.871 20 0 BCADHN c1ncc2c(n1)CCN(CCC1OCCO1)C2 ZINC000880597011 591106420 /nfs/dbraw/zinc/10/64/20/591106420.db2.gz JPOOWYVABJJLIP-UHFFFAOYSA-N 0 3 235.287 0.598 20 0 BCADHN CCN1[C@H](C)CN(C(=O)[C@@H](C)N(C)C)C[C@@H]1C ZINC000880611526 591111030 /nfs/dbraw/zinc/11/10/30/591111030.db2.gz UUYDQBIMNQSPLA-GRYCIOLGSA-N 0 3 241.379 0.878 20 0 BCADHN CON(C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC000880642162 591113442 /nfs/dbraw/zinc/11/34/42/591113442.db2.gz DCVDOMPQUQEQAA-JTQLQIEISA-N 0 3 231.340 0.182 20 0 BCADHN CC[C@H](C(=O)NC1CSC1)N(C)C ZINC000880733114 591133117 /nfs/dbraw/zinc/13/31/17/591133117.db2.gz DTSGPTTUFQSRSY-MRVPVSSYSA-N 0 3 202.323 0.558 20 0 BCADHN CCCCOC(=O)Cn1cc([C@@H](C)N)nn1 ZINC000881011407 591158455 /nfs/dbraw/zinc/15/84/55/591158455.db2.gz TUHCWJDFDCSVLO-MRVPVSSYSA-N 0 3 226.280 0.641 20 0 BCADHN CCOC(=O)[C@H](CC)n1cc([C@H](C)N)nn1 ZINC000881069891 591162530 /nfs/dbraw/zinc/16/25/30/591162530.db2.gz HTVVONWRMCAUNV-CBAPKCEASA-N 0 3 226.280 0.812 20 0 BCADHN COC(CCn1cc([C@H](N)C(C)C)nn1)OC ZINC000881195515 591167855 /nfs/dbraw/zinc/16/78/55/591167855.db2.gz FFHPYTMLPXGHKK-LLVKDONJSA-N 0 3 242.323 0.943 20 0 BCADHN C[C@H](N)c1cn(Cc2noc(C3CCC3)n2)nn1 ZINC000881218316 591174582 /nfs/dbraw/zinc/17/45/82/591174582.db2.gz NDLQPWBTOIMSEQ-ZETCQYMHSA-N 0 3 248.290 0.997 20 0 BCADHN C[C@H](N)c1cn(Cc2nc(C3CCC3)no2)nn1 ZINC000881309866 591186131 /nfs/dbraw/zinc/18/61/31/591186131.db2.gz JUJBPHONYKBGLR-ZETCQYMHSA-N 0 3 248.290 0.997 20 0 BCADHN C[C@H](N)c1cn(CC(=O)NCC(C)(C)C)nn1 ZINC000881326814 591192231 /nfs/dbraw/zinc/19/22/31/591192231.db2.gz AGXPOLDDCVRQSF-QMMMGPOBSA-N 0 3 239.323 0.460 20 0 BCADHN O=C(NC[C@H]1C=CCC1)[C@H]1CN2CCN1CCC2 ZINC000881494867 591218271 /nfs/dbraw/zinc/21/82/71/591218271.db2.gz DMCKSUYTNFEFGM-QWHCGFSZSA-N 0 3 249.358 0.459 20 0 BCADHN CC(C(=O)NC[C@@]1(C)CC1(C)C)S(C)(=O)=O ZINC000881540069 591234189 /nfs/dbraw/zinc/23/41/89/591234189.db2.gz CUCJVGOQWJEMAK-GZMMTYOYSA-N 0 3 247.360 0.972 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CC[C@@H](CF)C1 ZINC000881666729 591261620 /nfs/dbraw/zinc/26/16/20/591261620.db2.gz DJTSPKALHDPNRV-UWVGGRQHSA-N 0 3 214.284 0.899 20 0 BCADHN CN1CC[C@H](CNS(=O)(=O)C2CCC2)C1 ZINC000882245690 591321785 /nfs/dbraw/zinc/32/17/85/591321785.db2.gz LVYSMEQVEYPHSE-SECBINFHSA-N 0 3 232.349 0.410 20 0 BCADHN CCN1CC[C@H]1CNC(=O)Cc1cc(C)[nH]n1 ZINC000882487559 591364185 /nfs/dbraw/zinc/36/41/85/591364185.db2.gz FUCCKFNEQZLSDQ-NSHDSACASA-N 0 3 236.319 0.471 20 0 BCADHN CCN1CC[C@H]1CNC(=O)Cc1cc(C)n[nH]1 ZINC000882487559 591364191 /nfs/dbraw/zinc/36/41/91/591364191.db2.gz FUCCKFNEQZLSDQ-NSHDSACASA-N 0 3 236.319 0.471 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC000882486922 591364229 /nfs/dbraw/zinc/36/42/29/591364229.db2.gz YPZKLKKCSPWHQJ-NEPJUHHUSA-N 0 3 241.379 0.783 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1CCN1CC)N(C)C ZINC000882489208 591366757 /nfs/dbraw/zinc/36/67/57/591366757.db2.gz OMUNATTZFBPTIO-GHMZBOCLSA-N 0 3 227.352 0.537 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)[C@@H](C)N(C)C ZINC000882496139 591378453 /nfs/dbraw/zinc/37/84/53/591378453.db2.gz PEBNNXYYJBTJBJ-NXEZZACHSA-N 0 3 213.325 0.147 20 0 BCADHN CNC(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000882619349 591400393 /nfs/dbraw/zinc/40/03/93/591400393.db2.gz HSMKKFHQBQBFHU-JTQLQIEISA-N 0 3 234.303 0.932 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@H](N)CC ZINC000129783522 591404793 /nfs/dbraw/zinc/40/47/93/591404793.db2.gz CCVDHCIKITZQEY-MRVPVSSYSA-N 0 3 216.281 0.183 20 0 BCADHN C[C@H](CNC(=O)c1ccnc(CN)c1)N(C)C ZINC000130139397 591441920 /nfs/dbraw/zinc/44/19/20/591441920.db2.gz PUSNVHLNHVBTTE-SECBINFHSA-N 0 3 236.319 0.220 20 0 BCADHN CC[S@](=O)CCNCc1ccncc1N ZINC000882990789 591498110 /nfs/dbraw/zinc/49/81/10/591498110.db2.gz AGZSLFHRGRGPCE-HNNXBMFYSA-N 0 3 227.333 0.522 20 0 BCADHN CCn1nncc1CN[C@@H](CO)C1CC1 ZINC000883002625 591504028 /nfs/dbraw/zinc/50/40/28/591504028.db2.gz KYUXCCACYHFLBO-JTQLQIEISA-N 0 3 210.281 0.159 20 0 BCADHN O=C1[C@@H]2CC[C@@H]2C(=O)N1CCN1CCCCC1 ZINC000883066487 591532833 /nfs/dbraw/zinc/53/28/33/591532833.db2.gz YUTVTBJQBKXEDK-PHIMTYICSA-N 0 3 236.315 0.867 20 0 BCADHN CON(C)CCNCc1cnc(C)n1C ZINC000883171199 591560487 /nfs/dbraw/zinc/56/04/87/591560487.db2.gz QVKXKSFUHJYELW-UHFFFAOYSA-N 0 3 212.297 0.311 20 0 BCADHN CON(C)CCNCc1cc(C(N)=O)cs1 ZINC000883171622 591560732 /nfs/dbraw/zinc/56/07/32/591560732.db2.gz DGFKEXMWECITFC-UHFFFAOYSA-N 0 3 243.332 0.430 20 0 BCADHN CON(C)CCNCc1cnc([C@H](C)O)s1 ZINC000883171615 591561257 /nfs/dbraw/zinc/56/12/57/591561257.db2.gz DDHBWSRMVWJRQZ-QMMMGPOBSA-N 0 3 245.348 0.779 20 0 BCADHN CON(C)CCNCc1cnc2cnccn12 ZINC000883171854 591561443 /nfs/dbraw/zinc/56/14/43/591561443.db2.gz KZPBGNFBGIKSRN-UHFFFAOYSA-N 0 3 235.291 0.312 20 0 BCADHN COC(=O)N(C)CCNCc1ccncc1N ZINC000883177174 591563566 /nfs/dbraw/zinc/56/35/66/591563566.db2.gz UZJICLFYINXWIT-UHFFFAOYSA-N 0 3 238.291 0.452 20 0 BCADHN O[C@@H]1COC[C@@H]1NCc1cccc2c1CCOC2 ZINC000883192657 591567657 /nfs/dbraw/zinc/56/76/57/591567657.db2.gz FDBXIFNNKCLPBN-UONOGXRCSA-N 0 3 249.310 0.609 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1cccc(F)c1N ZINC000883196625 591569467 /nfs/dbraw/zinc/56/94/67/591569467.db2.gz SRFSRHVLZJAYSX-XCBNKYQSSA-N 0 3 228.267 0.239 20 0 BCADHN C[C@H](Cn1cncn1)NCCc1ccns1 ZINC000883246994 591588136 /nfs/dbraw/zinc/58/81/36/591588136.db2.gz XBCGAFXWKKAMJC-SECBINFHSA-N 0 3 237.332 0.955 20 0 BCADHN Cn1cc(CNC[C@H](CO)Cc2ccoc2)cn1 ZINC000883269016 591602166 /nfs/dbraw/zinc/60/21/66/591602166.db2.gz YDQWMIWWTNTRMF-GFCCVEGCSA-N 0 3 249.314 0.954 20 0 BCADHN CCN1CC[C@@H]1CNCc1cnnn1CC ZINC000883358927 591628970 /nfs/dbraw/zinc/62/89/70/591628970.db2.gz UFUVVWKEXSJFEI-SNVBAGLBSA-N 0 3 223.324 0.482 20 0 BCADHN O[C@H](CN[C@@H]1CCOC1)C(F)(F)C(F)(F)F ZINC000883359586 591629730 /nfs/dbraw/zinc/62/97/30/591629730.db2.gz JVTBHFWXMFLMRY-PHDIDXHHSA-N 0 3 249.179 0.923 20 0 BCADHN CCN1CC[C@H]1CNCc1cnc(N(C)C)nc1 ZINC000883361109 591630501 /nfs/dbraw/zinc/63/05/01/591630501.db2.gz UAIMTZPEMVSMPA-LBPRGKRZSA-N 0 3 249.362 0.726 20 0 BCADHN COC(=O)/C(C)=C\CN1CCN(C)[C@@H](C)C1 ZINC000214568917 591635740 /nfs/dbraw/zinc/63/57/40/591635740.db2.gz JRVHJTYCINPLSE-VQNWOSHQSA-N 0 3 226.320 0.742 20 0 BCADHN CCN(CC)C(=O)CN(C)C[C@@H]1C[C@H](F)CN1 ZINC000883418445 591653825 /nfs/dbraw/zinc/65/38/25/591653825.db2.gz INGPLUSQAHKREX-QWRGUYRKSA-N 0 3 245.342 0.487 20 0 BCADHN CN(C[C@@H]1C[C@H](F)CN1)C1(C(N)=O)CCCC1 ZINC000883430977 591662298 /nfs/dbraw/zinc/66/22/98/591662298.db2.gz JMYJLENVJPGOSZ-UWVGGRQHSA-N 0 3 243.326 0.416 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@H](CF)C1 ZINC000883698139 591722473 /nfs/dbraw/zinc/72/24/73/591722473.db2.gz YWYVNCRVVHFGLP-VHSXEESVSA-N 0 3 231.315 0.938 20 0 BCADHN CCN1CC[C@H]1CNC(=O)N[C@@H](C)CN(C)C ZINC000883698076 591722572 /nfs/dbraw/zinc/72/25/72/591722572.db2.gz XGEXRJBFIVQLOE-QWRGUYRKSA-N 0 3 242.367 0.330 20 0 BCADHN CNC(=O)CCN[C@H](C)c1cncs1 ZINC000132699664 591730309 /nfs/dbraw/zinc/73/03/09/591730309.db2.gz OJOWNAWVNGURPW-SSDOTTSWSA-N 0 3 213.306 0.930 20 0 BCADHN CCN(CC)C(=O)CN[C@@H](C)[C@@H](C)OC ZINC000132696637 591730435 /nfs/dbraw/zinc/73/04/35/591730435.db2.gz GBDSADBVPHECND-VHSXEESVSA-N 0 3 216.325 0.868 20 0 BCADHN CC(C)NCCS(=O)(=O)CC1CC1 ZINC000132914521 591747774 /nfs/dbraw/zinc/74/77/74/591747774.db2.gz HTLWKDKBCSKTKN-UHFFFAOYSA-N 0 3 205.323 0.809 20 0 BCADHN CN(C)CCNC(=O)NC[C@@H]1C=CCC1 ZINC000883837272 591750646 /nfs/dbraw/zinc/75/06/46/591750646.db2.gz CLRRYHYRAUAVER-SNVBAGLBSA-N 0 3 211.309 0.813 20 0 BCADHN Cc1cc(NCC2(CCO)CC2)nc(N)n1 ZINC000133023301 591757527 /nfs/dbraw/zinc/75/75/27/591757527.db2.gz YWOMKBCRJGYBCV-UHFFFAOYSA-N 0 3 222.292 0.942 20 0 BCADHN CO[C@H]1C[C@H](CNC(=O)NCCN(C)C)C1 ZINC000883922075 591774767 /nfs/dbraw/zinc/77/47/67/591774767.db2.gz BEYJAUZNRPQZNX-MGCOHNPYSA-N 0 3 229.324 0.272 20 0 BCADHN CC[S@@](=O)CCN[C@H](C)c1cnn(C)c1 ZINC000133479175 591799722 /nfs/dbraw/zinc/79/97/22/591799722.db2.gz XNUMMAZLRUOLPQ-PSLIRLAXSA-N 0 3 229.349 0.839 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)CC2CC2)C[C@@H](C)N1 ZINC000884030664 591814160 /nfs/dbraw/zinc/81/41/60/591814160.db2.gz VBLHRQNMGDFBPT-KKZNHRDASA-N 0 3 225.336 0.323 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1cccc2c1CCN2 ZINC000884038979 591820969 /nfs/dbraw/zinc/82/09/69/591820969.db2.gz AMUUBMTTYOFOQU-SNVBAGLBSA-N 0 3 249.314 0.957 20 0 BCADHN N[C@H](CC1CC1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000884086468 591847381 /nfs/dbraw/zinc/84/73/81/591847381.db2.gz YPKMBXXYESMJJJ-WDEREUQCSA-N 0 3 248.330 0.511 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCc1ccccc1CO ZINC000884099972 591849928 /nfs/dbraw/zinc/84/99/28/591849928.db2.gz FVDYUFFNEMZPHM-ZDUSSCGKSA-N 0 3 248.326 0.923 20 0 BCADHN Cn1cc(-c2noc(C(C)(C)CN)n2)cn1 ZINC000133749202 591853474 /nfs/dbraw/zinc/85/34/74/591853474.db2.gz WBALNZBOOWOBMS-UHFFFAOYSA-N 0 3 221.264 0.706 20 0 BCADHN CC[C@@](C)(NC(=O)[C@H](N)CC1CC1)C(=O)OC ZINC000884116428 591853943 /nfs/dbraw/zinc/85/39/43/591853943.db2.gz UZZAMVJOWSBJOK-BXKDBHETSA-N 0 3 242.319 0.572 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@@H](N)CC1CC1 ZINC000884120560 591854027 /nfs/dbraw/zinc/85/40/27/591854027.db2.gz OOQBXWHISVBOFU-CBAPKCEASA-N 0 3 228.292 0.039 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCC(=O)OCC1CC1 ZINC000884120219 591854577 /nfs/dbraw/zinc/85/45/77/591854577.db2.gz GVTCUSRHYCXKMW-SNVBAGLBSA-N 0 3 240.303 0.183 20 0 BCADHN CC[C@](C)(NC(=O)[C@@H](N)CC1CC1)C(=O)OC ZINC000884116429 591854676 /nfs/dbraw/zinc/85/46/76/591854676.db2.gz UZZAMVJOWSBJOK-CABZTGNLSA-N 0 3 242.319 0.572 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)CC2CC2)[nH]n1 ZINC000884134235 591859145 /nfs/dbraw/zinc/85/91/45/591859145.db2.gz AFSMBMDDTBQTLP-NSHDSACASA-N 0 3 236.319 0.716 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)CC2CC2)n[nH]1 ZINC000884134235 591859148 /nfs/dbraw/zinc/85/91/48/591859148.db2.gz AFSMBMDDTBQTLP-NSHDSACASA-N 0 3 236.319 0.716 20 0 BCADHN CO[C@@H](CN)C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000884142483 591860717 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BCADHN CC1(C)CCN(CCNC(=O)[C@H](O)C2CC2)C1 ZINC000890071676 592677041 /nfs/dbraw/zinc/67/70/41/592677041.db2.gz DSCOGFNKXWYBHM-LLVKDONJSA-N 0 3 240.347 0.605 20 0 BCADHN CC(C)[C@@H](C(=O)NCc1cn(C)cn1)N(C)C ZINC000890110965 592684708 /nfs/dbraw/zinc/68/47/08/592684708.db2.gz XPLLBLVFAMKOAA-NSHDSACASA-N 0 3 238.335 0.623 20 0 BCADHN CC(C)Cn1ncnc1Cn1cc([C@H](C)N)nn1 ZINC000124302622 592717797 /nfs/dbraw/zinc/71/77/97/592717797.db2.gz KZGJYDYVBTZZCE-VIFPVBQESA-N 0 3 249.322 0.594 20 0 BCADHN CCN(CC)C(=O)[C@H](C)n1cc([C@@H](C)N)nn1 ZINC000124338889 592717899 /nfs/dbraw/zinc/71/78/99/592717899.db2.gz LSBHZKGFWCEDIF-BDAKNGLRSA-N 0 3 239.323 0.727 20 0 BCADHN CN(C)C[C@H]1CCCN1c1ncc(C=O)cn1 ZINC000126316324 592723766 /nfs/dbraw/zinc/72/37/66/592723766.db2.gz MDSNHTDDGYEIJX-LLVKDONJSA-N 0 3 234.303 0.820 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](N)CCOC)CCS1 ZINC000133010320 592739978 /nfs/dbraw/zinc/73/99/78/592739978.db2.gz IMJFGPCPMXJLIQ-NXEZZACHSA-N 0 3 246.376 0.704 20 0 BCADHN [NH3+]C1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000095233094 599106811 /nfs/dbraw/zinc/10/68/11/599106811.db2.gz SXYXYUTZAHPGBT-UHFFFAOYSA-N 0 3 244.302 0.794 20 0 BCADHN O=C([O-])[C@H](c1ccccc1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000738524012 600400440 /nfs/dbraw/zinc/40/04/40/600400440.db2.gz GKCZUBOXJGAIBY-AVGNSLFASA-N 0 3 246.310 0.964 20 0 BCADHN C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)[O-])C1 ZINC000381133394 601046598 /nfs/dbraw/zinc/04/65/98/601046598.db2.gz LFLCQHLZAGTGEC-LLVKDONJSA-N 0 3 226.320 0.735 20 0 BCADHN C[N@@H+](CC1CC1)C[C@H]1CCN(CC(=O)[O-])C1 ZINC000381133394 601046600 /nfs/dbraw/zinc/04/66/00/601046600.db2.gz LFLCQHLZAGTGEC-LLVKDONJSA-N 0 3 226.320 0.735 20 0 BCADHN C/C(=C\C[N@H+]1CC[C@@H](CN(C)C)C1)C(=O)[O-] ZINC000708459423 601167698 /nfs/dbraw/zinc/16/76/98/601167698.db2.gz MXQRORAQTXQQSJ-INJWIWPUSA-N 0 3 226.320 0.901 20 0 BCADHN C/C(=C\C[N@@H+]1CC[C@@H](CN(C)C)C1)C(=O)[O-] ZINC000708459423 601167700 /nfs/dbraw/zinc/16/77/00/601167700.db2.gz MXQRORAQTXQQSJ-INJWIWPUSA-N 0 3 226.320 0.901 20 0 BCADHN C[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095245211 606916724 /nfs/dbraw/zinc/91/67/24/606916724.db2.gz JYMPMPJMVGWXMU-QMMMGPOBSA-N 0 3 233.275 0.337 20 0 BCADHN C[C@@H](CO)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095245211 606916725 /nfs/dbraw/zinc/91/67/25/606916725.db2.gz JYMPMPJMVGWXMU-QMMMGPOBSA-N 0 3 233.275 0.337 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@@H]1COCC1(C)C ZINC000312991215 634425484 /nfs/dbraw/zinc/42/54/84/634425484.db2.gz CTMBLQMSICOGGP-VHSXEESVSA-N 0 3 228.336 0.914 20 0 BCADHN CC1(C)COC[C@H]1NCCS(C)(=O)=O ZINC000313017866 634438407 /nfs/dbraw/zinc/43/84/07/634438407.db2.gz YSQZYEMMSGVSNQ-MRVPVSSYSA-N 0 3 221.322 0.046 20 0 BCADHN CC1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC000257751728 634492377 /nfs/dbraw/zinc/49/23/77/634492377.db2.gz HIVNWLKEGUZQEM-LLVKDONJSA-N 0 3 225.336 0.149 20 0 BCADHN C[C@H]1COCC[C@@H]1Nc1ccncc1CO ZINC000893501660 634536978 /nfs/dbraw/zinc/53/69/78/634536978.db2.gz OZRDPKIYLGHYNN-ONGXEEELSA-N 0 3 222.288 0.833 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCSC2)C1 ZINC000644818428 634544986 /nfs/dbraw/zinc/54/49/86/634544986.db2.gz MEOOMLDHTOHMNG-AXFHLTTASA-N 0 3 240.372 0.902 20 0 BCADHN C[C@H]1[C@@H](NC(=O)Nc2ncn(C)n2)CCN1C ZINC000931541605 634568677 /nfs/dbraw/zinc/56/86/77/634568677.db2.gz FIWKEAXNZKKYRN-YUMQZZPRSA-N 0 3 238.295 0.029 20 0 BCADHN C[NH+](C)CC1CCN(c2cc(=O)[n-]cn2)CC1 ZINC000162818808 634570290 /nfs/dbraw/zinc/57/02/90/634570290.db2.gz WCIMLKHRFCJQBM-UHFFFAOYSA-N 0 3 236.319 0.548 20 0 BCADHN O=C(N[C@H]1CCN(CCCF)C1)C1CC1 ZINC001009830223 634597866 /nfs/dbraw/zinc/59/78/66/634597866.db2.gz FRHLUIXJESKFNT-JTQLQIEISA-N 0 3 214.284 0.947 20 0 BCADHN CC(C)=CC(=O)N1CCCN(CCCO)CC1 ZINC000980661268 635254107 /nfs/dbraw/zinc/25/41/07/635254107.db2.gz OGHSTPAPVKVNOP-UHFFFAOYSA-N 0 3 240.347 0.869 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(C[C@H]3CCCO3)C[C@@H]21 ZINC000261332821 635392529 /nfs/dbraw/zinc/39/25/29/635392529.db2.gz WQNFENHDAOCYKQ-ZNSHCXBVSA-N 0 3 225.288 0.516 20 0 BCADHN COCC[C@H](N)C(=O)Nc1cncc(C)c1 ZINC000232077467 635511404 /nfs/dbraw/zinc/51/14/04/635511404.db2.gz MUIKCASGUKEIME-JTQLQIEISA-N 0 3 223.276 0.692 20 0 BCADHN CC(C)(C)S(=O)(=O)CCNC[C@@H](O)C1CC1 ZINC000232615836 635514443 /nfs/dbraw/zinc/51/44/43/635514443.db2.gz HTBXLRIUIWELCB-SNVBAGLBSA-N 0 3 249.376 0.560 20 0 BCADHN CCS(=O)(=O)CCNC[C@@H]1CCC(C)(C)O1 ZINC000233822907 635543099 /nfs/dbraw/zinc/54/30/99/635543099.db2.gz LPYQHHVRULERPN-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN CCS(=O)(=O)CCNC[C@H]1CCC(C)(C)O1 ZINC000233824530 635543154 /nfs/dbraw/zinc/54/31/54/635543154.db2.gz LPYQHHVRULERPN-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN COC[C@@H]1COCCN1C[C@H]1CCO[C@H]1C ZINC000933327158 631259706 /nfs/dbraw/zinc/25/97/06/631259706.db2.gz KVISYNYVHDCIJK-QJPTWQEYSA-N 0 3 229.320 0.759 20 0 BCADHN CC(=O)NCCN(C)CCC1OCCCO1 ZINC000308314552 631278275 /nfs/dbraw/zinc/27/82/75/631278275.db2.gz UMCGSUOUSKQHBF-UHFFFAOYSA-N 0 3 230.308 0.207 20 0 BCADHN CS(=O)(=O)NCCCNCc1ccco1 ZINC000051187472 631351234 /nfs/dbraw/zinc/35/12/34/631351234.db2.gz ZXLCKBZHZUONFO-UHFFFAOYSA-N 0 3 232.305 0.309 20 0 BCADHN CC(C)NC(=O)CN[C@]12C[C@H]1COC21CCC1 ZINC000933393521 631357638 /nfs/dbraw/zinc/35/76/38/631357638.db2.gz JQUZDAMZGRGIJG-GXFFZTMASA-N 0 3 238.331 0.812 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)C(F)F ZINC000234346004 631398527 /nfs/dbraw/zinc/39/85/27/631398527.db2.gz RIOIPCQHHDJLIL-SSDOTTSWSA-N 0 3 206.236 0.804 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N[C@@H]1CCSC1 ZINC000308506846 631412330 /nfs/dbraw/zinc/41/23/30/631412330.db2.gz ZISXETZCOLDUGY-BDAKNGLRSA-N 0 3 214.334 0.736 20 0 BCADHN Cn1ccc(NC(=O)[C@H](N)CC2CC2)n1 ZINC000308791852 631459366 /nfs/dbraw/zinc/45/93/66/631459366.db2.gz BFXAWVKTAVXTIT-MRVPVSSYSA-N 0 3 208.265 0.486 20 0 BCADHN CS(=O)(=O)CCNCCOCC1CCCC1 ZINC000085490136 631460991 /nfs/dbraw/zinc/46/09/91/631460991.db2.gz XDRWVCXJEKHYAZ-UHFFFAOYSA-N 0 3 249.376 0.827 20 0 BCADHN CCCCN1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933726774 631491827 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C[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(C)[C@H]2C)CO1 ZINC000928440303 635939173 /nfs/dbraw/zinc/93/91/73/635939173.db2.gz KHKWCFNWLGUVSK-VPOLOUISSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2ccncn2)CCN1C ZINC000928440849 635941679 /nfs/dbraw/zinc/94/16/79/635941679.db2.gz LXKMVWSGCBGTTC-RKDXNWHRSA-N 0 3 220.276 0.299 20 0 BCADHN C[C@H]1[C@@H](NC(=O)C2(O)CCCCC2)CCN1C ZINC000928441234 635941739 /nfs/dbraw/zinc/94/17/39/635941739.db2.gz PINBUHYNLJREAC-QWRGUYRKSA-N 0 3 240.347 0.890 20 0 BCADHN COC1(C(=O)N[C@@H]2CCN(C)[C@H]2C)CCC1 ZINC000928443151 635947722 /nfs/dbraw/zinc/94/77/22/635947722.db2.gz XXVSOTHPGHTKCI-VHSXEESVSA-N 0 3 226.320 0.764 20 0 BCADHN CCOCCOCC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928445614 635949042 /nfs/dbraw/zinc/94/90/42/635949042.db2.gz SDXLSNHTYYTQGO-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2ccnn2C)CCN1C ZINC000928445578 635949812 /nfs/dbraw/zinc/94/98/12/635949812.db2.gz RWMFITCVDIEZMN-RKDXNWHRSA-N 0 3 222.292 0.243 20 0 BCADHN CC1(CNC2CSC2)OCCCO1 ZINC000306396875 635964532 /nfs/dbraw/zinc/96/45/32/635964532.db2.gz HYVPCBMQZZOEQC-UHFFFAOYSA-N 0 3 203.307 0.845 20 0 BCADHN C[C@@H]1CCCCN1CCS(N)(=O)=O ZINC000306483610 635968372 /nfs/dbraw/zinc/96/83/72/635968372.db2.gz LRCUBAYGPAGBHA-MRVPVSSYSA-N 0 3 206.311 0.149 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000310145402 636005581 /nfs/dbraw/zinc/00/55/81/636005581.db2.gz FMEJLUCYAKLHQN-GRYCIOLGSA-N 0 3 238.331 0.894 20 0 BCADHN CCOC(=O)CCCCCCNC(=O)CN ZINC000237165139 636020823 /nfs/dbraw/zinc/02/08/23/636020823.db2.gz JFVRMGIQNSCRLJ-UHFFFAOYSA-N 0 3 230.308 0.575 20 0 BCADHN C=Cn1cc(CNC[C@@H]2COCO2)cn1 ZINC000894879727 635993927 /nfs/dbraw/zinc/99/39/27/635993927.db2.gz XMBIPVZFHGWZFF-SNVBAGLBSA-N 0 3 209.249 0.446 20 0 BCADHN Cn1ncc(CNC[C@H]2COCO2)c1C1CC1 ZINC000894890923 635998763 /nfs/dbraw/zinc/99/87/63/635998763.db2.gz WQCACWNRYBTUMF-NSHDSACASA-N 0 3 237.303 0.760 20 0 BCADHN CS[C@H](CO)[C@@H](C)N[C@H]1C(=O)NCC1(C)C ZINC000925115406 636080821 /nfs/dbraw/zinc/08/08/21/636080821.db2.gz ULPAURRNYVHMMD-HLTSFMKQSA-N 0 3 246.376 0.213 20 0 BCADHN CN1CC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000928553536 636088144 /nfs/dbraw/zinc/08/81/44/636088144.db2.gz FZULHKGXDUKDBG-BDAKNGLRSA-N 0 3 249.318 0.045 20 0 BCADHN CN1CC[C@@H]1CNC(=O)[C@H]1CCN1C(C)(C)C ZINC000928557014 636096465 /nfs/dbraw/zinc/09/64/65/636096465.db2.gz YFYLCJXOGNPPIB-GHMZBOCLSA-N 0 3 239.363 0.680 20 0 BCADHN CN(C[C@H]1CCC(=O)O1)C[C@H]1COCCO1 ZINC000852498710 633752252 /nfs/dbraw/zinc/75/22/52/633752252.db2.gz PAOHEOZFAIXLNQ-ZJUUUORDSA-N 0 3 229.276 0.039 20 0 BCADHN CC1(C)OCC[C@H]1NCCS(C)(=O)=O ZINC000328396452 633761938 /nfs/dbraw/zinc/76/19/38/633761938.db2.gz QJUNVMFZWQELNS-MRVPVSSYSA-N 0 3 221.322 0.188 20 0 BCADHN CCn1cc(CN[C@@H](CCO)COC)c(C)n1 ZINC000892989227 633793404 /nfs/dbraw/zinc/79/34/04/633793404.db2.gz MHKLSPPTFUUZQV-LBPRGKRZSA-N 0 3 241.335 0.698 20 0 BCADHN CCn1cc(CN[C@H](CCO)COC)c(C)n1 ZINC000892989226 633794544 /nfs/dbraw/zinc/79/45/44/633794544.db2.gz MHKLSPPTFUUZQV-GFCCVEGCSA-N 0 3 241.335 0.698 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000308826868 633821552 /nfs/dbraw/zinc/82/15/52/633821552.db2.gz LANCSWPCNVTYGM-NXEZZACHSA-N 0 3 212.293 0.361 20 0 BCADHN Cc1cc(CN[C@H](CCO)C2CC2)nn1C ZINC000309879341 633889194 /nfs/dbraw/zinc/88/91/94/633889194.db2.gz UTAWZXOGJQSOFZ-GFCCVEGCSA-N 0 3 223.320 0.979 20 0 BCADHN COc1ncccc1CN[C@H](CO)C1CC1 ZINC000309888925 633905392 /nfs/dbraw/zinc/90/53/92/633905392.db2.gz ZLNQVSQIBOTEAY-LLVKDONJSA-N 0 3 222.288 0.951 20 0 BCADHN CNC(=O)C(C#N)C(=O)CCCOC(C)C ZINC000181497225 633918335 /nfs/dbraw/zinc/91/83/35/633918335.db2.gz NOMYFONATGNITG-VIFPVBQESA-N 0 3 226.276 0.646 20 0 BCADHN CNC(=O)C(C#N)C(=O)CCCOC(C)C ZINC000181497206 633919711 /nfs/dbraw/zinc/91/97/11/633919711.db2.gz NOMYFONATGNITG-SECBINFHSA-N 0 3 226.276 0.646 20 0 BCADHN OCc1cnccc1N1CCn2ncnc2C1 ZINC000893239236 633955996 /nfs/dbraw/zinc/95/59/96/633955996.db2.gz RNPNXUWVQXDTDK-UHFFFAOYSA-N 0 3 231.259 0.186 20 0 BCADHN C[C@@H]1CN(CCOC2CC2)C[C@H](C)N1CCO ZINC000930643422 633974073 /nfs/dbraw/zinc/97/40/73/633974073.db2.gz AALOHIOLLSVDMT-TXEJJXNPSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H](NCCN1CCNC1=O)c1ccncc1 ZINC000035693413 633974264 /nfs/dbraw/zinc/97/42/64/633974264.db2.gz JEBFMQBLYOBIMW-SNVBAGLBSA-N 0 3 234.303 0.757 20 0 BCADHN O=C([N-]OCC(F)(F)F)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000309626350 633975716 /nfs/dbraw/zinc/97/57/16/633975716.db2.gz JAJHBCLUBHQSSG-FMCRUOTFSA-N 0 3 224.182 0.062 20 0 BCADHN COC[C@@H](NCc1cnc[nH]1)[C@@H]1CCCO1 ZINC000309971526 634003128 /nfs/dbraw/zinc/00/31/28/634003128.db2.gz PSRVNTCRYLIPNF-MNOVXSKESA-N 0 3 225.292 0.693 20 0 BCADHN CON(C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000185353611 634042258 /nfs/dbraw/zinc/04/22/58/634042258.db2.gz JNOZEIUINONNHI-SNVBAGLBSA-N 0 3 229.324 0.921 20 0 BCADHN C[C@H](C[C@@H]1CCC(=O)N1)NCc1ccn(C)n1 ZINC000310117543 634076756 /nfs/dbraw/zinc/07/67/56/634076756.db2.gz UHFQNGHWWVMSOT-ZJUUUORDSA-N 0 3 236.319 0.567 20 0 BCADHN C[C@H](O)[C@H](O)CN1CC[C@@H](O)CC12CCC2 ZINC000930755814 634090611 /nfs/dbraw/zinc/09/06/11/634090611.db2.gz SLNZMLPYTANCJU-HBNTYKKESA-N 0 3 229.320 0.108 20 0 BCADHN COC(=O)[C@@H]1C[C@H](O)CN(CCOC2CC2)C1 ZINC000930824913 634118945 /nfs/dbraw/zinc/11/89/45/634118945.db2.gz HIISTWHCDQNGFJ-ZJUUUORDSA-N 0 3 243.303 0.021 20 0 BCADHN FC1(F)[C@H]2CN(C[C@@H]3C[C@@H]4COC[C@@H]4O3)C[C@H]21 ZINC000930864185 634142323 /nfs/dbraw/zinc/14/23/23/634142323.db2.gz LPPXOGVGXZEDSJ-XXFSISAASA-N 0 3 245.269 0.987 20 0 BCADHN C[C@H](CCO)N(C)CC[S@@](=O)C(F)(F)F ZINC000930862253 634142336 /nfs/dbraw/zinc/14/23/36/634142336.db2.gz IPAJSNZSKTWDGB-KWKYVRJSSA-N 0 3 247.282 0.958 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1C[C@H](O)C1(C)C)N(C)C ZINC000190624292 634156189 /nfs/dbraw/zinc/15/61/89/634156189.db2.gz WFJUXJIDMYXJCK-GUBZILKMSA-N 0 3 228.336 0.602 20 0 BCADHN CC1CCN(CCNCCS(C)(=O)=O)CC1 ZINC000053343336 634169429 /nfs/dbraw/zinc/16/94/29/634169429.db2.gz VFCABFPGBXDUPJ-UHFFFAOYSA-N 0 3 248.392 0.353 20 0 BCADHN CCO[C@@H]1C[C@@](N)(C(=O)N(C)OC)C1(C)C ZINC000162529659 634185245 /nfs/dbraw/zinc/18/52/45/634185245.db2.gz YNWUEZXMONCTEG-LDYMZIIASA-N 0 3 230.308 0.539 20 0 BCADHN CS(=O)(=O)CCNCCOC1CCCCC1 ZINC000053543398 634236555 /nfs/dbraw/zinc/23/65/55/634236555.db2.gz MJOLURAKRKCVQQ-UHFFFAOYSA-N 0 3 249.376 0.970 20 0 BCADHN OC[C@H](O)CN[C@@H](c1ccccn1)C1CCC1 ZINC000931172498 634247045 /nfs/dbraw/zinc/24/70/45/634247045.db2.gz KJBYJSVFIQSESH-DGCLKSJQSA-N 0 3 236.315 0.866 20 0 BCADHN CC(=O)N1CC[C@H](CN[C@H](C)c2cnccn2)C1 ZINC001026630393 634268367 /nfs/dbraw/zinc/26/83/67/634268367.db2.gz LTNDYJZHKDRCSA-ZYHUDNBSSA-N 0 3 248.330 0.996 20 0 BCADHN CN(CCN1CCOCC1)C[C@H]1CCC=CO1 ZINC000193865394 634295056 /nfs/dbraw/zinc/29/50/56/634295056.db2.gz WSLWWMRBKYDSTL-CYBMUJFWSA-N 0 3 240.347 0.943 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCC=CO2)CCN1CCO ZINC000194761932 634335939 /nfs/dbraw/zinc/33/59/39/634335939.db2.gz MNYOBKNTXOOVAB-OLZOCXBDSA-N 0 3 240.347 0.678 20 0 BCADHN COCC[C@H](N)C(=O)N[C@H](C)C(C)(C)C ZINC000162765359 634348603 /nfs/dbraw/zinc/34/86/03/634348603.db2.gz FLUCMEPCJCTEGZ-BDAKNGLRSA-N 0 3 216.325 0.901 20 0 BCADHN CCCCN(C)C(=O)[C@@H]1CNCCN1C ZINC000220738208 635250523 /nfs/dbraw/zinc/25/05/23/635250523.db2.gz TUGVIYFVLAQRHH-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN Cc1ccccc1CNC(=O)[C@@H]1CNCCN1C ZINC000259055478 635237428 /nfs/dbraw/zinc/23/74/28/635237428.db2.gz WANWVWLAEWSHDZ-ZDUSSCGKSA-N 0 3 247.342 0.515 20 0 BCADHN Cc1ccc(N(C)C(=O)[C@H]2CNCCN2C)cc1 ZINC000259092928 635239991 /nfs/dbraw/zinc/23/99/91/635239991.db2.gz YUJIQMRIJBDDLA-CYBMUJFWSA-N 0 3 247.342 0.861 20 0 BCADHN Cc1cccc(CNC(=O)[C@H]2CNCCN2C)c1 ZINC000259101027 635240793 /nfs/dbraw/zinc/24/07/93/635240793.db2.gz ZLCOJZXIGUNELH-CYBMUJFWSA-N 0 3 247.342 0.515 20 0 BCADHN CC(C)CCNC(=O)[C@H]1CNCCN1C ZINC000220738117 635249975 /nfs/dbraw/zinc/24/99/75/635249975.db2.gz VKEZZLRTVUSQFI-SNVBAGLBSA-N 0 3 213.325 0.052 20 0 BCADHN C[C@H]1C[C@H]1C(=O)N1CCCN(CCCO)CC1 ZINC000980658570 635254031 /nfs/dbraw/zinc/25/40/31/635254031.db2.gz DHPNSZCITQHCTF-NWDGAFQWSA-N 0 3 240.347 0.559 20 0 BCADHN CC[C@@H](C)C(=O)N1CCCN(CCCO)CC1 ZINC000980717570 635261358 /nfs/dbraw/zinc/26/13/58/635261358.db2.gz NMMHNAUTYRVTOJ-GFCCVEGCSA-N 0 3 242.363 0.949 20 0 BCADHN CC(C)(C)OCCN[C@H]1C(=O)NCC1(C)C ZINC000925778268 635264566 /nfs/dbraw/zinc/26/45/66/635264566.db2.gz JMJRUOBEBVSFLS-VIFPVBQESA-N 0 3 228.336 0.916 20 0 BCADHN OC[C@H]1C=CCN1C[C@H]1CCC2(COC2)O1 ZINC000931704717 635265887 /nfs/dbraw/zinc/26/58/87/635265887.db2.gz QNKPOKJBGGLUTD-GHMZBOCLSA-N 0 3 225.288 0.167 20 0 BCADHN CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn[n-]1 ZINC001027990326 635286502 /nfs/dbraw/zinc/28/65/02/635286502.db2.gz JBOSHKPYYJHBRR-SECBINFHSA-N 0 3 237.307 0.407 20 0 BCADHN CC(C)[N@H+]1CCC[C@@H]1CNC(=O)c1cnn[n-]1 ZINC001027990326 635286511 /nfs/dbraw/zinc/28/65/11/635286511.db2.gz JBOSHKPYYJHBRR-SECBINFHSA-N 0 3 237.307 0.407 20 0 BCADHN CCOC(=O)[C@H]1CCCN(C(=O)C2(N)CC2)C1 ZINC000088129703 635808467 /nfs/dbraw/zinc/80/84/67/635808467.db2.gz KLIDVKJMWXJFQL-VIFPVBQESA-N 0 3 240.303 0.279 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)C2CSC2)CCN1C ZINC000928430696 635914473 /nfs/dbraw/zinc/91/44/73/635914473.db2.gz IISJBISJCAELQL-APPZFPTMSA-N 0 3 214.334 0.558 20 0 BCADHN C[C@H]1[C@@H](NC(=O)C(C)(C)CO)CCN1C ZINC000928436051 635931658 /nfs/dbraw/zinc/93/16/58/635931658.db2.gz IJONEVKECDAWHQ-IUCAKERBSA-N 0 3 214.309 0.214 20 0 BCADHN Cc1cc(CC(=O)N[C@H]2CCN(C)[C@@H]2C)on1 ZINC000928436231 635931733 /nfs/dbraw/zinc/93/17/33/635931733.db2.gz OMBWUPBBAJHHJY-KOLCDFICSA-N 0 3 237.303 0.734 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCN1C ZINC000928441823 635943258 /nfs/dbraw/zinc/94/32/58/635943258.db2.gz PHJNWETZHWAHFU-PWSUYJOCSA-N 0 3 233.315 0.833 20 0 BCADHN C[C@@H](C(=O)N[C@@H]1CCN(C)[C@@H]1C)n1cccn1 ZINC000928442319 635945815 /nfs/dbraw/zinc/94/58/15/635945815.db2.gz BBJBRCYJBSEKKL-OUAUKWLOSA-N 0 3 236.319 0.653 20 0 BCADHN Cc1ccnc(N)c1CNC[C@@H]1COCO1 ZINC000894891093 635999485 /nfs/dbraw/zinc/99/94/85/635999485.db2.gz YGQNKZIDLZJEQS-SECBINFHSA-N 0 3 223.276 0.435 20 0 BCADHN O=C(C[C@H]1CCC[NH2+]1)[N-]O[C@H]1CCCCO1 ZINC000163243167 636301923 /nfs/dbraw/zinc/30/19/23/636301923.db2.gz MEIHBVLJRIJAFN-KOLCDFICSA-N 0 3 228.292 0.703 20 0 BCADHN CO[N-]C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000237297491 636309601 /nfs/dbraw/zinc/30/96/01/636309601.db2.gz XDPIXRNWLWWZFM-QMMMGPOBSA-N 0 3 200.282 0.690 20 0 BCADHN C[C@@H](O)[C@H]1CCCCN1CC1OCCO1 ZINC000305793724 636332809 /nfs/dbraw/zinc/33/28/09/636332809.db2.gz DMIRLSVSNGZTFQ-NXEZZACHSA-N 0 3 215.293 0.595 20 0 BCADHN CC(C)[C@@H](CO)N[C@H](C)c1cnnn1C ZINC000925229649 636447240 /nfs/dbraw/zinc/44/72/40/636447240.db2.gz WOLMWJLWALEXLB-RKDXNWHRSA-N 0 3 212.297 0.483 20 0 BCADHN CC(C)CC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC000985907903 636449831 /nfs/dbraw/zinc/44/98/31/636449831.db2.gz LSTPKFNPCQSSNW-ZJUUUORDSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC000985907901 636450031 /nfs/dbraw/zinc/45/00/31/636450031.db2.gz LSTPKFNPCQSSNW-UWVGGRQHSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@@H]1[C@H](NCCF)CCN1C(=O)c1cn[nH]c1 ZINC000986031907 636473172 /nfs/dbraw/zinc/47/31/72/636473172.db2.gz HRWYXVZDMJIEJK-PSASIEDQSA-N 0 3 240.282 0.572 20 0 BCADHN C/C=C(/C)C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC000986131961 636525975 /nfs/dbraw/zinc/52/59/75/636525975.db2.gz GMDOMFLGLPFNBU-BBYBGLFNSA-N 0 3 239.319 0.017 20 0 BCADHN C[C@@H]1C[C@@H](NCCF)CN1C(=O)C1CC1 ZINC000987682702 636658770 /nfs/dbraw/zinc/65/87/70/636658770.db2.gz ODWKHVLUWZORBE-PSASIEDQSA-N 0 3 214.284 0.945 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000925287416 636727147 /nfs/dbraw/zinc/72/71/47/636727147.db2.gz DLEODGIOAUZHCW-AEJSXWLSSA-N 0 3 224.304 0.038 20 0 BCADHN CC[C@]1(C)NC(=O)N(C[C@H]2CCCN2C)C1=O ZINC000925290264 636735945 /nfs/dbraw/zinc/73/59/45/636735945.db2.gz CTKZDZTUYFLDAN-SKDRFNHKSA-N 0 3 239.319 0.801 20 0 BCADHN 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Cc1ncccc1CNC[C@@H](O)C1(O)CCC1 ZINC000905383232 637784131 /nfs/dbraw/zinc/78/41/31/637784131.db2.gz GSUIFVXOPSRIKP-GFCCVEGCSA-N 0 3 236.315 0.756 20 0 BCADHN CC(C)(F)CNC[C@H](O)C1(O)CCOCC1 ZINC000905397667 637794716 /nfs/dbraw/zinc/79/47/16/637794716.db2.gz GTXGLAYMNRAMDP-VIFPVBQESA-N 0 3 235.299 0.227 20 0 BCADHN COC[C@H](O)CNCc1cc(N(C)C)ccn1 ZINC000905525828 637845203 /nfs/dbraw/zinc/84/52/03/637845203.db2.gz RMDALYMFXRBJQE-GFCCVEGCSA-N 0 3 239.319 0.245 20 0 BCADHN COC(=O)/C(C)=C/CNC[C@H](O)CC(C)(C)O ZINC000905533124 637847091 /nfs/dbraw/zinc/84/70/91/637847091.db2.gz ZOMZBIWFLKHPNH-NAZIUFLLSA-N 0 3 245.319 0.217 20 0 BCADHN CCC[C@@H](O)CCNCCS(C)(=O)=O ZINC000905588423 637856029 /nfs/dbraw/zinc/85/60/29/637856029.db2.gz KRPCBGNYYITIHW-SECBINFHSA-N 0 3 223.338 0.172 20 0 BCADHN C[C@@H](CN[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)S(C)(=O)=O ZINC000905658281 637872669 /nfs/dbraw/zinc/87/26/69/637872669.db2.gz BZFXFVGKSAKCMH-GSVPJAPCSA-N 0 3 245.344 0.185 20 0 BCADHN Cc1nc(CNC[C@H](O)c2ccccc2)n[nH]1 ZINC000905667985 637876766 /nfs/dbraw/zinc/87/67/66/637876766.db2.gz KBODETHBBLEXFI-NSHDSACASA-N 0 3 232.287 0.936 20 0 BCADHN O[C@H](CNC/C=C\Cl)CC1(O)CCOCC1 ZINC000905706777 637890852 /nfs/dbraw/zinc/89/08/52/637890852.db2.gz IVYYKZGLCFXUPL-GZXOQBQISA-N 0 3 249.738 0.621 20 0 BCADHN O[C@@H](CNC/C=C/Cl)C1(O)CCC1 ZINC000905708545 637892348 /nfs/dbraw/zinc/89/23/48/637892348.db2.gz QOKMADBZQWCGNR-NCJLJLRUSA-N 0 3 205.685 0.604 20 0 BCADHN CC(C)[C@@H](N)c1cn(Cc2ccc(N)nc2)nn1 ZINC000905815504 637941383 /nfs/dbraw/zinc/94/13/83/637941383.db2.gz JDRVPMAZWQQRBT-GFCCVEGCSA-N 0 3 246.318 0.959 20 0 BCADHN CC(C)NCc1cn(Cc2cccnc2N)nn1 ZINC000905813310 637942610 /nfs/dbraw/zinc/94/26/10/637942610.db2.gz PKEDVXHIMIKPGD-UHFFFAOYSA-N 0 3 246.318 0.802 20 0 BCADHN CC(C)NCc1cn(Cc2ccc(N)nc2)nn1 ZINC000905817474 637943972 /nfs/dbraw/zinc/94/39/72/637943972.db2.gz PYJIZLAKEYYBSQ-UHFFFAOYSA-N 0 3 246.318 0.802 20 0 BCADHN COCC1CN(C[C@H](O)CSC)C1 ZINC000905969496 637986481 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641362092 /nfs/dbraw/zinc/36/20/92/641362092.db2.gz LVEOLYQXZVIPLB-VXGBXAGGSA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@@H]1C[C@H]1CN(CCOC)[C@H](C)C(N)=O ZINC000929589123 641370941 /nfs/dbraw/zinc/37/09/41/641370941.db2.gz OWQDJVFVFDSRSU-MXWKQRLJSA-N 0 3 228.336 0.855 20 0 BCADHN CON1CC[C@H](N(C)C[C@@H]2CCCOC2)C1=O ZINC000929604191 641374611 /nfs/dbraw/zinc/37/46/11/641374611.db2.gz CFEDLYGGDJAAAY-QWRGUYRKSA-N 0 3 242.319 0.507 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000935311879 641384741 /nfs/dbraw/zinc/38/47/41/641384741.db2.gz FFXPHMLRZMXLJZ-YUSALJHKSA-N 0 3 238.331 0.788 20 0 BCADHN O=C1CNC(=O)N1C[C@@H]1CCCCN1C1CC1 ZINC000925379875 641397553 /nfs/dbraw/zinc/39/75/53/641397553.db2.gz LENCAAJMQIBLSB-JTQLQIEISA-N 0 3 237.303 0.555 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N1C[C@H](O)C[C@H]1C ZINC000935592244 641435237 /nfs/dbraw/zinc/43/52/37/641435237.db2.gz TYUUMPURZJIQLO-IJLUTSLNSA-N 0 3 240.347 0.841 20 0 BCADHN CC[C@@H](C[C@@H](C)O)NC(=O)[C@H](CC)N(C)C ZINC000913784438 641474239 /nfs/dbraw/zinc/47/42/39/641474239.db2.gz GDCTVULLXKDXFE-VWYCJHECSA-N 0 3 230.352 0.992 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N(C)C1(CO)CC1 ZINC000935950285 641505218 /nfs/dbraw/zinc/50/52/18/641505218.db2.gz HCCVGJHVOKUXGF-LLVKDONJSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cn(C)ccc1=O ZINC000935975472 641511030 /nfs/dbraw/zinc/51/10/30/641511030.db2.gz CZDXEPDMSAXNLK-VIFPVBQESA-N 0 3 237.303 0.065 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1coc(C=O)c1 ZINC000935978671 641512044 /nfs/dbraw/zinc/51/20/44/641512044.db2.gz WVWPIQNKXHAFMV-QMMMGPOBSA-N 0 3 224.260 0.772 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)C[C@@H]1CC=CCC1 ZINC000935982285 641513877 /nfs/dbraw/zinc/51/38/77/641513877.db2.gz WYBDKJHSLWVETF-NEPJUHHUSA-N 0 3 240.347 0.772 20 0 BCADHN CCN1CCC[C@H](NC(=O)O[C@H]2CCOC2)C1 ZINC000913955835 641529485 /nfs/dbraw/zinc/52/94/85/641529485.db2.gz AVLOHWGUSPAEHX-QWRGUYRKSA-N 0 3 242.319 0.986 20 0 BCADHN CC1(C)COC[C@@H]1N[C@H]1CCCS(=O)(=O)C1 ZINC000313098426 641533105 /nfs/dbraw/zinc/53/31/05/641533105.db2.gz WUOUFKSLIXGMJP-UWVGGRQHSA-N 0 3 247.360 0.578 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)O[C@H]1CCOC1 ZINC000913969389 641533139 /nfs/dbraw/zinc/53/31/39/641533139.db2.gz PWXGAGZPODIZSK-ONGXEEELSA-N 0 3 240.303 0.738 20 0 BCADHN CN1CCC[C@H]1CNC(=O)O[C@H]1CCOC1 ZINC000913971173 641533315 /nfs/dbraw/zinc/53/33/15/641533315.db2.gz YQQYFWPWJQEFPQ-UWVGGRQHSA-N 0 3 228.292 0.596 20 0 BCADHN C[C@@H]1[C@H](N[C@H]2COCC2(C)C)CCS1(=O)=O ZINC000313089263 641533417 /nfs/dbraw/zinc/53/34/17/641533417.db2.gz SESGXIFYRDSTAU-BBBLOLIVSA-N 0 3 247.360 0.577 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)O[C@@H]1CCOC1 ZINC000913969386 641533440 /nfs/dbraw/zinc/53/34/40/641533440.db2.gz PWXGAGZPODIZSK-GXSJLCMTSA-N 0 3 240.303 0.738 20 0 BCADHN CN1CCNC[C@H]1C(=O)Nc1ccccc1F ZINC000211778220 641538228 /nfs/dbraw/zinc/53/82/28/641538228.db2.gz CGXNRLRIWQVXOV-NSHDSACASA-N 0 3 237.278 0.668 20 0 BCADHN CN1CCNC[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000211778324 641538713 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WDMXMLIMAPSLKC-VHSXEESVSA-N 0 3 246.376 0.623 20 0 BCADHN C[C@@H]1COC[C@H]1NC(=O)N[C@H]1CCCN(C)C1 ZINC000914315633 641637653 /nfs/dbraw/zinc/63/76/53/641637653.db2.gz WHQHOODFCGRYPK-OUAUKWLOSA-N 0 3 241.335 0.415 20 0 BCADHN CN1CCC[C@@H](NC(=O)N[C@H]2C[C@H](CO)C2)C1 ZINC000914314924 641638001 /nfs/dbraw/zinc/63/80/01/641638001.db2.gz GKQBUSYRYYQLAA-GMTAPVOTSA-N 0 3 241.335 0.151 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@@H]1CCO[C@@H]1C ZINC000232799236 641676871 /nfs/dbraw/zinc/67/68/71/641676871.db2.gz YSWANTASINFDRX-NXEZZACHSA-N 0 3 235.349 0.577 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@H]1CCOC1 ZINC000232805973 641693556 /nfs/dbraw/zinc/69/35/56/641693556.db2.gz UBTISXIYKJMCPM-VIFPVBQESA-N 0 3 221.322 0.188 20 0 BCADHN Cc1cc(N[C@H](C)CN2CCCC2=O)nc(N)n1 ZINC000049236317 641712339 /nfs/dbraw/zinc/71/23/39/641712339.db2.gz LBAZIVOWZPHMNN-SECBINFHSA-N 0 3 249.318 0.790 20 0 BCADHN CC(C)C(=O)N[C@H]1CCCN(CCCO)[C@H]1C ZINC000993050703 641715494 /nfs/dbraw/zinc/71/54/94/641715494.db2.gz KOZBGZMSZPCXNC-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)C(=O)N[C@@H]1CCCN(CCCO)[C@@H]1C ZINC000993050708 641716430 /nfs/dbraw/zinc/71/64/30/641716430.db2.gz KOZBGZMSZPCXNC-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)C(=O)N[C@H]1CCCN(CCO)[C@H]1C ZINC000993056253 641721400 /nfs/dbraw/zinc/72/14/00/641721400.db2.gz WSEJMACOKCJDBF-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](CO)N(CCO)Cc1cccnc1 ZINC000929840608 641745571 /nfs/dbraw/zinc/74/55/71/641745571.db2.gz YXHNPOYEICTQIS-GFCCVEGCSA-N 0 3 224.304 0.647 20 0 BCADHN CC[C@]1(C)CCCN(CCS(N)(=O)=O)C1 ZINC000075999071 641783288 /nfs/dbraw/zinc/78/32/88/641783288.db2.gz NEZANWWKDXTGEP-SNVBAGLBSA-N 0 3 234.365 0.787 20 0 BCADHN C/C=C\C(=O)NCCCN1CCN(CC)CC1 ZINC000915267410 641813532 /nfs/dbraw/zinc/81/35/32/641813532.db2.gz XCYIPNJEQSIHSJ-UTCJRWHESA-N 0 3 239.363 0.706 20 0 BCADHN COCC(C)(C)NCC(=O)N1CCO[C@@H](C)C1 ZINC000076495779 641813910 /nfs/dbraw/zinc/81/39/10/641813910.db2.gz REOMMZWAMXEEIH-JTQLQIEISA-N 0 3 244.335 0.248 20 0 BCADHN C[C@H](NC(=O)[C@H]1CNCCN1C)c1ccccc1 ZINC000213716221 641840011 /nfs/dbraw/zinc/84/00/11/641840011.db2.gz MBMDBJLWQKFMPC-WCQYABFASA-N 0 3 247.342 0.767 20 0 BCADHN CCC(=O)CCN(CCO)CCOC ZINC000190211186 641850371 /nfs/dbraw/zinc/85/03/71/641850371.db2.gz PFRMFFRJWDZPME-UHFFFAOYSA-N 0 3 203.282 0.296 20 0 BCADHN C[C@@H]1[C@H](NC(=O)C2(C)CC2)CCCN1CCO ZINC000993363767 641862233 /nfs/dbraw/zinc/86/22/33/641862233.db2.gz QILPHIZKYZXQMN-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)O[C@H]2CCOC2)C1 ZINC000915835653 641865291 /nfs/dbraw/zinc/86/52/91/641865291.db2.gz UAINYOKSVIZIJU-DCAQKATOSA-N 0 3 240.303 0.548 20 0 BCADHN CC(C)c1noc(Cn2cc([C@@H](C)N)nn2)n1 ZINC000124416019 641872311 /nfs/dbraw/zinc/87/23/11/641872311.db2.gz CQHHOZUJWYHNRE-SSDOTTSWSA-N 0 3 236.279 0.853 20 0 BCADHN CN(C)CCN(C)C(=O)c1c[nH]nc1C1CC1 ZINC000190568485 641873477 /nfs/dbraw/zinc/87/34/77/641873477.db2.gz RXIWNBXULLIBMO-UHFFFAOYSA-N 0 3 236.319 0.921 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2cnon2)[C@H]1C ZINC000994047359 641881765 /nfs/dbraw/zinc/88/17/65/641881765.db2.gz BDMYADQAGLSILZ-BDAKNGLRSA-N 0 3 238.291 0.672 20 0 BCADHN C[C@H](N)C(=O)NCCSC(C)(C)C ZINC000153825819 641899250 /nfs/dbraw/zinc/89/92/50/641899250.db2.gz JOFGFDVOBLYKNK-ZETCQYMHSA-N 0 3 204.339 0.982 20 0 BCADHN C[C@@H]1OCC[C@@H]1NCCS(=O)(=O)C(C)(C)C ZINC000089629670 641905784 /nfs/dbraw/zinc/90/57/84/641905784.db2.gz NLADVQLBLSLQMD-UWVGGRQHSA-N 0 3 249.376 0.967 20 0 BCADHN O=C(CN1CCCC1)N1CC[C@H](CF)C1 ZINC000916113794 641909801 /nfs/dbraw/zinc/90/98/01/641909801.db2.gz VEHZQDRUASEHKJ-SNVBAGLBSA-N 0 3 214.284 0.900 20 0 BCADHN O=C(CNC1CC1)Nn1cnc2ccccc21 ZINC000154014512 641941786 /nfs/dbraw/zinc/94/17/86/641941786.db2.gz APMKBFNKIJEURA-UHFFFAOYSA-N 0 3 230.271 0.858 20 0 BCADHN CN1CCC[C@H]1CNC(=O)C1=CCCCO1 ZINC000174832481 641947679 /nfs/dbraw/zinc/94/76/79/641947679.db2.gz ORPZBLOKFYJNTK-JTQLQIEISA-N 0 3 224.304 0.891 20 0 BCADHN C[NH+](C)C1CC([N-]S(=O)(=O)c2ccco2)C1 ZINC000916930961 641988608 /nfs/dbraw/zinc/98/86/08/641988608.db2.gz OBNYHKXSCMTXIK-UHFFFAOYSA-N 0 3 244.316 0.651 20 0 BCADHN O=C(CNC1CC1)Nc1ccnn1CC1CC1 ZINC000154402643 642065094 /nfs/dbraw/zinc/06/50/94/642065094.db2.gz JVWUAQJFCPIPRX-UHFFFAOYSA-N 0 3 234.303 0.984 20 0 BCADHN CSCC[C@@H](N)C(=O)NCC(=O)OC(C)C ZINC000154560934 642139511 /nfs/dbraw/zinc/13/95/11/642139511.db2.gz SUTYOFCKGUDLKE-MRVPVSSYSA-N 0 3 248.348 0.135 20 0 BCADHN CC(C)[C@H]1CN(C(=O)O[C@@H]2CCOC2)CCN1 ZINC000917783533 642121762 /nfs/dbraw/zinc/12/17/62/642121762.db2.gz GDWHKYPTAGDJMW-GHMZBOCLSA-N 0 3 242.319 0.842 20 0 BCADHN CCONC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000154541011 642130520 /nfs/dbraw/zinc/13/05/20/642130520.db2.gz YDAAMFHAMZYAAP-BDAKNGLRSA-N 0 3 227.308 0.862 20 0 BCADHN CO[C@H](C)CN1CC(CNC(C)=O)C1 ZINC001031504904 642238078 /nfs/dbraw/zinc/23/80/78/642238078.db2.gz RHTIRKNMXCMLNR-MRVPVSSYSA-N 0 3 200.282 0.089 20 0 BCADHN C[C@@H](O)CN1CC(CNC(=O)C2CCC2)C1 ZINC001031511010 642239793 /nfs/dbraw/zinc/23/97/93/642239793.db2.gz SLYCNIBSIMFSNL-SECBINFHSA-N 0 3 226.320 0.215 20 0 BCADHN CCN1CC(CNC(=O)c2ccccn2)C1 ZINC001031515005 642244578 /nfs/dbraw/zinc/24/45/78/642244578.db2.gz DLFDNMFDDCYMIP-UHFFFAOYSA-N 0 3 219.288 0.763 20 0 BCADHN C[C@H](CNC(=O)c1cccc[n+]1[O-])N1CCCC1 ZINC000918691553 642248701 /nfs/dbraw/zinc/24/87/01/642248701.db2.gz GTMWFBXSFRQSDR-LLVKDONJSA-N 0 3 249.314 0.534 20 0 BCADHN O=C(NCC1CN(CCCO)C1)c1ccccc1 ZINC001031517651 642253917 /nfs/dbraw/zinc/25/39/17/642253917.db2.gz VRWUMYDEUQBTJS-UHFFFAOYSA-N 0 3 248.326 0.731 20 0 BCADHN CCN1CC(CNC(=O)c2ccc[nH]2)C1 ZINC001031541739 642286010 /nfs/dbraw/zinc/28/60/10/642286010.db2.gz XMQPQHSMOXCYTQ-UHFFFAOYSA-N 0 3 207.277 0.696 20 0 BCADHN CN1CCC[C@H]1Cn1nnc(C(F)(F)F)n1 ZINC000919061287 642296298 /nfs/dbraw/zinc/29/62/98/642296298.db2.gz UAIFZRJJEQQRIU-LURJTMIESA-N 0 3 235.213 0.786 20 0 BCADHN CCO[C@H]1C[C@@H]1C(=O)NCC1CN(CC)C1 ZINC001031561730 642307540 /nfs/dbraw/zinc/30/75/40/642307540.db2.gz APZMCHMJFNPELC-QWRGUYRKSA-N 0 3 226.320 0.479 20 0 BCADHN CNC(=O)CN1CCC[C@@H](C2CCOCC2)C1 ZINC000933077327 642315946 /nfs/dbraw/zinc/31/59/46/642315946.db2.gz BZYFFRSQSIAPAS-GFCCVEGCSA-N 0 3 240.347 0.871 20 0 BCADHN CC(=O)NCCCN(C)[C@@H]1CCCCNC1=O ZINC000154949897 642326844 /nfs/dbraw/zinc/32/68/44/642326844.db2.gz MCIAJOGQJBQVQV-LLVKDONJSA-N 0 3 241.335 0.113 20 0 BCADHN CCN1CC(CNC(=O)c2cocn2)C1 ZINC001031584168 642337319 /nfs/dbraw/zinc/33/73/19/642337319.db2.gz SXOUVXLZLPRDOG-UHFFFAOYSA-N 0 3 209.249 0.356 20 0 BCADHN C[C@H](NC(=O)C(C)(C)N)C(=O)NC(C)(C)C ZINC000157009995 642353678 /nfs/dbraw/zinc/35/36/78/642353678.db2.gz FKTSQZFYDVHGHO-ZETCQYMHSA-N 0 3 229.324 0.143 20 0 BCADHN O=C(NCC1CN(CCCO)C1)C1=CCCC1 ZINC001031608304 642371396 /nfs/dbraw/zinc/37/13/96/642371396.db2.gz XDWIUIKWNHYUCA-UHFFFAOYSA-N 0 3 238.331 0.527 20 0 BCADHN CCN1CC(CNC(=O)c2cncc(F)c2)C1 ZINC001031611406 642377373 /nfs/dbraw/zinc/37/73/73/642377373.db2.gz LPHHDTZQKJTDKH-UHFFFAOYSA-N 0 3 237.278 0.902 20 0 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/nfs/dbraw/zinc/09/06/58/645090658.db2.gz GGAWSFBRRLPSNE-IHWYPQMZSA-N 0 3 246.314 0.398 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@H]2C[C@H]21 ZINC000828103304 645096265 /nfs/dbraw/zinc/09/62/65/645096265.db2.gz HPLQEDCFFZEDEI-VHSXEESVSA-N 0 3 211.309 0.788 20 0 BCADHN CCC(=O)CCN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000830292560 645118145 /nfs/dbraw/zinc/11/81/45/645118145.db2.gz OQQYIMXQSUEZQQ-OLZOCXBDSA-N 0 3 240.347 0.761 20 0 BCADHN C[C@@H]1CN(CN2CC(=O)N(C)C2=O)[C@@H](C)[C@H]1C ZINC000841689116 645224424 /nfs/dbraw/zinc/22/44/24/645224424.db2.gz ICGRDGAPXDUWRR-UTLUCORTSA-N 0 3 239.319 0.814 20 0 BCADHN CC[C@H](N[C@@H](C)c1cc[nH]c(=O)c1)C(=O)NC ZINC000926549078 645270755 /nfs/dbraw/zinc/27/07/55/645270755.db2.gz FCFCZUNIBIPPHA-WPRPVWTQSA-N 0 3 237.303 0.962 20 0 BCADHN CCN1CC[C@@H](N[C@@H](C)c2cnn(C)n2)C1 ZINC000926593612 645294919 /nfs/dbraw/zinc/29/49/19/645294919.db2.gz CSMMHUCDLGXZCX-VHSXEESVSA-N 0 3 223.324 0.560 20 0 BCADHN CC[C@@H]1COC[C@H]1NCCS(=O)(=O)C1CC1 ZINC000926587982 645301241 /nfs/dbraw/zinc/30/12/41/645301241.db2.gz PBGUQKYRQKGCRR-MWLCHTKSSA-N 0 3 247.360 0.578 20 0 BCADHN C[C@H](N[C@H]1CCc2nnnn2CC1)c1ncc[nH]1 ZINC000926606573 645311615 /nfs/dbraw/zinc/31/16/15/645311615.db2.gz NZOWMFGEBMXZIS-IUCAKERBSA-N 0 3 247.306 0.452 20 0 BCADHN C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cnnn1C ZINC000926647261 645334789 /nfs/dbraw/zinc/33/47/89/645334789.db2.gz SZNFGHAOXIYWDI-CDLYGTGVSA-N 0 3 222.292 0.786 20 0 BCADHN O=CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000105971947 645372212 /nfs/dbraw/zinc/37/22/12/645372212.db2.gz HDJZNHWVIRLZEQ-LLVKDONJSA-N 0 3 212.293 0.330 20 0 BCADHN OCC1(CN2CC[C@H](OC(F)F)C2)COC1 ZINC000558863678 645374764 /nfs/dbraw/zinc/37/47/64/645374764.db2.gz CQKYUMYSUUEAPS-QMMMGPOBSA-N 0 3 237.246 0.309 20 0 BCADHN CCON(C)C(=O)CN[C@@H](C)COC ZINC000846066513 645397968 /nfs/dbraw/zinc/39/79/68/645397968.db2.gz YZLGWPSVUQQLBX-QMMMGPOBSA-N 0 3 204.270 0.021 20 0 BCADHN Cc1cc(CN[C@H](CO)CCF)n(C)n1 ZINC000846096628 645402149 /nfs/dbraw/zinc/40/21/49/645402149.db2.gz JEJSHZCXVJRXPT-VIFPVBQESA-N 0 3 215.272 0.539 20 0 BCADHN COC1(OC)CC[C@@H]1NC[C@H](O)[C@@H]1CCCO1 ZINC000926750596 645402177 /nfs/dbraw/zinc/40/21/77/645402177.db2.gz RXOWANNNWKRTFD-DCAQKATOSA-N 0 3 245.319 0.267 20 0 BCADHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1ccns1 ZINC000926768598 645411437 /nfs/dbraw/zinc/41/14/37/645411437.db2.gz OLXYWFHTWPOBKG-YIZRAAEISA-N 0 3 228.317 0.944 20 0 BCADHN CON(C)C(=O)CN1CCCCC[C@H]1CO ZINC000847017587 645416716 /nfs/dbraw/zinc/41/67/16/645416716.db2.gz RKDJMKVIHFBFKT-JTQLQIEISA-N 0 3 230.308 0.243 20 0 BCADHN CNCC(=O)Nc1cc(C)ccc1C(N)=O ZINC000848441336 645438728 /nfs/dbraw/zinc/43/87/28/645438728.db2.gz RZSHUZVCZUKCOP-UHFFFAOYSA-N 0 3 221.260 0.252 20 0 BCADHN CO[C@H]1C[C@H](CN[C@@H](C)c2cnn(C)n2)C1 ZINC000926845627 645452402 /nfs/dbraw/zinc/45/24/02/645452402.db2.gz LTLAIIMUQBRTHP-GUBZILKMSA-N 0 3 224.308 0.891 20 0 BCADHN C[C@H]1CCOCCN1CCO[C@H]1CCOC1 ZINC000930236056 645478457 /nfs/dbraw/zinc/47/84/57/645478457.db2.gz SWRCXULXLAHCIG-RYUDHWBXSA-N 0 3 229.320 0.903 20 0 BCADHN C[C@@]12COC[C@]1(C)CN([C@@H]1CCOC1=O)C2 ZINC000852462541 645481531 /nfs/dbraw/zinc/48/15/31/645481531.db2.gz HZUFIWZXCRAAAI-JLLWLGSASA-N 0 3 225.288 0.660 20 0 BCADHN C[C@@]12COC[C@]1(C)CN(CC1OCCO1)C2 ZINC000852463893 645483678 /nfs/dbraw/zinc/48/36/78/645483678.db2.gz YCFARKPUHPFQIQ-TXEJJXNPSA-N 0 3 227.304 0.718 20 0 BCADHN C[C@@H](NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccnnc1 ZINC000926941156 645494246 /nfs/dbraw/zinc/49/42/46/645494246.db2.gz CYCGHJJLCYUPMF-XEZLXBQYSA-N 0 3 249.314 0.931 20 0 BCADHN C[C@H](NCCO[C@@H]1CCOC1)c1ccnnc1 ZINC000927077109 645540229 /nfs/dbraw/zinc/54/02/29/645540229.db2.gz HWLXDXQLBJHQBT-CMPLNLGQSA-N 0 3 237.303 0.933 20 0 BCADHN COC1(OC)CC[C@@H]1NCCO[C@@H]1CCOC1 ZINC000927084837 645541996 /nfs/dbraw/zinc/54/19/96/645541996.db2.gz WFSPGPWKNOKANB-MNOVXSKESA-N 0 3 245.319 0.533 20 0 BCADHN C[C@@H](NC[C@H](O)c1ccnn1C)c1cnn(C)c1 ZINC000927132637 645563629 /nfs/dbraw/zinc/56/36/29/645563629.db2.gz NEFYBMAFIZOCRB-SKDRFNHKSA-N 0 3 249.318 0.538 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H](O)c1ccccn1 ZINC000857460146 645566627 /nfs/dbraw/zinc/56/66/27/645566627.db2.gz YGMUEZWMTHGSNC-LLVKDONJSA-N 0 3 237.303 0.135 20 0 BCADHN Cc1ccc(N2C(=O)N[C@H](CN(C)C)C2=O)nc1 ZINC000927218097 645590461 /nfs/dbraw/zinc/59/04/61/645590461.db2.gz NQKQYJARSRDALU-SECBINFHSA-N 0 3 248.286 0.376 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)c1cccc[n+]1[O-] ZINC000857541950 645606929 /nfs/dbraw/zinc/60/69/29/645606929.db2.gz BJTPITYHRXSDFX-LLVKDONJSA-N 0 3 249.314 0.486 20 0 BCADHN CN(C)c1ccnc(CNC(=O)c2nnc[nH]2)c1 ZINC000927700854 645641134 /nfs/dbraw/zinc/64/11/34/645641134.db2.gz LWDLTCARDVEHSO-UHFFFAOYSA-N 0 3 246.274 0.196 20 0 BCADHN CN(CC(=O)N(CCO)C1CCC1)C1CCC1 ZINC000863907037 645709668 /nfs/dbraw/zinc/70/96/68/645709668.db2.gz FJIGABALDIPANO-UHFFFAOYSA-N 0 3 240.347 0.844 20 0 BCADHN CCC(C)(C)[C@H](O)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928427425 645740006 /nfs/dbraw/zinc/74/00/06/645740006.db2.gz JZMJRFHXMGDSEO-GMTAPVOTSA-N 0 3 242.363 0.992 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2ncccn2)CCN1C ZINC000928426034 645740305 /nfs/dbraw/zinc/74/03/05/645740305.db2.gz GSPGBRKIXGDKOR-DTWKUNHWSA-N 0 3 220.276 0.299 20 0 BCADHN Cc1ncc(CC(=O)N[C@@H]2CCN(C)[C@@H]2C)o1 ZINC000928425731 645741020 /nfs/dbraw/zinc/74/10/20/645741020.db2.gz KMSRBFXLGHTWAM-LDYMZIIASA-N 0 3 237.303 0.734 20 0 BCADHN CCO[C@H](C)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928453290 645777202 /nfs/dbraw/zinc/77/72/02/645777202.db2.gz IUZHQOPTBBXCIC-AEJSXWLSSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H]1[C@@H](NC(=O)COC2CC2)CCN1C ZINC000928425666 645743942 /nfs/dbraw/zinc/74/39/42/645743942.db2.gz DIZLENJNFXOHDA-WPRPVWTQSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2cn3c(n2)CCC3)CCN1C ZINC000928432132 645745753 /nfs/dbraw/zinc/74/57/53/645745753.db2.gz PHIKLSCJTHKRLL-UWVGGRQHSA-N 0 3 248.330 0.652 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN1C ZINC000928430495 645746931 /nfs/dbraw/zinc/74/69/31/645746931.db2.gz XTVHPTWWEXUBIV-GWOFURMSSA-N 0 3 248.330 0.722 20 0 BCADHN Cc1cc(=O)[nH]c(C(=O)N[C@H]2CCN(C)[C@H]2C)c1 ZINC000928431076 645747629 /nfs/dbraw/zinc/74/76/29/645747629.db2.gz BEPKFALIFKKXSW-UWVGGRQHSA-N 0 3 249.314 0.918 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2cc3n(n2)CCC3)CCN1C ZINC000928431181 645748385 /nfs/dbraw/zinc/74/83/85/645748385.db2.gz CRYKZTQOGSGRMA-GXSJLCMTSA-N 0 3 248.330 0.652 20 0 BCADHN CCn1cnc(C(=O)N[C@H]2CCN(C)[C@H]2C)c1 ZINC000928430108 645749652 /nfs/dbraw/zinc/74/96/52/645749652.db2.gz TYXMCFNVXIKPLT-UWVGGRQHSA-N 0 3 236.319 0.725 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@H](O)C2CCC2)CCN1C ZINC000928437541 645755455 /nfs/dbraw/zinc/75/54/55/645755455.db2.gz XDJHINOHGZIHSN-MIMYLULJSA-N 0 3 226.320 0.356 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928436982 645755491 /nfs/dbraw/zinc/75/54/91/645755491.db2.gz QATLNDPPYKHGJI-AEJSXWLSSA-N 0 3 214.309 0.212 20 0 BCADHN C[C@@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCN1C ZINC000928436806 645756469 /nfs/dbraw/zinc/75/64/69/645756469.db2.gz AVSHNBQEXKEKOW-MWLCHTKSSA-N 0 3 236.319 0.171 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928436986 645756929 /nfs/dbraw/zinc/75/69/29/645756929.db2.gz QATLNDPPYKHGJI-KXUCPTDWSA-N 0 3 214.309 0.212 20 0 BCADHN C[C@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCN1C ZINC000928436804 645758302 /nfs/dbraw/zinc/75/83/02/645758302.db2.gz AVSHNBQEXKEKOW-GXSJLCMTSA-N 0 3 236.319 0.171 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cnn1 ZINC000928441326 645760706 /nfs/dbraw/zinc/76/07/06/645760706.db2.gz MZEOIKZDWJFNQP-GXSJLCMTSA-N 0 3 234.303 0.607 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2cncnc2)CCN1C ZINC000928439794 645760756 /nfs/dbraw/zinc/76/07/56/645760756.db2.gz OSGNMXYOHHNPQJ-WCBMZHEXSA-N 0 3 220.276 0.299 20 0 BCADHN C[C@H]1[C@@H](NC(=O)C2CCC(O)CC2)CCN1C ZINC000928445323 645767131 /nfs/dbraw/zinc/76/71/31/645767131.db2.gz YEGWSBOHRXSMLZ-XKGSQUFQSA-N 0 3 240.347 0.746 20 0 BCADHN Cc1nnccc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928445987 645771320 /nfs/dbraw/zinc/77/13/20/645771320.db2.gz UWRSZDZGKUITNJ-GXSJLCMTSA-N 0 3 234.303 0.607 20 0 BCADHN Cc1cc(CC(=O)N[C@H]2CCN(C)[C@H]2C)no1 ZINC000928448985 645771469 /nfs/dbraw/zinc/77/14/69/645771469.db2.gz PKDQPWQWJJZABC-ONGXEEELSA-N 0 3 237.303 0.734 20 0 BCADHN COC(C)(C)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928447328 645772131 /nfs/dbraw/zinc/77/21/31/645772131.db2.gz JKHXTCGHBOPJFO-BDAKNGLRSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H]1[C@H](NC(=O)COc2cccnc2)CCN1C ZINC000928447892 645773269 /nfs/dbraw/zinc/77/32/69/645773269.db2.gz LVGQSEIYJCFAEH-CMPLNLGQSA-N 0 3 249.314 0.669 20 0 BCADHN COc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cn1 ZINC000928448204 645773979 /nfs/dbraw/zinc/77/39/79/645773979.db2.gz BIAMHTLRMAOHDN-GXSJLCMTSA-N 0 3 249.314 0.913 20 0 BCADHN Cc1cc(CC(=O)N[C@@H]2CCN(C)[C@@H]2C)no1 ZINC000928448984 645774388 /nfs/dbraw/zinc/77/43/88/645774388.db2.gz PKDQPWQWJJZABC-MWLCHTKSSA-N 0 3 237.303 0.734 20 0 BCADHN CCc1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)[nH]n1 ZINC000928450310 645777267 /nfs/dbraw/zinc/77/72/67/645777267.db2.gz DIXRQBNAEGSJGG-WPRPVWTQSA-N 0 3 236.319 0.795 20 0 BCADHN CCC(=O)N[C@H](C)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928458172 645781049 /nfs/dbraw/zinc/78/10/49/645781049.db2.gz RNMVQPQGUNQZBR-UTLUCORTSA-N 0 3 241.335 0.110 20 0 BCADHN CCc1n[nH]cc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928455557 645781312 /nfs/dbraw/zinc/78/13/12/645781312.db2.gz MXZMMRWMABLKCE-KWQFWETISA-N 0 3 236.319 0.795 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2ccc[n+]([O-])c2)CCN1C ZINC000928456558 645782857 /nfs/dbraw/zinc/78/28/57/645782857.db2.gz NCTAWVSJKSFDIA-GXSJLCMTSA-N 0 3 235.287 0.142 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2ccc(=O)n(C)c2)CCN1C ZINC000928455526 645783451 /nfs/dbraw/zinc/78/34/51/645783451.db2.gz MRVVRRYORIGOOU-GXSJLCMTSA-N 0 3 249.314 0.208 20 0 BCADHN CCc1n[nH]cc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928455556 645783793 /nfs/dbraw/zinc/78/37/93/645783793.db2.gz MXZMMRWMABLKCE-KCJUWKMLSA-N 0 3 236.319 0.795 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2n[nH]c3c2CCC3)CCN1C ZINC000928455545 645783843 /nfs/dbraw/zinc/78/38/43/645783843.db2.gz MUCUDDTUYMWWTL-PSASIEDQSA-N 0 3 248.330 0.721 20 0 BCADHN CCCn1cc(CN(C)CC2CN(C)C2)nn1 ZINC000877626954 645803065 /nfs/dbraw/zinc/80/30/65/645803065.db2.gz DGLQYUSXTVCPRH-UHFFFAOYSA-N 0 3 237.351 0.682 20 0 BCADHN CC(C)(/C=C\Cl)NS(=O)(=O)C1CNC1 ZINC000923676769 645818834 /nfs/dbraw/zinc/81/88/34/645818834.db2.gz MZRKWRZNOZUAAX-ARJAWSKDSA-N 0 3 238.740 0.409 20 0 BCADHN c1nnnn1CCN1CC[C@@H](c2ccncc2)C1 ZINC000878628541 645821692 /nfs/dbraw/zinc/82/16/92/645821692.db2.gz JHFQINUXZBLAFU-GFCCVEGCSA-N 0 3 244.302 0.558 20 0 BCADHN O=C1NCC[C@H]2CCCN(CCn3ccnc3)[C@H]12 ZINC000880524551 645835250 /nfs/dbraw/zinc/83/52/50/645835250.db2.gz BIIFLMGIIFMGBC-NEPJUHHUSA-N 0 3 248.330 0.484 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@@H](OC)C(C)(C)C ZINC000884166622 645867820 /nfs/dbraw/zinc/86/78/20/645867820.db2.gz HBQRDPVTBUHEEX-VHSXEESVSA-N 0 3 246.351 0.528 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000884168929 645868528 /nfs/dbraw/zinc/86/85/28/645868528.db2.gz RBMHUYOOFFMIRX-SBMIAAHKSA-N 0 3 244.335 0.280 20 0 BCADHN C[C@H](C(=O)N1CCN[C@H](C)[C@@H]1C)c1cncnc1 ZINC000884271525 645873406 /nfs/dbraw/zinc/87/34/06/645873406.db2.gz GHHGDZFRUXSTKU-AXFHLTTASA-N 0 3 248.330 0.789 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1COC[C@@H]1C ZINC000928900375 645883718 /nfs/dbraw/zinc/88/37/18/645883718.db2.gz CTFQAJXLFLZDCG-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@H](O)[C@@H](O)CN(C)Cc1cccc(F)c1 ZINC000929210234 646006226 /nfs/dbraw/zinc/00/62/26/646006226.db2.gz KZMSAFLFTGKNLE-CABZTGNLSA-N 0 3 227.279 0.999 20 0 BCADHN COc1cccc(CN(C)C[C@@H](O)[C@@H](C)O)c1 ZINC000929207578 646006442 /nfs/dbraw/zinc/00/64/42/646006442.db2.gz SLXBNKBEESAIOA-ZWNOBZJWSA-N 0 3 239.315 0.869 20 0 BCADHN CC1CC(CN(C)CC(=O)N2CCOCC2)C1 ZINC000929226161 646022937 /nfs/dbraw/zinc/02/29/37/646022937.db2.gz WZGMZODHMHTSMQ-UHFFFAOYSA-N 0 3 240.347 0.823 20 0 BCADHN CCC(CC)CN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924455800 646037952 /nfs/dbraw/zinc/03/79/52/646037952.db2.gz DZDFLQYJRKUAAC-JTQLQIEISA-N 0 3 241.335 0.905 20 0 BCADHN 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/nfs/dbraw/zinc/59/66/77/646596677.db2.gz IVRGWAJWGCZRSG-HLTSFMKQSA-N 0 3 226.320 0.260 20 0 BCADHN C[C@@H](NCC1(CCO)CC1)c1cnnn1C ZINC000926227428 646598736 /nfs/dbraw/zinc/59/87/36/646598736.db2.gz FYNBVZQGNHRONN-SECBINFHSA-N 0 3 224.308 0.628 20 0 BCADHN C[C@H](N[C@@H]1CCOC[C@@H]1C)c1cnn(C)n1 ZINC000926287356 646611634 /nfs/dbraw/zinc/61/16/34/646611634.db2.gz MZMALIMROFRHHF-LPEHRKFASA-N 0 3 224.308 0.891 20 0 BCADHN C[C@H](NCCN(C)C)c1cc(CO)on1 ZINC000926420818 646634318 /nfs/dbraw/zinc/63/43/18/646634318.db2.gz MYNRTAISJAVBIX-QMMMGPOBSA-N 0 3 213.281 0.379 20 0 BCADHN C[C@H](NCCCc1cnn(C)n1)c1cn(C)cn1 ZINC000926483113 646656661 /nfs/dbraw/zinc/65/66/61/646656661.db2.gz GDTANEGUPSWOCY-JTQLQIEISA-N 0 3 248.334 0.832 20 0 BCADHN C[C@H](C[C@@H]1CCC(=O)N1)N[C@@H]1CCn2ccnc21 ZINC000926498354 646662563 /nfs/dbraw/zinc/66/25/63/646662563.db2.gz DVAZVCFEDDLVHI-OUAUKWLOSA-N 0 3 248.330 0.975 20 0 BCADHN C[C@@H](CCCO)CN[C@@H](C)c1cnn(C)n1 ZINC000926509014 646667420 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KQYPJMLNOGHFNB-GXSJLCMTSA-N 0 3 241.335 0.245 20 0 BCADHN O=C(N[C@@H]1CN(CCC2CC2)C[C@H]1O)C1CC1 ZINC001076661345 711807916 /nfs/dbraw/zinc/80/79/16/711807916.db2.gz YLMKVHZVQAQICH-VXGBXAGGSA-N 0 3 238.331 0.358 20 0 BCADHN O=C(C[C@H]1CNCCO1)NC1CCSCC1 ZINC000158058867 711831686 /nfs/dbraw/zinc/83/16/86/711831686.db2.gz NWSUQIOQMCNBEL-JTQLQIEISA-N 0 3 244.360 0.377 20 0 BCADHN COC(=O)/C(C)=C\CN1CC[C@@H](CO)C1 ZINC000228778171 711836606 /nfs/dbraw/zinc/83/66/06/711836606.db2.gz LNXMCINIHWHRHP-KSXVILFYSA-N 0 3 213.277 0.420 20 0 BCADHN COC[C@H](CN1C[C@@H](CO)OC[C@H]1C)C(C)C ZINC000721963303 711843698 /nfs/dbraw/zinc/84/36/98/711843698.db2.gz HEHYEANVMMDTJZ-AGIUHOORSA-N 0 3 245.363 0.987 20 0 BCADHN CC[C@@H](C(=O)NCC[C@H](C)NC(C)=O)N(C)C ZINC001077516252 711846191 /nfs/dbraw/zinc/84/61/91/711846191.db2.gz HQDVKISKNYDBGN-ONGXEEELSA-N 0 3 243.351 0.358 20 0 BCADHN CO[C@H]([C@@H](C)NCCS(C)(=O)=O)C1CC1 ZINC000388266267 711859826 /nfs/dbraw/zinc/85/98/26/711859826.db2.gz 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BGGRMSOYXGOYCG-CBAPKCEASA-N 0 3 235.278 0.037 20 0 BCADHN CC(C)C[C@@H]1CCCN1C(=O)[C@@H](N)CN(C)C ZINC000702353859 712046555 /nfs/dbraw/zinc/04/65/55/712046555.db2.gz WGGVMBBCPGFNMT-RYUDHWBXSA-N 0 3 241.379 0.912 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC[C@@H](CCF)C1 ZINC000702391726 712049873 /nfs/dbraw/zinc/04/98/73/712049873.db2.gz PGWZSYDCZNCGJD-QWRGUYRKSA-N 0 3 245.342 0.474 20 0 BCADHN Cc1ccc(NC(=O)[C@@H](N)CN(C)C)cn1 ZINC000702409178 712050815 /nfs/dbraw/zinc/05/08/15/712050815.db2.gz OKGJKEYRRNNWII-JTQLQIEISA-N 0 3 222.292 0.217 20 0 BCADHN C[C@H]1CC[C@H](NC(=O)[C@@H](N)CN(C)C)CC1 ZINC000702413144 712051581 /nfs/dbraw/zinc/05/15/81/712051581.db2.gz FAFABTDCAGOPST-DCAQKATOSA-N 0 3 227.352 0.570 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)Cc1ccsc1 ZINC000702414122 712051588 /nfs/dbraw/zinc/05/15/88/712051588.db2.gz LCVWJHAFGVHHEZ-JTQLQIEISA-N 0 3 241.360 0.595 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1cccc(F)c1F ZINC000702416855 712051840 /nfs/dbraw/zinc/05/18/40/712051840.db2.gz 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238.331 0.895 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000707239961 712167160 /nfs/dbraw/zinc/16/71/60/712167160.db2.gz KFHRBMXVXWWGAY-WCQYABFASA-N 0 3 238.331 0.753 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000707239965 712167320 /nfs/dbraw/zinc/16/73/20/712167320.db2.gz KFHRBMXVXWWGAY-YPMHNXCESA-N 0 3 238.331 0.753 20 0 BCADHN C[C@]1(C(F)(F)F)CCN(C[C@H](O)CO)C1 ZINC000708976062 712204460 /nfs/dbraw/zinc/20/44/60/712204460.db2.gz RLQFIXUDRQDJCQ-YUMQZZPRSA-N 0 3 227.226 0.614 20 0 BCADHN CCC[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000708522439 712212105 /nfs/dbraw/zinc/21/21/05/712212105.db2.gz ROQKWUHLEDCWBY-RYUDHWBXSA-N 0 3 241.379 0.914 20 0 BCADHN OCCOCCN1CC[C@H](c2nccs2)C1 ZINC000710672415 712265739 /nfs/dbraw/zinc/26/57/39/712265739.db2.gz YDAXFCMOHGLQJK-JTQLQIEISA-N 0 3 242.344 0.941 20 0 BCADHN CO[C@@]1(C)C[C@H]1N[C@H]1CCC1(OC)OC ZINC000710961230 712268420 /nfs/dbraw/zinc/26/84/20/712268420.db2.gz PJCSNTALMOXAHQ-AEJSXWLSSA-N 0 3 215.293 0.905 20 0 BCADHN COC1(OC)CC[C@@H]1NCC1([S@](C)=O)CC1 ZINC000710962023 712268980 /nfs/dbraw/zinc/26/89/80/712268980.db2.gz SDJWYBKBPVKNCW-FVMDXXJSSA-N 0 3 247.360 0.639 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCC[C@@H](CF)C1 ZINC000711455987 712304585 /nfs/dbraw/zinc/30/45/85/712304585.db2.gz QSKUJWGDWLDECB-WDEREUQCSA-N 0 3 247.310 0.982 20 0 BCADHN C[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2(C)CC2)C1 ZINC001079745331 712350696 /nfs/dbraw/zinc/35/06/96/712350696.db2.gz VMOLWRSSSSSWPA-GMTAPVOTSA-N 0 3 240.347 0.604 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCCC2(CC2)CC1 ZINC000702504271 712360415 /nfs/dbraw/zinc/36/04/15/712360415.db2.gz SHXZGRFYOVOYMG-NSHDSACASA-N 0 3 239.363 0.668 20 0 BCADHN Cn1ncc(CCCNCc2ncc[nH]2)n1 ZINC000378859036 712363734 /nfs/dbraw/zinc/36/37/34/712363734.db2.gz NGDONJQFXGWQGY-UHFFFAOYSA-N 0 3 220.280 0.261 20 0 BCADHN Cc1ccc(C(=O)NOCCN(C)C)cn1 ZINC000379189616 712371082 /nfs/dbraw/zinc/37/10/82/712371082.db2.gz VGFRSMFDJBDSSP-UHFFFAOYSA-N 0 3 223.276 0.613 20 0 BCADHN CS(=O)(=O)[C@H]1C[C@H](NCc2cc[nH]c2)C1 ZINC000714251916 712480658 /nfs/dbraw/zinc/48/06/58/712480658.db2.gz OHLURVBBVOZRSK-MGCOHNPYSA-N 0 3 228.317 0.680 20 0 BCADHN CCCn1cc(CN[C@@H]2CCCN(C)C2)nn1 ZINC000714403348 712484906 /nfs/dbraw/zinc/48/49/06/712484906.db2.gz ITOBCVYCECILLJ-LLVKDONJSA-N 0 3 237.351 0.872 20 0 BCADHN CCn1ncnc1CNC[C@H]1C[C@H](OC)C1 ZINC000714728765 712496923 /nfs/dbraw/zinc/49/69/23/712496923.db2.gz BCQBZZHLHFEBAD-MGCOHNPYSA-N 0 3 224.308 0.813 20 0 BCADHN O=S(=O)(CCCC1CC1)N1CCCNCC1 ZINC000715035597 712504867 /nfs/dbraw/zinc/50/48/67/712504867.db2.gz UVOVUSWIJDLETF-UHFFFAOYSA-N 0 3 246.376 0.802 20 0 BCADHN FC1(F)[C@H]2CN(C[C@@H]3CNCCO3)C[C@H]21 ZINC000715461369 712519921 /nfs/dbraw/zinc/51/99/21/712519921.db2.gz RUHDLFWYWWDIJV-XHNCKOQMSA-N 0 3 218.247 0.172 20 0 BCADHN C[C@@H](NCC1(N(C)C)CC1)c1cn(C)nn1 ZINC000715841737 712533171 /nfs/dbraw/zinc/53/31/71/712533171.db2.gz JKPHPFMIKBFVBP-SECBINFHSA-N 0 3 223.324 0.560 20 0 BCADHN COCCCCN[C@@H](C)c1cn(C)nn1 ZINC000715873454 712538104 /nfs/dbraw/zinc/53/81/04/712538104.db2.gz CFBQFDQHFHUXAR-VIFPVBQESA-N 0 3 212.297 0.892 20 0 BCADHN C[C@H](NC[C@H]1CCCOC1)c1cn(C)nn1 ZINC000715915877 712542067 /nfs/dbraw/zinc/54/20/67/712542067.db2.gz WAIRKKBTBCPXHA-VHSXEESVSA-N 0 3 224.308 0.892 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1ccns1 ZINC000715922812 712542688 /nfs/dbraw/zinc/54/26/88/712542688.db2.gz SUCXGKDGRBHIIL-YUMQZZPRSA-N 0 3 216.306 0.801 20 0 BCADHN C[C@@H](N)C(=O)NCC[C@@H]1CCCS1 ZINC000716034799 712547806 /nfs/dbraw/zinc/54/78/06/712547806.db2.gz GHZOQNPAIOIXGM-SFYZADRCSA-N 0 3 202.323 0.736 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC[C@@H]1CCCS1 ZINC000715994721 712551354 /nfs/dbraw/zinc/55/13/54/712551354.db2.gz TWBSGGRWIXSXOX-UWVGGRQHSA-N 0 3 245.392 0.277 20 0 BCADHN CC(C)C[C@H](C)NS(=O)(=O)N1CCNCC1 ZINC000037265485 712564793 /nfs/dbraw/zinc/56/47/93/712564793.db2.gz ACZFMUZHSXVEDX-JTQLQIEISA-N 0 3 249.380 0.161 20 0 BCADHN CC(C)CC(=O)CCN(C)CC(C)(CO)CO ZINC000828016121 712593838 /nfs/dbraw/zinc/59/38/38/712593838.db2.gz UJUKCAGTKNIPKX-UHFFFAOYSA-N 0 3 245.363 0.914 20 0 BCADHN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNS(=O)(=O)C1CNC1 ZINC000717034285 712615886 /nfs/dbraw/zinc/61/58/86/712615886.db2.gz LHXBSDGEVNJKOZ-HZQMYPQZSA-N 0 3 244.360 0.170 20 0 BCADHN Cc1nnc(CCNCc2c[nH]cn2)s1 ZINC000379970388 712641721 /nfs/dbraw/zinc/64/17/21/712641721.db2.gz AZSBLOLEDIKOKF-UHFFFAOYSA-N 0 3 223.305 0.902 20 0 BCADHN Cc1nnc(CCNCc2cnc[nH]2)s1 ZINC000379970388 712641723 /nfs/dbraw/zinc/64/17/23/712641723.db2.gz AZSBLOLEDIKOKF-UHFFFAOYSA-N 0 3 223.305 0.902 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1ccc(F)c(F)c1 ZINC000717352184 712649900 /nfs/dbraw/zinc/64/99/00/712649900.db2.gz GRTFZDRIBPMRPW-WRWORJQWSA-N 0 3 231.242 0.796 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cc(F)cc(F)c1 ZINC000717356176 712650314 /nfs/dbraw/zinc/65/03/14/712650314.db2.gz XWRDFLZAJQCOFB-CPCISQLKSA-N 0 3 231.242 0.796 20 0 BCADHN Cc1cc(CNC[C@@H](O)[C@@H](C)O)cs1 ZINC000717424491 712658170 /nfs/dbraw/zinc/65/81/70/712658170.db2.gz XBWNGLRYEOSGGW-PSASIEDQSA-N 0 3 215.318 0.888 20 0 BCADHN CCO[C@@H]1C[C@H](NC/C=C/CO)[C@H]1OC ZINC000717535172 712660458 /nfs/dbraw/zinc/66/04/58/712660458.db2.gz SUOOHTHUVBEUON-IHJCATOESA-N 0 3 215.293 0.317 20 0 BCADHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccns1 ZINC000717676750 712663880 /nfs/dbraw/zinc/66/38/80/712663880.db2.gz ZYBAJDFRKLLGSY-SSDOTTSWSA-N 0 3 249.361 0.419 20 0 BCADHN CC[NH2+]CC[N-]S(=O)(=O)c1ccns1 ZINC000717723624 712667441 /nfs/dbraw/zinc/66/74/41/712667441.db2.gz OOKNHWDFCDOYHI-UHFFFAOYSA-N 0 3 235.334 0.031 20 0 BCADHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccns1 ZINC000717724538 712667487 /nfs/dbraw/zinc/66/74/87/712667487.db2.gz QNQPFOFISWPJMS-ZCFIWIBFSA-N 0 3 235.334 0.159 20 0 BCADHN Cn1nccc1NC(=O)[C@@H](N)CC1CC1 ZINC000389697194 712689762 /nfs/dbraw/zinc/68/97/62/712689762.db2.gz JACKAIRKWLRTNA-QMMMGPOBSA-N 0 3 208.265 0.486 20 0 BCADHN Cc1nc([C@H](C)N[C@H]2CCO[C@@H]2C)n[nH]1 ZINC000392385896 712724789 /nfs/dbraw/zinc/72/47/89/712724789.db2.gz QAFKRFVPFMPWHB-OOZYFLPDSA-N 0 3 210.281 0.941 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@@H](N)CC1CC1 ZINC000380213620 712727228 /nfs/dbraw/zinc/72/72/28/712727228.db2.gz ISZUOERJTRNZQF-VIFPVBQESA-N 0 3 222.292 0.462 20 0 BCADHN CC(=O)NCCNC[C@H](O)c1ccccc1F ZINC000037862479 712776265 /nfs/dbraw/zinc/77/62/65/712776265.db2.gz CMPVEHFCZVCNBB-LBPRGKRZSA-N 0 3 240.278 0.585 20 0 BCADHN C[S@](=O)CCN1CCC[C@@H](C2OCCO2)C1 ZINC000718979375 712790796 /nfs/dbraw/zinc/79/07/96/712790796.db2.gz JCXOWHNCGJOANA-HWPZZCPQSA-N 0 3 247.360 0.450 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](CCO)C1CC1 ZINC000305143652 712840333 /nfs/dbraw/zinc/84/03/33/712840333.db2.gz NARXBLYQMGCDQT-LLVKDONJSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1cc(N2CCO[C@@H](C)CC2)nc(N)n1 ZINC000720461188 712844367 /nfs/dbraw/zinc/84/43/67/712844367.db2.gz SMZCVZFMINCKJN-VIFPVBQESA-N 0 3 222.292 0.982 20 0 BCADHN OCCN(CCO)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720562105 712851251 /nfs/dbraw/zinc/85/12/51/712851251.db2.gz RFNGAGVOIYXOFC-WOPDTQHZSA-N 0 3 229.320 0.231 20 0 BCADHN CC(=O)NC[C@H]1CCN1CC[C@@H]1CCOC1 ZINC001037987343 712896798 /nfs/dbraw/zinc/89/67/98/712896798.db2.gz OQXNIZSPNFVOOF-VXGBXAGGSA-N 0 3 226.320 0.623 20 0 BCADHN CC1(C)C[C@H]1C(=O)N[C@@H]1CCN(CCCO)C1 ZINC001010651532 710594435 /nfs/dbraw/zinc/59/44/35/710594435.db2.gz QHKYGUBSHBMTTD-MNOVXSKESA-N 0 3 240.347 0.605 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2c(C)ncn2C)C1 ZINC001014816590 710612846 /nfs/dbraw/zinc/61/28/46/710612846.db2.gz PRPBXIHSHBFASS-SNVBAGLBSA-N 0 3 236.319 0.553 20 0 BCADHN Cn1cnc(CNCCCn2cccn2)c1 ZINC000381318405 710622319 /nfs/dbraw/zinc/62/23/19/710622319.db2.gz NXIZRNBMKYASOE-UHFFFAOYSA-N 0 3 219.292 0.797 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1cc(C)nn1C ZINC000381452212 710638307 /nfs/dbraw/zinc/63/83/07/710638307.db2.gz HWFIAYINSJIEQO-ZJUUUORDSA-N 0 3 227.308 0.386 20 0 BCADHN CCO[C@@H]1CCC[C@H]1NCCS(=O)(=O)CC ZINC000381519230 710650228 /nfs/dbraw/zinc/65/02/28/710650228.db2.gz VCJQUQDSBNUSSX-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN Cc1noc(C)c1CCCNC(=O)CN ZINC000381543023 710652536 /nfs/dbraw/zinc/65/25/36/710652536.db2.gz JLBUKMROZIJNAH-UHFFFAOYSA-N 0 3 211.265 0.299 20 0 BCADHN CCN1CCC[C@H](N[C@@H]2CCOC2)C1=O ZINC000722355102 710708444 /nfs/dbraw/zinc/70/84/44/710708444.db2.gz HMQYGCCNWKLKQS-ZJUUUORDSA-N 0 3 212.293 0.376 20 0 BCADHN c1nc2n(c1CN[C@@H]1CCCOC1)CCOC2 ZINC000722826351 710720617 /nfs/dbraw/zinc/72/06/17/710720617.db2.gz GLFLEBYJCDWJSK-SNVBAGLBSA-N 0 3 237.303 0.682 20 0 BCADHN C[C@H]1OCC[C@@H]1NCc1cnc2n1CCOC2 ZINC000722827443 710720833 /nfs/dbraw/zinc/72/08/33/710720833.db2.gz PHUBUVCLVRPFKK-KOLCDFICSA-N 0 3 237.303 0.680 20 0 BCADHN CC(C)(CNCc1c[nH]cn1)CS(C)(=O)=O ZINC000723847540 710733222 /nfs/dbraw/zinc/73/32/22/710733222.db2.gz KDRLUZKWNINECB-UHFFFAOYSA-N 0 3 245.348 0.570 20 0 BCADHN CC(C)(CNCc1cnc[nH]1)CS(C)(=O)=O ZINC000723847540 710733225 /nfs/dbraw/zinc/73/32/25/710733225.db2.gz KDRLUZKWNINECB-UHFFFAOYSA-N 0 3 245.348 0.570 20 0 BCADHN O[C@H]1CCCN(CCO[C@H]2CCOC2)C1 ZINC000724974517 710751544 /nfs/dbraw/zinc/75/15/44/710751544.db2.gz BWDFEUMDYGUMIW-QWRGUYRKSA-N 0 3 215.293 0.249 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cncnc2C)C1 ZINC001046169779 710853260 /nfs/dbraw/zinc/85/32/60/710853260.db2.gz VUKWHTATASCFSO-CYBMUJFWSA-N 0 3 248.330 0.999 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cn(C)cn2)C1 ZINC001046243571 710857500 /nfs/dbraw/zinc/85/75/00/710857500.db2.gz FJFLQCLMFTULSI-LBPRGKRZSA-N 0 3 236.319 0.634 20 0 BCADHN C[C@@]1(NC(=O)[C@@H]2CC2(F)F)CCN(CCO)C1 ZINC001046301595 710857805 /nfs/dbraw/zinc/85/78/05/710857805.db2.gz DTPICGBLEHFEOH-WCBMZHEXSA-N 0 3 248.273 0.215 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2n[nH]cc2C)C1 ZINC001046305438 710858396 /nfs/dbraw/zinc/85/83/96/710858396.db2.gz JXVXAMWSWBACJW-GFCCVEGCSA-N 0 3 236.319 0.932 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2ncc[nH]2)C1 ZINC001046300709 710858853 /nfs/dbraw/zinc/85/88/53/710858853.db2.gz AQBWWJJOPXGWSN-NSHDSACASA-N 0 3 222.292 0.624 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2[nH]nnc2C)C1 ZINC001046528763 710861511 /nfs/dbraw/zinc/86/15/11/710861511.db2.gz ZDDLUDBJKUIGQV-LLVKDONJSA-N 0 3 237.307 0.327 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2[nH]nnc2C)C1 ZINC001046528778 710861602 /nfs/dbraw/zinc/86/16/02/710861602.db2.gz ZDDLUDBJKUIGQV-NSHDSACASA-N 0 3 237.307 0.327 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001046541124 710861953 /nfs/dbraw/zinc/86/19/53/710861953.db2.gz LZKJZIRYMGBJMF-FOGDFJRCSA-N 0 3 226.320 0.215 20 0 BCADHN CN(Cc1cnc(N)cn1)C[C@H]1CCOC1 ZINC000398897396 710910751 /nfs/dbraw/zinc/91/07/51/710910751.db2.gz CDGUONKFBNTRAB-SECBINFHSA-N 0 3 222.292 0.527 20 0 BCADHN CC[C@@H]1CN(c2ccncc2CO)C[C@H]1O ZINC000399998310 710912886 /nfs/dbraw/zinc/91/28/86/710912886.db2.gz ULCSNDYXGKYZPW-BXKDBHETSA-N 0 3 222.288 0.781 20 0 BCADHN CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn[n-]2)CC1 ZINC001052519729 710916484 /nfs/dbraw/zinc/91/64/84/710916484.db2.gz AKANSXQZVBXGFX-SECBINFHSA-N 0 3 237.307 0.409 20 0 BCADHN CC[N@H+]1CCC[C@@H](NC(=O)c2cnn[n-]2)CC1 ZINC001052519729 710916488 /nfs/dbraw/zinc/91/64/88/710916488.db2.gz AKANSXQZVBXGFX-SECBINFHSA-N 0 3 237.307 0.409 20 0 BCADHN CC(=O)N1C[C@@H](C)[C@@H](NCc2cncn2C)C1 ZINC001054299644 710925937 /nfs/dbraw/zinc/92/59/37/710925937.db2.gz DLSWSBGXMZPZOO-SKDRFNHKSA-N 0 3 236.319 0.377 20 0 BCADHN CSCC(=O)N1C[C@H](C)[C@H](NCCF)C1 ZINC001054367207 710931651 /nfs/dbraw/zinc/93/16/51/710931651.db2.gz UBHSDFSNASLENO-DTWKUNHWSA-N 0 3 234.340 0.755 20 0 BCADHN C[C@H]1CN(C(=O)c2cnco2)C[C@H]1NCCF ZINC001054946936 710942253 /nfs/dbraw/zinc/94/22/53/710942253.db2.gz TXTREMVGPYWVMT-DTWKUNHWSA-N 0 3 241.266 0.694 20 0 BCADHN Cc1cc(NC[C@@H](C)CCCO)nc(N)n1 ZINC000384386626 710992913 /nfs/dbraw/zinc/99/29/13/710992913.db2.gz PWHVXBYXSKQZKL-QMMMGPOBSA-N 0 3 224.308 0.440 20 0 BCADHN CC(C)(C)C(=O)CCN(CCO)CCCO ZINC000385359851 711011753 /nfs/dbraw/zinc/01/17/53/711011753.db2.gz CFOLJMDCPOXQOZ-UHFFFAOYSA-N 0 3 231.336 0.668 20 0 BCADHN Cc1cc(N[C@@H](CO)C2CCCC2)nc(N)n1 ZINC000386146667 711023601 /nfs/dbraw/zinc/02/36/01/711023601.db2.gz HYQNESDOQGIFSA-JTQLQIEISA-N 0 3 236.319 0.582 20 0 BCADHN CC1(C)CN(c2ccncc2CO)C[C@H]1O ZINC000388106949 711051601 /nfs/dbraw/zinc/05/16/01/711051601.db2.gz WLFJMONKMNXBRR-LLVKDONJSA-N 0 3 222.288 0.781 20 0 BCADHN C[C@@H]1CN(Cc2ccc(N)nc2)C[C@@H]1O ZINC000388081187 711051725 /nfs/dbraw/zinc/05/17/25/711051725.db2.gz MGFBIVAQBMPJMH-SCZZXKLOSA-N 0 3 207.277 0.307 20 0 BCADHN CCOCCNC(=O)[C@H](N)CC1CC1 ZINC000388708083 711065705 /nfs/dbraw/zinc/06/57/05/711065705.db2.gz QEDLEDYRLHFZCU-SECBINFHSA-N 0 3 200.282 0.267 20 0 BCADHN Cn1cnc(CNC[C@@H]2CCCOC2)c1 ZINC000389628582 711084272 /nfs/dbraw/zinc/08/42/72/711084272.db2.gz LMDBHXBWDCWHNN-JTQLQIEISA-N 0 3 209.293 0.936 20 0 BCADHN CN(C)C[C@H](CO)Nc1cncc(Cl)n1 ZINC000389846608 711092816 /nfs/dbraw/zinc/09/28/16/711092816.db2.gz ONAYOBUEZYGPMY-SSDOTTSWSA-N 0 3 230.699 0.464 20 0 BCADHN CN(C)C(=O)CCCNCc1cnccn1 ZINC000390188266 711107905 /nfs/dbraw/zinc/10/79/05/711107905.db2.gz RWNGNKCNENQRSB-UHFFFAOYSA-N 0 3 222.292 0.435 20 0 BCADHN Cc1cc(N(C)Cc2ncc[nH]2)nc(N)n1 ZINC000390198118 711108377 /nfs/dbraw/zinc/10/83/77/711108377.db2.gz PWWNCJWWZXPUFA-UHFFFAOYSA-N 0 3 218.264 0.557 20 0 BCADHN Cc1cc(NC[C@H](C)C[C@@H](C)O)nc(N)n1 ZINC000390358227 711113879 /nfs/dbraw/zinc/11/38/79/711113879.db2.gz QXLCGYSZDFDDJS-VXNVDRBHSA-N 0 3 224.308 0.438 20 0 BCADHN Cc1nc([C@@H](C)N[C@@H]2CCCOC2)n[nH]1 ZINC000392375715 711144503 /nfs/dbraw/zinc/14/45/03/711144503.db2.gz INZSJCIUHOJLBW-VXNVDRBHSA-N 0 3 210.281 0.943 20 0 BCADHN COC1CC(N[C@H](C)c2n[nH]c(C)n2)C1 ZINC000392383496 711144521 /nfs/dbraw/zinc/14/45/21/711144521.db2.gz NTRFPISRXUDWNP-KXNKJCORSA-N 0 3 210.281 0.941 20 0 BCADHN Cn1cncc1CNCc1ccc(=O)[nH]c1 ZINC000392815234 711152427 /nfs/dbraw/zinc/15/24/27/711152427.db2.gz ZYTKKDYHMVNURZ-UHFFFAOYSA-N 0 3 218.260 0.811 20 0 BCADHN CCC[C@@H](CNCCS(=O)(=O)CC)OC ZINC000393487421 711160789 /nfs/dbraw/zinc/16/07/89/711160789.db2.gz LUWLJQWBWPRMTK-JTQLQIEISA-N 0 3 237.365 0.826 20 0 BCADHN CCC(=O)N[C@@H]1CC[C@@H](C)N(CCO)C1 ZINC001071282214 711184835 /nfs/dbraw/zinc/18/48/35/711184835.db2.gz GRZZJXGJPNDXEY-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@H]1CC[C@H](NC(=O)C2CC2)CN1CCO ZINC001071297814 711185646 /nfs/dbraw/zinc/18/56/46/711185646.db2.gz XFDCMAKSIPWJGZ-ONGXEEELSA-N 0 3 226.320 0.358 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@H](OC)C(C)C ZINC000394459414 711192610 /nfs/dbraw/zinc/19/26/10/711192610.db2.gz KOMBLLRWSLMKMX-UWVGGRQHSA-N 0 3 232.324 0.137 20 0 BCADHN C[C@@H]1CC[C@@H](NC(=O)C2(C)CC2)CN1CCO ZINC001071523515 711195543 /nfs/dbraw/zinc/19/55/43/711195543.db2.gz ZZXIIYRXLLORBL-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000394962774 711199761 /nfs/dbraw/zinc/19/97/61/711199761.db2.gz FQUKDFJMOHEAQX-OUAUKWLOSA-N 0 3 249.376 0.965 20 0 BCADHN CCN1C[C@@H](NC(=O)c2cnon2)CC[C@@H]1C ZINC001071916757 711210537 /nfs/dbraw/zinc/21/05/37/711210537.db2.gz QOOCTFQIOSIIAT-IUCAKERBSA-N 0 3 238.291 0.672 20 0 BCADHN CO[C@@H]1CN(CCC(=O)C(C)(C)C)C[C@H]1O ZINC000396061326 711220295 /nfs/dbraw/zinc/22/02/95/711220295.db2.gz HGLKADLCZVYSRL-NXEZZACHSA-N 0 3 229.320 0.683 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)c1ccnc(CO)c1 ZINC000399090694 711419642 /nfs/dbraw/zinc/41/96/42/711419642.db2.gz OROSHBLTHQKINO-ABKXIKBNSA-N 0 3 242.344 0.777 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCCOC1CCC1 ZINC000381415960 710634356 /nfs/dbraw/zinc/63/43/56/710634356.db2.gz WCRRZCMCVLBLIG-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN O=C(C(F)F)N1CC[C@@H]2CCN(CCO)[C@@H]2C1 ZINC001041875313 710771090 /nfs/dbraw/zinc/77/10/90/710771090.db2.gz CZTBAZFSXXOSOV-DTWKUNHWSA-N 0 3 248.273 0.167 20 0 BCADHN CC1(C)C[C@@H]1C(=O)N[C@]1(C)CCN(CCO)C1 ZINC001046251036 710856501 /nfs/dbraw/zinc/85/65/01/710856501.db2.gz IWXBSEKDIJTNTB-ZWNOBZJWSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@]1(NC(=O)[C@@H]2CC23CC3)CCN(CCO)C1 ZINC001046654919 710862692 /nfs/dbraw/zinc/86/26/92/710862692.db2.gz HBTIXBWGLULCHB-CMPLNLGQSA-N 0 3 238.331 0.359 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)CCc1cccnc1 ZINC000383059256 710923793 /nfs/dbraw/zinc/92/37/93/710923793.db2.gz CIOQFYYXSJKKSC-UHFFFAOYSA-N 0 3 237.303 0.624 20 0 BCADHN C[C@H](C[C@H]1CCC(=O)N1)NCc1nccn1C ZINC000383284317 710978755 /nfs/dbraw/zinc/97/87/55/710978755.db2.gz LRVMKLASMFRTIB-NXEZZACHSA-N 0 3 236.319 0.567 20 0 BCADHN C[C@H]1C[C@@H](NCc2cnn(C)n2)CN1C1CC1 ZINC000389820219 711090457 /nfs/dbraw/zinc/09/04/57/711090457.db2.gz CKHVBQGUWHTFDS-VHSXEESVSA-N 0 3 235.335 0.530 20 0 BCADHN C[C@@H]1CCCN1CCNCc1cnn(C)n1 ZINC000393910444 711177879 /nfs/dbraw/zinc/17/78/79/711177879.db2.gz BDZNLXZBAMINMO-SNVBAGLBSA-N 0 3 223.324 0.389 20 0 BCADHN COC(=O)c1cncc(N2CCN3CC[C@H]2C3)n1 ZINC000394320076 711189683 /nfs/dbraw/zinc/18/96/83/711189683.db2.gz GJFLNTWWRPVZCR-VIFPVBQESA-N 0 3 248.286 0.158 20 0 BCADHN COCC[C@@H](C)N1CCC2(C1)OCCO2 ZINC000396514686 711222090 /nfs/dbraw/zinc/22/20/90/711222090.db2.gz AGZJRXBUCFIYIB-SNVBAGLBSA-N 0 3 215.293 0.860 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1COC(C)(C)C1 ZINC000396839642 711370352 /nfs/dbraw/zinc/37/03/52/711370352.db2.gz GZNJQJHWLNFDPU-SECBINFHSA-N 0 3 235.349 0.578 20 0 BCADHN CCN1CCCO[C@H](CNC(C)=O)C1 ZINC001073506867 711440291 /nfs/dbraw/zinc/44/02/91/711440291.db2.gz YXWPTFYDSKHJJV-SNVBAGLBSA-N 0 3 200.282 0.233 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC001074550605 711442633 /nfs/dbraw/zinc/44/26/33/711442633.db2.gz COSDJOOOZDYOKO-AEJSXWLSSA-N 0 3 232.299 0.570 20 0 BCADHN CCN1CC([C@H](C)NC(=O)c2cnc(C)cn2)C1 ZINC000969244495 711453413 /nfs/dbraw/zinc/45/34/13/711453413.db2.gz XFDIEARJUJCNEL-JTQLQIEISA-N 0 3 248.330 0.855 20 0 BCADHN CCN1CCN(CCCN2CCOC2=O)CC1 ZINC000065949300 711456830 /nfs/dbraw/zinc/45/68/30/711456830.db2.gz UQPNDBVKBABLBE-UHFFFAOYSA-N 0 3 241.335 0.466 20 0 BCADHN CS(=O)(=O)CCN[C@H]1CCSC1 ZINC000037740411 711467801 /nfs/dbraw/zinc/46/78/01/711467801.db2.gz FDPNKTYEYKNSQJ-ZETCQYMHSA-N 0 3 209.336 0.126 20 0 BCADHN CC(C)CN1CC[C@@H]1CNC(=O)c1cncnc1 ZINC001038182359 711473530 /nfs/dbraw/zinc/47/35/30/711473530.db2.gz APPZXMRQDCJNID-GFCCVEGCSA-N 0 3 248.330 0.937 20 0 BCADHN CCOC(=O)[C@H]1CCN(CCOCCOC)C1 ZINC000932638466 711473929 /nfs/dbraw/zinc/47/39/29/711473929.db2.gz IYECLULUTHMTEJ-NSHDSACASA-N 0 3 245.319 0.534 20 0 BCADHN O=C(NCCN1CCCC1)c1cccc[n+]1[O-] ZINC000044915094 711486460 /nfs/dbraw/zinc/48/64/60/711486460.db2.gz VIOFWTUJSOMAFI-UHFFFAOYSA-N 0 3 235.287 0.146 20 0 BCADHN COCC[C@@H](COC)Nc1cc(C)nc(N)n1 ZINC000382450254 711509817 /nfs/dbraw/zinc/50/98/17/711509817.db2.gz KHKJLSGMYSECGV-VIFPVBQESA-N 0 3 240.307 0.083 20 0 BCADHN Cc1cc(NCC[C@H]2CC(=O)N(C)C2)nc(N)n1 ZINC000723564036 711517904 /nfs/dbraw/zinc/51/79/04/711517904.db2.gz CBIPOTSHHMXGLK-VIFPVBQESA-N 0 3 249.318 0.648 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1cc(F)cc(F)c1 ZINC000717356179 711596228 /nfs/dbraw/zinc/59/62/28/711596228.db2.gz XWRDFLZAJQCOFB-WRWORJQWSA-N 0 3 231.242 0.796 20 0 BCADHN Cn1cncc1CNC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724665888 711607207 /nfs/dbraw/zinc/60/72/07/711607207.db2.gz HJQBSXAGFYESQV-JLLWLGSASA-N 0 3 237.303 0.314 20 0 BCADHN Cc1n[nH]cc1CN[C@H]1CC12CC(O)C2 ZINC000724789847 711614705 /nfs/dbraw/zinc/61/47/05/711614705.db2.gz ASSLDSHBXVFEQQ-YVNMAJEFSA-N 0 3 207.277 0.721 20 0 BCADHN Cc1n[nH]cc1CN[C@@H]1CC12CC(O)C2 ZINC000724789846 711615075 /nfs/dbraw/zinc/61/50/75/711615075.db2.gz ASSLDSHBXVFEQQ-HSOILSAZSA-N 0 3 207.277 0.721 20 0 BCADHN CO[C@@H]1CCOC[C@H]1NCc1cc[nH]c1 ZINC000724863114 711621790 /nfs/dbraw/zinc/62/17/90/711621790.db2.gz LMGUQQCROPOBCS-GHMZBOCLSA-N 0 3 210.277 0.908 20 0 BCADHN CO[C@@H]1CCOC[C@H]1NCc1ccncc1 ZINC000724870348 711622778 /nfs/dbraw/zinc/62/27/78/711622778.db2.gz UWYIXODBTIPCAL-VXGBXAGGSA-N 0 3 222.288 0.975 20 0 BCADHN O[C@H](CNCCO[C@@H]1CCOC1)C(F)(F)F ZINC000724915267 711627673 /nfs/dbraw/zinc/62/76/73/711627673.db2.gz PHFPXNASTRUYHF-HTQZYQBOSA-N 0 3 243.225 0.305 20 0 BCADHN Cn1nccc1NC(=O)[C@H](N)CC1CC1 ZINC000393791227 711678499 /nfs/dbraw/zinc/67/84/99/711678499.db2.gz JACKAIRKWLRTNA-MRVPVSSYSA-N 0 3 208.265 0.486 20 0 BCADHN CCS(=O)(=O)CCN[C@H](C)[C@H]1CCCCO1 ZINC000393880714 711679502 /nfs/dbraw/zinc/67/95/02/711679502.db2.gz BVXFVPNSHAABAU-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN Cc1cc(N2CCC[C@H](CO)CC2)nc(N)n1 ZINC000383127751 711682946 /nfs/dbraw/zinc/68/29/46/711682946.db2.gz UUFVOALZGFKADT-JTQLQIEISA-N 0 3 236.319 0.796 20 0 BCADHN CN1CCC[C@@H]1Cn1cnc(C#N)c1C#N ZINC000395413023 711694621 /nfs/dbraw/zinc/69/46/21/711694621.db2.gz IRLMETGJHUKICT-SECBINFHSA-N 0 3 215.260 0.721 20 0 BCADHN CC[C@@H](CO)N[C@@H](C)C(=O)Nc1nccs1 ZINC000310015724 711702470 /nfs/dbraw/zinc/70/24/70/711702470.db2.gz KVGBNLFSJLCABQ-YUMQZZPRSA-N 0 3 243.332 0.831 20 0 BCADHN CCOC(=O)/C=C/CN(C)[C@@H](C)CO ZINC000124352526 711711649 /nfs/dbraw/zinc/71/16/49/711711649.db2.gz JLRAPMXWBGQDHH-CYNONHLPSA-N 0 3 201.266 0.418 20 0 BCADHN CCNC(=O)C(C)(C)CNCc1c[nH]cn1 ZINC000125106271 711717295 /nfs/dbraw/zinc/71/72/95/711717295.db2.gz MGVNSWLJGHCTCM-UHFFFAOYSA-N 0 3 224.308 0.662 20 0 BCADHN C[C@H]1CN(CCc2cn[nH]n2)Cc2c[nH]nc21 ZINC000931462279 711722734 /nfs/dbraw/zinc/72/27/34/711722734.db2.gz MUXQETPJKQBHAI-QMMMGPOBSA-N 0 3 232.291 0.690 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H](C)[C@@H](C)O ZINC000308591571 711726353 /nfs/dbraw/zinc/72/63/53/711726353.db2.gz KPQZWTMMTLIJLH-DJLDLDEBSA-N 0 3 223.338 0.169 20 0 BCADHN CC(C)C[C@@H](O)CNC(=O)[C@H](N)C1CCC1 ZINC000399130049 711743867 /nfs/dbraw/zinc/74/38/67/711743867.db2.gz MZAPNKHNKYOFRV-GHMZBOCLSA-N 0 3 228.336 0.637 20 0 BCADHN C[C@H](O)CN1CCCC[C@@H]1C1OCCO1 ZINC000725662912 711759296 /nfs/dbraw/zinc/75/92/96/711759296.db2.gz MWFDSVIJHFCUKK-VHSXEESVSA-N 0 3 215.293 0.595 20 0 BCADHN CC(=O)NC[C@H]1CCN(Cc2cnn(C)c2)C1 ZINC001028360134 711763752 /nfs/dbraw/zinc/76/37/52/711763752.db2.gz AOCHEKOZWRUVOT-LLVKDONJSA-N 0 3 236.319 0.378 20 0 BCADHN COCC1(NC[C@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000894351470 711769081 /nfs/dbraw/zinc/76/90/81/711769081.db2.gz FJMPLBKDCLVBEY-JGVFFNPUSA-N 0 3 249.257 0.809 20 0 BCADHN COCC1(NC[C@@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000894351469 711769257 /nfs/dbraw/zinc/76/92/57/711769257.db2.gz FJMPLBKDCLVBEY-HTQZYQBOSA-N 0 3 249.257 0.809 20 0 BCADHN COC1CC(C(=O)N[C@H]2CCN(C)[C@H]2C)C1 ZINC000928429549 711771913 /nfs/dbraw/zinc/77/19/13/711771913.db2.gz RCKPNYPFHVIGRK-PMUOWJKOSA-N 0 3 226.320 0.620 20 0 BCADHN CC(C)n1cncc1CNC[C@@H]1COCO1 ZINC000894884682 711774282 /nfs/dbraw/zinc/77/42/82/711774282.db2.gz INOTVPZFKLAEKQ-LLVKDONJSA-N 0 3 225.292 0.927 20 0 BCADHN CC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@H]1O ZINC001076655254 711806722 /nfs/dbraw/zinc/80/67/22/711806722.db2.gz HOUTVGYEYMUDIC-ZIAGYGMSSA-N 0 3 248.326 0.410 20 0 BCADHN CCCCN1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001076665588 711807568 /nfs/dbraw/zinc/80/75/68/711807568.db2.gz WDXFXYGMJNNYJV-VXGBXAGGSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001076666113 711807577 /nfs/dbraw/zinc/80/75/77/711807577.db2.gz OKCZTLQMRZHQJF-VXGBXAGGSA-N 0 3 240.347 0.604 20 0 BCADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)C2CC=CC2)C1 ZINC001076828466 711809550 /nfs/dbraw/zinc/80/95/50/711809550.db2.gz FNGZDMFQQTUDGQ-VXGBXAGGSA-N 0 3 238.331 0.522 20 0 BCADHN CN1CCC[C@@H]1C(=O)NC1CN(CC2CC2)C1 ZINC001030155938 711827146 /nfs/dbraw/zinc/82/71/46/711827146.db2.gz RRIUEOAPKVPEHU-GFCCVEGCSA-N 0 3 237.347 0.291 20 0 BCADHN C[C@@]1(O)CCCN(c2ccnc(CO)c2)C1 ZINC000157493427 711828264 /nfs/dbraw/zinc/82/82/64/711828264.db2.gz HNCBEDGEYQLYQZ-GFCCVEGCSA-N 0 3 222.288 0.925 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@@H]1C[C@@H]1C ZINC000228717085 711835988 /nfs/dbraw/zinc/83/59/88/711835988.db2.gz WTPPKHOBRKZRBT-CIUDSAMLSA-N 0 3 200.282 0.122 20 0 BCADHN COCC[C@@H](N)C(=O)N[C@@H](C)CCSC ZINC000228943800 711836933 /nfs/dbraw/zinc/83/69/33/711836933.db2.gz TWRWHBOCIXVPRS-DTWKUNHWSA-N 0 3 234.365 0.608 20 0 BCADHN CON1CC[C@@H](N2CCC(C)(C)C2)C1=O ZINC000929750292 711849795 /nfs/dbraw/zinc/84/97/95/711849795.db2.gz SVHWOCDMMNIXCT-SECBINFHSA-N 0 3 212.293 0.881 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1CC12CCC2 ZINC000721269143 711863558 /nfs/dbraw/zinc/86/35/58/711863558.db2.gz HCUVYNAZEWINGJ-SECBINFHSA-N 0 3 217.334 0.953 20 0 BCADHN C[C@H]1[C@@H](NC(=O)NCCF)CCN1C ZINC000925337207 711890265 /nfs/dbraw/zinc/89/02/65/711890265.db2.gz HZGOCIPEPYJUMQ-YUMQZZPRSA-N 0 3 203.261 0.348 20 0 BCADHN C[C@@H](CF)NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925338239 711898645 /nfs/dbraw/zinc/89/86/45/711898645.db2.gz ZJLBMPHVSUACRI-YIZRAAEISA-N 0 3 217.288 0.736 20 0 BCADHN CCCC(=O)N(CCO)C1CCN(C)CC1 ZINC000083924924 711921538 /nfs/dbraw/zinc/92/15/38/711921538.db2.gz XBQYWCBTBZCYLY-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NC1(CCO)CC1 ZINC000820433869 711923361 /nfs/dbraw/zinc/92/33/61/711923361.db2.gz LTNNRZMYXIWQOA-LLVKDONJSA-N 0 3 240.347 0.890 20 0 BCADHN Cn1nc2c(c1CNCC[S@](C)=O)CCC2 ZINC000921751129 711938997 /nfs/dbraw/zinc/93/89/97/711938997.db2.gz DTGWSHBMRZJVCS-INIZCTEOSA-N 0 3 241.360 0.377 20 0 BCADHN CO[C@H](C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001032828735 711953377 /nfs/dbraw/zinc/95/33/77/711953377.db2.gz MCUPGOFMOXIODK-WISYIIOYSA-N 0 3 240.347 0.868 20 0 BCADHN CO[C@H](C)CN1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001032838931 711958469 /nfs/dbraw/zinc/95/84/69/711958469.db2.gz MCUPGOFMOXIODK-QCNOEVLYSA-N 0 3 240.347 0.868 20 0 BCADHN COCCN1CC[C@H](N(C)C(C)=O)C1 ZINC001032850961 711962695 /nfs/dbraw/zinc/96/26/95/711962695.db2.gz GKAFENFINQRTKC-JTQLQIEISA-N 0 3 200.282 0.185 20 0 BCADHN CC(=O)N(C)[C@@H]1CCN(CCn2cccn2)C1 ZINC001032852539 711963984 /nfs/dbraw/zinc/96/39/84/711963984.db2.gz OMSZTZBEQHQJBG-GFCCVEGCSA-N 0 3 236.319 0.436 20 0 BCADHN CC(C)C(=O)N(C)[C@H]1CCN(C[C@H](C)O)C1 ZINC001032918010 711967818 /nfs/dbraw/zinc/96/78/18/711967818.db2.gz JNOXDJDUEKXISZ-QWRGUYRKSA-N 0 3 228.336 0.556 20 0 BCADHN CC(C)C(=O)N(C)[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001032918008 711968168 /nfs/dbraw/zinc/96/81/68/711968168.db2.gz JNOXDJDUEKXISZ-GHMZBOCLSA-N 0 3 228.336 0.556 20 0 BCADHN CN(C(=O)CC1CCC1)[C@@H]1CCN(CCO)C1 ZINC001032974424 711970332 /nfs/dbraw/zinc/97/03/32/711970332.db2.gz YTNLOQQSFUUCGI-GFCCVEGCSA-N 0 3 240.347 0.702 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2cc(C)ncn2)C1 ZINC001033016397 711970943 /nfs/dbraw/zinc/97/09/43/711970943.db2.gz AYBKLMXDXMHIKZ-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN C[C@@H](CCNCc1c[nH]cn1)[S@@](C)=O ZINC000132599522 711972782 /nfs/dbraw/zinc/97/27/82/711972782.db2.gz QTHZVCLNTMWFAU-RTHLEPHNSA-N 0 3 215.322 0.656 20 0 BCADHN C[C@@H](CCNCc1cnc[nH]1)[S@@](C)=O ZINC000132599522 711972784 /nfs/dbraw/zinc/97/27/84/711972784.db2.gz QTHZVCLNTMWFAU-RTHLEPHNSA-N 0 3 215.322 0.656 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2csnn2)C1 ZINC001033306709 711981621 /nfs/dbraw/zinc/98/16/21/711981621.db2.gz PPBHPPHDFXZBRA-MRVPVSSYSA-N 0 3 240.332 0.704 20 0 BCADHN COc1cncc(CN[C@H](C)CC(N)=O)c1 ZINC000700015680 711982419 /nfs/dbraw/zinc/98/24/19/711982419.db2.gz DISXQDHVGINNBK-MRVPVSSYSA-N 0 3 223.276 0.444 20 0 BCADHN CC[S@](=O)CCNCc1cncc(OC)c1 ZINC000700047290 711985121 /nfs/dbraw/zinc/98/51/21/711985121.db2.gz JJZLRUWALUJJMN-INIZCTEOSA-N 0 3 242.344 0.948 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001033437995 711990684 /nfs/dbraw/zinc/99/06/84/711990684.db2.gz MFVLEGZJXMRXON-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2cnon2)C1 ZINC001033517633 711999576 /nfs/dbraw/zinc/99/95/76/711999576.db2.gz HJDLGYMZVLXDNI-QMMMGPOBSA-N 0 3 224.264 0.236 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2ccncn2)C1 ZINC001033517413 711999613 /nfs/dbraw/zinc/99/96/13/711999613.db2.gz FOGWIMJTBUYIMV-SNVBAGLBSA-N 0 3 234.303 0.643 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC001033535659 712003901 /nfs/dbraw/zinc/00/39/01/712003901.db2.gz HYZSRIUIARQNLP-WCQYABFASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C\c2cnn(C)c2)[C@H](C)CN1 ZINC000701388912 712022308 /nfs/dbraw/zinc/02/23/08/712022308.db2.gz RWHRISDTUXJBID-WQMVXFAESA-N 0 3 248.330 0.642 20 0 BCADHN Cn1cc(/C=C/C(=O)N2CCNCC2(C)C)cn1 ZINC000701386416 712022341 /nfs/dbraw/zinc/02/23/41/712022341.db2.gz GBSLOROCACXMFG-SNAWJCMRSA-N 0 3 248.330 0.644 20 0 BCADHN C[NH+](C)C1CC(NC(=O)c2cncc([O-])c2)C1 ZINC000701474867 712024429 /nfs/dbraw/zinc/02/44/29/712024429.db2.gz SYMDBAWVRUKBFY-UHFFFAOYSA-N 0 3 235.287 0.610 20 0 BCADHN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H](N)CN(C)C)C1 ZINC000702341094 712045032 /nfs/dbraw/zinc/04/50/32/712045032.db2.gz LCOTZLGFXHWCLP-UTUOFQBUSA-N 0 3 241.379 0.912 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)CN(C)C)c1cscn1 ZINC000702352243 712046290 /nfs/dbraw/zinc/04/62/90/712046290.db2.gz QVWSXDKJAJTLOL-SFYZADRCSA-N 0 3 242.348 0.209 20 0 BCADHN C[C@@H](C1CC1)N(C)C(=O)[C@@H](N)CN(C)C ZINC000702384575 712049214 /nfs/dbraw/zinc/04/92/14/712049214.db2.gz JYMOYMCQSPJBMM-WPRPVWTQSA-N 0 3 213.325 0.132 20 0 BCADHN C[C@H](N(C)C(=O)[C@@H](N)CN(C)C)C1(C)CC1 ZINC000702390323 712049913 /nfs/dbraw/zinc/04/99/13/712049913.db2.gz YBAYEHIOPZSQFL-UWVGGRQHSA-N 0 3 227.352 0.522 20 0 BCADHN C[C@@H]1[C@H](C)SCCN1C(=O)[C@@H](N)CN(C)C ZINC000702393698 712050003 /nfs/dbraw/zinc/05/00/03/712050003.db2.gz HNQQTHNOONQQHQ-UTLUCORTSA-N 0 3 245.392 0.228 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@@H]1CC1(C)C ZINC000702386457 712050073 /nfs/dbraw/zinc/05/00/73/712050073.db2.gz PBJMRXDXXUDSGM-IUCAKERBSA-N 0 3 213.325 0.038 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000702402349 712050693 /nfs/dbraw/zinc/05/06/93/712050693.db2.gz RFZQHZFJHVFMRP-TUAOUCFPSA-N 0 3 237.347 0.300 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)[C@@H](N)CN(C)C ZINC000702401676 712050791 /nfs/dbraw/zinc/05/07/91/712050791.db2.gz NZPHNHCRFLAXCK-ZJUUUORDSA-N 0 3 215.341 0.380 20 0 BCADHN CC1(C)C[C@@]1(C)CNS(=O)(=O)C1CNC1 ZINC000702410816 712051313 /nfs/dbraw/zinc/05/13/13/712051313.db2.gz UFEBSPMWNSAWMM-JTQLQIEISA-N 0 3 232.349 0.314 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)CN(C)C)c1ccccc1 ZINC000702417223 712051450 /nfs/dbraw/zinc/05/14/50/712051450.db2.gz MNMVRCMCWSVMBS-JQWIXIFHSA-N 0 3 235.331 0.753 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@]1(C)CC1(C)C ZINC000702414296 712051931 /nfs/dbraw/zinc/05/19/31/712051931.db2.gz VFZYVPZOPKMXCA-KWQFWETISA-N 0 3 214.309 0.655 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC(C)(C)c1ccccc1 ZINC000702420718 712052141 /nfs/dbraw/zinc/05/21/41/712052141.db2.gz NGKJNPBLQYSTAW-LBPRGKRZSA-N 0 3 249.358 0.927 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000702430089 712052371 /nfs/dbraw/zinc/05/23/71/712052371.db2.gz MIGWRJJNLASDPL-AAEUAGOBSA-N 0 3 247.342 0.331 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC1Cc2ccccc2C1 ZINC000702429575 712052587 /nfs/dbraw/zinc/05/25/87/712052587.db2.gz LHELAFDMOKEQIN-ZDUSSCGKSA-N 0 3 247.342 0.159 20 0 BCADHN O=S(=O)(C1CNC1)N1CCCC2(CC2)CC1 ZINC000702511305 712054674 /nfs/dbraw/zinc/05/46/74/712054674.db2.gz JKJPZZNTBVCVCR-UHFFFAOYSA-N 0 3 244.360 0.554 20 0 BCADHN CN1CC[C@](O)(CNc2cc(F)ncn2)C1 ZINC000702552754 712055009 /nfs/dbraw/zinc/05/50/09/712055009.db2.gz CEEFJVGOZSJZJE-JTQLQIEISA-N 0 3 226.255 0.094 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCCN(CCO)C1 ZINC001034343516 712060833 /nfs/dbraw/zinc/06/08/33/712060833.db2.gz TVBGGMMFGMJOIB-IJLUTSLNSA-N 0 3 240.347 0.605 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCCC(F)(F)CC1 ZINC000702803216 712061651 /nfs/dbraw/zinc/06/16/51/712061651.db2.gz NSGOYFSFICCIHK-VIFPVBQESA-N 0 3 249.305 0.523 20 0 BCADHN CN(Cc1ccc(N)nn1)[C@@H](CO)C(C)(C)C ZINC000703917287 712094018 /nfs/dbraw/zinc/09/40/18/712094018.db2.gz LWMNEAUAAZQXIX-JTQLQIEISA-N 0 3 238.335 0.898 20 0 BCADHN Nc1ccc(CN2CC[C@H](CCO)C2)nn1 ZINC000703926107 712094688 /nfs/dbraw/zinc/09/46/88/712094688.db2.gz CIPGESZEGLDQHS-SECBINFHSA-N 0 3 222.292 0.263 20 0 BCADHN COC[C@@H]1CCN(Cc2ccc(N)nn2)C1 ZINC000703928291 712094861 /nfs/dbraw/zinc/09/48/61/712094861.db2.gz XUYVZQBSMCCVET-SECBINFHSA-N 0 3 222.292 0.527 20 0 BCADHN CN(Cc1ccc(N)nn1)C[C@@H]1CCC[C@@H]1O ZINC000703932068 712095410 /nfs/dbraw/zinc/09/54/10/712095410.db2.gz GYMJBUCFCDQZJM-ONGXEEELSA-N 0 3 236.319 0.652 20 0 BCADHN CN(CCCCCO)Cc1ccc(N)nn1 ZINC000703974249 712096967 /nfs/dbraw/zinc/09/69/67/712096967.db2.gz RMRKYNRXMFKYFM-UHFFFAOYSA-N 0 3 224.308 0.653 20 0 BCADHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(N)nn1 ZINC000703967140 712097051 /nfs/dbraw/zinc/09/70/51/712097051.db2.gz NDQFNKLUGKUHDZ-DTWKUNHWSA-N 0 3 249.318 0.145 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1Cc1ccc(N)nn1 ZINC000703967094 712097138 /nfs/dbraw/zinc/09/71/38/712097138.db2.gz HJLLINWHOFBWBB-GXSJLCMTSA-N 0 3 236.319 0.794 20 0 BCADHN Cc1cc(N[C@@H]2CCCN(C)C2=O)nc(N)n1 ZINC000704325158 712104349 /nfs/dbraw/zinc/10/43/49/712104349.db2.gz FREQZRFUQUHUQY-MRVPVSSYSA-N 0 3 235.291 0.400 20 0 BCADHN COCCNCC(=O)NCC[C@@H]1CCSC1 ZINC000704918741 712121718 /nfs/dbraw/zinc/12/17/18/712121718.db2.gz NIVDNNUJBLERAH-SNVBAGLBSA-N 0 3 246.376 0.482 20 0 BCADHN OC[C@H]1CN(C/C=C\Cl)C[C@H]1CO ZINC000705291387 712127937 /nfs/dbraw/zinc/12/79/37/712127937.db2.gz LXZDMSGFQXTRRI-HBLOBNAQSA-N 0 3 205.685 0.272 20 0 BCADHN Cc1ccc(CN2C[C@H](CO)[C@H](CO)C2)cn1 ZINC000705335317 712129217 /nfs/dbraw/zinc/12/92/17/712129217.db2.gz WYYGUQDCGQPPQZ-BETUJISGSA-N 0 3 236.315 0.423 20 0 BCADHN CCC[C@@H](CNC(=O)[C@H](N)CCOC)OCC ZINC000705365985 712130723 /nfs/dbraw/zinc/13/07/23/712130723.db2.gz WCDUBQYNIVQMKO-WDEREUQCSA-N 0 3 246.351 0.672 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000705371333 712130748 /nfs/dbraw/zinc/13/07/48/712130748.db2.gz FXEZKHNMGVEERA-NSHDSACASA-N 0 3 246.314 0.995 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@@H]1CCc2ccccc21 ZINC000705371353 712130751 /nfs/dbraw/zinc/13/07/51/712130751.db2.gz GMRISLGIONRRPN-QWHCGFSZSA-N 0 3 247.342 0.679 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCCc2ccccc21 ZINC000705373655 712130991 /nfs/dbraw/zinc/13/09/91/712130991.db2.gz YZGSSICCYPSGBS-LBPRGKRZSA-N 0 3 247.342 0.855 20 0 BCADHN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000705419455 712131427 /nfs/dbraw/zinc/13/14/27/712131427.db2.gz LUMPJBFRNMMVJK-UTUOFQBUSA-N 0 3 241.379 0.818 20 0 BCADHN C[C@@H](CNC(=O)[C@@H](N)CN(C)C)c1ccccc1 ZINC000705429220 712131496 /nfs/dbraw/zinc/13/14/96/712131496.db2.gz VDOIJSURKKOJMO-AAEUAGOBSA-N 0 3 249.358 0.795 20 0 BCADHN Cc1c(CN2C[C@@H](C)[C@H](O)C2)cnn1C ZINC000705808087 712135758 /nfs/dbraw/zinc/13/57/58/712135758.db2.gz DDYGREOYQMDDOT-LDYMZIIASA-N 0 3 209.293 0.541 20 0 BCADHN c1ccc2c(c1)CC(N[C@@H]1CNOC1)C2 ZINC000705824530 712136405 /nfs/dbraw/zinc/13/64/05/712136405.db2.gz PKJVPAMMURANRY-GFCCVEGCSA-N 0 3 204.273 0.647 20 0 BCADHN CCC(=O)N1CCC2(CN(C[C@@H](C)O)C2)CC1 ZINC001035629526 712138368 /nfs/dbraw/zinc/13/83/68/712138368.db2.gz HCXKIWWSQVIWPQ-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN CCS(=O)(=O)N1C[C@@]2(C)CN(C)C[C@]2(C)C1 ZINC000706274326 712142500 /nfs/dbraw/zinc/14/25/00/712142500.db2.gz FGPRZNUOTVVQBX-GHMZBOCLSA-N 0 3 246.376 0.610 20 0 BCADHN CCS(=O)(=O)N1C[C@]2(C)CN(C)C[C@@]2(C)C1 ZINC000706274333 712142656 /nfs/dbraw/zinc/14/26/56/712142656.db2.gz FGPRZNUOTVVQBX-QWRGUYRKSA-N 0 3 246.376 0.610 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1C[C@H](OC)C1 ZINC000706609827 712151307 /nfs/dbraw/zinc/15/13/07/712151307.db2.gz KIOBXSAFIFFYBM-KYZUINATSA-N 0 3 221.322 0.188 20 0 BCADHN Cc1cc(CN[C@H]2C[C@@H](CO)C2)n(C)n1 ZINC000707672413 712176424 /nfs/dbraw/zinc/17/64/24/712176424.db2.gz GJFDJWVJCIHZOQ-AOOOYVTPSA-N 0 3 209.293 0.589 20 0 BCADHN CN(C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@@H]1COC[C@H]1O ZINC000708745385 712198344 /nfs/dbraw/zinc/19/83/44/712198344.db2.gz JKRRCUGRZYRQCI-YYHQMBLXSA-N 0 3 241.331 0.636 20 0 BCADHN CC(C)(C)CN(CCO)Cc1cnc(N)cn1 ZINC000708531669 712211995 /nfs/dbraw/zinc/21/19/95/712211995.db2.gz KBCRYTNNDOVMDO-UHFFFAOYSA-N 0 3 238.335 0.899 20 0 BCADHN CCN1CC[C@@H](N(C)[C@@H]2CCC[C@H]2O)C1=O ZINC000708595162 712213828 /nfs/dbraw/zinc/21/38/28/712213828.db2.gz NUJRFUBEHUWORT-GMTAPVOTSA-N 0 3 226.320 0.452 20 0 BCADHN COCC[C@@](C)(O)CN[C@@H](C)c1cn(C)cn1 ZINC000709918746 712232788 /nfs/dbraw/zinc/23/27/88/712232788.db2.gz HNBCFQQXYAJFHS-CMPLNLGQSA-N 0 3 241.335 0.858 20 0 BCADHN CCC(C)(C)[C@H](C)NS(=O)(=O)C1CNC1 ZINC000710025009 712241446 /nfs/dbraw/zinc/24/14/46/712241446.db2.gz NLXUNOZPGSCCNI-QMMMGPOBSA-N 0 3 234.365 0.702 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1csc(C)c1 ZINC000710771745 712256481 /nfs/dbraw/zinc/25/64/81/712256481.db2.gz XZUCEHCDUQLDJP-QMMMGPOBSA-N 0 3 214.290 0.969 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@@H]1C[C@@H](O)C1(C)C ZINC000710944515 712267170 /nfs/dbraw/zinc/26/71/70/712267170.db2.gz CNSLIGXLEZGJLU-IVZWLZJFSA-N 0 3 229.320 0.887 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@H]1CCOC1 ZINC000710960071 712268489 /nfs/dbraw/zinc/26/84/89/712268489.db2.gz MFZIDYGOCYHIEG-IUCAKERBSA-N 0 3 201.266 0.516 20 0 BCADHN C[C@@H]1C[C@@H](N[C@@H]2CS(=O)(=O)C[C@@H]2C)CO1 ZINC000711678561 712315736 /nfs/dbraw/zinc/31/57/36/712315736.db2.gz FFWROHIUJMLMPD-SGIHWFKDSA-N 0 3 233.333 0.187 20 0 BCADHN CC(=O)NCCCNCc1nccn1C1CC1 ZINC000711755270 712324822 /nfs/dbraw/zinc/32/48/22/712324822.db2.gz HPFZPTYDCSDUKI-UHFFFAOYSA-N 0 3 236.319 0.834 20 0 BCADHN NC1(C(=O)N[C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000711858653 712335922 /nfs/dbraw/zinc/33/59/22/712335922.db2.gz RXDXPNGDDRLWKN-GHMZBOCLSA-N 0 3 238.331 0.799 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1ccccn1 ZINC001079357244 712347638 /nfs/dbraw/zinc/34/76/38/712347638.db2.gz BUBDBUXESAKGOR-ZYHUDNBSSA-N 0 3 249.314 0.124 20 0 BCADHN COCCN1C[C@@H](C)[C@H](NC(=O)C2(C)CC2)C1 ZINC001079742037 712350808 /nfs/dbraw/zinc/35/08/08/712350808.db2.gz GFARBCPAOMPMIJ-GHMZBOCLSA-N 0 3 240.347 0.869 20 0 BCADHN CN(C)CCONC(=O)[C@@H]1CC1(C)C ZINC000379117618 712370032 /nfs/dbraw/zinc/37/00/32/712370032.db2.gz VALDNKGKASNMSQ-QMMMGPOBSA-N 0 3 200.282 0.642 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccc[nH]c2=O)[C@@H]1C ZINC000379425315 712384086 /nfs/dbraw/zinc/38/40/86/712384086.db2.gz AAHHMXOYUKWPKB-RKDXNWHRSA-N 0 3 235.287 0.610 20 0 BCADHN Cc1cc([C@H](C)N[C@@H](C)CC(N)=O)n(C)n1 ZINC000381032570 712395572 /nfs/dbraw/zinc/39/55/72/712395572.db2.gz BZQBJBWBMIBGPH-CBAPKCEASA-N 0 3 224.308 0.643 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2cccc[n+]2[O-])C1 ZINC000744799515 712404195 /nfs/dbraw/zinc/40/41/95/712404195.db2.gz NATBKYMERLXKLF-NSHDSACASA-N 0 3 249.314 0.392 20 0 BCADHN CN1CCN(C(=O)c2nc[nH]n2)CCC1(C)C ZINC000712609363 712437252 /nfs/dbraw/zinc/43/72/52/712437252.db2.gz MTILSFKXHAQQIE-UHFFFAOYSA-N 0 3 237.307 0.361 20 0 BCADHN CCN1CC[C@H]1CNCc1nc(C)c[nH]1 ZINC000712530542 712441474 /nfs/dbraw/zinc/44/14/74/712441474.db2.gz OSOPKROMRXBVRK-JTQLQIEISA-N 0 3 208.309 0.902 20 0 BCADHN CN1CC[C@@H]1CNCc1c(Cl)cnn1C ZINC000712555816 712445498 /nfs/dbraw/zinc/44/54/98/712445498.db2.gz HQBJWSWQTJXEDT-MRVPVSSYSA-N 0 3 228.727 0.867 20 0 BCADHN CN1CC[C@H]1CNCc1cc(C(N)=O)cs1 ZINC000712570864 712447439 /nfs/dbraw/zinc/44/74/39/712447439.db2.gz GXZSYHXQWNGJRV-VIFPVBQESA-N 0 3 239.344 0.641 20 0 BCADHN CCN1CC[C@@H]1CNc1ncnc2nc[nH]c21 ZINC000712576950 712448226 /nfs/dbraw/zinc/44/82/26/712448226.db2.gz CFEAWEVCSZAVFW-MRVPVSSYSA-N 0 3 232.291 0.811 20 0 BCADHN COC(OC)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712693955 712448377 /nfs/dbraw/zinc/44/83/77/712448377.db2.gz WXSALSPXLLRNTR-UHFFFAOYSA-N 0 3 244.335 0.548 20 0 BCADHN CCn1cc(CNCC2(N(C)C)CC2)nn1 ZINC000714937106 712500575 /nfs/dbraw/zinc/50/05/75/712500575.db2.gz XEUKNDILXBRJFP-UHFFFAOYSA-N 0 3 223.324 0.482 20 0 BCADHN CCNC(=O)C(C)(C)NC[C@H]1COC(C)(C)O1 ZINC000715082537 712507264 /nfs/dbraw/zinc/50/72/64/712507264.db2.gz QZHWMTHMIDHQGL-VIFPVBQESA-N 0 3 244.335 0.642 20 0 BCADHN CC[C@H](NC[C@H]1COC(C)(C)O1)C(=O)NC ZINC000715121780 712510643 /nfs/dbraw/zinc/51/06/43/712510643.db2.gz LCEYFKWEDZSOOG-IUCAKERBSA-N 0 3 230.308 0.252 20 0 BCADHN CN(C[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1COC[C@H]1O ZINC000715401894 712517094 /nfs/dbraw/zinc/51/70/94/712517094.db2.gz KGGYQVVXTLCDHF-LOWDOPEQSA-N 0 3 241.331 0.636 20 0 BCADHN N[C@H](C(=O)N1C[C@H]2[C@@H](C1)C2(F)F)C1CCC1 ZINC000715431600 712518960 /nfs/dbraw/zinc/51/89/60/712518960.db2.gz MAJNKKGKQULSCW-YIZRAAEISA-N 0 3 230.258 0.837 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](Cn1ccnc1)C(C)(C)C ZINC000036999270 712528987 /nfs/dbraw/zinc/52/89/87/712528987.db2.gz MCVCZCZFIJDGDD-NXEZZACHSA-N 0 3 238.335 0.761 20 0 BCADHN COCC[C@H](C)N[C@@H](C)c1cn(C)nn1 ZINC000715896349 712540653 /nfs/dbraw/zinc/54/06/53/712540653.db2.gz ZHLJOWHMZBEPMO-IUCAKERBSA-N 0 3 212.297 0.891 20 0 BCADHN C[C@H](N[C@@H]1CCOC[C@H]1C)c1cn(C)nn1 ZINC000715905927 712541632 /nfs/dbraw/zinc/54/16/32/712541632.db2.gz DOVNFOVBQFAAAL-KXUCPTDWSA-N 0 3 224.308 0.891 20 0 BCADHN C[C@H](NC[C@@H]1CC[C@H](O)C1)c1cn(C)nn1 ZINC000715914448 712542087 /nfs/dbraw/zinc/54/20/87/712542087.db2.gz UMIAODPTPDHUMZ-AEJSXWLSSA-N 0 3 224.308 0.627 20 0 BCADHN CNC(=O)CCN[C@H](C)c1ccns1 ZINC000715923527 712542682 /nfs/dbraw/zinc/54/26/82/712542682.db2.gz VSZHNLZKXUJATN-SSDOTTSWSA-N 0 3 213.306 0.930 20 0 BCADHN COC[C@H](O)CN[C@H](C)c1ccns1 ZINC000715922799 712542801 /nfs/dbraw/zinc/54/28/01/712542801.db2.gz SUCXGKDGRBHIIL-HTQZYQBOSA-N 0 3 216.306 0.801 20 0 BCADHN CO[C@@H](CN)C(=O)NCCCCC1CC1 ZINC000716342924 712555440 /nfs/dbraw/zinc/55/54/40/712555440.db2.gz FFZXKHSRCUKRPC-JTQLQIEISA-N 0 3 214.309 0.657 20 0 BCADHN CCC(F)(F)C(=O)N[C@@H](CO)CN(C)C ZINC000716689804 712570504 /nfs/dbraw/zinc/57/05/04/712570504.db2.gz KDJYXBNARAKKJA-SSDOTTSWSA-N 0 3 224.251 0.070 20 0 BCADHN CCC(=O)CNC(=O)C12CCN(CC1)C2 ZINC000716729653 712571207 /nfs/dbraw/zinc/57/12/07/712571207.db2.gz HBCKXFJEBGEQHY-UHFFFAOYSA-N 0 3 210.277 0.178 20 0 BCADHN CCN(CC(=O)NC)CC1(C(=O)OC)CC1 ZINC000827473855 712593355 /nfs/dbraw/zinc/59/33/55/712593355.db2.gz XUYLASCOBNPDRZ-UHFFFAOYSA-N 0 3 228.292 0.008 20 0 BCADHN CCOCCOCCN1C[C@H]2C[C@@]2(CO)C1 ZINC000930250987 712615517 /nfs/dbraw/zinc/61/55/17/712615517.db2.gz HOKGXAPSCQNOJD-NEPJUHHUSA-N 0 3 229.320 0.354 20 0 BCADHN CCOCCOCCN1C[C@@H]2C[C@]2(CO)C1 ZINC000930250988 712615545 /nfs/dbraw/zinc/61/55/45/712615545.db2.gz HOKGXAPSCQNOJD-NWDGAFQWSA-N 0 3 229.320 0.354 20 0 BCADHN CO[C@@H](C)CC(=O)N1CCNC(C)(C)C1 ZINC000379918041 712626753 /nfs/dbraw/zinc/62/67/53/712626753.db2.gz FAWSGUPJCTVNQP-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)n1cncc1CNC[C@@H](O)[C@@H](C)O ZINC000717306067 712645961 /nfs/dbraw/zinc/64/59/61/712645961.db2.gz HZEDJIMSVBYSEI-MWLCHTKSSA-N 0 3 227.308 0.295 20 0 BCADHN Cc1ccc(CNC[C@H](O)[C@@H](C)O)cc1F ZINC000717306495 712645970 /nfs/dbraw/zinc/64/59/70/712645970.db2.gz IGLKAARLXRLCQB-SKDRFNHKSA-N 0 3 227.279 0.965 20 0 BCADHN Cc1cc(CNC[C@@H](O)[C@@H](C)O)ccc1F ZINC000717305162 712645991 /nfs/dbraw/zinc/64/59/91/712645991.db2.gz DFZLVXLAGQBITL-BXKDBHETSA-N 0 3 227.279 0.965 20 0 BCADHN COc1cc(F)cc(CNC[C@@H](O)[C@@H](C)O)c1 ZINC000717357004 712650512 /nfs/dbraw/zinc/65/05/12/712650512.db2.gz AFSSKSJVXHEYSU-PRHODGIISA-N 0 3 243.278 0.666 20 0 BCADHN Cn1cnc(CNC[C@]2(C)CCOC2)c1 ZINC000380003756 712651894 /nfs/dbraw/zinc/65/18/94/712651894.db2.gz OGYBAIXLSUOKQD-NSHDSACASA-N 0 3 209.293 0.936 20 0 BCADHN COc1ccc(C)cc1CNC[C@H](O)[C@H](C)O ZINC000717394697 712654063 /nfs/dbraw/zinc/65/40/63/712654063.db2.gz KEJOUIWXRPBXPL-JQWIXIFHSA-N 0 3 239.315 0.835 20 0 BCADHN COc1ccc(C)cc1CNC[C@H](O)[C@@H](C)O ZINC000717394699 712654185 /nfs/dbraw/zinc/65/41/85/712654185.db2.gz KEJOUIWXRPBXPL-PWSUYJOCSA-N 0 3 239.315 0.835 20 0 BCADHN C[C@H](O)[C@H](O)CNc1ccnc2ccccc21 ZINC000717417161 712656605 /nfs/dbraw/zinc/65/66/05/712656605.db2.gz VOJVJFWLIRJBQJ-TVQRCGJNSA-N 0 3 232.283 0.810 20 0 BCADHN COCC[C@H](N)C(=O)NCCOC1CCCC1 ZINC000111640856 712688065 /nfs/dbraw/zinc/68/80/65/712688065.db2.gz OBBNYFBMNPWLOA-NSHDSACASA-N 0 3 244.335 0.426 20 0 BCADHN C=CC(=O)N1CCCN(CCOC)CC1 ZINC000037834714 712772351 /nfs/dbraw/zinc/77/23/51/712772351.db2.gz IBUKLNBHRMAZQA-UHFFFAOYSA-N 0 3 212.293 0.353 20 0 BCADHN c1n[nH]cc1CN1CCC[C@H](C2OCCO2)C1 ZINC000719092019 712797046 /nfs/dbraw/zinc/79/70/46/712797046.db2.gz RPQKMTKANCSSEZ-NSHDSACASA-N 0 3 237.303 0.995 20 0 BCADHN CC[S@@](=O)CCNCc1cnc2n1CCC2 ZINC000719114612 712798166 /nfs/dbraw/zinc/79/81/66/712798166.db2.gz TZYMPGNFAMRFBE-MRXNPFEDSA-N 0 3 241.360 0.688 20 0 BCADHN CCCCNC(=O)c1c(CN)cnn1C ZINC000719245157 712801599 /nfs/dbraw/zinc/80/15/99/712801599.db2.gz RFUVUAUHEYWRRF-UHFFFAOYSA-N 0 3 210.281 0.409 20 0 BCADHN C[C@H]1[C@@H](Nc2nc(N)nc(C3CC3)n2)CCN1C ZINC000719361273 712805292 /nfs/dbraw/zinc/80/52/92/712805292.db2.gz ZMMWGIGZXNFVKV-CBAPKCEASA-N 0 3 248.334 0.836 20 0 BCADHN C[C@@H]1[C@H](NC(=O)NCC2CC2)CCN1C ZINC000719375171 712806862 /nfs/dbraw/zinc/80/68/62/712806862.db2.gz XIKFPHLLRSUGQU-PSASIEDQSA-N 0 3 211.309 0.788 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)NCC2CC2)CCN1C ZINC000719375172 712807027 /nfs/dbraw/zinc/80/70/27/712807027.db2.gz XIKFPHLLRSUGQU-SCZZXKLOSA-N 0 3 211.309 0.788 20 0 BCADHN CO[C@H](C)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000719433297 712807377 /nfs/dbraw/zinc/80/73/77/712807377.db2.gz CTTNSWBVZKXEEW-DJLDLDEBSA-N 0 3 200.282 0.230 20 0 BCADHN CCOCC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000719435888 712808068 /nfs/dbraw/zinc/80/80/68/712808068.db2.gz NFVIVZRKGMDWRQ-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2ncccc2N)CCN1C ZINC000719462662 712808348 /nfs/dbraw/zinc/80/83/48/712808348.db2.gz FDCBIPYWLNZHAK-WCBMZHEXSA-N 0 3 234.303 0.486 20 0 BCADHN CNc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cn1 ZINC000719497429 712808660 /nfs/dbraw/zinc/80/86/60/712808660.db2.gz SSAQQEZGLXKXQU-KOLCDFICSA-N 0 3 248.330 0.946 20 0 BCADHN C[C@@H]1[C@@H](NCc2csnn2)CCN1C ZINC000719584971 712813393 /nfs/dbraw/zinc/81/33/93/712813393.db2.gz RVJZGEBIUIECQH-APPZFPTMSA-N 0 3 212.322 0.720 20 0 BCADHN CCCn1cc(CN[C@@H]2CCN(C)[C@@H]2C)nn1 ZINC000719604297 712815820 /nfs/dbraw/zinc/81/58/20/712815820.db2.gz ULYVDFFDQNTFBQ-ZYHUDNBSSA-N 0 3 237.351 0.870 20 0 BCADHN Cc1nnc(N[C@H]2CCN(C)[C@@H]2C)nc1C ZINC000719603740 712816104 /nfs/dbraw/zinc/81/61/04/712816104.db2.gz SLBZJMMKSOHQDQ-ZJUUUORDSA-N 0 3 221.308 0.993 20 0 BCADHN OCCCN(CCO)CCc1ccns1 ZINC000719864545 712824535 /nfs/dbraw/zinc/82/45/35/712824535.db2.gz NJMWBWCYLRECAX-UHFFFAOYSA-N 0 3 230.333 0.362 20 0 BCADHN OC[C@@H]1CN(CCc2ccns2)CC[C@H]1O ZINC000719874378 712824565 /nfs/dbraw/zinc/82/45/65/712824565.db2.gz PXMMKPMOXDKFTJ-GXSJLCMTSA-N 0 3 242.344 0.361 20 0 BCADHN C[C@@H]1CCN(CCOCCO)CCO1 ZINC000720417179 712841156 /nfs/dbraw/zinc/84/11/56/712841156.db2.gz FHHDYEQSINWKQN-SNVBAGLBSA-N 0 3 203.282 0.106 20 0 BCADHN CN(CCO)CCN(C)C(=O)C1(C)CCC1 ZINC000720691305 712862012 /nfs/dbraw/zinc/86/20/12/712862012.db2.gz DLQJAUYFUDEPHB-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN Cc1ncc(CN[C@@H](CO)C2CC2)cn1 ZINC000380300519 712864329 /nfs/dbraw/zinc/86/43/29/712864329.db2.gz DNGGGRKCYZWNPP-NSHDSACASA-N 0 3 207.277 0.646 20 0 BCADHN COC(OC)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720810519 712866844 /nfs/dbraw/zinc/86/68/44/712866844.db2.gz LNDLVINCZRFIQI-NXEZZACHSA-N 0 3 242.319 0.300 20 0 BCADHN Cc1nc(N)nc(N2CC[C@H]3[C@@H]2CCCN3C)n1 ZINC000720816084 712868449 /nfs/dbraw/zinc/86/84/49/712868449.db2.gz MVFZAWYGGNYVGL-UWVGGRQHSA-N 0 3 248.334 0.435 20 0 BCADHN COCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720878303 712872504 /nfs/dbraw/zinc/87/25/04/712872504.db2.gz QBBDACHECBHAIO-ZJUUUORDSA-N 0 3 212.293 0.328 20 0 BCADHN CN(C)CC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000721054066 712888878 /nfs/dbraw/zinc/88/88/78/712888878.db2.gz JIPZMOPVNYZEKE-ZDUSSCGKSA-N 0 3 247.342 0.379 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1c1ncnc2c1CNC2 ZINC001164635920 719179127 /nfs/dbraw/zinc/17/91/27/719179127.db2.gz MAVOULLBOQGUED-VHSXEESVSA-N 0 3 247.346 0.609 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1c1cccc(C(N)=O)n1 ZINC001164633117 719216568 /nfs/dbraw/zinc/21/65/68/719216568.db2.gz DDESXUOZQNAJHC-VHSXEESVSA-N 0 3 248.330 0.709 20 0 BCADHN C[C@H]1CN(c2cc(N)ncn2)[C@@H](C)CN1C ZINC001164634879 719231128 /nfs/dbraw/zinc/23/11/28/719231128.db2.gz HZOGHWZUNGHXHX-IUCAKERBSA-N 0 3 221.308 0.588 20 0 BCADHN CCOC[C@@H]1CCN(CCN2CCNC2=O)C1 ZINC000336728859 398136018 /nfs/dbraw/zinc/13/60/18/398136018.db2.gz XANQKTCZFDFAIW-LLVKDONJSA-N 0 3 241.335 0.370 20 0 BCADHN CCC(CC)(CC(=O)OC)NCC(N)=O ZINC000308971416 168313293 /nfs/dbraw/zinc/31/32/93/168313293.db2.gz ZRVKKCJDVJRLRI-UHFFFAOYSA-N 0 3 216.281 0.183 20 0 BCADHN Cc1ccc(CNCCN2CCOCC2)cn1 ZINC000062053207 349436486 /nfs/dbraw/zinc/43/64/86/349436486.db2.gz MXRAOWFCNXTBSW-UHFFFAOYSA-N 0 3 235.331 0.812 20 0 BCADHN Cc1ccc(CNC(=O)CNC2CC2)cn1 ZINC000062055516 349436547 /nfs/dbraw/zinc/43/65/47/349436547.db2.gz JZFXPEUYJGRGCU-UHFFFAOYSA-N 0 3 219.288 0.758 20 0 BCADHN COCCN1CC[C@@H](Nc2c[nH]cn2)C1 ZINC000309052529 349437217 /nfs/dbraw/zinc/43/72/17/349437217.db2.gz RSJPZCIQVCFUHC-SECBINFHSA-N 0 3 210.281 0.542 20 0 BCADHN CCOC(=O)CNC(=O)CN(C)CC(C)(C)C ZINC000602071272 349438957 /nfs/dbraw/zinc/43/89/57/349438957.db2.gz JOEXXGGQYCULHR-UHFFFAOYSA-N 0 3 244.335 0.644 20 0 BCADHN Cn1nnnc1N1CC[C@@]2(C1)CCCN(C)C2 ZINC000549575586 398139659 /nfs/dbraw/zinc/13/96/59/398139659.db2.gz BSIZLULQRQADQR-NSHDSACASA-N 0 3 236.323 0.132 20 0 BCADHN COCCN1CCN(C[C@@H](C)CO)C(C)(C)C1 ZINC000649850339 398139719 /nfs/dbraw/zinc/13/97/19/398139719.db2.gz JKDISCXQPHHXGH-GFCCVEGCSA-N 0 3 244.379 0.657 20 0 BCADHN C[C@@H]1C[C@H](NC2COCCOC2)[C@@H](C)O1 ZINC000385207005 398140368 /nfs/dbraw/zinc/14/03/68/398140368.db2.gz RIRZTVZBDWJGOU-KKZNHRDASA-N 0 3 215.293 0.557 20 0 BCADHN CN(CCN1CCCC1)CC(=O)NC(C)(C)C ZINC000161516323 538916379 /nfs/dbraw/zinc/91/63/79/538916379.db2.gz NTGOLCDUYDIGNH-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN Cc1cc(CC(=O)N(C)CCN(C)C)[nH]n1 ZINC000268023471 177953278 /nfs/dbraw/zinc/95/32/78/177953278.db2.gz HJPYFAHYIVGBHS-UHFFFAOYSA-N 0 3 224.308 0.281 20 0 BCADHN CCCCN(C)CCNC(=O)Cn1cncn1 ZINC000602176752 349461260 /nfs/dbraw/zinc/46/12/60/349461260.db2.gz ZOMCYGOXNQQTAW-UHFFFAOYSA-N 0 3 239.323 0.126 20 0 BCADHN CCO[C@@H]1CCCN(C[C@@](C)(O)C(C)=O)C1 ZINC000649318288 398142686 /nfs/dbraw/zinc/14/26/86/398142686.db2.gz PEEMYMVISWVZIE-VXGBXAGGSA-N 0 3 229.320 0.827 20 0 BCADHN CN1CCC[C@H](N2CC[C@H](CCCO)C2)C1=O ZINC000650353284 398142687 /nfs/dbraw/zinc/14/26/87/398142687.db2.gz CEPHCHUBSWGACA-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN CCO[C@@H]1CCCN(C[C@](C)(O)C(C)=O)C1 ZINC000649318285 398142739 /nfs/dbraw/zinc/14/27/39/398142739.db2.gz PEEMYMVISWVZIE-NEPJUHHUSA-N 0 3 229.320 0.827 20 0 BCADHN C[C@H](CCO)NC(=O)NC1CCN(C)CC1 ZINC000408209331 136212434 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/nfs/dbraw/zinc/17/85/47/398178547.db2.gz QFWGCZPOGGQOQR-LLVKDONJSA-N 0 3 243.351 0.542 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N[C@@H]1CC12CC2 ZINC000424220330 398178553 /nfs/dbraw/zinc/17/85/53/398178553.db2.gz HTVBKBIJTJUINU-VHSXEESVSA-N 0 3 224.304 0.424 20 0 BCADHN COc1ccsc1CNC[C@@H]1CNCCO1 ZINC000415094898 398160918 /nfs/dbraw/zinc/16/09/18/398160918.db2.gz KUVRLCJSCNQITD-VIFPVBQESA-N 0 3 242.344 0.835 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCC[C@H]1CCCO1 ZINC000162223143 538921500 /nfs/dbraw/zinc/92/15/00/538921500.db2.gz MCTVRLNZIRUDRZ-WDEREUQCSA-N 0 3 249.376 0.968 20 0 BCADHN CO[C@@H]1CN([C@H]2CCCN(C)C2=O)CC[C@@H]1C ZINC000527123858 398167051 /nfs/dbraw/zinc/16/70/51/398167051.db2.gz COARWUTVJPFJOO-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CC[C@]2(C1)CCCOC2 ZINC000341983882 398185921 /nfs/dbraw/zinc/18/59/21/398185921.db2.gz DBAOGZQBVYOSQC-AAEUAGOBSA-N 0 3 240.347 0.966 20 0 BCADHN CCC(CC)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358043148 168338426 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/nfs/dbraw/zinc/22/10/85/136221085.db2.gz VMLKUIJOZKHIKO-VIFPVBQESA-N 0 3 227.308 0.693 20 0 BCADHN Cc1ccc(F)cc1CNC[C@@](C)(O)CO ZINC000163796004 538930666 /nfs/dbraw/zinc/93/06/66/538930666.db2.gz MVHMCMQIGRSELI-GFCCVEGCSA-N 0 3 227.279 0.967 20 0 BCADHN COc1ccncc1CN[C@H](C)[C@H](C)O ZINC000386927943 398223157 /nfs/dbraw/zinc/22/31/57/398223157.db2.gz QSVGMQNCJVRKQF-BDAKNGLRSA-N 0 3 210.277 0.949 20 0 BCADHN COc1ccncc1CN[C@@H](C)[C@H](C)O ZINC000386927963 398223368 /nfs/dbraw/zinc/22/33/68/398223368.db2.gz QSVGMQNCJVRKQF-IUCAKERBSA-N 0 3 210.277 0.949 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@H](OC)C1 ZINC000129360060 343988392 /nfs/dbraw/zinc/98/83/92/343988392.db2.gz KMNAHHZGJJHKLO-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN CN(C[C@H]1CCCCO1)C(=O)COC1CNC1 ZINC000430297748 398226317 /nfs/dbraw/zinc/22/63/17/398226317.db2.gz BOKDRONPLJRMBF-SNVBAGLBSA-N 0 3 242.319 0.002 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N2CCNC(C)(C)C2)CO1 ZINC000161955173 349521010 /nfs/dbraw/zinc/52/10/10/349521010.db2.gz IXLOGSKJMQVZND-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN C=C/C(C)=C\CC(=O)NCCN1CC[C@H](O)C1 ZINC000629915451 361770554 /nfs/dbraw/zinc/77/05/54/361770554.db2.gz IYRBGBTTZPAHCY-MCWZUMHDSA-N 0 3 238.331 0.692 20 0 BCADHN CC[C@H](C)CC(=O)NCCN1CC[C@H](O)C1 ZINC000629916871 361774074 /nfs/dbraw/zinc/77/40/74/361774074.db2.gz YQDKMTZABJDMSB-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN O=C(N[C@@H]1CCN2CCCC[C@@H]12)C1CC(=O)C1 ZINC000334255165 136224753 /nfs/dbraw/zinc/22/47/53/136224753.db2.gz NRBKHAQMQRAPIA-NEPJUHHUSA-N 0 3 236.315 0.709 20 0 BCADHN Cc1cc(NC(=O)N[C@H](C)CN(C)C)n(C)n1 ZINC000342921805 136224987 /nfs/dbraw/zinc/22/49/87/136224987.db2.gz VCQASOQTGURVMP-SECBINFHSA-N 0 3 239.323 0.800 20 0 BCADHN Cc1nn(C)cc1CN[C@@H](C)C[C@@H](C)O ZINC000164514334 361767472 /nfs/dbraw/zinc/76/74/72/361767472.db2.gz JMDFRFXOEVTSPS-DTWKUNHWSA-N 0 3 211.309 0.978 20 0 BCADHN CN1CCC[C@H]1CNC(=O)CCc1cn[nH]c1 ZINC000629952549 361796998 /nfs/dbraw/zinc/79/69/98/361796998.db2.gz OGGJKWGUYDWWST-NSHDSACASA-N 0 3 236.319 0.553 20 0 BCADHN COC1CC(C(=O)NCCNc2ccncc2)C1 ZINC000629950028 361797594 /nfs/dbraw/zinc/79/75/94/361797594.db2.gz FBKKWAJQERRPKE-UHFFFAOYSA-N 0 3 249.314 0.457 20 0 BCADHN COCCCN(C)C(=O)CN(C)C1CCC1 ZINC000629953281 361798922 /nfs/dbraw/zinc/79/89/22/361798922.db2.gz PSEXLHIRWCEHMZ-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CNC(=O)CCN(C)C(=O)CN(C)C1CCC1 ZINC000629955946 361799804 /nfs/dbraw/zinc/79/98/04/361799804.db2.gz BDEWHHOCUWEPRE-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CCc1ccc(CNC[C@H](O)CO)cn1 ZINC000336774251 398235017 /nfs/dbraw/zinc/23/50/17/398235017.db2.gz ZMUNZAPEAOKNIS-NSHDSACASA-N 0 3 210.277 0.087 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)on1 ZINC000083118424 349524359 /nfs/dbraw/zinc/52/43/59/349524359.db2.gz FWGYBJKPHOVRMF-RKDXNWHRSA-N 0 3 223.276 0.805 20 0 BCADHN CN(C)CCN(C)C(=O)CN(C)C1CCC1 ZINC000629968277 361817012 /nfs/dbraw/zinc/81/70/12/361817012.db2.gz ZGBIWPHRIPBYMV-UHFFFAOYSA-N 0 3 227.352 0.491 20 0 BCADHN NC(=O)[C@@]1(NCC23CCC(CC2)C3)CCOC1 ZINC000576527272 365619037 /nfs/dbraw/zinc/61/90/37/365619037.db2.gz VEQCCPOBRUKHOZ-KGPNIALWSA-N 0 3 238.331 0.801 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCNC[C@@H]1C(F)F ZINC000576466259 365603795 /nfs/dbraw/zinc/60/37/95/365603795.db2.gz JPBDVIOOZMQCRH-IONNQARKSA-N 0 3 247.289 0.192 20 0 BCADHN C[C@H](O)CCN(C)C(=O)CN(C)C1CCC1 ZINC000629970301 361818779 /nfs/dbraw/zinc/81/87/79/361818779.db2.gz JVUSCCTYCJVQSY-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC000629976652 361820805 /nfs/dbraw/zinc/82/08/05/361820805.db2.gz RCPGXNPDNJJITQ-MWLCHTKSSA-N 0 3 226.320 0.310 20 0 BCADHN CC[C@@](C)(CN1CCN(CCO)[C@H](C)C1)OC ZINC000639095882 398243161 /nfs/dbraw/zinc/24/31/61/398243161.db2.gz VFHJSHPUUMRJBP-OLZOCXBDSA-N 0 3 244.379 0.800 20 0 BCADHN COCCOC[C@@H](O)CNC1CC(F)(F)C1 ZINC000576511309 365613149 /nfs/dbraw/zinc/61/31/49/365613149.db2.gz IASQVLYYRGPZAE-VIFPVBQESA-N 0 3 239.262 0.398 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220339424 259309312 /nfs/dbraw/zinc/30/93/12/259309312.db2.gz NCNLMOFWYVHODY-FOGDFJRCSA-N 0 3 226.320 0.487 20 0 BCADHN CNC(=O)CCCN1CCN(C)[C@H](C)[C@@H]1C ZINC000576594395 365635055 /nfs/dbraw/zinc/63/50/55/365635055.db2.gz XHSDADSATODIOK-MNOVXSKESA-N 0 3 227.352 0.537 20 0 BCADHN Cc1cc2ncc([C@@H](C)NCCO)c(C)n2n1 ZINC000020596855 178303160 /nfs/dbraw/zinc/30/31/60/178303160.db2.gz CXMKAKLMWHTGNA-SECBINFHSA-N 0 3 234.303 0.989 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCCSCC1 ZINC000390767140 398245609 /nfs/dbraw/zinc/24/56/09/398245609.db2.gz RVBDKFMEOATRFL-VIFPVBQESA-N 0 3 228.361 0.950 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](C)Cn1cccn1 ZINC000129391595 343994064 /nfs/dbraw/zinc/99/40/64/343994064.db2.gz DNUHMDDWIGXAFD-VHSXEESVSA-N 0 3 224.308 0.373 20 0 BCADHN CO[C@H](CN[C@@H](C)C(=O)N(C)C)[C@H]1CCOC1 ZINC000639101393 398246273 /nfs/dbraw/zinc/24/62/73/398246273.db2.gz ZXSGTFXDNQEUKG-GARJFASQSA-N 0 3 244.335 0.104 20 0 BCADHN Cn1cc(NC(=O)[C@H]2NCC2(C)C)cn1 ZINC000390747707 398247178 /nfs/dbraw/zinc/24/71/78/398247178.db2.gz BEUVKLNWCZNKNN-MRVPVSSYSA-N 0 3 208.265 0.357 20 0 BCADHN CN[C@@H](C)C(=O)N(C)CCCn1ccnc1C ZINC000580903451 398250633 /nfs/dbraw/zinc/25/06/33/398250633.db2.gz SXJMFGHAUDWPGP-JTQLQIEISA-N 0 3 238.335 0.648 20 0 BCADHN COC(=O)CCN1CCC(CCO)CC1 ZINC000400987819 259310375 /nfs/dbraw/zinc/31/03/75/259310375.db2.gz XCSFHNLMTMGTGB-UHFFFAOYSA-N 0 3 215.293 0.644 20 0 BCADHN C[C@H](CC(N)=O)NCc1cccc2c1OCO2 ZINC000135719675 398250804 /nfs/dbraw/zinc/25/08/04/398250804.db2.gz MZOKMEXSQWHXPR-MRVPVSSYSA-N 0 3 236.271 0.769 20 0 BCADHN CCN1CCN(C(=O)Cc2ccn[nH]2)[C@@H](C)C1 ZINC000288376465 538945302 /nfs/dbraw/zinc/94/53/02/538945302.db2.gz KDBVHLKMSRHTDO-JTQLQIEISA-N 0 3 236.319 0.505 20 0 BCADHN CO[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1O ZINC000400518304 398251258 /nfs/dbraw/zinc/25/12/58/398251258.db2.gz CTVLRNIPAQFLEE-QJPTWQEYSA-N 0 3 229.320 0.495 20 0 BCADHN Cc1cc[nH]c1C(=O)NC[C@](C)(O)CN(C)C ZINC000280506324 178312703 /nfs/dbraw/zinc/31/27/03/178312703.db2.gz AFRQPHWGTBJKIE-LBPRGKRZSA-N 0 3 239.319 0.366 20 0 BCADHN CC[C@H](O)CNCc1ccc(OC)nc1OC ZINC000576631311 365641865 /nfs/dbraw/zinc/64/18/65/365641865.db2.gz IRUJDRVKWPAUHG-JTQLQIEISA-N 0 3 240.303 0.959 20 0 BCADHN Cn1cccc(NC(=O)CNC2CC2)c1=O ZINC000576627435 365642662 /nfs/dbraw/zinc/64/26/62/365642662.db2.gz OAQWPJYBSUNUPL-UHFFFAOYSA-N 0 3 221.260 0.076 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@H]1CCCN(C)C1=O ZINC000442721743 398251736 /nfs/dbraw/zinc/25/17/36/398251736.db2.gz UJNMCYSMCROEQZ-ZJUUUORDSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@H]1CN(CCc2cn(C)nn2)C[C@@]1(C)CO ZINC000625562340 343995317 /nfs/dbraw/zinc/99/53/17/343995317.db2.gz ZDVHIGDPTIMSFZ-JQWIXIFHSA-N 0 3 238.335 0.308 20 0 BCADHN CC[C@H](C)[C@@H](CNCC(=O)NC1CC1)OC ZINC000381259551 398252845 /nfs/dbraw/zinc/25/28/45/398252845.db2.gz DLPXQXMBFCDOMR-GXSJLCMTSA-N 0 3 228.336 0.916 20 0 BCADHN CCNC(=O)[C@@H](C)NCC1(COC)CCC1 ZINC000381289082 398253148 /nfs/dbraw/zinc/25/31/48/398253148.db2.gz CNAWLBMOSZBLCX-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN COc1cccc(CNCC2(CO)CC2)n1 ZINC000168844080 538945601 /nfs/dbraw/zinc/94/56/01/538945601.db2.gz CPFNBZOKQNSEGL-UHFFFAOYSA-N 0 3 222.288 0.952 20 0 BCADHN CC[C@H](C)C[C@@H](NC(=O)CN)C(=O)OC ZINC000576704586 365656701 /nfs/dbraw/zinc/65/67/01/365656701.db2.gz BRAJYGUBVRDVNL-JGVFFNPUSA-N 0 3 216.281 0.039 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCn2c3ccccc3nc21 ZINC000576695570 365660293 /nfs/dbraw/zinc/66/02/93/365660293.db2.gz MYFUJODTNVWGAW-DTWKUNHWSA-N 0 3 242.282 0.730 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H]1C[C@@H](C)O[C@H]1C ZINC000384621088 398259497 /nfs/dbraw/zinc/25/94/97/398259497.db2.gz PYVKTVJYPLYTLL-XFWSIPNHSA-N 0 3 214.309 0.652 20 0 BCADHN C[C@H](NCc1cncn1C)C(C)(C)n1cncn1 ZINC000289733547 538946010 /nfs/dbraw/zinc/94/60/10/538946010.db2.gz KFBHULNPQHKALY-JTQLQIEISA-N 0 3 248.334 0.925 20 0 BCADHN CN(CC(=O)N1CC(F)(F)C1)C1CCC1 ZINC000629979333 361825381 /nfs/dbraw/zinc/82/53/81/361825381.db2.gz PSZKDWUKOIJTJY-UHFFFAOYSA-N 0 3 218.247 0.948 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1ccc(N)cn1 ZINC000576701808 365663018 /nfs/dbraw/zinc/66/30/18/365663018.db2.gz KVVHUKFMNOKFFO-VHSXEESVSA-N 0 3 248.330 0.415 20 0 BCADHN Cc1cc(C)c(CNC[C@H](C)O)c(=O)[nH]1 ZINC000576749784 365675909 /nfs/dbraw/zinc/67/59/09/365675909.db2.gz XCGSVPKXPGCRTI-VIFPVBQESA-N 0 3 210.277 0.874 20 0 BCADHN CO[C@H](CN)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000261529665 536557982 /nfs/dbraw/zinc/55/79/82/536557982.db2.gz BHPYNHQGMLHSPP-HRDYMLBCSA-N 0 3 200.282 0.360 20 0 BCADHN OC[C@H]1CCN(CCOC2CCC2)C[C@H]1O ZINC000561784359 323007070 /nfs/dbraw/zinc/00/70/70/323007070.db2.gz ZNEXEIVBJFQDPT-ZYHUDNBSSA-N 0 3 229.320 0.231 20 0 BCADHN C[C@@H](O)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000629978274 361827401 /nfs/dbraw/zinc/82/74/01/361827401.db2.gz GYTPKFABYDCNTD-MNOVXSKESA-N 0 3 240.347 0.700 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@](C)(CC)C(=O)OC ZINC000602449769 349550646 /nfs/dbraw/zinc/55/06/46/349550646.db2.gz RYXYTUBSBIXXRU-KWQFWETISA-N 0 3 230.308 0.442 20 0 BCADHN COC(C)(C)CNC(=O)[C@H]1NCC1(C)C ZINC000381549319 398263201 /nfs/dbraw/zinc/26/32/01/398263201.db2.gz LYQSSYPEPCZHMJ-MRVPVSSYSA-N 0 3 214.309 0.526 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@H](C)C(=O)OCC ZINC000602460181 349555597 /nfs/dbraw/zinc/55/55/97/349555597.db2.gz VJQBTFYBUYPMNM-DTWKUNHWSA-N 0 3 230.308 0.300 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@@H](C)C(=O)OCC ZINC000602460180 349555700 /nfs/dbraw/zinc/55/57/00/349555700.db2.gz VJQBTFYBUYPMNM-BDAKNGLRSA-N 0 3 230.308 0.300 20 0 BCADHN CCN[C@H](C)C(=O)NC(C)(C)C(=O)OC ZINC000602443527 349544511 /nfs/dbraw/zinc/54/45/11/349544511.db2.gz DTHOMXSAPIBURP-SSDOTTSWSA-N 0 3 216.281 0.052 20 0 BCADHN CN1CCC[C@H](N2CCN(C)C(C)(C)C2)C1=O ZINC000576765887 365681319 /nfs/dbraw/zinc/68/13/19/365681319.db2.gz MSMOOUDOSHAIMC-NSHDSACASA-N 0 3 239.363 0.633 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NC[C@@H]1CCCO1 ZINC000381599234 398265807 /nfs/dbraw/zinc/26/58/07/398265807.db2.gz MXKHGPSXEUVXEL-IUCAKERBSA-N 0 3 212.293 0.280 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NC[C@@H]1CCCO1 ZINC000381599233 398265815 /nfs/dbraw/zinc/26/58/15/398265815.db2.gz MXKHGPSXEUVXEL-DTWKUNHWSA-N 0 3 212.293 0.280 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NC[C@H]1CCCO1 ZINC000381599235 398265866 /nfs/dbraw/zinc/26/58/66/398265866.db2.gz MXKHGPSXEUVXEL-RKDXNWHRSA-N 0 3 212.293 0.280 20 0 BCADHN Cc1ccc(C(=O)N(C)CC[NH3+])c([O-])c1 ZINC000041055234 178378496 /nfs/dbraw/zinc/37/84/96/178378496.db2.gz RRLQJRAXYIUQBA-UHFFFAOYSA-N 0 3 208.261 0.731 20 0 BCADHN CC(C)[C@H](N)c1cn(Cc2ncc[nH]2)nn1 ZINC000381604132 398266198 /nfs/dbraw/zinc/26/61/98/398266198.db2.gz IAWWUQWUMSKTGM-JTQLQIEISA-N 0 3 220.280 0.705 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1cn(C2CC2)nn1 ZINC000625567122 343998294 /nfs/dbraw/zinc/99/82/94/343998294.db2.gz SZOAITUUZSSMNG-SNVBAGLBSA-N 0 3 249.318 0.437 20 0 BCADHN COC(=O)c1[nH]c(CNCCCO)cc1C ZINC000602503393 349567482 /nfs/dbraw/zinc/56/74/82/349567482.db2.gz IQOOBPCAZKDMBF-UHFFFAOYSA-N 0 3 226.276 0.582 20 0 BCADHN CCOCC[C@H](O)CNC(C)(C)C(=O)N(C)C ZINC000580273956 346822949 /nfs/dbraw/zinc/82/29/49/346822949.db2.gz ILBAISYDBAFZLB-JTQLQIEISA-N 0 3 246.351 0.230 20 0 BCADHN COC[C@H](C)CN1CCN(C[C@H](C)O)CC1 ZINC000188579829 346823154 /nfs/dbraw/zinc/82/31/54/346823154.db2.gz QIOZPLYDLFZSIW-NEPJUHHUSA-N 0 3 230.352 0.267 20 0 BCADHN CCOCC[C@@H](O)CNC(C)(C)C(=O)N(C)C ZINC000580273957 346823330 /nfs/dbraw/zinc/82/33/30/346823330.db2.gz ILBAISYDBAFZLB-SNVBAGLBSA-N 0 3 246.351 0.230 20 0 BCADHN CCC(CC)N(CCOC)CC(N)=O ZINC000043639189 168373843 /nfs/dbraw/zinc/37/38/43/168373843.db2.gz QRCYJQDYYBDXJY-UHFFFAOYSA-N 0 3 202.298 0.609 20 0 BCADHN CCOC(=O)c1ccc(CNC[C@@H](C)CO)[nH]1 ZINC000602520535 349574969 /nfs/dbraw/zinc/57/49/69/349574969.db2.gz HOPIOLDDNPIRHU-SECBINFHSA-N 0 3 240.303 0.909 20 0 BCADHN CCOC(=O)c1ccc(CNC[C@H](C)CO)[nH]1 ZINC000602520536 349575117 /nfs/dbraw/zinc/57/51/17/349575117.db2.gz HOPIOLDDNPIRHU-VIFPVBQESA-N 0 3 240.303 0.909 20 0 BCADHN COC(=O)c1cc(CNC[C@@H](C)CO)[nH]c1C ZINC000602521820 349575875 /nfs/dbraw/zinc/57/58/75/349575875.db2.gz RVUHHVVHOIPOGB-MRVPVSSYSA-N 0 3 240.303 0.828 20 0 BCADHN COC(=O)c1[nH]c(CNC[C@@H](C)CO)cc1C ZINC000602528641 349578593 /nfs/dbraw/zinc/57/85/93/349578593.db2.gz SGBZYYZLSYTWGY-MRVPVSSYSA-N 0 3 240.303 0.828 20 0 BCADHN CCN[C@H](C)C(=O)N(C)[C@@H](C)C(=O)OC ZINC000602504361 349581288 /nfs/dbraw/zinc/58/12/88/349581288.db2.gz PUAQCPFPKBOBNZ-SFYZADRCSA-N 0 3 216.281 0.004 20 0 BCADHN O=C1NCC[C@H]1N[C@@H]1CCC[C@H]1OC(F)F ZINC000378786546 346832444 /nfs/dbraw/zinc/83/24/44/346832444.db2.gz LOCGMMPTBCNPJT-BWZBUEFSSA-N 0 3 234.246 0.625 20 0 BCADHN Cc1nccc(C(=O)N2CCN3CC[C@H]2C3)n1 ZINC000615563219 398268168 /nfs/dbraw/zinc/26/81/68/398268168.db2.gz QQPZSUKMCFVLGE-JTQLQIEISA-N 0 3 232.287 0.315 20 0 BCADHN C[C@H](CNC(=O)NC1(C)COC1)N(C)C1CC1 ZINC000636732945 349601336 /nfs/dbraw/zinc/60/13/36/349601336.db2.gz YWVGTVQRNIJAAQ-SECBINFHSA-N 0 3 241.335 0.557 20 0 BCADHN CCNS(=O)(=O)NCCN1CCC(C)CC1 ZINC000171952645 346844350 /nfs/dbraw/zinc/84/43/50/346844350.db2.gz JOJQODSBSMXAPB-UHFFFAOYSA-N 0 3 249.380 0.162 20 0 BCADHN Cc1n[nH]cc1[C@H](C)N[C@H]1CCC(=O)N(C)C1 ZINC000180585580 538958047 /nfs/dbraw/zinc/95/80/47/538958047.db2.gz YYBFXWXGLKWRAT-WPRPVWTQSA-N 0 3 236.319 0.990 20 0 BCADHN COC(=O)c1cc(CNCC(C)(C)O)[nH]c1C ZINC000602550558 349591745 /nfs/dbraw/zinc/59/17/45/349591745.db2.gz KSFOQWJEIMDLON-UHFFFAOYSA-N 0 3 240.303 0.970 20 0 BCADHN CCC(CC)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126051319 168377502 /nfs/dbraw/zinc/37/75/02/168377502.db2.gz QZRCACFUGRKINM-NSHDSACASA-N 0 3 243.351 0.391 20 0 BCADHN CSC[C@@H](C)NCc1cnc(N)nc1N ZINC000602553817 349595617 /nfs/dbraw/zinc/59/56/17/349595617.db2.gz VOAJGKRPHNOYOD-ZCFIWIBFSA-N 0 3 227.337 0.143 20 0 BCADHN C[C@@H](O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000344738516 398271016 /nfs/dbraw/zinc/27/10/16/398271016.db2.gz NLTGRZMDMZZBQY-SNVBAGLBSA-N 0 3 236.315 0.745 20 0 BCADHN O=C(N[C@H]1C=CCCC1)[C@H]1C[C@H](F)CN1 ZINC000188947346 346852287 /nfs/dbraw/zinc/85/22/87/346852287.db2.gz NUVIUBOJDNOREW-LPEHRKFASA-N 0 3 212.268 0.911 20 0 BCADHN C[C@@H](CNC(=O)N1CC[C@@H](F)C1)N(C)C ZINC000334635841 398271343 /nfs/dbraw/zinc/27/13/43/398271343.db2.gz ROMPQXBBZRSZOX-DTWKUNHWSA-N 0 3 217.288 0.690 20 0 BCADHN CCNC(=O)CCC(=O)N[C@H]1CCCN(C)C1 ZINC000600142371 342689502 /nfs/dbraw/zinc/68/95/02/342689502.db2.gz OWGAADGBTCGLLW-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCCC[C@@H]1O ZINC000162261458 349606928 /nfs/dbraw/zinc/60/69/28/349606928.db2.gz IRSZOXZELAQXHY-DCAQKATOSA-N 0 3 249.376 0.703 20 0 BCADHN O=C1CCCN1CCCN1CCC[C@H](O)C1 ZINC000064030595 349609474 /nfs/dbraw/zinc/60/94/74/349609474.db2.gz KRCASVVMEWVJMC-NSHDSACASA-N 0 3 226.320 0.456 20 0 BCADHN CCOC(=O)c1cccc(CNC[C@@H](C)O)n1 ZINC000600141294 342689576 /nfs/dbraw/zinc/68/95/76/342689576.db2.gz DCBSTXNLKAJBLZ-SECBINFHSA-N 0 3 238.287 0.729 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)[C@@H](N)CCSC)C1 ZINC000602582947 349610304 /nfs/dbraw/zinc/61/03/04/349610304.db2.gz SKIGWJKYXRGFCO-AEJSXWLSSA-N 0 3 246.376 0.608 20 0 BCADHN CC[C@H](CSC)NCc1cnc(N)nc1N ZINC000602583870 349610866 /nfs/dbraw/zinc/61/08/66/349610866.db2.gz USVWNJLRVUCUPH-MRVPVSSYSA-N 0 3 241.364 0.533 20 0 BCADHN CN(C)C1(CNC(=O)C2(N(C)C)CC2)CC1 ZINC000616343481 342718259 /nfs/dbraw/zinc/71/82/59/342718259.db2.gz KKUVAEKBBQZLAH-UHFFFAOYSA-N 0 3 225.336 0.291 20 0 BCADHN CCn1cnc(C(=O)NCC2(N(C)C)CC2)c1 ZINC000616341913 342718262 /nfs/dbraw/zinc/71/82/62/342718262.db2.gz TWIOTWSVOXEYJE-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@@H](O)C3CCC3)[C@@H]2C1 ZINC000650511809 398277864 /nfs/dbraw/zinc/27/78/64/398277864.db2.gz RFVHMXITKYHEHB-TUAOUCFPSA-N 0 3 238.331 0.310 20 0 BCADHN COC[C@@H]1CCN1C[C@@]1(OC)CCOC1 ZINC000639207844 398278108 /nfs/dbraw/zinc/27/81/08/398278108.db2.gz ULLFUAWIGVBJSW-QWRGUYRKSA-N 0 3 215.293 0.513 20 0 BCADHN CC(C)NCC(=O)NCc1ccncc1 ZINC000037477100 538963014 /nfs/dbraw/zinc/96/30/14/538963014.db2.gz ZCDSDANBXSECMC-UHFFFAOYSA-N 0 3 207.277 0.696 20 0 BCADHN CS[C@@H]1CC[C@@H]1N(CCO)CCO ZINC000600179667 342696800 /nfs/dbraw/zinc/69/68/00/342696800.db2.gz UXPCLSWIQIDELR-DTWKUNHWSA-N 0 3 205.323 0.167 20 0 BCADHN CCOC(=O)C(CC)(CC)CNC(=O)CNC ZINC000602586640 349612912 /nfs/dbraw/zinc/61/29/12/349612912.db2.gz CYGHWTJGIYMQEG-UHFFFAOYSA-N 0 3 244.335 0.692 20 0 BCADHN CCC1(NC(=O)NCCNCCOC)CCC1 ZINC000418496983 192042637 /nfs/dbraw/zinc/04/26/37/192042637.db2.gz JDFOXLFXJSZAKZ-UHFFFAOYSA-N 0 3 243.351 0.854 20 0 BCADHN CS[C@H](CO)[C@@H](C)NCc1cnnn1C ZINC000165503159 361841961 /nfs/dbraw/zinc/84/19/61/361841961.db2.gz ULFSLXRXGNWPHC-VXNVDRBHSA-N 0 3 230.337 0.017 20 0 BCADHN COCCNCCNC(=O)N1CC[C@H](C)[C@@H]1C ZINC000418499327 192042466 /nfs/dbraw/zinc/04/24/66/192042466.db2.gz NRRLEQHPZBLFSP-QWRGUYRKSA-N 0 3 243.351 0.662 20 0 BCADHN Cc1cccc(CCN(CCO)C[C@H](C)O)n1 ZINC000399740093 342742341 /nfs/dbraw/zinc/74/23/41/342742341.db2.gz XEEJOAUGXMVNHM-LBPRGKRZSA-N 0 3 238.331 0.608 20 0 BCADHN CCc1[nH]n(C)c2nnc(NC(=O)C3(N)CC3)c1-2 ZINC000648155355 398279161 /nfs/dbraw/zinc/27/91/61/398279161.db2.gz OHNQHLMPOUOVKR-UHFFFAOYSA-N 0 3 248.290 0.289 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)Nc2cn[nH]c2)C1 ZINC000167400671 361864481 /nfs/dbraw/zinc/86/44/81/361864481.db2.gz DYUFGTUIWUZNKR-IONNQARKSA-N 0 3 208.265 0.736 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)Nc2cn[nH]c2)C1 ZINC000167400561 361864953 /nfs/dbraw/zinc/86/49/53/361864953.db2.gz DYUFGTUIWUZNKR-VXNVDRBHSA-N 0 3 208.265 0.736 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCNC(=O)CC1 ZINC000616357735 342720554 /nfs/dbraw/zinc/72/05/54/342720554.db2.gz DZBIYRKTBLMKKF-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCNC(=O)CC1 ZINC000616360424 342720667 /nfs/dbraw/zinc/72/06/67/342720667.db2.gz QVRGJLOYMDWMEH-JTQLQIEISA-N 0 3 241.335 0.112 20 0 BCADHN CSCC[C@@H](O)C(=O)NC[C@H]1CCCN1C ZINC000600271902 342728972 /nfs/dbraw/zinc/72/89/72/342728972.db2.gz BICRMJNVVLBPTM-NXEZZACHSA-N 0 3 246.376 0.311 20 0 BCADHN CN(CCNc1ccc(C(N)=O)cn1)C1CC1 ZINC000083420437 398281691 /nfs/dbraw/zinc/28/16/91/398281691.db2.gz UMZLAWLQVIFVHX-UHFFFAOYSA-N 0 3 234.303 0.687 20 0 BCADHN COC[C@H](O)CN(C)C[C@@H]1CCCCO1 ZINC000126285444 398280807 /nfs/dbraw/zinc/28/08/07/398280807.db2.gz OJHGJCOTRADESB-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC[C@H](O)COC(C)C ZINC000231852644 342740204 /nfs/dbraw/zinc/74/02/04/342740204.db2.gz ZQDSUXUCQPMYFF-MNOVXSKESA-N 0 3 246.351 0.229 20 0 BCADHN CN(CC(=O)N1CC(C)(O)C1)C1CCC1 ZINC000629991202 361876288 /nfs/dbraw/zinc/87/62/88/361876288.db2.gz QXXGLEQMRBBASW-UHFFFAOYSA-N 0 3 212.293 0.064 20 0 BCADHN CC[C@@H](CO)N(C)C(=O)CN(C)C1CCC1 ZINC000629995977 361879834 /nfs/dbraw/zinc/87/98/34/361879834.db2.gz NXPINIUTGFDGOZ-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cocn2)CCN1C ZINC000607688250 342771962 /nfs/dbraw/zinc/77/19/62/342771962.db2.gz WPLUTDFTHQIDII-RKDXNWHRSA-N 0 3 223.276 0.887 20 0 BCADHN Cn1nncc1CN[C@@H](CO)CC1CCC1 ZINC000309661363 342776529 /nfs/dbraw/zinc/77/65/29/342776529.db2.gz YAZDSHWHPISCCU-SNVBAGLBSA-N 0 3 224.308 0.456 20 0 BCADHN COC[C@@H]1CCN1C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000630044647 361910516 /nfs/dbraw/zinc/91/05/16/361910516.db2.gz DJNUYDKGZWXHQV-YNEHKIRRSA-N 0 3 243.347 0.619 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C[C@H](O)C[C@](C)(O)C1CC1 ZINC000630043883 361910763 /nfs/dbraw/zinc/91/07/63/361910763.db2.gz VEFYRKWOXSJBOF-MGAJPHDKSA-N 0 3 243.347 0.354 20 0 BCADHN CCCN(C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000367059643 136238492 /nfs/dbraw/zinc/23/84/92/136238492.db2.gz ISTCOUFYMPAURI-LLVKDONJSA-N 0 3 225.336 0.245 20 0 BCADHN COCCNCCNC(=O)N1C[C@@H](C)C[C@H]1C ZINC000418506476 192045085 /nfs/dbraw/zinc/04/50/85/192045085.db2.gz IMTOASIGWOVMRY-WDEREUQCSA-N 0 3 243.351 0.662 20 0 BCADHN c1cnn(CCCNCc2cn[nH]c2)c1 ZINC000394415322 342784646 /nfs/dbraw/zinc/78/46/46/342784646.db2.gz MTAVFPYVUNFDJA-UHFFFAOYSA-N 0 3 205.265 0.786 20 0 BCADHN COC(=O)c1cc(CNCC[C@@H](C)O)[nH]c1C ZINC000602568384 349619390 /nfs/dbraw/zinc/61/93/90/349619390.db2.gz MMEXZDYRGQIRMM-MRVPVSSYSA-N 0 3 240.303 0.970 20 0 BCADHN COC(=O)[C@@H]1CCN(C(=O)CN)[C@@H]2CCC[C@H]21 ZINC000602567929 349619603 /nfs/dbraw/zinc/61/96/03/349619603.db2.gz ORVDXFHEHBYFFF-IVZWLZJFSA-N 0 3 240.303 0.135 20 0 BCADHN CN(C)C(=O)CNC[C@@H](O)CC1CCCC1 ZINC000232128535 342788148 /nfs/dbraw/zinc/78/81/48/342788148.db2.gz PZLIUVYPXURPBE-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CCCCN(C)C(=O)NCCNCCOC ZINC000418507383 192044480 /nfs/dbraw/zinc/04/44/80/192044480.db2.gz KUEPAVQFPLTXPL-UHFFFAOYSA-N 0 3 231.340 0.664 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)CN(C)C1CCC1 ZINC000630015789 361902960 /nfs/dbraw/zinc/90/29/60/361902960.db2.gz HLWAKCZWFZGCRC-UHFFFAOYSA-N 0 3 236.319 0.852 20 0 BCADHN CN(Cc1cnc[nH]1)C(=O)CN(C)C1CCC1 ZINC000630015789 361902964 /nfs/dbraw/zinc/90/29/64/361902964.db2.gz HLWAKCZWFZGCRC-UHFFFAOYSA-N 0 3 236.319 0.852 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C2CC2)[nH]n1 ZINC000066923914 361903860 /nfs/dbraw/zinc/90/38/60/361903860.db2.gz NCNGYBKZAKODOE-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN CN(C)S(=O)(=O)NC[C@@H](N)c1ccccc1 ZINC000036297723 342796138 /nfs/dbraw/zinc/79/61/38/342796138.db2.gz DYHOMXBCYHFARO-SNVBAGLBSA-N 0 3 243.332 0.082 20 0 BCADHN CO[C@H]1CCN(C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000630036054 361907348 /nfs/dbraw/zinc/90/73/48/361907348.db2.gz DERBUNYSIXPHKP-AVGNSLFASA-N 0 3 243.347 0.619 20 0 BCADHN C[C@@](O)(C[C@@H](O)CN1CCC(O)CC1)C1CC1 ZINC000630036496 361907803 /nfs/dbraw/zinc/90/78/03/361907803.db2.gz NOBZSRYPAXCNCY-CHWSQXEVSA-N 0 3 243.347 0.355 20 0 BCADHN C[C@](O)(C[C@H](O)CN1CCC[C@H](O)C1)C1CC1 ZINC000630034259 361908824 /nfs/dbraw/zinc/90/88/24/361908824.db2.gz RJGAIFOPZVQPRD-AVGNSLFASA-N 0 3 243.347 0.355 20 0 BCADHN C[C@](O)(C[C@@H](O)CN1CC[C@](C)(O)C1)C1CC1 ZINC000630040803 361909006 /nfs/dbraw/zinc/90/90/06/361909006.db2.gz JNFCHWGKKUWWIX-AGIUHOORSA-N 0 3 243.347 0.355 20 0 BCADHN C[C@](O)(C[C@@H](O)CN1CCC[C@@H](O)C1)C1CC1 ZINC000630034260 361909147 /nfs/dbraw/zinc/90/91/47/361909147.db2.gz RJGAIFOPZVQPRD-UPJWGTAASA-N 0 3 243.347 0.355 20 0 BCADHN C[C@](O)(C[C@@H](O)CN1CC[C@@H](CO)C1)C1CC1 ZINC000630037214 361909739 /nfs/dbraw/zinc/90/97/39/361909739.db2.gz IWUJFKWWGQQABP-RTXFEEFZSA-N 0 3 243.347 0.213 20 0 BCADHN CC(C)=CCN1CCN(CCO)[C@H](C)C1 ZINC000187706151 538977044 /nfs/dbraw/zinc/97/70/44/538977044.db2.gz NVPGWAAQCBFHLT-GFCCVEGCSA-N 0 3 212.337 0.951 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)[C@@H](N)CCC(=O)OC ZINC000602574097 349623443 /nfs/dbraw/zinc/62/34/43/349623443.db2.gz WROLIHOODANRHS-HRDYMLBCSA-N 0 3 228.292 0.182 20 0 BCADHN COC(C)(C)[C@H](C)NC[C@H](C)S(C)(=O)=O ZINC000381983284 398290508 /nfs/dbraw/zinc/29/05/08/398290508.db2.gz FVPHVMHBTBOLKE-IUCAKERBSA-N 0 3 237.365 0.823 20 0 BCADHN c1ncc(-c2cnc(N3CCNCC3)nc2)cn1 ZINC000630051394 361914563 /nfs/dbraw/zinc/91/45/63/361914563.db2.gz MJAWICNGIYPBSC-UHFFFAOYSA-N 0 3 242.286 0.343 20 0 BCADHN COCCNCCNC(=O)N1C[C@H](C)[C@@H]1C ZINC000418508074 192045117 /nfs/dbraw/zinc/04/51/17/192045117.db2.gz LXUCNGWYNNAKMP-UWVGGRQHSA-N 0 3 229.324 0.272 20 0 BCADHN Cc1cccc(NCCN2CC[C@@H](O)C2)n1 ZINC000624678032 342818038 /nfs/dbraw/zinc/81/80/38/342818038.db2.gz BXGUTJTZZKCGPF-LLVKDONJSA-N 0 3 221.304 0.869 20 0 BCADHN CO[C@H](CNC(=O)CCOC1CNC1)C(C)C ZINC000348989608 536592028 /nfs/dbraw/zinc/59/20/28/536592028.db2.gz CZDBPEWVKXQECA-LLVKDONJSA-N 0 3 244.335 0.152 20 0 BCADHN COCCC1CN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000630049243 361918634 /nfs/dbraw/zinc/91/86/34/361918634.db2.gz RKQKHZYSNXTKCA-LBPRGKRZSA-N 0 3 243.347 0.621 20 0 BCADHN CS[C@H](C)CNCc1cnc(N)nc1N ZINC000602571865 349622229 /nfs/dbraw/zinc/62/22/29/349622229.db2.gz PKZLDVQSNKCJKT-ZCFIWIBFSA-N 0 3 227.337 0.143 20 0 BCADHN COCCN(C)CCCNC(=O)[C@H]1CCCO1 ZINC000041966848 342820817 /nfs/dbraw/zinc/82/08/17/342820817.db2.gz XBOQFFDKFVTSJY-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN COC[C@H](C)CN1CCNC(=O)[C@@H]1C(C)C ZINC000187171357 538976058 /nfs/dbraw/zinc/97/60/58/538976058.db2.gz CMWQSNVJTYAQBS-MNOVXSKESA-N 0 3 228.336 0.725 20 0 BCADHN C[C@H](C(=O)N1C[C@@H](C)NC[C@@H]1C)n1cccn1 ZINC000086468118 398292417 /nfs/dbraw/zinc/29/24/17/398292417.db2.gz NPNVZLOSJFXGKQ-OUAUKWLOSA-N 0 3 236.319 0.653 20 0 BCADHN C/C=C/C[C@@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000624766861 342827956 /nfs/dbraw/zinc/82/79/56/342827956.db2.gz WDMUNKLGQLQIAQ-GKQMSVHHSA-N 0 3 248.334 0.879 20 0 BCADHN CCC(CC)S(=O)(=O)C(C)C(N)=O ZINC000102073916 168395868 /nfs/dbraw/zinc/39/58/68/168395868.db2.gz POFBLXVWKJAYIY-ZCFIWIBFSA-N 0 3 207.295 0.464 20 0 BCADHN CCN(C)CCNC(=O)Cc1c(C)noc1C ZINC000066958704 361927295 /nfs/dbraw/zinc/92/72/95/361927295.db2.gz VFMZHEPIAKIMOL-UHFFFAOYSA-N 0 3 239.319 0.902 20 0 BCADHN CCN(C)CCNC(=O)c1ccncc1 ZINC000066959260 361928478 /nfs/dbraw/zinc/92/84/78/361928478.db2.gz HRRRCYUVUJARHW-UHFFFAOYSA-N 0 3 207.277 0.763 20 0 BCADHN CCn1cnnc1CCNCC1(F)CC1 ZINC000380359519 538989938 /nfs/dbraw/zinc/98/99/38/538989938.db2.gz XTHQDHWZIKAKFX-UHFFFAOYSA-N 0 3 212.272 0.932 20 0 BCADHN CCCCOC[C@H](O)CN[C@@H]1CC[S@](=O)C1 ZINC000583989375 342830245 /nfs/dbraw/zinc/83/02/45/342830245.db2.gz AEASEMVBPSDBRA-UVWXRNBGSA-N 0 3 249.376 0.275 20 0 BCADHN CNC(=O)CCNCc1ccc(O)cc1 ZINC000044987681 538990754 /nfs/dbraw/zinc/99/07/54/538990754.db2.gz CFLSHEFJMRFDFL-UHFFFAOYSA-N 0 3 208.261 0.618 20 0 BCADHN Cc1n[nH]cc1CN(C)CC1CC(O)C1 ZINC000191167662 538991595 /nfs/dbraw/zinc/99/15/95/538991595.db2.gz GFOHCHAYQWSPBY-UHFFFAOYSA-N 0 3 209.293 0.921 20 0 BCADHN Cc1ncccc1CNC[C@](C)(O)CO ZINC000379875680 538980869 /nfs/dbraw/zinc/98/08/69/538980869.db2.gz SPKFIUCQSOYHHS-NSHDSACASA-N 0 3 210.277 0.223 20 0 BCADHN CCCNC(=O)CN[C@@]1(CC)CCOC1 ZINC000379916067 538981757 /nfs/dbraw/zinc/98/17/57/538981757.db2.gz CGLXMWGXYSGIHN-NSHDSACASA-N 0 3 214.309 0.671 20 0 BCADHN Cc1cc(CNCC2(C)COC2)ncn1 ZINC000379926274 538981915 /nfs/dbraw/zinc/98/19/15/538981915.db2.gz LNPZSONMVUSCCB-UHFFFAOYSA-N 0 3 207.277 0.911 20 0 BCADHN COCCO[C@@H]1COCC[C@@H]1NC1CSC1 ZINC000381763499 539006974 /nfs/dbraw/zinc/00/69/74/539006974.db2.gz UPLZBZAUQNLNIM-WDEREUQCSA-N 0 3 247.360 0.512 20 0 BCADHN C[C@H](NCCCn1cncn1)c1cnn(C)c1 ZINC000381850895 539007511 /nfs/dbraw/zinc/00/75/11/539007511.db2.gz ZVDLSCKUXUYLIM-JTQLQIEISA-N 0 3 234.307 0.753 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN1CC(C)(C)C1 ZINC000381883335 539007930 /nfs/dbraw/zinc/00/79/30/539007930.db2.gz PNPADLONTRPQSW-WDEREUQCSA-N 0 3 231.336 0.741 20 0 BCADHN CCn1nccc1C(=O)NC1CCN(C)CC1 ZINC000196684627 539011937 /nfs/dbraw/zinc/01/19/37/539011937.db2.gz CLDSEKCSAOJVCK-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN O=c1ccccn1CCN1CCC[C@@H]1CCO ZINC000383986575 539012344 /nfs/dbraw/zinc/01/23/44/539012344.db2.gz MNJIQMQMMJJDPM-GFCCVEGCSA-N 0 3 236.315 0.695 20 0 BCADHN Cc1nn(C)cc1CN[C@H](CO)CC1CC1 ZINC000381392245 538999667 /nfs/dbraw/zinc/99/96/67/538999667.db2.gz OKADZYOAXWTZKO-LBPRGKRZSA-N 0 3 223.320 0.979 20 0 BCADHN COC[C@@](C)(O)CNCc1ccc(O)cc1 ZINC000390547133 539026223 /nfs/dbraw/zinc/02/62/23/539026223.db2.gz NEDXEEJVPDYFFY-LBPRGKRZSA-N 0 3 225.288 0.879 20 0 BCADHN C[C@@H]1CSC[C@@H]1NCC(=O)Nc1ccon1 ZINC000390608758 539026680 /nfs/dbraw/zinc/02/66/80/539026680.db2.gz DKZHASCIVCOMEX-SFYZADRCSA-N 0 3 241.316 0.376 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCc1cccnc1 ZINC000011805354 342843510 /nfs/dbraw/zinc/84/35/10/342843510.db2.gz DCFYSTCLCDJWMO-NSHDSACASA-N 0 3 221.304 0.724 20 0 BCADHN CC(C)CC[C@H](C)NC(=O)CN1CCNCC1 ZINC000036946281 398297712 /nfs/dbraw/zinc/29/77/12/398297712.db2.gz JRGYULAGWVCNPA-LBPRGKRZSA-N 0 3 241.379 0.833 20 0 BCADHN COCCNC(=O)N(C)CCN1CCCCC1 ZINC000649500046 398297732 /nfs/dbraw/zinc/29/77/32/398297732.db2.gz SWXOPLOHQIRKLG-UHFFFAOYSA-N 0 3 243.351 0.760 20 0 BCADHN CC(C)COC[C@H](O)CNC1CSC1 ZINC000389250148 539015373 /nfs/dbraw/zinc/01/53/73/539015373.db2.gz CFVCHEYKBVMJIA-SNVBAGLBSA-N 0 3 219.350 0.725 20 0 BCADHN C[C@H](CCO)N(C)C(=O)NC1CCN(C)CC1 ZINC000650561361 398298430 /nfs/dbraw/zinc/29/84/30/398298430.db2.gz LGNOVCZUILTYCX-SNVBAGLBSA-N 0 3 243.351 0.493 20 0 BCADHN C[C@H]1COCC[C@H]1NCc1cn(C)cn1 ZINC000389573792 539016927 /nfs/dbraw/zinc/01/69/27/539016927.db2.gz CBZWRJBVJRRVDX-GXSJLCMTSA-N 0 3 209.293 0.935 20 0 BCADHN CN(CC(C)(CO)CO)[C@H]1CCCOC1 ZINC000389495896 539016953 /nfs/dbraw/zinc/01/69/53/539016953.db2.gz IFRAXAMCRVONHQ-JTQLQIEISA-N 0 3 217.309 0.088 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CN(C)C[C@H]1C ZINC000389933935 539019034 /nfs/dbraw/zinc/01/90/34/539019034.db2.gz MFZKEQNLROXGRC-NXEZZACHSA-N 0 3 213.325 0.051 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccccc1-n1cncn1 ZINC000037027687 398300258 /nfs/dbraw/zinc/30/02/58/398300258.db2.gz LMAOYQFEZQONCH-VIFPVBQESA-N 0 3 245.286 0.943 20 0 BCADHN CCN(C[C@@H]1CCC(=O)N1)C[C@@H]1CCCO1 ZINC000649502887 398300319 /nfs/dbraw/zinc/30/03/19/398300319.db2.gz YBAXQBMCHWJGBH-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN CN(C)CCc1cn(Cc2ccn(C)n2)nn1 ZINC000640755409 361993372 /nfs/dbraw/zinc/99/33/72/361993372.db2.gz XLQQUPMIPWJGPX-UHFFFAOYSA-N 0 3 234.307 0.164 20 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CN(C[C@H]1CCCC[C@@H]1O)[C@@H]1COC[C@H]1O ZINC000583997347 342864154 /nfs/dbraw/zinc/86/41/54/342864154.db2.gz FEKPTBMEMCCJMG-WISYIIOYSA-N 0 3 229.320 0.229 20 0 BCADHN CC(C)NCC(=O)N[C@H](C)C1CCOCC1 ZINC000232667409 342868209 /nfs/dbraw/zinc/86/82/09/342868209.db2.gz VQGGCKIWUNUMRV-SNVBAGLBSA-N 0 3 228.336 0.916 20 0 BCADHN CN1CCC[C@@H]1CN1CCn2cnnc2C1 ZINC000649516824 398306436 /nfs/dbraw/zinc/30/64/36/398306436.db2.gz JHAXGSVSAVKQRZ-SNVBAGLBSA-N 0 3 221.308 0.188 20 0 BCADHN C(CN1CCCOCC1)OC1CCOCC1 ZINC000625116243 342875183 /nfs/dbraw/zinc/87/51/83/342875183.db2.gz GLAUSFAAYGPCAT-UHFFFAOYSA-N 0 3 229.320 0.904 20 0 BCADHN C[C@H](CN[C@@H]1CCC[C@@H]1CO)S(C)(=O)=O ZINC000583994534 342857479 /nfs/dbraw/zinc/85/74/79/342857479.db2.gz FWBYPOZFUSZJLC-OPRDCNLKSA-N 0 3 235.349 0.170 20 0 BCADHN Cn1ccc(CNCCc2cncn2C)n1 ZINC000401632717 342859009 /nfs/dbraw/zinc/85/90/09/342859009.db2.gz AUIQQPUSTDOGFQ-UHFFFAOYSA-N 0 3 219.292 0.486 20 0 BCADHN CCOCCN(C)CCOCCOC ZINC000093312400 398310830 /nfs/dbraw/zinc/31/08/30/398310830.db2.gz NPMKTCMZTBGAAC-UHFFFAOYSA-N 0 3 205.298 0.618 20 0 BCADHN Cc1cnccc1CN(CCO)CCCO ZINC000625158661 342897063 /nfs/dbraw/zinc/89/70/63/342897063.db2.gz KPIUGKLRDNWXGD-UHFFFAOYSA-N 0 3 224.304 0.567 20 0 BCADHN CC(C)N(C)C(=O)CN1CCN2CCC[C@H]2C1 ZINC000336343400 398318148 /nfs/dbraw/zinc/31/81/48/398318148.db2.gz LGIQCWFUNBUPKC-LBPRGKRZSA-N 0 3 239.363 0.633 20 0 BCADHN Cn1cc(CCN2CCN(C3CCC3)CC2)nn1 ZINC000625164284 342898343 /nfs/dbraw/zinc/89/83/43/342898343.db2.gz FCIYZALDMXOCFJ-UHFFFAOYSA-N 0 3 249.362 0.528 20 0 BCADHN COC(=O)CCCCCNC(=O)[C@H](C)N ZINC000034206567 342880467 /nfs/dbraw/zinc/88/04/67/342880467.db2.gz MPTDEOFISYHPMY-QMMMGPOBSA-N 0 3 216.281 0.183 20 0 BCADHN Nc1nc(N)nc(NCC[C@@H]2CC=CCC2)n1 ZINC000624593354 398319083 /nfs/dbraw/zinc/31/90/83/398319083.db2.gz DHADQXANZWHLCV-MRVPVSSYSA-N 0 3 234.307 0.277 20 0 BCADHN CCN(CCNC(=O)c1cnsn1)C1CC1 ZINC000101957410 398319691 /nfs/dbraw/zinc/31/96/91/398319691.db2.gz KKAYJUWPHWWNHQ-UHFFFAOYSA-N 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CC(C)C[C@H](N)C(=O)Nc1cnn(C)c1 ZINC000035738045 342891272 /nfs/dbraw/zinc/89/12/72/342891272.db2.gz ORIFVIRDQYHCCL-VIFPVBQESA-N 0 3 210.281 0.732 20 0 BCADHN CCCCOC[C@@H](O)CNC[C@@H](O)C(F)F ZINC000232988899 342891410 /nfs/dbraw/zinc/89/14/10/342891410.db2.gz OSURPIJVFSQMRI-DTWKUNHWSA-N 0 3 241.278 0.380 20 0 BCADHN C[C@H](O)CCN(C)CCc1cn(C)nn1 ZINC000625185180 342904729 /nfs/dbraw/zinc/90/47/29/342904729.db2.gz VQWXOBRGVMOQBO-VIFPVBQESA-N 0 3 212.297 0.060 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)[C@H](N)CCSC ZINC000233942367 342907866 /nfs/dbraw/zinc/90/78/66/342907866.db2.gz PYZVTCZYHHJUCA-IWSPIJDZSA-N 0 3 216.350 0.982 20 0 BCADHN CCCN(C)CC(=O)N(C)C1CCOCC1 ZINC000531063306 398322458 /nfs/dbraw/zinc/32/24/58/398322458.db2.gz XINQHKOVFNYDMN-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CN(CCOc1ccccc1)CCC(N)=O ZINC000016372756 342909962 /nfs/dbraw/zinc/90/99/62/342909962.db2.gz YKZVBUVFZSOBHP-UHFFFAOYSA-N 0 3 222.288 0.873 20 0 BCADHN CSC[C@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000300855691 259328046 /nfs/dbraw/zinc/32/80/46/259328046.db2.gz KEHRTIAWUZCIIM-DTWKUNHWSA-N 0 3 232.349 0.090 20 0 BCADHN CSC[C@@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000300855690 259328096 /nfs/dbraw/zinc/32/80/96/259328096.db2.gz KEHRTIAWUZCIIM-BDAKNGLRSA-N 0 3 232.349 0.090 20 0 BCADHN CN1C(=O)N[C@]2(CCN([C@@H]3C=CCCC3)C2)C1=O ZINC000264542073 398324102 /nfs/dbraw/zinc/32/41/02/398324102.db2.gz HVYUOUWPEZLBTJ-MFKMUULPSA-N 0 3 249.314 0.721 20 0 BCADHN Cn1cc(CCN(CCCCO)C2CC2)nn1 ZINC000625184367 342904330 /nfs/dbraw/zinc/90/43/30/342904330.db2.gz NSISXAVZZRECFD-UHFFFAOYSA-N 0 3 238.335 0.595 20 0 BCADHN CCO[C@H](CN(C)CC(C)(CO)CO)C1CC1 ZINC000625227460 342922366 /nfs/dbraw/zinc/92/23/66/342922366.db2.gz OKPORSWTAJWSPI-GFCCVEGCSA-N 0 3 245.363 0.724 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@H](COC)C1 ZINC000234421348 342924807 /nfs/dbraw/zinc/92/48/07/342924807.db2.gz QMFXESFLMCYDRK-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN CCc1nn(C)cc1CN1C[C@H](O)C[C@@H]1C ZINC000682644439 488187399 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CCCN(C)CC(=O)N[C@](C)(CC)CCO ZINC000351651809 136249266 /nfs/dbraw/zinc/24/92/66/136249266.db2.gz RAIKKSXQXRIYKW-GFCCVEGCSA-N 0 3 230.352 0.996 20 0 BCADHN C[C@H](CO)CCCNC(=O)N[C@@H](C)CN(C)C ZINC000354711973 398329665 /nfs/dbraw/zinc/32/96/65/398329665.db2.gz USRQMJQTWXJVED-QWRGUYRKSA-N 0 3 245.367 0.644 20 0 BCADHN CN(C)CCn1ncc2cc(O)ccc2c1=O ZINC000634589204 342935312 /nfs/dbraw/zinc/93/53/12/342935312.db2.gz QWRPHUDONFGNBY-UHFFFAOYSA-N 0 3 233.271 0.664 20 0 BCADHN C[NH+](C)CCn1ncc2cc([O-])ccc2c1=O ZINC000634589204 342935315 /nfs/dbraw/zinc/93/53/15/342935315.db2.gz QWRPHUDONFGNBY-UHFFFAOYSA-N 0 3 233.271 0.664 20 0 BCADHN COC1CC(C(=O)N(C)CCN2CCCC2)C1 ZINC000625247254 342935991 /nfs/dbraw/zinc/93/59/91/342935991.db2.gz YPOOMLTUPJVBMI-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000650601786 398330330 /nfs/dbraw/zinc/33/03/30/398330330.db2.gz OJAZDFSXFGIZBF-SRVKXCTJSA-N 0 3 240.347 0.605 20 0 BCADHN COC[C@H](C)CN1C[C@H](C)N(CCO)C[C@H]1C 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136251201 /nfs/dbraw/zinc/25/12/01/136251201.db2.gz MWOFVLVADBTOFV-KOLCDFICSA-N 0 3 247.310 0.980 20 0 BCADHN C[C@@H](F)CC[NH+]1CCC2(CC1)NC(=O)[N-]C2=O ZINC000351752621 136251327 /nfs/dbraw/zinc/25/13/27/136251327.db2.gz RZNURZXLCGBQNH-MRVPVSSYSA-N 0 3 243.282 0.409 20 0 BCADHN COC(=O)CN1CCNC[C@H]1c1ccccc1 ZINC000313360339 259333889 /nfs/dbraw/zinc/33/38/89/259333889.db2.gz KUEKBFFNJMXYRA-LBPRGKRZSA-N 0 3 234.299 0.806 20 0 BCADHN CC[C@@](C)(NC[C@H](OC)C1CC1)C(N)=O ZINC000400269129 529506138 /nfs/dbraw/zinc/50/61/38/529506138.db2.gz XFKKVARQBUPKMO-GXSJLCMTSA-N 0 3 214.309 0.655 20 0 BCADHN COC[C@@H](C)OC[C@H](O)CNCc1ccoc1 ZINC000234858165 342956625 /nfs/dbraw/zinc/95/66/25/342956625.db2.gz SNCQIMWWTUONMG-ZYHUDNBSSA-N 0 3 243.303 0.782 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H](O)C[C@H]1C ZINC000351816587 136255271 /nfs/dbraw/zinc/25/52/71/136255271.db2.gz TZNNXEMGCXNRTJ-NXEZZACHSA-N 0 3 214.309 0.310 20 0 BCADHN CC(C)N1CC[C@H](N2C[C@@H](C)[C@H](O)C2)C1=O ZINC000351804360 136253598 /nfs/dbraw/zinc/25/35/98/136253598.db2.gz AFTZBTCSTIBANU-OUAUKWLOSA-N 0 3 226.320 0.308 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000351811685 136254556 /nfs/dbraw/zinc/25/45/56/136254556.db2.gz PSMVIAMATXBBTL-YFKTTZPYSA-N 0 3 240.347 0.841 20 0 BCADHN CCc1cc(N2C[C@@H](O)[C@H](OC)C2)ccn1 ZINC000307768921 529536809 /nfs/dbraw/zinc/53/68/09/529536809.db2.gz AJAYCCAFKUAWAR-VXGBXAGGSA-N 0 3 222.288 0.840 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@@H](C)[C@H]1CC1(F)F ZINC000602707404 349700698 /nfs/dbraw/zinc/70/06/98/349700698.db2.gz ACLXWEVXOBGADB-UYXSQOIJSA-N 0 3 249.257 0.950 20 0 BCADHN CC[C@@H]1[C@H](C)CCN1CCS(=O)(=O)N(C)C ZINC000351835026 136256507 /nfs/dbraw/zinc/25/65/07/136256507.db2.gz VZADNZOQAXCEIW-GHMZBOCLSA-N 0 3 248.392 0.998 20 0 BCADHN CN(C)CC(=O)N1CCN(CCCCF)CC1 ZINC000351844858 136256817 /nfs/dbraw/zinc/25/68/17/136256817.db2.gz NQNKNLDJCJWOME-UHFFFAOYSA-N 0 3 245.342 0.442 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N(C)[C@@H]2CCOC2)C1 ZINC000167477343 136255519 /nfs/dbraw/zinc/25/55/19/136255519.db2.gz YPXYUERSOCEAGS-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@@H](C)CN1CCCC[C@@H]1C(N)=O ZINC000189559288 346906025 /nfs/dbraw/zinc/90/60/25/346906025.db2.gz LJLNSDYZXAOJID-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@@H](F)CN1C[C@@H](OC)C[C@H]1CO ZINC000495462681 529552178 /nfs/dbraw/zinc/55/21/78/529552178.db2.gz YJMJZUVHQBXMEY-UTLUCORTSA-N 0 3 205.273 0.816 20 0 BCADHN Cn1cc(CNCCn2cccn2)cn1 ZINC000040543731 342973816 /nfs/dbraw/zinc/97/38/16/342973816.db2.gz XIRJDWPYLGVVCT-UHFFFAOYSA-N 0 3 205.265 0.406 20 0 BCADHN C[C@H](F)CCN1CCN(C(=O)CN(C)C)CC1 ZINC000351845105 136256879 /nfs/dbraw/zinc/25/68/79/136256879.db2.gz QMISMLKZWVMXCP-NSHDSACASA-N 0 3 245.342 0.440 20 0 BCADHN O=[S@@]1C[C@@H]2C[C@H]1CN2CCC[C@@H]1CCO1 ZINC000602713605 349705330 /nfs/dbraw/zinc/70/53/30/349705330.db2.gz WKJLEGSMFPUOMB-BQVMBELUSA-N 0 3 229.345 0.761 20 0 BCADHN CCn1ccnc1CNC(=O)/C=C\CN(C)C ZINC000493125531 529570450 /nfs/dbraw/zinc/57/04/50/529570450.db2.gz XWLZTVOIZHXMIQ-WAYWQWQTSA-N 0 3 236.319 0.637 20 0 BCADHN COCCN1CCN(CC[C@@H](C)F)CC1 ZINC000351858178 136258788 /nfs/dbraw/zinc/25/87/88/136258788.db2.gz NBFYAIOWHVRXNU-LLVKDONJSA-N 0 3 218.316 0.999 20 0 BCADHN CCC[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000036873392 342992901 /nfs/dbraw/zinc/99/29/01/342992901.db2.gz IXFYQSHRLOHOCU-VHSXEESVSA-N 0 3 241.335 0.193 20 0 BCADHN C[C@](O)(C(=O)N1CCN2CCC[C@H]2C1)C1CC1 ZINC000335901389 136259024 /nfs/dbraw/zinc/25/90/24/136259024.db2.gz DBCLENVQRRIMGF-WCQYABFASA-N 0 3 238.331 0.454 20 0 BCADHN COC(CN1CCOCC[C@@H]1C)OC ZINC000162449788 349710236 /nfs/dbraw/zinc/71/02/36/349710236.db2.gz QCEYFVXRJHJORK-VIFPVBQESA-N 0 3 203.282 0.716 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](C)c1nccs1 ZINC000235154057 342988294 /nfs/dbraw/zinc/98/82/94/342988294.db2.gz ZDGVSVJDNBIKTQ-RNFRBKRXSA-N 0 3 213.306 0.710 20 0 BCADHN CCN(C#N)CCN1CCN(C)[C@H](C)[C@@H]1C ZINC000602796214 349737951 /nfs/dbraw/zinc/73/79/51/349737951.db2.gz DHHYMQCCSZKRQC-NEPJUHHUSA-N 0 3 224.352 0.814 20 0 BCADHN CCN(C#N)CCN1C[C@H](C)N(C)C[C@H]1C ZINC000602798501 349739492 /nfs/dbraw/zinc/73/94/92/349739492.db2.gz OPBFMESHWQKCSN-NWDGAFQWSA-N 0 3 224.352 0.814 20 0 BCADHN CCN(C#N)CCN(C)C[C@H]1CCOC1 ZINC000602778567 349744801 /nfs/dbraw/zinc/74/48/01/349744801.db2.gz MCKMAECUHONBBQ-LLVKDONJSA-N 0 3 211.309 0.758 20 0 BCADHN CCN(C#N)CCN1CCC[C@H](CCO)C1 ZINC000602771613 349726216 /nfs/dbraw/zinc/72/62/16/349726216.db2.gz GFYXVQQMKQMVIG-GFCCVEGCSA-N 0 3 225.336 0.884 20 0 BCADHN CCS(=O)(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246979499 343006628 /nfs/dbraw/zinc/00/66/28/343006628.db2.gz MNBWBWHFYAWVHE-NXEZZACHSA-N 0 3 234.365 0.654 20 0 BCADHN CCN(C#N)CCN1CCN(C(C)C)CC1 ZINC000602757537 349732047 /nfs/dbraw/zinc/73/20/47/349732047.db2.gz AFZXPKROLXHKTR-UHFFFAOYSA-N 0 3 224.352 0.815 20 0 BCADHN CC[C@](C)(NC[C@H]1CCCO1)C(N)=O ZINC000037943222 343014511 /nfs/dbraw/zinc/01/45/11/343014511.db2.gz CYXMQJBVNUEXDW-SCZZXKLOSA-N 0 3 200.282 0.409 20 0 BCADHN CC(C)[C@](C)(NC[C@H]1CCCO1)C(N)=O ZINC000037942910 343014742 /nfs/dbraw/zinc/01/47/42/343014742.db2.gz BDJWNXCTGGUTBP-KOLCDFICSA-N 0 3 214.309 0.655 20 0 BCADHN CS(=O)(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000113361321 346917519 /nfs/dbraw/zinc/91/75/19/346917519.db2.gz YTLAVSWLKUSGML-SNVBAGLBSA-N 0 3 232.349 0.506 20 0 BCADHN CC(C)CN1CCN([C@@H](C)C(N)=O)CC1 ZINC000049969985 343019146 /nfs/dbraw/zinc/01/91/46/343019146.db2.gz QJPYLIDRLZJWHZ-JTQLQIEISA-N 0 3 213.325 0.134 20 0 BCADHN C[C@H](NC(=O)[C@@H]1C[C@@H]1N)c1cccnc1 ZINC000050458590 343021911 /nfs/dbraw/zinc/02/19/11/343021911.db2.gz RGNPBPVCALAVOE-SFGNSQDASA-N 0 3 205.261 0.606 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1ccncc1 ZINC000050459387 343022092 /nfs/dbraw/zinc/02/20/92/343022092.db2.gz CYWYDLJHJNWTET-VHSXEESVSA-N 0 3 205.261 0.088 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N(Cc1ccncc1)C1CC1 ZINC000050461737 343022297 /nfs/dbraw/zinc/02/22/97/343022297.db2.gz JDGOFXMQPPMBCI-NWDGAFQWSA-N 0 3 231.299 0.920 20 0 BCADHN CN(CCOc1ccccc1)C(=O)[C@@H]1C[C@@H]1N ZINC000050463602 343022331 /nfs/dbraw/zinc/02/23/31/343022331.db2.gz XDOHDXWHNOEKCJ-NEPJUHHUSA-N 0 3 234.299 0.871 20 0 BCADHN CCC(CC)N(CCOC)C(=O)[C@@H]1C[C@@H]1N ZINC000050462404 343022398 /nfs/dbraw/zinc/02/23/98/343022398.db2.gz NPQNYHALDXLGCY-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN CCN(C#N)CCN(C)[C@H]1CCN(C2CC2)C1 ZINC000602785120 349749029 /nfs/dbraw/zinc/74/90/29/349749029.db2.gz OXBQWMXUZZNWON-ZDUSSCGKSA-N 0 3 236.363 0.958 20 0 BCADHN CCN(C#N)CCN[C@@](C)(CCO)COC ZINC000602785256 349749841 /nfs/dbraw/zinc/74/98/41/349749841.db2.gz AOEOWHJTQVYKMZ-NSHDSACASA-N 0 3 229.324 0.166 20 0 BCADHN CCN(C#N)CCN1CC[C@@H](C)[C@H]1CO ZINC000602816738 349759094 /nfs/dbraw/zinc/75/90/94/349759094.db2.gz OEWOJISIZJCHJF-GHMZBOCLSA-N 0 3 211.309 0.492 20 0 BCADHN CCN(C#N)CCN1CC[C@H](CCCO)C1 ZINC000602836451 349776272 /nfs/dbraw/zinc/77/62/72/349776272.db2.gz FAFLDEUYHGFZEW-LBPRGKRZSA-N 0 3 225.336 0.884 20 0 BCADHN CCN(C#N)CCN(C)[C@H](C)C(C)(C)O ZINC000602836664 349776630 /nfs/dbraw/zinc/77/66/30/349776630.db2.gz QKEXKWPZEIDXDA-SNVBAGLBSA-N 0 3 213.325 0.881 20 0 BCADHN CC[C@H](C(N)=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000487999362 529628855 /nfs/dbraw/zinc/62/88/55/529628855.db2.gz ACJXPTRCCPHJFT-GHMZBOCLSA-N 0 3 227.352 0.522 20 0 BCADHN CN(C1CCN(CC2CC2)CC1)S(C)(=O)=O ZINC000335908954 136261773 /nfs/dbraw/zinc/26/17/73/136261773.db2.gz WFOQRGQQAZMOQI-UHFFFAOYSA-N 0 3 246.376 0.752 20 0 BCADHN CCN(C#N)CCN[C@@H](CO)[C@@H]1CCCOC1 ZINC000602844953 349780924 /nfs/dbraw/zinc/78/09/24/349780924.db2.gz VLNHQQGCISJBAA-NEPJUHHUSA-N 0 3 241.335 0.166 20 0 BCADHN COc1ccc(NC(=O)[C@H](C)N)cc1N ZINC000309425973 259343496 /nfs/dbraw/zinc/34/34/96/259343496.db2.gz KJJNNCOYSOWVSD-LURJTMIESA-N 0 3 209.249 0.563 20 0 BCADHN CC[C@H](N)C(=O)NCc1cc(C)cc(N)c1 ZINC000576822542 365695254 /nfs/dbraw/zinc/69/52/54/365695254.db2.gz JOLLXEGYBJDVIO-NSHDSACASA-N 0 3 221.304 0.931 20 0 BCADHN CC1(C)[C@@H](O)CCN1CC(=O)N1CCC1 ZINC000308813105 346922838 /nfs/dbraw/zinc/92/28/38/346922838.db2.gz DGFUHEQETLRLIX-VIFPVBQESA-N 0 3 212.293 0.064 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2)CCO1 ZINC000235673568 343055331 /nfs/dbraw/zinc/05/53/31/343055331.db2.gz WASKCASVUHJIEC-DCAQKATOSA-N 0 3 226.320 0.812 20 0 BCADHN O=C(Cc1cccs1)NC[C@H]1CNCCO1 ZINC000212316753 343073602 /nfs/dbraw/zinc/07/36/02/343073602.db2.gz ANFUWDGTANCUEZ-SECBINFHSA-N 0 3 240.328 0.395 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1ccc(OC)cc1 ZINC000048775669 343059135 /nfs/dbraw/zinc/05/91/35/343059135.db2.gz GCEIOCIBLDUDKR-JTQLQIEISA-N 0 3 236.315 0.962 20 0 BCADHN NC(=O)CCN1CC(Cc2ccco2)C1 ZINC000634651284 343061923 /nfs/dbraw/zinc/06/19/23/343061923.db2.gz KXDVTTRRPNIOMH-UHFFFAOYSA-N 0 3 208.261 0.629 20 0 BCADHN CC[C@@H](COC)NC1CN(C(=O)OC)C1 ZINC000181469779 259346475 /nfs/dbraw/zinc/34/64/75/259346475.db2.gz AZSDNNTVCXKQAF-QMMMGPOBSA-N 0 3 216.281 0.452 20 0 BCADHN Cc1ccncc1CNCCN1CC[C@H](O)C1 ZINC000623837779 343092143 /nfs/dbraw/zinc/09/21/43/343092143.db2.gz UMKDJQHRWDQRAR-ZDUSSCGKSA-N 0 3 235.331 0.546 20 0 BCADHN COC(=O)CCCN1CCN(C)C(C)(C)C1 ZINC000082484096 362026168 /nfs/dbraw/zinc/02/61/68/362026168.db2.gz IVJRAIFJIKVGLH-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN COCCN(CCC(C)C)[C@@H](C)C(N)=O ZINC000171578066 536832734 /nfs/dbraw/zinc/83/27/34/536832734.db2.gz OTLBOBYBLJOKQH-JTQLQIEISA-N 0 3 216.325 0.855 20 0 BCADHN O[C@H](CN[C@@H]1CCCC[C@H]1O)C(F)(F)F ZINC000236542560 343102218 /nfs/dbraw/zinc/10/22/18/343102218.db2.gz YISJVFXOXOPWRY-BWZBUEFSSA-N 0 3 227.226 0.803 20 0 BCADHN O=C(CNC1CC1)NCCOCC(F)(F)F ZINC000082627853 362071022 /nfs/dbraw/zinc/07/10/22/362071022.db2.gz BJODNMFZTIHXRM-UHFFFAOYSA-N 0 3 240.225 0.434 20 0 BCADHN C[C@@H](C(N)=O)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000640810272 362055903 /nfs/dbraw/zinc/05/59/03/362055903.db2.gz KHZUGUARIWRVJO-XPUUQOCRSA-N 0 3 225.296 0.370 20 0 BCADHN C[C@@H](C(N)=O)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000640810270 362055964 /nfs/dbraw/zinc/05/59/64/362055964.db2.gz KHZUGUARIWRVJO-POYBYMJQSA-N 0 3 225.296 0.370 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1ccccc1CO ZINC000236764159 343109901 /nfs/dbraw/zinc/10/99/01/343109901.db2.gz HFHCFXYXYSUYHQ-LBPRGKRZSA-N 0 3 236.315 0.778 20 0 BCADHN CC1(C)[C@H](NC(=O)CNC2CC2)[C@H]2CCO[C@@H]21 ZINC000236769994 343109980 /nfs/dbraw/zinc/10/99/80/343109980.db2.gz DNKZJMFTPBUTAL-JLLWLGSASA-N 0 3 238.331 0.668 20 0 BCADHN COC[C@@H](N)Cc1cn(CC=C(C)C)nn1 ZINC000640846478 362066056 /nfs/dbraw/zinc/06/60/56/362066056.db2.gz WSHVIXBKDCWHNM-JTQLQIEISA-N 0 3 224.308 0.761 20 0 BCADHN COCC1(N(C)CC2(CO)COC2)CC1 ZINC000677728420 488203594 /nfs/dbraw/zinc/20/35/94/488203594.db2.gz WOWWXHBDJGEEAC-UHFFFAOYSA-N 0 3 215.293 0.106 20 0 BCADHN COCCNCC(=O)NCC(C1CC1)C1CC1 ZINC000092510567 343148302 /nfs/dbraw/zinc/14/83/02/343148302.db2.gz ITDULAUHZICCQI-UHFFFAOYSA-N 0 3 240.347 0.775 20 0 BCADHN Cc1ccc(C(=O)N2CCN(C)C[C@@H]2CN)o1 ZINC000120767210 343131983 /nfs/dbraw/zinc/13/19/83/343131983.db2.gz GSUCXPUTASXGDD-JTQLQIEISA-N 0 3 237.303 0.303 20 0 BCADHN CCn1ccnc1CN[C@@H](C)CN(C)C ZINC000130313588 343180855 /nfs/dbraw/zinc/18/08/55/343180855.db2.gz HLGXPZRMRCWXBG-JTQLQIEISA-N 0 3 210.325 0.943 20 0 BCADHN OC(CN1CC=CCC1)CN1CC=CCC1 ZINC000683668978 488206450 /nfs/dbraw/zinc/20/64/50/488206450.db2.gz HCCRVONPHOQVPP-UHFFFAOYSA-N 0 3 222.332 0.871 20 0 BCADHN CC1(C)[C@H](NCC(=O)NC2CCCC2)C[C@@H]1O ZINC000129632928 343184310 /nfs/dbraw/zinc/18/43/10/343184310.db2.gz QBOMDLPKQMSELC-MNOVXSKESA-N 0 3 240.347 0.794 20 0 BCADHN CC[C@](C)(CO)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000576954252 365730590 /nfs/dbraw/zinc/73/05/90/365730590.db2.gz GXIDSVDQFQCJBP-GXFFZTMASA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000638696908 352535236 /nfs/dbraw/zinc/53/52/36/352535236.db2.gz WDQYJMTXYDXMCQ-WDEREUQCSA-N 0 3 226.320 0.668 20 0 BCADHN Cc1cc(=O)[nH]cc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000237466940 136272178 /nfs/dbraw/zinc/27/21/78/136272178.db2.gz MADVKZRTZSPMSE-NXEZZACHSA-N 0 3 249.314 0.506 20 0 BCADHN CN(CCc1cn(C)nn1)[C@@H]1CCSC1 ZINC000625268898 343166752 /nfs/dbraw/zinc/16/67/52/343166752.db2.gz SZZQUAHATRQCDU-SNVBAGLBSA-N 0 3 226.349 0.795 20 0 BCADHN CCN1CCN(CCc2cn(C)nn2)C[C@H]1C ZINC000625270058 343168473 /nfs/dbraw/zinc/16/84/73/343168473.db2.gz PWXQBRRHNRCUTR-LLVKDONJSA-N 0 3 237.351 0.384 20 0 BCADHN COCCOCCN1CC[C@](C)(C(=O)OC)C1 ZINC000177474808 346929858 /nfs/dbraw/zinc/92/98/58/346929858.db2.gz ZUGUKVVRVMQVIX-LBPRGKRZSA-N 0 3 245.319 0.534 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCCn1ccnn1 ZINC000127072206 343172110 /nfs/dbraw/zinc/17/21/10/343172110.db2.gz CBNJTKWSHOKCIB-UWVGGRQHSA-N 0 3 239.323 0.158 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@@H]1C[C@H](O)C1(C)C ZINC000128522366 343174885 /nfs/dbraw/zinc/17/48/85/343174885.db2.gz GOPKDAKRUCQQML-AXFHLTTASA-N 0 3 242.363 0.896 20 0 BCADHN C[C@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)C(F)F ZINC000641006109 362120385 /nfs/dbraw/zinc/12/03/85/362120385.db2.gz YWWKVRVFORGDNX-XHNCKOQMSA-N 0 3 247.289 0.986 20 0 BCADHN NC1(C(=O)Nc2ccc3oc(=O)[nH]c3c2)CCC1 ZINC000147730050 343198273 /nfs/dbraw/zinc/19/82/73/343198273.db2.gz WIPSGDRQGVKTHE-UHFFFAOYSA-N 0 3 247.254 0.941 20 0 BCADHN C[C@H](CNC(=O)c1ccc(N)cn1)N1CCCC1 ZINC000160730649 343203531 /nfs/dbraw/zinc/20/35/31/343203531.db2.gz YXUBCEKGIAWCMD-SNVBAGLBSA-N 0 3 248.330 0.878 20 0 BCADHN C[C@H](CNC(=O)c1cccc(N)n1)N1CCCC1 ZINC000161519979 343204598 /nfs/dbraw/zinc/20/45/98/343204598.db2.gz ZXCYFDAOBVYMBP-SNVBAGLBSA-N 0 3 248.330 0.878 20 0 BCADHN CCCNC(=O)CN[C@H]1C[C@H](O)C1(C)C ZINC000163330907 343206368 /nfs/dbraw/zinc/20/63/68/343206368.db2.gz UZHZXVBWLVEHKI-IUCAKERBSA-N 0 3 214.309 0.262 20 0 BCADHN CC(C)CNC(=O)CN[C@H]1C[C@@H](O)C1(C)C ZINC000163443747 343206604 /nfs/dbraw/zinc/20/66/04/343206604.db2.gz MXAQEWQUQRIKKY-VHSXEESVSA-N 0 3 228.336 0.508 20 0 BCADHN CC(C)CNC(=O)CN[C@H]1C[C@H](O)C1(C)C ZINC000163443515 343206790 /nfs/dbraw/zinc/20/67/90/343206790.db2.gz MXAQEWQUQRIKKY-UWVGGRQHSA-N 0 3 228.336 0.508 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NC[C@H](O)C(F)(F)F ZINC000163416582 343206848 /nfs/dbraw/zinc/20/68/48/343206848.db2.gz YXRGICUESPXVNM-QYNIQEEDSA-N 0 3 227.226 0.659 20 0 BCADHN CC(C)(C)NC(=O)CN[C@H]1C[C@@H](O)C1(C)C ZINC000163391776 343206854 /nfs/dbraw/zinc/20/68/54/343206854.db2.gz BXWXNGDUNYYKKH-DTWKUNHWSA-N 0 3 228.336 0.650 20 0 BCADHN C[C@H]1CN(CCc2cn(C)nn2)[C@@H](C)CN1C ZINC000625281443 343219007 /nfs/dbraw/zinc/21/90/07/343219007.db2.gz IOIRRJAHSVUVTC-QWRGUYRKSA-N 0 3 237.351 0.382 20 0 BCADHN O[C@H](CN[C@@H]1COC[C@H]1O)CC1CCCC1 ZINC000323311384 323038585 /nfs/dbraw/zinc/03/85/85/323038585.db2.gz RMHKGRJZWMFALN-QJPTWQEYSA-N 0 3 229.320 0.277 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](C)NC)CCS1 ZINC000133009144 343189577 /nfs/dbraw/zinc/18/95/77/343189577.db2.gz BODJBSAZDDSYHY-DTWKUNHWSA-N 0 3 216.350 0.948 20 0 BCADHN NC(=O)NC(=O)CN1C[C@H]2CCCC[C@@H]2C1 ZINC000177518511 346930859 /nfs/dbraw/zinc/93/08/59/346930859.db2.gz SGTYADILMBRPAB-RKDXNWHRSA-N 0 3 225.292 0.303 20 0 BCADHN O=C(CCc1ccccn1)NC[C@@H]1CNCCO1 ZINC000134253625 343193708 /nfs/dbraw/zinc/19/37/08/343193708.db2.gz GGGDTJGJMTXSFE-LBPRGKRZSA-N 0 3 249.314 0.119 20 0 BCADHN O=C(NCCc1cccnc1)[C@@]1(F)CCNC1 ZINC000366335835 136280684 /nfs/dbraw/zinc/28/06/84/136280684.db2.gz XEXUUVHFPFGROY-GFCCVEGCSA-N 0 3 237.278 0.442 20 0 BCADHN CN1CCC[C@@H](NC(=O)c2cc(=O)[nH]cn2)C1 ZINC000625297332 343225565 /nfs/dbraw/zinc/22/55/65/343225565.db2.gz LFDGLCXIAALRGV-MRVPVSSYSA-N 0 3 236.275 0.006 20 0 BCADHN CC[C@H](O)CN1CCCC[C@H]1COC(=O)NC ZINC000495641258 529697417 /nfs/dbraw/zinc/69/74/17/529697417.db2.gz PALMHWJKJJMISJ-QWRGUYRKSA-N 0 3 244.335 0.968 20 0 BCADHN COc1cncc(CN[C@H](C)[C@H](C)CO)n1 ZINC000625325385 343233253 /nfs/dbraw/zinc/23/32/53/343233253.db2.gz IEXBTBIVAHGRNT-RKDXNWHRSA-N 0 3 225.292 0.592 20 0 BCADHN CC1(O)CCN([C@@H]2CCCCNC2=O)CC1 ZINC000088023522 136283735 /nfs/dbraw/zinc/28/37/35/136283735.db2.gz OLZDYLISZGUBKJ-SNVBAGLBSA-N 0 3 226.320 0.502 20 0 BCADHN CC(C)OCCCNC(=O)C1(N)CCC1 ZINC000088050766 136284139 /nfs/dbraw/zinc/28/41/39/136284139.db2.gz IYPTZOQVHRIWCQ-UHFFFAOYSA-N 0 3 214.309 0.799 20 0 BCADHN CC[C@]1(O)CCN(CCc2cn(C)nn2)C1 ZINC000625340670 343240818 /nfs/dbraw/zinc/24/08/18/343240818.db2.gz CMLSCGKYPPWTKB-NSHDSACASA-N 0 3 224.308 0.204 20 0 BCADHN COCCN(C)CCNC(=O)CSC(C)C ZINC000608891419 343240876 /nfs/dbraw/zinc/24/08/76/343240876.db2.gz BWRLGXBMHVYUSM-UHFFFAOYSA-N 0 3 248.392 0.822 20 0 BCADHN CC(C)COC[C@@H](O)CN1CCC(C)(O)CC1 ZINC000177544242 346931685 /nfs/dbraw/zinc/93/16/85/346931685.db2.gz PUVAFSIAZJKAIQ-LBPRGKRZSA-N 0 3 245.363 0.867 20 0 BCADHN CC[C@H](C(N)=O)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000641022297 362139681 /nfs/dbraw/zinc/13/96/81/362139681.db2.gz WBGLBGMBHAMMJP-RKDXNWHRSA-N 0 3 239.323 0.760 20 0 BCADHN CC[C@@H]1CO[C@H](C)CN1C[C@@H]1CNCCO1 ZINC000043802624 488208787 /nfs/dbraw/zinc/20/87/87/488208787.db2.gz YNTOVGVBAIDEBJ-UTUOFQBUSA-N 0 3 228.336 0.474 20 0 BCADHN COC[C@@H](O)CN1C[C@H](C)OC(C)(C)C1 ZINC000068891232 343251953 /nfs/dbraw/zinc/25/19/53/343251953.db2.gz ZGXBCLXJHWWYKB-UWVGGRQHSA-N 0 3 217.309 0.493 20 0 BCADHN COC(=O)CCCN(C)[C@@H]1CCOC1 ZINC000069624636 343286427 /nfs/dbraw/zinc/28/64/27/343286427.db2.gz FVGQKXAEVBHSKE-SECBINFHSA-N 0 3 201.266 0.660 20 0 BCADHN CC[C@@H](N)c1cn(Cc2ccnc(C)n2)nn1 ZINC000641045758 362155848 /nfs/dbraw/zinc/15/58/48/362155848.db2.gz CPGIBPDHOULMAG-SNVBAGLBSA-N 0 3 232.291 0.835 20 0 BCADHN CC(C)(C)[C@@H](N)c1cn([C@@H]2CCNC2=O)nn1 ZINC000641045426 362155862 /nfs/dbraw/zinc/15/58/62/362155862.db2.gz KSNNWDKWGILIDI-BDAKNGLRSA-N 0 3 237.307 0.385 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2cc[nH]n2)nn1 ZINC000641049827 362156752 /nfs/dbraw/zinc/15/67/52/362156752.db2.gz SJANQZCKFXXFBU-SECBINFHSA-N 0 3 220.280 0.849 20 0 BCADHN Cc1cccc(CNC[C@@H](O)Cn2cccn2)n1 ZINC000051576064 343259058 /nfs/dbraw/zinc/25/90/58/343259058.db2.gz BMGSMNFSCRYTJP-CYBMUJFWSA-N 0 3 246.314 0.737 20 0 BCADHN CN1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)CCC1=O ZINC000084091677 136290153 /nfs/dbraw/zinc/29/01/53/136290153.db2.gz LAXLRJYCIUEHPO-PSASIEDQSA-N 0 3 241.335 0.097 20 0 BCADHN COC(=O)C[C@@H](NC(=O)CN)c1ccccc1 ZINC000033943643 343262927 /nfs/dbraw/zinc/26/29/27/343262927.db2.gz OLDBQWXVYXVYEZ-SNVBAGLBSA-N 0 3 236.271 0.366 20 0 BCADHN COC(=O)C[C@H](NC(=O)CN)c1ccccc1 ZINC000033943642 343263034 /nfs/dbraw/zinc/26/30/34/343263034.db2.gz OLDBQWXVYXVYEZ-JTQLQIEISA-N 0 3 236.271 0.366 20 0 BCADHN CC(C)[C@H](N)c1cn(Cc2cc[nH]n2)nn1 ZINC000641049062 362159999 /nfs/dbraw/zinc/15/99/99/362159999.db2.gz GSRIKVZTCSJIID-JTQLQIEISA-N 0 3 220.280 0.705 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@@H](C)OC[C@H]1CC ZINC000084200004 136290785 /nfs/dbraw/zinc/29/07/85/136290785.db2.gz RGUYXKAJAPLAEC-BBBLOLIVSA-N 0 3 214.309 0.750 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2c[nH]cn2)nn1 ZINC000641035508 362147452 /nfs/dbraw/zinc/14/74/52/362147452.db2.gz MFQGQYUGSOHKFL-SNVBAGLBSA-N 0 3 220.280 0.633 20 0 BCADHN C[C@H](CNC(=O)N[C@H](C)C(F)F)N(C)C ZINC000641035370 362148080 /nfs/dbraw/zinc/14/80/80/362148080.db2.gz HVTYDBFOIKUCQU-RNFRBKRXSA-N 0 3 223.267 0.889 20 0 BCADHN C[C@H](N)C(=O)NCCC(=O)N1CCCCCC1 ZINC000083939770 136287451 /nfs/dbraw/zinc/28/74/51/136287451.db2.gz JOEQTBCKKZDFKQ-JTQLQIEISA-N 0 3 241.335 0.243 20 0 BCADHN C[C@@H](N)C(=O)NCCC(=O)N1CCCCCC1 ZINC000083939776 136287555 /nfs/dbraw/zinc/28/75/55/136287555.db2.gz JOEQTBCKKZDFKQ-SNVBAGLBSA-N 0 3 241.335 0.243 20 0 BCADHN C[C@@H]1CCN(Cc2cnn(C)c2)C[C@H]1CO ZINC000621366629 343282550 /nfs/dbraw/zinc/28/25/50/343282550.db2.gz OFQJZBHAKWUUKR-PWSUYJOCSA-N 0 3 223.320 0.870 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N[C@@H]1CC12CC2 ZINC000335615826 136296086 /nfs/dbraw/zinc/29/60/86/136296086.db2.gz WWCXOMQZOMSOET-VHSXEESVSA-N 0 3 223.320 0.932 20 0 BCADHN Cc1cccc(CC(=O)NC[C@H]2CNCCO2)c1 ZINC000052127647 343319694 /nfs/dbraw/zinc/31/96/94/343319694.db2.gz WLMLOOSUONWATP-CYBMUJFWSA-N 0 3 248.326 0.642 20 0 BCADHN C[C@H](CN1CCOCC1)NCc1ccnn1C ZINC000036933298 343327846 /nfs/dbraw/zinc/32/78/46/343327846.db2.gz JETGDKWOFZIBOD-LLVKDONJSA-N 0 3 238.335 0.230 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)Cn1cccn1 ZINC000036999201 343330119 /nfs/dbraw/zinc/33/01/19/343330119.db2.gz DWLGMEKKHURUHJ-VWYCJHECSA-N 0 3 238.335 0.761 20 0 BCADHN CCC[C@H](N)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000037032658 343331699 /nfs/dbraw/zinc/33/16/99/343331699.db2.gz WPXKDNXAPXMHOF-NSHDSACASA-N 0 3 249.314 0.780 20 0 BCADHN CC1(CN2CCN3CCOC[C@@H]3C2)COC1 ZINC000348767874 136298134 /nfs/dbraw/zinc/29/81/34/136298134.db2.gz XYTCQRJYPVHGMG-NSHDSACASA-N 0 3 226.320 0.039 20 0 BCADHN COCCOCCN(CCO)C1CC1 ZINC000070029781 343295575 /nfs/dbraw/zinc/29/55/75/343295575.db2.gz MRWVOQRHOFUOEW-UHFFFAOYSA-N 0 3 203.282 0.106 20 0 BCADHN CN(C(=O)[C@@H]1C[C@@H]1N)C1Cc2ccccc2C1 ZINC000335285715 136292956 /nfs/dbraw/zinc/29/29/56/136292956.db2.gz RSMQEJLYUJHLJN-OLZOCXBDSA-N 0 3 230.311 0.959 20 0 BCADHN CN(C)CCc1cn(CCOCC2CC2)nn1 ZINC000641060069 362169161 /nfs/dbraw/zinc/16/91/61/362169161.db2.gz DJMXUUICEKJGSG-UHFFFAOYSA-N 0 3 238.335 0.809 20 0 BCADHN C[C@@H](O)CNCc1cc2ccccc2[nH]c1=O ZINC000035601476 343298325 /nfs/dbraw/zinc/29/83/25/343298325.db2.gz YYEQETZCIIVTAF-SECBINFHSA-N 0 3 232.283 0.999 20 0 BCADHN CCN(Cc1cnc2cnccn12)C[C@@H](C)O ZINC000348711595 136293950 /nfs/dbraw/zinc/29/39/50/136293950.db2.gz GPWBQMGUBRORJO-SNVBAGLBSA-N 0 3 234.303 0.932 20 0 BCADHN C[C@@H](O)CNCc1cccc(C(N)=O)c1 ZINC000035604117 343300112 /nfs/dbraw/zinc/30/01/12/343300112.db2.gz CSWFCDBWWCZTCQ-MRVPVSSYSA-N 0 3 208.261 0.256 20 0 BCADHN CCN(Cc1cnc2cnccn12)C[C@H](C)O ZINC000348711594 136294083 /nfs/dbraw/zinc/29/40/83/136294083.db2.gz GPWBQMGUBRORJO-JTQLQIEISA-N 0 3 234.303 0.932 20 0 BCADHN C[C@H](NC(=O)CN)c1ccc(Cl)cn1 ZINC000335607180 136294827 /nfs/dbraw/zinc/29/48/27/136294827.db2.gz QNRHNEMYWMUJRL-LURJTMIESA-N 0 3 213.668 0.871 20 0 BCADHN C[C@@H](NC(=O)CN)c1ccc(Cl)cn1 ZINC000335607182 136295030 /nfs/dbraw/zinc/29/50/30/136295030.db2.gz QNRHNEMYWMUJRL-ZCFIWIBFSA-N 0 3 213.668 0.871 20 0 BCADHN CC(C)[C@@H](N)c1cn([C@H]2CCCNC2=O)nn1 ZINC000641052938 362162747 /nfs/dbraw/zinc/16/27/47/362162747.db2.gz WOYCHVWPXWBZLB-VHSXEESVSA-N 0 3 237.307 0.385 20 0 BCADHN C[C@@H](NCC1(S(C)(=O)=O)CCCC1)[C@H](C)O ZINC000576978973 365741481 /nfs/dbraw/zinc/74/14/81/365741481.db2.gz DMYKRQXHXIOREK-ZJUUUORDSA-N 0 3 249.376 0.703 20 0 BCADHN CC(C)[C@@H](N)c1cn(Cc2cn(C)cn2)nn1 ZINC000641054449 362163178 /nfs/dbraw/zinc/16/31/78/362163178.db2.gz ZOVFSSVHNTUMCD-LLVKDONJSA-N 0 3 234.307 0.716 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)C ZINC000408331229 133470748 /nfs/dbraw/zinc/47/07/48/133470748.db2.gz WBNOJLGOZJIMIM-VHSXEESVSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@@H]1CCN(Cc2cn[nH]c2)C[C@@H]1CO ZINC000621371409 343308921 /nfs/dbraw/zinc/30/89/21/343308921.db2.gz CKLAGQVGKGHPFU-MWLCHTKSSA-N 0 3 209.293 0.860 20 0 BCADHN CCOCC(=O)NCCN1CCCC1 ZINC000070225342 343314922 /nfs/dbraw/zinc/31/49/22/343314922.db2.gz YNHQQTIESXSLLP-UHFFFAOYSA-N 0 3 200.282 0.235 20 0 BCADHN C[C@@H](N)C(=O)N(C)CCOc1ccccc1 ZINC000037797955 343355818 /nfs/dbraw/zinc/35/58/18/343355818.db2.gz RUKRZEJRUWKFJA-SNVBAGLBSA-N 0 3 222.288 0.871 20 0 BCADHN COc1cc(CN(C)C(=O)CN)ccc1O ZINC000037822845 343357056 /nfs/dbraw/zinc/35/70/56/343357056.db2.gz CIWPFVZHAUUPEH-UHFFFAOYSA-N 0 3 224.260 0.318 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000037818359 343357079 /nfs/dbraw/zinc/35/70/79/343357079.db2.gz DWBIMIXFAAKDNU-CMPLNLGQSA-N 0 3 234.299 0.934 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CCNC(C)(C)C1 ZINC000335627351 136299798 /nfs/dbraw/zinc/29/97/98/136299798.db2.gz PSYBMABPKHWYOS-SECBINFHSA-N 0 3 227.352 0.570 20 0 BCADHN c1n[nH]cc1CN1CCN(CC2CC2)CC1 ZINC000678172250 488212501 /nfs/dbraw/zinc/21/25/01/488212501.db2.gz BHXLLTLXNPDXEX-UHFFFAOYSA-N 0 3 220.320 0.937 20 0 BCADHN COCc1cccc(CN[C@@H]2COC[C@H]2O)c1 ZINC000038010789 343365740 /nfs/dbraw/zinc/36/57/40/343365740.db2.gz QPHKIWNBFLHNIH-CHWSQXEVSA-N 0 3 237.299 0.682 20 0 BCADHN Cc1ccc(CC(=O)N2CCCNCC2)cn1 ZINC000262175440 178515477 /nfs/dbraw/zinc/51/54/77/178515477.db2.gz PQTWCGIPYSIFAX-UHFFFAOYSA-N 0 3 233.315 0.754 20 0 BCADHN CC[C@H](COC)NCC(=O)NC(C)(C)C ZINC000070625563 343335844 /nfs/dbraw/zinc/33/58/44/343335844.db2.gz VDNGSZYCLUAUOB-SECBINFHSA-N 0 3 216.325 0.916 20 0 BCADHN C[C@H](Cn1cccn1)NCc1cnn(C)c1 ZINC000037154648 343336950 /nfs/dbraw/zinc/33/69/50/343336950.db2.gz AFPIZJMRZVGUAD-SNVBAGLBSA-N 0 3 219.292 0.795 20 0 BCADHN C[C@H](Cn1ccnc1)NCc1cnn(C)c1 ZINC000037157032 343337582 /nfs/dbraw/zinc/33/75/82/343337582.db2.gz BLLYGNFYZJIZDU-SNVBAGLBSA-N 0 3 219.292 0.795 20 0 BCADHN Cc1ccc(CN(C)CCC(N)=O)cn1 ZINC000348838047 136301883 /nfs/dbraw/zinc/30/18/83/136301883.db2.gz LPYCENIZGDONLV-UHFFFAOYSA-N 0 3 207.277 0.697 20 0 BCADHN CN(C)C(=O)CN1CCC[C@]12CCOC2 ZINC000367063338 136302100 /nfs/dbraw/zinc/30/21/00/136302100.db2.gz VGZSJRZQDQFURV-LLVKDONJSA-N 0 3 212.293 0.330 20 0 BCADHN CN(C)C(=O)CN1CCC[C@@]12CCOC2 ZINC000367063339 136302252 /nfs/dbraw/zinc/30/22/52/136302252.db2.gz VGZSJRZQDQFURV-NSHDSACASA-N 0 3 212.293 0.330 20 0 BCADHN CN(CCC(N)=O)Cc1ccc(-c2cc[nH]n2)o1 ZINC000348836872 136302409 /nfs/dbraw/zinc/30/24/09/136302409.db2.gz FBHSZQAZACYMOQ-UHFFFAOYSA-N 0 3 248.286 0.977 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1CCCOC1 ZINC000071023757 343342714 /nfs/dbraw/zinc/34/27/14/343342714.db2.gz ZSRQTHZCYOIFHX-BDAKNGLRSA-N 0 3 200.282 0.409 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cnn3c2CCC3)[C@H]1C ZINC000335644081 136303809 /nfs/dbraw/zinc/30/38/09/136303809.db2.gz OKJHJNVACSZKGF-ZJUUUORDSA-N 0 3 248.330 0.652 20 0 BCADHN Cc1ncc(CN(C)CCN(C)C)cn1 ZINC000348895236 136303817 /nfs/dbraw/zinc/30/38/17/136303817.db2.gz QWHZFSQDPUQRNS-UHFFFAOYSA-N 0 3 208.309 0.778 20 0 BCADHN Cc1cccc(NC(=O)C(=O)N(C)C2CNC2)c1 ZINC000335648158 136304365 /nfs/dbraw/zinc/30/43/65/136304365.db2.gz AMGAORBXUIGCFF-UHFFFAOYSA-N 0 3 247.298 0.364 20 0 BCADHN C[C@@H](NC(=O)N1CCCNCC1)C1CC1 ZINC000335648266 136304498 /nfs/dbraw/zinc/30/44/98/136304498.db2.gz DQUSAINWUKFFBW-SECBINFHSA-N 0 3 211.309 0.790 20 0 BCADHN C[C@@H](O)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000335650336 136304584 /nfs/dbraw/zinc/30/45/84/136304584.db2.gz MUHYQNQGUPEORV-SCZZXKLOSA-N 0 3 212.293 0.062 20 0 BCADHN CCOCCCn1cc(C[C@H](N)COC)nn1 ZINC000641062576 362171198 /nfs/dbraw/zinc/17/11/98/362171198.db2.gz RBOYJJSXNHMDMP-JTQLQIEISA-N 0 3 242.323 0.221 20 0 BCADHN COCCNC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000668165548 488212298 /nfs/dbraw/zinc/21/22/98/488212298.db2.gz FVSLJGDJMZDKTD-SNVBAGLBSA-N 0 3 229.324 0.272 20 0 BCADHN CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCCN(C)C1 ZINC000335675450 136318060 /nfs/dbraw/zinc/31/80/60/136318060.db2.gz ANRYJVWTNNMPOG-RYUDHWBXSA-N 0 3 239.363 0.633 20 0 BCADHN COC[C@H](O)CN1C[C@@H](C)N(C)C[C@H]1C ZINC000348957928 136310443 /nfs/dbraw/zinc/31/04/43/136310443.db2.gz SACBOPQXJVMUDE-GMTAPVOTSA-N 0 3 216.325 0.018 20 0 BCADHN CC(C)[C@H](C)CNC(=O)CCOC1CNC1 ZINC000348959117 136310575 /nfs/dbraw/zinc/31/05/75/136310575.db2.gz WAWPHVLTVJPSLV-SNVBAGLBSA-N 0 3 228.336 0.773 20 0 BCADHN C[C@H]1CCN(C(=O)CCOC2CNC2)[C@H]1C ZINC000349012489 136311570 /nfs/dbraw/zinc/31/15/70/136311570.db2.gz ZQMOCSXBIZZOBO-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN CCN1[C@H](C)CN([C@@H](C)C(=O)OC)C[C@@H]1C ZINC000602873989 349805742 /nfs/dbraw/zinc/80/57/42/349805742.db2.gz LVFKGFIKPVJQSO-AXFHLTTASA-N 0 3 228.336 0.962 20 0 BCADHN COCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000335670252 136313144 /nfs/dbraw/zinc/31/31/44/136313144.db2.gz KKRMVADUFQNWHY-VHSXEESVSA-N 0 3 212.293 0.185 20 0 BCADHN O=C(CCOC1CNC1)NCc1ccncc1 ZINC000348997892 136314506 /nfs/dbraw/zinc/31/45/06/136314506.db2.gz ZPVFZLSOLCWSOG-UHFFFAOYSA-N 0 3 235.287 0.076 20 0 BCADHN O=C(CCOC1CNC1)Nc1ccccn1 ZINC000348997945 136314605 /nfs/dbraw/zinc/31/46/05/136314605.db2.gz ZXYDUQVZTMOANZ-UHFFFAOYSA-N 0 3 221.260 0.399 20 0 BCADHN Nc1ccoc1C(=O)N[C@H]1CNCCC1(F)F ZINC000335662200 136315461 /nfs/dbraw/zinc/31/54/61/136315461.db2.gz GLTZJYDFSAEQHV-ZETCQYMHSA-N 0 3 245.229 0.589 20 0 BCADHN CC[C@@H](SC)C(=O)N1CCCNCC1 ZINC000335664445 136315922 /nfs/dbraw/zinc/31/59/22/136315922.db2.gz WUEMIMQTKKYDAD-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN CCCCOCCNC(=O)CCOC1CNC1 ZINC000349006098 136315941 /nfs/dbraw/zinc/31/59/41/136315941.db2.gz SRHXJLFEDDHGGG-UHFFFAOYSA-N 0 3 244.335 0.298 20 0 BCADHN CC[C@@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000349004391 136316141 /nfs/dbraw/zinc/31/61/41/136316141.db2.gz RTKOEZTULKAMGT-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CSCCCCNC(=O)CCOC1CNC1 ZINC000349060083 136321411 /nfs/dbraw/zinc/32/14/11/136321411.db2.gz UAMKVPBQWTZSJY-UHFFFAOYSA-N 0 3 246.376 0.624 20 0 BCADHN Cc1ncc(NC(=O)CCOC2CNC2)cn1 ZINC000349059598 136321475 /nfs/dbraw/zinc/32/14/75/136321475.db2.gz SLALFBQNEXVQMZ-UHFFFAOYSA-N 0 3 236.275 0.102 20 0 BCADHN C[C@@H]1[C@H](C)N(Cc2c[nH]cn2)CCN1C ZINC000335680213 136323266 /nfs/dbraw/zinc/32/32/66/136323266.db2.gz FDKVCJOYIDMNOE-ZJUUUORDSA-N 0 3 208.309 0.934 20 0 BCADHN C[C@@H]1[C@H](C)N(Cc2cnc[nH]2)CCN1C ZINC000335680213 136323267 /nfs/dbraw/zinc/32/32/67/136323267.db2.gz FDKVCJOYIDMNOE-ZJUUUORDSA-N 0 3 208.309 0.934 20 0 BCADHN CS(=O)(=O)N[C@@H]1CCN(CC2CCC2)C1 ZINC000335687217 136323832 /nfs/dbraw/zinc/32/38/32/136323832.db2.gz UKWGEYZCKUHJED-SNVBAGLBSA-N 0 3 232.349 0.410 20 0 BCADHN CC[C@@H](C(=O)N1CCOC(C)(C)C1)N(C)C ZINC000132017037 343398016 /nfs/dbraw/zinc/39/80/16/343398016.db2.gz ZCJQTAKXDADFNG-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000040430937 343403096 /nfs/dbraw/zinc/40/30/96/343403096.db2.gz XFYBZUXCROCCGL-ZYHUDNBSSA-N 0 3 235.331 0.753 20 0 BCADHN CC[C@H](NC(=O)[C@@H]1C[C@@H]1N)[C@H]1CCCO1 ZINC000569983911 323046261 /nfs/dbraw/zinc/04/62/61/323046261.db2.gz HEQYTRVZWPSCFS-XFWSIPNHSA-N 0 3 212.293 0.407 20 0 BCADHN CCC[C@H](N)C(=O)Nc1cccc(C(N)=O)c1 ZINC000040854385 343409785 /nfs/dbraw/zinc/40/97/85/343409785.db2.gz BBLSQSGRDCLZTO-JTQLQIEISA-N 0 3 235.287 0.851 20 0 BCADHN COC(=O)CCCNC(=O)[C@H](N)CC(C)C ZINC000040832122 343410204 /nfs/dbraw/zinc/41/02/04/343410204.db2.gz NOWFKTXSKGRGRG-SECBINFHSA-N 0 3 230.308 0.429 20 0 BCADHN CCO[C@@H](CN(C)CCOCCO)C1CC1 ZINC000625400508 343410833 /nfs/dbraw/zinc/41/08/33/343410833.db2.gz MBNAYFCMZCZMRN-LBPRGKRZSA-N 0 3 231.336 0.742 20 0 BCADHN CCOC(=O)CCCNC(=O)[C@@H](N)CC ZINC000081548431 343417800 /nfs/dbraw/zinc/41/78/00/343417800.db2.gz KHIQKXHUUILEJT-QMMMGPOBSA-N 0 3 216.281 0.183 20 0 BCADHN C[C@@H]1COC[C@H](C)N1C(=O)CCOC1CNC1 ZINC000349060669 136321270 /nfs/dbraw/zinc/32/12/70/136321270.db2.gz VLWKTSRMOYSFAQ-AOOOYVTPSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@@H]1C[C@@H]1Cn1cc(Cn2cc(CN)cn2)nn1 ZINC000641084300 362206013 /nfs/dbraw/zinc/20/60/13/362206013.db2.gz YMVYRCQFKVBKLT-MWLCHTKSSA-N 0 3 246.318 0.638 20 0 BCADHN CC[C@@H](N)c1cn([C@@H]2CCCN(C)C2=O)nn1 ZINC000641085178 362208561 /nfs/dbraw/zinc/20/85/61/362208561.db2.gz CFTLLVTXZNEDQI-PSASIEDQSA-N 0 3 237.307 0.481 20 0 BCADHN CN1CC[C@@]2(CCN(S(=O)(=O)C3CC3)C2)C1 ZINC000335734855 136350277 /nfs/dbraw/zinc/35/02/77/136350277.db2.gz ZTUFUAJVPVFFTL-LLVKDONJSA-N 0 3 244.360 0.506 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCC2(CCO2)CC1 ZINC000367102368 136353330 /nfs/dbraw/zinc/35/33/30/136353330.db2.gz VWEYOTMTIDIGQF-JTQLQIEISA-N 0 3 238.331 0.908 20 0 BCADHN C[C@H]1CC[C@H](N(C)CC(=O)NC(N)=O)C1 ZINC000335816968 136352663 /nfs/dbraw/zinc/35/26/63/136352663.db2.gz AQBWVAPWOFREJR-YUMQZZPRSA-N 0 3 213.281 0.302 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000335684096 136329604 /nfs/dbraw/zinc/32/96/04/136329604.db2.gz FIUAAXLBYDEPBG-DGCLKSJQSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)OCC[C@H](O)CN1CCN(C)C[C@@H]1C ZINC000349188587 136331186 /nfs/dbraw/zinc/33/11/86/136331186.db2.gz BOBXTOLHSVWJJB-STQMWFEESA-N 0 3 244.379 0.798 20 0 BCADHN COCC[C@@H](C)n1cc(C[C@@H](N)COC)nn1 ZINC000641086523 362215016 /nfs/dbraw/zinc/21/50/16/362215016.db2.gz NYHBMYTYGNNZJX-NXEZZACHSA-N 0 3 242.323 0.392 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)[C@@]2(O)CCSC2)C1 ZINC000335704047 136335333 /nfs/dbraw/zinc/33/53/33/136335333.db2.gz NQAMOIHUYQQJCN-MWLCHTKSSA-N 0 3 244.360 0.017 20 0 BCADHN CC[C@H](COC)N[C@H](C)CS(C)(=O)=O ZINC000081901295 343434077 /nfs/dbraw/zinc/43/40/77/343434077.db2.gz QSIFFXMHDZXHSX-RKDXNWHRSA-N 0 3 223.338 0.434 20 0 BCADHN COCCN(C)CCNC(=O)C1=CCCC1 ZINC000349321912 136341496 /nfs/dbraw/zinc/34/14/96/136341496.db2.gz KVWGFZOBUFKOBR-UHFFFAOYSA-N 0 3 226.320 0.791 20 0 BCADHN CN1CCC(CC(=O)NC2(CCO)CC2)CC1 ZINC000349332807 136342164 /nfs/dbraw/zinc/34/21/64/136342164.db2.gz RRBRTILZRFKIHU-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@@H]1CN(C)CCN1C[C@@H](O)COC(C)(C)C ZINC000349346752 136342548 /nfs/dbraw/zinc/34/25/48/136342548.db2.gz MISWESDGDIOCDL-VXGBXAGGSA-N 0 3 244.379 0.798 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2n[nH]c(CC)n2)nn1 ZINC000641157952 362242673 /nfs/dbraw/zinc/24/26/73/362242673.db2.gz COIJKJWCTBMOPT-MRVPVSSYSA-N 0 3 249.322 0.807 20 0 BCADHN COCCNCC(=O)N1CCCOC(C)(C)C1 ZINC000378208156 136356991 /nfs/dbraw/zinc/35/69/91/136356991.db2.gz MSLHWANMYPKLJL-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)[C@@H]1CCSC1 ZINC000135019042 343449751 /nfs/dbraw/zinc/44/97/51/343449751.db2.gz ADVCUOFUFFQGOP-NXEZZACHSA-N 0 3 247.360 0.738 20 0 BCADHN Cn1nccc1CN1CC[C@H](O)C1(C)C ZINC000335897430 136359625 /nfs/dbraw/zinc/35/96/25/136359625.db2.gz KGFNCEUKDYLNAI-JTQLQIEISA-N 0 3 209.293 0.765 20 0 BCADHN CCc1nc(Cn2cc(CCN(C)C)nn2)n[nH]1 ZINC000641158758 362244218 /nfs/dbraw/zinc/24/42/18/362244218.db2.gz VCJMVUDZGRTLAL-UHFFFAOYSA-N 0 3 249.322 0.111 20 0 BCADHN CCCN(CCO)C[C@@H](O)CC(=O)OCC ZINC000135022994 343450594 /nfs/dbraw/zinc/45/05/94/343450594.db2.gz YKDYJIKWIFSJDW-JTQLQIEISA-N 0 3 233.308 0.005 20 0 BCADHN C[C@@H](Cc1cnn(C)c1)NCc1cnn(C)c1 ZINC000350484091 136361628 /nfs/dbraw/zinc/36/16/28/136361628.db2.gz WBVDFDSIHXMOGV-JTQLQIEISA-N 0 3 233.319 0.874 20 0 BCADHN O[C@@H](CN[C@H]1CCCOC1)C(F)(F)F ZINC000082681186 343460032 /nfs/dbraw/zinc/46/00/32/343460032.db2.gz FWKYTLAJVMSPEO-BQBZGAKWSA-N 0 3 213.199 0.678 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@@H](C)[C@@H](C)OC ZINC000191705587 136363615 /nfs/dbraw/zinc/36/36/15/136363615.db2.gz LGVSAHINKWALPH-LPEHRKFASA-N 0 3 216.325 0.914 20 0 BCADHN COCC[C@@H](C)N[C@H]1CCCS(=O)(=O)C1 ZINC000082681698 343460083 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XIPKZUIKUQYDPQ-QMMMGPOBSA-N 0 3 213.306 0.539 20 0 BCADHN CC(C)CCS(=O)(=O)N[C@H]1CCCNC1 ZINC000082628982 343457720 /nfs/dbraw/zinc/45/77/20/343457720.db2.gz YKXUSPYNABQPOM-JTQLQIEISA-N 0 3 234.365 0.704 20 0 BCADHN COC[C@@H](C)NC[C@H](O)C(F)(F)F ZINC000082680563 343459968 /nfs/dbraw/zinc/45/99/68/343459968.db2.gz HTRXFWCWMCAXAG-RITPCOANSA-N 0 3 201.188 0.534 20 0 BCADHN CC(C)OC1CC(N[C@@]2(CO)CCOC2)C1 ZINC000189574919 136372111 /nfs/dbraw/zinc/37/21/11/136372111.db2.gz QRDDPPIRUAOXKM-HTAVTVPLSA-N 0 3 229.320 0.683 20 0 BCADHN CCN(C)C(=O)CN[C@H](C)Cn1cccn1 ZINC000042539965 343442586 /nfs/dbraw/zinc/44/25/86/343442586.db2.gz SUZHAGUGEQFNRP-SNVBAGLBSA-N 0 3 224.308 0.340 20 0 BCADHN C[C@@H](Cn1cccn1)N[C@H]1CCCCNC1=O ZINC000042540503 343442602 /nfs/dbraw/zinc/44/26/02/343442602.db2.gz GQECWIPKCRHARI-QWRGUYRKSA-N 0 3 236.319 0.530 20 0 BCADHN CC[C@@H](N)c1cn(Cc2cn(C)nc2C)nn1 ZINC000641141486 362235730 /nfs/dbraw/zinc/23/57/30/362235730.db2.gz MGUATNHHLLRPKQ-SNVBAGLBSA-N 0 3 234.307 0.778 20 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ZINC000083118418 343473646 /nfs/dbraw/zinc/47/36/46/343473646.db2.gz NWNYWGSKNFXENY-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN CNC(=O)CCCNCc1cnc(C)n1C ZINC000570060856 323048901 /nfs/dbraw/zinc/04/89/01/323048901.db2.gz UWEMRBMKDSUEIY-UHFFFAOYSA-N 0 3 224.308 0.344 20 0 BCADHN C[C@@H](N)C(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000157705622 133490874 /nfs/dbraw/zinc/49/08/74/133490874.db2.gz UZZNKSVZKPPPLR-CSMHCCOUSA-N 0 3 202.323 0.686 20 0 BCADHN CC[C@](C)(O)CN[C@@H](C)CS(C)(=O)=O ZINC000083463245 343486232 /nfs/dbraw/zinc/48/62/32/343486232.db2.gz LDXJOBJAVZVURJ-IUCAKERBSA-N 0 3 223.338 0.170 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)CCCOC ZINC000135029164 343493577 /nfs/dbraw/zinc/49/35/77/343493577.db2.gz UCJMRVAHVAKIBS-JTQLQIEISA-N 0 3 233.308 0.269 20 0 BCADHN CCCN(C(=O)c1ncc[nH]1)[C@@H]1CCN(C)C1 ZINC000616468427 343462865 /nfs/dbraw/zinc/46/28/65/343462865.db2.gz YKFQOMPNORDJTA-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN C[C@@H](CNC(=O)Cc1cscn1)N(C)C ZINC000616488158 343469965 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DJIDBCBCDRTNHJ-VIFPVBQESA-N 0 3 233.308 0.003 20 0 BCADHN CN(C[C@@H]1CCCCO1)C(=O)C1(N)CC1 ZINC000083835464 343503768 /nfs/dbraw/zinc/50/37/68/343503768.db2.gz VDZIEZDBSDZQHD-VIFPVBQESA-N 0 3 212.293 0.505 20 0 BCADHN C[C@H](C(=O)NCC1(N(C)C)CC1)n1cncn1 ZINC000622721434 343574154 /nfs/dbraw/zinc/57/41/54/343574154.db2.gz QOOIHPJJUQZGIP-SECBINFHSA-N 0 3 237.307 0.050 20 0 BCADHN CC[C@@H](O)CC(=O)NCC1(N(C)C)CC1 ZINC000622721620 343574406 /nfs/dbraw/zinc/57/44/06/343574406.db2.gz ZURJIYYSBDKMJO-SECBINFHSA-N 0 3 214.309 0.358 20 0 BCADHN CN(C)C1(CNC(=O)CCn2cccn2)CC1 ZINC000622721431 343574581 /nfs/dbraw/zinc/57/45/81/343574581.db2.gz QMJRZNKUPCIZML-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN CCOCCN(C)C[C@H](O)CC(=O)OCC ZINC000135033509 343556600 /nfs/dbraw/zinc/55/66/00/343556600.db2.gz AIFKOYDCBUXQTI-SNVBAGLBSA-N 0 3 233.308 0.269 20 0 BCADHN COC[C@@H](O)CN1CCS[C@@H](C)[C@@H]1C ZINC000124468131 343559781 /nfs/dbraw/zinc/55/97/81/343559781.db2.gz KBCPKPYDPRZBAB-GUBZILKMSA-N 0 3 219.350 0.820 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCCN1C ZINC000622727919 343577995 /nfs/dbraw/zinc/57/79/95/343577995.db2.gz KIVXXCWQSPYJLG-GXSJLCMTSA-N 0 3 241.335 0.064 20 0 BCADHN CCN(C#N)CCN1CC[C@H]2COC[C@@H]2C1 ZINC000602902248 349816421 /nfs/dbraw/zinc/81/64/21/349816421.db2.gz HUPAKXWXLPXXBR-RYUDHWBXSA-N 0 3 223.320 0.758 20 0 BCADHN C[C@H](N[C@@H]1CCOC[C@H]1O)c1ccccn1 ZINC000624236976 343583627 /nfs/dbraw/zinc/58/36/27/343583627.db2.gz NLQJKUJMZDBQFV-MVWJERBFSA-N 0 3 222.288 0.882 20 0 BCADHN C[C@H](CCNCc1cn[nH]c1)[S@](C)=O ZINC000379617216 343585602 /nfs/dbraw/zinc/58/56/02/343585602.db2.gz AGAYZFNVWYYXAO-CLAHSXSESA-N 0 3 215.322 0.656 20 0 BCADHN CC(C)[C@@H]1N(c2nc(N)nc(N)n2)CC12CCC2 ZINC000624238596 343585821 /nfs/dbraw/zinc/58/58/21/343585821.db2.gz USPKUSMLYFLYQU-QMMMGPOBSA-N 0 3 248.334 0.712 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)c1nccnc1N ZINC000622729052 343580245 /nfs/dbraw/zinc/58/02/45/343580245.db2.gz QKBOZXUIWDZVSX-SECBINFHSA-N 0 3 249.318 0.225 20 0 BCADHN Cc1cc(C(=O)N(C)CC2CN(C)C2)[nH]n1 ZINC000618194509 343614906 /nfs/dbraw/zinc/61/49/06/343614906.db2.gz AROAQPRSFQZARV-UHFFFAOYSA-N 0 3 222.292 0.352 20 0 BCADHN Cc1cc(C(=O)N(C)CC2CN(C)C2)n[nH]1 ZINC000618194509 343614908 /nfs/dbraw/zinc/61/49/08/343614908.db2.gz AROAQPRSFQZARV-UHFFFAOYSA-N 0 3 222.292 0.352 20 0 BCADHN C[C@H](CNCCOC1CCCC1)S(C)(=O)=O ZINC000584108237 343597957 /nfs/dbraw/zinc/59/79/57/343597957.db2.gz SLXPXKPHBYEAFE-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN C[C@@H](CNCCOC1CCCC1)S(C)(=O)=O ZINC000584108236 343598052 /nfs/dbraw/zinc/59/80/52/343598052.db2.gz SLXPXKPHBYEAFE-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN CS[C@@H](C)C(=O)NC[C@@H](C)N(C)C ZINC000047856607 343606023 /nfs/dbraw/zinc/60/60/23/343606023.db2.gz AGTWSAIJHDMDGB-SFYZADRCSA-N 0 3 204.339 0.804 20 0 BCADHN COC(=O)CCN1CCCC[C@@H]1CC(=O)OC ZINC000050053298 343608099 /nfs/dbraw/zinc/60/80/99/343608099.db2.gz GAHUYNRDBLWUKC-SNVBAGLBSA-N 0 3 243.303 0.967 20 0 BCADHN CC[C@@H](C)NC(=O)CN[C@H](CO)C(C)C ZINC000086124756 343611647 /nfs/dbraw/zinc/61/16/47/343611647.db2.gz PSWPUSBRAZHWJJ-NXEZZACHSA-N 0 3 216.325 0.508 20 0 BCADHN CCN(CC)C(=O)CN[C@@H](CO)C(C)C ZINC000086124114 343611698 /nfs/dbraw/zinc/61/16/98/343611698.db2.gz JWMXEOHPBZFPIC-JTQLQIEISA-N 0 3 216.325 0.461 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](CC)[C@H]1CCCO1 ZINC000152922654 343612148 /nfs/dbraw/zinc/61/21/48/343612148.db2.gz NAHWCPIYKSOLOR-OPRDCNLKSA-N 0 3 214.309 0.798 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](CC)[C@@H]1CCCO1 ZINC000152922347 343612189 /nfs/dbraw/zinc/61/21/89/343612189.db2.gz NAHWCPIYKSOLOR-UTLUCORTSA-N 0 3 214.309 0.798 20 0 BCADHN CCc1nn(C)cc1NC(=O)[C@H](N)CC ZINC000152949921 343612231 /nfs/dbraw/zinc/61/22/31/343612231.db2.gz JWTDRVWMRZEUHG-SSDOTTSWSA-N 0 3 210.281 0.658 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)CNCCOC ZINC000086158149 343612652 /nfs/dbraw/zinc/61/26/52/343612652.db2.gz CQZRSHAYZFWAAB-UWVGGRQHSA-N 0 3 216.325 0.773 20 0 BCADHN COCCNCC(=O)N(C)CC(C)(C)C ZINC000086158186 343612777 /nfs/dbraw/zinc/61/27/77/343612777.db2.gz YRPLQJLCPQTTDU-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN COCCNCC(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000086158445 343612885 /nfs/dbraw/zinc/61/28/85/343612885.db2.gz LUSFJACVFLVKKO-NXEZZACHSA-N 0 3 214.309 0.337 20 0 BCADHN CC[C@@H](N)c1cn(Cc2cccnc2N)nn1 ZINC000641165331 362248365 /nfs/dbraw/zinc/24/83/65/362248365.db2.gz BJWHRGPIKKRMRU-SECBINFHSA-N 0 3 232.291 0.713 20 0 BCADHN O=C(CN[C@H]1CCOC1)NCC(F)(F)F ZINC000087415961 343648834 /nfs/dbraw/zinc/64/88/34/343648834.db2.gz YJIGXOMVUURYGA-LURJTMIESA-N 0 3 226.198 0.043 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](CC)CCO ZINC000087369882 343645339 /nfs/dbraw/zinc/64/53/39/343645339.db2.gz OSPJZHZMPATVOJ-IUCAKERBSA-N 0 3 202.298 0.249 20 0 BCADHN COC(=O)[C@@]1(C)CN([C@@H]2CCNC2=O)C[C@@H]1C ZINC000602930401 349822813 /nfs/dbraw/zinc/82/28/13/349822813.db2.gz DFDMHETWCVEYDR-SBMIAAHKSA-N 0 3 240.303 0.006 20 0 BCADHN O=C1[N-]C(=O)[C@]2(CCC[N@H+](CC3CCC3)C2)N1 ZINC000192678859 365789421 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/nfs/dbraw/zinc/65/60/41/343656041.db2.gz ASWKFIRMDCKGQS-NSHDSACASA-N 0 3 231.303 0.666 20 0 BCADHN CC1(C)CN(C(=O)C2(N)CCC2)CCO1 ZINC000088050430 343698308 /nfs/dbraw/zinc/69/83/08/343698308.db2.gz ASCWVWOOXYAJDV-UHFFFAOYSA-N 0 3 212.293 0.505 20 0 BCADHN CN1CC[C@](O)(CNC(=O)OCC2CC2)C1 ZINC000496612063 529809654 /nfs/dbraw/zinc/80/96/54/529809654.db2.gz ZXORQDBDEPEBQE-NSHDSACASA-N 0 3 228.292 0.189 20 0 BCADHN CC[C@H](N)C(=O)NCCOC1CCCC1 ZINC000082627807 133504112 /nfs/dbraw/zinc/50/41/12/133504112.db2.gz CWKSPZGUNPPMNA-JTQLQIEISA-N 0 3 214.309 0.799 20 0 BCADHN CS[C@H](C)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000261533605 349849897 /nfs/dbraw/zinc/84/98/97/349849897.db2.gz LCGMKVZBILFYRT-IWSPIJDZSA-N 0 3 216.350 0.947 20 0 BCADHN O=C1C[C@@H](NCC2=CCCOC2)CN1C1CC1 ZINC000127705075 343742806 /nfs/dbraw/zinc/74/28/06/343742806.db2.gz XLEXTYNVAULHSG-LLVKDONJSA-N 0 3 236.315 0.686 20 0 BCADHN CN1C[C@H](CN2CCC(CCO)CC2)OC1=O ZINC000495656204 529825095 /nfs/dbraw/zinc/82/50/95/529825095.db2.gz YBTSTXWLWAXGGG-LLVKDONJSA-N 0 3 242.319 0.531 20 0 BCADHN CN1C[C@H](CN2CCC[C@](C)(O)CC2)OC1=O ZINC000496715929 529825486 /nfs/dbraw/zinc/82/54/86/529825486.db2.gz DOHINJIYOZDVOT-PWSUYJOCSA-N 0 3 242.319 0.674 20 0 BCADHN CN1C[C@H](CN2CCN(C)CC2(C)C)OC1=O ZINC000495724962 529825600 /nfs/dbraw/zinc/82/56/00/529825600.db2.gz DAFQFWBVWBTHIJ-SNVBAGLBSA-N 0 3 241.335 0.463 20 0 BCADHN CN1C[C@H](CN2C[C@@H]3CC[C@H](O)[C@H]3C2)OC1=O ZINC000496956067 529825980 /nfs/dbraw/zinc/82/59/80/529825980.db2.gz NHRNYRNNAVDZLB-VLEAKVRGSA-N 0 3 240.303 0.140 20 0 BCADHN CN1C[C@H](CN[C@@H]2C[C@H](O)C2(C)C)OC1=O ZINC000496600251 529826190 /nfs/dbraw/zinc/82/61/90/529826190.db2.gz NNVMQAPGDIXQEE-YIZRAAEISA-N 0 3 228.292 0.186 20 0 BCADHN CC[C@H](N)C(=O)N[C@](C)(C(=O)OC)C1CC1 ZINC000154347572 343714743 /nfs/dbraw/zinc/71/47/43/343714743.db2.gz MSDXHFPSIVUDAN-KWQFWETISA-N 0 3 228.292 0.182 20 0 BCADHN C[C@@H](NCCN1CC[C@H](O)C1)c1cnn(C)c1 ZINC000624332926 343716627 /nfs/dbraw/zinc/71/66/27/343716627.db2.gz CVABRTMPMZACAI-PWSUYJOCSA-N 0 3 238.335 0.137 20 0 BCADHN CC[C@@H](N[C@H](C)CS(C)(=O)=O)C(C)(C)O ZINC000340504598 343718190 /nfs/dbraw/zinc/71/81/90/343718190.db2.gz QBCJCHCUPCLQOV-RKDXNWHRSA-N 0 3 237.365 0.559 20 0 BCADHN CCOCCN1CC[C@H](C(=O)OC)C1 ZINC000088300505 343719565 /nfs/dbraw/zinc/71/95/65/343719565.db2.gz LHEDNVXIDJCNDG-VIFPVBQESA-N 0 3 201.266 0.518 20 0 BCADHN CCS(=O)(=O)NC[C@@H]1CCCCN(C)C1 ZINC000625421296 343723026 /nfs/dbraw/zinc/72/30/26/343723026.db2.gz LALVFVNFQBEZEQ-JTQLQIEISA-N 0 3 234.365 0.658 20 0 BCADHN CN(CCc1cn(C)nn1)[C@@H]1CCCOC1 ZINC000625422706 343724995 /nfs/dbraw/zinc/72/49/95/343724995.db2.gz SPAMKGBWMOQVRA-LLVKDONJSA-N 0 3 224.308 0.468 20 0 BCADHN CN1CCC[C@H](NC(=O)NCC2(C)COC2)C1 ZINC000602992143 349847250 /nfs/dbraw/zinc/84/72/50/349847250.db2.gz WCARNFFVZMPMAU-JTQLQIEISA-N 0 3 241.335 0.416 20 0 BCADHN COCCN1CC[C@H](N[C@H](C)c2ncc[nH]2)C1 ZINC000285930860 537807720 /nfs/dbraw/zinc/80/77/20/537807720.db2.gz FEVQYLNZSDDIEH-MNOVXSKESA-N 0 3 238.335 0.781 20 0 BCADHN CO[C@H]1CCCC[C@@H]1NC(=O)CNC1CC1 ZINC000584167571 343767841 /nfs/dbraw/zinc/76/78/41/343767841.db2.gz VUQNWAAZEXBOGG-QWRGUYRKSA-N 0 3 226.320 0.812 20 0 BCADHN COCCN(C)CCNC(=O)C1(CF)CCC1 ZINC000584174630 343769205 /nfs/dbraw/zinc/76/92/05/343769205.db2.gz RPRVIHWDJACOJX-UHFFFAOYSA-N 0 3 246.326 0.821 20 0 BCADHN CCN(CCc1cn(C)nn1)[C@H]1CCOC1 ZINC000625445580 343767144 /nfs/dbraw/zinc/76/71/44/343767144.db2.gz YJUVPXFXOWIJDG-NSHDSACASA-N 0 3 224.308 0.468 20 0 BCADHN C[C@H]1CCN(Cc2ccnc(N)c2)C[C@H]1O ZINC000299911519 349866998 /nfs/dbraw/zinc/86/69/98/349866998.db2.gz NBLXNMJYCZJIEV-GXSJLCMTSA-N 0 3 221.304 0.867 20 0 BCADHN COC(=O)CCN(CCCO)C[C@@H]1CCCO1 ZINC000096593175 343796654 /nfs/dbraw/zinc/79/66/54/343796654.db2.gz PSPKOXCIOTYEFK-NSHDSACASA-N 0 3 245.319 0.413 20 0 BCADHN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)CNC)C1 ZINC000262656397 349861329 /nfs/dbraw/zinc/86/13/29/349861329.db2.gz YXEWIYHFLIKPTN-PUTJDCORSA-N 0 3 246.376 0.402 20 0 BCADHN CC[C@H](N[C@H]1CSC[C@@H]1C)C(N)=O ZINC000336655147 537820766 /nfs/dbraw/zinc/82/07/66/537820766.db2.gz OLEIDRFBRYNWJQ-FXQIFTODSA-N 0 3 202.323 0.591 20 0 BCADHN CC(C)NC(=O)CN(C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000187944059 259371131 /nfs/dbraw/zinc/37/11/31/259371131.db2.gz DZNYWLCLUZFXGO-YPMHNXCESA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)NC(=O)CN(C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187944083 259371249 /nfs/dbraw/zinc/37/12/49/259371249.db2.gz DZNYWLCLUZFXGO-AAEUAGOBSA-N 0 3 242.363 0.994 20 0 BCADHN CN(C[C@H](O)CC1(O)CCC1)CC(C)(C)CO ZINC000625451681 343827395 /nfs/dbraw/zinc/82/73/95/343827395.db2.gz DNUUNTWSRJTWJA-LLVKDONJSA-N 0 3 245.363 0.603 20 0 BCADHN Cn1nncc1Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000641170003 362251443 /nfs/dbraw/zinc/25/14/43/362251443.db2.gz VDCSFFRVJBJGQT-JTQLQIEISA-N 0 3 249.322 0.501 20 0 BCADHN CNC(=O)OC[C@@H]1CCCCN1CCCCO ZINC000495637847 529892286 /nfs/dbraw/zinc/89/22/86/529892286.db2.gz FLACXLLXUTVVFW-NSHDSACASA-N 0 3 244.335 0.969 20 0 BCADHN CCCC[C@@H](CN)NC(=O)C(=O)NCC1CC1 ZINC000418754320 192066622 /nfs/dbraw/zinc/06/66/22/192066622.db2.gz BLPCPQQYYWQNPN-JTQLQIEISA-N 0 3 241.335 0.146 20 0 BCADHN CCCCN(CC)C(=O)NC[C@H]1CNCCO1 ZINC000418778631 192067450 /nfs/dbraw/zinc/06/74/50/192067450.db2.gz ZZMYUPOOXVDKNK-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN CC[C@@H](O)CCN[C@H]1CCCS(=O)(=O)C1 ZINC000162312667 343882515 /nfs/dbraw/zinc/88/25/15/343882515.db2.gz PALVIRMEDULMSX-VHSXEESVSA-N 0 3 235.349 0.314 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1CCc1cn(C)nn1 ZINC000625457479 343859672 /nfs/dbraw/zinc/85/96/72/343859672.db2.gz MLNYHOOAGAEIAV-MWLCHTKSSA-N 0 3 224.308 0.203 20 0 BCADHN COCCN1CCN(C[C@@H](C)COC)CC1 ZINC000189603903 347000925 /nfs/dbraw/zinc/00/09/25/347000925.db2.gz CGWBSAIFUAIRTJ-GFCCVEGCSA-N 0 3 230.352 0.533 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C[C@H](O)CC1(O)CCC1 ZINC000625461502 343864106 /nfs/dbraw/zinc/86/41/06/343864106.db2.gz GCFGWKWZQGSUDI-GMTAPVOTSA-N 0 3 229.320 0.108 20 0 BCADHN CN(CCN1CCCC1)C[C@@H]1CN(C)C(=O)O1 ZINC000496512549 529908402 /nfs/dbraw/zinc/90/84/02/529908402.db2.gz LMLUUXDAZDFHCB-LLVKDONJSA-N 0 3 241.335 0.465 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000683914257 488243619 /nfs/dbraw/zinc/24/36/19/488243619.db2.gz UQMFTMLKHWVGLC-MDZLAQPJSA-N 0 3 240.347 0.558 20 0 BCADHN CCC[C@@H](C)N(C)C(=O)NC[C@H]1CNCCO1 ZINC000418769027 192067201 /nfs/dbraw/zinc/06/72/01/192067201.db2.gz PFCSGPIIHSOJMV-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@@H](C(=O)OC)n1cc(CCN(C)C)nn1 ZINC000603191089 349882347 /nfs/dbraw/zinc/88/23/47/349882347.db2.gz JCUHZDZZILPGKM-JTQLQIEISA-N 0 3 240.307 0.506 20 0 BCADHN CC(C)(F)CNC[C@@H](O)CN1CCOCC1 ZINC000634723438 343888021 /nfs/dbraw/zinc/88/80/21/343888021.db2.gz QVICFLSVLQOWCD-SNVBAGLBSA-N 0 3 234.315 0.017 20 0 BCADHN COCCOC[C@H](O)CNCC(C)(C)F ZINC000634723585 343891072 /nfs/dbraw/zinc/89/10/72/343891072.db2.gz YHDVZLARSILLKC-SECBINFHSA-N 0 3 223.288 0.348 20 0 BCADHN CN(CC[C@H]1CCCO1)C[C@H]1CN(C)C(=O)O1 ZINC000495662794 529932264 /nfs/dbraw/zinc/93/22/64/529932264.db2.gz WXONKKJNCSCACI-MNOVXSKESA-N 0 3 242.319 0.938 20 0 BCADHN CCO[C@H](CN[C@@H]1COC[C@H]1OC)C1CC1 ZINC000625507940 343898998 /nfs/dbraw/zinc/89/89/98/343898998.db2.gz RAOGDFALIQHTQE-IJLUTSLNSA-N 0 3 229.320 0.805 20 0 BCADHN C[C@@H](Cn1cncn1)NCc1cn[nH]c1 ZINC000393603894 343899540 /nfs/dbraw/zinc/89/95/40/343899540.db2.gz GYJNUDRQYJQBII-QMMMGPOBSA-N 0 3 206.253 0.180 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)NC[C@@](C)(O)CN(C)C ZINC000387685806 347013418 /nfs/dbraw/zinc/01/34/18/347013418.db2.gz TXWLTEKEHULQJM-CKYFFXLPSA-N 0 3 228.336 0.461 20 0 BCADHN CCCNC(=S)N[C@H]1CCCN(C)C1 ZINC000060431572 343937621 /nfs/dbraw/zinc/93/76/21/343937621.db2.gz PQTNVTIXIZULQT-VIFPVBQESA-N 0 3 215.366 0.955 20 0 BCADHN CC[C@H](O)CN1CCC(NC(C)=O)CC1 ZINC000157107138 343916099 /nfs/dbraw/zinc/91/60/99/343916099.db2.gz WYLHIMPDRBDEIA-NSHDSACASA-N 0 3 214.309 0.358 20 0 BCADHN CCC[C@@H](CCO)NC[C@H](C)S(C)(=O)=O ZINC000634723737 343920128 /nfs/dbraw/zinc/92/01/28/343920128.db2.gz BSXOCLHCAHLPFB-UWVGGRQHSA-N 0 3 237.365 0.560 20 0 BCADHN Cc1nc([C@@H](C)n2cc([C@@H](N)C(C)C)nn2)n[nH]1 ZINC000641177209 362254196 /nfs/dbraw/zinc/25/41/96/362254196.db2.gz CLEALGGLJHUWHN-XCBNKYQSSA-N 0 3 249.322 0.970 20 0 BCADHN CC[C@](C)(N)c1cn(CCc2cncn2C)nn1 ZINC000641176163 362254251 /nfs/dbraw/zinc/25/42/51/362254251.db2.gz WZJQBAZDXYINDJ-LBPRGKRZSA-N 0 3 248.334 0.838 20 0 BCADHN CC[C@H](N)c1cn(Cc2cncc(OC)n2)nn1 ZINC000641187053 362257105 /nfs/dbraw/zinc/25/71/05/362257105.db2.gz YZUQFNGDEMCVND-VIFPVBQESA-N 0 3 248.290 0.535 20 0 BCADHN CNC(=O)c1cccnc1NCCN(C)C ZINC000090998158 343947804 /nfs/dbraw/zinc/94/78/04/343947804.db2.gz JUMYBOUWTVBUCN-UHFFFAOYSA-N 0 3 222.292 0.415 20 0 BCADHN Cn1cc(CCN2C[C@@H]3COC[C@]3(C)C2)nn1 ZINC000625538704 343925216 /nfs/dbraw/zinc/92/52/16/343925216.db2.gz NUMHLMBTNXYFEC-PWSUYJOCSA-N 0 3 236.319 0.326 20 0 BCADHN CCN(C)C[C@H](O)CN1CCC(=O)[C@H](C)C1 ZINC000381069085 343931338 /nfs/dbraw/zinc/93/13/38/343931338.db2.gz NQKRHHCPIGSRMA-MNOVXSKESA-N 0 3 228.336 0.210 20 0 BCADHN C[C@H](O)CN1CCC(N2CCOCC2)CC1 ZINC000625544299 343931597 /nfs/dbraw/zinc/93/15/97/343931597.db2.gz NWIOPEIHFYSQQI-NSHDSACASA-N 0 3 228.336 0.164 20 0 BCADHN C[C@@H](CN1CCCC1=O)NCc1cn[nH]c1 ZINC000309583930 343933181 /nfs/dbraw/zinc/93/31/81/343933181.db2.gz REQPMGZKPLQQAJ-VIFPVBQESA-N 0 3 222.292 0.510 20 0 BCADHN CCOc1cncc(NCCN(C)C)n1 ZINC000090998100 343947894 /nfs/dbraw/zinc/94/78/94/343947894.db2.gz UNFYFGBEDQFVML-UHFFFAOYSA-N 0 3 210.281 0.849 20 0 BCADHN Cc1ncc(CN2CC[C@H](C(N)=O)C2)o1 ZINC000628118972 343970134 /nfs/dbraw/zinc/97/01/34/343970134.db2.gz TWWJJEALAAAMFY-QMMMGPOBSA-N 0 3 209.249 0.290 20 0 BCADHN CN(C)CCc1cn([C@H]2CCCC[C@H]2O)nn1 ZINC000641209039 362270448 /nfs/dbraw/zinc/27/04/48/362270448.db2.gz RBUPRAPZRFFTJS-NWDGAFQWSA-N 0 3 238.335 0.858 20 0 BCADHN CNCC(=O)Nc1cccc(-c2cn(C)nn2)c1 ZINC000092022753 343951024 /nfs/dbraw/zinc/95/10/24/343951024.db2.gz WMPBHMRPULXTPZ-UHFFFAOYSA-N 0 3 245.286 0.640 20 0 BCADHN CC[C@@H](N)c1cn(C[C@@]2(O)CCCOC2)nn1 ZINC000641217848 362277611 /nfs/dbraw/zinc/27/76/11/362277611.db2.gz QDXFNFOFEXPTEH-KOLCDFICSA-N 0 3 240.307 0.229 20 0 BCADHN CCOCC(=O)N(C)C[C@@H]1CCCN1C ZINC000092677265 343961237 /nfs/dbraw/zinc/96/12/37/343961237.db2.gz BZPHSXLWGKRAEJ-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CO[C@@H](CN1C[C@H](O)[C@@H](O)C1)C1CCCCC1 ZINC000625713475 344051593 /nfs/dbraw/zinc/05/15/93/344051593.db2.gz FXRLNDOYZMJUBB-AVGNSLFASA-N 0 3 243.347 0.619 20 0 BCADHN C[C@H]1CC[C@](CO)(N(C)CC(=O)NC2CC2)C1 ZINC000187958679 259372403 /nfs/dbraw/zinc/37/24/03/259372403.db2.gz YKHKIIXZAUPVMS-GWCFXTLKSA-N 0 3 240.347 0.748 20 0 BCADHN COc1ccccc1CNC(=O)[C@@H](C)N ZINC000019504734 347022634 /nfs/dbraw/zinc/02/26/34/347022634.db2.gz PJYXOQINYZFRPR-MRVPVSSYSA-N 0 3 208.261 0.659 20 0 BCADHN CO[C@H](CN)C(=O)NCCCC(C)(C)C ZINC000313465832 344064331 /nfs/dbraw/zinc/06/43/31/344064331.db2.gz DOVVLYBZGARUFA-SECBINFHSA-N 0 3 216.325 0.903 20 0 BCADHN COC[C@H](C)CNC(=O)N[C@H]1CCCN(C)C1 ZINC000620397204 344073047 /nfs/dbraw/zinc/07/30/47/344073047.db2.gz DVVLYONJDWFSGA-MNOVXSKESA-N 0 3 243.351 0.662 20 0 BCADHN CC[C@@H](N)C(=O)NCCCOC[C@@H]1CCOC1 ZINC000130011460 344103036 /nfs/dbraw/zinc/10/30/36/344103036.db2.gz BFQVRJACCYSMLZ-WDEREUQCSA-N 0 3 244.335 0.283 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000130032501 344104273 /nfs/dbraw/zinc/10/42/73/344104273.db2.gz SNBRLCANBHUBIH-JFGNBEQYSA-N 0 3 228.336 0.781 20 0 BCADHN CN1CCC(Nc2cc(C(N)=O)ncn2)CC1 ZINC000641264791 362338456 /nfs/dbraw/zinc/33/84/56/362338456.db2.gz RINQKZFSUUJJOL-UHFFFAOYSA-N 0 3 235.291 0.082 20 0 BCADHN CCN1CCC(Nc2cc(C(N)=O)ncn2)CC1 ZINC000641267208 362338558 /nfs/dbraw/zinc/33/85/58/362338558.db2.gz QZQBMGKQXOMJPF-UHFFFAOYSA-N 0 3 249.318 0.472 20 0 BCADHN C[C@H](N[C@H]1CCCOC1)C1(S(C)(=O)=O)CC1 ZINC000336749600 537840269 /nfs/dbraw/zinc/84/02/69/537840269.db2.gz UGIMBGURHMBFPY-UWVGGRQHSA-N 0 3 247.360 0.721 20 0 BCADHN CCNC(=O)NC(=O)CN1CCCC[C@@H](C)C1 ZINC000187973650 259372617 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/nfs/dbraw/zinc/95/72/86/529957286.db2.gz PCYVKPKQZFEQAU-GMTAPVOTSA-N 0 3 242.319 0.530 20 0 BCADHN CN1CC[C@H]2OCCN(CC(F)(F)F)[C@H]2C1 ZINC000335917223 344086381 /nfs/dbraw/zinc/08/63/81/344086381.db2.gz HDMIHTFYXGJLCG-DTWKUNHWSA-N 0 3 238.253 0.954 20 0 BCADHN COC(=O)c1ccnc(NCCN(C)C)c1 ZINC000220188616 344088845 /nfs/dbraw/zinc/08/88/45/344088845.db2.gz GRLICZYULFQZTB-UHFFFAOYSA-N 0 3 223.276 0.842 20 0 BCADHN CC(C)[C@H](O)CN(C)[C@H]1CCCCN(C)C1=O ZINC000634744042 344164863 /nfs/dbraw/zinc/16/48/63/344164863.db2.gz MAUGTRWNUIJJSW-NWDGAFQWSA-N 0 3 242.363 0.946 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@H]1CCCCO1 ZINC000249749040 362362409 /nfs/dbraw/zinc/36/24/09/362362409.db2.gz PLIVJBQINMKWRU-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN c1nn2c(c1CN1C[C@@H]3COC[C@@H]3C1)CCC2 ZINC000634744995 344166505 /nfs/dbraw/zinc/16/65/05/344166505.db2.gz RUOTVUPYKDSTTF-TXEJJXNPSA-N 0 3 233.315 0.908 20 0 BCADHN COc1cc(CNC(=O)[C@@H](C)N)ccc1O ZINC000157169468 344171121 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/nfs/dbraw/zinc/58/27/50/345582750.db2.gz GIYADVDLHLJXQO-UHFFFAOYSA-N 0 3 236.319 0.636 20 0 BCADHN CCN1CCC(NC(=O)N(C)C[C@@H](C)O)CC1 ZINC000091205827 345585994 /nfs/dbraw/zinc/58/59/94/345585994.db2.gz XRDYYQOHDWEZME-SNVBAGLBSA-N 0 3 243.351 0.493 20 0 BCADHN CC[C@@H](O)CN(C)C1(C(N)=O)CCCC1 ZINC000093214148 345658803 /nfs/dbraw/zinc/65/88/03/345658803.db2.gz QIZVUUYVPZOIOB-SECBINFHSA-N 0 3 214.309 0.487 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccn(C(F)F)n1 ZINC000678855507 488291367 /nfs/dbraw/zinc/29/13/67/488291367.db2.gz POIZRVAOYVDVIN-UHFFFAOYSA-N 0 3 246.261 0.912 20 0 BCADHN CC(C)NC(=O)CCNCc1ccncc1N ZINC000641706866 362616096 /nfs/dbraw/zinc/61/60/96/362616096.db2.gz GFZYEFPAINMBJA-UHFFFAOYSA-N 0 3 236.319 0.668 20 0 BCADHN Nc1cnccc1CNC[C@H]1CCCO1 ZINC000641701999 362616235 /nfs/dbraw/zinc/61/62/35/362616235.db2.gz ZWNGHGZGROFXSS-SNVBAGLBSA-N 0 3 207.277 0.932 20 0 BCADHN C[C@@H](NC[C@H](O)CN(C)C)c1ccc(F)cn1 ZINC000092747266 345642235 /nfs/dbraw/zinc/64/22/35/345642235.db2.gz 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CAQMEXURJWDLHO-JTQLQIEISA-N 0 3 245.319 0.411 20 0 BCADHN Cc1[nH]nc2ncc(NC(=O)CNC3CC3)cc12 ZINC000182052424 345932901 /nfs/dbraw/zinc/93/29/01/345932901.db2.gz UISHBIJQCITLLZ-UHFFFAOYSA-N 0 3 245.286 0.957 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1C[C@@H](O)C1 ZINC000635678198 345974467 /nfs/dbraw/zinc/97/44/67/345974467.db2.gz ZGJKVPUBAHCQEA-PKZYVASSSA-N 0 3 238.331 0.356 20 0 BCADHN C[C@H](C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)N(C)C ZINC000635677451 345974613 /nfs/dbraw/zinc/97/46/13/345974613.db2.gz SKSUMVOXBFYTAB-HOSYDEDBSA-N 0 3 239.363 0.535 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H](C)N1 ZINC000620902453 346018848 /nfs/dbraw/zinc/01/88/48/346018848.db2.gz YVTOURWKPVYCIP-AXFHLTTASA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](C(=O)N1C[C@H](C)N(C)C[C@@H]1C)N(C)C ZINC000635756717 346051178 /nfs/dbraw/zinc/05/11/78/346051178.db2.gz ICHKKQPBEYPIFO-GARJFASQSA-N 0 3 227.352 0.488 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCCCN1)c1nccn1C ZINC000662935782 537935761 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/nfs/dbraw/zinc/04/28/40/346042840.db2.gz XUOBMWXZROJHGC-SNVBAGLBSA-N 0 3 230.352 0.804 20 0 BCADHN C[C@@H](NC(=O)[C@@H](C)N(C)C)C1=CCN(C)CC1 ZINC000635786033 346068849 /nfs/dbraw/zinc/06/88/49/346068849.db2.gz GCYLUHOJUNQZJR-GHMZBOCLSA-N 0 3 239.363 0.703 20 0 BCADHN CC(C)N1CCC[C@@H](NC(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000635807816 346072547 /nfs/dbraw/zinc/07/25/47/346072547.db2.gz PCRSKAABLWAYRL-UTUOFQBUSA-N 0 3 240.347 0.746 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)[C@H]1C[C@@H](O)C1 ZINC000635811402 346074257 /nfs/dbraw/zinc/07/42/57/346074257.db2.gz DNUHOFCXDJTUAL-JGZJWPJOSA-N 0 3 226.320 0.310 20 0 BCADHN O=C([C@H]1C[C@@H](O)C1)N1CCN2CCC1CC2 ZINC000635850279 346090337 /nfs/dbraw/zinc/09/03/37/346090337.db2.gz VIGYHXCLKAEPLD-JGZJWPJOSA-N 0 3 224.304 0.064 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C(=O)CN(C)CC(C)(C)C ZINC000635855309 346091836 /nfs/dbraw/zinc/09/18/36/346091836.db2.gz QFQPFAOZMITZLJ-GHMZBOCLSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C(=O)CN(C)CC(C)(C)C ZINC000635855312 346092035 /nfs/dbraw/zinc/09/20/35/346092035.db2.gz QFQPFAOZMITZLJ-MNOVXSKESA-N 0 3 242.363 0.946 20 0 BCADHN C[NH+](C)CC1(C(=O)NCc2ncccc2[O-])CC1 ZINC000635876435 346095937 /nfs/dbraw/zinc/09/59/37/346095937.db2.gz BYUIIAZIJWCCCD-UHFFFAOYSA-N 0 3 249.314 0.745 20 0 BCADHN Cc1nc[nH]c1C(=O)NC1(CN(C)C)CCC1 ZINC000635892665 346104287 /nfs/dbraw/zinc/10/42/87/346104287.db2.gz YQNHXYUAWUDQGB-UHFFFAOYSA-N 0 3 236.319 0.932 20 0 BCADHN Cc1nc[nH]c1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000635990688 346141424 /nfs/dbraw/zinc/14/14/24/346141424.db2.gz AQOGTCKOZVJYHF-ZJUUUORDSA-N 0 3 234.303 0.494 20 0 BCADHN COCCN(C)CCNC(=O)N1CC[C@H]1C ZINC000588981283 346108073 /nfs/dbraw/zinc/10/80/73/346108073.db2.gz CLZAIFYZTWVKTE-SNVBAGLBSA-N 0 3 229.324 0.368 20 0 BCADHN CC(C)c1nnc(CNC(=O)[C@@H](C)[NH+](C)C)[n-]1 ZINC000635978680 346126573 /nfs/dbraw/zinc/12/65/73/346126573.db2.gz UQYZULUVMJIFOZ-MRVPVSSYSA-N 0 3 239.323 0.494 20 0 BCADHN C[C@@H](C(=O)NCc1nnc(C2CC2)[nH]1)N(C)C ZINC000635977340 346130506 /nfs/dbraw/zinc/13/05/06/346130506.db2.gz APXFYLKNTVGQIU-ZETCQYMHSA-N 0 3 237.307 0.248 20 0 BCADHN C[C@@H](C(=O)NCc1nnc(C2CC2)[n-]1)[NH+](C)C ZINC000635977340 346130507 /nfs/dbraw/zinc/13/05/07/346130507.db2.gz APXFYLKNTVGQIU-ZETCQYMHSA-N 0 3 237.307 0.248 20 0 BCADHN C[C@H](C(=O)NCc1nnc(C2CC2)[nH]1)N(C)C ZINC000635977328 346130558 /nfs/dbraw/zinc/13/05/58/346130558.db2.gz APXFYLKNTVGQIU-SSDOTTSWSA-N 0 3 237.307 0.248 20 0 BCADHN C[C@H](C(=O)NCc1nnc(C2CC2)[n-]1)[NH+](C)C ZINC000635977328 346130559 /nfs/dbraw/zinc/13/05/59/346130559.db2.gz APXFYLKNTVGQIU-SSDOTTSWSA-N 0 3 237.307 0.248 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@@H]21)N(C)C ZINC000635956503 346131670 /nfs/dbraw/zinc/13/16/70/346131670.db2.gz YLYFLQNXPHPMIS-MXWKQRLJSA-N 0 3 225.336 0.099 20 0 BCADHN CCCN(CCN(C)C)C(=O)Cn1ccnc1 ZINC000673659914 488300997 /nfs/dbraw/zinc/30/09/97/488300997.db2.gz LVZBVVSRBSDZNB-UHFFFAOYSA-N 0 3 238.335 0.683 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCC(CCO)CC1 ZINC000401083554 346164833 /nfs/dbraw/zinc/16/48/33/346164833.db2.gz TWNMQFWGNQYTJE-LLVKDONJSA-N 0 3 228.336 0.591 20 0 BCADHN Cc1cc(CNC(=O)CN(C)C(C)C)on1 ZINC000150132907 346168043 /nfs/dbraw/zinc/16/80/43/346168043.db2.gz XILUQHUZBWUBFH-UHFFFAOYSA-N 0 3 225.292 0.939 20 0 BCADHN C[C@@H]1[C@H](N(C)C)CCN1C(=O)C(=O)c1ccc[nH]1 ZINC000631474045 346214734 /nfs/dbraw/zinc/21/47/34/346214734.db2.gz AOVLJJWJNMDSEN-MWLCHTKSSA-N 0 3 249.314 0.748 20 0 BCADHN C[NH+](C)C1(CN=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000419011040 192098330 /nfs/dbraw/zinc/09/83/30/192098330.db2.gz RHXSIZQXTXCUKG-UHFFFAOYSA-N 0 3 232.291 0.233 20 0 BCADHN CN(CCc1ccnn1C)[C@@]1(CO)CCOC1 ZINC000563303967 323108981 /nfs/dbraw/zinc/10/89/81/323108981.db2.gz YXYPPQRJRRELKX-GFCCVEGCSA-N 0 3 239.319 0.046 20 0 BCADHN COc1ccnc(N2C[C@@H]3CCN(C)C[C@@H]3C2)n1 ZINC000631326808 346232427 /nfs/dbraw/zinc/23/24/27/346232427.db2.gz OBOJJOPCDSBFBU-WDEREUQCSA-N 0 3 248.330 0.873 20 0 BCADHN COC(C)(C)CN(C)CCN1C(=O)CCC1=O ZINC000531575571 323110354 /nfs/dbraw/zinc/11/03/54/323110354.db2.gz DLEIQNKMNSSGRU-UHFFFAOYSA-N 0 3 242.319 0.492 20 0 BCADHN Cc1ncc(CNC[C@@]2(O)CCO[C@@H]2C)o1 ZINC000628254594 346238687 /nfs/dbraw/zinc/23/86/87/346238687.db2.gz IERSAXNXBTYWFG-KCJUWKMLSA-N 0 3 226.276 0.613 20 0 BCADHN CC(C)NS(=O)(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000632370432 346239487 /nfs/dbraw/zinc/23/94/87/346239487.db2.gz ZSNXLSIEOFFTFB-VHSXEESVSA-N 0 3 249.380 0.254 20 0 BCADHN CC1(C)CN(CCn2ccnc2)C[C@@H]1O ZINC000279694373 346257520 /nfs/dbraw/zinc/25/75/20/346257520.db2.gz GJNLIBAZVJGZIW-JTQLQIEISA-N 0 3 209.293 0.586 20 0 BCADHN CC1(CN[C@@H](CO)CC(F)(F)F)COC1 ZINC000641745083 362666782 /nfs/dbraw/zinc/66/67/82/362666782.db2.gz NGAUMMIRECGJCK-SSDOTTSWSA-N 0 3 227.226 0.926 20 0 BCADHN CN(C)CCN(C)C(=O)NCC[C@H]1CCCO1 ZINC000673876476 488310563 /nfs/dbraw/zinc/31/05/63/488310563.db2.gz UFGLEBAKEQSOBW-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN Cc1ncc(CNCCOCCN(C)C)o1 ZINC000641749640 362670619 /nfs/dbraw/zinc/67/06/19/362670619.db2.gz WRQLEBHAXDZUKZ-UHFFFAOYSA-N 0 3 227.308 0.651 20 0 BCADHN C[C@H]1OCC[C@@]1(O)CNCc1ccncc1N ZINC000641749982 362671504 /nfs/dbraw/zinc/67/15/04/362671504.db2.gz FJJOAYRRXCSRIG-BXKDBHETSA-N 0 3 237.303 0.293 20 0 BCADHN C[C@H](CCNCc1ccncc1N)[S@](C)=O ZINC000603427562 349950010 /nfs/dbraw/zinc/95/00/10/349950010.db2.gz OAHCPDDPIXFUHU-ABKXIKBNSA-N 0 3 241.360 0.911 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)[C@H]1C[C@@H](O)C1 ZINC000636054295 346301014 /nfs/dbraw/zinc/30/10/14/346301014.db2.gz PPNZMXRSZJEMBW-GARJFASQSA-N 0 3 226.320 0.310 20 0 BCADHN COCCN(C)CCNC(=O)CCC(F)F ZINC000684428202 488311685 /nfs/dbraw/zinc/31/16/85/488311685.db2.gz BHODFWQMYYKAFG-UHFFFAOYSA-N 0 3 238.278 0.726 20 0 BCADHN C[C@H](CC[S@@](C)=O)NCc1ccncc1N ZINC000603426085 349949180 /nfs/dbraw/zinc/94/91/80/349949180.db2.gz JBYJPNIEKOYIFE-JDNHERCYSA-N 0 3 241.360 0.911 20 0 BCADHN COCCN(CCN(C)C)Cc1nc(C)c[nH]1 ZINC000628279119 346287883 /nfs/dbraw/zinc/28/78/83/346287883.db2.gz VWCNYAAFFAGTNW-UHFFFAOYSA-N 0 3 240.351 0.728 20 0 BCADHN Nc1cnccc1CNCCCn1ccnn1 ZINC000641747623 362673973 /nfs/dbraw/zinc/67/39/73/362673973.db2.gz MWSBAQFSGCUPHQ-UHFFFAOYSA-N 0 3 232.291 0.435 20 0 BCADHN CCC[C@H](O)[C@@H](CO)NCc1ccncc1N ZINC000641762754 362694446 /nfs/dbraw/zinc/69/44/46/362694446.db2.gz OATPIGXDDIDMHR-NEPJUHHUSA-N 0 3 239.319 0.275 20 0 BCADHN CN(C)[C@H]1C[C@H](NC(=O)C2CC(=O)C2)C1(C)C ZINC000636096964 346317772 /nfs/dbraw/zinc/31/77/72/346317772.db2.gz JFUBCADMKOXTAD-QWRGUYRKSA-N 0 3 238.331 0.810 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N[C@H](C)C(C)(C)C ZINC000563337504 323119059 /nfs/dbraw/zinc/11/90/59/323119059.db2.gz BDYOQTKIVFVHKF-RKDXNWHRSA-N 0 3 244.335 0.818 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCc2ccncc21 ZINC000562967610 346358560 /nfs/dbraw/zinc/35/85/60/346358560.db2.gz YNWOMBNLCWWBLI-DTWKUNHWSA-N 0 3 203.245 0.318 20 0 BCADHN C[C@H](C(=O)N[C@H]1CCN(C(C)(C)C)C1)N(C)C ZINC000636159777 346340762 /nfs/dbraw/zinc/34/07/62/346340762.db2.gz KZMWJXVJYWGAEF-MNOVXSKESA-N 0 3 241.379 0.926 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCCOC1 ZINC000161604409 346340926 /nfs/dbraw/zinc/34/09/26/346340926.db2.gz HWQUARMQJZFOSI-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN CCN(C(=O)[C@@H](C)N(C)C)[C@@H]1CCN(C)C1 ZINC000636160064 346340960 /nfs/dbraw/zinc/34/09/60/346340960.db2.gz KLRJHCCBJYORRN-GHMZBOCLSA-N 0 3 227.352 0.489 20 0 BCADHN CCN(CC)[C@@H](C)CNS(=O)(=O)CC ZINC000036076744 346373262 /nfs/dbraw/zinc/37/32/62/346373262.db2.gz BYIOJDYHNPXZSN-VIFPVBQESA-N 0 3 222.354 0.656 20 0 BCADHN CCN(CC)[C@H](C)CNS(C)(=O)=O ZINC000036076741 346373280 /nfs/dbraw/zinc/37/32/80/346373280.db2.gz NNEKDGJRZZEOBX-MRVPVSSYSA-N 0 3 208.327 0.266 20 0 BCADHN CC[C@H](C)C[C@H](C)NC(=O)C(=O)N(C)CCN ZINC000419179854 192101611 /nfs/dbraw/zinc/10/16/11/192101611.db2.gz WRYZLGVPOMVNKS-UWVGGRQHSA-N 0 3 243.351 0.344 20 0 BCADHN CC(C)NC(=O)[C@@H](C)N[C@@H]1CCSC1 ZINC000161728203 346379005 /nfs/dbraw/zinc/37/90/05/346379005.db2.gz MSHWWBDZCBEEAA-RKDXNWHRSA-N 0 3 216.350 0.995 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@H]1CCSC1 ZINC000161728588 346379166 /nfs/dbraw/zinc/37/91/66/346379166.db2.gz MSHWWBDZCBEEAA-IUCAKERBSA-N 0 3 216.350 0.995 20 0 BCADHN CN(CC(=O)NCC1COC1)CC(C)(C)C ZINC000636289021 346380504 /nfs/dbraw/zinc/38/05/04/346380504.db2.gz YUUCKQCHPPVMNV-UHFFFAOYSA-N 0 3 228.336 0.727 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H](C)N(C)C)CCN1C ZINC000636337828 346402243 /nfs/dbraw/zinc/40/22/43/346402243.db2.gz BSVJXPUDEDJCTM-NWDGAFQWSA-N 0 3 241.379 0.735 20 0 BCADHN CCN(CC)CC(=O)N1CC(OC(C)C)C1 ZINC000636325544 346395668 /nfs/dbraw/zinc/39/56/68/346395668.db2.gz ASAMCSZKWMXPNW-UHFFFAOYSA-N 0 3 228.336 0.964 20 0 BCADHN COCCN(CCO)CCOCC1CCC1 ZINC000419197609 192102766 /nfs/dbraw/zinc/10/27/66/192102766.db2.gz XYJWLHRPBWYYQZ-UHFFFAOYSA-N 0 3 231.336 0.744 20 0 BCADHN CC1(C)CN(CCC2(O)CCC2)C[C@H](CO)O1 ZINC000332491872 346415311 /nfs/dbraw/zinc/41/53/11/346415311.db2.gz XGPUZUUNQASVAB-LLVKDONJSA-N 0 3 243.347 0.763 20 0 BCADHN C[NH2+]CCN(C)C(=O)c1ccc(C)cc1[O-] ZINC000069801665 349960790 /nfs/dbraw/zinc/96/07/90/349960790.db2.gz JOLZZIUKKKMHDS-UHFFFAOYSA-N 0 3 222.288 0.992 20 0 BCADHN Cc1cccc(CN2CC[C@@](O)(C(N)=O)C2)c1 ZINC000276492877 179081640 /nfs/dbraw/zinc/08/16/40/179081640.db2.gz VUSCRENAQACSJD-ZDUSSCGKSA-N 0 3 234.299 0.417 20 0 BCADHN COC(=O)[C@](C)(O)CN[C@]1(C)CCO[C@H]1C ZINC000300362938 346432121 /nfs/dbraw/zinc/43/21/21/346432121.db2.gz CZVUKUXQVGAFDK-JMJZKYOTSA-N 0 3 231.292 0.068 20 0 BCADHN Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2N)n1 ZINC000051572711 179086324 /nfs/dbraw/zinc/08/63/24/179086324.db2.gz PUCHKRCGVORYRI-ZJUUUORDSA-N 0 3 205.261 0.353 20 0 BCADHN CNC(=O)CCN(C)CCOC(C)C ZINC000170783345 346448589 /nfs/dbraw/zinc/44/85/89/346448589.db2.gz KXHCTQJNQXZAPM-UHFFFAOYSA-N 0 3 202.298 0.479 20 0 BCADHN CC(C)(C)[C@@H](CO)NCC(=O)NCC1CCC1 ZINC000180629446 535048398 /nfs/dbraw/zinc/04/83/98/535048398.db2.gz PHLNJVXRKFIMRT-LLVKDONJSA-N 0 3 242.363 0.899 20 0 BCADHN CNCC(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000563448499 323126256 /nfs/dbraw/zinc/12/62/56/323126256.db2.gz BBAJONDQFZDQBE-LLVKDONJSA-N 0 3 219.288 0.592 20 0 BCADHN CN(C)C(=O)C(C)(C)NC[C@H]1CCCO1 ZINC000380027531 365813274 /nfs/dbraw/zinc/81/32/74/365813274.db2.gz ZBKIIWZHJQKUKC-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H]([NH3+])CCC(=O)Nc1ccncc1[O-] ZINC000580831827 346474096 /nfs/dbraw/zinc/47/40/96/346474096.db2.gz HZRUUMNURIFDEH-ZETCQYMHSA-N 0 3 209.249 0.275 20 0 BCADHN COC[C@H](O)CNCc1cccc(N(C)C)c1 ZINC000580065029 346504323 /nfs/dbraw/zinc/50/43/23/346504323.db2.gz GNHNYEWNRWDMPJ-CYBMUJFWSA-N 0 3 238.331 0.850 20 0 BCADHN CC(=O)NCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC000580078419 346512819 /nfs/dbraw/zinc/51/28/19/346512819.db2.gz BTVWXHRMXIBFOJ-NSHDSACASA-N 0 3 243.351 0.167 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCN(C)C(C)(C)C1 ZINC000070100284 349966497 /nfs/dbraw/zinc/96/64/97/349966497.db2.gz MOJVASVSUGUHRO-LBPRGKRZSA-N 0 3 244.379 0.798 20 0 BCADHN CCO[C@H]1C[C@@H]1NC(=O)NCCN(C)C1CC1 ZINC000574980602 346488229 /nfs/dbraw/zinc/48/82/29/346488229.db2.gz NDTBQYAHYNHRFH-QWRGUYRKSA-N 0 3 241.335 0.557 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NC(C)(C)C ZINC000201009014 346491311 /nfs/dbraw/zinc/49/13/11/346491311.db2.gz UIKFTFRYOXZBNX-SSDOTTSWSA-N 0 3 216.281 0.182 20 0 BCADHN CNC(=O)[C@H]1CN(CC2CCCC2)CCO1 ZINC000182462375 347096109 /nfs/dbraw/zinc/09/61/09/347096109.db2.gz OKPOMLADGLGONY-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN CN(CC1CC1)C(=O)CNC(C)(C)CC(N)=O ZINC000186219292 346499090 /nfs/dbraw/zinc/49/90/90/346499090.db2.gz NFCXMTAKYQJBQN-UHFFFAOYSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@@H](C[S@@](C)=O)NCc1ccncc1N ZINC000603437247 349968864 /nfs/dbraw/zinc/96/88/64/349968864.db2.gz LCBHJJADSUVRLS-VXJOIVPMSA-N 0 3 227.333 0.520 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000186681094 346529851 /nfs/dbraw/zinc/52/98/51/346529851.db2.gz VBODVBDUQMUYAN-QWRGUYRKSA-N 0 3 228.336 0.556 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000186681074 346530286 /nfs/dbraw/zinc/53/02/86/346530286.db2.gz VBODVBDUQMUYAN-MNOVXSKESA-N 0 3 228.336 0.556 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000577113247 365821340 /nfs/dbraw/zinc/82/13/40/365821340.db2.gz ITPBHWQWKDMWAQ-UWVGGRQHSA-N 0 3 214.309 0.620 20 0 BCADHN CC(C)[C@@H](CO)N[C@H]1CCCN(C(C)C)C1=O ZINC000192774295 365822234 /nfs/dbraw/zinc/82/22/34/365822234.db2.gz PMWDXVKJNXGJTE-NWDGAFQWSA-N 0 3 242.363 0.992 20 0 BCADHN C[C@H]1CCN(CC2CCOCC2)[C@H](C(N)=O)C1 ZINC000187373803 346571550 /nfs/dbraw/zinc/57/15/50/346571550.db2.gz PKZICVBLBSXZMG-JQWIXIFHSA-N 0 3 240.347 0.999 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000577123426 365826863 /nfs/dbraw/zinc/82/68/63/365826863.db2.gz LULOYNJYBAFFKT-JXUBOQSCSA-N 0 3 214.309 0.667 20 0 BCADHN Cc1cccc(NC(=O)CN2CCNCC2)n1 ZINC000034958646 179127894 /nfs/dbraw/zinc/12/78/94/179127894.db2.gz LSBLVCVWXRWTOK-UHFFFAOYSA-N 0 3 234.303 0.234 20 0 BCADHN CN1CC[C@@H](Cn2nc3ccccn3c2=O)C1 ZINC000187679860 346597487 /nfs/dbraw/zinc/59/74/87/346597487.db2.gz MPSRPVACLOZSMR-SNVBAGLBSA-N 0 3 232.287 0.448 20 0 BCADHN Cc1cccc(NC(=O)C(=O)NCCN)c1C ZINC000037242987 179125517 /nfs/dbraw/zinc/12/55/17/179125517.db2.gz HIEBJKUNVHAMIK-UHFFFAOYSA-N 0 3 235.287 0.317 20 0 BCADHN C[C@H]1CN(C2CCCC2)CCN1CCO ZINC000187734214 346604549 /nfs/dbraw/zinc/60/45/49/346604549.db2.gz UQFJRQGFMCCPOG-NSHDSACASA-N 0 3 212.337 0.927 20 0 BCADHN C[C@H]1CN(CCNCC2(F)CC2)CCO1 ZINC000380054540 365832234 /nfs/dbraw/zinc/83/22/34/365832234.db2.gz XZNJRLPVKLJZFJ-JTQLQIEISA-N 0 3 216.300 0.799 20 0 BCADHN CCn1cc(CN(C)C(=O)CNC)cn1 ZINC000381866658 346655157 /nfs/dbraw/zinc/65/51/57/346655157.db2.gz XNZGVUZJWVKNNR-UHFFFAOYSA-N 0 3 210.281 0.081 20 0 BCADHN CCCNC(=O)NC1CCN(CCO)CC1 ZINC000601205314 346665805 /nfs/dbraw/zinc/66/58/05/346665805.db2.gz HKPNTSDASLZQLH-UHFFFAOYSA-N 0 3 229.324 0.152 20 0 BCADHN CCCS(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000108406292 346670692 /nfs/dbraw/zinc/67/06/92/346670692.db2.gz IBBOINXRSOQHNZ-JTQLQIEISA-N 0 3 234.365 0.658 20 0 BCADHN CC(C)C[C@@H]1CCN([C@@H]2CC(=O)NC2=O)C1 ZINC000580208560 346672490 /nfs/dbraw/zinc/67/24/90/346672490.db2.gz GFNSMHVNWOITKN-VHSXEESVSA-N 0 3 224.304 0.770 20 0 BCADHN CC(=O)CCC(=O)NCCCCN(C)C ZINC000203578599 346639793 /nfs/dbraw/zinc/63/97/93/346639793.db2.gz CDLBMFVXUYUNKS-UHFFFAOYSA-N 0 3 214.309 0.814 20 0 BCADHN CCCC[C@@H](N)C(=O)NC[C@H]1COCCO1 ZINC000038062337 346712754 /nfs/dbraw/zinc/71/27/54/346712754.db2.gz NDCBQYKMORTHSL-VHSXEESVSA-N 0 3 230.308 0.036 20 0 BCADHN C[C@@H]1CN(CCn2ccccc2=O)CCCO1 ZINC000589606708 346717484 /nfs/dbraw/zinc/71/74/84/346717484.db2.gz MYDVQVPMHJINAM-GFCCVEGCSA-N 0 3 236.315 0.959 20 0 BCADHN C[C@@H]1CN(Cc2ccn(C)c(=O)c2)CCCO1 ZINC000589604227 346717795 /nfs/dbraw/zinc/71/77/95/346717795.db2.gz VUFPJFVMWDFMAE-LLVKDONJSA-N 0 3 236.315 0.996 20 0 BCADHN CCc1cnc(CNC(=O)CNC)s1 ZINC000178835216 346718514 /nfs/dbraw/zinc/71/85/14/346718514.db2.gz NHUWLJSCTGXKJW-UHFFFAOYSA-N 0 3 213.306 0.541 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000019423945 187370056 /nfs/dbraw/zinc/37/00/56/187370056.db2.gz FZALYKBJTVYQSS-AXFHLTTASA-N 0 3 228.336 0.996 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)CC2(CO)CC2)C1 ZINC000580210139 346676752 /nfs/dbraw/zinc/67/67/52/346676752.db2.gz LUAMKXAAITUAPW-NSHDSACASA-N 0 3 240.347 0.559 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)CC2(CO)CC2)C1 ZINC000580210138 346676775 /nfs/dbraw/zinc/67/67/75/346676775.db2.gz LUAMKXAAITUAPW-LLVKDONJSA-N 0 3 240.347 0.559 20 0 BCADHN Nc1nccc([C@H]2CCCN(CCO)C2)n1 ZINC000205701424 346692610 /nfs/dbraw/zinc/69/26/10/346692610.db2.gz PQUFZYISXIEYBF-VIFPVBQESA-N 0 3 222.292 0.231 20 0 BCADHN CN[C@@H](C)C(=O)N1CCNC[C@@H]1c1ccncc1 ZINC000580216450 346700379 /nfs/dbraw/zinc/70/03/79/346700379.db2.gz YJRCTKAHAAUQBY-CMPLNLGQSA-N 0 3 248.330 0.162 20 0 BCADHN CN(C)CC(=O)N1CCN(c2ccncc2)CC1 ZINC000589442116 346700859 /nfs/dbraw/zinc/70/08/59/346700859.db2.gz LCGJDKWRZWFVKR-UHFFFAOYSA-N 0 3 248.330 0.292 20 0 BCADHN CCc1n[nH]c(=O)c(CNC[C@H](C)O)c1CC ZINC000562996118 346739805 /nfs/dbraw/zinc/73/98/05/346739805.db2.gz HYQQZYOXNJEODT-QMMMGPOBSA-N 0 3 239.319 0.777 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)N[C@H]1CCCN(C)C1 ZINC000590161859 346784855 /nfs/dbraw/zinc/78/48/55/346784855.db2.gz QMSCZFQXFHPLCE-KXUCPTDWSA-N 0 3 211.309 0.788 20 0 BCADHN COC(=O)[C@@H](CNC(=O)[C@H](C)N)CC1CC1 ZINC000571101143 323135401 /nfs/dbraw/zinc/13/54/01/323135401.db2.gz WSLYSQRFZXIOAK-IONNQARKSA-N 0 3 228.292 0.039 20 0 BCADHN CC[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000580665586 365860057 /nfs/dbraw/zinc/86/00/57/365860057.db2.gz FTTMCOVSLUQLNM-UTLUCORTSA-N 0 3 214.309 0.166 20 0 BCADHN Cc1cccc(OCCNC(=O)[C@@H](C)N)c1 ZINC000041240532 179167561 /nfs/dbraw/zinc/16/75/61/179167561.db2.gz UNISKHZFTKUDCY-SNVBAGLBSA-N 0 3 222.288 0.837 20 0 BCADHN Cc1cccc(OCCNC(=O)C2(N)CC2)c1 ZINC000083360956 179168089 /nfs/dbraw/zinc/16/80/89/179168089.db2.gz GPXHPNBPFVERHA-UHFFFAOYSA-N 0 3 234.299 0.981 20 0 BCADHN CCOC(=O)C1(C)CC(NC2(CO)CC2)C1 ZINC000601273624 347135232 /nfs/dbraw/zinc/13/52/32/347135232.db2.gz LNMIBTWHFRKNSE-UHFFFAOYSA-N 0 3 227.304 0.833 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCC[C@](C)(O)C1 ZINC000252728111 347140026 /nfs/dbraw/zinc/14/00/26/347140026.db2.gz ZCLIGXMCLAWGJV-PWSUYJOCSA-N 0 3 245.319 0.147 20 0 BCADHN C[C@H]1CCN(CCNCc2csnn2)C1 ZINC000393622833 347142268 /nfs/dbraw/zinc/14/22/68/347142268.db2.gz MBWYODRWZKAEBT-VIFPVBQESA-N 0 3 226.349 0.970 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccc(N)cn2)[C@@H]1C ZINC000582064194 347158222 /nfs/dbraw/zinc/15/82/22/347158222.db2.gz XNMUEQMXPFVNBT-RKDXNWHRSA-N 0 3 234.303 0.486 20 0 BCADHN COC[C@H](C)NC(=O)NCC1(N(C)C)CCC1 ZINC000641820881 362773236 /nfs/dbraw/zinc/77/32/36/362773236.db2.gz ILFDEZWLIKWNEB-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN1CC(C(C)C)C1 ZINC000684606702 488331289 /nfs/dbraw/zinc/33/12/89/488331289.db2.gz AIZREQLIWJGXFE-AAEUAGOBSA-N 0 3 245.363 0.987 20 0 BCADHN COC[C@H](N[C@H](CO)c1ccnn1C)C1CC1 ZINC000624018568 347170499 /nfs/dbraw/zinc/17/04/99/347170499.db2.gz TZLIBRSAUMXUMN-MNOVXSKESA-N 0 3 239.319 0.468 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)N(C)C ZINC000354574512 187374005 /nfs/dbraw/zinc/37/40/05/187374005.db2.gz GYHKJHGXKHWBOL-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN CCCCOCCN[C@H](CO)[C@@H]1CCCO1 ZINC000310009661 347218690 /nfs/dbraw/zinc/21/86/90/347218690.db2.gz ICZRVVSGSRFSSY-NEPJUHHUSA-N 0 3 231.336 0.933 20 0 BCADHN CCN1C(=O)[C@H]2CN(C(C)C)CCN2C1=O ZINC000364040233 347242178 /nfs/dbraw/zinc/24/21/78/347242178.db2.gz HUVWCNIGESOGOH-SECBINFHSA-N 0 3 225.292 0.363 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N[C@H]1CCCC1(C)C ZINC000419216881 192104535 /nfs/dbraw/zinc/10/45/35/192104535.db2.gz CEIYGFYARYFDRA-BDAKNGLRSA-N 0 3 241.335 0.145 20 0 BCADHN CCNC(=S)NC1CCN(C)CC1 ZINC000013775602 362804988 /nfs/dbraw/zinc/80/49/88/362804988.db2.gz WTXOVBZLYNVOTJ-UHFFFAOYSA-N 0 3 201.339 0.565 20 0 BCADHN C[C@@H](CCCCO)NCc1nnc2n1CCC2 ZINC000679332554 488341004 /nfs/dbraw/zinc/34/10/04/488341004.db2.gz WOHCULICVCQQSQ-JTQLQIEISA-N 0 3 238.335 0.865 20 0 BCADHN C[C@]1(CN2CCOC[C@@H](O)C2)CCCS1 ZINC000628297537 347257244 /nfs/dbraw/zinc/25/72/44/347257244.db2.gz BNRKFZQEDXQIIP-WDEREUQCSA-N 0 3 231.361 0.965 20 0 BCADHN CSC[C@H](O)CN[C@H]1CC(=O)N(C(C)C)C1 ZINC000571315689 323141219 /nfs/dbraw/zinc/14/12/19/323141219.db2.gz LYIRBXYIWGWOIN-VHSXEESVSA-N 0 3 246.376 0.309 20 0 BCADHN CNCC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000082276235 347325995 /nfs/dbraw/zinc/32/59/95/347325995.db2.gz AYMCJMBRCQAEDN-VIFPVBQESA-N 0 3 222.292 0.335 20 0 BCADHN CCC(C)(C)C(=O)NCCNCCOC ZINC000212743415 347341741 /nfs/dbraw/zinc/34/17/41/347341741.db2.gz YDGBSSPELDTFKN-UHFFFAOYSA-N 0 3 216.325 0.775 20 0 BCADHN COC[C@](C)(O)C[NH2+]Cc1nc(C)ccc1[O-] ZINC000382550570 347355618 /nfs/dbraw/zinc/35/56/18/347355618.db2.gz HKEAFHKPRVUBEO-GFCCVEGCSA-N 0 3 240.303 0.583 20 0 BCADHN CCC(C)(C)CNC(=O)C(=O)N(C)[C@@H](C)CN ZINC000419218988 192106526 /nfs/dbraw/zinc/10/65/26/192106526.db2.gz GUNFAPLGZDKXRR-VIFPVBQESA-N 0 3 243.351 0.344 20 0 BCADHN O=C(C[C@H]1CCCCO1)N1CCCNCC1 ZINC000082241750 347310262 /nfs/dbraw/zinc/31/02/62/347310262.db2.gz FUSWFDLNKAKEAG-LLVKDONJSA-N 0 3 226.320 0.768 20 0 BCADHN CNC(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000601397560 347311822 /nfs/dbraw/zinc/31/18/22/347311822.db2.gz OHRLQSJEFUDHBH-ZJUUUORDSA-N 0 3 243.376 0.837 20 0 BCADHN CC(C)C[C@H](C)NC(=O)C(=O)N(C)[C@H](C)CN ZINC000419218025 192106107 /nfs/dbraw/zinc/10/61/07/192106107.db2.gz FLZREWPCHMWSNU-VHSXEESVSA-N 0 3 243.351 0.343 20 0 BCADHN CO[C@H](C)[C@@H](C)NC[C@H](O)C(F)(F)F ZINC000166809176 136745447 /nfs/dbraw/zinc/74/54/47/136745447.db2.gz AUNASWRLFWRGOM-QYNIQEEDSA-N 0 3 215.215 0.923 20 0 BCADHN CCn1ccc(CN(C)c2nc(N)nc(N)n2)c1 ZINC000624152722 347390424 /nfs/dbraw/zinc/39/04/24/347390424.db2.gz HFJINNYPPQMTIW-UHFFFAOYSA-N 0 3 247.306 0.155 20 0 BCADHN CC[C@@H](N)C(=O)N(C[C@@H](C)C(=O)OC)C1CC1 ZINC000571444044 323145022 /nfs/dbraw/zinc/14/50/22/323145022.db2.gz PZEGFXVZXBWMNF-PSASIEDQSA-N 0 3 242.319 0.524 20 0 BCADHN CCOC(=O)CCN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000571484202 323145827 /nfs/dbraw/zinc/14/58/27/323145827.db2.gz XJSYTVXMDNRDHJ-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN COC[C@@H]1CCN(C(=O)C2(N)CCC2)C1 ZINC000088051308 362840831 /nfs/dbraw/zinc/84/08/31/362840831.db2.gz QBYNIVUSGQJHIZ-SECBINFHSA-N 0 3 212.293 0.363 20 0 BCADHN OCCN(CCO)CCOCC1CCC1 ZINC000419219604 192106670 /nfs/dbraw/zinc/10/66/70/192106670.db2.gz UGERGYXHYRQBMF-UHFFFAOYSA-N 0 3 217.309 0.090 20 0 BCADHN NC1(C(=O)NC[C@H]2CCCOC2)CCC1 ZINC000088050638 362841211 /nfs/dbraw/zinc/84/12/11/362841211.db2.gz KMBTWALRDBUPHQ-SECBINFHSA-N 0 3 212.293 0.411 20 0 BCADHN CCN(C)CCNC(=O)Nc1cnn(C)c1 ZINC000194838076 347432604 /nfs/dbraw/zinc/43/26/04/347432604.db2.gz NFSIPMOSUIAXSO-UHFFFAOYSA-N 0 3 225.296 0.493 20 0 BCADHN CCN(CC)CCNS(=O)(=O)N(C)C1CC1 ZINC000605768637 347442291 /nfs/dbraw/zinc/44/22/91/347442291.db2.gz VTTTZANBMCBPBU-UHFFFAOYSA-N 0 3 249.380 0.257 20 0 BCADHN CC1(C)CN([C@@H]2CCCCNC2=O)CC[C@@H]1O ZINC000301942776 347443775 /nfs/dbraw/zinc/44/37/75/347443775.db2.gz ZWOSXMIMSLGUJV-MNOVXSKESA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1CCN(c2nc(N)nc(N)n2)CCS1 ZINC000624157418 347444375 /nfs/dbraw/zinc/44/43/75/347444375.db2.gz LEORWSPMTQJPGW-ZCFIWIBFSA-N 0 3 240.336 0.029 20 0 BCADHN CC(C)[C@H]1CN(C(=O)C(C)(C)O)CCN1 ZINC000621157074 347448722 /nfs/dbraw/zinc/44/87/22/347448722.db2.gz NOPAELQIXSSBKF-SECBINFHSA-N 0 3 214.309 0.214 20 0 BCADHN CC(C)C[C@H](C)N1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000355903856 187375772 /nfs/dbraw/zinc/37/57/72/187375772.db2.gz HFHIZVXLMPREAL-GARJFASQSA-N 0 3 228.336 0.996 20 0 BCADHN CC(C)CC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC000571551702 323147771 /nfs/dbraw/zinc/14/77/71/323147771.db2.gz GBERHHSBDUYWRG-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)Cc2c[nH]cn2)C1 ZINC000616928691 347494869 /nfs/dbraw/zinc/49/48/69/347494869.db2.gz JCYAYYUFBNPJIR-SNVBAGLBSA-N 0 3 236.319 0.710 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)Cc2cnc[nH]2)C1 ZINC000616928691 347494871 /nfs/dbraw/zinc/49/48/71/347494871.db2.gz JCYAYYUFBNPJIR-SNVBAGLBSA-N 0 3 236.319 0.710 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000616927409 347460665 /nfs/dbraw/zinc/46/06/65/347460665.db2.gz IJBNOCQFBXLNHM-LBPRGKRZSA-N 0 3 248.330 0.995 20 0 BCADHN CN(Cc1cnc[nH]1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000616927409 347460667 /nfs/dbraw/zinc/46/06/67/347460667.db2.gz IJBNOCQFBXLNHM-LBPRGKRZSA-N 0 3 248.330 0.995 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N(CCN(C)C)C1CC1 ZINC000356292489 187376112 /nfs/dbraw/zinc/37/61/12/187376112.db2.gz PQTCIDPUWDPROC-SECBINFHSA-N 0 3 241.335 0.064 20 0 BCADHN COCCNCCNC(=O)NC(C)(C)C ZINC000216304266 347479796 /nfs/dbraw/zinc/47/97/96/347479796.db2.gz KFVKUMRVUPPCEN-UHFFFAOYSA-N 0 3 217.313 0.320 20 0 BCADHN CCN1CCN(CC2(C(=O)OC)CC2)C[C@@H]1C ZINC000590709633 347498691 /nfs/dbraw/zinc/49/86/91/347498691.db2.gz PZPOMTRWEYUMPY-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN O=C(C[NH2+]C1CC1)NCc1ncccc1[O-] ZINC000577219694 365887148 /nfs/dbraw/zinc/88/71/48/365887148.db2.gz ULJPLOZSPQQHQL-UHFFFAOYSA-N 0 3 221.260 0.155 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCc1cnn(C)c1 ZINC000382972156 347513137 /nfs/dbraw/zinc/51/31/37/347513137.db2.gz RNMLEWINZRLPAW-QMMMGPOBSA-N 0 3 222.292 0.177 20 0 BCADHN CC[C@@H](N)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000577222002 365889274 /nfs/dbraw/zinc/88/92/74/365889274.db2.gz CFSURQJVQQUEOZ-VXGBXAGGSA-N 0 3 248.330 0.292 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000367290498 187378465 /nfs/dbraw/zinc/37/84/65/187378465.db2.gz KOCQTUFELGDJEF-JTQLQIEISA-N 0 3 241.335 0.051 20 0 BCADHN CC(C)(C)[C@H](O)CN1C[C@@H](CO)OC(C)(C)C1 ZINC000302345995 347523855 /nfs/dbraw/zinc/52/38/55/347523855.db2.gz IDGLYBMIIQEPQB-WDEREUQCSA-N 0 3 245.363 0.865 20 0 BCADHN CCc1nc(C(=O)N(C)CCN(C)C)co1 ZINC000356940211 187377510 /nfs/dbraw/zinc/37/75/10/187377510.db2.gz MFELVGQIYZKJMH-UHFFFAOYSA-N 0 3 225.292 0.871 20 0 BCADHN CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H](O)C1CC1 ZINC000617006820 347576786 /nfs/dbraw/zinc/57/67/86/347576786.db2.gz HFTQMRHYFPPNOO-GHMZBOCLSA-N 0 3 240.347 0.746 20 0 BCADHN CC(C)[C@@H](O)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617007347 347577463 /nfs/dbraw/zinc/57/74/63/347577463.db2.gz RBVAOMRVGULEHD-GHMZBOCLSA-N 0 3 242.363 0.992 20 0 BCADHN CN1CCC[C@@H](NC(=O)NC2(C)COC2)C1 ZINC000636623592 347577933 /nfs/dbraw/zinc/57/79/33/347577933.db2.gz APZBYPNSBSMCEM-SECBINFHSA-N 0 3 227.308 0.169 20 0 BCADHN C[C@@H](O)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617008696 347578872 /nfs/dbraw/zinc/57/88/72/347578872.db2.gz KPKXFRBXLRVIIP-BDAKNGLRSA-N 0 3 214.309 0.356 20 0 BCADHN CN(CCNC(=O)Cn1cccn1)C1CC1 ZINC000063116695 347580779 /nfs/dbraw/zinc/58/07/79/347580779.db2.gz MXPFGWOLONLMHR-UHFFFAOYSA-N 0 3 222.292 0.094 20 0 BCADHN CN1CC[C@H](CNc2cc(F)ncn2)C1 ZINC000149998056 347581830 /nfs/dbraw/zinc/58/18/30/347581830.db2.gz MALIBLTXEURQMD-MRVPVSSYSA-N 0 3 210.256 0.979 20 0 BCADHN COCCOCCNCc1ccc(=O)[nH]c1 ZINC000392664774 347616721 /nfs/dbraw/zinc/61/67/21/347616721.db2.gz HRBARJHGOMXEOW-UHFFFAOYSA-N 0 3 226.276 0.540 20 0 BCADHN CN1CC[C@@H](C(=O)Nc2nncs2)C1 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211.309 0.647 20 0 BCADHN CCC(CC)NC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000419593928 192143136 /nfs/dbraw/zinc/14/31/36/192143136.db2.gz IOTUTAUBMTWXLE-JTQLQIEISA-N 0 3 241.335 0.145 20 0 BCADHN CC(C)C[C@H](CN)NC(=O)C(=O)NC1CCC1 ZINC000419632391 192143994 /nfs/dbraw/zinc/14/39/94/192143994.db2.gz XMWHWFNOYHKKCM-SNVBAGLBSA-N 0 3 241.335 0.145 20 0 BCADHN COc1cc(F)cc(CN[C@H](CO)[C@@H](C)O)c1 ZINC000419794626 192144842 /nfs/dbraw/zinc/14/48/42/192144842.db2.gz HCAIXXYSTOYRBG-PRHODGIISA-N 0 3 243.278 0.666 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000419816687 192145596 /nfs/dbraw/zinc/14/55/96/192145596.db2.gz QSEAKCSOZRXTMX-KXUCPTDWSA-N 0 3 241.335 0.145 20 0 BCADHN COc1cccc(CN[C@H](CO)[C@@H](C)O)c1 ZINC000419809050 192145647 /nfs/dbraw/zinc/14/56/47/192145647.db2.gz KHLYVNVBRDMILB-BXKDBHETSA-N 0 3 225.288 0.527 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1ccc(F)cc1 ZINC000419811616 192145666 /nfs/dbraw/zinc/14/56/66/192145666.db2.gz MCFMKYSCSWWLQF-LDYMZIIASA-N 0 3 213.252 0.657 20 0 BCADHN Cc1ccccc1CN[C@H](CO)[C@@H](C)O ZINC000419812550 192145750 /nfs/dbraw/zinc/14/57/50/192145750.db2.gz MXZOSCZKGLXGNW-ZYHUDNBSSA-N 0 3 209.289 0.826 20 0 BCADHN C=Cn1cc(CN[C@@H](CO)[C@H](O)CCC)cn1 ZINC000419803801 192146002 /nfs/dbraw/zinc/14/60/02/192146002.db2.gz CPEDADOCBDFGLI-NWDGAFQWSA-N 0 3 239.319 0.595 20 0 BCADHN CN(C(=O)C(=O)NCCN)[C@@H]1CCC(C)(C)C1 ZINC000419822234 192146264 /nfs/dbraw/zinc/14/62/64/192146264.db2.gz VYAICEKNFAWHIH-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN CCC[C@H](O)[C@@H](CO)NCc1ccn(C)c1 ZINC000419831074 192146514 /nfs/dbraw/zinc/14/65/14/192146514.db2.gz UTCGDALCWKVOAL-NEPJUHHUSA-N 0 3 226.320 0.637 20 0 BCADHN CC[C@@H](C(=O)NCCN(C)C1CC1)[C@@H](C)O ZINC000419891784 192147907 /nfs/dbraw/zinc/14/79/07/192147907.db2.gz NOAHVIUZPXAARV-MWLCHTKSSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)N(C)C)[C@@H](C)O ZINC000419882170 192147933 /nfs/dbraw/zinc/14/79/33/192147933.db2.gz LYXFWOKRPWAHQB-BBBLOLIVSA-N 0 3 216.325 0.460 20 0 BCADHN CC[C@@H](C(=O)NCCN(C)C1CC1)[C@H](C)O ZINC000419891781 192148370 /nfs/dbraw/zinc/14/83/70/192148370.db2.gz NOAHVIUZPXAARV-GXSJLCMTSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCCN(C)[C@@H]1C)[C@H](C)O ZINC000419950337 192151315 /nfs/dbraw/zinc/15/13/15/192151315.db2.gz HCTABOSJHWJKOR-NOOOWODRSA-N 0 3 242.363 0.992 20 0 BCADHN CC(C)[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN ZINC000420004753 192152719 /nfs/dbraw/zinc/15/27/19/192152719.db2.gz BGZLRGKNGLPVDX-VHSXEESVSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H](C(=O)N(C)CCN(C)C1CC1)[C@@H](C)O ZINC000419969434 192153615 /nfs/dbraw/zinc/15/36/15/192153615.db2.gz SGAZDLZYJFFMHZ-PWSUYJOCSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1CC(C)(C)C[C@@H]1C ZINC000420019920 192154006 /nfs/dbraw/zinc/15/40/06/192154006.db2.gz CUMRIFOVNPVROI-IUCAKERBSA-N 0 3 241.335 0.097 20 0 BCADHN CCN(CC1CCC1)C(=O)C(=O)N[C@H](C)CN ZINC000420018384 192154014 /nfs/dbraw/zinc/15/40/14/192154014.db2.gz XXCXMFXHYOPQBE-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN CCC1(C(=O)NC[C@@](C)(O)CCN(C)C)CC1 ZINC000419975645 192154212 /nfs/dbraw/zinc/15/42/12/192154212.db2.gz ASTDEWBXFVNEMW-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN COC[C@](C)(CCO)NCc1cn[nH]c1 ZINC000389896762 538008025 /nfs/dbraw/zinc/00/80/25/538008025.db2.gz ZNSQITFXVBWRRK-JTQLQIEISA-N 0 3 213.281 0.287 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N1C(=O)C(=O)N[C@@H](C)CN ZINC000420035170 192158148 /nfs/dbraw/zinc/15/81/48/192158148.db2.gz YINCIAPUQAAQNF-IVZWLZJFSA-N 0 3 241.335 0.239 20 0 BCADHN CCC1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000420021602 192158802 /nfs/dbraw/zinc/15/88/02/192158802.db2.gz IFOKYVNQHODFQU-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1CCC(C)(C)CC1 ZINC000420032848 192158937 /nfs/dbraw/zinc/15/89/37/192158937.db2.gz VFNYLKBKEWTROX-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@H]2CCNC2=O)[C@H]1SC ZINC000597171457 348668630 /nfs/dbraw/zinc/66/86/30/348668630.db2.gz QYVOWQMQQCPMAA-AXTSPUMRSA-N 0 3 244.360 0.374 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H]1CSC[C@@H]1C ZINC000597188101 348684408 /nfs/dbraw/zinc/68/44/08/348684408.db2.gz UMALTXLUOQZMAQ-AATLWQCWSA-N 0 3 245.344 0.658 20 0 BCADHN COC(=O)[C@H]1C[C@H](NCc2cncn2C)C1 ZINC000597245276 348689088 /nfs/dbraw/zinc/68/90/88/348689088.db2.gz ZPAXAHMVUMVEFG-KYZUINATSA-N 0 3 223.276 0.461 20 0 BCADHN COC(=O)c1cc(CN(C)C2(CO)CC2)c[nH]1 ZINC000597255548 348709567 /nfs/dbraw/zinc/70/95/67/348709567.db2.gz OOTRHNYQHJRWIY-UHFFFAOYSA-N 0 3 238.287 0.758 20 0 BCADHN CS[C@H]1CC[C@@H]1N[C@H]1CCNC1=O ZINC000597255647 348709779 /nfs/dbraw/zinc/70/97/79/348709779.db2.gz XUVQYRRMAKROIO-FXQIFTODSA-N 0 3 200.307 0.359 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N(C)C[C@H]1CCCN1C ZINC000421700461 192373969 /nfs/dbraw/zinc/37/39/69/192373969.db2.gz FAUOXOHWSPBJQE-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(C(=O)CSC)[C@@H]1CCN(C)C1 ZINC000597944991 348847152 /nfs/dbraw/zinc/84/71/52/348847152.db2.gz FXMZSOAGELLLHN-SECBINFHSA-N 0 3 216.350 0.902 20 0 BCADHN CSCCNC(=O)Cc1nc[nH]c1C ZINC000597853935 348826429 /nfs/dbraw/zinc/82/64/29/348826429.db2.gz DZAANCLXWNIQIK-UHFFFAOYSA-N 0 3 213.306 0.740 20 0 BCADHN COCCn1cc(CNCCSC)cn1 ZINC000308846518 348853563 /nfs/dbraw/zinc/85/35/63/348853563.db2.gz AIDNTMMTUSAPNV-UHFFFAOYSA-N 0 3 229.349 0.982 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1ccncc1 ZINC000054074485 348889415 /nfs/dbraw/zinc/88/94/15/348889415.db2.gz NWOGGVOZZCHCPB-VIFPVBQESA-N 0 3 207.277 0.348 20 0 BCADHN CCNC(=O)c1ccc(NC(=O)[C@H](C)NC)cc1 ZINC000054074301 348889499 /nfs/dbraw/zinc/88/94/99/348889499.db2.gz SPMKLQPSVCSPGV-VIFPVBQESA-N 0 3 249.314 0.983 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cccnc1-n1cccn1 ZINC000054074432 348889706 /nfs/dbraw/zinc/88/97/06/348889706.db2.gz ARVAMQOHGDBUJG-VIFPVBQESA-N 0 3 245.286 0.814 20 0 BCADHN COCC[C@H](CO)NCc1ccc(C)nc1 ZINC000300925130 490208708 /nfs/dbraw/zinc/20/87/08/490208708.db2.gz UJUJTJBLGIVJPK-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN CCn1nc(C)cc1NC(=O)C1(N)CC1 ZINC000638701209 352540236 /nfs/dbraw/zinc/54/02/36/352540236.db2.gz ZDTZQGSHKSLLDM-UHFFFAOYSA-N 0 3 208.265 0.641 20 0 BCADHN Cn1ccc(CNC[C@@H](CO)C2CC2)n1 ZINC000308868334 348980447 /nfs/dbraw/zinc/98/04/47/348980447.db2.gz HNEZAXAPSBDNFB-JTQLQIEISA-N 0 3 209.293 0.528 20 0 BCADHN OC[C@H](O)CNCc1cccc2n[nH]cc21 ZINC000623510222 362935643 /nfs/dbraw/zinc/93/56/43/362935643.db2.gz MFUUQVVGZIGHBR-SECBINFHSA-N 0 3 221.260 0.006 20 0 BCADHN CCOC(=O)CCN1CC[C@@H](C)[C@H](CO)C1 ZINC000598645887 349009684 /nfs/dbraw/zinc/00/96/84/349009684.db2.gz PCYZHNIHPNUVEN-MNOVXSKESA-N 0 3 229.320 0.890 20 0 BCADHN CSCCNC(=O)NC[C@@H]1CCCN1C ZINC000598965062 349068824 /nfs/dbraw/zinc/06/88/24/349068824.db2.gz TWBQGYULCABDRQ-VIFPVBQESA-N 0 3 231.365 0.743 20 0 BCADHN CNC(=O)[C@H]1CCCN1CCCCC(=O)OC ZINC000599271247 349136826 /nfs/dbraw/zinc/13/68/26/349136826.db2.gz VVXWIWUFJWPATM-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)C[C@H](O)C1CC1 ZINC000599307583 349143276 /nfs/dbraw/zinc/14/32/76/349143276.db2.gz VIPQUENAKPIQGA-MNOVXSKESA-N 0 3 245.319 0.003 20 0 BCADHN C[C@@H]1CC[C@H](N[C@@H]2COC[C@H]2O)CS1 ZINC000655773204 490229536 /nfs/dbraw/zinc/22/95/36/490229536.db2.gz YFPGVBQASZWQJN-UTINFBMNSA-N 0 3 217.334 0.620 20 0 BCADHN COC(=O)CCCCN1CC[C@@H](O)[C@H](CO)C1 ZINC000599437492 349176778 /nfs/dbraw/zinc/17/67/78/349176778.db2.gz RGFQNQSHZBTXOS-WDEREUQCSA-N 0 3 245.319 0.005 20 0 BCADHN COC(=O)CCCCNC1(C(=O)N(C)C)CC1 ZINC000599438337 349177126 /nfs/dbraw/zinc/17/71/26/349177126.db2.gz XHLWZJLHPSQANN-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN CC1(C)C[C@@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000333815574 538031945 /nfs/dbraw/zinc/03/19/45/538031945.db2.gz QHIYDNLVTSNBCV-IUCAKERBSA-N 0 3 227.308 0.073 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421868292 192396907 /nfs/dbraw/zinc/39/69/07/192396907.db2.gz QGVKXSYJLVYVAJ-AAEUAGOBSA-N 0 3 240.347 0.607 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CNCCO2)C[C@@H](C)S1 ZINC000070651220 490230969 /nfs/dbraw/zinc/23/09/69/490230969.db2.gz GXPMSKBXEJMHPY-MXWKQRLJSA-N 0 3 230.377 0.801 20 0 BCADHN C[C@H]1NCCN(C(=O)NC[C@H]2CCCO2)[C@H]1C ZINC000333789511 538028969 /nfs/dbraw/zinc/02/89/69/538028969.db2.gz MGMNARDAMILEDE-OUAUKWLOSA-N 0 3 241.335 0.557 20 0 BCADHN COC(=O)CCCCN1CC(C)(C(N)=O)C1 ZINC000599455383 349189234 /nfs/dbraw/zinc/18/92/34/349189234.db2.gz NXJHYVWQKZRUJT-UHFFFAOYSA-N 0 3 228.292 0.137 20 0 BCADHN COC(=O)CCCCN1CCOC[C@H](O)C1 ZINC000599432424 349189319 /nfs/dbraw/zinc/18/93/19/349189319.db2.gz SEKMDZVAQUCFSU-SNVBAGLBSA-N 0 3 231.292 0.023 20 0 BCADHN Cc1ccccc1[C@@H](CO)N[C@@H](C)CC(N)=O ZINC000532248501 323212216 /nfs/dbraw/zinc/21/22/16/323212216.db2.gz SJHJGLULCANXJZ-CMPLNLGQSA-N 0 3 236.315 0.882 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)CC1(CO)CC1 ZINC000599381861 349163251 /nfs/dbraw/zinc/16/32/51/349163251.db2.gz CZFAGSFSLZECDX-JTQLQIEISA-N 0 3 245.319 0.005 20 0 BCADHN COC(=O)CN1CCN(C[C@@H]2C[C@H]2C)CC1 ZINC000599380154 349163269 /nfs/dbraw/zinc/16/32/69/349163269.db2.gz CIPZEVJGYQJZPV-MNOVXSKESA-N 0 3 226.320 0.433 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)[C@H]1C[C@@H](OC)C1 ZINC000599415817 349167103 /nfs/dbraw/zinc/16/71/03/349167103.db2.gz RRJVEGCJWVYVPC-GARJFASQSA-N 0 3 245.319 0.410 20 0 BCADHN CCN(CCCCC(=O)OC)[C@H]1CCNC1=O ZINC000599398364 349171746 /nfs/dbraw/zinc/17/17/46/349171746.db2.gz WKBDUQGCVZSAQO-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(C[C@@H](C)OC)C1 ZINC000599561898 349218117 /nfs/dbraw/zinc/21/81/17/349218117.db2.gz DFNGBXZWBIVSGV-MWLCHTKSSA-N 0 3 231.292 0.285 20 0 BCADHN CCC[C@H](O)CN1CC[C@](OC)(C(=O)OC)C1 ZINC000599559750 349218288 /nfs/dbraw/zinc/21/82/88/349218288.db2.gz YVCBSSVKXRXEKR-CMPLNLGQSA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)[C@](C)(O)CN(C1CC1)C1CC1 ZINC000599597854 349223656 /nfs/dbraw/zinc/22/36/56/349223656.db2.gz APVTZRHRUUGDAG-LLVKDONJSA-N 0 3 213.277 0.537 20 0 BCADHN CC(C)SCC(=O)NCCN(C)C ZINC000388765724 362944632 /nfs/dbraw/zinc/94/46/32/362944632.db2.gz FNGJUFRJGFOSOB-UHFFFAOYSA-N 0 3 204.339 0.806 20 0 BCADHN CCNC(=O)CN1CCCCC[C@@H]1CCO ZINC000342028823 538038221 /nfs/dbraw/zinc/03/82/21/538038221.db2.gz FCJSAOQPCHZKFS-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN CC(C)NCC(=O)NCc1ccnn1C ZINC000070905912 490246427 /nfs/dbraw/zinc/24/64/27/490246427.db2.gz PNPVLWOICSDDQB-UHFFFAOYSA-N 0 3 210.281 0.034 20 0 BCADHN CC(C)CN1CCN(C[C@@H](C)O)CC1 ZINC000055080442 349281732 /nfs/dbraw/zinc/28/17/32/349281732.db2.gz FCDJXTSFXUWSEV-LLVKDONJSA-N 0 3 200.326 0.641 20 0 BCADHN C[C@@H](CN)N(C)C(=O)C(=O)c1ccc[nH]1 ZINC000623057839 349358701 /nfs/dbraw/zinc/35/87/01/349358701.db2.gz IFAXXOXMRKXGBF-ZETCQYMHSA-N 0 3 209.249 0.003 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000388649397 349308627 /nfs/dbraw/zinc/30/86/27/349308627.db2.gz DNODOHRIENJWEJ-HBNTYKKESA-N 0 3 228.336 0.901 20 0 BCADHN O=C(CN[C@@H]1CCCOC1)NCC(F)(F)F ZINC000071012970 490252658 /nfs/dbraw/zinc/25/26/58/490252658.db2.gz KWBBXEGYJFTUPJ-SSDOTTSWSA-N 0 3 240.225 0.434 20 0 BCADHN CCN(CC)CC(=O)NC[C@@]1(O)CCSC1 ZINC000082966702 349370852 /nfs/dbraw/zinc/37/08/52/349370852.db2.gz WAZDKRJUCOLFOL-NSHDSACASA-N 0 3 246.376 0.312 20 0 BCADHN NC[C@H](NC(=O)C(=O)c1ccc[nH]1)C1CC1 ZINC000623059591 349386077 /nfs/dbraw/zinc/38/60/77/349386077.db2.gz ZEMSEPCKCLLYIT-VIFPVBQESA-N 0 3 221.260 0.051 20 0 BCADHN C[C@H]1C[C@H](NC(=O)NC2(C)COC2)CCN1C ZINC000636848621 350012000 /nfs/dbraw/zinc/01/20/00/350012000.db2.gz YUGPYTDPLCOVES-VHSXEESVSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)NC2(C)COC2)CCN1C ZINC000636848622 350012380 /nfs/dbraw/zinc/01/23/80/350012380.db2.gz YUGPYTDPLCOVES-ZJUUUORDSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@H](N)C(=O)N1CCCC[C@H]1C(F)F ZINC000638703462 352541420 /nfs/dbraw/zinc/54/14/20/352541420.db2.gz IDNAGIMYXQMORD-BQBZGAKWSA-N 0 3 206.236 0.980 20 0 BCADHN C[C@@H](N)C(=O)N1CCc2ccccc2CC1 ZINC000070620779 350030357 /nfs/dbraw/zinc/03/03/57/350030357.db2.gz LSCDFMVLTXOFCE-SNVBAGLBSA-N 0 3 218.300 0.961 20 0 BCADHN COC(=O)[C@@H](C1CC1)N1C[C@@H]2COC[C@@H]2C1 ZINC000601974634 349410110 /nfs/dbraw/zinc/41/01/10/349410110.db2.gz UEGZOLGMEDLIBC-OUAUKWLOSA-N 0 3 225.288 0.516 20 0 BCADHN C[C@@H](CO)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000091227467 191003129 /nfs/dbraw/zinc/00/31/29/191003129.db2.gz OAKYIACTSKDGEN-GUBZILKMSA-N 0 3 241.335 0.292 20 0 BCADHN CN1CC[C@H](c2nc(Cn3cccn3)no2)C1 ZINC000603782112 350031038 /nfs/dbraw/zinc/03/10/38/350031038.db2.gz CKCDAIWEWMQZFB-VIFPVBQESA-N 0 3 233.275 0.734 20 0 BCADHN CO[C@@H]1CCCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000076245032 190991797 /nfs/dbraw/zinc/99/17/97/190991797.db2.gz YYBXJUWBSXFUKH-RKDXNWHRSA-N 0 3 249.332 0.057 20 0 BCADHN COC(=O)c1ccc(CNC[C@@H](C)OC)n1C ZINC000602018205 349418253 /nfs/dbraw/zinc/41/82/53/349418253.db2.gz XDCSXDSYZQIADI-SECBINFHSA-N 0 3 240.303 0.936 20 0 BCADHN COC(=O)CCCC(=O)N1CCCN(C)CC1 ZINC000602032448 349421191 /nfs/dbraw/zinc/42/11/91/349421191.db2.gz WRLFZCLJUSVIPA-UHFFFAOYSA-N 0 3 242.319 0.494 20 0 BCADHN CNC(=O)N[C@H]1CCN([C@@H](C)CCOC)C1 ZINC000342337155 538046996 /nfs/dbraw/zinc/04/69/96/538046996.db2.gz KONOJUFRVKTYAL-UWVGGRQHSA-N 0 3 229.324 0.415 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)c1ncon1 ZINC000125492634 191006523 /nfs/dbraw/zinc/00/65/23/191006523.db2.gz DKZOPAHANNFQKD-YUMQZZPRSA-N 0 3 226.280 0.620 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CSCCN2)CO1 ZINC000402230537 350082060 /nfs/dbraw/zinc/08/20/60/350082060.db2.gz URXFATLTDIQTPA-OPRDCNLKSA-N 0 3 244.360 0.375 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C[C@H]2CSCCN2)CO1 ZINC000402230539 350082163 /nfs/dbraw/zinc/08/21/63/350082163.db2.gz URXFATLTDIQTPA-UTLUCORTSA-N 0 3 244.360 0.375 20 0 BCADHN C[C@H](CC(N)=O)NCc1ccc(=O)[nH]c1 ZINC000631093278 350056905 /nfs/dbraw/zinc/05/69/05/350056905.db2.gz JNNLQURNWXVWTP-SSDOTTSWSA-N 0 3 209.249 0.141 20 0 BCADHN CC(C)(N)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000658963325 490292405 /nfs/dbraw/zinc/29/24/05/490292405.db2.gz NUTDKVXGBSNRMA-RKDXNWHRSA-N 0 3 212.293 0.219 20 0 BCADHN CN(C)C[C@H]1CCCN1c1ccc(C#N)nn1 ZINC000397058641 350072361 /nfs/dbraw/zinc/07/23/61/350072361.db2.gz ZWRAGXCHUVZOTI-LLVKDONJSA-N 0 3 231.303 0.879 20 0 BCADHN CCC[C@@H](O)CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000604178853 350085282 /nfs/dbraw/zinc/08/52/82/350085282.db2.gz HULYURFRMSMEED-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN CN(C)CCNC(=O)NCc1ccncc1 ZINC000074753401 490307625 /nfs/dbraw/zinc/30/76/25/490307625.db2.gz FAGIUXHOCAODSN-UHFFFAOYSA-N 0 3 222.292 0.442 20 0 BCADHN Cc1nc(NC2CCN(C)CC2)cc2nncn21 ZINC000298211607 180015804 /nfs/dbraw/zinc/01/58/04/180015804.db2.gz JBERDKRYDIOIIF-UHFFFAOYSA-N 0 3 246.318 0.939 20 0 BCADHN CCN1CCN(CCNC(=O)CSC)CC1 ZINC000042589877 323250561 /nfs/dbraw/zinc/25/05/61/323250561.db2.gz DRLNAGDHWZTZDU-UHFFFAOYSA-N 0 3 245.392 0.103 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1C)c1ccnn1C ZINC000624176769 350128495 /nfs/dbraw/zinc/12/84/95/350128495.db2.gz RTASRUURZADSDQ-WDEREUQCSA-N 0 3 238.335 0.401 20 0 BCADHN COC[C@@H](O)CCN[C@@H](C)c1nccnc1C ZINC000219212389 350117850 /nfs/dbraw/zinc/11/78/50/350117850.db2.gz BGZRUNNNFFKVIL-ONGXEEELSA-N 0 3 239.319 0.833 20 0 BCADHN CC(C)(O)CN[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000132162564 191026682 /nfs/dbraw/zinc/02/66/82/191026682.db2.gz REVNISUVQWEWRQ-VHSXEESVSA-N 0 3 249.376 0.703 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@H]1CCCN1C ZINC000132125528 191024840 /nfs/dbraw/zinc/02/48/40/191024840.db2.gz BJBVRSZUIPYPOO-GHMZBOCLSA-N 0 3 248.392 0.493 20 0 BCADHN COC[C@@](C)(CCO)NCCOC(C)C ZINC000132554828 191033919 /nfs/dbraw/zinc/03/39/19/191033919.db2.gz ISKDFEKKEBBSBU-LLVKDONJSA-N 0 3 219.325 0.789 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000402300654 350133778 /nfs/dbraw/zinc/13/37/78/350133778.db2.gz JMYMHMHVQKIQPE-VGMNWLOBSA-N 0 3 200.282 0.263 20 0 BCADHN Cc1nc2cc(NC(=O)CN)ccc2n1C ZINC000077326263 180081147 /nfs/dbraw/zinc/08/11/47/180081147.db2.gz KTMQWUQGLHKVGW-UHFFFAOYSA-N 0 3 218.260 0.779 20 0 BCADHN Cc1nc2ccc(N3CCCN(C)CC3)nn2n1 ZINC000287085367 180093388 /nfs/dbraw/zinc/09/33/88/180093388.db2.gz UJMYTZKIGMSRME-UHFFFAOYSA-N 0 3 246.318 0.575 20 0 BCADHN Cc1nc2ccc(N[C@@H](C)CN(C)C)nn2n1 ZINC000286551451 180096163 /nfs/dbraw/zinc/09/61/63/180096163.db2.gz WIEXYQQCGGBFDX-QMMMGPOBSA-N 0 3 234.307 0.795 20 0 BCADHN Cc1nc2ccccn2c1CNCCOCCO ZINC000037239905 180106874 /nfs/dbraw/zinc/10/68/74/180106874.db2.gz NMYSJEDBOORICU-UHFFFAOYSA-N 0 3 249.314 0.741 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCC[C@H]1CCO ZINC000304571121 350157622 /nfs/dbraw/zinc/15/76/22/350157622.db2.gz PCIRYYLMCDRDIH-QWRGUYRKSA-N 0 3 245.319 0.147 20 0 BCADHN CSCC[C@H](CO)NCc1cncn1C ZINC000133211346 191039619 /nfs/dbraw/zinc/03/96/19/191039619.db2.gz AGAAOENUTAINDU-SECBINFHSA-N 0 3 229.349 0.624 20 0 BCADHN COCC(C)(C)CN1CCCN(C(N)=O)CC1 ZINC000426415608 191043869 /nfs/dbraw/zinc/04/38/69/191043869.db2.gz DOABUZFEVKEGEL-UHFFFAOYSA-N 0 3 243.351 0.745 20 0 BCADHN c1cc(CNC[C@H]2COCCN2)ccn1 ZINC000220237402 350167457 /nfs/dbraw/zinc/16/74/57/350167457.db2.gz BXQXLSINCVBNLV-NSHDSACASA-N 0 3 207.277 0.160 20 0 BCADHN O=C([C@H]1CCCN1C1CC1)N1CC(CCO)C1 ZINC000427096741 191052450 /nfs/dbraw/zinc/05/24/50/191052450.db2.gz LAPXJTQZCUGLAF-GFCCVEGCSA-N 0 3 238.331 0.454 20 0 BCADHN CN1CC[C@H](CNC(=O)c2nccs2)C1 ZINC000221783702 490362967 /nfs/dbraw/zinc/36/29/67/490362967.db2.gz OXRQRMXJDRRKNB-MRVPVSSYSA-N 0 3 225.317 0.825 20 0 BCADHN CCN(CC)CC(=O)NC[C@H]1CCCN1CC ZINC000068015677 350179313 /nfs/dbraw/zinc/17/93/13/350179313.db2.gz JKJGMIWHVKLWAO-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H]1CCCN1CC ZINC000068015678 350179438 /nfs/dbraw/zinc/17/94/38/350179438.db2.gz JKJGMIWHVKLWAO-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CSC1(CNC(=O)[C@@H](C)O)CCN(C)CC1 ZINC000427193839 191057169 /nfs/dbraw/zinc/05/71/69/191057169.db2.gz VVIDPYUBINZREA-SECBINFHSA-N 0 3 246.376 0.311 20 0 BCADHN CN(C(=O)Cc1cc[nH]n1)C1CCN(C)CC1 ZINC000096784891 191057691 /nfs/dbraw/zinc/05/76/91/191057691.db2.gz BCDHTLMINPBJOG-UHFFFAOYSA-N 0 3 236.319 0.505 20 0 BCADHN CCO[C@@H]1COCC[C@H]1NCc1n[nH]c(C)n1 ZINC000428430772 191059042 /nfs/dbraw/zinc/05/90/42/191059042.db2.gz PBRJEGBLRGIWRZ-NXEZZACHSA-N 0 3 240.307 0.397 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@](C)(CO)C(C)C ZINC000427364192 191060577 /nfs/dbraw/zinc/06/05/77/191060577.db2.gz DCIIXDMOHBBFFY-GFCCVEGCSA-N 0 3 239.319 0.784 20 0 BCADHN Cc1ncc(C(=O)N2CCCNCC2)s1 ZINC000082239562 180125537 /nfs/dbraw/zinc/12/55/37/180125537.db2.gz BTGYUXMGAXJWNE-UHFFFAOYSA-N 0 3 225.317 0.887 20 0 BCADHN Cc1nc(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)c[nH]1 ZINC000362255388 180126551 /nfs/dbraw/zinc/12/65/51/180126551.db2.gz GZYFGKVXFJCEBU-PWSUYJOCSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1ncc(C(=O)N2C[C@@H](C)NC[C@H]2C)c(C)n1 ZINC000356918534 180127341 /nfs/dbraw/zinc/12/73/41/180127341.db2.gz LXCBKFUBXVVZMI-RKDXNWHRSA-N 0 3 248.330 0.916 20 0 BCADHN CN(C[C@@H](O)C(F)(F)F)C[C@@H]1CCCN1C ZINC000220960711 350192301 /nfs/dbraw/zinc/19/23/01/350192301.db2.gz POFAIZREDLXRRI-DTWKUNHWSA-N 0 3 240.269 0.936 20 0 BCADHN Cc1ncc(CN[C@@H](C)[C@H](C)CO)cn1 ZINC000336770730 180154133 /nfs/dbraw/zinc/15/41/33/180154133.db2.gz WXAXIFMXDKACIN-BDAKNGLRSA-N 0 3 209.293 0.892 20 0 BCADHN Cc1ncc(CN[C@H](C)CN2CCCC2=O)cn1 ZINC000339211293 180155850 /nfs/dbraw/zinc/15/58/50/180155850.db2.gz XXMLXJQPUCAWFI-SNVBAGLBSA-N 0 3 248.330 0.886 20 0 BCADHN Cc1ncc(C[NH2+][C@@H]2CCO[C@H]2C)c(=O)[n-]1 ZINC000309943469 180156850 /nfs/dbraw/zinc/15/68/50/180156850.db2.gz CMRYOQTTXHGPIP-OIBJUYFYSA-N 0 3 223.276 0.758 20 0 BCADHN CC(=O)CCN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374533355 191064770 /nfs/dbraw/zinc/06/47/70/191064770.db2.gz GJVGZEWXAJOMHR-SNVBAGLBSA-N 0 3 222.292 0.963 20 0 BCADHN Cc1ncc(CN[C@H](CO)C(C)C)cn1 ZINC000336759367 180157769 /nfs/dbraw/zinc/15/77/69/180157769.db2.gz LGWITJSTCNUTIM-LLVKDONJSA-N 0 3 209.293 0.892 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCCCO1 ZINC000042823086 191067288 /nfs/dbraw/zinc/06/72/88/191067288.db2.gz DAXOSKLEYZHEGU-UWVGGRQHSA-N 0 3 214.309 0.655 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)s1 ZINC000226709414 180172512 /nfs/dbraw/zinc/17/25/12/180172512.db2.gz XJCSTJJXIYGVFY-ZETCQYMHSA-N 0 3 247.345 0.092 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N(C)CC1CCCC1 ZINC000049492080 191071160 /nfs/dbraw/zinc/07/11/60/191071160.db2.gz NYBGRYOCKFFQRB-VIFPVBQESA-N 0 3 241.335 0.953 20 0 BCADHN CCC[C@H](N)c1cn(CC(=O)NC(C)C)nn1 ZINC000229956110 490370980 /nfs/dbraw/zinc/37/09/80/490370980.db2.gz LLBKDPDRWVGJKT-VIFPVBQESA-N 0 3 239.323 0.603 20 0 BCADHN Cc1ncc(CNC[C@@]2(O)CCN(C)C2)s1 ZINC000336762175 180152297 /nfs/dbraw/zinc/15/22/97/180152297.db2.gz LESHCCMCJGRWHH-NSHDSACASA-N 0 3 241.360 0.608 20 0 BCADHN Cc1ncc(CNC[C@@H]2COCCO2)s1 ZINC000037998280 180152656 /nfs/dbraw/zinc/15/26/56/180152656.db2.gz VYGDIHZJDLSHIB-SECBINFHSA-N 0 3 228.317 0.957 20 0 BCADHN CCC[C@@H](CCO)NC(=O)N[C@@H](C)CN(C)C ZINC000637147477 350220196 /nfs/dbraw/zinc/22/01/96/350220196.db2.gz OPOWPWSLORNTFP-QWRGUYRKSA-N 0 3 245.367 0.787 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@H]1C[C@@H](O)C1 ZINC000637145793 350222481 /nfs/dbraw/zinc/22/24/81/350222481.db2.gz OLTUTNUPSRKISK-LPEHRKFASA-N 0 3 229.324 0.007 20 0 BCADHN Cc1ncc2c(n1)CC[C@@H](NC1COC1)C2 ZINC000309883787 180177459 /nfs/dbraw/zinc/17/74/59/180177459.db2.gz XAEFAJZEZSHRNZ-SNVBAGLBSA-N 0 3 219.288 0.631 20 0 BCADHN CCS(=O)(=O)CCCNCc1cnn(C)c1 ZINC000083441534 350212723 /nfs/dbraw/zinc/21/27/23/350212723.db2.gz RLQCYSWOTJLMBC-UHFFFAOYSA-N 0 3 245.348 0.335 20 0 BCADHN Cc1nccc(CNC(=O)C(N)C(F)(F)F)n1 ZINC000353129382 180188108 /nfs/dbraw/zinc/18/81/08/180188108.db2.gz MQOAJWPEDIIGMQ-ZETCQYMHSA-N 0 3 248.208 0.291 20 0 BCADHN Cc1ncccc1CC(=O)NCCN(C)C ZINC000286151022 180216452 /nfs/dbraw/zinc/21/64/52/180216452.db2.gz NOSCCZQPJWMKRY-UHFFFAOYSA-N 0 3 221.304 0.610 20 0 BCADHN Cc1ncccc1CNC[C@]1(O)CCOC1 ZINC000126192705 180222746 /nfs/dbraw/zinc/22/27/46/180222746.db2.gz RLXCOXQDEOPTRB-GFCCVEGCSA-N 0 3 222.288 0.631 20 0 BCADHN Cc1ncccc1NC(=O)C[C@H]1CNCCO1 ZINC000091496993 180225239 /nfs/dbraw/zinc/22/52/39/180225239.db2.gz ZXSVENYRIYQQOS-JTQLQIEISA-N 0 3 235.287 0.707 20 0 BCADHN Cc1nccn1-c1ncccc1NC(=O)[C@H](C)N ZINC000037765511 180231088 /nfs/dbraw/zinc/23/10/88/180231088.db2.gz RNNVDMBQFVGIJB-QMMMGPOBSA-N 0 3 245.286 0.861 20 0 BCADHN Cc1nccn1CCCN(C)CC1OCCO1 ZINC000272248081 180235852 /nfs/dbraw/zinc/23/58/52/180235852.db2.gz KQEXMAMWGRVSAY-UHFFFAOYSA-N 0 3 239.319 0.886 20 0 BCADHN Cc1nccn1CCCN(C)CCn1cncn1 ZINC000269672299 180237108 /nfs/dbraw/zinc/23/71/08/180237108.db2.gz BBGODUIHDGNQPS-UHFFFAOYSA-N 0 3 248.334 0.805 20 0 BCADHN Cc1nccn1CCCN(C)[C@@H](C)C(N)=O ZINC000179493788 180237791 /nfs/dbraw/zinc/23/77/91/180237791.db2.gz AEHFWMKSFVURJW-VIFPVBQESA-N 0 3 224.308 0.387 20 0 BCADHN Cc1nccn1CCCN1CCN(C)CC1 ZINC000270654616 180238652 /nfs/dbraw/zinc/23/86/52/180238652.db2.gz PGKJZNWRGLKLML-UHFFFAOYSA-N 0 3 222.336 0.829 20 0 BCADHN Cc1nccn1CCN(C)Cc1nnc[nH]1 ZINC000336697116 180249293 /nfs/dbraw/zinc/24/92/93/180249293.db2.gz HTCRMDQGKIDXQE-UHFFFAOYSA-N 0 3 220.280 0.442 20 0 BCADHN Cc1nccn1CCN1CCC[C@@]12CCOC2=O ZINC000275104542 180251831 /nfs/dbraw/zinc/25/18/31/180251831.db2.gz LRCBXSPFJZAXSX-ZDUSSCGKSA-N 0 3 249.314 0.973 20 0 BCADHN CC(C)N1CCC[C@H](NC(=O)C(C)(C)O)C1 ZINC000427703993 191089147 /nfs/dbraw/zinc/08/91/47/191089147.db2.gz BHULYKGDNMHIEE-JTQLQIEISA-N 0 3 228.336 0.746 20 0 BCADHN Cc1nccn1CCNC(=O)[C@H](N)CC(C)C ZINC000310249747 180258894 /nfs/dbraw/zinc/25/88/94/180258894.db2.gz VZYGATVPBLEXLP-LLVKDONJSA-N 0 3 238.335 0.681 20 0 BCADHN Cc1nccn1CCCN1CC[C@@](F)(CO)C1 ZINC000338590799 180241458 /nfs/dbraw/zinc/24/14/58/180241458.db2.gz YOSZBRKFNYHTIR-LBPRGKRZSA-N 0 3 241.310 0.988 20 0 BCADHN Cc1nccn1CCCNC(=O)c1ncn[nH]1 ZINC000269425943 180243890 /nfs/dbraw/zinc/24/38/90/180243890.db2.gz JEHYDMWRZAOBMU-UHFFFAOYSA-N 0 3 234.263 0.130 20 0 BCADHN Cc1nccn1CCCNC(=O)c1nc[nH]n1 ZINC000269425943 180243892 /nfs/dbraw/zinc/24/38/92/180243892.db2.gz JEHYDMWRZAOBMU-UHFFFAOYSA-N 0 3 234.263 0.130 20 0 BCADHN Cc1nccnc1N1CCCN(CCO)CC1 ZINC000214370452 180274510 /nfs/dbraw/zinc/27/45/10/180274510.db2.gz MRXPGWJNRNKTHW-UHFFFAOYSA-N 0 3 236.319 0.289 20 0 BCADHN CCN1CCN(CCCCO)C[C@H]1C ZINC000252418981 538087989 /nfs/dbraw/zinc/08/79/89/538087989.db2.gz XOUSGQBQHRAZSW-LLVKDONJSA-N 0 3 200.326 0.785 20 0 BCADHN CNS(=O)(=O)CCN(C(C)C)C1CCC1 ZINC000621267161 350264998 /nfs/dbraw/zinc/26/49/98/350264998.db2.gz OSTZBDQNDXVGPZ-UHFFFAOYSA-N 0 3 234.365 0.799 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](CO)[C@H]1C ZINC000427824566 191092719 /nfs/dbraw/zinc/09/27/19/191092719.db2.gz HZFNMNJMTSKWFC-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H]1[C@H](CO)CCN1C(=O)[C@H]1CCCN1C ZINC000427834164 191094108 /nfs/dbraw/zinc/09/41/08/191094108.db2.gz JBZQOUNAOOTDDL-OUAUKWLOSA-N 0 3 226.320 0.310 20 0 BCADHN CN(C(=O)C(C)(C)O)[C@@H]1CCN(C2CC2)C1 ZINC000427844642 191094282 /nfs/dbraw/zinc/09/42/82/191094282.db2.gz VUFPVSVEWMHEDC-SNVBAGLBSA-N 0 3 226.320 0.452 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCc1nc(C)no1 ZINC000038035030 350300235 /nfs/dbraw/zinc/30/02/35/350300235.db2.gz BJIFAXGGJDZIGI-HZGVNTEJSA-N 0 3 226.280 0.368 20 0 BCADHN Cc1ncncc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000408226131 180294332 /nfs/dbraw/zinc/29/43/32/180294332.db2.gz LZDSKBHVVPWAOS-MWLCHTKSSA-N 0 3 248.330 0.998 20 0 BCADHN CC(C)C[C@H](CO)N[C@@H]1CCCS(=O)(=O)C1 ZINC000068940121 350313717 /nfs/dbraw/zinc/31/37/17/350313717.db2.gz ZHCOFWALHKOZDI-GHMZBOCLSA-N 0 3 249.376 0.560 20 0 BCADHN CCOC[C@H](O)CNCc1ccncc1 ZINC000068950928 350314207 /nfs/dbraw/zinc/31/42/07/350314207.db2.gz UOAJTARMPVQSIB-LLVKDONJSA-N 0 3 210.277 0.569 20 0 BCADHN CN1CCN(C(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000618561399 350319451 /nfs/dbraw/zinc/31/94/51/350319451.db2.gz YKCVAQYJBOOIGV-LLVKDONJSA-N 0 3 240.351 0.038 20 0 BCADHN COC(=O)[C@@H]1CN(Cc2cn[nH]c2)C[C@H]1C ZINC000309339789 350322285 /nfs/dbraw/zinc/32/22/85/350322285.db2.gz WPHANGSFBMBMLK-PSASIEDQSA-N 0 3 223.276 0.651 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCc2ccccc21 ZINC000050456654 350342304 /nfs/dbraw/zinc/34/23/04/350342304.db2.gz QNMLSDISIJMQNE-VHSXEESVSA-N 0 3 202.257 0.923 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CC(C)(C)O1 ZINC000050465554 350343598 /nfs/dbraw/zinc/34/35/98/350343598.db2.gz GDMYLGMIBUZSGM-YIZRAAEISA-N 0 3 212.293 0.360 20 0 BCADHN COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1C[C@@H]1N ZINC000050465323 350343682 /nfs/dbraw/zinc/34/36/82/350343682.db2.gz ZWQTYHBGLQACGD-HRDYMLBCSA-N 0 3 228.292 0.038 20 0 BCADHN CC(C(=O)N[C@]12C[C@H]1CCC2)S(C)(=O)=O ZINC000617202677 350346664 /nfs/dbraw/zinc/34/66/64/350346664.db2.gz RNPNECVWLLLPTM-NQMVMOMDSA-N 0 3 231.317 0.478 20 0 BCADHN Cc1ncoc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000336155899 180298243 /nfs/dbraw/zinc/29/82/43/180298243.db2.gz KVEHGOBMCAPVNT-IONNQARKSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1ncoc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000162374323 180298452 /nfs/dbraw/zinc/29/84/52/180298452.db2.gz AYHBOQKERWNUPO-SFYZADRCSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1ncoc1C(=O)NCCN(C)C1CC1 ZINC000353735659 180299058 /nfs/dbraw/zinc/29/90/58/180299058.db2.gz IZZRKFHHUTXKMP-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN CCc1cc(CNC(=O)[C@H](N)CC)on1 ZINC000309385660 350366377 /nfs/dbraw/zinc/36/63/77/350366377.db2.gz FBTDEDVMMYCDNN-SECBINFHSA-N 0 3 211.265 0.591 20 0 BCADHN C[C@H](NC(=O)NC[C@H]1CCCN1C)C(C)(C)O ZINC000606658471 350406067 /nfs/dbraw/zinc/40/60/67/350406067.db2.gz IJXZZATVZVXQAG-VHSXEESVSA-N 0 3 243.351 0.539 20 0 BCADHN CC1(C)OCC[C@H]1N[C@H]1CCCS(=O)(=O)C1 ZINC000328259559 350395351 /nfs/dbraw/zinc/39/53/51/350395351.db2.gz RDIMTJVVSZUJKM-VHSXEESVSA-N 0 3 247.360 0.721 20 0 BCADHN CCN1CC[C@@H](NC[C@H](O)C(F)(F)F)C1 ZINC000328463667 350397790 /nfs/dbraw/zinc/39/77/90/350397790.db2.gz IJVRJTZCGRHTDJ-SFYZADRCSA-N 0 3 226.242 0.593 20 0 BCADHN CC[C@@H](COC)NC(=O)N[C@H]1CCCN(C)C1 ZINC000606650280 350401930 /nfs/dbraw/zinc/40/19/30/350401930.db2.gz GWVHCVYSUACTTK-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN Cc1nn(C)c(C)c1NC(=O)CNC(C)C ZINC000040419241 180343101 /nfs/dbraw/zinc/34/31/01/180343101.db2.gz YDYBWBHMOXGYKQ-UHFFFAOYSA-N 0 3 224.308 0.973 20 0 BCADHN Cc1nn(C)c(C)c1NC(=O)[C@@H]1C[C@@H]1N ZINC000050461000 180344281 /nfs/dbraw/zinc/34/42/81/180344281.db2.gz KHYRWWKVUQSXDN-SFYZADRCSA-N 0 3 208.265 0.323 20 0 BCADHN C[C@@H]1C[C@H](NCC(=O)NCC2CC2)CCO1 ZINC000226515297 350436971 /nfs/dbraw/zinc/43/69/71/350436971.db2.gz KDWAEYNTIWVAGZ-MWLCHTKSSA-N 0 3 226.320 0.670 20 0 BCADHN Cc1nn(C)c(Cl)c1C(=O)NCCN(C)C ZINC000066345834 180349568 /nfs/dbraw/zinc/34/95/68/180349568.db2.gz OQOAGAUOVHQMMT-UHFFFAOYSA-N 0 3 244.726 0.673 20 0 BCADHN Cc1nn(C)cc1CNC[C@H](C)CCO ZINC000126063547 187449200 /nfs/dbraw/zinc/44/92/00/187449200.db2.gz HSGZXLBVDFUFBG-SECBINFHSA-N 0 3 211.309 0.837 20 0 BCADHN CC(C)CN(C)CCNS(C)(=O)=O ZINC000336642519 350413507 /nfs/dbraw/zinc/41/35/07/350413507.db2.gz AUOLCRMCMBUFIF-UHFFFAOYSA-N 0 3 208.327 0.123 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000226320989 350418118 /nfs/dbraw/zinc/41/81/18/350418118.db2.gz NXGZGEQUASNOKH-PHDIDXHHSA-N 0 3 242.241 0.399 20 0 BCADHN CCCNS(=O)(=O)N1CCNC[C@H]1CCC ZINC000427928404 191102545 /nfs/dbraw/zinc/10/25/45/191102545.db2.gz CTDNSBOUHDISBM-SNVBAGLBSA-N 0 3 249.380 0.305 20 0 BCADHN Cc1nn(C)c(C)c1CNCCC(=O)N(C)C ZINC000037751714 180340564 /nfs/dbraw/zinc/34/05/64/180340564.db2.gz DALDPJXXPGTFQX-UHFFFAOYSA-N 0 3 238.335 0.605 20 0 BCADHN Cc1nn(C)cc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262794972 180366345 /nfs/dbraw/zinc/36/63/45/180366345.db2.gz OCADNKPTAXKMBN-WCBMZHEXSA-N 0 3 236.319 0.551 20 0 BCADHN CC[C@@H]1CCCN1CCS(=O)(=O)N(C)C ZINC000336706110 350457217 /nfs/dbraw/zinc/45/72/17/350457217.db2.gz REIZQMFGYURPLT-SNVBAGLBSA-N 0 3 234.365 0.752 20 0 BCADHN Cc1nn(C)cc1C(=O)NC[C@H]1CCN(C)C1 ZINC000113153186 180368300 /nfs/dbraw/zinc/36/83/00/180368300.db2.gz CSXICJDYUYIYLH-SNVBAGLBSA-N 0 3 236.319 0.410 20 0 BCADHN Cc1nn(C)cc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000227355693 180368433 /nfs/dbraw/zinc/36/84/33/180368433.db2.gz ATGSGZKYPHBYIG-BDAKNGLRSA-N 0 3 236.319 0.551 20 0 BCADHN Cc1nn(C)cc1C(=O)NCCN(C)C1CC1 ZINC000264845392 180368474 /nfs/dbraw/zinc/36/84/74/180368474.db2.gz ASRKXRIYTKVVJM-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN Cc1nn(C)cc1C(=O)NC1CCN(C)CC1 ZINC000113413946 180368545 /nfs/dbraw/zinc/36/85/45/180368545.db2.gz HVAZUJKTMQBKRW-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN Cc1nn(C)cc1CN(C)CCN(C)C ZINC000289934126 180372893 /nfs/dbraw/zinc/37/28/93/180372893.db2.gz WPFYTIIKGSKIER-UHFFFAOYSA-N 0 3 210.325 0.722 20 0 BCADHN CC(C)CN1CCN(C[C@H]2COCCO2)CC1 ZINC000336714380 350465931 /nfs/dbraw/zinc/46/59/31/350465931.db2.gz TUPHQJKKUIGZAP-ZDUSSCGKSA-N 0 3 242.363 0.675 20 0 BCADHN CCN1CCN(CCCc2nc(C)no2)CC1 ZINC000336684199 350440243 /nfs/dbraw/zinc/44/02/43/350440243.db2.gz DUUGVDDIBSDWFL-UHFFFAOYSA-N 0 3 238.335 0.948 20 0 BCADHN Cc1nn(C)c2c1N(C(=O)[C@H](C)N)CCS2 ZINC000371488104 180361122 /nfs/dbraw/zinc/36/11/22/180361122.db2.gz IYUYIBPAWRJCOT-LURJTMIESA-N 0 3 240.332 0.514 20 0 BCADHN Cc1nn(C)cc1CN[C@H]1C[C@H](O)C1(C)C ZINC000163465109 180374605 /nfs/dbraw/zinc/37/46/05/180374605.db2.gz WTIGVVIDMSVCOQ-QWRGUYRKSA-N 0 3 223.320 0.978 20 0 BCADHN Cc1nn(C)cc1CN[C@H](C)CC[S@@](C)=O ZINC000160164140 180375356 /nfs/dbraw/zinc/37/53/56/180375356.db2.gz QMHZKDRMZBCVNR-ABKXIKBNSA-N 0 3 243.376 0.975 20 0 BCADHN Cc1nn(C)cc1CN[C@@]1(CCO)CCOC1 ZINC000278505582 180376484 /nfs/dbraw/zinc/37/64/84/180376484.db2.gz OSLQYTJIABCMRW-LBPRGKRZSA-N 0 3 239.319 0.360 20 0 BCADHN Cc1nn(C)cc1[C@@H]1CCCN1CCO ZINC000363919730 180380568 /nfs/dbraw/zinc/38/05/68/180380568.db2.gz GZJQKLYNFUIQOZ-NSHDSACASA-N 0 3 209.293 0.858 20 0 BCADHN C[C@H](NC(=O)NCCN(C)C1CC1)C(C)(C)O ZINC000606686908 350485640 /nfs/dbraw/zinc/48/56/40/350485640.db2.gz DHTVIRBPFPHUDG-VIFPVBQESA-N 0 3 243.351 0.539 20 0 BCADHN CCOC(=O)COCCN1CCC[C@](C)(O)C1 ZINC000163297876 350514894 /nfs/dbraw/zinc/51/48/94/350514894.db2.gz PQFXAZQUIANPAA-LBPRGKRZSA-N 0 3 245.319 0.413 20 0 BCADHN COCCOCCN1CCC[C@H](CO)C1 ZINC000070029786 350495094 /nfs/dbraw/zinc/49/50/94/350495094.db2.gz VOBUIRVNNHBJRE-NSHDSACASA-N 0 3 217.309 0.354 20 0 BCADHN CCOC(=O)CCN1CCCOCC1 ZINC000059994875 350496557 /nfs/dbraw/zinc/49/65/57/350496557.db2.gz LPJNXHNMNONTSY-UHFFFAOYSA-N 0 3 201.266 0.662 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NCC1(CO)CC1 ZINC000637380770 350501321 /nfs/dbraw/zinc/50/13/21/350501321.db2.gz BPDHAVCNSVQAQU-SNVBAGLBSA-N 0 3 241.335 0.152 20 0 BCADHN O=S1(=O)CCC[C@@H](N[C@@H]2CC23CC3)C1 ZINC000335277518 538094401 /nfs/dbraw/zinc/09/44/01/538094401.db2.gz IWAZPRDKYQZAAL-RKDXNWHRSA-N 0 3 215.318 0.706 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCCN1CC(=O)N(C)C ZINC000163111344 350505905 /nfs/dbraw/zinc/50/59/05/350505905.db2.gz HNOKPFGKTDBWDU-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@](C)(CC)CO ZINC000577506314 365972022 /nfs/dbraw/zinc/97/20/22/365972022.db2.gz RNGBARSZIYYLFZ-DGCLKSJQSA-N 0 3 242.363 0.996 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@@](C)(CC)CO ZINC000577506313 365972178 /nfs/dbraw/zinc/97/21/78/365972178.db2.gz RNGBARSZIYYLFZ-AAEUAGOBSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1nnc(C(=O)NCCN(C)C)s1 ZINC000185323537 180397413 /nfs/dbraw/zinc/39/74/13/180397413.db2.gz BHIPZYBANLFENM-UHFFFAOYSA-N 0 3 214.294 0.138 20 0 BCADHN Cc1nnc(C(=O)NC[C@H]2CCN(C)C2)s1 ZINC000185417876 180398944 /nfs/dbraw/zinc/39/89/44/180398944.db2.gz RWHAGIVLVOOYQL-MRVPVSSYSA-N 0 3 240.332 0.528 20 0 BCADHN COc1ccc(CNCCCCO)cn1 ZINC000062070532 350539053 /nfs/dbraw/zinc/53/90/53/350539053.db2.gz NGBPNFGXSVHLBJ-UHFFFAOYSA-N 0 3 210.277 0.952 20 0 BCADHN CCCCN(C)CC(=O)N1CCNCC1 ZINC000019514114 350546643 /nfs/dbraw/zinc/54/66/43/350546643.db2.gz QVHOWWOIVBBQSL-UHFFFAOYSA-N 0 3 213.325 0.150 20 0 BCADHN CC1(C)CN(CCn2cncn2)CC[C@H]1O ZINC000336656634 350614378 /nfs/dbraw/zinc/61/43/78/350614378.db2.gz LPNCOTDKAXMUHP-SNVBAGLBSA-N 0 3 224.308 0.371 20 0 BCADHN C/C=C\CNC(=O)NCC1(O)CCN(C)CC1 ZINC000637484298 350643695 /nfs/dbraw/zinc/64/36/95/350643695.db2.gz FEVRMQIRVNMOAJ-ARJAWSKDSA-N 0 3 241.335 0.318 20 0 BCADHN O=C(C[C@@H]1CCOC1)NCCNc1ccncc1 ZINC000606930896 350628795 /nfs/dbraw/zinc/62/87/95/350628795.db2.gz QQAXGHBULXGBIU-NSHDSACASA-N 0 3 249.314 0.458 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N1CC[C@@H](CO)C1 ZINC000606975117 350660017 /nfs/dbraw/zinc/66/00/17/350660017.db2.gz DBIAGGMXCAXCDS-MNOVXSKESA-N 0 3 241.335 0.104 20 0 BCADHN CCCOCC(=O)N[C@@H]1CCCN(C)C1 ZINC000222249950 350666327 /nfs/dbraw/zinc/66/63/27/350666327.db2.gz RYDLKEJTUXGFJQ-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CC[C@@H](O)CN(CCO)[C@H]1CCO[C@@H]1C ZINC000577561670 365987354 /nfs/dbraw/zinc/98/73/54/365987354.db2.gz BHVIXKMTQBSMHR-MXWKQRLJSA-N 0 3 217.309 0.229 20 0 BCADHN CC[C@@H](O)CN(CCO)[C@@H]1CCO[C@@H]1C ZINC000577561668 365988028 /nfs/dbraw/zinc/98/80/28/365988028.db2.gz BHVIXKMTQBSMHR-GMTAPVOTSA-N 0 3 217.309 0.229 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H](CO)C1CCC1)N(C)C ZINC000617305264 350713538 /nfs/dbraw/zinc/71/35/38/350713538.db2.gz KSOKIQMQULNQBJ-RYUDHWBXSA-N 0 3 242.363 0.850 20 0 BCADHN CN1CCC(C(=O)N[C@@H](CO)C2CCC2)CC1 ZINC000617306906 350714732 /nfs/dbraw/zinc/71/47/32/350714732.db2.gz MYBPZCBMSAOIJW-LBPRGKRZSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H](O)C[C@@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000637532811 350681516 /nfs/dbraw/zinc/68/15/16/350681516.db2.gz MQLHVJKGIKEQFX-MXWKQRLJSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cncn1C ZINC000177278327 365991102 /nfs/dbraw/zinc/99/11/02/365991102.db2.gz ULYQCIYVYUSQDM-NXEZZACHSA-N 0 3 236.319 0.506 20 0 BCADHN COC[C@@H](NCCC(N)=O)c1ccccc1 ZINC000234694006 350701887 /nfs/dbraw/zinc/70/18/87/350701887.db2.gz XJBHSYNEZMISHJ-LLVKDONJSA-N 0 3 222.288 0.839 20 0 BCADHN CCO[C@@H]1C[C@@H]1NC(=O)C1CCN(C)CC1 ZINC000577580945 366003080 /nfs/dbraw/zinc/00/30/80/366003080.db2.gz JKHGHJBCELDWGX-WDEREUQCSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@@H](CC)N(C)C ZINC000338960679 350723522 /nfs/dbraw/zinc/72/35/22/350723522.db2.gz GZFBTQYNKMAJJM-GHMZBOCLSA-N 0 3 230.352 0.994 20 0 BCADHN C[C@H](C(N)=O)N(C)CC1(N(C)C)CCC1 ZINC000097930122 350724533 /nfs/dbraw/zinc/72/45/33/350724533.db2.gz 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/nfs/dbraw/zinc/73/57/54/351735754.db2.gz NFKIQSQXOXCFRO-LLVKDONJSA-N 0 3 212.293 0.424 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N1CCc2ccccc21 ZINC000637871328 351737922 /nfs/dbraw/zinc/73/79/22/351737922.db2.gz LOPJIXHTIJVDST-PWSUYJOCSA-N 0 3 232.283 0.692 20 0 BCADHN CCCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000637874940 351743708 /nfs/dbraw/zinc/74/37/08/351743708.db2.gz BOGOUHCEYFRKCW-CYBMUJFWSA-N 0 3 249.358 0.972 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCCC[C@@H]1O ZINC000162261329 323603141 /nfs/dbraw/zinc/60/31/41/323603141.db2.gz IRSZOXZELAQXHY-VWYCJHECSA-N 0 3 249.376 0.703 20 0 BCADHN CCOC(=O)CCCN1CC[C@](C)(O)C1 ZINC000177977967 366072629 /nfs/dbraw/zinc/07/26/29/366072629.db2.gz KSEMELQOVDFHJA-NSHDSACASA-N 0 3 215.293 0.786 20 0 BCADHN COCCN(C)C(=O)[C@@H](N)CCC(C)C ZINC000637907035 351777274 /nfs/dbraw/zinc/77/72/74/351777274.db2.gz GCFNNFYDTUQLRD-JTQLQIEISA-N 0 3 216.325 0.855 20 0 BCADHN C=Cn1cc(CNC[C@@H](O)[C@@H]2CCCO2)cn1 ZINC000623620807 363091129 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/nfs/dbraw/zinc/92/60/59/351926059.db2.gz FBVADARWLGUJAN-ZYHUDNBSSA-N 0 3 235.287 0.787 20 0 BCADHN CCN[C@@H](C)C(=O)NCCCn1ccnc1 ZINC000638047502 351926381 /nfs/dbraw/zinc/92/63/81/351926381.db2.gz JUXCYKNEKCTAGK-JTQLQIEISA-N 0 3 224.308 0.387 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NCCn1ccnc1 ZINC000638051854 351929252 /nfs/dbraw/zinc/92/92/52/351929252.db2.gz SXUZRAMHCFESKK-NSHDSACASA-N 0 3 238.335 0.763 20 0 BCADHN CCN1CCN(C[C@]2(OC)CCOC2)C[C@@H]1C ZINC000638053496 351931241 /nfs/dbraw/zinc/93/12/41/351931241.db2.gz CDLBSEJGMZBVTN-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN CN(CCN1CCCC1=O)Cc1ccc(=O)[nH]c1 ZINC000638064882 351937204 /nfs/dbraw/zinc/93/72/04/351937204.db2.gz POBLDMHDHNICLY-UHFFFAOYSA-N 0 3 249.314 0.841 20 0 BCADHN CCCC[C@@H](COC)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638012739 351888403 /nfs/dbraw/zinc/88/84/03/351888403.db2.gz YNQAJKJIPZPORW-GARJFASQSA-N 0 3 244.335 0.424 20 0 BCADHN CCN1CCC(NC(=O)c2cnnn2C)CC1 ZINC000281373988 351889202 /nfs/dbraw/zinc/88/92/02/351889202.db2.gz WVHXWWGUSADVTK-UHFFFAOYSA-N 0 3 237.307 0.029 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](COC)C(C)C ZINC000638016407 351894238 /nfs/dbraw/zinc/89/42/38/351894238.db2.gz RVCVDCROWOCWDR-UWVGGRQHSA-N 0 3 216.325 0.772 20 0 BCADHN CCN(Cc1cnc(N)nc1N)CC1CC1 ZINC000638074893 351945514 /nfs/dbraw/zinc/94/55/14/351945514.db2.gz FGDJIDMSCMAHBX-UHFFFAOYSA-N 0 3 221.308 0.534 20 0 BCADHN CNC(=O)CCN(C)Cc1cccc(F)c1N ZINC000638020341 351898819 /nfs/dbraw/zinc/89/88/19/351898819.db2.gz KLXCBAGIZBHSIU-UHFFFAOYSA-N 0 3 239.294 0.976 20 0 BCADHN CN(CC(C)(C)N1CCOCC1)[C@@H]1CCOC1 ZINC000638028072 351907579 /nfs/dbraw/zinc/90/75/79/351907579.db2.gz FMRFLRDEUFGDSA-GFCCVEGCSA-N 0 3 242.363 0.818 20 0 BCADHN CCN[C@H](C)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000638033685 351913888 /nfs/dbraw/zinc/91/38/88/351913888.db2.gz XQDQOSQJTLPWGY-ZYHUDNBSSA-N 0 3 226.320 0.623 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000638033668 351913953 /nfs/dbraw/zinc/91/39/53/351913953.db2.gz MDQSRWFKWPBVDC-AXFHLTTASA-N 0 3 244.335 0.295 20 0 BCADHN CCN[C@@H](C)C(=O)NCCCO[C@H]1CCOC1 ZINC000638033522 351914157 /nfs/dbraw/zinc/91/41/57/351914157.db2.gz LFCBNTNQENOCSR-QWRGUYRKSA-N 0 3 244.335 0.296 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000638033669 351914241 /nfs/dbraw/zinc/91/42/41/351914241.db2.gz MDQSRWFKWPBVDC-GMTAPVOTSA-N 0 3 244.335 0.295 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N[C@@H]1CCCN(C)C1 ZINC000638080146 351953275 /nfs/dbraw/zinc/95/32/75/351953275.db2.gz ZLUNTLUXFAXJNZ-NEPJUHHUSA-N 0 3 241.379 0.960 20 0 BCADHN Cc1cc(CN)oc1C(=O)NC[C@H](C)N(C)C ZINC000638080872 351954166 /nfs/dbraw/zinc/95/41/66/351954166.db2.gz SDJFGWYINSTJFJ-VIFPVBQESA-N 0 3 239.319 0.727 20 0 BCADHN NC1(C(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000083834907 351955607 /nfs/dbraw/zinc/95/56/07/351955607.db2.gz VFRMYYPMSBLKHW-NXEZZACHSA-N 0 3 224.304 0.648 20 0 BCADHN C[C@@]1(O)CCN(Cc2c[nH]c3ncncc23)C1 ZINC000638152096 352011092 /nfs/dbraw/zinc/01/10/92/352011092.db2.gz IICBUSPEFCVFFG-GFCCVEGCSA-N 0 3 232.287 0.866 20 0 BCADHN Nc1ncc(CN2C[C@@H]3CCC[C@@H]3C2)c(N)n1 ZINC000638086819 351964128 /nfs/dbraw/zinc/96/41/28/351964128.db2.gz JWQYAWRRWJKIMU-DTORHVGOSA-N 0 3 233.319 0.534 20 0 BCADHN Cc1scc(CN2C[C@@H](O)[C@@H](O)C2)c1C ZINC000638095277 351972690 /nfs/dbraw/zinc/97/26/90/351972690.db2.gz RUIKJGIBPRTRFY-PHIMTYICSA-N 0 3 227.329 0.902 20 0 BCADHN CN(Cc1ccc(=O)[nH]c1)CC(C)(CO)CO ZINC000638094720 351974290 /nfs/dbraw/zinc/97/42/90/351974290.db2.gz XPMPDESLTZELNE-UHFFFAOYSA-N 0 3 240.303 0.210 20 0 BCADHN CC[C@H](C)[C@@H](CN(C)CC(C)(CO)CO)OC ZINC000638094690 351974376 /nfs/dbraw/zinc/97/43/76/351974376.db2.gz WRWBXVRJIVEEJG-NWDGAFQWSA-N 0 3 247.379 0.970 20 0 BCADHN Cc1ncc(CNC[C@@H](O)[C@H]2CCCO2)cn1 ZINC000527756160 323679839 /nfs/dbraw/zinc/67/98/39/323679839.db2.gz DLBJZCWWWAMZMC-VXGBXAGGSA-N 0 3 237.303 0.415 20 0 BCADHN CCN[C@H](C)C(=O)N(C)Cc1cn[nH]c1 ZINC000638117121 351991165 /nfs/dbraw/zinc/99/11/65/351991165.db2.gz RZBDDXRHEITRAE-MRVPVSSYSA-N 0 3 210.281 0.366 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@@]2(N)CC2(F)F)C1 ZINC000638126598 351997621 /nfs/dbraw/zinc/99/76/21/351997621.db2.gz OSVBVHRQBCQVMP-WPRPVWTQSA-N 0 3 247.289 0.181 20 0 BCADHN CCN[C@H](C)C(=O)N(C)[C@H]1CCSC1 ZINC000638143370 352006502 /nfs/dbraw/zinc/00/65/02/352006502.db2.gz ZQKONMKMGYPNNZ-BDAKNGLRSA-N 0 3 216.350 0.948 20 0 BCADHN CN(Cc1cccnc1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638143118 352006756 /nfs/dbraw/zinc/00/67/56/352006756.db2.gz YHRFYNVKVFGYRD-WDEREUQCSA-N 0 3 235.287 0.156 20 0 BCADHN CO[C@](C)(CN(C)[C@H]1CCNC1=O)C1CC1 ZINC000638180401 352043947 /nfs/dbraw/zinc/04/39/47/352043947.db2.gz CZTZQZORJXHESB-CMPLNLGQSA-N 0 3 226.320 0.622 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000638198404 352061898 /nfs/dbraw/zinc/06/18/98/352061898.db2.gz JUZWGURTNSRQTF-SCZZXKLOSA-N 0 3 248.286 0.006 20 0 BCADHN CC[C@H](NC(C)=O)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000638203292 352064507 /nfs/dbraw/zinc/06/45/07/352064507.db2.gz DRMXVYXWDCNLGZ-QXEWZRGKSA-N 0 3 241.335 0.110 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[n-]cn2)CC[NH2+]1 ZINC000638207859 352069695 /nfs/dbraw/zinc/06/96/95/352069695.db2.gz CIUQCWFQIBTMHW-SFYZADRCSA-N 0 3 236.275 0.053 20 0 BCADHN CC1(NC(=O)c2cc(=O)[n-]cn2)CC[NH2+]CC1 ZINC000638207139 352069873 /nfs/dbraw/zinc/06/98/73/352069873.db2.gz MPQJALJDZARBHE-UHFFFAOYSA-N 0 3 236.275 0.054 20 0 BCADHN COC1CC(C(=O)N2CCN[C@@H](C)[C@@H]2C)C1 ZINC000638207640 352070079 /nfs/dbraw/zinc/07/00/79/352070079.db2.gz QJWDYXHTFCYKQV-SAAXCQNUSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@H]1NCCN(C(=O)C23CC(C2)C3)[C@@H]1C ZINC000638208579 352070813 /nfs/dbraw/zinc/07/08/13/352070813.db2.gz UYWCNOKRODNKSX-XTQFYOIMSA-N 0 3 208.305 0.995 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000638208925 352071349 /nfs/dbraw/zinc/07/13/49/352071349.db2.gz WVXPZRXRUGVZBX-SRVKXCTJSA-N 0 3 241.379 0.959 20 0 BCADHN Cc1nccn1CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000638156083 352018966 /nfs/dbraw/zinc/01/89/66/352018966.db2.gz GOHGKGLNSHZNRM-UWVGGRQHSA-N 0 3 236.319 0.400 20 0 BCADHN CCO[C@@H](C(=O)NCCNCCOC)C1CC1 ZINC000638156529 352019623 /nfs/dbraw/zinc/01/96/23/352019623.db2.gz YYVFRTAOLFCVPO-LLVKDONJSA-N 0 3 244.335 0.154 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)[C@@H]1CCCCN1C ZINC000638157040 352020647 /nfs/dbraw/zinc/02/06/47/352020647.db2.gz BAJHXNATXWPSEK-TUAOUCFPSA-N 0 3 239.363 0.680 20 0 BCADHN C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)[C@@H](C)CN1 ZINC000638157307 352021404 /nfs/dbraw/zinc/02/14/04/352021404.db2.gz LMAVQXLRKMJCFV-SFYZADRCSA-N 0 3 236.275 0.005 20 0 BCADHN C[C@@H]1CN(C(=O)c2cc(=O)[nH]cn2)[C@@H](C)CN1 ZINC000638157307 352021407 /nfs/dbraw/zinc/02/14/07/352021407.db2.gz LMAVQXLRKMJCFV-SFYZADRCSA-N 0 3 236.275 0.005 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](C)NC[C@@H]1C)N(C)C ZINC000638157983 352022300 /nfs/dbraw/zinc/02/23/00/352022300.db2.gz NMKACZUHXLBWTA-OUAUKWLOSA-N 0 3 227.352 0.535 20 0 BCADHN [NH3+]CCN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000037038290 352023715 /nfs/dbraw/zinc/02/37/15/352023715.db2.gz PCHITVQFFAIZII-UHFFFAOYSA-N 0 3 249.314 0.109 20 0 BCADHN Cc1nc[nH]c1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000638160063 352024935 /nfs/dbraw/zinc/02/49/35/352024935.db2.gz UXZXLRRKBOKXQB-HTQZYQBOSA-N 0 3 222.292 0.541 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000638158028 352025894 /nfs/dbraw/zinc/02/58/94/352025894.db2.gz NYHPJJBRTAPWEH-TUAOUCFPSA-N 0 3 241.379 0.959 20 0 BCADHN C[C@@H]1CCN(Cc2cnc(N)nc2N)[C@H]1C ZINC000638163635 352027892 /nfs/dbraw/zinc/02/78/92/352027892.db2.gz SUQQKQLKDHZCLE-SFYZADRCSA-N 0 3 221.308 0.532 20 0 BCADHN CCN[C@H](C)C(=O)N1CCCSCC1 ZINC000638168346 352036432 /nfs/dbraw/zinc/03/64/32/352036432.db2.gz FFLRLTVYHMTTAX-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN CC(C)[C@H]1CCN(Cc2cnc(N)nc2N)C1 ZINC000638171838 352038625 /nfs/dbraw/zinc/03/86/25/352038625.db2.gz WKECLZOIOUDFRL-VIFPVBQESA-N 0 3 235.335 0.780 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@]1(C)CCOC1 ZINC000638172393 352039835 /nfs/dbraw/zinc/03/98/35/352039835.db2.gz WKGJQKSKYGKIQC-SCZZXKLOSA-N 0 3 200.282 0.280 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NCC(F)(F)CN ZINC000638175671 352041444 /nfs/dbraw/zinc/04/14/44/352041444.db2.gz JGBZSCDVFNYKPX-MRVPVSSYSA-N 0 3 237.294 0.460 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCC[C@H]1CCCCO1 ZINC000638283500 352119391 /nfs/dbraw/zinc/11/93/91/352119391.db2.gz MPDIGFDKTMSAEH-MXWKQRLJSA-N 0 3 242.319 0.178 20 0 BCADHN CCCCCNCc1cnc(N)nc1N ZINC000638290430 352126414 /nfs/dbraw/zinc/12/64/14/352126414.db2.gz SQSNGKUNZPAMNO-UHFFFAOYSA-N 0 3 209.297 0.582 20 0 BCADHN Nc1c(F)cccc1CNCCOCCO ZINC000638292432 352127837 /nfs/dbraw/zinc/12/78/37/352127837.db2.gz FIEBDASUQQMRMI-UHFFFAOYSA-N 0 3 228.267 0.506 20 0 BCADHN O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc(=O)[n-]cn1 ZINC000638244165 352091928 /nfs/dbraw/zinc/09/19/28/352091928.db2.gz IIWCEFBQINWPMO-VIFPVBQESA-N 0 3 248.286 0.054 20 0 BCADHN Cc1conc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000638246313 352092855 /nfs/dbraw/zinc/09/28/55/352092855.db2.gz AZUFIYCHTWTAEB-YUMQZZPRSA-N 0 3 227.239 0.413 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)C12CC(C1)C2 ZINC000638248930 352094500 /nfs/dbraw/zinc/09/45/00/352094500.db2.gz SPNGXERVKBJFHW-QMFGVRBNSA-N 0 3 212.268 0.603 20 0 BCADHN C[C@H](C(=O)N1CCNC[C@](C)(F)C1)N(C)C ZINC000638253330 352096602 /nfs/dbraw/zinc/09/66/02/352096602.db2.gz LJONYXLZOZORDP-KOLCDFICSA-N 0 3 231.315 0.097 20 0 BCADHN CC1(NCc2cnc(N)nc2N)CCCC1 ZINC000638307540 352135269 /nfs/dbraw/zinc/13/52/69/352135269.db2.gz SGDIXXLSYZOBEV-UHFFFAOYSA-N 0 3 221.308 0.724 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NCCn1cccn1 ZINC000638277519 352112469 /nfs/dbraw/zinc/11/24/69/352112469.db2.gz UHZGXRNKXPOEKY-NSHDSACASA-N 0 3 238.335 0.763 20 0 BCADHN CC(C)NC(=O)CNCc1c[nH]c2ncncc12 ZINC000638279311 352115341 /nfs/dbraw/zinc/11/53/41/352115341.db2.gz LBOYCALLYVDPBI-UHFFFAOYSA-N 0 3 247.302 0.524 20 0 BCADHN COC[C@@]1(C(=O)NC[C@@H](C)OC)CCCCN1 ZINC000638280917 352116820 /nfs/dbraw/zinc/11/68/20/352116820.db2.gz GKDRCKVITVBXRU-ZYHUDNBSSA-N 0 3 244.335 0.296 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@@H]1C ZINC000638281704 352116881 /nfs/dbraw/zinc/11/68/81/352116881.db2.gz GRIXJGKMYBQQDW-VPOLOUISSA-N 0 3 226.320 0.607 20 0 BCADHN C[C@@H]1CCC[C@H](NCc2cnc(N)nc2N)C1 ZINC000638332538 352151074 /nfs/dbraw/zinc/15/10/74/352151074.db2.gz HXVVJTMGOGZSDC-SCZZXKLOSA-N 0 3 235.335 0.970 20 0 BCADHN O=C(NC[C@H]1CNCCO1)[C@@H]1CCCC12CC2 ZINC000638337037 352155157 /nfs/dbraw/zinc/15/51/57/352155157.db2.gz BPMZQINBWDGNOG-MNOVXSKESA-N 0 3 238.331 0.671 20 0 BCADHN CCO[C@@H](C(=O)NC[C@@H]1CNCCO1)C(C)C ZINC000638337011 352155567 /nfs/dbraw/zinc/15/55/67/352155567.db2.gz AXFYRRLOWHUUFC-WDEREUQCSA-N 0 3 244.335 0.152 20 0 BCADHN O=C(NC[C@H]1CNCCO1)C1CCC=CCC1 ZINC000638338029 352158155 /nfs/dbraw/zinc/15/81/55/352158155.db2.gz PQAFZCFKBXBHLK-GFCCVEGCSA-N 0 3 238.331 0.837 20 0 BCADHN C[C@H]1CCCN(CCNCc2ncnn2C)C1 ZINC000638362593 352175300 /nfs/dbraw/zinc/17/53/00/352175300.db2.gz BTBZSLWJVUCMLD-NSHDSACASA-N 0 3 237.351 0.637 20 0 BCADHN C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000638369203 352181786 /nfs/dbraw/zinc/18/17/86/352181786.db2.gz FRBQIJFBRVUDKY-RNFRBKRXSA-N 0 3 241.266 0.782 20 0 BCADHN C[C@H]1CC(NC(=O)[C@@H]2OCC[C@@H]2N)C[C@H](C)O1 ZINC000638375594 352186061 /nfs/dbraw/zinc/18/60/61/352186061.db2.gz CORXARAGNKOVFH-MPKXCIJOSA-N 0 3 242.319 0.175 20 0 BCADHN CCN[C@H](C)C(=O)N1CCC(CCO)CC1 ZINC000638391353 352199296 /nfs/dbraw/zinc/19/92/96/352199296.db2.gz QBEAMKZRDULEQR-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000638379060 352191697 /nfs/dbraw/zinc/19/16/97/352191697.db2.gz WGXHHXYWZOEXHX-YIZRAAEISA-N 0 3 200.282 0.278 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCCCN1 ZINC000638382755 352192698 /nfs/dbraw/zinc/19/26/98/352192698.db2.gz ZFERXHZBHVHAFX-JTQLQIEISA-N 0 3 213.325 0.877 20 0 BCADHN C[C@H]1C[C@H](CNC(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000638314150 352138790 /nfs/dbraw/zinc/13/87/90/352138790.db2.gz JGCJIPRSOHCGDP-ZRUFSTJUSA-N 0 3 242.319 0.034 20 0 BCADHN CCN[C@H](C)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000638322211 352144515 /nfs/dbraw/zinc/14/45/15/352144515.db2.gz WTCVJQSWTRSMDE-SECBINFHSA-N 0 3 249.314 0.670 20 0 BCADHN CC1(CCNC(=O)CN2CCNCC2)CC1 ZINC000638325063 352146237 /nfs/dbraw/zinc/14/62/37/352146237.db2.gz YGJXMFUBTFIEKU-UHFFFAOYSA-N 0 3 225.336 0.198 20 0 BCADHN C[C@H](C[C@@H]1CCCC(=O)N1)NCc1cc[nH]n1 ZINC000638329428 352150091 /nfs/dbraw/zinc/15/00/91/352150091.db2.gz QNFUHNZLSLKBKS-ZJUUUORDSA-N 0 3 236.319 0.947 20 0 BCADHN CCN[C@@H](C)C(=O)N(CC)c1cnn(C)c1 ZINC000638395961 352203101 /nfs/dbraw/zinc/20/31/01/352203101.db2.gz FZPWKZFFOXEPLU-VIFPVBQESA-N 0 3 224.308 0.771 20 0 BCADHN COC1(CC(=O)N2CC[C@@H](F)[C@H](N)C2)CCC1 ZINC000638432565 352240512 /nfs/dbraw/zinc/24/05/12/352240512.db2.gz YKAHCMRXMWRDMS-NXEZZACHSA-N 0 3 244.310 0.843 20 0 BCADHN CCCCCN(C)CC(=O)N1CCNCC1 ZINC000037171691 358468555 /nfs/dbraw/zinc/46/85/55/358468555.db2.gz FPKSKBKDQCCDIQ-UHFFFAOYSA-N 0 3 227.352 0.540 20 0 BCADHN Cc1nocc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000638432075 352240633 /nfs/dbraw/zinc/24/06/33/352240633.db2.gz VMWKLUULRUQVLA-RKDXNWHRSA-N 0 3 227.239 0.494 20 0 BCADHN CCN[C@H](C)C(=O)NCC[C@H](COC)OC ZINC000638403346 352209837 /nfs/dbraw/zinc/20/98/37/352209837.db2.gz BBZQCEAAYXTBAU-NXEZZACHSA-N 0 3 232.324 0.152 20 0 BCADHN CCN[C@@H](C)C(=O)NCC[C@@H](COC)OC ZINC000638403351 352210127 /nfs/dbraw/zinc/21/01/27/352210127.db2.gz BBZQCEAAYXTBAU-UWVGGRQHSA-N 0 3 232.324 0.152 20 0 BCADHN c1nc(CN[C@H]2COC[C@@H]2C2CC2)c[nH]1 ZINC000725270221 538102290 /nfs/dbraw/zinc/10/22/90/538102290.db2.gz YWLADRJBCFNIEM-MNOVXSKESA-N 0 3 207.277 0.924 20 0 BCADHN c1ncc(CN[C@H]2COC[C@@H]2C2CC2)[nH]1 ZINC000725270221 538102291 /nfs/dbraw/zinc/10/22/91/538102291.db2.gz YWLADRJBCFNIEM-MNOVXSKESA-N 0 3 207.277 0.924 20 0 BCADHN N[C@@H]1CN(C(=O)c2coc(CO)c2)CC[C@H]1F ZINC000638432378 352240858 /nfs/dbraw/zinc/24/08/58/352240858.db2.gz XKBFUPTXPJDTOM-NXEZZACHSA-N 0 3 242.250 0.283 20 0 BCADHN COC[C@@]1(C(=O)NCCCCO)CCCCN1 ZINC000638406625 352214903 /nfs/dbraw/zinc/21/49/03/352214903.db2.gz IOPAZCFPPWHDKT-GFCCVEGCSA-N 0 3 244.335 0.034 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NCCCCO ZINC000638407169 352215952 /nfs/dbraw/zinc/21/59/52/352215952.db2.gz NZMJYOXIXATJFK-SNVBAGLBSA-N 0 3 216.325 0.639 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000638414288 352222534 /nfs/dbraw/zinc/22/25/34/352222534.db2.gz DOOXPNDKGOIJGV-IIRVCBMXSA-N 0 3 238.331 0.655 20 0 BCADHN CCN[C@H](C)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000638425822 352232964 /nfs/dbraw/zinc/23/29/64/352232964.db2.gz RNMBFDFPRAGVFV-VWYCJHECSA-N 0 3 226.320 0.479 20 0 BCADHN Cc1cnn(CCN2CC[C@@H](CO)C2)c1 ZINC000219297404 363134779 /nfs/dbraw/zinc/13/47/79/363134779.db2.gz UHOZNZOBSPKOIR-LLVKDONJSA-N 0 3 209.293 0.506 20 0 BCADHN CCn1nncc1CNC(=O)[C@@H](N)C(C)(C)C ZINC000638450065 352260304 /nfs/dbraw/zinc/26/03/04/352260304.db2.gz KEESKGWLLODOJT-SECBINFHSA-N 0 3 239.323 0.288 20 0 BCADHN CC(C)OC(=O)CCN1CCCN(C)CC1 ZINC000411149179 191165094 /nfs/dbraw/zinc/16/50/94/191165094.db2.gz PVNIJZQIUBQAFA-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCC[C@H]1CCCOC1 ZINC000638455376 352265341 /nfs/dbraw/zinc/26/53/41/352265341.db2.gz AYTMBQXTWZVHLS-GHMZBOCLSA-N 0 3 240.347 0.917 20 0 BCADHN NC1(C(=O)NCC[C@H]2CCCOC2)CC1 ZINC000638457188 352267445 /nfs/dbraw/zinc/26/74/45/352267445.db2.gz MSPGHNNPXZQHIB-SECBINFHSA-N 0 3 212.293 0.411 20 0 BCADHN CCC[C@H](CNC(=O)[C@@H]1OCC[C@@H]1N)OCC ZINC000638457131 352267578 /nfs/dbraw/zinc/26/75/78/352267578.db2.gz JWPBDQGELCJXOL-OUAUKWLOSA-N 0 3 244.335 0.424 20 0 BCADHN CCC[C@@H](CNC(=O)C1(N)CC1)OCC ZINC000638457704 352268401 /nfs/dbraw/zinc/26/84/01/352268401.db2.gz NFXFHUQFXBWXFH-VIFPVBQESA-N 0 3 214.309 0.799 20 0 BCADHN NCC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000638458753 352269952 /nfs/dbraw/zinc/26/99/52/352269952.db2.gz GWFNBUIMEDIRLI-NSHDSACASA-N 0 3 220.272 0.203 20 0 BCADHN CCCN(CCC)[C@@H](C)C(=O)NCC(=O)OC ZINC000411169869 191165716 /nfs/dbraw/zinc/16/57/16/191165716.db2.gz VNXJGLDVCPSJFK-JTQLQIEISA-N 0 3 244.335 0.786 20 0 BCADHN Cn1ccc(CNC[C@H]2CC[C@@H](CO)O2)c1 ZINC000348231264 180701641 /nfs/dbraw/zinc/70/16/41/180701641.db2.gz ZAELSLSNWWWKDL-NEPJUHHUSA-N 0 3 224.304 0.655 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000638462008 352272687 /nfs/dbraw/zinc/27/26/87/352272687.db2.gz PXBUAKQJCXJRNP-QWHCGFSZSA-N 0 3 248.326 0.981 20 0 BCADHN CCN[C@H](C)C(=O)NCCOCCF ZINC000638437080 352244445 /nfs/dbraw/zinc/24/44/45/352244445.db2.gz QYDVXTPXDUBNKX-MRVPVSSYSA-N 0 3 206.261 0.087 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCCc2n[nH]cc2C1 ZINC000638435852 352246729 /nfs/dbraw/zinc/24/67/29/352246729.db2.gz FELFQJAYMGSVKN-VIFPVBQESA-N 0 3 236.319 0.683 20 0 BCADHN COC1CCC(NC(=O)C2(N)CCC2)CC1 ZINC000638444279 352250279 /nfs/dbraw/zinc/25/02/79/352250279.db2.gz CSOPWODPHCOJGO-UHFFFAOYSA-N 0 3 226.320 0.942 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000638444438 352250540 /nfs/dbraw/zinc/25/05/40/352250540.db2.gz CEWWKYUPRXEFTC-KXUCPTDWSA-N 0 3 241.335 0.130 20 0 BCADHN Cc1cc(C)cc(NC(=O)C(=O)NCCN)c1 ZINC000037243088 358470838 /nfs/dbraw/zinc/47/08/38/358470838.db2.gz PVNUPNZGCPMWGS-UHFFFAOYSA-N 0 3 235.287 0.317 20 0 BCADHN CC(C)[C@H]1CNCCN1C(=O)[C@@H](N)CC(F)F ZINC000638487628 352296254 /nfs/dbraw/zinc/29/62/54/352296254.db2.gz CEEJVKHXVDHLJP-DTWKUNHWSA-N 0 3 249.305 0.425 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1COCC1(C)C ZINC000313070271 259425300 /nfs/dbraw/zinc/42/53/00/259425300.db2.gz YTYRCFJJJIZJFB-VHSXEESVSA-N 0 3 249.376 0.824 20 0 BCADHN CCCCN(CCC1(O)CCC1)CC(N)=O ZINC000411174858 191167360 /nfs/dbraw/zinc/16/73/60/191167360.db2.gz PSJAHFNHTQTAHX-UHFFFAOYSA-N 0 3 228.336 0.879 20 0 BCADHN COC[C@@](C)(CC(=O)OC)NCC[C@@H](C)O ZINC000411395598 191181731 /nfs/dbraw/zinc/18/17/31/191181731.db2.gz WBZZFCCKDAUYFY-MWLCHTKSSA-N 0 3 233.308 0.315 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000638508469 352329836 /nfs/dbraw/zinc/32/98/36/352329836.db2.gz GPPZLNWASXIESL-RNSXUZJQSA-N 0 3 212.293 0.278 20 0 BCADHN COC[C@](C)(CC(=O)OC)NCC[C@H](C)O ZINC000411395599 191181992 /nfs/dbraw/zinc/18/19/92/191181992.db2.gz WBZZFCCKDAUYFY-ONGXEEELSA-N 0 3 233.308 0.315 20 0 BCADHN CN(CCc1cncs1)CC(C)(CO)CO ZINC000411325695 191179570 /nfs/dbraw/zinc/17/95/70/191179570.db2.gz ONBAQQZZVQKRMI-UHFFFAOYSA-N 0 3 244.360 0.608 20 0 BCADHN CCN(Cc1ccc(C(N)=O)cc1)[C@@H](C)CO ZINC000293292323 352345686 /nfs/dbraw/zinc/34/56/86/352345686.db2.gz DHRUMSCLHOKIJD-JTQLQIEISA-N 0 3 236.315 0.988 20 0 BCADHN NC1(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)CC1 ZINC000638535071 352365140 /nfs/dbraw/zinc/36/51/40/352365140.db2.gz BAAZYKWXCWKSSP-BDAKNGLRSA-N 0 3 226.345 0.974 20 0 BCADHN C[C@H](N)C(=O)Nc1cnn(CCF)c1 ZINC000638535552 352367309 /nfs/dbraw/zinc/36/73/09/352367309.db2.gz STKQAIWUWMUSEX-LURJTMIESA-N 0 3 200.217 0.138 20 0 BCADHN C[C@@H](N)C(=O)Nc1cnn(CCF)c1 ZINC000638535556 352367325 /nfs/dbraw/zinc/36/73/25/352367325.db2.gz STKQAIWUWMUSEX-ZCFIWIBFSA-N 0 3 200.217 0.138 20 0 BCADHN NCc1cccc2c1N(C(=O)CC(N)=O)CCC2 ZINC000638543577 352374002 /nfs/dbraw/zinc/37/40/02/352374002.db2.gz BJTNUQXJDHILLP-UHFFFAOYSA-N 0 3 247.298 0.300 20 0 BCADHN CCNC(=O)CN[C@@H](C)[C@@H](C)C(=O)OCC ZINC000411524518 191190942 /nfs/dbraw/zinc/19/09/42/191190942.db2.gz BDEFDLNHEVPAAX-BDAKNGLRSA-N 0 3 230.308 0.300 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H]1CCCNC1=O ZINC000411527262 191191040 /nfs/dbraw/zinc/19/10/40/191191040.db2.gz FNKPXEPGECYHCZ-OPRDCNLKSA-N 0 3 242.319 0.442 20 0 BCADHN CCNC(=O)CNCC(CC)(CC)C(=O)OC ZINC000411400172 191183405 /nfs/dbraw/zinc/18/34/05/191183405.db2.gz ISTIEFZPUIYPHF-UHFFFAOYSA-N 0 3 244.335 0.692 20 0 BCADHN CCN(Cc1cnn(CCOC)c1)[C@@H](C)CO ZINC000293631291 352357294 /nfs/dbraw/zinc/35/72/94/352357294.db2.gz LLZFROJGFPEXEW-NSHDSACASA-N 0 3 241.335 0.732 20 0 BCADHN CCn1ncnc1CN[C@@H]1CCN(CC2CC2)C1 ZINC000638583310 352414175 /nfs/dbraw/zinc/41/41/75/352414175.db2.gz ZPGFCDWXIJDGKK-GFCCVEGCSA-N 0 3 249.362 0.872 20 0 BCADHN CC(C)OC[C@H](CO)N(C)CC[C@@H](C)O ZINC000411638332 191200989 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/nfs/dbraw/zinc/45/23/11/352452311.db2.gz VIKYNCRRPSXUJE-QMMMGPOBSA-N 0 3 246.314 0.586 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1Cc2ccccc2NC1=O ZINC000638623426 352461066 /nfs/dbraw/zinc/46/10/66/352461066.db2.gz DQSQEEXLBVIPNE-GMSGAONNSA-N 0 3 233.271 0.013 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000638625300 352463874 /nfs/dbraw/zinc/46/38/74/352463874.db2.gz CUDQDDOAKPCVPU-SSRBZLIGSA-N 0 3 228.336 0.913 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC000638628220 352467241 /nfs/dbraw/zinc/46/72/41/352467241.db2.gz OWLXHFDFNXLOEB-GZMMTYOYSA-N 0 3 247.298 0.277 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638627573 352468510 /nfs/dbraw/zinc/46/85/10/352468510.db2.gz RMUKBHCRXCKXAK-ALMWHKAHSA-N 0 3 242.319 0.031 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000638632177 352474163 /nfs/dbraw/zinc/47/41/63/352474163.db2.gz YCZQRCXAXVOALR-ULHDWMFZSA-N 0 3 200.282 0.262 20 0 BCADHN C[C@H](O)CCNCc1cc2c(cn1)OCCO2 ZINC000638636209 352476925 /nfs/dbraw/zinc/47/69/25/352476925.db2.gz RSWZMOVBXDAYJI-VIFPVBQESA-N 0 3 238.287 0.713 20 0 BCADHN CO[C@H](CNCc1cnc(N)nc1N)C(C)C ZINC000638702963 352543125 /nfs/dbraw/zinc/54/31/25/352543125.db2.gz WPKQBYKEDWNYBW-SECBINFHSA-N 0 3 239.323 0.062 20 0 BCADHN O=C(Cc1ccn[nH]1)N1CCN(C2CCC2)CC1 ZINC000266428734 352549714 /nfs/dbraw/zinc/54/97/14/352549714.db2.gz HWQRTYVUNWSQQJ-UHFFFAOYSA-N 0 3 248.330 0.649 20 0 BCADHN Nc1ncc(CN[C@H]2CC=CCC2)c(N)n1 ZINC000638661888 352505285 /nfs/dbraw/zinc/50/52/85/352505285.db2.gz AHZYLCACDBNQGP-VIFPVBQESA-N 0 3 219.292 0.500 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000638682096 352519397 /nfs/dbraw/zinc/51/93/97/352519397.db2.gz QEHGXZKXQSWSIT-IONNQARKSA-N 0 3 236.275 0.193 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000638682095 352519493 /nfs/dbraw/zinc/51/94/93/352519493.db2.gz QEHGXZKXQSWSIT-CBAPKCEASA-N 0 3 236.275 0.193 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCO[C@H](CCF)C1 ZINC000638683110 352520954 /nfs/dbraw/zinc/52/09/54/352520954.db2.gz CHGAQUXTBRKTKO-AXFHLTTASA-N 0 3 246.326 0.947 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CCO[C@@H](CCF)C1 ZINC000638685501 352524346 /nfs/dbraw/zinc/52/43/46/352524346.db2.gz ZFKXRYRHTGGFNY-VHSXEESVSA-N 0 3 246.326 0.947 20 0 BCADHN C/C=C\CNC(=O)[C@H]1CNCCC1(F)F ZINC000638690411 352526559 /nfs/dbraw/zinc/52/65/59/352526559.db2.gz RIZNRCBVDHUNLW-YAJNLLPGSA-N 0 3 218.247 0.924 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000638695007 352529903 /nfs/dbraw/zinc/52/99/03/352529903.db2.gz KEKAUXLAVUBQAJ-OPRDCNLKSA-N 0 3 212.293 0.407 20 0 BCADHN O=C(N[C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CCCCN1 ZINC000638694585 352531942 /nfs/dbraw/zinc/53/19/42/352531942.db2.gz HBIZKSFBJMBCDI-SRVKXCTJSA-N 0 3 238.331 0.812 20 0 BCADHN NC1(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)CCCC1 ZINC000638695483 352532472 /nfs/dbraw/zinc/53/24/72/352532472.db2.gz OJNQARUBGMXMBT-GHMZBOCLSA-N 0 3 238.331 0.942 20 0 BCADHN O=C(CCOC1CNC1)NC1(C(F)F)CC1 ZINC000638726816 352585846 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IGMJXXMOJAKIAY-UHFFFAOYSA-N 0 3 208.265 0.928 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H](C)Cc1cnccn1 ZINC000638847070 353027097 /nfs/dbraw/zinc/02/70/97/353027097.db2.gz JKPZMFZMBVUFPX-ZJUUUORDSA-N 0 3 236.319 0.522 20 0 BCADHN CNCC(=O)Nc1cncc(N(C)C)c1 ZINC000638846781 353027174 /nfs/dbraw/zinc/02/71/74/353027174.db2.gz CUEMDHLSVAXMRB-UHFFFAOYSA-N 0 3 208.265 0.306 20 0 BCADHN CCNC(=O)[C@H](C)NC[C@@H](OC)[C@H]1CCOC1 ZINC000638847294 353027758 /nfs/dbraw/zinc/02/77/58/353027758.db2.gz NHFZAPMPMGJMIW-GARJFASQSA-N 0 3 244.335 0.152 20 0 BCADHN CCNC(=O)[C@@H](C)NC1CC(n2cccn2)C1 ZINC000638848413 353028493 /nfs/dbraw/zinc/02/84/93/353028493.db2.gz XRSDJACXMVCYCV-KPPDAEKUSA-N 0 3 236.319 0.701 20 0 BCADHN C[C@@H]1C[C@H](N[C@H](CO)c2cnn(C)c2)CS1 ZINC000638814384 352995594 /nfs/dbraw/zinc/99/55/94/352995594.db2.gz YXOZXVQWFVVIHW-DVVUODLYSA-N 0 3 241.360 0.937 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H]1CCN(CC)C1=O ZINC000638825676 353006643 /nfs/dbraw/zinc/00/66/43/353006643.db2.gz 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0.700 20 0 BCADHN Cn1nccc1[C@H]1CCCN(CCO)C1 ZINC000334473036 353118881 /nfs/dbraw/zinc/11/88/81/353118881.db2.gz KVOXFJOOBVJBFG-JTQLQIEISA-N 0 3 209.293 0.592 20 0 BCADHN CC(C)[C@H](O)C(=O)NC[C@@H]1CCCN1C ZINC000352841240 188058881 /nfs/dbraw/zinc/05/88/81/188058881.db2.gz GKQBWCXXSDVPNO-UWVGGRQHSA-N 0 3 214.309 0.214 20 0 BCADHN O=C1[C@@H](N2CCCC2)CCN1C1CCOCC1 ZINC000334146187 188059173 /nfs/dbraw/zinc/05/91/73/188059173.db2.gz BPRNUKIXCGWGSA-LBPRGKRZSA-N 0 3 238.331 0.862 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000334151074 188059182 /nfs/dbraw/zinc/05/91/82/188059182.db2.gz PEKRGFZNEXOHDN-WCQYABFASA-N 0 3 240.347 0.558 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000354688687 188062912 /nfs/dbraw/zinc/06/29/12/188062912.db2.gz VRIOPPCMHMUOES-PWSUYJOCSA-N 0 3 240.347 0.770 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000354625868 188063073 /nfs/dbraw/zinc/06/30/73/188063073.db2.gz TXZRPBIGRLOOMH-DCAQKATOSA-N 0 3 228.336 0.602 20 0 BCADHN CC(C)C[C@H](C)N1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000355903855 188065511 /nfs/dbraw/zinc/06/55/11/188065511.db2.gz HFHIZVXLMPREAL-DCAQKATOSA-N 0 3 228.336 0.996 20 0 BCADHN CC(C)[C@@H](CO)NCC(=O)N1CCC(C)CC1 ZINC000180609389 535202405 /nfs/dbraw/zinc/20/24/05/535202405.db2.gz CWQTYRZFCXSEQR-GFCCVEGCSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ccc[nH]c2=O)CCN1C ZINC000357406197 188065692 /nfs/dbraw/zinc/06/56/92/188065692.db2.gz CNWPXDYVIGNBCM-ZJUUUORDSA-N 0 3 249.314 1.000 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@H](C)Cn1cccn1 ZINC000037619565 358475527 /nfs/dbraw/zinc/47/55/27/358475527.db2.gz FJAPAHPUEYODSI-GHMZBOCLSA-N 0 3 238.335 0.905 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@H](C)CO)N(C)C ZINC000120533573 188074757 /nfs/dbraw/zinc/07/47/57/188074757.db2.gz JDXIBCCWSDYLRA-VHSXEESVSA-N 0 3 216.325 0.317 20 0 BCADHN C1OCC1N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000372323861 188075397 /nfs/dbraw/zinc/07/53/97/188075397.db2.gz BVPZOLBFIFRMMD-STQMWFEESA-N 0 3 240.347 0.618 20 0 BCADHN CC1(C)[C@H](NC(=O)C2(N)CC2)[C@H]2CCCO[C@@H]21 ZINC000376199540 188077074 /nfs/dbraw/zinc/07/70/74/188077074.db2.gz RPFKJIVQNXATTH-BBBLOLIVSA-N 0 3 238.331 0.798 20 0 BCADHN CC(C)[C@H](C(=O)NCC1(O)CCCC1)N(C)C ZINC000122581982 188077541 /nfs/dbraw/zinc/07/75/41/188077541.db2.gz YSVRFKVHQNWQDU-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1CC[C@@H]([C@H](C)O)C1 ZINC000305819067 188079208 /nfs/dbraw/zinc/07/92/08/188079208.db2.gz AWTSEQFRMVRRKP-SDDRHHMPSA-N 0 3 242.363 0.944 20 0 BCADHN CC(C)N(CC(N)=O)C[C@@H]1CCOC1 ZINC000047703750 353153107 /nfs/dbraw/zinc/15/31/07/353153107.db2.gz CNCSYRMCCWAPAG-VIFPVBQESA-N 0 3 200.282 0.219 20 0 BCADHN CC(C)=CC(=O)NC[C@@](C)(O)CN(C)C ZINC000228750470 188081333 /nfs/dbraw/zinc/08/13/33/188081333.db2.gz WDTMLKRIPAWUFJ-LLVKDONJSA-N 0 3 214.309 0.381 20 0 BCADHN CC(=O)NCCCN[C@H](C)c1nccn1C ZINC000330364640 188082611 /nfs/dbraw/zinc/08/26/11/188082611.db2.gz TYEJKFAZYATOKR-SECBINFHSA-N 0 3 224.308 0.597 20 0 BCADHN CC(C)(C)[C@@H](CO)NCC(=O)N1CCC1 ZINC000331994174 188082779 /nfs/dbraw/zinc/08/27/79/188082779.db2.gz FELFJMMESNAWKI-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN C(CN1CCOC[C@H]1C1CC1)C1OCCO1 ZINC000125268791 188085806 /nfs/dbraw/zinc/08/58/06/188085806.db2.gz XUBUMIOSNJYEMW-NSHDSACASA-N 0 3 227.304 0.860 20 0 BCADHN CC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)C(N)=O ZINC000330648498 353175824 /nfs/dbraw/zinc/17/58/24/353175824.db2.gz HWQPIAZLOPBGOC-RKDXNWHRSA-N 0 3 237.307 0.805 20 0 BCADHN CNC(=O)c1ccc(CNCC[C@H](C)O)cc1 ZINC000078780752 188097430 /nfs/dbraw/zinc/09/74/30/188097430.db2.gz SCKGQZIDVJIKRU-JTQLQIEISA-N 0 3 236.315 0.907 20 0 BCADHN COCCNCC(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000638972332 353177563 /nfs/dbraw/zinc/17/75/63/353177563.db2.gz GDUUQVSLHJOYGY-JQWIXIFHSA-N 0 3 226.320 0.671 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H](C)c1ncon1 ZINC000261587606 535205464 /nfs/dbraw/zinc/20/54/64/535205464.db2.gz RUVMTEODPAXQQU-NKWVEPMBSA-N 0 3 212.253 0.230 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)Cc1ccon1 ZINC000261544797 188087795 /nfs/dbraw/zinc/08/77/95/188087795.db2.gz JCLRGULRMAGXIR-VIFPVBQESA-N 0 3 211.265 0.616 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NC[C@@H]1CCCOC1 ZINC000038046153 188116748 /nfs/dbraw/zinc/11/67/48/188116748.db2.gz PDDSKFNDOSDMHV-WDEREUQCSA-N 0 3 228.336 0.903 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cnn2c1CCCC2 ZINC000638978759 353186228 /nfs/dbraw/zinc/18/62/28/353186228.db2.gz NTVHRNAWZLIZPC-MRVPVSSYSA-N 0 3 222.292 0.895 20 0 BCADHN CC(C)(N)C(=O)Nc1cccc(NC(N)=O)c1 ZINC000040922271 188117991 /nfs/dbraw/zinc/11/79/91/188117991.db2.gz ZTHQOKXEABQWKC-UHFFFAOYSA-N 0 3 236.275 0.853 20 0 BCADHN CC(C)[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000131862561 188143997 /nfs/dbraw/zinc/14/39/97/188143997.db2.gz XVXNZRRLRBIHKC-BBBLOLIVSA-N 0 3 213.325 0.179 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000131862561 188143998 /nfs/dbraw/zinc/14/39/98/188143998.db2.gz XVXNZRRLRBIHKC-BBBLOLIVSA-N 0 3 213.325 0.179 20 0 BCADHN Cc1n[nH]cc1CNCC[C@H](C)[S@](C)=O ZINC000132570741 188144984 /nfs/dbraw/zinc/14/49/84/188144984.db2.gz VZCQNQHZSLUESH-VXJOIVPMSA-N 0 3 229.349 0.965 20 0 BCADHN CC(C)N1CCCN(C(=O)[C@H](C)O)CC1 ZINC000334320147 188128938 /nfs/dbraw/zinc/12/89/38/188128938.db2.gz ZEJZOSIKKDYKJS-JTQLQIEISA-N 0 3 214.309 0.310 20 0 BCADHN CCN1CCC[C@@H](NC(=O)Cc2ccon2)C1 ZINC000330965536 353205261 /nfs/dbraw/zinc/20/52/61/353205261.db2.gz RDYRPHYNRIOZNB-LLVKDONJSA-N 0 3 237.303 0.818 20 0 BCADHN Cc1ccc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)nn1 ZINC000412241533 191270122 /nfs/dbraw/zinc/27/01/22/191270122.db2.gz HYTSNXJPTNUIBT-MNOVXSKESA-N 0 3 248.330 0.998 20 0 BCADHN CC(=O)Nc1cccc(CNC(=O)[C@@H](C)N)c1 ZINC000083931916 188143142 /nfs/dbraw/zinc/14/31/42/188143142.db2.gz YVPMMTNQTPYKEJ-MRVPVSSYSA-N 0 3 235.287 0.608 20 0 BCADHN CN(C)CCOc1cc(CNC(N)=O)ccn1 ZINC000134508092 188156302 /nfs/dbraw/zinc/15/63/02/188156302.db2.gz OFZXGDZQWXZQFC-UHFFFAOYSA-N 0 3 238.291 0.190 20 0 BCADHN CN(C(=O)c1ccnn1C)[C@@H]1CCCN(C)C1 ZINC000153622006 188157807 /nfs/dbraw/zinc/15/78/07/188157807.db2.gz NOMRXJYQNKCGCQ-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN CC1(OCC(=O)N2CCC(C)(F)CC2)CNC1 ZINC000638995384 353236997 /nfs/dbraw/zinc/23/69/97/353236997.db2.gz VOAVOARVTZWWTD-UHFFFAOYSA-N 0 3 244.310 0.716 20 0 BCADHN CC(C)N(C)CC(=O)N(C)CCN1CCCC1 ZINC000103115713 188159115 /nfs/dbraw/zinc/15/91/15/188159115.db2.gz SBPCOVWRBFAWEJ-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CC(=O)c1cnc(NC(=O)[C@@H](C)N)s1 ZINC000161086485 188159704 /nfs/dbraw/zinc/15/97/04/188159704.db2.gz WVGUTLBJOADSIS-SCSAIBSYSA-N 0 3 213.262 0.631 20 0 BCADHN Cc1nn(C)cc1CN[C@@H](C)CC[S@](C)=O ZINC000160163780 188159969 /nfs/dbraw/zinc/15/99/69/188159969.db2.gz QMHZKDRMZBCVNR-XXFAHNHDSA-N 0 3 243.376 0.975 20 0 BCADHN CNCC(=O)NCc1cccc2c1CCOC2 ZINC000638989723 353220385 /nfs/dbraw/zinc/22/03/85/353220385.db2.gz RTAASKOZGGXUCL-UHFFFAOYSA-N 0 3 234.299 0.595 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1cn2ccccc2n1 ZINC000163655873 188160250 /nfs/dbraw/zinc/16/02/50/188160250.db2.gz CVUBATNEEVLODY-LBPRGKRZSA-N 0 3 246.314 0.934 20 0 BCADHN CC(C)[C@@H]1C[C@@H](NC2(C(N)=O)CC2)CCO1 ZINC000336692214 188164842 /nfs/dbraw/zinc/16/48/42/188164842.db2.gz XCPSLBIUKCUPLK-UWVGGRQHSA-N 0 3 226.320 0.798 20 0 BCADHN COc1ccccc1CNC[C@@]1(O)CCOC1 ZINC000179027203 188166237 /nfs/dbraw/zinc/16/62/37/188166237.db2.gz WGVKLIFBLQGADW-ZDUSSCGKSA-N 0 3 237.299 0.936 20 0 BCADHN CCN1CCN(CCCn2ccnc2)CC1 ZINC000182621307 188168262 /nfs/dbraw/zinc/16/82/62/188168262.db2.gz VEYHAHSEVPDEAV-UHFFFAOYSA-N 0 3 222.336 0.911 20 0 BCADHN Cc1nn(C)cc1CNCC(C)(C)OCCO ZINC000310157938 188171586 /nfs/dbraw/zinc/17/15/86/188171586.db2.gz HPLRVXMKLRGFER-UHFFFAOYSA-N 0 3 241.335 0.606 20 0 BCADHN C[C@H]1CSC[C@H]1NCC(=O)NCC1CC1 ZINC000336762740 188172336 /nfs/dbraw/zinc/17/23/36/188172336.db2.gz OMMAJTQPFBUYKW-WCBMZHEXSA-N 0 3 228.361 0.854 20 0 BCADHN CC(=O)N[C@@H]1CCN(C[C@H](O)C(C)(C)C)C1 ZINC000304293169 188148987 /nfs/dbraw/zinc/14/89/87/188148987.db2.gz ZEZDUEMOMWWLFR-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)(N)C(=O)NCCc1cccnc1 ZINC000040922675 188149502 /nfs/dbraw/zinc/14/95/02/188149502.db2.gz HGBGLTJGPNANID-UHFFFAOYSA-N 0 3 207.277 0.478 20 0 BCADHN Cn1ccc(C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000268638171 188196591 /nfs/dbraw/zinc/19/65/91/188196591.db2.gz QRJIEZPNHVYKHS-LBPRGKRZSA-N 0 3 233.315 0.945 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cncnc1 ZINC000273848643 188199950 /nfs/dbraw/zinc/19/99/50/188199950.db2.gz RXHFGVHQDBYAEC-LLVKDONJSA-N 0 3 248.330 0.890 20 0 BCADHN C=Cn1cc(CN2CCC[C@H](C(=O)NC)C2)cn1 ZINC000193946308 188175364 /nfs/dbraw/zinc/17/53/64/188175364.db2.gz WXVKDWZPISYOAZ-LBPRGKRZSA-N 0 3 248.330 0.942 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)NCC1=CCN(C)CC1 ZINC000343255798 353251513 /nfs/dbraw/zinc/25/15/13/353251513.db2.gz CTGSHFWJSFDDAU-VXGBXAGGSA-N 0 3 238.331 0.790 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000639003763 353252665 /nfs/dbraw/zinc/25/26/65/353252665.db2.gz GQRBYJICDQTOBL-RFZPGFLSSA-N 0 3 210.199 0.791 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@](O)(C2CC2)C1)N(C)C ZINC000365135863 188178511 /nfs/dbraw/zinc/17/85/11/188178511.db2.gz JXEIUSGZKQJMJR-AAEUAGOBSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)N(C)CC(=O)NCCN1CCC1 ZINC000337611768 188186810 /nfs/dbraw/zinc/18/68/10/188186810.db2.gz YYUMNUXYVOFRPK-UHFFFAOYSA-N 0 3 213.325 0.149 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000365897956 188187627 /nfs/dbraw/zinc/18/76/27/188187627.db2.gz SGOMCUIMVWXQRY-WOPDTQHZSA-N 0 3 240.347 0.556 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@](F)(CO)C1)N(C)C ZINC000338762014 188189120 /nfs/dbraw/zinc/18/91/20/188189120.db2.gz LWWOCQNFESZLCV-ZYHUDNBSSA-N 0 3 246.326 0.506 20 0 BCADHN CC[C@@H](O)CC(=O)NCCN1CCCCC1 ZINC000331302574 353243053 /nfs/dbraw/zinc/24/30/53/353243053.db2.gz CQKSQZZYEKLNEN-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCNC(=O)C(C)C ZINC000040806616 188216143 /nfs/dbraw/zinc/21/61/43/188216143.db2.gz FFCMERDURFQFNY-JTQLQIEISA-N 0 3 243.351 0.248 20 0 BCADHN NCC(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000639017170 353274625 /nfs/dbraw/zinc/27/46/25/353274625.db2.gz BHFGAMNMYFLAKI-NSHDSACASA-N 0 3 238.262 0.764 20 0 BCADHN CCN(CC)CC(=O)N(C)C(C)(C)C(=O)OC ZINC000341866488 188217759 /nfs/dbraw/zinc/21/77/59/188217759.db2.gz SUTUDXCEWOFOAB-UHFFFAOYSA-N 0 3 244.335 0.738 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H](O)Cn1cccn1 ZINC000577858859 366086962 /nfs/dbraw/zinc/08/69/62/366086962.db2.gz ADHMRSCCFVQRBY-LLVKDONJSA-N 0 3 235.291 0.065 20 0 BCADHN C=Cn1cc(CNCCn2cncn2)cn1 ZINC000278919108 188203631 /nfs/dbraw/zinc/20/36/31/188203631.db2.gz UMZYHMBRPZNFLP-UHFFFAOYSA-N 0 3 218.264 0.365 20 0 BCADHN C[C@H](N)C(=O)NCCCNc1ccccn1 ZINC000165238197 353259139 /nfs/dbraw/zinc/25/91/39/353259139.db2.gz PUOUFEOEOPKLJD-VIFPVBQESA-N 0 3 222.292 0.347 20 0 BCADHN O[C@@H](CC1CCCC1)CN1CC[C@H](O)C1 ZINC000188639981 353261466 /nfs/dbraw/zinc/26/14/66/353261466.db2.gz ISSJBVHRZSIOLS-RYUDHWBXSA-N 0 3 213.321 0.994 20 0 BCADHN CN(C(=O)[C@H]1C[C@H](F)CN1)[C@@H]1CCSC1 ZINC000188800564 353266653 /nfs/dbraw/zinc/26/66/53/353266653.db2.gz DXAZPNXKBCTEGY-DJLDLDEBSA-N 0 3 232.324 0.650 20 0 BCADHN CC(=O)C1(C(=O)N2CC[C@H](CN(C)C)C2)CC1 ZINC000340340955 188210950 /nfs/dbraw/zinc/21/09/50/188210950.db2.gz ROGSSPVLPSQIQR-LLVKDONJSA-N 0 3 238.331 0.766 20 0 BCADHN CC(C)[C@H](O)CN1CCCNC(=O)[C@@H]1C ZINC000336417281 188230167 /nfs/dbraw/zinc/23/01/67/188230167.db2.gz IYYJLECFJHOBHO-VHSXEESVSA-N 0 3 214.309 0.214 20 0 BCADHN CC1(C)C[C@@H](N[C@@H]2CCNC2=O)C(C)(C)O1 ZINC000189237164 353281950 /nfs/dbraw/zinc/28/19/50/353281950.db2.gz MKJCWRWTWDFHDF-RKDXNWHRSA-N 0 3 226.320 0.811 20 0 BCADHN CC(C)COCCN(C)[C@@H]1COC[C@@H]1O ZINC000352813686 188232476 /nfs/dbraw/zinc/23/24/76/188232476.db2.gz CQABBAJFSABVAG-MNOVXSKESA-N 0 3 217.309 0.351 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NC[C@H](CC)CCO ZINC000251929400 353293747 /nfs/dbraw/zinc/29/37/47/353293747.db2.gz RBOPOCKUSXLUOM-GMTAPVOTSA-N 0 3 230.352 0.885 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@H](OCC(C)C)C1 ZINC000122326874 324038175 /nfs/dbraw/zinc/03/81/75/324038175.db2.gz PJVQQEQSEFYFEB-QWRGUYRKSA-N 0 3 228.336 0.997 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@H]1CCCO1 ZINC000073614058 353294518 /nfs/dbraw/zinc/29/45/18/353294518.db2.gz FJVHIRUHLMCPIS-SNVBAGLBSA-N 0 3 214.309 0.609 20 0 BCADHN CC(C)[C@@H]1C[C@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000333480905 188227238 /nfs/dbraw/zinc/22/72/38/188227238.db2.gz BKTMGEQYQYLIPZ-OUAUKWLOSA-N 0 3 241.335 0.319 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000336290309 188228391 /nfs/dbraw/zinc/22/83/91/188228391.db2.gz XXYWHHFCKHRCBG-MNOVXSKESA-N 0 3 226.320 0.607 20 0 BCADHN CCn1nc(C)c(CNC[C@@](C)(O)CO)c1C ZINC000307964209 538114845 /nfs/dbraw/zinc/11/48/45/538114845.db2.gz AYKJRJLWWMPGFZ-GFCCVEGCSA-N 0 3 241.335 0.353 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@@H]1C[C@H](C)O ZINC000252697925 353303400 /nfs/dbraw/zinc/30/34/00/353303400.db2.gz KFJFFKSQPLDNSW-WDEREUQCSA-N 0 3 228.336 0.746 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCn2nccc21 ZINC000639034235 353305529 /nfs/dbraw/zinc/30/55/29/353305529.db2.gz AWSBUKSAJFOLSJ-WPRPVWTQSA-N 0 3 222.292 0.603 20 0 BCADHN NC1(C(=O)N2CCn3nccc32)CCCC1 ZINC000639034460 353306875 /nfs/dbraw/zinc/30/68/75/353306875.db2.gz GHQJCZIXBMLUAD-UHFFFAOYSA-N 0 3 220.276 0.501 20 0 BCADHN CCN1CCN(C(=O)c2ccnc(CN)c2)CC1 ZINC000129944550 353333076 /nfs/dbraw/zinc/33/30/76/353333076.db2.gz NIDKFVTUDHQYPX-UHFFFAOYSA-N 0 3 248.330 0.318 20 0 BCADHN CCCCN(CC(N)=O)C[C@@H](C)COC ZINC000189736108 353322035 /nfs/dbraw/zinc/32/20/35/353322035.db2.gz JOKGNIFEBLWRHH-SNVBAGLBSA-N 0 3 216.325 0.856 20 0 BCADHN CC[C@@H](C)[C@@H](CNC1(C(N)=O)CC1)OC ZINC000639043416 353327454 /nfs/dbraw/zinc/32/74/54/353327454.db2.gz VVQRYCYBMIQJEM-RKDXNWHRSA-N 0 3 214.309 0.655 20 0 BCADHN CCN(CCO)CCNCc1snnc1C ZINC000639053536 353355710 /nfs/dbraw/zinc/35/57/10/353355710.db2.gz JCWDFDBSAFCWFY-UHFFFAOYSA-N 0 3 244.364 0.250 20 0 BCADHN CC[C@@H](O)CN1CCN(C[C@@H](O)CC)CC1 ZINC000165471433 353359250 /nfs/dbraw/zinc/35/92/50/353359250.db2.gz HNPZODCRNUBQCK-TXEJJXNPSA-N 0 3 230.352 0.146 20 0 BCADHN C[C@H](CO)NC(=O)NCCN1CCC(C)CC1 ZINC000077753322 353360245 /nfs/dbraw/zinc/36/02/45/353360245.db2.gz RPUXTKKIAAFASE-LLVKDONJSA-N 0 3 243.351 0.398 20 0 BCADHN CCC(CC)[C@H](O)CNCc1cnnn1C ZINC000165497957 353364875 /nfs/dbraw/zinc/36/48/75/353364875.db2.gz DHKKNKWKJVFRDC-LLVKDONJSA-N 0 3 226.324 0.702 20 0 BCADHN CCN(CCC1CC1)Cc1cnc(N)nc1N ZINC000639048206 353340109 /nfs/dbraw/zinc/34/01/09/353340109.db2.gz PBOUJDXKLNAYOZ-UHFFFAOYSA-N 0 3 235.335 0.924 20 0 BCADHN O=C1CCCN1CCN1CCCC[C@H]1CO ZINC000076943890 353347247 /nfs/dbraw/zinc/34/72/47/353347247.db2.gz IISXIKGIKFNCAX-NSHDSACASA-N 0 3 226.320 0.456 20 0 BCADHN CCC[C@H](N)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000037821581 358478231 /nfs/dbraw/zinc/47/82/31/358478231.db2.gz XKMITCUNJUHGEZ-AEJSXWLSSA-N 0 3 241.335 0.226 20 0 BCADHN CCN1CCC[C@@H](NC(=O)NC[C@@H](C)OC)C1 ZINC000190376624 353397671 /nfs/dbraw/zinc/39/76/71/353397671.db2.gz FUZUDCGTDQVFIF-GHMZBOCLSA-N 0 3 243.351 0.805 20 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240.347 0.890 20 0 BCADHN C[C@@H](CO)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000345385996 353668422 /nfs/dbraw/zinc/66/84/22/353668422.db2.gz MLDSJIWGFINTIM-CMPLNLGQSA-N 0 3 240.347 0.890 20 0 BCADHN CC[C@H](C)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000334519871 353675509 /nfs/dbraw/zinc/67/55/09/353675509.db2.gz RSYRHVASZNFBCD-IUCAKERBSA-N 0 3 220.338 0.538 20 0 BCADHN CCNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000178152754 366100903 /nfs/dbraw/zinc/10/09/03/366100903.db2.gz FORRRLRCERAOBG-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)N(C)CC(=O)N1CCCO[C@@H](CF)C1 ZINC000412446315 191285900 /nfs/dbraw/zinc/28/59/00/191285900.db2.gz JMNOQBPEAFDDLB-NSHDSACASA-N 0 3 246.326 0.914 20 0 BCADHN COC[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC000195313168 324201726 /nfs/dbraw/zinc/20/17/26/324201726.db2.gz YEOXBXWHFZFUFC-SNVBAGLBSA-N 0 3 216.325 0.820 20 0 BCADHN O=C1NCC[C@@H]1N1CCN(C2CCCC2)CC1 ZINC000178188882 366103560 /nfs/dbraw/zinc/10/35/60/366103560.db2.gz BDCPUUMPJBQTAA-LBPRGKRZSA-N 0 3 237.347 0.435 20 0 BCADHN 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241.335 0.511 20 0 BCADHN CCCC1(CNC(=O)COC2CNC2)CC1 ZINC000430073439 191297423 /nfs/dbraw/zinc/29/74/23/191297423.db2.gz YGRABJAPOOCTDF-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cnn(C)c1 ZINC000113229170 354287774 /nfs/dbraw/zinc/28/77/74/354287774.db2.gz MZQAZLLPBKEWHA-CMPLNLGQSA-N 0 3 248.330 0.729 20 0 BCADHN CCN1CCC[C@H](NC(=O)C2=CCOCC2)C1 ZINC000334614816 354300072 /nfs/dbraw/zinc/30/00/72/354300072.db2.gz RKRIXCQTPDHKSC-LBPRGKRZSA-N 0 3 238.331 0.934 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1CC(=O)N1CCOCC1 ZINC000334616953 354304532 /nfs/dbraw/zinc/30/45/32/354304532.db2.gz PIVLGGPMPTUCST-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CNCC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000334617984 354306039 /nfs/dbraw/zinc/30/60/39/354306039.db2.gz FJRUYHIMAAYAJH-QMMMGPOBSA-N 0 3 240.225 0.122 20 0 BCADHN CC1CCN(CCN2CC(=O)N[C@@H](C)C2)CC1 ZINC000334618918 354307251 /nfs/dbraw/zinc/30/72/51/354307251.db2.gz IDPVNWIHNDQXFC-LBPRGKRZSA-N 0 3 239.363 0.539 20 0 BCADHN CC1CCN(CCN2CC(=O)N[C@H](C)C2)CC1 ZINC000334618917 354307602 /nfs/dbraw/zinc/30/76/02/354307602.db2.gz IDPVNWIHNDQXFC-GFCCVEGCSA-N 0 3 239.363 0.539 20 0 BCADHN CC[C@@H](C)[C@@H](O)C(=O)NCCN(C)CC ZINC000344574723 354308234 /nfs/dbraw/zinc/30/82/34/354308234.db2.gz KYSHDGNMZJSWRO-NXEZZACHSA-N 0 3 216.325 0.461 20 0 BCADHN Cc1ncc(CN[C@@H]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000344524197 354278555 /nfs/dbraw/zinc/27/85/55/354278555.db2.gz JCWCFUPQGCWCFB-VXGBXAGGSA-N 0 3 248.330 0.919 20 0 BCADHN CCN1CCCN([C@H]2CCN(C)C2=O)CC1 ZINC000334737936 358486747 /nfs/dbraw/zinc/48/67/47/358486747.db2.gz BGHMNVWYOYGDJX-NSHDSACASA-N 0 3 225.336 0.245 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)[nH]n1 ZINC000344600433 354323301 /nfs/dbraw/zinc/32/33/01/354323301.db2.gz MOFOOWHINRFEOC-VHSXEESVSA-N 0 3 236.319 0.931 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000334620707 354357947 /nfs/dbraw/zinc/35/79/47/354357947.db2.gz WQWAZOIPCPTSSR-CABZTGNLSA-N 0 3 239.319 0.854 20 0 BCADHN 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/nfs/dbraw/zinc/53/52/26/355535226.db2.gz HUFIXIIUMOPOEJ-BETUJISGSA-N 0 3 242.363 0.554 20 0 BCADHN Nc1ncc(CNC2(C3CCC3)CC2)c(N)n1 ZINC000639293044 355535591 /nfs/dbraw/zinc/53/55/91/355535591.db2.gz RXUKQQFJQPFDKS-UHFFFAOYSA-N 0 3 233.319 0.724 20 0 BCADHN CCN(CC)CC(=O)N1Cc2cnn(C)c2C1 ZINC000623241984 355540102 /nfs/dbraw/zinc/54/01/02/355540102.db2.gz LUFMHBQNVZQYAZ-UHFFFAOYSA-N 0 3 236.319 0.604 20 0 BCADHN C[C@]1(C(N)=O)CCN(CC(=O)N2CCCC2)C1 ZINC000335829941 355556247 /nfs/dbraw/zinc/55/62/47/355556247.db2.gz VQHXVEVOLYDWFB-LBPRGKRZSA-N 0 3 239.319 0.856 20 0 BCADHN CC(C)[C@@H](O)C(=O)NCCN1CCCCC1 ZINC000349886894 355519425 /nfs/dbraw/zinc/51/94/25/355519425.db2.gz AZOHRGCDQDQWCN-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN N=C(NO)[C@H]1CCCCN1CCn1cncn1 ZINC000368646936 181199783 /nfs/dbraw/zinc/19/97/83/181199783.db2.gz YFIBQBKDTABALJ-SECBINFHSA-N 0 3 238.295 0.089 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1CCN2CCC1CC2 ZINC000335851814 355595531 /nfs/dbraw/zinc/59/55/31/355595531.db2.gz 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BCADHN CCn1cc(CNCCC[C@@H]2CCO2)nn1 ZINC000639309026 355664347 /nfs/dbraw/zinc/66/43/47/355664347.db2.gz GONTUTXSQZUDGM-LLVKDONJSA-N 0 3 224.308 0.957 20 0 BCADHN CC[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1OC)C1CC1 ZINC000639310138 355666312 /nfs/dbraw/zinc/66/63/12/355666312.db2.gz OFLCNTUVDXUOPB-HBNTYKKESA-N 0 3 247.360 0.577 20 0 BCADHN CCN1C[C@H](NCC(=O)NCC2CC2)[C@@H](C)C1 ZINC000350312612 355668123 /nfs/dbraw/zinc/66/81/23/355668123.db2.gz RYHVSYBRLPREND-JQWIXIFHSA-N 0 3 239.363 0.442 20 0 BCADHN C[C@H](CCO)NC(=O)NCCN(C)C1CC1 ZINC000350313041 355668188 /nfs/dbraw/zinc/66/81/88/355668188.db2.gz DXZQPZMOROHUQE-SECBINFHSA-N 0 3 229.324 0.151 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)C(C)S(C)(=O)=O)C1 ZINC000350313981 355669101 /nfs/dbraw/zinc/66/91/01/355669101.db2.gz AENVTWUFNUUCGL-IWSPIJDZSA-N 0 3 249.332 0.103 20 0 BCADHN CC(C)N(C(=O)[C@H]1CCN(C)C1)[C@H]1CCOC1 ZINC000335861751 355624663 /nfs/dbraw/zinc/62/46/63/355624663.db2.gz CEVNTFVZLWOTLB-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN 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CN1CCN(CC2CCCC2)[C@H](CO)C1 ZINC000639336800 355773056 /nfs/dbraw/zinc/77/30/56/355773056.db2.gz LSHVTCOMSYWMHS-LBPRGKRZSA-N 0 3 212.337 0.785 20 0 BCADHN CO[C@H](CN[C@H]1CCNC1=O)C1CCCC1 ZINC000639337079 355775024 /nfs/dbraw/zinc/77/50/24/355775024.db2.gz JOFJIANOIOCJOY-WDEREUQCSA-N 0 3 226.320 0.670 20 0 BCADHN CN1CCN(C[C@H]2CCSC2)[C@@H](CO)C1 ZINC000639332993 355760306 /nfs/dbraw/zinc/76/03/06/355760306.db2.gz DZWFTEXLYXBSDZ-GHMZBOCLSA-N 0 3 230.377 0.348 20 0 BCADHN CS[C@@H]1CC[C@H]1NCCNS(C)(=O)=O ZINC000425350885 191818435 /nfs/dbraw/zinc/81/84/35/191818435.db2.gz GMMIXJWWZBLFRJ-HTQZYQBOSA-N 0 3 238.378 0.019 20 0 BCADHN CN(Cc1cnc(N)nc1N)C[C@@H]1CC1(C)C ZINC000639336374 355770725 /nfs/dbraw/zinc/77/07/25/355770725.db2.gz BVJTWACKOFCABH-VIFPVBQESA-N 0 3 235.335 0.780 20 0 BCADHN CC[C@H](C)CN1CCN(C)C[C@H]1CO ZINC000639337807 355777576 /nfs/dbraw/zinc/77/75/76/355777576.db2.gz VBXGYWONZHDSNZ-QWRGUYRKSA-N 0 3 200.326 0.641 20 0 BCADHN CCOC(=O)C[C@H](O)CN1C[C@@H](O)CC[C@@H]1C ZINC000399162589 355778274 /nfs/dbraw/zinc/77/82/74/355778274.db2.gz AHVRUGVIOFJUFW-DCAQKATOSA-N 0 3 245.319 0.146 20 0 BCADHN Nc1ncc(CNCC[C@H]2CC2(F)F)c(N)n1 ZINC000639338864 355779213 /nfs/dbraw/zinc/77/92/13/355779213.db2.gz NFFODAQRUPOSMC-ZETCQYMHSA-N 0 3 243.261 0.437 20 0 BCADHN CCC[C@H](CN(C)[C@@]1(CO)CCOC1)OC ZINC000639341608 355782937 /nfs/dbraw/zinc/78/29/37/355782937.db2.gz LUDQUOVFSIHHIG-VXGBXAGGSA-N 0 3 231.336 0.885 20 0 BCADHN CC[C@@](C)(CN(C)[C@]1(CO)CCOC1)OC ZINC000639342269 355784742 /nfs/dbraw/zinc/78/47/42/355784742.db2.gz UCBZYLSLLJBCDK-RYUDHWBXSA-N 0 3 231.336 0.885 20 0 BCADHN C[C@@H]1C[C@@H](N(CCO)CCO)CS1 ZINC000639342870 355785559 /nfs/dbraw/zinc/78/55/59/355785559.db2.gz DNQUVWSNIKFVGW-RKDXNWHRSA-N 0 3 205.323 0.167 20 0 BCADHN CC[C@@H](C)[C@@H](CN1C[C@H](O)[C@@H](O)C1)OC ZINC000639347415 355793729 /nfs/dbraw/zinc/79/37/29/355793729.db2.gz IXGQDJCNCOMJPD-VPOLOUISSA-N 0 3 217.309 0.085 20 0 BCADHN CC(C)C1(CN2CCO[C@H](CC(N)=O)C2)CC1 ZINC000639353941 355803298 /nfs/dbraw/zinc/80/32/98/355803298.db2.gz BZUIJJISQRLMRF-LLVKDONJSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@]1(CNCc2cnc(N)nc2N)C[C@H]2C[C@H]2C1 ZINC000639354097 355805195 /nfs/dbraw/zinc/80/51/95/355805195.db2.gz ZLMDOBTWILNSEU-WOFXILAISA-N 0 3 247.346 0.828 20 0 BCADHN CS(=O)(=O)N[C@@H]1CCCN(CCC2CC2)C1 ZINC000608494942 355820437 /nfs/dbraw/zinc/82/04/37/355820437.db2.gz XYKCDRWZDHBTBO-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN CC(C)N[C@H]1CCN(c2ccn(C)n2)C1=O ZINC000079055021 535290774 /nfs/dbraw/zinc/29/07/74/535290774.db2.gz XIHUPGFTTOWTGQ-VIFPVBQESA-N 0 3 222.292 0.523 20 0 BCADHN CO[C@@H](CN[C@@H]1COC[C@@H]1O)C1CCCC1 ZINC000639364334 355834065 /nfs/dbraw/zinc/83/40/65/355834065.db2.gz WDPSHPGFPGOMKY-WOPDTQHZSA-N 0 3 229.320 0.541 20 0 BCADHN NC(=O)C1(NCCc2ccncc2)CC1 ZINC000336744142 181214299 /nfs/dbraw/zinc/21/42/99/181214299.db2.gz YYWNVORSRMQVJN-UHFFFAOYSA-N 0 3 205.261 0.232 20 0 BCADHN CNC(=O)CN1CCCC2(CCOCC2)C1 ZINC000336026146 134057390 /nfs/dbraw/zinc/05/73/90/134057390.db2.gz 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OCCN(CCO)Cc1ccc2nc[nH]c2c1 ZINC000628369452 355875076 /nfs/dbraw/zinc/87/50/76/355875076.db2.gz BGJNKLXQDOQWCR-UHFFFAOYSA-N 0 3 235.287 0.350 20 0 BCADHN NC(=O)C1CCC(NCc2cc[nH]n2)CC1 ZINC000037152754 181216096 /nfs/dbraw/zinc/21/60/96/181216096.db2.gz CQGUJXCXNZIJKN-UHFFFAOYSA-N 0 3 222.292 0.543 20 0 BCADHN O=S(=O)(N[C@H]1CCN2CCCC[C@H]12)C1CC1 ZINC000336034368 134059669 /nfs/dbraw/zinc/05/96/69/134059669.db2.gz KDHGRHZHTROWIY-WDEREUQCSA-N 0 3 244.360 0.695 20 0 BCADHN CN(CC(=O)N1Cc2cnn(C)c2C1)C1CCC1 ZINC000623251643 355829967 /nfs/dbraw/zinc/82/99/67/355829967.db2.gz IXQZRHABFISWOE-UHFFFAOYSA-N 0 3 248.330 0.747 20 0 BCADHN Cc1nnsc1CNCC[C@H](O)C(F)F ZINC000639378778 355913005 /nfs/dbraw/zinc/91/30/05/355913005.db2.gz WRWSAFYIJLZFHV-LURJTMIESA-N 0 3 237.275 0.952 20 0 BCADHN CC[C@H](COC)NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417711272 191914211 /nfs/dbraw/zinc/91/42/11/191914211.db2.gz DXHDERFEKGIQJK-GARJFASQSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@H](O)CCN1CCN(c2ncc[nH]2)CC1 ZINC000520423480 355920756 /nfs/dbraw/zinc/92/07/56/355920756.db2.gz AORRKILSTSQAJZ-JTQLQIEISA-N 0 3 224.308 0.303 20 0 BCADHN NC(=O)CC1(NCc2cccnc2)CCC1 ZINC000336683357 181219384 /nfs/dbraw/zinc/21/93/84/181219384.db2.gz QFKCDKSOESQQNN-UHFFFAOYSA-N 0 3 219.288 0.969 20 0 BCADHN CC(=O)c1ccc(C(=O)NCCC[NH3+])cc1[O-] ZINC000583629770 355933001 /nfs/dbraw/zinc/93/30/01/355933001.db2.gz FESLLTSSKFLUFC-UHFFFAOYSA-N 0 3 236.271 0.673 20 0 BCADHN O=C1CCC[C@H](CNCC2(F)CC2)N1 ZINC000389245821 355934723 /nfs/dbraw/zinc/93/47/23/355934723.db2.gz BUBHEYKDPZWGQA-MRVPVSSYSA-N 0 3 200.257 0.747 20 0 BCADHN CCOC[C@H](C)NC[C@@H](C)S(C)(=O)=O ZINC000389240646 355934729 /nfs/dbraw/zinc/93/47/29/355934729.db2.gz YERIYXNPNWWYHF-DTWKUNHWSA-N 0 3 223.338 0.434 20 0 BCADHN CN(C)CCN(C)C(=O)N[C@@H]1CCSC1 ZINC000351014919 355937749 /nfs/dbraw/zinc/93/77/49/355937749.db2.gz QGXFABYESBDPLF-SECBINFHSA-N 0 3 231.365 0.695 20 0 BCADHN COCCCCN(C)CC(=O)N1CCCC1 ZINC000352096521 134062975 /nfs/dbraw/zinc/06/29/75/134062975.db2.gz HHNSVODQWGUCCZ-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN CC(C)[C@H]1C[C@H](N(CCO)CCO)CS1 ZINC000628370080 355878826 /nfs/dbraw/zinc/87/88/26/355878826.db2.gz VNSLPVSCTAPMQD-WDEREUQCSA-N 0 3 233.377 0.803 20 0 BCADHN Cc1nccc(C(=O)NCCN2CC[C@H](C)C2)n1 ZINC000608613548 355882063 /nfs/dbraw/zinc/88/20/63/355882063.db2.gz ACOBUABJMZICTH-JTQLQIEISA-N 0 3 248.330 0.857 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)C[C@@H]2CCOC2)C1 ZINC000608613929 355882925 /nfs/dbraw/zinc/88/29/25/355882925.db2.gz YKCLGQKTJKJPIW-NEPJUHHUSA-N 0 3 240.347 0.871 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2ccn(C)n2)C1 ZINC000608613956 355883278 /nfs/dbraw/zinc/88/32/78/355883278.db2.gz JZCYFHWDAKHIGF-JTQLQIEISA-N 0 3 236.319 0.492 20 0 BCADHN COCCNCCNC(=O)N[C@H](C)CC1CC1 ZINC000417613622 191905911 /nfs/dbraw/zinc/90/59/11/191905911.db2.gz DHACQENTBQZWNN-SNVBAGLBSA-N 0 3 243.351 0.710 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000167222589 355979167 /nfs/dbraw/zinc/97/91/67/355979167.db2.gz UXOYMAPWHSIUOD-VHSXEESVSA-N 0 3 222.292 0.394 20 0 BCADHN NC(=O)CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000036747425 181224342 /nfs/dbraw/zinc/22/43/42/181224342.db2.gz FDUGHHYXMSTCAO-SNVBAGLBSA-N 0 3 235.287 0.068 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000351496904 356002423 /nfs/dbraw/zinc/00/24/23/356002423.db2.gz YQFZRZBKBMRZNV-OPRDCNLKSA-N 0 3 232.349 0.266 20 0 BCADHN CCOC(=O)C[C@H](C)CNC(=O)[C@H](C)NC ZINC000583641423 355947197 /nfs/dbraw/zinc/94/71/97/355947197.db2.gz PHFIKWDIGVDDDG-IUCAKERBSA-N 0 3 230.308 0.300 20 0 BCADHN C[C@@H](c1ccccn1)N1CC[C@@](O)(C(N)=O)C1 ZINC000351637586 356039503 /nfs/dbraw/zinc/03/95/03/356039503.db2.gz APOCQVBYBSSYGT-CABZTGNLSA-N 0 3 235.287 0.065 20 0 BCADHN CCn1ncnc1CN(C)[C@H]1CN2CCC1CC2 ZINC000639392689 356042496 /nfs/dbraw/zinc/04/24/96/356042496.db2.gz KQGGGHVOKZSPDH-LBPRGKRZSA-N 0 3 249.362 0.824 20 0 BCADHN NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000309563431 181236678 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REDUIRYMRVMREZ-MWLCHTKSSA-N 0 3 239.319 0.780 20 0 BCADHN C[C@@H](NC[C@H](O)CN(C)C1CC1)c1ccon1 ZINC000351611537 356027359 /nfs/dbraw/zinc/02/73/59/356027359.db2.gz REDUIRYMRVMREZ-KOLCDFICSA-N 0 3 239.319 0.780 20 0 BCADHN CN(Cc1cnn(C)c1)[C@H]1CN2CCC1CC2 ZINC000639397674 356106467 /nfs/dbraw/zinc/10/64/67/356106467.db2.gz NMONIEDVSSEFNM-ZDUSSCGKSA-N 0 3 234.347 0.946 20 0 BCADHN CCN(C(=O)[C@H](OC)C1CC1)[C@H]1CCN(C)C1 ZINC000617551696 356108637 /nfs/dbraw/zinc/10/86/37/356108637.db2.gz XEPGKDCPFRNLHD-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(C(=O)[C@@H]1CCO[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000617552855 356109141 /nfs/dbraw/zinc/10/91/41/356109141.db2.gz WLAMWRVYZQEHSW-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(C(=O)[C@@H]1CCCO1)[C@H]1CCN(C)C1 ZINC000617553536 356110722 /nfs/dbraw/zinc/11/07/22/356110722.db2.gz KDEBJKVZZCOJLN-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCN(C)C1 ZINC000617555106 356111876 /nfs/dbraw/zinc/11/18/76/356111876.db2.gz 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239.319 0.693 20 0 BCADHN O=C([C@@H]1CCCN1C1CC1)N1CCOCC1 ZINC000336091222 134078251 /nfs/dbraw/zinc/07/82/51/134078251.db2.gz WUMOPRINISJENT-NSHDSACASA-N 0 3 224.304 0.472 20 0 BCADHN CC(C)[C@@H]1CN([C@H]2CCNC2=O)CCN1C ZINC000336092442 134078836 /nfs/dbraw/zinc/07/88/36/134078836.db2.gz XACMTNIWBJMABJ-QWRGUYRKSA-N 0 3 225.336 0.147 20 0 BCADHN NC(=O)NC1CCN(CCOC2CCC2)CC1 ZINC000332475206 181256344 /nfs/dbraw/zinc/25/63/44/181256344.db2.gz NKZGQPZJGQMKEF-UHFFFAOYSA-N 0 3 241.335 0.688 20 0 BCADHN C[C@H]1COC(C)(C)CN1CCC(=O)N(C)C ZINC000336095859 134080279 /nfs/dbraw/zinc/08/02/79/134080279.db2.gz VKMRCOMGUIXOTB-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN CN(Cc1cncn1C)[C@@H]1CN2CCC1CC2 ZINC000639400224 356137078 /nfs/dbraw/zinc/13/70/78/356137078.db2.gz ZMTBOKSGIJMAJC-CYBMUJFWSA-N 0 3 234.347 0.946 20 0 BCADHN Cc1ccoc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000335913746 356146616 /nfs/dbraw/zinc/14/66/16/356146616.db2.gz KRHAWLUONKVNJL-GFCCVEGCSA-N 0 3 238.287 0.384 20 0 BCADHN COC1CCN(C[C@H]2CCc3ncnn32)CC1 ZINC000639432423 356210309 /nfs/dbraw/zinc/21/03/09/356210309.db2.gz JRJJFWACYIFIHQ-SNVBAGLBSA-N 0 3 236.319 0.876 20 0 BCADHN CCNC(=O)CN(CC)C[C@@H]1CCO[C@H]1C ZINC000639439987 356216218 /nfs/dbraw/zinc/21/62/18/356216218.db2.gz ABUPVPMILQYUSU-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)N1CCN(C[C@@H]2CCc3ncnn32)CC1 ZINC000639439693 356216632 /nfs/dbraw/zinc/21/66/32/356216632.db2.gz HDNNHVGEZSSFOF-LBPRGKRZSA-N 0 3 249.362 0.791 20 0 BCADHN CC(=O)N1CCN(C[C@H]2CCO[C@H]2C)CC1 ZINC000639443710 356221118 /nfs/dbraw/zinc/22/11/18/356221118.db2.gz SFPCPHDZHJHPOV-CMPLNLGQSA-N 0 3 226.320 0.576 20 0 BCADHN CC[C@@]1(O)CCN([C@H]2CCN(C(C)C)C2=O)C1 ZINC000336107389 134083065 /nfs/dbraw/zinc/08/30/65/134083065.db2.gz HHRODEIIORWXDT-WCQYABFASA-N 0 3 240.347 0.843 20 0 BCADHN C[C@H]1OCC[C@H]1CN(C)CC(=O)N(C)C ZINC000639445145 356224046 /nfs/dbraw/zinc/22/40/46/356224046.db2.gz KXBVZIYAJJFBCT-ZJUUUORDSA-N 0 3 214.309 0.431 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCCC[C@H]1C(N)=O ZINC000639444875 356224387 /nfs/dbraw/zinc/22/43/87/356224387.db2.gz GMBAXJSKARQEDT-AXFHLTTASA-N 0 3 226.320 0.751 20 0 BCADHN CC[C@H](C(=O)N[C@H]1Cc2cncn2C1)N(C)C ZINC000623263974 356228044 /nfs/dbraw/zinc/22/80/44/356228044.db2.gz BZFOHNXEVBZKHX-GXSJLCMTSA-N 0 3 236.319 0.264 20 0 BCADHN COCCN1CCN(C[C@H]2CCO[C@@H]2C)CC1 ZINC000639449264 356230102 /nfs/dbraw/zinc/23/01/02/356230102.db2.gz XEBOGTOWQMDSOB-CHWSQXEVSA-N 0 3 242.363 0.675 20 0 BCADHN CN(C)c1nccc(N2C[C@H]3CCC[C@@H](C2)N3)n1 ZINC000420233555 192181976 /nfs/dbraw/zinc/18/19/76/192181976.db2.gz GEMOFYTVUFLAMF-PHIMTYICSA-N 0 3 247.346 0.873 20 0 BCADHN OCCN(C[C@@H]1CCc2ncnn21)C1CC1 ZINC000639451571 356231312 /nfs/dbraw/zinc/23/13/12/356231312.db2.gz RKZVLPMSWHECIG-JTQLQIEISA-N 0 3 222.292 0.222 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@H]1CCO[C@H]1C ZINC000639450145 356234013 /nfs/dbraw/zinc/23/40/13/356234013.db2.gz HSZOTQNRJOPYED-WDEREUQCSA-N 0 3 228.336 0.855 20 0 BCADHN 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ZINC000617689615 356280342 /nfs/dbraw/zinc/28/03/42/356280342.db2.gz NAOSQTYCHQIUAC-DUMNWFOQSA-N 0 3 226.320 0.526 20 0 BCADHN COCCN(C)C[C@H]1CCc2ncnn21 ZINC000639457986 356244028 /nfs/dbraw/zinc/24/40/28/356244028.db2.gz PUADQONZDHGLSQ-SECBINFHSA-N 0 3 210.281 0.344 20 0 BCADHN COC[C@@H]1CCN(CCc2cnccn2)C1 ZINC000639495751 356322442 /nfs/dbraw/zinc/32/24/42/356322442.db2.gz QXHSJFDSSNIVDC-LLVKDONJSA-N 0 3 221.304 0.987 20 0 BCADHN C[C@@H](O)CN(C)C[C@@H]1CCc2ncnn21 ZINC000639499195 356325152 /nfs/dbraw/zinc/32/51/52/356325152.db2.gz HDWYEOILUAAQJX-BDAKNGLRSA-N 0 3 210.281 0.078 20 0 BCADHN CC(C)[C@H](C(=O)NC/C=C/CO)N(C)C ZINC000617686477 356285920 /nfs/dbraw/zinc/28/59/20/356285920.db2.gz JYTUZQFULTWRJJ-BRAIEQGRSA-N 0 3 214.309 0.237 20 0 BCADHN CC(C)[C@@H](C(=O)NC/C=C/CO)N(C)C ZINC000617686479 356286258 /nfs/dbraw/zinc/28/62/58/356286258.db2.gz JYTUZQFULTWRJJ-PORFMDCZSA-N 0 3 214.309 0.237 20 0 BCADHN COc1ccccc1[C@@H]1CNCCN1CC(N)=O ZINC000420319082 192196094 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20 0 BCADHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCn1ccnc1 ZINC000368971882 181275980 /nfs/dbraw/zinc/27/59/80/181275980.db2.gz DNKIQQMOUSIEBL-WOPDTQHZSA-N 0 3 248.330 0.469 20 0 BCADHN CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000352209183 134107612 /nfs/dbraw/zinc/10/76/12/134107612.db2.gz AESNFKGMEIKBEA-SNVBAGLBSA-N 0 3 212.293 0.376 20 0 BCADHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCCF ZINC000368964493 181276147 /nfs/dbraw/zinc/27/61/47/181276147.db2.gz PDDQAWVSHVHLND-UTLUCORTSA-N 0 3 214.284 0.932 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N(CC)C[C@H](C)O ZINC000352209245 134107722 /nfs/dbraw/zinc/10/77/22/134107722.db2.gz AQGBHMXVCFQHMR-GARJFASQSA-N 0 3 230.352 0.992 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCN2C(=O)CC[C@@H]2C1 ZINC000639556944 356461106 /nfs/dbraw/zinc/46/11/06/356461106.db2.gz VECKFMWDBRQLBH-SDDRHHMPSA-N 0 3 238.331 0.718 20 0 BCADHN C[C@@H]1CN(CCc2cncn2C)[C@@H](C)CN1C ZINC000639557560 356462120 /nfs/dbraw/zinc/46/21/20/356462120.db2.gz JPFGUINCUYQLDM-NEPJUHHUSA-N 0 3 236.363 0.987 20 0 BCADHN 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ZINC000420810399 192262635 /nfs/dbraw/zinc/26/26/35/192262635.db2.gz ZLRFJHKPEMPDIQ-QMMMGPOBSA-N 0 3 235.278 0.987 20 0 BCADHN C[C@@H]1CCN(C(=O)C2CCN(C)CC2)[C@@H]1CO ZINC000336171793 134115717 /nfs/dbraw/zinc/11/57/17/134115717.db2.gz UNWHBJCOQIITBF-ZYHUDNBSSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@@H]1CN(CCc2cncn2C)CC[C@@H]1O ZINC000639600405 356520190 /nfs/dbraw/zinc/52/01/90/356520190.db2.gz YFNRFQMUVZQGBT-PWSUYJOCSA-N 0 3 223.320 0.665 20 0 BCADHN CC(=O)N[C@H]1CCN(CC[C@H](C)F)C1 ZINC000420945887 192276220 /nfs/dbraw/zinc/27/62/20/192276220.db2.gz BJMPVCZXQXWTKQ-WPRPVWTQSA-N 0 3 202.273 0.945 20 0 BCADHN FCCCN1CCN2CCOC[C@@H]2C1 ZINC000336180411 134119515 /nfs/dbraw/zinc/11/95/15/134119515.db2.gz HPOHXYYYGMMSGK-JTQLQIEISA-N 0 3 202.273 0.362 20 0 BCADHN COCCCN(CCO)CCc1cnccn1 ZINC000639603366 356523409 /nfs/dbraw/zinc/52/34/09/356523409.db2.gz OWUDEPLTJSWUDX-UHFFFAOYSA-N 0 3 239.319 0.350 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCc2nn[nH]c2C1 ZINC000639605142 356526011 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/nfs/dbraw/zinc/12/43/34/134124334.db2.gz QBYLUTMPDVXOJG-QWRGUYRKSA-N 0 3 240.347 0.964 20 0 BCADHN CN(Cc1ccn(C)n1)C[C@H]1CCCN1C ZINC000420995372 192295008 /nfs/dbraw/zinc/29/50/08/192295008.db2.gz DMZWRVBPRGUDJD-GFCCVEGCSA-N 0 3 222.336 0.946 20 0 BCADHN CN1CC[C@H](c2nc(-c3cncn3C)no2)C1 ZINC000350273927 366268056 /nfs/dbraw/zinc/26/80/56/366268056.db2.gz NOQIXCWATXMNDZ-QMMMGPOBSA-N 0 3 233.275 0.889 20 0 BCADHN COc1cnccc1N1CCN(CC(C)=O)CC1 ZINC000639621550 356541419 /nfs/dbraw/zinc/54/14/19/356541419.db2.gz VRDHLDLOKGOJBY-UHFFFAOYSA-N 0 3 249.314 0.801 20 0 BCADHN CC[C@@H](N[C@@H]1CCCSC1)C(=O)NC ZINC000449772602 202030541 /nfs/dbraw/zinc/03/05/41/202030541.db2.gz IKYWYCBRVCUMHK-RKDXNWHRSA-N 0 3 216.350 0.996 20 0 BCADHN CC[C@H](N[C@@H](C)COC(C)C)C(=O)NC ZINC000449776457 202030580 /nfs/dbraw/zinc/03/05/80/202030580.db2.gz PEJZDKXMROITMM-UWVGGRQHSA-N 0 3 216.325 0.914 20 0 BCADHN CC[C@@H](C(=O)OC)N(C)C[C@@H]1CCCN1C ZINC000420995446 192293776 /nfs/dbraw/zinc/29/37/76/192293776.db2.gz 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CC(C)OCCCN(C)CCN1CCNC1=O ZINC000343805400 535324988 /nfs/dbraw/zinc/32/49/88/535324988.db2.gz BYXDSWMSODICCZ-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NC[C@](C)(O)CN(C)C ZINC000152989744 538468906 /nfs/dbraw/zinc/46/89/06/538468906.db2.gz TXQFITLATVITGH-QXEWZRGKSA-N 0 3 214.309 0.071 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(=O)[nH]c1 ZINC000631128083 356622471 /nfs/dbraw/zinc/62/24/71/356622471.db2.gz VPPKBRGNMGCPCO-GZMMTYOYSA-N 0 3 235.287 0.401 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCN(c2nc[nH]n2)CC1 ZINC000639731880 356625035 /nfs/dbraw/zinc/62/50/35/356625035.db2.gz NHJIVQBEYSPJQL-NXEZZACHSA-N 0 3 221.308 0.583 20 0 BCADHN C[C@H]1C[C@H]1CN1CCN(c2nc[nH]n2)CC1 ZINC000639731881 356625401 /nfs/dbraw/zinc/62/54/01/356625401.db2.gz NHJIVQBEYSPJQL-UWVGGRQHSA-N 0 3 221.308 0.583 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCOC(C)C ZINC000423040528 192549668 /nfs/dbraw/zinc/54/96/68/192549668.db2.gz ULPIDNORCOSGHT-WDEREUQCSA-N 0 3 244.335 0.295 20 0 BCADHN CN1CCN(CCOCCO)C[C@H]1C(C)(C)C ZINC000639745549 356638072 /nfs/dbraw/zinc/63/80/72/356638072.db2.gz KTUKSHUIZVJYSW-LBPRGKRZSA-N 0 3 244.379 0.657 20 0 BCADHN OCCNCc1cnn(CC2CCC2)c1 ZINC000675055884 538476777 /nfs/dbraw/zinc/47/67/77/538476777.db2.gz BFQPCWHBWXRKBZ-UHFFFAOYSA-N 0 3 209.293 0.765 20 0 BCADHN CCC[C@H](O)CN1CCC[C@H]1C(=O)NC ZINC000450282484 202118916 /nfs/dbraw/zinc/11/89/16/202118916.db2.gz HJXPXKPBVJMUMM-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN O=C1CCCN1CCCN1CC[C@H](O)C1 ZINC000542195197 325014318 /nfs/dbraw/zinc/01/43/18/325014318.db2.gz HJMCTULTRSJOAM-JTQLQIEISA-N 0 3 212.293 0.066 20 0 BCADHN Oc1cccc(CNCCN2CC[C@@H](O)C2)c1 ZINC000623756838 356661375 /nfs/dbraw/zinc/66/13/75/356661375.db2.gz HHYCAMWHGVTBIV-CYBMUJFWSA-N 0 3 236.315 0.548 20 0 BCADHN CC(C)OCCNC(=O)[C@H]1CCCCN1 ZINC000159151755 535335713 /nfs/dbraw/zinc/33/57/13/535335713.db2.gz JJPHIUVUTYUIHF-SNVBAGLBSA-N 0 3 214.309 0.670 20 0 BCADHN COC[C@@H](CCO)N[C@H](C)c1cnn(C)c1 ZINC000168047698 134155896 /nfs/dbraw/zinc/15/58/96/134155896.db2.gz YLAHRDUDBCYCOC-MWLCHTKSSA-N 0 3 227.308 0.468 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCCO[C@H](C)C1 ZINC000450347571 202136665 /nfs/dbraw/zinc/13/66/65/202136665.db2.gz PUCWLNXOWYBNHU-KOLCDFICSA-N 0 3 215.293 0.437 20 0 BCADHN CC1(C)[C@H](NCC(=O)Nc2ccncc2)C[C@@H]1O ZINC000578140180 366319398 /nfs/dbraw/zinc/31/93/98/366319398.db2.gz BGFGUKFXGGEFJF-MNOVXSKESA-N 0 3 249.314 0.191 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCCO[C@H](C)C1 ZINC000450347572 202138617 /nfs/dbraw/zinc/13/86/17/202138617.db2.gz PUCWLNXOWYBNHU-MWLCHTKSSA-N 0 3 215.293 0.437 20 0 BCADHN [NH3+][C@@H](C[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000168226167 134160211 /nfs/dbraw/zinc/16/02/11/134160211.db2.gz SDZLKNMZMPQBBO-QMMMGPOBSA-N 0 3 246.357 0.764 20 0 BCADHN CC(=O)[C@H](C)SCC(=O)NCCCN(C)C ZINC000179903684 366332076 /nfs/dbraw/zinc/33/20/76/366332076.db2.gz NSHMDBRWWYGOES-JTQLQIEISA-N 0 3 246.376 0.765 20 0 BCADHN CCOCCN(CC)C[C@H]1COCCO1 ZINC000450390289 202150525 /nfs/dbraw/zinc/15/05/25/202150525.db2.gz LRROQEQACZJXKM-NSHDSACASA-N 0 3 217.309 0.760 20 0 BCADHN C/C=C/CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000623635450 366336955 /nfs/dbraw/zinc/33/69/55/366336955.db2.gz IIJUCNYOBJEENN-PGLGOXFNSA-N 0 3 241.335 0.582 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)NCCOC ZINC000111786863 356698678 /nfs/dbraw/zinc/69/86/78/356698678.db2.gz CIYQUZBPAKGAHF-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN COC1CC(N[C@@H]2CCS(=O)(=O)[C@@H]2C)C1 ZINC000380343182 356707718 /nfs/dbraw/zinc/70/77/18/356707718.db2.gz SFZDDBXRAKWWOU-SEZDTBSWSA-N 0 3 233.333 0.329 20 0 BCADHN O[C@@H]1CC[C@H]2CN(Cc3cncnc3)C[C@@H]12 ZINC000346343120 538525660 /nfs/dbraw/zinc/52/56/60/538525660.db2.gz VUAYREPDUBDEMK-QJPTWQEYSA-N 0 3 219.288 0.679 20 0 BCADHN COCCN1CCC(C(=O)N2CCCC2)CC1 ZINC000054171653 363563319 /nfs/dbraw/zinc/56/33/19/363563319.db2.gz MFVLNSQDKZLGGH-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN COCC[C@@H](C)N1CCN2C(=O)CC[C@@H]2C1 ZINC000346450161 538529141 /nfs/dbraw/zinc/52/91/41/538529141.db2.gz IGPHIIVVRHPHHT-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN CCn1cncc1CN[C@@H](C)CN(C)C ZINC000130267834 325031530 /nfs/dbraw/zinc/03/15/30/325031530.db2.gz RVZKVHUHFMVSIN-JTQLQIEISA-N 0 3 210.325 0.943 20 0 BCADHN COC(=O)CCNC(=O)CNC1(C2CC2)CC1 ZINC000542521522 325033548 /nfs/dbraw/zinc/03/35/48/325033548.db2.gz NGDDQJZXHWRTOH-UHFFFAOYSA-N 0 3 240.303 0.198 20 0 BCADHN C[C@H](CN1CC[C@@H](CO)[C@@H](O)C1)C(F)(F)F ZINC000578180658 366362844 /nfs/dbraw/zinc/36/28/44/366362844.db2.gz RXXXRGZTNWJSQM-VGMNWLOBSA-N 0 3 241.253 0.860 20 0 BCADHN OCC1(CN2CCC[C@H]2c2cn[nH]c2)COC1 ZINC000639779374 356725870 /nfs/dbraw/zinc/72/58/70/356725870.db2.gz WFNMARWEPRSVCM-NSHDSACASA-N 0 3 237.303 0.556 20 0 BCADHN OC[C@@H]1CC[C@@H](CO)N1CCc1ccccn1 ZINC000639780948 356729985 /nfs/dbraw/zinc/72/99/85/356729985.db2.gz VQSFYPXBGWRTDW-STQMWFEESA-N 0 3 236.315 0.442 20 0 BCADHN CN(C)C(=O)CNCc1cccc2n[nH]cc21 ZINC000623339917 356736399 /nfs/dbraw/zinc/73/63/99/356736399.db2.gz PDMWUJUVNUKARV-UHFFFAOYSA-N 0 3 232.287 0.741 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@H](C)COCCOC ZINC000353722384 356716523 /nfs/dbraw/zinc/71/65/23/356716523.db2.gz GRDNTZCERMAQKD-GHMZBOCLSA-N 0 3 246.351 0.672 20 0 BCADHN CCN1CCCC[C@H]1C(=O)NCCC(=O)NC ZINC000354833532 356744745 /nfs/dbraw/zinc/74/47/45/356744745.db2.gz OAQUNQRTODGVMM-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN C[C@@H](O)C[C@H]1CCCCN1CC(N)=O ZINC000163089016 202176469 /nfs/dbraw/zinc/17/64/69/202176469.db2.gz ZNAUUXZDAYYLHQ-RKDXNWHRSA-N 0 3 200.282 0.097 20 0 BCADHN CCc1nnc(CN2CCN(C)[C@H](C)[C@@H]2C)[nH]1 ZINC000355045587 356748566 /nfs/dbraw/zinc/74/85/66/356748566.db2.gz ACZOCNXUGLZEPH-ZJUUUORDSA-N 0 3 237.351 0.892 20 0 BCADHN CCc1nc(CN2CCN(C)[C@H](C)[C@@H]2C)n[nH]1 ZINC000355045587 356748569 /nfs/dbraw/zinc/74/85/69/356748569.db2.gz ACZOCNXUGLZEPH-ZJUUUORDSA-N 0 3 237.351 0.892 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCC(=O)NC(C)C ZINC000578188362 366373550 /nfs/dbraw/zinc/37/35/50/366373550.db2.gz PASBDMBJJFXSSF-GFCCVEGCSA-N 0 3 241.379 0.927 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)N[C@@H](C)COC ZINC000355116176 356750688 /nfs/dbraw/zinc/75/06/88/356750688.db2.gz RTODUBIYOVJGLI-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN CC[NH+](CC)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000623346275 356753729 /nfs/dbraw/zinc/75/37/29/356753729.db2.gz KTFOQXFXGYVEBB-UHFFFAOYSA-N 0 3 238.291 0.254 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCCS1 ZINC000130427457 325051067 /nfs/dbraw/zinc/05/10/67/325051067.db2.gz YCNPIMMGUKTTLC-VIFPVBQESA-N 0 3 212.322 0.800 20 0 BCADHN C[C@@H]1CN(CCc2cnccn2)C[C@H](C)[C@H]1O ZINC000639815417 356795387 /nfs/dbraw/zinc/79/53/87/356795387.db2.gz XWRIYFDCXGTUCE-PJXYFTJBSA-N 0 3 235.331 0.968 20 0 BCADHN COc1cc(NC(=O)[C@@H](C)N)cc(OC)c1 ZINC000019515158 356796689 /nfs/dbraw/zinc/79/66/89/356796689.db2.gz GVXFMKLRLSUWKI-SSDOTTSWSA-N 0 3 224.260 0.990 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@@H](n2ccnn2)CC1 ZINC000639817383 356797749 /nfs/dbraw/zinc/79/77/49/356797749.db2.gz XEEJNZFKTBWVBC-NXEZZACHSA-N 0 3 237.307 0.179 20 0 BCADHN CCN(CC(=O)NC1CCN(C)CC1)C1CC1 ZINC000130437216 325051937 /nfs/dbraw/zinc/05/19/37/325051937.db2.gz XBWBOKJLOHRMNC-UHFFFAOYSA-N 0 3 239.363 0.681 20 0 BCADHN C[C@@]12COC[C@@H]1CN(CCc1cnccn1)C2 ZINC000639824368 356804752 /nfs/dbraw/zinc/80/47/52/356804752.db2.gz JLEVPBVLKHHERU-WCQYABFASA-N 0 3 233.315 0.987 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1CCc1cnccn1 ZINC000639827751 356810278 /nfs/dbraw/zinc/81/02/78/356810278.db2.gz JGUDSYYOMLNXEZ-ZYHUDNBSSA-N 0 3 221.304 0.864 20 0 BCADHN C[C@H](O)[C@H]1CCCN1CCc1cnccn1 ZINC000639827602 356810424 /nfs/dbraw/zinc/81/04/24/356810424.db2.gz JGUDSYYOMLNXEZ-CMPLNLGQSA-N 0 3 221.304 0.864 20 0 BCADHN CC[C@@H](OC)C(=O)NCCN(C)CCCOC ZINC000357341744 356827901 /nfs/dbraw/zinc/82/79/01/356827901.db2.gz LBVGHYZBZCLWPA-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CN2CCC2)C[C@@H](C)O1 ZINC000352997976 538732276 /nfs/dbraw/zinc/73/22/76/538732276.db2.gz FNRPVNSHTOMZAL-UTUOFQBUSA-N 0 3 228.336 0.162 20 0 BCADHN CCO[C@@H]1COCC[C@H]1NCc1cncnc1 ZINC000353151109 538735691 /nfs/dbraw/zinc/73/56/91/538735691.db2.gz JUDYOWXMLHUZEC-VXGBXAGGSA-N 0 3 237.303 0.760 20 0 BCADHN O=C1NCC[C@H]1N1CCC[C@H](n2ccnn2)CC1 ZINC000639845564 356841963 /nfs/dbraw/zinc/84/19/63/356841963.db2.gz WJAGRUSZCYRQBI-WDEREUQCSA-N 0 3 249.318 0.194 20 0 BCADHN CC(C)COCCN1C[C@@H](O)C[C@@]1(C)CO ZINC000639847485 356843409 /nfs/dbraw/zinc/84/34/09/356843409.db2.gz BMNUPIHLDANCPZ-RYUDHWBXSA-N 0 3 231.336 0.477 20 0 BCADHN Cc1cncc(CN2C[C@@H](O)C[C@@]2(C)CO)c1 ZINC000639848349 356845762 /nfs/dbraw/zinc/84/57/62/356845762.db2.gz GXAJBCKBSFMRCD-STQMWFEESA-N 0 3 236.315 0.708 20 0 BCADHN C[C@@]1(CO)C[C@H](O)CN1CCC(F)(F)F ZINC000639850281 356851315 /nfs/dbraw/zinc/85/13/15/356851315.db2.gz UJVDWWVDPJEKMR-YUMQZZPRSA-N 0 3 227.226 0.756 20 0 BCADHN Cc1ccncc1CN1C[C@H](O)C[C@@]1(C)CO ZINC000639855629 356860344 /nfs/dbraw/zinc/86/03/44/356860344.db2.gz WBFIGGKOOHYCBX-OLZOCXBDSA-N 0 3 236.315 0.708 20 0 BCADHN CC[C@H](CO)N1CCN([C@H](C)CCOC)CC1 ZINC000088536401 491104789 /nfs/dbraw/zinc/10/47/89/491104789.db2.gz CIADXXJFVCCHTF-CHWSQXEVSA-N 0 3 244.379 0.800 20 0 BCADHN CC[C@@H](CO)N1CCN([C@H](C)CCOC)CC1 ZINC000088536400 491104795 /nfs/dbraw/zinc/10/47/95/491104795.db2.gz CIADXXJFVCCHTF-OLZOCXBDSA-N 0 3 244.379 0.800 20 0 BCADHN CC(C)CC[C@H](O)CN(CCO)CCCO ZINC000361274033 356919629 /nfs/dbraw/zinc/91/96/29/356919629.db2.gz QDGLZPXFZFQOOC-LBPRGKRZSA-N 0 3 233.352 0.460 20 0 BCADHN CCC[C@@H](O)CN[C@](C)(COC)CC(=O)OC ZINC000450576687 202200164 /nfs/dbraw/zinc/20/01/64/202200164.db2.gz AWHHIALDRXQQMK-PWSUYJOCSA-N 0 3 247.335 0.705 20 0 BCADHN CC(C)CC[C@H](O)CN(C)CC(C)(CO)CO ZINC000361296931 356925908 /nfs/dbraw/zinc/92/59/08/356925908.db2.gz YEWMSLLNZPDRCR-LBPRGKRZSA-N 0 3 247.379 0.706 20 0 BCADHN CCC[C@H](O)CN[C@](C)(COC)CC(=O)OC ZINC000450576686 202201962 /nfs/dbraw/zinc/20/19/62/202201962.db2.gz AWHHIALDRXQQMK-JQWIXIFHSA-N 0 3 247.335 0.705 20 0 BCADHN CCN1CCC[C@H](NC(=O)N(C)C[C@@H](C)O)C1 ZINC000361992980 356940659 /nfs/dbraw/zinc/94/06/59/356940659.db2.gz MZWXIZYCKDRLBV-MNOVXSKESA-N 0 3 243.351 0.493 20 0 BCADHN CCN1CCC[C@@H](NC(=O)N(C)C[C@@H](C)O)C1 ZINC000361992979 356940733 /nfs/dbraw/zinc/94/07/33/356940733.db2.gz MZWXIZYCKDRLBV-GHMZBOCLSA-N 0 3 243.351 0.493 20 0 BCADHN CCCCOC[C@@H](O)CN1CC[C@@H](O)C1 ZINC000193255758 356897433 /nfs/dbraw/zinc/89/74/33/356897433.db2.gz LMBFZRNEEIUEHD-MNOVXSKESA-N 0 3 217.309 0.231 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000130723278 325082472 /nfs/dbraw/zinc/08/24/72/325082472.db2.gz OUKJKMMEKJVAQS-NXEZZACHSA-N 0 3 241.335 0.146 20 0 BCADHN CCN1CCCN(C(=O)N[C@H](C)COC)CC1 ZINC000118894570 356998808 /nfs/dbraw/zinc/99/88/08/356998808.db2.gz UPRTYXCZEWCQPY-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN CCN1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000368863205 356979299 /nfs/dbraw/zinc/97/92/99/356979299.db2.gz PCIBZIHOVCERBO-VIFPVBQESA-N 0 3 238.291 0.722 20 0 BCADHN CCN(C)C(=O)CN1CCCN(CC)CC1 ZINC000369044712 356981809 /nfs/dbraw/zinc/98/18/09/356981809.db2.gz RBOWNLGIFSMCMR-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN CC[C@@H](O)CN1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000369299676 356984298 /nfs/dbraw/zinc/98/42/98/356984298.db2.gz VEYZAGKMTSGNTC-TUAOUCFPSA-N 0 3 229.320 0.637 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C(=O)OC)C(C)(C)C ZINC000129852971 356986830 /nfs/dbraw/zinc/98/68/30/356986830.db2.gz FEZJJMHLSKPYKT-SFYZADRCSA-N 0 3 230.308 0.428 20 0 BCADHN CN1CCN(CCCCF)[C@H](CO)C1 ZINC000639867551 356996655 /nfs/dbraw/zinc/99/66/55/356996655.db2.gz MRFJGOSCWSDZBT-JTQLQIEISA-N 0 3 204.289 0.344 20 0 BCADHN C[C@H](CN[C@@H]1C[C@@H](O)C1(C)C)S(C)(=O)=O ZINC000389860409 357055856 /nfs/dbraw/zinc/05/58/56/357055856.db2.gz DCTVJXMCMXFDOX-IWSPIJDZSA-N 0 3 235.349 0.169 20 0 BCADHN CN1CCN(CCN2CCCCC2)[C@H](CO)C1 ZINC000639872515 357043659 /nfs/dbraw/zinc/04/36/59/357043659.db2.gz QYUQYACYROWDAX-ZDUSSCGKSA-N 0 3 241.379 0.081 20 0 BCADHN O=C1NCC[C@@]12CCCN2CC[C@@H]1CCCO1 ZINC000582309370 357048045 /nfs/dbraw/zinc/04/80/45/357048045.db2.gz BVIRUEJVZVBAIW-AAEUAGOBSA-N 0 3 238.331 0.910 20 0 BCADHN CC(C)CN1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000120521985 357052705 /nfs/dbraw/zinc/05/27/05/357052705.db2.gz HNHLYIHHQRHYJN-LLVKDONJSA-N 0 3 246.376 0.799 20 0 BCADHN CCN1CCC(N(C)C(=O)c2cc[nH]n2)CC1 ZINC000120555751 357053443 /nfs/dbraw/zinc/05/34/43/357053443.db2.gz XSIKPYBNXVOWFE-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN CN1CCN(CC2=CCCC2)[C@@H](CO)C1 ZINC000639869149 357013900 /nfs/dbraw/zinc/01/39/00/357013900.db2.gz ZGFDMDVRCWYBQY-GFCCVEGCSA-N 0 3 210.321 0.705 20 0 BCADHN CCO[C@H]1C[C@H]1NC1CCS(=O)(=O)CC1 ZINC000389897753 357062842 /nfs/dbraw/zinc/06/28/42/357062842.db2.gz BEHUMUJRJHARQD-ZJUUUORDSA-N 0 3 233.333 0.331 20 0 BCADHN COC(=O)N1CC(NC[C@@H]2CCSC2)C1 ZINC000389955082 357072756 /nfs/dbraw/zinc/07/27/56/357072756.db2.gz UAVDJYRCMIPEPB-QMMMGPOBSA-N 0 3 230.333 0.780 20 0 BCADHN CCN1CC[C@@H](NC(=O)NCC(F)(F)F)C1 ZINC000389960891 357074740 /nfs/dbraw/zinc/07/47/40/357074740.db2.gz FXMDUAZJGRMKGU-SSDOTTSWSA-N 0 3 239.241 0.942 20 0 BCADHN Nc1nc(N)nc(N2CCC[C@@H]2C2CCC2)n1 ZINC000623935823 357077417 /nfs/dbraw/zinc/07/74/17/357077417.db2.gz RKFWYSCMVMCRMO-MRVPVSSYSA-N 0 3 234.307 0.466 20 0 BCADHN NC1(C(=O)NCCc2cnccn2)CCCCC1 ZINC000390070148 357082445 /nfs/dbraw/zinc/08/24/45/357082445.db2.gz UHYLELNIEFQBRE-UHFFFAOYSA-N 0 3 248.330 0.797 20 0 BCADHN C[C@](O)(CNCCc1cnccn1)C(F)(F)F ZINC000390004931 357083547 /nfs/dbraw/zinc/08/35/47/357083547.db2.gz LLHNHPPBTSJFAY-VIFPVBQESA-N 0 3 249.236 0.922 20 0 BCADHN COC[C@H](CCO)NC[C@@](C)(O)C(F)(F)F ZINC000390202160 357085899 /nfs/dbraw/zinc/08/58/99/357085899.db2.gz QXCYUILGERRTJT-JGVFFNPUSA-N 0 3 245.241 0.287 20 0 BCADHN CS[C@H](C)CC(=O)NC[C@@H]1CNCCO1 ZINC000578197015 366382802 /nfs/dbraw/zinc/38/28/02/366382802.db2.gz ZYXLAMYMNORMMD-BDAKNGLRSA-N 0 3 232.349 0.233 20 0 BCADHN COCCOC[C@@H](C)NC[C@H](O)C(F)(F)F ZINC000582355762 357098712 /nfs/dbraw/zinc/09/87/12/357098712.db2.gz ZGYZIJHEBBGLEV-SFYZADRCSA-N 0 3 245.241 0.551 20 0 BCADHN Cc1nc(CCN[C@@H](C)c2cnccn2)n[nH]1 ZINC000392411025 357151009 /nfs/dbraw/zinc/15/10/09/357151009.db2.gz AYAZQTSVUDFIQB-QMMMGPOBSA-N 0 3 232.291 0.796 20 0 BCADHN Cc1n[nH]c(CCN[C@@H](C)c2cnccn2)n1 ZINC000392411025 357151011 /nfs/dbraw/zinc/15/10/11/357151011.db2.gz AYAZQTSVUDFIQB-QMMMGPOBSA-N 0 3 232.291 0.796 20 0 BCADHN C[C@@H]1C[C@H](NC2CN(c3ccncn3)C2)CO1 ZINC000631256365 357158706 /nfs/dbraw/zinc/15/87/06/357158706.db2.gz DRDWAUMYQYISLT-ZJUUUORDSA-N 0 3 234.303 0.432 20 0 BCADHN C[C@@H]1C[C@@H](NC2CN(c3ccncn3)C2)CO1 ZINC000631256348 357158948 /nfs/dbraw/zinc/15/89/48/357158948.db2.gz DRDWAUMYQYISLT-NXEZZACHSA-N 0 3 234.303 0.432 20 0 BCADHN CN(CC(F)(F)F)C(=O)C[C@@H]1CNCCO1 ZINC000085619457 357123362 /nfs/dbraw/zinc/12/33/62/357123362.db2.gz WIPVUIQXBUTEKN-SSDOTTSWSA-N 0 3 240.225 0.386 20 0 BCADHN Cc1cc(CNC[C@@H](O)Cn2cccn2)ccn1 ZINC000391190960 357126092 /nfs/dbraw/zinc/12/60/92/357126092.db2.gz RFVDTHJCTVRYMG-CYBMUJFWSA-N 0 3 246.314 0.737 20 0 BCADHN C[C@H]1C[C@@H](NC2CN(c3ccncn3)C2)CCO1 ZINC000631257168 357197394 /nfs/dbraw/zinc/19/73/94/357197394.db2.gz OUXOIAFPPZKNTG-QWRGUYRKSA-N 0 3 248.330 0.822 20 0 BCADHN C[C@H]1OCC[C@@H]1CN1CCC[C@H]1C(N)=O ZINC000639891837 357213983 /nfs/dbraw/zinc/21/39/83/357213983.db2.gz DGYVWHRRAFIICM-BBBLOLIVSA-N 0 3 212.293 0.361 20 0 BCADHN CCC[C@@H](C)NCc1cn(CC(=O)OC)nn1 ZINC000090707825 363579524 /nfs/dbraw/zinc/57/95/24/363579524.db2.gz FRTMYNWERCIUQG-SECBINFHSA-N 0 3 240.307 0.729 20 0 BCADHN O[C@H]1CN(Cc2cccc3n[nH]cc32)C[C@@H]1O ZINC000628415045 357232754 /nfs/dbraw/zinc/23/27/54/357232754.db2.gz DKYNWDVARIQBQZ-RYUDHWBXSA-N 0 3 233.271 0.100 20 0 BCADHN C[C@@H]1C[C@@H](NC2CN(c3ccncn3)C2)[C@@H](C)O1 ZINC000631256439 357175444 /nfs/dbraw/zinc/17/54/44/357175444.db2.gz FARDUWQPKJNADY-CKYFFXLPSA-N 0 3 248.330 0.821 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@@H](CC)N(C)C ZINC000305105834 357184478 /nfs/dbraw/zinc/18/44/78/357184478.db2.gz CYXLFYGQJBJWPL-NXEZZACHSA-N 0 3 216.325 0.604 20 0 BCADHN CCOC[C@@H](C)NCC(C)(C)S(C)(=O)=O ZINC000157137378 538811205 /nfs/dbraw/zinc/81/12/05/538811205.db2.gz ODCYZGOFLQPKNR-SECBINFHSA-N 0 3 237.365 0.824 20 0 BCADHN CO[C@H](C)[C@H](C)NCC(C)(C)S(C)(=O)=O ZINC000157137690 538811321 /nfs/dbraw/zinc/81/13/21/538811321.db2.gz CSORVWLJIXJGMO-DTWKUNHWSA-N 0 3 237.365 0.823 20 0 BCADHN CCN(CC(F)F)C(=O)C1(N)CCOCC1 ZINC000386232521 357274363 /nfs/dbraw/zinc/27/43/63/357274363.db2.gz QULGTWNSOGLPAO-UHFFFAOYSA-N 0 3 236.262 0.608 20 0 BCADHN O[C@H]1CCCC[C@@H]1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000582731301 357375093 /nfs/dbraw/zinc/37/50/93/357375093.db2.gz ZPJKTNCJZNOAIX-NDBYEHHHSA-N 0 3 241.331 0.637 20 0 BCADHN CSC[C@@H](O)CN[C@H]1CC(=O)N(C2CC2)C1 ZINC000582541531 357340763 /nfs/dbraw/zinc/34/07/63/357340763.db2.gz KZTOBLGUDBIIFC-WPRPVWTQSA-N 0 3 244.360 0.063 20 0 BCADHN N[C@@H]1CCCc2cn(CC(=O)NCC3CC3)nc21 ZINC000582600725 357347117 /nfs/dbraw/zinc/34/71/17/357347117.db2.gz AVYVFNLSGHKRTI-LLVKDONJSA-N 0 3 248.330 0.745 20 0 BCADHN CC(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000582736065 357376875 /nfs/dbraw/zinc/37/68/75/357376875.db2.gz RKFQNJZYROAONF-WOPDTQHZSA-N 0 3 242.363 0.802 20 0 BCADHN COC[C@](C)(O)CNCc1ccnn1C(C)C ZINC000394597855 357368110 /nfs/dbraw/zinc/36/81/10/357368110.db2.gz JIQRCYRVZACBFU-GFCCVEGCSA-N 0 3 241.335 0.951 20 0 BCADHN CS(=O)(=O)N1CCC[C@@H](CN2CCCC2)C1 ZINC000085771037 357403356 /nfs/dbraw/zinc/40/33/56/357403356.db2.gz VEHKCJVYEYFZIE-NSHDSACASA-N 0 3 246.376 0.754 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@]1(C)CCOC1 ZINC000394988522 357406681 /nfs/dbraw/zinc/40/66/81/357406681.db2.gz CMDYLISLLVMZHJ-LDYMZIIASA-N 0 3 212.293 0.422 20 0 BCADHN CC(=O)N1CC(N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000583153626 357496518 /nfs/dbraw/zinc/49/65/18/357496518.db2.gz PXEGNHVHSJATNX-SRVKXCTJSA-N 0 3 238.331 0.620 20 0 BCADHN CC(C)COCCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000584389148 357498559 /nfs/dbraw/zinc/49/85/59/357498559.db2.gz SXRFQGJYSMQPHS-RYUDHWBXSA-N 0 3 230.352 0.266 20 0 BCADHN CC[C@H](N)C(=O)Nc1nc(C)ns1 ZINC000131805901 325185236 /nfs/dbraw/zinc/18/52/36/325185236.db2.gz NBTDGDIYQMDYFT-YFKPBYRVSA-N 0 3 200.267 0.522 20 0 BCADHN Cc1ccc(CNC[C@H]2COCCO2)cn1 ZINC000158092317 538850070 /nfs/dbraw/zinc/85/00/70/538850070.db2.gz CISGPLMVLZZRNL-LBPRGKRZSA-N 0 3 222.288 0.895 20 0 BCADHN O[C@@H]1COC[C@H]1N1CC[C@H](c2cccnc2)C1 ZINC000583022074 357451430 /nfs/dbraw/zinc/45/14/30/357451430.db2.gz SFLCCUPJRGQNSY-YNEHKIRRSA-N 0 3 234.299 0.631 20 0 BCADHN C[C@@]1(CNC(=O)CNC2CC2)CCOC1 ZINC000397251402 357510009 /nfs/dbraw/zinc/51/00/09/357510009.db2.gz BXBSWGFCCLMKNY-NSHDSACASA-N 0 3 212.293 0.281 20 0 BCADHN COC(=O)CCN(C)CCN1CCCC1=O ZINC000102516096 357476339 /nfs/dbraw/zinc/47/63/39/357476339.db2.gz UOHIKZDEZVKSPS-UHFFFAOYSA-N 0 3 228.292 0.104 20 0 BCADHN COC[C@H](CO)N[C@@H]1COC(C)(C)C1 ZINC000396825678 357485037 /nfs/dbraw/zinc/48/50/37/357485037.db2.gz BTBSNQUYGKDZIR-IUCAKERBSA-N 0 3 203.282 0.151 20 0 BCADHN C[C@H](C[S@@](C)=O)N[C@H]1COC(C)(C)C1 ZINC000396888364 357486775 /nfs/dbraw/zinc/48/67/75/357486775.db2.gz ILVRPFVYZTVHRN-RFXMVYNHSA-N 0 3 219.350 0.911 20 0 BCADHN O=C(CCc1nnc[nH]1)N1CCN2CCC1CC2 ZINC000188609225 357568071 /nfs/dbraw/zinc/56/80/71/357568071.db2.gz UHAAGQCUJIJOSH-UHFFFAOYSA-N 0 3 249.318 0.044 20 0 BCADHN O=C(CCc1nc[nH]n1)N1CCN2CCC1CC2 ZINC000188609225 357568075 /nfs/dbraw/zinc/56/80/75/357568075.db2.gz UHAAGQCUJIJOSH-UHFFFAOYSA-N 0 3 249.318 0.044 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CC[C@H](OC)C1 ZINC000188783572 357574078 /nfs/dbraw/zinc/57/40/78/357574078.db2.gz OWEFFYOXKJRZFS-AXFHLTTASA-N 0 3 249.376 0.967 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@]1(C)CCOC1 ZINC000397377247 357513667 /nfs/dbraw/zinc/51/36/67/357513667.db2.gz MRXMPXWWVHEBPD-WCBMZHEXSA-N 0 3 200.282 0.137 20 0 BCADHN COC[C@@H](NC(=O)C1(N)CCC1)C1CC1 ZINC000397375420 357514195 /nfs/dbraw/zinc/51/41/95/357514195.db2.gz CWDPHLRHLHZMAZ-SECBINFHSA-N 0 3 212.293 0.409 20 0 BCADHN COCCC(C)(C)CNCc1cn(C)nn1 ZINC000230865072 357574701 /nfs/dbraw/zinc/57/47/01/357574701.db2.gz JWMSGTOYWVJETN-UHFFFAOYSA-N 0 3 226.324 0.967 20 0 BCADHN CO[C@](C)(CNC[C@@H](C)S(C)(=O)=O)C1CC1 ZINC000583199783 357517718 /nfs/dbraw/zinc/51/77/18/357517718.db2.gz HRVNUGCIAQBBAE-MWLCHTKSSA-N 0 3 249.376 0.824 20 0 BCADHN CCOC(=O)COCCN1CCC[C@@H](OC)C1 ZINC000230267872 357520815 /nfs/dbraw/zinc/52/08/15/357520815.db2.gz WAXOWYPKPLIXIW-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN COC(C)(C)CCN1CCN(CCO)CC1 ZINC000230413757 357522693 /nfs/dbraw/zinc/52/26/93/357522693.db2.gz ZYPPFCMGZXQRPH-UHFFFAOYSA-N 0 3 230.352 0.411 20 0 BCADHN C[C@H](CNC(=O)C(C)(C)O)N1CCC(C)CC1 ZINC000188304248 357526646 /nfs/dbraw/zinc/52/66/46/357526646.db2.gz LZSIOSVGSPCIRV-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](NC(=O)[C@H]1C[C@H](F)CN1)[C@@H]1CCCO1 ZINC000188380835 357528928 /nfs/dbraw/zinc/52/89/28/357528928.db2.gz OFWPXXAAMZYEAF-QEYWKRMJSA-N 0 3 230.283 0.370 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)NC1CCN(C)CC1 ZINC000188257935 357536808 /nfs/dbraw/zinc/53/68/08/357536808.db2.gz ZOGBWWAKDYQYAX-VHSXEESVSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@H]1CC[C@H](CN(C)CC(C)(CO)CO)O1 ZINC000188592143 357540925 /nfs/dbraw/zinc/54/09/25/357540925.db2.gz CJIZIBPKSRCQTP-WDEREUQCSA-N 0 3 231.336 0.477 20 0 BCADHN Cc1ncccc1NC(=O)[C@@H]1C[C@@H](O)CN1 ZINC000085727846 357545235 /nfs/dbraw/zinc/54/52/35/357545235.db2.gz YNYGJZQSAHRFPS-SCZZXKLOSA-N 0 3 221.260 0.051 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H](F)CN2)CC(C)(C)O1 ZINC000188433428 357553376 /nfs/dbraw/zinc/55/33/76/357553376.db2.gz MAINRCHVZKZWMJ-KXUCPTDWSA-N 0 3 244.310 0.712 20 0 BCADHN COC(=O)[C@H](C)CN(C)CCc1ccnn1C ZINC000230886075 357577165 /nfs/dbraw/zinc/57/71/65/357577165.db2.gz JCSZMIFHRGCWHQ-SNVBAGLBSA-N 0 3 239.319 0.704 20 0 BCADHN CC[C@](C)(CO)C(=O)N(C)C[C@@H]1CCCN1C ZINC000583213283 357557181 /nfs/dbraw/zinc/55/71/81/357557181.db2.gz BREDNGFJMMNVRD-WCQYABFASA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@](C)(CO)C(=O)N(C)C[C@H]1CCCN1C ZINC000583213282 357557312 /nfs/dbraw/zinc/55/73/12/357557312.db2.gz BREDNGFJMMNVRD-DGCLKSJQSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@H]1CC[C@@H](CN(C)CCN2CCOCC2)O1 ZINC000188549958 357560501 /nfs/dbraw/zinc/56/05/01/357560501.db2.gz YWFCYRZDHZZPAQ-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN CCC(CC)[C@H](O)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188550904 357560696 /nfs/dbraw/zinc/56/06/96/357560696.db2.gz YCTQRYKAVBRMIB-HBNTYKKESA-N 0 3 246.326 0.600 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](N)CC(C)C ZINC000231854499 357627448 /nfs/dbraw/zinc/62/74/48/357627448.db2.gz NHYAPMKRFUEZSG-NXEZZACHSA-N 0 3 243.351 0.343 20 0 BCADHN CC[C@H](C(=O)NC[C@H](C)CCO)N(C)C ZINC000158848397 538869896 /nfs/dbraw/zinc/86/98/96/538869896.db2.gz VVFYKEYPBQYKFQ-NXEZZACHSA-N 0 3 216.325 0.461 20 0 BCADHN CC(C)[C@@H](CCO)NCC(=O)NC(C)(C)C ZINC000231041158 357597300 /nfs/dbraw/zinc/59/73/00/357597300.db2.gz UZUDEUZFZHHWOC-SNVBAGLBSA-N 0 3 230.352 0.898 20 0 BCADHN CC(C)[C@H](CCO)NCC(=O)NC(C)(C)C ZINC000231041162 357597457 /nfs/dbraw/zinc/59/74/57/357597457.db2.gz UZUDEUZFZHHWOC-JTQLQIEISA-N 0 3 230.352 0.898 20 0 BCADHN CN(C)CCOCCNc1ncccn1 ZINC000231207656 357599839 /nfs/dbraw/zinc/59/98/39/357599839.db2.gz HZZXSKABKDRJGS-UHFFFAOYSA-N 0 3 210.281 0.467 20 0 BCADHN CCC[C@@H](C(=O)N1CCN[C@H](C)C1)N(C)C ZINC000189004813 357600692 /nfs/dbraw/zinc/60/06/92/357600692.db2.gz WKGTXAWPENGWID-MNOVXSKESA-N 0 3 227.352 0.537 20 0 BCADHN CCN(CC)C(=O)NCCOCCN(C)C ZINC000231658625 357617499 /nfs/dbraw/zinc/61/74/99/357617499.db2.gz ZBWHOFXZTJBLGD-UHFFFAOYSA-N 0 3 231.340 0.616 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CCC[C@@H](O)C1 ZINC000334404631 535362626 /nfs/dbraw/zinc/36/26/26/535362626.db2.gz IXJFPBCALBQBRY-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C[Si](C)(C)C ZINC000189605332 357649784 /nfs/dbraw/zinc/64/97/84/357649784.db2.gz IVLFYAOYEFTCEK-UWVGGRQHSA-N 0 3 245.395 0.862 20 0 BCADHN COCCO[C@@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000189647630 357652012 /nfs/dbraw/zinc/65/20/12/357652012.db2.gz UGVBTQUUXWQXKH-NWDGAFQWSA-N 0 3 229.320 0.903 20 0 BCADHN CC[C@@]1(CO)CCCN1CC(=O)NCC1CC1 ZINC000189654066 357655631 /nfs/dbraw/zinc/65/56/31/357655631.db2.gz MMZPSHRKAGWLBU-ZDUSSCGKSA-N 0 3 240.347 0.750 20 0 BCADHN CCC(C)(C)NC(=O)CN1CC[C@H](C)[C@@H]1CO ZINC000189721640 357663964 /nfs/dbraw/zinc/66/39/64/357663964.db2.gz UKHCLRIBTHYDLP-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)C[C@@H](CN(C)C)NC(=O)C(C)(C)O ZINC000232599805 357672184 /nfs/dbraw/zinc/67/21/84/357672184.db2.gz DBJRWJSRFUAANH-JTQLQIEISA-N 0 3 230.352 0.850 20 0 BCADHN C=Cn1cc(CN[C@H]2CCC(=O)NC2)cn1 ZINC000232572646 357672197 /nfs/dbraw/zinc/67/21/97/357672197.db2.gz OPOYNOWOCLXVAS-JTQLQIEISA-N 0 3 220.276 0.352 20 0 BCADHN CNC(=O)CCN(C)C[C@H]1CC[C@@H](C)O1 ZINC000190508850 357714331 /nfs/dbraw/zinc/71/43/31/357714331.db2.gz WBHQFMJOUFFWNQ-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CCN(CC)CCN1CCCN(CC)C(=O)C1 ZINC000190217512 357693804 /nfs/dbraw/zinc/69/38/04/357693804.db2.gz DKFSJTYEKCBORL-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)C(F)(F)F)C[C@H]1CO ZINC000190913310 357732648 /nfs/dbraw/zinc/73/26/48/357732648.db2.gz PJZBYFFQJFXUSF-GJMOJQLCSA-N 0 3 227.226 0.470 20 0 BCADHN CCOC[C@H](NC(=O)CNCCOC)C(C)C ZINC000233747543 357743240 /nfs/dbraw/zinc/74/32/40/357743240.db2.gz WNWBWUTWKWHODH-NSHDSACASA-N 0 3 246.351 0.400 20 0 BCADHN CCOC[C@H](NCC(=O)N(C)C)C(C)C ZINC000233770615 357746459 /nfs/dbraw/zinc/74/64/59/357746459.db2.gz VICYUBCEOFXGGD-JTQLQIEISA-N 0 3 216.325 0.725 20 0 BCADHN CCOC[C@H](NCc1cnnn1C)C(C)C ZINC000233780454 357748576 /nfs/dbraw/zinc/74/85/76/357748576.db2.gz HFOYZWIWXCVPHH-NSHDSACASA-N 0 3 226.324 0.966 20 0 BCADHN COC[C@](C)(O)CNCc1ccnc(C)c1 ZINC000623415501 357768348 /nfs/dbraw/zinc/76/83/48/357768348.db2.gz NFEOBVWODSWPRG-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN C[C@H]1COCCN1CCN1CCC(CO)CC1 ZINC000191438316 357770422 /nfs/dbraw/zinc/77/04/22/357770422.db2.gz ZUWBFSNEZLINSK-LBPRGKRZSA-N 0 3 242.363 0.411 20 0 BCADHN CCN(CCCCCOC)CC(N)=O ZINC000191699735 357799986 /nfs/dbraw/zinc/79/99/86/357799986.db2.gz NKGOQXQAUTVDJP-UHFFFAOYSA-N 0 3 202.298 0.610 20 0 BCADHN CNC(=O)NC(=O)CN1C2CCCC1CCC2 ZINC000610370127 357812131 /nfs/dbraw/zinc/81/21/31/357812131.db2.gz VZXILURESCIMKX-UHFFFAOYSA-N 0 3 239.319 0.849 20 0 BCADHN CCC[C@H](CCO)N[C@@H](C)CS(C)(=O)=O ZINC000631667680 357789848 /nfs/dbraw/zinc/78/98/48/357789848.db2.gz FQKLFRKJSMXFET-VHSXEESVSA-N 0 3 237.365 0.560 20 0 BCADHN CCN(CCCOCC(F)(F)F)CC(N)=O ZINC000191715899 357790612 /nfs/dbraw/zinc/79/06/12/357790612.db2.gz ZNILEADDWPAAGX-UHFFFAOYSA-N 0 3 242.241 0.763 20 0 BCADHN C[C@@H](NCCCS(C)(=O)=O)c1ccnn1C ZINC000235182860 357854161 /nfs/dbraw/zinc/85/41/61/357854161.db2.gz YZCYUMCYGFVVJI-SECBINFHSA-N 0 3 245.348 0.505 20 0 BCADHN C[C@H](O)CN1CCCN(c2ccccn2)CC1 ZINC000192802237 357854981 /nfs/dbraw/zinc/85/49/81/357854981.db2.gz QFJMDJBHCGMJSD-LBPRGKRZSA-N 0 3 235.331 0.975 20 0 BCADHN C[C@@H](O)CN1CCCN(c2ccccn2)CC1 ZINC000192802250 357855174 /nfs/dbraw/zinc/85/51/74/357855174.db2.gz QFJMDJBHCGMJSD-GFCCVEGCSA-N 0 3 235.331 0.975 20 0 BCADHN CNCC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000193132939 357864242 /nfs/dbraw/zinc/86/42/42/357864242.db2.gz LCSPTQSHUGEFTF-LLVKDONJSA-N 0 3 235.287 0.281 20 0 BCADHN Cn1cc(CNC(=O)[C@@H](N)C2CCC2)cn1 ZINC000399055352 357894845 /nfs/dbraw/zinc/89/48/45/357894845.db2.gz XBVSZNFKHMPODU-JTQLQIEISA-N 0 3 222.292 0.164 20 0 BCADHN C[C@@H]1OCC[C@@]1(C)NCC(=O)NCC1CC1 ZINC000235437134 357869029 /nfs/dbraw/zinc/86/90/29/357869029.db2.gz JXVYHNZGWCXKSD-JOYOIKCWSA-N 0 3 226.320 0.670 20 0 BCADHN N[C@@H](C(=O)NCCc1ncc[nH]1)C1CCC1 ZINC000399042166 357894929 /nfs/dbraw/zinc/89/49/29/357894929.db2.gz QYYSIXVCXFZVPT-SNVBAGLBSA-N 0 3 222.292 0.196 20 0 BCADHN COC[C@@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000399059318 357895074 /nfs/dbraw/zinc/89/50/74/357895074.db2.gz YLHISMIXWVPCLF-PWSUYJOCSA-N 0 3 240.347 0.999 20 0 BCADHN CCN(CC(C)(C)O)[C@@H](C)C(=O)NC1CC1 ZINC000086274808 357880132 /nfs/dbraw/zinc/88/01/32/357880132.db2.gz RJNHSCNWGKTLFL-VIFPVBQESA-N 0 3 228.336 0.746 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000399111262 357895651 /nfs/dbraw/zinc/89/56/51/357895651.db2.gz ZJKRGJBZCWXMOI-WCBMZHEXSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)C(=O)CNCC1CC1 ZINC000398896925 357890519 /nfs/dbraw/zinc/89/05/19/357890519.db2.gz JVUXQTVRKLZTQQ-ABKXIKBNSA-N 0 3 246.376 0.211 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@H](N)C1CCC1 ZINC000398954400 357891422 /nfs/dbraw/zinc/89/14/22/357891422.db2.gz AZXMGGANKCQFPL-VHSXEESVSA-N 0 3 214.309 0.391 20 0 BCADHN Cc1nccn1CCNC(=O)[C@@H](N)C1CCC1 ZINC000398953654 357892025 /nfs/dbraw/zinc/89/20/25/357892025.db2.gz AMXOABIZZOZHGE-NSHDSACASA-N 0 3 236.319 0.435 20 0 BCADHN CC(C)(C)NC(=O)CNC(=O)[C@H](N)C1CCC1 ZINC000398998877 357892638 /nfs/dbraw/zinc/89/26/38/357892638.db2.gz BLCUHBJXQMYRPK-SNVBAGLBSA-N 0 3 241.335 0.145 20 0 BCADHN Cc1cc(CNC(=O)[C@H](N)C2CCC2)on1 ZINC000399019096 357894091 /nfs/dbraw/zinc/89/40/91/357894091.db2.gz HIFRZSYNEIEDCR-SNVBAGLBSA-N 0 3 223.276 0.727 20 0 BCADHN Cn1cc(CNC(=O)[C@H](N)C2CCC2)cn1 ZINC000399055354 357894539 /nfs/dbraw/zinc/89/45/39/357894539.db2.gz XBVSZNFKHMPODU-SNVBAGLBSA-N 0 3 222.292 0.164 20 0 BCADHN C[C@H]1OCC[C@]1(C)NCC(=O)N1CCCC1 ZINC000235638119 357926047 /nfs/dbraw/zinc/92/60/47/357926047.db2.gz OJBRGDWBXMDLIN-PWSUYJOCSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](Cn1ccnc1)NC(=O)[C@@H](N)C1CCC1 ZINC000399178943 357897947 /nfs/dbraw/zinc/89/79/47/357897947.db2.gz KWJLSBGCXWXDNJ-ONGXEEELSA-N 0 3 236.319 0.515 20 0 BCADHN Cn1cc(CCNC(=O)[C@@H](N)C2CCC2)cn1 ZINC000399215740 357898843 /nfs/dbraw/zinc/89/88/43/357898843.db2.gz ZNJRCSHJQIUUSB-NSHDSACASA-N 0 3 236.319 0.206 20 0 BCADHN CN[C@@H](C)C(=O)N(C)C[C@@H]1CCOC1 ZINC000399244308 357899478 /nfs/dbraw/zinc/89/94/78/357899478.db2.gz JOOOQBXDOLOQMV-IUCAKERBSA-N 0 3 200.282 0.089 20 0 BCADHN Cc1ccc(CN[C@H](C)[C@H](C)O)c(=O)n1C ZINC000583317525 357900745 /nfs/dbraw/zinc/90/07/45/357900745.db2.gz LMAHECOTBOOZLL-ZJUUUORDSA-N 0 3 224.304 0.553 20 0 BCADHN C[C@@H]1C[C@H](C)CN([C@@H]2CC(=O)NC2=O)C1 ZINC000584418250 357915626 /nfs/dbraw/zinc/91/56/26/357915626.db2.gz HYLVQJASECXAAW-HRDYMLBCSA-N 0 3 210.277 0.379 20 0 BCADHN C[C@@H](NC(=O)CN1CC[C@@H](C)C1)c1cn[nH]c1 ZINC000584419471 357917480 /nfs/dbraw/zinc/91/74/80/357917480.db2.gz HJYALRMMNNDEDV-NXEZZACHSA-N 0 3 236.319 0.929 20 0 BCADHN CCN(C)C(=O)CNC[C@H](O)CC1CCCC1 ZINC000218157369 357921323 /nfs/dbraw/zinc/92/13/23/357921323.db2.gz RWEUAMUAPVRPEP-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN CCOC[C@@H](O)CN1CC[C@@H](O)C[C@H]1C ZINC000639942017 357961808 /nfs/dbraw/zinc/96/18/08/357961808.db2.gz UGVTYFIYWIMIPI-MXWKQRLJSA-N 0 3 217.309 0.229 20 0 BCADHN COCCCNC(=O)[C@H](C)NC1CC1 ZINC000020365348 357932773 /nfs/dbraw/zinc/93/27/73/357932773.db2.gz HUWRLMTTWLNUEO-QMMMGPOBSA-N 0 3 200.282 0.280 20 0 BCADHN CN(C)C(=O)CCCN(CC(N)=O)C(C)(C)C ZINC000584446685 357964533 /nfs/dbraw/zinc/96/45/33/357964533.db2.gz RYQKXNGFCAJEHE-UHFFFAOYSA-N 0 3 243.351 0.441 20 0 BCADHN C[C@]12CN(Cc3ccno3)C[C@@]1(C)C(=O)NC2=O ZINC000639948972 357972155 /nfs/dbraw/zinc/97/21/55/357972155.db2.gz JWCOBICSMCEGIB-TXEJJXNPSA-N 0 3 249.270 0.159 20 0 BCADHN CCCCOCCN[C@](C)(CO)COC ZINC000639955614 357977179 /nfs/dbraw/zinc/97/71/79/357977179.db2.gz QOCNVAHLVVVTFW-LLVKDONJSA-N 0 3 219.325 0.790 20 0 BCADHN COC[C@](C)(CO)NC[C@@H](O)CC1CCCC1 ZINC000639956065 357977939 /nfs/dbraw/zinc/97/79/39/357977939.db2.gz CEJKOCRILVEMCR-STQMWFEESA-N 0 3 245.363 0.915 20 0 BCADHN COC[C@@](C)(CO)NC[C@@H]1CC(C)(C)CO1 ZINC000639956041 357978057 /nfs/dbraw/zinc/97/80/57/357978057.db2.gz BKAAGEZAGBJIBL-CMPLNLGQSA-N 0 3 231.336 0.789 20 0 BCADHN COC[C@@](C)(CO)NCCOC[C@H]1CCCO1 ZINC000639956136 357978389 /nfs/dbraw/zinc/97/83/89/357978389.db2.gz UUNPQPIBFBMZGJ-VXGBXAGGSA-N 0 3 247.335 0.169 20 0 BCADHN COC[C@](C)(CO)NC[C@@H]1CC(C)(C)CO1 ZINC000639956042 357978454 /nfs/dbraw/zinc/97/84/54/357978454.db2.gz BKAAGEZAGBJIBL-JQWIXIFHSA-N 0 3 231.336 0.789 20 0 BCADHN COC[C@@](C)(CO)NC[C@H](O)CC1CCCC1 ZINC000639956062 357978475 /nfs/dbraw/zinc/97/84/75/357978475.db2.gz CEJKOCRILVEMCR-CHWSQXEVSA-N 0 3 245.363 0.915 20 0 BCADHN COC[C@@](C)(CO)NCCc1cncc(C)n1 ZINC000639956058 357978482 /nfs/dbraw/zinc/97/84/82/357978482.db2.gz BZSDURBEUUAXSW-GFCCVEGCSA-N 0 3 239.319 0.315 20 0 BCADHN COC[C@](C)(CO)NC[C@H](O)CC1CCCC1 ZINC000639956063 357978490 /nfs/dbraw/zinc/97/84/90/357978490.db2.gz CEJKOCRILVEMCR-OLZOCXBDSA-N 0 3 245.363 0.915 20 0 BCADHN COC[C@](C)(CO)NCCc1cccc(C)n1 ZINC000639956283 357978936 /nfs/dbraw/zinc/97/89/36/357978936.db2.gz DPCQKAXTVAJQOB-ZDUSSCGKSA-N 0 3 238.331 0.920 20 0 BCADHN COC[C@](C)(CO)NC[C@H](O)CCOC(C)C ZINC000639958115 357982152 /nfs/dbraw/zinc/98/21/52/357982152.db2.gz PNHFXJOSCCYEOB-NEPJUHHUSA-N 0 3 249.351 0.149 20 0 BCADHN COC[C@](C)(CO)NCCOCC(F)F ZINC000639958288 357982752 /nfs/dbraw/zinc/98/27/52/357982752.db2.gz RETBWVXFDCMRPJ-VIFPVBQESA-N 0 3 227.251 0.255 20 0 BCADHN COC[C@](C)(CO)NCCC(F)(F)F ZINC000639954819 357986276 /nfs/dbraw/zinc/98/62/76/357986276.db2.gz GRYMYISCKAIKBW-ZETCQYMHSA-N 0 3 215.215 0.926 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)C1(N)CCC1 ZINC000219751846 358008081 /nfs/dbraw/zinc/00/80/81/358008081.db2.gz WIZFXYHHTRIVRB-MRVPVSSYSA-N 0 3 200.282 0.097 20 0 BCADHN CCOC[C@@H](C)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000628453090 358009074 /nfs/dbraw/zinc/00/90/74/358009074.db2.gz HZZVNXQZHTWYCR-OPRDCNLKSA-N 0 3 235.349 0.577 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000168668597 134240517 /nfs/dbraw/zinc/24/05/17/134240517.db2.gz BSWDSZRNOMCGAI-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCC(=O)N(C)CC ZINC000219898841 358014710 /nfs/dbraw/zinc/01/47/10/358014710.db2.gz QQZIREZYRMHCHV-LLVKDONJSA-N 0 3 229.324 0.098 20 0 BCADHN CO[C@@H](C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000168668495 134240839 /nfs/dbraw/zinc/24/08/39/134240839.db2.gz BSWDSZRNOMCGAI-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN Cc1[nH]ncc1CN(C)[C@@H](C)c1nnnn1C ZINC000639970423 358022889 /nfs/dbraw/zinc/02/28/89/358022889.db2.gz FRQFHVROJGRBQJ-QMMMGPOBSA-N 0 3 235.295 0.435 20 0 BCADHN Cc1n[nH]cc1CN(C)CC[C@H]1CCNC1=O ZINC000639970660 358022919 /nfs/dbraw/zinc/02/29/19/358022919.db2.gz HZQXQGFXXXFVPM-SNVBAGLBSA-N 0 3 236.319 0.676 20 0 BCADHN CN(C)C1(CNC(=O)Nc2cncnc2)CC1 ZINC000639991988 358039744 /nfs/dbraw/zinc/03/97/44/358039744.db2.gz BYYHPQDXOZITNT-UHFFFAOYSA-N 0 3 235.291 0.692 20 0 BCADHN CC[C@@H](O)CCNC[C@H](C)S(C)(=O)=O ZINC000584530110 358042148 /nfs/dbraw/zinc/04/21/48/358042148.db2.gz LZHMKYFIFPBYDB-DTWKUNHWSA-N 0 3 223.338 0.170 20 0 BCADHN C[C@@]1(CO)CCCN1CCn1cncn1 ZINC000546811526 325312724 /nfs/dbraw/zinc/31/27/24/325312724.db2.gz GKEQEINIJBQNKA-JTQLQIEISA-N 0 3 210.281 0.125 20 0 BCADHN CC(C)N1CCN(C(=O)CNC2CC2)CC1 ZINC000037477009 358071226 /nfs/dbraw/zinc/07/12/26/358071226.db2.gz VYGGCHDESUDHGN-UHFFFAOYSA-N 0 3 225.336 0.291 20 0 BCADHN CC[C@H]1COCCN1C(=O)CNC1CC1 ZINC000037477021 358071348 /nfs/dbraw/zinc/07/13/48/358071348.db2.gz FZZKRDVNZLIQJB-JTQLQIEISA-N 0 3 212.293 0.376 20 0 BCADHN CC1(C)CN(C(=O)CNC2CC2)CCO1 ZINC000037477017 358071505 /nfs/dbraw/zinc/07/15/05/358071505.db2.gz HWUCLLULWHVOHQ-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN CN(CC(=O)NC(C)(C)C)C(=O)CNC1CC1 ZINC000037495223 358073349 /nfs/dbraw/zinc/07/33/49/358073349.db2.gz RUCUXSAWUCQGNV-UHFFFAOYSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(C(=O)NC)cc1 ZINC000037016196 358064347 /nfs/dbraw/zinc/06/43/47/358064347.db2.gz ZJSXXPPYKTVAIQ-SNVBAGLBSA-N 0 3 235.287 0.722 20 0 BCADHN CNCC(=O)NCCc1ccccc1O ZINC000169809522 134251851 /nfs/dbraw/zinc/25/18/51/134251851.db2.gz FYUKYJXVZBGKEM-UHFFFAOYSA-N 0 3 208.261 0.270 20 0 BCADHN Cc1c([C@@H](C)NC(=O)CNC2CC2)cnn1C ZINC000037609224 358083718 /nfs/dbraw/zinc/08/37/18/358083718.db2.gz XIKWDQYFCIKZMW-MRVPVSSYSA-N 0 3 236.319 0.658 20 0 BCADHN CC[C@@H](N)C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000037826414 358095491 /nfs/dbraw/zinc/09/54/91/358095491.db2.gz UJFUOWYUDXKQFA-GXSJLCMTSA-N 0 3 226.320 0.751 20 0 BCADHN Cc1ncsc1CN(C)C[C@@H]1CNCCO1 ZINC000070650681 491121370 /nfs/dbraw/zinc/12/13/70/491121370.db2.gz JDLZHLVCHKJUGF-JTQLQIEISA-N 0 3 241.360 0.872 20 0 BCADHN CC(C)N(C)CC(=O)N1CCCO[C@@H](C)C1 ZINC000171009495 134254496 /nfs/dbraw/zinc/25/44/96/134254496.db2.gz DIYRINMMFXLQHB-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN CCn1nccc1CNC(=O)[C@@H](N)C1CCC1 ZINC000663001189 491121586 /nfs/dbraw/zinc/12/15/86/491121586.db2.gz QPGRGBGKYRUXBM-NSHDSACASA-N 0 3 236.319 0.647 20 0 BCADHN NC(=O)c1ccc(CN2CC[C@@H](CO)C2)cc1 ZINC000051886913 181295006 /nfs/dbraw/zinc/29/50/06/181295006.db2.gz PIMRAESDDPOKJR-LLVKDONJSA-N 0 3 234.299 0.600 20 0 BCADHN CC[C@]1(O)CCCN([C@@H](C)C(=O)N(C)C)C1 ZINC000640029455 358122009 /nfs/dbraw/zinc/12/20/09/358122009.db2.gz GOWFYNOGXGYCJR-JQWIXIFHSA-N 0 3 228.336 0.700 20 0 BCADHN COC[C@@H](C)N1C[C@@H]2C[C@H]1CN2[C@@H](C)COC ZINC000640048916 358134568 /nfs/dbraw/zinc/13/45/68/358134568.db2.gz LYFWZIHZYKKYDF-RNJOBUHISA-N 0 3 242.363 0.815 20 0 BCADHN CC[C@]1(O)CCCN([C@H](C)C(=O)NC2CC2)C1 ZINC000640032241 358125149 /nfs/dbraw/zinc/12/51/49/358125149.db2.gz ZWPAVEFQGVLCDH-MFKMUULPSA-N 0 3 240.347 0.890 20 0 BCADHN CC[C@@]1(O)CCCN(CCn2cncn2)C1 ZINC000640033495 358125781 /nfs/dbraw/zinc/12/57/81/358125781.db2.gz RTSCSMAPHJRABD-LLVKDONJSA-N 0 3 224.308 0.515 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@](O)(CC)C1 ZINC000640034211 358126785 /nfs/dbraw/zinc/12/67/85/358126785.db2.gz ZWZMTXNILSISLY-GXSJLCMTSA-N 0 3 214.309 0.487 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC000583881121 358115122 /nfs/dbraw/zinc/11/51/22/358115122.db2.gz SGIQFZDTJGQAED-UWVGGRQHSA-N 0 3 242.319 0.254 20 0 BCADHN COc1ccc(C)cc1CNC[C@H](O)CO ZINC000085246937 134256220 /nfs/dbraw/zinc/25/62/20/134256220.db2.gz LAMGIGCGKMZBFT-NSHDSACASA-N 0 3 225.288 0.446 20 0 BCADHN CC(C)C(=O)N1CCCN(CCCCO)CC1 ZINC000171065875 134257208 /nfs/dbraw/zinc/25/72/08/134257208.db2.gz DCXPGBRCFSJNGB-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN CC1(F)CCN(CC2(CO)COC2)CC1 ZINC000640071758 358162950 /nfs/dbraw/zinc/16/29/50/358162950.db2.gz GEGSAAOBVODPEX-UHFFFAOYSA-N 0 3 217.284 0.819 20 0 BCADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)NC)C1 ZINC000052395881 358168820 /nfs/dbraw/zinc/16/88/20/358168820.db2.gz TWFMJQDXTZBLSX-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN Cc1ncc(CC(=O)NCC2=CCN(C)CC2)o1 ZINC000640076759 358173481 /nfs/dbraw/zinc/17/34/81/358173481.db2.gz VYXPSTQBUPEIGZ-UHFFFAOYSA-N 0 3 249.314 0.904 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CC(N(C)C)C2)C1 ZINC000584789610 358178829 /nfs/dbraw/zinc/17/88/29/358178829.db2.gz ZNCXVEZKEUZIQU-JTQLQIEISA-N 0 3 225.336 0.101 20 0 BCADHN CN(C)C(=O)CN1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000640092598 358185170 /nfs/dbraw/zinc/18/51/70/358185170.db2.gz VODBOXKNCMJDME-WOPDTQHZSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@@H]1CN(C[C@](C)(O)C(C)=O)C[C@@H]1O ZINC000450636554 202219260 /nfs/dbraw/zinc/21/92/60/202219260.db2.gz NILZDANDNOLKME-VWYCJHECSA-N 0 3 215.293 0.029 20 0 BCADHN NC(=O)CN1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640094883 358187811 /nfs/dbraw/zinc/18/78/11/358187811.db2.gz JMZGRZFOFHDSSJ-GUBZILKMSA-N 0 3 212.293 0.097 20 0 BCADHN CCC[C@@H](O)CN1CCSC[C@@H]1CO ZINC000450647481 202224466 /nfs/dbraw/zinc/22/44/66/202224466.db2.gz WUQVHRLRUPIXBB-VHSXEESVSA-N 0 3 219.350 0.557 20 0 BCADHN CNC(=O)CN1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000640097122 358193103 /nfs/dbraw/zinc/19/31/03/358193103.db2.gz ZETTUHXMFSLDSD-VWYCJHECSA-N 0 3 226.320 0.358 20 0 BCADHN CC(C)N1CC[C@@H](NCC2(O)CCC2)C1=O ZINC000584834651 358197391 /nfs/dbraw/zinc/19/73/91/358197391.db2.gz FWSBVSKFWRWCKU-SNVBAGLBSA-N 0 3 226.320 0.500 20 0 BCADHN CO[C@@H](C)CNC(=O)C[C@@H]1CSCCN1 ZINC000223761855 358230323 /nfs/dbraw/zinc/23/03/23/358230323.db2.gz XXROXIYWPUIZAN-DTWKUNHWSA-N 0 3 232.349 0.233 20 0 BCADHN O=C(CNC1CC1)NCC[C@H]1CCCCO1 ZINC000224091354 358230853 /nfs/dbraw/zinc/23/08/53/358230853.db2.gz NIKQFSNPVZYEIN-LLVKDONJSA-N 0 3 226.320 0.814 20 0 BCADHN CCC(=O)NCCNC[C@@H](O)c1ccccc1 ZINC000040504354 358238347 /nfs/dbraw/zinc/23/83/47/358238347.db2.gz XDFFVHXTBRAEAI-GFCCVEGCSA-N 0 3 236.315 0.836 20 0 BCADHN CCCCCN(CC[C@@H](C)O)CC(N)=O ZINC000450707965 202240140 /nfs/dbraw/zinc/24/01/40/202240140.db2.gz MHYNUZMCQFXECF-SNVBAGLBSA-N 0 3 216.325 0.735 20 0 BCADHN NC(=O)c1cccc(CNC(=O)CNC2CC2)c1 ZINC000040832074 358246800 /nfs/dbraw/zinc/24/68/00/358246800.db2.gz IWFYAIALTOVUBS-UHFFFAOYSA-N 0 3 247.298 0.154 20 0 BCADHN CCOC(=O)CCCN1CC[C@@H](O)C1 ZINC000172275326 134265032 /nfs/dbraw/zinc/26/50/32/134265032.db2.gz PPJCUFDQJGPDHP-SECBINFHSA-N 0 3 201.266 0.396 20 0 BCADHN NC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000172297008 134265074 /nfs/dbraw/zinc/26/50/74/134265074.db2.gz BNYWJDXABYYNEM-SNVBAGLBSA-N 0 3 227.308 0.298 20 0 BCADHN COC[C@H](NCC(=O)NCC1CC1)C1CC1 ZINC000134619718 325368115 /nfs/dbraw/zinc/36/81/15/325368115.db2.gz CULPHXSJOMGECM-NSHDSACASA-N 0 3 226.320 0.527 20 0 BCADHN CCNS(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000172454214 134266236 /nfs/dbraw/zinc/26/62/36/134266236.db2.gz HJHQEHVYSGDTOD-SNVBAGLBSA-N 0 3 247.364 0.011 20 0 BCADHN CCC[C@H](O)CN(C)[C@H](C)C[S@](C)=O ZINC000450720738 202244140 /nfs/dbraw/zinc/24/41/40/202244140.db2.gz UQUKIZVQYIWLMT-BFVZDQMLSA-N 0 3 221.366 0.846 20 0 BCADHN CCOCC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000334225694 535413077 /nfs/dbraw/zinc/41/30/77/535413077.db2.gz YTLYCYRDJKKHKU-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN CN(CCN(C)C1CC1)C[C@H]1COCCO1 ZINC000450761230 202257756 /nfs/dbraw/zinc/25/77/56/202257756.db2.gz RRKZZWWTUYRSEK-LBPRGKRZSA-N 0 3 228.336 0.428 20 0 BCADHN CC(C)n1cc(CN(C)CC2CN(C)C2)nn1 ZINC000668539462 491127460 /nfs/dbraw/zinc/12/74/60/491127460.db2.gz WWYKOQODEQHPAA-UHFFFAOYSA-N 0 3 237.351 0.852 20 0 BCADHN COc1ncc(CN[C@@H](C)[C@@H](C)CO)c(C)n1 ZINC000450739135 202250876 /nfs/dbraw/zinc/25/08/76/202250876.db2.gz PQPIVOUEUGZWNW-IUCAKERBSA-N 0 3 239.319 0.900 20 0 BCADHN CC(C)(O)CN(C[C@@H]1COCCO1)C1CC1 ZINC000450775018 202261681 /nfs/dbraw/zinc/26/16/81/202261681.db2.gz AQEORZHYDKFPFG-LLVKDONJSA-N 0 3 229.320 0.637 20 0 BCADHN CN(C1CNC1)S(=O)(=O)c1ccccc1F ZINC000085257832 134271410 /nfs/dbraw/zinc/27/14/10/134271410.db2.gz PSGVZRFNHCAMPX-UHFFFAOYSA-N 0 3 244.291 0.418 20 0 BCADHN CN(C1CNC1)S(=O)(=O)c1cccc(F)c1 ZINC000085257831 134271435 /nfs/dbraw/zinc/27/14/35/134271435.db2.gz GCMLAVVOTMHCPM-UHFFFAOYSA-N 0 3 244.291 0.418 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC[C@@H]1CCCCO1 ZINC000134732940 325373345 /nfs/dbraw/zinc/37/33/45/325373345.db2.gz ZCAZFIGOZZBJMB-QWRGUYRKSA-N 0 3 249.376 0.968 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N[C@H]1CCSC1 ZINC000226357697 358337143 /nfs/dbraw/zinc/33/71/43/358337143.db2.gz MHTJQZUNTKELFS-JGVFFNPUSA-N 0 3 216.350 0.982 20 0 BCADHN CCOC(=O)CCN[C@H](C(N)=O)C(C)(C)C ZINC000173343340 134273796 /nfs/dbraw/zinc/27/37/96/134273796.db2.gz YAIXOFOHNYOIJJ-SECBINFHSA-N 0 3 230.308 0.429 20 0 BCADHN Cc1nc(CCNC(=O)CNC2CC2)cs1 ZINC000229090444 358345284 /nfs/dbraw/zinc/34/52/84/358345284.db2.gz OFNKJAJOWMPDEO-UHFFFAOYSA-N 0 3 239.344 0.862 20 0 BCADHN CO[C@@H](CN)C(=O)N(Cc1ccccn1)C1CC1 ZINC000227363303 358354787 /nfs/dbraw/zinc/35/47/87/358354787.db2.gz BHDUVVFQGXEOAT-LBPRGKRZSA-N 0 3 249.314 0.546 20 0 BCADHN COC(=O)Cn1cc(CNC2CCCC2)nn1 ZINC000120005633 491129471 /nfs/dbraw/zinc/12/94/71/491129471.db2.gz ITGXOKPRDYDCEN-UHFFFAOYSA-N 0 3 238.291 0.483 20 0 BCADHN CCN(Cc1ccncc1)C(=O)[C@H](CN)OC ZINC000227368379 358355207 /nfs/dbraw/zinc/35/52/07/358355207.db2.gz KSEWJGULUHALTR-NSHDSACASA-N 0 3 237.303 0.404 20 0 BCADHN CN[C@H](C)C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000227157784 358350860 /nfs/dbraw/zinc/35/08/60/358350860.db2.gz ZLSZHQDIZYMKNU-BBBLOLIVSA-N 0 3 212.293 0.374 20 0 BCADHN O=C(C[C@@H]1CSCCN1)N[C@@H]1CCSC1 ZINC000227210092 358352493 /nfs/dbraw/zinc/35/24/93/358352493.db2.gz UCYYZKGYHBFHKJ-RKDXNWHRSA-N 0 3 246.401 0.703 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000227385243 358355328 /nfs/dbraw/zinc/35/53/28/358355328.db2.gz VNUCKCDQGFULJG-HRDYMLBCSA-N 0 3 232.349 0.313 20 0 BCADHN C[C@H](O)C[C@H](C)NC[C@@H](O)C(F)(F)F ZINC000228106206 358369201 /nfs/dbraw/zinc/36/92/01/358369201.db2.gz KHVJDMGFPTVCIY-LYFYHCNISA-N 0 3 215.215 0.659 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1cnc(N)cn1 ZINC000228575502 358380016 /nfs/dbraw/zinc/38/00/16/358380016.db2.gz BMYHZLKVDVJHKX-SECBINFHSA-N 0 3 249.318 0.273 20 0 BCADHN COC[C@H](O)CNCc1ccc(OC)cc1F ZINC000228598374 358380942 /nfs/dbraw/zinc/38/09/42/358380942.db2.gz OJXFHCUUAKAQJJ-SNVBAGLBSA-N 0 3 243.278 0.931 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc(C)nc1 ZINC000227394660 358355977 /nfs/dbraw/zinc/35/59/77/358355977.db2.gz IUPGZOGVMROVJA-VIFPVBQESA-N 0 3 209.249 0.302 20 0 BCADHN CCN(CC(=O)N1CC(N(C)C)C1)C1CC1 ZINC000134923330 325382989 /nfs/dbraw/zinc/38/29/89/325382989.db2.gz XBMOLWOOIQXDHZ-UHFFFAOYSA-N 0 3 225.336 0.243 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@@H](C)c1nccs1 ZINC000227418922 358356533 /nfs/dbraw/zinc/35/65/33/358356533.db2.gz UCPJBMPPJWEAFS-HTQZYQBOSA-N 0 3 243.332 0.337 20 0 BCADHN O=C(NC[C@H]1CNCCO1)[C@H]1CC=CCC1 ZINC000227784881 358363696 /nfs/dbraw/zinc/36/36/96/358363696.db2.gz CNOJSZMTUHDVBM-WDEREUQCSA-N 0 3 224.304 0.447 20 0 BCADHN CN[C@@H](C)C(=O)NCC(F)(F)C(F)F ZINC000230695981 358410371 /nfs/dbraw/zinc/41/03/71/358410371.db2.gz NTKFHPVIDIBNEK-BYPYZUCNSA-N 0 3 216.178 0.611 20 0 BCADHN CC(C)[C@@H](O)CNC[C@H](O)C(F)(F)F ZINC000229983688 358388212 /nfs/dbraw/zinc/38/82/12/358388212.db2.gz TXSACRJZMSNXGZ-BQBZGAKWSA-N 0 3 215.215 0.516 20 0 BCADHN CC[C@H](O)CN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000219275516 134277109 /nfs/dbraw/zinc/27/71/09/134277109.db2.gz GFZDDYFBIMPSJC-DCAQKATOSA-N 0 3 200.326 0.782 20 0 BCADHN O=C(CNC1CC1)N[C@H]1CCN(C2CC2)C1 ZINC000044726830 358392563 /nfs/dbraw/zinc/39/25/63/358392563.db2.gz HIAKJRCWKUSBOS-JTQLQIEISA-N 0 3 223.320 0.091 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@@H](C)N)CC[C@@H]1C ZINC000230242356 358395917 /nfs/dbraw/zinc/39/59/17/358395917.db2.gz WLICRZLGDIZXSU-DJLDLDEBSA-N 0 3 200.282 0.217 20 0 BCADHN CCCCOCCCNC(=O)[C@H](C)NC ZINC000229345722 358402625 /nfs/dbraw/zinc/40/26/25/358402625.db2.gz PMQBELULCVUIEY-JTQLQIEISA-N 0 3 216.325 0.917 20 0 BCADHN CCOC(=O)CN(CC)C[C@H]1CCCN1C ZINC000387299896 363609650 /nfs/dbraw/zinc/60/96/50/363609650.db2.gz AJSLSKGATYCWBE-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCc1cnc(CNC(=O)C(C)(C)N)o1 ZINC000231644984 358417577 /nfs/dbraw/zinc/41/75/77/358417577.db2.gz CQSPILDORAYAHD-UHFFFAOYSA-N 0 3 211.265 0.591 20 0 BCADHN CCc1cnc(CNC(=O)[C@H]2CCCCN2)o1 ZINC000231645351 358417827 /nfs/dbraw/zinc/41/78/27/358417827.db2.gz JKJCMQPGIGKTFG-SNVBAGLBSA-N 0 3 237.303 0.995 20 0 BCADHN CCc1cnc(CNC(=O)[C@@H](N)CC)o1 ZINC000231646644 358417962 /nfs/dbraw/zinc/41/79/62/358417962.db2.gz XHZJSJBOEKTXPY-QMMMGPOBSA-N 0 3 211.265 0.591 20 0 BCADHN CCN(CC)C[C@@H](C)NS(=O)(=O)N(C)C ZINC000389658276 358429392 /nfs/dbraw/zinc/42/93/92/358429392.db2.gz ZZTQAXMMPOCJOI-SECBINFHSA-N 0 3 237.369 0.113 20 0 BCADHN CCN(C)C[C@@H](O)CSc1nncs1 ZINC000379509179 358522461 /nfs/dbraw/zinc/52/24/61/358522461.db2.gz VDPHJNXIRSDUSU-SSDOTTSWSA-N 0 3 233.362 0.943 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726821 358552874 /nfs/dbraw/zinc/55/28/74/358552874.db2.gz VIUWAHVYCOLJPD-KOLCDFICSA-N 0 3 225.336 0.467 20 0 BCADHN CCN(CC(=O)NC(N)=O)CC(C)C ZINC000046064669 358569389 /nfs/dbraw/zinc/56/93/89/358569389.db2.gz XBEYDPDOKZDIHM-UHFFFAOYSA-N 0 3 201.270 0.159 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N1CCC(CO)CC1 ZINC000046091547 358570523 /nfs/dbraw/zinc/57/05/23/358570523.db2.gz KFYKUSFJGPCUQL-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCc1cnn(C)c1 ZINC000128118469 358571018 /nfs/dbraw/zinc/57/10/18/358571018.db2.gz RCYWJXUCBZCMNK-LLVKDONJSA-N 0 3 238.335 0.596 20 0 BCADHN COC(=O)CCCN1CCN(CC2CC2)CC1 ZINC000042490630 358524301 /nfs/dbraw/zinc/52/43/01/358524301.db2.gz ZMYWIXSEPHCJCX-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000042578347 358526727 /nfs/dbraw/zinc/52/67/27/358526727.db2.gz GTWFTDYRIFYAMD-GFCCVEGCSA-N 0 3 227.352 0.395 20 0 BCADHN CC[C@H](C(=O)N1CCSCC1)N(C)C ZINC000124846325 358528471 /nfs/dbraw/zinc/52/84/71/358528471.db2.gz GNEVUVMUWAGJRZ-SECBINFHSA-N 0 3 216.350 0.902 20 0 BCADHN CCN1CCC(NC(=O)COCCOC)CC1 ZINC000042752528 358529485 /nfs/dbraw/zinc/52/94/85/358529485.db2.gz YNUAOSGWSTYSQR-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN Cc1noc(C)c1CN1CC[C@H](C(N)=O)C1 ZINC000048037581 358612009 /nfs/dbraw/zinc/61/20/09/358612009.db2.gz YIFGXDYYSBSTGN-VIFPVBQESA-N 0 3 223.276 0.599 20 0 BCADHN CN(C)CCNC(=O)[C@H]1C[C@H]1c1cccnc1 ZINC000130787215 358644358 /nfs/dbraw/zinc/64/43/58/358644358.db2.gz AIGBXZASCIFGNP-RYUDHWBXSA-N 0 3 233.315 0.863 20 0 BCADHN C[C@H](CC(N)=O)NCc1ccc(C(N)=O)cc1 ZINC000130678714 358639279 /nfs/dbraw/zinc/63/92/79/358639279.db2.gz VMALKMWIMDSTRI-MRVPVSSYSA-N 0 3 235.287 0.139 20 0 BCADHN CNC(=O)CC1CCN(CCC(=O)OC)CC1 ZINC000175297324 134286570 /nfs/dbraw/zinc/28/65/70/134286570.db2.gz JFQMOHDMAGAUJO-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN Cn1nncc1CNCCCOCC1CC1 ZINC000129698027 358593566 /nfs/dbraw/zinc/59/35/66/358593566.db2.gz VBQJGGOPJSVFLG-UHFFFAOYSA-N 0 3 224.308 0.721 20 0 BCADHN COCC[C@H](COC)NC1CSC1 ZINC000308259349 491135357 /nfs/dbraw/zinc/13/53/57/491135357.db2.gz LPBZYYIURNJREE-MRVPVSSYSA-N 0 3 205.323 0.743 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)C1CCN(C)CC1 ZINC000131000482 358657093 /nfs/dbraw/zinc/65/70/93/358657093.db2.gz VYSXLUYOSYKENK-MEBBXXQBSA-N 0 3 232.393 0.779 20 0 BCADHN C[C@H](O)CCNC(=O)c1ccc2c(c1)CNC2 ZINC000131179001 358664407 /nfs/dbraw/zinc/66/44/07/358664407.db2.gz WVBDWVWFCPHVRY-VIFPVBQESA-N 0 3 234.299 0.791 20 0 BCADHN CCCN(C)[C@@H](C)C(=O)NC(=O)NC ZINC000049480572 358690822 /nfs/dbraw/zinc/69/08/22/358690822.db2.gz JBIKDRNZGHCMJL-ZETCQYMHSA-N 0 3 201.270 0.172 20 0 BCADHN COC(=O)CNC(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000175859353 134288189 /nfs/dbraw/zinc/28/81/89/134288189.db2.gz FPSHCAKUCQXFNT-NXEZZACHSA-N 0 3 242.319 0.254 20 0 BCADHN CCCCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000131871227 358698795 /nfs/dbraw/zinc/69/87/95/358698795.db2.gz VQWMUMYRPQKYTH-JTQLQIEISA-N 0 3 229.324 0.002 20 0 BCADHN C[C@@H]1CC(C(=O)NCCN(C)C)C[C@H](C)O1 ZINC000131938229 358701369 /nfs/dbraw/zinc/70/13/69/358701369.db2.gz JNZXZPDDVUZMGR-ZACCUICWSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@H](C1CC1)N(C)C ZINC000132115413 358708173 /nfs/dbraw/zinc/70/81/73/358708173.db2.gz PELUDHUTCZEMFX-MWLCHTKSSA-N 0 3 248.392 0.349 20 0 BCADHN CC[C@H](C(=O)N[C@H](CO)CCSC)N(C)C ZINC000132185839 358708891 /nfs/dbraw/zinc/70/88/91/358708891.db2.gz AOBJTUHAHJXISJ-VHSXEESVSA-N 0 3 248.392 0.557 20 0 BCADHN CCn1nccc1CNC[C@@]1(OC)CCOC1 ZINC000132213108 358712803 /nfs/dbraw/zinc/71/28/03/358712803.db2.gz LRGSXHBDEXLBOB-LBPRGKRZSA-N 0 3 239.319 0.798 20 0 BCADHN O=C(CN(CCO)C1CCCCC1)N1CCC1 ZINC000050106476 358715659 /nfs/dbraw/zinc/71/56/59/358715659.db2.gz GEKYVYFNFIYSBK-UHFFFAOYSA-N 0 3 240.347 0.846 20 0 BCADHN CCN(C)C(=O)CN1CCCC[C@H]1CCO ZINC000050105114 358715721 /nfs/dbraw/zinc/71/57/21/358715721.db2.gz MTCBETSDXKYGQD-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@H](C)[C@H]1CO ZINC000248974433 535433804 /nfs/dbraw/zinc/43/38/04/535433804.db2.gz UCMAHRKPMAGXGK-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN COc1ccc([O-])c(C(=O)N[C@@H](C)CC[NH3+])c1 ZINC000050377895 358725596 /nfs/dbraw/zinc/72/55/96/358725596.db2.gz KFKPKJHWGKNCFP-QMMMGPOBSA-N 0 3 238.287 0.868 20 0 BCADHN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1ccccc1F ZINC000050378238 358725700 /nfs/dbraw/zinc/72/57/00/358725700.db2.gz JSIVABUVDFVEII-MRVPVSSYSA-N 0 3 246.307 0.841 20 0 BCADHN CCn1cc(CNC[C@H]2COCCO2)cn1 ZINC000050539601 358733451 /nfs/dbraw/zinc/73/34/51/358733451.db2.gz XZHSLMYHVVSFQN-NSHDSACASA-N 0 3 225.292 0.408 20 0 BCADHN C[C@@H](O)CCN1CCN(CC(C)(C)O)CC1 ZINC000134014106 358775612 /nfs/dbraw/zinc/77/56/12/358775612.db2.gz XFXMVANDYJAQBR-LLVKDONJSA-N 0 3 230.352 0.146 20 0 BCADHN COc1ccnc(N2CCNC[C@](C)(F)C2)n1 ZINC000578227476 366461289 /nfs/dbraw/zinc/46/12/89/366461289.db2.gz MATAJHCXVKPQTO-NSHDSACASA-N 0 3 240.282 0.623 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1CCC[C@H](CO)C1 ZINC000052396028 358780481 /nfs/dbraw/zinc/78/04/81/358780481.db2.gz YSGOJJQKNUNVLW-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCCn1cccn1 ZINC000134449799 358790483 /nfs/dbraw/zinc/79/04/83/358790483.db2.gz WXVCWUMCIYUERK-LLVKDONJSA-N 0 3 238.335 0.907 20 0 BCADHN CCNC(=O)CN1CC[C@H](COCC)C1 ZINC000177039552 134294021 /nfs/dbraw/zinc/29/40/21/134294021.db2.gz INHCLYFQBDXPCG-JTQLQIEISA-N 0 3 214.309 0.481 20 0 BCADHN COc1c(CNCC2(O)CCC2)c(C)nn1C ZINC000134518073 358794325 /nfs/dbraw/zinc/79/43/25/358794325.db2.gz VFRJFELHCTXBDR-UHFFFAOYSA-N 0 3 239.319 0.742 20 0 BCADHN NC(=O)c1cccc(CNCC2(O)CCC2)c1 ZINC000134518186 358794524 /nfs/dbraw/zinc/79/45/24/358794524.db2.gz BDWDJVYAONMZEM-UHFFFAOYSA-N 0 3 234.299 0.790 20 0 BCADHN C[C@H](N[C@H]1CCO[C@H]1C)C(=O)N1CCCC1 ZINC000134547460 358795378 /nfs/dbraw/zinc/79/53/78/358795378.db2.gz WUDAMBCRVOKBQL-DCAQKATOSA-N 0 3 226.320 0.764 20 0 BCADHN CC(C)C(=O)NCCCN1CCN(C)CC1 ZINC000054534521 358867608 /nfs/dbraw/zinc/86/76/08/358867608.db2.gz QZMXVTXYLGWLKG-UHFFFAOYSA-N 0 3 227.352 0.396 20 0 BCADHN COCCN1CCC(N2CCCNC2=O)CC1 ZINC000135422913 358837039 /nfs/dbraw/zinc/83/70/39/358837039.db2.gz BODHLHCERFXLGU-UHFFFAOYSA-N 0 3 241.335 0.513 20 0 BCADHN CC[C@H](O)CN1CCOC2(CCOCC2)C1 ZINC000135617043 358846521 /nfs/dbraw/zinc/84/65/21/358846521.db2.gz PMEYMTPKYVSCMS-NSHDSACASA-N 0 3 229.320 0.639 20 0 BCADHN CC(C)C[C@@H](CNCc1cnnn1C)N(C)C ZINC000135852302 358851931 /nfs/dbraw/zinc/85/19/31/358851931.db2.gz NNOVKKRYZXZLDX-NSHDSACASA-N 0 3 239.367 0.881 20 0 BCADHN CC(C)CN1CCN(CCOCCO)CC1 ZINC000055080480 358882597 /nfs/dbraw/zinc/88/25/97/358882597.db2.gz ALOQKMIYZDVLGA-UHFFFAOYSA-N 0 3 230.352 0.269 20 0 BCADHN COC[C@H](O)CN1CC[C@@H](C(F)(F)F)C1 ZINC000308804381 491138172 /nfs/dbraw/zinc/13/81/72/491138172.db2.gz NXZYTJUIKLMCEZ-HTQZYQBOSA-N 0 3 227.226 0.878 20 0 BCADHN C[C@H](CO)NC(=O)c1cccc(CN(C)C)c1 ZINC000137751490 358900172 /nfs/dbraw/zinc/90/01/72/358900172.db2.gz BTWIEGVGIAGCBV-SNVBAGLBSA-N 0 3 236.315 0.859 20 0 BCADHN 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ZINC000069578596 359029289 /nfs/dbraw/zinc/02/92/89/359029289.db2.gz OPCDYSFRFSYKGN-SNVBAGLBSA-N 0 3 244.335 0.248 20 0 BCADHN CNC(=O)CN1CCC[C@H]1CN1CCCCC1 ZINC000069607993 359030539 /nfs/dbraw/zinc/03/05/39/359030539.db2.gz ZFGHFEGUTPWCHG-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN CCC[C@H](N)C(=O)N1CCC(COC)CC1 ZINC000069633010 359030959 /nfs/dbraw/zinc/03/09/59/359030959.db2.gz NYRVPJOCRGZZIC-NSHDSACASA-N 0 3 228.336 0.999 20 0 BCADHN CC[C@@H](C(=O)N1CCO[C@H](C)C1)N(C)C ZINC000177945209 134302373 /nfs/dbraw/zinc/30/23/73/134302373.db2.gz JFXXYABIQMBASM-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN CCOC[C@@H](O)CN1CCC(C(=O)OC)CC1 ZINC000070079368 359039968 /nfs/dbraw/zinc/03/99/68/359039968.db2.gz CMTMTKXWGXOAKV-NSHDSACASA-N 0 3 245.319 0.269 20 0 BCADHN COC1CC(C(=O)N2CCN3CCC2CC3)C1 ZINC000626624622 358990563 /nfs/dbraw/zinc/99/05/63/358990563.db2.gz AMPOYLTVPQWWDF-UHFFFAOYSA-N 0 3 238.331 0.718 20 0 BCADHN CCOCC(=O)N(C)C1CCN(CC)CC1 ZINC000070264209 359047806 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CN(CC[C@@H]1CCCO1)C(C)(C)C(N)=O ZINC000451133917 202362863 /nfs/dbraw/zinc/36/28/63/202362863.db2.gz FQQCJNULWDCFPQ-VIFPVBQESA-N 0 3 214.309 0.751 20 0 BCADHN COCCSCCCN(C)C(C)(C)C(N)=O ZINC000451133850 202362921 /nfs/dbraw/zinc/36/29/21/202362921.db2.gz DSNYNHQYNGFXSU-UHFFFAOYSA-N 0 3 248.392 0.952 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC[C@H]1COCCO1 ZINC000087409259 359910416 /nfs/dbraw/zinc/91/04/16/359910416.db2.gz PPVGZAMTZYEDQX-KOLCDFICSA-N 0 3 239.319 0.795 20 0 BCADHN CN(C[C@@H](O)CN1CC[C@@H](F)C1)C1CC1 ZINC000451202277 202380013 /nfs/dbraw/zinc/38/00/13/202380013.db2.gz WQTHSZWAEPWCFE-MWLCHTKSSA-N 0 3 216.300 0.485 20 0 BCADHN CC(C)OCCCN1CCOC[C@@H](O)C1 ZINC000451226322 202381193 /nfs/dbraw/zinc/38/11/93/202381193.db2.gz JIBLMSGOUMNEOU-NSHDSACASA-N 0 3 217.309 0.495 20 0 BCADHN CC1(C)OCC[C@H]1NCC(=O)Nc1ccncc1 ZINC000451243207 202383590 /nfs/dbraw/zinc/38/35/90/202383590.db2.gz OLIJMAGCESFABS-LLVKDONJSA-N 0 3 249.314 0.599 20 0 BCADHN COC(=O)c1ccc(CN[C@@H]2CCOC2)[nH]1 ZINC000087784570 359928396 /nfs/dbraw/zinc/92/83/96/359928396.db2.gz HKYVDBNYIKUNPB-SECBINFHSA-N 0 3 224.260 0.680 20 0 BCADHN C[C@H]1CC[C@H](C(=O)NC[C@H]2CNCCO2)CC1 ZINC000578543165 366595751 /nfs/dbraw/zinc/59/57/51/366595751.db2.gz YNBCXBZMYMNYMQ-IJLUTSLNSA-N 0 3 240.347 0.917 20 0 BCADHN Cc1n[nH]cc1CN[C@H](CO)CC1CC1 ZINC000309187828 491146006 /nfs/dbraw/zinc/14/60/06/491146006.db2.gz PBTQSJRXEACAHB-NSHDSACASA-N 0 3 209.293 0.969 20 0 BCADHN CN(CC(C)(C)CO)[C@@H]1CCCNC1=O ZINC000451253467 202388437 /nfs/dbraw/zinc/38/84/37/202388437.db2.gz MRYWVJKFMVPAJI-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@H]1COCCN1CCN(C)CC(C)(C)CO ZINC000451254967 202388662 /nfs/dbraw/zinc/38/86/62/202388662.db2.gz QFAGNAVSGZAMAX-LBPRGKRZSA-N 0 3 244.379 0.657 20 0 BCADHN C[C@H]1CN(CCN(C)CC(C)(C)CO)CCO1 ZINC000451258939 202390350 /nfs/dbraw/zinc/39/03/50/202390350.db2.gz XHPCRLGVXJGGPD-LBPRGKRZSA-N 0 3 244.379 0.657 20 0 BCADHN N[C@@H](C(=O)NCCNc1ccccn1)C1CCC1 ZINC000578622976 366610686 /nfs/dbraw/zinc/61/06/86/366610686.db2.gz GVTVDUKABBDUNY-GFCCVEGCSA-N 0 3 248.330 0.737 20 0 BCADHN COCC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000088055912 359933934 /nfs/dbraw/zinc/93/39/34/359933934.db2.gz HVFJRUNUNPOLAZ-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@@]1(NCC(=O)N2CCC2)CCOC1 ZINC000309191199 491146149 /nfs/dbraw/zinc/14/61/49/491146149.db2.gz PRFYCISQTOVHKF-LLVKDONJSA-N 0 3 212.293 0.377 20 0 BCADHN Cn1ncc2c1CCC[C@H]2NC(=O)C1(N)CC1 ZINC000088130152 359938431 /nfs/dbraw/zinc/93/84/31/359938431.db2.gz STEGBKDWAMWCQZ-SECBINFHSA-N 0 3 234.303 0.405 20 0 BCADHN NC1(C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000088131015 359938895 /nfs/dbraw/zinc/93/88/95/359938895.db2.gz NELRYFMFYDYWFP-LLVKDONJSA-N 0 3 237.347 0.565 20 0 BCADHN CNC(=O)c1cccc(CNCCC(N)=O)c1 ZINC000578740431 366634960 /nfs/dbraw/zinc/63/49/60/366634960.db2.gz GPZSBVWVVJEORV-UHFFFAOYSA-N 0 3 235.287 0.011 20 0 BCADHN CCCCN(CCO)C(=O)CN1CC[C@@H](C)C1 ZINC000578784902 366648569 /nfs/dbraw/zinc/64/85/69/366648569.db2.gz 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0.622 20 0 BCADHN CC12CC(C1)CN2C(=O)NC[C@@H]1CNCCO1 ZINC000612923285 360183161 /nfs/dbraw/zinc/18/31/61/360183161.db2.gz HOXPIIUWOWGPCX-YZRBJQDESA-N 0 3 239.319 0.169 20 0 BCADHN COC(=O)[C@H](C1CC1)N(C)C[C@@H]1CCCN1C ZINC000092631901 360186890 /nfs/dbraw/zinc/18/68/90/360186890.db2.gz AUZXRGZOODIYLD-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN NC(=O)CC[C@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000092660254 360187615 /nfs/dbraw/zinc/18/76/15/360187615.db2.gz WSHSQQOLIAVRDI-SNVBAGLBSA-N 0 3 236.319 0.887 20 0 BCADHN COCCNCCNC(=O)N1CC2CC1(C)C2 ZINC000612915076 360189376 /nfs/dbraw/zinc/18/93/76/360189376.db2.gz KCNFINDDFMQFBS-UHFFFAOYSA-N 0 3 241.335 0.416 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)NCCOCCF ZINC000612936515 360192231 /nfs/dbraw/zinc/19/22/31/360192231.db2.gz XCRKOFBGBXRMTF-VHSXEESVSA-N 0 3 247.314 0.364 20 0 BCADHN CC(C)[C@@H](C)NCc1nnc2n1CCOC2 ZINC000309333066 491147975 /nfs/dbraw/zinc/14/79/75/491147975.db2.gz IICZZPACZXIUKO-SECBINFHSA-N 0 3 224.308 0.942 20 0 BCADHN CCOC[C@@H](O)CN(C)C1(C(N)=O)CCCC1 ZINC000093214233 360223058 /nfs/dbraw/zinc/22/30/58/360223058.db2.gz HLUWWYOSFKWHRY-JTQLQIEISA-N 0 3 244.335 0.114 20 0 BCADHN C[C@H]1CCN(Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC000093344832 360236075 /nfs/dbraw/zinc/23/60/75/360236075.db2.gz MOYZULIIHLPXHA-GWCFXTLKSA-N 0 3 248.326 0.988 20 0 BCADHN CN(C)C1(C(=O)N2CCC3(CN(C)C3)C2)CC1 ZINC000614032914 363710186 /nfs/dbraw/zinc/71/01/86/363710186.db2.gz CSLVDWCMWYZPAU-UHFFFAOYSA-N 0 3 237.347 0.245 20 0 BCADHN COC(=O)[C@@H](C)CN1CCN2CCCC[C@@H]2C1 ZINC000094439754 360308906 /nfs/dbraw/zinc/30/89/06/360308906.db2.gz VRVZSMUKRNEQOB-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](CCCO)NCc1cnc(N(C)C)n1C ZINC000094942442 360327748 /nfs/dbraw/zinc/32/77/48/360327748.db2.gz ZMIHUDRBKZLPBB-JTQLQIEISA-N 0 3 240.351 0.737 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000614065758 363722197 /nfs/dbraw/zinc/72/21/97/363722197.db2.gz UQMFTMLKHWVGLC-WZRBSPASSA-N 0 3 240.347 0.558 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@H](O)COC(C)C ZINC000097324809 360369884 /nfs/dbraw/zinc/36/98/84/360369884.db2.gz GLZZZJJDNHXITO-NSHDSACASA-N 0 3 246.351 0.216 20 0 BCADHN CN(C)C1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000613118414 360374581 /nfs/dbraw/zinc/37/45/81/360374581.db2.gz RTLTXZVTFJXAJE-SECBINFHSA-N 0 3 248.330 0.287 20 0 BCADHN CN(C)C1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000613118414 360374582 /nfs/dbraw/zinc/37/45/82/360374582.db2.gz RTLTXZVTFJXAJE-SECBINFHSA-N 0 3 248.330 0.287 20 0 BCADHN CCOCC(=O)N(C)CC1(N(C)C)CCC1 ZINC000097936309 360384050 /nfs/dbraw/zinc/38/40/50/360384050.db2.gz CFAZUDRBWMXKFH-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN NS(=O)(=O)CCN1CCCCCC1 ZINC000306533138 360394722 /nfs/dbraw/zinc/39/47/22/360394722.db2.gz MSRUIVCOZZURGS-UHFFFAOYSA-N 0 3 206.311 0.151 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000627236469 363726466 /nfs/dbraw/zinc/72/64/66/363726466.db2.gz GCSFYHIGZQUAQA-ZYUZMQFOSA-N 0 3 211.309 0.787 20 0 BCADHN CCN(CCN)C(=O)C(=O)Nc1cccc(C)c1 ZINC000626855803 360414781 /nfs/dbraw/zinc/41/47/81/360414781.db2.gz FGDSTJWCCJFELI-UHFFFAOYSA-N 0 3 249.314 0.741 20 0 BCADHN CO[C@H]1CCC[C@@H](NCc2cn(C)nn2)C1 ZINC000309478594 491149359 /nfs/dbraw/zinc/14/93/59/491149359.db2.gz SJRYKWLEJSBALI-KOLCDFICSA-N 0 3 224.308 0.862 20 0 BCADHN C1COC[C@@H](NC2COCCOC2)C1 ZINC000306604567 360531290 /nfs/dbraw/zinc/53/12/90/360531290.db2.gz ZIARWIGSPUCZGC-VIFPVBQESA-N 0 3 201.266 0.170 20 0 BCADHN Cc1cc(CNCCCNS(C)(=O)=O)on1 ZINC000381040716 360557084 /nfs/dbraw/zinc/55/70/84/360557084.db2.gz GBUSXWYRJCDBPN-UHFFFAOYSA-N 0 3 247.320 0.012 20 0 BCADHN NC(=O)Cn1cc(CN[C@@H]2CCCC23CC3)nn1 ZINC000631191783 360558344 /nfs/dbraw/zinc/55/83/44/360558344.db2.gz IAKONDBUNQKULZ-SNVBAGLBSA-N 0 3 249.318 0.186 20 0 BCADHN Cc1ccc(CCCN[C@H](C)C(N)=O)cn1 ZINC000309516499 491149833 /nfs/dbraw/zinc/14/98/33/491149833.db2.gz YVNCDGJTWKYPKL-SNVBAGLBSA-N 0 3 221.304 0.786 20 0 BCADHN CCO[C@H]1C[C@H]1C(=O)NC[C@H]1CCCN1C ZINC000628647852 360592707 /nfs/dbraw/zinc/59/27/07/360592707.db2.gz RVMBVQAZAPCTSZ-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN CCn1nccc1C(=O)NC[C@H]1CCCN1C ZINC000628647928 360593232 /nfs/dbraw/zinc/59/32/32/360593232.db2.gz BPXAOYURTVQBIO-SNVBAGLBSA-N 0 3 236.319 0.727 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)CCc1ccon1 ZINC000628648635 360596385 /nfs/dbraw/zinc/59/63/85/360596385.db2.gz IQYNYRLMYPXFCQ-LLVKDONJSA-N 0 3 237.303 0.818 20 0 BCADHN CCC[C@H](NC(=O)[C@@H](N)[C@H](C)CC)C(=O)OC ZINC000149491160 360616618 /nfs/dbraw/zinc/61/66/18/360616618.db2.gz PMJZBSYTDCQUCP-UTLUCORTSA-N 0 3 244.335 0.818 20 0 BCADHN O=C(N[C@H](CO)CN1CCCC1)C12CC(C1)C2 ZINC000640317614 360608926 /nfs/dbraw/zinc/60/89/26/360608926.db2.gz GMYDJYBZANNWOF-AKJDGMEZSA-N 0 3 238.331 0.359 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC2(C1)CCCO2)N(C)C ZINC000628785797 360650002 /nfs/dbraw/zinc/65/00/02/360650002.db2.gz LTOFRRJPOWXLKM-NSHDSACASA-N 0 3 240.347 0.964 20 0 BCADHN CCCN(C)CC(=O)N1CC2(C1)CCCO2 ZINC000628786788 360651279 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370707048 /nfs/dbraw/zinc/70/70/48/370707048.db2.gz XNFANOBUQBJSDJ-UHFFFAOYSA-N 0 3 238.335 0.799 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)CN(C)C)n1cncn1 ZINC000622098612 370707690 /nfs/dbraw/zinc/70/76/90/370707690.db2.gz KKXYCKXUZZYFAW-VIFPVBQESA-N 0 3 239.323 0.296 20 0 BCADHN O=C(CCn1cccn1)N[C@H]1CCN(C2CC2)C1 ZINC000067864355 370715507 /nfs/dbraw/zinc/71/55/07/370715507.db2.gz MQIYPYBMUOVFNN-NSHDSACASA-N 0 3 248.330 0.626 20 0 BCADHN CN1CCC[C@@H](NC(=O)NC[C@@H]2CCCO2)C1 ZINC000080322545 370747799 /nfs/dbraw/zinc/74/77/99/370747799.db2.gz SJPUPNWOLDUQQL-MNOVXSKESA-N 0 3 241.335 0.559 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C(=O)OC ZINC000161646145 370749150 /nfs/dbraw/zinc/74/91/50/370749150.db2.gz GGGDJFBCIRJJES-XHNCKOQMSA-N 0 3 228.292 0.182 20 0 BCADHN COCCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000068195967 370753319 /nfs/dbraw/zinc/75/33/19/370753319.db2.gz GNLRAJRCAQBUIZ-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN COc1cccnc1C(=O)NC1CCN(C)CC1 ZINC000630563794 364262832 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/nfs/dbraw/zinc/34/16/71/364341671.db2.gz YLOQLNLQVVQPSA-GFCCVEGCSA-N 0 3 238.335 0.951 20 0 BCADHN COC[C@@H](N)Cc1cn(CC2CCCC2)nn1 ZINC000630589647 364299678 /nfs/dbraw/zinc/29/96/78/364299678.db2.gz JOBMFUAVRITKHZ-NSHDSACASA-N 0 3 238.335 0.985 20 0 BCADHN CN(C)CCc1cn(-c2ccccn2)nn1 ZINC000630599828 364313140 /nfs/dbraw/zinc/31/31/40/364313140.db2.gz XVFSANWRABCUSP-UHFFFAOYSA-N 0 3 217.276 0.766 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCCOC1 ZINC000170813437 364342660 /nfs/dbraw/zinc/34/26/60/364342660.db2.gz GJDDRMBDVCQPHY-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN c1c(-c2cccnc2)nnn1C[C@H]1CNCCO1 ZINC000630616698 364353068 /nfs/dbraw/zinc/35/30/68/364353068.db2.gz MVFOVMNUTIOTPZ-LLVKDONJSA-N 0 3 245.286 0.329 20 0 BCADHN CC[C@](C)(N)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC000630617638 364353457 /nfs/dbraw/zinc/35/34/57/364353457.db2.gz WHXDSMDCALXSFP-MRTMQBJTSA-N 0 3 210.281 0.558 20 0 BCADHN CC(C)/C=C\c1cn(C[C@@H]2CNCCO2)nn1 ZINC000630616802 364354595 /nfs/dbraw/zinc/35/45/95/364354595.db2.gz 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ZINC000579727585 366992855 /nfs/dbraw/zinc/99/28/55/366992855.db2.gz QFABKNMRGIUVIJ-VXGBXAGGSA-N 0 3 248.342 0.359 20 0 BCADHN C[C@H](CN1CCC(C)CC1)NS(C)(=O)=O ZINC000579733698 366997822 /nfs/dbraw/zinc/99/78/22/366997822.db2.gz PBDSXHHTVWAZSH-SNVBAGLBSA-N 0 3 234.365 0.656 20 0 BCADHN COCCN(C)C[C@H](O)CN1CCC[C@H]1CF ZINC000579727584 366993075 /nfs/dbraw/zinc/99/30/75/366993075.db2.gz QFABKNMRGIUVIJ-RYUDHWBXSA-N 0 3 248.342 0.359 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCCC(=O)NC ZINC000579728398 366994535 /nfs/dbraw/zinc/99/45/35/366994535.db2.gz KEAXBMDPNWFZNV-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN C[C@@H](CN1CCC(C)CC1)NS(C)(=O)=O ZINC000579733691 366998667 /nfs/dbraw/zinc/99/86/67/366998667.db2.gz PBDSXHHTVWAZSH-JTQLQIEISA-N 0 3 234.365 0.656 20 0 BCADHN C[C@@H](CCNS(C)(=O)=O)N1CCCCC1 ZINC000183291785 367010592 /nfs/dbraw/zinc/01/05/92/367010592.db2.gz XUZLZCWSDKLZBD-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN C[C@@H]1COCC[C@@H]1NCc1ncnn1CCF ZINC000440490697 201482041 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/nfs/dbraw/zinc/06/65/71/367066571.db2.gz AABJTQJDGZLEBZ-MWLCHTKSSA-N 0 3 240.351 0.069 20 0 BCADHN Cn1ccc(CC(=O)NC[C@@H]2CCCN2C)n1 ZINC000183594267 367032344 /nfs/dbraw/zinc/03/23/44/367032344.db2.gz BWUFQSWMXCTNNK-NSHDSACASA-N 0 3 236.319 0.173 20 0 BCADHN CC1(C)[C@H](NC(=O)[C@@H]2C[C@@H]2N)[C@@H]2CCO[C@@H]21 ZINC000579942307 367091368 /nfs/dbraw/zinc/09/13/68/367091368.db2.gz WDLFJDFGZCIUMV-LRPJSKTQSA-N 0 3 224.304 0.263 20 0 BCADHN CC1(C)[C@H](NC(=O)[C@@H]2C[C@@H]2N)[C@H]2CCO[C@@H]21 ZINC000579942308 367091494 /nfs/dbraw/zinc/09/14/94/367091494.db2.gz WDLFJDFGZCIUMV-SPFKKGSWSA-N 0 3 224.304 0.263 20 0 BCADHN C[C@H]1NCCN(C(=O)CCc2ccncn2)[C@H]1C ZINC000579954165 367101029 /nfs/dbraw/zinc/10/10/29/367101029.db2.gz HIVAOWFIKFPBHQ-MNOVXSKESA-N 0 3 248.330 0.618 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)[C@H](C)OC ZINC000380324035 367177703 /nfs/dbraw/zinc/17/77/03/367177703.db2.gz LJYAAHCJTSBUNS-BBBLOLIVSA-N 0 3 237.365 0.823 20 0 BCADHN C[C@H](O)CNCc1cccc(OCC(N)=O)c1 ZINC000580828924 367179437 /nfs/dbraw/zinc/17/94/37/367179437.db2.gz QYUBZJFZOUNVBG-VIFPVBQESA-N 0 3 238.287 0.021 20 0 BCADHN C[C@H](CN1CCOCC1)N1C[C@H](O)C(C)(C)C1 ZINC000580754372 367155759 /nfs/dbraw/zinc/15/57/59/367155759.db2.gz QKDCJBWLQCAVHR-NEPJUHHUSA-N 0 3 242.363 0.410 20 0 BCADHN C[C@H](CNC[C@H]1CCCCO1)S(C)(=O)=O ZINC000580768895 367159991 /nfs/dbraw/zinc/15/99/91/367159991.db2.gz BVNPYWCPAGDNGN-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN CCNC(=O)NC(=O)CN[C@H]1CCC1(C)C ZINC000580960077 367218352 /nfs/dbraw/zinc/21/83/52/367218352.db2.gz CNRISQNSCMATDO-QMMMGPOBSA-N 0 3 227.308 0.610 20 0 BCADHN C[C@@H](O)[C@H](C)NCC1(S(C)(=O)=O)CCC1 ZINC000581126847 367269417 /nfs/dbraw/zinc/26/94/17/367269417.db2.gz DYZSNCLAYAPIIK-DTWKUNHWSA-N 0 3 235.349 0.313 20 0 BCADHN C[C@@H](NCC1(S(C)(=O)=O)CCC1)[C@H](C)O ZINC000581126840 367269436 /nfs/dbraw/zinc/26/94/36/367269436.db2.gz DYZSNCLAYAPIIK-BDAKNGLRSA-N 0 3 235.349 0.313 20 0 BCADHN CNC(=O)CN1CCN(C)C2(CCCCC2)C1 ZINC000581141177 367276201 /nfs/dbraw/zinc/27/62/01/367276201.db2.gz WAZIMUATVPZBML-UHFFFAOYSA-N 0 3 239.363 0.683 20 0 BCADHN CN[C@@H](C)C(=O)NC(C)(C)c1cnn(C)c1 ZINC000581143373 367276864 /nfs/dbraw/zinc/27/68/64/367276864.db2.gz UTQWLTZIWUOIEC-QMMMGPOBSA-N 0 3 224.308 0.379 20 0 BCADHN CN(CCCO)CCOC[C@H]1CCCO1 ZINC000580990727 367226970 /nfs/dbraw/zinc/22/69/70/367226970.db2.gz YGAUTBNVWNCAHB-LLVKDONJSA-N 0 3 217.309 0.496 20 0 BCADHN C[C@@H](N)C(=O)N1CCCC[C@H]1c1ccnn1C ZINC000581018355 367237461 /nfs/dbraw/zinc/23/74/61/367237461.db2.gz DBCAXSJVENUPCY-KOLCDFICSA-N 0 3 236.319 0.821 20 0 BCADHN O=C1NCC[C@]12CCCN2CCC1(O)CC1 ZINC000581079766 367256447 /nfs/dbraw/zinc/25/64/47/367256447.db2.gz HYRICIOFXFWVHD-GFCCVEGCSA-N 0 3 224.304 0.256 20 0 BCADHN COc1ccc2c(c1)C(=O)N(CCN(C)C)C2=O ZINC000581314669 367342585 /nfs/dbraw/zinc/34/25/85/367342585.db2.gz ZYWJTBOCUNYVKW-UHFFFAOYSA-N 0 3 248.282 0.853 20 0 BCADHN NC1(C(=O)N2CCNCc3ccccc32)CC1 ZINC000581185621 367286477 /nfs/dbraw/zinc/28/64/77/367286477.db2.gz DACHFSDAUUUJSR-UHFFFAOYSA-N 0 3 231.299 0.614 20 0 BCADHN CC(=O)N1CC[C@H](NC[C@@H](O)C(F)(F)F)C1 ZINC000581246312 367307472 /nfs/dbraw/zinc/30/74/72/367307472.db2.gz PIDRHDVMCOLGBP-JGVFFNPUSA-N 0 3 240.225 0.120 20 0 BCADHN O=C(Nc1ccncc1[O-])[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000581248902 367307715 /nfs/dbraw/zinc/30/77/15/367307715.db2.gz IXRFGNINXOFKIT-QPUJVOFHSA-N 0 3 233.271 0.147 20 0 BCADHN C[C@H]1CCCN(CCNC(=O)C(C)(C)CO)C1 ZINC000581285856 367317690 /nfs/dbraw/zinc/31/76/90/367317690.db2.gz UAMFLMJDMWXGMX-NSHDSACASA-N 0 3 242.363 0.853 20 0 BCADHN CN(C[C@H]1CCCN1C)c1nccn2nnnc12 ZINC000581363363 367392406 /nfs/dbraw/zinc/39/24/06/367392406.db2.gz TUWMZBUHUJEXAF-SECBINFHSA-N 0 3 247.306 0.050 20 0 BCADHN C[C@@H](CNCC1(N(C)C)CCC1)S(C)(=O)=O ZINC000581365867 367396672 /nfs/dbraw/zinc/39/66/72/367396672.db2.gz PXCWWAPDNQNNNS-JTQLQIEISA-N 0 3 248.392 0.493 20 0 BCADHN COc1ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])c([O-])c1 ZINC000381416241 367397781 /nfs/dbraw/zinc/39/77/81/367397781.db2.gz ZIKAGQILKGQWAH-JGVFFNPUSA-N 0 3 238.287 0.866 20 0 BCADHN COc1cccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])c1[O-] ZINC000381412160 367397921 /nfs/dbraw/zinc/39/79/21/367397921.db2.gz YDASSSYOBDAIBK-YUMQZZPRSA-N 0 3 238.287 0.866 20 0 BCADHN CC(=O)N1CC[C@@H](NC(=O)CN)c2ccccc21 ZINC000581370582 367402088 /nfs/dbraw/zinc/40/20/88/367402088.db2.gz FDTWYJSRDLMZGZ-LLVKDONJSA-N 0 3 247.298 0.559 20 0 BCADHN CN(C)[C@@H](CNCCC(N)=O)c1ccsc1 ZINC000381451304 367407048 /nfs/dbraw/zinc/40/70/48/367407048.db2.gz HJBJAAJJHCHCOP-JTQLQIEISA-N 0 3 241.360 0.816 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2ccnn2C)C1 ZINC000195447257 367362044 /nfs/dbraw/zinc/36/20/44/367362044.db2.gz SWWBXXQEZWOBMJ-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN CCSCCNC[C@@H](C)S(C)(=O)=O ZINC000381924889 367471238 /nfs/dbraw/zinc/47/12/38/367471238.db2.gz NBSWITLFCJICGB-MRVPVSSYSA-N 0 3 225.379 0.762 20 0 BCADHN COC[C@@](C)(O)CNCc1cn(C)nc1C ZINC000381752124 367453853 /nfs/dbraw/zinc/45/38/53/367453853.db2.gz RKRLUJFOTJMKHF-NSHDSACASA-N 0 3 227.308 0.216 20 0 BCADHN COCCNCCNC(=O)CSC(C)C ZINC000381873615 367465599 /nfs/dbraw/zinc/46/55/99/367465599.db2.gz ZIOCRFFGHYTHRB-UHFFFAOYSA-N 0 3 234.365 0.480 20 0 BCADHN COC[C@@](C)(O)CN[C@H](C)c1nccnc1C ZINC000382581125 367545632 /nfs/dbraw/zinc/54/56/32/367545632.db2.gz VWIKYTAQPJDLKV-PWSUYJOCSA-N 0 3 239.319 0.833 20 0 BCADHN CC[C@@H](O)CN1CCC[C@@H](N2CCOCC2)C1 ZINC000382729638 367554536 /nfs/dbraw/zinc/55/45/36/367554536.db2.gz JZNLEWUVDHUYJW-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@H](O)CCN1CCC[C@@H](N2CCOCC2)C1 ZINC000382732460 367555093 /nfs/dbraw/zinc/55/50/93/367555093.db2.gz KQBZDFVMLOABKM-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN CN(Cc1noc(CN)n1)C[C@@H]1CCCN1C ZINC000382880601 367564884 /nfs/dbraw/zinc/56/48/84/367564884.db2.gz NBXMPJKMDJMNDP-VIFPVBQESA-N 0 3 239.323 0.054 20 0 BCADHN CS[C@H]1CCN(CCCS(N)(=O)=O)C1 ZINC000382864000 367565016 /nfs/dbraw/zinc/56/50/16/367565016.db2.gz BJQYTEMIKKCNBN-QMMMGPOBSA-N 0 3 238.378 0.102 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1cnn(C)c1 ZINC000382939883 367571775 /nfs/dbraw/zinc/57/17/75/367571775.db2.gz IINASPWBCWPUSE-SSDOTTSWSA-N 0 3 208.265 0.499 20 0 BCADHN C[C@H]1C[C@H](NC(=O)N(C)CCN(C)C)CO1 ZINC000581545197 367572076 /nfs/dbraw/zinc/57/20/76/367572076.db2.gz DWJSNUFHHHRSKJ-UWVGGRQHSA-N 0 3 229.324 0.367 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000382977253 367578402 /nfs/dbraw/zinc/57/84/02/367578402.db2.gz SURXDYQLIRYETM-OPRDCNLKSA-N 0 3 226.320 0.763 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCC(=O)NC(C)(C)C ZINC000382984959 367579697 /nfs/dbraw/zinc/57/96/97/367579697.db2.gz VMZHWOLKUOCFEB-QMMMGPOBSA-N 0 3 241.335 0.158 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H](C)NC1CC1 ZINC000382985300 367580055 /nfs/dbraw/zinc/58/00/55/367580055.db2.gz VQPTVKLDIZKNIA-RKDXNWHRSA-N 0 3 241.335 0.110 20 0 BCADHN CC(C)C(=O)NCCNC(=O)[C@@H](C)NC1CC1 ZINC000382986685 367581002 /nfs/dbraw/zinc/58/10/02/367581002.db2.gz WHMVCHZVINXLJK-SECBINFHSA-N 0 3 241.335 0.015 20 0 BCADHN C[C@H](CCCO)NC(=O)[C@@H](C)NC1CC1 ZINC000382989677 367581458 /nfs/dbraw/zinc/58/14/58/367581458.db2.gz XUAIQDKQNAXGFW-RKDXNWHRSA-N 0 3 214.309 0.404 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@H](C)NC1CC1 ZINC000382998175 367582869 /nfs/dbraw/zinc/58/28/69/367582869.db2.gz BDRJJIULNSLZFK-YUMQZZPRSA-N 0 3 200.282 0.278 20 0 BCADHN Cc1noc(CNC(=O)[C@@H](C)NC2CC2)n1 ZINC000383017271 367585134 /nfs/dbraw/zinc/58/51/34/367585134.db2.gz CWEVQQCFXMTPLH-ZCFIWIBFSA-N 0 3 224.264 0.135 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCc1ccno1 ZINC000382957320 367573378 /nfs/dbraw/zinc/57/33/78/367573378.db2.gz NIHYEYWYPOJXMX-ZETCQYMHSA-N 0 3 209.249 0.431 20 0 BCADHN C[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CNCCO2)C1 ZINC000383146720 367600926 /nfs/dbraw/zinc/60/09/26/367600926.db2.gz GPDMFWSFIIUVED-IJLUTSLNSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000383141373 367601297 /nfs/dbraw/zinc/60/12/97/367601297.db2.gz JXOAGOQXEVHOCN-KOLCDFICSA-N 0 3 237.347 0.480 20 0 BCADHN 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SADUUYLOGBXBEH-UHFFFAOYSA-N 0 3 236.319 0.739 20 0 BCADHN COC(=O)C[C@@H]1CCCN1Cc1cn[nH]c1 ZINC000259906617 370952557 /nfs/dbraw/zinc/95/25/57/370952557.db2.gz GEGUSERAKYKBBM-JTQLQIEISA-N 0 3 223.276 0.937 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@@H]1CCCO1 ZINC000459787418 203343989 /nfs/dbraw/zinc/34/39/89/203343989.db2.gz CJJPYMMLNUKPJI-LPEHRKFASA-N 0 3 201.266 0.169 20 0 BCADHN Cc1nnc(NC(=O)[C@@H](N)CC(C)C)n1C ZINC000567824254 326264011 /nfs/dbraw/zinc/26/40/11/326264011.db2.gz HVTSGGMPJJKKSX-QMMMGPOBSA-N 0 3 225.296 0.435 20 0 BCADHN CCc1ccnc(CNC(=O)[C@@H](C)N)c1 ZINC000567826185 326264617 /nfs/dbraw/zinc/26/46/17/326264617.db2.gz UEUFPNHPTFVATN-MRVPVSSYSA-N 0 3 207.277 0.607 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1CCSC1 ZINC000459754102 203355233 /nfs/dbraw/zinc/35/52/33/203355233.db2.gz LJVIRFDYVGAGSS-HRDYMLBCSA-N 0 3 203.307 0.495 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCc1cccn1C ZINC000459755595 203357050 /nfs/dbraw/zinc/35/70/50/203357050.db2.gz MQEDVAHHPPVNLU-WDEREUQCSA-N 0 3 210.277 0.529 20 0 BCADHN CCOC[C@@H](C)N[C@@H]1COC[C@@H]1OC ZINC000459745271 203351228 /nfs/dbraw/zinc/35/12/28/203351228.db2.gz ALPHMRSSMWXFMK-BBBLOLIVSA-N 0 3 203.282 0.415 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCCC(=O)OC(C)C ZINC000459820776 203375151 /nfs/dbraw/zinc/37/51/51/203375151.db2.gz FAFFZBBOASCPCL-VHSXEESVSA-N 0 3 231.292 0.332 20 0 BCADHN CCn1nccc1CNC[C@@H]1COCCN1C ZINC000623711373 370983536 /nfs/dbraw/zinc/98/35/36/370983536.db2.gz CIUWKOLFDDFLDB-GFCCVEGCSA-N 0 3 238.335 0.323 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H]1COCCN1C ZINC000623711388 370984182 /nfs/dbraw/zinc/98/41/82/370984182.db2.gz CUQFLJIRAWINQR-GFCCVEGCSA-N 0 3 238.335 0.149 20 0 BCADHN CC(C)C(=O)NCCNCc1ccc(=O)[nH]c1 ZINC000631035009 370984731 /nfs/dbraw/zinc/98/47/31/370984731.db2.gz YEZXHDWAJDYYIB-UHFFFAOYSA-N 0 3 237.303 0.649 20 0 BCADHN C[C@H]1CCN1C(=O)NC1CCN(C)CC1 ZINC000619656738 369510338 /nfs/dbraw/zinc/51/03/38/369510338.db2.gz HACMOFGOZDSJFP-VIFPVBQESA-N 0 3 211.309 0.884 20 0 BCADHN OC[C@@H]1CCCN(CCOC[C@H]2CCCO2)C1 ZINC000304421851 369512383 /nfs/dbraw/zinc/51/23/83/369512383.db2.gz ZOGQECLZGAQAJA-CHWSQXEVSA-N 0 3 243.347 0.886 20 0 BCADHN CCCN1CC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000619896926 369628217 /nfs/dbraw/zinc/62/82/17/369628217.db2.gz BJWPGLKCLMNUDE-GFCCVEGCSA-N 0 3 238.331 0.934 20 0 BCADHN CCCN1CC[C@@H](NC(=O)c2csnn2)C1 ZINC000619895851 369628767 /nfs/dbraw/zinc/62/87/67/369628767.db2.gz OAXBPOITNNMOQY-MRVPVSSYSA-N 0 3 240.332 0.752 20 0 BCADHN CCCN1CC[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000619896141 369629089 /nfs/dbraw/zinc/62/90/89/369629089.db2.gz ZIMYDSRJTDEMIA-JTQLQIEISA-N 0 3 236.319 0.932 20 0 BCADHN CCCN1CC[C@H](NC(=O)Cn2ccnc2)C1 ZINC000619898430 369629508 /nfs/dbraw/zinc/62/95/08/369629508.db2.gz FSFVQJUVBUYIAV-NSHDSACASA-N 0 3 236.319 0.484 20 0 BCADHN CCCN1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000619898559 369630391 /nfs/dbraw/zinc/63/03/91/369630391.db2.gz KIZITCQPAKCEFJ-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CCCN1CC[C@@H](NC(=O)c2ccnn2C)C1 ZINC000619899175 369630800 /nfs/dbraw/zinc/63/08/00/369630800.db2.gz NWHSHHVFCZBSBF-SNVBAGLBSA-N 0 3 236.319 0.634 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@@H](O)C(C)C)C1 ZINC000619903373 369634266 /nfs/dbraw/zinc/63/42/66/369634266.db2.gz ASPHQOWGHGPBSJ-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CCCN1CC[C@H](NC(=O)Cc2cncnc2)C1 ZINC000619902601 369634333 /nfs/dbraw/zinc/63/43/33/369634333.db2.gz LLDPBLGNBFOHQM-LBPRGKRZSA-N 0 3 248.330 0.620 20 0 BCADHN CCCN1CC[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC000619905429 369635063 /nfs/dbraw/zinc/63/50/63/369635063.db2.gz XNXGRIUVNDOXTB-SNVBAGLBSA-N 0 3 236.319 0.932 20 0 BCADHN CCCN1CC[C@@H](NC(=O)[C@@H](O)C2CC2)C1 ZINC000619905608 369635244 /nfs/dbraw/zinc/63/52/44/369635244.db2.gz ZPZSCHRLMOSUNY-MNOVXSKESA-N 0 3 226.320 0.358 20 0 BCADHN C[C@H](O)C1(NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000620067669 369702074 /nfs/dbraw/zinc/70/20/74/369702074.db2.gz NISKAPPVFPEUQV-MXWKQRLJSA-N 0 3 240.347 0.889 20 0 BCADHN C[C@H](CCO)CNC(=O)N[C@H]1CCCN(C)C1 ZINC000073813094 369736970 /nfs/dbraw/zinc/73/69/70/369736970.db2.gz SZEMAGYPUMUNNY-MNOVXSKESA-N 0 3 243.351 0.398 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H]2COC[C@H]2C1)N(C)C ZINC000620138362 369745026 /nfs/dbraw/zinc/74/50/26/369745026.db2.gz RPOFTLQYQKSKKR-IJLUTSLNSA-N 0 3 240.347 0.822 20 0 BCADHN C[C@@H](CCO)CNC(=O)N[C@H]1CCCN(C)C1 ZINC000073813093 369736664 /nfs/dbraw/zinc/73/66/64/369736664.db2.gz SZEMAGYPUMUNNY-QWRGUYRKSA-N 0 3 243.351 0.398 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000568076113 326304837 /nfs/dbraw/zinc/30/48/37/326304837.db2.gz QJGLSVACSLVLNA-DJLDLDEBSA-N 0 3 220.276 0.251 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(CO)C1)N(C)C ZINC000620458895 369885430 /nfs/dbraw/zinc/88/54/30/369885430.db2.gz WRFQEWVDOCPGJR-WZRBSPASSA-N 0 3 242.363 0.804 20 0 BCADHN CO[C@@]1(C)C[C@H]1NC(=O)Cc1nc[nH]c1C ZINC000620549558 369914087 /nfs/dbraw/zinc/91/40/87/369914087.db2.gz GMUPKSLFTSPIHR-KOLCDFICSA-N 0 3 223.276 0.554 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)c1nccn1C ZINC000620597400 369947816 /nfs/dbraw/zinc/94/78/16/369947816.db2.gz ZRUNQAQLDYVDEP-SNVBAGLBSA-N 0 3 238.335 0.938 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCCN(C)C1 ZINC000620774684 370000532 /nfs/dbraw/zinc/00/05/32/370000532.db2.gz IGICWTGVCMLHAV-LLVKDONJSA-N 0 3 227.352 0.537 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@H](C)N1 ZINC000620907752 370053824 /nfs/dbraw/zinc/05/38/24/370053824.db2.gz YOMNVKFWSDPKJN-ATZCPNFKSA-N 0 3 241.335 0.110 20 0 BCADHN CC[C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H](C)N1 ZINC000620904654 370051645 /nfs/dbraw/zinc/05/16/45/370051645.db2.gz VMEKSIGGKOGPKM-GXSJLCMTSA-N 0 3 248.330 0.998 20 0 BCADHN CC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H](C)N1 ZINC000620906092 370052044 /nfs/dbraw/zinc/05/20/44/370052044.db2.gz PLEQJRPQPDNNCQ-DTWKUNHWSA-N 0 3 222.292 0.622 20 0 BCADHN CC[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H](C)N1 ZINC000620906092 370052048 /nfs/dbraw/zinc/05/20/48/370052048.db2.gz PLEQJRPQPDNNCQ-DTWKUNHWSA-N 0 3 222.292 0.622 20 0 BCADHN CC[C@@H]1CN(C(=O)Cn2cccn2)C[C@H](C)N1 ZINC000620906553 370052126 /nfs/dbraw/zinc/05/21/26/370052126.db2.gz HPRNSWGFMUYVSI-WDEREUQCSA-N 0 3 236.319 0.482 20 0 BCADHN CNS(=O)(=O)CCN1C[C@H](C)C[C@@H](C)C1 ZINC000621245386 370178952 /nfs/dbraw/zinc/17/89/52/370178952.db2.gz BKGASVXTGAVNCN-NXEZZACHSA-N 0 3 234.365 0.514 20 0 BCADHN CC[C@@H]1CCCCN1CCS(=O)(=O)NC ZINC000621245400 370180268 /nfs/dbraw/zinc/18/02/68/370180268.db2.gz CIAMCURJGCGNLA-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN CC[C@H]1CCCN(CCS(=O)(=O)NC)C1 ZINC000621245623 370180397 /nfs/dbraw/zinc/18/03/97/370180397.db2.gz NOIPNDXZJUPDRI-JTQLQIEISA-N 0 3 234.365 0.658 20 0 BCADHN CNS(=O)(=O)CCN(C)[C@H](C)C1CC1 ZINC000621245460 370180661 /nfs/dbraw/zinc/18/06/61/370180661.db2.gz GLKYZERTJNDVJX-MRVPVSSYSA-N 0 3 220.338 0.266 20 0 BCADHN CCCN(CCC)CCS(=O)(=O)NC ZINC000621247162 370181558 /nfs/dbraw/zinc/18/15/58/370181558.db2.gz ITAABADOORAZHE-UHFFFAOYSA-N 0 3 222.354 0.658 20 0 BCADHN CNS(=O)(=O)CCN([C@H](C)C1CC1)C1CC1 ZINC000621247351 370182040 /nfs/dbraw/zinc/18/20/40/370182040.db2.gz QLBQSLWZAFTXEO-SECBINFHSA-N 0 3 246.376 0.799 20 0 BCADHN CC(C)[C@H]1CN(C(=O)COCC2CC2)CCN1 ZINC000621150536 370123919 /nfs/dbraw/zinc/12/39/19/370123919.db2.gz HIMZIWIWPSNCES-GFCCVEGCSA-N 0 3 240.347 0.869 20 0 BCADHN CCN(CC)CC(=O)N1CCN[C@H](C(C)C)C1 ZINC000621151568 370124058 /nfs/dbraw/zinc/12/40/58/370124058.db2.gz DJJMQPQRUXBKAW-LBPRGKRZSA-N 0 3 241.379 0.785 20 0 BCADHN CC[C@H](OC)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000621152044 370124076 /nfs/dbraw/zinc/12/40/76/370124076.db2.gz NSEWNQXTDMRNML-QWRGUYRKSA-N 0 3 228.336 0.868 20 0 BCADHN CCCOCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621151625 370124300 /nfs/dbraw/zinc/12/43/00/370124300.db2.gz FNUAPGLMVQGMMQ-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1nccc(C(=O)N2CCN[C@@H](C(C)C)C2)n1 ZINC000621151435 370124452 /nfs/dbraw/zinc/12/44/52/370124452.db2.gz AOQJDLHGAVBBIX-GFCCVEGCSA-N 0 3 248.330 0.855 20 0 BCADHN COCCOCC(=O)N1CCN[C@H](C(C)C)C1 ZINC000621153310 370125618 /nfs/dbraw/zinc/12/56/18/370125618.db2.gz PKGLNVWAZMDQEO-NSHDSACASA-N 0 3 244.335 0.106 20 0 BCADHN COC(C)(C)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000621153677 370125785 /nfs/dbraw/zinc/12/57/85/370125785.db2.gz XHEACLCTIIVFJM-JTQLQIEISA-N 0 3 228.336 0.868 20 0 BCADHN CC(C)[C@H]1CN(C(=O)C[C@H]2CCOC2)CCN1 ZINC000621154377 370127426 /nfs/dbraw/zinc/12/74/26/370127426.db2.gz KQTADRQQKURBDM-VXGBXAGGSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)[C@H]1CN(C(=O)C2(O)CCCC2)CCN1 ZINC000621154574 370127615 /nfs/dbraw/zinc/12/76/15/370127615.db2.gz OAXKCHDNYFXPER-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)[C@H]1CN(C(=O)CCC(C)(C)O)CCN1 ZINC000621156840 370128802 /nfs/dbraw/zinc/12/88/02/370128802.db2.gz JMKKNOJYFPSRFX-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN COC1(C(=O)N2CCN[C@H](C(C)C)C2)CC1 ZINC000621161451 370132950 /nfs/dbraw/zinc/13/29/50/370132950.db2.gz ZVKGBLKUFCUASD-JTQLQIEISA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@](C)(CO)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000568201707 326325272 /nfs/dbraw/zinc/32/52/72/326325272.db2.gz XIGOIRBQSCNNGV-GMXVVIOVSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@@H]1[C@H](C)CCN1CCS(=O)(=O)NC ZINC000621281169 370212225 /nfs/dbraw/zinc/21/22/25/370212225.db2.gz TYONNHOEVWODPQ-NXEZZACHSA-N 0 3 234.365 0.656 20 0 BCADHN CNS(=O)(=O)CCN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000621285840 370214364 /nfs/dbraw/zinc/21/43/64/370214364.db2.gz NFEFMRGMJLNNGM-OUAUKWLOSA-N 0 3 248.392 0.902 20 0 BCADHN CC(C)N(CCN(C)C)c1nccn(C)c1=O ZINC000621292111 370218985 /nfs/dbraw/zinc/21/89/85/370218985.db2.gz PAGSIUIGIFQEQS-UHFFFAOYSA-N 0 3 238.335 0.557 20 0 BCADHN CNS(=O)(=O)CCNC1(C(C)C)CC1 ZINC000621298042 370226463 /nfs/dbraw/zinc/22/64/63/370226463.db2.gz HBQIFERTNUWGSU-UHFFFAOYSA-N 0 3 220.338 0.314 20 0 BCADHN CNS(=O)(=O)CCN1[C@@H](C)CCC1(C)C ZINC000621300202 370229522 /nfs/dbraw/zinc/22/95/22/370229522.db2.gz AXSNAOAECLOWQJ-VIFPVBQESA-N 0 3 234.365 0.799 20 0 BCADHN COC(=O)CC1(NCc2cn[nH]c2)CCC1 ZINC000309574980 370232047 /nfs/dbraw/zinc/23/20/47/370232047.db2.gz OPKMUZGMWZVZLQ-UHFFFAOYSA-N 0 3 223.276 0.985 20 0 BCADHN CNS(=O)(=O)CCN1C[C@H](C)[C@H](C)[C@H]1C ZINC000621302992 370233119 /nfs/dbraw/zinc/23/31/19/370233119.db2.gz URLQZQBDMMWRHQ-LPEHRKFASA-N 0 3 234.365 0.512 20 0 BCADHN CNS(=O)(=O)CCN1CC[C@@H](C)C[C@H]1C ZINC000621305199 370234260 /nfs/dbraw/zinc/23/42/60/370234260.db2.gz SMYAPGNRXYVHRB-NXEZZACHSA-N 0 3 234.365 0.656 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1Cc1ccnc(C)c1 ZINC000621312295 370237466 /nfs/dbraw/zinc/23/74/66/370237466.db2.gz PJSQPUUXDFEDLY-QWHCGFSZSA-N 0 3 236.315 0.972 20 0 BCADHN CN1CCN(CCCN2CCCC2=O)CC1 ZINC000064030313 370238160 /nfs/dbraw/zinc/23/81/60/370238160.db2.gz PMJNFHYCXSKLIB-UHFFFAOYSA-N 0 3 225.336 0.246 20 0 BCADHN CCC[C@@]1(NCC(=O)NC2CC2)CCOC1 ZINC000309708660 370246766 /nfs/dbraw/zinc/24/67/66/370246766.db2.gz PTIFHUZYPLSDMM-GFCCVEGCSA-N 0 3 226.320 0.814 20 0 BCADHN CNS(=O)(=O)CCN1C[C@H](C)[C@@H](C)C1 ZINC000621260860 370193925 /nfs/dbraw/zinc/19/39/25/370193925.db2.gz UKDHJLWQOXFUMS-IUCAKERBSA-N 0 3 220.338 0.123 20 0 BCADHN CNS(=O)(=O)CCN(C)[C@H](C)C1(C)CC1 ZINC000621262350 370194932 /nfs/dbraw/zinc/19/49/32/370194932.db2.gz YMJMTIYSDMNXOJ-SECBINFHSA-N 0 3 234.365 0.656 20 0 BCADHN CNS(=O)(=O)CCN1CC[C@@H](C)[C@@H](C)C1 ZINC000621271657 370202121 /nfs/dbraw/zinc/20/21/21/370202121.db2.gz PJCRJAHMXXLQLP-ZJUUUORDSA-N 0 3 234.365 0.514 20 0 BCADHN CNS(=O)(=O)CCN1CCC2(CC2)CC1 ZINC000621271096 370202145 /nfs/dbraw/zinc/20/21/45/370202145.db2.gz WYIBTZFNUYAQDS-UHFFFAOYSA-N 0 3 232.349 0.412 20 0 BCADHN CNS(=O)(=O)CCN(C)C[C@@H]1CC=CCC1 ZINC000621276403 370207626 /nfs/dbraw/zinc/20/76/26/370207626.db2.gz FPEQJDNEMNIMKZ-LLVKDONJSA-N 0 3 246.376 0.824 20 0 BCADHN CCOc1cncc(CN[C@H](C)CC(N)=O)c1 ZINC000621341592 370275033 /nfs/dbraw/zinc/27/50/33/370275033.db2.gz TVGYNOLKFBJLRI-SECBINFHSA-N 0 3 237.303 0.834 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@H]1NCc1nccnc1C ZINC000621343927 370277832 /nfs/dbraw/zinc/27/78/32/370277832.db2.gz VZGDFFZZFCGZEW-GHMZBOCLSA-N 0 3 248.330 0.789 20 0 BCADHN CCN[C@H](C)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000621346060 370281461 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/nfs/dbraw/zinc/07/18/18/183071818.db2.gz UGBXHZXDPBUCMZ-UHFFFAOYSA-N 0 3 221.300 0.962 20 0 BCADHN OCC[C@H](NCc1ncc[nH]1)C1CCOCC1 ZINC000359596079 183097460 /nfs/dbraw/zinc/09/74/60/183097460.db2.gz GYWVXLDDEUADSB-NSHDSACASA-N 0 3 239.319 0.677 20 0 BCADHN OCCN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000308879088 183074323 /nfs/dbraw/zinc/07/43/23/183074323.db2.gz VCHXBIGGELKVSV-MRVPVSSYSA-N 0 3 227.226 0.758 20 0 BCADHN OCCN1CCC[C@H](c2ccncn2)C1 ZINC000072381308 183074675 /nfs/dbraw/zinc/07/46/75/183074675.db2.gz HMJTYFCTAVVUHW-JTQLQIEISA-N 0 3 207.277 0.648 20 0 BCADHN OCCN1CCc2ccccc2[C@@H]1CO ZINC000133884136 183076251 /nfs/dbraw/zinc/07/62/51/183076251.db2.gz YHSFAFUBWINAAO-LBPRGKRZSA-N 0 3 207.273 0.570 20 0 BCADHN OCCN[C@@H](CO)c1ccc(Cl)cc1 ZINC000273130502 183078485 /nfs/dbraw/zinc/07/84/85/183078485.db2.gz RKIGMDOFXKPGIW-JTQLQIEISA-N 0 3 215.680 0.955 20 0 BCADHN OCCN[C@@H]1c2ccccc2CC[C@H]1CO ZINC000364586519 183079068 /nfs/dbraw/zinc/07/90/68/183079068.db2.gz YPBKTYLBVSXUEW-AAEUAGOBSA-N 0 3 221.300 0.864 20 0 BCADHN OCCOCCNCc1cnn2ccccc12 ZINC000071372764 183085081 /nfs/dbraw/zinc/08/50/81/183085081.db2.gz PRDRQPUYTKDGQD-UHFFFAOYSA-N 0 3 235.287 0.433 20 0 BCADHN OCCOCCN1CCN(CC2CC2)CC1 ZINC000042490931 183085098 /nfs/dbraw/zinc/08/50/98/183085098.db2.gz OFPXMJWALOZIOY-UHFFFAOYSA-N 0 3 228.336 0.023 20 0 BCADHN OC[C@@H](O)CNCc1ccc(-n2ccnc2)cc1 ZINC000090282755 183111674 /nfs/dbraw/zinc/11/16/74/183111674.db2.gz HHFWHBHTUAFXIW-ZDUSSCGKSA-N 0 3 247.298 0.315 20 0 BCADHN OC[C@@H](O)CNC/C=C/c1ccc(F)c(F)c1 ZINC000286046917 183112016 /nfs/dbraw/zinc/11/20/16/183112016.db2.gz QYZULMMIBMPVQK-YOLVWIGZSA-N 0 3 243.253 0.921 20 0 BCADHN CCCC[C@H](COC)N[C@@H](C)C(=O)NC ZINC000336767144 169004766 /nfs/dbraw/zinc/00/47/66/169004766.db2.gz SHFRYWYRAWQPTE-VHSXEESVSA-N 0 3 216.325 0.916 20 0 BCADHN CCCC[C@H](N)C(=O)NCCC(=O)OC(C)C ZINC000353504363 169005729 /nfs/dbraw/zinc/00/57/29/169005729.db2.gz ZRRRUSNSIMCKIQ-JTQLQIEISA-N 0 3 244.335 0.962 20 0 BCADHN CCCC[C@H](N)C(=O)NCCCC(=O)OC ZINC000040832173 169006224 /nfs/dbraw/zinc/00/62/24/169006224.db2.gz FZAAGJSVQLHHHT-VIFPVBQESA-N 0 3 230.308 0.573 20 0 BCADHN CCCC[C@H](N)C(=O)NCc1cnn(C)c1 ZINC000041055132 169007591 /nfs/dbraw/zinc/00/75/91/169007591.db2.gz WIOFUVQRKSLOMW-JTQLQIEISA-N 0 3 224.308 0.554 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@@H](C)Cn1cccn1 ZINC000037619562 169007706 /nfs/dbraw/zinc/00/77/06/169007706.db2.gz FJAPAHPUEYODSI-QWRGUYRKSA-N 0 3 238.335 0.905 20 0 BCADHN CCCC[C@H](N)C(=O)NCCOCC ZINC000037480739 169007975 /nfs/dbraw/zinc/00/79/75/169007975.db2.gz XZJFTCXCCJHZNU-VIFPVBQESA-N 0 3 202.298 0.657 20 0 BCADHN CCCC[C@H](N)C(=O)NCCNC(=O)C(C)C ZINC000040806760 169008164 /nfs/dbraw/zinc/00/81/64/169008164.db2.gz URZJKUJZQAULMV-JTQLQIEISA-N 0 3 243.351 0.392 20 0 BCADHN OC[C@@H](NCc1ccccn1)C1CCOCC1 ZINC000359877838 183109492 /nfs/dbraw/zinc/10/94/92/183109492.db2.gz RAIVJTZQKRSIED-CYBMUJFWSA-N 0 3 236.315 0.959 20 0 BCADHN OC[C@@H](NCc1ccncc1)[C@H]1CCCO1 ZINC000336659905 183110081 /nfs/dbraw/zinc/11/00/81/183110081.db2.gz ASYVIZFXTNOUDS-VXGBXAGGSA-N 0 3 222.288 0.711 20 0 BCADHN OC[C@@H](O)CNCc1cccc2cccnc21 ZINC000090282537 183110515 /nfs/dbraw/zinc/11/05/15/183110515.db2.gz BFLXYCHZBGIMRU-LBPRGKRZSA-N 0 3 232.283 0.678 20 0 BCADHN OC[C@@H](O)CNC/C=C/c1ccccc1 ZINC000083345053 183110767 /nfs/dbraw/zinc/11/07/67/183110767.db2.gz MTPZYZIVHNJRDE-NTYUQYKDSA-N 0 3 207.273 0.643 20 0 BCADHN OC[C@@H](O)CNCc1cccc2[nH]ccc21 ZINC000085247543 183111163 /nfs/dbraw/zinc/11/11/63/183111163.db2.gz SPADJTBQHSLNJM-JTQLQIEISA-N 0 3 220.272 0.611 20 0 BCADHN OC[C@@H](O)CNC/C=C\c1ccc(F)c(F)c1 ZINC000352698329 183111237 /nfs/dbraw/zinc/11/12/37/183111237.db2.gz QYZULMMIBMPVQK-SYBPUXJVSA-N 0 3 243.253 0.921 20 0 BCADHN OC[C@@H](O)CNCc1cccc2c[nH]nc21 ZINC000309514855 183111367 /nfs/dbraw/zinc/11/13/67/183111367.db2.gz RAKDCHDIWRCAOH-JTQLQIEISA-N 0 3 221.260 0.006 20 0 BCADHN OC[C@H]1[C@@H]2CN(CCOCC(F)F)C[C@H]12 ZINC000366446703 183132863 /nfs/dbraw/zinc/13/28/63/183132863.db2.gz XTMAPPFWIQJTOX-BRPSZJMVSA-N 0 3 221.247 0.438 20 0 BCADHN OC[C@@]1(NCC2=CCCOC2)CCOC1 ZINC000328677121 183134853 /nfs/dbraw/zinc/13/48/53/183134853.db2.gz RZINJCXTUSZXJR-NSHDSACASA-N 0 3 213.277 0.074 20 0 BCADHN OC[C@@]1(NCc2ccncc2)CCOC1 ZINC000308950967 183134858 /nfs/dbraw/zinc/13/48/58/183134858.db2.gz VCANQMGVVYLRLX-NSHDSACASA-N 0 3 208.261 0.323 20 0 BCADHN OC[C@H](CC(F)(F)F)N[C@H]1CCOC1 ZINC000336668266 183136042 /nfs/dbraw/zinc/13/60/42/183136042.db2.gz WTAJUPWVVDETTR-BQBZGAKWSA-N 0 3 213.199 0.678 20 0 BCADHN OC[C@H](O)CNCc1ccc2cc[nH]c2c1 ZINC000083350419 183142240 /nfs/dbraw/zinc/14/22/40/183142240.db2.gz GRPYZRRUARNPLX-LLVKDONJSA-N 0 3 220.272 0.611 20 0 BCADHN OC[C@H](O)CNc1ccncc1-c1cccnc1 ZINC000376402840 183142970 /nfs/dbraw/zinc/14/29/70/183142970.db2.gz KQODAMKKQJXKEK-LLVKDONJSA-N 0 3 245.282 0.331 20 0 BCADHN OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC000034558718 183123736 /nfs/dbraw/zinc/12/37/36/183123736.db2.gz PAZOUOCFOKZLSA-STQMWFEESA-N 0 3 221.300 0.862 20 0 BCADHN OC[C@@H]1CC[C@H](CNCc2ccco2)O1 ZINC000292710962 183124199 /nfs/dbraw/zinc/12/41/99/183124199.db2.gz OPZCLONVIMYITF-MNOVXSKESA-N 0 3 211.261 0.909 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1C[C@@H](O)c1ccccc1 ZINC000186540081 183128849 /nfs/dbraw/zinc/12/88/49/183128849.db2.gz IUYGCLGKLZQKMX-RWMBFGLXSA-N 0 3 237.299 0.148 20 0 BCADHN O=C1NCCN1CCN1CCC[C@H](CO)CC1 ZINC000328874862 183148548 /nfs/dbraw/zinc/14/85/48/183148548.db2.gz RVGZZMQEZYWEHH-NSHDSACASA-N 0 3 241.335 0.310 20 0 BCADHN OC[C@]1(F)CCN(CCCn2ccnc2)C1 ZINC000338594105 183157552 /nfs/dbraw/zinc/15/75/52/183157552.db2.gz NDYWGMPUKOTKIU-NSHDSACASA-N 0 3 227.283 0.680 20 0 BCADHN OC[C@]1(F)CCN(CC[C@H]2CCCO2)C1 ZINC000338586288 183157729 /nfs/dbraw/zinc/15/77/29/183157729.db2.gz FCJCHISRIZSZII-MNOVXSKESA-N 0 3 217.284 0.962 20 0 BCADHN OC[C@]1(F)CCN(C[C@H]2CCOC2)C1 ZINC000338587812 183158790 /nfs/dbraw/zinc/15/87/90/183158790.db2.gz PDUWLDHCROLKHM-ZJUUUORDSA-N 0 3 203.257 0.429 20 0 BCADHN OCc1ccc(CN2CCC[C@@H]2CO)o1 ZINC000092470923 183163248 /nfs/dbraw/zinc/16/32/48/183163248.db2.gz ZPIJXDBHYYPKLG-SECBINFHSA-N 0 3 211.261 0.729 20 0 BCADHN O[C@@H](COC1CCOCC1)CN1CCC1 ZINC000336643100 183182402 /nfs/dbraw/zinc/18/24/02/183182402.db2.gz BNCSTXGCDGAAJL-SNVBAGLBSA-N 0 3 215.293 0.249 20 0 BCADHN CCCN(C)C(=O)C1(N)CCOCC1 ZINC000149648425 169051496 /nfs/dbraw/zinc/05/14/96/169051496.db2.gz LJOTWMPOLYSXQM-UHFFFAOYSA-N 0 3 200.282 0.363 20 0 BCADHN O[C@@H](CN1CC[C@@H](O)C1)c1ccc(F)cc1 ZINC000265119064 183197812 /nfs/dbraw/zinc/19/78/12/183197812.db2.gz FAMOOEVINAKLRB-NEPJUHHUSA-N 0 3 225.263 0.926 20 0 BCADHN CCCN(C)CC(=O)NC[C@@]1(O)CCSC1 ZINC000331050853 169069485 /nfs/dbraw/zinc/06/94/85/169069485.db2.gz XXOWLTXNJZDJFL-NSHDSACASA-N 0 3 246.376 0.312 20 0 BCADHN CCCN(C)CC(=O)NC[C@@](C)(O)CCOC ZINC000359660849 169069511 /nfs/dbraw/zinc/06/95/11/169069511.db2.gz LSZZGUMNQGTALY-LBPRGKRZSA-N 0 3 246.351 0.232 20 0 BCADHN CCCN(C)CC(=O)NCC[C@@H](O)CC ZINC000358632595 169070114 /nfs/dbraw/zinc/07/01/14/169070114.db2.gz CTGBKRSCYOABAJ-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN CCCN(C)CC(=O)NCC1(C)COC1 ZINC000352905520 169070223 /nfs/dbraw/zinc/07/02/23/169070223.db2.gz ZAVLQMLITUEBDG-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN CCCN(C)CC(=O)NCC(=O)OCC ZINC000359329142 169070350 /nfs/dbraw/zinc/07/03/50/169070350.db2.gz ISOZNEPHCGFQKU-UHFFFAOYSA-N 0 3 216.281 0.008 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](OC)C1CC1 ZINC000358165506 169070690 /nfs/dbraw/zinc/07/06/90/169070690.db2.gz AOQAAEPWWYCFNK-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN O[C@@H]1c2ccccc2C[C@@H]1N1CCOC[C@@H](O)C1 ZINC000295442647 183208337 /nfs/dbraw/zinc/20/83/37/183208337.db2.gz DRVMTIOVRUGTEU-FPMFFAJLSA-N 0 3 249.310 0.338 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](O)C(F)F ZINC000355168088 169070970 /nfs/dbraw/zinc/07/09/70/169070970.db2.gz SAKOGOJBZXYEDH-SSDOTTSWSA-N 0 3 224.251 0.070 20 0 BCADHN CCCN(C)CC(=O)NC[C@@](C)(O)CCC ZINC000359135334 169071023 /nfs/dbraw/zinc/07/10/23/169071023.db2.gz FBCNBXXYMRHEAC-LBPRGKRZSA-N 0 3 230.352 0.996 20 0 BCADHN CCCN(C)CC(=O)NCCOCC1CC1 ZINC000342108497 169071601 /nfs/dbraw/zinc/07/16/01/169071601.db2.gz DHUYQVPYZGOARZ-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CCCN(C)CC(=O)NC[C@](C)(O)CC ZINC000359254738 169072161 /nfs/dbraw/zinc/07/21/61/169072161.db2.gz WLZDWKDXJYPBSQ-LLVKDONJSA-N 0 3 216.325 0.605 20 0 BCADHN CCCN(C)CC(=O)N[C@@](C)(CC)C(=O)OC ZINC000355596861 169072321 /nfs/dbraw/zinc/07/23/21/169072321.db2.gz LMFDEVXTRSHUND-LBPRGKRZSA-N 0 3 244.335 0.786 20 0 BCADHN CCCN(C)CC(=O)NC[C@](C)(O)CCOC ZINC000359660848 169072925 /nfs/dbraw/zinc/07/29/25/169072925.db2.gz LSZZGUMNQGTALY-GFCCVEGCSA-N 0 3 246.351 0.232 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)c1nncn1C ZINC000330566005 169072984 /nfs/dbraw/zinc/07/29/84/169072984.db2.gz VSARFJGRDGQDCD-VIFPVBQESA-N 0 3 239.323 0.334 20 0 BCADHN CCCN(C)CC(=O)NCc1ccc(=O)[nH]c1 ZINC000355588107 169074337 /nfs/dbraw/zinc/07/43/37/169074337.db2.gz QYEKFVHROAXMQB-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)c1nncn1C ZINC000330566004 169075632 /nfs/dbraw/zinc/07/56/32/169075632.db2.gz VSARFJGRDGQDCD-SECBINFHSA-N 0 3 239.323 0.334 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)c1cnn(C)c1 ZINC000330919136 169075637 /nfs/dbraw/zinc/07/56/37/169075637.db2.gz YBBSZFLINCKYRN-SNVBAGLBSA-N 0 3 238.335 0.939 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359253594 169076281 /nfs/dbraw/zinc/07/62/81/169076281.db2.gz RVHMMTSUUNQXGE-NSHDSACASA-N 0 3 239.363 0.681 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)Cn1cncn1 ZINC000359255569 169076651 /nfs/dbraw/zinc/07/66/51/169076651.db2.gz WFCHFPXXAVXIBY-SNVBAGLBSA-N 0 3 239.323 0.125 20 0 BCADHN O[C@@H]1CN(CCN2CCc3ccccc32)C[C@H]1O ZINC000292908519 183207050 /nfs/dbraw/zinc/20/70/50/183207050.db2.gz RMFMKQYWUPCADQ-ZIAGYGMSSA-N 0 3 248.326 0.087 20 0 BCADHN CCCN(C)CC(=O)N(C)CCCC(=O)NC ZINC000338117949 169064134 /nfs/dbraw/zinc/06/41/34/169064134.db2.gz KSJJKIFGHZLDNA-UHFFFAOYSA-N 0 3 243.351 0.313 20 0 BCADHN CCCN(C)CC(=O)N(CC)C[C@@H](C)O ZINC000341322864 169064357 /nfs/dbraw/zinc/06/43/57/169064357.db2.gz OVQKKQYMVOSAIN-SNVBAGLBSA-N 0 3 216.325 0.558 20 0 BCADHN CCCN(C)CC(=O)N1CC2(C1)CCOC2 ZINC000342016573 169064558 /nfs/dbraw/zinc/06/45/58/169064558.db2.gz GOOZRJRLKXCKIU-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN CCCN(C)CC(=O)N(C)C[C@@H](C)O ZINC000360925693 169064886 /nfs/dbraw/zinc/06/48/86/169064886.db2.gz QEAUOOQRXXQPLO-SECBINFHSA-N 0 3 202.298 0.167 20 0 BCADHN CCCN(C)CC(=O)N(CC)CCOC ZINC000359347068 169065216 /nfs/dbraw/zinc/06/52/16/169065216.db2.gz SQIZWLPHOKNCMP-UHFFFAOYSA-N 0 3 216.325 0.823 20 0 BCADHN CCCN(C)CC(=O)N(C)[C@@H]1CCC[C@H]1O ZINC000341789743 169065307 /nfs/dbraw/zinc/06/53/07/169065307.db2.gz MNTVHNDWCSSPNQ-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN CCCN(C)CC(=O)N(C)CCOC ZINC000359245289 169065398 /nfs/dbraw/zinc/06/53/98/169065398.db2.gz SREWIROQYSXXJZ-UHFFFAOYSA-N 0 3 202.298 0.433 20 0 BCADHN CCCN(C)CC(=O)N(CCC)CCO ZINC000340503188 169065765 /nfs/dbraw/zinc/06/57/65/169065765.db2.gz AKMBXJABXRDMKF-UHFFFAOYSA-N 0 3 216.325 0.559 20 0 BCADHN CCCN(C)CCCS(=O)(=O)N(C)C ZINC000336676781 169079243 /nfs/dbraw/zinc/07/92/43/169079243.db2.gz ZNUGPFGJRQZLAD-UHFFFAOYSA-N 0 3 222.354 0.610 20 0 BCADHN O[C@H](CN1CC[C@@H](O)C1)c1ccc(F)cc1 ZINC000265119067 183221300 /nfs/dbraw/zinc/22/13/00/183221300.db2.gz FAMOOEVINAKLRB-VXGBXAGGSA-N 0 3 225.263 0.926 20 0 BCADHN O[C@H](CNc1ncccn1)CN1CCCCC1 ZINC000109145586 183226153 /nfs/dbraw/zinc/22/61/53/183226153.db2.gz JBZYSTIROCEKGG-LLVKDONJSA-N 0 3 236.319 0.735 20 0 BCADHN CCCN(C)S(=O)(=O)[C@@H]1CCCNC1 ZINC000037098731 169084666 /nfs/dbraw/zinc/08/46/66/169084666.db2.gz MDMRXHGRUNTTTJ-SECBINFHSA-N 0 3 220.338 0.410 20 0 BCADHN O[C@@H]1COC[C@H]1N1CC[C@H](N2CCCCC2)C1 ZINC000310249622 183210109 /nfs/dbraw/zinc/21/01/09/183210109.db2.gz XIWKDAPHCRKFRR-YNEHKIRRSA-N 0 3 240.347 0.306 20 0 BCADHN O[C@@H]1COC[C@H]1N1CCC(OCC2CC2)CC1 ZINC000361319546 183210287 /nfs/dbraw/zinc/21/02/87/183210287.db2.gz VXUBSJBEIBCFGK-CHWSQXEVSA-N 0 3 241.331 0.637 20 0 BCADHN O[C@@H]1COC[C@H]1NCc1ccc2c[nH]nc2c1 ZINC000295451435 183210417 /nfs/dbraw/zinc/21/04/17/183210417.db2.gz FCYNHMKPOPURJM-VXGBXAGGSA-N 0 3 233.271 0.412 20 0 BCADHN O[C@@H](Cc1ccc(F)cc1)CN1CC[C@H](O)C1 ZINC000292945214 183239794 /nfs/dbraw/zinc/23/97/94/183239794.db2.gz BQNUTCXJNQNAGQ-STQMWFEESA-N 0 3 239.290 0.796 20 0 BCADHN O[C@H](CN1CC[C@H](O)C1)c1ccccc1 ZINC000061708308 183240270 /nfs/dbraw/zinc/24/02/70/183240270.db2.gz FSASLDFNRPYGNZ-NWDGAFQWSA-N 0 3 207.273 0.787 20 0 BCADHN CCCN(CC)C(=O)[C@]1(F)CCNC1 ZINC000308935729 169117311 /nfs/dbraw/zinc/11/73/11/169117311.db2.gz OATMBTPTAKBNJN-JTQLQIEISA-N 0 3 202.273 0.947 20 0 BCADHN O[C@H]1COC[C@@H]1N1CCC2(CCOCC2)CC1 ZINC000361373172 183247132 /nfs/dbraw/zinc/24/71/32/183247132.db2.gz AVUOWBYGJVXASO-RYUDHWBXSA-N 0 3 241.331 0.639 20 0 BCADHN O=c1cc2c(n[nH]1)CCN(CCCF)C2 ZINC000360444355 183262860 /nfs/dbraw/zinc/26/28/60/183262860.db2.gz OAYHYBAGCTYNDE-UHFFFAOYSA-N 0 3 211.240 0.900 20 0 BCADHN O=c1cc2c(n[nH]1)CCN(C[C@H]1CCCO1)C2 ZINC000330146580 183262993 /nfs/dbraw/zinc/26/29/93/183262993.db2.gz LLELVGWVOLGSPC-SNVBAGLBSA-N 0 3 235.287 0.719 20 0 BCADHN CCCN(C[C@H](O)CC)[C@H]1CC(=O)N(C)C1=O ZINC000338320501 169173340 /nfs/dbraw/zinc/17/33/40/169173340.db2.gz MDROJSGLHKGYMQ-ZJUUUORDSA-N 0 3 242.319 0.227 20 0 BCADHN CCCN(CCCCO)[C@@H]1CC(=O)N(C)C1=O ZINC000338326678 169153631 /nfs/dbraw/zinc/15/36/31/169153631.db2.gz LYAPUDDXYQVUIU-SNVBAGLBSA-N 0 3 242.319 0.228 20 0 BCADHN CCCN(CCO)C(=O)CN(CC)CC ZINC000337498520 169161207 /nfs/dbraw/zinc/16/12/07/169161207.db2.gz HXGUESNHGUGELC-UHFFFAOYSA-N 0 3 216.325 0.559 20 0 BCADHN CCCN(CCO)C(=O)CN(C)C(C)C ZINC000339956856 169161324 /nfs/dbraw/zinc/16/13/24/169161324.db2.gz NTRGZYSEMCASNE-UHFFFAOYSA-N 0 3 216.325 0.558 20 0 BCADHN CCCN(CCO)C(=O)[C@@H](CC)N(C)C ZINC000342015490 169162532 /nfs/dbraw/zinc/16/25/32/169162532.db2.gz VOEPCFVPMTWSBD-SNVBAGLBSA-N 0 3 216.325 0.558 20 0 BCADHN CCCN(CCO)Cc1ccc(CO)o1 ZINC000128033934 169166734 /nfs/dbraw/zinc/16/67/34/169166734.db2.gz LSXWTZHKLQSDAZ-UHFFFAOYSA-N 0 3 213.277 0.976 20 0 BCADHN CCCN1CCC(CNS(C)(=O)=O)CC1 ZINC000072057917 169186198 /nfs/dbraw/zinc/18/61/98/169186198.db2.gz VRRMGQTZSBPFMY-UHFFFAOYSA-N 0 3 234.365 0.658 20 0 BCADHN CCCN1CCCN([C@@H]2CCOC2=O)CC1 ZINC000112408761 169192644 /nfs/dbraw/zinc/19/26/44/169192644.db2.gz ZHJLXFMJSUZRIQ-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN c1c[nH]c([C@@H]2CCCN(CCn3cncn3)C2)n1 ZINC000267414262 183326624 /nfs/dbraw/zinc/32/66/24/183326624.db2.gz IWGQPCPKABPNSW-LLVKDONJSA-N 0 3 246.318 0.881 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CCNCC1 ZINC000040508163 169194840 /nfs/dbraw/zinc/19/48/40/169194840.db2.gz OSKSWZHBPYCDCM-LLVKDONJSA-N 0 3 225.336 0.293 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CC[C@H](CO)C1 ZINC000340317371 169195332 /nfs/dbraw/zinc/19/53/32/169195332.db2.gz PTNINTVOTNDELY-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@@H](C)CC(N)=O ZINC000362362025 169195400 /nfs/dbraw/zinc/19/54/00/169195400.db2.gz OLFZRVGMHWQXEZ-VHSXEESVSA-N 0 3 241.335 0.241 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)CO ZINC000330474706 169195428 /nfs/dbraw/zinc/19/54/28/169195428.db2.gz SCPJYEIFLOZVNN-SDDRHHMPSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N(C)CC(N)=O ZINC000330690317 169195580 /nfs/dbraw/zinc/19/55/80/169195580.db2.gz FRCNWBVDVARKFI-SECBINFHSA-N 0 3 227.308 0.854 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CC(CO)C1 ZINC000358111610 169195804 /nfs/dbraw/zinc/19/58/04/169195804.db2.gz OKTMHYYBZFAYIH-LLVKDONJSA-N 0 3 226.320 0.312 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@H](CO)C(C)C ZINC000330752724 169197401 /nfs/dbraw/zinc/19/74/01/169197401.db2.gz XEZZGCQCJFVMOL-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCCC(N)=O ZINC000330922351 169199071 /nfs/dbraw/zinc/19/90/71/169199071.db2.gz BGYMUJURFTYRFZ-VIFPVBQESA-N 0 3 227.308 0.902 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N[C@H]1CCOC1 ZINC000337485717 169199605 /nfs/dbraw/zinc/19/96/05/169199605.db2.gz ZBASBYQPZHRHAO-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN CCCN1CCC[C@H]1CNS(=O)(=O)N(C)C ZINC000352500019 169199642 /nfs/dbraw/zinc/19/96/42/169199642.db2.gz NDPCFEHCFHXEEA-JTQLQIEISA-N 0 3 249.380 0.257 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NC[C@H](C)O ZINC000330602842 169199922 /nfs/dbraw/zinc/19/99/22/169199922.db2.gz HKHUEMQNVGZZAN-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN CCCN1CCN(Cc2ncc[nH]2)CC1 ZINC000336648548 169203107 /nfs/dbraw/zinc/20/31/07/169203107.db2.gz OZFJNDTWKJDRCY-UHFFFAOYSA-N 0 3 208.309 0.937 20 0 BCADHN CCCNC(=O)CN1CCN([C@H](C)CC)CC1 ZINC000337291862 169222950 /nfs/dbraw/zinc/22/29/50/169222950.db2.gz FICLAJHQUYYXSR-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CCCNC(=O)CN1C[C@H](C)[C@H](CO)C1 ZINC000362079405 169223011 /nfs/dbraw/zinc/22/30/11/169223011.db2.gz UOJJKERNZRLLBB-UWVGGRQHSA-N 0 3 214.309 0.073 20 0 BCADHN CCCNC(=O)CNC(=O)C1(N)CCCCC1 ZINC000035663396 169223747 /nfs/dbraw/zinc/22/37/47/169223747.db2.gz KSVUHRGADRZEFZ-UHFFFAOYSA-N 0 3 241.335 0.290 20 0 BCADHN CCCNC(=O)CNC(=O)[C@@H](N)[C@H](C)CC ZINC000035663414 169225471 /nfs/dbraw/zinc/22/54/71/169225471.db2.gz MNFNNIZZBLHIIN-SCZZXKLOSA-N 0 3 229.324 0.002 20 0 BCADHN CCCNC(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000035735865 169227498 /nfs/dbraw/zinc/22/74/98/169227498.db2.gz BOHANRNRGNEFEC-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN CCCNC(=O)CN[C@H](C)Cn1cccn1 ZINC000042540471 169229396 /nfs/dbraw/zinc/22/93/96/169229396.db2.gz NUKOPNHVHTWXIZ-SNVBAGLBSA-N 0 3 224.308 0.387 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@@H](N)C(C)C ZINC000045088573 169215835 /nfs/dbraw/zinc/21/58/35/169215835.db2.gz PUDBSKTUUYWTMB-JTQLQIEISA-N 0 3 229.324 0.002 20 0 BCADHN CCCNC(=O)CCNCc1ccnn1C ZINC000045072628 169217256 /nfs/dbraw/zinc/21/72/56/169217256.db2.gz ULKIYFPSULGJPQ-UHFFFAOYSA-N 0 3 224.308 0.426 20 0 BCADHN CCCNC(=O)CN(C)C1CCC(CO)CC1 ZINC000305045417 169218224 /nfs/dbraw/zinc/21/82/24/169218224.db2.gz ATCUHCFUMGDUCL-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN CCCNC(=O)CN(C)CCCn1ccnc1 ZINC000124274875 169218552 /nfs/dbraw/zinc/21/85/52/169218552.db2.gz UFIIHCGDUGEWIY-UHFFFAOYSA-N 0 3 238.335 0.731 20 0 BCADHN CCCNC(=O)CN(CC1CCC1)[C@H](C)CO ZINC000361502394 169219803 /nfs/dbraw/zinc/21/98/03/169219803.db2.gz WSAAZHVSGOIQEH-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN CCCNC(=O)CN(CCC)C(=O)[C@@H](N)CC ZINC000037818000 169219942 /nfs/dbraw/zinc/21/99/42/169219942.db2.gz CWZIJYAUOHEELI-JTQLQIEISA-N 0 3 243.351 0.489 20 0 BCADHN CCCNC(=O)CN1CCC[C@@H]1CCO ZINC000308788560 169220941 /nfs/dbraw/zinc/22/09/41/169220941.db2.gz CELKKUGYVODPTR-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN CCCNC(=O)CN(CCO)[C@@H](C)CC ZINC000308775413 169221656 /nfs/dbraw/zinc/22/16/56/169221656.db2.gz BDGDLLJSHFFDGQ-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN CCCNC(=O)CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000361749840 169221951 /nfs/dbraw/zinc/22/19/51/169221951.db2.gz GCDDCAVIEYBMFT-NEPJUHHUSA-N 0 3 240.347 0.871 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CCCC[C@H](CO)C1 ZINC000363348527 169241561 /nfs/dbraw/zinc/24/15/61/169241561.db2.gz PGXCUJXQYFVALM-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CCCN(C)CC1 ZINC000355585111 169241647 /nfs/dbraw/zinc/24/16/47/169241647.db2.gz ZMNKYEVPGIHKCU-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN CCCNC(=O)[C@H](C)NC(=O)[C@@](C)(N)CCC ZINC000037621980 169245751 /nfs/dbraw/zinc/24/57/51/169245751.db2.gz IWNUQXIQHKVQGU-CABZTGNLSA-N 0 3 243.351 0.535 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@@H](CC)[C@H](O)C1 ZINC000341021890 169246755 /nfs/dbraw/zinc/24/67/55/169246755.db2.gz WRJHDTDWTBFUOS-HBNTYKKESA-N 0 3 228.336 0.604 20 0 BCADHN CCCNC(=O)c1cccc(CNC(=O)CN)c1 ZINC000236871674 169252277 /nfs/dbraw/zinc/25/22/77/169252277.db2.gz XDWBNCJOAVFREZ-UHFFFAOYSA-N 0 3 249.314 0.401 20 0 BCADHN CCCNC(=O)c1cccc(NC(=O)CNC)c1 ZINC000037008827 169252576 /nfs/dbraw/zinc/25/25/76/169252576.db2.gz MTMQEQSKXNQQSO-UHFFFAOYSA-N 0 3 249.314 0.984 20 0 BCADHN CCCOCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000374876550 169303991 /nfs/dbraw/zinc/30/39/91/169303991.db2.gz OELUZOIOMHRLGC-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCCOCC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000310471323 169304065 /nfs/dbraw/zinc/30/40/65/169304065.db2.gz BJUIHRYNQCRQEM-CYBMUJFWSA-N 0 3 240.347 0.967 20 0 BCADHN CCC[C@@H](C(=O)N(CC)C[C@@H](C)O)N(C)C ZINC000341376448 169342919 /nfs/dbraw/zinc/34/29/19/169342919.db2.gz ACVOBHPGZKLNFN-MNOVXSKESA-N 0 3 230.352 0.946 20 0 BCADHN CCC[C@@H](C(=O)N1CCN(C)C[C@H]1C)N(C)C ZINC000354524218 169343894 /nfs/dbraw/zinc/34/38/94/169343894.db2.gz WUVMGYXCJVTUPW-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN CCCSCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368183710 169337211 /nfs/dbraw/zinc/33/72/11/169337211.db2.gz IGLOTPARIIRUAG-IUCAKERBSA-N 0 3 234.340 0.946 20 0 BCADHN CCC[C@@H](C)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000337326470 169367520 /nfs/dbraw/zinc/36/75/20/169367520.db2.gz WDQNGDFFFHOCIY-RKDXNWHRSA-N 0 3 220.338 0.538 20 0 BCADHN CCC[C@@H](C(=O)N[C@@H](C)CC(=O)OC)N(C)C ZINC000337943584 169344986 /nfs/dbraw/zinc/34/49/86/169344986.db2.gz GXBSGIABSATKIP-UWVGGRQHSA-N 0 3 244.335 0.785 20 0 BCADHN CCC[C@@H](C(=O)NC[C@H](C)O)N(C)C ZINC000127442077 169345310 /nfs/dbraw/zinc/34/53/10/169345310.db2.gz BMFRLBRHEXYRFI-IUCAKERBSA-N 0 3 202.298 0.214 20 0 BCADHN CCC[C@@H](C(=O)NCc1nnc[n-]1)[NH+](C)C ZINC000270683363 169345720 /nfs/dbraw/zinc/34/57/20/169345720.db2.gz TTWKNJBKMDXLMJ-QMMMGPOBSA-N 0 3 225.296 0.151 20 0 BCADHN CCC[C@@H](C)C(=O)NCC1(O)CCN(C)CC1 ZINC000354751408 169350486 /nfs/dbraw/zinc/35/04/86/169350486.db2.gz NUIKOGUAZGXLHQ-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN CCC[C@@H](C)CN1CCO[C@@H](C(N)=O)C1 ZINC000246016973 169358905 /nfs/dbraw/zinc/35/89/05/169358905.db2.gz ZRDKBXYQBNCWBX-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN CCC[C@@H](C)NS(=O)(=O)[C@@H]1CCCNC1 ZINC000019515307 169370715 /nfs/dbraw/zinc/37/07/15/169370715.db2.gz XMWKQVWDQCJGGZ-NXEZZACHSA-N 0 3 234.365 0.846 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)CCc1cnccn1 ZINC000262576135 169387350 /nfs/dbraw/zinc/38/73/50/169387350.db2.gz OIXJZAMDCJIBGA-LLVKDONJSA-N 0 3 236.319 0.605 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCN(CC)CC1 ZINC000000252398 169388232 /nfs/dbraw/zinc/38/82/32/169388232.db2.gz JXYIWWCXGKFVQP-SNVBAGLBSA-N 0 3 213.325 0.278 20 0 BCADHN CCC[C@@H](N)C(=O)NCCCc1nc(C)no1 ZINC000269043536 169388989 /nfs/dbraw/zinc/38/89/89/169388989.db2.gz CDGUKVAILXBREK-SECBINFHSA-N 0 3 240.307 0.554 20 0 BCADHN CCC[C@@H](N)C(=O)NC[C@@H](C)Cn1ccnc1 ZINC000236952250 169389061 /nfs/dbraw/zinc/38/90/61/169389061.db2.gz OHNLHASXLILODF-GHMZBOCLSA-N 0 3 238.335 0.763 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1ccc(=O)n(CC)c1 ZINC000037765987 169391427 /nfs/dbraw/zinc/39/14/27/169391427.db2.gz PJWWFDKSLQXHTM-SNVBAGLBSA-N 0 3 237.303 0.934 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1cnn(CC)c1 ZINC000036873303 169391510 /nfs/dbraw/zinc/39/15/10/169391510.db2.gz QUZYWSBMXGEVHP-SECBINFHSA-N 0 3 210.281 0.969 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1cccn(C)c1=O ZINC000236791053 169391555 /nfs/dbraw/zinc/39/15/55/169391555.db2.gz DMTHLZZYTRJHDA-MRVPVSSYSA-N 0 3 223.276 0.451 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1ccc(CC(N)=O)cc1 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ZINC000035217026 383844289 /nfs/dbraw/zinc/84/42/89/383844289.db2.gz ROEGULOIPRNKRE-UHFFFAOYSA-N 0 3 243.332 0.111 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@H]1CCCCN1 ZINC000237072698 383857914 /nfs/dbraw/zinc/85/79/14/383857914.db2.gz IEGAQWOPCCAGMY-DTWKUNHWSA-N 0 3 228.292 0.054 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@@H]1CCCCN1 ZINC000237071865 383859136 /nfs/dbraw/zinc/85/91/36/383859136.db2.gz IEGAQWOPCCAGMY-IUCAKERBSA-N 0 3 228.292 0.054 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000037815449 383861761 /nfs/dbraw/zinc/86/17/61/383861761.db2.gz VZFYAYWGLGUPEO-GARJFASQSA-N 0 3 226.320 0.894 20 0 BCADHN COC[C@H](O)CNCc1ccnn1CC(C)C ZINC000647209621 383862160 /nfs/dbraw/zinc/86/21/60/383862160.db2.gz RKZBYHHMKKTITJ-GFCCVEGCSA-N 0 3 241.335 0.636 20 0 BCADHN CC[C@H](N)C(=O)N(C)CC(=O)Nc1ccccc1 ZINC000037811014 383863043 /nfs/dbraw/zinc/86/30/43/383863043.db2.gz LATLUGVINYIRNQ-NSHDSACASA-N 0 3 249.314 0.821 20 0 BCADHN COC(=O)CCN1CCC(C)(O)CC1 ZINC000087781476 383864157 /nfs/dbraw/zinc/86/41/57/383864157.db2.gz WCFLBENCJRLTMM-UHFFFAOYSA-N 0 3 201.266 0.396 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)Cc1nccn1C ZINC000037822973 383864886 /nfs/dbraw/zinc/86/48/86/383864886.db2.gz IJIXQRIMVSDFTL-JTQLQIEISA-N 0 3 224.308 0.362 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)C[C@H](C)C(=O)OC ZINC000037823554 383865569 /nfs/dbraw/zinc/86/55/69/383865569.db2.gz UUDHENSEXGWJEG-JOYOIKCWSA-N 0 3 244.335 0.771 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CCC[C@H]1CCO ZINC000358520412 383832915 /nfs/dbraw/zinc/83/29/15/383832915.db2.gz HMHKRADCDYEZJN-MNOVXSKESA-N 0 3 243.351 0.493 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H](C)Cn1ccnc1 ZINC000036999354 383927926 /nfs/dbraw/zinc/92/79/26/383927926.db2.gz IGUUPQDLYKNQCR-NXEZZACHSA-N 0 3 224.308 0.371 20 0 BCADHN CN(C)S(=O)(=O)CCN1CC[C@@H]2CCC[C@H]21 ZINC000334287225 383929143 /nfs/dbraw/zinc/92/91/43/383929143.db2.gz HPBGJJNUFCYTIT-WDEREUQCSA-N 0 3 246.376 0.752 20 0 BCADHN CC(C)N1CC[C@@H](Nc2ccc3nnnn3n2)C1 ZINC000049281831 383882401 /nfs/dbraw/zinc/88/24/01/383882401.db2.gz GEOIGFLICIXGHY-SECBINFHSA-N 0 3 247.306 0.414 20 0 BCADHN OCCNCc1cccc2c1OCCCO2 ZINC000036168346 383886294 /nfs/dbraw/zinc/88/62/94/383886294.db2.gz CGZVQOCQFCAEAR-UHFFFAOYSA-N 0 3 223.272 0.930 20 0 BCADHN COCCNCC(=O)NCC1CCCCC1 ZINC000088225280 383889354 /nfs/dbraw/zinc/88/93/54/383889354.db2.gz MKWLTDAHEBRWBD-UHFFFAOYSA-N 0 3 228.336 0.919 20 0 BCADHN CCOCCNCc1cccc(C(N)=O)c1 ZINC000036229482 383890992 /nfs/dbraw/zinc/89/09/92/383890992.db2.gz FWHYNGUVHZUKPD-UHFFFAOYSA-N 0 3 222.288 0.912 20 0 BCADHN Cn1nccc1CN[C@H]1COCC1(C)C ZINC000313111184 383898309 /nfs/dbraw/zinc/89/83/09/383898309.db2.gz LVAXVXJGKXYBGF-JTQLQIEISA-N 0 3 209.293 0.935 20 0 BCADHN CSCCN1CCC[C@H]1CS(N)(=O)=O ZINC000407947342 383900233 /nfs/dbraw/zinc/90/02/33/383900233.db2.gz DSFGNRYQTMZAGL-QMMMGPOBSA-N 0 3 238.378 0.102 20 0 BCADHN CN(Cc1cc[nH]n1)C(=O)[C@H]1CCCCN1 ZINC000334643790 383902573 /nfs/dbraw/zinc/90/25/73/383902573.db2.gz GNTUGJMQVMKXER-SNVBAGLBSA-N 0 3 222.292 0.510 20 0 BCADHN CO[C@@H](CN[C@@]1(CO)CCOC1)C1CC1 ZINC000400241307 383978903 /nfs/dbraw/zinc/97/89/03/383978903.db2.gz WXGXEOHABDNTLE-WDEREUQCSA-N 0 3 215.293 0.152 20 0 BCADHN O=C([C@@H]1CSCN1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159353972 384002286 /nfs/dbraw/zinc/00/22/86/384002286.db2.gz YPEWXILLWQKYAF-AEJSXWLSSA-N 0 3 241.360 0.002 20 0 BCADHN CN(C)c1cccc(CNC(=O)C(C)(C)N)n1 ZINC000518529790 383984625 /nfs/dbraw/zinc/98/46/25/383984625.db2.gz WRIQEWLUIAEFNG-UHFFFAOYSA-N 0 3 236.319 0.501 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H](COC)C1 ZINC000081061583 383985727 /nfs/dbraw/zinc/98/57/27/383985727.db2.gz JXWRBQPZBXLNMS-GARJFASQSA-N 0 3 228.336 0.855 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2cccc[n+]2[O-])C1 ZINC000068487272 383994309 /nfs/dbraw/zinc/99/43/09/383994309.db2.gz IHGNPXZWKNOUOV-LLVKDONJSA-N 0 3 249.314 0.486 20 0 BCADHN CC[C@H]1CN(C)CCN1CCOCCOC ZINC000564880841 383939717 /nfs/dbraw/zinc/93/97/17/383939717.db2.gz FFWABJHIISHLRB-LBPRGKRZSA-N 0 3 230.352 0.675 20 0 BCADHN CCOC[C@H](O)CN1CCN(C)C[C@@H]1CC ZINC000564880932 383940141 /nfs/dbraw/zinc/94/01/41/383940141.db2.gz CJVNPEJNAZNOEL-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN COC[C@@H](O)CNCc1ccc(F)cc1 ZINC000070558637 383941060 /nfs/dbraw/zinc/94/10/60/383941060.db2.gz POQKCQNXEMZXTM-NSHDSACASA-N 0 3 213.252 0.923 20 0 BCADHN COC[C@H](O)CNCc1ccsc1 ZINC000070558994 383942419 /nfs/dbraw/zinc/94/24/19/383942419.db2.gz XIFQBCLQVOCHQA-SECBINFHSA-N 0 3 201.291 0.845 20 0 BCADHN CC[C@H](COC)NC(=O)[C@@H](N)C(C)(C)C ZINC000070626249 383943859 /nfs/dbraw/zinc/94/38/59/383943859.db2.gz ATCJZHDPFMCJOP-RKDXNWHRSA-N 0 3 216.325 0.901 20 0 BCADHN COc1c(CNCC2(C)COC2)c(C)nn1C ZINC000112711790 383944161 /nfs/dbraw/zinc/94/41/61/383944161.db2.gz JGOVVNOHSJRLJZ-UHFFFAOYSA-N 0 3 239.319 0.863 20 0 BCADHN CO[C@@H](CN[C@H]1CC(=O)N(C)C1)C1CC1 ZINC000400230685 383944236 /nfs/dbraw/zinc/94/42/36/383944236.db2.gz LYLCLJULTCXURM-UWVGGRQHSA-N 0 3 212.293 0.232 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1CCc1ccnn1C ZINC000296169744 383946072 /nfs/dbraw/zinc/94/60/72/383946072.db2.gz KXFHQANAZOSQRW-ZYHUDNBSSA-N 0 3 223.320 0.808 20 0 BCADHN CC[C@H](NC(=O)CNC)c1nccs1 ZINC000070634127 383947953 /nfs/dbraw/zinc/94/79/53/383947953.db2.gz VJMMLTSXPFXEOR-ZETCQYMHSA-N 0 3 213.306 0.930 20 0 BCADHN CC[C@H](O)CN1CCN(C)C[C@@H]1CC ZINC000564881179 383950321 /nfs/dbraw/zinc/95/03/21/383950321.db2.gz OKNHPWPGNWOGNM-QWRGUYRKSA-N 0 3 200.326 0.783 20 0 BCADHN CCN(C)CCNC(=O)c1c[nH]nc1C ZINC000070651015 383952157 /nfs/dbraw/zinc/95/21/57/383952157.db2.gz SYWWRJBGDCBFCZ-UHFFFAOYSA-N 0 3 210.281 0.400 20 0 BCADHN CCCN(CC(N)=O)C[C@H]1CCCC[C@@H]1O ZINC000569367749 383952381 /nfs/dbraw/zinc/95/23/81/383952381.db2.gz NDMDPKSSCFRBTE-MNOVXSKESA-N 0 3 228.336 0.735 20 0 BCADHN CC[C@H](NCc1cncnc1OC)[C@@H](C)O ZINC000647215296 384000756 /nfs/dbraw/zinc/00/07/56/384000756.db2.gz OPPYFRQGWRYFHP-SCZZXKLOSA-N 0 3 225.292 0.734 20 0 BCADHN c1ncc(CNCCN2CCCC2)cn1 ZINC000054767069 383958244 /nfs/dbraw/zinc/95/82/44/383958244.db2.gz ONTKFOAQNUNRBJ-UHFFFAOYSA-N 0 3 206.293 0.662 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC(OC)CC1 ZINC000070714201 383958893 /nfs/dbraw/zinc/95/88/93/383958893.db2.gz PAHKTIWWORZFKC-NSHDSACASA-N 0 3 231.292 0.021 20 0 BCADHN CC[C@@H](C(=O)N[C@](C)(CC)CO)N(C)C ZINC000332439047 383964135 /nfs/dbraw/zinc/96/41/35/383964135.db2.gz DNZARHBNYHWSGW-GXSJLCMTSA-N 0 3 216.325 0.604 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H](O)C(F)F ZINC000332440893 383964738 /nfs/dbraw/zinc/96/47/38/383964738.db2.gz DVKPYYOGJGBWRX-SSDOTTSWSA-N 0 3 224.251 0.069 20 0 BCADHN CN(C(=O)C1CCN(C)CC1)[C@@H]1CCOC1 ZINC000336476256 383974271 /nfs/dbraw/zinc/97/42/71/383974271.db2.gz BDMAXQOCDXLGEY-LLVKDONJSA-N 0 3 226.320 0.576 20 0 BCADHN CC[C@@H](N)C(=O)N1CCN(CC2CC2)CC1 ZINC000037816826 384024405 /nfs/dbraw/zinc/02/44/05/384024405.db2.gz BNUQGNRDEBSXHJ-LLVKDONJSA-N 0 3 225.336 0.278 20 0 BCADHN CCC(=O)N[C@H](C)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000648127434 384025430 /nfs/dbraw/zinc/02/54/30/384025430.db2.gz UCHHBXRUKFWCQM-AEJSXWLSSA-N 0 3 241.335 0.110 20 0 BCADHN O[C@@H](CNC[C@H](O)C(F)(F)F)C1CCC1 ZINC000316572786 384007386 /nfs/dbraw/zinc/00/73/86/384007386.db2.gz MDYFHLOCDAESJS-YUMQZZPRSA-N 0 3 227.226 0.660 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@H]1CO[C@H](C)C1 ZINC000647216003 384008764 /nfs/dbraw/zinc/00/87/64/384008764.db2.gz QKDRKHGRXCUSKB-GWOFURMSSA-N 0 3 215.293 0.557 20 0 BCADHN Cc1n[nH]cc1CN[C@@]1(CCO)CCOC1 ZINC000278518629 384012458 /nfs/dbraw/zinc/01/24/58/384012458.db2.gz RKXCQBFYQYUPGH-NSHDSACASA-N 0 3 225.292 0.349 20 0 BCADHN CC(C)C[C@H](N)C(=O)Nc1ccc(=O)n(C)c1 ZINC000037770308 384012758 /nfs/dbraw/zinc/01/27/58/384012758.db2.gz OXBFURRBUGOFLP-JTQLQIEISA-N 0 3 237.303 0.697 20 0 BCADHN CCC[C@@](C)(N)C(=O)Nc1ccc(=O)n(C)c1 ZINC000037770344 384013893 /nfs/dbraw/zinc/01/38/93/384013893.db2.gz YMBUVFSGFPTWBL-GFCCVEGCSA-N 0 3 237.303 0.841 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2C[C@@H]3CCCCN3C2=O)CO1 ZINC000647216610 384015572 /nfs/dbraw/zinc/01/55/72/384015572.db2.gz UOYTYQRFZNDGMO-RHYQMDGZSA-N 0 3 238.331 0.907 20 0 BCADHN F[C@]1(c2nc([C@@H]3CCCN3)no2)CCNC1 ZINC000647156671 384043575 /nfs/dbraw/zinc/04/35/75/384043575.db2.gz KZNDPGDKFOOELL-OIBJUYFYSA-N 0 3 226.255 0.652 20 0 BCADHN C[C@H]1C[C@H](NCCC(C)(C)S(C)(=O)=O)CO1 ZINC000647217828 384047886 /nfs/dbraw/zinc/04/78/86/384047886.db2.gz HXGBLJNICJKTRY-UWVGGRQHSA-N 0 3 249.376 0.967 20 0 BCADHN CC(C)NS(=O)(=O)N1CCN[C@@H](C(C)C)C1 ZINC000647255507 384028989 /nfs/dbraw/zinc/02/89/89/384028989.db2.gz CGONRRRXXKOEQA-SNVBAGLBSA-N 0 3 249.380 0.159 20 0 BCADHN CN1CCC[C@H](CNS(=O)(=O)C2(C)CC2)C1 ZINC000560272621 384030207 /nfs/dbraw/zinc/03/02/07/384030207.db2.gz VLNMWVYBYUJFBJ-SNVBAGLBSA-N 0 3 246.376 0.800 20 0 BCADHN C[C@H](NC[C@@H](O)Cn1cccn1)c1ccccn1 ZINC000037889244 384031904 /nfs/dbraw/zinc/03/19/04/384031904.db2.gz AEFAPAXRLZUYLR-NWDGAFQWSA-N 0 3 246.314 0.990 20 0 BCADHN O=C([N-]c1nnc2ccccn21)[C@H]1CCC[NH2+]1 ZINC000069142556 384032921 /nfs/dbraw/zinc/03/29/21/384032921.db2.gz OOOOPBRAJSNFNH-MRVPVSSYSA-N 0 3 231.259 0.420 20 0 BCADHN Cn1cc(CN2CCCC[C@@H]2CO)cn1 ZINC000049751988 384034135 /nfs/dbraw/zinc/03/41/35/384034135.db2.gz MTPIAEALUPUBCN-LLVKDONJSA-N 0 3 209.293 0.767 20 0 BCADHN C[C@H]1C[C@@H](NCC(=O)NCC2CC2)CO1 ZINC000401810009 384037530 /nfs/dbraw/zinc/03/75/30/384037530.db2.gz DUDPTALIXOWBFC-WCBMZHEXSA-N 0 3 212.293 0.280 20 0 BCADHN CNC(=O)c1ccc(CNCCCO)cc1 ZINC000037927839 384042014 /nfs/dbraw/zinc/04/20/14/384042014.db2.gz QTOMOIBGQRQQMK-UHFFFAOYSA-N 0 3 222.288 0.518 20 0 BCADHN COC[C@H](CO)N[C@H](C)[C@H]1CCCO1 ZINC000308712444 384059563 /nfs/dbraw/zinc/05/95/63/384059563.db2.gz ZNFJFBVXYUJDRB-KXUCPTDWSA-N 0 3 203.282 0.151 20 0 BCADHN CC(C(=O)N(C)CC(C)(C)C)S(C)(=O)=O ZINC000332507125 384062380 /nfs/dbraw/zinc/06/23/80/384062380.db2.gz WAYREMIMTDSSSC-QMMMGPOBSA-N 0 3 235.349 0.924 20 0 BCADHN C[C@H](N[C@@H](CO)c1cnn(C)c1)C1CC1 ZINC000090884821 384067948 /nfs/dbraw/zinc/06/79/48/384067948.db2.gz MRHKUJWOJCPDLK-KWQFWETISA-N 0 3 209.293 0.842 20 0 BCADHN CCS(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000077898192 384071364 /nfs/dbraw/zinc/07/13/64/384071364.db2.gz NRGWTSBNLJFSPZ-VIFPVBQESA-N 0 3 232.349 0.410 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCc2n[nH]cc2C1 ZINC000648150207 384075939 /nfs/dbraw/zinc/07/59/39/384075939.db2.gz WAXOTFDWMBIDFZ-SNVBAGLBSA-N 0 3 234.303 0.292 20 0 BCADHN CC(C)(CCO)NC(=O)CN1CCC(C)(C)C1 ZINC000569473291 384099349 /nfs/dbraw/zinc/09/93/49/384099349.db2.gz QFIKPNRTJDWZAF-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN COC(=O)CCN(C)CCn1cccn1 ZINC000050067790 384105018 /nfs/dbraw/zinc/10/50/18/384105018.db2.gz YOQYCQPBTFLYHZ-UHFFFAOYSA-N 0 3 211.265 0.378 20 0 BCADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CC(C)(C)[NH3+] ZINC000648153565 384110573 /nfs/dbraw/zinc/11/05/73/384110573.db2.gz DYIYYMAHZFPPHX-UHFFFAOYSA-N 0 3 240.263 0.262 20 0 BCADHN CCN(CC)CC(=O)NCC(=O)OC(C)(C)C ZINC000115459173 384112777 /nfs/dbraw/zinc/11/27/77/384112777.db2.gz JLFBRBMQNHRYOE-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN CCC[C@@](C)(N)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000262647552 384114239 /nfs/dbraw/zinc/11/42/39/384114239.db2.gz TURQUDMKGYRBJA-LLVKDONJSA-N 0 3 238.291 0.570 20 0 BCADHN Cc1cncn1CC(=O)N[C@@H]1CCCN(C)C1 ZINC000528437765 384094078 /nfs/dbraw/zinc/09/40/78/384094078.db2.gz ROGPAUOSCWRAAY-LLVKDONJSA-N 0 3 236.319 0.402 20 0 BCADHN C[C@H](NC[C@@H]1CN(C)CCO1)c1cnn(C)c1 ZINC000091666990 384135577 /nfs/dbraw/zinc/13/55/77/384135577.db2.gz WNRKBJRFHDQBNS-CMPLNLGQSA-N 0 3 238.335 0.401 20 0 BCADHN NS(=O)(=O)C1CCN(C2CCCC2)CC1 ZINC000336553767 384124577 /nfs/dbraw/zinc/12/45/77/384124577.db2.gz PXSCWHXUUIFJPY-UHFFFAOYSA-N 0 3 232.349 0.682 20 0 BCADHN CCC1(O)CCN([C@H]2CCCNC2=O)CC1 ZINC000336558645 384137542 /nfs/dbraw/zinc/13/75/42/384137542.db2.gz POUHEXVNRKKNNG-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN OC[C@H]1CCN(CCc2cccnc2)C[C@@H]1O ZINC000569499850 384132347 /nfs/dbraw/zinc/13/23/47/384132347.db2.gz NIZSRRZDKFMTHQ-OLZOCXBDSA-N 0 3 236.315 0.299 20 0 BCADHN CCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000074693483 384132576 /nfs/dbraw/zinc/13/25/76/384132576.db2.gz WDUZDOCKPSIFKS-UHFFFAOYSA-N 0 3 225.336 0.246 20 0 BCADHN COC(=O)CCCN1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000227751807 134392601 /nfs/dbraw/zinc/39/26/01/134392601.db2.gz RXHOYKPHYZWDTM-NXEZZACHSA-N 0 3 243.303 0.681 20 0 BCADHN CCN(C(=O)[C@H](C(C)C)N(C)C)[C@@H](C)CO ZINC000358789475 384158263 /nfs/dbraw/zinc/15/82/63/384158263.db2.gz PAHCKFNEJKRBAG-QWRGUYRKSA-N 0 3 230.352 0.802 20 0 BCADHN Cn1ccnc1CNC(=O)[C@@H](N)C(C)(C)C ZINC000070854711 384139660 /nfs/dbraw/zinc/13/96/60/384139660.db2.gz UDTMDDYSCJARDV-SECBINFHSA-N 0 3 224.308 0.410 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1nccn1C ZINC000070854713 384139697 /nfs/dbraw/zinc/13/96/97/384139697.db2.gz NBMIYEAWKCJFRS-SCZZXKLOSA-N 0 3 224.308 0.410 20 0 BCADHN CN1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000070905001 384141355 /nfs/dbraw/zinc/14/13/55/384141355.db2.gz KZBRJGRACHBNDT-UHFFFAOYSA-N 0 3 207.277 0.839 20 0 BCADHN CS[C@@H](C)C(=O)N1CCCNCC1 ZINC000237402859 384174336 /nfs/dbraw/zinc/17/43/36/384174336.db2.gz QYUWRZAXTREPHU-QMMMGPOBSA-N 0 3 202.323 0.560 20 0 BCADHN CSC[C@@](C)(O)CNCc1ccnn1C ZINC000080215319 384162319 /nfs/dbraw/zinc/16/23/19/384162319.db2.gz SCJPURHDXGZANR-JTQLQIEISA-N 0 3 229.349 0.624 20 0 BCADHN c1cn(C[C@@H]2CCCN(Cc3cnc[nH]3)C2)nn1 ZINC000092070177 384163173 /nfs/dbraw/zinc/16/31/73/384163173.db2.gz PBYLRWVFXYSEHU-LLVKDONJSA-N 0 3 246.318 0.913 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccc2c(c1)OCO2 ZINC000040854052 384164164 /nfs/dbraw/zinc/16/41/64/384164164.db2.gz ZVXYLZCMQLGLLE-VIFPVBQESA-N 0 3 236.271 0.769 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1nc2cccnc2[nH]1 ZINC000572599537 384165850 /nfs/dbraw/zinc/16/58/50/384165850.db2.gz BBNSMTONBZDQMS-MRVPVSSYSA-N 0 3 233.275 0.880 20 0 BCADHN CCC[C@H](N)C(=O)Nc1nnc(C)s1 ZINC000224058674 384169270 /nfs/dbraw/zinc/16/92/70/384169270.db2.gz WRGPKTVCKPXYHI-LURJTMIESA-N 0 3 214.294 0.912 20 0 BCADHN Cc1ccn2c(c1)nnc2NC(=O)CNC1CC1 ZINC000237868233 487528468 /nfs/dbraw/zinc/52/84/68/487528468.db2.gz SAGOKWSQJIDNJD-UHFFFAOYSA-N 0 3 245.286 0.728 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2NC(=O)C(C)(C)N ZINC000040922381 384171221 /nfs/dbraw/zinc/17/12/21/384171221.db2.gz DTNDGCJTUYFCKR-VIFPVBQESA-N 0 3 236.319 0.651 20 0 BCADHN CC1(C(=O)NC[C@]2(O)CN3CCC2CC3)CC1 ZINC000560505259 384177191 /nfs/dbraw/zinc/17/71/91/384177191.db2.gz JDYNMVWKTLKNHM-ZDUSSCGKSA-N 0 3 238.331 0.359 20 0 BCADHN CS[C@H](C)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237416158 384178844 /nfs/dbraw/zinc/17/88/44/384178844.db2.gz LCGMKVZBILFYRT-HRDYMLBCSA-N 0 3 216.350 0.947 20 0 BCADHN COCCOCCN1CC=C(COC)CC1 ZINC000185857617 134397666 /nfs/dbraw/zinc/39/76/66/134397666.db2.gz NFHLKKUOHUCMSR-UHFFFAOYSA-N 0 3 229.320 0.928 20 0 BCADHN CO[C@H](C(=O)NC1CCN(C)CC1)C1CC1 ZINC000471649211 533043182 /nfs/dbraw/zinc/04/31/82/533043182.db2.gz XQRHTZBKQDQWJB-NSHDSACASA-N 0 3 226.320 0.622 20 0 BCADHN CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000408115371 134396737 /nfs/dbraw/zinc/39/67/37/134396737.db2.gz NAKXXXGUGXDCJB-SNVBAGLBSA-N 0 3 229.324 0.008 20 0 BCADHN C[C@@H]1C[C@H](NCC(=O)NCC(F)(F)F)CO1 ZINC000401870800 384185900 /nfs/dbraw/zinc/18/59/00/384185900.db2.gz BSNPQEZNJXMEJQ-RQJHMYQMSA-N 0 3 240.225 0.432 20 0 BCADHN COC[C@H](O)CNCc1ccc2c[nH]nc2c1 ZINC000117946388 384185912 /nfs/dbraw/zinc/18/59/12/384185912.db2.gz SCEADABMEOYPGK-LLVKDONJSA-N 0 3 235.287 0.660 20 0 BCADHN COC(=O)N1CC(N[C@H](C)[C@H]2CCCO2)C1 ZINC000309623207 384183193 /nfs/dbraw/zinc/18/31/93/384183193.db2.gz FTZNLBVUTLOJOI-PSASIEDQSA-N 0 3 228.292 0.594 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CCOC(C)(C)C1 ZINC000036232572 384183880 /nfs/dbraw/zinc/18/38/80/384183880.db2.gz QQZGHGJXEYGQDL-JTQLQIEISA-N 0 3 228.336 0.997 20 0 BCADHN CCO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643711162 384201848 /nfs/dbraw/zinc/20/18/48/384201848.db2.gz JSCVAOOLDKRDPP-YTWAJWBKSA-N 0 3 240.347 0.996 20 0 BCADHN C[C@@H](N)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000237446605 384202443 /nfs/dbraw/zinc/20/24/43/384202443.db2.gz VTSVXOYJYLPBED-LLVKDONJSA-N 0 3 241.379 0.914 20 0 BCADHN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643711159 384202938 /nfs/dbraw/zinc/20/29/38/384202938.db2.gz JSCVAOOLDKRDPP-LMLFDSFASA-N 0 3 240.347 0.996 20 0 BCADHN CC(C)NC(=O)NC[C@@](C)(O)CN(C)C ZINC000132702653 384203082 /nfs/dbraw/zinc/20/30/82/384203082.db2.gz WHHYUQBPXMAYLL-SNVBAGLBSA-N 0 3 217.313 0.007 20 0 BCADHN CN(CCN1CCOCC1)Cc1ccn(C)c1 ZINC000092974769 384203381 /nfs/dbraw/zinc/20/33/81/384203381.db2.gz OBPYVCRROQEGPC-UHFFFAOYSA-N 0 3 237.347 0.789 20 0 BCADHN CC[C@H]1C(=O)NCCN1Cc1cn[nH]c1C ZINC000093050829 384206334 /nfs/dbraw/zinc/20/63/34/384206334.db2.gz NRXVHTRTHYAEGK-JTQLQIEISA-N 0 3 222.292 0.429 20 0 BCADHN CCCN(C)C(=O)CN1CCCC[C@H](N)C1=O ZINC000643629371 384192406 /nfs/dbraw/zinc/19/24/06/384192406.db2.gz FINCOXMGKIWGRS-JTQLQIEISA-N 0 3 241.335 0.195 20 0 BCADHN C[C@@H]1C[C@H]1CC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000354380337 384197568 /nfs/dbraw/zinc/19/75/68/384197568.db2.gz FGIZVYFCMSXHPH-WOPDTQHZSA-N 0 3 240.347 0.822 20 0 BCADHN O=C(N[C@@H]1CCOC1)[C@@H]1CNCCC1(F)F ZINC000644160462 384230632 /nfs/dbraw/zinc/23/06/32/384230632.db2.gz PZVFVIJTXBOENH-SFYZADRCSA-N 0 3 234.246 0.136 20 0 BCADHN CCN(CCOCCO)C[C@H]1CC[C@@H](C)O1 ZINC000304193493 384233889 /nfs/dbraw/zinc/23/38/89/384233889.db2.gz AYTBGBBICTWMFZ-VXGBXAGGSA-N 0 3 231.336 0.885 20 0 BCADHN COCC[C@H](CO)NCc1scnc1C ZINC000282317559 384233924 /nfs/dbraw/zinc/23/39/24/384233924.db2.gz SSMKCMDQAWDINR-SECBINFHSA-N 0 3 230.333 0.939 20 0 BCADHN CCOC1CC(CCNC(=O)C2(N)CC2)C1 ZINC000644160773 384234176 /nfs/dbraw/zinc/23/41/76/384234176.db2.gz HGDBIBKIGUFCAG-UHFFFAOYSA-N 0 3 226.320 0.799 20 0 BCADHN CCN(CCOCCO)C[C@@H]1CC[C@H](C)O1 ZINC000304193489 384234248 /nfs/dbraw/zinc/23/42/48/384234248.db2.gz AYTBGBBICTWMFZ-RYUDHWBXSA-N 0 3 231.336 0.885 20 0 BCADHN CC(=O)CCN1CCC[C@H](Cn2ccnn2)C1 ZINC000119108399 384236270 /nfs/dbraw/zinc/23/62/70/384236270.db2.gz WKRUVFDIJHZLKU-LBPRGKRZSA-N 0 3 236.319 0.969 20 0 BCADHN O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCC[NH2+]1 ZINC000132540062 384236493 /nfs/dbraw/zinc/23/64/93/384236493.db2.gz AYWDXMDHHNVTGM-BYPYZUCNSA-N 0 3 249.196 0.514 20 0 BCADHN Cc1[nH]ncc1CN1CCNC(=O)C1(C)C ZINC000093084989 384210176 /nfs/dbraw/zinc/21/01/76/384210176.db2.gz AFWFMJLIGXNFPN-UHFFFAOYSA-N 0 3 222.292 0.429 20 0 BCADHN CCN(C)CCNCc1ccc(C(=O)OC)[nH]1 ZINC000093085541 384210460 /nfs/dbraw/zinc/21/04/60/384210460.db2.gz RUDFPGDFCUVROK-UHFFFAOYSA-N 0 3 239.319 0.843 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000158229160 384212552 /nfs/dbraw/zinc/21/25/52/384212552.db2.gz HAEMTRFGMOHFDS-DGCLKSJQSA-N 0 3 248.326 0.804 20 0 BCADHN C[C@@H](N)C(=O)NCC1CCSCC1 ZINC000157564230 384217972 /nfs/dbraw/zinc/21/79/72/384217972.db2.gz AJOUILTZAAZHOQ-SSDOTTSWSA-N 0 3 202.323 0.593 20 0 BCADHN Cc1c(CNC(=O)[C@@H]2NCC2(C)C)cnn1C ZINC000644156300 384218529 /nfs/dbraw/zinc/21/85/29/384218529.db2.gz FUOFPUQEMKVQGD-JTQLQIEISA-N 0 3 236.319 0.343 20 0 BCADHN CN(C)CC1(NCc2nccn2C)CCC1 ZINC000282298160 384218843 /nfs/dbraw/zinc/21/88/43/384218843.db2.gz RPVCFQAPCPWAMD-UHFFFAOYSA-N 0 3 222.336 0.994 20 0 BCADHN Cc1nnsc1C(=O)NCCN(C)C ZINC000082270219 384219457 /nfs/dbraw/zinc/21/94/57/384219457.db2.gz OASSXJPYQOGRRL-UHFFFAOYSA-N 0 3 214.294 0.138 20 0 BCADHN CSCC[C@H](N)C(=O)Nc1cc(C)[nH]n1 ZINC000082247858 384220809 /nfs/dbraw/zinc/22/08/09/384220809.db2.gz AFUDRKZOTPQSKG-ZETCQYMHSA-N 0 3 228.321 0.737 20 0 BCADHN C[C@@H]1C[C@@H](CO)CN(CCc2cnccn2)C1 ZINC000402897361 384222544 /nfs/dbraw/zinc/22/25/44/384222544.db2.gz FNTWIXXXBGILJC-VXGBXAGGSA-N 0 3 235.331 0.969 20 0 BCADHN CC(C)OCCNC(=O)[C@H]1NCC1(C)C ZINC000644158182 384227451 /nfs/dbraw/zinc/22/74/51/384227451.db2.gz OXNZOMUODGMLNO-SECBINFHSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@@H]1C[C@@H](CNC(=O)[C@@H]2NCC2(C)C)CCO1 ZINC000644157618 384229087 /nfs/dbraw/zinc/22/90/87/384229087.db2.gz CFZZBBFAELAFLO-VWYCJHECSA-N 0 3 240.347 0.916 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCOC[C@@H]1C1CC1 ZINC000644160487 384229726 /nfs/dbraw/zinc/22/97/26/384229726.db2.gz RGNDTGNSUMCZKV-GHMZBOCLSA-N 0 3 238.331 0.622 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000644164722 384244149 /nfs/dbraw/zinc/24/41/49/384244149.db2.gz GDSCRGRYFBKJRF-UTINFBMNSA-N 0 3 208.305 0.899 20 0 BCADHN CC[C@](C)(CN[C@H](CO)COC)OC ZINC000319449814 384251554 /nfs/dbraw/zinc/25/15/54/384251554.db2.gz MYLOBQJTNKVRDV-NXEZZACHSA-N 0 3 205.298 0.398 20 0 BCADHN CN(C)CCN(C)C(=O)c1cncc(F)c1 ZINC000133191971 384277319 /nfs/dbraw/zinc/27/73/19/384277319.db2.gz CENMWXGBXXRANY-UHFFFAOYSA-N 0 3 225.267 0.854 20 0 BCADHN Cc1noc(CCN[C@@H]2CO[C@H](C)C2)n1 ZINC000401908323 384253612 /nfs/dbraw/zinc/25/36/12/384253612.db2.gz JBDUVTYAXFXBTC-APPZFPTMSA-N 0 3 211.265 0.688 20 0 BCADHN Cc1noc(Cn2cc3c(n2)[C@@H](N)CCC3)n1 ZINC000644167926 384255885 /nfs/dbraw/zinc/25/58/85/384255885.db2.gz QVINTLFIVYLJQW-VIFPVBQESA-N 0 3 233.275 0.959 20 0 BCADHN CCN(C)CCNC(=O)[C@H](O)c1ccccc1 ZINC000073644221 384258427 /nfs/dbraw/zinc/25/84/27/384258427.db2.gz YRTWSQFGUIKWOZ-GFCCVEGCSA-N 0 3 236.315 0.788 20 0 BCADHN COC[C@@H](O)CNCc1ccc(OC)cn1 ZINC000569569138 384258520 /nfs/dbraw/zinc/25/85/20/384258520.db2.gz QFJMYYGJVUFXMX-JTQLQIEISA-N 0 3 226.276 0.187 20 0 BCADHN COC[C@@H](CNCc1cncs1)OC ZINC000227705374 384259769 /nfs/dbraw/zinc/25/97/69/384259769.db2.gz CBJKYLXUGPKFCO-MRVPVSSYSA-N 0 3 216.306 0.894 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000119331920 384260207 /nfs/dbraw/zinc/26/02/07/384260207.db2.gz FALNCJSPWVWDGY-ZMLRMANQSA-N 0 3 234.299 0.980 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCC(C1CC1)C1CC1 ZINC000643717069 384260204 /nfs/dbraw/zinc/26/02/04/384260204.db2.gz RVPLWDYMEASTGK-GXSJLCMTSA-N 0 3 208.305 0.886 20 0 BCADHN CC[C@H](CO)NCc1cnc2cnccn12 ZINC000133625667 384261350 /nfs/dbraw/zinc/26/13/50/384261350.db2.gz ANYTXFQUYYPNJB-SECBINFHSA-N 0 3 220.276 0.590 20 0 BCADHN O=C([C@@H]1CCN([C@H]2CCOC2)C1)N1CCCC1 ZINC000336632925 384277797 /nfs/dbraw/zinc/27/77/97/384277797.db2.gz JFEYOBBDOABFCC-NEPJUHHUSA-N 0 3 238.331 0.720 20 0 BCADHN CC[C@@H](CO)N1CCN(Cc2c[nH]cn2)CC1 ZINC000093740003 384265911 /nfs/dbraw/zinc/26/59/11/384265911.db2.gz KOUHIMOHLVBJNK-LBPRGKRZSA-N 0 3 238.335 0.298 20 0 BCADHN CC[C@@H](CO)N1CCN(Cc2cnc[nH]2)CC1 ZINC000093740003 384265916 /nfs/dbraw/zinc/26/59/16/384265916.db2.gz KOUHIMOHLVBJNK-LBPRGKRZSA-N 0 3 238.335 0.298 20 0 BCADHN CC[C@H](NC(=O)[C@H](C)N)c1c(C)nn(C)c1C ZINC000119394698 384267183 /nfs/dbraw/zinc/26/71/83/384267183.db2.gz SMYMEAIZLWQGHM-XVKPBYJWSA-N 0 3 238.335 0.951 20 0 BCADHN c1cc(N[C@H]2CCN(C3CC3)C2)nn2nnnc12 ZINC000109193713 384269681 /nfs/dbraw/zinc/26/96/81/384269681.db2.gz TYIOJIPVXKRNIS-QMMMGPOBSA-N 0 3 245.290 0.168 20 0 BCADHN Cc1cnn(C)c1CN[C@H]1CO[C@H](C)C1 ZINC000335426362 384272402 /nfs/dbraw/zinc/27/24/02/384272402.db2.gz UUNLCLVVWFAYHR-NXEZZACHSA-N 0 3 209.293 0.996 20 0 BCADHN COCC1(CCNC(=O)C(C)(C)N)CC1 ZINC000569577580 384275823 /nfs/dbraw/zinc/27/58/23/384275823.db2.gz RRHVQBHFTNTAQY-UHFFFAOYSA-N 0 3 214.309 0.657 20 0 BCADHN CN(C)CCNC(=O)CCc1cccnc1 ZINC000082270738 384241575 /nfs/dbraw/zinc/24/15/75/384241575.db2.gz ZLMRCJKJUNDAOP-UHFFFAOYSA-N 0 3 221.304 0.692 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000119479259 384276870 /nfs/dbraw/zinc/27/68/70/384276870.db2.gz GJBUMGJCFRPIQS-SCZZXKLOSA-N 0 3 240.328 0.995 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)C1CCSCC1 ZINC000335515125 384305113 /nfs/dbraw/zinc/30/51/13/384305113.db2.gz HJNPBQCLQKGWPU-JTQLQIEISA-N 0 3 244.360 0.234 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1CCO ZINC000187828409 384322271 /nfs/dbraw/zinc/32/22/71/384322271.db2.gz XTKUJLJHDCKWGX-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](NC(=O)NCCN(C)C)c1cnn(C)c1 ZINC000133742258 384311251 /nfs/dbraw/zinc/31/12/51/384311251.db2.gz KSGARYSKIREASM-VIFPVBQESA-N 0 3 239.323 0.342 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCCn1cccn1 ZINC000159236041 384311436 /nfs/dbraw/zinc/31/14/36/384311436.db2.gz RKFLCKDZZMHOKF-SNVBAGLBSA-N 0 3 245.348 0.296 20 0 BCADHN CC1(C)CC[C@H](CN2CC[C@H](CO)[C@H](O)C2)O1 ZINC000560705490 384312503 /nfs/dbraw/zinc/31/25/03/384312503.db2.gz PLPYPJALZZRBMH-IJLUTSLNSA-N 0 3 243.347 0.619 20 0 BCADHN CN(C)CCNC(=O)NCc1ccn(C)c1 ZINC000133812118 384314091 /nfs/dbraw/zinc/31/40/91/384314091.db2.gz JESPGOYRORAEOJ-UHFFFAOYSA-N 0 3 224.308 0.386 20 0 BCADHN CN(CCOCC1CC1)[C@H]1COC[C@H]1O ZINC000308824666 384316139 /nfs/dbraw/zinc/31/61/39/384316139.db2.gz QVZQDWSNOFNHSB-WDEREUQCSA-N 0 3 215.293 0.105 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@H](N)C2CCC2)CC[C@@H]1C ZINC000332489852 384317019 /nfs/dbraw/zinc/31/70/19/384317019.db2.gz XPXPEPJJLWMCGB-MVWJERBFSA-N 0 3 240.347 0.997 20 0 BCADHN C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000569577090 384278994 /nfs/dbraw/zinc/27/89/94/384278994.db2.gz LLQKMCRKMSLFKZ-SFYZADRCSA-N 0 3 247.302 0.814 20 0 BCADHN Cn1cc(CN(CCO)C2CCC2)cn1 ZINC000221178333 384279312 /nfs/dbraw/zinc/27/93/12/384279312.db2.gz BHUPRZBTGWCHSI-UHFFFAOYSA-N 0 3 209.293 0.767 20 0 BCADHN CC(C)[C@H](CCO)NCc1cncnc1 ZINC000164860596 384280237 /nfs/dbraw/zinc/28/02/37/384280237.db2.gz PVVNFIADRHPYBZ-NSHDSACASA-N 0 3 209.293 0.973 20 0 BCADHN CCN(C)CCN[C@@H]1CCn2ccnc21 ZINC000294181696 384282101 /nfs/dbraw/zinc/28/21/01/384282101.db2.gz RXRZOAMYCPZFCY-SNVBAGLBSA-N 0 3 208.309 0.869 20 0 BCADHN Cc1noc(CCNC(=O)CN(C)C(C)C)n1 ZINC000119577639 384286759 /nfs/dbraw/zinc/28/67/59/384286759.db2.gz LBLQTIYCMOBTCC-UHFFFAOYSA-N 0 3 240.307 0.377 20 0 BCADHN C[C@@H]1C[C@H](NCC2(S(C)(=O)=O)CC2)CO1 ZINC000401922953 384293081 /nfs/dbraw/zinc/29/30/81/384293081.db2.gz PDHZHUYQMSSJQJ-BDAKNGLRSA-N 0 3 233.333 0.331 20 0 BCADHN CN(C)c1ncc(CNC(C)(C)CO)n1C ZINC000069717984 384300776 /nfs/dbraw/zinc/30/07/76/384300776.db2.gz DJHJCZUGGXNNSQ-UHFFFAOYSA-N 0 3 226.324 0.347 20 0 BCADHN NC1(C(=O)NCCCOCC2CC2)CC1 ZINC000083834192 384336744 /nfs/dbraw/zinc/33/67/44/384336744.db2.gz OZPXBURLCPXCAV-UHFFFAOYSA-N 0 3 212.293 0.411 20 0 BCADHN Cc1ccc(CNC(=O)C2(N)CC2)cn1 ZINC000083835985 384337026 /nfs/dbraw/zinc/33/70/26/384337026.db2.gz BLMGMSURZFKACO-UHFFFAOYSA-N 0 3 205.261 0.498 20 0 BCADHN C[C@@H]1C[C@@H](NC2COCCOC2)CO1 ZINC000401956081 384337611 /nfs/dbraw/zinc/33/76/11/384337611.db2.gz ZPCIYCNOUDUYDF-RKDXNWHRSA-N 0 3 201.266 0.169 20 0 BCADHN C[C@H]1C[C@@H](NC2COCCOC2)CO1 ZINC000401956079 384338598 /nfs/dbraw/zinc/33/85/98/384338598.db2.gz ZPCIYCNOUDUYDF-DTWKUNHWSA-N 0 3 201.266 0.169 20 0 BCADHN C[C@@H](NCCn1cccn1)c1cnn(C)c1 ZINC000044500334 384338857 /nfs/dbraw/zinc/33/88/57/384338857.db2.gz FOLJXGRDZOPDOT-SNVBAGLBSA-N 0 3 219.292 0.967 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@@H](O)CC[C@@H]1C ZINC000401969474 384340873 /nfs/dbraw/zinc/34/08/73/384340873.db2.gz KBKISSJQASSUGE-SRVKXCTJSA-N 0 3 231.336 0.618 20 0 BCADHN CC(C)C[C@H]1COCCN1C(=O)CN ZINC000083940846 384346424 /nfs/dbraw/zinc/34/64/24/384346424.db2.gz RTEFQKQLDJXIAF-VIFPVBQESA-N 0 3 200.282 0.219 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@H]([C@@H](C)O)C1 ZINC000533473876 384349634 /nfs/dbraw/zinc/34/96/34/384349634.db2.gz FNRHBQYKDRYQBU-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)COC[C@H](O)CN(C)CC[C@@H](C)O ZINC000174792022 384360874 /nfs/dbraw/zinc/36/08/74/384360874.db2.gz VTBGPRAIPTVHRQ-VXGBXAGGSA-N 0 3 233.352 0.723 20 0 BCADHN C[C@H]1OCC[C@@H]1NCC1(S(C)(=O)=O)CC1 ZINC000331528893 384370523 /nfs/dbraw/zinc/37/05/23/384370523.db2.gz SAXPPPLRJBLYAB-BDAKNGLRSA-N 0 3 233.333 0.331 20 0 BCADHN COC[C@H](NC(=O)[C@@H](N)CCSC)C1CC1 ZINC000125386891 384325591 /nfs/dbraw/zinc/32/55/91/384325591.db2.gz HALJEOJWJJRAQS-UWVGGRQHSA-N 0 3 246.376 0.608 20 0 BCADHN CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000068219339 384326776 /nfs/dbraw/zinc/32/67/76/384326776.db2.gz XYVNSNBRFXAWHT-DTWKUNHWSA-N 0 3 241.335 0.110 20 0 BCADHN CCCNC(=O)CN[C@H]1CO[C@H](C)C1 ZINC000401954232 384327645 /nfs/dbraw/zinc/32/76/45/384327645.db2.gz WYSJQJKURYSZLX-RKDXNWHRSA-N 0 3 200.282 0.280 20 0 BCADHN CC(C)[C@@](C)(CO)NC[C@H](O)C(F)(F)F ZINC000308831488 384332546 /nfs/dbraw/zinc/33/25/46/384332546.db2.gz GIHDYSNAAIUICJ-JGVFFNPUSA-N 0 3 229.242 0.906 20 0 BCADHN CCCNC(=O)CN[C@@H](CO)[C@@H](C)CCC ZINC000564578547 384394221 /nfs/dbraw/zinc/39/42/21/384394221.db2.gz WYTGITRCCNOLHN-QWRGUYRKSA-N 0 3 230.352 0.899 20 0 BCADHN CC[C@@H](CO)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000075959284 384394428 /nfs/dbraw/zinc/39/44/28/384394428.db2.gz VSABDCVPWHTXQD-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN C[C@H](NCCCc1ncn(C)n1)c1ccnn1C ZINC000647326538 384396985 /nfs/dbraw/zinc/39/69/85/384396985.db2.gz HDYBFMRDCNVOKA-JTQLQIEISA-N 0 3 248.334 0.832 20 0 BCADHN OCCN(CCO)CCc1c(F)cccc1F ZINC000402013252 384397283 /nfs/dbraw/zinc/39/72/83/384397283.db2.gz CCWXFQUKRCSIMN-UHFFFAOYSA-N 0 3 245.269 0.794 20 0 BCADHN Cc1noc(C)c1CNC[C@@]1(O)CCOC1 ZINC000229638909 384399700 /nfs/dbraw/zinc/39/97/00/384399700.db2.gz OVKOBTJEWZTPRK-NSHDSACASA-N 0 3 226.276 0.532 20 0 BCADHN CC(=O)CCC(=O)N(C)CCCN(C)C ZINC000203576534 384410968 /nfs/dbraw/zinc/41/09/68/384410968.db2.gz NYRBHNCCRJMSDC-UHFFFAOYSA-N 0 3 214.309 0.766 20 0 BCADHN CC(C(=O)N1CCCC1)S(C)(=O)=O ZINC000045857483 384412482 /nfs/dbraw/zinc/41/24/82/384412482.db2.gz WYZLZYKKNDBBLL-ZETCQYMHSA-N 0 3 205.279 0.042 20 0 BCADHN CN(C[C@@H]1CCCO1)C(=O)[C@@H](N)C1CCC1 ZINC000331652752 384415642 /nfs/dbraw/zinc/41/56/42/384415642.db2.gz WWVBXSXEUAPUAU-QWRGUYRKSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@H](O)CN(C[C@H]1CCCCO1)[C@@H](C)CO ZINC000248910181 384416137 /nfs/dbraw/zinc/41/61/37/384416137.db2.gz IUZZCWBRDTYCRE-SDDRHHMPSA-N 0 3 231.336 0.619 20 0 BCADHN CCN(C[C@@H](C)OC)[C@H]1CCCN(C)C1=O ZINC000556509358 384419941 /nfs/dbraw/zinc/41/99/41/384419941.db2.gz QXUVRFXLMKMQNM-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@@H](C(=O)N1CCO[C@@H](CC)C1)N(C)C ZINC000121517895 384422356 /nfs/dbraw/zinc/42/23/56/384422356.db2.gz HAISSVZPTVQMPT-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)NCCO ZINC000448019200 384427329 /nfs/dbraw/zinc/42/73/29/384427329.db2.gz UPIFRLGXYYYZAK-SNVBAGLBSA-N 0 3 243.351 0.398 20 0 BCADHN Cn1nncc1CNCCCN1CCC1 ZINC000521369955 384424680 /nfs/dbraw/zinc/42/46/80/384424680.db2.gz JCNBVIJKDMMAFZ-UHFFFAOYSA-N 0 3 209.297 0.001 20 0 BCADHN C[C@H](NCC(C)(C)C(N)=O)c1cnn(C)c1 ZINC000134820234 384388708 /nfs/dbraw/zinc/38/87/08/384388708.db2.gz UHDNBODIXXGHRA-QMMMGPOBSA-N 0 3 224.308 0.582 20 0 BCADHN Cn1nncc1CNCCc1ccc(O)cc1 ZINC000121982049 384447430 /nfs/dbraw/zinc/44/74/30/384447430.db2.gz FWUIQFXAVQEDMT-UHFFFAOYSA-N 0 3 232.287 0.853 20 0 BCADHN Cc1ccncc1CNC[C@H]1CN(C)CCO1 ZINC000135465546 384448713 /nfs/dbraw/zinc/44/87/13/384448713.db2.gz WOOOSALKUWBTBT-ZDUSSCGKSA-N 0 3 235.331 0.810 20 0 BCADHN CC[C@H](O)CN[C@@H](C)[C@@H](O)C(F)(F)F ZINC000647515135 384449286 /nfs/dbraw/zinc/44/92/86/384449286.db2.gz QZJQPOPPUPPOOE-LYFYHCNISA-N 0 3 215.215 0.659 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccn(C)c(=O)c1 ZINC000262790811 384451773 /nfs/dbraw/zinc/45/17/73/384451773.db2.gz NCUINMAWYNIORV-VHSXEESVSA-N 0 3 249.314 0.208 20 0 BCADHN CCC[C@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000036285264 384452747 /nfs/dbraw/zinc/45/27/47/384452747.db2.gz ZPVKXXLAVIQPQI-UWVGGRQHSA-N 0 3 214.309 0.527 20 0 BCADHN CC(C)N(C)CC(=O)NCc1ccc(=O)[nH]c1 ZINC000135593497 384453875 /nfs/dbraw/zinc/45/38/75/384453875.db2.gz DLQYDVHVHGLNFK-UHFFFAOYSA-N 0 3 237.303 0.744 20 0 BCADHN CC[C@H](NC[C@@H](O)COC)[C@H](O)C(F)(F)F ZINC000565539996 384428214 /nfs/dbraw/zinc/42/82/14/384428214.db2.gz HRUFDSPMZQWDEL-CSMHCCOUSA-N 0 3 245.241 0.285 20 0 BCADHN CCCC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000304230411 384428632 /nfs/dbraw/zinc/42/86/32/384428632.db2.gz NEIPHDKQDAKAPX-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](CNC(=O)NCCCF)N(C)C ZINC000556570673 384430436 /nfs/dbraw/zinc/43/04/36/384430436.db2.gz ULDWROYXXCVJHX-QMMMGPOBSA-N 0 3 205.277 0.595 20 0 BCADHN COC[C@H](C)NCC1(S(C)(=O)=O)CCC1 ZINC000308920487 384437533 /nfs/dbraw/zinc/43/75/33/384437533.db2.gz GXUNYZIWWGFHIY-VIFPVBQESA-N 0 3 235.349 0.578 20 0 BCADHN CC[C@](C)(O)CN1CCCN(C(C)=O)CC1 ZINC000119414460 384438742 /nfs/dbraw/zinc/43/87/42/384438742.db2.gz HJXFMJWVLOUYCL-LBPRGKRZSA-N 0 3 228.336 0.702 20 0 BCADHN COC[C@H](C)CN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000556626480 384438763 /nfs/dbraw/zinc/43/87/63/384438763.db2.gz NYIJZUYECUHEDE-JHJVBQTASA-N 0 3 244.379 0.656 20 0 BCADHN CCc1ncc(C(=O)NCCN(C)C)s1 ZINC000121824498 384442156 /nfs/dbraw/zinc/44/21/56/384442156.db2.gz YKXBGJLSMGYBIN-UHFFFAOYSA-N 0 3 227.333 0.997 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)Cn1cccn1 ZINC000036999227 384466411 /nfs/dbraw/zinc/46/64/11/384466411.db2.gz OWHRYIFTLRBIEO-IUCAKERBSA-N 0 3 210.281 0.125 20 0 BCADHN Cn1nccc1CNC(=O)[C@@]1(C)CCCCN1 ZINC000136169121 384485651 /nfs/dbraw/zinc/48/56/51/384485651.db2.gz DROKNNTYWJPDNF-GFCCVEGCSA-N 0 3 236.319 0.569 20 0 BCADHN C[C@H]1NCCN(C(=O)NC2CCC2)[C@H]1C ZINC000335662820 384471615 /nfs/dbraw/zinc/47/16/15/384471615.db2.gz MACDBXXGSGWDOZ-BDAKNGLRSA-N 0 3 211.309 0.931 20 0 BCADHN O[C@H]1COCCN(CCC[C@H]2CCOC2)C1 ZINC000400563025 384476111 /nfs/dbraw/zinc/47/61/11/384476111.db2.gz SHUXNPWJJYFGIX-NWDGAFQWSA-N 0 3 229.320 0.496 20 0 BCADHN C[C@H](CCO)NCc1cccc(C(N)=O)c1 ZINC000096811459 384479394 /nfs/dbraw/zinc/47/93/94/384479394.db2.gz JSGFGZXKIANGPJ-SECBINFHSA-N 0 3 222.288 0.646 20 0 BCADHN C[C@H](NC[C@@]1(O)CCSC1)c1cnn(C)c1 ZINC000122383822 384480823 /nfs/dbraw/zinc/48/08/23/384480823.db2.gz JBNOUFRINKOVHE-ONGXEEELSA-N 0 3 241.360 0.939 20 0 BCADHN CC[C@H](C)CN(C)C(=O)C1(N)CCOCC1 ZINC000149649744 384481827 /nfs/dbraw/zinc/48/18/27/384481827.db2.gz GBMOEJFNBJYUAE-JTQLQIEISA-N 0 3 228.336 0.999 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cc[nH]c(=O)c2)[C@H]1C ZINC000262800094 384484305 /nfs/dbraw/zinc/48/43/05/384484305.db2.gz OXLCDRUIORAOQD-IUCAKERBSA-N 0 3 235.287 0.610 20 0 BCADHN Cc1n[nH]c(C)c1CNCCOCCO ZINC000036864780 384458571 /nfs/dbraw/zinc/45/85/71/384458571.db2.gz YYFJVMFVJCDBNS-UHFFFAOYSA-N 0 3 213.281 0.125 20 0 BCADHN Cc1n[nH]c(C)c1NC(=O)CNC(C)C ZINC000037385961 384496274 /nfs/dbraw/zinc/49/62/74/384496274.db2.gz NFSUFLGWXBWEPH-UHFFFAOYSA-N 0 3 210.281 0.963 20 0 BCADHN CC(C)COCCCNC(=O)[C@H](C)N ZINC000037468830 384500339 /nfs/dbraw/zinc/50/03/39/384500339.db2.gz GRRBMLHVAPTHFP-VIFPVBQESA-N 0 3 202.298 0.513 20 0 BCADHN NC(C(=O)N[C@H]1CC12CC2)C(F)(F)F ZINC000335030778 384500754 /nfs/dbraw/zinc/50/07/54/384500754.db2.gz RQNCZKULKHRLFN-CRCLSJGQSA-N 0 3 208.183 0.545 20 0 BCADHN NC(C(=O)N[C@@H]1CC12CC2)C(F)(F)F ZINC000335030779 384501261 /nfs/dbraw/zinc/50/12/61/384501261.db2.gz RQNCZKULKHRLFN-RFZPGFLSSA-N 0 3 208.183 0.545 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC000561113532 384502167 /nfs/dbraw/zinc/50/21/67/384502167.db2.gz LHSMJGHCXVKFDH-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000335038644 384508282 /nfs/dbraw/zinc/50/82/82/384508282.db2.gz MTJFMUWAJZRYJN-UWVGGRQHSA-N 0 3 208.305 0.997 20 0 BCADHN CSC[C@H](O)CN1CCCC[C@@]1(C)C(N)=O ZINC000249466901 384508690 /nfs/dbraw/zinc/50/86/90/384508690.db2.gz QQLLECYLCFMSNX-KOLCDFICSA-N 0 3 246.376 0.440 20 0 BCADHN CC(C)COC[C@H](O)CN1CC[C@@H](O)[C@@H](C)C1 ZINC000249530966 384510813 /nfs/dbraw/zinc/51/08/13/384510813.db2.gz AWUOXKQETOGOMR-YNEHKIRRSA-N 0 3 245.363 0.723 20 0 BCADHN CCN1CCC(NC(=O)N2CCOCC2)CC1 ZINC000335703010 384487016 /nfs/dbraw/zinc/48/70/16/384487016.db2.gz AQSFTEVFKQKFJB-UHFFFAOYSA-N 0 3 241.335 0.513 20 0 BCADHN Cc1csc(S(=O)(=O)[N-][C@H]2C[C@@H]([NH3+])C2)c1 ZINC000647272370 384494731 /nfs/dbraw/zinc/49/47/31/384494731.db2.gz MSTIMPFLHZTQIR-OCAPTIKFSA-N 0 3 246.357 0.825 20 0 BCADHN CN(Cc1ccc(F)c(F)c1)C(=O)CN ZINC000037805954 384535675 /nfs/dbraw/zinc/53/56/75/384535675.db2.gz DTKBGIIEHITYOR-UHFFFAOYSA-N 0 3 214.215 0.882 20 0 BCADHN O=S(=O)(NC1CNC1)c1cccc(F)c1 ZINC000085256290 384513436 /nfs/dbraw/zinc/51/34/36/384513436.db2.gz XAKPQWGNYDNLLF-UHFFFAOYSA-N 0 3 230.264 0.076 20 0 BCADHN C[C@H]1C[C@@H](NCC(=O)N2CCOCC2)CS1 ZINC000303566634 384515164 /nfs/dbraw/zinc/51/51/64/384515164.db2.gz XRCAWTDXUXDNDS-VHSXEESVSA-N 0 3 244.360 0.329 20 0 BCADHN COc1ncncc1CNCCN(C)C(C)C ZINC000647178423 384515769 /nfs/dbraw/zinc/51/57/69/384515769.db2.gz RMLIVKHUJBVTDP-UHFFFAOYSA-N 0 3 238.335 0.915 20 0 BCADHN C[C@H]1C[C@H](NCC(=O)N2CCOCC2)CS1 ZINC000303566632 384515786 /nfs/dbraw/zinc/51/57/86/384515786.db2.gz XRCAWTDXUXDNDS-UWVGGRQHSA-N 0 3 244.360 0.329 20 0 BCADHN C[C@H]1CN(CCN2C(=O)CCC2=O)CCCO1 ZINC000170774749 384520941 /nfs/dbraw/zinc/52/09/41/384520941.db2.gz POLZTIBGTFEAJK-JTQLQIEISA-N 0 3 240.303 0.246 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000249819350 384522941 /nfs/dbraw/zinc/52/29/41/384522941.db2.gz MQAREYBZAHXQAV-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CC(C)(C)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000556850937 384523843 /nfs/dbraw/zinc/52/38/43/384523843.db2.gz ONOHJHQMFDHRGE-ZDUSSCGKSA-N 0 3 240.347 0.605 20 0 BCADHN CCOCCNC(=O)CN1CC[C@H](C)[C@@H]1C ZINC000176024397 384526456 /nfs/dbraw/zinc/52/64/56/384526456.db2.gz ADOGDQYGIFCWDQ-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)C[C@H](NC(=O)CN)C(=O)OC(C)C ZINC000236591049 384526945 /nfs/dbraw/zinc/52/69/45/384526945.db2.gz OTGPCTBSCAZMPF-VIFPVBQESA-N 0 3 230.308 0.428 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC[C@](C)(OC)C1 ZINC000300302307 384526861 /nfs/dbraw/zinc/52/68/61/384526861.db2.gz BNTFGSSZTGZXOI-NWDGAFQWSA-N 0 3 245.319 0.411 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000085541622 384531043 /nfs/dbraw/zinc/53/10/43/384531043.db2.gz YVHIZZDRMRHVBZ-AEJSXWLSSA-N 0 3 212.293 0.360 20 0 BCADHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)N1CCC1 ZINC000372810960 384532698 /nfs/dbraw/zinc/53/26/98/384532698.db2.gz YYNNGYKAPGSBDQ-PWSUYJOCSA-N 0 3 224.304 0.376 20 0 BCADHN C[C@@H]1C[C@H](NCCNC(=O)C(C)(C)C)CO1 ZINC000647180138 384533163 /nfs/dbraw/zinc/53/31/63/384533163.db2.gz GXKLPOAOBJMZPQ-ZJUUUORDSA-N 0 3 228.336 0.916 20 0 BCADHN CCN(CC)C(=O)C[C@@H]1CSCCN1 ZINC000085612352 384544416 /nfs/dbraw/zinc/54/44/16/384544416.db2.gz XIFXBOFDGUMUQC-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN O=C(C[C@H]1CNCCO1)N1CCCCC1 ZINC000085618928 384545856 /nfs/dbraw/zinc/54/58/56/384545856.db2.gz HZXSIEUUGQBDMP-JTQLQIEISA-N 0 3 212.293 0.377 20 0 BCADHN C[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000085619705 384546326 /nfs/dbraw/zinc/54/63/26/384546326.db2.gz AKJLHEZBFDMYBS-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN CCN(C(=O)C[C@@H]1CNCCO1)C(C)C ZINC000085619068 384546565 /nfs/dbraw/zinc/54/65/65/384546565.db2.gz XMLLSJLMJSIGJM-SNVBAGLBSA-N 0 3 214.309 0.622 20 0 BCADHN COCCCNC(=O)C[C@H]1CSCCN1 ZINC000085612835 384547128 /nfs/dbraw/zinc/54/71/28/384547128.db2.gz QWWIZCPNLHZYMW-VIFPVBQESA-N 0 3 232.349 0.234 20 0 BCADHN CCN(C(=O)C[C@H]1CNCCO1)C1CC1 ZINC000085619059 384547199 /nfs/dbraw/zinc/54/71/99/384547199.db2.gz LSPBGULHMPYSBP-JTQLQIEISA-N 0 3 212.293 0.376 20 0 BCADHN O=C(C[C@H]1CSCCN1)Nc1nncs1 ZINC000085612793 384548509 /nfs/dbraw/zinc/54/85/09/384548509.db2.gz XBQBHRSUBURQHK-LURJTMIESA-N 0 3 244.345 0.572 20 0 BCADHN CCCCNC(=O)C[C@@H]1CSCCN1 ZINC000085612595 384548523 /nfs/dbraw/zinc/54/85/23/384548523.db2.gz CDAGEDCEDUNXNG-SECBINFHSA-N 0 3 216.350 0.998 20 0 BCADHN CC(C)N(C)C(=O)C[C@@H]1CSCCN1 ZINC000085612648 384548553 /nfs/dbraw/zinc/54/85/53/384548553.db2.gz BESULRGXCWZDQQ-SECBINFHSA-N 0 3 216.350 0.948 20 0 BCADHN CCOCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000171109414 384550236 /nfs/dbraw/zinc/55/02/36/384550236.db2.gz CJRPIRYPIFPQDU-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN CN(C)CCNC(=O)CCc1ccccn1 ZINC000049680029 384555883 /nfs/dbraw/zinc/55/58/83/384555883.db2.gz LBPJETGUQQGYCC-UHFFFAOYSA-N 0 3 221.304 0.692 20 0 BCADHN C[C@@H](CNCC1(CO)CCC1)S(C)(=O)=O ZINC000647523544 384555940 /nfs/dbraw/zinc/55/59/40/384555940.db2.gz UIUKPZBDQOJYMG-VIFPVBQESA-N 0 3 235.349 0.172 20 0 BCADHN CCCCNC(=O)CN[C@@](C)(CO)C(C)C ZINC000309714296 384556662 /nfs/dbraw/zinc/55/66/62/384556662.db2.gz SCECBDSPUACYCH-LBPRGKRZSA-N 0 3 230.352 0.899 20 0 BCADHN CSCCCN(C)CC(C)(CO)CO ZINC000300764535 384540271 /nfs/dbraw/zinc/54/02/71/384540271.db2.gz PKNPMHXIONCNNT-UHFFFAOYSA-N 0 3 221.366 0.662 20 0 BCADHN CC[C@@H](C(=O)NCc1ccn(C)c1)N(C)C ZINC000123184047 384540379 /nfs/dbraw/zinc/54/03/79/384540379.db2.gz ATHBPGGWVCDSAE-NSHDSACASA-N 0 3 223.320 0.982 20 0 BCADHN COC[C@@H](C)NCc1cccc(C(N)=O)c1 ZINC000020042062 384570027 /nfs/dbraw/zinc/57/00/27/384570027.db2.gz RLTAKRVIDGNTDB-SECBINFHSA-N 0 3 222.288 0.910 20 0 BCADHN CC(C)(N)C(=O)NCCCNC(=O)C1CCC1 ZINC000236790281 384571340 /nfs/dbraw/zinc/57/13/40/384571340.db2.gz IAPJMYJIIMGJOR-UHFFFAOYSA-N 0 3 241.335 0.146 20 0 BCADHN CC[C@@H](C)N(C)CC(=O)N1CCOCC1 ZINC000102705233 384572414 /nfs/dbraw/zinc/57/24/14/384572414.db2.gz MMHMYTBOGFPHTF-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CC(C)(N)C(=O)N1CCN(CC(F)F)CC1 ZINC000236773593 384575004 /nfs/dbraw/zinc/57/50/04/384575004.db2.gz XHSUIZRIEHQPOR-UHFFFAOYSA-N 0 3 235.278 0.133 20 0 BCADHN Cc1cnc(C(=O)N2CCN[C@@H](C)[C@H]2C)cn1 ZINC000262823126 384575149 /nfs/dbraw/zinc/57/51/49/384575149.db2.gz SXCFXAUDZBPAOF-VHSXEESVSA-N 0 3 234.303 0.607 20 0 BCADHN COCCN(C)CCNC(=O)NCCC1CC1 ZINC000176443036 384580727 /nfs/dbraw/zinc/58/07/27/384580727.db2.gz RVSQRXVUUBBREA-UHFFFAOYSA-N 0 3 243.351 0.664 20 0 BCADHN COC(=O)[C@H]1CCCN(CCn2cccn2)C1 ZINC000097989686 384582846 /nfs/dbraw/zinc/58/28/46/384582846.db2.gz COUZAKSCOKXPTQ-NSHDSACASA-N 0 3 237.303 0.768 20 0 BCADHN CN(C)CCNC(=O)CCc1ccccc1N ZINC000020187307 384590943 /nfs/dbraw/zinc/59/09/43/384590943.db2.gz PSIQQBXUWYDYIG-UHFFFAOYSA-N 0 3 235.331 0.879 20 0 BCADHN CCC[C@H](C(=O)NCc1noc(C)n1)N(C)C ZINC000162162017 384584093 /nfs/dbraw/zinc/58/40/93/384584093.db2.gz HHFSKELESILCMQ-SECBINFHSA-N 0 3 240.307 0.725 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2CC(=O)N(C)C2)CS1 ZINC000307415282 384588740 /nfs/dbraw/zinc/58/87/40/384588740.db2.gz IMLNFSPUJKGMLU-VGMNWLOBSA-N 0 3 214.334 0.701 20 0 BCADHN C[C@@H]1OCC[C@H]1N[C@@H]1CCN(C2CC2)C1=O ZINC000309737577 384565587 /nfs/dbraw/zinc/56/55/87/384565587.db2.gz CRBJLJJXJKJLCS-JMJZKYOTSA-N 0 3 224.304 0.517 20 0 BCADHN C[C@H](O)CN[C@H](CO)c1ccsc1 ZINC000308280293 384566426 /nfs/dbraw/zinc/56/64/26/384566426.db2.gz WUMLQAHPPKJTBW-IONNQARKSA-N 0 3 201.291 0.752 20 0 BCADHN C[C@H](O)CCCN1CCC[C@@H]2C(=O)NC[C@@H]21 ZINC000309722311 384566455 /nfs/dbraw/zinc/56/64/55/384566455.db2.gz CECGIDLXJVYKQM-DCAQKATOSA-N 0 3 226.320 0.358 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403216810 384605076 /nfs/dbraw/zinc/60/50/76/384605076.db2.gz GYTIDEXVGDXUTG-DDHJBXDOSA-N 0 3 238.331 0.670 20 0 BCADHN C[C@@H](CNCC1(CCO)CCC1)S(C)(=O)=O ZINC000647530420 384607808 /nfs/dbraw/zinc/60/78/08/384607808.db2.gz ICKJZNWQBKDZNW-JTQLQIEISA-N 0 3 249.376 0.562 20 0 BCADHN CC[C@H](O)CNCc1c(C)nn(C)c1C ZINC000086110175 384608409 /nfs/dbraw/zinc/60/84/09/384608409.db2.gz YLWHXHPIBZKFHH-JTQLQIEISA-N 0 3 211.309 0.897 20 0 BCADHN C[C@@H](NCc1ncnn1C)[C@H]1CCCOC1 ZINC000309790947 384611241 /nfs/dbraw/zinc/61/12/41/384611241.db2.gz PEXRQDYDKGGZQN-ZJUUUORDSA-N 0 3 224.308 0.720 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@H]1CSCN1 ZINC000041680232 384632907 /nfs/dbraw/zinc/63/29/07/384632907.db2.gz HAUJXWCNIUWRCK-SNVBAGLBSA-N 0 3 245.392 0.449 20 0 BCADHN C[C@@H](NCc1ncnn1C)[C@@H]1CCCOC1 ZINC000309790943 384611667 /nfs/dbraw/zinc/61/16/67/384611667.db2.gz PEXRQDYDKGGZQN-NXEZZACHSA-N 0 3 224.308 0.720 20 0 BCADHN O=C1NCCCC[C@@H]1NC[C@@H]1CCC=CO1 ZINC000050268289 384611910 /nfs/dbraw/zinc/61/19/10/384611910.db2.gz DWEYTUBANZKWBD-QWRGUYRKSA-N 0 3 224.304 0.937 20 0 BCADHN COc1ncncc1CNC[C@H](C)C[C@H](C)O ZINC000647185572 384615495 /nfs/dbraw/zinc/61/54/95/384615495.db2.gz HVYRTODBSXEZIB-ZJUUUORDSA-N 0 3 239.319 0.982 20 0 BCADHN CCN(CCO)CCNCc1cccc(O)c1 ZINC000184547730 384619665 /nfs/dbraw/zinc/61/96/65/384619665.db2.gz FRBXJBOMGNISOU-UHFFFAOYSA-N 0 3 238.331 0.796 20 0 BCADHN C[C@H](NC[C@@H](O)CN(C)C)c1ccco1 ZINC000037890659 384626716 /nfs/dbraw/zinc/62/67/16/384626716.db2.gz RUCBMYHIAGWWLV-VHSXEESVSA-N 0 3 212.293 0.853 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCC(C)(C)O ZINC000086236125 384628915 /nfs/dbraw/zinc/62/89/15/384628915.db2.gz BMXFAJWQGQHWSU-MRVPVSSYSA-N 0 3 223.338 0.170 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCC(C)(C)O ZINC000086236124 384629815 /nfs/dbraw/zinc/62/98/15/384629815.db2.gz BMXFAJWQGQHWSU-QMMMGPOBSA-N 0 3 223.338 0.170 20 0 BCADHN CCOC(=O)CCN1CCCC[C@@H]1CO ZINC000042207402 384630941 /nfs/dbraw/zinc/63/09/41/384630941.db2.gz SZPCAJJDJDWVAR-SNVBAGLBSA-N 0 3 215.293 0.786 20 0 BCADHN Cc1[nH]ncc1CNCC(F)(F)CO ZINC000183873088 384591846 /nfs/dbraw/zinc/59/18/46/384591846.db2.gz LBJZZFJSTRSMPW-UHFFFAOYSA-N 0 3 205.208 0.435 20 0 BCADHN Cc1cnccc1NC(=O)[C@H](N)CC(F)F ZINC000336653247 384631983 /nfs/dbraw/zinc/63/19/83/384631983.db2.gz JCIUUTFVJBWTQS-SSDOTTSWSA-N 0 3 229.230 0.733 20 0 BCADHN CC(C(=O)N[C@@H]1CC=CCC1)S(C)(=O)=O ZINC000172496693 384598098 /nfs/dbraw/zinc/59/80/98/384598098.db2.gz WWXDMYLIIFXFOG-RKDXNWHRSA-N 0 3 231.317 0.644 20 0 BCADHN NC(=O)C1(NCCN2CCCCC2)CC1 ZINC000183811675 384600107 /nfs/dbraw/zinc/60/01/07/384600107.db2.gz XWXPUBDSJCQWRA-UHFFFAOYSA-N 0 3 211.309 0.080 20 0 BCADHN CCN(C)CCNC(=O)c1c[nH]nc1C1CC1 ZINC000184403932 384600657 /nfs/dbraw/zinc/60/06/57/384600657.db2.gz IJVWMJBCUYNUMS-UHFFFAOYSA-N 0 3 236.319 0.969 20 0 BCADHN Cn1cc(CNC2(CO)CCCC2)cn1 ZINC000053044863 384600931 /nfs/dbraw/zinc/60/09/31/384600931.db2.gz XMLLELVODUYFOK-UHFFFAOYSA-N 0 3 209.293 0.815 20 0 BCADHN Cc1c(CNC[C@H](O)C2CC2)cnn1C ZINC000086552091 384663164 /nfs/dbraw/zinc/66/31/64/384663164.db2.gz SZLKLNBKWODNJZ-NSHDSACASA-N 0 3 209.293 0.589 20 0 BCADHN Cc1ccsc1[C@@H](CO)NCCOCCO ZINC000309842872 384663214 /nfs/dbraw/zinc/66/32/14/384663214.db2.gz FDNHNHKLRMOANP-SNVBAGLBSA-N 0 3 245.344 0.688 20 0 BCADHN Cc1ccsc1[C@H](CO)NCCOCCO ZINC000309842871 384664524 /nfs/dbraw/zinc/66/45/24/384664524.db2.gz FDNHNHKLRMOANP-JTQLQIEISA-N 0 3 245.344 0.688 20 0 BCADHN CC[C@H](COC)NC[C@H]1CCCCS1(=O)=O ZINC000309626742 384666087 /nfs/dbraw/zinc/66/60/87/384666087.db2.gz GBCMFCQPTFVRIT-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)NCCCC(N)=O ZINC000104257316 384668317 /nfs/dbraw/zinc/66/83/17/384668317.db2.gz PVLMQVRGIUXNQS-SNVBAGLBSA-N 0 3 241.335 0.243 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000306733719 384671522 /nfs/dbraw/zinc/67/15/22/384671522.db2.gz NIKJVYJGHJCTPU-XSPKLOCKSA-N 0 3 200.282 0.406 20 0 BCADHN CN(CC(=O)N1CCCC1)C[C@H]1CCOC1 ZINC000047697490 384672381 /nfs/dbraw/zinc/67/23/81/384672381.db2.gz MHDMIWODTGAKNN-LLVKDONJSA-N 0 3 226.320 0.577 20 0 BCADHN Cc1nnc(CN[C@H]2CCC[C@@H]2CCO)[nH]1 ZINC000309861155 384672774 /nfs/dbraw/zinc/67/27/74/384672774.db2.gz MOHDXKGAHPDDPJ-ZJUUUORDSA-N 0 3 224.308 0.754 20 0 BCADHN CCO[C@@H]1C[C@H](NC(=O)CN)C12CCCC2 ZINC000236859057 384672758 /nfs/dbraw/zinc/67/27/58/384672758.db2.gz HMAQRMPYFLCIDS-VHSXEESVSA-N 0 3 226.320 0.799 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CCN(C)C2)on1 ZINC000104189381 384672923 /nfs/dbraw/zinc/67/29/23/384672923.db2.gz OLQNKTGBNXRCBI-VIFPVBQESA-N 0 3 223.276 0.665 20 0 BCADHN Cn1cccc1CN[C@H]1CCCCNC1=O ZINC000050595356 384634684 /nfs/dbraw/zinc/63/46/84/384634684.db2.gz JFZBYKGZTZGLJS-NSHDSACASA-N 0 3 221.304 0.783 20 0 BCADHN COc1ncncc1CNC[C@H]1CCC[C@@H]1O ZINC000647188191 384636587 /nfs/dbraw/zinc/63/65/87/384636587.db2.gz VRTNKUIHSSPRHY-KOLCDFICSA-N 0 3 237.303 0.736 20 0 BCADHN Cn1nncc1CNC(C)(C)C(C)(C)CO ZINC000309610534 384640440 /nfs/dbraw/zinc/64/04/40/384640440.db2.gz ZITMNWMUOXGVPF-UHFFFAOYSA-N 0 3 226.324 0.702 20 0 BCADHN CC(C)COC[C@@H](O)CN[C@H](C)C(=O)N(C)C ZINC000042570519 384641674 /nfs/dbraw/zinc/64/16/74/384641674.db2.gz QCPCZWVNZPSSRV-MNOVXSKESA-N 0 3 246.351 0.086 20 0 BCADHN CC(C)OCCOC[C@H](O)CN(C)C[C@@H](C)O ZINC000172992893 384644559 /nfs/dbraw/zinc/64/45/59/384644559.db2.gz HAOATUHPEXVWON-VXGBXAGGSA-N 0 3 249.351 0.102 20 0 BCADHN CNc1ccc(C(=O)NC[C@H](C)N(C)C)cn1 ZINC000050779911 384647716 /nfs/dbraw/zinc/64/77/16/384647716.db2.gz YGSQPRCKIGHWTF-VIFPVBQESA-N 0 3 236.319 0.803 20 0 BCADHN OCCCCN1CCSC[C@@H]1CO ZINC000308365978 384650935 /nfs/dbraw/zinc/65/09/35/384650935.db2.gz HOBRKYZYJSGSJT-VIFPVBQESA-N 0 3 205.323 0.169 20 0 BCADHN CC[C@H](O)CN1CCSC[C@H]1CO ZINC000308365402 384651714 /nfs/dbraw/zinc/65/17/14/384651714.db2.gz NWZRZURPSDGTKH-BDAKNGLRSA-N 0 3 205.323 0.167 20 0 BCADHN C[C@@H](N)C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000082255878 384653602 /nfs/dbraw/zinc/65/36/02/384653602.db2.gz UAEQNJVTOVIREE-ZCFIWIBFSA-N 0 3 240.332 0.417 20 0 BCADHN CC[C@@H](CO)NCc1cc(C(N)=O)cs1 ZINC000086573575 384662320 /nfs/dbraw/zinc/66/23/20/384662320.db2.gz YZCQYUNOHXJSOJ-QMMMGPOBSA-N 0 3 228.317 0.708 20 0 BCADHN C[C@H](CO)CNCc1cc(C(N)=O)cs1 ZINC000086573769 384662578 /nfs/dbraw/zinc/66/25/78/384662578.db2.gz NUADTLDHNMUQMM-ZETCQYMHSA-N 0 3 228.317 0.565 20 0 BCADHN CCN(C)CCNCc1cnn(C)c1C ZINC000086552068 384662789 /nfs/dbraw/zinc/66/27/89/384662789.db2.gz FUVZGOXCSDUYAE-UHFFFAOYSA-N 0 3 210.325 0.770 20 0 BCADHN COc1cc(C)nc(CNC[C@H](C)O)c1 ZINC000125958898 384723417 /nfs/dbraw/zinc/72/34/17/384723417.db2.gz DMWMJICAJLAWOT-VIFPVBQESA-N 0 3 210.277 0.869 20 0 BCADHN CS(=O)(=O)C[C@H](NC[C@H]1CCCO1)C1CC1 ZINC000309933910 384723545 /nfs/dbraw/zinc/72/35/45/384723545.db2.gz ZDNGNASFHZKPQO-MNOVXSKESA-N 0 3 247.360 0.578 20 0 BCADHN CN(C)[C@H]1CN(C(=O)CC2CCCC2)C[C@@H]1O ZINC000556973119 384724692 /nfs/dbraw/zinc/72/46/92/384724692.db2.gz JSZFUEVIFZMBMH-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN O=C(CCCNCc1cc[nH]n1)NC1CC1 ZINC000082394266 384679502 /nfs/dbraw/zinc/67/95/02/384679502.db2.gz XLCMLAXVWHZLKD-UHFFFAOYSA-N 0 3 222.292 0.558 20 0 BCADHN Cn1ncc2c1CCC[C@H]2N[C@H]1CCC(=O)NC1 ZINC000104339606 384680215 /nfs/dbraw/zinc/68/02/15/384680215.db2.gz VZAVMILBFQLJGL-GXSJLCMTSA-N 0 3 248.330 0.666 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@H]2CCN(C)C2=O)C1(C)C ZINC000300357943 384684210 /nfs/dbraw/zinc/68/42/10/384684210.db2.gz XGKXICTYEAREAP-IVZWLZJFSA-N 0 3 226.320 0.620 20 0 BCADHN CCN(C)CCNC(=O)c1ccc(=O)[nH]c1 ZINC000049938315 384687631 /nfs/dbraw/zinc/68/76/31/384687631.db2.gz PGQFMLGACKPREH-UHFFFAOYSA-N 0 3 223.276 0.056 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H](CO)C1CC1 ZINC000309881876 384688362 /nfs/dbraw/zinc/68/83/62/384688362.db2.gz VUBYRFISRGXUNU-LBPRGKRZSA-N 0 3 223.320 0.837 20 0 BCADHN C[C@@H](CO)NCc1ccc2c(c1)NC(=O)CO2 ZINC000082548361 384690222 /nfs/dbraw/zinc/69/02/22/384690222.db2.gz GIFJCRBQZCTCKR-QMMMGPOBSA-N 0 3 236.271 0.488 20 0 BCADHN CO[C@@H]1CCC[C@H]1NCC(=O)NCC1CC1 ZINC000050373514 384693276 /nfs/dbraw/zinc/69/32/76/384693276.db2.gz LBJLYSDVIAJGML-GHMZBOCLSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@H](NC(=O)CN)c1ccc2c(c1)CCC(=O)N2 ZINC000082611912 384696429 /nfs/dbraw/zinc/69/64/29/384696429.db2.gz XNWKQPMWWSJDBE-QMMMGPOBSA-N 0 3 247.298 0.707 20 0 BCADHN C[C@@H](N[C@H]1CO[C@@H](C)C1)C(=O)N(C)C ZINC000647190290 384697772 /nfs/dbraw/zinc/69/77/72/384697772.db2.gz RQQQJXVAJVKBCN-DJLDLDEBSA-N 0 3 200.282 0.230 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@H](C)SC ZINC000157945180 384700503 /nfs/dbraw/zinc/70/05/03/384700503.db2.gz SNILOKZVUDDMDF-YUMQZZPRSA-N 0 3 236.406 0.935 20 0 BCADHN CCN(C)CCNCc1cn(C)nc1C ZINC000126002535 384727152 /nfs/dbraw/zinc/72/71/52/384727152.db2.gz OXQFCBMSRIYGQB-UHFFFAOYSA-N 0 3 210.325 0.770 20 0 BCADHN Cc1n[nH]cc1CN[C@H]1CCC(=O)N(C)C1 ZINC000082756713 384710409 /nfs/dbraw/zinc/71/04/09/384710409.db2.gz QHLGOUOOEVYOBW-JTQLQIEISA-N 0 3 222.292 0.429 20 0 BCADHN CS[C@@H](CO)[C@H](C)NCc1c(C)cnn1C ZINC000309921026 384714749 /nfs/dbraw/zinc/71/47/49/384714749.db2.gz RZXLTNOHCJAQFA-ONGXEEELSA-N 0 3 243.376 0.931 20 0 BCADHN CS[C@H](CO)[C@@H](C)NCc1c(C)cnn1C ZINC000309921024 384715886 /nfs/dbraw/zinc/71/58/86/384715886.db2.gz RZXLTNOHCJAQFA-MWLCHTKSSA-N 0 3 243.376 0.931 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2csnn2)C1 ZINC000105327713 384774763 /nfs/dbraw/zinc/77/47/63/384774763.db2.gz NDVATIQXDJXVGT-QMMMGPOBSA-N 0 3 240.332 0.704 20 0 BCADHN CC[C@@H](CCO)CNCc1cnn(C)c1 ZINC000087362541 384774960 /nfs/dbraw/zinc/77/49/60/384774960.db2.gz VMSSFDKEKZUOIR-JTQLQIEISA-N 0 3 211.309 0.918 20 0 BCADHN CC[C@H](CCO)CNCc1cncn1C ZINC000087362436 384777051 /nfs/dbraw/zinc/77/70/51/384777051.db2.gz MVXAXFDVXFUSGV-SNVBAGLBSA-N 0 3 211.309 0.918 20 0 BCADHN CCN(C)CCNCc1nccn1CC ZINC000054110527 384729168 /nfs/dbraw/zinc/72/91/68/384729168.db2.gz BYHWKIRDDAWDHA-UHFFFAOYSA-N 0 3 210.325 0.944 20 0 BCADHN Cc1ncccc1CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000643884981 384729612 /nfs/dbraw/zinc/72/96/12/384729612.db2.gz CYRXGYBYGUCYEJ-STQMWFEESA-N 0 3 235.331 0.497 20 0 BCADHN CN(C)CCNC(=O)c1c[nH]c2ncccc12 ZINC000104909923 384736579 /nfs/dbraw/zinc/73/65/79/384736579.db2.gz HZNAVOXSQSKLRZ-UHFFFAOYSA-N 0 3 232.287 0.854 20 0 BCADHN C[C@H](CCS(C)(=O)=O)N[C@@H]1CO[C@H](C)C1 ZINC000647192726 384737759 /nfs/dbraw/zinc/73/77/59/384737759.db2.gz VPHDOMRKKZNQDJ-BBBLOLIVSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@@H]1CN(c2ccnc(C(N)=O)c2)[C@@H](C)CN1C ZINC000408434790 384738990 /nfs/dbraw/zinc/73/89/90/384738990.db2.gz IOBDSUKNVBLYDV-ZJUUUORDSA-N 0 3 248.330 0.709 20 0 BCADHN CCN(C)CCNC(=O)Cc1c(C)n[nH]c1C ZINC000102942465 384739613 /nfs/dbraw/zinc/73/96/13/384739613.db2.gz MULDTTDHXHPBBQ-UHFFFAOYSA-N 0 3 238.335 0.637 20 0 BCADHN Cc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)[nH]n1 ZINC000083118177 384740126 /nfs/dbraw/zinc/74/01/26/384740126.db2.gz PZBZUXNYCOJQSE-IUCAKERBSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)n[nH]1 ZINC000083118177 384740133 /nfs/dbraw/zinc/74/01/33/384740133.db2.gz PZBZUXNYCOJQSE-IUCAKERBSA-N 0 3 222.292 0.541 20 0 BCADHN Nc1cc(CN2CCC[C@@H](CO)C2)ccn1 ZINC000052709493 384742098 /nfs/dbraw/zinc/74/20/98/384742098.db2.gz KRKDUENLGQHTMT-LLVKDONJSA-N 0 3 221.304 0.868 20 0 BCADHN CCOCCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000105108670 384743260 /nfs/dbraw/zinc/74/32/60/384743260.db2.gz ZVYCWLFFLUUXPI-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN COC[C@@](C)(CCO)NCc1cn(C)nc1C ZINC000163104225 384744391 /nfs/dbraw/zinc/74/43/91/384744391.db2.gz FIPJQVVOGXZTTE-GFCCVEGCSA-N 0 3 241.335 0.606 20 0 BCADHN Cc1ccoc1CNC[C@@]1(O)CCOC1 ZINC000126199315 384745354 /nfs/dbraw/zinc/74/53/54/384745354.db2.gz UUQHNWMQAOZPNI-NSHDSACASA-N 0 3 211.261 0.829 20 0 BCADHN Cn1cnnc1CN1CC[C@@H](N2CCCCC2)C1 ZINC000536369863 384750009 /nfs/dbraw/zinc/75/00/09/384750009.db2.gz KUFWYKFXCFWPQO-GFCCVEGCSA-N 0 3 249.362 0.875 20 0 BCADHN C[C@@H](NCCN1C(=O)CNC1=O)c1ccncc1 ZINC000174090669 384753849 /nfs/dbraw/zinc/75/38/49/384753849.db2.gz BLFOSTFVWRBPIH-SECBINFHSA-N 0 3 248.286 0.284 20 0 BCADHN CCOC(=O)COCCN1CCCC1 ZINC000087256294 384757995 /nfs/dbraw/zinc/75/79/95/384757995.db2.gz RHRQRSBFJVJFRT-UHFFFAOYSA-N 0 3 201.266 0.662 20 0 BCADHN CCOc1ccccc1CNC[C@@H](O)CO ZINC000083353961 384761552 /nfs/dbraw/zinc/76/15/52/384761552.db2.gz KPCSMCLGDWOQIL-LLVKDONJSA-N 0 3 225.288 0.528 20 0 BCADHN CC[C@H](NCCC(C)(C)C(=O)OC)C(N)=O ZINC000309996363 384764131 /nfs/dbraw/zinc/76/41/31/384764131.db2.gz CFHKISODEZOTCO-QMMMGPOBSA-N 0 3 230.308 0.429 20 0 BCADHN COc1cc(CNC[C@H](O)CO)cc(OC)c1 ZINC000083369258 384765549 /nfs/dbraw/zinc/76/55/49/384765549.db2.gz SFOPQUZYAOEALZ-JTQLQIEISA-N 0 3 241.287 0.147 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H]2COC[C@H]2O)C1(C)C ZINC000323379444 384769255 /nfs/dbraw/zinc/76/92/55/384769255.db2.gz GSDVXXGGMQWBBM-GWOFURMSSA-N 0 3 229.320 0.539 20 0 BCADHN C[C@H](O)CCCN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000309722313 384770847 /nfs/dbraw/zinc/77/08/47/384770847.db2.gz CECGIDLXJVYKQM-HBNTYKKESA-N 0 3 226.320 0.358 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C)[C@@H]1C ZINC000248325695 384771986 /nfs/dbraw/zinc/77/19/86/384771986.db2.gz BLLRMSCITBZMGO-UTLUCORTSA-N 0 3 241.335 0.951 20 0 BCADHN C[C@@H](N)C(=O)NC(C)(C)c1cnn(C)c1 ZINC000083910685 384772330 /nfs/dbraw/zinc/77/23/30/384772330.db2.gz KYVCCEINWZFNAE-SSDOTTSWSA-N 0 3 210.281 0.119 20 0 BCADHN C[C@@H](NC(=O)CN)c1ccc2c(c1)NC(=O)CO2 ZINC000082613089 384772840 /nfs/dbraw/zinc/77/28/40/384772840.db2.gz ZYXQCGKTJJQNQI-SSDOTTSWSA-N 0 3 249.270 0.153 20 0 BCADHN Cc1ccc2nc(CNC(=O)C(C)(C)N)cn2c1 ZINC000083909204 384815491 /nfs/dbraw/zinc/81/54/91/384815491.db2.gz OQKFUKPSDLGHPS-UHFFFAOYSA-N 0 3 246.314 0.996 20 0 BCADHN NCC(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000083913410 384816484 /nfs/dbraw/zinc/81/64/84/384816484.db2.gz CLKMUUFPKUGCSG-LLVKDONJSA-N 0 3 233.315 0.730 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CNCCC2(F)F)CO1 ZINC000648204694 384837399 /nfs/dbraw/zinc/83/73/99/384837399.db2.gz FWKWWTIZIHGYCC-VGMNWLOBSA-N 0 3 248.273 0.525 20 0 BCADHN CSC[C@H]1CCCN([C@@H](C)C(N)=O)C1 ZINC000308581263 384819785 /nfs/dbraw/zinc/81/97/85/384819785.db2.gz PGGFGCQHYLSANP-IUCAKERBSA-N 0 3 216.350 0.935 20 0 BCADHN C[C@H]1CN(CC2(O)CCCC2)CCN1CCO ZINC000426461761 384819943 /nfs/dbraw/zinc/81/99/43/384819943.db2.gz TYSIMKDYILLQLU-LBPRGKRZSA-N 0 3 242.363 0.290 20 0 BCADHN COC[C@@H](C)N[C@@H](C)C(=O)NCCF ZINC000308579754 384820641 /nfs/dbraw/zinc/82/06/41/384820641.db2.gz GADVDKKXHUSNFE-SFYZADRCSA-N 0 3 206.261 0.085 20 0 BCADHN CC(C)NC(=O)CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000103285938 384827358 /nfs/dbraw/zinc/82/73/58/384827358.db2.gz RUYZVGIPMWUTQJ-VHSXEESVSA-N 0 3 241.335 0.097 20 0 BCADHN CN(C(=O)c1cncc([O-])c1)C1CC[NH+](C)CC1 ZINC000104420863 384828615 /nfs/dbraw/zinc/82/86/15/384828615.db2.gz LOGRAPDFKIGIAW-UHFFFAOYSA-N 0 3 249.314 0.953 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C[C@@H](O)CN(C)C1CC1 ZINC000310088779 384829304 /nfs/dbraw/zinc/82/93/04/384829304.db2.gz IFYOXNPFRYIQDA-MDZLAQPJSA-N 0 3 242.363 0.551 20 0 BCADHN C[C@@H](N)C(=O)N1CC2(C[C@@H]1C)CCOCC2 ZINC000648204024 384835745 /nfs/dbraw/zinc/83/57/45/384835745.db2.gz ORRSYAVBKAKJJY-VHSXEESVSA-N 0 3 226.320 0.751 20 0 BCADHN CCN1CCN(CC[C@@H](C)O)[C@H](C)C1 ZINC000108349277 384781584 /nfs/dbraw/zinc/78/15/84/384781584.db2.gz CAZBZIHBVIEAHE-GHMZBOCLSA-N 0 3 200.326 0.783 20 0 BCADHN COC[C@H](CCO)NCc1cn(C)nc1C ZINC000126254148 384783559 /nfs/dbraw/zinc/78/35/59/384783559.db2.gz DLVDVGPEVSQQIK-NSHDSACASA-N 0 3 227.308 0.216 20 0 BCADHN CS[C@H](CO)[C@@H](C)NCc1cnn(C)c1C ZINC000126253394 384784263 /nfs/dbraw/zinc/78/42/63/384784263.db2.gz ZECMELJIWCZWNE-LDYMZIIASA-N 0 3 243.376 0.931 20 0 BCADHN C[C@H](C(=O)NCCN(C)C)c1cccnc1 ZINC000174418548 384786186 /nfs/dbraw/zinc/78/61/86/384786186.db2.gz FJVUGWHALVWSME-JTQLQIEISA-N 0 3 221.304 0.863 20 0 BCADHN CCN1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000335064451 384787391 /nfs/dbraw/zinc/78/73/91/384787391.db2.gz DIIBCGGPTSQYAJ-LLVKDONJSA-N 0 3 225.336 0.278 20 0 BCADHN CCN(CC)CC(=O)NC[C@@](C)(O)C(C)C ZINC000304387860 384788385 /nfs/dbraw/zinc/78/83/85/384788385.db2.gz LQIXEGHINKFXMR-GFCCVEGCSA-N 0 3 230.352 0.851 20 0 BCADHN Cc1ccc(CNC(CO)CO)c(C)c1 ZINC000083690065 384792209 /nfs/dbraw/zinc/79/22/09/384792209.db2.gz CDFSRVDLXSAIED-UHFFFAOYSA-N 0 3 209.289 0.746 20 0 BCADHN Cc1ccc(CNC(CO)CO)s1 ZINC000083691620 384792852 /nfs/dbraw/zinc/79/28/52/384792852.db2.gz NOHNRFVXPRKSTL-UHFFFAOYSA-N 0 3 201.291 0.499 20 0 BCADHN CN(CCc1ccccn1)C(=O)C1(N)CC1 ZINC000083834019 384800461 /nfs/dbraw/zinc/80/04/61/384800461.db2.gz URCXDZPDLPIHKO-UHFFFAOYSA-N 0 3 219.288 0.574 20 0 BCADHN CC[C@H](N)C(=O)NCCOCC1CCC1 ZINC000648192119 384806666 /nfs/dbraw/zinc/80/66/66/384806666.db2.gz JUCHIEZKHUDXEC-JTQLQIEISA-N 0 3 214.309 0.657 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000220593165 384807138 /nfs/dbraw/zinc/80/71/38/384807138.db2.gz SEJUJIGHLZGLJW-GHMZBOCLSA-N 0 3 225.336 0.420 20 0 BCADHN C[C@@H](N)C(=O)N1CCN(C)c2ccccc2C1 ZINC000083884493 384807322 /nfs/dbraw/zinc/80/73/22/384807322.db2.gz IYRGJOVATTVUHJ-SNVBAGLBSA-N 0 3 233.315 0.812 20 0 BCADHN CC(C)(N)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000083884450 384807642 /nfs/dbraw/zinc/80/76/42/384807642.db2.gz GQEIMULERNOQHC-UHFFFAOYSA-N 0 3 249.270 0.693 20 0 BCADHN C[C@H](N)C(=O)NCC(=O)Nc1cccc(F)c1 ZINC000083884350 384808234 /nfs/dbraw/zinc/80/82/34/384808234.db2.gz FYSPRZVWROQGPE-ZETCQYMHSA-N 0 3 239.250 0.228 20 0 BCADHN C[C@@H](N)C(=O)NCC(=O)N1CCc2ccccc21 ZINC000083884306 384808831 /nfs/dbraw/zinc/80/88/31/384808831.db2.gz DSWVQFRFUUNJOA-SECBINFHSA-N 0 3 247.298 0.039 20 0 BCADHN CCN(C)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644300643 384811455 /nfs/dbraw/zinc/81/14/55/384811455.db2.gz JDKIKOFQCWPHQO-ZJUUUORDSA-N 0 3 211.309 0.694 20 0 BCADHN C[C@@H](N)C(=O)NCCn1cnc2ccccc21 ZINC000083911871 384813820 /nfs/dbraw/zinc/81/38/20/384813820.db2.gz XJTDCVFVFBJPGX-SECBINFHSA-N 0 3 232.287 0.500 20 0 BCADHN CNCC(=O)N1CCC(c2ccnn2C)CC1 ZINC000083911586 384813842 /nfs/dbraw/zinc/81/38/42/384813842.db2.gz OPFJYLPKVFXKCM-UHFFFAOYSA-N 0 3 236.319 0.346 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cnc(N(C)C)s1 ZINC000127464035 384869830 /nfs/dbraw/zinc/86/98/30/384869830.db2.gz LPCFACOOECNIAD-ZETCQYMHSA-N 0 3 242.348 0.563 20 0 BCADHN CCOCC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177104924 384872294 /nfs/dbraw/zinc/87/22/94/384872294.db2.gz IUCSGDXNIFVHKU-VHSXEESVSA-N 0 3 226.320 0.764 20 0 BCADHN CC(C(=O)NCC1(C)CCC1)S(C)(=O)=O ZINC000175126822 384873111 /nfs/dbraw/zinc/87/31/11/384873111.db2.gz CQUNGGOHTCICRM-MRVPVSSYSA-N 0 3 233.333 0.726 20 0 BCADHN CO[C@]1(C)C[C@@H](NC(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643729458 384873550 /nfs/dbraw/zinc/87/35/50/384873550.db2.gz ZIDVZYDRYARHHH-JXVAYASWSA-N 0 3 226.320 0.653 20 0 BCADHN Cc1nc(C)c(CNC(=O)[C@@H]2C[C@@H]2N)o1 ZINC000335480656 384877227 /nfs/dbraw/zinc/87/72/27/384877227.db2.gz RPXDGDMSKLBQDH-SFYZADRCSA-N 0 3 209.249 0.255 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@](CO)(C(C)C)C1 ZINC000339710364 384877373 /nfs/dbraw/zinc/87/73/73/384877373.db2.gz MWNGJUYJDLJJJQ-WCQYABFASA-N 0 3 242.363 0.981 20 0 BCADHN CO[C@H](C)CN1CCC[C@H](N2CCNC2=O)C1 ZINC000374678313 384879309 /nfs/dbraw/zinc/87/93/09/384879309.db2.gz LJLFTDYNPDARBH-MNOVXSKESA-N 0 3 241.335 0.511 20 0 BCADHN CC[C@@](C)(NCCC(=O)OC(C)C)C(N)=O ZINC000177133324 384879292 /nfs/dbraw/zinc/87/92/92/384879292.db2.gz PYOOMQACUAYBCF-LLVKDONJSA-N 0 3 230.308 0.572 20 0 BCADHN CC(C)=CCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000557204696 384879685 /nfs/dbraw/zinc/87/96/85/384879685.db2.gz CUUFPDBITMAMSJ-NSHDSACASA-N 0 3 240.351 0.237 20 0 BCADHN O=C1CCCN1CCN1CCC[C@@H](CO)CC1 ZINC000339754106 384879717 /nfs/dbraw/zinc/87/97/17/384879717.db2.gz QCKZGTXHYOYZRG-GFCCVEGCSA-N 0 3 240.347 0.703 20 0 BCADHN C[C@H](CO)CN1CCC(F)(F)[C@H](CO)C1 ZINC000403903797 384880007 /nfs/dbraw/zinc/88/00/07/384880007.db2.gz LWVVEJOKMDNKES-IUCAKERBSA-N 0 3 223.263 0.564 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@H](CO)CC1 ZINC000339748578 384880287 /nfs/dbraw/zinc/88/02/87/384880287.db2.gz FICKCHYXHNMUFK-LBPRGKRZSA-N 0 3 242.363 0.949 20 0 BCADHN CN(CCN(C)C1CC1)Cc1nccn1C ZINC000186776292 384880622 /nfs/dbraw/zinc/88/06/22/384880622.db2.gz PFJKEBJFHJQISM-UHFFFAOYSA-N 0 3 222.336 0.946 20 0 BCADHN C[C@H](Cn1cncn1)NCc1ccn(C)c1 ZINC000127260794 384880547 /nfs/dbraw/zinc/88/05/47/384880547.db2.gz AWXLUEPPLMDODU-SNVBAGLBSA-N 0 3 219.292 0.795 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000449289379 384881000 /nfs/dbraw/zinc/88/10/00/384881000.db2.gz AEAMVIKNITZXBR-KXUCPTDWSA-N 0 3 226.320 0.763 20 0 BCADHN CCO[C@H]1C[C@H](NC(=O)CN)C12CCCC2 ZINC000236959565 384882355 /nfs/dbraw/zinc/88/23/55/384882355.db2.gz HMAQRMPYFLCIDS-UWVGGRQHSA-N 0 3 226.320 0.799 20 0 BCADHN CN(C)CC(C)(C)NCC(=O)N(C)C ZINC000308637626 384883381 /nfs/dbraw/zinc/88/33/81/384883381.db2.gz RPEURXBSSYVQJT-UHFFFAOYSA-N 0 3 201.314 0.004 20 0 BCADHN CCCCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000642935771 384841476 /nfs/dbraw/zinc/84/14/76/384841476.db2.gz SBJMNPPMTAXVBU-QWRGUYRKSA-N 0 3 243.351 0.493 20 0 BCADHN Cc1noc(CCNC(=O)[C@@H](N)C(C)C)n1 ZINC000225410147 384844622 /nfs/dbraw/zinc/84/46/22/384844622.db2.gz XYJDVAMQQLKYQY-VIFPVBQESA-N 0 3 226.280 0.020 20 0 BCADHN CCOC[C@@H](O)CN1CCC(C)(O)CC1 ZINC000087781514 384846156 /nfs/dbraw/zinc/84/61/56/384846156.db2.gz UQVUPXAVTKWCED-JTQLQIEISA-N 0 3 217.309 0.231 20 0 BCADHN C[C@@H](NC(=O)CO)[C@@H](c1ccccc1)N(C)C ZINC000186497228 384846262 /nfs/dbraw/zinc/84/62/62/384846262.db2.gz YCELOMDNGMEZHD-MFKMUULPSA-N 0 3 236.315 0.786 20 0 BCADHN N[C@H](C(=O)NC[C@@H]1CCCC[C@H]1O)C1CCC1 ZINC000331839022 384849917 /nfs/dbraw/zinc/84/99/17/384849917.db2.gz FZWZJMDHZXDJQV-TUAOUCFPSA-N 0 3 240.347 0.781 20 0 BCADHN CO[C@H](C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177034876 384850264 /nfs/dbraw/zinc/85/02/64/384850264.db2.gz QUUZTTNUHGXCRA-OPRDCNLKSA-N 0 3 226.320 0.763 20 0 BCADHN CN(C)C[C@@H]1CN(C(=O)CN)c2ccccc2O1 ZINC000370781514 384850697 /nfs/dbraw/zinc/85/06/97/384850697.db2.gz ZGDQKLIUTUNTNY-SNVBAGLBSA-N 0 3 249.314 0.301 20 0 BCADHN CCN(C)CCNC(=O)C1CC(C)(O)C1 ZINC000448976175 384852183 /nfs/dbraw/zinc/85/21/83/384852183.db2.gz LKVAKDGUDIFLMO-UHFFFAOYSA-N 0 3 214.309 0.215 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000370781677 384854373 /nfs/dbraw/zinc/85/43/73/384854373.db2.gz QFNAUHXIIDVROI-PWSUYJOCSA-N 0 3 244.310 0.573 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)[C@H]1CC1(C)C ZINC000151879329 384856336 /nfs/dbraw/zinc/85/63/36/384856336.db2.gz BAXMBTBPLGSRNO-SKDRFNHKSA-N 0 3 228.336 0.461 20 0 BCADHN Cn1ccc(CNCC2CCOCC2)n1 ZINC000112344740 384857685 /nfs/dbraw/zinc/85/76/85/384857685.db2.gz NSVDKFUCCANOIJ-UHFFFAOYSA-N 0 3 209.293 0.936 20 0 BCADHN COc1ncncc1CNCCc1nc(C)n[nH]1 ZINC000647198527 384858126 /nfs/dbraw/zinc/85/81/26/384858126.db2.gz KEFQPGDIDGHJMC-UHFFFAOYSA-N 0 3 248.290 0.244 20 0 BCADHN COc1ncncc1CNCCc1n[nH]c(C)n1 ZINC000647198527 384858135 /nfs/dbraw/zinc/85/81/35/384858135.db2.gz KEFQPGDIDGHJMC-UHFFFAOYSA-N 0 3 248.290 0.244 20 0 BCADHN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)CNC)C1 ZINC000236941836 384867918 /nfs/dbraw/zinc/86/79/18/384867918.db2.gz YXEWIYHFLIKPTN-LYGAQUJYSA-N 0 3 246.376 0.402 20 0 BCADHN CN(C)CCN(C)C(=O)Cc1cccc(O)c1 ZINC000107062722 384948964 /nfs/dbraw/zinc/94/89/64/384948964.db2.gz IPWIJKBCJGADRK-UHFFFAOYSA-N 0 3 236.315 0.955 20 0 BCADHN CC[C@@](C)(O)CN1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408045428 384949933 /nfs/dbraw/zinc/94/99/33/384949933.db2.gz ZQOJCRUFIGGCLX-JFGNBEQYSA-N 0 3 241.335 0.245 20 0 BCADHN C[C@H](CN[C@@H]1CCCN(C)C1)S(C)(=O)=O ZINC000644547762 384952142 /nfs/dbraw/zinc/95/21/42/384952142.db2.gz PFNDBQDOZZOCSS-NXEZZACHSA-N 0 3 234.365 0.103 20 0 BCADHN COCC[C@H](CO)N[C@@H](C)c1cnn(C)c1 ZINC000300807765 384954824 /nfs/dbraw/zinc/95/48/24/384954824.db2.gz FLONELINGIOTNF-GXSJLCMTSA-N 0 3 227.308 0.468 20 0 BCADHN CN1CCC[C@H](N2CCC[C@@H](O)CC2)C1=O ZINC000559479331 384955000 /nfs/dbraw/zinc/95/50/00/384955000.db2.gz DURNTCJSHXPASY-MNOVXSKESA-N 0 3 226.320 0.454 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)N)C(=O)N1CCCC[C@@H]1C ZINC000156760190 384960752 /nfs/dbraw/zinc/96/07/52/384960752.db2.gz WPKOCPPOASFCJS-LPEHRKFASA-N 0 3 241.335 0.239 20 0 BCADHN O=C1NCCC[C@@H]1CNC[C@H](O)C(F)(F)F ZINC000644556175 384956965 /nfs/dbraw/zinc/95/69/65/384956965.db2.gz WFSPYIJQDXJTCG-RQJHMYQMSA-N 0 3 240.225 0.025 20 0 BCADHN C[C@@H](O)CN[C@H]1CCN(c2ccccc2)C1=O ZINC000644558218 384957820 /nfs/dbraw/zinc/95/78/20/384957820.db2.gz WSCHORSUPNJLKZ-PWSUYJOCSA-N 0 3 234.299 0.762 20 0 BCADHN CSCC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000368591137 384891326 /nfs/dbraw/zinc/89/13/26/384891326.db2.gz LQICACSNLXWCJA-UWVGGRQHSA-N 0 3 228.361 0.902 20 0 BCADHN CSCC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000368591139 384891653 /nfs/dbraw/zinc/89/16/53/384891653.db2.gz LQICACSNLXWCJA-ZJUUUORDSA-N 0 3 228.361 0.902 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CC[C@H](F)C1 ZINC000308650656 384892927 /nfs/dbraw/zinc/89/29/27/384892927.db2.gz KGHDLKXYIRUYBM-VGMNWLOBSA-N 0 3 223.313 0.900 20 0 BCADHN C[C@H](NCCF)C(C)(C)n1cncn1 ZINC000308646437 384895954 /nfs/dbraw/zinc/89/59/54/384895954.db2.gz HVHALKUPCNDEJN-QMMMGPOBSA-N 0 3 200.261 0.961 20 0 BCADHN CCN(C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000127569920 384898563 /nfs/dbraw/zinc/89/85/63/384898563.db2.gz YKNXIRMQMFLPOJ-JTQLQIEISA-N 0 3 211.309 0.838 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@H](O)C[C@@H]1C ZINC000566161989 384914467 /nfs/dbraw/zinc/91/44/67/384914467.db2.gz UVDTYIHKEDMTJE-QWRGUYRKSA-N 0 3 243.351 0.539 20 0 BCADHN CCOC(=O)N[C@@H]1CCCN(CC[C@@H](C)O)C1 ZINC000497262704 384918887 /nfs/dbraw/zinc/91/88/87/384918887.db2.gz QYHURZMTLGMGMI-GHMZBOCLSA-N 0 3 244.335 0.968 20 0 BCADHN CC[C@@H](C)N(C)C(=O)[C@@]1(F)CCNC1 ZINC000366337907 384921379 /nfs/dbraw/zinc/92/13/79/384921379.db2.gz MLNAYBNQIFAWJE-PSASIEDQSA-N 0 3 202.273 0.945 20 0 BCADHN CNC(=O)NC(=O)CN(C)[C@H](C)C1(C)CC1 ZINC000177228441 384923037 /nfs/dbraw/zinc/92/30/37/384923037.db2.gz LVHDOCVDWUOJKV-MRVPVSSYSA-N 0 3 227.308 0.562 20 0 BCADHN CCN(C)CCNC(=O)/C=C\c1ccnn1C ZINC000255676380 384923677 /nfs/dbraw/zinc/92/36/77/384923677.db2.gz XAGQVTHWMYFDHV-WAYWQWQTSA-N 0 3 236.319 0.501 20 0 BCADHN CS[C@H](C)CNCc1cnnn1C ZINC000128096032 384923711 /nfs/dbraw/zinc/92/37/11/384923711.db2.gz QYGLWVLLEZAICP-SSDOTTSWSA-N 0 3 200.311 0.656 20 0 BCADHN CCNC(=O)c1ccc(CNC[C@H](C)O)cc1 ZINC000644521483 384925740 /nfs/dbraw/zinc/92/57/40/384925740.db2.gz KRDKYBOHRHYGJN-JTQLQIEISA-N 0 3 236.315 0.907 20 0 BCADHN CN(C)c1ncc(NC(=O)CNC2CC2)cn1 ZINC000237109609 384928076 /nfs/dbraw/zinc/92/80/76/384928076.db2.gz GHKIVIUDSFQCLY-UHFFFAOYSA-N 0 3 235.291 0.233 20 0 BCADHN CCCCNC(=O)CN1CC[C@](C)(C(N)=O)C1 ZINC000361570112 384929193 /nfs/dbraw/zinc/92/91/93/384929193.db2.gz AGEZAKYDUWWMQF-LBPRGKRZSA-N 0 3 241.335 0.100 20 0 BCADHN C[C@@H](CNCC[C@H]1CCCO1)S(C)(=O)=O ZINC000644517421 384929456 /nfs/dbraw/zinc/92/94/56/384929456.db2.gz VTZGFUNPFNNIGR-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CCNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000085226761 384930373 /nfs/dbraw/zinc/93/03/73/384930373.db2.gz HGCDFZIAFDTRBM-VHSXEESVSA-N 0 3 213.325 0.988 20 0 BCADHN C[C@H](CNCC[C@H]1CCCO1)S(C)(=O)=O ZINC000644517413 384930453 /nfs/dbraw/zinc/93/04/53/384930453.db2.gz VTZGFUNPFNNIGR-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN CCOc1ncccc1CNC[C@@H](C)O ZINC000644516854 384930799 /nfs/dbraw/zinc/93/07/99/384930799.db2.gz PTHJIULWVLVPEH-SECBINFHSA-N 0 3 210.277 0.951 20 0 BCADHN COCCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000085226700 384930902 /nfs/dbraw/zinc/93/09/02/384930902.db2.gz IRWXNPCESLHRQS-MNOVXSKESA-N 0 3 243.351 0.614 20 0 BCADHN C[C@@H](Cn1cncn1)N[C@@H](C)c1cnn(C)c1 ZINC000164169435 384933225 /nfs/dbraw/zinc/93/32/25/384933225.db2.gz PCDMANXJSULKGI-UWVGGRQHSA-N 0 3 234.307 0.751 20 0 BCADHN C[C@H](Cn1cncn1)N[C@@H](C)c1cnn(C)c1 ZINC000164169523 384933621 /nfs/dbraw/zinc/93/36/21/384933621.db2.gz PCDMANXJSULKGI-ZJUUUORDSA-N 0 3 234.307 0.751 20 0 BCADHN C[C@@H](O)CN[C@@H](c1nccn1C)C1CC1 ZINC000128105472 384935655 /nfs/dbraw/zinc/93/56/55/384935655.db2.gz ZFTSNAYXVHWKLD-PSASIEDQSA-N 0 3 209.293 0.842 20 0 BCADHN C[C@@H](O)CNCC(=O)N1CCCc2ccccc21 ZINC000644527644 384939509 /nfs/dbraw/zinc/93/95/09/384939509.db2.gz CXACAFXELUJWTD-LLVKDONJSA-N 0 3 248.326 0.936 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCCn1ccnc1 ZINC000081899266 384942054 /nfs/dbraw/zinc/94/20/54/384942054.db2.gz WKCYIMMMOBINPU-JTQLQIEISA-N 0 3 245.348 0.296 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(C)(C)O ZINC000259023607 384960363 /nfs/dbraw/zinc/96/03/63/384960363.db2.gz TTWXEJBAXZOWOY-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN CN(C[C@H]1CCCOC1)C(=O)[C@]1(F)CCNC1 ZINC000156738413 384946924 /nfs/dbraw/zinc/94/69/24/384946924.db2.gz UMNXWMQPVXWMRZ-PWSUYJOCSA-N 0 3 244.310 0.573 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000306432967 384948332 /nfs/dbraw/zinc/94/83/32/384948332.db2.gz VHTYVICRJANABX-RYPBNFRJSA-N 0 3 200.257 0.459 20 0 BCADHN CCN(CCNC[C@H](C)S(C)(=O)=O)C1CC1 ZINC000564844209 384966151 /nfs/dbraw/zinc/96/61/51/384966151.db2.gz KJSJRQLVGMDEMO-JTQLQIEISA-N 0 3 248.392 0.493 20 0 BCADHN COCCN[C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000152144436 384966536 /nfs/dbraw/zinc/96/65/36/384966536.db2.gz APTYDOYZQUHBGV-JTQLQIEISA-N 0 3 247.302 0.959 20 0 BCADHN C[C@@H](O)CN[C@H](C)C(=O)N1CCCC[C@H]1C ZINC000644563065 384969255 /nfs/dbraw/zinc/96/92/55/384969255.db2.gz KIKPXQZFZCMZRO-GMTAPVOTSA-N 0 3 228.336 0.746 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1CCCC[C@H]1O)N(C)C ZINC000152152952 384970083 /nfs/dbraw/zinc/97/00/83/384970083.db2.gz ADDZTSJPUIWYMN-QJPTWQEYSA-N 0 3 242.363 0.992 20 0 BCADHN CCSCCN[C@@H]1CCCS(=O)(=O)C1 ZINC000128966268 384970633 /nfs/dbraw/zinc/97/06/33/384970633.db2.gz HTVOCLGRECOFDM-SECBINFHSA-N 0 3 237.390 0.906 20 0 BCADHN Cc1cc(CNCC2(CO)COC2)sn1 ZINC000404323083 384971357 /nfs/dbraw/zinc/97/13/57/384971357.db2.gz KSQZSSKGDOFMLK-UHFFFAOYSA-N 0 3 228.317 0.550 20 0 BCADHN Cc1cc(CNC[C@@H](O)COC(C)C)n[nH]1 ZINC000644565286 384973177 /nfs/dbraw/zinc/97/31/77/384973177.db2.gz QJQWSQOYOAQBQP-LLVKDONJSA-N 0 3 227.308 0.594 20 0 BCADHN Cc1cc(CNC[C@@H](O)COC(C)C)[nH]n1 ZINC000644565286 384973186 /nfs/dbraw/zinc/97/31/86/384973186.db2.gz QJQWSQOYOAQBQP-LLVKDONJSA-N 0 3 227.308 0.594 20 0 BCADHN C[C@H](N)C(=O)N1CCCO[C@H]2CCC[C@H]21 ZINC000370698600 384977203 /nfs/dbraw/zinc/97/72/03/384977203.db2.gz HFRTZSCAUINCGF-AEJSXWLSSA-N 0 3 212.293 0.504 20 0 BCADHN COC[C@](C)(O)CNCc1ccns1 ZINC000404412825 384981964 /nfs/dbraw/zinc/98/19/64/384981964.db2.gz KVOVYYWULCAZAX-SECBINFHSA-N 0 3 216.306 0.630 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)CCC(=O)NC ZINC000226333744 384983719 /nfs/dbraw/zinc/98/37/19/384983719.db2.gz FVWHOVIZYSYAMF-NSHDSACASA-N 0 3 229.324 0.098 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1C[C@]12CCOC2 ZINC000364095317 384984241 /nfs/dbraw/zinc/98/42/41/384984241.db2.gz HWCLYEMFVAFQAJ-PWSUYJOCSA-N 0 3 226.320 0.481 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1CO[C@@H](C)C1 ZINC000647242003 384985854 /nfs/dbraw/zinc/98/58/54/384985854.db2.gz DLFZJURVKVOHLI-AXTSPUMRSA-N 0 3 201.266 0.167 20 0 BCADHN CSC[C@H](O)CN(C)CCn1cccn1 ZINC000187868595 384986409 /nfs/dbraw/zinc/98/64/09/384986409.db2.gz ZCELQDVFKPDVGV-SNVBAGLBSA-N 0 3 229.349 0.539 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1CO[C@H](C)C1 ZINC000647242005 384987358 /nfs/dbraw/zinc/98/73/58/384987358.db2.gz DLFZJURVKVOHLI-UTINFBMNSA-N 0 3 201.266 0.167 20 0 BCADHN C[C@@H]1[C@H](N[C@H]2CCSC2)CCS1(=O)=O ZINC000306467600 384987343 /nfs/dbraw/zinc/98/73/43/384987343.db2.gz MLJZYVURGFDGSV-HRDYMLBCSA-N 0 3 235.374 0.657 20 0 BCADHN CO[C@@]1(CNCc2ccn(C)c2)CCOC1 ZINC000156859213 384993494 /nfs/dbraw/zinc/99/34/94/384993494.db2.gz VQXCNSYGKGFFCD-GFCCVEGCSA-N 0 3 224.304 0.920 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000037033220 384995645 /nfs/dbraw/zinc/99/56/45/384995645.db2.gz GKWWROITCMKGDR-MRVPVSSYSA-N 0 3 235.287 0.674 20 0 BCADHN CC[C@@H](COC)N[C@H]1CC(=O)N(C)C1 ZINC000308702515 384997416 /nfs/dbraw/zinc/99/74/16/384997416.db2.gz VLHYAYFDSLTWAB-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN CN1C[C@H](NCc2ccns2)CCC1=O ZINC000404454724 384998065 /nfs/dbraw/zinc/99/80/65/384998065.db2.gz OKSVEPIEMFBRFM-MRVPVSSYSA-N 0 3 225.317 0.854 20 0 BCADHN CNC(=O)CCNCc1cc(C)ns1 ZINC000404451619 384998338 /nfs/dbraw/zinc/99/83/38/384998338.db2.gz GUTZCJSROORHDH-UHFFFAOYSA-N 0 3 213.306 0.677 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H](C)c1cnn(C)c1 ZINC000129454352 384998426 /nfs/dbraw/zinc/99/84/26/384998426.db2.gz SWGYQPVIXXPOJL-SFYZADRCSA-N 0 3 210.281 0.335 20 0 BCADHN C[C@@H](O)CN[C@H]1CCN(C2CCCCC2)C1=O ZINC000644598922 385002916 /nfs/dbraw/zinc/00/29/16/385002916.db2.gz FQPIYOFUVCNLRV-PWSUYJOCSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@@H](O)CN[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000644600551 385003095 /nfs/dbraw/zinc/00/30/95/385003095.db2.gz OTPKMUKFCKJTDT-GHMZBOCLSA-N 0 3 240.347 0.890 20 0 BCADHN COCC[C@H](CO)NCc1ccns1 ZINC000404457644 385003441 /nfs/dbraw/zinc/00/34/41/385003441.db2.gz LDKAANVOCWTGQG-MRVPVSSYSA-N 0 3 216.306 0.630 20 0 BCADHN C[C@@H](O)CN[C@@H]1CCN(C2CCCCC2)C1=O ZINC000644598923 385003641 /nfs/dbraw/zinc/00/36/41/385003641.db2.gz FQPIYOFUVCNLRV-ZYHUDNBSSA-N 0 3 240.347 0.890 20 0 BCADHN CN(C)C(C)(C)CNCc1cnnn1C ZINC000129685191 385007408 /nfs/dbraw/zinc/00/74/08/385007408.db2.gz JRIKBGXEESXUJM-UHFFFAOYSA-N 0 3 211.313 0.245 20 0 BCADHN CC(C)(CC(N)=O)NCc1ccns1 ZINC000404445502 385007602 /nfs/dbraw/zinc/00/76/02/385007602.db2.gz CATQHBAXIGZTPS-UHFFFAOYSA-N 0 3 213.306 0.887 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1nncn1CC ZINC000226391994 385008085 /nfs/dbraw/zinc/00/80/85/385008085.db2.gz LCHMYSDXVRRAHZ-LLVKDONJSA-N 0 3 239.323 0.432 20 0 BCADHN CCOCC[C@@H](O)CNCc1cc(C)ncn1 ZINC000644609249 385009618 /nfs/dbraw/zinc/00/96/18/385009618.db2.gz ZXNMEIYZDRATAB-GFCCVEGCSA-N 0 3 239.319 0.662 20 0 BCADHN COC(=O)[C@@H]1CCN(CCC(=O)NC(C)C)C1 ZINC000107823952 385009722 /nfs/dbraw/zinc/00/97/22/385009722.db2.gz OJDSZGICPBKZJY-SNVBAGLBSA-N 0 3 242.319 0.396 20 0 BCADHN COC(=O)c1ccc(CNC[C@@H](C)CO)[nH]1 ZINC000086329731 385009789 /nfs/dbraw/zinc/00/97/89/385009789.db2.gz AUJARPYMLRKPLD-MRVPVSSYSA-N 0 3 226.276 0.519 20 0 BCADHN N[C@H](CC(F)F)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000310362305 385011438 /nfs/dbraw/zinc/01/14/38/385011438.db2.gz KQJVESVMJJVROK-HRDYMLBCSA-N 0 3 248.273 0.749 20 0 BCADHN C[C@H](NC(=O)[C@H](N)c1ccccc1)c1nc[nH]n1 ZINC000226408289 385012469 /nfs/dbraw/zinc/01/24/69/385012469.db2.gz NTVMFKIFTBJEOK-WCBMZHEXSA-N 0 3 245.286 0.682 20 0 BCADHN C[C@H](NC(=O)[C@H](N)c1ccccc1)c1nnc[nH]1 ZINC000226408289 385012474 /nfs/dbraw/zinc/01/24/74/385012474.db2.gz NTVMFKIFTBJEOK-WCBMZHEXSA-N 0 3 245.286 0.682 20 0 BCADHN CC[C@@H](NC(=O)CN)c1c(C)noc1C ZINC000518377064 385013229 /nfs/dbraw/zinc/01/32/29/385013229.db2.gz PNRVXUIDUJJFOZ-MRVPVSSYSA-N 0 3 211.265 0.817 20 0 BCADHN C[C@@H](O)[C@H]1CCCCN1CC(=O)N(C)C1CC1 ZINC000303975583 385023137 /nfs/dbraw/zinc/02/31/37/385023137.db2.gz BOZFYGNHWYSTPS-ZYHUDNBSSA-N 0 3 240.347 0.843 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H]1CC(=O)N(C)C1 ZINC000308705078 385016040 /nfs/dbraw/zinc/01/60/40/385016040.db2.gz WNRULRIHRUUEBK-YIZRAAEISA-N 0 3 200.282 0.230 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@@](C)(O)C2CC2)C1 ZINC000557561557 385016666 /nfs/dbraw/zinc/01/66/66/385016666.db2.gz NFKMFLIDDDWVBN-MFKMUULPSA-N 0 3 240.347 0.605 20 0 BCADHN COCCOCCNC(=O)CN1CC[C@@H](C)C1 ZINC000557570536 385016712 /nfs/dbraw/zinc/01/67/12/385016712.db2.gz NROOLPLZNWQWQD-LLVKDONJSA-N 0 3 244.335 0.107 20 0 BCADHN Cc1n[nH]cc1CNC(=O)CN1CC[C@@H](C)C1 ZINC000557561151 385018352 /nfs/dbraw/zinc/01/83/52/385018352.db2.gz FIYKKBRFPULLGV-SECBINFHSA-N 0 3 236.319 0.676 20 0 BCADHN C[C@H](O)CCN1CCC[C@H](OC(=O)N(C)C)C1 ZINC000497135435 385018510 /nfs/dbraw/zinc/01/85/10/385018510.db2.gz XQDHCQJDUVANDE-QWRGUYRKSA-N 0 3 244.335 0.920 20 0 BCADHN Cc1n[nH]cc1CNC(=O)CN1CC[C@H](C)C1 ZINC000557561152 385018948 /nfs/dbraw/zinc/01/89/48/385018948.db2.gz FIYKKBRFPULLGV-VIFPVBQESA-N 0 3 236.319 0.676 20 0 BCADHN CC[C@@H](N)C(=O)NCCn1cnnc1C1CC1 ZINC000518380809 385019321 /nfs/dbraw/zinc/01/93/21/385019321.db2.gz AEJZHXHJQIGTJI-SECBINFHSA-N 0 3 237.307 0.009 20 0 BCADHN CCOc1ccc(CNC(=O)CNC)cc1 ZINC000107287241 384962841 /nfs/dbraw/zinc/96/28/41/384962841.db2.gz ZRDKNLPAVLEJJF-UHFFFAOYSA-N 0 3 222.288 0.921 20 0 BCADHN Cn1cc(CNC[C@@H](O)CO)c(C(C)(C)C)n1 ZINC000127924399 384962844 /nfs/dbraw/zinc/96/28/44/384962844.db2.gz FUAWVKNPEFKTFK-SNVBAGLBSA-N 0 3 241.335 0.160 20 0 BCADHN CCn1cc(CNC[C@H](O)COC(C)C)cn1 ZINC000644645919 385053310 /nfs/dbraw/zinc/05/33/10/385053310.db2.gz NEQBGZBYSCHSEI-LBPRGKRZSA-N 0 3 241.335 0.779 20 0 BCADHN CC[C@@H](O)CN[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000644645549 385053338 /nfs/dbraw/zinc/05/33/38/385053338.db2.gz BVMSUQNGBARNMP-DTWKUNHWSA-N 0 3 235.349 0.313 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@@]3(C)CCCO3)[C@@H]2C1 ZINC000646917980 385057048 /nfs/dbraw/zinc/05/70/48/385057048.db2.gz KUQBMOWEISGUQX-DMDPSCGWSA-N 0 3 238.331 0.718 20 0 BCADHN COc1ncncc1CNCCC[C@H](C)O ZINC000647207345 385058011 /nfs/dbraw/zinc/05/80/11/385058011.db2.gz MBWDVUZRDOOBSU-VIFPVBQESA-N 0 3 225.292 0.736 20 0 BCADHN C[C@H](CO)CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000245744939 385059976 /nfs/dbraw/zinc/05/99/76/385059976.db2.gz FRZRFKAPWZEIGU-BJDJZHNGSA-N 0 3 242.363 0.992 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccn(C)n3)[C@@H]2C1 ZINC000646922864 385060116 /nfs/dbraw/zinc/06/01/16/385060116.db2.gz RAGRDSAYQXKVSD-MWLCHTKSSA-N 0 3 234.303 0.196 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(F)c[nH]2)C1 ZINC000646925566 385060541 /nfs/dbraw/zinc/06/05/41/385060541.db2.gz SIRXFIFBZLQWRL-KWQFWETISA-N 0 3 237.278 0.930 20 0 BCADHN C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[C@H](C)O ZINC000557636183 385061227 /nfs/dbraw/zinc/06/12/27/385061227.db2.gz WRDOFDJXUODUSH-TUAOUCFPSA-N 0 3 242.363 0.851 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cncn2C)C1 ZINC000646925470 385061477 /nfs/dbraw/zinc/06/14/77/385061477.db2.gz QEOMPPOIRHHQNH-ONGXEEELSA-N 0 3 234.303 0.196 20 0 BCADHN COC1(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)CCC1 ZINC000646924092 385061681 /nfs/dbraw/zinc/06/16/81/385061681.db2.gz APXUNPXPFRXNCV-MNOVXSKESA-N 0 3 238.331 0.718 20 0 BCADHN O[C@H](CN[C@H]1CCC[C@H]1F)CN1CCOCC1 ZINC000644655500 385061922 /nfs/dbraw/zinc/06/19/22/385061922.db2.gz JPHONLLMUZQAKW-UTUOFQBUSA-N 0 3 246.326 0.160 20 0 BCADHN COCCOC[C@H](O)CN[C@@H]1CCC[C@@H]1F ZINC000644655660 385062195 /nfs/dbraw/zinc/06/21/95/385062195.db2.gz ZFACNSRKMSZADU-OUAUKWLOSA-N 0 3 235.299 0.491 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3cncn3C)[C@@H]2C1 ZINC000646925466 385062637 /nfs/dbraw/zinc/06/26/37/385062637.db2.gz QEOMPPOIRHHQNH-GXSJLCMTSA-N 0 3 234.303 0.196 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cnn1 ZINC000646913197 385064672 /nfs/dbraw/zinc/06/46/72/385064672.db2.gz ATLAYNBYPLOHOK-ZYHUDNBSSA-N 0 3 246.314 0.561 20 0 BCADHN OCCNCc1ccnn1-c1ccccc1 ZINC000279167973 385064875 /nfs/dbraw/zinc/06/48/75/385064875.db2.gz QJMFFDQQMSZBTL-UHFFFAOYSA-N 0 3 217.272 0.954 20 0 BCADHN C[C@@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC000646914242 385066054 /nfs/dbraw/zinc/06/60/54/385066054.db2.gz STNILQANQWMWJQ-VHSXEESVSA-N 0 3 214.309 0.073 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)C3(C)CC3)[C@@H]2C1 ZINC000646915679 385069341 /nfs/dbraw/zinc/06/93/41/385069341.db2.gz SNERJAHUKBBAHS-VHSXEESVSA-N 0 3 208.305 0.949 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)[nH]n1 ZINC000646915314 385069778 /nfs/dbraw/zinc/06/97/78/385069778.db2.gz OCLSLNIAMBFHJJ-KOLCDFICSA-N 0 3 234.303 0.494 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)n[nH]1 ZINC000646915314 385069784 /nfs/dbraw/zinc/06/97/84/385069784.db2.gz OCLSLNIAMBFHJJ-KOLCDFICSA-N 0 3 234.303 0.494 20 0 BCADHN CN(C)CCN(C)C(=O)NCCn1ccnc1 ZINC000176364809 385071315 /nfs/dbraw/zinc/07/13/15/385071315.db2.gz CGFJNKBHKBIFKE-UHFFFAOYSA-N 0 3 239.323 0.086 20 0 BCADHN COCC1(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)CC1 ZINC000646915748 385071592 /nfs/dbraw/zinc/07/15/92/385071592.db2.gz UJMIZJATWHZERK-GHMZBOCLSA-N 0 3 238.331 0.576 20 0 BCADHN C[C@@H](O)CNCc1cccc(S(C)(=O)=O)c1 ZINC000644660545 385072214 /nfs/dbraw/zinc/07/22/14/385072214.db2.gz RMBIXDXHXTWNIO-SECBINFHSA-N 0 3 243.328 0.561 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000060237264 385072304 /nfs/dbraw/zinc/07/23/04/385072304.db2.gz OWAPSPDGIPKOHR-BDAKNGLRSA-N 0 3 235.287 0.477 20 0 BCADHN CC(C)N1CC[C@@H](N(C)Cc2nnnn2C)C1 ZINC000557646183 385073153 /nfs/dbraw/zinc/07/31/53/385073153.db2.gz PJHWWZFYYPTZGW-SNVBAGLBSA-N 0 3 238.339 0.125 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@H](OC)C1CC1 ZINC000340488477 385073953 /nfs/dbraw/zinc/07/39/53/385073953.db2.gz OPIYIPAIRGGBFZ-KOLCDFICSA-N 0 3 249.376 0.824 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1 ZINC000646930280 385074648 /nfs/dbraw/zinc/07/46/48/385074648.db2.gz BEJHHWJCPQSDHN-WCBMZHEXSA-N 0 3 220.276 0.186 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646933980 385075814 /nfs/dbraw/zinc/07/58/14/385075814.db2.gz LWEGLRBADLXNCY-PWSUYJOCSA-N 0 3 248.330 0.423 20 0 BCADHN CN1C[C@H]2CCN(C(=O)CC(C)(C)O)[C@@H]2C1 ZINC000646933422 385076048 /nfs/dbraw/zinc/07/60/48/385076048.db2.gz CIHUASZSSDQSRB-NXEZZACHSA-N 0 3 226.320 0.310 20 0 BCADHN CC[C@H](C)CN1CC[C@@H](S(N)(=O)=O)C1 ZINC000407947403 385076456 /nfs/dbraw/zinc/07/64/56/385076456.db2.gz JLJDABMZIKOCBE-DTWKUNHWSA-N 0 3 220.338 0.395 20 0 BCADHN COC[C@H](O)CN[C@@H]1C[C@H]1c1ccco1 ZINC000644673031 385079835 /nfs/dbraw/zinc/07/98/35/385079835.db2.gz APQNWEQQJYOXFR-OPRDCNLKSA-N 0 3 211.261 0.732 20 0 BCADHN C[C@H]1C[C@H](NCC2(S(C)(=O)=O)CCC2)CO1 ZINC000647208000 385082326 /nfs/dbraw/zinc/08/23/26/385082326.db2.gz YGUDMYOWHMJIAH-UWVGGRQHSA-N 0 3 247.360 0.721 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC[C@@H](CO)C2)C1 ZINC000646946286 385082367 /nfs/dbraw/zinc/08/23/67/385082367.db2.gz NRSREWJLZSSZNK-GHMZBOCLSA-N 0 3 226.320 0.169 20 0 BCADHN Cc1c(CNCCC(=O)N(C)C)cnn1C ZINC000086551972 385027712 /nfs/dbraw/zinc/02/77/12/385027712.db2.gz NECYWAHCAGLWDC-UHFFFAOYSA-N 0 3 224.308 0.296 20 0 BCADHN C[C@H]1CCCN(CCn2cncn2)[C@@H]1CO ZINC000407948245 385082856 /nfs/dbraw/zinc/08/28/56/385082856.db2.gz IASSKFQOCLYICW-WDEREUQCSA-N 0 3 224.308 0.371 20 0 BCADHN CC[C@H](O)CN[C@H]1C[C@H]2CCCCN2C1=O ZINC000644666541 385083132 /nfs/dbraw/zinc/08/31/32/385083132.db2.gz LAPORNSIEMBHMG-VWYCJHECSA-N 0 3 226.320 0.500 20 0 BCADHN Cn1nncc1CNC[C@]1(C)CCCO1 ZINC000130315885 385035217 /nfs/dbraw/zinc/03/52/17/385035217.db2.gz SLIGGXPQEBMJSW-JTQLQIEISA-N 0 3 210.281 0.474 20 0 BCADHN Cc1ccc(CN[C@@H]2CO[C@H](C)C2)c(=O)n1C ZINC000647206947 385038841 /nfs/dbraw/zinc/03/88/41/385038841.db2.gz NFAFCXSWPLXNJE-PWSUYJOCSA-N 0 3 236.315 0.961 20 0 BCADHN C[C@@H]1C[C@H](NCC2(S(C)(=O)=O)CCC2)CO1 ZINC000647208002 385083331 /nfs/dbraw/zinc/08/33/31/385083331.db2.gz YGUDMYOWHMJIAH-ZJUUUORDSA-N 0 3 247.360 0.721 20 0 BCADHN CO[C@H](C)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000105327968 385042130 /nfs/dbraw/zinc/04/21/30/385042130.db2.gz ICGJPFNXJGEBDG-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN CCOC[C@H](O)CN1CCC([C@@H](C)O)CC1 ZINC000226657724 385042465 /nfs/dbraw/zinc/04/24/65/385042465.db2.gz SGVNUAAGTXZHMS-ZYHUDNBSSA-N 0 3 231.336 0.477 20 0 BCADHN CN(C(=O)C(C)(C)O)C1CCN(C)CC1 ZINC000203188145 385042750 /nfs/dbraw/zinc/04/27/50/385042750.db2.gz MYMTXTKTFKMSJX-UHFFFAOYSA-N 0 3 214.309 0.310 20 0 BCADHN CO[C@@H](C)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000105327962 385042816 /nfs/dbraw/zinc/04/28/16/385042816.db2.gz ICGJPFNXJGEBDG-UWVGGRQHSA-N 0 3 214.309 0.574 20 0 BCADHN CC(C)[C@H](O)CN(C)[C@@H](C)C[S@](C)=O ZINC000340244109 385042947 /nfs/dbraw/zinc/04/29/47/385042947.db2.gz DMPQLPGUWLLNHT-RBZYPMLTSA-N 0 3 221.366 0.702 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000245668518 385045881 /nfs/dbraw/zinc/04/58/81/385045881.db2.gz BQFYALLKBGWIES-MDZLAQPJSA-N 0 3 238.331 0.502 20 0 BCADHN CC[C@H]1CN(C)CCN1C(=O)[C@H]1CCCN1C ZINC000647460183 385046056 /nfs/dbraw/zinc/04/60/56/385046056.db2.gz NEGSZFZLDCYGRJ-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN CCC[C@](C)(N)C(=O)NCC(C)(C)C(=O)NC ZINC000226692049 385046113 /nfs/dbraw/zinc/04/61/13/385046113.db2.gz VULJJHBBUSJFHY-LBPRGKRZSA-N 0 3 243.351 0.392 20 0 BCADHN CCN(CCOCCO)CCOC(C)C ZINC000308783971 385111320 /nfs/dbraw/zinc/11/13/20/385111320.db2.gz DYNISJCGRTUQMY-UHFFFAOYSA-N 0 3 219.325 0.742 20 0 BCADHN COC[C@@H](O)CN1CC[C@H](O)C(C)(C)C1 ZINC000308793943 385116679 /nfs/dbraw/zinc/11/66/79/385116679.db2.gz DSZJVIKLXBJSEB-UWVGGRQHSA-N 0 3 217.309 0.087 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CC3(C2)CCOC3)C1 ZINC000516662625 385118399 /nfs/dbraw/zinc/11/83/99/385118399.db2.gz XHQCZARGIVTJTL-NSHDSACASA-N 0 3 238.331 0.577 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)CCCO)C1 ZINC000516662684 385119304 /nfs/dbraw/zinc/11/93/04/385119304.db2.gz YOPFNXLWNCNCSJ-SNVBAGLBSA-N 0 3 214.309 0.169 20 0 BCADHN CO[C@H](CN)C(=O)N(C)CC1CCCCC1 ZINC000227367460 385123781 /nfs/dbraw/zinc/12/37/81/385123781.db2.gz BJTZCDBJMXLDHV-LLVKDONJSA-N 0 3 228.336 0.999 20 0 BCADHN CO[C@H](CN)C(=O)NC(C)(C)c1nccs1 ZINC000227419272 385142244 /nfs/dbraw/zinc/14/22/44/385142244.db2.gz INXXXCHZEIYNMQ-SSDOTTSWSA-N 0 3 243.332 0.468 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC)C(=O)OC ZINC000237000619 385128726 /nfs/dbraw/zinc/12/87/26/385128726.db2.gz UHEBDEUTSNXOEN-HRDYMLBCSA-N 0 3 230.308 0.428 20 0 BCADHN CO[C@@H](CN)C(=O)NC1CCCCCC1 ZINC000227347617 385130482 /nfs/dbraw/zinc/13/04/82/385130482.db2.gz HZJJGHUENMEDLN-JTQLQIEISA-N 0 3 214.309 0.799 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC[C@H]1c1cccnc1 ZINC000227350581 385131642 /nfs/dbraw/zinc/13/16/42/385131642.db2.gz PUBDCKKMTGHASB-NWDGAFQWSA-N 0 3 249.314 0.719 20 0 BCADHN C[C@@](O)(CN1CC[C@H](O)C1)c1ccccc1 ZINC000061708075 385135314 /nfs/dbraw/zinc/13/53/14/385135314.db2.gz ZMDIPJXYEDSQKR-QWHCGFSZSA-N 0 3 221.300 0.961 20 0 BCADHN CN(C)CC(C)(C)CNc1nccn(C)c1=O ZINC000061748690 385135911 /nfs/dbraw/zinc/13/59/11/385135911.db2.gz UNTBDVKXNWDLQW-UHFFFAOYSA-N 0 3 238.335 0.780 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H](C)c1ncc(C)s1 ZINC000227400983 385139563 /nfs/dbraw/zinc/13/95/63/385139563.db2.gz JLODFDIIWDJFNR-HTQZYQBOSA-N 0 3 243.332 0.602 20 0 BCADHN CCOC[C@H]1CCCN([C@H](C)C(N)=O)C1 ZINC000246265149 385139702 /nfs/dbraw/zinc/13/97/02/385139702.db2.gz ADRDCEWYBRTRDQ-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000227419059 385140115 /nfs/dbraw/zinc/14/01/15/385140115.db2.gz CSQAHOLKTUNMGF-OUAUKWLOSA-N 0 3 228.336 0.903 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2ccc(=O)[nH]c2)[C@H]1C ZINC000262741813 385085561 /nfs/dbraw/zinc/08/55/61/385085561.db2.gz DUBSKJQNVYRGJM-IUCAKERBSA-N 0 3 235.287 0.610 20 0 BCADHN Cc1cc(C(=O)N(C)[C@@H]2CCCN(C)C2)[nH]n1 ZINC000151087832 385085803 /nfs/dbraw/zinc/08/58/03/385085803.db2.gz WXWKHJFEMLXLBZ-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN Cc1cc(C(=O)N(C)[C@@H]2CCCN(C)C2)n[nH]1 ZINC000151087832 385085810 /nfs/dbraw/zinc/08/58/10/385085810.db2.gz WXWKHJFEMLXLBZ-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H]1CC[C@H](O)C1 ZINC000188805663 385089950 /nfs/dbraw/zinc/08/99/50/385089950.db2.gz JZPGLSGGULPURJ-PWSUYJOCSA-N 0 3 223.320 0.979 20 0 BCADHN C[C@H](NC[C@@]1(O)CCOC1)c1cncs1 ZINC000131489902 385089974 /nfs/dbraw/zinc/08/99/74/385089974.db2.gz LTDRTRSRFSKSGO-WPRPVWTQSA-N 0 3 228.317 0.945 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@@H](C(C)C)C1 ZINC000227402687 385140502 /nfs/dbraw/zinc/14/05/02/385140502.db2.gz MYCIMCDESDDKNV-NXEZZACHSA-N 0 3 214.309 0.465 20 0 BCADHN Cc1nn(C)cc1CNC[C@H]1CC[C@@H](O)C1 ZINC000188805728 385091134 /nfs/dbraw/zinc/09/11/34/385091134.db2.gz JZPGLSGGULPURJ-CMPLNLGQSA-N 0 3 223.320 0.979 20 0 BCADHN CN(Cc1cccnc1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188799670 385091866 /nfs/dbraw/zinc/09/18/66/385091866.db2.gz KIOVCLRRIGXCEY-WDEREUQCSA-N 0 3 237.278 0.740 20 0 BCADHN COC(=O)[C@H](C)CN(CCOCCO)C1CC1 ZINC000157171260 385093395 /nfs/dbraw/zinc/09/33/95/385093395.db2.gz QLHQROQEYPUANM-SNVBAGLBSA-N 0 3 245.319 0.269 20 0 BCADHN CCS(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115586193 385094706 /nfs/dbraw/zinc/09/47/06/385094706.db2.gz QIMMZJUDOPERJY-JTQLQIEISA-N 0 3 234.365 0.610 20 0 BCADHN C[C@H](CO[C@H]1CCOC1)NCc1cncn1C ZINC000151243828 385096534 /nfs/dbraw/zinc/09/65/34/385096534.db2.gz DRIJEHBDGKZLAI-PWSUYJOCSA-N 0 3 239.319 0.704 20 0 BCADHN CC[NH+](CC)CC(=O)N[C@@H](C)c1nnc[n-]1 ZINC000176735903 385140960 /nfs/dbraw/zinc/14/09/60/385140960.db2.gz BAEXVQCTQPZJES-QMMMGPOBSA-N 0 3 225.296 0.324 20 0 BCADHN CC[C@@H](C[C@H](C)CO)NCc1cnnn1C ZINC000310037589 385100618 /nfs/dbraw/zinc/10/06/18/385100618.db2.gz VGZRZHTZRLVPNS-UWVGGRQHSA-N 0 3 226.324 0.702 20 0 BCADHN CN(C[C@@H]1CCCOC1)[C@@H]1COC[C@H]1O ZINC000308784816 385103164 /nfs/dbraw/zinc/10/31/64/385103164.db2.gz FIJGFYUIRRPESM-HBNTYKKESA-N 0 3 215.293 0.105 20 0 BCADHN COC1(CCN2CCN(CCO)CC2)CCC1 ZINC000310528667 385104567 /nfs/dbraw/zinc/10/45/67/385104567.db2.gz YPOLVCSHNSCOJH-UHFFFAOYSA-N 0 3 242.363 0.556 20 0 BCADHN CC1(OCC(=O)N2CCc3ccncc32)CNC1 ZINC000648170309 385182780 /nfs/dbraw/zinc/18/27/80/385182780.db2.gz PAAJWSAPWKTCMR-UHFFFAOYSA-N 0 3 247.298 0.349 20 0 BCADHN N[C@H](CC(F)F)C(=O)N1CCc2ccncc21 ZINC000648170293 385183791 /nfs/dbraw/zinc/18/37/91/385183791.db2.gz MDUJHQSNCLCBRS-MRVPVSSYSA-N 0 3 241.241 0.953 20 0 BCADHN CNC(=O)c1ccc(CN2CC[C@H](CO)C2)cc1 ZINC000157453564 385183921 /nfs/dbraw/zinc/18/39/21/385183921.db2.gz FPYINJYGSJAZLA-LBPRGKRZSA-N 0 3 248.326 0.860 20 0 BCADHN Cc1ncc(CN2CC[C@H]3CN(C)C[C@H]32)cn1 ZINC000644728098 385184241 /nfs/dbraw/zinc/18/42/41/385184241.db2.gz ATQLPHHEDDULHU-QWHCGFSZSA-N 0 3 232.331 0.921 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cccc(=O)[nH]1 ZINC000235103836 385186436 /nfs/dbraw/zinc/18/64/36/385186436.db2.gz TXFIDJHOALEKDL-QMMMGPOBSA-N 0 3 223.276 0.055 20 0 BCADHN Cc1cc(C(=O)NC[C@](C)(O)CN(C)C)no1 ZINC000152514683 385187638 /nfs/dbraw/zinc/18/76/38/385187638.db2.gz BOIQYZHBABHRBH-NSHDSACASA-N 0 3 241.291 0.025 20 0 BCADHN CN(CCOCC1CC1)[C@@H]1COC[C@@H]1O ZINC000308824309 385188651 /nfs/dbraw/zinc/18/86/51/385188651.db2.gz QVZQDWSNOFNHSB-MNOVXSKESA-N 0 3 215.293 0.105 20 0 BCADHN NC(=O)C[C@@H]1COCCN1C[C@H]1CC=CCC1 ZINC000449769440 385190268 /nfs/dbraw/zinc/19/02/68/385190268.db2.gz HBYBYBBUEQPSFD-NWDGAFQWSA-N 0 3 238.331 0.919 20 0 BCADHN N[C@@H](CNC(=O)[C@@H]1CCOC1)c1ccccc1 ZINC000062837810 385191633 /nfs/dbraw/zinc/19/16/33/385191633.db2.gz XLBJIFMPNWTRNO-NEPJUHHUSA-N 0 3 234.299 0.839 20 0 BCADHN Cc1ocnc1C(=O)NC[C@](C)(O)CN(C)C ZINC000152549907 385191762 /nfs/dbraw/zinc/19/17/62/385191762.db2.gz VVSVGUIIPIZQJD-NSHDSACASA-N 0 3 241.291 0.025 20 0 BCADHN CC(C)N1CCN(CC[C@@H](C)O)CC1 ZINC000044132879 385193112 /nfs/dbraw/zinc/19/31/12/385193112.db2.gz ORHNUQFDSNEVFX-LLVKDONJSA-N 0 3 200.326 0.783 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644728522 385193647 /nfs/dbraw/zinc/19/36/47/385193647.db2.gz IGVIJTRVDDLULI-MNOVXSKESA-N 0 3 225.336 0.101 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000644728523 385195953 /nfs/dbraw/zinc/19/59/53/385195953.db2.gz IGVIJTRVDDLULI-QWRGUYRKSA-N 0 3 225.336 0.101 20 0 BCADHN CC(C)[C@@](C)(CO)NC[C@@H](O)C(F)(F)F ZINC000308831484 385197344 /nfs/dbraw/zinc/19/73/44/385197344.db2.gz GIHDYSNAAIUICJ-HTQZYQBOSA-N 0 3 229.242 0.906 20 0 BCADHN CN1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647057947 385199746 /nfs/dbraw/zinc/19/97/46/385199746.db2.gz DCIOSQMSNXEZLB-GARJFASQSA-N 0 3 243.326 0.287 20 0 BCADHN C[C@@H](O)CN1CCN(C[C@@H]2CCCCO2)CC1 ZINC000189370923 385149731 /nfs/dbraw/zinc/14/97/31/385149731.db2.gz YCHIVASZKAKNEY-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@H]1CCCN1C(=O)[C@@]1(F)CCNC1 ZINC000157339212 385150554 /nfs/dbraw/zinc/15/05/54/385150554.db2.gz OZGGMDNKNCXHKO-WCBMZHEXSA-N 0 3 200.257 0.699 20 0 BCADHN C[C@@H]1CCN(Cc2ccnc(N)c2)C[C@@H]1O ZINC000230340732 385156253 /nfs/dbraw/zinc/15/62/53/385156253.db2.gz NBLXNMJYCZJIEV-KOLCDFICSA-N 0 3 221.304 0.867 20 0 BCADHN Cc1nocc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000402706070 385159016 /nfs/dbraw/zinc/15/90/16/385159016.db2.gz CORYLGMPVYBKHO-YUMQZZPRSA-N 0 3 223.276 0.805 20 0 BCADHN C[C@@H](O)CN1CCN(Cc2ccncc2)[C@H](C)C1 ZINC000189562578 385164272 /nfs/dbraw/zinc/16/42/72/385164272.db2.gz NIBZLXOTWFOMNN-CHWSQXEVSA-N 0 3 249.358 0.969 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000157404871 385164263 /nfs/dbraw/zinc/16/42/63/385164263.db2.gz ZJHTUDBUBZVFFW-PSASIEDQSA-N 0 3 224.260 0.527 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CC23CC3)[C@@H](C)CN1 ZINC000422633319 385165947 /nfs/dbraw/zinc/16/59/47/385165947.db2.gz OFTFQQYDYAXCBM-KXUCPTDWSA-N 0 3 208.305 0.995 20 0 BCADHN COC1(C)CCN([C@@H]2COC[C@H]2O)CC1 ZINC000308800682 385171216 /nfs/dbraw/zinc/17/12/16/385171216.db2.gz DNICLSKFJWEBMV-NXEZZACHSA-N 0 3 215.293 0.247 20 0 BCADHN O=C1NCCN1CCN[C@@H](CO)c1ccccc1 ZINC000063003077 385201285 /nfs/dbraw/zinc/20/12/85/385201285.db2.gz JMHWVUIBMKWGHQ-LBPRGKRZSA-N 0 3 249.314 0.335 20 0 BCADHN CCc1nnc(CN2CC[C@@H]3CN(C)C[C@H]32)o1 ZINC000644727793 385173510 /nfs/dbraw/zinc/17/35/10/385173510.db2.gz BWDQMBWVSDVXHW-NXEZZACHSA-N 0 3 236.319 0.768 20 0 BCADHN CCc1nnc(CN2CC[C@@H]3CN(C)C[C@@H]32)o1 ZINC000644727799 385173679 /nfs/dbraw/zinc/17/36/79/385173679.db2.gz BWDQMBWVSDVXHW-ZJUUUORDSA-N 0 3 236.319 0.768 20 0 BCADHN CCc1ncc(CN[C@@H]2CCOC2)cn1 ZINC000643802669 385174359 /nfs/dbraw/zinc/17/43/59/385174359.db2.gz IENMXVQICFNLJK-SNVBAGLBSA-N 0 3 207.277 0.918 20 0 BCADHN CC[C@@H](C(N)=O)N(CC)C[C@@H](C)OC ZINC000361574704 385178208 /nfs/dbraw/zinc/17/82/08/385178208.db2.gz ZYIUDGNGXOEABY-BDAKNGLRSA-N 0 3 202.298 0.607 20 0 BCADHN O=C1NCC[C@H]1N1CCCC2(CCOCC2)C1 ZINC000336379376 385207486 /nfs/dbraw/zinc/20/74/86/385207486.db2.gz TZCHFRXTGAUNKA-LLVKDONJSA-N 0 3 238.331 0.768 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCCOC(C)(C)C1 ZINC000370908942 385256024 /nfs/dbraw/zinc/25/60/24/385256024.db2.gz KAYKTOABDILDEU-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN CN(C)CC(=O)N1CCCN(C2CC2)CC1 ZINC000364171678 385210146 /nfs/dbraw/zinc/21/01/46/385210146.db2.gz RXTMOJKJBPHTSI-UHFFFAOYSA-N 0 3 225.336 0.245 20 0 BCADHN c1c[nH]c(CNCCN2CC=CCC2)n1 ZINC000279832808 385210448 /nfs/dbraw/zinc/21/04/48/385210448.db2.gz QJNRXXSZRHMQBW-UHFFFAOYSA-N 0 3 206.293 0.761 20 0 BCADHN CCCCN(C)CCNC(=O)C[C@H](O)CC ZINC000448959726 385215243 /nfs/dbraw/zinc/21/52/43/385215243.db2.gz AAPDGTDDJLLXKU-LLVKDONJSA-N 0 3 230.352 0.996 20 0 BCADHN CC(C)C(=O)NCCN(C)C[C@H]1CCCO1 ZINC000157569249 385215364 /nfs/dbraw/zinc/21/53/64/385215364.db2.gz CJCZORJZEHALKW-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(N(C)C)cn1 ZINC000166017898 385215650 /nfs/dbraw/zinc/21/56/50/385215650.db2.gz BABLLEGZMMYRKP-VIFPVBQESA-N 0 3 222.292 0.823 20 0 BCADHN CC(C)[C@H](N)C(=O)NC1CCSCC1 ZINC000157573028 385216096 /nfs/dbraw/zinc/21/60/96/385216096.db2.gz PYLJRYBFAPSBMM-VIFPVBQESA-N 0 3 216.350 0.982 20 0 BCADHN C[C@H](N[C@H]1CSC[C@@H]1C)C(=O)NC1CC1 ZINC000308852571 385217106 /nfs/dbraw/zinc/21/71/06/385217106.db2.gz NDGYPCIBZLLZMJ-NRPADANISA-N 0 3 228.361 0.995 20 0 BCADHN CC[C@H](C(=O)NC[C@H](C)CO)N(CC)CC ZINC000448261262 385218638 /nfs/dbraw/zinc/21/86/38/385218638.db2.gz DOQNCBKRNLFCHD-WDEREUQCSA-N 0 3 230.352 0.851 20 0 BCADHN C[C@@H](NC(=O)CN)[C@@H](O)Cc1ccccc1 ZINC000521046488 385221594 /nfs/dbraw/zinc/22/15/94/385221594.db2.gz UOFSTYHZKSCYDT-KOLCDFICSA-N 0 3 222.288 0.053 20 0 BCADHN CCOCC(=O)N[C@@H]1CNCCC1(F)F ZINC000647075531 385229431 /nfs/dbraw/zinc/22/94/31/385229431.db2.gz JZHGRXDFLGIFEV-SSDOTTSWSA-N 0 3 222.235 0.136 20 0 BCADHN CCCn1ncnc1CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000644730234 385256978 /nfs/dbraw/zinc/25/69/78/385256978.db2.gz PCWIJOUUQNKSGI-VXGBXAGGSA-N 0 3 249.362 0.824 20 0 BCADHN CCOCCNC(=O)C(N)C(F)(F)F ZINC000336750047 385231405 /nfs/dbraw/zinc/23/14/05/385231405.db2.gz FLXVTOAEZVLTMX-YFKPBYRVSA-N 0 3 214.187 0.029 20 0 BCADHN CCOCCN[C@@H]1CCCS(=O)(=O)C1 ZINC000068939946 385231803 /nfs/dbraw/zinc/23/18/03/385231803.db2.gz GUQJWPGIEHCTLN-SECBINFHSA-N 0 3 221.322 0.190 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccc(Cl)nn1 ZINC000130239054 385231890 /nfs/dbraw/zinc/23/18/90/385231890.db2.gz QEJPQLKVKVLKPE-ZETCQYMHSA-N 0 3 242.710 0.810 20 0 BCADHN CNC(=O)CC(=O)Nc1ccc2c(c1)CNC2 ZINC000647076466 385235387 /nfs/dbraw/zinc/23/53/87/385235387.db2.gz YLXSHWURBKLMNB-UHFFFAOYSA-N 0 3 233.271 0.364 20 0 BCADHN CN1C[C@H]2CCN(CC(=O)NCC3CC3)[C@H]2C1 ZINC000644730316 385257301 /nfs/dbraw/zinc/25/73/01/385257301.db2.gz UYXLSGGEEQMSPS-NEPJUHHUSA-N 0 3 237.347 0.149 20 0 BCADHN CCOC[C@@H](O)CN1CCSCC1 ZINC000068950044 385236751 /nfs/dbraw/zinc/23/67/51/385236751.db2.gz BUHSMJPJBAXEKT-VIFPVBQESA-N 0 3 205.323 0.433 20 0 BCADHN C[C@@H](O)C[C@H]1CCCN1CC(=O)N(C)C1CC1 ZINC000153158317 385237266 /nfs/dbraw/zinc/23/72/66/385237266.db2.gz HWGFKJXGRFUCPM-ZYHUDNBSSA-N 0 3 240.347 0.843 20 0 BCADHN Cc1cc(CN2CC[C@@H]3CN(C)C[C@@H]32)ncn1 ZINC000644729739 385237671 /nfs/dbraw/zinc/23/76/71/385237671.db2.gz NPFMOOQCDZYWMG-YPMHNXCESA-N 0 3 232.331 0.921 20 0 BCADHN CC(C)n1ncnc1CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000644729750 385237919 /nfs/dbraw/zinc/23/79/19/385237919.db2.gz NPXKMOXELQCWFV-VXGBXAGGSA-N 0 3 249.362 0.995 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NCC(C)(C)O ZINC000108565097 385241068 /nfs/dbraw/zinc/24/10/68/385241068.db2.gz MPHRCEURBSORNK-VIFPVBQESA-N 0 3 229.324 0.151 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NCC(C)(C)O ZINC000108565101 385241338 /nfs/dbraw/zinc/24/13/38/385241338.db2.gz MPHRCEURBSORNK-SECBINFHSA-N 0 3 229.324 0.151 20 0 BCADHN Cc1nnc(CN2CC[C@@H]3CN(C)C[C@H]32)o1 ZINC000644730503 385257581 /nfs/dbraw/zinc/25/75/81/385257581.db2.gz VUCCWSVBTQJHKY-NXEZZACHSA-N 0 3 222.292 0.514 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1nccn1C(F)F ZINC000166494868 385246736 /nfs/dbraw/zinc/24/67/36/385246736.db2.gz RHJWBRIEJGLFDD-QMMMGPOBSA-N 0 3 246.261 0.878 20 0 BCADHN COC(=O)[C@H]1CCN(CCn2cccn2)C1 ZINC000109119924 385250033 /nfs/dbraw/zinc/25/00/33/385250033.db2.gz OOANOEMJHSRXDF-JTQLQIEISA-N 0 3 223.276 0.378 20 0 BCADHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)NC1CC1 ZINC000408431593 385250990 /nfs/dbraw/zinc/25/09/90/385250990.db2.gz ATXZDTVHVFPUCK-SCVCMEIPSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CC(O)(C2CC2)C1 ZINC000358501718 385251874 /nfs/dbraw/zinc/25/18/74/385251874.db2.gz NWLKQAHNNCIJPM-SECBINFHSA-N 0 3 241.335 0.103 20 0 BCADHN COCCCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000153416436 385254447 /nfs/dbraw/zinc/25/44/47/385254447.db2.gz FITFKVXUXGVVHN-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN Cc1ncc(C(=O)NC[C@@H]2C[C@H](F)CN2)[nH]1 ZINC000647058273 385203205 /nfs/dbraw/zinc/20/32/05/385203205.db2.gz ZPUOVNMUPSLCOZ-YUMQZZPRSA-N 0 3 226.255 0.148 20 0 BCADHN CCC1(NC(=O)C(C)S(C)(=O)=O)CCC1 ZINC000178587385 385302631 /nfs/dbraw/zinc/30/26/31/385302631.db2.gz ONUVLFJSQWFDEN-QMMMGPOBSA-N 0 3 233.333 0.868 20 0 BCADHN C[C@@H]1OCC[C@@H]1NC(=O)[C@@]1(C)CCCCN1 ZINC000227980037 385302591 /nfs/dbraw/zinc/30/25/91/385302591.db2.gz GQJRDTBFZNICHR-JBLDHEPKSA-N 0 3 226.320 0.812 20 0 BCADHN Cn1cc(CCN2CCC[C@@H]2CO)cn1 ZINC000077271634 385303011 /nfs/dbraw/zinc/30/30/11/385303011.db2.gz JIPSANRQQWISMR-LLVKDONJSA-N 0 3 209.293 0.419 20 0 BCADHN Cc1[nH]ncc1CN[C@@]1(C)CCOC1=O ZINC000289725226 385304328 /nfs/dbraw/zinc/30/43/28/385304328.db2.gz GJQAVXSWGJXKAG-JTQLQIEISA-N 0 3 209.249 0.513 20 0 BCADHN CN1CCC[C@H](NC(=O)CCc2cncnc2)C1 ZINC000644791829 385323941 /nfs/dbraw/zinc/32/39/41/385323941.db2.gz FLXZFUGXODGDBG-LBPRGKRZSA-N 0 3 248.330 0.620 20 0 BCADHN NC(=O)N1CCCN(CC2(O)CCCC2)CC1 ZINC000408445770 385306761 /nfs/dbraw/zinc/30/67/61/385306761.db2.gz BSLYLCBREJPBDZ-UHFFFAOYSA-N 0 3 241.335 0.378 20 0 BCADHN CC[C@H](N)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000037801637 385310895 /nfs/dbraw/zinc/31/08/95/385310895.db2.gz LTFZBZYTDLGOSM-QMMMGPOBSA-N 0 3 229.324 0.097 20 0 BCADHN CC[C@](C)(NC[C@H](O)C(C)(C)C)C(N)=O ZINC000308950738 385311226 /nfs/dbraw/zinc/31/12/26/385311226.db2.gz HJGUINDFDMZIAE-KWQFWETISA-N 0 3 216.325 0.637 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@@](C)(O)C1CC1 ZINC000308962008 385314449 /nfs/dbraw/zinc/31/44/49/385314449.db2.gz GQHXCJVTJCNKGB-WCBMZHEXSA-N 0 3 235.349 0.170 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000157999011 385324374 /nfs/dbraw/zinc/32/43/74/385324374.db2.gz KVDSMBNXNZKDLH-YTWAJWBKSA-N 0 3 238.331 0.798 20 0 BCADHN CC(C(=O)NCC(C)(C)C)S(C)(=O)=O ZINC000408056931 385315550 /nfs/dbraw/zinc/31/55/50/385315550.db2.gz NPRJJWWTMWIUTG-ZETCQYMHSA-N 0 3 221.322 0.582 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@@H](C)SC ZINC000157945337 385316609 /nfs/dbraw/zinc/31/66/09/385316609.db2.gz SNILOKZVUDDMDF-SFYZADRCSA-N 0 3 236.406 0.935 20 0 BCADHN CCOCCN[C@H](C)CS(=O)(=O)CC ZINC000162226238 385320535 /nfs/dbraw/zinc/32/05/35/385320535.db2.gz NRVYFEHPRUIPMA-SECBINFHSA-N 0 3 223.338 0.436 20 0 BCADHN CO[C@@H](C)CCC(=O)NCCOCCN(C)C ZINC000360591836 385260305 /nfs/dbraw/zinc/26/03/05/385260305.db2.gz SPQOPYDKDMGEOP-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CO[C@H](C)CCC(=O)NCCOCCN(C)C ZINC000360591835 385260641 /nfs/dbraw/zinc/26/06/41/385260641.db2.gz SPQOPYDKDMGEOP-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN CCCCNC(=O)CN1C[C@@H](C)[C@H](CO)C1 ZINC000190844338 385262255 /nfs/dbraw/zinc/26/22/55/385262255.db2.gz HXSIDYFGNAAIIG-MNOVXSKESA-N 0 3 228.336 0.463 20 0 BCADHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2c[n-]nn2)C1 ZINC000177581939 385264030 /nfs/dbraw/zinc/26/40/30/385264030.db2.gz KPOWRBYOANMGCW-BDAKNGLRSA-N 0 3 237.307 0.407 20 0 BCADHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC000177581939 385264034 /nfs/dbraw/zinc/26/40/34/385264034.db2.gz KPOWRBYOANMGCW-BDAKNGLRSA-N 0 3 237.307 0.407 20 0 BCADHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000177581939 385264042 /nfs/dbraw/zinc/26/40/42/385264042.db2.gz KPOWRBYOANMGCW-BDAKNGLRSA-N 0 3 237.307 0.407 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000153563210 385264532 /nfs/dbraw/zinc/26/45/32/385264532.db2.gz XHLMRPZZJWKAQM-XCBNKYQSSA-N 0 3 226.251 0.323 20 0 BCADHN CN(C(=O)c1cc[nH]n1)[C@@H]1CCCN(C)C1 ZINC000153574133 385264648 /nfs/dbraw/zinc/26/46/48/385264648.db2.gz LFDQGUKFIXTJPE-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN CN(C(=O)c1ccn[nH]1)[C@@H]1CCCN(C)C1 ZINC000153574133 385264653 /nfs/dbraw/zinc/26/46/53/385264653.db2.gz LFDQGUKFIXTJPE-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN CCn1ncnc1CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000644731765 385268420 /nfs/dbraw/zinc/26/84/20/385268420.db2.gz GZGLFQXFALUSND-GHMZBOCLSA-N 0 3 235.335 0.434 20 0 BCADHN CN1C[C@@H]2CCN(Cc3ccno3)[C@@H]2C1 ZINC000644731956 385269551 /nfs/dbraw/zinc/26/95/51/385269551.db2.gz PGIPBVVKGDJQEJ-GXSJLCMTSA-N 0 3 207.277 0.811 20 0 BCADHN C[C@H](N)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000157740594 385270988 /nfs/dbraw/zinc/27/09/88/385270988.db2.gz DTEMOJWGOKVPSU-VIFPVBQESA-N 0 3 236.319 0.962 20 0 BCADHN O=C(N[C@@H]1CC12CC2)[C@@H]1CN2CCN1CCC2 ZINC000424981126 385273266 /nfs/dbraw/zinc/27/32/66/385273266.db2.gz ZBLGJNGXQANJOG-WDEREUQCSA-N 0 3 235.331 0.045 20 0 BCADHN C[C@@H](N)C(=O)NCCc1c(F)cccc1F ZINC000153684146 385274898 /nfs/dbraw/zinc/27/48/98/385274898.db2.gz NWQICOCEPSVONE-SSDOTTSWSA-N 0 3 228.242 0.971 20 0 BCADHN CN1C[C@H]2CCN(Cc3ccnn3C)[C@@H]2C1 ZINC000644732193 385275422 /nfs/dbraw/zinc/27/54/22/385275422.db2.gz TUMUTGIWILHGSD-ZYHUDNBSSA-N 0 3 220.320 0.556 20 0 BCADHN N[C@H](Cc1ccccc1)C(=O)NCC(F)F ZINC000130726065 385279590 /nfs/dbraw/zinc/27/95/90/385279590.db2.gz DVBQVXPSWDYYBJ-SECBINFHSA-N 0 3 228.242 0.938 20 0 BCADHN CC[C@H]1CN(C)CCCN1C(=O)CN(C)C ZINC000647651155 385283429 /nfs/dbraw/zinc/28/34/29/385283429.db2.gz BFDMQFAGCHBLFH-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN CN(C[C@@H]1CCOC1)C(=O)[C@]1(F)CCNC1 ZINC000364240885 385286150 /nfs/dbraw/zinc/28/61/50/385286150.db2.gz YTVYDZNVTCNTPU-ONGXEEELSA-N 0 3 230.283 0.183 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc(N2CCCC2=O)cn1 ZINC000157806157 385288029 /nfs/dbraw/zinc/28/80/29/385288029.db2.gz PDEHWARTGXRWTH-QMMMGPOBSA-N 0 3 248.286 0.494 20 0 BCADHN CNC(=O)[C@H]1CCCN1CCCSC ZINC000157816861 385289208 /nfs/dbraw/zinc/28/92/08/385289208.db2.gz VLHUAKZYZFWNOU-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN C[C@@H](CN(C)C)Nc1cnn(C)c(=O)c1Cl ZINC000166877241 385289581 /nfs/dbraw/zinc/28/95/81/385289581.db2.gz TXGQCCVJBRZWDK-ZETCQYMHSA-N 0 3 244.726 0.796 20 0 BCADHN Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCCN(C)C ZINC000130858640 385292048 /nfs/dbraw/zinc/29/20/48/385292048.db2.gz RLTINQZLUOKXJB-MRVPVSSYSA-N 0 3 238.335 0.808 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C[C@@H](O)C(F)(F)F)C1 ZINC000644732572 385291918 /nfs/dbraw/zinc/29/19/18/385291918.db2.gz LKASCROGEMBLIU-XHNCKOQMSA-N 0 3 238.253 0.546 20 0 BCADHN COC[C@H](CCO)N[C@@H](C)COC(C)C ZINC000308923597 385294398 /nfs/dbraw/zinc/29/43/98/385294398.db2.gz HQIIKRYRKOHKAP-QWRGUYRKSA-N 0 3 219.325 0.787 20 0 BCADHN CO[C@@H](CN[C@@H]1CCC(=O)N(C)C1=O)C1CC1 ZINC000400136627 385296228 /nfs/dbraw/zinc/29/62/28/385296228.db2.gz DFPFQCFFVCVUIC-ZJUUUORDSA-N 0 3 240.303 0.148 20 0 BCADHN CO[C@H](CN[C@H]1CCC(=O)N(C)C1=O)C1CC1 ZINC000400136626 385296528 /nfs/dbraw/zinc/29/65/28/385296528.db2.gz DFPFQCFFVCVUIC-VHSXEESVSA-N 0 3 240.303 0.148 20 0 BCADHN C[C@@H]1OCC[C@]1(O)CNCc1cncc(F)c1 ZINC000227971460 385298836 /nfs/dbraw/zinc/29/88/36/385298836.db2.gz PFBCJHWPJYRGLV-CABZTGNLSA-N 0 3 240.278 0.850 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@H]2CCNC2=O)C1(C)C ZINC000308943517 385299350 /nfs/dbraw/zinc/29/93/50/385299350.db2.gz MXNPJRVEPZPSQQ-DJLDLDEBSA-N 0 3 212.293 0.278 20 0 BCADHN C[C@H](NCC1([S@](C)=O)CC1)c1cn[nH]c1 ZINC000308978481 385329347 /nfs/dbraw/zinc/32/93/47/385329347.db2.gz HGRWOEUQGVOQJV-AYVTZFPOSA-N 0 3 227.333 0.971 20 0 BCADHN CNC(=O)C1CN(C[C@H](OC)C2CC2)C1 ZINC000425432827 385338744 /nfs/dbraw/zinc/33/87/44/385338744.db2.gz LWIPAGBXLLCRRD-JTQLQIEISA-N 0 3 212.293 0.089 20 0 BCADHN CCN(CCNS(=O)(=O)CC)C(C)C ZINC000109326724 385339411 /nfs/dbraw/zinc/33/94/11/385339411.db2.gz TZDCIDLNBHGZIZ-UHFFFAOYSA-N 0 3 222.354 0.656 20 0 BCADHN CN1CCC(NC(=O)N(CCO)C2CC2)CC1 ZINC000407996212 385339634 /nfs/dbraw/zinc/33/96/34/385339634.db2.gz PKSIMMNWDJTSDR-UHFFFAOYSA-N 0 3 241.335 0.247 20 0 BCADHN Cn1cncc1CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644733251 385339679 /nfs/dbraw/zinc/33/96/79/385339679.db2.gz NILLQEHJYDYLES-PWSUYJOCSA-N 0 3 220.320 0.556 20 0 BCADHN CC(=O)N1CCCC[C@@H]1C(=O)NCCN(C)C ZINC000408059398 385389047 /nfs/dbraw/zinc/38/90/47/385389047.db2.gz CFCDYAOENMEWBC-LLVKDONJSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(CO)CC1 ZINC000408057891 385341513 /nfs/dbraw/zinc/34/15/13/385341513.db2.gz BIXNUKGGPLFGER-NXEZZACHSA-N 0 3 226.320 0.500 20 0 BCADHN CCCNC(=O)CCCC(=O)NCCN(C)C ZINC000178902850 385344405 /nfs/dbraw/zinc/34/44/05/385344405.db2.gz FYJJGJHLXPDRER-UHFFFAOYSA-N 0 3 243.351 0.361 20 0 BCADHN CC(=O)N[C@H]1CCCN(CCC(=O)N(C)C)C1 ZINC000407997826 385344854 /nfs/dbraw/zinc/34/48/54/385344854.db2.gz OLUNTMXLHDOOJY-NSHDSACASA-N 0 3 241.335 0.065 20 0 BCADHN CN(C(=O)[C@H]1NCC1(C)C)C1CCOCC1 ZINC000643983125 385345826 /nfs/dbraw/zinc/34/58/26/385345826.db2.gz PRMJBFOUPZTDKZ-SNVBAGLBSA-N 0 3 226.320 0.622 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000131630226 385348394 /nfs/dbraw/zinc/34/83/94/385348394.db2.gz JLCMMZXAGMLXMW-SECBINFHSA-N 0 3 236.319 0.507 20 0 BCADHN C[C@@H](NCCC(=O)N(C)C)c1ccnn1C ZINC000192249840 385349306 /nfs/dbraw/zinc/34/93/06/385349306.db2.gz ZOCRVIWBIGKSNW-SECBINFHSA-N 0 3 224.308 0.549 20 0 BCADHN Cc1nc(CN2CC[C@@H]3CN(C)C[C@@H]32)no1 ZINC000644733455 385350599 /nfs/dbraw/zinc/35/05/99/385350599.db2.gz JCBGZPLRTNGPGX-ZJUUUORDSA-N 0 3 222.292 0.514 20 0 BCADHN CN1C[C@@H]2CCN(Cc3nnnn3C3CC3)[C@@H]2C1 ZINC000644734946 385352303 /nfs/dbraw/zinc/35/23/03/385352303.db2.gz SWTQPBWPUPMYQK-GXSJLCMTSA-N 0 3 248.334 0.144 20 0 BCADHN CN1C[C@H]2CCN(Cc3nnnn3C3CC3)[C@H]2C1 ZINC000644734958 385352812 /nfs/dbraw/zinc/35/28/12/385352812.db2.gz SWTQPBWPUPMYQK-KOLCDFICSA-N 0 3 248.334 0.144 20 0 BCADHN CCc1ccc(CNC(CO)CO)cn1 ZINC000336764137 385352964 /nfs/dbraw/zinc/35/29/64/385352964.db2.gz PPTNMXYZODIVNI-UHFFFAOYSA-N 0 3 210.277 0.087 20 0 BCADHN CN1C[C@@H]2CCN(CC(=O)N3CCCC3)[C@@H]2C1 ZINC000644734108 385353649 /nfs/dbraw/zinc/35/36/49/385353649.db2.gz ZXBAXLMBCLFNHC-NWDGAFQWSA-N 0 3 237.347 0.245 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2CC(=O)N2CCCC2)C1 ZINC000644734109 385355286 /nfs/dbraw/zinc/35/52/86/385355286.db2.gz ZXBAXLMBCLFNHC-RYUDHWBXSA-N 0 3 237.347 0.245 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCC1CCOCC1 ZINC000643986408 385355786 /nfs/dbraw/zinc/35/57/86/385355786.db2.gz BVBUZLPZQNJYJV-SNVBAGLBSA-N 0 3 226.320 0.527 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCC1CCOCC1 ZINC000643986407 385355895 /nfs/dbraw/zinc/35/58/95/385355895.db2.gz BVBUZLPZQNJYJV-JTQLQIEISA-N 0 3 226.320 0.527 20 0 BCADHN CN(CC(F)F)C(=O)C(N)C(F)(F)F ZINC000309005831 385357509 /nfs/dbraw/zinc/35/75/09/385357509.db2.gz PUAGSWQCZAOIKR-SCSAIBSYSA-N 0 3 220.141 0.600 20 0 BCADHN CN(C(=O)C[C@H]1CNCCO1)C1CCC1 ZINC000158206741 385365296 /nfs/dbraw/zinc/36/52/96/385365296.db2.gz AADHURUENDVPQD-JTQLQIEISA-N 0 3 212.293 0.376 20 0 BCADHN Cc1nn(C)c(C)c1CCCNC(=O)[C@@H](C)N ZINC000158207083 385365594 /nfs/dbraw/zinc/36/55/94/385365594.db2.gz NFIDHELFNMMRTQ-MRVPVSSYSA-N 0 3 238.335 0.433 20 0 BCADHN CO[C@@H](C)CN(C(=O)[C@@H](C)N)C(C)C ZINC000309024792 385367442 /nfs/dbraw/zinc/36/74/42/385367442.db2.gz ZHFOCIJJSQTEQE-DTWKUNHWSA-N 0 3 202.298 0.606 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CCC(=O)N(C)C2=O)[C@@H](C)O1 ZINC000333224454 385368114 /nfs/dbraw/zinc/36/81/14/385368114.db2.gz SNVIBTKOWLJIGZ-KYXWUPHJSA-N 0 3 240.303 0.289 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000155018896 385370257 /nfs/dbraw/zinc/37/02/57/385370257.db2.gz WMBOTUQVNSVVTM-JTQLQIEISA-N 0 3 249.314 0.793 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000155018896 385370261 /nfs/dbraw/zinc/37/02/61/385370261.db2.gz WMBOTUQVNSVVTM-JTQLQIEISA-N 0 3 249.314 0.793 20 0 BCADHN Cc1cnc(CN[C@H](C)[C@H](C)CO)n1C ZINC000309016495 385370494 /nfs/dbraw/zinc/37/04/94/385370494.db2.gz UOXCYZIFNRPQHA-PSASIEDQSA-N 0 3 211.309 0.835 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2NCC2(C)C)[C@H](C)CO1 ZINC000644008151 385371855 /nfs/dbraw/zinc/37/18/55/385371855.db2.gz VWJYATHWMJOMNQ-OPRDCNLKSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000155135041 385376775 /nfs/dbraw/zinc/37/67/75/385376775.db2.gz CDSHBRLUOJNWAR-KWKYVRJSSA-N 0 3 226.301 0.710 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NC[C@@H]1CCCCO1 ZINC000644013019 385377356 /nfs/dbraw/zinc/37/73/56/385377356.db2.gz HAXLZEFJENOQJD-VHSXEESVSA-N 0 3 226.320 0.670 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1C=C[C@H](CO)C1 ZINC000289411701 385377407 /nfs/dbraw/zinc/37/74/07/385377407.db2.gz BOUITIIDBSZTPI-VHSXEESVSA-N 0 3 207.277 0.745 20 0 BCADHN Cn1cc(C(C)(C)NC(=O)CNC2CC2)cn1 ZINC000644018687 385379701 /nfs/dbraw/zinc/37/97/01/385379701.db2.gz WXQAFZNWAAZDMW-UHFFFAOYSA-N 0 3 236.319 0.523 20 0 BCADHN CC[C@H](COC)NC(=O)[C@@H](N)CC(F)F ZINC000309032188 385381255 /nfs/dbraw/zinc/38/12/55/385381255.db2.gz CKMUTSFJGZRUDH-RQJHMYQMSA-N 0 3 224.251 0.510 20 0 BCADHN C[C@@H]1OCC[C@@H]1NC(=O)[C@@H](N)CC(F)F ZINC000309035088 385381848 /nfs/dbraw/zinc/38/18/48/385381848.db2.gz FLKPTSKDGJRDRT-ACZMJKKPSA-N 0 3 222.235 0.263 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC000155220474 385381929 /nfs/dbraw/zinc/38/19/29/385381929.db2.gz FIIUSBHNOYUSAY-NSHDSACASA-N 0 3 234.303 0.643 20 0 BCADHN C[C@H](N)C(=O)NCCN1c2ccccc2CC1=O ZINC000155238436 385382264 /nfs/dbraw/zinc/38/22/64/385382264.db2.gz AGCWUUMNBDHCMA-VIFPVBQESA-N 0 3 247.298 0.039 20 0 BCADHN C/C=C\C[C@H](CO)NCc1ccnn1C ZINC000309036334 385382315 /nfs/dbraw/zinc/38/23/15/385382315.db2.gz IJEDJESBSVGHCM-UMBAGQNISA-N 0 3 209.293 0.837 20 0 BCADHN CC(=O)N(C)c1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000644017349 385382891 /nfs/dbraw/zinc/38/28/91/385382891.db2.gz AWKCPBFIMRXWDJ-GFCCVEGCSA-N 0 3 247.298 0.970 20 0 BCADHN C[C@H](NC(=O)[C@@H]1NCC1(C)C)C1CCOCC1 ZINC000644035552 385390936 /nfs/dbraw/zinc/39/09/36/385390936.db2.gz RPDFQZHUGXJQHW-ONGXEEELSA-N 0 3 240.347 0.916 20 0 BCADHN COC[C@@H](C)N(C)C(=O)NC1CCN(C)CC1 ZINC000193138037 385384827 /nfs/dbraw/zinc/38/48/27/385384827.db2.gz HDFCMPKCIHHFPK-SNVBAGLBSA-N 0 3 243.351 0.757 20 0 BCADHN CCC[C@@H]1CN(C(=O)CNC)CCO1 ZINC000193139102 385385876 /nfs/dbraw/zinc/38/58/76/385385876.db2.gz SICZBNYPAJEWOR-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN Cc1ncc(C(=O)NC[C@@H]2CCN(C)C2)c(C)n1 ZINC000180144456 385387494 /nfs/dbraw/zinc/38/74/94/385387494.db2.gz FKIXDOGPNLAQHT-NSHDSACASA-N 0 3 248.330 0.775 20 0 BCADHN CC(=O)N1CC[C@@H](N[C@@H](C)c2ccnn2C)C1 ZINC000408448662 385326770 /nfs/dbraw/zinc/32/67/70/385326770.db2.gz ZCYNFSPLTLVBOQ-GXSJLCMTSA-N 0 3 236.319 0.692 20 0 BCADHN CCOC[C@H](C)NCC1(S(C)(=O)=O)CC1 ZINC000308972138 385326993 /nfs/dbraw/zinc/32/69/93/385326993.db2.gz AFKIMFXUAOBXNA-VIFPVBQESA-N 0 3 235.349 0.578 20 0 BCADHN Cn1cc(C(=O)N2CCNCC2(C)C)ccc1=O ZINC000644075562 385425167 /nfs/dbraw/zinc/42/51/67/385425167.db2.gz ATGLBHZKZIPCTN-UHFFFAOYSA-N 0 3 249.314 0.209 20 0 BCADHN CSC[C@](C)(O)CNCc1cncn1C ZINC000120626252 385394831 /nfs/dbraw/zinc/39/48/31/385394831.db2.gz PFVWCIOBHULIKA-SNVBAGLBSA-N 0 3 229.349 0.624 20 0 BCADHN Cn1cc(CNCCCO)c(C(F)F)n1 ZINC000291294494 385394861 /nfs/dbraw/zinc/39/48/61/385394861.db2.gz WBBUDGKZEUPZLC-UHFFFAOYSA-N 0 3 219.235 0.830 20 0 BCADHN CSC[C@@](C)(O)CNCc1cncn1C ZINC000120626381 385395357 /nfs/dbraw/zinc/39/53/57/385395357.db2.gz PFVWCIOBHULIKA-JTQLQIEISA-N 0 3 229.349 0.624 20 0 BCADHN COCCN(CCOC)C(=O)[C@@H]1NCC1(C)C ZINC000644045591 385395798 /nfs/dbraw/zinc/39/57/98/385395798.db2.gz KSANFBGDUGMTHQ-JTQLQIEISA-N 0 3 244.335 0.106 20 0 BCADHN Cc1cc(C)n(CCN2C[C@@H](O)C[C@@H]2C)n1 ZINC000309058821 385395963 /nfs/dbraw/zinc/39/59/63/385395963.db2.gz GVUJYACVCQQKMB-JQWIXIFHSA-N 0 3 223.320 0.955 20 0 BCADHN C[C@@H](CN(C)C)Nc1ncnc2c1cnn2C ZINC000168973311 385397366 /nfs/dbraw/zinc/39/73/66/385397366.db2.gz FKHYXHLQFRWHEA-QMMMGPOBSA-N 0 3 234.307 0.725 20 0 BCADHN C[C@@H](N)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000168971141 385397878 /nfs/dbraw/zinc/39/78/78/385397878.db2.gz BQDBPYKGPCJHSL-PSASIEDQSA-N 0 3 222.292 0.811 20 0 BCADHN CC(=O)CCN1CCC(Cn2ccnn2)CC1 ZINC000155594977 385398140 /nfs/dbraw/zinc/39/81/40/385398140.db2.gz WFOYQSNCLLZCIE-UHFFFAOYSA-N 0 3 236.319 0.969 20 0 BCADHN CC(C)(C)[C@@H](CO)NCC(=O)N1CCCCC1 ZINC000180626629 385398835 /nfs/dbraw/zinc/39/88/35/385398835.db2.gz NLGSONUSKMVHRS-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000155612765 385399221 /nfs/dbraw/zinc/39/92/21/385399221.db2.gz YPOXGWBDGXWXEO-UWVGGRQHSA-N 0 3 249.314 0.155 20 0 BCADHN CCc1cc(NC(=O)[C@@H]2NCC2(C)C)n(C)n1 ZINC000644050827 385402077 /nfs/dbraw/zinc/40/20/77/385402077.db2.gz RPYXZURVZVQEQB-JTQLQIEISA-N 0 3 236.319 0.919 20 0 BCADHN COCC(COC)NCc1ccn(C)c1 ZINC000388427309 385404347 /nfs/dbraw/zinc/40/43/47/385404347.db2.gz LEGOSXDGSAQNCM-UHFFFAOYSA-N 0 3 212.293 0.776 20 0 BCADHN Cc1cc(=O)n(C)cc1NC(=O)[C@H]1NCC1(C)C ZINC000644054389 385404846 /nfs/dbraw/zinc/40/48/46/385404846.db2.gz JOZZANQKXRNQIC-LLVKDONJSA-N 0 3 249.314 0.630 20 0 BCADHN COC[C@@H](NC(=O)[C@@H]1NCC1(C)C)C(C)C ZINC000644053550 385405275 /nfs/dbraw/zinc/40/52/75/385405275.db2.gz HKLKDRQTAOEKQD-ZJUUUORDSA-N 0 3 228.336 0.772 20 0 BCADHN CO[C@@H](CNC(=O)[C@H]1NCC1(C)C)C(C)C ZINC000644054670 385405724 /nfs/dbraw/zinc/40/57/24/385405724.db2.gz LWKKMWFLHMCYTN-VHSXEESVSA-N 0 3 228.336 0.772 20 0 BCADHN Cc1cc(=O)n(C)cc1NC(=O)[C@@H]1NCC1(C)C ZINC000644054390 385406150 /nfs/dbraw/zinc/40/61/50/385406150.db2.gz JOZZANQKXRNQIC-NSHDSACASA-N 0 3 249.314 0.630 20 0 BCADHN CO[C@H](CNC(=O)[C@@H]1NCC1(C)C)C(C)C ZINC000644054671 385406489 /nfs/dbraw/zinc/40/64/89/385406489.db2.gz LWKKMWFLHMCYTN-ZJUUUORDSA-N 0 3 228.336 0.772 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H]2OCCC[C@@H]2C1 ZINC000372037834 385408462 /nfs/dbraw/zinc/40/84/62/385408462.db2.gz QSFLXHTWUJVIQQ-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CC1(C)CCC[C@@H](NC(=O)C(=O)NCCN)C1 ZINC000149221414 134449205 /nfs/dbraw/zinc/44/92/05/134449205.db2.gz GOVOZWUDSPUEAZ-SECBINFHSA-N 0 3 241.335 0.146 20 0 BCADHN CN(Cc1cnccn1)C(=O)[C@@H]1CCCCN1 ZINC000178741294 385415284 /nfs/dbraw/zinc/41/52/84/385415284.db2.gz BJSVTLNIPFZLGV-NSHDSACASA-N 0 3 234.303 0.577 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)C(C1CC1)C1CC1 ZINC000353126827 385418812 /nfs/dbraw/zinc/41/88/12/385418812.db2.gz HYRBKOKZJFRJTO-JTQLQIEISA-N 0 3 226.320 0.607 20 0 BCADHN C=Cn1cc(CN(C)CCCC(=O)NC)cn1 ZINC000194018656 385420419 /nfs/dbraw/zinc/42/04/19/385420419.db2.gz SKPOOPNMOMGZQK-UHFFFAOYSA-N 0 3 236.319 0.942 20 0 BCADHN CN(C)[C@H]1CN(c2cc3c(nn2)CCC3)C[C@@H]1O ZINC000643159683 385438940 /nfs/dbraw/zinc/43/89/40/385438940.db2.gz AHKJSZNIZJQXRY-RYUDHWBXSA-N 0 3 248.330 0.076 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000156186723 385440365 /nfs/dbraw/zinc/44/03/65/385440365.db2.gz RCPYMJNMGBSCEB-BDAKNGLRSA-N 0 3 240.328 0.995 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC000194630050 385443266 /nfs/dbraw/zinc/44/32/66/385443266.db2.gz CMCMHQZMMOBIAK-MWLCHTKSSA-N 0 3 241.335 0.112 20 0 BCADHN CN(C)CCNC(=O)N[C@H]1CC=CCC1 ZINC000179218785 385452333 /nfs/dbraw/zinc/45/23/33/385452333.db2.gz GXMWRHOFAQITOP-JTQLQIEISA-N 0 3 211.309 0.956 20 0 BCADHN Cn1cncc1CNCCCN1CCOC1=O ZINC000170874324 385452625 /nfs/dbraw/zinc/45/26/25/385452625.db2.gz LVINLPVABCTOQO-UHFFFAOYSA-N 0 3 238.291 0.352 20 0 BCADHN C[C@H](O)CN1CCC(c2ccnn2C)CC1 ZINC000194951790 385453231 /nfs/dbraw/zinc/45/32/31/385453231.db2.gz SWQHFBARKGDXTC-JTQLQIEISA-N 0 3 223.320 0.980 20 0 BCADHN C=Cn1cc(CNCCC(=O)N(C)C)cn1 ZINC000194349588 385432029 /nfs/dbraw/zinc/43/20/29/385432029.db2.gz QWDZQJNHVRXQDY-UHFFFAOYSA-N 0 3 222.292 0.552 20 0 BCADHN CO[C@@H](C)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000182218313 385434288 /nfs/dbraw/zinc/43/42/88/385434288.db2.gz IKHPRMFJPDSGDP-QWHCGFSZSA-N 0 3 242.363 0.675 20 0 BCADHN COc1ccc(CNC[C@@]2(O)CCOC2)cc1 ZINC000179019567 385434407 /nfs/dbraw/zinc/43/44/07/385434407.db2.gz INGBZQFACYZFFF-ZDUSSCGKSA-N 0 3 237.299 0.936 20 0 BCADHN COC(=O)CCCN1CCOC[C@@H](C)C1 ZINC000378284691 385438112 /nfs/dbraw/zinc/43/81/12/385438112.db2.gz GYBAEIIRCSHWGY-JTQLQIEISA-N 0 3 215.293 0.908 20 0 BCADHN COC[C@@H](C)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000156766478 385468410 /nfs/dbraw/zinc/46/84/10/385468410.db2.gz RMBGZOAQJAUJDF-MRVPVSSYSA-N 0 3 235.287 0.981 20 0 BCADHN CN1CCC[C@H](NC(=O)CCc2ncccn2)C1 ZINC000643165364 385476648 /nfs/dbraw/zinc/47/66/48/385476648.db2.gz LLRMPPWXDNECQW-NSHDSACASA-N 0 3 248.330 0.620 20 0 BCADHN CN(C)C/C=C/C(=O)N1C[C@H](F)C[C@@H]1CO ZINC000364592498 385478408 /nfs/dbraw/zinc/47/84/08/385478408.db2.gz RNPWSKVMBYIYRP-HIHHVFROSA-N 0 3 230.283 0.036 20 0 BCADHN CS[C@@H]1CCN(CC(=O)N(C)C)C1 ZINC000336273438 385480546 /nfs/dbraw/zinc/48/05/46/385480546.db2.gz NICGGHBEDMBTQN-MRVPVSSYSA-N 0 3 202.323 0.512 20 0 BCADHN CC(C)n1cc(CN[C@@H](C)CN(C)C)nn1 ZINC000309215247 385483793 /nfs/dbraw/zinc/48/37/93/385483793.db2.gz PBPLUMKSCYRHLK-JTQLQIEISA-N 0 3 225.340 0.899 20 0 BCADHN Cc1n[nH]c(C)c1CN1CC[C@@H](C(N)=O)C1 ZINC000157077471 385484153 /nfs/dbraw/zinc/48/41/53/385484153.db2.gz HPCKTKHCHXGSGG-SECBINFHSA-N 0 3 222.292 0.334 20 0 BCADHN CC1(C)OCC[C@H]1N[C@H]1CC(=O)N(C2CC2)C1 ZINC000336378333 385486561 /nfs/dbraw/zinc/48/65/61/385486561.db2.gz ZFGCBFSZYJNTAD-GXSJLCMTSA-N 0 3 238.331 0.907 20 0 BCADHN Nc1cc(CN2CC[C@H](CO)C2)ccn1 ZINC000161693850 385458783 /nfs/dbraw/zinc/45/87/83/385458783.db2.gz GKSHJPHDKPCBAN-JTQLQIEISA-N 0 3 207.277 0.478 20 0 BCADHN CN(C)[C@H]1CCCN(CC(=O)NCC2CC2)C1 ZINC000109810673 385488812 /nfs/dbraw/zinc/48/88/12/385488812.db2.gz PPCKCGFBMKAFTI-LBPRGKRZSA-N 0 3 239.363 0.539 20 0 BCADHN Cn1cnc(C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000179343004 385461012 /nfs/dbraw/zinc/46/10/12/385461012.db2.gz UNGQIPOCDIBNGE-SNVBAGLBSA-N 0 3 234.303 0.340 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000195170500 385462668 /nfs/dbraw/zinc/46/26/68/385462668.db2.gz RNOFSHCXLSBGOU-RYUDHWBXSA-N 0 3 247.342 0.976 20 0 BCADHN Cn1nncc1CN[C@@]1(C)CCCOC1 ZINC000221357893 385493771 /nfs/dbraw/zinc/49/37/71/385493771.db2.gz OSULTRDWUBWALF-JTQLQIEISA-N 0 3 210.281 0.474 20 0 BCADHN CCCCCN(CC(N)=O)C[C@@H](O)CC ZINC000183039456 385502357 /nfs/dbraw/zinc/50/23/57/385502357.db2.gz HNHNPDOMPZTELJ-JTQLQIEISA-N 0 3 216.325 0.735 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H]1CCCOCC1 ZINC000183056071 385503496 /nfs/dbraw/zinc/50/34/96/385503496.db2.gz FQXGEGDZIJXVCV-VHSXEESVSA-N 0 3 214.309 0.799 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccncn2)C1 ZINC000644810823 385507097 /nfs/dbraw/zinc/50/70/97/385507097.db2.gz LSBNXYLJBOBKQV-ONGXEEELSA-N 0 3 232.287 0.253 20 0 BCADHN CO[C@@H](CNC(=O)[C@H]1C[C@H](F)CN1)C(C)C ZINC000364729878 385508362 /nfs/dbraw/zinc/50/83/62/385508362.db2.gz IROCSHGLKCGSPJ-AEJSXWLSSA-N 0 3 232.299 0.474 20 0 BCADHN C[C@H](NC(=O)[C@H](N)CC(F)F)[C@H]1CCCO1 ZINC000309296320 385518420 /nfs/dbraw/zinc/51/84/20/385518420.db2.gz KUSFJMYYKKJMKU-XLPZGREQSA-N 0 3 236.262 0.653 20 0 BCADHN CC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000304016677 385509870 /nfs/dbraw/zinc/50/98/70/385509870.db2.gz WVEVQLOSCGULGX-LLVKDONJSA-N 0 3 214.309 0.215 20 0 BCADHN COC[C@H](NC[C@H](O)COC)c1ccccc1 ZINC000180248489 385515474 /nfs/dbraw/zinc/51/54/74/385515474.db2.gz MMFBSFPFFWBAOI-STQMWFEESA-N 0 3 239.315 0.971 20 0 BCADHN CC[C@@H](NCCCOCCO)c1nccn1C ZINC000180240356 385516093 /nfs/dbraw/zinc/51/60/93/385516093.db2.gz HTVISHPSZUHVRP-LLVKDONJSA-N 0 3 241.335 0.860 20 0 BCADHN Cc1n[nH]c(C)c1CN1CCC(C(N)=O)CC1 ZINC000408063610 385517048 /nfs/dbraw/zinc/51/70/48/385517048.db2.gz WHJBQUOHBDTFRQ-UHFFFAOYSA-N 0 3 236.319 0.724 20 0 BCADHN COCCNC(=O)N1CCN2CCC[C@H]2C1 ZINC000171896371 385529651 /nfs/dbraw/zinc/52/96/51/385529651.db2.gz SWBCERFAWRYIDO-JTQLQIEISA-N 0 3 227.308 0.122 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](N)CC(F)F)CCO1 ZINC000309316802 385529671 /nfs/dbraw/zinc/52/96/71/385529671.db2.gz PKEQAZSCVBKOOV-JGVFFNPUSA-N 0 3 236.262 0.606 20 0 BCADHN O=C(C[C@H]1CCOC1)NC[C@@H]1C[C@H](F)CN1 ZINC000644143417 385530742 /nfs/dbraw/zinc/53/07/42/385530742.db2.gz NAGJBUXBHNPUAL-UTLUCORTSA-N 0 3 230.283 0.229 20 0 BCADHN C[C@H](CO)[C@H](C)NCc1cc(C(N)=O)cs1 ZINC000157881832 385532912 /nfs/dbraw/zinc/53/29/12/385532912.db2.gz ARCVQLARYFTALE-SFYZADRCSA-N 0 3 242.344 0.954 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@@H](N)CC(F)F ZINC000309318939 385533169 /nfs/dbraw/zinc/53/31/69/385533169.db2.gz PVEMIMDAUWYVQG-RITPCOANSA-N 0 3 238.234 0.037 20 0 BCADHN C[C@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC1(F)F ZINC000644141977 385533315 /nfs/dbraw/zinc/53/33/15/385533315.db2.gz WOUWDYHKSIASCV-ACLDMZEESA-N 0 3 236.237 0.848 20 0 BCADHN CCn1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cn1 ZINC000644812707 385534302 /nfs/dbraw/zinc/53/43/02/385534302.db2.gz FGYWJKKTKRKWJH-CMPLNLGQSA-N 0 3 248.330 0.679 20 0 BCADHN CCn1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cn1 ZINC000644812712 385534428 /nfs/dbraw/zinc/53/44/28/385534428.db2.gz FGYWJKKTKRKWJH-ZYHUDNBSSA-N 0 3 248.330 0.679 20 0 BCADHN C[C@H](N)C(=O)NCCOCc1ccccc1 ZINC000157926859 385536130 /nfs/dbraw/zinc/53/61/30/385536130.db2.gz OCKULEKMONWKKR-JTQLQIEISA-N 0 3 222.288 0.667 20 0 BCADHN CN(CCn1cccn1)C[C@@H](O)Cn1cccn1 ZINC000171966848 385536607 /nfs/dbraw/zinc/53/66/07/385536607.db2.gz ZQHIORSIXBXQKY-GFCCVEGCSA-N 0 3 249.318 0.073 20 0 BCADHN C[C@@H](N)C(=O)NCCOCc1ccccc1 ZINC000157927940 385538291 /nfs/dbraw/zinc/53/82/91/385538291.db2.gz OCKULEKMONWKKR-SNVBAGLBSA-N 0 3 222.288 0.667 20 0 BCADHN CN(CCN1CCCC1=O)[C@H]1CCOC1 ZINC000106882407 385540625 /nfs/dbraw/zinc/54/06/25/385540625.db2.gz QHDKNXDWUWZDHW-JTQLQIEISA-N 0 3 212.293 0.330 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCCCO2)C1 ZINC000644813407 385542325 /nfs/dbraw/zinc/54/23/25/385542325.db2.gz GQDWUAQIFIAKBX-SDDRHHMPSA-N 0 3 238.331 0.718 20 0 BCADHN COCC[C@@](C)(O)CNCc1c[nH]nc1C ZINC000172069755 385547271 /nfs/dbraw/zinc/54/72/71/385547271.db2.gz WLISOGKLWLIOOI-LLVKDONJSA-N 0 3 227.308 0.595 20 0 BCADHN COC[C@@H](NC(=O)[C@@H](C)N)c1ccccc1 ZINC000157775393 385521732 /nfs/dbraw/zinc/52/17/32/385521732.db2.gz AVNGLLLOOVYBPG-MWLCHTKSSA-N 0 3 222.288 0.838 20 0 BCADHN CC(C)CO[C@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644141179 385521865 /nfs/dbraw/zinc/52/18/65/385521865.db2.gz QPJKYCBPKVOUBJ-VWYCJHECSA-N 0 3 246.326 0.864 20 0 BCADHN CC1(C(=O)NC[C@@H]2C[C@H](F)CN2)CCOCC1 ZINC000644141128 385522092 /nfs/dbraw/zinc/52/20/92/385522092.db2.gz ITTGGUIOQMQNAC-UWVGGRQHSA-N 0 3 244.310 0.619 20 0 BCADHN Cn1nnc2cc(CN3CCC[C@H](O)C3)ccc21 ZINC000408063948 385522716 /nfs/dbraw/zinc/52/27/16/385522716.db2.gz XKVLHFGCAIDSMR-NSHDSACASA-N 0 3 246.314 0.925 20 0 BCADHN [NH3+][C@@H]1CCC[C@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000643030421 385525125 /nfs/dbraw/zinc/52/51/25/385525125.db2.gz SBBNFHYSMYFKQG-SFYZADRCSA-N 0 3 232.291 0.408 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@H](C(N)=O)C1 ZINC000408064164 385525347 /nfs/dbraw/zinc/52/53/47/385525347.db2.gz UOLKYSNCLQDDPC-MRVPVSSYSA-N 0 3 208.265 0.025 20 0 BCADHN CN(CCOCCO)C[C@@H](O)CC1CCCC1 ZINC000302473812 385528407 /nfs/dbraw/zinc/52/84/07/385528407.db2.gz XTBVFNDTVGBLOD-ZDUSSCGKSA-N 0 3 245.363 0.868 20 0 BCADHN CC(C)N(C)C(=O)CN(C[C@@H](C)O)C(C)C ZINC000107050317 385550322 /nfs/dbraw/zinc/55/03/22/385550322.db2.gz DISNKZGPMZAAIE-LLVKDONJSA-N 0 3 230.352 0.944 20 0 BCADHN CC[C@H](CO)NC(=O)N[C@H]1CCCN(CC)C1 ZINC000180898876 385553759 /nfs/dbraw/zinc/55/37/59/385553759.db2.gz SVSXMYLGPLYGPD-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN NS(=O)(=O)C1CCN(CC2CCC2)CC1 ZINC000334446935 385554045 /nfs/dbraw/zinc/55/40/45/385554045.db2.gz LJMJMVHULAYYGH-UHFFFAOYSA-N 0 3 232.349 0.539 20 0 BCADHN CCN1CCC[C@@H](CNS(=O)(=O)N(C)C)C1 ZINC000408158375 385576510 /nfs/dbraw/zinc/57/65/10/385576510.db2.gz BQVODLJROXPCIY-JTQLQIEISA-N 0 3 249.380 0.114 20 0 BCADHN Cc1ccncc1CNC[C@@H](O)[C@@H]1CCOC1 ZINC000354483779 385557885 /nfs/dbraw/zinc/55/78/85/385557885.db2.gz VVBLUIYQNRZWNN-DGCLKSJQSA-N 0 3 236.315 0.877 20 0 BCADHN CO[C@@H](C)CC(=O)N1CCN2CCC1CC2 ZINC000365000200 385560100 /nfs/dbraw/zinc/56/01/00/385560100.db2.gz HLTFYXHMMSSNHA-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCNC(=O)C[C@@H]1C ZINC000365004814 385561168 /nfs/dbraw/zinc/56/11/68/385561168.db2.gz BAWWTVDEDBWOLO-JOYOIKCWSA-N 0 3 241.335 0.241 20 0 BCADHN CC(C)[C@@H](CO)O[N-]C(=O)/C=C/C[NH+](C)C ZINC000493314230 385561495 /nfs/dbraw/zinc/56/14/95/385561495.db2.gz CRROWCTZIYSQCI-BRAIEQGRSA-N 0 3 230.308 0.169 20 0 BCADHN CC(C)[C@@H](CO)O[N-]C(=O)/C=C\C[NH+](C)C ZINC000493314233 385561764 /nfs/dbraw/zinc/56/17/64/385561764.db2.gz CRROWCTZIYSQCI-WWQCOOJYSA-N 0 3 230.308 0.169 20 0 BCADHN CCCCN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000107300980 385562409 /nfs/dbraw/zinc/56/24/09/385562409.db2.gz TYQRVVGAANYQTF-SNVBAGLBSA-N 0 3 249.380 0.292 20 0 BCADHN CS(=O)(=O)NCCN1CC[C@@H]2CCCC[C@@H]21 ZINC000107300183 385563137 /nfs/dbraw/zinc/56/31/37/385563137.db2.gz IYGIFPSOEDFLSD-QWRGUYRKSA-N 0 3 246.376 0.800 20 0 BCADHN CCN(CCNS(C)(=O)=O)[C@H](C)C(C)C ZINC000107367747 385564736 /nfs/dbraw/zinc/56/47/36/385564736.db2.gz HDGBBCYLWSLZPH-SNVBAGLBSA-N 0 3 236.381 0.902 20 0 BCADHN C[C@@H](C[S@](C)=O)NC(=O)[C@@H]1CCN(C)[C@@H]1C ZINC000592787298 385577020 /nfs/dbraw/zinc/57/70/20/385577020.db2.gz LMJFFUWAMYVDLP-PIAUOXEZSA-N 0 3 246.376 0.210 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000408150716 385570123 /nfs/dbraw/zinc/57/01/23/385570123.db2.gz WYCJXMHFBJKWSM-AXFHLTTASA-N 0 3 242.363 0.979 20 0 BCADHN C[C@@H](NCC1=CCCOC1)C(=O)NCCF ZINC000309410393 385573066 /nfs/dbraw/zinc/57/30/66/385573066.db2.gz IMFUIBCBBFUMQM-SECBINFHSA-N 0 3 230.283 0.397 20 0 BCADHN COCCn1cc(CNC2CCOCC2)cn1 ZINC000337315766 385594572 /nfs/dbraw/zinc/59/45/72/385594572.db2.gz XDLHGUHISPNEHB-UHFFFAOYSA-N 0 3 239.319 0.798 20 0 BCADHN CN[C@@H](C)C(=O)N(C)Cc1ccccn1 ZINC000054072329 385596045 /nfs/dbraw/zinc/59/60/45/385596045.db2.gz BJBIZJUYSVRXLB-VIFPVBQESA-N 0 3 207.277 0.648 20 0 BCADHN C[C@H]1C[C@@H](N(C)C(=O)c2nc[nH]n2)CCN1C ZINC000408168840 385597057 /nfs/dbraw/zinc/59/70/57/385597057.db2.gz MHVIEWLLPFRCRD-IUCAKERBSA-N 0 3 237.307 0.359 20 0 BCADHN C[C@H]1C[C@H](N(C)C(=O)c2nc[nH]n2)CCN1C ZINC000408168839 385597238 /nfs/dbraw/zinc/59/72/38/385597238.db2.gz MHVIEWLLPFRCRD-DTWKUNHWSA-N 0 3 237.307 0.359 20 0 BCADHN NC(=O)[C@H]1CCCN1CC[C@@H]1CCCCO1 ZINC000408195676 385598892 /nfs/dbraw/zinc/59/88/92/385598892.db2.gz SLUWUGLHGRLVQY-WDEREUQCSA-N 0 3 226.320 0.895 20 0 BCADHN CSCC[C@@H](O)C(=O)N1CCNC(C)(C)C1 ZINC000408450198 385599519 /nfs/dbraw/zinc/59/95/19/385599519.db2.gz DDDCXJPBBWWONU-SECBINFHSA-N 0 3 246.376 0.311 20 0 BCADHN CC(C)COCCN(C)[C@]1(CO)CCOC1 ZINC000337313297 385604754 /nfs/dbraw/zinc/60/47/54/385604754.db2.gz GOWKOGNKFPYMOU-LBPRGKRZSA-N 0 3 231.336 0.742 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2ccno2)C1 ZINC000280796444 385604840 /nfs/dbraw/zinc/60/48/40/385604840.db2.gz RNMBLLPJUTXJJK-SNVBAGLBSA-N 0 3 209.249 0.372 20 0 BCADHN CC(C)[C@H]1CCCCN1CC(=O)NC(N)=O ZINC000117347714 385578469 /nfs/dbraw/zinc/57/84/69/385578469.db2.gz FAKAWVZZLSBYDW-SECBINFHSA-N 0 3 227.308 0.692 20 0 BCADHN COCC(C)(C)CNCC(=O)NCC(F)F ZINC000309442057 385583337 /nfs/dbraw/zinc/58/33/37/385583337.db2.gz ITYOMHHCSNWJMX-UHFFFAOYSA-N 0 3 238.278 0.630 20 0 BCADHN CC[C@H]1COCCN1C(=O)[C@@H](N)CC(F)F ZINC000309440101 385583347 /nfs/dbraw/zinc/58/33/47/385583347.db2.gz NTTXDEIXJVGEPN-YUMQZZPRSA-N 0 3 236.262 0.606 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000309450283 385585423 /nfs/dbraw/zinc/58/54/23/385585423.db2.gz KYBYSMLGARVUFK-XHNCKOQMSA-N 0 3 225.292 0.844 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cc[nH]c3)[C@H]2C1 ZINC000644817156 385605907 /nfs/dbraw/zinc/60/59/07/385605907.db2.gz ZWKRYTGTKFHHDN-MNOVXSKESA-N 0 3 219.288 0.791 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000107821831 385587247 /nfs/dbraw/zinc/58/72/47/385587247.db2.gz TWLVVYOKWKYSKJ-ZJUUUORDSA-N 0 3 213.277 0.660 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc[nH]c2)C1 ZINC000644817157 385606050 /nfs/dbraw/zinc/60/60/50/385606050.db2.gz ZWKRYTGTKFHHDN-QWRGUYRKSA-N 0 3 219.288 0.791 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H]1CCN(C2CC2)C1=O ZINC000309464050 385593121 /nfs/dbraw/zinc/59/31/21/385593121.db2.gz OSVQKCQMISGSCZ-IQJOONFLSA-N 0 3 226.320 0.763 20 0 BCADHN COC[C@H](C)CNC(=O)[C@@H](N)CC(F)F ZINC000336678791 385616414 /nfs/dbraw/zinc/61/64/14/385616414.db2.gz IIVFYXYNRUEBAV-RQJHMYQMSA-N 0 3 224.251 0.368 20 0 BCADHN CCOC[C@H](O)CN[C@@H](C)c1ccnn1C ZINC000309495755 385616519 /nfs/dbraw/zinc/61/65/19/385616519.db2.gz ZBAORLIEILJUJO-VHSXEESVSA-N 0 3 227.308 0.468 20 0 BCADHN Cc1nnccc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644820804 385617017 /nfs/dbraw/zinc/61/70/17/385617017.db2.gz ZVMTWEOBVDGFII-ZYHUDNBSSA-N 0 3 246.314 0.561 20 0 BCADHN C[C@H](O)CN1CCN(CC2(C)COC2)[C@@H](C)C1 ZINC000337357272 385617090 /nfs/dbraw/zinc/61/70/90/385617090.db2.gz CSVYYAJEQLLQAC-RYUDHWBXSA-N 0 3 242.363 0.410 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@H](N)CC(F)F ZINC000336678789 385617337 /nfs/dbraw/zinc/61/73/37/385617337.db2.gz IIVFYXYNRUEBAV-NKWVEPMBSA-N 0 3 224.251 0.368 20 0 BCADHN CC[C@@H](C)OCC(=O)NC[C@H](C)N(C)C ZINC000337359955 385618488 /nfs/dbraw/zinc/61/84/88/385618488.db2.gz FOPVJVUGKVQQKI-VHSXEESVSA-N 0 3 216.325 0.868 20 0 BCADHN Cc1nc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c[nH]1 ZINC000644817417 385618687 /nfs/dbraw/zinc/61/86/87/385618687.db2.gz HYEYQZABNBBMDV-MWLCHTKSSA-N 0 3 234.303 0.494 20 0 BCADHN CC[C@H](C)N(CCO)C[C@@H]1CN(C)C(=O)O1 ZINC000495593911 385620245 /nfs/dbraw/zinc/62/02/45/385620245.db2.gz LMQIBQLBQABKHD-UWVGGRQHSA-N 0 3 230.308 0.530 20 0 BCADHN CC[C@@H](C)N(CCO)C[C@@H]1CN(C)C(=O)O1 ZINC000495593914 385620915 /nfs/dbraw/zinc/62/09/15/385620915.db2.gz LMQIBQLBQABKHD-ZJUUUORDSA-N 0 3 230.308 0.530 20 0 BCADHN NC(C(=O)NCCC(F)(F)F)C(F)(F)F ZINC000336679307 385622497 /nfs/dbraw/zinc/62/24/97/385622497.db2.gz QXJNJVXHSMJGRA-GSVOUGTGSA-N 0 3 238.131 0.945 20 0 BCADHN C[C@@H](CN[C@@H](C)c1cn[nH]c1)N1CCOCC1 ZINC000280953192 385622688 /nfs/dbraw/zinc/62/26/88/385622688.db2.gz IXQDHCCCXXVNQH-QWRGUYRKSA-N 0 3 238.335 0.781 20 0 BCADHN OCCN1CCN([C@H]2C=CCCC2)CC1 ZINC000066472145 385622574 /nfs/dbraw/zinc/62/25/74/385622574.db2.gz HAQOZVBGXRTQGA-LBPRGKRZSA-N 0 3 210.321 0.705 20 0 BCADHN Cc1nocc1CNC[C@@]1(O)CCSC1 ZINC000293503406 385623379 /nfs/dbraw/zinc/62/33/79/385623379.db2.gz HMNRUUQTOPBGQC-JTQLQIEISA-N 0 3 228.317 0.941 20 0 BCADHN COC[C@H](C)NCC1(S(C)(=O)=O)CCCC1 ZINC000309498139 385623394 /nfs/dbraw/zinc/62/33/94/385623394.db2.gz ZALDYTUPYXRPOT-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN Cc1ccncc1CNC[C@@H](O)c1cnn(C)c1 ZINC000280982190 385625505 /nfs/dbraw/zinc/62/55/05/385625505.db2.gz UMCMHBIPESCERV-CYBMUJFWSA-N 0 3 246.314 0.947 20 0 BCADHN CCONC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000365187308 385630676 /nfs/dbraw/zinc/63/06/76/385630676.db2.gz RLXNLSUPSRJBNH-VHSXEESVSA-N 0 3 243.307 0.100 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CCCN(CC)CC1 ZINC000365187611 385633607 /nfs/dbraw/zinc/63/36/07/385633607.db2.gz UAWDPHDYABMMBC-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN C[C@H](Cn1cccn1)N[C@H](C)C(=O)NCCF ZINC000337398256 385634824 /nfs/dbraw/zinc/63/48/24/385634824.db2.gz CJZJSEJSRFOOEP-NXEZZACHSA-N 0 3 242.298 0.335 20 0 BCADHN COC[C@@H](NCCF)C1CCOCC1 ZINC000336650534 385607531 /nfs/dbraw/zinc/60/75/31/385607531.db2.gz IVBVZCPAPNDITA-SNVBAGLBSA-N 0 3 205.273 0.987 20 0 BCADHN COC[C@@H]1CCCN([C@@H]2CCN(C)C2=O)CC1 ZINC000334689023 385608091 /nfs/dbraw/zinc/60/80/91/385608091.db2.gz IPAKVSQASAAYNS-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1nccn1CCN1CCn2cncc2C1 ZINC000647939596 385664159 /nfs/dbraw/zinc/66/41/59/385664159.db2.gz TYPWXPVSIAQFIQ-UHFFFAOYSA-N 0 3 231.303 0.904 20 0 BCADHN CCN(C)CCNC(=O)c1ccc(F)cn1 ZINC000182396921 385664860 /nfs/dbraw/zinc/66/48/60/385664860.db2.gz XXWGGPCPFHZKCO-UHFFFAOYSA-N 0 3 225.267 0.902 20 0 BCADHN Cc1cnc(C(=O)NC2(CN(C)C)CCC2)cn1 ZINC000281124341 385638344 /nfs/dbraw/zinc/63/83/44/385638344.db2.gz SMJSDQRKRHTJMI-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN CC(C)(C)[C@@H](CCO)NCC(=O)N1CCC1 ZINC000336681887 385639144 /nfs/dbraw/zinc/63/91/44/385639144.db2.gz RURWLTSKKNMOAM-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN O=C(CCn1cccn1)NC[C@@H]1C[C@H](F)CN1 ZINC000366564871 385639340 /nfs/dbraw/zinc/63/93/40/385639340.db2.gz HLRLUMIMDAUXMA-UWVGGRQHSA-N 0 3 240.282 0.089 20 0 BCADHN Cc1noc([C@]2(O)CCN(C3CCC3)C2)n1 ZINC000365700991 385640471 /nfs/dbraw/zinc/64/04/71/385640471.db2.gz JAUGKUHOBCVFOI-NSHDSACASA-N 0 3 223.276 0.824 20 0 BCADHN OCC[C@H]1CCCN1C[C@@H](O)C(F)(F)F ZINC000336682262 385641961 /nfs/dbraw/zinc/64/19/61/385641961.db2.gz JIXXBKVSDHAGAK-HTQZYQBOSA-N 0 3 227.226 0.756 20 0 BCADHN Cc1nnsc1CNC[C@H](C)CO ZINC000308336297 385642153 /nfs/dbraw/zinc/64/21/53/385642153.db2.gz OFDWUMNDCWUSJY-LURJTMIESA-N 0 3 201.295 0.565 20 0 BCADHN CC[C@H](CO)NCc1snnc1C ZINC000308339353 385643331 /nfs/dbraw/zinc/64/33/31/385643331.db2.gz PZMWTGZYZCNKIR-SSDOTTSWSA-N 0 3 201.295 0.707 20 0 BCADHN Cc1ocnc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644822339 385643752 /nfs/dbraw/zinc/64/37/52/385643752.db2.gz RNQGCQJFLHYEKL-UWVGGRQHSA-N 0 3 235.287 0.759 20 0 BCADHN CCCOCC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644822280 385644112 /nfs/dbraw/zinc/64/41/12/385644112.db2.gz QRYQGUYUDBWOHK-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000337418084 385644155 /nfs/dbraw/zinc/64/41/55/385644155.db2.gz SLLYIOMEUFUXPE-RYUDHWBXSA-N 0 3 241.379 0.927 20 0 BCADHN CO[C@@H](C)CN1CCc2nn(C)c(=O)cc2C1 ZINC000182203516 385644875 /nfs/dbraw/zinc/64/48/75/385644875.db2.gz GZYOLNLTWCINMX-VIFPVBQESA-N 0 3 237.303 0.173 20 0 BCADHN C=Cn1cc(CN2CC[C@@](C)(C(=O)NC)C2)cn1 ZINC000281213244 385644924 /nfs/dbraw/zinc/64/49/24/385644924.db2.gz UKHAVDSHUKTOEX-CYBMUJFWSA-N 0 3 248.330 0.942 20 0 BCADHN Cn1ccc(CC(=O)N2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000644822375 385645037 /nfs/dbraw/zinc/64/50/37/385645037.db2.gz KDHRIVSAGFGKIE-CMPLNLGQSA-N 0 3 248.330 0.125 20 0 BCADHN Cc1c(CN[C@H]2CN(C)C[C@@H]2C)cnn1C ZINC000309512209 385646572 /nfs/dbraw/zinc/64/65/72/385646572.db2.gz XSLYPYCYLFNENX-CABZTGNLSA-N 0 3 222.336 0.768 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000336682938 385646719 /nfs/dbraw/zinc/64/67/19/385646719.db2.gz YUHCMAMOUKOEAJ-SFYZADRCSA-N 0 3 236.262 0.606 20 0 BCADHN CN(CCO)C[C@@H](O)CCc1ccccc1 ZINC000182229737 385646891 /nfs/dbraw/zinc/64/68/91/385646891.db2.gz HEPNWLPEPYMEJD-ZDUSSCGKSA-N 0 3 223.316 0.904 20 0 BCADHN CC(C)[C@H](O)CN1CCCC[C@@]1(C)C(N)=O ZINC000366591371 385648902 /nfs/dbraw/zinc/64/89/02/385648902.db2.gz LATDLMCLSSXFOH-PWSUYJOCSA-N 0 3 228.336 0.733 20 0 BCADHN C[C@H](C(=O)NC1CC1)N(C)[C@@H]1CCCC[C@H]1O ZINC000252926527 385665539 /nfs/dbraw/zinc/66/55/39/385665539.db2.gz OBDXDKJBRPBZMH-YUSALJHKSA-N 0 3 240.347 0.889 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)n(C)n1 ZINC000644823324 385649635 /nfs/dbraw/zinc/64/96/35/385649635.db2.gz NNKAKADWQNDXES-PWSUYJOCSA-N 0 3 248.330 0.505 20 0 BCADHN C[C@H](C[S@](C)=O)NCC1=CCCOC1 ZINC000336652360 385649922 /nfs/dbraw/zinc/64/99/22/385649922.db2.gz KTMUEGPVGURJBZ-OTYXRUKQSA-N 0 3 217.334 0.690 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644823600 385652716 /nfs/dbraw/zinc/65/27/16/385652716.db2.gz OTGSWPALSTYCBD-YTWAJWBKSA-N 0 3 208.305 0.805 20 0 BCADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1C[C@@H]1CN(C)C(=O)O1 ZINC000495663052 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226.320 0.524 20 0 BCADHN CC(C)CCNC(=O)[C@@H](C)N1CCNCC1 ZINC000019977199 385708965 /nfs/dbraw/zinc/70/89/65/385708965.db2.gz KKPLFAQRLPJYDK-LLVKDONJSA-N 0 3 227.352 0.442 20 0 BCADHN CO[C@@H]1[C@H](C)[C@H](N[C@@H]2CCNC2=O)C1(C)C ZINC000309575991 385709347 /nfs/dbraw/zinc/70/93/47/385709347.db2.gz OXDWFQSFCVOZJO-DOLQZWNJSA-N 0 3 226.320 0.524 20 0 BCADHN CN(C)CC1(NC(=O)Cc2cc[nH]n2)CCC1 ZINC000281866779 385710285 /nfs/dbraw/zinc/71/02/85/385710285.db2.gz ZENPUTGXVFIHRP-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000337565442 385710575 /nfs/dbraw/zinc/71/05/75/385710575.db2.gz PZXCEYNDOJPUQJ-JZYVYDRUSA-N 0 3 212.293 0.089 20 0 BCADHN C[C@H](CO)CCCNC(=O)/C=C/CN(C)C ZINC000270505386 385712573 /nfs/dbraw/zinc/71/25/73/385712573.db2.gz WYZAXHTVTPLIEW-ZRQQLDRUSA-N 0 3 228.336 0.629 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCOC[C@@H]1C ZINC000337580542 385715154 /nfs/dbraw/zinc/71/51/54/385715154.db2.gz BNOLXNUYTZLNON-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN 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385747741 /nfs/dbraw/zinc/74/77/41/385747741.db2.gz DLVRLWPIUHVNLG-WDEREUQCSA-N 0 3 240.347 0.890 20 0 BCADHN CC[C@H](NC(=O)C12CCCN1CCC2)[C@@H](C)O ZINC000408462505 385747908 /nfs/dbraw/zinc/74/79/08/385747908.db2.gz DLVRLWPIUHVNLG-MNOVXSKESA-N 0 3 240.347 0.890 20 0 BCADHN COC[C@H](O)CN[C@@H](CO)c1ccsc1 ZINC000336656649 385786559 /nfs/dbraw/zinc/78/65/59/385786559.db2.gz AKSZOIGQIDIDJR-ZJUUUORDSA-N 0 3 231.317 0.378 20 0 BCADHN O=C1CCCN1[C@@H]1CCN(CCn2cccn2)C1 ZINC000270880268 385755854 /nfs/dbraw/zinc/75/58/54/385755854.db2.gz KDERHLWDSGMQQU-GFCCVEGCSA-N 0 3 248.330 0.580 20 0 BCADHN Cc1nnc(CCNCc2cnn(C)c2)s1 ZINC000336736887 385756148 /nfs/dbraw/zinc/75/61/48/385756148.db2.gz NCAUMYDOXKWOAP-UHFFFAOYSA-N 0 3 237.332 0.912 20 0 BCADHN Cc1cnc(CNC[C@@H]2CCC[C@H]2O)n1C ZINC000336736902 385756166 /nfs/dbraw/zinc/75/61/66/385756166.db2.gz NDMGJNKCYHOAII-WDEREUQCSA-N 0 3 223.320 0.979 20 0 BCADHN CC[C@H](NC[C@]1(O)CCOC1)c1nccn1C ZINC000183391268 385758133 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0.867 20 0 BCADHN COC[C@@H](O)CNC/C=C/c1ccncc1 ZINC000309670672 385785015 /nfs/dbraw/zinc/78/50/15/385785015.db2.gz VVVZQUKPRPBGHE-JDGPPOGSSA-N 0 3 222.288 0.692 20 0 BCADHN COC[C@@H](O)CNC/C=C\c1ccncc1 ZINC000309670670 385785032 /nfs/dbraw/zinc/78/50/32/385785032.db2.gz VVVZQUKPRPBGHE-DLGQBQFBSA-N 0 3 222.288 0.692 20 0 BCADHN COCCCN(C)[C@H](C)C[S@@](C)=O ZINC000185111556 385720114 /nfs/dbraw/zinc/72/01/14/385720114.db2.gz ROIUOMGPBRMESL-NOZJJQNGSA-N 0 3 207.339 0.722 20 0 BCADHN C[C@H](NC[C@@]1(O)CCN(C)C1)c1cncs1 ZINC000309590028 385720969 /nfs/dbraw/zinc/72/09/69/385720969.db2.gz UNLDDVXFPZMMPI-ONGXEEELSA-N 0 3 241.360 0.860 20 0 BCADHN CN(C)c1ncc(CNCCC(C)(C)O)n1C ZINC000336690341 385723644 /nfs/dbraw/zinc/72/36/44/385723644.db2.gz HGMMELNUFBCTCJ-UHFFFAOYSA-N 0 3 240.351 0.737 20 0 BCADHN C[C@@H](CO)[C@H](C)NCC(=O)NCC1CCC1 ZINC000309596497 385725541 /nfs/dbraw/zinc/72/55/41/385725541.db2.gz WJNVCQKIFCAHMA-UWVGGRQHSA-N 0 3 228.336 0.509 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)c1nncn1C ZINC000337599434 385725913 /nfs/dbraw/zinc/72/59/13/385725913.db2.gz MSNWIHWSQMZUIR-VIFPVBQESA-N 0 3 239.323 0.334 20 0 BCADHN CN1CC=C(CNC(=O)c2ccnnc2)CC1 ZINC000271868574 385856385 /nfs/dbraw/zinc/85/63/85/385856385.db2.gz LGZGCWGZGCMCSM-UHFFFAOYSA-N 0 3 232.287 0.468 20 0 BCADHN CN(C)CCn1nccc1NC(=O)c1ccon1 ZINC000294075655 385800339 /nfs/dbraw/zinc/80/03/39/385800339.db2.gz NACILKZADGBZHD-UHFFFAOYSA-N 0 3 249.274 0.685 20 0 BCADHN CCN(CCCO)Cc1cnn(CCOC)c1 ZINC000271180151 385800985 /nfs/dbraw/zinc/80/09/85/385800985.db2.gz HKHUKIYNCQYOLY-UHFFFAOYSA-N 0 3 241.335 0.734 20 0 BCADHN COCC[C@H](C)NC(=O)[C@@H](N)C1CCOCC1 ZINC000337833181 385802718 /nfs/dbraw/zinc/80/27/18/385802718.db2.gz SZVOUCZSJNIMQV-ONGXEEELSA-N 0 3 244.335 0.282 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCC[C@@H]1O ZINC000162261213 385806140 /nfs/dbraw/zinc/80/61/40/385806140.db2.gz IRSZOXZELAQXHY-AXFHLTTASA-N 0 3 249.376 0.703 20 0 BCADHN Cn1cc(CCN2CCC[C@@](C)(O)C2)cn1 ZINC000231645664 385809462 /nfs/dbraw/zinc/80/94/62/385809462.db2.gz PNSZYISVZFEZMD-GFCCVEGCSA-N 0 3 223.320 0.809 20 0 BCADHN CCN(C)CCNC(=O)c1ccc2nc[nH]c2n1 ZINC000271248385 385810857 /nfs/dbraw/zinc/81/08/57/385810857.db2.gz GUHZAQTXFWXECD-UHFFFAOYSA-N 0 3 247.302 0.639 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@](C)(O)C(C)C ZINC000336714764 385812359 /nfs/dbraw/zinc/81/23/59/385812359.db2.gz WFYOMCWMBRSBRN-GXSJLCMTSA-N 0 3 216.325 0.493 20 0 BCADHN CC[C@H](O)CN(C)CCc1cnccn1 ZINC000271295771 385814359 /nfs/dbraw/zinc/81/43/59/385814359.db2.gz DDQPEOYSUFLFAS-NSHDSACASA-N 0 3 209.293 0.722 20 0 BCADHN CO[C@@H](C)CCNC[C@H](C)S(C)(=O)=O ZINC000521426743 385814470 /nfs/dbraw/zinc/81/44/70/385814470.db2.gz NYKFPWWAFBPSLU-IUCAKERBSA-N 0 3 223.338 0.434 20 0 BCADHN C1C[C@H](NC2COCCOC2)CS1 ZINC000306999770 385815462 /nfs/dbraw/zinc/81/54/62/385815462.db2.gz BTBJQZRXLACDRA-QMMMGPOBSA-N 0 3 203.307 0.497 20 0 BCADHN CC[C@@H](O)CN(C)CCc1cnccn1 ZINC000271295770 385815736 /nfs/dbraw/zinc/81/57/36/385815736.db2.gz DDQPEOYSUFLFAS-LLVKDONJSA-N 0 3 209.293 0.722 20 0 BCADHN C[C@@H](C(=O)N(C)C)N(C)CC1(N(C)C)CCC1 ZINC000186947362 385816986 /nfs/dbraw/zinc/81/69/86/385816986.db2.gz ONPFXIHMHAWQEE-NSHDSACASA-N 0 3 241.379 0.879 20 0 BCADHN CCC1(CN[C@@H](C)CS(=O)(=O)CC)COC1 ZINC000336741436 385857366 /nfs/dbraw/zinc/85/73/66/385857366.db2.gz RBANUJCJQUFCQJ-JTQLQIEISA-N 0 3 249.376 0.826 20 0 BCADHN COC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)N ZINC000340182686 385826113 /nfs/dbraw/zinc/82/61/13/385826113.db2.gz DBKAOVOHSXWKTM-ZYHUDNBSSA-N 0 3 236.315 0.708 20 0 BCADHN CCN(CC)CC(=O)NCCc1ccon1 ZINC000271444422 385828978 /nfs/dbraw/zinc/82/89/78/385828978.db2.gz QHSIQCGWBKTGEA-UHFFFAOYSA-N 0 3 225.292 0.675 20 0 BCADHN Nc1cc(CN2CCC(O)CC2)ccn1 ZINC000052709659 385830862 /nfs/dbraw/zinc/83/08/62/385830862.db2.gz XWDPNVIHPNNCLF-UHFFFAOYSA-N 0 3 207.277 0.621 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000365897953 385831771 /nfs/dbraw/zinc/83/17/71/385831771.db2.gz SGOMCUIMVWXQRY-SRVKXCTJSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(=O)n(C)n1 ZINC000413218733 385832207 /nfs/dbraw/zinc/83/22/07/385832207.db2.gz JVJDSFRFOQLCHA-VHSXEESVSA-N 0 3 236.319 0.309 20 0 BCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)CO ZINC000294285945 385833251 /nfs/dbraw/zinc/83/32/51/385833251.db2.gz BTCKSWFMFMSQGA-LBPRGKRZSA-N 0 3 236.315 0.268 20 0 BCADHN C[C@H](C(=O)NCC1=CCN(C)CC1)n1cccn1 ZINC000271889628 385858168 /nfs/dbraw/zinc/85/81/68/385858168.db2.gz OIFGRPTTWUQVFV-LLVKDONJSA-N 0 3 248.330 0.822 20 0 BCADHN C[C@H](N[C@H]1CN(C)C[C@@H]1C)C(=O)N(C)C ZINC000336738277 385835344 /nfs/dbraw/zinc/83/53/44/385835344.db2.gz RDDKQEOPPVHCFX-GUBZILKMSA-N 0 3 213.325 0.003 20 0 BCADHN CN(C)CCNC(=O)c1cnc(C2CC2)nc1 ZINC000294315564 385836143 /nfs/dbraw/zinc/83/61/43/385836143.db2.gz ZAYBKLAPQHRBGB-UHFFFAOYSA-N 0 3 234.303 0.645 20 0 BCADHN COC(=O)c1cn(CCNCc2cc[nH]c2)nn1 ZINC000283847855 385836130 /nfs/dbraw/zinc/83/61/30/385836130.db2.gz FSJMVQPYERLVPA-UHFFFAOYSA-N 0 3 249.274 0.183 20 0 BCADHN CCCCN(C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC000112309530 385836843 /nfs/dbraw/zinc/83/68/43/385836843.db2.gz WSDJTTIOKVVSFF-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CO[C@H](C[NH3+])CC(=O)Nc1ncccc1[O-] ZINC000232124768 385836944 /nfs/dbraw/zinc/83/69/44/385836944.db2.gz ZRIKJHWMHXSMMX-ZETCQYMHSA-N 0 3 225.248 0.090 20 0 BCADHN CC[C@@H](Cn1cncn1)NCc1ccnn1C ZINC000340462579 385842335 /nfs/dbraw/zinc/84/23/35/385842335.db2.gz JOMBIVGSTUNYBO-JTQLQIEISA-N 0 3 234.307 0.580 20 0 BCADHN C[C@H](NCc1ccnn1C)C(C)(C)n1cncn1 ZINC000340464339 385844278 /nfs/dbraw/zinc/84/42/78/385844278.db2.gz ODPAESWHFDCKGF-JTQLQIEISA-N 0 3 248.334 0.925 20 0 BCADHN CCCCN(C)CCNC(=O)NC[C@H](C)CO ZINC000112465162 385845053 /nfs/dbraw/zinc/84/50/53/385845053.db2.gz QWBADCFXDGIVBU-NSHDSACASA-N 0 3 245.367 0.646 20 0 BCADHN C[C@@H](NC[C@H](C)CS(C)(=O)=O)c1cn[nH]c1 ZINC000336741052 385846147 /nfs/dbraw/zinc/84/61/47/385846147.db2.gz MVXJDUUTLSMSLF-DTWKUNHWSA-N 0 3 245.348 0.741 20 0 BCADHN C[C@H](CN[C@@H](C)c1cn[nH]c1)CS(C)(=O)=O ZINC000336741051 385846589 /nfs/dbraw/zinc/84/65/89/385846589.db2.gz MVXJDUUTLSMSLF-BDAKNGLRSA-N 0 3 245.348 0.741 20 0 BCADHN CO[C@H](CNC(=O)Cc1nc[nH]c1C)C1CC1 ZINC000294405975 385846769 /nfs/dbraw/zinc/84/67/69/385846769.db2.gz FJEHJVOCWICLII-LLVKDONJSA-N 0 3 237.303 0.802 20 0 BCADHN CC[C@@H](C(=O)N[C@]1(C)CCOC1)N(C)C ZINC000413641193 385847384 /nfs/dbraw/zinc/84/73/84/385847384.db2.gz MYTULQBYCYOZET-GXSJLCMTSA-N 0 3 214.309 0.622 20 0 BCADHN CCN(CC)CC(=O)NCc1snnc1C ZINC000294439473 385850626 /nfs/dbraw/zinc/85/06/26/385850626.db2.gz ZBFKHDIFDKBLFV-UHFFFAOYSA-N 0 3 242.348 0.805 20 0 BCADHN CN1CC=C(CNC(=O)c2ccon2)CC1 ZINC000271804850 385850782 /nfs/dbraw/zinc/85/07/82/385850782.db2.gz DVIMKINKCVAVCQ-UHFFFAOYSA-N 0 3 221.260 0.666 20 0 BCADHN CS[C@H]1CN(Cc2ncc[nH]2)C[C@H]1N(C)C ZINC000271791172 385851231 /nfs/dbraw/zinc/85/12/31/385851231.db2.gz AIDGNQIPCNEYPV-ZJUUUORDSA-N 0 3 240.376 0.887 20 0 BCADHN CS[C@@H]1CN(Cc2ncc[nH]2)C[C@@H]1N(C)C ZINC000271791169 385851618 /nfs/dbraw/zinc/85/16/18/385851618.db2.gz AIDGNQIPCNEYPV-VHSXEESVSA-N 0 3 240.376 0.887 20 0 BCADHN CC(=O)c1ccccc1C(=O)N[C@@H](C)CN ZINC000262509975 385852061 /nfs/dbraw/zinc/85/20/61/385852061.db2.gz CRUVNYGGRBOICC-QMMMGPOBSA-N 0 3 220.272 0.966 20 0 BCADHN COCC[C@@H](C)CNC(=O)N(C)CCN(C)C ZINC000413662722 385853696 /nfs/dbraw/zinc/85/36/96/385853696.db2.gz VMTPPLCXQDMMCZ-LLVKDONJSA-N 0 3 245.367 0.862 20 0 BCADHN CSC[C@@H](O)CN(C)CC1(CO)CC1 ZINC000186758512 385788373 /nfs/dbraw/zinc/78/83/73/385788373.db2.gz JQIQIGNABGMHKN-VIFPVBQESA-N 0 3 219.350 0.415 20 0 BCADHN COC(=O)[C@H]1CCN(Cc2[nH]ncc2C)C1 ZINC000260177362 385790044 /nfs/dbraw/zinc/79/00/44/385790044.db2.gz UDBUPCNKRVMCKT-VIFPVBQESA-N 0 3 223.276 0.713 20 0 BCADHN Cc1nnc(N2CCN(C)[C@@H](C(C)C)C2)n1C ZINC000337817746 385793897 /nfs/dbraw/zinc/79/38/97/385793897.db2.gz POJBPYOQZIXQKF-LLVKDONJSA-N 0 3 237.351 0.900 20 0 BCADHN C[C@@](O)(CN1CC[C@H](CO)C1)C(F)(F)F ZINC000336709685 385794780 /nfs/dbraw/zinc/79/47/80/385794780.db2.gz SRDQSGJRQRGHLM-JGVFFNPUSA-N 0 3 227.226 0.614 20 0 BCADHN Cc1nnc(N2CCN(CC(C)C)CC2)n1C ZINC000337827526 385796144 /nfs/dbraw/zinc/79/61/44/385796144.db2.gz XCRHJVIMBIUJDA-UHFFFAOYSA-N 0 3 237.351 0.902 20 0 BCADHN O=C(CNC1CC1)NCCCc1ccccn1 ZINC000182649219 385884647 /nfs/dbraw/zinc/88/46/47/385884647.db2.gz CLOLVEYWXFWLJJ-UHFFFAOYSA-N 0 3 233.315 0.882 20 0 BCADHN CC1(C)CNCCN1C(=O)c1ccc(CN)o1 ZINC000647840260 385886520 /nfs/dbraw/zinc/88/65/20/385886520.db2.gz YPVQEFMFWVZTRD-UHFFFAOYSA-N 0 3 237.303 0.562 20 0 BCADHN CCN1CC[C@@H](NC(=O)N(C)[C@@H](C)COC)C1 ZINC000413814038 385888971 /nfs/dbraw/zinc/88/89/71/385888971.db2.gz FHGYQMFKAORDMQ-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN COc1ccc(CN2C[C@@H](C)[C@H](C(N)=O)C2)cn1 ZINC000285005048 385892858 /nfs/dbraw/zinc/89/28/58/385892858.db2.gz YVRSOWDSPDRFIR-MWLCHTKSSA-N 0 3 249.314 0.643 20 0 BCADHN COC(=O)CCCN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000123575979 385893247 /nfs/dbraw/zinc/89/32/47/385893247.db2.gz JERRSUAZBNJTAI-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@H](NC[C@@H](O)CN(C)C)c1ccncc1F ZINC000340479033 385895463 /nfs/dbraw/zinc/89/54/63/385895463.db2.gz UFZKWJMPINGOAT-VHSXEESVSA-N 0 3 241.310 0.794 20 0 BCADHN CCc1cc(=O)[n-]c(CN(C)CCC[NH3+])n1 ZINC000647848067 385898806 /nfs/dbraw/zinc/89/88/06/385898806.db2.gz BMRNSAJFYZOFAU-UHFFFAOYSA-N 0 3 224.308 0.525 20 0 BCADHN CCN(C)CCNC(=O)c1nn(CC)nc1C ZINC000294812586 385899491 /nfs/dbraw/zinc/89/94/91/385899491.db2.gz PVYVPPKKHUFXJQ-UHFFFAOYSA-N 0 3 239.323 0.288 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@@H]1CCN(CC)C1 ZINC000413858012 385900155 /nfs/dbraw/zinc/90/01/55/385900155.db2.gz LTBZHRCYCKTIAO-ZJUUUORDSA-N 0 3 229.324 0.151 20 0 BCADHN O=c1cc2c(n[nH]1)CCN(CCCCF)C2 ZINC000285139105 385900592 /nfs/dbraw/zinc/90/05/92/385900592.db2.gz ARUNWDAHTBQUJG-UHFFFAOYSA-N 0 3 225.267 0.878 20 0 BCADHN CN(C)CC1(NC(=O)c2cnn(C)n2)CCC1 ZINC000285126721 385900763 /nfs/dbraw/zinc/90/07/63/385900763.db2.gz XPTHITVRIHDHTB-UHFFFAOYSA-N 0 3 237.307 0.029 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H](CO)[C@@H]1CC)N(C)C ZINC000413857265 385901078 /nfs/dbraw/zinc/90/10/78/385901078.db2.gz LKGVWIBWMUEPBP-GRYCIOLGSA-N 0 3 242.363 0.946 20 0 BCADHN CCN(C(=O)N[C@@H]1CCN(CC)C1)C1COC1 ZINC000413860605 385903581 /nfs/dbraw/zinc/90/35/81/385903581.db2.gz OUYHVNISUGHTLI-SNVBAGLBSA-N 0 3 241.335 0.511 20 0 BCADHN CCCC[C@@H](N)C(=O)NC[C@@H](C)C(=O)OC ZINC000236753346 259677779 /nfs/dbraw/zinc/67/77/79/259677779.db2.gz BBXIZLOVGCOKOX-RKDXNWHRSA-N 0 3 230.308 0.429 20 0 BCADHN C[C@H]1C[C@H](NC(=O)CC(=O)N(C)C)CCN1C ZINC000408272752 385906232 /nfs/dbraw/zinc/90/62/32/385906232.db2.gz INMCEIIADKFJGY-VHSXEESVSA-N 0 3 241.335 0.064 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)C1(N)CCOCC1 ZINC000338154755 385906408 /nfs/dbraw/zinc/90/64/08/385906408.db2.gz SSPBOMDISFAPKU-VHSXEESVSA-N 0 3 244.335 0.018 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@H](OCc2ccccn2)C1 ZINC000272475961 385906883 /nfs/dbraw/zinc/90/68/83/385906883.db2.gz QWUXPXKVWILTKK-JQWIXIFHSA-N 0 3 249.314 0.546 20 0 BCADHN CCN(C)CCNC(=O)c1ccsn1 ZINC000294879582 385907928 /nfs/dbraw/zinc/90/79/28/385907928.db2.gz DIYOTDFSKQYJKK-UHFFFAOYSA-N 0 3 213.306 0.825 20 0 BCADHN Cc1nc(C(=O)N2C[C@@H](C)NC[C@H]2C)c[nH]1 ZINC000272515860 385908019 /nfs/dbraw/zinc/90/80/19/385908019.db2.gz HCKDIPZFALXMFV-HTQZYQBOSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1ncc(C(=O)N2C[C@@H](C)NC[C@H]2C)[nH]1 ZINC000272515860 385908022 /nfs/dbraw/zinc/90/80/22/385908022.db2.gz HCKDIPZFALXMFV-HTQZYQBOSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1cc(CC(=O)N2C[C@@H](C)NC[C@@H]2C)no1 ZINC000272509601 385908743 /nfs/dbraw/zinc/90/87/43/385908743.db2.gz FZQVINQJNQFYJZ-BDAKNGLRSA-N 0 3 237.303 0.734 20 0 BCADHN Cc1cc(CC(=O)N2C[C@H](C)NC[C@H]2C)no1 ZINC000272509604 385909328 /nfs/dbraw/zinc/90/93/28/385909328.db2.gz FZQVINQJNQFYJZ-DTWKUNHWSA-N 0 3 237.303 0.734 20 0 BCADHN COC(=O)CCN1CCC[C@](C)(O)C1 ZINC000122330951 385913221 /nfs/dbraw/zinc/91/32/21/385913221.db2.gz YOVXTZUBJHGPQR-JTQLQIEISA-N 0 3 201.266 0.396 20 0 BCADHN CC[C@H]1CN(CC(=O)N2CCCC2)C[C@H]1O ZINC000334441245 385929808 /nfs/dbraw/zinc/92/98/08/385929808.db2.gz ZJCFYBJXDXYREJ-WDEREUQCSA-N 0 3 226.320 0.312 20 0 BCADHN COCCn1cc(CNCCCCO)cn1 ZINC000336767962 385919557 /nfs/dbraw/zinc/91/95/57/385919557.db2.gz QGRNZIJAUOJXEV-UHFFFAOYSA-N 0 3 227.308 0.392 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000122492765 385920941 /nfs/dbraw/zinc/92/09/41/385920941.db2.gz KAEUANDPLNFNAE-KYXWUPHJSA-N 0 3 212.293 0.407 20 0 BCADHN C[C@@H](NC(=O)Cn1cccn1)C1=CCN(C)CC1 ZINC000272633888 385920921 /nfs/dbraw/zinc/92/09/21/385920921.db2.gz BSLJJVGJLWOWFH-LLVKDONJSA-N 0 3 248.330 0.650 20 0 BCADHN C[C@H](NC(=O)c1ccn[nH]1)C1=CCN(C)CC1 ZINC000272640982 385921136 /nfs/dbraw/zinc/92/11/36/385921136.db2.gz CPQFVQYKGYKMTA-VIFPVBQESA-N 0 3 234.303 0.790 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@@]3(C)C[C@@H]3F)C[C@@H]21 ZINC000424882784 385921154 /nfs/dbraw/zinc/92/11/54/385921154.db2.gz ZDMFBVOTDIBLJI-WDCWCFNPSA-N 0 3 226.295 0.897 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000122483459 385922901 /nfs/dbraw/zinc/92/29/01/385922901.db2.gz KAEUANDPLNFNAE-SGIHWFKDSA-N 0 3 212.293 0.407 20 0 BCADHN CO[C@]1(C)C[C@H](N(C)C(=O)CN)C1(C)C ZINC000121651810 385859940 /nfs/dbraw/zinc/85/99/40/385859940.db2.gz LZLWYUCXHHZODU-GZMMTYOYSA-N 0 3 214.309 0.607 20 0 BCADHN CO[C@@H](C)CN(C)C[C@H](O)COC(C)C ZINC000336720236 385862146 /nfs/dbraw/zinc/86/21/46/385862146.db2.gz ZQMOVVPBIATJIV-QWRGUYRKSA-N 0 3 219.325 0.739 20 0 BCADHN CCC[C@](C)(CO)NC(=O)[C@H](CC)N(C)C ZINC000413691538 385862690 /nfs/dbraw/zinc/86/26/90/385862690.db2.gz IFANYKMKVHADKS-CMPLNLGQSA-N 0 3 230.352 0.994 20 0 BCADHN CC(C)NC(=O)CCNC(=O)[C@H]1NCC1(C)C ZINC000647919407 385863402 /nfs/dbraw/zinc/86/34/02/385863402.db2.gz DHVXKXOLJORKHB-SNVBAGLBSA-N 0 3 241.335 0.015 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@H]1CCCOCC1 ZINC000271960209 385864197 /nfs/dbraw/zinc/86/41/97/385864197.db2.gz TZSBXXHAWYWZSD-ZXCPCRMDSA-N 0 3 226.320 0.790 20 0 BCADHN Cn1nccc1CCN[C@H](C(N)=O)C(C)(C)C ZINC000284341752 385864879 /nfs/dbraw/zinc/86/48/79/385864879.db2.gz JKCKYNBJQXOSPP-SNVBAGLBSA-N 0 3 238.335 0.452 20 0 BCADHN Cc1cn[nH]c1CNCCn1cncn1 ZINC000336741662 385866674 /nfs/dbraw/zinc/86/66/74/385866674.db2.gz VYTJFGUWRVUVRR-UHFFFAOYSA-N 0 3 206.253 0.099 20 0 BCADHN CCN(CC)CC(=O)N(C)Cc1ncon1 ZINC000272047644 385871320 /nfs/dbraw/zinc/87/13/20/385871320.db2.gz DHBLLZCMNZLHJZ-UHFFFAOYSA-N 0 3 226.280 0.370 20 0 BCADHN CC(C)(CC(N)=O)NCc1cncc(F)c1 ZINC000232526915 385875151 /nfs/dbraw/zinc/87/51/51/385875151.db2.gz GMJXHMIGFLHRQT-UHFFFAOYSA-N 0 3 225.267 0.964 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644841182 385878564 /nfs/dbraw/zinc/87/85/64/385878564.db2.gz OARTUIMHWUOHRR-WCQYABFASA-N 0 3 234.347 0.864 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)c1ncon1)N(C)C ZINC000272166956 385880565 /nfs/dbraw/zinc/88/05/65/385880565.db2.gz IQFZMYRZKVSYIT-YUMQZZPRSA-N 0 3 226.280 0.587 20 0 BCADHN COC[C@@](C)(CCO)NC(=O)/C=C/CN(C)C ZINC000272153951 385880926 /nfs/dbraw/zinc/88/09/26/385880926.db2.gz AYUNRCITNGYTJY-BTDICHCPSA-N 0 3 244.335 0.008 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](O)C[C@H]1C)N(C)C ZINC000413774544 385882304 /nfs/dbraw/zinc/88/23/04/385882304.db2.gz PGGKKXQXXPIKIO-KXUCPTDWSA-N 0 3 214.309 0.308 20 0 BCADHN Cc1c[nH]nc1CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000644842131 385882848 /nfs/dbraw/zinc/88/28/48/385882848.db2.gz VPIOHNYJONBMOC-JQWIXIFHSA-N 0 3 220.320 0.854 20 0 BCADHN C[C@@H]1CC[C@H](C)N(C(=O)C(=O)N(C)CCN)C1 ZINC000335019671 385978002 /nfs/dbraw/zinc/97/80/02/385978002.db2.gz ROHZHFFGJNEECA-ZJUUUORDSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCCN1C ZINC000338410911 385995158 /nfs/dbraw/zinc/99/51/58/385995158.db2.gz WOQCILZEOUVKMA-ZJUUUORDSA-N 0 3 249.314 1.000 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)C1(CO)CC1 ZINC000617903279 385988209 /nfs/dbraw/zinc/98/82/09/385988209.db2.gz PUTLKXPMVCHBDV-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H](O)CN1CCN(C[C@H]2CCCCO2)CC1 ZINC000189370940 385990632 /nfs/dbraw/zinc/99/06/32/385990632.db2.gz YCHIVASZKAKNEY-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H](O)CCN1CCN(CC[C@H](C)O)C[C@@H]1C ZINC000425416546 385992817 /nfs/dbraw/zinc/99/28/17/385992817.db2.gz LKRISOJDCSOGSL-RWMBFGLXSA-N 0 3 244.379 0.534 20 0 BCADHN CC[C@H]1CN(CC(=O)N2CCCC2)C[C@@H]1O ZINC000334441244 385931230 /nfs/dbraw/zinc/93/12/30/385931230.db2.gz ZJCFYBJXDXYREJ-QWRGUYRKSA-N 0 3 226.320 0.312 20 0 BCADHN CC[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O ZINC000334441242 385931313 /nfs/dbraw/zinc/93/13/13/385931313.db2.gz ZJCFYBJXDXYREJ-GHMZBOCLSA-N 0 3 226.320 0.312 20 0 BCADHN COc1ccc(CN(C)C(=O)CN)cc1C ZINC000057515061 385933642 /nfs/dbraw/zinc/93/36/42/385933642.db2.gz RYKHPWORGNHQQH-UHFFFAOYSA-N 0 3 222.288 0.921 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@H](CO)[C@H]1C ZINC000414053248 385933819 /nfs/dbraw/zinc/93/38/19/385933819.db2.gz JTHVFSOZDCVIRI-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](NC(=O)c1ccnnc1)C1=CCN(C)CC1 ZINC000272815101 385936559 /nfs/dbraw/zinc/93/65/59/385936559.db2.gz WPLKLAKXQWOGEX-SNVBAGLBSA-N 0 3 246.314 0.857 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@H](CO)[C@@H]1C ZINC000414021954 385939566 /nfs/dbraw/zinc/93/95/66/385939566.db2.gz BJJFMVKHEJTYET-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@@H](CO)[C@@H]1C ZINC000414023988 385940374 /nfs/dbraw/zinc/94/03/74/385940374.db2.gz CVGOGHSZEXZODB-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN Cn1cc(NC(=O)[C@H]2CNCCC2(F)F)cn1 ZINC000647982022 385941908 /nfs/dbraw/zinc/94/19/08/385941908.db2.gz QORYLMOYAXUKTQ-MRVPVSSYSA-N 0 3 244.245 0.603 20 0 BCADHN Cc1cc(C(=O)NC[C@H](C)N(C)C)nn1C ZINC000340209909 385942236 /nfs/dbraw/zinc/94/22/36/385942236.db2.gz XSPOFDIWPUIQLU-VIFPVBQESA-N 0 3 224.308 0.408 20 0 BCADHN CO[C@H](CN1CCNC(=O)CC1)C1CC1 ZINC000425392668 385942810 /nfs/dbraw/zinc/94/28/10/385942810.db2.gz HIXQYHFVQCIXKR-SNVBAGLBSA-N 0 3 212.293 0.233 20 0 BCADHN Cc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000335047734 385943121 /nfs/dbraw/zinc/94/31/21/385943121.db2.gz SAXSIUAASWQAOV-AWEZNQCLSA-N 0 3 248.326 0.791 20 0 BCADHN CC[C@@H](O)CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000645294792 385945810 /nfs/dbraw/zinc/94/58/10/385945810.db2.gz UJKOVZJRJKWHJK-MWLCHTKSSA-N 0 3 241.335 0.293 20 0 BCADHN C[C@@H](NCCO)c1ccccc1-n1ccnn1 ZINC000285587845 385947402 /nfs/dbraw/zinc/94/74/02/385947402.db2.gz IZUXMUXJTJSKKC-SNVBAGLBSA-N 0 3 232.287 0.910 20 0 BCADHN CO[C@@H](C)CN(C)CCc1cnccn1 ZINC000272953437 385955024 /nfs/dbraw/zinc/95/50/24/385955024.db2.gz MTRDCNKDFNVXFE-JTQLQIEISA-N 0 3 209.293 0.986 20 0 BCADHN C[C@@H]1CN(C(=O)C(=O)N(C)CCN)C(C)(C)C1 ZINC000335059713 385961594 /nfs/dbraw/zinc/96/15/94/385961594.db2.gz NNMBVPPNINZYQN-VIFPVBQESA-N 0 3 241.335 0.051 20 0 BCADHN CCNC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000309101916 385967888 /nfs/dbraw/zinc/96/78/88/385967888.db2.gz JUBPEJOHVATDKO-SNVBAGLBSA-N 0 3 211.309 0.742 20 0 BCADHN COc1nccnc1CNCC[C@H](C)CCO ZINC000295120741 385973213 /nfs/dbraw/zinc/97/32/13/385973213.db2.gz NEYSQTOUQBUCMP-JTQLQIEISA-N 0 3 239.319 0.983 20 0 BCADHN CC[C@H](Cn1cncn1)N[C@H](C)C(=O)N(C)C ZINC000340498225 386000546 /nfs/dbraw/zinc/00/05/46/386000546.db2.gz LAHCJUZFSPDHQT-NXEZZACHSA-N 0 3 239.323 0.123 20 0 BCADHN CC[C@](C)(O)CN1CCN(C[C@@H](C)O)CC1 ZINC000189385909 386001449 /nfs/dbraw/zinc/00/14/49/386001449.db2.gz KRAWNWHJZOPALV-NEPJUHHUSA-N 0 3 230.352 0.146 20 0 BCADHN COc1ccc(CN(C)CCC(N)=O)cn1 ZINC000286575319 386055825 /nfs/dbraw/zinc/05/58/25/386055825.db2.gz UWOOBOVEFQHDRF-UHFFFAOYSA-N 0 3 223.276 0.397 20 0 BCADHN COC[C@@H]1CCN1C(=O)CC1CCN(C)CC1 ZINC000354047362 386004440 /nfs/dbraw/zinc/00/44/40/386004440.db2.gz KMGKSPZDAZOTDG-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN COC[C@H](CC(C)C)NCC(=O)N(C)C ZINC000336751046 386005925 /nfs/dbraw/zinc/00/59/25/386005925.db2.gz FHYLCDNLCYGYKH-JTQLQIEISA-N 0 3 216.325 0.725 20 0 BCADHN Cc1cnn(C)c1CN[C@H](C)C[C@H](C)O ZINC000336750994 386006454 /nfs/dbraw/zinc/00/64/54/386006454.db2.gz GDRUBPPAZUEMOQ-ZJUUUORDSA-N 0 3 211.309 0.978 20 0 BCADHN CCN(CC)CC(=O)NC[C@H](C)C(=O)OC ZINC000338454422 386007692 /nfs/dbraw/zinc/00/76/92/386007692.db2.gz NVIMVESPIBYBHY-VIFPVBQESA-N 0 3 230.308 0.254 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000073933151 386007754 /nfs/dbraw/zinc/00/77/54/386007754.db2.gz OALSEFCTSGZXKJ-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CN(C)c1ccncc1C(=O)NCc1nc[nH]n1 ZINC000273521942 386009590 /nfs/dbraw/zinc/00/95/90/386009590.db2.gz BDUZDTVQCUAANW-UHFFFAOYSA-N 0 3 246.274 0.196 20 0 BCADHN CN(C)c1ccncc1C(=O)NCc1nnc[nH]1 ZINC000273521942 386009597 /nfs/dbraw/zinc/00/95/97/386009597.db2.gz BDUZDTVQCUAANW-UHFFFAOYSA-N 0 3 246.274 0.196 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)c1nnc(C)[nH]1)N(C)C ZINC000286222944 386010458 /nfs/dbraw/zinc/01/04/58/386010458.db2.gz CGFBXHWPDXFKTI-CBAPKCEASA-N 0 3 239.323 0.631 20 0 BCADHN COC[C@@H](NC[C@H](C)S(C)(=O)=O)C1CC1 ZINC000336752347 386013432 /nfs/dbraw/zinc/01/34/32/386013432.db2.gz GFVFZAIRZNTWIU-WCBMZHEXSA-N 0 3 235.349 0.434 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCC[C@@H]1CCO ZINC000187994608 386013763 /nfs/dbraw/zinc/01/37/63/386013763.db2.gz FCTYJZASJGUISD-GMTAPVOTSA-N 0 3 249.376 0.560 20 0 BCADHN CO[C@H]1CCCC[C@H]1C(=O)NCCN(C)C ZINC000338473143 386014763 /nfs/dbraw/zinc/01/47/63/386014763.db2.gz KWYSXCVODKPKIM-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN Cc1nnc2ccc(N[C@@H](C)CN(C)C)nn12 ZINC000286584399 386056429 /nfs/dbraw/zinc/05/64/29/386056429.db2.gz YMROUHSKERCUGR-QMMMGPOBSA-N 0 3 234.307 0.795 20 0 BCADHN CC[C@H]([NH3+])CNCc1nc(C)ccc1[O-] ZINC000414975340 386017953 /nfs/dbraw/zinc/01/79/53/386017953.db2.gz GDLCLYCNOQRNQT-VIFPVBQESA-N 0 3 209.293 0.923 20 0 BCADHN CCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000335071854 386021743 /nfs/dbraw/zinc/02/17/43/386021743.db2.gz FBYPPQOXYRLGFD-NXEZZACHSA-N 0 3 211.309 0.742 20 0 BCADHN C[C@@H](CNC(=O)c1cncnc1)N(C)C ZINC000273695420 386024431 /nfs/dbraw/zinc/02/44/31/386024431.db2.gz BWDHZGPCJOCJOS-QMMMGPOBSA-N 0 3 208.265 0.157 20 0 BCADHN COCC[C@H](C)NC(=O)N1CCCN(C)CC1 ZINC000338500407 386024544 /nfs/dbraw/zinc/02/45/44/386024544.db2.gz FYFWCJLBHJWACN-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN CC(C)OC1CC(NCC(=O)N(C)C)C1 ZINC000189560366 386024501 /nfs/dbraw/zinc/02/45/01/386024501.db2.gz GWHUNMMPGITQPA-UHFFFAOYSA-N 0 3 214.309 0.620 20 0 BCADHN COCCNC(=O)C1(N[C@H](C)[C@H]2C[C@H]2C)CC1 ZINC000414184115 386025748 /nfs/dbraw/zinc/02/57/48/386025748.db2.gz NNFPHQCLSKJLFZ-MXWKQRLJSA-N 0 3 240.347 0.916 20 0 BCADHN Cc1ccc([C@@H](O)CN(C)CCC(N)=O)cc1 ZINC000286325797 386025833 /nfs/dbraw/zinc/02/58/33/386025833.db2.gz FTEVRVAOEJKUCJ-LBPRGKRZSA-N 0 3 236.315 0.836 20 0 BCADHN COCCN1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000189554981 386026509 /nfs/dbraw/zinc/02/65/09/386026509.db2.gz HNDYUJYVYYBCMA-WDEREUQCSA-N 0 3 216.325 0.020 20 0 BCADHN CSCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000334423270 386031755 /nfs/dbraw/zinc/03/17/55/386031755.db2.gz VJGMTDJSUDUVKA-UWVGGRQHSA-N 0 3 228.361 0.902 20 0 BCADHN C[C@H]1C[C@H]1CNC(=O)N1CCCN(C)CC1 ZINC000334423228 386032293 /nfs/dbraw/zinc/03/22/93/386032293.db2.gz VHQGIKRYMGUOEO-QWRGUYRKSA-N 0 3 225.336 0.990 20 0 BCADHN Cc1nncn1CCNC(=O)[C@@H](N)C(C)(C)C ZINC000390895378 386037741 /nfs/dbraw/zinc/03/77/41/386037741.db2.gz OVOHOELTJIKLQF-SECBINFHSA-N 0 3 239.323 0.076 20 0 BCADHN COCC[C@@H](C)NCc1ccc(C(N)=O)nc1 ZINC000345170248 386038307 /nfs/dbraw/zinc/03/83/07/386038307.db2.gz BBMQYOISRIOVLX-SECBINFHSA-N 0 3 237.303 0.695 20 0 BCADHN C[C@@H](O)CN1CCC(O)(C(F)F)CC1 ZINC000334437337 386041640 /nfs/dbraw/zinc/04/16/40/386041640.db2.gz RBOQDBMFGYAURU-SSDOTTSWSA-N 0 3 209.236 0.459 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCC1 ZINC000334437383 386042672 /nfs/dbraw/zinc/04/26/72/386042672.db2.gz RGRCOSGMKLOOSF-VIFPVBQESA-N 0 3 209.293 0.638 20 0 BCADHN CCN(CCNC(=O)c1cncnc1)C1CC1 ZINC000273866025 386044949 /nfs/dbraw/zinc/04/49/49/386044949.db2.gz VKEBBTCNRIBYPP-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN C[C@H](O)CCN1C[C@H](C)N(C)C[C@@H]1C ZINC000425424680 386047845 /nfs/dbraw/zinc/04/78/45/386047845.db2.gz SOJBVUBRRQWQJP-DCAQKATOSA-N 0 3 200.326 0.782 20 0 BCADHN CN(CCC(N)=O)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000286542042 386049706 /nfs/dbraw/zinc/04/97/06/386049706.db2.gz RWTIUQTXENVUQO-YPMHNXCESA-N 0 3 234.299 0.452 20 0 BCADHN COC(=O)C[C@@]1(NCC[C@@H](C)O)CCOC1 ZINC000425435483 386052502 /nfs/dbraw/zinc/05/25/02/386052502.db2.gz SRJFONFOAJGJDB-KOLCDFICSA-N 0 3 231.292 0.069 20 0 BCADHN CO[C@@H](CN1CCN(CCO)[C@H](C)C1)C1CC1 ZINC000425433536 386053847 /nfs/dbraw/zinc/05/38/47/386053847.db2.gz NLBRLOVYENFYON-YPMHNXCESA-N 0 3 242.363 0.410 20 0 BCADHN CCC[C@H](C(=O)NC[C@@H](C)O)N(C)C ZINC000129346368 386054190 /nfs/dbraw/zinc/05/41/90/386054190.db2.gz BMFRLBRHEXYRFI-RKDXNWHRSA-N 0 3 202.298 0.214 20 0 BCADHN CC[C@@]1(CO)CCCN1CC(=O)N1CCCC1 ZINC000189662303 386055385 /nfs/dbraw/zinc/05/53/85/386055385.db2.gz WZDYGSYJWOPYMF-ZDUSSCGKSA-N 0 3 240.347 0.846 20 0 BCADHN CCN(C)CCNC(=O)NC[C@@H]1C[C@H]1C ZINC000338413607 385996467 /nfs/dbraw/zinc/99/64/67/385996467.db2.gz QCAVPIXSIWTYKN-ZJUUUORDSA-N 0 3 213.325 0.893 20 0 BCADHN C[C@@H]1CN(C(=O)Nc2ccncn2)[C@@H](C)CN1 ZINC000415536860 386101028 /nfs/dbraw/zinc/10/10/28/386101028.db2.gz YPULPIBRDCLVRA-BDAKNGLRSA-N 0 3 235.291 0.691 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cncnc1 ZINC000274583478 386123344 /nfs/dbraw/zinc/12/33/44/386123344.db2.gz OPDDERSPASIYEC-UHFFFAOYSA-N 0 3 234.303 0.643 20 0 BCADHN OC[C@H]1C[C@@H](O)CN1CCc1ccccc1F ZINC000274424415 386103407 /nfs/dbraw/zinc/10/34/07/386103407.db2.gz MARSTNZMHHBNJD-VXGBXAGGSA-N 0 3 239.290 0.796 20 0 BCADHN CCOC(=O)CC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345316012 386103872 /nfs/dbraw/zinc/10/38/72/386103872.db2.gz JXRPCXKSTIVZHM-NXEZZACHSA-N 0 3 242.319 0.539 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H](O)c1ccccc1 ZINC000287219293 386104851 /nfs/dbraw/zinc/10/48/51/386104851.db2.gz OLQDDXBHCIDOGD-CMPLNLGQSA-N 0 3 236.315 0.786 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@H](C)CO)N(CC)CC ZINC000338693397 386106855 /nfs/dbraw/zinc/10/68/55/386106855.db2.gz MTZPMVXWUNVUGU-MNOVXSKESA-N 0 3 230.352 0.946 20 0 BCADHN CCCCNC(=O)[C@H](C)N1CC[C@H]([C@@H](C)O)C1 ZINC000162753514 386107408 /nfs/dbraw/zinc/10/74/08/386107408.db2.gz KXVDDNAMCINVNM-TUAOUCFPSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1[C@@H](NCc2ccnn2C)CCCN1C ZINC000336729325 386107777 /nfs/dbraw/zinc/10/77/77/386107777.db2.gz CZZOTMQEKRTWRN-PWSUYJOCSA-N 0 3 222.336 0.992 20 0 BCADHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1nc[nH]n1 ZINC000287284761 386108120 /nfs/dbraw/zinc/10/81/20/386108120.db2.gz SXNHGXKANXYCPO-VHSXEESVSA-N 0 3 249.318 0.504 20 0 BCADHN CCN(CC)CC(=O)NCC[C@@H](C)OC ZINC000338695738 386108406 /nfs/dbraw/zinc/10/84/06/386108406.db2.gz JLXWDFJIBWYHNI-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN Cc1cc(C(=O)N[C@@H](C)CN(C)C)cnn1 ZINC000287279438 386109669 /nfs/dbraw/zinc/10/96/69/386109669.db2.gz SZDZNEYICVBWJZ-VIFPVBQESA-N 0 3 222.292 0.465 20 0 BCADHN CCN(C)CCNC(=O)[C@@H](N)c1ccccc1 ZINC000054133174 386111523 /nfs/dbraw/zinc/11/15/23/386111523.db2.gz IGGPGVLWCAMLJH-LBPRGKRZSA-N 0 3 235.331 0.754 20 0 BCADHN CCCNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000334500616 386113712 /nfs/dbraw/zinc/11/37/12/386113712.db2.gz WCFFHSIXWQYZKI-VHSXEESVSA-N 0 3 211.309 0.742 20 0 BCADHN Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN)c(C)c1 ZINC000415644317 386114304 /nfs/dbraw/zinc/11/43/04/386114304.db2.gz UVNFUPOGIXEFMW-JTQLQIEISA-N 0 3 249.314 0.705 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccc2c[nH]nc2c1 ZINC000345828505 386116557 /nfs/dbraw/zinc/11/65/57/386116557.db2.gz WUYCSXBETAGFEH-QMMMGPOBSA-N 0 3 232.287 0.916 20 0 BCADHN CC[C@H](O)CN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000336773464 386116748 /nfs/dbraw/zinc/11/67/48/386116748.db2.gz WDXZHIFGQRKIQH-HBNTYKKESA-N 0 3 249.376 0.703 20 0 BCADHN Cc1cccc(NC(=O)C(=O)N[C@H](C)CN)c1C ZINC000415605770 386116898 /nfs/dbraw/zinc/11/68/98/386116898.db2.gz XMGYYJFCBKNMNF-SECBINFHSA-N 0 3 249.314 0.705 20 0 BCADHN CCN1CC[C@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC000338732117 386117612 /nfs/dbraw/zinc/11/76/12/386117612.db2.gz FBZIIRKMQAQDJT-NWDGAFQWSA-N 0 3 248.330 0.776 20 0 BCADHN NC(C(=O)NC[C@@H]1CCC[C@@H]1O)C(F)(F)F ZINC000353181563 386118548 /nfs/dbraw/zinc/11/85/48/386118548.db2.gz MVJYPLDLEIMXKO-LYFYHCNISA-N 0 3 240.225 0.153 20 0 BCADHN CCN(CCCO)Cc1ccnc(N)c1 ZINC000124661323 386118842 /nfs/dbraw/zinc/11/88/42/386118842.db2.gz KOHFLCGYNBIKIS-UHFFFAOYSA-N 0 3 209.293 0.868 20 0 BCADHN Cc1cnc(C(=O)NCCN2CC[C@@H](C)C2)cn1 ZINC000525804358 386118840 /nfs/dbraw/zinc/11/88/40/386118840.db2.gz UFEYNSWKQKEPRX-SNVBAGLBSA-N 0 3 248.330 0.857 20 0 BCADHN CN(CCN1CCCC1)C(=O)Cc1ccon1 ZINC000345833075 386119315 /nfs/dbraw/zinc/11/93/15/386119315.db2.gz AIKHLKXQUCXZQA-UHFFFAOYSA-N 0 3 237.303 0.771 20 0 BCADHN C[C@@H](CO)N(C)CCO[C@@H]1CCCCO1 ZINC000124654956 386119634 /nfs/dbraw/zinc/11/96/34/386119634.db2.gz MNPPHAORLRVUPV-WDEREUQCSA-N 0 3 217.309 0.842 20 0 BCADHN Cn1cc(CN[C@@H]2CCC(=O)NC2(C)C)cn1 ZINC000334462285 386120272 /nfs/dbraw/zinc/12/02/72/386120272.db2.gz XNDOYYGORYICDJ-SNVBAGLBSA-N 0 3 236.319 0.567 20 0 BCADHN CN1CC[C@@H]2CN(Cc3nnc(C4CC4)[nH]3)C[C@@H]21 ZINC000451621252 386120841 /nfs/dbraw/zinc/12/08/41/386120841.db2.gz AKABRXYCVWOBDU-MNOVXSKESA-N 0 3 247.346 0.818 20 0 BCADHN CCN(CCO)CCNC(=O)c1cc[nH]c1C ZINC000274574287 386121111 /nfs/dbraw/zinc/12/11/11/386121111.db2.gz RKKGSTTVCYPKNV-UHFFFAOYSA-N 0 3 239.319 0.367 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCc1ncc[nH]1 ZINC000286607680 386058623 /nfs/dbraw/zinc/05/86/23/386058623.db2.gz ALHPDKGCACMGRL-VIFPVBQESA-N 0 3 224.308 0.409 20 0 BCADHN COCCN1CCN(CC[C@H]2CCOC2)CC1 ZINC000437583855 386059211 /nfs/dbraw/zinc/05/92/11/386059211.db2.gz ULZYTDRWMNKZJZ-ZDUSSCGKSA-N 0 3 242.363 0.677 20 0 BCADHN CC[C@@H]1CCCCN1CCNC(=O)[C@@H](C)O ZINC000345210088 386059751 /nfs/dbraw/zinc/05/97/51/386059751.db2.gz MIFBTXOFEYIRKE-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H](CCO)NC(=O)N[C@@H](C)CN(C)C ZINC000353495938 386061034 /nfs/dbraw/zinc/06/10/34/386061034.db2.gz AXBWLVGOOSXFMK-IUCAKERBSA-N 0 3 217.313 0.007 20 0 BCADHN O=C([C@H]1CN2CCN1CCC2)N1CC(C2CC2)C1 ZINC000643290537 386061027 /nfs/dbraw/zinc/06/10/27/386061027.db2.gz OWEHEMARJABZIY-CYBMUJFWSA-N 0 3 249.358 0.245 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cn(C)nn2)CCN1C ZINC000345210239 386061108 /nfs/dbraw/zinc/06/11/08/386061108.db2.gz YCUCTDGADDNNAC-RKDXNWHRSA-N 0 3 237.307 0.028 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H]1CCCOC1 ZINC000038046175 386121954 /nfs/dbraw/zinc/12/19/54/386121954.db2.gz LINZUCXUXPIRKR-RKDXNWHRSA-N 0 3 200.282 0.267 20 0 BCADHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@H](C)O ZINC000345214505 386063517 /nfs/dbraw/zinc/06/35/17/386063517.db2.gz BZXJDRKPLLHYBD-UWVGGRQHSA-N 0 3 216.325 0.460 20 0 BCADHN C[C@H](O)CCN1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000425465753 386063962 /nfs/dbraw/zinc/06/39/62/386063962.db2.gz AIOSXUXPIOKIBC-TUAOUCFPSA-N 0 3 229.320 0.637 20 0 BCADHN CC[C@H]1CN([C@@H]2CCN(C)C2=O)CCCO1 ZINC000334442895 386064231 /nfs/dbraw/zinc/06/42/31/386064231.db2.gz DERNADQZJQSWKV-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN CC(C)(C)[C@H]1CCN(C(=O)CN)C[C@H]1O ZINC000335027099 386066407 /nfs/dbraw/zinc/06/64/07/386066407.db2.gz OKNHWTQTRSRNAF-DTWKUNHWSA-N 0 3 214.309 0.201 20 0 BCADHN CCN(C[C@H](OC)C1CC1)[C@H]1CCNC1=O ZINC000425438938 386066937 /nfs/dbraw/zinc/06/69/37/386066937.db2.gz BLQPIRCPUPVUSX-QWRGUYRKSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](O)CN(CCCO)Cc1ccccn1 ZINC000286693691 386067494 /nfs/dbraw/zinc/06/74/94/386067494.db2.gz AWXQWDLANXYTEA-NSHDSACASA-N 0 3 224.304 0.647 20 0 BCADHN CCn1ccc(CN[C@H]2CN(C)C[C@H]2C)n1 ZINC000414213195 386068448 /nfs/dbraw/zinc/06/84/48/386068448.db2.gz TZHRWJNBBTVNMZ-PWSUYJOCSA-N 0 3 222.336 0.943 20 0 BCADHN CC[C@@H](COC)NC1(C(=O)NCCOC)CC1 ZINC000414213844 386068543 /nfs/dbraw/zinc/06/85/43/386068543.db2.gz RRNRMEPQOTUGGW-JTQLQIEISA-N 0 3 244.335 0.296 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cnc(C)nc1 ZINC000345839169 386122169 /nfs/dbraw/zinc/12/21/69/386122169.db2.gz GIZLEOVZGUZSHN-NEPJUHHUSA-N 0 3 248.330 0.789 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCC[C@@H]1CCO1 ZINC000638591012 386073149 /nfs/dbraw/zinc/07/31/49/386073149.db2.gz ZLPFWNMXTGLQIT-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCCOCC1)N(C)C ZINC000345843482 386124438 /nfs/dbraw/zinc/12/44/38/386124438.db2.gz JULZVMVSHKYJAP-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H]1CC[C@@H](C)N1CC(=O)NC(=O)NC ZINC000334445080 386076083 /nfs/dbraw/zinc/07/60/83/386076083.db2.gz FVUCXDWHFHMXRL-BDAKNGLRSA-N 0 3 227.308 0.705 20 0 BCADHN CC(C(=O)Nc1ncn(C)n1)C(F)(F)F ZINC000335961939 386080050 /nfs/dbraw/zinc/08/00/50/386080050.db2.gz ISSOXWPOCBAQSY-BYPYZUCNSA-N 0 3 222.170 0.952 20 0 BCADHN CCc1cc(C(=O)N[C@@H](C)CN(C)C)[nH]n1 ZINC000286880069 386081218 /nfs/dbraw/zinc/08/12/18/386081218.db2.gz FCIICKDTBSEUQZ-QMMMGPOBSA-N 0 3 224.308 0.652 20 0 BCADHN Cc1ccc(CC(=O)N[C@@H](C)CN(C)C)cn1 ZINC000286895254 386081455 /nfs/dbraw/zinc/08/14/55/386081455.db2.gz GNHSGEYNGPSDJW-NSHDSACASA-N 0 3 235.331 0.999 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Cc1ccncc1 ZINC000286904376 386084495 /nfs/dbraw/zinc/08/44/95/386084495.db2.gz HFMOUCWGXFHXOF-JTQLQIEISA-N 0 3 221.304 0.690 20 0 BCADHN CCCn1cc(C(=O)N[C@@H](C)CN(C)C)cn1 ZINC000286950768 386086848 /nfs/dbraw/zinc/08/68/48/386086848.db2.gz KONRBRUEQLBBBA-JTQLQIEISA-N 0 3 238.335 0.973 20 0 BCADHN CS[C@@H](C)CNC(=O)C(N)C(F)(F)F ZINC000336772858 386089291 /nfs/dbraw/zinc/08/92/91/386089291.db2.gz YKLJJVVENGVNDN-WHFBIAKZSA-N 0 3 230.255 0.744 20 0 BCADHN CCOC[C@H](N[C@@H](C)C(=O)NC(N)=O)C(C)C ZINC000189816215 386091142 /nfs/dbraw/zinc/09/11/42/386091142.db2.gz JVVKEUZVFYJULR-IUCAKERBSA-N 0 3 245.323 0.221 20 0 BCADHN C[C@@H](CO)N(C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000338654818 386091208 /nfs/dbraw/zinc/09/12/08/386091208.db2.gz ZNJRJOSFXBJGBA-VWYCJHECSA-N 0 3 243.351 0.491 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)Nc2cncnc2)C1 ZINC000274346392 386092316 /nfs/dbraw/zinc/09/23/16/386092316.db2.gz MCGBEGLYKIPFHR-JTQLQIEISA-N 0 3 235.291 0.644 20 0 BCADHN COC(=O)[C@@H](C)CC(=O)N1CCCN(C)CC1 ZINC000366146350 386123055 /nfs/dbraw/zinc/12/30/55/386123055.db2.gz VMLPZAKRIVOELG-JTQLQIEISA-N 0 3 242.319 0.350 20 0 BCADHN O=C(CN1CC[C@H](C2CC2)C1)N1CCOCC1 ZINC000334452635 386093237 /nfs/dbraw/zinc/09/32/37/386093237.db2.gz YWUFHIAOLNGLLL-LBPRGKRZSA-N 0 3 238.331 0.577 20 0 BCADHN C[C@@H](CO)N(C)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000338660093 386094371 /nfs/dbraw/zinc/09/43/71/386094371.db2.gz LZBRXYGLBIZLDN-AXFHLTTASA-N 0 3 243.351 0.491 20 0 BCADHN CC(C)N1CCCN(C(=O)C2(N)CC2)CC1 ZINC000334453439 386094987 /nfs/dbraw/zinc/09/49/87/386094987.db2.gz DJUFJGJWPUUZCO-UHFFFAOYSA-N 0 3 225.336 0.420 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](O)COC)N(CC)CC ZINC000338679152 386098364 /nfs/dbraw/zinc/09/83/64/386098364.db2.gz AIOSNRRCJMQKPY-QWRGUYRKSA-N 0 3 246.351 0.230 20 0 BCADHN CC1(C)CN(C(=O)Nc2cnns2)CCN1 ZINC000415545737 386099779 /nfs/dbraw/zinc/09/97/79/386099779.db2.gz LLRLACPAZVSQFJ-UHFFFAOYSA-N 0 3 241.320 0.754 20 0 BCADHN C[C@H](CCN1CCN(C)CC1)Nc1ncccn1 ZINC000274413669 386099961 /nfs/dbraw/zinc/09/99/61/386099961.db2.gz ASVNVEXWOKCVHY-GFCCVEGCSA-N 0 3 249.362 0.915 20 0 BCADHN C[C@@H](CCN1CCN(C)CC1)Nc1ncccn1 ZINC000274413671 386100146 /nfs/dbraw/zinc/10/01/46/386100146.db2.gz ASVNVEXWOKCVHY-LBPRGKRZSA-N 0 3 249.362 0.915 20 0 BCADHN Cn1ncnc1N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000647876153 386146531 /nfs/dbraw/zinc/14/65/31/386146531.db2.gz NPRFBICGYBFIKP-UWVGGRQHSA-N 0 3 221.308 0.346 20 0 BCADHN C[C@H](CCN(C)C)NC(=O)C(=O)c1ccc[nH]1 ZINC000296185426 386149435 /nfs/dbraw/zinc/14/94/35/386149435.db2.gz MGTVBDLYLSWXBY-SECBINFHSA-N 0 3 237.303 0.654 20 0 BCADHN CCc1ccccc1NC(=O)C(=O)N(C)CCN ZINC000415856860 386150369 /nfs/dbraw/zinc/15/03/69/386150369.db2.gz GDRXPCGRHPARQD-UHFFFAOYSA-N 0 3 249.314 0.605 20 0 BCADHN CC(C)C[C@H](N)C(=O)Nc1nncs1 ZINC000039407734 386151159 /nfs/dbraw/zinc/15/11/59/386151159.db2.gz KDIJRZLPNIBMLN-LURJTMIESA-N 0 3 214.294 0.850 20 0 BCADHN CCN1C[C@H](N[C@@H](C)C(=O)NC(C)C)[C@@H](C)C1 ZINC000414349364 386151743 /nfs/dbraw/zinc/15/17/43/386151743.db2.gz SRFRUPCJYKKHEF-SRVKXCTJSA-N 0 3 241.379 0.829 20 0 BCADHN Cc1cccc(C)c1NC(=O)C(=O)N(C)CCN ZINC000415877764 386152868 /nfs/dbraw/zinc/15/28/68/386152868.db2.gz JSPRAWZZRQZCEW-UHFFFAOYSA-N 0 3 249.314 0.659 20 0 BCADHN CCOCCO[C@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000346127613 386157245 /nfs/dbraw/zinc/15/72/45/386157245.db2.gz CKEFLODQRUDSLD-WDEREUQCSA-N 0 3 246.351 0.494 20 0 BCADHN CC(=O)CSCC(=O)N[C@@H](C)CN(C)C ZINC000346174289 386159931 /nfs/dbraw/zinc/15/99/31/386159931.db2.gz XXAZYSFQGLDJCC-QMMMGPOBSA-N 0 3 232.349 0.375 20 0 BCADHN CSCCN1CCc2n[nH]c(=O)cc2C1 ZINC000274882147 386160111 /nfs/dbraw/zinc/16/01/11/386160111.db2.gz NPWWAJSOKBJUCB-UHFFFAOYSA-N 0 3 225.317 0.491 20 0 BCADHN COC(=O)[C@@H](C)CC(=O)N[C@@H](C)CN(C)C ZINC000346135178 386162639 /nfs/dbraw/zinc/16/26/39/386162639.db2.gz CQKFSPSWSXVRHN-IUCAKERBSA-N 0 3 230.308 0.252 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2ccnc(N)c2)C1 ZINC000235382960 386162878 /nfs/dbraw/zinc/16/28/78/386162878.db2.gz FZAIYVJQNZAFHB-GFCCVEGCSA-N 0 3 234.303 0.361 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000346183576 386163347 /nfs/dbraw/zinc/16/33/47/386163347.db2.gz DCVQPAKFZZKXOX-OPRDCNLKSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1CCO[C@H](C)C1 ZINC000346132719 386163364 /nfs/dbraw/zinc/16/33/64/386163364.db2.gz AKOHCTRSXJDJJX-MXWKQRLJSA-N 0 3 228.336 0.868 20 0 BCADHN CS[C@H]1CN(Cc2cc[nH]n2)C[C@H]1N(C)C ZINC000296324115 386164012 /nfs/dbraw/zinc/16/40/12/386164012.db2.gz OOILUTFTLGYMCK-MNOVXSKESA-N 0 3 240.376 0.887 20 0 BCADHN CO[C@@H](C)CCC(=O)N[C@@H](C)CN(C)C ZINC000346136081 386165495 /nfs/dbraw/zinc/16/54/95/386165495.db2.gz DIORKHSNOPAXHC-UWVGGRQHSA-N 0 3 216.325 0.868 20 0 BCADHN CCCCOCC(=O)N[C@@H](C)CN(C)C ZINC000346140325 386165883 /nfs/dbraw/zinc/16/58/83/386165883.db2.gz PAACVOBHDYGQJP-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1C[C@]12CCOC2 ZINC000346139792 386166093 /nfs/dbraw/zinc/16/60/93/386166093.db2.gz OVQMJZJPKQGVJX-SCVCMEIPSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H](C)c1cn[nH]c1 ZINC000288076799 386166319 /nfs/dbraw/zinc/16/63/19/386166319.db2.gz VPAMTRVBKHFJEJ-IUCAKERBSA-N 0 3 239.323 0.720 20 0 BCADHN COC[C@H](O)CN[C@@H](C)c1ccnc(OC)c1 ZINC000340537317 386168850 /nfs/dbraw/zinc/16/88/50/386168850.db2.gz UWWAXJSLICHURR-GXSJLCMTSA-N 0 3 240.303 0.748 20 0 BCADHN CCCCNC(=O)CNC1(CO)CCOCC1 ZINC000069248516 386169186 /nfs/dbraw/zinc/16/91/86/386169186.db2.gz BCLGPWDGEOEXLF-UHFFFAOYSA-N 0 3 244.335 0.034 20 0 BCADHN COC(=O)C[C@@H](C)C(=O)N[C@H](C)CN(C)C ZINC000346157356 386170435 /nfs/dbraw/zinc/17/04/35/386170435.db2.gz KIPDNIHSINLHPB-RKDXNWHRSA-N 0 3 230.308 0.252 20 0 BCADHN CCOC[C@H](O)CN1CCN(CC2CC2)CC1 ZINC000069276959 386170721 /nfs/dbraw/zinc/17/07/21/386170721.db2.gz GMEROWJIWJTQQY-CYBMUJFWSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1ccn(C)c1 ZINC000346159018 386171524 /nfs/dbraw/zinc/17/15/24/386171524.db2.gz CZBNGLSMIARFEI-SECBINFHSA-N 0 3 209.293 0.705 20 0 BCADHN CSC[C@H](O)CNC1(C(N)=O)CCCCC1 ZINC000188076585 386171495 /nfs/dbraw/zinc/17/14/95/386171495.db2.gz GPXOACDIKZAQRG-SECBINFHSA-N 0 3 246.376 0.488 20 0 BCADHN COC(=O)C[C@@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000346157349 386172018 /nfs/dbraw/zinc/17/20/18/386172018.db2.gz KIPDNIHSINLHPB-BDAKNGLRSA-N 0 3 230.308 0.252 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1CCOC1 ZINC000346219183 386172823 /nfs/dbraw/zinc/17/28/23/386172823.db2.gz KJYKPNUATHXBAT-BDAKNGLRSA-N 0 3 200.282 0.089 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1[C@@H](C)C1(F)F ZINC000346219163 386173050 /nfs/dbraw/zinc/17/30/50/386173050.db2.gz KFYLEWPPBCVPCN-BWZBUEFSSA-N 0 3 220.263 0.954 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)COC[C@@H]1CCOC1 ZINC000346169493 386173292 /nfs/dbraw/zinc/17/32/92/386173292.db2.gz VJGJWMZTVQOPOJ-WDEREUQCSA-N 0 3 244.335 0.106 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cnc(C2CC2)[nH]1 ZINC000346167645 386174028 /nfs/dbraw/zinc/17/40/28/386174028.db2.gz SPOIOLXBVQCQLV-QMMMGPOBSA-N 0 3 236.319 0.967 20 0 BCADHN COC[C@@H](C)NC[C@H]1CCCCS1(=O)=O ZINC000336753971 386174550 /nfs/dbraw/zinc/17/45/50/386174550.db2.gz HEEGLKYGZUYECM-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CC1CCOCC1 ZINC000346222602 386175372 /nfs/dbraw/zinc/17/53/72/386175372.db2.gz LYQMCXNAVXJFLL-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN OCc1ccc(CNC2COCCOC2)cc1 ZINC000310358882 386175441 /nfs/dbraw/zinc/17/54/41/386175441.db2.gz JFPFTOHLWUYMMP-UHFFFAOYSA-N 0 3 237.299 0.684 20 0 BCADHN C[C@H](CN(C)C)NC(=O)CC1CCOCC1 ZINC000346222603 386175432 /nfs/dbraw/zinc/17/54/32/386175432.db2.gz LYQMCXNAVXJFLL-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CCN(CCNC(=O)c1cccc[n+]1[O-])C1CC1 ZINC000263801558 386176526 /nfs/dbraw/zinc/17/65/26/386176526.db2.gz ZKMUMEKJVWQQEH-UHFFFAOYSA-N 0 3 249.314 0.534 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@H](C)[C@H]1CO ZINC000346240744 386178482 /nfs/dbraw/zinc/17/84/82/386178482.db2.gz LWESDGFKOXIHGK-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN CCN(C)C(=O)CN1C[C@H](C)N(CC)C[C@H]1C ZINC000346193534 386183985 /nfs/dbraw/zinc/18/39/85/386183985.db2.gz QDHNPMXTZPFEJE-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CC[C@H](O)C1 ZINC000346202362 386184655 /nfs/dbraw/zinc/18/46/55/386184655.db2.gz UHNSTQGWMQEETK-BBBLOLIVSA-N 0 3 214.309 0.214 20 0 BCADHN CC(C)[C@@H]1CN([C@H]2COC[C@@H]2O)CCS1 ZINC000340276204 386184802 /nfs/dbraw/zinc/18/48/02/386184802.db2.gz DNFOJFPQXUVHKJ-DCAQKATOSA-N 0 3 231.361 0.820 20 0 BCADHN CCC[C@@](C)(O)CNC(=O)[C@@H](CC)N(C)C ZINC000338967942 386186867 /nfs/dbraw/zinc/18/68/67/386186867.db2.gz XQAMWGVCHMRECI-ZYHUDNBSSA-N 0 3 230.352 0.994 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1CCCOCC1 ZINC000346216065 386186857 /nfs/dbraw/zinc/18/68/57/386186857.db2.gz GLYQQSTYVYMSEK-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN C[C@@H](CN1CCOCC1)N[C@@H](C)c1cn[nH]c1 ZINC000275157890 386188280 /nfs/dbraw/zinc/18/82/80/386188280.db2.gz IDKLPRGAZSUKBD-QWRGUYRKSA-N 0 3 238.335 0.781 20 0 BCADHN CCN(CC)CC(=O)N1CCC([C@H](C)O)CC1 ZINC000346286096 386188983 /nfs/dbraw/zinc/18/89/83/386188983.db2.gz PQTJRZZOSUEPCL-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](O)CN(CCO)CCO[C@@H]1CCCCO1 ZINC000336729450 386126273 /nfs/dbraw/zinc/12/62/73/386126273.db2.gz XKEOLNKDOZKDGA-VXGBXAGGSA-N 0 3 247.335 0.205 20 0 BCADHN C[C@H](CNC(=O)CCc1ncc[nH]1)N(C)C ZINC000287468622 386126446 /nfs/dbraw/zinc/12/64/46/386126446.db2.gz YDJQRUNZGPELPY-SECBINFHSA-N 0 3 224.308 0.409 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCOC[C@H]1C)N(C)C ZINC000345850072 386126810 /nfs/dbraw/zinc/12/68/10/386126810.db2.gz QEXGJZOGQFTXDS-VWYCJHECSA-N 0 3 228.336 0.725 20 0 BCADHN Cc1noc(C)c1CN1[C@@H](CO)CC[C@@H]1CO ZINC000287515193 386130686 /nfs/dbraw/zinc/13/06/86/386130686.db2.gz UQXHKESFGCINIO-GHMZBOCLSA-N 0 3 240.303 0.609 20 0 BCADHN CCCOCC(=O)NCCN1CC[C@H](C)C1 ZINC000525805252 386132034 /nfs/dbraw/zinc/13/20/34/386132034.db2.gz GEADVZIAIWEBSJ-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN C[C@H](CN1CCOCC1)N[C@@H](C)c1cn[nH]c1 ZINC000275157171 386189152 /nfs/dbraw/zinc/18/91/52/386189152.db2.gz IDKLPRGAZSUKBD-MNOVXSKESA-N 0 3 238.335 0.781 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cc[nH]c(=O)c1 ZINC000235102630 386135633 /nfs/dbraw/zinc/13/56/33/386135633.db2.gz DREVXNMZNBUGBJ-QMMMGPOBSA-N 0 3 223.276 0.055 20 0 BCADHN CO[C@@H](CN1CC[C@H](NC(C)=O)C1)C1CC1 ZINC000425469678 386138105 /nfs/dbraw/zinc/13/81/05/386138105.db2.gz FVLUEGSOYSPDAC-RYUDHWBXSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1CN(c2ccnc(C(N)=O)c2)C[C@H](C)N1C ZINC000338787424 386138820 /nfs/dbraw/zinc/13/88/20/386138820.db2.gz RGUUSHCAAJCFJR-AOOOYVTPSA-N 0 3 248.330 0.709 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000262495378 386139093 /nfs/dbraw/zinc/13/90/93/386139093.db2.gz ZGXWNCDJLRMDLL-MRVPVSSYSA-N 0 3 222.292 0.641 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Nc1cncnc1 ZINC000287664118 386140137 /nfs/dbraw/zinc/14/01/37/386140137.db2.gz RTAJCNCZFXHLEW-QMMMGPOBSA-N 0 3 223.280 0.548 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1ccnc2[nH]cnc21 ZINC000346286397 386189537 /nfs/dbraw/zinc/18/95/37/386189537.db2.gz ZOHSIVXKNIWJCJ-MRVPVSSYSA-N 0 3 247.302 0.638 20 0 BCADHN CO[C@H](C)CN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000188127275 386189565 /nfs/dbraw/zinc/18/95/65/386189565.db2.gz IFUFEYUXBCEQOQ-VWYCJHECSA-N 0 3 249.376 0.967 20 0 BCADHN CC[C@H](O)CN1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000339118048 386259303 /nfs/dbraw/zinc/25/93/03/386259303.db2.gz DNLIFJJDROOJDL-GARJFASQSA-N 0 3 229.320 0.888 20 0 BCADHN COC(=O)CCN1CCC[C@H](C(=O)OC)C1 ZINC000097989570 386209317 /nfs/dbraw/zinc/20/93/17/386209317.db2.gz WKVGJBVCYPDOMO-VIFPVBQESA-N 0 3 229.276 0.435 20 0 BCADHN C[C@H](N(C)C(=O)/C=C/CN(C)C)C(C)(C)O ZINC000296877858 386210925 /nfs/dbraw/zinc/21/09/25/386210925.db2.gz KISGMDZUPKQXIZ-JARNTUPDSA-N 0 3 228.336 0.722 20 0 BCADHN Cc1nccn1C[C@H](C)CNCc1cn(C)nn1 ZINC000343190005 386214815 /nfs/dbraw/zinc/21/48/15/386214815.db2.gz CNADQMDAAXYYPS-SNVBAGLBSA-N 0 3 248.334 0.746 20 0 BCADHN CCN(C)CCNC(=O)NCc1nccn1C ZINC000264182306 386216083 /nfs/dbraw/zinc/21/60/83/386216083.db2.gz NJIDUFMLIIVSPC-UHFFFAOYSA-N 0 3 239.323 0.171 20 0 BCADHN C[C@@H](Cn1cccn1)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000275533839 386219905 /nfs/dbraw/zinc/21/99/05/386219905.db2.gz NYBMSNVKFNOFTB-LPEHRKFASA-N 0 3 240.282 0.088 20 0 BCADHN CCC1(CO)CCN([C@H]2COC[C@@H]2O)CC1 ZINC000340290013 386220075 /nfs/dbraw/zinc/22/00/75/386220075.db2.gz MKDKXZYQTVPEGL-QWRGUYRKSA-N 0 3 229.320 0.231 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)C1(C)COC1 ZINC000354084746 386225262 /nfs/dbraw/zinc/22/52/62/386225262.db2.gz ZMGZCEJFXQGABL-UHFFFAOYSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H]1CCCN(CC(=O)NC(C)(C)C)[C@@H]1CO ZINC000125181725 386225581 /nfs/dbraw/zinc/22/55/81/386225581.db2.gz HNYUOFVRKSLRIK-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCC[C@@H]1C(N)=O ZINC000340292384 386225608 /nfs/dbraw/zinc/22/56/08/386225608.db2.gz UERZMRBTEVUVJQ-RKDXNWHRSA-N 0 3 214.309 0.343 20 0 BCADHN CN(C)C1CN(C(=O)[C@@H]2CCCc3nccn32)C1 ZINC000365622053 386232567 /nfs/dbraw/zinc/23/25/67/386232567.db2.gz OFKBFTJNSFGLKR-NSHDSACASA-N 0 3 248.330 0.533 20 0 BCADHN C[C@H](CNC(=O)C1=COCCC1)N(C)C ZINC000264401459 386234899 /nfs/dbraw/zinc/23/48/99/386234899.db2.gz BZZNPUZFQBITKS-SECBINFHSA-N 0 3 212.293 0.747 20 0 BCADHN CCN(CCO)CCNC(=O)N[C@@H]1CC1(C)C ZINC000347121632 386234840 /nfs/dbraw/zinc/23/48/40/386234840.db2.gz BPZSVOUGLKSTMG-SNVBAGLBSA-N 0 3 243.351 0.398 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000638630536 386236406 /nfs/dbraw/zinc/23/64/06/386236406.db2.gz RXRURAQBSMKFLA-SVDPJWKOSA-N 0 3 228.336 0.913 20 0 BCADHN COC[C@H](NCCn1cncn1)[C@@H]1CCCO1 ZINC000347079938 386239575 /nfs/dbraw/zinc/23/95/75/386239575.db2.gz IHAVNOSFWSWPHU-QWRGUYRKSA-N 0 3 240.307 0.062 20 0 BCADHN C[C@@H](CNC(=O)Nc1ccn(C)n1)N(C)C ZINC000264462322 386239988 /nfs/dbraw/zinc/23/99/88/386239988.db2.gz PHOZXPMONQUAJA-QMMMGPOBSA-N 0 3 225.296 0.492 20 0 BCADHN CSc1cncc(N2CC(N(C)C)C2)n1 ZINC000132940611 386260693 /nfs/dbraw/zinc/26/06/93/386260693.db2.gz LYRQVSMSYHTAOC-UHFFFAOYSA-N 0 3 224.333 0.949 20 0 BCADHN C[C@@H](CC(C)(C)O)NC(=O)/C=C/CN(C)C ZINC000297309508 386240845 /nfs/dbraw/zinc/24/08/45/386240845.db2.gz VKKBKQUNLJEGCU-FGEFZZPRSA-N 0 3 228.336 0.770 20 0 BCADHN CN(CCNC(=O)Cc1cncs1)C1CC1 ZINC000275799359 386241807 /nfs/dbraw/zinc/24/18/07/386241807.db2.gz OPLVKSBTDKAXIX-UHFFFAOYSA-N 0 3 239.344 0.896 20 0 BCADHN CN(CC1CC1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000343198045 386242476 /nfs/dbraw/zinc/24/24/76/386242476.db2.gz TYVDBCMNJIBWSP-LBPRGKRZSA-N 0 3 237.347 0.245 20 0 BCADHN COC[C@@H](NC(=O)C1(N)CCCC1)C1CC1 ZINC000125382926 386242640 /nfs/dbraw/zinc/24/26/40/386242640.db2.gz YJQFJAPARCTQRH-SNVBAGLBSA-N 0 3 226.320 0.799 20 0 BCADHN Cc1nnccc1C(=O)NCC1(N(C)C)CCC1 ZINC000275838454 386243398 /nfs/dbraw/zinc/24/33/98/386243398.db2.gz GTPRZBVRTGPOHI-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN CC[C@H](O)CN1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000339095900 386243784 /nfs/dbraw/zinc/24/37/84/386243784.db2.gz PGQWMLSWZJHBLY-MNOVXSKESA-N 0 3 241.335 0.293 20 0 BCADHN CO[C@@H]1CN(CCc2cn[nH]c2)C[C@@H]1OC ZINC000297325398 386243880 /nfs/dbraw/zinc/24/38/80/386243880.db2.gz CMUGAKFFPMJUBO-PHIMTYICSA-N 0 3 225.292 0.298 20 0 BCADHN CSCCN(C)C[C@@H]1COCCO1 ZINC000336644005 386245355 /nfs/dbraw/zinc/24/53/55/386245355.db2.gz MSTPWVITCOGDFQ-SECBINFHSA-N 0 3 205.323 0.697 20 0 BCADHN C[C@@H]1OCCN(C(=O)C[C@@H]2CNCCO2)[C@H]1C ZINC000125327910 386247606 /nfs/dbraw/zinc/24/76/06/386247606.db2.gz PPSBPHOAHAFOJK-GARJFASQSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@@H](O)CN1CCSC[C@H]1CCO ZINC000336643173 386248319 /nfs/dbraw/zinc/24/83/19/386248319.db2.gz FPWIICQLYUZFIC-RKDXNWHRSA-N 0 3 205.323 0.167 20 0 BCADHN C[C@@H](CO)N(C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000132717769 386248714 /nfs/dbraw/zinc/24/87/14/386248714.db2.gz MLNCCKQCCQOKMD-UWVGGRQHSA-N 0 3 243.351 0.491 20 0 BCADHN CO[C@H]1CCN([C@H]2CCCCNC2=O)C1 ZINC000336647327 386258525 /nfs/dbraw/zinc/25/85/25/386258525.db2.gz MCBKIISMKJXSMM-UWVGGRQHSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CC[C@H](O)C1)N(C)C1CC1 ZINC000346294553 386191858 /nfs/dbraw/zinc/19/18/58/386191858.db2.gz GGWKKAGESXAKGR-SCVCMEIPSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@H](O)CCNC(=O)C1CCN(C)CC1 ZINC000346246263 386192297 /nfs/dbraw/zinc/19/22/97/386192297.db2.gz WEEYYORMHYDFHC-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN CCN(CCCc1ccncc1)CC(N)=O ZINC000355553410 386192902 /nfs/dbraw/zinc/19/29/02/386192902.db2.gz CTNYNDIXQULLBA-UHFFFAOYSA-N 0 3 221.304 0.821 20 0 BCADHN C[C@H](NCCCN1CCOC1=O)c1cn[nH]c1 ZINC000275244337 386196786 /nfs/dbraw/zinc/19/67/86/386196786.db2.gz XQBZCSFHPBGUOI-VIFPVBQESA-N 0 3 238.291 0.903 20 0 BCADHN C[C@@H](CNC(=O)c1cnsn1)N(C)C1CC1 ZINC000263962698 386197309 /nfs/dbraw/zinc/19/73/09/386197309.db2.gz YJHFUXZKGPHSHK-ZETCQYMHSA-N 0 3 240.332 0.751 20 0 BCADHN CC(C)(C)N(CC(N)=O)C[C@@H]1CCCO1 ZINC000131267977 386200026 /nfs/dbraw/zinc/20/00/26/386200026.db2.gz 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229.320 0.903 20 0 BCADHN C[C@@H](O)CN1CC[C@@H](Oc2ccncc2)C1 ZINC000336664253 386287779 /nfs/dbraw/zinc/28/77/79/386287779.db2.gz ZWDCIQSSWUQVPF-ZYHUDNBSSA-N 0 3 222.288 0.916 20 0 BCADHN CS[C@@H](C)C(=O)N[C@H](C)CN(C)C ZINC000336664579 386288018 /nfs/dbraw/zinc/28/80/18/386288018.db2.gz XHHOZEOCBMGGRZ-SFYZADRCSA-N 0 3 204.339 0.804 20 0 BCADHN CC(C)COC[C@@H](O)CN(CCO)C1CC1 ZINC000340586930 386288975 /nfs/dbraw/zinc/28/89/75/386288975.db2.gz HOCAISKXDIZOCL-LBPRGKRZSA-N 0 3 231.336 0.477 20 0 BCADHN CCCn1nc(C)c(CNC[C@H](O)CO)c1C ZINC000276239867 386290544 /nfs/dbraw/zinc/29/05/44/386290544.db2.gz BAQKGSNQECUFGQ-NSHDSACASA-N 0 3 241.335 0.353 20 0 BCADHN CCCn1nc(C)c(CNC[C@@H](O)CO)c1C ZINC000276239862 386291096 /nfs/dbraw/zinc/29/10/96/386291096.db2.gz BAQKGSNQECUFGQ-LLVKDONJSA-N 0 3 241.335 0.353 20 0 BCADHN CO[C@H](C)CN[C@H](Cc1ccccc1)C(N)=O ZINC000276271520 386292044 /nfs/dbraw/zinc/29/20/44/386292044.db2.gz ZKEWLNUQARRVKC-ZYHUDNBSSA-N 0 3 236.315 0.708 20 0 BCADHN 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ZINC000415005747 386302840 /nfs/dbraw/zinc/30/28/40/386302840.db2.gz RVLHIJSCMCDLGM-IUCAKERBSA-N 0 3 222.279 0.998 20 0 BCADHN CN(CCn1cncn1)[C@H]1CCSC1 ZINC000336673753 386305351 /nfs/dbraw/zinc/30/53/51/386305351.db2.gz PZUWMNRKKPLNSE-VIFPVBQESA-N 0 3 212.322 0.715 20 0 BCADHN CSC[C@H]1CCCN1CCN1CCNC1=O ZINC000336673408 386306467 /nfs/dbraw/zinc/30/64/67/386306467.db2.gz TUWXJYJDFRSFPH-SNVBAGLBSA-N 0 3 243.376 0.839 20 0 BCADHN COCCCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000416431410 386306927 /nfs/dbraw/zinc/30/69/27/386306927.db2.gz BAGSUYCDGBPUQT-UWVGGRQHSA-N 0 3 229.324 0.415 20 0 BCADHN COCCNC(=O)NC[C@H](N)c1ccccc1 ZINC000416432799 386308638 /nfs/dbraw/zinc/30/86/38/386308638.db2.gz LXADQOAWOYYXTN-NSHDSACASA-N 0 3 237.303 0.632 20 0 BCADHN CCOCCN1CCSC[C@@H]1CCO ZINC000336674867 386310465 /nfs/dbraw/zinc/31/04/65/386310465.db2.gz SJDVTDXKQPOQJL-JTQLQIEISA-N 0 3 219.350 0.823 20 0 BCADHN CCN(CCOC)C[C@H]1COCCO1 ZINC000336669476 386312894 /nfs/dbraw/zinc/31/28/94/386312894.db2.gz 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230.352 0.948 20 0 BCADHN CO[C@@H]1CN(CCN2CCNC2=O)CC[C@@H]1C ZINC000336678885 386317277 /nfs/dbraw/zinc/31/72/77/386317277.db2.gz DERPFVBSKOXRMH-WDEREUQCSA-N 0 3 241.335 0.368 20 0 BCADHN Cc1nn(C)cc1CN1CCNC[C@](C)(F)C1 ZINC000335260350 386317565 /nfs/dbraw/zinc/31/75/65/386317565.db2.gz ZVCSKPLXUYCCHH-LBPRGKRZSA-N 0 3 240.326 0.862 20 0 BCADHN Cc1nn(C)cc1CN1CCNC[C@@](C)(F)C1 ZINC000335260347 386317972 /nfs/dbraw/zinc/31/79/72/386317972.db2.gz ZVCSKPLXUYCCHH-GFCCVEGCSA-N 0 3 240.326 0.862 20 0 BCADHN CO[C@@H]1CN(CCN2CCNC2=O)CC[C@H]1C ZINC000336678879 386318771 /nfs/dbraw/zinc/31/87/71/386318771.db2.gz DERPFVBSKOXRMH-GHMZBOCLSA-N 0 3 241.335 0.368 20 0 BCADHN C[C@@H](CN1CCC[C@@H]1CCO)CS(C)(=O)=O ZINC000336678926 386319080 /nfs/dbraw/zinc/31/90/80/386319080.db2.gz WTHAHMBVPSYVRE-WDEREUQCSA-N 0 3 249.376 0.514 20 0 BCADHN COC(=O)C1(NC(=O)[C@@H](C)N)CCCCC1 ZINC000152090409 134493115 /nfs/dbraw/zinc/49/31/15/134493115.db2.gz FUWRJJSBFUYTFI-MRVPVSSYSA-N 0 3 228.292 0.326 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@H](C)Cn1ccnc1 ZINC000236872895 386319545 /nfs/dbraw/zinc/31/95/45/386319545.db2.gz OHNLHASXLILODF-QWRGUYRKSA-N 0 3 238.335 0.763 20 0 BCADHN C[C@H](CN1CCC[C@H]1CCO)CS(C)(=O)=O ZINC000336678921 386319770 /nfs/dbraw/zinc/31/97/70/386319770.db2.gz WTHAHMBVPSYVRE-MNOVXSKESA-N 0 3 249.376 0.514 20 0 BCADHN CO[C@H](CN)C(=O)NCc1ccc(C)cc1C ZINC000289503500 386320152 /nfs/dbraw/zinc/32/01/52/386320152.db2.gz HKIXCWORRMMUJM-GFCCVEGCSA-N 0 3 236.315 0.893 20 0 BCADHN C[C@H](CNC(=O)[C@@H](C)n1cccn1)N(C)C ZINC000298298334 386320412 /nfs/dbraw/zinc/32/04/12/386320412.db2.gz ASYPCCFOIVCVAU-NXEZZACHSA-N 0 3 224.308 0.510 20 0 BCADHN CCO[C@H]1C[C@H]1C(=O)NCCN(C)CCOC ZINC000339248364 386322348 /nfs/dbraw/zinc/32/23/48/386322348.db2.gz JLNQJNABLWUWNE-MNOVXSKESA-N 0 3 244.335 0.106 20 0 BCADHN CN(CCn1cccn1)CCC(C)(C)O ZINC000347287146 386322556 /nfs/dbraw/zinc/32/25/56/386322556.db2.gz PSRAZUATDGFVIL-UHFFFAOYSA-N 0 3 211.309 0.976 20 0 BCADHN CC[C@H](OC)C(=O)NCCN(C)CCOC ZINC000339246051 386322920 /nfs/dbraw/zinc/32/29/20/386322920.db2.gz NXBQBSFPSJZJME-JTQLQIEISA-N 0 3 232.324 0.106 20 0 BCADHN Cc1nc(CN2CCCN(C)CC2)no1 ZINC000336650856 386263051 /nfs/dbraw/zinc/26/30/51/386263051.db2.gz UBTYVLHXSWHKCL-UHFFFAOYSA-N 0 3 210.281 0.516 20 0 BCADHN CN(C)C1(CNC(=O)c2cccc[n+]2[O-])CCC1 ZINC000276020083 386263061 /nfs/dbraw/zinc/26/30/61/386263061.db2.gz QSGXRDAGCPCAMJ-UHFFFAOYSA-N 0 3 249.314 0.534 20 0 BCADHN CN(CCn1cccn1)CCn1cncn1 ZINC000264694736 386263912 /nfs/dbraw/zinc/26/39/12/386263912.db2.gz FYVHBOYCKIJMGX-UHFFFAOYSA-N 0 3 220.280 0.107 20 0 BCADHN Cc1cc(C(=O)N2CCC[C@H]2CN(C)C)cnn1 ZINC000276446503 386323697 /nfs/dbraw/zinc/32/36/97/386323697.db2.gz YXCAIHFXROTSDW-LBPRGKRZSA-N 0 3 248.330 0.951 20 0 BCADHN CN(C)C1(CNC(=O)c2cncs2)CC1 ZINC000416298651 386264877 /nfs/dbraw/zinc/26/48/77/386264877.db2.gz DKARWNVGJCAZEG-UHFFFAOYSA-N 0 3 225.317 0.967 20 0 BCADHN Cc1ncc(C(=O)NC[C@H](C)N(C)C2CC2)[nH]1 ZINC000264738557 386266582 /nfs/dbraw/zinc/26/65/82/386266582.db2.gz GGWVMMJPSHZXCV-QMMMGPOBSA-N 0 3 236.319 0.931 20 0 BCADHN Cc1ncc(C(=O)NC[C@@H](C)N(C)C2CC2)[nH]1 ZINC000264738556 386267918 /nfs/dbraw/zinc/26/79/18/386267918.db2.gz GGWVMMJPSHZXCV-MRVPVSSYSA-N 0 3 236.319 0.931 20 0 BCADHN Cc1cc(=O)[nH]c(C(=O)NC[C@@H]2CCCN2C)c1 ZINC000340306005 386268153 /nfs/dbraw/zinc/26/81/53/386268153.db2.gz NZOGNLZZHXFAOL-JTQLQIEISA-N 0 3 249.314 0.920 20 0 BCADHN COC[C@@H](O)CN(C)[C@@H](CO)c1ccccc1 ZINC000264756439 386268188 /nfs/dbraw/zinc/26/81/88/386268188.db2.gz HLIXUPIVULFSOI-STQMWFEESA-N 0 3 239.315 0.659 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2CCC[C@H](O)C2)CC1 ZINC000416308885 386270474 /nfs/dbraw/zinc/27/04/74/386270474.db2.gz SFUDTOMCEXXGCI-MNOVXSKESA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)[C@H](O)C(=O)NCC1(N(C)C)CC1 ZINC000416308860 386270479 /nfs/dbraw/zinc/27/04/79/386270479.db2.gz SEAIFPSFAMRRMC-VIFPVBQESA-N 0 3 214.309 0.214 20 0 BCADHN CO[C@H](C(=O)NCC1(N(C)C)CC1)C(C)C ZINC000416309020 386270513 /nfs/dbraw/zinc/27/05/13/386270513.db2.gz UAGMQMPAEIFJHA-JTQLQIEISA-N 0 3 228.336 0.868 20 0 BCADHN CN(CCNC(=O)NCc1ccncc1)C1CC1 ZINC000264793477 386270634 /nfs/dbraw/zinc/27/06/34/386270634.db2.gz DGDLHUJEXVKCLJ-UHFFFAOYSA-N 0 3 248.330 0.975 20 0 BCADHN CN(C)C1(CNC(=O)c2ccn(C)c2)CC1 ZINC000416308251 386270760 /nfs/dbraw/zinc/27/07/60/386270760.db2.gz PVCMKXXWDPFWFY-UHFFFAOYSA-N 0 3 221.304 0.849 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CCN(C)C2)cnn1 ZINC000276084663 386271935 /nfs/dbraw/zinc/27/19/35/386271935.db2.gz OPKBCGWOCRYDJR-JTQLQIEISA-N 0 3 234.303 0.467 20 0 BCADHN CCN(CCNC(=O)c1cnnc(C)c1)C1CC1 ZINC000276094113 386272881 /nfs/dbraw/zinc/27/28/81/386272881.db2.gz QGETVLNMPILWQE-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN COCC1(C(=O)NCC2(N(C)C)CC2)CC1 ZINC000416309717 386273602 /nfs/dbraw/zinc/27/36/02/386273602.db2.gz WWMYGEYKEDVCEP-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](CNC(=O)[C@@H](O)c1cccnc1)N(C)C ZINC000264844095 386274796 /nfs/dbraw/zinc/27/47/96/386274796.db2.gz 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/nfs/dbraw/zinc/39/68/14/386396814.db2.gz ZCSCAIAPKKBYHU-LBPRGKRZSA-N 0 3 236.315 0.627 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@H]1CO ZINC000340330649 386396834 /nfs/dbraw/zinc/39/68/34/386396834.db2.gz PDALXQGKGNLUAX-JTQLQIEISA-N 0 3 214.309 0.310 20 0 BCADHN C[C@H](CNC(=O)C[C@](C)(O)C1CC1)N(C)C ZINC000339386686 386397351 /nfs/dbraw/zinc/39/73/51/386397351.db2.gz XWBXFRDHMOLLCT-SKDRFNHKSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@@H](CCO)NC(=O)CC1CCN(C)CC1 ZINC000347421313 386397987 /nfs/dbraw/zinc/39/79/87/386397987.db2.gz YIIICSLBECMWKK-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN COC1CC(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)C1 ZINC000347419052 386398141 /nfs/dbraw/zinc/39/81/41/386398141.db2.gz RKQOBTFEFQCUKA-GDFINNJYSA-N 0 3 238.331 0.763 20 0 BCADHN CC(C)c1nn(C)cc1C(=O)NCCN(C)C ZINC000298915312 386398350 /nfs/dbraw/zinc/39/83/50/386398350.db2.gz ASATTYBKBHALMK-UHFFFAOYSA-N 0 3 238.335 0.835 20 0 BCADHN C[C@H](NC(=O)/C=C/CN(C)C)[C@H]1CCOC1 ZINC000266106276 386398720 /nfs/dbraw/zinc/39/87/20/386398720.db2.gz CHGVRKBZYWRJAR-NNOMMRTBSA-N 0 3 226.320 0.645 20 0 BCADHN CN(CCN1CCCS1(=O)=O)CC1CCC1 ZINC000336706282 386399129 /nfs/dbraw/zinc/39/91/29/386399129.db2.gz RBJRVTLCJFFNSL-UHFFFAOYSA-N 0 3 246.376 0.754 20 0 BCADHN CN(CCOCCO)C[C@H](O)c1ccccc1 ZINC000282306141 386400023 /nfs/dbraw/zinc/40/00/23/386400023.db2.gz GOSIDULTCRKQLS-ZDUSSCGKSA-N 0 3 239.315 0.661 20 0 BCADHN C[C@H](CNC(=O)Nc1cnns1)N(C)C ZINC000277082921 386404461 /nfs/dbraw/zinc/40/44/61/386404461.db2.gz MSONHRONEIMWFY-ZCFIWIBFSA-N 0 3 229.309 0.610 20 0 BCADHN COC[C@@H]1CCCN(CCN2CCCC2=O)C1 ZINC000112987866 386405738 /nfs/dbraw/zinc/40/57/38/386405738.db2.gz HIKGEJOXFXUQOL-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN COCC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000347448006 386406610 /nfs/dbraw/zinc/40/66/10/386406610.db2.gz SNKDTYHCXFZXPA-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CO[C@H]1COC[C@@H]1N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000290203740 386406777 /nfs/dbraw/zinc/40/67/77/386406777.db2.gz UGZWZDBOAXECQK-RFGFWPKPSA-N 0 3 249.310 0.648 20 0 BCADHN CC[C@H](C)N(CCO)CC(=O)N(C)CC1CC1 ZINC000347458855 386412632 /nfs/dbraw/zinc/41/26/32/386412632.db2.gz RNWRKAKYKOBVBD-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000339407377 386412999 /nfs/dbraw/zinc/41/29/99/386412999.db2.gz KANVEXVMPXTVAL-LLVKDONJSA-N 0 3 224.308 0.816 20 0 BCADHN Cc1ncc(C(=O)NC[C@@H](C)N(C)C)c(C)n1 ZINC000347465471 386414117 /nfs/dbraw/zinc/41/41/17/386414117.db2.gz OWODXCJWOPWKCU-MRVPVSSYSA-N 0 3 236.319 0.773 20 0 BCADHN C[C@@H]1CCN(CCCF)[C@H](C(N)=O)C1 ZINC000187440627 386414146 /nfs/dbraw/zinc/41/41/46/386414146.db2.gz ZCOBZDSVSZLBFX-BDAKNGLRSA-N 0 3 202.273 0.932 20 0 BCADHN Cn1cccc(NC(=O)C2(N)CCCCC2)c1=O ZINC000237814137 386414922 /nfs/dbraw/zinc/41/49/22/386414922.db2.gz HUXCJZDLMUMRDI-UHFFFAOYSA-N 0 3 249.314 0.985 20 0 BCADHN COC(=O)CCCC(=O)NC1CCN(C)CC1 ZINC000182686048 386419450 /nfs/dbraw/zinc/41/94/50/386419450.db2.gz OITXNXYYBCEOIO-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN Nc1ccc(NC(=O)[C@@H]2CCCCN2)cn1 ZINC000237858952 386419568 /nfs/dbraw/zinc/41/95/68/386419568.db2.gz YNPSZBAOZUFOMM-VIFPVBQESA-N 0 3 220.276 0.744 20 0 BCADHN C[C@H](CO)[C@H](C)NCC(=O)N1CCCCC1 ZINC000164904899 386419899 /nfs/dbraw/zinc/41/98/99/386419899.db2.gz MUOSONPXUYVCDN-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN CN(C)C[C@@H]1CN(C[C@@H]2CCOC2)CCO1 ZINC000336709325 386421945 /nfs/dbraw/zinc/42/19/45/386421945.db2.gz WSIJLQJBEUHXKK-NWDGAFQWSA-N 0 3 228.336 0.285 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000353202950 386422136 /nfs/dbraw/zinc/42/21/36/386422136.db2.gz AVPSBZOWIHPPAB-PWSUYJOCSA-N 0 3 241.335 0.241 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@H]1CCSC1 ZINC000266294103 386424050 /nfs/dbraw/zinc/42/40/50/386424050.db2.gz BHDUYAUEWHTYJH-CDAZIORVSA-N 0 3 214.334 0.726 20 0 BCADHN CN1CCC(NC(=O)C[C@](C)(O)C2CC2)CC1 ZINC000339431991 386424190 /nfs/dbraw/zinc/42/41/90/386424190.db2.gz KNVDNUJDWIHUEV-ZDUSSCGKSA-N 0 3 240.347 0.748 20 0 BCADHN CCN(CC)CC(=O)N(C)Cc1ncc[nH]1 ZINC000347497800 386424188 /nfs/dbraw/zinc/42/41/88/386424188.db2.gz FWTSGRRTXPPNBD-UHFFFAOYSA-N 0 3 224.308 0.710 20 0 BCADHN CC(C(=O)N(C)[C@@H](C)C1CC1)S(C)(=O)=O ZINC000340337958 386425213 /nfs/dbraw/zinc/42/52/13/386425213.db2.gz FEXSOPHNWGDWGD-JGVFFNPUSA-N 0 3 233.333 0.676 20 0 BCADHN Cc1ccn2c(CNC[C@H](O)CO)cnc2c1 ZINC000347509659 386427200 /nfs/dbraw/zinc/42/72/00/386427200.db2.gz WGEONGIZMZFWQL-NSHDSACASA-N 0 3 235.287 0.086 20 0 BCADHN Cc1ccn2c(CNC[C@@H](O)CO)cnc2c1 ZINC000347509643 386428527 /nfs/dbraw/zinc/42/85/27/386428527.db2.gz WGEONGIZMZFWQL-LLVKDONJSA-N 0 3 235.287 0.086 20 0 BCADHN CCOC(=O)CCN1CCN(C)CC1(C)C ZINC000347563388 386452233 /nfs/dbraw/zinc/45/22/33/386452233.db2.gz ITRQQLNKTNYTAZ-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN COC[C@H]1CCCN(CCN2CCNC2=O)C1 ZINC000336713249 386429468 /nfs/dbraw/zinc/42/94/68/386429468.db2.gz OJMDRFOUOJOSPB-NSHDSACASA-N 0 3 241.335 0.370 20 0 BCADHN CC(C)[C@H](C(=O)N(C)Cc1ncc[nH]1)N(C)C ZINC000347523702 386430580 /nfs/dbraw/zinc/43/05/80/386430580.db2.gz WCHHGEQACTVPJE-LLVKDONJSA-N 0 3 238.335 0.954 20 0 BCADHN Cc1cn[nH]c1CN1CCC[C@H](CO)C1 ZINC000290416630 386432504 /nfs/dbraw/zinc/43/25/04/386432504.db2.gz LUDKXSRQCPKSEE-JTQLQIEISA-N 0 3 209.293 0.922 20 0 BCADHN O=C1NCCN1CCN1CCC(C(F)F)CC1 ZINC000336714486 386432466 /nfs/dbraw/zinc/43/24/66/386432466.db2.gz PBPCPVAOVPIEKR-UHFFFAOYSA-N 0 3 247.289 0.989 20 0 BCADHN Cc1[nH]nc(C(=O)N2CCN[C@@H](C)[C@@H]2C)c1C ZINC000277443673 386435449 /nfs/dbraw/zinc/43/54/49/386435449.db2.gz FGAXVIMWXAKZKR-UWVGGRQHSA-N 0 3 236.319 0.849 20 0 BCADHN C[C@@H]1CN(C)CCN1Cc1n[nH]c(C2CC2)n1 ZINC000347478685 386435850 /nfs/dbraw/zinc/43/58/50/386435850.db2.gz KOZXFADRGKYVIP-SECBINFHSA-N 0 3 235.335 0.818 20 0 BCADHN C[C@H](CNC(=O)c1cncn1C)N(C)C1CC1 ZINC000277796766 386467185 /nfs/dbraw/zinc/46/71/85/386467185.db2.gz VIYOUQUBHNXJLN-SECBINFHSA-N 0 3 236.319 0.633 20 0 BCADHN C[C@H](CNC(=O)c1ccc2nncn2c1)N(C)C ZINC000299561467 386468839 /nfs/dbraw/zinc/46/88/39/386468839.db2.gz UCZBATDTMMDAEQ-SECBINFHSA-N 0 3 247.302 0.409 20 0 BCADHN C[C@@H](O)CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000277850352 386469106 /nfs/dbraw/zinc/46/91/06/386469106.db2.gz ZJDCNUBWUNPDRL-NXEZZACHSA-N 0 3 241.335 0.317 20 0 BCADHN C[C@@H]1CN(C(=O)NC[C@@H]2CCOC2)[C@@H](C)CN1 ZINC000417286798 386474872 /nfs/dbraw/zinc/47/48/72/386474872.db2.gz VXMKQNUSXFFPET-VWYCJHECSA-N 0 3 241.335 0.415 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ncc(C)s1 ZINC000227344489 386475402 /nfs/dbraw/zinc/47/54/02/386475402.db2.gz WEIAMGZUUHFIOC-LURJTMIESA-N 0 3 215.278 0.364 20 0 BCADHN CO[C@H](CN)C(=O)NCCc1ccc(F)cc1 ZINC000227342468 386476266 /nfs/dbraw/zinc/47/62/66/386476266.db2.gz DLQCUYDPLZXBAF-LLVKDONJSA-N 0 3 240.278 0.458 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1ccc(Cl)cc1 ZINC000227346619 386476966 /nfs/dbraw/zinc/47/69/66/386476966.db2.gz XYYWIPGTVFUXTH-JTQLQIEISA-N 0 3 242.706 0.930 20 0 BCADHN CCN(C)CCNC(=O)Cc1cc(C)on1 ZINC000266854222 386476930 /nfs/dbraw/zinc/47/69/30/386476930.db2.gz RTIHHKXVQOOHKX-UHFFFAOYSA-N 0 3 225.292 0.593 20 0 BCADHN CCCNC(=O)Cn1cc2c(n1)[C@@H](N)CCC2 ZINC000519697527 386528894 /nfs/dbraw/zinc/52/88/94/386528894.db2.gz NCAIYFOBZIJDDS-JTQLQIEISA-N 0 3 236.319 0.745 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)Cc1ccccc1F ZINC000227350250 386478557 /nfs/dbraw/zinc/47/85/57/386478557.db2.gz AJDJURAHXVECJE-NSHDSACASA-N 0 3 240.278 0.758 20 0 BCADHN C[C@H](CNC(=O)Cc1cnn(C)c1)N(C)C ZINC000299657886 386478536 /nfs/dbraw/zinc/47/85/36/386478536.db2.gz PXUROHNUKQJECK-SECBINFHSA-N 0 3 224.308 0.029 20 0 BCADHN CO[C@H](CN)C(=O)N(C)CCc1ccccc1 ZINC000227366627 386479474 /nfs/dbraw/zinc/47/94/74/386479474.db2.gz XDAKUHGVHZROKM-GFCCVEGCSA-N 0 3 236.315 0.661 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1cccc(F)c1 ZINC000227347185 386479772 /nfs/dbraw/zinc/47/97/72/386479772.db2.gz QYOPDWNQZGCMRS-JTQLQIEISA-N 0 3 226.251 0.416 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc(C)nc1C ZINC000227391496 386480575 /nfs/dbraw/zinc/48/05/75/386480575.db2.gz FSKMCYCUMIJSBO-JTQLQIEISA-N 0 3 223.276 0.611 20 0 BCADHN CN1CCC(NC(=O)[C@@H](O)c2ccccc2)CC1 ZINC000266935431 386481947 /nfs/dbraw/zinc/48/19/47/386481947.db2.gz OPYYTXNDXDPOCX-ZDUSSCGKSA-N 0 3 248.326 0.930 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc(C)nc1C ZINC000227391504 386482212 /nfs/dbraw/zinc/48/22/12/386482212.db2.gz FSKMCYCUMIJSBO-SNVBAGLBSA-N 0 3 223.276 0.611 20 0 BCADHN CN(CCNC(=O)c1cn[nH]c1)C1CC1 ZINC000059490859 386484388 /nfs/dbraw/zinc/48/43/88/386484388.db2.gz DJKPDPOLRLKACT-UHFFFAOYSA-N 0 3 208.265 0.234 20 0 BCADHN CCC[C@H](CC)NC(=O)NC[C@@H]1CNCCO1 ZINC000417346044 386487743 /nfs/dbraw/zinc/48/77/43/386487743.db2.gz TUSCWQOPYWXGAC-QWRGUYRKSA-N 0 3 243.351 0.853 20 0 BCADHN C[C@H](O)C[C@@H]1COCCN1CC[C@H]1CCOC1 ZINC000519560479 386488961 /nfs/dbraw/zinc/48/89/61/386488961.db2.gz CPBQSEUXHIHIHI-RWMBFGLXSA-N 0 3 243.347 0.885 20 0 BCADHN O=C(CN1CC[C@@H]2OCC[C@@H]2C1)N1CCC1 ZINC000335432181 386489004 /nfs/dbraw/zinc/48/90/04/386489004.db2.gz CSIGHGBBXUXGLQ-MNOVXSKESA-N 0 3 224.304 0.330 20 0 BCADHN CN1CCC(C(=O)NCC2(O)CCCC2)CC1 ZINC000335433178 386491153 /nfs/dbraw/zinc/49/11/53/386491153.db2.gz VMKDHRYPPNGUMQ-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN CC[C@@H]1CC[N@H+](CCCOC([O-])=NC(N)=O)C1 ZINC000093188855 386491262 /nfs/dbraw/zinc/49/12/62/386491262.db2.gz ALVGZYSYDVFRCA-SECBINFHSA-N 0 3 243.307 0.913 20 0 BCADHN CC[C@@H]1CC[N@@H+](CCCOC([O-])=NC(N)=O)C1 ZINC000093188855 386491273 /nfs/dbraw/zinc/49/12/73/386491273.db2.gz ALVGZYSYDVFRCA-SECBINFHSA-N 0 3 243.307 0.913 20 0 BCADHN CC[C@@H]1CC[N@H+](CCCOC(=O)N=C(N)[O-])C1 ZINC000093188855 386491278 /nfs/dbraw/zinc/49/12/78/386491278.db2.gz ALVGZYSYDVFRCA-SECBINFHSA-N 0 3 243.307 0.913 20 0 BCADHN CC[C@@H]1CC[N@@H+](CCCOC(=O)N=C(N)[O-])C1 ZINC000093188855 386491283 /nfs/dbraw/zinc/49/12/83/386491283.db2.gz ALVGZYSYDVFRCA-SECBINFHSA-N 0 3 243.307 0.913 20 0 BCADHN CC(=O)NCCCN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339622468 386493799 /nfs/dbraw/zinc/49/37/99/386493799.db2.gz NWFWZOOCARACEJ-GHMZBOCLSA-N 0 3 227.352 0.537 20 0 BCADHN CNS(=O)(=O)CCN[C@@H]1CCCSC1 ZINC000187193738 386495442 /nfs/dbraw/zinc/49/54/42/386495442.db2.gz CHDRTZIWGYBHCW-MRVPVSSYSA-N 0 3 238.378 0.021 20 0 BCADHN CN(C)CCN(C)C(=O)c1cnns1 ZINC000267130756 386497511 /nfs/dbraw/zinc/49/75/11/386497511.db2.gz RQPDXHGAOVCJKE-UHFFFAOYSA-N 0 3 214.294 0.172 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000519597259 386500693 /nfs/dbraw/zinc/50/06/93/386500693.db2.gz ATMKQBZRGUDXDG-SNVBAGLBSA-N 0 3 236.319 0.853 20 0 BCADHN CC(C)(N)C(=O)Nc1nc2cccnc2[nH]1 ZINC000519605447 386502774 /nfs/dbraw/zinc/50/27/74/386502774.db2.gz XDPMSBMUSWALGA-UHFFFAOYSA-N 0 3 219.248 0.634 20 0 BCADHN CCN(CC)CC(=O)N1CCn2cncc2C1 ZINC000291028822 386502803 /nfs/dbraw/zinc/50/28/03/386502803.db2.gz FAQBHSHBEAXTHB-UHFFFAOYSA-N 0 3 236.319 0.567 20 0 BCADHN Cn1nccc1[C@@H]1CCCCN1C(=O)CN ZINC000519605647 386503178 /nfs/dbraw/zinc/50/31/78/386503178.db2.gz AGVMXRWVMMVWKK-JTQLQIEISA-N 0 3 222.292 0.432 20 0 BCADHN Cn1cccc1CN1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366480609 386529756 /nfs/dbraw/zinc/52/97/56/386529756.db2.gz JFPHUMHYCPBQIC-WDEREUQCSA-N 0 3 247.298 0.120 20 0 BCADHN Cn1cc(CN2CC[C@@H](N3CCCCC3)C2)nn1 ZINC000336783955 386506614 /nfs/dbraw/zinc/50/66/14/386506614.db2.gz MOOMUOKCDKVSIR-CYBMUJFWSA-N 0 3 249.362 0.875 20 0 BCADHN C[C@@H]1OCC[C@@]1(O)CNCc1cnn(C)c1 ZINC000227981788 386529830 /nfs/dbraw/zinc/52/98/30/386529830.db2.gz FTXWHMJWAQRLRF-GXSJLCMTSA-N 0 3 225.292 0.050 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccc(CO)c(F)c1 ZINC000267197068 386509619 /nfs/dbraw/zinc/50/96/19/386509619.db2.gz FBYXRTRDJCIIFA-QMMMGPOBSA-N 0 3 240.278 0.672 20 0 BCADHN Cc1cc(=O)[nH]c(C(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000645315184 386510312 /nfs/dbraw/zinc/51/03/12/386510312.db2.gz BQGMGBNHWNFKGW-SNVBAGLBSA-N 0 3 249.314 0.920 20 0 BCADHN Cc1cc(=O)[nH]c(C(=O)N[C@H]2CCCN(C)C2)c1 ZINC000645315183 386511203 /nfs/dbraw/zinc/51/12/03/386511203.db2.gz BQGMGBNHWNFKGW-JTQLQIEISA-N 0 3 249.314 0.920 20 0 BCADHN 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ZINC000425544258 386525063 /nfs/dbraw/zinc/52/50/63/386525063.db2.gz IKXYCTHMOYBTEA-NXEZZACHSA-N 0 3 224.308 0.755 20 0 BCADHN CCC[C@@H](O)C[N@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000425544258 386525070 /nfs/dbraw/zinc/52/50/70/386525070.db2.gz IKXYCTHMOYBTEA-NXEZZACHSA-N 0 3 224.308 0.755 20 0 BCADHN Cc1ccsc1CN1C[C@H](O)[C@@H](O)C1 ZINC000278428318 386525431 /nfs/dbraw/zinc/52/54/31/386525431.db2.gz SSXLNKRFKFNQJU-IUCAKERBSA-N 0 3 213.302 0.594 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@]1(O)CCO[C@H]1C ZINC000227977732 386525777 /nfs/dbraw/zinc/52/57/77/386525777.db2.gz MCAXNXQRARTWES-CMPLNLGQSA-N 0 3 239.319 0.656 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@H](CO)C(C)(C)C ZINC000278427200 386527621 /nfs/dbraw/zinc/52/76/21/386527621.db2.gz NRJLASULNXGPNC-VQCYPWCPSA-N 0 3 228.336 0.627 20 0 BCADHN CCN(CC)CC(=O)NCc1c[nH]nc1C ZINC000299447227 386454513 /nfs/dbraw/zinc/45/45/13/386454513.db2.gz DPXRNKGAKZXPTD-UHFFFAOYSA-N 0 3 224.308 0.676 20 0 BCADHN CCC1(O)CCN(CCN2CCNC2=O)CC1 ZINC000336720581 386455614 /nfs/dbraw/zinc/45/56/14/386455614.db2.gz SDWUGJVOADKVHL-UHFFFAOYSA-N 0 3 241.335 0.249 20 0 BCADHN Cn1cc([C@@H]2CN(CCCF)C[C@H]2CO)cn1 ZINC000277645407 386456333 /nfs/dbraw/zinc/45/63/33/386456333.db2.gz CLPBVYDXSXDYNI-RYUDHWBXSA-N 0 3 241.310 0.787 20 0 BCADHN CC[C@](C)(O)CNC(=O)/C=C/CN(C)C ZINC000266617593 386456449 /nfs/dbraw/zinc/45/64/49/386456449.db2.gz YRVJQVUZLQCUOL-MLRMMBSGSA-N 0 3 214.309 0.381 20 0 BCADHN CC[C@H](COC)NC(=O)[C@@H](N)C1CCC1 ZINC000399211377 386456783 /nfs/dbraw/zinc/45/67/83/386456783.db2.gz XVSDEFKUNOSUFJ-ZJUUUORDSA-N 0 3 214.309 0.655 20 0 BCADHN N[C@H](C(=O)NCCc1nccs1)C1CCC1 ZINC000399213835 386459060 /nfs/dbraw/zinc/45/90/60/386459060.db2.gz YXLQVZIWEIABBF-JTQLQIEISA-N 0 3 239.344 0.929 20 0 BCADHN Cn1ccnc1CNC(=O)C12CCCN1CCC2 ZINC000290622229 386459878 /nfs/dbraw/zinc/45/98/78/386459878.db2.gz ZDOXBCAALHGULQ-UHFFFAOYSA-N 0 3 248.330 0.665 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)Cn1ccnc1 ZINC000299493927 386460042 /nfs/dbraw/zinc/46/00/42/386460042.db2.gz IWHUGCBCOFBJOH-LLVKDONJSA-N 0 3 238.335 0.728 20 0 BCADHN CCOC[C@H](O)CN[C@H](CO)c1ccsc1 ZINC000336778373 386461584 /nfs/dbraw/zinc/46/15/84/386461584.db2.gz LFFKUMJHVFSRNU-GHMZBOCLSA-N 0 3 245.344 0.769 20 0 BCADHN CCOCCN1CCN(CCC[C@H](C)O)CC1 ZINC000336725419 386462198 /nfs/dbraw/zinc/46/21/98/386462198.db2.gz UYLKLHUEXDUEFI-ZDUSSCGKSA-N 0 3 244.379 0.802 20 0 BCADHN CCn1nncc1CNC[C@@H](C)N(C)C1CC1 ZINC000417920156 386462279 /nfs/dbraw/zinc/46/22/79/386462279.db2.gz QMUFFHZSIBDNMP-SNVBAGLBSA-N 0 3 237.351 0.870 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1C ZINC000347759587 386464584 /nfs/dbraw/zinc/46/45/84/386464584.db2.gz RVMBVQAZAPCTSZ-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN c1ncn(CCN2CCC(c3c[nH]cn3)CC2)n1 ZINC000336727402 386465352 /nfs/dbraw/zinc/46/53/52/386465352.db2.gz MDMKKENGGBBCOC-UHFFFAOYSA-N 0 3 246.318 0.881 20 0 BCADHN CCN(CCNC(=O)Cc1cncnc1)C1CC1 ZINC000278732530 386575361 /nfs/dbraw/zinc/57/53/61/386575361.db2.gz DDRNRLGFYYXIRS-UHFFFAOYSA-N 0 3 248.330 0.620 20 0 BCADHN C[C@H](NC(=O)c1cncn1C)C1=CCN(C)CC1 ZINC000291755999 386579555 /nfs/dbraw/zinc/57/95/55/386579555.db2.gz VATXLHCLYWVGCT-JTQLQIEISA-N 0 3 248.330 0.800 20 0 BCADHN O=C1NC[C@@H]2CN(Cc3ccco3)CC[C@@H]12 ZINC000365649394 386579839 /nfs/dbraw/zinc/57/98/39/386579839.db2.gz JJOIIBCSEUMYCU-MWLCHTKSSA-N 0 3 220.272 0.848 20 0 BCADHN CC(C)CN1CCN(CCO)[C@@H](C)C1 ZINC000187722188 386582768 /nfs/dbraw/zinc/58/27/68/386582768.db2.gz KFHYPAWVFLKKOD-NSHDSACASA-N 0 3 200.326 0.641 20 0 BCADHN COC(=O)c1cc(CNC[C@@H](O)C2CC2)c[nH]1 ZINC000267776489 386584492 /nfs/dbraw/zinc/58/44/92/386584492.db2.gz BEHLIJRFPJXAAK-LLVKDONJSA-N 0 3 238.287 0.662 20 0 BCADHN CCNC(=O)CN1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000408432418 386586083 /nfs/dbraw/zinc/58/60/83/386586083.db2.gz GGLNQWRENUGCGL-HBNTYKKESA-N 0 3 228.336 0.604 20 0 BCADHN COC[C@H](C)CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000417718733 386587053 /nfs/dbraw/zinc/58/70/53/386587053.db2.gz HROMDQNKGXLVKL-OUAUKWLOSA-N 0 3 243.351 0.661 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1CC(=O)N(C)C ZINC000335418862 386587630 /nfs/dbraw/zinc/58/76/30/386587630.db2.gz HWEWRNZXIQANAT-NSHDSACASA-N 0 3 227.352 0.347 20 0 BCADHN NC1(C(=O)N2CC[C@@H]3OCC[C@@H]3C2)CCCC1 ZINC000335419059 386590433 /nfs/dbraw/zinc/59/04/33/386590433.db2.gz SGSGUFSIEFOJLE-MNOVXSKESA-N 0 3 238.331 0.895 20 0 BCADHN CO[C@@H](C)[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC000291863808 386592833 /nfs/dbraw/zinc/59/28/33/386592833.db2.gz KFEJNHYTBZSBAI-APPZFPTMSA-N 0 3 225.292 0.800 20 0 BCADHN CCc1ccccc1C(=O)NC[C@@H]1CNCCO1 ZINC000123996343 386593825 /nfs/dbraw/zinc/59/38/25/386593825.db2.gz HSONWRVGRXNDIB-LBPRGKRZSA-N 0 3 248.326 0.967 20 0 BCADHN CCCNC(=O)CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425548525 386595103 /nfs/dbraw/zinc/59/51/03/386595103.db2.gz MYZLWVYKNZGXNQ-VIFPVBQESA-N 0 3 237.307 0.120 20 0 BCADHN Cc1cc(NC(=O)C2(N)CCC2)c(=O)n(C)c1 ZINC000335456550 386532810 /nfs/dbraw/zinc/53/28/10/386532810.db2.gz XONHNVXZYXJPIZ-UHFFFAOYSA-N 0 3 235.287 0.514 20 0 BCADHN Cc1nnc(CN2C[C@H](C)N(C)[C@@H](C)C2)n1C ZINC000336888161 386540844 /nfs/dbraw/zinc/54/08/44/386540844.db2.gz JOVCZCYDUYSAPU-UWVGGRQHSA-N 0 3 237.351 0.648 20 0 BCADHN C[C@H](N[C@H]1CN(C)C[C@@H]1C)c1ncn(C)n1 ZINC000336755617 386544415 /nfs/dbraw/zinc/54/44/15/386544415.db2.gz XSJBMBGXYZCEEJ-GUBZILKMSA-N 0 3 223.324 0.416 20 0 BCADHN CSC[C@H](C)NC(=O)[C@@H](N)CC(F)F ZINC000308520662 386546002 /nfs/dbraw/zinc/54/60/02/386546002.db2.gz XNSDJVZOHWBHDS-WDSKDSINSA-N 0 3 226.292 0.837 20 0 BCADHN CSC[C@H](C)NC(=O)[C@H](N)CC(F)F ZINC000308520659 386546041 /nfs/dbraw/zinc/54/60/41/386546041.db2.gz XNSDJVZOHWBHDS-NTSWFWBYSA-N 0 3 226.292 0.837 20 0 BCADHN CCN(CCOCCO)Cc1[nH]ncc1C ZINC000291453186 386549661 /nfs/dbraw/zinc/54/96/61/386549661.db2.gz COJJXFHDYIWUPV-UHFFFAOYSA-N 0 3 227.308 0.549 20 0 BCADHN CCN(C)CCNC(=O)N1CC[C@H](C)C1 ZINC000336930373 386553526 /nfs/dbraw/zinc/55/35/26/386553526.db2.gz ZAVUMSQPEUKVRV-JTQLQIEISA-N 0 3 213.325 0.990 20 0 BCADHN CC1(C)[C@H](N[C@@H]2CCNC2=O)[C@@H]2CCCO[C@@H]21 ZINC000519803221 386554333 /nfs/dbraw/zinc/55/43/33/386554333.db2.gz OUNXGERIOVXYSJ-ZDCRXTMVSA-N 0 3 238.331 0.668 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1CCCN1CCCC1=O ZINC000519806230 386555280 /nfs/dbraw/zinc/55/52/80/386555280.db2.gz DMZKIILBUZEIEW-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H]1C[C@H](O)C[N@H+]1Cc1ncccc1[O-] ZINC000519793679 386556588 /nfs/dbraw/zinc/55/65/88/386556588.db2.gz RJAGLKBVDSTKGC-BDAKNGLRSA-N 0 3 208.261 0.742 20 0 BCADHN CO[C@H]1C[C@@H](N(C)C(=O)C(C)S(C)(=O)=O)C1 ZINC000332060929 386558272 /nfs/dbraw/zinc/55/82/72/386558272.db2.gz PMLUMWXILKKMPU-XHNCKOQMSA-N 0 3 249.332 0.055 20 0 BCADHN COC[C@@H](O)CN1CC[C@H](n2cccn2)C1 ZINC000291633966 386560176 /nfs/dbraw/zinc/56/01/76/386560176.db2.gz DJGUXDWORCRWGU-QWRGUYRKSA-N 0 3 225.292 0.137 20 0 BCADHN CN(C)[C@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC000335404015 386561460 /nfs/dbraw/zinc/56/14/60/386561460.db2.gz NSIHURCYQIXNAF-QWRGUYRKSA-N 0 3 225.336 0.291 20 0 BCADHN CCN(CCNC(=O)c1cccc(N)n1)C1CC1 ZINC000228332561 386563391 /nfs/dbraw/zinc/56/33/91/386563391.db2.gz AMMQZHGIOXQQBC-UHFFFAOYSA-N 0 3 248.330 0.878 20 0 BCADHN CN(C)CC(C)(C)NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000457237605 386565268 /nfs/dbraw/zinc/56/52/68/386565268.db2.gz LGDXNVNRYCFMEJ-GMTAPVOTSA-N 0 3 240.347 0.868 20 0 BCADHN Cc1ccc([C@H](O)CN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000278690237 386567624 /nfs/dbraw/zinc/56/76/24/386567624.db2.gz JEMVPYFWFRVLMQ-UPJWGTAASA-N 0 3 237.299 0.066 20 0 BCADHN CC[C@H](C(=O)NCc1ccncn1)N(C)C ZINC000425316877 386568474 /nfs/dbraw/zinc/56/84/74/386568474.db2.gz ZGXUHMYFGCHWGS-SNVBAGLBSA-N 0 3 222.292 0.433 20 0 BCADHN CC[C@]1(CO)CCCN([C@@H](C)C(=O)N(C)C)C1 ZINC000187590000 386569493 /nfs/dbraw/zinc/56/94/93/386569493.db2.gz RHNMFSCUPJJDDS-AAEUAGOBSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)[C@@H](C)CNC(=O)NC[C@H]1CNCCO1 ZINC000417723186 386597876 /nfs/dbraw/zinc/59/78/76/386597876.db2.gz WIVASLOYLINMGB-WDEREUQCSA-N 0 3 243.351 0.566 20 0 BCADHN CC(C)N(CC(N)=O)C(=O)[C@]1(C)CCCCN1 ZINC000136140240 386570790 /nfs/dbraw/zinc/57/07/90/386570790.db2.gz LPAMZIDFUDBKMV-LBPRGKRZSA-N 0 3 241.335 0.241 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H](C)C[C@@H]1CCCO1 ZINC000353162769 386619483 /nfs/dbraw/zinc/61/94/83/386619483.db2.gz AHWIIRBTZXSBMQ-LPEHRKFASA-N 0 3 230.308 0.034 20 0 BCADHN CCN1CC[C@H]2OCCN(CC[C@H](C)O)[C@H]2C1 ZINC000644938408 386625784 /nfs/dbraw/zinc/62/57/84/386625784.db2.gz KVSSXRYWUFLARZ-RWMBFGLXSA-N 0 3 242.363 0.552 20 0 BCADHN O=C1CCCN1CCN1CCC[C@H](O)CC1 ZINC000339782439 386626080 /nfs/dbraw/zinc/62/60/80/386626080.db2.gz OHSWIWVLQFIFNO-NSHDSACASA-N 0 3 226.320 0.456 20 0 BCADHN C[C@H](O)CCN1CC[C@H](c2nnc[nH]2)C1 ZINC000425553854 386627027 /nfs/dbraw/zinc/62/70/27/386627027.db2.gz VBXWVYQJSJZKJH-IUCAKERBSA-N 0 3 210.281 0.365 20 0 BCADHN C[C@H](O)CCCN1CC[C@H](c2nnc[nH]2)C1 ZINC000425555643 386628046 /nfs/dbraw/zinc/62/80/46/386628046.db2.gz YLNXRPAOUKFSPM-UWVGGRQHSA-N 0 3 224.308 0.755 20 0 BCADHN Cn1ncnc1NC(=O)C1CCN(C2CC2)CC1 ZINC000279086938 386631481 /nfs/dbraw/zinc/63/14/81/386631481.db2.gz VVXLCGUWVTWBHS-UHFFFAOYSA-N 0 3 249.318 0.628 20 0 BCADHN CO[C@@H]1CCN(CCN2CCOC[C@@H]2C)C1 ZINC000337170331 386632972 /nfs/dbraw/zinc/63/29/72/386632972.db2.gz FCCKDQSQBHZQJV-NWDGAFQWSA-N 0 3 228.336 0.428 20 0 BCADHN COCC(C)(C)N1CCN(C[C@H](C)CO)CC1 ZINC000644946776 386633555 /nfs/dbraw/zinc/63/35/55/386633555.db2.gz SVPIMPYUXJEUHV-LBPRGKRZSA-N 0 3 244.379 0.657 20 0 BCADHN C[C@H](c1ccccc1)[C@H](NC[C@H](C)O)C(N)=O ZINC000292200766 386635167 /nfs/dbraw/zinc/63/51/67/386635167.db2.gz NTFDEALGVJWVNX-UMNHJUIQSA-N 0 3 236.315 0.614 20 0 BCADHN Cc1ncc(NC(=O)N2C[C@H](C)NC[C@H]2C)cn1 ZINC000415145780 386642764 /nfs/dbraw/zinc/64/27/64/386642764.db2.gz XSQUMLZOXNJHGL-DTWKUNHWSA-N 0 3 249.318 0.999 20 0 BCADHN Cc1ncc(NC(=O)N2C[C@@H](C)NC[C@@H]2C)cn1 ZINC000415145777 386642974 /nfs/dbraw/zinc/64/29/74/386642974.db2.gz XSQUMLZOXNJHGL-BDAKNGLRSA-N 0 3 249.318 0.999 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CCCN1C1CC1)c1nc[nH]n1 ZINC000279189222 386645009 /nfs/dbraw/zinc/64/50/09/386645009.db2.gz MUUGZPSSMVYYCJ-WPRPVWTQSA-N 0 3 249.318 0.609 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1nnc[n-]1 ZINC000279189222 386645014 /nfs/dbraw/zinc/64/50/14/386645014.db2.gz MUUGZPSSMVYYCJ-WPRPVWTQSA-N 0 3 249.318 0.609 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1nnc[n-]1 ZINC000279189222 386645019 /nfs/dbraw/zinc/64/50/19/386645019.db2.gz MUUGZPSSMVYYCJ-WPRPVWTQSA-N 0 3 249.318 0.609 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CCCN1C1CC1)c1nnc[nH]1 ZINC000279189222 386645024 /nfs/dbraw/zinc/64/50/24/386645024.db2.gz MUUGZPSSMVYYCJ-WPRPVWTQSA-N 0 3 249.318 0.609 20 0 BCADHN CN(C)CCNC(=O)c1n[nH]c2c1CCC2 ZINC000049678957 386645485 /nfs/dbraw/zinc/64/54/85/386645485.db2.gz WJEDUCGORGBAIO-UHFFFAOYSA-N 0 3 222.292 0.190 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCN1CCCCC1 ZINC000049575441 386647627 /nfs/dbraw/zinc/64/76/27/386647627.db2.gz NQRPKESCGQSVMN-LBPRGKRZSA-N 0 3 241.379 0.962 20 0 BCADHN CCN1CC[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000335515546 386651498 /nfs/dbraw/zinc/65/14/98/386651498.db2.gz NLCOBEUECYLFNF-VIFPVBQESA-N 0 3 225.267 0.978 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000335515545 386651529 /nfs/dbraw/zinc/65/15/29/386651529.db2.gz NLCOBEUECYLFNF-SECBINFHSA-N 0 3 225.267 0.978 20 0 BCADHN C[C@@H](CO)N(C)C[C@@H](O)COc1ccccc1 ZINC000245620021 386599678 /nfs/dbraw/zinc/59/96/78/386599678.db2.gz NLYQURHGRUDLKI-NWDGAFQWSA-N 0 3 239.315 0.739 20 0 BCADHN Cc1cc(CC(=O)NCCN(C)C2CC2)n[nH]1 ZINC000267966768 386605076 /nfs/dbraw/zinc/60/50/76/386605076.db2.gz OITAKJDRWHXKAB-UHFFFAOYSA-N 0 3 236.319 0.471 20 0 BCADHN Cc1cc(CC(=O)NCCN(C)C2CC2)[nH]n1 ZINC000267966768 386605078 /nfs/dbraw/zinc/60/50/78/386605078.db2.gz OITAKJDRWHXKAB-UHFFFAOYSA-N 0 3 236.319 0.471 20 0 BCADHN C[C@@H](O)CCN1CC[C@](O)(C(F)(F)F)C1 ZINC000336645815 386607143 /nfs/dbraw/zinc/60/71/43/386607143.db2.gz JARFIHLVHLYZKF-HTQZYQBOSA-N 0 3 227.226 0.756 20 0 BCADHN C[C@@H](O)CCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000336645835 386607336 /nfs/dbraw/zinc/60/73/36/386607336.db2.gz JARFIHLVHLYZKF-SFYZADRCSA-N 0 3 227.226 0.756 20 0 BCADHN Cc1ccc(CCCN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000278953981 386608764 /nfs/dbraw/zinc/60/87/64/386608764.db2.gz ZABUIHVSMYREJQ-OKILXGFUSA-N 0 3 235.327 0.965 20 0 BCADHN CCCCNC(=O)[C@H](N)CCC(=O)OC ZINC000336757833 386609362 /nfs/dbraw/zinc/60/93/62/386609362.db2.gz ZDMPOQRFBOBYOA-MRVPVSSYSA-N 0 3 216.281 0.183 20 0 BCADHN CN(C)C[C@H](NC(=O)CO)c1ccc(F)cc1 ZINC000292017053 386610259 /nfs/dbraw/zinc/61/02/59/386610259.db2.gz ZYDJMJUBOOHECG-NSHDSACASA-N 0 3 240.278 0.537 20 0 BCADHN CN(C[C@@H]1COCCO1)C[C@H]1CCCC[C@H]1O ZINC000450701095 386610663 /nfs/dbraw/zinc/61/06/63/386610663.db2.gz VRHQYYRFMZAOIU-JHJVBQTASA-N 0 3 243.347 0.885 20 0 BCADHN CCO[C@@H](CC)C(=O)NCCN(C)CCOC ZINC000520234613 386610912 /nfs/dbraw/zinc/61/09/12/386610912.db2.gz UUEQHOPLGTZLOQ-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000337120362 386612300 /nfs/dbraw/zinc/61/23/00/386612300.db2.gz YTDZXBOHYBKNHR-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN COC(=O)c1cc(CNC[C@@H](C)O)n(C)c1C ZINC000291170986 386613702 /nfs/dbraw/zinc/61/37/02/386613702.db2.gz JUFOWCJRVFIAOP-MRVPVSSYSA-N 0 3 240.303 0.591 20 0 BCADHN CC[C@](C)(O)CNC(=O)Cc1nc[nH]c1C ZINC000278975462 386615617 /nfs/dbraw/zinc/61/56/17/386615617.db2.gz XZTOYQAGUJYKPK-NSHDSACASA-N 0 3 225.292 0.538 20 0 BCADHN CS[C@@H]1CC[C@H]1N[C@@H](C)C(=O)N(C)C ZINC000425330609 386661644 /nfs/dbraw/zinc/66/16/44/386661644.db2.gz BBZSFGZASYZVLT-DJLDLDEBSA-N 0 3 216.350 0.947 20 0 BCADHN C[C@@H](O)CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000337226552 386663567 /nfs/dbraw/zinc/66/35/67/386663567.db2.gz FXCFFBXUZXOVNR-PWSUYJOCSA-N 0 3 229.320 0.637 20 0 BCADHN CCCCCS(=O)(=O)C(C)C(N)=O ZINC000147497656 386664283 /nfs/dbraw/zinc/66/42/83/386664283.db2.gz KXXADGGUVQGEHZ-SSDOTTSWSA-N 0 3 207.295 0.465 20 0 BCADHN C[C@H](O)CN1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000337222738 386665010 /nfs/dbraw/zinc/66/50/10/386665010.db2.gz CYIULYKUJPWIQT-SDDRHHMPSA-N 0 3 229.320 0.637 20 0 BCADHN Cc1c([C@@H]2OCC[C@@H]2NC[C@@H](C)O)cnn1C ZINC000337205755 386667025 /nfs/dbraw/zinc/66/70/25/386667025.db2.gz LEMQQTQHPVRRRG-ZHAHWJHGSA-N 0 3 239.319 0.529 20 0 BCADHN CC(C)OCC(=O)N[C@@H](C)CN(C)C ZINC000165123393 386671942 /nfs/dbraw/zinc/67/19/42/386671942.db2.gz DPPDWQIMHPUINJ-VIFPVBQESA-N 0 3 202.298 0.478 20 0 BCADHN Cc1noc(CCCN2CC[C@H](CO)C2)n1 ZINC000330363605 386672927 /nfs/dbraw/zinc/67/29/27/386672927.db2.gz LMMSOAGBMISFMS-JTQLQIEISA-N 0 3 225.292 0.625 20 0 BCADHN C[C@H](O)CN1C[C@H](C)N(C[C@H](C)O)[C@@H](C)C1 ZINC000337243296 386673973 /nfs/dbraw/zinc/67/39/73/386673973.db2.gz NRZRRCMAGUXLTP-BJDJZHNGSA-N 0 3 230.352 0.143 20 0 BCADHN CN1CCC(CNC(=O)[C@H]2CCC(=O)C2)CC1 ZINC000335528902 386675206 /nfs/dbraw/zinc/67/52/06/386675206.db2.gz NLIPPDGDYCBRJY-NSHDSACASA-N 0 3 238.331 0.814 20 0 BCADHN CCOCCN[C@@H](CO)[C@H]1CCCO1 ZINC000336647897 386680084 /nfs/dbraw/zinc/68/00/84/386680084.db2.gz FTAFZODTDYCCBY-VHSXEESVSA-N 0 3 203.282 0.152 20 0 BCADHN CC[C@@H](C(=O)NCc1[nH]cnc1C)N(C)C ZINC000330422441 386709635 /nfs/dbraw/zinc/70/96/35/386709635.db2.gz HNGMLJIOGSFBNA-JTQLQIEISA-N 0 3 224.308 0.675 20 0 BCADHN CC(C)C[C@H](CCO)CNC(=O)[C@@H](C)N ZINC000121675213 386710125 /nfs/dbraw/zinc/71/01/25/386710125.db2.gz QKOGIMLKJSWYHQ-ZJUUUORDSA-N 0 3 216.325 0.495 20 0 BCADHN COC(=O)[C@H](C)CN(C)Cc1cnn(C)c1C ZINC000268873981 386710144 /nfs/dbraw/zinc/71/01/44/386710144.db2.gz GVHMSPXYRGZPFL-SECBINFHSA-N 0 3 239.319 0.969 20 0 BCADHN CC[C@H](CNC(=O)/C=C/CN(C)C)OC ZINC000292516927 386683575 /nfs/dbraw/zinc/68/35/75/386683575.db2.gz QFETZUUDXATYIV-VQCYPWCPSA-N 0 3 214.309 0.645 20 0 BCADHN C[C@H](NCCO)c1ccc(-n2cncn2)cc1 ZINC000268703672 386684321 /nfs/dbraw/zinc/68/43/21/386684321.db2.gz BAIAISKAWPQNFC-JTQLQIEISA-N 0 3 232.287 0.910 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000330379101 386685386 /nfs/dbraw/zinc/68/53/86/386685386.db2.gz KPRWYLIFWUQGMC-VIFPVBQESA-N 0 3 242.323 0.011 20 0 BCADHN CC[C@H](O)CCNC(=O)/C=C/CN(C)C ZINC000268724998 386686874 /nfs/dbraw/zinc/68/68/74/386686874.db2.gz YWIDQYCVSRMYRR-PORFMDCZSA-N 0 3 214.309 0.381 20 0 BCADHN Cc1ccc([O-])c(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000050228645 386686992 /nfs/dbraw/zinc/68/69/92/386686992.db2.gz NBVGXCSETUAERX-SECBINFHSA-N 0 3 220.272 0.874 20 0 BCADHN CC[C@@H](C(=O)N(CC)CCCO)N(C)C ZINC000339835536 386688190 /nfs/dbraw/zinc/68/81/90/386688190.db2.gz BANVNGDELOZJFD-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN CC[C@@H](CNC(=O)Cc1nc[nH]c1C)OC ZINC000292540232 386688203 /nfs/dbraw/zinc/68/82/03/386688203.db2.gz RSGSZEJGTSYPGV-VIFPVBQESA-N 0 3 225.292 0.802 20 0 BCADHN CO[C@H]1CCN(CCN2CCO[C@H](C)C2)C1 ZINC000337258139 386690506 /nfs/dbraw/zinc/69/05/06/386690506.db2.gz URPMJCJAYNPMRT-NEPJUHHUSA-N 0 3 228.336 0.428 20 0 BCADHN Cc1c[nH]nc1CNCCN1CCOC[C@@H]1C ZINC000352840600 386694158 /nfs/dbraw/zinc/69/41/58/386694158.db2.gz OAKPDTARKUBIKR-NSHDSACASA-N 0 3 238.335 0.528 20 0 BCADHN Cn1cc(CN[C@@H]2CCc3c[nH]nc3C2)cn1 ZINC000335474063 386696594 /nfs/dbraw/zinc/69/65/94/386696594.db2.gz QEWIMOCHZLRULC-LLVKDONJSA-N 0 3 231.303 0.790 20 0 BCADHN CN(CCc1cnccn1)CC1(C)COC1 ZINC000357035218 386698180 /nfs/dbraw/zinc/69/81/80/386698180.db2.gz IJBZRVPYFXFRAZ-UHFFFAOYSA-N 0 3 221.304 0.987 20 0 BCADHN CC[C@@H](NCCn1cncn1)c1cnn(C)c1 ZINC000268814424 386699320 /nfs/dbraw/zinc/69/93/20/386699320.db2.gz JXZCBCZOQRKBNO-LLVKDONJSA-N 0 3 234.307 0.753 20 0 BCADHN COC(=O)CNC(=O)CN(C)C1CCCC1 ZINC000185480053 386699551 /nfs/dbraw/zinc/69/95/51/386699551.db2.gz OHQSBVKQOGOYRL-UHFFFAOYSA-N 0 3 228.292 0.150 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1CO[C@@H](C)C1)N(C)C ZINC000645440030 386700388 /nfs/dbraw/zinc/70/03/88/386700388.db2.gz FKBAECFPGZAXTA-GUBZILKMSA-N 0 3 229.324 0.413 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1CO[C@H](C)C1)N(C)C ZINC000645440029 386701968 /nfs/dbraw/zinc/70/19/68/386701968.db2.gz FKBAECFPGZAXTA-AEJSXWLSSA-N 0 3 229.324 0.413 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cn2c(n1)CCC2 ZINC000335476499 386702160 /nfs/dbraw/zinc/70/21/60/386702160.db2.gz CQVHMSBQVZEWTC-VHSXEESVSA-N 0 3 248.330 0.652 20 0 BCADHN CC(C)[C@H](C(=O)N1CC(O)(C2CC2)C1)N(C)C ZINC000357080930 386712158 /nfs/dbraw/zinc/71/21/58/386712158.db2.gz UAVBWXDKIQKCJX-LLVKDONJSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@H](C1CCC1)N(C)CC(=O)NC(N)=O ZINC000357048477 386705521 /nfs/dbraw/zinc/70/55/21/386705521.db2.gz WOKPHYNUNCGABV-SSDOTTSWSA-N 0 3 213.281 0.302 20 0 BCADHN COC[C@H](CO)NC[C@@H](CC(C)C)OC ZINC000639125088 386705953 /nfs/dbraw/zinc/70/59/53/386705953.db2.gz OLCMNMKZGDTIGP-WDEREUQCSA-N 0 3 219.325 0.644 20 0 BCADHN COC[C@@H](CO)NC[C@@H](CC(C)C)OC ZINC000639125085 386706297 /nfs/dbraw/zinc/70/62/97/386706297.db2.gz OLCMNMKZGDTIGP-GHMZBOCLSA-N 0 3 219.325 0.644 20 0 BCADHN CN(CCc1cnccn1)CC1(O)CCC1 ZINC000357060633 386708362 /nfs/dbraw/zinc/70/83/62/386708362.db2.gz CLYGFGWIUDDQSR-UHFFFAOYSA-N 0 3 221.304 0.866 20 0 BCADHN C[C@H]1CN(CCc2c[nH]nn2)CC(C)(C)O1 ZINC000647960918 386731420 /nfs/dbraw/zinc/73/14/20/386731420.db2.gz TXNZKQZULXWJMA-VIFPVBQESA-N 0 3 224.308 0.847 20 0 BCADHN C[C@@H]1CC(NC(=O)C(C)(C)N)C[C@@H](C)O1 ZINC000335534914 386736473 /nfs/dbraw/zinc/73/64/73/386736473.db2.gz VCLCSEZPVAWRKO-HTQZYQBOSA-N 0 3 214.309 0.796 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C2CCN(C)CC2)CO1 ZINC000335535223 386737355 /nfs/dbraw/zinc/73/73/55/386737355.db2.gz WESDEKBJWZNKRR-GXSJLCMTSA-N 0 3 226.320 0.622 20 0 BCADHN COC(=O)CNC(=O)[C@@H](C)N1CC[C@H](C)C1 ZINC000330404886 386714153 /nfs/dbraw/zinc/71/41/53/386714153.db2.gz HHGLNHNWLHIYGD-DTWKUNHWSA-N 0 3 228.292 0.006 20 0 BCADHN COCC(C)(C)CN(C)CCNC(C)=O ZINC000648062933 386714559 /nfs/dbraw/zinc/71/45/59/386714559.db2.gz LNKSMSBXEXIUHJ-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN C[C@@H](O)CN1CCC[C@@H](N2CCCC2=O)C1 ZINC000335540340 386719014 /nfs/dbraw/zinc/71/90/14/386719014.db2.gz TXXJHBHWFOYIGC-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN CN1CCC[C@H](N2CC[C@H](n3cccn3)C2)C1=O ZINC000643396351 386722717 /nfs/dbraw/zinc/72/27/17/386722717.db2.gz CQLSUPAFGWDBNF-RYUDHWBXSA-N 0 3 248.330 0.751 20 0 BCADHN c1nc(CN2CCN3CCC[C@@H]3C2)co1 ZINC000191941893 386724827 /nfs/dbraw/zinc/72/48/27/386724827.db2.gz OHFUWYBTWQEJJB-LLVKDONJSA-N 0 3 207.277 0.955 20 0 BCADHN C[C@H](CNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)N(C)C ZINC000457434583 386725790 /nfs/dbraw/zinc/72/57/90/386725790.db2.gz LYSSHHMOCLBBDU-YTWAJWBKSA-N 0 3 238.331 0.668 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726757 386727589 /nfs/dbraw/zinc/72/75/89/386727589.db2.gz LXPFDWQIWWBAST-MWLCHTKSSA-N 0 3 225.336 0.323 20 0 BCADHN CCC[C@H](C(=O)NCc1nc(C)no1)N(C)C ZINC000330474917 386728048 /nfs/dbraw/zinc/72/80/48/386728048.db2.gz FCHRJWIAHNJWFT-SECBINFHSA-N 0 3 240.307 0.725 20 0 BCADHN CC[C@@H](C(=O)N1CCNC(C)(C)C1)N(C)C ZINC000335543239 386728550 /nfs/dbraw/zinc/72/85/50/386728550.db2.gz UIKWMGOQFPLCSU-JTQLQIEISA-N 0 3 227.352 0.537 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C1(C)COC1 ZINC000334147761 386745943 /nfs/dbraw/zinc/74/59/43/386745943.db2.gz WBQPXYTWCIECCX-LLVKDONJSA-N 0 3 240.347 0.823 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1Cc1cnnn1C ZINC000357239940 386746045 /nfs/dbraw/zinc/74/60/45/386746045.db2.gz UJMWTAIHESHMQG-LBPRGKRZSA-N 0 3 237.351 0.587 20 0 BCADHN COC(=O)[C@@H]1CCN(CC[C@H](C)O)C[C@H]1C ZINC000450834728 386746296 /nfs/dbraw/zinc/74/62/96/386746296.db2.gz MESRXSZLNIFXIH-OUAUKWLOSA-N 0 3 229.320 0.888 20 0 BCADHN CC[C@H](N)C(=O)NCC[C@@H](O)c1ccccc1 ZINC000269055577 386746455 /nfs/dbraw/zinc/74/64/55/386746455.db2.gz GKFQOHDTEJKDIF-NWDGAFQWSA-N 0 3 236.315 0.964 20 0 BCADHN CN(C)[C@@H]1CCCN(CC(=O)N2CCC2)C1 ZINC000334148053 386746479 /nfs/dbraw/zinc/74/64/79/386746479.db2.gz FQZLMMFHWHIMAX-LLVKDONJSA-N 0 3 225.336 0.245 20 0 BCADHN COC(=O)c1cc(NC(=O)[C@H](C)N)cn1C ZINC000269072115 386747395 /nfs/dbraw/zinc/74/73/95/386747395.db2.gz ALPSGPXKDRGFNC-LURJTMIESA-N 0 3 225.248 0.097 20 0 BCADHN CN(Cc1ccon1)C(=O)[C@H]1CCCCN1 ZINC000269075605 386748372 /nfs/dbraw/zinc/74/83/72/386748372.db2.gz WZYTWEBHINUHIA-SNVBAGLBSA-N 0 3 223.276 0.775 20 0 BCADHN CN(Cc1ccon1)C(=O)[C@@H]1CCCCN1 ZINC000269075604 386748583 /nfs/dbraw/zinc/74/85/83/386748583.db2.gz WZYTWEBHINUHIA-JTQLQIEISA-N 0 3 223.276 0.775 20 0 BCADHN C[C@@H]1C[C@H](NCc2cnc(N)nc2N)CS1 ZINC000639263396 386757640 /nfs/dbraw/zinc/75/76/40/386757640.db2.gz UJPWJVMTAHCKFM-SVRRBLITSA-N 0 3 239.348 0.285 20 0 BCADHN CN(C)c1ncc(CNCCN2CCC2)cn1 ZINC000344844355 386758790 /nfs/dbraw/zinc/75/87/90/386758790.db2.gz IDZRTJJXNXQEMO-UHFFFAOYSA-N 0 3 235.335 0.338 20 0 BCADHN CC1(C)CCCN[C@@H]1C(=O)NCC(F)(F)CN ZINC000417801750 386764581 /nfs/dbraw/zinc/76/45/81/386764581.db2.gz CZIJXYGVZNBSKD-MRVPVSSYSA-N 0 3 249.305 0.475 20 0 BCADHN Cc1nnc(CN[C@@H]2CCC[C@H]2CCO)n1C ZINC000330552267 386766507 /nfs/dbraw/zinc/76/65/07/386766507.db2.gz CZMARBKWZYKGTR-WDEREUQCSA-N 0 3 238.335 0.764 20 0 BCADHN CN(CCNC(=O)N(C)C)C[C@H]1CCCCO1 ZINC000348922856 386767182 /nfs/dbraw/zinc/76/71/82/386767182.db2.gz VLWRKSHVDASACS-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN CC[C@](C)(O)CN1CC[C@@H](NC(=O)NC)C1 ZINC000408443687 386767729 /nfs/dbraw/zinc/76/77/29/386767729.db2.gz QSQADOHGTUNGPZ-KOLCDFICSA-N 0 3 229.324 0.151 20 0 BCADHN CCN(C)C(=O)CN(C[C@H](C)O)C(C)C ZINC000340766586 386768734 /nfs/dbraw/zinc/76/87/34/386768734.db2.gz GIDFDWPUQXVEDG-JTQLQIEISA-N 0 3 216.325 0.556 20 0 BCADHN C[C@@H](O)CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000192443899 386768768 /nfs/dbraw/zinc/76/87/68/386768768.db2.gz VFUVLSVNZIKDPE-DTWKUNHWSA-N 0 3 229.324 0.149 20 0 BCADHN C[C@@H](O)CNC(=O)NCCN1CCC[C@H](C)C1 ZINC000192437661 386768937 /nfs/dbraw/zinc/76/89/37/386768937.db2.gz AXJIJQRGUDDSTE-WDEREUQCSA-N 0 3 243.351 0.398 20 0 BCADHN C[C@H](Cn1cccn1)NCC(=O)NCC(F)F ZINC000340851707 386789925 /nfs/dbraw/zinc/78/99/25/386789925.db2.gz SBOQFYHBVNNXLU-MRVPVSSYSA-N 0 3 246.261 0.243 20 0 BCADHN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CN2CCN1CCC2 ZINC000428074965 386796688 /nfs/dbraw/zinc/79/66/88/386796688.db2.gz PCIJBOKISCITLC-QNWHQSFQSA-N 0 3 249.358 0.291 20 0 BCADHN CCCN(C)C(=O)N[C@@H](C)CN(C)C ZINC000344893817 386791636 /nfs/dbraw/zinc/79/16/36/386791636.db2.gz CRPQLWUQSSZDFT-VIFPVBQESA-N 0 3 201.314 0.988 20 0 BCADHN C[C@H](O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000248744799 386792437 /nfs/dbraw/zinc/79/24/37/386792437.db2.gz MYFBFTOUOOXXRY-VHSXEESVSA-N 0 3 209.293 0.590 20 0 BCADHN COC[C@@H](C)CN1CCSC[C@@H]1CO ZINC000639397036 386793327 /nfs/dbraw/zinc/79/33/27/386793327.db2.gz HMEBOFUMUGCAFD-UWVGGRQHSA-N 0 3 219.350 0.679 20 0 BCADHN CCN(CCNC(=O)c1cnn(C)c1)C1CC1 ZINC000101958792 386794591 /nfs/dbraw/zinc/79/45/91/386794591.db2.gz SLLLEBLCEPCZJE-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN CCN(CC)CC(=O)N(C)[C@@H]1CCCOC1 ZINC000340880284 386795720 /nfs/dbraw/zinc/79/57/20/386795720.db2.gz CYBVZHLVEGETFI-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCOC(=O)CCN1CCC[C@@H](O)[C@H]1C ZINC000394973823 386770602 /nfs/dbraw/zinc/77/06/02/386770602.db2.gz KJNGOHQMZBGKTM-NXEZZACHSA-N 0 3 215.293 0.785 20 0 BCADHN CCC(CC)(NC(=O)CNC(C)C)C(=O)OC ZINC000583511569 386777410 /nfs/dbraw/zinc/77/74/10/386777410.db2.gz MODQVKGSGMSRHN-UHFFFAOYSA-N 0 3 244.335 0.832 20 0 BCADHN CC(C)(C)OCCN1CC[C@@H](NC(N)=O)C1 ZINC000330534801 386778006 /nfs/dbraw/zinc/77/80/06/386778006.db2.gz VJXGNOLLEFOZEP-SECBINFHSA-N 0 3 229.324 0.958 20 0 BCADHN CSCCCN1CC[C@@H](NC(N)=O)C1 ZINC000330538644 386781639 /nfs/dbraw/zinc/78/16/39/386781639.db2.gz YDBVTGIUONZMPO-MRVPVSSYSA-N 0 3 217.338 0.896 20 0 BCADHN CC(C)N(CC(=O)NCC1CC1)C[C@H](C)O ZINC000340823536 386783513 /nfs/dbraw/zinc/78/35/13/386783513.db2.gz OUXDQKQOYZRKFP-JTQLQIEISA-N 0 3 228.336 0.604 20 0 BCADHN OC[C@@H]1C[C@H](F)CN1C[C@@H]1CCCOC1 ZINC000344876347 386786100 /nfs/dbraw/zinc/78/61/00/386786100.db2.gz OEMWEROKCQBLIG-DCAQKATOSA-N 0 3 217.284 0.818 20 0 BCADHN O=C(CCN1CC[C@@H](O)C1)N1CCCCC1 ZINC000114486102 386786361 /nfs/dbraw/zinc/78/63/61/386786361.db2.gz SXOUUMCHEPVSQU-LLVKDONJSA-N 0 3 226.320 0.456 20 0 BCADHN OC[C@@H]1C[C@@H](F)CN1C[C@H]1CCCOC1 ZINC000344876351 386787008 /nfs/dbraw/zinc/78/70/08/386787008.db2.gz OEMWEROKCQBLIG-MXWKQRLJSA-N 0 3 217.284 0.818 20 0 BCADHN CN(C)CCN(Cc1ccccn1)C(N)=O ZINC000340855341 386788351 /nfs/dbraw/zinc/78/83/51/386788351.db2.gz LHQHKDRYHYBBHW-UHFFFAOYSA-N 0 3 222.292 0.524 20 0 BCADHN C[C@@H](NCC1(CO)CCOCC1)c1ncc[nH]1 ZINC000330613820 386788321 /nfs/dbraw/zinc/78/83/21/386788321.db2.gz RPCWUEPXSNOWRW-SNVBAGLBSA-N 0 3 239.319 0.849 20 0 BCADHN C[C@@H](N[C@@H]1CCSC1)C(=O)NCCF ZINC000336672091 386819009 /nfs/dbraw/zinc/81/90/09/386819009.db2.gz ZPISIONSLUUSSV-HTQZYQBOSA-N 0 3 220.313 0.556 20 0 BCADHN Cc1cc(C(=O)NC[C@@H](C)N2CCCC2)cnn1 ZINC000527312530 386821214 /nfs/dbraw/zinc/82/12/14/386821214.db2.gz FWJMVSWQALNAGN-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CC[C@@H](C)O2)C[C@H]1O ZINC000395362873 386821490 /nfs/dbraw/zinc/82/14/90/386821490.db2.gz JUAOPYRWCHPXMO-GWOFURMSSA-N 0 3 215.293 0.245 20 0 BCADHN CN1CC[C@@H]2CN(Cc3cc[nH]n3)C[C@@H]21 ZINC000334772890 386824906 /nfs/dbraw/zinc/82/49/06/386824906.db2.gz WQWLDCGPLMDOHQ-KOLCDFICSA-N 0 3 206.293 0.546 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1CCNCC1 ZINC000020521118 386797153 /nfs/dbraw/zinc/79/71/53/386797153.db2.gz AJCJUKHAFYNMKA-SNVBAGLBSA-N 0 3 213.325 0.147 20 0 BCADHN C[C@H](NC[C@@H]1CC[C@H](CO)O1)c1cnn(C)c1 ZINC000340421377 386798290 /nfs/dbraw/zinc/79/82/90/386798290.db2.gz VOWKPRWSBBHOSR-ZMLRMANQSA-N 0 3 239.319 0.611 20 0 BCADHN Cn1nccc1CNCC[C@H](O)C(F)(F)F ZINC000336669173 386800289 /nfs/dbraw/zinc/80/02/89/386800289.db2.gz GONGXKGETCVMGS-QMMMGPOBSA-N 0 3 237.225 0.823 20 0 BCADHN CS[C@H]1CN(Cc2c[nH]cn2)C[C@H]1N(C)C ZINC000280293809 386800401 /nfs/dbraw/zinc/80/04/01/386800401.db2.gz UWMVKZJGTQFTJH-MNOVXSKESA-N 0 3 240.376 0.887 20 0 BCADHN CC[C@@H](O)CN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000366882744 386800958 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/nfs/dbraw/zinc/80/90/61/386809061.db2.gz QWUYJDKLXGUUMQ-PELKAZGASA-N 0 3 248.330 0.931 20 0 BCADHN CO[C@@H]1CN(CCN2CCCCC2)C[C@H]1O ZINC000395297451 386809452 /nfs/dbraw/zinc/80/94/52/386809452.db2.gz FSVPJYDECSWOOT-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN CS[C@@H](CO)[C@@H](C)NCc1cnc(C)nc1 ZINC000336670160 386809548 /nfs/dbraw/zinc/80/95/48/386809548.db2.gz GRCYQCHJNKPCQM-KCJUWKMLSA-N 0 3 241.360 0.987 20 0 BCADHN CO[C@@H]1CN(CCCCCF)C[C@H]1O ZINC000395335423 386813050 /nfs/dbraw/zinc/81/30/50/386813050.db2.gz USIFYRLCPAYWQT-NXEZZACHSA-N 0 3 205.273 0.818 20 0 BCADHN CC(C)COC[C@H](O)CN1CC[C@@H](C)[C@@H](O)C1 ZINC000330657941 386813346 /nfs/dbraw/zinc/81/33/46/386813346.db2.gz ORYWSOSHIBZCOM-UPJWGTAASA-N 0 3 245.363 0.723 20 0 BCADHN CO[C@@H]1CN(CCOC(C)(C)C)C[C@H]1O ZINC000395335523 386813365 /nfs/dbraw/zinc/81/33/65/386813365.db2.gz CRMZJQHHUNFYCR-NXEZZACHSA-N 0 3 217.309 0.493 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000341002197 386814971 /nfs/dbraw/zinc/81/49/71/386814971.db2.gz NKBHXAJPAHFVHY-LLVKDONJSA-N 0 3 239.363 0.681 20 0 BCADHN Cc1nocc1CNC[C@]1(O)CCO[C@@H]1C ZINC000293359486 386826169 /nfs/dbraw/zinc/82/61/69/386826169.db2.gz UMKPXIXGZIGLGA-MWLCHTKSSA-N 0 3 226.276 0.613 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCN(C)C[C@@H]1C ZINC000211764422 386831411 /nfs/dbraw/zinc/83/14/11/386831411.db2.gz DKMIAZCBSZVMSL-VHSXEESVSA-N 0 3 213.325 0.132 20 0 BCADHN C[C@@]1(CCCO)CCCN1CC(=O)NC(N)=O ZINC000330691187 386832220 /nfs/dbraw/zinc/83/22/20/386832220.db2.gz YZNMWRBCSJNZFR-NSHDSACASA-N 0 3 243.307 0.222 20 0 BCADHN CC(C)N(C)C(=O)CN[C@@](C)(CO)C(C)C ZINC000398507328 386834559 /nfs/dbraw/zinc/83/45/59/386834559.db2.gz KQTRSBMFLFVFCN-LBPRGKRZSA-N 0 3 230.352 0.850 20 0 BCADHN CNS(=O)(=O)CCN[C@@H]1CC[C@@H]1SC ZINC000425338771 386839735 /nfs/dbraw/zinc/83/97/35/386839735.db2.gz QEPHLQPBJZEMJW-SFYZADRCSA-N 0 3 238.378 0.019 20 0 BCADHN CC[C@@H](C(=O)NCC(C)(C)O)N(C)C ZINC000125384041 386840860 /nfs/dbraw/zinc/84/08/60/386840860.db2.gz JTVPTDXXRZWOMV-QMMMGPOBSA-N 0 3 202.298 0.214 20 0 BCADHN CN(CCNC(=O)[C@@](C)(O)C1CC1)C1CC1 ZINC000341104081 386841086 /nfs/dbraw/zinc/84/10/86/386841086.db2.gz SJCPSVPCMNPAFB-LBPRGKRZSA-N 0 3 226.320 0.358 20 0 BCADHN Cc1ccncc1[C@H](C)NC[C@@H](O)CN(C)C ZINC000357778301 386844096 /nfs/dbraw/zinc/84/40/96/386844096.db2.gz NEXLGESZQLBWIJ-NWDGAFQWSA-N 0 3 237.347 0.963 20 0 BCADHN CCOC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000331365962 386845194 /nfs/dbraw/zinc/84/51/94/386845194.db2.gz CTVUFSYVWMWHOE-MXWKQRLJSA-N 0 3 226.320 0.609 20 0 BCADHN CC[C@H]1CCN(CC(=O)N2CCNC2=O)C1 ZINC000125513423 386848043 /nfs/dbraw/zinc/84/80/43/386848043.db2.gz CRCHUQVKFJUDBN-VIFPVBQESA-N 0 3 225.292 0.270 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCCCn1ccnc1 ZINC000645185849 386849529 /nfs/dbraw/zinc/84/95/29/386849529.db2.gz SBNYCVNFDPPSMT-SNVBAGLBSA-N 0 3 236.319 0.387 20 0 BCADHN C[C@H](N[C@H]1CN(C2CC2)C[C@H]1C)C(=O)N(C)C ZINC000357829443 386849864 /nfs/dbraw/zinc/84/98/64/386849864.db2.gz BTEXOGCJSCYXLH-SCVCMEIPSA-N 0 3 239.363 0.535 20 0 BCADHN CN(C)CCNC(=O)CCOCC(F)F ZINC000358091683 386891284 /nfs/dbraw/zinc/89/12/84/386891284.db2.gz KSUMIYVHCPTMAY-UHFFFAOYSA-N 0 3 224.251 0.336 20 0 BCADHN C[C@H](CCO)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331751020 386892042 /nfs/dbraw/zinc/89/20/42/386892042.db2.gz GMJILGFZKHZPQB-ZJUUUORDSA-N 0 3 241.335 0.293 20 0 BCADHN C[C@H](CNC(=O)CC(C)(C)O)N(C)C1CC1 ZINC000331750953 386892395 /nfs/dbraw/zinc/89/23/95/386892395.db2.gz KAZXMFXHJJQASN-SECBINFHSA-N 0 3 228.336 0.746 20 0 BCADHN CCCC(=O)N[C@@H](CO)CN1CCCCC1 ZINC000330803713 386892993 /nfs/dbraw/zinc/89/29/93/386892993.db2.gz KAUSWBFKISWMBY-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN CC[C@@]1(O)CCN([C@H]2CCCNC2=O)C1 ZINC000334790990 386856258 /nfs/dbraw/zinc/85/62/58/386856258.db2.gz YZXDAVXPYIUNMV-GXSJLCMTSA-N 0 3 212.293 0.112 20 0 BCADHN COCc1nsc(N(C)CCN(C)C)n1 ZINC000301568877 386856467 /nfs/dbraw/zinc/85/64/67/386856467.db2.gz 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CCN(CCO)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341203602 386860200 /nfs/dbraw/zinc/86/02/00/386860200.db2.gz ORYAYAKKAUYHLI-GHMZBOCLSA-N 0 3 243.351 0.493 20 0 BCADHN CCCCNC(=O)CCN(CC(N)=O)C(C)C ZINC000341199116 386860344 /nfs/dbraw/zinc/86/03/44/386860344.db2.gz XYERVRKWNYNCRS-UHFFFAOYSA-N 0 3 243.351 0.489 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CC[C@H]1C ZINC000331487687 386861017 /nfs/dbraw/zinc/86/10/17/386861017.db2.gz XYEVRQTYTCZPEI-DOLQZWNJSA-N 0 3 212.293 0.217 20 0 BCADHN COC(=O)[C@H](C)N1CCN(C)[C@H](C(C)C)C1 ZINC000488031868 533200304 /nfs/dbraw/zinc/20/03/04/533200304.db2.gz MNIQQPXKNLCVHQ-QWRGUYRKSA-N 0 3 228.336 0.820 20 0 BCADHN CC(C)N(C)CC(=O)N(C)Cc1ncon1 ZINC000330716280 386865808 /nfs/dbraw/zinc/86/58/08/386865808.db2.gz CTRPEIVCOMYKLQ-UHFFFAOYSA-N 0 3 226.280 0.368 20 0 BCADHN CN(CCNC(=O)C1CCC(O)CC1)C1CC1 ZINC000331523627 386865679 /nfs/dbraw/zinc/86/56/79/386865679.db2.gz NGYFMRCVDJKALK-UHFFFAOYSA-N 0 3 240.347 0.748 20 0 BCADHN CN(C)CC(=O)N1CCN(C)CC1(C)C ZINC000335745598 386866610 /nfs/dbraw/zinc/86/66/10/386866610.db2.gz NAWQULMLOCESIH-UHFFFAOYSA-N 0 3 213.325 0.101 20 0 BCADHN CO[C@@H](C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357940802 386868850 /nfs/dbraw/zinc/86/88/50/386868850.db2.gz AHJYODPMOQTANI-ZJUUUORDSA-N 0 3 226.320 0.788 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCCO1)C1=CCN(C)CC1 ZINC000334832425 386871270 /nfs/dbraw/zinc/87/12/70/386871270.db2.gz CHUAHSJVJDLPLR-PWSUYJOCSA-N 0 3 238.331 0.932 20 0 BCADHN CN1CCCN(C(=O)N[C@H]2CCCOC2)CC1 ZINC000334832736 386871423 /nfs/dbraw/zinc/87/14/23/386871423.db2.gz HQRHPHNOGVRMQN-NSHDSACASA-N 0 3 241.335 0.513 20 0 BCADHN COC(=O)CCN1CCC(CNC(C)=O)CC1 ZINC000051856476 386873567 /nfs/dbraw/zinc/87/35/67/386873567.db2.gz AAQCDXRMBFDTHC-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN CN(C)CCN(C)C(=O)[C@]1(C)CCCOC1 ZINC000357963025 386873746 /nfs/dbraw/zinc/87/37/46/386873746.db2.gz RSURJJXZDRPEJV-GFCCVEGCSA-N 0 3 228.336 0.823 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@](C)(O)C1CC1)N(C)C ZINC000349549276 386874265 /nfs/dbraw/zinc/87/42/65/386874265.db2.gz WWRKTCCKMGXPKB-YPMHNXCESA-N 0 3 242.363 0.850 20 0 BCADHN CC(C)[C@H](O)C(=O)N(C)CCN(C)C ZINC000353658581 386876289 /nfs/dbraw/zinc/87/62/89/386876289.db2.gz WZPZWOUVAQFNKD-VIFPVBQESA-N 0 3 202.298 0.023 20 0 BCADHN CC(C)(O)[C@H]1CCCN1CC(=O)NCC1CC1 ZINC000331642129 386878361 /nfs/dbraw/zinc/87/83/61/386878361.db2.gz JLWPGNYQRJFRAA-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)(O)CC(=O)N1CCN2CCC1CC2 ZINC000335755846 386882714 /nfs/dbraw/zinc/88/27/14/386882714.db2.gz DQTZKNYMLKCEPK-UHFFFAOYSA-N 0 3 226.320 0.454 20 0 BCADHN CC(C)CCC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358043804 386883556 /nfs/dbraw/zinc/88/35/56/386883556.db2.gz ASSSXIYUMDANTN-LBPRGKRZSA-N 0 3 228.336 0.605 20 0 BCADHN Cc1ccncc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358059028 386885019 /nfs/dbraw/zinc/88/50/19/386885019.db2.gz CRZFQJQBLNEYHT-ZDUSSCGKSA-N 0 3 249.314 0.186 20 0 BCADHN Cc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cn1 ZINC000358058155 386886077 /nfs/dbraw/zinc/88/60/77/386886077.db2.gz 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0.350 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C2(C)COC2)CN1C1CC1 ZINC000335771317 386917943 /nfs/dbraw/zinc/91/79/43/386917943.db2.gz IZADWFXHNDNLJG-VHSXEESVSA-N 0 3 238.331 0.764 20 0 BCADHN COC1CN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000349645154 386895886 /nfs/dbraw/zinc/89/58/86/386895886.db2.gz JWKJUTIVAZNLQG-JTQLQIEISA-N 0 3 214.309 0.430 20 0 BCADHN CCn1nncc1CN[C@@H]1CCCN(C)[C@@H]1C ZINC000418011275 386897331 /nfs/dbraw/zinc/89/73/31/386897331.db2.gz USASOVQZLQUVFR-ZYHUDNBSSA-N 0 3 237.351 0.870 20 0 BCADHN C[C@]1(C(N)=O)CCN(CC(=O)N2CCC2)C1 ZINC000331781030 386902366 /nfs/dbraw/zinc/90/23/66/386902366.db2.gz NTCIRTLRKNVZKG-NSHDSACASA-N 0 3 225.292 0.466 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H](CO)c1cccc(F)c1 ZINC000358180061 386909379 /nfs/dbraw/zinc/90/93/79/386909379.db2.gz SFYSNIYCCMOWHU-KWQFWETISA-N 0 3 240.278 0.713 20 0 BCADHN CC[C@H](O)CC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000331818678 386912163 /nfs/dbraw/zinc/91/21/63/386912163.db2.gz YWFCSTQTSPHHPN-DLOVCJGASA-N 0 3 240.347 0.746 20 0 BCADHN C(CN1CCO[C@@H]2C[C@@H]21)N1CCCCC1 ZINC000367849341 386913396 /nfs/dbraw/zinc/91/33/96/386913396.db2.gz XMEVYNYSLONGFT-NWDGAFQWSA-N 0 3 210.321 0.945 20 0 BCADHN Cc1cncc(N2CCCN(C)CC2)n1 ZINC000302242122 386920566 /nfs/dbraw/zinc/92/05/66/386920566.db2.gz YJDPYUMGLOVTAB-UHFFFAOYSA-N 0 3 206.293 0.927 20 0 BCADHN Cc1cnc([C@H](C)NC(=O)[C@@H]2C[C@@H]2N)o1 ZINC000331930137 386926196 /nfs/dbraw/zinc/92/61/96/386926196.db2.gz QQCHKDSPQWYQFE-RNJXMRFFSA-N 0 3 209.249 0.507 20 0 BCADHN CN1CCC(CCO)(NC(=O)C2CC2)CC1 ZINC000331927311 386926738 /nfs/dbraw/zinc/92/67/38/386926738.db2.gz GKCMTRUFKQPXHY-UHFFFAOYSA-N 0 3 226.320 0.359 20 0 BCADHN CCN(CC)CC(=O)N1CCNC[C@@H]1C(F)F ZINC000368003970 386928700 /nfs/dbraw/zinc/92/87/00/386928700.db2.gz ATXZZIPTQPUCFU-SECBINFHSA-N 0 3 249.305 0.394 20 0 BCADHN C[C@@H](O)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000368001828 386928964 /nfs/dbraw/zinc/92/89/64/386928964.db2.gz RFTAMAJDZBBQDD-BXKDBHETSA-N 0 3 246.326 0.696 20 0 BCADHN CC[C@H]1C[C@@H](C)CN1CC(=O)NCC(=O)OC ZINC000330959046 386930752 /nfs/dbraw/zinc/93/07/52/386930752.db2.gz XDKGOMOBKSSHCY-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@@H](C(=O)N1CCNC(=O)C1)N(CC)CC ZINC000330972371 386931798 /nfs/dbraw/zinc/93/17/98/386931798.db2.gz FTIACCNRAJKJNM-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CC(C(=O)NCc1cccn1C)S(C)(=O)=O ZINC000330922098 386931855 /nfs/dbraw/zinc/93/18/55/386931855.db2.gz BCGRWEZRZHKQDX-QMMMGPOBSA-N 0 3 244.316 0.074 20 0 BCADHN Cc1nc(CN[C@]2(C)CCO[C@@H]2C)n[nH]1 ZINC000336763001 386933969 /nfs/dbraw/zinc/93/39/69/386933969.db2.gz ORLYIEOCFPDTBT-GMSGAONNSA-N 0 3 210.281 0.770 20 0 BCADHN COC(=O)C1(CN[C@@H]2C(=O)NCC[C@H]2C)CC1 ZINC000331980471 386934208 /nfs/dbraw/zinc/93/42/08/386934208.db2.gz ONBYZALOAHJYNJ-BDAKNGLRSA-N 0 3 240.303 0.054 20 0 BCADHN CN(CCC(=O)N(C)C)C[C@H]1CCCO1 ZINC000341612054 386935337 /nfs/dbraw/zinc/93/53/37/386935337.db2.gz WIMPHQCNRFVRMI-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN Cc1c(CN2CC[C@H]3C(=O)NC[C@@H]3C2)cnn1C ZINC000368064586 386936507 /nfs/dbraw/zinc/93/65/07/386936507.db2.gz QEOBEYZHAMFMHR-VXGBXAGGSA-N 0 3 248.330 0.296 20 0 BCADHN Cc1cncc(CN2CC[C@@H]3C(=O)NC[C@H]3C2)c1 ZINC000368065721 386937914 /nfs/dbraw/zinc/93/79/14/386937914.db2.gz UUESFRDHABNOSH-STQMWFEESA-N 0 3 245.326 0.958 20 0 BCADHN CC(C)N(C)CC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000334877926 386938368 /nfs/dbraw/zinc/93/83/68/386938368.db2.gz DQVLKDMXRQEOHT-VXGBXAGGSA-N 0 3 241.379 0.878 20 0 BCADHN CCC[C@H](C(=O)NC[C@@H](CO)C1CC1)N(C)C ZINC000358358496 386942014 /nfs/dbraw/zinc/94/20/14/386942014.db2.gz TZOYFFAQWUARBA-NWDGAFQWSA-N 0 3 242.363 0.851 20 0 BCADHN CN(C)C1(CNC(=O)c2ccn[nH]2)CCC1 ZINC000332015804 386942297 /nfs/dbraw/zinc/94/22/97/386942297.db2.gz LAKDXEQFBYGWFZ-UHFFFAOYSA-N 0 3 222.292 0.624 20 0 BCADHN CCN(CCC1(O)CCC1)[C@@H]1CCNC1=O ZINC000332020722 386942503 /nfs/dbraw/zinc/94/25/03/386942503.db2.gz LWKNKSKZWCMJNG-SNVBAGLBSA-N 0 3 226.320 0.502 20 0 BCADHN CO[C@H](C)[C@@H](C)NC(=O)NC1CCN(C)CC1 ZINC000341627732 386945153 /nfs/dbraw/zinc/94/51/53/386945153.db2.gz ZOGBWWAKDYQYAX-NXEZZACHSA-N 0 3 243.351 0.803 20 0 BCADHN CC(C)[C@H](CO)C(=O)NC1(CN(C)C)CCC1 ZINC000332064752 386954293 /nfs/dbraw/zinc/95/42/93/386954293.db2.gz RFCVHZJFSHXXCN-NSHDSACASA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000332068735 386955791 /nfs/dbraw/zinc/95/57/91/386955791.db2.gz UGDJXUHTPYZWHZ-JGZJWPJOSA-N 0 3 214.309 0.356 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000332070353 386956207 /nfs/dbraw/zinc/95/62/07/386956207.db2.gz VBSLXBUQZDVRMP-LPEHRKFASA-N 0 3 242.319 0.252 20 0 BCADHN CCC[C@H](C(=O)N[C@H]1C[C@@H](O)C1)N(C)C ZINC000332079823 386959850 /nfs/dbraw/zinc/95/98/50/386959850.db2.gz ZCQHUNHWUGJCJY-KXUCPTDWSA-N 0 3 214.309 0.356 20 0 BCADHN O=C(CN1CCC[C@@H]1CCCO)NC1CC1 ZINC000052762305 386960408 /nfs/dbraw/zinc/96/04/08/386960408.db2.gz WGWXRKHZPYBMKF-LLVKDONJSA-N 0 3 226.320 0.502 20 0 BCADHN CC[C@H](N[C@@H]1COC(C)(C)C1)C(=O)NC ZINC000418116643 386963381 /nfs/dbraw/zinc/96/33/81/386963381.db2.gz QUYQLGZLJPYNKX-IUCAKERBSA-N 0 3 214.309 0.668 20 0 BCADHN CC(C)[C@H](O)CNC(=O)N[C@H](C)CN(C)C ZINC000358490814 386963397 /nfs/dbraw/zinc/96/33/97/386963397.db2.gz DLCQFGNRAKMLLL-NXEZZACHSA-N 0 3 231.340 0.253 20 0 BCADHN CC(C)[C@H](O)CNC(=O)N[C@@H](C)CN(C)C ZINC000358490817 386964949 /nfs/dbraw/zinc/96/49/49/386964949.db2.gz DLCQFGNRAKMLLL-VHSXEESVSA-N 0 3 231.340 0.253 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@]1(C)CCOC1 ZINC000358494521 386967350 /nfs/dbraw/zinc/96/73/50/386967350.db2.gz BNAAQPWKUBAYRB-GXSJLCMTSA-N 0 3 229.324 0.415 20 0 BCADHN CC[C@@H](CCO)CNC(=O)C(N)C(F)(F)F ZINC000352919417 386968035 /nfs/dbraw/zinc/96/80/35/386968035.db2.gz XUNBBTLFVLYIAN-NKWVEPMBSA-N 0 3 242.241 0.401 20 0 BCADHN COC(=O)C1(O)CCN(C[C@@H](O)C(C)C)CC1 ZINC000368395026 386968317 /nfs/dbraw/zinc/96/83/17/386968317.db2.gz YAYXZFSEGLQVMF-SNVBAGLBSA-N 0 3 245.319 0.003 20 0 BCADHN CC(C)CC[C@@H](O)CN1CC[C@@H](NC(N)=O)C1 ZINC000331117369 386968367 /nfs/dbraw/zinc/96/83/67/386968367.db2.gz MQXGRRVCQVSAMY-GHMZBOCLSA-N 0 3 243.351 0.940 20 0 BCADHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccnn1C ZINC000332282671 386969318 /nfs/dbraw/zinc/96/93/18/386969318.db2.gz YHQQWJBAZHKQTH-UWVGGRQHSA-N 0 3 246.318 0.677 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)CC(C)(C)O ZINC000358521868 386970615 /nfs/dbraw/zinc/97/06/15/386970615.db2.gz PQOISWAEQRWMGK-VIFPVBQESA-N 0 3 231.340 0.349 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(CCO)C1CCC1 ZINC000358519527 386971358 /nfs/dbraw/zinc/97/13/58/386971358.db2.gz FRUYILDUZSJLCF-SNVBAGLBSA-N 0 3 243.351 0.493 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCCCCCO ZINC000358519070 386971647 /nfs/dbraw/zinc/97/16/47/386971647.db2.gz LHDNEARVGISHNR-JTQLQIEISA-N 0 3 231.340 0.398 20 0 BCADHN C[C@]1(CO)CCC[C@H]1NCC(=O)N1CCC1 ZINC000393767748 386972769 /nfs/dbraw/zinc/97/27/69/386972769.db2.gz CGXVBKCADVHNQD-ZYHUDNBSSA-N 0 3 226.320 0.359 20 0 BCADHN Cc1c[nH]nc1CNC[C@@H](CO)[C@@H]1CCOC1 ZINC000352951664 386972928 /nfs/dbraw/zinc/97/29/28/386972928.db2.gz VDSUBBCOXNXFNE-MNOVXSKESA-N 0 3 239.319 0.453 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000352947993 386973354 /nfs/dbraw/zinc/97/33/54/386973354.db2.gz RRVXABFEQMVWLI-CKYFFXLPSA-N 0 3 244.335 0.018 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCCC1CC(O)C1 ZINC000358524729 386973895 /nfs/dbraw/zinc/97/38/95/386973895.db2.gz NDSDWDSSBDLWLT-WHXUTIOJSA-N 0 3 243.351 0.397 20 0 BCADHN CCC[C@H]1CCCN(C(=O)[C@H](CN)OC)C1 ZINC000352947692 386974134 /nfs/dbraw/zinc/97/41/34/386974134.db2.gz YNFQQWNYWSWKEZ-QWRGUYRKSA-N 0 3 228.336 0.999 20 0 BCADHN CCC[C@@](C)(O)CNC(=O)N[C@H](C)CN(C)C ZINC000358523091 386974526 /nfs/dbraw/zinc/97/45/26/386974526.db2.gz SJIXKYIJPVXGAN-ZYHUDNBSSA-N 0 3 245.367 0.787 20 0 BCADHN c1ncn(CCN2CCC[C@H]3OCC[C@H]32)n1 ZINC000368449179 386974646 /nfs/dbraw/zinc/97/46/46/386974646.db2.gz IQDUDYXRGPTMOS-GHMZBOCLSA-N 0 3 222.292 0.531 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1CC[C@@H]1SC ZINC000425360195 386976844 /nfs/dbraw/zinc/97/68/44/386976844.db2.gz SKPWZADGEYJQGY-CIUDSAMLSA-N 0 3 216.350 0.995 20 0 BCADHN CC[C@H](O)CN1CC[C@@H](c2nc(C)no2)C1 ZINC000332426327 386976879 /nfs/dbraw/zinc/97/68/79/386976879.db2.gz UGPUWTUDWSDPLP-ZJUUUORDSA-N 0 3 225.292 0.938 20 0 BCADHN CO[C@H](C)C[N@@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000332423727 386978100 /nfs/dbraw/zinc/97/81/00/386978100.db2.gz TUFFZYYQAYPAAY-BDAKNGLRSA-N 0 3 210.281 0.629 20 0 BCADHN CO[C@H](C)C[N@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000332423727 386978101 /nfs/dbraw/zinc/97/81/01/386978101.db2.gz TUFFZYYQAYPAAY-BDAKNGLRSA-N 0 3 210.281 0.629 20 0 BCADHN CC[C@H](CNC(=O)NCCN(C)CC)OC ZINC000358593918 386985584 /nfs/dbraw/zinc/98/55/84/386985584.db2.gz ONYLZMQRIBDYCN-SNVBAGLBSA-N 0 3 231.340 0.662 20 0 BCADHN COC[C@H](O)CN1CC[C@@H](COC(F)F)C1 ZINC000353009845 386986281 /nfs/dbraw/zinc/98/62/81/386986281.db2.gz RPRDBFSFFATTEM-RKDXNWHRSA-N 0 3 239.262 0.555 20 0 BCADHN CCO[C@@H](CCNC(=O)[C@H](CN)OC)C(C)C ZINC000353008579 386987171 /nfs/dbraw/zinc/98/71/71/386987171.db2.gz DFFMXSDVRAENKV-QWRGUYRKSA-N 0 3 246.351 0.528 20 0 BCADHN CN(C[C@H]1CCOC1)C(=O)C(N)C(F)(F)F ZINC000352998561 386987402 /nfs/dbraw/zinc/98/74/02/386987402.db2.gz GPZMOEKDFRUSQN-RQJHMYQMSA-N 0 3 240.225 0.371 20 0 BCADHN CSC1(C(=O)N(C)CCN(C)C)CC1 ZINC000353015173 386988731 /nfs/dbraw/zinc/98/87/31/386988731.db2.gz LRRWICYFPTXENL-UHFFFAOYSA-N 0 3 216.350 0.902 20 0 BCADHN CC(C)[C@H](CO)C(=O)N[C@@H](C)CN(C)C ZINC000332518321 386989690 /nfs/dbraw/zinc/98/96/90/386989690.db2.gz QFLAWIWYKXXMJJ-UWVGGRQHSA-N 0 3 216.325 0.317 20 0 BCADHN CC[C@H](NC(=O)CN(C)C(C)C)C(C)(C)O ZINC000358617699 386990162 /nfs/dbraw/zinc/99/01/62/386990162.db2.gz LVPAYCLTZYMWIU-JTQLQIEISA-N 0 3 230.352 0.992 20 0 BCADHN C[C@H]1C[C@@H](CO)CN(CC(=O)N(C)C2CC2)C1 ZINC000398851207 387008406 /nfs/dbraw/zinc/00/84/06/387008406.db2.gz VDYMXXZHBXFUFB-WDEREUQCSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@H]1CN(C(=O)c2cnc(C3CC3)[nH]2)CCN1 ZINC000334915082 386990284 /nfs/dbraw/zinc/99/02/84/386990284.db2.gz LBKDTSVUYVNDBC-QMMMGPOBSA-N 0 3 234.303 0.721 20 0 BCADHN CC(C)CCCNC(=O)C(C)S(C)(=O)=O ZINC000332529319 386990515 /nfs/dbraw/zinc/99/05/15/386990515.db2.gz XBKCTVDLVIAMOP-SECBINFHSA-N 0 3 235.349 0.972 20 0 BCADHN Cc1[nH]ncc1CN1CC[C@@H](S(C)(=O)=O)C1 ZINC000332599877 386992360 /nfs/dbraw/zinc/99/23/60/386992360.db2.gz AOUMWCJEAGAVPE-SNVBAGLBSA-N 0 3 243.332 0.337 20 0 BCADHN Cc1nc(C(=O)NCCN2CCCC2)co1 ZINC000648098397 386992403 /nfs/dbraw/zinc/99/24/03/386992403.db2.gz OPVOPOKYXJHIOH-UHFFFAOYSA-N 0 3 223.276 0.809 20 0 BCADHN C[C@H]1CSC[C@@H]1NC(=O)N1CCCNCC1 ZINC000334917816 386993954 /nfs/dbraw/zinc/99/39/54/386993954.db2.gz CNUFQDDFMGSQBL-UWVGGRQHSA-N 0 3 243.376 0.743 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@](C)(O)C2CC2)CCN1C ZINC000341925547 386996465 /nfs/dbraw/zinc/99/64/65/386996465.db2.gz GGCAEQQPRCTRDC-IRUJWGPZSA-N 0 3 240.347 0.746 20 0 BCADHN Cn1cc([C@@H](CO)NCC[C@H]2CCOC2)cn1 ZINC000331247045 386998773 /nfs/dbraw/zinc/99/87/73/386998773.db2.gz SPQONLPWSHYFEM-CMPLNLGQSA-N 0 3 239.319 0.470 20 0 BCADHN C[C@@H](O)CCCNC(=O)C12CCCN1CCC2 ZINC000368667931 386999639 /nfs/dbraw/zinc/99/96/39/386999639.db2.gz UMSAKBRYPQFUGN-LLVKDONJSA-N 0 3 240.347 0.892 20 0 BCADHN COC[C@@H]1CCCN1C(=O)[C@H](N)CC(F)F ZINC000648100390 386999822 /nfs/dbraw/zinc/99/98/22/386999822.db2.gz WVODXPXJNMWHSU-JGVFFNPUSA-N 0 3 236.262 0.606 20 0 BCADHN COC[C@H]1CCCN1C(=O)[C@@H](N)CC(F)F ZINC000648100391 386999865 /nfs/dbraw/zinc/99/98/65/386999865.db2.gz WVODXPXJNMWHSU-SFYZADRCSA-N 0 3 236.262 0.606 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N(C)C[C@H]2CCOC2)C1 ZINC000398819881 386999826 /nfs/dbraw/zinc/99/98/26/386999826.db2.gz CDIUBRDRPCZXLA-UTUOFQBUSA-N 0 3 240.347 0.869 20 0 BCADHN COC[C@@H]1CCCN1C(=O)[C@H]1NCC1(C)C ZINC000648100152 387000975 /nfs/dbraw/zinc/00/09/75/387000975.db2.gz BNVUNQTZDJWFMJ-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N(C)C[C@@H]2CCOC2)C1 ZINC000398819874 387001617 /nfs/dbraw/zinc/00/16/17/387001617.db2.gz CDIUBRDRPCZXLA-GRYCIOLGSA-N 0 3 240.347 0.869 20 0 BCADHN C=Cn1cc(CN[C@H]2CCN(C(C)=O)C2)cn1 ZINC000331325711 387004274 /nfs/dbraw/zinc/00/42/74/387004274.db2.gz OJQRSWUKLDEVCK-LBPRGKRZSA-N 0 3 234.303 0.694 20 0 BCADHN O=C1NC[C@@H]2CN(CCc3ccccn3)CC[C@@H]12 ZINC000368691521 387004993 /nfs/dbraw/zinc/00/49/93/387004993.db2.gz FTBCRVRHGKLNNZ-DGCLKSJQSA-N 0 3 245.326 0.692 20 0 BCADHN CC1(C)SC[C@H]1NC(=O)N1CCCNCC1 ZINC000334930127 387005114 /nfs/dbraw/zinc/00/51/14/387005114.db2.gz OVVRVPSGPQYBNC-SECBINFHSA-N 0 3 243.376 0.885 20 0 BCADHN CC(C)(N)C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000161940127 387005794 /nfs/dbraw/zinc/00/57/94/387005794.db2.gz WGMXZKQHQWJFMS-CABZTGNLSA-N 0 3 228.336 0.781 20 0 BCADHN CC(C)(N)C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000161940429 387006236 /nfs/dbraw/zinc/00/62/36/387006236.db2.gz WGMXZKQHQWJFMS-SKDRFNHKSA-N 0 3 228.336 0.781 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)NCCN(C)C1CC1 ZINC000341648611 386948520 /nfs/dbraw/zinc/94/85/20/386948520.db2.gz TUAZXMIRJITJHJ-VHSXEESVSA-N 0 3 243.351 0.803 20 0 BCADHN CCOC[C@H](C)NC(=O)N1CCCNCC1 ZINC000332044892 386948611 /nfs/dbraw/zinc/94/86/11/386948611.db2.gz UXHHCMMIGXIBFX-JTQLQIEISA-N 0 3 229.324 0.416 20 0 BCADHN CO[C@@H]1[C@H](C)[C@H](NC(=O)C(C)(C)N)C1(C)C ZINC000332055404 386949369 /nfs/dbraw/zinc/94/93/69/386949369.db2.gz OKGZATMMXZRMPO-HRDYMLBCSA-N 0 3 228.336 0.899 20 0 BCADHN O=C1NC[C@@H]2CN(Cc3cc[nH]c3)CC[C@@H]12 ZINC000368217517 386950128 /nfs/dbraw/zinc/95/01/28/386950128.db2.gz YOTITLBVPHXRKK-GHMZBOCLSA-N 0 3 219.288 0.583 20 0 BCADHN Cc1ccncc1CN(C[C@H](C)O)[C@H](C)CO ZINC000331052899 386950486 /nfs/dbraw/zinc/95/04/86/386950486.db2.gz JDQZKAOTMFQJAO-NEPJUHHUSA-N 0 3 238.331 0.954 20 0 BCADHN CCN1CCC(S(=O)(=O)NC)CC1 ZINC000334953442 387030134 /nfs/dbraw/zinc/03/01/34/387030134.db2.gz URKKQYNQTQCTCE-UHFFFAOYSA-N 0 3 206.311 0.020 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@@H](C)C(=O)NCCF ZINC000425380420 387031374 /nfs/dbraw/zinc/03/13/74/387031374.db2.gz LRYVYBLQJBDNMZ-XHNCKOQMSA-N 0 3 234.340 0.944 20 0 BCADHN C[C@@H](O)CN1CCCC[C@H]1C(=O)N1CCCC1 ZINC000369186374 387031353 /nfs/dbraw/zinc/03/13/53/387031353.db2.gz CMOUKVMASMXFJT-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN CC1(C)C[C@H](N[C@H]2CC(=O)N(C3CC3)C2)CO1 ZINC000334956246 387034136 /nfs/dbraw/zinc/03/41/36/387034136.db2.gz UWWURNXQZAOFKZ-UWVGGRQHSA-N 0 3 238.331 0.907 20 0 BCADHN CCc1nc([C@@H]2CCCCN2C(=O)CN)no1 ZINC000648026022 387034339 /nfs/dbraw/zinc/03/43/39/387034339.db2.gz MGXKXEOHDWWSEV-QMMMGPOBSA-N 0 3 238.291 0.644 20 0 BCADHN CO[C@H](CN1CCc2n[nH]c(=O)cc2C1)C1CC1 ZINC000333417990 387034452 /nfs/dbraw/zinc/03/44/52/387034452.db2.gz RDJYELSFYRMGTH-GFCCVEGCSA-N 0 3 249.314 0.965 20 0 BCADHN Cc1ncc(NC(=O)[C@@H](N)C2CCC2)cn1 ZINC000398992169 387034700 /nfs/dbraw/zinc/03/47/00/387034700.db2.gz LYGGOZIWYDGFHP-JTQLQIEISA-N 0 3 220.276 0.851 20 0 BCADHN CC(C)[C@H](O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000353061134 387035256 /nfs/dbraw/zinc/03/52/56/387035256.db2.gz FDZBPBWOTTZUCD-RYUDHWBXSA-N 0 3 242.363 0.804 20 0 BCADHN CCOCCNC(=O)[C@@H](N)CCSC ZINC000040461811 387038030 /nfs/dbraw/zinc/03/80/30/387038030.db2.gz YEWXROVJSLJNQA-QMMMGPOBSA-N 0 3 220.338 0.220 20 0 BCADHN CCOCCNC(=O)[C@@H](N)C(C)(C)C ZINC000040461813 387038476 /nfs/dbraw/zinc/03/84/76/387038476.db2.gz BXSSPHAUJCQZCO-MRVPVSSYSA-N 0 3 202.298 0.513 20 0 BCADHN CN(CCC1CC1)C(=O)NC[C@H]1CNCCO1 ZINC000333503275 387038830 /nfs/dbraw/zinc/03/88/30/387038830.db2.gz HZVZAWVTUNOKKR-LLVKDONJSA-N 0 3 241.335 0.416 20 0 BCADHN C/C=C\C[C@@H](CO)NCc1cncn1C ZINC000336764072 387041418 /nfs/dbraw/zinc/04/14/18/387041418.db2.gz PWDJLMIJPASDJM-XOULXFPDSA-N 0 3 209.293 0.837 20 0 BCADHN CC[C@H](N)C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000334962274 387043465 /nfs/dbraw/zinc/04/34/65/387043465.db2.gz URYYUBQEKQYESQ-QWHCGFSZSA-N 0 3 247.342 0.897 20 0 BCADHN CCCCCN1CCCN(S(N)(=O)=O)CC1 ZINC000369403250 387044713 /nfs/dbraw/zinc/04/47/13/387044713.db2.gz KMKMKVALDYPRRF-UHFFFAOYSA-N 0 3 249.380 0.388 20 0 BCADHN CC(C)[C@H]1CCN1C(=O)NC[C@@H]1CNCCO1 ZINC000333607868 387045728 /nfs/dbraw/zinc/04/57/28/387045728.db2.gz XPFFGMKYSAJQDW-WDEREUQCSA-N 0 3 241.335 0.415 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](O)C(C)(C)C)N(C)C ZINC000305116701 387047536 /nfs/dbraw/zinc/04/75/36/387047536.db2.gz ADHCDZAEDQNKDD-VHSXEESVSA-N 0 3 230.352 0.850 20 0 BCADHN CC1(C)C[C@@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000333650125 387047975 /nfs/dbraw/zinc/04/79/75/387047975.db2.gz VPYPEDJYMKVMOQ-ZJUUUORDSA-N 0 3 241.335 0.320 20 0 BCADHN CC[C@@H](C(N)=O)N1CCCN(CC(C)C)CC1 ZINC000369511860 387051148 /nfs/dbraw/zinc/05/11/48/387051148.db2.gz PJVASUALAMUHEJ-LBPRGKRZSA-N 0 3 241.379 0.914 20 0 BCADHN CC[C@H](O)CCNC(=O)NCCN(C)C1CC1 ZINC000359074227 387052607 /nfs/dbraw/zinc/05/26/07/387052607.db2.gz WWZQEZAQBSNVMK-NSHDSACASA-N 0 3 243.351 0.541 20 0 BCADHN Cc1csc(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)c1 ZINC000334969384 387053066 /nfs/dbraw/zinc/05/30/66/387053066.db2.gz DGJCLQJXOAAPOR-QMMMGPOBSA-N 0 3 246.357 0.697 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@@H](N)C2CCC2)C1 ZINC000399079619 387054861 /nfs/dbraw/zinc/05/48/61/387054861.db2.gz RGBJSPIUJZSCNR-NEPJUHHUSA-N 0 3 239.363 0.714 20 0 BCADHN C=Cn1cc(CNC[C@@]2(O)CCO[C@H]2C)cn1 ZINC000227973373 387057881 /nfs/dbraw/zinc/05/78/81/387057881.db2.gz LXMPHNVNSJXKLU-JQWIXIFHSA-N 0 3 237.303 0.613 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCNC[C@](C)(F)C1 ZINC000334973380 387058880 /nfs/dbraw/zinc/05/88/80/387058880.db2.gz OEKWRXTWQJECDE-ONGXEEELSA-N 0 3 231.315 0.097 20 0 BCADHN CC(C)[C@@H](O)CNC(=O)NC[C@@H]1CCCN1C ZINC000334044191 387061052 /nfs/dbraw/zinc/06/10/52/387061052.db2.gz DAGMGKLMTALWHH-QWRGUYRKSA-N 0 3 243.351 0.397 20 0 BCADHN COC(=O)C1(CNCc2cnn(C)c2)CC1 ZINC000188670223 387063305 /nfs/dbraw/zinc/06/33/05/387063305.db2.gz QEHPHWAGGQKGDY-UHFFFAOYSA-N 0 3 223.276 0.463 20 0 BCADHN C[C@H](O)C(=O)N1CCCC12CCN(C)CC2 ZINC000334978549 387064881 /nfs/dbraw/zinc/06/48/81/387064881.db2.gz IUOASZKCYCCWQV-JTQLQIEISA-N 0 3 226.320 0.454 20 0 BCADHN CCC[C@@]1(CO)CCCN1CC(=O)NC(N)=O ZINC000331304787 387011485 /nfs/dbraw/zinc/01/14/85/387011485.db2.gz UQHQZNIQVMVFJA-NSHDSACASA-N 0 3 243.307 0.222 20 0 BCADHN O=C1NCC[C@H]1N1CC[C@]2(C1)CCCOC2 ZINC000341995257 387011911 /nfs/dbraw/zinc/01/19/11/387011911.db2.gz TYMPMNAHUIVDIS-PWSUYJOCSA-N 0 3 224.304 0.377 20 0 BCADHN CC[C@@]1(C)CN(CCC(=O)NC)CCO1 ZINC000442896800 387013923 /nfs/dbraw/zinc/01/39/23/387013923.db2.gz ZWIMTYGDIRUIRX-NSHDSACASA-N 0 3 214.309 0.623 20 0 BCADHN O=C(CN1CC[C@H](O)C12CCCC2)NC1CC1 ZINC000333043872 387014328 /nfs/dbraw/zinc/01/43/28/387014328.db2.gz OZLVUCQFVWXODU-NSHDSACASA-N 0 3 238.331 0.644 20 0 BCADHN CCC[C@H](NC(=O)CN(C)CCC)C(=O)OC ZINC000358796909 387016208 /nfs/dbraw/zinc/01/62/08/387016208.db2.gz UHHRRGCABKGXJW-JTQLQIEISA-N 0 3 244.335 0.786 20 0 BCADHN Cc1nc([C@H]2CCCCN2C(=O)[C@H](C)N)no1 ZINC000648021805 387017326 /nfs/dbraw/zinc/01/73/26/387017326.db2.gz LPJKGXGXPHMGKL-IONNQARKSA-N 0 3 238.291 0.779 20 0 BCADHN CC[C@H](O)CC(=O)NCCN1CCC[C@@H](C)C1 ZINC000331344429 387017447 /nfs/dbraw/zinc/01/74/47/387017447.db2.gz ZWFIUCGADLYAOV-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CC1(C)CN(CC(=O)NC(N)=O)[C@@H]2CCC[C@H]21 ZINC000334942561 387020294 /nfs/dbraw/zinc/02/02/94/387020294.db2.gz USSAKVHBUHUKKO-RKDXNWHRSA-N 0 3 239.319 0.692 20 0 BCADHN CS[C@@H]1CC[C@H]1N[C@@H]1CC(=O)N(C)C1 ZINC000425365181 387022364 /nfs/dbraw/zinc/02/23/64/387022364.db2.gz XXYCWFKFKQQADA-IWSPIJDZSA-N 0 3 214.334 0.701 20 0 BCADHN CS[C@@H]1CC[C@H]1N[C@H]1CC(=O)N(C)C1 ZINC000425365174 387023254 /nfs/dbraw/zinc/02/32/54/387023254.db2.gz XXYCWFKFKQQADA-DJLDLDEBSA-N 0 3 214.334 0.701 20 0 BCADHN CS[C@H]1CC[C@H]1N[C@H]1CCCNC1=O ZINC000425366641 387024326 /nfs/dbraw/zinc/02/43/26/387024326.db2.gz GDIVOGNUXFBGPW-VGMNWLOBSA-N 0 3 214.334 0.749 20 0 BCADHN C[C@@H]1CN(Cc2ccnn2C)[C@H](C)CN1C ZINC000334885122 387027677 /nfs/dbraw/zinc/02/76/77/387027677.db2.gz CPGHGIGPLVPEDR-GHMZBOCLSA-N 0 3 222.336 0.945 20 0 BCADHN CN(CC[C@H]1CCNC1=O)Cc1cnn(C)c1 ZINC000519176988 387028354 /nfs/dbraw/zinc/02/83/54/387028354.db2.gz PPVXBLBYQCNFHS-LLVKDONJSA-N 0 3 236.319 0.378 20 0 BCADHN CC1(C)CCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000334951685 387029118 /nfs/dbraw/zinc/02/91/18/387029118.db2.gz JIDZCTFZQHIGBI-SNVBAGLBSA-N 0 3 241.335 0.416 20 0 BCADHN CN(C)CCN(C)Cc1cnc(N(C)C)n1C ZINC000425378165 387029740 /nfs/dbraw/zinc/02/97/40/387029740.db2.gz IVWJXYAKCJNQOD-UHFFFAOYSA-N 0 3 239.367 0.480 20 0 BCADHN CS[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC000336237011 387072993 /nfs/dbraw/zinc/07/29/93/387072993.db2.gz DWYLTJVVEZWMTQ-SFYZADRCSA-N 0 3 200.307 0.312 20 0 BCADHN CCOC[C@H](C)NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418046193 387075607 /nfs/dbraw/zinc/07/56/07/387075607.db2.gz QBTBISSICOPNEH-DCAQKATOSA-N 0 3 243.351 0.803 20 0 BCADHN CC(C)N(C)C(=O)CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228105557 387076124 /nfs/dbraw/zinc/07/61/24/387076124.db2.gz HCDZSHJNTPVGFT-QJPTWQEYSA-N 0 3 240.347 0.556 20 0 BCADHN Cc1nnc(CN(C)CCN2CCCC2)o1 ZINC000118888163 387076656 /nfs/dbraw/zinc/07/66/56/387076656.db2.gz YVINWAWKNACTEG-UHFFFAOYSA-N 0 3 224.308 0.906 20 0 BCADHN CCCC[C@H](N)C(=O)N1CCN(C)C[C@@H]1C ZINC000228329745 387081267 /nfs/dbraw/zinc/08/12/67/387081267.db2.gz MIVYOKMNSPYMCG-QWRGUYRKSA-N 0 3 227.352 0.666 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1[C@@H](C)C1(F)F ZINC000359292254 387081944 /nfs/dbraw/zinc/08/19/44/387081944.db2.gz FPSOWZWCKHOVLR-HTQZYQBOSA-N 0 3 220.263 0.956 20 0 BCADHN CO[C@H](C(=O)NC1CCN(C)CC1)C(C)C ZINC000352330715 387084474 /nfs/dbraw/zinc/08/44/74/387084474.db2.gz HMJYBBRRCLWION-NSHDSACASA-N 0 3 228.336 0.868 20 0 BCADHN COC[C@H](CCO)NCc1cncn1C(C)C ZINC000228265636 387085364 /nfs/dbraw/zinc/08/53/64/387085364.db2.gz YOISLMLGZYZFNQ-NSHDSACASA-N 0 3 241.335 0.951 20 0 BCADHN CO[C@H](C(=O)NCCN1CCCC1)C(C)C ZINC000352331011 387085425 /nfs/dbraw/zinc/08/54/25/387085425.db2.gz LXCYZTDDSQCMDQ-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCCC[C@@H](CO)C1 ZINC000370070835 387085995 /nfs/dbraw/zinc/08/59/95/387085995.db2.gz PXNJEEGXAACKKI-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N1CC(C)(CO)C1 ZINC000334995269 387086127 /nfs/dbraw/zinc/08/61/27/387086127.db2.gz YYLBAORTAFNDIW-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)NC(=O)CN1CCNC[C@](C)(F)C1 ZINC000334997251 387087585 /nfs/dbraw/zinc/08/75/85/387087585.db2.gz CKRYLGWLMLCGIZ-NSHDSACASA-N 0 3 231.315 0.144 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCNC[C@](C)(F)C1 ZINC000334998750 387090206 /nfs/dbraw/zinc/09/02/06/387090206.db2.gz TUKWRTDLBRQLOD-CABZTGNLSA-N 0 3 243.326 0.287 20 0 BCADHN C[C@H](N[C@H]1CCCN(C)[C@H]1C)c1nncn1C ZINC000352340312 387093358 /nfs/dbraw/zinc/09/33/58/387093358.db2.gz MPDOLJHCXFNETA-DCAQKATOSA-N 0 3 237.351 0.948 20 0 BCADHN COC(=O)CN1CCCN(CCC(C)=O)CC1 ZINC000370227782 387096527 /nfs/dbraw/zinc/09/65/27/387096527.db2.gz NXILOUUDFBUNIK-UHFFFAOYSA-N 0 3 242.319 0.146 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](OC)C(C)C ZINC000336765955 387097518 /nfs/dbraw/zinc/09/75/18/387097518.db2.gz ROROVWVFUPAMHC-DTWKUNHWSA-N 0 3 202.298 0.511 20 0 BCADHN CC(C)N(C)CC(=O)N1CCOC[C@H]1C ZINC000067573037 387099070 /nfs/dbraw/zinc/09/90/70/387099070.db2.gz DNJGATNYRHXBDL-SNVBAGLBSA-N 0 3 214.309 0.574 20 0 BCADHN CCN(CC)CC(=O)NCc1ccnc(C)n1 ZINC000068115623 387101304 /nfs/dbraw/zinc/10/13/04/387101304.db2.gz VTRLEYAISRDTEJ-UHFFFAOYSA-N 0 3 236.319 0.743 20 0 BCADHN CC(C(=O)N[C@@H](C)CC1CC1)S(C)(=O)=O ZINC000112606606 387106372 /nfs/dbraw/zinc/10/63/72/387106372.db2.gz FSSLWVYUGDYBED-JGVFFNPUSA-N 0 3 233.333 0.724 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)[NH3+])o1 ZINC000335011205 387107660 /nfs/dbraw/zinc/10/76/60/387107660.db2.gz UWBUKVPDKLWANR-HTQZYQBOSA-N 0 3 232.305 0.602 20 0 BCADHN CCOC(=O)CCCCN1C[C@@H](O)C[C@H]1CO ZINC000186527772 387108311 /nfs/dbraw/zinc/10/83/11/387108311.db2.gz PJOSJGFOFUBRJM-QWRGUYRKSA-N 0 3 245.319 0.147 20 0 BCADHN CCN(C)C(=O)CN1[C@H](C)CC(O)C[C@H]1C ZINC000336278072 387109166 /nfs/dbraw/zinc/10/91/66/387109166.db2.gz KLNQKQDLQKWWAZ-NXEZZACHSA-N 0 3 228.336 0.698 20 0 BCADHN C[C@@H](NCCO)c1ccc2c(c1)NC(=O)CO2 ZINC000020596863 387109315 /nfs/dbraw/zinc/10/93/15/387109315.db2.gz AYIZBQJGGJGCHC-MRVPVSSYSA-N 0 3 236.271 0.660 20 0 BCADHN CCOC[C@@H](O)CNCc1ccc(C)nc1 ZINC000068952797 387109679 /nfs/dbraw/zinc/10/96/79/387109679.db2.gz QWENQKPYKVEMEF-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN CCOC[C@H](O)CNCc1ccc(C)nc1 ZINC000068952792 387110281 /nfs/dbraw/zinc/11/02/81/387110281.db2.gz QWENQKPYKVEMEF-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)NC1CCCC1 ZINC000228775622 387115042 /nfs/dbraw/zinc/11/50/42/387115042.db2.gz KZUFAOKHTZMBHY-LBPRGKRZSA-N 0 3 243.351 0.541 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H]1CCOC1 ZINC000359597417 387131985 /nfs/dbraw/zinc/13/19/85/387131985.db2.gz YPYKMHFUUBTLJJ-VIFPVBQESA-N 0 3 200.282 0.043 20 0 BCADHN CNCC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000335024603 387115632 /nfs/dbraw/zinc/11/56/32/387115632.db2.gz ASRWTBOBQORPPA-VHSXEESVSA-N 0 3 228.336 0.461 20 0 BCADHN COC[C@@H](O)CN[C@H](CO)c1cccc(F)c1 ZINC000359521557 387115631 /nfs/dbraw/zinc/11/56/31/387115631.db2.gz NROZZVSLILPDHG-NWDGAFQWSA-N 0 3 243.278 0.456 20 0 BCADHN C[C@H]1SCC[C@@H]1NC(=O)N1CCCNCC1 ZINC000646233400 387117529 /nfs/dbraw/zinc/11/75/29/387117529.db2.gz AWHUTRXFTSVAQP-ZJUUUORDSA-N 0 3 243.376 0.885 20 0 BCADHN CCC[C@H](C(=O)NC[C@H](C)O)N(C)C ZINC000127442286 387119317 /nfs/dbraw/zinc/11/93/17/387119317.db2.gz BMFRLBRHEXYRFI-DTWKUNHWSA-N 0 3 202.298 0.214 20 0 BCADHN CC[C@]1(C)CN(C(=O)[C@@H](N)C(C)C)CCO1 ZINC000336290125 387121162 /nfs/dbraw/zinc/12/11/62/387121162.db2.gz AORVAYNHLJXIFR-CMPLNLGQSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)[C@@H](C)CO ZINC000228722663 387121807 /nfs/dbraw/zinc/12/18/07/387121807.db2.gz WTJJNDKCRBUHBC-NAKRPEOUSA-N 0 3 230.352 0.896 20 0 BCADHN CN(C)CCN(C)C(=O)CN1CCCCC1=O ZINC000359599931 387132249 /nfs/dbraw/zinc/13/22/49/387132249.db2.gz UDEVCDXKVPMJMF-UHFFFAOYSA-N 0 3 241.335 0.019 20 0 BCADHN O=C(CN1CCC[C@@]2(CCOC2)C1)NC1CC1 ZINC000336294458 387124680 /nfs/dbraw/zinc/12/46/80/387124680.db2.gz HNQZPEOEXACKQG-CYBMUJFWSA-N 0 3 238.331 0.768 20 0 BCADHN CN(CCN1CCCCC1)[C@]1(CO)CCOC1 ZINC000359568987 387125153 /nfs/dbraw/zinc/12/51/53/387125153.db2.gz CZNSHRVDSZOVIV-ZDUSSCGKSA-N 0 3 242.363 0.556 20 0 BCADHN Cn1cncc1C(=O)N[C@@H]1CNCCC1(F)F ZINC000335030369 387125548 /nfs/dbraw/zinc/12/55/48/387125548.db2.gz CIMOMPKVLUWIRE-MRVPVSSYSA-N 0 3 244.245 0.147 20 0 BCADHN CON(C)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000228908780 387127444 /nfs/dbraw/zinc/12/74/44/387127444.db2.gz OHJQLSHYXXKBMS-HOTUBEGUSA-N 0 3 242.319 0.539 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)[C@@H]1CCOC1 ZINC000186757296 387132373 /nfs/dbraw/zinc/13/23/73/387132373.db2.gz GTJLMHRNJRMGIT-SNVBAGLBSA-N 0 3 226.320 0.576 20 0 BCADHN CCN(CC)C(=O)CN(C)CCN(C)C1CC1 ZINC000186756685 387132388 /nfs/dbraw/zinc/13/23/88/387132388.db2.gz GMLCFHXPQDSLTO-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CC(C(=O)N1CCC[C@@H]1CF)S(C)(=O)=O ZINC000359584741 387127814 /nfs/dbraw/zinc/12/78/14/387127814.db2.gz ITGCIXSAAVLJHY-HTQZYQBOSA-N 0 3 237.296 0.380 20 0 BCADHN CSCC(=O)N(C)CCN(C)C1CC1 ZINC000186736515 387128422 /nfs/dbraw/zinc/12/84/22/387128422.db2.gz OISGGGJBNQSFQO-UHFFFAOYSA-N 0 3 216.350 0.902 20 0 BCADHN CCOC(=O)[C@@H](C)N(C)CCN(C)C1CC1 ZINC000186739820 387129772 /nfs/dbraw/zinc/12/97/72/387129772.db2.gz YWRCVOKNMIZDIW-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN CCOC(=O)[C@H](C)N(C)CCN(C)C1CC1 ZINC000186739838 387129839 /nfs/dbraw/zinc/12/98/39/387129839.db2.gz YWRCVOKNMIZDIW-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN CC1(C)CN(CCO)C[C@]2(CCCOC2)O1 ZINC000369785980 387068618 /nfs/dbraw/zinc/06/86/18/387068618.db2.gz CMCNDSQFBWXOKL-LBPRGKRZSA-N 0 3 229.320 0.639 20 0 BCADHN CN(C)C(=O)CN(C)CCN(C)C1CC1 ZINC000186771829 387141692 /nfs/dbraw/zinc/14/16/92/387141692.db2.gz NDENJBUSGHISOX-UHFFFAOYSA-N 0 3 213.325 0.101 20 0 BCADHN C[C@]1(C(=O)NCCN2CCCC2)C[C@H]1F ZINC000424560170 387142253 /nfs/dbraw/zinc/14/22/53/387142253.db2.gz LSNBZWMWYDLHNV-KOLCDFICSA-N 0 3 214.284 0.947 20 0 BCADHN CC[C@](C)(OC)C(=O)N(C)CCN(C)C ZINC000359662667 387142547 /nfs/dbraw/zinc/14/25/47/387142547.db2.gz KFFNYZQSOXJNPA-NSHDSACASA-N 0 3 216.325 0.822 20 0 BCADHN CCO[C@@H]1C[C@H](NC(=O)[C@H](C)N)C12CCC2 ZINC000162015355 387144029 /nfs/dbraw/zinc/14/40/29/387144029.db2.gz NGLMBEOTYBMWPF-LPEHRKFASA-N 0 3 226.320 0.798 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CO[C@@H](C)C1 ZINC000352434182 387192416 /nfs/dbraw/zinc/19/24/16/387192416.db2.gz STFZZHWJPSEXIA-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN CC(C)[C@@](C)(O)CN1CCCN(C(N)=O)CC1 ZINC000186925613 387144679 /nfs/dbraw/zinc/14/46/79/387144679.db2.gz BUBLREBKDRSZNV-LBPRGKRZSA-N 0 3 243.351 0.480 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCCN1C(C)=O ZINC000120006998 387148345 /nfs/dbraw/zinc/14/83/45/387148345.db2.gz RFFGQELTFQRTCQ-NSHDSACASA-N 0 3 241.335 0.065 20 0 BCADHN CS(=O)(=O)NCCN1C[C@@H]2CCCCC[C@H]21 ZINC000371134805 387148507 /nfs/dbraw/zinc/14/85/07/387148507.db2.gz VJSCGFNQIBWVDO-WDEREUQCSA-N 0 3 246.376 0.800 20 0 BCADHN CC(C)CCOCCN(C)CCC(N)=O ZINC000353171430 387148568 /nfs/dbraw/zinc/14/85/68/387148568.db2.gz ILCRNNICQDKMBC-UHFFFAOYSA-N 0 3 216.325 0.856 20 0 BCADHN CC[C@@H](CNC(=O)CN(CC)CC)OC ZINC000359695878 387148805 /nfs/dbraw/zinc/14/88/05/387148805.db2.gz XCZKFOIWKCPMAY-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN CN(CCOCC(F)F)CCC(N)=O ZINC000353171647 387148869 /nfs/dbraw/zinc/14/88/69/387148869.db2.gz MEDPZJBAOOLJRJ-UHFFFAOYSA-N 0 3 210.224 0.075 20 0 BCADHN C[C@H](O)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC000571700029 387149023 /nfs/dbraw/zinc/14/90/23/387149023.db2.gz OBNSZVUBSOOVTP-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CC[C@@H](O)C2(C)C)C1 ZINC000571699427 387149412 /nfs/dbraw/zinc/14/94/12/387149412.db2.gz DLVNFMPCSFVTCM-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CSCCN1C(=O)C[C@H]1CNCCO1 ZINC000085620305 387149910 /nfs/dbraw/zinc/14/99/10/387149910.db2.gz MFOVGAQKPLSJRN-ZJUUUORDSA-N 0 3 244.360 0.329 20 0 BCADHN C[C@H]1CSCCN1C(=O)C[C@H]1CNCCO1 ZINC000085620308 387151041 /nfs/dbraw/zinc/15/10/41/387151041.db2.gz MFOVGAQKPLSJRN-UWVGGRQHSA-N 0 3 244.360 0.329 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCN2C(=O)NC[C@H]2C1 ZINC000336322180 387151017 /nfs/dbraw/zinc/15/10/17/387151017.db2.gz GFPVNQDXMCKRSU-VHSXEESVSA-N 0 3 241.335 0.103 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CO[C@H](C)C1 ZINC000352434184 387192742 /nfs/dbraw/zinc/19/27/42/387192742.db2.gz STFZZHWJPSEXIA-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN NC(C(=O)NC[C@H]1CCCOC1)C(F)(F)F ZINC000353192372 387152443 /nfs/dbraw/zinc/15/24/43/387152443.db2.gz YFJOGNOJOWXHES-RNFRBKRXSA-N 0 3 240.225 0.419 20 0 BCADHN CN(C)C(=O)C1(NC[C@@H]2CCCC[C@H]2O)CC1 ZINC000514674969 387152744 /nfs/dbraw/zinc/15/27/44/387152744.db2.gz AWYFKTWPMGKBIZ-WDEREUQCSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)COCCN(C)CCC(N)=O ZINC000353199475 387155705 /nfs/dbraw/zinc/15/57/05/387155705.db2.gz GAYYEZFEZSZPJM-UHFFFAOYSA-N 0 3 202.298 0.466 20 0 BCADHN CO[C@@H](C)CN(C)CCN1CCOC[C@H]1C ZINC000353219097 387158339 /nfs/dbraw/zinc/15/83/39/387158339.db2.gz LYBFKSHJEHIOTK-NEPJUHHUSA-N 0 3 230.352 0.674 20 0 BCADHN c1c(CNCC2CC2)nnn1C[C@H]1CCOC1 ZINC000164897584 387158564 /nfs/dbraw/zinc/15/85/64/387158564.db2.gz WNLROOQFNOQVCS-LLVKDONJSA-N 0 3 236.319 0.814 20 0 BCADHN CC(C)(C)OCCN1CC[C@H](CO)[C@H](O)C1 ZINC000571738394 387159968 /nfs/dbraw/zinc/15/99/68/387159968.db2.gz IEBBTVRZFHIFHH-GHMZBOCLSA-N 0 3 231.336 0.477 20 0 BCADHN COCCCCNC(=O)C[C@@H]1CSCCN1 ZINC000085614005 387162426 /nfs/dbraw/zinc/16/24/26/387162426.db2.gz GXTPUGWINXIELQ-SNVBAGLBSA-N 0 3 246.376 0.624 20 0 BCADHN O=C1[N-]C(=O)C2(CC[NH+](CCC3CC3)CC2)N1 ZINC000336338958 387163709 /nfs/dbraw/zinc/16/37/09/387163709.db2.gz GZNWCOKRGGHZAJ-UHFFFAOYSA-N 0 3 237.303 0.461 20 0 BCADHN CC[C@@H]1CCCN1C(=O)C[C@H]1CNCCO1 ZINC000085619582 387164040 /nfs/dbraw/zinc/16/40/40/387164040.db2.gz CKGKZHKIFXZDRH-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CCN(CCCCOC)[C@@H]1CCNC1=O ZINC000352405130 387164820 /nfs/dbraw/zinc/16/48/20/387164820.db2.gz GPHVAMYZXLMYAS-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CCN(CC[C@@H](C)F)[C@H]1CCNC1=O ZINC000352405138 387166457 /nfs/dbraw/zinc/16/64/57/387166457.db2.gz GRJFYOAQTYGFJO-BDAKNGLRSA-N 0 3 202.273 0.945 20 0 BCADHN Cn1ccc(CNCCc2cn[nH]c2)n1 ZINC000290024809 387169068 /nfs/dbraw/zinc/16/90/68/387169068.db2.gz ZYDSMNXEOQNIFE-UHFFFAOYSA-N 0 3 205.265 0.476 20 0 BCADHN Cc1cc(CNCCC(N)=O)cc(C)n1 ZINC000571790390 387171212 /nfs/dbraw/zinc/17/12/12/387171212.db2.gz LQCSDSDOUKXCRX-UHFFFAOYSA-N 0 3 207.277 0.663 20 0 BCADHN CO[C@@H]1CCC[C@@H]1CNC(=O)[C@@H](N)C(C)C ZINC000353317848 387178815 /nfs/dbraw/zinc/17/88/15/387178815.db2.gz XHDXXXCZCFVWQE-MXWKQRLJSA-N 0 3 228.336 0.901 20 0 BCADHN CC(C)[C@](C)(O)C(=O)NC[C@H]1CCCN1C ZINC000353311252 387179169 /nfs/dbraw/zinc/17/91/69/387179169.db2.gz HGCPZKHCNRUUMI-PWSUYJOCSA-N 0 3 228.336 0.604 20 0 BCADHN CCN(CC(=O)NC(=O)NC1CC1)CC(C)C ZINC000120106181 387185230 /nfs/dbraw/zinc/18/52/30/387185230.db2.gz JHOAMVANZYLQCS-UHFFFAOYSA-N 0 3 241.335 0.953 20 0 BCADHN Cn1ncc(Cl)c1CNCCCCO ZINC000193254977 387186463 /nfs/dbraw/zinc/18/64/63/387186463.db2.gz OWTMXQXAHADQDH-UHFFFAOYSA-N 0 3 217.700 0.936 20 0 BCADHN Cn1nccc1CN[C@H](CO)C1CCOCC1 ZINC000359904567 387188891 /nfs/dbraw/zinc/18/88/91/387188891.db2.gz HQQJWXYRMLGSMC-GFCCVEGCSA-N 0 3 239.319 0.297 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCOC2)n1 ZINC000229637741 387189312 /nfs/dbraw/zinc/18/93/12/387189312.db2.gz CRXCUHIXDUTRDX-LBPRGKRZSA-N 0 3 238.287 0.337 20 0 BCADHN C[C@H](O)CNCC(=O)N1CCc2ccccc21 ZINC000571909133 387190178 /nfs/dbraw/zinc/19/01/78/387190178.db2.gz ZRHYIFIKWQHJRE-JTQLQIEISA-N 0 3 234.299 0.546 20 0 BCADHN COC(=O)CCCN(C)C1(C(N)=O)CCCC1 ZINC000120167959 387191215 /nfs/dbraw/zinc/19/12/15/387191215.db2.gz PVEGFVMSKMGQIJ-UHFFFAOYSA-N 0 3 242.319 0.670 20 0 BCADHN CO[C@H](C)C(=O)N(C)CCN(C)C1CC1 ZINC000186744071 387132644 /nfs/dbraw/zinc/13/26/44/387132644.db2.gz PLRCGWWWXHYPDD-SECBINFHSA-N 0 3 214.309 0.574 20 0 BCADHN CO[C@@H]1CC[C@H](N[C@H](C)CS(C)(=O)=O)C1 ZINC000249046799 387132670 /nfs/dbraw/zinc/13/26/70/387132670.db2.gz NRWPLCQSMLEVOH-KXUCPTDWSA-N 0 3 235.349 0.577 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000119391910 387133179 /nfs/dbraw/zinc/13/31/79/387133179.db2.gz BDWVSKRVMNHUAM-BDAKNGLRSA-N 0 3 230.308 0.428 20 0 BCADHN CC[C@H](OC)C(=O)N(C)CCN(C)C ZINC000359601520 387133254 /nfs/dbraw/zinc/13/32/54/387133254.db2.gz VTIJFCCFYQCHRF-VIFPVBQESA-N 0 3 202.298 0.431 20 0 BCADHN CC[C@H](C)NC(=O)CN(C)CCN(C)C1CC1 ZINC000186788192 387133928 /nfs/dbraw/zinc/13/39/28/387133928.db2.gz HKCZYHINMQTVCK-NSHDSACASA-N 0 3 241.379 0.927 20 0 BCADHN CO[C@@H](C)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000336303305 387134522 /nfs/dbraw/zinc/13/45/22/387134522.db2.gz FWXOHTDJPAFDHE-QWRGUYRKSA-N 0 3 240.347 0.964 20 0 BCADHN COCc1noc([C@H]2CN(C)C[C@H]2C)n1 ZINC000359921726 387192069 /nfs/dbraw/zinc/19/20/69/387192069.db2.gz DLUDGBXCRATFOW-SFYZADRCSA-N 0 3 211.265 0.881 20 0 BCADHN CCN(CCOC)CCOCCOC ZINC000352435650 387192184 /nfs/dbraw/zinc/19/21/84/387192184.db2.gz RKJDCZJCQMEXNQ-UHFFFAOYSA-N 0 3 205.298 0.618 20 0 BCADHN CCN(C[C@H](C)O)C(=O)NCCN(C)C1CC1 ZINC000353110489 387139606 /nfs/dbraw/zinc/13/96/06/387139606.db2.gz IXEXTDYUSPUPJG-JTQLQIEISA-N 0 3 243.351 0.493 20 0 BCADHN Cc1nc(CN(C)CCN(C)C2CC2)no1 ZINC000186775647 387140605 /nfs/dbraw/zinc/14/06/05/387140605.db2.gz ZDMLPDXVGPVYJD-UHFFFAOYSA-N 0 3 224.308 0.904 20 0 BCADHN C[C@@H]1C[C@H](NCC(F)(F)CN)CN1C1CC1 ZINC000423350582 387203602 /nfs/dbraw/zinc/20/36/02/387203602.db2.gz ZTYGATIIRQFUHB-BDAKNGLRSA-N 0 3 233.306 0.795 20 0 BCADHN CO[C@](C)(C(=O)NC[C@H](C)N(C)C)C1CC1 ZINC000359980925 387205054 /nfs/dbraw/zinc/20/50/54/387205054.db2.gz IPDGSEUAMHIHJL-CABZTGNLSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2[C@H](C)COC[C@H]2C)C1 ZINC000571941092 387206710 /nfs/dbraw/zinc/20/67/10/387206710.db2.gz YKDKEYGVCSGMCI-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C)CCN(C)c1ccnc(N(C)C)n1 ZINC000353469406 387209755 /nfs/dbraw/zinc/20/97/55/387209755.db2.gz BPJPACUSCSJYHP-UHFFFAOYSA-N 0 3 223.324 0.540 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCCCC(=O)OC ZINC000353471373 387210721 /nfs/dbraw/zinc/21/07/21/387210721.db2.gz MESHABUAEFNRCW-GFCCVEGCSA-N 0 3 244.335 0.963 20 0 BCADHN CN(C)[C@H]1CCCN([C@@H]2CCCCNC2=O)C1 ZINC000120215214 387212030 /nfs/dbraw/zinc/21/20/30/387212030.db2.gz XEDZNCALXIBXPK-NWDGAFQWSA-N 0 3 239.363 0.681 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CN(C2CC2)C[C@@H]1C ZINC000360009860 387213043 /nfs/dbraw/zinc/21/30/43/387213043.db2.gz BLKNLCXADSSCMI-JQWIXIFHSA-N 0 3 239.363 0.537 20 0 BCADHN CN1CC[C@H](CSc2nnnn2C)C1 ZINC000187657355 387213368 /nfs/dbraw/zinc/21/33/68/387213368.db2.gz NXNRWPZVMWMMOJ-ZETCQYMHSA-N 0 3 213.310 0.254 20 0 BCADHN C[C@@H](C(=O)N1C[C@@H](C)NC[C@H]1C)n1cccn1 ZINC000251794797 387214220 /nfs/dbraw/zinc/21/42/20/387214220.db2.gz NPNVZLOSJFXGKQ-MXWKQRLJSA-N 0 3 236.319 0.653 20 0 BCADHN CCN(CC(=O)N1CCN(C)CC1)CC(C)C ZINC000093158939 387217225 /nfs/dbraw/zinc/21/72/25/387217225.db2.gz DMWNCBASRYYQAQ-UHFFFAOYSA-N 0 3 241.379 0.738 20 0 BCADHN CC[C@@H](C(N)=O)N(C)CC1(O)CCC1 ZINC000353508545 387217478 /nfs/dbraw/zinc/21/74/78/387217478.db2.gz GNCHLTOJGDDEOF-QMMMGPOBSA-N 0 3 200.282 0.097 20 0 BCADHN N[C@H](CC(F)F)C(=O)Nc1cc[nH]n1 ZINC000306500098 387219391 /nfs/dbraw/zinc/21/93/91/387219391.db2.gz MEKFZVOWJIAOFM-SCSAIBSYSA-N 0 3 204.180 0.331 20 0 BCADHN C[C@@H](C(=O)N(C)C)N(C)CC1(O)CCC1 ZINC000353520721 387220318 /nfs/dbraw/zinc/22/03/18/387220318.db2.gz OOGCFSHGNMAIGC-VIFPVBQESA-N 0 3 214.309 0.310 20 0 BCADHN C[C@@H](NC[C@](C)(O)C1CC1)c1ccc(=O)[nH]n1 ZINC000353515770 387221565 /nfs/dbraw/zinc/22/15/65/387221565.db2.gz FGWLYFJGPUZWJQ-PELKAZGASA-N 0 3 237.303 0.994 20 0 BCADHN CC[C@H](COC)NC(=O)N[C@H](C)CN(C)C ZINC000353532265 387222739 /nfs/dbraw/zinc/22/27/39/387222739.db2.gz CSSCYZWWBQCLDK-NXEZZACHSA-N 0 3 231.340 0.661 20 0 BCADHN COC[C@@H](O)CN1CCOCC2(CC2)C1 ZINC000360088512 387224261 /nfs/dbraw/zinc/22/42/61/387224261.db2.gz LVBZSZHSQQEVEG-JTQLQIEISA-N 0 3 215.293 0.106 20 0 BCADHN COC[C@H](O)CN1CCOCC2(CC2)C1 ZINC000360088514 387224659 /nfs/dbraw/zinc/22/46/59/387224659.db2.gz LVBZSZHSQQEVEG-SNVBAGLBSA-N 0 3 215.293 0.106 20 0 BCADHN COC[C@H](C)CNC(=O)N[C@@H](C)CN(C)C ZINC000353542703 387225741 /nfs/dbraw/zinc/22/57/41/387225741.db2.gz NEXUWZYJFNLXRA-ZJUUUORDSA-N 0 3 231.340 0.518 20 0 BCADHN CN(C)CCN(C)C(=O)NC[C@@H]1CCCO1 ZINC000352462437 387226741 /nfs/dbraw/zinc/22/67/41/387226741.db2.gz UOGOYGRDMHJROJ-JTQLQIEISA-N 0 3 229.324 0.368 20 0 BCADHN Cc1cn[nH]c1CN1CC[C@H](O)[C@@H](C)C1 ZINC000336400757 387229927 /nfs/dbraw/zinc/22/99/27/387229927.db2.gz CQJWZKNNKVWKCK-ONGXEEELSA-N 0 3 209.293 0.921 20 0 BCADHN CCCCNC(=O)[C@H](C)N(CCO)CC1CC1 ZINC000352468230 387230190 /nfs/dbraw/zinc/23/01/90/387230190.db2.gz PSYQCABZDVPIBW-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CN(C)CCN(C)C(=O)[C@]1(C)C[C@H]1F ZINC000424700990 387253464 /nfs/dbraw/zinc/25/34/64/387253464.db2.gz GBSSHCNKTZPAGL-PSASIEDQSA-N 0 3 202.273 0.755 20 0 BCADHN COCCN(C)CCNC(=O)[C@@]1(C)C[C@H]1F ZINC000424650798 387235350 /nfs/dbraw/zinc/23/53/50/387235350.db2.gz USFDPYZANJKTIR-KOLCDFICSA-N 0 3 232.299 0.429 20 0 BCADHN CC[C@@H](Cn1cncn1)NCC(=O)N(C)CC ZINC000353582348 387235937 /nfs/dbraw/zinc/23/59/37/387235937.db2.gz RDYNTROMWCPDCI-JTQLQIEISA-N 0 3 239.323 0.125 20 0 BCADHN COC[C@@H]1CN(C(=O)C2(N)CCC2)C[C@@H](C)O1 ZINC000572117931 387238085 /nfs/dbraw/zinc/23/80/85/387238085.db2.gz OAIIQEFHMKDUNL-ZJUUUORDSA-N 0 3 242.319 0.130 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1cn[nH]c1 ZINC000063054817 387238509 /nfs/dbraw/zinc/23/85/09/387238509.db2.gz SESGOJBCVPZLST-UHFFFAOYSA-N 0 3 222.292 0.578 20 0 BCADHN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1cscn1 ZINC000572120038 387239386 /nfs/dbraw/zinc/23/93/86/387239386.db2.gz FVKVNCPIVHQUBS-NKWVEPMBSA-N 0 3 249.361 0.547 20 0 BCADHN CCCOCC(=O)NCCOCCN(C)C ZINC000230183428 387241750 /nfs/dbraw/zinc/24/17/50/387241750.db2.gz JUTGAQQACPPJFI-UHFFFAOYSA-N 0 3 232.324 0.107 20 0 BCADHN CS(=O)(=O)C1(CNCC2(O)CCC2)CCC1 ZINC000572149583 387243494 /nfs/dbraw/zinc/24/34/94/387243494.db2.gz KNLWHBRKKUTDKW-UHFFFAOYSA-N 0 3 247.360 0.458 20 0 BCADHN CN1CCC(NC(=O)Nc2cccnn2)CC1 ZINC000120403869 387243554 /nfs/dbraw/zinc/24/35/54/387243554.db2.gz FNVQSFGEYXOUAH-UHFFFAOYSA-N 0 3 235.291 0.692 20 0 BCADHN C[C@@H](NCc1cnnn1C)C(C)(C)n1cncn1 ZINC000353639416 387245525 /nfs/dbraw/zinc/24/55/25/387245525.db2.gz SSXFSDCSXGEGLG-SECBINFHSA-N 0 3 249.322 0.320 20 0 BCADHN COCCC(=O)N(C)CC1(N(C)C)CCC1 ZINC000188031541 387246071 /nfs/dbraw/zinc/24/60/71/387246071.db2.gz DFQDTEQOEOOMRP-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1cn[nH]c1 ZINC000285165900 387246371 /nfs/dbraw/zinc/24/63/71/387246371.db2.gz MTCDSBQRCXYMLT-NRPADANISA-N 0 3 222.292 0.727 20 0 BCADHN CN(CCn1cccn1)C(=O)[C@H](N)C1CCC1 ZINC000423411270 387246537 /nfs/dbraw/zinc/24/65/37/387246537.db2.gz UGSQGBULTJLHSX-LLVKDONJSA-N 0 3 236.319 0.469 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000353644493 387249272 /nfs/dbraw/zinc/24/92/72/387249272.db2.gz QAJQYUGALGAFIU-ZJUUUORDSA-N 0 3 241.335 0.239 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)CCN(C)C ZINC000353658938 387250103 /nfs/dbraw/zinc/25/01/03/387250103.db2.gz XWMGSHVHZAUMLU-VHSXEESVSA-N 0 3 242.319 0.206 20 0 BCADHN CN1CCC(NC(=O)NCC(F)F)CC1 ZINC000336361850 387195001 /nfs/dbraw/zinc/19/50/01/387195001.db2.gz KNXGRFCABPEGDK-UHFFFAOYSA-N 0 3 221.251 0.645 20 0 BCADHN CCN1C[C@H](NCC(F)(F)CN)[C@@H](C)C1 ZINC000423347351 387197928 /nfs/dbraw/zinc/19/79/28/387197928.db2.gz QFIBEFHFYGRGMI-IUCAKERBSA-N 0 3 221.295 0.510 20 0 BCADHN CSCC[C@@H](N)C(=O)N1CCCO[C@H](C)C1 ZINC000077585489 387199552 /nfs/dbraw/zinc/19/95/52/387199552.db2.gz ZITOWVPRKQWEGA-NXEZZACHSA-N 0 3 246.376 0.704 20 0 BCADHN COC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000514949381 387311815 /nfs/dbraw/zinc/31/18/15/387311815.db2.gz KLHGHWVIKIKJSY-SECBINFHSA-N 0 3 212.293 0.185 20 0 BCADHN C[C@@H](C[S@](C)=O)NC(=O)CCCCN(C)C ZINC000514970240 387315703 /nfs/dbraw/zinc/31/57/03/387315703.db2.gz TYARRGMAWAAIGH-QFYYESIMSA-N 0 3 248.392 0.602 20 0 BCADHN CO[C@@H](C)C(=O)NC1CCN(C)CC1 ZINC000120574946 387255239 /nfs/dbraw/zinc/25/52/39/387255239.db2.gz PBEYUEDHSYRUMD-QMMMGPOBSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@H](N)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000353669031 387255652 /nfs/dbraw/zinc/25/56/52/387255652.db2.gz RLAUWXRGMZZTDU-QMMMGPOBSA-N 0 3 222.292 0.463 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CCc2cncnc2C1 ZINC000353670124 387256051 /nfs/dbraw/zinc/25/60/51/387256051.db2.gz YPGMPCOLOJOFIB-LLVKDONJSA-N 0 3 248.330 0.879 20 0 BCADHN C[C@@H]1[C@@H](CO)CCN1Cc1ccnn1C ZINC000336429715 387256582 /nfs/dbraw/zinc/25/65/82/387256582.db2.gz YWWRVPKAVGSVKJ-NXEZZACHSA-N 0 3 209.293 0.623 20 0 BCADHN Cc1ncc(CN[C@]2(C)CCOC2)n1C ZINC000572180072 387256888 /nfs/dbraw/zinc/25/68/88/387256888.db2.gz MVEOXZBPBGXSBJ-LLVKDONJSA-N 0 3 209.293 0.997 20 0 BCADHN C[C@H](CC(=O)N(C)CCN(C)C)n1cccn1 ZINC000424719680 387258219 /nfs/dbraw/zinc/25/82/19/387258219.db2.gz YPXCVILGPBUPGH-LLVKDONJSA-N 0 3 238.335 0.854 20 0 BCADHN Cn1nncc1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000230316163 387260441 /nfs/dbraw/zinc/26/04/41/387260441.db2.gz KJUDQOJVNTVSSY-WDEREUQCSA-N 0 3 222.292 0.472 20 0 BCADHN CCCCN1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120696138 387261494 /nfs/dbraw/zinc/26/14/94/387261494.db2.gz HBLVIDSFRDSCTK-NSHDSACASA-N 0 3 246.376 0.943 20 0 BCADHN CC(C)N(C)CC(=O)N1CCOCC1(C)C ZINC000336435633 387261545 /nfs/dbraw/zinc/26/15/45/387261545.db2.gz YVAVJMDNUACYJE-UHFFFAOYSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H](O)CCNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000114829669 387261895 /nfs/dbraw/zinc/26/18/95/387261895.db2.gz FGCQBDSXOQKIOC-NXEZZACHSA-N 0 3 243.351 0.539 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H](C)COCCOC ZINC000353719044 387262652 /nfs/dbraw/zinc/26/26/52/387262652.db2.gz AHLNHDKRLZZFMN-JQWIXIFHSA-N 0 3 246.351 0.672 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@H]1CC[C@H](CO)O1 ZINC000353710935 387262821 /nfs/dbraw/zinc/26/28/21/387262821.db2.gz ULRMLARIHRLNPC-GHMZBOCLSA-N 0 3 239.319 0.656 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCCN(C)CC1 ZINC000336436853 387263688 /nfs/dbraw/zinc/26/36/88/387263688.db2.gz NAJXSLVHDOZRLU-JTQLQIEISA-N 0 3 225.336 0.291 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1noc(C2CC2)n1 ZINC000353730096 387265001 /nfs/dbraw/zinc/26/50/01/387265001.db2.gz PGVVJVKOURCIRZ-SECBINFHSA-N 0 3 238.291 0.547 20 0 BCADHN COC[C@H](C)[C@@H](C)C(=O)N(C)CCN(C)C ZINC000360335964 387265378 /nfs/dbraw/zinc/26/53/78/387265378.db2.gz RQKROXNIJLHMRP-WDEREUQCSA-N 0 3 230.352 0.925 20 0 BCADHN C[NH+]1CCC(C(=O)NCc2ncccc2[O-])CC1 ZINC000352499875 387266259 /nfs/dbraw/zinc/26/62/59/387266259.db2.gz IIBKGZRLXAXLER-UHFFFAOYSA-N 0 3 249.314 0.745 20 0 BCADHN CC[C@H](N)C(=O)N1CCCOC(C)(C)C1 ZINC000372043895 387266759 /nfs/dbraw/zinc/26/67/59/387266759.db2.gz ZWTFMTXEDIXTCB-VIFPVBQESA-N 0 3 214.309 0.751 20 0 BCADHN Cc1noc(C)c1[C@@H](C)CNC(=O)[C@H](C)N ZINC000353737618 387267247 /nfs/dbraw/zinc/26/72/47/387267247.db2.gz IVOYGUUDLOFYIR-BQBZGAKWSA-N 0 3 225.292 0.858 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CO[C@H](C)C1)N(C)C ZINC000352507618 387268911 /nfs/dbraw/zinc/26/89/11/387268911.db2.gz KSJGIVWEQQZXQM-IVZWLZJFSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@H](NC(=O)C1(N)CC1)[C@H](O)Cc1ccccc1 ZINC000353764190 387269157 /nfs/dbraw/zinc/26/91/57/387269157.db2.gz DPQSVTKXBOFTPW-CMPLNLGQSA-N 0 3 248.326 0.586 20 0 BCADHN CSC1(C(=O)NC[C@H](C)N(C)C)CC1 ZINC000352506014 387269155 /nfs/dbraw/zinc/26/91/55/387269155.db2.gz CLUTZQALIMZZDL-QMMMGPOBSA-N 0 3 216.350 0.948 20 0 BCADHN Cc1cnn(C)c1CNCCc1cnn(C)c1 ZINC000285497902 387269318 /nfs/dbraw/zinc/26/93/18/387269318.db2.gz PXEQZMFLZUDALR-UHFFFAOYSA-N 0 3 233.319 0.794 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000353750502 387269832 /nfs/dbraw/zinc/26/98/32/387269832.db2.gz AKOWNSAJAKHYRR-WPRPVWTQSA-N 0 3 247.298 0.576 20 0 BCADHN Cc1nc(CCNC(=O)[C@H](N)C(C)C)c(C)o1 ZINC000353772405 387272027 /nfs/dbraw/zinc/27/20/27/387272027.db2.gz YSABASNYRQAPQS-LLVKDONJSA-N 0 3 239.319 0.933 20 0 BCADHN CC(C)[C@H](O)C(C)(C)CNC(=O)C1(N)CC1 ZINC000353769398 387272636 /nfs/dbraw/zinc/27/26/36/387272636.db2.gz QWCQQAJYUOSYIT-VIFPVBQESA-N 0 3 228.336 0.637 20 0 BCADHN COC[C@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000372116581 387273679 /nfs/dbraw/zinc/27/36/79/387273679.db2.gz PPFZUMHSLNUVMK-CMPLNLGQSA-N 0 3 244.310 0.573 20 0 BCADHN CN(C)CCNC(=O)c1cnc2n1CCCC2 ZINC000372145256 387277661 /nfs/dbraw/zinc/27/76/61/387277661.db2.gz YIRXQBLAHQZAKX-UHFFFAOYSA-N 0 3 236.319 0.511 20 0 BCADHN CCC[C@H](O)[C@H](CO)NCC1(F)CC1 ZINC000572228165 387280403 /nfs/dbraw/zinc/28/04/03/387280403.db2.gz XBYLOOUEVRXMRK-IUCAKERBSA-N 0 3 205.273 0.600 20 0 BCADHN Cc1occc1CNC[C@@H]1CN(C)CCN1C ZINC000321617165 387283351 /nfs/dbraw/zinc/28/33/51/387283351.db2.gz ZWUKZFJCEAKKAP-CYBMUJFWSA-N 0 3 237.347 0.923 20 0 BCADHN CCO[C@@H]1C[C@H](NC[C@H](O)CSC)[C@@H]1OC ZINC000514857092 387296841 /nfs/dbraw/zinc/29/68/41/387296841.db2.gz WONFOMCVNSFGPS-MMWGEVLESA-N 0 3 249.376 0.492 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1ccn(C(C)C)n1 ZINC000514860337 387298265 /nfs/dbraw/zinc/29/82/65/387298265.db2.gz CVVPGIBORNPPOD-JTQLQIEISA-N 0 3 240.307 0.054 20 0 BCADHN COC(=O)[C@H]1CN(CC(OC)OC)CC1(C)C ZINC000372461432 387304881 /nfs/dbraw/zinc/30/48/81/387304881.db2.gz CHNNEULXNZSUKI-SECBINFHSA-N 0 3 245.319 0.736 20 0 BCADHN COC(=O)[C@@H]1CN(CC(OC)OC)CC1(C)C ZINC000372461434 387305118 /nfs/dbraw/zinc/30/51/18/387305118.db2.gz CHNNEULXNZSUKI-VIFPVBQESA-N 0 3 245.319 0.736 20 0 BCADHN CCCCN(CC[C@H]1CCNC1=O)CC(N)=O ZINC000514929661 387308121 /nfs/dbraw/zinc/30/81/21/387308121.db2.gz MVBYLOBZNRGEMA-SNVBAGLBSA-N 0 3 241.335 0.100 20 0 BCADHN C[C@H](O)CC(C)(C)CNC(=O)[C@]1(F)CCNC1 ZINC000305099117 387309383 /nfs/dbraw/zinc/30/93/83/387309383.db2.gz AINAONQXSLVDCL-CABZTGNLSA-N 0 3 246.326 0.601 20 0 BCADHN CC(C(=O)NCCCCF)S(C)(=O)=O ZINC000360830282 387355964 /nfs/dbraw/zinc/35/59/64/387355964.db2.gz FGYNGWMZRVCXEE-SSDOTTSWSA-N 0 3 225.285 0.285 20 0 BCADHN Cc1ncc(CN[C@H]2C[C@@](C)(O)C2)n1C ZINC000515312037 387359705 /nfs/dbraw/zinc/35/97/05/387359705.db2.gz CTCPHQWFXTZERR-JGZJWPJOSA-N 0 3 209.293 0.732 20 0 BCADHN CS[C@@H](C)CC(=O)N1CCN(C)C[C@@H]1CN ZINC000515302185 387360439 /nfs/dbraw/zinc/36/04/39/387360439.db2.gz LRTJDKOURNKXIT-UWVGGRQHSA-N 0 3 245.392 0.229 20 0 BCADHN CCc1ncc(NC(=O)[C@H](N)CC(F)F)cn1 ZINC000515299108 387360720 /nfs/dbraw/zinc/36/07/20/387360720.db2.gz LVKYDLQSTSIZIP-SSDOTTSWSA-N 0 3 244.245 0.960 20 0 BCADHN CC(C)N1CCC[C@H](NC(=O)C2(O)CCC2)C1 ZINC000336539778 387362334 /nfs/dbraw/zinc/36/23/34/387362334.db2.gz CMNOWORLOBVGMJ-NSHDSACASA-N 0 3 240.347 0.890 20 0 BCADHN COC[C@H](N[C@H]1CNCCC1(F)F)C1CC1 ZINC000423481185 387362878 /nfs/dbraw/zinc/36/28/78/387362878.db2.gz PYHBWNLKVVHDEB-UWVGGRQHSA-N 0 3 234.290 0.998 20 0 BCADHN CCn1nnc(C)c1CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000648593070 387363043 /nfs/dbraw/zinc/36/30/43/387363043.db2.gz PVBCHYVFZZWAOR-YPMHNXCESA-N 0 3 249.362 0.742 20 0 BCADHN CCn1nnc(C)c1CN1CC[C@H]2CN(C)C[C@H]21 ZINC000648593069 387363491 /nfs/dbraw/zinc/36/34/91/387363491.db2.gz PVBCHYVFZZWAOR-WCQYABFASA-N 0 3 249.362 0.742 20 0 BCADHN CS[C@@H](C)CNC(=O)N[C@@H](C)CN(C)C ZINC000354498255 387384301 /nfs/dbraw/zinc/38/43/01/387384301.db2.gz BAURWQVVIBDXOJ-IUCAKERBSA-N 0 3 233.381 0.987 20 0 BCADHN CO[C@@]1(C)CCCN([C@H]2CCNC2=O)CC1 ZINC000336547966 387369614 /nfs/dbraw/zinc/36/96/14/387369614.db2.gz ICZWYZRYZFXAEO-JQWIXIFHSA-N 0 3 226.320 0.766 20 0 BCADHN COC[C@@H](O)CNCc1cn(C)nc1C(F)F ZINC000360954391 387373374 /nfs/dbraw/zinc/37/33/74/387373374.db2.gz MNSMEKCTEUYFIG-QMMMGPOBSA-N 0 3 249.261 0.455 20 0 BCADHN Cc1ccc(CN2C[C@H](O)C[C@H]2CO)c(C)n1 ZINC000373500817 387375631 /nfs/dbraw/zinc/37/56/31/387375631.db2.gz LDFJSNLVJQITRM-QWHCGFSZSA-N 0 3 236.315 0.626 20 0 BCADHN CC[C@@H](C(=O)N1CCC([C@@H](C)O)CC1)N(C)C ZINC000360980888 387380757 /nfs/dbraw/zinc/38/07/57/387380757.db2.gz DAAQHIJWYJZQQD-PWSUYJOCSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@H](CC(N)=O)N[C@H]1CCCc2nn(C)cc21 ZINC000373560197 387381243 /nfs/dbraw/zinc/38/12/43/387381243.db2.gz FDEPMYUTQYFCNF-SCZZXKLOSA-N 0 3 236.319 0.651 20 0 BCADHN CO[C@@H](C)[C@@H](C)NC[C@H](C)S(C)(=O)=O ZINC000515468402 387381674 /nfs/dbraw/zinc/38/16/74/387381674.db2.gz ZVWIOZYJNYBOJN-YIZRAAEISA-N 0 3 223.338 0.433 20 0 BCADHN C[C@]1(O)CCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000336558630 387382130 /nfs/dbraw/zinc/38/21/30/387382130.db2.gz KKDNDNLKHMLILV-PWSUYJOCSA-N 0 3 224.304 0.206 20 0 BCADHN CC(C)CC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000372732682 387321501 /nfs/dbraw/zinc/32/15/01/387321501.db2.gz QTYMIBXYIKNGKT-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](N[C@@H]1COC(C)(C)C1)C(=O)NCCF ZINC000514678028 387321679 /nfs/dbraw/zinc/32/16/79/387321679.db2.gz NVCYXUYBSUPQLG-BDAKNGLRSA-N 0 3 232.299 0.618 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCCSCC1 ZINC000336557937 387382537 /nfs/dbraw/zinc/38/25/37/387382537.db2.gz YSQPVMANFYCZKY-JTQLQIEISA-N 0 3 217.334 0.765 20 0 BCADHN C[C@@H](N[C@H]1COC(C)(C)C1)C(=O)NCCF ZINC000514678042 387323729 /nfs/dbraw/zinc/32/37/29/387323729.db2.gz NVCYXUYBSUPQLG-RKDXNWHRSA-N 0 3 232.299 0.618 20 0 BCADHN COC[C@@H](CNCc1c(C)cnn1C)OC ZINC000286226283 387324465 /nfs/dbraw/zinc/32/44/65/387324465.db2.gz YXCYMIFJLSJVSW-SNVBAGLBSA-N 0 3 227.308 0.480 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@H](CO)[C@H]1C ZINC000336558485 387382652 /nfs/dbraw/zinc/38/26/52/387382652.db2.gz XKXBEZMKLRBIDF-GHMZBOCLSA-N 0 3 223.320 0.931 20 0 BCADHN CCC[C@H]1C[C@H]1C(=O)NCCN(CC)CCO ZINC000360664453 387330651 /nfs/dbraw/zinc/33/06/51/387330651.db2.gz HSVUGYKTWBNPAO-NWDGAFQWSA-N 0 3 242.363 0.853 20 0 BCADHN Cc1cnn(C)c1CN[C@H](CO)C(C)C ZINC000286631118 387335018 /nfs/dbraw/zinc/33/50/18/387335018.db2.gz SOOPQEMWJPUJSX-SNVBAGLBSA-N 0 3 211.309 0.835 20 0 BCADHN O=C1O[C@@H](CN2CCCOCC2)CC12CC2 ZINC000373036058 387342286 /nfs/dbraw/zinc/34/22/86/387342286.db2.gz KVCSOFDEMKSIIQ-SNVBAGLBSA-N 0 3 225.288 0.804 20 0 BCADHN Cc1ccncc1[C@@H](C)NC[C@H]1CNCCN1C ZINC000423504952 387343320 /nfs/dbraw/zinc/34/33/20/387343320.db2.gz GHCQDSGJHLJONT-CHWSQXEVSA-N 0 3 248.374 0.944 20 0 BCADHN CCO[C@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000352591314 387343686 /nfs/dbraw/zinc/34/36/86/387343686.db2.gz RNIZALHMFLODKK-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H](CC[NH3+])NC(=O)c1ccc2n[n-]nc2c1 ZINC000423506084 387344544 /nfs/dbraw/zinc/34/45/44/387344544.db2.gz MBIICXCEBJJHKF-ZETCQYMHSA-N 0 3 233.275 0.425 20 0 BCADHN CC[C@H]1C[C@H](NC(=O)[C@@H](C)N)CCO1 ZINC000572361916 387345612 /nfs/dbraw/zinc/34/56/12/387345612.db2.gz INQUYYNWFKAYGE-HLTSFMKQSA-N 0 3 200.282 0.407 20 0 BCADHN CCCCN1CCN2C(=O)N(C)C[C@H]2C1 ZINC000373236946 387348531 /nfs/dbraw/zinc/34/85/31/387348531.db2.gz MTKWEJFSBCMRNW-JTQLQIEISA-N 0 3 211.309 0.838 20 0 BCADHN CCCCN1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373236947 387349076 /nfs/dbraw/zinc/34/90/76/387349076.db2.gz MTKWEJFSBCMRNW-SNVBAGLBSA-N 0 3 211.309 0.838 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)nc(C)n1 ZINC000423515936 387349692 /nfs/dbraw/zinc/34/96/92/387349692.db2.gz XQRWNPWAJKIYRI-NXEZZACHSA-N 0 3 248.330 0.916 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@@](O)(C2CC2)C1 ZINC000373247552 387351106 /nfs/dbraw/zinc/35/11/06/387351106.db2.gz RKDLQRKSVXIUGA-RNCFNFMXSA-N 0 3 238.331 0.500 20 0 BCADHN O=C1NCC[C@@]12CCCN2CCc1ccncc1 ZINC000572374985 387352328 /nfs/dbraw/zinc/35/23/28/387352328.db2.gz GXFYKOOEGADTJR-AWEZNQCLSA-N 0 3 245.326 0.979 20 0 BCADHN O=C(NCC[C@@H]1CCCCO1)[C@H]1C[C@H](F)CN1 ZINC000423786813 387424048 /nfs/dbraw/zinc/42/40/48/387424048.db2.gz VPGXBOCZXJRYAC-GARJFASQSA-N 0 3 244.310 0.762 20 0 BCADHN CN1CCC(O)(CNC(=O)c2cc[nH]c2)CC1 ZINC000354728636 387424522 /nfs/dbraw/zinc/42/45/22/387424522.db2.gz IDDXBGYENRLREJ-UHFFFAOYSA-N 0 3 237.303 0.201 20 0 BCADHN CCC(C)(C)CC(=O)NC[C@H]1CNCCO1 ZINC000423985457 387461336 /nfs/dbraw/zinc/46/13/36/387461336.db2.gz DLXJPRSZEFPEEF-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN CC(C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1)S(C)(=O)=O ZINC000648671515 387425760 /nfs/dbraw/zinc/42/57/60/387425760.db2.gz QBIHOAIBRSGZRO-XFWSIPNHSA-N 0 3 245.344 0.724 20 0 BCADHN CCN(CCO)CCNC(=O)C1CC(C)(C)C1 ZINC000354763256 387426855 /nfs/dbraw/zinc/42/68/55/387426855.db2.gz OQRIARJOZFGGQI-UHFFFAOYSA-N 0 3 242.363 0.853 20 0 BCADHN NC1(C(=O)N2CCC[C@H](OCC3CC3)C2)CC1 ZINC000423791841 387427103 /nfs/dbraw/zinc/42/71/03/387427103.db2.gz BOYXBMUDUNJCDN-NSHDSACASA-N 0 3 238.331 0.895 20 0 BCADHN CCOC(=O)CC[C@H](C)NC(=O)C1(N)CCC1 ZINC000423793136 387427475 /nfs/dbraw/zinc/42/74/75/387427475.db2.gz DSBVTOIONYWZMW-VIFPVBQESA-N 0 3 242.319 0.716 20 0 BCADHN CCN(CC)CC(=O)N[C@](C)(CC)C(=O)OC ZINC000354754669 387427864 /nfs/dbraw/zinc/42/78/64/387427864.db2.gz BBGORSCJUGWVNQ-GFCCVEGCSA-N 0 3 244.335 0.786 20 0 BCADHN CCC[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)C(=O)OC ZINC000423794908 387427878 /nfs/dbraw/zinc/42/78/78/387427878.db2.gz FIUHONPRRYEZED-DJLDLDEBSA-N 0 3 246.282 0.144 20 0 BCADHN COc1cccc2c1nc(NC(=O)[C@H](C)N)n2C ZINC000423787000 387428091 /nfs/dbraw/zinc/42/80/91/387428091.db2.gz AQXIIGJOPXILJK-ZETCQYMHSA-N 0 3 248.286 0.868 20 0 BCADHN CCOC(=O)CC[C@H](C)NC(=O)C(C)(C)N ZINC000423798211 387429484 /nfs/dbraw/zinc/42/94/84/387429484.db2.gz IMBQGWWDIDICAI-QMMMGPOBSA-N 0 3 230.308 0.572 20 0 BCADHN CCC[C@H](N)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000423804097 387429768 /nfs/dbraw/zinc/42/97/68/387429768.db2.gz RQGDYWZTEQFSGI-WDEREUQCSA-N 0 3 226.320 0.751 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCOC[C@H]1C1CC1 ZINC000423804093 387429793 /nfs/dbraw/zinc/42/97/93/387429793.db2.gz RQGDYWZTEQFSGI-MNOVXSKESA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H]1C[C@H](CN(C)[C@@H]2CCN(C)C2=O)CCO1 ZINC000352667805 387430027 /nfs/dbraw/zinc/43/00/27/387430027.db2.gz NKCWLMGXDVOLKC-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CCC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C(=O)OC ZINC000423796758 387430287 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ZINC000044499918 387682521 /nfs/dbraw/zinc/68/25/21/387682521.db2.gz JZHLHZZBSPQJKF-ONGXEEELSA-N 0 3 225.292 0.486 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@H]1CC[C@@H](C)O1 ZINC000451947512 387685418 /nfs/dbraw/zinc/68/54/18/387685418.db2.gz PGIIFGRIGOIVDE-DDHJBXDOSA-N 0 3 229.320 0.947 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@H](O)CSC ZINC000451950024 387685493 /nfs/dbraw/zinc/68/54/93/387685493.db2.gz YUPUOWKSDSBUIR-IVZWLZJFSA-N 0 3 235.349 0.104 20 0 BCADHN COC[C@H](N[C@H]1CCC(=O)N(C)C1=O)C1CC1 ZINC000126537963 387685676 /nfs/dbraw/zinc/68/56/76/387685676.db2.gz HUHFIRWSXDNTLT-UWVGGRQHSA-N 0 3 240.303 0.148 20 0 BCADHN COC[C@H](O)CN1CCC[C@@H](n2cccn2)C1 ZINC000126529622 387686038 /nfs/dbraw/zinc/68/60/38/387686038.db2.gz JUGVOCJSBDWDPX-VXGBXAGGSA-N 0 3 239.319 0.527 20 0 BCADHN COC[C@H](N[C@H]1CCC(=O)N(C)C1=O)C(C)C ZINC000126537744 387686091 /nfs/dbraw/zinc/68/60/91/387686091.db2.gz HPDLHNUUKHPEJI-UWVGGRQHSA-N 0 3 242.319 0.394 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)CC1CCN(C)CC1 ZINC000362998036 387686907 /nfs/dbraw/zinc/68/69/07/387686907.db2.gz UQMFGBZNRHQRNS-GFCCVEGCSA-N 0 3 242.363 0.851 20 0 BCADHN Cc1ncc(CNC[C@H](O)[C@H]2CCCO2)n1C ZINC000527757777 387696544 /nfs/dbraw/zinc/69/65/44/387696544.db2.gz ROOHDMNVQPRELY-NWDGAFQWSA-N 0 3 239.319 0.358 20 0 BCADHN O=C1CCCN1CCN1CCC2(CCO2)CC1 ZINC000377120243 387691616 /nfs/dbraw/zinc/69/16/16/387691616.db2.gz NEJGAFXXGYIFLD-UHFFFAOYSA-N 0 3 238.331 0.864 20 0 BCADHN C[C@@H](O)CN1CCCC[C@@H]1C(=N)NO ZINC000377115490 387692238 /nfs/dbraw/zinc/69/22/38/387692238.db2.gz SJDIYUHRWILHQC-HTQZYQBOSA-N 0 3 201.270 0.178 20 0 BCADHN C[C@@H](O)CN1CCCC[C@H]1C(=N)NO ZINC000377115493 387692600 /nfs/dbraw/zinc/69/26/00/387692600.db2.gz SJDIYUHRWILHQC-SFYZADRCSA-N 0 3 201.270 0.178 20 0 BCADHN Cc1noc(C)c1CN1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000377726053 387743713 /nfs/dbraw/zinc/74/37/13/387743713.db2.gz ONIBNPQOXGIFID-GHMZBOCLSA-N 0 3 249.314 0.859 20 0 BCADHN CO[C@@H]1CCC[C@@H](C(=O)NCCN(C)C)C1 ZINC000432045479 387747302 /nfs/dbraw/zinc/74/73/02/387747302.db2.gz IMJPFTSDVKSNNF-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CN(C)CCNC(=O)CCc1cncs1 ZINC000432045207 387747853 /nfs/dbraw/zinc/74/78/53/387747853.db2.gz HXSOMSAMHOVPJF-UHFFFAOYSA-N 0 3 227.333 0.754 20 0 BCADHN Cc1ccc(O)c(CN[C@H]2C(=O)NCC[C@@H]2C)n1 ZINC000441338497 387748246 /nfs/dbraw/zinc/74/82/46/387748246.db2.gz FMFTUVPQOSMXSU-QPUJVOFHSA-N 0 3 249.314 0.710 20 0 BCADHN CCN(C)C(=O)CN(C)[C@@H]1CCN(C(C)C)C1 ZINC000452121309 387749988 /nfs/dbraw/zinc/74/99/88/387749988.db2.gz SKPIMXMMEARIQV-GFCCVEGCSA-N 0 3 241.379 0.879 20 0 BCADHN CN(C)CCOCCNC(=O)C1=CCOCC1 ZINC000356670456 387697134 /nfs/dbraw/zinc/69/71/34/387697134.db2.gz ICSOAYCIEAVHJA-UHFFFAOYSA-N 0 3 242.319 0.028 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCn1cnc2ccccc21 ZINC000424143640 387754890 /nfs/dbraw/zinc/75/48/90/387754890.db2.gz ZYYRZZCGIFSMLS-VHSXEESVSA-N 0 3 244.298 0.500 20 0 BCADHN CO[C@H](C)CN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452007654 387698543 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GOFFARIYGJOHQN-UHFFFAOYSA-N 0 3 222.292 0.567 20 0 BCADHN CCO[C@@H]1CCCC[C@H]1NCC(=O)NC ZINC000452058625 387715586 /nfs/dbraw/zinc/71/55/86/387715586.db2.gz YBWSMLOOZTVGGW-NXEZZACHSA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000127455988 387715737 /nfs/dbraw/zinc/71/57/37/387715737.db2.gz LFFJAUFUIMYHCV-IJLUTSLNSA-N 0 3 242.363 0.899 20 0 BCADHN CCN(C[C@@H]1CCCOC1)[C@@H]1CCNC1=O ZINC000440954421 387716249 /nfs/dbraw/zinc/71/62/49/387716249.db2.gz LUKBQEXXWQUADB-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CCC[C@@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)N(C)C ZINC000422820382 387716481 /nfs/dbraw/zinc/71/64/81/387716481.db2.gz QGTOLAODEUSQAR-TUAOUCFPSA-N 0 3 241.379 0.926 20 0 BCADHN CNS(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000367555101 387719223 /nfs/dbraw/zinc/71/92/23/387719223.db2.gz YRQUVQOXVLVOBP-SECBINFHSA-N 0 3 247.364 0.057 20 0 BCADHN CC(C)N1CC[C@@H](N2C[C@H](C)C[C@@H](O)C2)C1=O ZINC000452064503 387720332 /nfs/dbraw/zinc/72/03/32/387720332.db2.gz FNDSGGBIUNEWQF-IJLUTSLNSA-N 0 3 240.347 0.698 20 0 BCADHN O=C(CN1CCC[C@@H]1C1CC1)N1CCNC1=O ZINC000377534231 387722347 /nfs/dbraw/zinc/72/23/47/387722347.db2.gz QSWIPUNZHASFCT-SNVBAGLBSA-N 0 3 237.303 0.413 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cnnn1C ZINC000527802645 387724771 /nfs/dbraw/zinc/72/47/71/387724771.db2.gz ASSJSSBKEKQSAL-PKIKSRDPSA-N 0 3 224.308 0.717 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@H](C)C[C@@H](O)C1 ZINC000452071267 387725904 /nfs/dbraw/zinc/72/59/04/387725904.db2.gz TZNHOAUKDFPZET-IJLUTSLNSA-N 0 3 242.363 0.944 20 0 BCADHN COC(=O)[C@@H](C)CN1CCOCC2(CC2)C1 ZINC000367559711 387728056 /nfs/dbraw/zinc/72/80/56/387728056.db2.gz OWTAAAVKYFNKER-JTQLQIEISA-N 0 3 227.304 0.908 20 0 BCADHN CCN(CCNC(=O)C[S@@](=O)CC)C1CC1 ZINC000431767947 387730284 /nfs/dbraw/zinc/73/02/84/387730284.db2.gz HZKFCBXWEUZUHM-INIZCTEOSA-N 0 3 246.376 0.356 20 0 BCADHN CC(C)COCCN1CCN(CCO)C[C@@H]1C ZINC000452116239 387731365 /nfs/dbraw/zinc/73/13/65/387731365.db2.gz CAVMMEKZXGNNKZ-ZDUSSCGKSA-N 0 3 244.379 0.657 20 0 BCADHN CN(C)CCNC(=O)c1cccc2c[nH]nc21 ZINC000127911081 387731548 /nfs/dbraw/zinc/73/15/48/387731548.db2.gz JSLXTAHULZTGEI-UHFFFAOYSA-N 0 3 232.287 0.854 20 0 BCADHN CCOCCN1C[C@H](N2CCOCC2)C[C@H]1C ZINC000367606288 387733077 /nfs/dbraw/zinc/73/30/77/387733077.db2.gz VZGXVHIHVSYEFM-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN COC(CN1CC[C@](CO)(C(C)C)C1)OC ZINC000377666221 387733305 /nfs/dbraw/zinc/73/33/05/387733305.db2.gz CADPJLKCNRYMSO-LBPRGKRZSA-N 0 3 231.336 0.946 20 0 BCADHN Cc1noc(CCCNCc2cncn2C)n1 ZINC000356863454 387736210 /nfs/dbraw/zinc/73/62/10/387736210.db2.gz KITMAUNUOJYHRV-UHFFFAOYSA-N 0 3 235.291 0.834 20 0 BCADHN CCNC(=O)CN1CCC[C@@H](COC)CC1 ZINC000452098664 387736520 /nfs/dbraw/zinc/73/65/20/387736520.db2.gz ZSJPQWBWISXLBR-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CC(=O)NCCCN1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452106435 387737361 /nfs/dbraw/zinc/73/73/61/387737361.db2.gz OHERJBKIEGRHGG-NEPJUHHUSA-N 0 3 240.347 0.869 20 0 BCADHN CN(C)CCN(C(=O)c1nccnc1N)C1CC1 ZINC000356874061 387738278 /nfs/dbraw/zinc/73/82/78/387738278.db2.gz LMZSQFAOWQKEEG-UHFFFAOYSA-N 0 3 249.318 0.225 20 0 BCADHN CN(CCN1CCCC1)Cc1nccn1C ZINC000161981508 387738605 /nfs/dbraw/zinc/73/86/05/387738605.db2.gz CDNZWMNIDRJQLW-UHFFFAOYSA-N 0 3 222.336 0.948 20 0 BCADHN CN(C)CCN(C(=O)[C@@H]1CCCOC1)C1CC1 ZINC000356879100 387738885 /nfs/dbraw/zinc/73/88/85/387738885.db2.gz HTXGGZOIDYNAAM-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CCOC[C@@H](O)CN1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452103817 387739110 /nfs/dbraw/zinc/73/91/10/387739110.db2.gz IPBWOQWPFRXEDQ-TUAOUCFPSA-N 0 3 243.347 0.741 20 0 BCADHN COC(=O)[C@@H]1CCN(CCC(=O)OC(C)C)C1 ZINC000441243451 387740304 /nfs/dbraw/zinc/74/03/04/387740304.db2.gz XEEDRPGXHWDQSZ-SNVBAGLBSA-N 0 3 243.303 0.823 20 0 BCADHN CN(C)CCN(C(=O)c1ccon1)C1CC1 ZINC000356891476 387740619 /nfs/dbraw/zinc/74/06/19/387740619.db2.gz FWKXSWKLKDSTSM-UHFFFAOYSA-N 0 3 223.276 0.841 20 0 BCADHN COC(=O)[C@H]1CCN(CCC(=O)OC(C)C)C1 ZINC000441243450 387740728 /nfs/dbraw/zinc/74/07/28/387740728.db2.gz XEEDRPGXHWDQSZ-JTQLQIEISA-N 0 3 243.303 0.823 20 0 BCADHN CC(C(=O)N1CCC[C@@H]1C1CC1)S(C)(=O)=O ZINC000377686198 387742191 /nfs/dbraw/zinc/74/21/91/387742191.db2.gz JOSVCKHJDSRGIN-PSASIEDQSA-N 0 3 245.344 0.821 20 0 BCADHN CC(=O)CCC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000367251445 387761957 /nfs/dbraw/zinc/76/19/57/387761957.db2.gz OBAFDVRLPHBXNQ-NEPJUHHUSA-N 0 3 238.331 0.908 20 0 BCADHN CSCC[C@@H](N)C(=O)Nc1cc(C)[nH]n1 ZINC000157185448 387765108 /nfs/dbraw/zinc/76/51/08/387765108.db2.gz AFUDRKZOTPQSKG-SSDOTTSWSA-N 0 3 228.321 0.737 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCC[C@H](C)OC ZINC000422896467 387766235 /nfs/dbraw/zinc/76/62/35/387766235.db2.gz AEUDOGKPIWNOOI-GARJFASQSA-N 0 3 244.335 0.295 20 0 BCADHN Cn1ccc(NC(=O)[C@]2(F)CCNC2)n1 ZINC000150766350 387768488 /nfs/dbraw/zinc/76/84/88/387768488.db2.gz GPLKLKCPDXHEPL-VIFPVBQESA-N 0 3 212.228 0.060 20 0 BCADHN COC[C@H](NC(=O)C1CCN(C)CC1)C1CC1 ZINC000441587614 387770570 /nfs/dbraw/zinc/77/05/70/387770570.db2.gz HKMXHUQHTCTLHB-LBPRGKRZSA-N 0 3 240.347 0.869 20 0 BCADHN COCCCCN1CCN(CCO)CC1 ZINC000157211416 387770735 /nfs/dbraw/zinc/77/07/35/387770735.db2.gz QCERBRSFIODURB-UHFFFAOYSA-N 0 3 216.325 0.023 20 0 BCADHN O=C1NC[C@H](CN2CC[C@H]3OCCC[C@@H]3C2)O1 ZINC000378278883 387774538 /nfs/dbraw/zinc/77/45/38/387774538.db2.gz DAAKXYJUKOTTIP-GMTAPVOTSA-N 0 3 240.303 0.596 20 0 BCADHN CN(C)C1(CNC(=O)N(C)CCCO)CCC1 ZINC000442651852 387812248 /nfs/dbraw/zinc/81/22/48/387812248.db2.gz NELOBROVPJEESY-UHFFFAOYSA-N 0 3 243.351 0.495 20 0 BCADHN CCN(CC)CC(=O)NCC[C@H](C)CCO ZINC000452244476 387778788 /nfs/dbraw/zinc/77/87/88/387778788.db2.gz DOEPDKAMOVTDRR-NSHDSACASA-N 0 3 230.352 0.853 20 0 BCADHN Cc1c(N[C@H](C)C[C@H]2COCCN2)cnn1C ZINC000422925816 387780341 /nfs/dbraw/zinc/78/03/41/387780341.db2.gz VNURISQMSRGTIY-KOLCDFICSA-N 0 3 238.335 0.907 20 0 BCADHN CNS(=O)(=O)[C@H]1CCCN(C2CCC2)C1 ZINC000378369535 387781401 /nfs/dbraw/zinc/78/14/01/387781401.db2.gz LGHQNAKEXUONHR-JTQLQIEISA-N 0 3 232.349 0.553 20 0 BCADHN O=C(CN1CC2CCC1CC2)N1CCNC1=O ZINC000378384997 387782416 /nfs/dbraw/zinc/78/24/16/387782416.db2.gz POJNEJQEAWRGSE-UHFFFAOYSA-N 0 3 237.303 0.413 20 0 BCADHN CCO[C@@H](CCNC(=O)[C@@H]1C[C@@H]1N)C(C)C ZINC000424149592 387790210 /nfs/dbraw/zinc/79/02/10/387790210.db2.gz HJANRVHZEASXHK-VWYCJHECSA-N 0 3 228.336 0.901 20 0 BCADHN CCOC1(C)CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000452286027 387790930 /nfs/dbraw/zinc/79/09/30/387790930.db2.gz QJPVRIVQYHJUFM-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN CCOC1(C)CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000452286821 387791248 /nfs/dbraw/zinc/79/12/48/387791248.db2.gz UIHWXJXCCCVHKZ-MRVPVSSYSA-N 0 3 249.332 0.057 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000424150194 387793576 /nfs/dbraw/zinc/79/35/76/387793576.db2.gz YJCGFOAFQPIITP-HBNTYKKESA-N 0 3 234.303 0.811 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1ccc(F)c(F)c1 ZINC000050465121 387795997 /nfs/dbraw/zinc/79/59/97/387795997.db2.gz QBYSHSCSCCKCOC-OIBJUYFYSA-N 0 3 226.226 0.928 20 0 BCADHN COCC1(N(C)CCNC(=O)NC(C)C)CC1 ZINC000645842338 387796933 /nfs/dbraw/zinc/79/69/33/387796933.db2.gz GJTIJUHFLUTLHU-UHFFFAOYSA-N 0 3 243.351 0.805 20 0 BCADHN COC(=O)CCCN[C@@H]1C(=O)NCC[C@@H]1C ZINC000193581064 387797414 /nfs/dbraw/zinc/79/74/14/387797414.db2.gz NIONQUNZTXUHRG-WPRPVWTQSA-N 0 3 228.292 0.054 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCOC[C@H]1C ZINC000432476840 387797788 /nfs/dbraw/zinc/79/77/88/387797788.db2.gz OCYJGKAWXDDAGA-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN CSCCN[C@@H]1C(=O)NCC[C@H]1C ZINC000193661643 387799894 /nfs/dbraw/zinc/79/98/94/387799894.db2.gz WPVGSWXFMOGPTR-SFYZADRCSA-N 0 3 202.323 0.464 20 0 BCADHN CSCCN[C@H]1C(=O)NCC[C@@H]1C ZINC000193661632 387800308 /nfs/dbraw/zinc/80/03/08/387800308.db2.gz WPVGSWXFMOGPTR-JGVFFNPUSA-N 0 3 202.323 0.464 20 0 BCADHN CC(C)CC(=O)NC[C@H]1CCCN1CCCO ZINC000452348104 387806270 /nfs/dbraw/zinc/80/62/70/387806270.db2.gz KMNKQBFFKBQLLN-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](NC[C@H](O)[C@@H]1CCCO1)c1ccnn1C ZINC000527959798 387809556 /nfs/dbraw/zinc/80/95/56/387809556.db2.gz YNCDYYLXJXCFCC-DLOVCJGASA-N 0 3 239.319 0.611 20 0 BCADHN CC(C)[C@@H](O)CNCc1ccc(C(N)=O)cc1 ZINC000134698065 387809795 /nfs/dbraw/zinc/80/97/95/387809795.db2.gz AJALGOYGCKUODS-LBPRGKRZSA-N 0 3 236.315 0.892 20 0 BCADHN CC(C)CC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452378021 387811455 /nfs/dbraw/zinc/81/14/55/387811455.db2.gz UJKUAPJMEJABBS-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H]1[C@H](NC(=O)N(C)CCCO)CCCN1C ZINC000442647146 387811514 /nfs/dbraw/zinc/81/15/14/387811514.db2.gz LFMHIRSOPQFRTG-GHMZBOCLSA-N 0 3 243.351 0.493 20 0 BCADHN CCCCN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000377904254 387757261 /nfs/dbraw/zinc/75/72/61/387757261.db2.gz DIMXHLMXKRQSBH-SECBINFHSA-N 0 3 220.338 0.539 20 0 BCADHN COC(=O)CCCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367821928 387757579 /nfs/dbraw/zinc/75/75/79/387757579.db2.gz JRYPGKCLGWOZCM-MYJAWHEDSA-N 0 3 213.277 0.110 20 0 BCADHN CC[C@@H](C(N)=O)N1C[C@@H](C(=O)OC)C(C)(C)C1 ZINC000377985064 387759941 /nfs/dbraw/zinc/75/99/41/387759941.db2.gz FLRISDJFSPSPFZ-IUCAKERBSA-N 0 3 242.319 0.381 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000432787436 387820559 /nfs/dbraw/zinc/82/05/59/387820559.db2.gz SHBLYKREKUJLKB-VWYCJHECSA-N 0 3 228.336 0.589 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1cccc2c1CCN2 ZINC000564075315 387821123 /nfs/dbraw/zinc/82/11/23/387821123.db2.gz RALXXGLXYNEENT-DTWKUNHWSA-N 0 3 217.272 0.940 20 0 BCADHN CC(C)NC(=O)NCCN1C[C@@H](C)[C@@H](O)C1 ZINC000645844576 387821711 /nfs/dbraw/zinc/82/17/11/387821711.db2.gz CEOVGBWCDOYOAN-ZJUUUORDSA-N 0 3 229.324 0.007 20 0 BCADHN C[C@H](CC(N)=O)NCc1cccc(C(N)=O)c1 ZINC000135707855 387822429 /nfs/dbraw/zinc/82/24/29/387822429.db2.gz JBYCRWJNOAHHDH-MRVPVSSYSA-N 0 3 235.287 0.139 20 0 BCADHN CC[C@H]1CCCCN1C(=O)C(=O)N(C)CCN ZINC000422973552 387823067 /nfs/dbraw/zinc/82/30/67/387823067.db2.gz CBYFMQDLCDTPAR-JTQLQIEISA-N 0 3 241.335 0.195 20 0 BCADHN CC(C)N(C)CC(=O)NCCC(C)(C)CO ZINC000452433956 387824380 /nfs/dbraw/zinc/82/43/80/387824380.db2.gz SUMHRJXGGOSAAX-UHFFFAOYSA-N 0 3 230.352 0.851 20 0 BCADHN Cn1ccc(N2CC[C@H](NCC3CC3)C2=O)n1 ZINC000360094266 387825229 /nfs/dbraw/zinc/82/52/29/387825229.db2.gz ZPUSSDJOFZXIIQ-JTQLQIEISA-N 0 3 234.303 0.525 20 0 BCADHN CCC[C@@](C)(O)C(=O)NC[C@@H](C)N(C)C ZINC000432808505 387825278 /nfs/dbraw/zinc/82/52/78/387825278.db2.gz SLAMLCAKUUPJJO-MWLCHTKSSA-N 0 3 216.325 0.604 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](C)CCCO)N(C)C ZINC000452441394 387825889 /nfs/dbraw/zinc/82/58/89/387825889.db2.gz LQWBBBCWSYLBTI-QWRGUYRKSA-N 0 3 230.352 0.851 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](C)CCCO ZINC000452442613 387826305 /nfs/dbraw/zinc/82/63/05/387826305.db2.gz NXBQFOVNZCIABJ-LLVKDONJSA-N 0 3 230.352 0.853 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](C)CCCO)N(C)C ZINC000452441392 387826386 /nfs/dbraw/zinc/82/63/86/387826386.db2.gz LQWBBBCWSYLBTI-MNOVXSKESA-N 0 3 230.352 0.851 20 0 BCADHN CC[C@@H](CO)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC000564101821 387827822 /nfs/dbraw/zinc/82/78/22/387827822.db2.gz YAJLCICSDKLYNJ-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN CCN1CCC[C@@H]1CNCc1cn(C)nn1 ZINC000054858664 387828790 /nfs/dbraw/zinc/82/87/90/387828790.db2.gz XISMDDYPAUCFJO-LLVKDONJSA-N 0 3 223.324 0.389 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000442721739 387828986 /nfs/dbraw/zinc/82/89/86/387828986.db2.gz UJNMCYSMCROEQZ-NXEZZACHSA-N 0 3 241.335 0.241 20 0 BCADHN Cc1nc(CCN(C)C[C@H](O)C(C)C)no1 ZINC000432828862 387830537 /nfs/dbraw/zinc/83/05/37/387830537.db2.gz LAIPWCFUICUKNO-JTQLQIEISA-N 0 3 227.308 0.869 20 0 BCADHN CCC1(NC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000452459801 387831029 /nfs/dbraw/zinc/83/10/29/387831029.db2.gz MGHFXBNCUDVNFZ-LLVKDONJSA-N 0 3 237.347 0.435 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC000194113809 387873560 /nfs/dbraw/zinc/87/35/60/387873560.db2.gz XISPGRVSNBLBNU-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CCC[C@H](C(=O)N[C@H]1CC[C@@H](CO)C1)N(C)C ZINC000452498148 387840331 /nfs/dbraw/zinc/84/03/31/387840331.db2.gz COBFOJHEPBMEGG-GRYCIOLGSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1C[C@@H]1N ZINC000424165127 387846185 /nfs/dbraw/zinc/84/61/85/387846185.db2.gz DMRHNYMETXPELX-YIZRAAEISA-N 0 3 241.335 0.095 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)CCCCO)N(C)C ZINC000452518507 387847379 /nfs/dbraw/zinc/84/73/79/387847379.db2.gz YCOWPZMQOXSGOX-MNOVXSKESA-N 0 3 230.352 0.994 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NC[C@H]1CCCO1 ZINC000040458658 387847605 /nfs/dbraw/zinc/84/76/05/387847605.db2.gz UTBVMBYQZDEVFN-RKDXNWHRSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1O)N(C)C ZINC000448676639 387847686 /nfs/dbraw/zinc/84/76/86/387847686.db2.gz ISVDZJLBFLQTOB-GRYCIOLGSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CN(C)C ZINC000442821610 387848131 /nfs/dbraw/zinc/84/81/31/387848131.db2.gz NBJSWTAGFXAQQI-NSHDSACASA-N 0 3 241.379 0.737 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000424166856 387854281 /nfs/dbraw/zinc/85/42/81/387854281.db2.gz CWCBGSHZKTYSCF-JGVFFNPUSA-N 0 3 246.270 0.232 20 0 BCADHN CC(=O)Nc1ccc(CN[C@H]2CCOC2)cn1 ZINC000433058728 387858248 /nfs/dbraw/zinc/85/82/48/387858248.db2.gz RAKXQKUNVORFMO-NSHDSACASA-N 0 3 235.287 0.919 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@@H](N)C(C)C ZINC000157625232 387859020 /nfs/dbraw/zinc/85/90/20/387859020.db2.gz ZWIXNWIRAPJYFV-BDAKNGLRSA-N 0 3 202.298 0.247 20 0 BCADHN COCCCCNC(=O)CNC[C@H]1CCCO1 ZINC000151592566 387859666 /nfs/dbraw/zinc/85/96/66/387859666.db2.gz LTLMYHVRKMKJEA-LLVKDONJSA-N 0 3 244.335 0.298 20 0 BCADHN C[C@@H]1N(C(=O)[C@@H]2C[C@@H]2N)CCC12CCOCC2 ZINC000424170291 387861755 /nfs/dbraw/zinc/86/17/55/387861755.db2.gz KVDIGDWKJBLIRR-AXFHLTTASA-N 0 3 238.331 0.751 20 0 BCADHN CCCC[C@H](N)C(=O)NCc1nnc(C)n1C ZINC000393194989 387864744 /nfs/dbraw/zinc/86/47/44/387864744.db2.gz YVEKWDJXYCHXDA-VIFPVBQESA-N 0 3 239.323 0.257 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)[C@H]1CCCCN1 ZINC000157695915 387865046 /nfs/dbraw/zinc/86/50/46/387865046.db2.gz HNXAGHTWEXVDGY-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CC[C@H](O)CC(=O)NCCCN(C)CCOC ZINC000448688376 387865616 /nfs/dbraw/zinc/86/56/16/387865616.db2.gz BQQVCJLASAYJRT-NSHDSACASA-N 0 3 246.351 0.232 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)CC[C@H](C)O ZINC000157701681 387865865 /nfs/dbraw/zinc/86/58/65/387865865.db2.gz NYZPSFCVWDYTAF-DTWKUNHWSA-N 0 3 202.298 0.199 20 0 BCADHN CN(CCCn1ccnc1)C(=O)[C@@H]1C[C@@H]1N ZINC000424173773 387872617 /nfs/dbraw/zinc/87/26/17/387872617.db2.gz OPFAKMRTNDDCHR-ZJUUUORDSA-N 0 3 222.292 0.079 20 0 BCADHN CC(C)[C@H](O)CN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000432787433 387819335 /nfs/dbraw/zinc/81/93/35/387819335.db2.gz SHBLYKREKUJLKB-GMTAPVOTSA-N 0 3 228.336 0.589 20 0 BCADHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)NC1CC1 ZINC000236390014 387890849 /nfs/dbraw/zinc/89/08/49/387890849.db2.gz WIGODVJUDWUJCT-ZYHUDNBSSA-N 0 3 224.304 0.422 20 0 BCADHN COC[C@H](CCO)NCc1cnn(C(C)C)c1 ZINC000219112739 387891299 /nfs/dbraw/zinc/89/12/99/387891299.db2.gz VLBLDDAIRBVNSG-LBPRGKRZSA-N 0 3 241.335 0.951 20 0 BCADHN CCOC(=O)CC[C@H](C)NC(=O)[C@H](C)N ZINC000158068769 387891374 /nfs/dbraw/zinc/89/13/74/387891374.db2.gz UBOPACASHKPYNQ-YUMQZZPRSA-N 0 3 216.281 0.182 20 0 BCADHN CONC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000528283815 387891484 /nfs/dbraw/zinc/89/14/84/387891484.db2.gz FGPQXRCESRRZEP-SNVBAGLBSA-N 0 3 227.308 0.864 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCC[C@H](O)[C@@H]1C)N(C)C ZINC000452708918 387892981 /nfs/dbraw/zinc/89/29/81/387892981.db2.gz BJAYAEUKZZPLLV-SRVKXCTJSA-N 0 3 242.363 0.944 20 0 BCADHN O=S(=O)([N-][C@@H]1CC[NH2+]C1)c1ccccc1F ZINC000036284506 387898934 /nfs/dbraw/zinc/89/89/34/387898934.db2.gz LBPXPHZJKIFVSO-MRVPVSSYSA-N 0 3 244.291 0.466 20 0 BCADHN COC[C@@H](O)CCNCc1c[nH]nc1C ZINC000153782840 387895220 /nfs/dbraw/zinc/89/52/20/387895220.db2.gz ULMYMXGDGLUAED-JTQLQIEISA-N 0 3 213.281 0.205 20 0 BCADHN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)[C@@H]1C[C@@H]1N ZINC000424182693 387898284 /nfs/dbraw/zinc/89/82/84/387898284.db2.gz UNYLYZWNERLOSU-MAUMQABQSA-N 0 3 228.292 0.038 20 0 BCADHN CC(C)OC[C@H](CO)N(C)CCn1ccnc1 ZINC000433165994 387875445 /nfs/dbraw/zinc/87/54/45/387875445.db2.gz DQGPZZITQMIKOG-LBPRGKRZSA-N 0 3 241.335 0.601 20 0 BCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(F)F ZINC000236136427 387875784 /nfs/dbraw/zinc/87/57/84/387875784.db2.gz GERREYOTYQWLEO-HTQZYQBOSA-N 0 3 234.246 0.231 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@H]1CCNCC1(F)F ZINC000424175108 387879190 /nfs/dbraw/zinc/87/91/90/387879190.db2.gz NFCAADVXTULSNW-BDAKNGLRSA-N 0 3 249.305 0.475 20 0 BCADHN Cn1[nH]cnc1=NC[C@@H]1CCN1C1CCCC1 ZINC000528213332 387880559 /nfs/dbraw/zinc/88/05/59/387880559.db2.gz XUXSTSNPBGGEIO-NSHDSACASA-N 0 3 235.335 0.666 20 0 BCADHN CS[C@@H](CO)[C@@H](C)NCc1cncn1C ZINC000152417301 387883077 /nfs/dbraw/zinc/88/30/77/387883077.db2.gz PRKDMGHINCOLIM-SCZZXKLOSA-N 0 3 229.349 0.622 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C(C)(C)C ZINC000152497503 387885300 /nfs/dbraw/zinc/88/53/00/387885300.db2.gz JFDAAWGXLNCZOB-NSHDSACASA-N 0 3 216.325 0.461 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H](F)[C@@H](F)C1)N(C)C ZINC000452688791 387887802 /nfs/dbraw/zinc/88/78/02/387887802.db2.gz UCTNCRPTJCQDGQ-YIZRAAEISA-N 0 3 220.263 0.845 20 0 BCADHN Cc1nccn1CCCN(C)C(=O)[C@@H]1C[C@@H]1N ZINC000424178563 387888525 /nfs/dbraw/zinc/88/85/25/387888525.db2.gz WYOVBVLISIBFKW-MNOVXSKESA-N 0 3 236.319 0.387 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@H]1NC1CC(C)(F)C1 ZINC000423142328 387918570 /nfs/dbraw/zinc/91/85/70/387918570.db2.gz ABAZXMHWEMJMRG-OWNCLDLKSA-N 0 3 244.310 0.760 20 0 BCADHN CNC(=O)CN(C)CCC[C@H]1CCOC1 ZINC000645775855 387899248 /nfs/dbraw/zinc/89/92/48/387899248.db2.gz ZKLBPWFRGGWNDX-JTQLQIEISA-N 0 3 214.309 0.481 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC[C@H](O)C(C)C ZINC000236772538 387904168 /nfs/dbraw/zinc/90/41/68/387904168.db2.gz FLLIAKCZXGEDSE-UWVGGRQHSA-N 0 3 216.325 0.493 20 0 BCADHN C[C@H](N)C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000161939637 387904580 /nfs/dbraw/zinc/90/45/80/387904580.db2.gz DDAYPEDCOXXXAB-ATZCPNFKSA-N 0 3 214.309 0.391 20 0 BCADHN CC(C)(N)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000236782200 387905587 /nfs/dbraw/zinc/90/55/87/387905587.db2.gz OBNMMOFEZKNSNH-ZJUUUORDSA-N 0 3 242.319 0.130 20 0 BCADHN Cc1nccc(NC(=O)N[C@@H](C)CN(C)C)n1 ZINC000437001262 387909782 /nfs/dbraw/zinc/90/97/82/387909782.db2.gz CFDIEONJQHSGCB-QMMMGPOBSA-N 0 3 237.307 0.857 20 0 BCADHN CCOCC[C@H](O)CN1C[C@@H](OC)[C@H](OC)C1 ZINC000444690275 387910619 /nfs/dbraw/zinc/91/06/19/387910619.db2.gz JKHYNQFWEQFHRN-QJPTWQEYSA-N 0 3 247.335 0.120 20 0 BCADHN O=C1NCCC[C@@H]1N1CCC(CCO)CC1 ZINC000532958401 387913060 /nfs/dbraw/zinc/91/30/60/387913060.db2.gz FNEFSXJDRJWNJJ-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN COC(=O)[C@H](C)CN(C(=O)[C@@H]1C[C@@H]1N)C1CC1 ZINC000424190083 387913425 /nfs/dbraw/zinc/91/34/25/387913425.db2.gz LTZLQMZJDBYNRS-QNSHHTMESA-N 0 3 240.303 0.134 20 0 BCADHN COC(=O)[C@@H](C)CN(C(=O)[C@@H]1C[C@@H]1N)C1CC1 ZINC000424190084 387913745 /nfs/dbraw/zinc/91/37/45/387913745.db2.gz LTZLQMZJDBYNRS-SFGNSQDASA-N 0 3 240.303 0.134 20 0 BCADHN CCN(C[C@H]1CCOC1)C(=O)[C@H]1NCC1(C)C ZINC000645790827 387914575 /nfs/dbraw/zinc/91/45/75/387914575.db2.gz VIVHAAJAALDKBF-GHMZBOCLSA-N 0 3 240.347 0.869 20 0 BCADHN Cc1c[nH]nc1CNC[C@@H]1CCN(C)C(=O)C1 ZINC000424191328 387914677 /nfs/dbraw/zinc/91/46/77/387914677.db2.gz QRSTWMBEXMQUDM-SNVBAGLBSA-N 0 3 236.319 0.676 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCOCC(C)C ZINC000514671144 387916699 /nfs/dbraw/zinc/91/66/99/387916699.db2.gz UFLIDBNYNDIGIR-GHMZBOCLSA-N 0 3 217.309 0.662 20 0 BCADHN C[C@@H](N)C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000161941544 387917450 /nfs/dbraw/zinc/91/74/50/387917450.db2.gz DDAYPEDCOXXXAB-YWVKMMECSA-N 0 3 214.309 0.391 20 0 BCADHN NC1(C(=O)N[C@@H]2CCc3n[nH]cc3C2)CCCC1 ZINC000237945314 387929703 /nfs/dbraw/zinc/92/97/03/387929703.db2.gz HFAAUMVEEWOHMV-SNVBAGLBSA-N 0 3 248.330 0.655 20 0 BCADHN CCN1C[C@@H](N[C@@H](C)c2cnccc2N)CC1=O ZINC000423154920 387934700 /nfs/dbraw/zinc/93/47/00/387934700.db2.gz PPVZSKFQNDOZGJ-UWVGGRQHSA-N 0 3 248.330 0.766 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000424218865 387936166 /nfs/dbraw/zinc/93/61/66/387936166.db2.gz XMGQYKDECPFIMN-ZJUUUORDSA-N 0 3 237.307 0.179 20 0 BCADHN COCCO[C@H]1CCN(C[C@@H](O)CSC)C1 ZINC000444749979 387919945 /nfs/dbraw/zinc/91/99/45/387919945.db2.gz WOGOJUQQBHPDGR-MNOVXSKESA-N 0 3 249.376 0.448 20 0 BCADHN COCCN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000444758951 387921481 /nfs/dbraw/zinc/92/14/81/387921481.db2.gz HNDZXJGPEKCCFY-NSHDSACASA-N 0 3 230.352 0.410 20 0 BCADHN CCC[C@@]1(CO)CCCN1CC(=O)N1CCC1 ZINC000444770078 387925203 /nfs/dbraw/zinc/92/52/03/387925203.db2.gz YFCMAGVCCYOIKW-ZDUSSCGKSA-N 0 3 240.347 0.846 20 0 BCADHN C[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000424203618 387928365 /nfs/dbraw/zinc/92/83/65/387928365.db2.gz UKAJFNDYWWUGRM-WOPDTQHZSA-N 0 3 240.347 0.917 20 0 BCADHN Cc1nccc(CNC(=O)[C@@H]2NCC2(C)C)n1 ZINC000645648151 387954225 /nfs/dbraw/zinc/95/42/25/387954225.db2.gz LVBQHGUUPSOOMN-JTQLQIEISA-N 0 3 234.303 0.399 20 0 BCADHN Cn1ccc(C(=O)NCCN2CCCC2)cc1=O ZINC000044604086 387939843 /nfs/dbraw/zinc/93/98/43/387939843.db2.gz NORXSONKSZGCKO-UHFFFAOYSA-N 0 3 249.314 0.211 20 0 BCADHN COC(=O)C[C@H]1CCCN1C[C@H]1COCCO1 ZINC000450599226 387940037 /nfs/dbraw/zinc/94/00/37/387940037.db2.gz SGSDJNFNHSDMFS-MNOVXSKESA-N 0 3 243.303 0.429 20 0 BCADHN CC[C@@H]1[C@H](CO)CCN1C(=O)CN(CC)CC ZINC000452938391 387941052 /nfs/dbraw/zinc/94/10/52/387941052.db2.gz FLVYSRLQCJCRBM-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN CCNC(=O)CC(=O)Nc1cc(C)cc(CN)c1 ZINC000424240588 387941953 /nfs/dbraw/zinc/94/19/53/387941953.db2.gz MXOWKGDUHFPYRJ-UHFFFAOYSA-N 0 3 249.314 0.918 20 0 BCADHN CCN(CC)C(=O)CN[C@@H](COC)C1CC1 ZINC000158266940 387943525 /nfs/dbraw/zinc/94/35/25/387943525.db2.gz KSGMFHMNNKFPQZ-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN Cc1cc(CN)cc(NC(=O)CC(=O)N(C)C)c1 ZINC000424250797 387944813 /nfs/dbraw/zinc/94/48/13/387944813.db2.gz XMBOYGJUAKTVJF-UHFFFAOYSA-N 0 3 249.314 0.871 20 0 BCADHN COC(=O)CCN1C[C@@H](O)CC[C@H]1C ZINC000399328847 387945375 /nfs/dbraw/zinc/94/53/75/387945375.db2.gz XSJQVHLTHGYQAD-BDAKNGLRSA-N 0 3 201.266 0.395 20 0 BCADHN CCNC(=O)CN[C@@H]1C[C@@H](OCC)[C@@H]1SC ZINC000459470347 387947634 /nfs/dbraw/zinc/94/76/34/387947634.db2.gz RZRFYFUFRJUWKP-FXPVBKGRSA-N 0 3 246.376 0.621 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCCO3)C[C@@H]21 ZINC000452968883 387947834 /nfs/dbraw/zinc/94/78/34/387947834.db2.gz CGLMDQSKESYHNU-WOPDTQHZSA-N 0 3 238.331 0.718 20 0 BCADHN CC[C@](C)(CN[C@@H](C)C(=O)N(C)C)OC ZINC000322633939 387949214 /nfs/dbraw/zinc/94/92/14/387949214.db2.gz RUVIYQZEZMFROI-GXSJLCMTSA-N 0 3 216.325 0.868 20 0 BCADHN CC(C)[C@@H](O)CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452979566 387951572 /nfs/dbraw/zinc/95/15/72/387951572.db2.gz ULDAXENYLFLUJH-TUAOUCFPSA-N 0 3 240.347 0.556 20 0 BCADHN CCc1nc(CN[C@H](CC)COC)n[nH]1 ZINC000392357046 387958050 /nfs/dbraw/zinc/95/80/50/387958050.db2.gz UIUACGWYNSZTOV-MRVPVSSYSA-N 0 3 212.297 0.882 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000227380583 387958232 /nfs/dbraw/zinc/95/82/32/387958232.db2.gz FRKBAYGIIANDTK-QWHCGFSZSA-N 0 3 248.326 0.634 20 0 BCADHN CCNC(=O)CN[C@H](C)CCn1cccn1 ZINC000158573293 387958289 /nfs/dbraw/zinc/95/82/89/387958289.db2.gz CAHBZGWVZWCAPI-SNVBAGLBSA-N 0 3 224.308 0.387 20 0 BCADHN CC[C@H](Cn1cncn1)NCc1cnn(C)c1C ZINC000438837241 387958757 /nfs/dbraw/zinc/95/87/57/387958757.db2.gz BZSKKSIHFSVCBY-GFCCVEGCSA-N 0 3 248.334 0.888 20 0 BCADHN O[C@@H](CN1CC[C@H]1C1CC1)CN1CCOCC1 ZINC000453006595 387959312 /nfs/dbraw/zinc/95/93/12/387959312.db2.gz CHDINQOORAWVPH-OLZOCXBDSA-N 0 3 240.347 0.164 20 0 BCADHN CC[C@H](OC)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453022059 387963121 /nfs/dbraw/zinc/96/31/21/387963121.db2.gz CHLNGQNKGABEBG-AXFHLTTASA-N 0 3 226.320 0.574 20 0 BCADHN OCCN(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245585870 387963142 /nfs/dbraw/zinc/96/31/42/387963142.db2.gz DVZMCXYFFPZITG-QWRGUYRKSA-N 0 3 231.361 0.965 20 0 BCADHN C[C@@]1(C(=O)NCCN2CCCC2)CCCO1 ZINC000445759299 387963411 /nfs/dbraw/zinc/96/34/11/387963411.db2.gz SGWZUWHQHXXONV-LBPRGKRZSA-N 0 3 226.320 0.768 20 0 BCADHN CC[C@H](CN1CCN(C[C@@H](C)O)C[C@H]1C)OC ZINC000419264417 387966641 /nfs/dbraw/zinc/96/66/41/387966641.db2.gz DPZMIRHASCLTTG-JHJVBQTASA-N 0 3 244.379 0.798 20 0 BCADHN C[C@@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)n1cccn1 ZINC000453032155 387966998 /nfs/dbraw/zinc/96/69/98/387966998.db2.gz JDTJNGXFZBXWAZ-SDDRHHMPSA-N 0 3 248.330 0.607 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453035688 387967047 /nfs/dbraw/zinc/96/70/47/387967047.db2.gz MPZPAJONWRXPOQ-NWDGAFQWSA-N 0 3 239.363 0.491 20 0 BCADHN C[C@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)n1cccn1 ZINC000453032146 387967356 /nfs/dbraw/zinc/96/73/56/387967356.db2.gz JDTJNGXFZBXWAZ-GRYCIOLGSA-N 0 3 248.330 0.607 20 0 BCADHN C[C@H](O)CCN(CC(N)=O)C(C)(C)C ZINC000438989949 387971539 /nfs/dbraw/zinc/97/15/39/387971539.db2.gz GXFQNGFCODFIQG-QMMMGPOBSA-N 0 3 202.298 0.343 20 0 BCADHN COC(=O)C[C@@H]1CSCCN1CC[C@H](C)O ZINC000438989810 387971665 /nfs/dbraw/zinc/97/16/65/387971665.db2.gz VQMXZUJPFDLXEF-VHSXEESVSA-N 0 3 247.360 0.738 20 0 BCADHN CCC1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423171093 387957459 /nfs/dbraw/zinc/95/74/59/387957459.db2.gz NLMKABSIAMDDNK-UHFFFAOYSA-N 0 3 241.335 0.052 20 0 BCADHN C=Cn1cc(CNCCC[S@](C)=O)cn1 ZINC000194355674 387980626 /nfs/dbraw/zinc/98/06/26/387980626.db2.gz OOGYWCFCWBHEPW-HNNXBMFYSA-N 0 3 227.333 0.842 20 0 BCADHN CN(C)[C@H]1CCCN([C@H]2CCCCNC2=O)C1 ZINC000245697973 387972912 /nfs/dbraw/zinc/97/29/12/387972912.db2.gz XEDZNCALXIBXPK-RYUDHWBXSA-N 0 3 239.363 0.681 20 0 BCADHN Cc1n[nH]cc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000080045691 387973787 /nfs/dbraw/zinc/97/37/87/387973787.db2.gz IDKDHLKUMRQQMY-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN CCOC[C@@H](O)CN(C)C[C@H]1CCCO1 ZINC000250466070 135054931 /nfs/dbraw/zinc/05/49/31/135054931.db2.gz BITLWVBNBVFCOH-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H](O)C1 ZINC000439264978 387987908 /nfs/dbraw/zinc/98/79/08/387987908.db2.gz IRZOSZZPZPFHCQ-QJPTWQEYSA-N 0 3 240.347 0.748 20 0 BCADHN CCOC[C@H](O)CN(C)CC1(CO)CC1 ZINC000446066144 387990359 /nfs/dbraw/zinc/99/03/59/387990359.db2.gz INWXFGFOFQRJMU-SNVBAGLBSA-N 0 3 217.309 0.088 20 0 BCADHN COC[C@@H](C)CC(=O)NCCN(C)C1CC1 ZINC000445998598 387983814 /nfs/dbraw/zinc/98/38/14/387983814.db2.gz LPZAPQCXPCCIIV-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN C(C[C@@H]1CCOC1)CN1CCc2n[nH]nc2C1 ZINC000645885799 387984276 /nfs/dbraw/zinc/98/42/76/387984276.db2.gz GQKBLQDEZQTFPQ-SNVBAGLBSA-N 0 3 236.319 0.980 20 0 BCADHN CC1(CCS(=O)(=O)N[C@@H]2CCCNC2)CC1 ZINC000420408808 387999050 /nfs/dbraw/zinc/99/90/50/387999050.db2.gz WXIAKKUTXQRBFL-SNVBAGLBSA-N 0 3 246.376 0.848 20 0 BCADHN COC1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000446206791 388006673 /nfs/dbraw/zinc/00/66/73/388006673.db2.gz QSFXGQFZCZVGBZ-WCBMZHEXSA-N 0 3 230.283 0.324 20 0 BCADHN 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O=S1(=O)CCC[C@@H](NC[C@H]2CCCCO2)C1 ZINC000070650792 388161473 /nfs/dbraw/zinc/16/14/73/388161473.db2.gz DSPOIMHXIJSUTE-GHMZBOCLSA-N 0 3 247.360 0.722 20 0 BCADHN CCc1nocc1CN1CC[C@@H](CC(N)=O)C1 ZINC000646203801 388163892 /nfs/dbraw/zinc/16/38/92/388163892.db2.gz GZUKLLUWSPUIBA-VIFPVBQESA-N 0 3 237.303 0.934 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)CCC1CC1 ZINC000646209892 388164775 /nfs/dbraw/zinc/16/47/75/388164775.db2.gz SQPNIEKEYQTIGZ-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN Cc1cc(C(=O)N[C@H](CO)CN(C)C)co1 ZINC000646210278 388165085 /nfs/dbraw/zinc/16/50/85/388165085.db2.gz YAJCRQYXYGCDSJ-JTQLQIEISA-N 0 3 226.276 0.240 20 0 BCADHN COCCC(C)(C)C(=O)N[C@H](CO)CN(C)C ZINC000646210777 388165346 /nfs/dbraw/zinc/16/53/46/388165346.db2.gz HHDKBQBCBBFYSG-JTQLQIEISA-N 0 3 246.351 0.088 20 0 BCADHN Cn1ccnc1CNC(=O)[C@H]1NCC1(C)C ZINC000645928853 388167475 /nfs/dbraw/zinc/16/74/75/388167475.db2.gz OGFRTIJMOFYBED-SECBINFHSA-N 0 3 222.292 0.034 20 0 BCADHN O=C(CCC1CC1)N[C@@H](CO)CN1CCCC1 ZINC000646221189 388167764 /nfs/dbraw/zinc/16/77/64/388167764.db2.gz AVFYWJSDFAGEGU-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000646252058 388170447 /nfs/dbraw/zinc/17/04/47/388170447.db2.gz QQDKNOVBWBUBQG-MWLCHTKSSA-N 0 3 248.330 0.901 20 0 BCADHN C[C@H](N[C@@H]1CSC[C@@H]1C)C(=O)NCCF ZINC000449306478 388170611 /nfs/dbraw/zinc/17/06/11/388170611.db2.gz LPEZPEVGVIYOOW-XHNCKOQMSA-N 0 3 234.340 0.802 20 0 BCADHN CCN(CC(=O)N1CCc2nc[nH]c2C1)C1CC1 ZINC000646261403 388172915 /nfs/dbraw/zinc/17/29/15/388172915.db2.gz FULLKZNBHYWEIS-UHFFFAOYSA-N 0 3 248.330 0.779 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H]2NCC2(C)C)CCO1 ZINC000646296156 388177803 /nfs/dbraw/zinc/17/78/03/388177803.db2.gz AVAYCCZKEDNOKE-GHMZBOCLSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@H]1CN(C(=O)CCCCC(N)=O)[C@@H](C)CN1 ZINC000646298680 388178990 /nfs/dbraw/zinc/17/89/90/388178990.db2.gz AAEMWYYDQPBCQC-UWVGGRQHSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@@H]1CN(Cc2cnnn2C)CCN(C2CC2)C1 ZINC000449350066 388179202 /nfs/dbraw/zinc/17/92/02/388179202.db2.gz YIKQQVHWTWTYMM-LLVKDONJSA-N 0 3 249.362 0.731 20 0 BCADHN CCOC(=O)CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456172817 388183056 /nfs/dbraw/zinc/18/30/56/388183056.db2.gz SJPUPQQLFQAHFG-VHSXEESVSA-N 0 3 240.303 0.102 20 0 BCADHN CC(C)[C@H](O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456167295 388183270 /nfs/dbraw/zinc/18/32/70/388183270.db2.gz MTROYVWWDBTVRZ-AXFHLTTASA-N 0 3 226.320 0.166 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCN(CCO)[C@@H](C)C1 ZINC000488516946 388184251 /nfs/dbraw/zinc/18/42/51/388184251.db2.gz QVAGWKJCBHIDKT-WOPDTQHZSA-N 0 3 212.337 0.641 20 0 BCADHN C[C@@H](O)CN1CCN(C[C@@H]2C[C@@H]2C)CC1 ZINC000488537841 388185498 /nfs/dbraw/zinc/18/54/98/388185498.db2.gz BNGQJPUDRMJJDJ-TUAOUCFPSA-N 0 3 212.337 0.641 20 0 BCADHN CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](C)O ZINC000456217094 388185575 /nfs/dbraw/zinc/18/55/75/388185575.db2.gz LUZIYOCUKWUHMV-OUAUKWLOSA-N 0 3 230.352 0.848 20 0 BCADHN C[C@H]1C[C@@H]1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454424050 388117591 /nfs/dbraw/zinc/11/75/91/388117591.db2.gz DSJZJPXBIQZLAL-XWLWVQCSSA-N 0 3 223.320 0.740 20 0 BCADHN COCCN(C)CCNC(=O)N1CC[C@@H](F)C1 ZINC000454448169 388118323 /nfs/dbraw/zinc/11/83/23/388118323.db2.gz WMIKVPOHXQGTAQ-SNVBAGLBSA-N 0 3 247.314 0.318 20 0 BCADHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CO ZINC000448933076 388121587 /nfs/dbraw/zinc/12/15/87/388121587.db2.gz NVFNMDMOZDOIKZ-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN CN(C)C[C@@]1(O)CCCN(C(=O)CC2CC2)C1 ZINC000646022354 388126217 /nfs/dbraw/zinc/12/62/17/388126217.db2.gz VRKRHNUDOIDFNX-ZDUSSCGKSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H](CNC(=O)NC[C@]1(C)CCCO1)N(C)C ZINC000454636429 388126317 /nfs/dbraw/zinc/12/63/17/388126317.db2.gz BOCASISYFRDTRN-JQWIXIFHSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@H](CNC(=O)NC[C@@]1(C)CCCO1)N(C)C ZINC000454636428 388126665 /nfs/dbraw/zinc/12/66/65/388126665.db2.gz BOCASISYFRDTRN-CMPLNLGQSA-N 0 3 243.351 0.805 20 0 BCADHN CCOCCN[C@@H](C)CS(=O)(=O)CC ZINC000162226096 388128210 /nfs/dbraw/zinc/12/82/10/388128210.db2.gz NRVYFEHPRUIPMA-VIFPVBQESA-N 0 3 223.338 0.436 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CC)[C@H](C)O ZINC000456222622 388186155 /nfs/dbraw/zinc/18/61/55/388186155.db2.gz OKARSEDTTGGOAU-VHSXEESVSA-N 0 3 216.325 0.604 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCOCC1CCC1 ZINC000646044676 388130895 /nfs/dbraw/zinc/13/08/95/388130895.db2.gz VPSMNJPYDVIKGH-VXGBXAGGSA-N 0 3 229.320 0.807 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC000249609646 388131321 /nfs/dbraw/zinc/13/13/21/388131321.db2.gz CMCMHQZMMOBIAK-GXSJLCMTSA-N 0 3 241.335 0.112 20 0 BCADHN COC[C@H]1CCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000646052868 388133527 /nfs/dbraw/zinc/13/35/27/388133527.db2.gz QOKZTATYEFOKNN-VHSXEESVSA-N 0 3 226.320 0.479 20 0 BCADHN CO[C@H]1CC[C@@H](NC(=O)NC[C@H](C)N(C)C)C1 ZINC000454843937 388136377 /nfs/dbraw/zinc/13/63/77/388136377.db2.gz KBCALIQXQNDPEN-AXFHLTTASA-N 0 3 243.351 0.803 20 0 BCADHN CC(C)[C@](C)(O)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000162254761 388136544 /nfs/dbraw/zinc/13/65/44/388136544.db2.gz NCTCZAUMOFENCR-GHMZBOCLSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@@H](O)CC(C)(C)CNC(=O)[C@@H]1NCC1(C)C ZINC000646072419 388137141 /nfs/dbraw/zinc/13/71/41/388137141.db2.gz VXQZVWIPXBSSSA-ZJUUUORDSA-N 0 3 242.363 0.898 20 0 BCADHN CC(C)[C@H](O)CN[C@H](C)CS(C)(=O)=O ZINC000162263954 388138641 /nfs/dbraw/zinc/13/86/41/388138641.db2.gz GBJIDIKFKKWLOM-RKDXNWHRSA-N 0 3 223.338 0.026 20 0 BCADHN CCCN[C@@H](C)C(=O)NCC(=O)NC(C)(C)C ZINC000449068989 388139405 /nfs/dbraw/zinc/13/94/05/388139405.db2.gz DIIVETLTVLOSJF-VIFPVBQESA-N 0 3 243.351 0.405 20 0 BCADHN C[C@@H]1CC2(CN1[C@@H]1CCNC1=O)CCOCC2 ZINC000646100209 388143505 /nfs/dbraw/zinc/14/35/05/388143505.db2.gz QOHLIIQJKDTGHA-GHMZBOCLSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000449117458 388144418 /nfs/dbraw/zinc/14/44/18/388144418.db2.gz UPHDAANRDIVGGQ-BBBLOLIVSA-N 0 3 225.336 0.336 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)[C@@H](C)NC1CC1 ZINC000449138023 388147455 /nfs/dbraw/zinc/14/74/55/388147455.db2.gz HBSCFRXKRDIASE-MWLCHTKSSA-N 0 3 228.336 0.650 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)[C@H](C)NC1CC1 ZINC000449149252 388149226 /nfs/dbraw/zinc/14/92/26/388149226.db2.gz MXSMFFZOHFUWDS-BDAKNGLRSA-N 0 3 242.319 0.442 20 0 BCADHN CCCN[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000449157314 388150612 /nfs/dbraw/zinc/15/06/12/388150612.db2.gz PZYKZSJPRUFUHS-DTWKUNHWSA-N 0 3 243.351 0.391 20 0 BCADHN CCCN[C@@H](C)C(=O)NCC(=O)NCC1CC1 ZINC000449173948 388152237 /nfs/dbraw/zinc/15/22/37/388152237.db2.gz OOUIXIYNIZEIRQ-VIFPVBQESA-N 0 3 241.335 0.017 20 0 BCADHN C[C@@H](N)C(=O)N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000646135938 388152690 /nfs/dbraw/zinc/15/26/90/388152690.db2.gz GGLRCRQHKKLZQT-RRKCRQDMSA-N 0 3 240.225 0.512 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@H](O)C1CCC1 ZINC000449179725 388154038 /nfs/dbraw/zinc/15/40/38/388154038.db2.gz WPOGYEYYMCCUBT-NWDGAFQWSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000449183844 388154097 /nfs/dbraw/zinc/15/40/97/388154097.db2.gz LLBTVXBPWJADNR-JLLWLGSASA-N 0 3 237.347 0.480 20 0 BCADHN COCC(COC)NC(=O)[C@@H](C(C)C)N(C)C ZINC000456230581 388187359 /nfs/dbraw/zinc/18/73/59/388187359.db2.gz NVWKNPPYJGJRNP-LLVKDONJSA-N 0 3 246.351 0.350 20 0 BCADHN CC(C)CNC(=O)CN[C@H](C)[C@H](C)CO ZINC000164913100 388248863 /nfs/dbraw/zinc/24/88/63/388248863.db2.gz GHPKSRLLXGFYPP-NXEZZACHSA-N 0 3 216.325 0.365 20 0 BCADHN CCCCNC(=O)CN[C@H](C)[C@@H](C)CO ZINC000164899743 388249014 /nfs/dbraw/zinc/24/90/14/388249014.db2.gz MSYISICCQSIERL-VHSXEESVSA-N 0 3 216.325 0.509 20 0 BCADHN C[C@H](CO)[C@H](C)NCC(=O)NC(C)(C)C ZINC000164906864 388249090 /nfs/dbraw/zinc/24/90/90/388249090.db2.gz QBYXMCZDBIIMKR-BDAKNGLRSA-N 0 3 216.325 0.508 20 0 BCADHN Cn1cccc1CNC[C@@]1(O)CCSC1 ZINC000165132868 388251057 /nfs/dbraw/zinc/25/10/57/388251057.db2.gz SHFVUKQNDOMSQS-NSHDSACASA-N 0 3 226.345 0.983 20 0 BCADHN COC[C@](C)(CCO)NCc1cc[nH]c1 ZINC000165692391 388253196 /nfs/dbraw/zinc/25/31/96/388253196.db2.gz NSFIRIDTYMTZOT-NSHDSACASA-N 0 3 212.293 0.892 20 0 BCADHN COc1cccc(C[C@@H](C)NC(=O)CN)c1 ZINC000490773389 388253461 /nfs/dbraw/zinc/25/34/61/388253461.db2.gz SMJVHQJNKFVSBB-SECBINFHSA-N 0 3 222.288 0.701 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(Cc2cnn(C)c2)C1 ZINC000166068220 388253870 /nfs/dbraw/zinc/25/38/70/388253870.db2.gz QKAZZZWZQSKSQB-MWLCHTKSSA-N 0 3 209.293 0.623 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000490795846 388255233 /nfs/dbraw/zinc/25/52/33/388255233.db2.gz KYOKPJHLZBNZSN-VHSXEESVSA-N 0 3 241.335 0.095 20 0 BCADHN COC[C@H](Cc1ccccc1)NC(=O)CN ZINC000490822254 388255556 /nfs/dbraw/zinc/25/55/56/388255556.db2.gz INOTZVWFLTUQIA-NSHDSACASA-N 0 3 222.288 0.319 20 0 BCADHN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)CN ZINC000490843354 388256792 /nfs/dbraw/zinc/25/67/92/388256792.db2.gz AXYHKCPIOZUARI-AAEUAGOBSA-N 0 3 234.299 0.800 20 0 BCADHN COC(=O)[C@@H](CNC(=O)C(C)(C)N)CC(C)C ZINC000490876171 388258341 /nfs/dbraw/zinc/25/83/41/388258341.db2.gz PFEKIAJTZFLMKL-SECBINFHSA-N 0 3 244.335 0.675 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](C)O ZINC000456246817 388188817 /nfs/dbraw/zinc/18/88/17/388188817.db2.gz LUZIYOCUKWUHMV-GMTAPVOTSA-N 0 3 230.352 0.848 20 0 BCADHN CSC[C@H](O)CN1CCN(C)C[C@@H]1C ZINC000488598531 388190254 /nfs/dbraw/zinc/19/02/54/388190254.db2.gz RXETUCBIQIOCJE-VHSXEESVSA-N 0 3 218.366 0.346 20 0 BCADHN CCN(CC)CC(=O)NC(COC)COC ZINC000456268403 388190907 /nfs/dbraw/zinc/19/09/07/388190907.db2.gz WRIZNQWHGBRZIW-UHFFFAOYSA-N 0 3 232.324 0.106 20 0 BCADHN COCCOCCN1CCC(C)(O)CC1 ZINC000087781470 256531363 /nfs/dbraw/zinc/53/13/63/256531363.db2.gz DPEDUSXAUYWRLJ-UHFFFAOYSA-N 0 3 217.309 0.496 20 0 BCADHN C[C@H]1[C@H](CO)CCN1CCN1CCCC1=O ZINC000488790888 388195991 /nfs/dbraw/zinc/19/59/91/388195991.db2.gz XXOXJWOXEOUGDF-QWRGUYRKSA-N 0 3 226.320 0.312 20 0 BCADHN COc1nccnc1CNC[C@H](C)CCCO ZINC000449410366 388198130 /nfs/dbraw/zinc/19/81/30/388198130.db2.gz ZAQFSPQOEZAWEB-SNVBAGLBSA-N 0 3 239.319 0.983 20 0 BCADHN CCC[C@H](C(=O)NCCC1(CO)CC1)N(C)C ZINC000456439622 388201028 /nfs/dbraw/zinc/20/10/28/388201028.db2.gz SZWUAMZAIFCFQI-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](C[S@](C)=O)NCc1cccn1C ZINC000164287743 388201595 /nfs/dbraw/zinc/20/15/95/388201595.db2.gz LCYNYNVFJOMMIY-YMTOWFKASA-N 0 3 214.334 0.882 20 0 BCADHN CCCNS(=O)(=O)NCCCN1CCCC1 ZINC000489051891 388202513 /nfs/dbraw/zinc/20/25/13/388202513.db2.gz NMFXKGMLBMGAML-UHFFFAOYSA-N 0 3 249.380 0.306 20 0 BCADHN CNC(=O)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC000456502615 388205202 /nfs/dbraw/zinc/20/52/02/388205202.db2.gz JMENYHGOUMKOHT-GXSJLCMTSA-N 0 3 243.351 0.213 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1COCC1(C)C ZINC000456540185 388207527 /nfs/dbraw/zinc/20/75/27/388207527.db2.gz MBWQADVPOGSEFM-JTQLQIEISA-N 0 3 228.336 0.868 20 0 BCADHN CN(C)S(=O)(=O)CCCN(C)[C@H]1CC1(C)C ZINC000489433192 388214179 /nfs/dbraw/zinc/21/41/79/388214179.db2.gz UZKKUPDBOSSSMY-JTQLQIEISA-N 0 3 248.392 0.998 20 0 BCADHN CNS(=O)(=O)CCCN(C)[C@@H]1CC1(C)C ZINC000489440361 388215296 /nfs/dbraw/zinc/21/52/96/388215296.db2.gz BRMQGEANVPYEQL-SECBINFHSA-N 0 3 234.365 0.656 20 0 BCADHN C[C@@H](C[S@](C)=O)NCc1cc[nH]c1 ZINC000164316750 388217325 /nfs/dbraw/zinc/21/73/25/388217325.db2.gz JCHSECGGZXOFQD-ISVAXAHUSA-N 0 3 200.307 0.871 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1COC[C@H]1OCC ZINC000456796118 388222099 /nfs/dbraw/zinc/22/20/99/388222099.db2.gz QXGOHKZBRXNKTN-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN COc1nccnc1CN1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000449520129 388222851 /nfs/dbraw/zinc/22/28/51/388222851.db2.gz FHZMZJCOHPWRAY-CMPLNLGQSA-N 0 3 248.330 0.621 20 0 BCADHN CCN1C[C@@H](N[C@@H](C)CC(=O)N(C)C)CC1=O ZINC000449523137 388223542 /nfs/dbraw/zinc/22/35/42/388223542.db2.gz XSDCWHQXLFGYKM-UWVGGRQHSA-N 0 3 241.335 0.064 20 0 BCADHN CN(CCNS(C)(=O)=O)C1(C)CCCC1 ZINC000489838886 388225201 /nfs/dbraw/zinc/22/52/01/388225201.db2.gz IARQMSVVODWYFV-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN C[C@H](N)C(=O)N1CCOC[C@@H]1Cc1ccccc1 ZINC000489857926 388225977 /nfs/dbraw/zinc/22/59/77/388225977.db2.gz XWAMXGWWCOIEJN-AAEUAGOBSA-N 0 3 248.326 0.804 20 0 BCADHN CCC[C@H](N)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000489892516 388227261 /nfs/dbraw/zinc/22/72/61/388227261.db2.gz XEIFTPRVGFGPHB-ZETCQYMHSA-N 0 3 224.264 0.180 20 0 BCADHN COC(=O)[C@H](NC(=O)[C@@H](C)N)c1cccs1 ZINC000489955310 388229158 /nfs/dbraw/zinc/22/91/58/388229158.db2.gz MFUPPWSINQSNRC-HTRCEHHLSA-N 0 3 242.300 0.426 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H](N)CC(F)F)CCN1 ZINC000646327663 388229943 /nfs/dbraw/zinc/22/99/43/388229943.db2.gz NGUXSESBJGFPIT-RKDXNWHRSA-N 0 3 249.305 0.425 20 0 BCADHN COCCN(CCC[C@@H](C)O)[C@@H]1CCOC1 ZINC000490037371 388230632 /nfs/dbraw/zinc/23/06/32/388230632.db2.gz GEFYQJUXLBUUEP-VXGBXAGGSA-N 0 3 231.336 0.885 20 0 BCADHN NCC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000490000712 388230688 /nfs/dbraw/zinc/23/06/88/388230688.db2.gz IPEAYFSAZUBUSB-UHFFFAOYSA-N 0 3 247.298 0.154 20 0 BCADHN COCCN(CCn1cccn1)[C@H]1CCOC1 ZINC000490035735 388231318 /nfs/dbraw/zinc/23/13/18/388231318.db2.gz PYKFKHGLVHPWHE-LBPRGKRZSA-N 0 3 239.319 0.620 20 0 BCADHN COCCN(C[C@H](C)OC)[C@@H]1CCOC1 ZINC000490046415 388232270 /nfs/dbraw/zinc/23/22/70/388232270.db2.gz UMPDVIHBYXDZKY-WDEREUQCSA-N 0 3 217.309 0.759 20 0 BCADHN COCCN(CCCC(=O)OC)[C@H]1CCOC1 ZINC000490059806 388232404 /nfs/dbraw/zinc/23/24/04/388232404.db2.gz WUIUSMHTJWTLHX-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN COCCOCCN(CCOC)[C@H]1CCOC1 ZINC000490073592 388233331 /nfs/dbraw/zinc/23/33/31/388233331.db2.gz QMNTVQJSMRMIOV-LBPRGKRZSA-N 0 3 247.335 0.387 20 0 BCADHN CC[C@H]1CN(CC)CCN1Cc1cn(C)nn1 ZINC000449564957 388233908 /nfs/dbraw/zinc/23/39/08/388233908.db2.gz FKUPGIIQLDYUQI-LBPRGKRZSA-N 0 3 237.351 0.731 20 0 BCADHN COCCN(CCCNC(C)=O)[C@@H]1CCOC1 ZINC000490079729 388234287 /nfs/dbraw/zinc/23/42/87/388234287.db2.gz LQIOPFPKTDLPQD-GFCCVEGCSA-N 0 3 244.335 0.250 20 0 BCADHN Cc1nc(SCCN(C)C)nc(N(C)C)n1 ZINC000490140541 388235407 /nfs/dbraw/zinc/23/54/07/388235407.db2.gz WLCBYOGOSBHUQO-UHFFFAOYSA-N 0 3 241.364 0.900 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCNC[C@](C)(F)C1 ZINC000449571382 388235786 /nfs/dbraw/zinc/23/57/86/388235786.db2.gz KDDUTXCFHGOMKD-UMNHJUIQSA-N 0 3 245.342 0.520 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](N)C(C)C ZINC000490206730 388236240 /nfs/dbraw/zinc/23/62/40/388236240.db2.gz PGNAZAIGCKXQBT-IVZWLZJFSA-N 0 3 243.351 0.389 20 0 BCADHN CC(C)[C@@H](C(=O)N1C[C@H](C)C[C@H](O)C1)N(C)C ZINC000457009193 388237109 /nfs/dbraw/zinc/23/71/09/388237109.db2.gz SHAHJQZOEKPPOZ-WOPDTQHZSA-N 0 3 242.363 0.802 20 0 BCADHN COC(=O)C1CCN([C@@H]2CCOC2)CC1 ZINC000070072903 388260044 /nfs/dbraw/zinc/26/00/44/388260044.db2.gz ZOTWDGNPJQNLDZ-SNVBAGLBSA-N 0 3 213.277 0.660 20 0 BCADHN Cc1ccc(C(N)=O)cc1NC(=O)[C@H](C)N ZINC000490419777 388238548 /nfs/dbraw/zinc/23/85/48/388238548.db2.gz IYVLQPJANIITJS-ZETCQYMHSA-N 0 3 221.260 0.380 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCCN1C1CC1 ZINC000490456458 388239356 /nfs/dbraw/zinc/23/93/56/388239356.db2.gz ZXYDIWSJCXTRNQ-LLVKDONJSA-N 0 3 225.336 0.291 20 0 BCADHN C[C@H]1CN(C(=O)c2coc(CN)c2)CCN1 ZINC000646332374 388239638 /nfs/dbraw/zinc/23/96/38/388239638.db2.gz NSSAYJKWFBWXKI-QMMMGPOBSA-N 0 3 223.276 0.172 20 0 BCADHN COC(=O)CCN1CC[C@H](O)[C@H](C)C1 ZINC000164633187 388241991 /nfs/dbraw/zinc/24/19/91/388241991.db2.gz AOZQHTHACKEUOD-BDAKNGLRSA-N 0 3 201.266 0.252 20 0 BCADHN C[C@@H](O)CN1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000459450071 388244336 /nfs/dbraw/zinc/24/43/36/388244336.db2.gz YBROCKCYEDNREJ-DDHJBXDOSA-N 0 3 229.320 0.636 20 0 BCADHN CC[C@H](C)N1CCN(Cc2cnnn2C)CC1 ZINC000449634771 388246950 /nfs/dbraw/zinc/24/69/50/388246950.db2.gz WPGYWEFDQFEPLL-NSHDSACASA-N 0 3 237.351 0.731 20 0 BCADHN O=C(CN1C[C@H]2CCC[C@@H]2C1)N1CCOCC1 ZINC000152661416 388283197 /nfs/dbraw/zinc/28/31/97/388283197.db2.gz AAMCIEPQIATCAG-VXGBXAGGSA-N 0 3 238.331 0.577 20 0 BCADHN OCCOCCN1CCSC[C@H]1C1CC1 ZINC000451649362 388287802 /nfs/dbraw/zinc/28/78/02/388287802.db2.gz RSIQAKXRLDSYRJ-NSHDSACASA-N 0 3 231.361 0.823 20 0 BCADHN CCC[C@@H](O)CN1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451665886 388288555 /nfs/dbraw/zinc/28/85/55/388288555.db2.gz QXVYJFAXDQBBLD-FRRDWIJNSA-N 0 3 244.379 0.534 20 0 BCADHN CO[C@@H]1CN(C[C@@H](O)CCC(C)C)C[C@H]1O ZINC000451754974 388294218 /nfs/dbraw/zinc/29/42/18/388294218.db2.gz DDDVZBGJYCEIDT-QJPTWQEYSA-N 0 3 231.336 0.475 20 0 BCADHN CO[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC000451761216 388294226 /nfs/dbraw/zinc/29/42/26/388294226.db2.gz NDJBVIYRXDQFKI-JHJVBQTASA-N 0 3 243.347 0.619 20 0 BCADHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@@H](CC)C(N)=O ZINC000451777913 388295615 /nfs/dbraw/zinc/29/56/15/388295615.db2.gz XATCVDQWHCTBMR-UTLUCORTSA-N 0 3 242.319 0.572 20 0 BCADHN C/C=C/C=C\C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000491564453 388304067 /nfs/dbraw/zinc/30/40/67/388304067.db2.gz XCKYORAWDODQLA-WBOWPWJFSA-N 0 3 238.331 0.956 20 0 BCADHN COCCN(CCOC)C(=O)/C=C\CN(C)C ZINC000491686287 388310806 /nfs/dbraw/zinc/31/08/06/388310806.db2.gz QIEJODARDYUVEU-WAYWQWQTSA-N 0 3 244.335 0.226 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCCOCC1 ZINC000491846341 388324765 /nfs/dbraw/zinc/32/47/65/388324765.db2.gz PNACWEQZELHHFK-HYXAFXHYSA-N 0 3 212.293 0.353 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C/CN(C)C)CC[S@@]1=O ZINC000491854289 388324938 /nfs/dbraw/zinc/32/49/38/388324938.db2.gz XRDXPYGFTJXMPF-QJNXFATRSA-N 0 3 244.360 0.084 20 0 BCADHN CN(C)C/C=C\C(=O)N1CC(n2ccnc2)C1 ZINC000491861857 388325022 /nfs/dbraw/zinc/32/50/22/388325022.db2.gz AWMVRXXQJVPRJA-ARJAWSKDSA-N 0 3 234.303 0.384 20 0 BCADHN CN(C)C/C=C\C(=O)NCCCn1cccn1 ZINC000491880262 388325743 /nfs/dbraw/zinc/32/57/43/388325743.db2.gz CNQZNKXFCUERRD-UTCJRWHESA-N 0 3 236.319 0.507 20 0 BCADHN COc1ncccc1CNC(=O)/C=C\CN(C)C ZINC000491874762 388325805 /nfs/dbraw/zinc/32/58/05/388325805.db2.gz XBQFLKVQPWVGHO-ALCCZGGFSA-N 0 3 249.314 0.824 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)[C@H]1CCOC1 ZINC000491874338 388325872 /nfs/dbraw/zinc/32/58/72/388325872.db2.gz VWEFGECSSKPZOK-LWTINBJPSA-N 0 3 212.293 0.352 20 0 BCADHN CCCN(CC(=O)NC)C(=O)/C=C\CN(C)C ZINC000491873880 388325909 /nfs/dbraw/zinc/32/59/09/388325909.db2.gz VENGLZJRGZRVLS-SREVYHEPSA-N 0 3 241.335 0.089 20 0 BCADHN COC[C@@H]1CCCN(C(=O)/C=C/CN(C)C)C1 ZINC000491879621 388325926 /nfs/dbraw/zinc/32/59/26/388325926.db2.gz AVWYQFMNMSCIQU-HOSRBBHYSA-N 0 3 240.347 0.989 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)[C@@H]1CCOC1 ZINC000491874339 388325974 /nfs/dbraw/zinc/32/59/74/388325974.db2.gz VWEFGECSSKPZOK-UMCURTJPSA-N 0 3 212.293 0.352 20 0 BCADHN CN(C)C/C=C\C(=O)NN1CCCCC1=O ZINC000491885191 388326220 /nfs/dbraw/zinc/32/62/20/388326220.db2.gz NVUGLCQNKZLLMF-WAYWQWQTSA-N 0 3 225.292 0.148 20 0 BCADHN C[NH+](C)C/C=C\C(=O)[N-]O[C@@H]1CCCCO1 ZINC000491886364 388326527 /nfs/dbraw/zinc/32/65/27/388326527.db2.gz QXPIWQLAUHAVFL-ISALQUGTSA-N 0 3 228.292 0.679 20 0 BCADHN CCCN1CCN(C(=O)/C=C/CN(C)C)CC1 ZINC000491902083 388327005 /nfs/dbraw/zinc/32/70/05/388327005.db2.gz BBZWFKKAKHQNEA-AATRIKPKSA-N 0 3 239.363 0.658 20 0 BCADHN CN(C)C/C=C\C(=O)Nc1nncs1 ZINC000491901876 388327036 /nfs/dbraw/zinc/32/70/36/388327036.db2.gz APSVWAATQUACIH-ARJAWSKDSA-N 0 3 212.278 0.594 20 0 BCADHN C[C@H](NC(=O)/C=C\CN(C)C)c1cnn(C)c1 ZINC000491914414 388327806 /nfs/dbraw/zinc/32/78/06/388327806.db2.gz NHDYDJDOSLULDQ-OMMCCPJFSA-N 0 3 236.319 0.715 20 0 BCADHN CCC(O)(CC)CNC(=O)/C=C\CN(C)C ZINC000491932303 388328362 /nfs/dbraw/zinc/32/83/62/388328362.db2.gz CRRSMPANVFTDGC-FPLPWBNLSA-N 0 3 228.336 0.772 20 0 BCADHN COCCOC[C@@H](C)NC(=O)/C=C/CN(C)C ZINC000491947417 388329143 /nfs/dbraw/zinc/32/91/43/388329143.db2.gz YQOXJRULVOMHJK-MVIFTORASA-N 0 3 244.335 0.272 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CC[C@H](SC)C1 ZINC000451320422 388262757 /nfs/dbraw/zinc/26/27/57/388262757.db2.gz AIJTWGXHFFRCGP-GXSJLCMTSA-N 0 3 247.360 0.738 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000645920481 388263974 /nfs/dbraw/zinc/26/39/74/388263974.db2.gz IIDPSZPZAANBML-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000490988651 388264274 /nfs/dbraw/zinc/26/42/74/388264274.db2.gz MUEYICOLASWMEL-VWYCJHECSA-N 0 3 226.320 0.751 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000490988650 388264478 /nfs/dbraw/zinc/26/44/78/388264478.db2.gz MUEYICOLASWMEL-OUAUKWLOSA-N 0 3 226.320 0.751 20 0 BCADHN O=C(C[C@H]1CC[NH2+]C1)Nc1ccncc1[O-] ZINC000645952677 388267251 /nfs/dbraw/zinc/26/72/51/388267251.db2.gz BGHFIOZTANHFSF-MRVPVSSYSA-N 0 3 221.260 0.147 20 0 BCADHN CCC[C@H](N)C(=O)Nc1cc(C)cn(C)c1=O ZINC000491071715 388267768 /nfs/dbraw/zinc/26/77/68/388267768.db2.gz XXHCWOHMXVZYCR-VIFPVBQESA-N 0 3 237.303 0.760 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1C[C@H](O)C1(C)C ZINC000163381048 388272773 /nfs/dbraw/zinc/27/27/73/388272773.db2.gz ACELSKFUJKVTGC-VGMNWLOBSA-N 0 3 235.349 0.169 20 0 BCADHN CC1(CN2CC[C@@](O)(C(F)F)C2)COC1 ZINC000451434331 388273060 /nfs/dbraw/zinc/27/30/60/388273060.db2.gz PWUHFTXODKFGEC-JTQLQIEISA-N 0 3 221.247 0.725 20 0 BCADHN CC(C)[C@H](O)CN1CC[C@](O)(C(F)F)C1 ZINC000451440653 388274034 /nfs/dbraw/zinc/27/40/34/388274034.db2.gz XIOWUVZKWPEJLK-PSASIEDQSA-N 0 3 223.263 0.705 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@](O)(C(F)F)C1 ZINC000451440655 388274168 /nfs/dbraw/zinc/27/41/68/388274168.db2.gz XIOWUVZKWPEJLK-WCBMZHEXSA-N 0 3 223.263 0.705 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC[C@@H](O)[C@@H]1C ZINC000451454611 388274659 /nfs/dbraw/zinc/27/46/59/388274659.db2.gz KCJAKQOXWAFSTD-FRRDWIJNSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC[C@H](O)[C@@H]1C ZINC000451454610 388275115 /nfs/dbraw/zinc/27/51/15/388275115.db2.gz KCJAKQOXWAFSTD-AGIUHOORSA-N 0 3 242.363 0.552 20 0 BCADHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)N2CCC2)C1(C)C ZINC000451498754 388277909 /nfs/dbraw/zinc/27/79/09/388277909.db2.gz DYGWMAXHKLCHGB-YUSALJHKSA-N 0 3 240.347 0.868 20 0 BCADHN C[NH+](C)C/C=C\C(=O)NCc1ncccc1[O-] ZINC000492008735 388331373 /nfs/dbraw/zinc/33/13/73/388331373.db2.gz ZZKMRHDNMBFQCP-XQRVVYSFSA-N 0 3 235.287 0.521 20 0 BCADHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)NC2CC2)C1(C)C ZINC000451516851 388278309 /nfs/dbraw/zinc/27/83/09/388278309.db2.gz ZJNQKSGHJPOHRZ-KPXOXKRLSA-N 0 3 240.347 0.914 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@H]1CC(C)(C)OC1=O ZINC000492300329 388340807 /nfs/dbraw/zinc/34/08/07/388340807.db2.gz QOLQAQIWGQDIAO-UDIARPCQSA-N 0 3 240.303 0.315 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000492302917 388340857 /nfs/dbraw/zinc/34/08/57/388340857.db2.gz YCSSRNPAWIAOBB-JZUADKBYSA-N 0 3 240.347 0.724 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@H]1CC(C)(C)OC1=O ZINC000492300330 388340909 /nfs/dbraw/zinc/34/09/09/388340909.db2.gz QOLQAQIWGQDIAO-VUHVRTRXSA-N 0 3 240.303 0.315 20 0 BCADHN CCOCCN(C)C(=O)/C=C\CN(C)C ZINC000492339137 388341921 /nfs/dbraw/zinc/34/19/21/388341921.db2.gz BPSWPMXSIXGOEH-SREVYHEPSA-N 0 3 214.309 0.599 20 0 BCADHN CSC[C@H](O)CN1CCN(C)CC1(C)C ZINC000492372856 388342716 /nfs/dbraw/zinc/34/27/16/388342716.db2.gz DCJCJKRIMCTULQ-SNVBAGLBSA-N 0 3 232.393 0.736 20 0 BCADHN CN(C)C/C=C\C(=O)NC(C)(C)C(C)(C)O ZINC000492389877 388343316 /nfs/dbraw/zinc/34/33/16/388343316.db2.gz GSUNDTZWYBLZFM-FPLPWBNLSA-N 0 3 228.336 0.770 20 0 BCADHN COC1(C)CN(C(=O)/C=C/CN(C)C)C1 ZINC000492397073 388343433 /nfs/dbraw/zinc/34/34/33/388343433.db2.gz YKUIGXPXLCYVTB-AATRIKPKSA-N 0 3 212.293 0.352 20 0 BCADHN Cc1nnc(NC(=O)/C=C\CN(C)C)n1C ZINC000492418003 388343888 /nfs/dbraw/zinc/34/38/88/388343888.db2.gz BPTUAUREYALUQR-WAYWQWQTSA-N 0 3 223.280 0.180 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000302832354 388345181 /nfs/dbraw/zinc/34/51/81/388345181.db2.gz HIPNKQASXKDBHG-SNVBAGLBSA-N 0 3 241.335 0.051 20 0 BCADHN O=C(CNC1CC1)N1CCOC2(CCCC2)C1 ZINC000516572718 388350852 /nfs/dbraw/zinc/35/08/52/388350852.db2.gz KNEJKFQHOCFLEP-UHFFFAOYSA-N 0 3 238.331 0.910 20 0 BCADHN CN1C[C@H](NC[C@H](O)CC(F)(F)F)CC1=O ZINC000307948861 388357786 /nfs/dbraw/zinc/35/77/86/388357786.db2.gz MJKLBHMCTRPWJA-RNFRBKRXSA-N 0 3 240.225 0.120 20 0 BCADHN Cc1cnccc1NC(=O)[C@H]1NCC1(C)C ZINC000646430461 388358039 /nfs/dbraw/zinc/35/80/39/388358039.db2.gz RWYOZYINOQJXMC-SNVBAGLBSA-N 0 3 219.288 0.748 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN1CC[C@@H](OC)C1 ZINC000234718819 388358541 /nfs/dbraw/zinc/35/85/41/388358541.db2.gz VIECNKKDKMADAR-SDDRHHMPSA-N 0 3 247.335 0.120 20 0 BCADHN CC(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000646446043 388360073 /nfs/dbraw/zinc/36/00/73/388360073.db2.gz FIRFAZJMEPFOGP-MNOVXSKESA-N 0 3 212.293 0.328 20 0 BCADHN COC[C@@H](C)OC[C@@H](O)CN1CC[C@@H](OC)C1 ZINC000234760197 388360193 /nfs/dbraw/zinc/36/01/93/388360193.db2.gz VIECNKKDKMADAR-GRYCIOLGSA-N 0 3 247.335 0.120 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000646451990 388360720 /nfs/dbraw/zinc/36/07/20/388360720.db2.gz PMQQCYYCQPNVGD-LPEHRKFASA-N 0 3 226.320 0.404 20 0 BCADHN NCc1ccc(C(=O)N2CCN3CCC2CC3)o1 ZINC000646450459 388360802 /nfs/dbraw/zinc/36/08/02/388360802.db2.gz SEWCNAKHAMGIPH-UHFFFAOYSA-N 0 3 249.314 0.659 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC(C)(COC)CC1 ZINC000572615813 388360841 /nfs/dbraw/zinc/36/08/41/388360841.db2.gz GVMLAUSRGFLBAZ-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)C(=O)N(C)C ZINC000163332821 388360959 /nfs/dbraw/zinc/36/09/59/388360959.db2.gz GZDSPXYKEVFVED-YIZRAAEISA-N 0 3 214.309 0.212 20 0 BCADHN N[C@H](CC(F)F)C(=O)N1CCN2CCC1CC2 ZINC000646450359 388361166 /nfs/dbraw/zinc/36/11/66/388361166.db2.gz QBZOWJLHQCUFMZ-SECBINFHSA-N 0 3 247.289 0.276 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN1CC[C@@H](OC)C1 ZINC000234823286 388361256 /nfs/dbraw/zinc/36/12/56/388361256.db2.gz VIECNKKDKMADAR-QJPTWQEYSA-N 0 3 247.335 0.120 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@H]1NCC1(C)C ZINC000646456888 388362261 /nfs/dbraw/zinc/36/22/61/388362261.db2.gz PTKCXRVHLITYET-JGVFFNPUSA-N 0 3 200.282 0.136 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@](C)(OC)C1 ZINC000230282753 388365629 /nfs/dbraw/zinc/36/56/29/388365629.db2.gz LELXPHRQROHFDN-GXSJLCMTSA-N 0 3 214.309 0.751 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@H](C)[C@H]1CO ZINC000305171309 388367225 /nfs/dbraw/zinc/36/72/25/388367225.db2.gz JREHEISMFKZLRR-WDEREUQCSA-N 0 3 228.336 0.604 20 0 BCADHN COc1nccc(CNCC(C)(C)N(C)C)n1 ZINC000294906373 388405324 /nfs/dbraw/zinc/40/53/24/388405324.db2.gz ZPFBDGWLNHMNJV-UHFFFAOYSA-N 0 3 238.335 0.915 20 0 BCADHN OC[C@@H]1CN(CCOc2ccccc2)C[C@H]1O ZINC000316063993 388405466 /nfs/dbraw/zinc/40/54/66/388405466.db2.gz HKSBNSYTUOEQMK-WCQYABFASA-N 0 3 237.299 0.350 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCOC2(CCCC2)C1 ZINC000572725485 388371106 /nfs/dbraw/zinc/37/11/06/388371106.db2.gz QEJBLJYDNVDXAM-JTQLQIEISA-N 0 3 242.319 0.132 20 0 BCADHN CNCC(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000646508168 388371394 /nfs/dbraw/zinc/37/13/94/388371394.db2.gz WVKXCGQNSHCJKF-VIFPVBQESA-N 0 3 208.265 0.293 20 0 BCADHN CCc1nn(C)cc1CN1CC[C@@H](O)[C@H]1C ZINC000648800682 388372628 /nfs/dbraw/zinc/37/26/28/388372628.db2.gz NNFUIMUMSKZLNW-BXKDBHETSA-N 0 3 223.320 0.938 20 0 BCADHN CC[C@H](NCCC(N)=O)[C@@H](O)C(F)(F)F ZINC000572762704 388374385 /nfs/dbraw/zinc/37/43/85/388374385.db2.gz BDXLNORMKWYVOG-CAHLUQPWSA-N 0 3 228.214 0.153 20 0 BCADHN CC[C@H](C(=O)NC[C@@](C)(O)CC)N(C)C ZINC000165564268 388405536 /nfs/dbraw/zinc/40/55/36/388405536.db2.gz FGOKLXFDCSKQSW-KOLCDFICSA-N 0 3 216.325 0.604 20 0 BCADHN NC(=O)[C@H]1CCCN1C[C@@H]1CCCC[C@H]1O ZINC000573005306 388405626 /nfs/dbraw/zinc/40/56/26/388405626.db2.gz LBHISFANAJODHM-HBNTYKKESA-N 0 3 226.320 0.487 20 0 BCADHN C[C@H]1CCN(CCNC(=O)Cn2cccn2)C1 ZINC000524719574 388376411 /nfs/dbraw/zinc/37/64/11/388376411.db2.gz AYTWHCXZPIPWST-NSHDSACASA-N 0 3 236.319 0.341 20 0 BCADHN Cn1ccnc1CNC[C@H]1CC[C@H](O)C1 ZINC000236085954 388377281 /nfs/dbraw/zinc/37/72/81/388377281.db2.gz WCXWPNLSVWMRFK-UWVGGRQHSA-N 0 3 209.293 0.671 20 0 BCADHN Cn1ccc(CNC[C@H]2CC[C@H](O)C2)n1 ZINC000236101927 388378093 /nfs/dbraw/zinc/37/80/93/388378093.db2.gz HDRPRWCLOHBELC-ONGXEEELSA-N 0 3 209.293 0.671 20 0 BCADHN C=Cn1cc(CNCC2(O)CCC2)cn1 ZINC000236488957 388379324 /nfs/dbraw/zinc/37/93/24/388379324.db2.gz HRWDUNIAEYAQTO-UHFFFAOYSA-N 0 3 207.277 0.988 20 0 BCADHN CC(C)(C)CCN1CCN(C(=O)CN)CC1 ZINC000236606324 388380289 /nfs/dbraw/zinc/38/02/89/388380289.db2.gz GZEBYHSSRSHBEK-UHFFFAOYSA-N 0 3 227.352 0.526 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000646551428 388380551 /nfs/dbraw/zinc/38/05/51/388380551.db2.gz WVDUKNRHWQKPMW-NSHDSACASA-N 0 3 249.314 0.655 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCCO[C@H](C)C1 ZINC000251940115 388381178 /nfs/dbraw/zinc/38/11/78/388381178.db2.gz ZNFRPOGGXKEUNK-MWLCHTKSSA-N 0 3 231.292 0.021 20 0 BCADHN CC(=O)N1CC(N[C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000572855940 388381346 /nfs/dbraw/zinc/38/13/46/388381346.db2.gz SGVBSMOKSDUKPL-MWLCHTKSSA-N 0 3 237.347 0.432 20 0 BCADHN COC1(C(=O)NCCN2CC[C@H](C)C2)CC1 ZINC000648805026 388382868 /nfs/dbraw/zinc/38/28/68/388382868.db2.gz HXULFFBJBQVQFQ-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN CCO[C@@H]1C[C@H](N(C)C(=O)CN)C1(C)C ZINC000236857636 388384548 /nfs/dbraw/zinc/38/45/48/388384548.db2.gz WMCQDUBNMNQATN-DTWKUNHWSA-N 0 3 214.309 0.607 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H](OC)C(C)(C)C ZINC000236910832 388386114 /nfs/dbraw/zinc/38/61/14/388386114.db2.gz ZNEGUBUUUYDUPC-IUCAKERBSA-N 0 3 216.325 0.901 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H](C)C[C@H](C)O ZINC000236907897 388386219 /nfs/dbraw/zinc/38/62/19/388386219.db2.gz JEPPGQAJQYHORS-VGMNWLOBSA-N 0 3 202.298 0.247 20 0 BCADHN CO[C@H]1CC[C@H](NCc2cnnn2C)C1 ZINC000231681023 388387358 /nfs/dbraw/zinc/38/73/58/388387358.db2.gz NNAYZUJTIZRBAB-WPRPVWTQSA-N 0 3 210.281 0.472 20 0 BCADHN CCO[C@H]1C[C@H](NC(=O)CN)C12CCC2 ZINC000236959531 388387615 /nfs/dbraw/zinc/38/76/15/388387615.db2.gz WVBRENYMBWGDFX-IUCAKERBSA-N 0 3 212.293 0.409 20 0 BCADHN C[C@@H](CNCc1cnnn1C)Cn1cccn1 ZINC000572916320 388388527 /nfs/dbraw/zinc/38/85/27/388388527.db2.gz IRFGBDFMTAQFDI-JTQLQIEISA-N 0 3 234.307 0.438 20 0 BCADHN CO[C@@H](CNC(=O)CN)c1ccccc1 ZINC000237069004 388388695 /nfs/dbraw/zinc/38/86/95/388388695.db2.gz BBCRISJKKXJZSK-JTQLQIEISA-N 0 3 208.261 0.449 20 0 BCADHN Cc1c(C(=O)Nc2cccc(CN)c2)nnn1C ZINC000646579117 388389118 /nfs/dbraw/zinc/38/91/18/388389118.db2.gz RMNLJHHBBVZMSU-UHFFFAOYSA-N 0 3 245.286 0.835 20 0 BCADHN CO[C@H](CNC(=O)CN)c1ccccc1 ZINC000237195397 388390669 /nfs/dbraw/zinc/39/06/69/388390669.db2.gz BBCRISJKKXJZSK-SNVBAGLBSA-N 0 3 208.261 0.449 20 0 BCADHN CSCC(=O)N1CCN[C@H](C)[C@H]1C ZINC000261530436 135158079 /nfs/dbraw/zinc/15/80/79/135158079.db2.gz ZVHKSSMSGKFYHE-HTQZYQBOSA-N 0 3 202.323 0.558 20 0 BCADHN CCOC(=O)C(C)(C)NC(=O)[C@@H](N)CC ZINC000237150660 388390972 /nfs/dbraw/zinc/39/09/72/388390972.db2.gz HFYFNWOJAULGST-ZETCQYMHSA-N 0 3 216.281 0.182 20 0 BCADHN CNCC(=O)NCCCc1nc(C(C)C)no1 ZINC000237223689 388392132 /nfs/dbraw/zinc/39/21/32/388392132.db2.gz GEEAZMFLJBSEDZ-UHFFFAOYSA-N 0 3 240.307 0.461 20 0 BCADHN CN(C(=O)CN)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000237284471 388392981 /nfs/dbraw/zinc/39/29/81/388392981.db2.gz PWPZMDWFXDIRFT-SFGNSQDASA-N 0 3 212.293 0.217 20 0 BCADHN COc1nccc(CNCC[C@@H](C)OC)n1 ZINC000294952505 388406501 /nfs/dbraw/zinc/40/65/01/388406501.db2.gz FNISYGDWWQYTBW-SECBINFHSA-N 0 3 225.292 1.000 20 0 BCADHN O=C(CN1C[C@@H]2CCC[C@H]2C1)N1CCNC1=O ZINC000153233876 388393534 /nfs/dbraw/zinc/39/35/34/388393534.db2.gz JVBPUPYBVAFCCJ-UWVGGRQHSA-N 0 3 237.303 0.270 20 0 BCADHN O=C(CNC1CC1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000572952318 388396381 /nfs/dbraw/zinc/39/63/81/388396381.db2.gz DXWJRFJJOYPTCI-NWDGAFQWSA-N 0 3 238.331 0.812 20 0 BCADHN COC(=O)[C@H]1CC[C@@H](NC(=O)CNC2CC2)C1 ZINC000572952429 388396901 /nfs/dbraw/zinc/39/69/01/388396901.db2.gz POZUBBTYUDDRNH-WCBMZHEXSA-N 0 3 240.303 0.196 20 0 BCADHN C[C@H]1CN(C(=O)CNC[C@@H]2CCCO2)C[C@H]1C ZINC000237598670 388397298 /nfs/dbraw/zinc/39/72/98/388397298.db2.gz BNRGNVSCPOWBGR-TUAOUCFPSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)[C@@H](N)c1cn(CC(C)(C)O)nn1 ZINC000300858872 388398429 /nfs/dbraw/zinc/39/84/29/388398429.db2.gz GEGYQEVZDYVEEQ-SECBINFHSA-N 0 3 212.297 0.705 20 0 BCADHN COCC[C@@H](CO)NCc1c(C)n[nH]c1C ZINC000300844537 388398690 /nfs/dbraw/zinc/39/86/90/388398690.db2.gz KDVNTJLWRAZXJX-JTQLQIEISA-N 0 3 227.308 0.514 20 0 BCADHN O=C(CNC[C@H]1CCCO1)NCC1CCC1 ZINC000237927657 388398976 /nfs/dbraw/zinc/39/89/76/388398976.db2.gz YTWHHKZTHPXTTJ-LLVKDONJSA-N 0 3 226.320 0.671 20 0 BCADHN CN[C@@H](C)C(=O)NCCCn1ccnc1C ZINC000572974243 388401632 /nfs/dbraw/zinc/40/16/32/388401632.db2.gz PNGDIXVOOCRXLF-VIFPVBQESA-N 0 3 224.308 0.306 20 0 BCADHN Cc1n[nH]cc1CNC[C@H](O)C1CCC1 ZINC000315770073 388402782 /nfs/dbraw/zinc/40/27/82/388402782.db2.gz PSJKIRIRLFBVLF-NSHDSACASA-N 0 3 209.293 0.969 20 0 BCADHN Cc1cnc(CNC(=O)/C=C/CN(C)C)o1 ZINC000492105550 388335215 /nfs/dbraw/zinc/33/52/15/388335215.db2.gz XCDUABLFIMQSRH-SNAWJCMRSA-N 0 3 223.276 0.717 20 0 BCADHN CC[C@@H](O)CCNC(=O)/C=C\CN(C)C ZINC000492118359 388335750 /nfs/dbraw/zinc/33/57/50/388335750.db2.gz YWIDQYCVSRMYRR-WWQCOOJYSA-N 0 3 214.309 0.381 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC(CO)CC1 ZINC000492201830 388337995 /nfs/dbraw/zinc/33/79/95/388337995.db2.gz BXCCGIMBFDFWHS-ARJAWSKDSA-N 0 3 226.320 0.335 20 0 BCADHN CN(C)CCNC(=O)/C=C\c1cccc(CO)c1 ZINC000492221051 388338523 /nfs/dbraw/zinc/33/85/23/388338523.db2.gz HXONPBJPNHSUBX-SREVYHEPSA-N 0 3 248.326 0.870 20 0 BCADHN CN(C)C/C=C\C(=O)N(CCO)C1CC1 ZINC000492235556 388338865 /nfs/dbraw/zinc/33/88/65/388338865.db2.gz XJAVBDDNVIXUHP-ARJAWSKDSA-N 0 3 212.293 0.088 20 0 BCADHN CC[C@@H]1CN(C(=O)/C=C\CN(C)C)C[C@H]1O ZINC000492252818 388339513 /nfs/dbraw/zinc/33/95/13/388339513.db2.gz PJYNNDWIVLCVHW-ADRPCIBZSA-N 0 3 226.320 0.334 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@]1(C)CCOC1 ZINC000492281550 388340210 /nfs/dbraw/zinc/34/02/10/388340210.db2.gz CYMTYPSPURALLI-WYGGZMRJSA-N 0 3 212.293 0.399 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000246796185 388445970 /nfs/dbraw/zinc/44/59/70/388445970.db2.gz SNFLGYNUIIJWAG-OPRDCNLKSA-N 0 3 241.335 0.938 20 0 BCADHN CNC(=O)[C@H](N[C@@H]1CCOC1)C(C)C ZINC000134829936 388480589 /nfs/dbraw/zinc/48/05/89/388480589.db2.gz LEFMDPBEPBIKTK-RKDXNWHRSA-N 0 3 200.282 0.136 20 0 BCADHN C[C@]1(CNC(=O)C2(N)CCC2)CCOC1 ZINC000335013105 388448296 /nfs/dbraw/zinc/44/82/96/388448296.db2.gz HOOHWDBCFIOXHV-SNVBAGLBSA-N 0 3 212.293 0.411 20 0 BCADHN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000335210022 388449003 /nfs/dbraw/zinc/44/90/03/388449003.db2.gz YKYHHLZPPRLXPO-RNFRBKRXSA-N 0 3 234.346 0.762 20 0 BCADHN Cc1cnccc1NC(=O)[C@@H](N)C1CCC1 ZINC000335537706 388452018 /nfs/dbraw/zinc/45/20/18/388452018.db2.gz AGEVILHTYIXIDP-NSHDSACASA-N 0 3 219.288 0.878 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCN(C)C[C@H]1C ZINC000335663460 388454552 /nfs/dbraw/zinc/45/45/52/388454552.db2.gz PYCQIEIAPXJIRZ-ZJUUUORDSA-N 0 3 225.336 0.289 20 0 BCADHN COC[C@@H](C)N(C)C(=O)[C@@H](N)CC(F)F ZINC000336658909 388460619 /nfs/dbraw/zinc/46/06/19/388460619.db2.gz BHTDYVAFLFOLBT-RQJHMYQMSA-N 0 3 224.251 0.462 20 0 BCADHN [NH3+]C1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000082271702 388463363 /nfs/dbraw/zinc/46/33/63/388463363.db2.gz JBSHQDSHFIQFGZ-UHFFFAOYSA-N 0 3 245.286 0.521 20 0 BCADHN CN(C)CCNC(=O)CNc1cccc(F)c1 ZINC000131091021 388464822 /nfs/dbraw/zinc/46/48/22/388464822.db2.gz LDASMGZPIJACSD-UHFFFAOYSA-N 0 3 239.294 0.915 20 0 BCADHN CS[C@@H](C)CNC(=O)[C@@H](N)CC(F)F ZINC000336702256 388465288 /nfs/dbraw/zinc/46/52/88/388465288.db2.gz YUFQGODTFXTCSJ-WDSKDSINSA-N 0 3 226.292 0.837 20 0 BCADHN CCOCCNC(=O)[C@H](N)CC(F)F ZINC000336703211 388465327 /nfs/dbraw/zinc/46/53/27/388465327.db2.gz ZGLHPXYCQQJEQA-ZCFIWIBFSA-N 0 3 210.224 0.122 20 0 BCADHN CS[C@H](C)CNC(=O)[C@H](N)CC(F)F ZINC000336702254 388465667 /nfs/dbraw/zinc/46/56/67/388465667.db2.gz YUFQGODTFXTCSJ-PHDIDXHHSA-N 0 3 226.292 0.837 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N1CCN(C2CC2)CC1 ZINC000336710175 388466532 /nfs/dbraw/zinc/46/65/32/388466532.db2.gz MYYRJBHRAQMLEF-VIFPVBQESA-N 0 3 247.289 0.276 20 0 BCADHN Cc1nnc([N-]C(=O)[C@@]2(C)CCC[NH2+]2)n1C ZINC000515637057 256751709 /nfs/dbraw/zinc/75/17/09/256751709.db2.gz BODHXLNPOWTJLY-SNVBAGLBSA-N 0 3 223.280 0.204 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@](C)(O)C1 ZINC000177356845 388481490 /nfs/dbraw/zinc/48/14/90/388481490.db2.gz KTGMICMBTWIARK-NSHDSACASA-N 0 3 214.309 0.312 20 0 BCADHN CC[C@H](O)CCCN[C@H](C)CS(C)(=O)=O ZINC000336723443 388468575 /nfs/dbraw/zinc/46/85/75/388468575.db2.gz FMNZZXHBTUGQPK-ZJUUUORDSA-N 0 3 237.365 0.560 20 0 BCADHN c1c(-c2ccncc2)nnn1C[C@@H]1CNCCO1 ZINC000630617565 388469435 /nfs/dbraw/zinc/46/94/35/388469435.db2.gz VBJRJWGBACLUII-NSHDSACASA-N 0 3 245.286 0.329 20 0 BCADHN c1c(-c2ccncc2)nnn1C[C@H]1CNCCO1 ZINC000630617564 388469610 /nfs/dbraw/zinc/46/96/10/388469610.db2.gz VBJRJWGBACLUII-LLVKDONJSA-N 0 3 245.286 0.329 20 0 BCADHN CC[C@@H](O)CN1CCN(CCCF)CC1 ZINC000133972431 388473306 /nfs/dbraw/zinc/47/33/06/388473306.db2.gz JZODVBSOLZQPIZ-LLVKDONJSA-N 0 3 218.316 0.735 20 0 BCADHN CCOC[C@@H](O)CN1CCOC[C@@H](C)C1 ZINC000338255422 388474917 /nfs/dbraw/zinc/47/49/17/388474917.db2.gz ULGUKMSYIZBRSM-QWRGUYRKSA-N 0 3 217.309 0.352 20 0 BCADHN Cc1c(CN[C@H]2CCO[C@@H]2C)cnn1C ZINC000134246723 388475088 /nfs/dbraw/zinc/47/50/88/388475088.db2.gz WJRFBKKLQMHUOP-KOLCDFICSA-N 0 3 209.293 0.996 20 0 BCADHN [NH3+]C[C@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000646669717 388409517 /nfs/dbraw/zinc/40/95/17/388409517.db2.gz OUUKVYZPAJNAKF-MRVPVSSYSA-N 0 3 245.286 0.379 20 0 BCADHN CN(C(=O)[C@H]1CCOC1)C1CCN(C)CC1 ZINC000068467877 388409899 /nfs/dbraw/zinc/40/98/99/388409899.db2.gz OIWXFAHBEBTYTH-JTQLQIEISA-N 0 3 226.320 0.576 20 0 BCADHN CCCN(C)C(=O)C(C)S(C)(=O)=O ZINC000068997979 388411424 /nfs/dbraw/zinc/41/14/24/388411424.db2.gz YHFCRKLIHZMGRN-SSDOTTSWSA-N 0 3 207.295 0.288 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C(=O)OC)C(C)C ZINC000040437979 388415741 /nfs/dbraw/zinc/41/57/41/388415741.db2.gz RIPOVUPAUFRZOL-JGVFFNPUSA-N 0 3 216.281 0.038 20 0 BCADHN OC[C@@H]1CN(C[C@@H](O)CC2CCCC2)C[C@H]1O ZINC000316511703 388415865 /nfs/dbraw/zinc/41/58/65/388415865.db2.gz NIYGTKUWOVQEIZ-RWMBFGLXSA-N 0 3 243.347 0.213 20 0 BCADHN C[C@@H](Cn1cccn1)NC(=O)[C@H](C)NC1CC1 ZINC000296272154 388419540 /nfs/dbraw/zinc/41/95/40/388419540.db2.gz DTPSQQXDIIBVEL-UWVGGRQHSA-N 0 3 236.319 0.528 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000513299522 388422325 /nfs/dbraw/zinc/42/23/25/388422325.db2.gz XBYYDQZBWUFGMT-IJLUTSLNSA-N 0 3 242.363 0.802 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245668513 388427596 /nfs/dbraw/zinc/42/75/96/388427596.db2.gz BQFYALLKBGWIES-GMXVVIOVSA-N 0 3 238.331 0.502 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000513448080 388429107 /nfs/dbraw/zinc/42/91/07/388429107.db2.gz QVKXPUGEOZKGFN-OUAUKWLOSA-N 0 3 228.336 0.602 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@H](C)[C@H](C)O ZINC000573197239 388430420 /nfs/dbraw/zinc/43/04/20/388430420.db2.gz HLSKWYLACDSKDS-UTINFBMNSA-N 0 3 203.282 0.149 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H](C)[C@H](C)O ZINC000573197237 388431030 /nfs/dbraw/zinc/43/10/30/388431030.db2.gz HLSKWYLACDSKDS-AXTSPUMRSA-N 0 3 203.282 0.149 20 0 BCADHN CC(C)[C@H]1CCN([C@H]2CC(=O)NC2=O)C1 ZINC000573216766 388433084 /nfs/dbraw/zinc/43/30/84/388433084.db2.gz CJVWGYPYQWZZBW-IUCAKERBSA-N 0 3 210.277 0.379 20 0 BCADHN CO[C@@H]1C[C@H](N[C@@H](C)C(N)=O)C12CCC2 ZINC000308346185 388436573 /nfs/dbraw/zinc/43/65/73/388436573.db2.gz PNBLPSIQUSCLSC-XHNCKOQMSA-N 0 3 212.293 0.407 20 0 BCADHN CO[C@@H]1C[C@@H](NCC(=O)NC2CC2)C12CCC2 ZINC000308394270 388437701 /nfs/dbraw/zinc/43/77/01/388437701.db2.gz NVBFNNDZOMGPTN-GHMZBOCLSA-N 0 3 238.331 0.812 20 0 BCADHN CCO[C@@H]1C[C@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000573278017 388438181 /nfs/dbraw/zinc/43/81/81/388438181.db2.gz RYKWFCSPJZSJPH-IVZWLZJFSA-N 0 3 229.324 0.413 20 0 BCADHN Cc1csc([C@H](C)NC(=O)[C@@H](C)N)n1 ZINC000070634198 388438195 /nfs/dbraw/zinc/43/81/95/388438195.db2.gz WWTSPQILQYWKGE-RQJHMYQMSA-N 0 3 213.306 0.976 20 0 BCADHN CCO[C@H]1C[C@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000573278015 388438527 /nfs/dbraw/zinc/43/85/27/388438527.db2.gz RYKWFCSPJZSJPH-AEJSXWLSSA-N 0 3 229.324 0.413 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC2(O)CCC2)[C@@H]1C ZINC000528512942 388538960 /nfs/dbraw/zinc/53/89/60/388538960.db2.gz OTATXKZXNRDOHY-MXWKQRLJSA-N 0 3 213.321 0.993 20 0 BCADHN CCn1nc(C)c(CNC(=O)C(C)(C)N)c1C ZINC000517135353 388539119 /nfs/dbraw/zinc/53/91/19/388539119.db2.gz YVMXZSXTBNCYRW-UHFFFAOYSA-N 0 3 238.335 0.873 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1C[C@@H](O)CC1(O)CCC1 ZINC000528517105 388540181 /nfs/dbraw/zinc/54/01/81/388540181.db2.gz HEOFVDCRZPLWQM-GRYCIOLGSA-N 0 3 243.347 0.498 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCc1cnccn1 ZINC000353338060 388542498 /nfs/dbraw/zinc/54/24/98/388542498.db2.gz RNBGMBLKODPASW-SNVBAGLBSA-N 0 3 222.292 0.119 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2ccncc2C)C1 ZINC000528526005 388544101 /nfs/dbraw/zinc/54/41/01/388544101.db2.gz HUXLZWSTHSODSF-GFCCVEGCSA-N 0 3 233.315 0.958 20 0 BCADHN CN(C(=O)c1cccnn1)[C@@H]1CCN(C2CC2)C1 ZINC000528530411 388544270 /nfs/dbraw/zinc/54/42/70/388544270.db2.gz XNDMICWZNXAVEL-LLVKDONJSA-N 0 3 246.314 0.785 20 0 BCADHN CCC1(O)CCN(C(=O)[C@H](C)N)CC1 ZINC000517243579 388544666 /nfs/dbraw/zinc/54/46/66/388544666.db2.gz VLALCWQUDPDDGK-QMMMGPOBSA-N 0 3 200.282 0.097 20 0 BCADHN O[C@@H](CN1CCC2(COC2)C1)CC1(O)CCC1 ZINC000528562234 388546764 /nfs/dbraw/zinc/54/67/64/388546764.db2.gz VNQIUODQOFBRQK-LLVKDONJSA-N 0 3 241.331 0.375 20 0 BCADHN O[C@H](CN1CCC2(COC2)C1)CC1(O)CCC1 ZINC000528562237 388547400 /nfs/dbraw/zinc/54/74/00/388547400.db2.gz VNQIUODQOFBRQK-NSHDSACASA-N 0 3 241.331 0.375 20 0 BCADHN CC[C@H](O)CN[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000517360928 388547668 /nfs/dbraw/zinc/54/76/68/388547668.db2.gz BVMSUQNGBARNMP-BDAKNGLRSA-N 0 3 235.349 0.313 20 0 BCADHN COCCC1CCN([C@@H]2CCNC2=O)CC1 ZINC000528576497 388548065 /nfs/dbraw/zinc/54/80/65/388548065.db2.gz UVHDAHCLCQJJHF-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN COCCC1CCN([C@H]2CCNC2=O)CC1 ZINC000528576498 388548325 /nfs/dbraw/zinc/54/83/25/388548325.db2.gz UVHDAHCLCQJJHF-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN Cc1nocc1CNC[C@]1(O)CCN(C)C1 ZINC000339347630 388483012 /nfs/dbraw/zinc/48/30/12/388483012.db2.gz CUZACURKSYPPJQ-LLVKDONJSA-N 0 3 225.292 0.139 20 0 BCADHN O=C(NC1CC[NH+](CC2CC2)CC1)c1cnn[n-]1 ZINC000194249046 388483687 /nfs/dbraw/zinc/48/36/87/388483687.db2.gz BPMFJGUTAORAAI-UHFFFAOYSA-N 0 3 249.318 0.409 20 0 BCADHN CC(C)OC(=O)NCC1(O)CCN(C)CC1 ZINC000397624695 388485406 /nfs/dbraw/zinc/48/54/06/388485406.db2.gz KDIJNDQYMABLJI-UHFFFAOYSA-N 0 3 230.308 0.578 20 0 BCADHN CCC[C@@]1(NC[C@](C)(O)C(=O)OC)CCOC1 ZINC000356285967 388548572 /nfs/dbraw/zinc/54/85/72/388548572.db2.gz WEBYSDNRTYKDCZ-NWDGAFQWSA-N 0 3 245.319 0.459 20 0 BCADHN C[C@H](CN[C@@H]1CCOC1(C)C)S(C)(=O)=O ZINC000340310689 388488828 /nfs/dbraw/zinc/48/88/28/388488828.db2.gz RPBQGMHGURYZOF-RKDXNWHRSA-N 0 3 235.349 0.577 20 0 BCADHN CN(C[C@@H]1CCCCO1)[C@@H]1COC[C@@H]1O ZINC000340282151 388489167 /nfs/dbraw/zinc/48/91/67/388489167.db2.gz QVXYXTHLZVFBGY-AXFHLTTASA-N 0 3 215.293 0.247 20 0 BCADHN CO[C@@H](CNCC(=O)NC(C)C)C1CC1 ZINC000378732839 388489264 /nfs/dbraw/zinc/48/92/64/388489264.db2.gz DXQWARXTSUIXEF-JTQLQIEISA-N 0 3 214.309 0.526 20 0 BCADHN CC1(C)OCC[C@H]1NCC(=O)NCC(F)F ZINC000340375433 388490137 /nfs/dbraw/zinc/49/01/37/388490137.db2.gz HIBPQIIQPLSHSX-SSDOTTSWSA-N 0 3 236.262 0.525 20 0 BCADHN COC(=O)CCNC(=O)CN(C)CCC1CC1 ZINC000135305261 388490492 /nfs/dbraw/zinc/49/04/92/388490492.db2.gz KEFUEALSWDCYOG-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN CO[C@@H](CN[C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000340494763 388491591 /nfs/dbraw/zinc/49/15/91/388491591.db2.gz YOQRXCUTVOXTAQ-WPRPVWTQSA-N 0 3 235.349 0.434 20 0 BCADHN Cc1cnn(CCN2C[C@@H](C)[C@@H](O)C2)c1 ZINC000341918378 388496353 /nfs/dbraw/zinc/49/63/53/388496353.db2.gz FHUIMBSVICLSAF-MNOVXSKESA-N 0 3 209.293 0.504 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1CCCOC1)N(C)C ZINC000178095870 388496425 /nfs/dbraw/zinc/49/64/25/388496425.db2.gz BJNPPXUQNSKGHG-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CCC[C@@H](CNCC(=O)N1CCOCC1)OC ZINC000378757724 388496577 /nfs/dbraw/zinc/49/65/77/388496577.db2.gz UDBJAJUSVUFFJL-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CCNC(=O)[C@H](C)NC[C@@H](OC)C1CC1 ZINC000378751813 388496893 /nfs/dbraw/zinc/49/68/93/388496893.db2.gz PDVGBUNANCJYKV-WCBMZHEXSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@@H](C[S@@](C)=O)N(C)CCC(C)(C)O ZINC000342665414 388497971 /nfs/dbraw/zinc/49/79/71/388497971.db2.gz SWGDWAJPBGDFAD-LKFCYVNXSA-N 0 3 221.366 0.846 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)CCC(C)(C)O ZINC000342665415 388498152 /nfs/dbraw/zinc/49/81/52/388498152.db2.gz SWGDWAJPBGDFAD-OTYXRUKQSA-N 0 3 221.366 0.846 20 0 BCADHN CN(CC(=O)N(C)CC1CC1)C[C@@H]1CCOC1 ZINC000178344292 388498572 /nfs/dbraw/zinc/49/85/72/388498572.db2.gz XUKMZBFCOOMTBT-LBPRGKRZSA-N 0 3 240.347 0.823 20 0 BCADHN Cc1ccnc(NC(=O)CN2CCNCC2)c1 ZINC000034958669 388499704 /nfs/dbraw/zinc/49/97/04/388499704.db2.gz NOPSOAVHEZGLDT-UHFFFAOYSA-N 0 3 234.303 0.234 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N(CCN(C)C)C(C)C ZINC000178596143 388502968 /nfs/dbraw/zinc/50/29/68/388502968.db2.gz HPFGPEZYHRAOIR-SNVBAGLBSA-N 0 3 243.351 0.310 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCS[C@H](C)CC1 ZINC000343914325 388503330 /nfs/dbraw/zinc/50/33/30/388503330.db2.gz FIGCYPVLTLNPOK-MWLCHTKSSA-N 0 3 247.360 0.738 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC=C(C)C1 ZINC000343943799 388503794 /nfs/dbraw/zinc/50/37/94/388503794.db2.gz ADJKHXDXAYPXKE-NSHDSACASA-N 0 3 213.277 0.562 20 0 BCADHN C[C@H](O)[C@H](C)NCc1ccc2c(c1)C(=O)NCC2 ZINC000516922269 388508440 /nfs/dbraw/zinc/50/84/40/388508440.db2.gz RSTZLTXOZDBWOR-UWVGGRQHSA-N 0 3 248.326 0.831 20 0 BCADHN CN1CCN(C(=O)NC(C)(C)C)[C@@H](CN)C1 ZINC000087613616 256804355 /nfs/dbraw/zinc/80/43/55/256804355.db2.gz LBOWAGVKWBNYGQ-VIFPVBQESA-N 0 3 228.340 0.069 20 0 BCADHN CN(C)C1(CNCc2cccc(C(N)=O)c2)CC1 ZINC000397873040 388508534 /nfs/dbraw/zinc/50/85/34/388508534.db2.gz UGSYQUKFJWATAU-UHFFFAOYSA-N 0 3 247.342 0.969 20 0 BCADHN COc1cc(F)cc(CNC[C@@H](O)CO)c1 ZINC000312265364 388509136 /nfs/dbraw/zinc/50/91/36/388509136.db2.gz DHQKUYMGODPGKH-SNVBAGLBSA-N 0 3 229.251 0.277 20 0 BCADHN NC1(C(=O)Nc2ccc3nccn3c2)CC1 ZINC000517377338 388549412 /nfs/dbraw/zinc/54/94/12/388549412.db2.gz SYQBAAOHRWQEDC-UHFFFAOYSA-N 0 3 216.244 0.764 20 0 BCADHN C[C@H]1C[C@H](C)N1CCCN1C(=O)CNC1=O ZINC000548096328 388510917 /nfs/dbraw/zinc/51/09/17/388510917.db2.gz TYBXLWYPICTRJF-IUCAKERBSA-N 0 3 225.292 0.411 20 0 BCADHN C[C@H](CCO)CN[C@H]1CCn2ccnc21 ZINC000345342041 388511707 /nfs/dbraw/zinc/51/17/07/388511707.db2.gz FNSALXWALIZTDE-ZJUUUORDSA-N 0 3 209.293 0.936 20 0 BCADHN CN(C)C1(CNC(=O)c2cscn2)CC1 ZINC000397988071 388513690 /nfs/dbraw/zinc/51/36/90/388513690.db2.gz NFKMQIOHAPOIEZ-UHFFFAOYSA-N 0 3 225.317 0.967 20 0 BCADHN COC(=O)CNC(=O)[C@@H](C)NC1(C2CC2)CC1 ZINC000516685511 388513912 /nfs/dbraw/zinc/51/39/12/388513912.db2.gz XEMSJYFCYMGKHM-MRVPVSSYSA-N 0 3 240.303 0.196 20 0 BCADHN C[C@]1(CNC(=O)[C@H](N)CC(F)F)CCOC1 ZINC000345825017 388516887 /nfs/dbraw/zinc/51/68/87/388516887.db2.gz VNMXLAISWDZKKM-GMSGAONNSA-N 0 3 236.262 0.512 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)[C@@H](C)O ZINC000648955616 388517024 /nfs/dbraw/zinc/51/70/24/388517024.db2.gz LAQIPKGQNLVWLE-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCC[C@@H](CO)CC1 ZINC000378835431 388517828 /nfs/dbraw/zinc/51/78/28/388517828.db2.gz MBFNQYSWJBSPAT-WDEREUQCSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NC(=O)CNC(C)C ZINC000516786695 388517777 /nfs/dbraw/zinc/51/77/77/388517777.db2.gz DPWWFFVZYBFZKA-VIFPVBQESA-N 0 3 238.335 0.904 20 0 BCADHN CN[C@@H](C)C(=O)NCCCOCC(F)(F)F ZINC000517040782 256812623 /nfs/dbraw/zinc/81/26/23/256812623.db2.gz YAMWKCGWYNNISS-ZETCQYMHSA-N 0 3 242.241 0.680 20 0 BCADHN CC[C@@H](O)CN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000517038486 256812948 /nfs/dbraw/zinc/81/29/48/256812948.db2.gz DETIHVPWKPHBEI-NXEZZACHSA-N 0 3 214.309 0.310 20 0 BCADHN CC[C@H](N)C(=O)N1CCOCC12CCC2 ZINC000564343420 388520382 /nfs/dbraw/zinc/52/03/82/388520382.db2.gz LIZVXTNOVINEDN-VIFPVBQESA-N 0 3 212.293 0.505 20 0 BCADHN CC1(O)CCN(C[C@H](O)CC2(O)CCC2)CC1 ZINC000528404217 388520525 /nfs/dbraw/zinc/52/05/25/388520525.db2.gz OKZXKSQJTYPZMG-LLVKDONJSA-N 0 3 243.347 0.499 20 0 BCADHN C[C@@H](CNC(=O)C(C)(C)CO)N(C)C1CC1 ZINC000548193861 388521059 /nfs/dbraw/zinc/52/10/59/388521059.db2.gz CZDLYIMZVAEWEW-VIFPVBQESA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C[C@@H](O)CC1(O)CCC1 ZINC000528426797 388523451 /nfs/dbraw/zinc/52/34/51/388523451.db2.gz HBXVRXWUIOBHCS-VWYCJHECSA-N 0 3 229.320 0.108 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@@H](CO)C1 ZINC000347851358 388523935 /nfs/dbraw/zinc/52/39/35/388523935.db2.gz VIGZIUTVHAPHDU-SNVBAGLBSA-N 0 3 209.293 0.543 20 0 BCADHN CC[C@@](C)(CO)C(=O)NC[C@H]1CCCN1C ZINC000520836203 388524989 /nfs/dbraw/zinc/52/49/89/388524989.db2.gz IYNMLBSIKKYBPC-PWSUYJOCSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCc3n[nH]cc3C2)C1 ZINC000516935936 388526592 /nfs/dbraw/zinc/52/65/92/388526592.db2.gz NWSRRIXSVJDTDU-SNVBAGLBSA-N 0 3 248.330 0.636 20 0 BCADHN O=C1CCCN1CCCN1C[C@@H](O)C2(CC2)C1 ZINC000548298509 388527018 /nfs/dbraw/zinc/52/70/18/388527018.db2.gz LXZZILQMWORNAO-LLVKDONJSA-N 0 3 238.331 0.456 20 0 BCADHN CCOC[C@H](C)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000348180278 388527251 /nfs/dbraw/zinc/52/72/51/388527251.db2.gz HKTMLRBSGNAOLC-LPEHRKFASA-N 0 3 235.349 0.434 20 0 BCADHN COCCNCCNC(=O)c1csnc1C ZINC000516969420 388528222 /nfs/dbraw/zinc/52/82/22/388528222.db2.gz CZLZRHFEUFTPBP-UHFFFAOYSA-N 0 3 243.332 0.417 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)N(C)CCCCO ZINC000349924061 388529201 /nfs/dbraw/zinc/52/92/01/388529201.db2.gz ZPXDTVNSKYHPJY-MNOVXSKESA-N 0 3 230.352 0.994 20 0 BCADHN CC1(C2CC2)CCN([C@H]2CC(=O)NC2=O)CC1 ZINC000516977962 388529330 /nfs/dbraw/zinc/52/93/30/388529330.db2.gz NLXRUELJJIPZOU-JTQLQIEISA-N 0 3 236.315 0.914 20 0 BCADHN COCCCN1CCNC[C@H]1C(F)F ZINC000516971302 388530126 /nfs/dbraw/zinc/53/01/26/388530126.db2.gz SDGLLUWNDPEXNI-QMMMGPOBSA-N 0 3 208.252 0.562 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000516988284 388531249 /nfs/dbraw/zinc/53/12/49/388531249.db2.gz OVQMJZJPKQGVJX-JBLDHEPKSA-N 0 3 226.320 0.479 20 0 BCADHN CN[C@@H](C)C(=O)N(CCOC)CC(F)F ZINC000517039069 388534342 /nfs/dbraw/zinc/53/43/42/388534342.db2.gz BSRHZZUSKPXXHC-ZETCQYMHSA-N 0 3 224.251 0.334 20 0 BCADHN C[C@@H]1C[C@H](C)N1CCCS(=O)(=O)N(C)C ZINC000548424265 388535295 /nfs/dbraw/zinc/53/52/95/388535295.db2.gz DDMCUUSHBIYRRK-AOOOYVTPSA-N 0 3 234.365 0.751 20 0 BCADHN CCC[C@@H](O)CN(CC(N)=O)C1CCCC1 ZINC000649285444 388535406 /nfs/dbraw/zinc/53/54/06/388535406.db2.gz BFOGSDAQNMRTQP-LLVKDONJSA-N 0 3 228.336 0.877 20 0 BCADHN O=C(CN[C@H](CO)C1CCCC1)NCC1CC1 ZINC000352620443 388536932 /nfs/dbraw/zinc/53/69/32/388536932.db2.gz DJTJJQPFNHEKDV-GFCCVEGCSA-N 0 3 240.347 0.653 20 0 BCADHN CC[C@@H]1CN(C)CCN1c1ncnc2n[nH]cc21 ZINC000549638886 388586184 /nfs/dbraw/zinc/58/61/84/388586184.db2.gz DBBULFIWZGJIJA-SECBINFHSA-N 0 3 246.318 0.883 20 0 BCADHN O=C([C@H]1CNCc2ccccc21)N1CCNCC1 ZINC000082796471 388587881 /nfs/dbraw/zinc/58/78/81/388587881.db2.gz SHHZAOHMHCHEEB-ZDUSSCGKSA-N 0 3 245.326 0.305 20 0 BCADHN C[C@@H]1CC[N@H+](CCCOC([O-])=NC(N)=O)[C@H]1C ZINC000245545445 388588443 /nfs/dbraw/zinc/58/84/43/388588443.db2.gz VIFVYXKUVIRNPN-BDAKNGLRSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@@H]1CC[N@@H+](CCCOC([O-])=NC(N)=O)[C@H]1C ZINC000245545445 388588446 /nfs/dbraw/zinc/58/84/46/388588446.db2.gz VIFVYXKUVIRNPN-BDAKNGLRSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@@H]1CC[N@H+](CCCOC(=O)N=C(N)[O-])[C@H]1C ZINC000245545445 388588447 /nfs/dbraw/zinc/58/84/47/388588447.db2.gz VIFVYXKUVIRNPN-BDAKNGLRSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@@H]1CC[N@@H+](CCCOC(=O)N=C(N)[O-])[C@H]1C ZINC000245545445 388588448 /nfs/dbraw/zinc/58/84/48/388588448.db2.gz VIFVYXKUVIRNPN-BDAKNGLRSA-N 0 3 243.307 0.912 20 0 BCADHN COC[C@@H](CCO)NCc1c[nH]nc1C ZINC000219136086 388588924 /nfs/dbraw/zinc/58/89/24/388588924.db2.gz MTJTVMGKRBIMLG-SNVBAGLBSA-N 0 3 213.281 0.205 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)c1nc(C)no1 ZINC000261576309 135217467 /nfs/dbraw/zinc/21/74/67/135217467.db2.gz KFZPGGWDZMSLDN-FSPLSTOPSA-N 0 3 212.253 0.293 20 0 BCADHN CCO[C@@]1(C)C[C@H]1NC(=O)C(C)S(C)(=O)=O ZINC000529850971 388590955 /nfs/dbraw/zinc/59/09/55/388590955.db2.gz DKGOJBOAKUBDLF-XKSSXDPKSA-N 0 3 249.332 0.103 20 0 BCADHN COc1ccc(C(=O)N[C@H](C)C[NH3+])c([O-])c1 ZINC000082577642 388617483 /nfs/dbraw/zinc/61/74/83/388617483.db2.gz PSMHCRNJOQDUQG-SSDOTTSWSA-N 0 3 224.260 0.478 20 0 BCADHN CO[C@H]1CCCC[C@@H]1N[C@@H](C)CS(C)(=O)=O ZINC000081902304 388598806 /nfs/dbraw/zinc/59/88/06/388598806.db2.gz SGEDTKAWLWDLLL-DCAQKATOSA-N 0 3 249.376 0.967 20 0 BCADHN Cc1nocc1CNC[C@@H](CO)[C@H]1CCOC1 ZINC000550216260 388602339 /nfs/dbraw/zinc/60/23/39/388602339.db2.gz UTKXDXBXVPUAQD-QWRGUYRKSA-N 0 3 240.303 0.718 20 0 BCADHN C[C@H](NCC(=O)N(C)C)[C@@H]1CCCCO1 ZINC000379269036 388604475 /nfs/dbraw/zinc/60/44/75/388604475.db2.gz TYUWLZQQMMEAQQ-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CN(C)CCNC(=O)CNC(=O)OC(C)(C)C ZINC000082262246 388610767 /nfs/dbraw/zinc/61/07/67/388610767.db2.gz FNSNVPZYVZVWEM-UHFFFAOYSA-N 0 3 245.323 0.189 20 0 BCADHN Cc1ncc(CN2C[C@@H](CO)[C@H](CO)C2)s1 ZINC000528601789 388551597 /nfs/dbraw/zinc/55/15/97/388551597.db2.gz BEGMTDKERPXOSG-UWVGGRQHSA-N 0 3 242.344 0.484 20 0 BCADHN Cc1cncc(CN2C[C@@H](CO)[C@H](CO)C2)c1 ZINC000528602136 388551608 /nfs/dbraw/zinc/55/16/08/388551608.db2.gz FYUBASBTEBUZBY-STQMWFEESA-N 0 3 236.315 0.423 20 0 BCADHN OC[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1CO ZINC000528606601 388551686 /nfs/dbraw/zinc/55/16/86/388551686.db2.gz MTJZXDUPLRLEFT-RYUDHWBXSA-N 0 3 239.290 0.858 20 0 BCADHN C[C@@H]1C(=O)N(C)CCN1CCN1CCCCC1 ZINC000186938903 256868168 /nfs/dbraw/zinc/86/81/68/256868168.db2.gz ALTAGJWJUKRNBI-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000517589142 388556009 /nfs/dbraw/zinc/55/60/09/388556009.db2.gz WFLZYFWKFCCWMY-HQJQHLMTSA-N 0 3 219.288 0.720 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC12CC(C1)CO2 ZINC000528662554 388556347 /nfs/dbraw/zinc/55/63/47/388556347.db2.gz PKZHTKQXIGZILR-YUCVTWSNSA-N 0 3 212.293 0.265 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@]12C[C@H]1COC2(C)C ZINC000528663862 388556443 /nfs/dbraw/zinc/55/64/43/388556443.db2.gz UZIDMWWXCGBPPK-HOTUBEGUSA-N 0 3 226.320 0.653 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cccnn2)CCN1C ZINC000528658689 388556638 /nfs/dbraw/zinc/55/66/38/388556638.db2.gz UZFIMOZYBFAQBR-VHSXEESVSA-N 0 3 234.303 0.689 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cccnn2)CCN1C ZINC000528658690 388556726 /nfs/dbraw/zinc/55/67/26/388556726.db2.gz UZFIMOZYBFAQBR-ZJUUUORDSA-N 0 3 234.303 0.689 20 0 BCADHN COC[C@H](C)N1CCC(F)(F)[C@@H](CO)C1 ZINC000361417608 388560648 /nfs/dbraw/zinc/56/06/48/388560648.db2.gz XZECJHJNFFSSDA-DTWKUNHWSA-N 0 3 223.263 0.971 20 0 BCADHN CC[C@@H](C)[C@@H](CNCc1cnnn1C)OC ZINC000362974795 388561419 /nfs/dbraw/zinc/56/14/19/388561419.db2.gz BYRMKFNPMNAUHO-MWLCHTKSSA-N 0 3 226.324 0.966 20 0 BCADHN Cc1noc([C@H](C)NC(=O)[C@@H]2CCN(C)C2)n1 ZINC000521073229 388561858 /nfs/dbraw/zinc/56/18/58/388561858.db2.gz KHIXHOGFXACING-IONNQARKSA-N 0 3 238.291 0.507 20 0 BCADHN Cc1noc([C@H](C)NC(=O)[C@H]2CCN(C)C2)n1 ZINC000521073228 388562626 /nfs/dbraw/zinc/56/26/26/388562626.db2.gz KHIXHOGFXACING-CBAPKCEASA-N 0 3 238.291 0.507 20 0 BCADHN COCCN(C(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC000548825948 388564267 /nfs/dbraw/zinc/56/42/67/388564267.db2.gz MGKMIBGYQNRTBD-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CCCN(CC(=O)NCC(=O)OC)CC(C)C ZINC000521192810 388564517 /nfs/dbraw/zinc/56/45/17/388564517.db2.gz PXHHATHDOWQFET-UHFFFAOYSA-N 0 3 244.335 0.644 20 0 BCADHN CC(C)(CNCc1ccccn1)OCCO ZINC000288427006 388564550 /nfs/dbraw/zinc/56/45/50/388564550.db2.gz KKAFHQBQJSRCOT-UHFFFAOYSA-N 0 3 224.304 0.959 20 0 BCADHN C[C@H](N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C(=O)N(C)C ZINC000528752415 388566133 /nfs/dbraw/zinc/56/61/33/388566133.db2.gz KKGZIQDFVAVOFD-QHZLYTNSSA-N 0 3 228.336 0.865 20 0 BCADHN C[C@H](N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C(=O)N(C)C ZINC000528752411 388566411 /nfs/dbraw/zinc/56/64/11/388566411.db2.gz KKGZIQDFVAVOFD-HHKYUTTNSA-N 0 3 228.336 0.865 20 0 BCADHN C[C@H](CN[C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C)S(C)(=O)=O ZINC000528756563 388567195 /nfs/dbraw/zinc/56/71/95/388567195.db2.gz AWBQJAYRMSMWMN-ZKKRXERASA-N 0 3 249.376 0.821 20 0 BCADHN C[C@@H](CN[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)S(C)(=O)=O ZINC000528756562 388567402 /nfs/dbraw/zinc/56/74/02/388567402.db2.gz AWBQJAYRMSMWMN-OGBGREFGSA-N 0 3 249.376 0.821 20 0 BCADHN CCN(C)C(=O)CN[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528756830 388567474 /nfs/dbraw/zinc/56/74/74/388567474.db2.gz OLLBMDWPBYNXCC-GMOBBJLQSA-N 0 3 228.336 0.866 20 0 BCADHN C[C@H](CN[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)S(C)(=O)=O ZINC000528756558 388567493 /nfs/dbraw/zinc/56/74/93/388567493.db2.gz AWBQJAYRMSMWMN-KAMPLNKDSA-N 0 3 249.376 0.821 20 0 BCADHN CON(C)C(=O)CN[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528760130 388568020 /nfs/dbraw/zinc/56/80/20/388568020.db2.gz ISHAYNGHDYNMOC-KBIXCLLPSA-N 0 3 230.308 0.408 20 0 BCADHN CON(C)C(=O)CN[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528760126 388568362 /nfs/dbraw/zinc/56/83/62/388568362.db2.gz ISHAYNGHDYNMOC-HJGDQZAQSA-N 0 3 230.308 0.408 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@H]1CCNC1=O ZINC000528759962 388568603 /nfs/dbraw/zinc/56/86/03/388568603.db2.gz VOVGCKQZSZLCQB-GENCIFFESA-N 0 3 212.293 0.276 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N[C@@H]1CCCNC1=O ZINC000528762418 388568817 /nfs/dbraw/zinc/56/88/17/388568817.db2.gz LKHYFQHBULIMDG-RCZSTQMZSA-N 0 3 226.320 0.667 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC1OCCO1 ZINC000528762555 388569417 /nfs/dbraw/zinc/56/94/17/388569417.db2.gz LYPKUXBQUMNMTQ-LOKLDPHHSA-N 0 3 215.293 0.761 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@H]1CCCNC1=O ZINC000528762417 388569756 /nfs/dbraw/zinc/56/97/56/388569756.db2.gz LKHYFQHBULIMDG-QUARPLMYSA-N 0 3 226.320 0.667 20 0 BCADHN CC[C@H](SC)C(=O)NCCN(CC)CCO ZINC000183941569 388572113 /nfs/dbraw/zinc/57/21/13/388572113.db2.gz RXEUDHHZXYOBSR-JTQLQIEISA-N 0 3 248.392 0.558 20 0 BCADHN C[C@@H](O)CCN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528781228 388572329 /nfs/dbraw/zinc/57/23/29/388572329.db2.gz AUUDZOUBRZLSBF-YYHMBLRTSA-N 0 3 231.361 0.743 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H](C)CSC ZINC000183968653 388573793 /nfs/dbraw/zinc/57/37/93/388573793.db2.gz NQLYGCVTAPFKQN-JTQLQIEISA-N 0 3 248.392 0.416 20 0 BCADHN CCC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184288367 388576164 /nfs/dbraw/zinc/57/61/64/388576164.db2.gz VUXNBOAUFVIRLV-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@H]([C@H](C)O)C1 ZINC000252780400 388577174 /nfs/dbraw/zinc/57/71/74/388577174.db2.gz QOYOXABVVNXUDH-VHSXEESVSA-N 0 3 214.309 0.214 20 0 BCADHN CCCC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184384718 388577247 /nfs/dbraw/zinc/57/72/47/388577247.db2.gz BBWOHRQZSXOSQC-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN Cc1cncn1CC(=O)NCCN1CCC1 ZINC000528884635 388580108 /nfs/dbraw/zinc/58/01/08/388580108.db2.gz DQVDJYWZGJANTO-UHFFFAOYSA-N 0 3 222.292 0.013 20 0 BCADHN C[C@H]1NCCN(C(=O)c2csnn2)[C@H]1C ZINC000261542322 388581132 /nfs/dbraw/zinc/58/11/32/388581132.db2.gz GQLIKPAOBFYHEU-RQJHMYQMSA-N 0 3 226.305 0.361 20 0 BCADHN CCC[C@](C)(N)C(=O)Nc1c[nH]ccc1=O ZINC000649301224 388583031 /nfs/dbraw/zinc/58/30/31/388583031.db2.gz MPIJREAPXLSKKQ-NSHDSACASA-N 0 3 223.276 0.831 20 0 BCADHN CCN(CC)CC(=O)NCCCn1ccnn1 ZINC000185001433 388584935 /nfs/dbraw/zinc/58/49/35/388584935.db2.gz GULVZJKRJGWRBK-UHFFFAOYSA-N 0 3 239.323 0.126 20 0 BCADHN COC[C@H](O)CN[C@H]1COc2ccccc2C1 ZINC000328195040 388585891 /nfs/dbraw/zinc/58/58/91/388585891.db2.gz DSGKKNXJOQQQQV-VXGBXAGGSA-N 0 3 237.299 0.587 20 0 BCADHN CC1(C)OCC[C@H]1N[C@H]1CCCCNC1=O ZINC000328204963 388586038 /nfs/dbraw/zinc/58/60/38/388586038.db2.gz HNDRFYAVAFMRDO-VHSXEESVSA-N 0 3 226.320 0.812 20 0 BCADHN CSCC[C@@H](N)C(=O)N(C)CC1CC1 ZINC000124930832 388666589 /nfs/dbraw/zinc/66/65/89/388666589.db2.gz RMANTZRUIHMOAP-SECBINFHSA-N 0 3 216.350 0.935 20 0 BCADHN CC[C@H](C)CN(C)[C@H](C)C(=O)NCC(=O)OC ZINC000247747402 388669580 /nfs/dbraw/zinc/66/95/80/388669580.db2.gz YIIKMESLNAFPSH-VHSXEESVSA-N 0 3 244.335 0.642 20 0 BCADHN C[C@@H](O)CN1CCN(CCCCCO)[C@H](C)C1 ZINC000192807209 388686117 /nfs/dbraw/zinc/68/61/17/388686117.db2.gz OZMAMJFTOMKNLI-CHWSQXEVSA-N 0 3 244.379 0.536 20 0 BCADHN CN1CC=C(CNC(=O)NCc2cc[nH]n2)CC1 ZINC000538384765 388686175 /nfs/dbraw/zinc/68/61/75/388686175.db2.gz PPVAUKQQWRRDQL-UHFFFAOYSA-N 0 3 249.318 0.471 20 0 BCADHN CCCNC(=O)NC(=O)CN1CC[C@H](CC)C1 ZINC000125599977 388672763 /nfs/dbraw/zinc/67/27/63/388672763.db2.gz MULFXNGBKNHLFJ-JTQLQIEISA-N 0 3 241.335 0.954 20 0 BCADHN CC[C@H]1CCN([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000125651461 388673572 /nfs/dbraw/zinc/67/35/72/388673572.db2.gz NPFOGGAFCVUHMN-UWVGGRQHSA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@@H]1CCN([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000125651246 388673858 /nfs/dbraw/zinc/67/38/58/388673858.db2.gz NPFOGGAFCVUHMN-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN CC1(C)CCCN[C@@H]1C(=O)NCc1ncccn1 ZINC000522013784 388674822 /nfs/dbraw/zinc/67/48/22/388674822.db2.gz IKSJPJXZTLNMAN-LLVKDONJSA-N 0 3 248.330 0.871 20 0 BCADHN CC[C@@H]1CCN(CCNS(=O)(=O)CC)C1 ZINC000125805048 388678493 /nfs/dbraw/zinc/67/84/93/388678493.db2.gz QYDBRODAWAIMPO-SNVBAGLBSA-N 0 3 234.365 0.658 20 0 BCADHN CN(C)CCNC(=O)CCOC[C@H]1CCCO1 ZINC000192482969 388678773 /nfs/dbraw/zinc/67/87/73/388678773.db2.gz DBPYVOFCMVRRFE-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN C[C@H](NC(=O)C(C)(C)N)C1CCOCC1 ZINC000225523283 388680160 /nfs/dbraw/zinc/68/01/60/388680160.db2.gz VGQWBZWFDMTROJ-QMMMGPOBSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@@H](NC[C@H]1CCCN1C)c1ccc(=O)[nH]n1 ZINC000552252074 388686573 /nfs/dbraw/zinc/68/65/73/388686573.db2.gz AKFRRTJXSHGOPR-NXEZZACHSA-N 0 3 236.319 0.927 20 0 BCADHN CC(C)n1cc(CNC[C@@H]2COCCN2)cn1 ZINC000530180638 388622430 /nfs/dbraw/zinc/62/24/30/388622430.db2.gz BAHAFCBSMDJLSZ-GFCCVEGCSA-N 0 3 238.335 0.542 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2nncs2)C1 ZINC000530183442 388623927 /nfs/dbraw/zinc/62/39/27/388623927.db2.gz CLRQHMDRAAOXMJ-QMMMGPOBSA-N 0 3 240.332 0.704 20 0 BCADHN Cn1cncc1CNCC(C)(C)OCCO ZINC000288443580 388627144 /nfs/dbraw/zinc/62/71/44/388627144.db2.gz MDQHCFXAGUVELV-UHFFFAOYSA-N 0 3 227.308 0.297 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1)c1ccccn1 ZINC000530218600 388632274 /nfs/dbraw/zinc/63/22/74/388632274.db2.gz DFPMIKCHKFOIIK-MNOVXSKESA-N 0 3 221.304 0.721 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1)c1ccc(F)cn1 ZINC000530224479 388634277 /nfs/dbraw/zinc/63/42/77/388634277.db2.gz KFYNNHCJBCQLIV-GXSJLCMTSA-N 0 3 239.294 0.860 20 0 BCADHN C[C@H]1CCCN(CC(=O)NC(N)=O)[C@H]1C ZINC000246487183 388637518 /nfs/dbraw/zinc/63/75/18/388637518.db2.gz AJJKTMSZBFHMGC-YUMQZZPRSA-N 0 3 213.281 0.302 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)N[C@H]1CCOC1 ZINC000246470849 388638121 /nfs/dbraw/zinc/63/81/21/388638121.db2.gz FEHLJCCCLHNRAH-QWRGUYRKSA-N 0 3 241.335 0.559 20 0 BCADHN Cn1ccc(CNC[C@@H]2COCCN2)c1 ZINC000530246143 388638906 /nfs/dbraw/zinc/63/89/06/388638906.db2.gz CXNWPKQSBCQNFC-LLVKDONJSA-N 0 3 209.293 0.103 20 0 BCADHN CC[C@@H](N[C@@H](COC)C(C)C)C(N)=O ZINC000083399942 388639311 /nfs/dbraw/zinc/63/93/11/388639311.db2.gz VPZKEWZGPHJFBK-BDAKNGLRSA-N 0 3 202.298 0.511 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCOC1(C)C ZINC000328374678 388641999 /nfs/dbraw/zinc/64/19/99/388641999.db2.gz JYOZVURITUBNID-ZJUUUORDSA-N 0 3 249.376 0.967 20 0 BCADHN CSCC(=O)Nc1cnn(CCN(C)C)c1 ZINC000061635437 388642739 /nfs/dbraw/zinc/64/27/39/388642739.db2.gz PXVMTPGIVCYRNG-UHFFFAOYSA-N 0 3 242.348 0.746 20 0 BCADHN O=C1NCCC[C@@H]1N[C@@H]1COc2ccccc2C1 ZINC000328409104 388642923 /nfs/dbraw/zinc/64/29/23/388642923.db2.gz XEVJVEZQLCRTKG-RYUDHWBXSA-N 0 3 246.310 0.858 20 0 BCADHN C[C@H](N[C@H]1CCOC1(C)C)C(=O)N(C)C ZINC000328458767 388643509 /nfs/dbraw/zinc/64/35/09/388643509.db2.gz SVDGOCMABYJTOJ-IUCAKERBSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@@H](N[C@@H]1CCOC1(C)C)C(=O)N(C)C ZINC000328458768 388643791 /nfs/dbraw/zinc/64/37/91/388643791.db2.gz SVDGOCMABYJTOJ-RKDXNWHRSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H](O)[C@@H]1CCN(CCOCC(F)F)C1 ZINC000189879021 388643917 /nfs/dbraw/zinc/64/39/17/388643917.db2.gz HHEWULKMAHETOD-DTWKUNHWSA-N 0 3 223.263 0.971 20 0 BCADHN C[C@H](O)[C@H]1CCN(CCOCC(F)F)C1 ZINC000189879060 388644840 /nfs/dbraw/zinc/64/48/40/388644840.db2.gz HHEWULKMAHETOD-IUCAKERBSA-N 0 3 223.263 0.971 20 0 BCADHN C[C@@H](C(=O)N(C)C)N(C)C[C@H]1CCCOC1 ZINC000246584893 388645627 /nfs/dbraw/zinc/64/56/27/388645627.db2.gz SJRBOZQXTAWSBX-WDEREUQCSA-N 0 3 228.336 0.822 20 0 BCADHN C[C@H](O)CN(CCOCC(F)F)[C@@H](C)CO ZINC000190073372 388647683 /nfs/dbraw/zinc/64/76/83/388647683.db2.gz VTYVBCPBWYXHGC-IUCAKERBSA-N 0 3 241.278 0.332 20 0 BCADHN CO[C@H](C)CNC(=O)[C@H]1CCCCN1 ZINC000223722210 388656793 /nfs/dbraw/zinc/65/67/93/388656793.db2.gz RINNWUUPHXYLAC-RKDXNWHRSA-N 0 3 200.282 0.280 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC[C@H](C)OC ZINC000223762360 388658173 /nfs/dbraw/zinc/65/81/73/388658173.db2.gz UDHKUONZQFGYHK-VGMNWLOBSA-N 0 3 202.298 0.511 20 0 BCADHN C[C@H]1CC(O)C[C@H](C)N1CC(=O)N1CCCC1 ZINC000191139776 388660413 /nfs/dbraw/zinc/66/04/13/388660413.db2.gz RUWJFGVBXIDOKO-QWRGUYRKSA-N 0 3 240.347 0.843 20 0 BCADHN Cc1nc(CCN(C)C[C@H]2CCOC2)no1 ZINC000552028618 388662398 /nfs/dbraw/zinc/66/23/98/388662398.db2.gz PZSIMRRPABLHMG-SNVBAGLBSA-N 0 3 225.292 0.889 20 0 BCADHN C[C@H]1CCN(CCNC(=O)COC(F)F)C1 ZINC000552066021 388663972 /nfs/dbraw/zinc/66/39/72/388663972.db2.gz WEPJSHWPIPUXHU-QMMMGPOBSA-N 0 3 236.262 0.684 20 0 BCADHN O=C(CN[C@H]1CCSC1)NCc1ccco1 ZINC000128110619 388738924 /nfs/dbraw/zinc/73/89/24/388738924.db2.gz PKUOVAMUBCFITM-VIFPVBQESA-N 0 3 240.328 0.991 20 0 BCADHN CCN(CC)CC(=O)NC[C@H]1CCCOC1 ZINC000194654524 388739069 /nfs/dbraw/zinc/73/90/69/388739069.db2.gz AAVBMKXHHOXNHI-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CS[C@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000194700890 388740021 /nfs/dbraw/zinc/74/00/21/388740021.db2.gz KCIFQBRMAWQGEY-BDAKNGLRSA-N 0 3 216.350 0.948 20 0 BCADHN CCO[C@H](C)C(=O)NC[C@H]1CCCN1C ZINC000194699724 388740038 /nfs/dbraw/zinc/74/00/38/388740038.db2.gz FPXQOZLOVNPZJO-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN COCCOCCC(=O)NC[C@@H]1CCCN1C ZINC000194687878 388740059 /nfs/dbraw/zinc/74/00/59/388740059.db2.gz XKBSZIRBYRHJKU-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CS[C@H](C)C(=O)NC[C@H]1CCCN1C ZINC000194700919 388740077 /nfs/dbraw/zinc/74/00/77/388740077.db2.gz KCIFQBRMAWQGEY-RKDXNWHRSA-N 0 3 216.350 0.948 20 0 BCADHN CCc1cc(C(=O)NC[C@@H]2CCCN2C)[nH]n1 ZINC000194704410 388740090 /nfs/dbraw/zinc/74/00/90/388740090.db2.gz BMEODUIFSBOXCL-JTQLQIEISA-N 0 3 236.319 0.796 20 0 BCADHN COc1ncccc1C(=O)NC[C@@H]1CCCN1C ZINC000194708684 388741063 /nfs/dbraw/zinc/74/10/63/388741063.db2.gz LBGQASCCAHPUMG-JTQLQIEISA-N 0 3 249.314 0.914 20 0 BCADHN CSCCC(=O)NC[C@H]1CCCN1C ZINC000194710742 388741247 /nfs/dbraw/zinc/74/12/47/388741247.db2.gz IFGZLZOQSXMKQA-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN Cc1cnc(C(=O)NC[C@@H]2CCCN2C)cn1 ZINC000194734891 388742504 /nfs/dbraw/zinc/74/25/04/388742504.db2.gz KLDAIIMRMZQJME-JTQLQIEISA-N 0 3 234.303 0.609 20 0 BCADHN CN(CCN1CCCC1)CC(=O)N(C)C1CC1 ZINC000089899540 388742711 /nfs/dbraw/zinc/74/27/11/388742711.db2.gz KJUUVPIZOYHJLA-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000227328165 388747921 /nfs/dbraw/zinc/74/79/21/388747921.db2.gz MDVHGTSSERRUHG-LNFKQOIKSA-N 0 3 228.336 0.780 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccccc1F ZINC000227344672 388748606 /nfs/dbraw/zinc/74/86/06/388748606.db2.gz SSYKINGXLRWQCR-VIFPVBQESA-N 0 3 212.224 0.738 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000227348315 388748662 /nfs/dbraw/zinc/74/86/62/388748662.db2.gz RZWSHXYHGBIODX-KXUCPTDWSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H](C)c1cccs1 ZINC000227349629 388748816 /nfs/dbraw/zinc/74/88/16/388748816.db2.gz QJONVRZWERODRT-JGVFFNPUSA-N 0 3 228.317 0.899 20 0 BCADHN CO[C@H](CN)C(=O)N(C)c1ccccc1 ZINC000227341806 388748983 /nfs/dbraw/zinc/74/89/83/388748983.db2.gz YISDADYMDYONHO-SNVBAGLBSA-N 0 3 208.261 0.623 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)Cc1ccco1 ZINC000227349489 388749037 /nfs/dbraw/zinc/74/90/37/388749037.db2.gz HFZSHWPTNRPJNJ-VIFPVBQESA-N 0 3 212.249 0.212 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccccc1O ZINC000227385531 388749767 /nfs/dbraw/zinc/74/97/67/388749767.db2.gz KJLLWTHKOVADMB-SECBINFHSA-N 0 3 210.233 0.304 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc(Cl)nc1 ZINC000227397031 388750207 /nfs/dbraw/zinc/75/02/07/388750207.db2.gz KHBSEEFXHZKDRH-ZETCQYMHSA-N 0 3 229.667 0.647 20 0 BCADHN CO[C@H](CN)C(=O)N(C)CC1CCCC1 ZINC000227383852 388750261 /nfs/dbraw/zinc/75/02/61/388750261.db2.gz FTHIBROMTHBTGI-SNVBAGLBSA-N 0 3 214.309 0.609 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@@H](C(C)C)C1 ZINC000227402680 388750316 /nfs/dbraw/zinc/75/03/16/388750316.db2.gz MYCIMCDESDDKNV-ZJUUUORDSA-N 0 3 214.309 0.465 20 0 BCADHN COCCN(CCO)CCCSC ZINC000128346984 388750402 /nfs/dbraw/zinc/75/04/02/388750402.db2.gz IJPZZGNNCDSJPA-UHFFFAOYSA-N 0 3 207.339 0.680 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1ccc(C)s1 ZINC000227380114 388750529 /nfs/dbraw/zinc/75/05/29/388750529.db2.gz YRTWCHKRWARUAI-VIFPVBQESA-N 0 3 228.317 0.646 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@H](C(C)C)C1 ZINC000227402701 388750572 /nfs/dbraw/zinc/75/05/72/388750572.db2.gz MYCIMCDESDDKNV-VHSXEESVSA-N 0 3 214.309 0.465 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000227396518 388750652 /nfs/dbraw/zinc/75/06/52/388750652.db2.gz MSHLXZYBIBTJTP-OPRDCNLKSA-N 0 3 212.293 0.219 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](CN)OC)CCS1 ZINC000227408470 388750982 /nfs/dbraw/zinc/75/09/82/388750982.db2.gz LLGMVBSURHPSBA-IUCAKERBSA-N 0 3 232.349 0.314 20 0 BCADHN CO[C@H](CN)C(=O)NCC1CCSCC1 ZINC000227405719 388751529 /nfs/dbraw/zinc/75/15/29/388751529.db2.gz IFSOIIDXHPXFTC-SECBINFHSA-N 0 3 232.349 0.220 20 0 BCADHN CC[C@H]1CN(C(=O)CN(CC)CC)CCO1 ZINC000068031586 388752849 /nfs/dbraw/zinc/75/28/49/388752849.db2.gz VNHRUQHZFLJHLW-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN c1cnc(NCCNCC2=CCCOC2)cn1 ZINC000538412894 388686951 /nfs/dbraw/zinc/68/69/51/388686951.db2.gz OZOWKXUYIOLPNE-UHFFFAOYSA-N 0 3 234.303 0.825 20 0 BCADHN C[C@@H](NC[C@@H]1CCCN1C)c1ccc(=O)[nH]n1 ZINC000552252077 388687042 /nfs/dbraw/zinc/68/70/42/388687042.db2.gz AKFRRTJXSHGOPR-ZJUUUORDSA-N 0 3 236.319 0.927 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000126097098 388688097 /nfs/dbraw/zinc/68/80/97/388688097.db2.gz AQTZYWFVUWEKQO-XHNCKOQMSA-N 0 3 249.332 0.055 20 0 BCADHN CCCN(C(=O)c1c[nH]cn1)[C@H]1CCN(C)C1 ZINC000648999620 388690844 /nfs/dbraw/zinc/69/08/44/388690844.db2.gz GEGADQATDYMFKX-JTQLQIEISA-N 0 3 236.319 0.966 20 0 BCADHN CCCN(C(=O)c1cnc[nH]1)[C@H]1CCN(C)C1 ZINC000648999620 388690845 /nfs/dbraw/zinc/69/08/45/388690845.db2.gz GEGADQATDYMFKX-JTQLQIEISA-N 0 3 236.319 0.966 20 0 BCADHN CC(C)CC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000552309714 388691519 /nfs/dbraw/zinc/69/15/19/388691519.db2.gz TXNXVMMSAOQMCP-JTQLQIEISA-N 0 3 243.351 0.215 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000552328330 388694296 /nfs/dbraw/zinc/69/42/96/388694296.db2.gz SFCXRMMLWAQHAN-HOSYDEDBSA-N 0 3 240.347 0.745 20 0 BCADHN Cn1cc(NC(=O)NC[C@@H]2CCCN2C)cn1 ZINC000195131112 388697603 /nfs/dbraw/zinc/69/76/03/388697603.db2.gz OFLYEEUZNWIQKF-JTQLQIEISA-N 0 3 237.307 0.636 20 0 BCADHN CC[C@@H]1CCCN([C@H](C)C(=O)NC(=O)NC)C1 ZINC000248905774 388699015 /nfs/dbraw/zinc/69/90/15/388699015.db2.gz YXNIKBJBIFADCG-NXEZZACHSA-N 0 3 241.335 0.953 20 0 BCADHN CC[C@H]1CCCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000248899582 388699035 /nfs/dbraw/zinc/69/90/35/388699035.db2.gz PVABGYMEBBKFTD-BDAKNGLRSA-N 0 3 227.308 0.692 20 0 BCADHN C[C@H](CO)N(CCOC(C)(C)C)C[C@H](C)O ZINC000248923060 388699513 /nfs/dbraw/zinc/69/95/13/388699513.db2.gz LELIQUAJKSRCQG-MNOVXSKESA-N 0 3 233.352 0.865 20 0 BCADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCN1CCCC1=O ZINC000248947855 388700847 /nfs/dbraw/zinc/70/08/47/388700847.db2.gz CQCXCPMSERXZDS-ZSBIGDGJSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H](OC[C@@H]1CCCO1)C(=O)NCCN(C)C ZINC000195207733 388701039 /nfs/dbraw/zinc/70/10/39/388701039.db2.gz HRDUZMLOTCBFSH-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN CNC(=O)[C@H]1CCCN1CC[C@H]1CCCO1 ZINC000248961368 388701410 /nfs/dbraw/zinc/70/14/10/388701410.db2.gz GLICUGPTMQLFFM-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN CS[C@@H](C)C(=O)NCCOCCN(C)C ZINC000538649951 388704895 /nfs/dbraw/zinc/70/48/95/388704895.db2.gz MJXAWVOVKMJSIY-VIFPVBQESA-N 0 3 234.365 0.432 20 0 BCADHN Cc1nn(C)cc1CN(C[C@@H](C)O)[C@H](C)CO ZINC000249064957 388706983 /nfs/dbraw/zinc/70/69/83/388706983.db2.gz INADBCRAJVCBEH-NXEZZACHSA-N 0 3 241.335 0.292 20 0 BCADHN CN(C)CCS[C@@H]1CCCN(C)C1=O ZINC000538705899 388707278 /nfs/dbraw/zinc/70/72/78/388707278.db2.gz GQGHUEHTUGFGCQ-SECBINFHSA-N 0 3 216.350 0.902 20 0 BCADHN CCC[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000552439522 388709628 /nfs/dbraw/zinc/70/96/28/388709628.db2.gz ORFUOTGCRGZCDS-DCAQKATOSA-N 0 3 228.336 0.556 20 0 BCADHN COC[C@@H](C)CN1CCCC[C@H]1C(N)=O ZINC000249187212 388711453 /nfs/dbraw/zinc/71/14/53/388711453.db2.gz LJLNSDYZXAOJID-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN COC[C@H](O)CN1C[C@@H](C)S[C@@H](C)C1 ZINC000127135849 388716138 /nfs/dbraw/zinc/71/61/38/388716138.db2.gz LXJONJUVIRGRRW-KXUCPTDWSA-N 0 3 219.350 0.820 20 0 BCADHN OC[C@H]1CCN(C[C@@H](O)CC(F)(F)F)C1 ZINC000249300437 388717119 /nfs/dbraw/zinc/71/71/19/388717119.db2.gz NKZZOFGOMAHOQL-YUMQZZPRSA-N 0 3 227.226 0.614 20 0 BCADHN COCCO[C@@H]1CCN([C@H](C)COC)C1 ZINC000249374012 388717765 /nfs/dbraw/zinc/71/77/65/388717765.db2.gz NSVCLYDJRNYMBS-GHMZBOCLSA-N 0 3 217.309 0.759 20 0 BCADHN CCCCN1CCN(CCO)[C@@H](C)C1 ZINC000249537034 388726483 /nfs/dbraw/zinc/72/64/83/388726483.db2.gz CSZUNLPDFFPURM-NSHDSACASA-N 0 3 200.326 0.785 20 0 BCADHN COCCCN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249558019 388726838 /nfs/dbraw/zinc/72/68/38/388726838.db2.gz KOKIDYMIEFJEDL-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@H]1CCN(CCCCO)[C@@H](C(N)=O)C1 ZINC000249531991 388726866 /nfs/dbraw/zinc/72/68/66/388726866.db2.gz BCMXFPGCCWNADU-VHSXEESVSA-N 0 3 214.309 0.345 20 0 BCADHN CO[C@@H]1CCCN(CCN2CCOC[C@H]2C)C1 ZINC000249627474 388731341 /nfs/dbraw/zinc/73/13/41/388731341.db2.gz UJJQNFHAQMZXKP-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN CC(C)C[C@@H](C)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000552625309 388733213 /nfs/dbraw/zinc/73/32/13/388733213.db2.gz HFHIZVXLMPREAL-GMTAPVOTSA-N 0 3 228.336 0.996 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCC[C@@H](C)CC1 ZINC000249823246 388733594 /nfs/dbraw/zinc/73/35/94/388733594.db2.gz HVVSUBSDJHVEHI-RKDXNWHRSA-N 0 3 227.308 0.692 20 0 BCADHN CN(CCc1cnccn1)CCn1cncn1 ZINC000540047870 388793065 /nfs/dbraw/zinc/79/30/65/388793065.db2.gz PAIPUFJBEIEXDD-UHFFFAOYSA-N 0 3 232.291 0.243 20 0 BCADHN COC[C@H](C)CN1CCO[C@@]2(CCOC2)C1 ZINC000253294400 388813683 /nfs/dbraw/zinc/81/36/83/388813683.db2.gz GXNAAMOOQHCQEZ-NEPJUHHUSA-N 0 3 229.320 0.760 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCc1cc[nH]n1 ZINC000554331233 388810566 /nfs/dbraw/zinc/81/05/66/388810566.db2.gz YEQSWVYCBJBPJC-QMMMGPOBSA-N 0 3 225.296 0.159 20 0 BCADHN C[C@H]1OCC[C@H]1NC[C@@H](O)C(F)(F)F ZINC000227826861 388760131 /nfs/dbraw/zinc/76/01/31/388760131.db2.gz UUONINLBPDQSGY-FSDSQADBSA-N 0 3 213.199 0.677 20 0 BCADHN CSC1(CN[C@H]2CCS(=O)(=O)C2)CC1 ZINC000228090247 388769257 /nfs/dbraw/zinc/76/92/57/388769257.db2.gz GKLMJMQXJYSTDA-QMMMGPOBSA-N 0 3 235.374 0.659 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@H]1C[C@H](C)O ZINC000252698521 388772236 /nfs/dbraw/zinc/77/22/36/388772236.db2.gz NMYVRDQRGHBARM-YIZRAAEISA-N 0 3 200.282 0.096 20 0 BCADHN CCN1CC[C@H](CNC(=O)[C@H]2CCC(=O)C2)C1 ZINC000648743688 388781590 /nfs/dbraw/zinc/78/15/90/388781590.db2.gz OBPKFPULZAUYFP-MNOVXSKESA-N 0 3 238.331 0.814 20 0 BCADHN C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2nnc[n-]2)C1 ZINC000553578775 388783602 /nfs/dbraw/zinc/78/36/02/388783602.db2.gz XPDAASKVIQPRPI-SECBINFHSA-N 0 3 237.307 0.105 20 0 BCADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2nnc[n-]2)C1 ZINC000553578775 388783606 /nfs/dbraw/zinc/78/36/06/388783606.db2.gz XPDAASKVIQPRPI-SECBINFHSA-N 0 3 237.307 0.105 20 0 BCADHN CO[C@@H]1CN(CCCNC(C)=O)CC[C@H]1C ZINC000253340955 388814374 /nfs/dbraw/zinc/81/43/74/388814374.db2.gz MNUSXIFSAHZYFY-ZYHUDNBSSA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649078309 388785873 /nfs/dbraw/zinc/78/58/73/388785873.db2.gz FXMQEYGRXCSHII-SNVBAGLBSA-N 0 3 241.335 0.221 20 0 BCADHN CCN1CCN(CC[C@H](C)O)[C@@H](C)C1 ZINC000250206324 388786246 /nfs/dbraw/zinc/78/62/46/388786246.db2.gz CAZBZIHBVIEAHE-QWRGUYRKSA-N 0 3 200.326 0.783 20 0 BCADHN Nc1cc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)ccn1 ZINC000252869540 388789609 /nfs/dbraw/zinc/78/96/09/388789609.db2.gz NTHDYZYNRSYVFI-SRVKXCTJSA-N 0 3 233.315 0.867 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN(C)C1 ZINC000539943761 388789588 /nfs/dbraw/zinc/78/95/88/388789588.db2.gz YLDJVLMPPUHJPU-TUAOUCFPSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H]1CCN([C@@H]2CC(=O)NC2=O)CC1(C)C ZINC000572539198 388789828 /nfs/dbraw/zinc/78/98/28/388789828.db2.gz YTCZDMJWZAZIJV-DTWKUNHWSA-N 0 3 224.304 0.770 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)Cn2ccnc2)CN1C1CC1 ZINC000555228183 388843684 /nfs/dbraw/zinc/84/36/84/388843684.db2.gz UYGDGDXKFIIGHQ-GHMZBOCLSA-N 0 3 248.330 0.625 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC[C@@H]([C@@H](C)O)C1 ZINC000554499114 388816557 /nfs/dbraw/zinc/81/65/57/388816557.db2.gz XZWWUFXAYFJQSO-CKYFFXLPSA-N 0 3 245.319 0.003 20 0 BCADHN CC[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC000554545981 388821195 /nfs/dbraw/zinc/82/11/95/388821195.db2.gz GYBCKVVGUBIJAN-MXWKQRLJSA-N 0 3 226.320 0.310 20 0 BCADHN CNCC(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000230243531 388821923 /nfs/dbraw/zinc/82/19/23/388821923.db2.gz SEQQIXQCLTWAJY-IUCAKERBSA-N 0 3 200.282 0.089 20 0 BCADHN COC[C@H]1CCN([C@@H]2CCCN(C)C2=O)C1 ZINC000540908121 388823413 /nfs/dbraw/zinc/82/34/13/388823413.db2.gz UZABIZUDHVWCFQ-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN COC[C@H]1CCN([C@H]2CCCN(C)C2=O)C1 ZINC000540908120 388824157 /nfs/dbraw/zinc/82/41/57/388824157.db2.gz UZABIZUDHVWCFQ-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)[C@H]1CCCN(C)C1=O ZINC000540911226 388825566 /nfs/dbraw/zinc/82/55/66/388825566.db2.gz KIXRWLPARCOMGV-SRVKXCTJSA-N 0 3 240.347 0.700 20 0 BCADHN COCC1(C(=O)NCCN2CC[C@H](C)C2)CC1 ZINC000540908578 388826659 /nfs/dbraw/zinc/82/66/59/388826659.db2.gz PWHIUJSMRYPJRW-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN C[C@H]1CCN(CCNC(=O)N2CCOCC2)C1 ZINC000540935284 388827331 /nfs/dbraw/zinc/82/73/31/388827331.db2.gz ZODKKDMGYALKLA-NSHDSACASA-N 0 3 241.335 0.370 20 0 BCADHN CCCCOCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000554740220 388828327 /nfs/dbraw/zinc/82/83/27/388828327.db2.gz CNYWAARNIYMLGZ-RYUDHWBXSA-N 0 3 231.336 0.478 20 0 BCADHN CCCCOCCN1CC[C@H](CO)[C@H](O)C1 ZINC000554740221 388829430 /nfs/dbraw/zinc/82/94/30/388829430.db2.gz CNYWAARNIYMLGZ-VXGBXAGGSA-N 0 3 231.336 0.478 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)C1CCOCC1 ZINC000225523633 388832033 /nfs/dbraw/zinc/83/20/33/388832033.db2.gz ZVJBLEGBHWUVLQ-SFYZADRCSA-N 0 3 200.282 0.265 20 0 BCADHN CC[C@@H](N)C(=O)NCCCC(=O)N(CC)CC ZINC000129349675 388833567 /nfs/dbraw/zinc/83/35/67/388833567.db2.gz LINLZZOMXYKUID-SNVBAGLBSA-N 0 3 243.351 0.489 20 0 BCADHN C[C@@H]1CN(Cc2cn[nH]c2)C[C@H](C)N1CCO ZINC000648756460 388835589 /nfs/dbraw/zinc/83/55/89/388835589.db2.gz GTBLODBCVQAZQH-PHIMTYICSA-N 0 3 238.335 0.297 20 0 BCADHN CC(C)N(C)CC(=O)N1CCN(C)C(C)(C)C1 ZINC000555530837 388853599 /nfs/dbraw/zinc/85/35/99/388853599.db2.gz VLHKSBMLASFGBJ-UHFFFAOYSA-N 0 3 241.379 0.879 20 0 BCADHN CCN1CC[C@H]2OCCN(C[C@@H](C)O)[C@H]2C1 ZINC000555585704 388855212 /nfs/dbraw/zinc/85/52/12/388855212.db2.gz KKTFNGPRAQMFNG-GRYCIOLGSA-N 0 3 228.336 0.162 20 0 BCADHN Cn1cc(O)nc1Nc1ncnc2c1cnn2C ZINC000163086599 388859512 /nfs/dbraw/zinc/85/95/12/388859512.db2.gz MODPEJHDTVYYIU-UHFFFAOYSA-N 0 3 245.246 0.546 20 0 BCADHN CC[C@H](O)CN1CCC[C@H](N2CCCC2=O)C1 ZINC000304067683 388862925 /nfs/dbraw/zinc/86/29/25/388862925.db2.gz ULMLFELEVIJZCS-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN COC1(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000648776743 388863273 /nfs/dbraw/zinc/86/32/73/388863273.db2.gz QMAMTZQRHCULPV-NSHDSACASA-N 0 3 238.331 0.766 20 0 BCADHN COC1(C(=O)NC[C@H]2CCCN(C)C2)CC1 ZINC000648776875 388864041 /nfs/dbraw/zinc/86/40/41/388864041.db2.gz XFFQISOHKOGYJZ-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN COCC[C@@]1(NCC(=O)NC(C)C)CCOC1 ZINC000556054776 388865214 /nfs/dbraw/zinc/86/52/14/388865214.db2.gz QTOVWXZOIZTEGL-GFCCVEGCSA-N 0 3 244.335 0.296 20 0 BCADHN COCCOCCN1CCN(C)C(C)(C)C1 ZINC000556085385 388866828 /nfs/dbraw/zinc/86/68/28/388866828.db2.gz VVHPGYPWSASCCK-UHFFFAOYSA-N 0 3 230.352 0.675 20 0 BCADHN COCCN1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000129470564 388845644 /nfs/dbraw/zinc/84/56/44/388845644.db2.gz VMHRHPMUOMGZIH-TXEJJXNPSA-N 0 3 230.352 0.674 20 0 BCADHN COC1(C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000648763921 388846111 /nfs/dbraw/zinc/84/61/11/388846111.db2.gz OTGSFTXEJOZLPY-NSHDSACASA-N 0 3 238.331 0.862 20 0 BCADHN COC1(C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000648763920 388847146 /nfs/dbraw/zinc/84/71/46/388847146.db2.gz OTGSFTXEJOZLPY-LLVKDONJSA-N 0 3 238.331 0.862 20 0 BCADHN CC(C)[C@@H](C(=O)N1CN(C)C(=O)[C@H]1C)N(C)C ZINC000649159460 388882393 /nfs/dbraw/zinc/88/23/93/388882393.db2.gz OKLXWGGAAJFSPS-ZJUUUORDSA-N 0 3 241.335 0.219 20 0 BCADHN N[C@H]1C[C@@H]2CN(CCCCCF)CCN2C1=O ZINC000564668461 388883209 /nfs/dbraw/zinc/88/32/09/388883209.db2.gz SZEVIXFVYSGFTO-MNOVXSKESA-N 0 3 243.326 0.370 20 0 BCADHN CC[C@H](OC)C(=O)NCCN1CC[C@@H](C)C1 ZINC000564699798 388885754 /nfs/dbraw/zinc/88/57/54/388885754.db2.gz HWPQFSXHVVMNHT-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN C[N@H+](CCCCO)Cc1ncccc1[O-] ZINC000564757268 388887513 /nfs/dbraw/zinc/88/75/13/388887513.db2.gz DBURLVMOALWDMF-UHFFFAOYSA-N 0 3 210.277 0.992 20 0 BCADHN C[N@@H+](CCCCO)Cc1ncccc1[O-] ZINC000564757268 388887517 /nfs/dbraw/zinc/88/75/17/388887517.db2.gz DBURLVMOALWDMF-UHFFFAOYSA-N 0 3 210.277 0.992 20 0 BCADHN CN(C)[C@H]1CN(C(=O)c2ccco2)C[C@@H]1O ZINC000564788874 388890283 /nfs/dbraw/zinc/89/02/83/388890283.db2.gz GAMKXILMJCPKTP-IUCAKERBSA-N 0 3 224.260 0.027 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000564837431 388892570 /nfs/dbraw/zinc/89/25/70/388892570.db2.gz RSJPIUADBAWFPG-HBNTYKKESA-N 0 3 244.335 0.280 20 0 BCADHN NC1(C(=O)NCCC[C@H]2CCCCO2)CC1 ZINC000564837330 388892753 /nfs/dbraw/zinc/89/27/53/388892753.db2.gz CKPLVAYMKZJVFW-SNVBAGLBSA-N 0 3 226.320 0.943 20 0 BCADHN C[C@@H](CNC1CC(C)(F)C1)S(C)(=O)=O ZINC000564858673 388895646 /nfs/dbraw/zinc/89/56/46/388895646.db2.gz CXCMGFAUVKTBBG-UEJVZZJDSA-N 0 3 223.313 0.900 20 0 BCADHN [NH3+]CCCCC(=O)Nc1ccncc1[O-] ZINC000564922174 388898459 /nfs/dbraw/zinc/89/84/59/388898459.db2.gz VPLLLZMWBUBOMB-UHFFFAOYSA-N 0 3 209.249 0.277 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@H](C)N)c1ccsc1 ZINC000564993041 388902015 /nfs/dbraw/zinc/90/20/15/388902015.db2.gz NEHQLIYZRSFROW-XPUUQOCRSA-N 0 3 242.300 0.426 20 0 BCADHN CC1CCN(CCN2C(=O)CCC2=O)CC1 ZINC000129921112 388876500 /nfs/dbraw/zinc/87/65/00/388876500.db2.gz RJNFQYUETKDVKF-UHFFFAOYSA-N 0 3 224.304 0.867 20 0 BCADHN CC[C@H](N)C(=O)N1CCC(O)(CC)CC1 ZINC000564580073 388878740 /nfs/dbraw/zinc/87/87/40/388878740.db2.gz JJJXENGWUACOIH-VIFPVBQESA-N 0 3 214.309 0.487 20 0 BCADHN CN(CCNC(=O)C1(N)CC1)Cc1ccccc1 ZINC000262153065 388906906 /nfs/dbraw/zinc/90/69/06/388906906.db2.gz RWODPFPAQJMDJE-UHFFFAOYSA-N 0 3 247.342 0.726 20 0 BCADHN CCN(C)CCNC(=O)CC1(COC)CC1 ZINC000565013586 388908353 /nfs/dbraw/zinc/90/83/53/388908353.db2.gz SQQJEWUWDZTQOJ-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@H](CN1C[C@H](O)[C@@H](N(C)C)C1)C(F)(F)F ZINC000565175156 388921265 /nfs/dbraw/zinc/92/12/65/388921265.db2.gz VAFOIHBKOJVIIG-VGMNWLOBSA-N 0 3 240.269 0.792 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCC(=O)NC ZINC000565299336 388936454 /nfs/dbraw/zinc/93/64/54/388936454.db2.gz BQUIKOMKLNKYOV-SNVBAGLBSA-N 0 3 213.325 0.149 20 0 BCADHN C[C@@H](CC(N)=O)NC(=O)CN1CCC(C)(C)C1 ZINC000565190910 388922568 /nfs/dbraw/zinc/92/25/68/388922568.db2.gz YHJQULQYGIYWOF-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN OCCOCCN1CC[C@@H](c2ccncc2)C1 ZINC000565311597 388936528 /nfs/dbraw/zinc/93/65/28/388936528.db2.gz DTTDHRMTBBGYFX-CYBMUJFWSA-N 0 3 236.315 0.880 20 0 BCADHN CCN(CCCO)C(=O)CN1CC[C@@H](C)C1 ZINC000565191623 388924075 /nfs/dbraw/zinc/92/40/75/388924075.db2.gz PTYJVBPEXHBDLS-LLVKDONJSA-N 0 3 228.336 0.559 20 0 BCADHN C[C@H]1CCN(CC(=O)NCC2=CCCOC2)C1 ZINC000565194983 388924240 /nfs/dbraw/zinc/92/42/40/388924240.db2.gz BSWZRIKWXRLHGH-NSHDSACASA-N 0 3 238.331 0.791 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC(CF)C2)C1 ZINC000565208246 388925194 /nfs/dbraw/zinc/92/51/94/388925194.db2.gz LRMNOLQWCXHWMI-SECBINFHSA-N 0 3 214.284 0.756 20 0 BCADHN OC[C@@H]1CC[C@H](NC[C@H](O)C(F)(F)F)C1 ZINC000565304659 388936634 /nfs/dbraw/zinc/93/66/34/388936634.db2.gz VMDUWMPMPIELCT-CSMHCCOUSA-N 0 3 227.226 0.660 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@@H](C)N2CC(C)C2)C1 ZINC000565206364 388926212 /nfs/dbraw/zinc/92/62/12/388926212.db2.gz BPXSBYDRGJZNCK-VXGBXAGGSA-N 0 3 239.363 0.537 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H](CCO)CC(C)C ZINC000565218232 388927018 /nfs/dbraw/zinc/92/70/18/388927018.db2.gz PGJSHLSIVVYFQW-WDEREUQCSA-N 0 3 230.352 0.755 20 0 BCADHN NC(=O)CCN[C@H](CO)c1ccc(F)cc1 ZINC000565598678 388957801 /nfs/dbraw/zinc/95/78/01/388957801.db2.gz VDKWJTHLQYJLBY-SNVBAGLBSA-N 0 3 226.251 0.324 20 0 BCADHN COC[C@H](O)CN1CC[C@@H](OC(C)C)C1 ZINC000565713598 388964619 /nfs/dbraw/zinc/96/46/19/388964619.db2.gz JYRDBNLFEROKEY-GHMZBOCLSA-N 0 3 217.309 0.493 20 0 BCADHN CN[C@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000565724437 388965921 /nfs/dbraw/zinc/96/59/21/388965921.db2.gz ONYQDGMMQYBMRT-NSHDSACASA-N 0 3 232.283 0.576 20 0 BCADHN O=C(Cn1ccnc1)N[C@H]1CCN(C2CC2)C1 ZINC000565748704 388967326 /nfs/dbraw/zinc/96/73/26/388967326.db2.gz AUCRTNZVINCSKX-JTQLQIEISA-N 0 3 234.303 0.236 20 0 BCADHN C[C@@H]1CCN(CC(=O)NC(C)(C)CC(N)=O)C1 ZINC000565372128 388940546 /nfs/dbraw/zinc/94/05/46/388940546.db2.gz JBLUGOVLKHQOTI-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN CCCN[C@@H](C)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000565364529 388940658 /nfs/dbraw/zinc/94/06/58/388940658.db2.gz DOCNZXJAXPCCPS-ZETCQYMHSA-N 0 3 238.291 0.440 20 0 BCADHN CC[C@@H](C(N)=O)N(C)CC(C)(C)OC ZINC000404213852 388954705 /nfs/dbraw/zinc/95/47/05/388954705.db2.gz AMJNNZYHDXYLHH-QMMMGPOBSA-N 0 3 202.298 0.607 20 0 BCADHN [O-]c1cccnc1C[N@H+]1CCC[C@H](CO)C1 ZINC000565590797 388955990 /nfs/dbraw/zinc/95/59/90/388955990.db2.gz GQHXTOIWKJQNAF-JTQLQIEISA-N 0 3 222.288 0.992 20 0 BCADHN [O-]c1cccnc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000565590797 388955993 /nfs/dbraw/zinc/95/59/93/388955993.db2.gz GQHXTOIWKJQNAF-JTQLQIEISA-N 0 3 222.288 0.992 20 0 BCADHN C[C@H]1NCCN(C(=O)Cc2cccnc2)[C@H]1C ZINC000262896826 388956024 /nfs/dbraw/zinc/95/60/24/388956024.db2.gz XIWVHKORKHJMRP-MNOVXSKESA-N 0 3 233.315 0.833 20 0 BCADHN O=C(N1CCCNCC1)C1(c2cccnc2)CC1 ZINC000565892709 388976827 /nfs/dbraw/zinc/97/68/27/388976827.db2.gz PYMFRPVHGQMAPG-UHFFFAOYSA-N 0 3 245.326 0.935 20 0 BCADHN CC[C@H](N)C(=O)N(C)CCc1cnccn1 ZINC000565889838 388977061 /nfs/dbraw/zinc/97/70/61/388977061.db2.gz HRFZGHUOZVWXPA-JTQLQIEISA-N 0 3 222.292 0.215 20 0 BCADHN C[C@@H](N(C)C(=O)C(=O)N(C)CCN)C(C)(C)C ZINC000565898732 388978196 /nfs/dbraw/zinc/97/81/96/388978196.db2.gz UCSMTZSWOGHJBY-SECBINFHSA-N 0 3 243.351 0.297 20 0 BCADHN CNS(=O)(=O)CCCN1[C@H](C)C[C@@H]1C ZINC000565985535 388982248 /nfs/dbraw/zinc/98/22/48/388982248.db2.gz UWXJHTJWZWFGAY-DTORHVGOSA-N 0 3 220.338 0.408 20 0 BCADHN CSC[C@@H](O)CN1CCC[C@]12CCNC2=O ZINC000566017910 388983662 /nfs/dbraw/zinc/98/36/62/388983662.db2.gz ONXGSXDJCOYTHN-GXSJLCMTSA-N 0 3 244.360 0.065 20 0 BCADHN COC1CC(NCc2n[nH]c(C3CC3)n2)C1 ZINC000566049795 388984704 /nfs/dbraw/zinc/98/47/04/388984704.db2.gz IRWACXWWGCCGJI-UHFFFAOYSA-N 0 3 222.292 0.949 20 0 BCADHN C[C@H](CN[C@H]1CCO[C@@H]1C1CC1)S(C)(=O)=O ZINC000566111246 388987953 /nfs/dbraw/zinc/98/79/53/388987953.db2.gz CEIQJVAGXSYPMG-DVVUODLYSA-N 0 3 247.360 0.577 20 0 BCADHN CSC[C@H](O)CNCc1cnn(C)c1C ZINC000566112345 388988544 /nfs/dbraw/zinc/98/85/44/388988544.db2.gz UZQWXVZAYDZHJO-SNVBAGLBSA-N 0 3 229.349 0.542 20 0 BCADHN COCCn1cc(CN[C@@H](C)COC)cn1 ZINC000266247168 388995016 /nfs/dbraw/zinc/99/50/16/388995016.db2.gz ZCEHIWMVLPASRF-JTQLQIEISA-N 0 3 227.308 0.654 20 0 BCADHN C[C@H](CC(N)=O)NC[C@](C)(O)c1cccs1 ZINC000267248329 389000001 /nfs/dbraw/zinc/00/00/01/389000001.db2.gz NRGOZSCPCRTQGV-KCJUWKMLSA-N 0 3 242.344 0.809 20 0 BCADHN CCOC[C@@H](O)CN[C@H](C)c1cnn(CC)c1 ZINC000268954224 389005386 /nfs/dbraw/zinc/00/53/86/389005386.db2.gz DCFGFIKCLKYBQH-PWSUYJOCSA-N 0 3 241.335 0.951 20 0 BCADHN COCc1ccc(CNCC[C@@H](O)COC)o1 ZINC000270778994 389013645 /nfs/dbraw/zinc/01/36/45/389013645.db2.gz CIBPEMFGPRQZBC-SNVBAGLBSA-N 0 3 243.303 0.913 20 0 BCADHN C[C@@H](NCCN1CCCC1=O)c1cnn(C)c1 ZINC000273380938 389040570 /nfs/dbraw/zinc/04/05/70/389040570.db2.gz MTXGCHGYLGFUFZ-SNVBAGLBSA-N 0 3 236.319 0.693 20 0 BCADHN CCSCCN(C)[C@H]1COC[C@H]1O ZINC000348122414 136032946 /nfs/dbraw/zinc/03/29/46/136032946.db2.gz HXGYCNUABNFFDC-DTWKUNHWSA-N 0 3 205.323 0.431 20 0 BCADHN CCN(Cc1cn(C)nc1C)C[C@@H](C)O ZINC000348701267 136116323 /nfs/dbraw/zinc/11/63/23/136116323.db2.gz CRGPBVKWPFLFEE-SECBINFHSA-N 0 3 211.309 0.931 20 0 BCADHN C[C@H](CNS(C)(=O)=O)N1CCC(C)CC1 ZINC000036077892 168187007 /nfs/dbraw/zinc/18/70/07/168187007.db2.gz ZOOWYABCEPOTTH-SNVBAGLBSA-N 0 3 234.365 0.656 20 0 BCADHN NC(=O)CN1CCN(C[C@H]2CC=CCC2)CC1 ZINC000179832114 322822208 /nfs/dbraw/zinc/82/22/08/322822208.db2.gz NMUJOAISKAHUIN-LBPRGKRZSA-N 0 3 237.347 0.446 20 0 BCADHN COC(=O)CCN1CCC2(COC(=O)N2)CC1 ZINC000495136410 533417854 /nfs/dbraw/zinc/41/78/54/533417854.db2.gz CIRHSTJWUSBRCP-UHFFFAOYSA-N 0 3 242.275 0.124 20 0 BCADHN CO[C@@H]1CN(CCC(=O)OC(C)C)C[C@@H]1OC ZINC000488027906 533474382 /nfs/dbraw/zinc/47/43/82/533474382.db2.gz RVNUBSJRCRSAML-PHIMTYICSA-N 0 3 245.319 0.674 20 0 BCADHN C[C@@H](O)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000469033497 533575283 /nfs/dbraw/zinc/57/52/83/533575283.db2.gz PCCWVPNJHXDBJF-GMTAPVOTSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@@H](O)CCCNC(=O)CC1CCN(C)CC1 ZINC000487477520 533592115 /nfs/dbraw/zinc/59/21/15/533592115.db2.gz QTMKBGXUYFQODA-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN COC(=O)C[C@@H](NC(=O)CN)C1CCCCC1 ZINC000490920890 533609378 /nfs/dbraw/zinc/60/93/78/533609378.db2.gz YHVGATXHJXNZPD-SNVBAGLBSA-N 0 3 242.319 0.573 20 0 BCADHN CN(C)CCNC(=O)c1cnc2c(cnn2C)c1 ZINC000533554323 322831473 /nfs/dbraw/zinc/83/14/73/322831473.db2.gz SCMQWNMRJCNUHC-UHFFFAOYSA-N 0 3 247.302 0.260 20 0 BCADHN CC1CCN(CCNC(=O)c2cn[nH]c2)CC1 ZINC000040445449 322832533 /nfs/dbraw/zinc/83/25/33/322832533.db2.gz XVJCGHBCQYDTLJ-UHFFFAOYSA-N 0 3 236.319 0.871 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC[C@H](C)COC ZINC000041679503 322836452 /nfs/dbraw/zinc/83/64/52/322836452.db2.gz ZHLDBXCERGLHTH-AEJSXWLSSA-N 0 3 216.325 0.759 20 0 BCADHN CN(C)[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000266386520 132185777 /nfs/dbraw/zinc/18/57/77/132185777.db2.gz NMJOZFBBGPTPMO-SNVBAGLBSA-N 0 3 236.319 0.311 20 0 BCADHN C[C@@H](N)C(=O)N1CCN(C)c2ncccc21 ZINC000269265426 132194124 /nfs/dbraw/zinc/19/41/24/132194124.db2.gz OTAQOUBUGIJTPG-MRVPVSSYSA-N 0 3 220.276 0.212 20 0 BCADHN CCC[C@H](N)C(=O)N1CCN(C)c2ncccc21 ZINC000269265415 132194095 /nfs/dbraw/zinc/19/40/95/132194095.db2.gz ORNWHFNHVUYJHS-JTQLQIEISA-N 0 3 248.330 0.992 20 0 BCADHN C[C@@H]1CN(c2ncnc3nc[nH]c32)C[C@H](C)N1C ZINC000292699843 132219227 /nfs/dbraw/zinc/21/92/27/132219227.db2.gz FZRILGFPQBOGNU-DTORHVGOSA-N 0 3 246.318 0.882 20 0 BCADHN C[C@@H]1CN(c2ncnc3[nH]cnc32)C[C@H](C)N1C ZINC000292699843 132219229 /nfs/dbraw/zinc/21/92/29/132219229.db2.gz FZRILGFPQBOGNU-DTORHVGOSA-N 0 3 246.318 0.882 20 0 BCADHN Cc1cc(N2CCN[C@H](C)C2)nc(C)n1 ZINC000052783309 132228843 /nfs/dbraw/zinc/22/88/43/132228843.db2.gz ZNFTULAHTFQIHV-SECBINFHSA-N 0 3 206.293 0.892 20 0 BCADHN Cc1cc(N2CCN[C@@H](C)C2)nc(C)n1 ZINC000052783310 132228999 /nfs/dbraw/zinc/22/89/99/132228999.db2.gz ZNFTULAHTFQIHV-VIFPVBQESA-N 0 3 206.293 0.892 20 0 BCADHN CC(C)N1CCN(c2ccnc(C(N)=O)c2)CC1 ZINC000114184476 132268806 /nfs/dbraw/zinc/26/88/06/132268806.db2.gz LWFSQFLBQCVCSW-UHFFFAOYSA-N 0 3 248.330 0.711 20 0 BCADHN Cc1cccc(N2CCN(C(=O)[C@H](C)N)CC2)c1 ZINC000011805443 132320764 /nfs/dbraw/zinc/32/07/64/132320764.db2.gz RCFOQOVUDUKMCU-LBPRGKRZSA-N 0 3 247.342 0.991 20 0 BCADHN C[C@H]1CN(c2ncnc3c2cnn3C)CCN1 ZINC000052783374 132362469 /nfs/dbraw/zinc/36/24/69/132362469.db2.gz WETVLZCWOHKKKW-QMMMGPOBSA-N 0 3 232.291 0.161 20 0 BCADHN C[C@@H]1CN(c2ncnc3c2cnn3C)CCN1 ZINC000052783373 132362519 /nfs/dbraw/zinc/36/25/19/132362519.db2.gz WETVLZCWOHKKKW-MRVPVSSYSA-N 0 3 232.291 0.161 20 0 BCADHN CCNCc1cnc(N2CCN(C)CC2)nc1 ZINC000054855754 132365153 /nfs/dbraw/zinc/36/51/53/132365153.db2.gz YVUTZMNAHTXENP-UHFFFAOYSA-N 0 3 235.335 0.338 20 0 BCADHN C[NH2+]CCCNC(=O)c1cc(OC)ccc1[O-] ZINC000043327765 322839173 /nfs/dbraw/zinc/83/91/73/322839173.db2.gz UYFXMYXSRXVQDU-UHFFFAOYSA-N 0 3 238.287 0.740 20 0 BCADHN Cc1nc2ccccn2c1CN[C@H](C)CC(N)=O ZINC000161572411 133514579 /nfs/dbraw/zinc/51/45/79/133514579.db2.gz HAOPIMHRPIRXPO-SECBINFHSA-N 0 3 246.314 0.996 20 0 BCADHN COC(C)(C)C[C@H](C)NC(=O)[C@@H](C)N ZINC000162002978 133517552 /nfs/dbraw/zinc/51/75/52/133517552.db2.gz WKMUWHPVESAKNX-JGVFFNPUSA-N 0 3 202.298 0.653 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCCO1)N(C)C ZINC000335805327 133915167 /nfs/dbraw/zinc/91/51/67/133915167.db2.gz ALWRZQOSOZCFOR-VIFPVBQESA-N 0 3 200.282 0.737 20 0 BCADHN CC[C@H](C(=O)NCc1ccno1)N(C)C ZINC000351912955 133999870 /nfs/dbraw/zinc/99/98/70/133999870.db2.gz NLHDLYZFCYILAD-SECBINFHSA-N 0 3 211.265 0.631 20 0 BCADHN C[C@H]1CN(CCc2ccnn2C)[C@@H](C)CN1C ZINC000335926123 134008653 /nfs/dbraw/zinc/00/86/53/134008653.db2.gz VZBWTOSHCIZWNE-RYUDHWBXSA-N 0 3 236.363 0.987 20 0 BCADHN CN1CC[C@H](NC(=O)N2CCSCC2)C1 ZINC000335931789 134010964 /nfs/dbraw/zinc/01/09/64/134010964.db2.gz LDBBZEMDIRIMPX-VIFPVBQESA-N 0 3 229.349 0.449 20 0 BCADHN Cc1nnc(CN2C[C@H](C)N(C)C[C@H]2C)n1C ZINC000351942888 134015469 /nfs/dbraw/zinc/01/54/69/134015469.db2.gz CQOKOYUKIORLLC-VHSXEESVSA-N 0 3 237.351 0.648 20 0 BCADHN COC(=O)CCCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000351944925 134015588 /nfs/dbraw/zinc/01/55/88/134015588.db2.gz NRGUOEJCKNQZME-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN O=C(COC(F)F)NCCNc1ccncc1 ZINC000351956415 134016930 /nfs/dbraw/zinc/01/69/30/134016930.db2.gz OBUPJKVBSAFXCY-UHFFFAOYSA-N 0 3 245.229 0.271 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 ZINC000335946767 134020546 /nfs/dbraw/zinc/02/05/46/134020546.db2.gz POSUMWPQPPBHMM-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H]1CN(CCOCCO)[C@@H](C)CN1C ZINC000351942510 134025232 /nfs/dbraw/zinc/02/52/32/134025232.db2.gz AVBBGRMQBPFNGM-QWRGUYRKSA-N 0 3 216.325 0.020 20 0 BCADHN CCN1CC[C@H]2OCCN(C(=O)C(C)C)[C@H]2C1 ZINC000335972770 134030404 /nfs/dbraw/zinc/03/04/04/134030404.db2.gz BNWNKJFHYUWAKA-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1[C@H](N2CCOCC2)CCN1[C@H]1CCOC1 ZINC000351992659 134031602 /nfs/dbraw/zinc/03/16/02/134031602.db2.gz FNKASEBYQLUHKG-FRRDWIJNSA-N 0 3 240.347 0.570 20 0 BCADHN C[C@@H]1[C@@H](N2CCOCC2)CCN1[C@H]1CCOC1 ZINC000351992658 134031646 /nfs/dbraw/zinc/03/16/46/134031646.db2.gz FNKASEBYQLUHKG-AGIUHOORSA-N 0 3 240.347 0.570 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C2(C)COC2)CCN1C ZINC000335982671 134038141 /nfs/dbraw/zinc/03/81/41/134038141.db2.gz QXYWKMUHMXLTBT-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN CN(C(=O)C[C@@H]1CCOC1)C1CCN(C)CC1 ZINC000352029657 134045169 /nfs/dbraw/zinc/04/51/69/134045169.db2.gz WOAKGBRAIQVNEM-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@H](C)[C@@H]1CO ZINC000336000291 134046865 /nfs/dbraw/zinc/04/68/65/134046865.db2.gz MKUJPRRTTOACRD-CABZTGNLSA-N 0 3 223.320 0.931 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1C(=O)CN(C)C ZINC000336003230 134048110 /nfs/dbraw/zinc/04/81/10/134048110.db2.gz JJWBDPDEGAZBFO-LLVKDONJSA-N 0 3 227.352 0.347 20 0 BCADHN C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)N1CCC1 ZINC000336025168 134056709 /nfs/dbraw/zinc/05/67/09/134056709.db2.gz RTOCNWJLXCFUEB-ZJUUUORDSA-N 0 3 239.319 0.854 20 0 BCADHN 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CC(C)[C@@H]1CN(C(=O)c2cnc[nH]2)CCN1C ZINC000336090333 134078209 /nfs/dbraw/zinc/07/82/09/134078209.db2.gz CRQSTLQJCBJUBG-NSHDSACASA-N 0 3 236.319 0.822 20 0 BCADHN CCNC(=O)CN1CCSCC[C@H]1C ZINC000336123253 134091993 /nfs/dbraw/zinc/09/19/93/134091993.db2.gz UVGFCQQGCBYRQU-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN CNCC(=O)N1CCC[C@H](c2cc(C)n[nH]2)C1 ZINC000336128155 134093875 /nfs/dbraw/zinc/09/38/75/134093875.db2.gz WORIIVHDVRXYOT-JTQLQIEISA-N 0 3 236.319 0.644 20 0 BCADHN CCN(C[C@H](C)O)[C@H]1CCCCNC1=O ZINC000352202895 134102355 /nfs/dbraw/zinc/10/23/55/134102355.db2.gz NJNZXUZTOVZBGH-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN NS(=O)(=O)[C@@H]1CCN(CC2CCC2)C1 ZINC000336146504 134102602 /nfs/dbraw/zinc/10/26/02/134102602.db2.gz MJHBEVOIGABFSH-SECBINFHSA-N 0 3 218.322 0.149 20 0 BCADHN Cc1cnn(CC(=O)N2CCN[C@@H](C)[C@@H]2C)c1 ZINC000336155800 134105895 /nfs/dbraw/zinc/10/58/95/134105895.db2.gz BCNBTOHKDJMIAU-QWRGUYRKSA-N 0 3 236.319 0.400 20 0 BCADHN C[C@H]1NCCN(C(=O)Cc2ccon2)[C@H]1C 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226.320 0.358 20 0 BCADHN Cn1cccc1CN[C@@H]1CCC(=O)N(C)C1 ZINC000077900507 135084917 /nfs/dbraw/zinc/08/49/17/135084917.db2.gz CGVGNYSPROBMKE-SNVBAGLBSA-N 0 3 221.304 0.736 20 0 BCADHN O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1[O-] ZINC000252416859 135088814 /nfs/dbraw/zinc/08/88/14/135088814.db2.gz TWDWARHJUMWWMK-JZYVYDRUSA-N 0 3 218.256 0.340 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)c1nncn1C ZINC000252419739 135089147 /nfs/dbraw/zinc/08/91/47/135089147.db2.gz WSVYZNZWWYNPPS-DJLDLDEBSA-N 0 3 239.323 0.366 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCCC[C@H]1CO ZINC000252448583 135090018 /nfs/dbraw/zinc/09/00/18/135090018.db2.gz YHOMMJICOGLCSP-RYUDHWBXSA-N 0 3 231.336 0.619 20 0 BCADHN COC(=O)[C@H](C)N(C)C[C@H]1CCCN1C ZINC000252570706 135092175 /nfs/dbraw/zinc/09/21/75/135092175.db2.gz AKACMCBEIBLHKP-VHSXEESVSA-N 0 3 214.309 0.574 20 0 BCADHN CC(C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252667227 135095235 /nfs/dbraw/zinc/09/52/35/135095235.db2.gz HFOSULDGRBIEQD-QWRGUYRKSA-N 0 3 226.320 0.622 20 0 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C[C@@H]1OCC[C@H]1N[C@H]1CCCS(=O)(=O)C1 ZINC000252755593 135107816 /nfs/dbraw/zinc/10/78/16/135107816.db2.gz ZXLMQKPNDIKKTN-LPEHRKFASA-N 0 3 233.333 0.331 20 0 BCADHN C[C@H]1CN(C(=O)COC2CNC2)C[C@H]1C ZINC000261532340 135108318 /nfs/dbraw/zinc/10/83/18/135108318.db2.gz AGRCAAMKFAIKRC-DTORHVGOSA-N 0 3 212.293 0.089 20 0 BCADHN COC1CCC(N(C)C(=O)CN)CC1 ZINC000261535378 135109163 /nfs/dbraw/zinc/10/91/63/135109163.db2.gz OIVUZJOVPODQOY-UHFFFAOYSA-N 0 3 200.282 0.361 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCC1(C)COC1 ZINC000087198020 135112228 /nfs/dbraw/zinc/11/22/28/135112228.db2.gz IYMNKFDEBDXSHT-MRVPVSSYSA-N 0 3 214.309 0.513 20 0 BCADHN C[C@H](C[S@@](C)=O)N[C@H](C)c1cnn(C)c1 ZINC000252813909 135112224 /nfs/dbraw/zinc/11/22/24/135112224.db2.gz SFJGZCJTDAFOCQ-KEMUVXCRSA-N 0 3 229.349 0.838 20 0 BCADHN COC(=O)[C@H](C1CC1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252842024 135112591 /nfs/dbraw/zinc/11/25/91/135112591.db2.gz ASXCHRJQOZLKII-YFKTTZPYSA-N 0 3 239.315 0.641 20 0 BCADHN 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20 0 BCADHN O=C(NC[C@H]1CNCCO1)NC1CCCC1 ZINC000087312075 135122625 /nfs/dbraw/zinc/12/26/25/135122625.db2.gz XMRZOHYZHIAUOT-SNVBAGLBSA-N 0 3 227.308 0.217 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)N[C@H]1CCOC1 ZINC000253169457 135122938 /nfs/dbraw/zinc/12/29/38/135122938.db2.gz CSGMGVPDMLKQAH-WDEREUQCSA-N 0 3 241.335 0.511 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N[C@H]2CCOC2)C1 ZINC000253156813 135123210 /nfs/dbraw/zinc/12/32/10/135123210.db2.gz PGWCRXZGRUXOKX-UTLUCORTSA-N 0 3 212.293 0.280 20 0 BCADHN Cc1cc(CN[C@@H](C)CCCO)n(C)n1 ZINC000087359963 135124908 /nfs/dbraw/zinc/12/49/08/135124908.db2.gz OSWJJLSFFHCCKN-VIFPVBQESA-N 0 3 211.309 0.979 20 0 BCADHN CCN(C)C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000253205091 135124993 /nfs/dbraw/zinc/12/49/93/135124993.db2.gz FHWMQOYNYNPVHM-GIPNMCIBSA-N 0 3 240.347 0.997 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H](C)CCCO ZINC000087360265 135125561 /nfs/dbraw/zinc/12/55/61/135125561.db2.gz FXIGXAPPMIDBQB-ONGXEEELSA-N 0 3 216.325 0.781 20 0 BCADHN C[C@H](O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000258893384 135135372 /nfs/dbraw/zinc/13/53/72/135135372.db2.gz TVGAOAOQLIGEAN-UWVGGRQHSA-N 0 3 214.309 0.167 20 0 BCADHN COC(=O)CCCNC(=O)C1CCN(C)CC1 ZINC000260100973 135147081 /nfs/dbraw/zinc/14/70/81/135147081.db2.gz QRKVLIBJJVTWBJ-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN CCOC(=O)CNC(=O)C1CCN(C)CC1 ZINC000260325106 135148055 /nfs/dbraw/zinc/14/80/55/135148055.db2.gz ZRXGXFBCVIJMJS-UHFFFAOYSA-N 0 3 228.292 0.008 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@@]1(O)CCSC1 ZINC000267031624 135150883 /nfs/dbraw/zinc/15/08/83/135150883.db2.gz YOYFLMWLVJKUGP-UFFNRZRYSA-N 0 3 244.360 0.088 20 0 BCADHN O=C(COC1CNC1)Nc1ccsc1 ZINC000261528688 135153969 /nfs/dbraw/zinc/15/39/69/135153969.db2.gz SZMCQLROXRCCDS-UHFFFAOYSA-N 0 3 212.274 0.675 20 0 BCADHN C[C@@H](N)C(=O)Nc1nnc(C(F)F)s1 ZINC000261529678 135156862 /nfs/dbraw/zinc/15/68/62/135156862.db2.gz BIJPLMJWTHBEDL-UWTATZPHSA-N 0 3 222.220 0.761 20 0 BCADHN C[C@H]1C[C@H](O)CN1Cc1cnc(N)s1 ZINC000261529766 135156914 /nfs/dbraw/zinc/15/69/14/135156914.db2.gz VGPUPCCGPWEHQN-BQBZGAKWSA-N 0 3 213.306 0.680 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)C(N)C(F)(F)F ZINC000261531323 135160053 /nfs/dbraw/zinc/16/00/53/135160053.db2.gz GCNGUSVVBRPKRU-PBXRRBTRSA-N 0 3 210.199 0.648 20 0 BCADHN O=C(C[C@@H]1CNCCO1)NC[C@@H]1CCCS1 ZINC000087668618 135163012 /nfs/dbraw/zinc/16/30/12/135163012.db2.gz OJYDMENXGQGGMU-ZJUUUORDSA-N 0 3 244.360 0.377 20 0 BCADHN CCn1nccc1NC(=O)[C@@H](N)C(C)C ZINC000261532539 135163539 /nfs/dbraw/zinc/16/35/39/135163539.db2.gz AMGMVLCUKOAHGJ-VIFPVBQESA-N 0 3 210.281 0.825 20 0 BCADHN Cc1cnccc1NC(=O)[C@@H]1C[C@H](O)CN1 ZINC000261533116 135164062 /nfs/dbraw/zinc/16/40/62/135164062.db2.gz VQYXBUFGPXHUEZ-WPRPVWTQSA-N 0 3 221.260 0.051 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCOC1 ZINC000087784979 135169366 /nfs/dbraw/zinc/16/93/66/135169366.db2.gz YUKKEGJBQSEIMN-YIZRAAEISA-N 0 3 200.282 0.265 20 0 BCADHN C[C@H](N[C@@H]1CCOC1)C(=O)N1CCCC1 ZINC000087786086 135172473 /nfs/dbraw/zinc/17/24/73/135172473.db2.gz GVTULZKVOVAJSH-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCO[C@H](C)C1 ZINC000261538659 135176425 /nfs/dbraw/zinc/17/64/25/135176425.db2.gz YVTXWACILBNYBL-RKDXNWHRSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@@H](NC(=O)C(C)(C)N)c1cnn(C)c1 ZINC000261538868 135176864 /nfs/dbraw/zinc/17/68/64/135176864.db2.gz ZRFIZJAZMFBWJM-SSDOTTSWSA-N 0 3 210.281 0.335 20 0 BCADHN C[C@@H]1[C@@H](C)CCN1C(=O)COC1CNC1 ZINC000261540199 135179144 /nfs/dbraw/zinc/17/91/44/135179144.db2.gz DUCNLMZHVIMZKM-DTWKUNHWSA-N 0 3 212.293 0.232 20 0 BCADHN C[C@@H]1CCN(C(=O)COC2CNC2)[C@H]1C ZINC000261540198 135179625 /nfs/dbraw/zinc/17/96/25/135179625.db2.gz DUCNLMZHVIMZKM-BDAKNGLRSA-N 0 3 212.293 0.232 20 0 BCADHN CC(C)(C)CNC(=O)CCOC1CNC1 ZINC000261552427 135191350 /nfs/dbraw/zinc/19/13/50/135191350.db2.gz RKNFLIMLTKYJAV-UHFFFAOYSA-N 0 3 214.309 0.527 20 0 BCADHN CNCCN(C)S(=O)(=O)CC1CCCC1 ZINC000261552319 135191528 /nfs/dbraw/zinc/19/15/28/135191528.db2.gz RBWOOPWVOHWFRP-UHFFFAOYSA-N 0 3 234.365 0.658 20 0 BCADHN CC1(C)C[C@@H]1CNC(=O)COC1CNC1 ZINC000261553472 135192880 /nfs/dbraw/zinc/19/28/80/135192880.db2.gz SNISSZYTQUXZSC-MRVPVSSYSA-N 0 3 212.293 0.137 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000084238885 135194245 /nfs/dbraw/zinc/19/42/45/135194245.db2.gz GGWCSRVZTAMMKT-GARJFASQSA-N 0 3 228.336 0.637 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000084238720 135194314 /nfs/dbraw/zinc/19/43/14/135194314.db2.gz QIGKIWBJRYRFJO-UTLUCORTSA-N 0 3 214.309 0.391 20 0 BCADHN CCCN(CCC)C(=O)COC1CNC1 ZINC000261554440 135194464 /nfs/dbraw/zinc/19/44/64/135194464.db2.gz UEXUMQNTSHQVQS-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CNCC(=O)N[C@@H](C)Cc1ccncc1 ZINC000261556224 135196410 /nfs/dbraw/zinc/19/64/10/135196410.db2.gz VSSSDXFAJVVLOP-VIFPVBQESA-N 0 3 207.277 0.348 20 0 BCADHN COCCCC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000261557063 135197285 /nfs/dbraw/zinc/19/72/85/135197285.db2.gz WUYYUFSPGAAIPJ-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CNCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000261559001 135199494 /nfs/dbraw/zinc/19/94/94/135199494.db2.gz YSRXZMKYQJYYRF-SZEHBUNVSA-N 0 3 212.293 0.136 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H](C)N ZINC000261562819 135204165 /nfs/dbraw/zinc/20/41/65/135204165.db2.gz BPQINLGWCFQKNS-NKWVEPMBSA-N 0 3 210.281 0.253 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000261562608 135204172 /nfs/dbraw/zinc/20/41/72/135204172.db2.gz BKUWKMDKHONVMV-OUAUKWLOSA-N 0 3 228.336 0.903 20 0 BCADHN C[C@H]1CCNC[C@H]1NS(=O)(=O)CCC1CC1 ZINC000261567859 135210393 /nfs/dbraw/zinc/21/03/93/135210393.db2.gz FFLNEUYITPKGPT-GXSJLCMTSA-N 0 3 246.376 0.704 20 0 BCADHN NC(C(=O)NC[C@H]1CCCS1)C(F)(F)F ZINC000261569069 135211709 /nfs/dbraw/zinc/21/17/09/135211709.db2.gz GBHXYYRCSUUISO-RITPCOANSA-N 0 3 242.266 0.888 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@]1(C)CCOC1 ZINC000261570364 135212300 /nfs/dbraw/zinc/21/23/00/135212300.db2.gz GTTQOZVOOWANMK-MWLCHTKSSA-N 0 3 214.309 0.513 20 0 BCADHN Cc1csc(CNC(=O)[C@]2(F)CCNC2)n1 ZINC000164039603 135212387 /nfs/dbraw/zinc/21/23/87/135212387.db2.gz QUOINRBQVMFAIY-JTQLQIEISA-N 0 3 243.307 0.769 20 0 BCADHN CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N(C)C ZINC000164026052 135213205 /nfs/dbraw/zinc/21/32/05/135213205.db2.gz SZVJXZGGDIJZCT-GRYCIOLGSA-N 0 3 239.363 0.680 20 0 BCADHN COC[C@@H](O)CNCc1cnc(N(C)C)s1 ZINC000164151948 135214805 /nfs/dbraw/zinc/21/48/05/135214805.db2.gz CWYGIUUAOFHXJL-QMMMGPOBSA-N 0 3 245.348 0.306 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000261584357 135225171 /nfs/dbraw/zinc/22/51/71/135225171.db2.gz PRVWRMQFVLXMRO-UTLUCORTSA-N 0 3 212.293 0.361 20 0 BCADHN NC(C(=O)NC1CCSCC1)C(F)(F)F ZINC000261593578 135234606 /nfs/dbraw/zinc/23/46/06/135234606.db2.gz WYERQUSSULOQJM-ZCFIWIBFSA-N 0 3 242.266 0.888 20 0 BCADHN NC1(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000261595199 135234746 /nfs/dbraw/zinc/23/47/46/135234746.db2.gz XXLGTFSBLYSKOO-QMMMGPOBSA-N 0 3 238.209 0.003 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000261596832 135236224 /nfs/dbraw/zinc/23/62/24/135236224.db2.gz YYHSVLOTIDHARG-XPUUQOCRSA-N 0 3 240.225 0.249 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)C2(N)CC2)CCO1 ZINC000261597437 135236496 /nfs/dbraw/zinc/23/64/96/135236496.db2.gz ZBKHXPOEVVPCLC-VIFPVBQESA-N 0 3 212.293 0.361 20 0 BCADHN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccco2)CC[NH2+]1 ZINC000261644568 135242294 /nfs/dbraw/zinc/24/22/94/135242294.db2.gz GUNBRJFBKKUUHC-RKDXNWHRSA-N 0 3 244.316 0.698 20 0 BCADHN CN1C(=O)CC[C@@H](N[C@@H]2CCCSC2)C1=O ZINC000084406330 135245724 /nfs/dbraw/zinc/24/57/24/135245724.db2.gz AOIZNVAJNPIPKE-RKDXNWHRSA-N 0 3 242.344 0.619 20 0 BCADHN O=S(=O)(CC1CCCC1)N[C@H]1CCCNC1 ZINC000261725917 135248276 /nfs/dbraw/zinc/24/82/76/135248276.db2.gz RUISPXBCPQPRKX-NSHDSACASA-N 0 3 246.376 0.848 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)[C@H]2CSCN2)C1 ZINC000084420028 135249504 /nfs/dbraw/zinc/24/95/04/135249504.db2.gz PJFGHNFMVLPFMH-NXEZZACHSA-N 0 3 243.376 0.202 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@H]2CSCN2)C1 ZINC000084420031 135249556 /nfs/dbraw/zinc/24/95/56/135249556.db2.gz PJFGHNFMVLPFMH-VHSXEESVSA-N 0 3 243.376 0.202 20 0 BCADHN Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H](C)N ZINC000261826752 135256305 /nfs/dbraw/zinc/25/63/05/135256305.db2.gz IVOYGUUDLOFYIR-RNFRBKRXSA-N 0 3 225.292 0.858 20 0 BCADHN Cc1noc(C)c1[C@@H](C)CNC(=O)[C@@H](C)N ZINC000261826743 135256328 /nfs/dbraw/zinc/25/63/28/135256328.db2.gz IVOYGUUDLOFYIR-NKWVEPMBSA-N 0 3 225.292 0.858 20 0 BCADHN CN(CC1CCC1)C(=O)[C@@H](N)C1CCOCC1 ZINC000261867203 135258384 /nfs/dbraw/zinc/25/83/84/135258384.db2.gz SQTPTSLOCVBNCT-LBPRGKRZSA-N 0 3 240.347 0.999 20 0 BCADHN COCCN1CCNC[C@@H]1c1cccnc1 ZINC000261871647 135259264 /nfs/dbraw/zinc/25/92/64/135259264.db2.gz XJWOONGAOMSJFD-GFCCVEGCSA-N 0 3 221.304 0.674 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000261896250 135260836 /nfs/dbraw/zinc/26/08/36/135260836.db2.gz UNTUBNWZTZDPHY-KYXWUPHJSA-N 0 3 226.320 0.653 20 0 BCADHN O=C(NC1CC1)[C@H]1CCCN1C[C@@H]1CCOC1 ZINC000342363539 135263147 /nfs/dbraw/zinc/26/31/47/135263147.db2.gz AGHVTBVSARKBRX-CMPLNLGQSA-N 0 3 238.331 0.766 20 0 BCADHN CS(=O)(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261921205 135263438 /nfs/dbraw/zinc/26/34/38/135263438.db2.gz ZMKSTENEGDNANT-WDEREUQCSA-N 0 3 240.328 0.373 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCCO ZINC000342340485 135264708 /nfs/dbraw/zinc/26/47/08/135264708.db2.gz QYAAFLHMTGRFJR-KOLCDFICSA-N 0 3 241.335 0.151 20 0 BCADHN CCCCNC(=O)CN1CCCN(C)CC1 ZINC000342337303 135264714 /nfs/dbraw/zinc/26/47/14/135264714.db2.gz XWMQQTBHQQVNJF-UHFFFAOYSA-N 0 3 227.352 0.540 20 0 BCADHN CNC(=O)N[C@H]1CCN(CCCSC)C1 ZINC000342340507 135265249 /nfs/dbraw/zinc/26/52/49/135265249.db2.gz RDRYCOFQNGMSIQ-VIFPVBQESA-N 0 3 231.365 0.743 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cnn1 ZINC000342415515 135266843 /nfs/dbraw/zinc/26/68/43/135266843.db2.gz KQLVXNWQOVUEDV-CMPLNLGQSA-N 0 3 248.330 0.998 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cnn1 ZINC000342415521 135266992 /nfs/dbraw/zinc/26/69/92/135266992.db2.gz KQLVXNWQOVUEDV-ZYHUDNBSSA-N 0 3 248.330 0.998 20 0 BCADHN CN(C)CCN(C(=O)c1cnns1)C1CC1 ZINC000342374037 135268155 /nfs/dbraw/zinc/26/81/55/135268155.db2.gz JSNVRPLDZPZWFW-UHFFFAOYSA-N 0 3 240.332 0.704 20 0 BCADHN OC1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342408580 135272523 /nfs/dbraw/zinc/27/25/23/135272523.db2.gz OTAQIJLYEYYSPI-BETUJISGSA-N 0 3 240.347 0.306 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCNC[C@H]1C ZINC000262023342 135273732 /nfs/dbraw/zinc/27/37/32/135273732.db2.gz MPTLURSZSKUSBW-GRYCIOLGSA-N 0 3 239.363 0.680 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCNC[C@H]1C ZINC000262023346 135273788 /nfs/dbraw/zinc/27/37/88/135273788.db2.gz MPTLURSZSKUSBW-IJLUTSLNSA-N 0 3 239.363 0.680 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCNC[C@H]1C ZINC000262023351 135273793 /nfs/dbraw/zinc/27/37/93/135273793.db2.gz MPTLURSZSKUSBW-SDDRHHMPSA-N 0 3 239.363 0.680 20 0 BCADHN COC(=O)[C@]1(F)CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000262099800 135278411 /nfs/dbraw/zinc/27/84/11/135278411.db2.gz CKIOSGFBJDGPFS-KWQFWETISA-N 0 3 246.282 0.083 20 0 BCADHN CCNC(=O)CN1CCNC[C@H]1c1cccnc1 ZINC000262185777 135284919 /nfs/dbraw/zinc/28/49/19/135284919.db2.gz XPYZECUMOAPIER-LBPRGKRZSA-N 0 3 248.330 0.164 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@](C)(O)C2CC2)CCCN1C ZINC000342575702 135291214 /nfs/dbraw/zinc/29/12/14/135291214.db2.gz TYQBCKUOYNDXLU-IRUJWGPZSA-N 0 3 240.347 0.746 20 0 BCADHN CN1CC=C(CNC(=O)[C@@](C)(O)C2CC2)CC1 ZINC000342575751 135291493 /nfs/dbraw/zinc/29/14/93/135291493.db2.gz UTOMJJGVYZXGKQ-ZDUSSCGKSA-N 0 3 238.331 0.526 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCN(C2CCC2)CC1 ZINC000262314132 135292115 /nfs/dbraw/zinc/29/21/15/135292115.db2.gz ZKPRORXHFBQVSF-GFCCVEGCSA-N 0 3 239.363 0.666 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H](C)c1ncon1 ZINC000262377398 135298096 /nfs/dbraw/zinc/29/80/96/135298096.db2.gz JUOCQXBZRQWZGK-XVKPBYJWSA-N 0 3 226.280 0.764 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)C[C@@H]1CCOC1 ZINC000342641274 135299071 /nfs/dbraw/zinc/29/90/71/135299071.db2.gz YCNQXAPVHVZTGT-ISTVAULSSA-N 0 3 219.350 0.722 20 0 BCADHN CCCCN1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366782845 135300554 /nfs/dbraw/zinc/30/05/54/135300554.db2.gz CCOZCWZNTSNDEI-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CN(CC[C@H]1CCCO1)[C@H]1CCCNC1=O ZINC000342609566 135302990 /nfs/dbraw/zinc/30/29/90/135302990.db2.gz UZINMVISFVBTRY-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](C(=O)N(C)C)N(C)CC[C@@H]1CCCO1 ZINC000342612545 135303445 /nfs/dbraw/zinc/30/34/45/135303445.db2.gz YIZVGRRBNAOALB-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000262519883 135304182 /nfs/dbraw/zinc/30/41/82/135304182.db2.gz DNODOHRIENJWEJ-MXWKQRLJSA-N 0 3 228.336 0.901 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000262553690 135305942 /nfs/dbraw/zinc/30/59/42/135305942.db2.gz ZVTJSLOZTDQQPZ-JTQLQIEISA-N 0 3 235.287 0.770 20 0 BCADHN CCOC(=O)C[C@H](C)CNC(=O)[C@@H](N)C(C)C ZINC000262579460 135306624 /nfs/dbraw/zinc/30/66/24/135306624.db2.gz PXLFSBCMJOXVBR-ONGXEEELSA-N 0 3 244.335 0.675 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000262594743 135308180 /nfs/dbraw/zinc/30/81/80/135308180.db2.gz WFOQSTYRAQZQKW-DTWKUNHWSA-N 0 3 228.292 0.136 20 0 BCADHN NC1(C(=O)Nc2nnc3ccccn32)CCCC1 ZINC000262626462 135309792 /nfs/dbraw/zinc/30/97/92/135309792.db2.gz DMCJAPOYWRBQOX-UHFFFAOYSA-N 0 3 245.286 0.939 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N1CCC[C@H]1C ZINC000342746823 135311580 /nfs/dbraw/zinc/31/15/80/135311580.db2.gz GNAJVCBIEVRSFU-RKDXNWHRSA-N 0 3 228.292 0.278 20 0 BCADHN COCCNCCNC(=O)c1c[nH]cc1C ZINC000262682489 135312823 /nfs/dbraw/zinc/31/28/23/135312823.db2.gz WUUUBFUSXUGLLK-UHFFFAOYSA-N 0 3 225.292 0.289 20 0 BCADHN C[C@H](N[C@H]1CCCN(C)[C@@H]1C)C(=O)NC1CC1 ZINC000342718702 135314411 /nfs/dbraw/zinc/31/44/11/135314411.db2.gz FMDHPENJJVMGJN-UMNHJUIQSA-N 0 3 239.363 0.726 20 0 BCADHN C[C@H]1NCCN(C(=O)[C@@H]2CSC(=O)N2)[C@@H]1C ZINC000262719704 135315561 /nfs/dbraw/zinc/31/55/61/135315561.db2.gz FKILFXAFXSBTQF-PRJMDXOYSA-N 0 3 243.332 0.020 20 0 BCADHN COCCOCCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262749842 135316196 /nfs/dbraw/zinc/31/61/96/135316196.db2.gz GKIIMZATQTWBJE-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN COC(=O)CN(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000342735587 135316297 /nfs/dbraw/zinc/31/62/97/135316297.db2.gz IAFITZVAJGNDTK-AOOOYVTPSA-N 0 3 242.319 0.491 20 0 BCADHN COC(=O)CN(C)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000342735591 135316798 /nfs/dbraw/zinc/31/67/98/135316798.db2.gz IAFITZVAJGNDTK-UWVGGRQHSA-N 0 3 242.319 0.491 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cnn(C)c2)[C@H]1C ZINC000262804411 135318940 /nfs/dbraw/zinc/31/89/40/135318940.db2.gz PWWPFAXYVOVQJF-IUCAKERBSA-N 0 3 222.292 0.243 20 0 BCADHN CC(C)CNC(=O)N[C@H](C)CN(C)C ZINC000342906108 135334419 /nfs/dbraw/zinc/33/44/19/135334419.db2.gz FSLLJZZVEGWKDG-SECBINFHSA-N 0 3 201.314 0.892 20 0 BCADHN CC(C)[C@@H](O)CC(=O)N1CCN2CCC1CC2 ZINC000334337570 135357062 /nfs/dbraw/zinc/35/70/62/135357062.db2.gz WEPDSVYTSIPQMG-LBPRGKRZSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343133770 135359680 /nfs/dbraw/zinc/35/96/80/135359680.db2.gz RHOPYMHFWKNUBY-UTUOFQBUSA-N 0 3 237.347 0.149 20 0 BCADHN CCN1C[C@@H](C)[C@H](NCc2nnc3n2CCC3)C1 ZINC000343156305 135362909 /nfs/dbraw/zinc/36/29/09/135362909.db2.gz BFTPUFFGUVWPEF-GHMZBOCLSA-N 0 3 249.362 0.654 20 0 BCADHN CCN1C[C@H](NCc2nnc3n2CCC3)[C@@H](C)C1 ZINC000343156307 135362920 /nfs/dbraw/zinc/36/29/20/135362920.db2.gz BFTPUFFGUVWPEF-QWRGUYRKSA-N 0 3 249.362 0.654 20 0 BCADHN CCN1CCC(NC(=O)C2(C)COC2)CC1 ZINC000334345553 135366025 /nfs/dbraw/zinc/36/60/25/135366025.db2.gz UVOBLILUUJUESO-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1CCc1ccnn1C ZINC000334347245 135366908 /nfs/dbraw/zinc/36/69/08/135366908.db2.gz RCBAAQDNKXUVCR-NWDGAFQWSA-N 0 3 236.363 0.987 20 0 BCADHN CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000334353535 135369713 /nfs/dbraw/zinc/36/97/13/135369713.db2.gz YJJVJSQARCVSCH-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CN(C)C1CN(C(=O)c2cn3ccccc3n2)C1 ZINC000334357745 135370498 /nfs/dbraw/zinc/37/04/98/135370498.db2.gz QSQWIZUCVNYJJK-UHFFFAOYSA-N 0 3 244.298 0.720 20 0 BCADHN CC(C)N(C)CC(=O)N1CCOCC12CC2 ZINC000334357089 135371960 /nfs/dbraw/zinc/37/19/60/135371960.db2.gz OZPVAGQIJZSGNN-UHFFFAOYSA-N 0 3 226.320 0.718 20 0 BCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000334364236 135372603 /nfs/dbraw/zinc/37/26/03/135372603.db2.gz MPKWPPSWKKQBPV-LLVKDONJSA-N 0 3 241.335 0.017 20 0 BCADHN Cc1nnc(NC[C@H]2CCN(C)C2)nc1C ZINC000164493669 135380000 /nfs/dbraw/zinc/38/00/00/135380000.db2.gz ZKMDWVKAWGVOEE-SNVBAGLBSA-N 0 3 221.308 0.852 20 0 BCADHN Cc1nnc(NC[C@@H]2CCN(C)C2)nc1C ZINC000164493557 135380502 /nfs/dbraw/zinc/38/05/02/135380502.db2.gz ZKMDWVKAWGVOEE-JTQLQIEISA-N 0 3 221.308 0.852 20 0 BCADHN CCOC[C@H](O)CN1CC[C@H](C)[C@H](OC)C1 ZINC000299893014 135380831 /nfs/dbraw/zinc/38/08/31/135380831.db2.gz GOFQTXWTEBLVEH-QJPTWQEYSA-N 0 3 231.336 0.741 20 0 BCADHN CCOC[C@@H](O)CN1CCC[C@H](OC)C1 ZINC000299891612 135381448 /nfs/dbraw/zinc/38/14/48/135381448.db2.gz XFMLYSUFQFRJHO-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN C[C@H]1CCN(CCn2nc3ccccn3c2=O)C1 ZINC000334382144 135381461 /nfs/dbraw/zinc/38/14/61/135381461.db2.gz GBTDYULHYXGAOQ-NSHDSACASA-N 0 3 246.314 0.838 20 0 BCADHN C[C@@H]1CCN(CCn2nc3ccccn3c2=O)C1 ZINC000334382139 135381529 /nfs/dbraw/zinc/38/15/29/135381529.db2.gz GBTDYULHYXGAOQ-LLVKDONJSA-N 0 3 246.314 0.838 20 0 BCADHN C[C@@H]1CCN(CCc2cnn(C)c2)C[C@H]1O ZINC000299962804 135383007 /nfs/dbraw/zinc/38/30/07/135383007.db2.gz HUPWOOWCFFPAQI-ZYHUDNBSSA-N 0 3 223.320 0.665 20 0 BCADHN C[C@H]1CCN(CCc2ccnn2C)C[C@H]1O ZINC000299962683 135383419 /nfs/dbraw/zinc/38/34/19/135383419.db2.gz ZAAQRVPLYFHXLY-CMPLNLGQSA-N 0 3 223.320 0.665 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@H](C)[C@H](C)OC ZINC000299992180 135384292 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IKYMZKISCPGIDO-NEPJUHHUSA-N 0 3 229.320 0.685 20 0 BCADHN C[C@H](CNC(=O)[C@@]1(C)CCOC1)N(C)C ZINC000347848722 136012512 /nfs/dbraw/zinc/01/25/12/136012512.db2.gz MNXWLZQNZOUDSF-KOLCDFICSA-N 0 3 214.309 0.479 20 0 BCADHN CN(CCNC(=O)[C@]1(C)CCOC1)C1CC1 ZINC000348002451 136020556 /nfs/dbraw/zinc/02/05/56/136020556.db2.gz GFKPONOZTDGCDN-GFCCVEGCSA-N 0 3 226.320 0.623 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC1CCSCC1 ZINC000335305464 136022195 /nfs/dbraw/zinc/02/21/95/136022195.db2.gz VWFYFRHWSKYRTK-JGVFFNPUSA-N 0 3 200.307 0.345 20 0 BCADHN Cc1cc(C(=O)N(C)CCN(C)C)nc(C)n1 ZINC000348028641 136026999 /nfs/dbraw/zinc/02/69/99/136026999.db2.gz UPFNEIWALAQAJQ-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000335309683 136028767 /nfs/dbraw/zinc/02/87/67/136028767.db2.gz ZTKYGLCFQNRAGW-VHSXEESVSA-N 0 3 245.282 0.857 20 0 BCADHN COC(=O)c1cc(CN[C@@H](C)CCO)cn1C ZINC000348043634 136029049 /nfs/dbraw/zinc/02/90/49/136029049.db2.gz OBEWDFNXMNFWOL-VIFPVBQESA-N 0 3 240.303 0.672 20 0 BCADHN CCNC(=O)CN1CC[C@H](O)C12CCCC2 ZINC000335311582 136029746 /nfs/dbraw/zinc/02/97/46/136029746.db2.gz RSPMLEYYUBEHTC-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN CC(C)OC[C@@H](C)N[C@H]1CS(=O)(=O)C[C@H]1C ZINC000348118635 136032248 /nfs/dbraw/zinc/03/22/48/136032248.db2.gz OLZGSQQTCQFJMV-MXWKQRLJSA-N 0 3 249.376 0.823 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)[nH]n1 ZINC000335319555 136033436 /nfs/dbraw/zinc/03/34/36/136033436.db2.gz GLVNWNJVKLQIDR-UWVGGRQHSA-N 0 3 236.319 0.931 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000348074175 136034045 /nfs/dbraw/zinc/03/40/45/136034045.db2.gz LPSADBQEBVJGLG-UHFFFAOYSA-N 0 3 241.379 0.879 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C1CCN(C)CC1 ZINC000348074175 136034046 /nfs/dbraw/zinc/03/40/46/136034046.db2.gz LPSADBQEBVJGLG-UHFFFAOYSA-N 0 3 241.379 0.879 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1CCCNC1=O ZINC000348082091 136034870 /nfs/dbraw/zinc/03/48/70/136034870.db2.gz JEBOCUYYDHVVDY-USWWRNFRSA-N 0 3 237.347 0.337 20 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C[C@H]1CN(S(=O)(=O)C2CC2)C[C@@H]1N(C)C ZINC000335328775 136053111 /nfs/dbraw/zinc/05/31/11/136053111.db2.gz AJOOLNYFEGGFBW-WPRPVWTQSA-N 0 3 232.349 0.361 20 0 BCADHN C[C@@H]1CN(CC[C@@H]2CCCN2C)CC[S@]1=O ZINC000348207162 136054625 /nfs/dbraw/zinc/05/46/25/136054625.db2.gz CLMJNSNJFWDDMY-BFQNTYOBSA-N 0 3 244.404 0.924 20 0 BCADHN C[C@@H]1CN(CC[C@@H]2CCCN2C)CC[S@@]1=O ZINC000348207160 136054661 /nfs/dbraw/zinc/05/46/61/136054661.db2.gz CLMJNSNJFWDDMY-WQGACYEGSA-N 0 3 244.404 0.924 20 0 BCADHN CC[C@@H]1CN(CCC(=O)N(C)C)C[C@H](C)O1 ZINC000348248072 136056539 /nfs/dbraw/zinc/05/65/39/136056539.db2.gz VSQRISYPFNPVBD-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CO[C@H](C)CN1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000348248182 136056549 /nfs/dbraw/zinc/05/65/49/136056549.db2.gz OYSJQBDGBZPJOB-WOPDTQHZSA-N 0 3 229.320 0.901 20 0 BCADHN Cc1cnn(C)c1CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000348261871 136058031 /nfs/dbraw/zinc/05/80/31/136058031.db2.gz NCGBQHNVKDNMOF-GVXVVHGQSA-N 0 3 235.331 0.931 20 0 BCADHN O=S1(=O)CCC[C@H](N[C@@H]2C[C@@H]2C(F)F)C1 ZINC000348230796 136060373 /nfs/dbraw/zinc/06/03/73/136060373.db2.gz RIVGVSJDJOUQGF-BIIVOSGPSA-N 0 3 239.287 0.807 20 0 BCADHN O=S1(=O)CCC[C@H](N[C@H]2C[C@H]2C(F)F)C1 ZINC000348230801 136060388 /nfs/dbraw/zinc/06/03/88/136060388.db2.gz RIVGVSJDJOUQGF-RNJXMRFFSA-N 0 3 239.287 0.807 20 0 BCADHN Cc1ncc(C(=O)N2CCNC[C@](C)(F)C2)[nH]1 ZINC000335341301 136064235 /nfs/dbraw/zinc/06/42/35/136064235.db2.gz GSYPJZBVWBJUQK-NSHDSACASA-N 0 3 240.282 0.492 20 0 BCADHN CCN(C(=O)C(C)S(C)(=O)=O)C1CCC1 ZINC000348315475 136067890 /nfs/dbraw/zinc/06/78/90/136067890.db2.gz QKMGEAXNBOWZOI-QMMMGPOBSA-N 0 3 233.333 0.821 20 0 BCADHN CN(C)C(=O)CN1CCC[C@]2(CCCOC2)C1 ZINC000335355455 136070985 /nfs/dbraw/zinc/07/09/85/136070985.db2.gz HZZGWXOYFSZPFP-ZDUSSCGKSA-N 0 3 240.347 0.967 20 0 BCADHN Cc1cc(NC(=O)C2(N)CCC2)cn(C)c1=O ZINC000335379515 136086944 /nfs/dbraw/zinc/08/69/44/136086944.db2.gz LJUKNFYWZWFJCE-UHFFFAOYSA-N 0 3 235.287 0.514 20 0 BCADHN COC1CN(C(=O)C2CCN(C)CC2)C1 ZINC000335383695 136088230 /nfs/dbraw/zinc/08/82/30/136088230.db2.gz DIZNYUKPOTYROB-UHFFFAOYSA-N 0 3 212.293 0.185 20 0 BCADHN COCC1(C(=O)N2CCCNCC2)CCC1 ZINC000335389005 136090065 /nfs/dbraw/zinc/09/00/65/136090065.db2.gz HCTFKCPAULSLPO-UHFFFAOYSA-N 0 3 226.320 0.625 20 0 BCADHN C[C@]1(C(=O)N2CCCNCC2)CCCOC1 ZINC000335391501 136091114 /nfs/dbraw/zinc/09/11/14/136091114.db2.gz WRONMBPXINZSMV-LBPRGKRZSA-N 0 3 226.320 0.625 20 0 BCADHN C[C@H](C(N)=O)N1CCNC[C@@](C)(F)C1 ZINC000335394253 136091559 /nfs/dbraw/zinc/09/15/59/136091559.db2.gz FXZAHEPMHSQNIB-VXNVDRBHSA-N 0 3 203.261 0.544 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CCCC2)C[C@H]1C(N)=O ZINC000335397742 136093098 /nfs/dbraw/zinc/09/30/98/136093098.db2.gz WUEQRALIUUEJEA-RKDXNWHRSA-N 0 3 239.319 0.888 20 0 BCADHN Cc1c(C(=O)N(C)CCN)[nH]c2c1C(=O)CCC2 ZINC000335399886 136093702 /nfs/dbraw/zinc/09/37/02/136093702.db2.gz PLGCRRQDBLWALG-UHFFFAOYSA-N 0 3 249.314 0.873 20 0 BCADHN C[C@H]1CCCCN1CCS(=O)(=O)N(C)C 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0.151 20 0 BCADHN Cn1ccc(CNCCNC(=O)C2CC2)c1 ZINC000160681604 397771890 /nfs/dbraw/zinc/77/18/90/397771890.db2.gz SEBTYBLEOICIBW-UHFFFAOYSA-N 0 3 221.304 0.641 20 0 BCADHN COC[C@H](NCC(=O)N(C)C1CC1)C1CC1 ZINC000181569308 397810462 /nfs/dbraw/zinc/81/04/62/397810462.db2.gz NWZZXQRPSFNPRD-NSHDSACASA-N 0 3 226.320 0.622 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)[C@H]1CCOC1 ZINC000103450275 397780476 /nfs/dbraw/zinc/78/04/76/397780476.db2.gz AIFKKKDPJVQEMR-LBPRGKRZSA-N 0 3 240.347 0.823 20 0 BCADHN CN(C)CC(=O)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000647628408 397792999 /nfs/dbraw/zinc/79/29/99/397792999.db2.gz KXAPSXUFOXNLQR-GHMZBOCLSA-N 0 3 243.326 0.193 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCC(F)(F)CN ZINC000309253043 397854557 /nfs/dbraw/zinc/85/45/57/397854557.db2.gz FPFKKAYRHFHMIG-ZCFIWIBFSA-N 0 3 223.267 0.070 20 0 BCADHN CC[C@H](O)CN1CCN([C@H]2CCSC2)CC1 ZINC000363878480 397868147 /nfs/dbraw/zinc/86/81/47/397868147.db2.gz JTESKSOHTORVIU-RYUDHWBXSA-N 0 3 244.404 0.880 20 0 BCADHN C[C@H]1COCC[C@@H]1NCc1ncnn1CCF ZINC000440490695 397928168 /nfs/dbraw/zinc/92/81/68/397928168.db2.gz FXOKFTZJWSHZHG-UWVGGRQHSA-N 0 3 242.298 0.762 20 0 BCADHN CN(C)CCN(C)C(=O)NC[C@@]1(C)CCOC1 ZINC000356110989 397928275 /nfs/dbraw/zinc/92/82/75/397928275.db2.gz NGCHODHUUATWHW-GFCCVEGCSA-N 0 3 243.351 0.616 20 0 BCADHN CCc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2)cc1 ZINC000020434366 397964849 /nfs/dbraw/zinc/96/48/49/397964849.db2.gz VNZVGTQKUYAHBW-RYUDHWBXSA-N 0 3 234.299 0.910 20 0 BCADHN CC[C@@H](C(=O)NCC1(CO)CCCC1)N(C)C ZINC000186997601 397928617 /nfs/dbraw/zinc/92/86/17/397928617.db2.gz RKOYOBGBZNOYIA-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H]1C(=O)NCCN1C[C@H]1CCCN1C ZINC000649537345 397930858 /nfs/dbraw/zinc/93/08/58/397930858.db2.gz BXIFFIHPQMEKCF-GHMZBOCLSA-N 0 3 225.336 0.291 20 0 BCADHN CO[C@@H](CN[C@@H](C)C(=O)N(C)C)C1CC1 ZINC000382291623 397931744 /nfs/dbraw/zinc/93/17/44/397931744.db2.gz LCJJTGUSYDLGDA-WPRPVWTQSA-N 0 3 214.309 0.478 20 0 BCADHN CCc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2)cc1 ZINC000020434364 397965152 /nfs/dbraw/zinc/96/51/52/397965152.db2.gz VNZVGTQKUYAHBW-NEPJUHHUSA-N 0 3 234.299 0.910 20 0 BCADHN CN(C[C@@H]1CCCC[C@H]1O)[C@H]1CCNC1=O ZINC000408138311 397932993 /nfs/dbraw/zinc/93/29/93/397932993.db2.gz JLVBYVFZZXVEHG-GARJFASQSA-N 0 3 226.320 0.358 20 0 BCADHN CCO[C@@H]1COCC[C@H]1NCc1cnn(C)c1 ZINC000353156783 397934303 /nfs/dbraw/zinc/93/43/03/397934303.db2.gz SZCAWUIWVNXXSH-VXGBXAGGSA-N 0 3 239.319 0.704 20 0 BCADHN C[C@@H]1C[C@H](CN2CCC[C@H]2C(N)=O)CCO1 ZINC000408143770 397935977 /nfs/dbraw/zinc/93/59/77/397935977.db2.gz BXXKPLKMPQLBGE-MXWKQRLJSA-N 0 3 226.320 0.751 20 0 BCADHN Cc1nccnc1CCNCc1cn[nH]c1 ZINC000382347952 397936402 /nfs/dbraw/zinc/93/64/02/397936402.db2.gz FSCDPNGHSJYYED-UHFFFAOYSA-N 0 3 217.276 0.840 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@](C)(C(=O)OC)C1 ZINC000237043456 397936965 /nfs/dbraw/zinc/93/69/65/397936965.db2.gz YABKKYAMVLQUOP-KCJUWKMLSA-N 0 3 228.292 0.135 20 0 BCADHN C[C@@H](NCc1ccc2c(c1)C(=O)NCC2)[C@H](C)O ZINC000516922271 397937971 /nfs/dbraw/zinc/93/79/71/397937971.db2.gz RSTZLTXOZDBWOR-ZJUUUORDSA-N 0 3 248.326 0.831 20 0 BCADHN C[C@@H](CNC(=O)c1cncs1)N(C)C ZINC000357766611 397941191 /nfs/dbraw/zinc/94/11/91/397941191.db2.gz QHCYMYDWOJKFFD-ZETCQYMHSA-N 0 3 213.306 0.823 20 0 BCADHN CN1CCC(NC(=O)C2(O)CCC2)CC1 ZINC000336493050 397941791 /nfs/dbraw/zinc/94/17/91/397941791.db2.gz WBNYEQFJHUCQEG-UHFFFAOYSA-N 0 3 212.293 0.112 20 0 BCADHN O=C1CC[C@@H](CN2CCSC[C@@H]2CCO)N1 ZINC000649551004 397945414 /nfs/dbraw/zinc/94/54/14/397945414.db2.gz HPFHORJNFUPYPZ-UWVGGRQHSA-N 0 3 244.360 0.065 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C2CCC2)C1 ZINC000644815561 397947531 /nfs/dbraw/zinc/94/75/31/397947531.db2.gz PSLVXMIUTPIWJQ-QWRGUYRKSA-N 0 3 208.305 0.949 20 0 BCADHN O=C([C@H]1C[C@H](F)CN1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000446359008 397947653 /nfs/dbraw/zinc/94/76/53/397947653.db2.gz DGZGJRNXUBAPNK-UKKRHICBSA-N 0 3 241.310 0.039 20 0 BCADHN CCOC[C@H](O)CN1CC=C(COC)CC1 ZINC000360783524 397967369 /nfs/dbraw/zinc/96/73/69/397967369.db2.gz UYFLKBSCPYAPAA-GFCCVEGCSA-N 0 3 229.320 0.662 20 0 BCADHN O=C1CC[C@@H](CN2CCN3CCCC[C@H]3C2)N1 ZINC000649561376 397952075 /nfs/dbraw/zinc/95/20/75/397952075.db2.gz VLHORZQPTRYHQC-RYUDHWBXSA-N 0 3 237.347 0.435 20 0 BCADHN O=C1CC[C@@H](CN2CCC(c3c[nH]cn3)CC2)N1 ZINC000649563475 397953063 /nfs/dbraw/zinc/95/30/63/397953063.db2.gz RKPKFYOZCVFHTH-NSHDSACASA-N 0 3 248.330 0.868 20 0 BCADHN COC(=O)C1(NC(=O)/C=C/CN(C)C)CCC1 ZINC000269613368 397958149 /nfs/dbraw/zinc/95/81/49/397958149.db2.gz QIVVPUNDDCBJTH-GQCTYLIASA-N 0 3 240.303 0.316 20 0 BCADHN C[C@@H]1[C@H](O)CCN1CCOC[C@H]1CCCO1 ZINC000650187866 397968249 /nfs/dbraw/zinc/96/82/49/397968249.db2.gz GBMQBYLKYMGTGW-IJLUTSLNSA-N 0 3 229.320 0.637 20 0 BCADHN COCCn1cc(CN[C@@]2(C)CCOC2)cn1 ZINC000270024762 397960097 /nfs/dbraw/zinc/96/00/97/397960097.db2.gz AEUYCHRPHIJWKS-LBPRGKRZSA-N 0 3 239.319 0.798 20 0 BCADHN O=C1CC[C@@H](CN2CC[C@H](C(F)F)C2)N1 ZINC000649570954 397960986 /nfs/dbraw/zinc/96/09/86/397960986.db2.gz UCGBTXYGNDYHBE-YUMQZZPRSA-N 0 3 218.247 0.852 20 0 BCADHN C[C@@H]1SCC[C@@H]1NC(=O)NCCN(C)C ZINC000645917447 397961503 /nfs/dbraw/zinc/96/15/03/397961503.db2.gz SDUHOVQIBRIMGR-IUCAKERBSA-N 0 3 231.365 0.741 20 0 BCADHN C[C@H]1SCC[C@H]1NC(=O)NCCN(C)C ZINC000645917448 397961508 /nfs/dbraw/zinc/96/15/08/397961508.db2.gz SDUHOVQIBRIMGR-RKDXNWHRSA-N 0 3 231.365 0.741 20 0 BCADHN CC[C@@H](O)CNCc1cccnc1OC ZINC000037688861 397961678 /nfs/dbraw/zinc/96/16/78/397961678.db2.gz PLXQUXKACBUWFE-SNVBAGLBSA-N 0 3 210.277 0.951 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N2CC[C@@H]3CN(C)C[C@H]32)CO1 ZINC000644810479 397908192 /nfs/dbraw/zinc/90/81/92/397908192.db2.gz BXSGDLRRISVNOC-WISYIIOYSA-N 0 3 238.331 0.574 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N2CC[C@H]3CN(C)C[C@@H]32)CO1 ZINC000644810478 397908444 /nfs/dbraw/zinc/90/84/44/397908444.db2.gz BXSGDLRRISVNOC-RHYQMDGZSA-N 0 3 238.331 0.574 20 0 BCADHN Cc1cn[nH]c1CN(CCO)CC1CC1 ZINC000356057655 397926347 /nfs/dbraw/zinc/92/63/47/397926347.db2.gz DYHLDYMOUKNPNZ-UHFFFAOYSA-N 0 3 209.293 0.922 20 0 BCADHN OC[C@@H]1CC[C@H](CNCc2cn[nH]c2)O1 ZINC000382238522 397926594 /nfs/dbraw/zinc/92/65/94/397926594.db2.gz QZRILZSRSWXPFW-ZJUUUORDSA-N 0 3 211.265 0.039 20 0 BCADHN CCN[C@@H](C)C(=O)N(CC)C[C@@H]1CCOC1 ZINC000637929450 398044372 /nfs/dbraw/zinc/04/43/72/398044372.db2.gz AMUYJBXIKMEYRF-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN Cn1ccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC000644818008 397997227 /nfs/dbraw/zinc/99/72/27/397997227.db2.gz MBRWTSPEUSFSPD-JQWIXIFHSA-N 0 3 233.315 0.801 20 0 BCADHN O=C1NCCCC[C@H]1N1C[C@@H](O)C2(CC2)C1 ZINC000372286755 397999558 /nfs/dbraw/zinc/99/95/58/397999558.db2.gz BYLNWFVAYHAZFN-NXEZZACHSA-N 0 3 224.304 0.112 20 0 BCADHN CN(C[C@H]1CCCC[C@H]1O)C(C)(C)C(N)=O ZINC000649619357 398002139 /nfs/dbraw/zinc/00/21/39/398002139.db2.gz JPMZWNDJNHGYMT-NXEZZACHSA-N 0 3 228.336 0.733 20 0 BCADHN C1OCC1N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000372323859 398002791 /nfs/dbraw/zinc/00/27/91/398002791.db2.gz BVPZOLBFIFRMMD-OLZOCXBDSA-N 0 3 240.347 0.618 20 0 BCADHN CC1(C)CN(C[C@@H]2CCC(=O)N2)[C@@H]2COC[C@@H]21 ZINC000649623767 398007869 /nfs/dbraw/zinc/00/78/69/398007869.db2.gz ANCYDELZXLLOQW-GARJFASQSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@H](C(N)=O)N(C)C[C@H]1CCCOC1 ZINC000246303517 398008237 /nfs/dbraw/zinc/00/82/37/398008237.db2.gz DXLZPSVLPWPHNO-RKDXNWHRSA-N 0 3 200.282 0.219 20 0 BCADHN COCCOCCCNC(=O)[C@H](C)NC1CC1 ZINC000383224133 398010284 /nfs/dbraw/zinc/01/02/84/398010284.db2.gz BMFQZGHQLFZBPS-JTQLQIEISA-N 0 3 244.335 0.296 20 0 BCADHN Cn1ccnc1[C@H]1CCCN(CCCO)C1 ZINC000373116480 398013752 /nfs/dbraw/zinc/01/37/52/398013752.db2.gz WLTQUWLJZJOMGF-NSHDSACASA-N 0 3 223.320 0.982 20 0 BCADHN C[C@@H]1C(=O)N(C)CN1C[C@H]1CCCN1C ZINC000649635827 398016919 /nfs/dbraw/zinc/01/69/19/398016919.db2.gz CESXPCVNLNKVNU-NXEZZACHSA-N 0 3 211.309 0.201 20 0 BCADHN Cn1ccc(CN2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000279448821 398047373 /nfs/dbraw/zinc/04/73/73/398047373.db2.gz PZNFMJDCPURFMH-ZDUSSCGKSA-N 0 3 233.315 0.737 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000054074154 398024986 /nfs/dbraw/zinc/02/49/86/398024986.db2.gz TYMJTRYATMNXAM-ZETCQYMHSA-N 0 3 236.275 0.724 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cccc(NC(N)=O)c1 ZINC000054074142 398025244 /nfs/dbraw/zinc/02/52/44/398025244.db2.gz URLPWSCEDYPFKF-ZETCQYMHSA-N 0 3 236.275 0.724 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc(OC)c(O)c1 ZINC000054074123 398025481 /nfs/dbraw/zinc/02/54/81/398025481.db2.gz RMMKEESJDWQBOS-ZETCQYMHSA-N 0 3 224.260 0.947 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000054073670 398025509 /nfs/dbraw/zinc/02/55/09/398025509.db2.gz VFIQARXNWNJMLD-LURJTMIESA-N 0 3 239.250 0.471 20 0 BCADHN CN(C)S(=O)(=O)CCN1CCC12CCCC2 ZINC000649658199 398026083 /nfs/dbraw/zinc/02/60/83/398026083.db2.gz CAQQJGSQFQJRTN-UHFFFAOYSA-N 0 3 246.376 0.896 20 0 BCADHN C[C@H](O)COC(=O)CCN1CCOCC[C@@H]1C ZINC000376447194 398027096 /nfs/dbraw/zinc/02/70/96/398027096.db2.gz IQAMWKVFCVFTCI-QWRGUYRKSA-N 0 3 245.319 0.411 20 0 BCADHN Cc1nnc([C@H]2CCCN(C[C@H](C)O)C2)o1 ZINC000649658963 398028624 /nfs/dbraw/zinc/02/86/24/398028624.db2.gz DRXZQPUNPISQFR-WPRPVWTQSA-N 0 3 225.292 0.938 20 0 BCADHN CC[C@H](N)C(=O)Nc1c(C)ccn(C)c1=O ZINC000491003123 398030547 /nfs/dbraw/zinc/03/05/47/398030547.db2.gz ONULXUIXAMTBQB-QMMMGPOBSA-N 0 3 223.276 0.370 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCC(C2(O)CC2)CC1 ZINC000649670265 398031685 /nfs/dbraw/zinc/03/16/85/398031685.db2.gz GKYYARBQADSJLQ-LBPRGKRZSA-N 0 3 241.331 0.563 20 0 BCADHN OC1(C2CCN(C[C@H]3COCCO3)CC2)CC1 ZINC000649670348 398032152 /nfs/dbraw/zinc/03/21/52/398032152.db2.gz IROUDFZRZKJUDZ-LBPRGKRZSA-N 0 3 241.331 0.639 20 0 BCADHN C[C@@H](N)C(=O)NCc1cn2ccccc2n1 ZINC000083909161 398035825 /nfs/dbraw/zinc/03/58/25/398035825.db2.gz RJBGDSFNXYARPV-MRVPVSSYSA-N 0 3 218.260 0.298 20 0 BCADHN CCCN1CCN(CCN(C)C)C(=O)C1 ZINC000649688271 398036215 /nfs/dbraw/zinc/03/62/15/398036215.db2.gz YDICYVBLCJBUGJ-UHFFFAOYSA-N 0 3 213.325 0.102 20 0 BCADHN CN(C)CCN1CCN(CC2CC2)CC1=O ZINC000649686926 398036400 /nfs/dbraw/zinc/03/64/00/398036400.db2.gz BBINDPQPQBIFQI-UHFFFAOYSA-N 0 3 225.336 0.102 20 0 BCADHN CCC[C@H](C)[C@H](CO)NCc1n[nH]c(C)n1 ZINC000649691900 398038491 /nfs/dbraw/zinc/03/84/91/398038491.db2.gz YACLCMZIVBFRIT-WPRPVWTQSA-N 0 3 226.324 1.000 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cccn3C)[C@H]2C1 ZINC000644821849 398038840 /nfs/dbraw/zinc/03/88/40/398038840.db2.gz HNSDKFQZXMIDNX-PWSUYJOCSA-N 0 3 233.315 0.801 20 0 BCADHN COc1cccnc1NC(=O)[C@@H](CN)OC ZINC000564725101 398039152 /nfs/dbraw/zinc/03/91/52/398039152.db2.gz BWVPLEGGCXQREB-MRVPVSSYSA-N 0 3 225.248 0.002 20 0 BCADHN CNCC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000568084346 398039714 /nfs/dbraw/zinc/03/97/14/398039714.db2.gz KTGYNSJBJOKEQW-JTQLQIEISA-N 0 3 236.319 0.031 20 0 BCADHN CCC[C@]1(CO)CCN(CC(=O)N(C)C)C1 ZINC000367373992 397969466 /nfs/dbraw/zinc/96/94/66/397969466.db2.gz YZOXIDXWLPVQSM-LBPRGKRZSA-N 0 3 228.336 0.559 20 0 BCADHN CS[C@H]1CCN(C[C@@](C)(O)C(C)=O)C1 ZINC000451323961 397972358 /nfs/dbraw/zinc/97/23/58/397972358.db2.gz JUERQLDZMQHRGQ-VHSXEESVSA-N 0 3 217.334 0.764 20 0 BCADHN CC(C(=O)N1C[C@@H](C)OC[C@@H]1C)S(C)(=O)=O ZINC000408170988 397973864 /nfs/dbraw/zinc/97/38/64/397973864.db2.gz ZGCILQGOBRGMOT-DJLDLDEBSA-N 0 3 249.332 0.055 20 0 BCADHN CN(CCN1CCCOCC1)CC1(O)CCC1 ZINC000361328135 397975701 /nfs/dbraw/zinc/97/57/01/397975701.db2.gz HOVMUCWNFRFGKJ-UHFFFAOYSA-N 0 3 242.363 0.556 20 0 BCADHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)C(=O)N(C)C ZINC000362021471 397978591 /nfs/dbraw/zinc/97/85/91/397978591.db2.gz ZCNFSOHSNVCADB-GARJFASQSA-N 0 3 244.335 0.247 20 0 BCADHN C[C@H]1SCCN(CCC(=O)NC(N)=O)[C@H]1C ZINC000118418943 397983539 /nfs/dbraw/zinc/98/35/39/397983539.db2.gz RCZGIYRZZGOMRP-JGVFFNPUSA-N 0 3 245.348 0.397 20 0 BCADHN COC[C@H](NC[C@@H]1CCC(=O)N1)[C@@H]1CCCO1 ZINC000649595546 397983840 /nfs/dbraw/zinc/98/38/40/397983840.db2.gz PPEBBCSCIMOKAT-DCAQKATOSA-N 0 3 242.319 0.049 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CC[C@@H](CCCO)C1 ZINC000452130723 397984243 /nfs/dbraw/zinc/98/42/43/397984243.db2.gz OJBLDCBPQLYWFP-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CC[C@H](CCCO)C1 ZINC000452132523 397984349 /nfs/dbraw/zinc/98/43/49/397984349.db2.gz QUGBUBRHJUUYDK-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2CCC(=O)N2)CCCO1 ZINC000649597020 397984384 /nfs/dbraw/zinc/98/43/84/397984384.db2.gz SOXDZQRCDNHIHQ-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H](CO)CN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000650204824 397984689 /nfs/dbraw/zinc/98/46/89/397984689.db2.gz MZQBMYOEJABBAA-YIZRAAEISA-N 0 3 241.253 0.860 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@H](CCCO)C1 ZINC000452136131 397985094 /nfs/dbraw/zinc/98/50/94/397985094.db2.gz XJUHWWVSUWSEDC-MNOVXSKESA-N 0 3 240.347 0.748 20 0 BCADHN CCN(C(=O)NC[C@@](C)(O)CN(C)C)C(C)C ZINC000119163510 397985718 /nfs/dbraw/zinc/98/57/18/397985718.db2.gz VMBPGGOBRSJNKE-GFCCVEGCSA-N 0 3 245.367 0.739 20 0 BCADHN C[C@H]1C(=O)NCCCN1C[C@H]1CCCN1C ZINC000649592240 397986445 /nfs/dbraw/zinc/98/64/45/397986445.db2.gz YQOKWXIGTUKEHZ-WDEREUQCSA-N 0 3 225.336 0.291 20 0 BCADHN CO[C@H]1CN[C@@](C)(C(=O)Nc2cnn(C)c2)C1 ZINC000637929571 398044151 /nfs/dbraw/zinc/04/41/51/398044151.db2.gz MSQKMBIUJMEYIH-MWLCHTKSSA-N 0 3 238.291 0.126 20 0 BCADHN CC[C@](C)(CN1CCN(C[C@H](C)O)CC1)OC ZINC000638025877 398063310 /nfs/dbraw/zinc/06/33/10/398063310.db2.gz JNYZUAIROADUOB-QWHCGFSZSA-N 0 3 244.379 0.800 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC000054149900 398063780 /nfs/dbraw/zinc/06/37/80/398063780.db2.gz IPXJXPAMMHAWTP-JTQLQIEISA-N 0 3 236.319 0.932 20 0 BCADHN CNC(=O)[C@H](N[C@H](C)COC)C(C)C ZINC000186399462 398065675 /nfs/dbraw/zinc/06/56/75/398065675.db2.gz VHGDFHDNVVGIPI-RKDXNWHRSA-N 0 3 202.298 0.382 20 0 BCADHN COCC[C@H](CO)NCc1cnccc1C ZINC000282106477 398065841 /nfs/dbraw/zinc/06/58/41/398065841.db2.gz DNFNVRUGBWFCTN-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN C[C@@H]1C[C@H](O)CN(Cc2cnn(C)c2)C1 ZINC000334747728 398066610 /nfs/dbraw/zinc/06/66/10/398066610.db2.gz VQXSJGFPIKBXAM-KOLCDFICSA-N 0 3 209.293 0.623 20 0 BCADHN CCOCCn1cc([C@](C)(N)CC)nn1 ZINC000384170220 398068818 /nfs/dbraw/zinc/06/88/18/398068818.db2.gz MQNXCMCFLRLXTP-SNVBAGLBSA-N 0 3 212.297 0.899 20 0 BCADHN CO[C@@]1(CNCc2conc2C)CCOC1 ZINC000339350991 398070835 /nfs/dbraw/zinc/07/08/35/398070835.db2.gz HRZWWTHHQKKRSO-LLVKDONJSA-N 0 3 226.276 0.878 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@@H](C)[C@@H](C)CO ZINC000353472038 398071567 /nfs/dbraw/zinc/07/15/67/398071567.db2.gz PQGSUXPMDNJNFG-AEJSXWLSSA-N 0 3 231.340 0.253 20 0 BCADHN CC[C@@](C)(N)c1cn(CC(C)(C)O)nn1 ZINC000384180354 398072220 /nfs/dbraw/zinc/07/22/20/398072220.db2.gz PVAICRMQPBCEMW-SNVBAGLBSA-N 0 3 212.297 0.633 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C(=O)OC)C(C)(C)C ZINC000602465078 398072975 /nfs/dbraw/zinc/07/29/75/398072975.db2.gz QQOSXJHMJRDLBQ-BDAKNGLRSA-N 0 3 244.335 0.688 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C(=O)OC)C(C)(C)C ZINC000602465079 398073101 /nfs/dbraw/zinc/07/31/01/398073101.db2.gz QQOSXJHMJRDLBQ-IUCAKERBSA-N 0 3 244.335 0.688 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2nccn2C)nn1 ZINC000384205004 398074876 /nfs/dbraw/zinc/07/48/76/398074876.db2.gz MYMWSSZBXYCVBJ-NSHDSACASA-N 0 3 234.307 0.644 20 0 BCADHN CC[C@](C)(N)c1cn([C@@H](C)C(=O)N(C)C)nn1 ZINC000384200037 398074917 /nfs/dbraw/zinc/07/49/17/398074917.db2.gz LEIMDIRQDYNWBK-KWQFWETISA-N 0 3 239.323 0.511 20 0 BCADHN CC1(C)COC[C@H]1N[C@@H]1CCCCNC1=O ZINC000312989875 398075036 /nfs/dbraw/zinc/07/50/36/398075036.db2.gz WODQODCPIIHLIV-NXEZZACHSA-N 0 3 226.320 0.670 20 0 BCADHN CC1(C)COC[C@@H]1N[C@H]1CCCCNC1=O ZINC000312989878 398075142 /nfs/dbraw/zinc/07/51/42/398075142.db2.gz WODQODCPIIHLIV-UWVGGRQHSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H](N)C(=O)NCCCc1nnc2ccccn21 ZINC000340176576 398075539 /nfs/dbraw/zinc/07/55/39/398075539.db2.gz HDDHGBDCRYIGFE-SECBINFHSA-N 0 3 247.302 0.125 20 0 BCADHN CC(C)c1noc(CCCNC(=O)[C@H](C)N)n1 ZINC000340176670 398075753 /nfs/dbraw/zinc/07/57/53/398075753.db2.gz RPKZSRCEPFZVTN-QMMMGPOBSA-N 0 3 240.307 0.589 20 0 BCADHN C[C@H](O)CN1CC=C(c2ccnn2C)CC1 ZINC000285653015 398079870 /nfs/dbraw/zinc/07/98/70/398079870.db2.gz PHJIVNVNBUTYEP-JTQLQIEISA-N 0 3 221.304 0.890 20 0 BCADHN CC(C)N(CC(N)=O)C[C@H](O)CC(F)(F)F ZINC000188641945 398080970 /nfs/dbraw/zinc/08/09/70/398080970.db2.gz QSNDEELAHBVYJO-SSDOTTSWSA-N 0 3 242.241 0.495 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1Cc1cccnc1C ZINC000649745033 398082876 /nfs/dbraw/zinc/08/28/76/398082876.db2.gz YEACURIIJWXFRU-QWHCGFSZSA-N 0 3 236.315 0.972 20 0 BCADHN Cc1cn2c(n1)CC[C@H](N[C@@H]1CCN(C)C1=O)C2 ZINC000116391117 398089985 /nfs/dbraw/zinc/08/99/85/398089985.db2.gz BGRQSJZIQHHKGG-WDEREUQCSA-N 0 3 248.330 0.327 20 0 BCADHN CC(C)NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000613393165 398096073 /nfs/dbraw/zinc/09/60/73/398096073.db2.gz NMEFFWSXMFBSPX-UWVGGRQHSA-N 0 3 211.309 0.740 20 0 BCADHN CCCN1CC[C@H](NC(=O)CCCCO)C1 ZINC000389433546 398091432 /nfs/dbraw/zinc/09/14/32/398091432.db2.gz ZFQXZJZBVPDIIK-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC[C@@](C)(O)C1 ZINC000192774066 398108778 /nfs/dbraw/zinc/10/87/78/398108778.db2.gz RTKUEQRDEUONIW-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN CCOCCO[C@H]1CCN(C[C@@H](C)O)C1 ZINC000192767571 398109020 /nfs/dbraw/zinc/10/90/20/398109020.db2.gz DJSJNBWRNCOEMV-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC([C@@H](C)CO)CC1 ZINC000649797734 398105949 /nfs/dbraw/zinc/10/59/49/398105949.db2.gz GMQRCUHOAJYIPX-GXFFZTMASA-N 0 3 243.347 0.667 20 0 BCADHN C[C@@H]1CCN(CCOCCO)CCS1 ZINC000192174609 398105981 /nfs/dbraw/zinc/10/59/81/398105981.db2.gz GTRXREBGIJWIIS-SNVBAGLBSA-N 0 3 219.350 0.823 20 0 BCADHN C[C@H](CO)C1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000649798131 398106656 /nfs/dbraw/zinc/10/66/56/398106656.db2.gz QKMQKONPPCLZKA-PWSUYJOCSA-N 0 3 240.347 0.605 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000522059946 398107441 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/nfs/dbraw/zinc/61/72/42/487617242.db2.gz OSBZNPLRPNYMGG-UHFFFAOYSA-N 0 3 239.363 0.444 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000653275393 410560645 /nfs/dbraw/zinc/56/06/45/410560645.db2.gz DRFQFNRJKBSHOF-IONNQARKSA-N 0 3 218.247 0.981 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)[C@H](O)C1CC1 ZINC000668830211 487617471 /nfs/dbraw/zinc/61/74/71/487617471.db2.gz WYUXSTUSJTVMAE-VXGBXAGGSA-N 0 3 240.347 0.748 20 0 BCADHN CCN1C[C@H](CNCc2nccn2C)CC1=O ZINC000652000711 410562744 /nfs/dbraw/zinc/56/27/44/410562744.db2.gz BRFXOEABIIQNTL-JTQLQIEISA-N 0 3 236.319 0.378 20 0 BCADHN CC(C)NC(=O)[C@@H](C)n1cc(C(C)(C)N)nn1 ZINC000070117979 410664425 /nfs/dbraw/zinc/66/44/25/410664425.db2.gz IFIAWPBRUJHSSJ-MRVPVSSYSA-N 0 3 239.323 0.558 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H](C)[C@H](O)C1 ZINC000337439406 169764669 /nfs/dbraw/zinc/76/46/69/169764669.db2.gz CMAAOEAOHRMYJC-VHSXEESVSA-N 0 3 214.309 0.167 20 0 BCADHN C[C@H]1CCN([C@H]2CC(=O)NC2=O)CC12CCC2 ZINC000653280765 410635503 /nfs/dbraw/zinc/63/55/03/410635503.db2.gz IUCVESUCVSEWOM-UWVGGRQHSA-N 0 3 236.315 0.914 20 0 BCADHN C[C@@H]1CCN([C@H]2CC(=O)NC2=O)CC12CCC2 ZINC000653280767 410635573 /nfs/dbraw/zinc/63/55/73/410635573.db2.gz IUCVESUCVSEWOM-ZJUUUORDSA-N 0 3 236.315 0.914 20 0 BCADHN CCN(C)C(=O)CNC[C@H](OC)C1CC1 ZINC000393529059 410746705 /nfs/dbraw/zinc/74/67/05/410746705.db2.gz VOWXKOVGVUPTQJ-JTQLQIEISA-N 0 3 214.309 0.479 20 0 BCADHN CN[C@H](C)C(=O)N[C@@H]1CCC[C@H](F)C1 ZINC000655482978 410736473 /nfs/dbraw/zinc/73/64/73/410736473.db2.gz CCDCTHBXZHUZLV-HRDYMLBCSA-N 0 3 202.273 0.991 20 0 BCADHN CO[C@@H](CN[C@H](C)C(=O)NC(C)C)C1CC1 ZINC000393941532 410768833 /nfs/dbraw/zinc/76/88/33/410768833.db2.gz JDYHMNZVEMEHRF-KOLCDFICSA-N 0 3 228.336 0.914 20 0 BCADHN CCn1ccc(CC(=O)NC[C@H](C)N(C)C)n1 ZINC000651088925 410791557 /nfs/dbraw/zinc/79/15/57/410791557.db2.gz RTJJBJVVUGVVNC-JTQLQIEISA-N 0 3 238.335 0.512 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1ncc(C)cc1C ZINC000655489321 410797862 /nfs/dbraw/zinc/79/78/62/410797862.db2.gz XWFLMYICOGCJMH-NSHDSACASA-N 0 3 235.331 0.965 20 0 BCADHN Cc1cnc(CCNC(=O)C2(N)CC2)c(C)c1 ZINC000655488740 410800271 /nfs/dbraw/zinc/80/02/71/410800271.db2.gz MMAXSHQCTLOBPE-UHFFFAOYSA-N 0 3 233.315 0.848 20 0 BCADHN COCC1(CNC(=O)[C@@H](N)CC(F)F)CC1 ZINC000655490150 410802957 /nfs/dbraw/zinc/80/29/57/410802957.db2.gz FZIJWOCGURVDFI-ZETCQYMHSA-N 0 3 236.262 0.512 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H]1CCCN(C)C1 ZINC000040673761 410886696 /nfs/dbraw/zinc/88/66/96/410886696.db2.gz KQCICCNIEJTDAY-PWSUYJOCSA-N 0 3 227.352 0.714 20 0 BCADHN C[NH2+]C[C@H](C)NC(=O)c1cc(OC)ccc1[O-] ZINC000310309688 487618979 /nfs/dbraw/zinc/61/89/79/487618979.db2.gz SUNKDPXMFJSAFL-QMMMGPOBSA-N 0 3 238.287 0.739 20 0 BCADHN C[C@H](O)[C@H](C)NCC(=O)Nc1ccccc1 ZINC000395773926 410861081 /nfs/dbraw/zinc/86/10/81/410861081.db2.gz SLLOAVZHXCRTDL-UWVGGRQHSA-N 0 3 222.288 0.984 20 0 BCADHN C[C@H](CNC(=O)Cc1ccccc1N)N(C)C ZINC000040338906 410868460 /nfs/dbraw/zinc/86/84/60/410868460.db2.gz PSTPLVRYIONYBX-SNVBAGLBSA-N 0 3 235.331 0.878 20 0 BCADHN CC(C)CN[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000377695705 167012241 /nfs/dbraw/zinc/01/22/41/167012241.db2.gz JOHYTQNXYYOPIO-SNVBAGLBSA-N 0 3 236.319 0.771 20 0 BCADHN CC(C)NC(=O)CN1C[C@H](C)[C@@H](CO)C1 ZINC000362087876 167053421 /nfs/dbraw/zinc/05/34/21/167053421.db2.gz NXNNHAXMXUIFQO-VHSXEESVSA-N 0 3 214.309 0.071 20 0 BCADHN Cc1nccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)n1 ZINC000396907688 410902606 /nfs/dbraw/zinc/90/26/06/410902606.db2.gz GFVMKFIZEHPKSG-BDAKNGLRSA-N 0 3 234.303 0.607 20 0 BCADHN CC(C)N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375503811 167026665 /nfs/dbraw/zinc/02/66/65/167026665.db2.gz ZDONNDABISZMOC-RNFRBKRXSA-N 0 3 224.226 0.990 20 0 BCADHN CC(C)NC(=O)CCN1CCN(C)[C@H](C)[C@@H]1C ZINC000356977216 167040004 /nfs/dbraw/zinc/04/00/04/167040004.db2.gz CKQSEMNYJWXCOT-NEPJUHHUSA-N 0 3 241.379 0.926 20 0 BCADHN CC(C)NC(=O)CCNC(=O)[C@@H]1CCCN1C ZINC000330777033 167042716 /nfs/dbraw/zinc/04/27/16/167042716.db2.gz JSUYAVLUMHXKIQ-JTQLQIEISA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)NC(=O)CN(CC1CCC1)[C@H](C)CO ZINC000361492504 167052825 /nfs/dbraw/zinc/05/28/25/167052825.db2.gz IVPXLNPHYIUCLD-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)NC(=O)CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228101095 167054465 /nfs/dbraw/zinc/05/44/65/167054465.db2.gz WTHOGKZTTKOGFT-HBNTYKKESA-N 0 3 226.320 0.214 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H]2CCN(C)C[C@H]21 ZINC000370203585 167054588 /nfs/dbraw/zinc/05/45/88/167054588.db2.gz ITKVHJXPKYXLJW-VXGBXAGGSA-N 0 3 239.363 0.537 20 0 BCADHN CC(C)NC(=O)CNC(=O)c1cccc(CN)c1 ZINC000036781378 167056503 /nfs/dbraw/zinc/05/65/03/167056503.db2.gz IHNODIRLGNHWNQ-UHFFFAOYSA-N 0 3 249.314 0.400 20 0 BCADHN CC(C)NC(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000035735925 167058305 /nfs/dbraw/zinc/05/83/05/167058305.db2.gz IJDZMAJQZYNIIJ-VHSXEESVSA-N 0 3 214.309 0.668 20 0 BCADHN CC(C)NC(=O)CN[C@H]1CCCSC1 ZINC000061573231 167060414 /nfs/dbraw/zinc/06/04/14/167060414.db2.gz OWFFGAYEFJPHIW-VIFPVBQESA-N 0 3 216.350 0.996 20 0 BCADHN CC(C)NCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000037821590 167096981 /nfs/dbraw/zinc/09/69/81/167096981.db2.gz IBLATEUIWDFNCV-UWVGGRQHSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)NCC(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000043427609 167097796 /nfs/dbraw/zinc/09/77/96/167097796.db2.gz FYGNGTXOGLQWRW-WDEREUQCSA-N 0 3 226.320 0.764 20 0 BCADHN CCN(CC[NH3+])C(=O)c1ccccc1[O-] ZINC000041055724 410905141 /nfs/dbraw/zinc/90/51/41/410905141.db2.gz ATKYARWOQCUDGJ-UHFFFAOYSA-N 0 3 208.261 0.813 20 0 BCADHN CC(C)OC(=O)CCN(C)C1CC(O)C1 ZINC000353493647 167152488 /nfs/dbraw/zinc/15/24/88/167152488.db2.gz XKFLISWRRVXKET-UHFFFAOYSA-N 0 3 215.293 0.783 20 0 BCADHN CC(C)OC(=O)[C@H](C)CNC(=O)[C@H](C)N ZINC000119390082 167170457 /nfs/dbraw/zinc/17/04/57/167170457.db2.gz BZWHJRAKEYYPJQ-SFYZADRCSA-N 0 3 216.281 0.038 20 0 BCADHN CC(C)OC1CC(N[C@H]2CC(=O)N(C)C2)C1 ZINC000309591712 167176770 /nfs/dbraw/zinc/17/67/70/167176770.db2.gz VAFCDWJKLPDRNO-YVNMAJEFSA-N 0 3 226.320 0.763 20 0 BCADHN CC(C)OCCCNC(=O)C1(N)CCOCC1 ZINC000127867194 167219119 /nfs/dbraw/zinc/21/91/19/167219119.db2.gz UIGIGHQQPVAFHQ-UHFFFAOYSA-N 0 3 244.335 0.426 20 0 BCADHN CC(C)OC[C@@H](C)N[C@@H]1CCS(=O)(=O)C1 ZINC000308824016 167256928 /nfs/dbraw/zinc/25/69/28/167256928.db2.gz DBBUCGOYNCKILJ-NXEZZACHSA-N 0 3 235.349 0.577 20 0 BCADHN CC(C)OC[C@@H](C)N[C@@H]1CC(=O)N(C)C1 ZINC000336760614 167257198 /nfs/dbraw/zinc/25/71/98/167257198.db2.gz MGSPTQXUNFSHPX-NXEZZACHSA-N 0 3 214.309 0.620 20 0 BCADHN CC(C)Oc1ccc(CNC[C@@H](O)CO)cc1 ZINC000090282255 167295129 /nfs/dbraw/zinc/29/51/29/167295129.db2.gz OGXITHNUKWULMQ-GFCCVEGCSA-N 0 3 239.315 0.917 20 0 BCADHN CC(C)[C@@H](C(=O)NCCO)N1CCCCC1 ZINC000331147844 167341443 /nfs/dbraw/zinc/34/14/43/167341443.db2.gz MRASWCSHJTVIAJ-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)[C@@H](C(=O)NCCc1cn[nH]c1)N(C)C ZINC000290513945 167342049 /nfs/dbraw/zinc/34/20/49/167342049.db2.gz JWNBKGDFBHKRCS-NSHDSACASA-N 0 3 238.335 0.655 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@H](CO)C1CC1)N(C)C ZINC000359777011 167342436 /nfs/dbraw/zinc/34/24/36/167342436.db2.gz DPBLEOXCUKQZRG-NEPJUHHUSA-N 0 3 242.363 0.707 20 0 BCADHN CC(C)[C@@H](C(=O)NCCC1(O)CCC1)N(C)C ZINC000357162657 167342501 /nfs/dbraw/zinc/34/25/01/167342501.db2.gz PQMIDGURNNDTSS-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@@H](C(=O)NCC1(O)CCC1)N(C)C ZINC000332067386 167342528 /nfs/dbraw/zinc/34/25/28/167342528.db2.gz SQCRJACVIWYYDN-JTQLQIEISA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCn2nccc21)N(C)C ZINC000367652592 167343350 /nfs/dbraw/zinc/34/33/50/167343350.db2.gz FTNXTZGBMFVQBN-NSHDSACASA-N 0 3 236.319 0.816 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H](C)CO)N1CCCCC1 ZINC000331212216 167345143 /nfs/dbraw/zinc/34/51/43/167345143.db2.gz JXRMPMOVZZBTNQ-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H](C)C[C@H](C)O)N(C)C ZINC000341932996 167345642 /nfs/dbraw/zinc/34/56/42/167345642.db2.gz SABKSUZGBLTJHF-DCAQKATOSA-N 0 3 230.352 0.848 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H]1CCOC1)N(C)C ZINC000337434962 167345716 /nfs/dbraw/zinc/34/57/16/167345716.db2.gz AQIRVYRFFSAQLZ-ZJUUUORDSA-N 0 3 214.309 0.478 20 0 BCADHN CC(C)[C@@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000069685308 167351869 /nfs/dbraw/zinc/35/18/69/167351869.db2.gz QEHZRJYEXPXGTI-NXEZZACHSA-N 0 3 214.309 0.383 20 0 BCADHN CC(C)[C@@H](CCO)N[C@@H](C)c1nncn1C ZINC000336685346 167392515 /nfs/dbraw/zinc/39/25/15/167392515.db2.gz UARAXPXOBIZUJB-VHSXEESVSA-N 0 3 226.324 0.873 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)/C=C/CN(C)C ZINC000272204996 167402244 /nfs/dbraw/zinc/40/22/44/167402244.db2.gz QKADWJOLSQUWHH-BRAIEQGRSA-N 0 3 214.309 0.237 20 0 BCADHN NC1(C(=O)Nc2cc(C3CC3)[nH]n2)CCC1 ZINC000335397136 410963831 /nfs/dbraw/zinc/96/38/31/410963831.db2.gz KVPWDRUKVBJNAU-UHFFFAOYSA-N 0 3 220.276 1.107 20 0 BCADHN Cc1ncc(CN[C@H](CO)CCF)cn1 ZINC000652017209 410981011 /nfs/dbraw/zinc/98/10/11/410981011.db2.gz QEMOUVXBRLWOOT-JTQLQIEISA-N 0 3 213.256 0.595 20 0 BCADHN Cc1n[nH]c(C)c1CN[C@@H](CO)CCF ZINC000652017317 410981752 /nfs/dbraw/zinc/98/17/52/410981752.db2.gz SSDAFKKRCBACHO-SECBINFHSA-N 0 3 215.272 0.837 20 0 BCADHN Cc1n[nH]cc1CN[C@H](CO)CCF ZINC000652017314 410982088 /nfs/dbraw/zinc/98/20/88/410982088.db2.gz SRKMAAYJSOPPDB-VIFPVBQESA-N 0 3 201.245 0.528 20 0 BCADHN OC[C@H](CCF)NCc1cnc2cnccn12 ZINC000652018230 410988223 /nfs/dbraw/zinc/98/82/23/410988223.db2.gz NVYGQTIJYGAHSS-VIFPVBQESA-N 0 3 238.266 0.539 20 0 BCADHN CCn1nnc(C)c1CN[C@@H](CO)CCF ZINC000652018131 410990188 /nfs/dbraw/zinc/99/01/88/410990188.db2.gz LWURBBPDTBKDOC-SECBINFHSA-N 0 3 230.287 0.417 20 0 BCADHN CCn1ccc(CC(=O)N(C)CCN(C)C)n1 ZINC000651428811 411017341 /nfs/dbraw/zinc/01/73/41/411017341.db2.gz NRYADNJHONJRDK-UHFFFAOYSA-N 0 3 238.335 0.466 20 0 BCADHN O=C1CC[C@H]2CN(Cc3cn[nH]c3)CC[C@@H]2N1 ZINC000661603384 411018980 /nfs/dbraw/zinc/01/89/80/411018980.db2.gz VOXRHWQMOAOGBE-QWRGUYRKSA-N 0 3 234.303 0.510 20 0 BCADHN O=C1CC[C@@H]2CN(Cc3cn[nH]c3)CC[C@@H]2N1 ZINC000661603381 411019489 /nfs/dbraw/zinc/01/94/89/411019489.db2.gz VOXRHWQMOAOGBE-MNOVXSKESA-N 0 3 234.303 0.510 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)[C@H](N)C1CCC1 ZINC000399225624 411026675 /nfs/dbraw/zinc/02/66/75/411026675.db2.gz MSGZYRBGORVUBL-ATZCPNFKSA-N 0 3 228.336 0.637 20 0 BCADHN CO[C@H](C)CNC(=O)[C@H](N)C1CCC1 ZINC000399236757 411027447 /nfs/dbraw/zinc/02/74/47/411027447.db2.gz RNNSBSHGUOWPAC-VXNVDRBHSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@@H](Cc1ccccn1)NC(=O)C1(N)CC1 ZINC000655499588 411032286 /nfs/dbraw/zinc/03/22/86/411032286.db2.gz NHCYRGKIINQYHE-VIFPVBQESA-N 0 3 219.288 0.620 20 0 BCADHN COC(=O)C1(CNCc2ccc(N)nc2)CC1 ZINC000592438925 411133234 /nfs/dbraw/zinc/13/32/34/411133234.db2.gz VJNVAHXETBHCDO-UHFFFAOYSA-N 0 3 235.287 0.707 20 0 BCADHN CC1(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)CC1 ZINC000647706979 411140122 /nfs/dbraw/zinc/14/01/22/411140122.db2.gz UMPJSDVSQOEQDH-QWRGUYRKSA-N 0 3 238.331 0.454 20 0 BCADHN OCCNCc1cnnn1-c1ccccc1 ZINC000651749841 411140939 /nfs/dbraw/zinc/14/09/39/411140939.db2.gz LFIGXFFNRZQEFR-UHFFFAOYSA-N 0 3 218.260 0.349 20 0 BCADHN C[C@H]1C[C@H]1CN1CCN(CCN(C)C)C(=O)C1 ZINC000651891117 411149148 /nfs/dbraw/zinc/14/91/48/411149148.db2.gz IDBISTPIVBFLIZ-RYUDHWBXSA-N 0 3 239.363 0.348 20 0 BCADHN CN(C)CCN1CCN(CC2(F)CC2)CC1=O ZINC000651890982 411149150 /nfs/dbraw/zinc/14/91/50/411149150.db2.gz BLUMQUQJAVEELH-UHFFFAOYSA-N 0 3 243.326 0.194 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1Cc1cccc(O)c1 ZINC000651936902 411151079 /nfs/dbraw/zinc/15/10/79/411151079.db2.gz MKFZRHMZOKRNPN-WCQYABFASA-N 0 3 237.299 0.974 20 0 BCADHN C[C@@H](Cn1cncn1)N[C@@H](CO)c1ccccc1 ZINC000657883384 411152322 /nfs/dbraw/zinc/15/23/22/411152322.db2.gz CMUHLMHFRWWWFZ-AAEUAGOBSA-N 0 3 246.314 0.990 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1Cc1cccn1C ZINC000651937686 411152248 /nfs/dbraw/zinc/15/22/48/411152248.db2.gz TZTZHLDGABTQRW-NWDGAFQWSA-N 0 3 224.304 0.607 20 0 BCADHN Cc1n[nH]c(C)c1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651940171 411153109 /nfs/dbraw/zinc/15/31/09/411153109.db2.gz BFARKCZMBHUHKH-DTORHVGOSA-N 0 3 222.292 0.380 20 0 BCADHN CN1C[C@H](N[C@@H]2CCCn3nccc32)CCC1=O ZINC000657888217 411153728 /nfs/dbraw/zinc/15/37/28/411153728.db2.gz FUKFLUJTPFNSMY-GHMZBOCLSA-N 0 3 248.330 0.928 20 0 BCADHN Cc1noc(C)c1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651941135 411154116 /nfs/dbraw/zinc/15/41/16/411154116.db2.gz MQOSTCLYUHQPOX-DTORHVGOSA-N 0 3 223.276 0.645 20 0 BCADHN COC[C@@H](CCO)N[C@@H]1COC2(CCC2)C1 ZINC000657889028 411154651 /nfs/dbraw/zinc/15/46/51/411154651.db2.gz PFURBLHVDFINKV-MNOVXSKESA-N 0 3 229.320 0.685 20 0 BCADHN O[C@@]1(CCNCC2(F)CC2)CCOC1 ZINC000651945275 411156465 /nfs/dbraw/zinc/15/64/65/411156465.db2.gz VTVWKMXDECZCDR-JTQLQIEISA-N 0 3 203.257 0.620 20 0 BCADHN CN(CC1CC1)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655910746 411156617 /nfs/dbraw/zinc/15/66/17/411156617.db2.gz BKZBRTXNJJFPPF-ZETCQYMHSA-N 0 3 239.241 0.927 20 0 BCADHN O[C@]1(CCNCC2(F)CC2)CCOC1 ZINC000651945276 411157643 /nfs/dbraw/zinc/15/76/43/411157643.db2.gz VTVWKMXDECZCDR-SNVBAGLBSA-N 0 3 203.257 0.620 20 0 BCADHN C[C@H](N)C(=O)N1CC(C)(C)OCC1(C)C ZINC000309513884 411157819 /nfs/dbraw/zinc/15/78/19/411157819.db2.gz YBGWJOKTNNITOQ-QMMMGPOBSA-N 0 3 214.309 0.750 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1Cc1ccncc1C ZINC000651950023 411158339 /nfs/dbraw/zinc/15/83/39/411158339.db2.gz AKIWULSXHSTBKT-CHWSQXEVSA-N 0 3 236.315 0.972 20 0 BCADHN C[C@H](NC(=O)N[C@@H](CN)C(F)(F)F)C1CC1 ZINC000655926988 411159152 /nfs/dbraw/zinc/15/91/52/411159152.db2.gz MDBWCZUEASQWAS-FSPLSTOPSA-N 0 3 239.241 0.974 20 0 BCADHN NC[C@H](NC(=O)N[C@H]1CC12CC2)C(F)(F)F ZINC000655931183 411159402 /nfs/dbraw/zinc/15/94/02/411159402.db2.gz HFWYRBPSXFMLSP-WDSKDSINSA-N 0 3 237.225 0.728 20 0 BCADHN NC[C@@H](NC(=O)N1CC[C@H](F)C1)C(F)(F)F ZINC000655926427 411159467 /nfs/dbraw/zinc/15/94/67/411159467.db2.gz JRMBRLFGCMIREB-NTSWFWBYSA-N 0 3 243.204 0.629 20 0 BCADHN C[C@H](F)CCNC(=O)N[C@H](CN)C(F)(F)F ZINC000655925439 411159675 /nfs/dbraw/zinc/15/96/75/411159675.db2.gz BCQQSCAPAAUXPI-NTSWFWBYSA-N 0 3 245.220 0.923 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)N[C@H](CN)C(F)(F)F ZINC000655930066 411159889 /nfs/dbraw/zinc/15/98/89/411159889.db2.gz ZAMIQFGSCOKTPF-FSDSQADBSA-N 0 3 239.241 0.974 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1Cc1cccn1C ZINC000651950844 411160872 /nfs/dbraw/zinc/16/08/72/411160872.db2.gz TZTZHLDGABTQRW-VXGBXAGGSA-N 0 3 224.304 0.607 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cnc2cccnn21 ZINC000652166244 411164784 /nfs/dbraw/zinc/16/47/84/411164784.db2.gz MMLHKQQRPLEUQI-VIFPVBQESA-N 0 3 247.302 0.409 20 0 BCADHN O[C@]1(CN[C@H]2CCCn3nccc32)CCOC1 ZINC000657928817 411169825 /nfs/dbraw/zinc/16/98/25/411169825.db2.gz GPRXUDBNJINWPD-JQWIXIFHSA-N 0 3 237.303 0.459 20 0 BCADHN C[C@@H](CN[C@H]1COC2(CCC2)C1)S(C)(=O)=O ZINC000657931985 411171268 /nfs/dbraw/zinc/17/12/68/411171268.db2.gz UVMYBSKTXQYLND-VHSXEESVSA-N 0 3 247.360 0.721 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C[C@H]1CNC(=O)C1 ZINC000660009745 411172707 /nfs/dbraw/zinc/17/27/07/411172707.db2.gz ZXQSVXFSLIMEET-KXUCPTDWSA-N 0 3 212.293 0.232 20 0 BCADHN COC[C@H](O)CCN[C@H]1CCCn2nccc21 ZINC000657936761 411173228 /nfs/dbraw/zinc/17/32/28/411173228.db2.gz RDUIUFWSEZBJPT-MNOVXSKESA-N 0 3 239.319 0.705 20 0 BCADHN CC(C)(CN[C@@H]1CCCn2nccc21)C(N)=O ZINC000657939357 411174673 /nfs/dbraw/zinc/17/46/73/411174673.db2.gz UABCDOKGBCYQJV-SECBINFHSA-N 0 3 236.319 0.819 20 0 BCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCNCC1 ZINC000652229229 411174756 /nfs/dbraw/zinc/17/47/56/411174756.db2.gz HIBQHKSZJDNMIN-MXWKQRLJSA-N 0 3 239.319 0.311 20 0 BCADHN CCN(CCO)CCO[C@H]1CC1(F)F ZINC000659879159 411176547 /nfs/dbraw/zinc/17/65/47/411176547.db2.gz RKXGKUILLRAVPX-QMMMGPOBSA-N 0 3 209.236 0.725 20 0 BCADHN CO[C@@H](CN(CCO)CCO)C1CCCC1 ZINC000659879875 411177694 /nfs/dbraw/zinc/17/76/94/411177694.db2.gz YTLJEPKZWWVBLB-LBPRGKRZSA-N 0 3 231.336 0.478 20 0 BCADHN Cc1cncc(CN2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000653685597 411177718 /nfs/dbraw/zinc/17/77/18/411177718.db2.gz WVPZVNYDXUVPPQ-STQMWFEESA-N 0 3 235.331 0.497 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@@H]2COC[C@]2(C)C1 ZINC000661697418 411183885 /nfs/dbraw/zinc/18/38/85/411183885.db2.gz COMHPDBQVBDUTG-LOWVWBTDSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H](N[C@@H]1CCCN2CCCC[C@H]12)C(N)=O ZINC000656129918 411184168 /nfs/dbraw/zinc/18/41/68/411184168.db2.gz OWICPDAMZHLWGN-HBNTYKKESA-N 0 3 225.336 0.467 20 0 BCADHN O=C1NCC[C@@H]1N[C@H]1CCCN2CCCC[C@H]12 ZINC000656130308 411184383 /nfs/dbraw/zinc/18/43/83/411184383.db2.gz SQIOVGAUDFRGPJ-SDDRHHMPSA-N 0 3 237.347 0.481 20 0 BCADHN COc1c(C)cccc1CNCCC(N)=O ZINC000656154594 411188358 /nfs/dbraw/zinc/18/83/58/411188358.db2.gz YAJZPZWSMHRGNS-UHFFFAOYSA-N 0 3 222.288 0.969 20 0 BCADHN C[C@@H](CN[C@@H]1CCCS(=O)(=O)C1)C[C@H](C)O ZINC000336781482 411189885 /nfs/dbraw/zinc/18/98/85/411189885.db2.gz UVYWUYRAQHNXGP-OUAUKWLOSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@@H](CNC(=O)NC1CC=CC1)N(C)C ZINC000652447600 411244243 /nfs/dbraw/zinc/24/42/43/411244243.db2.gz SRVTXAHLGSWYLZ-VIFPVBQESA-N 0 3 211.309 0.954 20 0 BCADHN CCN1CCN(C[C@H](COC)OC)C[C@@H]1C ZINC000660126147 411244484 /nfs/dbraw/zinc/24/44/84/411244484.db2.gz OKGMHWNMJRCVDT-NWDGAFQWSA-N 0 3 230.352 0.674 20 0 BCADHN CC[C@@H](COC)NC(=O)[C@@H]1NCC1(C)C ZINC000310033009 411194363 /nfs/dbraw/zinc/19/43/63/411194363.db2.gz RSNRVQZMWKPFHE-IUCAKERBSA-N 0 3 214.309 0.526 20 0 BCADHN COCC[C@@H](CO)N[C@@H]1CCCn2nccc21 ZINC000658002575 411194829 /nfs/dbraw/zinc/19/48/29/411194829.db2.gz WBSBFUAZMGPVFM-WDEREUQCSA-N 0 3 239.319 0.705 20 0 BCADHN C[C@@H](N[C@H]1COC2(CCC2)C1)C(=O)NCCF ZINC000658004296 411194994 /nfs/dbraw/zinc/19/49/94/411194994.db2.gz XQBVOLPMIYHQTQ-NXEZZACHSA-N 0 3 244.310 0.762 20 0 BCADHN Cn1cncc1CN1C[C@H]2COC[C@]2(C)C1 ZINC000661701057 411196634 /nfs/dbraw/zinc/19/66/34/411196634.db2.gz FTRMKNBATNFMTR-JQWIXIFHSA-N 0 3 221.304 0.888 20 0 BCADHN CCN1OC[C@H](N2C[C@H]3COC[C@]3(C)C2)C1=O ZINC000661700861 411197172 /nfs/dbraw/zinc/19/71/72/411197172.db2.gz HWMRXEKPZKNMJP-NHCYSSNCSA-N 0 3 240.303 0.117 20 0 BCADHN C1CC2(C1)C[C@@H](NC1COCCOC1)CO2 ZINC000658021612 411199940 /nfs/dbraw/zinc/19/99/40/411199940.db2.gz UDPVWMRZWCWHJT-SNVBAGLBSA-N 0 3 227.304 0.703 20 0 BCADHN CC[C@@]1(NC(=O)NC[C@H](C)N(C)C)CCOC1 ZINC000656196985 411202263 /nfs/dbraw/zinc/20/22/63/411202263.db2.gz STVNXNAODAMALI-CMPLNLGQSA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@H](NCC(N)=O)[C@H]1CCCCO1 ZINC000653880781 411207277 /nfs/dbraw/zinc/20/72/77/411207277.db2.gz RGGMVZNZHKTYAZ-DTWKUNHWSA-N 0 3 200.282 0.409 20 0 BCADHN CC(C)NC(=O)[C@@H](C)N[C@@H](C)Cn1cncn1 ZINC000658037661 411213591 /nfs/dbraw/zinc/21/35/91/411213591.db2.gz YJWDAWXNZRPIDK-VHSXEESVSA-N 0 3 239.323 0.169 20 0 BCADHN CC[C@H](NC(=O)C1(N)CC1)[C@@H]1CCCCO1 ZINC000656231265 411215065 /nfs/dbraw/zinc/21/50/65/411215065.db2.gz DOMQLUBOQXXRQQ-UWVGGRQHSA-N 0 3 226.320 0.942 20 0 BCADHN CO[C@](C)(CO)CN[C@H]1CCCn2nccc21 ZINC000658048679 411218613 /nfs/dbraw/zinc/21/86/13/411218613.db2.gz WTXCIHHYIQQSJT-JQWIXIFHSA-N 0 3 239.319 0.705 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2CCNC2=O)CN1C1CC1 ZINC000658055685 411222943 /nfs/dbraw/zinc/22/29/43/411222943.db2.gz UCHFLIPXLXIMIM-YWVKMMECSA-N 0 3 223.320 0.090 20 0 BCADHN CCn1cc([C@H](C)NC[C@](C)(CO)OC)cn1 ZINC000655784380 411223246 /nfs/dbraw/zinc/22/32/46/411223246.db2.gz BSXXDYQCCZHGNM-CMPLNLGQSA-N 0 3 241.335 0.951 20 0 BCADHN Cn1nnc2c1CC[C@@H](NC1CSC1)C2 ZINC000656273924 411223699 /nfs/dbraw/zinc/22/36/99/411223699.db2.gz SXYYMVSGNLPEGP-SSDOTTSWSA-N 0 3 224.333 0.377 20 0 BCADHN CCNC(=O)CN[C@@H]1CC[C@H](C)SC1 ZINC000655682213 411224445 /nfs/dbraw/zinc/22/44/45/411224445.db2.gz BOKULKPSXNKUTQ-DTWKUNHWSA-N 0 3 216.350 0.996 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)Cc1cn[nH]c1 ZINC000069763474 411224458 /nfs/dbraw/zinc/22/44/58/411224458.db2.gz ZVALFGREYIBFTH-WPRPVWTQSA-N 0 3 224.308 0.742 20 0 BCADHN CN(Cc1cn[nH]c1)C(=O)[C@@H]1CCCCN1 ZINC000069763633 411224492 /nfs/dbraw/zinc/22/44/92/411224492.db2.gz AZCBGVJWJABCDG-JTQLQIEISA-N 0 3 222.292 0.510 20 0 BCADHN CN[C@@H](C)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000054076715 411224571 /nfs/dbraw/zinc/22/45/71/411224571.db2.gz ZLSZHQDIZYMKNU-LPEHRKFASA-N 0 3 212.293 0.374 20 0 BCADHN Nc1ccc(C(=O)N2CCCNCC2)nc1 ZINC000128825822 411227203 /nfs/dbraw/zinc/22/72/03/411227203.db2.gz YMQROKSZGFOTII-UHFFFAOYSA-N 0 3 220.276 0.099 20 0 BCADHN CNC(=O)N1CCN(CC2CC=CC2)CC1 ZINC000660091700 411228285 /nfs/dbraw/zinc/22/82/85/411228285.db2.gz LSPSWACZDNXWIM-UHFFFAOYSA-N 0 3 223.320 0.910 20 0 BCADHN CCc1cc(NC(=O)[C@@H](N)C(C)C)n[nH]1 ZINC000129129605 411231753 /nfs/dbraw/zinc/23/17/53/411231753.db2.gz QUKOSOGXCZWFLM-VIFPVBQESA-N 0 3 210.281 0.894 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H](CO)C1CCC1 ZINC000658088804 411239471 /nfs/dbraw/zinc/23/94/71/411239471.db2.gz VPGKXPLNULUODX-WPRPVWTQSA-N 0 3 235.349 0.170 20 0 BCADHN C[C@H](Cn1cncn1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000657922088 411167017 /nfs/dbraw/zinc/16/70/17/411167017.db2.gz FWDLPGOLNURBMV-NXEZZACHSA-N 0 3 249.318 0.020 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cccc(C(=O)NC)c1 ZINC000129298426 411242243 /nfs/dbraw/zinc/24/22/43/411242243.db2.gz YYPGVUSXUYRZBC-LLVKDONJSA-N 0 3 249.314 0.400 20 0 BCADHN C[C@@H]1CC[C@H](NCC(=O)N(C)C)CS1 ZINC000655710897 411263641 /nfs/dbraw/zinc/26/36/41/411263641.db2.gz GVXUQRCMIKLVQY-BDAKNGLRSA-N 0 3 216.350 0.948 20 0 BCADHN Nc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cn1 ZINC000050708662 411263963 /nfs/dbraw/zinc/26/39/63/411263963.db2.gz NJHKZXXTVKONPD-SNVBAGLBSA-N 0 3 246.314 0.630 20 0 BCADHN CC[C@]1(C)COCCN1C[C@H]1CNC(=O)C1 ZINC000660148676 411263991 /nfs/dbraw/zinc/26/39/91/411263991.db2.gz MJAAOGLVVHRRCQ-ZYHUDNBSSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H]1C[C@H](O)CN1CCO[C@@H]1CC1(F)F ZINC000660148378 411264010 /nfs/dbraw/zinc/26/40/10/411264010.db2.gz KXSYNNOUQXZGQG-HRDYMLBCSA-N 0 3 221.247 0.866 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)C1(CO)CC1 ZINC000658151864 411266967 /nfs/dbraw/zinc/26/69/67/411266967.db2.gz BNRFXTBCNNBGCG-ZJUUUORDSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@@H]1SCC[C@@H]1NC(=O)C[C@H]1CNCCO1 ZINC000309838968 411268103 /nfs/dbraw/zinc/26/81/03/411268103.db2.gz NLYISGFSYQVBJX-GUBZILKMSA-N 0 3 244.360 0.375 20 0 BCADHN COCc1n[nH]c(CN[C@H](C)C(C)(C)OC)n1 ZINC000658155510 411269098 /nfs/dbraw/zinc/26/90/98/411269098.db2.gz AOQMOVODXUXOMJ-MRVPVSSYSA-N 0 3 242.323 0.854 20 0 BCADHN COCc1n[nH]c(CN[C@@H](C)C(C)(C)OC)n1 ZINC000658155511 411269262 /nfs/dbraw/zinc/26/92/62/411269262.db2.gz AOQMOVODXUXOMJ-QMMMGPOBSA-N 0 3 242.323 0.854 20 0 BCADHN Cc1ccc(CN[C@@H]2COC[C@@H]2O)cc1F ZINC000134217464 411269910 /nfs/dbraw/zinc/26/99/10/411269910.db2.gz UBIWPKQEUGJYSJ-NEPJUHHUSA-N 0 3 225.263 0.983 20 0 BCADHN CN(C)CCc1cn(CCn2cccn2)nn1 ZINC000656450416 411272632 /nfs/dbraw/zinc/27/26/32/411272632.db2.gz UCZSCBWCHIYFQQ-UHFFFAOYSA-N 0 3 234.307 0.279 20 0 BCADHN NCc1cn(CCCN2CCSCC2)nn1 ZINC000656450632 411272653 /nfs/dbraw/zinc/27/26/53/411272653.db2.gz YAOBNUXHOJOHQM-UHFFFAOYSA-N 0 3 241.364 0.176 20 0 BCADHN O=C1NCC[C@@H]1CCN1CC[C@H](F)C1 ZINC000653731698 411272930 /nfs/dbraw/zinc/27/29/30/411272930.db2.gz HYCAZBZSPXPQRA-BDAKNGLRSA-N 0 3 200.257 0.556 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1CCc1cn[nH]n1 ZINC000660163906 411273291 /nfs/dbraw/zinc/27/32/91/411273291.db2.gz BLYAIMLMKLLSCU-VHSXEESVSA-N 0 3 223.324 0.372 20 0 BCADHN NS(=O)(=O)[C@H]1CCCN(CCC2CCC2)C1 ZINC000660169520 411277742 /nfs/dbraw/zinc/27/77/42/411277742.db2.gz KBQAVBWYBMXLFW-NSHDSACASA-N 0 3 246.376 0.930 20 0 BCADHN CC[C@@](C)(N)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000656466504 411278255 /nfs/dbraw/zinc/27/82/55/411278255.db2.gz FBPGGHXXPKEDFW-FXPVBKGRSA-N 0 3 240.307 0.448 20 0 BCADHN CN(C)C1(CN=c2nc[nH]n2C)CCCCC1 ZINC000653461597 411278668 /nfs/dbraw/zinc/27/86/68/411278668.db2.gz CNEAVJPLWKZLKR-UHFFFAOYSA-N 0 3 237.351 0.913 20 0 BCADHN CCN1CCC[C@@H]1CN=c1nc[nH]n1C ZINC000653461929 411279036 /nfs/dbraw/zinc/27/90/36/411279036.db2.gz MHXPRJDFBTWSNQ-SECBINFHSA-N 0 3 209.297 0.133 20 0 BCADHN CC(C)n1ncnc1CN[C@@H](C)CN(C)C ZINC000130414021 411281890 /nfs/dbraw/zinc/28/18/90/411281890.db2.gz XXTPWFSTIIEFLB-JTQLQIEISA-N 0 3 225.340 0.899 20 0 BCADHN CCCc1nccn1C[C@H]1CNCCO1 ZINC000070649676 411283184 /nfs/dbraw/zinc/28/31/84/411283184.db2.gz WDYIFFHHXLAKTD-SNVBAGLBSA-N 0 3 209.293 0.824 20 0 BCADHN CCN1CC[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000665669672 411289198 /nfs/dbraw/zinc/28/91/98/411289198.db2.gz PGRHCMXLNJYHPH-VIFPVBQESA-N 0 3 222.292 0.542 20 0 BCADHN OC[C@@H](CN1CCCCC1)Nc1cccnn1 ZINC000556213977 411292141 /nfs/dbraw/zinc/29/21/41/411292141.db2.gz CKJXMPVQTUCSHT-LLVKDONJSA-N 0 3 236.319 0.735 20 0 BCADHN Cc1ncncc1[C@H](C)NCCc1nnnn1C ZINC000655723376 411296294 /nfs/dbraw/zinc/29/62/94/411296294.db2.gz KFCSZXKVCWFXAW-QMMMGPOBSA-N 0 3 247.306 0.202 20 0 BCADHN C[C@@H](CNCc1ncnn1C)N(C)C1CC1 ZINC000218581216 411329937 /nfs/dbraw/zinc/32/99/37/411329937.db2.gz OOSGJEWEUSNZHE-VIFPVBQESA-N 0 3 223.324 0.387 20 0 BCADHN C[C@H]1CC[C@H](CN2CCC(CO)(CO)C2)O1 ZINC000661950708 411329980 /nfs/dbraw/zinc/32/99/80/411329980.db2.gz MWPLFWRXNUTKAO-WDEREUQCSA-N 0 3 229.320 0.231 20 0 BCADHN COC[C@H](CN1CCN(CC(C)C)CC1)OC ZINC000659811777 411298878 /nfs/dbraw/zinc/29/88/78/411298878.db2.gz UXKBUJLNFDDNAB-ZDUSSCGKSA-N 0 3 244.379 0.921 20 0 BCADHN C[C@@H]1CN(C[C@H]2CNC(=O)C2)C[C@H](C)O1 ZINC000659814803 411301565 /nfs/dbraw/zinc/30/15/65/411301565.db2.gz VVJCXNLWALDTQZ-KXUCPTDWSA-N 0 3 212.293 0.232 20 0 BCADHN CC[C@@H]1CO[C@@H](C)CN1C[C@@H]1CNC(=O)C1 ZINC000659841806 411330595 /nfs/dbraw/zinc/33/05/95/411330595.db2.gz UYOUVAPZYRJNOH-GARJFASQSA-N 0 3 226.320 0.622 20 0 BCADHN COCCNCC(=O)N[C@@H](C)CSC ZINC000158442721 411304500 /nfs/dbraw/zinc/30/45/00/411304500.db2.gz QQLCADGWBHUAGU-QMMMGPOBSA-N 0 3 220.338 0.090 20 0 BCADHN COCCNCCNC(=O)C[C@H]1C=CCC1 ZINC000216406478 411305397 /nfs/dbraw/zinc/30/53/97/411305397.db2.gz RLEUKHKVHLKLKC-NSHDSACASA-N 0 3 226.320 0.695 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1nc(C)no1 ZINC000655527364 411306945 /nfs/dbraw/zinc/30/69/45/411306945.db2.gz PHWLKKVARYAGRA-XCBNKYQSSA-N 0 3 240.307 0.710 20 0 BCADHN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1ccccn1 ZINC000309412969 411307117 /nfs/dbraw/zinc/30/71/17/411307117.db2.gz IUKVDRCDFXFWNA-QMMMGPOBSA-N 0 3 229.305 0.097 20 0 BCADHN Cc1noc(CN(C)C(=O)C2(N)CCCC2)n1 ZINC000655527060 411307359 /nfs/dbraw/zinc/30/73/59/411307359.db2.gz ILKYSCKUDCFGRQ-UHFFFAOYSA-N 0 3 238.291 0.608 20 0 BCADHN O=c1cc(C2CCC2)ncn1C[C@H]1CNCCO1 ZINC000656611203 411309989 /nfs/dbraw/zinc/30/99/89/411309989.db2.gz AXWADMIISRXEFY-LLVKDONJSA-N 0 3 249.314 0.499 20 0 BCADHN CC(C)(C)c1noc(OC[C@@H]2CNCCO2)n1 ZINC000656612443 411310078 /nfs/dbraw/zinc/31/00/78/411310078.db2.gz YZBBGYHQWZNUPG-QMMMGPOBSA-N 0 3 241.291 0.734 20 0 BCADHN c1nc(-c2ccccc2)nn1C[C@H]1CNCCO1 ZINC000656612198 411310127 /nfs/dbraw/zinc/31/01/27/411310127.db2.gz RTPQJOAGCBRLCS-GFCCVEGCSA-N 0 3 244.298 0.934 20 0 BCADHN CN(C)CC(C)(C)NCC(=O)Nc1ccon1 ZINC000656611318 411310386 /nfs/dbraw/zinc/31/03/86/411310386.db2.gz PQCJZBCJTNFKIF-UHFFFAOYSA-N 0 3 240.307 0.543 20 0 BCADHN CCOC[C@H](O)CN1CC(CCOC)C1 ZINC000656702356 411331430 /nfs/dbraw/zinc/33/14/30/411331430.db2.gz BLSKWTFNBHLBEQ-LLVKDONJSA-N 0 3 217.309 0.352 20 0 BCADHN CC[C@H]1CN(CC)CCN1C(=O)[C@H](C)N(C)C ZINC000654007606 411311474 /nfs/dbraw/zinc/31/14/74/411311474.db2.gz BKQCLFHNDOAUKW-RYUDHWBXSA-N 0 3 241.379 0.879 20 0 BCADHN Cc1nc(CCN(C)[C@@H]2CCC[C@H]2O)no1 ZINC000656696979 411333386 /nfs/dbraw/zinc/33/33/86/411333386.db2.gz MBLDJWWLMNXJSF-NXEZZACHSA-N 0 3 225.292 0.766 20 0 BCADHN CN(CCNC(=O)[C@@H]1C[C@@H]1c1nnc[nH]1)C1CC1 ZINC000371575427 411331760 /nfs/dbraw/zinc/33/17/60/411331760.db2.gz PCMDRXFKBUBQOF-VHSXEESVSA-N 0 3 249.318 0.119 20 0 BCADHN CN(C(=O)CN1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000661966734 411332339 /nfs/dbraw/zinc/33/23/39/411332339.db2.gz AAYIHQIDQAMPCY-UWVGGRQHSA-N 0 3 208.305 0.949 20 0 BCADHN Cc1cncc(CCN2CCC[C@@H]2CO)n1 ZINC000402900027 411320929 /nfs/dbraw/zinc/32/09/29/411320929.db2.gz GTIINMKGMDTKBI-GFCCVEGCSA-N 0 3 221.304 0.784 20 0 BCADHN Cc1cncc(CCN(C)CCCO)n1 ZINC000402918591 411320954 /nfs/dbraw/zinc/32/09/54/411320954.db2.gz PWLVMLBDSKKYKR-UHFFFAOYSA-N 0 3 209.293 0.642 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCN2CCC1CC2 ZINC000335053886 411321932 /nfs/dbraw/zinc/32/19/32/411321932.db2.gz STRFJECBHSJFTQ-JTQLQIEISA-N 0 3 237.347 0.434 20 0 BCADHN CCN1CC[C@@H](NCCn2cccn2)C1=O ZINC000656675175 411321887 /nfs/dbraw/zinc/32/18/87/411321887.db2.gz AGEJGQWGVFKJHQ-SNVBAGLBSA-N 0 3 222.292 0.094 20 0 BCADHN CCNC(=O)CN1CCCCC[C@@H]1CO ZINC000124851566 411325819 /nfs/dbraw/zinc/32/58/19/411325819.db2.gz XZQYLRSAYBYUDL-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN C[C@@]12COC[C@@H]1CN(CCn1ccccc1=O)C2 ZINC000661707205 411250523 /nfs/dbraw/zinc/25/05/23/411250523.db2.gz RASHUMGUQIAPFA-GXTWGEPZSA-N 0 3 248.326 0.817 20 0 BCADHN CCNC(=O)Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000656443986 411252040 /nfs/dbraw/zinc/25/20/40/411252040.db2.gz IGIBTRDQNWVTQI-JTQLQIEISA-N 0 3 239.323 0.460 20 0 BCADHN CCS(=O)(=O)C1(CN[C@@H](C)[C@@H](C)OC)CC1 ZINC000658298377 411326575 /nfs/dbraw/zinc/32/65/75/411326575.db2.gz FQWWEZWZWKVUFR-VHSXEESVSA-N 0 3 249.376 0.967 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NC/C=C\CO ZINC000658132834 411255944 /nfs/dbraw/zinc/25/59/44/411255944.db2.gz IZMAFPIDZBGBMH-WBSSQXGSSA-N 0 3 209.293 0.928 20 0 BCADHN CN(C)CCc1cn(-c2ccncc2)nn1 ZINC000656440148 411257124 /nfs/dbraw/zinc/25/71/24/411257124.db2.gz ASSGZLCVQCGRBO-UHFFFAOYSA-N 0 3 217.276 0.766 20 0 BCADHN NC(=O)[C@@H]1CC[C@H](N[C@H]2CCCn3ccnc32)C1 ZINC000655774693 411257966 /nfs/dbraw/zinc/25/79/66/411257966.db2.gz DVTYBVQBVWHICL-VWYCJHECSA-N 0 3 248.330 0.962 20 0 BCADHN C[C@@H]1CN(Cc2ccnc(N)c2)C[C@@H]1O ZINC000336697879 411258999 /nfs/dbraw/zinc/25/89/99/411258999.db2.gz OLEFPPQLJWFEPP-SCZZXKLOSA-N 0 3 207.277 0.476 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000050457693 411260168 /nfs/dbraw/zinc/26/01/68/411260168.db2.gz SMCRYPSSAIQBOR-DTWKUNHWSA-N 0 3 234.255 0.744 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H](O)[C@H]1C ZINC000654177574 411349402 /nfs/dbraw/zinc/34/94/02/411349402.db2.gz ZKKAZZIROILTQF-WRWGMCAJSA-N 0 3 240.347 0.841 20 0 BCADHN O=C(NC[C@H]1CNCCO1)C1CC2(CC2)C1 ZINC000659322317 411349628 /nfs/dbraw/zinc/34/96/28/411349628.db2.gz ISZUFOGRSZCFOK-SNVBAGLBSA-N 0 3 224.304 0.281 20 0 BCADHN CC1(C)COCCN1C[C@@H]1CNC(=O)C1 ZINC000659858448 411349646 /nfs/dbraw/zinc/34/96/46/411349646.db2.gz SWSGYPOALMCDHH-VIFPVBQESA-N 0 3 212.293 0.233 20 0 BCADHN CC[C@H](N[C@H]1C[C@H](O)C1)c1cnn(C)c1 ZINC000658348884 411350063 /nfs/dbraw/zinc/35/00/63/411350063.db2.gz CRMUVYIHLBEBMV-DCAQKATOSA-N 0 3 209.293 0.984 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@@H]2COC[C@@H]2C1 ZINC000662038237 411352740 /nfs/dbraw/zinc/35/27/40/411352740.db2.gz BMQFBEQSCHZMNF-TUAOUCFPSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662040262 411353169 /nfs/dbraw/zinc/35/31/69/411353169.db2.gz WHJPGVOUVOZTGX-LPEHRKFASA-N 0 3 212.293 0.219 20 0 BCADHN C[C@@H]1CCN(C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000658408228 411353693 /nfs/dbraw/zinc/35/36/93/411353693.db2.gz ODKZKEKDNQPBLE-OPRDCNLKSA-N 0 3 229.299 0.819 20 0 BCADHN CC[C@@H]1CN(C(=O)CNC)[C@@H](C)CO1 ZINC000403726827 411356162 /nfs/dbraw/zinc/35/61/62/411356162.db2.gz GKTVTKPZBZNOSG-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000653481391 411357403 /nfs/dbraw/zinc/35/74/03/411357403.db2.gz HCCRJKMFJMZIKW-NXEZZACHSA-N 0 3 211.309 0.932 20 0 BCADHN COC1CC(CCNC(=O)[C@@H]2NCC2(C)C)C1 ZINC000659328676 411357726 /nfs/dbraw/zinc/35/77/26/411357726.db2.gz IQLVPMYCNUHYDM-ILDUYXDCSA-N 0 3 240.347 0.916 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](C)N)[C@H](C)CO1 ZINC000403742963 411358340 /nfs/dbraw/zinc/35/83/40/411358340.db2.gz KCHNQUGPBCOFEO-IWSPIJDZSA-N 0 3 200.282 0.360 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](C)N)[C@H](C)CO1 ZINC000403742965 411358439 /nfs/dbraw/zinc/35/84/39/411358439.db2.gz KCHNQUGPBCOFEO-VGMNWLOBSA-N 0 3 200.282 0.360 20 0 BCADHN C[C@H](O)CN1CCN([C@@H]2CCO[C@H](C)C2)CC1 ZINC000659876035 411359538 /nfs/dbraw/zinc/35/95/38/411359538.db2.gz VUGPYGHYIFSMOK-YNEHKIRRSA-N 0 3 242.363 0.552 20 0 BCADHN CN(C)CCNc1cc(C2CC2)ncn1 ZINC000641251652 411361653 /nfs/dbraw/zinc/36/16/53/411361653.db2.gz BVYGDYPVYPUYLD-UHFFFAOYSA-N 0 3 206.293 1.328 20 0 BCADHN COC1CC(CCNC(=O)[C@@H](N)C(C)C)C1 ZINC000658929955 411362218 /nfs/dbraw/zinc/36/22/18/411362218.db2.gz IFPRXRSHTYIBGU-ILDUYXDCSA-N 0 3 228.336 0.901 20 0 BCADHN COC[C@@H](CCNC(=O)[C@@H](N)C(C)C)OC ZINC000658930921 411362344 /nfs/dbraw/zinc/36/23/44/411362344.db2.gz MJOXYQOLLGZFDI-ZJUUUORDSA-N 0 3 232.324 0.137 20 0 BCADHN C[C@H](CCO)N(C)C(=O)CC1CCN(C)CC1 ZINC000652958573 411362606 /nfs/dbraw/zinc/36/26/06/411362606.db2.gz MTPRFUTZOCPCJX-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H]1CN(C(=O)CNC)[C@@H](CC)CO1 ZINC000403865337 411363341 /nfs/dbraw/zinc/36/33/41/411363341.db2.gz QSKWUWPLHOIREV-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000658964346 411363679 /nfs/dbraw/zinc/36/36/79/411363679.db2.gz XWIZDOOPTGKFRK-AXFHLTTASA-N 0 3 226.320 0.465 20 0 BCADHN CC[C@@H]1CO[C@@H](CC)CN1C(=O)[C@H](C)N ZINC000403871888 411363666 /nfs/dbraw/zinc/36/36/66/411363666.db2.gz RTXULCDQGXTTPC-AEJSXWLSSA-N 0 3 214.309 0.750 20 0 BCADHN COCC1(N(C)C(=O)[C@@H](N)C(C)C)CC1 ZINC000658938216 411363847 /nfs/dbraw/zinc/36/38/47/411363847.db2.gz QSTINNUIKXRQMY-VIFPVBQESA-N 0 3 214.309 0.607 20 0 BCADHN CC(C)(N)C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000658940882 411363955 /nfs/dbraw/zinc/36/39/55/411363955.db2.gz CJJJJYSUGWQLLC-TXEJJXNPSA-N 0 3 226.320 0.609 20 0 BCADHN CC(C)(N)C(=O)NC[C@H]1CCOC1(C)C ZINC000658969138 411364567 /nfs/dbraw/zinc/36/45/67/411364567.db2.gz NALNWWBUPKUPIF-MRVPVSSYSA-N 0 3 214.309 0.655 20 0 BCADHN COC[C@H](CCNC(=O)[C@H]1NCC1(C)C)OC ZINC000659337762 411365451 /nfs/dbraw/zinc/36/54/51/411365451.db2.gz SSMIIPHXCNWQLT-VHSXEESVSA-N 0 3 244.335 0.152 20 0 BCADHN N[C@@H]1CN(C(=O)Nc2cnns2)CC[C@H]1F ZINC000659009526 411366889 /nfs/dbraw/zinc/36/68/89/411366889.db2.gz GSCSHXORESEJEA-PHDIDXHHSA-N 0 3 245.283 0.441 20 0 BCADHN COCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654306083 411369008 /nfs/dbraw/zinc/36/90/08/411369008.db2.gz GNSKMLJEXWWDQW-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CCC[C@@H](CNCC(=O)N(C)CC)OC ZINC000393480512 411334943 /nfs/dbraw/zinc/33/49/43/411334943.db2.gz IILLAOOAZQIPGV-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN C[C@H](O)CNCC1(S(C)(=O)=O)CCCCC1 ZINC000656714707 411338329 /nfs/dbraw/zinc/33/83/29/411338329.db2.gz SHQMQNTVIAYJLG-JTQLQIEISA-N 0 3 249.376 0.704 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](CO)CCF ZINC000652918072 411338718 /nfs/dbraw/zinc/33/87/18/411338718.db2.gz KVQRGHGLHBVUAI-VIFPVBQESA-N 0 3 220.288 0.163 20 0 BCADHN CCN(C[C@@H]1CCOC1)[C@@H]1CCN(CC)C1=O ZINC000659845589 411339926 /nfs/dbraw/zinc/33/99/26/411339926.db2.gz KHHALHPTYVYMIR-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN COCCN(C)CCO[C@H]1CC1(F)F ZINC000659849390 411341782 /nfs/dbraw/zinc/34/17/82/411341782.db2.gz OFZLWDGOLIQFIA-QMMMGPOBSA-N 0 3 209.236 0.989 20 0 BCADHN CC1(C)[C@H](NC(=O)C2(N)CC2)[C@@H]2CCCO[C@H]21 ZINC000376199541 168004757 /nfs/dbraw/zinc/00/47/57/168004757.db2.gz RPFKJIVQNXATTH-IVZWLZJFSA-N 0 3 238.331 0.798 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NCc1cnc2cnccn12 ZINC000275061484 168009080 /nfs/dbraw/zinc/00/90/80/168009080.db2.gz QDLYOYWAMDVZBX-GHMZBOCLSA-N 0 3 246.314 0.978 20 0 BCADHN CC1(CN2CCC[C@H](n3cncn3)C2)COC1 ZINC000336706787 168024382 /nfs/dbraw/zinc/02/43/82/168024382.db2.gz OHOLYHPNVXBCFF-NSHDSACASA-N 0 3 236.319 0.952 20 0 BCADHN CC1(CN2CCc3n[nH]c(=O)cc3C2)COC1 ZINC000360417816 168026612 /nfs/dbraw/zinc/02/66/12/168026612.db2.gz VEQYOUSHSLSDBI-UHFFFAOYSA-N 0 3 235.287 0.577 20 0 BCADHN CC1(CN[C@@H](Cc2ccccc2)C(N)=O)COC1 ZINC000273508883 168045177 /nfs/dbraw/zinc/04/51/77/168045177.db2.gz QKFUHFFMRRWTCP-LBPRGKRZSA-N 0 3 248.326 0.709 20 0 BCADHN O=C(CN1CC[C@@H]2COC[C@H]2C1)N1CCCC1 ZINC000662031371 411348627 /nfs/dbraw/zinc/34/86/27/411348627.db2.gz DVLCWTPAMVXZCD-VXGBXAGGSA-N 0 3 238.331 0.577 20 0 BCADHN CC1=C(C(=O)NCCN(C)C)CCCO1 ZINC000157752147 168076940 /nfs/dbraw/zinc/07/69/40/168076940.db2.gz IXXOYMKIUHSTBK-UHFFFAOYSA-N 0 3 212.293 0.749 20 0 BCADHN CC1=C(C(=O)NC[C@]2(O)CCN(C)C2)CCC1 ZINC000336493141 168077753 /nfs/dbraw/zinc/07/77/53/168077753.db2.gz ALDRBJUOESYUTP-CYBMUJFWSA-N 0 3 238.331 0.670 20 0 BCADHN CC1=C(C)CN(CCN2C(=O)CNC2=O)CC1 ZINC000280766236 168085285 /nfs/dbraw/zinc/08/52/85/168085285.db2.gz ORHQJHCRARSWHH-UHFFFAOYSA-N 0 3 237.303 0.580 20 0 BCADHN CN(C)CCNC(=O)c1ccn(C(C)(C)C)n1 ZINC000654371382 411379530 /nfs/dbraw/zinc/37/95/30/411379530.db2.gz NUHCCTMUXYDYJK-UHFFFAOYSA-N 0 3 238.335 0.930 20 0 BCADHN CC1=CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000333128625 168105664 /nfs/dbraw/zinc/10/56/64/168105664.db2.gz APHQZGYXWHUZQQ-LLVKDONJSA-N 0 3 239.319 0.336 20 0 BCADHN CC1=CCN(CCC(=O)NC(N)=O)CC1 ZINC000270376565 168110567 /nfs/dbraw/zinc/11/05/67/168110567.db2.gz VGQQYMZPCSRADG-UHFFFAOYSA-N 0 3 211.265 0.223 20 0 BCADHN COc1ccc(C(=O)NCCN(C)C)o1 ZINC000654371146 411380268 /nfs/dbraw/zinc/38/02/68/411380268.db2.gz JSJWKUNTWYZAAG-UHFFFAOYSA-N 0 3 212.249 0.580 20 0 BCADHN CC(C)(N)c1cn(CCn2cccn2)nn1 ZINC000069679865 411380303 /nfs/dbraw/zinc/38/03/03/411380303.db2.gz NHJITESKCGAMKZ-UHFFFAOYSA-N 0 3 220.280 0.369 20 0 BCADHN CC[C@H]1CN(CCc2c[nH]nn2)C[C@H](C)O1 ZINC000659917631 411381643 /nfs/dbraw/zinc/38/16/43/411381643.db2.gz HPILCHWGEZDLKK-ONGXEEELSA-N 0 3 224.308 0.847 20 0 BCADHN CC1CCC(O)(CN2CCNC(=O)CC2)CC1 ZINC000305184314 168167364 /nfs/dbraw/zinc/16/73/64/168167364.db2.gz IGHLZHIDTSDDRT-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN CC1CCN(CCN(C)[C@H]2CCNC2=O)CC1 ZINC000340219828 168178664 /nfs/dbraw/zinc/17/86/64/168178664.db2.gz AFDKVAWWJHQISN-LBPRGKRZSA-N 0 3 239.363 0.539 20 0 BCADHN CC1CCN(CCN(C)[C@@H]2CCNC2=O)CC1 ZINC000340219827 168179083 /nfs/dbraw/zinc/17/90/83/168179083.db2.gz AFDKVAWWJHQISN-GFCCVEGCSA-N 0 3 239.363 0.539 20 0 BCADHN CC1CCN(CCN2CCC[C@@H]2C(N)=O)CC1 ZINC000340827495 168179616 /nfs/dbraw/zinc/17/96/16/168179616.db2.gz UUIJLLXTKGGNGJ-GFCCVEGCSA-N 0 3 239.363 0.668 20 0 BCADHN C[C@@H](CO)NC(=O)NCCN1CCC(C)CC1 ZINC000077753321 168181641 /nfs/dbraw/zinc/18/16/41/168181641.db2.gz RPUXTKKIAAFASE-NSHDSACASA-N 0 3 243.351 0.398 20 0 BCADHN C[C@H](O)CNC(=O)NCCN1CCC(C)CC1 ZINC000186657967 168181868 /nfs/dbraw/zinc/18/18/68/168181868.db2.gz RGRISBFDGDVGFS-NSHDSACASA-N 0 3 243.351 0.398 20 0 BCADHN CC[C@H](C(N)=O)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000656916369 411387990 /nfs/dbraw/zinc/38/79/90/411387990.db2.gz ONVKYXNIMUPJQP-GMTAPVOTSA-N 0 3 238.331 0.751 20 0 BCADHN CN(CCN1CCCCC1)C(=O)c1cn[nH]c1 ZINC000652987981 411388633 /nfs/dbraw/zinc/38/86/33/411388633.db2.gz GENNHNURKWCPHZ-UHFFFAOYSA-N 0 3 236.319 0.968 20 0 BCADHN OC[C@H]1CCN(CCO[C@H]2CC2(F)F)C1 ZINC000659946167 411389182 /nfs/dbraw/zinc/38/91/82/411389182.db2.gz FWIRLPGFTJUGCY-IUCAKERBSA-N 0 3 221.247 0.725 20 0 BCADHN OC[C@@H]1CCN(CCO[C@H]2CC2(F)F)C1 ZINC000659946163 411389222 /nfs/dbraw/zinc/38/92/22/411389222.db2.gz FWIRLPGFTJUGCY-BDAKNGLRSA-N 0 3 221.247 0.725 20 0 BCADHN C[C@@H](O)C(=O)N(C)CCN1CCCCC1 ZINC000652991224 411390094 /nfs/dbraw/zinc/39/00/94/411390094.db2.gz VQQVBEAQZYXISR-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN COC[C@@H]1CCN(C(=O)NC[C@H](C)N(C)C)C1 ZINC000657003236 411391326 /nfs/dbraw/zinc/39/13/26/411391326.db2.gz VAWPWQZQSQDRIH-WDEREUQCSA-N 0 3 243.351 0.614 20 0 BCADHN CCC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000336328715 168226968 /nfs/dbraw/zinc/22/69/68/168226968.db2.gz LYOQPKILGMYTJU-IUCAKERBSA-N 0 3 216.350 0.900 20 0 BCADHN CCC(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000046947292 168229490 /nfs/dbraw/zinc/22/94/90/168229490.db2.gz OGEVOVXMZYWYBK-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN Cc1cc(NC(=O)CNC(C)C)c(=O)n(C)c1 ZINC000659247854 411382433 /nfs/dbraw/zinc/38/24/33/411382433.db2.gz ZQKIHPLTVWEKKK-UHFFFAOYSA-N 0 3 237.303 0.630 20 0 BCADHN CCN1CCN(CC(C)(C)NC(C)=O)CC1 ZINC000657007874 411391728 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ZINC000663484200 411669325 /nfs/dbraw/zinc/66/93/25/411669325.db2.gz NYGUPKOFCPQTAN-UHFFFAOYSA-N 0 3 236.271 0.402 20 0 BCADHN CC[C@@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000663485157 411669836 /nfs/dbraw/zinc/66/98/36/411669836.db2.gz ADYBKHHCIPZAJR-SECBINFHSA-N 0 3 212.293 0.233 20 0 BCADHN Cc1cccc(C(=O)N2CCOC3(CNC3)C2)c1 ZINC000663482849 411670140 /nfs/dbraw/zinc/67/01/40/411670140.db2.gz GKXSBRBVGJEIAM-UHFFFAOYSA-N 0 3 246.310 0.809 20 0 BCADHN CC1(C)CC[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663492586 411670533 /nfs/dbraw/zinc/67/05/33/411670533.db2.gz UBYYHKRJYPANLN-JTQLQIEISA-N 0 3 238.331 0.623 20 0 BCADHN COCCCCC(=O)N1CCOC2(CNC2)C1 ZINC000663488173 411670924 /nfs/dbraw/zinc/67/09/24/411670924.db2.gz PXMYCOHRTRVQAT-UHFFFAOYSA-N 0 3 242.319 0.004 20 0 BCADHN CC1(C)CC[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663492589 411670990 /nfs/dbraw/zinc/67/09/90/411670990.db2.gz UBYYHKRJYPANLN-SNVBAGLBSA-N 0 3 238.331 0.623 20 0 BCADHN CC[C@@H](C)[C@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000663493839 411672243 /nfs/dbraw/zinc/67/22/43/411672243.db2.gz LGBXCBXTKNVWBX-MNOVXSKESA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H](CCO)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000660918345 411672956 /nfs/dbraw/zinc/67/29/56/411672956.db2.gz DBSQDEUPESACFQ-RWMBFGLXSA-N 0 3 244.379 0.798 20 0 BCADHN C[C@@H](CCO)N(C)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000660918348 411673583 /nfs/dbraw/zinc/67/35/83/411673583.db2.gz DBSQDEUPESACFQ-YNEHKIRRSA-N 0 3 244.379 0.798 20 0 BCADHN CC1(C)C[C@@H](N2CCN3C[C@H](O)C[C@H]3C2)CO1 ZINC000660923625 411674011 /nfs/dbraw/zinc/67/40/11/411674011.db2.gz GWBQKDHCUPHZBH-QJPTWQEYSA-N 0 3 240.347 0.305 20 0 BCADHN C[C@H]1CN(CCN(C)CCCO)C[C@H](C)O1 ZINC000314389975 411683608 /nfs/dbraw/zinc/68/36/08/411683608.db2.gz PPVBKOSAKOKIKJ-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN C[NH2+]C[C@H](C)NCc1nc(C)ccc1[O-] ZINC000663507932 411689519 /nfs/dbraw/zinc/68/95/19/411689519.db2.gz CZVLUKGISAXNFS-VIFPVBQESA-N 0 3 209.293 0.793 20 0 BCADHN CCn1cc(CN2CC[C@@H](F)[C@H](N)C2)cn1 ZINC000663507408 411689720 /nfs/dbraw/zinc/68/97/20/411689720.db2.gz WESDRRWCZXUISZ-GHMZBOCLSA-N 0 3 226.299 0.774 20 0 BCADHN Nc1ncc(CN2CC[C@@H](F)[C@H](N)C2)s1 ZINC000663506537 411690752 /nfs/dbraw/zinc/69/07/52/411690752.db2.gz UHIQZZVMWXRENY-HTQZYQBOSA-N 0 3 230.312 0.596 20 0 BCADHN C(CN1CCOC2(CNC2)C1)[C@H]1CCOC1 ZINC000663510583 411692638 /nfs/dbraw/zinc/69/26/38/411692638.db2.gz PZNWHIKDDNRNOK-NSHDSACASA-N 0 3 226.320 0.087 20 0 BCADHN O[C@@H]1CCN(CCNc2cc(C3CC3)ncn2)C1 ZINC000641687019 411694375 /nfs/dbraw/zinc/69/43/75/411694375.db2.gz GAKYSJILBAFMPS-LLVKDONJSA-N 0 3 248.330 0.833 20 0 BCADHN COc1cc(NC(=O)/C=C\CN(C)C)nn1C ZINC000492645670 411697373 /nfs/dbraw/zinc/69/73/73/411697373.db2.gz KJXXXUQVHWNTRH-WAYWQWQTSA-N 0 3 238.291 0.485 20 0 BCADHN CN(Cc1cnc[nH]1)C[C@@H](O)Cn1cccn1 ZINC000661087636 411698705 /nfs/dbraw/zinc/69/87/05/411698705.db2.gz WLOIYDLUOYYWHY-LLVKDONJSA-N 0 3 235.291 0.099 20 0 BCADHN C[C@H]1CN(CCN(C)Cc2cnc[nH]2)CCO1 ZINC000661087875 411700223 /nfs/dbraw/zinc/70/02/23/411700223.db2.gz CGWDNIDKQXRDKE-NSHDSACASA-N 0 3 238.335 0.562 20 0 BCADHN COc1ccc2c(c1)[nH]nc2NC(=O)C1(N)CC1 ZINC000423764743 411731032 /nfs/dbraw/zinc/73/10/32/411731032.db2.gz YAWJLFHYWXLXFL-UHFFFAOYSA-N 0 3 246.270 1.001 20 0 BCADHN O=C1NCCN1CCN1CCC12CCOCC2 ZINC000661223158 411735816 /nfs/dbraw/zinc/73/58/16/411735816.db2.gz NMXYJQWEBRHPTF-UHFFFAOYSA-N 0 3 239.319 0.267 20 0 BCADHN C[C@@H](CNC(=O)NCCOCCF)N(C)C ZINC000661278375 411747312 /nfs/dbraw/zinc/74/73/12/411747312.db2.gz QRDQDKFDHRGUBQ-VIFPVBQESA-N 0 3 235.303 0.222 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000430698310 411750784 /nfs/dbraw/zinc/75/07/84/411750784.db2.gz NAEYQMSGIPSCPO-JTQLQIEISA-N 0 3 245.286 0.943 20 0 BCADHN CN[C@@H](C)C(=O)N1CCn2c3ccccc3nc21 ZINC000568235521 322929347 /nfs/dbraw/zinc/92/93/47/322929347.db2.gz RBHCAJSITYARLN-VIFPVBQESA-N 0 3 244.298 0.991 20 0 BCADHN CCc1[nH]nc(NC(=O)[C@H](N)C(C)C)c1C ZINC000573603552 411757657 /nfs/dbraw/zinc/75/76/57/411757657.db2.gz FOPUEYMMRPFUMF-SECBINFHSA-N 0 3 224.308 1.202 20 0 BCADHN Cc1nc(C)c(F)c(NCCN(C)C)n1 ZINC000336760524 411759083 /nfs/dbraw/zinc/75/90/83/411759083.db2.gz LSKAGCABXPKZSX-UHFFFAOYSA-N 0 3 212.272 1.206 20 0 BCADHN CCc1cc(NC(=O)C23CCCN2CCC3)n[nH]1 ZINC000368105658 411761986 /nfs/dbraw/zinc/76/19/86/411761986.db2.gz VGIAVZYHSIFCMZ-UHFFFAOYSA-N 0 3 248.330 1.539 20 0 BCADHN CCS(=O)(=O)C1C[C@@H]2CCCC[C@H]2NC1=O ZINC000332674665 170622817 /nfs/dbraw/zinc/62/28/17/170622817.db2.gz CPRDZPFCPDWTGU-IVZWLZJFSA-N 0 3 245.344 0.868 20 0 BCADHN COc1nc(C)cc(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000354499543 411775898 /nfs/dbraw/zinc/77/58/98/411775898.db2.gz CHTLDDZSSIVFMI-SNVBAGLBSA-N 0 3 248.330 1.442 20 0 BCADHN COc1nc(C)cc(N[C@H]2CCN(C3CC3)C2)n1 ZINC000354499541 411775924 /nfs/dbraw/zinc/77/59/24/411775924.db2.gz CHTLDDZSSIVFMI-JTQLQIEISA-N 0 3 248.330 1.442 20 0 BCADHN CCSCC[C@@H](C)N(C)C(=O)CN ZINC000121643382 170641161 /nfs/dbraw/zinc/64/11/61/170641161.db2.gz MGTFXMBYGUGDCZ-MRVPVSSYSA-N 0 3 204.339 0.935 20 0 BCADHN C[C@H]1COC2(CCC2)CN1C[C@H]1CNC(=O)C1 ZINC000661460997 411781427 /nfs/dbraw/zinc/78/14/27/411781427.db2.gz AXBBPBSZQZHPMM-WDEREUQCSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@@H]1CCCN(CC(=O)N2CCC2)[C@H]1CCO ZINC000661488723 411785065 /nfs/dbraw/zinc/78/50/65/411785065.db2.gz MKTNEUPMVKKUID-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@@H](C(=O)N(CC)[C@@H](C)CO)N(C)C ZINC000358844224 170661755 /nfs/dbraw/zinc/66/17/55/170661755.db2.gz CWTLVSDLPFWSFD-UWVGGRQHSA-N 0 3 216.325 0.556 20 0 BCADHN OC[C@H](NCc1cn2cccnc2n1)C1CCC1 ZINC000661154613 411722251 /nfs/dbraw/zinc/72/22/51/411722251.db2.gz BNWBZERKIRQGNW-LBPRGKRZSA-N 0 3 246.314 0.980 20 0 BCADHN O=C(CN[C@H](CO)C1CCC1)NC1CC1 ZINC000661154500 411722696 /nfs/dbraw/zinc/72/26/96/411722696.db2.gz AMRDFPWHCVIEKE-SNVBAGLBSA-N 0 3 212.293 0.016 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cc(CC(C)C)[nH]n1 ZINC000582723821 411728163 /nfs/dbraw/zinc/72/81/63/411728163.db2.gz RYURNKPDZWTNIY-SECBINFHSA-N 0 3 224.308 1.284 20 0 BCADHN Cc1nnc([N-][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)o1 ZINC000328616574 411799447 /nfs/dbraw/zinc/79/94/47/411799447.db2.gz SRHMWNDCNSGRAR-WCBMZHEXSA-N 0 3 224.308 1.519 20 0 BCADHN Cc1nnc([N-][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)o1 ZINC000328616574 411799452 /nfs/dbraw/zinc/79/94/52/411799452.db2.gz SRHMWNDCNSGRAR-WCBMZHEXSA-N 0 3 224.308 1.519 20 0 BCADHN Cc1nnc(N[C@@H]2C[C@H](C)N(C3CC3)C2)o1 ZINC000336726882 411799790 /nfs/dbraw/zinc/79/97/90/411799790.db2.gz BTPMLOAJURTXCH-IONNQARKSA-N 0 3 222.292 1.415 20 0 BCADHN C[C@@H](CNC(=O)NC/C=C\CO)N(C)C1CC1 ZINC000663997992 411807789 /nfs/dbraw/zinc/80/77/89/411807789.db2.gz HHLDTFJXYWJHMC-XOULXFPDSA-N 0 3 241.335 0.317 20 0 BCADHN C[C@H](CNC(=O)NC/C=C\CO)N(C)C1CC1 ZINC000663997991 411808254 /nfs/dbraw/zinc/80/82/54/411808254.db2.gz HHLDTFJXYWJHMC-UMBAGQNISA-N 0 3 241.335 0.317 20 0 BCADHN CC(C)NC(=O)CCN(C)C[C@@H]1COCCO1 ZINC000661605734 411813788 /nfs/dbraw/zinc/81/37/88/411813788.db2.gz QPGBSHRDLZVTAF-LLVKDONJSA-N 0 3 244.335 0.248 20 0 BCADHN CC[C@@H](O)CN(C)C[C@H]1COCCO1 ZINC000661603089 411814261 /nfs/dbraw/zinc/81/42/61/411814261.db2.gz GFLOFKGBBCMJKZ-ZJUUUORDSA-N 0 3 203.282 0.105 20 0 BCADHN CN(C[C@@H]1COCCO1)[C@@H]1CCOC1 ZINC000661611240 411816388 /nfs/dbraw/zinc/81/63/88/411816388.db2.gz ITKMFPGFAVQEFN-NXEZZACHSA-N 0 3 201.266 0.123 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Nc1nncs1 ZINC000348178571 411816684 /nfs/dbraw/zinc/81/66/84/411816684.db2.gz ZWYZJUQZLOCULH-LURJTMIESA-N 0 3 229.309 0.610 20 0 BCADHN Cc1nocc1CNc1ccn(CCN(C)C)n1 ZINC000339298834 411818013 /nfs/dbraw/zinc/81/80/13/411818013.db2.gz RZECTOLYSBIBAZ-UHFFFAOYSA-N 0 3 249.318 1.353 20 0 BCADHN C[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@H](C)[C@H]1O ZINC000661621408 411820576 /nfs/dbraw/zinc/82/05/76/411820576.db2.gz DMJILYARXYKVDX-WHOHXGKFSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@@H](C)C1O ZINC000661621407 411820612 /nfs/dbraw/zinc/82/06/12/411820612.db2.gz DMJILYARXYKVDX-MXWKQRLJSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@@H](CNc1ccc2c(n1)C(=O)CC2)N(C)C ZINC000641313468 411821119 /nfs/dbraw/zinc/82/11/19/411821119.db2.gz PFOVQXDQNRBDAL-VIFPVBQESA-N 0 3 233.315 1.573 20 0 BCADHN C[C@@H](N)[C@H](C)Nc1nccn(C2CC2)c1=O ZINC000381557710 411824591 /nfs/dbraw/zinc/82/45/91/411824591.db2.gz HJVRMHYOBBLQJK-SFYZADRCSA-N 0 3 222.292 0.726 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@](O)(C2CC2)C1 ZINC000661635315 411827763 /nfs/dbraw/zinc/82/77/63/411827763.db2.gz FDCSVGNNRADLNZ-CYBMUJFWSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC[C@](O)(C2CC2)C1 ZINC000661636040 411829114 /nfs/dbraw/zinc/82/91/14/411829114.db2.gz IWNUECCQKVFKMX-GXFFZTMASA-N 0 3 240.347 0.700 20 0 BCADHN O=S1(=O)NCCCN1CCN1CCCCC1 ZINC000664058988 411834765 /nfs/dbraw/zinc/83/47/65/411834765.db2.gz IBECGOIPRUAWDR-UHFFFAOYSA-N 0 3 247.364 0.012 20 0 BCADHN C[C@]12COC[C@@H]1CN(CC(=O)NC1CC1)C2 ZINC000661700691 411845367 /nfs/dbraw/zinc/84/53/67/411845367.db2.gz YDYSOFZTJFVFKV-CABZTGNLSA-N 0 3 224.304 0.233 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@H]2COC[C@]2(C)C1 ZINC000661703489 411847194 /nfs/dbraw/zinc/84/71/94/411847194.db2.gz UEULPHDHQNXEJH-NRUUGDAUSA-N 0 3 238.331 0.622 20 0 BCADHN CCCNC(=O)CN1C[C@@H]2COC[C@]2(C)C1 ZINC000661701283 411847657 /nfs/dbraw/zinc/84/76/57/411847657.db2.gz ZFCDZHLHFCHJQX-PWSUYJOCSA-N 0 3 226.320 0.481 20 0 BCADHN COC(=O)[C@H](C)CN(C)Cc1ccc(N)nc1 ZINC000592430973 411849636 /nfs/dbraw/zinc/84/96/36/411849636.db2.gz KXVQVFFXPSWCCY-SECBINFHSA-N 0 3 237.303 0.905 20 0 BCADHN CCCCN(C)CCNC(=O)NC/C=C/CO ZINC000664094579 411851667 /nfs/dbraw/zinc/85/16/67/411851667.db2.gz FCJOZZIGSLSNAP-AATRIKPKSA-N 0 3 243.351 0.566 20 0 BCADHN O[C@]12C[C@H]1CN(CCn1cccn1)CC2 ZINC000661716317 411856096 /nfs/dbraw/zinc/85/60/96/411856096.db2.gz PLVXYEODIMKIGQ-WDEREUQCSA-N 0 3 207.277 0.340 20 0 BCADHN CCN1C[C@@H](C)N(Cc2nccc(N)n2)[C@@H](C)C1 ZINC000459478820 411856587 /nfs/dbraw/zinc/85/65/87/411856587.db2.gz NLQBOECGFDWZOZ-PHIMTYICSA-N 0 3 249.362 0.973 20 0 BCADHN CCOCC[C@H](O)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000661723408 411857569 /nfs/dbraw/zinc/85/75/69/411857569.db2.gz MDAYWHFSYBGHLX-SDDRHHMPSA-N 0 3 229.320 0.231 20 0 BCADHN O[C@]12C[C@H]1CN(CCO[C@@H]1CCCCO1)CC2 ZINC000661723735 411860553 /nfs/dbraw/zinc/86/05/53/411860553.db2.gz RVWPUZQDPDZERD-YNEHKIRRSA-N 0 3 241.331 0.986 20 0 BCADHN CCN1[C@H](C)CN(Cc2nccc(N)n2)C[C@@H]1C ZINC000639743741 411861177 /nfs/dbraw/zinc/86/11/77/411861177.db2.gz UKTMJQTYIPIWRQ-PHIMTYICSA-N 0 3 249.362 0.973 20 0 BCADHN O=C(NC/C=C\CO)N[C@H]1CCN(C2CC2)C1 ZINC000664127502 411863225 /nfs/dbraw/zinc/86/32/25/411863225.db2.gz HRIOMZAIBCJOOR-SYBPUXJVSA-N 0 3 239.319 0.071 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)NC/C=C/CO)CCN1C ZINC000664215967 411887562 /nfs/dbraw/zinc/88/75/62/411887562.db2.gz DKNSSJBRDXSRIE-YIZUVKHSSA-N 0 3 241.335 0.317 20 0 BCADHN C[C@@H](NC(=O)[C@H]1NCC1(C)C)c1nccc(N)n1 ZINC000638855717 411888207 /nfs/dbraw/zinc/88/82/07/411888207.db2.gz IETDTBYPIOMJDN-VXNVDRBHSA-N 0 3 249.318 0.234 20 0 BCADHN C[C@H]1CC[C@@H](CN2CCC(=O)N(C)CC2)O1 ZINC000661807262 411889091 /nfs/dbraw/zinc/88/90/91/411889091.db2.gz SXDDCCUVXRDVOY-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCC(=O)N(C)CC2)O1 ZINC000661807260 411889226 /nfs/dbraw/zinc/88/92/26/411889226.db2.gz SXDDCCUVXRDVOY-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN CN1CCN(CC2(O)CCCC2)CCC1=O ZINC000661813014 411890929 /nfs/dbraw/zinc/89/09/29/411890929.db2.gz PXPRWDXMTKPCLE-UHFFFAOYSA-N 0 3 226.320 0.456 20 0 BCADHN CCN1CC[C@H](N[C@@H]2C[C@@H](O)C23CCC3)C1=O ZINC000661825340 411892679 /nfs/dbraw/zinc/89/26/79/411892679.db2.gz FTGSKBCYMDGBIQ-HBNTYKKESA-N 0 3 238.331 0.500 20 0 BCADHN CCc1nc(CN[C@@H]2C[C@H](O)C23CCC3)n[nH]1 ZINC000661831255 411895817 /nfs/dbraw/zinc/89/58/17/411895817.db2.gz NAAJCSUFZZYQHJ-BDAKNGLRSA-N 0 3 236.319 0.760 20 0 BCADHN O=C(CN[C@@H]1C[C@@H](O)C12CCC2)N1CCCC1 ZINC000661830516 411895887 /nfs/dbraw/zinc/89/58/87/411895887.db2.gz JCBLMTQTZALLES-GHMZBOCLSA-N 0 3 238.331 0.502 20 0 BCADHN CS(=O)(=O)CCCN[C@H]1C[C@@H](O)C12CCC2 ZINC000661833006 411897112 /nfs/dbraw/zinc/89/71/12/411897112.db2.gz MIZVCNCRQRGOKD-VHSXEESVSA-N 0 3 247.360 0.314 20 0 BCADHN CN1CC[C@H](c2nc(-c3cncnc3N)no2)C1 ZINC000350218963 411897429 /nfs/dbraw/zinc/89/74/29/411897429.db2.gz NSXYSRWDRAYLMW-ZETCQYMHSA-N 0 3 246.274 0.528 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1ncccc1N ZINC000132302153 411897560 /nfs/dbraw/zinc/89/75/60/411897560.db2.gz YZXSAYVFJYQLDY-SNVBAGLBSA-N 0 3 248.330 0.878 20 0 BCADHN CN1CC[C@H](N[C@H]2C[C@@H](O)C23CCC3)C1=O ZINC000661834420 411897595 /nfs/dbraw/zinc/89/75/95/411897595.db2.gz GVSSWVJCAALXOI-LPEHRKFASA-N 0 3 224.304 0.110 20 0 BCADHN CS(=O)(=O)CCCN[C@H]1C[C@H](O)C12CCC2 ZINC000661833005 411897663 /nfs/dbraw/zinc/89/76/63/411897663.db2.gz MIZVCNCRQRGOKD-UWVGGRQHSA-N 0 3 247.360 0.314 20 0 BCADHN CCN(CC)C(=O)CN[C@@H]1C[C@H](O)C12CCC2 ZINC000661843512 411900204 /nfs/dbraw/zinc/90/02/04/411900204.db2.gz YGQNWMQJEJXEPC-MNOVXSKESA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@H]1C[C@@H](O)C12CCC2 ZINC000661843776 411900260 /nfs/dbraw/zinc/90/02/60/411900260.db2.gz YZFWJROTCVNOQE-GARJFASQSA-N 0 3 240.347 0.794 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000661858540 411905550 /nfs/dbraw/zinc/90/55/50/411905550.db2.gz YKQLXCBRASNRNR-KXUCPTDWSA-N 0 3 214.309 0.750 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCc2cncnc2C1 ZINC000353668822 170794434 /nfs/dbraw/zinc/79/44/34/170794434.db2.gz QCAKLXBNXYNWSL-SKDRFNHKSA-N 0 3 248.330 0.735 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc(N)nc2)[C@@H](C)CN1 ZINC000638158353 411908842 /nfs/dbraw/zinc/90/88/42/411908842.db2.gz PKROUDBMLXRQLD-BDAKNGLRSA-N 0 3 234.303 0.486 20 0 BCADHN CN(C)CCN(C)c1nc(N)nc2c1CCCC2 ZINC000645182658 411909737 /nfs/dbraw/zinc/90/97/37/411909737.db2.gz MQKVBDZZDOPCLB-UHFFFAOYSA-N 0 3 249.362 0.935 20 0 BCADHN C[C@@H]1CNCCN1c1ncnc2nc(N)ccc21 ZINC000420161333 411910290 /nfs/dbraw/zinc/91/02/90/411910290.db2.gz CFODWZGJCAQHRR-MRVPVSSYSA-N 0 3 244.302 0.405 20 0 BCADHN 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Nc1ncc2c(n1)CN(C[C@@H]1CCCOC1)CC2 ZINC000623293773 411934228 /nfs/dbraw/zinc/93/42/28/411934228.db2.gz FXEMHJDSUXDAQV-JTQLQIEISA-N 0 3 248.330 0.844 20 0 BCADHN C[C@]1(F)CNCCN(Cc2ccnc(N)c2)C1 ZINC000420323102 411935246 /nfs/dbraw/zinc/93/52/46/411935246.db2.gz ATRNIRMCMJDDOY-LBPRGKRZSA-N 0 3 238.310 0.797 20 0 BCADHN CC[C@@H](CO)N1CCN(CCCCOC)CC1 ZINC000304297285 170834898 /nfs/dbraw/zinc/83/48/98/170834898.db2.gz GCZPAFILGCJCPH-ZDUSSCGKSA-N 0 3 244.379 0.802 20 0 BCADHN C[C@H](O)CCN1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662007699 411939832 /nfs/dbraw/zinc/93/98/32/411939832.db2.gz JAMYVHLPIKFSOR-WDEREUQCSA-N 0 3 243.351 0.445 20 0 BCADHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662008564 411941190 /nfs/dbraw/zinc/94/11/90/411941190.db2.gz OXWUNZTYBFIRCV-VHSXEESVSA-N 0 3 229.324 0.055 20 0 BCADHN CC[C@@H](CO)NCc1c[nH]c(C(=O)OC)c1 ZINC000165586540 170840189 /nfs/dbraw/zinc/84/01/89/170840189.db2.gz MKLWPFXXGXPUJU-VIFPVBQESA-N 0 3 226.276 0.662 20 0 BCADHN CSCCN1CCc2nnc(N)cc2C1 ZINC000361942001 411870724 /nfs/dbraw/zinc/87/07/24/411870724.db2.gz FWMOZVGGPVRYGX-UHFFFAOYSA-N 0 3 224.333 0.780 20 0 BCADHN CC[C@@H](COC)NC(=O)[C@@H](N)CC(F)F ZINC000309032185 170845869 /nfs/dbraw/zinc/84/58/69/170845869.db2.gz CKMUTSFJGZRUDH-BQBZGAKWSA-N 0 3 224.251 0.510 20 0 BCADHN CC[C@@H](O)CN1CCC[C@H](c2nnc(N)o2)C1 ZINC000639822751 411880132 /nfs/dbraw/zinc/88/01/32/411880132.db2.gz XIUUBLIOCKFJBZ-DTWKUNHWSA-N 0 3 240.307 0.602 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H]1[C@H](C)O ZINC000661770661 411880781 /nfs/dbraw/zinc/88/07/81/411880781.db2.gz GPCMIGZOJJNWKN-VHSXEESVSA-N 0 3 214.309 0.310 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N[C@@H](C)CCO)C1 ZINC000664185803 411882708 /nfs/dbraw/zinc/88/27/08/411882708.db2.gz UDUYUBQDBWXOCQ-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN CN(Cc1ccnc(N)c1)[C@H]1CCC[C@@H]1O ZINC000348104271 411882878 /nfs/dbraw/zinc/88/28/78/411882878.db2.gz GYQAKLOIHKOLKR-QWRGUYRKSA-N 0 3 221.304 1.009 20 0 BCADHN CO[C@H](C)[C@H](C)NC1CN(C(C)=O)C1 ZINC000568238913 322929548 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/nfs/dbraw/zinc/97/40/07/411974007.db2.gz QIMGPHHCCPFABJ-GHMZBOCLSA-N 0 3 241.335 0.511 20 0 BCADHN C([C@H]1COCCO1)N1CCC2(COC2)C1 ZINC000662072358 411974352 /nfs/dbraw/zinc/97/43/52/411974352.db2.gz HGZUHYZLOAVDHS-JTQLQIEISA-N 0 3 213.277 0.124 20 0 BCADHN C[C@@H]1CN(CCn2cncn2)C[C@]1(C)CO ZINC000662136969 411999466 /nfs/dbraw/zinc/99/94/66/411999466.db2.gz WIFULUUCIAWPFO-GHMZBOCLSA-N 0 3 224.308 0.228 20 0 BCADHN C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@@]1(C)CO ZINC000662136184 411999985 /nfs/dbraw/zinc/99/99/85/411999985.db2.gz OKCGSXYZISMLPJ-MFKMUULPSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@@]1(C)CO ZINC000662143548 412003270 /nfs/dbraw/zinc/00/32/70/412003270.db2.gz MMIBSCQHSGNKEJ-WZRBSPASSA-N 0 3 240.347 0.558 20 0 BCADHN CCNC(=O)CN1CCCC[C@H]1C1(O)CC1 ZINC000664723795 412009503 /nfs/dbraw/zinc/00/95/03/412009503.db2.gz NWPHPGXHBKFEIM-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN O=C(C[C@H]1C=CCC1)N1CCOC2(CNC2)C1 ZINC000664727418 412014129 /nfs/dbraw/zinc/01/41/29/412014129.db2.gz IAZHTCLPLXPVLF-NSHDSACASA-N 0 3 236.315 0.544 20 0 BCADHN Cn1ccc(CN2CC[C@@H]3COC[C@H]3C2)n1 ZINC000662029806 411945161 /nfs/dbraw/zinc/94/51/61/411945161.db2.gz BRFPNXVUPCUKKQ-GHMZBOCLSA-N 0 3 221.304 0.888 20 0 BCADHN CC[C@@H](O)CN1CC[C@H](n2cncn2)C1 ZINC000368890081 170932358 /nfs/dbraw/zinc/93/23/58/170932358.db2.gz UWYWIJHPAKGOBO-VHSXEESVSA-N 0 3 210.281 0.296 20 0 BCADHN CCn1cnc(C(=O)N2C[C@H](C)NC[C@H]2C)c1 ZINC000662515114 487621378 /nfs/dbraw/zinc/62/13/78/487621378.db2.gz UJYONGDFTFYLFG-VHSXEESVSA-N 0 3 236.319 0.725 20 0 BCADHN Nc1cc2c(nn1)CCN([C@@H]1CCCC[C@H]1O)C2 ZINC000363466378 411949800 /nfs/dbraw/zinc/94/98/00/411949800.db2.gz GBOLCBVCHMIEKF-VXGBXAGGSA-N 0 3 248.330 0.720 20 0 BCADHN Cn1nccc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000662035034 411952084 /nfs/dbraw/zinc/95/20/84/411952084.db2.gz ORSHPBBIDFMVIC-MNOVXSKESA-N 0 3 221.304 0.888 20 0 BCADHN CN(C)C(=O)CN1CC[C@H]2COC[C@@H]2C1 ZINC000662036530 411953194 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/nfs/dbraw/zinc/95/90/49/411959049.db2.gz XRLQZHZETBBNKU-QWHCGFSZSA-N 0 3 240.347 0.287 20 0 BCADHN Nc1ccc(NC(=O)[C@H]2CCCCCN2)cn1 ZINC000364467845 411960474 /nfs/dbraw/zinc/96/04/74/411960474.db2.gz OIPLCDXEQGNTGJ-SNVBAGLBSA-N 0 3 234.303 1.135 20 0 BCADHN Nc1ncc(CN2CCNC[C@@H]2C(F)F)s1 ZINC000647541803 411961510 /nfs/dbraw/zinc/96/15/10/411961510.db2.gz LPMRCRCJNLUEBM-SSDOTTSWSA-N 0 3 248.302 0.764 20 0 BCADHN CN1CC[C@H](CNC(=O)c2ncccc2N)C1 ZINC000132446376 411962671 /nfs/dbraw/zinc/96/26/71/411962671.db2.gz UCFHYJLPMKFOHD-SECBINFHSA-N 0 3 234.303 0.345 20 0 BCADHN CS(=O)(=O)[C@H]1CCCC[C@@H]1N[C@@H]1CCOC1 ZINC000134008857 412030679 /nfs/dbraw/zinc/03/06/79/412030679.db2.gz JSJVIFMWRSFYDL-VWYCJHECSA-N 0 3 247.360 0.721 20 0 BCADHN Cn1ncc2c1CC(C)(C)CN(CCO)C2 ZINC000664873781 412035926 /nfs/dbraw/zinc/03/59/26/412035926.db2.gz BFAPSAYPNHTULG-UHFFFAOYSA-N 0 3 223.320 0.797 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000664895399 412040229 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ADEICECOQUSCHV-LLVKDONJSA-N 0 3 223.320 0.982 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCC[C@@]1(C)CO)N(C)C ZINC000331354927 171231848 /nfs/dbraw/zinc/23/18/48/171231848.db2.gz PZBDQRZSKSMIOQ-WZRBSPASSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)CC(C)(C)O)N(C)C ZINC000332476497 171232081 /nfs/dbraw/zinc/23/20/81/171232081.db2.gz AKHWTURGMNOKRP-VHSXEESVSA-N 0 3 230.352 0.992 20 0 BCADHN CC[C@H](C(=O)N[C@H](CO)C(C)C)N(C)C ZINC000180993297 171233049 /nfs/dbraw/zinc/23/30/49/171233049.db2.gz GPRCQIMGWDWSKF-NXEZZACHSA-N 0 3 216.325 0.460 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)c1nnc[n-]1)[NH+](C)C ZINC000165973795 171233187 /nfs/dbraw/zinc/23/31/87/171233187.db2.gz DQNRGUSGWGTUDX-HTQZYQBOSA-N 0 3 225.296 0.322 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)c1ncon1)N(C)C ZINC000272166950 171233190 /nfs/dbraw/zinc/23/31/90/171233190.db2.gz IQFZMYRZKVSYIT-HTQZYQBOSA-N 0 3 226.280 0.587 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)[C@@H](CO)SC)N(C)C ZINC000305355182 171233343 /nfs/dbraw/zinc/23/33/43/171233343.db2.gz RSAISDXOXMIQFT-OPRDCNLKSA-N 0 3 248.392 0.555 20 0 BCADHN CC[C@H](C(N)=O)N1CCC(CC)(CO)CC1 ZINC000305747626 171242445 /nfs/dbraw/zinc/24/24/45/171242445.db2.gz PYNGARWXIQUXPO-SNVBAGLBSA-N 0 3 228.336 0.735 20 0 BCADHN CC[C@H](C(N)=O)N1CCC(CNC(C)=O)CC1 ZINC000227872928 171242945 /nfs/dbraw/zinc/24/29/45/171242945.db2.gz RPTPPGMWRDEKSW-LLVKDONJSA-N 0 3 241.335 0.098 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000366660739 171244278 /nfs/dbraw/zinc/24/42/78/171244278.db2.gz ZQGKKHSIAYASNN-OUAUKWLOSA-N 0 3 226.320 0.609 20 0 BCADHN C[C@@H](NC[C@H]1CNCCO1)c1ccccn1 ZINC000662284575 412074550 /nfs/dbraw/zinc/07/45/50/412074550.db2.gz ZEDGYKIXXWIKKP-GHMZBOCLSA-N 0 3 221.304 0.721 20 0 BCADHN CC[C@H](C)C(=O)NC1(CCO)CCN(C)CC1 ZINC000354146293 171249940 /nfs/dbraw/zinc/24/99/40/171249940.db2.gz AQCKRZWKMFKKLZ-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C)CN(C)CC(=O)N1CCNCC1 ZINC000037173269 171272929 /nfs/dbraw/zinc/27/29/29/171272929.db2.gz WIHWHIUXXVMMAL-NSHDSACASA-N 0 3 227.352 0.396 20 0 BCADHN CC[C@H](C)CN(C)[C@@H](COC)C(N)=O ZINC000339354470 171274025 /nfs/dbraw/zinc/27/40/25/171274025.db2.gz GZIBXNRFVVWHDH-IUCAKERBSA-N 0 3 202.298 0.465 20 0 BCADHN CC[C@H](C)CN(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336644124 171274448 /nfs/dbraw/zinc/27/44/48/171274448.db2.gz BSPMAEOEZZESCN-WDEREUQCSA-N 0 3 248.392 0.998 20 0 BCADHN CC[C@H](C)N(C)CCNS(=O)(=O)N1CCC1 ZINC000332080599 171306736 /nfs/dbraw/zinc/30/67/36/171306736.db2.gz ZZJJVSQTDMHVQZ-JTQLQIEISA-N 0 3 249.380 0.257 20 0 BCADHN CC[C@H](C)N(C)CCNS(=O)(=O)C1CC1 ZINC000123026037 171307146 /nfs/dbraw/zinc/30/71/46/171307146.db2.gz HTHVZRDQTOAKAU-VIFPVBQESA-N 0 3 234.365 0.799 20 0 BCADHN CC[C@H](C)N1CCC(S(=O)(=O)NC)CC1 ZINC000334539211 171317325 /nfs/dbraw/zinc/31/73/25/171317325.db2.gz JUHLVHDMLPOZQN-VIFPVBQESA-N 0 3 234.365 0.799 20 0 BCADHN CC[C@H](C)N1CCC[C@@H]1CS(=O)(=O)NC ZINC000337316930 171318202 /nfs/dbraw/zinc/31/82/02/171318202.db2.gz KYPCMUWXNSSIHL-VHSXEESVSA-N 0 3 234.365 0.799 20 0 BCADHN CC[C@H](C)N1CC[C@H](S(N)(=O)=O)C1 ZINC000307683102 171319914 /nfs/dbraw/zinc/31/99/14/171319914.db2.gz GPQMWATXVSFJJQ-YUMQZZPRSA-N 0 3 206.311 0.148 20 0 BCADHN CC[C@H](C)NC(=O)CCNC(=O)CNC(C)C ZINC000038014992 171322254 /nfs/dbraw/zinc/32/22/54/171322254.db2.gz LYYURJCNWGZTSC-JTQLQIEISA-N 0 3 243.351 0.405 20 0 BCADHN CC[C@H](C)NC(=O)CCNC(=O)[C@@H](N)C(C)C ZINC000038014912 171322599 /nfs/dbraw/zinc/32/25/99/171322599.db2.gz INRAKWFYUDBQIN-ONGXEEELSA-N 0 3 243.351 0.391 20 0 BCADHN CC[C@H](C)NC(=O)NCCN(C)CCOC ZINC000339322896 171329042 /nfs/dbraw/zinc/32/90/42/171329042.db2.gz SHHUHVCKPSCCRY-JTQLQIEISA-N 0 3 231.340 0.662 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)N ZINC000236979114 171332685 /nfs/dbraw/zinc/33/26/85/171332685.db2.gz JGALBMTVKUZOBL-JGVFFNPUSA-N 0 3 229.324 0.143 20 0 BCADHN CC[C@H](C)OCC(=O)N(C)CCN(C)C ZINC000337435243 171351201 /nfs/dbraw/zinc/35/12/01/171351201.db2.gz WZXZDMWOJAAYJT-JTQLQIEISA-N 0 3 216.325 0.822 20 0 BCADHN CC[C@H](C)[C@@H](C)NC(=O)COC1CNC1 ZINC000309513289 171362211 /nfs/dbraw/zinc/36/22/11/171362211.db2.gz QIJWWPNUSZJHDI-DTWKUNHWSA-N 0 3 214.309 0.526 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000237054185 171369510 /nfs/dbraw/zinc/36/95/10/171369510.db2.gz AUAAXKVKATUBDX-DMDPSCGWSA-N 0 3 240.347 0.999 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(C)CCOC ZINC000038101278 171369829 /nfs/dbraw/zinc/36/98/29/171369829.db2.gz YEGPJRYNUCKDEZ-DTWKUNHWSA-N 0 3 202.298 0.465 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCc2cncnc2C1 ZINC000353668820 171370240 /nfs/dbraw/zinc/37/02/40/171370240.db2.gz QCAKLXBNXYNWSL-JOYOIKCWSA-N 0 3 248.330 0.735 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCCn1cccn1 ZINC000163653522 171370504 /nfs/dbraw/zinc/37/05/04/171370504.db2.gz HLJHSTYUQBRLHP-WDEREUQCSA-N 0 3 238.335 0.763 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)Cn1cncn1 ZINC000353506093 171371346 /nfs/dbraw/zinc/37/13/46/171371346.db2.gz KEJZBEIWCUYVOM-IVZWLZJFSA-N 0 3 239.323 0.156 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCc1nc(C)no1 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171394116 /nfs/dbraw/zinc/39/41/16/171394116.db2.gz LWIYOVVVRWFRNC-UWVGGRQHSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)c1nncn1C ZINC000037026235 171395201 /nfs/dbraw/zinc/39/52/01/171395201.db2.gz WSVYZNZWWYNPPS-CIUDSAMLSA-N 0 3 239.323 0.366 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1cnn(C)c1C ZINC000226415722 171395442 /nfs/dbraw/zinc/39/54/42/171395442.db2.gz AOZRGAOKRZGYNM-KWQFWETISA-N 0 3 238.335 0.718 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCCOC1 ZINC000040469032 171395615 /nfs/dbraw/zinc/39/56/15/171395615.db2.gz YVBVICHWVIYMEA-AXFHLTTASA-N 0 3 228.336 0.903 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1ncoc1C ZINC000125410885 171395980 /nfs/dbraw/zinc/39/59/80/171395980.db2.gz PJOQZUUDTVRWEH-XVKPBYJWSA-N 0 3 225.292 0.973 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCCN(CC)C1 ZINC000040503492 171396833 /nfs/dbraw/zinc/39/68/33/171396833.db2.gz SRCSQMGRXBSMRJ-SRVKXCTJSA-N 0 3 241.379 0.960 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)Nc1ccc(=O)n(C)c1 ZINC000037770296 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240.307 0.425 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1c(C)nn(C)c1C ZINC000662449776 412179488 /nfs/dbraw/zinc/17/94/88/412179488.db2.gz UJDUTLPBKSOIFQ-SECBINFHSA-N 0 3 224.308 0.973 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CC3(CCC3)C2)CCO1 ZINC000662458307 412181879 /nfs/dbraw/zinc/18/18/79/412181879.db2.gz JLHOQZWILCAMLV-SNVBAGLBSA-N 0 3 238.331 0.895 20 0 BCADHN CCOCCNC(=O)C1(NC2CC2)CCC1 ZINC000662467783 412184655 /nfs/dbraw/zinc/18/46/55/412184655.db2.gz FWMPUYMFCFFWAX-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000037040080 171482769 /nfs/dbraw/zinc/48/27/69/171482769.db2.gz RXERPBFNVWLKSO-ZETCQYMHSA-N 0 3 235.243 0.797 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000662507027 412198868 /nfs/dbraw/zinc/19/88/68/412198868.db2.gz GXUOTOYWWYROGF-DCAQKATOSA-N 0 3 226.320 0.622 20 0 BCADHN CC(C)NCC(=O)N1CCCC[C@H]1CC(N)=O ZINC000662506731 412199309 /nfs/dbraw/zinc/19/93/09/412199309.db2.gz FDPBAJSABODFGM-JTQLQIEISA-N 0 3 241.335 0.241 20 0 BCADHN 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CGOQKDZYXCXOIA-UHFFFAOYSA-N 0 3 231.303 1.246 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662713695 412279622 /nfs/dbraw/zinc/27/96/22/412279622.db2.gz XWIZDOOPTGKFRK-HBNTYKKESA-N 0 3 226.320 0.465 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCc2nccnc2C1 ZINC000662735654 412289265 /nfs/dbraw/zinc/28/92/65/412289265.db2.gz XCGBYUHRVLANAD-LLVKDONJSA-N 0 3 234.303 0.345 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000423211937 412282230 /nfs/dbraw/zinc/28/22/30/412282230.db2.gz ZEXCXKBNYBEVNG-OOCWMUITSA-N 0 3 238.331 0.811 20 0 BCADHN C[C@@H](O)CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665357049 412284162 /nfs/dbraw/zinc/28/41/62/412284162.db2.gz CEPKSRTYKKYZSB-ZJUUUORDSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@H](O)CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665360791 412286953 /nfs/dbraw/zinc/28/69/53/412286953.db2.gz CEPKSRTYKKYZSB-UWVGGRQHSA-N 0 3 243.351 0.539 20 0 BCADHN CCC[C@@H](O)CNC(=O)C1(NC2CC2)CCC1 ZINC000662596738 412233850 /nfs/dbraw/zinc/23/38/50/412233850.db2.gz 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0.268 20 0 BCADHN CC[C@H](NC)C(=O)N1CCN(C)C(=O)C1(C)C ZINC000662625909 412246138 /nfs/dbraw/zinc/24/61/38/412246138.db2.gz BKGFXZCRLBJJJQ-VIFPVBQESA-N 0 3 241.335 0.064 20 0 BCADHN CN1CCC(Nc2nnc(C(F)F)o2)CC1 ZINC000336759468 412246493 /nfs/dbraw/zinc/24/64/93/412246493.db2.gz JAOLQTJGNUUICW-UHFFFAOYSA-N 0 3 232.234 1.513 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCc2nccnc2C1 ZINC000662734661 412288176 /nfs/dbraw/zinc/28/81/76/412288176.db2.gz RWLOTJSAAUIQCH-NSHDSACASA-N 0 3 246.314 0.359 20 0 BCADHN CC(C)Cc1cc(NC(=O)CNC2CC2)n[nH]1 ZINC000567822337 412288234 /nfs/dbraw/zinc/28/82/34/412288234.db2.gz NHVXLBPYEJWDMN-UHFFFAOYSA-N 0 3 236.319 1.299 20 0 BCADHN CN1CCC[C@H](CNc2ccc3nncn3n2)C1 ZINC000569662696 412252503 /nfs/dbraw/zinc/25/25/03/412252503.db2.gz AEVVEJQOGRHDEH-SNVBAGLBSA-N 0 3 246.318 0.878 20 0 BCADHN CN1CCC[C@H]1CNC(=O)Nc1cccnn1 ZINC000626434689 412253074 /nfs/dbraw/zinc/25/30/74/412253074.db2.gz NRQCQNMNTWIXEW-VIFPVBQESA-N 0 3 235.291 0.692 20 0 BCADHN NC1(C(=O)NCc2c[nH]cn2)CC2(CCC2)C1 ZINC000662793767 412305301 /nfs/dbraw/zinc/30/53/01/412305301.db2.gz ZEPDRYVOYDRNMO-UHFFFAOYSA-N 0 3 234.303 0.688 20 0 BCADHN CC[C@@H](NC)C(=O)N[C@@](CC)(C(N)=O)C(C)C ZINC000662800210 412306089 /nfs/dbraw/zinc/30/60/89/412306089.db2.gz QDIVQLBLFZQPLA-BXKDBHETSA-N 0 3 243.351 0.391 20 0 BCADHN CN[C@@H](C)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000662803288 412306115 /nfs/dbraw/zinc/30/61/15/412306115.db2.gz HEHYONJCOSGZFT-LPEHRKFASA-N 0 3 214.309 0.214 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2ncccc2N)CCN1C ZINC000132825313 412309633 /nfs/dbraw/zinc/30/96/33/412309633.db2.gz XHNFXXUALJDRMQ-VHSXEESVSA-N 0 3 248.330 0.876 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)NCCOCCF)C1 ZINC000663003118 412366398 /nfs/dbraw/zinc/36/63/98/412366398.db2.gz JTMONENIKZQSHZ-UWVGGRQHSA-N 0 3 232.299 0.477 20 0 BCADHN CNc1ccc(NC(=O)C2(N)CCCC2)cn1 ZINC000449559101 412312081 /nfs/dbraw/zinc/31/20/81/412312081.db2.gz AHKYUPHEYOBVSJ-UHFFFAOYSA-N 0 3 234.303 1.333 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C2(N)CC3(CCC3)C2)CO1 ZINC000662825613 412312567 /nfs/dbraw/zinc/31/25/67/412312567.db2.gz WNYYOKYFQOMDAF-VHSXEESVSA-N 0 3 238.331 0.942 20 0 BCADHN C[C@H](N)C(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000663001428 412366443 /nfs/dbraw/zinc/36/64/43/412366443.db2.gz UQSUOIVYESFACV-MATHAZKKSA-N 0 3 236.262 0.605 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2(N)CC3(CCC3)C2)CO1 ZINC000662825611 412312879 /nfs/dbraw/zinc/31/28/79/412312879.db2.gz WNYYOKYFQOMDAF-NXEZZACHSA-N 0 3 238.331 0.942 20 0 BCADHN CNc1ccc(NC(=O)[C@H]2NCC2(C)C)cn1 ZINC000644140686 412313095 /nfs/dbraw/zinc/31/30/95/412313095.db2.gz JMPCLHXRRCKRHD-SNVBAGLBSA-N 0 3 234.303 1.060 20 0 BCADHN CNCC(=O)N1CCC[C@@H](OC)CC1 ZINC000662834129 412315324 /nfs/dbraw/zinc/31/53/24/412315324.db2.gz DSNPQDLBVRSAKR-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN CO[C@@H]1CCCN(C(=O)C2(N)CC2)CC1 ZINC000662835410 412316735 /nfs/dbraw/zinc/31/67/35/412316735.db2.gz NRUHCPPELDEADT-SECBINFHSA-N 0 3 212.293 0.505 20 0 BCADHN N[C@H](C(=O)NCCOCCF)C1CCC1 ZINC000663002647 412366548 /nfs/dbraw/zinc/36/65/48/412366548.db2.gz GEDKUFXLBVNZIO-VIFPVBQESA-N 0 3 218.272 0.216 20 0 BCADHN O=C(CN[C@@H]1CCC[C@@H]2C[C@@H]21)Nc1ccon1 ZINC000646094164 412318451 /nfs/dbraw/zinc/31/84/51/412318451.db2.gz SKXVOWFTCIKWHJ-KXUCPTDWSA-N 0 3 235.287 1.391 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](COC)C1CCOCC1 ZINC000662850452 412321621 /nfs/dbraw/zinc/32/16/21/412321621.db2.gz OMUMKZWBUCWOKO-QWRGUYRKSA-N 0 3 244.335 0.282 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H](CO)C1CCC1 ZINC000662850794 412321810 /nfs/dbraw/zinc/32/18/10/412321810.db2.gz WHUWKWWODWQEGA-ZJUUUORDSA-N 0 3 214.309 0.247 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C1CCC1 ZINC000662850255 412321920 /nfs/dbraw/zinc/32/19/20/412321920.db2.gz SHYVCWIRWBDJMZ-LSJOCFKGSA-N 0 3 228.336 0.637 20 0 BCADHN N[C@H](C(=O)N[C@@H](CO)C1CCC1)C1CCC1 ZINC000662852573 412322651 /nfs/dbraw/zinc/32/26/51/412322651.db2.gz LQFPLAHZDLELQJ-QWRGUYRKSA-N 0 3 226.320 0.391 20 0 BCADHN N[C@@H](C(=O)N[C@H](CO)C1CCC1)C1CCC1 ZINC000662852567 412322904 /nfs/dbraw/zinc/32/29/04/412322904.db2.gz LQFPLAHZDLELQJ-GHMZBOCLSA-N 0 3 226.320 0.391 20 0 BCADHN O=C(NCCCCO)c1cccc2c1CNC2 ZINC000662852479 412323009 /nfs/dbraw/zinc/32/30/09/412323009.db2.gz DXEROQJGFWYIBC-UHFFFAOYSA-N 0 3 234.299 0.792 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCCOCCF ZINC000663002682 412366789 /nfs/dbraw/zinc/36/67/89/412366789.db2.gz GWZILPNREJNOGP-BDAKNGLRSA-N 0 3 220.288 0.462 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](CO)C1CCC1 ZINC000662851276 412323347 /nfs/dbraw/zinc/32/33/47/412323347.db2.gz XVWGQOCGYNTURJ-IUCAKERBSA-N 0 3 200.282 0.001 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NC/C=C/CO ZINC000662855988 412325629 /nfs/dbraw/zinc/32/56/29/412325629.db2.gz LVARFTLILBXIIJ-WTSVBCDHSA-N 0 3 200.282 0.025 20 0 BCADHN N[C@@H](Cc1ccccc1)C(=O)NC/C=C\CO ZINC000662855379 412325729 /nfs/dbraw/zinc/32/57/29/412325729.db2.gz IAEKOGCYICJQPS-RXNFCKPNSA-N 0 3 234.299 0.221 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000662862060 412328489 /nfs/dbraw/zinc/32/84/89/412328489.db2.gz YUTOLYBTKAAPJZ-KXUCPTDWSA-N 0 3 214.309 0.526 20 0 BCADHN O=C(NCCO[C@H]1CC1(F)F)[C@H]1CCCCN1 ZINC000662861849 412328649 /nfs/dbraw/zinc/32/86/49/412328649.db2.gz VZTAETZVQRITLJ-BDAKNGLRSA-N 0 3 248.273 0.669 20 0 BCADHN CC1(CNC(=O)COC2(C)CNC2)CCC1 ZINC000219036703 412329548 /nfs/dbraw/zinc/32/95/48/412329548.db2.gz PUYPENFJCJODFL-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN CC[C@H](N)C(=O)N1CCN(CC)C(=O)[C@@H]1CC ZINC000662871903 412330854 /nfs/dbraw/zinc/33/08/54/412330854.db2.gz USAYGEOACASGHS-UWVGGRQHSA-N 0 3 241.335 0.193 20 0 BCADHN NCC(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000662877307 412332822 /nfs/dbraw/zinc/33/28/22/412332822.db2.gz IDVBGTVTBASYRZ-JTQLQIEISA-N 0 3 205.261 0.331 20 0 BCADHN CC1=CCN(CCNc2cccnn2)CC1 ZINC000393812561 412333763 /nfs/dbraw/zinc/33/37/63/412333763.db2.gz YNAAJYOOTIEQMM-UHFFFAOYSA-N 0 3 218.304 1.541 20 0 BCADHN C[C@]12COC[C@H]1CN(C(=O)C1(N)CCCC1)C2 ZINC000662879948 412334414 /nfs/dbraw/zinc/33/44/14/412334414.db2.gz HBFNSTHJXCIEBO-PWSUYJOCSA-N 0 3 238.331 0.753 20 0 BCADHN CC(F)(F)CNC(=O)[C@H](N)CC(F)F ZINC000662897380 412338278 /nfs/dbraw/zinc/33/82/78/412338278.db2.gz FVQWAZZOEFCUOV-SCSAIBSYSA-N 0 3 216.178 0.740 20 0 BCADHN CC(F)(F)CNC(=O)C(N)C(F)(F)F ZINC000662897455 412338489 /nfs/dbraw/zinc/33/84/89/412338489.db2.gz HLRCQYJHESDWJA-VKHMYHEASA-N 0 3 220.141 0.647 20 0 BCADHN COC(=O)c1cc(NC[C@H](C)N(C)C)ncn1 ZINC000603273128 412340524 /nfs/dbraw/zinc/34/05/24/412340524.db2.gz WQBYFAMEOOIFJH-QMMMGPOBSA-N 0 3 238.291 0.625 20 0 BCADHN COCCNCC(=O)NC1CC2(CCC2)C1 ZINC000662908833 412342228 /nfs/dbraw/zinc/34/22/28/412342228.db2.gz JEXLTQFFJXBRAC-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN CCN1CCC(NC(=O)[C@H](COC)OC)CC1 ZINC000665530038 412348652 /nfs/dbraw/zinc/34/86/52/412348652.db2.gz ACBLCUKFZGTWES-NSHDSACASA-N 0 3 244.335 0.248 20 0 BCADHN NCC(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000662934428 412349517 /nfs/dbraw/zinc/34/95/17/412349517.db2.gz 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/nfs/dbraw/zinc/25/40/81/173254081.db2.gz LZJHJGJHJNLKBC-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CNC(=O)CCN1CCSC[C@H]1C ZINC000306393892 173254528 /nfs/dbraw/zinc/25/45/28/173254528.db2.gz FDYXOVDJQFWGNQ-MRVPVSSYSA-N 0 3 202.323 0.560 20 0 BCADHN CNC(=O)CC[C@@H]1CCCCN1CC(=O)NC ZINC000353188725 173263580 /nfs/dbraw/zinc/26/35/80/173263580.db2.gz HKUURSSYJLANGN-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CNC(=O)CN(C)C[C@H]1CCO[C@@H](C)C1 ZINC000362964721 173267431 /nfs/dbraw/zinc/26/74/31/173267431.db2.gz WSCNRWVTCUVHJI-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN CNC(=O)CNC1Cc2ccccc2C1 ZINC000035658137 173277077 /nfs/dbraw/zinc/27/70/77/173277077.db2.gz WZLDAFVRANLYJS-UHFFFAOYSA-N 0 3 204.273 0.489 20 0 BCADHN CNC(=O)CN[C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282008914 173277795 /nfs/dbraw/zinc/27/77/95/173277795.db2.gz RBMLTZZDUKNEDU-VIFPVBQESA-N 0 3 243.310 0.971 20 0 BCADHN CNC(=O)CN[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000292956485 173277879 /nfs/dbraw/zinc/27/78/79/173277879.db2.gz 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0.552 20 0 BCADHN CNC(=O)[C@@H]1CCCN(Cc2c[nH]nc2C)C1 ZINC000093361348 173297566 /nfs/dbraw/zinc/29/75/66/173297566.db2.gz ZOORSUOGAYBJEL-SNVBAGLBSA-N 0 3 236.319 0.676 20 0 BCADHN CNC(=O)[C@@H]1CCCN(Cc2cncn2C)C1 ZINC000177067940 173298059 /nfs/dbraw/zinc/29/80/59/173298059.db2.gz ADATYJMQKDXZAD-SNVBAGLBSA-N 0 3 236.319 0.378 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@H](O)CCC(C)C ZINC000331115713 173298583 /nfs/dbraw/zinc/29/85/83/173298583.db2.gz LXAMXYZHJCJNLR-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@@H]1CCC=CO1 ZINC000193774168 173298896 /nfs/dbraw/zinc/29/88/96/173298896.db2.gz HYBMXPZDULMWGU-QWRGUYRKSA-N 0 3 224.304 0.890 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccnn1C ZINC000330563899 173299509 /nfs/dbraw/zinc/29/95/09/173299509.db2.gz KADQCOCXZZTXCI-MNOVXSKESA-N 0 3 236.319 0.424 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@H]1NCc1c[nH]cn1 ZINC000336752631 173299908 /nfs/dbraw/zinc/29/99/08/173299908.db2.gz DNQKKBFBGNZTOS-NXEZZACHSA-N 0 3 222.292 0.414 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cnc[nH]1 ZINC000336752631 173299909 /nfs/dbraw/zinc/29/99/09/173299909.db2.gz DNQKKBFBGNZTOS-NXEZZACHSA-N 0 3 222.292 0.414 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(Cc2cc(C)ncn2)C1 ZINC000292878488 173300188 /nfs/dbraw/zinc/30/01/88/173300188.db2.gz PKHOXCWZLMSIKV-ZDUSSCGKSA-N 0 3 248.330 0.743 20 0 BCADHN CNC(=O)[C@H](C)CN(C)C(=O)CN(C)C(C)C ZINC000081446331 173300844 /nfs/dbraw/zinc/30/08/44/173300844.db2.gz QRORMIGIMBFOTI-SNVBAGLBSA-N 0 3 243.351 0.167 20 0 BCADHN CNC(=O)[C@H](C)N[C@H](C)C(C)(C)n1cncn1 ZINC000291956196 173303730 /nfs/dbraw/zinc/30/37/30/173303730.db2.gz RIECWORRXNSBHE-DTWKUNHWSA-N 0 3 239.323 0.126 20 0 BCADHN CNC(=O)[C@H](C)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000332062837 173303793 /nfs/dbraw/zinc/30/37/93/173303793.db2.gz QPCBQWJNLRRAOZ-QEYWKRMJSA-N 0 3 228.336 0.770 20 0 BCADHN CNC(=O)[C@H](CCSC)N[C@@H]1CCO[C@@H]1C ZINC000309457616 173304661 /nfs/dbraw/zinc/30/46/61/173304661.db2.gz MYEGOTYCXPWUDE-BBBLOLIVSA-N 0 3 246.376 0.621 20 0 BCADHN 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ZINC000092099705 173307005 /nfs/dbraw/zinc/30/70/05/173307005.db2.gz CNCBHUQRAKPLNP-LLVKDONJSA-N 0 3 224.304 0.544 20 0 BCADHN CNC(=O)[C@H]1CCCN1C[C@@H]1CCC=CO1 ZINC000193774183 173307132 /nfs/dbraw/zinc/30/71/32/173307132.db2.gz HYBMXPZDULMWGU-WDEREUQCSA-N 0 3 224.304 0.890 20 0 BCADHN CNC(=O)[C@]1(C)CCN(Cc2n[nH]c(C)n2)C1 ZINC000332636209 173308998 /nfs/dbraw/zinc/30/89/98/173308998.db2.gz JLIYLGKUIBILAA-LLVKDONJSA-N 0 3 237.307 0.071 20 0 BCADHN CNC(=O)c1ccc(CNC(=O)C(C)(C)N)cc1 ZINC000040924991 173310416 /nfs/dbraw/zinc/31/04/16/173310416.db2.gz QBISGDVCWRLOQN-UHFFFAOYSA-N 0 3 249.314 0.400 20 0 BCADHN CNC(=O)c1ccc(NC(=O)[C@H](C)N)cc1 ZINC000035222903 173310909 /nfs/dbraw/zinc/31/09/09/173310909.db2.gz GCQOSIRTXYWIBO-ZETCQYMHSA-N 0 3 221.260 0.332 20 0 BCADHN C[NH2+]C(C)(C)CN=c1ncnc2[nH][n-]cc1-2 ZINC000336768502 173319592 /nfs/dbraw/zinc/31/95/92/173319592.db2.gz QVPHKJWBPGVUBG-UHFFFAOYSA-N 0 3 220.280 0.136 20 0 BCADHN CNCC(=O)N(C)CCOc1ccc(F)cc1 ZINC000037802169 173324466 /nfs/dbraw/zinc/32/44/66/173324466.db2.gz DZMIYEKITBZSEZ-UHFFFAOYSA-N 0 3 240.278 0.882 20 0 BCADHN CNCC(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000083916291 173327896 /nfs/dbraw/zinc/32/78/96/173327896.db2.gz LHDXXJJXOAVPAW-ZDUSSCGKSA-N 0 3 248.326 0.676 20 0 BCADHN CNCC(=O)NCCOC1CCCCC1 ZINC000082637660 173328641 /nfs/dbraw/zinc/32/86/41/173328641.db2.gz SYZHCNXXZIASMY-UHFFFAOYSA-N 0 3 214.309 0.671 20 0 BCADHN CNCC(=O)NCCc1ccccc1C ZINC000077299876 173328698 /nfs/dbraw/zinc/32/86/98/173328698.db2.gz OJKDLMFLJPWGQA-UHFFFAOYSA-N 0 3 206.289 0.873 20 0 BCADHN CNCC(=O)NCCCOCC1CC1 ZINC000035122093 173329211 /nfs/dbraw/zinc/32/92/11/173329211.db2.gz IMVZUNBHHSHHPS-UHFFFAOYSA-N 0 3 200.282 0.139 20 0 BCADHN CNCC(=O)NCCc1cccc(F)c1 ZINC000036779654 173329423 /nfs/dbraw/zinc/32/94/23/173329423.db2.gz SUMPKKSADMTBHC-UHFFFAOYSA-N 0 3 210.252 0.704 20 0 BCADHN CNCC(=O)NCc1cccc(N(C)C)c1 ZINC000082276220 173329765 /nfs/dbraw/zinc/32/97/65/173329765.db2.gz ZKOISVVNNDLDQD-UHFFFAOYSA-N 0 3 221.304 0.588 20 0 BCADHN CNCC(=O)NC[C@@H]1CCC[C@@H]1OC ZINC000261528915 173330013 /nfs/dbraw/zinc/33/00/13/173330013.db2.gz WMOJVTUVSFXANT-IUCAKERBSA-N 0 3 200.282 0.137 20 0 BCADHN CNCC(=O)NCc1cn2cccc(C)c2n1 ZINC000083909181 173330043 /nfs/dbraw/zinc/33/00/43/173330043.db2.gz IDZFDPMKWBYIES-UHFFFAOYSA-N 0 3 232.287 0.478 20 0 BCADHN CNCC(=O)NCc1ccc2c(c1)CCCN2 ZINC000295335421 173330492 /nfs/dbraw/zinc/33/04/92/173330492.db2.gz XVDBDIFGGXIVCH-UHFFFAOYSA-N 0 3 233.315 0.880 20 0 BCADHN CNCC(=O)NCc1ccccc1COC ZINC000037762909 173330595 /nfs/dbraw/zinc/33/05/95/173330595.db2.gz KYMDWVQVUMLIFK-UHFFFAOYSA-N 0 3 222.288 0.669 20 0 BCADHN CNCC(=O)NCc1cccc(OC)c1 ZINC000037488718 173331001 /nfs/dbraw/zinc/33/10/01/173331001.db2.gz GRAPXMILNJSUNO-UHFFFAOYSA-N 0 3 208.261 0.531 20 0 BCADHN CNCC(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000262614697 173331011 /nfs/dbraw/zinc/33/10/11/173331011.db2.gz KZUBPSBXVGCBHJ-JTQLQIEISA-N 0 3 226.251 0.195 20 0 BCADHN CNCC(=O)N[C@@H](COC)c1ccccc1 ZINC000178500379 173331299 /nfs/dbraw/zinc/33/12/99/173331299.db2.gz VBHKSSZSYUOQOG-NSHDSACASA-N 0 3 222.288 0.710 20 0 BCADHN CNCC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000369761050 173331322 /nfs/dbraw/zinc/33/13/22/173331322.db2.gz SPVHSRBVWGJMEG-JMJZKYOTSA-N 0 3 226.320 0.526 20 0 BCADHN CNCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000035018052 173331457 /nfs/dbraw/zinc/33/14/57/173331457.db2.gz VJSYQUHCYILAFU-CYBMUJFWSA-N 0 3 247.342 0.597 20 0 BCADHN CNCC(=O)N[C@@H]1c2cccc(F)c2O[C@H]1C ZINC000364866762 173331485 /nfs/dbraw/zinc/33/14/85/173331485.db2.gz AYZYLVKXKGKIOL-CPCISQLKSA-N 0 3 238.262 0.983 20 0 BCADHN CNCC(=O)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000226380491 173331621 /nfs/dbraw/zinc/33/16/21/173331621.db2.gz AHUPEGVSGFOUHJ-HTQZYQBOSA-N 0 3 200.282 0.136 20 0 BCADHN CNCC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000237265125 173332126 /nfs/dbraw/zinc/33/21/26/173332126.db2.gz YSRXZMKYQJYYRF-QNSHHTMESA-N 0 3 212.293 0.136 20 0 BCADHN CNCC(=O)N[C@H]1C[C@](C)(OC)C1(C)C ZINC000237274668 173332921 /nfs/dbraw/zinc/33/29/21/173332921.db2.gz UYZQWYFEGICWJQ-KWQFWETISA-N 0 3 214.309 0.526 20 0 BCADHN CNCC(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000037018966 173333512 /nfs/dbraw/zinc/33/35/12/173333512.db2.gz QNJNXRZKIXNJES-UHFFFAOYSA-N 0 3 247.298 0.737 20 0 BCADHN CNCC(=O)Nc1cccc(-c2ncon2)c1 ZINC000376696169 173333727 /nfs/dbraw/zinc/33/37/27/173333727.db2.gz UHWDEPVYCIJLGN-UHFFFAOYSA-N 0 3 232.243 0.895 20 0 BCADHN CNCC(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000077370394 173333754 /nfs/dbraw/zinc/33/37/54/173333754.db2.gz QGXBCJSNIQYMMD-UHFFFAOYSA-N 0 3 235.243 0.289 20 0 BCADHN CNCC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000016477816 173333965 /nfs/dbraw/zinc/33/39/65/173333965.db2.gz XMFGZYPNNMUKNJ-UHFFFAOYSA-N 0 3 235.287 0.546 20 0 BCADHN CNCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000037018292 173334018 /nfs/dbraw/zinc/33/40/18/173334018.db2.gz IZNSLOMTDBUCLP-SSDOTTSWSA-N 0 3 249.270 0.564 20 0 BCADHN C[NH2+]CCC[N-]S(=O)(=O)c1cnc(C)s1 ZINC000226709351 173349994 /nfs/dbraw/zinc/34/99/94/173349994.db2.gz JRROVEVVMUJHHE-UHFFFAOYSA-N 0 3 249.361 0.339 20 0 BCADHN CNCCN(C)S(=O)(=O)c1cccc(F)c1 ZINC000069801919 173353437 /nfs/dbraw/zinc/35/34/37/173353437.db2.gz WXKCAOOLZDIIEX-UHFFFAOYSA-N 0 3 246.307 0.666 20 0 BCADHN CNCCNS(=O)(=O)c1ccc(C)c(F)c1 ZINC000054244561 173356638 /nfs/dbraw/zinc/35/66/38/173356638.db2.gz PAYWGIIFUROIPS-UHFFFAOYSA-N 0 3 246.307 0.632 20 0 BCADHN CNCCNS(=O)(=O)c1ccc(F)cc1 ZINC000054244671 173357190 /nfs/dbraw/zinc/35/71/90/173357190.db2.gz OVPVGPUCEROKNY-UHFFFAOYSA-N 0 3 232.280 0.323 20 0 BCADHN CNS(=O)(=O)CCN[C@H]1CCC12CCC2 ZINC000308966132 173403870 /nfs/dbraw/zinc/40/38/70/173403870.db2.gz VTRCUHPELJEWAB-VIFPVBQESA-N 0 3 232.349 0.458 20 0 BCADHN COC(=O)C(C)(C)CCN(C)CCO ZINC000338546010 173499571 /nfs/dbraw/zinc/49/95/71/173499571.db2.gz JEXDTAGVQMVNFL-UHFFFAOYSA-N 0 3 203.282 0.500 20 0 BCADHN C[C@H]1[C@H](C)N(CCCO)CCN1CCCO ZINC000662225205 487626875 /nfs/dbraw/zinc/62/68/75/487626875.db2.gz KIFBILJMEMFVMZ-RYUDHWBXSA-N 0 3 230.352 0.146 20 0 BCADHN COC(=O)CN1CCCN(CC[C@@H](C)F)CC1 ZINC000367552091 173586338 /nfs/dbraw/zinc/58/63/38/173586338.db2.gz DGPWFHHLFAPGJE-LLVKDONJSA-N 0 3 246.326 0.915 20 0 BCADHN CCNC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000680649710 487627120 /nfs/dbraw/zinc/62/71/20/487627120.db2.gz GNGDIYBWIINCIX-JLLWLGSASA-N 0 3 238.331 0.670 20 0 BCADHN COC1CC(N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000309960692 174018402 /nfs/dbraw/zinc/01/84/02/174018402.db2.gz KYZMDQJKVHJCQL-INWMGODYSA-N 0 3 224.304 0.517 20 0 BCADHN COC1CC(N[C@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000336762073 174018890 /nfs/dbraw/zinc/01/88/90/174018890.db2.gz KYMSKTBCARUDOG-XNWIYYODSA-N 0 3 247.360 0.719 20 0 BCADHN COC1CCN(CCn2ccnc2)CC1 ZINC000270784786 174028034 /nfs/dbraw/zinc/02/80/34/174028034.db2.gz AUUQCCYPVNPCAY-UHFFFAOYSA-N 0 3 209.293 0.994 20 0 BCADHN COC1CN(C(=O)CC2CCN(C)CC2)C1 ZINC000336571786 174031642 /nfs/dbraw/zinc/03/16/42/174031642.db2.gz DFSQWPYTKAMYAH-UHFFFAOYSA-N 0 3 226.320 0.576 20 0 BCADHN COC1CN(C(=O)CN(C)C(C)C)C1 ZINC000358134765 174032501 /nfs/dbraw/zinc/03/25/01/174032501.db2.gz XMMCRVSURCKYRR-UHFFFAOYSA-N 0 3 200.282 0.184 20 0 BCADHN COCC(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000375887613 174056988 /nfs/dbraw/zinc/05/69/88/174056988.db2.gz CORNMDHWWBUDFV-STQMWFEESA-N 0 3 248.326 0.847 20 0 BCADHN COCC1(C(=O)N[C@H](C)CN(C)C)CCC1 ZINC000346152328 174089435 /nfs/dbraw/zinc/08/94/35/174089435.db2.gz HHXAZCAHHMARFW-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN COCC1(C(=O)N[C@@H](C)CN(C)C)CCC1 ZINC000346152327 174089905 /nfs/dbraw/zinc/08/99/05/174089905.db2.gz HHXAZCAHHMARFW-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN COCC1(C)CCN([C@H](C)C(N)=O)CC1 ZINC000408098252 174091820 /nfs/dbraw/zinc/09/18/20/174091820.db2.gz SLVYLVIGMSEHSM-SECBINFHSA-N 0 3 214.309 0.609 20 0 BCADHN COCC1(CN(C)[C@H]2CCN(C)C2=O)CCC1 ZINC000361313893 174096139 /nfs/dbraw/zinc/09/61/39/174096139.db2.gz PTIDBZPPGGBAOL-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN COCC1(CN2CC[C@H](NC(N)=O)C2)CCC1 ZINC000361349574 174100387 /nfs/dbraw/zinc/10/03/87/174100387.db2.gz WQEOBIOIBIPGEX-JTQLQIEISA-N 0 3 241.335 0.546 20 0 BCADHN COCC1(O)CCN(Cc2ccn(C)c2)CC1 ZINC000271159158 174110540 /nfs/dbraw/zinc/11/05/40/174110540.db2.gz CSPLMCNJUGZCQH-UHFFFAOYSA-N 0 3 238.331 0.998 20 0 BCADHN COCC1(O)CCN(Cc2cccn2C)CC1 ZINC000271181603 174110600 /nfs/dbraw/zinc/11/06/00/174110600.db2.gz LDSUNLOANANZOK-UHFFFAOYSA-N 0 3 238.331 0.998 20 0 BCADHN COCC1(O)CCN(C[C@H](C)OC)CC1 ZINC000336654260 174110924 /nfs/dbraw/zinc/11/09/24/174110924.db2.gz ZSYJEUQAOLWJHP-JTQLQIEISA-N 0 3 217.309 0.495 20 0 BCADHN COCCC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000359738115 174131459 /nfs/dbraw/zinc/13/14/59/174131459.db2.gz WNAIBWWXFPJELL-LLVKDONJSA-N 0 3 246.376 0.576 20 0 BCADHN COCC1=CCN(C[C@](C)(O)C(=O)OC)CC1 ZINC000330860083 174117099 /nfs/dbraw/zinc/11/70/99/174117099.db2.gz VSWODIDIGIQZRJ-LBPRGKRZSA-N 0 3 243.303 0.189 20 0 BCADHN COCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000112401614 174119232 /nfs/dbraw/zinc/11/92/32/174119232.db2.gz HESDKCOGGHPQJT-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN COCC1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000112412159 174120772 /nfs/dbraw/zinc/12/07/72/174120772.db2.gz CHYPGPJAOXMCPY-SNVBAGLBSA-N 0 3 228.336 0.822 20 0 BCADHN COCCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000062571557 174124719 /nfs/dbraw/zinc/12/47/19/174124719.db2.gz YKPQYMZWAJCROZ-SNVBAGLBSA-N 0 3 214.309 0.479 20 0 BCADHN COCCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000335089952 174125291 /nfs/dbraw/zinc/12/52/91/174125291.db2.gz HOJNIQIZTMEMLH-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN COCCC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000340588187 174126741 /nfs/dbraw/zinc/12/67/41/174126741.db2.gz AMIPEEWEPJDZGO-VHSXEESVSA-N 0 3 246.376 0.527 20 0 BCADHN COCCC(=O)NCc1ccc2c(c1)CNC2 ZINC000134527339 174131331 /nfs/dbraw/zinc/13/13/31/174131331.db2.gz HBGKLVPXDOQAET-UHFFFAOYSA-N 0 3 234.299 0.943 20 0 BCADHN COCCC1(CNC(=O)[C@H](C)N)CC1 ZINC000226688486 174154097 /nfs/dbraw/zinc/15/40/97/174154097.db2.gz IETSYMWXOPWBBM-QMMMGPOBSA-N 0 3 200.282 0.267 20 0 BCADHN COCCCC(=O)N(C)CCN1CCCC1 ZINC000103117306 174160263 /nfs/dbraw/zinc/16/02/63/174160263.db2.gz IDQXVHMGSAQILE-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN COCCCC(=O)N[C@H]1CCN(CCOC)C1 ZINC000340954905 174167342 /nfs/dbraw/zinc/16/73/42/174167342.db2.gz GJPGPSTZDTZLHQ-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN COCCCCCN(C)[C@H]1COC[C@@H]1O ZINC000352794430 174176363 /nfs/dbraw/zinc/17/63/63/174176363.db2.gz AXUWTCNBBSABFS-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN COCCCCN(C)[C@@H]1CCNC1=O ZINC000340219030 174187103 /nfs/dbraw/zinc/18/71/03/174187103.db2.gz KTSPWAAFTMWTCK-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN COCCCCN(C)[C@@H]1COC[C@@H]1O ZINC000352795283 174188712 /nfs/dbraw/zinc/18/87/12/174188712.db2.gz STVACFKGMRYGDI-ZJUUUORDSA-N 0 3 203.282 0.105 20 0 BCADHN COCCCCN(CCOC)[C@H](C)C(N)=O ZINC000117880908 174189314 /nfs/dbraw/zinc/18/93/14/174189314.db2.gz SDQMYSCOYWPOFK-SNVBAGLBSA-N 0 3 232.324 0.235 20 0 BCADHN COCCCCN1CCN2C(=O)CC[C@@H]2C1 ZINC000336669308 174191491 /nfs/dbraw/zinc/19/14/91/174191491.db2.gz IANFOASXHNIJGJ-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN COCCCCNC(=O)C1CCN(C)CC1 ZINC000359952139 174196573 /nfs/dbraw/zinc/19/65/73/174196573.db2.gz IWJGSYSPOACEQM-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN COCCCN(C(C)=O)C1CCN(C)CC1 ZINC000358258328 174209516 /nfs/dbraw/zinc/20/95/16/174209516.db2.gz SXTYCXKWQADULL-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN COCCCN(C)CCNC(=O)N[C@@H](C)CF ZINC000353721438 174216684 /nfs/dbraw/zinc/21/66/84/174216684.db2.gz RFWJMSVNIVYQRR-JTQLQIEISA-N 0 3 249.330 0.612 20 0 BCADHN COCCCN(C)[C@@H]1CCN(C)C1=O ZINC000116274115 174220682 /nfs/dbraw/zinc/22/06/82/174220682.db2.gz FKVBHIIGNYYSGZ-SECBINFHSA-N 0 3 200.282 0.185 20 0 BCADHN COCCCN(CCO)Cc1c[nH]nc1C ZINC000188935937 174223351 /nfs/dbraw/zinc/22/33/51/174223351.db2.gz OPYNDTIWDPAANE-UHFFFAOYSA-N 0 3 227.308 0.549 20 0 BCADHN COCCCN(CCO)CCc1ccccn1 ZINC000189908416 174223362 /nfs/dbraw/zinc/22/33/62/174223362.db2.gz RZODLSZICJLEKS-UHFFFAOYSA-N 0 3 238.331 0.955 20 0 BCADHN COCCCN1CCCN(C(=O)COC)CC1 ZINC000363648632 174228105 /nfs/dbraw/zinc/22/81/05/174228105.db2.gz NBBSZFZMIBWJCC-UHFFFAOYSA-N 0 3 244.335 0.204 20 0 BCADHN COCCCN1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355095182 174233945 /nfs/dbraw/zinc/23/39/45/174233945.db2.gz IMZBMHGSAIECTO-NSHDSACASA-N 0 3 241.335 0.559 20 0 BCADHN COCCCNC(=O)CN(C)C(C)C ZINC000302833593 174238852 /nfs/dbraw/zinc/23/88/52/174238852.db2.gz PMGZIYIOHUMGGT-UHFFFAOYSA-N 0 3 202.298 0.479 20 0 BCADHN COCCCNC(=O)CN1CC[C@H](C2CC2)C1 ZINC000362412209 174239153 /nfs/dbraw/zinc/23/91/53/174239153.db2.gz FJYOAAWFDMGQIR-LBPRGKRZSA-N 0 3 240.347 0.871 20 0 BCADHN COCCCNC(=O)NCCN(C)C1CC1 ZINC000352605634 174241844 /nfs/dbraw/zinc/24/18/44/174241844.db2.gz PZDMHISZQUGQIO-UHFFFAOYSA-N 0 3 229.324 0.416 20 0 BCADHN COCCCNC(=O)[C@@H](C)N1CC[C@@H](C)C1 ZINC000337683699 174242174 /nfs/dbraw/zinc/24/21/74/174242174.db2.gz JDGQQZZHSXCDRD-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN COCCCNCc1cc(C(N)=O)cs1 ZINC000086573570 174247623 /nfs/dbraw/zinc/24/76/23/174247623.db2.gz MAVLDSTVPTXLRX-UHFFFAOYSA-N 0 3 228.317 0.973 20 0 BCADHN COCCCNCc1ccc(C(=O)OC)[nH]1 ZINC000086329594 174248013 /nfs/dbraw/zinc/24/80/13/174248013.db2.gz MHYDHJDXZHMLFH-UHFFFAOYSA-N 0 3 226.276 0.927 20 0 BCADHN COCCN(C(=O)N[C@@H](C)CN(C)C)C1CC1 ZINC000358488200 174268753 /nfs/dbraw/zinc/26/87/53/174268753.db2.gz AGQSNUJFDBOGBJ-JTQLQIEISA-N 0 3 243.351 0.757 20 0 BCADHN COCCN(C)C(=O)[C@@H]1NCCCC1(C)C ZINC000234613444 174272087 /nfs/dbraw/zinc/27/20/87/174272087.db2.gz BUYYTONKICYQOK-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN COCCN(C)C(=O)[C@@H](CN)c1ccccc1 ZINC000061612363 174272265 /nfs/dbraw/zinc/27/22/65/174272265.db2.gz RGUKFLCULSFUNA-LBPRGKRZSA-N 0 3 236.315 0.834 20 0 BCADHN COCCN(C)CCNC(=O)C1=CCOCC1 ZINC000355545004 174275409 /nfs/dbraw/zinc/27/54/09/174275409.db2.gz JGVGQAJBKJBDSM-UHFFFAOYSA-N 0 3 242.319 0.028 20 0 BCADHN COCCN(C)CCNC(=O)c1cc[nH]c1 ZINC000068349312 174276541 /nfs/dbraw/zinc/27/65/41/174276541.db2.gz SWYAIRDXJUWAGY-UHFFFAOYSA-N 0 3 225.292 0.323 20 0 BCADHN COCCN(C)CCNC(=O)c1cccn1C ZINC000263730598 174277143 /nfs/dbraw/zinc/27/71/43/174277143.db2.gz GYCVSVZKZXDISV-UHFFFAOYSA-N 0 3 239.319 0.333 20 0 BCADHN COCCN(C)CCNC(=O)c1cc(C)n[nH]1 ZINC000171127399 174277260 /nfs/dbraw/zinc/27/72/60/174277260.db2.gz JXJMMAOKDRJIRF-UHFFFAOYSA-N 0 3 240.307 0.026 20 0 BCADHN COCCN(C)CCNC(=O)C[C@H]1C[C@H]1C ZINC000354070685 174277379 /nfs/dbraw/zinc/27/73/79/174277379.db2.gz YWUUYPMVEUXMDP-GHMZBOCLSA-N 0 3 228.336 0.727 20 0 BCADHN COCCN(C)CCNC(=O)c1ccco1 ZINC000112260185 174277652 /nfs/dbraw/zinc/27/76/52/174277652.db2.gz RFWFBWNNHKSGAT-UHFFFAOYSA-N 0 3 226.276 0.588 20 0 BCADHN COCCN(C)CCNC(=O)c1coc(C)c1 ZINC000189538014 174277762 /nfs/dbraw/zinc/27/77/62/174277762.db2.gz CNVNVUFMHWCKBT-UHFFFAOYSA-N 0 3 240.303 0.896 20 0 BCADHN COCCN(C)CCNC(=O)c1ccn(C)c1 ZINC000268660546 174277841 /nfs/dbraw/zinc/27/78/41/174277841.db2.gz WYFFVHRWDHHFPN-UHFFFAOYSA-N 0 3 239.319 0.333 20 0 BCADHN COCCN(C)CCNCc1ccnn1C ZINC000061376501 174277866 /nfs/dbraw/zinc/27/78/66/174277866.db2.gz LCNJYJDUNLLVIP-UHFFFAOYSA-N 0 3 226.324 0.088 20 0 BCADHN COCCN(C)CCNc1ncc(F)cn1 ZINC000158624929 174279199 /nfs/dbraw/zinc/27/91/99/174279199.db2.gz RFNOYIXLMKFJRF-UHFFFAOYSA-N 0 3 228.271 0.606 20 0 BCADHN COCCN(CCN(C)C)Cc1n[nH]cc1C ZINC000291588870 174292190 /nfs/dbraw/zinc/29/21/90/174292190.db2.gz PQURJYUXTGEQRJ-UHFFFAOYSA-N 0 3 240.351 0.728 20 0 BCADHN COCCN(CCO)CCC(=O)OC(C)(C)C ZINC000104958541 174292935 /nfs/dbraw/zinc/29/29/35/174292935.db2.gz ANMFFIGFLYTVCR-UHFFFAOYSA-N 0 3 247.335 0.659 20 0 BCADHN COCCN(CCO)CCCc1ccncc1 ZINC000360453823 174293511 /nfs/dbraw/zinc/29/35/11/174293511.db2.gz GUAZBPIDRCNAQD-UHFFFAOYSA-N 0 3 238.331 0.955 20 0 BCADHN COCCN(CCO)C[C@H]1CCCCO1 ZINC000122643627 174293666 /nfs/dbraw/zinc/29/36/66/174293666.db2.gz FXGFOIOTSCCYDE-LLVKDONJSA-N 0 3 217.309 0.496 20 0 BCADHN COCCN(CCOC)C(=O)[C@@H](N)C(C)(C)C ZINC000040461777 174295495 /nfs/dbraw/zinc/29/54/95/174295495.db2.gz SLTDQZHIHOTTLJ-SNVBAGLBSA-N 0 3 246.351 0.481 20 0 BCADHN COCCN(CCOC)C[C@@H]1CCCO1 ZINC000127919786 174296113 /nfs/dbraw/zinc/29/61/13/174296113.db2.gz DVWROSXMUGXITL-NSHDSACASA-N 0 3 217.309 0.760 20 0 BCADHN COCCN(CCOC)C[C@H](O)C(C)(C)C ZINC000044176843 174296622 /nfs/dbraw/zinc/29/66/22/174296622.db2.gz QRSCDSOYWWZGCT-NSHDSACASA-N 0 3 233.352 0.988 20 0 BCADHN COCCN(CCn1ccnc1)C1CC1 ZINC000336643900 174297548 /nfs/dbraw/zinc/29/75/48/174297548.db2.gz FAXUBSQDGIPMIX-UHFFFAOYSA-N 0 3 209.293 0.994 20 0 BCADHN COCCN1CCC(n2cncn2)CC1 ZINC000336653810 174305392 /nfs/dbraw/zinc/30/53/92/174305392.db2.gz YQJGLLRAMYQDSA-UHFFFAOYSA-N 0 3 210.281 0.561 20 0 BCADHN COCCN1CCC(Oc2cnccn2)CC1 ZINC000369670584 174305595 /nfs/dbraw/zinc/30/55/95/174305595.db2.gz OJWKNRNBBOPYQS-UHFFFAOYSA-N 0 3 237.303 0.966 20 0 BCADHN COCCN1CCC[C@H]1CNCc1ncc[nH]1 ZINC000066593744 174307777 /nfs/dbraw/zinc/30/77/77/174307777.db2.gz ZBMXKALKADBGMN-NSHDSACASA-N 0 3 238.335 0.610 20 0 BCADHN COCCN1CCN(C)C[C@H]1C(C)C ZINC000336675885 174308296 /nfs/dbraw/zinc/30/82/96/174308296.db2.gz WHUUCVZFMRFERD-NSHDSACASA-N 0 3 200.326 0.905 20 0 BCADHN COCCN1CCC[C@H](n2cc(CO)nn2)C1 ZINC000339413649 174308324 /nfs/dbraw/zinc/30/83/24/174308324.db2.gz YMPGDYNETXKNGX-NSHDSACASA-N 0 3 240.307 0.054 20 0 BCADHN COCCN1CCN(Cc2[nH]ncc2C)CC1 ZINC000340563851 174309521 /nfs/dbraw/zinc/30/95/21/174309521.db2.gz MGCRSKJWSIGLOW-UHFFFAOYSA-N 0 3 238.335 0.482 20 0 BCADHN COCCN1CC[C@@H](N2CCCC2=O)C1 ZINC000336647648 174311342 /nfs/dbraw/zinc/31/13/42/174311342.db2.gz MRRAIEWCAMWGIP-SNVBAGLBSA-N 0 3 212.293 0.330 20 0 BCADHN COCCN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000369723182 174312756 /nfs/dbraw/zinc/31/27/56/174312756.db2.gz VRAAJMAXGHTZRJ-BDAKNGLRSA-N 0 3 214.265 0.063 20 0 BCADHN COCCN1CC[C@@H](NCc2ccccn2)C1 ZINC000264600386 174313916 /nfs/dbraw/zinc/31/39/16/174313916.db2.gz NGVXUJASUPTTJY-CYBMUJFWSA-N 0 3 235.331 0.892 20 0 BCADHN COCCN1CC[C@H](NC(=O)CCSC)C1 ZINC000340999932 174315090 /nfs/dbraw/zinc/31/50/90/174315090.db2.gz XPABAAZFHLRHHD-JTQLQIEISA-N 0 3 246.376 0.576 20 0 BCADHN COCCN1CC[C@H](NC(=O)C2CC2)C1 ZINC000340954926 174315260 /nfs/dbraw/zinc/31/52/60/174315260.db2.gz GKIFBQOUPOUABN-JTQLQIEISA-N 0 3 212.293 0.233 20 0 BCADHN COCCN1CC[C@H](NCc2ccn(C)n2)C1 ZINC000336893191 174315314 /nfs/dbraw/zinc/31/53/14/174315314.db2.gz KJYJKNGCDKBVEU-LBPRGKRZSA-N 0 3 238.335 0.230 20 0 BCADHN COCCN1CC[C@H](Nc2nccc(C)n2)C1 ZINC000265447848 174316011 /nfs/dbraw/zinc/31/60/11/174316011.db2.gz AAQABBRKUSYLLI-NSHDSACASA-N 0 3 236.319 0.918 20 0 BCADHN COCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000370223750 174318984 /nfs/dbraw/zinc/31/89/84/174318984.db2.gz VMHJZEZBHRAGQZ-GUBZILKMSA-N 0 3 212.293 0.219 20 0 BCADHN COCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173927854 174323002 /nfs/dbraw/zinc/32/30/02/174323002.db2.gz CHRMVDIUGQJKNX-LLVKDONJSA-N 0 3 239.319 0.289 20 0 BCADHN COCCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000336592798 174323017 /nfs/dbraw/zinc/32/30/17/174323017.db2.gz ZMQGZOBVKSBFOA-GHMZBOCLSA-N 0 3 241.335 0.368 20 0 BCADHN COCCNC(=O)c1ccc2c(c1)CNC2 ZINC000058084417 174328675 /nfs/dbraw/zinc/32/86/75/174328675.db2.gz IYPZQPNNJPWZIH-UHFFFAOYSA-N 0 3 220.272 0.666 20 0 BCADHN COCCNCC(=O)NCC1(C)CCC1 ZINC000226372637 174331229 /nfs/dbraw/zinc/33/12/29/174331229.db2.gz UUDTYCBZPWDLDE-UHFFFAOYSA-N 0 3 214.309 0.529 20 0 BCADHN COCCNCC(=O)N1CC[C@@H](C)[C@@H]1C ZINC000237152946 174331468 /nfs/dbraw/zinc/33/14/68/174331468.db2.gz BQVJQARTPPYZRV-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN COCCNCCNC(=O)/C=C/c1cccnc1 ZINC000237313650 174332939 /nfs/dbraw/zinc/33/29/39/174332939.db2.gz FYCLCTUUDGODAB-SNAWJCMRSA-N 0 3 249.314 0.447 20 0 BCADHN COCCNCCNC(=O)c1ccccc1F ZINC000212720075 174332982 /nfs/dbraw/zinc/33/29/82/174332982.db2.gz MNSMUPLLTFVGBW-UHFFFAOYSA-N 0 3 240.278 0.792 20 0 BCADHN COCCNCCNC(=O)c1ccncc1F ZINC000212742770 174333135 /nfs/dbraw/zinc/33/31/35/174333135.db2.gz WJNSOBGKDYBMPQ-UHFFFAOYSA-N 0 3 241.266 0.187 20 0 BCADHN COCCNCCNC(=O)c1ncccc1C ZINC000212821692 174333579 /nfs/dbraw/zinc/33/35/79/174333579.db2.gz OJJLQWANQDUODY-UHFFFAOYSA-N 0 3 237.303 0.356 20 0 BCADHN COCCNCc1ccc(S(C)(=O)=O)cc1 ZINC000044353003 174336379 /nfs/dbraw/zinc/33/63/79/174336379.db2.gz FHGACJCMEIHWEI-UHFFFAOYSA-N 0 3 243.328 0.826 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)C[C@@H]1CSCCN1 ZINC000227209401 487628271 /nfs/dbraw/zinc/62/82/71/487628271.db2.gz QNUSRLAXUVSIRV-OPRDCNLKSA-N 0 3 228.361 0.996 20 0 BCADHN COCCN[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000019881608 174340147 /nfs/dbraw/zinc/34/01/47/174340147.db2.gz OWEKLSLUIVGFGM-SNVBAGLBSA-N 0 3 247.302 0.959 20 0 BCADHN COCCOCCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000356388553 174347982 /nfs/dbraw/zinc/34/79/82/174347982.db2.gz NZUDKZVKPCSFLO-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN COCCOCCC(=O)N(C)CCN(C)C ZINC000358537426 174348000 /nfs/dbraw/zinc/34/80/00/174348000.db2.gz BHQMRBFVRINAHB-UHFFFAOYSA-N 0 3 232.324 0.060 20 0 BCADHN COCCOCCCNC(=O)[C@H](N)C(C)C ZINC000040829895 174350059 /nfs/dbraw/zinc/35/00/59/174350059.db2.gz IQQOEVZDWOPBRN-SNVBAGLBSA-N 0 3 232.324 0.139 20 0 BCADHN COCCOCCCNC(=O)[C@@H](N)CC(C)C ZINC000040829892 174350064 /nfs/dbraw/zinc/35/00/64/174350064.db2.gz VBLQIKVCTXNMDC-NSHDSACASA-N 0 3 246.351 0.529 20 0 BCADHN COCCOCCN(C)C(=O)/C=C/CN(C)C ZINC000291949928 174350328 /nfs/dbraw/zinc/35/03/28/174350328.db2.gz QPWFCTGZJNLOCJ-AATRIKPKSA-N 0 3 244.335 0.226 20 0 BCADHN COCCOCCCNCc1cn(C)nc1C ZINC000125943649 174350597 /nfs/dbraw/zinc/35/05/97/174350597.db2.gz DCJDJEATHFNXMQ-UHFFFAOYSA-N 0 3 241.335 0.871 20 0 BCADHN COCCOCCN(C)CCn1ccnc1 ZINC000288777728 174351704 /nfs/dbraw/zinc/35/17/04/174351704.db2.gz IZGFJFAEUFNMCD-UHFFFAOYSA-N 0 3 227.308 0.478 20 0 BCADHN COCCOCCN(C)C1CC(O)C1 ZINC000353471575 174352205 /nfs/dbraw/zinc/35/22/05/174352205.db2.gz SFCRUYBTGRSBIJ-UHFFFAOYSA-N 0 3 203.282 0.105 20 0 BCADHN COCCOCCN1CCOCC[C@H]1C ZINC000362472771 174353153 /nfs/dbraw/zinc/35/31/53/174353153.db2.gz KPVGQADSACJSCI-LLVKDONJSA-N 0 3 217.309 0.760 20 0 BCADHN COCCOCCN1CC[C@@](C)(O)C1 ZINC000308435431 174355720 /nfs/dbraw/zinc/35/57/20/174355720.db2.gz MKCZQBJQHKMLCA-SNVBAGLBSA-N 0 3 203.282 0.106 20 0 BCADHN COCCOCCN[C@@H](C)c1cnn(C)c1 ZINC000044694549 174358602 /nfs/dbraw/zinc/35/86/02/174358602.db2.gz PIAINSGLXRDKDX-JTQLQIEISA-N 0 3 227.308 0.734 20 0 BCADHN COCCOC[C@@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000353724798 174361503 /nfs/dbraw/zinc/36/15/03/174361503.db2.gz NGJXJMTVJJIOFS-MNOVXSKESA-N 0 3 246.351 0.528 20 0 BCADHN COCCO[C@@H]1CCN(CCC[C@@H](C)O)C1 ZINC000355282278 174365580 /nfs/dbraw/zinc/36/55/80/174365580.db2.gz RNLQLWXVBADNMR-VXGBXAGGSA-N 0 3 231.336 0.885 20 0 BCADHN COCCSCCCN(C)[C@H]1COC[C@@H]1O ZINC000352814199 174374001 /nfs/dbraw/zinc/37/40/01/174374001.db2.gz GQZJCXABWVFXNN-QWRGUYRKSA-N 0 3 249.376 0.448 20 0 BCADHN COCC[C@@H](C)NC(=O)C(N)C(F)(F)F ZINC000309456604 174381206 /nfs/dbraw/zinc/38/12/06/174381206.db2.gz NVAFWXRFUILMDV-RITPCOANSA-N 0 3 228.214 0.417 20 0 BCADHN COCC[C@@H](CO)NCc1cccc(OC)n1 ZINC000282339548 174388927 /nfs/dbraw/zinc/38/89/27/174388927.db2.gz UWXRLECVDYXIEF-NSHDSACASA-N 0 3 240.303 0.577 20 0 BCADHN COCC[C@@H](CO)NCc1cncn1C(C)C ZINC000305952634 174389509 /nfs/dbraw/zinc/38/95/09/174389509.db2.gz UZNXPIYGZVSGKM-NSHDSACASA-N 0 3 241.335 0.951 20 0 BCADHN COCC[C@@H](CO)N[C@H](C)c1cn(C)nc1C ZINC000281668534 174389790 /nfs/dbraw/zinc/38/97/90/174389790.db2.gz QTBISHBKURZRLL-KOLCDFICSA-N 0 3 241.335 0.777 20 0 BCADHN COCC[C@@H](CO)NCc1scnc1C ZINC000282317561 174390372 /nfs/dbraw/zinc/39/03/72/174390372.db2.gz SSMKCMDQAWDINR-VIFPVBQESA-N 0 3 230.333 0.939 20 0 BCADHN COCC[C@@H](CO)N[C@H]1CCCc2n[nH]cc21 ZINC000375838601 174390435 /nfs/dbraw/zinc/39/04/35/174390435.db2.gz JWAQMHZETOSNGV-ONGXEEELSA-N 0 3 239.319 0.774 20 0 BCADHN COC[C@@H](CO)N[C@@H](C)CC(=O)OC(C)(C)C ZINC000353625932 174476629 /nfs/dbraw/zinc/47/66/29/174476629.db2.gz HOOBLAOFBGTWPK-VHSXEESVSA-N 0 3 247.335 0.704 20 0 BCADHN COC[C@@H]1CCN1C[C@@H](O)CSC ZINC000339283494 174513672 /nfs/dbraw/zinc/51/36/72/174513672.db2.gz CGNOSEFWKOFRAC-DTWKUNHWSA-N 0 3 205.323 0.431 20 0 BCADHN COC[C@H](C)N1C[C@H](OC)[C@@H](OC)C1 ZINC000336682639 174540699 /nfs/dbraw/zinc/54/06/99/174540699.db2.gz ILNDAGKJAUDNBF-GUBZILKMSA-N 0 3 203.282 0.367 20 0 BCADHN COC[C@H](NC[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000336767615 174581893 /nfs/dbraw/zinc/58/18/93/174581893.db2.gz PUWBGYNPQOMXCP-WOPDTQHZSA-N 0 3 229.320 0.949 20 0 BCADHN CO[C@@H]1[C@H](C)[C@H](NCC(N)=O)C1(C)C ZINC000308567023 174784480 /nfs/dbraw/zinc/78/44/80/174784480.db2.gz BAMFCHDWFQLSRZ-BWVDBABLSA-N 0 3 200.282 0.121 20 0 BCADHN CO[C@H](C(=O)NCCOCCN(C)C)C(C)C ZINC000353537538 174799735 /nfs/dbraw/zinc/79/97/35/174799735.db2.gz SFBRNSKGGPALLD-NSHDSACASA-N 0 3 246.351 0.352 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc2nccnc2c1 ZINC000227360939 174859405 /nfs/dbraw/zinc/85/94/05/174859405.db2.gz HZKTXOKJQZNEOW-LLVKDONJSA-N 0 3 246.270 0.542 20 0 BCADHN COc1cc2c(cc1CN[C@H](C)CO)OCO2 ZINC000341257464 175021546 /nfs/dbraw/zinc/02/15/46/175021546.db2.gz GWPXUCVKIDDISE-MRVPVSSYSA-N 0 3 239.271 0.894 20 0 BCADHN COc1ccc(C(=O)NC[C@@H](C)N(C)C)nn1 ZINC000265687656 175060174 /nfs/dbraw/zinc/06/01/74/175060174.db2.gz XPRSZJCLLCDVJU-MRVPVSSYSA-N 0 3 238.291 0.165 20 0 BCADHN COc1ccc(C(=O)NC[C@@H]2CCN(C)C2)nc1 ZINC000360023603 175060387 /nfs/dbraw/zinc/06/03/87/175060387.db2.gz KAMBIGIHCAJJJV-JTQLQIEISA-N 0 3 249.314 0.772 20 0 BCADHN COc1ccc(CN(CCO)CCO)cc1 ZINC000038254385 175097757 /nfs/dbraw/zinc/09/77/57/175097757.db2.gz BRKVKGWERTXEKT-UHFFFAOYSA-N 0 3 225.288 0.482 20 0 BCADHN COc1ccc(CN[C@@H](C)[C@H]2CCOC2)nn1 ZINC000283324955 175109377 /nfs/dbraw/zinc/10/93/77/175109377.db2.gz ZVUCGDNWEJJATF-UWVGGRQHSA-N 0 3 237.303 1.000 20 0 BCADHN COc1ccc(CN[C@@H]2CCOC2)cn1 ZINC000070964963 175109926 /nfs/dbraw/zinc/10/99/26/175109926.db2.gz ZYTMCQYCGMICPC-SNVBAGLBSA-N 0 3 208.261 0.969 20 0 BCADHN COc1ccc(CN[C@H]2CCN(C(C)=O)C2)cn1 ZINC000331213679 175112428 /nfs/dbraw/zinc/11/24/28/175112428.db2.gz AKHVEEKIKJEMLH-LBPRGKRZSA-N 0 3 249.314 0.801 20 0 BCADHN COc1ccc(NC(=O)[C@@H](C)N)cc1OC ZINC000019486605 175144306 /nfs/dbraw/zinc/14/43/06/175144306.db2.gz RXZTXAWZHWLUAN-SSDOTTSWSA-N 0 3 224.260 0.990 20 0 BCADHN COc1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000050456503 175145844 /nfs/dbraw/zinc/14/58/44/175145844.db2.gz NPBIPLCQCUOQJM-ZJUUUORDSA-N 0 3 206.245 0.981 20 0 BCADHN COc1ccc([O-])c(C(=O)NCC[NH3+])c1 ZINC000044418992 175158195 /nfs/dbraw/zinc/15/81/95/175158195.db2.gz ZGURSXWGYLLLNM-UHFFFAOYSA-N 0 3 210.233 0.089 20 0 BCADHN COc1ccc2c(c1)C[C@H](NCCO)CO2 ZINC000295992104 175211450 /nfs/dbraw/zinc/21/14/50/175211450.db2.gz NTXQCHCESPJDQW-JTQLQIEISA-N 0 3 223.272 0.581 20 0 BCADHN COc1cccc(CCNC(=O)C2(N)CC2)c1 ZINC000083360950 175251791 /nfs/dbraw/zinc/25/17/91/175251791.db2.gz YWYTVDPIPUBNFL-UHFFFAOYSA-N 0 3 234.299 0.845 20 0 BCADHN COc1cccc(CNC(=O)C2(N)CC2)c1 ZINC000083350433 175261753 /nfs/dbraw/zinc/26/17/53/175261753.db2.gz FEOWPVYWGZSSBQ-UHFFFAOYSA-N 0 3 220.272 0.803 20 0 BCADHN COc1cccc(NC(=O)[C@@H]2C[C@H](O)CN2)c1 ZINC000020434411 175277640 /nfs/dbraw/zinc/27/76/40/175277640.db2.gz YDHSNGZHTUPXRM-ONGXEEELSA-N 0 3 236.271 0.357 20 0 BCADHN COc1cccc([C@H](C)N2C[C@@H](O)[C@H](O)C2)c1 ZINC000331282115 175292611 /nfs/dbraw/zinc/29/26/11/175292611.db2.gz CZWHFOOOMGKLRA-ZWKOPEQDSA-N 0 3 237.299 0.794 20 0 BCADHN COc1ccccc1C1(CNC(=O)CN)CC1 ZINC000082254649 175320987 /nfs/dbraw/zinc/32/09/87/175320987.db2.gz WNIIOWCUMMFVPZ-UHFFFAOYSA-N 0 3 234.299 0.802 20 0 BCADHN COc1ccccc1CCNC(=O)C1(N)CC1 ZINC000083360959 175323383 /nfs/dbraw/zinc/32/33/83/175323383.db2.gz IYQAWADBVOPVND-UHFFFAOYSA-N 0 3 234.299 0.845 20 0 BCADHN COc1ccccc1CNC(=O)C1(N)CC1 ZINC000083350436 175328879 /nfs/dbraw/zinc/32/88/79/175328879.db2.gz DGMKCBYAMYEASS-UHFFFAOYSA-N 0 3 220.272 0.803 20 0 BCADHN COc1ccccc1[C@@H]1CCN(C(=O)CN)C1 ZINC000077368791 175349072 /nfs/dbraw/zinc/34/90/72/175349072.db2.gz GUHWQWOLLPENNI-SNVBAGLBSA-N 0 3 234.299 0.970 20 0 BCADHN COc1ccccc1[C@H](O)CNC(=O)[C@H](C)N ZINC000154302062 175354393 /nfs/dbraw/zinc/35/43/93/175354393.db2.gz NTUZTRWBYJHOFT-WCBMZHEXSA-N 0 3 238.287 0.192 20 0 BCADHN COc1ccnc(NC[C@H]2CCCN2C)n1 ZINC000221257471 175366036 /nfs/dbraw/zinc/36/60/36/175366036.db2.gz NODNEZJNZGUOFB-SECBINFHSA-N 0 3 222.292 0.991 20 0 BCADHN COc1ccnc(NC[C@H]2CCN(C)C2)n1 ZINC000162384826 175366067 /nfs/dbraw/zinc/36/60/67/175366067.db2.gz RHTCLZLYAHFCCV-SECBINFHSA-N 0 3 222.292 0.849 20 0 BCADHN COc1ccncc1CN1CC[C@](C)(C(N)=O)C1 ZINC000287975946 175370472 /nfs/dbraw/zinc/37/04/72/175370472.db2.gz ZSBUVLWBROBMAA-ZDUSSCGKSA-N 0 3 249.314 0.788 20 0 BCADHN COc1cnc(C(=O)N[C@@H](C)CN(C)C)nc1 ZINC000354581154 175381513 /nfs/dbraw/zinc/38/15/13/175381513.db2.gz RWZHVOGPXRZYLZ-QMMMGPOBSA-N 0 3 238.291 0.165 20 0 BCADHN COc1cncc(C(=O)N[C@@H](C)CN(C)C)n1 ZINC000287184864 175383343 /nfs/dbraw/zinc/38/33/43/175383343.db2.gz LVBDZLXNQCZZLA-QMMMGPOBSA-N 0 3 238.291 0.165 20 0 BCADHN COc1nc(C)cc(N2CCCN(C)CC2)n1 ZINC000354515088 175390446 /nfs/dbraw/zinc/39/04/46/175390446.db2.gz XFXVMVQZCSGITM-UHFFFAOYSA-N 0 3 236.319 0.936 20 0 BCADHN COc1ncc(CN[C@H](CO)C(C)C)c(C)n1 ZINC000337180666 175398931 /nfs/dbraw/zinc/39/89/31/175398931.db2.gz AOPBCTZEBPLUDM-LLVKDONJSA-N 0 3 239.319 0.900 20 0 BCADHN CSCC[C@@H](N)C(=O)N1CCSCC1 ZINC000077558678 175503086 /nfs/dbraw/zinc/50/30/86/175503086.db2.gz RZQHVKULFPKSSU-MRVPVSSYSA-N 0 3 234.390 0.642 20 0 BCADHN CS[C@H]1CN(c2ncccn2)C[C@@H]1N(C)C ZINC000270923920 175570756 /nfs/dbraw/zinc/57/07/56/175570756.db2.gz BHKGNUBOTMIBOK-UWVGGRQHSA-N 0 3 238.360 0.958 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)c1nccs1 ZINC000049103290 175600261 /nfs/dbraw/zinc/60/02/61/175600261.db2.gz DHLAQIGYSGWMSN-LURJTMIESA-N 0 3 248.329 0.394 20 0 BCADHN C[C@@H](C(=O)Nc1cccc(CN)c1)n1cncn1 ZINC000022213969 175620719 /nfs/dbraw/zinc/62/07/19/175620719.db2.gz RNHHFDMMIFRWRV-VIFPVBQESA-N 0 3 245.286 0.937 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCOCC1CC1 ZINC000346285293 175696223 /nfs/dbraw/zinc/69/62/23/175696223.db2.gz YJMHEZDRGBUXRA-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C[C@@H]1CCOC1 ZINC000346171479 175696828 /nfs/dbraw/zinc/69/68/28/175696828.db2.gz WSNIRWDSAYASIF-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2csnn2)C1 ZINC000674830579 487631508 /nfs/dbraw/zinc/63/15/08/487631508.db2.gz YVWOOTNVEMFALS-HTQZYQBOSA-N 0 3 240.332 0.608 20 0 BCADHN C[C@@H](CNC(=O)Cc1cc[nH]n1)N(C)C1CC1 ZINC000175965277 175725017 /nfs/dbraw/zinc/72/50/17/175725017.db2.gz KUXOWBJMRWPDDF-VIFPVBQESA-N 0 3 236.319 0.551 20 0 BCADHN C[C@@H](CNc1nccn2cnnc12)N(C)C ZINC000070616530 175740441 /nfs/dbraw/zinc/74/04/41/175740441.db2.gz NBHMPZYPTAQTEZ-QMMMGPOBSA-N 0 3 220.280 0.486 20 0 BCADHN C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)CN ZINC000237495679 175766754 /nfs/dbraw/zinc/76/67/54/175766754.db2.gz KYCHJFHIWDZBDY-GXSJLCMTSA-N 0 3 222.288 0.574 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H](O)c1cccc(F)c1 ZINC000155903166 175797634 /nfs/dbraw/zinc/79/76/34/175797634.db2.gz REFIUTMDRFNZBN-XCBNKYQSSA-N 0 3 226.251 0.323 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc(N(C)C)cn1 ZINC000031962323 175800398 /nfs/dbraw/zinc/80/03/98/175800398.db2.gz FVSATCZXODGQRB-SSDOTTSWSA-N 0 3 208.265 0.433 20 0 BCADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)c1ccccc1 ZINC000183360489 176022797 /nfs/dbraw/zinc/02/27/97/176022797.db2.gz BHZJLHJZEXSEDQ-NXEZZACHSA-N 0 3 249.314 0.963 20 0 BCADHN C[C@@H]1CC(=O)NCCN1CC1=CCCOC1 ZINC000367671447 176049217 /nfs/dbraw/zinc/04/92/17/176049217.db2.gz PISLCSUPDYJAJL-SNVBAGLBSA-N 0 3 224.304 0.544 20 0 BCADHN C[C@@H]1CCCCN1C(=O)C1(N)CCOCC1 ZINC000149627275 176066380 /nfs/dbraw/zinc/06/63/80/176066380.db2.gz WKTNVFYKYHOYPI-SNVBAGLBSA-N 0 3 226.320 0.895 20 0 BCADHN C[C@@H]1CCCCN1CCNC(=O)C1(N)CC1 ZINC000237677304 176070829 /nfs/dbraw/zinc/07/08/29/176070829.db2.gz UQVTYVMGWLAOJI-SNVBAGLBSA-N 0 3 225.336 0.468 20 0 BCADHN C[C@H](CNS(N)(=O)=O)N1CCCC[C@H]1C ZINC000341578171 176075459 /nfs/dbraw/zinc/07/54/59/176075459.db2.gz DGLYAYDNHMZTHN-RKDXNWHRSA-N 0 3 235.353 0.042 20 0 BCADHN CCCN1CC[C@H](NCc2ccn(C)n2)C1 ZINC000328231646 487632643 /nfs/dbraw/zinc/63/26/43/487632643.db2.gz DSYBTUHODNCLLP-LBPRGKRZSA-N 0 3 222.336 0.994 20 0 BCADHN C[C@@H]1CCCN(CC(=O)N(C)C)[C@@H]1CO ZINC000305164631 176096282 /nfs/dbraw/zinc/09/62/82/176096282.db2.gz GYOFUIVFDNPUFG-NXEZZACHSA-N 0 3 214.309 0.167 20 0 BCADHN C[C@@H]1CCCN(CC(=O)N(C)C2CC2)[C@H]1CO ZINC000305184823 176096651 /nfs/dbraw/zinc/09/66/51/176096651.db2.gz PAOFTWMHLNUMPO-PWSUYJOCSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)c2ccncn2)C1 ZINC000275124252 176098091 /nfs/dbraw/zinc/09/80/91/176098091.db2.gz JMISAWBCBJDIRD-LLVKDONJSA-N 0 3 248.330 0.938 20 0 BCADHN C[C@@H]1CCCN1Cc1cc(=O)n(C)c(=O)n1C ZINC000174412144 176109202 /nfs/dbraw/zinc/10/92/02/176109202.db2.gz YPNPEDIRAIFXNG-SECBINFHSA-N 0 3 237.303 0.068 20 0 BCADHN C[C@@H]1CCC[C@@H](CO)N1CCN1CCNC1=O ZINC000336718743 176119493 /nfs/dbraw/zinc/11/94/93/176119493.db2.gz RCFZRQCZRVBGDU-MNOVXSKESA-N 0 3 241.335 0.247 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2)[C@@H]1C ZINC000188669901 176161162 /nfs/dbraw/zinc/16/11/62/176161162.db2.gz HFWHKEBRSJPYQA-DOLQZWNJSA-N 0 3 214.284 0.943 20 0 BCADHN C[C@@H]1CCN(Cc2ccnc(N)c2)[C@@H]1CO ZINC000227204341 176178396 /nfs/dbraw/zinc/17/83/96/176178396.db2.gz RJPMBXMQSDRFSN-MWLCHTKSSA-N 0 3 221.304 0.867 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCCC1(O)CC1 ZINC000309103349 176183482 /nfs/dbraw/zinc/18/34/82/176183482.db2.gz GWLVQIAYDWRCCX-RKDXNWHRSA-N 0 3 212.293 0.016 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NCCn2ccnc2)C1 ZINC000126989705 176187384 /nfs/dbraw/zinc/18/73/84/176187384.db2.gz XZGMNAJQYLHFRK-MNOVXSKESA-N 0 3 236.319 0.387 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCNC1=O ZINC000123010455 176198841 /nfs/dbraw/zinc/19/88/41/176198841.db2.gz HYXHFQNYKSMLGQ-RKDXNWHRSA-N 0 3 225.292 0.411 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1c[nH]cn1 ZINC000331274814 176199125 /nfs/dbraw/zinc/19/91/25/176199125.db2.gz DNTKDTFVMSUNJI-NXEZZACHSA-N 0 3 236.319 0.899 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cnc[nH]1 ZINC000331274814 176199126 /nfs/dbraw/zinc/19/91/26/176199126.db2.gz DNTKDTFVMSUNJI-NXEZZACHSA-N 0 3 236.319 0.899 20 0 BCADHN C[C@H](C(=O)N1CC(C)(O)C1)N1[C@H](C)CC[C@H]1C ZINC000338609568 176200535 /nfs/dbraw/zinc/20/05/35/176200535.db2.gz NYFUIIRWEGPRSX-GMTAPVOTSA-N 0 3 240.347 0.841 20 0 BCADHN C[C@@H]1CC[C@@H](N(CCO)CC(=O)NC(N)=O)C1 ZINC000331166483 176207580 /nfs/dbraw/zinc/20/75/80/176207580.db2.gz GXIUETVUVMKVEW-RKDXNWHRSA-N 0 3 243.307 0.078 20 0 BCADHN C[C@@H]1CC[C@H](C(N)=O)CN1CCn1cncn1 ZINC000330570298 176218863 /nfs/dbraw/zinc/21/88/63/176218863.db2.gz DZNFPTASRNVKBS-ZJUUUORDSA-N 0 3 237.307 0.914 20 0 BCADHN C[C@@H]1CC[C@H](N(CCO)CC(=O)NC(N)=O)C1 ZINC000331166478 176229482 /nfs/dbraw/zinc/22/94/82/176229482.db2.gz GXIUETVUVMKVEW-BDAKNGLRSA-N 0 3 243.307 0.078 20 0 BCADHN C[C@@H]1CN(C(=O)C23CCCN2CCC3)C[C@@H]1O ZINC000355522611 176243242 /nfs/dbraw/zinc/24/32/42/176243242.db2.gz BTDNBBHNAXCSTD-MNOVXSKESA-N 0 3 238.331 0.454 20 0 BCADHN C[C@@H]1CN(C(=O)C2CCN(C)CC2)C[C@H]1CO ZINC000360839235 176243477 /nfs/dbraw/zinc/24/34/77/176243477.db2.gz WTBKAUBICYWQOV-PWSUYJOCSA-N 0 3 240.347 0.415 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2)CCN1 ZINC000188410699 176253538 /nfs/dbraw/zinc/25/35/38/176253538.db2.gz DAHKPCOAMOXWIL-PWSUYJOCSA-N 0 3 233.315 0.507 20 0 BCADHN CC(C(=O)N1C[C@@H](C)[C@H](C)C1)S(C)(=O)=O ZINC000337531371 176253573 /nfs/dbraw/zinc/25/35/73/176253573.db2.gz FBPLCMBPHXXKLI-IWSPIJDZSA-N 0 3 233.333 0.534 20 0 BCADHN C[C@@H](O)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000334418524 176253970 /nfs/dbraw/zinc/25/39/70/176253970.db2.gz RRTDEHVWABZKLN-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CCCCN2)CCCO1 ZINC000061920284 176257703 /nfs/dbraw/zinc/25/77/03/176257703.db2.gz MOASHUYODPDRTK-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CC[C@H]1NC(=O)N1CCN(C)C[C@H]1CN ZINC000669585655 487633562 /nfs/dbraw/zinc/63/35/62/487633562.db2.gz IAEJSVDWUTYTEW-GMTAPVOTSA-N 0 3 240.351 0.069 20 0 BCADHN C[C@@H]1CN(C(=O)c2cnn(C)c2)[C@H](C)CN1 ZINC000083118433 176265261 /nfs/dbraw/zinc/26/52/61/176265261.db2.gz JVHLKMYIWLTYPI-RKDXNWHRSA-N 0 3 222.292 0.243 20 0 BCADHN C[C@@H]1CN(C)CCN1C(=O)[C@@H](N)C(C)(C)C ZINC000226402490 176266623 /nfs/dbraw/zinc/26/66/23/176266623.db2.gz DSOQFNRTYZOZSM-NXEZZACHSA-N 0 3 227.352 0.522 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NC[C@@H](O)C(F)(F)F ZINC000309090530 176273316 /nfs/dbraw/zinc/27/33/16/176273316.db2.gz BALDNUSJJNPFJN-GJMOJQLCSA-N 0 3 226.242 0.449 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1C(=O)NCC(=O)C(C)(C)C ZINC000362992787 176275695 /nfs/dbraw/zinc/27/56/95/176275695.db2.gz OKOGSIAMKMYGST-NXEZZACHSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1NCC(=O)NCC1CC1 ZINC000336737264 176277236 /nfs/dbraw/zinc/27/72/36/176277236.db2.gz JHPASNRFNSAKKU-MWLCHTKSSA-N 0 3 225.336 0.052 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1N[C@H]1CCCN(C)C1=O ZINC000336778683 176279291 /nfs/dbraw/zinc/27/92/91/176279291.db2.gz MADNVNHRFOZBGR-OUAUKWLOSA-N 0 3 225.336 0.147 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cocn1 ZINC000268207675 176281289 /nfs/dbraw/zinc/28/12/89/176281289.db2.gz KDQIPCVOWAZNPN-SCZZXKLOSA-N 0 3 235.287 0.887 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1nccn(C)c1=O ZINC000268146123 176282012 /nfs/dbraw/zinc/28/20/12/176282012.db2.gz LOAHXEAKMFAGLM-KOLCDFICSA-N 0 3 248.330 0.675 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnccn1 ZINC000268255722 176282041 /nfs/dbraw/zinc/28/20/41/176282041.db2.gz RIJRISZPUWPBKV-SKDRFNHKSA-N 0 3 246.314 0.689 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccon1 ZINC000268183322 176282172 /nfs/dbraw/zinc/28/21/72/176282172.db2.gz GNDGIRLEHNXOCP-KCJUWKMLSA-N 0 3 235.287 0.887 20 0 BCADHN C[C@@H]1CN(CCCCO)C[C@@]2(CCOC2)O1 ZINC000373753139 176288550 /nfs/dbraw/zinc/28/85/50/176288550.db2.gz QLEGRAAGEJBCGF-VXGBXAGGSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@@H]1CN(CCCO)C[C@]2(CCCOC2)O1 ZINC000373816950 176289460 /nfs/dbraw/zinc/28/94/60/176289460.db2.gz XUMUDIFAALUXOG-NEPJUHHUSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)[C@@H]1C ZINC000339565593 176289751 /nfs/dbraw/zinc/28/97/51/176289751.db2.gz DPCALJFYXKEYNY-RKDXNWHRSA-N 0 3 225.292 0.269 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CCN1CCO[C@H](C)C1 ZINC000337326399 176290684 /nfs/dbraw/zinc/29/06/84/176290684.db2.gz WATSKORWNPMZBJ-IJLUTSLNSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@@H]1CN(CCN2CCC[C@H](O)CC2)CCO1 ZINC000339787047 176290813 /nfs/dbraw/zinc/29/08/13/176290813.db2.gz KBHZAFUQWSEZDQ-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H]1CN(CCN(C)CCCO)CCO1 ZINC000337459116 176290833 /nfs/dbraw/zinc/29/08/33/176290833.db2.gz JJXQRKMEMHJZMZ-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN C[C@@H]1C[C@H](O)CN1CCN1CCO[C@H](C)C1 ZINC000337326405 176290983 /nfs/dbraw/zinc/29/09/83/176290983.db2.gz WATSKORWNPMZBJ-UTUOFQBUSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@@H]1CN(CCN2CCCOCC2)CC[C@H]1O ZINC000361377770 176291423 /nfs/dbraw/zinc/29/14/23/176291423.db2.gz PJKKCBHZGNHUMB-CHWSQXEVSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@@H]1CN(CCc2ccccn2)C[C@@H]1O ZINC000351796551 176293834 /nfs/dbraw/zinc/29/38/34/176293834.db2.gz WKMOXYWADDEUSS-PWSUYJOCSA-N 0 3 206.289 0.937 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CNCCO2)CC(C)(C)O1 ZINC000041681560 176297817 /nfs/dbraw/zinc/29/78/17/176297817.db2.gz JNBLWOULTCBLFA-MNOVXSKESA-N 0 3 228.336 0.474 20 0 BCADHN Cc1nccnc1C(=O)NC[C@H](C)N1CCCC1 ZINC000668296941 487633341 /nfs/dbraw/zinc/63/33/41/487633341.db2.gz BVMNYJHGBXJNCJ-JTQLQIEISA-N 0 3 248.330 0.999 20 0 BCADHN C[C@@H]1CN(C[C@H](O)COC2CCOCC2)[C@@H]1C ZINC000339573647 176298662 /nfs/dbraw/zinc/29/86/62/176298662.db2.gz MCTNGEHKOWGBAU-UTUOFQBUSA-N 0 3 243.347 0.883 20 0 BCADHN C[C@@H]1CN(Cc2cc[nH]n2)[C@H](C)CN1C ZINC000336455966 176302923 /nfs/dbraw/zinc/30/29/23/176302923.db2.gz UUNRVSKZAGDQGK-NXEZZACHSA-N 0 3 208.309 0.934 20 0 BCADHN C[C@@H]1CN(Cc2ccc(CO)o2)C[C@H]1CO ZINC000191723993 176303419 /nfs/dbraw/zinc/30/34/19/176303419.db2.gz DBHBMGUKWLAZOV-ZJUUUORDSA-N 0 3 225.288 0.832 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N1C[C@H](CO)[C@H](C)C1 ZINC000362062529 176314254 /nfs/dbraw/zinc/31/42/54/176314254.db2.gz DTKFFHIJXIXNRO-OUAUKWLOSA-N 0 3 242.363 0.850 20 0 BCADHN C[C@H](C(=O)NC(C)(C)C)N1C[C@H](CO)[C@H](C)C1 ZINC000362062528 176316594 /nfs/dbraw/zinc/31/65/94/176316594.db2.gz DTKFFHIJXIXNRO-GMTAPVOTSA-N 0 3 242.363 0.850 20 0 BCADHN C[C@@H]1CN([C@H](C(N)=O)c2ccccc2)C[C@H]1CO ZINC000190895579 176316900 /nfs/dbraw/zinc/31/69/00/176316900.db2.gz KTQOPJRRSJHZEZ-WXHSDQCUSA-N 0 3 248.326 0.773 20 0 BCADHN C[C@@H]1COCCN(C[C@H](O)Cn2cccn2)C1 ZINC000331496094 176332731 /nfs/dbraw/zinc/33/27/31/176332731.db2.gz NTDGHMRLCZVLOA-RYUDHWBXSA-N 0 3 239.319 0.212 20 0 BCADHN COC[C@H](OC)C(=O)NC[C@@H](C)N1CCCC1 ZINC000668296950 487633491 /nfs/dbraw/zinc/63/34/91/487633491.db2.gz CBFJGNIANYFEPT-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC[C@H](O)CC1 ZINC000339774697 176335918 /nfs/dbraw/zinc/33/59/18/176335918.db2.gz DLJCCFRQSDBKBL-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H]1COCCN1CCNCc1ccccn1 ZINC000053381495 176336218 /nfs/dbraw/zinc/33/62/18/176336218.db2.gz NPUFYXHYYZPCPE-GFCCVEGCSA-N 0 3 235.331 0.892 20 0 BCADHN C[C@@H]1COCC[C@H]1NCc1cc(C(N)=O)co1 ZINC000354646609 176344450 /nfs/dbraw/zinc/34/44/50/176344450.db2.gz KQJPXECWFNKGDB-LDYMZIIASA-N 0 3 238.287 0.893 20 0 BCADHN C[C@@H]1COC[C@@H](C)N1C(=O)[C@]1(F)CCNC1 ZINC000370766052 176345888 /nfs/dbraw/zinc/34/58/88/176345888.db2.gz JCLYTFPBBONXIC-KKZNHRDASA-N 0 3 230.283 0.324 20 0 BCADHN C[C@@H]1CSC[C@@H]1NCC(=O)NC1CC1 ZINC000308555453 176352138 /nfs/dbraw/zinc/35/21/38/176352138.db2.gz RYCSWSCUABCXPS-APPZFPTMSA-N 0 3 214.334 0.606 20 0 BCADHN C[C@@H]1CSC[C@@H]1N[C@@H]1CCN(C)C1=O ZINC000307545924 176353356 /nfs/dbraw/zinc/35/33/56/176353356.db2.gz KZSOQTKLNCZQDJ-HLTSFMKQSA-N 0 3 214.334 0.558 20 0 BCADHN C[C@@H]1CSC[C@@H]1N[C@@H]1CCNC1=O ZINC000307042159 176354234 /nfs/dbraw/zinc/35/42/34/176354234.db2.gz RZOWHZGSVYMZPL-PRJMDXOYSA-N 0 3 200.307 0.216 20 0 BCADHN C[C@@H]1CSC[C@H]1NCC(=O)N1CCCC1 ZINC000335589821 176355185 /nfs/dbraw/zinc/35/51/85/176355185.db2.gz QDBBVQHQAGMOIU-NXEZZACHSA-N 0 3 228.361 0.950 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)N(C)[C@@H]2CCCN(C)C2)CO1 ZINC000353026803 176356953 /nfs/dbraw/zinc/35/69/53/176356953.db2.gz BDNORVUAUMXJIV-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)NCC2=CCN(C)CC2)CO1 ZINC000336315797 176358094 /nfs/dbraw/zinc/35/80/94/176358094.db2.gz RUDCIRQGPBLNLX-ZYHUDNBSSA-N 0 3 238.331 0.790 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)N2CCN(C)CC[C@H]2C)CO1 ZINC000352452732 176358174 /nfs/dbraw/zinc/35/81/74/176358174.db2.gz AYOHTOKDAMJUOR-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)CO1 ZINC000352516836 176358625 /nfs/dbraw/zinc/35/86/25/176358625.db2.gz NCZSQKCZEMIMHK-GMTAPVOTSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CO[C@H](C)C1)N(C)C ZINC000352507620 176359264 /nfs/dbraw/zinc/35/92/64/176359264.db2.gz KSJGIVWEQQZXQM-OPRDCNLKSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@@H]1C[C@@H](CN2CCC[C@@H]2C(N)=O)CCO1 ZINC000408143771 176369283 /nfs/dbraw/zinc/36/92/83/176369283.db2.gz BXXKPLKMPQLBGE-OUAUKWLOSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C(C)(C)O ZINC000376402402 176371497 /nfs/dbraw/zinc/37/14/97/176371497.db2.gz IGWKOJDELRJQDC-GHMZBOCLSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N(C)CCN(C)C)CCO1 ZINC000355140255 176373549 /nfs/dbraw/zinc/37/35/49/176373549.db2.gz TWGFDHSYNBDUOQ-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)NCCCO)CCN1C ZINC000341197001 176374414 /nfs/dbraw/zinc/37/44/14/176374414.db2.gz JEGRDGJEWFEPGH-ZJUUUORDSA-N 0 3 229.324 0.151 20 0 BCADHN C[C@@H]1C[C@@H](Nc2nccc(CO)n2)CCN1C ZINC000341564462 176380160 /nfs/dbraw/zinc/38/01/60/176380160.db2.gz LYFOTHRWEFPZKP-ZJUUUORDSA-N 0 3 236.319 0.864 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C(=O)CC1CCN(C)CC1 ZINC000336503521 176381029 /nfs/dbraw/zinc/38/10/29/176381029.db2.gz JARYMGVNAMKJAR-ZYHUDNBSSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1C[C@@H]1CNCc1nnc2n1CCC2 ZINC000309140764 176396744 /nfs/dbraw/zinc/39/67/44/176396744.db2.gz SYIGORLFOYCFPZ-RKDXNWHRSA-N 0 3 206.293 0.970 20 0 BCADHN C[C@@H]1C[C@@H]1N1C[C@@H](N[C@H]2CCCOC2)CC1=O ZINC000366634874 176398703 /nfs/dbraw/zinc/39/87/03/176398703.db2.gz WFBZPNQNIAPHLF-RHYQMDGZSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H]1C[C@@H]1N1C[C@H](N[C@H]2CCO[C@@H]2C)CC1=O ZINC000358211696 176399023 /nfs/dbraw/zinc/39/90/23/176399023.db2.gz ZJGULFJIMDWBNO-JCIQBVFBSA-N 0 3 238.331 0.763 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)NC[C@@](C)(O)CN(C)C ZINC000337436221 176437196 /nfs/dbraw/zinc/43/71/96/176437196.db2.gz WRKWIIVDSUKGDU-JFGNBEQYSA-N 0 3 243.351 0.254 20 0 BCADHN C[C@@H]1OCC[C@H]1NC(=O)[C@@]1(C)CCCCN1 ZINC000227980051 176479464 /nfs/dbraw/zinc/47/94/64/176479464.db2.gz GQJRDTBFZNICHR-HOSYDEDBSA-N 0 3 226.320 0.812 20 0 BCADHN C[C@@]1(NC(=O)C[C@H]2CSCCN2)CCOC1 ZINC000119128962 176537783 /nfs/dbraw/zinc/53/77/83/176537783.db2.gz ZJHOODJQYRAQJA-GXSJLCMTSA-N 0 3 244.360 0.377 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@@H]1CCCOC1 ZINC000352832160 176651814 /nfs/dbraw/zinc/65/18/14/176651814.db2.gz VMYGZHUVCFWVID-NXEZZACHSA-N 0 3 229.324 0.415 20 0 BCADHN C[C@H](CO)N1CCCN(Cc2ccncc2)CC1 ZINC000375503092 176701385 /nfs/dbraw/zinc/70/13/85/176701385.db2.gz YYSYHWIYDXIJLU-CYBMUJFWSA-N 0 3 249.358 0.970 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)N)c1nc(C(C)(C)C)no1 ZINC000121623795 176752062 /nfs/dbraw/zinc/75/20/62/176752062.db2.gz RGQFTKGHBUIZJI-NKWVEPMBSA-N 0 3 240.307 0.892 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000083884945 176753050 /nfs/dbraw/zinc/75/30/50/176753050.db2.gz NWMXIJJAUROAJV-ZETCQYMHSA-N 0 3 233.271 0.857 20 0 BCADHN C[C@H](NC(=O)[C@H]1C[C@H](F)CN1)[C@@H]1CCCCO1 ZINC000364036195 176815377 /nfs/dbraw/zinc/81/53/77/176815377.db2.gz JCWVMKDTKFECCQ-MMWGEVLESA-N 0 3 244.310 0.760 20 0 BCADHN C[C@H](NCc1ccc(O)cc1)C(=O)N(C)C ZINC000036793984 176875664 /nfs/dbraw/zinc/87/56/64/176875664.db2.gz LQJSVJZPMQXQEJ-VIFPVBQESA-N 0 3 222.288 0.959 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-]C[C@H](C)[NH3+])s1 ZINC000235488325 487636263 /nfs/dbraw/zinc/63/62/63/487636263.db2.gz IWSKVUVPALCYFW-YFKPBYRVSA-N 0 3 235.334 0.077 20 0 BCADHN C[C@H](N[C@H]1CCC(=O)NC1)c1cn[nH]c1 ZINC000336701377 176918449 /nfs/dbraw/zinc/91/84/49/176918449.db2.gz PRARDFSTECBAJB-CBAPKCEASA-N 0 3 208.265 0.339 20 0 BCADHN C[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccnn1C ZINC000192251871 176918474 /nfs/dbraw/zinc/91/84/74/176918474.db2.gz ZUXVARMEYDNEHQ-UWVGGRQHSA-N 0 3 236.319 0.692 20 0 BCADHN C[C@H](O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000362663920 176942259 /nfs/dbraw/zinc/94/22/59/176942259.db2.gz IDZSQKOXQVXTGC-VHSXEESVSA-N 0 3 212.293 0.064 20 0 BCADHN C[C@H](O)CCCN1CCCC[C@H]1C(N)=O ZINC000354857605 176952546 /nfs/dbraw/zinc/95/25/46/176952546.db2.gz AVXOONVPGBQNGK-UWVGGRQHSA-N 0 3 214.309 0.487 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@@H](C)C[C@H](C)O ZINC000358522078 177000618 /nfs/dbraw/zinc/00/06/18/177000618.db2.gz QDTROSGKNQIOLC-AEJSXWLSSA-N 0 3 231.340 0.395 20 0 BCADHN C[C@H](O)[C@@H]1CCN(CC(=O)N(C)CC2CC2)C1 ZINC000305849686 177009012 /nfs/dbraw/zinc/00/90/12/177009012.db2.gz JFWYAOKOWBMADS-CMPLNLGQSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@H](O)[C@@H]1CCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000305829675 177009187 /nfs/dbraw/zinc/00/91/87/177009187.db2.gz USDUYHXOBYXGGO-UMNHJUIQSA-N 0 3 238.331 0.452 20 0 BCADHN C[C@H](O)[C@H]1CCCCN1CC(=O)N1CCCC1 ZINC000303974779 177013990 /nfs/dbraw/zinc/01/39/90/177013990.db2.gz AZHOIKRASNZOIM-NWDGAFQWSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](Sc1nnnn1CCN(C)C)C(N)=O ZINC000330430884 177030918 /nfs/dbraw/zinc/03/09/18/177030918.db2.gz ZVXLZVRWKWNAQH-LURJTMIESA-N 0 3 244.324 0.251 20 0 BCADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CO)C1 ZINC000331329303 177040016 /nfs/dbraw/zinc/04/00/16/177040016.db2.gz QLFNCEWXMXBIGD-YPMHNXCESA-N 0 3 248.326 0.930 20 0 BCADHN C[C@H]1CC(=O)NCCN1CCCn1ccnc1 ZINC000371474312 177062770 /nfs/dbraw/zinc/06/27/70/177062770.db2.gz YOHMBORJGBUWRN-NSHDSACASA-N 0 3 236.319 0.484 20 0 BCADHN C[C@H]1CCCCN1C(=O)C1(N)CCOCC1 ZINC000149627483 177072641 /nfs/dbraw/zinc/07/26/41/177072641.db2.gz WKTNVFYKYHOYPI-JTQLQIEISA-N 0 3 226.320 0.895 20 0 BCADHN C[C@H]1CCCCN1CCN1CCCS1(=O)=O ZINC000336511146 177075807 /nfs/dbraw/zinc/07/58/07/177075807.db2.gz FEGOXFVQCZVETO-NSHDSACASA-N 0 3 246.376 0.896 20 0 BCADHN C[C@H]1CCC[C@@H](CO)N1CC(=O)N1CCCC1 ZINC000305866272 177120442 /nfs/dbraw/zinc/12/04/42/177120442.db2.gz NBLZNTCNHGDNOX-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H]1CCC[C@H](N(C)CC(=O)NC(N)=O)C1 ZINC000026469295 177134784 /nfs/dbraw/zinc/13/47/84/177134784.db2.gz BXFCKDCYKBZGJI-IUCAKERBSA-N 0 3 227.308 0.692 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CC[C@H](C)[C@@H]1CO ZINC000358516939 177150274 /nfs/dbraw/zinc/15/02/74/177150274.db2.gz IGNXNWBKGRWHDA-AXFHLTTASA-N 0 3 243.351 0.349 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCOCC2)C1 ZINC000336504067 177157083 /nfs/dbraw/zinc/15/70/83/177157083.db2.gz LRSXFANUZLDDLL-JTQLQIEISA-N 0 3 212.293 0.187 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)C[C@@H]1CCOC1 ZINC000336446111 177157404 /nfs/dbraw/zinc/15/74/04/177157404.db2.gz MEDONZDZKGNMIZ-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H]1CCN(CCc2cn[nH]c2)C[C@@H]1O ZINC000335569297 177162445 /nfs/dbraw/zinc/16/24/45/177162445.db2.gz RIABZYILHPVHRD-ONGXEEELSA-N 0 3 209.293 0.655 20 0 BCADHN C[C@H]1CCN(Cc2cnn(C)c2)[C@H]1CO ZINC000248972876 177166481 /nfs/dbraw/zinc/16/64/81/177166481.db2.gz TWDDHYUFTOXHEK-ONGXEEELSA-N 0 3 209.293 0.623 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCc1cccn1C ZINC000193675466 177173536 /nfs/dbraw/zinc/17/35/36/177173536.db2.gz NHKAEXMUBRQYGH-GXSJLCMTSA-N 0 3 221.304 0.639 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)NCC2CCOCC2)C1 ZINC000127225004 177175229 /nfs/dbraw/zinc/17/52/29/177175229.db2.gz BEAVVSNNNFJXAF-CMPLNLGQSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@H]1CCNC[C@H]1NS(=O)(=O)CC1CCC1 ZINC000335586571 177175382 /nfs/dbraw/zinc/17/53/82/177175382.db2.gz LWNSZWSOXVHCIO-GXSJLCMTSA-N 0 3 246.376 0.704 20 0 BCADHN C[C@H]1CCOCCN1CCn1ccnc1 ZINC000374983673 177177143 /nfs/dbraw/zinc/17/71/43/177177143.db2.gz VUXWSPUFJGQLOD-NSHDSACASA-N 0 3 209.293 0.994 20 0 BCADHN C[C@@H]1CN(CCN2CCOCC[C@@H]2C)CCO1 ZINC000374290749 177177211 /nfs/dbraw/zinc/17/72/11/177177211.db2.gz GIKMUMLKKKFSKO-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H]1CC[C@@H](C(N)=O)CN1CCn1cncn1 ZINC000330570296 177180378 /nfs/dbraw/zinc/18/03/78/177180378.db2.gz DZNFPTASRNVKBS-VHSXEESVSA-N 0 3 237.307 0.914 20 0 BCADHN C[C@H]1CC[C@H](CN(CCO)CCCO)O1 ZINC000354885743 177200644 /nfs/dbraw/zinc/20/06/44/177200644.db2.gz GOBJBNBYMPPFNY-WDEREUQCSA-N 0 3 217.309 0.231 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H](CO)C1 ZINC000340313712 177185919 /nfs/dbraw/zinc/18/59/19/177185919.db2.gz MVQDYCUIYMFBCP-GRYCIOLGSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](CO)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000331307307 177186341 /nfs/dbraw/zinc/18/63/41/177186341.db2.gz FGSDLJUFLDSTAM-MXWKQRLJSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H](O)C1)N1[C@H](C)CC[C@@H]1C ZINC000305144842 177187308 /nfs/dbraw/zinc/18/73/08/177187308.db2.gz NERHQZWJJXSGNP-WRWGMCAJSA-N 0 3 240.347 0.841 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ncc[nH]1 ZINC000330969192 177198900 /nfs/dbraw/zinc/19/89/00/177198900.db2.gz MDWHUDBKFMYYBS-UWVGGRQHSA-N 0 3 236.319 0.899 20 0 BCADHN C[C@@H]1CO[C@@H](C)CN1C(=O)/C=C/CN(C)C ZINC000264665157 177210821 /nfs/dbraw/zinc/21/08/21/177210821.db2.gz WWQUPURWJASPGI-PVTPVBHGSA-N 0 3 226.320 0.740 20 0 BCADHN C[C@H]1CN(C(=O)C2(N)CCOCC2)C[C@@H]1C ZINC000149748291 177212515 /nfs/dbraw/zinc/21/25/15/177212515.db2.gz OZLRTCRKMWTZEJ-UWVGGRQHSA-N 0 3 226.320 0.609 20 0 BCADHN C[C@H]1CN(C(=O)C2(N)CCCC2)CCO1 ZINC000037479365 177212555 /nfs/dbraw/zinc/21/25/55/177212555.db2.gz VBEPHOGTDMFVKX-VIFPVBQESA-N 0 3 212.293 0.505 20 0 BCADHN C[C@H]1CN(C(=O)CN)C[C@@H](c2ccsc2)O1 ZINC000237594492 177216535 /nfs/dbraw/zinc/21/65/35/177216535.db2.gz LTFIQIHCAASOJY-WPRPVWTQSA-N 0 3 240.328 0.995 20 0 BCADHN C[C@@H]1CO[C@@H](C)CN1C(=O)CNC1CC1 ZINC000037476981 177216610 /nfs/dbraw/zinc/21/66/10/177216610.db2.gz OLBRQEMQKKLXTG-BDAKNGLRSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@H]1CN(C(=O)CN)C[C@@H](c2ccccc2)O1 ZINC000237594455 177217126 /nfs/dbraw/zinc/21/71/26/177217126.db2.gz GOWCKGGTURKJNY-JQWIXIFHSA-N 0 3 234.299 0.934 20 0 BCADHN C[C@H]1CN(C(=O)COCC2CC2)[C@@H](C)CN1 ZINC000356378148 177217503 /nfs/dbraw/zinc/21/75/03/177217503.db2.gz YKGCAOTUHNZGCY-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)C[C@H](C)O1 ZINC000091298861 177217782 /nfs/dbraw/zinc/21/77/82/177217782.db2.gz CHFSUHYCNFQMPQ-OUAUKWLOSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@H]1CN(C(=O)Cn2ccccc2=O)[C@@H](C)CN1 ZINC000237615683 177219373 /nfs/dbraw/zinc/21/93/73/177219373.db2.gz LLWBCDFKMBLVBE-QWRGUYRKSA-N 0 3 249.314 0.057 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1C[C@H](C)OC[C@H]1C ZINC000358523974 177221396 /nfs/dbraw/zinc/22/13/96/177221396.db2.gz LYKHEQMWILQRHQ-MXWKQRLJSA-N 0 3 243.351 0.755 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCCO[C@@H](C)C1 ZINC000335662973 177222069 /nfs/dbraw/zinc/22/20/69/177222069.db2.gz NCNQUNXZPPECII-VHSXEESVSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H]1CN(C(=O)c2cc[nH]n2)[C@@H](C)CN1 ZINC000083118144 177226342 /nfs/dbraw/zinc/22/63/42/177226342.db2.gz SLPSQAPOKAHWIF-YUMQZZPRSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@H]1CN(C(=O)c2ccn[nH]2)[C@@H](C)CN1 ZINC000083118144 177226344 /nfs/dbraw/zinc/22/63/44/177226344.db2.gz SLPSQAPOKAHWIF-YUMQZZPRSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@H]1CN(C(=O)c2cccc(=O)n2C)[C@@H](C)CN1 ZINC000272498393 177227086 /nfs/dbraw/zinc/22/70/86/177227086.db2.gz DKNJXQSJYAAKFW-UWVGGRQHSA-N 0 3 249.314 0.208 20 0 BCADHN C[C@H]1CN(C(=O)c2cccnc2)[C@@H](C)CN1 ZINC000062609451 177228962 /nfs/dbraw/zinc/22/89/62/177228962.db2.gz BWTHTCOUJVZHPD-UWVGGRQHSA-N 0 3 219.288 0.904 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccnnc1 ZINC000159535335 177229949 /nfs/dbraw/zinc/22/99/49/177229949.db2.gz JRPOQLBUQONJQT-DTWKUNHWSA-N 0 3 220.276 0.299 20 0 BCADHN C[C@H]1CN(C(=O)c2ccnnc2)[C@@H](C)CN1 ZINC000159535478 177230202 /nfs/dbraw/zinc/23/02/02/177230202.db2.gz JRPOQLBUQONJQT-IUCAKERBSA-N 0 3 220.276 0.299 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cnns1 ZINC000083118223 177231724 /nfs/dbraw/zinc/23/17/24/177231724.db2.gz ILWDTZKBVQGQMO-NKWVEPMBSA-N 0 3 226.305 0.361 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cocn1 ZINC000272587371 177231877 /nfs/dbraw/zinc/23/18/77/177231877.db2.gz RLKZOVNVOKCIJI-JGVFFNPUSA-N 0 3 209.249 0.497 20 0 BCADHN C[C@H]1CN(C)CCN1C(=O)[C@@H](N)C(C)(C)C ZINC000226402496 177232304 /nfs/dbraw/zinc/23/23/04/177232304.db2.gz DSOQFNRTYZOZSM-VHSXEESVSA-N 0 3 227.352 0.522 20 0 BCADHN C[C@H]1CN(C)C[C@@H]1NCC1(S(C)(=O)=O)CC1 ZINC000309793449 177235361 /nfs/dbraw/zinc/23/53/61/177235361.db2.gz PQZIOBHCBGACJP-UWVGGRQHSA-N 0 3 246.376 0.103 20 0 BCADHN C[C@H]1CN(C)C[C@@H]1NCc1nnc(C2CC2)[nH]1 ZINC000333327194 177235959 /nfs/dbraw/zinc/23/59/59/177235959.db2.gz QLBBUWVTQPSTRR-WPRPVWTQSA-N 0 3 235.335 0.722 20 0 BCADHN C[C@H]1CN(C)C[C@@H]1NCc1nnc2ccccn21 ZINC000354961981 177236135 /nfs/dbraw/zinc/23/61/35/177236135.db2.gz SFWSVOOFJPXCEO-QWRGUYRKSA-N 0 3 245.330 0.769 20 0 BCADHN C[C@H]1CN(C)C[C@H]1NCC(=O)NC(C)(C)C ZINC000309467641 177237868 /nfs/dbraw/zinc/23/78/68/177237868.db2.gz QHGSFWLCMXYOIH-VHSXEESVSA-N 0 3 227.352 0.441 20 0 BCADHN C[C@H]1CN(C)C[C@H]1NCc1nnc(C2CC2)[nH]1 ZINC000333327193 177238222 /nfs/dbraw/zinc/23/82/22/177238222.db2.gz QLBBUWVTQPSTRR-WCBMZHEXSA-N 0 3 235.335 0.722 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)CCO ZINC000349169201 177240410 /nfs/dbraw/zinc/24/04/10/177240410.db2.gz AYQWBJMTBIYPFD-ONGXEEELSA-N 0 3 241.335 0.103 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccnnc1 ZINC000270456714 177240918 /nfs/dbraw/zinc/24/09/18/177240918.db2.gz QBUKCJZXQRPVGX-CABZTGNLSA-N 0 3 246.314 0.689 20 0 BCADHN C[C@H]1CN(CC2(C)COC2)C[C@]2(CCOC2)O1 ZINC000361511369 177244994 /nfs/dbraw/zinc/24/49/94/177244994.db2.gz RAMAFOXBTBABQM-AAEUAGOBSA-N 0 3 241.331 0.903 20 0 BCADHN C[C@H]1CN(CCN2CC[C@H](O)C2(C)C)CCO1 ZINC000361415212 177250596 /nfs/dbraw/zinc/25/05/96/177250596.db2.gz NRQXOFBHVLEXBO-RYUDHWBXSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@H]1CN(CCN2CCCOCC2)CC[C@@H]1O ZINC000361377773 177252063 /nfs/dbraw/zinc/25/20/63/177252063.db2.gz PJKKCBHZGNHUMB-STQMWFEESA-N 0 3 242.363 0.411 20 0 BCADHN C[C@H]1CN(CCc2ccncc2)C[C@@H]1O ZINC000351831886 177256134 /nfs/dbraw/zinc/25/61/34/177256134.db2.gz ULKPTULYQXRXLZ-JQWIXIFHSA-N 0 3 206.289 0.937 20 0 BCADHN C[C@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC000351815752 177262681 /nfs/dbraw/zinc/26/26/81/177262681.db2.gz XCAUNYCEHNUOCB-CABZTGNLSA-N 0 3 234.299 0.598 20 0 BCADHN C[C@H]1CN(Cc2cncn2C)[C@@H](C)CN1C ZINC000336436987 177269592 /nfs/dbraw/zinc/26/95/92/177269592.db2.gz GFHMYWDYIHVBJF-QWRGUYRKSA-N 0 3 222.336 0.945 20 0 BCADHN C[C@@H]1CN([C@H]2CCCNC2=O)C[C@H](C)N1C ZINC000336889720 177276371 /nfs/dbraw/zinc/27/63/71/177276371.db2.gz MQZQWOAVPVTCHT-AXFHLTTASA-N 0 3 225.336 0.289 20 0 BCADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cn[nH]c1 ZINC000083550511 177280963 /nfs/dbraw/zinc/28/09/63/177280963.db2.gz RAXYJBWMINYKBU-GXSJLCMTSA-N 0 3 234.303 0.718 20 0 BCADHN C[C@H]1COCCN(CC[C@@H]2CCOC2=O)C1 ZINC000374351209 177288886 /nfs/dbraw/zinc/28/88/86/177288886.db2.gz BLBMQORGKJZPDL-GHMZBOCLSA-N 0 3 227.304 0.908 20 0 BCADHN C[C@H]1COCCN1C(=O)/C=C/CN(C)C ZINC000264648213 177289306 /nfs/dbraw/zinc/28/93/06/177289306.db2.gz RSYYSTWBQOSOEJ-YEZKRMTDSA-N 0 3 212.293 0.352 20 0 BCADHN C[C@H]1COCCN1C(=O)NC[C@H]1CCCN1C ZINC000120855660 177289943 /nfs/dbraw/zinc/28/99/43/177289943.db2.gz FGMIVPCCHOHXMZ-WDEREUQCSA-N 0 3 241.335 0.511 20 0 BCADHN C[C@H]1COCC[C@H]1CNC(=O)NCCN(C)C ZINC000357857434 177295809 /nfs/dbraw/zinc/29/58/09/177295809.db2.gz HXMCLZYJAOZEAJ-QWRGUYRKSA-N 0 3 243.351 0.520 20 0 BCADHN C[C@@H]1C[C@H](CN2C[C@H](CO)OC[C@@H]2C)CCO1 ZINC000352611513 177300265 /nfs/dbraw/zinc/30/02/65/177300265.db2.gz HUAQWMKNSKYLAC-UMSGYPCISA-N 0 3 243.347 0.883 20 0 BCADHN C[C@H]1C[C@@H](C(=O)N(C)CCN(C)C)CO1 ZINC000353015113 177307364 /nfs/dbraw/zinc/30/73/64/177307364.db2.gz LBRRUPSPLGWZKU-VHSXEESVSA-N 0 3 214.309 0.431 20 0 BCADHN C[C@@H]1C[C@H](C)[C@H](C)N(CC(=O)NC(N)=O)C1 ZINC000355777375 177312257 /nfs/dbraw/zinc/31/22/57/177312257.db2.gz BGINHKIBHFHIEZ-VGMNWLOBSA-N 0 3 227.308 0.548 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)CN)CN1Cc1ccccc1 ZINC000178831655 177328249 /nfs/dbraw/zinc/32/82/49/177328249.db2.gz QYWSQJFQXSKTNP-WCQYABFASA-N 0 3 247.342 0.724 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)/C=C/CN(C)C)CCO1 ZINC000271231749 177328613 /nfs/dbraw/zinc/32/86/13/177328613.db2.gz CFIVIVUWCVMLIX-NNOMMRTBSA-N 0 3 226.320 0.788 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cncnc2)CN1C1CC1 ZINC000273861463 177329676 /nfs/dbraw/zinc/32/96/76/177329676.db2.gz USYJWIOITMXLBC-GXSJLCMTSA-N 0 3 246.314 0.832 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2ccn[nH]2)CN1C1CC1 ZINC000177211060 177329867 /nfs/dbraw/zinc/32/98/67/177329867.db2.gz PFVNJVGUVCJQFA-DTWKUNHWSA-N 0 3 234.303 0.765 20 0 BCADHN C[C@H](CCO)NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341163078 177329920 /nfs/dbraw/zinc/32/99/20/177329920.db2.gz MERJRDNZDKFAIA-VWYCJHECSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)CCN1C ZINC000235686424 177329960 /nfs/dbraw/zinc/32/99/60/177329960.db2.gz INRGIUUCNRHXPM-UWVGGRQHSA-N 0 3 249.314 0.587 20 0 BCADHN C[C@H]1C[C@@H](Nc2nccc(CO)n2)CCN1C ZINC000341564457 177335252 /nfs/dbraw/zinc/33/52/52/177335252.db2.gz LYFOTHRWEFPZKP-UWVGGRQHSA-N 0 3 236.319 0.864 20 0 BCADHN C[C@H]1C[C@@H](O)CN1Cc1ccc2c(c1)nnn2C ZINC000331804696 177337403 /nfs/dbraw/zinc/33/74/03/177337403.db2.gz CJYJHEJMBMKRLW-GXSJLCMTSA-N 0 3 246.314 0.923 20 0 BCADHN C[C@H]1C[C@H](CN2C[C@@H]3COC[C@H](C2)O3)CCO1 ZINC000338379035 177362054 /nfs/dbraw/zinc/36/20/54/177362054.db2.gz ZCIYFMRTQGJLGG-QNWHQSFQSA-N 0 3 241.331 0.901 20 0 BCADHN C[C@H]1C[C@H](NC(=O)CN)CN1Cc1ccccc1 ZINC000178831640 177366910 /nfs/dbraw/zinc/36/69/10/177366910.db2.gz QYWSQJFQXSKTNP-AAEUAGOBSA-N 0 3 247.342 0.724 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cnn(C)c2)CN1C1CC1 ZINC000177043334 177368158 /nfs/dbraw/zinc/36/81/58/177368158.db2.gz RHWYAKZMHZZTKK-ONGXEEELSA-N 0 3 248.330 0.775 20 0 BCADHN C[C@H]1C[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000365004388 177376164 /nfs/dbraw/zinc/37/61/64/177376164.db2.gz XSRBSDHNSIPYEH-GXSJLCMTSA-N 0 3 208.305 0.949 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cscn2)[C@@H]1C ZINC000262754877 177396721 /nfs/dbraw/zinc/39/67/21/177396721.db2.gz HIJMCWDUGAUJIO-HTQZYQBOSA-N 0 3 225.317 0.966 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccon2)[C@@H]1C ZINC000261541764 177396743 /nfs/dbraw/zinc/39/67/43/177396743.db2.gz GFJBFFWZQYDHBC-HTQZYQBOSA-N 0 3 209.249 0.497 20 0 BCADHN C[C@H]1NCCN(C(=O)COc2cccnc2)[C@@H]1C ZINC000277488118 177396927 /nfs/dbraw/zinc/39/69/27/177396927.db2.gz NKOVIFXZIQPDIG-GHMZBOCLSA-N 0 3 249.314 0.669 20 0 BCADHN C[C@H]1NCCN(C(=O)Cn2cccn2)[C@@H]1C ZINC000262728539 177397133 /nfs/dbraw/zinc/39/71/33/177397133.db2.gz AXQFPTUZEZCXJL-NXEZZACHSA-N 0 3 222.292 0.092 20 0 BCADHN C[C@@](CO)(NC[C@@H]1CCC(=O)N1)c1ccccc1 ZINC000225771311 487641843 /nfs/dbraw/zinc/64/18/43/487641843.db2.gz GVXMPPDQMMOIDC-JSGCOSHPSA-N 0 3 248.326 0.762 20 0 BCADHN CN(C)[C@H]1CN(C(=O)CC(C)(C)C)C[C@@H]1O ZINC000556972852 322932532 /nfs/dbraw/zinc/93/25/32/322932532.db2.gz BDMGALWUELMBEM-UWVGGRQHSA-N 0 3 228.336 0.556 20 0 BCADHN C[C@H](CNC(=O)CC(C)(C)O)N(C)C ZINC000471712108 225071082 /nfs/dbraw/zinc/07/10/82/225071082.db2.gz JHMQBINVZCCZMX-MRVPVSSYSA-N 0 3 202.298 0.214 20 0 BCADHN CO[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1)C1CC1 ZINC000471888986 225088175 /nfs/dbraw/zinc/08/81/75/225088175.db2.gz RZZJTLLLNGAKOF-PWSUYJOCSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1C(=O)NCC(=O)C1CC1 ZINC000486959327 225277275 /nfs/dbraw/zinc/27/72/75/225277275.db2.gz VNOARBYNXYFSLV-SCZZXKLOSA-N 0 3 224.304 0.279 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1C(=O)NC[C@@H]1CCCC1=O ZINC000487360529 225301120 /nfs/dbraw/zinc/30/11/20/225301120.db2.gz BSYPUFLTZLOLLZ-OUAUKWLOSA-N 0 3 238.331 0.670 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCO[C@@H](CN(C)C)C1 ZINC000488321019 225370572 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/nfs/dbraw/zinc/34/34/27/229343427.db2.gz YCJVLCSPLAIPGW-OUAUKWLOSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000512412891 229343652 /nfs/dbraw/zinc/34/36/52/229343652.db2.gz YCJVLCSPLAIPGW-GARJFASQSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCO[C@H](C)[C@H]1C ZINC000512442358 229344005 /nfs/dbraw/zinc/34/40/05/229344005.db2.gz XQZAXIHUVMIJFG-HBNTYKKESA-N 0 3 243.351 0.755 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000512440605 229344570 /nfs/dbraw/zinc/34/45/70/229344570.db2.gz GTOQFPAHJAAJTI-HBNTYKKESA-N 0 3 243.351 0.349 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1C[C@@H](C)OC[C@H]1C ZINC000512441194 229344656 /nfs/dbraw/zinc/34/46/56/229344656.db2.gz LYKHEQMWILQRHQ-HBNTYKKESA-N 0 3 243.351 0.755 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000512440604 229345199 /nfs/dbraw/zinc/34/51/99/229345199.db2.gz GTOQFPAHJAAJTI-GARJFASQSA-N 0 3 243.351 0.349 20 0 BCADHN CNS(=O)(=O)NCC1(N(C)C)CCCCC1 ZINC000671670815 487680158 /nfs/dbraw/zinc/68/01/58/487680158.db2.gz MUSHOQFVBOBKHB-UHFFFAOYSA-N 0 3 249.380 0.305 20 0 BCADHN C[C@H](N[C@@H](C)[C@H]1CCCO1)C(=O)NC1CC1 ZINC000035735661 487682555 /nfs/dbraw/zinc/68/25/55/487682555.db2.gz INDZEVQFJAIZGN-ATZCPNFKSA-N 0 3 226.320 0.811 20 0 BCADHN CCN1CC[C@H](N(C)S(=O)(=O)NC)C[C@H]1C ZINC000671676814 487684664 /nfs/dbraw/zinc/68/46/64/487684664.db2.gz JUEWGDFTKHPZGD-ZJUUUORDSA-N 0 3 249.380 0.255 20 0 BCADHN CCc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)[nH]n1 ZINC000262832938 487691250 /nfs/dbraw/zinc/69/12/50/487691250.db2.gz VQFRJYACRNLRHG-IUCAKERBSA-N 0 3 236.319 0.795 20 0 BCADHN CCc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)n[nH]1 ZINC000262832938 487691257 /nfs/dbraw/zinc/69/12/57/487691257.db2.gz VQFRJYACRNLRHG-IUCAKERBSA-N 0 3 236.319 0.795 20 0 BCADHN CCn1nncc1CN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000527727602 262876901 /nfs/dbraw/zinc/87/69/01/262876901.db2.gz HERPBHYUPFPNHU-IQJOONFLSA-N 0 3 224.308 0.954 20 0 BCADHN O=C(c1cn[nH]n1)N1CC[C@@H](N2CCCC2)C1 ZINC000112282028 262924819 /nfs/dbraw/zinc/92/48/19/262924819.db2.gz PBDXMPVLCFSDOW-SECBINFHSA-N 0 3 235.291 0.115 20 0 BCADHN COCCCNC(=O)CN[C@H]1CSC[C@@H]1C ZINC000397801291 262934598 /nfs/dbraw/zinc/93/45/98/262934598.db2.gz CMCWYKZYOGUHBQ-UWVGGRQHSA-N 0 3 246.376 0.480 20 0 BCADHN CC(C)C[C@H](C)N1C[C@H](O)C[C@H]1C(N)=O ZINC000528637315 262963715 /nfs/dbraw/zinc/96/37/15/262963715.db2.gz VQRSDAPIYJWLOL-AEJSXWLSSA-N 0 3 214.309 0.342 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528786885 262974773 /nfs/dbraw/zinc/97/47/73/262974773.db2.gz KBWDXEMJGBAQMM-YRORDHRNSA-N 0 3 245.388 0.989 20 0 BCADHN CC(=O)CCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000669703074 487699904 /nfs/dbraw/zinc/69/99/04/487699904.db2.gz CMOSODFLZWWOBM-GFCCVEGCSA-N 0 3 238.331 0.956 20 0 BCADHN Cc1noc2ncnc(N3CCN[C@H](C)C3)c12 ZINC000088060727 487700541 /nfs/dbraw/zinc/70/05/41/487700541.db2.gz YFLPONIEUZTGDK-SSDOTTSWSA-N 0 3 233.275 0.724 20 0 BCADHN C[C@@H](C(=O)N1CCNCC1(C)C)n1cncn1 ZINC000088138654 487705663 /nfs/dbraw/zinc/70/56/63/487705663.db2.gz NWVTWMQSCKPSEY-VIFPVBQESA-N 0 3 237.307 0.050 20 0 BCADHN CN(C)C1(CNC(=O)CCCCO)CCC1 ZINC000097936294 487706412 /nfs/dbraw/zinc/70/64/12/487706412.db2.gz LQCLTFNMINDILY-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN CN1CCN(C(=O)N[C@@H]2CC2(C)C)[C@@H](CN)C1 ZINC000669403668 487708876 /nfs/dbraw/zinc/70/88/76/487708876.db2.gz YUWVEBPWCUKELA-VHSXEESVSA-N 0 3 240.351 0.069 20 0 BCADHN CCCC[C@@H](COC)N[C@@H]1COC[C@@H]1O ZINC000134398217 487710926 /nfs/dbraw/zinc/71/09/26/487710926.db2.gz WGWCIWJGAPIUEQ-AXFHLTTASA-N 0 3 217.309 0.541 20 0 BCADHN C[C@H](N[C@@H]1CCCN(C)C1)c1ccc(=O)[nH]n1 ZINC000671742460 487718120 /nfs/dbraw/zinc/71/81/20/487718120.db2.gz RUQYUIUUYDMYQZ-VHSXEESVSA-N 0 3 236.319 0.927 20 0 BCADHN Cc1n[nH]c(C)c1NC(=O)COC1(C)CNC1 ZINC000098060389 487717915 /nfs/dbraw/zinc/71/79/15/487717915.db2.gz BAKUDKAGSHVRRO-UHFFFAOYSA-N 0 3 238.291 0.344 20 0 BCADHN C[C@@H]1CN(C(=O)COC2(C)CNC2)[C@@H](C)CO1 ZINC000098061058 487719210 /nfs/dbraw/zinc/71/92/10/487719210.db2.gz BGCMHLISCWGQGS-VHSXEESVSA-N 0 3 242.319 0.001 20 0 BCADHN CCn1cc(NC(=O)COC2(C)CNC2)cn1 ZINC000098061032 487719288 /nfs/dbraw/zinc/71/92/88/487719288.db2.gz SPQSFAZYPBVHLE-UHFFFAOYSA-N 0 3 238.291 0.220 20 0 BCADHN CC1(OCC(=O)NC[C@]2(C)CCCO2)CNC1 ZINC000098061376 487719360 /nfs/dbraw/zinc/71/93/60/487719360.db2.gz BSGGYSJLVJHPNH-NSHDSACASA-N 0 3 242.319 0.050 20 0 BCADHN Cc1ccc(CNC(=O)COC2(C)CNC2)cn1 ZINC000098061651 487720055 /nfs/dbraw/zinc/72/00/55/487720055.db2.gz LZWRQDGVESSNHR-UHFFFAOYSA-N 0 3 249.314 0.385 20 0 BCADHN CN(Cc1cccnc1)C(=O)COC1(C)CNC1 ZINC000098061790 487720757 /nfs/dbraw/zinc/72/07/57/487720757.db2.gz DPENTNGJWIANDD-UHFFFAOYSA-N 0 3 249.314 0.419 20 0 BCADHN Cc1c[nH]nc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000669597201 487722904 /nfs/dbraw/zinc/72/29/04/487722904.db2.gz BAWCFAGCTPYKAG-VIFPVBQESA-N 0 3 222.292 0.400 20 0 BCADHN CN(C[C@@H]1CCOC1)C(=O)CNC1CC1 ZINC000154604444 487723107 /nfs/dbraw/zinc/72/31/07/487723107.db2.gz MJEWZCCJQVDUST-VIFPVBQESA-N 0 3 212.293 0.233 20 0 BCADHN CCOCCNC(=O)[C@H]1NCC1(C)C ZINC000308894071 487722762 /nfs/dbraw/zinc/72/27/62/487722762.db2.gz YVNDIJQKRNCPRC-MRVPVSSYSA-N 0 3 200.282 0.137 20 0 BCADHN C[C@@H](CNc1ncnc2c1OCCN2)N(C)C ZINC000665695086 487733353 /nfs/dbraw/zinc/73/33/53/487733353.db2.gz PSCGJRAVYYPJLH-QMMMGPOBSA-N 0 3 237.307 0.643 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H]1CC12CCC2 ZINC000681123576 487734543 /nfs/dbraw/zinc/73/45/43/487734543.db2.gz ZJAPDDAPZOXICX-NSHDSACASA-N 0 3 240.347 0.607 20 0 BCADHN CCN1CCC[C@H]1CNCc1ncnn1CC ZINC000088588813 487737870 /nfs/dbraw/zinc/73/78/70/487737870.db2.gz LEHUHXYJXKSFBF-NSHDSACASA-N 0 3 237.351 0.872 20 0 BCADHN CC(C)NCC(=O)N[C@H](CO)C1CCC1 ZINC000662853594 487739216 /nfs/dbraw/zinc/73/92/16/487739216.db2.gz QVGXKNYVYWFGFH-SNVBAGLBSA-N 0 3 214.309 0.262 20 0 BCADHN CC[C@H](O)CN1CCN(c2ccncc2)CC1 ZINC000675499982 487742904 /nfs/dbraw/zinc/74/29/04/487742904.db2.gz VTXSDPRZPNKZDP-ZDUSSCGKSA-N 0 3 235.331 0.975 20 0 BCADHN CN(C[C@H](O)C(C)(C)C)C[C@H]1COCCO1 ZINC000661609534 487747457 /nfs/dbraw/zinc/74/74/57/487747457.db2.gz BBAPRBLSMKWNMD-QWRGUYRKSA-N 0 3 231.336 0.741 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1OCC[C@@H]1N)c1ccccn1 ZINC000638401934 487749603 /nfs/dbraw/zinc/74/96/03/487749603.db2.gz HDKWCEACUHYSKM-JFGNBEQYSA-N 0 3 249.314 0.418 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H](O)[C@H]1C)N(C)C ZINC000665926190 487751505 /nfs/dbraw/zinc/75/15/05/487751505.db2.gz MLLAAMMLXMYMQM-OPRDCNLKSA-N 0 3 214.309 0.308 20 0 BCADHN CC[C@@](C)(N)c1cn(C(COC)COC)nn1 ZINC000384935878 487754837 /nfs/dbraw/zinc/75/48/37/487754837.db2.gz IHIUGZKMVBSAGS-LLVKDONJSA-N 0 3 242.323 0.696 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)C(C)(C)O)N(C)C ZINC000665749394 487755703 /nfs/dbraw/zinc/75/57/03/487755703.db2.gz YEBLMOYSYYYOGG-RKDXNWHRSA-N 0 3 216.325 0.602 20 0 BCADHN C[C@H]1CN(C[C@@H]2CCC(=O)N2)CCCO1 ZINC000649506554 487756799 /nfs/dbraw/zinc/75/67/99/487756799.db2.gz REQAOWVJEDJTDW-UWVGGRQHSA-N 0 3 212.293 0.376 20 0 BCADHN CO[C@@H](C)CNC(=O)N(C)CCN(C)C1CC1 ZINC000666220048 487760147 /nfs/dbraw/zinc/76/01/47/487760147.db2.gz OIQGCQQXCFJSMK-JTQLQIEISA-N 0 3 243.351 0.757 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CC[C@@H](OC)C1 ZINC000234046585 487759874 /nfs/dbraw/zinc/75/98/74/487759874.db2.gz LMPLAKVUFQPQNK-HLTSFMKQSA-N 0 3 200.282 0.407 20 0 BCADHN CC(C)CN1CCN(C(=O)[C@H](C)N(C)C)CC1 ZINC000674266814 487764159 /nfs/dbraw/zinc/76/41/59/487764159.db2.gz YUZCPNWTSNWINH-LBPRGKRZSA-N 0 3 241.379 0.737 20 0 BCADHN CC[C@H](N)c1cn(C(COC)COC)nn1 ZINC000385069569 487764176 /nfs/dbraw/zinc/76/41/76/487764176.db2.gz VZZZHAKWOWROMI-VIFPVBQESA-N 0 3 228.296 0.522 20 0 BCADHN CN(CCc1c[nH]nn1)Cc1cnn(C)c1 ZINC000659816858 487767070 /nfs/dbraw/zinc/76/70/70/487767070.db2.gz FMPQLYXQQHEMLZ-UHFFFAOYSA-N 0 3 220.280 0.213 20 0 BCADHN CO[C@H](C(=O)NC[C@@H](C)N(C)C)[C@H]1CCOC1 ZINC000666243356 487768119 /nfs/dbraw/zinc/76/81/19/487768119.db2.gz GUCNYXUDTHNDCM-VWYCJHECSA-N 0 3 244.335 0.104 20 0 BCADHN C[C@H](CNC(=O)C(C)(C)n1cccn1)N(C)C ZINC000666244097 487768789 /nfs/dbraw/zinc/76/87/89/487768789.db2.gz RKBUUHUSUMDKLY-SNVBAGLBSA-N 0 3 238.335 0.685 20 0 BCADHN CCN(C)CCNc1nc(C)nc(N(C)C)n1 ZINC000675720716 487769351 /nfs/dbraw/zinc/76/93/51/487769351.db2.gz IWIBACNGGQFBBD-UHFFFAOYSA-N 0 3 238.339 0.610 20 0 BCADHN CN(CCO)CCNC(=O)C1CCCC1 ZINC000754009118 585275073 /nfs/dbraw/zinc/27/50/73/585275073.db2.gz LPHIJMLGOFOGEL-UHFFFAOYSA-N 0 3 214.309 0.217 20 0 BCADHN C[C@H]1CCN(CCNC(=O)C2(O)CCC2)C1 ZINC000681299944 487771297 /nfs/dbraw/zinc/77/12/97/487771297.db2.gz MRXVXNBRXLBHSY-JTQLQIEISA-N 0 3 226.320 0.359 20 0 BCADHN CC(C)[C@H]1CCN(CCS(N)(=O)=O)C1 ZINC000755994379 585312082 /nfs/dbraw/zinc/31/20/82/585312082.db2.gz FVJARKAMQXRTHM-VIFPVBQESA-N 0 3 220.338 0.253 20 0 BCADHN C[NH2+]C[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000662965126 487773856 /nfs/dbraw/zinc/77/38/56/487773856.db2.gz MACRLAHSMMOWIC-SSDOTTSWSA-N 0 3 233.275 0.296 20 0 BCADHN C[C@@H]1CN(C[C@H]2CNCCO2)[C@H](C)CO1 ZINC000251605754 487775856 /nfs/dbraw/zinc/77/58/56/487775856.db2.gz GNNGCVRRCAIGQZ-GMTAPVOTSA-N 0 3 214.309 0.084 20 0 BCADHN CC[C@H](C(=O)NCc1cc(C)n[nH]1)N(C)C ZINC000675796436 487780183 /nfs/dbraw/zinc/78/01/83/487780183.db2.gz BBTMZGPPDKSHOG-SNVBAGLBSA-N 0 3 224.308 0.675 20 0 BCADHN CC[C@H](C(=O)NCc1cc(C)[nH]n1)N(C)C ZINC000675796436 487780186 /nfs/dbraw/zinc/78/01/86/487780186.db2.gz BBTMZGPPDKSHOG-SNVBAGLBSA-N 0 3 224.308 0.675 20 0 BCADHN CCc1cc(=O)[n-]c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000359317674 487786973 /nfs/dbraw/zinc/78/69/73/487786973.db2.gz XNWGQWHKSPNTAV-UWVGGRQHSA-N 0 3 248.330 0.396 20 0 BCADHN C[C@H](N)C(=O)NCC1(CO)CCCCC1 ZINC000162567191 487787314 /nfs/dbraw/zinc/78/73/14/487787314.db2.gz FAFAMQUKYQMUHF-VIFPVBQESA-N 0 3 214.309 0.393 20 0 BCADHN CCOC1CCN(CCN2CCNC2=O)CC1 ZINC000675899085 487790610 /nfs/dbraw/zinc/79/06/10/487790610.db2.gz BFNYEFIMURVYCY-UHFFFAOYSA-N 0 3 241.335 0.513 20 0 BCADHN O=C1NCCC[C@@H]1N1CCC[C@@H](n2ccnc2)C1 ZINC000675958846 487796536 /nfs/dbraw/zinc/79/65/36/487796536.db2.gz CMPNUPKDGDBPDA-NEPJUHHUSA-N 0 3 248.330 0.799 20 0 BCADHN NC(=O)NC(=O)CCN[C@@H]1CCCC[C@H]1F ZINC000591770990 487799439 /nfs/dbraw/zinc/79/94/39/487799439.db2.gz DRHJVDZDXOBDAK-HTQZYQBOSA-N 0 3 231.271 0.442 20 0 BCADHN CC[C@@H]1COCCN1C[C@H]1CNCCO1 ZINC000251809007 487800937 /nfs/dbraw/zinc/80/09/37/487800937.db2.gz OLUHVUHFEZEXNG-GHMZBOCLSA-N 0 3 214.309 0.086 20 0 BCADHN CC(C)c1nnc(N[C@@H](C)CN(C)C)o1 ZINC000450534721 487801608 /nfs/dbraw/zinc/80/16/08/487801608.db2.gz HMVPZOWOVHRRPS-QMMMGPOBSA-N 0 3 212.297 1.555 20 0 BCADHN CCN1CCCN(C(=O)[C@@H](O)C2CC2)CC1 ZINC000668475845 487802116 /nfs/dbraw/zinc/80/21/16/487802116.db2.gz SBZWKNOQMWCKFC-NSHDSACASA-N 0 3 226.320 0.312 20 0 BCADHN O[C@@H]1[C@@H](N[C@H]2CCOC2)CCCC1(F)F ZINC000414292462 487802924 /nfs/dbraw/zinc/80/29/24/487802924.db2.gz BDNSRROAARHXRL-XHNCKOQMSA-N 0 3 221.247 0.914 20 0 BCADHN COC[C@@H](OC)C(=O)NCCN1CCCCC1 ZINC000666424510 487804879 /nfs/dbraw/zinc/80/48/79/487804879.db2.gz PSYKOKKKWAVLSI-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCOCCF ZINC000663005889 487805156 /nfs/dbraw/zinc/80/51/56/487805156.db2.gz ZJXPBCJDUPECGV-VIFPVBQESA-N 0 3 220.288 0.462 20 0 BCADHN O=C(NCCN1CCCCC1)[C@@H](O)C1CC1 ZINC000666424056 487805319 /nfs/dbraw/zinc/80/53/19/487805319.db2.gz BIMASZRXLYRQPG-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000300527189 487808171 /nfs/dbraw/zinc/80/81/71/487808171.db2.gz CUPXJWXPTWTIIW-PELKAZGASA-N 0 3 241.335 0.084 20 0 BCADHN O=C(Cn1ccnc1)N1CC[C@H](N2CCCC2)C1 ZINC000558645687 487810696 /nfs/dbraw/zinc/81/06/96/487810696.db2.gz IDRYXSWZKGKLCX-LBPRGKRZSA-N 0 3 248.330 0.580 20 0 BCADHN Cc1cc(C(=O)N2CCNCC2(C)C)nn1C ZINC000301653596 487811056 /nfs/dbraw/zinc/81/10/56/487811056.db2.gz DJJOXTVPMVZJHA-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN CC(C)(O)CC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000684277319 487814388 /nfs/dbraw/zinc/81/43/88/487814388.db2.gz BXGMYBWPUNKVSA-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1nc(C(=O)NC[C@](C)(O)CN(C)C)co1 ZINC000681552283 487814731 /nfs/dbraw/zinc/81/47/31/487814731.db2.gz FPUIVJRRAHSVLL-NSHDSACASA-N 0 3 241.291 0.025 20 0 BCADHN COC[C@@H](CO)NCc1c(C)nc2ccccn21 ZINC000229078498 487815815 /nfs/dbraw/zinc/81/58/15/487815815.db2.gz YLVOKXJYBRRABT-LLVKDONJSA-N 0 3 249.314 0.740 20 0 BCADHN O=S(=O)(CC1CC1)NCCNC1CC1 ZINC000083141072 487816544 /nfs/dbraw/zinc/81/65/44/487816544.db2.gz HLYMHHRJWKEJLE-UHFFFAOYSA-N 0 3 218.322 0.068 20 0 BCADHN C[C@H](O)CN(C)Cc1ccc(N(C)C)nc1 ZINC000681569433 487816871 /nfs/dbraw/zinc/81/68/71/487816871.db2.gz ZHYUIIWZOXOMMT-JTQLQIEISA-N 0 3 223.320 0.960 20 0 BCADHN CO[C@@H]1C[C@H](NC(=O)CNC2CC2)C1(C)C ZINC000229088658 487818019 /nfs/dbraw/zinc/81/80/19/487818019.db2.gz PJINFVQHZYZDEZ-VHSXEESVSA-N 0 3 226.320 0.668 20 0 BCADHN C[C@H](O)CN[C@H]1C[C@@H]2CCCCN2C1=O ZINC000564860979 322943050 /nfs/dbraw/zinc/94/30/50/322943050.db2.gz ZIUIGAQNFRVOQK-GUBZILKMSA-N 0 3 212.293 0.110 20 0 BCADHN C[C@H](CO)CN1CC[C@@H](n2cncn2)C1 ZINC000681606168 487824607 /nfs/dbraw/zinc/82/46/07/487824607.db2.gz KXLONCJWUBIXPK-VHSXEESVSA-N 0 3 210.281 0.153 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CC[C@H](n2cncn2)C1 ZINC000681628979 487826535 /nfs/dbraw/zinc/82/65/35/487826535.db2.gz QLIGXDPLNLHSBD-QWRGUYRKSA-N 0 3 249.318 0.146 20 0 BCADHN CN(C)CCNC(=O)c1coc(C2CC2)n1 ZINC000681631030 487826714 /nfs/dbraw/zinc/82/67/14/487826714.db2.gz GWSYMTBUPZWXMD-UHFFFAOYSA-N 0 3 223.276 0.843 20 0 BCADHN CN(CCCO)C[C@H]1CC2(CC2)C(=O)O1 ZINC000799364783 586174171 /nfs/dbraw/zinc/17/41/71/586174171.db2.gz MRIDVCTXOPYGMX-SECBINFHSA-N 0 3 213.277 0.396 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCCOC[C@H]1C ZINC000673186409 487831199 /nfs/dbraw/zinc/83/11/99/487831199.db2.gz BVWBCNPREYELGS-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN CC(Cl)(Cl)C(=O)[N-][C@@H]1CC[NH2+]C1 ZINC000818561384 586901189 /nfs/dbraw/zinc/90/11/89/586901189.db2.gz CGFRMGBQZOKWRN-RXMQYKEDSA-N 0 3 211.092 0.658 20 0 BCADHN CC(C)OC(=O)NC[C@@H]1CCCCN1CCO ZINC000496240878 527823892 /nfs/dbraw/zinc/82/38/92/527823892.db2.gz ZWCGQRBNZGHYHT-NSHDSACASA-N 0 3 244.335 0.968 20 0 BCADHN CC(C)[C@H]1CN(CCOCCO)CCN1C ZINC000487948510 527854778 /nfs/dbraw/zinc/85/47/78/527854778.db2.gz DRTQZUJKYFYVFQ-GFCCVEGCSA-N 0 3 230.352 0.267 20 0 BCADHN C[C@@H]1C[C@H](NCCNC(=O)[O-])CC[N@@H+]1C ZINC000825853101 587340622 /nfs/dbraw/zinc/34/06/22/587340622.db2.gz TXNATWAJKUQVPE-RKDXNWHRSA-N 0 3 215.297 0.326 20 0 BCADHN C[C@@H]1C[C@H](NCCNC(=O)[O-])CC[N@H+]1C ZINC000825853101 587340624 /nfs/dbraw/zinc/34/06/24/587340624.db2.gz TXNATWAJKUQVPE-RKDXNWHRSA-N 0 3 215.297 0.326 20 0 BCADHN CC(C)N1CCCN(CC[S@](C)=O)CC1 ZINC000827870425 587406385 /nfs/dbraw/zinc/40/63/85/587406385.db2.gz IKWFBSBMMCFJQS-HNNXBMFYSA-N 0 3 232.393 0.781 20 0 BCADHN CN(CC[S@](C)=O)C[C@H]1CCCN(C)C1 ZINC000827878464 587407280 /nfs/dbraw/zinc/40/72/80/587407280.db2.gz WUXYTDZKRBGIKC-NHYWBVRUSA-N 0 3 232.393 0.639 20 0 BCADHN COCCCNC(=O)CN1C[C@H](C)[C@H](C)C1 ZINC000076112657 487832932 /nfs/dbraw/zinc/83/29/32/487832932.db2.gz QFJUJDINUAFTGA-PHIMTYICSA-N 0 3 228.336 0.727 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@@H]1COCC1(C)C ZINC000313067994 322946869 /nfs/dbraw/zinc/94/68/69/322946869.db2.gz QYNYWJVQLVYCLW-VHSXEESVSA-N 0 3 228.336 0.916 20 0 BCADHN CCNC(=O)OC[C@H]1CCCCN1CCCO ZINC000495746466 528187199 /nfs/dbraw/zinc/18/71/99/528187199.db2.gz DMEYHXYWTXZISE-LLVKDONJSA-N 0 3 244.335 0.969 20 0 BCADHN C[C@@H]1CCC[C@H](CNC(=O)NCCN(C)C)O1 ZINC000666594236 487836027 /nfs/dbraw/zinc/83/60/27/487836027.db2.gz WXKVGKLJOCKPRJ-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CCCOC1 ZINC000843430911 588109321 /nfs/dbraw/zinc/10/93/21/588109321.db2.gz RUMHOMWFWWMIAE-SECBINFHSA-N 0 3 216.281 0.165 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2cnn3c2CCC3)C1 ZINC000668097431 487837137 /nfs/dbraw/zinc/83/71/37/487837137.db2.gz IAQAAUQDXSQMEW-ZDUSSCGKSA-N 0 3 248.330 0.527 20 0 BCADHN COCOCCCNC(=O)CN(C)C(C)C ZINC000848172774 588364937 /nfs/dbraw/zinc/36/49/37/588364937.db2.gz ORLOTRXQUWJQLG-UHFFFAOYSA-N 0 3 232.324 0.453 20 0 BCADHN CN(CCOC(C)(C)C)C[C@H]1CNCCO1 ZINC000164504408 487841465 /nfs/dbraw/zinc/84/14/65/487841465.db2.gz KJKNDPVXDUGIFX-LLVKDONJSA-N 0 3 230.352 0.722 20 0 BCADHN CC1(C)OC[C@H](CN2CC[C@H](O)C2)O1 ZINC000851751710 588623776 /nfs/dbraw/zinc/62/37/76/588623776.db2.gz SBDQGILQKXAORI-IUCAKERBSA-N 0 3 201.266 0.205 20 0 BCADHN C[C@H]1COCCCN1CCN1CCNC1=O ZINC000676365724 487842485 /nfs/dbraw/zinc/84/24/85/487842485.db2.gz BTYYWXZSPVDUBB-JTQLQIEISA-N 0 3 227.308 0.122 20 0 BCADHN CCN(C[C@@H](O)C(F)(F)F)C[C@H](C)CO ZINC000681697989 487843117 /nfs/dbraw/zinc/84/31/17/487843117.db2.gz MKCFLRXZMSFJDG-JGVFFNPUSA-N 0 3 229.242 0.860 20 0 BCADHN CCN(C(=O)/C=C\CN(C)C)[C@H]1CCOC1 ZINC000493837688 528909132 /nfs/dbraw/zinc/90/91/32/528909132.db2.gz PTHNSHIRMYFQGW-GZTOBOFZSA-N 0 3 226.320 0.742 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@@H](N)CC(F)F)C1 ZINC000389891710 487844630 /nfs/dbraw/zinc/84/46/30/487844630.db2.gz OAPRNXBACKJOBY-IUCAKERBSA-N 0 3 249.305 0.569 20 0 BCADHN C[C@@H](CO)CN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000681708900 487845547 /nfs/dbraw/zinc/84/55/47/487845547.db2.gz JTHCYZPFJWIKLZ-BBBLOLIVSA-N 0 3 214.309 0.201 20 0 BCADHN CC[C@H](OC)C(=O)N[C@H](CN)C(F)(F)F ZINC000655510735 487845994 /nfs/dbraw/zinc/84/59/94/487845994.db2.gz SREXTPVAYRGITF-NTSWFWBYSA-N 0 3 228.214 0.417 20 0 BCADHN CC[C@H](N)C(=O)N(CC)[C@@H]1CCCOC1 ZINC000402711753 487846684 /nfs/dbraw/zinc/84/66/84/487846684.db2.gz RXWHMJZEOMPURX-ZJUUUORDSA-N 0 3 214.309 0.751 20 0 BCADHN CCN(CCn1cnnn1)C[C@H](C)OC ZINC000878638633 590598988 /nfs/dbraw/zinc/59/89/88/590598988.db2.gz UNTMAVUPEPONBQ-VIFPVBQESA-N 0 3 213.285 0.030 20 0 BCADHN O=C(CN1CC[C@H]2CCC[C@H]21)N1CCNC1=O ZINC000681710437 487847212 /nfs/dbraw/zinc/84/72/12/487847212.db2.gz SDLCHVFQUFKVIC-NXEZZACHSA-N 0 3 237.303 0.413 20 0 BCADHN CSC[C@H](O)CN1CCOCC[C@@H]1C ZINC000372294695 487847841 /nfs/dbraw/zinc/84/78/41/487847841.db2.gz LBUGYBXGKULQOX-VHSXEESVSA-N 0 3 219.350 0.821 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCOC2)CCN1CCO ZINC000681712437 487847918 /nfs/dbraw/zinc/84/79/18/487847918.db2.gz XBPWNHHADPIDRS-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN CC(C)C1CN(C[C@@H](O)Cn2cccn2)C1 ZINC000666145267 487850258 /nfs/dbraw/zinc/85/02/58/487850258.db2.gz OIZHWKSZNCFNAR-GFCCVEGCSA-N 0 3 223.320 0.832 20 0 BCADHN CCN(CCNC(=O)c1nccnc1C)C1CC1 ZINC000668152382 487852718 /nfs/dbraw/zinc/85/27/18/487852718.db2.gz JWXDOVIJRKDQRH-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN CO[C@@]1(CO)CCCN(Cc2cccn2C)C1 ZINC000668497392 487855340 /nfs/dbraw/zinc/85/53/40/487855340.db2.gz XBCFKEQSPZQKQC-ZDUSSCGKSA-N 0 3 238.331 0.998 20 0 BCADHN C[C@@H]1CN(C[C@H]2CNCCO2)C[C@H](C)S1 ZINC000226682833 487857632 /nfs/dbraw/zinc/85/76/32/487857632.db2.gz GXPMSKBXEJMHPY-OUAUKWLOSA-N 0 3 230.377 0.801 20 0 BCADHN C[C@@H]1CN(Cc2ccc(N)nc2)CC[C@H]1O ZINC000253175929 487857280 /nfs/dbraw/zinc/85/72/80/487857280.db2.gz FQARZVGRYPDGGC-MWLCHTKSSA-N 0 3 221.304 0.867 20 0 BCADHN COC[C@H](C)NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000668166505 487859246 /nfs/dbraw/zinc/85/92/46/487859246.db2.gz SUYIWALOADVCER-LPEHRKFASA-N 0 3 229.324 0.413 20 0 BCADHN CSc1ccnc(N2CCN[C@@H](C)C2)n1 ZINC000386507031 487859386 /nfs/dbraw/zinc/85/93/86/487859386.db2.gz VHCPQBNDLBALPP-QMMMGPOBSA-N 0 3 224.333 0.997 20 0 BCADHN CC[C@H](CO)NC[C@@H](O)C(F)(F)F ZINC000082680768 487862633 /nfs/dbraw/zinc/86/26/33/487862633.db2.gz VVYQWASMDNIJJU-PHDIDXHHSA-N 0 3 201.188 0.270 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1N[C@@H](C)CC1CC1 ZINC000668507021 487862683 /nfs/dbraw/zinc/86/26/83/487862683.db2.gz MQYFBMFTCIZSJO-JMJZKYOTSA-N 0 3 247.360 0.577 20 0 BCADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC1CC(C)C1 ZINC000668506966 487863251 /nfs/dbraw/zinc/86/32/51/487863251.db2.gz LZOSJYKLJAHJHM-BMNUFHGDSA-N 0 3 233.333 0.187 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCCOCC1CC1 ZINC000645952901 487862955 /nfs/dbraw/zinc/86/29/55/487862955.db2.gz QDQXBDAFNKLHRK-SNVBAGLBSA-N 0 3 226.320 0.527 20 0 BCADHN CC[C@@H](O)CN1CCCNC(=O)[C@@H]1CC ZINC000933225317 640683990 /nfs/dbraw/zinc/68/39/90/640683990.db2.gz QUAXAJZLTOSZNH-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN COC[C@@H](CNCc1ccc(CO)cc1)OC ZINC000234709250 487865968 /nfs/dbraw/zinc/86/59/68/487865968.db2.gz VPOOLOVBTUQEIQ-CYBMUJFWSA-N 0 3 239.315 0.930 20 0 BCADHN CCOCCN(C)c1cc(C)nc(N)n1 ZINC000087979956 641206267 /nfs/dbraw/zinc/20/62/67/641206267.db2.gz GTLHUXHHZURFOW-UHFFFAOYSA-N 0 3 210.281 0.840 20 0 BCADHN CN1C[C@H]2CCN(Cc3cnn4c3CCC4)[C@H]2C1 ZINC000668186942 487868773 /nfs/dbraw/zinc/86/87/73/487868773.db2.gz UCENNUSSNZQSQS-RISCZKNCSA-N 0 3 246.358 0.965 20 0 BCADHN CN1C[C@H]2CCN(Cc3cnc4n3CCC4)[C@@H]2C1 ZINC000668186517 487868703 /nfs/dbraw/zinc/86/87/03/487868703.db2.gz KWEIDMPLJANZMY-DGCLKSJQSA-N 0 3 246.358 0.965 20 0 BCADHN CCCN(C)CC(=O)N1CCCOC[C@@H]1C ZINC000676537641 487869992 /nfs/dbraw/zinc/86/99/92/487869992.db2.gz XLVRPRMOHXKASL-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN C[C@H](C1CC1)N(C)CCN1CCCS1(=O)=O ZINC000676539488 487870792 /nfs/dbraw/zinc/87/07/92/487870792.db2.gz IOZIDJPQZCQJIA-SNVBAGLBSA-N 0 3 246.376 0.752 20 0 BCADHN CC(C)CC[C@@H](O)CN1CC(C)(C(N)=O)C1 ZINC000569358406 322963890 /nfs/dbraw/zinc/96/38/90/322963890.db2.gz ZSBPBNNDFWZOFK-SNVBAGLBSA-N 0 3 228.336 0.591 20 0 BCADHN C[C@@H](CO)CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000682030858 487883275 /nfs/dbraw/zinc/88/32/75/487883275.db2.gz DMWFOHOPHFMGFC-VXGBXAGGSA-N 0 3 244.379 0.392 20 0 BCADHN CCCN1CC[C@H](NC(=O)N(C)[C@@H](C)CO)C1 ZINC000666922589 487883988 /nfs/dbraw/zinc/88/39/88/487883988.db2.gz UOFRVKGTBLPHPI-QWRGUYRKSA-N 0 3 243.351 0.493 20 0 BCADHN CC1(CN2CCN(CCO)C(C)(C)C2)COC1 ZINC000682035850 487887259 /nfs/dbraw/zinc/88/72/59/487887259.db2.gz SUEXJMHEVJVMEB-UHFFFAOYSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@H](CO)CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000682043371 487889118 /nfs/dbraw/zinc/88/91/18/487889118.db2.gz QUXMEBURZPFIHM-NWDGAFQWSA-N 0 3 244.379 0.392 20 0 BCADHN NCc1cn(Cc2ccc3c(c2)OCO3)nn1 ZINC000050224745 487896540 /nfs/dbraw/zinc/89/65/40/487896540.db2.gz GBYLQRKGZHCEDO-UHFFFAOYSA-N 0 3 232.243 0.514 20 0 BCADHN NC[C@H](NC(=O)Cc1ccon1)C(F)(F)F ZINC000655516378 487897515 /nfs/dbraw/zinc/89/75/15/487897515.db2.gz ULVRIELZKMCVTL-LURJTMIESA-N 0 3 237.181 0.223 20 0 BCADHN C[C@@H]1COCCCN1CCn1cccn1 ZINC000676711192 487898406 /nfs/dbraw/zinc/89/84/06/487898406.db2.gz BQHNZVBKCBZWPN-LLVKDONJSA-N 0 3 209.293 0.994 20 0 BCADHN COC[C@H](C)CN1CCN([C@H]2CCOC2)CC1 ZINC000668535655 487898570 /nfs/dbraw/zinc/89/85/70/487898570.db2.gz NYRJCGKWTKVIIO-OLZOCXBDSA-N 0 3 242.363 0.675 20 0 BCADHN C[C@H]1COCCCN1C[C@@H](O)Cn1cccn1 ZINC000676712853 487898903 /nfs/dbraw/zinc/89/89/03/487898903.db2.gz NKGFPVXEBSWGTK-NWDGAFQWSA-N 0 3 239.319 0.355 20 0 BCADHN O[C@@H]1CN([C@H]2CCc3ccccc32)C[C@@H]1O ZINC000682075690 487899736 /nfs/dbraw/zinc/89/97/36/487899736.db2.gz ZCUIMJWBSCJYRL-RWMBFGLXSA-N 0 3 219.284 0.711 20 0 BCADHN O=C(CN1CCCCC[C@@H]1CO)N1CCCC1 ZINC000157059399 487900842 /nfs/dbraw/zinc/90/08/42/487900842.db2.gz CRBJSGRGHJOWGI-GFCCVEGCSA-N 0 3 240.347 0.846 20 0 BCADHN O=C1NCCN1CCN1CCCCC[C@H]1CO ZINC000157058214 487901430 /nfs/dbraw/zinc/90/14/30/487901430.db2.gz JCEYZIFGGIMTOF-NSHDSACASA-N 0 3 241.335 0.249 20 0 BCADHN O[C@H](COC1CCOCC1)CN1CC=CCC1 ZINC000679323680 487904625 /nfs/dbraw/zinc/90/46/25/487904625.db2.gz TVOJHTRIOCNGIB-LBPRGKRZSA-N 0 3 241.331 0.805 20 0 BCADHN CCCNC(=O)[C@H](C)N1CCC[C@@H]([C@@H](C)O)C1 ZINC000676721246 487905251 /nfs/dbraw/zinc/90/52/51/487905251.db2.gz OXSUUSQBNWWWNH-QJPTWQEYSA-N 0 3 242.363 0.994 20 0 BCADHN CN(Cc1nccn1C)CC1CN(C)C1 ZINC000668539769 487905285 /nfs/dbraw/zinc/90/52/85/487905285.db2.gz LIAMOUDZQVKMLZ-UHFFFAOYSA-N 0 3 208.309 0.414 20 0 BCADHN CCCN1CC[C@H](NC(=O)N[C@H]2C[C@@H](O)C2)C1 ZINC000666921025 487905492 /nfs/dbraw/zinc/90/54/92/487905492.db2.gz KTWCTEOVVAVTGO-GARJFASQSA-N 0 3 241.335 0.293 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NCCCCO)C1 ZINC000666923269 487905803 /nfs/dbraw/zinc/90/58/03/487905803.db2.gz HQXAYZHAFHTZJM-LLVKDONJSA-N 0 3 243.351 0.542 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N(C)C[C@@H](C)O)C1 ZINC000666922634 487906060 /nfs/dbraw/zinc/90/60/60/487906060.db2.gz VAOKKDNIFMJWGD-GHMZBOCLSA-N 0 3 243.351 0.493 20 0 BCADHN CCCN(C)CC(=O)N(C)[C@@H](C)CCO ZINC000652962431 487908125 /nfs/dbraw/zinc/90/81/25/487908125.db2.gz MAWMWXJFJHWWIG-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN CCCN(C)CC(=O)N(C)[C@H](C)CCO ZINC000652962432 487908801 /nfs/dbraw/zinc/90/88/01/487908801.db2.gz MAWMWXJFJHWWIG-SNVBAGLBSA-N 0 3 216.325 0.558 20 0 BCADHN COc1cc(CNC[C@@H](O)CO)ccc1Cl ZINC000083374601 487909963 /nfs/dbraw/zinc/90/99/63/487909963.db2.gz NJWMKRVXBXLEOT-SECBINFHSA-N 0 3 245.706 0.791 20 0 BCADHN CCn1cc(CNC[C@@H]2C[C@H](F)CN2)cn1 ZINC000666945387 487910021 /nfs/dbraw/zinc/91/00/21/487910021.db2.gz NEFGKNRISQWSJS-QWRGUYRKSA-N 0 3 226.299 0.693 20 0 BCADHN CCC[C@H](C)NC(=O)N1CCOC2(CNC2)C1 ZINC000668541208 487910957 /nfs/dbraw/zinc/91/09/57/487910957.db2.gz IYHBGULKGZVXGR-JTQLQIEISA-N 0 3 241.335 0.559 20 0 BCADHN CCC[C@H](C)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000668541216 487911244 /nfs/dbraw/zinc/91/12/44/487911244.db2.gz JCUGXDTVGDOYOT-QWRGUYRKSA-N 0 3 242.367 0.459 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000157423416 487912834 /nfs/dbraw/zinc/91/28/34/487912834.db2.gz OVJANKZWGBZHCZ-GXSJLCMTSA-N 0 3 238.335 0.971 20 0 BCADHN CCN(CC[C@@H]1CCOC1)CC(=O)N(C)C ZINC000682152342 487914045 /nfs/dbraw/zinc/91/40/45/487914045.db2.gz ZFYVLQDPTQMHIY-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CC(C)C[C@@H](N)C(=O)Nc1cccn(C)c1=O ZINC000157585020 487914863 /nfs/dbraw/zinc/91/48/63/487914863.db2.gz KAEGVAOOZGCYHX-SECBINFHSA-N 0 3 237.303 0.697 20 0 BCADHN CCC[C@H](O)CC(=O)N[C@@H]1CCCN(C)C1 ZINC000676750340 487916323 /nfs/dbraw/zinc/91/63/23/487916323.db2.gz VTXJWHWCTBPDCR-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN CCC[C@@H](O)CC(=O)N[C@@H]1CCCN(C)C1 ZINC000676750339 487916291 /nfs/dbraw/zinc/91/62/91/487916291.db2.gz VTXJWHWCTBPDCR-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)C1(N)CCCC1 ZINC000157699227 487918986 /nfs/dbraw/zinc/91/89/86/487918986.db2.gz NJKIUNVRJOGVHI-SECBINFHSA-N 0 3 214.309 0.487 20 0 BCADHN Cn1ccc(CN2CCC(O)(CO)CC2)c1 ZINC000668548230 487919805 /nfs/dbraw/zinc/91/98/05/487919805.db2.gz HGHNZWWPXVXOFZ-UHFFFAOYSA-N 0 3 224.304 0.344 20 0 BCADHN CC[C@H](C)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673512100 487920456 /nfs/dbraw/zinc/92/04/56/487920456.db2.gz XTYRBOHLZATFDU-QJPTWQEYSA-N 0 3 240.347 0.700 20 0 BCADHN CCC[C@H](O)CC(=O)N(C)CCN(C)C ZINC000676755491 487920249 /nfs/dbraw/zinc/92/02/49/487920249.db2.gz MRBQQOGFBOMYAN-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN CN(C)C(=O)CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124496297 487924008 /nfs/dbraw/zinc/92/40/08/487924008.db2.gz NVTDCELLISMLPX-TUAOUCFPSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](C(=O)N1CC[C@@H]2CCN(C)C[C@H]21)N(C)C ZINC000679354762 487927251 /nfs/dbraw/zinc/92/72/51/487927251.db2.gz ZNHZVHLGTLQRJQ-SDDRHHMPSA-N 0 3 239.363 0.489 20 0 BCADHN C[NH2+]Cc1ccccc1CNC(=O)c1c[n-]nn1 ZINC000404584731 487928339 /nfs/dbraw/zinc/92/83/39/487928339.db2.gz KINXMNMELPBHPW-UHFFFAOYSA-N 0 3 245.286 0.454 20 0 BCADHN C[NH2+]Cc1ccccc1CNC(=O)c1cnn[n-]1 ZINC000404584731 487928342 /nfs/dbraw/zinc/92/83/42/487928342.db2.gz KINXMNMELPBHPW-UHFFFAOYSA-N 0 3 245.286 0.454 20 0 BCADHN C[NH2+]Cc1ccccc1CNC(=O)c1cn[n-]n1 ZINC000404584731 487928345 /nfs/dbraw/zinc/92/83/45/487928345.db2.gz KINXMNMELPBHPW-UHFFFAOYSA-N 0 3 245.286 0.454 20 0 BCADHN c1n[nH]c2c1CCN(C[C@@H]1CCCO1)C2 ZINC000676792157 487929323 /nfs/dbraw/zinc/92/93/23/487929323.db2.gz KCJZIBZTKKUGCI-JTQLQIEISA-N 0 3 207.277 0.947 20 0 BCADHN CCOC[C@@H](O)CNCc1ccc(CO)cc1 ZINC000227473189 487930816 /nfs/dbraw/zinc/93/08/16/487930816.db2.gz XAVQIIMSFFXWEJ-ZDUSSCGKSA-N 0 3 239.315 0.666 20 0 BCADHN CC[C@H](C)CN(CCN(C)C)CC(=O)N(C)C ZINC000668558183 487931062 /nfs/dbraw/zinc/93/10/62/487931062.db2.gz YITLDKRGQKJDSA-LBPRGKRZSA-N 0 3 243.395 0.984 20 0 BCADHN Cn1cncc1CN1CCc2cn[nH]c2C1 ZINC000676798264 487932015 /nfs/dbraw/zinc/93/20/15/487932015.db2.gz SKXWBAGEDXLQNN-UHFFFAOYSA-N 0 3 217.276 0.702 20 0 BCADHN C[C@@H](CNC(=O)C[C@H]1CNCCO1)C1CC1 ZINC000158013391 487934353 /nfs/dbraw/zinc/93/43/53/487934353.db2.gz SJVIOKRLCJOCKQ-ONGXEEELSA-N 0 3 226.320 0.527 20 0 BCADHN C[C@@](O)(CO)CNCc1cccc2nccn21 ZINC000684536520 487937307 /nfs/dbraw/zinc/93/73/07/487937307.db2.gz IWBHFDKRZBDPQT-LBPRGKRZSA-N 0 3 235.287 0.167 20 0 BCADHN NC(=O)C[C@H]1CCN(Cc2ccccn2)C1 ZINC000676871324 487938480 /nfs/dbraw/zinc/93/84/80/487938480.db2.gz YKCJASLIVVYJHM-SNVBAGLBSA-N 0 3 219.288 0.779 20 0 BCADHN Cn1cncc1CN1CC[C@H](CC(N)=O)C1 ZINC000676870798 487938968 /nfs/dbraw/zinc/93/89/68/487938968.db2.gz BWNUCMPLLJYWFE-SECBINFHSA-N 0 3 222.292 0.117 20 0 BCADHN NC(=O)C[C@H]1CCN(Cc2ccncc2)C1 ZINC000676876737 487939455 /nfs/dbraw/zinc/93/94/55/487939455.db2.gz RPCWWGRNRAFHGG-LLVKDONJSA-N 0 3 219.288 0.779 20 0 BCADHN NC1(C(=O)NC[C@@H]2Cc3ccccc32)CC1 ZINC000083834678 487940953 /nfs/dbraw/zinc/94/09/53/487940953.db2.gz WPNKMTNARYGCBU-JTQLQIEISA-N 0 3 216.284 0.934 20 0 BCADHN Cc1csc(CCNC(=O)C2(N)CC2)n1 ZINC000083836064 487941179 /nfs/dbraw/zinc/94/11/79/487941179.db2.gz JLVGWMHKSCQTLH-UHFFFAOYSA-N 0 3 225.317 0.602 20 0 BCADHN C[C@@H](c1cnccn1)N1CC[C@H](CC(N)=O)C1 ZINC000676891820 487941785 /nfs/dbraw/zinc/94/17/85/487941785.db2.gz JDKQNCGQBOTLFZ-VHSXEESVSA-N 0 3 234.303 0.735 20 0 BCADHN NC(=O)C[C@H]1CCN(CCOCC(F)F)C1 ZINC000676898752 487943907 /nfs/dbraw/zinc/94/39/07/487943907.db2.gz VXGYOLRUBVMXGW-MRVPVSSYSA-N 0 3 236.262 0.465 20 0 BCADHN NC(=O)C[C@@H]1CCN(C[C@H](O)C(F)(F)F)C1 ZINC000676907795 487945828 /nfs/dbraw/zinc/94/58/28/487945828.db2.gz DFHAGHDIWDIOBP-BQBZGAKWSA-N 0 3 240.225 0.107 20 0 BCADHN C[C@@H](CO)CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000684626782 487949386 /nfs/dbraw/zinc/94/93/86/487949386.db2.gz AHCWHYPTLDVDLP-YPMHNXCESA-N 0 3 243.347 0.885 20 0 BCADHN CCCN(C[C@H](C)CO)[C@@H]1CC(=O)N(C)C1=O ZINC000669942600 487949872 /nfs/dbraw/zinc/94/98/72/487949872.db2.gz QPBJBGRLTNKBTN-VHSXEESVSA-N 0 3 242.319 0.084 20 0 BCADHN CN(CCNC(=O)CCc1ccon1)C1CC1 ZINC000667159119 487950859 /nfs/dbraw/zinc/95/08/59/487950859.db2.gz UVRQYFVAINIXHE-UHFFFAOYSA-N 0 3 237.303 0.818 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000682418184 487952728 /nfs/dbraw/zinc/95/27/28/487952728.db2.gz MUFCCBLLKLHCNW-GARJFASQSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H](C)N1 ZINC000153564657 487952768 /nfs/dbraw/zinc/95/27/68/487952768.db2.gz ABAIQDBCGSEHTQ-DTORHVGOSA-N 0 3 222.292 0.161 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H](C)N1 ZINC000153564657 487952774 /nfs/dbraw/zinc/95/27/74/487952774.db2.gz ABAIQDBCGSEHTQ-DTORHVGOSA-N 0 3 222.292 0.161 20 0 BCADHN O=C(CCc1ccon1)N[C@@H]1CCN(C2CC2)C1 ZINC000667183483 487955203 /nfs/dbraw/zinc/95/52/03/487955203.db2.gz ZXVWSCKEYHPYCH-LLVKDONJSA-N 0 3 249.314 0.960 20 0 BCADHN O=S1(=O)CCCN1CCN1C2CCC1CC2 ZINC000533454161 322820212 /nfs/dbraw/zinc/82/02/12/322820212.db2.gz UHBFGEACLLNUAD-UHFFFAOYSA-N 0 3 244.360 0.649 20 0 BCADHN CC(C)(C)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673519166 487956687 /nfs/dbraw/zinc/95/66/87/487956687.db2.gz ZVEFEEOCFFRPAB-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)(C)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673519164 487956699 /nfs/dbraw/zinc/95/66/99/487956699.db2.gz ZVEFEEOCFFRPAB-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN CN(C)CCN(C)C(=O)NCc1cc[nH]n1 ZINC000530630090 322888049 /nfs/dbraw/zinc/88/80/49/322888049.db2.gz VDPCHNQTZBGKQD-UHFFFAOYSA-N 0 3 225.296 0.113 20 0 BCADHN c1cn2nnnc2c(NCCN2CCCC2)n1 ZINC000530663533 322889430 /nfs/dbraw/zinc/88/94/30/322889430.db2.gz KSQXUXBDVCJHAT-UHFFFAOYSA-N 0 3 233.279 0.027 20 0 BCADHN O[C@@H](CNC[C@@H]1CCC[C@H]1O)C(F)(F)F ZINC000084237050 322912281 /nfs/dbraw/zinc/91/22/81/322912281.db2.gz VFHMGIOCZCUSOP-RNJXMRFFSA-N 0 3 227.226 0.660 20 0 BCADHN CC[C@@H](N)C(=O)N(CC)c1cnn(C)c1 ZINC000655521373 487956990 /nfs/dbraw/zinc/95/69/90/487956990.db2.gz DWELYLGGBXGEJV-SECBINFHSA-N 0 3 210.281 0.510 20 0 BCADHN O[C@H](CNC[C@@H](O)C1CCC1)C(F)(F)F ZINC000316572779 322965634 /nfs/dbraw/zinc/96/56/34/322965634.db2.gz MDYFHLOCDAESJS-HTQZYQBOSA-N 0 3 227.226 0.660 20 0 BCADHN COCC1(NCc2ccnn2C)CCOCC1 ZINC000560562595 322989819 /nfs/dbraw/zinc/98/98/19/322989819.db2.gz TVXJSJCZMHBPQT-UHFFFAOYSA-N 0 3 239.319 0.705 20 0 BCADHN CC[C@@H](C)OCC(=O)NC[C@](C)(O)CN(C)C ZINC000152714997 322998817 /nfs/dbraw/zinc/99/88/17/322998817.db2.gz XZXPPDHFNMBZKM-PWSUYJOCSA-N 0 3 246.351 0.230 20 0 BCADHN CCOC1CC(N(C)CC2(CO)COC2)C1 ZINC000561922886 323008720 /nfs/dbraw/zinc/00/87/20/323008720.db2.gz HHKGYMJEWJTFKL-UHFFFAOYSA-N 0 3 229.320 0.495 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1CCCN1C)N(C)C ZINC000130701603 323011927 /nfs/dbraw/zinc/01/19/27/323011927.db2.gz DANMYNRTBPDZLK-GHMZBOCLSA-N 0 3 227.352 0.537 20 0 BCADHN CN1C(=O)C[C@H](N2CC[C@@H](CC3CC3)C2)C1=O ZINC000562512105 323022167 /nfs/dbraw/zinc/02/21/67/323022167.db2.gz ILKRGXWFSVSJKP-QWRGUYRKSA-N 0 3 236.315 0.866 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@H](O)C2CCC2)C1 ZINC000562521190 323022729 /nfs/dbraw/zinc/02/27/29/323022729.db2.gz UEARWFPHOFJDRO-ZYHUDNBSSA-N 0 3 240.347 0.605 20 0 BCADHN COCCOC[C@H](O)CN1CCC1(C)C ZINC000562694440 323028034 /nfs/dbraw/zinc/02/80/34/323028034.db2.gz SFJQMVPOYPTWDR-SNVBAGLBSA-N 0 3 217.309 0.495 20 0 BCADHN CCN1CC[C@H](NC(=O)c2cc(C)ncn2)C1 ZINC000562717017 323028886 /nfs/dbraw/zinc/02/88/86/323028886.db2.gz QKQKRBKGOIHIQN-JTQLQIEISA-N 0 3 234.303 0.609 20 0 BCADHN C[C@@H]1C[C@@H]1N1C[C@@H](NCC2(O)CCC2)CC1=O ZINC000566968722 323029425 /nfs/dbraw/zinc/02/94/25/323029425.db2.gz FHHCNEZLCPIVJI-VWYCJHECSA-N 0 3 238.331 0.500 20 0 BCADHN CO[C@@H](CN)C(=O)NC/C=C\c1ccccc1 ZINC000565148049 323032495 /nfs/dbraw/zinc/03/24/95/323032495.db2.gz AJGKXNHDUSXBDN-JECSTDCCSA-N 0 3 234.299 0.790 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000562872420 323032632 /nfs/dbraw/zinc/03/26/32/323032632.db2.gz AKOHCTRSXJDJJX-GARJFASQSA-N 0 3 228.336 0.868 20 0 BCADHN Cc1ncc(CN[C@H](CO)CC(F)F)n1C ZINC000567628122 323033736 /nfs/dbraw/zinc/03/37/36/323033736.db2.gz KIOHFMRIYJJIGN-QMMMGPOBSA-N 0 3 233.262 0.834 20 0 BCADHN CN[C@@H](C)C(=O)Nc1nnc2ccccn21 ZINC000565218421 323034062 /nfs/dbraw/zinc/03/40/62/323034062.db2.gz XYQSPHCEHOZROB-ZETCQYMHSA-N 0 3 219.248 0.276 20 0 BCADHN NC1(C(=O)N2CC[C@H](c3cccnc3)C2)CC1 ZINC000572723490 323036786 /nfs/dbraw/zinc/03/67/86/323036786.db2.gz MIIICMGKANTGOY-NSHDSACASA-N 0 3 231.299 0.889 20 0 BCADHN CC(C)NC(=O)NCCN(CCO)CC1CC1 ZINC000569720699 323038700 /nfs/dbraw/zinc/03/87/00/323038700.db2.gz XTUWLSSXHBGNDW-UHFFFAOYSA-N 0 3 243.351 0.398 20 0 BCADHN CC(C)n1ccc(CNC(=O)CNC2CC2)n1 ZINC000569840582 323042288 /nfs/dbraw/zinc/04/22/88/323042288.db2.gz HRLSGODUFMHDBI-UHFFFAOYSA-N 0 3 236.319 0.832 20 0 BCADHN CSCC[C@H](CO)NC[C@@H](O)C(F)(F)F ZINC000569845741 323042400 /nfs/dbraw/zinc/04/24/00/323042400.db2.gz NYBAIWSWPBENRV-RNFRBKRXSA-N 0 3 247.282 0.613 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-][C@@H](C)C[C@H](C)[NH3+])o1 ZINC000569926663 323044682 /nfs/dbraw/zinc/04/46/82/323044682.db2.gz BJYRITFJLGDGAY-YUMQZZPRSA-N 0 3 246.332 0.992 20 0 BCADHN C[C@]1(CNC[C@@H](O)C(F)(F)F)CCC(=O)N1 ZINC000569962413 323045908 /nfs/dbraw/zinc/04/59/08/323045908.db2.gz WMNNKFSGGDZQGH-HTRCEHHLSA-N 0 3 240.225 0.168 20 0 BCADHN F[C@]1(c2nc(-c3cnccn3)no2)CCNC1 ZINC000569970247 323046083 /nfs/dbraw/zinc/04/60/83/323046083.db2.gz VTSAUDAIHFWKSR-SNVBAGLBSA-N 0 3 235.222 0.685 20 0 BCADHN F[C@@]1(c2nc(-c3cnccn3)no2)CCNC1 ZINC000569970246 323046087 /nfs/dbraw/zinc/04/60/87/323046087.db2.gz VTSAUDAIHFWKSR-JTQLQIEISA-N 0 3 235.222 0.685 20 0 BCADHN COCCNCC(=O)N[C@H]1CCC[C@H](F)C1 ZINC000572604783 323046448 /nfs/dbraw/zinc/04/64/48/323046448.db2.gz YMAPVPKBHZQIQE-UWVGGRQHSA-N 0 3 232.299 0.619 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@@](C)(O)C1 ZINC000152375316 323046608 /nfs/dbraw/zinc/04/66/08/323046608.db2.gz HXGZKYXXLLZITB-GFCCVEGCSA-N 0 3 228.336 0.700 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@H]1CC[C@H](C)O1 ZINC000570042626 323048287 /nfs/dbraw/zinc/04/82/87/323048287.db2.gz KHBNNLSUJLJRRA-LNFKQOIKSA-N 0 3 215.293 0.557 20 0 BCADHN C[C@@H]1CCN(C)CCN1c1nccn2nnnc12 ZINC000531140344 323050345 /nfs/dbraw/zinc/05/03/45/323050345.db2.gz CUGYDLUMKWESND-SECBINFHSA-N 0 3 247.306 0.050 20 0 BCADHN OCC1(CN2CCOC[C@H]2C2CCC2)COC1 ZINC000570160315 323051335 /nfs/dbraw/zinc/05/13/35/323051335.db2.gz ZMOFESRFGQVSCU-LBPRGKRZSA-N 0 3 241.331 0.496 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1scnc1C1CC1 ZINC000572750393 323051775 /nfs/dbraw/zinc/05/17/75/323051775.db2.gz PIGBXUVPQGJTDB-ZETCQYMHSA-N 0 3 241.316 0.933 20 0 BCADHN CC(C)O[C@@H]1CCN(CCC(=O)NC(N)=O)C1 ZINC000570277079 323054769 /nfs/dbraw/zinc/05/47/69/323054769.db2.gz YEEAWYJKSGPUFI-SECBINFHSA-N 0 3 243.307 0.071 20 0 BCADHN COC[C@H](NC(=O)CCOC1CNC1)C(C)C ZINC000570321441 323055894 /nfs/dbraw/zinc/05/58/94/323055894.db2.gz CUVTXPRWSWJFSL-NSHDSACASA-N 0 3 244.335 0.152 20 0 BCADHN CSCC[C@H](CO)NCc1cnc(C)n1C ZINC000570345406 323057065 /nfs/dbraw/zinc/05/70/65/323057065.db2.gz MELFMSISLHBQNU-SNVBAGLBSA-N 0 3 243.376 0.932 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCc3n[nH]nc3C2)C1 ZINC000570408386 323058803 /nfs/dbraw/zinc/05/88/03/323058803.db2.gz AOPOVVBKKNWQLE-VIFPVBQESA-N 0 3 249.318 0.031 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](CO)Cc1ccco1 ZINC000570512134 323061728 /nfs/dbraw/zinc/06/17/28/323061728.db2.gz OSBSEALCRIJEHW-MWLCHTKSSA-N 0 3 240.303 0.284 20 0 BCADHN CCn1cc(CN(C)C(=O)[C@H](C)NC)cn1 ZINC000570528041 323062475 /nfs/dbraw/zinc/06/24/75/323062475.db2.gz YXFBBUBMPSVHKX-VIFPVBQESA-N 0 3 224.308 0.469 20 0 BCADHN COc1ccc(NC(=O)C(C)(C)N)cc1N ZINC000570568685 323063429 /nfs/dbraw/zinc/06/34/29/323063429.db2.gz CGOMFXQHWOYSBW-UHFFFAOYSA-N 0 3 223.276 0.953 20 0 BCADHN CNC(=O)N[C@H]1CCN(C[C@@H](C)COC)C1 ZINC000570584909 323063567 /nfs/dbraw/zinc/06/35/67/323063567.db2.gz VNALIFMCXMMVDS-ZJUUUORDSA-N 0 3 229.324 0.272 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2C[C@H](O)C(C)(C)C2)C1 ZINC000570582351 323064059 /nfs/dbraw/zinc/06/40/59/323064059.db2.gz UHNAEPYQVBMVSA-MNOVXSKESA-N 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BCADHN C[C@H](CN1CCCCC1)NS(C)(=O)=O ZINC000070226786 323174728 /nfs/dbraw/zinc/17/47/28/323174728.db2.gz HSPQIFKMSNXTHX-SECBINFHSA-N 0 3 220.338 0.410 20 0 BCADHN COCC1(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC000563727335 323176059 /nfs/dbraw/zinc/17/60/59/323176059.db2.gz SERWEBWAVGCOKO-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](CN[C@@H]1CCCSC1)S(C)(=O)=O ZINC000308662402 323176727 /nfs/dbraw/zinc/17/67/27/323176727.db2.gz QTKCNWHLHOBWKV-DTWKUNHWSA-N 0 3 237.390 0.905 20 0 BCADHN CCN1C[C@H](N[C@@H]2C[C@H](C)O[C@@H]2C)CC1=O ZINC000391546687 323176796 /nfs/dbraw/zinc/17/67/96/323176796.db2.gz QORYHJTXAMGESK-LNFKQOIKSA-N 0 3 226.320 0.763 20 0 BCADHN CC[C@H](CN(C)CCNC(C)=O)OC ZINC000563808591 323178594 /nfs/dbraw/zinc/17/85/94/323178594.db2.gz IPDPYBQOHXXKME-SNVBAGLBSA-N 0 3 202.298 0.479 20 0 BCADHN CC(C)OC[C@H](C)NC[C@H](C)S(C)(=O)=O ZINC000308861249 323180432 /nfs/dbraw/zinc/18/04/32/323180432.db2.gz RKTVDUOVXFKMAO-UWVGGRQHSA-N 0 3 237.365 0.823 20 0 BCADHN CC[C@H](N)C(=O)NC1(C(=O)OC)CCCC1 ZINC000152391099 323180532 /nfs/dbraw/zinc/18/05/32/323180532.db2.gz WVBLHJPLIMOTSQ-QMMMGPOBSA-N 0 3 228.292 0.326 20 0 BCADHN CN(C[C@@H]1CCCN1C)[C@H]1CCCN(C)C1=O ZINC000563855737 323181131 /nfs/dbraw/zinc/18/11/31/323181131.db2.gz UOGOPDGIYACZIM-RYUDHWBXSA-N 0 3 239.363 0.633 20 0 BCADHN CCC(CC)[C@H](CNS(C)(=O)=O)N(C)C ZINC000070255594 323182958 /nfs/dbraw/zinc/18/29/58/323182958.db2.gz ZPDPFJUPNYOQML-JTQLQIEISA-N 0 3 236.381 0.902 20 0 BCADHN CCCNC(=O)CN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000395063360 323186696 /nfs/dbraw/zinc/18/66/96/323186696.db2.gz PVIOAHWXULRJLR-OPRDCNLKSA-N 0 3 214.309 0.668 20 0 BCADHN CC(C)NC(=O)CN1C[C@H](C)C[C@@H](CO)C1 ZINC000398627112 323187426 /nfs/dbraw/zinc/18/74/26/323187426.db2.gz MTYWLBJDPZNBMM-GHMZBOCLSA-N 0 3 228.336 0.461 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@H](CO)C[C@H](C)C1 ZINC000398640115 323187526 /nfs/dbraw/zinc/18/75/26/323187526.db2.gz AHALYHAHHFMPDC-SDDRHHMPSA-N 0 3 242.363 0.851 20 0 BCADHN Cc1cc(C(=O)NC[C@H](C)N2CCCC2)ncn1 ZINC000535717360 323189166 /nfs/dbraw/zinc/18/91/66/323189166.db2.gz QSJIHBNTIUGIJJ-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN C[C@@H](NC1(C2CC2)CC1)C(=O)NC(N)=O ZINC000309016063 323190072 /nfs/dbraw/zinc/19/00/72/323190072.db2.gz UNWADHSQIUJGFE-ZCFIWIBFSA-N 0 3 211.265 0.102 20 0 BCADHN C[C@]1(O)CCCN(CCCN2CCCC2=O)C1 ZINC000535756163 323190545 /nfs/dbraw/zinc/19/05/45/323190545.db2.gz ZDTFOXXSIJWNRQ-ZDUSSCGKSA-N 0 3 240.347 0.846 20 0 BCADHN C[C@H](C1CC1)[N@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000114208296 323193058 /nfs/dbraw/zinc/19/30/58/323193058.db2.gz XDUGQJSYVHCOJR-MRVPVSSYSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@H](C1CC1)[N@@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000114208296 323193059 /nfs/dbraw/zinc/19/30/59/323193059.db2.gz XDUGQJSYVHCOJR-MRVPVSSYSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@H](C1CC1)[N@H+](C)CCCOC([O-])=NC(N)=O ZINC000114208296 323193060 /nfs/dbraw/zinc/19/30/60/323193060.db2.gz XDUGQJSYVHCOJR-MRVPVSSYSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@H](C1CC1)[N@@H+](C)CCCOC([O-])=NC(N)=O ZINC000114208296 323193061 /nfs/dbraw/zinc/19/30/61/323193061.db2.gz XDUGQJSYVHCOJR-MRVPVSSYSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@@H](C1CC1)[N@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000114208293 323193127 /nfs/dbraw/zinc/19/31/27/323193127.db2.gz XDUGQJSYVHCOJR-QMMMGPOBSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@@H](C1CC1)[N@@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000114208293 323193128 /nfs/dbraw/zinc/19/31/28/323193128.db2.gz XDUGQJSYVHCOJR-QMMMGPOBSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@@H](C1CC1)[N@H+](C)CCCOC([O-])=NC(N)=O ZINC000114208293 323193129 /nfs/dbraw/zinc/19/31/29/323193129.db2.gz XDUGQJSYVHCOJR-QMMMGPOBSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@@H](C1CC1)[N@@H+](C)CCCOC([O-])=NC(N)=O ZINC000114208293 323193130 /nfs/dbraw/zinc/19/31/30/323193130.db2.gz XDUGQJSYVHCOJR-QMMMGPOBSA-N 0 3 243.307 0.912 20 0 BCADHN CC(=O)C[C@@H](C)NC(=O)[C@@H]1CCN(C)C1 ZINC000536593014 323198424 /nfs/dbraw/zinc/19/84/24/323198424.db2.gz WJVMENKPLBJTLQ-PSASIEDQSA-N 0 3 212.293 0.422 20 0 BCADHN CC[C@H](N)C(=O)N(CC)c1cnn(C)c1 ZINC000655521375 487957492 /nfs/dbraw/zinc/95/74/92/487957492.db2.gz DWELYLGGBXGEJV-VIFPVBQESA-N 0 3 210.281 0.510 20 0 BCADHN CCOCCN(C)CCCN1CCCC1=O ZINC000536746103 323202647 /nfs/dbraw/zinc/20/26/47/323202647.db2.gz XBNGGTUGDVWGNZ-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN CC[C@H](C(=O)NCc1cc[nH]n1)N(C)C ZINC000532196978 323208694 /nfs/dbraw/zinc/20/86/94/323208694.db2.gz ZFYPZFUPHVWWEL-SECBINFHSA-N 0 3 210.281 0.366 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)c1nnc(C)o1 ZINC000532283157 323213052 /nfs/dbraw/zinc/21/30/52/323213052.db2.gz MFTSIZGPMUCJEC-MRVPVSSYSA-N 0 3 240.307 0.897 20 0 BCADHN C[C@@H](NC[C@@H]1COCCN1)c1cncs1 ZINC000530219138 323217901 /nfs/dbraw/zinc/21/79/01/323217901.db2.gz FRGURSWYGDYBDT-RKDXNWHRSA-N 0 3 227.333 0.782 20 0 BCADHN c1cc2c(c(CNC[C@@H]3COCCN3)c1)NCC2 ZINC000530247379 323220106 /nfs/dbraw/zinc/22/01/06/323220106.db2.gz RFMMTOKHWPKYGT-CYBMUJFWSA-N 0 3 247.342 0.733 20 0 BCADHN c1cc2c(c(CNC[C@H]3COCCN3)c1)NCC2 ZINC000530247380 323220212 /nfs/dbraw/zinc/22/02/12/323220212.db2.gz RFMMTOKHWPKYGT-ZDUSSCGKSA-N 0 3 247.342 0.733 20 0 BCADHN COCC(COC)NC1CC(OC)C1 ZINC000395378534 323224298 /nfs/dbraw/zinc/22/42/98/323224298.db2.gz KNDTZVMHKCJDBQ-UHFFFAOYSA-N 0 3 203.282 0.415 20 0 BCADHN COC1CCN(C(=O)NC[C@H](C)N(C)C)CC1 ZINC000532774008 323295815 /nfs/dbraw/zinc/29/58/15/323295815.db2.gz IFHBMXYEMJYEBN-JTQLQIEISA-N 0 3 243.351 0.757 20 0 BCADHN O=C(NCCN1CCC1)c1n[nH]c2ccccc21 ZINC000532787066 323297594 /nfs/dbraw/zinc/29/75/94/323297594.db2.gz DYCXDTXGTGDLML-UHFFFAOYSA-N 0 3 244.298 0.998 20 0 BCADHN C[C@@H](O)CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000532864861 323303218 /nfs/dbraw/zinc/30/32/18/323303218.db2.gz ULLVJOHYPKVAAO-GARJFASQSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1nnc2n1CCCC2 ZINC000571678368 323334444 /nfs/dbraw/zinc/33/44/44/323334444.db2.gz MCDMGCDGJWMVMZ-MRVPVSSYSA-N 0 3 249.318 0.693 20 0 BCADHN CN[C@@H](C)C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000563975938 323337010 /nfs/dbraw/zinc/33/70/10/323337010.db2.gz KISDNDDDTVFLRA-WCQYABFASA-N 0 3 247.342 0.767 20 0 BCADHN COc1ccc(CNC(=O)CN)c(C)c1 ZINC000083884756 487957685 /nfs/dbraw/zinc/95/76/85/487957685.db2.gz GGXHFORUMYUDLB-UHFFFAOYSA-N 0 3 208.261 0.579 20 0 BCADHN C[C@@H]1CC[C@@]2(CCN([C@@H]3CC(=O)NC3=O)C2)C1 ZINC000565158910 323344782 /nfs/dbraw/zinc/34/47/82/323344782.db2.gz VZYMWXQFHFPQCG-GIPNMCIBSA-N 0 3 236.315 0.914 20 0 BCADHN CCN(C(=O)[C@H](N)C(C)C)c1cnn(C)c1 ZINC000655521528 487958056 /nfs/dbraw/zinc/95/80/56/487958056.db2.gz GDOPTKQCDVMYPL-SNVBAGLBSA-N 0 3 224.308 0.756 20 0 BCADHN Cc1nc2n(n1)C[C@@H](NCC1(F)CC1)CC2 ZINC000309721403 323453480 /nfs/dbraw/zinc/45/34/80/323453480.db2.gz WCIWAKCGMAPPOV-VIFPVBQESA-N 0 3 224.283 0.993 20 0 BCADHN COCC[C@H](C)NC1CN(C(C)=O)C1 ZINC000571700001 323466502 /nfs/dbraw/zinc/46/65/02/323466502.db2.gz CUHPOXJETXQUSB-QMMMGPOBSA-N 0 3 200.282 0.232 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC2(CCO2)CC1 ZINC000571796331 323482095 /nfs/dbraw/zinc/48/20/95/323482095.db2.gz GDNUHCFGYZLZKB-LLVKDONJSA-N 0 3 243.303 0.165 20 0 BCADHN CCC[C@@H](O)[C@@H](CO)NCC1(F)CC1 ZINC000572228166 323574618 /nfs/dbraw/zinc/57/46/18/323574618.db2.gz XBYLOOUEVRXMRK-RKDXNWHRSA-N 0 3 205.273 0.600 20 0 BCADHN Cc1cc(CNC[C@@H](O)[C@@H]2CCCO2)n(C)n1 ZINC000527753392 323678754 /nfs/dbraw/zinc/67/87/54/323678754.db2.gz AOGBGMKYFQVTKF-NEPJUHHUSA-N 0 3 239.319 0.358 20 0 BCADHN Cc1ccc2c(c1)CN(C(=O)CN)CC2 ZINC000083888059 487959731 /nfs/dbraw/zinc/95/97/31/487959731.db2.gz JCNQWMQVKQXWKK-UHFFFAOYSA-N 0 3 204.273 0.838 20 0 BCADHN CCN(C)S(=O)(=O)N1CCNC[C@@H]1C(C)C ZINC000528047670 323751394 /nfs/dbraw/zinc/75/13/94/323751394.db2.gz GOSOEGUVHIDDHD-SNVBAGLBSA-N 0 3 249.380 0.113 20 0 BCADHN CC[C@H](C)NC(=O)CNC(C)(C)COC ZINC000122354530 324045334 /nfs/dbraw/zinc/04/53/34/324045334.db2.gz CILLMHLXQJXNNB-VIFPVBQESA-N 0 3 216.325 0.916 20 0 BCADHN COC[C@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC000122552055 324048427 /nfs/dbraw/zinc/04/84/27/324048427.db2.gz MWLOTQSZOSTXBE-NSHDSACASA-N 0 3 228.336 0.868 20 0 BCADHN CN(C[C@H]1CCOC1)[C@H]1CCCN(C)C1=O ZINC000537606585 324086490 /nfs/dbraw/zinc/08/64/90/324086490.db2.gz BTBGKNYZYILWGQ-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN COCCN(C)CCCNC(=O)NCC1CC1 ZINC000061672647 324096827 /nfs/dbraw/zinc/09/68/27/324096827.db2.gz REYULBPVSZVHQP-UHFFFAOYSA-N 0 3 243.351 0.664 20 0 BCADHN CCC(CC)NC(=O)N1CCN(C)C[C@H]1CN ZINC000514783632 324112670 /nfs/dbraw/zinc/11/26/70/324112670.db2.gz LNWXHDYMIUTAAF-LLVKDONJSA-N 0 3 242.367 0.459 20 0 BCADHN CCn1ccnc1CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000572493852 324131169 /nfs/dbraw/zinc/13/11/69/324131169.db2.gz CHSYCHQPZZMGFN-QWRGUYRKSA-N 0 3 238.335 0.010 20 0 BCADHN CCN(C)C(=O)c1ccn(CCN(C)C)n1 ZINC000572494954 324132389 /nfs/dbraw/zinc/13/23/89/324132389.db2.gz AUHCQZCPSUWPBC-UHFFFAOYSA-N 0 3 224.308 0.537 20 0 BCADHN CC[C@H](C(=O)N(C)CCN1CCCC1)N(C)C ZINC000162958539 324171200 /nfs/dbraw/zinc/17/12/00/324171200.db2.gz VLFFKRXSGVXHQN-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CO[C@@H]1CC[C@@H](N[C@@H](C)CS(C)(=O)=O)C1 ZINC000231691162 324206932 /nfs/dbraw/zinc/20/69/32/324206932.db2.gz NRWPLCQSMLEVOH-IVZWLZJFSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@@H](N[C@H]1CS[C@@H](C)C1)C(=O)N(C)C ZINC000227501017 487962735 /nfs/dbraw/zinc/96/27/35/487962735.db2.gz YXFHOMBMMSNLIJ-DJLDLDEBSA-N 0 3 216.350 0.947 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)COCC(F)F)C[C@@H]21 ZINC000529451912 324303317 /nfs/dbraw/zinc/30/33/17/324303317.db2.gz JXEWGMAABNJGRJ-BDAKNGLRSA-N 0 3 248.273 0.431 20 0 BCADHN C[C@@H](CNC(=O)c1cnn(C2CC2)c1)N(C)C ZINC000529509851 324318632 /nfs/dbraw/zinc/31/86/32/324318632.db2.gz LOOPWINWKNSVTR-VIFPVBQESA-N 0 3 236.319 0.898 20 0 BCADHN O=C1COc2ccc(CNCC3COC3)cc2N1 ZINC000529675883 324375795 /nfs/dbraw/zinc/37/57/95/324375795.db2.gz RCSHAQAVPACCLO-UHFFFAOYSA-N 0 3 248.282 0.754 20 0 BCADHN CC[C@H](O)CNC1CN(C(=O)OC(C)(C)C)C1 ZINC000124476812 324617316 /nfs/dbraw/zinc/61/73/16/324617316.db2.gz UFAAPMJWGHHRTG-JTQLQIEISA-N 0 3 244.335 0.966 20 0 BCADHN COCCCC(=O)NCCOCCN(C)C ZINC000540846821 324921405 /nfs/dbraw/zinc/92/14/05/324921405.db2.gz URQNTHCOWWNSEP-UHFFFAOYSA-N 0 3 232.324 0.107 20 0 BCADHN CCC[C@@H](C(=O)N[C@H]1CCC(=O)NC1)N(C)C ZINC000129466379 324950899 /nfs/dbraw/zinc/95/08/99/324950899.db2.gz UVTYVRBWJQDHNG-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@@H](N)C(=O)NC1CCN(C(=O)OC)CC1 ZINC000129529886 324957977 /nfs/dbraw/zinc/95/79/77/324957977.db2.gz ZAGRCYLZUBQKKJ-SECBINFHSA-N 0 3 243.307 0.071 20 0 BCADHN CCN(C)C(=O)CCN(CC(N)=O)C(C)C ZINC000130078176 325010716 /nfs/dbraw/zinc/01/07/16/325010716.db2.gz CFLWAJKUEGKZAV-UHFFFAOYSA-N 0 3 229.324 0.051 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H](C)C[C@@H](C)O)N(C)C ZINC000542172103 325012643 /nfs/dbraw/zinc/01/26/43/325012643.db2.gz SABKSUZGBLTJHF-MXWKQRLJSA-N 0 3 230.352 0.848 20 0 BCADHN COCCNC(=O)CCN(C)c1ccncc1 ZINC000542787784 325048270 /nfs/dbraw/zinc/04/82/70/325048270.db2.gz XBVRWWMQTZXPRP-UHFFFAOYSA-N 0 3 237.303 0.671 20 0 BCADHN O=C(CNC1(C2CC2)CC1)Nc1ccncc1 ZINC000543455448 325090430 /nfs/dbraw/zinc/09/04/30/325090430.db2.gz ZPSVHGBCXXRLCQ-UHFFFAOYSA-N 0 3 231.299 0.974 20 0 BCADHN COC[C@H](O)CCNCc1ccc(CO)o1 ZINC000231605817 325097843 /nfs/dbraw/zinc/09/78/43/325097843.db2.gz LBVGTNJMZDIEKF-SECBINFHSA-N 0 3 229.276 0.259 20 0 BCADHN COC[C@H](C)N(C)[C@@H](C)C[S@](C)=O ZINC000130928362 325102593 /nfs/dbraw/zinc/10/25/93/325102593.db2.gz GJDDOZWIGWXNBQ-MWODSPESSA-N 0 3 207.339 0.720 20 0 BCADHN CNC(=O)NC(=O)CN1C[C@H]2CCC[C@@H]2C1 ZINC000152629668 325146138 /nfs/dbraw/zinc/14/61/38/325146138.db2.gz NZLRQWUMNJZGAJ-RKDXNWHRSA-N 0 3 225.292 0.174 20 0 BCADHN CSCC(=O)NCCCN1CCN(C)CC1 ZINC000072782111 325173345 /nfs/dbraw/zinc/17/33/45/325173345.db2.gz AYDPVJVMSNOHJQ-UHFFFAOYSA-N 0 3 245.392 0.103 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)NCC2(C)CC2)C1 ZINC000545176764 325183019 /nfs/dbraw/zinc/18/30/19/325183019.db2.gz PGOQLHOEVSVUAA-GFCCVEGCSA-N 0 3 241.335 0.152 20 0 BCADHN C[C@@H](O)CCN[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132179815 325203821 /nfs/dbraw/zinc/20/38/21/325203821.db2.gz PZZWRLBVQSXFIO-MXWKQRLJSA-N 0 3 249.376 0.703 20 0 BCADHN CC1(C)C(=O)NCCN1CCN1CCCCC1 ZINC000132358517 325212379 /nfs/dbraw/zinc/21/23/79/325212379.db2.gz QRQZVTRTAFRQKH-UHFFFAOYSA-N 0 3 239.363 0.683 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000073943834 325217806 /nfs/dbraw/zinc/21/78/06/325217806.db2.gz BNWLGBNCCQEKGP-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CCN(CC)C(=O)CN[C@@](C)(CCO)COC ZINC000132500409 325221059 /nfs/dbraw/zinc/22/10/59/325221059.db2.gz VEQZOWCVQIGNDP-LBPRGKRZSA-N 0 3 246.351 0.232 20 0 BCADHN C[C@H]1C[C@@H](Nc2ccncc2C(N)=O)CCN1C ZINC000545873148 325241152 /nfs/dbraw/zinc/24/11/52/325241152.db2.gz JYLHPJMCXONRNL-UWVGGRQHSA-N 0 3 248.330 0.497 20 0 BCADHN CCCNC(=O)CN1CCC[C@]1(C)CO ZINC000546104519 325265916 /nfs/dbraw/zinc/26/59/16/325265916.db2.gz LFNLGEHGXDBJNU-LLVKDONJSA-N 0 3 214.309 0.359 20 0 BCADHN CN(CCN(C)[C@@H]1CCCN(C)C1=O)C1CC1 ZINC000546028077 325260782 /nfs/dbraw/zinc/26/07/82/325260782.db2.gz WKPIOFJHEPLYOF-GFCCVEGCSA-N 0 3 239.363 0.633 20 0 BCADHN Cn1cc(CN2CCC[C@@]2(C)CO)cn1 ZINC000546103769 325265807 /nfs/dbraw/zinc/26/58/07/325265807.db2.gz JRFDHDAYCRVMSV-NSHDSACASA-N 0 3 209.293 0.767 20 0 BCADHN CN1CC[C@H](C(=O)N2CCC[C@]2(C)CO)C1 ZINC000546114363 325266969 /nfs/dbraw/zinc/26/69/69/325266969.db2.gz DCROPKCBIYPWOF-CMPLNLGQSA-N 0 3 226.320 0.312 20 0 BCADHN CN1CC[C@@H](C(=O)N2CCC[C@@]2(C)CO)C1 ZINC000546114365 325267188 /nfs/dbraw/zinc/26/71/88/325267188.db2.gz DCROPKCBIYPWOF-PWSUYJOCSA-N 0 3 226.320 0.312 20 0 BCADHN CN(C)CCN(C)c1ccncc1C(N)=O ZINC000546577568 325287964 /nfs/dbraw/zinc/28/79/64/325287964.db2.gz MAACQWIEWIBWED-UHFFFAOYSA-N 0 3 222.292 0.178 20 0 BCADHN CN1CC[C@H]2CCN(c3nccc(CO)n3)[C@H]2C1 ZINC000546635536 325296605 /nfs/dbraw/zinc/29/66/05/325296605.db2.gz GFNCTWUFQKYBRD-JQWIXIFHSA-N 0 3 248.330 0.499 20 0 BCADHN CN(CC1CC1)C(=O)CN1CCC[C@]1(C)CO ZINC000546809573 325312658 /nfs/dbraw/zinc/31/26/58/325312658.db2.gz WIKVXNJVEYQSTI-CYBMUJFWSA-N 0 3 240.347 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ZINC000152661324 325516639 /nfs/dbraw/zinc/51/66/39/325516639.db2.gz AAMCIEPQIATCAG-RYUDHWBXSA-N 0 3 238.331 0.577 20 0 BCADHN CCc1nocc1CNC[C@@H](O)[C@@H]1CCOC1 ZINC000550156053 325524891 /nfs/dbraw/zinc/52/48/91/325524891.db2.gz IPDYBJPYSMYGIX-BXKDBHETSA-N 0 3 240.303 0.724 20 0 BCADHN CN1CCC[C@H]1CN[C@H]1CCCS(=O)(=O)C1 ZINC000246082255 325541012 /nfs/dbraw/zinc/54/10/12/325541012.db2.gz VEZOFTHSQDGERX-QWRGUYRKSA-N 0 3 246.376 0.247 20 0 BCADHN Cn1cncc1CN[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000551220902 325550537 /nfs/dbraw/zinc/55/05/37/325550537.db2.gz LDWGRNYPKFUPSF-AAEUAGOBSA-N 0 3 248.330 0.567 20 0 BCADHN CS[C@@H]1CN(c2cccnn2)C[C@H]1N(C)C ZINC000551891311 325573108 /nfs/dbraw/zinc/57/31/08/325573108.db2.gz DSJKWNMEERTDRO-NXEZZACHSA-N 0 3 238.360 0.958 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000084199991 325581026 /nfs/dbraw/zinc/58/10/26/325581026.db2.gz HIXLDNLIWAFXSU-IWSPIJDZSA-N 0 3 200.282 0.360 20 0 BCADHN CN(CC1CCCC1)C(=O)CN1CCNCC1 ZINC000083929933 487968790 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/nfs/dbraw/zinc/68/92/16/325689216.db2.gz NOYSQZUQDOBULS-LLVKDONJSA-N 0 3 216.288 0.927 20 0 BCADHN CN(C)CCN(CCCO)Cc1ccccn1 ZINC000554249564 325711462 /nfs/dbraw/zinc/71/14/62/325711462.db2.gz ICQNCUNYZJAKCL-UHFFFAOYSA-N 0 3 237.347 0.828 20 0 BCADHN Cc1ncc(CNCCN2CCOCC2)cn1 ZINC000555554235 325761951 /nfs/dbraw/zinc/76/19/51/325761951.db2.gz SLUYPPYJNJPRCM-UHFFFAOYSA-N 0 3 236.319 0.207 20 0 BCADHN CC[C@@H](CCO)CNC(=O)[C@H](CC)N(C)C ZINC000152734580 325795184 /nfs/dbraw/zinc/79/51/84/325795184.db2.gz RRAIRCZIPLKDPQ-QWRGUYRKSA-N 0 3 230.352 0.851 20 0 BCADHN O=C(C[C@H]1CCC[NH2+]C1)NCc1ncccc1[O-] ZINC000564587056 325797889 /nfs/dbraw/zinc/79/78/89/325797889.db2.gz ZRHKSCXTYPICHT-SNVBAGLBSA-N 0 3 249.314 0.793 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@@H](C)N)c1ccsc1 ZINC000564993040 325836330 /nfs/dbraw/zinc/83/63/30/325836330.db2.gz NEHQLIYZRSFROW-SVRRBLITSA-N 0 3 242.300 0.426 20 0 BCADHN CCNC(=O)c1ccn(CCN(C)C)n1 ZINC000565171892 325867468 /nfs/dbraw/zinc/86/74/68/325867468.db2.gz MXPYAHFDGKKQDK-UHFFFAOYSA-N 0 3 210.281 0.194 20 0 BCADHN CC[C@@H](SC)C(=O)NC[C@](C)(O)CN(C)C ZINC000153231982 325928575 /nfs/dbraw/zinc/92/85/75/325928575.db2.gz GRJAWTZGHOBAAH-KOLCDFICSA-N 0 3 248.392 0.557 20 0 BCADHN CC(C)N1C[C@@H](N[C@H](C)[C@H](C)O)CC1=O ZINC000566109262 325996539 /nfs/dbraw/zinc/99/65/39/325996539.db2.gz LUVYMFQCMFCOCR-UTLUCORTSA-N 0 3 214.309 0.355 20 0 BCADHN C[C@@H](CNC[C@@H]1CCC(C)(C)O1)S(C)(=O)=O ZINC000566132788 326000978 /nfs/dbraw/zinc/00/09/78/326000978.db2.gz ZNIZDLDOWPJMLB-UWVGGRQHSA-N 0 3 249.376 0.967 20 0 BCADHN CCn1cc(CN(C)C(=O)[C@H](N)C(C)C)cn1 ZINC000566176880 326006741 /nfs/dbraw/zinc/00/67/41/326006741.db2.gz XCCCWFQQLBXXGA-LLVKDONJSA-N 0 3 238.335 0.845 20 0 BCADHN C[C@H](NC1CC1)C(=O)Nc1cccn(C)c1=O ZINC000566175391 326007370 /nfs/dbraw/zinc/00/73/70/326007370.db2.gz RWAAYILVVIDZLX-QMMMGPOBSA-N 0 3 235.287 0.464 20 0 BCADHN CNC(=O)CCCN(C)C(=O)[C@H](N)C1CCC1 ZINC000566190559 326009301 /nfs/dbraw/zinc/00/93/01/326009301.db2.gz 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ZINC000154312864 326139068 /nfs/dbraw/zinc/13/90/68/326139068.db2.gz NLADIVPCUJNWPS-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](O)C1CCCCC1 ZINC000154413473 326143072 /nfs/dbraw/zinc/14/30/72/326143072.db2.gz YTVHFHJHROXURP-WDEREUQCSA-N 0 3 228.336 0.781 20 0 BCADHN CCOC[C@@H](O)CN[C@@H]1CCC[C@@H]1F ZINC000567228361 326146305 /nfs/dbraw/zinc/14/63/05/326146305.db2.gz QICKKNHDJPXVLD-LPEHRKFASA-N 0 3 205.273 0.864 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N[C@@H]1C[C@H](O)C1(C)C ZINC000567246867 326150177 /nfs/dbraw/zinc/15/01/77/326150177.db2.gz XTGJQMXNKJLNIN-AXFHLTTASA-N 0 3 242.363 0.991 20 0 BCADHN CC[C@@H](C(=O)NCC(C)(C)C(=O)OC)N(C)C ZINC000154581456 326151723 /nfs/dbraw/zinc/15/17/23/326151723.db2.gz MKZFJEQRNZGKFF-VIFPVBQESA-N 0 3 244.335 0.642 20 0 BCADHN C[C@@H]1C[C@@H](N[C@@H](Cc2ccccc2)C(N)=O)CO1 ZINC000567270931 326154162 /nfs/dbraw/zinc/15/41/62/326154162.db2.gz UXDYTNCHUVMPPC-RTXFEEFZSA-N 0 3 248.326 0.850 20 0 BCADHN Nc1ccc(NC(=O)CNC2CC2)cn1 ZINC000309528579 326157338 /nfs/dbraw/zinc/15/73/38/326157338.db2.gz CWSXTRPEXFGWNI-UHFFFAOYSA-N 0 3 206.249 0.354 20 0 BCADHN CN[C@@H](C)C(=O)N(C)CCC1CCOCC1 ZINC000567367223 326176034 /nfs/dbraw/zinc/17/60/34/326176034.db2.gz YOMSNCFRDDLXJS-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN Cn1nccc1[C@H](CO)NC[C@H](O)C(C)(C)C ZINC000567386076 326181081 /nfs/dbraw/zinc/18/10/81/326181081.db2.gz ZUMIGSBVIRCARI-ONGXEEELSA-N 0 3 241.335 0.450 20 0 BCADHN Cn1nccc1[C@H](CO)NC[C@@H](O)C(C)(C)C ZINC000567386073 326181375 /nfs/dbraw/zinc/18/13/75/326181375.db2.gz ZUMIGSBVIRCARI-GXSJLCMTSA-N 0 3 241.335 0.450 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000567406420 326184577 /nfs/dbraw/zinc/18/45/77/326184577.db2.gz JFQSHMZXNLDZNU-AEJSXWLSSA-N 0 3 212.293 0.232 20 0 BCADHN CC[C@H](C(=O)NC1CCOCC1)N(C)C ZINC000156157487 326220800 /nfs/dbraw/zinc/22/08/00/326220800.db2.gz PZTIHRNMQNPNFY-SNVBAGLBSA-N 0 3 214.309 0.622 20 0 BCADHN O=C(CNC1CC1)N1CCC[C@H]1c1cc[nH]n1 ZINC000567468931 326198427 /nfs/dbraw/zinc/19/84/27/326198427.db2.gz HUINDHNGJYYQBH-NSHDSACASA-N 0 3 234.303 0.825 20 0 BCADHN CC(C)CS(=O)(=O)NCCN(C)C(C)C ZINC000155562461 326201189 /nfs/dbraw/zinc/20/11/89/326201189.db2.gz UYMBLDDWHHBYII-UHFFFAOYSA-N 0 3 236.381 0.902 20 0 BCADHN O=C(Nc1nc[nH]n1)[C@H]1CNCc2ccccc21 ZINC000567497134 326204960 /nfs/dbraw/zinc/20/49/60/326204960.db2.gz GRYYMHDXUQKCSI-JTQLQIEISA-N 0 3 243.270 0.630 20 0 BCADHN COC(C)(C)CN(C)C[C@H]1COCCO1 ZINC000567571762 326219809 /nfs/dbraw/zinc/21/98/09/326219809.db2.gz TVRWAEPVGVKSHD-JTQLQIEISA-N 0 3 217.309 0.759 20 0 BCADHN C[C@H](NCC(=O)N1CCNCC1)c1ccccc1 ZINC000567639080 326235039 /nfs/dbraw/zinc/23/50/39/326235039.db2.gz RDQNVMDNBSORPS-LBPRGKRZSA-N 0 3 247.342 0.769 20 0 BCADHN COC[C@H](O)CNCc1cc(C)nc(C)c1 ZINC000567693536 326246327 /nfs/dbraw/zinc/24/63/27/326246327.db2.gz WFIYQFXTEBMAEO-GFCCVEGCSA-N 0 3 224.304 0.795 20 0 BCADHN CO[C@@H]([C@@H](C)NC[C@H](C)S(C)(=O)=O)C1CC1 ZINC000567697319 326246893 /nfs/dbraw/zinc/24/68/93/326246893.db2.gz USTKGDDFNNVLDQ-NGZCFLSTSA-N 0 3 249.376 0.823 20 0 BCADHN Cn1cc2c(n1)CCC[C@H]2NCCC(N)=O ZINC000567707232 326248951 /nfs/dbraw/zinc/24/89/51/326248951.db2.gz NLFFSPIJGYQZAB-SECBINFHSA-N 0 3 222.292 0.263 20 0 BCADHN COC(=O)C(C)(C)CCN1CC(C)(C(N)=O)C1 ZINC000567790979 326259040 /nfs/dbraw/zinc/25/90/40/326259040.db2.gz CRPKECSXCSQHMK-UHFFFAOYSA-N 0 3 242.319 0.383 20 0 BCADHN O=C(CCC1CC[NH2+]CC1)Nc1ccncc1[O-] ZINC000567802099 326259612 /nfs/dbraw/zinc/25/96/12/326259612.db2.gz XDVCMBPQFJRWEV-UHFFFAOYSA-N 0 3 249.314 0.927 20 0 BCADHN C/C=C/C[C@H](CO)NC[C@H](O)C(F)(F)F ZINC000567876093 326275519 /nfs/dbraw/zinc/27/55/19/326275519.db2.gz OPHDGWLMDFXJPZ-TZIBCRCASA-N 0 3 227.226 0.826 20 0 BCADHN CC(=O)NCCCN(C)CCNC(=O)C(C)C ZINC000157558285 326282828 /nfs/dbraw/zinc/28/28/28/326282828.db2.gz OUNVPAAHWBKPBM-UHFFFAOYSA-N 0 3 243.351 0.217 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H]2OCC[C@@H]2C1)N(C)C ZINC000567964183 326288905 /nfs/dbraw/zinc/28/89/05/326288905.db2.gz GHCCRBMBUHHDFL-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H]1CCCN1CC)N(C)C ZINC000157773698 326295505 /nfs/dbraw/zinc/29/55/05/326295505.db2.gz MQWAQSMXWVGPHU-RYUDHWBXSA-N 0 3 241.379 0.927 20 0 BCADHN CC[C@@H](COC)NC(=O)NCCN(C)CC ZINC000157899810 326299867 /nfs/dbraw/zinc/29/98/67/326299867.db2.gz GDFHSLXUVLXYCB-JTQLQIEISA-N 0 3 231.340 0.662 20 0 BCADHN CN1CCN(C(=O)NCC2(C)CC2)[C@@H](CN)C1 ZINC000568058603 326301740 /nfs/dbraw/zinc/30/17/40/326301740.db2.gz LNIYOIIGKZCZQB-JTQLQIEISA-N 0 3 240.351 0.071 20 0 BCADHN CN[C@@H](C)C(=O)NCCOc1ccccc1F ZINC000568107801 326309411 /nfs/dbraw/zinc/30/94/11/326309411.db2.gz YWXOBCZSVYIRIP-VIFPVBQESA-N 0 3 240.278 0.929 20 0 BCADHN C[C@H](N)C(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000568151510 326313829 /nfs/dbraw/zinc/31/38/29/326313829.db2.gz DBCAXSJVENUPCY-GXSJLCMTSA-N 0 3 236.319 0.821 20 0 BCADHN CC1CCN(CC(=O)N2CC(N(C)C)C2)CC1 ZINC000158296854 326315301 /nfs/dbraw/zinc/31/53/01/326315301.db2.gz XYTMCMURSVYFHU-UHFFFAOYSA-N 0 3 239.363 0.491 20 0 BCADHN Cc1cnccc1CCN[C@]1(C(N)=O)CCOC1 ZINC000568170813 326319323 /nfs/dbraw/zinc/31/93/23/326319323.db2.gz UYPLXJRWSZUKJJ-CYBMUJFWSA-N 0 3 249.314 0.167 20 0 BCADHN O=C(C[C@@H]1CNCCO1)NCCCC1CC1 ZINC000158451484 326323114 /nfs/dbraw/zinc/32/31/14/326323114.db2.gz YKMNPILNABEQTQ-LLVKDONJSA-N 0 3 226.320 0.671 20 0 BCADHN CCN(C)CCNc1cc(=O)n(C)cn1 ZINC000568243750 326333468 /nfs/dbraw/zinc/33/34/68/326333468.db2.gz MYTLMJBORXUJJE-UHFFFAOYSA-N 0 3 210.281 0.144 20 0 BCADHN CNS(=O)(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000568265148 326337176 /nfs/dbraw/zinc/33/71/76/326337176.db2.gz NZHZRPRHNPMUMW-SNVBAGLBSA-N 0 3 249.380 0.161 20 0 BCADHN Cc1ncc(CNCCC[S@](C)=O)n1C ZINC000568273043 326339116 /nfs/dbraw/zinc/33/91/16/326339116.db2.gz ICBWNXQXUMFMGT-HNNXBMFYSA-N 0 3 229.349 0.587 20 0 BCADHN O=S(=O)(CC12CCC(CC1)C2)NC1CNC1 ZINC000568279316 326340380 /nfs/dbraw/zinc/34/03/80/326340380.db2.gz HMAMLMNREGLRQE-UHFFFAOYSA-N 0 3 244.360 0.458 20 0 BCADHN CC(C)N1C[C@@H](NCC(C)(C)O)CC1=O ZINC000568501209 326360094 /nfs/dbraw/zinc/36/00/94/326360094.db2.gz QTMOPLHSHWDHAB-VIFPVBQESA-N 0 3 214.309 0.356 20 0 BCADHN CCOCC[C@@H](O)CNCc1cnn(C)c1C ZINC000568501861 326360104 /nfs/dbraw/zinc/36/01/04/326360104.db2.gz GIPCZWGSROJXCY-GFCCVEGCSA-N 0 3 241.335 0.606 20 0 BCADHN COCCNCCNC(=O)[C@]1(C)CCCOC1 ZINC000568509322 326360923 /nfs/dbraw/zinc/36/09/23/326360923.db2.gz HCUYSSCAHAEKDT-GFCCVEGCSA-N 0 3 244.335 0.155 20 0 BCADHN O=C1N=NCN1C1CCN(CCCO)CC1 ZINC000568649723 326370907 /nfs/dbraw/zinc/37/09/07/326370907.db2.gz OOJKXJVCJJTIQO-UHFFFAOYSA-N 0 3 226.280 0.003 20 0 BCADHN Cn1nncc1CN[C@@H](CO)CC1CCCC1 ZINC000568652094 326371412 /nfs/dbraw/zinc/37/14/12/326371412.db2.gz KBFAQTSYJVTUHT-LLVKDONJSA-N 0 3 238.335 0.846 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCc1cscn1 ZINC000568745402 326374485 /nfs/dbraw/zinc/37/44/85/326374485.db2.gz BYLBJPXFKMHWHC-NXEZZACHSA-N 0 3 228.317 0.689 20 0 BCADHN C[C@H](O)[C@H](C)NCc1cccc(CO)n1 ZINC000568983625 326384710 /nfs/dbraw/zinc/38/47/10/326384710.db2.gz LSZZCDCSGLICHK-IUCAKERBSA-N 0 3 210.277 0.433 20 0 BCADHN COCC1(CN[C@@]2(C(N)=O)CCOC2)CCC1 ZINC000569017405 326386901 /nfs/dbraw/zinc/38/69/01/326386901.db2.gz JVMGKLVMYJDJPR-LBPRGKRZSA-N 0 3 242.319 0.037 20 0 BCADHN COCC1(CN[C@]2(C(N)=O)CCOC2)CCC1 ZINC000569017404 326387020 /nfs/dbraw/zinc/38/70/20/326387020.db2.gz JVMGKLVMYJDJPR-GFCCVEGCSA-N 0 3 242.319 0.037 20 0 BCADHN C[C@H](CN1CCCCC1)NC(=O)C(C)(C)CO ZINC000569063039 326388217 /nfs/dbraw/zinc/38/82/17/326388217.db2.gz RIRLLMUOCMQJLC-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN CCN1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000569067972 326388623 /nfs/dbraw/zinc/38/86/23/326388623.db2.gz PPBOHGDZHCDVAW-WDEREUQCSA-N 0 3 217.309 0.352 20 0 BCADHN C[C@H]1C[C@@H](c2nc(CN)no2)CCN1C ZINC000569102445 326390116 /nfs/dbraw/zinc/39/01/16/326390116.db2.gz POTPBNCXQVGTIU-YUMQZZPRSA-N 0 3 210.281 0.726 20 0 BCADHN CCCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000572636335 326401971 /nfs/dbraw/zinc/40/19/71/326401971.db2.gz FQRKBEOSSOVCEV-GFCCVEGCSA-N 0 3 226.320 0.359 20 0 BCADHN CN(C)CCN(C)C(=O)c1cnc2cccnn21 ZINC000572887733 326417080 /nfs/dbraw/zinc/41/70/80/326417080.db2.gz TYHOTQMTSOSRNK-UHFFFAOYSA-N 0 3 247.302 0.363 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000572952317 326420464 /nfs/dbraw/zinc/42/04/64/326420464.db2.gz DXWJRFJJOYPTCI-NEPJUHHUSA-N 0 3 238.331 0.812 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000653204836 487974946 /nfs/dbraw/zinc/97/49/46/487974946.db2.gz HPNWOPYZGRZBBJ-QWRGUYRKSA-N 0 3 233.315 0.877 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NCc1cn(C)nn1 ZINC000679994582 487975131 /nfs/dbraw/zinc/97/51/31/487975131.db2.gz YJVKPWBZXZSYMR-SKDRFNHKSA-N 0 3 235.335 0.387 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@H](CO)CC1 ZINC000340993034 487979700 /nfs/dbraw/zinc/97/97/00/487979700.db2.gz PJCDGANLGLPWCY-LBPRGKRZSA-N 0 3 242.363 0.949 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H](CO)CC1 ZINC000340993032 487979898 /nfs/dbraw/zinc/97/98/98/487979898.db2.gz PJCDGANLGLPWCY-GFCCVEGCSA-N 0 3 242.363 0.949 20 0 BCADHN NCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000212747729 487980237 /nfs/dbraw/zinc/98/02/37/487980237.db2.gz OAYXURMZLJBJOJ-NSHDSACASA-N 0 3 235.287 0.245 20 0 BCADHN CCN1CCN(c2ncnc3n[nH]cc32)C[C@@H]1C ZINC000677153352 487984515 /nfs/dbraw/zinc/98/45/15/487984515.db2.gz XQQMFGBGAHVKBL-VIFPVBQESA-N 0 3 246.318 0.883 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)Cc1cccs1 ZINC000673522279 487985074 /nfs/dbraw/zinc/98/50/74/487985074.db2.gz GAXFTOSXBTZHHA-VIFPVBQESA-N 0 3 242.344 0.329 20 0 BCADHN CCN1CCN(C(=O)[C@@H]2CCCN2C)C[C@@H]1C ZINC000677171056 487987898 /nfs/dbraw/zinc/98/78/98/487987898.db2.gz CBKXMXPHIZQKGW-RYUDHWBXSA-N 0 3 239.363 0.633 20 0 BCADHN CN(C(=O)[C@@H](O)C1CC1)[C@H]1CCN(C2CC2)C1 ZINC000668599064 487988309 /nfs/dbraw/zinc/98/83/09/487988309.db2.gz QBXLQMSUOHFHTK-RYUDHWBXSA-N 0 3 238.331 0.452 20 0 BCADHN CCC[C@H](O)CC(=O)N1CCN2CCC1CC2 ZINC000682568905 487990208 /nfs/dbraw/zinc/99/02/08/487990208.db2.gz NLNHTZLYDKBEOV-LBPRGKRZSA-N 0 3 240.347 0.844 20 0 BCADHN CCN1CCN(C(=O)[C@H](C)N(C)C)C[C@@H]1C ZINC000677182278 487992665 /nfs/dbraw/zinc/99/26/65/487992665.db2.gz FJDYDJHWHXKYOC-QWRGUYRKSA-N 0 3 227.352 0.489 20 0 BCADHN CCN(Cc1ccn(C)c(=O)c1)[C@H]1CCNC1=O ZINC000685043145 487992609 /nfs/dbraw/zinc/99/26/09/487992609.db2.gz IKUVBOMGZRPLQE-NSHDSACASA-N 0 3 249.314 0.096 20 0 BCADHN CCN(CC)CC(=O)N1CCN(CC)[C@H](C)C1 ZINC000677184080 487993185 /nfs/dbraw/zinc/99/31/85/487993185.db2.gz JSYBXSVPSNJDCQ-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H]2COC[C@@H]2O)[C@@H]1SC ZINC000602723178 487998355 /nfs/dbraw/zinc/99/83/55/487998355.db2.gz DVABHHUTUMWVND-NZFPMDFQSA-N 0 3 247.360 0.245 20 0 BCADHN Cc1[nH]ncc1CN(C)Cc1cn(C)nn1 ZINC000668605147 487998026 /nfs/dbraw/zinc/99/80/26/487998026.db2.gz DWHGTNDNJZWSNV-UHFFFAOYSA-N 0 3 220.280 0.479 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CC=CCC1 ZINC000673523277 487998254 /nfs/dbraw/zinc/99/82/54/487998254.db2.gz JSJSUAXYJGFAHL-MNOVXSKESA-N 0 3 226.320 0.381 20 0 BCADHN CCN1CC[C@@H](N[C@@H](COC)C(C)C)C1=O ZINC000309668685 487999529 /nfs/dbraw/zinc/99/95/29/487999529.db2.gz VFPJFPBYWZSUAK-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN CCCNC(=O)[C@@H](C)n1cc([C@H](N)CC)nn1 ZINC000229935415 488000244 /nfs/dbraw/zinc/00/02/44/488000244.db2.gz FXONKMYAALFGMU-RKDXNWHRSA-N 0 3 239.323 0.775 20 0 BCADHN CC[C@@H](N)c1cn(C[C@@H]2CCCO2)nn1 ZINC000229935815 488000496 /nfs/dbraw/zinc/00/04/96/488000496.db2.gz VOSZOQCLKVROAA-DTWKUNHWSA-N 0 3 210.281 0.867 20 0 BCADHN CC[C@H](N)c1cn(C[C@@H](O)COC(C)C)nn1 ZINC000229935870 488001615 /nfs/dbraw/zinc/00/16/15/488001615.db2.gz AHIFSBOVBIRANY-ZJUUUORDSA-N 0 3 242.323 0.474 20 0 BCADHN CC[C@@H](N)c1cn(C[C@H]2CCCO2)nn1 ZINC000229935821 488001749 /nfs/dbraw/zinc/00/17/49/488001749.db2.gz VOSZOQCLKVROAA-RKDXNWHRSA-N 0 3 210.281 0.867 20 0 BCADHN Cc1cnn(C)c1NC(=O)NC[C@@H](C)N(C)C ZINC000667430527 488005237 /nfs/dbraw/zinc/00/52/37/488005237.db2.gz QWVVYOUWOZDSMB-SECBINFHSA-N 0 3 239.323 0.800 20 0 BCADHN CC[C@@H](N)c1cn(CCOCCOC)nn1 ZINC000229948455 488006453 /nfs/dbraw/zinc/00/64/53/488006453.db2.gz DKEDBJSDFGNNKL-SECBINFHSA-N 0 3 228.296 0.351 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@]1(C)CO)N(C)C ZINC000665823958 488007151 /nfs/dbraw/zinc/00/71/51/488007151.db2.gz WJRBKWNDOWEYSE-ZYHUDNBSSA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@@H](N)c1cn(C[C@](C)(O)CC)nn1 ZINC000229948728 488007603 /nfs/dbraw/zinc/00/76/03/488007603.db2.gz QNMCRYRMUJDBLJ-PSASIEDQSA-N 0 3 212.297 0.849 20 0 BCADHN CC[C@H](N)c1cn(C[C@@](C)(O)CC)nn1 ZINC000229948724 488007710 /nfs/dbraw/zinc/00/77/10/488007710.db2.gz QNMCRYRMUJDBLJ-WPRPVWTQSA-N 0 3 212.297 0.849 20 0 BCADHN CCC[C@@H](N)c1cn(CCOCCO)nn1 ZINC000229953108 488008405 /nfs/dbraw/zinc/00/84/05/488008405.db2.gz OMQGQGRLOTUTOA-SECBINFHSA-N 0 3 228.296 0.087 20 0 BCADHN CCN1OC[C@@H](N2CCC[C@@H](N(C)C)C2)C1=O ZINC000682676651 488011667 /nfs/dbraw/zinc/01/16/67/488011667.db2.gz BMWZJAJMGBZIJW-GHMZBOCLSA-N 0 3 241.335 0.175 20 0 BCADHN CCN1OC[C@@H](N2CCC[C@H](N(C)C)C2)C1=O ZINC000682676654 488012315 /nfs/dbraw/zinc/01/23/15/488012315.db2.gz BMWZJAJMGBZIJW-WDEREUQCSA-N 0 3 241.335 0.175 20 0 BCADHN C[C@@H](Cc1ccccn1)NCc1cnnn1C ZINC000655842664 488012474 /nfs/dbraw/zinc/01/24/74/488012474.db2.gz DLRXGUMJWOONIN-JTQLQIEISA-N 0 3 231.303 0.931 20 0 BCADHN Cc1ncc(CN2CCC[C@@H](C(N)=O)C2)n1C ZINC000667462661 488014894 /nfs/dbraw/zinc/01/48/94/488014894.db2.gz QALWYRDUSDNNMG-SNVBAGLBSA-N 0 3 236.319 0.426 20 0 BCADHN CC[C@@H](O)CNCc1cnc(N(C)C)n1C ZINC000229963000 488015559 /nfs/dbraw/zinc/01/55/59/488015559.db2.gz QUDCZUCNPPJSGK-SNVBAGLBSA-N 0 3 226.324 0.347 20 0 BCADHN CCC[C@@H](N)c1cn(C[C@H](O)CC)nn1 ZINC000229967602 488015726 /nfs/dbraw/zinc/01/57/26/488015726.db2.gz ZDGRIXOKVNJGNV-RKDXNWHRSA-N 0 3 212.297 0.849 20 0 BCADHN CCC[C@H](N)c1cn(Cc2ncccn2)nn1 ZINC000229965978 488016379 /nfs/dbraw/zinc/01/63/79/488016379.db2.gz HAZLARBJKKOQTH-VIFPVBQESA-N 0 3 232.291 0.916 20 0 BCADHN Cc1cc(CN[C@@H](C)CN(C)C)nn1C ZINC000300919653 533715744 /nfs/dbraw/zinc/71/57/44/533715744.db2.gz POHQBNIEPJWPDU-VIFPVBQESA-N 0 3 210.325 0.768 20 0 BCADHN COC[C@@H](C)NC(=O)N[C@@H](CN)C(F)(F)F ZINC000655919910 488021054 /nfs/dbraw/zinc/02/10/54/488021054.db2.gz DLJQVQNUTFQKPN-RITPCOANSA-N 0 3 243.229 0.210 20 0 BCADHN Cc1cc(CN2CC[C@@H](CO)C2)nc(C)n1 ZINC000659948303 488025648 /nfs/dbraw/zinc/02/56/48/488025648.db2.gz TYBJWZHQUDTNDV-LLVKDONJSA-N 0 3 221.304 0.908 20 0 BCADHN C[C@@H]1C[C@H](Nc2ccc(C#N)nn2)CCN1C ZINC000396979861 488026943 /nfs/dbraw/zinc/02/69/43/488026943.db2.gz UWKYEDVJALLPJC-NXEZZACHSA-N 0 3 231.303 1.243 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2nccn2C)nn1 ZINC000229972104 488027810 /nfs/dbraw/zinc/02/78/10/488027810.db2.gz QQBYJWBPRYUKLF-SECBINFHSA-N 0 3 234.307 0.860 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2ncnn2CC)nn1 ZINC000229972905 488029257 /nfs/dbraw/zinc/02/92/57/488029257.db2.gz ZNXHNZUHIUDRQB-SECBINFHSA-N 0 3 249.322 0.738 20 0 BCADHN CCN(CCC[C@@H](C)O)CC(=O)N(C)C ZINC000682755868 488030116 /nfs/dbraw/zinc/03/01/16/488030116.db2.gz LUAJZZFURCATNK-SNVBAGLBSA-N 0 3 216.325 0.558 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644841348 488030255 /nfs/dbraw/zinc/03/02/55/488030255.db2.gz PCDZPUKIOSJFAS-WCQYABFASA-N 0 3 234.347 0.864 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2ccnnc2)C1 ZINC000677406289 488030514 /nfs/dbraw/zinc/03/05/14/488030514.db2.gz SANGHZXDEQIVBY-MWLCHTKSSA-N 0 3 234.303 0.547 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@@H](CCO)C1)N(C)C ZINC000677449893 488030531 /nfs/dbraw/zinc/03/05/31/488030531.db2.gz PYGPFFMKVYFUFU-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H](NC(=O)CNC)[C@H]1CCCCO1 ZINC000655525157 488031162 /nfs/dbraw/zinc/03/11/62/488031162.db2.gz GNTPFMDOOATXGQ-NXEZZACHSA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@@H](NC(=O)[C@H](C)N)[C@@H]1CCCCO1 ZINC000655525358 488031433 /nfs/dbraw/zinc/03/14/33/488031433.db2.gz OHBHEBBJESMTGK-AEJSXWLSSA-N 0 3 214.309 0.798 20 0 BCADHN COC[C@@H](O)CNCc1ccc(CO)cc1 ZINC000227574623 488034165 /nfs/dbraw/zinc/03/41/65/488034165.db2.gz CDMURYHKAARQLQ-LBPRGKRZSA-N 0 3 225.288 0.276 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCC[C@H]1CS(N)(=O)=O ZINC000488289719 533718684 /nfs/dbraw/zinc/71/86/84/533718684.db2.gz BANFFWGBWLWVLO-BBBLOLIVSA-N 0 3 232.349 0.395 20 0 BCADHN CCCCOCC(=O)N1CCOC2(CNC2)C1 ZINC000663487441 488041727 /nfs/dbraw/zinc/04/17/27/488041727.db2.gz INCMPPINLWMTDX-UHFFFAOYSA-N 0 3 242.319 0.004 20 0 BCADHN Cc1ncc(CN2CCC[C@H]2CO)n1C ZINC000667552867 488042665 /nfs/dbraw/zinc/04/26/65/488042665.db2.gz XEAMDHVXTOBDSD-JTQLQIEISA-N 0 3 209.293 0.685 20 0 BCADHN CN(C)C1(C(=O)N(C)[C@H]2CCCN(C)C2)CC1 ZINC000669178371 488043607 /nfs/dbraw/zinc/04/36/07/488043607.db2.gz XFABTGWEUFAMEE-NSHDSACASA-N 0 3 239.363 0.633 20 0 BCADHN C[C@@H]1CCCCN1C(=O)COC1(C)CNC1 ZINC000165824601 488044281 /nfs/dbraw/zinc/04/42/81/488044281.db2.gz BHZLNDAUDKWZPW-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN Cc1cnc(NC(=O)COC2(C)CNC2)s1 ZINC000165825002 488044392 /nfs/dbraw/zinc/04/43/92/488044392.db2.gz QTPQFSLJNOUHRW-UHFFFAOYSA-N 0 3 241.316 0.769 20 0 BCADHN Cc1nnc(NC(=O)COC2(C)CNC2)s1 ZINC000165825132 488044395 /nfs/dbraw/zinc/04/43/95/488044395.db2.gz DZUKVTPJOYMECJ-UHFFFAOYSA-N 0 3 242.304 0.164 20 0 BCADHN C[C@H]1CCC[C@@H]1NC(=O)COC1(C)CNC1 ZINC000165841507 488045363 /nfs/dbraw/zinc/04/53/63/488045363.db2.gz RUIWOQVOUFAULS-UWVGGRQHSA-N 0 3 226.320 0.670 20 0 BCADHN CC1(OCC(=O)N2CCCC2(C)C)CNC1 ZINC000165839701 488045484 /nfs/dbraw/zinc/04/54/84/488045484.db2.gz UOZWXSNMRDYIPR-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1C[C@H](C)N(C(=O)COC2(C)CNC2)C1 ZINC000165850130 488046526 /nfs/dbraw/zinc/04/65/26/488046526.db2.gz QJHXBLZZHRMUBP-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN NC[C@H](NC(=O)c1ccon1)C(F)(F)F ZINC000401708562 488050247 /nfs/dbraw/zinc/05/02/47/488050247.db2.gz CNEXOXDZFXBQNV-YFKPBYRVSA-N 0 3 223.154 0.294 20 0 BCADHN NC[C@@H](NC(=O)c1ccc[nH]1)C(F)(F)F ZINC000401707038 488050187 /nfs/dbraw/zinc/05/01/87/488050187.db2.gz BLCJUSRINHTSGS-ZCFIWIBFSA-N 0 3 221.182 0.634 20 0 BCADHN COC[C@H](OC)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000669182558 488050997 /nfs/dbraw/zinc/05/09/97/488050997.db2.gz LNWOPVYNVRDUTM-DCAQKATOSA-N 0 3 244.335 0.247 20 0 BCADHN COC[C@H](OC)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000669182559 488051353 /nfs/dbraw/zinc/05/13/53/488051353.db2.gz LNWOPVYNVRDUTM-MXWKQRLJSA-N 0 3 244.335 0.247 20 0 BCADHN NC[C@H](NC(=O)c1ccoc1)C(F)(F)F ZINC000401710840 488051706 /nfs/dbraw/zinc/05/17/06/488051706.db2.gz DMZVVTDDVPKUPQ-LURJTMIESA-N 0 3 222.166 0.899 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(N)nc2)C1 ZINC000091432440 488053226 /nfs/dbraw/zinc/05/32/26/488053226.db2.gz ACAPGSNABKGUSU-LLVKDONJSA-N 0 3 248.330 0.830 20 0 BCADHN Cc1nc(CN[C@H]2C[C@H](O)C23CCC3)n[nH]1 ZINC000661828397 488054241 /nfs/dbraw/zinc/05/42/41/488054241.db2.gz TYECOOPAFMDNMW-IUCAKERBSA-N 0 3 222.292 0.506 20 0 BCADHN C[C@@H]([NH3+])CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000669492215 488054477 /nfs/dbraw/zinc/05/44/77/488054477.db2.gz NBEBIBRNXAFCGT-SSDOTTSWSA-N 0 3 241.266 0.678 20 0 BCADHN CO[C@H](C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000401729879 488057464 /nfs/dbraw/zinc/05/74/64/488057464.db2.gz NXMRGKPXPAFZFP-UHNVWZDZSA-N 0 3 214.187 0.027 20 0 BCADHN NC[C@H](NC(=O)[C@@H]1CCCO1)C(F)(F)F ZINC000401728634 488057939 /nfs/dbraw/zinc/05/79/39/488057939.db2.gz NEFDHKDPKRUJLV-WDSKDSINSA-N 0 3 226.198 0.171 20 0 BCADHN NC[C@@H](NC(=O)[C@@H]1CCCO1)C(F)(F)F ZINC000401728629 488057995 /nfs/dbraw/zinc/05/79/95/488057995.db2.gz NEFDHKDPKRUJLV-NTSWFWBYSA-N 0 3 226.198 0.171 20 0 BCADHN Cc1cc(C(=O)N[C@@H](CN)C(F)(F)F)on1 ZINC000401730756 488058880 /nfs/dbraw/zinc/05/88/80/488058880.db2.gz UGVAJGHWEBUOGX-LURJTMIESA-N 0 3 237.181 0.602 20 0 BCADHN NC[C@@H](NC(=O)[C@H]1CCCCO1)C(F)(F)F ZINC000401742638 488061151 /nfs/dbraw/zinc/06/11/51/488061151.db2.gz HXRIXFWXLWNJSC-RNFRBKRXSA-N 0 3 240.225 0.561 20 0 BCADHN NC[C@@H](NC(=O)C[C@H]1CCCO1)C(F)(F)F ZINC000401750224 488062612 /nfs/dbraw/zinc/06/26/12/488062612.db2.gz NDSWBGDJZXHBFH-RNFRBKRXSA-N 0 3 240.225 0.561 20 0 BCADHN NC[C@H](NC(=O)C[C@H]1CCCO1)C(F)(F)F ZINC000401750225 488062620 /nfs/dbraw/zinc/06/26/20/488062620.db2.gz NDSWBGDJZXHBFH-RQJHMYQMSA-N 0 3 240.225 0.561 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)NCCOC ZINC000675153237 488065684 /nfs/dbraw/zinc/06/56/84/488065684.db2.gz KAJDBIAFUXJRBE-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC000677534211 488067062 /nfs/dbraw/zinc/06/70/62/488067062.db2.gz BOMKJCKTZJSDEO-VIFPVBQESA-N 0 3 223.276 0.841 20 0 BCADHN CO[C@]1(CO)CCCN(CCc2cn[nH]c2)C1 ZINC000401787144 488067599 /nfs/dbraw/zinc/06/75/99/488067599.db2.gz LLPIYLVBXPFNRB-GFCCVEGCSA-N 0 3 239.319 0.426 20 0 BCADHN COCCN(CCN(C)C)C(=O)c1cnco1 ZINC000677539611 488068321 /nfs/dbraw/zinc/06/83/21/488068321.db2.gz FBYKYVMHQSIFFK-UHFFFAOYSA-N 0 3 241.291 0.325 20 0 BCADHN NC[C@@H](NC(=O)NC1CC1)C(F)(F)F ZINC000401860479 488071606 /nfs/dbraw/zinc/07/16/06/488071606.db2.gz XLXUFHMKPJWMRA-RXMQYKEDSA-N 0 3 211.187 0.338 20 0 BCADHN CC[C@@H](CN1CCC(O)(CO)CC1)OC ZINC000397013603 488072107 /nfs/dbraw/zinc/07/21/07/488072107.db2.gz FTWCDODDQCFSRL-JTQLQIEISA-N 0 3 217.309 0.231 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000389040305 488072632 /nfs/dbraw/zinc/07/26/32/488072632.db2.gz QMXAQKKPXMMZPR-KXUCPTDWSA-N 0 3 214.309 0.526 20 0 BCADHN Cc1c[nH]nc1C(=O)NCCNc1ccncc1 ZINC000669637293 488072379 /nfs/dbraw/zinc/07/23/79/488072379.db2.gz LYYTUNLQNVESRJ-UHFFFAOYSA-N 0 3 245.286 0.377 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cnco2)CCN1C ZINC000677557166 488072767 /nfs/dbraw/zinc/07/27/67/488072767.db2.gz NPNALLGRNUKWKN-RKDXNWHRSA-N 0 3 223.276 0.887 20 0 BCADHN CN(C)CCNC(=O)Nc1cc(F)ccn1 ZINC000667656630 488076078 /nfs/dbraw/zinc/07/60/78/488076078.db2.gz NLWTXIIGNCOADQ-UHFFFAOYSA-N 0 3 226.255 0.904 20 0 BCADHN CCCN1CC[C@H](NC(=O)c2ccc(N)cn2)C1 ZINC000389157381 488079909 /nfs/dbraw/zinc/07/99/09/488079909.db2.gz LAMUQKHOCRVQME-NSHDSACASA-N 0 3 248.330 0.878 20 0 BCADHN Cc1nnc(CN2CCN(C)CC2(C)C)[nH]1 ZINC000428293935 488080592 /nfs/dbraw/zinc/08/05/92/488080592.db2.gz DDEIVVLKPLWONK-UHFFFAOYSA-N 0 3 223.324 0.639 20 0 BCADHN CN(CC[C@@H]1CCS(=O)(=O)C1)CC(C)(C)O ZINC000677685938 488092635 /nfs/dbraw/zinc/09/26/35/488092635.db2.gz LPLDCWIDADMCHA-SNVBAGLBSA-N 0 3 249.376 0.514 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H]2COC[C@@H]21)N(C)C ZINC000665930161 488093611 /nfs/dbraw/zinc/09/36/11/488093611.db2.gz FLCOZVGMSDGHEA-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN Cn1ncnc1CNCC(C)(C)CCCO ZINC000227959919 488094393 /nfs/dbraw/zinc/09/43/93/488094393.db2.gz IRBGEZPZRJEYHM-UHFFFAOYSA-N 0 3 226.324 0.703 20 0 BCADHN CCCc1cc(C(=O)N2CCN[C@@H](C)C2)n[nH]1 ZINC000236898779 488095945 /nfs/dbraw/zinc/09/59/45/488095945.db2.gz XHZHLNZSKKTEBG-VIFPVBQESA-N 0 3 236.319 0.796 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC2(CCOC2)CC1 ZINC000677720393 488101184 /nfs/dbraw/zinc/10/11/84/488101184.db2.gz VPQWEMQCOAYLMB-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN C1CN[C@H](c2noc([C@@H]3CCCN3)n2)C1 ZINC000258133171 488101706 /nfs/dbraw/zinc/10/17/06/488101706.db2.gz UVCIWAXWAISNDD-YUMQZZPRSA-N 0 3 208.265 0.919 20 0 BCADHN COCC1(N(C)C[C@H](O)COC(C)C)CC1 ZINC000677726672 488102155 /nfs/dbraw/zinc/10/21/55/488102155.db2.gz NYKBBXRZGZUEJY-NSHDSACASA-N 0 3 231.336 0.883 20 0 BCADHN COCC1(N(C)C[C@@H](O)COC(C)C)CC1 ZINC000677726668 488103947 /nfs/dbraw/zinc/10/39/47/488103947.db2.gz NYKBBXRZGZUEJY-LLVKDONJSA-N 0 3 231.336 0.883 20 0 BCADHN CC[C@H](C)CS(=O)(=O)NCCNC1CC1 ZINC000237117680 488104229 /nfs/dbraw/zinc/10/42/29/488104229.db2.gz BWMDBODVJGNXII-VIFPVBQESA-N 0 3 234.365 0.704 20 0 BCADHN COCC1(N(C)C[C@H](O)Cn2cccn2)CC1 ZINC000677728610 488106831 /nfs/dbraw/zinc/10/68/31/488106831.db2.gz ZBFRAYGUHVKPTC-NSHDSACASA-N 0 3 239.319 0.355 20 0 BCADHN O=C1CCC(=O)N1CCN1CC[C@@H](C(F)F)C1 ZINC000677729765 488106843 /nfs/dbraw/zinc/10/68/43/488106843.db2.gz IHFHCDYDGPGUHC-MRVPVSSYSA-N 0 3 246.257 0.722 20 0 BCADHN OCC1(O)CCN(C[C@H]2CCCCO2)CC1 ZINC000313666460 488107266 /nfs/dbraw/zinc/10/72/66/488107266.db2.gz JDXPRSLDKQALFA-LLVKDONJSA-N 0 3 229.320 0.375 20 0 BCADHN NS(=O)(=O)CCCN1CC[C@H](C(F)F)C1 ZINC000677730896 488108153 /nfs/dbraw/zinc/10/81/53/488108153.db2.gz DILNGSAFXRTKSS-ZETCQYMHSA-N 0 3 242.291 0.252 20 0 BCADHN CO[C@@H]1CN([C@@H]2CCCOC2)C[C@@H]1OC ZINC000683097528 488107847 /nfs/dbraw/zinc/10/78/47/488107847.db2.gz SNECSVHLGQFHOV-MXWKQRLJSA-N 0 3 215.293 0.511 20 0 BCADHN Cc1n[nH]c(C)c1CN1CC[C@@H](CC(N)=O)C1 ZINC000685474503 487536435 /nfs/dbraw/zinc/53/64/35/487536435.db2.gz CKIBFJIGXZYQGX-JTQLQIEISA-N 0 3 236.319 0.724 20 0 BCADHN O[C@@H](Cn1cccn1)CN1CC[C@@H](C(F)F)C1 ZINC000677734713 488113065 /nfs/dbraw/zinc/11/30/65/488113065.db2.gz VMEDYPVIDVUKGF-NXEZZACHSA-N 0 3 245.273 0.831 20 0 BCADHN O[C@H](CN1CC[C@@H]2COC[C@H]2C1)C(F)(F)F ZINC000662029791 488113667 /nfs/dbraw/zinc/11/36/67/488113667.db2.gz BOZUXVCFJOJANQ-IWSPIJDZSA-N 0 3 239.237 0.878 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCC(NS(C)(=O)=O)CC1 ZINC000683111886 488113725 /nfs/dbraw/zinc/11/37/25/488113725.db2.gz VTEZOGTXWNGPTI-ZJUUUORDSA-N 0 3 246.376 0.656 20 0 BCADHN CC(C)C(=O)NCCN[C@@H]1CO[C@H](C2CC2)C1 ZINC000667766177 488113526 /nfs/dbraw/zinc/11/35/26/488113526.db2.gz SJRZVRWHHXWPJE-RYUDHWBXSA-N 0 3 240.347 0.916 20 0 BCADHN FC(F)[C@H]1CCN(CCN2CCOCC2)C1 ZINC000677736585 488115556 /nfs/dbraw/zinc/11/55/56/488115556.db2.gz UHYZAFZLWLQJLJ-JTQLQIEISA-N 0 3 234.290 0.906 20 0 BCADHN CC(C)OC1CC(NC[C@@H](C)S(C)(=O)=O)C1 ZINC000381294520 488117984 /nfs/dbraw/zinc/11/79/84/488117984.db2.gz FVOFJVLIYCTHLJ-KPPDAEKUSA-N 0 3 249.376 0.965 20 0 BCADHN C[C@@H]1OCC[C@@]1(C)NCC(=O)Nc1ccon1 ZINC000683147629 488120647 /nfs/dbraw/zinc/12/06/47/488120647.db2.gz ZQHHPJFQDOWJQD-GZMMTYOYSA-N 0 3 239.275 0.770 20 0 BCADHN C[C@@H](C[C@@H]1CCOC1)NC(=O)NCCN(C)C ZINC000677804680 488126573 /nfs/dbraw/zinc/12/65/73/488126573.db2.gz LZGVOFJTWNSYEE-QWRGUYRKSA-N 0 3 243.351 0.662 20 0 BCADHN Cc1nn(C)cc1CNC1([C@H](C)O)CC1 ZINC000668697609 488127008 /nfs/dbraw/zinc/12/70/08/488127008.db2.gz INXGNLYYAVFMHD-VIFPVBQESA-N 0 3 209.293 0.732 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H](COC)CC1 ZINC000452077106 488127040 /nfs/dbraw/zinc/12/70/40/488127040.db2.gz FOQPJEZHEPMNFV-WDEREUQCSA-N 0 3 228.336 0.999 20 0 BCADHN C[C@H](O)C1(NCc2ccc3c(c2)nnn3C)CC1 ZINC000668697714 488127090 /nfs/dbraw/zinc/12/70/90/488127090.db2.gz KMMQUDDCRVCUKY-VIFPVBQESA-N 0 3 246.314 0.971 20 0 BCADHN C[C@H](O)C1(NCc2cc(C(N)=O)cs2)CC1 ZINC000668697399 488127858 /nfs/dbraw/zinc/12/78/58/488127858.db2.gz FHBOIBKUKNIJIC-ZETCQYMHSA-N 0 3 240.328 0.850 20 0 BCADHN CO[C@@H]1CCC[C@H]1N[C@@H]1CCCN(C)C1=O ZINC000382293935 487538486 /nfs/dbraw/zinc/53/84/86/487538486.db2.gz LSDZPOHFLRMPGM-GMTAPVOTSA-N 0 3 226.320 0.764 20 0 BCADHN CCCN(C(=O)COC1(C)CNC1)C1CC1 ZINC000168747879 487539525 /nfs/dbraw/zinc/53/95/25/487539525.db2.gz GJAZPFCRJMFAJE-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN NCC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000237973546 487542322 /nfs/dbraw/zinc/54/23/22/487542322.db2.gz UMMDLMSOOAUZGE-GHMZBOCLSA-N 0 3 204.273 0.865 20 0 BCADHN CC(C)[C@H](O)CN1CCC[C@]12CCNC2=O ZINC000653717327 487542349 /nfs/dbraw/zinc/54/23/49/487542349.db2.gz SZRNPCQXQGVBLP-ZYHUDNBSSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)N(C)C ZINC000674235503 487529926 /nfs/dbraw/zinc/52/99/26/487529926.db2.gz CRHYTDAVCDZYSZ-NXEZZACHSA-N 0 3 238.335 0.590 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2cnc3n2CCC3)C1 ZINC000668243516 487544162 /nfs/dbraw/zinc/54/41/62/487544162.db2.gz BHOMVLSPLVQZDQ-JTQLQIEISA-N 0 3 248.330 0.397 20 0 BCADHN COCCN1CCN([C@H]2CCCOC2)C[C@@H]1C ZINC000674300843 487544259 /nfs/dbraw/zinc/54/42/59/487544259.db2.gz HMEVICPLXXSPSN-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN COC[C@H](C)CN1CCc2nn[nH]c2C1 ZINC000668790884 487544270 /nfs/dbraw/zinc/54/42/70/487544270.db2.gz GCDSQNSVZGARMB-MRVPVSSYSA-N 0 3 210.281 0.445 20 0 BCADHN COC[C@H](C)CN1CCc2n[nH]nc2C1 ZINC000668790884 487544275 /nfs/dbraw/zinc/54/42/75/487544275.db2.gz GCDSQNSVZGARMB-MRVPVSSYSA-N 0 3 210.281 0.445 20 0 BCADHN CC(C)[C@H](N)c1cn(-c2ccn(C)n2)nn1 ZINC000300739101 487530097 /nfs/dbraw/zinc/53/00/97/487530097.db2.gz AQDHLSQRMKBJPJ-JTQLQIEISA-N 0 3 220.280 0.657 20 0 BCADHN C[C@@H](C(=O)N(C)CCN1CCCC1)N(C)C ZINC000674288087 487548536 /nfs/dbraw/zinc/54/85/36/487548536.db2.gz WFBWFRRUCMSDBF-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN CN(Cc1cn[nH]c1)C[C@H](O)CN(C)C1CC1 ZINC000685568761 487550366 /nfs/dbraw/zinc/55/03/66/487550366.db2.gz SCWMKCIDIQKILA-LBPRGKRZSA-N 0 3 238.335 0.297 20 0 BCADHN C[C@@H](C(=O)NCCN1CC[C@@H](C)C1)N(C)C ZINC000674289834 487551495 /nfs/dbraw/zinc/55/14/95/487551495.db2.gz XBENFMBNQYXGDJ-MNOVXSKESA-N 0 3 227.352 0.395 20 0 BCADHN CC[C@@H](O)CN1CCN([C@H]2CCCOC2)CC1 ZINC000674302005 487551837 /nfs/dbraw/zinc/55/18/37/487551837.db2.gz IOWPZCSPHUXKIA-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN Cn1nc2c(cc1=O)CN([C@H]1CCCOC1)CC2 ZINC000674301335 487553015 /nfs/dbraw/zinc/55/30/15/487553015.db2.gz AQWWQEWYHCTRJM-NSHDSACASA-N 0 3 249.314 0.317 20 0 BCADHN C1CC1N1CCN([C@@H]2CCCOC2)CC1 ZINC000674301486 487553463 /nfs/dbraw/zinc/55/34/63/487553463.db2.gz SHOVTXVWOPXOTR-GFCCVEGCSA-N 0 3 210.321 0.945 20 0 BCADHN O=C(Nc1nc[n-]n1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653346477 487553987 /nfs/dbraw/zinc/55/39/87/487553987.db2.gz WYUKDVDONYZUIJ-HTQZYQBOSA-N 0 3 221.264 0.274 20 0 BCADHN C[C@H](N)C(=O)NCc1csc(N(C)C)n1 ZINC000169045860 487556878 /nfs/dbraw/zinc/55/68/78/487556878.db2.gz KGBKSQOQRMCUEK-LURJTMIESA-N 0 3 228.321 0.173 20 0 BCADHN Cc1nc(C)c(CN2CC[C@](C)(C(N)=O)C2)o1 ZINC000685580286 487556526 /nfs/dbraw/zinc/55/65/26/487556526.db2.gz GPCIWNGFYWGUDT-LBPRGKRZSA-N 0 3 237.303 0.989 20 0 BCADHN CCN(CC)C(=O)C[C@H](C)N[C@H]1CCNC1=O ZINC000658054175 487533099 /nfs/dbraw/zinc/53/30/99/487533099.db2.gz OEJOINUGKUKFGK-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN C[C@H]1CC(=O)NCCN1CC[C@@H]1CCOC1 ZINC000685469698 487533719 /nfs/dbraw/zinc/53/37/19/487533719.db2.gz RQGUXLBDWCOONS-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN COC[C@@H](C)CN1CCNC(=O)C[C@H]1C ZINC000685469482 487533552 /nfs/dbraw/zinc/53/35/52/487533552.db2.gz IQTPKTIHKNVDCO-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC(=O)C1(N)CCCC1 ZINC000231853557 487482335 /nfs/dbraw/zinc/48/23/35/487482335.db2.gz WWBCEICHFBNEKU-VIFPVBQESA-N 0 3 241.335 0.241 20 0 BCADHN Cc1noc(C)c1[C@@H](C)NC(=O)[C@H](C)N ZINC000086110012 487483355 /nfs/dbraw/zinc/48/33/55/487483355.db2.gz BOXDSOXBLZPBRR-NTSWFWBYSA-N 0 3 211.265 0.816 20 0 BCADHN CC[C@H](C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405229521 487476975 /nfs/dbraw/zinc/47/69/75/487476975.db2.gz QFTQIRFOILFQEE-GARJFASQSA-N 0 3 226.320 0.310 20 0 BCADHN CC(C)(C)CC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405249130 487478461 /nfs/dbraw/zinc/47/84/61/487478461.db2.gz BVJGZIKBVVDBBZ-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](CNC(=O)CCCCO)N(C)C ZINC000086087106 487480172 /nfs/dbraw/zinc/48/01/72/487480172.db2.gz IKIQNGLXFSEOKM-SECBINFHSA-N 0 3 202.298 0.215 20 0 BCADHN O=C1N[C@@H]2CCCC[C@H]2C[C@H]1N1CC[C@@H](O)C1 ZINC000659880366 487481172 /nfs/dbraw/zinc/48/11/72/487481172.db2.gz NLCOSFKUJOCHPY-IRCOFANPSA-N 0 3 238.331 0.500 20 0 BCADHN CCn1ccc(=NC(=O)[C@H](C(C)C)[C@@H](C)N)[nH]1 ZINC000399577485 487490251 /nfs/dbraw/zinc/49/02/51/487490251.db2.gz MIEVSXOKWNEKDZ-MWLCHTKSSA-N 0 3 238.335 0.883 20 0 BCADHN Cn1ccc(CN2CC[C@](C)(O)C2)cc1=O ZINC000674009161 487498758 /nfs/dbraw/zinc/49/87/58/487498758.db2.gz GOXROYVLECNWIX-LBPRGKRZSA-N 0 3 222.288 0.342 20 0 BCADHN O[C@@H]1CCC[C@H](CN2CCOC[C@@H](O)C2)C1 ZINC000399887306 487496903 /nfs/dbraw/zinc/49/69/03/487496903.db2.gz BNUBPPLLCVPDMC-TUAOUCFPSA-N 0 3 229.320 0.231 20 0 BCADHN CN1CCC[C@H](CNc2cncc3ncnn32)C1 ZINC000679928612 487491796 /nfs/dbraw/zinc/49/17/96/487491796.db2.gz QINQYUBMSQUZIG-SNVBAGLBSA-N 0 3 246.318 0.878 20 0 BCADHN C[C@@H](Cc1ccsc1)N1C[C@@H](O)[C@@H](O)C1 ZINC000679990679 487511932 /nfs/dbraw/zinc/51/19/32/487511932.db2.gz YBJACLLOQPYMRO-INTQDDNPSA-N 0 3 227.329 0.717 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000152881834 487514616 /nfs/dbraw/zinc/51/46/16/487514616.db2.gz CQYFAZLUFOZHPA-KOLCDFICSA-N 0 3 238.287 0.917 20 0 BCADHN Cn1cccc(NC(=O)C2(N)CCCC2)c1=O ZINC000237814100 487518235 /nfs/dbraw/zinc/51/82/35/487518235.db2.gz QIZGXLSRUWJUSU-UHFFFAOYSA-N 0 3 235.287 0.595 20 0 BCADHN Cn1cncc1C(=O)NCCNc1ccncc1 ZINC000685423446 487520134 /nfs/dbraw/zinc/52/01/34/487520134.db2.gz FXWPBYACFKTIQQ-UHFFFAOYSA-N 0 3 245.286 0.079 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H]1CCCC[C@@H]1O ZINC000081901070 487522692 /nfs/dbraw/zinc/52/26/92/487522692.db2.gz MDZNGQLWJKTCNC-AEJSXWLSSA-N 0 3 235.349 0.313 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000161909570 487525666 /nfs/dbraw/zinc/52/56/66/487525666.db2.gz MNIFGEGXJIHVAL-JGVFFNPUSA-N 0 3 229.324 0.014 20 0 BCADHN COC[C@](C)(O)CN[C@H]1CCCn2nccc21 ZINC000657878888 488159274 /nfs/dbraw/zinc/15/92/74/488159274.db2.gz OVOYSVWIHXDNDN-CMPLNLGQSA-N 0 3 239.319 0.705 20 0 BCADHN Cc1ccc(NCC2(N(C)C)CC2)nn1 ZINC000397866466 488160385 /nfs/dbraw/zinc/16/03/85/488160385.db2.gz HSWFZQYLCLSHPO-UHFFFAOYSA-N 0 3 206.293 0.713 20 0 BCADHN Cc1nnsc1CN1CCNC[C@@](C)(F)C1 ZINC000662273777 490044710 /nfs/dbraw/zinc/04/47/10/490044710.db2.gz OTGDNARDXFCOPX-SNVBAGLBSA-N 0 3 244.339 0.980 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@H]1COC ZINC000674590649 487597928 /nfs/dbraw/zinc/59/79/28/487597928.db2.gz LHTFWLGWKLCTOQ-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN Cc1cnc(CC(=O)NCCN(C)C)s1 ZINC000677946427 487599362 /nfs/dbraw/zinc/59/93/62/487599362.db2.gz DHPJQYGESIILJV-UHFFFAOYSA-N 0 3 227.333 0.672 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000668300784 487635628 /nfs/dbraw/zinc/63/56/28/487635628.db2.gz WYZLNXGEVUNQOX-GDNZZTSVSA-N 0 3 240.347 0.679 20 0 BCADHN N[C@H](C(=O)NC1CCOCC1)C1CCC1 ZINC000399246132 487741567 /nfs/dbraw/zinc/74/15/67/487741567.db2.gz WBBFGHODAVCBPU-JTQLQIEISA-N 0 3 212.293 0.409 20 0 BCADHN COCc1nnc(C[NH2+]C[C@H]2C[C@@H]2C)[n-]1 ZINC000668510166 487866763 /nfs/dbraw/zinc/86/67/63/487866763.db2.gz OFWAKVSXRMTDRR-JGVFFNPUSA-N 0 3 210.281 0.697 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1Cc1ccc(O)cc1 ZINC000682407138 487950130 /nfs/dbraw/zinc/95/01/30/487950130.db2.gz XYUKMCRUIUPJCK-CMPLNLGQSA-N 0 3 223.272 0.320 20 0 BCADHN CCCN[C@@H](C)C(=O)N[C@H](C)C(=O)NCC ZINC000059522105 487963782 /nfs/dbraw/zinc/96/37/82/487963782.db2.gz DRLICHGIRIKAFS-DTWKUNHWSA-N 0 3 229.324 0.015 20 0 BCADHN C[C@@H](C[C@H]1CCOC1)NC(=O)NCCN(C)C ZINC000677804681 488126647 /nfs/dbraw/zinc/12/66/47/488126647.db2.gz LZGVOFJTWNSYEE-WDEREUQCSA-N 0 3 243.351 0.662 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](C)NC)[C@@H](C)CO1 ZINC000403761966 488136248 /nfs/dbraw/zinc/13/62/48/488136248.db2.gz OSSFYXXXDSILCG-GUBZILKMSA-N 0 3 214.309 0.620 20 0 BCADHN CC[C@@H](C(=O)N[C@H](CO)CC1CC1)N(C)C ZINC000678389004 488136420 /nfs/dbraw/zinc/13/64/20/488136420.db2.gz QVGXIMMIIHBOMS-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CCn1cncc1CNC1([C@H](C)O)CC1 ZINC000668702113 488137606 /nfs/dbraw/zinc/13/76/06/488137606.db2.gz WDDZWKIPBPSSRA-VIFPVBQESA-N 0 3 209.293 0.906 20 0 BCADHN CC[C@@H]1CN(C[C@H]2CNCCO2)[C@H](CC)CO1 ZINC000403884805 488141509 /nfs/dbraw/zinc/14/15/09/488141509.db2.gz VFCVCIUPWWGYET-JHJVBQTASA-N 0 3 242.363 0.864 20 0 BCADHN CCN(C[C@H]1CCOC1)[C@@H](C)C(N)=O ZINC000677885358 488147427 /nfs/dbraw/zinc/14/74/27/488147427.db2.gz AIUHIFJOSINKOL-DTWKUNHWSA-N 0 3 200.282 0.219 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1C[C@H](OC)C1(C)C ZINC000379805494 488150266 /nfs/dbraw/zinc/15/02/66/488150266.db2.gz NSGSPSCGEDGDFA-YIZRAAEISA-N 0 3 214.309 0.524 20 0 BCADHN COC[C@H](C(N)=O)N(C)CC1CCCCC1 ZINC000339356171 488154187 /nfs/dbraw/zinc/15/41/87/488154187.db2.gz BQKVQHVENBIFLQ-LLVKDONJSA-N 0 3 228.336 0.999 20 0 BCADHN COCC(COC)n1cc([C@@H](N)C(C)C)nn1 ZINC000385053383 488157164 /nfs/dbraw/zinc/15/71/64/488157164.db2.gz RKQWXLKOPWOCNL-NSHDSACASA-N 0 3 242.323 0.768 20 0 BCADHN CC(C)NCC(=O)N[C@@H](C)c1ncon1 ZINC000397850989 488159641 /nfs/dbraw/zinc/15/96/41/488159641.db2.gz HGMDKHMKOBLVDQ-ZETCQYMHSA-N 0 3 212.253 0.245 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)NC[C@@H](C)O ZINC000683419607 488160396 /nfs/dbraw/zinc/16/03/96/488160396.db2.gz YUPSOUDDULFSSC-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN CCn1cc(CN[C@H]2CCOC[C@H]2C)nn1 ZINC000404441737 488161273 /nfs/dbraw/zinc/16/12/73/488161273.db2.gz XNSFXJSBRJVSAZ-KOLCDFICSA-N 0 3 224.308 0.813 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000167381761 488164400 /nfs/dbraw/zinc/16/44/00/488164400.db2.gz AEPHYRSZXLVCBB-GARJFASQSA-N 0 3 226.320 0.670 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@H]2CCNC2=O)C1(C)C ZINC000390586953 488167888 /nfs/dbraw/zinc/16/78/88/488167888.db2.gz YKOQCNBIMFLVSH-LPEHRKFASA-N 0 3 226.320 0.668 20 0 BCADHN CCNC(=O)CN(C)CCn1ccnc1C ZINC000677980887 488167974 /nfs/dbraw/zinc/16/79/74/488167974.db2.gz MXHMLNZQSGKOCE-UHFFFAOYSA-N 0 3 224.308 0.259 20 0 BCADHN Cc1ncc(CN2CC[C@H]([C@@H](C)O)C2)n1C ZINC000667959261 488168330 /nfs/dbraw/zinc/16/83/30/488168330.db2.gz JETNKVMXWSAYSZ-KOLCDFICSA-N 0 3 223.320 0.931 20 0 BCADHN CCCn1cc(C(=O)NC[C@@H](C)N(C)C)nn1 ZINC000678005653 488172515 /nfs/dbraw/zinc/17/25/15/488172515.db2.gz SRROOTHAOCKXQF-SECBINFHSA-N 0 3 239.323 0.368 20 0 BCADHN CC(C)O[C@@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000404627945 488172648 /nfs/dbraw/zinc/17/26/48/488172648.db2.gz FBXIQYLHFWPFGI-OLZOCXBDSA-N 0 3 242.363 0.864 20 0 BCADHN O=C(NC1CCN(C2CC2)CC1)c1ncc[nH]1 ZINC000665802702 488176516 /nfs/dbraw/zinc/17/65/16/488176516.db2.gz MTFYFNZJENSOID-UHFFFAOYSA-N 0 3 234.303 0.766 20 0 BCADHN C[C@H](N)C(=O)N1CCC(F)(F)C[C@H]1C ZINC000606279462 488177560 /nfs/dbraw/zinc/17/75/60/488177560.db2.gz PGSHAXJLCIRRAZ-RQJHMYQMSA-N 0 3 206.236 0.980 20 0 BCADHN O=C(CO)N[C@H](CN1CCCC1)c1ccccc1 ZINC000136307284 488178524 /nfs/dbraw/zinc/17/85/24/488178524.db2.gz FYZVBAUXMUTDDS-CYBMUJFWSA-N 0 3 248.326 0.932 20 0 BCADHN C[C@H](CO)CN1CCC[C@@H](N2CCCC2=O)C1 ZINC000678044419 488179980 /nfs/dbraw/zinc/17/99/80/488179980.db2.gz ARWYGMMVABBCQR-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN CCC(=O)N[C@H]1CCCN(C[C@H](C)CO)C1 ZINC000678045736 488182236 /nfs/dbraw/zinc/18/22/36/488182236.db2.gz PFCREGIKWTUNTJ-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN CO[C@@H]1CC[C@@H]2OCCN(C[C@H](C)CO)[C@@H]2C1 ZINC000678046186 488182302 /nfs/dbraw/zinc/18/23/02/488182302.db2.gz QCWYWIXHURZGDT-LOWDOPEQSA-N 0 3 243.347 0.883 20 0 BCADHN C[C@H](CO)CN1CC[C@H](N2CCCC2=O)C1 ZINC000678046023 488182341 /nfs/dbraw/zinc/18/23/41/488182341.db2.gz NXFAWDTUKCUZAT-QWRGUYRKSA-N 0 3 226.320 0.312 20 0 BCADHN O=C([C@@H](O)C1CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000668007870 488182944 /nfs/dbraw/zinc/18/29/44/488182944.db2.gz HRILKWSFJZRVCR-NEPJUHHUSA-N 0 3 238.331 0.454 20 0 BCADHN CCOCC[C@@H](O)CN1CCCOC[C@@H]1C ZINC000683522334 488183826 /nfs/dbraw/zinc/18/38/26/488183826.db2.gz XUWHPORPHVSZIK-NWDGAFQWSA-N 0 3 231.336 0.885 20 0 BCADHN O=C(C[C@H]1CNCCO1)N1CCCC(F)(F)C1 ZINC000259646532 488183972 /nfs/dbraw/zinc/18/39/72/488183972.db2.gz XGPFCGIRZHXKEG-VIFPVBQESA-N 0 3 248.273 0.623 20 0 BCADHN C[C@H](CO)CN1CCN(C[C@H](C)CO)[C@H](C)C1 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CCCc1cc(C(=O)N2CCNC[C@H]2C)n[nH]1 ZINC000124519409 490157170 /nfs/dbraw/zinc/15/71/70/490157170.db2.gz CGZKQLIWXSKBTL-SECBINFHSA-N 0 3 236.319 0.796 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@H]2COC[C@]2(C)C1 ZINC000661696976 490174795 /nfs/dbraw/zinc/17/47/95/490174795.db2.gz NOJCPPOMHHOFHP-SCVCMEIPSA-N 0 3 226.320 0.431 20 0 BCADHN C[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cn[nH]c1 ZINC000652259945 490176556 /nfs/dbraw/zinc/17/65/56/490176556.db2.gz ZYQISXBBADAKLC-BHNWBGBOSA-N 0 3 208.265 0.324 20 0 BCADHN COCC1CCN(C(=O)CNC(C)C)CC1 ZINC000069632989 490178674 /nfs/dbraw/zinc/17/86/74/490178674.db2.gz FDIKBNFCJKKUEK-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN CCC[C@H](CNCC(=O)N(C)C)OC ZINC000382320347 490195039 /nfs/dbraw/zinc/19/50/39/490195039.db2.gz SVMACBGILIEAEV-SECBINFHSA-N 0 3 202.298 0.479 20 0 BCADHN C[C@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN1C ZINC000092457779 490202442 /nfs/dbraw/zinc/20/24/42/490202442.db2.gz GUUXLVAALYVQOY-VWYCJHECSA-N 0 3 226.320 0.622 20 0 BCADHN CN(C[C@@H]1CN(C)CCO1)[C@H]1CCCOC1 ZINC000674303181 490206320 /nfs/dbraw/zinc/20/63/20/490206320.db2.gz UPWXSGQDEULTAK-RYUDHWBXSA-N 0 3 228.336 0.428 20 0 BCADHN COc1ccnc(C(=O)N2C[C@H](C)NC[C@@H]2C)c1 ZINC000237357559 490207415 /nfs/dbraw/zinc/20/74/15/490207415.db2.gz JGDKRFZWGYZVPV-UWVGGRQHSA-N 0 3 249.314 0.913 20 0 BCADHN C[C@H]1C[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000061524143 490214475 /nfs/dbraw/zinc/21/44/75/490214475.db2.gz VCFNXZINDCPQPI-NWDGAFQWSA-N 0 3 239.363 0.396 20 0 BCADHN C[C@@H](CO)CN1CCCN(CC(F)F)CC1 ZINC000130074528 490218083 /nfs/dbraw/zinc/21/80/83/490218083.db2.gz NWFUOTCQRYPWHM-SNVBAGLBSA-N 0 3 236.306 0.888 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@H](C)N(C)C ZINC000078747799 490225154 /nfs/dbraw/zinc/22/51/54/490225154.db2.gz VDBCWYAESJDGDW-RYUDHWBXSA-N 0 3 241.379 0.735 20 0 BCADHN COCC[C@@H](C)NC(=O)[C@H](N)CC(C)C ZINC000081711265 490242446 /nfs/dbraw/zinc/24/24/46/490242446.db2.gz CHGUCZLHOAKCSS-NXEZZACHSA-N 0 3 216.325 0.901 20 0 BCADHN Cc1cn[nH]c1CN1CC[C@H](Cn2ccnn2)C1 ZINC000668452832 490249262 /nfs/dbraw/zinc/24/92/62/490249262.db2.gz ODDKUIDFRIRUDZ-NSHDSACASA-N 0 3 246.318 0.832 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@H]1CCCOC1 ZINC000071013511 490252555 /nfs/dbraw/zinc/25/25/55/490252555.db2.gz SOQBAQGZAJSREW-BDAKNGLRSA-N 0 3 200.282 0.280 20 0 BCADHN C[C@H](N)C(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000082255897 490275902 /nfs/dbraw/zinc/27/59/02/490275902.db2.gz AOKWCQGZVQKFAL-WDSKDSINSA-N 0 3 242.304 0.675 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCCOCCF ZINC000663003212 490276324 /nfs/dbraw/zinc/27/63/24/490276324.db2.gz KVTZGHQIWCJRSU-MRVPVSSYSA-N 0 3 218.272 0.087 20 0 BCADHN CC[C@H](C)N1CC[C@@H](S(=O)(=O)NC)C1 ZINC000558607496 490281536 /nfs/dbraw/zinc/28/15/36/490281536.db2.gz FYMMLZAKGSBEQA-DTWKUNHWSA-N 0 3 220.338 0.408 20 0 BCADHN O=C(c1cccc2c1CCNC2)N1CCOCC1 ZINC000124072154 490283773 /nfs/dbraw/zinc/28/37/73/490283773.db2.gz ZRLYEJBAEOGMJD-UHFFFAOYSA-N 0 3 246.310 0.805 20 0 BCADHN O=C(c1cccc2c1CCNC2)N1CCNCC1 ZINC000124134476 490295220 /nfs/dbraw/zinc/29/52/20/490295220.db2.gz JYTRUTLTDZOMMB-UHFFFAOYSA-N 0 3 245.326 0.378 20 0 BCADHN CN1C[C@@H](NC[C@@H](O)C(F)(F)F)CCC1=O ZINC000082756913 490301215 /nfs/dbraw/zinc/30/12/15/490301215.db2.gz ZOQOWLKATBZJHS-NKWVEPMBSA-N 0 3 240.225 0.120 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2ccnnc2C)C1 ZINC000677051058 490332842 /nfs/dbraw/zinc/33/28/42/490332842.db2.gz PNKIOVWUGNGHRG-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN CC[C@@H]1CC[C@@H]1N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000668505831 490341724 /nfs/dbraw/zinc/34/17/24/490341724.db2.gz DGSMBSLKTFOTDX-VPOLOUISSA-N 0 3 247.360 0.577 20 0 BCADHN CCC(CC)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000668505886 490341778 /nfs/dbraw/zinc/34/17/78/490341778.db2.gz DTAPFUAIWAEXCR-VHSXEESVSA-N 0 3 235.349 0.577 20 0 BCADHN CC[C@H](N)c1cn(CC(=O)N(C)CC)nn1 ZINC000229942487 490368680 /nfs/dbraw/zinc/36/86/80/490368680.db2.gz SUXPKVCYVYNKIH-QMMMGPOBSA-N 0 3 225.296 0.166 20 0 BCADHN CCC[C@H](N)c1cn(CC(=O)NCC)nn1 ZINC000229956166 490370870 /nfs/dbraw/zinc/37/08/70/490370870.db2.gz FRDYDYPOKXSLLJ-QMMMGPOBSA-N 0 3 225.296 0.214 20 0 BCADHN CCC[C@@H](N)c1cn(C[C@H](O)COC)nn1 ZINC000229954097 490372304 /nfs/dbraw/zinc/37/23/04/490372304.db2.gz CYVHGFPLTACBRB-DTWKUNHWSA-N 0 3 228.296 0.085 20 0 BCADHN C[C@@H](CO)CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000124711949 490399700 /nfs/dbraw/zinc/39/97/00/490399700.db2.gz HESIATPPIPVAAF-PWSUYJOCSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H](NCc1cc[nH]c1)[C@H]1CN(C)CCO1 ZINC000124862385 490406081 /nfs/dbraw/zinc/40/60/81/490406081.db2.gz GRLCHBNGGCGDIO-ZYHUDNBSSA-N 0 3 223.320 0.823 20 0 BCADHN COCC(C)(C)NC(=O)CNC(C)C ZINC000125413054 490431398 /nfs/dbraw/zinc/43/13/98/490431398.db2.gz FJXHJBXEKGNQCH-UHFFFAOYSA-N 0 3 202.298 0.526 20 0 BCADHN COCCOCCN(C)CCC(=O)NC1CC1 ZINC000079434232 490435114 /nfs/dbraw/zinc/43/51/14/490435114.db2.gz LFGCMOCTPLVTFJ-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN CN(CCN1CCOCC1)C[C@H](O)C1CC1 ZINC000079769351 490462364 /nfs/dbraw/zinc/46/23/64/490462364.db2.gz UDSFXMZHTVOASE-LBPRGKRZSA-N 0 3 228.336 0.021 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000131004171 490467076 /nfs/dbraw/zinc/46/70/76/490467076.db2.gz BQIOOVCFHSLEII-LSJOCFKGSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@H](O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000305719975 490472021 /nfs/dbraw/zinc/47/20/21/490472021.db2.gz OTIIRWKLWMAMFU-JTQLQIEISA-N 0 3 235.287 0.111 20 0 BCADHN CC[C@@H](CO)N1CCN(C[C@H](C)CO)CC1 ZINC000121078182 490473858 /nfs/dbraw/zinc/47/38/58/490473858.db2.gz LTZRCYMXXVFTLM-RYUDHWBXSA-N 0 3 230.352 0.003 20 0 BCADHN Cc1nn(C)cc1CNCC(C)(C)CO ZINC000126081874 490481856 /nfs/dbraw/zinc/48/18/56/490481856.db2.gz QRFKKXJRCPXJTB-UHFFFAOYSA-N 0 3 211.309 0.837 20 0 BCADHN Nc1cccc(CN2CC[C@@H](O)[C@H](CO)C2)c1 ZINC000396930006 490483318 /nfs/dbraw/zinc/48/33/18/490483318.db2.gz OINATMXCSHRSOF-WCQYABFASA-N 0 3 236.315 0.444 20 0 BCADHN CC[C@H](C(=O)NCC(C)(C)CO)N(C)C ZINC000127638275 490550745 /nfs/dbraw/zinc/55/07/45/490550745.db2.gz GODSKCGTJJXNKQ-SECBINFHSA-N 0 3 216.325 0.461 20 0 BCADHN COc1cc(C)nc(N(C)CCN(C)C)n1 ZINC000080685290 490649395 /nfs/dbraw/zinc/64/93/95/490649395.db2.gz XQRJNNUTFGTHFZ-UHFFFAOYSA-N 0 3 224.308 0.791 20 0 BCADHN O=C(CN1CC[C@@]2(C1)CCCOC2)NC1CC1 ZINC000368505478 490691746 /nfs/dbraw/zinc/69/17/46/490691746.db2.gz VUMAZLWOWLCZFQ-CYBMUJFWSA-N 0 3 238.331 0.768 20 0 BCADHN CN1CCN(CCn2cccn2)CC1(C)C ZINC000670984999 491062141 /nfs/dbraw/zinc/06/21/41/491062141.db2.gz QIUUZHSVZFHFNC-UHFFFAOYSA-N 0 3 222.336 0.909 20 0 BCADHN COC[C@@H](CNCc1cncnc1)OC ZINC000227705902 491064827 /nfs/dbraw/zinc/06/48/27/491064827.db2.gz FWZCSVXVAKUYET-SNVBAGLBSA-N 0 3 211.265 0.228 20 0 BCADHN CN1CCC[C@@H](N[C@H]2CCCOC2)C1=O ZINC000308935504 491050643 /nfs/dbraw/zinc/05/06/43/491050643.db2.gz KSHPGYCIFNCDIG-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C[C@@H](O)C1CC1 ZINC000087557046 491090187 /nfs/dbraw/zinc/09/01/87/491090187.db2.gz MHKKHRGCAFGROH-LLVKDONJSA-N 0 3 228.336 0.556 20 0 BCADHN COC[C@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366462655 491093873 /nfs/dbraw/zinc/09/38/73/491093873.db2.gz OTVNUQITCNSZTE-CIUDSAMLSA-N 0 3 218.272 0.085 20 0 BCADHN C[C@@H]1CN(C(=O)CN)CCN1Cc1ccccc1 ZINC000082254670 491107664 /nfs/dbraw/zinc/10/76/64/491107664.db2.gz ALOVEUXNTXLDGV-GFCCVEGCSA-N 0 3 247.342 0.678 20 0 BCADHN Cc1cnc(C(=O)NC[C@H](C)N(C)C)o1 ZINC000291769068 491113176 /nfs/dbraw/zinc/11/31/76/491113176.db2.gz NMCFTSZDSFMCHX-ZETCQYMHSA-N 0 3 211.265 0.663 20 0 BCADHN CC[C@@H](N)c1cn(Cc2nc(C3CC3)no2)nn1 ZINC000229933259 491121249 /nfs/dbraw/zinc/12/12/49/491121249.db2.gz XTCCGPRIQHMRNN-MRVPVSSYSA-N 0 3 248.290 0.997 20 0 BCADHN CC[C@H](N)c1cn([C@H](C)C(=O)NC2CC2)nn1 ZINC000229939615 491121432 /nfs/dbraw/zinc/12/14/32/491121432.db2.gz CFWJPMXGXCJYRA-APPZFPTMSA-N 0 3 237.307 0.528 20 0 BCADHN CCn1nccc1CNC(=O)[C@H](N)C1CCC1 ZINC000663001188 491121618 /nfs/dbraw/zinc/12/16/18/491121618.db2.gz QPGRGBGKYRUXBM-LLVKDONJSA-N 0 3 236.319 0.647 20 0 BCADHN CCn1ccnc1CN(C)CC1CN(C)C1 ZINC000668539587 491127505 /nfs/dbraw/zinc/12/75/05/491127505.db2.gz DNELUHNKVDQDRM-UHFFFAOYSA-N 0 3 222.336 0.896 20 0 BCADHN C[C@H](N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 ZINC000223106821 491134625 /nfs/dbraw/zinc/13/46/25/491134625.db2.gz ZIXQDNWXBKXLMI-GUBZILKMSA-N 0 3 233.333 0.331 20 0 BCADHN CCN(CC)C[C@H](C)NS(C)(=O)=O ZINC000081576172 491135427 /nfs/dbraw/zinc/13/54/27/491135427.db2.gz VFGWNIBHHRHBSB-QMMMGPOBSA-N 0 3 208.327 0.266 20 0 BCADHN CCOC[C@H](O)CN1CC(C(C)C)C1 ZINC000308696670 491137753 /nfs/dbraw/zinc/13/77/53/491137753.db2.gz TVKSYRQMYMVWMA-LLVKDONJSA-N 0 3 201.310 0.972 20 0 BCADHN CC[C@@H](O)CN1CCN(CC)[C@H](C)C1 ZINC000082484250 491147282 /nfs/dbraw/zinc/14/72/82/491147282.db2.gz MCGCXZYMLKQMNM-GHMZBOCLSA-N 0 3 200.326 0.783 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCN(CCO)[C@@H](C)C1 ZINC000488516943 533719394 /nfs/dbraw/zinc/71/93/94/533719394.db2.gz QVAGWKJCBHIDKT-GRYCIOLGSA-N 0 3 212.337 0.641 20 0 BCADHN C[C@@H](C[NH+](C)C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000493413527 533727034 /nfs/dbraw/zinc/72/70/34/533727034.db2.gz BGBGEKUZZMEMDU-YEZKRMTDSA-N 0 3 249.314 0.867 20 0 BCADHN C[C@@H](O)C[C@@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000512441600 533728717 /nfs/dbraw/zinc/72/87/17/533728717.db2.gz QDTROSGKNQIOLC-KXUCPTDWSA-N 0 3 231.340 0.395 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H]1CCOC[C@@H]1C ZINC000502898950 533733285 /nfs/dbraw/zinc/73/32/85/533733285.db2.gz KQNQWJYIPZBIFA-GARJFASQSA-N 0 3 243.351 0.661 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1C[C@@H]1C(F)F ZINC000512410367 533732296 /nfs/dbraw/zinc/73/22/96/533732296.db2.gz JKDODDZEEJBPIF-FXQIFTODSA-N 0 3 235.278 0.889 20 0 BCADHN C[C@@H]1CCC[C@@]1(O)CNC(=O)/C=C/CN(C)C ZINC000493028559 533804566 /nfs/dbraw/zinc/80/45/66/533804566.db2.gz UUUVPRJMYXXEBO-BVKQBWKVSA-N 0 3 240.347 0.772 20 0 BCADHN COC(=O)N1CC(NC[C@@H](O)CCC(C)C)C1 ZINC000496459258 533930905 /nfs/dbraw/zinc/93/09/05/533930905.db2.gz IIOZBSSXJORYPV-NSHDSACASA-N 0 3 244.335 0.824 20 0 BCADHN CCO[C@H](C)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000261532491 535549116 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/nfs/dbraw/zinc/19/56/80/535195680.db2.gz CVLQMZGDTKPOHN-NSHDSACASA-N 0 3 239.319 0.091 20 0 BCADHN CCCN(C)CC(=O)N1CCNC[C@@H]1C ZINC000261908128 535247341 /nfs/dbraw/zinc/24/73/41/535247341.db2.gz XMXHADZKHKFJOV-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)CC(=O)OCC ZINC000351946830 535250410 /nfs/dbraw/zinc/25/04/10/535250410.db2.gz JGLXTCRMLSHPQU-JTQLQIEISA-N 0 3 244.335 0.786 20 0 BCADHN CC(C)[C@H]1C[C@H](NC(=O)C2(N)CC2)CCO1 ZINC000334957060 535260743 /nfs/dbraw/zinc/26/07/43/535260743.db2.gz MWERJIKJRSTERD-NXEZZACHSA-N 0 3 226.320 0.798 20 0 BCADHN CC(C)[C@@H]1CN(CC2(O)CCOCC2)CCO1 ZINC000351107904 535262060 /nfs/dbraw/zinc/26/20/60/535262060.db2.gz ZOPJCDRHBCERQK-LBPRGKRZSA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)OCC[C@@H](O)CN1CCN(C)C[C@@H]1C ZINC000349188586 535342294 /nfs/dbraw/zinc/34/22/94/535342294.db2.gz BOBXTOLHSVWJJB-QWHCGFSZSA-N 0 3 244.379 0.798 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CC[C@H](O)C1 ZINC000335308760 535364156 /nfs/dbraw/zinc/36/41/56/535364156.db2.gz BIMCURBLSCRBKB-QWRGUYRKSA-N 0 3 226.320 0.454 20 0 BCADHN CC[C@@H](C(=O)NCCc1ncc[nH]1)N(C)C ZINC000178199355 535416315 /nfs/dbraw/zinc/41/63/15/535416315.db2.gz NUSFOQDUYSQYSR-VIFPVBQESA-N 0 3 224.308 0.409 20 0 BCADHN CC[C@@H](C(N)=O)N(C)CCN1CCCC1 ZINC000063052866 535449690 /nfs/dbraw/zinc/44/96/90/535449690.db2.gz IGAIGTSEOOJBFT-JTQLQIEISA-N 0 3 213.325 0.278 20 0 BCADHN CCOCCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000261551346 535450987 /nfs/dbraw/zinc/45/09/87/535450987.db2.gz QJUMHCDMRXDUHM-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CCC[C@@H]1C[C@@H]1NC(=O)[C@H](N)CCC(=O)OC ZINC000342653485 535461686 /nfs/dbraw/zinc/46/16/86/535461686.db2.gz AOCKXWCBVMELIU-BBBLOLIVSA-N 0 3 242.319 0.572 20 0 BCADHN CCC[C@@H]1C[C@@H]1NC(=O)[C@H](CN)OC ZINC000261529983 535462453 /nfs/dbraw/zinc/46/24/53/535462453.db2.gz WPWNENKJDXQBSK-VGMNWLOBSA-N 0 3 200.282 0.265 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N1CC[C@H](O)C1 ZINC000336101933 535496181 /nfs/dbraw/zinc/49/61/81/535496181.db2.gz RKRSFYOLDWLYFE-QWRGUYRKSA-N 0 3 226.320 0.454 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCCNC(C)=O ZINC000262630966 535527441 /nfs/dbraw/zinc/52/74/41/535527441.db2.gz WIGJIYWZOZBBIJ-LLVKDONJSA-N 0 3 229.324 0.146 20 0 BCADHN CCOC(=O)CCCN(CCO)C[C@@H](C)O ZINC000351924256 535631390 /nfs/dbraw/zinc/63/13/90/535631390.db2.gz DSHTYWFFQBLXEV-SNVBAGLBSA-N 0 3 233.308 0.005 20 0 BCADHN CCN(C(=O)CCOC1CNC1)C1CC1 ZINC000261556243 535661470 /nfs/dbraw/zinc/66/14/70/535661470.db2.gz VUSLBIZILDDFLM-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN CCOCCO[C@H]1CCN(C[C@H](O)COC)C1 ZINC000178921858 535660025 /nfs/dbraw/zinc/66/00/25/535660025.db2.gz YQBGETPWXHJEDI-RYUDHWBXSA-N 0 3 247.335 0.121 20 0 BCADHN CCN(C(=O)CCOC1CNC1)C1CCC1 ZINC000349008613 535661003 /nfs/dbraw/zinc/66/10/03/535661003.db2.gz WDWWLHXVNMIEID-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000248663288 535677461 /nfs/dbraw/zinc/67/74/61/535677461.db2.gz ZKYWOSGBUIMCSN-YNEHKIRRSA-N 0 3 248.326 0.888 20 0 BCADHN CCN1CCN(Cc2n[nH]c(C3CC3)n2)CC1 ZINC000180404724 535723023 /nfs/dbraw/zinc/72/30/23/535723023.db2.gz UZIGFWJVPMIUOX-UHFFFAOYSA-N 0 3 235.335 0.820 20 0 BCADHN CC[C@@H](CCO)CNC(=O)C1(N)CC1 ZINC000087370318 535740232 /nfs/dbraw/zinc/74/02/32/535740232.db2.gz ZNTONUBCPJLNFR-QMMMGPOBSA-N 0 3 200.282 0.003 20 0 BCADHN CC[C@@H](CCO)CNC(=O)C1(N)CCCC1 ZINC000087370360 535741316 /nfs/dbraw/zinc/74/13/16/535741316.db2.gz VMMHQDLNKYZULO-JTQLQIEISA-N 0 3 228.336 0.783 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](CN)OC)C(C)C ZINC000227377759 535797834 /nfs/dbraw/zinc/79/78/34/535797834.db2.gz JGISOFAONLFGCA-RKDXNWHRSA-N 0 3 202.298 0.511 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CCOC1 ZINC000252450311 535847169 /nfs/dbraw/zinc/84/71/69/535847169.db2.gz ITCLAOUACZKQGT-IVZWLZJFSA-N 0 3 214.309 0.513 20 0 BCADHN CCn1nccc1NC(=O)[C@H](N)C(C)C ZINC000261532538 535883440 /nfs/dbraw/zinc/88/34/40/535883440.db2.gz AMGMVLCUKOAHGJ-SECBINFHSA-N 0 3 210.281 0.825 20 0 BCADHN CN(C)CCNC(=O)NCC[C@@H]1CCCCO1 ZINC000182208464 535885528 /nfs/dbraw/zinc/88/55/28/535885528.db2.gz MDOFMQGRAJPVLE-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCSC1 ZINC000169942899 535888006 /nfs/dbraw/zinc/88/80/06/535888006.db2.gz PLALVTVKMUCAAF-QMMMGPOBSA-N 0 3 202.323 0.417 20 0 BCADHN CC[C@H](C)[C@@H](O)CN[C@H]1CCCS(=O)(=O)C1 ZINC000252733485 535896942 /nfs/dbraw/zinc/89/69/42/535896942.db2.gz ZPIRPPCVUAXSOQ-DCAQKATOSA-N 0 3 249.376 0.560 20 0 BCADHN CN(C)CCOCCNC(=O)COC(C)(C)C ZINC000226520946 535896291 /nfs/dbraw/zinc/89/62/91/535896291.db2.gz TWKOPDHLAVQJDD-UHFFFAOYSA-N 0 3 246.351 0.496 20 0 BCADHN CC[C@]1(C)CCN(CC(=O)NC(N)=O)C1 ZINC000336049458 535909555 /nfs/dbraw/zinc/90/95/55/535909555.db2.gz KBMXSCHPPJFRGS-SNVBAGLBSA-N 0 3 213.281 0.303 20 0 BCADHN CN(C)CC[C@@](C)(O)CNC(=O)C1CC1 ZINC000352108252 535923826 /nfs/dbraw/zinc/92/38/26/535923826.db2.gz WDFZOGADJACBND-LLVKDONJSA-N 0 3 214.309 0.215 20 0 BCADHN CN(C)CC[C@](C)(O)CNC(=O)C1CCCC1 ZINC000352125582 535925979 /nfs/dbraw/zinc/92/59/79/535925979.db2.gz JIVORKRCHHBFCH-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)CCOC1CNC1 ZINC000348994992 535935012 /nfs/dbraw/zinc/93/50/12/535935012.db2.gz UUUVCZOSKZFAMI-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN CN(C)C[C@@H]1CN(C[C@@H]2CCC=CO2)CCO1 ZINC000193582172 535948296 /nfs/dbraw/zinc/94/82/96/535948296.db2.gz JQKQZUCWBQDNHF-QWHCGFSZSA-N 0 3 240.347 0.942 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)Cc1ccoc1 ZINC000185542860 535970389 /nfs/dbraw/zinc/97/03/89/535970389.db2.gz JGFZQLSKRQBSIN-GFCCVEGCSA-N 0 3 240.303 0.251 20 0 BCADHN CC[C@H](O)CN(C)[C@H](C)C[S@](C)=O ZINC000248620951 535979950 /nfs/dbraw/zinc/97/99/50/535979950.db2.gz MUEJSYQJQOFSCP-ZDMBXUJBSA-N 0 3 207.339 0.456 20 0 BCADHN CCc1cccnc1NC(=O)[C@@H]1C[C@@H]1N ZINC000335380027 535989298 /nfs/dbraw/zinc/98/92/98/535989298.db2.gz LNPWFEISQZDCKG-BDAKNGLRSA-N 0 3 205.261 0.930 20 0 BCADHN CN(C(=O)C[C@H]1CNCCO1)[C@H]1CC1(C)C ZINC000335561953 536006006 /nfs/dbraw/zinc/00/60/06/536006006.db2.gz GKXHVAJDOBJDKG-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@](C)(OC)C(=O)NC[C@@](C)(O)CN(C)C ZINC000233986782 536014626 /nfs/dbraw/zinc/01/46/26/536014626.db2.gz LIMHSZXZJGTLBW-VXGBXAGGSA-N 0 3 246.351 0.230 20 0 BCADHN CC[C@H](OC)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000335966070 536017507 /nfs/dbraw/zinc/01/75/07/536017507.db2.gz SSYSGAGNZAXRJO-WCQYABFASA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@]1(C)CCN(C(=O)[C@H](CN)OC)C1 ZINC000261547533 536046353 /nfs/dbraw/zinc/04/63/53/536046353.db2.gz MKBTUVHAXOTWBV-ONGXEEELSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@H]1CCN(C(=O)[C@@H](N)CCC(=O)OC)C1 ZINC000342664070 536083341 /nfs/dbraw/zinc/08/33/41/536083341.db2.gz XHMFACHOQWVCIA-UWVGGRQHSA-N 0 3 242.319 0.525 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@@H](N)CC(C)C ZINC000087370351 536088601 /nfs/dbraw/zinc/08/86/01/536088601.db2.gz JPYGAJJOZDPYKL-MNOVXSKESA-N 0 3 230.352 0.885 20 0 BCADHN CCc1cc(N2CC(=O)N[C@@H](C)C2)ccn1 ZINC000335151792 536142852 /nfs/dbraw/zinc/14/28/52/536142852.db2.gz MVEARBBXLQUUND-VIFPVBQESA-N 0 3 219.288 0.969 20 0 BCADHN CN1CCC(C(=O)N[C@]2(C)CCOC2)CC1 ZINC000334335353 536334419 /nfs/dbraw/zinc/33/44/19/536334419.db2.gz AEYHPYOMBSULSB-GFCCVEGCSA-N 0 3 226.320 0.623 20 0 BCADHN CN(CCCCF)[C@H]1CCN(C)C1=O ZINC000352044422 536334661 /nfs/dbraw/zinc/33/46/61/536334661.db2.gz HLSJCSSGNKGXBO-VIFPVBQESA-N 0 3 202.273 0.899 20 0 BCADHN COC(=O)C[C@H](C)CC(=O)NC[C@H](C)N(C)C ZINC000347916381 536336216 /nfs/dbraw/zinc/33/62/16/536336216.db2.gz SNCFFVZUSKYPMX-ZJUUUORDSA-N 0 3 244.335 0.642 20 0 BCADHN CN1CCC(NC(=O)[C@@H]2CCSC2)CC1 ZINC000336210715 536342929 /nfs/dbraw/zinc/34/29/29/536342929.db2.gz VFSVRJOCQCDPIC-SECBINFHSA-N 0 3 228.361 0.950 20 0 BCADHN CN1CCC[C@H]1CNC(=O)C[C@@H]1CCOC1 ZINC000351968228 536390992 /nfs/dbraw/zinc/39/09/92/536390992.db2.gz PLFVMYPTCZAULR-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN CN1CCN(C)[C@@H](CNCc2ccncc2)C1 ZINC000225327595 536410830 /nfs/dbraw/zinc/41/08/30/536410830.db2.gz NBRIZCJVDWSMLK-ZDUSSCGKSA-N 0 3 234.347 0.417 20 0 BCADHN CO[C@H](CN)C(=O)N1[C@H](C)CC[C@H]1C ZINC000261529666 536558470 /nfs/dbraw/zinc/55/84/70/536558470.db2.gz BHPYNHQGMLHSPP-IWSPIJDZSA-N 0 3 200.282 0.360 20 0 BCADHN CO[C@H](CN)C(=O)N1CCc2c1cccc2F ZINC000335548907 536557759 /nfs/dbraw/zinc/55/77/59/536557759.db2.gz HNJIQVOSIPAVDP-LLVKDONJSA-N 0 3 238.262 0.689 20 0 BCADHN COCCCNC(=O)CN1CC[C@H](C)[C@H]1C ZINC000177065954 536568598 /nfs/dbraw/zinc/56/85/98/536568598.db2.gz WNBUMXVSZNUUMS-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN CO[C@@H]1CCC[C@@H]1CNC(=O)[C@@H](C)N ZINC000261533229 536619179 /nfs/dbraw/zinc/61/91/79/536619179.db2.gz KMJYFBAAWHRXOG-IWSPIJDZSA-N 0 3 200.282 0.265 20 0 BCADHN COC1(CN(C)[C@@H]2COC[C@H]2O)CCCC1 ZINC000348638125 536620497 /nfs/dbraw/zinc/62/04/97/536620497.db2.gz BBUWYYCJIJESLS-GHMZBOCLSA-N 0 3 229.320 0.637 20 0 BCADHN COC1(CNC(=O)NCCN(C)C)CCC1 ZINC000181810358 536656771 /nfs/dbraw/zinc/65/67/71/536656771.db2.gz WMZSWVOVVUKFLG-UHFFFAOYSA-N 0 3 229.324 0.416 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000151896203 536705810 /nfs/dbraw/zinc/70/58/10/536705810.db2.gz KJKGYJCTNHUNGA-ONGXEEELSA-N 0 3 230.283 0.325 20 0 BCADHN COCCN(CCC(C)C)[C@H](C)C(N)=O ZINC000171578070 536833224 /nfs/dbraw/zinc/83/32/24/536833224.db2.gz OTLBOBYBLJOKQH-SNVBAGLBSA-N 0 3 216.325 0.855 20 0 BCADHN COCCN(CCCCF)[C@@H](C)C(N)=O ZINC000352013704 536835217 /nfs/dbraw/zinc/83/52/17/536835217.db2.gz JZFFSCGYSHEQKY-VIFPVBQESA-N 0 3 220.288 0.558 20 0 BCADHN COCCN(CCO)CC1(SC)CC1 ZINC000347792317 536842877 /nfs/dbraw/zinc/84/28/77/536842877.db2.gz WSZCVIIJEICMQB-UHFFFAOYSA-N 0 3 219.350 0.823 20 0 BCADHN CO[C@H](C)[C@H](C)NC[C@@H](O)C(F)(F)F ZINC000222631242 536877201 /nfs/dbraw/zinc/87/72/01/536877201.db2.gz AUNASWRLFWRGOM-RRKCRQDMSA-N 0 3 215.215 0.923 20 0 BCADHN CS[C@@H](CO)[C@H](C)Nc1nc(C)cc(N)n1 ZINC000892627767 582933915 /nfs/dbraw/zinc/93/39/15/582933915.db2.gz CRIWODVEEXWNHY-YUMQZZPRSA-N 0 3 242.348 0.892 20 0 BCADHN CS[C@H](CO)[C@@H](C)Nc1nc(C)cc(N)n1 ZINC000892627761 582933952 /nfs/dbraw/zinc/93/39/52/582933952.db2.gz CRIWODVEEXWNHY-HTQZYQBOSA-N 0 3 242.348 0.892 20 0 BCADHN CC[C@H]1CN(C)CCCN1C(=O)[C@H](C)OC ZINC000300551162 566319610 /nfs/dbraw/zinc/31/96/10/566319610.db2.gz RWEJPEDTNZIBPS-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CCN(C)CCNC(=O)[C@@H](C)c1cnn(C)c1 ZINC000531170757 566336597 /nfs/dbraw/zinc/33/65/97/566336597.db2.gz ZOGMZBDDLOHZLC-JTQLQIEISA-N 0 3 238.335 0.592 20 0 BCADHN Cn1ccc(CN2CC[C@@H](c3nc[nH]n3)C2)n1 ZINC000333463997 566380090 /nfs/dbraw/zinc/38/00/90/566380090.db2.gz MHUBECAJYNITPJ-SECBINFHSA-N 0 3 232.291 0.528 20 0 BCADHN C[C@@H](NCCN1CCCC1)c1ccc(=O)[nH]n1 ZINC000353432953 566413580 /nfs/dbraw/zinc/41/35/80/566413580.db2.gz DTEYGWUXRJTRSW-SNVBAGLBSA-N 0 3 236.319 0.929 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2ccnnc2)C1 ZINC000151606602 566431713 /nfs/dbraw/zinc/43/17/13/566431713.db2.gz RGSPXENBEUFXAR-SNVBAGLBSA-N 0 3 234.303 0.548 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2ccnnc2)C1 ZINC000151606689 566431788 /nfs/dbraw/zinc/43/17/88/566431788.db2.gz RGSPXENBEUFXAR-JTQLQIEISA-N 0 3 234.303 0.548 20 0 BCADHN CC(C)[C@H](F)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000784512283 583016781 /nfs/dbraw/zinc/01/67/81/583016781.db2.gz NUHJDQGHQDOMNF-GXSJLCMTSA-N 0 3 232.299 0.163 20 0 BCADHN CC(C)(O)CN[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892950117 583017752 /nfs/dbraw/zinc/01/77/52/583017752.db2.gz AOQJQRRQMZPITI-ZJUUUORDSA-N 0 3 247.310 0.981 20 0 BCADHN Cc1ocnc1CNc1ccncc1CO ZINC000893029259 583032527 /nfs/dbraw/zinc/03/25/27/583032527.db2.gz QXQCISMRCZXRRP-UHFFFAOYSA-N 0 3 219.244 0.904 20 0 BCADHN C[C@H](O)C[C@H](C)Nc1ccncc1CO ZINC000893128279 583054027 /nfs/dbraw/zinc/05/40/27/583054027.db2.gz SLTKXKVPFXSZMM-IUCAKERBSA-N 0 3 210.277 0.567 20 0 BCADHN COc1ccc(CNC[C@@]2(O)CCOC2)o1 ZINC000893215851 583073026 /nfs/dbraw/zinc/07/30/26/583073026.db2.gz MCGIYNCYOVWRKQ-NSHDSACASA-N 0 3 227.260 0.529 20 0 BCADHN CCn1cc(CNCCN2CCC[C@@H]2C)nn1 ZINC000893358351 583121865 /nfs/dbraw/zinc/12/18/65/583121865.db2.gz VXTZJFIPEVRHCA-NSHDSACASA-N 0 3 237.351 0.872 20 0 BCADHN OCC1(N[C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893389411 583134155 /nfs/dbraw/zinc/13/41/55/583134155.db2.gz ZBHVHSSMIKANCO-NXEZZACHSA-N 0 3 245.294 0.735 20 0 BCADHN Cc1nsc(N2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000893933881 583251496 /nfs/dbraw/zinc/25/14/96/583251496.db2.gz DPHFZJMZWHYOKJ-IUCAKERBSA-N 0 3 224.333 0.987 20 0 BCADHN COc1ccc(CNC[C@]2(O)CCO[C@@H]2C)o1 ZINC000894119290 583311037 /nfs/dbraw/zinc/31/10/37/583311037.db2.gz WUDYYQCODFNBRS-BXKDBHETSA-N 0 3 241.287 0.918 20 0 BCADHN C[C@]1(NC(=O)c2ccc(N)cc2[O-])CC[NH2+]C1 ZINC000852931022 588713965 /nfs/dbraw/zinc/71/39/65/588713965.db2.gz QUMAAUDXQMOCJK-LBPRGKRZSA-N 0 3 235.287 0.456 20 0 BCADHN CN(C)CCNC(=S)N1CC[C@H]2C[C@H]2C1 ZINC000853027138 588716754 /nfs/dbraw/zinc/71/67/54/588716754.db2.gz NDYCSFBOAIIMNZ-UWVGGRQHSA-N 0 3 227.377 0.764 20 0 BCADHN CN1C[C@H](NC[C@H](O)c2ccccn2)CCC1=O ZINC000853100294 588719953 /nfs/dbraw/zinc/71/99/53/588719953.db2.gz BLYSYURPHXEXJA-PWSUYJOCSA-N 0 3 249.314 0.325 20 0 BCADHN O[C@@H](CN[C@H]1CCCOC1)c1ccccn1 ZINC000853099748 588720086 /nfs/dbraw/zinc/72/00/86/588720086.db2.gz VKBMYDNYZOUVJK-JQWIXIFHSA-N 0 3 222.288 0.884 20 0 BCADHN Cc1cc(CNC[C@H](O)c2ccccn2)[nH]n1 ZINC000853101348 588720253 /nfs/dbraw/zinc/72/02/53/588720253.db2.gz ZBEIQGOBTUVHGE-LBPRGKRZSA-N 0 3 232.287 0.936 20 0 BCADHN Cc1cc(CNC[C@H](O)c2ccccn2)n[nH]1 ZINC000853101348 588720254 /nfs/dbraw/zinc/72/02/54/588720254.db2.gz ZBEIQGOBTUVHGE-LBPRGKRZSA-N 0 3 232.287 0.936 20 0 BCADHN CCN1C[C@@H](NC[C@H](O)c2ccccn2)CC1=O ZINC000853107246 588720800 /nfs/dbraw/zinc/72/08/00/588720800.db2.gz QSIKAILIBWRKES-JQWIXIFHSA-N 0 3 249.314 0.325 20 0 BCADHN O[C@H](CN[C@@H]1C[C@@H](O)C1)c1cccc(F)c1 ZINC000853130681 588722030 /nfs/dbraw/zinc/72/20/30/588722030.db2.gz FZCCUZHSQMGIDE-IJLUTSLNSA-N 0 3 225.263 0.972 20 0 BCADHN CO[C@H]1C[C@@H](N[C@H]2CCNC2=O)C12CCC2 ZINC000853236932 588728226 /nfs/dbraw/zinc/72/82/26/588728226.db2.gz KHDIGNWTODHDBW-AEJSXWLSSA-N 0 3 224.304 0.422 20 0 BCADHN COCCCN(C)CCNc1cc(F)ncn1 ZINC000853377251 588738907 /nfs/dbraw/zinc/73/89/07/588738907.db2.gz KQCCVXYMCOGQIP-UHFFFAOYSA-N 0 3 242.298 0.996 20 0 BCADHN c1nncn1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000853586972 588748427 /nfs/dbraw/zinc/74/84/27/588748427.db2.gz CHSZLDZUWCZENV-ZJUUUORDSA-N 0 3 208.265 0.204 20 0 BCADHN CSc1cnc(N[C@H](CO)CN(C)C)nc1 ZINC000853625158 588749742 /nfs/dbraw/zinc/74/97/42/588749742.db2.gz PYNKSQOUIQSXBI-QMMMGPOBSA-N 0 3 242.348 0.533 20 0 BCADHN C[C@H](CCNC(=O)NCC[S@](C)=O)N(C)C ZINC000853782913 588763117 /nfs/dbraw/zinc/76/31/17/588763117.db2.gz ABUYIYCQAVMLJX-ABKXIKBNSA-N 0 3 249.380 0.004 20 0 BCADHN O=C(/C=C\c1ccco1)N1CCOC2(CNC2)C1 ZINC000854016087 588771727 /nfs/dbraw/zinc/77/17/27/588771727.db2.gz YPWUYFMQGVVQFL-ARJAWSKDSA-N 0 3 248.282 0.494 20 0 BCADHN CC(C)(C)/C=C/C(=O)N1CCOC2(CNC2)C1 ZINC000854015142 588771766 /nfs/dbraw/zinc/77/17/66/588771766.db2.gz ITBRWDZYQXSVQS-SNAWJCMRSA-N 0 3 238.331 0.790 20 0 BCADHN Cc1cc(NC(=O)C[C@H]2CNCCO2)ccc1N ZINC000854013736 588771969 /nfs/dbraw/zinc/77/19/69/588771969.db2.gz DOIGWNCFHZHJHT-NSHDSACASA-N 0 3 249.314 0.894 20 0 BCADHN CC1=NO[C@@H](C(=O)N(C)C2CCN(C)CC2)C1 ZINC000854123073 588775378 /nfs/dbraw/zinc/77/53/78/588775378.db2.gz FVKSOSQUZJKJSN-LLVKDONJSA-N 0 3 239.319 0.704 20 0 BCADHN CCn1cnc(-c2nc(N3CCNCC3)no2)c1 ZINC000854163136 588777376 /nfs/dbraw/zinc/77/73/76/588777376.db2.gz KQQPBDSAXVECBD-UHFFFAOYSA-N 0 3 248.290 0.363 20 0 BCADHN Cc1ccoc1Cc1nc(N2CCNCC2)no1 ZINC000854163442 588777447 /nfs/dbraw/zinc/77/74/47/588777447.db2.gz VINLKYJYGUODRR-UHFFFAOYSA-N 0 3 248.286 0.971 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@@H]1C=CCC1 ZINC000854221772 588780336 /nfs/dbraw/zinc/78/03/36/588780336.db2.gz VAXNRLOZGMXRSZ-OUAUKWLOSA-N 0 3 224.304 0.588 20 0 BCADHN CCN1CCC(NC(=O)[C@@H]2CC(C)=NO2)CC1 ZINC000854297916 588783002 /nfs/dbraw/zinc/78/30/02/588783002.db2.gz XVILUTINDRMGFF-NSHDSACASA-N 0 3 239.319 0.752 20 0 BCADHN O=C(Cc1ncc[nH]1)NCCN1CCCC1 ZINC000854298640 588783199 /nfs/dbraw/zinc/78/31/99/588783199.db2.gz HNEIYYBQWGQPTL-UHFFFAOYSA-N 0 3 222.292 0.164 20 0 BCADHN CN1CCC(CC(=O)NN2CCCC2)CC1 ZINC000854326054 588783750 /nfs/dbraw/zinc/78/37/50/588783750.db2.gz FHJNGWLLKLWPJF-UHFFFAOYSA-N 0 3 225.336 0.845 20 0 BCADHN C[C@@H](C(=O)[N-]OC1CC[NH+](C)CC1)N(C)C ZINC000854357257 588784815 /nfs/dbraw/zinc/78/48/15/588784815.db2.gz WIXNCIOLWOGBRE-VIFPVBQESA-N 0 3 229.324 0.079 20 0 BCADHN Cc1ccc(C(=O)N[C@@H](CO)CN(C)C)nc1 ZINC000854466767 588788756 /nfs/dbraw/zinc/78/87/56/588788756.db2.gz KELHJZICLGDSIS-SNVBAGLBSA-N 0 3 237.303 0.042 20 0 BCADHN CN1CC[C@]2(CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000854605267 588796850 /nfs/dbraw/zinc/79/68/50/588796850.db2.gz JKLVTXAHKRSUHO-ZDUSSCGKSA-N 0 3 248.330 0.506 20 0 BCADHN C[C@H]1[C@@H](N(C)C)CCN1C(=O)c1ccc(C=O)[nH]1 ZINC000854655608 588799583 /nfs/dbraw/zinc/79/95/83/588799583.db2.gz QXQXFQFCEREQHB-CABZTGNLSA-N 0 3 249.314 0.992 20 0 BCADHN CC1=NO[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC000854797752 588810061 /nfs/dbraw/zinc/81/00/61/588810061.db2.gz ONYHOLBDZFZFSC-JTQLQIEISA-N 0 3 239.319 0.752 20 0 BCADHN CC1=NO[C@H](CNC(=O)C2CCN(C)CC2)C1 ZINC000854795861 588810263 /nfs/dbraw/zinc/81/02/63/588810263.db2.gz CNLFOLNHVHLWJF-NSHDSACASA-N 0 3 239.319 0.609 20 0 BCADHN Cc1[nH]cnc1CC(=O)NC[C@H]1CC(C)=NO1 ZINC000854803294 588810936 /nfs/dbraw/zinc/81/09/36/588810936.db2.gz RCAFVNJWZYRUTC-SECBINFHSA-N 0 3 236.275 0.542 20 0 BCADHN CN(C)CCONC(=O)c1cc(C2CC2)no1 ZINC000854944892 588817476 /nfs/dbraw/zinc/81/74/76/588817476.db2.gz AUXYPJRIITZLTE-UHFFFAOYSA-N 0 3 239.275 0.775 20 0 BCADHN CN(C)CCONC(=O)c1cnn(C)c1Cl ZINC000854945710 588817513 /nfs/dbraw/zinc/81/75/13/588817513.db2.gz YOZJSRHXQWBKNP-UHFFFAOYSA-N 0 3 246.698 0.297 20 0 BCADHN CC(C)n1ccc(C(=O)NOCCN(C)C)n1 ZINC000854945100 588817763 /nfs/dbraw/zinc/81/77/63/588817763.db2.gz AVFCVAOXJUTESG-UHFFFAOYSA-N 0 3 240.307 0.687 20 0 BCADHN CC[C@H]1C[C@H](C(=O)NOCCN(C)C)CCO1 ZINC000854945883 588817802 /nfs/dbraw/zinc/81/78/02/588817802.db2.gz UEVKMVFURFOBSH-MNOVXSKESA-N 0 3 244.335 0.801 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)NOCCN(C)C)CCO1 ZINC000854945818 588817846 /nfs/dbraw/zinc/81/78/46/588817846.db2.gz QQPSGYWAUHDDSK-ZJUUUORDSA-N 0 3 230.308 0.411 20 0 BCADHN CN(C)CCONC(=O)[C@H]1CCCOCC1 ZINC000854945575 588817848 /nfs/dbraw/zinc/81/78/48/588817848.db2.gz UAHFNJICHUXJPI-JTQLQIEISA-N 0 3 230.308 0.413 20 0 BCADHN CC(C)n1cnc(C(=O)NOCCN(C)C)c1 ZINC000854945402 588817906 /nfs/dbraw/zinc/81/79/06/588817906.db2.gz OOESIWIQNFGOHC-UHFFFAOYSA-N 0 3 240.307 0.687 20 0 BCADHN CN(C)CCONC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000854945182 588817949 /nfs/dbraw/zinc/81/79/49/588817949.db2.gz DLZOOWXPYZQIGK-GXSJLCMTSA-N 0 3 228.292 0.022 20 0 BCADHN CN(C)CCONC(=O)c1ccn(C)c1 ZINC000854945133 588818082 /nfs/dbraw/zinc/81/80/82/588818082.db2.gz BZRZOGJHYOZEAX-UHFFFAOYSA-N 0 3 211.265 0.248 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)Cc1ncc[nH]1 ZINC000854967829 588819152 /nfs/dbraw/zinc/81/91/52/588819152.db2.gz KXOQDWVTKYWSHM-JTQLQIEISA-N 0 3 236.319 0.505 20 0 BCADHN CC1=NO[C@@H](C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000854967656 588819171 /nfs/dbraw/zinc/81/91/71/588819171.db2.gz GZXJNOWWLZNPFE-GHMZBOCLSA-N 0 3 239.319 0.704 20 0 BCADHN C[C@@H](CNC(=O)/C=C\[C@H]1CCCO1)N(C)C ZINC000855008980 588820177 /nfs/dbraw/zinc/82/01/77/588820177.db2.gz FXPMDCBTOKBBPR-QIAMSNJGSA-N 0 3 226.320 0.788 20 0 BCADHN COC/C=C\C(=O)NC[C@H](C)N(C)C ZINC000855009752 588820298 /nfs/dbraw/zinc/82/02/98/588820298.db2.gz SXGIBNNQVROBSN-UDIARPCQSA-N 0 3 200.282 0.255 20 0 BCADHN CN(C)C1(C(=O)N(C)Cc2c[nH]cn2)CCC1 ZINC000855134744 588822763 /nfs/dbraw/zinc/82/27/63/588822763.db2.gz YTWNJEHJUCNXMS-UHFFFAOYSA-N 0 3 236.319 0.852 20 0 BCADHN CN(C)C1(C(=O)N(C)Cc2cnc[nH]2)CCC1 ZINC000855134744 588822764 /nfs/dbraw/zinc/82/27/64/588822764.db2.gz YTWNJEHJUCNXMS-UHFFFAOYSA-N 0 3 236.319 0.852 20 0 BCADHN C[C@@H](NCCCS(N)(=O)=O)c1ccns1 ZINC000860055198 582499623 /nfs/dbraw/zinc/49/96/23/582499623.db2.gz ZVURPDVAALULSW-SSDOTTSWSA-N 0 3 249.361 0.472 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC[C@H](O)[C@H](F)C1)N(C)C ZINC000890693339 582507303 /nfs/dbraw/zinc/50/73/03/582507303.db2.gz BPFIXBQWUWSEGC-VWYCJHECSA-N 0 3 246.326 0.504 20 0 BCADHN Cn1cc(C(=O)N2C[C@H]3CCN(C)C[C@H]3C2)cn1 ZINC000812332857 582510898 /nfs/dbraw/zinc/51/08/98/582510898.db2.gz LKEMNJTUBISVBD-PWSUYJOCSA-N 0 3 248.330 0.444 20 0 BCADHN C[C@H](CCNC(=O)[C@H]1CCC(=O)C1)N(C)C ZINC000855417252 588832222 /nfs/dbraw/zinc/83/22/22/588832222.db2.gz FGNLGJTUIWFVDS-ZJUUUORDSA-N 0 3 226.320 0.812 20 0 BCADHN CC(C)N(C)CC(=O)NCC[C@H](O)C1CC1 ZINC000890726632 582519276 /nfs/dbraw/zinc/51/92/76/582519276.db2.gz ADZGEFWMGZOBJG-NSHDSACASA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H](NC(=S)NCCN(C)C)C(F)(F)F ZINC000806606082 582547721 /nfs/dbraw/zinc/54/77/21/582547721.db2.gz JUMHLHWCTJKTDM-ZCFIWIBFSA-N 0 3 243.298 0.963 20 0 BCADHN CC(C(=O)N[C@@H]1CC=CC[C@H]1C)S(C)(=O)=O ZINC000890770315 582551196 /nfs/dbraw/zinc/55/11/96/582551196.db2.gz VVKHZXQUBSVQPJ-KXUCPTDWSA-N 0 3 245.344 0.890 20 0 BCADHN COCC[C@@H](N)C(=O)N[C@H](C)CSC ZINC000127583555 582551829 /nfs/dbraw/zinc/55/18/29/582551829.db2.gz YILBIHHBOJRNIR-HTQZYQBOSA-N 0 3 220.338 0.218 20 0 BCADHN CC[C@@H](CO)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000855491782 588838265 /nfs/dbraw/zinc/83/82/65/588838265.db2.gz UFOLPVHKJSYRMB-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN CN(C)C1(C(=O)N[C@H](CO)CCF)CCC1 ZINC000846566134 582661576 /nfs/dbraw/zinc/66/15/76/582661576.db2.gz ZQTYCCWYEVKZLM-VIFPVBQESA-N 0 3 232.299 0.307 20 0 BCADHN COCCNC(=O)N1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000891408118 582679821 /nfs/dbraw/zinc/67/98/21/582679821.db2.gz GBYAFCMUTUPPHE-CMPLNLGQSA-N 0 3 241.335 0.226 20 0 BCADHN CC[C@@H](C(=O)NCCOC(=O)N(C)C)N(C)C ZINC000855650809 588843524 /nfs/dbraw/zinc/84/35/24/588843524.db2.gz AVLWAQCQJRMYFE-VIFPVBQESA-N 0 3 245.323 0.141 20 0 BCADHN CCCN(C)CC(=O)NCCOC(=O)N(C)C ZINC000855649627 588843600 /nfs/dbraw/zinc/84/36/00/588843600.db2.gz RGAGCJQOMUOZOP-UHFFFAOYSA-N 0 3 245.323 0.143 20 0 BCADHN CCOc1ccc(CN2CC[C@H](C(N)=O)C2)o1 ZINC000891439548 582686024 /nfs/dbraw/zinc/68/60/24/582686024.db2.gz AZCYRUDZZGUYMO-VIFPVBQESA-N 0 3 238.287 0.986 20 0 BCADHN CCOc1ccc(CN2CC[C@@H](C(N)=O)C2)o1 ZINC000891439547 582686028 /nfs/dbraw/zinc/68/60/28/582686028.db2.gz AZCYRUDZZGUYMO-SECBINFHSA-N 0 3 238.287 0.986 20 0 BCADHN C/C=C\C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000855697801 588845445 /nfs/dbraw/zinc/84/54/45/588845445.db2.gz ZSJYVXOHFOWUGG-SREVYHEPSA-N 0 3 241.335 0.041 20 0 BCADHN CC[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC000855743781 588846530 /nfs/dbraw/zinc/84/65/30/588846530.db2.gz UMSRXMXGHFRHMQ-SECBINFHSA-N 0 3 214.309 0.358 20 0 BCADHN CN(CC(N)=O)c1cc(N)ncc1Cl ZINC000891829707 582727342 /nfs/dbraw/zinc/72/73/42/582727342.db2.gz POUROKAQWYKBCA-UHFFFAOYSA-N 0 3 214.656 0.239 20 0 BCADHN Cn1nc2c(c1CN1CC[C@@H](CO)C1)CCC2 ZINC000891867690 582732408 /nfs/dbraw/zinc/73/24/08/582732408.db2.gz HOEAQWVSKGAVGI-SNVBAGLBSA-N 0 3 235.331 0.723 20 0 BCADHN COC[C@H](C)CCOC(=O)C1CCN(C)C1=O ZINC000847877759 582745129 /nfs/dbraw/zinc/74/51/29/582745129.db2.gz WODOVEXHNPDTFA-NXEZZACHSA-N 0 3 243.303 0.681 20 0 BCADHN Cc1cc(N)nc(NC[C@H](C)N(C)C)n1 ZINC000892028091 582765275 /nfs/dbraw/zinc/76/52/75/582765275.db2.gz KQGLNKTVSNOKEL-QMMMGPOBSA-N 0 3 209.297 0.729 20 0 BCADHN Cc1ccc(CCN2C[C@@H](O)[C@@H](O)C2)cc1C ZINC000892064341 582781874 /nfs/dbraw/zinc/78/18/74/582781874.db2.gz CBSKLFMTUDPXSW-OKILXGFUSA-N 0 3 235.327 0.883 20 0 BCADHN CN(C)Cc1ccc(C(=O)N2CC[C@@H]2CO)cc1 ZINC000889136571 582837267 /nfs/dbraw/zinc/83/72/67/582837267.db2.gz KTDCANIRLNAJCV-CYBMUJFWSA-N 0 3 248.326 0.955 20 0 BCADHN C[NH+](C)[C@@H](CNc1cc(=O)[n-]cn1)C1CC1 ZINC000892345610 582863318 /nfs/dbraw/zinc/86/33/18/582863318.db2.gz QGXHVTIHHGHSNB-VIFPVBQESA-N 0 3 222.292 0.934 20 0 BCADHN Cn1ncc(CNCCCO)c1C1CC1 ZINC000892425967 582884318 /nfs/dbraw/zinc/88/43/18/582884318.db2.gz CQYLYOMMDLZPGN-UHFFFAOYSA-N 0 3 209.293 0.770 20 0 BCADHN CCn1cc(CNCCOCCO)c(C)n1 ZINC000892432328 582886445 /nfs/dbraw/zinc/88/64/45/582886445.db2.gz NSOQLWHWSAGMDJ-UHFFFAOYSA-N 0 3 227.308 0.310 20 0 BCADHN C[C@H](O)CNCc1cn(C)nc1C1CC1 ZINC000892441656 582887498 /nfs/dbraw/zinc/88/74/98/582887498.db2.gz QTYQKBZRCQTLEK-QMMMGPOBSA-N 0 3 209.293 0.768 20 0 BCADHN CC[C@H](C)[C@@H](O)CNc1ccncc1CO ZINC000892501461 582899030 /nfs/dbraw/zinc/89/90/30/582899030.db2.gz JAFZLTZSIJQBHG-CABZTGNLSA-N 0 3 224.304 0.815 20 0 BCADHN CC(=O)OC[C@@H](C)NCCC(=O)NC(C)C ZINC000892537971 582908202 /nfs/dbraw/zinc/90/82/02/582908202.db2.gz CLLDUBOYFCIEIJ-SECBINFHSA-N 0 3 230.308 0.442 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H](C)Cn1cccn1 ZINC000892553542 582911816 /nfs/dbraw/zinc/91/18/16/582911816.db2.gz OZOMYVHBDMXCBX-ZJUUUORDSA-N 0 3 225.292 0.813 20 0 BCADHN CCOc1nccnc1NC[C@@H](C)N(C)C ZINC000393774724 582923737 /nfs/dbraw/zinc/92/37/37/582923737.db2.gz JTLZEUILLAYJMY-SECBINFHSA-N 0 3 224.308 0.659 20 0 BCADHN Cc1cc(N)nc(N[C@@H]2CC(=O)N(C)C2)n1 ZINC000892624795 582932388 /nfs/dbraw/zinc/93/23/88/582932388.db2.gz VVCQJAXZXUBCGT-SSDOTTSWSA-N 0 3 221.264 0.010 20 0 BCADHN CS[C@H](CO)[C@H](C)Nc1nc(C)cc(N)n1 ZINC000892627765 582933963 /nfs/dbraw/zinc/93/39/63/582933963.db2.gz CRIWODVEEXWNHY-JGVFFNPUSA-N 0 3 242.348 0.892 20 0 BCADHN CSCCNC(=O)NCCN1CC[C@H](C)C1 ZINC000892655043 582940775 /nfs/dbraw/zinc/94/07/75/582940775.db2.gz OXUDPZVRJFHAOD-JTQLQIEISA-N 0 3 245.392 0.990 20 0 BCADHN C[C@H](CO)NCc1cn2ccnc2s1 ZINC000892669372 582946605 /nfs/dbraw/zinc/94/66/05/582946605.db2.gz RUKSXLIAHADQGZ-SSDOTTSWSA-N 0 3 211.290 0.866 20 0 BCADHN CNc1cc(N2CC[C@H](N3CC=CC3)C2)ncn1 ZINC000892679686 582951992 /nfs/dbraw/zinc/95/19/92/582951992.db2.gz QCLGEEHSBFYHDI-NSHDSACASA-N 0 3 245.330 0.969 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CCN3C(=O)OC[C@@H]3C2)C1 ZINC000851814338 582969119 /nfs/dbraw/zinc/96/91/19/582969119.db2.gz ZPCFRNWCCJSYPL-OUAUKWLOSA-N 0 3 240.303 0.690 20 0 BCADHN CN(CC[C@@H]1COC(C)(C)O1)[C@@H]1CCNC1=O ZINC000851870867 582974091 /nfs/dbraw/zinc/97/40/91/582974091.db2.gz KLXMQNSDROMHRB-NXEZZACHSA-N 0 3 242.319 0.348 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCC(=O)O2)[C@H](C)CN1C ZINC000851887425 582977264 /nfs/dbraw/zinc/97/72/64/582977264.db2.gz OTFGATADJNWADV-GMTAPVOTSA-N 0 3 226.320 0.716 20 0 BCADHN CNC(=O)[C@H](C)CN(C)c1ccncc1CO ZINC000892790566 582982698 /nfs/dbraw/zinc/98/26/98/582982698.db2.gz FRNJKOPVTMHHNF-SECBINFHSA-N 0 3 237.303 0.392 20 0 BCADHN OCc1cnccc1N[C@@H]1C=C[C@H](CO)C1 ZINC000892787097 582983118 /nfs/dbraw/zinc/98/31/18/582983118.db2.gz YNJDLFRLCZIVGN-GXSJLCMTSA-N 0 3 220.272 0.345 20 0 BCADHN CO[C@@H](C)C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892788246 582983576 /nfs/dbraw/zinc/98/35/76/582983576.db2.gz AYCCLNVPVRYBCF-CABZTGNLSA-N 0 3 226.320 0.622 20 0 BCADHN COCC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892789586 582984278 /nfs/dbraw/zinc/98/42/78/582984278.db2.gz QNEXKDSFGYBDLI-LLVKDONJSA-N 0 3 212.293 0.233 20 0 BCADHN COCCCN(CCO)C[C@@H]1COC(C)(C)O1 ZINC000851967920 582986397 /nfs/dbraw/zinc/98/63/97/582986397.db2.gz HOBOTUNUQNEGNN-LLVKDONJSA-N 0 3 247.335 0.469 20 0 BCADHN CC[C@@H]1CN(C(=O)CC2OCCO2)C[C@H](C)N1 ZINC000856408906 588871884 /nfs/dbraw/zinc/87/18/84/588871884.db2.gz XFPMBAORLFBZCT-VHSXEESVSA-N 0 3 242.319 0.348 20 0 BCADHN COc1ccc(CN[C@H]2CCN(C)C2)nc1 ZINC000892939556 583012780 /nfs/dbraw/zinc/01/27/80/583012780.db2.gz SCIQSAHFZHYLKI-NSHDSACASA-N 0 3 221.304 0.884 20 0 BCADHN CC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H](C)N1 ZINC000856408640 588872134 /nfs/dbraw/zinc/87/21/34/588872134.db2.gz QFSCJQLDQOBFCN-DTWKUNHWSA-N 0 3 237.307 0.028 20 0 BCADHN CCO[C@@H]1C[C@@H](NCC[S@](=O)CC)[C@H]1OC ZINC000892950856 583017511 /nfs/dbraw/zinc/01/75/11/583017511.db2.gz HWPUJHJDFQCMHC-LDMQVWGESA-N 0 3 249.376 0.537 20 0 BCADHN NC[C@H]1CC(C(=O)N2CCCC(F)(F)C2)=NO1 ZINC000852896314 583022596 /nfs/dbraw/zinc/02/25/96/583022596.db2.gz XXLSHIRTUYRMSX-SSDOTTSWSA-N 0 3 247.245 0.348 20 0 BCADHN NC(=O)[C@H]1CCC[C@H](NCc2cnccn2)C1 ZINC000856769808 588876830 /nfs/dbraw/zinc/87/68/30/588876830.db2.gz COGYFFJVXMJMCR-UWVGGRQHSA-N 0 3 234.303 0.610 20 0 BCADHN Cn1cc(CNCC[S@@](C)=O)c(C2CC2)n1 ZINC000893004478 583028459 /nfs/dbraw/zinc/02/84/59/583028459.db2.gz IUKMDYJFPIVWQV-MRXNPFEDSA-N 0 3 241.360 0.766 20 0 BCADHN CCn1cc(CNCC[S@](C)=O)c(C)n1 ZINC000893004346 583028672 /nfs/dbraw/zinc/02/86/72/583028672.db2.gz HSAKJLWMMXWIOU-HNNXBMFYSA-N 0 3 229.349 0.680 20 0 BCADHN CCN1CC[C@@H](NC[C@H](O)c2ccccn2)C1 ZINC000853109408 583028686 /nfs/dbraw/zinc/02/86/86/583028686.db2.gz ZXHFGZGIFWFMMF-YPMHNXCESA-N 0 3 235.331 0.799 20 0 BCADHN CNC(=O)[C@H]1CCC[C@H]1Nc1ccncc1CO ZINC000893052454 583038575 /nfs/dbraw/zinc/03/85/75/583038575.db2.gz FCSYGXFPXZUQIN-CMPLNLGQSA-N 0 3 249.314 0.322 20 0 BCADHN CC(C)[C@H]1CN(C(=O)C2=COCC2)CCN1 ZINC000856484268 588873692 /nfs/dbraw/zinc/87/36/92/588873692.db2.gz BBRVWLSIERBHBT-LLVKDONJSA-N 0 3 224.304 0.747 20 0 BCADHN C[C@H]1C[C@H](Nc2ccncc2CO)CCO1 ZINC000893087223 583046603 /nfs/dbraw/zinc/04/66/03/583046603.db2.gz AHIFJECFDUWKQQ-GXSJLCMTSA-N 0 3 222.288 0.975 20 0 BCADHN C[C@@H](CO)NCc1cnn(C)c1C1CC1 ZINC000893095369 583048804 /nfs/dbraw/zinc/04/88/04/583048804.db2.gz JVHFUDBMMXEJRV-QMMMGPOBSA-N 0 3 209.293 0.768 20 0 BCADHN C[C@H](CC(N)=O)NCc1cn2ccnc2s1 ZINC000893134482 583055141 /nfs/dbraw/zinc/05/51/41/583055141.db2.gz HQAAIXLDIFAPJK-SSDOTTSWSA-N 0 3 238.316 0.749 20 0 BCADHN CC1(C)OCC(Nc2ccncc2CO)CO1 ZINC000893162020 583060085 /nfs/dbraw/zinc/06/00/85/583060085.db2.gz HDXUUZAZDZOJET-UHFFFAOYSA-N 0 3 238.287 0.559 20 0 BCADHN Cc1cc(N)nc(NCCc2ccnn2C)n1 ZINC000893187437 583067606 /nfs/dbraw/zinc/06/76/06/583067606.db2.gz QAUFICYVSVSCKH-UHFFFAOYSA-N 0 3 232.291 0.755 20 0 BCADHN CCc1onc(C)c1CNC[C@]1(O)CCOC1 ZINC000893216361 583073045 /nfs/dbraw/zinc/07/30/45/583073045.db2.gz RUECGNXMSICXMO-GFCCVEGCSA-N 0 3 240.303 0.786 20 0 BCADHN CO[C@@H]1CN(C)[C@](C)(COC(=O)CCF)C1 ZINC000893263203 583080284 /nfs/dbraw/zinc/08/02/84/583080284.db2.gz PWVAEKBZUULXFU-ONGXEEELSA-N 0 3 233.283 0.998 20 0 BCADHN CCc1nocc1C(=O)NOCCN(C)C ZINC000854691006 583089906 /nfs/dbraw/zinc/08/99/06/583089906.db2.gz STIMBQYIXIXXSH-UHFFFAOYSA-N 0 3 227.264 0.460 20 0 BCADHN CC1(C)CCCN1CCNC(=O)[C@@H](O)C1CC1 ZINC000854893343 583095287 /nfs/dbraw/zinc/09/52/87/583095287.db2.gz JKXMZPQKWGBPAO-NSHDSACASA-N 0 3 240.347 0.748 20 0 BCADHN C[N@@H+]1CC[C@H](C(=O)[N-]OCC2CCC2)C1 ZINC000856348734 588869297 /nfs/dbraw/zinc/86/92/97/588869297.db2.gz CNCZZMISYKEFNY-JTQLQIEISA-N 0 3 212.293 0.786 20 0 BCADHN C[N@H+]1CC[C@H](C(=O)[N-]OCC2CCC2)C1 ZINC000856348734 588869298 /nfs/dbraw/zinc/86/92/98/588869298.db2.gz CNCZZMISYKEFNY-JTQLQIEISA-N 0 3 212.293 0.786 20 0 BCADHN CO[C@H]1COCC[C@@H]1CNCc1cnccn1 ZINC000856789837 588877949 /nfs/dbraw/zinc/87/79/49/588877949.db2.gz LCRFKJHFWDHDOC-PWSUYJOCSA-N 0 3 237.303 0.618 20 0 BCADHN C[C@@H](Nc1ccncc1CO)c1ncn(C)n1 ZINC000893368647 583127799 /nfs/dbraw/zinc/12/77/99/583127799.db2.gz YGVLFXRAPHLVLS-MRVPVSSYSA-N 0 3 233.275 0.297 20 0 BCADHN CCO[C@@H]1C[C@H](NC2(CO)CC2)[C@H]1OC ZINC000893389189 583134281 /nfs/dbraw/zinc/13/42/81/583134281.db2.gz WRVJDEPCXGFHFL-IVZWLZJFSA-N 0 3 215.293 0.293 20 0 BCADHN CC1(C)CC[C@@H](CO)N(CC2OCCO2)C1 ZINC000856803169 588878654 /nfs/dbraw/zinc/87/86/54/588878654.db2.gz APEMIQGRCPTEBQ-JTQLQIEISA-N 0 3 229.320 0.842 20 0 BCADHN COc1cncc(CN[C@@H]2CCN(C(C)=O)C2)c1 ZINC000856812529 588878982 /nfs/dbraw/zinc/87/89/82/588878982.db2.gz ZITBPIWQNUTFMX-GFCCVEGCSA-N 0 3 249.314 0.801 20 0 BCADHN CC[C@H](N)c1cn(C2(C(=O)OC)CC2)nn1 ZINC000594650581 583147179 /nfs/dbraw/zinc/14/71/79/583147179.db2.gz YHEKOESVNLVPST-ZETCQYMHSA-N 0 3 224.264 0.350 20 0 BCADHN OCc1cnccc1NCCC1CC(O)C1 ZINC000893498803 583154091 /nfs/dbraw/zinc/15/40/91/583154091.db2.gz OMFJHPHAFMLSFH-UHFFFAOYSA-N 0 3 222.288 0.569 20 0 BCADHN NC(=O)C1(N[C@@H]2COC3(CCC3)C2)CC1 ZINC000893553395 583163415 /nfs/dbraw/zinc/16/34/15/583163415.db2.gz NNXDUVPUTOJAJR-QMMMGPOBSA-N 0 3 210.277 0.306 20 0 BCADHN Cc1cc(N)nc(NCCCCCO)n1 ZINC000893570139 583165429 /nfs/dbraw/zinc/16/54/29/583165429.db2.gz CXXDSOTWHZDQRO-UHFFFAOYSA-N 0 3 210.281 0.942 20 0 BCADHN CCn1ncc(CN2CCNC[C@@H]2C(F)F)n1 ZINC000857085459 588886566 /nfs/dbraw/zinc/88/65/66/588886566.db2.gz CZVBZECXKBBGKN-SECBINFHSA-N 0 3 245.277 0.337 20 0 BCADHN CCS(=O)(=O)CCNCC[C@@H]1CCCCO1 ZINC000224011493 583182696 /nfs/dbraw/zinc/18/26/96/583182696.db2.gz PMGMISTYKOKPIV-NSHDSACASA-N 0 3 249.376 0.970 20 0 BCADHN O=Cc1cnc(N2CC[C@@H](N3CCCC3)C2)nc1 ZINC000126323105 583206647 /nfs/dbraw/zinc/20/66/47/583206647.db2.gz GSLGUJDAOCLZBI-GFCCVEGCSA-N 0 3 246.314 0.964 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H]1C[C@H](O)C1(C)C ZINC000893708416 583208384 /nfs/dbraw/zinc/20/83/84/583208384.db2.gz ZNLAXFBQFRKQCJ-SFGNSQDASA-N 0 3 215.293 0.687 20 0 BCADHN OCc1cnccc1N1C[C@@H]2COC[C@H](C1)O2 ZINC000893716983 583212562 /nfs/dbraw/zinc/21/25/62/583212562.db2.gz QWDWJXOVVNOERO-PHIMTYICSA-N 0 3 236.271 0.178 20 0 BCADHN CCN1CCN(c2nc(C)cc(N)n2)[C@H](C)C1 ZINC000893829625 583227043 /nfs/dbraw/zinc/22/70/43/583227043.db2.gz PLIBTYLNOPJBBP-SNVBAGLBSA-N 0 3 235.335 0.898 20 0 BCADHN CC(=O)N1CC[C@@H](N[C@@H]2CCCc3n[nH]cc32)C1 ZINC000857084336 588886284 /nfs/dbraw/zinc/88/62/84/588886284.db2.gz MYPXMANKOJTVEE-ZYHUDNBSSA-N 0 3 248.330 0.998 20 0 BCADHN C[C@@H](CN(C)C)Nc1cnc(CO)cn1 ZINC000893856421 583233246 /nfs/dbraw/zinc/23/32/46/583233246.db2.gz JJGTUHGYVJHVAN-QMMMGPOBSA-N 0 3 210.281 0.331 20 0 BCADHN CC(C)[C@H](CO)CNc1ccncc1CO ZINC000893854031 583236037 /nfs/dbraw/zinc/23/60/37/583236037.db2.gz AUVNPKWFIPTSPI-JTQLQIEISA-N 0 3 224.304 0.672 20 0 BCADHN Cc1coc(CN2CC[C@H](C(N)=O)C2)c1 ZINC000893870663 583236267 /nfs/dbraw/zinc/23/62/67/583236267.db2.gz FBGUUICSMPUHNF-VIFPVBQESA-N 0 3 208.261 0.895 20 0 BCADHN COCC[C@H](COC)Nc1nc(C)cc(N)n1 ZINC000893917887 583246775 /nfs/dbraw/zinc/24/67/75/583246775.db2.gz ZGQUDNUYPYUTNE-SECBINFHSA-N 0 3 240.307 0.831 20 0 BCADHN Cc1nsc(N2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000893933883 583251822 /nfs/dbraw/zinc/25/18/22/583251822.db2.gz DPHFZJMZWHYOKJ-RKDXNWHRSA-N 0 3 224.333 0.987 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2c2cc(F)ncn2)C1 ZINC000893935322 583252356 /nfs/dbraw/zinc/25/23/56/583252356.db2.gz QAFYTUBKNWGWNW-IUCAKERBSA-N 0 3 222.267 0.756 20 0 BCADHN COCc1cc(N2CC[C@@H]3CN(C)C[C@@H]32)ncn1 ZINC000893938207 583253674 /nfs/dbraw/zinc/25/36/74/583253674.db2.gz CGKDDRRGBLIOQM-PWSUYJOCSA-N 0 3 248.330 0.763 20 0 BCADHN CC1(C)OC[C@H](CN[C@@]2(CCO)CCOC2)O1 ZINC000894072509 583296754 /nfs/dbraw/zinc/29/67/54/583296754.db2.gz XUHVDGRTJRJWRA-JQWIXIFHSA-N 0 3 245.319 0.269 20 0 BCADHN Cc1cc(N2CC(C)(CO)C2)nc(N)n1 ZINC000894076602 583297346 /nfs/dbraw/zinc/29/73/46/583297346.db2.gz BHBYJKUMTCMMOP-UHFFFAOYSA-N 0 3 208.265 0.186 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1ncc[nH]1 ZINC000857181095 588891809 /nfs/dbraw/zinc/89/18/09/588891809.db2.gz HWEODIMVRPIBDJ-SECBINFHSA-N 0 3 222.292 0.624 20 0 BCADHN NC(=O)[C@@H]1CC[C@H](Nc2ccncc2CO)C1 ZINC000894118268 583310004 /nfs/dbraw/zinc/31/00/04/583310004.db2.gz BPRCHJXQAIVZJT-SCZZXKLOSA-N 0 3 235.287 0.062 20 0 BCADHN Cc1cc(N)nc(NC[C@]2(C)CCC(=O)N2)n1 ZINC000894141695 583316972 /nfs/dbraw/zinc/31/69/72/583316972.db2.gz YXTJCRGWIUMSDM-NSHDSACASA-N 0 3 235.291 0.448 20 0 BCADHN COCCNC[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894146509 583318250 /nfs/dbraw/zinc/31/82/50/583318250.db2.gz SPOMGXKSQMABFI-RQJHMYQMSA-N 0 3 223.219 0.277 20 0 BCADHN C[C@H]1CC[C@H](CNc2ccncc2CO)O1 ZINC000894152524 583318868 /nfs/dbraw/zinc/31/88/68/583318868.db2.gz MHKCKLAJLNMBSF-GXSJLCMTSA-N 0 3 222.288 0.975 20 0 BCADHN Cc1ccnc(N)c1CNC[C@H]1COCCO1 ZINC000894196938 583335527 /nfs/dbraw/zinc/33/55/27/583335527.db2.gz JDTPJQLPXOFZKE-JTQLQIEISA-N 0 3 237.303 0.477 20 0 BCADHN Cn1cc(CN2CC[C@@H]3CSC[C@H]3C2)nn1 ZINC000877737936 583344558 /nfs/dbraw/zinc/34/45/58/583344558.db2.gz JADYKPAOLJRWKP-NXEZZACHSA-N 0 3 238.360 1.000 20 0 BCADHN Nc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)c([O-])c1 ZINC000841845987 583356429 /nfs/dbraw/zinc/35/64/29/583356429.db2.gz DERKDGHZPSVWIB-VIFPVBQESA-N 0 3 235.287 0.456 20 0 BCADHN 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/nfs/dbraw/zinc/75/82/85/583758285.db2.gz XFTGZDJKKHKPHT-UWVGGRQHSA-N 0 3 247.360 0.721 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H](CO)C[C@H]1CCCO1 ZINC000896042814 583766972 /nfs/dbraw/zinc/76/69/72/583766972.db2.gz HRDPUGCLWYNABT-ZMLRMANQSA-N 0 3 245.319 0.458 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H]1C[C@H](C)CO1 ZINC000896096995 583770359 /nfs/dbraw/zinc/77/03/59/583770359.db2.gz NOSPVJQQSPGDMJ-QWRGUYRKSA-N 0 3 244.335 0.106 20 0 BCADHN CCO[C@@H](CNc1ncc(F)cn1)CN(C)C ZINC000896112623 583771792 /nfs/dbraw/zinc/77/17/92/583771792.db2.gz MOLWAHWPABYKSH-JTQLQIEISA-N 0 3 242.298 0.994 20 0 BCADHN CCO[C@@H](CNc1cccnn1)CN(C)C ZINC000896115267 583772232 /nfs/dbraw/zinc/77/22/32/583772232.db2.gz JOKNOUWQJWPRFD-JTQLQIEISA-N 0 3 224.308 0.855 20 0 BCADHN Cc1cc(N)nc(NCC[C@H]2CNC(=O)C2)n1 ZINC000896134592 583775078 /nfs/dbraw/zinc/77/50/78/583775078.db2.gz LOKOFZNAEZUMCQ-MRVPVSSYSA-N 0 3 235.291 0.305 20 0 BCADHN C/C=C\C(=O)NC[C@H]1CCCN1CCOC ZINC000727865175 583788031 /nfs/dbraw/zinc/78/80/31/583788031.db2.gz 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ZINC000728550497 583898072 /nfs/dbraw/zinc/89/80/72/583898072.db2.gz JJSYSJUSPHJOGP-UHFFFAOYSA-N 0 3 240.303 0.429 20 0 BCADHN CN(C)CCCS(=O)(=O)NCc1ccon1 ZINC000866910618 583899665 /nfs/dbraw/zinc/89/96/65/583899665.db2.gz OECKRTDYYIPHTA-UHFFFAOYSA-N 0 3 247.320 0.046 20 0 BCADHN OCCC1CC(Nc2ccncc2CO)C1 ZINC000897236941 583900197 /nfs/dbraw/zinc/90/01/97/583900197.db2.gz ZKDBJPIREGFSDV-UHFFFAOYSA-N 0 3 222.288 0.569 20 0 BCADHN CC/C=C(/F)C(=O)NC[C@](C)(O)CN(C)C ZINC000866921071 583911015 /nfs/dbraw/zinc/91/10/15/583911015.db2.gz KCUJKCVTNNHTRO-LAHYYIKRSA-N 0 3 232.299 0.679 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1C(=O)[C@H]1CCCN1C ZINC000897297549 583911295 /nfs/dbraw/zinc/91/12/95/583911295.db2.gz JAQPXBKHQBURAP-QJPTWQEYSA-N 0 3 239.363 0.632 20 0 BCADHN Cn1nccc1[C@@H](O)CNC[C@H]1CCC=CO1 ZINC000897302535 583912056 /nfs/dbraw/zinc/91/20/56/583912056.db2.gz PPCWZKUSLVZFRY-PWSUYJOCSA-N 0 3 237.303 0.736 20 0 BCADHN CCC[C@H](CNC[C@@H](O)c1ccnn1C)OC ZINC000897302494 583912414 /nfs/dbraw/zinc/91/24/14/583912414.db2.gz OVMKELVUVNWDSF-ZYHUDNBSSA-N 0 3 241.335 0.858 20 0 BCADHN Cc1ccc(CNC[C@H]2COCCN2C)nn1 ZINC000858278358 588941948 /nfs/dbraw/zinc/94/19/48/588941948.db2.gz WUUVQKVCDRMLOH-LBPRGKRZSA-N 0 3 236.319 0.205 20 0 BCADHN OC[C@H]1C[C@H](NCc2cn3cccnc3n2)C1 ZINC000897357601 583936947 /nfs/dbraw/zinc/93/69/47/583936947.db2.gz LLCMGUAFNSPZJT-MGCOHNPYSA-N 0 3 232.287 0.590 20 0 BCADHN Cc1cc(N2CC[C@H](O)[C@@H](F)C2)nc(N)n1 ZINC000897375402 583945186 /nfs/dbraw/zinc/94/51/86/583945186.db2.gz SEXBZTOGCMGCII-YUMQZZPRSA-N 0 3 226.255 0.276 20 0 BCADHN OCc1cnccc1N1CC[C@H](O)[C@H](F)C1 ZINC000897378536 583946478 /nfs/dbraw/zinc/94/64/78/583946478.db2.gz CRWUOBWZZSEMFN-KOLCDFICSA-N 0 3 226.251 0.483 20 0 BCADHN CN(C(=O)[C@H]1CCCN1C)C1CC(O)C1 ZINC000897390744 583947793 /nfs/dbraw/zinc/94/77/93/583947793.db2.gz SXFWHYMBMBDPQB-UDNWOFFPSA-N 0 3 212.293 0.062 20 0 BCADHN CC(=O)NCCNc1ccnc(CO)c1 ZINC000858315215 588944557 /nfs/dbraw/zinc/94/45/57/588944557.db2.gz JFWMAZMMYCJSDD-UHFFFAOYSA-N 0 3 209.249 0.122 20 0 BCADHN CC[C@H]1C[C@@H](N[C@@H](C)C(=O)N(C)OC)CO1 ZINC000858319606 588944854 /nfs/dbraw/zinc/94/48/54/588944854.db2.gz NXLSSSKGAOVEIH-AEJSXWLSSA-N 0 3 230.308 0.552 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1CO[C@H](C)C1 ZINC000858319198 588944952 /nfs/dbraw/zinc/94/49/52/588944952.db2.gz DPRZCXOCGUHHFA-HRDYMLBCSA-N 0 3 216.281 0.162 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1CCO[C@H]1C ZINC000858319986 588945001 /nfs/dbraw/zinc/94/50/01/588945001.db2.gz VHGXIUYJUDTDEK-CIUDSAMLSA-N 0 3 216.281 0.162 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000858322809 588945328 /nfs/dbraw/zinc/94/53/28/588945328.db2.gz KBVVIZPRDNYUPY-QCLAVDOMSA-N 0 3 230.308 0.550 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1CCO[C@@H]1C ZINC000858323368 588945348 /nfs/dbraw/zinc/94/53/48/588945348.db2.gz VHGXIUYJUDTDEK-IWSPIJDZSA-N 0 3 216.281 0.162 20 0 BCADHN CC(=O)N1CCC(Nc2ccnc(CO)c2)CC1 ZINC000858325798 588945384 /nfs/dbraw/zinc/94/53/84/588945384.db2.gz MHIGFVQTKRCQJN-UHFFFAOYSA-N 0 3 249.314 0.997 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000858322808 588945551 /nfs/dbraw/zinc/94/55/51/588945551.db2.gz KBVVIZPRDNYUPY-DOLQZWNJSA-N 0 3 230.308 0.550 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1CCO[C@H](C)C1 ZINC000858322617 588945616 /nfs/dbraw/zinc/94/56/16/588945616.db2.gz CQCYDIHOWQPQFZ-OPRDCNLKSA-N 0 3 230.308 0.552 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CCO[C@@H]1C ZINC000858323366 588945760 /nfs/dbraw/zinc/94/57/60/588945760.db2.gz VHGXIUYJUDTDEK-HLTSFMKQSA-N 0 3 216.281 0.162 20 0 BCADHN Cc1nc[nH]c1C(=O)N(CCN(C)C)C1CC1 ZINC000897424172 583965124 /nfs/dbraw/zinc/96/51/24/583965124.db2.gz YVWMSYKEOMKQCU-UHFFFAOYSA-N 0 3 236.319 0.884 20 0 BCADHN CCON(CC)C(=O)CN[C@H]1CO[C@@H](C)C1 ZINC000858222977 588939585 /nfs/dbraw/zinc/93/95/85/588939585.db2.gz MDQUSWCWBLJEAQ-VHSXEESVSA-N 0 3 230.308 0.553 20 0 BCADHN CCON(CC)C(=O)CN[C@H](C)COC ZINC000858220147 588939640 /nfs/dbraw/zinc/93/96/40/588939640.db2.gz MRZQHMQZOCWAMN-SECBINFHSA-N 0 3 218.297 0.411 20 0 BCADHN C[C@H](O)CCNC(=O)NCCN1CC[C@@H](C)C1 ZINC000897435972 583976205 /nfs/dbraw/zinc/97/62/05/583976205.db2.gz SQGJBGVLEHBPFW-MNOVXSKESA-N 0 3 243.351 0.398 20 0 BCADHN CC[C@H](NC1CSC1)C(=O)N1CCOCC1 ZINC000393781645 583984411 /nfs/dbraw/zinc/98/44/11/583984411.db2.gz SKFNIOWBEMSSSA-JTQLQIEISA-N 0 3 244.360 0.329 20 0 BCADHN CC[C@@H](O)CNC(=O)NCCN1CC[C@@H](C)C1 ZINC000897465830 583988714 /nfs/dbraw/zinc/98/87/14/583988714.db2.gz IWWQQUIXCFXBGA-GHMZBOCLSA-N 0 3 243.351 0.398 20 0 BCADHN C[C@H]1CCN(CCNC(=O)N[C@H]2C[C@H](O)C2)C1 ZINC000897466668 583988815 /nfs/dbraw/zinc/98/88/15/583988815.db2.gz ZCMBHTJYYHKYBY-DCAQKATOSA-N 0 3 241.335 0.151 20 0 BCADHN O[C@H]1CCN(CCNCc2ccnc(F)c2)C1 ZINC000858340324 588947221 /nfs/dbraw/zinc/94/72/21/588947221.db2.gz CRZAPFMJGVUIQX-NSHDSACASA-N 0 3 239.294 0.377 20 0 BCADHN CC(=O)NCCCNc1ccnc(CO)c1 ZINC000858340745 588947263 /nfs/dbraw/zinc/94/72/63/588947263.db2.gz MURYFUSJELAPIR-UHFFFAOYSA-N 0 3 223.276 0.512 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)NC1(C)COC1 ZINC000897519401 584000234 /nfs/dbraw/zinc/00/02/34/584000234.db2.gz SCBILHFZALGXHG-JTQLQIEISA-N 0 3 241.335 0.559 20 0 BCADHN OCc1cc(NC[C@H]2COCCO2)ccn1 ZINC000858358541 588948123 /nfs/dbraw/zinc/94/81/23/588948123.db2.gz QBWCWLBVGIWBLP-NSHDSACASA-N 0 3 224.260 0.401 20 0 BCADHN C[C@H]1CC[C@@H](C(N)=O)CN1c1ccnc(CO)c1 ZINC000858354194 588948228 /nfs/dbraw/zinc/94/82/28/588948228.db2.gz OIWAYOIZODKIKS-VHSXEESVSA-N 0 3 249.314 0.664 20 0 BCADHN OCc1cc(NCCn2cccn2)ccn1 ZINC000858359730 588948427 /nfs/dbraw/zinc/94/84/27/588948427.db2.gz JELCOVMKTQAFNC-UHFFFAOYSA-N 0 3 218.260 0.883 20 0 BCADHN OCc1cc(NC[C@@H]2COCCO2)ccn1 ZINC000858358538 588948506 /nfs/dbraw/zinc/94/85/06/588948506.db2.gz QBWCWLBVGIWBLP-LLVKDONJSA-N 0 3 224.260 0.401 20 0 BCADHN CCN(CC)C(=O)CNc1ccnc(CO)c1 ZINC000858364517 588948900 /nfs/dbraw/zinc/94/89/00/588948900.db2.gz GCUJVFLCKIXRMX-UHFFFAOYSA-N 0 3 237.303 0.854 20 0 BCADHN COCCOCCNc1ccnc(CO)c1 ZINC000858363942 588948975 /nfs/dbraw/zinc/94/89/75/588948975.db2.gz PSXGZSPIDIXQQQ-UHFFFAOYSA-N 0 3 226.276 0.649 20 0 BCADHN C[C@@H](Cn1cncn1)Nc1ccnc(CO)c1 ZINC000858373622 588949779 /nfs/dbraw/zinc/94/97/79/588949779.db2.gz LINBSEITQWAFBC-VIFPVBQESA-N 0 3 233.275 0.666 20 0 BCADHN CC(C)N1C[C@H](Nc2ccnc(CO)c2)CC1=O ZINC000858385044 588950024 /nfs/dbraw/zinc/95/00/24/588950024.db2.gz ZECMSGQBVYMMKX-LLVKDONJSA-N 0 3 249.314 0.995 20 0 BCADHN CN(C)C(=O)CCN(C)[C@@H]1CCCCNC1=O ZINC000729850724 584026536 /nfs/dbraw/zinc/02/65/36/584026536.db2.gz QQISXAIGVGHYSD-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cc2ccccc2[nH]1 ZINC000865739745 584027936 /nfs/dbraw/zinc/02/79/36/584027936.db2.gz UKJVPQCIVBGKKQ-ZANVPECISA-N 0 3 234.299 0.999 20 0 BCADHN C[C@H]1CN(CCn2cccn2)CCN1C ZINC000729927924 584029846 /nfs/dbraw/zinc/02/98/46/584029846.db2.gz OCESWZRZAQWNNF-NSHDSACASA-N 0 3 208.309 0.519 20 0 BCADHN OCc1cc(NCCn2cncn2)ccn1 ZINC000858391505 588951179 /nfs/dbraw/zinc/95/11/79/588951179.db2.gz JSSOYZLDGWKUDU-UHFFFAOYSA-N 0 3 219.248 0.278 20 0 BCADHN C[C@H]1CN(Cc2cnc3c(cnn3C)c2)C[C@@H]1O ZINC000897678574 584035845 /nfs/dbraw/zinc/03/58/45/584035845.db2.gz CFXQGODOZYTELG-CABZTGNLSA-N 0 3 246.314 0.781 20 0 BCADHN CC[S@](=O)CCNc1ccnc(CO)c1 ZINC000858405755 588951286 /nfs/dbraw/zinc/95/12/86/588951286.db2.gz QCTBXRJAAQBUGD-HNNXBMFYSA-N 0 3 228.317 0.754 20 0 BCADHN Cc1ccnc(N)c1CN1C[C@H](C)[C@H](O)C1 ZINC000897680837 584038310 /nfs/dbraw/zinc/03/83/10/584038310.db2.gz WVWAKOUMYUQMRQ-GXSJLCMTSA-N 0 3 221.304 0.785 20 0 BCADHN CN(CCC(N)=O)C(=O)[C@H]1CCN1C(C)(C)C ZINC000897748551 584043559 /nfs/dbraw/zinc/04/35/59/584043559.db2.gz WMYRDZCEAIEAOB-SECBINFHSA-N 0 3 241.335 0.193 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cncc2[nH]cnc21 ZINC000897760001 584044546 /nfs/dbraw/zinc/04/45/46/584044546.db2.gz FHDCMUZDUMTVPD-QMMMGPOBSA-N 0 3 247.302 0.638 20 0 BCADHN CC[C@](C)(CN[C@@]1(C)CCNC1=O)OC ZINC000897869155 584055263 /nfs/dbraw/zinc/05/52/63/584055263.db2.gz PDMPYCVFIQOSRJ-MNOVXSKESA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@@](C)(CN[C@@]1(C)CCNC1=O)OC ZINC000897869156 584055570 /nfs/dbraw/zinc/05/55/70/584055570.db2.gz PDMPYCVFIQOSRJ-QWRGUYRKSA-N 0 3 214.309 0.670 20 0 BCADHN C[C@]1(NCc2cc[nH]c(=O)c2)CCNC1=O ZINC000897870184 584056286 /nfs/dbraw/zinc/05/62/86/584056286.db2.gz YSXXORSRZOPCHX-NSHDSACASA-N 0 3 221.260 0.155 20 0 BCADHN CN1CCN(C)CCN(Cc2cocn2)CC1 ZINC000897859020 584059206 /nfs/dbraw/zinc/05/92/06/584059206.db2.gz RIOXAJFBXRCRKQ-UHFFFAOYSA-N 0 3 238.335 0.354 20 0 BCADHN OCc1cc(NC[C@@]2(O)CCSC2)ccn1 ZINC000858433569 588954195 /nfs/dbraw/zinc/95/41/95/588954195.db2.gz CJJQHVMRCIAFET-NSHDSACASA-N 0 3 240.328 0.854 20 0 BCADHN Cn1nnnc1CCCNCC1(F)CC1 ZINC000898039301 584080025 /nfs/dbraw/zinc/08/00/25/584080025.db2.gz YCLDSBSDYUBPAK-UHFFFAOYSA-N 0 3 213.260 0.234 20 0 BCADHN CN1CCC[C@@H](Nc2ccnc(CO)c2)C1=O ZINC000858434471 588954298 /nfs/dbraw/zinc/95/42/98/588954298.db2.gz HJUMRLORVIVSKR-LLVKDONJSA-N 0 3 235.287 0.607 20 0 BCADHN CN(C)CCN(C(=O)CC1(C)COC1)C1CC1 ZINC000898017546 584075413 /nfs/dbraw/zinc/07/54/13/584075413.db2.gz PCHYLDJGNQLFIV-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN COCC[C@@H](C)NCc1cn(C)nc1OC ZINC000898025249 584075996 /nfs/dbraw/zinc/07/59/96/584075996.db2.gz CRAQFUDDXKOWGI-SECBINFHSA-N 0 3 227.308 0.943 20 0 BCADHN Cn1ncc(CNCCN2CCC(C)(C)C2)n1 ZINC000898034466 584078238 /nfs/dbraw/zinc/07/82/38/584078238.db2.gz PYAWNGJRJFUYNL-UHFFFAOYSA-N 0 3 237.351 0.637 20 0 BCADHN Cn1nnnc1CCCNCc1ccco1 ZINC000898042419 584080430 /nfs/dbraw/zinc/08/04/30/584080430.db2.gz QBIMDGOCQSOURG-UHFFFAOYSA-N 0 3 221.264 0.526 20 0 BCADHN Cn1nncc1CNC[C@]12C[C@H]1COC21CCC1 ZINC000898065052 584081765 /nfs/dbraw/zinc/08/17/65/584081765.db2.gz BZSZEWNUVYFULU-CMPLNLGQSA-N 0 3 248.330 0.864 20 0 BCADHN CCC[C@@]1(CO)CCN([C@H](CC)C(N)=O)C1 ZINC000344167767 584082092 /nfs/dbraw/zinc/08/20/92/584082092.db2.gz NWPGXWGEZHXVIL-ZYHUDNBSSA-N 0 3 228.336 0.735 20 0 BCADHN CC(C)[NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898158308 584087651 /nfs/dbraw/zinc/08/76/51/584087651.db2.gz UASJGPGJBINTDC-SECBINFHSA-N 0 3 222.292 0.759 20 0 BCADHN CCC(=O)N1CC[C@H](Nc2ccnc(CO)c2)C1 ZINC000858446898 588955931 /nfs/dbraw/zinc/95/59/31/588955931.db2.gz KWKWPVGTKXJWMK-NSHDSACASA-N 0 3 249.314 0.997 20 0 BCADHN O=S1(=O)CCC[C@H](NCC[C@H](O)C2CC2)C1 ZINC000898203559 584090497 /nfs/dbraw/zinc/09/04/97/584090497.db2.gz XEFHBOKDQZJMQR-QWRGUYRKSA-N 0 3 247.360 0.314 20 0 BCADHN CCn1nnc(C)c1CNCC[C@@H](O)C1CC1 ZINC000898197917 584097661 /nfs/dbraw/zinc/09/76/61/584097661.db2.gz KUSSQSFLDOUTHK-GFCCVEGCSA-N 0 3 238.335 0.857 20 0 BCADHN COC(=O)[C@@H](C)CN(C)c1ccnc(CO)c1 ZINC000858451734 588956472 /nfs/dbraw/zinc/95/64/72/588956472.db2.gz ZSOUUOLKSFSFRT-VIFPVBQESA-N 0 3 238.287 0.819 20 0 BCADHN Cc1ncc(CNCC[C@@H](O)C2CC2)n1C ZINC000898199332 584099006 /nfs/dbraw/zinc/09/90/06/584099006.db2.gz LZZVBTIJSUAVNQ-GFCCVEGCSA-N 0 3 223.320 0.979 20 0 BCADHN Cn1ccc(CNc2ccnc(CO)c2)n1 ZINC000858461248 588956844 /nfs/dbraw/zinc/95/68/44/588956844.db2.gz KTYBSNSMLBVSPQ-UHFFFAOYSA-N 0 3 218.260 0.920 20 0 BCADHN CNC(=O)[C@H]1CCC[C@H]1Nc1ccnc(CO)c1 ZINC000858462034 588956971 /nfs/dbraw/zinc/95/69/71/588956971.db2.gz RJYCJLZELNTGAD-NWDGAFQWSA-N 0 3 249.314 0.901 20 0 BCADHN O=c1ccn(CCCNCc2ccoc2)c(=O)[nH]1 ZINC000898331581 584111418 /nfs/dbraw/zinc/11/14/18/584111418.db2.gz ADKGWPROAVICLS-UHFFFAOYSA-N 0 3 249.270 0.722 20 0 BCADHN c1n[nH]cc1CN[C@H]1COC[C@@H]1C1CC1 ZINC000898377267 584113671 /nfs/dbraw/zinc/11/36/71/584113671.db2.gz SXPXMFFWSXJMFP-MNOVXSKESA-N 0 3 207.277 0.924 20 0 BCADHN C[C@H](CNc1ccnc(CO)c1)c1nncn1C ZINC000858506267 588961568 /nfs/dbraw/zinc/96/15/68/588961568.db2.gz FCCSAHBUVGUMLO-SECBINFHSA-N 0 3 247.302 0.918 20 0 BCADHN C[C@@H](CN1CCN(C)CC1)NCc1cn[nH]c1 ZINC000730109726 584123421 /nfs/dbraw/zinc/12/34/21/584123421.db2.gz VWFQEGYOHXGVFE-NSHDSACASA-N 0 3 237.351 0.135 20 0 BCADHN CC(C)COC[C@H](O)CN1CCN(C)[C@@H](C)C1 ZINC000730080778 584123490 /nfs/dbraw/zinc/12/34/90/584123490.db2.gz JUBJGICTCSNIOX-QWHCGFSZSA-N 0 3 244.379 0.656 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252883342 584124400 /nfs/dbraw/zinc/12/44/00/584124400.db2.gz UZALLWZXMKIECH-LLHIFLOGSA-N 0 3 238.331 0.356 20 0 BCADHN CCN1CCN(c2ccnc(CO)c2)CC1=O ZINC000858481677 588959132 /nfs/dbraw/zinc/95/91/32/588959132.db2.gz NBVWFDREISAUED-UHFFFAOYSA-N 0 3 235.287 0.242 20 0 BCADHN CN1CCC[C@H]1CNC(=O)[C@H]1CSC(=O)N1 ZINC000746259072 584129744 /nfs/dbraw/zinc/12/97/44/584129744.db2.gz KICYOMQXLQLASP-JGVFFNPUSA-N 0 3 243.332 0.022 20 0 BCADHN Cn1cc(CNc2ccnc(CO)c2)nn1 ZINC000858479693 588959297 /nfs/dbraw/zinc/95/92/97/588959297.db2.gz ZEXZSTFIUZXZLV-UHFFFAOYSA-N 0 3 219.248 0.315 20 0 BCADHN O=C1C[C@H](NC/C=C/Cl)CCCN1 ZINC000898429325 584132217 /nfs/dbraw/zinc/13/22/17/584132217.db2.gz MUKWNECHIUQGDR-BYDTYLDUSA-N 0 3 202.685 0.997 20 0 BCADHN C[C@@H](Nc1ccnc(CO)c1)c1ncn(C)n1 ZINC000858502435 588960447 /nfs/dbraw/zinc/96/04/47/588960447.db2.gz LCPMVXIJYDAYKP-MRVPVSSYSA-N 0 3 233.275 0.876 20 0 BCADHN CC(C)N(C)CC(=O)N1CC(N2CCCC2)C1 ZINC000898613299 584146145 /nfs/dbraw/zinc/14/61/45/584146145.db2.gz AQQFRKTZMWVHKV-UHFFFAOYSA-N 0 3 239.363 0.633 20 0 BCADHN CC[C@@H](C(=O)N1CC(N2CCCC2)C1)N(C)C ZINC000898609290 584146244 /nfs/dbraw/zinc/14/62/44/584146244.db2.gz HVFAHZPMTNLANP-LBPRGKRZSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@H]1CC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000858502761 588960932 /nfs/dbraw/zinc/96/09/32/588960932.db2.gz QHIUSISNTJYBLW-NTSWFWBYSA-N 0 3 208.269 0.637 20 0 BCADHN C[C@@H]1CN(C)C(=O)CN1c1ccnc(CO)c1 ZINC000858505492 588961079 /nfs/dbraw/zinc/96/10/79/588961079.db2.gz LFGZVVNVBYPUTJ-SECBINFHSA-N 0 3 235.287 0.241 20 0 BCADHN C[NH+](C)[C@H]1C[C@@H](NC(=O)c2c[n-]nn2)C12CCC2 ZINC000898845454 584160910 /nfs/dbraw/zinc/16/09/10/584160910.db2.gz MSAKIDDGQOGDRV-ZJUUUORDSA-N 0 3 249.318 0.407 20 0 BCADHN C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cnn[n-]2)C12CCC2 ZINC000898845454 584160911 /nfs/dbraw/zinc/16/09/11/584160911.db2.gz MSAKIDDGQOGDRV-ZJUUUORDSA-N 0 3 249.318 0.407 20 0 BCADHN C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C12CCC2 ZINC000898845454 584160912 /nfs/dbraw/zinc/16/09/12/584160912.db2.gz MSAKIDDGQOGDRV-ZJUUUORDSA-N 0 3 249.318 0.407 20 0 BCADHN C[C@]1(C(N)=O)CCN(c2ccnc(CO)c2)C1 ZINC000858524004 588962918 /nfs/dbraw/zinc/96/29/18/588962918.db2.gz AYIMNOVKOKHSSC-LBPRGKRZSA-N 0 3 235.287 0.276 20 0 BCADHN C[S@](=O)C1(CNc2ccnc(CO)c2)CC1 ZINC000858529974 588963037 /nfs/dbraw/zinc/96/30/37/588963037.db2.gz RXGXXXRBEXDHKN-INIZCTEOSA-N 0 3 240.328 0.897 20 0 BCADHN CN(C)CCN(C)C(=O)NC/C=C\Cl ZINC000899052631 584173478 /nfs/dbraw/zinc/17/34/78/584173478.db2.gz YFBKFSJFGQLYSS-PLNGDYQASA-N 0 3 219.716 0.942 20 0 BCADHN OCc1cc(N2CC[C@](F)(CO)C2)ccn1 ZINC000858532273 588963238 /nfs/dbraw/zinc/96/32/38/588963238.db2.gz IMOVLUHRTGPVAH-LLVKDONJSA-N 0 3 226.251 0.485 20 0 BCADHN CC[C@H](C)N[C@@H](CNC(=O)CO)c1ccco1 ZINC000899077581 584175462 /nfs/dbraw/zinc/17/54/62/584175462.db2.gz ASOBOQFUKZBFKQ-UWVGGRQHSA-N 0 3 240.303 0.817 20 0 BCADHN C[C@H]1CCN1C(=O)C1CN(C2CCOCC2)C1 ZINC000899199807 584180554 /nfs/dbraw/zinc/18/05/54/584180554.db2.gz IGLMDVWPRASQBS-JTQLQIEISA-N 0 3 238.331 0.718 20 0 BCADHN Cc1nc(N)ccc1-c1cnn(C)c1CN ZINC000899323387 584196620 /nfs/dbraw/zinc/19/66/20/584196620.db2.gz NOEUYOBMWNZWLU-UHFFFAOYSA-N 0 3 217.276 0.831 20 0 BCADHN c1ncc(-c2cnc(N3CCNCC3)cn2)cn1 ZINC000899320244 584197324 /nfs/dbraw/zinc/19/73/24/584197324.db2.gz WJYPKXUQDDFLIS-UHFFFAOYSA-N 0 3 242.286 0.343 20 0 BCADHN C[C@H](CNC(=S)Nc1cnn(C)c1)N(C)C ZINC000899453676 584216196 /nfs/dbraw/zinc/21/61/96/584216196.db2.gz KYTHUMVVDJIYOH-MRVPVSSYSA-N 0 3 241.364 0.657 20 0 BCADHN CCNC(=S)NC[C@@H](CN(C)C)OCC ZINC000899567707 584219811 /nfs/dbraw/zinc/21/98/11/584219811.db2.gz ZHTUESPUWMQPQW-VIFPVBQESA-N 0 3 233.381 0.437 20 0 BCADHN CCC[C@H](O)CCNC(=S)NCCN(C)C ZINC000899572359 584219974 /nfs/dbraw/zinc/21/99/74/584219974.db2.gz DQXJDQVFRAXOOJ-JTQLQIEISA-N 0 3 247.408 0.563 20 0 BCADHN CN(CCO)CCNC(=O)c1ccsc1 ZINC000899728875 584230658 /nfs/dbraw/zinc/23/06/58/584230658.db2.gz XVVOXQIDWVBJSW-UHFFFAOYSA-N 0 3 228.317 0.402 20 0 BCADHN c1c(C2CCC2)nnn1C[C@H]1CNCCO1 ZINC000899730547 584230877 /nfs/dbraw/zinc/23/08/77/584230877.db2.gz LADFOGDUVQVEEJ-SNVBAGLBSA-N 0 3 222.292 0.534 20 0 BCADHN CCC[C@H](O)[C@@H](CO)Nc1ccnc(CO)c1 ZINC000858568786 588967446 /nfs/dbraw/zinc/96/74/46/588967446.db2.gz XETVQVYPJLJEMQ-NEPJUHHUSA-N 0 3 240.303 0.508 20 0 BCADHN CN(CCO)CCNC(=O)[C@H]1CC1(C)C ZINC000899736550 584231482 /nfs/dbraw/zinc/23/14/82/584231482.db2.gz JVXAKMPLPGSBHM-SECBINFHSA-N 0 3 214.309 0.073 20 0 BCADHN CN(CCO)CCNC(=O)C1(F)CCCCC1 ZINC000899738579 584232792 /nfs/dbraw/zinc/23/27/92/584232792.db2.gz HLILQDIGENZCCF-UHFFFAOYSA-N 0 3 246.326 0.699 20 0 BCADHN CC(C)OCCCC(=O)NCCN(C)CCO ZINC000899737625 584232994 /nfs/dbraw/zinc/23/29/94/584232994.db2.gz MJMDEKINHDHUPN-UHFFFAOYSA-N 0 3 246.351 0.232 20 0 BCADHN CC(C)[C@]1(C)C[C@@H]1C(=O)NCCN(C)CCO ZINC000899737367 584233179 /nfs/dbraw/zinc/23/31/79/584233179.db2.gz HAPKTEVCTBMMCO-YPMHNXCESA-N 0 3 242.363 0.709 20 0 BCADHN CO[C@@H](CC(C)C)C(=O)NCCN(C)CCO ZINC000899741108 584233599 /nfs/dbraw/zinc/23/35/99/584233599.db2.gz RVQUBXWVOBMPOS-NSHDSACASA-N 0 3 246.351 0.088 20 0 BCADHN CC[C@@H]1CCC[C@H]1C(=O)NCCN(C)CCO ZINC000899739500 584233613 /nfs/dbraw/zinc/23/36/13/584233613.db2.gz ZZTFDLDFRHRQBR-VXGBXAGGSA-N 0 3 242.363 0.853 20 0 BCADHN CCCCO[C@@H](C)C(=O)NCCN(C)CCO ZINC000899733157 584234423 /nfs/dbraw/zinc/23/44/23/584234423.db2.gz UIFHVCBDGRTKQU-NSHDSACASA-N 0 3 246.351 0.232 20 0 BCADHN C[C@@H](C(=O)NCCN(C)CCO)C(C)(C)C ZINC000899733565 584234438 /nfs/dbraw/zinc/23/44/38/584234438.db2.gz DNZNSQQJQXJGLC-JTQLQIEISA-N 0 3 230.352 0.709 20 0 BCADHN CC(C)CO[C@H](C)C(=O)NCCN(C)CCO ZINC000899732964 584234959 /nfs/dbraw/zinc/23/49/59/584234959.db2.gz PQFULPGOGAPBIE-LLVKDONJSA-N 0 3 246.351 0.088 20 0 BCADHN C/C(=C\C(=O)NCCN(C)CCO)C1CC1 ZINC000899732282 584234983 /nfs/dbraw/zinc/23/49/83/584234983.db2.gz GHGHZBXHZKGQIN-MDZDMXLPSA-N 0 3 226.320 0.383 20 0 BCADHN CCCC[C@@](C)(F)C(=O)NCCN(C)CCO ZINC000899741413 584235001 /nfs/dbraw/zinc/23/50/01/584235001.db2.gz WVADPSFJNKAWGQ-GFCCVEGCSA-N 0 3 248.342 0.945 20 0 BCADHN CCC(=CC(=O)NCCN(C)CCO)CC ZINC000899734614 584235432 /nfs/dbraw/zinc/23/54/32/584235432.db2.gz MUJYJYOJOMDNCH-UHFFFAOYSA-N 0 3 228.336 0.773 20 0 BCADHN CN(CCCF)C(=O)[C@@H]1CCCN1C ZINC000899815555 584239281 /nfs/dbraw/zinc/23/92/81/584239281.db2.gz VEASHQKVOLZDOS-VIFPVBQESA-N 0 3 202.273 0.899 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CCCOC1 ZINC000858580284 588968607 /nfs/dbraw/zinc/96/86/07/588968607.db2.gz YALQJFJYGFUQSI-DTWKUNHWSA-N 0 3 216.281 0.163 20 0 BCADHN O[C@H](CN1CC([C@H]2CCOC2)C1)C1(O)CCC1 ZINC000899884094 584246597 /nfs/dbraw/zinc/24/65/97/584246597.db2.gz XERVXEUVWIMOBB-CMPLNLGQSA-N 0 3 241.331 0.231 20 0 BCADHN CC1(C)CN(C[C@@H](O)C2(O)CCOCC2)C1 ZINC000899883735 584246931 /nfs/dbraw/zinc/24/69/31/584246931.db2.gz RPQWGVORKVRNHY-SNVBAGLBSA-N 0 3 229.320 0.231 20 0 BCADHN O[C@@H](CN1CC(CC2CC2)C1)C1(O)CCC1 ZINC000899893633 584248881 /nfs/dbraw/zinc/24/88/81/584248881.db2.gz UHRQXHDPRQMVNN-LBPRGKRZSA-N 0 3 225.332 0.994 20 0 BCADHN CC[C@@H](O)[C@@H](C)C(=O)N(C)C1CCN(C)CC1 ZINC000899908620 584249553 /nfs/dbraw/zinc/24/95/53/584249553.db2.gz CDCWADUHEHMHLV-ZYHUDNBSSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)NCCN(C)C ZINC000899920386 584252244 /nfs/dbraw/zinc/25/22/44/584252244.db2.gz NMIQFLGFXYLJFH-IUCAKERBSA-N 0 3 202.298 0.071 20 0 BCADHN CN(C)CCNC(=O)c1ncccc1N(C)C ZINC000899920660 584253923 /nfs/dbraw/zinc/25/39/23/584253923.db2.gz SCUPRIFGAUCBJX-UHFFFAOYSA-N 0 3 236.319 0.439 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H](C)Cn1cccn1 ZINC000858586318 588969709 /nfs/dbraw/zinc/96/97/09/588969709.db2.gz CTLIBUXUUGESRH-NXEZZACHSA-N 0 3 240.307 0.270 20 0 BCADHN CC(C(N)=O)S(=O)(=O)Cc1ccsc1 ZINC000899984534 584262334 /nfs/dbraw/zinc/26/23/34/584262334.db2.gz SWWRXQDIRFLRMN-ZCFIWIBFSA-N 0 3 233.314 0.537 20 0 BCADHN C[C@@H](NC(=O)C12CCN(CC1)C2)C1CC1 ZINC000899982533 584262410 /nfs/dbraw/zinc/26/24/10/584262410.db2.gz NLXMJZZTVOFKNN-SECBINFHSA-N 0 3 208.305 0.997 20 0 BCADHN CCC/C=C\[C@@H](O)C(=O)NC1CCN(C)CC1 ZINC000900002470 584263013 /nfs/dbraw/zinc/26/30/13/584263013.db2.gz UVVPMZKMOFDSBH-FOQNGQEVSA-N 0 3 240.347 0.914 20 0 BCADHN COCc1noc(-c2cc3n(n2)CCC[C@H]3N)n1 ZINC000900003424 584263066 /nfs/dbraw/zinc/26/30/66/584263066.db2.gz JHIZIDKCYFGXTC-SSDOTTSWSA-N 0 3 249.274 0.873 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)CCF ZINC000900009967 584265589 /nfs/dbraw/zinc/26/55/89/584265589.db2.gz QVZDTCWQHUYRRC-VIFPVBQESA-N 0 3 202.273 0.947 20 0 BCADHN CC[C@@H](O)[C@@H](C)C(=O)NCCN1CCCC1 ZINC000900011644 584266084 /nfs/dbraw/zinc/26/60/84/584266084.db2.gz XXQTVHXSXXJOQQ-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN CCC/C=C\[C@H](O)C(=O)NCCN1CCCC1 ZINC000900011364 584266197 /nfs/dbraw/zinc/26/61/97/584266197.db2.gz PZDADGPKHRWPMQ-KMSCOEIWSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@]1(c2nc(C3(N)CC3)no2)CCCN1 ZINC000900017743 584266917 /nfs/dbraw/zinc/26/69/17/584266917.db2.gz SEHBJNYGSOQYBH-SECBINFHSA-N 0 3 208.265 0.616 20 0 BCADHN OCc1cc(NCC[C@@]2(O)CCOC2)ccn1 ZINC000858604552 588970437 /nfs/dbraw/zinc/97/04/37/588970437.db2.gz HWNJVTHYUHGUTB-GFCCVEGCSA-N 0 3 238.287 0.527 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1c1ccnc(CO)c1 ZINC000858604767 588970846 /nfs/dbraw/zinc/97/08/46/588970846.db2.gz JSVOOJDQXXGKFV-NWDGAFQWSA-N 0 3 238.287 0.160 20 0 BCADHN Cc1ncc(C(=O)NC[C@H](C)N(C)C)n1C ZINC000900163444 584281191 /nfs/dbraw/zinc/28/11/91/584281191.db2.gz QDHQYIBBKRTGEK-QMMMGPOBSA-N 0 3 224.308 0.408 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)NC[C@H](C)N(C)C ZINC000900164281 584281773 /nfs/dbraw/zinc/28/17/73/584281773.db2.gz YGXJCQKCTHEKCH-AEJSXWLSSA-N 0 3 216.325 0.460 20 0 BCADHN CN(C)CCn1nccc1C(=O)N(C)C1CC1 ZINC000900170424 584282277 /nfs/dbraw/zinc/28/22/77/584282277.db2.gz ISZLBMNBPFZQIY-UHFFFAOYSA-N 0 3 236.319 0.679 20 0 BCADHN CN(C)C[C@H]1NC(=O)N(C/C=C/Cl)C1=O ZINC000900182647 584283397 /nfs/dbraw/zinc/28/33/97/584283397.db2.gz CCDOWANNHOSBBP-KGGZQZJCSA-N 0 3 231.683 0.221 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000900187912 584283909 /nfs/dbraw/zinc/28/39/09/584283909.db2.gz KTBCCMYPJIGCQQ-UEUCCFLYSA-N 0 3 240.347 0.914 20 0 BCADHN C/C=C\[C@H](O)C(=O)NCCN1CCC(C)CC1 ZINC000900204657 584285834 /nfs/dbraw/zinc/28/58/34/584285834.db2.gz MXAFVGNJPWTZCP-MVZIDQBPSA-N 0 3 240.347 0.772 20 0 BCADHN C/C=C/[C@@H](O)C(=O)NCCN1CCCCC1 ZINC000900206897 584285991 /nfs/dbraw/zinc/28/59/91/584285991.db2.gz DPNIDRAQEMWCOE-SZHMKSFOSA-N 0 3 226.320 0.526 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)C[C@]1(O)CCCN(C)C1 ZINC000900203369 584286139 /nfs/dbraw/zinc/28/61/39/584286139.db2.gz HBQGXGHCKIIAJQ-NQBHXWOUSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H](Cn1ccnc1)NC(=O)C12CCN(CC1)C2 ZINC000900216891 584287294 /nfs/dbraw/zinc/28/72/94/584287294.db2.gz YROJDAIXGZDPNV-LLVKDONJSA-N 0 3 248.330 0.484 20 0 BCADHN Cn1cc(CNC(=O)C23CCN(CC2)C3)cn1 ZINC000900338629 584294203 /nfs/dbraw/zinc/29/42/03/584294203.db2.gz CBZYANBKMUJKLL-UHFFFAOYSA-N 0 3 234.303 0.132 20 0 BCADHN CN1CCC[C@@](O)(CC(=O)Nc2cc[nH]n2)C1 ZINC000900419386 584306275 /nfs/dbraw/zinc/30/62/75/584306275.db2.gz WMYUYOPFVSIMOI-LLVKDONJSA-N 0 3 238.291 0.195 20 0 BCADHN CN1CCC[C@](O)(CC(=O)Nc2cc[nH]n2)C1 ZINC000900419387 584306287 /nfs/dbraw/zinc/30/62/87/584306287.db2.gz WMYUYOPFVSIMOI-NSHDSACASA-N 0 3 238.291 0.195 20 0 BCADHN CC(F)(F)C(=O)[N-][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000900478724 584315415 /nfs/dbraw/zinc/31/54/15/584315415.db2.gz UGYWNPNSDCFAOE-DSYKOEDSSA-N 0 3 204.220 0.651 20 0 BCADHN C[C@@H]1CCN(C(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900483068 584315805 /nfs/dbraw/zinc/31/58/05/584315805.db2.gz AMKBURWUUVZKRS-DGCLKSJQSA-N 0 3 240.347 0.702 20 0 BCADHN CN1CCC[C@@](O)(CC(=O)Nc2cnoc2)C1 ZINC000900474987 584317829 /nfs/dbraw/zinc/31/78/29/584317829.db2.gz WZKCKHQMDNSHSI-LLVKDONJSA-N 0 3 239.275 0.460 20 0 BCADHN CN1CCC[C@](O)(CC(=O)Nc2cnoc2)C1 ZINC000900474988 584317952 /nfs/dbraw/zinc/31/79/52/584317952.db2.gz WZKCKHQMDNSHSI-NSHDSACASA-N 0 3 239.275 0.460 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)CCF ZINC000900524454 584318416 /nfs/dbraw/zinc/31/84/16/584318416.db2.gz ZHYXBQYJZVJOHG-SECBINFHSA-N 0 3 202.273 0.899 20 0 BCADHN O=C(N1CCCn2nccc21)C12CCN(CC1)C2 ZINC000900499930 584319024 /nfs/dbraw/zinc/31/90/24/584319024.db2.gz ZXSUVVQYJLPNOA-UHFFFAOYSA-N 0 3 246.314 0.716 20 0 BCADHN OCc1cc(NC[C@@H](O)[C@@H]2CCCO2)ccn1 ZINC000858690534 588974383 /nfs/dbraw/zinc/97/43/83/588974383.db2.gz VJPDPOCGJFGCKX-NEPJUHHUSA-N 0 3 238.287 0.526 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)c1ccnn1CCN(C)C ZINC000900541202 584324660 /nfs/dbraw/zinc/32/46/60/584324660.db2.gz ORQBAUZGUFVYKA-NXEZZACHSA-N 0 3 236.319 0.583 20 0 BCADHN C/C=C\[C@H](O)C(=O)N(C)CC1CCN(C)CC1 ZINC000900575371 584327434 /nfs/dbraw/zinc/32/74/34/584327434.db2.gz VMZVKWBJIIGFJY-RXNFCKPNSA-N 0 3 240.347 0.724 20 0 BCADHN CN1CCC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000900590965 584329570 /nfs/dbraw/zinc/32/95/70/584329570.db2.gz RAQNQPUECVCYSQ-SECBINFHSA-N 0 3 222.292 0.163 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000900593058 584329578 /nfs/dbraw/zinc/32/95/78/584329578.db2.gz ZZBYDZRBCVDXSS-MXWKQRLJSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1cc(NC[C@@H](O)[C@H]2CCCO2)nc(N)n1 ZINC000858690677 588974940 /nfs/dbraw/zinc/97/49/40/588974940.db2.gz SINCRTRKEFWYAO-RKDXNWHRSA-N 0 3 238.291 0.319 20 0 BCADHN COCCN1CCC[C@@H](NC(=O)CCF)C1 ZINC000900605937 584330885 /nfs/dbraw/zinc/33/08/85/584330885.db2.gz PNDCQIAIXRKFFL-SNVBAGLBSA-N 0 3 232.299 0.573 20 0 BCADHN CN(C(=O)C12CCN(CC1)C2)[C@H]1CCOC1 ZINC000900609998 584331187 /nfs/dbraw/zinc/33/11/87/584331187.db2.gz HUOLSQGGXTXCLX-JTQLQIEISA-N 0 3 224.304 0.330 20 0 BCADHN COCCN1CC[C@@H](NC(=O)CCF)C1 ZINC000900623807 584333137 /nfs/dbraw/zinc/33/31/37/584333137.db2.gz LRIMYQWBVDYUOO-SECBINFHSA-N 0 3 218.272 0.183 20 0 BCADHN CCn1cc(Cn2cc([C@@](C)(N)CC)nn2)nn1 ZINC000900628248 584333821 /nfs/dbraw/zinc/33/38/21/584333821.db2.gz HLBKWXPIQNXZPA-NSHDSACASA-N 0 3 249.322 0.522 20 0 BCADHN C/C=C\[C@H](O)C(=O)NC[C@H]1CCCN(C)C1 ZINC000900630586 584334232 /nfs/dbraw/zinc/33/42/32/584334232.db2.gz OAHXAWXPALBBMT-ZSZRGSJWSA-N 0 3 226.320 0.381 20 0 BCADHN CN1CCC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC000900631262 584334309 /nfs/dbraw/zinc/33/43/09/584334309.db2.gz ZFCSWSCVKCMYSH-SNVBAGLBSA-N 0 3 236.319 0.410 20 0 BCADHN CC[C@@H](O)[C@@H](C)C(=O)N1CCCN(CC)CC1 ZINC000900633486 584334314 /nfs/dbraw/zinc/33/43/14/584334314.db2.gz NPQQUZKYGUKTQI-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](N)c1cn(CCOC(F)F)nn1 ZINC000900649138 584335997 /nfs/dbraw/zinc/33/59/97/584335997.db2.gz FQUBRCNDWZSNIB-RXMQYKEDSA-N 0 3 206.196 0.537 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)CNc1ccccn1 ZINC000900696403 584339066 /nfs/dbraw/zinc/33/90/66/584339066.db2.gz XXKVKWVGQVYEDY-LLVKDONJSA-N 0 3 248.330 0.704 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)Cc1c[nH]cn1 ZINC000900692862 584341872 /nfs/dbraw/zinc/34/18/72/584341872.db2.gz KSUNFVGAQGBINI-LLVKDONJSA-N 0 3 238.335 0.655 20 0 BCADHN C/C=C\[C@H](O)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000900830920 584354726 /nfs/dbraw/zinc/35/47/26/584354726.db2.gz OYZWGKQEFCONAE-FPNIURKZSA-N 0 3 226.320 0.476 20 0 BCADHN CN(C(=O)Cc1cnc[nH]1)[C@@H]1CCCN(C)C1 ZINC000900830209 584355229 /nfs/dbraw/zinc/35/52/29/584355229.db2.gz NYFSEYRICHYQHT-LLVKDONJSA-N 0 3 236.319 0.505 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](C)C[C@H](C)O)N(C)C ZINC000900802528 584355723 /nfs/dbraw/zinc/35/57/23/584355723.db2.gz VTOCJXAGCVAQMP-DCAQKATOSA-N 0 3 230.352 0.850 20 0 BCADHN C/C=C\[C@H](O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000900911620 584364759 /nfs/dbraw/zinc/36/47/59/584364759.db2.gz AHGXZTMWLNTGNB-CJOPTALJSA-N 0 3 226.320 0.381 20 0 BCADHN CC1(C)CN(C(=O)CCc2cn[nH]c2)CCN1 ZINC000900937087 584367144 /nfs/dbraw/zinc/36/71/44/584367144.db2.gz BZNVKKOZZXBXTQ-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN CON(C)C(=O)[C@@H](C)Nc1cc(C)nc(N)n1 ZINC000858841870 588978071 /nfs/dbraw/zinc/97/80/71/588978071.db2.gz KGLHVNOXGJBWOE-SSDOTTSWSA-N 0 3 239.279 0.187 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)[C@H](CC)N(C)C ZINC000901073607 584381656 /nfs/dbraw/zinc/38/16/56/584381656.db2.gz VVPMGLXPCKWLIQ-OUAUKWLOSA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@@H]([C@H](C)O)C1)N(C)C ZINC000901161969 584394324 /nfs/dbraw/zinc/39/43/24/584394324.db2.gz XYGLHSPGJBQFLN-TUAOUCFPSA-N 0 3 242.363 0.946 20 0 BCADHN COC1(C)CN(C(=O)C23CCN(CC2)C3)C1 ZINC000901273278 584412746 /nfs/dbraw/zinc/41/27/46/584412746.db2.gz IJMJYXDNOKWDRQ-UHFFFAOYSA-N 0 3 224.304 0.330 20 0 BCADHN CN1CCC(NC(=O)OCCF)CC1 ZINC000858883916 588981667 /nfs/dbraw/zinc/98/16/67/588981667.db2.gz YUFUUHWMYRKSGW-UHFFFAOYSA-N 0 3 204.245 0.776 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H](C)N(C)C[C@H]1C)N(C)C ZINC000901284414 584421563 /nfs/dbraw/zinc/42/15/63/584421563.db2.gz CJIBLTLEKYNYSN-UTUOFQBUSA-N 0 3 241.379 0.878 20 0 BCADHN CC[C@@H](C(=O)N1C[C@H](O)[C@@H](C)C1)N(C)C ZINC000901284367 584421688 /nfs/dbraw/zinc/42/16/88/584421688.db2.gz BJGLDCWWRMQASG-GUBZILKMSA-N 0 3 214.309 0.166 20 0 BCADHN CC[C@@H](O)[C@H](C)C(=O)NCC1=CCN(C)CC1 ZINC000901330682 584424473 /nfs/dbraw/zinc/42/44/73/584424473.db2.gz PZJDHSHASIJEEM-CMPLNLGQSA-N 0 3 240.347 0.772 20 0 BCADHN CN(C)[C@@H]1CCCN(CN2CCOC2=O)C1 ZINC000902145987 584530688 /nfs/dbraw/zinc/53/06/88/584530688.db2.gz AFJUUOOJDKBYGC-SNVBAGLBSA-N 0 3 227.308 0.422 20 0 BCADHN CC(C)OCC(=N)NOCc1cnns1 ZINC000902221136 584540477 /nfs/dbraw/zinc/54/04/77/584540477.db2.gz MWPAXNHAXKDZPG-UHFFFAOYSA-N 0 3 230.293 0.962 20 0 BCADHN CCn1ncc(CONC(=N)COC(C)C)n1 ZINC000902220154 584540636 /nfs/dbraw/zinc/54/06/36/584540636.db2.gz ANCUQAMMJMOMFW-UHFFFAOYSA-N 0 3 241.295 0.721 20 0 BCADHN CN(CN1CCOC1=O)CC1(N(C)C)CCC1 ZINC000902234776 584542589 /nfs/dbraw/zinc/54/25/89/584542589.db2.gz LPAMVQLYZAGJMD-UHFFFAOYSA-N 0 3 241.335 0.812 20 0 BCADHN COC1CCN(CCNC(=O)OCCF)CC1 ZINC000859053999 588992291 /nfs/dbraw/zinc/99/22/91/588992291.db2.gz ICNYINPAXFTYDP-UHFFFAOYSA-N 0 3 248.298 0.793 20 0 BCADHN CO[C@@H](C)C(=N)NOCc1nncs1 ZINC000902280952 584547233 /nfs/dbraw/zinc/54/72/33/584547233.db2.gz HQNKPOPZLIHUJR-YFKPBYRVSA-N 0 3 216.266 0.571 20 0 BCADHN CNc1ccc(C)cc1CNC(CO)CO ZINC000902275279 584550345 /nfs/dbraw/zinc/55/03/45/584550345.db2.gz KQGIJTOQXYYSNC-UHFFFAOYSA-N 0 3 224.304 0.480 20 0 BCADHN CN1CCN(CN2CCOC2=O)CCC1(C)C ZINC000902347522 584559085 /nfs/dbraw/zinc/55/90/85/584559085.db2.gz MNMXRLAEHNGHHG-UHFFFAOYSA-N 0 3 241.335 0.812 20 0 BCADHN CNc1ccccc1CNC[C@@]1(O)CCOC1 ZINC000902414047 584599547 /nfs/dbraw/zinc/59/95/47/584599547.db2.gz RBYUJRQDXTTXAO-ZDUSSCGKSA-N 0 3 236.315 0.969 20 0 BCADHN CC(C)CCOC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000859109127 589003386 /nfs/dbraw/zinc/00/33/86/589003386.db2.gz QENMSNHFYNYTAM-LBPRGKRZSA-N 0 3 244.335 0.825 20 0 BCADHN C[C@@H](N[C@H]1CNCCOC1)c1cncs1 ZINC000902457411 584610118 /nfs/dbraw/zinc/61/01/18/584610118.db2.gz RRBBBVNZLGJMNX-BDAKNGLRSA-N 0 3 227.333 0.782 20 0 BCADHN CCN(CCOC)CCc1cn(C)nn1 ZINC000859090826 589000342 /nfs/dbraw/zinc/00/03/42/589000342.db2.gz SBEWIWHVPXAWOT-UHFFFAOYSA-N 0 3 212.297 0.326 20 0 BCADHN O[C@H]1c2ccccc2C[C@@H]1N[C@H]1CNCCOC1 ZINC000902522096 584631234 /nfs/dbraw/zinc/63/12/34/584631234.db2.gz WEFVWWDQWZWHIL-UBHSHLNASA-N 0 3 248.326 0.223 20 0 BCADHN O[C@H]1c2ccccc2C[C@@H]1N[C@@H]1CNCCOC1 ZINC000902522097 584631647 /nfs/dbraw/zinc/63/16/47/584631647.db2.gz WEFVWWDQWZWHIL-XBFCOCLRSA-N 0 3 248.326 0.223 20 0 BCADHN CCn1cnc(CNCCN2CC[C@H](O)C2)c1 ZINC000902626708 584646402 /nfs/dbraw/zinc/64/64/02/584646402.db2.gz LVAOQBYRPAECNX-LBPRGKRZSA-N 0 3 238.335 0.059 20 0 BCADHN CNc1ccc(C)cc1CNC[C@H](O)[C@H](C)O ZINC000902632213 584646699 /nfs/dbraw/zinc/64/66/99/584646699.db2.gz MFHKFSGQBZYSJJ-GWCFXTLKSA-N 0 3 238.331 0.868 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1cn(C)nc1C1CC1 ZINC000902631430 584646991 /nfs/dbraw/zinc/64/69/91/584646991.db2.gz HPJIHVYAIZCRSA-LDYMZIIASA-N 0 3 239.319 0.129 20 0 BCADHN CCn1cc(CNC[C@@H](O)[C@H](C)O)c(C)n1 ZINC000902632497 584647913 /nfs/dbraw/zinc/64/79/13/584647913.db2.gz NVTJDOYSKCAPRQ-GXSJLCMTSA-N 0 3 227.308 0.043 20 0 BCADHN O=C(CO)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000902699529 584654998 /nfs/dbraw/zinc/65/49/98/584654998.db2.gz OCERZDAOOKHXBO-LBPRGKRZSA-N 0 3 246.310 0.990 20 0 BCADHN CN(C(=O)OC1COC1)C1CCN(C)CC1 ZINC000902776527 584669017 /nfs/dbraw/zinc/66/90/17/584669017.db2.gz OHNDHIOCIROCRO-UHFFFAOYSA-N 0 3 228.292 0.548 20 0 BCADHN CN(C)[C@H](CNC(=O)CCO)c1ccccc1 ZINC000902778130 584669250 /nfs/dbraw/zinc/66/92/50/584669250.db2.gz FDEXFCRSYLYFBF-GFCCVEGCSA-N 0 3 236.315 0.788 20 0 BCADHN O=C(CCO)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000902780344 584669588 /nfs/dbraw/zinc/66/95/88/584669588.db2.gz VXNRATMNCVGZMD-CYBMUJFWSA-N 0 3 248.326 0.760 20 0 BCADHN C[C@@H](NCCN1CCC[C@H]1C)c1cn(C)nn1 ZINC000902825874 584676104 /nfs/dbraw/zinc/67/61/04/584676104.db2.gz PELVYKUGMXZAII-GHMZBOCLSA-N 0 3 237.351 0.950 20 0 BCADHN C[C@@H]1C[C@@H](N(C)C(=O)OC2COC2)CCN1C ZINC000902874286 584684774 /nfs/dbraw/zinc/68/47/74/584684774.db2.gz DOPZEPVFNNFTHR-ZJUUUORDSA-N 0 3 242.319 0.936 20 0 BCADHN CN(C(=O)OC1COC1)[C@@H]1CCN(C2CC2)C1 ZINC000902858402 584685850 /nfs/dbraw/zinc/68/58/50/584685850.db2.gz FROKLXUNVMBJRS-SNVBAGLBSA-N 0 3 240.303 0.690 20 0 BCADHN CN(C[C@H]1CCCN(C)C1)C(=O)OC1COC1 ZINC000902864297 584686894 /nfs/dbraw/zinc/68/68/94/584686894.db2.gz IOFAJBNOWWLWLA-JTQLQIEISA-N 0 3 242.319 0.795 20 0 BCADHN C[C@H]1C[C@H](NC(=O)CCO)CN1C1CC1 ZINC000902898353 584687279 /nfs/dbraw/zinc/68/72/79/584687279.db2.gz ZKRIHAWWGVJCQO-IUCAKERBSA-N 0 3 212.293 0.110 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)OC2COC2)CCN1C ZINC000902876085 584687296 /nfs/dbraw/zinc/68/72/96/584687296.db2.gz MRGVMWQIFUMGDI-BDAKNGLRSA-N 0 3 228.292 0.594 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)CCO)CN1C1CC1 ZINC000902898356 584687393 /nfs/dbraw/zinc/68/73/93/584687393.db2.gz ZKRIHAWWGVJCQO-RKDXNWHRSA-N 0 3 212.293 0.110 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)OC2COC2)CCN1C ZINC000902876089 584687408 /nfs/dbraw/zinc/68/74/08/584687408.db2.gz MRGVMWQIFUMGDI-IUCAKERBSA-N 0 3 228.292 0.594 20 0 BCADHN C[C@H](N[C@@H]1CCc2n[nH]cc2C1)c1cn(C)nn1 ZINC000902882338 584688106 /nfs/dbraw/zinc/68/81/06/584688106.db2.gz UIAGAOCZSVOXAD-WCBMZHEXSA-N 0 3 246.318 0.746 20 0 BCADHN C[C@H]1C[C@H](NC(=O)OC2COC2)CN1C1CC1 ZINC000902896385 584691381 /nfs/dbraw/zinc/69/13/81/584691381.db2.gz DGUPLKKLMUVDDJ-IUCAKERBSA-N 0 3 240.303 0.737 20 0 BCADHN CN1CC[C@H](NC(=O)CCO)[C@@H]1c1ccccc1 ZINC000902910500 584694964 /nfs/dbraw/zinc/69/49/64/584694964.db2.gz AXDCTKICGHGZQS-JSGCOSHPSA-N 0 3 248.326 0.930 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2nccn2C)CCN1C ZINC000902926233 584697306 /nfs/dbraw/zinc/69/73/06/584697306.db2.gz BKNZTRWNPKNOOB-DTWKUNHWSA-N 0 3 222.292 0.243 20 0 BCADHN CN1CCC[C@]2(CCN(C(=O)CCO)C2)C1 ZINC000902938585 584700930 /nfs/dbraw/zinc/70/09/30/584700930.db2.gz IVCMEHFNZCWGCZ-LBPRGKRZSA-N 0 3 226.320 0.313 20 0 BCADHN C[C@@H]1CN(C(=O)CCO)CCN1c1ccncc1 ZINC000902965825 584701955 /nfs/dbraw/zinc/70/19/55/584701955.db2.gz LNRLYIDOJHWRQV-LLVKDONJSA-N 0 3 249.314 0.501 20 0 BCADHN C[C@H]1CN(c2ccncc2)CCN1C(=O)CCO ZINC000902967292 584702439 /nfs/dbraw/zinc/70/24/39/584702439.db2.gz FJXKDYFYIUYTQJ-NSHDSACASA-N 0 3 249.314 0.501 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)OC2COC2)CCN1 ZINC000902954553 584705059 /nfs/dbraw/zinc/70/50/59/584705059.db2.gz CDUICMJMUFNIKV-JTQLQIEISA-N 0 3 228.292 0.452 20 0 BCADHN O=C(CCO)NC[C@@H]1CCN1C1CCCC1 ZINC000902958312 584705568 /nfs/dbraw/zinc/70/55/68/584705568.db2.gz SJEJLTWTFKXCPV-NSHDSACASA-N 0 3 226.320 0.502 20 0 BCADHN O=C(CCO)NC[C@H]1CCN1C1CCCC1 ZINC000902958311 584705692 /nfs/dbraw/zinc/70/56/92/584705692.db2.gz SJEJLTWTFKXCPV-LLVKDONJSA-N 0 3 226.320 0.502 20 0 BCADHN O=C1NCC[C@@H]1CCN1CCC[C@H](F)C1 ZINC000902991929 584710056 /nfs/dbraw/zinc/71/00/56/584710056.db2.gz FLPGUXLLSWJYIA-ZJUUUORDSA-N 0 3 214.284 0.947 20 0 BCADHN OC1(CN2CCC[C@@H](F)C2)CCOCC1 ZINC000902993528 584711883 /nfs/dbraw/zinc/71/18/83/584711883.db2.gz SYMTTYYJEKMEQK-SNVBAGLBSA-N 0 3 217.284 0.962 20 0 BCADHN CC1(C)CCN(CCNC(=O)OC2COC2)C1 ZINC000903036486 584719393 /nfs/dbraw/zinc/71/93/93/584719393.db2.gz IECPDXSQGCBHSI-UHFFFAOYSA-N 0 3 242.319 0.843 20 0 BCADHN CCOCCN1CC[C@H](Nc2ncccn2)C1 ZINC000903022420 584720676 /nfs/dbraw/zinc/72/06/76/584720676.db2.gz IDGIRFBSIPNTTH-NSHDSACASA-N 0 3 236.319 0.999 20 0 BCADHN O[C@H](CN1CC[C@@H](Nc2ncccn2)C1)C1CC1 ZINC000903023329 584720812 /nfs/dbraw/zinc/72/08/12/584720812.db2.gz OEMAKIPKQOCXAZ-VXGBXAGGSA-N 0 3 248.330 0.734 20 0 BCADHN COC[C@@H](C)N1CC[C@H](Nc2ncccn2)C1 ZINC000903020550 584720975 /nfs/dbraw/zinc/72/09/75/584720975.db2.gz ZVAVYIVGFXWWIW-MNOVXSKESA-N 0 3 236.319 0.998 20 0 BCADHN CC[C@H](O)CN1CC[C@H](Nc2ncccn2)C1 ZINC000903021644 584721072 /nfs/dbraw/zinc/72/10/72/584721072.db2.gz CFFYMMPWNXDYCK-QWRGUYRKSA-N 0 3 236.319 0.734 20 0 BCADHN O[C@@H]1COC[C@@H]1N[C@H]1CCCc2cn[nH]c21 ZINC000903071979 584726305 /nfs/dbraw/zinc/72/63/05/584726305.db2.gz JAVHGSGIHUDHKJ-LPEHRKFASA-N 0 3 223.276 0.136 20 0 BCADHN CO[C@@H]1CCC[C@@H]1NC[C@H](O)c1cnn(C)c1 ZINC000903104559 584727841 /nfs/dbraw/zinc/72/78/41/584727841.db2.gz VSHGPNJUFGVVFQ-SDDRHHMPSA-N 0 3 239.319 0.611 20 0 BCADHN CO[C@H]1CCC[C@H]1NC1CN(c2ccncn2)C1 ZINC000903211577 584737058 /nfs/dbraw/zinc/73/70/58/584737058.db2.gz HJAUBWKLBDXXSY-NEPJUHHUSA-N 0 3 248.330 0.822 20 0 BCADHN C[C@H](O)[C@H]1CCCCN1CCc1cn(C)nn1 ZINC000859132148 589007045 /nfs/dbraw/zinc/00/70/45/589007045.db2.gz RVBSPFJSQWKFNZ-CMPLNLGQSA-N 0 3 238.335 0.593 20 0 BCADHN COc1nn(C)cc1CN[C@H](C)C(C)(C)CO ZINC000903338118 584751869 /nfs/dbraw/zinc/75/18/69/584751869.db2.gz OMSGKVPKCAGVHW-SECBINFHSA-N 0 3 241.335 0.925 20 0 BCADHN CCN1CCC[C@H](N[C@@H]2CN(C)C[C@@H]2C)C1=O ZINC000903392609 584756140 /nfs/dbraw/zinc/75/61/40/584756140.db2.gz VHYVSPGBAPNVFH-SDDRHHMPSA-N 0 3 239.363 0.537 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1N[C@@H]1COC[C@@H]1C1CC1 ZINC000903439878 584763126 /nfs/dbraw/zinc/76/31/26/584763126.db2.gz JEIWHXJKQVTDLY-MXWKQRLJSA-N 0 3 238.331 0.526 20 0 BCADHN CC[C@@H]1C[C@H]1CN1CCCNC[C@@H]1C(=O)OC ZINC000903452426 584771924 /nfs/dbraw/zinc/77/19/24/584771924.db2.gz LTISTPOLHUDIOH-GRYCIOLGSA-N 0 3 240.347 0.869 20 0 BCADHN COC(=O)[C@@H]1CNCCCN1CCOC1CC1 ZINC000903452503 584772216 /nfs/dbraw/zinc/77/22/16/584772216.db2.gz NVVMVBSCHZPPLX-NSHDSACASA-N 0 3 242.319 0.002 20 0 BCADHN FC(F)[C@H]1CNCCN1Cc1cnns1 ZINC000903451948 584772321 /nfs/dbraw/zinc/77/23/21/584772321.db2.gz FUYCJLYMZRTZOB-SSDOTTSWSA-N 0 3 234.275 0.577 20 0 BCADHN N[C@@H]1CN(Cc2cnn(CCF)c2)CC[C@H]1F ZINC000903766753 584797213 /nfs/dbraw/zinc/79/72/13/584797213.db2.gz RVWVCPQSZQVLMV-GHMZBOCLSA-N 0 3 244.289 0.724 20 0 BCADHN COCC(COC)N1CC[C@@H](F)[C@H](N)C1 ZINC000903765527 584797323 /nfs/dbraw/zinc/79/73/23/584797323.db2.gz JAKOXPZIGMOSGO-NXEZZACHSA-N 0 3 220.288 0.019 20 0 BCADHN CCn1cc(CN2CC[C@@H](F)[C@H](N)C2)nn1 ZINC000903767665 584798179 /nfs/dbraw/zinc/79/81/79/584798179.db2.gz ZAURWNKPKQTNOZ-NXEZZACHSA-N 0 3 227.287 0.169 20 0 BCADHN C[C@@H]1OCC[C@@H]1NCc1cc(N)ccn1 ZINC000903949871 584830795 /nfs/dbraw/zinc/83/07/95/584830795.db2.gz FZNQVYOTQGQUMW-KWQFWETISA-N 0 3 207.277 0.931 20 0 BCADHN Cc1cc(CNCc2cc(N)ccn2)nn1C ZINC000903954794 584832194 /nfs/dbraw/zinc/83/21/94/584832194.db2.gz VVXDMTKONPMUGM-UHFFFAOYSA-N 0 3 231.303 0.996 20 0 BCADHN NC(=O)C[C@@H]1CCCCN1Cc1ccc(N)nn1 ZINC000904314011 584863662 /nfs/dbraw/zinc/86/36/62/584863662.db2.gz PWWSNWOGXSZHRX-JTQLQIEISA-N 0 3 249.318 0.289 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1Cc1ccc(N)nn1 ZINC000904332546 584865993 /nfs/dbraw/zinc/86/59/93/584865993.db2.gz REEJOILODMJWIM-LBPRGKRZSA-N 0 3 249.362 0.831 20 0 BCADHN CCC(CC)(CO)NCc1ccc(N)nn1 ZINC000904329974 584866137 /nfs/dbraw/zinc/86/61/37/584866137.db2.gz VZQJJBWBTMSHEL-UHFFFAOYSA-N 0 3 224.308 0.700 20 0 BCADHN Cc1noc(C)c1CCNCc1ccc(N)nn1 ZINC000904362248 584871846 /nfs/dbraw/zinc/87/18/46/584871846.db2.gz KERRESUYFBDIRD-UHFFFAOYSA-N 0 3 247.302 0.996 20 0 BCADHN O=C(NC[C@@H]1CCCCN1CCO)OCCF ZINC000859174554 589013921 /nfs/dbraw/zinc/01/39/21/589013921.db2.gz FLWDGNZIJHLHAX-JTQLQIEISA-N 0 3 248.298 0.529 20 0 BCADHN C[C@@H]1[C@H](CO)CCCN1Cc1ccc(N)nn1 ZINC000904372755 584873735 /nfs/dbraw/zinc/87/37/35/584873735.db2.gz IIOVIHSBDVVUQU-ZJUUUORDSA-N 0 3 236.319 0.652 20 0 BCADHN Nc1ccc(CNC[C@H]2CCCO2)nn1 ZINC000904363850 584874275 /nfs/dbraw/zinc/87/42/75/584874275.db2.gz DGUMDWWKWKFWQN-SECBINFHSA-N 0 3 208.265 0.327 20 0 BCADHN O=C(NC[C@H]1CCCCN1CCO)OCCF ZINC000859174555 589013981 /nfs/dbraw/zinc/01/39/81/589013981.db2.gz FLWDGNZIJHLHAX-SNVBAGLBSA-N 0 3 248.298 0.529 20 0 BCADHN CCCOC(=O)NC[C@H]1CCCCN1CCO ZINC000859174874 589014008 /nfs/dbraw/zinc/01/40/08/589014008.db2.gz JMHGNRZPGDLLFU-LLVKDONJSA-N 0 3 244.335 0.969 20 0 BCADHN Cc1ccc(CCCN[C@H]2CNOC2)cn1 ZINC000904424399 584880859 /nfs/dbraw/zinc/88/08/59/584880859.db2.gz RTVXIMPNRPIHCQ-LBPRGKRZSA-N 0 3 221.304 0.816 20 0 BCADHN CCN(C)Cc1cccc(S(N)(=O)=O)c1 ZINC000876560721 584886239 /nfs/dbraw/zinc/88/62/39/584886239.db2.gz KHDNIHPCTCSWOG-UHFFFAOYSA-N 0 3 228.317 0.786 20 0 BCADHN C[S@](=O)CCN[C@H]1Cc2cccc(O)c2C1 ZINC000828426967 584903659 /nfs/dbraw/zinc/90/36/59/584903659.db2.gz FKOIFIHIFGPBLH-QFYYESIMSA-N 0 3 239.340 0.828 20 0 BCADHN CC1=NO[C@H](C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000828676842 584904269 /nfs/dbraw/zinc/90/42/69/584904269.db2.gz ANYJCOKPYYHSGZ-VWYCJHECSA-N 0 3 239.319 0.750 20 0 BCADHN COC(C)(C)CN(C)C(=O)[C@]1(F)CCNC1 ZINC000831264291 584909194 /nfs/dbraw/zinc/90/91/94/584909194.db2.gz ZLEWCWWMQKMFMZ-NSHDSACASA-N 0 3 232.299 0.571 20 0 BCADHN C/C=C\[C@H](O)C(=O)NC[C@@H](CN(C)C)OCC ZINC000831708027 584910657 /nfs/dbraw/zinc/91/06/57/584910657.db2.gz OWQYKLYIRFZBKN-MGVUPCTHSA-N 0 3 244.335 0.006 20 0 BCADHN COCCN1CC[C@H](NC(=S)NC2CC2)C1 ZINC000730732801 584914894 /nfs/dbraw/zinc/91/48/94/584914894.db2.gz DIWXPZBNOYRIDS-JTQLQIEISA-N 0 3 243.376 0.334 20 0 BCADHN Cn1ccnc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000741264970 584915058 /nfs/dbraw/zinc/91/50/58/584915058.db2.gz UPIOOVSFWBKADW-SNVBAGLBSA-N 0 3 236.319 0.492 20 0 BCADHN COC(=O)NCCCC(=O)NC[C@@H](C)N(C)C ZINC000730771235 584915291 /nfs/dbraw/zinc/91/52/91/584915291.db2.gz GABJWPQDXHIFTF-SECBINFHSA-N 0 3 245.323 0.189 20 0 BCADHN COCCN1CC[C@H](NC(=O)C[C@H](C)OC)C1 ZINC000730789424 584915790 /nfs/dbraw/zinc/91/57/90/584915790.db2.gz NAMBGVUHHIASCS-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN CC(C)N1CC[C@H](N[C@H](CCO)C2CC2)C1=O ZINC000763061052 584919602 /nfs/dbraw/zinc/91/96/02/584919602.db2.gz VUWPWFQOSYCZHE-NEPJUHHUSA-N 0 3 240.347 0.746 20 0 BCADHN COCCN1CCC[C@H]1CNC(=O)OC ZINC000731007748 584920957 /nfs/dbraw/zinc/92/09/57/584920957.db2.gz SKWLVAMDYKLNIS-VIFPVBQESA-N 0 3 216.281 0.453 20 0 BCADHN COCCN1CCC[C@@H]1CNC(=O)OC ZINC000731007747 584921016 /nfs/dbraw/zinc/92/10/16/584921016.db2.gz SKWLVAMDYKLNIS-SECBINFHSA-N 0 3 216.281 0.453 20 0 BCADHN CN(CCN1CCOC1=O)C[C@@H]1CCCCO1 ZINC000731104143 584922385 /nfs/dbraw/zinc/92/23/85/584922385.db2.gz VDKZDPKTADMASL-NSHDSACASA-N 0 3 242.319 0.940 20 0 BCADHN CCN(CCN1CCOC1=O)C[C@H]1CCCO1 ZINC000731104419 584922445 /nfs/dbraw/zinc/92/24/45/584922445.db2.gz ZHTOVTKWQHSIAX-LLVKDONJSA-N 0 3 242.319 0.940 20 0 BCADHN CNC(=S)N(C)[C@H]1CCN(C2CC2)C1 ZINC000731951189 584932162 /nfs/dbraw/zinc/93/21/62/584932162.db2.gz HGWRPBUWZHLYEZ-VIFPVBQESA-N 0 3 213.350 0.659 20 0 BCADHN COC[C@H](O)CN1CCCC[C@@H]1C1OCCO1 ZINC000732694972 584940043 /nfs/dbraw/zinc/94/00/43/584940043.db2.gz HALYDYPQRCWRJF-GHMZBOCLSA-N 0 3 245.319 0.221 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccn(C)n1 ZINC000733163037 584943663 /nfs/dbraw/zinc/94/36/63/584943663.db2.gz ASXDPQGAKXFGSW-LLVKDONJSA-N 0 3 238.335 0.736 20 0 BCADHN COC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000733159365 584943833 /nfs/dbraw/zinc/94/38/33/584943833.db2.gz PBOAMPQWXDSLPN-LLVKDONJSA-N 0 3 242.319 0.986 20 0 BCADHN Cc1nonc1CN1CCO[C@H](CN(C)C)C1 ZINC000734148987 584957689 /nfs/dbraw/zinc/95/76/89/584957689.db2.gz SHVQFKOAUSANJT-SNVBAGLBSA-N 0 3 240.307 0.140 20 0 BCADHN Cc1nonc1CN1CCN2CCC[C@@H]2C1 ZINC000734148669 584957765 /nfs/dbraw/zinc/95/77/65/584957765.db2.gz GECWHXTUHLFZJG-SNVBAGLBSA-N 0 3 222.292 0.658 20 0 BCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C1=COCC1 ZINC000734128291 584958815 /nfs/dbraw/zinc/95/88/15/584958815.db2.gz HQNGWHVUWOOWLM-GFCCVEGCSA-N 0 3 236.315 0.891 20 0 BCADHN C/C=C\C(=O)N(C)CCCN1CCN(C)CC1 ZINC000735703823 584981054 /nfs/dbraw/zinc/98/10/54/584981054.db2.gz LLHRDUWGNPVKKR-XQRVVYSFSA-N 0 3 239.363 0.658 20 0 BCADHN CC[C@@H]1CCCCN1CCS(N)(=O)=O ZINC000735883354 584983481 /nfs/dbraw/zinc/98/34/81/584983481.db2.gz HOOUKTRIPBDTKF-SECBINFHSA-N 0 3 220.338 0.539 20 0 BCADHN C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736145700 584990547 /nfs/dbraw/zinc/99/05/47/584990547.db2.gz WOONSWOEHVETEM-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736145700 584990548 /nfs/dbraw/zinc/99/05/48/584990548.db2.gz WOONSWOEHVETEM-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN CCCCN(C)CCNC(=O)c1nonc1C ZINC000736682604 585009674 /nfs/dbraw/zinc/00/96/74/585009674.db2.gz MLANOAVPIBBWGS-UHFFFAOYSA-N 0 3 240.307 0.840 20 0 BCADHN COC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000820182533 585011371 /nfs/dbraw/zinc/01/13/71/585011371.db2.gz MKTAYMAQGUAMQW-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC000820756919 585014628 /nfs/dbraw/zinc/01/46/28/585014628.db2.gz VQQXYSNLLCYOCO-VXGBXAGGSA-N 0 3 239.363 0.539 20 0 BCADHN CC[C@@H](OC)c1nc(N2CCNCC2)no1 ZINC000823334925 585028142 /nfs/dbraw/zinc/02/81/42/585028142.db2.gz NXZDWCKUZJZBMN-MRVPVSSYSA-N 0 3 226.280 0.577 20 0 BCADHN CN(C)CCNC(=S)N[C@H]1CCOC1(C)C ZINC000840783687 585029847 /nfs/dbraw/zinc/02/98/47/585029847.db2.gz FLIHOSVAKWZCNA-VIFPVBQESA-N 0 3 245.392 0.580 20 0 BCADHN C[C@H]1CC(=O)N(CN2CCC[C@H](N(C)C)C2)C1 ZINC000738142290 585041346 /nfs/dbraw/zinc/04/13/46/585041346.db2.gz BWGWNAQINGOTGO-RYUDHWBXSA-N 0 3 239.363 0.838 20 0 BCADHN CC[C@](C)(CNC(=S)NCCN(C)C)OC ZINC000840791559 585044114 /nfs/dbraw/zinc/04/41/14/585044114.db2.gz HRZHNYGGLKWZML-LLVKDONJSA-N 0 3 247.408 0.827 20 0 BCADHN COCCN(C)CCNC(=O)NOCC1CC1 ZINC000838606541 585061443 /nfs/dbraw/zinc/06/14/43/585061443.db2.gz LEIOVLXIBILKEU-UHFFFAOYSA-N 0 3 245.323 0.205 20 0 BCADHN CN(C)CCOCCNC(=O)NOCC1CC1 ZINC000838608461 585061826 /nfs/dbraw/zinc/06/18/26/585061826.db2.gz CUZGOIYDJMITSC-UHFFFAOYSA-N 0 3 245.323 0.205 20 0 BCADHN CN1CCC[C@H](CNC(=O)NOCC2CC2)C1 ZINC000838608618 585061859 /nfs/dbraw/zinc/06/18/59/585061859.db2.gz FOEWDOYICIJFPX-LLVKDONJSA-N 0 3 241.335 0.969 20 0 BCADHN C[C@@H](CNC(=O)NOCC1CC1)N(C)C ZINC000838611007 585062189 /nfs/dbraw/zinc/06/21/89/585062189.db2.gz BBGYYXXEZTVDHR-QMMMGPOBSA-N 0 3 215.297 0.577 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NOCC1CC1 ZINC000838615386 585062826 /nfs/dbraw/zinc/06/28/26/585062826.db2.gz ZBIBXITZEGVRCR-QMMMGPOBSA-N 0 3 215.297 0.577 20 0 BCADHN O[C@H](CN1CC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000838864333 585075912 /nfs/dbraw/zinc/07/59/12/585075912.db2.gz HEGUOCIELTYPAZ-BDAKNGLRSA-N 0 3 239.237 0.756 20 0 BCADHN CCn1ncc(CNC[C@H]2CCCN2CC)n1 ZINC000838889963 585078448 /nfs/dbraw/zinc/07/84/48/585078448.db2.gz QQHBOKMADZJWRQ-GFCCVEGCSA-N 0 3 237.351 0.872 20 0 BCADHN CCOCCOCCN(C)C[C@H](O)C1CC1 ZINC000838960557 585082224 /nfs/dbraw/zinc/08/22/24/585082224.db2.gz AGGSGVAMJMZCGN-LBPRGKRZSA-N 0 3 231.336 0.742 20 0 BCADHN CCNC(=O)CNCC(C)(C)CC(=O)OCC ZINC000838985706 585084321 /nfs/dbraw/zinc/08/43/21/585084321.db2.gz BVPWHFMVVMUYOI-UHFFFAOYSA-N 0 3 244.335 0.692 20 0 BCADHN CN(C)C(=O)O[C@H]1CCN(C[C@H](O)C2CC2)C1 ZINC000839025915 585088069 /nfs/dbraw/zinc/08/80/69/585088069.db2.gz GRZDWYOWDIDHRF-QWRGUYRKSA-N 0 3 242.319 0.530 20 0 BCADHN CCn1ncc(CN(C)CCN2CCCC2)n1 ZINC000839097217 585090657 /nfs/dbraw/zinc/09/06/57/585090657.db2.gz NVLUOLAPTZDNNS-UHFFFAOYSA-N 0 3 237.351 0.826 20 0 BCADHN CCn1ncc(CN[C@@H](C)CN(C)C)n1 ZINC000839096600 585090831 /nfs/dbraw/zinc/09/08/31/585090831.db2.gz WTTGVSZCBCCTQI-VIFPVBQESA-N 0 3 211.313 0.338 20 0 BCADHN CCCCOC(=O)CCN1C[C@H](O)[C@H](CO)C1 ZINC000839170657 585096314 /nfs/dbraw/zinc/09/63/14/585096314.db2.gz QXLFMMQINIVJDX-QWRGUYRKSA-N 0 3 245.319 0.005 20 0 BCADHN OC[C@H]1CN(Cc2ccc(CF)cc2)C[C@H]1O ZINC000839172812 585096357 /nfs/dbraw/zinc/09/63/57/585096357.db2.gz RCOTVEMAVOEXMV-CHWSQXEVSA-N 0 3 239.290 0.941 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCCN1CCCC1 ZINC000839199621 585099367 /nfs/dbraw/zinc/09/93/67/585099367.db2.gz NZBAERWQOQOFAX-WDEREUQCSA-N 0 3 214.309 0.086 20 0 BCADHN CN(CCNC(=O)[C@H]1CSC(=O)N1)C1CC1 ZINC000740741975 585105995 /nfs/dbraw/zinc/10/59/95/585105995.db2.gz BFRKAZBJVJROFL-MRVPVSSYSA-N 0 3 243.332 0.022 20 0 BCADHN C[C@H]1CCCN1CC(=O)NC1CCN(C)CC1 ZINC000740749655 585106342 /nfs/dbraw/zinc/10/63/42/585106342.db2.gz JEHFCGMWYMUTII-NSHDSACASA-N 0 3 239.363 0.681 20 0 BCADHN C[C@@H]1CCCN1CC(=O)NC1CCN(C)CC1 ZINC000740749654 585106398 /nfs/dbraw/zinc/10/63/98/585106398.db2.gz JEHFCGMWYMUTII-LLVKDONJSA-N 0 3 239.363 0.681 20 0 BCADHN Cn1ccnc1C(=O)NCCN1CCCCC1 ZINC000741260699 585111442 /nfs/dbraw/zinc/11/14/42/585111442.db2.gz HUTBKHNISGTOCK-UHFFFAOYSA-N 0 3 236.319 0.636 20 0 BCADHN CCCN(C)CC(=O)NCc1nonc1C ZINC000741218056 585111464 /nfs/dbraw/zinc/11/14/64/585111464.db2.gz ZRKHZTMROYNVMZ-UHFFFAOYSA-N 0 3 226.280 0.336 20 0 BCADHN C[C@@H](CNC(=O)c1nccn1C)N1CCCC1 ZINC000741263794 585111882 /nfs/dbraw/zinc/11/18/82/585111882.db2.gz MWXHTGCJJJOERC-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1nccn1C ZINC000741259266 585111994 /nfs/dbraw/zinc/11/19/94/585111994.db2.gz DWBJUANBFOUGHJ-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN CN(CCNC(=O)c1nccn1C)C1CC1 ZINC000741264926 585112567 /nfs/dbraw/zinc/11/25/67/585112567.db2.gz XNAPGZWSDSQISI-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN CN1CCN(C[C@H]2C[C@]23CCOC3)CCC1=O ZINC000886279227 585116949 /nfs/dbraw/zinc/11/69/49/585116949.db2.gz SWWWUKKRBSRRPG-YPMHNXCESA-N 0 3 238.331 0.577 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C2=COCC2)CCN1C ZINC000741723436 585117181 /nfs/dbraw/zinc/11/71/81/585117181.db2.gz FQMMAZLNOAEBPA-ONGXEEELSA-N 0 3 224.304 0.890 20 0 BCADHN C[C@@H]1CCCN(CCS(N)(=O)=O)[C@H]1C ZINC000741790285 585119073 /nfs/dbraw/zinc/11/90/73/585119073.db2.gz GAMJFCLMSYNNGS-BDAKNGLRSA-N 0 3 220.338 0.395 20 0 BCADHN C[C@H](NC(=S)NCCN(C)C)[C@H]1CCOC1 ZINC000741862644 585120420 /nfs/dbraw/zinc/12/04/20/585120420.db2.gz SFFCJFQZTJWYIP-UWVGGRQHSA-N 0 3 245.392 0.437 20 0 BCADHN C[C@@H]1CC(=O)N(CN2CC[C@@H](N3CC=CC3)C2)C1 ZINC000742163394 585122436 /nfs/dbraw/zinc/12/24/36/585122436.db2.gz RNAWLIUAZONDTG-CHWSQXEVSA-N 0 3 249.358 0.758 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)[C@H]1CCCO1 ZINC000742239090 585123852 /nfs/dbraw/zinc/12/38/52/585123852.db2.gz DSUHHVQCWCNNTG-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN COCC(=O)NCCN1CCC[C@H]1C ZINC000742242411 585124034 /nfs/dbraw/zinc/12/40/34/585124034.db2.gz ULNPRKAOYDGCGD-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN CN(C)CCNC(=S)NCC(C)(C)CCO ZINC000743035191 585133240 /nfs/dbraw/zinc/13/32/40/585133240.db2.gz FPDZBYMCWSZKTQ-UHFFFAOYSA-N 0 3 247.408 0.421 20 0 BCADHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ncccn1 ZINC000743415193 585136375 /nfs/dbraw/zinc/13/63/75/585136375.db2.gz QKLQKABLNADSEA-NSHDSACASA-N 0 3 248.330 0.890 20 0 BCADHN COCCOC[C@H](C)N[C@H]1CCCCNC1=O ZINC000743479183 585137546 /nfs/dbraw/zinc/13/75/46/585137546.db2.gz CYKRXILHJYCJFD-QWRGUYRKSA-N 0 3 244.335 0.296 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)CN(C)C ZINC000743586719 585138052 /nfs/dbraw/zinc/13/80/52/585138052.db2.gz HDNSXZAQSMARSG-JTQLQIEISA-N 0 3 215.341 0.250 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1nccn1C ZINC000743813069 585139753 /nfs/dbraw/zinc/13/97/53/585139753.db2.gz ILLGUEOKDZNTGS-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1cnn(C)c1 ZINC000744349659 585149294 /nfs/dbraw/zinc/14/92/94/585149294.db2.gz MAXMJOCLOTYXIX-SNVBAGLBSA-N 0 3 236.319 0.634 20 0 BCADHN Cc1n[nH]cc1C(=O)NCCN1CCC[C@H]1C ZINC000744347457 585149385 /nfs/dbraw/zinc/14/93/85/585149385.db2.gz BNLSNJYYNIJRCP-SECBINFHSA-N 0 3 236.319 0.932 20 0 BCADHN CN(C)CCCNC(=O)C(=O)C(C)(C)C ZINC000746014579 585162658 /nfs/dbraw/zinc/16/26/58/585162658.db2.gz DDJRLZIGPSETFC-UHFFFAOYSA-N 0 3 214.309 0.670 20 0 BCADHN O=C(c1nc[nH]n1)N1CCC[C@@H]1CN1CCCC1 ZINC000746146883 585163928 /nfs/dbraw/zinc/16/39/28/585163928.db2.gz LRMGQXHMTKZLLW-SNVBAGLBSA-N 0 3 249.318 0.505 20 0 BCADHN CN1CC[C@H](CNC(=O)C(=O)C(C)(C)C)C1 ZINC000746153991 585164008 /nfs/dbraw/zinc/16/40/08/585164008.db2.gz SPCYHHLHGFMUME-SECBINFHSA-N 0 3 226.320 0.670 20 0 BCADHN CN1CC[C@@H](CNC(=O)C(=O)C(C)(C)C)C1 ZINC000746153993 585164214 /nfs/dbraw/zinc/16/42/14/585164214.db2.gz SPCYHHLHGFMUME-VIFPVBQESA-N 0 3 226.320 0.670 20 0 BCADHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2nc[nH]n2)C1 ZINC000746239542 585166131 /nfs/dbraw/zinc/16/61/31/585166131.db2.gz GPMPYMYCWSNRQC-NXEZZACHSA-N 0 3 249.318 0.361 20 0 BCADHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2nc[nH]n2)C1 ZINC000746239544 585166143 /nfs/dbraw/zinc/16/61/43/585166143.db2.gz GPMPYMYCWSNRQC-VHSXEESVSA-N 0 3 249.318 0.361 20 0 BCADHN Cc1nonc1CNC(=O)C1CCN(C)CC1 ZINC000746275928 585166977 /nfs/dbraw/zinc/16/69/77/585166977.db2.gz PFRUGFGIYKXDKG-UHFFFAOYSA-N 0 3 238.291 0.336 20 0 BCADHN Cc1cc(N2CCC[C@@H](CC(N)=O)C2)nc(N)n1 ZINC000747227972 585176943 /nfs/dbraw/zinc/17/69/43/585176943.db2.gz SCJPIFRADQOABW-VIFPVBQESA-N 0 3 249.318 0.459 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)c1ccon1 ZINC000747227187 585177089 /nfs/dbraw/zinc/17/70/89/585177089.db2.gz KWVRPUUVUMPGIU-JTQLQIEISA-N 0 3 225.292 0.991 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NCc1ccon1 ZINC000747579708 585180993 /nfs/dbraw/zinc/18/09/93/585180993.db2.gz FINZAVAIXMWOGZ-JTQLQIEISA-N 0 3 238.291 0.568 20 0 BCADHN CN1CCCN(C(=O)NCc2ccon2)CC1 ZINC000747595303 585181097 /nfs/dbraw/zinc/18/10/97/585181097.db2.gz DCOFRDUVKQIEKT-UHFFFAOYSA-N 0 3 238.291 0.522 20 0 BCADHN Cn1ncc2c1[nH]cnc2=NNc1cc(O)c[nH]1 ZINC000747633545 585181473 /nfs/dbraw/zinc/18/14/73/585181473.db2.gz SQINNSLZWKWDJV-UHFFFAOYSA-N 0 3 245.246 0.134 20 0 BCADHN COC[C@H](C)N1CC[C@H](NC(=O)OC)C1 ZINC000886848693 585184990 /nfs/dbraw/zinc/18/49/90/585184990.db2.gz LDUVXXOCDIVZCA-IUCAKERBSA-N 0 3 216.281 0.452 20 0 BCADHN CO[C@@H](C)C(=O)N1CCC12CCN(C)CC2 ZINC000748326002 585190533 /nfs/dbraw/zinc/19/05/33/585190533.db2.gz MUFCVZFDKZYXIY-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN CN1CCC2(CCN2C(=O)Cn2cccn2)CC1 ZINC000748323961 585190728 /nfs/dbraw/zinc/19/07/28/585190728.db2.gz JZVWTEKAGKECCA-UHFFFAOYSA-N 0 3 248.330 0.580 20 0 BCADHN Cc1ncsc1C(=O)NCCN(C)CCO ZINC000748813097 585196552 /nfs/dbraw/zinc/19/65/52/585196552.db2.gz RGBSHCHZMFYICT-UHFFFAOYSA-N 0 3 243.332 0.105 20 0 BCADHN CO[C@@H](C)CC(=O)NCCN(C)C1CC1 ZINC000749584756 585204176 /nfs/dbraw/zinc/20/41/76/585204176.db2.gz DHMUPAHWLFMKFH-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H](O)CN1CCN(CCCCCCO)CC1 ZINC000750180951 585211830 /nfs/dbraw/zinc/21/18/30/585211830.db2.gz WIQCOYGVDRWCGB-ZDUSSCGKSA-N 0 3 244.379 0.538 20 0 BCADHN Cc1nn[nH]c1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000789979249 585218103 /nfs/dbraw/zinc/21/81/03/585218103.db2.gz IEQXNJSNPNWWTQ-XCBNKYQSSA-N 0 3 249.318 0.326 20 0 BCADHN CCOCCNC(=S)N[C@H]1CCCN(C)C1 ZINC000751001881 585223461 /nfs/dbraw/zinc/22/34/61/585223461.db2.gz XNAWMERIPMOACP-JTQLQIEISA-N 0 3 245.392 0.581 20 0 BCADHN C/C=C(\C)C(=O)N1CCN(CCN(C)C)CC1 ZINC000751309018 585226468 /nfs/dbraw/zinc/22/64/68/585226468.db2.gz MAYKKFXFDYVQLM-LFYBBSHMSA-N 0 3 239.363 0.658 20 0 BCADHN COCCN(CCN(C)C)C(=O)/C=C/SC ZINC000751466389 585231092 /nfs/dbraw/zinc/23/10/92/585231092.db2.gz OTAWHCIFINUPCR-BJMVGYQFSA-N 0 3 246.376 0.900 20 0 BCADHN CS/C=C/C(=O)NCC1(O)CCN(C)CC1 ZINC000751586788 585234130 /nfs/dbraw/zinc/23/41/30/585234130.db2.gz UFKNSSCSELCKPD-FPYGCLRLSA-N 0 3 244.360 0.436 20 0 BCADHN COC[C@H]1CCCN1C(=S)NCCN(C)C ZINC000751908094 585238993 /nfs/dbraw/zinc/23/89/93/585238993.db2.gz PTGSYYZYQCIKGR-SNVBAGLBSA-N 0 3 245.392 0.533 20 0 BCADHN CO[C@@H]1CCN(Cc2ccn(C)c(=O)c2)C1 ZINC000752086921 585241878 /nfs/dbraw/zinc/24/18/78/585241878.db2.gz BMCGEUBFLJNEMZ-LLVKDONJSA-N 0 3 222.288 0.606 20 0 BCADHN O=C1NC[C@@H]2CN(CCCCCCO)CCN12 ZINC000752096828 585242306 /nfs/dbraw/zinc/24/23/06/585242306.db2.gz ZOEWWEXALVQSQB-LLVKDONJSA-N 0 3 241.335 0.249 20 0 BCADHN CN(C)C1(C(=O)N[C@@H]2CCOC2)CCC1 ZINC000752417588 585245845 /nfs/dbraw/zinc/24/58/45/585245845.db2.gz AXRRSBVXICXIJI-SECBINFHSA-N 0 3 212.293 0.376 20 0 BCADHN COCCN(C)CCCNC(=O)N(C)OC ZINC000753379076 585257795 /nfs/dbraw/zinc/25/77/95/585257795.db2.gz PETGKSAVEPZZCB-UHFFFAOYSA-N 0 3 233.312 0.158 20 0 BCADHN CNC(=O)N1CCN(C[Si](C)(C)C)CC1 ZINC000753421851 585258661 /nfs/dbraw/zinc/25/86/61/585258661.db2.gz LJDJPGSYIZUPBQ-UHFFFAOYSA-N 0 3 229.400 0.821 20 0 BCADHN CN(C)CCOCCNC(=O)C1=CCCCO1 ZINC000753440575 585259129 /nfs/dbraw/zinc/25/91/29/585259129.db2.gz VHNJSRBLSZZEKK-UHFFFAOYSA-N 0 3 242.319 0.375 20 0 BCADHN CON(C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000753587640 585263020 /nfs/dbraw/zinc/26/30/20/585263020.db2.gz KBMFKWAMTLZRRY-SCZZXKLOSA-N 0 3 227.308 0.672 20 0 BCADHN CCC(=O)CCN1C[C@@H](OC)[C@@H](OC)C1 ZINC000753807053 585270005 /nfs/dbraw/zinc/27/00/05/585270005.db2.gz QSSNAKUMXOQSOR-PHIMTYICSA-N 0 3 215.293 0.701 20 0 BCADHN COC(=O)[C@@H]1CCN(CC[C@@H]2CCOC2=O)C1 ZINC000753843003 585271098 /nfs/dbraw/zinc/27/10/98/585271098.db2.gz AMGLAZQKQLODKW-NXEZZACHSA-N 0 3 241.287 0.435 20 0 BCADHN CNC(=S)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000753964027 585273562 /nfs/dbraw/zinc/27/35/62/585273562.db2.gz RFEHXDODVSJMLN-JGVFFNPUSA-N 0 3 213.350 0.706 20 0 BCADHN CCNCC(=O)NCCOc1ccccc1F ZINC000754273038 585281663 /nfs/dbraw/zinc/28/16/63/585281663.db2.gz JHMZWQOUICTLGY-UHFFFAOYSA-N 0 3 240.278 0.930 20 0 BCADHN C[C@H]1COCCN(Cc2ccn(C)c(=O)c2)C1 ZINC000754385632 585283695 /nfs/dbraw/zinc/28/36/95/585283695.db2.gz MXHKAUCBYWJARE-LLVKDONJSA-N 0 3 236.315 0.854 20 0 BCADHN COC(=O)C[C@@H](NCc1ccnn1C)C1CC1 ZINC000754534531 585285536 /nfs/dbraw/zinc/28/55/36/585285536.db2.gz AWUZBUHTVXHIQS-LLVKDONJSA-N 0 3 237.303 0.851 20 0 BCADHN CCC[C@@H]1CCCCN1CCS(N)(=O)=O ZINC000755245628 585296536 /nfs/dbraw/zinc/29/65/36/585296536.db2.gz QPSSNYMKDRZTDJ-SNVBAGLBSA-N 0 3 234.365 0.930 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC000755588541 585302095 /nfs/dbraw/zinc/30/20/95/585302095.db2.gz HKDPDRKJYYFNKZ-ZYHUDNBSSA-N 0 3 249.314 0.390 20 0 BCADHN COCC[C@H](C)N1CCCNC(=O)C1 ZINC000755934551 585311032 /nfs/dbraw/zinc/31/10/32/585311032.db2.gz NGJJUVUXDQODTK-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CN(C)CCNC(=S)NC[C@H]1CCCS1 ZINC000756785727 585323270 /nfs/dbraw/zinc/32/32/70/585323270.db2.gz KXRBSJGDYYGZCU-SECBINFHSA-N 0 3 247.433 0.908 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc[n+]([O-])c1 ZINC000756933299 585325225 /nfs/dbraw/zinc/32/52/25/585325225.db2.gz NYYJRPXVAQRSQL-LBPRGKRZSA-N 0 3 249.314 0.486 20 0 BCADHN Cc1nonc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000756933550 585325300 /nfs/dbraw/zinc/32/53/00/585325300.db2.gz SYALZUXYTNJLOQ-SECBINFHSA-N 0 3 238.291 0.544 20 0 BCADHN Cc1cc(N[C@H](CO)c2cnn(C)c2)nc(N)n1 ZINC000756955049 585325809 /nfs/dbraw/zinc/32/58/09/585325809.db2.gz HXXJAMZUNAZYBB-SECBINFHSA-N 0 3 248.290 0.246 20 0 BCADHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ncccn2)C1 ZINC000757045169 585327110 /nfs/dbraw/zinc/32/71/10/585327110.db2.gz KMZMJGFKGLGRKW-GHMZBOCLSA-N 0 3 248.330 0.935 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H](CCO)C1CC1)N(C)C ZINC000757072105 585327410 /nfs/dbraw/zinc/32/74/10/585327410.db2.gz GBTYAPPDVCCYBX-NEPJUHHUSA-N 0 3 242.363 0.850 20 0 BCADHN CON(C)C(=O)CN[C@H](C)[C@](C)(OC)C1CC1 ZINC000839636811 585332882 /nfs/dbraw/zinc/33/28/82/585332882.db2.gz BRWHEVKIXNLJKW-SKDRFNHKSA-N 0 3 244.335 0.799 20 0 BCADHN C[C@H]1[C@@H](CO)CCCN1CCN1CCOC1=O ZINC000839668852 585333418 /nfs/dbraw/zinc/33/34/18/585333418.db2.gz IMTOYKGBIYQHPO-WDEREUQCSA-N 0 3 242.319 0.531 20 0 BCADHN COC(=O)[C@]1(C)CCCN(CC(OC)OC)C1 ZINC000839665534 585334708 /nfs/dbraw/zinc/33/47/08/585334708.db2.gz HZXBOHXETRUEEX-GFCCVEGCSA-N 0 3 245.319 0.880 20 0 BCADHN C[C@@H]1[C@H](CO)CCCN1CC1OCCO1 ZINC000839676916 585336919 /nfs/dbraw/zinc/33/69/19/585336919.db2.gz ZEOFGTBPYZVEPM-ZJUUUORDSA-N 0 3 215.293 0.452 20 0 BCADHN O=C1CC[C@@H](N2CC[C@H](C3CCC3)C2)C(=O)N1 ZINC000839679014 585337050 /nfs/dbraw/zinc/33/70/50/585337050.db2.gz BTTKDHMICGWSPG-WDEREUQCSA-N 0 3 236.315 0.914 20 0 BCADHN CCONC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000757727323 585344829 /nfs/dbraw/zinc/34/48/29/585344829.db2.gz OCLAJSUOXOJKEJ-WPRPVWTQSA-N 0 3 227.308 0.720 20 0 BCADHN CONC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000757729401 585344995 /nfs/dbraw/zinc/34/49/95/585344995.db2.gz ZHRUZROARCYMEY-IONNQARKSA-N 0 3 213.281 0.330 20 0 BCADHN CONC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000757729400 585345121 /nfs/dbraw/zinc/34/51/21/585345121.db2.gz ZHRUZROARCYMEY-CBAPKCEASA-N 0 3 213.281 0.330 20 0 BCADHN COC1(CNCC2(C)OCCO2)CCOCC1 ZINC000758427603 585355832 /nfs/dbraw/zinc/35/58/32/585355832.db2.gz WHPYYBOZFUZWPT-UHFFFAOYSA-N 0 3 245.319 0.535 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)c1cnco1 ZINC000759113397 585364281 /nfs/dbraw/zinc/36/42/81/585364281.db2.gz CDGXFEDRYSVFQO-VIFPVBQESA-N 0 3 225.292 0.991 20 0 BCADHN COC(=O)CCN(CCF)C1CCOCC1 ZINC000759347479 585370725 /nfs/dbraw/zinc/37/07/25/585370725.db2.gz OEUNTVVKXBOFHE-UHFFFAOYSA-N 0 3 233.283 1.000 20 0 BCADHN CCCN(C)CC(=O)N[C@](C)(CO)C1CC1 ZINC000759534214 585374774 /nfs/dbraw/zinc/37/47/74/585374774.db2.gz JCUWRNADVPQYHT-GFCCVEGCSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1cncnc1 ZINC000760634789 585394939 /nfs/dbraw/zinc/39/49/39/585394939.db2.gz VWPZYIWEOFDSCP-SNVBAGLBSA-N 0 3 234.303 0.691 20 0 BCADHN COC[C@@H](C)CN(C)[C@H]1CCCCNC1=O ZINC000760842884 585399053 /nfs/dbraw/zinc/39/90/53/585399053.db2.gz KXQAKUCPKNOHOC-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CCN(C)C(=O)CCN1CCN(C)[C@H](C)C1 ZINC000761074556 585404063 /nfs/dbraw/zinc/40/40/63/585404063.db2.gz XIQWCWXTKLLKHT-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2)CCN1C ZINC000761070867 585405142 /nfs/dbraw/zinc/40/51/42/585405142.db2.gz ANKWEDGKCNGEAZ-LLVKDONJSA-N 0 3 247.342 0.921 20 0 BCADHN C[C@@H]1CN(CC[C@H]2CCOC2=O)CCN1C ZINC000761069289 585405329 /nfs/dbraw/zinc/40/53/29/585405329.db2.gz JRMNDHHXLRANFQ-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN C[C@H]1CN(CCCN2CCCC2=O)CCN1C ZINC000761074729 585406069 /nfs/dbraw/zinc/40/60/69/585406069.db2.gz YNRWJFOWWHKWGU-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CNS(=O)(=O)CCCN1CC[C@@H]2C[C@@H]21 ZINC000761083470 585407148 /nfs/dbraw/zinc/40/71/48/585407148.db2.gz JXDLODMDJUWZGM-BDAKNGLRSA-N 0 3 218.322 0.020 20 0 BCADHN Cn1ccc(CN2CC[C@H]3C[C@H]32)cc1=O ZINC000761101204 585409473 /nfs/dbraw/zinc/40/94/73/585409473.db2.gz YUQRETIXSIEPMZ-WDEREUQCSA-N 0 3 204.273 0.980 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CC[C@@H]1CCOC1=O ZINC000761104834 585409595 /nfs/dbraw/zinc/40/95/95/585409595.db2.gz ILUPQTISLYXVKX-OPRDCNLKSA-N 0 3 213.277 0.395 20 0 BCADHN CC1(CN2CCCC3(C2)OCCO3)COC1 ZINC000761687723 585417988 /nfs/dbraw/zinc/41/79/88/585417988.db2.gz KHFPLEIZTYGIHO-UHFFFAOYSA-N 0 3 227.304 0.862 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CC(C)(C)OC1=O ZINC000762040559 585425008 /nfs/dbraw/zinc/42/50/08/585425008.db2.gz QOEYICMUCCAUFN-SECBINFHSA-N 0 3 242.319 0.539 20 0 BCADHN CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1O ZINC000762209851 585429083 /nfs/dbraw/zinc/42/90/83/585429083.db2.gz YNMRKFPQZVTLQK-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)C=C2CCCC2)C1 ZINC000762714820 585436069 /nfs/dbraw/zinc/43/60/69/585436069.db2.gz DFQJSWMURMZOOF-CYBMUJFWSA-N 0 3 238.331 0.670 20 0 BCADHN CCCN(C)CC(=O)NCCc1ccnn1C ZINC000762717220 585436143 /nfs/dbraw/zinc/43/61/43/585436143.db2.gz TZEDWOLNVWRCIX-UHFFFAOYSA-N 0 3 238.335 0.421 20 0 BCADHN CCC/C(C)=C\C(=O)NC[C@]1(O)CCN(C)C1 ZINC000762723299 585436164 /nfs/dbraw/zinc/43/61/64/585436164.db2.gz SGTLIKYTASESMB-BIRHUZIMSA-N 0 3 240.347 0.916 20 0 BCADHN CS/C=C\C(=O)NC[C@]1(O)CCN(C)C1 ZINC000762720995 585436193 /nfs/dbraw/zinc/43/61/93/585436193.db2.gz FOKGKUOZAPRSRZ-XICOKMJESA-N 0 3 230.333 0.046 20 0 BCADHN COC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC000762964040 585440145 /nfs/dbraw/zinc/44/01/45/585440145.db2.gz JSRBUCJQBRTYMZ-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](O)C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC000762977828 585440650 /nfs/dbraw/zinc/44/06/50/585440650.db2.gz CKOBDPFEXNNBIK-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](O)C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC000762977820 585440742 /nfs/dbraw/zinc/44/07/42/585440742.db2.gz CKOBDPFEXNNBIK-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN CSCCNC(=O)C1(N(C)C)CCC1 ZINC000763010407 585441330 /nfs/dbraw/zinc/44/13/30/585441330.db2.gz RYMDPWBSUFDXCZ-UHFFFAOYSA-N 0 3 216.350 0.950 20 0 BCADHN Cc1nonc1CNC(=O)C1(N(C)C)CCC1 ZINC000763051727 585442557 /nfs/dbraw/zinc/44/25/57/585442557.db2.gz NMGQYAFRHMODCH-UHFFFAOYSA-N 0 3 238.291 0.479 20 0 BCADHN CC[C@@H](NC(=O)C1(N(C)C)CCC1)C(=O)OC ZINC000763066445 585442782 /nfs/dbraw/zinc/44/27/82/585442782.db2.gz DDKZPOADMOHIFN-SECBINFHSA-N 0 3 242.319 0.539 20 0 BCADHN CC(C)C[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC000763072481 585442785 /nfs/dbraw/zinc/44/27/85/585442785.db2.gz MUDIPYDINKZHGB-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN CCN(OC)C(=S)NC1CCN(C)CC1 ZINC000763371062 585447333 /nfs/dbraw/zinc/44/73/33/585447333.db2.gz YPHFIOUYZDKNMD-UHFFFAOYSA-N 0 3 231.365 0.838 20 0 BCADHN CCCN(CCO)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763659512 585451525 /nfs/dbraw/zinc/45/15/25/585451525.db2.gz HMVYYJRPQZLOQL-SNVBAGLBSA-N 0 3 227.304 0.786 20 0 BCADHN CC[C@]1(O)CCN(C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000763780357 585454076 /nfs/dbraw/zinc/45/40/76/585454076.db2.gz NHACJUMCQFVDQB-MFKMUULPSA-N 0 3 239.315 0.929 20 0 BCADHN O=C1O[C@H](CN2C[C@H]3C[C@@]3(CO)C2)CC12CC2 ZINC000763783815 585454354 /nfs/dbraw/zinc/45/43/54/585454354.db2.gz XERCNJRSKNAKAR-NRUUGDAUSA-N 0 3 237.299 0.396 20 0 BCADHN CN(CCN1CCCC1)[C@]1(CO)CCOC1 ZINC000763880468 585456059 /nfs/dbraw/zinc/45/60/59/585456059.db2.gz GDVRJQCKOKXSKL-LBPRGKRZSA-N 0 3 228.336 0.165 20 0 BCADHN C[C@@H]1CN(CCF)CC[C@@H]1N1CCN(C)CC1 ZINC000764466478 585465813 /nfs/dbraw/zinc/46/58/13/585465813.db2.gz KQFONEBYEBCKMI-OLZOCXBDSA-N 0 3 243.370 0.914 20 0 BCADHN CC(C)(C)[C@H](O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000764875281 585476730 /nfs/dbraw/zinc/47/67/30/585476730.db2.gz KDZVQEISXZQAPD-GXSJLCMTSA-N 0 3 240.347 0.746 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@H](O)C(C)(C)C)C1 ZINC000764976845 585478165 /nfs/dbraw/zinc/47/81/65/585478165.db2.gz FZMRLPPVJVPXAC-QWRGUYRKSA-N 0 3 242.363 0.946 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1C[C@H]1CC1(Cl)Cl ZINC000764982276 585478410 /nfs/dbraw/zinc/47/84/10/585478410.db2.gz UWFSCUMBBQVJGZ-CSMHCCOUSA-N 0 3 240.130 0.608 20 0 BCADHN CN1CCC[C@H]1CNC(=O)[C@H](O)C(C)(C)C ZINC000765044274 585480063 /nfs/dbraw/zinc/48/00/63/585480063.db2.gz VLKXIRNKCBWKRS-UWVGGRQHSA-N 0 3 228.336 0.604 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](CC)N(C)C)[nH]n1 ZINC000765517132 585488960 /nfs/dbraw/zinc/48/89/60/585488960.db2.gz WHFZFXCTSOPMGO-LLVKDONJSA-N 0 3 238.335 0.929 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](CC)N(C)C)n[nH]1 ZINC000765517132 585488961 /nfs/dbraw/zinc/48/89/61/585488961.db2.gz WHFZFXCTSOPMGO-LLVKDONJSA-N 0 3 238.335 0.929 20 0 BCADHN C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1cnn(C)c1 ZINC000766181683 585498817 /nfs/dbraw/zinc/49/88/17/585498817.db2.gz DGAKQKWLZJNATJ-BXKDBHETSA-N 0 3 249.318 0.538 20 0 BCADHN Cc1nc(C(=O)NC[C@H](C)N2CCCC2)no1 ZINC000766496829 585503199 /nfs/dbraw/zinc/50/31/99/585503199.db2.gz UTGQMNAEFJJGRH-QMMMGPOBSA-N 0 3 238.291 0.592 20 0 BCADHN C[C@H](CO)CN1CCCC[C@@H]1C1OCCO1 ZINC000766896561 585509676 /nfs/dbraw/zinc/50/96/76/585509676.db2.gz SQXSFWXAZBKNKD-WDEREUQCSA-N 0 3 229.320 0.842 20 0 BCADHN CCOC(=O)N1CCCN(C[C@H](C)CO)CC1 ZINC000766896154 585509686 /nfs/dbraw/zinc/50/96/86/585509686.db2.gz QLKDXRITQLYLPK-NSHDSACASA-N 0 3 244.335 0.779 20 0 BCADHN C[C@@H](CO)CN1CCCC[C@H]1C1OCCO1 ZINC000766896559 585510024 /nfs/dbraw/zinc/51/00/24/585510024.db2.gz SQXSFWXAZBKNKD-MNOVXSKESA-N 0 3 229.320 0.842 20 0 BCADHN O=C1NCCC[C@H]1N1CCC(c2nc[nH]n2)CC1 ZINC000766918180 585511505 /nfs/dbraw/zinc/51/15/05/585511505.db2.gz KHEXZRORSOVLSZ-SNVBAGLBSA-N 0 3 249.318 0.263 20 0 BCADHN C[C@H]1CCN(CCS(N)(=O)=O)C[C@H]1C ZINC000766984889 585512629 /nfs/dbraw/zinc/51/26/29/585512629.db2.gz PAOKRHCLJSYEED-DTWKUNHWSA-N 0 3 220.338 0.253 20 0 BCADHN COC(=O)[C@@H]1CCN(CCC(=O)C2CC2)C1 ZINC000767348955 585517153 /nfs/dbraw/zinc/51/71/53/585517153.db2.gz LOQOETUWBWFTTH-SNVBAGLBSA-N 0 3 225.288 0.851 20 0 BCADHN CNC(=O)[C@@H]1CCCN(CCC(=O)C2CC2)C1 ZINC000767375731 585518637 /nfs/dbraw/zinc/51/86/37/585518637.db2.gz PDNXHTOZTFYFCJ-LLVKDONJSA-N 0 3 238.331 0.814 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1CCC1OCCO1 ZINC000767823067 585526677 /nfs/dbraw/zinc/52/66/77/585526677.db2.gz QLHADTWAKKCQBS-WDEREUQCSA-N 0 3 228.336 0.774 20 0 BCADHN O=C(NCCNc1ccncc1)C1=CCCCO1 ZINC000767889773 585527530 /nfs/dbraw/zinc/52/75/30/585527530.db2.gz DVORTLZSEMWFJU-UHFFFAOYSA-N 0 3 247.298 0.726 20 0 BCADHN CNC(=S)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000768477704 585539168 /nfs/dbraw/zinc/53/91/68/585539168.db2.gz DBTLVGUJLWRICB-NXEZZACHSA-N 0 3 227.377 0.907 20 0 BCADHN CCN(CC)CCOC(=O)[C@@H]1CCOC1 ZINC000768508322 585539306 /nfs/dbraw/zinc/53/93/06/585539306.db2.gz IQWKUTATKPWGQL-SNVBAGLBSA-N 0 3 215.293 0.908 20 0 BCADHN CN(C)C1(C(=O)NCc2cccnn2)CCC1 ZINC000768581210 585540584 /nfs/dbraw/zinc/54/05/84/585540584.db2.gz NSLOPBVLXBKFTJ-UHFFFAOYSA-N 0 3 234.303 0.577 20 0 BCADHN C[C@@H](Cn1cccn1)NC[C@H](O)c1cnn(C)c1 ZINC000768698510 585542031 /nfs/dbraw/zinc/54/20/31/585542031.db2.gz SKIPOSSTSNXVFP-JQWIXIFHSA-N 0 3 249.318 0.328 20 0 BCADHN CC[C@H](C)N(OC)C(=O)C(C)S(C)(=O)=O ZINC000768895208 585545387 /nfs/dbraw/zinc/54/53/87/585545387.db2.gz IWXPQEYFKBEYDJ-YUMQZZPRSA-N 0 3 237.321 0.608 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCN(C)[C@@H](C)C1)N(C)C ZINC000769144825 585549976 /nfs/dbraw/zinc/54/99/76/585549976.db2.gz YBUJIBXACOOAIE-RYUDHWBXSA-N 0 3 241.379 0.735 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H]1COC(C)(C)O1 ZINC000769216991 585551314 /nfs/dbraw/zinc/55/13/14/585551314.db2.gz XGEFKRVANICZSL-JTQLQIEISA-N 0 3 244.335 0.594 20 0 BCADHN C[C@H]1CCOCCN1CCc1cn(C)nn1 ZINC000859236260 589023382 /nfs/dbraw/zinc/02/33/82/589023382.db2.gz DJIZTGJOGRWCRC-JTQLQIEISA-N 0 3 224.308 0.468 20 0 BCADHN CCN(CCO)CCNC(=O)C[C@H](C)C1CC1 ZINC000769635497 585560968 /nfs/dbraw/zinc/56/09/68/585560968.db2.gz MGXPOEBFXMEOKW-NSHDSACASA-N 0 3 242.363 0.853 20 0 BCADHN CNC(=S)N[C@@H](C)CCN1CCN(C)CC1 ZINC000769759579 585562935 /nfs/dbraw/zinc/56/29/35/585562935.db2.gz GKUPBWBGDOIQSW-JTQLQIEISA-N 0 3 244.408 0.106 20 0 BCADHN CNC(=S)N[C@H](C)CCN1CCN(C)CC1 ZINC000769759600 585563112 /nfs/dbraw/zinc/56/31/12/585563112.db2.gz GKUPBWBGDOIQSW-SNVBAGLBSA-N 0 3 244.408 0.106 20 0 BCADHN CCN(C)C(=O)CCNC1(C(N)=O)CCCC1 ZINC000770172929 585571311 /nfs/dbraw/zinc/57/13/11/585571311.db2.gz USWPJIIPIYAFHL-UHFFFAOYSA-N 0 3 241.335 0.243 20 0 BCADHN C[C@@H]1CCOCCN1C[C@H](O)CC1(O)CCC1 ZINC000859237426 589023513 /nfs/dbraw/zinc/02/35/13/589023513.db2.gz UHWQJHQABDMDPT-VXGBXAGGSA-N 0 3 243.347 0.763 20 0 BCADHN CN(C)C1(C(=O)N[C@H](CO)CC2CC2)CCC1 ZINC000770986061 585586107 /nfs/dbraw/zinc/58/61/07/585586107.db2.gz MAYNCEXQTVWGLA-NSHDSACASA-N 0 3 240.347 0.748 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N[C@@H](CO)C1CC1 ZINC000771017111 585587429 /nfs/dbraw/zinc/58/74/29/585587429.db2.gz DAFKVQMZBULDHF-RYUDHWBXSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](CO)C1CC1 ZINC000771023692 585587565 /nfs/dbraw/zinc/58/75/65/585587565.db2.gz BREQEUGWCNSXCA-UMNHJUIQSA-N 0 3 240.347 0.746 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H](CO)C1CC1)N(C)C ZINC000771034900 585587990 /nfs/dbraw/zinc/58/79/90/585587990.db2.gz PEBQOHYAHSDGMD-QWRGUYRKSA-N 0 3 228.336 0.460 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](CO)C1CC1 ZINC000771041971 585588333 /nfs/dbraw/zinc/58/83/33/585588333.db2.gz ZQCRVXDWTOITJV-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C[C@@H]1CCCOC1 ZINC000805426193 585591963 /nfs/dbraw/zinc/59/19/63/585591963.db2.gz KXJFPISEBIDZLU-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H]1[C@@H](C)N(CCN2CCOC2=O)CCN1C ZINC000771466684 585594782 /nfs/dbraw/zinc/59/47/82/585594782.db2.gz LKBLPXQYCHUVLG-GHMZBOCLSA-N 0 3 241.335 0.463 20 0 BCADHN CCOCCN(C)C(=S)NCCN(C)C ZINC000771542877 585595701 /nfs/dbraw/zinc/59/57/01/585595701.db2.gz PIMLJYNWKTUOJI-UHFFFAOYSA-N 0 3 233.381 0.391 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)[C@H](O)C(C)(C)C ZINC000771575043 585596930 /nfs/dbraw/zinc/59/69/30/585596930.db2.gz VXUWTQOISYKIBR-NSHDSACASA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)CC2COC2)C1 ZINC000771610886 585597822 /nfs/dbraw/zinc/59/78/22/585597822.db2.gz NCZHVIMWDXOMEM-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN COC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000771662453 585598699 /nfs/dbraw/zinc/59/86/99/585598699.db2.gz AGRROKSOCYAAQF-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN CCCC(=O)NCC(=O)OCCN(CC)CC ZINC000771991825 585606408 /nfs/dbraw/zinc/60/64/08/585606408.db2.gz ITQJWBONXZPVTI-UHFFFAOYSA-N 0 3 244.335 0.788 20 0 BCADHN CCN(CC)CCOC(=O)C1(C(=O)NC)CC1 ZINC000772089022 585608197 /nfs/dbraw/zinc/60/81/97/585608197.db2.gz FAWCVZBEKYIUIM-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN CCN(CC)CCOC(=O)c1cnn(C)c1N ZINC000772169875 585609410 /nfs/dbraw/zinc/60/94/10/585609410.db2.gz LYTOIOGWSXOIOO-UHFFFAOYSA-N 0 3 240.307 0.501 20 0 BCADHN CCN(CC)CCOC(=O)C[C@@H]1COC(=O)C1 ZINC000772189602 585609635 /nfs/dbraw/zinc/60/96/35/585609635.db2.gz AFWXHDLPQAPPNV-JTQLQIEISA-N 0 3 243.303 0.825 20 0 BCADHN Cc1cccc(COC(=O)C2CCN(C)C2=O)n1 ZINC000772510209 585616954 /nfs/dbraw/zinc/61/69/54/585616954.db2.gz KTLNDXRPDWUFNG-NSHDSACASA-N 0 3 248.282 0.912 20 0 BCADHN CCC(=O)[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000772518515 585617376 /nfs/dbraw/zinc/61/73/76/585617376.db2.gz LSJBNFMODAQGRP-HTQZYQBOSA-N 0 3 227.260 0.376 20 0 BCADHN Cc1cc(COC(=O)C2CCN(C)C2=O)no1 ZINC000772530087 585617808 /nfs/dbraw/zinc/61/78/08/585617808.db2.gz HYNCVSUSRZMHIR-VIFPVBQESA-N 0 3 238.243 0.505 20 0 BCADHN Cc1ccnc(COC(=O)C2CCN(C)C2=O)n1 ZINC000772528495 585617825 /nfs/dbraw/zinc/61/78/25/585617825.db2.gz SBOHSNFWDQKKTK-VIFPVBQESA-N 0 3 249.270 0.307 20 0 BCADHN C[N@@H+]1CC[C@H](C(=O)[N-]OC2CCOCC2)C1 ZINC000772711734 585621915 /nfs/dbraw/zinc/62/19/15/585621915.db2.gz SMFLCKTXFMQISY-VIFPVBQESA-N 0 3 228.292 0.165 20 0 BCADHN C[N@H+]1CC[C@H](C(=O)[N-]OC2CCOCC2)C1 ZINC000772711734 585621916 /nfs/dbraw/zinc/62/19/16/585621916.db2.gz SMFLCKTXFMQISY-VIFPVBQESA-N 0 3 228.292 0.165 20 0 BCADHN Cc1nccn1C[C@H](C)CNC(=O)c1ncn[nH]1 ZINC000773281427 585634684 /nfs/dbraw/zinc/63/46/84/585634684.db2.gz CSZNUWKMAURKCW-MRVPVSSYSA-N 0 3 248.290 0.376 20 0 BCADHN Cc1nccn1C[C@H](C)CNC(=O)c1nc[nH]n1 ZINC000773281427 585634685 /nfs/dbraw/zinc/63/46/85/585634685.db2.gz CSZNUWKMAURKCW-MRVPVSSYSA-N 0 3 248.290 0.376 20 0 BCADHN c1[nH]nc2c1CN(CCC1OCCCO1)CC2 ZINC000773506390 585638652 /nfs/dbraw/zinc/63/86/52/585638652.db2.gz ONYBQPNXVNEYCL-UHFFFAOYSA-N 0 3 237.303 0.921 20 0 BCADHN CC(C)(C)CNC(=O)CN[C@H](CO)C1CC1 ZINC000859250390 589024013 /nfs/dbraw/zinc/02/40/13/589024013.db2.gz JJPAPRPGDFGFPN-SNVBAGLBSA-N 0 3 228.336 0.509 20 0 BCADHN CCOCCCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000773543880 585640198 /nfs/dbraw/zinc/64/01/98/585640198.db2.gz WJLUWTNTAKOIFU-UHFFFAOYSA-N 0 3 244.335 0.945 20 0 BCADHN Cn1cc(C(=O)NOC2CCN(C)CC2)cn1 ZINC000773544599 585640294 /nfs/dbraw/zinc/64/02/94/585640294.db2.gz CRXHMUXRNVBCRX-UHFFFAOYSA-N 0 3 238.291 0.176 20 0 BCADHN CSCCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000773550729 585640354 /nfs/dbraw/zinc/64/03/54/585640354.db2.gz DQYAYUBSAADMPM-UHFFFAOYSA-N 0 3 232.349 0.882 20 0 BCADHN COCCCCOC(=O)C1CCN(C)C1=O ZINC000774002198 585648058 /nfs/dbraw/zinc/64/80/58/585648058.db2.gz LLOFIFIWTBUHHA-VIFPVBQESA-N 0 3 229.276 0.435 20 0 BCADHN COC[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000774088326 585650056 /nfs/dbraw/zinc/65/00/56/585650056.db2.gz ZXEIHTBCCDNPJE-HTQZYQBOSA-N 0 3 215.249 0.043 20 0 BCADHN CO[C@H](C)CCOC(=O)C1CCN(C)C1=O ZINC000774115835 585650058 /nfs/dbraw/zinc/65/00/58/585650058.db2.gz SOGBJLMYEHZWCW-RKDXNWHRSA-N 0 3 229.276 0.433 20 0 BCADHN CN1CCC(C(=O)OC2(C3CC3)CC2)C1=O ZINC000774127447 585651075 /nfs/dbraw/zinc/65/10/75/585651075.db2.gz VLTNBBIMURXLLU-SECBINFHSA-N 0 3 223.272 0.951 20 0 BCADHN C[C@@H](NCCn1ccccc1=O)c1ccnn1C ZINC000774143017 585651780 /nfs/dbraw/zinc/65/17/80/585651780.db2.gz QBDXSYWKAIRULN-LLVKDONJSA-N 0 3 246.314 0.933 20 0 BCADHN CCc1cc(CNC2CCN(C=O)CC2)[nH]n1 ZINC000774186752 585653141 /nfs/dbraw/zinc/65/31/41/585653141.db2.gz CMDRFWDHPBEJEB-UHFFFAOYSA-N 0 3 236.319 0.683 20 0 BCADHN COC[C@@H](OC(=O)C1CCN(C)C1=O)C1CC1 ZINC000774223684 585654501 /nfs/dbraw/zinc/65/45/01/585654501.db2.gz ASWFPLYHFVNIQD-VHSXEESVSA-N 0 3 241.287 0.433 20 0 BCADHN O=CN1CCC(N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000774257837 585655086 /nfs/dbraw/zinc/65/50/86/585655086.db2.gz PBKQMNCAQHWMGS-LBPRGKRZSA-N 0 3 248.330 0.998 20 0 BCADHN CN(C)Cc1ccc(NC(=O)CO)cc1 ZINC000774349628 585656703 /nfs/dbraw/zinc/65/67/03/585656703.db2.gz LTGOHPGVZMIDMG-UHFFFAOYSA-N 0 3 208.261 0.679 20 0 BCADHN CON(C)C(=O)CN1CCC[C@@H]2COCC[C@@H]21 ZINC000774659209 585662945 /nfs/dbraw/zinc/66/29/45/585662945.db2.gz HFUMSFUYQJXHGK-MNOVXSKESA-N 0 3 242.319 0.507 20 0 BCADHN C[C@H](CN1CCOCC1)N1CCN(C)[C@@H](C)C1 ZINC000774736586 585664653 /nfs/dbraw/zinc/66/46/53/585664653.db2.gz FYHTZPUICUUYAF-QWHCGFSZSA-N 0 3 241.379 0.343 20 0 BCADHN CCN1C[C@@H](C)N(CC(=O)N(C)OC)C[C@H]1C ZINC000774762312 585665419 /nfs/dbraw/zinc/66/54/19/585665419.db2.gz DQBTXAFVEHEKQC-GHMZBOCLSA-N 0 3 243.351 0.421 20 0 BCADHN CON(C)C(=O)CN1CC[C@H](C)[C@H](C)C1 ZINC000774765735 585665753 /nfs/dbraw/zinc/66/57/53/585665753.db2.gz ANCIVGAWLACIJM-VHSXEESVSA-N 0 3 214.309 0.984 20 0 BCADHN C=Cn1cc(CNC[C@H](O)c2cnn(C)c2)cn1 ZINC000775004315 585670368 /nfs/dbraw/zinc/67/03/68/585670368.db2.gz BSRZACQRINRHRN-LBPRGKRZSA-N 0 3 247.302 0.540 20 0 BCADHN Cc1n[n-]nc1C(=O)OCCC[NH+](C)C ZINC000805545876 585678789 /nfs/dbraw/zinc/67/87/89/585678789.db2.gz GIRKMLWRIHUTGJ-UHFFFAOYSA-N 0 3 212.253 0.222 20 0 BCADHN CCOC[C@H](O)CN1CCOCC[C@@H]1C ZINC000775569262 585680262 /nfs/dbraw/zinc/68/02/62/585680262.db2.gz CHWLAHYPXVTKTF-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN CC[C@H](CO)NC(=O)C1(N(C)C)CCC1 ZINC000775873822 585687072 /nfs/dbraw/zinc/68/70/72/585687072.db2.gz PWYPPOLBQQBJPZ-SECBINFHSA-N 0 3 214.309 0.358 20 0 BCADHN CON(C)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000776005231 585689089 /nfs/dbraw/zinc/68/90/89/585689089.db2.gz JZHWVZRTSMUFFR-UHFFFAOYSA-N 0 3 241.295 0.470 20 0 BCADHN CC[C@H]1CCCN1CN1CC(=O)N(C)C1=O ZINC000776201765 585692880 /nfs/dbraw/zinc/69/28/80/585692880.db2.gz DTZLNXDCGSUUHY-VIFPVBQESA-N 0 3 225.292 0.712 20 0 BCADHN CC(C)[C@H]1CCN(CN2CC(=O)N(C)C2=O)C1 ZINC000776202653 585692898 /nfs/dbraw/zinc/69/28/98/585692898.db2.gz VNPHMNPHQSZTAG-JTQLQIEISA-N 0 3 239.319 0.816 20 0 BCADHN CN1C(=O)CN(CN2CC[C@H](C3CC3)C2)C1=O ZINC000776201379 585692991 /nfs/dbraw/zinc/69/29/91/585692991.db2.gz JBGPIDIQYNIBOS-JTQLQIEISA-N 0 3 237.303 0.570 20 0 BCADHN CN(C)CCNC(=S)N1CCC(F)(F)C1 ZINC000776268792 585694117 /nfs/dbraw/zinc/69/41/17/585694117.db2.gz VEAWIANLKNZPQV-UHFFFAOYSA-N 0 3 237.319 0.764 20 0 BCADHN c1nncn1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000776762213 585704514 /nfs/dbraw/zinc/70/45/14/585704514.db2.gz KFLRDGUQUJYARQ-WDEREUQCSA-N 0 3 222.292 0.594 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1Cn1cnnc1 ZINC000776760578 585704667 /nfs/dbraw/zinc/70/46/67/585704667.db2.gz UFLVJTRLMUWTFA-NSHDSACASA-N 0 3 223.324 0.508 20 0 BCADHN COCC1(C)CCN(Cn2cnnc2)CC1 ZINC000776763701 585705289 /nfs/dbraw/zinc/70/52/89/585705289.db2.gz NXCKZUOYZAPKBT-UHFFFAOYSA-N 0 3 224.308 0.984 20 0 BCADHN CCN(CC1OCCO1)C[C@@H]1CCOC1 ZINC000777557118 585715354 /nfs/dbraw/zinc/71/53/54/585715354.db2.gz FDHGGEAOOAIASM-JTQLQIEISA-N 0 3 215.293 0.718 20 0 BCADHN OC1C[C@H]2CC[C@@H](C1)N2CC1OCCO1 ZINC000777580835 585715853 /nfs/dbraw/zinc/71/58/53/585715853.db2.gz HTKBPJQSKQLECH-ULKQDVFKSA-N 0 3 213.277 0.347 20 0 BCADHN C(C1OCCO1)N1CC[C@@H](N2CCCCC2)C1 ZINC000777583270 585715867 /nfs/dbraw/zinc/71/58/67/585715867.db2.gz QLTOGVPGDDQBGM-GFCCVEGCSA-N 0 3 240.347 0.920 20 0 BCADHN CN1CCC[C@@H](N2C(=O)NC(C)(C)C2=O)C1 ZINC000777621448 585717220 /nfs/dbraw/zinc/71/72/20/585717220.db2.gz YUHLXARCPMPAFT-MRVPVSSYSA-N 0 3 225.292 0.411 20 0 BCADHN O=C1[C@H]2CCCN2C(=O)N1[C@@H]1CCN(C2CC2)C1 ZINC000777625125 585717537 /nfs/dbraw/zinc/71/75/37/585717537.db2.gz GCQCVTXNPVWZPR-GHMZBOCLSA-N 0 3 249.314 0.650 20 0 BCADHN C[C@@H](O)[C@@H]1CCCN(CC2OCCO2)C1 ZINC000777709913 585718455 /nfs/dbraw/zinc/71/84/55/585718455.db2.gz SOGIIGPCJNVPJZ-NXEZZACHSA-N 0 3 215.293 0.452 20 0 BCADHN C[C@H](C1CC1)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000777700743 585718458 /nfs/dbraw/zinc/71/84/58/585718458.db2.gz DNBWBHIKJHTXJX-MWLCHTKSSA-N 0 3 246.376 0.799 20 0 BCADHN CN(C)C(=O)NCCN(C)CCCCCCO ZINC000777715521 585719067 /nfs/dbraw/zinc/71/90/67/585719067.db2.gz DRTJNJNMANQREF-UHFFFAOYSA-N 0 3 245.367 0.742 20 0 BCADHN CN(C)Cc1cccc(C(=O)Nn2cnnc2)c1 ZINC000777820159 585720526 /nfs/dbraw/zinc/72/05/26/585720526.db2.gz VDMFLCARPGCATN-UHFFFAOYSA-N 0 3 245.286 0.724 20 0 BCADHN CO[C@@H](C)CC(=O)NCCOCCN(C)C ZINC000777838525 585720939 /nfs/dbraw/zinc/72/09/39/585720939.db2.gz RGMKXDDOEROMSP-JTQLQIEISA-N 0 3 232.324 0.106 20 0 BCADHN Cn1cc([C@H](CO)NCCCCCCO)cn1 ZINC000778139496 585726221 /nfs/dbraw/zinc/72/62/21/585726221.db2.gz YVEXRYJFPQRCGW-LBPRGKRZSA-N 0 3 241.335 0.596 20 0 BCADHN Fc1ccc(CNCCN2CCOCC2)cn1 ZINC000778152887 585726317 /nfs/dbraw/zinc/72/63/17/585726317.db2.gz ZLJINVMMRZAWGE-UHFFFAOYSA-N 0 3 239.294 0.643 20 0 BCADHN C[C@@H](Cn1cncn1)NCc1ccc(F)nc1 ZINC000778164388 585726677 /nfs/dbraw/zinc/72/66/77/585726677.db2.gz LIXNHVBYTKZJGR-VIFPVBQESA-N 0 3 235.266 0.991 20 0 BCADHN O=C1OCC[C@@]12CCCN2C[C@@H]1CCOC1 ZINC000778243537 585729351 /nfs/dbraw/zinc/72/93/51/585729351.db2.gz SOIQLYWSUAKYAX-JQWIXIFHSA-N 0 3 225.288 0.804 20 0 BCADHN C[C@H]1CC[C@](CO)(N(C)CC2OCCO2)C1 ZINC000778427879 585734709 /nfs/dbraw/zinc/73/47/09/585734709.db2.gz OYMJUBFIOCPACS-JQWIXIFHSA-N 0 3 229.320 0.842 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)N[C@@H](CO)C1CC1 ZINC000778695077 585739370 /nfs/dbraw/zinc/73/93/70/585739370.db2.gz HEBJJGLUEFJQAV-MNOVXSKESA-N 0 3 241.335 0.151 20 0 BCADHN C[C@H]1COCCN([C@H]2CCCN(C)C2=O)C1 ZINC000778949944 585742882 /nfs/dbraw/zinc/74/28/82/585742882.db2.gz FAATXFNGFRMPDM-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H](CCO)NCc1ccc(-n2cncn2)nc1 ZINC000779386541 585753108 /nfs/dbraw/zinc/75/31/08/585753108.db2.gz BFGIPDOAEPQPKY-JTQLQIEISA-N 0 3 247.302 0.523 20 0 BCADHN CCc1nc([C@@H](C)N[C@H](C)CCO)n[nH]1 ZINC000779418130 585754303 /nfs/dbraw/zinc/75/43/03/585754303.db2.gz RYJFEWAXBPREHE-HTQZYQBOSA-N 0 3 212.297 0.789 20 0 BCADHN CC[C@H](CO)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000779640850 585757918 /nfs/dbraw/zinc/75/79/18/585757918.db2.gz GCSWOHYSBBIGII-AXFHLTTASA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@@H](CO)C(=O)NCCN1CCCC1 ZINC000779729911 585760143 /nfs/dbraw/zinc/76/01/43/585760143.db2.gz AKSWXAAFTBTISV-JTQLQIEISA-N 0 3 214.309 0.217 20 0 BCADHN CC[C@H](CO)C(=O)N[C@H](C)CN1CCCCC1 ZINC000779738943 585760291 /nfs/dbraw/zinc/76/02/91/585760291.db2.gz GWVDNMUGISPQSL-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](CO)C(=O)NCCN1CCCC[C@H]1C ZINC000779738884 585760384 /nfs/dbraw/zinc/76/03/84/585760384.db2.gz ZBSFOOURQJRVDS-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CC(=O)OC(C)(C)C(=O)NCCN(C)C1CC1 ZINC000779747824 585760712 /nfs/dbraw/zinc/76/07/12/585760712.db2.gz DFLGCRHCSUCHJU-UHFFFAOYSA-N 0 3 242.319 0.539 20 0 BCADHN CCCCN(C)CCNC(=O)[C@@H](CC)CO ZINC000779776141 585761340 /nfs/dbraw/zinc/76/13/40/585761340.db2.gz MWLISTHCULEUQG-NSHDSACASA-N 0 3 230.352 0.853 20 0 BCADHN CC[C@@H](CO)C(=O)N(C)CCN1CCCC1 ZINC000779766557 585761491 /nfs/dbraw/zinc/76/14/91/585761491.db2.gz YVGGRCPMDNXJIF-NSHDSACASA-N 0 3 228.336 0.559 20 0 BCADHN CC[C@H](CO)C(=O)NC[C@H]1CCCCN1CC ZINC000779777542 585762370 /nfs/dbraw/zinc/76/23/70/585762370.db2.gz IEUGSACQYIQQNN-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)[C@@H](CC)CO ZINC000779777897 585762411 /nfs/dbraw/zinc/76/24/11/585762411.db2.gz JBVOAKNSDVPZKW-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](CO)C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000779836615 585768358 /nfs/dbraw/zinc/76/83/58/585768358.db2.gz DVTGIZBPCFQQHY-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](O)[C@H]1CCN(CC2OCCO2)C1 ZINC000780358932 585778349 /nfs/dbraw/zinc/77/83/49/585778349.db2.gz OWHMPCWOTDNSKX-BDAKNGLRSA-N 0 3 201.266 0.062 20 0 BCADHN COC(CN(C)[C@H]1CCN(C2CC2)C1)OC ZINC000781887200 585804698 /nfs/dbraw/zinc/80/46/98/585804698.db2.gz YTZPKJOOFJFQDE-NSHDSACASA-N 0 3 228.336 0.774 20 0 BCADHN COC(CN1CC[C@@H](n2cncn2)C1)OC ZINC000781919258 585805465 /nfs/dbraw/zinc/80/54/65/585805465.db2.gz LMKNKYXOFUEDAZ-SECBINFHSA-N 0 3 226.280 0.144 20 0 BCADHN O=C1NCC2(CCN(C[C@H]3CCCO3)CC2)O1 ZINC000781996992 585806420 /nfs/dbraw/zinc/80/64/20/585806420.db2.gz OSWAFLCRJBMKRM-SNVBAGLBSA-N 0 3 240.303 0.740 20 0 BCADHN CN(C)c1cc(CN2CC[C@H](CO)C2)ccn1 ZINC000782176649 585809767 /nfs/dbraw/zinc/80/97/67/585809767.db2.gz PICIQIOWSGPRFU-LBPRGKRZSA-N 0 3 235.331 0.962 20 0 BCADHN CNS(=O)(=O)C1CCN([C@@H](C)C2CC2)CC1 ZINC000782180870 585809970 /nfs/dbraw/zinc/80/99/70/585809970.db2.gz CSQQAFDQLRNFOY-VIFPVBQESA-N 0 3 246.376 0.799 20 0 BCADHN C[C@H](O)CN1CCN([C@@H](C)C2CC2)CC1 ZINC000782182702 585810846 /nfs/dbraw/zinc/81/08/46/585810846.db2.gz FNWQWECICLIKAB-QWRGUYRKSA-N 0 3 212.337 0.783 20 0 BCADHN CCNS(=O)(=O)[C@H]1CCN([C@H](C)C2CC2)C1 ZINC000782188292 585811056 /nfs/dbraw/zinc/81/10/56/585811056.db2.gz BTANARHRXCNIQR-KOLCDFICSA-N 0 3 246.376 0.799 20 0 BCADHN C[C@@H](C1CC1)N1CCN2C(=O)OC[C@H]2C1 ZINC000782188866 585811222 /nfs/dbraw/zinc/81/12/22/585811222.db2.gz QRTZBGQQUGFGRN-WCBMZHEXSA-N 0 3 210.277 0.921 20 0 BCADHN OCCCC1CCN(CC2OCCO2)CC1 ZINC000782542560 585819794 /nfs/dbraw/zinc/81/97/94/585819794.db2.gz NYDDDCQYXMWKEI-UHFFFAOYSA-N 0 3 229.320 0.844 20 0 BCADHN Cn1cc(CCN2C[C@H]3C[C@@]3(CO)C2)cn1 ZINC000782613683 585822258 /nfs/dbraw/zinc/82/22/58/585822258.db2.gz BNZXNORPJGRWTC-NEPJUHHUSA-N 0 3 221.304 0.277 20 0 BCADHN OC[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 ZINC000782619847 585822763 /nfs/dbraw/zinc/82/27/63/585822763.db2.gz SCYCCKAXUPKOII-QWHCGFSZSA-N 0 3 240.347 0.023 20 0 BCADHN OC[C@]12C[C@H]1CN(CCc1cccnc1)C2 ZINC000782630923 585823443 /nfs/dbraw/zinc/82/34/43/585823443.db2.gz ZFBGTFFEZCVUFK-QWHCGFSZSA-N 0 3 218.300 0.938 20 0 BCADHN CCOC(=O)CCN1C[C@@H]2C[C@]2(CO)C1 ZINC000782637059 585823848 /nfs/dbraw/zinc/82/38/48/585823848.db2.gz ZPPJILHVZSRZOB-GXSJLCMTSA-N 0 3 213.277 0.254 20 0 BCADHN NC(=O)c1ccc(CN2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782637155 585823879 /nfs/dbraw/zinc/82/38/79/585823879.db2.gz ZWRUTCKAQXSZHS-OCCSQVGLSA-N 0 3 246.310 0.600 20 0 BCADHN CC(C)(C)OC1CC(N2C[C@@H](O)[C@@H](O)C2)C1 ZINC000783652410 585839344 /nfs/dbraw/zinc/83/93/44/585839344.db2.gz VLIAXIHBVNQRDI-HWACXVBKSA-N 0 3 229.320 0.370 20 0 BCADHN CC[C@@]1(CO)CCCN1CC(=O)N(C)OC ZINC000784388650 585856193 /nfs/dbraw/zinc/85/61/93/585856193.db2.gz KNVKBPCEQLMVFM-NSHDSACASA-N 0 3 230.308 0.243 20 0 BCADHN C[C@H]1CN(CCS(N)(=O)=O)CC(C)(C)C1 ZINC000784349571 585856700 /nfs/dbraw/zinc/85/67/00/585856700.db2.gz GKWYICCIBZRAKN-SECBINFHSA-N 0 3 234.365 0.643 20 0 BCADHN COC[C@H]1CN(CCN2CCCC2)C[C@H](C)O1 ZINC000784370634 585857585 /nfs/dbraw/zinc/85/75/85/585857585.db2.gz ZGKNGAFMZBZHTP-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN CO[C@@H](C)CNC(=S)NC1CCN(C)CC1 ZINC000785481991 585874454 /nfs/dbraw/zinc/87/44/54/585874454.db2.gz VVTJKIHEHWLGAD-VIFPVBQESA-N 0 3 245.392 0.580 20 0 BCADHN Cc1nc(F)ccc1CNCC1(CO)COC1 ZINC000785497373 585874637 /nfs/dbraw/zinc/87/46/37/585874637.db2.gz SIHYPTWMXVBUEV-UHFFFAOYSA-N 0 3 240.278 0.628 20 0 BCADHN COC(=O)/C(C)=C/CN(C[C@H](C)O)[C@@H](C)CO ZINC000785536204 585875312 /nfs/dbraw/zinc/87/53/12/585875312.db2.gz CRSSZCHCNHNUOH-VREQRIBMSA-N 0 3 245.319 0.169 20 0 BCADHN Cn1ncc(C(=O)N2CC[C@@H](N3CCCC3)C2)n1 ZINC000786065111 585886634 /nfs/dbraw/zinc/88/66/34/585886634.db2.gz IAKTXAFQRDJUCR-SNVBAGLBSA-N 0 3 249.318 0.125 20 0 BCADHN CCN(CC)CCOC(=O)[C@H]1CCC(=O)N1C ZINC000786173578 585888223 /nfs/dbraw/zinc/88/82/23/585888223.db2.gz KLECEWLPEBUNNT-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000786174454 585888263 /nfs/dbraw/zinc/88/82/63/585888263.db2.gz QTXUIHMXPKLEBD-WRWGMCAJSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@H](OC(=O)C1CCN(C)C1=O)C(F)F ZINC000786503175 585892918 /nfs/dbraw/zinc/89/29/18/585892918.db2.gz MPFHFOIEWPCNIJ-WDSKDSINSA-N 0 3 221.203 0.662 20 0 BCADHN CN(C)C1(C(=O)N2CCc3n[nH]nc3C2)CCC1 ZINC000787080555 585900851 /nfs/dbraw/zinc/90/08/51/585900851.db2.gz VUQNYTMAARVYCG-UHFFFAOYSA-N 0 3 249.318 0.174 20 0 BCADHN CNC(=O)OC[C@H]1CCCCN1C[C@@H](C)CO ZINC000805828718 585903359 /nfs/dbraw/zinc/90/33/59/585903359.db2.gz PLPNTMYMXZOAMF-GHMZBOCLSA-N 0 3 244.335 0.825 20 0 BCADHN CO[C@@H]1CC(=O)N(CN2C[C@@H](C)C[C@@H]2C)C1 ZINC000787231836 585903490 /nfs/dbraw/zinc/90/34/90/585903490.db2.gz VZNKBLULVDNVDC-GARJFASQSA-N 0 3 226.320 0.922 20 0 BCADHN CO[C@@H]1CC(=O)N(CN2C[C@H](C)C[C@H]2C)C1 ZINC000787231837 585903533 /nfs/dbraw/zinc/90/35/33/585903533.db2.gz VZNKBLULVDNVDC-GMTAPVOTSA-N 0 3 226.320 0.922 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)C(F)F)C1 ZINC000787403736 585908828 /nfs/dbraw/zinc/90/88/28/585908828.db2.gz HOFUEXOGGOSDNQ-SSDOTTSWSA-N 0 3 206.236 0.710 20 0 BCADHN COC(=O)[C@H]1CCN(Cc2cn[nH]c2)[C@@H]1C ZINC000787421142 585909246 /nfs/dbraw/zinc/90/92/46/585909246.db2.gz NUQKENZQLXYDRA-SCZZXKLOSA-N 0 3 223.276 0.793 20 0 BCADHN CC1(C)OCC(CO)(NC[C@@H]2CCOC2)CO1 ZINC000787665186 585913833 /nfs/dbraw/zinc/91/38/33/585913833.db2.gz WMPYNWIAVBHVFL-JTQLQIEISA-N 0 3 245.319 0.127 20 0 BCADHN COCCCCNC1(CO)COC(C)(C)OC1 ZINC000788001095 585918566 /nfs/dbraw/zinc/91/85/66/585918566.db2.gz YVHJVBNKKBNOOE-UHFFFAOYSA-N 0 3 247.335 0.517 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)CC2OCCO2)C1 ZINC000788654696 585928413 /nfs/dbraw/zinc/92/84/13/585928413.db2.gz BXGXPPYQDPWBBF-SNVBAGLBSA-N 0 3 242.319 0.302 20 0 BCADHN C[C@H](NCCNC(=O)C1CC1)c1cc[nH]c(=O)c1 ZINC000788643991 585928416 /nfs/dbraw/zinc/92/84/16/585928416.db2.gz RAHVKQFHLGTKNE-VIFPVBQESA-N 0 3 249.314 0.964 20 0 BCADHN Cn1cnc(CNC[C@@H](CO)Cc2ccco2)c1 ZINC000808395837 585942969 /nfs/dbraw/zinc/94/29/69/585942969.db2.gz HJHUGSJCKWCGKZ-NSHDSACASA-N 0 3 249.314 0.954 20 0 BCADHN Cc1nc(COC(=O)[C@H](C(C)C)N(C)C)n[nH]1 ZINC000789804795 585950890 /nfs/dbraw/zinc/95/08/90/585950890.db2.gz VMOVIPWITHBYMZ-JTQLQIEISA-N 0 3 240.307 0.743 20 0 BCADHN CC[C@H](C(=O)Nc1cn[nH]n1)N(CC)CC ZINC000789927655 585953786 /nfs/dbraw/zinc/95/37/86/585953786.db2.gz FCEAXOXATZRCIT-MRVPVSSYSA-N 0 3 225.296 0.864 20 0 BCADHN CC[C@H](C(=O)Nc1c[nH]nn1)N(CC)CC ZINC000789927655 585953787 /nfs/dbraw/zinc/95/37/87/585953787.db2.gz FCEAXOXATZRCIT-MRVPVSSYSA-N 0 3 225.296 0.864 20 0 BCADHN Cc1nn[nH]c1C(=O)NC[C@H](C)N1CCCC1 ZINC000789936341 585954038 /nfs/dbraw/zinc/95/40/38/585954038.db2.gz VKEISIDCEJOPCO-QMMMGPOBSA-N 0 3 237.307 0.327 20 0 BCADHN Cc1nn[nH]c1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000789937485 585954336 /nfs/dbraw/zinc/95/43/36/585954336.db2.gz CQJDFSCKSDXPEZ-JTQLQIEISA-N 0 3 249.318 0.327 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCCN1CC1OCCO1 ZINC000790435760 585964583 /nfs/dbraw/zinc/96/45/83/585964583.db2.gz DAIHTHAXIREXPU-MNOVXSKESA-N 0 3 229.320 0.985 20 0 BCADHN CC1(C)CN(CC[C@@H]2CCOC2=O)C[C@H]1O ZINC000790448765 585964842 /nfs/dbraw/zinc/96/48/42/585964842.db2.gz ZPRQWPNZLQXOBD-NXEZZACHSA-N 0 3 227.304 0.642 20 0 BCADHN CC(C)=CC(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000791253714 585975428 /nfs/dbraw/zinc/97/54/28/585975428.db2.gz HJNSUWWMVZQROA-CYBMUJFWSA-N 0 3 240.347 0.868 20 0 BCADHN COC/C=C/C(=O)N1CCN(CC(C)C)CC1 ZINC000791302285 585976409 /nfs/dbraw/zinc/97/64/09/585976409.db2.gz VVPSFLXCRRUOAX-SNAWJCMRSA-N 0 3 240.347 0.989 20 0 BCADHN COC/C=C\C(=O)NC1CCN(C)CC1 ZINC000791305195 585976711 /nfs/dbraw/zinc/97/67/11/585976711.db2.gz JUSLSXYCJWVKDI-ARJAWSKDSA-N 0 3 212.293 0.399 20 0 BCADHN COC/C=C/C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000791386907 585980012 /nfs/dbraw/zinc/98/00/12/585980012.db2.gz UCBQLSPKXYXOTJ-MJKAUQOVSA-N 0 3 238.331 0.930 20 0 BCADHN COC(=O)CC1(NCC2OCCO2)CCCC1 ZINC000791590573 585984703 /nfs/dbraw/zinc/98/47/03/585984703.db2.gz VZRJRYNJYSSTDA-UHFFFAOYSA-N 0 3 243.303 0.825 20 0 BCADHN CN(C[C@H]1CC2(CCC2)C(=O)O1)C1CC(O)C1 ZINC000792288507 585999218 /nfs/dbraw/zinc/99/92/18/585999218.db2.gz YBRCKBUBICFZMP-VQXHTEKXSA-N 0 3 239.315 0.927 20 0 BCADHN C[C@@H]1C[C@H]1CNC1(CO)COC(C)(C)OC1 ZINC000859279484 589027415 /nfs/dbraw/zinc/02/74/15/589027415.db2.gz AMBDITIYGJFYQX-ZJUUUORDSA-N 0 3 229.320 0.746 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)CC1OCCO1 ZINC000793356654 586017347 /nfs/dbraw/zinc/01/73/47/586017347.db2.gz CDZRLPDWXZUSTA-SNVBAGLBSA-N 0 3 242.319 0.302 20 0 BCADHN CN(CCN1CCCC1)C(=O)CC1OCCO1 ZINC000793417709 586019003 /nfs/dbraw/zinc/01/90/03/586019003.db2.gz WECMYCHLNQHHFN-UHFFFAOYSA-N 0 3 242.319 0.304 20 0 BCADHN C[C@@H]1OCC[C@@H]1COC(=O)C1CCN(C)C1=O ZINC000793439996 586020252 /nfs/dbraw/zinc/02/02/52/586020252.db2.gz HLZJDNKFKFDMOZ-IVZWLZJFSA-N 0 3 241.287 0.433 20 0 BCADHN CN1CCC[C@H](CNC(=O)CC2OCCO2)C1 ZINC000793463148 586020530 /nfs/dbraw/zinc/02/05/30/586020530.db2.gz ZSJXNWSIMFVCBR-SNVBAGLBSA-N 0 3 242.319 0.207 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)CC1OCCCO1 ZINC000793493670 586020901 /nfs/dbraw/zinc/02/09/01/586020901.db2.gz PYLGYEWQBODIJV-SNVBAGLBSA-N 0 3 242.319 0.350 20 0 BCADHN Cc1cc([C@@H](C)NC[C@@H]2COCCO2)n(C)n1 ZINC000793523985 586021581 /nfs/dbraw/zinc/02/15/81/586021581.db2.gz RALHCXKCTMOUSH-GHMZBOCLSA-N 0 3 239.319 0.795 20 0 BCADHN COC[C@@H](CCO)N[C@H](C)c1cc(C)nn1C ZINC000793535640 586022269 /nfs/dbraw/zinc/02/22/69/586022269.db2.gz QERPOFOSQFFDMJ-GHMZBOCLSA-N 0 3 241.335 0.777 20 0 BCADHN COCC[C@@H](CO)N[C@@H](C)c1cc(C)nn1C ZINC000793566124 586023430 /nfs/dbraw/zinc/02/34/30/586023430.db2.gz MJDPKMZUPPZUHT-QWRGUYRKSA-N 0 3 241.335 0.777 20 0 BCADHN CN(C)C1(CNC(=O)CC2OCCO2)CCC1 ZINC000793909638 586028591 /nfs/dbraw/zinc/02/85/91/586028591.db2.gz XVFPGKVUOXUOCV-UHFFFAOYSA-N 0 3 242.319 0.350 20 0 BCADHN CN1CCC(C(=O)N[C@@]2(C)CCOC2=O)CC1 ZINC000794098511 586032554 /nfs/dbraw/zinc/03/25/54/586032554.db2.gz LQPDPXXSPKQCRZ-LBPRGKRZSA-N 0 3 240.303 0.150 20 0 BCADHN COC(=O)C[C@H](NCc1n[nH]c(C)n1)C1CC1 ZINC000794487941 586040659 /nfs/dbraw/zinc/04/06/59/586040659.db2.gz NGSJZSLMFGGHEW-VIFPVBQESA-N 0 3 238.291 0.544 20 0 BCADHN C[C@]1(O)CCCN(Cn2cnnc2)CC1 ZINC000794672810 586046250 /nfs/dbraw/zinc/04/62/50/586046250.db2.gz PIWNZTUIOLOYSY-JTQLQIEISA-N 0 3 210.281 0.473 20 0 BCADHN CCN(C/C=C(/C)C(=O)OC)[C@H](C)CO ZINC000794709642 586047224 /nfs/dbraw/zinc/04/72/24/586047224.db2.gz DAFDKTRPVDSJOJ-ABRRARGCSA-N 0 3 215.293 0.808 20 0 BCADHN CC[C@@H]1OCC[C@H]1C(=O)NCCN(C)C ZINC000794741704 586047841 /nfs/dbraw/zinc/04/78/41/586047841.db2.gz OIGNAYGCDINTHY-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN O=C(CCN1C[C@H]2[C@H](CO)[C@H]2C1)C1CC1 ZINC000794872528 586052410 /nfs/dbraw/zinc/05/24/10/586052410.db2.gz WHQUDTMLSWEIJY-URLYPYJESA-N 0 3 209.289 0.526 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CC[C@H]3CCCO3)C[C@@H]21 ZINC000794951203 586057343 /nfs/dbraw/zinc/05/73/43/586057343.db2.gz HJRWUHOMHSGRFM-WYUUTHIRSA-N 0 3 239.315 0.906 20 0 BCADHN Cc1nonc1CN1CC[C@H]2CN(C)C[C@H]21 ZINC000794953274 586057603 /nfs/dbraw/zinc/05/76/03/586057603.db2.gz ITBADHHRYMSFBB-GXSJLCMTSA-N 0 3 222.292 0.514 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCn3ccnc3)C[C@@H]21 ZINC000794975549 586060257 /nfs/dbraw/zinc/06/02/57/586060257.db2.gz YYMBMGGAHZHIID-URLYPYJESA-N 0 3 235.287 0.234 20 0 BCADHN NS(=O)(=O)CCN(C1CCC1)C1CCC1 ZINC000795457989 586080146 /nfs/dbraw/zinc/08/01/46/586080146.db2.gz JFSIJGTZRUPQSJ-UHFFFAOYSA-N 0 3 232.349 0.682 20 0 BCADHN C[C@H](O)CCCOC(=O)C1CCN(C)C1=O ZINC000795596414 586087704 /nfs/dbraw/zinc/08/77/04/586087704.db2.gz DXENECYNUVMHGP-DTWKUNHWSA-N 0 3 229.276 0.169 20 0 BCADHN CCOC1CC(CN2CCCNC(=O)C2)C1 ZINC000795888230 586093955 /nfs/dbraw/zinc/09/39/55/586093955.db2.gz CPEQZKKKIZDNQR-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC1OCCO1 ZINC000796329990 586100830 /nfs/dbraw/zinc/10/08/30/586100830.db2.gz MESNGRWRXWUSRN-CXWACVEQSA-N 0 3 239.315 0.715 20 0 BCADHN NC(=O)[C@@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000796438985 586103567 /nfs/dbraw/zinc/10/35/67/586103567.db2.gz HIFHEEIVIOGSMO-MRVPVSSYSA-N 0 3 208.265 0.107 20 0 BCADHN COC(=O)[C@]12CN(CCF)C[C@H]1COCC2 ZINC000796521371 586105740 /nfs/dbraw/zinc/10/57/40/586105740.db2.gz UHGKDBWEVAJPRL-GXSJLCMTSA-N 0 3 231.267 0.467 20 0 BCADHN NS(=O)(=O)CCN(CC1CC1)C1CCC1 ZINC000796577887 586107607 /nfs/dbraw/zinc/10/76/07/586107607.db2.gz RUMKEKKGXLCACF-UHFFFAOYSA-N 0 3 232.349 0.539 20 0 BCADHN O=C1c2ccccc2C(=O)N1CCNCCF ZINC000798087155 586136585 /nfs/dbraw/zinc/13/65/85/586136585.db2.gz KMPNXZJMVGXGOE-UHFFFAOYSA-N 0 3 236.246 0.842 20 0 BCADHN C[C@@H](NCC(=O)NCC1CC1)c1cc[nH]c(=O)c1 ZINC000798182062 586138761 /nfs/dbraw/zinc/13/87/61/586138761.db2.gz AHKOVMVGWNMAEJ-SECBINFHSA-N 0 3 249.314 0.964 20 0 BCADHN COC[C@H]1CCCN(CC[S@](C)=O)C1 ZINC000798195043 586139449 /nfs/dbraw/zinc/13/94/49/586139449.db2.gz LCFTVKUFNMYQRD-HZMBPMFUSA-N 0 3 219.350 0.723 20 0 BCADHN CCN(CC)[C@H]1CCN(CC[S@@](C)=O)C1 ZINC000798197226 586140332 /nfs/dbraw/zinc/14/03/32/586140332.db2.gz PTTIHRZYKVBOEZ-XHDPSFHLSA-N 0 3 232.393 0.781 20 0 BCADHN C[C@@H](O)CN1CCCC[C@@H]1CN1CCCC1=O ZINC000799121878 586158851 /nfs/dbraw/zinc/15/88/51/586158851.db2.gz JHCXQPBMJLQIGC-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN CON(C)C(=O)CCN1CCCO[C@@H](C)C1 ZINC000799119771 586158867 /nfs/dbraw/zinc/15/88/67/586158867.db2.gz FWVQKZLNDHODGM-JTQLQIEISA-N 0 3 230.308 0.507 20 0 BCADHN CON(C)C(=O)CCN1CCCO[C@H](C)C1 ZINC000799119772 586159181 /nfs/dbraw/zinc/15/91/81/586159181.db2.gz FWVQKZLNDHODGM-SNVBAGLBSA-N 0 3 230.308 0.507 20 0 BCADHN CON(C)C(=O)CCN(C)[C@H]1CCOC1 ZINC000799121740 586159344 /nfs/dbraw/zinc/15/93/44/586159344.db2.gz JYTJKNREGIOTRP-VIFPVBQESA-N 0 3 216.281 0.117 20 0 BCADHN CC1(C)CCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000799124120 586159686 /nfs/dbraw/zinc/15/96/86/586159686.db2.gz PBYPSDLDQNQZHQ-MRVPVSSYSA-N 0 3 210.277 0.524 20 0 BCADHN O=C1CC[C@@H](N2CCC3(CCC3)C2)C(=O)N1 ZINC000799127839 586160393 /nfs/dbraw/zinc/16/03/93/586160393.db2.gz JRGNYBFPJYZCCI-SECBINFHSA-N 0 3 222.288 0.668 20 0 BCADHN CCN1CCN(CCC(=O)N(C)OC)C[C@@H]1C ZINC000799145413 586161388 /nfs/dbraw/zinc/16/13/88/586161388.db2.gz WHNQJFNKBLSIRM-NSHDSACASA-N 0 3 243.351 0.422 20 0 BCADHN C[C@@H]1CCN([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC000799147138 586161457 /nfs/dbraw/zinc/16/14/57/586161457.db2.gz GWUXAKCQBUOSSF-OPRDCNLKSA-N 0 3 224.304 0.770 20 0 BCADHN CC[C@H](CO)N(C)CCc1cn(C)nn1 ZINC000859318491 589031279 /nfs/dbraw/zinc/03/12/79/589031279.db2.gz CQDCSTGLPNABTR-SNVBAGLBSA-N 0 3 212.297 0.060 20 0 BCADHN CSCCCN(C)[C@H]1CCC(=O)NC1=O ZINC000799198504 586166989 /nfs/dbraw/zinc/16/69/89/586166989.db2.gz GMVPOZBAXDXTQP-QMMMGPOBSA-N 0 3 230.333 0.477 20 0 BCADHN CC[C@H](CO)N[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000799223321 586168002 /nfs/dbraw/zinc/16/80/02/586168002.db2.gz FMYHBFWEWVMLBX-GMTAPVOTSA-N 0 3 244.335 0.031 20 0 BCADHN C[C@@H](O)CN(C)C[C@@H](O)c1ccc(F)cn1 ZINC000799302890 586169083 /nfs/dbraw/zinc/16/90/83/586169083.db2.gz AZIKSVLPJWPDHI-LDYMZIIASA-N 0 3 228.267 0.567 20 0 BCADHN CC(C)N(CCO)C[C@@H](O)c1ccc(F)cn1 ZINC000799298219 586169881 /nfs/dbraw/zinc/16/98/81/586169881.db2.gz WFKVTYSMYWXWCV-GFCCVEGCSA-N 0 3 242.294 0.957 20 0 BCADHN CC[C@H](O)CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000799301991 586170252 /nfs/dbraw/zinc/17/02/52/586170252.db2.gz XIWJVHDEIIAHRU-RWMBFGLXSA-N 0 3 242.363 0.288 20 0 BCADHN CCN(CCCO)C[C@@H](O)c1ccc(F)cn1 ZINC000799303086 586170520 /nfs/dbraw/zinc/17/05/20/586170520.db2.gz AWAGAWGDSPJALS-GFCCVEGCSA-N 0 3 242.294 0.958 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C[C@@H](O)c1ccc(F)cn1 ZINC000799310994 586171013 /nfs/dbraw/zinc/17/10/13/586171013.db2.gz PCRGOZJCNIJJHG-UBHAPETDSA-N 0 3 240.278 0.709 20 0 BCADHN CO[C@@H]1CCN(CC2OCCO2)[C@@H](C)C1 ZINC000799343257 586172579 /nfs/dbraw/zinc/17/25/79/586172579.db2.gz CVSKUFBURTVHHS-VHSXEESVSA-N 0 3 215.293 0.859 20 0 BCADHN C(CN1CCOC[C@@]12CCOC2)N1CCCC1 ZINC000799346762 586172626 /nfs/dbraw/zinc/17/26/26/586172626.db2.gz IKRLXLSFEWYCLZ-ZDUSSCGKSA-N 0 3 240.347 0.574 20 0 BCADHN CN(CCCO)C[C@H](O)c1ccc(F)cn1 ZINC000799363542 586174269 /nfs/dbraw/zinc/17/42/69/586174269.db2.gz IHTWRKWGTLBQNA-NSHDSACASA-N 0 3 228.267 0.568 20 0 BCADHN CN(CCCO)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000799363760 586174319 /nfs/dbraw/zinc/17/43/19/586174319.db2.gz NSIUAOACKNDJSE-JTQLQIEISA-N 0 3 227.304 0.786 20 0 BCADHN C/C=C\C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000799744248 586196207 /nfs/dbraw/zinc/19/62/07/586196207.db2.gz JDIOHLQXYYUSQF-WAYWQWQTSA-N 0 3 239.363 0.705 20 0 BCADHN CN1CCC[C@H](NC(=O)c2c[nH]c(=S)[nH]2)C1 ZINC000800689946 586226970 /nfs/dbraw/zinc/22/69/70/586226970.db2.gz URZSMFAGAIAMFV-ZETCQYMHSA-N 0 3 240.332 0.522 20 0 BCADHN CCOC[C@@H](O)CNC[C@H](O)c1ccc(C)o1 ZINC000843085126 586270485 /nfs/dbraw/zinc/27/04/85/586270485.db2.gz FOHLHMRSNWAAQN-QWRGUYRKSA-N 0 3 243.303 0.608 20 0 BCADHN CCN1C[C@H](CN(C)CC2(C)COC2)OC1=O ZINC000859570978 589046094 /nfs/dbraw/zinc/04/60/94/589046094.db2.gz FNKBIPVTWNYHBW-JTQLQIEISA-N 0 3 242.319 0.795 20 0 BCADHN Cc1ncc(COC(=O)C2CCN(C)C2=O)cn1 ZINC000803441974 586355943 /nfs/dbraw/zinc/35/59/43/586355943.db2.gz WYMWTAMXXNWAHJ-SNVBAGLBSA-N 0 3 249.270 0.307 20 0 BCADHN CC[S@](=O)CC(=O)OCCCN1CCCC1 ZINC000803477604 586359991 /nfs/dbraw/zinc/35/99/91/586359991.db2.gz GOJIVRHCOLJKPI-INIZCTEOSA-N 0 3 247.360 0.784 20 0 BCADHN COC(=O)COC(=O)CC[C@H]1CCCCN1C ZINC000803858048 586378331 /nfs/dbraw/zinc/37/83/31/586378331.db2.gz LCFQSPIDHRMXFB-SNVBAGLBSA-N 0 3 243.303 0.967 20 0 BCADHN C[C@H](O)CN[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000843106652 586385516 /nfs/dbraw/zinc/38/55/16/586385516.db2.gz KPNPAMZYSVEUGV-CYZMBNFOSA-N 0 3 239.315 0.441 20 0 BCADHN Cc1c[nH]nc1CN1CCNC[C@@H]1C(F)F ZINC000843124410 586411026 /nfs/dbraw/zinc/41/10/26/586411026.db2.gz ACIPBIIIDJPUMQ-SECBINFHSA-N 0 3 230.262 0.757 20 0 BCADHN Cn1nncc1CN[C@H]1CCC12CCOCC2 ZINC000806659748 586416067 /nfs/dbraw/zinc/41/60/67/586416067.db2.gz DLUGBUZJRZXLQH-NSHDSACASA-N 0 3 236.319 0.864 20 0 BCADHN CC[S@](=O)CCNC(=O)N[C@@H](C)CN(C)C ZINC000806850939 586419445 /nfs/dbraw/zinc/41/94/45/586419445.db2.gz AMMUFTZEUSGNAR-FVMDXXJSSA-N 0 3 249.380 0.004 20 0 BCADHN COCCO[N-]C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000807007487 586421522 /nfs/dbraw/zinc/42/15/22/586421522.db2.gz IMLMKPUMCFEAGY-NSHDSACASA-N 0 3 244.335 0.945 20 0 BCADHN COCCO[N-]C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000807007487 586421523 /nfs/dbraw/zinc/42/15/23/586421523.db2.gz IMLMKPUMCFEAGY-NSHDSACASA-N 0 3 244.335 0.945 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@H]1CCC=CO1 ZINC000807153780 586424571 /nfs/dbraw/zinc/42/45/71/586424571.db2.gz BHQJCIRILKQZEW-WDEREUQCSA-N 0 3 241.335 0.928 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCOCC[C@@H]1C ZINC000807575437 586446532 /nfs/dbraw/zinc/44/65/32/586446532.db2.gz FXBGDGZLUUSZRO-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCOCC[C@H]1C ZINC000807575438 586446578 /nfs/dbraw/zinc/44/65/78/586446578.db2.gz FXBGDGZLUUSZRO-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN COCCCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000808024552 586459780 /nfs/dbraw/zinc/45/97/80/586459780.db2.gz MDJYWQGCLQXDHF-UHFFFAOYSA-N 0 3 230.308 0.555 20 0 BCADHN CC/C=C(\C)C(=O)N[C@H](CO)CN1CCCC1 ZINC000808224167 586468534 /nfs/dbraw/zinc/46/85/34/586468534.db2.gz QHYLKVBFTHUNMJ-BCMYLCSRSA-N 0 3 240.347 0.916 20 0 BCADHN Cn1cnc(CN[C@H]2CCc3n[nH]cc3C2)c1 ZINC000808391037 586470152 /nfs/dbraw/zinc/47/01/52/586470152.db2.gz HNLZEQJUGKGTHQ-JTQLQIEISA-N 0 3 231.303 0.790 20 0 BCADHN Cn1cnc(CNCC2(C(N)=O)CCCC2)c1 ZINC000808389990 586470211 /nfs/dbraw/zinc/47/02/11/586470211.db2.gz YAUPSQBFWXLDLG-UHFFFAOYSA-N 0 3 236.319 0.555 20 0 BCADHN CCN(CC)CCOC(=O)c1cn(C)nn1 ZINC000808660744 586482023 /nfs/dbraw/zinc/48/20/23/586482023.db2.gz QIHGRMDAZRLUNH-UHFFFAOYSA-N 0 3 226.280 0.314 20 0 BCADHN CN(C[C@H](O)C(C)(C)C)[C@H]1CCCCNC1=O ZINC000808717645 586483924 /nfs/dbraw/zinc/48/39/24/586483924.db2.gz KGZBJRAOFVGICZ-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCCNC(=O)C1 ZINC000808719279 586484711 /nfs/dbraw/zinc/48/47/11/586484711.db2.gz UETYJVGTKTVWPP-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN CON(C)C(=O)CCN1CCc2n[nH]cc2C1 ZINC000808741319 586486314 /nfs/dbraw/zinc/48/63/14/586486314.db2.gz DDZSOIUJHSVVAA-UHFFFAOYSA-N 0 3 238.291 0.178 20 0 BCADHN CC(C)C(=O)CCN(C[C@H](C)O)[C@H](C)CO ZINC000808750365 586487806 /nfs/dbraw/zinc/48/78/06/586487806.db2.gz MMLDTTBWOCGCAU-MNOVXSKESA-N 0 3 231.336 0.665 20 0 BCADHN NS(=O)(=O)CCN1CCC[C@H](C2CC2)C1 ZINC000808777696 586489790 /nfs/dbraw/zinc/48/97/90/586489790.db2.gz DDLFHYCWTPXSMK-JTQLQIEISA-N 0 3 232.349 0.397 20 0 BCADHN COCCOCCN(C)CCC(=O)C1CC1 ZINC000808791935 586490151 /nfs/dbraw/zinc/49/01/51/586490151.db2.gz QHYVAKXGPACAMC-UHFFFAOYSA-N 0 3 229.320 0.950 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)c1cn(C)nn1 ZINC000809147920 586499532 /nfs/dbraw/zinc/49/95/32/586499532.db2.gz XSOMFPCLUGOAOH-SECBINFHSA-N 0 3 239.323 0.131 20 0 BCADHN COCCC1(C)CN(CCC(=O)N(C)OC)C1 ZINC000809214509 586501562 /nfs/dbraw/zinc/50/15/62/586501562.db2.gz DZNDNCJTKLFLGV-UHFFFAOYSA-N 0 3 244.335 0.755 20 0 BCADHN Cc1nonc1CN[C@@H]1CN(C2CC2)C[C@H]1C ZINC000809745075 586516440 /nfs/dbraw/zinc/51/64/40/586516440.db2.gz LOFOXQFPDAKGCU-PRHODGIISA-N 0 3 236.319 0.950 20 0 BCADHN NC(=O)C[C@@H]1CCN(Cc2ccoc2)C1 ZINC000809785322 586519734 /nfs/dbraw/zinc/51/97/34/586519734.db2.gz RNOMCSXKXZXZIH-VIFPVBQESA-N 0 3 208.261 0.977 20 0 BCADHN Cn1nncc1NC(=O)NC[C@H]1CCCN1C ZINC000809897994 586522137 /nfs/dbraw/zinc/52/21/37/586522137.db2.gz WLVIJNAEDZESFR-MRVPVSSYSA-N 0 3 238.295 0.031 20 0 BCADHN Cn1ncc(CN2CC[C@H](N3CCCCC3)C2)n1 ZINC000809944664 586525187 /nfs/dbraw/zinc/52/51/87/586525187.db2.gz RDPCJYZIAMMRMA-ZDUSSCGKSA-N 0 3 249.362 0.875 20 0 BCADHN CCN1C[C@H](C)N(Cc2cnn(C)n2)C[C@H]1C ZINC000809969424 586527450 /nfs/dbraw/zinc/52/74/50/586527450.db2.gz TZXYSHPETVIUMR-MNOVXSKESA-N 0 3 237.351 0.730 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2C1 ZINC000812322245 586573592 /nfs/dbraw/zinc/57/35/92/586573592.db2.gz ONALXDVBYJZBQR-ZJUUUORDSA-N 0 3 235.287 0.698 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)c3ncccn3)C[C@@H]2C1 ZINC000812332152 586573795 /nfs/dbraw/zinc/57/37/95/586573795.db2.gz ZIFQTUPLDTZINV-MNOVXSKESA-N 0 3 246.314 0.500 20 0 BCADHN CO[C@H](C)CN1CCC(C(=O)N(C)OC)CC1 ZINC000812870079 586588236 /nfs/dbraw/zinc/58/82/36/586588236.db2.gz VVILMISJLGLDLX-SNVBAGLBSA-N 0 3 244.335 0.753 20 0 BCADHN CON(C)C(=O)C1CCN(C[C@H](C)O)CC1 ZINC000812868583 586588316 /nfs/dbraw/zinc/58/83/16/586588316.db2.gz PFSOHWLNKVPXDE-VIFPVBQESA-N 0 3 230.308 0.099 20 0 BCADHN CCN(CCN1CCOC1=O)C[C@@H](C)OC ZINC000812907384 586588577 /nfs/dbraw/zinc/58/85/77/586588577.db2.gz VUWZMYBIFIPELY-SNVBAGLBSA-N 0 3 230.308 0.795 20 0 BCADHN CCN(CCN1CCOC1=O)C[C@H](C)OC ZINC000812907383 586588629 /nfs/dbraw/zinc/58/86/29/586588629.db2.gz VUWZMYBIFIPELY-JTQLQIEISA-N 0 3 230.308 0.795 20 0 BCADHN Cn1cc(NC(=O)NC2CCN(C)CC2)nn1 ZINC000813011222 586589600 /nfs/dbraw/zinc/58/96/00/586589600.db2.gz RBFCEASUEFNKIF-UHFFFAOYSA-N 0 3 238.295 0.031 20 0 BCADHN CN(C)C1(C(=O)NCC2=CCCOC2)CCC1 ZINC000813710312 586605558 /nfs/dbraw/zinc/60/55/58/586605558.db2.gz FIKTUSAOKYRWNN-UHFFFAOYSA-N 0 3 238.331 0.934 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)N3CCCC3)[C@@H]2C1 ZINC000813821074 586606734 /nfs/dbraw/zinc/60/67/34/586606734.db2.gz ODSKATWTDNCSKC-WDEREUQCSA-N 0 3 223.320 0.838 20 0 BCADHN COCC(C)(C)COC(=O)C1CCN(C)C1=O ZINC000813993890 586610729 /nfs/dbraw/zinc/61/07/29/586610729.db2.gz WDZRXYLISUXWNV-VIFPVBQESA-N 0 3 243.303 0.681 20 0 BCADHN CCN1CC[C@H](CNC(=O)c2cc(C=O)c[nH]2)C1 ZINC000815081126 586665857 /nfs/dbraw/zinc/66/58/57/586665857.db2.gz SJBMQJFWDRNHGU-SNVBAGLBSA-N 0 3 249.314 0.899 20 0 BCADHN COC[C@H]1CCN1CCC(=O)N(C)OC ZINC000815128247 586668974 /nfs/dbraw/zinc/66/89/74/586668974.db2.gz TXXHESVSHLYIND-SECBINFHSA-N 0 3 216.281 0.117 20 0 BCADHN Cn1cncc1CNCCCc1cnn(C)n1 ZINC000815144315 586669707 /nfs/dbraw/zinc/66/97/07/586669707.db2.gz FPDVRYIYLQCQMG-UHFFFAOYSA-N 0 3 234.307 0.271 20 0 BCADHN COC[C@@H](O)CN1CCC2(CC1)OCCCO2 ZINC000815154943 586670957 /nfs/dbraw/zinc/67/09/57/586670957.db2.gz IZGHOCKUWOXNGM-NSHDSACASA-N 0 3 245.319 0.223 20 0 BCADHN CCN(C[C@@H](O)c1ccc(F)cn1)[C@@H](C)CO ZINC000815182042 586672938 /nfs/dbraw/zinc/67/29/38/586672938.db2.gz MFWZTXASYPKOJD-JOYOIKCWSA-N 0 3 242.294 0.957 20 0 BCADHN CO[C@H](COC(=O)C1CCN(C)C1=O)C1CC1 ZINC000816374457 586721244 /nfs/dbraw/zinc/72/12/44/586721244.db2.gz FGKWFURBQCGQBM-VHSXEESVSA-N 0 3 241.287 0.433 20 0 BCADHN C/C=C(\CC)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000816625497 586745672 /nfs/dbraw/zinc/74/56/72/586745672.db2.gz FZLSGECOXXPTQB-NDZKXSSTSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@H](CNC(=O)C(=O)C(C)(C)C)CN(C)C ZINC000816831732 586766914 /nfs/dbraw/zinc/76/69/14/586766914.db2.gz FEWLGVUOBSBJPR-SECBINFHSA-N 0 3 228.336 0.916 20 0 BCADHN CN(C[C@H]1CCCN1C)[C@H]1CCCCNC1=O ZINC000817289643 586793294 /nfs/dbraw/zinc/79/32/94/586793294.db2.gz BCEPJWKRKWBDCD-NEPJUHHUSA-N 0 3 239.363 0.681 20 0 BCADHN CN(C[C@@H]1CCCN1C)[C@@H]1CCCCNC1=O ZINC000817289644 586793307 /nfs/dbraw/zinc/79/33/07/586793307.db2.gz BCEPJWKRKWBDCD-NWDGAFQWSA-N 0 3 239.363 0.681 20 0 BCADHN CCc1cc(NC(=O)NCCN(C)C)nn1C ZINC000817338628 586797266 /nfs/dbraw/zinc/79/72/66/586797266.db2.gz WECKHCRFRRHXQN-UHFFFAOYSA-N 0 3 239.323 0.666 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)CC1OCCO1 ZINC000817680002 586817726 /nfs/dbraw/zinc/81/77/26/586817726.db2.gz YLGXRTUIPMNRPK-JTQLQIEISA-N 0 3 242.319 0.302 20 0 BCADHN CCc1cc(NC(=O)[C@H]2CCN(C)C2)nn1C ZINC000817691426 586817905 /nfs/dbraw/zinc/81/79/05/586817905.db2.gz YDHLLJPGFCKKEA-VIFPVBQESA-N 0 3 236.319 0.873 20 0 BCADHN CN(Cc1ccnc(F)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859963153 589073592 /nfs/dbraw/zinc/07/35/92/589073592.db2.gz XMYCRFKRWDNCBD-AOOOYVTPSA-N 0 3 237.278 0.916 20 0 BCADHN C[C@H](CC(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000818012743 586864228 /nfs/dbraw/zinc/86/42/28/586864228.db2.gz XGHZZSCKKFNYIV-KOLCDFICSA-N 0 3 226.320 0.527 20 0 BCADHN Cc1ccccc1[C@@H](O)CNC(=O)[C@@H]1C[C@@H]1N ZINC000818117165 586875553 /nfs/dbraw/zinc/87/55/53/586875553.db2.gz VEVZKTSRZULNSR-WOPDTQHZSA-N 0 3 234.299 0.492 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1ccc(Cl)nc1 ZINC000818121585 586875811 /nfs/dbraw/zinc/87/58/11/586875811.db2.gz FBVUGTMDNXHWAH-DTWKUNHWSA-N 0 3 239.706 0.741 20 0 BCADHN Cc1noc(C)c1CCCNC(=O)[C@@H]1C[C@@H]1N ZINC000818122518 586875907 /nfs/dbraw/zinc/87/59/07/586875907.db2.gz WFKMCRYOUMGNAA-MNOVXSKESA-N 0 3 237.303 0.687 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@H]1CSCCS1 ZINC000818122459 586875956 /nfs/dbraw/zinc/87/59/56/586875956.db2.gz VERLRONAELCLQH-BIIVOSGPSA-N 0 3 232.374 0.298 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000818133320 586876461 /nfs/dbraw/zinc/87/64/61/586876461.db2.gz CGGIRJCNIWYBGJ-RRKCRQDMSA-N 0 3 238.209 0.123 20 0 BCADHN CCCn1cc(NC(=O)[C@@H]2C[C@@H]2N)cn1 ZINC000818133050 586876506 /nfs/dbraw/zinc/87/65/06/586876506.db2.gz QLUFUTWUYDEYAH-BDAKNGLRSA-N 0 3 208.265 0.579 20 0 BCADHN C[C@@H](C[C@H]1CCOC1)NC(=O)[C@@H]1C[C@@H]1N ZINC000818138861 586876521 /nfs/dbraw/zinc/87/65/21/586876521.db2.gz OQKYMMNRMDFYPD-JLIMGVALSA-N 0 3 212.293 0.265 20 0 BCADHN CCCCC[C@@H](NC(=O)[C@@H]1C[C@@H]1N)C(=O)OC ZINC000818141048 586876703 /nfs/dbraw/zinc/87/67/03/586876703.db2.gz HRCJCWRXCAMXQX-KXUCPTDWSA-N 0 3 242.319 0.572 20 0 BCADHN C[C@H](C[C@@H]1CCOC1)NC(=O)[C@@H]1C[C@@H]1N ZINC000818138864 586876776 /nfs/dbraw/zinc/87/67/76/586876776.db2.gz OQKYMMNRMDFYPD-RGOKHQFPSA-N 0 3 212.293 0.265 20 0 BCADHN CCNCC(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000818463581 586892094 /nfs/dbraw/zinc/89/20/94/586892094.db2.gz PWKGYIONJJXPSO-UHFFFAOYSA-N 0 3 235.287 0.642 20 0 BCADHN CCNCC(=O)NC1(CC(=O)OC)CCC1 ZINC000818486797 586894388 /nfs/dbraw/zinc/89/43/88/586894388.db2.gz HSYUYSCEKDMERM-UHFFFAOYSA-N 0 3 228.292 0.198 20 0 BCADHN CCNCC(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000818481906 586894405 /nfs/dbraw/zinc/89/44/05/586894405.db2.gz LTEICKQOUZTNMP-JTQLQIEISA-N 0 3 249.314 0.739 20 0 BCADHN CCNCC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000818490922 586895045 /nfs/dbraw/zinc/89/50/45/586895045.db2.gz MECVGQQWUVQOCB-UHFFFAOYSA-N 0 3 249.270 0.566 20 0 BCADHN CCNCC(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000818515200 586896547 /nfs/dbraw/zinc/89/65/47/586896547.db2.gz LIYGAMAAAXJXKJ-BXKDBHETSA-N 0 3 228.336 0.916 20 0 BCADHN CCNCC(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000818562270 586897132 /nfs/dbraw/zinc/89/71/32/586897132.db2.gz ZRFMEGQDNDZGSY-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CCNCC(=O)NCCCC(=O)OC(C)C ZINC000818604211 586905808 /nfs/dbraw/zinc/90/58/08/586905808.db2.gz AOPINIWBPXFNKA-UHFFFAOYSA-N 0 3 230.308 0.444 20 0 BCADHN CCNCC(=O)Nc1c(C)ccn(C)c1=O ZINC000818561987 586901737 /nfs/dbraw/zinc/90/17/37/586901737.db2.gz NSJBKSIZRPPTPX-UHFFFAOYSA-N 0 3 223.276 0.242 20 0 BCADHN CN(C[C@H]1COC(C)(C)O1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859962017 589074002 /nfs/dbraw/zinc/07/40/02/589074002.db2.gz DCKOSGWBXJABGD-AEJSXWLSSA-N 0 3 242.319 0.334 20 0 BCADHN CCNCC(=O)N(C[C@H](C)C(=O)OC)C1CC1 ZINC000818609304 586906181 /nfs/dbraw/zinc/90/61/81/586906181.db2.gz JHCHRLKOZJREQY-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN CCNCC(=O)Nc1cc(CC)n(C)n1 ZINC000818613098 586906772 /nfs/dbraw/zinc/90/67/72/586906772.db2.gz FDHMBAQMNSTWFE-UHFFFAOYSA-N 0 3 210.281 0.531 20 0 BCADHN CCN(C(=O)C1(N(C)C)CCC1)[C@@H](C)CO ZINC000818633609 586909122 /nfs/dbraw/zinc/90/91/22/586909122.db2.gz DNQSKYHTIQWJBL-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H](O)CNCc1cccnc1-n1ccnc1 ZINC000818948122 586916403 /nfs/dbraw/zinc/91/64/03/586916403.db2.gz YEYGBJMMSJWYTQ-SNVBAGLBSA-N 0 3 232.287 0.738 20 0 BCADHN Cc1ccccc1[C@H](O)CNCC(=O)N(C)C ZINC000818940620 586916498 /nfs/dbraw/zinc/91/64/98/586916498.db2.gz AGOKHEUKHIYEQF-GFCCVEGCSA-N 0 3 236.315 0.706 20 0 BCADHN C[C@H](O)CNCc1cccnc1-n1ccnc1 ZINC000818948121 586916564 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234.347 0.967 20 0 BCADHN CON(C)CCCNC(=O)CN(C)C(C)C ZINC000824524044 587272879 /nfs/dbraw/zinc/27/28/79/587272879.db2.gz PGNXZQXYCVZLPV-UHFFFAOYSA-N 0 3 231.340 0.326 20 0 BCADHN CCC[C@H](O)C(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000824840490 587289928 /nfs/dbraw/zinc/28/99/28/587289928.db2.gz AKVPOLSBYPREMA-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN Cc1nccn1CCNC(=O)C1=NC(=O)N(C)C1 ZINC000824855618 587290528 /nfs/dbraw/zinc/29/05/28/587290528.db2.gz NSDMKDKHRVKAMA-UHFFFAOYSA-N 0 3 249.274 0.061 20 0 BCADHN CCN(C(=O)[C@@H]1C[C@H]1OC)[C@@H]1CCN(CC)C1 ZINC000825018185 587299314 /nfs/dbraw/zinc/29/93/14/587299314.db2.gz IPUUFPHPYWWSIY-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@@H](O)CNC(=O)[C@H]1CCCN1C(C)C ZINC000825258559 587312056 /nfs/dbraw/zinc/31/20/56/587312056.db2.gz XPUQCJIJQIQIIH-GHMZBOCLSA-N 0 3 228.336 0.746 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC000825566933 587325517 /nfs/dbraw/zinc/32/55/17/587325517.db2.gz CFLOBDKWXIOZLF-JTQLQIEISA-N 0 3 236.319 0.505 20 0 BCADHN CCCN1CC[C@@H](NC(=O)[C@@](C)(O)CC)C1 ZINC000825625562 587328277 /nfs/dbraw/zinc/32/82/77/587328277.db2.gz NEGXTNMDEJBQOY-PWSUYJOCSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@H](CNC(=O)Cc1ncc[nH]1)N(C)C1CC1 ZINC000825749336 587336737 /nfs/dbraw/zinc/33/67/37/587336737.db2.gz QTXYNCKBZFKWIX-SECBINFHSA-N 0 3 236.319 0.551 20 0 BCADHN C[C@H]1C[C@H](NCCNC(=O)[O-])CC[N@@H+]1C ZINC000825853099 587340035 /nfs/dbraw/zinc/34/00/35/587340035.db2.gz TXNATWAJKUQVPE-DTWKUNHWSA-N 0 3 215.297 0.326 20 0 BCADHN C[C@H]1C[C@H](NCCNC(=O)[O-])CC[N@H+]1C ZINC000825853099 587340037 /nfs/dbraw/zinc/34/00/37/587340037.db2.gz TXNATWAJKUQVPE-DTWKUNHWSA-N 0 3 215.297 0.326 20 0 BCADHN CN(CC[NH+](C)C)c1cnccc1-c1nnn[n-]1 ZINC000825866364 587342672 /nfs/dbraw/zinc/34/26/72/587342672.db2.gz XSEUYQOHCQOUCV-UHFFFAOYSA-N 0 3 247.306 0.260 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)[C@@H](O)C1CCC1 ZINC000825891167 587344527 /nfs/dbraw/zinc/34/45/27/587344527.db2.gz FXQXQHJLJLGDKV-RYUDHWBXSA-N 0 3 242.363 0.850 20 0 BCADHN CN(CCN1CCCC1)C(=O)Cc1ncc[nH]1 ZINC000826024036 587348682 /nfs/dbraw/zinc/34/86/82/587348682.db2.gz OZPAKAORLYCZKA-UHFFFAOYSA-N 0 3 236.319 0.506 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2cncc(OC)c2)C1 ZINC000826130495 587351269 /nfs/dbraw/zinc/35/12/69/587351269.db2.gz IYAYQYLWRZXTMC-NSHDSACASA-N 0 3 249.314 0.658 20 0 BCADHN OCC1([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826508063 587352961 /nfs/dbraw/zinc/35/29/61/587352961.db2.gz CQCDEJBELIRCJX-UHFFFAOYSA-N 0 3 245.286 0.481 20 0 BCADHN OCC1([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826508063 587352962 /nfs/dbraw/zinc/35/29/62/587352962.db2.gz CQCDEJBELIRCJX-UHFFFAOYSA-N 0 3 245.286 0.481 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](O)C1 ZINC000826659215 587358129 /nfs/dbraw/zinc/35/81/29/587358129.db2.gz FIOKNRRFMYJOPR-GMTAPVOTSA-N 0 3 226.320 0.499 20 0 BCADHN CC[C@@H]1CN(C(=O)c2cc(=O)cc[nH]2)C[C@H](C)N1 ZINC000826678680 587359169 /nfs/dbraw/zinc/35/91/69/587359169.db2.gz GDWQAMGTGNPXFP-VHSXEESVSA-N 0 3 249.314 0.587 20 0 BCADHN Cc1cccc(CNC(=O)[C@@]2(F)CCNC2)n1 ZINC000827409812 587380113 /nfs/dbraw/zinc/38/01/13/587380113.db2.gz NKRGXZLZGQLJTJ-GFCCVEGCSA-N 0 3 237.278 0.708 20 0 BCADHN C[C@@]1(CN(CCO)CCO)CC1(Cl)Cl ZINC000827675752 587395659 /nfs/dbraw/zinc/39/56/59/587395659.db2.gz YQXJJPPPQFIJNA-QMMMGPOBSA-N 0 3 242.146 0.857 20 0 BCADHN COC(=O)CCN(CC[S@](C)=O)C(C)C ZINC000827813401 587403968 /nfs/dbraw/zinc/40/39/68/587403968.db2.gz RATGRQWPESBRKW-HNNXBMFYSA-N 0 3 235.349 0.638 20 0 BCADHN CC[C@@H]1C[C@H](CN(C)CC(=O)NC)CCO1 ZINC000827862431 587405898 /nfs/dbraw/zinc/40/58/98/587405898.db2.gz FUERFCUTYGJZAL-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN C[S@](=O)CCN1CCCC[C@H]1CC(N)=O ZINC000827870197 587406270 /nfs/dbraw/zinc/40/62/70/587406270.db2.gz CUQJDPFONJWILS-VFZGTOFNSA-N 0 3 232.349 0.095 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@]2(F)CCNC2)n1 ZINC000827930314 587410819 /nfs/dbraw/zinc/41/08/19/587410819.db2.gz KTJDPILAGBCVQL-LDWIPMOCSA-N 0 3 242.254 0.257 20 0 BCADHN CC(C)Cc1cc(NC(=O)[C@@H](C)N)n(C)n1 ZINC000827947528 587412231 /nfs/dbraw/zinc/41/22/31/587412231.db2.gz VQRINERXZFYCSR-MRVPVSSYSA-N 0 3 224.308 0.904 20 0 BCADHN CO[C@@H]1CCN(CCNC(=O)NC(C)C)C1 ZINC000827974936 587414005 /nfs/dbraw/zinc/41/40/05/587414005.db2.gz ANGYQDOBGAIIAQ-SNVBAGLBSA-N 0 3 229.324 0.415 20 0 BCADHN CN(CC[S@](C)=O)CC1CCOCC1 ZINC000828122871 587420055 /nfs/dbraw/zinc/42/00/55/587420055.db2.gz PMUONDYWVUMNSQ-AWEZNQCLSA-N 0 3 219.350 0.723 20 0 BCADHN C[S@@](=O)CCN1CCC(CCC(N)=O)CC1 ZINC000828127694 587420663 /nfs/dbraw/zinc/42/06/63/587420663.db2.gz UULJTFFAAPUNAG-MRXNPFEDSA-N 0 3 246.376 0.342 20 0 BCADHN COC(=O)CC1(NCC[S@](C)=O)CCC1 ZINC000828192996 587423822 /nfs/dbraw/zinc/42/38/22/587423822.db2.gz JAQVNQIVRWKLMM-HNNXBMFYSA-N 0 3 233.333 0.440 20 0 BCADHN CCCONC(=O)NCCN(C)CCCOC ZINC000828277151 587430080 /nfs/dbraw/zinc/43/00/80/587430080.db2.gz IBJOVWVBZKFAEC-UHFFFAOYSA-N 0 3 247.339 0.596 20 0 BCADHN CCC[C@H](O)CN1CCC2(C1)OCCO2 ZINC000828286608 587432022 /nfs/dbraw/zinc/43/20/22/587432022.db2.gz CPUKKQPAHDCUCE-JTQLQIEISA-N 0 3 215.293 0.596 20 0 BCADHN CN1CCN(C(=O)[C@H]2CCOC2)CCC1(C)C ZINC000828300616 587433014 /nfs/dbraw/zinc/43/30/14/587433014.db2.gz ZKKHXHNMHTWFQH-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCCONC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000828338697 587436752 /nfs/dbraw/zinc/43/67/52/587436752.db2.gz RATFIZUEZBFASX-VHSXEESVSA-N 0 3 227.308 0.674 20 0 BCADHN C[C@@H]1CC(O)C[C@@H](C)N1CC[S@](C)=O ZINC000828382356 587439569 /nfs/dbraw/zinc/43/95/69/587439569.db2.gz RSDZHFHAXSSOOH-NUPCCRGMSA-N 0 3 219.350 0.599 20 0 BCADHN CO[C@@]1(C)CCCN(CC[S@@](C)=O)C1 ZINC000828449822 587443031 /nfs/dbraw/zinc/44/30/31/587443031.db2.gz CBLYFKBHBQFBRN-IINYFYTJSA-N 0 3 219.350 0.866 20 0 BCADHN CC[C@@H]1CN(CC[S@@](C)=O)CCCO1 ZINC000828462098 587443663 /nfs/dbraw/zinc/44/36/63/587443663.db2.gz LCTAHLSINCRWCJ-QMTHXVAHSA-N 0 3 219.350 0.866 20 0 BCADHN CO[C@@H]1CCN(CC[S@](C)=O)[C@H](C)C1 ZINC000828463168 587444173 /nfs/dbraw/zinc/44/41/73/587444173.db2.gz ZCWTURRWJFAUOJ-RULNRJAQSA-N 0 3 219.350 0.864 20 0 BCADHN C[C@@H]1CN(CC[S@](C)=O)CCN(C2CC2)C1 ZINC000828581103 587450573 /nfs/dbraw/zinc/45/05/73/587450573.db2.gz GJRMKODWSNZKNU-BZNIZROVSA-N 0 3 244.404 0.781 20 0 BCADHN COCC(C)(C)N(C)CC[S@](C)=O ZINC000828571356 587451311 /nfs/dbraw/zinc/45/13/11/587451311.db2.gz UAQVZHXCSPQENH-ZDUSSCGKSA-N 0 3 207.339 0.722 20 0 BCADHN CCNC(=O)[C@@H](NCC[S@@](C)=O)C(C)C ZINC000828575482 587451367 /nfs/dbraw/zinc/45/13/67/587451367.db2.gz KSWWZRGUWHHGEZ-BJOHPYRUSA-N 0 3 234.365 0.115 20 0 BCADHN COCC(C)(C)N(C)CC[S@@](C)=O ZINC000828571355 587451423 /nfs/dbraw/zinc/45/14/23/587451423.db2.gz UAQVZHXCSPQENH-CYBMUJFWSA-N 0 3 207.339 0.722 20 0 BCADHN CC(C)CC(=O)CCN1C[C@H](CO)[C@H](O)C1 ZINC000828620506 587454722 /nfs/dbraw/zinc/45/47/22/587454722.db2.gz BNZYLFXCLNLKGH-ZYHUDNBSSA-N 0 3 229.320 0.277 20 0 BCADHN C[S@](=O)CCN1CC[C@@H](O)CC12CCC2 ZINC000828634067 587455067 /nfs/dbraw/zinc/45/50/67/587455067.db2.gz ZTXFVQVYZPATPE-BMIGLBTASA-N 0 3 231.361 0.744 20 0 BCADHN CN(CC[S@](C)=O)C[C@H]1CCCN1C ZINC000828634033 587455361 /nfs/dbraw/zinc/45/53/61/587455361.db2.gz ZBTBBQZJLIAIPD-YGRLFVJLSA-N 0 3 218.366 0.391 20 0 BCADHN CN1CC[C@H](C(=O)Nc2ccn(CCF)n2)C1 ZINC000828852921 587467026 /nfs/dbraw/zinc/46/70/26/587467026.db2.gz XVILOTCCQYLFOI-VIFPVBQESA-N 0 3 240.282 0.743 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)c1ccnn1C)N(C)C ZINC000828937680 587473439 /nfs/dbraw/zinc/47/34/39/587473439.db2.gz BXTIHVUHABMAPC-UWVGGRQHSA-N 0 3 238.335 0.938 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](C)c1ccnn1C ZINC000828963366 587475931 /nfs/dbraw/zinc/47/59/31/587475931.db2.gz SWPDJILNLISWNF-JTQLQIEISA-N 0 3 238.335 0.938 20 0 BCADHN CC(C)OC1CC(N2CC(C)(C(N)=O)C2)C1 ZINC000829075380 587482184 /nfs/dbraw/zinc/48/21/84/587482184.db2.gz LLQYPQZXQIDUPI-UHFFFAOYSA-N 0 3 226.320 0.750 20 0 BCADHN O[C@H](CN1CCO[C@@]2(CCSC2)C1)C1CC1 ZINC000829249212 587489875 /nfs/dbraw/zinc/48/98/75/587489875.db2.gz DYFALZWQWIGWCC-NEPJUHHUSA-N 0 3 243.372 0.965 20 0 BCADHN CC/C(C)=C/C(=O)NC[C@]1(O)CCN(C)C1 ZINC000829327730 587492962 /nfs/dbraw/zinc/49/29/62/587492962.db2.gz MOJGNQKJBFZMBH-OFFHKIPUSA-N 0 3 226.320 0.526 20 0 BCADHN CN(CCO)C[C@@]1(O)CCc2ccccc21 ZINC000829338819 587493333 /nfs/dbraw/zinc/49/33/33/587493333.db2.gz ZVCYAZKZKUORGY-ZDUSSCGKSA-N 0 3 221.300 0.745 20 0 BCADHN CN(Cc1cc[nH]n1)C(=O)[C@]1(F)CCNC1 ZINC000829447273 587497722 /nfs/dbraw/zinc/49/77/22/587497722.db2.gz HFESVDYNJBQKQE-JTQLQIEISA-N 0 3 226.255 0.070 20 0 BCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCOC1 ZINC000829569325 587503886 /nfs/dbraw/zinc/50/38/86/587503886.db2.gz CZYGSFLZDWUSLA-SDDRHHMPSA-N 0 3 238.331 0.718 20 0 BCADHN CNCC(=O)N[C@H]1CCCc2nc(C)ncc21 ZINC000829798847 587517377 /nfs/dbraw/zinc/51/73/77/587517377.db2.gz GEOOJQUMVGVCBE-NSHDSACASA-N 0 3 234.303 0.498 20 0 BCADHN CC[C@H](C(=O)N1CC=C(N)N1)N(CC)CC ZINC000829831111 587521326 /nfs/dbraw/zinc/52/13/26/587521326.db2.gz HPHKVKPUEYMSAN-SECBINFHSA-N 0 3 226.324 0.254 20 0 BCADHN C[C@H]1C[C@H](NC(=O)Cc2ncc[nH]2)CN1C1CC1 ZINC000829864001 587525819 /nfs/dbraw/zinc/52/58/19/587525819.db2.gz UZQGRJGWASYZRT-UWVGGRQHSA-N 0 3 248.330 0.694 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@H]2CCOC2)CCN1C ZINC000830110465 587536591 /nfs/dbraw/zinc/53/65/91/587536591.db2.gz GPFLBCOREHJBJR-OPRDCNLKSA-N 0 3 212.293 0.232 20 0 BCADHN COC[C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000830190086 587540586 /nfs/dbraw/zinc/54/05/86/587540586.db2.gz SLYLYIJZIALIBG-MWLCHTKSSA-N 0 3 230.283 0.183 20 0 BCADHN O[C@H](CN(C1CC1)C1COC1)CN1CCCC1 ZINC000830227517 587542693 /nfs/dbraw/zinc/54/26/93/587542693.db2.gz MKGHMUYDLIJZEI-ZDUSSCGKSA-N 0 3 240.347 0.306 20 0 BCADHN CN(C)C1(C(=O)N[C@H]2C[C@@H](O)C2)CCC1 ZINC000830554646 587558247 /nfs/dbraw/zinc/55/82/47/587558247.db2.gz LKFBNWIEEWYZGD-DTORHVGOSA-N 0 3 212.293 0.110 20 0 BCADHN Cc1cnc(CNC(=O)[C@@]2(F)CCNC2)s1 ZINC000830585499 587559116 /nfs/dbraw/zinc/55/91/16/587559116.db2.gz FWXUDDROIUTHIW-SNVBAGLBSA-N 0 3 243.307 0.769 20 0 BCADHN CC[C@@H]1[C@@H](CO)CCN1CC(=O)N(C)OC ZINC000830719811 587564729 /nfs/dbraw/zinc/56/47/29/587564729.db2.gz HNHRNCVTCLZSEH-NXEZZACHSA-N 0 3 230.308 0.099 20 0 BCADHN CSC(C)(C)C(=O)NC[C@](C)(O)CN(C)C ZINC000831012297 587582972 /nfs/dbraw/zinc/58/29/72/587582972.db2.gz KYYZDDWBGKHVEI-NSHDSACASA-N 0 3 248.392 0.557 20 0 BCADHN C[C@@H](N(C)CC1OCCO1)C(C)(C)O ZINC000831019662 587583026 /nfs/dbraw/zinc/58/30/26/587583026.db2.gz FKIUPRQGZZXPAY-MRVPVSSYSA-N 0 3 203.282 0.451 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NCCC1CCC1 ZINC000831184826 587590254 /nfs/dbraw/zinc/59/02/54/587590254.db2.gz WHIQVKLJZNVRKH-JTQLQIEISA-N 0 3 242.319 0.573 20 0 BCADHN CC[C@@H](C[C@H](C)O)NC(=O)CN(CC)CC ZINC000831257495 587594511 /nfs/dbraw/zinc/59/45/11/587594511.db2.gz BCVJHRBPYSKEOS-QWRGUYRKSA-N 0 3 230.352 0.994 20 0 BCADHN CCC[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000831471468 587611772 /nfs/dbraw/zinc/61/17/72/587611772.db2.gz XHNILFHIUAVIDA-PWSUYJOCSA-N 0 3 244.310 0.716 20 0 BCADHN CCC[C@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000831471466 587611910 /nfs/dbraw/zinc/61/19/10/587611910.db2.gz XHNILFHIUAVIDA-CMPLNLGQSA-N 0 3 244.310 0.716 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc[n+]([O-])c1 ZINC000831540050 587617591 /nfs/dbraw/zinc/61/75/91/587617591.db2.gz FWHLGKOINZJJEA-VHSXEESVSA-N 0 3 235.287 0.142 20 0 BCADHN CCO[C@H](CNC(=O)CCCF)CN(C)C ZINC000831702707 587627888 /nfs/dbraw/zinc/62/78/88/587627888.db2.gz NMCCFMIIGXZUNN-SNVBAGLBSA-N 0 3 234.315 0.819 20 0 BCADHN CCO[C@@H](CNC(=O)C1CSC1)CN(C)C ZINC000831707470 587628619 /nfs/dbraw/zinc/62/86/19/587628619.db2.gz FVCQKRLZOJFEBL-JTQLQIEISA-N 0 3 246.376 0.432 20 0 BCADHN CCO[C@@H](CNC(=O)[C@H](C)N(C)C)CN(C)C ZINC000831708663 587628687 /nfs/dbraw/zinc/62/86/87/587628687.db2.gz UDKDCMFCLLTYIL-QWRGUYRKSA-N 0 3 245.367 0.019 20 0 BCADHN CCCCOC(=O)CN1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000831717893 587628907 /nfs/dbraw/zinc/62/89/07/587628907.db2.gz VGFLDPDVHHQIFZ-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CCO[C@@H](CNC(=O)C(C)(C)OC)CN(C)C ZINC000831752538 587629452 /nfs/dbraw/zinc/62/94/52/587629452.db2.gz YPCOARZCWJLICP-JTQLQIEISA-N 0 3 246.351 0.494 20 0 BCADHN CCC[C@H](O)C(=O)NC[C@@H](CN(C)C)OCC ZINC000831781261 587629517 /nfs/dbraw/zinc/62/95/17/587629517.db2.gz JUJPSCNADXAOCP-QWRGUYRKSA-N 0 3 246.351 0.230 20 0 BCADHN CCO[C@@H](CNC(=O)[C@@H](C)SC)CN(C)C ZINC000831757976 587630163 /nfs/dbraw/zinc/63/01/63/587630163.db2.gz UDFMTERNJCWMPD-ZJUUUORDSA-N 0 3 248.392 0.821 20 0 BCADHN C[C@@H]1CN(C[Si](C)(C)C)CC(=O)N1 ZINC000831763856 587630629 /nfs/dbraw/zinc/63/06/29/587630629.db2.gz OQMJOTGPAAHGAM-MRVPVSSYSA-N 0 3 200.358 0.684 20 0 BCADHN CCO[C@@H](CNC(=O)[C@](C)(O)CC)CN(C)C ZINC000831781023 587631516 /nfs/dbraw/zinc/63/15/16/587631516.db2.gz FPJKBWIKZIARCZ-CMPLNLGQSA-N 0 3 246.351 0.230 20 0 BCADHN CCCCOC(=O)CNC(=O)C1(N)CCC1 ZINC000831916563 587636335 /nfs/dbraw/zinc/63/63/35/587636335.db2.gz SIMSXIKYKYQMBI-UHFFFAOYSA-N 0 3 228.292 0.327 20 0 BCADHN CC1(C)C[C@H](O)CCN(CC2OCCO2)C1 ZINC000832153125 587645570 /nfs/dbraw/zinc/64/55/70/587645570.db2.gz ORBZLJCECIYVKE-SNVBAGLBSA-N 0 3 229.320 0.842 20 0 BCADHN CC1(C)COC[C@H]1NCC1OCCO1 ZINC000832170132 587647951 /nfs/dbraw/zinc/64/79/51/587647951.db2.gz GWPHOIYEJMQPSF-MRVPVSSYSA-N 0 3 201.266 0.374 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)[C@]1(F)CCNC1 ZINC000832166787 587648093 /nfs/dbraw/zinc/64/80/93/587648093.db2.gz RRDXWCVZVAIMIH-NRPADANISA-N 0 3 218.272 0.228 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCOC(=O)C1CC1 ZINC000832182588 587648462 /nfs/dbraw/zinc/64/84/62/587648462.db2.gz LIGASCIBCVOEHJ-GFCCVEGCSA-N 0 3 242.319 0.573 20 0 BCADHN CCc1nn(C)cc1NC(=O)[C@@]1(F)CCNC1 ZINC000832181998 587648483 /nfs/dbraw/zinc/64/84/83/587648483.db2.gz BNRGTPQAVXTWAQ-LLVKDONJSA-N 0 3 240.282 0.623 20 0 BCADHN COc1cc(NC(=O)C(C)(C)N)ccc1N ZINC000832305557 587653768 /nfs/dbraw/zinc/65/37/68/587653768.db2.gz NHCQOHUXVUWSDZ-UHFFFAOYSA-N 0 3 223.276 0.953 20 0 BCADHN CC1=NO[C@@H](C(=O)N(C)CCN(C)C2CC2)C1 ZINC000832336393 587654961 /nfs/dbraw/zinc/65/49/61/587654961.db2.gz PMCHVNFJKMDCDE-LLVKDONJSA-N 0 3 239.319 0.704 20 0 BCADHN C[NH2+]CCCNC(=O)c1ccc(N)cc1[O-] ZINC000832367356 587656383 /nfs/dbraw/zinc/65/63/83/587656383.db2.gz IBKRFARHPMEYFC-UHFFFAOYSA-N 0 3 223.276 0.314 20 0 BCADHN C[C@@H]1CNCCN1C(=O)c1cccc(CN)c1 ZINC000832465198 587661537 /nfs/dbraw/zinc/66/15/37/587661537.db2.gz GOLJJJLWPHZUQM-SNVBAGLBSA-N 0 3 233.315 0.579 20 0 BCADHN CN(C)CCCS(=O)(=O)Oc1cccnc1 ZINC000867078172 587664445 /nfs/dbraw/zinc/66/44/45/587664445.db2.gz HZAPBHNCCQQRPH-UHFFFAOYSA-N 0 3 244.316 0.742 20 0 BCADHN CCC[C@H](O)CCNC(=O)C1CCN(C)CC1 ZINC000832652098 587673846 /nfs/dbraw/zinc/67/38/46/587673846.db2.gz RZJOQXYCUNJIAL-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN CN1C[C@H]2CCN(C(=O)CC3(O)CCC3)[C@@H]2C1 ZINC000832697866 587678113 /nfs/dbraw/zinc/67/81/13/587678113.db2.gz ISCOYZBUBPKCFX-GHMZBOCLSA-N 0 3 238.331 0.454 20 0 BCADHN C[Si](C)(C)CN1CCOC[C@H]1CC(N)=O ZINC000832751049 587683849 /nfs/dbraw/zinc/68/38/49/587683849.db2.gz KYEYAUWZBYRIOW-SECBINFHSA-N 0 3 230.384 0.440 20 0 BCADHN CON(C)C(=O)CN1CC[C@H](CCCO)C1 ZINC000832783953 587689374 /nfs/dbraw/zinc/68/93/74/587689374.db2.gz UYDPHXCFAURELC-JTQLQIEISA-N 0 3 230.308 0.101 20 0 BCADHN C/C=C/C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000834568839 587759591 /nfs/dbraw/zinc/75/95/91/587759591.db2.gz DPNNVJBUZXVFQI-FVOPLDGLSA-N 0 3 226.320 0.478 20 0 BCADHN CN1CCC(CC(=O)NC[C@H]2C[C@H](O)C2)CC1 ZINC000834757342 587765824 /nfs/dbraw/zinc/76/58/24/587765824.db2.gz AHUISHPSEVWSGO-HAQNSBGRSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(N)cc1[O-] ZINC000834821147 587767672 /nfs/dbraw/zinc/76/76/72/587767672.db2.gz KUJGVQSLVPOZTG-BQBZGAKWSA-N 0 3 223.276 0.440 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N[C@H]1CNCCC1(F)F ZINC000834840042 587768296 /nfs/dbraw/zinc/76/82/96/587768296.db2.gz AYTXFKIEJJUETE-PRJMDXOYSA-N 0 3 218.247 0.756 20 0 BCADHN CCC1(C(=O)N[C@H]2CNCCC2(F)F)COC1 ZINC000834845966 587768394 /nfs/dbraw/zinc/76/83/94/587768394.db2.gz KUOBCKXIOBWXFN-QMMMGPOBSA-N 0 3 248.273 0.526 20 0 BCADHN CC[C@](C)(COC(=O)C1CCN(C)C1=O)OC ZINC000835964477 587821631 /nfs/dbraw/zinc/82/16/31/587821631.db2.gz YWYMFQMFTKJVTK-JOYOIKCWSA-N 0 3 243.303 0.823 20 0 BCADHN C[C@@H](CNC(=O)NOC1CCC1)N(C)C ZINC000836574144 587835302 /nfs/dbraw/zinc/83/53/02/587835302.db2.gz SKWIXGOYSHLXIX-QMMMGPOBSA-N 0 3 215.297 0.720 20 0 BCADHN CCOCCOC(=O)C1CCCN(C)C1=O ZINC000837954679 587905393 /nfs/dbraw/zinc/90/53/93/587905393.db2.gz BIZNEJJLFQOGHT-SECBINFHSA-N 0 3 229.276 0.435 20 0 BCADHN CO[C@H](C)COC(=O)C1CCCN(C)C1=O ZINC000837959935 587905431 /nfs/dbraw/zinc/90/54/31/587905431.db2.gz QKDVJXUDTZPSEC-RKDXNWHRSA-N 0 3 229.276 0.433 20 0 BCADHN COC[C@@H](C)OC(=O)C1CCCN(C)C1=O ZINC000837959075 587906221 /nfs/dbraw/zinc/90/62/21/587906221.db2.gz LTEAUKBRZMJHGK-RKDXNWHRSA-N 0 3 229.276 0.433 20 0 BCADHN C[C@@H]1CC[C@H]1NCCS(=O)(=O)C1CC1 ZINC000840882193 587927881 /nfs/dbraw/zinc/92/78/81/587927881.db2.gz GRNIWPOCCINJRM-PSASIEDQSA-N 0 3 217.334 0.952 20 0 BCADHN C[C@@H]1CN(C(=O)Nc2cnsn2)[C@@H](C)CN1 ZINC000841239028 587949557 /nfs/dbraw/zinc/94/95/57/587949557.db2.gz SSCBXLKTBUCKMF-RQJHMYQMSA-N 0 3 241.320 0.752 20 0 BCADHN CN(C)CCNC(=O)C1SCCCS1 ZINC000841375232 587952834 /nfs/dbraw/zinc/95/28/34/587952834.db2.gz DPLNVAUNNDIGLE-UHFFFAOYSA-N 0 3 234.390 0.860 20 0 BCADHN CC(C)CONC(=O)N1C[C@H](C)NC[C@H]1C ZINC000841862866 587976227 /nfs/dbraw/zinc/97/62/27/587976227.db2.gz CRVXBDOWXXLZOW-VHSXEESVSA-N 0 3 229.324 0.966 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc(N)cc2O)C[C@H](C)N1 ZINC000841854723 587978350 /nfs/dbraw/zinc/97/83/50/587978350.db2.gz GRKLIVQAYSAZAJ-DTORHVGOSA-N 0 3 249.314 0.797 20 0 BCADHN CCCCCCNC(=O)C(=O)N[C@@H](C)CN ZINC000842212543 588007677 /nfs/dbraw/zinc/00/76/77/588007677.db2.gz BXYHYYKOHIZSLO-VIFPVBQESA-N 0 3 229.324 0.146 20 0 BCADHN CC(C)[C@H](F)C(=O)NC[C@](C)(O)CCN(C)C ZINC000842251251 588009174 /nfs/dbraw/zinc/00/91/74/588009174.db2.gz OIDMAOONCAPNHZ-CMPLNLGQSA-N 0 3 248.342 0.799 20 0 BCADHN CC[C@H](C(=O)NCCN1CCC[C@@H]1C)[C@@H](C)O ZINC000842250802 588009202 /nfs/dbraw/zinc/00/92/02/588009202.db2.gz LLVSVBMQUNEBST-TUAOUCFPSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1CCCCCCC1 ZINC000842255280 588009345 /nfs/dbraw/zinc/00/93/45/588009345.db2.gz SGLXAAHCTAXASO-JTQLQIEISA-N 0 3 241.335 0.243 20 0 BCADHN CCN(OC)C(=O)CNC[C@H]1CCSC1 ZINC000842768512 588061425 /nfs/dbraw/zinc/06/14/25/588061425.db2.gz AFESUDWKBIYKGI-SECBINFHSA-N 0 3 232.349 0.739 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000842769560 588061587 /nfs/dbraw/zinc/06/15/87/588061587.db2.gz BTRKYCBEUOPVLS-URLYPYJESA-N 0 3 244.335 0.942 20 0 BCADHN CCCCCC[C@H](O)CNC(CO)CO ZINC000843059086 588077530 /nfs/dbraw/zinc/07/75/30/588077530.db2.gz DMZNGSQDXLKZFA-NSHDSACASA-N 0 3 219.325 0.261 20 0 BCADHN C[C@H](NC[C@H](O)C1CC1)[C@H](O)C(F)(F)F ZINC000843059039 588077877 /nfs/dbraw/zinc/07/78/77/588077877.db2.gz CVVKBLJVCFYGNT-GEVIPFJHSA-N 0 3 227.226 0.659 20 0 BCADHN CC[C@@H](O)CNC[C@@H](O)c1cccnc1 ZINC000843063187 588078422 /nfs/dbraw/zinc/07/84/22/588078422.db2.gz XGBSDMPLIOYLHP-GHMZBOCLSA-N 0 3 210.277 0.476 20 0 BCADHN COC[C@@H](O)CNC[C@H](O)c1ccccc1C ZINC000843075481 588079424 /nfs/dbraw/zinc/07/94/24/588079424.db2.gz UFVCAHDBHRBXMP-AAEUAGOBSA-N 0 3 239.315 0.625 20 0 BCADHN CC[C@H](C)[C@H](O)CNCCS(C)(=O)=O ZINC000843074900 588079771 /nfs/dbraw/zinc/07/97/71/588079771.db2.gz PRKSELKBRJZMFM-DTWKUNHWSA-N 0 3 223.338 0.028 20 0 BCADHN CC(C)[C@H](O)CNC[C@@H](O)c1ccc(F)cn1 ZINC000843080580 588079939 /nfs/dbraw/zinc/07/99/39/588079939.db2.gz JROVIYLLHDSPGP-VXGBXAGGSA-N 0 3 242.294 0.861 20 0 BCADHN CC(C)[C@@H](O)CNC[C@H](O)c1ccc(F)cn1 ZINC000843080579 588080042 /nfs/dbraw/zinc/08/00/42/588080042.db2.gz JROVIYLLHDSPGP-RYUDHWBXSA-N 0 3 242.294 0.861 20 0 BCADHN CCCCCC[C@H](O)CN[C@@H](CO)C(=O)NC ZINC000843079071 588080191 /nfs/dbraw/zinc/08/01/91/588080191.db2.gz UIXFXTFFCCLQJO-QWRGUYRKSA-N 0 3 246.351 0.014 20 0 BCADHN Cc1ccccc1[C@@H](O)CNC[C@](C)(O)CO ZINC000843080066 588080262 /nfs/dbraw/zinc/08/02/62/588080262.db2.gz FNHDQSSHRJHSKW-STQMWFEESA-N 0 3 239.315 0.361 20 0 BCADHN CC[C@@H](O)CNC[C@@H](O)c1ccc(C)o1 ZINC000843087672 588080778 /nfs/dbraw/zinc/08/07/78/588080778.db2.gz MHDJXVQNFQELKJ-NXEZZACHSA-N 0 3 213.277 0.982 20 0 BCADHN CC(C)[C@H](O)C1(CNCCS(C)(=O)=O)CC1 ZINC000843109690 588081985 /nfs/dbraw/zinc/08/19/85/588081985.db2.gz XDCDBIJARFMDQV-JTQLQIEISA-N 0 3 249.376 0.418 20 0 BCADHN CC[C@H](O)CN[C@H]1COc2ccccc2[C@@H]1O ZINC000843117942 588082594 /nfs/dbraw/zinc/08/25/94/588082594.db2.gz VMBNIUWIBLYJSQ-GAFUQQFSSA-N 0 3 237.299 0.842 20 0 BCADHN Cc1ccc([C@@H](O)CN[C@@H]2COC[C@H]2O)cc1 ZINC000843117836 588082599 /nfs/dbraw/zinc/08/25/99/588082599.db2.gz VBDUAVONCBJAAN-FRRDWIJNSA-N 0 3 237.299 0.378 20 0 BCADHN O[C@H](CN[C@H]1COc2ccccc2[C@H]1O)C1CC1 ZINC000843116839 588082640 /nfs/dbraw/zinc/08/26/40/588082640.db2.gz OKKICMVSPHVIDJ-OUCADQQQSA-N 0 3 249.310 0.842 20 0 BCADHN O[C@H]1c2ccccc2OC[C@@H]1NCC1(O)CCC1 ZINC000843117189 588082961 /nfs/dbraw/zinc/08/29/61/588082961.db2.gz OYZKRXTUCFANMI-AAEUAGOBSA-N 0 3 249.310 0.986 20 0 BCADHN O[C@H](CN[C@@H]1COc2ccccc2[C@@H]1O)C1CC1 ZINC000843116836 588083051 /nfs/dbraw/zinc/08/30/51/588083051.db2.gz OKKICMVSPHVIDJ-BZPMIXESSA-N 0 3 249.310 0.842 20 0 BCADHN CCCCCC[C@H](O)CN[C@@H]1COC[C@H]1O ZINC000843114430 588083097 /nfs/dbraw/zinc/08/30/97/588083097.db2.gz CBABGDUDDHGRMT-QJPTWQEYSA-N 0 3 231.336 0.667 20 0 BCADHN CCS(=O)(=O)CCN[C@@H](CO)CC1CCC1 ZINC000843120042 588083753 /nfs/dbraw/zinc/08/37/53/588083753.db2.gz ZXXCEULKOWRORJ-LLVKDONJSA-N 0 3 249.376 0.562 20 0 BCADHN Cn1ccnc1-c1noc([C@]2(F)CCNC2)n1 ZINC000843187542 588091113 /nfs/dbraw/zinc/09/11/13/588091113.db2.gz GBPFEINFMMWNCN-JTQLQIEISA-N 0 3 237.238 0.628 20 0 BCADHN F[C@]1(c2nc(Cc3ccon3)no2)CCNC1 ZINC000843187614 588091282 /nfs/dbraw/zinc/09/12/82/588091282.db2.gz JDGROFGXPICFRS-SNVBAGLBSA-N 0 3 238.222 0.807 20 0 BCADHN CC(C)(CN)c1nc(-c2cocn2)no1 ZINC000843219493 588093771 /nfs/dbraw/zinc/09/37/71/588093771.db2.gz LJTBZGADLDYYPU-UHFFFAOYSA-N 0 3 208.221 0.961 20 0 BCADHN Cn1cc(/C=C/C(=O)NCCN2CCCC2)cn1 ZINC000843352689 588103433 /nfs/dbraw/zinc/10/34/33/588103433.db2.gz SGHGBYUKHJVWFI-SNAWJCMRSA-N 0 3 248.330 0.645 20 0 BCADHN Cn1ccnc1[C@H]1CNCCN1CCF ZINC000843380669 588105745 /nfs/dbraw/zinc/10/57/45/588105745.db2.gz ZXLDPKGFXKIDJQ-SECBINFHSA-N 0 3 212.272 0.336 20 0 BCADHN CCN(OC)C(=O)CNC[C@@H]1C[C@H]1C ZINC000843429997 588108470 /nfs/dbraw/zinc/10/84/70/588108470.db2.gz FQSKTPFSHKOYST-BDAKNGLRSA-N 0 3 200.282 0.642 20 0 BCADHN CCSCCNCC(=O)N(CC)OC ZINC000843430319 588108339 /nfs/dbraw/zinc/10/83/39/588108339.db2.gz IJCVXICFBUTKFK-UHFFFAOYSA-N 0 3 220.338 0.739 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CCCOCC1 ZINC000843429957 588108678 /nfs/dbraw/zinc/10/86/78/588108678.db2.gz DVZDPTGZZRXGDM-JTQLQIEISA-N 0 3 230.308 0.555 20 0 BCADHN CCN(OC)C(=O)CNCC[C@H]1CCOC1 ZINC000843431150 588109248 /nfs/dbraw/zinc/10/92/48/588109248.db2.gz XKDLKLBJCJEJHP-JTQLQIEISA-N 0 3 230.308 0.413 20 0 BCADHN CCc1cc(CNC(=O)[C@@H]2CCCCN2)[nH]n1 ZINC000843436840 588109888 /nfs/dbraw/zinc/10/98/88/588109888.db2.gz KRUFPVSXLXHBON-NSHDSACASA-N 0 3 236.319 0.730 20 0 BCADHN CCOC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)(C)C ZINC000843445647 588110763 /nfs/dbraw/zinc/11/07/63/588110763.db2.gz QIFMBLOWMLZJCP-JGVFFNPUSA-N 0 3 230.308 0.428 20 0 BCADHN CCOC(=O)[C@@H](NC(=O)[C@@H](C)N)C(C)(C)C ZINC000843445646 588110894 /nfs/dbraw/zinc/11/08/94/588110894.db2.gz QIFMBLOWMLZJCP-HTQZYQBOSA-N 0 3 230.308 0.428 20 0 BCADHN CO[C@H](C)CN(C(=O)[C@@]1(F)CCNC1)C(C)C ZINC000843442762 588111038 /nfs/dbraw/zinc/11/10/38/588111038.db2.gz PFMGAMQHFUXAQI-ZYHUDNBSSA-N 0 3 246.326 0.960 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](CC(=O)OC)C1CC1 ZINC000843448006 588111244 /nfs/dbraw/zinc/11/12/44/588111244.db2.gz HZZGFYXRBKWELW-IUCAKERBSA-N 0 3 228.292 0.182 20 0 BCADHN CCNCC(=O)NCC(CC)(CC)CCO ZINC000843448481 588111461 /nfs/dbraw/zinc/11/14/61/588111461.db2.gz OAHXYDBFJWRKPG-UHFFFAOYSA-N 0 3 230.352 0.901 20 0 BCADHN CCNCC(=O)NC[C@H](CO)Cc1ccco1 ZINC000843449974 588111471 /nfs/dbraw/zinc/11/14/71/588111471.db2.gz CBLJYQVGRUKWTR-SNVBAGLBSA-N 0 3 240.303 0.156 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccc[n+]([O-])c2)[C@@H]1C ZINC000843472133 588113682 /nfs/dbraw/zinc/11/36/82/588113682.db2.gz KRZULZBIUVIJNY-NXEZZACHSA-N 0 3 235.287 0.142 20 0 BCADHN CCNCC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000843475150 588113782 /nfs/dbraw/zinc/11/37/82/588113782.db2.gz ZZOONRUBXINICA-GFCCVEGCSA-N 0 3 248.330 0.164 20 0 BCADHN CN(Cc1nccn1C)C(=O)[C@]1(F)CCNC1 ZINC000843487931 588114863 /nfs/dbraw/zinc/11/48/63/588114863.db2.gz MHWRBNRYDAYBMY-NSHDSACASA-N 0 3 240.282 0.080 20 0 BCADHN CCNCC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000843495457 588115303 /nfs/dbraw/zinc/11/53/03/588115303.db2.gz RSPIVDWCVHBNFF-WDEREUQCSA-N 0 3 242.363 0.851 20 0 BCADHN CCNCC(=O)N1CCC(C)(COC)CC1 ZINC000843493188 588115501 /nfs/dbraw/zinc/11/55/01/588115501.db2.gz RHZZGCAOJGHXBE-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@@H](NC(=O)CN)[C@H](O)c1cccc(F)c1 ZINC000843493404 588115726 /nfs/dbraw/zinc/11/57/26/588115726.db2.gz WBNDXZNVTFGAJO-HQJQHLMTSA-N 0 3 226.251 0.323 20 0 BCADHN CCc1cc(NC(=O)[C@@H](N)CC(F)F)nn1C ZINC000843501245 588116522 /nfs/dbraw/zinc/11/65/22/588116522.db2.gz GGADZCHAYYSSPF-ZETCQYMHSA-N 0 3 246.261 0.904 20 0 BCADHN CCc1cc(NC(=O)C(C)(C)N)nn1C ZINC000843502072 588116984 /nfs/dbraw/zinc/11/69/84/588116984.db2.gz XHOSVMIBUYGNDL-UHFFFAOYSA-N 0 3 210.281 0.658 20 0 BCADHN CCNCC(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000843505818 588117082 /nfs/dbraw/zinc/11/70/82/588117082.db2.gz VTCFTAYOHHVRPU-SECBINFHSA-N 0 3 241.335 0.112 20 0 BCADHN CO[C@H](C)CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105325570 588140573 /nfs/dbraw/zinc/14/05/73/588140573.db2.gz XJDTWUBXJQJTGO-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CN1CC=C(CNC(=O)C2(F)CC2)CC1 ZINC000843847494 588144705 /nfs/dbraw/zinc/14/47/05/588144705.db2.gz AYCWTQBOMLTBCI-UHFFFAOYSA-N 0 3 212.268 0.867 20 0 BCADHN C[C@@H]1[C@H](C(=O)[N-]OC[C@@H]2CCOC2)CC[N@@H+]1C ZINC000843862658 588145869 /nfs/dbraw/zinc/14/58/69/588145869.db2.gz FZQZWTGKHQZHPI-GMTAPVOTSA-N 0 3 242.319 0.411 20 0 BCADHN C[C@@H]1[C@H](C(=O)[N-]OC[C@@H]2CCOC2)CC[N@H+]1C ZINC000843862658 588145870 /nfs/dbraw/zinc/14/58/70/588145870.db2.gz FZQZWTGKHQZHPI-GMTAPVOTSA-N 0 3 242.319 0.411 20 0 BCADHN O=C(NC[C@@H]1CCCN1CCCO)C1(F)CC1 ZINC000843898230 588148510 /nfs/dbraw/zinc/14/85/10/588148510.db2.gz MUPPKDZHVIPDHR-JTQLQIEISA-N 0 3 244.310 0.452 20 0 BCADHN COC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000844096055 588167103 /nfs/dbraw/zinc/16/71/03/588167103.db2.gz DTZQMQHXWXJMGH-UHFFFAOYSA-N 0 3 228.292 0.549 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CO1 ZINC000844098408 588167445 /nfs/dbraw/zinc/16/74/45/588167445.db2.gz BECXANCOYLHITD-NXEZZACHSA-N 0 3 226.320 0.764 20 0 BCADHN CCNCC(=O)NCCCn1ccnc1C ZINC000844171474 588170683 /nfs/dbraw/zinc/17/06/83/588170683.db2.gz JEINOKZFJUIXIS-UHFFFAOYSA-N 0 3 224.308 0.307 20 0 BCADHN CCNCC(=O)NCCN1Cc2ccccc2C1 ZINC000844177418 588172233 /nfs/dbraw/zinc/17/22/33/588172233.db2.gz IQNXMKWDFMSVGI-UHFFFAOYSA-N 0 3 247.342 0.728 20 0 BCADHN CCNCC(=O)NCCCNc1ncccn1 ZINC000844174462 588172275 /nfs/dbraw/zinc/17/22/75/588172275.db2.gz DPHYXXBBEYJDSD-UHFFFAOYSA-N 0 3 237.307 0.004 20 0 BCADHN C[C@@H](C(=O)N1CCNC[C@H]1C(F)F)N(C)C ZINC000844197849 588173343 /nfs/dbraw/zinc/17/33/43/588173343.db2.gz YROUEFACRYYICU-YUMQZZPRSA-N 0 3 235.278 0.002 20 0 BCADHN CO[C@@H](C)C(=N)NOCc1snnc1C ZINC000844238912 588176520 /nfs/dbraw/zinc/17/65/20/588176520.db2.gz MGPWIGTUJWVYPB-LURJTMIESA-N 0 3 230.293 0.880 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@]2(F)CCNC2)C[C@H](C)O1 ZINC000844202400 588173982 /nfs/dbraw/zinc/17/39/82/588173982.db2.gz JIFKAWDXGJBDER-WYFGTUCQSA-N 0 3 244.310 0.760 20 0 BCADHN O=C1O[C@@H](CN2CC[C@H](CO)C2)CN1C1CC1 ZINC000844297559 588181489 /nfs/dbraw/zinc/18/14/89/588181489.db2.gz DHCZDQZXEOUDNS-ONGXEEELSA-N 0 3 240.303 0.284 20 0 BCADHN O=C1O[C@@H](CN2CC[C@H](O)C2)CN1C1CC1 ZINC000844294731 588181565 /nfs/dbraw/zinc/18/15/65/588181565.db2.gz YFONZUQWONUDLS-UWVGGRQHSA-N 0 3 226.276 0.036 20 0 BCADHN COCC(C)(C)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844292973 588181567 /nfs/dbraw/zinc/18/15/67/588181567.db2.gz NAKAZGOPXSDFKX-SNVBAGLBSA-N 0 3 242.319 0.984 20 0 BCADHN CCN(CCO)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844292170 588181642 /nfs/dbraw/zinc/18/16/42/588181642.db2.gz FGGWAVCIYHYFDS-JTQLQIEISA-N 0 3 228.292 0.284 20 0 BCADHN CN(C[C@@H]1CN(C2CC2)C(=O)O1)C(C)(C)CO ZINC000844299789 588182278 /nfs/dbraw/zinc/18/22/78/588182278.db2.gz UZHZGXOQGOEGHP-SNVBAGLBSA-N 0 3 242.319 0.672 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CN(C3CC3)C(=O)O2)C[C@@H]1O ZINC000844316355 588183569 /nfs/dbraw/zinc/18/35/69/588183569.db2.gz MMYBSYSNOUFHRX-IEBDPFPHSA-N 0 3 240.303 0.282 20 0 BCADHN C[C@@H]1CN(C[C@H]2CN(C3CC3)C(=O)O2)C[C@H]1O ZINC000844316353 588183695 /nfs/dbraw/zinc/18/36/95/588183695.db2.gz MMYBSYSNOUFHRX-DVVUODLYSA-N 0 3 240.303 0.282 20 0 BCADHN CCC(=O)CCN1C[C@H](O)C[C@H]1COC ZINC000844395640 588189499 /nfs/dbraw/zinc/18/94/99/588189499.db2.gz WSXUUUSXYYUYAV-GXSJLCMTSA-N 0 3 215.293 0.437 20 0 BCADHN O=[S@]1C[C@@H]2C[C@H]1CN2CCCCCCO ZINC000844430782 588192643 /nfs/dbraw/zinc/19/26/43/588192643.db2.gz DPOFEVKQOKLOAD-PGUXBMHVSA-N 0 3 231.361 0.744 20 0 BCADHN FC1(F)[C@H]2CN(CCN3CCOCC3)C[C@H]21 ZINC000844451808 588195427 /nfs/dbraw/zinc/19/54/27/588195427.db2.gz PZLVBZXXESYDDV-AOOOYVTPSA-N 0 3 232.274 0.516 20 0 BCADHN CCOCC[C@@H](O)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844464607 588197381 /nfs/dbraw/zinc/19/73/81/588197381.db2.gz XQPJTFABZRJXBP-BBBLOLIVSA-N 0 3 235.274 0.971 20 0 BCADHN COC/C(C)=C\C(=O)NC[C@@H](C)N(C)C ZINC000845184508 588223352 /nfs/dbraw/zinc/22/33/52/588223352.db2.gz NZTXHKCXXAYNIX-ABRRARGCSA-N 0 3 214.309 0.645 20 0 BCADHN CCN(CCO)CCNC(=O)/C=C(/C)COC ZINC000845951059 588251606 /nfs/dbraw/zinc/25/16/06/588251606.db2.gz GPHGJSIJHOCMRL-LUAWRHEFSA-N 0 3 244.335 0.010 20 0 BCADHN CCON(C)C(=O)CNCC(C)(C)COC ZINC000846062905 588254908 /nfs/dbraw/zinc/25/49/08/588254908.db2.gz LHPJORYGEYPKLO-UHFFFAOYSA-N 0 3 232.324 0.659 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000846062166 588255067 /nfs/dbraw/zinc/25/50/67/588255067.db2.gz BNTKIPSYVJIKQM-KXUCPTDWSA-N 0 3 230.308 0.552 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000846062870 588255073 /nfs/dbraw/zinc/25/50/73/588255073.db2.gz KXSFGKASEXVOCZ-JGPRNRPPSA-N 0 3 244.335 0.942 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CCO[C@@H](C)C1 ZINC000846065897 588255183 /nfs/dbraw/zinc/25/51/83/588255183.db2.gz VQCTVMLFCUOGNS-UWVGGRQHSA-N 0 3 230.308 0.553 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CCO[C@H](CC)C1 ZINC000846065463 588255338 /nfs/dbraw/zinc/25/53/38/588255338.db2.gz WAFWCCNPRQBZBA-WDEREUQCSA-N 0 3 244.335 0.944 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CCO[C@@H](C)C1 ZINC000846065899 588255359 /nfs/dbraw/zinc/25/53/59/588255359.db2.gz VQCTVMLFCUOGNS-VHSXEESVSA-N 0 3 230.308 0.553 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CC[C@@H]1C ZINC000846066411 588255392 /nfs/dbraw/zinc/25/53/92/588255392.db2.gz XPNHEQSGEVFGMU-DTWKUNHWSA-N 0 3 200.282 0.784 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CC[C@H]1C ZINC000846066409 588255434 /nfs/dbraw/zinc/25/54/34/588255434.db2.gz XPNHEQSGEVFGMU-BDAKNGLRSA-N 0 3 200.282 0.784 20 0 BCADHN Cc1cc([C@@H](C)N[C@H]2C[C@@H](C(N)=O)C2)n(C)n1 ZINC000846193246 588259840 /nfs/dbraw/zinc/25/98/40/588259840.db2.gz LSDVQSNRSGWPKZ-BBBLOLIVSA-N 0 3 236.319 0.643 20 0 BCADHN CCNCC(=O)N[C@H](CC)[C@H]1CCCO1 ZINC000846684587 588282491 /nfs/dbraw/zinc/28/24/91/588282491.db2.gz NFLJCJRQOQTUDG-NXEZZACHSA-N 0 3 214.309 0.670 20 0 BCADHN C[C@@H](N)C(=O)NC[C@](C)(O)c1ccsc1 ZINC000846683504 588282673 /nfs/dbraw/zinc/28/26/73/588282673.db2.gz HVSQKIQVIRPTSN-XCBNKYQSSA-N 0 3 228.317 0.419 20 0 BCADHN NCc1cccc(C(=O)N2CCCCN2)c1 ZINC000846684149 588282698 /nfs/dbraw/zinc/28/26/98/588282698.db2.gz DZHFPOBSLVEXQP-UHFFFAOYSA-N 0 3 219.288 0.886 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@](C)(O)c1ccco1 ZINC000846687150 588282859 /nfs/dbraw/zinc/28/28/59/588282859.db2.gz NLPMNNXDIIQXOG-LDYMZIIASA-N 0 3 226.276 0.341 20 0 BCADHN C[C@]1(CCNC(=O)CN)C[C@@]1(F)Cl ZINC000846688077 588282868 /nfs/dbraw/zinc/28/28/68/588282868.db2.gz QZIVONXYFDKQFI-YUMQZZPRSA-N 0 3 208.664 0.766 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000846691312 588283045 /nfs/dbraw/zinc/28/30/45/588283045.db2.gz ONMSZVWXXBDKQU-IANFPDNMSA-N 0 3 224.304 0.563 20 0 BCADHN CCNCC(=O)N[C@H]1CNc2ccccc2C1 ZINC000846692195 588283104 /nfs/dbraw/zinc/28/31/04/588283104.db2.gz WIBIHXUFMFRRIS-LLVKDONJSA-N 0 3 233.315 0.749 20 0 BCADHN CN[C@@H]1CC(=O)N(c2ccc(N(C)C)cc2)C1=O ZINC000846703441 588283597 /nfs/dbraw/zinc/28/35/97/588283597.db2.gz NZELNXOQCSNTAO-LLVKDONJSA-N 0 3 247.298 0.604 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000846701567 588283662 /nfs/dbraw/zinc/28/36/62/588283662.db2.gz YRUNSCXLMXIUIR-OOZYFLPDSA-N 0 3 216.231 0.591 20 0 BCADHN C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(N)cc1[O-] ZINC000846741780 588284196 /nfs/dbraw/zinc/28/41/96/588284196.db2.gz DOCVGPOBXLQUJB-WCBMZHEXSA-N 0 3 249.314 0.926 20 0 BCADHN CN(C)C1(CNC(=O)OC[C@H]2CCCO2)CC1 ZINC000867438914 588288183 /nfs/dbraw/zinc/28/81/83/588288183.db2.gz LUOVORYQVUVRAO-SNVBAGLBSA-N 0 3 242.319 0.986 20 0 BCADHN CCN(C[C@@H]1CN(CC)C(=O)O1)[C@@H]1CCOC1 ZINC000846914706 588296652 /nfs/dbraw/zinc/29/66/52/588296652.db2.gz MBKULKXOORZATR-GHMZBOCLSA-N 0 3 242.319 0.938 20 0 BCADHN CON1CCN(CC[C@H]2CCCO2)CC1 ZINC000846972928 588298693 /nfs/dbraw/zinc/29/86/93/588298693.db2.gz VVXDMWFKPPLEQV-LLVKDONJSA-N 0 3 214.309 0.735 20 0 BCADHN CON1CCN(CC2(O)CCCCC2)CC1 ZINC000846974782 588299567 /nfs/dbraw/zinc/29/95/67/588299567.db2.gz DOLALWMUIMGKGT-UHFFFAOYSA-N 0 3 228.336 0.861 20 0 BCADHN CC[C@@H](CO)C(=O)N1CCCN(C)C[C@H]1CC ZINC000846988567 588300613 /nfs/dbraw/zinc/30/06/13/588300613.db2.gz MTIFYQPVHPMBME-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@H](CO)C(=O)N1CCCN(C)C[C@H]1CC ZINC000846988571 588300804 /nfs/dbraw/zinc/30/08/04/588300804.db2.gz MTIFYQPVHPMBME-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN CC1=NO[C@@H](C(=O)NC2(CN(C)C)CCC2)C1 ZINC000847116214 588306878 /nfs/dbraw/zinc/30/68/78/588306878.db2.gz WNVMKJSJPONCCZ-SNVBAGLBSA-N 0 3 239.319 0.752 20 0 BCADHN CCO/C=C/C(=O)NC[C@H](C)N(C)C ZINC000847331905 588310930 /nfs/dbraw/zinc/31/09/30/588310930.db2.gz JHPBKPRBZOMWRH-UCUJLANTSA-N 0 3 200.282 0.603 20 0 BCADHN CC(=O)NCC(=O)OC[C@@H](C)N1CCCCC1 ZINC000847964277 588344954 /nfs/dbraw/zinc/34/49/54/588344954.db2.gz ZRVHXJGLYRWFOC-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN Cc1cc[nH]c1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306310 588371768 /nfs/dbraw/zinc/37/17/68/588371768.db2.gz DQOUHXVUHBHDSE-WDEREUQCSA-N 0 3 249.314 0.214 20 0 BCADHN CS/C=C/C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848305679 588371862 /nfs/dbraw/zinc/37/18/62/588371862.db2.gz FINGZCDCXGDFDI-QOHYJFSASA-N 0 3 242.344 0.141 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000848398464 588377602 /nfs/dbraw/zinc/37/76/02/588377602.db2.gz UPMHWAYFFUKYGU-GZMMTYOYSA-N 0 3 240.278 0.583 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](CC(=O)OC)C1CC1 ZINC000848406073 588378146 /nfs/dbraw/zinc/37/81/46/588378146.db2.gz ICEPXKVYSOHPJY-IONNQARKSA-N 0 3 228.292 0.052 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000848432556 588384338 /nfs/dbraw/zinc/38/43/38/588384338.db2.gz JMYRVRGYNLONJJ-SDDRHHMPSA-N 0 3 238.331 0.894 20 0 BCADHN CC(=O)NCCCNCc1cnc(Cl)n1C ZINC000848524491 588392420 /nfs/dbraw/zinc/39/24/20/588392420.db2.gz JFCDRIJATRGJLN-UHFFFAOYSA-N 0 3 244.726 0.689 20 0 BCADHN CC[C@H](CO)NCc1cnc(Cl)n1C ZINC000848524133 588392671 /nfs/dbraw/zinc/39/26/71/588392671.db2.gz APRZJDRLWZMEFS-SSDOTTSWSA-N 0 3 217.700 0.934 20 0 BCADHN C[C@@H](O)CNCc1cnc(Cl)n1C ZINC000848526435 588393496 /nfs/dbraw/zinc/39/34/96/588393496.db2.gz XFIGFKCJLJBUNN-ZCFIWIBFSA-N 0 3 203.673 0.544 20 0 BCADHN C[C@H](CC(N)=O)NCc1cnc(Cl)n1C ZINC000848543705 588394908 /nfs/dbraw/zinc/39/49/08/588394908.db2.gz VZTVPZVZZZCFSP-ZCFIWIBFSA-N 0 3 230.699 0.427 20 0 BCADHN CCn1ncc(CNCCCN2CCC2)n1 ZINC000848543544 588394937 /nfs/dbraw/zinc/39/49/37/588394937.db2.gz HAWHUNXZOZDQRU-UHFFFAOYSA-N 0 3 223.324 0.483 20 0 BCADHN Cn1c(CN[C@H]2CCOC2)cnc1Cl ZINC000848544329 588395095 /nfs/dbraw/zinc/39/50/95/588395095.db2.gz PXITVHIHVQITGF-ZETCQYMHSA-N 0 3 215.684 0.952 20 0 BCADHN COC[C@H](CNCc1cnc(Cl)n1C)OC ZINC000848548136 588395821 /nfs/dbraw/zinc/39/58/21/588395821.db2.gz UUDNBFWIHGWVQU-VIFPVBQESA-N 0 3 247.726 0.825 20 0 BCADHN COC[C@@H](CNCc1cnc(Cl)n1C)OC ZINC000848548132 588395852 /nfs/dbraw/zinc/39/58/52/588395852.db2.gz UUDNBFWIHGWVQU-SECBINFHSA-N 0 3 247.726 0.825 20 0 BCADHN COCC[C@H](CO)NCc1cnc(Cl)n1C ZINC000848551140 588396815 /nfs/dbraw/zinc/39/68/15/588396815.db2.gz DXIDUIKZHLCROY-MRVPVSSYSA-N 0 3 247.726 0.561 20 0 BCADHN C[C@@H](N[C@H]1CCc2c(nnn2C)C1)c1ncc[nH]1 ZINC000848562427 588397921 /nfs/dbraw/zinc/39/79/21/588397921.db2.gz DGRWWWCZNBJBSV-BDAKNGLRSA-N 0 3 246.318 0.746 20 0 BCADHN CCOC[C@@H](C)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848573253 588398557 /nfs/dbraw/zinc/39/85/57/588398557.db2.gz YTTTVCGGMUYXAJ-KOLCDFICSA-N 0 3 242.319 0.984 20 0 BCADHN Cn1ncc(CN[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000848575359 588399184 /nfs/dbraw/zinc/39/91/84/588399184.db2.gz PDWPMQAURUCYJA-CHWSQXEVSA-N 0 3 249.362 0.922 20 0 BCADHN NC[C@@H](NC(=O)NOCC1CC1)C(F)(F)F ZINC000848598512 588401249 /nfs/dbraw/zinc/40/12/49/588401249.db2.gz LOZLFUFTCIRPDU-ZCFIWIBFSA-N 0 3 241.213 0.517 20 0 BCADHN CC[C@H](O)CNC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848678305 588404983 /nfs/dbraw/zinc/40/49/83/588404983.db2.gz KYBVMBHOEQSPFO-VHSXEESVSA-N 0 3 228.292 0.330 20 0 BCADHN CC[C@H](O)CNC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848678304 588405094 /nfs/dbraw/zinc/40/50/94/588405094.db2.gz KYBVMBHOEQSPFO-UWVGGRQHSA-N 0 3 228.292 0.330 20 0 BCADHN CCCNC(=O)CNC(=N)Nc1ccccn1 ZINC000848982277 588424029 /nfs/dbraw/zinc/42/40/29/588424029.db2.gz XRFPQFLNWCJDJA-UHFFFAOYSA-N 0 3 235.291 0.544 20 0 BCADHN CN(C)CCn1cc(-c2ccc(CO)nc2)nn1 ZINC000849136890 588453150 /nfs/dbraw/zinc/45/31/50/588453150.db2.gz LWHDNKTVXADMCZ-UHFFFAOYSA-N 0 3 247.302 0.394 20 0 BCADHN CN(C)CCn1cc(C[C@H](O)C(C)(C)C)nn1 ZINC000849136916 588453810 /nfs/dbraw/zinc/45/38/10/588453810.db2.gz MBSQAQORVLIAAQ-NSHDSACASA-N 0 3 240.351 0.789 20 0 BCADHN CC[C@](C)(O)Cc1cn(CCN(C)C)nn1 ZINC000849138053 588454161 /nfs/dbraw/zinc/45/41/61/588454161.db2.gz XKNQGEMSYYXTKU-NSHDSACASA-N 0 3 226.324 0.543 20 0 BCADHN CN(C)CCn1cc(C2(O)CCC2)nn1 ZINC000849137930 588454232 /nfs/dbraw/zinc/45/42/32/588454232.db2.gz UQYJIQDGRMCQRA-UHFFFAOYSA-N 0 3 210.281 0.211 20 0 BCADHN CN(C)CCn1cc(-c2ccncc2)nn1 ZINC000849138170 588454354 /nfs/dbraw/zinc/45/43/54/588454354.db2.gz ZXSCGZSAQWRDCV-UHFFFAOYSA-N 0 3 217.276 0.902 20 0 BCADHN C[C@@H](N)c1cn(-c2ccnc(CO)c2)nn1 ZINC000849148980 588455845 /nfs/dbraw/zinc/45/58/45/588455845.db2.gz ARAMUZMBUAPMPC-SSDOTTSWSA-N 0 3 219.248 0.174 20 0 BCADHN CCC1(Cn2cc([C@@H](C)N)nn2)COC1 ZINC000849154571 588456856 /nfs/dbraw/zinc/45/68/56/588456856.db2.gz WXXGHZRUXOUJGR-MRVPVSSYSA-N 0 3 210.281 0.724 20 0 BCADHN CN1CC[C@@H](NC(=S)NCC2CC2)C1 ZINC000849254922 588465017 /nfs/dbraw/zinc/46/50/17/588465017.db2.gz QOQIWHYBIZHFFD-SECBINFHSA-N 0 3 213.350 0.565 20 0 BCADHN CN(C)CCNC(=S)N[C@H]1C=CCC1 ZINC000849280398 588467985 /nfs/dbraw/zinc/46/79/85/588467985.db2.gz UKSQEQXEYGQWPD-VIFPVBQESA-N 0 3 213.350 0.731 20 0 BCADHN CN(C)CCNC(=S)N[C@@H](CO)C1CCC1 ZINC000849272292 588468611 /nfs/dbraw/zinc/46/86/11/588468611.db2.gz GOTJUJZIHJQRLQ-JTQLQIEISA-N 0 3 245.392 0.173 20 0 BCADHN CN1C[C@H]2CCN(C(=O)NCC(F)F)[C@H]2C1 ZINC000849333370 588473462 /nfs/dbraw/zinc/47/34/62/588473462.db2.gz NQXDCQOSROFNKT-SFYZADRCSA-N 0 3 233.262 0.597 20 0 BCADHN CCC(CC)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000849896323 588508554 /nfs/dbraw/zinc/50/85/54/588508554.db2.gz UFOFGROKQVWKHI-QMMMGPOBSA-N 0 3 248.348 0.830 20 0 BCADHN CN1CC[C@@H](NCc2cc3n(n2)CCC3)C1 ZINC000850117901 588520931 /nfs/dbraw/zinc/52/09/31/588520931.db2.gz ANDGDNFNACWBCX-SNVBAGLBSA-N 0 3 220.320 0.623 20 0 BCADHN CC[C@@H]1C[C@@H](NC[C@@H](O)c2cnn(C)c2)CO1 ZINC000850160664 588522160 /nfs/dbraw/zinc/52/21/60/588522160.db2.gz XRBIVDSOEACIRS-IJLUTSLNSA-N 0 3 239.319 0.611 20 0 BCADHN COC[C@@H](O)CNCc1ccnn1CC1CC1 ZINC000850287061 588534770 /nfs/dbraw/zinc/53/47/70/588534770.db2.gz SJFFPXRTAAVCBX-LBPRGKRZSA-N 0 3 239.319 0.390 20 0 BCADHN O=[S@@](CCN[C@H]1CCOC1)CC(F)(F)F ZINC000850348499 588537012 /nfs/dbraw/zinc/53/70/12/588537012.db2.gz NLRAVUIUIKJNOL-ZIDLFYJRSA-N 0 3 245.266 0.676 20 0 BCADHN COc1cncc(CN[C@@H](CO)CCF)c1 ZINC000850338033 588537571 /nfs/dbraw/zinc/53/75/71/588537571.db2.gz DKHFBQDZJJQTIR-SNVBAGLBSA-N 0 3 228.267 0.900 20 0 BCADHN CC[C@H]1C[C@@H](NCC(=O)N(CC)OC)CO1 ZINC000850338529 588537618 /nfs/dbraw/zinc/53/76/18/588537618.db2.gz ITTHTODMFMVBKH-ZJUUUORDSA-N 0 3 230.308 0.553 20 0 BCADHN CC[C@@H]1COC[C@@H]1NCc1cnnn1CC ZINC000850383661 588542688 /nfs/dbraw/zinc/54/26/88/588542688.db2.gz SDUYQPUSMAJVKJ-KOLCDFICSA-N 0 3 224.308 0.813 20 0 BCADHN C[C@H](Cn1cncn1)NC[C@@H](O)c1ccco1 ZINC000850426327 588545476 /nfs/dbraw/zinc/54/54/76/588545476.db2.gz YESNYMWHNYORLN-NXEZZACHSA-N 0 3 236.275 0.583 20 0 BCADHN C[C@@H](Cn1cncn1)NC[C@@H](O)c1ccco1 ZINC000850426337 588545481 /nfs/dbraw/zinc/54/54/81/588545481.db2.gz YESNYMWHNYORLN-VHSXEESVSA-N 0 3 236.275 0.583 20 0 BCADHN C[C@@H](Cn1cncn1)NCC1(C)OCCO1 ZINC000850447525 588547709 /nfs/dbraw/zinc/54/77/09/588547709.db2.gz GUXSPIOURWCRGJ-VIFPVBQESA-N 0 3 226.280 0.019 20 0 BCADHN C[C@H](CSCCF)NCc1cnnn1C ZINC000850468656 588548961 /nfs/dbraw/zinc/54/89/61/588548961.db2.gz JPZRCYIBRMYTID-MRVPVSSYSA-N 0 3 232.328 0.996 20 0 BCADHN NC[C@H](NC(=O)N[C@@H]1C=CCC1)C(F)(F)F ZINC000850754728 588565203 /nfs/dbraw/zinc/56/52/03/588565203.db2.gz UVBAIUMVRKXDSH-RQJHMYQMSA-N 0 3 237.225 0.894 20 0 BCADHN NC[C@@H](NC(=O)N[C@H]1C=CCC1)C(F)(F)F ZINC000850754632 588565325 /nfs/dbraw/zinc/56/53/25/588565325.db2.gz UVBAIUMVRKXDSH-NKWVEPMBSA-N 0 3 237.225 0.894 20 0 BCADHN COC[C@@H](OC)C(=O)O[C@@H](C)CN1CCCC1 ZINC000851103313 588590779 /nfs/dbraw/zinc/59/07/79/588590779.db2.gz LUJRTRQVRQBNTC-WDEREUQCSA-N 0 3 245.319 0.675 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000851644805 588611857 /nfs/dbraw/zinc/61/18/57/588611857.db2.gz XLJNYEJTCYOWQK-QUARPLMYSA-N 0 3 208.305 0.886 20 0 BCADHN CCNCC(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000851641658 588612460 /nfs/dbraw/zinc/61/24/60/588612460.db2.gz OEHSXJWDGWEPHI-UWVGGRQHSA-N 0 3 212.293 0.376 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1noc2ccccc12 ZINC000851641624 588612471 /nfs/dbraw/zinc/61/24/71/588612471.db2.gz OPYFUWLQYUHRNI-VHSXEESVSA-N 0 3 245.282 0.834 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000851640905 588612673 /nfs/dbraw/zinc/61/26/73/588612673.db2.gz CRKYEDJOYYPBMN-JXUBOQSCSA-N 0 3 210.277 0.114 20 0 BCADHN CC1(C)C[C@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851648821 588613048 /nfs/dbraw/zinc/61/30/48/588613048.db2.gz OWFHGZDJAYQFJS-DJLDLDEBSA-N 0 3 214.284 0.930 20 0 BCADHN C/C=C(/C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851648542 588613241 /nfs/dbraw/zinc/61/32/41/588613241.db2.gz KAWJDVFQKQOOIL-ALCBPQMDSA-N 0 3 200.257 0.850 20 0 BCADHN CC1(C)OC[C@H](CN2CCC(C(N)=O)CC2)O1 ZINC000851718882 588616743 /nfs/dbraw/zinc/61/67/43/588616743.db2.gz REZSIFSWDJXZRS-JTQLQIEISA-N 0 3 242.319 0.335 20 0 BCADHN O[C@@H](CN1CCC[C@@H](O)C1)c1ccccn1 ZINC000851719172 588616847 /nfs/dbraw/zinc/61/68/47/588616847.db2.gz WIPVLCUNNVTQSK-PWSUYJOCSA-N 0 3 222.288 0.572 20 0 BCADHN CN1CCCN(C[C@H]2CCC(=O)O2)CC1 ZINC000851720826 588617166 /nfs/dbraw/zinc/61/71/66/588617166.db2.gz UOWMQFAXWKYTFL-SNVBAGLBSA-N 0 3 212.293 0.330 20 0 BCADHN CC1(C)OC[C@@H](CN2CCC[C@H](CO)C2)O1 ZINC000851720391 588617380 /nfs/dbraw/zinc/61/73/80/588617380.db2.gz IFJPPUIQGLICLT-WDEREUQCSA-N 0 3 229.320 0.842 20 0 BCADHN CN1CCN(CC[C@H]2COC(C)(C)O2)CC1 ZINC000851721112 588617422 /nfs/dbraw/zinc/61/74/22/588617422.db2.gz BHFYJFKASDJSOW-NSHDSACASA-N 0 3 228.336 0.775 20 0 BCADHN COCCN(C)C[C@@H]1COC(C)(C)O1 ZINC000851732835 588619807 /nfs/dbraw/zinc/61/98/07/588619807.db2.gz DEHVWQCYCPYABM-SECBINFHSA-N 0 3 203.282 0.716 20 0 BCADHN c1n[nH]nc1CCN1CCC(c2cn[nH]c2)CC1 ZINC000851742413 588621500 /nfs/dbraw/zinc/62/15/00/588621500.db2.gz HFMPVGDKZUKNLL-UHFFFAOYSA-N 0 3 246.318 0.950 20 0 BCADHN OC[C@@H]1CCCN1C[C@@H](O)c1ccccn1 ZINC000851752795 588623634 /nfs/dbraw/zinc/62/36/34/588623634.db2.gz MXHVTECYZFWXIJ-CMPLNLGQSA-N 0 3 222.288 0.572 20 0 BCADHN CC1(C)OC[C@@H](CN(CCCO)C2CC2)O1 ZINC000851776575 588626425 /nfs/dbraw/zinc/62/64/25/588626425.db2.gz UQNOMZMDETTYFH-LLVKDONJSA-N 0 3 229.320 0.985 20 0 BCADHN CC1(C)OC[C@H](CN2CC[C@@H](CO)C2)O1 ZINC000851781551 588627867 /nfs/dbraw/zinc/62/78/67/588627867.db2.gz ZZONKIIFDYYYRR-ZJUUUORDSA-N 0 3 215.293 0.452 20 0 BCADHN C[C@@H](O)CCN(C)C[C@@H](O)c1ccccn1 ZINC000851785521 588628564 /nfs/dbraw/zinc/62/85/64/588628564.db2.gz SXZSRYLJKUTXEU-ZYHUDNBSSA-N 0 3 224.304 0.818 20 0 BCADHN NC(=O)C[C@H]1CCCN(CCOC(F)F)C1 ZINC000851798753 588630171 /nfs/dbraw/zinc/63/01/71/588630171.db2.gz NHYOGWDALZWOSW-MRVPVSSYSA-N 0 3 236.262 0.813 20 0 BCADHN CO[C@H]1CCN(C[C@@H](O)c2ccccn2)C1 ZINC000851799359 588630183 /nfs/dbraw/zinc/63/01/83/588630183.db2.gz OSSPDSVZDUAHLU-CMPLNLGQSA-N 0 3 222.288 0.836 20 0 BCADHN CC1(C)OC[C@@H](CN2CCC(C)(O)CC2)O1 ZINC000851809479 588632119 /nfs/dbraw/zinc/63/21/19/588632119.db2.gz QWSNTETUQOSQBL-SNVBAGLBSA-N 0 3 229.320 0.985 20 0 BCADHN COC[C@@](C)(CCO)NCCOC(F)F ZINC000851808948 588632140 /nfs/dbraw/zinc/63/21/40/588632140.db2.gz RRNYNSAJSKWRSQ-SECBINFHSA-N 0 3 227.251 0.603 20 0 BCADHN O=C1CC[C@H](CN2CCSC[C@H]2CCO)O1 ZINC000851810132 588632350 /nfs/dbraw/zinc/63/23/50/588632350.db2.gz XJWNILYHCPCUGS-NXEZZACHSA-N 0 3 245.344 0.492 20 0 BCADHN CC(C)(C)[C@H](NC[C@@H]1COC(C)(C)O1)C(N)=O ZINC000851851410 588635028 /nfs/dbraw/zinc/63/50/28/588635028.db2.gz NPBIFMGVPZEACH-RKDXNWHRSA-N 0 3 244.335 0.628 20 0 BCADHN COC(=O)C[C@@H]1CCCN1C[C@H]1CCC(=O)O1 ZINC000851859146 588635663 /nfs/dbraw/zinc/63/56/63/588635663.db2.gz KCHKTGLECMOFGJ-VHSXEESVSA-N 0 3 241.287 0.720 20 0 BCADHN C[C@H]1COCCN(CCc2cn[nH]n2)C1 ZINC000851865231 588636252 /nfs/dbraw/zinc/63/62/52/588636252.db2.gz AWIVVKUBZCTZNE-SECBINFHSA-N 0 3 210.281 0.316 20 0 BCADHN CC[C@@H]1CN(C[C@@H](O)c2ccccn2)C[C@H]1O ZINC000851881016 588639611 /nfs/dbraw/zinc/63/96/11/588639611.db2.gz VUAQODNKQIZEOR-RAIGVLPGSA-N 0 3 236.315 0.818 20 0 BCADHN CNC(=O)[C@@H](NC[C@H]1COC(C)(C)O1)C(C)C ZINC000851903376 588642194 /nfs/dbraw/zinc/64/21/94/588642194.db2.gz UCZCFYOJMNOTCD-UWVGGRQHSA-N 0 3 244.335 0.498 20 0 BCADHN CN(C[C@@H]1COC(C)(C)O1)[C@@]1(CO)CCOC1 ZINC000851917545 588643201 /nfs/dbraw/zinc/64/32/01/588643201.db2.gz HAFXPPJQGRPCSM-ZYHUDNBSSA-N 0 3 245.319 0.221 20 0 BCADHN CN(C[C@H]1COC(C)(C)O1)[C@]1(CO)CCOC1 ZINC000851917543 588643240 /nfs/dbraw/zinc/64/32/40/588643240.db2.gz HAFXPPJQGRPCSM-JQWIXIFHSA-N 0 3 245.319 0.221 20 0 BCADHN CN(CCOC(F)F)CC1(CO)CC1 ZINC000851968782 588644590 /nfs/dbraw/zinc/64/45/90/588644590.db2.gz RNCSLRBPSXZYIW-UHFFFAOYSA-N 0 3 209.236 0.930 20 0 BCADHN CCn1ncc(CN[C@H](C)[C@@H]2CCOC2)n1 ZINC000851932229 588645092 /nfs/dbraw/zinc/64/50/92/588645092.db2.gz DAMAIHVYOHEIOX-NXEZZACHSA-N 0 3 224.308 0.813 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CCN3CCOC[C@@H]3C2)C1 ZINC000851934805 588645856 /nfs/dbraw/zinc/64/58/56/588645856.db2.gz GUZQOAQJCMLURE-FRRDWIJNSA-N 0 3 240.347 0.570 20 0 BCADHN CN(C[C@H](O)c1ccccn1)CC1(O)CCC1 ZINC000851935957 588645862 /nfs/dbraw/zinc/64/58/62/588645862.db2.gz ZFSDYPFOXUNSMY-LBPRGKRZSA-N 0 3 236.315 0.962 20 0 BCADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1C[C@@H]1CCC(=O)O1 ZINC000851966890 588648384 /nfs/dbraw/zinc/64/83/84/588648384.db2.gz SRQTZWJWPISEBF-VLEAKVRGSA-N 0 3 227.304 0.926 20 0 BCADHN CC1(C)OC[C@H](CN2C[C@H]3C[C@@]3(CO)C2)O1 ZINC000851968604 588649050 /nfs/dbraw/zinc/64/90/50/588649050.db2.gz ONZONPBXQJYRJF-SCVCMEIPSA-N 0 3 227.304 0.452 20 0 BCADHN CC1(C)CN(C[C@@H]2CCC(=O)O2)CC[C@H]1O ZINC000851969438 588649416 /nfs/dbraw/zinc/64/94/16/588649416.db2.gz ZWYDCCFJYXAHAW-VHSXEESVSA-N 0 3 227.304 0.785 20 0 BCADHN CO[C@@H]1CC[C@H](N2C[C@@H](C)O[C@@H](CO)C2)C1 ZINC000851975983 588650439 /nfs/dbraw/zinc/65/04/39/588650439.db2.gz WERXNGWZCJXBPC-WRWGMCAJSA-N 0 3 229.320 0.636 20 0 BCADHN CN(CCCCO)C[C@@H]1COC(C)(C)O1 ZINC000851976375 588650709 /nfs/dbraw/zinc/65/07/09/588650709.db2.gz DBYBWUAHFPJIKO-SNVBAGLBSA-N 0 3 217.309 0.842 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)CCOC(F)F ZINC000851988105 588651410 /nfs/dbraw/zinc/65/14/10/588651410.db2.gz SUDFSABHOSACGJ-SECBINFHSA-N 0 3 241.278 0.943 20 0 BCADHN O=C1CC[C@H](CN2CCC23CCOCC3)O1 ZINC000851988350 588652552 /nfs/dbraw/zinc/65/25/52/588652552.db2.gz LZFQHCVBUKZOPR-SNVBAGLBSA-N 0 3 225.288 0.947 20 0 BCADHN O=C1C[C@]2(CCN(CCOC(F)F)C2)CN1 ZINC000851997559 588653600 /nfs/dbraw/zinc/65/36/00/588653600.db2.gz LANDBRSCMMILDI-SNVBAGLBSA-N 0 3 234.246 0.438 20 0 BCADHN C[C@@]1(C(N)=O)CCN(C[C@@H](O)c2ccccn2)C1 ZINC000852002933 588654467 /nfs/dbraw/zinc/65/44/67/588654467.db2.gz GDPRHVYCWFLBOV-DGCLKSJQSA-N 0 3 249.314 0.312 20 0 BCADHN CN1CCN(C[C@H]2CCC(=O)O2)CC1(C)C ZINC000852007838 588654918 /nfs/dbraw/zinc/65/49/18/588654918.db2.gz DYTCNLPFMIMEJI-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@H](O)c1ccccn1 ZINC000852012726 588655552 /nfs/dbraw/zinc/65/55/52/588655552.db2.gz NUQIGZLVOZCXGG-ADEWGFFLSA-N 0 3 249.314 0.229 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CC[C@@](F)(CO)C2)C1 ZINC000852019721 588655802 /nfs/dbraw/zinc/65/58/02/588655802.db2.gz FFVYPGHPCHFWJP-MXWKQRLJSA-N 0 3 217.284 0.960 20 0 BCADHN CN(C[C@H]1CCC(=O)O1)[C@H]1CCCOC1 ZINC000852041043 588657220 /nfs/dbraw/zinc/65/72/20/588657220.db2.gz YDZRCCDPLNFVNT-VHSXEESVSA-N 0 3 213.277 0.803 20 0 BCADHN CN(C[C@@H]1CCC(=O)O1)[C@H]1CCCOC1 ZINC000852041042 588657247 /nfs/dbraw/zinc/65/72/47/588657247.db2.gz YDZRCCDPLNFVNT-UWVGGRQHSA-N 0 3 213.277 0.803 20 0 BCADHN COCCOCCN(C)C[C@H]1COC(C)(C)O1 ZINC000852053625 588657863 /nfs/dbraw/zinc/65/78/63/588657863.db2.gz CFOWNEIMRNNMSH-NSHDSACASA-N 0 3 247.335 0.733 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(C[C@@H]3CCC(=O)O3)C[C@@H]21 ZINC000852076051 588659886 /nfs/dbraw/zinc/65/98/86/588659886.db2.gz PSDLIFQQNOXKPH-WYOJIJJFSA-N 0 3 239.271 0.043 20 0 BCADHN CCN(C[C@@H]1CCC(=O)O1)[C@@H](C)CO ZINC000852095165 588660736 /nfs/dbraw/zinc/66/07/36/588660736.db2.gz KGDZFSZFNCNARC-IUCAKERBSA-N 0 3 201.266 0.395 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1C[C@@H]1CCC(=O)O1 ZINC000852089513 588660746 /nfs/dbraw/zinc/66/07/46/588660746.db2.gz OXOUSKMZRMPAQB-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(C[C@@H](O)c1ccccn1)[C@@H](C)CO ZINC000852095050 588661757 /nfs/dbraw/zinc/66/17/57/588661757.db2.gz HSFULHBNNIJNTF-CMPLNLGQSA-N 0 3 224.304 0.818 20 0 BCADHN O[C@]1(C(F)F)CCN(CCc2cn[nH]n2)C1 ZINC000852122316 588665452 /nfs/dbraw/zinc/66/54/52/588665452.db2.gz BAHGFMXAHMOJRK-SECBINFHSA-N 0 3 232.234 0.049 20 0 BCADHN O[C@]1(C(F)F)CCN(CCc2c[nH]nn2)C1 ZINC000852122316 588665453 /nfs/dbraw/zinc/66/54/53/588665453.db2.gz BAHGFMXAHMOJRK-SECBINFHSA-N 0 3 232.234 0.049 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1C[C@@H](O)c1ccccn1 ZINC000852123616 588665595 /nfs/dbraw/zinc/66/55/95/588665595.db2.gz RUBQIEGMGVRIGW-RAIGVLPGSA-N 0 3 236.315 0.960 20 0 BCADHN CCN1OC[C@H](N[C@@H]2CCC2(C)C)C1=O ZINC000852125541 588665652 /nfs/dbraw/zinc/66/56/52/588665652.db2.gz SKWAOFZFGFUZPE-DTWKUNHWSA-N 0 3 212.293 0.927 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C[C@H]1COC(C)(C)O1 ZINC000852140962 588666661 /nfs/dbraw/zinc/66/66/61/588666661.db2.gz LZLDJEMPAWZBMC-KXUCPTDWSA-N 0 3 215.293 0.593 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCCOC(F)F ZINC000852145774 588667241 /nfs/dbraw/zinc/66/72/41/588667241.db2.gz DFBJVYRPLKWIRL-HTQZYQBOSA-N 0 3 225.235 0.619 20 0 BCADHN CO[C@@H]1CC[C@H](N[C@H](CO)c2ccnn2C)C1 ZINC000852161192 588668508 /nfs/dbraw/zinc/66/85/08/588668508.db2.gz LLVFHNOIDOFESV-HBNTYKKESA-N 0 3 239.319 0.611 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@@H]1CCC(=O)O1 ZINC000852184003 588670166 /nfs/dbraw/zinc/67/01/66/588670166.db2.gz DKAZNBVYLWVFPI-BBBLOLIVSA-N 0 3 213.277 0.537 20 0 BCADHN CN(CCNC(=O)NCc1ncccn1)C1CC1 ZINC000852187234 588670482 /nfs/dbraw/zinc/67/04/82/588670482.db2.gz ONTUUDYYYWPJBH-UHFFFAOYSA-N 0 3 249.318 0.370 20 0 BCADHN CNC(=O)[C@H]1CCN(CCOC(F)F)C1 ZINC000852184646 588670697 /nfs/dbraw/zinc/67/06/97/588670697.db2.gz NYBRRMQXRANABQ-ZETCQYMHSA-N 0 3 222.235 0.294 20 0 BCADHN C[C@H](O)CN1CCC2=C(CCC(=O)N2)C1 ZINC000852294771 588676783 /nfs/dbraw/zinc/67/67/83/588676783.db2.gz JAXGNEKYOZAPRE-QMMMGPOBSA-N 0 3 210.277 0.237 20 0 BCADHN CC1(CN2CCC3=C(CCC(=O)N3)C2)COC1 ZINC000852294796 588676941 /nfs/dbraw/zinc/67/69/41/588676941.db2.gz JZJVQPBQAQPOLO-UHFFFAOYSA-N 0 3 236.315 0.893 20 0 BCADHN O=C1CCC2=C(CCN([C@H]3CCOC3)C2)N1 ZINC000852295720 588677437 /nfs/dbraw/zinc/67/74/37/588677437.db2.gz JIGCFDDKSDQPQL-JTQLQIEISA-N 0 3 222.288 0.645 20 0 BCADHN CC(=O)CCN1CC[C@H](Cn2ccnn2)C1 ZINC000852316639 588678108 /nfs/dbraw/zinc/67/81/08/588678108.db2.gz CZPHELFDVZJNIC-NSHDSACASA-N 0 3 222.292 0.579 20 0 BCADHN COC[C@@H](NCC(OC)OC)C1CCOCC1 ZINC000852321462 588678329 /nfs/dbraw/zinc/67/83/29/588678329.db2.gz OMEHYLCAFJIPJB-LLVKDONJSA-N 0 3 247.335 0.637 20 0 BCADHN COCCN(CCF)C(=O)NC[C@H](C)N(C)C ZINC000852372069 588680277 /nfs/dbraw/zinc/68/02/77/588680277.db2.gz RBXDRUSUFWKOEN-JTQLQIEISA-N 0 3 249.330 0.564 20 0 BCADHN CON(C)C(=O)CN1CCCC[C@H]1[C@H](C)CO ZINC000852424497 588681419 /nfs/dbraw/zinc/68/14/19/588681419.db2.gz CYELMYRSZQGQPL-MNOVXSKESA-N 0 3 244.335 0.489 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NCCN1CCCC1 ZINC000852417745 588681604 /nfs/dbraw/zinc/68/16/04/588681604.db2.gz XBMVYZCPSCXPEO-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN CCC(=O)CCN1CC[C@@H](N2CCOC2=O)C1 ZINC000852438843 588681938 /nfs/dbraw/zinc/68/19/38/588681938.db2.gz XZDPHTBVWOJFES-SNVBAGLBSA-N 0 3 240.303 0.882 20 0 BCADHN CCC(=O)CCN1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000852495709 588685313 /nfs/dbraw/zinc/68/53/13/588685313.db2.gz MNVAQXUSAIFGDN-PWSUYJOCSA-N 0 3 238.331 0.956 20 0 BCADHN O=C1CC[C@@H]2CN(CCOC(F)F)CC[C@@H]2N1 ZINC000852493618 588685508 /nfs/dbraw/zinc/68/55/08/588685508.db2.gz APLDSEMUJKQVQX-BDAKNGLRSA-N 0 3 248.273 0.826 20 0 BCADHN CN(C[C@@H]1CCC(=O)O1)C[C@@H]1COCCO1 ZINC000852498709 588685906 /nfs/dbraw/zinc/68/59/06/588685906.db2.gz PAOHEOZFAIXLNQ-VHSXEESVSA-N 0 3 229.276 0.039 20 0 BCADHN COC(CCN(C)C[C@H]1COCCO1)OC ZINC000852498920 588686021 /nfs/dbraw/zinc/68/60/21/588686021.db2.gz SWKBRNKVODNXHC-JTQLQIEISA-N 0 3 233.308 0.343 20 0 BCADHN O=C1CC[C@@H](N2CCC[C@@H](CCF)C2)C(=O)N1 ZINC000852532725 588688024 /nfs/dbraw/zinc/68/80/24/588688024.db2.gz LSSKCZWRSHRNST-VHSXEESVSA-N 0 3 242.294 0.863 20 0 BCADHN O=C1CC[C@@H](N2CCC[C@H](CCF)C2)C(=O)N1 ZINC000852532723 588688471 /nfs/dbraw/zinc/68/84/71/588688471.db2.gz LSSKCZWRSHRNST-NXEZZACHSA-N 0 3 242.294 0.863 20 0 BCADHN COC(CN1CC[C@@]2(O)C[C@H]2C1)OC ZINC000852537911 588689232 /nfs/dbraw/zinc/68/92/32/588689232.db2.gz QCJPCUHIXUIWJI-WCBMZHEXSA-N 0 3 201.266 0.062 20 0 BCADHN O=C1O[C@@H](CN2CC[C@@]3(O)C[C@H]3C2)CC12CC2 ZINC000852537548 588689291 /nfs/dbraw/zinc/68/92/91/588689291.db2.gz HUYQETOVENVDFJ-OPQQBVKSSA-N 0 3 237.299 0.539 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1C[C@H](O)c1ccccn1 ZINC000852557915 588689863 /nfs/dbraw/zinc/68/98/63/588689863.db2.gz BUQVKKTYYSXGIU-RTXFEEFZSA-N 0 3 236.315 0.960 20 0 BCADHN C[C@H](O)[C@H]1CCCN1C[C@@H](O)c1ccccn1 ZINC000852557912 588689988 /nfs/dbraw/zinc/68/99/88/588689988.db2.gz BUQVKKTYYSXGIU-CYZMBNFOSA-N 0 3 236.315 0.960 20 0 BCADHN CCN1C[C@@H](CN2CCC[C@@H]2[C@@H](C)O)OC1=O ZINC000852559028 588690202 /nfs/dbraw/zinc/69/02/02/588690202.db2.gz NLFDZHTURSVLCJ-OUAUKWLOSA-N 0 3 242.319 0.672 20 0 BCADHN COC[C@H](CN(C)CCN(C)C(=O)OC)OC ZINC000852567499 588690810 /nfs/dbraw/zinc/69/08/10/588690810.db2.gz PHUUABBVSFAGSA-JTQLQIEISA-N 0 3 248.323 0.278 20 0 BCADHN COC(=O)N(C)CCN(C)C[C@H]1CCCO1 ZINC000852571878 588691284 /nfs/dbraw/zinc/69/12/84/588691284.db2.gz HIJGQEDPTZZMMI-SNVBAGLBSA-N 0 3 230.308 0.795 20 0 BCADHN CONC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000852601903 588692765 /nfs/dbraw/zinc/69/27/65/588692765.db2.gz BNJBBDWILGBSPS-JTQLQIEISA-N 0 3 229.324 0.967 20 0 BCADHN C[S@](=O)CCN1CC[C@@H]2COC[C@H]2C1 ZINC000852664096 588694562 /nfs/dbraw/zinc/69/45/62/588694562.db2.gz BWJBCRAKVSLUGN-RULNRJAQSA-N 0 3 217.334 0.333 20 0 BCADHN O=C1CC[C@H](CN2CC[C@H]3COC[C@H]3C2)O1 ZINC000852664373 588694593 /nfs/dbraw/zinc/69/45/93/588694593.db2.gz FFXQOTHKBQXGTD-HBNTYKKESA-N 0 3 225.288 0.660 20 0 BCADHN O=C1O[C@@H](CN2CCC3(COC3)C2)CC12CC2 ZINC000852683345 588695526 /nfs/dbraw/zinc/69/55/26/588695526.db2.gz ILYTVJIEVGNJKS-SNVBAGLBSA-N 0 3 237.299 0.804 20 0 BCADHN COCCCN1CCC(N2CCOC2=O)CC1 ZINC000852721345 588697854 /nfs/dbraw/zinc/69/78/54/588697854.db2.gz NMOVHKAGAHIBOL-UHFFFAOYSA-N 0 3 242.319 0.940 20 0 BCADHN CC[C@H](O)CN1CCC(N2CCOC2=O)CC1 ZINC000852720838 588698001 /nfs/dbraw/zinc/69/80/01/588698001.db2.gz WPIIYJMJMBOUDM-NSHDSACASA-N 0 3 242.319 0.674 20 0 BCADHN FC(F)OCCN1CCNC[C@@H]1C(F)F ZINC000852748743 588699292 /nfs/dbraw/zinc/69/92/92/588699292.db2.gz BXAPZTNDHPDJBI-ZCFIWIBFSA-N 0 3 230.205 0.765 20 0 BCADHN c1ccc([C@@H]2CCN(C[C@@H]3CNCCO3)C2)nc1 ZINC000852750223 588699874 /nfs/dbraw/zinc/69/98/74/588699874.db2.gz ONISAQTVKNWIBH-OLZOCXBDSA-N 0 3 247.342 0.859 20 0 BCADHN CC[C@@H](O)CN1CCC(NC(=O)OC)CC1 ZINC000852765645 588700836 /nfs/dbraw/zinc/70/08/36/588700836.db2.gz SZZXUYCTTXJVKW-SNVBAGLBSA-N 0 3 230.308 0.578 20 0 BCADHN COC(=O)NC1CCN(CC[C@@H](C)O)CC1 ZINC000852763070 588701055 /nfs/dbraw/zinc/70/10/55/588701055.db2.gz GMIGJSJJTIXAOC-SECBINFHSA-N 0 3 230.308 0.578 20 0 BCADHN CCC[C@@H](O)CN1CCC(NC(=O)OC)CC1 ZINC000852765884 588701076 /nfs/dbraw/zinc/70/10/76/588701076.db2.gz WXUVBKXXGHBROE-LLVKDONJSA-N 0 3 244.335 0.968 20 0 BCADHN COC(=O)NC1CCN(C[C@@H](C)CO)CC1 ZINC000852768185 588701133 /nfs/dbraw/zinc/70/11/33/588701133.db2.gz UWPGNRFZHPAOKG-SECBINFHSA-N 0 3 230.308 0.435 20 0 BCADHN CC(C)CCNC(=O)[C@H]1NCC12CCOCC2 ZINC000852774258 588701961 /nfs/dbraw/zinc/70/19/61/588701961.db2.gz RIULWPWSROZTOI-LLVKDONJSA-N 0 3 240.347 0.917 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@H](C2OCCO2)C1 ZINC000110843606 588702494 /nfs/dbraw/zinc/70/24/94/588702494.db2.gz QTUGCRIFKWNIEZ-UWVGGRQHSA-N 0 3 242.319 0.335 20 0 BCADHN C[C@H](NN1C[C@@H](C)N[C@H](C)C1)c1ncnn1C ZINC000852796591 588703537 /nfs/dbraw/zinc/70/35/37/588703537.db2.gz GDIPFWQTVVJZCB-BBBLOLIVSA-N 0 3 238.339 0.063 20 0 BCADHN C[C@H](NC(=O)C1=NO[C@@H](CN)C1)c1ccccc1 ZINC000852799856 588703897 /nfs/dbraw/zinc/70/38/97/588703897.db2.gz JMTQCNVANWSWEZ-GXSJLCMTSA-N 0 3 247.298 0.967 20 0 BCADHN C[C@@H]1C[C@H](C)CN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852798908 588704058 /nfs/dbraw/zinc/70/40/58/588704058.db2.gz CDYCDTLKIMOHNP-AEJSXWLSSA-N 0 3 239.319 0.595 20 0 BCADHN C[C@@H]1C[C@H](C)CN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852798914 588704094 /nfs/dbraw/zinc/70/40/94/588704094.db2.gz CDYCDTLKIMOHNP-KXUCPTDWSA-N 0 3 239.319 0.595 20 0 BCADHN NC[C@@H]1CC(C(=O)N2CCc3ccccc32)=NO1 ZINC000852799910 588704188 /nfs/dbraw/zinc/70/41/88/588704188.db2.gz JEPNNZHMSLVUSP-JTQLQIEISA-N 0 3 245.282 0.679 20 0 BCADHN NC[C@H]1CC(C(=O)NCc2ccccc2)=NO1 ZINC000852800180 588704206 /nfs/dbraw/zinc/70/42/06/588704206.db2.gz MIUKSORUEAKIJX-SNVBAGLBSA-N 0 3 233.271 0.406 20 0 BCADHN NC[C@H]1CC(C(=O)NC2CCCCCC2)=NO1 ZINC000852800933 588704374 /nfs/dbraw/zinc/70/43/74/588704374.db2.gz VKPQHOLDTQDGON-SNVBAGLBSA-N 0 3 239.319 0.929 20 0 BCADHN CN(C(=O)C1=NO[C@H](CN)C1)C1CCCC1 ZINC000852805517 588704593 /nfs/dbraw/zinc/70/45/93/588704593.db2.gz BTIJUTMVSRFCCK-VIFPVBQESA-N 0 3 225.292 0.491 20 0 BCADHN CC(C)CN(C(=O)C1=NO[C@@H](CN)C1)C(C)C ZINC000852814155 588705108 /nfs/dbraw/zinc/70/51/08/588705108.db2.gz JHCWRWBRAKCOMR-SNVBAGLBSA-N 0 3 241.335 0.983 20 0 BCADHN C[C@H](C1CC1)N(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852814259 588705266 /nfs/dbraw/zinc/70/52/66/588705266.db2.gz SQPMJOOZZJKHPD-VXNVDRBHSA-N 0 3 225.292 0.347 20 0 BCADHN CC(C)CCN(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852811509 588705288 /nfs/dbraw/zinc/70/52/88/588705288.db2.gz OYRQWBTVIQNKFD-VIFPVBQESA-N 0 3 227.308 0.595 20 0 BCADHN CC[C@@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852815871 588705385 /nfs/dbraw/zinc/70/53/85/588705385.db2.gz CRBSDPGTSBEEKH-ZJUUUORDSA-N 0 3 239.319 0.739 20 0 BCADHN CCC[C@H](C)N(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852816460 588705494 /nfs/dbraw/zinc/70/54/94/588705494.db2.gz VVYLHGVSMMXNNO-DTWKUNHWSA-N 0 3 227.308 0.737 20 0 BCADHN CC1(NC(=O)C2=NO[C@H](CN)C2)CCCCC1 ZINC000852818646 588705556 /nfs/dbraw/zinc/70/55/56/588705556.db2.gz YKERKXMCJMZFDJ-VIFPVBQESA-N 0 3 239.319 0.929 20 0 BCADHN C[C@@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852823088 588705891 /nfs/dbraw/zinc/70/58/91/588705891.db2.gz INRSBAUQRKFKQL-NXEZZACHSA-N 0 3 239.319 0.739 20 0 BCADHN C[C@@H]1CCC[C@@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852835358 588706951 /nfs/dbraw/zinc/70/69/51/588706951.db2.gz LMGRMNDHVQXAQE-HLTSFMKQSA-N 0 3 225.292 0.395 20 0 BCADHN NC[C@@H]1CC(C(=O)N2Cc3ccccc3C2)=NO1 ZINC000852836236 588707010 /nfs/dbraw/zinc/70/70/10/588707010.db2.gz ZDQKVPDSFVQCEC-NSHDSACASA-N 0 3 245.282 0.632 20 0 BCADHN CCN(CC1CC1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852839252 588707032 /nfs/dbraw/zinc/70/70/32/588707032.db2.gz AXVIBBHZQAVJQW-SECBINFHSA-N 0 3 225.292 0.349 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852838063 588707061 /nfs/dbraw/zinc/70/70/61/588707061.db2.gz SYIDHYXLMSTIQQ-RKDXNWHRSA-N 0 3 227.308 0.595 20 0 BCADHN CC1(C)C[C@@H]1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852840870 588707550 /nfs/dbraw/zinc/70/75/50/588707550.db2.gz ZTRSAGNHYUIBNJ-HTQZYQBOSA-N 0 3 225.292 0.252 20 0 BCADHN C[C@@H]1CC[C@@H](C)N(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852842753 588707586 /nfs/dbraw/zinc/70/75/86/588707586.db2.gz HQGGSKFSYIEXEI-OPRDCNLKSA-N 0 3 239.319 0.737 20 0 BCADHN CC[C@@H]1C[C@H](C)CN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852843408 588707650 /nfs/dbraw/zinc/70/76/50/588707650.db2.gz XEUYZHWPRCABSJ-IVZWLZJFSA-N 0 3 239.319 0.737 20 0 BCADHN C[C@@H]1CCC[C@H](CNC(=O)[C@@]2(F)CCNC2)O1 ZINC000852855124 588708483 /nfs/dbraw/zinc/70/84/83/588708483.db2.gz FLJKPQMBSCRMJC-CKYFFXLPSA-N 0 3 244.310 0.762 20 0 BCADHN CNCC(=O)N[C@H]1C[C@H](O)c2ccccc21 ZINC000852855578 588708566 /nfs/dbraw/zinc/70/85/66/588708566.db2.gz FWYYSDCJQZAODI-QWRGUYRKSA-N 0 3 220.272 0.500 20 0 BCADHN C[C@@]1(CNC(=O)[C@]2(F)CCNC2)CC1(F)F ZINC000852855112 588708674 /nfs/dbraw/zinc/70/86/74/588708674.db2.gz FDASBXKHRJKHIM-IUCAKERBSA-N 0 3 236.237 0.850 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000852856468 588708829 /nfs/dbraw/zinc/70/88/29/588708829.db2.gz QQIOLFHSNYEGNJ-BKDNQFJXSA-N 0 3 220.272 0.628 20 0 BCADHN Cc1cccc(CNC(=O)C2=NO[C@H](CN)C2)n1 ZINC000852859724 588709190 /nfs/dbraw/zinc/70/91/90/588709190.db2.gz YGQIHLLULFKRAG-JTQLQIEISA-N 0 3 248.286 0.110 20 0 BCADHN C[C@]12COC[C@H]1CN(C(=O)[C@@]1(F)CCNC1)C2 ZINC000852860329 588709287 /nfs/dbraw/zinc/70/92/87/588709287.db2.gz BWONHEJBXDLZJM-ADEWGFFLSA-N 0 3 242.294 0.183 20 0 BCADHN Nc1ccc(C(=O)NCC23CC(C2)C[NH2+]3)c([O-])c1 ZINC000852865668 588709421 /nfs/dbraw/zinc/70/94/21/588709421.db2.gz LDXNFOXEKZQQPY-UHFFFAOYSA-N 0 3 247.298 0.456 20 0 BCADHN Cc1cncc(NC(=O)C2=NO[C@H](CN)C2)c1 ZINC000852868357 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XTEHTUUOOSHKND-UHFFFAOYSA-N 0 3 247.302 0.780 20 0 BCADHN C[C@H](O)CCNCc1cnc2c(cnn2C)c1 ZINC000865464916 589437734 /nfs/dbraw/zinc/43/77/34/589437734.db2.gz QLHWIFHESYMLGN-VIFPVBQESA-N 0 3 234.303 0.829 20 0 BCADHN C[S@@](=O)CCCNCc1ccc(=O)[nH]c1 ZINC000865466966 589438555 /nfs/dbraw/zinc/43/85/55/589438555.db2.gz SDASLFYJWORZMN-OAHLLOKOSA-N 0 3 228.317 0.645 20 0 BCADHN C[C@H](CCO)NCc1cnc2c(cnn2C)c1 ZINC000865471236 589438987 /nfs/dbraw/zinc/43/89/87/589438987.db2.gz PCVKBNWVSOBFJC-SECBINFHSA-N 0 3 234.303 0.829 20 0 BCADHN Cn1ncc2cc(CNC3(CO)CC3)cnc21 ZINC000865510368 589442177 /nfs/dbraw/zinc/44/21/77/589442177.db2.gz SMDUYNAWGGNJFR-UHFFFAOYSA-N 0 3 232.287 0.583 20 0 BCADHN Cc1nc(CCNCc2cn(C3CC3)cn2)n[nH]1 ZINC000865516923 589442751 /nfs/dbraw/zinc/44/27/51/589442751.db2.gz HNGMDGUUTUDVOM-UHFFFAOYSA-N 0 3 246.318 0.977 20 0 BCADHN Cc1n[nH]c(CCNCc2cn(C3CC3)cn2)n1 ZINC000865516923 589442753 /nfs/dbraw/zinc/44/27/53/589442753.db2.gz HNGMDGUUTUDVOM-UHFFFAOYSA-N 0 3 246.318 0.977 20 0 BCADHN Cn1ncc2cc(CN[C@H]3C[C@@H](O)C3)cnc21 ZINC000865594862 589449934 /nfs/dbraw/zinc/44/99/34/589449934.db2.gz YIZNTLHKLUKZCA-PHIMTYICSA-N 0 3 232.287 0.581 20 0 BCADHN NC(=O)CC1(CNCc2cn(C3CC3)cn2)CC1 ZINC000865605669 589450260 /nfs/dbraw/zinc/45/02/60/589450260.db2.gz FHWQANIYHLLZAY-UHFFFAOYSA-N 0 3 248.330 0.963 20 0 BCADHN Cc1ccc(CNCC[C@@H](O)C(F)F)nn1 ZINC000865687678 589455996 /nfs/dbraw/zinc/45/59/96/589455996.db2.gz KIKOUBQYYPDGJL-SECBINFHSA-N 0 3 231.246 0.891 20 0 BCADHN COc1ccsc1CNC[C@H](O)[C@H](C)O ZINC000865738634 589459653 /nfs/dbraw/zinc/45/96/53/589459653.db2.gz HZRXIHBRLGMJQU-YUMQZZPRSA-N 0 3 231.317 0.588 20 0 BCADHN Cc1cccn2c(CNC[C@@H](O)[C@H](C)O)cnc12 ZINC000865738678 589459705 /nfs/dbraw/zinc/45/97/05/589459705.db2.gz JCSPCQWZGLPVKF-CMPLNLGQSA-N 0 3 249.314 0.474 20 0 BCADHN Cc1cccc2ncc(CNC[C@H](O)[C@@H](C)O)n21 ZINC000865738667 589459853 /nfs/dbraw/zinc/45/98/53/589459853.db2.gz ITFQCROKRJTPDE-PWSUYJOCSA-N 0 3 249.314 0.474 20 0 BCADHN Cc1nn(C(C)C)cc1CNC[C@H](O)[C@@H](C)O ZINC000865738077 589459873 /nfs/dbraw/zinc/45/98/73/589459873.db2.gz BVNJXHVQDNUDKA-PWSUYJOCSA-N 0 3 241.335 0.604 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1ccccc1N(C)C ZINC000865741975 589460285 /nfs/dbraw/zinc/46/02/85/589460285.db2.gz VMEADEDBPNKVBW-MFKMUULPSA-N 0 3 238.331 0.584 20 0 BCADHN O=C1OC[C@@]2(CNCC3(F)CC3)COCCN12 ZINC000865770328 589461437 /nfs/dbraw/zinc/46/14/37/589461437.db2.gz KIMDGTUZDMTUMS-LLVKDONJSA-N 0 3 244.266 0.299 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)Cc1nc[nH]n1 ZINC000865799498 589462243 /nfs/dbraw/zinc/46/22/43/589462243.db2.gz CZVQPCJYYHGAJT-VIFPVBQESA-N 0 3 239.323 0.050 20 0 BCADHN CCCN1CC[C@@H](NC(=O)c2nccc(N)n2)C1 ZINC000866022416 589472844 /nfs/dbraw/zinc/47/28/44/589472844.db2.gz YADFEDDSOOAFRC-SECBINFHSA-N 0 3 249.318 0.103 20 0 BCADHN CN(C)CCN(C)C(=O)c1cnc2nccn2c1 ZINC000866311571 589485742 /nfs/dbraw/zinc/48/57/42/589485742.db2.gz SRQBQCPXYBCYFD-UHFFFAOYSA-N 0 3 247.302 0.363 20 0 BCADHN CON(C)S(=O)(=O)CCCN1CCCC1 ZINC000866417991 589491606 /nfs/dbraw/zinc/49/16/06/589491606.db2.gz DQTMFHNVAOMBJO-UHFFFAOYSA-N 0 3 236.337 0.295 20 0 BCADHN Cc1nccnc1CN1CCNC[C@@H]1C(F)F ZINC000866666337 589509337 /nfs/dbraw/zinc/50/93/37/589509337.db2.gz RKFZOCWHPPPGIY-SNVBAGLBSA-N 0 3 242.273 0.824 20 0 BCADHN Cc1cc(S(=O)(=O)[N-][C@@H](C)C[NH3+])sn1 ZINC000866757271 589517942 /nfs/dbraw/zinc/51/79/42/589517942.db2.gz OKTLHMVRFYIREH-LURJTMIESA-N 0 3 235.334 0.077 20 0 BCADHN CCCS(=O)(=O)N1CC[C@H]2[C@H](CCN2C)C1 ZINC000867809441 589535176 /nfs/dbraw/zinc/53/51/76/589535176.db2.gz RLVBCQDRTZLONC-MNOVXSKESA-N 0 3 246.376 0.752 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1CCC12CCOCC2 ZINC000867992457 589542725 /nfs/dbraw/zinc/54/27/25/589542725.db2.gz FINVVJOOOYGIII-UWVGGRQHSA-N 0 3 226.320 0.657 20 0 BCADHN CN(C)CC1(NC(=O)[C@H]2CCC(=O)O2)CCC1 ZINC000868020693 589544191 /nfs/dbraw/zinc/54/41/91/589544191.db2.gz XOSQQCJYGMFZPG-SECBINFHSA-N 0 3 240.303 0.293 20 0 BCADHN C[C@H](N)C(=O)Nc1ccn(CCF)n1 ZINC000868025998 589544254 /nfs/dbraw/zinc/54/42/54/589544254.db2.gz YNWDYNDFDUUUEX-LURJTMIESA-N 0 3 200.217 0.138 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccn(CCF)n1 ZINC000868026092 589545058 /nfs/dbraw/zinc/54/50/58/589545058.db2.gz FLJPCMDLDBJYQD-NKWVEPMBSA-N 0 3 212.228 0.138 20 0 BCADHN C[C@@H](CNCc1cnnn1C)N1CCCCC1 ZINC000121973646 589545358 /nfs/dbraw/zinc/54/53/58/589545358.db2.gz IYOBAGOJXRINRX-NSHDSACASA-N 0 3 237.351 0.779 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1cccc2c1NC(=O)CO2 ZINC000868053001 589547462 /nfs/dbraw/zinc/54/74/62/589547462.db2.gz HWEAFNSBIDEKJJ-NKWVEPMBSA-N 0 3 247.254 0.303 20 0 BCADHN CC(C)(N)C(=O)N1CC[C@H]2CSC[C@H]2C1 ZINC000868071294 589547653 /nfs/dbraw/zinc/54/76/53/589547653.db2.gz ZJORDEZVYFVOSI-DTWKUNHWSA-N 0 3 228.361 0.935 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000868065611 589547696 /nfs/dbraw/zinc/54/76/96/589547696.db2.gz CCZAYTMNTLOTRB-KTWSDMTRSA-N 0 3 238.331 0.509 20 0 BCADHN CS[C@H](C)CNCCS(C)(=O)=O ZINC000122075040 589552144 /nfs/dbraw/zinc/55/21/44/589552144.db2.gz INHJOGKXYCLRGX-SSDOTTSWSA-N 0 3 211.352 0.372 20 0 BCADHN CNC(=S)N1CC[C@@H](N2CCCC2)C1 ZINC000122148964 589557323 /nfs/dbraw/zinc/55/73/23/589557323.db2.gz ICUVMZHPIJATFP-SECBINFHSA-N 0 3 213.350 0.661 20 0 BCADHN CC(C)(O)CN1CC[C@H](NC(=O)CCCF)C1 ZINC000869774683 589629512 /nfs/dbraw/zinc/62/95/12/589629512.db2.gz APGBNTPWMPRIOX-JTQLQIEISA-N 0 3 246.326 0.698 20 0 BCADHN CCCC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869786179 589630179 /nfs/dbraw/zinc/63/01/79/589630179.db2.gz VNFZTBGSZINQHG-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@@H](NC(C)=O)C(=O)O[C@@H](CC)CN(C)C ZINC000870545412 589672982 /nfs/dbraw/zinc/67/29/82/589672982.db2.gz MDHPDXRKYAUBQR-WDEREUQCSA-N 0 3 244.335 0.785 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)c1ccnn1C ZINC000870552615 589675185 /nfs/dbraw/zinc/67/51/85/589675185.db2.gz WSNHFSJOIOCQCI-VIFPVBQESA-N 0 3 225.292 0.917 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)[C@H]1CCC(=O)N1C ZINC000870553535 589675579 /nfs/dbraw/zinc/67/55/79/589675579.db2.gz LZMGPIIEZVGXEX-NXEZZACHSA-N 0 3 242.319 0.491 20 0 BCADHN COC[C@@H](OC)C(=O)O[C@H](CN(C)C)C(C)C ZINC000870564697 589676212 /nfs/dbraw/zinc/67/62/12/589676212.db2.gz KTGIZAHGPVHZMZ-GHMZBOCLSA-N 0 3 247.335 0.777 20 0 BCADHN [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccncc2[O-])C1 ZINC000870884463 589694714 /nfs/dbraw/zinc/69/47/14/589694714.db2.gz XXODHTZGFSDPIU-RKDXNWHRSA-N 0 3 235.287 0.665 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@H]2CSC[C@H]2C1 ZINC000870980061 589704468 /nfs/dbraw/zinc/70/44/68/589704468.db2.gz IRAQEQJFLOXROX-LPEHRKFASA-N 0 3 228.361 0.806 20 0 BCADHN CN[C@@H](C)C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000870982254 589705199 /nfs/dbraw/zinc/70/51/99/589705199.db2.gz FCCSQNJJGNBFAE-DTWKUNHWSA-N 0 3 214.309 0.214 20 0 BCADHN CC(C)NCC(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000870982525 589705457 /nfs/dbraw/zinc/70/54/57/589705457.db2.gz IRQZZSKHJZNBGB-SNVBAGLBSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000870985170 589706261 /nfs/dbraw/zinc/70/62/61/589706261.db2.gz JWQKIMLMUIGAHK-DTWKUNHWSA-N 0 3 214.309 0.343 20 0 BCADHN O=C(Nc1ccn(CCF)n1)[C@@]1(F)CCNC1 ZINC000871010932 589711086 /nfs/dbraw/zinc/71/10/86/589711086.db2.gz LPFVQXWWYRUAAB-SNVBAGLBSA-N 0 3 244.245 0.493 20 0 BCADHN C[C@@H](NC(=O)[C@]1(F)CCNC1)c1ccnn1C ZINC000871011834 589711259 /nfs/dbraw/zinc/71/12/59/589711259.db2.gz ZVLUXAYAYFNORF-KCJUWKMLSA-N 0 3 240.282 0.299 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1cc(CC2CC2)[nH]n1 ZINC000871018047 589712668 /nfs/dbraw/zinc/71/26/68/589712668.db2.gz APMUUKVQGKHBPG-DTWKUNHWSA-N 0 3 220.276 0.648 20 0 BCADHN CN[C@@H](C)C(=O)N1CCN(C)c2ncccc2C1 ZINC000871019866 589713036 /nfs/dbraw/zinc/71/30/36/589713036.db2.gz FLEVDCNXFUFANO-JTQLQIEISA-N 0 3 248.330 0.468 20 0 BCADHN CN1CCN(C(=O)c2ncc[nH]2)CCC1(C)C ZINC000871157818 589741474 /nfs/dbraw/zinc/74/14/74/589741474.db2.gz GJQDCTDDIRGESI-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN CC(=O)N1CCCN(CCC2OCCO2)CC1 ZINC000123561244 589754104 /nfs/dbraw/zinc/75/41/04/589754104.db2.gz UJBYTKNTZKNLLH-UHFFFAOYSA-N 0 3 242.319 0.304 20 0 BCADHN CCN1CCN(CCC2OCCO2)CC1 ZINC000123687884 589770772 /nfs/dbraw/zinc/77/07/72/589770772.db2.gz ZJLZQVLSMFXAET-UHFFFAOYSA-N 0 3 214.309 0.387 20 0 BCADHN CC(C)CN(CCC1OCCO1)CC(N)=O ZINC000123779751 589812806 /nfs/dbraw/zinc/81/28/06/589812806.db2.gz MZQJNYIRLBRXQX-UHFFFAOYSA-N 0 3 230.308 0.193 20 0 BCADHN C[C@H]1OC(=O)N(CCN2CCCCC2)C1=O ZINC000871781072 589815741 /nfs/dbraw/zinc/81/57/41/589815741.db2.gz WDKDPAOKKXHPNI-SECBINFHSA-N 0 3 226.276 0.840 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@@H](O)CC(C)(C)O)C1 ZINC000871974459 589848121 /nfs/dbraw/zinc/84/81/21/589848121.db2.gz GAWKTNNWYUMOEG-ZJUUUORDSA-N 0 3 245.319 0.003 20 0 BCADHN CN1CCCN(C[C@@H](O)CC(C)(C)O)CC1 ZINC000871965734 589848418 /nfs/dbraw/zinc/84/84/18/589848418.db2.gz SCZDJVVHJABSPC-NSHDSACASA-N 0 3 230.352 0.146 20 0 BCADHN CC(C)(O)C[C@H](O)CNCc1cccnc1 ZINC000871965785 589848485 /nfs/dbraw/zinc/84/84/85/589848485.db2.gz UYMCQKFIVBTPCN-NSHDSACASA-N 0 3 224.304 0.693 20 0 BCADHN CC(C)(O)C[C@H](O)CN1CC2(C1)CCCOC2 ZINC000871980662 589851799 /nfs/dbraw/zinc/85/17/99/589851799.db2.gz MPVGYYIJHNVEGO-NSHDSACASA-N 0 3 243.347 0.621 20 0 BCADHN CC(C)(O)C[C@H](O)CN1CC2(C1)CCOCC2 ZINC000871980073 589851909 /nfs/dbraw/zinc/85/19/09/589851909.db2.gz QGDSYLKRLCWVFT-NSHDSACASA-N 0 3 243.347 0.621 20 0 BCADHN COCC1(C)CN(C[C@H](O)CC(C)(C)O)C1 ZINC000871981680 589852073 /nfs/dbraw/zinc/85/20/73/589852073.db2.gz IBLLRZONVUSTRT-SNVBAGLBSA-N 0 3 231.336 0.477 20 0 BCADHN C[C@@H](N[C@@H]1CCOC[C@H]1O)c1ccncc1 ZINC000872141421 589882210 /nfs/dbraw/zinc/88/22/10/589882210.db2.gz WRNFSKMLYTVGMO-YUSALJHKSA-N 0 3 222.288 0.882 20 0 BCADHN Cc1n[nH]cc1CNC[C@H](O)CC(C)(C)O ZINC000872198258 589889545 /nfs/dbraw/zinc/88/95/45/589889545.db2.gz MMVRNDODJKVESV-SNVBAGLBSA-N 0 3 227.308 0.330 20 0 BCADHN Cn1nccc1CNC[C@@H](O)CC(C)(C)O ZINC000872197965 589889569 /nfs/dbraw/zinc/88/95/69/589889569.db2.gz HJNTWSRTTZDGNC-JTQLQIEISA-N 0 3 227.308 0.032 20 0 BCADHN C[C@H](NC[C@@H](O)CC(C)(C)O)c1cnn(C)c1 ZINC000872204513 589891862 /nfs/dbraw/zinc/89/18/62/589891862.db2.gz VLLWICIFGIWWNK-ONGXEEELSA-N 0 3 241.335 0.593 20 0 BCADHN CC(C)(O)C[C@@H](O)CNC[C@@H](O)C(F)(F)F ZINC000872213682 589894012 /nfs/dbraw/zinc/89/40/12/589894012.db2.gz WVVYXSTUMKVVQA-RNFRBKRXSA-N 0 3 245.241 0.021 20 0 BCADHN CC(C)(O)C[C@H](O)CNCc1ccnc(F)c1 ZINC000872223029 589896554 /nfs/dbraw/zinc/89/65/54/589896554.db2.gz LWUDOCWYZXGIOC-JTQLQIEISA-N 0 3 242.294 0.832 20 0 BCADHN O[C@H](CNC1CN(c2ccncn2)C1)C1CC1 ZINC000872225218 589897431 /nfs/dbraw/zinc/89/74/31/589897431.db2.gz DYOKFXHRLMHGDA-LLVKDONJSA-N 0 3 234.303 0.026 20 0 BCADHN COC(=O)C1CC(NC[C@@H](O)CC(C)(C)O)C1 ZINC000872227575 589897908 /nfs/dbraw/zinc/89/79/08/589897908.db2.gz NEZOCDKEODVNDJ-RTBKNWGFSA-N 0 3 245.319 0.050 20 0 BCADHN C[C@@H](CN[C@H]1CC12CCC2)S(C)(=O)=O ZINC000872252783 589900582 /nfs/dbraw/zinc/90/05/82/589900582.db2.gz VNCHBSHNJAHQCW-IUCAKERBSA-N 0 3 217.334 0.952 20 0 BCADHN NCC(=O)N1CCC[C@H](OC2CCC2)CC1 ZINC000872290309 589906468 /nfs/dbraw/zinc/90/64/68/589906468.db2.gz YSKJDZOVTLSCJM-NSHDSACASA-N 0 3 226.320 0.895 20 0 BCADHN Cc1cc(C(=O)N2CCNCCC2(C)C)ncn1 ZINC000872299692 589908356 /nfs/dbraw/zinc/90/83/56/589908356.db2.gz PCEXJJMJKYYVOS-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN O=C(N[C@]12CCC[C@H]1OCC2)[C@@]1(F)CCNC1 ZINC000872307856 589908537 /nfs/dbraw/zinc/90/85/37/589908537.db2.gz LXSOKJDSIKPKJH-JLLWLGSASA-N 0 3 242.294 0.516 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872308521 589908746 /nfs/dbraw/zinc/90/87/46/589908746.db2.gz CVVLGZDCWIOINW-NDMJEZRESA-N 0 3 238.331 0.955 20 0 BCADHN CCNC(=O)CN[C@]12CCC[C@H]1OCC2 ZINC000872310609 589909413 /nfs/dbraw/zinc/90/94/13/589909413.db2.gz GDCBFDAWDDFMLS-KOLCDFICSA-N 0 3 212.293 0.424 20 0 BCADHN CCNCC(=O)N1CCN(C)c2ncccc2C1 ZINC000872314503 589910291 /nfs/dbraw/zinc/91/02/91/589910291.db2.gz GOXCLXDSOUVTER-UHFFFAOYSA-N 0 3 248.330 0.470 20 0 BCADHN CC[S@@](=O)CCNCc1c(C)nn(C)c1C ZINC000124134500 589948808 /nfs/dbraw/zinc/94/88/08/589948808.db2.gz LHJSKJKCAAKKIJ-INIZCTEOSA-N 0 3 243.376 0.895 20 0 BCADHN C[C@@H]1CCN(CN2CC3(COC3)CC2=O)[C@H]1C ZINC000872586591 589954498 /nfs/dbraw/zinc/95/44/98/589954498.db2.gz LHJUFHBNTKJEPA-MNOVXSKESA-N 0 3 238.331 0.923 20 0 BCADHN C[C@@H]1[C@@H](C)CCN1CN1CC2(COC2)CC1=O ZINC000872586594 589954512 /nfs/dbraw/zinc/95/45/12/589954512.db2.gz LHJUFHBNTKJEPA-WDEREUQCSA-N 0 3 238.331 0.923 20 0 BCADHN C[C@@H]1C[C@H](C)CN1CN1CC2(COC2)CC1=O ZINC000872581802 589954644 /nfs/dbraw/zinc/95/46/44/589954644.db2.gz FXUREBSKALAJJU-WDEREUQCSA-N 0 3 238.331 0.923 20 0 BCADHN CN1C(=O)CN(CN2C[C@@H]3CC=CC[C@@H]3C2)C1=O ZINC000872712810 589964123 /nfs/dbraw/zinc/96/41/23/589964123.db2.gz COIZQPKWKABFMN-PHIMTYICSA-N 0 3 249.314 0.736 20 0 BCADHN CC(C)[C@H]1CN(Cn2cnnc2)CCN1C ZINC000872736331 589966324 /nfs/dbraw/zinc/96/63/24/589966324.db2.gz OVUCUUDHOGHCDU-LLVKDONJSA-N 0 3 223.324 0.508 20 0 BCADHN Cc1cc(N2C[C@@H]3CCCN3C[C@@H]2CO)ncn1 ZINC000872757847 589966550 /nfs/dbraw/zinc/96/65/50/589966550.db2.gz MUVSDFCPDBTPRO-NWDGAFQWSA-N 0 3 248.330 0.430 20 0 BCADHN Cc1nccc(N2C[C@@H]3CCCN3C[C@@H]2CO)n1 ZINC000872758321 589966649 /nfs/dbraw/zinc/96/66/49/589966649.db2.gz XYFZJKXQXXAUMO-NWDGAFQWSA-N 0 3 248.330 0.430 20 0 BCADHN Fc1ncnc(NC2CNC2)c1Br ZINC000872775830 589968496 /nfs/dbraw/zinc/96/84/96/589968496.db2.gz UUJFABZBWZUNRI-UHFFFAOYSA-N 0 3 247.071 0.762 20 0 BCADHN Cn1cnc(N2CC[C@@H]3[C@H]2CCCN3C)cc1=O ZINC000872778565 589969376 /nfs/dbraw/zinc/96/93/76/589969376.db2.gz JKNNPVOPNWVUTA-GHMZBOCLSA-N 0 3 248.330 0.453 20 0 BCADHN C[C@H](C(=O)N1CCCC1)n1cc([C@H](C)N)nn1 ZINC000124281966 589972705 /nfs/dbraw/zinc/97/27/05/589972705.db2.gz STVBQKUINRTFBL-DTWKUNHWSA-N 0 3 237.307 0.481 20 0 BCADHN Cc1nonc1CNC(=O)NC[C@H](C)N(C)C ZINC000873032584 589980785 /nfs/dbraw/zinc/98/07/85/589980785.db2.gz DUOARVPMBPFEAH-ZETCQYMHSA-N 0 3 241.295 0.127 20 0 BCADHN Cn1nccc1CNCCC[C@H]1CCOC1=O ZINC000873163029 589988979 /nfs/dbraw/zinc/98/89/79/589988979.db2.gz REKZCVSKNUKSIP-JTQLQIEISA-N 0 3 237.303 0.853 20 0 BCADHN Cn1nccc1CNCCC[C@@H]1CCOC1=O ZINC000873163030 589989493 /nfs/dbraw/zinc/98/94/93/589989493.db2.gz REKZCVSKNUKSIP-SNVBAGLBSA-N 0 3 237.303 0.853 20 0 BCADHN CC(C)c1nc(Cn2cc([C@@H](C)N)nn2)no1 ZINC000124431329 589990485 /nfs/dbraw/zinc/99/04/85/589990485.db2.gz FIISEHCJZGJCSI-SSDOTTSWSA-N 0 3 236.279 0.853 20 0 BCADHN CC(C)c1nc(Cn2cc([C@H](C)N)nn2)no1 ZINC000124431568 589990706 /nfs/dbraw/zinc/99/07/06/589990706.db2.gz FIISEHCJZGJCSI-ZETCQYMHSA-N 0 3 236.279 0.853 20 0 BCADHN C[C@@]1(CNCc2cnc(N)cn2)CCCO1 ZINC000873210838 589994769 /nfs/dbraw/zinc/99/47/69/589994769.db2.gz DDVZOCRFLGMBDJ-NSHDSACASA-N 0 3 222.292 0.718 20 0 BCADHN CC(C)OCCCNCc1cnc(N)cn1 ZINC000873210840 589994865 /nfs/dbraw/zinc/99/48/65/589994865.db2.gz DHQQKEMGXDGHLR-UHFFFAOYSA-N 0 3 224.308 0.964 20 0 BCADHN CCN1C[C@H](C)N(Cc2cnc(N)cn2)C[C@H]1C ZINC000873208736 589995048 /nfs/dbraw/zinc/99/50/48/589995048.db2.gz UGHNYYQKZJCZOO-MNOVXSKESA-N 0 3 249.362 0.973 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1Cc1cnc(N)cn1 ZINC000873209607 589995144 /nfs/dbraw/zinc/99/51/44/589995144.db2.gz QFPDEQROSFFRAQ-VHSXEESVSA-N 0 3 235.335 0.583 20 0 BCADHN CCN1C[C@H](C)N(Cc2cnc(N)cn2)C[C@@H]1C ZINC000873208737 589995590 /nfs/dbraw/zinc/99/55/90/589995590.db2.gz UGHNYYQKZJCZOO-QWRGUYRKSA-N 0 3 249.362 0.973 20 0 BCADHN CCC(CC)[C@@H](O)CNCc1cnc(N)cn1 ZINC000873213363 589996804 /nfs/dbraw/zinc/99/68/04/589996804.db2.gz WNFJGOOMKAXLGY-NSHDSACASA-N 0 3 238.335 0.946 20 0 BCADHN Cc1noc(C)c1CCNCc1cnc(N)cn1 ZINC000873213407 589997140 /nfs/dbraw/zinc/99/71/40/589997140.db2.gz YJHMTAKZILPWEG-UHFFFAOYSA-N 0 3 247.302 0.996 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873299490 590025318 /nfs/dbraw/zinc/02/53/18/590025318.db2.gz RZIICNHJTXTAKX-GUBZILKMSA-N 0 3 226.320 0.798 20 0 BCADHN C[C@H](CNC(=O)C1(Br)CC1)N(C)C ZINC000873985134 590083024 /nfs/dbraw/zinc/08/30/24/590083024.db2.gz ZLQUVUKEQCFIDA-SSDOTTSWSA-N 0 3 249.152 0.980 20 0 BCADHN C[C@H](CNC(=O)CN1CCCC1)N(C)C ZINC000873984770 590083548 /nfs/dbraw/zinc/08/35/48/590083548.db2.gz KPBYXFVAHHVXLP-SNVBAGLBSA-N 0 3 213.325 0.149 20 0 BCADHN O=C(CN1CCCC1)NCCN1CCCCC1 ZINC000874040391 590085947 /nfs/dbraw/zinc/08/59/47/590085947.db2.gz LBUZNNFSILTEKD-UHFFFAOYSA-N 0 3 239.363 0.684 20 0 BCADHN COC(=O)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000874098877 590091820 /nfs/dbraw/zinc/09/18/20/590091820.db2.gz WGKGNAVZMIRJNQ-SNVBAGLBSA-N 0 3 240.303 0.104 20 0 BCADHN O=C(CN1CCCC1)N1CCN(C2CC2)CC1 ZINC000874239078 590097717 /nfs/dbraw/zinc/09/77/17/590097717.db2.gz VFBMFKIHZKCAOT-UHFFFAOYSA-N 0 3 237.347 0.389 20 0 BCADHN CN(C)Cc1ccc(CN(C)C(=O)C(N)=O)cc1 ZINC000874264753 590100985 /nfs/dbraw/zinc/10/09/85/590100985.db2.gz YTLJRRMMMCIFQP-UHFFFAOYSA-N 0 3 249.314 0.192 20 0 BCADHN CCONC(=O)NC[C@H]1CCCN1CCOC ZINC000124985425 590107834 /nfs/dbraw/zinc/10/78/34/590107834.db2.gz PHTAUBAAQCBFQA-SNVBAGLBSA-N 0 3 245.323 0.348 20 0 BCADHN O=C(CN1CCCC1)NCCc1ncc[nH]1 ZINC000874451514 590111781 /nfs/dbraw/zinc/11/17/81/590111781.db2.gz GMSYISRTLGVMPQ-UHFFFAOYSA-N 0 3 222.292 0.164 20 0 BCADHN COC1CN(C(=O)CN(C)CC(C)(C)C)C1 ZINC000874461985 590112618 /nfs/dbraw/zinc/11/26/18/590112618.db2.gz ZOLDAVCUGZSCMC-UHFFFAOYSA-N 0 3 228.336 0.822 20 0 BCADHN COC(OC)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000874457580 590112687 /nfs/dbraw/zinc/11/26/87/590112687.db2.gz PPBPCNZUNVIABD-SNVBAGLBSA-N 0 3 242.319 0.300 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)CN1CCCC1 ZINC000874468490 590113458 /nfs/dbraw/zinc/11/34/58/590113458.db2.gz IZZCKGJYTQGMEX-LBPRGKRZSA-N 0 3 241.379 0.785 20 0 BCADHN CCOC(=O)CCN(C)C(=O)CN1CCCC1 ZINC000874469921 590114375 /nfs/dbraw/zinc/11/43/75/590114375.db2.gz CPVDNYNKBCQKEC-UHFFFAOYSA-N 0 3 242.319 0.494 20 0 BCADHN CC[C@H](C(=O)N1CCC2(C1)OCCO2)N(C)C ZINC000125121542 590124788 /nfs/dbraw/zinc/12/47/88/590124788.db2.gz HYXSURKWTVQAEW-SNVBAGLBSA-N 0 3 242.319 0.302 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)CC(C)(C)O ZINC000874829526 590141839 /nfs/dbraw/zinc/14/18/39/590141839.db2.gz LTAXMOANBWTDNP-GHMZBOCLSA-N 0 3 240.347 0.843 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1nnc[nH]1 ZINC000874825516 590142135 /nfs/dbraw/zinc/14/21/35/590142135.db2.gz PQFILUJRKMWWSG-VHSXEESVSA-N 0 3 249.318 0.042 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874827925 590142584 /nfs/dbraw/zinc/14/25/84/590142584.db2.gz FMGMACMDHFZBPV-WOPDTQHZSA-N 0 3 240.347 0.698 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ncc[nH]1 ZINC000874826227 590142809 /nfs/dbraw/zinc/14/28/09/590142809.db2.gz NBMFFUBVTLNNIR-ZJUUUORDSA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C(C)(C)CO ZINC000874835518 590143164 /nfs/dbraw/zinc/14/31/64/590143164.db2.gz ZMXCQBXMRZABPC-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874830160 590143287 /nfs/dbraw/zinc/14/32/87/590143287.db2.gz QIKAWTMWRJZTET-GUBZILKMSA-N 0 3 212.293 0.062 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccncn1 ZINC000874833225 590143590 /nfs/dbraw/zinc/14/35/90/590143590.db2.gz KFBIBKKUXCHGSJ-NWDGAFQWSA-N 0 3 246.314 0.785 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ncc[nH]1 ZINC000874831275 590144142 /nfs/dbraw/zinc/14/41/42/590144142.db2.gz YYWSYVCXUOHKFB-QWRGUYRKSA-N 0 3 248.330 0.647 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ncccn1 ZINC000874839502 590145483 /nfs/dbraw/zinc/14/54/83/590145483.db2.gz XDJCCQZURUZLRN-WDEREUQCSA-N 0 3 246.314 0.785 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cnccn1 ZINC000874850207 590145865 /nfs/dbraw/zinc/14/58/65/590145865.db2.gz PCUGVHKVHLFGAD-NWDGAFQWSA-N 0 3 246.314 0.785 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H](C(C)(C)O)C1)N(C)C ZINC000874877871 590152690 /nfs/dbraw/zinc/15/26/90/590152690.db2.gz DTJPJMUTVSKNJV-GHMZBOCLSA-N 0 3 242.363 0.946 20 0 BCADHN CN1CCC[C@H](NC(=O)NC[C@H]2C[C@H](O)C2)C1 ZINC000875134336 590160774 /nfs/dbraw/zinc/16/07/74/590160774.db2.gz ATEOEORQFXUDJU-DCAQKATOSA-N 0 3 241.335 0.151 20 0 BCADHN CCONC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875504901 590164609 /nfs/dbraw/zinc/16/46/09/590164609.db2.gz IOUBUSHNYUKYLF-VIFPVBQESA-N 0 3 245.323 0.082 20 0 BCADHN CC[C@@H](C[C@@H](C)O)NC(=O)N[C@@H](C)CN(C)C ZINC000875582475 590166018 /nfs/dbraw/zinc/16/60/18/590166018.db2.gz PXXUTXZYSFLNBW-AXFHLTTASA-N 0 3 245.367 0.785 20 0 BCADHN CC[C@H](C[C@@H](C)O)NC(=O)NC[C@H](C)N(C)C ZINC000875645541 590167473 /nfs/dbraw/zinc/16/74/73/590167473.db2.gz XKRCTXLTWUHCMJ-HBNTYKKESA-N 0 3 245.367 0.785 20 0 BCADHN C[C@H](NC(=O)NCCN(C)C)c1ccnn1C ZINC000876270784 590193466 /nfs/dbraw/zinc/19/34/66/590193466.db2.gz XLICXUUTDABICL-VIFPVBQESA-N 0 3 239.323 0.342 20 0 BCADHN CN(C)CCNC(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000876330326 590195202 /nfs/dbraw/zinc/19/52/02/590195202.db2.gz DGCIUHDBKJPONF-JTQLQIEISA-N 0 3 243.351 0.662 20 0 BCADHN CC/C=C(\F)C(=O)N1CCN(C)C[C@H]1CN ZINC000876542883 590212913 /nfs/dbraw/zinc/21/29/13/590212913.db2.gz YRSDQVARDFJQPR-BABIGQSTSA-N 0 3 229.299 0.351 20 0 BCADHN COCCNC(=S)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000126003559 590213676 /nfs/dbraw/zinc/21/36/76/590213676.db2.gz QMEKFAVPCWUYSN-UWVGGRQHSA-N 0 3 245.392 0.580 20 0 BCADHN C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876549496 590214597 /nfs/dbraw/zinc/21/45/97/590214597.db2.gz FCGOLUUDNKSNKY-DCAQKATOSA-N 0 3 227.352 0.570 20 0 BCADHN C[C@H]1CCC[C@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000876588515 590219460 /nfs/dbraw/zinc/21/94/60/590219460.db2.gz YJRDIHZDJWGSLI-DCAQKATOSA-N 0 3 227.352 0.570 20 0 BCADHN C[C@H]1CCC[C@@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000876588513 590219520 /nfs/dbraw/zinc/21/95/20/590219520.db2.gz YJRDIHZDJWGSLI-AXFHLTTASA-N 0 3 227.352 0.570 20 0 BCADHN CC[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876602759 590220791 /nfs/dbraw/zinc/22/07/91/590220791.db2.gz DZOAFCAYVIXTPL-SDDRHHMPSA-N 0 3 241.379 0.960 20 0 BCADHN C[C@H]1CCCC[C@@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000876619005 590222622 /nfs/dbraw/zinc/22/26/22/590222622.db2.gz LUMPJBFRNMMVJK-TUAOUCFPSA-N 0 3 241.379 0.818 20 0 BCADHN CCN[C@H](C)C(=O)NC(C)(C)CCC(=O)OC ZINC000876662313 590227079 /nfs/dbraw/zinc/22/70/79/590227079.db2.gz VUEOWSXEDGPRMZ-SECBINFHSA-N 0 3 244.335 0.832 20 0 BCADHN CC[C@H]1CCC[C@@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000876671289 590228902 /nfs/dbraw/zinc/22/89/02/590228902.db2.gz LUHKUUVPBLKQEQ-TUAOUCFPSA-N 0 3 241.379 0.960 20 0 BCADHN CC1(C)[C@H]([NH3+])C[C@H]1C(=O)[N-]OCC(F)(F)F ZINC000876706677 590232474 /nfs/dbraw/zinc/23/24/74/590232474.db2.gz BROVUPUJOZAPOS-NTSWFWBYSA-N 0 3 240.225 0.970 20 0 BCADHN Cc1cc(C)cc(CCN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000876751102 590237830 /nfs/dbraw/zinc/23/78/30/590237830.db2.gz USOWTTBUBPECLW-OKILXGFUSA-N 0 3 235.327 0.883 20 0 BCADHN C[C@H](C(=O)N1CCNC[C@@H]1C(F)F)N(C)C ZINC000876855102 590249844 /nfs/dbraw/zinc/24/98/44/590249844.db2.gz YROUEFACRYYICU-HTQZYQBOSA-N 0 3 235.278 0.002 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cccnc1F ZINC000876856783 590249960 /nfs/dbraw/zinc/24/99/60/590249960.db2.gz UCUIMYKERIQFMI-YUMQZZPRSA-N 0 3 241.241 0.651 20 0 BCADHN C[C@H](C(=O)N[C@H]1CNCCC1(F)F)N(C)C ZINC000876865775 590251651 /nfs/dbraw/zinc/25/16/51/590251651.db2.gz GZNAGUJEHHCYSO-SFYZADRCSA-N 0 3 235.278 0.050 20 0 BCADHN CCC[C@H](CC)C(=O)NC[C@H]1CNCCO1 ZINC000876916777 590257119 /nfs/dbraw/zinc/25/71/19/590257119.db2.gz GFCZFFKZGIEPDH-WDEREUQCSA-N 0 3 228.336 0.917 20 0 BCADHN O=C(NC[C@H]1CNCCO1)c1cc(Cl)no1 ZINC000876919185 590257417 /nfs/dbraw/zinc/25/74/17/590257417.db2.gz SIMWXMRXEAXMIV-ZCFIWIBFSA-N 0 3 245.666 0.046 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876924520 590257652 /nfs/dbraw/zinc/25/76/52/590257652.db2.gz OJFFBVVOVPKWDK-GFCCVEGCSA-N 0 3 248.286 0.150 20 0 BCADHN Cc1cc(CN)cc(NC(=O)[C@@H]2COC(=O)N2)c1 ZINC000876933252 590258666 /nfs/dbraw/zinc/25/86/66/590258666.db2.gz KIAGCVAJWOVVAN-JTQLQIEISA-N 0 3 249.270 0.501 20 0 BCADHN C[C@H]1CC2(CCC2)CN1C(=O)[C@@H](N)CN(C)C ZINC000876938991 590258884 /nfs/dbraw/zinc/25/88/84/590258884.db2.gz RRIWBWSJVRLFJB-QWRGUYRKSA-N 0 3 239.363 0.666 20 0 BCADHN Cc1nn(C)cc1CN[C@H](CCO)C1CC1 ZINC000126263303 590261920 /nfs/dbraw/zinc/26/19/20/590261920.db2.gz QFEFGXRSMGKCHM-GFCCVEGCSA-N 0 3 223.320 0.979 20 0 BCADHN C[C@H](NCCS(C)(=O)=O)[C@@H]1CC1(F)F ZINC000876976255 590263370 /nfs/dbraw/zinc/26/33/70/590263370.db2.gz MBSAVLXXUKTYQD-BQBZGAKWSA-N 0 3 227.276 0.664 20 0 BCADHN CCn1ncc(CNC(=O)[C@H](C)NC2CC2)n1 ZINC000876989704 590265859 /nfs/dbraw/zinc/26/58/59/590265859.db2.gz CUJORWPYXOMHTE-QMMMGPOBSA-N 0 3 237.307 0.055 20 0 BCADHN CCOC(=O)C1=CC[C@@H](NC(=O)[C@@H](N)CC)C1 ZINC000877028762 590271369 /nfs/dbraw/zinc/27/13/69/590271369.db2.gz ZTCQLBARYSDISB-ZJUUUORDSA-N 0 3 240.303 0.492 20 0 BCADHN CCOC(=O)C1=CC[C@@H](NC(=O)[C@H](C)N)C1 ZINC000877028076 590271394 /nfs/dbraw/zinc/27/13/94/590271394.db2.gz SKGAOKMSOWNULR-IONNQARKSA-N 0 3 226.276 0.102 20 0 BCADHN CCOC(=O)C1=CC[C@@H](NC(=O)[C@H](N)CC)C1 ZINC000877028759 590271589 /nfs/dbraw/zinc/27/15/89/590271589.db2.gz ZTCQLBARYSDISB-NXEZZACHSA-N 0 3 240.303 0.492 20 0 BCADHN CCOC(=O)C1=CC[C@@H](NC(=O)[C@@H](C)N)C1 ZINC000877028077 590271598 /nfs/dbraw/zinc/27/15/98/590271598.db2.gz SKGAOKMSOWNULR-VXNVDRBHSA-N 0 3 226.276 0.102 20 0 BCADHN CCNCC(=O)N[C@H]1Cc2ccccc2NC1=O ZINC000877041688 590273249 /nfs/dbraw/zinc/27/32/49/590273249.db2.gz IXGQAFQYEJGITC-NSHDSACASA-N 0 3 247.298 0.276 20 0 BCADHN CC[S@@](=O)CCN[C@H](C)Cc1cnccn1 ZINC000877040285 590273564 /nfs/dbraw/zinc/27/35/64/590273564.db2.gz BSNBJRKVLVBZEZ-QLJPJBMISA-N 0 3 241.360 0.766 20 0 BCADHN C[C@@H]1CC[C@@H](NC(=O)c2ccc(N)cc2[O-])C[NH2+]1 ZINC000877053018 590275127 /nfs/dbraw/zinc/27/51/27/590275127.db2.gz ZZUODRNDGRJDJZ-PSASIEDQSA-N 0 3 249.314 0.845 20 0 BCADHN C[C@H]1CC[C@@H](NC(=O)c2ccc(N)cc2[O-])C[NH2+]1 ZINC000877053020 590275342 /nfs/dbraw/zinc/27/53/42/590275342.db2.gz ZZUODRNDGRJDJZ-WCBMZHEXSA-N 0 3 249.314 0.845 20 0 BCADHN CCNCC(=O)N1CCc2c(O)cccc2C1 ZINC000877066824 590276621 /nfs/dbraw/zinc/27/66/21/590276621.db2.gz UYXOFMUBFMSLNP-UHFFFAOYSA-N 0 3 234.299 0.886 20 0 BCADHN Cn1cc([C@H](O)CNCc2ccns2)cn1 ZINC000877072942 590277927 /nfs/dbraw/zinc/27/79/27/590277927.db2.gz YJFHDRLDBPVEJT-SNVBAGLBSA-N 0 3 238.316 0.700 20 0 BCADHN CCC[C@@H](CNC[C@H](O)c1cnn(C)c1)OC ZINC000877072569 590277967 /nfs/dbraw/zinc/27/79/67/590277967.db2.gz OWIXPKBGUGRAGC-RYUDHWBXSA-N 0 3 241.335 0.858 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000877081103 590279794 /nfs/dbraw/zinc/27/97/94/590279794.db2.gz XFGVLAWHFNQNJF-BWZBUEFSSA-N 0 3 211.265 0.005 20 0 BCADHN NC[C@@H]1CC(C(=O)NC2(C(F)F)CC2)=NO1 ZINC000877080760 590280101 /nfs/dbraw/zinc/28/01/01/590280101.db2.gz SMBUWWBOBRROGA-YFKPBYRVSA-N 0 3 233.218 0.004 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](C)C(=O)N(C)OC ZINC000877107680 590285824 /nfs/dbraw/zinc/28/58/24/590285824.db2.gz CCBIYEVGTXRFPQ-KCJUWKMLSA-N 0 3 245.323 0.028 20 0 BCADHN NC[C@H]1CC(C(=O)N[C@H]2CCCC23CC3)=NO1 ZINC000877131673 590290441 /nfs/dbraw/zinc/29/04/41/590290441.db2.gz HOSQZJVZENGOJK-SCZZXKLOSA-N 0 3 237.303 0.539 20 0 BCADHN CCNCC(=O)Nc1cncc(OC)c1 ZINC000877132011 590290668 /nfs/dbraw/zinc/29/06/68/590290668.db2.gz QYJWVZYFAZRSFL-UHFFFAOYSA-N 0 3 209.249 0.638 20 0 BCADHN COc1cncc(NC(=O)[C@@H]2OCC[C@@H]2N)c1 ZINC000877132451 590291021 /nfs/dbraw/zinc/29/10/21/590291021.db2.gz DUWNNCSCXSIBKV-VHSXEESVSA-N 0 3 237.259 0.145 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1nc(C2CC2)c[nH]1 ZINC000877146885 590292048 /nfs/dbraw/zinc/29/20/48/590292048.db2.gz WNUBKGLHZOYXAP-QMMMGPOBSA-N 0 3 237.307 0.115 20 0 BCADHN CC[C@](C)(NC(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000877147076 590292290 /nfs/dbraw/zinc/29/22/90/590292290.db2.gz ZMDQVQDIWRGVAA-CABZTGNLSA-N 0 3 239.319 0.785 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@]2(F)CCNC2)[C@@H](C)O1 ZINC000877173265 590296805 /nfs/dbraw/zinc/29/68/05/590296805.db2.gz BHSHAMPLADMBAN-SDNRWEOFSA-N 0 3 230.283 0.370 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877175620 590296817 /nfs/dbraw/zinc/29/68/17/590296817.db2.gz AWIJZJIMLIMZPE-ZDZIUTJZSA-N 0 3 224.304 0.263 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877175618 590296892 /nfs/dbraw/zinc/29/68/92/590296892.db2.gz AWIJZJIMLIMZPE-XBJGVBRDSA-N 0 3 224.304 0.263 20 0 BCADHN NC1(C(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000877178200 590297105 /nfs/dbraw/zinc/29/71/05/590297105.db2.gz PSCOLSVKQVPAPW-RXKWGBCNSA-N 0 3 222.288 0.017 20 0 BCADHN O=C(CNC1CC1)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877178518 590297856 /nfs/dbraw/zinc/29/78/56/590297856.db2.gz WAPBSVBNHXCYPN-OKQLBERTSA-N 0 3 236.315 0.278 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877300781 590308603 /nfs/dbraw/zinc/30/86/03/590308603.db2.gz KLNMHTKBNDYEJD-NKWVEPMBSA-N 0 3 222.235 0.216 20 0 BCADHN CO[C@@H]1CC[C@H](C)N(C(=O)[C@@]2(F)CCNC2)C1 ZINC000877198397 590300056 /nfs/dbraw/zinc/30/00/56/590300056.db2.gz YZXYCRWZMWBFDT-HOSYDEDBSA-N 0 3 244.310 0.714 20 0 BCADHN CCN[C@H](C)C(=O)NCc1ccnc(F)c1 ZINC000877201034 590300329 /nfs/dbraw/zinc/30/03/29/590300329.db2.gz BQZQSGBUGUUVBG-MRVPVSSYSA-N 0 3 225.267 0.835 20 0 BCADHN Cc1ccc(CNC(=O)C2=NO[C@@H](CN)C2)o1 ZINC000877202580 590300533 /nfs/dbraw/zinc/30/05/33/590300533.db2.gz WKIISFWWIJYMAO-SECBINFHSA-N 0 3 237.259 0.308 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCc1ccnc(F)c1 ZINC000877202069 590300629 /nfs/dbraw/zinc/30/06/29/590300629.db2.gz XSCRZWFJFBPNPL-QMMMGPOBSA-N 0 3 237.278 0.977 20 0 BCADHN NCC(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000877241257 590302421 /nfs/dbraw/zinc/30/24/21/590302421.db2.gz OPLUEBDLZPEXJB-UWVGGRQHSA-N 0 3 212.293 0.124 20 0 BCADHN NC1(C(=O)N2CC[C@H]3CSC[C@H]3C2)CC1 ZINC000877248810 590303606 /nfs/dbraw/zinc/30/36/06/590303606.db2.gz FGEMUZNYCOGZGK-DTWKUNHWSA-N 0 3 226.345 0.689 20 0 BCADHN CCN[C@H](C)C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000877251642 590303608 /nfs/dbraw/zinc/30/36/08/590303608.db2.gz SKDQEFLIQDQHSO-ZJUUUORDSA-N 0 3 228.336 0.604 20 0 BCADHN NCC(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000877249168 590303982 /nfs/dbraw/zinc/30/39/82/590303982.db2.gz IMABZDICCBDBLV-SFYZADRCSA-N 0 3 200.307 0.157 20 0 BCADHN CCN[C@@H](C)C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000877251641 590303990 /nfs/dbraw/zinc/30/39/90/590303990.db2.gz SKDQEFLIQDQHSO-VHSXEESVSA-N 0 3 228.336 0.604 20 0 BCADHN O=C(Nc1ccn(CCF)n1)[C@@H]1CCCCN1 ZINC000877264148 590305023 /nfs/dbraw/zinc/30/50/23/590305023.db2.gz KKVAIFYLHWJDHC-VIFPVBQESA-N 0 3 240.282 0.933 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877272910 590305655 /nfs/dbraw/zinc/30/56/55/590305655.db2.gz LMTSAIHGWQEEMN-PSASIEDQSA-N 0 3 248.286 0.149 20 0 BCADHN CNC(=O)CN(Cc1ccccc1)C(=O)[C@@H](C)N ZINC000877287919 590307178 /nfs/dbraw/zinc/30/71/78/590307178.db2.gz CPEXRKBFSXSDGB-SNVBAGLBSA-N 0 3 249.314 0.108 20 0 BCADHN O=C(NCCOC(F)(F)F)[C@]1(F)CCNC1 ZINC000877293448 590307815 /nfs/dbraw/zinc/30/78/15/590307815.db2.gz MTEUNBFHSNOADE-ZETCQYMHSA-N 0 3 244.188 0.341 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877298403 590308407 /nfs/dbraw/zinc/30/84/07/590308407.db2.gz DNXXGJSMPMBBAP-SFYZADRCSA-N 0 3 248.273 0.477 20 0 BCADHN N[C@H](C(=O)N1CCO[C@@H](C(F)F)C1)C1CCC1 ZINC000877299002 590308427 /nfs/dbraw/zinc/30/84/27/590308427.db2.gz ILTIWPPZEQASPZ-BDAKNGLRSA-N 0 3 248.273 0.606 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@H](C(F)F)C1 ZINC000877299307 590308613 /nfs/dbraw/zinc/30/86/13/590308613.db2.gz KLNMHTKBNDYEJD-RQJHMYQMSA-N 0 3 222.235 0.216 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCO[C@H](C(F)F)C1 ZINC000877300733 590308881 /nfs/dbraw/zinc/30/88/81/590308881.db2.gz ZLCULAYDBVAMMO-YUMQZZPRSA-N 0 3 236.262 0.477 20 0 BCADHN CC(=O)C1CCN(C(=O)C(C)(C)CN)CC1 ZINC000877300880 590309192 /nfs/dbraw/zinc/30/91/92/590309192.db2.gz HLHPAXKNVGAGSK-UHFFFAOYSA-N 0 3 226.320 0.799 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877308826 590311409 /nfs/dbraw/zinc/31/14/09/590311409.db2.gz CWJOGTRWDFEBSI-IMSYWVGJSA-N 0 3 212.293 0.407 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877308823 590311506 /nfs/dbraw/zinc/31/15/06/590311506.db2.gz CWJOGTRWDFEBSI-AATLWQCWSA-N 0 3 212.293 0.407 20 0 BCADHN CCNCC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877311580 590312871 /nfs/dbraw/zinc/31/28/71/590312871.db2.gz YLAAGESRTRABCU-OUAUKWLOSA-N 0 3 226.320 0.670 20 0 BCADHN NC1(C(=O)NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000877311344 590313184 /nfs/dbraw/zinc/31/31/84/590313184.db2.gz VWDVQFOJVUEYOC-GUBZILKMSA-N 0 3 224.304 0.552 20 0 BCADHN C[C@@H](O)CN(C)Cc1cnc2c(cnn2C)c1 ZINC000877320553 590315277 /nfs/dbraw/zinc/31/52/77/590315277.db2.gz LNQCMORFLWSMRL-SECBINFHSA-N 0 3 234.303 0.781 20 0 BCADHN O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cc(=O)[n-]cn1 ZINC000877386180 590320734 /nfs/dbraw/zinc/32/07/34/590320734.db2.gz PQVLWKVKAZSAPT-CABZTGNLSA-N 0 3 248.286 0.197 20 0 BCADHN CCn1ncc(NC(=O)[C@@H](N)CN(C)C)c1C ZINC000877452020 590329692 /nfs/dbraw/zinc/32/96/92/590329692.db2.gz QZRUIPNXNCHKGF-VIFPVBQESA-N 0 3 239.323 0.039 20 0 BCADHN CCn1ncc(NC(=O)C2(N)CC2)c1C ZINC000877452461 590329875 /nfs/dbraw/zinc/32/98/75/590329875.db2.gz YAIXOCGNUYDILJ-UHFFFAOYSA-N 0 3 208.265 0.641 20 0 BCADHN CC[C@@H](NC(=O)C1=NO[C@@H](CN)C1)C(F)F ZINC000877454905 590330453 /nfs/dbraw/zinc/33/04/53/590330453.db2.gz CULAYZRUBUZEND-PHDIDXHHSA-N 0 3 235.234 0.250 20 0 BCADHN O=C1C[C@H](NCc2cccnc2F)CCCN1 ZINC000877490894 590339664 /nfs/dbraw/zinc/33/96/64/590339664.db2.gz KXGJTOOKTSCKOF-SNVBAGLBSA-N 0 3 237.278 0.979 20 0 BCADHN COC[C@H](CO)NC[C@H]1CC1(Cl)Cl ZINC000877491560 590340467 /nfs/dbraw/zinc/34/04/67/590340467.db2.gz MMLYSZVMJQUYAZ-RQJHMYQMSA-N 0 3 228.119 0.777 20 0 BCADHN C[C@@H](NCc1cnnn1C)[C@H]1CC1(F)F ZINC000877534389 590349101 /nfs/dbraw/zinc/34/91/01/590349101.db2.gz HRUSSZJOIJGVRC-HTRCEHHLSA-N 0 3 216.235 0.948 20 0 BCADHN CC[C@H](C)[C@@H](CN1CC(C(=O)NC)C1)OC ZINC000877581882 590365422 /nfs/dbraw/zinc/36/54/22/590365422.db2.gz XIWCEKCBKAHPEX-GXSJLCMTSA-N 0 3 228.336 0.725 20 0 BCADHN CC[C@H](C)[C@H](CN1CC(C(=O)NC)C1)OC ZINC000877581885 590365729 /nfs/dbraw/zinc/36/57/29/590365729.db2.gz XIWCEKCBKAHPEX-ONGXEEELSA-N 0 3 228.336 0.725 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CS[C@H](C)C1 ZINC000877606384 590371472 /nfs/dbraw/zinc/37/14/72/590371472.db2.gz ADIGBBJOWSOXHH-RKDXNWHRSA-N 0 3 232.349 0.880 20 0 BCADHN CCN(OC)C(=O)CNC[C@@](C)(CC)OC ZINC000877606517 590372075 /nfs/dbraw/zinc/37/20/75/590372075.db2.gz DFIUQCLFTNAYII-LLVKDONJSA-N 0 3 232.324 0.801 20 0 BCADHN CCON(C)C(=O)CNC[C@H](OC)C1CC1 ZINC000877612266 590372886 /nfs/dbraw/zinc/37/28/86/590372886.db2.gz MIOYDRXLWQNWCX-JTQLQIEISA-N 0 3 230.308 0.411 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CS[C@H](C)C1 ZINC000877660335 590386979 /nfs/dbraw/zinc/38/69/79/590386979.db2.gz LUGWEOPQOGNUMH-VGMNWLOBSA-N 0 3 232.349 0.878 20 0 BCADHN c1cc(N2CC(NC[C@H]3CCC=CO3)C2)ncn1 ZINC000877702114 590396066 /nfs/dbraw/zinc/39/60/66/590396066.db2.gz JWWVGRXPPNMUGI-GFCCVEGCSA-N 0 3 246.314 0.948 20 0 BCADHN COC(=O)C1CC(NCC2=CCCOC2)C1 ZINC000877720420 590400631 /nfs/dbraw/zinc/40/06/31/590400631.db2.gz AZUGEXDGIIEJQJ-UHFFFAOYSA-N 0 3 225.288 0.874 20 0 BCADHN COC(=O)C1CC(NCc2cnc3n2CCC3)C1 ZINC000877723625 590402302 /nfs/dbraw/zinc/40/23/02/590402302.db2.gz NCAPSIFYNWEUOE-UHFFFAOYSA-N 0 3 249.314 0.871 20 0 BCADHN Cc1ccoc1CN1C[C@H](CO)[C@H](CO)C1 ZINC000877764955 590420317 /nfs/dbraw/zinc/42/03/17/590420317.db2.gz UMPDVQXRVVWJGW-PHIMTYICSA-N 0 3 225.288 0.621 20 0 BCADHN CN(CCS(N)(=O)=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000877826040 590428126 /nfs/dbraw/zinc/42/81/26/590428126.db2.gz NIDZJDAKCKRVAH-MXWKQRLJSA-N 0 3 246.376 0.643 20 0 BCADHN C[C@@H](CN1C(=O)N[C@@](C)(C2CC2)C1=O)N(C)C ZINC000877875413 590434963 /nfs/dbraw/zinc/43/49/63/590434963.db2.gz UZZSSLJNIOUQIJ-UFBFGSQYSA-N 0 3 239.319 0.657 20 0 BCADHN CCOC(=O)[C@H](F)[C@H](C)N[C@H](CO)C(C)C ZINC000126767653 590440649 /nfs/dbraw/zinc/44/06/49/590440649.db2.gz VMAJWBRRLVGGHT-IVZWLZJFSA-N 0 3 235.299 0.883 20 0 BCADHN CN(CCc1nnnn1C)Cc1cccs1 ZINC000877931932 590450431 /nfs/dbraw/zinc/45/04/31/590450431.db2.gz IHJHCKSVLSGCFG-UHFFFAOYSA-N 0 3 237.332 0.946 20 0 BCADHN NC(=O)c1ccc(CCN2CCC[C@H](O)C2)cc1 ZINC000877936216 590451762 /nfs/dbraw/zinc/45/17/62/590451762.db2.gz WJVQFEPYZSNBNP-ZDUSSCGKSA-N 0 3 248.326 0.785 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000877943402 590453995 /nfs/dbraw/zinc/45/39/95/590453995.db2.gz GIUXDNGFOHKGKR-TUAOUCFPSA-N 0 3 240.347 0.964 20 0 BCADHN CN(CCO)C[C@H]1CCC2(CCOCC2)O1 ZINC000877949433 590454408 /nfs/dbraw/zinc/45/44/08/590454408.db2.gz FJDCGZWKHPNLOG-LLVKDONJSA-N 0 3 229.320 0.639 20 0 BCADHN CN(CCO)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000877949560 590454627 /nfs/dbraw/zinc/45/46/27/590454627.db2.gz JZJRQFMEQDGLHN-LBPRGKRZSA-N 0 3 243.347 0.886 20 0 BCADHN CCOC1CCN(CCn2cnnn2)CC1 ZINC000877989234 590466379 /nfs/dbraw/zinc/46/63/79/590466379.db2.gz VNMVGKFELFZHMM-UHFFFAOYSA-N 0 3 225.296 0.174 20 0 BCADHN CN(CCn1cnnn1)C[C@H]1CCCCO1 ZINC000877988076 590466697 /nfs/dbraw/zinc/46/66/97/590466697.db2.gz BWOZLIMDEOOLTL-SNVBAGLBSA-N 0 3 225.296 0.174 20 0 BCADHN CCCN(CC(=O)NC)C[C@H]1C[C@@H](OC)C1 ZINC000877986981 590467063 /nfs/dbraw/zinc/46/70/63/590467063.db2.gz WMEGHHPLPYZGSO-PHIMTYICSA-N 0 3 228.336 0.869 20 0 BCADHN CN1CCC(NC(=O)COC2CC2)CC1 ZINC000878004190 590471109 /nfs/dbraw/zinc/47/11/09/590471109.db2.gz PRGQGHROVSHPAL-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN c1n[nH]cc1C1CCN(CCn2cnnn2)CC1 ZINC000878029728 590475334 /nfs/dbraw/zinc/47/53/34/590475334.db2.gz XXHDDPFKEDJNFU-UHFFFAOYSA-N 0 3 247.306 0.276 20 0 BCADHN COCCN(CCO)C[C@@H]1CC2(CCC2)CO1 ZINC000878040791 590477952 /nfs/dbraw/zinc/47/79/52/590477952.db2.gz OPHCMOAUKPXLET-LBPRGKRZSA-N 0 3 243.347 0.886 20 0 BCADHN CO[C@@H]1CCCN(C[C@H](O)CC(C)(C)O)C1 ZINC000878047070 590481558 /nfs/dbraw/zinc/48/15/58/590481558.db2.gz OBQLKKMHJADVJN-GHMZBOCLSA-N 0 3 231.336 0.619 20 0 BCADHN O=C1CCN(C[C@@H]2C[C@H]3CCC[C@H]3O2)CCN1 ZINC000878050050 590482490 /nfs/dbraw/zinc/48/24/90/590482490.db2.gz PQGLCUKWZRLDNC-GRYCIOLGSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@@H]1CSCCN1C[C@@H](O)CC(C)(C)O ZINC000878122331 590499876 /nfs/dbraw/zinc/49/98/76/590499876.db2.gz ZELYUJWUOQLBPZ-ZJUUUORDSA-N 0 3 233.377 0.946 20 0 BCADHN OC[C@@H]1CCN(C[C@H](O)CC2(O)CCCC2)C1 ZINC000878126712 590501305 /nfs/dbraw/zinc/50/13/05/590501305.db2.gz YWUIGNDHMOBBJC-VXGBXAGGSA-N 0 3 243.347 0.357 20 0 BCADHN c1nnnn1CCN1CCC[C@@H]2CCC[C@@H]21 ZINC000878132776 590503818 /nfs/dbraw/zinc/50/38/18/590503818.db2.gz BITLCHODJPDLTL-QWRGUYRKSA-N 0 3 221.308 0.938 20 0 BCADHN CN(CCc1cccs1)CCn1cnnn1 ZINC000878141537 590506216 /nfs/dbraw/zinc/50/62/16/590506216.db2.gz JIFRAPICQXTBQN-UHFFFAOYSA-N 0 3 237.332 0.909 20 0 BCADHN CSC[C@@H]1CCCN1CCn1cnnn1 ZINC000878199937 590523298 /nfs/dbraw/zinc/52/32/98/590523298.db2.gz IQRCXSTYJXCAGC-VIFPVBQESA-N 0 3 227.337 0.501 20 0 BCADHN CSC[C@H]1CCCN1CCc1nnnn1C ZINC000878200606 590523919 /nfs/dbraw/zinc/52/39/19/590523919.db2.gz SJOOKVCWZIUCBC-SECBINFHSA-N 0 3 241.364 0.580 20 0 BCADHN CC(C)[C@H](O)CCN(CC(N)=O)C(C)(C)C ZINC000878202250 590524332 /nfs/dbraw/zinc/52/43/32/590524332.db2.gz PIWADKZLUDZWNG-SNVBAGLBSA-N 0 3 230.352 0.979 20 0 BCADHN C[C@H](CNC(=O)COC1CC1)N1CCCC1 ZINC000878203964 590524434 /nfs/dbraw/zinc/52/44/34/590524434.db2.gz XQSTXRUDQDGZJE-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCC2(C1)OCCO2 ZINC000878236721 590526547 /nfs/dbraw/zinc/52/65/47/590526547.db2.gz MRQPFYFUYQUJFR-QWRGUYRKSA-N 0 3 227.304 0.860 20 0 BCADHN CC(C)[C@@H](O)CCNC1(C(N)=O)CCCC1 ZINC000878255669 590529447 /nfs/dbraw/zinc/52/94/47/590529447.db2.gz NFAHSLVNQAXWBY-JTQLQIEISA-N 0 3 228.336 0.781 20 0 BCADHN CC(C)[C@H](O)CCN[C@H](C(N)=O)C(C)(C)C ZINC000878261450 590530864 /nfs/dbraw/zinc/53/08/64/590530864.db2.gz LQFNGCBHQQUGFM-NXEZZACHSA-N 0 3 230.352 0.883 20 0 BCADHN CCOC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000127013816 590533604 /nfs/dbraw/zinc/53/36/04/590533604.db2.gz LDQHVOYGZIXHNM-UTLUCORTSA-N 0 3 242.319 0.442 20 0 BCADHN c1nnnn1CCN1CCC[C@@H]1c1ccncc1 ZINC000878310691 590539490 /nfs/dbraw/zinc/53/94/90/590539490.db2.gz OTTKWDZEQAYZJF-GFCCVEGCSA-N 0 3 244.302 0.905 20 0 BCADHN C[C@H](c1ccccn1)N(C)CCc1nnnn1C ZINC000878314095 590540868 /nfs/dbraw/zinc/54/08/68/590540868.db2.gz PEFFVJNIYLXFQL-SNVBAGLBSA-N 0 3 246.318 0.841 20 0 BCADHN C=C/C=C/CCN1CCC(S(N)(=O)=O)CC1 ZINC000878313868 590541294 /nfs/dbraw/zinc/54/12/94/590541294.db2.gz HJMUGGSKQBLAFW-ONEGZZNKSA-N 0 3 244.360 0.872 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCOC[C@H]1CCO ZINC000878318742 590544069 /nfs/dbraw/zinc/54/40/69/590544069.db2.gz XBXWTRKJKWPBKC-SDDRHHMPSA-N 0 3 229.320 0.495 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1C[C@H]1CC2(CCC2)CO1 ZINC000878320621 590544832 /nfs/dbraw/zinc/54/48/32/590544832.db2.gz HWWPHNJHGABYOO-QJPTWQEYSA-N 0 3 241.331 0.373 20 0 BCADHN C=C/C=C\CCN1CC[C@@H](NC(N)=O)C1 ZINC000878326446 590545869 /nfs/dbraw/zinc/54/58/69/590545869.db2.gz VBWJKUBNTQJCTL-UMBAGQNISA-N 0 3 209.293 0.861 20 0 BCADHN CC(C)[C@@H](O)CCN1CC[C@H](NC(N)=O)C1 ZINC000878324953 590546002 /nfs/dbraw/zinc/54/60/02/590546002.db2.gz NXHDSFKRXPEUST-UWVGGRQHSA-N 0 3 229.324 0.136 20 0 BCADHN C[C@@H]1CCOCCN1C[C@@H]1CCc2ncnn21 ZINC000878374326 590556074 /nfs/dbraw/zinc/55/60/74/590556074.db2.gz SIVSYCAUNXTOQI-MNOVXSKESA-N 0 3 236.319 0.876 20 0 BCADHN NC(=O)C1(NC[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000878386490 590558704 /nfs/dbraw/zinc/55/87/04/590558704.db2.gz ZUFXWQDYKKWUEM-KXUCPTDWSA-N 0 3 224.304 0.552 20 0 BCADHN CC(C)[C@@H](O)CCN(C)[C@]1(CO)CCOC1 ZINC000878395371 590559379 /nfs/dbraw/zinc/55/93/79/590559379.db2.gz BPHSDBJPWUONLS-RYUDHWBXSA-N 0 3 231.336 0.477 20 0 BCADHN CC(C)[C@H](O)CCN(C)[C@]1(CO)CCOC1 ZINC000878395369 590560020 /nfs/dbraw/zinc/56/00/20/590560020.db2.gz BPHSDBJPWUONLS-NEPJUHHUSA-N 0 3 231.336 0.477 20 0 BCADHN CN(CCNC(=O)COC1CC1)C1CC1 ZINC000878414685 590562471 /nfs/dbraw/zinc/56/24/71/590562471.db2.gz NJIZVRJWMMULQC-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN O=C(CN[C@H](CO)C1CC1)Nc1ccccn1 ZINC000878419336 590564392 /nfs/dbraw/zinc/56/43/92/590564392.db2.gz GYCHJRXVTIWHLM-SNVBAGLBSA-N 0 3 235.287 0.381 20 0 BCADHN CC(C)[C@H](O)CCN(C)C1CC(O)C1 ZINC000878430669 590565911 /nfs/dbraw/zinc/56/59/11/590565911.db2.gz OGURGJHCKQRZEB-VQXHTEKXSA-N 0 3 201.310 0.849 20 0 BCADHN CC(C)[C@@H](O)CCN(C)C1CC(O)C1 ZINC000878430668 590566365 /nfs/dbraw/zinc/56/63/65/590566365.db2.gz OGURGJHCKQRZEB-ILDUYXDCSA-N 0 3 201.310 0.849 20 0 BCADHN c1nnnn1CCN1CCOCC2(CCC2)C1 ZINC000878431740 590566544 /nfs/dbraw/zinc/56/65/44/590566544.db2.gz QVNNWXJTEGMMEJ-UHFFFAOYSA-N 0 3 237.307 0.176 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCOC[C@@H]2C[C@H](C)O)C1 ZINC000878437390 590567347 /nfs/dbraw/zinc/56/73/47/590567347.db2.gz NQVFNWRYLGUDIR-ZDEQEGDKSA-N 0 3 243.347 0.883 20 0 BCADHN CN(CCN(C)C1CC1)C[C@H](O)CC(C)(C)O ZINC000878442899 590568670 /nfs/dbraw/zinc/56/86/70/590568670.db2.gz CSHDTMLNIRFKMR-GFCCVEGCSA-N 0 3 244.379 0.534 20 0 BCADHN CC[C@]1(CO)CCCN(CCn2cnnn2)C1 ZINC000878464549 590571783 /nfs/dbraw/zinc/57/17/83/590571783.db2.gz AKPSWBCALOOLNG-NSHDSACASA-N 0 3 239.323 0.158 20 0 BCADHN CO[C@H]1CN(CCc2nnnn2C)CC[C@H]1C ZINC000878484002 590577260 /nfs/dbraw/zinc/57/72/60/590577260.db2.gz SYWRPNKGQRHTNU-ZJUUUORDSA-N 0 3 239.323 0.109 20 0 BCADHN C[C@H]1CCC[C@@H]1NCc1nnc2c(=O)[nH]ccn12 ZINC000878507286 590582779 /nfs/dbraw/zinc/58/27/79/590582779.db2.gz LHKNKWQSGMKYAX-IUCAKERBSA-N 0 3 247.302 0.696 20 0 BCADHN C[C@@H]1CSCCN(CCc2nnnn2C)C1 ZINC000878508820 590583152 /nfs/dbraw/zinc/58/31/52/590583152.db2.gz ZIUBFGJQEZNGNK-VIFPVBQESA-N 0 3 241.364 0.438 20 0 BCADHN C=C/C=C/CCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000878530418 590587286 /nfs/dbraw/zinc/58/72/86/590587286.db2.gz UOXOIZUHRIOWMD-OOPCZODUSA-N 0 3 249.314 0.793 20 0 BCADHN CO[C@]1(C)CCCN(CCn2cnnn2)C1 ZINC000878533466 590588125 /nfs/dbraw/zinc/58/81/25/590588125.db2.gz PAPOEKZLTSXTNQ-SNVBAGLBSA-N 0 3 225.296 0.174 20 0 BCADHN CC[C@H]1CN(CCc2nnnn2C)CCCO1 ZINC000878553771 590591242 /nfs/dbraw/zinc/59/12/42/590591242.db2.gz RTFVKSQEFRRALY-JTQLQIEISA-N 0 3 239.323 0.254 20 0 BCADHN CCN1CCN(C[C@@H](O)CC(C)(C)O)[C@@H](C)C1 ZINC000878603691 590593882 /nfs/dbraw/zinc/59/38/82/590593882.db2.gz GKXWYPIPGYBOPE-RYUDHWBXSA-N 0 3 244.379 0.534 20 0 BCADHN CCOC1CC(N(C)CCn2cnnn2)C1 ZINC000878620494 590596915 /nfs/dbraw/zinc/59/69/15/590596915.db2.gz XSQQASFTEGSMES-UHFFFAOYSA-N 0 3 225.296 0.172 20 0 BCADHN CCN(C#N)CCN1CC[C@@H](O)C1(C)C ZINC000878634408 590598250 /nfs/dbraw/zinc/59/82/50/590598250.db2.gz FQLLGPQYMKQTFJ-SNVBAGLBSA-N 0 3 211.309 0.635 20 0 BCADHN COCCN(C)CCNC(=O)c1cc(C)co1 ZINC000878643776 590600834 /nfs/dbraw/zinc/60/08/34/590600834.db2.gz OEWVSZDSLSWKQJ-UHFFFAOYSA-N 0 3 240.303 0.896 20 0 BCADHN CC(=O)C1CCN(C[C@H](O)CC(C)(C)O)CC1 ZINC000878670125 590606706 /nfs/dbraw/zinc/60/67/06/590606706.db2.gz HEOHCSIYKBZNNQ-GFCCVEGCSA-N 0 3 243.347 0.809 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CC3(CCC3)CO2)C[C@H]1O ZINC000878682117 590608275 /nfs/dbraw/zinc/60/82/75/590608275.db2.gz FBGOKLROUAACNH-IJLUTSLNSA-N 0 3 241.331 0.637 20 0 BCADHN CC[C@H]1CN(CC)CCN1CCn1cnnn1 ZINC000878682992 590609034 /nfs/dbraw/zinc/60/90/34/590609034.db2.gz UWCCECAYCGQRFA-NSHDSACASA-N 0 3 238.339 0.089 20 0 BCADHN COC[C@H]1CCCCN1CCn1cnnn1 ZINC000878691483 590610354 /nfs/dbraw/zinc/61/03/54/590610354.db2.gz CVNUMUSJMZIDJE-SNVBAGLBSA-N 0 3 225.296 0.174 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878705832 590613063 /nfs/dbraw/zinc/61/30/63/590613063.db2.gz JVPYJDBVUCDOJW-QNWJLWSRSA-N 0 3 241.331 0.947 20 0 BCADHN O[C@H]1CCN(CCn2cnnn2)C2(CCC2)C1 ZINC000878722887 590617070 /nfs/dbraw/zinc/61/70/70/590617070.db2.gz LFXUVDRFUPFOPY-JTQLQIEISA-N 0 3 237.307 0.053 20 0 BCADHN CO[C@H]1C[C@@H](CN2CC(C)(C(N)=O)C2)C1 ZINC000878757659 590618821 /nfs/dbraw/zinc/61/88/21/590618821.db2.gz RQTPAELXHSVIFE-DTORHVGOSA-N 0 3 212.293 0.219 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878761292 590619540 /nfs/dbraw/zinc/61/95/40/590619540.db2.gz JVPYJDBVUCDOJW-IEECTRCBSA-N 0 3 241.331 0.947 20 0 BCADHN CC(=O)NCCN(C)CC[C@H](O)C(C)C ZINC000878763086 590619729 /nfs/dbraw/zinc/61/97/29/590619729.db2.gz RZLOVRIADBZKGI-NSHDSACASA-N 0 3 216.325 0.461 20 0 BCADHN C=C/C=C\CCN1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000878770439 590620234 /nfs/dbraw/zinc/62/02/34/590620234.db2.gz PFPFBRVUXGWPOT-KBIXYVOKSA-N 0 3 239.315 0.975 20 0 BCADHN C[C@H](CO)C1CCN(CCn2cnnn2)CC1 ZINC000878807758 590626043 /nfs/dbraw/zinc/62/60/43/590626043.db2.gz TYMPJHRBMSFNQR-SNVBAGLBSA-N 0 3 239.323 0.014 20 0 BCADHN NC(=O)[C@@]1(NCC2CC3(CCC3)C2)CCOC1 ZINC000878844965 590632068 /nfs/dbraw/zinc/63/20/68/590632068.db2.gz BBPQXAJMCJIEGT-CYBMUJFWSA-N 0 3 238.331 0.801 20 0 BCADHN CC(C)[C@@H](O)CCN1CCC(=O)N(C)CC1 ZINC000878934289 590654830 /nfs/dbraw/zinc/65/48/30/590654830.db2.gz YRUKSNLVYXRNPR-NSHDSACASA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)COC1CC1 ZINC000878947758 590659146 /nfs/dbraw/zinc/65/91/46/590659146.db2.gz STOIUCKMGRHEEF-ZYHUDNBSSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)COC2CC2)CCN1C ZINC000878961389 590661721 /nfs/dbraw/zinc/66/17/21/590661721.db2.gz WZFYSPDIXKVOCD-ZJUUUORDSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H](C(=O)N1CCC12CCN(C)CC2)N(C)C ZINC000878954724 590662057 /nfs/dbraw/zinc/66/20/57/590662057.db2.gz DDSUPFCCDQKPJO-NSHDSACASA-N 0 3 239.363 0.633 20 0 BCADHN CC(C)[C@@H](O)CCN1CCN(C)C[C@@H]1CO ZINC000879001096 590674619 /nfs/dbraw/zinc/67/46/19/590674619.db2.gz PHAVNMDAILXPIP-NEPJUHHUSA-N 0 3 230.352 0.002 20 0 BCADHN C[C@H](CN1C[C@H](O)C[C@H]1C(N)=O)CC(C)(C)C ZINC000879013287 590677141 /nfs/dbraw/zinc/67/71/41/590677141.db2.gz JORPSSWOECMHIE-AXFHLTTASA-N 0 3 242.363 0.979 20 0 BCADHN C[C@@H](CO)CN1CCC([C@H](F)C(N)=O)CC1 ZINC000879041061 590683867 /nfs/dbraw/zinc/68/38/67/590683867.db2.gz AVHJDJCOFAQEQY-SCZZXKLOSA-N 0 3 232.299 0.150 20 0 BCADHN CC(C)[C@H](O)CCN1CCC[C@H]1C(N)=O ZINC000879037672 590684087 /nfs/dbraw/zinc/68/40/87/590684087.db2.gz FAQDFCKZDRHWEZ-VHSXEESVSA-N 0 3 214.309 0.343 20 0 BCADHN CC[C@H](CN1CCC([C@@H](F)C(N)=O)CC1)OC ZINC000879045490 590685577 /nfs/dbraw/zinc/68/55/77/590685577.db2.gz YNBQSYFFQMJNIY-GHMZBOCLSA-N 0 3 246.326 0.947 20 0 BCADHN COC[C@@H](C)N1CCC([C@H](F)C(N)=O)CC1 ZINC000879041888 590685743 /nfs/dbraw/zinc/68/57/43/590685743.db2.gz TVLJUUPVPGCONL-SCZZXKLOSA-N 0 3 232.299 0.557 20 0 BCADHN CC1(C)CO[C@@H](CN2C[C@@H]3COC(=O)[C@@H]3C2)C1 ZINC000879066450 590690763 /nfs/dbraw/zinc/69/07/63/590690763.db2.gz OXZUTVLAWWZDCD-GMTAPVOTSA-N 0 3 239.315 0.906 20 0 BCADHN CCOC(CN1CC[C@H](C(=O)OC)C1)OCC ZINC000127544413 590703646 /nfs/dbraw/zinc/70/36/46/590703646.db2.gz IPOAJJOHBDLDED-JTQLQIEISA-N 0 3 245.319 0.880 20 0 BCADHN COC[C@](C)(CO)NC[C@H]1CC2(CC2)C(=O)O1 ZINC000879163186 590706314 /nfs/dbraw/zinc/70/63/14/590706314.db2.gz RTFJLONSPQAHDM-KOLCDFICSA-N 0 3 243.303 0.069 20 0 BCADHN Cc1n[nH]cc1CN(C)CCc1cn[nH]n1 ZINC000879188447 590709643 /nfs/dbraw/zinc/70/96/43/590709643.db2.gz LSLKGFSICQPXDM-UHFFFAOYSA-N 0 3 220.280 0.511 20 0 BCADHN Cc1[nH]ncc1CN(C)[C@@H]1CCOC1=O ZINC000879185247 590709561 /nfs/dbraw/zinc/70/95/61/590709561.db2.gz IJQGMWJYRRUHJT-SECBINFHSA-N 0 3 209.249 0.465 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1CCO ZINC000879220896 590718033 /nfs/dbraw/zinc/71/80/33/590718033.db2.gz CERRYRVVOTWAPI-ZJUUUORDSA-N 0 3 244.335 0.966 20 0 BCADHN Cc1ncc([C@@H](C)NCCn2cnnn2)s1 ZINC000879253329 590720601 /nfs/dbraw/zinc/72/06/01/590720601.db2.gz SODQUUUOAIKXAK-SSDOTTSWSA-N 0 3 238.320 0.789 20 0 BCADHN CO[C@@H]1CC[C@@H](C)N(C[C@@H]2COCCO2)C1 ZINC000879325107 590745825 /nfs/dbraw/zinc/74/58/25/590745825.db2.gz LIRIATMLBFIMHD-IJLUTSLNSA-N 0 3 229.320 0.901 20 0 BCADHN CO[C@@H]1CC[C@@H](C)N(CC[S@@](C)=O)C1 ZINC000879326425 590746081 /nfs/dbraw/zinc/74/60/81/590746081.db2.gz REYVYNVOKOZCEL-GPCCPHFNSA-N 0 3 219.350 0.864 20 0 BCADHN CO[C@@H]1CC[C@@H](C)N(CCc2nnnn2C)C1 ZINC000879327847 590748468 /nfs/dbraw/zinc/74/84/68/590748468.db2.gz ZREDXPGBGADDDY-NXEZZACHSA-N 0 3 239.323 0.252 20 0 BCADHN CC[C@H](O)CN1CCCC[C@H]1CNC(=O)NC ZINC000879335663 590748844 /nfs/dbraw/zinc/74/88/44/590748844.db2.gz VBQMGIWIHHPCQI-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN CNC(=O)NC[C@H]1CCCCN1CCC(C)=O ZINC000879335718 590749551 /nfs/dbraw/zinc/74/95/51/590749551.db2.gz WLERIIXHSDVYOJ-LLVKDONJSA-N 0 3 241.335 0.749 20 0 BCADHN CNC(=O)NC[C@@H]1CCCCN1CCOC ZINC000879332492 590749563 /nfs/dbraw/zinc/74/95/63/590749563.db2.gz JREKZSZRUURTEJ-JTQLQIEISA-N 0 3 229.324 0.416 20 0 BCADHN CNC(=O)NC[C@@H]1CCCCN1C[C@H](C)OC ZINC000879336921 590751564 /nfs/dbraw/zinc/75/15/64/590751564.db2.gz ZQRGEXGXMOBHKJ-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@H]1CCCN(CC2OCCO2)[C@@H]1CO ZINC000879365827 590754420 /nfs/dbraw/zinc/75/44/20/590754420.db2.gz RMTNMNKMFARVDO-NXEZZACHSA-N 0 3 215.293 0.452 20 0 BCADHN Cn1nnnc1CCN1CCC(C)(F)CC1 ZINC000879384261 590758058 /nfs/dbraw/zinc/75/80/58/590758058.db2.gz XSDMZSRYSNSSJK-UHFFFAOYSA-N 0 3 227.287 0.577 20 0 BCADHN CNC(=O)CN[C@](C)(CC(=O)OC)C1CC1 ZINC000879438390 590770442 /nfs/dbraw/zinc/77/04/42/590770442.db2.gz IAZXCFVVRCJOTG-LLVKDONJSA-N 0 3 228.292 0.054 20 0 BCADHN COC(=O)C[C@](C)(NCC(OC)OC)C1CC1 ZINC000879442404 590772100 /nfs/dbraw/zinc/77/21/00/590772100.db2.gz 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214.334 0.545 20 0 BCADHN CNC(=O)CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879557726 590800865 /nfs/dbraw/zinc/80/08/65/590800865.db2.gz OTDXUSIRAVORHC-RKDXNWHRSA-N 0 3 214.334 0.417 20 0 BCADHN CN1CC[C@H](N2C[C@H](O)CC(C)(C)C2)C1=O ZINC000879619103 590824124 /nfs/dbraw/zinc/82/41/24/590824124.db2.gz MVJIEJJVXVYCNE-ZJUUUORDSA-N 0 3 226.320 0.310 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCC(C(C)(C)O)CC1 ZINC000879628468 590826804 /nfs/dbraw/zinc/82/68/04/590826804.db2.gz VEMBKSKSJDESPQ-ZDUSSCGKSA-N 0 3 243.347 0.809 20 0 BCADHN CC1(C)CO[C@@H](CN2CC[C@@H](O)[C@@H](O)C2)C1 ZINC000879608437 590827574 /nfs/dbraw/zinc/82/75/74/590827574.db2.gz DANVOEAMLKODIG-MXWKQRLJSA-N 0 3 229.320 0.229 20 0 BCADHN CC1(C)CCC[C@@H](CN2CC[C@@H](O)[C@@H](O)C2)O1 ZINC000879608530 590827812 /nfs/dbraw/zinc/82/78/12/590827812.db2.gz IVOUPUJGJKPNHY-TUAOUCFPSA-N 0 3 243.347 0.762 20 0 BCADHN O[C@@H]1CCN(C[C@H]2CC3(CCC3)CO2)C[C@@H]1O ZINC000879608583 590828602 /nfs/dbraw/zinc/82/86/02/590828602.db2.gz LVAUZNRIPDOTMC-UTUOFQBUSA-N 0 3 241.331 0.373 20 0 BCADHN O[C@@H]1CCN(C[C@H]2CCC3(CCC3)O2)C[C@@H]1O ZINC000879608777 590828908 /nfs/dbraw/zinc/82/89/08/590828908.db2.gz ZQIQUOJDJCJPRB-UTUOFQBUSA-N 0 3 241.331 0.516 20 0 BCADHN CC1(C)C[C@@H](O)CN(CCN2CCOCC2)C1 ZINC000879618980 590831995 /nfs/dbraw/zinc/83/19/95/590831995.db2.gz JMISZQTUFRPTDV-GFCCVEGCSA-N 0 3 242.363 0.411 20 0 BCADHN C[S@](=O)CCN1C[C@@H](O)CC(C)(C)C1 ZINC000879624593 590837684 /nfs/dbraw/zinc/83/76/84/590837684.db2.gz XLMJKGCEVDYZGK-XPTSAGLGSA-N 0 3 219.350 0.458 20 0 BCADHN Cn1cc(CCN2C[C@H](O)CC(C)(C)C2)nn1 ZINC000879625521 590840309 /nfs/dbraw/zinc/84/03/09/590840309.db2.gz XQRLSWYGPAIQLM-LLVKDONJSA-N 0 3 238.335 0.450 20 0 BCADHN C[C@H](NC[C@@H]1CCC(=O)O1)c1ccnn1C ZINC000879686962 590848592 /nfs/dbraw/zinc/84/85/92/590848592.db2.gz MPHZBHVPQYLQMC-IUCAKERBSA-N 0 3 223.276 0.776 20 0 BCADHN C[C@H](NC[C@@H]1CCc2ncnn21)c1ccnn1C ZINC000879687993 590849940 /nfs/dbraw/zinc/84/99/40/590849940.db2.gz ZTCLMPVGSATZMC-UWVGGRQHSA-N 0 3 246.318 0.850 20 0 BCADHN O=C1NCCO[C@H]2CCCN(CC3CCC3)[C@@H]12 ZINC000879717955 590855310 /nfs/dbraw/zinc/85/53/10/590855310.db2.gz ITROMTJOMYOJPK-NWDGAFQWSA-N 0 3 238.331 0.766 20 0 BCADHN O=C1NCCO[C@H]2CCCN(CC3CCC3)[C@H]12 ZINC000879717957 590855650 /nfs/dbraw/zinc/85/56/50/590855650.db2.gz ITROMTJOMYOJPK-RYUDHWBXSA-N 0 3 238.331 0.766 20 0 BCADHN CNC(=O)CNC1([C@H]2CCCCO2)CCC1 ZINC000879730315 590856254 /nfs/dbraw/zinc/85/62/54/590856254.db2.gz AOYUVOGHQGGFNP-SNVBAGLBSA-N 0 3 226.320 0.814 20 0 BCADHN CONC(=O)C1CCN(CCC(C)=O)CC1 ZINC000879922563 590889160 /nfs/dbraw/zinc/88/91/60/590889160.db2.gz FJQWPFNTGCPXGF-UHFFFAOYSA-N 0 3 228.292 0.355 20 0 BCADHN CO[N-]C(=O)C1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC000879924905 590890461 /nfs/dbraw/zinc/89/04/61/590890461.db2.gz XBLDVFSPFPWIFI-LLVKDONJSA-N 0 3 244.335 0.393 20 0 BCADHN CC[C@H](C[NH+]1CCC(C(=O)[N-]OC)CC1)OC ZINC000879926205 590890736 /nfs/dbraw/zinc/89/07/36/590890736.db2.gz OEYCJSVMFDRQDL-LLVKDONJSA-N 0 3 244.335 0.801 20 0 BCADHN CCC[C@H](O)CN1CCC(CO)(CO)CC1 ZINC000879970812 590900912 /nfs/dbraw/zinc/90/09/12/590900912.db2.gz CWRXEGYUBOZOIS-NSHDSACASA-N 0 3 231.336 0.214 20 0 BCADHN OCC1(CO)CCN(C[C@@H]2CCCO2)CC1 ZINC000879968055 590901234 /nfs/dbraw/zinc/90/12/34/590901234.db2.gz ISJLVOXAGWXIEE-NSHDSACASA-N 0 3 229.320 0.232 20 0 BCADHN CCOC(=O)CCN1CCC(CO)(CO)CC1 ZINC000879967875 590901350 /nfs/dbraw/zinc/90/13/50/590901350.db2.gz GQYUXAAFSJNWAR-UHFFFAOYSA-N 0 3 245.319 0.006 20 0 BCADHN O=C(N[C@H](CO)CN1CCCC1)c1cc[nH]c1 ZINC000879998443 590906582 /nfs/dbraw/zinc/90/65/82/590906582.db2.gz RXIGEUGLMVEPSD-NSHDSACASA-N 0 3 237.303 0.201 20 0 BCADHN OC[C@H]1CN2CCC[C@H]2CN1Cc1ccccn1 ZINC000880069785 590917326 /nfs/dbraw/zinc/91/73/26/590917326.db2.gz YLXXKORIBDTSJK-UONOGXRCSA-N 0 3 247.342 0.723 20 0 BCADHN OC[C@H]1CN2CCC[C@H]2CN1Cc1cn[nH]c1 ZINC000880072042 590918793 /nfs/dbraw/zinc/91/87/93/590918793.db2.gz SUSTYSXUXXEWSW-NWDGAFQWSA-N 0 3 236.319 0.051 20 0 BCADHN CN(CCS(N)(=O)=O)C[Si](C)(C)C ZINC000880082596 590921979 /nfs/dbraw/zinc/92/19/79/590921979.db2.gz LINZYTPKCVLLDQ-UHFFFAOYSA-N 0 3 224.402 0.084 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)COC2CC2)C1 ZINC000880090133 590923517 /nfs/dbraw/zinc/92/35/17/590923517.db2.gz GYNRBXBFKCZCHA-ONGXEEELSA-N 0 3 224.304 0.328 20 0 BCADHN CN1CC[C@]2(CCN(C(=O)COC3CC3)C2)C1 ZINC000880096459 590926185 /nfs/dbraw/zinc/92/61/85/590926185.db2.gz MIKIWRDFXIMGFD-ZDUSSCGKSA-N 0 3 238.331 0.720 20 0 BCADHN Cc1nccnc1[C@@H](C)NCC[C@H]1CCNC1=O ZINC000880109053 590927536 /nfs/dbraw/zinc/92/75/36/590927536.db2.gz OQXWFJCDQZOYGV-KOLCDFICSA-N 0 3 248.330 0.962 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2CC(=O)NC1CC1 ZINC000880130845 590932658 /nfs/dbraw/zinc/93/26/58/590932658.db2.gz QEOCFNKHINYNNT-NWDGAFQWSA-N 0 3 237.347 0.434 20 0 BCADHN CCCNC(=O)CN1CC[C@@H]2[C@@H]1CCCN2C ZINC000880132207 590934140 /nfs/dbraw/zinc/93/41/40/590934140.db2.gz XEGIFIRBWSSOSV-NEPJUHHUSA-N 0 3 239.363 0.681 20 0 BCADHN CCCNC(=O)CN1CC[C@@H]2[C@H]1CCCN2C ZINC000880132210 590934747 /nfs/dbraw/zinc/93/47/47/590934747.db2.gz XEGIFIRBWSSOSV-VXGBXAGGSA-N 0 3 239.363 0.681 20 0 BCADHN Cn1ncnc1CN1CC[C@H]2[C@@H]1CCCN2C ZINC000880133136 590935716 /nfs/dbraw/zinc/93/57/16/590935716.db2.gz NJHLOFHWIATGLE-QWRGUYRKSA-N 0 3 235.335 0.484 20 0 BCADHN Cn1cc(CN2CC[C@H]3[C@@H]2CCCN3C)nn1 ZINC000880137315 590940292 /nfs/dbraw/zinc/94/02/92/590940292.db2.gz BNYMNHQYVDXYOO-RYUDHWBXSA-N 0 3 235.335 0.484 20 0 BCADHN Cn1ncc(CN2CC[C@H]3[C@@H]2CCCN3C)n1 ZINC000880142520 590942817 /nfs/dbraw/zinc/94/28/17/590942817.db2.gz PSOHEZCAZLDCCJ-RYUDHWBXSA-N 0 3 235.335 0.484 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2Cc1cnon1 ZINC000880142462 590943351 /nfs/dbraw/zinc/94/33/51/590943351.db2.gz OQEVORATXTXANH-GHMZBOCLSA-N 0 3 222.292 0.738 20 0 BCADHN CON(C)C(=O)CN1CC[C@H](C(C)(C)O)C1 ZINC000880148473 590946178 /nfs/dbraw/zinc/94/61/78/590946178.db2.gz XTIFFCRKXYZARY-VIFPVBQESA-N 0 3 230.308 0.099 20 0 BCADHN C[NH+](C)CCONC(=O)c1cc(C(F)F)n[n-]1 ZINC000880161765 590947731 /nfs/dbraw/zinc/94/77/31/590947731.db2.gz CMJIKWFLRPAMCQ-UHFFFAOYSA-N 0 3 248.233 0.570 20 0 BCADHN CN(C)CCONC(=O)c1cc(C(F)F)n[nH]1 ZINC000880161765 590947733 /nfs/dbraw/zinc/94/77/33/590947733.db2.gz CMJIKWFLRPAMCQ-UHFFFAOYSA-N 0 3 248.233 0.570 20 0 BCADHN O=C1CC2(CCC2)N(CCc2cn[nH]c2)CCN1 ZINC000880168558 590948480 /nfs/dbraw/zinc/94/84/80/590948480.db2.gz PRKDUYAVVVNLRC-UHFFFAOYSA-N 0 3 248.330 0.697 20 0 BCADHN CC(C)[C@H](O)CN1CCNC(=O)CC12CCC2 ZINC000880167224 590948734 /nfs/dbraw/zinc/94/87/34/590948734.db2.gz OHFFSCSXHVABOY-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN COC(=O)CCN1CCNC(=O)CC12CCC2 ZINC000880171947 590949741 /nfs/dbraw/zinc/94/97/41/590949741.db2.gz NIXMGEPTVULCEE-UHFFFAOYSA-N 0 3 240.303 0.294 20 0 BCADHN O=C1CC[C@@H](CN2CCC[C@H](CF)C2)N1 ZINC000880237798 590970451 /nfs/dbraw/zinc/97/04/51/590970451.db2.gz HUGRTLRNKIMYNF-ZJUUUORDSA-N 0 3 214.284 0.947 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCC(F)CC1 ZINC000880239743 590973004 /nfs/dbraw/zinc/97/30/04/590973004.db2.gz OWAOEZJOYZRTPA-JTQLQIEISA-N 0 3 203.257 0.760 20 0 BCADHN O[C@@H](Cn1cccn1)CN1CCC(F)CC1 ZINC000880243350 590976346 /nfs/dbraw/zinc/97/63/46/590976346.db2.gz XXUIDDUOJSEIIR-LLVKDONJSA-N 0 3 227.283 0.678 20 0 BCADHN O=C1CCC(=O)N1CCN1CC[C@H](CF)C1 ZINC000880294940 590989178 /nfs/dbraw/zinc/98/91/78/590989178.db2.gz GGOYIZMGWWHZIB-SECBINFHSA-N 0 3 228.267 0.427 20 0 BCADHN O=C1CC[C@H](CN2CC[C@@H](CF)C2)O1 ZINC000880299105 590994165 /nfs/dbraw/zinc/99/41/65/590994165.db2.gz CTZTYOJEGGEKOG-DTWKUNHWSA-N 0 3 201.241 0.983 20 0 BCADHN NC(=O)CN(CCC1CC1)C1CCOCC1 ZINC000880393632 591019419 /nfs/dbraw/zinc/01/94/19/591019419.db2.gz UOVPNLLQUUOTTO-UHFFFAOYSA-N 0 3 226.320 0.753 20 0 BCADHN COCCCCN(CC(N)=O)C1CCOCC1 ZINC000880393009 591019979 /nfs/dbraw/zinc/01/99/79/591019979.db2.gz LSCVURXTMRTVBV-UHFFFAOYSA-N 0 3 244.335 0.379 20 0 BCADHN COC(=O)C(C)(C)CCN1C[C@H]2C[C@@]2(O)C1 ZINC000880419734 591028709 /nfs/dbraw/zinc/02/87/09/591028709.db2.gz PHZWVNQLJCMXNJ-BXKDBHETSA-N 0 3 227.304 0.642 20 0 BCADHN COCCN(C)[C@H]1CCOC[C@H]1OC ZINC000880426895 591031882 /nfs/dbraw/zinc/03/18/82/591031882.db2.gz YRIROEKREKMURI-VHSXEESVSA-N 0 3 203.282 0.369 20 0 BCADHN CO[C@H]1COCC[C@@H]1N(C)Cc1cnn(C)c1 ZINC000880428685 591032676 /nfs/dbraw/zinc/03/26/76/591032676.db2.gz RXKNPXMGOFXIOW-RYUDHWBXSA-N 0 3 239.319 0.656 20 0 BCADHN CO[C@H]1COCC[C@H]1N(C)Cc1cnn(C)c1 ZINC000880428681 591033334 /nfs/dbraw/zinc/03/33/34/591033334.db2.gz RXKNPXMGOFXIOW-NEPJUHHUSA-N 0 3 239.319 0.656 20 0 BCADHN COC(CN(C)[C@@H]1CCOC[C@H]1OC)OC ZINC000880432425 591034870 /nfs/dbraw/zinc/03/48/70/591034870.db2.gz NWNAPTNEVOOCDV-NXEZZACHSA-N 0 3 233.308 0.341 20 0 BCADHN CO[C@@H]1COCC[C@@H]1N(C)C[C@@H]1COCCO1 ZINC000880435577 591036903 /nfs/dbraw/zinc/03/69/03/591036903.db2.gz NANSSHAYSDJNJI-GRYCIOLGSA-N 0 3 245.319 0.138 20 0 BCADHN C[C@@H]1CC[C@H](CO)N1Cc1cnn(C)c1 ZINC000880439132 591040784 /nfs/dbraw/zinc/04/07/84/591040784.db2.gz MXZANMBXPDQPJC-MWLCHTKSSA-N 0 3 209.293 0.765 20 0 BCADHN C[C@@H]1CC[C@H](CO)N1CC(=O)N1CCCCC1 ZINC000880440878 591041496 /nfs/dbraw/zinc/04/14/96/591041496.db2.gz LFQKPMFTTWBMAE-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H]1CC[C@H](CO)N1CC(=O)N1CCCC1 ZINC000880442052 591044426 /nfs/dbraw/zinc/04/44/26/591044426.db2.gz PYUVLTJUKAVEJZ-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN CCN(CC)C(=O)CN1[C@@H](C)CC[C@H]1CO ZINC000880442841 591045100 /nfs/dbraw/zinc/04/51/00/591045100.db2.gz VEMUIWNATITSPD-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN CC(C)NC(=O)NCCN1[C@@H](C)CC[C@H]1CO ZINC000880444195 591045578 /nfs/dbraw/zinc/04/55/78/591045578.db2.gz QLOYTIOHDMHKMX-QWRGUYRKSA-N 0 3 243.351 0.539 20 0 BCADHN O=C(CCN1CC=C[C@@H]1CO)NC1CCCC1 ZINC000880484832 591058397 /nfs/dbraw/zinc/05/83/97/591058397.db2.gz BNWJNXKIIXUOOM-GFCCVEGCSA-N 0 3 238.331 0.668 20 0 BCADHN OC[C@H]1C=CCN1C[C@H](O)Cc1ccccc1 ZINC000880488794 591066220 /nfs/dbraw/zinc/06/62/20/591066220.db2.gz MCSWZIPSFIRTAY-ZIAGYGMSSA-N 0 3 233.311 0.823 20 0 BCADHN Cc1nccn1CCCN1CC=C[C@@H]1CO ZINC000880488715 591066892 /nfs/dbraw/zinc/06/68/92/591066892.db2.gz KVNYZTYYBQQQSQ-GFCCVEGCSA-N 0 3 221.304 0.814 20 0 BCADHN CC1(C)OC[C@H](CCN2CC=C[C@@H]2CO)O1 ZINC000880492455 591067361 /nfs/dbraw/zinc/06/73/61/591067361.db2.gz SBCNACQHSQOAPF-MNOVXSKESA-N 0 3 227.304 0.761 20 0 BCADHN CC1(C)OC[C@H](CN2CC=C[C@H]2CO)O1 ZINC000880490560 591069113 /nfs/dbraw/zinc/06/91/13/591069113.db2.gz BPVIFWHMWWOBJF-UWVGGRQHSA-N 0 3 213.277 0.371 20 0 BCADHN NC(=O)c1ccc(CCN2CC=C[C@H]2CO)cc1 ZINC000880493978 591072376 /nfs/dbraw/zinc/07/23/76/591072376.db2.gz HRILNNCCEXUBNG-ZDUSSCGKSA-N 0 3 246.310 0.561 20 0 BCADHN CO[C@H](CN1CC=C[C@H]1CO)[C@@H]1CCOC1 ZINC000880495083 591073390 /nfs/dbraw/zinc/07/33/90/591073390.db2.gz ZHJFBKVQECJYAM-GRYCIOLGSA-N 0 3 227.304 0.271 20 0 BCADHN c1n[nH]nc1CN[C@@H]1CCC[C@]12CCCO2 ZINC000880500503 591077105 /nfs/dbraw/zinc/07/71/05/591077105.db2.gz AXMRNYIWJKCFJS-MNOVXSKESA-N 0 3 222.292 0.996 20 0 BCADHN O=C1NCC[C@@H]2CCCN(CC3CC3)[C@H]12 ZINC000880525804 591084533 /nfs/dbraw/zinc/08/45/33/591084533.db2.gz INDYWAVULHKOKP-QWRGUYRKSA-N 0 3 208.305 0.997 20 0 BCADHN O=C1NCC[C@H]2CCCN(CC3CC3)[C@H]12 ZINC000880525802 591084721 /nfs/dbraw/zinc/08/47/21/591084721.db2.gz INDYWAVULHKOKP-MNOVXSKESA-N 0 3 208.305 0.997 20 0 BCADHN C[C@H](CO)CN1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880530148 591085717 /nfs/dbraw/zinc/08/57/17/591085717.db2.gz PTLGWDJGFMAFJC-GARJFASQSA-N 0 3 226.320 0.215 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CCOC(C)C)C1 ZINC000880557692 591090341 /nfs/dbraw/zinc/09/03/41/591090341.db2.gz BEZRKBYTAOUCSZ-LLVKDONJSA-N 0 3 231.292 0.021 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CCCSC)C1 ZINC000880562365 591092332 /nfs/dbraw/zinc/09/23/32/591092332.db2.gz KEICSXNOERQQPD-SNVBAGLBSA-N 0 3 233.333 0.349 20 0 BCADHN COC(=O)[C@]1(O)CCN([C@@H]2C=CCCC2)C1 ZINC000880561680 591092836 /nfs/dbraw/zinc/09/28/36/591092836.db2.gz NWMSPUFNLJEYBO-PWSUYJOCSA-N 0 3 225.288 0.705 20 0 BCADHN CC[C@@H](CN1CC[C@](O)(C(=O)OC)C1)OC ZINC000880564511 591093209 /nfs/dbraw/zinc/09/32/09/591093209.db2.gz AOBJJGXGMDRXAS-GXSJLCMTSA-N 0 3 231.292 0.021 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CCCCCF)C1 ZINC000880564866 591094339 /nfs/dbraw/zinc/09/43/39/591094339.db2.gz GMUGZIMYMJJZGJ-LLVKDONJSA-N 0 3 233.283 0.736 20 0 BCADHN COC(=O)[C@]1(O)CCN(CCC(=O)C(C)C)C1 ZINC000880566273 591096956 /nfs/dbraw/zinc/09/69/56/591096956.db2.gz XUULGBMNEOSMCV-LBPRGKRZSA-N 0 3 243.303 0.211 20 0 BCADHN COC(=O)[C@]1(O)CCN(CC[C@H](O)C(C)C)C1 ZINC000880567886 591097711 /nfs/dbraw/zinc/09/77/11/591097711.db2.gz QSHWNVUQQKXQDA-JQWIXIFHSA-N 0 3 245.319 0.003 20 0 BCADHN COC(=O)[C@]1(O)CCN(C[C@H]2C[C@@H](OC)C2)C1 ZINC000880568032 591097796 /nfs/dbraw/zinc/09/77/96/591097796.db2.gz RVGVPRJRQQUTRU-UMNHJUIQSA-N 0 3 243.303 0.021 20 0 BCADHN COC(=O)CCCN(C)[C@@H](CC(C)C)C(N)=O ZINC000880589740 591101364 /nfs/dbraw/zinc/10/13/64/591101364.db2.gz BIBBIBQRISCAMO-JTQLQIEISA-N 0 3 244.335 0.771 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)CCC[C@@H](C)O ZINC000880590012 591103692 /nfs/dbraw/zinc/10/36/92/591103692.db2.gz JLXDTTSXEBJZJQ-MNOVXSKESA-N 0 3 230.352 0.979 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)CCc1c[nH]nn1 ZINC000880592285 591104063 /nfs/dbraw/zinc/10/40/63/591104063.db2.gz UOPCOAVKBYFMRV-JTQLQIEISA-N 0 3 239.323 0.179 20 0 BCADHN CN1CCC[C@@H]1CN1CCc2ncncc2C1 ZINC000880599822 591109466 /nfs/dbraw/zinc/10/94/66/591109466.db2.gz QYXRVKBXORGTER-GFCCVEGCSA-N 0 3 232.331 0.929 20 0 BCADHN CCOC(=O)[C@@H](CC)n1cc([C@H](C)N)nn1 ZINC000881069892 591162562 /nfs/dbraw/zinc/16/25/62/591162562.db2.gz HTVVONWRMCAUNV-IONNQARKSA-N 0 3 226.280 0.812 20 0 BCADHN CCC[C@@H](N)c1cn(CCC2OCCO2)nn1 ZINC000881194992 591168590 /nfs/dbraw/zinc/16/85/90/591168590.db2.gz WRVFDVVLZUQOMZ-SECBINFHSA-N 0 3 240.307 0.841 20 0 BCADHN C[C@H](N)c1cn(CC(=O)N(C)CC2CC2)nn1 ZINC000881258478 591176745 /nfs/dbraw/zinc/17/67/45/591176745.db2.gz RJWNNSUTNRFXSN-QMMMGPOBSA-N 0 3 237.307 0.166 20 0 BCADHN CC[C@@H](N)c1cn(CC(=O)OCC(C)C)nn1 ZINC000881308451 591185745 /nfs/dbraw/zinc/18/57/45/591185745.db2.gz CHDHWQZBQFDXIU-SECBINFHSA-N 0 3 240.307 0.887 20 0 BCADHN COC(=O)CC1(Cn2cc([C@H](C)N)nn2)CC1 ZINC000881361195 591195775 /nfs/dbraw/zinc/19/57/75/591195775.db2.gz LYZCEWYNQQYZLA-QMMMGPOBSA-N 0 3 238.291 0.641 20 0 BCADHN CC(C)c1nc(Cn2cc([C@@H](C)N)nn2)n[nH]1 ZINC000881377354 591198029 /nfs/dbraw/zinc/19/80/29/591198029.db2.gz QZVLCOSIDTVJMW-SSDOTTSWSA-N 0 3 235.295 0.588 20 0 BCADHN CC(C)c1nnc(Cn2cc([C@@H](C)N)nn2)[nH]1 ZINC000881377354 591198030 /nfs/dbraw/zinc/19/80/30/591198030.db2.gz QZVLCOSIDTVJMW-SSDOTTSWSA-N 0 3 235.295 0.588 20 0 BCADHN CC(C)c1nc(Cn2cc([C@H](C)N)nn2)n[nH]1 ZINC000881377355 591198311 /nfs/dbraw/zinc/19/83/11/591198311.db2.gz QZVLCOSIDTVJMW-ZETCQYMHSA-N 0 3 235.295 0.588 20 0 BCADHN CC(C)c1nnc(Cn2cc([C@H](C)N)nn2)[nH]1 ZINC000881377355 591198316 /nfs/dbraw/zinc/19/83/16/591198316.db2.gz QZVLCOSIDTVJMW-ZETCQYMHSA-N 0 3 235.295 0.588 20 0 BCADHN CCc1nc([C@H](C)n2cc([C@H](C)N)nn2)n[nH]1 ZINC000881385223 591199330 /nfs/dbraw/zinc/19/93/30/591199330.db2.gz MEZIBESOPVATDI-BQBZGAKWSA-N 0 3 235.295 0.588 20 0 BCADHN C[C@H](N)c1cn(C[C@@H]2COC(C)(C)O2)nn1 ZINC000881391457 591200025 /nfs/dbraw/zinc/20/00/25/591200025.db2.gz CZAROBPMSRFZDL-JGVFFNPUSA-N 0 3 226.280 0.449 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)COC1CC1 ZINC000881465988 591208256 /nfs/dbraw/zinc/20/82/56/591208256.db2.gz MFEKSJKZCLFEQX-RYUDHWBXSA-N 0 3 238.331 0.861 20 0 BCADHN COCC(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000881637476 591258720 /nfs/dbraw/zinc/25/87/20/591258720.db2.gz VMXVGVJEQJDOLX-NSHDSACASA-N 0 3 249.314 0.765 20 0 BCADHN CC(C(=O)N1CC[C@H](CF)C1)S(C)(=O)=O ZINC000881665509 591260964 /nfs/dbraw/zinc/26/09/64/591260964.db2.gz HVGGTJNVJJTRCB-HTQZYQBOSA-N 0 3 237.296 0.238 20 0 BCADHN CN1CCC[C@H](CNS(=O)(=O)C2CCC2)C1 ZINC000881873093 591276171 /nfs/dbraw/zinc/27/61/71/591276171.db2.gz WDAOBNCJSHYIMH-SNVBAGLBSA-N 0 3 246.376 0.800 20 0 BCADHN CC(C)N(C)CCNS(=O)(=O)C1CCC1 ZINC000882101975 591298073 /nfs/dbraw/zinc/29/80/73/591298073.db2.gz BNPFQHKLDOXLOQ-UHFFFAOYSA-N 0 3 234.365 0.799 20 0 BCADHN CC(C)[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)N(C)C ZINC000882338799 591333629 /nfs/dbraw/zinc/33/36/29/591333629.db2.gz CNYIBLVMSYLGIH-CKYFFXLPSA-N 0 3 226.320 0.166 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)C1(N(C)C)CC1 ZINC000882493563 591376287 /nfs/dbraw/zinc/37/62/87/591376287.db2.gz JGDSBULGSCMLLA-SNVBAGLBSA-N 0 3 225.336 0.291 20 0 BCADHN CNC(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000882619350 591400402 /nfs/dbraw/zinc/40/04/02/591400402.db2.gz HSMKKFHQBQBFHU-SNVBAGLBSA-N 0 3 234.303 0.932 20 0 BCADHN Cc1ncnc(NCCN2CC[C@@H](O)C2)c1C ZINC000882662110 591407637 /nfs/dbraw/zinc/40/76/37/591407637.db2.gz AHRLOACJUKDIQW-LLVKDONJSA-N 0 3 236.319 0.572 20 0 BCADHN CCNCC(=O)NCc1ccncc1C ZINC000129837006 591412626 /nfs/dbraw/zinc/41/26/26/591412626.db2.gz ROGCNYSECPXJHR-UHFFFAOYSA-N 0 3 207.277 0.616 20 0 BCADHN Fc1nccnc1NC[C@H]1CSCCN1 ZINC000882728834 591423365 /nfs/dbraw/zinc/42/33/65/591423365.db2.gz JJZORQDNHBVLLI-ZETCQYMHSA-N 0 3 228.296 0.733 20 0 BCADHN CC[C@@H](N)C(=O)N[C@](C)(CC)CC(=O)OC ZINC000130202035 591447637 /nfs/dbraw/zinc/44/76/37/591447637.db2.gz ZQORBXLYLWQHPZ-LDYMZIIASA-N 0 3 230.308 0.572 20 0 BCADHN O=c1oc2ccc(CNCCO)cc2o1 ZINC000882880539 591461497 /nfs/dbraw/zinc/46/14/97/591461497.db2.gz XNAYGYFLLRFTLU-UHFFFAOYSA-N 0 3 209.201 0.468 20 0 BCADHN CCN1CC[C@H]1CNc1ncnc2c1nnn2C ZINC000882958479 591483380 /nfs/dbraw/zinc/48/33/80/591483380.db2.gz BJJXOUBWJCWEAI-QMMMGPOBSA-N 0 3 247.306 0.264 20 0 BCADHN CCN1CC[C@H]1CNc1ccncc1C(N)=O ZINC000882960639 591484677 /nfs/dbraw/zinc/48/46/77/591484677.db2.gz QRQBQOCBOMZDTM-VIFPVBQESA-N 0 3 234.303 0.109 20 0 BCADHN CC[C@@H](C(=O)N1CCc2ncncc2C1)N(C)C ZINC000883037412 591522893 /nfs/dbraw/zinc/52/28/93/591522893.db2.gz WYKYKRUTXYNBHX-LBPRGKRZSA-N 0 3 248.330 0.702 20 0 BCADHN CC[C@H](COC)NCCS(=O)(=O)CC1CC1 ZINC000130840314 591527015 /nfs/dbraw/zinc/52/70/15/591527015.db2.gz YIAKZGUHSZXUDS-LLVKDONJSA-N 0 3 249.376 0.826 20 0 BCADHN CON(C)CCNCc1cnccc1C ZINC000883171563 591558448 /nfs/dbraw/zinc/55/84/48/591558448.db2.gz BZFBMNBJCHBKKT-UHFFFAOYSA-N 0 3 209.293 0.973 20 0 BCADHN CCN(CCO)CCNCc1cc(C)on1 ZINC000883089442 591538471 /nfs/dbraw/zinc/53/84/71/591538471.db2.gz KIMHTGUTJDDZEU-UHFFFAOYSA-N 0 3 227.308 0.387 20 0 BCADHN OC[C@@H](O)CNCc1cccc2c1CCOC2 ZINC000883106468 591540920 /nfs/dbraw/zinc/54/09/20/591540920.db2.gz UCVFUMANRLUIKJ-LBPRGKRZSA-N 0 3 237.299 0.202 20 0 BCADHN CON(C)CCNCc1cnccc1N(C)C ZINC000883171977 591560128 /nfs/dbraw/zinc/56/01/28/591560128.db2.gz OQQKTBAMQIQQGJ-UHFFFAOYSA-N 0 3 238.335 0.730 20 0 BCADHN COc1cc(CNCCN(C)OC)sn1 ZINC000883170928 591561036 /nfs/dbraw/zinc/56/10/36/591561036.db2.gz JEWMEDMORKSAPC-UHFFFAOYSA-N 0 3 231.321 0.735 20 0 BCADHN CON(C)CCNCc1ccc(=O)[nH]c1 ZINC000883170844 591561150 /nfs/dbraw/zinc/56/11/50/591561150.db2.gz GDXLAKWBNAMFIV-UHFFFAOYSA-N 0 3 211.265 0.370 20 0 BCADHN CON(C)CCNCc1ccns1 ZINC000883170921 591561262 /nfs/dbraw/zinc/56/12/62/591561262.db2.gz JBVAUIVAKHNBPM-UHFFFAOYSA-N 0 3 201.295 0.726 20 0 BCADHN CCn1cc(CNCCN(C)OC)cn1 ZINC000883172479 591562774 /nfs/dbraw/zinc/56/27/74/591562774.db2.gz IGEZXDRLKXXJMJ-UHFFFAOYSA-N 0 3 212.297 0.486 20 0 BCADHN CCN(CC)CCSc1nnc(C)n1N ZINC000131168951 591564677 /nfs/dbraw/zinc/56/46/77/591564677.db2.gz OAILUYCOZRQQLA-UHFFFAOYSA-N 0 3 229.353 0.734 20 0 BCADHN COC[C@@H](NCCF)[C@H]1CCCOC1 ZINC000883221184 591576472 /nfs/dbraw/zinc/57/64/72/591576472.db2.gz VXDKKTPANWBLRI-VHSXEESVSA-N 0 3 205.273 0.987 20 0 BCADHN CCC(CC)NCc1nnc2c(=O)n(C)ccn12 ZINC000883331714 591617760 /nfs/dbraw/zinc/61/77/60/591617760.db2.gz DPMRYZCATSRYQO-UHFFFAOYSA-N 0 3 249.318 0.706 20 0 BCADHN CN(CCNCc1ccoc1)CCOCCO ZINC000883351081 591624302 /nfs/dbraw/zinc/62/43/02/591624302.db2.gz WWNUWDYPLOEBBW-UHFFFAOYSA-N 0 3 242.319 0.310 20 0 BCADHN COC(=O)/C(C)=C\CN1CCN(C)[C@H](C)C1 ZINC000214568861 591635362 /nfs/dbraw/zinc/63/53/62/591635362.db2.gz JRVHJTYCINPLSE-GULOHRGCSA-N 0 3 226.320 0.742 20 0 BCADHN CC(C)OC[C@H](C)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883380327 591637916 /nfs/dbraw/zinc/63/79/16/591637916.db2.gz IODALGVIOHOCNB-DCAQKATOSA-N 0 3 249.376 0.965 20 0 BCADHN CN(CCNC(=O)N1CC=C[C@@H]1CO)C1CC1 ZINC000883399064 591646247 /nfs/dbraw/zinc/64/62/47/591646247.db2.gz CCMCTVZARLDADN-LLVKDONJSA-N 0 3 239.319 0.023 20 0 BCADHN CCN(CC(=O)N(C)C)C[C@@H]1C[C@H](F)CN1 ZINC000883419482 591655598 /nfs/dbraw/zinc/65/55/98/591655598.db2.gz MIATVSRNTVKGJU-UWVGGRQHSA-N 0 3 231.315 0.097 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1C[C@@H]1C[C@H](F)CN1 ZINC000883419339 591655828 /nfs/dbraw/zinc/65/58/28/591655828.db2.gz IMQYXTVPXPAHTD-DCAQKATOSA-N 0 3 243.326 0.287 20 0 BCADHN Cn1cncc1CCN1CCNC[C@@H]1C(F)F ZINC000883428095 591660334 /nfs/dbraw/zinc/66/03/34/591660334.db2.gz LLEONNSDISDYIZ-SNVBAGLBSA-N 0 3 244.289 0.502 20 0 BCADHN Cc1nonc1CN1CCNC[C@@](C)(F)C1 ZINC000883428818 591660916 /nfs/dbraw/zinc/66/09/16/591660916.db2.gz CUNIMMYZBWVTAL-SNVBAGLBSA-N 0 3 228.271 0.511 20 0 BCADHN CN(C)C(=O)[C@@H]1CCCN1C[C@@H]1C[C@H](F)CN1 ZINC000883437653 591667629 /nfs/dbraw/zinc/66/76/29/591667629.db2.gz XKUJFSXIFYRTKZ-DCAQKATOSA-N 0 3 243.326 0.239 20 0 BCADHN COc1ccc([C@@H]2CNCCN2CC(N)=O)cc1 ZINC000883451282 591672109 /nfs/dbraw/zinc/67/21/09/591672109.db2.gz LEINDADGHNYDQR-LBPRGKRZSA-N 0 3 249.314 0.127 20 0 BCADHN CCN(C/C=C(\C)C(=O)OC)CCO ZINC000214637676 591672594 /nfs/dbraw/zinc/67/25/94/591672594.db2.gz QDMRNTMTNZAEJR-WEVVVXLNSA-N 0 3 201.266 0.420 20 0 BCADHN CCN1CCN(C/C=C(\C)C(=O)OC)CC1 ZINC000214619237 591675849 /nfs/dbraw/zinc/67/58/49/591675849.db2.gz FUJIHAQISRYGRQ-VZUCSPMQSA-N 0 3 226.320 0.743 20 0 BCADHN CC(C)CONC(=O)NC[C@](C)(O)CN(C)C ZINC000131941240 591677925 /nfs/dbraw/zinc/67/79/25/591677925.db2.gz MWWGNDRFKWQOLY-NSHDSACASA-N 0 3 247.339 0.186 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H](CCO)C1CC1 ZINC000132280232 591697241 /nfs/dbraw/zinc/69/72/41/591697241.db2.gz WMJHDVLSDSPPPV-PSASIEDQSA-N 0 3 235.349 0.170 20 0 BCADHN O=S1(=O)CCC[C@H](N[C@@H](CCO)C2CC2)C1 ZINC000132278852 591697371 /nfs/dbraw/zinc/69/73/71/591697371.db2.gz JRSKZUCVTZXMIS-QWRGUYRKSA-N 0 3 247.360 0.314 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H](CCO)C1CC1 ZINC000132281436 591698425 /nfs/dbraw/zinc/69/84/25/591698425.db2.gz QZPNYTSLMKSIPR-GXSJLCMTSA-N 0 3 249.376 0.560 20 0 BCADHN CCN1CC[C@H]1CNC(=O)NC[C@H](C)N(C)C ZINC000883679277 591717614 /nfs/dbraw/zinc/71/76/14/591717614.db2.gz FNYVQTLQAGBJFE-QWRGUYRKSA-N 0 3 242.367 0.330 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@@H](CF)C1 ZINC000883698138 591722171 /nfs/dbraw/zinc/72/21/71/591722171.db2.gz YWYVNCRVVHFGLP-UWVGGRQHSA-N 0 3 231.315 0.938 20 0 BCADHN C[C@H](CCO)N[C@H]1CCCCNC1=O ZINC000132972299 591752673 /nfs/dbraw/zinc/75/26/73/591752673.db2.gz MKVQICKSFYFRFI-BDAKNGLRSA-N 0 3 200.282 0.016 20 0 BCADHN Cc1cc(N[C@H](C)CC[S@@](C)=O)nc(N)n1 ZINC000133058239 591761292 /nfs/dbraw/zinc/76/12/92/591761292.db2.gz OINGVHKBHRIGLZ-QZTNRIJFSA-N 0 3 242.348 0.936 20 0 BCADHN CCN1CCC[C@@H]1CNC(=S)NCCCO ZINC000884003621 591793658 /nfs/dbraw/zinc/79/36/58/591793658.db2.gz CGZLWKUBPGYWAR-SNVBAGLBSA-N 0 3 245.392 0.317 20 0 BCADHN NCc1cccc(NC(=O)C[C@@H]2CCNC2=O)c1 ZINC000884007060 591794429 /nfs/dbraw/zinc/79/44/29/591794429.db2.gz NQJOXLXOKOXMQI-JTQLQIEISA-N 0 3 247.298 0.610 20 0 BCADHN O=C(c1ccn2nccc2n1)N1CCCNCC1 ZINC000884009448 591796637 /nfs/dbraw/zinc/79/66/37/591796637.db2.gz WTBPWQFKETWXDF-UHFFFAOYSA-N 0 3 245.286 0.165 20 0 BCADHN CCOC[C@@H](C)NCC[S@](=O)CC ZINC000133494911 591805204 /nfs/dbraw/zinc/80/52/04/591805204.db2.gz KSDWAQPMQQVPOU-RNCFNFMXSA-N 0 3 207.339 0.770 20 0 BCADHN CC(C)NC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884043494 591824418 /nfs/dbraw/zinc/82/44/18/591824418.db2.gz WSNSMBXXTZFMHI-UHFFFAOYSA-N 0 3 248.330 0.629 20 0 BCADHN COCC[C@H](N)C(=O)Nc1n[nH]c2ccccc21 ZINC000884048500 591827442 /nfs/dbraw/zinc/82/74/42/591827442.db2.gz MVEBZOWDOODSOI-VIFPVBQESA-N 0 3 248.286 0.865 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000889041852 591831301 /nfs/dbraw/zinc/83/13/01/591831301.db2.gz 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239.275 0.393 20 0 BCADHN C[C@H](C(=O)N1C[C@@H](C)NC[C@@H]1C)c1cncnc1 ZINC000884245455 591881909 /nfs/dbraw/zinc/88/19/09/591881909.db2.gz WMUOADZFKOHBMP-VWYCJHECSA-N 0 3 248.330 0.789 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@@H](C)CO2)CCN1 ZINC000884266927 591888636 /nfs/dbraw/zinc/88/86/36/591888636.db2.gz NFFHSFZAPPQWRW-UTUOFQBUSA-N 0 3 240.347 0.868 20 0 BCADHN Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)nc1 ZINC000884292881 591895688 /nfs/dbraw/zinc/89/56/88/591895688.db2.gz NESBXADWDHDPHJ-UWVGGRQHSA-N 0 3 237.278 0.820 20 0 BCADHN CO[C@@H](CN)C(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000884312545 591902328 /nfs/dbraw/zinc/90/23/28/591902328.db2.gz IQHMXXWPWJJLES-USZNOCQGSA-N 0 3 240.347 0.997 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000884321194 591903131 /nfs/dbraw/zinc/90/31/31/591903131.db2.gz IJAYUWAMOQYTNW-VWYCJHECSA-N 0 3 242.319 0.034 20 0 BCADHN COCCN(C)CCNC(=O)N1CCCCC1 ZINC000134271485 591907699 /nfs/dbraw/zinc/90/76/99/591907699.db2.gz ZZBFXTLEJFPDDY-UHFFFAOYSA-N 0 3 243.351 0.760 20 0 BCADHN O=C(/C=C/c1ccco1)NC[C@H]1CNCCO1 ZINC000134257659 591907589 /nfs/dbraw/zinc/90/75/89/591907589.db2.gz DWVYIHKJFLTAIR-PGLGOXFNSA-N 0 3 236.271 0.397 20 0 BCADHN COCC[C@H](N)C(=O)N[C@H](C)COCC1CC1 ZINC000884387622 591921749 /nfs/dbraw/zinc/92/17/49/591921749.db2.gz ZEUADMPBXLAVES-KOLCDFICSA-N 0 3 244.335 0.282 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000884384870 591921959 /nfs/dbraw/zinc/92/19/59/591921959.db2.gz YXSNIHSJENJJLJ-JQWIXIFHSA-N 0 3 249.314 0.113 20 0 BCADHN CC[C@@H](NC(=O)[C@H](CN)OC)[C@@H]1CCCCO1 ZINC000884392982 591922831 /nfs/dbraw/zinc/92/28/31/591922831.db2.gz RQWVADZCLGHREF-VWYCJHECSA-N 0 3 244.335 0.424 20 0 BCADHN CCN(C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000134392547 591923941 /nfs/dbraw/zinc/92/39/41/591923941.db2.gz AKHBXXYYGSVSHM-GHMZBOCLSA-N 0 3 241.335 0.511 20 0 BCADHN COc1ccc(N(C)C(=O)[C@H](CN)OC)cn1 ZINC000884412606 591927733 /nfs/dbraw/zinc/92/77/33/591927733.db2.gz VUSYUDXISXSJGA-VIFPVBQESA-N 0 3 239.275 0.027 20 0 BCADHN CCc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)no1 ZINC000884419094 591929032 /nfs/dbraw/zinc/92/90/32/591929032.db2.gz HAICMFCOYSBUDP-RKDXNWHRSA-N 0 3 241.266 0.748 20 0 BCADHN COCC[C@H](N)C(=O)N(C)C[C@@H]1CC1(C)C ZINC000884421299 591929789 /nfs/dbraw/zinc/92/97/89/591929789.db2.gz QYOINTUMZPKXFG-UWVGGRQHSA-N 0 3 228.336 0.855 20 0 BCADHN COCC[C@H](N)C(=O)N[C@]12C[C@H]1COC2(C)C ZINC000884430872 591932691 /nfs/dbraw/zinc/93/26/91/591932691.db2.gz DJTWOACWCHFMDM-HOTUBEGUSA-N 0 3 242.319 0.034 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1F ZINC000884460190 591940908 /nfs/dbraw/zinc/94/09/08/591940908.db2.gz SFWQQIXJXBPVNO-LPEHRKFASA-N 0 3 232.299 0.747 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cnn2c1CCCC2 ZINC000884461389 591941182 /nfs/dbraw/zinc/94/11/82/591941182.db2.gz DCJNMZHEZPFGOD-JTQLQIEISA-N 0 3 238.291 0.132 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000884465823 591943019 /nfs/dbraw/zinc/94/30/19/591943019.db2.gz KHJUJPFEYGJFNJ-DSYKOEDSSA-N 0 3 240.225 0.417 20 0 BCADHN C[C@H](CCO)NCc1ccnc(N(C)C)n1 ZINC000134795709 591949663 /nfs/dbraw/zinc/94/96/63/591949663.db2.gz HZYMUDJDPHOPPP-SECBINFHSA-N 0 3 224.308 0.403 20 0 BCADHN Cn1cc([C@H](CO)N[C@H]2CCCSC2)cn1 ZINC000134817010 591952152 /nfs/dbraw/zinc/95/21/52/591952152.db2.gz FDAUHENMOOAJHU-QWRGUYRKSA-N 0 3 241.360 0.939 20 0 BCADHN CCc1nccc(N[C@@H](CO)CN(C)C)n1 ZINC000884508713 591961008 /nfs/dbraw/zinc/96/10/08/591961008.db2.gz NDAYZMDUFMFVAH-SECBINFHSA-N 0 3 224.308 0.373 20 0 BCADHN CCc1nccc(NCCN2CC[C@@H](O)C2)n1 ZINC000884566957 591983239 /nfs/dbraw/zinc/98/32/39/591983239.db2.gz YFPNFNTUBGWJSB-SNVBAGLBSA-N 0 3 236.319 0.518 20 0 BCADHN COC(=O)/C(C)=C/CN(C)C(C)(C)CO ZINC000135355508 592008920 /nfs/dbraw/zinc/00/89/20/592008920.db2.gz OCDNBLGAQSSXHH-RMKNXTFCSA-N 0 3 215.293 0.808 20 0 BCADHN CSc1cnc(NCCN(C)CCO)nc1 ZINC000884825059 592021944 /nfs/dbraw/zinc/02/19/44/592021944.db2.gz CLAOPGJYKAQOBW-UHFFFAOYSA-N 0 3 242.348 0.535 20 0 BCADHN CC(C)c1noc(NCCN(C)CCO)n1 ZINC000884824666 592022149 /nfs/dbraw/zinc/02/21/49/592022149.db2.gz GUYLZKZKCYTWRT-UHFFFAOYSA-N 0 3 228.296 0.529 20 0 BCADHN CC(C)c1noc([N-]CC[N@H+](C)CCO)n1 ZINC000884824666 592022151 /nfs/dbraw/zinc/02/21/51/592022151.db2.gz GUYLZKZKCYTWRT-UHFFFAOYSA-N 0 3 228.296 0.529 20 0 BCADHN CC(C)c1noc([N-]CC[N@@H+](C)CCO)n1 ZINC000884824666 592022153 /nfs/dbraw/zinc/02/21/53/592022153.db2.gz GUYLZKZKCYTWRT-UHFFFAOYSA-N 0 3 228.296 0.529 20 0 BCADHN Cc1nc(Cl)cc(NCCN(C)CCO)n1 ZINC000884823977 592022731 /nfs/dbraw/zinc/02/27/31/592022731.db2.gz MTJGDPUAJXELIK-UHFFFAOYSA-N 0 3 244.726 0.774 20 0 BCADHN CN(CCO)CCNc1cncc(Cl)n1 ZINC000884824070 592023136 /nfs/dbraw/zinc/02/31/36/592023136.db2.gz PVBBRNPFFJNCQW-UHFFFAOYSA-N 0 3 230.699 0.466 20 0 BCADHN CC(C)c1nnc(NCCN(C)CCO)o1 ZINC000884825268 592023890 /nfs/dbraw/zinc/02/38/90/592023890.db2.gz NYRVIEZLCGNTLZ-UHFFFAOYSA-N 0 3 228.296 0.529 20 0 BCADHN COCCOC(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000884930368 592030264 /nfs/dbraw/zinc/03/02/64/592030264.db2.gz SAFDIRZFZWDSCL-SNVBAGLBSA-N 0 3 242.319 0.843 20 0 BCADHN COCCNCCNC(=O)NC1CCCC1 ZINC000216430886 592030621 /nfs/dbraw/zinc/03/06/21/592030621.db2.gz WQRIPBLDOHPPKR-UHFFFAOYSA-N 0 3 229.324 0.464 20 0 BCADHN COCCOC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000885004086 592033568 /nfs/dbraw/zinc/03/35/68/592033568.db2.gz PPUFATONCHVWNZ-NSHDSACASA-N 0 3 242.319 0.843 20 0 BCADHN C[C@H]1C(=O)CCCN1C(=O)C1CCN(C)CC1 ZINC000885043319 592038216 /nfs/dbraw/zinc/03/82/16/592038216.db2.gz HKFIWEXAOFGDFC-JTQLQIEISA-N 0 3 238.331 0.908 20 0 BCADHN COCCOC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000885053162 592040138 /nfs/dbraw/zinc/04/01/38/592040138.db2.gz HQMLNASJHWRXST-ZJUUUORDSA-N 0 3 242.319 0.984 20 0 BCADHN COCCOC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000885053159 592040397 /nfs/dbraw/zinc/04/03/97/592040397.db2.gz HQMLNASJHWRXST-NXEZZACHSA-N 0 3 242.319 0.984 20 0 BCADHN COCCOC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000885055500 592041224 /nfs/dbraw/zinc/04/12/24/592041224.db2.gz XYAZTVBKTHPXNJ-GXSJLCMTSA-N 0 3 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592371733 /nfs/dbraw/zinc/37/17/33/592371733.db2.gz YSKIPIOXVPUDAJ-MNOVXSKESA-N 0 3 242.319 0.843 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@@H]2CCCOC2)C1 ZINC000886860286 592372412 /nfs/dbraw/zinc/37/24/12/592372412.db2.gz YSKIPIOXVPUDAJ-QWRGUYRKSA-N 0 3 242.319 0.843 20 0 BCADHN Nc1ccnc(CNS(=O)(=O)CCCF)c1 ZINC000886893067 592389700 /nfs/dbraw/zinc/38/97/00/592389700.db2.gz BRRSNVUEQRDKIF-UHFFFAOYSA-N 0 3 247.295 0.443 20 0 BCADHN Nc1cc[nH+]c(C[N-]S(=O)(=O)CCCF)c1 ZINC000886893067 592389701 /nfs/dbraw/zinc/38/97/01/592389701.db2.gz BRRSNVUEQRDKIF-UHFFFAOYSA-N 0 3 247.295 0.443 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H]1C[C@H](CO)C1)N(C)C ZINC000886892905 592389811 /nfs/dbraw/zinc/38/98/11/592389811.db2.gz VICUTGNZEZJUSU-DCAQKATOSA-N 0 3 228.336 0.460 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1C[C@H](CO)C1 ZINC000886895933 592391174 /nfs/dbraw/zinc/39/11/74/592391174.db2.gz QMRFKAQYWLDCTH-MGCOHNPYSA-N 0 3 214.309 0.214 20 0 BCADHN COC[C@H](NCC1OCCO1)[C@@H]1CCCOC1 ZINC000886913729 592394873 /nfs/dbraw/zinc/39/48/73/592394873.db2.gz IYSHNXRKROJYRT-MNOVXSKESA-N 0 3 245.319 0.391 20 0 BCADHN COC[C@H](NCC(C)=O)[C@@H]1CCCOC1 ZINC000886915527 592394963 /nfs/dbraw/zinc/39/49/63/592394963.db2.gz FRNTXOQSFAJGGV-MNOVXSKESA-N 0 3 215.293 0.607 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1Cc1ccn(C)c(=O)c1 ZINC000887030474 592422656 /nfs/dbraw/zinc/42/26/56/592422656.db2.gz NWAPBCJCPKOZDM-ZYHUDNBSSA-N 0 3 236.315 0.731 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1C[C@H]1CC2(CC2)C(=O)O1 ZINC000887032500 592425581 /nfs/dbraw/zinc/42/55/81/592425581.db2.gz ALOKWBGONNQEQO-GMTAPVOTSA-N 0 3 239.315 0.927 20 0 BCADHN CCCNC(=S)NC[C@@H]1CCCN1C ZINC000139748039 592431539 /nfs/dbraw/zinc/43/15/39/592431539.db2.gz UTKHXRFXEOXUND-VIFPVBQESA-N 0 3 215.366 0.955 20 0 BCADHN CC[C@H](C)[C@H](NC[C@@H]1CCC(=O)O1)C(N)=O ZINC000887055840 592432350 /nfs/dbraw/zinc/43/23/50/592432350.db2.gz NTXBOUUNSSJUDN-NRPADANISA-N 0 3 228.292 0.182 20 0 BCADHN CC[C@H](C)[C@H](NCC1(C(=O)OC)CC1)C(N)=O ZINC000887057433 592433147 /nfs/dbraw/zinc/43/31/47/592433147.db2.gz FXJOEWXDHBUWHI-IUCAKERBSA-N 0 3 242.319 0.429 20 0 BCADHN CN(CCCF)C[C@H](O)COC1CCOCC1 ZINC000887138799 592453701 /nfs/dbraw/zinc/45/37/01/592453701.db2.gz MJYHIHIBSARPIH-NSHDSACASA-N 0 3 249.326 0.834 20 0 BCADHN C[C@H]1CN(CCN(C)CCCF)CCO1 ZINC000887141092 592454658 /nfs/dbraw/zinc/45/46/58/592454658.db2.gz FSZWDURLFSSSSS-NSHDSACASA-N 0 3 218.316 0.999 20 0 BCADHN CN(Cc1cccc(=O)[nH]1)C(=O)[C@H]1CCCN1C ZINC000887157977 592463751 /nfs/dbraw/zinc/46/37/51/592463751.db2.gz CLULBEXJACXUQY-LLVKDONJSA-N 0 3 249.314 0.840 20 0 BCADHN COCC[C@H](N)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000222572961 592488091 /nfs/dbraw/zinc/48/80/91/592488091.db2.gz YBDHDHYRZAVJBF-UTLUCORTSA-N 0 3 214.309 0.607 20 0 BCADHN CCOC[C@H](O)CN1CCN(C)[C@@H](C)C1 ZINC000223033985 592515025 /nfs/dbraw/zinc/51/50/25/592515025.db2.gz OHQNTQHRDSRGAC-WDEREUQCSA-N 0 3 216.325 0.020 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@H]1CCOC[C@@H]1C ZINC000300866083 592522275 /nfs/dbraw/zinc/52/22/75/592522275.db2.gz OTUZWQZXCVYKJF-QWRGUYRKSA-N 0 3 249.376 0.824 20 0 BCADHN CCS(=O)(=O)CCN[C@@H](C)C(C)(C)OC ZINC000300934377 592525502 /nfs/dbraw/zinc/52/55/02/592525502.db2.gz FTTCDXGIDWUYTJ-VIFPVBQESA-N 0 3 237.365 0.824 20 0 BCADHN COC(C)(C)[C@H](C)NCCS(C)(=O)=O ZINC000301025847 592526962 /nfs/dbraw/zinc/52/69/62/592526962.db2.gz RWMHOAKUZUFEAF-QMMMGPOBSA-N 0 3 223.338 0.434 20 0 BCADHN CN1CCC(NC(=O)N2C[C@@H]3C[C@@H]3C2)CC1 ZINC000887613188 592534103 /nfs/dbraw/zinc/53/41/03/592534103.db2.gz TZIXBUNRFBBQTK-AOOOYVTPSA-N 0 3 223.320 0.742 20 0 BCADHN Cc1nonc1Cn1cc([C@@H](N)C(C)C)nn1 ZINC000302270496 592546018 /nfs/dbraw/zinc/54/60/18/592546018.db2.gz CXMMROKHSYLERF-JTQLQIEISA-N 0 3 236.279 0.674 20 0 BCADHN NC(=O)c1ccccc1NC(=O)[C@@H](N)CC1CC1 ZINC000302665008 592551734 /nfs/dbraw/zinc/55/17/34/592551734.db2.gz KASZJBJNQRIFEE-JTQLQIEISA-N 0 3 247.298 0.851 20 0 BCADHN CN1C[C@@H]2CN(C(=O)c3ccnnc3)C[C@]2(C)C1 ZINC000887930576 592559630 /nfs/dbraw/zinc/55/96/30/592559630.db2.gz ONNZVUXXSZVBNV-YPMHNXCESA-N 0 3 246.314 0.500 20 0 BCADHN CN(CCO)CCNC(=O)Nc1ccccn1 ZINC000887939645 592561898 /nfs/dbraw/zinc/56/18/98/592561898.db2.gz KSCGETWOOZOKDU-UHFFFAOYSA-N 0 3 238.291 0.127 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H]1C(=O)OC ZINC000888054918 592569534 /nfs/dbraw/zinc/56/95/34/592569534.db2.gz VBVHERVXZRDXAJ-VIFPVBQESA-N 0 3 228.292 0.102 20 0 BCADHN COC(=O)[C@H]1CCN1C(=O)CN(C)C(C)C ZINC000888054516 592569567 /nfs/dbraw/zinc/56/95/67/592569567.db2.gz NMENIPPBNAXVMY-SECBINFHSA-N 0 3 228.292 0.101 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000889207322 592588701 /nfs/dbraw/zinc/58/87/01/592588701.db2.gz ZJTNQMBTXKHLNX-SRVKXCTJSA-N 0 3 240.347 0.964 20 0 BCADHN COC/C=C\C(=O)N1CCC12CCN(C)CC2 ZINC000889220420 592589541 /nfs/dbraw/zinc/58/95/41/592589541.db2.gz XGSZZXAXKPSEHG-ARJAWSKDSA-N 0 3 238.331 0.886 20 0 BCADHN CCC[C@H](O)C(=O)N1CCC12CCN(C)CC2 ZINC000889218041 592589932 /nfs/dbraw/zinc/58/99/32/592589932.db2.gz LPAWATDVNNJUDY-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN Cc1nnc(CNC(=O)C2(N(C)C)CCC2)[nH]1 ZINC000889701213 592647679 /nfs/dbraw/zinc/64/76/79/592647679.db2.gz NTURUWISGAIWJP-UHFFFAOYSA-N 0 3 237.307 0.214 20 0 BCADHN CC(C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889774337 592653796 /nfs/dbraw/zinc/65/37/96/592653796.db2.gz HJCRQFBTHGNSCP-NEPJUHHUSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)N(C)CC(=O)NC1CC(CCO)C1 ZINC000889975099 592665666 /nfs/dbraw/zinc/66/56/66/592665666.db2.gz WVUFECDSYKTVSS-UHFFFAOYSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)[C@@H](O)C(=O)NCCN1CCC(C)(C)C1 ZINC000890071595 592675582 /nfs/dbraw/zinc/67/55/82/592675582.db2.gz BCVFFXFASPKQJR-LLVKDONJSA-N 0 3 242.363 0.851 20 0 BCADHN CC1(C)CCN(CCNC(=O)c2ccncn2)C1 ZINC000890071847 592675862 /nfs/dbraw/zinc/67/58/62/592675862.db2.gz DIHHYTBBWPEIBM-UHFFFAOYSA-N 0 3 248.330 0.938 20 0 BCADHN CC1(C)CCN(CCNC(=O)c2cccnn2)C1 ZINC000890068128 592676066 /nfs/dbraw/zinc/67/60/66/592676066.db2.gz GMPWIHNPOGIINT-UHFFFAOYSA-N 0 3 248.330 0.938 20 0 BCADHN CC1(C)CCN(CCNC(=O)CC2COC2)C1 ZINC000890068453 592676314 /nfs/dbraw/zinc/67/63/14/592676314.db2.gz SABFZWIAUWBTGD-UHFFFAOYSA-N 0 3 240.347 0.871 20 0 BCADHN CCC[C@H](O)C(=O)NCCN1CCC(C)(C)C1 ZINC000890083329 592677947 /nfs/dbraw/zinc/67/79/47/592677947.db2.gz GAEVVTAGIOTSKM-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)Cn1ncnc1Cn1cc([C@@H](C)N)nn1 ZINC000124302401 592717791 /nfs/dbraw/zinc/71/77/91/592717791.db2.gz KZGJYDYVBTZZCE-SECBINFHSA-N 0 3 249.322 0.594 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1C[C@H](C)[C@@H](CO)C1 ZINC000362095017 592726179 /nfs/dbraw/zinc/72/61/79/592726179.db2.gz JWHIGIPSQXYIBR-SDDRHHMPSA-N 0 3 242.363 0.804 20 0 BCADHN COCC[C@@H](N)C(=O)NC[C@@H](C)C1CC1 ZINC000132959450 592740028 /nfs/dbraw/zinc/74/00/28/592740028.db2.gz WZLDVRCONCLVRF-PSASIEDQSA-N 0 3 214.309 0.513 20 0 BCADHN C[C@@H](O)C[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000095228529 599146202 /nfs/dbraw/zinc/14/62/02/599146202.db2.gz OBBHDIKZTDRASG-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN C[C@@H](O)C[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000095228529 599146204 /nfs/dbraw/zinc/14/62/04/599146204.db2.gz OBBHDIKZTDRASG-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN C[C@@H](O)C[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000095228529 599146207 /nfs/dbraw/zinc/14/62/07/599146207.db2.gz OBBHDIKZTDRASG-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN C[C@@H](O)C[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000095228529 599146210 /nfs/dbraw/zinc/14/62/10/599146210.db2.gz OBBHDIKZTDRASG-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN OCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095175522 599510178 /nfs/dbraw/zinc/51/01/78/599510178.db2.gz GRUDDCMRUQWYIU-UHFFFAOYSA-N 0 3 233.275 0.339 20 0 BCADHN OCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095175522 599510180 /nfs/dbraw/zinc/51/01/80/599510180.db2.gz GRUDDCMRUQWYIU-UHFFFAOYSA-N 0 3 233.275 0.339 20 0 BCADHN CC[N@H+](C)C[C@@H]1CCN(CCC(=O)[O-])C1 ZINC000380219770 601040204 /nfs/dbraw/zinc/04/02/04/601040204.db2.gz IZGKENPKLIGECP-JTQLQIEISA-N 0 3 214.309 0.735 20 0 BCADHN CC[N@@H+](C)C[C@@H]1CCN(CCC(=O)[O-])C1 ZINC000380219770 601040211 /nfs/dbraw/zinc/04/02/11/601040211.db2.gz IZGKENPKLIGECP-JTQLQIEISA-N 0 3 214.309 0.735 20 0 BCADHN CCN(C)C[C@@H]1CC[N@H+](CCC(=O)[O-])C1 ZINC000380219770 601040213 /nfs/dbraw/zinc/04/02/13/601040213.db2.gz IZGKENPKLIGECP-JTQLQIEISA-N 0 3 214.309 0.735 20 0 BCADHN CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)[O-])C1 ZINC000380219770 601040215 /nfs/dbraw/zinc/04/02/15/601040215.db2.gz IZGKENPKLIGECP-JTQLQIEISA-N 0 3 214.309 0.735 20 0 BCADHN O=C([O-])N1CC[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000740499057 603327665 /nfs/dbraw/zinc/32/76/65/603327665.db2.gz JORHFEULARRERL-MXWKQRLJSA-N 0 3 239.319 0.138 20 0 BCADHN O=C([O-])N1CC[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000740499051 603328308 /nfs/dbraw/zinc/32/83/08/603328308.db2.gz JORHFEULARRERL-GARJFASQSA-N 0 3 239.319 0.138 20 0 BCADHN CN1CCC[C@@H]2C[N@H+](CC(=O)[O-])CC[C@H]21 ZINC000227339978 604363719 /nfs/dbraw/zinc/36/37/19/604363719.db2.gz JGILXRJQLFNUAX-NXEZZACHSA-N 0 3 212.293 0.487 20 0 BCADHN CN1CCC[C@@H]2C[N@@H+](CC(=O)[O-])CC[C@H]21 ZINC000227339978 604363722 /nfs/dbraw/zinc/36/37/22/604363722.db2.gz JGILXRJQLFNUAX-NXEZZACHSA-N 0 3 212.293 0.487 20 0 BCADHN c1cc(-c2nnn[n-]2)ccc1C[NH2+][C@H]1CCOC1 ZINC000095146489 606720802 /nfs/dbraw/zinc/72/08/02/606720802.db2.gz TWSOUJPEUXMYII-NSHDSACASA-N 0 3 245.286 0.745 20 0 BCADHN c1cc(-c2nn[n-]n2)ccc1C[NH2+][C@H]1CCOC1 ZINC000095146489 606720804 /nfs/dbraw/zinc/72/08/04/606720804.db2.gz TWSOUJPEUXMYII-NSHDSACASA-N 0 3 245.286 0.745 20 0 BCADHN C[C@@H](O)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095225582 607151083 /nfs/dbraw/zinc/15/10/83/607151083.db2.gz RYLKAYIRIKVIAZ-SECBINFHSA-N 0 3 247.302 0.727 20 0 BCADHN C[C@@H](O)CC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095225582 607151085 /nfs/dbraw/zinc/15/10/85/607151085.db2.gz RYLKAYIRIKVIAZ-SECBINFHSA-N 0 3 247.302 0.727 20 0 BCADHN C[C@H](CO)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC000824441456 607957382 /nfs/dbraw/zinc/95/73/82/607957382.db2.gz QPHKBTQHYNYRBY-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](CO)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC000824441456 607957383 /nfs/dbraw/zinc/95/73/83/607957383.db2.gz QPHKBTQHYNYRBY-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](CO)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC000824441456 607957380 /nfs/dbraw/zinc/95/73/80/607957380.db2.gz QPHKBTQHYNYRBY-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](CO)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC000824441456 607957381 /nfs/dbraw/zinc/95/73/81/607957381.db2.gz QPHKBTQHYNYRBY-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095246779 608567262 /nfs/dbraw/zinc/56/72/62/608567262.db2.gz VFLYKDGBJRGXJP-QMMMGPOBSA-N 0 3 233.275 0.337 20 0 BCADHN C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095246779 608567263 /nfs/dbraw/zinc/56/72/63/608567263.db2.gz VFLYKDGBJRGXJP-QMMMGPOBSA-N 0 3 233.275 0.337 20 0 BCADHN CC1(C)COC[C@H]1NCC(=O)NC1CC1 ZINC000312972532 634427372 /nfs/dbraw/zinc/42/73/72/634427372.db2.gz KAWVRUZAJMYDKL-SECBINFHSA-N 0 3 212.293 0.280 20 0 BCADHN CCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCN(C)C1 ZINC000909345744 634435949 /nfs/dbraw/zinc/43/59/49/634435949.db2.gz DUWUTPIQGFHWAK-MNOVXSKESA-N 0 3 238.331 0.908 20 0 BCADHN C[C@@H]1CCCCN1C(=O)[C@H]1CNCCN1C ZINC000257753328 634492577 /nfs/dbraw/zinc/49/25/77/634492577.db2.gz NSCQZBAZADYJIB-GHMZBOCLSA-N 0 3 225.336 0.291 20 0 BCADHN CC(=O)N[C@@H]1CCN(CCn2cccn2)C1 ZINC001009801837 634578308 /nfs/dbraw/zinc/57/83/08/634578308.db2.gz FJYIKADKRWPYLZ-LLVKDONJSA-N 0 3 222.292 0.094 20 0 BCADHN CC(=O)N[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001009799076 634579587 /nfs/dbraw/zinc/57/95/87/634579587.db2.gz GHADZIBAYZVBGH-LBPRGKRZSA-N 0 3 236.319 0.173 20 0 BCADHN COC[C@H](C)N1CC[C@@H](NC(=O)C2CC2)C1 ZINC001009841692 634602441 /nfs/dbraw/zinc/60/24/41/634602441.db2.gz MURAYOCTQWGMGU-GXSJLCMTSA-N 0 3 226.320 0.622 20 0 BCADHN CCOCC(=O)N1CCCN(C)C[C@H]1CC ZINC000233973531 635295095 /nfs/dbraw/zinc/29/50/95/635295095.db2.gz ZBRURZMXADXKPU-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H](CO)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000095245197 635436848 /nfs/dbraw/zinc/43/68/48/635436848.db2.gz PSQMWUOGIOPUPF-IUCAKERBSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@@H](CO)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000095245197 635436852 /nfs/dbraw/zinc/43/68/52/635436852.db2.gz PSQMWUOGIOPUPF-IUCAKERBSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000095246533 635437178 /nfs/dbraw/zinc/43/71/78/635437178.db2.gz KGFNKQCIGDBEJB-IUCAKERBSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000095246533 635437189 /nfs/dbraw/zinc/43/71/89/635437189.db2.gz KGFNKQCIGDBEJB-IUCAKERBSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@@H](O)C[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000095246554 635436094 /nfs/dbraw/zinc/43/60/94/635436094.db2.gz SQQWRDUEHADDFG-BDAKNGLRSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@@H](O)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000095246554 635436102 /nfs/dbraw/zinc/43/61/02/635436102.db2.gz SQQWRDUEHADDFG-BDAKNGLRSA-N 0 3 247.302 0.898 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000227380324 635449331 /nfs/dbraw/zinc/44/93/31/635449331.db2.gz CIVDGHKBAQJKBO-UTLUCORTSA-N 0 3 214.309 0.607 20 0 BCADHN CCN1CC[C@@H](NC(=O)Cc2cc(C)on2)C1 ZINC001010389556 635490330 /nfs/dbraw/zinc/49/03/30/635490330.db2.gz OBSNRKDISPYJHH-SNVBAGLBSA-N 0 3 237.303 0.736 20 0 BCADHN CCNC(=O)CCN[C@@H](C)c1ccnn1C ZINC000233476759 635534524 /nfs/dbraw/zinc/53/45/24/635534524.db2.gz KBPZZQVGYSGNFA-VIFPVBQESA-N 0 3 224.308 0.597 20 0 BCADHN Cc1cc(N(C)[C@@H]2CCOC2)nc(N)n1 ZINC000096523319 635539801 /nfs/dbraw/zinc/53/98/01/635539801.db2.gz GAYTZXVSLFFDDF-MRVPVSSYSA-N 0 3 208.265 0.592 20 0 BCADHN CCOC1CC(NCCS(=O)(=O)C(C)C)C1 ZINC000233725989 635540361 /nfs/dbraw/zinc/54/03/61/635540361.db2.gz LOVBFGCGJSNGIA-UHFFFAOYSA-N 0 3 249.376 0.967 20 0 BCADHN COCC[C@H](N)C(=O)Nc1ccc(F)nc1 ZINC000234670591 635559285 /nfs/dbraw/zinc/55/92/85/635559285.db2.gz OXWJFCBDYAMFRQ-QMMMGPOBSA-N 0 3 227.239 0.523 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)c1ccc(F)cc1 ZINC000036285417 635619102 /nfs/dbraw/zinc/61/91/02/635619102.db2.gz QDNRRKZTBGMUFJ-NSHDSACASA-N 0 3 238.262 0.544 20 0 BCADHN Cc1cnnc(N2CCCN(C)CC2)c1 ZINC000891437835 631255640 /nfs/dbraw/zinc/25/56/40/631255640.db2.gz CDFKTHOZLHEOKQ-UHFFFAOYSA-N 0 3 206.293 0.927 20 0 BCADHN CN(CCO)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891446270 631318929 /nfs/dbraw/zinc/31/89/29/631318929.db2.gz VNWRBQIZSKAQMI-ZJUUUORDSA-N 0 3 233.283 0.544 20 0 BCADHN C[C@@]1(NC[C@@H](O)CO)CCOc2ccccc21 ZINC000933370475 631335117 /nfs/dbraw/zinc/33/51/17/631335117.db2.gz ONRCEHLTPXXGAZ-ZWNOBZJWSA-N 0 3 237.299 0.627 20 0 BCADHN CC(C)NCCS(=O)(=O)N=S(C)(C)=O ZINC000308660251 631349338 /nfs/dbraw/zinc/34/93/38/631349338.db2.gz PLWVXXPRRMCLOM-UHFFFAOYSA-N 0 3 242.366 0.042 20 0 BCADHN C[C@@](CO)(Cc1ccc(F)cc1)NCC(N)=O ZINC000933443112 631378411 /nfs/dbraw/zinc/37/84/11/631378411.db2.gz XAXAGCNVHYOZSV-LBPRGKRZSA-N 0 3 240.278 0.194 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)C(F)F ZINC000234336272 631394226 /nfs/dbraw/zinc/39/42/26/631394226.db2.gz RIOIPCQHHDJLIL-ZETCQYMHSA-N 0 3 206.236 0.804 20 0 BCADHN CS[C@H](C)CNC(=O)[C@@H](N)CC1CC1 ZINC000308501017 631400402 /nfs/dbraw/zinc/40/04/02/631400402.db2.gz WKBGNQYSYGEKKA-APPZFPTMSA-N 0 3 216.350 0.982 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCCCCO ZINC000308493068 631402520 /nfs/dbraw/zinc/40/25/20/631402520.db2.gz RTUPEGUIYLGRKB-VIFPVBQESA-N 0 3 200.282 0.003 20 0 BCADHN C[C@@H](O)COC(=O)C1CCCN(C2CC2)C1=O ZINC000924052302 631418593 /nfs/dbraw/zinc/41/85/93/631418593.db2.gz CWRXLIJRMJWNKB-SCZZXKLOSA-N 0 3 241.287 0.311 20 0 BCADHN CO[C@H](CN[C@@H]1CCOC1)C(F)(F)F ZINC000308597039 631435316 /nfs/dbraw/zinc/43/53/16/631435316.db2.gz MYIQETYDLXDYJC-RNFRBKRXSA-N 0 3 213.199 0.942 20 0 BCADHN COc1cccc(C(=O)N(C)CCN(C)C)n1 ZINC000084407598 631439845 /nfs/dbraw/zinc/43/98/45/631439845.db2.gz IVQKNTZDIGKDKO-UHFFFAOYSA-N 0 3 237.303 0.724 20 0 BCADHN CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001022255707 631441005 /nfs/dbraw/zinc/44/10/05/631441005.db2.gz JNQIMZDVZPTVCF-OCAPTIKFSA-N 0 3 236.275 0.053 20 0 BCADHN CCN(CCC(=O)NC)[C@H]1CCCN(C)C1=O ZINC000933863804 631535707 /nfs/dbraw/zinc/53/57/07/631535707.db2.gz ISQRTTSORNMZSL-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CNC(=O)CCCN1CCC[C@@H]1C1OCCO1 ZINC000933902448 631547181 /nfs/dbraw/zinc/54/71/81/631547181.db2.gz NKAYWDKBVXYZIH-SNVBAGLBSA-N 0 3 242.319 0.350 20 0 BCADHN CC[C@@H](CO)C(=O)N[C@@H]1CCCN(C)C1 ZINC000258668439 631576834 /nfs/dbraw/zinc/57/68/34/631576834.db2.gz CEUMVYVFKJBYLN-VHSXEESVSA-N 0 3 214.309 0.215 20 0 BCADHN O=C(C[C@@H]1CNCCO1)NC1CCSCC1 ZINC000158058708 631579327 /nfs/dbraw/zinc/57/93/27/631579327.db2.gz NWSUQIOQMCNBEL-SNVBAGLBSA-N 0 3 244.360 0.377 20 0 BCADHN CCN1C[C@H](N[C@H](C)c2cnn(C)n2)[C@@H](C)C1 ZINC000925929023 635641456 /nfs/dbraw/zinc/64/14/56/635641456.db2.gz IFQNRIWINRJQRN-UMNHJUIQSA-N 0 3 237.351 0.806 20 0 BCADHN OC[C@H]1CCN1C[C@H](O)CC1(O)CCCC1 ZINC000934014414 631596969 /nfs/dbraw/zinc/59/69/69/631596969.db2.gz IYXSIGUVIUGZBV-GHMZBOCLSA-N 0 3 229.320 0.109 20 0 BCADHN CC(C)C[C@@H](O)CN[C@H](C)c1cnnn1C ZINC000924862185 635646306 /nfs/dbraw/zinc/64/63/06/635646306.db2.gz PKLHBTPZRQPJFV-NXEZZACHSA-N 0 3 226.324 0.873 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N(CCC2(C)CC2)C1=O ZINC000924864442 635651785 /nfs/dbraw/zinc/65/17/85/635651785.db2.gz ABVVRBBYBUWPCY-VIFPVBQESA-N 0 3 239.319 0.659 20 0 BCADHN OC[C@@H]1CCN1C[C@H](O)CC1CCCC1 ZINC000934015310 631607322 /nfs/dbraw/zinc/60/73/22/631607322.db2.gz WIUBRUXIQSHXQZ-NWDGAFQWSA-N 0 3 213.321 0.994 20 0 BCADHN OC[C@@H]1CCN1C[C@@H]1CCC2(CCOCC2)O1 ZINC000934016278 631609853 /nfs/dbraw/zinc/60/98/53/631609853.db2.gz SIWXVIQKIIWBQZ-RYUDHWBXSA-N 0 3 241.331 0.781 20 0 BCADHN OC[C@H]1CCN1C[C@H](O)CC1(O)CCCCC1 ZINC000934015557 631611704 /nfs/dbraw/zinc/61/17/04/631611704.db2.gz ORRYFWVUSNSMFM-VXGBXAGGSA-N 0 3 243.347 0.499 20 0 BCADHN OC[C@@H]1CCN1C[C@@H](O)CC1(CO)CCCC1 ZINC000934017087 631613710 /nfs/dbraw/zinc/61/37/10/631613710.db2.gz YIWCVKJIEDFNRY-RYUDHWBXSA-N 0 3 243.347 0.357 20 0 BCADHN OC[C@@H]1CCN1C[C@H](O)CC1(CO)CCCC1 ZINC000934017086 631615016 /nfs/dbraw/zinc/61/50/16/631615016.db2.gz YIWCVKJIEDFNRY-NWDGAFQWSA-N 0 3 243.347 0.357 20 0 BCADHN C[C@@H]1CCCN1C(=O)CCN1CC[C@H]1CO ZINC000934027333 631620935 /nfs/dbraw/zinc/62/09/35/631620935.db2.gz QUTFKXDXMGQKHJ-MNOVXSKESA-N 0 3 226.320 0.454 20 0 BCADHN OC[C@@H]1CCN1C[C@H](O)c1ccccc1 ZINC000934020052 631621734 /nfs/dbraw/zinc/62/17/34/631621734.db2.gz VCNXKVMVRFDIAZ-RYUDHWBXSA-N 0 3 207.273 0.787 20 0 BCADHN O=C1CCCN1CCCN1CC[C@H]1CO ZINC000934028731 631629413 /nfs/dbraw/zinc/62/94/13/631629413.db2.gz ZGOYWZDVXQWYGZ-JTQLQIEISA-N 0 3 212.293 0.066 20 0 BCADHN CCOC(CN(C[C@H](C)O)[C@H](C)CO)OCC ZINC000248956631 635685701 /nfs/dbraw/zinc/68/57/01/635685701.db2.gz QHRXKIURROLLJU-MNOVXSKESA-N 0 3 249.351 0.449 20 0 BCADHN C/C=C(\C)C(=O)NCCCN1CCN(C)CC1 ZINC000176264126 631652423 /nfs/dbraw/zinc/65/24/23/631652423.db2.gz CJBWVAZQKYATIJ-UUILKARUSA-N 0 3 239.363 0.706 20 0 BCADHN Cc1cc(N)nc(NCc2cnn(C)c2)n1 ZINC000891968045 631652971 /nfs/dbraw/zinc/65/29/71/631652971.db2.gz UETCCTXVVFMWSS-UHFFFAOYSA-N 0 3 218.264 0.713 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2ccc(C=O)[nH]2)C1 ZINC000176323186 631667117 /nfs/dbraw/zinc/66/71/17/631667117.db2.gz IORMYLSPNCYZHP-SNVBAGLBSA-N 0 3 249.314 0.899 20 0 BCADHN COCCCN(C)C(=O)[C@H](N)CC1CC1 ZINC000308817557 631668177 /nfs/dbraw/zinc/66/81/77/631668177.db2.gz IVJHUESDFCYLIW-SNVBAGLBSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)CC2CC2)CCO1 ZINC000308846203 631690791 /nfs/dbraw/zinc/69/07/91/631690791.db2.gz LIXFLIFMMOFHTH-SCZZXKLOSA-N 0 3 212.293 0.361 20 0 BCADHN CC[S@@](=O)CCNC[C@@](C)(O)C(F)(F)F ZINC000308929131 631745465 /nfs/dbraw/zinc/74/54/65/631745465.db2.gz QSAIADPVYIBNGW-KWKYVRJSSA-N 0 3 247.282 0.658 20 0 BCADHN CCN(CC)CCC[NH2+][C@@H](C)C(=O)[O-] ZINC000043626517 631809508 /nfs/dbraw/zinc/80/95/08/631809508.db2.gz UJHNWBHONBMCLC-VIFPVBQESA-N 0 3 202.298 0.781 20 0 BCADHN Cc1cc(CNC[C@@](C)(O)CO)c(C)o1 ZINC000309059772 631832156 /nfs/dbraw/zinc/83/21/56/631832156.db2.gz VXFUTXNCBLFIOP-LLVKDONJSA-N 0 3 213.277 0.729 20 0 BCADHN CON(C)C(=O)CN[C@]1(C)CCO[C@@H]1C ZINC000309084458 631873285 /nfs/dbraw/zinc/87/32/85/631873285.db2.gz VKKNXFYIYWVEIT-PSASIEDQSA-N 0 3 216.281 0.163 20 0 BCADHN Cc1cc(N2C[C@@H](C)[C@@H](O)C2)nc(N)n1 ZINC000308829835 631883732 /nfs/dbraw/zinc/88/37/32/631883732.db2.gz JAVOZBWYFMTMDG-SVRRBLITSA-N 0 3 208.265 0.184 20 0 BCADHN Cc1cc(N[C@H]2CCC[C@@H]2O)nc(N)n1 ZINC000308830838 631886006 /nfs/dbraw/zinc/88/60/06/631886006.db2.gz JJQHVXAXHUMKEZ-YUMQZZPRSA-N 0 3 208.265 0.693 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CC[C@H](O)[C@@H](F)C1 ZINC000934566573 631931257 /nfs/dbraw/zinc/93/12/57/631931257.db2.gz NMAXZVAQKMZRFO-VLEAKVRGSA-N 0 3 217.284 0.816 20 0 BCADHN O=S1(=O)CC[C@@H](NC[C@H]2CCC=CO2)C1 ZINC000050267142 631972665 /nfs/dbraw/zinc/97/26/65/631972665.db2.gz TUAICDIJUSBOBU-NXEZZACHSA-N 0 3 231.317 0.456 20 0 BCADHN Cc1cc(N2CCOC[C@H](C)C2)nc(N)n1 ZINC000309297010 631993215 /nfs/dbraw/zinc/99/32/15/631993215.db2.gz RVOGDKTWDCQGRQ-MRVPVSSYSA-N 0 3 222.292 0.840 20 0 BCADHN C[C@H](NC(=O)CN)c1nc(C(C)(C)C)no1 ZINC000237623175 632015471 /nfs/dbraw/zinc/01/54/71/632015471.db2.gz SLDCCLQQXVRLJO-LURJTMIESA-N 0 3 226.280 0.503 20 0 BCADHN CCCCN(CCC1OCCCO1)CC(N)=O ZINC000091465768 632019559 /nfs/dbraw/zinc/01/95/59/632019559.db2.gz JQTZUVUEKXJXCF-UHFFFAOYSA-N 0 3 244.335 0.727 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCc1ccon1 ZINC000308869568 632025169 /nfs/dbraw/zinc/02/51/69/632025169.db2.gz RWACSHDWBMLIQG-VIFPVBQESA-N 0 3 209.249 0.418 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H]1CO ZINC000889141067 632051423 /nfs/dbraw/zinc/05/14/23/632051423.db2.gz VJOGFQZWMFMNMV-MXWKQRLJSA-N 0 3 226.320 0.452 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@@H](N)CC1CC1 ZINC000308882495 632077709 /nfs/dbraw/zinc/07/77/09/632077709.db2.gz VYASSFVFBZOQAU-WPRPVWTQSA-N 0 3 214.309 0.513 20 0 BCADHN CON(C)C(=O)CN1CCC[C@@H]1CSC ZINC000091594519 632087281 /nfs/dbraw/zinc/08/72/81/632087281.db2.gz NLCUEOCEAWDCDO-SECBINFHSA-N 0 3 232.349 0.834 20 0 BCADHN CON(C)C(=O)CN1CCC[C@H]1CSC ZINC000091594520 632088375 /nfs/dbraw/zinc/08/83/75/632088375.db2.gz NLCUEOCEAWDCDO-VIFPVBQESA-N 0 3 232.349 0.834 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000167159904 632097972 /nfs/dbraw/zinc/09/79/72/632097972.db2.gz FWTXTLCBGGJZEJ-RKDXNWHRSA-N 0 3 214.309 0.607 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)N(C)C)[C@H]1OC ZINC000252771850 635713832 /nfs/dbraw/zinc/71/38/32/635713832.db2.gz IOVQWMPTAZRVRX-UKKRHICBSA-N 0 3 244.335 0.245 20 0 BCADHN CS[C@H]1CC[C@H](NC(=O)C2(N)CC2)C1 ZINC000161652094 632114503 /nfs/dbraw/zinc/11/45/03/632114503.db2.gz SCRRZPXCXDZNMU-YUMQZZPRSA-N 0 3 214.334 0.878 20 0 BCADHN CCCn1cc(NC(=O)C2(N)CC2)cn1 ZINC000237039274 635718652 /nfs/dbraw/zinc/71/86/52/635718652.db2.gz VMIIFJUCSBHETN-UHFFFAOYSA-N 0 3 208.265 0.723 20 0 BCADHN COc1ccc(CN2CC[C@@](C)(C(N)=O)C2)o1 ZINC000894187306 635743786 /nfs/dbraw/zinc/74/37/86/635743786.db2.gz YAEJDYGLBRHQEU-GFCCVEGCSA-N 0 3 238.287 0.986 20 0 BCADHN C[C@@H](N1C(=O)N[C@H](CN(C)C)C1=O)C(C)(C)C ZINC000924970016 635817638 /nfs/dbraw/zinc/81/76/38/635817638.db2.gz OSULCTAGERGYPQ-RKDXNWHRSA-N 0 3 241.335 0.903 20 0 BCADHN C[C@@H]1C[C@H]1CN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924477302 632402400 /nfs/dbraw/zinc/40/24/00/632402400.db2.gz GDTJIXATKWSURA-VGMNWLOBSA-N 0 3 225.292 0.124 20 0 BCADHN C[C@H](N)C(=O)NC[C@H](O)c1c(F)cccc1F ZINC000161759758 632402521 /nfs/dbraw/zinc/40/25/21/632402521.db2.gz FNUZRNDPEHXKDB-RCOVLWMOSA-N 0 3 244.241 0.462 20 0 BCADHN COCC[C@H](N)C(=O)Nc1cccnc1OC ZINC000052792443 632490816 /nfs/dbraw/zinc/49/08/16/632490816.db2.gz DNGRTMRFHFPVBM-QMMMGPOBSA-N 0 3 239.275 0.393 20 0 BCADHN COCC[C@@H](N)C(=O)NCCc1ccsc1 ZINC000052810107 632498037 /nfs/dbraw/zinc/49/80/37/632498037.db2.gz SQDOGAXFCYBNQE-SNVBAGLBSA-N 0 3 242.344 0.771 20 0 BCADHN COCC[C@H](N)C(=O)N1Cc2ccccc2C1 ZINC000052810430 632498047 /nfs/dbraw/zinc/49/80/47/632498047.db2.gz SPRMAQRAHJFXAU-LBPRGKRZSA-N 0 3 234.299 0.893 20 0 BCADHN CCC1CCN(C(=O)[C@H](N)CCOC)CC1 ZINC000052809006 632498282 /nfs/dbraw/zinc/49/82/82/632498282.db2.gz DHDJLKXFZLPLGM-LLVKDONJSA-N 0 3 228.336 0.999 20 0 BCADHN C[C@@H](C1CC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000782193386 632510179 /nfs/dbraw/zinc/51/01/79/632510179.db2.gz YLZYKHHOGCBHJJ-CBAPKCEASA-N 0 3 223.276 0.021 20 0 BCADHN C[C@@H](NCC1(CC(N)=O)CC1)c1cn(C)cn1 ZINC000926600814 632613117 /nfs/dbraw/zinc/61/31/17/632613117.db2.gz NWPLEPDGKXCSFA-SECBINFHSA-N 0 3 236.319 0.726 20 0 BCADHN C[C@@H]1C[C@H](NCC2(N(C)C)CC2)c2ncnn21 ZINC000926601588 632616934 /nfs/dbraw/zinc/61/69/34/632616934.db2.gz RTKXZEPDAJGYBJ-ZJUUUORDSA-N 0 3 235.335 0.968 20 0 BCADHN C[C@@H](O)C[C@H](C)CNCc1cn(C)cn1 ZINC000309052308 632629811 /nfs/dbraw/zinc/62/98/11/632629811.db2.gz ROARAFMRTKWUCI-VHSXEESVSA-N 0 3 211.309 0.917 20 0 BCADHN COCCN1C[C@H](NC(C)=O)C(C)(C)C1 ZINC000972714747 632645577 /nfs/dbraw/zinc/64/55/77/632645577.db2.gz PFWVPKKQVXUHTQ-JTQLQIEISA-N 0 3 214.309 0.479 20 0 BCADHN CCC(=O)N[C@H]1CN(CCCO)CC1(C)C ZINC000972715539 632645616 /nfs/dbraw/zinc/64/56/16/632645616.db2.gz UTRQWDYOXHLDEN-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN Cc1cc(CNC[C@@](C)(O)CO)cnc1Cl ZINC000309847177 632675290 /nfs/dbraw/zinc/67/52/90/632675290.db2.gz HCYOCNSQUHGGDU-LLVKDONJSA-N 0 3 244.722 0.876 20 0 BCADHN CC(C)C(=O)N[C@H]1CN(CCCO)CC1(C)C ZINC000972815748 632681489 /nfs/dbraw/zinc/68/14/89/632681489.db2.gz YKEBKHINEPDKLF-NSHDSACASA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@H](CO)N[C@H](C)C(=O)Nc1nccs1 ZINC000310015719 632694579 /nfs/dbraw/zinc/69/45/79/632694579.db2.gz KVGBNLFSJLCABQ-HTQZYQBOSA-N 0 3 243.332 0.831 20 0 BCADHN CCOC(=O)/C=C\CN1CC[C@](C)(C(N)=O)C1 ZINC000310048235 632696690 /nfs/dbraw/zinc/69/66/90/632696690.db2.gz CLZYDWVVKYQVNU-RXNFCKPNSA-N 0 3 240.303 0.303 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1Cc1cnc(N)cn1 ZINC000310218455 632708168 /nfs/dbraw/zinc/70/81/68/632708168.db2.gz 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ZINC000987666449 636659273 /nfs/dbraw/zinc/65/92/73/636659273.db2.gz IKLYXUVURUGPDW-IUCAKERBSA-N 0 3 218.272 0.181 20 0 BCADHN C[C@H]1C[C@@H](NCCF)CN1C(=O)c1ccon1 ZINC000988229754 636683325 /nfs/dbraw/zinc/68/33/25/636683325.db2.gz RUXZBIHMBFNXDC-DTWKUNHWSA-N 0 3 241.266 0.837 20 0 BCADHN Cc1cc([C@@H](C)NC[C@H]2COCCN2)n(C)n1 ZINC000863545120 636719122 /nfs/dbraw/zinc/71/91/22/636719122.db2.gz IATGEBPQHXSJRY-MNOVXSKESA-N 0 3 238.335 0.368 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1NCCc1cscn1 ZINC000925286903 636726394 /nfs/dbraw/zinc/72/63/94/636726394.db2.gz UFRUNYIJKAGAIZ-VIFPVBQESA-N 0 3 239.344 0.800 20 0 BCADHN CN1CCC[C@@H]1CN1C(=O)N2CC3CC2(C3)C1=O ZINC000925292472 636739936 /nfs/dbraw/zinc/73/99/36/636739936.db2.gz LXXGIEFKQPNHCH-RUETXSTFSA-N 0 3 249.314 0.507 20 0 BCADHN CC[C@@H](CO)NCC(=O)Nc1ccccc1 ZINC000035101917 636740107 /nfs/dbraw/zinc/74/01/07/636740107.db2.gz XNYNZXMGSBPOEZ-JTQLQIEISA-N 0 3 222.288 0.986 20 0 BCADHN CCC[C@H]1NC(=O)N(C[C@H]2CCCN2C)C1=O ZINC000925294739 636752275 /nfs/dbraw/zinc/75/22/75/636752275.db2.gz UZLCSULLXDLHMX-NXEZZACHSA-N 0 3 239.319 0.801 20 0 BCADHN CC[C@@H](C(=O)NCC(=O)OC(C)C)N(C)C ZINC000163470019 636781903 /nfs/dbraw/zinc/78/19/03/636781903.db2.gz MZSLQZKVKXAMRO-VIFPVBQESA-N 0 3 230.308 0.394 20 0 BCADHN C[C@H]1C[C@@H](NCCF)CN1C(=O)c1ncc[nH]1 ZINC000988796639 636787409 /nfs/dbraw/zinc/78/74/09/636787409.db2.gz GBCLNWNHBTXJJB-DTWKUNHWSA-N 0 3 240.282 0.572 20 0 BCADHN CC(C)CN1CCN(C[C@@H](O)[C@@H](C)O)CC1 ZINC000929093024 636791411 /nfs/dbraw/zinc/79/14/11/636791411.db2.gz XNXCRDQURNYCEE-VXGBXAGGSA-N 0 3 230.352 0.002 20 0 BCADHN C[C@@H]1C[C@H](NCCF)CN1C(=O)c1cnco1 ZINC000989247960 636806888 /nfs/dbraw/zinc/80/68/88/636806888.db2.gz QZGQMMSUNFRGBE-BDAKNGLRSA-N 0 3 241.266 0.837 20 0 BCADHN CCCN(CCO)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925313081 636817417 /nfs/dbraw/zinc/81/74/17/636817417.db2.gz LIAACDUZWQGSOF-WDEREUQCSA-N 0 3 243.351 0.493 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2CCCCO2)CCN1 ZINC000148675531 636825974 /nfs/dbraw/zinc/82/59/74/636825974.db2.gz QVYIHPDQLDHKAA-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)[C@H](O)CNC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925322983 636864337 /nfs/dbraw/zinc/86/43/37/636864337.db2.gz HZJSYJUKSRSKGD-OUAUKWLOSA-N 0 3 243.351 0.395 20 0 BCADHN C[C@H]1CCN1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925323018 636865210 /nfs/dbraw/zinc/86/52/10/636865210.db2.gz YLJYRVVSEMMSGO-AEJSXWLSSA-N 0 3 211.309 0.883 20 0 BCADHN CC[C@@](C)(CNCc1cnnn1C)OC ZINC000322660341 636876924 /nfs/dbraw/zinc/87/69/24/636876924.db2.gz CKOBGOHCFONDPJ-JTQLQIEISA-N 0 3 212.297 0.720 20 0 BCADHN CC[C@](C)(CNCc1cnnn1C)OC ZINC000322660343 636877153 /nfs/dbraw/zinc/87/71/53/636877153.db2.gz CKOBGOHCFONDPJ-SNVBAGLBSA-N 0 3 212.297 0.720 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)NC[C@H](O)C2CC2)CCN1C ZINC000925325520 636886764 /nfs/dbraw/zinc/88/67/64/636886764.db2.gz YEJVLQQLWCBKGW-MIMYLULJSA-N 0 3 241.335 0.149 20 0 BCADHN O=C(N[C@@]12CCC[C@@H]1N(CCO)CC2)C(F)F ZINC000989880390 636891732 /nfs/dbraw/zinc/89/17/32/636891732.db2.gz NYKPNLDQOKCLRD-GZMMTYOYSA-N 0 3 248.273 0.357 20 0 BCADHN C[C@H]1[C@@H](NC(=O)NCC2(CO)CC2)CCN1C ZINC000925326314 636898481 /nfs/dbraw/zinc/89/84/81/636898481.db2.gz LEKBNLXIFKLRKS-UWVGGRQHSA-N 0 3 241.335 0.151 20 0 BCADHN C[C@@H]1COC[C@@H]1NCC(=O)NCc1ccco1 ZINC000924621511 636936349 /nfs/dbraw/zinc/93/63/49/636936349.db2.gz XQFVDRJTDLKPSY-KOLCDFICSA-N 0 3 238.287 0.520 20 0 BCADHN CC(C)CCCNS(=O)(=O)N1CCNCC1 ZINC000040862262 636946272 /nfs/dbraw/zinc/94/62/72/636946272.db2.gz JGQVNSBQHBBLMF-UHFFFAOYSA-N 0 3 249.380 0.162 20 0 BCADHN CC(=O)COC(=O)COC1CCN(C)CC1 ZINC000923796008 637003308 /nfs/dbraw/zinc/00/33/08/637003308.db2.gz WEKZCGDRWQEQMH-UHFFFAOYSA-N 0 3 229.276 0.229 20 0 BCADHN CN1CCCN(C(=O)NCC2CSC2)CC1 ZINC000923811081 637037258 /nfs/dbraw/zinc/03/72/58/637037258.db2.gz FPZAIDIZPDDBOS-UHFFFAOYSA-N 0 3 243.376 0.697 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2CCCN(C)C2)c2ncnn21 ZINC000924743145 637062300 /nfs/dbraw/zinc/06/23/00/637062300.db2.gz OXDHJMWOYWPOAA-VWYCJHECSA-N 0 3 235.335 0.968 20 0 BCADHN CCN(CCO)CCNC(=O)NC/C=C\Cl ZINC000899047185 637074462 /nfs/dbraw/zinc/07/44/62/637074462.db2.gz MFQPHCVSIKWWOK-ARJAWSKDSA-N 0 3 249.742 0.352 20 0 BCADHN Cc1cc(N2C(=O)N[C@H](CN(C)C)C2=O)ccn1 ZINC000927220814 637133071 /nfs/dbraw/zinc/13/30/71/637133071.db2.gz XGNGXYSPCAKPIS-SNVBAGLBSA-N 0 3 248.286 0.376 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000901026694 637228136 /nfs/dbraw/zinc/22/81/36/637228136.db2.gz ODTAVZKFOBXFPL-DXCBCRKQSA-N 0 3 238.331 0.522 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000901026697 637228840 /nfs/dbraw/zinc/22/88/40/637228840.db2.gz ODTAVZKFOBXFPL-URNGMLMDSA-N 0 3 238.331 0.522 20 0 BCADHN C[C@H](CC(N)=O)NCc1cc(N(C)C)ccn1 ZINC000903203760 637354303 /nfs/dbraw/zinc/35/43/03/637354303.db2.gz WVCFPZCYHXYVED-SECBINFHSA-N 0 3 236.319 0.501 20 0 BCADHN CC(C)(CNS(=O)(=O)C1CNC1)C1CC1 ZINC000903530451 637368757 /nfs/dbraw/zinc/36/87/57/637368757.db2.gz DLVBFQUNYATUAX-UHFFFAOYSA-N 0 3 232.349 0.314 20 0 BCADHN Nc1cnc(CN[C@@H]2COC[C@@H]2C2CC2)cn1 ZINC000904475607 637424999 /nfs/dbraw/zinc/42/49/99/637424999.db2.gz MAVPZJNAJJFRHJ-GHMZBOCLSA-N 0 3 234.303 0.573 20 0 BCADHN Nc1cnc(CN[C@H]2COC[C@@H]2C2CC2)cn1 ZINC000904475765 637425646 /nfs/dbraw/zinc/42/56/46/637425646.db2.gz MAVPZJNAJJFRHJ-MNOVXSKESA-N 0 3 234.303 0.573 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000904916672 637522347 /nfs/dbraw/zinc/52/23/47/637522347.db2.gz DVXOLPXJNZRESM-PRHODGIISA-N 0 3 243.351 0.520 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000904916671 637522770 /nfs/dbraw/zinc/52/27/70/637522770.db2.gz DVXOLPXJNZRESM-PELKAZGASA-N 0 3 243.351 0.520 20 0 BCADHN CCC[C@](C)(N)C(=O)NC(CC)(CC)C(N)=O ZINC000904919329 637524037 /nfs/dbraw/zinc/52/40/37/637524037.db2.gz RAZCTCJUZUNUOG-NSHDSACASA-N 0 3 243.351 0.664 20 0 BCADHN CCN(CC)CCNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000905018988 637552266 /nfs/dbraw/zinc/55/22/66/637552266.db2.gz QWSIGLQYBATYEO-YUSALJHKSA-N 0 3 238.331 0.670 20 0 BCADHN CCOC(=O)Cn1cc(CNC(C)(C)C)nn1 ZINC000905058778 637590867 /nfs/dbraw/zinc/59/08/67/637590867.db2.gz NHNMEJXFJKRVAL-UHFFFAOYSA-N 0 3 240.307 0.729 20 0 BCADHN Cc1occc1CNC[C@H](O)C1(O)CCC1 ZINC000905063628 637598182 /nfs/dbraw/zinc/59/81/82/637598182.db2.gz ZFYULXLQLVVUJD-NSHDSACASA-N 0 3 225.288 0.954 20 0 BCADHN CCc1cc(CNC[C@@H](O)C2(O)CCC2)n[nH]1 ZINC000905109233 637615822 /nfs/dbraw/zinc/61/58/22/637615822.db2.gz JTKTVBQMMBHFCC-LLVKDONJSA-N 0 3 239.319 0.338 20 0 BCADHN CCc1cc(CNC[C@@H](O)C2(O)CCC2)[nH]n1 ZINC000905109233 637615828 /nfs/dbraw/zinc/61/58/28/637615828.db2.gz JTKTVBQMMBHFCC-LLVKDONJSA-N 0 3 239.319 0.338 20 0 BCADHN Oc1cccc(CNC[C@H](O)C2(O)CCC2)c1 ZINC000905114827 637620922 /nfs/dbraw/zinc/62/09/22/637620922.db2.gz RJMJKZSSOQMXAR-LBPRGKRZSA-N 0 3 237.299 0.758 20 0 BCADHN Cc1cc(CNC[C@H](O)C2(O)CCCC2)n[nH]1 ZINC000905119377 637624756 /nfs/dbraw/zinc/62/47/56/637624756.db2.gz YSSDVKATZZSTOW-NSHDSACASA-N 0 3 239.319 0.474 20 0 BCADHN Cc1cc(CNC[C@H](O)C2(O)CCCC2)[nH]n1 ZINC000905119377 637624758 /nfs/dbraw/zinc/62/47/58/637624758.db2.gz YSSDVKATZZSTOW-NSHDSACASA-N 0 3 239.319 0.474 20 0 BCADHN C[C@H](CNC[C@](C)(O)C(F)F)S(C)(=O)=O ZINC000905188712 637668930 /nfs/dbraw/zinc/66/89/30/637668930.db2.gz QRNKLHYXWQCGRN-SVRRBLITSA-N 0 3 245.291 0.025 20 0 BCADHN C[C@@H]1[C@H](NC(=O)NC[C@H]2CCCO2)CCN1C ZINC000905147706 637656002 /nfs/dbraw/zinc/65/60/02/637656002.db2.gz HNEFRIFCUPZVBC-GMTAPVOTSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)NCc2cccnc2)CCN1C ZINC000905147228 637656214 /nfs/dbraw/zinc/65/62/14/637656214.db2.gz DRYPQURVIQSFLU-PWSUYJOCSA-N 0 3 248.330 0.973 20 0 BCADHN C[C@@H]1[C@H](NC(=O)NCc2ccccn2)CCN1C ZINC000905147125 637656265 /nfs/dbraw/zinc/65/62/65/637656265.db2.gz DCOKSCDHKIAQII-ZYHUDNBSSA-N 0 3 248.330 0.973 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCCO2)CCN1C ZINC000905147713 637657552 /nfs/dbraw/zinc/65/75/52/637657552.db2.gz HNEFRIFCUPZVBC-VWYCJHECSA-N 0 3 241.335 0.557 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC[C@@](C)(O)C(F)F ZINC000905228618 637688589 /nfs/dbraw/zinc/68/85/89/637688589.db2.gz FLZAUGVILAOLRB-GMSGAONNSA-N 0 3 238.278 0.459 20 0 BCADHN CN(C)C(C)(C)CNC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000905221316 637701110 /nfs/dbraw/zinc/70/11/10/637701110.db2.gz FDQZMRQOIKYIOB-INTQDDNPSA-N 0 3 238.331 0.668 20 0 BCADHN CO[C@@H](C)C(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC001074550606 711443275 /nfs/dbraw/zinc/44/32/75/711443275.db2.gz COSDJOOOZDYOKO-GUBZILKMSA-N 0 3 232.299 0.570 20 0 BCADHN CCn1cc(CNC[C@H](O)C2(O)CCC2)cn1 ZINC000905256778 637714578 /nfs/dbraw/zinc/71/45/78/637714578.db2.gz PFNXXFXEQUVKNY-NSHDSACASA-N 0 3 239.319 0.269 20 0 BCADHN Cc1ccncc1CNC[C@@H](O)C1(O)CCC1 ZINC000905278503 637735223 /nfs/dbraw/zinc/73/52/23/637735223.db2.gz HSQPYEKZZDWUKE-GFCCVEGCSA-N 0 3 236.315 0.756 20 0 BCADHN CC[C@](O)(CNC[C@H](O)[C@@H](C)O)C(F)(F)F ZINC000905404431 637796866 /nfs/dbraw/zinc/79/68/66/637796866.db2.gz NYZXBXZWTYPXFK-CSMHCCOUSA-N 0 3 245.241 0.021 20 0 BCADHN O[C@H](CNCc1ccnc(F)c1)C1(O)CCC1 ZINC000905406745 637799355 /nfs/dbraw/zinc/79/93/55/637799355.db2.gz ZDEBIPNNSBVENK-SNVBAGLBSA-N 0 3 240.278 0.586 20 0 BCADHN CN(C)c1ccnc(CNCCC(N)=O)c1 ZINC000905526230 637846037 /nfs/dbraw/zinc/84/60/37/637846037.db2.gz VBOYHYQPKWFZJY-UHFFFAOYSA-N 0 3 222.292 0.113 20 0 BCADHN CC(C)OC[C@H](O)CNCc1cncc(O)c1 ZINC000905622387 637859729 /nfs/dbraw/zinc/85/97/29/637859729.db2.gz CHJLJTCOQUKAFE-GFCCVEGCSA-N 0 3 240.303 0.663 20 0 BCADHN CSC[C@@H](O)CNCc1cnn(CCF)c1 ZINC000905657910 637872768 /nfs/dbraw/zinc/87/27/68/637872768.db2.gz ZJWGTAFNFBQMLY-JTQLQIEISA-N 0 3 247.339 0.666 20 0 BCADHN O[C@@H](CNC/C=C/Cl)CC1(O)CCOCC1 ZINC000905706778 637890633 /nfs/dbraw/zinc/89/06/33/637890633.db2.gz IVYYKZGLCFXUPL-YEQXMLPJSA-N 0 3 249.738 0.621 20 0 BCADHN Cc1nc([C@H](C)n2cc(CNC(C)C)nn2)n[nH]1 ZINC000905813721 637941844 /nfs/dbraw/zinc/94/18/44/637941844.db2.gz VZLXAWDNDXDYSO-QMMMGPOBSA-N 0 3 249.322 0.812 20 0 BCADHN CCN1CCN(C[C@@H](O)C2(O)CCCC2)CC1 ZINC000905870160 637955188 /nfs/dbraw/zinc/95/51/88/637955188.db2.gz LHETWOVYGWQYHK-GFCCVEGCSA-N 0 3 242.363 0.290 20 0 BCADHN O[C@@H](CN1CCSCC1)C1(O)CCCC1 ZINC000905906978 637970188 /nfs/dbraw/zinc/97/01/88/637970188.db2.gz CVCBUUPWSACCCL-JTQLQIEISA-N 0 3 231.361 0.701 20 0 BCADHN COCC1CN(C[C@H](O)CC2(O)CCC2)C1 ZINC000905973739 637989633 /nfs/dbraw/zinc/98/96/33/637989633.db2.gz XEQVECLEYPTMKX-LLVKDONJSA-N 0 3 229.320 0.231 20 0 BCADHN COCC1(C)CN(C[C@@H](O)C2(O)CCCC2)C1 ZINC000905954131 638000869 /nfs/dbraw/zinc/00/08/69/638000869.db2.gz SOAGACPQCFXLKY-LLVKDONJSA-N 0 3 243.347 0.621 20 0 BCADHN CCC1(C)CN(C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905954704 638004398 /nfs/dbraw/zinc/00/43/98/638004398.db2.gz DPYBJPIMGJAMBQ-AAEUAGOBSA-N 0 3 243.347 0.621 20 0 BCADHN C[C@H](CNc1ccccc1)NC(=O)CN ZINC000906086247 638045865 /nfs/dbraw/zinc/04/58/65/638045865.db2.gz FLERKJCSGGRXSP-SECBINFHSA-N 0 3 207.277 0.562 20 0 BCADHN Cn1ncn(CC[C@@H]2CCCCN2C)c1=O ZINC000906502973 638196123 /nfs/dbraw/zinc/19/61/23/638196123.db2.gz MEMVFPGPTKRIKT-JTQLQIEISA-N 0 3 224.308 0.456 20 0 BCADHN CCCCN1CN(CCN(C)C)C(=O)[C@H]1C ZINC000906533965 638202445 /nfs/dbraw/zinc/20/24/45/638202445.db2.gz LFJNMXJONGYBFH-LLVKDONJSA-N 0 3 227.352 0.838 20 0 BCADHN CCn1nncc1CN[C@H]1CCN(C)C1 ZINC000906537941 638205710 /nfs/dbraw/zinc/20/57/10/638205710.db2.gz QSBZEZRWRBDTDO-VIFPVBQESA-N 0 3 209.297 0.092 20 0 BCADHN C[C@H](C(=O)N(C)CCN(C)C)[C@H]1CCCO1 ZINC000906881678 638260380 /nfs/dbraw/zinc/26/03/80/638260380.db2.gz DNNJSAPAALAAOU-WDEREUQCSA-N 0 3 228.336 0.822 20 0 BCADHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N(C)CCN(C)C ZINC000906883967 638269667 /nfs/dbraw/zinc/26/96/67/638269667.db2.gz ZTBBMGGFBKOCFK-OUAUKWLOSA-N 0 3 228.336 0.677 20 0 BCADHN CCc1nc[nH]c1C(=O)N1CCNC(C)(C)C1 ZINC000906893786 638272658 /nfs/dbraw/zinc/27/26/58/638272658.db2.gz BYFSIWKTICJUDG-UHFFFAOYSA-N 0 3 236.319 0.796 20 0 BCADHN CC[C@H](C(=O)N1C[C@H](O)[C@@H](CC)C1)N(C)C ZINC000907156467 638314656 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3 222.354 0.643 20 0 BCADHN Cc1cc(NC[C@H]2CCCNC2=O)nc(N)n1 ZINC000840349083 644992972 /nfs/dbraw/zinc/99/29/72/644992972.db2.gz DHPMQZMPWAWMKE-MRVPVSSYSA-N 0 3 235.291 0.305 20 0 BCADHN CC[C@H](O)CNC[C@@H](OC)C(F)(F)F ZINC000819067858 645003972 /nfs/dbraw/zinc/00/39/72/645003972.db2.gz JRAVYGRIYBAKEV-NKWVEPMBSA-N 0 3 215.215 0.924 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1ccc(C=O)cn1 ZINC000822286436 645040419 /nfs/dbraw/zinc/04/04/19/645040419.db2.gz FUAZATPAYCIREB-UHFFFAOYSA-N 0 3 249.314 0.964 20 0 BCADHN CCn1nc(C)c(CN[C@H]2CN(C)C[C@@H]2C)n1 ZINC000823989748 645053067 /nfs/dbraw/zinc/05/30/67/645053067.db2.gz CIAOYQXBKNAZCR-CABZTGNLSA-N 0 3 237.351 0.646 20 0 BCADHN CCC(=O)CCN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000830292561 645118702 /nfs/dbraw/zinc/11/87/02/645118702.db2.gz OQQYIMXQSUEZQQ-STQMWFEESA-N 0 3 240.347 0.761 20 0 BCADHN CC1(C)CN(C(=O)c2ccc(N)cc2O)CCN1 ZINC000841857298 645230524 /nfs/dbraw/zinc/23/05/24/645230524.db2.gz SWYIAXWFRZBBCH-UHFFFAOYSA-N 0 3 249.314 0.798 20 0 BCADHN CC(C)CONC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000841862743 645232121 /nfs/dbraw/zinc/23/21/21/645232121.db2.gz BCSDUCGJKHPGAK-UWVGGRQHSA-N 0 3 229.324 0.966 20 0 BCADHN C[C@@H](O)[C@@H](CO)NC[C@@H](O)c1ccccc1F ZINC000843061788 645259143 /nfs/dbraw/zinc/25/91/43/645259143.db2.gz HXZTXPCAUMHNSG-GGZOMVNGSA-N 0 3 243.278 0.190 20 0 BCADHN Cc1cnc(CCN[C@H]2C(=O)NCC2(C)C)cn1 ZINC000926559363 645282138 /nfs/dbraw/zinc/28/21/38/645282138.db2.gz MYNPVRNJXGDZAX-NSHDSACASA-N 0 3 248.330 0.442 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@H](C)c1cc[nH]c(=O)c1 ZINC000926575556 645295920 /nfs/dbraw/zinc/29/59/20/645295920.db2.gz KAANYTRSRZRLSG-DVVUODLYSA-N 0 3 238.287 0.852 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@H]1C[C@@](C)(O)C1 ZINC000926599312 645307815 /nfs/dbraw/zinc/30/78/15/645307815.db2.gz DWRDDKSMOYUTLJ-LPEHRKFASA-N 0 3 215.293 0.641 20 0 BCADHN CCN(CCOC)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844278329 645319765 /nfs/dbraw/zinc/31/97/65/645319765.db2.gz BNDDFLUHKCSDRT-NSHDSACASA-N 0 3 242.319 0.938 20 0 BCADHN CO[C@](C)(CO)CN[C@H](C)c1ccnnc1 ZINC000926662950 645336715 /nfs/dbraw/zinc/33/67/15/645336715.db2.gz OZCWZJOWQQRHBN-KOLCDFICSA-N 0 3 225.292 0.525 20 0 BCADHN COC1(OC)CC[C@H]1N[C@H](CO)CCF ZINC000926655384 645339678 /nfs/dbraw/zinc/33/96/78/645339678.db2.gz MYLIQGGJCGHKST-DTWKUNHWSA-N 0 3 221.272 0.448 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@H](CO)CCF ZINC000926655385 645340732 /nfs/dbraw/zinc/34/07/32/645340732.db2.gz MYLIQGGJCGHKST-IUCAKERBSA-N 0 3 221.272 0.448 20 0 BCADHN CON(C)CCN[C@@H](C)c1ccnnc1 ZINC000926678593 645350306 /nfs/dbraw/zinc/35/03/06/645350306.db2.gz OPLTXZZEENMDIV-VIFPVBQESA-N 0 3 210.281 0.620 20 0 BCADHN COC/C(C)=C/C(=O)N1CCCN(C)CC1 ZINC000845076748 645355527 /nfs/dbraw/zinc/35/55/27/645355527.db2.gz OPHNDJJDZSLGQM-PKNBQFBNSA-N 0 3 226.320 0.743 20 0 BCADHN COC/C(C)=C/C(=O)N[C@H]1CCCN(C)C1 ZINC000845445379 645361355 /nfs/dbraw/zinc/36/13/55/645361355.db2.gz OHHIHTSUWWNAMF-HUYFXPKMSA-N 0 3 226.320 0.790 20 0 BCADHN COCc1n[nH]c(CNC2CC(SC)C2)n1 ZINC000926695446 645363237 /nfs/dbraw/zinc/36/32/37/645363237.db2.gz WCTMJXQWVHUSDZ-UHFFFAOYSA-N 0 3 242.348 0.935 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1NCCc1ccoc1 ZINC000926700802 645366593 /nfs/dbraw/zinc/36/65/93/645366593.db2.gz IHRPDCHBKAVEBJ-JTQLQIEISA-N 0 3 222.288 0.936 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1N[C@H]1C[C@H](O)C12CCC2 ZINC000926713419 645376838 /nfs/dbraw/zinc/37/68/38/645376838.db2.gz KBGNHVCFWYPRNU-GUBZILKMSA-N 0 3 238.331 0.404 20 0 BCADHN CCOC[C@@H](C)NCC(=O)N(C)OCC ZINC000846066345 645392180 /nfs/dbraw/zinc/39/21/80/645392180.db2.gz WVLLAEVMZKQCPJ-SECBINFHSA-N 0 3 218.297 0.411 20 0 BCADHN C[C@H]1C[C@@H](NC[C@H]2CCCN2C)c2ncnn21 ZINC000926751504 645403653 /nfs/dbraw/zinc/40/36/53/645403653.db2.gz BABRBNYKGCMHRS-HBNTYKKESA-N 0 3 235.335 0.968 20 0 BCADHN CON1CCN(C[C@@H]2CCCOC2)CC1 ZINC000846979358 645410850 /nfs/dbraw/zinc/41/08/50/645410850.db2.gz GSLRYGGWZGTZIR-NSHDSACASA-N 0 3 214.309 0.592 20 0 BCADHN C[C@@H](NCCN1CC[C@@H](O)C1)c1cn(C)cn1 ZINC000926766825 645412419 /nfs/dbraw/zinc/41/24/19/645412419.db2.gz HMNLFVFVQHBWLW-GHMZBOCLSA-N 0 3 238.335 0.137 20 0 BCADHN CO[C@H]1C[C@H](N[C@H](C)c2cnnn2C)C1 ZINC000926771938 645415658 /nfs/dbraw/zinc/41/56/58/645415658.db2.gz IROSGOXLMFGZRF-IWSPIJDZSA-N 0 3 210.281 0.643 20 0 BCADHN CO[C@H]1C[C@H](N[C@@H](C)c2cnnn2C)C1 ZINC000926771937 645417572 /nfs/dbraw/zinc/41/75/72/645417572.db2.gz IROSGOXLMFGZRF-CIUDSAMLSA-N 0 3 210.281 0.643 20 0 BCADHN C[C@H](NCCN1CC[C@H](O)C1)c1ccns1 ZINC000926774387 645419676 /nfs/dbraw/zinc/41/96/76/645419676.db2.gz NDSDCGDBAFESAF-UWVGGRQHSA-N 0 3 241.360 0.860 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1CO[C@H](C)[C@@H]1C ZINC000926772989 645419976 /nfs/dbraw/zinc/41/99/76/645419976.db2.gz XURCCJOFHQHXOT-SGIHWFKDSA-N 0 3 230.308 0.408 20 0 BCADHN C[C@@H]1OC[C@@H](NC2CN(c3ccncn3)C2)[C@@H]1C ZINC000926793926 645435692 /nfs/dbraw/zinc/43/56/92/645435692.db2.gz VGAGMAXKXAQCRC-JFGNBEQYSA-N 0 3 248.330 0.678 20 0 BCADHN O=C1CC[C@@H](CN2[C@@H]3CC[C@H]2CNC(=O)C3)O1 ZINC000851796342 645468555 /nfs/dbraw/zinc/46/85/55/645468555.db2.gz BJTBQWKZHHFIPD-UTLUCORTSA-N 0 3 238.287 0.045 20 0 BCADHN O=C1OCCN1[C@H]1CCN(C[C@H]2CCCO2)C1 ZINC000852431096 645478764 /nfs/dbraw/zinc/47/87/64/645478764.db2.gz PLJKEXCQCYOKFQ-WDEREUQCSA-N 0 3 240.303 0.692 20 0 BCADHN COC[C@@H](C)N1CC[C@H](N2CCOC2=O)C1 ZINC000852431391 645478786 /nfs/dbraw/zinc/47/87/86/645478786.db2.gz BGUKYQKWOXMPJJ-ZJUUUORDSA-N 0 3 228.292 0.548 20 0 BCADHN COC[C@@H](C)N1CC[C@@H](N2CCOC2=O)C1 ZINC000852431388 645478946 /nfs/dbraw/zinc/47/89/46/645478946.db2.gz BGUKYQKWOXMPJJ-NXEZZACHSA-N 0 3 228.292 0.548 20 0 BCADHN C[C@H](NC[C@@H]1CCN1C)c1cnnn1C ZINC000926895392 645479351 /nfs/dbraw/zinc/47/93/51/645479351.db2.gz WBCPWYIIZKBLIY-IUCAKERBSA-N 0 3 209.297 0.170 20 0 BCADHN C[C@@H](NC[C@@H]1CCN1C)c1cnnn1C ZINC000926895390 645481284 /nfs/dbraw/zinc/48/12/84/645481284.db2.gz WBCPWYIIZKBLIY-BDAKNGLRSA-N 0 3 209.297 0.170 20 0 BCADHN C[S@@](=O)CCN1C[C@]2(C)COC[C@]2(C)C1 ZINC000852459969 645484165 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/nfs/dbraw/zinc/64/32/61/646643261.db2.gz IADRQLBEVOYBQT-ZJUUUORDSA-N 0 3 242.323 0.517 20 0 BCADHN COCC[C@H](COC)N[C@H](C)c1cnnn1C ZINC000926452866 646643535 /nfs/dbraw/zinc/64/35/35/646643535.db2.gz IADRQLBEVOYBQT-NXEZZACHSA-N 0 3 242.323 0.517 20 0 BCADHN Cc1nccnc1CCN[C@@H]1C(=O)NCC1(C)C ZINC000926489590 646658929 /nfs/dbraw/zinc/65/89/29/646658929.db2.gz IRSJIXXABFZAGK-LLVKDONJSA-N 0 3 248.330 0.442 20 0 BCADHN CCN(CC(=O)NCCC#N)C[C@H]1CCOC1 ZINC000052072324 711602840 /nfs/dbraw/zinc/60/28/40/711602840.db2.gz MTFWQUVJWOFWNJ-LLVKDONJSA-N 0 3 239.319 0.375 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NC1CCOCC1 ZINC000308962416 711656192 /nfs/dbraw/zinc/65/61/92/711656192.db2.gz KLJGKBYEHXITMV-JTQLQIEISA-N 0 3 212.293 0.409 20 0 BCADHN COC(=O)N[C@H]1CCN(CCC[C@H](C)O)C1 ZINC000393761954 711677250 /nfs/dbraw/zinc/67/72/50/711677250.db2.gz MHPRCGRIVFPTGC-UWVGGRQHSA-N 0 3 230.308 0.578 20 0 BCADHN OCc1cnccc1NCCOC1CCC1 ZINC000892711587 711685943 /nfs/dbraw/zinc/68/59/43/711685943.db2.gz JVBLPHKRRDKNPD-UHFFFAOYSA-N 0 3 222.288 0.977 20 0 BCADHN O=C(NC[C@@H]1CCCN1CCO)[C@@H]1CC1(F)F ZINC001027873184 711739886 /nfs/dbraw/zinc/73/98/86/711739886.db2.gz YYLBIQYASUAZJU-IUCAKERBSA-N 0 3 248.273 0.215 20 0 BCADHN CCn1nccc1CNC[C@@H]1COCO1 ZINC000894876027 711774155 /nfs/dbraw/zinc/77/41/55/711774155.db2.gz KFNDYTZSXXJIPF-SNVBAGLBSA-N 0 3 211.265 0.366 20 0 BCADHN CC(C)(O)[C@H]1CCN(CC(=O)NCC2CC2)C1 ZINC000721829715 711777945 /nfs/dbraw/zinc/77/79/45/711777945.db2.gz AFRKSVHNJMHEKI-NSHDSACASA-N 0 3 240.347 0.605 20 0 BCADHN CC(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O ZINC001076657062 711807028 /nfs/dbraw/zinc/80/70/28/711807028.db2.gz UWZPXKQNVICCFS-CHWSQXEVSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1cc(N2CCC[C@](C)(O)C2)nc(N)n1 ZINC000160849293 711809893 /nfs/dbraw/zinc/80/98/93/711809893.db2.gz GJRODSIQSRDRTA-NSHDSACASA-N 0 3 222.292 0.718 20 0 BCADHN CCc1nn(C)cc1CNCCC[S@@](C)=O ZINC000161395899 711811694 /nfs/dbraw/zinc/81/16/94/711811694.db2.gz WAPPNKNHVQFQFK-INIZCTEOSA-N 0 3 243.376 0.841 20 0 BCADHN COC(=O)/C(C)=C\CN1CC[C@H]([C@@H](C)O)C1 ZINC000228127027 711833684 /nfs/dbraw/zinc/83/36/84/711833684.db2.gz SQFOHTBLXBECJQ-BMMYIHMSSA-N 0 3 227.304 0.808 20 0 BCADHN COCc1cc(C(=O)NOCCN(C)C)no1 ZINC000383282403 711913032 /nfs/dbraw/zinc/91/30/32/711913032.db2.gz IQWCBYOGMDSOTG-UHFFFAOYSA-N 0 3 243.263 0.044 20 0 BCADHN COC[C@H](C)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001032829217 711953284 /nfs/dbraw/zinc/95/32/84/711953284.db2.gz SEYDIMHDQCDYCL-NOOOWODRSA-N 0 3 240.347 0.868 20 0 BCADHN CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001038091621 711959778 /nfs/dbraw/zinc/95/97/78/711959778.db2.gz GKVACTTZTBIZGS-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CN(C(=O)C1CC1)[C@H]1CCN(CCCO)C1 ZINC001032849221 711963159 /nfs/dbraw/zinc/96/31/59/711963159.db2.gz ROZZEENAFFJNQS-NSHDSACASA-N 0 3 226.320 0.312 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2ccon2)C1 ZINC001032936306 711968813 /nfs/dbraw/zinc/96/88/13/711968813.db2.gz WVYPAEQCNANGKX-SECBINFHSA-N 0 3 223.276 0.841 20 0 BCADHN CC(C)N1CC[C@@H](N(C)C(=O)c2cnon2)C1 ZINC001033526217 711999649 /nfs/dbraw/zinc/99/96/49/711999649.db2.gz KMKIIRDBBHDCCT-SECBINFHSA-N 0 3 238.291 0.624 20 0 BCADHN CCN(C(=O)[C@@H]1C[C@H]1C)[C@@H]1CCN(CCO)C1 ZINC001033922729 712028133 /nfs/dbraw/zinc/02/81/33/712028133.db2.gz MPTOSNWFUBGQEW-IJLUTSLNSA-N 0 3 240.347 0.558 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCCC(C)(C)C1 ZINC000702329472 712046854 /nfs/dbraw/zinc/04/68/54/712046854.db2.gz LYQQWGNZGFOZDY-JTQLQIEISA-N 0 3 227.352 0.524 20 0 BCADHN C[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CN(C)C)CC1 ZINC000702342996 712045969 /nfs/dbraw/zinc/04/59/69/712045969.db2.gz SLTRVZWMPNONMK-WOPDTQHZSA-N 0 3 241.379 0.960 20 0 BCADHN CC[C@@H](C)N(CC)C(=O)[C@@H](N)CN(C)C ZINC000702400018 712050486 /nfs/dbraw/zinc/05/04/86/712050486.db2.gz FKHLFZIBGOVWFW-ZJUUUORDSA-N 0 3 215.341 0.522 20 0 BCADHN Cc1c(F)cccc1NC(=O)[C@@H](N)CN(C)C ZINC000702374620 712049033 /nfs/dbraw/zinc/04/90/33/712049033.db2.gz BQZLLXRWVYKMAA-JTQLQIEISA-N 0 3 239.294 0.962 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCc1ccc(F)cc1 ZINC000702374655 712049095 /nfs/dbraw/zinc/04/90/95/712049095.db2.gz CSCRETANFCWOAB-NSHDSACASA-N 0 3 239.294 0.331 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)CN(C)C)c1cccnc1 ZINC000702401311 712050858 /nfs/dbraw/zinc/05/08/58/712050858.db2.gz LGHZXPPAISNUJW-ONGXEEELSA-N 0 3 236.319 0.148 20 0 BCADHN CC1(C)C[C@]1(C)CNS(=O)(=O)C1CNC1 ZINC000702410817 712051502 /nfs/dbraw/zinc/05/15/02/712051502.db2.gz UFEBSPMWNSAWMM-SNVBAGLBSA-N 0 3 232.349 0.314 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@]1(C)CC1(C)C ZINC000702412261 712051735 /nfs/dbraw/zinc/05/17/35/712051735.db2.gz YDAUROXQLPCALH-XVKPBYJWSA-N 0 3 200.282 0.265 20 0 BCADHN COCC[C@@H](N)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000706197851 712141959 /nfs/dbraw/zinc/14/19/59/712141959.db2.gz FKLCHAGXPPOFTP-KXUCPTDWSA-N 0 3 214.309 0.750 20 0 BCADHN COCC[C@H](N)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000706197846 712141966 /nfs/dbraw/zinc/14/19/66/712141966.db2.gz FKLCHAGXPPOFTP-AEJSXWLSSA-N 0 3 214.309 0.750 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H]1CCCC12CC2 ZINC000706559797 712149744 /nfs/dbraw/zinc/14/97/44/712149744.db2.gz VNULMQRXKNSOAJ-IUCAKERBSA-N 0 3 212.293 0.409 20 0 BCADHN CCN(C(=O)[C@@H](N)CN(C)C)C1CCC1 ZINC000706850042 712156946 /nfs/dbraw/zinc/15/69/46/712156946.db2.gz SMMOZZMUPXNTBJ-JTQLQIEISA-N 0 3 213.325 0.276 20 0 BCADHN O=S(=O)(NCC[C@H]1CC=CCC1)C1CNC1 ZINC000706867001 712157162 /nfs/dbraw/zinc/15/71/62/712157162.db2.gz GQQZMVDGGRPPQZ-JTQLQIEISA-N 0 3 244.360 0.624 20 0 BCADHN Cn1nncc1CNC[C@@H]1CC(C)(C)CO1 ZINC000708383039 712192170 /nfs/dbraw/zinc/19/21/70/712192170.db2.gz SEVSVYFALMSVRA-JTQLQIEISA-N 0 3 224.308 0.720 20 0 BCADHN COCC(=O)N1CC[C@@H]2[C@H](CCN2CCF)C1 ZINC001036606191 712199582 /nfs/dbraw/zinc/19/95/82/712199582.db2.gz FIRZEOMCDMECCR-GHMZBOCLSA-N 0 3 244.310 0.525 20 0 BCADHN C[C@]1(C(F)(F)F)CCN(C[C@@H](O)CO)C1 ZINC000708976061 712204146 /nfs/dbraw/zinc/20/41/46/712204146.db2.gz RLQFIXUDRQDJCQ-SFYZADRCSA-N 0 3 227.226 0.614 20 0 BCADHN Cc1nc(CN[C@@H]2CCN(C)C2)[nH]c1C ZINC000709057283 712206728 /nfs/dbraw/zinc/20/67/28/712206728.db2.gz UHUMIGOWBZXTAL-SNVBAGLBSA-N 0 3 208.309 0.820 20 0 BCADHN CN(Cc1cccc(N)c1)[C@@H]1COC[C@H]1O ZINC000709116024 712209256 /nfs/dbraw/zinc/20/92/56/712209256.db2.gz DLXDSSRPFUKDLZ-VXGBXAGGSA-N 0 3 222.288 0.460 20 0 BCADHN COC1(OC)CC[C@@H]1NCCC(=O)N(C)C ZINC000710957122 712267923 /nfs/dbraw/zinc/26/79/23/712267923.db2.gz HNSCRPKTEKEALZ-VIFPVBQESA-N 0 3 230.308 0.206 20 0 BCADHN COC1(OC)CC[C@H]1N[C@@H]1CCC(=O)N(C)C1 ZINC000710966230 712269735 /nfs/dbraw/zinc/26/97/35/712269735.db2.gz ZKWBTEVICUBKII-NXEZZACHSA-N 0 3 242.319 0.348 20 0 BCADHN COCCN1C[C@@H](C)[C@H](NC(=O)C2CC2)C1 ZINC001079335112 712346958 /nfs/dbraw/zinc/34/69/58/712346958.db2.gz PYQBRFHWZPIQIS-MWLCHTKSSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@@H]1CN(CCCO)C[C@H]1NC(=O)C(C)(C)C ZINC001080825918 712354129 /nfs/dbraw/zinc/35/41/29/712354129.db2.gz ZFKBRYNFPLIFEQ-GHMZBOCLSA-N 0 3 242.363 0.851 20 0 BCADHN CCC[C@H](CNc1cc(C)nc(N)n1)OC ZINC000378791118 712361945 /nfs/dbraw/zinc/36/19/45/712361945.db2.gz QOVLNBXVCUKLOP-SECBINFHSA-N 0 3 224.308 0.846 20 0 BCADHN C[C@@H](C[C@H]1CCOC1)NCc1cnn(C)n1 ZINC000390455461 712417957 /nfs/dbraw/zinc/41/79/57/712417957.db2.gz CODNXQJOZBXYID-VHSXEESVSA-N 0 3 224.308 0.720 20 0 BCADHN COc1ccc(CN[C@H](CO)C2CC2)nc1 ZINC000390480955 712418998 /nfs/dbraw/zinc/41/89/98/712418998.db2.gz MTYNJHRIYUSINJ-GFCCVEGCSA-N 0 3 222.288 0.951 20 0 BCADHN O[C@@H]1CN(C[C@@H]2CCC3(CCC3)O2)C[C@@H]1O ZINC000712496499 712431078 /nfs/dbraw/zinc/43/10/78/712431078.db2.gz MVCBGKBFYGDDQC-GARJFASQSA-N 0 3 227.304 0.126 20 0 BCADHN CCN1CC[C@@H]1CNCc1ccn(C)n1 ZINC000712579826 712432806 /nfs/dbraw/zinc/43/28/06/712432806.db2.gz GBHBWBUBXURRJU-LLVKDONJSA-N 0 3 208.309 0.604 20 0 BCADHN CC1(C)OC[C@H](CNC[C@@H](O)C(F)(F)F)O1 ZINC000715074947 712506483 /nfs/dbraw/zinc/50/64/83/712506483.db2.gz DHZAEZBWZFJCRA-NKWVEPMBSA-N 0 3 243.225 0.651 20 0 BCADHN COCCNCC(=O)NCC[C@@H]1CCCS1 ZINC000715895384 712540595 /nfs/dbraw/zinc/54/05/95/712540595.db2.gz PXGYIQRXEPQFQP-JTQLQIEISA-N 0 3 246.376 0.624 20 0 BCADHN CO[C@H]1C[C@@H](CN[C@@H](C)c2cn(C)nn2)C1 ZINC000715895087 712540846 /nfs/dbraw/zinc/54/08/46/712540846.db2.gz UOZFRFUOXOPOSJ-LPEHRKFASA-N 0 3 224.308 0.891 20 0 BCADHN C[C@H](NC[C@H]1CCCN1C)c1cn(C)nn1 ZINC000715912718 712541658 /nfs/dbraw/zinc/54/16/58/712541658.db2.gz QDULIYZOVHMVHL-VHSXEESVSA-N 0 3 223.324 0.560 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC(C(C)(C)O)CC1 ZINC000716417159 712559557 /nfs/dbraw/zinc/55/95/57/712559557.db2.gz YQCWXWBNXGECMA-JTQLQIEISA-N 0 3 228.336 0.733 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCc1cscn1 ZINC000379901626 712622231 /nfs/dbraw/zinc/62/22/31/712622231.db2.gz INRGPBQLCXHKKD-SECBINFHSA-N 0 3 225.317 0.887 20 0 BCADHN CC[C@H](CO)NCc1cc(=O)c(O)co1 ZINC000379954728 712636341 /nfs/dbraw/zinc/63/63/41/712636341.db2.gz UZFAQVNBGFRHDZ-SSDOTTSWSA-N 0 3 213.233 0.206 20 0 BCADHN CC[C@@H](CO)NCc1cc(=O)c(O)co1 ZINC000379954732 712636348 /nfs/dbraw/zinc/63/63/48/712636348.db2.gz UZFAQVNBGFRHDZ-ZETCQYMHSA-N 0 3 213.233 0.206 20 0 BCADHN CCC[C@](C)(N)C(=O)N(CC)CC(=O)NC ZINC000037481485 712648291 /nfs/dbraw/zinc/64/82/91/712648291.db2.gz UKKXXGXWRFCNNV-NSHDSACASA-N 0 3 229.324 0.098 20 0 BCADHN Cc1ncccc1CNC[C@H](O)[C@H](C)O ZINC000717361175 712652190 /nfs/dbraw/zinc/65/21/90/712652190.db2.gz TXGCGSAMMIVJIK-ONGXEEELSA-N 0 3 210.277 0.221 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H]1CC(C)(C)CO1 ZINC000717620903 712662939 /nfs/dbraw/zinc/66/29/39/712662939.db2.gz XTPQTGRYSDQVGI-BDAKNGLRSA-N 0 3 214.309 0.655 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N[C@H](CO)C1CCC1 ZINC000717649034 712663082 /nfs/dbraw/zinc/66/30/82/712663082.db2.gz KJGCJMPSRSDXDY-WDEREUQCSA-N 0 3 226.320 0.391 20 0 BCADHN Cc1cc(N[C@H]2CCS[C@H]2C)nc(N)n1 ZINC000380179349 712706042 /nfs/dbraw/zinc/70/60/42/712706042.db2.gz LJFADPNOPLQDRB-YUMQZZPRSA-N 0 3 224.333 0.925 20 0 BCADHN Cn1cc([C@@H](O)CNCC2(F)CC2)cn1 ZINC000380184379 712706612 /nfs/dbraw/zinc/70/66/12/712706612.db2.gz MQXOBPLLUXIVMC-VIFPVBQESA-N 0 3 213.256 0.545 20 0 BCADHN Cc1nc([C@H](C)N[C@@H]2CCO[C@@H]2C)n[nH]1 ZINC000392385894 712724817 /nfs/dbraw/zinc/72/48/17/712724817.db2.gz QAFKRFVPFMPWHB-LKEWCRSYSA-N 0 3 210.281 0.941 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2CCNCC2(C)C)C1 ZINC000718509767 712768208 /nfs/dbraw/zinc/76/82/08/712768208.db2.gz QOPMHFFPTRPKDN-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN COCC(C)(C)CCNCc1cn(C)nn1 ZINC000718784319 712783006 /nfs/dbraw/zinc/78/30/06/712783006.db2.gz WTJSQKQJZKJKCS-UHFFFAOYSA-N 0 3 226.324 0.967 20 0 BCADHN C[C@H]1C[C@@H]1CNC(=O)c1c(CN)cnn1C ZINC000719257053 712801802 /nfs/dbraw/zinc/80/18/02/712801802.db2.gz PZMDSQXBVOBSPT-JGVFFNPUSA-N 0 3 222.292 0.265 20 0 BCADHN Cn1ncc(CN)c1C(=O)NCC1(C)CC1 ZINC000719258366 712801885 /nfs/dbraw/zinc/80/18/85/712801885.db2.gz YPBORYKHEJZGSM-UHFFFAOYSA-N 0 3 222.292 0.409 20 0 BCADHN CC1CC(NC(=O)c2c(CN)cnn2C)C1 ZINC000719255906 712802204 /nfs/dbraw/zinc/80/22/04/712802204.db2.gz INLUBCIJRWHFTA-UHFFFAOYSA-N 0 3 222.292 0.407 20 0 BCADHN COCCNC(=S)N[C@@H]1CCN(C)[C@@H]1C ZINC000719365078 712805977 /nfs/dbraw/zinc/80/59/77/712805977.db2.gz HYHVYGYQWHNUDJ-RKDXNWHRSA-N 0 3 231.365 0.190 20 0 BCADHN C[C@H]1[C@H](Nc2cc(=O)[n-]cn2)CC[N@@H+]1C ZINC000719569641 712810601 /nfs/dbraw/zinc/81/06/01/712810601.db2.gz LEQXIXCWQNDBNP-JGVFFNPUSA-N 0 3 208.265 0.687 20 0 BCADHN C[C@H]1[C@H](Nc2cc(=O)[n-]cn2)CC[N@H+]1C ZINC000719569641 712810603 /nfs/dbraw/zinc/81/06/03/712810603.db2.gz LEQXIXCWQNDBNP-JGVFFNPUSA-N 0 3 208.265 0.687 20 0 BCADHN C[C@@H]1[C@@H](NCc2cn(C)cn2)CCN1C ZINC000719623622 712814048 /nfs/dbraw/zinc/81/40/48/712814048.db2.gz NBILTMCBEUQWEY-KOLCDFICSA-N 0 3 208.309 0.602 20 0 BCADHN C[C@@]1(CO)C[C@H](O)CN1CCc1ccns1 ZINC000719878808 712825093 /nfs/dbraw/zinc/82/50/93/712825093.db2.gz LVRHWDCERUSPBZ-ONGXEEELSA-N 0 3 242.344 0.503 20 0 BCADHN C[C@@]1(CO)C[C@@H](O)CN1CCc1ccns1 ZINC000719878801 712825212 /nfs/dbraw/zinc/82/52/12/712825212.db2.gz LVRHWDCERUSPBZ-KOLCDFICSA-N 0 3 242.344 0.503 20 0 BCADHN CC[C@H](NCc1cnn(C)n1)[C@H]1CCOC1 ZINC000381364102 710627527 /nfs/dbraw/zinc/62/75/27/710627527.db2.gz GISCUQNCLQWRTI-ONGXEEELSA-N 0 3 224.308 0.720 20 0 BCADHN CC[C@H](C)[C@H](CN[C@H]1CCS(=O)(=O)C1)OC ZINC000381441072 710636336 /nfs/dbraw/zinc/63/63/36/710636336.db2.gz YIJNQZDEOZJPGV-DCAQKATOSA-N 0 3 249.376 0.824 20 0 BCADHN COCCOC[C@@H](C)NCc1cc(C)n[nH]1 ZINC000381463014 710640173 /nfs/dbraw/zinc/64/01/73/710640173.db2.gz LRDDDWBGCFTCGZ-SNVBAGLBSA-N 0 3 227.308 0.859 20 0 BCADHN Cn1cncc1CNC[C@H](O)c1ccco1 ZINC000381602261 710660788 /nfs/dbraw/zinc/66/07/88/710660788.db2.gz OKJMGJXPTLPQEH-JTQLQIEISA-N 0 3 221.260 0.836 20 0 BCADHN CC[C@@]1(NCCS(=O)(=O)C(C)C)CCOC1 ZINC000381620921 710662493 /nfs/dbraw/zinc/66/24/93/710662493.db2.gz ZJLUOPIPINSJCO-LLVKDONJSA-N 0 3 249.376 0.968 20 0 BCADHN CC[C@]1(NCCS(=O)(=O)C(C)C)CCOC1 ZINC000381620923 710662932 /nfs/dbraw/zinc/66/29/32/710662932.db2.gz ZJLUOPIPINSJCO-NSHDSACASA-N 0 3 249.376 0.968 20 0 BCADHN C[C@@H]1C[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccns1 ZINC000721888575 710690448 /nfs/dbraw/zinc/69/04/48/710690448.db2.gz MPOFJDVYBQJETE-RNFRBKRXSA-N 0 3 247.345 0.029 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CC[C@H](C(C)(C)O)C1 ZINC000721839464 710688062 /nfs/dbraw/zinc/68/80/62/710688062.db2.gz WMHOPJZCYAIBHG-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN CCN1CCC[C@@H](N[C@@H]2CCOC2)C1=O ZINC000722355099 710707890 /nfs/dbraw/zinc/70/78/90/710707890.db2.gz HMQYGCCNWKLKQS-NXEZZACHSA-N 0 3 212.293 0.376 20 0 BCADHN c1nc2n(c1CNC[C@@H]1CCCO1)CCOC2 ZINC000722826902 710720846 /nfs/dbraw/zinc/72/08/46/710720846.db2.gz KUCBJOKFKOWZNC-NSHDSACASA-N 0 3 237.303 0.682 20 0 BCADHN Cc1cc(CNCC[C@@H]2CC(=O)N(C)C2)on1 ZINC000723547000 710727904 /nfs/dbraw/zinc/72/79/04/710727904.db2.gz ZPOHKZONFVRYKP-SNVBAGLBSA-N 0 3 237.303 0.941 20 0 BCADHN C[C@@H](NCCO[C@H]1CCOC1)c1cnn(C)c1 ZINC000724927346 710750586 /nfs/dbraw/zinc/75/05/86/710750586.db2.gz YISWSXZJKYERHF-PWSUYJOCSA-N 0 3 239.319 0.876 20 0 BCADHN Cc1cc(C(=O)NOCCN(C)C)no1 ZINC000382052836 710769318 /nfs/dbraw/zinc/76/93/18/710769318.db2.gz ATJNHEUAIBMRPO-UHFFFAOYSA-N 0 3 213.237 0.206 20 0 BCADHN CN(C)CCONC(=O)c1ccncc1F ZINC000382072824 710774035 /nfs/dbraw/zinc/77/40/35/710774035.db2.gz GMGSICCQUBGLRW-UHFFFAOYSA-N 0 3 227.239 0.444 20 0 BCADHN CCOC(CN(C)CCC(N)=O)OCC ZINC000382080812 710774079 /nfs/dbraw/zinc/77/40/79/710774079.db2.gz OUBHGWAHCBCWEE-UHFFFAOYSA-N 0 3 218.297 0.193 20 0 BCADHN CCN1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001042547361 710791459 /nfs/dbraw/zinc/79/14/59/710791459.db2.gz NVNPKPKCHTYJQG-LLVKDONJSA-N 0 3 225.336 0.243 20 0 BCADHN C[C@@]1(NC(=O)C2CCC2)CCN(CCO)C1 ZINC001046093966 710848462 /nfs/dbraw/zinc/84/84/62/710848462.db2.gz MTQYMYJZYJMUCG-GFCCVEGCSA-N 0 3 226.320 0.359 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cnc(C)[nH]2)C1 ZINC001046200502 710855349 /nfs/dbraw/zinc/85/53/49/710855349.db2.gz RILUDDXFPMJLOK-LBPRGKRZSA-N 0 3 236.319 0.932 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cc(C)ncn2)C1 ZINC001046250400 710857666 /nfs/dbraw/zinc/85/76/66/710857666.db2.gz ZLQVBQMPMRQSQO-ZDUSSCGKSA-N 0 3 248.330 0.999 20 0 BCADHN C[C@@]1(NC(=O)[C@H]2CC2(F)F)CCN(CCO)C1 ZINC001046301593 710857920 /nfs/dbraw/zinc/85/79/20/710857920.db2.gz DTPICGBLEHFEOH-PSASIEDQSA-N 0 3 248.273 0.215 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cnnc(C)c2)C1 ZINC001046269664 710858727 /nfs/dbraw/zinc/85/87/27/710858727.db2.gz NTSWOKIEHXDIJO-ZDUSSCGKSA-N 0 3 248.330 0.999 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cnnc(C)c2)C1 ZINC001046269663 710858967 /nfs/dbraw/zinc/85/89/67/710858967.db2.gz NTSWOKIEHXDIJO-CYBMUJFWSA-N 0 3 248.330 0.999 20 0 BCADHN C[C@]1(NC(=O)[C@H]2CC2(F)F)CCN(CCO)C1 ZINC001046301594 710859180 /nfs/dbraw/zinc/85/91/80/710859180.db2.gz DTPICGBLEHFEOH-SCZZXKLOSA-N 0 3 248.273 0.215 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N[C@]1(C)CCN(CCO)C1 ZINC001046554109 710861662 /nfs/dbraw/zinc/86/16/62/710861662.db2.gz LZKJZIRYMGBJMF-JBLDHEPKSA-N 0 3 226.320 0.215 20 0 BCADHN CC(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCO)C1 ZINC001071349846 710868370 /nfs/dbraw/zinc/86/83/70/710868370.db2.gz MIJUTAUFBVNETG-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)CC2CC2)C1 ZINC001047276292 710870216 /nfs/dbraw/zinc/87/02/16/710870216.db2.gz PSAAIUVBJGZIDZ-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)CC2CC2)C1 ZINC001047276143 710870740 /nfs/dbraw/zinc/87/07/40/710870740.db2.gz KQLCXEKAWSWJCS-QWRGUYRKSA-N 0 3 226.320 0.310 20 0 BCADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCC2)C1 ZINC001047275076 710871033 /nfs/dbraw/zinc/87/10/33/710871033.db2.gz VNTRSNZZRPIUQI-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H]1CC[C@H](NC(=O)C2(C)CC2)CN1CCO ZINC001071523517 710895370 /nfs/dbraw/zinc/89/53/70/710895370.db2.gz ZZXIIYRXLLORBL-QWRGUYRKSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H](C[S@](C)=O)N(C)CCC1OCCCO1 ZINC000399887554 710912700 /nfs/dbraw/zinc/91/27/00/710912700.db2.gz WEQBXAXMNOVHEE-QFYYESIMSA-N 0 3 249.376 0.838 20 0 BCADHN CC[C@@H]1CN(c2ccncc2CO)C[C@@H]1O ZINC000399998315 710912807 /nfs/dbraw/zinc/91/28/07/710912807.db2.gz ULCSNDYXGKYZPW-SKDRFNHKSA-N 0 3 222.288 0.781 20 0 BCADHN CCC/C=C\C(=O)NC[C@H]1CNCCO1 ZINC000383812698 710946152 /nfs/dbraw/zinc/94/61/52/710946152.db2.gz BORBKNYLHQGZAR-UMCURTJPSA-N 0 3 212.293 0.447 20 0 BCADHN CC(=O)N1C[C@@H](C)[C@@H](NCc2cnn(C)c2)C1 ZINC001054300978 710925774 /nfs/dbraw/zinc/92/57/74/710925774.db2.gz XCFUIGBZDHBKQM-SKDRFNHKSA-N 0 3 236.319 0.377 20 0 BCADHN C[C@H]1CN(C(=O)C2CC2)C[C@H]1NCCF ZINC001054311259 710927223 /nfs/dbraw/zinc/92/72/23/710927223.db2.gz KUVOOPNARNABPE-WCBMZHEXSA-N 0 3 214.284 0.802 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccon2)C[C@H]1NCCF ZINC001054447088 710934895 /nfs/dbraw/zinc/93/48/95/710934895.db2.gz WKPXFLABWIOIQL-PSASIEDQSA-N 0 3 241.266 0.694 20 0 BCADHN C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1NCCF ZINC001054605717 710939239 /nfs/dbraw/zinc/93/92/39/710939239.db2.gz ICMXBNAIFGZYOJ-ZJUUUORDSA-N 0 3 246.326 0.553 20 0 BCADHN C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1NCCF ZINC001054634053 710940150 /nfs/dbraw/zinc/94/01/50/710940150.db2.gz JFRDZSZPOCGONU-RKDXNWHRSA-N 0 3 240.282 0.429 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC(=O)[C@H](N)CC1CC1 ZINC000382501964 710972092 /nfs/dbraw/zinc/97/20/92/710972092.db2.gz SJBPGXJSTRXOED-WCBMZHEXSA-N 0 3 241.335 0.097 20 0 BCADHN Cc1cc(NC[C@H](C)CCCO)nc(N)n1 ZINC000384386619 710992509 /nfs/dbraw/zinc/99/25/09/710992509.db2.gz PWHVXBYXSKQZKL-MRVPVSSYSA-N 0 3 224.308 0.440 20 0 BCADHN C[C@H]1C[C@@H](O)CN1c1ccnc(CO)c1 ZINC000385089826 711005619 /nfs/dbraw/zinc/00/56/19/711005619.db2.gz KPTKEMGXIHQGPU-GZMMTYOYSA-N 0 3 208.261 0.533 20 0 BCADHN COCC[C@H](N)C(=O)N1CC[C@H](C)[C@H]1C ZINC000380623707 712902121 /nfs/dbraw/zinc/90/21/21/712902121.db2.gz BJJKTVZPNKEGST-AEJSXWLSSA-N 0 3 214.309 0.607 20 0 BCADHN CCS(=O)(=O)CCN[C@H](C)[C@H](OC)C1CC1 ZINC000388249527 711054836 /nfs/dbraw/zinc/05/48/36/711054836.db2.gz VPSIZFLMBATXGF-KOLCDFICSA-N 0 3 249.376 0.824 20 0 BCADHN CCCN(CC(F)F)C(=O)[C@@H](N)CCOC ZINC000386402862 711029422 /nfs/dbraw/zinc/02/94/22/711029422.db2.gz LWZPFAKOHBQMBI-QMMMGPOBSA-N 0 3 238.278 0.854 20 0 BCADHN COC(=O)/C(C)=C\CN1C[C@H](O)[C@@H](C)C1 ZINC000388252716 711056380 /nfs/dbraw/zinc/05/63/80/711056380.db2.gz VOZFJODRVSTZJD-BBYBGLFNSA-N 0 3 213.277 0.418 20 0 BCADHN C[C@H](CO)NCc1cc(Br)nn1C ZINC000388258412 711056423 /nfs/dbraw/zinc/05/64/23/711056423.db2.gz APRIOKGBYWCZOB-ZCFIWIBFSA-N 0 3 248.124 0.653 20 0 BCADHN C[C@H]1CN(c2ccnc(CO)c2)C[C@H]1O ZINC000387885017 711048746 /nfs/dbraw/zinc/04/87/46/711048746.db2.gz NOROFZDGIUGEOG-GZMMTYOYSA-N 0 3 208.261 0.391 20 0 BCADHN CCO[C@@H]1C[C@@H](NC(COC)COC)[C@H]1OC ZINC000388447981 711061637 /nfs/dbraw/zinc/06/16/37/711061637.db2.gz WKIOJHLTGGFMDI-IJLUTSLNSA-N 0 3 247.335 0.430 20 0 BCADHN CNC(=O)CCN(C)C/C=C(\C)C(=O)OC ZINC000380775674 712903071 /nfs/dbraw/zinc/90/30/71/712903071.db2.gz IWPLJOFWCJILIV-WEVVVXLNSA-N 0 3 228.292 0.174 20 0 BCADHN Cn1cc([C@H](O)CNC2CSC2)cn1 ZINC000389223659 711073367 /nfs/dbraw/zinc/07/33/67/711073367.db2.gz OPJSQBBYVFNNRK-SECBINFHSA-N 0 3 213.306 0.159 20 0 BCADHN Cc1cc(N[C@@H](C)[C@@H]2CCCOC2)nc(N)n1 ZINC000389245118 711074876 /nfs/dbraw/zinc/07/48/76/711074876.db2.gz ALAUZBKZGPVUIW-VHSXEESVSA-N 0 3 236.319 0.846 20 0 BCADHN CO[C@@H](C)[C@H](C)Nc1cc(C)nc(N)n1 ZINC000389598680 711082285 /nfs/dbraw/zinc/08/22/85/711082285.db2.gz RWWSKIWECWESOF-YUMQZZPRSA-N 0 3 210.281 0.455 20 0 BCADHN Cn1cnc(CNCC(C)(C)CCO)c1 ZINC000389639845 711084095 /nfs/dbraw/zinc/08/40/95/711084095.db2.gz PYCJNJLKOLBOIX-UHFFFAOYSA-N 0 3 211.309 0.918 20 0 BCADHN C[C@](O)(CNCc1cnccn1)C1CC1 ZINC000389653951 711085466 /nfs/dbraw/zinc/08/54/66/711085466.db2.gz XUZVVCNVCWGXFU-NSHDSACASA-N 0 3 207.277 0.727 20 0 BCADHN Cc1nnsc1CNCCc1cnccn1 ZINC000389926917 711098033 /nfs/dbraw/zinc/09/80/33/711098033.db2.gz HVCDMODZCNOZTF-UHFFFAOYSA-N 0 3 235.316 0.969 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000390029345 711104431 /nfs/dbraw/zinc/10/44/31/711104431.db2.gz YIZCZBOHIRVQGX-SNVBAGLBSA-N 0 3 235.287 0.611 20 0 BCADHN CC(C)N1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000390130792 711106691 /nfs/dbraw/zinc/10/66/91/711106691.db2.gz HGBMWWNXGCFUDQ-JTQLQIEISA-N 0 3 222.292 0.622 20 0 BCADHN Cc1cc(N(C)C[C@H]2CCOC2)nc(N)n1 ZINC000390171935 711107478 /nfs/dbraw/zinc/10/74/78/711107478.db2.gz HEGLMOBZEFAHIN-SECBINFHSA-N 0 3 222.292 0.670 20 0 BCADHN Cc1cc(CNc2cc(C)nc(N)n2)n(C)n1 ZINC000390282260 711111149 /nfs/dbraw/zinc/11/11/49/711111149.db2.gz DQDCXSXGROVSAP-UHFFFAOYSA-N 0 3 232.291 0.274 20 0 BCADHN Cc1cc(N(C)Cc2cc[nH]n2)nc(N)n1 ZINC000390333302 711112972 /nfs/dbraw/zinc/11/29/72/711112972.db2.gz LCBOPEDMKIHXOM-UHFFFAOYSA-N 0 3 218.264 0.557 20 0 BCADHN CC(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC000390370806 711114173 /nfs/dbraw/zinc/11/41/73/711114173.db2.gz VTRBYDTWGMERQP-JTQLQIEISA-N 0 3 222.292 0.131 20 0 BCADHN CCC(=O)N1CC[C@H](NCc2c[nH]cn2)C1 ZINC000390476104 711119994 /nfs/dbraw/zinc/11/99/94/711119994.db2.gz KUJVVPSZUGTHAT-VIFPVBQESA-N 0 3 222.292 0.510 20 0 BCADHN CCC(=O)N1CC[C@H](NCc2cnc[nH]2)C1 ZINC000390476104 711119997 /nfs/dbraw/zinc/11/99/97/711119997.db2.gz KUJVVPSZUGTHAT-VIFPVBQESA-N 0 3 222.292 0.510 20 0 BCADHN CCOC(CN(CCO)C[C@H](C)O)OCC ZINC000390607952 711127604 /nfs/dbraw/zinc/12/76/04/711127604.db2.gz DENYZLPRXICDBB-JTQLQIEISA-N 0 3 235.324 0.061 20 0 BCADHN CN(C)CCONC(=O)c1ccc(C#N)cc1 ZINC000393363014 711158128 /nfs/dbraw/zinc/15/81/28/711158128.db2.gz INFSKZZAVCBQIY-UHFFFAOYSA-N 0 3 233.271 0.781 20 0 BCADHN CCS(=O)(=O)CCNC[C@@H](OC)C1CC1 ZINC000393495242 711160200 /nfs/dbraw/zinc/16/02/00/711160200.db2.gz XCNXJRYWQVNFHM-SNVBAGLBSA-N 0 3 235.349 0.436 20 0 BCADHN CCOCC(C)(C)NCC(=O)N(C)OC ZINC000393496477 711161997 /nfs/dbraw/zinc/16/19/97/711161997.db2.gz QALXEYRQVOAXGO-UHFFFAOYSA-N 0 3 218.297 0.411 20 0 BCADHN Cc1nc(C)c(C(=O)NOCCN(C)C)s1 ZINC000393525906 711162085 /nfs/dbraw/zinc/16/20/85/711162085.db2.gz SZOWVZHUEGCYGT-UHFFFAOYSA-N 0 3 243.332 0.983 20 0 BCADHN CN(CCS(N)(=O)=O)C1CCCC1 ZINC000393712976 711170804 /nfs/dbraw/zinc/17/08/04/711170804.db2.gz AYHCMSKPNKOUBN-UHFFFAOYSA-N 0 3 206.311 0.149 20 0 BCADHN COCCN1C[C@@H](NC(C)=O)CC[C@H]1C ZINC001071286510 711184513 /nfs/dbraw/zinc/18/45/13/711184513.db2.gz WGPUJXXIFWPXGQ-KOLCDFICSA-N 0 3 214.309 0.622 20 0 BCADHN COCCN1C[C@H](NC(C)=O)CC[C@@H]1C ZINC001071286509 711185209 /nfs/dbraw/zinc/18/52/09/711185209.db2.gz WGPUJXXIFWPXGQ-GXSJLCMTSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H]1CC[C@@H](NC(=O)C2CCC2)CN1CCO ZINC001071304707 711186947 /nfs/dbraw/zinc/18/69/47/711186947.db2.gz JKSSVCIDOALWDK-CMPLNLGQSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H]1CC[C@@H](NC(=O)CC2CC2)CN1CCO ZINC001071309493 711187465 /nfs/dbraw/zinc/18/74/65/711187465.db2.gz BBUAUEKRVGRVEL-CMPLNLGQSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@]1(CNC(=O)[C@@H](N)CC2CC2)CCOC1 ZINC000397106998 711377077 /nfs/dbraw/zinc/37/70/77/711377077.db2.gz AEZSMIGBYZSTSB-CMPLNLGQSA-N 0 3 226.320 0.657 20 0 BCADHN Cc1cc(N[C@H]2CS[C@@H](C)C2)nc(N)n1 ZINC000398013143 711399204 /nfs/dbraw/zinc/39/92/04/711399204.db2.gz ZOWKTGDMDOVCBP-JGVFFNPUSA-N 0 3 224.333 0.925 20 0 BCADHN C[C@@H](CNC(=O)[C@@H](N)CC1CC1)C[C@H](C)O ZINC000398636492 711413008 /nfs/dbraw/zinc/41/30/08/711413008.db2.gz QOKSXHCFSOTBSJ-YWVKMMECSA-N 0 3 228.336 0.637 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NC[C@H](C)C[C@H](C)O ZINC000398647615 711413337 /nfs/dbraw/zinc/41/33/37/711413337.db2.gz XSHDCOXGATZSMV-OUAUKWLOSA-N 0 3 230.352 0.883 20 0 BCADHN C[C@@H](C[S@@](C)=O)N(C)c1ccnc(CO)c1 ZINC000399090699 711420382 /nfs/dbraw/zinc/42/03/82/711420382.db2.gz OROSHBLTHQKINO-XXFAHNHDSA-N 0 3 242.344 0.777 20 0 BCADHN CCN1CCCO[C@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001073727127 711440055 /nfs/dbraw/zinc/44/00/55/711440055.db2.gz TXGITVRVNAEAJP-TUAOUCFPSA-N 0 3 240.347 0.869 20 0 BCADHN Cn1ncc(CNCCCOCCO)c1Cl ZINC000393475471 710606747 /nfs/dbraw/zinc/60/67/47/710606747.db2.gz LWMIZAFHRGDHFM-UHFFFAOYSA-N 0 3 247.726 0.562 20 0 BCADHN CCNC(=O)CNC[C@H](OC)[C@@H](C)CC ZINC000381271073 710614341 /nfs/dbraw/zinc/61/43/41/710614341.db2.gz HUMLKCYDCHQYJK-UWVGGRQHSA-N 0 3 216.325 0.773 20 0 BCADHN CC[C@@H](NCc1cnn(C)n1)[C@@H]1CCOC1 ZINC000381364099 710628111 /nfs/dbraw/zinc/62/81/11/710628111.db2.gz GISCUQNCLQWRTI-MWLCHTKSSA-N 0 3 224.308 0.720 20 0 BCADHN O=C(C(F)F)N1CC[C@H]2CCN(CCO)[C@H]2C1 ZINC001041875312 710770909 /nfs/dbraw/zinc/77/09/09/710770909.db2.gz CZTBAZFSXXOSOV-BDAKNGLRSA-N 0 3 248.273 0.167 20 0 BCADHN CCN1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001043100079 710803787 /nfs/dbraw/zinc/80/37/87/710803787.db2.gz SVHVWLOLUJEYEY-LBPRGKRZSA-N 0 3 239.363 0.633 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cc(C)ncn2)C1 ZINC001046250399 710856515 /nfs/dbraw/zinc/85/65/15/710856515.db2.gz ZLQVBQMPMRQSQO-CYBMUJFWSA-N 0 3 248.330 0.999 20 0 BCADHN C[C@@]1(NC(=O)[C@H]2CC23CC3)CCN(CCO)C1 ZINC001046654925 710862861 /nfs/dbraw/zinc/86/28/61/710862861.db2.gz HBTIXBWGLULCHB-ZYHUDNBSSA-N 0 3 238.331 0.359 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(CCO)C1 ZINC001046633634 710863093 /nfs/dbraw/zinc/86/30/93/710863093.db2.gz VEWMSYMTMOVXDB-NQBHXWOUSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1NCCF ZINC001054428052 710934039 /nfs/dbraw/zinc/93/40/39/710934039.db2.gz FPFRYFIXKCSFDS-WCBMZHEXSA-N 0 3 240.282 0.429 20 0 BCADHN C[C@@H](C[C@@H]1CCC(=O)N1)NCc1nccn1C ZINC000383284331 710979332 /nfs/dbraw/zinc/97/93/32/710979332.db2.gz LRVMKLASMFRTIB-UWVGGRQHSA-N 0 3 236.319 0.567 20 0 BCADHN C[C@H]1C[C@H](NCc2cnn(C)n2)CN1C1CC1 ZINC000389820217 711090646 /nfs/dbraw/zinc/09/06/46/711090646.db2.gz CKHVBQGUWHTFDS-UWVGGRQHSA-N 0 3 235.335 0.530 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCc1cc[nH]c(=O)c1 ZINC000392664636 711149707 /nfs/dbraw/zinc/14/97/07/711149707.db2.gz CPMPIXLRPHIBNZ-QMMMGPOBSA-N 0 3 244.316 0.310 20 0 BCADHN C[C@@H]1CC[C@H](NC(=O)C2(C)CC2)CN1CCO ZINC001071523516 711195220 /nfs/dbraw/zinc/19/52/20/711195220.db2.gz ZZXIIYRXLLORBL-MNOVXSKESA-N 0 3 240.347 0.748 20 0 BCADHN CCOC(CN1CC[C@@H](O)[C@H](CO)C1)OCC ZINC000396918073 711372807 /nfs/dbraw/zinc/37/28/07/711372807.db2.gz QLOAYRZEDSMKLI-WDEREUQCSA-N 0 3 247.335 0.061 20 0 BCADHN CON(C)C(=O)CN[C@@H](C)C(C)(C)OC ZINC000397544205 711386253 /nfs/dbraw/zinc/38/62/53/711386253.db2.gz ZRFFHVGKZZBSHQ-QMMMGPOBSA-N 0 3 218.297 0.409 20 0 BCADHN CO[C@@H]1C[C@H](NCC(=O)N(C)OC)C12CCC2 ZINC000397551147 711387045 /nfs/dbraw/zinc/38/70/45/711387045.db2.gz YPZLPJFUEDWHNC-VHSXEESVSA-N 0 3 242.319 0.553 20 0 BCADHN CCN1CC([C@@H](C)NC(=O)c2cnc(C)cn2)C1 ZINC000969244497 711453568 /nfs/dbraw/zinc/45/35/68/711453568.db2.gz XFDIEARJUJCNEL-SNVBAGLBSA-N 0 3 248.330 0.855 20 0 BCADHN CN1CCNC[C@H]1C(=O)Nc1ccccc1 ZINC000145932507 711463700 /nfs/dbraw/zinc/46/37/00/711463700.db2.gz LBJIXWPUUUTSRM-NSHDSACASA-N 0 3 219.288 0.529 20 0 BCADHN C[C@H]1C[C@@H](NCc2cnc3n2CCOC3)CO1 ZINC000722827576 711475755 /nfs/dbraw/zinc/47/57/55/711475755.db2.gz PRKZXGWCJFPHIJ-VHSXEESVSA-N 0 3 237.303 0.680 20 0 BCADHN Cc1[nH][nH]c(=NC(=O)[C@@H]2CCN(C)C2)c1C ZINC000386135234 711491844 /nfs/dbraw/zinc/49/18/44/711491844.db2.gz FYUHZBLRQSEMFK-SECBINFHSA-N 0 3 222.292 0.339 20 0 BCADHN CCCN1CC[C@H]1CNC(=O)C1=COCCO1 ZINC001038038394 711504902 /nfs/dbraw/zinc/50/49/02/711504902.db2.gz XLOHMMDOSJPGGG-JTQLQIEISA-N 0 3 240.303 0.475 20 0 BCADHN CC[C@@H](NCc1nnnn1C)[C@H]1CCCOC1 ZINC000724000888 711553421 /nfs/dbraw/zinc/55/34/21/711553421.db2.gz FZUJBYZJXDPPMC-VHSXEESVSA-N 0 3 239.323 0.505 20 0 BCADHN CO[C@H]1CC[C@H]1N(C)c1cc(C)nc(N)n1 ZINC000724158579 711565534 /nfs/dbraw/zinc/56/55/34/711565534.db2.gz YTCIJBCEMYOQTN-BDAKNGLRSA-N 0 3 222.292 0.981 20 0 BCADHN CO[C@@H](C)[C@@H](C)NCCS(=O)(=O)C(C)C ZINC000309122812 711591895 /nfs/dbraw/zinc/59/18/95/711591895.db2.gz UYTLOMMITMPAKN-ZJUUUORDSA-N 0 3 237.365 0.823 20 0 BCADHN CO[C@@H](C)[C@H](C)NCCS(=O)(=O)C(C)C ZINC000309122804 711591950 /nfs/dbraw/zinc/59/19/50/711591950.db2.gz UYTLOMMITMPAKN-UWVGGRQHSA-N 0 3 237.365 0.823 20 0 BCADHN Cn1nccc1CNC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724651846 711605405 /nfs/dbraw/zinc/60/54/05/711605405.db2.gz BGSIHGVEKUZFGW-JLLWLGSASA-N 0 3 237.303 0.314 20 0 BCADHN OC1CCN(CCO[C@H]2CCOC2)CC1 ZINC000724974629 711639630 /nfs/dbraw/zinc/63/96/30/711639630.db2.gz CQYQVWMWZLVQPD-NSHDSACASA-N 0 3 215.293 0.249 20 0 BCADHN COC[C@@](C)(CO)NCc1[nH]c(C)nc1C ZINC000724783854 711613901 /nfs/dbraw/zinc/61/39/01/711613901.db2.gz BGCWDDKCXODCLS-LLVKDONJSA-N 0 3 227.308 0.514 20 0 BCADHN CCOC(=O)/C=C/CN(C)CC[C@@H](C)O ZINC000135385083 711620603 /nfs/dbraw/zinc/62/06/03/711620603.db2.gz SLJFOCVGWFXRQD-BRAIEQGRSA-N 0 3 215.293 0.808 20 0 BCADHN COCC(COC)N[C@@H]1COCC[C@H]1OC ZINC000724887053 711625474 /nfs/dbraw/zinc/62/54/74/711625474.db2.gz NMFNNDFUPCGUEP-GHMZBOCLSA-N 0 3 233.308 0.041 20 0 BCADHN OC1CC2(C[C@@H]2NCc2cnc3n2CCC3)C1 ZINC000724916434 711627580 /nfs/dbraw/zinc/62/75/80/711627580.db2.gz CLGRNTVRWYYOAI-AKJDGMEZSA-N 0 3 233.315 0.832 20 0 BCADHN CC1(C)CN(CCO[C@@H]2CCOC2)CC[C@@H]1O ZINC000724985106 711640692 /nfs/dbraw/zinc/64/06/92/711640692.db2.gz KYWLJLQTDYIALL-NEPJUHHUSA-N 0 3 243.347 0.885 20 0 BCADHN N[C@H](CC1CC1)C(=O)NC1CCOCC1 ZINC000308962417 711656173 /nfs/dbraw/zinc/65/61/73/711656173.db2.gz KLJGKBYEHXITMV-SNVBAGLBSA-N 0 3 212.293 0.409 20 0 BCADHN Cc1cc(N2CCC[C@H](O)CC2)nc(N)n1 ZINC000382409363 711657840 /nfs/dbraw/zinc/65/78/40/711657840.db2.gz TUIJOZNNFPWJCS-VIFPVBQESA-N 0 3 222.292 0.549 20 0 BCADHN C[C@@H](O)CN1CCCC[C@@H]1C1OCCO1 ZINC000725662910 711669169 /nfs/dbraw/zinc/66/91/69/711669169.db2.gz MWFDSVIJHFCUKK-NXEZZACHSA-N 0 3 215.293 0.595 20 0 BCADHN Cc1cc(N2CCC[C@@H](CO)CC2)nc(N)n1 ZINC000383127752 711682958 /nfs/dbraw/zinc/68/29/58/711682958.db2.gz UUFVOALZGFKADT-SNVBAGLBSA-N 0 3 236.319 0.796 20 0 BCADHN COC[C@@H](C)NC(=S)N[C@@H]1CCN(C)C1 ZINC000136167287 711689104 /nfs/dbraw/zinc/68/91/04/711689104.db2.gz KNCCPBUBWFKUKV-RKDXNWHRSA-N 0 3 231.365 0.190 20 0 BCADHN C[C@H](NCc1cnnn1C)[C@H]1CCCCO1 ZINC000309771487 711700861 /nfs/dbraw/zinc/70/08/61/711700861.db2.gz KPKBNSQXMCHTOP-GXSJLCMTSA-N 0 3 224.308 0.862 20 0 BCADHN CCN1C[C@H](NC(=O)c2ncccn2)C(C)(C)C1 ZINC000977357178 711730197 /nfs/dbraw/zinc/73/01/97/711730197.db2.gz BXTKMVRAPMXVDR-JTQLQIEISA-N 0 3 248.330 0.937 20 0 BCADHN O=C(NC[C@H]1CCCN1CCO)C1CCCC1 ZINC001027721092 711733238 /nfs/dbraw/zinc/73/32/38/711733238.db2.gz XMHBPPBYNUDSOI-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN O=C(NC[C@H]1CCCN1CCO)[C@@H]1CC1(F)F ZINC001027873182 711740084 /nfs/dbraw/zinc/74/00/84/711740084.db2.gz YYLBIQYASUAZJU-BDAKNGLRSA-N 0 3 248.273 0.215 20 0 BCADHN C[C@@H]([NH3+])[C@@H](C)C(=O)[N-]OCC(F)(F)F ZINC000165606474 711775892 /nfs/dbraw/zinc/77/58/92/711775892.db2.gz XOVUVXGSFAPFTO-RFZPGFLSSA-N 0 3 214.187 0.580 20 0 BCADHN CN(C)C(=O)CN1CC[C@@H](C(C)(C)O)C1 ZINC000721863989 711791930 /nfs/dbraw/zinc/79/19/30/711791930.db2.gz RNSZMVWWJVYBNB-SECBINFHSA-N 0 3 214.309 0.167 20 0 BCADHN CS(=O)(=O)CCN[C@H]1CC12CCC2 ZINC000721253883 711798158 /nfs/dbraw/zinc/79/81/58/711798158.db2.gz ZNMDECLJYFSGIZ-QMMMGPOBSA-N 0 3 203.307 0.563 20 0 BCADHN CCN1C[C@@H]2CCN(C(=O)c3ccn(C)n3)[C@@H]2C1 ZINC001076570375 711806065 /nfs/dbraw/zinc/80/60/65/711806065.db2.gz LMMKBNJLTCMMCY-CMPLNLGQSA-N 0 3 248.330 0.586 20 0 BCADHN CCN(CC)C(=O)CN[C@H]1CCOC1 ZINC000087416011 711835263 /nfs/dbraw/zinc/83/52/63/711835263.db2.gz KXWOVJBHPYXHRD-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN COCC[C@H](N)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000219829415 711861666 /nfs/dbraw/zinc/86/16/66/711861666.db2.gz OICKQJLCNYMVLY-AEJSXWLSSA-N 0 3 214.309 0.465 20 0 BCADHN CCC(=O)N[C@@H]1CCCN(CCO)[C@H]1C ZINC000992930315 711861742 /nfs/dbraw/zinc/86/17/42/711861742.db2.gz XSCKJBHXLNAJRO-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H](O)CN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925335582 711883440 /nfs/dbraw/zinc/88/34/40/711883440.db2.gz OCANXVWVFXLSRM-OPRDCNLKSA-N 0 3 229.324 0.101 20 0 BCADHN CCN1CC(CNC(=O)c2ncccc2OC)C1 ZINC001032152407 711904755 /nfs/dbraw/zinc/90/47/55/711904755.db2.gz SHGAKXFTJLTKKN-UHFFFAOYSA-N 0 3 249.314 0.772 20 0 BCADHN CCN1CC(CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001032153427 711904783 /nfs/dbraw/zinc/90/47/83/711904783.db2.gz NZODKEWDPJXDFK-UHFFFAOYSA-N 0 3 247.302 0.344 20 0 BCADHN CC(=O)NC1CCN(CCn2cccn2)CC1 ZINC000050989716 711925247 /nfs/dbraw/zinc/92/52/47/711925247.db2.gz SJYZFSKRTYMTSA-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C1 ZINC001078052593 711939491 /nfs/dbraw/zinc/93/94/91/711939491.db2.gz OMSJGISMERZQJN-GHMZBOCLSA-N 0 3 242.363 0.850 20 0 BCADHN CC(C)N1CC[C@H](NC(=O)c2cnccn2)C1 ZINC000070876975 711941111 /nfs/dbraw/zinc/94/11/11/711941111.db2.gz JLHKQJFBWJPXQH-JTQLQIEISA-N 0 3 234.303 0.689 20 0 BCADHN CC(C)N1CC[C@@H](NC(=O)c2cnccn2)C1 ZINC000070876977 711941135 /nfs/dbraw/zinc/94/11/35/711941135.db2.gz JLHKQJFBWJPXQH-SNVBAGLBSA-N 0 3 234.303 0.689 20 0 BCADHN CC(=O)N1C[C@@H](C)[C@@H](NCc2ccnn2C)C1 ZINC001054300494 711945638 /nfs/dbraw/zinc/94/56/38/711945638.db2.gz GKGJHBKDVWFSLL-SKDRFNHKSA-N 0 3 236.319 0.377 20 0 BCADHN CO[C@@H](C)CN1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001032838932 711958478 /nfs/dbraw/zinc/95/84/78/711958478.db2.gz MCUPGOFMOXIODK-YFKTTZPYSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001032838887 711958520 /nfs/dbraw/zinc/95/85/20/711958520.db2.gz WGPZBQWYVBMOEE-LMLFDSFASA-N 0 3 226.320 0.214 20 0 BCADHN CN(C(=O)CC1CC1)[C@@H]1CCN(CCO)C1 ZINC001032873807 711965566 /nfs/dbraw/zinc/96/55/66/711965566.db2.gz XRPRXNOCKZEBEV-LLVKDONJSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@@H](C(=O)N(C)[C@@H]1CCN(CCO)C1)C1CC1 ZINC001032990343 711970322 /nfs/dbraw/zinc/97/03/22/711970322.db2.gz DDKVNBHEZRTBID-ZYHUDNBSSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCCC(=O)[C@@H]1C ZINC000922481199 711972357 /nfs/dbraw/zinc/97/23/57/711972357.db2.gz QSGUUBLJVRUSFR-UWVGGRQHSA-N 0 3 241.335 0.700 20 0 BCADHN C[C@@H](CCNCc1c[nH]cn1)[S@](C)=O ZINC000132599140 711972656 /nfs/dbraw/zinc/97/26/56/711972656.db2.gz QTHZVCLNTMWFAU-RMLUDKJBSA-N 0 3 215.322 0.656 20 0 BCADHN C[C@@H](CCNCc1cnc[nH]1)[S@](C)=O ZINC000132599140 711972659 /nfs/dbraw/zinc/97/26/59/711972659.db2.gz QTHZVCLNTMWFAU-RMLUDKJBSA-N 0 3 215.322 0.656 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2ccnnc2C)C1 ZINC001033232364 711980546 /nfs/dbraw/zinc/98/05/46/711980546.db2.gz HYZHEYWLFGRWRD-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CN1CCOC[C@@H]1CN[C@@H]1CCc2cccnc21 ZINC000700133023 711986597 /nfs/dbraw/zinc/98/65/97/711986597.db2.gz YQSAIKLMIWUKRY-QWHCGFSZSA-N 0 3 247.342 0.989 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N[C@@H]1C=CCC1 ZINC000700505261 711995312 /nfs/dbraw/zinc/99/53/12/711995312.db2.gz MSYOPYJKIZGNMV-RQJHMYQMSA-N 0 3 204.220 0.804 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2cccnn2)C1 ZINC001033524015 711999965 /nfs/dbraw/zinc/99/99/65/711999965.db2.gz VHINLFVJSTZGGQ-SNVBAGLBSA-N 0 3 234.303 0.643 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC001033535661 712003762 /nfs/dbraw/zinc/00/37/62/712003762.db2.gz HYZSRIUIARQNLP-YPMHNXCESA-N 0 3 240.347 0.966 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2[nH]cnc2C)C1 ZINC001033711140 712015177 /nfs/dbraw/zinc/01/51/77/712015177.db2.gz MDMNXLWLBWIADW-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN COCC[C@H](N)C(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000701105402 712015758 /nfs/dbraw/zinc/01/57/58/712015758.db2.gz HZGXXTZFWKWGKA-SSRBZLIGSA-N 0 3 244.335 0.278 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1CCOC1CCCCC1 ZINC000701307631 712019521 /nfs/dbraw/zinc/01/95/21/712019521.db2.gz RERMLIMPGLORTB-NWDGAFQWSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C\c2cnn(C)c2)[C@@H](C)CN1 ZINC000701388909 712022177 /nfs/dbraw/zinc/02/21/77/712022177.db2.gz RWHRISDTUXJBID-KWKBKKAHSA-N 0 3 248.330 0.642 20 0 BCADHN COC[C@@]1(C(=O)N[C@H]2C=CCC2)CCCCN1 ZINC000701425337 712022997 /nfs/dbraw/zinc/02/29/97/712022997.db2.gz ZKKDWAICSORALN-WCQYABFASA-N 0 3 238.331 0.980 20 0 BCADHN COC(=O)N(C)CCNCc1ccncc1 ZINC000701666686 712026479 /nfs/dbraw/zinc/02/64/79/712026479.db2.gz ATKZBSGJPXTQBY-UHFFFAOYSA-N 0 3 223.276 0.869 20 0 BCADHN CC(C)C(=O)N[C@H]1CCCCN(CCO)C1 ZINC001034110489 712040792 /nfs/dbraw/zinc/04/07/92/712040792.db2.gz YAEKHILDXDMPNO-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H](NCCS(C)(=O)=O)C1(Cl)CC1 ZINC000702258241 712042394 /nfs/dbraw/zinc/04/23/94/712042394.db2.gz LIOOPYICGDEHMY-SSDOTTSWSA-N 0 3 225.741 0.781 20 0 BCADHN C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H](N)CN(C)C)C1 ZINC000702341097 712045138 /nfs/dbraw/zinc/04/51/38/712045138.db2.gz LCOTZLGFXHWCLP-WOPDTQHZSA-N 0 3 241.379 0.912 20 0 BCADHN CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](N)CN(C)C ZINC000702349044 712045529 /nfs/dbraw/zinc/04/55/29/712045529.db2.gz BVNXRXNWIUQJSI-YATPEIPISA-N 0 3 239.363 0.665 20 0 BCADHN C[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CN(C)C)[C@H]1C ZINC000702343257 712045857 /nfs/dbraw/zinc/04/58/57/712045857.db2.gz VLDPTWBBRNLHSA-RHYQMDGZSA-N 0 3 241.379 0.816 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(CC(F)F)C1CC1 ZINC000702348564 712045862 /nfs/dbraw/zinc/04/58/62/712045862.db2.gz CRBQBTVVSKFKSK-QMMMGPOBSA-N 0 3 235.278 0.131 20 0 BCADHN CC(C)C[C@H]1CCCN1C(=O)[C@@H](N)CN(C)C ZINC000702353857 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0.389 20 0 BCADHN COC[C@H](CN[C@H]1CCC1(OC)OC)OC ZINC000710963731 712268824 /nfs/dbraw/zinc/26/88/24/712268824.db2.gz DGTHEFYJHLCDBK-UWVGGRQHSA-N 0 3 233.308 0.389 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@@H](C)C[S@](C)=O ZINC000710966326 712269824 /nfs/dbraw/zinc/26/98/24/712269824.db2.gz ZVQMQUXLOOMSIY-UTEYVOQOSA-N 0 3 235.349 0.495 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@@H](C)[C@H](CO)SC ZINC000710975830 712270976 /nfs/dbraw/zinc/27/09/76/712270976.db2.gz JUHBQPHNRHONCD-GUBZILKMSA-N 0 3 249.376 0.840 20 0 BCADHN COC1(OC)CC[C@@H]1NCCC(=O)NC(C)C ZINC000710992020 712273333 /nfs/dbraw/zinc/27/33/33/712273333.db2.gz ZYXQMCKYIDWOBB-JTQLQIEISA-N 0 3 244.335 0.642 20 0 BCADHN CCN1CC[C@H](NC(=O)N[C@@H]2COC[C@@H]2C)C1 ZINC000922907636 712285506 /nfs/dbraw/zinc/28/55/06/712285506.db2.gz JFRVLQGDJNBXCL-GARJFASQSA-N 0 3 241.335 0.415 20 0 BCADHN Nc1cnc(CN2C[C@@H]3CSC[C@@H]3C2)cn1 ZINC000711613319 712313101 /nfs/dbraw/zinc/31/31/01/712313101.db2.gz LQFHIFDSJLISRV-DTORHVGOSA-N 0 3 236.344 0.854 20 0 BCADHN CNC(=O)CCCNCc1nccn1C1CC1 ZINC000711726638 712322026 /nfs/dbraw/zinc/32/20/26/712322026.db2.gz RRXMZSXVMOKMPN-UHFFFAOYSA-N 0 3 236.319 0.834 20 0 BCADHN OCCOCCCNCc1nccn1C1CC1 ZINC000711802615 712331838 /nfs/dbraw/zinc/33/18/38/712331838.db2.gz KTQNERRVJZETAV-UHFFFAOYSA-N 0 3 239.319 0.707 20 0 BCADHN CN1CC[C@](O)(CNc2nccs2)C1 ZINC000606282024 712351469 /nfs/dbraw/zinc/35/14/69/712351469.db2.gz FUSMEPJWFDTOMW-VIFPVBQESA-N 0 3 213.306 0.622 20 0 BCADHN CCC(=O)N[C@@H]1CN(CCOC)C[C@H]1C ZINC001079326029 712347073 /nfs/dbraw/zinc/34/70/73/712347073.db2.gz WXTKXUGMPLMJSW-NXEZZACHSA-N 0 3 214.309 0.479 20 0 BCADHN COCCN1C[C@@H](C)[C@H](NC(=O)C2CCC2)C1 ZINC001079338948 712348228 /nfs/dbraw/zinc/34/82/28/712348228.db2.gz MJIOLEJSBKHZRN-ZYHUDNBSSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC001079588197 712349751 /nfs/dbraw/zinc/34/97/51/712349751.db2.gz BVFQEFKYXZPBKX-OUAUKWLOSA-N 0 3 240.347 0.461 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CC1(F)F 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C[C@H](NCCn1cnnn1)c1cccc(O)c1 ZINC000712569105 712447080 /nfs/dbraw/zinc/44/70/80/712447080.db2.gz IQPTXQGUWKKMPS-VIFPVBQESA-N 0 3 233.275 0.730 20 0 BCADHN C[C@H](NC[C@@H]1CCN1C)c1cn(C)cn1 ZINC000712567411 712447090 /nfs/dbraw/zinc/44/70/90/712447090.db2.gz XNUZLDXHOFNQNF-UWVGGRQHSA-N 0 3 208.309 0.775 20 0 BCADHN C=C/C=C\CCN1CCN(C)[C@@H](CO)C1 ZINC000713644856 712468591 /nfs/dbraw/zinc/46/85/91/712468591.db2.gz LOOJLKORNSWTJW-QMAVJUDZSA-N 0 3 210.321 0.727 20 0 BCADHN CC1(C)CCC[C@@H](CNCCS(C)(=O)=O)O1 ZINC000714386983 712487332 /nfs/dbraw/zinc/48/73/32/712487332.db2.gz USQLCMAHZANKNX-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN CN1CCC[C@@H](NC[C@H]2COC(C)(C)O2)C1=O ZINC000715066801 712505552 /nfs/dbraw/zinc/50/55/52/712505552.db2.gz QOALBTCLFURMOQ-VHSXEESVSA-N 0 3 242.319 0.348 20 0 BCADHN CN(C[C@H]1CC[C@@H](C2CC2)O1)[C@@H]1COC[C@H]1O ZINC000715401896 712516879 /nfs/dbraw/zinc/51/68/79/712516879.db2.gz KGGYQVVXTLCDHF-LPWJVIDDSA-N 0 3 241.331 0.636 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715496308 712523325 /nfs/dbraw/zinc/52/33/25/712523325.db2.gz XMENMZZZYKKLLC-YIZRAAEISA-N 0 3 230.258 0.837 20 0 BCADHN COCCN(CCO)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715539396 712526890 /nfs/dbraw/zinc/52/68/90/712526890.db2.gz RIIHKPAZOYTHFA-STQMWFEESA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CN ZINC000036999249 712528763 /nfs/dbraw/zinc/52/87/63/712528763.db2.gz NXGDNXUVDXKEJI-SECBINFHSA-N 0 3 224.308 0.373 20 0 BCADHN C[C@H](CCO)CCN[C@@H](C)c1cn(C)nn1 ZINC000715854587 712536682 /nfs/dbraw/zinc/53/66/82/712536682.db2.gz VPIVWDUHSWVOPU-UWVGGRQHSA-N 0 3 226.324 0.874 20 0 BCADHN Cc1nccn1CCN[C@@H](C)c1cn(C)nn1 ZINC000715858033 712537398 /nfs/dbraw/zinc/53/73/98/712537398.db2.gz JXZQWOJBKHZPHF-VIFPVBQESA-N 0 3 234.307 0.671 20 0 BCADHN C[C@@H](N[C@@H](C)c1cn(C)nn1)[C@@H]1CCOC1 ZINC000715882280 712539862 /nfs/dbraw/zinc/53/98/62/712539862.db2.gz KVKUEMHZTKKADU-KXUCPTDWSA-N 0 3 224.308 0.891 20 0 BCADHN C[C@H](N[C@H]1CCOC[C@H]1C)c1cn(C)nn1 ZINC000715906653 712541834 /nfs/dbraw/zinc/54/18/34/712541834.db2.gz DOVNFOVBQFAAAL-UTLUCORTSA-N 0 3 224.308 0.891 20 0 BCADHN CCCN1CC[C@H](N[C@H](C)c2cn(C)nn2)C1 ZINC000715927358 712543228 /nfs/dbraw/zinc/54/32/28/712543228.db2.gz JZVYNOOSJRJOOK-MNOVXSKESA-N 0 3 237.351 0.950 20 0 BCADHN CC(C)(O)C1CCN([C@H]2CCCNC2=O)CC1 ZINC000716399614 712558513 /nfs/dbraw/zinc/55/85/13/712558513.db2.gz SGHGGLFONCGZMS-NSHDSACASA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NC[C@H]1CNCCO1 ZINC000716448008 712561657 /nfs/dbraw/zinc/56/16/57/712561657.db2.gz SZVHQNPPQGVZLI-GCHJQGSQSA-N 0 3 238.331 0.383 20 0 BCADHN C/C=C/C=C/C(=O)N[C@@H](CO)CN(C)C ZINC000716784606 712573636 /nfs/dbraw/zinc/57/36/36/712573636.db2.gz GGWZHQZLBYWXFK-ZVEBZHOTSA-N 0 3 212.293 0.157 20 0 BCADHN C/C=C/C=C\C(=O)N[C@@H](CO)CN(C)C ZINC000716784603 712573647 /nfs/dbraw/zinc/57/36/47/712573647.db2.gz GGWZHQZLBYWXFK-DRPLVDAUSA-N 0 3 212.293 0.157 20 0 BCADHN CN1CCC(C(=O)NC2CC(=O)C2)CC1 ZINC000717005048 712604143 /nfs/dbraw/zinc/60/41/43/712604143.db2.gz LMIHHTUQCUCXBL-UHFFFAOYSA-N 0 3 210.277 0.176 20 0 BCADHN CC(=O)C[C@H](C)NC(=O)C12CCN(CC1)C2 ZINC000717013234 712604616 /nfs/dbraw/zinc/60/46/16/712604616.db2.gz VXXLQIIWHXFYCR-VIFPVBQESA-N 0 3 224.304 0.566 20 0 BCADHN CCCCOC(=O)CCN1CC=C[C@H]1CO ZINC000880484161 712633465 /nfs/dbraw/zinc/63/34/65/712633465.db2.gz MGPYQVQMFGZIGW-NSHDSACASA-N 0 3 227.304 0.953 20 0 BCADHN CC(C)OC(=O)CNC(=O)[C@H](C(C)C)N(C)C ZINC000132946452 712639625 /nfs/dbraw/zinc/63/96/25/712639625.db2.gz RRDXFXABSHEHFQ-NSHDSACASA-N 0 3 244.335 0.640 20 0 BCADHN COc1cccc(CNC[C@H](O)[C@@H](C)O)c1 ZINC000717308890 712646347 /nfs/dbraw/zinc/64/63/47/712646347.db2.gz RAKLDFWPWXXPCM-SKDRFNHKSA-N 0 3 225.288 0.527 20 0 BCADHN Cc1cc(CNC[C@H](O)[C@@H](C)O)cs1 ZINC000717424493 712658141 /nfs/dbraw/zinc/65/81/41/712658141.db2.gz XBWNGLRYEOSGGW-SCZZXKLOSA-N 0 3 215.318 0.888 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H]1CC(C)(C)CO1 ZINC000717620906 712662745 /nfs/dbraw/zinc/66/27/45/712662745.db2.gz XTPQTGRYSDQVGI-RKDXNWHRSA-N 0 3 214.309 0.655 20 0 BCADHN COC1(OC)CC[C@H]1N[C@H](CO)CC(F)F ZINC000717707963 712664276 /nfs/dbraw/zinc/66/42/76/712664276.db2.gz PHSITLDPJPEZSI-JGVFFNPUSA-N 0 3 239.262 0.744 20 0 BCADHN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccns1 ZINC000717737828 712669190 /nfs/dbraw/zinc/66/91/90/712669190.db2.gz WFWSSFBHAUHYPE-ZETCQYMHSA-N 0 3 249.361 0.405 20 0 BCADHN [NH3+][C@@H](C[N-]S(=O)(=O)c1ccns1)C1CC1 ZINC000717735047 712669195 /nfs/dbraw/zinc/66/91/95/712669195.db2.gz DNPNFIVOQVBRPZ-ZETCQYMHSA-N 0 3 247.345 0.159 20 0 BCADHN C[C@H](CCCO)NC(=O)[C@H](N)CC1CC1 ZINC000380008554 712669654 /nfs/dbraw/zinc/66/96/54/712669654.db2.gz LQAKWBKAWNONBB-PSASIEDQSA-N 0 3 214.309 0.391 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1CCCOCC1 ZINC000380015166 712670031 /nfs/dbraw/zinc/67/00/31/712670031.db2.gz MWYSWXRVRWOKMF-JTQLQIEISA-N 0 3 212.293 0.363 20 0 BCADHN CN(C)c1noc([C@H]2CNCCC2(F)F)n1 ZINC000717868004 712695486 /nfs/dbraw/zinc/69/54/86/712695486.db2.gz BMEIHOIGELKWFG-ZCFIWIBFSA-N 0 3 232.234 0.848 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@@H](N)CC ZINC000159219366 712722750 /nfs/dbraw/zinc/72/27/50/712722750.db2.gz DVLICJXDFVEPSH-QMMMGPOBSA-N 0 3 216.281 0.183 20 0 BCADHN Cc1coc(CNC[C@@]2(O)CCOC2)c1 ZINC000718115038 712744267 /nfs/dbraw/zinc/74/42/67/712744267.db2.gz PJBCLSAHERIWEP-NSHDSACASA-N 0 3 211.261 0.829 20 0 BCADHN C[C@@H](NCCS(C)(=O)=O)[C@@H]1CCCO1 ZINC000037743431 712754152 /nfs/dbraw/zinc/75/41/52/712754152.db2.gz UZBHCXAVPSHDRS-BDAKNGLRSA-N 0 3 221.322 0.188 20 0 BCADHN OCc1cnccc1N1C[C@@H]2COC[C@@H]2C1 ZINC000718331228 712755373 /nfs/dbraw/zinc/75/53/73/712755373.db2.gz JQHHZQMOCFSZCT-PHIMTYICSA-N 0 3 220.272 0.657 20 0 BCADHN Cc1coc(C(=O)N[C@H](CO)CN(C)C)c1 ZINC000718400886 712758691 /nfs/dbraw/zinc/75/86/91/712758691.db2.gz WXIHQNHDRDIKLB-VIFPVBQESA-N 0 3 226.276 0.240 20 0 BCADHN CC(C)OC[C@@H](O)CNCc1cccnc1 ZINC000037850891 712775406 /nfs/dbraw/zinc/77/54/06/712775406.db2.gz VQOBNURSQKAALO-LBPRGKRZSA-N 0 3 224.304 0.957 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](C2OCCO2)C1 ZINC000718989789 712792847 /nfs/dbraw/zinc/79/28/47/712792847.db2.gz SZKVJUWKLJVJKZ-JTQLQIEISA-N 0 3 242.319 0.160 20 0 BCADHN Cc1nccnc1CN1CC[C@H](C2OCCO2)C1 ZINC000719097004 712797175 /nfs/dbraw/zinc/79/71/75/712797175.db2.gz DJKKPKKCZNRZNG-NSHDSACASA-N 0 3 249.314 0.980 20 0 BCADHN Cc1ccc(NC(=O)c2c(CN)cnn2C)cn1 ZINC000719244139 712801124 /nfs/dbraw/zinc/80/11/24/712801124.db2.gz HETNFZHZSWFIHX-UHFFFAOYSA-N 0 3 245.286 0.835 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C ZINC000719340595 712804531 /nfs/dbraw/zinc/80/45/31/712804531.db2.gz FAEISDARYKKZFX-WCBMZHEXSA-N 0 3 235.287 0.610 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C ZINC000719340587 712804926 /nfs/dbraw/zinc/80/49/26/712804926.db2.gz FAEISDARYKKZFX-PSASIEDQSA-N 0 3 235.287 0.610 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2ccn(C)c(=O)c2)CCN1C ZINC000719348106 712805305 /nfs/dbraw/zinc/80/53/05/712805305.db2.gz YSUWQIYZJDQGQR-GXSJLCMTSA-N 0 3 249.314 0.208 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2ccn(C)c(=O)c2)CCN1C ZINC000719348113 712805504 /nfs/dbraw/zinc/80/55/04/712805504.db2.gz YSUWQIYZJDQGQR-ONGXEEELSA-N 0 3 249.314 0.208 20 0 BCADHN CCNC(=S)N[C@@H]1CCN(C)[C@H]1C ZINC000719367724 712806009 /nfs/dbraw/zinc/80/60/09/712806009.db2.gz SNUIZXGUWIJITD-JGVFFNPUSA-N 0 3 201.339 0.563 20 0 BCADHN CCCOCC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000719434496 712807668 /nfs/dbraw/zinc/80/76/68/712807668.db2.gz JOZUEVONJMMVPQ-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CNc1cnc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cn1 ZINC000719489192 712808654 /nfs/dbraw/zinc/80/86/54/712808654.db2.gz FWYQZGNZCULMNS-DTWKUNHWSA-N 0 3 249.318 0.341 20 0 BCADHN COc1ccnc(N[C@@H]2CCN(C)[C@@H]2C)n1 ZINC000719570615 712811010 /nfs/dbraw/zinc/81/10/10/712811010.db2.gz PALSNHOHRAUXMF-RKDXNWHRSA-N 0 3 222.292 0.990 20 0 BCADHN CC(C)(O)[C@@H]1CCCN(CC(=O)NC2CC2)C1 ZINC000719639614 712814648 /nfs/dbraw/zinc/81/46/48/712814648.db2.gz CCYMACKITBSQGW-SNVBAGLBSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H]1[C@@H](Nc2nccn(C)c2=O)CCN1C ZINC000719603289 712815996 /nfs/dbraw/zinc/81/59/96/712815996.db2.gz SCQYUUOSIBTHHN-IUCAKERBSA-N 0 3 222.292 0.285 20 0 BCADHN Cc1nnc(N[C@@H]2CCN(C)[C@@H]2C)nc1C ZINC000719603736 712816088 /nfs/dbraw/zinc/81/60/88/712816088.db2.gz SLBZJMMKSOHQDQ-NXEZZACHSA-N 0 3 221.308 0.993 20 0 BCADHN C[C@H]1[C@H](NCc2ccn(C)n2)CCN1C ZINC000719647123 712820165 /nfs/dbraw/zinc/82/01/65/712820165.db2.gz ZCVARXBFHGPRFT-GXSJLCMTSA-N 0 3 208.309 0.602 20 0 BCADHN CCNC(=O)CN1CCC[C@H](C(C)(C)O)C1 ZINC000719701738 712822192 /nfs/dbraw/zinc/82/21/92/712822192.db2.gz NKDHWKRAERDAHV-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CN1C[C@@H](NCc2ccc(O)c(F)c2)CC1=O ZINC000380230630 712834455 /nfs/dbraw/zinc/83/44/55/712834455.db2.gz QQPXONFTBKDVRE-VIFPVBQESA-N 0 3 238.262 0.852 20 0 BCADHN COC(CN1CCC[C@@H](C(C)=O)C1)OC ZINC000722091552 712835205 /nfs/dbraw/zinc/83/52/05/712835205.db2.gz NEDPSQJFQRECJI-SNVBAGLBSA-N 0 3 215.293 0.906 20 0 BCADHN COCCN(CCO)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720566053 712851280 /nfs/dbraw/zinc/85/12/80/712851280.db2.gz KDPIIRQJAFTWHQ-RWMBFGLXSA-N 0 3 243.347 0.885 20 0 BCADHN Cc1cc(CN2CC[C@H](CO)C2)c(C)nn1 ZINC000720582644 712854593 /nfs/dbraw/zinc/85/45/93/712854593.db2.gz NJNLARPMHXYOIZ-NSHDSACASA-N 0 3 221.304 0.908 20 0 BCADHN C[C@@H](NCCCc1cnn(C)c1)c1cn(C)nn1 ZINC000720614401 712859290 /nfs/dbraw/zinc/85/92/90/712859290.db2.gz LZMNHXKDRWKSCG-SNVBAGLBSA-N 0 3 248.334 0.832 20 0 BCADHN C[C@@H]1Cc2cc(CNC[C@@H](O)CO)ccc2O1 ZINC000720790314 712865807 /nfs/dbraw/zinc/86/58/07/712865807.db2.gz KXBMIPBKJADFIP-BXKDBHETSA-N 0 3 237.299 0.453 20 0 BCADHN CS(=O)(=O)CCNC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720821476 712868766 /nfs/dbraw/zinc/86/87/66/712868766.db2.gz PAUDDZODKHDXBF-GARJFASQSA-N 0 3 247.360 0.578 20 0 BCADHN Cn1nncc1CNC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720861490 712870932 /nfs/dbraw/zinc/87/09/32/712870932.db2.gz NXMWMSIUMYYYHK-DLOVCJGASA-N 0 3 236.319 0.862 20 0 BCADHN COCC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720878299 712872866 /nfs/dbraw/zinc/87/28/66/712872866.db2.gz QBBDACHECBHAIO-VHSXEESVSA-N 0 3 212.293 0.328 20 0 BCADHN C[C@H](NC[C@H]1C[C@H](O)C1)c1nccn1C ZINC000720958306 712882890 /nfs/dbraw/zinc/88/28/90/712882890.db2.gz XRJWYKXBTVHHJC-GUBZILKMSA-N 0 3 209.293 0.842 20 0 BCADHN Cn1ncc(CNC[C@H]2C[C@@H](O)C2)c1Cl ZINC000720970967 712884561 /nfs/dbraw/zinc/88/45/61/712884561.db2.gz SHGWHMPYVOYDDQ-OTSSQURYSA-N 0 3 229.711 0.934 20 0 BCADHN CO[C@H](C)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000721059102 712889183 /nfs/dbraw/zinc/88/91/83/712889183.db2.gz VSDZALDMJQPFEF-MFKMUULPSA-N 0 3 248.326 0.852 20 0 BCADHN CNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000721136400 712892068 /nfs/dbraw/zinc/89/20/68/712892068.db2.gz SZPAEDYTRRDLSW-LLVKDONJSA-N 0 3 219.288 0.630 20 0 BCADHN C[C@@H]1CN(c2cccc(C(N)=O)n2)[C@H](C)CN1C ZINC001164633113 719217086 /nfs/dbraw/zinc/21/70/86/719217086.db2.gz DDESXUOZQNAJHC-NXEZZACHSA-N 0 3 248.330 0.709 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2ccncn2)C1 ZINC000547978320 398136035 /nfs/dbraw/zinc/13/60/35/398136035.db2.gz FKJRFDOUGBPJQT-SNVBAGLBSA-N 0 3 234.303 0.548 20 0 BCADHN CN(CC(N)=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268505744 398138071 /nfs/dbraw/zinc/13/80/71/398138071.db2.gz BFOWFZXAOFPCEF-CYBMUJFWSA-N 0 3 247.342 0.678 20 0 BCADHN COCCN1CCN(C[C@H](C)O)C(C)(C)C1 ZINC000649850851 398139455 /nfs/dbraw/zinc/13/94/55/398139455.db2.gz CMFXXTQMIMPTKH-NSHDSACASA-N 0 3 230.352 0.410 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000638695666 352533525 /nfs/dbraw/zinc/53/35/25/352533525.db2.gz QDCNCHABYHCKLL-DCAQKATOSA-N 0 3 226.320 0.653 20 0 BCADHN CC(C)(C)C(=O)NC[C@H]1CNCCO1 ZINC000036284937 343977459 /nfs/dbraw/zinc/97/74/59/343977459.db2.gz RCYMVEJVFVVHAS-MRVPVSSYSA-N 0 3 200.282 0.137 20 0 BCADHN CCOC[C@@H](C)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000378689397 346809370 /nfs/dbraw/zinc/80/93/70/346809370.db2.gz HKTMLRBSGNAOLC-IVZWLZJFSA-N 0 3 235.349 0.434 20 0 BCADHN C[C@@H](CCO)NC(=O)NC1CCN(C)CC1 ZINC000408209333 136212423 /nfs/dbraw/zinc/21/24/23/136212423.db2.gz ZTDCKKRFSYCIPM-VIFPVBQESA-N 0 3 229.324 0.151 20 0 BCADHN Cc1cocc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000626248385 349471787 /nfs/dbraw/zinc/47/17/87/349471787.db2.gz JVCGDGAUYFGTGX-GFCCVEGCSA-N 0 3 240.303 0.630 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000153239123 136212802 /nfs/dbraw/zinc/21/28/02/136212802.db2.gz PXVOZVYZVUQVSD-GHMZBOCLSA-N 0 3 227.352 0.535 20 0 BCADHN COC[C@H](N[C@@H](C)C(=O)NC(C)C)C1CC1 ZINC000161715151 349489556 /nfs/dbraw/zinc/48/95/56/349489556.db2.gz RCXOSWVSLOPNLZ-ONGXEEELSA-N 0 3 228.336 0.914 20 0 BCADHN CCC(CC)(CN[C@@H]1COC[C@@H]1O)C(=O)OC ZINC000361329114 168327047 /nfs/dbraw/zinc/32/70/47/168327047.db2.gz WDEDLESCBYRIRS-ZJUUUORDSA-N 0 3 245.319 0.315 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](C)N)C[C@H](C)O1 ZINC000155633661 136213241 /nfs/dbraw/zinc/21/32/41/136213241.db2.gz DOYUPKHXYCNGCM-XHNCKOQMSA-N 0 3 200.282 0.360 20 0 BCADHN CCC(CC)(NC(=O)CNC)C(=O)OC ZINC000309509421 168329903 /nfs/dbraw/zinc/32/99/03/168329903.db2.gz OPPZSSHMTFLKRA-UHFFFAOYSA-N 0 3 216.281 0.054 20 0 BCADHN CC/C=C(\C)C(=O)NCCNCCOC ZINC000271028029 398144336 /nfs/dbraw/zinc/14/43/36/398144336.db2.gz BMFDNJAVZLEUHP-BJMVGYQFSA-N 0 3 214.309 0.695 20 0 BCADHN CN(CC1(O)CCCC1)[C@@H]1CCN(C)C1=O ZINC000162079060 538920722 /nfs/dbraw/zinc/92/07/22/538920722.db2.gz ASMJUCOKTSJJPW-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN CC1(C(=O)Nc2ccccc2[O-])C[NH2+]C1 ZINC000335020659 136214742 /nfs/dbraw/zinc/21/47/42/136214742.db2.gz LNKYTTWOWVGJCE-UHFFFAOYSA-N 0 3 206.245 0.940 20 0 BCADHN CCN(CC)CC(=O)NCCCn1ccnc1 ZINC000299228777 398149734 /nfs/dbraw/zinc/14/97/34/398149734.db2.gz PUONXPAPXQLBDL-UHFFFAOYSA-N 0 3 238.335 0.731 20 0 BCADHN Cc1cc(CN2C[C@@H](C)[C@H](CO)C2)ncn1 ZINC000292828141 178005961 /nfs/dbraw/zinc/00/59/61/178005961.db2.gz MMVVEQNENJJVHQ-KOLCDFICSA-N 0 3 221.304 0.845 20 0 BCADHN Cc1nn(C)cc1CN(C)[C@H](C)CCO ZINC000649870885 398152475 /nfs/dbraw/zinc/15/24/75/398152475.db2.gz MFKSAWMSFYYGPL-SECBINFHSA-N 0 3 211.309 0.931 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1ccc(=O)[nH]c1 ZINC000649337101 398152471 /nfs/dbraw/zinc/15/24/71/398152471.db2.gz BZSILHZXXVMESN-SNVBAGLBSA-N 0 3 235.287 0.401 20 0 BCADHN Cc1cc(CN2C[C@H](O)[C@@H](O)C2)c(C)s1 ZINC000278813763 178008077 /nfs/dbraw/zinc/00/80/77/178008077.db2.gz PHAOILLEBLHFBH-QWRGUYRKSA-N 0 3 227.329 0.902 20 0 BCADHN C[C@@H](N(C)C(=O)CN1CCNCC1)C1(C)CC1 ZINC000385388850 398159510 /nfs/dbraw/zinc/15/95/10/398159510.db2.gz BGUZAEPNMKLUKC-LLVKDONJSA-N 0 3 239.363 0.539 20 0 BCADHN Cc1cc(CNC(=O)[C@@H]2C[C@@H](C)CCN2)on1 ZINC000127061251 178014371 /nfs/dbraw/zinc/01/43/71/178014371.db2.gz IIRGXDDHBKBIGR-KWQFWETISA-N 0 3 237.303 0.987 20 0 BCADHN C[C@@H](CCO)N(C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000649869458 398155867 /nfs/dbraw/zinc/15/58/67/398155867.db2.gz FBOMBTCJHDAXGF-RWMBFGLXSA-N 0 3 242.363 0.552 20 0 BCADHN CC(=O)[C@@](C)(O)CN(C)C[C@@H](O)C1CC1 ZINC000649342509 398159737 /nfs/dbraw/zinc/15/97/37/398159737.db2.gz SFWDKEXEXWFEIH-MNOVXSKESA-N 0 3 215.293 0.029 20 0 BCADHN CC1(C)CN(C[C@@H]2CCOC2)[C@@H]2COC[C@H]2O1 ZINC000649910355 398182897 /nfs/dbraw/zinc/18/28/97/398182897.db2.gz NXFWKLRHWKACHS-QJPTWQEYSA-N 0 3 241.331 0.901 20 0 BCADHN CC[C@H](N)C(=O)NCc1nnc2ccccn21 ZINC000040828006 398168566 /nfs/dbraw/zinc/16/85/66/398168566.db2.gz BECCNIQBYOVRHG-QMMMGPOBSA-N 0 3 233.275 0.083 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1nnc2ccccn21 ZINC000040827925 398168622 /nfs/dbraw/zinc/16/86/22/398168622.db2.gz FVPHKKFRCIFPMK-LLVKDONJSA-N 0 3 247.302 0.329 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]([NH3+])C2)o1 ZINC000390268512 398169015 /nfs/dbraw/zinc/16/90/15/398169015.db2.gz QUBFUSQOJKAENV-OCAPTIKFSA-N 0 3 230.289 0.356 20 0 BCADHN CNC(=O)[C@H]1CCCN(CC2(F)CC2)C1 ZINC000527510356 398170039 /nfs/dbraw/zinc/17/00/39/398170039.db2.gz CFRZYMKCZNVLLT-VIFPVBQESA-N 0 3 214.284 0.947 20 0 BCADHN Cc1cc(CN[C@@H](C)CC(=O)N(C)C)n(C)n1 ZINC000284272154 178028725 /nfs/dbraw/zinc/02/87/25/178028725.db2.gz JKLBFUQKLLUJST-VIFPVBQESA-N 0 3 238.335 0.685 20 0 BCADHN CN(C[C@@H]1CCCO1)C(=O)C(C)(C)N ZINC000042465715 398172266 /nfs/dbraw/zinc/17/22/66/398172266.db2.gz GVQJELRRVBOKFJ-QMMMGPOBSA-N 0 3 200.282 0.361 20 0 BCADHN CC[C@H]1CN(CCN2CCCC2=O)C[C@@H]1O ZINC000341031449 398183146 /nfs/dbraw/zinc/18/31/46/398183146.db2.gz VWJVFWBADOTDOC-QWRGUYRKSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@H](O)CCN1CCC[C@@]12CCNC2=O ZINC000576238122 365525390 /nfs/dbraw/zinc/52/53/90/365525390.db2.gz VCQVCBPUJCTJBQ-ONGXEEELSA-N 0 3 212.293 0.112 20 0 BCADHN CC[C@H](C)N(C)C(=O)C(C)S(C)(=O)=O ZINC000112787350 136216290 /nfs/dbraw/zinc/21/62/90/136216290.db2.gz RXNZPJBBVYHTMV-JGVFFNPUSA-N 0 3 221.322 0.676 20 0 BCADHN Cc1cc(CN[C@H]2CCCOC2)n(C)n1 ZINC000084244555 178040095 /nfs/dbraw/zinc/04/00/95/178040095.db2.gz TTXCQRRAWWESSU-JTQLQIEISA-N 0 3 209.293 0.997 20 0 BCADHN COC(=O)c1cc(CN[C@@H]2CC[C@H]2O)cn1C ZINC000424204398 398174913 /nfs/dbraw/zinc/17/49/13/398174913.db2.gz SOOVALPGOLKDRD-MWLCHTKSSA-N 0 3 238.287 0.425 20 0 BCADHN Cc1cc(CN[C@H]2CN(C)C[C@H]2C)n(C)n1 ZINC000309405743 178041430 /nfs/dbraw/zinc/04/14/30/178041430.db2.gz HYSCPRAGWUMQIT-SKDRFNHKSA-N 0 3 222.336 0.768 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@]2(CC2(F)F)C1 ZINC000649903001 398176190 /nfs/dbraw/zinc/17/61/90/398176190.db2.gz IVXOJXNYDXQSFB-CBAPKCEASA-N 0 3 218.247 0.981 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000649903002 398176792 /nfs/dbraw/zinc/17/67/92/398176792.db2.gz IVXOJXNYDXQSFB-IONNQARKSA-N 0 3 218.247 0.981 20 0 BCADHN OCCOCCN1CC[C@]2(CC2(F)F)C1 ZINC000649905115 398178572 /nfs/dbraw/zinc/17/85/72/398178572.db2.gz TWORMILQNIBTJU-VIFPVBQESA-N 0 3 221.247 0.726 20 0 BCADHN Cc1cc(C[C@@H](C)NC(=O)[C@H](N)C(C)C)[nH]n1 ZINC000291957511 178054186 /nfs/dbraw/zinc/05/41/86/178054186.db2.gz FJGSBFOYMFXHLG-LDYMZIIASA-N 0 3 238.335 0.749 20 0 BCADHN Cc1cc(C[C@H](C)NC(=O)[C@@H](N)C(C)C)[nH]n1 ZINC000236777505 178056398 /nfs/dbraw/zinc/05/63/98/178056398.db2.gz FJGSBFOYMFXHLG-KWQFWETISA-N 0 3 238.335 0.749 20 0 BCADHN Cc1cc(C[C@H](C)NC(=O)C2(N)CC2)[nH]n1 ZINC000353181627 178056854 /nfs/dbraw/zinc/05/68/54/178056854.db2.gz IGCQMTDBGWYJSE-ZETCQYMHSA-N 0 3 222.292 0.257 20 0 BCADHN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)CN ZINC000649348649 398162355 /nfs/dbraw/zinc/16/23/55/398162355.db2.gz PVDKZZOVDMONNL-JTQLQIEISA-N 0 3 222.292 0.351 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@H]1CC1(C)C ZINC000423023420 398163222 /nfs/dbraw/zinc/16/32/22/398163222.db2.gz HJVKOELJAFUYGN-KXUCPTDWSA-N 0 3 226.320 0.668 20 0 BCADHN CN(CCN1CCCCC1)Cc1nccc(N)n1 ZINC000649888792 398166212 /nfs/dbraw/zinc/16/62/12/398166212.db2.gz HMKKHXIUSOGXNN-UHFFFAOYSA-N 0 3 249.362 0.807 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000083884449 398188077 /nfs/dbraw/zinc/18/80/77/398188077.db2.gz HSJMWEFDOVVKJZ-ZCFIWIBFSA-N 0 3 235.243 0.303 20 0 BCADHN Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@@H](O)CN1 ZINC000020434389 178087817 /nfs/dbraw/zinc/08/78/17/178087817.db2.gz CCQJVBYIXPKYJY-KOLCDFICSA-N 0 3 238.262 0.795 20 0 BCADHN C[C@]1(CO)CCC[C@H]1N[C@@H]1CCNC1=O ZINC000309140684 136217743 /nfs/dbraw/zinc/21/77/43/136217743.db2.gz SXVJKZMPXYXPJP-FXPVBKGRSA-N 0 3 212.293 0.016 20 0 BCADHN C[C@H]1NCCN(C(=O)[C@@H]2CCCO2)[C@H]1C ZINC000071518543 398193076 /nfs/dbraw/zinc/19/30/76/398193076.db2.gz XWCYLNRQZIGGHM-UTLUCORTSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@H](NCc1nnnn1C)C1CCCC1 ZINC000309117860 136217806 /nfs/dbraw/zinc/21/78/06/136217806.db2.gz MJHFGKINXKOCJM-QMMMGPOBSA-N 0 3 209.297 0.878 20 0 BCADHN CCC[C@H](CN[C@@H]1CCC(=O)N(C)C1=O)OC ZINC000386107259 398196634 /nfs/dbraw/zinc/19/66/34/398196634.db2.gz KULBIJXLBGWESY-NXEZZACHSA-N 0 3 242.319 0.539 20 0 BCADHN Cn1cc([C@H]2CN(CCO)CC2(C)C)cn1 ZINC000580272480 346818628 /nfs/dbraw/zinc/81/86/28/346818628.db2.gz GXPKRYHTXCHZBS-LLVKDONJSA-N 0 3 223.320 0.838 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCC1(O)CCCC1 ZINC000162258403 538921976 /nfs/dbraw/zinc/92/19/76/538921976.db2.gz DMAGQRPYOMCYKP-SNVBAGLBSA-N 0 3 249.376 0.704 20 0 BCADHN Cc1cc(N)nc(NC[C@H]2CCCO2)n1 ZINC000058824254 178110213 /nfs/dbraw/zinc/11/02/13/178110213.db2.gz CBJVPGBNXTYEAT-MRVPVSSYSA-N 0 3 208.265 0.958 20 0 BCADHN C[C@H](C(=O)NC[C@H]1CNCCO1)c1ccccc1 ZINC000235428031 398185108 /nfs/dbraw/zinc/18/51/08/398185108.db2.gz BFVADHVJBZUWLT-WCQYABFASA-N 0 3 248.326 0.895 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000576293473 365556185 /nfs/dbraw/zinc/55/61/85/365556185.db2.gz YGWLHTHXAGVZFY-WCQGTBRESA-N 0 3 240.347 0.914 20 0 BCADHN CC[C@@H](O)CNC(=O)NCCN(CC)C1CC1 ZINC000645247794 398201553 /nfs/dbraw/zinc/20/15/53/398201553.db2.gz QEUSUWNFKJKKMY-LLVKDONJSA-N 0 3 243.351 0.541 20 0 BCADHN Cc1cc(N2CC[C@H](NC(C)C)C2=O)n(C)n1 ZINC000173787945 178119106 /nfs/dbraw/zinc/11/91/06/178119106.db2.gz PXJGKQGYBHEHSC-JTQLQIEISA-N 0 3 236.319 0.832 20 0 BCADHN CCO[C@@H]1C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC000576303256 365559727 /nfs/dbraw/zinc/55/97/27/365559727.db2.gz YRRWGPKSBSEDGD-GMTAPVOTSA-N 0 3 228.336 0.866 20 0 BCADHN CCc1nn(C)cc1CNC[C@H](O)C1CC1 ZINC000162717473 538924410 /nfs/dbraw/zinc/92/44/10/538924410.db2.gz TUZNOHCAXFHXAX-LBPRGKRZSA-N 0 3 223.320 0.843 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(CCn2ccccc2=O)C1 ZINC000162825165 538925131 /nfs/dbraw/zinc/92/51/31/538925131.db2.gz QLAJTELGYMRZSV-VXGBXAGGSA-N 0 3 236.315 0.551 20 0 BCADHN COC[C@H](N[C@@H](C)CC(N)=O)[C@@H]1CCCO1 ZINC000336752590 398204818 /nfs/dbraw/zinc/20/48/18/398204818.db2.gz DLQLEVWIZQNUGW-GUBZILKMSA-N 0 3 230.308 0.034 20 0 BCADHN Cc1cc(NC(=O)[C@@H](C)NC2CC2)cn(C)c1=O ZINC000576277698 365546296 /nfs/dbraw/zinc/54/62/96/365546296.db2.gz NLLOVOAOWGJCHS-SECBINFHSA-N 0 3 249.314 0.773 20 0 BCADHN CC(C)[C@H](CO)NCc1cnc(N(C)C)n1C ZINC000092393752 398205028 /nfs/dbraw/zinc/20/50/28/398205028.db2.gz OJDCFLOOLAHAPB-NSHDSACASA-N 0 3 240.351 0.593 20 0 BCADHN Cc1cc(NC(=O)[C@H](C)NC2CC2)cn(C)c1=O ZINC000576277699 365547009 /nfs/dbraw/zinc/54/70/09/365547009.db2.gz NLLOVOAOWGJCHS-VIFPVBQESA-N 0 3 249.314 0.773 20 0 BCADHN CN1CCC[C@@H]1CN1C[C@@H](CO)OC(C)(C)C1 ZINC000386327826 398205960 /nfs/dbraw/zinc/20/59/60/398205960.db2.gz OYPILGVNTOBAMY-NEPJUHHUSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCCN2C)C[C@H](CO)O1 ZINC000386320348 398206000 /nfs/dbraw/zinc/20/60/00/398206000.db2.gz NIUJYGXVZRBZIM-IJLUTSLNSA-N 0 3 228.336 0.162 20 0 BCADHN Cc1cc(NC(=O)CN[C@@H](C)[C@H](C)CO)no1 ZINC000274035470 178132138 /nfs/dbraw/zinc/13/21/38/178132138.db2.gz OBGPIPXRNTWYEK-APPZFPTMSA-N 0 3 241.291 0.528 20 0 BCADHN Cc1cc(NC(=O)C[C@@H]2CNCCO2)ccn1 ZINC000092349845 178133858 /nfs/dbraw/zinc/13/38/58/178133858.db2.gz YDXLTLWIFNRYNF-LLVKDONJSA-N 0 3 235.287 0.707 20 0 BCADHN C[C@H]1[C@H](C)N(CCn2ccnc2)CCN1C ZINC000334453028 398208071 /nfs/dbraw/zinc/20/80/71/398208071.db2.gz ZVJXUHMWMGFFQH-RYUDHWBXSA-N 0 3 222.336 0.908 20 0 BCADHN COC[C@@](C)(CCO)NCCOCC1CC1 ZINC000085903975 398214779 /nfs/dbraw/zinc/21/47/79/398214779.db2.gz MMPZXMWEPWKJSS-GFCCVEGCSA-N 0 3 231.336 0.790 20 0 BCADHN C[C@@H]1CCN(C[C@H]2CCOC2)[C@@H](C(N)=O)C1 ZINC000426207848 398215784 /nfs/dbraw/zinc/21/57/84/398215784.db2.gz YFWJWOFZXQFBQP-GMTAPVOTSA-N 0 3 226.320 0.609 20 0 BCADHN Cc1cc(NC(N)=O)n(C2CCN(C)CC2)n1 ZINC000336521463 178152691 /nfs/dbraw/zinc/15/26/91/178152691.db2.gz KNGVKZNKXAPOFY-UHFFFAOYSA-N 0 3 237.307 0.949 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC ZINC000576360576 365578491 /nfs/dbraw/zinc/57/84/91/365578491.db2.gz VELFPXBJLOVFQV-CIUDSAMLSA-N 0 3 229.324 0.014 20 0 BCADHN C[C@H]1CCN(CC(=O)NC2(CCO)CC2)C1 ZINC000576361818 365578633 /nfs/dbraw/zinc/57/86/33/365578633.db2.gz XTYVDRYNXBPZSE-JTQLQIEISA-N 0 3 226.320 0.359 20 0 BCADHN Cc1cc(NC2CCN(C)CC2)n2ncnc2n1 ZINC000035121579 178154525 /nfs/dbraw/zinc/15/45/25/178154525.db2.gz QQVWJQCHFCDTJQ-UHFFFAOYSA-N 0 3 246.318 0.939 20 0 BCADHN CCC[C@@H](CNC[C@H]1CCCS1(=O)=O)OC ZINC000386453007 398210325 /nfs/dbraw/zinc/21/03/25/398210325.db2.gz OFWUVQGXYTZEKP-WDEREUQCSA-N 0 3 249.376 0.968 20 0 BCADHN Cc1cc(NCCN(C)C2CC2)n2ncnc2n1 ZINC000059035215 178160550 /nfs/dbraw/zinc/16/05/50/178160550.db2.gz AMCXGYIUWGFKGQ-UHFFFAOYSA-N 0 3 246.318 0.939 20 0 BCADHN CO[C@H](CN1CCO[C@@]2(CCOC2)C1)C1CC1 ZINC000425430000 398224775 /nfs/dbraw/zinc/22/47/75/398224775.db2.gz CKCMIXSBPSQXKH-OLZOCXBDSA-N 0 3 241.331 0.903 20 0 BCADHN Cc1nnsc1CNCCCn1cncn1 ZINC000381110957 398221258 /nfs/dbraw/zinc/22/12/58/398221258.db2.gz CBCHJDRVVMQWCS-UHFFFAOYSA-N 0 3 238.320 0.618 20 0 BCADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CN(C)C ZINC000175774500 365594125 /nfs/dbraw/zinc/59/41/25/365594125.db2.gz SRAKONJUVDDNTO-QWRGUYRKSA-N 0 3 227.352 0.347 20 0 BCADHN c1coc(CN[C@H]2CCc3nnnn3CC2)c1 ZINC000421392048 192327970 /nfs/dbraw/zinc/32/79/70/192327970.db2.gz BHWGPZOGXZNCNF-VIFPVBQESA-N 0 3 233.275 0.761 20 0 BCADHN Cc1noc([C@H](C)NC(=O)NCCN(C)C)n1 ZINC000342659852 136223362 /nfs/dbraw/zinc/22/33/62/136223362.db2.gz FZLUACUBVCZKBW-ZETCQYMHSA-N 0 3 241.295 0.300 20 0 BCADHN CO[C@@H](CNC(=O)NCCN(C)C)C(C)C ZINC000342660752 136223443 /nfs/dbraw/zinc/22/34/43/136223443.db2.gz KNVAMPSVWVEJIO-JTQLQIEISA-N 0 3 231.340 0.518 20 0 BCADHN CC1(C)C[C@H](NC[C@@H](O)C(F)F)CO1 ZINC000396922663 262827054 /nfs/dbraw/zinc/82/70/54/262827054.db2.gz SNWYXQWYQPOVHF-NKWVEPMBSA-N 0 3 209.236 0.770 20 0 BCADHN CO[C@H](CN)C(=O)N1CCS[C@H](C)[C@H]1C ZINC000261538242 536556472 /nfs/dbraw/zinc/55/64/72/536556472.db2.gz XOGUEVLZBSKICA-IWSPIJDZSA-N 0 3 232.349 0.313 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)C(N)=O)CCN1C ZINC000683485680 488174193 /nfs/dbraw/zinc/17/41/93/488174193.db2.gz FRUDPFSBJFYPLL-BDAKNGLRSA-N 0 3 241.335 0.097 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCCn1cncn1 ZINC000381171255 398230088 /nfs/dbraw/zinc/23/00/88/398230088.db2.gz PGZKAOWCQPISBJ-NSHDSACASA-N 0 3 239.323 0.302 20 0 BCADHN Cc1cc([C@@H](C)NC[C@@]2(O)CCN(C)C2)no1 ZINC000330804497 178228015 /nfs/dbraw/zinc/22/80/15/178228015.db2.gz GAIMUFBLANIATC-PWSUYJOCSA-N 0 3 239.319 0.700 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1C[C@@H](O)C1(C)C ZINC000164524877 538933653 /nfs/dbraw/zinc/93/36/53/538933653.db2.gz HLTZGBPASKOWHD-RKDXNWHRSA-N 0 3 214.309 0.214 20 0 BCADHN 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CXMKAKLMWHTGNA-VIFPVBQESA-N 0 3 234.303 0.989 20 0 BCADHN C[C@@H](F)CCNC[C@@H](C)S(C)(=O)=O ZINC000517230306 259308570 /nfs/dbraw/zinc/30/85/70/259308570.db2.gz CDBPTEIQORQUEI-HTQZYQBOSA-N 0 3 211.302 0.757 20 0 BCADHN CO[C@H](CN[C@@H](C)C(=O)N(C)C)[C@@H]1CCOC1 ZINC000639101394 398246090 /nfs/dbraw/zinc/24/60/90/398246090.db2.gz ZXSGTFXDNQEUKG-HBNTYKKESA-N 0 3 244.335 0.104 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)[C@H](C)CN1 ZINC000083118217 349537033 /nfs/dbraw/zinc/53/70/33/349537033.db2.gz BBZSZLYHXXYLIK-MXWKQRLJSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC000629979522 361824973 /nfs/dbraw/zinc/82/49/73/361824973.db2.gz XKIZMPTZESWUDR-SECBINFHSA-N 0 3 214.309 0.310 20 0 BCADHN CO[C@H](CNC(=O)COC1(C)CNC1)C(C)C ZINC000381333117 398252335 /nfs/dbraw/zinc/25/23/35/398252335.db2.gz ZMIMBABGWFCBRZ-SNVBAGLBSA-N 0 3 244.335 0.152 20 0 BCADHN CCC[C@H](O)CN[C@H]1C(=O)NCC[C@H]1C ZINC000576671635 365646387 /nfs/dbraw/zinc/64/63/87/365646387.db2.gz 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224.308 0.378 20 0 BCADHN Cc1cccc(CNC[C@](C)(O)CO)c1F ZINC000384452577 398259509 /nfs/dbraw/zinc/25/95/09/398259509.db2.gz HJLDMMIBLJSBFU-LBPRGKRZSA-N 0 3 227.279 0.967 20 0 BCADHN Cn1c(NC(=O)C(C)(C)N)nc2cccnc21 ZINC000576753172 365676307 /nfs/dbraw/zinc/67/63/07/365676307.db2.gz QEUNCXFPFCFDKR-UHFFFAOYSA-N 0 3 233.275 0.644 20 0 BCADHN Cc1cc(CN(C)C(=O)[C@@H]2NCC2(C)C)no1 ZINC000645423493 398255667 /nfs/dbraw/zinc/25/56/67/398255667.db2.gz ADAUOTQSDINZLZ-JTQLQIEISA-N 0 3 237.303 0.939 20 0 BCADHN COc1ccc(CN[C@@H](C)CC(N)=O)cn1 ZINC000162059779 349541122 /nfs/dbraw/zinc/54/11/22/349541122.db2.gz DGFJEROCVBRUJN-QMMMGPOBSA-N 0 3 223.276 0.444 20 0 BCADHN CCC[C@](C)(NC(=O)[C@H](C)NCC)C(=O)OC ZINC000602445254 349546366 /nfs/dbraw/zinc/54/63/66/349546366.db2.gz STRDXDSNXQCEFF-CABZTGNLSA-N 0 3 244.335 0.832 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@H](N)CCC(C)C ZINC000602453970 349553726 /nfs/dbraw/zinc/55/37/26/349553726.db2.gz LWVOQTBTKQAEPQ-VHSXEESVSA-N 0 3 244.335 0.675 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](C(=O)OC)C(C)(C)C ZINC000602455031 349553781 /nfs/dbraw/zinc/55/37/81/349553781.db2.gz QQOSXJHMJRDLBQ-DTWKUNHWSA-N 0 3 244.335 0.688 20 0 BCADHN COCC[C@H](COC)NCc1cnc(C)n1C ZINC000576768454 365681992 /nfs/dbraw/zinc/68/19/92/365681992.db2.gz TVODJGHXOWXBSH-LLVKDONJSA-N 0 3 241.335 0.870 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)[C@H](N)CCC(C)C ZINC000602443184 349543774 /nfs/dbraw/zinc/54/37/74/349543774.db2.gz HISUEWPHPPTKKW-RKDXNWHRSA-N 0 3 230.308 0.428 20 0 BCADHN COCCCN(C)C(=O)[C@H]1NCC1(C)C ZINC000381502398 398260317 /nfs/dbraw/zinc/26/03/17/398260317.db2.gz PZHIJJPKTNNUOM-SECBINFHSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@H]1C[C@@H](O)CN1Cc1ccc(N)nc1 ZINC000384864580 398260437 /nfs/dbraw/zinc/26/04/37/398260437.db2.gz NSXCPNSNPJHSHT-WCBMZHEXSA-N 0 3 207.277 0.449 20 0 BCADHN C/C=C\CNC(=O)C[C@@H]1CSCCN1 ZINC000384992393 398260570 /nfs/dbraw/zinc/26/05/70/398260570.db2.gz KWRXAQCWKMVHKI-PKRMOACSSA-N 0 3 214.334 0.774 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NC1CCOCC1 ZINC000036319732 398261272 /nfs/dbraw/zinc/26/12/72/398261272.db2.gz XEWIBYHXKXFISR-SNVBAGLBSA-N 0 3 214.309 0.655 20 0 BCADHN COCCNCc1cc(C)c(C(=O)OC)[nH]1 ZINC000602501498 349561457 /nfs/dbraw/zinc/56/14/57/349561457.db2.gz CYTKAOXOCALJMS-UHFFFAOYSA-N 0 3 226.276 0.846 20 0 BCADHN COCC[C@@H](C)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000378731983 346820414 /nfs/dbraw/zinc/82/04/14/346820414.db2.gz LGSFNRHSSWVTIT-IVZWLZJFSA-N 0 3 235.349 0.434 20 0 BCADHN O=C(NCC(F)F)[C@H]1CNCCC1(F)F ZINC000381635878 398266858 /nfs/dbraw/zinc/26/68/58/398266858.db2.gz VQNHACBJWIMVPJ-RXMQYKEDSA-N 0 3 228.189 0.613 20 0 BCADHN CCN[C@@H](C)C(=O)N1CC[C@@](C)(C(=O)OC)C1 ZINC000602502246 349561424 /nfs/dbraw/zinc/56/14/24/349561424.db2.gz GCJNCEPDSQCNQK-JOYOIKCWSA-N 0 3 242.319 0.396 20 0 BCADHN CCSC1(CNC(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000602522942 349575816 /nfs/dbraw/zinc/57/58/16/349575816.db2.gz WERSEJOZIWACIN-DTWKUNHWSA-N 0 3 244.360 0.505 20 0 BCADHN COC(=O)c1cc(CNC[C@H](C)CO)[nH]c1C ZINC000602521821 349575853 /nfs/dbraw/zinc/57/58/53/349575853.db2.gz RVUHHVVHOIPOGB-QMMMGPOBSA-N 0 3 240.303 0.828 20 0 BCADHN COC(=O)c1[nH]c(CN[C@H](C)CO)cc1C ZINC000602522565 349576068 /nfs/dbraw/zinc/57/60/68/349576068.db2.gz DQVDFGDRAAJXAQ-MRVPVSSYSA-N 0 3 226.276 0.580 20 0 BCADHN CO[C@]1(CNCc2snnc2C)CCOC1 ZINC000381688859 398269624 /nfs/dbraw/zinc/26/96/24/398269624.db2.gz ZHNDGJAUKDNBLX-JTQLQIEISA-N 0 3 243.332 0.742 20 0 BCADHN COC(=O)c1[nH]c(CNC[C@H](C)CO)cc1C ZINC000602528643 349578134 /nfs/dbraw/zinc/57/81/34/349578134.db2.gz SGBZYYZLSYTWGY-QMMMGPOBSA-N 0 3 240.303 0.828 20 0 BCADHN CC(C)n1ccc(CNC(=O)C2(N)CC2)n1 ZINC000582003864 398269948 /nfs/dbraw/zinc/26/99/48/398269948.db2.gz JNOIWEFCZYCJQD-UHFFFAOYSA-N 0 3 222.292 0.572 20 0 BCADHN COC[C@H](C)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000090181055 398270310 /nfs/dbraw/zinc/27/03/10/398270310.db2.gz UFLFVPCEEMWXFH-IUCAKERBSA-N 0 3 212.293 0.374 20 0 BCADHN Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)c([O-])c1 ZINC000050228743 178396081 /nfs/dbraw/zinc/39/60/81/178396081.db2.gz WLFXYWJLLXFVGM-SECBINFHSA-N 0 3 220.272 0.874 20 0 BCADHN C[C@@H](CN[C@@H](C)[C@@]1(C)CCCO1)S(C)(=O)=O ZINC000378776795 346829906 /nfs/dbraw/zinc/82/99/06/346829906.db2.gz FNHUMZSOIWFFHR-GARJFASQSA-N 0 3 249.376 0.967 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)C1=CCCCC1 ZINC000188625532 346829956 /nfs/dbraw/zinc/82/99/56/346829956.db2.gz BXMRYTFNZPHOOW-CYBMUJFWSA-N 0 3 240.347 0.916 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(C)[C@H]1CCOC1 ZINC000252700276 346830897 /nfs/dbraw/zinc/83/08/97/346830897.db2.gz YYSLYJVTOWYCIN-LPEHRKFASA-N 0 3 214.309 0.607 20 0 BCADHN O[C@@]1(CNCc2cnc3ccccn23)CCOC1 ZINC000179021588 538954358 /nfs/dbraw/zinc/95/43/58/538954358.db2.gz VKAQMYALKVGBHV-CYBMUJFWSA-N 0 3 247.298 0.575 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)OCC ZINC000602511135 349585191 /nfs/dbraw/zinc/58/51/91/349585191.db2.gz SRPQSJSTRYUTNF-VHSXEESVSA-N 0 3 242.319 0.539 20 0 BCADHN CCN[C@@H](C)C(=O)N(CCC(=O)OC)C(C)C ZINC000602511155 349585225 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ZINC000380961599 538993691 /nfs/dbraw/zinc/99/36/91/538993691.db2.gz AZYACIYIPYKUMV-UHFFFAOYSA-N 0 3 225.292 0.383 20 0 BCADHN CCCCOCCN(C)CCNC(C)=O ZINC000564928046 398291362 /nfs/dbraw/zinc/29/13/62/398291362.db2.gz GLAUQWFOSOOWCG-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN OCC[C@]1(NCc2cn[nH]c2)CCOC1 ZINC000379947745 538982189 /nfs/dbraw/zinc/98/21/89/538982189.db2.gz RQFAJDGDRYHDNQ-JTQLQIEISA-N 0 3 211.265 0.041 20 0 BCADHN C[C@@H](CO)CN[C@H](CCO)c1ccco1 ZINC000380115661 538985440 /nfs/dbraw/zinc/98/54/40/538985440.db2.gz PKAKWECRQCEMIX-NXEZZACHSA-N 0 3 213.277 0.921 20 0 BCADHN CCCN(C)CC(=O)NCc1cc(OC)no1 ZINC000640715177 361957066 /nfs/dbraw/zinc/95/70/66/361957066.db2.gz KKLRKNIEKVHINN-UHFFFAOYSA-N 0 3 241.291 0.641 20 0 BCADHN Cc1cnn(C)c1CN[C@H]1CCCN(C)C1 ZINC000381703553 539006069 /nfs/dbraw/zinc/00/60/69/539006069.db2.gz ITMNAQCFKRKUDB-NSHDSACASA-N 0 3 222.336 0.912 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCNC(C)(C)C1 ZINC000335628203 136241235 /nfs/dbraw/zinc/24/12/35/136241235.db2.gz YAZPHNUMOCVLRK-UWVGGRQHSA-N 0 3 227.352 0.570 20 0 BCADHN C[C@H](NCCc1nnnn1C)c1ccoc1 ZINC000381656246 539006156 /nfs/dbraw/zinc/00/61/56/539006156.db2.gz FHPMCFCOFMTQCA-QMMMGPOBSA-N 0 3 221.264 0.696 20 0 BCADHN Cc1cnc(NC[C@@]2(O)CCN(C)C2)nc1 ZINC000381741682 539006248 /nfs/dbraw/zinc/00/62/48/539006248.db2.gz PBIIXSBXSUYDKN-NSHDSACASA-N 0 3 222.292 0.264 20 0 BCADHN COC[C@@H](C)OC[C@H](O)CN1CC(C)(C)C1 ZINC000381883323 539007933 /nfs/dbraw/zinc/00/79/33/539007933.db2.gz PNPADLONTRPQSW-GHMZBOCLSA-N 0 3 231.336 0.741 20 0 BCADHN COC[C@@](C)(CO)NCc1cccnc1C ZINC000381349397 538998843 /nfs/dbraw/zinc/99/88/43/538998843.db2.gz AQXGFCFYZGIBOR-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN CCNC(=O)C(C)(C)CNCc1cn[nH]c1 ZINC000390440889 539021361 /nfs/dbraw/zinc/02/13/61/539021361.db2.gz VGOWUDWJFJRGSV-UHFFFAOYSA-N 0 3 224.308 0.662 20 0 BCADHN CCCCOCCNC(=O)[C@H](N)CC ZINC000040507685 344006422 /nfs/dbraw/zinc/00/64/22/344006422.db2.gz VEWFTUDVCNPNCB-SECBINFHSA-N 0 3 202.298 0.657 20 0 BCADHN Cc1ccc(CNCCN2CC[C@H](O)C2)o1 ZINC000623835976 342842467 /nfs/dbraw/zinc/84/24/67/342842467.db2.gz GGNKGFWIKMRKAG-NSHDSACASA-N 0 3 224.304 0.744 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H](CO)CC1CC1 ZINC000390513253 539026219 /nfs/dbraw/zinc/02/62/19/539026219.db2.gz CGUTXDYKMSKCBC-MWLCHTKSSA-N 0 3 249.376 0.560 20 0 BCADHN CCn1nccc1CN[C@H]1CN(C)C[C@@H]1C ZINC000390586921 539026472 /nfs/dbraw/zinc/02/64/72/539026472.db2.gz YKFJMCOIFFXCHB-JQWIXIFHSA-N 0 3 222.336 0.943 20 0 BCADHN CN1C[C@H](NCc2ccc(O)cc2)CC1=O ZINC000390628618 539026654 /nfs/dbraw/zinc/02/66/54/539026654.db2.gz IAKSOOMGCQKNEF-SNVBAGLBSA-N 0 3 220.272 0.713 20 0 BCADHN C[C@H]1CSC[C@H]1NCC(=O)Nc1ccon1 ZINC000390608749 539026835 /nfs/dbraw/zinc/02/68/35/539026835.db2.gz DKZHASCIVCOMEX-JGVFFNPUSA-N 0 3 241.316 0.376 20 0 BCADHN C[C@@H](CO[C@H]1CCOC1)NC1CSC1 ZINC000389227232 539015767 /nfs/dbraw/zinc/01/57/67/539015767.db2.gz RATLGBYJVAIHFJ-WPRPVWTQSA-N 0 3 217.334 0.885 20 0 BCADHN COC(=O)[C@@H]1CN(CCn2cccn2)C[C@H]1C ZINC000251564605 398298553 /nfs/dbraw/zinc/29/85/53/398298553.db2.gz BTYRBGQYDAQEGT-GHMZBOCLSA-N 0 3 237.303 0.624 20 0 BCADHN C[C@H]1C[C@@H](NCc2ncnn2C)CN1C1CC1 ZINC000389302552 539016173 /nfs/dbraw/zinc/01/61/73/539016173.db2.gz IWJZWBOPERUPAA-VHSXEESVSA-N 0 3 235.335 0.530 20 0 BCADHN C[C@@H]1C[C@H](NCc2cn(C)nn2)CN1C1CC1 ZINC000389808356 539017708 /nfs/dbraw/zinc/01/77/08/539017708.db2.gz BAYFKTXQLUCKBH-ZJUUUORDSA-N 0 3 235.335 0.530 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccccc1-n1cncn1 ZINC000037027688 398300267 /nfs/dbraw/zinc/30/02/67/398300267.db2.gz LMAOYQFEZQONCH-SECBINFHSA-N 0 3 245.286 0.943 20 0 BCADHN CCO[C@H](CN(CC(N)=O)C(C)C)C1CC1 ZINC000625055478 342846827 /nfs/dbraw/zinc/84/68/27/342846827.db2.gz JGAQBLMUBYOESC-LLVKDONJSA-N 0 3 228.336 0.997 20 0 BCADHN CO[C@@H](C(=O)NCC1=CCN(C)CC1)C1CC1 ZINC000350779195 398301726 /nfs/dbraw/zinc/30/17/26/398301726.db2.gz AFJAGSIPFONLBZ-GFCCVEGCSA-N 0 3 238.331 0.790 20 0 BCADHN COC(C)(C)CNC(=O)[C@@H](N)CC(C)C ZINC000133461604 398311173 /nfs/dbraw/zinc/31/11/73/398311173.db2.gz LHLIUINZSRWKRC-VIFPVBQESA-N 0 3 216.325 0.901 20 0 BCADHN C[C@H]1CCN(CC(=O)N2Cc3cnn(C)c3C2)C1 ZINC000623253388 398303797 /nfs/dbraw/zinc/30/37/97/398303797.db2.gz JYNTYLRHHZGCHX-JTQLQIEISA-N 0 3 248.330 0.604 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2Cc3cnn(C)c3C2)C1 ZINC000623253389 398304001 /nfs/dbraw/zinc/30/40/01/398304001.db2.gz JYNTYLRHHZGCHX-SNVBAGLBSA-N 0 3 248.330 0.604 20 0 BCADHN C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2)CO1 ZINC000402105628 349631830 /nfs/dbraw/zinc/63/18/30/349631830.db2.gz VYBGRZUMNZDNLB-LPEHRKFASA-N 0 3 212.293 0.422 20 0 BCADHN COC[C@H](C)NCC(=O)N(C)CC(F)(F)F ZINC000165010103 342865947 /nfs/dbraw/zinc/86/59/47/342865947.db2.gz ZXPKAMDIMKXMIS-ZETCQYMHSA-N 0 3 242.241 0.632 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCN2)CO1 ZINC000402105627 349631850 /nfs/dbraw/zinc/63/18/50/349631850.db2.gz VYBGRZUMNZDNLB-KXUCPTDWSA-N 0 3 212.293 0.422 20 0 BCADHN CC[C@H](C)CN(C)C(=O)CN1CCNCC1 ZINC000037173985 398304657 /nfs/dbraw/zinc/30/46/57/398304657.db2.gz UHLCDXFQUSHDNT-NSHDSACASA-N 0 3 227.352 0.396 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC000233483043 342867944 /nfs/dbraw/zinc/86/79/44/342867944.db2.gz XZVJVTCTXFXJOA-JTQLQIEISA-N 0 3 249.314 0.589 20 0 BCADHN CCNC(=O)CNC[C@@H](OC)C1CC1 ZINC000382114008 398305908 /nfs/dbraw/zinc/30/59/08/398305908.db2.gz LKTNAURAIBEAHL-SECBINFHSA-N 0 3 200.282 0.137 20 0 BCADHN COCCN(C)C[C@H](O)CC1(O)CCC1 ZINC000625104593 342857966 /nfs/dbraw/zinc/85/79/66/342857966.db2.gz BWQPLDSSALRMIU-SNVBAGLBSA-N 0 3 217.309 0.231 20 0 BCADHN C=Cn1cc(CNCCN2CCOCC2)cn1 ZINC000232570042 342860551 /nfs/dbraw/zinc/86/05/51/342860551.db2.gz JTRMRVJBRAEURV-UHFFFAOYSA-N 0 3 236.319 0.405 20 0 BCADHN C[C@@H](O)CNCc1cccc2c1OCO2 ZINC000036168457 342894104 /nfs/dbraw/zinc/89/41/04/342894104.db2.gz XMASQHDYDGEQTR-MRVPVSSYSA-N 0 3 209.245 0.886 20 0 BCADHN CNS(=O)(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000352173250 398316206 /nfs/dbraw/zinc/31/62/06/398316206.db2.gz ZYMBMYPYVCTINU-VIFPVBQESA-N 0 3 249.380 0.113 20 0 BCADHN Nc1nc(N)nc(NC[C@H]2CCC[C@H]2C2CC2)n1 ZINC000624275510 398317136 /nfs/dbraw/zinc/31/71/36/398317136.db2.gz WRKUJHCIFMXKIX-BDAKNGLRSA-N 0 3 248.334 0.357 20 0 BCADHN Nc1nc(N)nc(NC[C@H]2CCC[C@@H]2C2CC2)n1 ZINC000624275513 398317198 /nfs/dbraw/zinc/31/71/98/398317198.db2.gz WRKUJHCIFMXKIX-RKDXNWHRSA-N 0 3 248.334 0.357 20 0 BCADHN CC1(C)OCC[C@@H]1N[C@H]1CCN(C2CC2)C1=O ZINC000336254646 398317461 /nfs/dbraw/zinc/31/74/61/398317461.db2.gz DXOPVUMTOUNPDG-QWRGUYRKSA-N 0 3 238.331 0.907 20 0 BCADHN CN(C)CCNC(=O)c1ccnc(F)c1 ZINC000041038656 398317684 /nfs/dbraw/zinc/31/76/84/398317684.db2.gz MJYKVRWBOVSROY-UHFFFAOYSA-N 0 3 211.240 0.512 20 0 BCADHN Cc1ncc(CC(=O)NC[C@@H](C)N(C)C)o1 ZINC000639520489 398318579 /nfs/dbraw/zinc/31/85/79/398318579.db2.gz SGUHUXXMOVLIAT-MRVPVSSYSA-N 0 3 225.292 0.592 20 0 BCADHN CN(CCc1cn(C)nn1)CC(C)(C)O ZINC000625169816 342899378 /nfs/dbraw/zinc/89/93/78/342899378.db2.gz QQZLHZYRNGFIBE-UHFFFAOYSA-N 0 3 212.297 0.060 20 0 BCADHN COCCN(CCO)CCOC1CCOCC1 ZINC000625130546 342882875 /nfs/dbraw/zinc/88/28/75/342882875.db2.gz HGCKJIPSUWTYCZ-UHFFFAOYSA-N 0 3 247.335 0.123 20 0 BCADHN COC(=O)CCN1CCC[C@H](CO)C1 ZINC000035150073 342884233 /nfs/dbraw/zinc/88/42/33/342884233.db2.gz CBESSIJLBWEBQF-VIFPVBQESA-N 0 3 201.266 0.254 20 0 BCADHN CCN(CCO)CCOC1CCOCC1 ZINC000625136428 342887569 /nfs/dbraw/zinc/88/75/69/342887569.db2.gz MQXMFKRCZICKNX-UHFFFAOYSA-N 0 3 217.309 0.496 20 0 BCADHN CO[C@H]1CCCN(CCc2cn(C)nn2)C1 ZINC000625138452 342888444 /nfs/dbraw/zinc/88/84/44/342888444.db2.gz KFKZLCYGUYQTEX-NSHDSACASA-N 0 3 224.308 0.468 20 0 BCADHN Cc1cnccc1CN1C[C@@H](CO)[C@H](CO)C1 ZINC000528597153 398314278 /nfs/dbraw/zinc/31/42/78/398314278.db2.gz CSHVCAVGOGNUAN-STQMWFEESA-N 0 3 236.315 0.423 20 0 BCADHN CSC[C@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000300769031 259327846 /nfs/dbraw/zinc/32/78/46/259327846.db2.gz XWPSZPZJHPQHRE-VHSXEESVSA-N 0 3 245.392 0.087 20 0 BCADHN CSC[C@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000300769029 259327870 /nfs/dbraw/zinc/32/78/70/259327870.db2.gz XWPSZPZJHPQHRE-UWVGGRQHSA-N 0 3 245.392 0.087 20 0 BCADHN CC(C)(C)NC(=O)CNC1CCOCC1 ZINC000036319766 342908981 /nfs/dbraw/zinc/90/89/81/342908981.db2.gz XDIOUNNDEHJCKU-UHFFFAOYSA-N 0 3 214.309 0.670 20 0 BCADHN CCC[C@H](N)C(=O)NC1CCOCC1 ZINC000036873454 342913335 /nfs/dbraw/zinc/91/33/35/342913335.db2.gz PRUOSNAJGQDGTO-VIFPVBQESA-N 0 3 200.282 0.409 20 0 BCADHN COC(=O)C(C)(C)CCN(C)[C@@H]1COC[C@H]1O ZINC000352800816 398323652 /nfs/dbraw/zinc/32/36/52/398323652.db2.gz QBBNBGBEZJSEKP-NXEZZACHSA-N 0 3 245.319 0.267 20 0 BCADHN CO[C@@H](C)CN(CC(=O)N(C)C)C(C)C ZINC000351518179 136246810 /nfs/dbraw/zinc/24/68/10/136246810.db2.gz LMRQBAZYKUZOOO-JTQLQIEISA-N 0 3 216.325 0.820 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CC[C@@H](OC)C1 ZINC000233880072 342913417 /nfs/dbraw/zinc/91/34/17/342913417.db2.gz LMPLAKVUFQPQNK-IWSPIJDZSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@H]1[C@H](C)N(Cc2cnnn2C)CCN1C ZINC000351571877 136246936 /nfs/dbraw/zinc/24/69/36/136246936.db2.gz BUALGCAOUJKNMY-UWVGGRQHSA-N 0 3 223.324 0.340 20 0 BCADHN C[C@@H]1[C@H](C)N(Cc2cnnn2C)CCN1C ZINC000351571879 136247150 /nfs/dbraw/zinc/24/71/50/136247150.db2.gz BUALGCAOUJKNMY-ZJUUUORDSA-N 0 3 223.324 0.340 20 0 BCADHN C[C@@H]1CN(CC[C@@H]2CCNC2=O)C[C@H](C)O1 ZINC000313879181 346871653 /nfs/dbraw/zinc/87/16/53/346871653.db2.gz GKYVRKKJAVMYRD-AXFHLTTASA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@@H](CN[C@@H](C)c1cnn(C)c1)OC ZINC000227714929 536627908 /nfs/dbraw/zinc/62/79/08/536627908.db2.gz LSAKGKOTVXSIDY-GXSJLCMTSA-N 0 3 227.308 0.732 20 0 BCADHN CN(C)C(=O)CCCNC[C@H](O)C(F)(F)F ZINC000234216224 342918857 /nfs/dbraw/zinc/91/88/57/342918857.db2.gz ZOESFGGQQPNVKI-ZETCQYMHSA-N 0 3 242.241 0.368 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)CC[C@@H](C)O ZINC000219798918 342920398 /nfs/dbraw/zinc/92/03/98/342920398.db2.gz BWWGKCLVFCAFKX-ZJUUUORDSA-N 0 3 233.308 0.003 20 0 BCADHN COC(=O)[C@](C)(O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000234549982 342929908 /nfs/dbraw/zinc/92/99/08/342929908.db2.gz CPYPBXCWHFPZTI-HOSYDEDBSA-N 0 3 243.303 0.068 20 0 BCADHN CC(C)=CCN(C)C[C@@H](O)CN1CCOCC1 ZINC000304858939 398326918 /nfs/dbraw/zinc/32/69/18/398326918.db2.gz XTWNDAUPLDDGNR-CYBMUJFWSA-N 0 3 242.363 0.578 20 0 BCADHN COC(=O)CCCNC[C@@H](O)C(F)(F)F ZINC000234524133 342930070 /nfs/dbraw/zinc/93/00/70/342930070.db2.gz HOQFJVOLUNGXTO-ZCFIWIBFSA-N 0 3 229.198 0.452 20 0 BCADHN Cc1cncc(CNCCC(=O)NC(N)=O)c1 ZINC000580304453 346878227 /nfs/dbraw/zinc/87/82/27/346878227.db2.gz GVNRRRSGFGHDPU-UHFFFAOYSA-N 0 3 236.275 0.065 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCCN1CCO ZINC000650597227 398328561 /nfs/dbraw/zinc/32/85/61/398328561.db2.gz CFKVUICPNHMCHI-UTUOFQBUSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCCN1CCO ZINC000650597228 398328566 /nfs/dbraw/zinc/32/85/66/398328566.db2.gz CFKVUICPNHMCHI-WOPDTQHZSA-N 0 3 240.347 0.605 20 0 BCADHN COC(=O)C12CCC(CC1)N2C(=O)[C@H](C)N ZINC000602598174 349644933 /nfs/dbraw/zinc/64/49/33/349644933.db2.gz NYCMPPIXQKCEGQ-JYPKXMCJSA-N 0 3 226.276 0.030 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](C)CC ZINC000129566482 344010243 /nfs/dbraw/zinc/01/02/43/344010243.db2.gz KNUYNTOHCWEVOG-DJLDLDEBSA-N 0 3 229.324 0.143 20 0 BCADHN COCCC(C)(C)CNC(=O)C1(N)CC1 ZINC000234651218 342933186 /nfs/dbraw/zinc/93/31/86/342933186.db2.gz WGEWVIMOOPYQMK-UHFFFAOYSA-N 0 3 214.309 0.657 20 0 BCADHN CC1CC(N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000162328390 349660114 /nfs/dbraw/zinc/66/01/14/349660114.db2.gz KTDWQNDSFLUTNM-KYHHOPLUSA-N 0 3 217.334 0.952 20 0 BCADHN CCOC(=O)C1(C)CC(N[C@H](C)C(N)=O)C1 ZINC000602637647 349651490 /nfs/dbraw/zinc/65/14/90/349651490.db2.gz NQSYFJVHEUJMMI-OBEAGUGNSA-N 0 3 228.292 0.182 20 0 BCADHN COc1ccc(CN[C@H](C)[C@H](C)O)c(OC)n1 ZINC000580306175 346880241 /nfs/dbraw/zinc/88/02/41/346880241.db2.gz CARASHHGCPTONI-BDAKNGLRSA-N 0 3 240.303 0.958 20 0 BCADHN COc1ccc(CN[C@@H](C)[C@H](C)O)c(OC)n1 ZINC000580306179 346880358 /nfs/dbraw/zinc/88/03/58/346880358.db2.gz CARASHHGCPTONI-IUCAKERBSA-N 0 3 240.303 0.958 20 0 BCADHN CC[C@H](C)C[C@H](CO)NCc1cnnn1C ZINC000647244368 398330605 /nfs/dbraw/zinc/33/06/05/398330605.db2.gz YKAOTMATTYAKNG-VHSXEESVSA-N 0 3 226.324 0.702 20 0 BCADHN CN(C)CCN1NC=C2[C@H](C1=O)C2(F)F ZINC000634589074 342935128 /nfs/dbraw/zinc/93/51/28/342935128.db2.gz NGTYLUXYWOBLHJ-NKWVEPMBSA-N 0 3 217.219 0.257 20 0 BCADHN COC(=O)CCN(CC(N)=O)C(C)(C)C ZINC000133957127 323020916 /nfs/dbraw/zinc/02/09/16/323020916.db2.gz GNQFMOBVUYBSGD-UHFFFAOYSA-N 0 3 216.281 0.135 20 0 BCADHN COC[C@@H](C)OC[C@H](O)CN1CC(C2CC2)C1 ZINC000642924287 398336721 /nfs/dbraw/zinc/33/67/21/398336721.db2.gz HLBVZELUONHDSC-ZWNOBZJWSA-N 0 3 243.347 0.741 20 0 BCADHN O=C1NCC[C@@H]1CCN1CCN(C2CC2)CC1 ZINC000562478336 323021489 /nfs/dbraw/zinc/02/14/89/323021489.db2.gz JFYXPVZTXBMISZ-LLVKDONJSA-N 0 3 237.347 0.293 20 0 BCADHN CCC[C@H](CN[C@@H]1CCCS(=O)(=O)C1)OC ZINC000356346825 398338805 /nfs/dbraw/zinc/33/88/05/398338805.db2.gz ZAJYSCNYBHVGGC-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN CCN(C)C(=O)CN1[C@H](C)CCC[C@@H]1CO ZINC000354876605 398331074 /nfs/dbraw/zinc/33/10/74/398331074.db2.gz HNTPXEOROSFSMA-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN COC(=O)c1cc(CN[C@@H](C)CN(C)C)on1 ZINC000602655895 349661706 /nfs/dbraw/zinc/66/17/06/349661706.db2.gz RBVADLGHVWHJIU-QMMMGPOBSA-N 0 3 241.291 0.501 20 0 BCADHN Cc1nn(CCN(C)C)c(=O)c2cccnc12 ZINC000634590089 342937136 /nfs/dbraw/zinc/93/71/36/342937136.db2.gz PSVNYNFDWQJSSX-UHFFFAOYSA-N 0 3 232.287 0.662 20 0 BCADHN COC(=O)c1cc(CN(C)CCN(C)C)on1 ZINC000602658166 349663655 /nfs/dbraw/zinc/66/36/55/349663655.db2.gz CJBGNVVJVYMNJK-UHFFFAOYSA-N 0 3 241.291 0.455 20 0 BCADHN CCCC[C@@H](N)C(=O)Nc1ccn(C)n1 ZINC000037480766 342937641 /nfs/dbraw/zinc/93/76/41/342937641.db2.gz JLCZTLBYDIDCRG-MRVPVSSYSA-N 0 3 210.281 0.876 20 0 BCADHN CCCCN(C(=O)CN1CCNCC1)C1CC1 ZINC000037810361 398334883 /nfs/dbraw/zinc/33/48/83/398334883.db2.gz WEJXBAKADAZNKV-UHFFFAOYSA-N 0 3 239.363 0.683 20 0 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ZINC000383425700 362023572 /nfs/dbraw/zinc/02/35/72/362023572.db2.gz GNODQBSWASUVLB-LURJTMIESA-N 0 3 228.264 0.051 20 0 BCADHN CO[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC000618149541 346925317 /nfs/dbraw/zinc/92/53/17/346925317.db2.gz NXKNJSQZWJQMJQ-SSDOTTSWSA-N 0 3 211.265 0.412 20 0 BCADHN COCCNCCNC(=O)N[C@H](C)C1CCC1 ZINC000669544935 488199265 /nfs/dbraw/zinc/19/92/65/488199265.db2.gz SDQCTLVEZHUMDX-SNVBAGLBSA-N 0 3 243.351 0.710 20 0 BCADHN C[S@](=O)C1(CNC2CSC2)CCC1 ZINC000379366578 343096964 /nfs/dbraw/zinc/09/69/64/343096964.db2.gz RXALRPSLNRTPII-ZDUSSCGKSA-N 0 3 219.375 0.993 20 0 BCADHN Cc1cc(Cn2cc(CCN(C)C)nn2)on1 ZINC000640893822 362070105 /nfs/dbraw/zinc/07/01/05/362070105.db2.gz VMHGZOPEHKCHCS-UHFFFAOYSA-N 0 3 235.291 0.727 20 0 BCADHN C[C@H](CNC(=O)c1cnn2cccnc12)N(C)C ZINC000046272027 343100312 /nfs/dbraw/zinc/10/03/12/343100312.db2.gz SJDKGGOXRHWBKX-SECBINFHSA-N 0 3 247.302 0.409 20 0 BCADHN CNC(=O)Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000640792820 362045434 /nfs/dbraw/zinc/04/54/34/362045434.db2.gz YLUWUVKBCIKYCB-VIFPVBQESA-N 0 3 225.296 0.070 20 0 BCADHN CCN(CCO)CCNC(=O)c1nccs1 ZINC000683572360 488199303 /nfs/dbraw/zinc/19/93/03/488199303.db2.gz OQHKDWYZYNZVLS-UHFFFAOYSA-N 0 3 243.332 0.187 20 0 BCADHN CC[C@H](N)C(=O)N(C)CC1CCOCC1 ZINC000082545454 362056959 /nfs/dbraw/zinc/05/69/59/362056959.db2.gz HQTDKEAWVHAVBE-JTQLQIEISA-N 0 3 214.309 0.609 20 0 BCADHN CN[C@@H](C)C(=O)N(C)CC1CCOCC1 ZINC000082545456 362057615 /nfs/dbraw/zinc/05/76/15/362057615.db2.gz BKOZAMFBEQQEET-VIFPVBQESA-N 0 3 214.309 0.479 20 0 BCADHN Cn1cncc1CCCN1CCOC[C@@H](O)C1 ZINC000399889960 343095612 /nfs/dbraw/zinc/09/56/12/343095612.db2.gz IWZUOCUKCAXNKR-LBPRGKRZSA-N 0 3 239.319 0.046 20 0 BCADHN Cc1ncsc1CNCCN1CC[C@H](O)C1 ZINC000623837836 343095850 /nfs/dbraw/zinc/09/58/50/343095850.db2.gz WULHMYZGHUNITA-JTQLQIEISA-N 0 3 241.360 0.608 20 0 BCADHN COCCN1CC[C@H](NCc2cn(C)cn2)C1 ZINC000673601807 488201697 /nfs/dbraw/zinc/20/16/97/488201697.db2.gz PEBRRYWFIMALGO-NSHDSACASA-N 0 3 238.335 0.230 20 0 BCADHN CNC(C)(C)c1cn(CCn2ccnc2C)nn1 ZINC000640985723 362102089 /nfs/dbraw/zinc/10/20/89/362102089.db2.gz NRKGNQQVQZOPAA-UHFFFAOYSA-N 0 3 248.334 0.938 20 0 BCADHN CC[C@H](C)n1cc(C[C@@H](N)COC)nn1 ZINC000640938855 362075151 /nfs/dbraw/zinc/07/51/51/362075151.db2.gz LWXVQMZIBIXNQA-DTWKUNHWSA-N 0 3 212.297 0.765 20 0 BCADHN COCCOCCn1cc(CCN(C)C)nn1 ZINC000640939599 362078271 /nfs/dbraw/zinc/07/82/71/362078271.db2.gz ULYJLZIITAPMKX-UHFFFAOYSA-N 0 3 242.323 0.045 20 0 BCADHN CC[C@H](C)Cn1cc(C[C@H](N)COC)nn1 ZINC000640939844 362079864 /nfs/dbraw/zinc/07/98/64/362079864.db2.gz FSQUMZTVPOFDIM-UWVGGRQHSA-N 0 3 226.324 0.840 20 0 BCADHN CN(C)CCCS(=O)(=O)N1CCCCC1 ZINC000231385638 488201401 /nfs/dbraw/zinc/20/14/01/488201401.db2.gz NBQSSZCEBCARAT-UHFFFAOYSA-N 0 3 234.365 0.754 20 0 BCADHN C[C@@H](O)[C@@H]1CCCN(CCc2cn(C)nn2)C1 ZINC000625263675 343145540 /nfs/dbraw/zinc/14/55/40/343145540.db2.gz SIXJOVNUYSRDQH-GHMZBOCLSA-N 0 3 238.335 0.450 20 0 BCADHN C[C@H](CN[C@@H](CO)C(C)(C)C)S(C)(=O)=O ZINC000576875936 365711848 /nfs/dbraw/zinc/71/18/48/365711848.db2.gz MTEQNAGVGJSEFZ-BDAKNGLRSA-N 0 3 237.365 0.416 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCCOC(C)(C)C ZINC000193581082 136270932 /nfs/dbraw/zinc/27/09/32/136270932.db2.gz WBXLFQXLQWDOIK-NXEZZACHSA-N 0 3 228.336 0.916 20 0 BCADHN COCc1csc(NC(=O)CNC2CC2)n1 ZINC000237233128 343130713 /nfs/dbraw/zinc/13/07/13/343130713.db2.gz OAUUNVVSEUMKNJ-UHFFFAOYSA-N 0 3 241.316 0.980 20 0 BCADHN COc1ccnc(NC(=O)CNC2CC2)c1 ZINC000237358801 343135360 /nfs/dbraw/zinc/13/53/60/343135360.db2.gz QHRBGODSJGYFRG-UHFFFAOYSA-N 0 3 221.260 0.781 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)N1CCCCC1 ZINC000129511518 343177927 /nfs/dbraw/zinc/17/79/27/343177927.db2.gz WPONZQXBWKXRTF-WDEREUQCSA-N 0 3 240.347 0.748 20 0 BCADHN CSC[C@H](C)NC(=O)CNC(C)C ZINC000127613521 343178521 /nfs/dbraw/zinc/17/85/21/343178521.db2.gz HEGLPQVMDAHWLK-QMMMGPOBSA-N 0 3 204.339 0.852 20 0 BCADHN Cc1ccc(CCNC(=O)C2(N)CC2)cn1 ZINC000237707114 343179185 /nfs/dbraw/zinc/17/91/85/343179185.db2.gz AVVIHDYCAMXJCM-UHFFFAOYSA-N 0 3 219.288 0.540 20 0 BCADHN COc1c(N)ncnc1N[C@@H](C)CN(C)C ZINC000130766824 343182321 /nfs/dbraw/zinc/18/23/21/343182321.db2.gz ZDYGNNKAMQFASD-ZETCQYMHSA-N 0 3 225.296 0.429 20 0 BCADHN CO[C@H](C)C(=O)NCCN(C)C1CC1 ZINC000068129731 136273293 /nfs/dbraw/zinc/27/32/93/136273293.db2.gz MXUOFNZVAGNPEC-MRVPVSSYSA-N 0 3 200.282 0.232 20 0 BCADHN Cc1nn(C)c(C)c1CNC(=O)CNC(C)C ZINC000092328512 343153472 /nfs/dbraw/zinc/15/34/72/343153472.db2.gz UXXOTCGPKUAYBI-UHFFFAOYSA-N 0 3 238.335 0.651 20 0 BCADHN CC[C@@](C)(CO)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000576954251 365730857 /nfs/dbraw/zinc/73/08/57/365730857.db2.gz GXIDSVDQFQCJBP-GWCFXTLKSA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@](C)(CO)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000576954254 365731382 /nfs/dbraw/zinc/73/13/82/365731382.db2.gz GXIDSVDQFQCJBP-ZWNOBZJWSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H](CO)N(C)CCOC1CCOCC1 ZINC000625268300 343157662 /nfs/dbraw/zinc/15/76/62/343157662.db2.gz UMUSKMBBCPOIGF-SNVBAGLBSA-N 0 3 217.309 0.495 20 0 BCADHN Cc1cncc(C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000122551391 343160476 /nfs/dbraw/zinc/16/04/76/343160476.db2.gz UZDJFFKCERHBTM-LBPRGKRZSA-N 0 3 248.330 0.105 20 0 BCADHN C[C@@H]1COCCCN1CCc1cn(C)nn1 ZINC000625268426 343160491 /nfs/dbraw/zinc/16/04/91/343160491.db2.gz YKXSZVDRRAIKRI-SNVBAGLBSA-N 0 3 224.308 0.468 20 0 BCADHN CCN(C)C(=O)NC[C@H]1CCCN(C)C1 ZINC000122985982 343161349 /nfs/dbraw/zinc/16/13/49/343161349.db2.gz CQAAAABJPGKALS-SNVBAGLBSA-N 0 3 213.325 0.990 20 0 BCADHN CCN(C)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000122985802 343161656 /nfs/dbraw/zinc/16/16/56/343161656.db2.gz CQAAAABJPGKALS-JTQLQIEISA-N 0 3 213.325 0.990 20 0 BCADHN Cc1cc(=O)[nH]cc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237466911 136272350 /nfs/dbraw/zinc/27/23/50/136272350.db2.gz MADVKZRTZSPMSE-ZJUUUORDSA-N 0 3 249.314 0.506 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccnc2ccnn21 ZINC000129724921 344028814 /nfs/dbraw/zinc/02/88/14/344028814.db2.gz ZCCMWDVCRLIRBP-SSDOTTSWSA-N 0 3 219.248 0.405 20 0 BCADHN CCOCCN1CCNC[C@H]1C(F)F ZINC000308892460 346929888 /nfs/dbraw/zinc/92/98/88/346929888.db2.gz XPRFPMSDIJXDDO-QMMMGPOBSA-N 0 3 208.252 0.562 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCCn1ccnn1 ZINC000127113670 343171946 /nfs/dbraw/zinc/17/19/46/343171946.db2.gz IXOGKTXDHKMXNF-NSHDSACASA-N 0 3 239.323 0.302 20 0 BCADHN Cc1cc(CNC(=O)[C@@H]2C[C@@H](C)CCN2)no1 ZINC000127056554 343172241 /nfs/dbraw/zinc/17/22/41/343172241.db2.gz OMIMQQQKWIHOIQ-KWQFWETISA-N 0 3 237.303 0.987 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@H]1C[C@H](O)C1(C)C ZINC000128522805 343175046 /nfs/dbraw/zinc/17/50/46/343175046.db2.gz GOPKDAKRUCQQML-DCAQKATOSA-N 0 3 242.363 0.896 20 0 BCADHN COCCn1cc(NC(=O)C2(N)CCC2)cn1 ZINC000147756367 343198379 /nfs/dbraw/zinc/19/83/79/343198379.db2.gz UXHGFEWRDFHVAF-UHFFFAOYSA-N 0 3 238.291 0.349 20 0 BCADHN CN(CCc1ccccn1)C(=O)C1(N)CCC1 ZINC000147510559 343198400 /nfs/dbraw/zinc/19/84/00/343198400.db2.gz BMVQRBBZNYLAKX-UHFFFAOYSA-N 0 3 233.315 0.964 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2ccc(N)cn2)C1 ZINC000156845981 343198659 /nfs/dbraw/zinc/19/86/59/343198659.db2.gz DDQABYQWALVNGC-JTQLQIEISA-N 0 3 248.330 0.735 20 0 BCADHN CO[C@@]1(CNC[C@@H](O)C(F)(F)F)CCOC1 ZINC000159124126 343201722 /nfs/dbraw/zinc/20/17/22/343201722.db2.gz LMCQTYKSGFNGRN-HTQZYQBOSA-N 0 3 243.225 0.305 20 0 BCADHN CN[C@@H](C)C(=O)NCCC(=O)NC(C)(C)C ZINC000163251259 343206376 /nfs/dbraw/zinc/20/63/76/343206376.db2.gz HISIVTDFBDMART-QMMMGPOBSA-N 0 3 229.324 0.015 20 0 BCADHN CC(C)(C)NC(=O)CN[C@H]1C[C@H](O)C1(C)C ZINC000163391591 343206668 /nfs/dbraw/zinc/20/66/68/343206668.db2.gz BXWXNGDUNYYKKH-IUCAKERBSA-N 0 3 228.336 0.650 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1NC[C@H](O)C(F)(F)F ZINC000163416705 343206920 /nfs/dbraw/zinc/20/69/20/343206920.db2.gz YXRGICUESPXVNM-XVMARJQXSA-N 0 3 227.226 0.659 20 0 BCADHN C[C@H](O)C[C@H](C)NC[C@H](O)C(F)(F)F ZINC000164721348 343207569 /nfs/dbraw/zinc/20/75/69/343207569.db2.gz KHVJDMGFPTVCIY-ACZMJKKPSA-N 0 3 215.215 0.659 20 0 BCADHN C[C@H](C[C@H](C)O)NC[C@H](O)C(F)(F)F ZINC000164721471 343207682 /nfs/dbraw/zinc/20/76/82/343207682.db2.gz KHVJDMGFPTVCIY-VQVTYTSYSA-N 0 3 215.215 0.659 20 0 BCADHN CNCc1ccccc1NC(=O)CN(C)C ZINC000167891755 343209347 /nfs/dbraw/zinc/20/93/47/343209347.db2.gz VNSGADINALOYOS-UHFFFAOYSA-N 0 3 221.304 0.906 20 0 BCADHN Cn1cc(CCN2CCC[C@](C)(O)C2)nn1 ZINC000625280350 343218195 /nfs/dbraw/zinc/21/81/95/343218195.db2.gz LPQLHGDLRSTDFQ-NSHDSACASA-N 0 3 224.308 0.204 20 0 BCADHN CCOCCN(C)CCc1cn(C)nn1 ZINC000625280185 343218977 /nfs/dbraw/zinc/21/89/77/343218977.db2.gz ANPWFWXAVUQBTQ-UHFFFAOYSA-N 0 3 212.297 0.326 20 0 BCADHN C[C@@H]1CN(CCc2cn(C)nn2)[C@@H](C)CN1C ZINC000625281442 343219037 /nfs/dbraw/zinc/21/90/37/343219037.db2.gz IOIRRJAHSVUVTC-MNOVXSKESA-N 0 3 237.351 0.382 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1CCc1cn(C)nn1 ZINC000625281445 343219289 /nfs/dbraw/zinc/21/92/89/343219289.db2.gz IOIRRJAHSVUVTC-WDEREUQCSA-N 0 3 237.351 0.382 20 0 BCADHN C[C@@H]1CN(CCOC2CCOCC2)C[C@H]1O ZINC000625283184 343219402 /nfs/dbraw/zinc/21/94/02/343219402.db2.gz OLIGOODUWUAUSK-ZYHUDNBSSA-N 0 3 229.320 0.495 20 0 BCADHN CCOCCN(C)C[C@H](O)CC1(O)CCC1 ZINC000625284039 343220146 /nfs/dbraw/zinc/22/01/46/343220146.db2.gz RSHNJVCJDODIBJ-LLVKDONJSA-N 0 3 231.336 0.621 20 0 BCADHN CC(C)(C)NC(=O)CCNC(=O)CNC1CC1 ZINC000135434011 343192859 /nfs/dbraw/zinc/19/28/59/343192859.db2.gz QUZCXTIFOTWCFF-UHFFFAOYSA-N 0 3 241.335 0.159 20 0 BCADHN C[C@H](NC(=O)CNC1CC1)C(=O)NC(C)(C)C ZINC000135433863 343192882 /nfs/dbraw/zinc/19/28/82/343192882.db2.gz LZXAQWQNXZOQNA-QMMMGPOBSA-N 0 3 241.335 0.158 20 0 BCADHN Cc1ccc(C(=O)NC[C@@H]2CNCCO2)c(C)n1 ZINC000134255416 343193888 /nfs/dbraw/zinc/19/38/88/343193888.db2.gz CRFNTOYFMFJABA-NSHDSACASA-N 0 3 249.314 0.417 20 0 BCADHN CN1CCC[C@H](NC(=O)c2cc(=O)[nH]cn2)C1 ZINC000625297336 343225349 /nfs/dbraw/zinc/22/53/49/343225349.db2.gz LFDGLCXIAALRGV-QMMMGPOBSA-N 0 3 236.275 0.006 20 0 BCADHN COc1cncc(CN[C@@H](C)[C@@H](C)CO)n1 ZINC000625325383 343232962 /nfs/dbraw/zinc/23/29/62/343232962.db2.gz IEXBTBIVAHGRNT-IUCAKERBSA-N 0 3 225.292 0.592 20 0 BCADHN CC(C)(C)CNC(=O)CNC(C)(C)CC(N)=O ZINC000625324835 343233005 /nfs/dbraw/zinc/23/30/05/343233005.db2.gz XHDBORREYKUCTK-UHFFFAOYSA-N 0 3 243.351 0.392 20 0 BCADHN CCO[C@H](CN(C)[C@@]1(CO)CCOC1)C1CC1 ZINC000625321605 343234387 /nfs/dbraw/zinc/23/43/87/343234387.db2.gz QEUQBGGYPJRUBC-CHWSQXEVSA-N 0 3 243.347 0.885 20 0 BCADHN CCOC[C@H](O)CN(CC)CCOC ZINC000068950611 343254801 /nfs/dbraw/zinc/25/48/01/343254801.db2.gz UMLBMPJINICJEH-SNVBAGLBSA-N 0 3 205.298 0.352 20 0 BCADHN CN(CCn1ccnc1)[C@H]1CCCCNC1=O ZINC000161553416 136277360 /nfs/dbraw/zinc/27/73/60/136277360.db2.gz BRSKDNIJFAMKEV-NSHDSACASA-N 0 3 236.319 0.484 20 0 BCADHN C[C@H]1CN(CCOC2CCOCC2)CC[C@H]1O ZINC000625350792 343245670 /nfs/dbraw/zinc/24/56/70/343245670.db2.gz ZANNWZZAYDLDKR-WCQYABFASA-N 0 3 243.347 0.885 20 0 BCADHN Cn1cc(CCN2CC[C@H](O)C(C)(C)C2)nn1 ZINC000625360288 343248646 /nfs/dbraw/zinc/24/86/46/343248646.db2.gz CAAMBFDAORLSKS-NSHDSACASA-N 0 3 238.335 0.450 20 0 BCADHN CCN(C)CCN[C@@H]1CCCS(=O)(=O)C1 ZINC000068940377 343253402 /nfs/dbraw/zinc/25/34/02/343253402.db2.gz YWHFZCMGWSLZBD-SNVBAGLBSA-N 0 3 234.365 0.105 20 0 BCADHN COC[C@@H](C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000068939340 343253539 /nfs/dbraw/zinc/25/35/39/343253539.db2.gz FRAYWSKKRYCJJS-RKDXNWHRSA-N 0 3 221.322 0.188 20 0 BCADHN COc1cc(CNC[C@H](C)O)cc(OC)c1O ZINC000035111377 343284821 /nfs/dbraw/zinc/28/48/21/343284821.db2.gz OTKPNDMNDVEZAT-QMMMGPOBSA-N 0 3 241.287 0.880 20 0 BCADHN CCC[C@H](N)c1cn(Cc2cc[nH]n2)nn1 ZINC000641049828 362156643 /nfs/dbraw/zinc/15/66/43/362156643.db2.gz SJANQZCKFXXFBU-VIFPVBQESA-N 0 3 220.280 0.849 20 0 BCADHN COC[C@@H](N)Cc1cn(CCCCCF)nn1 ZINC000641048322 362158966 /nfs/dbraw/zinc/15/89/66/362158966.db2.gz GBBMQWYOCHDYAG-JTQLQIEISA-N 0 3 244.314 0.934 20 0 BCADHN CC[C@@H](N)c1cn([C@@H]2CCCNC2=O)nn1 ZINC000641052175 362161548 /nfs/dbraw/zinc/16/15/48/362161548.db2.gz QPNLOYRUWIANNM-VXNVDRBHSA-N 0 3 223.280 0.139 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2ccncc2)C1 ZINC000309328354 343271263 /nfs/dbraw/zinc/27/12/63/343271263.db2.gz ADIDWUGRRUDJSM-GFCCVEGCSA-N 0 3 219.288 0.792 20 0 BCADHN O=C1NCC[C@H]1n1cc(CNC2CCCC2)nn1 ZINC000641044678 362152421 /nfs/dbraw/zinc/15/24/21/362152421.db2.gz BBGSXKQLYCNBTJ-LLVKDONJSA-N 0 3 249.318 0.371 20 0 BCADHN NCC(=O)NCc1nnc(-c2ccccc2)s1 ZINC000083939695 136287494 /nfs/dbraw/zinc/28/74/94/136287494.db2.gz DSPNTWIOQGDSRB-UHFFFAOYSA-N 0 3 248.311 0.780 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)C1CC(C)(O)C1 ZINC000335615120 136296064 /nfs/dbraw/zinc/29/60/64/136296064.db2.gz BKQCFZFMLCZSML-AKJDGMEZSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2c[nH]nn2)nn1 ZINC000641056408 362165643 /nfs/dbraw/zinc/16/56/43/362165643.db2.gz JGRULQNTYCPMHO-VIFPVBQESA-N 0 3 221.268 0.028 20 0 BCADHN CCC[C@H](N)C(=O)NCCc1ccccn1 ZINC000036873002 343325858 /nfs/dbraw/zinc/32/58/58/343325858.db2.gz NFFUMJGPWSWCJA-NSHDSACASA-N 0 3 221.304 0.868 20 0 BCADHN C[C@H](Cn1cccn1)NC(=O)[C@@H]1CCCCN1 ZINC000036999136 343330007 /nfs/dbraw/zinc/33/00/07/343330007.db2.gz YGKDBKVBEWBLOO-MNOVXSKESA-N 0 3 236.319 0.530 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H](C)Cn1cccn1 ZINC000036999155 343330140 /nfs/dbraw/zinc/33/01/40/343330140.db2.gz BDYNBHVTDICAHK-UWVGGRQHSA-N 0 3 224.308 0.371 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000037018280 343330658 /nfs/dbraw/zinc/33/06/58/343330658.db2.gz DLRVEDHXPVNJCK-NKWVEPMBSA-N 0 3 249.270 0.692 20 0 BCADHN CO[C@H](C)CN1CCN2CCOC[C@H]2C1 ZINC000348767726 136297968 /nfs/dbraw/zinc/29/79/68/136297968.db2.gz XQBJBNGRWJLKCZ-GHMZBOCLSA-N 0 3 214.309 0.038 20 0 BCADHN CCS(=O)(=O)NCCCN1CCCC1 ZINC000069902215 343293800 /nfs/dbraw/zinc/29/38/00/343293800.db2.gz BPUPTRCZCVWZRV-UHFFFAOYSA-N 0 3 220.338 0.412 20 0 BCADHN COCCN1CC[C@H](NC(=O)C2=CCCC2)C1 ZINC000348768349 136298252 /nfs/dbraw/zinc/29/82/52/136298252.db2.gz IXQWAGRDNWVEGD-LBPRGKRZSA-N 0 3 238.331 0.934 20 0 BCADHN C([C@@H]1CCOC1)N1CCN2CCOC[C@@H]2C1 ZINC000348769168 136298287 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240.347 0.748 20 0 BCADHN CN1CCC[C@H](NCc2cccc(C(N)=O)c2)C1 ZINC000071138658 343620905 /nfs/dbraw/zinc/62/09/05/343620905.db2.gz YURDFLLIAPYPFE-ZDUSSCGKSA-N 0 3 247.342 0.969 20 0 BCADHN CCOCCCC(=O)NC[C@H](C)N(C)C ZINC000047856613 343606657 /nfs/dbraw/zinc/60/66/57/343606657.db2.gz FAKNBWXFUGDVII-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN CCOC[C@@H](C)NC[C@@H]1CN(C)CCO1 ZINC000086005386 343608161 /nfs/dbraw/zinc/60/81/61/343608161.db2.gz JDXLHEBPNIUAHL-GHMZBOCLSA-N 0 3 216.325 0.332 20 0 BCADHN CC(C)[C@H](CO)NCC(=O)N(C)C1CC1 ZINC000086123412 343610989 /nfs/dbraw/zinc/61/09/89/343610989.db2.gz CIXIWXKGLNJZNS-JTQLQIEISA-N 0 3 214.309 0.214 20 0 BCADHN CC(C)[C@H](CO)N[C@@H]1CCCS(=O)(=O)C1 ZINC000086122336 343611173 /nfs/dbraw/zinc/61/11/73/343611173.db2.gz QEGUKJHYVXQBKV-ZJUUUORDSA-N 0 3 235.349 0.170 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@H](CO)C(C)C ZINC000086124759 343611589 /nfs/dbraw/zinc/61/15/89/343611589.db2.gz PSWPUSBRAZHWJJ-VHSXEESVSA-N 0 3 216.325 0.508 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000152895391 343611627 /nfs/dbraw/zinc/61/16/27/343611627.db2.gz WYRDHZPEJSOPCO-UTUOFQBUSA-N 0 3 234.299 0.498 20 0 BCADHN CC(C)[C@H](CO)NCC(=O)NCC1CC1 ZINC000086124142 343611689 /nfs/dbraw/zinc/61/16/89/343611689.db2.gz FRWXMQDLDQSDOH-JTQLQIEISA-N 0 3 214.309 0.119 20 0 BCADHN COCCNCC(=O)N[C@@H](C)CC(C)C ZINC000086157946 343612721 /nfs/dbraw/zinc/61/27/21/343612721.db2.gz HETJRQJBPCVSCY-JTQLQIEISA-N 0 3 216.325 0.773 20 0 BCADHN COCCNCC(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000086158444 343612790 /nfs/dbraw/zinc/61/27/90/343612790.db2.gz LUSFJACVFLVKKO-UWVGGRQHSA-N 0 3 214.309 0.337 20 0 BCADHN COCCNCC(=O)N[C@@H]1CCC[C@H]1C ZINC000086158278 343612831 /nfs/dbraw/zinc/61/28/31/343612831.db2.gz ZLNCCEHJXMHBRX-NXEZZACHSA-N 0 3 214.309 0.527 20 0 BCADHN COC[C@@](C)(CO)NCCC(=O)OC(C)(C)C ZINC000602930644 349822457 /nfs/dbraw/zinc/82/24/57/349822457.db2.gz AFVBVPFWFPFVQE-GFCCVEGCSA-N 0 3 247.335 0.705 20 0 BCADHN CN(CC(=O)N1CCOCC1)CC1(C)CC1 ZINC000683825865 488226960 /nfs/dbraw/zinc/22/69/60/488226960.db2.gz PDELRIACPMDLOW-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN OC[C@H]1CCCN(CCOCC(F)F)C1 ZINC000188669685 349825536 /nfs/dbraw/zinc/82/55/36/349825536.db2.gz SABQUQJHNBLDAI-VIFPVBQESA-N 0 3 223.263 0.972 20 0 BCADHN CCOC(=O)CCN1C[C@H](OC)C[C@]1(C)CO ZINC000602963892 349826156 /nfs/dbraw/zinc/82/61/56/349826156.db2.gz JQNNJCBSWAQXKT-ZYHUDNBSSA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)CCCN1C[C@@H](OC)C[C@]1(C)CO ZINC000602963771 349826194 /nfs/dbraw/zinc/82/61/94/349826194.db2.gz IKBJSIFKMUWERP-CMPLNLGQSA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)CCN1C[C@@H](OC)C[C@]1(C)CO ZINC000602963835 349826207 /nfs/dbraw/zinc/82/62/07/349826207.db2.gz JBSPCYSUBDSEIJ-GXSJLCMTSA-N 0 3 231.292 0.021 20 0 BCADHN O=S1(=O)CCC[C@H]1CNCc1cc[nH]c1 ZINC000087970483 343676219 /nfs/dbraw/zinc/67/62/19/343676219.db2.gz PNDJOZIRHGDXIC-JTQLQIEISA-N 0 3 228.317 0.682 20 0 BCADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)N(C)C ZINC000126078961 343678337 /nfs/dbraw/zinc/67/83/37/343678337.db2.gz YQUIWZSGIPWVTM-UWVGGRQHSA-N 0 3 213.325 0.940 20 0 BCADHN CC(C)OCCN(C)CCOCCO ZINC000087782670 343661323 /nfs/dbraw/zinc/66/13/23/343661323.db2.gz ZDAIJZFNSZULBH-UHFFFAOYSA-N 0 3 205.298 0.352 20 0 BCADHN COC(=O)C1(CNCc2cn[nH]c2)CC1 ZINC000380017944 343670900 /nfs/dbraw/zinc/67/09/00/343670900.db2.gz VAXLARFEMKUZCS-UHFFFAOYSA-N 0 3 209.249 0.453 20 0 BCADHN CN1CCCN(C(=O)C2(N)CCC2)CC1 ZINC000088050179 343698672 /nfs/dbraw/zinc/69/86/72/343698672.db2.gz VTRGBYCABCLNNV-UHFFFAOYSA-N 0 3 211.309 0.032 20 0 BCADHN CN1CC[C@](O)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC000492627866 529809260 /nfs/dbraw/zinc/80/92/60/529809260.db2.gz VSOHZESUSZBYOU-GFUIURDCSA-N 0 3 240.347 0.772 20 0 BCADHN CSC1CCN(C(=O)[C@@H](C)N)CC1 ZINC000083945395 343687364 /nfs/dbraw/zinc/68/73/64/343687364.db2.gz VHPJWMMMEJUNKD-SSDOTTSWSA-N 0 3 202.323 0.688 20 0 BCADHN c1nc2c([nH]1)CN(CCc1cn[nH]c1)CC2 ZINC000625434891 343735795 /nfs/dbraw/zinc/73/57/95/343735795.db2.gz KKQLEZRSDRIJFR-UHFFFAOYSA-N 0 3 217.276 0.734 20 0 BCADHN Nc1nc(N)nc(N2C[C@@H]3CCCC[C@@H]32)n1 ZINC000624376591 343742761 /nfs/dbraw/zinc/74/27/61/343742761.db2.gz VRSGJJIYHIDQNE-BQBZGAKWSA-N 0 3 220.280 0.076 20 0 BCADHN CCOCCCCNC(=O)CNC1CC1 ZINC000154152291 343710165 /nfs/dbraw/zinc/71/01/65/343710165.db2.gz CZWHXJMQSKYDNF-UHFFFAOYSA-N 0 3 214.309 0.671 20 0 BCADHN CN(CC(=O)N(C)C)C[C@H]1CCSC1 ZINC000495056415 529825059 /nfs/dbraw/zinc/82/50/59/529825059.db2.gz CGVAUSYFIRGXGC-SECBINFHSA-N 0 3 216.350 0.760 20 0 BCADHN CN1C[C@H](CN2CCC[C@@H]2C(C)(C)O)OC1=O ZINC000496763910 529825286 /nfs/dbraw/zinc/82/52/86/529825286.db2.gz OSJJCQKPTJLSHN-NXEZZACHSA-N 0 3 242.319 0.672 20 0 BCADHN CN1C[C@H](CN2CCC[C@@H]2CCCO)OC1=O ZINC000496766040 529825322 /nfs/dbraw/zinc/82/53/22/529825322.db2.gz IAKGESIMSBZHKA-GHMZBOCLSA-N 0 3 242.319 0.674 20 0 BCADHN CN1C[C@H](CN2CCC[C@H](CO)C2)OC1=O ZINC000496429754 529825511 /nfs/dbraw/zinc/82/55/11/529825511.db2.gz KHAOJBXAFXSPSG-VHSXEESVSA-N 0 3 228.292 0.141 20 0 BCADHN CN1C[C@H](CN2CCC[C@H]2C(C)(C)O)OC1=O ZINC000496763913 529825707 /nfs/dbraw/zinc/82/57/07/529825707.db2.gz OSJJCQKPTJLSHN-ZJUUUORDSA-N 0 3 242.319 0.672 20 0 BCADHN C[C@]1(CNC(=O)CNC2CC2)CCCC[C@H]1O ZINC000154451144 343715852 /nfs/dbraw/zinc/71/58/52/343715852.db2.gz TVLRFVYLVSSVDA-DGCLKSJQSA-N 0 3 240.347 0.796 20 0 BCADHN COCC1(Nc2nc(N)nc(N)n2)CCCC1 ZINC000624386039 343744691 /nfs/dbraw/zinc/74/46/91/343744691.db2.gz YJLMAZYHSSDZER-UHFFFAOYSA-N 0 3 238.295 0.068 20 0 BCADHN CN1C[C@@H](CN2CCC[C@H]2CCO)OC1=O ZINC000495653318 529817630 /nfs/dbraw/zinc/81/76/30/529817630.db2.gz RCRXAHDLFZDDMT-UWVGGRQHSA-N 0 3 228.292 0.284 20 0 BCADHN CN1C[C@@H](CN2CCC[C@@](C)(O)CC2)OC1=O ZINC000496715927 529817658 /nfs/dbraw/zinc/81/76/58/529817658.db2.gz DOHINJIYOZDVOT-CMPLNLGQSA-N 0 3 242.319 0.674 20 0 BCADHN CC(C)(C)C[C@@H]1C[C@H]1Nc1nc(N)nc(N)n1 ZINC000624348876 343729095 /nfs/dbraw/zinc/72/90/95/343729095.db2.gz BRAFDHMQELZBLR-NKWVEPMBSA-N 0 3 236.323 0.355 20 0 BCADHN COc1cncc(CN2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000625447180 343771776 /nfs/dbraw/zinc/77/17/76/343771776.db2.gz ZVVUKFYVZNSANQ-JQWIXIFHSA-N 0 3 248.330 0.621 20 0 BCADHN C[C@H]1C[C@@H](C(=O)Nc2ccncc2[O-])CC[NH2+]1 ZINC000577060891 365797713 /nfs/dbraw/zinc/79/77/13/365797713.db2.gz SDFGTTHOOMUTNQ-IUCAKERBSA-N 0 3 235.287 0.536 20 0 BCADHN Cc1noc(CCN[C@@H]2CCO[C@@H]2C)n1 ZINC000089518779 343747436 /nfs/dbraw/zinc/74/74/36/343747436.db2.gz JYFAYFSYHDTVAM-VXNVDRBHSA-N 0 3 211.265 0.688 20 0 BCADHN CS(=O)(=O)N1CCCc2cccc(CN)c21 ZINC000624388467 343749329 /nfs/dbraw/zinc/74/93/29/343749329.db2.gz YOCJDQGBUFQFDY-UHFFFAOYSA-N 0 3 240.328 0.858 20 0 BCADHN CC[C@@H](O)CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000309089697 346963839 /nfs/dbraw/zinc/96/38/39/346963839.db2.gz CXEPSTXPKMELEG-SFYZADRCSA-N 0 3 227.226 0.756 20 0 BCADHN Cn1cc(CCN2CCC[C@@H](O)CC2)nn1 ZINC000625450017 343777866 /nfs/dbraw/zinc/77/78/66/343777866.db2.gz SXZYEIQELKPGIV-LLVKDONJSA-N 0 3 224.308 0.204 20 0 BCADHN CC(C)N(CCc1cn(C)nn1)[C@H]1CCOC1 ZINC000625444736 343762686 /nfs/dbraw/zinc/76/26/86/343762686.db2.gz OWPZZSOJDXKXGD-LBPRGKRZSA-N 0 3 238.335 0.857 20 0 BCADHN CN(C[C@H]1CC1(C)C)c1nc(N)nc(N)n1 ZINC000624410986 343763410 /nfs/dbraw/zinc/76/34/10/343763410.db2.gz PIXYVJAYDGANSU-ZCFIWIBFSA-N 0 3 222.296 0.179 20 0 BCADHN CN1CCC[C@H](NC(=O)COc2cccnc2)C1 ZINC000590309841 346966082 /nfs/dbraw/zinc/96/60/82/346966082.db2.gz BBKBDBHVLRUGHA-NSHDSACASA-N 0 3 249.314 0.671 20 0 BCADHN CC(C)OCCCNC(=O)NCCN(C)C ZINC000179211878 346976685 /nfs/dbraw/zinc/97/66/85/346976685.db2.gz QCZZSEBUFCWPRU-UHFFFAOYSA-N 0 3 231.340 0.662 20 0 BCADHN CCOC(=O)CCCN1C[C@@H]2C[C@]2(O)C1 ZINC000603088620 349866291 /nfs/dbraw/zinc/86/62/91/349866291.db2.gz NWPHTQYSWYQHRF-ONGXEEELSA-N 0 3 213.277 0.396 20 0 BCADHN CC(C)(C)OC(=O)CCN1C[C@H]2C[C@@]2(O)C1 ZINC000603090843 349866592 /nfs/dbraw/zinc/86/65/92/349866592.db2.gz SELPEDGNXDDJOM-BXKDBHETSA-N 0 3 227.304 0.785 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1cn(C)cn1 ZINC000179360815 346981930 /nfs/dbraw/zinc/98/19/30/346981930.db2.gz HEPHTFPAHMZRTJ-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN CC(C)NC(=O)CN(C)[C@]1(CO)CC[C@H](C)C1 ZINC000187944030 259371254 /nfs/dbraw/zinc/37/12/54/259371254.db2.gz DZNYWLCLUZFXGO-WCQYABFASA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)N[C@H]1CNCCC1(F)F ZINC000418750381 192066276 /nfs/dbraw/zinc/06/62/76/192066276.db2.gz OCTFVHMBXXBQMY-PRJMDXOYSA-N 0 3 233.262 0.691 20 0 BCADHN CCC[C@@H](C(=O)N(C)C[C@H](C)O)N(C)C ZINC000179706817 346994066 /nfs/dbraw/zinc/99/40/66/346994066.db2.gz UCTYCCDYPPEQPZ-UWVGGRQHSA-N 0 3 216.325 0.556 20 0 BCADHN CNC(=O)OC[C@H]1CCCCN1CCO ZINC000495639035 529892590 /nfs/dbraw/zinc/89/25/90/529892590.db2.gz IMNVTFWGYSGCOM-SECBINFHSA-N 0 3 216.281 0.189 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1C(=O)NC[C@H]1CNCCO1 ZINC000418770098 192067069 /nfs/dbraw/zinc/06/70/69/192067069.db2.gz QMFNHAIWZKPRDM-GMTAPVOTSA-N 0 3 241.335 0.557 20 0 BCADHN CCCC(C)(C)NC(=O)NC[C@H]1CNCCO1 ZINC000418764035 192067175 /nfs/dbraw/zinc/06/71/75/192067175.db2.gz KLZHRTUMBARHHO-SNVBAGLBSA-N 0 3 243.351 0.853 20 0 BCADHN CN(CCNC(=O)OC(C)(C)C)CCC(N)=O ZINC000496387630 529915831 /nfs/dbraw/zinc/91/58/31/529915831.db2.gz UDGNPYQKBLBRJK-UHFFFAOYSA-N 0 3 245.323 0.318 20 0 BCADHN CC(=O)NCCN(C)CCOC1CCOCC1 ZINC000625507610 343898164 /nfs/dbraw/zinc/89/81/64/343898164.db2.gz LPULRIOJGFHRLN-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN Cn1cnc2c1ncnc2N1CCCN(C)CC1 ZINC000624496143 343911675 /nfs/dbraw/zinc/91/16/75/343911675.db2.gz KBBRIKAXWMRHSB-UHFFFAOYSA-N 0 3 246.318 0.505 20 0 BCADHN O=c1ccccn1CCN1CC[C@@H](CO)C1 ZINC000096832981 343905872 /nfs/dbraw/zinc/90/58/72/343905872.db2.gz ADUJHBSHFDBTPZ-LLVKDONJSA-N 0 3 222.288 0.163 20 0 BCADHN CN(C)CCNC(=O)C1(C)CCOCC1 ZINC000624491237 343909499 /nfs/dbraw/zinc/90/94/99/343909499.db2.gz UPWWXMKWBFKOFG-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN C[S@](=O)C1(CNCc2cn[nH]c2)CC1 ZINC000393685439 343910990 /nfs/dbraw/zinc/91/09/90/343910990.db2.gz YABUAXZYTWVRIM-AWEZNQCLSA-N 0 3 213.306 0.410 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)/C=C\c1ncc[nH]1 ZINC000493125045 529949260 /nfs/dbraw/zinc/94/92/60/529949260.db2.gz XDAKHYCMKRSPMB-GZTOBOFZSA-N 0 3 248.330 0.976 20 0 BCADHN CCCCN(C)CCNC(=O)c1cccnn1 ZINC000625516802 343915298 /nfs/dbraw/zinc/91/52/98/343915298.db2.gz DUCIAODPCHLRAK-UHFFFAOYSA-N 0 3 236.319 0.938 20 0 BCADHN CCC[C@H](CCO)NC[C@@H](C)S(C)(=O)=O ZINC000634723736 343920189 /nfs/dbraw/zinc/92/01/89/343920189.db2.gz BSXOCLHCAHLPFB-NXEZZACHSA-N 0 3 237.365 0.560 20 0 BCADHN CNC(C)(C)c1cn([C@@H](C)c2n[nH]c(C)n2)nn1 ZINC000641178883 362255810 /nfs/dbraw/zinc/25/58/10/362255810.db2.gz DQCAYSFHPZRDMQ-ZETCQYMHSA-N 0 3 249.322 0.768 20 0 BCADHN CNC(C)(C)c1cn([C@@H](C)c2nnc(C)[nH]2)nn1 ZINC000641178883 362255817 /nfs/dbraw/zinc/25/58/17/362255817.db2.gz DQCAYSFHPZRDMQ-ZETCQYMHSA-N 0 3 249.322 0.768 20 0 BCADHN Cc1nc([C@H](C)n2cc(CCN(C)C)nn2)n[nH]1 ZINC000641180118 362256092 /nfs/dbraw/zinc/25/60/92/362256092.db2.gz RNFKVHWVLDIQJJ-QMMMGPOBSA-N 0 3 249.322 0.418 20 0 BCADHN CCO[C@@H](CN1CCC(O)(CO)CC1)C1CC1 ZINC000625536759 343924823 /nfs/dbraw/zinc/92/48/23/343924823.db2.gz JFYRZZPZENWCCS-LBPRGKRZSA-N 0 3 243.347 0.621 20 0 BCADHN Cn1cc(CCN2C[C@@H]3COC[C@@]3(C)C2)nn1 ZINC000625538705 343925241 /nfs/dbraw/zinc/92/52/41/343925241.db2.gz NUMHLMBTNXYFEC-ZYHUDNBSSA-N 0 3 236.319 0.326 20 0 BCADHN CCN(Cc1ccncc1)C[C@H](O)COC ZINC000068891137 343928539 /nfs/dbraw/zinc/92/85/39/343928539.db2.gz CUGPXQJEPXUSIC-LBPRGKRZSA-N 0 3 224.304 0.911 20 0 BCADHN O=C1[C@H](NCC2(O)CCC2)C[C@@H]2CCCCN12 ZINC000570626241 323065033 /nfs/dbraw/zinc/06/50/33/323065033.db2.gz AYLIKEBWQQDFKD-WDEREUQCSA-N 0 3 238.331 0.644 20 0 BCADHN CCc1nc([C@H](C)n2cc([C@H](N)CC)nn2)n[nH]1 ZINC000641205049 362269223 /nfs/dbraw/zinc/26/92/23/362269223.db2.gz GZRVAVFWZSVILO-JGVFFNPUSA-N 0 3 249.322 0.978 20 0 BCADHN C[C@H](O)CNC[C@@H](n1cncn1)C(F)(F)F ZINC000634726586 343952092 /nfs/dbraw/zinc/95/20/92/343952092.db2.gz WMHZLWATCFGFKV-NKWVEPMBSA-N 0 3 238.213 0.352 20 0 BCADHN CCNCc1cn([C@@H](C)c2n[nH]c(CC)n2)nn1 ZINC000641210552 362273605 /nfs/dbraw/zinc/27/36/05/362273605.db2.gz WFFLARNVOSAVSS-QMMMGPOBSA-N 0 3 249.322 0.677 20 0 BCADHN CCNCc1cn([C@@H](C)c2nnc(CC)[nH]2)nn1 ZINC000641210552 362273612 /nfs/dbraw/zinc/27/36/12/362273612.db2.gz WFFLARNVOSAVSS-QMMMGPOBSA-N 0 3 249.322 0.677 20 0 BCADHN CC[C@@](C)(O)Cn1cc(CCN(C)C)nn1 ZINC000641216014 362275572 /nfs/dbraw/zinc/27/55/72/362275572.db2.gz CMVGIFMVMRWUGP-LLVKDONJSA-N 0 3 226.324 0.543 20 0 BCADHN CC(=O)[C@](C)(O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000641217909 362277688 /nfs/dbraw/zinc/27/76/88/362277688.db2.gz RUYNPCGJGBMMII-GHMZBOCLSA-N 0 3 240.307 0.274 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000309771811 343965802 /nfs/dbraw/zinc/96/58/02/343965802.db2.gz KQUNIKOSPLJFOA-RKDXNWHRSA-N 0 3 243.332 0.383 20 0 BCADHN CCOC(=O)C[C@H](O)CN[C@@H]1COCC1(C)C ZINC000312993855 343965841 /nfs/dbraw/zinc/96/58/41/343965841.db2.gz PGPLEKZWGCTTBD-VHSXEESVSA-N 0 3 245.319 0.315 20 0 BCADHN CN(CC1(C)COC1)[C@@H]1CCCN(C)C1=O ZINC000625792332 344075821 /nfs/dbraw/zinc/07/58/21/344075821.db2.gz VMBNAPBKVSYREN-SNVBAGLBSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H](C(=O)N(C)C)N(C)CC1(C)COC1 ZINC000625786750 344074134 /nfs/dbraw/zinc/07/41/34/344074134.db2.gz LCKPPISHRYLNKH-VIFPVBQESA-N 0 3 214.309 0.431 20 0 BCADHN Cc1cc(CN2C[C@@H](CO)[C@H](CO)C2)ccn1 ZINC000625706358 344050063 /nfs/dbraw/zinc/05/00/63/344050063.db2.gz CTBAOVKUDXAQQT-STQMWFEESA-N 0 3 236.315 0.423 20 0 BCADHN O[C@H]1CN([C@@H]2C=CCCCCC2)C[C@@H]1O ZINC000625713177 344051083 /nfs/dbraw/zinc/05/10/83/344051083.db2.gz PFHSLGFBGDSYDU-WOPDTQHZSA-N 0 3 211.305 0.913 20 0 BCADHN CC1(NC(=O)N[C@H]2CCN(C3CC3)C2)COC1 ZINC000636790230 349900016 /nfs/dbraw/zinc/90/00/16/349900016.db2.gz MCTWDJQLQBDIFC-VIFPVBQESA-N 0 3 239.319 0.311 20 0 BCADHN CO[C@H](CN1C[C@H](O)[C@@H](O)C1)C1CCCCC1 ZINC000625713476 344052159 /nfs/dbraw/zinc/05/21/59/344052159.db2.gz FXRLNDOYZMJUBB-RWMBFGLXSA-N 0 3 243.347 0.619 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000129852755 344075222 /nfs/dbraw/zinc/07/52/22/344075222.db2.gz IRWLVQDHVBPGOC-MWLCHTKSSA-N 0 3 249.314 0.867 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](CCO)C(C)C ZINC000129816162 344064319 /nfs/dbraw/zinc/06/43/19/344064319.db2.gz BGZSUJIFDZUBGZ-BDAKNGLRSA-N 0 3 202.298 0.247 20 0 BCADHN O=C(CCOC1CNC1)N[C@H]1CCCOCC1 ZINC000570675393 323066834 /nfs/dbraw/zinc/06/68/34/323066834.db2.gz JOARQMVTDZCYHI-JTQLQIEISA-N 0 3 242.319 0.050 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000130009301 344102499 /nfs/dbraw/zinc/10/24/99/344102499.db2.gz JEPPGQAJQYHORS-XHNCKOQMSA-N 0 3 202.298 0.247 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000130032913 344104565 /nfs/dbraw/zinc/10/45/65/344104565.db2.gz SNBRLCANBHUBIH-CKYFFXLPSA-N 0 3 228.336 0.781 20 0 BCADHN CNC(=O)CN(C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000187974045 259372543 /nfs/dbraw/zinc/37/25/43/259372543.db2.gz VIRWSZZOJKJXIH-KOLCDFICSA-N 0 3 214.309 0.215 20 0 BCADHN CN(CCNC(=O)c1cn(C2CC2)nn1)C1CC1 ZINC000624597443 344085692 /nfs/dbraw/zinc/08/56/92/344085692.db2.gz HJCXIACISGACPI-UHFFFAOYSA-N 0 3 249.318 0.437 20 0 BCADHN CN(C[C@@H]1CN(C)C(=O)O1)C1CCOCC1 ZINC000496777710 529957378 /nfs/dbraw/zinc/95/73/78/529957378.db2.gz NEZGKGQUUCAJPX-SNVBAGLBSA-N 0 3 228.292 0.548 20 0 BCADHN NS(=O)(=O)CCCN(C1CC1)C1CC1 ZINC000625838439 344091567 /nfs/dbraw/zinc/09/15/67/344091567.db2.gz CNRSTCCINJPQPH-UHFFFAOYSA-N 0 3 218.322 0.292 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccn(CCCOC)n1 ZINC000129918285 344092297 /nfs/dbraw/zinc/09/22/97/344092297.db2.gz CECRBUPUOIVGQR-SECBINFHSA-N 0 3 240.307 0.595 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cnn(CC(F)F)c1 ZINC000129925436 344094481 /nfs/dbraw/zinc/09/44/81/344094481.db2.gz DKRWGCSPXHHVPR-SSDOTTSWSA-N 0 3 232.234 0.824 20 0 BCADHN CCN(CCO)C(=O)CN(C)C(C)C ZINC000129940483 344094800 /nfs/dbraw/zinc/09/48/00/344094800.db2.gz ZFNVZFLQPNUPCF-UHFFFAOYSA-N 0 3 202.298 0.167 20 0 BCADHN CC(C)CSc1nnnn1CCN(C)C ZINC000079693551 344118151 /nfs/dbraw/zinc/11/81/51/344118151.db2.gz FOSUSWCFLKTYRQ-UHFFFAOYSA-N 0 3 229.353 0.983 20 0 BCADHN C[C@H](CNC(=O)C1(C)CCOCC1)N(C)C ZINC000588638185 344165165 /nfs/dbraw/zinc/16/51/65/344165165.db2.gz XITYYNXEHHNMAH-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CCn1cncc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634744854 344166366 /nfs/dbraw/zinc/16/63/66/344166366.db2.gz NDWBXFBHXCCARG-PHIMTYICSA-N 0 3 221.304 0.981 20 0 BCADHN Cc1c[nH]nc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634745963 344170756 /nfs/dbraw/zinc/17/07/56/344170756.db2.gz ZNHRICGWCBMQLM-AOOOYVTPSA-N 0 3 207.277 0.796 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccn(CC(F)F)n1 ZINC000130155936 344119145 /nfs/dbraw/zinc/11/91/45/344119145.db2.gz VUFJRCAMFYPSSS-ZCFIWIBFSA-N 0 3 232.234 0.824 20 0 BCADHN O=C(N1CCCNCC1)[C@]12CCC[C@H]1OCC2 ZINC000634735541 344123835 /nfs/dbraw/zinc/12/38/35/344123835.db2.gz JRWJCSDVWLNCPV-YPMHNXCESA-N 0 3 238.331 0.768 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cn2c(cccc2C)n1 ZINC000130495976 344142998 /nfs/dbraw/zinc/14/29/98/344142998.db2.gz YNRGDVCLCXMABJ-LLVKDONJSA-N 0 3 246.314 0.996 20 0 BCADHN COC(=O)c1cnc(SCCN(C)C)cn1 ZINC000234566046 344144989 /nfs/dbraw/zinc/14/49/89/344144989.db2.gz QCMVDVMYOUCQIV-UHFFFAOYSA-N 0 3 241.316 0.917 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000634739036 344152483 /nfs/dbraw/zinc/15/24/83/344152483.db2.gz HMMKLJMSHKMMPY-AXFHLTTASA-N 0 3 238.331 0.764 20 0 BCADHN CN(C[C@@H]1CCOC1)[C@H]1CCCCN(C)C1=O ZINC000634739142 344155878 /nfs/dbraw/zinc/15/58/78/344155878.db2.gz KCFZKIXQJXZJOY-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CN(CC1(C)COC1)[C@H]1CCCCN(C)C1=O ZINC000634739961 344162121 /nfs/dbraw/zinc/16/21/21/344162121.db2.gz KITNCDMYDBSIHJ-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCOCCCCNC(=O)[C@H](N)CC ZINC000129315787 344211786 /nfs/dbraw/zinc/21/17/86/344211786.db2.gz DEJOLRRSGCHIMU-SECBINFHSA-N 0 3 202.298 0.657 20 0 BCADHN COC[C@@H](C)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000129941892 344215528 /nfs/dbraw/zinc/21/55/28/344215528.db2.gz NJJBEMZRLFTYTO-NXEZZACHSA-N 0 3 214.309 0.620 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)[C@H](N)CC ZINC000129895938 344216740 /nfs/dbraw/zinc/21/67/40/344216740.db2.gz FSHGTDDOEHWRAU-HTQZYQBOSA-N 0 3 216.281 0.039 20 0 BCADHN Cc1nccc(CNCC2(O)CCC2)n1 ZINC000130788784 344225673 /nfs/dbraw/zinc/22/56/73/344225673.db2.gz HZYUGTBPWAJCHY-UHFFFAOYSA-N 0 3 207.277 0.790 20 0 BCADHN CN1CC[C@@](O)(CNc2ncncc2Cl)C1 ZINC000336752484 537841076 /nfs/dbraw/zinc/84/10/76/537841076.db2.gz DJUXPUGILCXXHV-SNVBAGLBSA-N 0 3 242.710 0.030 20 0 BCADHN CCN(Cc1ccccn1)C(=O)C1(N)CC1 ZINC000087331423 344231957 /nfs/dbraw/zinc/23/19/57/344231957.db2.gz QFPAYVSRBPRDGF-UHFFFAOYSA-N 0 3 219.288 0.921 20 0 BCADHN CC(C)NCC(=O)N(C)CCOCC1CC1 ZINC000087399628 344233675 /nfs/dbraw/zinc/23/36/75/344233675.db2.gz GMIPRRSAYOWEIC-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN COC[C@H](C)CNC1CN(C(=O)OC)C1 ZINC000188136529 259374103 /nfs/dbraw/zinc/37/41/03/259374103.db2.gz WIHUCBFVXUZLPG-MRVPVSSYSA-N 0 3 216.281 0.309 20 0 BCADHN CSC[C@H](C)C(=O)N[C@@H](CO)CN(C)C ZINC000588864809 344195805 /nfs/dbraw/zinc/19/58/05/344195805.db2.gz SDBDBDVPWCWMCW-DTWKUNHWSA-N 0 3 234.365 0.024 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)/C=C/c1ncc[nH]1 ZINC000493125047 529966134 /nfs/dbraw/zinc/96/61/34/529966134.db2.gz XDAKHYCMKRSPMB-MVIFTORASA-N 0 3 248.330 0.976 20 0 BCADHN CN(C)CC1(NCc2ncnn2C)CCC1 ZINC000336759052 537843739 /nfs/dbraw/zinc/84/37/39/537843739.db2.gz IOFDWXODWMTSRP-UHFFFAOYSA-N 0 3 223.324 0.389 20 0 BCADHN CN(C)CCn1cc(NC(=O)NC2CC2)cn1 ZINC000127384407 344270831 /nfs/dbraw/zinc/27/08/31/344270831.db2.gz VMVGPKKBCDBXMA-UHFFFAOYSA-N 0 3 237.307 0.729 20 0 BCADHN NC(C(=O)N[C@H]1CCSC1)C(F)(F)F ZINC000306589548 344282779 /nfs/dbraw/zinc/28/27/79/344282779.db2.gz OKBJAKIPDANOSK-CRCLSJGQSA-N 0 3 228.239 0.498 20 0 BCADHN CCN1CCCN(c2nccnc2C(N)=O)CC1 ZINC000641365002 362377726 /nfs/dbraw/zinc/37/77/26/362377726.db2.gz LCJCCGSRBQZNSO-UHFFFAOYSA-N 0 3 249.318 0.108 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)CCO ZINC000132248156 344289736 /nfs/dbraw/zinc/28/97/36/344289736.db2.gz UJEDXLHTDRGMBY-RKDXNWHRSA-N 0 3 223.338 0.170 20 0 BCADHN CO[C@H](CN1CCC[C@H]1C(N)=O)C1CCC1 ZINC000625869318 344241526 /nfs/dbraw/zinc/24/15/26/344241526.db2.gz HIFBGBXGWXIXTG-WDEREUQCSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@](O)(CN1C[C@@H]2COC[C@@H]2C1)C(F)(F)F ZINC000634779286 344311559 /nfs/dbraw/zinc/31/15/59/344311559.db2.gz KKKZAJNRGQKOTQ-YIZRAAEISA-N 0 3 239.237 0.878 20 0 BCADHN FC(F)COCCN1C[C@@H]2COC[C@@H]2C1 ZINC000634779953 344317854 /nfs/dbraw/zinc/31/78/54/344317854.db2.gz MLYCYQBOITUDHQ-DTORHVGOSA-N 0 3 221.247 0.846 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634782196 344324439 /nfs/dbraw/zinc/32/44/39/344324439.db2.gz FCXJNWLMGZSVKP-FIQHERPVSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@H](NC(=O)CN)c1ccc2c(c1)OCO2 ZINC000034979699 344326915 /nfs/dbraw/zinc/32/69/15/344326915.db2.gz LCCMLLSSPUPCCZ-ZETCQYMHSA-N 0 3 222.244 0.551 20 0 BCADHN C[C@H](CO)NC(=O)NC1CCN(C2CC2)CC1 ZINC000048541316 344327193 /nfs/dbraw/zinc/32/71/93/344327193.db2.gz LTEBRXZRRVENMR-SECBINFHSA-N 0 3 241.335 0.293 20 0 BCADHN CC[C@@H](C)NC(=O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634783584 344328224 /nfs/dbraw/zinc/32/82/24/344328224.db2.gz GVIPNKDVUQJGGJ-MXWKQRLJSA-N 0 3 226.320 0.479 20 0 BCADHN CC(C)CNC(=O)CN[C@@H](C)[C@@H]1CCCO1 ZINC000035735915 344331362 /nfs/dbraw/zinc/33/13/62/344331362.db2.gz BZMLMTLANCIADW-QWRGUYRKSA-N 0 3 228.336 0.916 20 0 BCADHN CC(C)CNC(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000035735916 344331579 /nfs/dbraw/zinc/33/15/79/344331579.db2.gz BZMLMTLANCIADW-MNOVXSKESA-N 0 3 228.336 0.916 20 0 BCADHN CNS(=O)(=O)CCCN1C2CCC1CC2 ZINC000600623854 344342665 /nfs/dbraw/zinc/34/26/65/344342665.db2.gz ORMAVAAYWLLTHK-UHFFFAOYSA-N 0 3 232.349 0.553 20 0 BCADHN CCOCCOCC(=O)NCCN(C)C1CC1 ZINC000144552059 344354837 /nfs/dbraw/zinc/35/48/37/344354837.db2.gz QBPVNVHBVGXERR-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN Cc1cc(C)n(CCN2CCC[C@@H](O)C2)n1 ZINC000068783268 362380893 /nfs/dbraw/zinc/38/08/93/362380893.db2.gz VURLVDLVEHLEPO-GFCCVEGCSA-N 0 3 223.320 0.957 20 0 BCADHN C[C@H]1CCN(CC(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634776372 344299366 /nfs/dbraw/zinc/29/93/66/344299366.db2.gz TYEZSVQGVMGLTP-SDDRHHMPSA-N 0 3 238.331 0.433 20 0 BCADHN C[C@@H]1[C@@H](C)CCN1CC(=O)N1CCN(C)CC1 ZINC000093178711 344310311 /nfs/dbraw/zinc/31/03/11/344310311.db2.gz LBMSABPWOQZGLO-NWDGAFQWSA-N 0 3 239.363 0.491 20 0 BCADHN Cc1nnc(NC(=O)[C@@H](C)NC2CC2)n1C ZINC000584290181 344424952 /nfs/dbraw/zinc/42/49/52/344424952.db2.gz JOLRGJZUQMTVEP-ZCFIWIBFSA-N 0 3 223.280 0.203 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H](F)C1 ZINC000584292733 344427734 /nfs/dbraw/zinc/42/77/34/344427734.db2.gz IAFREQMEOLSHLF-UYXSQOIJSA-N 0 3 200.257 0.731 20 0 BCADHN CCCN1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC000389317340 344430194 /nfs/dbraw/zinc/43/01/94/344430194.db2.gz FXPJGFSNFLWWIU-JTQLQIEISA-N 0 3 231.303 0.666 20 0 BCADHN CN(Cc1cc[nH]n1)C(=O)[C@@H](N)C1CCC1 ZINC000400140377 344372178 /nfs/dbraw/zinc/37/21/78/344372178.db2.gz XYBYQBNQSHXUDU-JTQLQIEISA-N 0 3 222.292 0.496 20 0 BCADHN COCc1cc(N2CCN[C@@H](C)C2)ncn1 ZINC000634808250 344393264 /nfs/dbraw/zinc/39/32/64/344393264.db2.gz NGEJJUIXNZWIMT-VIFPVBQESA-N 0 3 222.292 0.421 20 0 BCADHN C[C@@H]1C[C@@H](N=c2ncnc3[nH][n-]cc2-3)CC[NH2+]1 ZINC000634808277 344393368 /nfs/dbraw/zinc/39/33/68/344393368.db2.gz NUKWYSQJWDUOAD-SFYZADRCSA-N 0 3 232.291 0.279 20 0 BCADHN CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cnn[n-]1 ZINC000605519526 344406105 /nfs/dbraw/zinc/40/61/05/344406105.db2.gz SZKZZKKHNFUZDU-VIFPVBQESA-N 0 3 237.307 0.409 20 0 BCADHN COC(=O)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000040859757 344408588 /nfs/dbraw/zinc/40/85/88/344408588.db2.gz BUXMSKNBQUHDOO-MRVPVSSYSA-N 0 3 216.281 0.039 20 0 BCADHN CCC[C@H](N)C(=O)NCc1nccs1 ZINC000041013483 344412021 /nfs/dbraw/zinc/41/20/21/344412021.db2.gz GETAAVNGWSJKLX-ZETCQYMHSA-N 0 3 213.306 0.887 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)C[C@H](C)OC ZINC000380503254 344412042 /nfs/dbraw/zinc/41/20/42/344412042.db2.gz GHDVPVCHYJZSQK-VHSXEESVSA-N 0 3 233.308 0.267 20 0 BCADHN CC(C)(C)[C@@H](NC[C@H]1CCCO1)C(N)=O ZINC000041051715 344416422 /nfs/dbraw/zinc/41/64/22/344416422.db2.gz XZPGTAIGHJXQTG-BDAKNGLRSA-N 0 3 214.309 0.655 20 0 BCADHN CCC[C@H](N)C(=O)NCCn1ccnc1 ZINC000041051041 344416456 /nfs/dbraw/zinc/41/64/56/344416456.db2.gz VKQFJNVWSAAQAB-VIFPVBQESA-N 0 3 210.281 0.127 20 0 BCADHN Cc1ccnc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)n1 ZINC000408287568 344448674 /nfs/dbraw/zinc/44/86/74/344448674.db2.gz RWVGCAALLFUYAA-QWRGUYRKSA-N 0 3 248.330 0.998 20 0 BCADHN COC(=O)CCN1CCN(CC2CC2)CC1 ZINC000042338181 344451019 /nfs/dbraw/zinc/45/10/19/344451019.db2.gz IYPBGZBUNOSODQ-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CC(C)(C)O ZINC000408289586 344451446 /nfs/dbraw/zinc/45/14/46/344451446.db2.gz DVRKZXLUIIBOHO-MWLCHTKSSA-N 0 3 240.347 0.746 20 0 BCADHN CCN(CC)CC(=O)N1CCCNCC1 ZINC000042354426 344451458 /nfs/dbraw/zinc/45/14/58/344451458.db2.gz 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247.298 0.881 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000037030304 344487015 /nfs/dbraw/zinc/48/70/15/344487015.db2.gz DQAOSEMRDPEAAX-VIFPVBQESA-N 0 3 249.314 0.603 20 0 BCADHN O=C(CN1CCNCC1)NCC1CCCCC1 ZINC000037250542 344497560 /nfs/dbraw/zinc/49/75/60/344497560.db2.gz JBMVZGPUFRTLKX-UHFFFAOYSA-N 0 3 239.363 0.588 20 0 BCADHN CCN1CCC(NC(=O)COC)CC1 ZINC000044019799 344534133 /nfs/dbraw/zinc/53/41/33/344534133.db2.gz ACJQYNUOUNYSDA-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN CN[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000048775864 344574679 /nfs/dbraw/zinc/57/46/79/344574679.db2.gz QCEDMCQYFWFEAP-LBPRGKRZSA-N 0 3 247.342 0.943 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCC1(CCO)CC1 ZINC000358488835 344554282 /nfs/dbraw/zinc/55/42/82/344554282.db2.gz BAVHSXTXVAKOCG-SNVBAGLBSA-N 0 3 243.351 0.398 20 0 BCADHN COCCCN(C)CCNC(=O)[C@@H](C)SC ZINC000152419269 344554483 /nfs/dbraw/zinc/55/44/83/344554483.db2.gz FOSGADOMKOCFMD-SNVBAGLBSA-N 0 3 248.392 0.822 20 0 BCADHN 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209.293 0.586 20 0 BCADHN CC1(C)CN(CCn2cccn2)C[C@H]1O ZINC000279705093 346258748 /nfs/dbraw/zinc/25/87/48/346258748.db2.gz HJQXKGOQBUFUNF-SNVBAGLBSA-N 0 3 209.293 0.586 20 0 BCADHN C[C@@H](CC[S@@](C)=O)NC1CSC1 ZINC000307937421 346261792 /nfs/dbraw/zinc/26/17/92/346261792.db2.gz AIPCWEHDPWFWAM-JVXZTZIISA-N 0 3 207.364 0.849 20 0 BCADHN CC1(CN[C@H](CO)CC(F)(F)F)COC1 ZINC000641745092 362667467 /nfs/dbraw/zinc/66/74/67/362667467.db2.gz NGAUMMIRECGJCK-ZETCQYMHSA-N 0 3 227.226 0.926 20 0 BCADHN O=C1C[C@H]2CC[C@@H](CN1)N2CCn1cccn1 ZINC000332690938 537963686 /nfs/dbraw/zinc/96/36/86/537963686.db2.gz SILVIOVUHWRWHW-MNOVXSKESA-N 0 3 234.303 0.236 20 0 BCADHN CC[C@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H](C)CN ZINC000419098203 192099659 /nfs/dbraw/zinc/09/96/59/192099659.db2.gz QVJXZLSKQIVPQI-GUBZILKMSA-N 0 3 241.335 0.145 20 0 BCADHN C[C@@H](O)CCCNCc1ccncc1N ZINC000641750825 362672381 /nfs/dbraw/zinc/67/23/81/362672381.db2.gz NUQNCGFMGDKQPQ-SECBINFHSA-N 0 3 209.293 0.914 20 0 BCADHN Nc1cnccc1CN[C@@]1(CCO)CCOC1 ZINC000641750166 362671105 /nfs/dbraw/zinc/67/11/05/362671105.db2.gz IIURHXNYMZZQNI-LBPRGKRZSA-N 0 3 237.303 0.295 20 0 BCADHN CC[C@@H](N)C(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000152918380 346280241 /nfs/dbraw/zinc/28/02/41/346280241.db2.gz HVFDRIDYEAWQHC-ZJUUUORDSA-N 0 3 230.352 0.883 20 0 BCADHN CC1(C)CN(C(=O)C(F)(F)F)CCN1 ZINC000062570211 346281829 /nfs/dbraw/zinc/28/18/29/346281829.db2.gz FFNXZIFCCJDJBY-UHFFFAOYSA-N 0 3 210.199 0.759 20 0 BCADHN C[C@@](O)(CO)CNCc1cccc(F)c1N ZINC000641752766 362677450 /nfs/dbraw/zinc/67/74/50/362677450.db2.gz OFTJBYOHSBEFEN-NSHDSACASA-N 0 3 228.267 0.241 20 0 BCADHN Cc1cccc(C)c1CN1C[C@H](O)[C@@H](O)C1 ZINC000235814534 179034292 /nfs/dbraw/zinc/03/42/92/179034292.db2.gz DRTWUESTZFZBSC-STQMWFEESA-N 0 3 221.300 0.841 20 0 BCADHN CC1(C)CN(CCN2CCOCC2)C[C@H]1O ZINC000387798274 347090084 /nfs/dbraw/zinc/09/00/84/347090084.db2.gz NMRQCKREDQZWEX-LLVKDONJSA-N 0 3 228.336 0.021 20 0 BCADHN Nc1cnccc1CNCC1(CCO)CC1 ZINC000641747383 362673877 /nfs/dbraw/zinc/67/38/77/362673877.db2.gz IPQKULBJUOXSCN-UHFFFAOYSA-N 0 3 221.304 0.916 20 0 BCADHN CC[C@@H](NCc1ccncc1N)[C@H](C)O ZINC000641758172 362687918 /nfs/dbraw/zinc/68/79/18/362687918.db2.gz JQPWVOWIEGMXLG-GZMMTYOYSA-N 0 3 209.293 0.913 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](C)c1cnccn1 ZINC000636147641 346334751 /nfs/dbraw/zinc/33/47/51/346334751.db2.gz SQLCEEBLQSFLTK-JTQLQIEISA-N 0 3 236.319 0.994 20 0 BCADHN COC[C@H](O)CNCc1ccc2c(n1)CCC2 ZINC000641755063 362683496 /nfs/dbraw/zinc/68/34/96/362683496.db2.gz ZRIGTGVWADJCDG-GFCCVEGCSA-N 0 3 236.315 0.667 20 0 BCADHN CCN(C(=O)CC(=O)NC)[C@H]1CCN(CC)C1 ZINC000617924899 346318754 /nfs/dbraw/zinc/31/87/54/346318754.db2.gz AROQNOQXVYVJGI-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CCN(C(=O)CC(=O)NC)[C@@H]1CCN(CC)C1 ZINC000617924900 346318830 /nfs/dbraw/zinc/31/88/30/346318830.db2.gz AROQNOQXVYVJGI-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CC(C)(CNCc1ccncc1N)OCCO ZINC000641755152 362683933 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PIOIHDSMPDKJAT-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN Nc1cnccc1CN[C@H](CO)C1CCC1 ZINC000641771266 362709817 /nfs/dbraw/zinc/70/98/17/362709817.db2.gz AYWUIOOHMPIDHO-GFCCVEGCSA-N 0 3 221.304 0.914 20 0 BCADHN C[C@@H]1C[C@H](NCc2ccncc2N)CO1 ZINC000641766538 362699462 /nfs/dbraw/zinc/69/94/62/362699462.db2.gz AIFUHPKHXLAMLJ-SCZZXKLOSA-N 0 3 207.277 0.931 20 0 BCADHN Cc1nc[nH]c1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000636238754 346365168 /nfs/dbraw/zinc/36/51/68/346365168.db2.gz HGWNKJZFBSNJSC-JTQLQIEISA-N 0 3 236.319 0.788 20 0 BCADHN Nc1cnccc1CNCCN1CCCC1=O ZINC000641769539 362704132 /nfs/dbraw/zinc/70/41/32/362704132.db2.gz KQXOMWLZROSEKZ-UHFFFAOYSA-N 0 3 234.303 0.376 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000157179425 346377374 /nfs/dbraw/zinc/37/73/74/346377374.db2.gz UIZATJWCNSVLLB-PPKCKEKNSA-N 0 3 220.272 0.108 20 0 BCADHN CN1CCOC[C@H]1CNCc1ccncc1N ZINC000641774547 362713960 /nfs/dbraw/zinc/71/39/60/362713960.db2.gz QAYJCMZURHPKHI-LLVKDONJSA-N 0 3 236.319 0.084 20 0 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ZINC000574914816 346412233 /nfs/dbraw/zinc/41/22/33/346412233.db2.gz LWAONMHJYYPMHN-HBNTYKKESA-N 0 3 215.293 0.559 20 0 BCADHN CCn1nccc1CNC[C@@](C)(O)COC ZINC000309941339 323123250 /nfs/dbraw/zinc/12/32/50/323123250.db2.gz BSPCHFXACOVJAI-LLVKDONJSA-N 0 3 227.308 0.390 20 0 BCADHN Cc1cccc(CN2C[C@@H](O)[C@H](CO)C2)c1 ZINC000317659431 179084861 /nfs/dbraw/zinc/08/48/61/179084861.db2.gz MTYYFPHIDMYNIU-QWHCGFSZSA-N 0 3 221.300 0.780 20 0 BCADHN CCOCCC(=O)NC[C@H]1CCCN1C ZINC000170856082 346462616 /nfs/dbraw/zinc/46/26/16/346462616.db2.gz DFQQWZRMHATRNK-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H](OC)C1 ZINC000171115152 346463996 /nfs/dbraw/zinc/46/39/96/346463996.db2.gz REBZDHPCMXHMAO-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H]1CCCN(CC(=O)N2CCCC2)[C@H]1CO ZINC000334346396 346470945 /nfs/dbraw/zinc/47/09/45/346470945.db2.gz VXVBSONLHRGTBV-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H]([NH3+])CCC(=O)Nc1ccncc1[O-] ZINC000580831820 346474198 /nfs/dbraw/zinc/47/41/98/346474198.db2.gz HZRUUMNURIFDEH-SSDOTTSWSA-N 0 3 209.249 0.275 20 0 BCADHN CCCN(CC(=O)NC)CC(C)(C)O ZINC000170915572 346479766 /nfs/dbraw/zinc/47/97/66/346479766.db2.gz VRKUYVPXKUJCGR-UHFFFAOYSA-N 0 3 202.298 0.215 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cnn1 ZINC000332906315 346481719 /nfs/dbraw/zinc/48/17/19/346481719.db2.gz CGZWBDJCTANCFO-PWSUYJOCSA-N 0 3 248.330 0.998 20 0 BCADHN CN(Cc1cn2c(n1)CCCC2)C(=O)C1(N)CC1 ZINC000580063840 346502967 /nfs/dbraw/zinc/50/29/67/346502967.db2.gz VOZLCNFIOXSATF-UHFFFAOYSA-N 0 3 248.330 0.669 20 0 BCADHN CN1CC[C@@H](c2nc([C@@H]3CCOC3)no2)C1 ZINC000349737162 537982093 /nfs/dbraw/zinc/98/20/93/537982093.db2.gz DAYOQKBIIITTGI-RKDXNWHRSA-N 0 3 223.276 0.993 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H]1CO[C@@H](C)C1)N(C)C ZINC000580078594 346512914 /nfs/dbraw/zinc/51/29/14/346512914.db2.gz HUYWXZJUWXFVMV-AXFHLTTASA-N 0 3 228.336 0.866 20 0 BCADHN CC[C@@H]1CN(CC[C@H]2CCNC2=O)CCO1 ZINC000580615167 365819129 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0.315 20 0 BCADHN CCOC[C@H](O)CN1CC[C@H](C)[C@@H](O)C1 ZINC000299891411 347150341 /nfs/dbraw/zinc/15/03/41/347150341.db2.gz RCKUXPXEUHRIEA-AXFHLTTASA-N 0 3 217.309 0.087 20 0 BCADHN CC[C@H](O)CN[C@@H]1CC(=O)N(C(C)C)C1 ZINC000582057627 347152912 /nfs/dbraw/zinc/15/29/12/347152912.db2.gz XMZPJDGJKYFAIF-ZJUUUORDSA-N 0 3 214.309 0.356 20 0 BCADHN C[C@H](O)CN1CCC(N2CN=NC2=O)CC1 ZINC000582070176 347169525 /nfs/dbraw/zinc/16/95/25/347169525.db2.gz AZBXKOMTAOEFEM-QMMMGPOBSA-N 0 3 226.280 0.001 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)c1nc(C)no1 ZINC000309769917 347159378 /nfs/dbraw/zinc/15/93/78/347159378.db2.gz KFZPGGWDZMSLDN-CAHLUQPWSA-N 0 3 212.253 0.293 20 0 BCADHN CC[C@@H](COC)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000382097064 347163085 /nfs/dbraw/zinc/16/30/85/347163085.db2.gz AOQFELMBZPIPPN-LPEHRKFASA-N 0 3 235.349 0.434 20 0 BCADHN CCOC(=O)C1(C)CC(N[C@@H]2COC[C@@H]2O)C1 ZINC000601292583 347164742 /nfs/dbraw/zinc/16/47/42/347164742.db2.gz YZQKSFGZARITQD-OWNCLDLKSA-N 0 3 243.303 0.068 20 0 BCADHN C[C@@H](NC(=O)N[C@H](CN)C(F)(F)F)C(F)F ZINC000641819778 362771349 /nfs/dbraw/zinc/77/13/49/362771349.db2.gz VYLFCOBZNIBONE-QWWZWVQMSA-N 0 3 249.183 0.829 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H](O)C(C)(C)C ZINC000305111959 187371973 /nfs/dbraw/zinc/37/19/73/187371973.db2.gz DEZKFXNLXJKIQS-SNVBAGLBSA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@@H](C)CN(CC)c1nc(N)nc(N)n1 ZINC000624020281 347197790 /nfs/dbraw/zinc/19/77/90/347197790.db2.gz LDDMNPPETWFZGR-SSDOTTSWSA-N 0 3 224.312 0.569 20 0 BCADHN OC[C@@H]1CSCCN1C[C@H]1CCCC[C@@H]1O ZINC000388135253 347204569 /nfs/dbraw/zinc/20/45/69/347204569.db2.gz FAZRACDEKLVXKY-UTUOFQBUSA-N 0 3 245.388 0.947 20 0 BCADHN CCc1nc(CN[C@@](C)(CO)C(C)C)n[nH]1 ZINC000309958827 347205617 /nfs/dbraw/zinc/20/56/17/347205617.db2.gz JZEMFMXIYFQEPY-NSHDSACASA-N 0 3 226.324 0.864 20 0 BCADHN COC[C@@H](N[C@H](CO)c1ccnn1C)C1CC1 ZINC000624018567 347170527 /nfs/dbraw/zinc/17/05/27/347170527.db2.gz TZLIBRSAUMXUMN-GHMZBOCLSA-N 0 3 239.319 0.468 20 0 BCADHN 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COc1cncc(CN[C@H](CO)[C@@H](C)O)c1C ZINC000631158555 347290682 /nfs/dbraw/zinc/29/06/82/347290682.db2.gz WOGXAPCXQJHXOW-MWLCHTKSSA-N 0 3 240.303 0.230 20 0 BCADHN CN(C)CCNC(=O)c1ccc(CO)cc1 ZINC000641965991 362813672 /nfs/dbraw/zinc/81/36/72/362813672.db2.gz BWMZJWMWWLGGIW-UHFFFAOYSA-N 0 3 222.288 0.470 20 0 BCADHN CNC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000601379623 347291993 /nfs/dbraw/zinc/29/19/93/347291993.db2.gz BEFCMGYYMUQNRJ-JGVFFNPUSA-N 0 3 217.338 0.303 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)C[C@H]2CNCCO2)C1 ZINC000300594500 347292921 /nfs/dbraw/zinc/29/29/21/347292921.db2.gz VFHMHEFQKGSKPZ-MXWKQRLJSA-N 0 3 242.319 0.049 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@@H](O)C(C)(C)C1 ZINC000388238416 347256894 /nfs/dbraw/zinc/25/68/94/347256894.db2.gz SWIXEHYGRIVSNE-GHMZBOCLSA-N 0 3 231.336 0.475 20 0 BCADHN C[C@H](c1nnnn1C)N1CCN2CCC[C@@H]2C1 ZINC000189224729 347299736 /nfs/dbraw/zinc/29/97/36/347299736.db2.gz IMLLXOXRNLZKFN-NXEZZACHSA-N 0 3 236.323 0.051 20 0 BCADHN Cc1nccn1CCN[C@H](C)CS(C)(=O)=O ZINC000081903464 347259207 /nfs/dbraw/zinc/25/92/07/347259207.db2.gz QBEOYMZGGISEEE-SECBINFHSA-N 0 3 245.348 0.214 20 0 BCADHN COC[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000019436833 347324344 /nfs/dbraw/zinc/32/43/44/347324344.db2.gz SXRGJKGTVAVGCO-IUCAKERBSA-N 0 3 202.298 0.511 20 0 BCADHN CNCC(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000082276252 347325667 /nfs/dbraw/zinc/32/56/67/347325667.db2.gz UTRPPJUOBKQRAE-SNVBAGLBSA-N 0 3 222.292 0.266 20 0 BCADHN CNC(=O)CCN(C)C[C@@H]1CC[C@@H](C)O1 ZINC000190508889 347330918 /nfs/dbraw/zinc/33/09/18/347330918.db2.gz WBHQFMJOUFFWNQ-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NC1(COC)CC1 ZINC000571394926 323143441 /nfs/dbraw/zinc/14/34/41/323143441.db2.gz BDNCFCTVBKUKDF-NXEZZACHSA-N 0 3 242.319 0.049 20 0 BCADHN CC1(CNC(=O)[C@]2(C)CCCCN2)COC1 ZINC000159580167 136731051 /nfs/dbraw/zinc/73/10/51/136731051.db2.gz WLCLILTUWZQFHF-LBPRGKRZSA-N 0 3 226.320 0.671 20 0 BCADHN CCOC(=O)CC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000082290142 347342963 /nfs/dbraw/zinc/34/29/63/347342963.db2.gz UWIKWWHNGVOVFS-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN COC[C@@H](O)CN1CC(C)(C)OC(C)(C)C1 ZINC000189651256 347306700 /nfs/dbraw/zinc/30/67/00/347306700.db2.gz LFIFHQRYHOBPFK-JTQLQIEISA-N 0 3 231.336 0.883 20 0 BCADHN Cc1nn(C)c(C)c1CCNC(=O)[C@H](C)N ZINC000082255808 347319381 /nfs/dbraw/zinc/31/93/81/347319381.db2.gz SDPZRLFHDSIYPP-ZETCQYMHSA-N 0 3 224.308 0.043 20 0 BCADHN CCN1CCCN([C@@H]2CCCC[C@@H]2O)CC1=O ZINC000190180330 347322079 /nfs/dbraw/zinc/32/20/79/347322079.db2.gz VSYCXXVOURPIKV-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN COCCCC(=O)N1CCN[C@H](C(C)C)C1 ZINC000621152473 347409127 /nfs/dbraw/zinc/40/91/27/347409127.db2.gz XPVPMRQBURPNGA-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN COc1ccc(CNC(C)(C)CO)cn1 ZINC000166802433 136745317 /nfs/dbraw/zinc/74/53/17/136745317.db2.gz JCTYIYKRNDFFJN-UHFFFAOYSA-N 0 3 210.277 0.951 20 0 BCADHN CC[C@@H](N)C(=O)NCC1([C@H](O)C(C)C)CC1 ZINC000571439145 323144943 /nfs/dbraw/zinc/14/49/43/323144943.db2.gz MJZFXRKYFDIJMQ-NXEZZACHSA-N 0 3 228.336 0.637 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000354625866 187374486 /nfs/dbraw/zinc/37/44/86/187374486.db2.gz TXZRPBIGRLOOMH-AXFHLTTASA-N 0 3 228.336 0.602 20 0 BCADHN Cn1ccc(CN2CCNC[C@@](C)(F)C2)n1 ZINC000582122211 347395552 /nfs/dbraw/zinc/39/55/52/347395552.db2.gz FRRSYOSQZQGDNY-LLVKDONJSA-N 0 3 226.299 0.554 20 0 BCADHN COCC(COC)NCc1cccn1C ZINC000388419396 347396700 /nfs/dbraw/zinc/39/67/00/347396700.db2.gz GRMFKDNWIPYDRT-UHFFFAOYSA-N 0 3 212.293 0.776 20 0 BCADHN COC[C@H](C)CNC(=O)C1(N)CCC1 ZINC000088050951 362841096 /nfs/dbraw/zinc/84/10/96/362841096.db2.gz FVJQBRKQILLHOR-MRVPVSSYSA-N 0 3 200.282 0.267 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)NCCC(=O)NC ZINC000354833533 187374948 /nfs/dbraw/zinc/37/49/48/187374948.db2.gz OAQUNQRTODGVMM-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN Cc1ccc(CNCCNS(C)(=O)=O)s1 ZINC000020203660 347424073 /nfs/dbraw/zinc/42/40/73/347424073.db2.gz MJKHGMJMVGHMLF-UHFFFAOYSA-N 0 3 248.373 0.695 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@H](C(C)C)C2)ncn1 ZINC000621155686 347424108 /nfs/dbraw/zinc/42/41/08/347424108.db2.gz KINBMCSWXROYIK-LBPRGKRZSA-N 0 3 248.330 0.855 20 0 BCADHN CN[C@@H](C)C(=O)N(C)Cc1nccs1 ZINC000388492807 347429417 /nfs/dbraw/zinc/42/94/17/347429417.db2.gz RHRZBNGGLFSSTK-ZETCQYMHSA-N 0 3 213.306 0.709 20 0 BCADHN NC1(C(=O)NC[C@@H]2CCCOC2)CCC1 ZINC000088050639 362840951 /nfs/dbraw/zinc/84/09/51/362840951.db2.gz KMBTWALRDBUPHQ-VIFPVBQESA-N 0 3 212.293 0.411 20 0 BCADHN CCOc1cc(CNCCO)ccc1O ZINC000020305905 347440841 /nfs/dbraw/zinc/44/08/41/347440841.db2.gz QOESDNWDIQDSPS-UHFFFAOYSA-N 0 3 211.261 0.873 20 0 BCADHN COCC(COC)NC[C@@H](O)COC(C)C ZINC000388525466 347443870 /nfs/dbraw/zinc/44/38/70/347443870.db2.gz ZMJGKWPSZKHCJC-LLVKDONJSA-N 0 3 235.324 0.023 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C)CCN1 ZINC000621156844 347445915 /nfs/dbraw/zinc/44/59/15/347445915.db2.gz JNEUCWHYQDTYRV-UTUOFQBUSA-N 0 3 240.347 0.868 20 0 BCADHN Cc1cnc(NC(=O)[C@@H]2C[C@H](O)CN2)s1 ZINC000020434294 347448622 /nfs/dbraw/zinc/44/86/22/347448622.db2.gz KPVQXGLLJJCNQZ-BQBZGAKWSA-N 0 3 227.289 0.113 20 0 BCADHN Cc1cnc(NC(=O)[C@H]2C[C@@H](O)CN2)s1 ZINC000020434293 347448695 /nfs/dbraw/zinc/44/86/95/347448695.db2.gz KPVQXGLLJJCNQZ-RNFRBKRXSA-N 0 3 227.289 0.113 20 0 BCADHN Cc1csc(NC(=O)[C@H]2C[C@H](O)CN2)n1 ZINC000020434472 347448794 /nfs/dbraw/zinc/44/87/94/347448794.db2.gz KMBIFNWKLVMUMB-NKWVEPMBSA-N 0 3 227.289 0.113 20 0 BCADHN CN(Cc1cnn(C)c1)C(=O)C1(N)CCC1 ZINC000088050530 362841291 /nfs/dbraw/zinc/84/12/91/362841291.db2.gz FEDWHBBBOWJEGG-UHFFFAOYSA-N 0 3 222.292 0.260 20 0 BCADHN CC(C)C[C@H](C)NC(=O)C(=O)N[C@H](C)CN ZINC000419226653 192106882 /nfs/dbraw/zinc/10/68/82/192106882.db2.gz RGAHNGUQURNBRB-DTWKUNHWSA-N 0 3 229.324 0.001 20 0 BCADHN CNC(=O)[C@H]1CCCCN1C[C@H](C)COC ZINC000189671260 347461536 /nfs/dbraw/zinc/46/15/36/347461536.db2.gz OYVOBTDTTJKVJT-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](CO)CNCc1cccc(C(N)=O)c1 ZINC000082394497 347463192 /nfs/dbraw/zinc/46/31/92/347463192.db2.gz MIEJGTJYJIVNNT-SECBINFHSA-N 0 3 222.288 0.504 20 0 BCADHN COCCOCCN(C)[C@H]1CCC(=O)N(C)C1 ZINC000571534427 323147168 /nfs/dbraw/zinc/14/71/68/323147168.db2.gz GACUFWBNUKXDCC-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@@H]1CC[C@H](O)C1)N(C)C ZINC000356630630 187376705 /nfs/dbraw/zinc/37/67/05/187376705.db2.gz XMBCDRVFKHIGHN-GRYCIOLGSA-N 0 3 242.363 0.850 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@H]([C@H](C)O)C1)N(C)C ZINC000357094345 187376801 /nfs/dbraw/zinc/37/68/01/187376801.db2.gz MDSIZSUZGZTQHA-SDDRHHMPSA-N 0 3 242.363 0.802 20 0 BCADHN CCN1CCN([C@@H]2CCN(C(C)=O)C2)CC1 ZINC000364735616 347504417 /nfs/dbraw/zinc/50/44/17/347504417.db2.gz HHZZNQFMBBKOTO-GFCCVEGCSA-N 0 3 225.336 0.245 20 0 BCADHN CC[C@@H](N[C@H]1CCC[C@H]1C(=O)OC)C(N)=O ZINC000590752087 347504554 /nfs/dbraw/zinc/50/45/54/347504554.db2.gz NEJBOFYAZLQYPV-HLTSFMKQSA-N 0 3 228.292 0.182 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@@H](C)NC1CC1 ZINC000382960330 347507962 /nfs/dbraw/zinc/50/79/62/347507962.db2.gz OHJVKYCBNOTEJM-JGVFFNPUSA-N 0 3 228.292 0.195 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)C[C@H]1CCCO1 ZINC000382975553 347518334 /nfs/dbraw/zinc/51/83/34/347518334.db2.gz SJZJDNHSNUFDMQ-MWLCHTKSSA-N 0 3 226.320 0.764 20 0 BCADHN CCOC(=O)COCCN1CC[C@@H](O)[C@H]1C ZINC000590762272 347526946 /nfs/dbraw/zinc/52/69/46/347526946.db2.gz OBDXENWJLDKHED-NXEZZACHSA-N 0 3 231.292 0.021 20 0 BCADHN Cc1ccccc1CC(=O)NC[C@H]1CNCCO1 ZINC000036284864 179259272 /nfs/dbraw/zinc/25/92/72/179259272.db2.gz FCIAEULUKYMWIC-CYBMUJFWSA-N 0 3 248.326 0.642 20 0 BCADHN COCC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617021969 347587970 /nfs/dbraw/zinc/58/79/70/347587970.db2.gz JWAXAZOBONYRLG-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN CC(=O)NCC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617022189 347588361 /nfs/dbraw/zinc/58/83/61/347588361.db2.gz QGKYPNMSAAFJPD-JTQLQIEISA-N 0 3 241.335 0.112 20 0 BCADHN COC(=O)CCN[C@@]1(CO)CCc2ccccc21 ZINC000591019823 347610479 /nfs/dbraw/zinc/61/04/79/347610479.db2.gz HGFKLFSVPUJULB-CQSZACIVSA-N 0 3 249.310 0.973 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CC[C@@H](C2CCC2)C1 ZINC000591061869 347612734 /nfs/dbraw/zinc/61/27/34/347612734.db2.gz LTHPEUCNGVPAHD-WCBMZHEXSA-N 0 3 239.319 0.692 20 0 BCADHN Cc1ccccc1CNCC(=O)N1CCOCC1 ZINC000037855370 179281595 /nfs/dbraw/zinc/28/15/95/179281595.db2.gz TVUGFVYYYSKMQC-UHFFFAOYSA-N 0 3 248.326 0.943 20 0 BCADHN COC(=O)C1(CNC(=O)C2(N)CC2)CCCC1 ZINC000591674409 347684522 /nfs/dbraw/zinc/68/45/22/347684522.db2.gz PCJAPXMUCNVMOD-UHFFFAOYSA-N 0 3 240.303 0.327 20 0 BCADHN COC(=O)[C@@H](NC(=O)CNC1CC1)C(C)(C)C ZINC000591671836 347684838 /nfs/dbraw/zinc/68/48/38/347684838.db2.gz LZEXEFSZSKAIEM-SNVBAGLBSA-N 0 3 242.319 0.442 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@H](n2ccnc2)C1 ZINC000591869408 347704521 /nfs/dbraw/zinc/70/45/21/347704521.db2.gz UIXXOSJEEHGZSZ-QWRGUYRKSA-N 0 3 236.319 0.784 20 0 BCADHN C[C@@H](Cn1cccn1)NCc1ccn(C)c(=O)c1 ZINC000591927397 347719749 /nfs/dbraw/zinc/71/97/49/347719749.db2.gz VZOGMQXYHHEHHM-NSHDSACASA-N 0 3 246.314 0.760 20 0 BCADHN Cc1ccccc1CNC(=O)C[C@H]1CNCCO1 ZINC000091300395 179278547 /nfs/dbraw/zinc/27/85/47/179278547.db2.gz GSZJOGLCHFWZEZ-ZDUSSCGKSA-N 0 3 248.326 0.990 20 0 BCADHN Cc1ncc(NC(=O)[C@H]2CCN(C)C2)cn1 ZINC000591458142 347664745 /nfs/dbraw/zinc/66/47/45/347664745.db2.gz YOFZBHQLBWKVNR-VIFPVBQESA-N 0 3 220.276 0.675 20 0 BCADHN CC[C@H](CN(CC(N)=O)CC(C)C)OC ZINC000419184206 192108219 /nfs/dbraw/zinc/10/82/19/192108219.db2.gz JMEWTGUWLLERPK-SNVBAGLBSA-N 0 3 216.325 0.855 20 0 BCADHN CC(C)N(C)CC(=O)N(C)Cc1nncn1C ZINC000360460473 187381022 /nfs/dbraw/zinc/38/10/22/187381022.db2.gz IKONMYTXFRFEAJ-UHFFFAOYSA-N 0 3 239.323 0.114 20 0 BCADHN Cc1nc(CSC[C@H]2CN(C)CCO2)n[nH]1 ZINC000592359035 347773630 /nfs/dbraw/zinc/77/36/30/347773630.db2.gz PKUKNZSEWIJMRO-SECBINFHSA-N 0 3 242.348 0.677 20 0 BCADHN CSC[C@H](O)CN[C@@H](C)[C@H](O)C(F)(F)F ZINC000592431307 347777927 /nfs/dbraw/zinc/77/79/27/347777927.db2.gz RSYHDAMRLJTWRV-XVMARJQXSA-N 0 3 247.282 0.612 20 0 BCADHN Cc1ccccc1CN[C@@H]1COC[C@H]1O ZINC000037894959 179284496 /nfs/dbraw/zinc/28/44/96/179284496.db2.gz UCXCLGLZCVMKPR-VXGBXAGGSA-N 0 3 207.273 0.844 20 0 BCADHN COC(=O)[C@@H]1CNCCCN1Cc1ccncc1 ZINC000592434460 347778220 /nfs/dbraw/zinc/77/82/20/347778220.db2.gz HLFVQESANYABRK-LBPRGKRZSA-N 0 3 249.314 0.419 20 0 BCADHN CSC[C@H](O)CN[C@H](CO)CC(F)F ZINC000592432866 347778421 /nfs/dbraw/zinc/77/84/21/347778421.db2.gz ZJLGDYYMSIQIOE-NKWVEPMBSA-N 0 3 229.292 0.316 20 0 BCADHN CCOC(=O)CCCNC(=O)[C@@H]1NCC1(C)C ZINC000591977134 347723961 /nfs/dbraw/zinc/72/39/61/347723961.db2.gz UCYYOXFLNYJRPV-JTQLQIEISA-N 0 3 242.319 0.444 20 0 BCADHN COC(=O)[C@@H]1CNCCCN1CCC(C)C ZINC000592436492 347779164 /nfs/dbraw/zinc/77/91/64/347779164.db2.gz YGVRDFZNYCDDOE-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H](CN[C@@H](C(N)=O)C(C)(C)C)OC ZINC000419230748 192108652 /nfs/dbraw/zinc/10/86/52/192108652.db2.gz YZJMXFHIJFLUCG-BDAKNGLRSA-N 0 3 216.325 0.901 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@H]2CCNC2=O)[C@@H]1SC ZINC000592167933 347746724 /nfs/dbraw/zinc/74/67/24/347746724.db2.gz QYVOWQMQQCPMAA-JLIMGVALSA-N 0 3 244.360 0.374 20 0 BCADHN COC(=O)[C@H]1C[C@H](O)CN(CCC(C)(C)O)C1 ZINC000592193081 347749007 /nfs/dbraw/zinc/74/90/07/347749007.db2.gz BJZPYNBATDNUGM-UWVGGRQHSA-N 0 3 245.319 0.003 20 0 BCADHN COC(=O)[C@H]1C[C@@H](O)CN(CCSC)C1 ZINC000592197248 347749787 /nfs/dbraw/zinc/74/97/87/347749787.db2.gz OOBZRUIPRUUACM-DTWKUNHWSA-N 0 3 233.333 0.205 20 0 BCADHN CCC[C@H](O)CN1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592194551 347750032 /nfs/dbraw/zinc/75/00/32/347750032.db2.gz PIYRDLBDAAZQAQ-GARJFASQSA-N 0 3 245.319 0.003 20 0 BCADHN COC(=O)[C@@H]1C[C@@H](O)CN(CCSC)C1 ZINC000592197250 347750039 /nfs/dbraw/zinc/75/00/39/347750039.db2.gz OOBZRUIPRUUACM-RKDXNWHRSA-N 0 3 233.333 0.205 20 0 BCADHN CC[C@H](CN1C[C@H](O)C[C@H](C(=O)OC)C1)OC ZINC000592195122 347750119 /nfs/dbraw/zinc/75/01/19/347750119.db2.gz QSOBKWIHONXDAY-HBNTYKKESA-N 0 3 245.319 0.267 20 0 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0 3 229.320 0.888 20 0 BCADHN C[C@H](CNC(=O)[C@H](N)CC(F)F)N1CCCC1 ZINC000383341382 348348488 /nfs/dbraw/zinc/34/84/88/348348488.db2.gz KQQPHOGUBWVMKQ-RKDXNWHRSA-N 0 3 249.305 0.569 20 0 BCADHN CCOC(=O)COCCN1CCC[C@@H]1[C@H](C)O ZINC000595765022 348334231 /nfs/dbraw/zinc/33/42/31/348334231.db2.gz GKTFEFURIZNBBV-WDEREUQCSA-N 0 3 245.319 0.411 20 0 BCADHN CCOC(=O)CCN1CC[C@@]2(O)C[C@H]2C1 ZINC000595767840 348334860 /nfs/dbraw/zinc/33/48/60/348334860.db2.gz PLRHXKZLFPLFPG-GXSJLCMTSA-N 0 3 213.277 0.396 20 0 BCADHN COC(=O)[C@@](C)(CCF)NC[C@H]1CCCN1C ZINC000595774687 348338067 /nfs/dbraw/zinc/33/80/67/348338067.db2.gz YBQLFGBVTYCRRV-ZYHUDNBSSA-N 0 3 246.326 0.962 20 0 BCADHN CC(C)[C@H](C(=O)NCC[C@H](C)O)N(C)C ZINC000126240827 187394417 /nfs/dbraw/zinc/39/44/17/187394417.db2.gz DJAXXIGDNDTUMG-VHSXEESVSA-N 0 3 216.325 0.460 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)NC1(CC(C)C)CC1 ZINC000595833471 348367455 /nfs/dbraw/zinc/36/74/55/348367455.db2.gz KHWXRWIBOIYDSP-VIFPVBQESA-N 0 3 241.335 0.999 20 0 BCADHN CC(C)CC1(N[C@@H](C)C(=O)NC(N)=O)CC1 ZINC000595834521 348368383 /nfs/dbraw/zinc/36/83/83/348368383.db2.gz PKRQUZNNKBRQTA-QMMMGPOBSA-N 0 3 227.308 0.738 20 0 BCADHN COC(=O)CCCN1CCC2(COC2)C1 ZINC000595834259 348368549 /nfs/dbraw/zinc/36/85/49/348368549.db2.gz NFPIASVHUHXMAC-UHFFFAOYSA-N 0 3 213.277 0.662 20 0 BCADHN Cc1nn(C)cc1CN(C[C@@H](C)O)[C@@H](C)CO ZINC000191215944 323184962 /nfs/dbraw/zinc/18/49/62/323184962.db2.gz INADBCRAJVCBEH-VHSXEESVSA-N 0 3 241.335 0.292 20 0 BCADHN COC(=O)CCN(C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595852650 348356664 /nfs/dbraw/zinc/35/66/64/348356664.db2.gz PEEWNBIBRKFPBN-DTORHVGOSA-N 0 3 229.276 0.433 20 0 BCADHN COC(=O)CN(C(=O)CN)C1CCCCC1 ZINC000595965929 348406972 /nfs/dbraw/zinc/40/69/72/348406972.db2.gz UNQXXMPEHGVUSI-UHFFFAOYSA-N 0 3 228.292 0.279 20 0 BCADHN COC(=O)C[C@@H](CNC(=O)C1(N)CC1)C1CC1 ZINC000595973294 348407920 /nfs/dbraw/zinc/40/79/20/348407920.db2.gz OZNNKDZWLOADBW-VIFPVBQESA-N 0 3 240.303 0.183 20 0 BCADHN Cc1nccn1CCNCc1cncn1C ZINC000263838966 187397481 /nfs/dbraw/zinc/39/74/81/187397481.db2.gz FOMNDBJLNVYVBF-UHFFFAOYSA-N 0 3 219.292 0.715 20 0 BCADHN COC(=O)c1occc1CNC(=O)C(C)(C)N ZINC000595942201 348410002 /nfs/dbraw/zinc/41/00/02/348410002.db2.gz BOZCJNLZLCRLRB-UHFFFAOYSA-N 0 3 240.259 0.420 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000595945109 348410746 /nfs/dbraw/zinc/41/07/46/348410746.db2.gz QMGIHVHIVFLELU-BBBLOLIVSA-N 0 3 240.303 0.135 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595947320 348411777 /nfs/dbraw/zinc/41/17/77/348411777.db2.gz ZSOOBHZYPNAILX-UTLUCORTSA-N 0 3 242.319 0.381 20 0 BCADHN COC(=O)[C@@H]1CCC[C@@H]1NC(=O)CNC1CC1 ZINC000595975894 348412947 /nfs/dbraw/zinc/41/29/47/348412947.db2.gz SKBIJSQPQLQNCN-ZJUUUORDSA-N 0 3 240.303 0.196 20 0 BCADHN C[C@@H]1[C@@H](C)[C@H](C)CN1CCS(=O)(=O)N(C)C ZINC000419330731 192123975 /nfs/dbraw/zinc/12/39/75/192123975.db2.gz BVZSNRBVYIIILA-OUAUKWLOSA-N 0 3 248.392 0.854 20 0 BCADHN CCOCCCN1C[C@H](C)N(CCO)C[C@H]1C ZINC000419334424 192124296 /nfs/dbraw/zinc/12/42/96/192124296.db2.gz VEVAZFHGMVNJEF-OLZOCXBDSA-N 0 3 244.379 0.800 20 0 BCADHN CCOC(=O)[C@H]1CCCN1C[C@@H]1CNCCO1 ZINC000595894217 348390908 /nfs/dbraw/zinc/39/09/08/348390908.db2.gz VPKYLSDTANWZRN-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN CCOC(=O)CN(C[C@@H]1CNCCO1)C1CC1 ZINC000595892087 348390979 /nfs/dbraw/zinc/39/09/79/348390979.db2.gz KFHFJPKMYQTZHC-NSHDSACASA-N 0 3 242.319 0.002 20 0 BCADHN CCNC(=O)CN[C@@H]1CCC[C@@H]1C(=O)OC ZINC000595903668 348395530 /nfs/dbraw/zinc/39/55/30/348395530.db2.gz SURGOCAZAWRIJM-DTWKUNHWSA-N 0 3 228.292 0.054 20 0 BCADHN COC(=O)CC1(CN2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000595905692 348396662 /nfs/dbraw/zinc/39/66/62/348396662.db2.gz QKUMSDJLHNNMMC-NXEZZACHSA-N 0 3 244.310 0.701 20 0 BCADHN CNC(=O)c1ccc(NC(=O)CNC(C)C)cc1 ZINC000037389802 348404013 /nfs/dbraw/zinc/40/40/13/348404013.db2.gz LGQOHOCPDNAMSL-UHFFFAOYSA-N 0 3 249.314 0.983 20 0 BCADHN CCOC(=O)[C@H]1CCCN1C(=O)CNC(C)C ZINC000595953379 348404094 /nfs/dbraw/zinc/40/40/94/348404094.db2.gz BQFQRLINKLVTOF-SNVBAGLBSA-N 0 3 242.319 0.539 20 0 BCADHN CC(C)CCCNC(=O)C(=O)N(C)[C@H](C)CN ZINC000419374109 192129325 /nfs/dbraw/zinc/12/93/25/192129325.db2.gz PHDISWUSWWFYAP-SNVBAGLBSA-N 0 3 243.351 0.344 20 0 BCADHN CCNC(=O)NC(=O)CN1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419394915 192129966 /nfs/dbraw/zinc/12/99/66/192129966.db2.gz PTYGOKRMNWPENH-IVZWLZJFSA-N 0 3 241.335 0.808 20 0 BCADHN COCCN1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC000069530340 490169846 /nfs/dbraw/zinc/16/98/46/490169846.db2.gz CIRQEBXDGVPOLL-SRVKXCTJSA-N 0 3 240.347 0.869 20 0 BCADHN CCCC1(CNC(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000419415374 192131759 /nfs/dbraw/zinc/13/17/59/192131759.db2.gz MYOSLMHJKBYRNY-VIFPVBQESA-N 0 3 241.335 0.146 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419387029 192133613 /nfs/dbraw/zinc/13/36/13/192133613.db2.gz FKPMMZKHQZLZGZ-JXUBOQSCSA-N 0 3 241.335 0.807 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419387477 192133721 /nfs/dbraw/zinc/13/37/21/192133721.db2.gz FKPMMZKHQZLZGZ-XKNYDFJKSA-N 0 3 241.335 0.807 20 0 BCADHN Cc1cc(CNC(=O)[C@@H]2CCCN2C)n[nH]1 ZINC000603551820 349991302 /nfs/dbraw/zinc/99/13/02/349991302.db2.gz RIQCRKJJFYAJAB-JTQLQIEISA-N 0 3 222.292 0.429 20 0 BCADHN CS[C@@H]1CN(c2ncnn2C)C[C@H]1N(C)C ZINC000596181281 348455632 /nfs/dbraw/zinc/45/56/32/348455632.db2.gz ZGBXLKPRMDPHAJ-RKDXNWHRSA-N 0 3 241.364 0.297 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1C[C@H](C)[C@H](C)[C@H]1C ZINC000419387476 192134082 /nfs/dbraw/zinc/13/40/82/192134082.db2.gz FKPMMZKHQZLZGZ-QEYWKRMJSA-N 0 3 241.335 0.807 20 0 BCADHN CC(C)CCNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000419725349 192144460 /nfs/dbraw/zinc/14/44/60/192144460.db2.gz RSPLIXMKHDEOGH-JTQLQIEISA-N 0 3 241.335 0.002 20 0 BCADHN C[C@H](CN)N(C)C(=O)C(=O)NCCC(C)(C)C ZINC000419739621 192144547 /nfs/dbraw/zinc/14/45/47/192144547.db2.gz JSVWLCMWLINHMB-SECBINFHSA-N 0 3 243.351 0.344 20 0 BCADHN CC(C)CC[C@@H](C)NC(=O)C(=O)N[C@@H](C)CN ZINC000419796653 192144640 /nfs/dbraw/zinc/14/46/40/192144640.db2.gz QSAMNQGOWBMHMY-ZJUUUORDSA-N 0 3 243.351 0.391 20 0 BCADHN Cc1ccc2ncc(CN[C@H](CO)[C@@H](C)O)n2c1 ZINC000419793190 192145272 /nfs/dbraw/zinc/14/52/72/192145272.db2.gz BHFLWZDXFYZLCK-ZYHUDNBSSA-N 0 3 249.314 0.474 20 0 BCADHN CC(C)CC[C@H](C)NC(=O)C(=O)N(C)CCN ZINC000419798955 192145402 /nfs/dbraw/zinc/14/54/02/192145402.db2.gz WIJIWFICNWNRFG-JTQLQIEISA-N 0 3 243.351 0.344 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1ccc2c[nH]nc2c1 ZINC000419793180 192145414 /nfs/dbraw/zinc/14/54/14/192145414.db2.gz BETRULUVEPIXCI-PRHODGIISA-N 0 3 235.287 0.394 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1c[nH]nc1C(C)(C)C ZINC000419821459 192145979 /nfs/dbraw/zinc/14/59/79/192145979.db2.gz VTJOCCSLDHTBQE-PSASIEDQSA-N 0 3 241.335 0.539 20 0 BCADHN C=Cn1cc(CN[C@H](CO)[C@H](O)CCC)cn1 ZINC000419803805 192146160 /nfs/dbraw/zinc/14/61/60/192146160.db2.gz CPEDADOCBDFGLI-VXGBXAGGSA-N 0 3 239.319 0.595 20 0 BCADHN CCC[C@@H](O)[C@@H](CO)NCc1cnn(CC)c1 ZINC000419836624 192146492 /nfs/dbraw/zinc/14/64/92/192146492.db2.gz ZLOLJVSXHRWNKO-VXGBXAGGSA-N 0 3 241.335 0.515 20 0 BCADHN CCC[C@H](O)[C@H](CO)NCc1cnn(CC)c1 ZINC000419836623 192146696 /nfs/dbraw/zinc/14/66/96/192146696.db2.gz ZLOLJVSXHRWNKO-RYUDHWBXSA-N 0 3 241.335 0.515 20 0 BCADHN CCC[C@@H](O)[C@H](CO)NCc1cnn(CC)c1 ZINC000419836622 192147119 /nfs/dbraw/zinc/14/71/19/192147119.db2.gz ZLOLJVSXHRWNKO-NWDGAFQWSA-N 0 3 241.335 0.515 20 0 BCADHN CC[C@H](C(=O)NCCN(C)CC)[C@@H](C)O ZINC000419877539 192147338 /nfs/dbraw/zinc/14/73/38/192147338.db2.gz RBFSTSDYXCPYAT-ZJUUUORDSA-N 0 3 216.325 0.461 20 0 BCADHN CC(C)C[C@H](CN)NC(=O)C(=O)N(C)C(C)C ZINC000419966614 192149520 /nfs/dbraw/zinc/14/95/20/192149520.db2.gz YSQBSBBCZNFRMW-SNVBAGLBSA-N 0 3 243.351 0.343 20 0 BCADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCCC1 ZINC000419963559 192149763 /nfs/dbraw/zinc/14/97/63/192149763.db2.gz VDUWSTRDDJKTSJ-SNVBAGLBSA-N 0 3 241.335 0.098 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCCN(C)[C@@H]1C)[C@@H](C)O ZINC000419950340 192151167 /nfs/dbraw/zinc/15/11/67/192151167.db2.gz HCTABOSJHWJKOR-WISYIIOYSA-N 0 3 242.363 0.992 20 0 BCADHN CN(C)C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000253237919 348582076 /nfs/dbraw/zinc/58/20/76/348582076.db2.gz POZDEOXYIPVPLL-KBVBSXBZSA-N 0 3 226.320 0.607 20 0 BCADHN C[C@@H]1C[C@@H]1CC(=O)NC[C@@](C)(O)CCN(C)C ZINC000420003515 192152738 /nfs/dbraw/zinc/15/27/38/192152738.db2.gz VBZVRXBLEXRTFZ-WZRBSPASSA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@H]1[C@H](C)CCN1C(=O)C(=O)N[C@H](C)CN ZINC000420014907 192153278 /nfs/dbraw/zinc/15/32/78/192153278.db2.gz PICFJRCEDSAHSD-BBBLOLIVSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N(C)C1CCCCC1 ZINC000420018660 192153495 /nfs/dbraw/zinc/15/34/95/192153495.db2.gz YHJBCICZVRCLLL-SECBINFHSA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@@H](C(=O)N(C)CCN(C)C1CC1)[C@@H](C)O ZINC000419969436 192153945 /nfs/dbraw/zinc/15/39/45/192153945.db2.gz SGAZDLZYJFFMHZ-ZYHUDNBSSA-N 0 3 242.363 0.946 20 0 BCADHN CN(C)CCn1cc(NCc2nccn2C)cn1 ZINC000596664040 348601337 /nfs/dbraw/zinc/60/13/37/348601337.db2.gz FBWGZQZRLVPFRV-UHFFFAOYSA-N 0 3 248.334 0.790 20 0 BCADHN CCN(CCC1CC1)C(=O)C(=O)N[C@H](C)CN ZINC000419990788 192155522 /nfs/dbraw/zinc/15/55/22/192155522.db2.gz HYGNKIZCWAWZSG-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)c1cccnn1 ZINC000626231582 348572561 /nfs/dbraw/zinc/57/25/61/348572561.db2.gz JDDZAIXBGFUWQZ-UHFFFAOYSA-N 0 3 236.319 0.889 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)CN(C)C)[C@H](C)O ZINC000420113061 192161929 /nfs/dbraw/zinc/16/19/29/192161929.db2.gz DVIOLTXSMUWKMQ-GUBZILKMSA-N 0 3 216.325 0.460 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)CN(C)C)[C@@H](C)O ZINC000420113060 192162089 /nfs/dbraw/zinc/16/20/89/192162089.db2.gz DVIOLTXSMUWKMQ-AEJSXWLSSA-N 0 3 216.325 0.460 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NCC1=CCCOC1 ZINC000597191402 348670912 /nfs/dbraw/zinc/67/09/12/348670912.db2.gz CBWBVPWUCOOYIQ-WDEREUQCSA-N 0 3 241.287 0.253 20 0 BCADHN C[C@@H](CSCCF)NC1(C(N)=O)CC1 ZINC000597083812 348655030 /nfs/dbraw/zinc/65/50/30/348655030.db2.gz UMYNAQKJGCVSFV-ZETCQYMHSA-N 0 3 220.313 0.685 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)CN(C)C)[C@H](C)O ZINC000420113063 192162861 /nfs/dbraw/zinc/16/28/61/192162861.db2.gz DVIOLTXSMUWKMQ-LPEHRKFASA-N 0 3 216.325 0.460 20 0 BCADHN C[C@@H](N[C@@H](C)CSCCF)C(N)=O ZINC000597118133 348663821 /nfs/dbraw/zinc/66/38/21/348663821.db2.gz KOGISJZSFJEYMB-NKWVEPMBSA-N 0 3 208.302 0.541 20 0 BCADHN C[C@H](CN1CCCCC1)Nc1nnnn1C ZINC000062939165 348621541 /nfs/dbraw/zinc/62/15/41/348621541.db2.gz PNOBGHGFRRXWML-SECBINFHSA-N 0 3 224.312 0.496 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1C(=O)C(=O)N[C@@H](C)CN ZINC000420032337 192158185 /nfs/dbraw/zinc/15/81/85/192158185.db2.gz TYSHCJZNGGSKQM-KXUCPTDWSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000420021852 192158394 /nfs/dbraw/zinc/15/83/94/192158394.db2.gz IWUYHRYRBNYQQL-UTLUCORTSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@H](C(=O)NC[C@@](C)(O)CCN(C)C)C1CC1 ZINC000420023495 192158417 /nfs/dbraw/zinc/15/84/17/192158417.db2.gz XTESVNQSUAGEHU-GWCFXTLKSA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@@H]1CC[C@H](C)N1C(=O)C(=O)N[C@@H](C)CN ZINC000420035171 192158811 /nfs/dbraw/zinc/15/88/11/192158811.db2.gz YINCIAPUQAAQNF-LPEHRKFASA-N 0 3 241.335 0.239 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1CCCC[C@H](C)C1 ZINC000420027359 192158826 /nfs/dbraw/zinc/15/88/26/192158826.db2.gz KYERWYLREVDUFV-UWVGGRQHSA-N 0 3 241.335 0.098 20 0 BCADHN CC(C)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000037503409 348627792 /nfs/dbraw/zinc/62/77/92/348627792.db2.gz WYOACASHWDQQRR-NWDGAFQWSA-N 0 3 212.337 0.926 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H](C)O ZINC000420092493 192160823 /nfs/dbraw/zinc/16/08/23/192160823.db2.gz OFLLNAWPNLIGMN-FIQHERPVSA-N 0 3 240.347 0.556 20 0 BCADHN CC[C@H](C(=O)NCC1(N(C)C)CC1)[C@H](C)O ZINC000420158419 192165134 /nfs/dbraw/zinc/16/51/34/192165134.db2.gz HHHRNBMZQOCMQZ-UWVGGRQHSA-N 0 3 228.336 0.604 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H]1CCCSC1 ZINC000597185358 348683039 /nfs/dbraw/zinc/68/30/39/348683039.db2.gz BJXIROMNUBLBNT-LPEHRKFASA-N 0 3 245.344 0.802 20 0 BCADHN CCOC[C@@H](C)N[C@@H]1CCO[C@@H]1C(=O)OC ZINC000597186668 348683578 /nfs/dbraw/zinc/68/35/78/348683578.db2.gz LAKUIGGRHCUBDE-BBBLOLIVSA-N 0 3 231.292 0.332 20 0 BCADHN CCOC[C@H](C)N[C@@H]1CCO[C@@H]1C(=O)OC ZINC000597186667 348683906 /nfs/dbraw/zinc/68/39/06/348683906.db2.gz LAKUIGGRHCUBDE-AEJSXWLSSA-N 0 3 231.292 0.332 20 0 BCADHN COC(=O)[C@H]1C[C@H](NCc2cnc3n2CCC3)C1 ZINC000597245153 348688480 /nfs/dbraw/zinc/68/84/80/348688480.db2.gz NCAPSIFYNWEUOE-MGCOHNPYSA-N 0 3 249.314 0.871 20 0 BCADHN COC(=O)c1ccc(CNC2([C@H](C)O)CC2)[nH]1 ZINC000597233979 348700397 /nfs/dbraw/zinc/70/03/97/348700397.db2.gz DWNMDJLXMQOARU-QMMMGPOBSA-N 0 3 238.287 0.804 20 0 BCADHN CS[C@@H](C)CCC(=O)N[C@@H](CO)CN(C)C ZINC000597653001 348775924 /nfs/dbraw/zinc/77/59/24/348775924.db2.gz HCBCUYLYLUJNNK-VHSXEESVSA-N 0 3 248.392 0.557 20 0 BCADHN CO[C@H](C(=O)N(C)C[C@H]1CCCN1C)C1CC1 ZINC000421709770 192375524 /nfs/dbraw/zinc/37/55/24/192375524.db2.gz HAMWGHPOSSLFEQ-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN CCO[C@@H](C)C(=O)N(C)C[C@H]1CCCN1C ZINC000421705721 192375785 /nfs/dbraw/zinc/37/57/85/192375785.db2.gz SALKRAFAIJSQAX-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN c1csc(CNCCCn2cncn2)n1 ZINC000308825369 348762309 /nfs/dbraw/zinc/76/23/09/348762309.db2.gz HVABZGHBOHSQDW-UHFFFAOYSA-N 0 3 223.305 0.915 20 0 BCADHN CN(C)CCNC(=O)[C@@]1(C)CC1(F)F ZINC000421737068 192377120 /nfs/dbraw/zinc/37/71/20/192377120.db2.gz HNNKIVLXVPSJPJ-MRVPVSSYSA-N 0 3 206.236 0.710 20 0 BCADHN CN[C@@H](C)C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000054075565 348877800 /nfs/dbraw/zinc/87/78/00/348877800.db2.gz UXGHGXUCCRABCY-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cnn(CCOC)c1 ZINC000054074310 348889688 /nfs/dbraw/zinc/88/96/88/348889688.db2.gz KNTFYKGYNBXQOB-QMMMGPOBSA-N 0 3 226.280 0.076 20 0 BCADHN Cc1cnn(C)c1CN[C@@H](C)Cn1cncn1 ZINC000352774285 179720539 /nfs/dbraw/zinc/72/05/39/179720539.db2.gz WQMYBQQJJPZXLS-JTQLQIEISA-N 0 3 234.307 0.498 20 0 BCADHN OCCCCCN1CCN(C2CC2)CC1 ZINC000051019952 348925272 /nfs/dbraw/zinc/92/52/72/348925272.db2.gz OCWHEENSNKPABD-UHFFFAOYSA-N 0 3 212.337 0.929 20 0 BCADHN COCCN(C)CCCNC(=O)[C@@H]1CC12CC2 ZINC000421744745 192378043 /nfs/dbraw/zinc/37/80/43/192378043.db2.gz PVCZHGGBBOOJER-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN COCCNCC(=O)N1CCC[C@@H]1CSC ZINC000400118665 362935157 /nfs/dbraw/zinc/93/51/57/362935157.db2.gz LGMFCYUHAXASNT-SNVBAGLBSA-N 0 3 246.376 0.576 20 0 BCADHN COC(=O)CCCN1CC[C@@H](C)[C@H](CO)C1 ZINC000598651040 349012140 /nfs/dbraw/zinc/01/21/40/349012140.db2.gz QFERKJDMPHGVCZ-MNOVXSKESA-N 0 3 229.320 0.890 20 0 BCADHN CSCCNC(=O)NC[C@H]1CCCN1C ZINC000598965061 349068527 /nfs/dbraw/zinc/06/85/27/349068527.db2.gz TWBQGYULCABDRQ-SECBINFHSA-N 0 3 231.365 0.743 20 0 BCADHN CSCC[C@H](C)N(C)c1nc(N)nc(N)n1 ZINC000599053113 349084038 /nfs/dbraw/zinc/08/40/38/349084038.db2.gz DJRWUIPFKWAMBK-LURJTMIESA-N 0 3 242.352 0.275 20 0 BCADHN CCSCC[C@H](C)Nc1nc(N)nc(N)n1 ZINC000599055398 349084545 /nfs/dbraw/zinc/08/45/45/349084545.db2.gz QBZHXQPEXONVGS-LURJTMIESA-N 0 3 242.352 0.062 20 0 BCADHN C[C@@](O)(CNC[C@H](O)C1CC1)C(F)(F)F ZINC000308906582 349058775 /nfs/dbraw/zinc/05/87/75/349058775.db2.gz LNEKFWBDIZIANW-JGVFFNPUSA-N 0 3 227.226 0.660 20 0 BCADHN C[C@](O)(CNC[C@@H](O)C1CC1)C(F)(F)F ZINC000308906584 349059007 /nfs/dbraw/zinc/05/90/07/349059007.db2.gz LNEKFWBDIZIANW-SFYZADRCSA-N 0 3 227.226 0.660 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1CC[C@](C)(O)C1 ZINC000248345733 349124658 /nfs/dbraw/zinc/12/46/58/349124658.db2.gz NDBJJYWXWNBOQM-JQWIXIFHSA-N 0 3 228.336 0.698 20 0 BCADHN CC[C@H](C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248373327 349126146 /nfs/dbraw/zinc/12/61/46/349126146.db2.gz IAXCFEPFVGQYOU-DTWKUNHWSA-N 0 3 220.338 0.408 20 0 BCADHN CCN1CCN(CCCCC(=O)OC)CC1 ZINC000599257882 349132067 /nfs/dbraw/zinc/13/20/67/349132067.db2.gz QRPIIFHADGVHOZ-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN COC(=O)CCCCN1CCNC(=O)CC1 ZINC000599283785 349133735 /nfs/dbraw/zinc/13/37/35/349133735.db2.gz DLDVVQFBTPAXGW-UHFFFAOYSA-N 0 3 228.292 0.152 20 0 BCADHN COC(=O)CCCCN1CCN(C)CC1 ZINC000599260853 349133891 /nfs/dbraw/zinc/13/38/91/349133891.db2.gz HIDQNAFGWSJVMP-UHFFFAOYSA-N 0 3 214.309 0.577 20 0 BCADHN COC(=O)CCCCN(C)[C@@H]1CCN(C)C1=O ZINC000599298688 349140385 /nfs/dbraw/zinc/14/03/85/349140385.db2.gz XEJWUDOOBOLPJJ-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN COC(=O)CCCCN1CCC[C@@](O)(CO)C1 ZINC000599439097 349178054 /nfs/dbraw/zinc/17/80/54/349178054.db2.gz XKOLQTOTMDOOGE-LBPRGKRZSA-N 0 3 245.319 0.149 20 0 BCADHN CC(C)[C@@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000251280029 349184515 /nfs/dbraw/zinc/18/45/15/349184515.db2.gz DFDMLUCTDCTVKX-GHMZBOCLSA-N 0 3 227.352 0.380 20 0 BCADHN CCC[C@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000251391199 349186668 /nfs/dbraw/zinc/18/66/68/349186668.db2.gz YBHFVENNOITXJS-WDEREUQCSA-N 0 3 227.352 0.524 20 0 BCADHN CC[C@H](C)[N@@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000249268474 349162526 /nfs/dbraw/zinc/16/25/26/349162526.db2.gz ISSTVDLMVUYBLE-KWQFWETISA-N 0 3 225.292 0.459 20 0 BCADHN CC[C@H](C)[N@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000249268474 349162528 /nfs/dbraw/zinc/16/25/28/349162528.db2.gz ISSTVDLMVUYBLE-KWQFWETISA-N 0 3 225.292 0.459 20 0 BCADHN CC[C@@H](O)CN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000249214771 349162688 /nfs/dbraw/zinc/16/26/88/349162688.db2.gz DLLPYSNWHZOEOK-SDDRHHMPSA-N 0 3 230.352 0.144 20 0 BCADHN COC(=O)CCCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000599385307 349164838 /nfs/dbraw/zinc/16/48/38/349164838.db2.gz CVTBLQUNPVRHGB-QWRGUYRKSA-N 0 3 245.319 0.005 20 0 BCADHN CCOC(=O)C[C@H](O)CN1[C@@H](C)C[C@@H]1C ZINC000599390873 349169279 /nfs/dbraw/zinc/16/92/79/349169279.db2.gz FUQFBDXVVNFSMT-GUBZILKMSA-N 0 3 215.293 0.783 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1N[C@H]1CCCNC1=O ZINC000252774971 349214660 /nfs/dbraw/zinc/21/46/60/349214660.db2.gz NJPGLGFFVOJIHA-DJLDLDEBSA-N 0 3 212.293 0.014 20 0 BCADHN CC[C@@H](CN1CC[C@@](OC)(C(=O)OC)C1)OC ZINC000599559203 349216938 /nfs/dbraw/zinc/21/69/38/349216938.db2.gz UAYFIFONKMYYPM-JQWIXIFHSA-N 0 3 245.319 0.675 20 0 BCADHN CC[C@@H](O)CN1CC[C@](OC)(C(=O)OC)C1 ZINC000599558583 349217389 /nfs/dbraw/zinc/21/73/89/349217389.db2.gz LUMUCOXSBVXAND-MWLCHTKSSA-N 0 3 231.292 0.021 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(CCCCCO)C1 ZINC000599562447 349217944 /nfs/dbraw/zinc/21/79/44/349217944.db2.gz IBSPAWREAFQZHL-GFCCVEGCSA-N 0 3 245.319 0.413 20 0 BCADHN COC[C@H](C)N1CC[C@@](OC)(C(=O)OC)C1 ZINC000599564718 349219999 /nfs/dbraw/zinc/21/99/99/349219999.db2.gz VINJFPWVRFSGCP-ONGXEEELSA-N 0 3 231.292 0.285 20 0 BCADHN COC[C@@H](C)N1CC[C@](OC)(C(=O)OC)C1 ZINC000599564717 349220187 /nfs/dbraw/zinc/22/01/87/349220187.db2.gz VINJFPWVRFSGCP-MWLCHTKSSA-N 0 3 231.292 0.285 20 0 BCADHN COCCCN1CC[C@](OC)(C(=O)OC)C1 ZINC000599565684 349220268 /nfs/dbraw/zinc/22/02/68/349220268.db2.gz VRDBZQIKIUKNQP-LLVKDONJSA-N 0 3 231.292 0.287 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCCC2(CC2)CC1 ZINC000599672157 349240050 /nfs/dbraw/zinc/24/00/50/349240050.db2.gz BKJMGAYASATLBZ-VIFPVBQESA-N 0 3 239.319 0.836 20 0 BCADHN COC(=O)CCN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632908 349236822 /nfs/dbraw/zinc/23/68/22/349236822.db2.gz RMMNHLVJLGEPML-KCWFYHRYSA-N 0 3 245.344 0.535 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)CO1 ZINC000402064094 349288881 /nfs/dbraw/zinc/28/88/81/349288881.db2.gz GKEQPDCRERSAIO-HRDYMLBCSA-N 0 3 214.309 0.653 20 0 BCADHN NC(=O)NC(=O)CN1CCCC2(CC2)CC1 ZINC000599673517 349241265 /nfs/dbraw/zinc/24/12/65/349241265.db2.gz RXSIJRIERLBVCO-UHFFFAOYSA-N 0 3 225.292 0.447 20 0 BCADHN Cc1n[nH]c(C)c1CNCCCOCCO ZINC000134667684 179824220 /nfs/dbraw/zinc/82/42/20/179824220.db2.gz QPOXUEHGKKIQRI-UHFFFAOYSA-N 0 3 227.308 0.515 20 0 BCADHN COC(=O)CCN1CCCC[C@@H]1CNC(C)=O ZINC000599704866 349249249 /nfs/dbraw/zinc/24/92/49/349249249.db2.gz WDYOGWWEERHGRX-LLVKDONJSA-N 0 3 242.319 0.540 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCC1(CO)CCC1 ZINC000184531676 349263130 /nfs/dbraw/zinc/26/31/30/349263130.db2.gz JEQIIUKJHKMKAM-SNVBAGLBSA-N 0 3 249.376 0.562 20 0 BCADHN Cc1nc(CN[C@H]2CCCC[C@H]2C(N)=O)n[nH]1 ZINC000292674156 179835371 /nfs/dbraw/zinc/83/53/71/179835371.db2.gz BPURNQDQCRZYAV-BDAKNGLRSA-N 0 3 237.307 0.247 20 0 BCADHN Cc1ncc(CN[C@@H]2CC[C@H](C(N)=O)C2)o1 ZINC000628303366 349269000 /nfs/dbraw/zinc/26/90/00/349269000.db2.gz RRPONSAGMSUPAG-DTWKUNHWSA-N 0 3 223.276 0.727 20 0 BCADHN COC[C@](C)(O)CNCc1cnc2ccccn12 ZINC000601772157 349338359 /nfs/dbraw/zinc/33/83/59/349338359.db2.gz CPTRPXPMCPZWPO-CYBMUJFWSA-N 0 3 249.314 0.821 20 0 BCADHN O=C(NC[C@H]1CNCCO1)Nc1ccccn1 ZINC000623057908 349358011 /nfs/dbraw/zinc/35/80/11/349358011.db2.gz KMGRCVZKXDOZKH-SECBINFHSA-N 0 3 236.275 0.192 20 0 BCADHN CN(C)C(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000082944015 349345691 /nfs/dbraw/zinc/34/56/91/349345691.db2.gz RRJBWTLDELSRCN-IEBDPFPHSA-N 0 3 226.320 0.478 20 0 BCADHN CCN(CCCO)[C@@H](C)C(=O)NC(C)(C)C ZINC000160725760 349314269 /nfs/dbraw/zinc/31/42/69/349314269.db2.gz JNQCXAMTWLITPS-JTQLQIEISA-N 0 3 230.352 0.994 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](O)CC[C@H]1C ZINC000422000459 192412032 /nfs/dbraw/zinc/41/20/32/192412032.db2.gz DFXGCPMQKLIPSD-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN CSCC[C@H](N)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000601972693 349409586 /nfs/dbraw/zinc/40/95/86/349409586.db2.gz NISGVSUGFUGNRB-AEJSXWLSSA-N 0 3 244.360 0.172 20 0 BCADHN O=C(CN1CCCCC[C@H]1CCO)NC1CC1 ZINC000342040504 538043169 /nfs/dbraw/zinc/04/31/69/538043169.db2.gz XARXZFTXLYKRTO-LBPRGKRZSA-N 0 3 240.347 0.892 20 0 BCADHN CO[C@@H]1CN(CCc2cccnc2)C[C@H]1O ZINC000395390057 323225050 /nfs/dbraw/zinc/22/50/50/323225050.db2.gz WFLUSEVRMWGIIF-VXGBXAGGSA-N 0 3 222.288 0.316 20 0 BCADHN CCc1nc(C(=O)N2C[C@@H](C)NC[C@@H]2C)no1 ZINC000623058859 349381718 /nfs/dbraw/zinc/38/17/18/349381718.db2.gz MDWUTALDRXJIBQ-SFYZADRCSA-N 0 3 238.291 0.454 20 0 BCADHN COC[C@@H](C)CN1CCN(C(C)=O)C[C@@H]1C ZINC000526123818 323234074 /nfs/dbraw/zinc/23/40/74/323234074.db2.gz OXXZZAXHFMFDNJ-QWRGUYRKSA-N 0 3 228.336 0.822 20 0 BCADHN C[NH+]1CCC(NC(=O)c2cc(=O)[n-]cn2)CC1 ZINC000623529116 362948130 /nfs/dbraw/zinc/94/81/30/362948130.db2.gz VXGVMGITSCLZOJ-UHFFFAOYSA-N 0 3 236.275 0.006 20 0 BCADHN COC(=O)c1ccc(CNC2(CO)CC2)n1C ZINC000602013086 349416435 /nfs/dbraw/zinc/41/64/35/349416435.db2.gz TXOFRQWOCFEKJJ-UHFFFAOYSA-N 0 3 238.287 0.426 20 0 BCADHN COC(=O)c1ccc(CN[C@H](C)CO)n1C ZINC000602007147 349421288 /nfs/dbraw/zinc/42/12/88/349421288.db2.gz NFYLDUHHXBVEOF-MRVPVSSYSA-N 0 3 226.276 0.282 20 0 BCADHN C[C@H]1CCN(CCNCc2cn[nH]c2)C1 ZINC000309118724 350035814 /nfs/dbraw/zinc/03/58/14/350035814.db2.gz MQMVHOHWMBHOGO-JTQLQIEISA-N 0 3 208.309 0.841 20 0 BCADHN CNC(=O)N[C@@H]1CCN([C@H](C)CCOC)C1 ZINC000342337154 538047119 /nfs/dbraw/zinc/04/71/19/538047119.db2.gz KONOJUFRVKTYAL-NXEZZACHSA-N 0 3 229.324 0.415 20 0 BCADHN CNC(=O)c1ccc(CN[C@H](C)[C@@H](C)O)cc1 ZINC000342226935 538047166 /nfs/dbraw/zinc/04/71/66/538047166.db2.gz OVEGANJGGYMESF-NXEZZACHSA-N 0 3 236.315 0.905 20 0 BCADHN OCCCN(CCO)Cc1cccs1 ZINC000093323868 191004687 /nfs/dbraw/zinc/00/46/87/191004687.db2.gz IARHWXHYUCEIGW-UHFFFAOYSA-N 0 3 215.318 0.925 20 0 BCADHN CN(c1cc(C#N)cnn1)[C@H]1CCCN(C)C1 ZINC000397009818 350043257 /nfs/dbraw/zinc/04/32/57/350043257.db2.gz XTMGNWAUNVIWEN-NSHDSACASA-N 0 3 231.303 0.879 20 0 BCADHN CN(Cc1nc[nH]n1)C(=O)[C@@H](N)C(C)(C)C ZINC000070819142 350061733 /nfs/dbraw/zinc/06/17/33/350061733.db2.gz JIMBAOFLVXLMJZ-MRVPVSSYSA-N 0 3 225.296 0.137 20 0 BCADHN CC(C)(N)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000658963321 490292394 /nfs/dbraw/zinc/29/23/94/490292394.db2.gz NUTDKVXGBSNRMA-DTWKUNHWSA-N 0 3 212.293 0.219 20 0 BCADHN Cc1nnc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)[n-]1 ZINC000278689034 180012606 /nfs/dbraw/zinc/01/26/06/180012606.db2.gz OLWYRYFSTXIEPH-SECBINFHSA-N 0 3 235.291 0.678 20 0 BCADHN Cc1nnc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)[n-]1 ZINC000278689034 180012607 /nfs/dbraw/zinc/01/26/07/180012607.db2.gz OLWYRYFSTXIEPH-SECBINFHSA-N 0 3 235.291 0.678 20 0 BCADHN Cc1nc(NC[C@@H](C)N(C)C)cc2nncn21 ZINC000298185215 180019448 /nfs/dbraw/zinc/01/94/48/180019448.db2.gz GXUGUKMNUNCWIY-MRVPVSSYSA-N 0 3 234.307 0.795 20 0 BCADHN Cc1[nH]c(=O)ccc1C(=O)NCCN(C)C ZINC000130978259 180026123 /nfs/dbraw/zinc/02/61/23/180026123.db2.gz YMPVELYBYRZXGJ-UHFFFAOYSA-N 0 3 223.276 0.387 20 0 BCADHN Cc1[nH]c(=O)ccc1C(=O)NC[C@@H](C)N(C)C ZINC000269687841 180026139 /nfs/dbraw/zinc/02/61/39/180026139.db2.gz NVPBXBIMILSYFX-MRVPVSSYSA-N 0 3 237.303 0.776 20 0 BCADHN Cc1nnc([C@@H]2CCCN(C(=O)[C@@H](C)N)C2)[nH]1 ZINC000353209086 180041396 /nfs/dbraw/zinc/04/13/96/180041396.db2.gz VNVDVFDFBAWBBF-VXNVDRBHSA-N 0 3 237.307 0.166 20 0 BCADHN C[C@H](NC[C@]1(O)CCOC1)c1ccnn1C ZINC000219290584 350120010 /nfs/dbraw/zinc/12/00/10/350120010.db2.gz NBQRYZNIVSORKZ-GXSJLCMTSA-N 0 3 225.292 0.222 20 0 BCADHN C=Cn1cc(CNC2(CO)CCOCC2)cn1 ZINC000219384897 350125316 /nfs/dbraw/zinc/12/53/16/350125316.db2.gz NOZSIBAPHLXLFV-UHFFFAOYSA-N 0 3 237.303 0.615 20 0 BCADHN CC(C)n1cncc1CNC[C@]1(O)CCOC1 ZINC000227120537 535104830 /nfs/dbraw/zinc/10/48/30/535104830.db2.gz UTGMUNMKIAFNCQ-GFCCVEGCSA-N 0 3 239.319 0.705 20 0 BCADHN C[C@H](NCCNC(=O)C1CC1)c1cn[nH]c1 ZINC000304285585 350149854 /nfs/dbraw/zinc/14/98/54/350149854.db2.gz YBBPMKANXQRMSG-QMMMGPOBSA-N 0 3 222.292 0.587 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000402300656 350133711 /nfs/dbraw/zinc/13/37/11/350133711.db2.gz JMYMHMHVQKIQPE-XHNCKOQMSA-N 0 3 200.282 0.263 20 0 BCADHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cn[nH]c1)CC2 ZINC000280972042 180115017 /nfs/dbraw/zinc/11/50/17/180115017.db2.gz KNVQRJLXUWPVEI-GZMMTYOYSA-N 0 3 246.318 0.975 20 0 BCADHN Cc1ncc(C(=O)NCC2(N(C)C)CCC2)[nH]1 ZINC000331962206 180131079 /nfs/dbraw/zinc/13/10/79/180131079.db2.gz KLUUHYGYBGXHIR-UHFFFAOYSA-N 0 3 236.319 0.932 20 0 BCADHN C/C=C/CNC(=O)NCCOCCN(C)C ZINC000637079437 350175243 /nfs/dbraw/zinc/17/52/43/350175243.db2.gz WWWWHMSWVSVBMR-SNAWJCMRSA-N 0 3 229.324 0.440 20 0 BCADHN Cc1nc[nH]c1CNC(=O)C(N)C(F)(F)F ZINC000353429323 180118620 /nfs/dbraw/zinc/11/86/20/180118620.db2.gz PHKSKRSPBSGQSE-ZCFIWIBFSA-N 0 3 236.197 0.224 20 0 BCADHN CC[C@@]1(O)CCN(C(=O)C2CCN(C)CC2)C1 ZINC000428736996 191058627 /nfs/dbraw/zinc/05/86/27/191058627.db2.gz JETHOCTUOLIGMU-CYBMUJFWSA-N 0 3 240.347 0.702 20 0 BCADHN CCCN(C)CC(=O)NCC(F)(F)CN ZINC000427324312 191058720 /nfs/dbraw/zinc/05/87/20/191058720.db2.gz LFYJUMKZEKZPHZ-UHFFFAOYSA-N 0 3 223.267 0.038 20 0 BCADHN CCCN(C)CC(=O)N[C@@](C)(CO)C(C)C ZINC000427366944 191060960 /nfs/dbraw/zinc/06/09/60/191060960.db2.gz PVMQDOVNXHFGPF-LBPRGKRZSA-N 0 3 230.352 0.851 20 0 BCADHN CCN(CC)CC(=O)N[C@@](C)(CO)C(C)C ZINC000427372951 191060964 /nfs/dbraw/zinc/06/09/64/191060964.db2.gz SSIRFNOJXHKLGO-LBPRGKRZSA-N 0 3 230.352 0.851 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@H]1CCCCO1 ZINC000042823090 191067452 /nfs/dbraw/zinc/06/74/52/191067452.db2.gz DAXOSKLEYZHEGU-ZJUUUORDSA-N 0 3 214.309 0.655 20 0 BCADHN CN(C)CCSCCN1CCOCC1 ZINC000072264437 350197285 /nfs/dbraw/zinc/19/72/85/350197285.db2.gz QIQWVYHWDLKSQC-UHFFFAOYSA-N 0 3 218.366 0.613 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-]CCC[NH3+])s1 ZINC000226708883 180171026 /nfs/dbraw/zinc/17/10/26/180171026.db2.gz OIJXAFOZCIGYQQ-UHFFFAOYSA-N 0 3 235.334 0.079 20 0 BCADHN CN(c1nc(N)nc(N)n1)[C@H]1CCC(C)(C)C1 ZINC000624177987 350199522 /nfs/dbraw/zinc/19/95/22/350199522.db2.gz LNOXSVMTLVRIPR-ZETCQYMHSA-N 0 3 236.323 0.712 20 0 BCADHN Cc1ncc(CN2CC[C@H](C)[C@@H]2CO)cn1 ZINC000352423630 180145030 /nfs/dbraw/zinc/14/50/30/180145030.db2.gz YNBPUEUIWURCFQ-CABZTGNLSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1ncc(CN2CC[C@@H](CO)C2)n1C ZINC000013570101 180145623 /nfs/dbraw/zinc/14/56/23/180145623.db2.gz XBRXQAGNAMLHEG-SNVBAGLBSA-N 0 3 209.293 0.543 20 0 BCADHN C[C@H](C(=O)NC(C)(C)C)N1CCC[C@H](CO)C1 ZINC000048776215 191070694 /nfs/dbraw/zinc/07/06/94/191070694.db2.gz LQEIURVJDLYTGU-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCC[C@H](CO)C1 ZINC000048581805 191070839 /nfs/dbraw/zinc/07/08/39/191070839.db2.gz LITRMMFSGWCLEA-UWVGGRQHSA-N 0 3 226.320 0.358 20 0 BCADHN Cc1ncc(CNC[C@H](O)C(C)C)cn1 ZINC000336761015 180151245 /nfs/dbraw/zinc/15/12/45/180151245.db2.gz MSQCMDQWZNABQK-NSHDSACASA-N 0 3 209.293 0.892 20 0 BCADHN CCC[C@H](N)c1cn(C[C@@H](O)COC)nn1 ZINC000229954093 490372441 /nfs/dbraw/zinc/37/24/41/490372441.db2.gz CYVHGFPLTACBRB-BDAKNGLRSA-N 0 3 228.296 0.085 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCC(C)(C)F ZINC000637147027 350220000 /nfs/dbraw/zinc/22/00/00/350220000.db2.gz AICVQMNPSRZBSI-QMMMGPOBSA-N 0 3 219.304 0.984 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000637147740 350220128 /nfs/dbraw/zinc/22/01/28/350220128.db2.gz YTSXYLNEKSVMKU-LNFKQOIKSA-N 0 3 243.351 0.802 20 0 BCADHN CNS(=O)(=O)[C@H]1CCN(CC2CCC2)C1 ZINC000532757453 323295256 /nfs/dbraw/zinc/29/52/56/323295256.db2.gz WYALCIBDVAHHRR-JTQLQIEISA-N 0 3 232.349 0.410 20 0 BCADHN C[C@@H]1CN(Cc2ccn(C)c2)CCN1CCO ZINC000428470077 191078294 /nfs/dbraw/zinc/07/82/94/191078294.db2.gz YPXIQBDDAJYSAL-GFCCVEGCSA-N 0 3 237.347 0.524 20 0 BCADHN Cc1nccc(NCCCN2CCN(C)CC2)n1 ZINC000266192196 180199548 /nfs/dbraw/zinc/19/95/48/180199548.db2.gz YZAIEIOBJQLGSA-UHFFFAOYSA-N 0 3 249.362 0.834 20 0 BCADHN C[C@@H]1CCCCN1CCNC(=O)C(C)(C)O ZINC000427511798 191079471 /nfs/dbraw/zinc/07/94/71/191079471.db2.gz NOECOJAGNCIFLD-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN Cc1nccc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)n1 ZINC000352854796 180185542 /nfs/dbraw/zinc/18/55/42/180185542.db2.gz AJNGIOGIYHUXAL-DRZSPHRISA-N 0 3 233.315 0.988 20 0 BCADHN Cc1nccc(CN2CC[C@@H]([C@H](C)O)C2)n1 ZINC000352861199 180185605 /nfs/dbraw/zinc/18/56/05/180185605.db2.gz JOHLJIYXKPXZHE-GXSJLCMTSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1nccc(CN2CC[C@@](C)(C(N)=O)C2)n1 ZINC000353281599 180186562 /nfs/dbraw/zinc/18/65/62/180186562.db2.gz BPUVDVGRNLVWJT-GFCCVEGCSA-N 0 3 234.303 0.482 20 0 BCADHN Cc1nccc(CN2CC[C@](C)(C(N)=O)C2)n1 ZINC000353281605 180186765 /nfs/dbraw/zinc/18/67/65/180186765.db2.gz BPUVDVGRNLVWJT-LBPRGKRZSA-N 0 3 234.303 0.482 20 0 BCADHN Cc1nccc(CNC(=O)C(N)C(F)(F)F)n1 ZINC000353129381 180187843 /nfs/dbraw/zinc/18/78/43/180187843.db2.gz MQOAJWPEDIIGMQ-SSDOTTSWSA-N 0 3 248.208 0.291 20 0 BCADHN Cc1nccc(CNC(=O)[C@H](N)C(C)C)n1 ZINC000038038108 180187955 /nfs/dbraw/zinc/18/79/55/180187955.db2.gz ICCGGQZIHRBREC-SNVBAGLBSA-N 0 3 222.292 0.385 20 0 BCADHN Cc1ncccc1CNCCc1ncn(C)n1 ZINC000310085143 180221584 /nfs/dbraw/zinc/22/15/84/180221584.db2.gz GHFHNAWQAXJGLI-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000426433319 191083695 /nfs/dbraw/zinc/08/36/95/191083695.db2.gz NOBLTZOIKVBPRY-LBPRGKRZSA-N 0 3 239.363 0.681 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1CCC[C@@H]1O)N(C)C ZINC000637195805 350256450 /nfs/dbraw/zinc/25/64/50/350256450.db2.gz HBBJIVWDYZXWQQ-GUBZILKMSA-N 0 3 229.324 0.149 20 0 BCADHN Cc1nccn1CCN(C)CC(=O)N(C)C ZINC000270689588 180247220 /nfs/dbraw/zinc/24/72/20/180247220.db2.gz XFYYPCAUYVSKMQ-UHFFFAOYSA-N 0 3 224.308 0.212 20 0 BCADHN O=C(NCCN1CCCC1)c1cnc[nH]1 ZINC000346974681 133799346 /nfs/dbraw/zinc/79/93/46/133799346.db2.gz WYGLQHGDHOWUMI-UHFFFAOYSA-N 0 3 208.265 0.235 20 0 BCADHN Cc1nccn1CCN1C[C@H](O)C(C)(C)C1 ZINC000279701581 180255759 /nfs/dbraw/zinc/25/57/59/180255759.db2.gz HBMRXSXMFQIILX-NSHDSACASA-N 0 3 223.320 0.894 20 0 BCADHN Cc1nccn1CCNC(=O)[C@@H](N)CC(C)C ZINC000269260778 180257218 /nfs/dbraw/zinc/25/72/18/180257218.db2.gz VZYGATVPBLEXLP-NSHDSACASA-N 0 3 238.335 0.681 20 0 BCADHN Cc1nccn1CCCNC(=O)[C@@H](C)N ZINC000308837380 180245075 /nfs/dbraw/zinc/24/50/75/180245075.db2.gz LVSCPOCGANCMPP-MRVPVSSYSA-N 0 3 210.281 0.045 20 0 BCADHN CN(CCCCS(C)(=O)=O)C[C@@H](O)C1CC1 ZINC000305093673 490433784 /nfs/dbraw/zinc/43/37/84/490433784.db2.gz QWNCPQLPDSHRPA-LLVKDONJSA-N 0 3 249.376 0.514 20 0 BCADHN Cc1nccn1C[C@@H](C)CNC(=O)CN(C)C ZINC000263867385 180265603 /nfs/dbraw/zinc/26/56/03/180265603.db2.gz GWCHPJPKOZKONF-JTQLQIEISA-N 0 3 238.335 0.505 20 0 BCADHN NC(=O)NC(=O)CN1CCC[C@H]2CCCC[C@H]21 ZINC000049971556 350270912 /nfs/dbraw/zinc/27/09/12/350270912.db2.gz VANRBHREONPITC-NXEZZACHSA-N 0 3 239.319 0.836 20 0 BCADHN CC(=O)NCCCNCc1ccc(CO)o1 ZINC000309311493 350275178 /nfs/dbraw/zinc/27/51/78/350275178.db2.gz CAXOEDUXPALAOY-UHFFFAOYSA-N 0 3 226.276 0.388 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@@H]1CCCOC1 ZINC000038046168 350303735 /nfs/dbraw/zinc/30/37/35/350303735.db2.gz HXGNSINXZYCODE-UWVGGRQHSA-N 0 3 214.309 0.657 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@H](CO)[C@H]1C ZINC000427840332 191094832 /nfs/dbraw/zinc/09/48/32/191094832.db2.gz WFRCFVIEEFTGHS-MNOVXSKESA-N 0 3 228.336 0.556 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@H](CO)[C@@H]1C ZINC000427840333 191095032 /nfs/dbraw/zinc/09/50/32/191095032.db2.gz WFRCFVIEEFTGHS-QWRGUYRKSA-N 0 3 228.336 0.556 20 0 BCADHN Cc1ncncc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000263908575 180294319 /nfs/dbraw/zinc/29/43/19/180294319.db2.gz APVWYBZEKWZIRW-VIFPVBQESA-N 0 3 248.330 0.998 20 0 BCADHN Cc1ncncc1C(=O)NC[C@H](C)N(C)C ZINC000298730067 180295025 /nfs/dbraw/zinc/29/50/25/180295025.db2.gz IOCIBGKQXGKNCF-QMMMGPOBSA-N 0 3 222.292 0.465 20 0 BCADHN CC[C@H](N)C(=O)N(C)CCCC(=O)OC ZINC000037813220 350289945 /nfs/dbraw/zinc/28/99/45/350289945.db2.gz AYXBHKNLAPQCNA-QMMMGPOBSA-N 0 3 216.281 0.135 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000050456809 350341904 /nfs/dbraw/zinc/34/19/04/350341904.db2.gz CEKPQIAWQCBFIH-NWDGAFQWSA-N 0 3 216.284 0.919 20 0 BCADHN CC[C@H]1CO[C@@H](C)CN1C(=O)[C@@H]1C[C@@H]1N ZINC000050458928 350342969 /nfs/dbraw/zinc/34/29/69/350342969.db2.gz OPKONCCEUPZUET-QEYWKRMJSA-N 0 3 212.293 0.360 20 0 BCADHN Cc1ncncc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000408226135 180296148 /nfs/dbraw/zinc/29/61/48/180296148.db2.gz LZDSKBHVVPWAOS-ONGXEEELSA-N 0 3 248.330 0.998 20 0 BCADHN C[C@H](CNCc1cn[nH]c1)CN1CCOCC1 ZINC000606472545 350345477 /nfs/dbraw/zinc/34/54/77/350345477.db2.gz QKEQZISXUSYYBZ-LLVKDONJSA-N 0 3 238.335 0.468 20 0 BCADHN Cc1ncoc1C(=O)NC1CCN(C)CC1 ZINC000354475662 180300224 /nfs/dbraw/zinc/30/02/24/180300224.db2.gz YIYQSWAIXNKHRB-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CC)COC ZINC000606536371 350358189 /nfs/dbraw/zinc/35/81/89/350358189.db2.gz ZIXUKYTWTQDVGL-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000040430949 350363485 /nfs/dbraw/zinc/36/34/85/350363485.db2.gz HQRSYHZQMWOHBJ-BDAKNGLRSA-N 0 3 236.271 0.290 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000040430945 350363612 /nfs/dbraw/zinc/36/36/12/350363612.db2.gz HQRSYHZQMWOHBJ-RKDXNWHRSA-N 0 3 236.271 0.290 20 0 BCADHN Cc1nn(-c2ccncc2)cc1CN(C)CCO ZINC000346147185 180331147 /nfs/dbraw/zinc/33/11/47/180331147.db2.gz VGRNQXVNHGSBRA-UHFFFAOYSA-N 0 3 246.314 1.000 20 0 BCADHN O=C(N[C@@]12C[C@@H]1CCC2)[C@@H]1CN2CCN1CCC2 ZINC000617211974 350381400 /nfs/dbraw/zinc/38/14/00/350381400.db2.gz RVLBAVKUTWJLTC-OBJOEFQTSA-N 0 3 249.358 0.435 20 0 BCADHN COCCC1(CNCc2cn(C)nn2)CC1 ZINC000225898213 350382247 /nfs/dbraw/zinc/38/22/47/350382247.db2.gz QOCXVDXDNUCDGZ-UHFFFAOYSA-N 0 3 224.308 0.721 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2C1 ZINC000328245558 350393480 /nfs/dbraw/zinc/39/34/80/350393480.db2.gz IBRJXTDBQDQIOF-GXSJLCMTSA-N 0 3 234.299 0.714 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000328245560 350393677 /nfs/dbraw/zinc/39/36/77/350393677.db2.gz IBRJXTDBQDQIOF-ONGXEEELSA-N 0 3 234.299 0.714 20 0 BCADHN CCOCCNCc1cnc(N(C)C)n1C ZINC000069718022 350393798 /nfs/dbraw/zinc/39/37/98/350393798.db2.gz PBURZTRNNRXRIQ-UHFFFAOYSA-N 0 3 226.324 0.612 20 0 BCADHN COC[C@@H](O)CNCc1cc(C)ccn1 ZINC000328261414 350394990 /nfs/dbraw/zinc/39/49/90/350394990.db2.gz LMIYANZNOYAYEH-NSHDSACASA-N 0 3 210.277 0.487 20 0 BCADHN CC1(C)OCC[C@H]1N[C@@H]1CCCS(=O)(=O)C1 ZINC000328259557 350395159 /nfs/dbraw/zinc/39/51/59/350395159.db2.gz RDIMTJVVSZUJKM-NXEZZACHSA-N 0 3 247.360 0.721 20 0 BCADHN COC(=O)CCN1CCSC[C@@H]1C ZINC000069761131 350397880 /nfs/dbraw/zinc/39/78/80/350397880.db2.gz UCLSRXCIIDTBDJ-QMMMGPOBSA-N 0 3 203.307 0.987 20 0 BCADHN CCn1nc(C)cc1C(=O)NCCN(C)C ZINC000040807804 350399879 /nfs/dbraw/zinc/39/98/79/350399879.db2.gz MZALFAGDFLDWRR-UHFFFAOYSA-N 0 3 224.308 0.503 20 0 BCADHN CN1CCC[C@H](NC(=O)NCC2(O)CCC2)C1 ZINC000606650409 350403347 /nfs/dbraw/zinc/40/33/47/350403347.db2.gz KVPSFTGOAXJWKY-JTQLQIEISA-N 0 3 241.335 0.295 20 0 BCADHN C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)C(C)(C)O ZINC000606650317 350403493 /nfs/dbraw/zinc/40/34/93/350403493.db2.gz IJZPDEOUUSRXHX-VHSXEESVSA-N 0 3 243.351 0.539 20 0 BCADHN CC(C)CN(CCS(=O)(=O)N(C)C)C1CC1 ZINC000336679768 350436428 /nfs/dbraw/zinc/43/64/28/350436428.db2.gz XBWODDYDURIWTG-UHFFFAOYSA-N 0 3 248.392 0.998 20 0 BCADHN Cc1nn(C)c(C)c1CNC(=O)C1(N)CCC1 ZINC000148422286 180337281 /nfs/dbraw/zinc/33/72/81/180337281.db2.gz PKNMUANGTHGINA-UHFFFAOYSA-N 0 3 236.319 0.535 20 0 BCADHN CC[C@@H]1CCCN1CCNS(=O)(=O)CC ZINC000336644578 350423480 /nfs/dbraw/zinc/42/34/80/350423480.db2.gz GRVMSVSDNKOJEW-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN Cc1nn(C)c(C)c1CN1CC[C@@H](CO)C1 ZINC000082829280 180338340 /nfs/dbraw/zinc/33/83/40/180338340.db2.gz BFIDPPIPKRCIAV-LLVKDONJSA-N 0 3 223.320 0.851 20 0 BCADHN Cc1nn(C)c(C)c1CNCCC[S@](C)=O ZINC000124215062 180341101 /nfs/dbraw/zinc/34/11/01/180341101.db2.gz VNPHLGVWGSLPKC-MRXNPFEDSA-N 0 3 243.376 0.895 20 0 BCADHN Cc1nn(C)c2ncc(CNC[C@H](C)O)cc12 ZINC000070165183 180365719 /nfs/dbraw/zinc/36/57/19/180365719.db2.gz IKKLNXBGJKJKOF-QMMMGPOBSA-N 0 3 234.303 0.747 20 0 BCADHN Cc1nn(C)cc1C(=O)NC[C@H]1CCCN1C ZINC000113185602 180368988 /nfs/dbraw/zinc/36/89/88/180368988.db2.gz IPWLTWDQNCAPHV-SNVBAGLBSA-N 0 3 236.319 0.553 20 0 BCADHN O=C1NCCCC[C@H]1N1CC[C@H](CCO)C1 ZINC000162902362 350460502 /nfs/dbraw/zinc/46/05/02/350460502.db2.gz SOIDPAVNJVIYPH-GHMZBOCLSA-N 0 3 226.320 0.359 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1C[C@@H]1N ZINC000331836910 180379111 /nfs/dbraw/zinc/37/91/11/180379111.db2.gz FOTWYMNCNCTHTB-YNEQXMIYSA-N 0 3 222.292 0.253 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCCOCC1 ZINC000070191466 350508712 /nfs/dbraw/zinc/50/87/12/350508712.db2.gz VNIXXPNIELLYSK-NSHDSACASA-N 0 3 217.309 0.495 20 0 BCADHN COCCN(C[C@@H](O)COC(C)C)C1CC1 ZINC000070187439 350512265 /nfs/dbraw/zinc/51/22/65/350512265.db2.gz XXHYJLKXGMREBD-GFCCVEGCSA-N 0 3 231.336 0.883 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC000163401325 350517607 /nfs/dbraw/zinc/51/76/07/350517607.db2.gz LLTOLMAITAJOMZ-BDAKNGLRSA-N 0 3 230.308 0.250 20 0 BCADHN CCc1cnc(CNC(=O)[C@H](CN)OC)s1 ZINC000227419029 350494675 /nfs/dbraw/zinc/49/46/75/350494675.db2.gz PJARXWRSFOIIMI-QMMMGPOBSA-N 0 3 243.332 0.295 20 0 BCADHN CC(C)CN(C)C(=O)C(N)C(F)(F)F ZINC000336748367 350496888 /nfs/dbraw/zinc/49/68/88/350496888.db2.gz DJKCIUCBKKWSDR-LURJTMIESA-N 0 3 212.215 0.990 20 0 BCADHN CNC(=O)C(C)(C)CNCc1ccc(CO)o1 ZINC000227604736 350502607 /nfs/dbraw/zinc/50/26/07/350502607.db2.gz PXDGQPWGCBCCOI-UHFFFAOYSA-N 0 3 240.303 0.634 20 0 BCADHN Cc1cc(CN(C[C@@H](C)O)[C@H](C)CO)ccn1 ZINC000621285277 350504809 /nfs/dbraw/zinc/50/48/09/350504809.db2.gz SUKVCNVWVXLUKE-VXGBXAGGSA-N 0 3 238.331 0.954 20 0 BCADHN COC(=O)CCN1CCCO[C@H](C)C1 ZINC000061919396 350533580 /nfs/dbraw/zinc/53/35/80/350533580.db2.gz GLJIFIOIFKVOOX-SECBINFHSA-N 0 3 201.266 0.660 20 0 BCADHN CC1(C)CN(C(=O)CCc2cncnc2)CCN1 ZINC000577490447 365966806 /nfs/dbraw/zinc/96/68/06/365966806.db2.gz XMRBDVJRBAPTQT-UHFFFAOYSA-N 0 3 248.330 0.620 20 0 BCADHN COCCN(CC(C)C)[C@H](C)C(N)=O ZINC000061679176 350525344 /nfs/dbraw/zinc/52/53/44/350525344.db2.gz UMBAFFBEQPKPCI-SECBINFHSA-N 0 3 202.298 0.465 20 0 BCADHN COCCN(CC(C)C)[C@@H](C)C(N)=O ZINC000061679175 350525426 /nfs/dbraw/zinc/52/54/26/350525426.db2.gz UMBAFFBEQPKPCI-VIFPVBQESA-N 0 3 202.298 0.465 20 0 BCADHN Cc1nnc(CN2C[C@@H](C)N(C)[C@H](C)C2)n1C ZINC000336888160 180410418 /nfs/dbraw/zinc/41/04/18/180410418.db2.gz JOVCZCYDUYSAPU-NXEZZACHSA-N 0 3 237.351 0.648 20 0 BCADHN CC1(C)CN(C(=O)[C@H]2CCCO2)CCN1 ZINC000062570559 350547841 /nfs/dbraw/zinc/54/78/41/350547841.db2.gz USVHPCAGCZZCFY-SECBINFHSA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@@H](COC)N[C@@H]1CCS(=O)(=O)C1 ZINC000070623637 350551344 /nfs/dbraw/zinc/55/13/44/350551344.db2.gz IUKUZBUYDACHIP-DTWKUNHWSA-N 0 3 221.322 0.188 20 0 BCADHN CC[C@H](COC)N[C@H]1CCS(=O)(=O)C1 ZINC000070623640 350551642 /nfs/dbraw/zinc/55/16/42/350551642.db2.gz IUKUZBUYDACHIP-BDAKNGLRSA-N 0 3 221.322 0.188 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCN1CC[C@H](C)C1 ZINC000309409204 323381329 /nfs/dbraw/zinc/38/13/29/323381329.db2.gz XQNQVDLKMJDCRE-QWRGUYRKSA-N 0 3 248.392 0.351 20 0 BCADHN NC(=O)[C@@H]1CN(CC2CCCCC2)CCO1 ZINC000051130206 350604521 /nfs/dbraw/zinc/60/45/21/350604521.db2.gz FRYLJTHMSHZWJL-NSHDSACASA-N 0 3 226.320 0.753 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)NCCN(C)C ZINC000637456020 350590902 /nfs/dbraw/zinc/59/09/02/350590902.db2.gz CCHQJTVQUYZFDT-LMLFDSFASA-N 0 3 243.351 0.659 20 0 BCADHN C[C@@H](CO)NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000606704072 350599642 /nfs/dbraw/zinc/59/96/42/350599642.db2.gz NUQXXNUCIHJHLT-ONGXEEELSA-N 0 3 241.335 0.151 20 0 BCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC1 ZINC000606702829 350599704 /nfs/dbraw/zinc/59/97/04/350599704.db2.gz GLTLTRVPPYKTDK-LLVKDONJSA-N 0 3 223.320 0.886 20 0 BCADHN CN1CCC[C@@H]1CN(CCO)CC(F)F ZINC000386355717 362971778 /nfs/dbraw/zinc/97/17/78/362971778.db2.gz VIFSKTZQEYHQOM-SECBINFHSA-N 0 3 222.279 0.640 20 0 BCADHN COC[C@H]1CCN(CCn2ccccc2=O)C1 ZINC000606897783 350622826 /nfs/dbraw/zinc/62/28/26/350622826.db2.gz UJNMICYVRZLLHY-LBPRGKRZSA-N 0 3 236.315 0.817 20 0 BCADHN OCCOCCN1CCC[C@@H](n2ccnc2)C1 ZINC000606897866 350623772 /nfs/dbraw/zinc/62/37/72/350623772.db2.gz KRYFVVYATANIEN-GFCCVEGCSA-N 0 3 239.319 0.529 20 0 BCADHN C/C=C\CNC(=O)NC[C@@](C)(O)CN(C)C ZINC000637487666 350647586 /nfs/dbraw/zinc/64/75/86/350647586.db2.gz UHMFXOXDJLICAX-ISALQUGTSA-N 0 3 229.324 0.174 20 0 BCADHN C/C=C/CNC(=O)NC[C@](C)(O)CN(C)C ZINC000637487668 350647622 /nfs/dbraw/zinc/64/76/22/350647622.db2.gz UHMFXOXDJLICAX-QRGHLMKCSA-N 0 3 229.324 0.174 20 0 BCADHN C/C=C\CNC(=O)N(CCOC)CCN(C)C ZINC000637488848 350651719 /nfs/dbraw/zinc/65/17/19/350651719.db2.gz RXLWBXFOYCCRRY-WAYWQWQTSA-N 0 3 243.351 0.782 20 0 BCADHN C[C@H]1CCCN1C(=O)CNC[C@H]1CCCO1 ZINC000157336182 191116545 /nfs/dbraw/zinc/11/65/45/191116545.db2.gz FTASBUGWLMVAAA-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H]1CN(C)CCN1C(=O)CCc1cnc[nH]1 ZINC000335616144 538097539 /nfs/dbraw/zinc/09/75/39/538097539.db2.gz CBVNXIXWVLXICT-JTQLQIEISA-N 0 3 236.319 0.505 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CO)C1CCC1 ZINC000617305257 350713886 /nfs/dbraw/zinc/71/38/86/350713886.db2.gz KRWUOWRODSLQIJ-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CN1CCC(C(=O)N[C@H](CO)C2CCC2)CC1 ZINC000617306905 350715091 /nfs/dbraw/zinc/71/50/91/350715091.db2.gz MYBPZCBMSAOIJW-GFCCVEGCSA-N 0 3 240.347 0.605 20 0 BCADHN CCOC(=O)C[C@H](O)CN[C@H]1C[C@@H](O)C1(C)C ZINC000233993398 350688879 /nfs/dbraw/zinc/68/88/79/350688879.db2.gz XWORODJIMORSBF-LPEHRKFASA-N 0 3 245.319 0.050 20 0 BCADHN CCOC(=O)C[C@H](O)CN[C@]1(C)CCO[C@@H]1C ZINC000233993573 350688935 /nfs/dbraw/zinc/68/89/35/350688935.db2.gz CKXWNNINFUNIBH-JFGNBEQYSA-N 0 3 245.319 0.458 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)NCCN(C)C)C1 ZINC000637545098 350692728 /nfs/dbraw/zinc/69/27/28/350692728.db2.gz KHRILXFGHOUKHQ-KYZUINATSA-N 0 3 215.297 0.025 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)N(C)CCN(C)C)C1 ZINC000637545781 350695418 /nfs/dbraw/zinc/69/54/18/350695418.db2.gz KPPGTSMVYRAWEW-MGCOHNPYSA-N 0 3 229.324 0.367 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CO)C1CCC1)N(C)C ZINC000617308838 350716836 /nfs/dbraw/zinc/71/68/36/350716836.db2.gz URXCSPAVXWOCSN-WDEREUQCSA-N 0 3 228.336 0.604 20 0 BCADHN COC(=O)Cc1cccc(NC(=O)C2(N)CC2)c1 ZINC000237224367 350747862 /nfs/dbraw/zinc/74/78/62/350747862.db2.gz DJEIZWHYHAZWHR-UHFFFAOYSA-N 0 3 248.282 0.832 20 0 BCADHN COC(=O)CCN1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000323636274 350756579 /nfs/dbraw/zinc/75/65/79/350756579.db2.gz QOWPOYZRKHXVKM-ZJUUUORDSA-N 0 3 227.304 0.906 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC(=O)NC(C)(C)C ZINC000035661188 358457709 /nfs/dbraw/zinc/45/77/09/358457709.db2.gz KXXZRDCQFHRPLI-SCZZXKLOSA-N 0 3 243.351 0.391 20 0 BCADHN CC[C@@H](O)CN1CC[C@@H](N2CCCC2=O)C1 ZINC000339055933 350729668 /nfs/dbraw/zinc/72/96/68/350729668.db2.gz HNDUPTVZDOQZHP-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN NC(=O)NC(=O)CN1C[C@@H]2CCCC[C@H]2C1 ZINC000177518495 366004509 /nfs/dbraw/zinc/00/45/09/366004509.db2.gz SGTYADILMBRPAB-IUCAKERBSA-N 0 3 225.292 0.303 20 0 BCADHN OC[C@H]1CN(Cc2cccc3n[nH]cc32)C[C@H]1O ZINC000628308281 350781531 /nfs/dbraw/zinc/78/15/31/350781531.db2.gz FRBUSJLUIWZAEA-ZWNOBZJWSA-N 0 3 247.298 0.348 20 0 BCADHN Cc1c(NC(=O)CNC2CC2)cnn1C ZINC000309516997 323421768 /nfs/dbraw/zinc/42/17/68/323421768.db2.gz AEDNAQLBNYUGPA-UHFFFAOYSA-N 0 3 208.265 0.419 20 0 BCADHN C[C@@]1(C(=O)N2CCS(=O)CC2)CCCCN1 ZINC000159577524 350903864 /nfs/dbraw/zinc/90/38/64/350903864.db2.gz AMWWYIDTYMPUHO-NSHDSACASA-N 0 3 244.360 0.110 20 0 BCADHN Cc1occc1C(=O)NC[C@@H]1CNCCO1 ZINC000036285380 180538513 /nfs/dbraw/zinc/53/85/13/180538513.db2.gz PGDISQUROUCOHV-VIFPVBQESA-N 0 3 224.260 0.306 20 0 BCADHN CC[C@H](Cn1cncn1)N[C@@H]1COC[C@H]1OC ZINC000577609515 366015976 /nfs/dbraw/zinc/01/59/76/366015976.db2.gz AELKWUWIZCYPKU-GMTAPVOTSA-N 0 3 240.307 0.060 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000397646857 350957009 /nfs/dbraw/zinc/95/70/09/350957009.db2.gz VJOBHGSRMFIKAB-UWVGGRQHSA-N 0 3 226.320 0.215 20 0 BCADHN c1n[nH]cc1CNCCCOC[C@@H]1CCOC1 ZINC000607166824 351028795 /nfs/dbraw/zinc/02/87/95/351028795.db2.gz FMLYDYTUTISOIM-NSHDSACASA-N 0 3 239.319 0.943 20 0 BCADHN CCCN(CC(N)=O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000607154594 351031364 /nfs/dbraw/zinc/03/13/64/351031364.db2.gz HJWNBCXEMXBNSZ-YUSALJHKSA-N 0 3 240.347 0.997 20 0 BCADHN Cc1ocnc1CNC(=O)[C@@H](N)CC(C)C ZINC000158070011 180551494 /nfs/dbraw/zinc/55/14/94/180551494.db2.gz CWDSZEKFXDIFQI-VIFPVBQESA-N 0 3 225.292 0.973 20 0 BCADHN CN(C(=O)N1CCOCC1)C1CCN(C)CC1 ZINC000107290928 351066004 /nfs/dbraw/zinc/06/60/04/351066004.db2.gz ATSVZYRBAZFKOG-UHFFFAOYSA-N 0 3 241.335 0.465 20 0 BCADHN CC(C)=CCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192637403 191129544 /nfs/dbraw/zinc/12/95/44/191129544.db2.gz ZFMMXVDMFUVVNQ-GFCCVEGCSA-N 0 3 237.303 0.627 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)NCC(F)(F)F)C1 ZINC000122393958 363004812 /nfs/dbraw/zinc/00/48/12/363004812.db2.gz LMLKWPYPDKQTJT-ZETCQYMHSA-N 0 3 239.241 0.894 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCO[C@H](C)[C@H]1C ZINC000380487894 351151554 /nfs/dbraw/zinc/15/15/54/351151554.db2.gz APNRHOKCOUVCOI-BBBLOLIVSA-N 0 3 214.309 0.606 20 0 BCADHN CC(C)CN1CCN(C(=O)c2cnc[nH]2)CC1 ZINC000263716967 351178516 /nfs/dbraw/zinc/17/85/16/351178516.db2.gz WBAYFXSDBXECOR-UHFFFAOYSA-N 0 3 236.319 0.824 20 0 BCADHN CN(CCNC(=O)C1(O)CCCCC1)C1CC1 ZINC000086567146 363014725 /nfs/dbraw/zinc/01/47/25/363014725.db2.gz ALJQFDDQTQVAIN-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](COC)C(C)C ZINC000083399375 351232395 /nfs/dbraw/zinc/23/23/95/351232395.db2.gz WFQCDTAVOOMZHG-IUCAKERBSA-N 0 3 202.298 0.382 20 0 BCADHN CCCNC(=O)CN[C@H](COC)C(C)C ZINC000083399835 351232627 /nfs/dbraw/zinc/23/26/27/351232627.db2.gz FBZZSMADBQLZRO-SNVBAGLBSA-N 0 3 216.325 0.773 20 0 BCADHN Cc1ncc(CNCC[C@]2(O)CCOC2)o1 ZINC000628324358 351236771 /nfs/dbraw/zinc/23/67/71/351236771.db2.gz PXKARDAHAPATQA-NSHDSACASA-N 0 3 226.276 0.614 20 0 BCADHN C[C@H]1COCCN(C(=O)C(C)(C)N)C1 ZINC000306985737 351403135 /nfs/dbraw/zinc/40/31/35/351403135.db2.gz NWUSNHRCMQZVPR-MRVPVSSYSA-N 0 3 200.282 0.219 20 0 BCADHN CCc1nc(CCNC(=O)[C@@H](N)C(C)C)no1 ZINC000269058654 351345461 /nfs/dbraw/zinc/34/54/61/351345461.db2.gz SWZNDSZOCIFNSM-JTQLQIEISA-N 0 3 240.307 0.274 20 0 BCADHN CCC[C@H](N)C(=O)NCC(=O)NC(C)(C)C ZINC000036873242 358463727 /nfs/dbraw/zinc/46/37/27/358463727.db2.gz DPDJPZSTESFCFQ-QMMMGPOBSA-N 0 3 229.324 0.145 20 0 BCADHN C[C@H]1CCCC[C@H]1NCc1nnnn1C ZINC000380130672 351363917 /nfs/dbraw/zinc/36/39/17/351363917.db2.gz SSWBDLKTSQFMRU-DTWKUNHWSA-N 0 3 209.297 0.878 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)NCCN(C)C)[C@H](C)O1 ZINC000637653818 351450977 /nfs/dbraw/zinc/45/09/77/351450977.db2.gz ITLUZOGPXIOZFC-KXUCPTDWSA-N 0 3 229.324 0.413 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)NCCN(C)C)[C@H](C)O1 ZINC000637653821 351451307 /nfs/dbraw/zinc/45/13/07/351451307.db2.gz ITLUZOGPXIOZFC-UTLUCORTSA-N 0 3 229.324 0.413 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N(C)CCN(C)C)[C@H](C)O1 ZINC000637654343 351459228 /nfs/dbraw/zinc/45/92/28/351459228.db2.gz KTGGAJPVQKRLON-OUAUKWLOSA-N 0 3 243.351 0.755 20 0 BCADHN CN1CCOC[C@@H]1CNCC1(F)CC1 ZINC000623712919 363058480 /nfs/dbraw/zinc/05/84/80/363058480.db2.gz OOERTYCVYTWLMT-VIFPVBQESA-N 0 3 202.273 0.409 20 0 BCADHN NC1(C(=O)NC[C@@H]2CCCCO2)CCC1 ZINC000088050892 351538152 /nfs/dbraw/zinc/53/81/52/351538152.db2.gz XCTDPGFJGGDRJR-VIFPVBQESA-N 0 3 212.293 0.553 20 0 BCADHN C[C@H]1CN(C(=O)C2(N)CCC2)CC(C)(C)O1 ZINC000088050956 351539377 /nfs/dbraw/zinc/53/93/77/351539377.db2.gz 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220.272 0.855 20 0 BCADHN CCn1cc(C(=O)N2CCCNCC2)c(C)n1 ZINC000637803654 351639803 /nfs/dbraw/zinc/63/98/03/351639803.db2.gz LTCSXUJIPTVQDD-UHFFFAOYSA-N 0 3 236.319 0.647 20 0 BCADHN C[C@H]1CNCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000637817232 351661681 /nfs/dbraw/zinc/66/16/81/351661681.db2.gz QGGADCQMXRHILA-IVZWLZJFSA-N 0 3 234.303 0.334 20 0 BCADHN C[C@H]1CNCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000637817232 351661683 /nfs/dbraw/zinc/66/16/83/351661683.db2.gz QGGADCQMXRHILA-IVZWLZJFSA-N 0 3 234.303 0.334 20 0 BCADHN CCC(CC)(CC)CNC(=O)C(=O)NCCN ZINC000391115132 259420007 /nfs/dbraw/zinc/42/00/07/259420007.db2.gz WKSQHUAQQOUVPN-UHFFFAOYSA-N 0 3 243.351 0.394 20 0 BCADHN CC[C@@H](C)[C@@H](CN1CCN(CCO)CC1)OC ZINC000637810260 351650351 /nfs/dbraw/zinc/65/03/51/351650351.db2.gz DFGMEFWJWBVTCL-CHWSQXEVSA-N 0 3 244.379 0.657 20 0 BCADHN Cc1cncn1CC(=O)N1CCNC[C@H]1C ZINC000637818927 351659207 /nfs/dbraw/zinc/65/92/07/351659207.db2.gz NNYCSBYUXOCZEW-SNVBAGLBSA-N 0 3 222.292 0.012 20 0 BCADHN 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ZINC000637863683 351724736 /nfs/dbraw/zinc/72/47/36/351724736.db2.gz GOZYOONZSHAKDD-SNVBAGLBSA-N 0 3 237.303 0.303 20 0 BCADHN CC(C)=C(C)CC(=O)N1CCN(C)C[C@@H]1CN ZINC000637865710 351725510 /nfs/dbraw/zinc/72/55/10/351725510.db2.gz DLEHNPWTZMXCTR-LBPRGKRZSA-N 0 3 239.363 0.834 20 0 BCADHN CN(CCC[C@H]1CCO1)CC(=O)N(C)C ZINC000637865320 351728336 /nfs/dbraw/zinc/72/83/36/351728336.db2.gz XTGBGPNBSLHLFI-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN Cn1cc(CCCNCc2cncn2C)cn1 ZINC000237778608 180639210 /nfs/dbraw/zinc/63/92/10/180639210.db2.gz QIVVVOUKMDKSIY-UHFFFAOYSA-N 0 3 233.319 0.876 20 0 BCADHN COC[C@@]1(C(=O)N2CCCC2)CCCCN1 ZINC000637868030 351732357 /nfs/dbraw/zinc/73/23/57/351732357.db2.gz LTSILQGFLWRKAS-GFCCVEGCSA-N 0 3 226.320 0.768 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)Nc1ccccc1F ZINC000637872202 351734609 /nfs/dbraw/zinc/73/46/09/351734609.db2.gz YUNBZVPFFYMSSU-SCZZXKLOSA-N 0 3 224.235 0.880 20 0 BCADHN C[C@H]1CCCCN1C(=O)[C@@H]1OCC[C@@H]1N ZINC000637874808 351739634 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CCN[C@@H](C)C(=O)N(C)Cc1c[nH]cn1 ZINC000638404002 352210463 /nfs/dbraw/zinc/21/04/63/352210463.db2.gz WZDQUMIKHCCEQG-QMMMGPOBSA-N 0 3 210.281 0.366 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](CO)C1CCC1 ZINC000638405349 352211999 /nfs/dbraw/zinc/21/19/99/352211999.db2.gz YERZSCJCXKSJFP-PSASIEDQSA-N 0 3 214.309 0.262 20 0 BCADHN CC1(C)C[C@@H]1NCc1cnc(N)nc1N ZINC000638406372 352215161 /nfs/dbraw/zinc/21/51/61/352215161.db2.gz HHAGMPQKQIEGHM-ZETCQYMHSA-N 0 3 207.281 0.190 20 0 BCADHN C[C@H](CO)CNCc1cc2c(cn1)OCCO2 ZINC000638415065 352224928 /nfs/dbraw/zinc/22/49/28/352224928.db2.gz FIVSSFHUWKQWME-VIFPVBQESA-N 0 3 238.287 0.571 20 0 BCADHN CC[C@H](C(=O)N1CC2(C1)CCOCC2)N(C)C ZINC000613347920 363131191 /nfs/dbraw/zinc/13/11/91/363131191.db2.gz VSCGCCFIYGDXNY-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@H](C)O1 ZINC000638420872 352228828 /nfs/dbraw/zinc/22/88/28/352228828.db2.gz QAPDKDZXNSXQKL-VPOLOUISSA-N 0 3 242.319 0.129 20 0 BCADHN CCc1nnc(CN2CCCN(C)CC2)[nH]1 ZINC000411152482 191164818 /nfs/dbraw/zinc/16/48/18/191164818.db2.gz GNWSHICZCWVMBF-UHFFFAOYSA-N 0 3 223.324 0.505 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCC[C@H]1CCCOC1 ZINC000638455377 352264923 /nfs/dbraw/zinc/26/49/23/352264923.db2.gz AYTMBQXTWZVHLS-MNOVXSKESA-N 0 3 240.347 0.917 20 0 BCADHN CCN[C@@H](C)C(=O)NCC[C@H]1CCCOC1 ZINC000638454273 352267234 /nfs/dbraw/zinc/26/72/34/352267234.db2.gz FVQRYVGCVQWEJP-WDEREUQCSA-N 0 3 228.336 0.917 20 0 BCADHN CCN[C@@H](C)C(=O)NCC[C@@H]1CCCOC1 ZINC000638454272 352267698 /nfs/dbraw/zinc/26/76/98/352267698.db2.gz FVQRYVGCVQWEJP-QWRGUYRKSA-N 0 3 228.336 0.917 20 0 BCADHN CN1CCCN(CC(=O)NCC2CCC2)CC1 ZINC000411150069 191165314 /nfs/dbraw/zinc/16/53/14/191165314.db2.gz UUMPQFJZLVAXLX-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN CN[C@@H](C)C(=O)NCC[C@H]1CCCOC1 ZINC000638456995 352271249 /nfs/dbraw/zinc/27/12/49/352271249.db2.gz LZJFMSJQOXRHDH-VHSXEESVSA-N 0 3 214.309 0.527 20 0 BCADHN CCC[C@@H](CNC(=O)[C@H](C)N)OCC ZINC000638459808 352271923 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/nfs/dbraw/zinc/29/64/60/352296460.db2.gz CEEJVKHXVDHLJP-IUCAKERBSA-N 0 3 249.305 0.425 20 0 BCADHN CC(C)[C@@H]1CNCCN1C(=O)[C@H](C)N(C)C ZINC000638489457 352300583 /nfs/dbraw/zinc/30/05/83/352300583.db2.gz KYXHGABCUNWWJX-QWRGUYRKSA-N 0 3 227.352 0.393 20 0 BCADHN CC[C@@H](C(=O)N1CCNC[C@@H]1C(C)C)N(C)C ZINC000638491411 352302402 /nfs/dbraw/zinc/30/24/02/352302402.db2.gz IDYOOALJGJLUJD-NWDGAFQWSA-N 0 3 241.379 0.783 20 0 BCADHN O=C(CNC[C@H]1CCCO1)NCC1CC=CC1 ZINC000638490911 352303941 /nfs/dbraw/zinc/30/39/41/352303941.db2.gz CZGMRZGEZOLQBM-GFCCVEGCSA-N 0 3 238.331 0.837 20 0 BCADHN CCN(Cc1cnc(N(C)C)nc1)[C@H](C)CO ZINC000292847161 352330728 /nfs/dbraw/zinc/33/07/28/352330728.db2.gz SXFXADJSRQCROH-SNVBAGLBSA-N 0 3 238.335 0.745 20 0 BCADHN CCN[C@H](C)C(=O)N[C@]12C[C@H]1COC2(C)C ZINC000638508868 352331364 /nfs/dbraw/zinc/33/13/64/352331364.db2.gz JEFLWCWHRDSAMS-VDDIYKPWSA-N 0 3 226.320 0.668 20 0 BCADHN CC(C)C[C@H](C(N)=O)C(=O)NC[C@H](C)N(C)C ZINC000411376574 191182013 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BCADHN CO[C@@H]1CCCC[C@@H]1NC[C@H](C)S(C)(=O)=O ZINC000411565346 191193675 /nfs/dbraw/zinc/19/36/75/191193675.db2.gz XIQIRFNKDZJKMC-GARJFASQSA-N 0 3 249.376 0.967 20 0 BCADHN O=C(CNC[C@H]1CCCO1)N(C1CC1)C1CC1 ZINC000638574143 352403882 /nfs/dbraw/zinc/40/38/82/352403882.db2.gz QLDJAMNKUHULBT-GFCCVEGCSA-N 0 3 238.331 0.908 20 0 BCADHN C[C@H](CO)[C@H](C)NCC(=O)N1CCCC[C@@H]1C ZINC000411537494 191194438 /nfs/dbraw/zinc/19/44/38/191194438.db2.gz VKUXOKQAXFMGHV-WOPDTQHZSA-N 0 3 242.363 0.994 20 0 BCADHN O=C(C[C@H]1CNCCO1)N(C1CC1)C1CC1 ZINC000638574738 352405265 /nfs/dbraw/zinc/40/52/65/352405265.db2.gz YUWTUDVYZIALNH-NSHDSACASA-N 0 3 224.304 0.518 20 0 BCADHN Cc1nnc([C@@H](C)N2C[C@@H]3CCN(C)[C@@H]3C2)[nH]1 ZINC000411787099 191212476 /nfs/dbraw/zinc/21/24/76/191212476.db2.gz KJYHDMVUGDCLAQ-DVVUODLYSA-N 0 3 235.335 0.810 20 0 BCADHN CCn1nccc1CN[C@@H]1CNCCC1(F)F ZINC000414997592 352454005 /nfs/dbraw/zinc/45/40/05/352454005.db2.gz HWEGGWRMTUTNBW-SNVBAGLBSA-N 0 3 244.289 0.990 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1Cc2ccccc2NC1=O ZINC000638623428 352461134 /nfs/dbraw/zinc/46/11/34/352461134.db2.gz DQSQEEXLBVIPNE-XCBNKYQSSA-N 0 3 233.271 0.013 20 0 BCADHN CNCC(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000638627413 352464280 /nfs/dbraw/zinc/46/42/80/352464280.db2.gz GCUMABXTXOXARJ-ODHVRURNSA-N 0 3 200.282 0.134 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)CNC1CC1 ZINC000638628421 352467403 /nfs/dbraw/zinc/46/74/03/352467403.db2.gz KILJOHZYFGKDAD-SREGZZRCSA-N 0 3 226.320 0.667 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000638630199 352468929 /nfs/dbraw/zinc/46/89/29/352468929.db2.gz QVCRGRYVNFQVHS-MBGOZMDMSA-N 0 3 214.309 0.652 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000638630201 352469301 /nfs/dbraw/zinc/46/93/01/352469301.db2.gz QVCRGRYVNFQVHS-SPFKKGSWSA-N 0 3 214.309 0.652 20 0 BCADHN CC(C)(NCc1cnc(N)nc1N)C1CC1 ZINC000638629215 352469764 /nfs/dbraw/zinc/46/97/64/352469764.db2.gz USDSJBAVHVGPRW-UHFFFAOYSA-N 0 3 221.308 0.580 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000638629361 352469977 /nfs/dbraw/zinc/46/99/77/352469977.db2.gz NDRXTQRGLZAVMF-KGDYZURWSA-N 0 3 214.309 0.522 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)C1(N)CCC1 ZINC000638630745 352473063 /nfs/dbraw/zinc/47/30/63/352473063.db2.gz SWRMMKPZFVKSDJ-AXTSPUMRSA-N 0 3 226.320 0.796 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000638632159 352473744 /nfs/dbraw/zinc/47/37/44/352473744.db2.gz YCZQRCXAXVOALR-LJASKYJCSA-N 0 3 200.282 0.262 20 0 BCADHN CCN1CCC(NC(=O)c2ccnn2C)CC1 ZINC000299665798 352544157 /nfs/dbraw/zinc/54/41/57/352544157.db2.gz XCFVGAVSCLLUBC-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCCC(=O)OC(C)(C)C ZINC000411826575 191214331 /nfs/dbraw/zinc/21/43/31/191214331.db2.gz XHQBBRKLMGVQIY-VHSXEESVSA-N 0 3 245.319 0.722 20 0 BCADHN Cc1nccn1CCCCNCc1ncnn1C ZINC000638675587 352515458 /nfs/dbraw/zinc/51/54/58/352515458.db2.gz XFEXUGSQFZCVKO-UHFFFAOYSA-N 0 3 248.334 0.890 20 0 BCADHN CCN1CCC(NC(=O)c2cnsn2)CC1 ZINC000298983491 352517329 /nfs/dbraw/zinc/51/73/29/352517329.db2.gz PRWOCIRPUJCNBI-UHFFFAOYSA-N 0 3 240.332 0.752 20 0 BCADHN N[C@H](C(=O)N1CCO[C@@H](CCF)C1)C1CCC1 ZINC000638683435 352520396 /nfs/dbraw/zinc/52/03/96/352520396.db2.gz HTEJNQOWCGLHBW-QWRGUYRKSA-N 0 3 244.310 0.701 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCO[C@@H](CCF)C1 ZINC000638684973 352522919 /nfs/dbraw/zinc/52/29/19/352522919.db2.gz WJGLIPQCDGBVJJ-VHSXEESVSA-N 0 3 232.299 0.557 20 0 BCADHN C/C=C\CNC(=O)[C@@H]1CNCCC1(F)F ZINC000638690408 352526651 /nfs/dbraw/zinc/52/66/51/352526651.db2.gz RIZNRCBVDHUNLW-KZUAUGPASA-N 0 3 218.247 0.924 20 0 BCADHN C/C=C\CNC(=O)CNC[C@H]1CCCO1 ZINC000638688316 352527686 /nfs/dbraw/zinc/52/76/86/352527686.db2.gz DWAHXDJRUDMMKY-MXQLGCADSA-N 0 3 212.293 0.447 20 0 BCADHN C/C=C\CNC(=O)CNC[C@@H]1CCCO1 ZINC000638688320 352527745 /nfs/dbraw/zinc/52/77/45/352527745.db2.gz DWAHXDJRUDMMKY-ZMWSMAPVSA-N 0 3 212.293 0.447 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000638694890 352532850 /nfs/dbraw/zinc/53/28/50/352532850.db2.gz JNEVZIDSLVSHBZ-HBNTYKKESA-N 0 3 238.331 0.668 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000638694882 352532975 /nfs/dbraw/zinc/53/29/75/352532975.db2.gz JMMGWUBSBISHQM-RKDXNWHRSA-N 0 3 212.293 0.407 20 0 BCADHN CC(=O)CCN1CC[C@@H](CN2CCOCC2)C1 ZINC000129176801 187744655 /nfs/dbraw/zinc/74/46/55/187744655.db2.gz DDAFTQNFRMXUBS-CYBMUJFWSA-N 0 3 240.347 0.620 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCc1cnccn1 ZINC000353338059 187744690 /nfs/dbraw/zinc/74/46/90/187744690.db2.gz RNBGMBLKODPASW-JTQLQIEISA-N 0 3 222.292 0.119 20 0 BCADHN CC(C)(N)C(=O)NCc1nnc2ccccn21 ZINC000040925166 352600402 /nfs/dbraw/zinc/60/04/02/352600402.db2.gz SKWUUAQTHHCISR-UHFFFAOYSA-N 0 3 233.275 0.083 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCc1cnn(C)c1 ZINC000041055088 352601110 /nfs/dbraw/zinc/60/11/10/352601110.db2.gz SBBJLDBTYIOPHU-PSASIEDQSA-N 0 3 224.308 0.410 20 0 BCADHN C[C@@H](N)C(=O)NCCCOC[C@H]1CCCO1 ZINC000040826214 352604561 /nfs/dbraw/zinc/60/45/61/352604561.db2.gz YYPAVEMJXCKXFQ-NXEZZACHSA-N 0 3 230.308 0.036 20 0 BCADHN CCC1(CNCc2cnc(N)nc2N)CC1 ZINC000638721699 352572804 /nfs/dbraw/zinc/57/28/04/352572804.db2.gz MVFBILNVJXVOIA-UHFFFAOYSA-N 0 3 221.308 0.582 20 0 BCADHN CCC1(CNCc2cnc(N)nc2N)CCC1 ZINC000638725742 352579955 /nfs/dbraw/zinc/57/99/55/352579955.db2.gz IIORUAGAUNUHPM-UHFFFAOYSA-N 0 3 235.335 0.972 20 0 BCADHN O=C(CNC[C@H]1CCCO1)NC1(C(F)F)CC1 ZINC000638726870 352585491 /nfs/dbraw/zinc/58/54/91/352585491.db2.gz WMSLANVBUQADTD-MRVPVSSYSA-N 0 3 248.273 0.669 20 0 BCADHN CC[C@@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC000030142279 352671623 /nfs/dbraw/zinc/67/16/23/352671623.db2.gz DCDPZEMGMYFDPR-MRVPVSSYSA-N 0 3 213.281 0.303 20 0 BCADHN C[C@H]1C[C@H](NCC2CC2)C(=O)N1c1cnn(C)c1 ZINC000608075667 352671919 /nfs/dbraw/zinc/67/19/19/352671919.db2.gz NXGMMVWARYWIDS-CABZTGNLSA-N 0 3 248.330 0.914 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726725 352655393 /nfs/dbraw/zinc/65/53/93/352655393.db2.gz QCFDREIZSMTBLZ-MFKMUULPSA-N 0 3 239.363 0.857 20 0 BCADHN COC[C@@H]1C[C@H](O)CN1C[C@@H]1CCCCO1 ZINC000411922927 191227549 /nfs/dbraw/zinc/22/75/49/191227549.db2.gz MNHDWWFXSQAECV-SRVKXCTJSA-N 0 3 229.320 0.637 20 0 BCADHN COC[C@@H]1C[C@H](O)CN1CCOC1CCC1 ZINC000411908641 191228654 /nfs/dbraw/zinc/22/86/54/191228654.db2.gz IFQQGMZDULKSJN-QWRGUYRKSA-N 0 3 229.320 0.637 20 0 BCADHN COC(=O)[C@H]1CN(C)CCN(C[C@H](C)OC)C1 ZINC000411912720 191228665 /nfs/dbraw/zinc/22/86/65/191228665.db2.gz IJIVAHMFWWACKX-QWRGUYRKSA-N 0 3 244.335 0.058 20 0 BCADHN CN(C)C(=O)C1(NCCN2CCCCC2)CC1 ZINC000411908973 191228891 /nfs/dbraw/zinc/22/88/91/191228891.db2.gz FPJMBNGIVNMVLJ-UHFFFAOYSA-N 0 3 239.363 0.683 20 0 BCADHN CCCC(=O)NCC(=O)N[C@H]1CCCN(C)C1 ZINC000617414582 352622145 /nfs/dbraw/zinc/62/21/45/352622145.db2.gz LZVCZSVFPCZSHJ-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000617415474 352626082 /nfs/dbraw/zinc/62/60/82/352626082.db2.gz CVVIEGJLZQYHDN-GARJFASQSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cccc(F)c1N ZINC000638758425 352693807 /nfs/dbraw/zinc/69/38/07/352693807.db2.gz BHFBGUTUWUMEFR-ZETCQYMHSA-N 0 3 225.267 0.761 20 0 BCADHN CCn1ncnc1CN[C@H]1CC[C@@H](CO)CC1 ZINC000638760877 352695790 /nfs/dbraw/zinc/69/57/90/352695790.db2.gz UBRKZQIGIAKEEZ-PHIMTYICSA-N 0 3 238.335 0.939 20 0 BCADHN CCN(CC)CC(=O)N(C)C1(COC)CC1 ZINC000617471744 352718910 /nfs/dbraw/zinc/71/89/10/352718910.db2.gz RFVAUZIVBBTVNJ-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CCOC(=O)C[C@@H](O)CN[C@@]1(CC)CCOC1 ZINC000383295635 352713770 /nfs/dbraw/zinc/71/37/70/352713770.db2.gz KVRDSSNHVQGCLF-PWSUYJOCSA-N 0 3 245.319 0.459 20 0 BCADHN CC(=O)NCCCN[C@@H](CO)c1ccsc1 ZINC000336660363 187817730 /nfs/dbraw/zinc/81/77/30/187817730.db2.gz JPDJYCMDYSYRDZ-NSHDSACASA-N 0 3 242.344 0.897 20 0 BCADHN Cn1cncc1CNCCSCCCO ZINC000105643069 180787458 /nfs/dbraw/zinc/78/74/58/180787458.db2.gz YKKGWWFGLWLCRJ-UHFFFAOYSA-N 0 3 229.349 0.625 20 0 BCADHN CCCCOCCN[C@H]1C(=O)NCC[C@@H]1C ZINC000336746624 352740741 /nfs/dbraw/zinc/74/07/41/352740741.db2.gz WPRWLEZEPHYORG-WDEREUQCSA-N 0 3 228.336 0.917 20 0 BCADHN CO[C@@]1(C)CCCN([C@@H]2CCNC2=O)C1 ZINC000334186688 352775734 /nfs/dbraw/zinc/77/57/34/352775734.db2.gz GOHVXWDTAKCDGV-KOLCDFICSA-N 0 3 212.293 0.376 20 0 BCADHN CC(=O)N(C)CC(=O)NC[C@H](N)c1ccccc1 ZINC000237064497 187841130 /nfs/dbraw/zinc/84/11/30/187841130.db2.gz QVDHFCVZRVYPQX-LBPRGKRZSA-N 0 3 249.314 0.281 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@](O)(C2CC2)C1 ZINC000334179243 352766086 /nfs/dbraw/zinc/76/60/86/352766086.db2.gz AHWBONOLWNKVAL-BXKDBHETSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@H]1CN(C)CCN1CCc1ccnn1C ZINC000334181361 352768810 /nfs/dbraw/zinc/76/88/10/352768810.db2.gz BGDPKBXBKAPVER-LLVKDONJSA-N 0 3 222.336 0.599 20 0 BCADHN CC(C)[C@H](O)CC(=O)N1CCN(C)CC[C@H]1C ZINC000334215115 352814046 /nfs/dbraw/zinc/81/40/46/352814046.db2.gz BRTIHDQSBVMYLY-VXGBXAGGSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC(N(C)C)C1 ZINC000334215110 352814402 /nfs/dbraw/zinc/81/44/02/352814402.db2.gz QMWSJTQPZNYIDK-GHMZBOCLSA-N 0 3 239.363 0.632 20 0 BCADHN CN(C[C@@H]1COCCO1)[C@H]1CCSC1 ZINC000334216932 352816663 /nfs/dbraw/zinc/81/66/63/352816663.db2.gz GQEQXYCRQKGGMI-VHSXEESVSA-N 0 3 217.334 0.839 20 0 BCADHN Cc1c(CN2CC[C@@H](O)[C@H](C)C2)cnn1C ZINC000334217802 352818819 /nfs/dbraw/zinc/81/88/19/352818819.db2.gz XERRZZZFAWCFDX-BXKDBHETSA-N 0 3 223.320 0.931 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1C[C@H](O)C[C@H](C)C1 ZINC000412042177 191249289 /nfs/dbraw/zinc/24/92/89/191249289.db2.gz TZNHOAUKDFPZET-SDDRHHMPSA-N 0 3 242.363 0.944 20 0 BCADHN COC(=O)[C@H]1CSCCN(CC[C@H](C)O)C1 ZINC000412070324 191251034 /nfs/dbraw/zinc/25/10/34/191251034.db2.gz IAFWJCJISWDIKQ-VHSXEESVSA-N 0 3 247.360 0.595 20 0 BCADHN C[C@H]1[C@@H](CO)CCCN1CCN1CCCC1=O ZINC000412071448 191251087 /nfs/dbraw/zinc/25/10/87/191251087.db2.gz GYCRDBKJCXIQAV-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN CC(C)[C@@H]1CN([C@@H]2COC[C@H]2O)CCS1 ZINC000340276205 187858114 /nfs/dbraw/zinc/85/81/14/187858114.db2.gz DNFOJFPQXUVHKJ-MXWKQRLJSA-N 0 3 231.361 0.820 20 0 BCADHN CCCNC(=O)N1CCN2CCC1CC2 ZINC000334227410 352793166 /nfs/dbraw/zinc/79/31/66/352793166.db2.gz ARTGNMSBAQTFAA-UHFFFAOYSA-N 0 3 211.309 0.886 20 0 BCADHN CC[C@@]1(C)COCCN1C(=O)[C@@H]1CCN(C)C1 ZINC000334203446 352797086 /nfs/dbraw/zinc/79/70/86/352797086.db2.gz QSTVXZDFNCEZEG-YPMHNXCESA-N 0 3 240.347 0.966 20 0 BCADHN COC(=O)[C@@H]1CSCCN(C[C@H](C)O)C1 ZINC000412076367 191253277 /nfs/dbraw/zinc/25/32/77/191253277.db2.gz NBQTWJXNAOJROG-IUCAKERBSA-N 0 3 233.333 0.205 20 0 BCADHN CC(C)N(C)C(=O)CN1CCC[C@H](CO)[C@H]1C ZINC000412090520 191256393 /nfs/dbraw/zinc/25/63/93/191256393.db2.gz QFKXFAWFVPVMMP-VXGBXAGGSA-N 0 3 242.363 0.946 20 0 BCADHN CCOC(=O)C(C)(C)C(=O)NC[C@H](C)N(C)C ZINC000342838722 352865806 /nfs/dbraw/zinc/86/58/06/352865806.db2.gz DFMRYXMOYMVFTP-VIFPVBQESA-N 0 3 244.335 0.642 20 0 BCADHN COCCN(C[C@H]1CCC(=O)N1)C(C)C ZINC000412064476 191256806 /nfs/dbraw/zinc/25/68/06/191256806.db2.gz CHKXNRJAQYGPRU-SNVBAGLBSA-N 0 3 214.309 0.622 20 0 BCADHN CC(=O)N(C)c1ccccc1NC(=O)[C@@H]1C[C@@H]1N ZINC000334245642 352835145 /nfs/dbraw/zinc/83/51/45/352835145.db2.gz GAUNPJSCSGEKSB-ZJUUUORDSA-N 0 3 247.298 0.955 20 0 BCADHN CN(C)S(=O)(=O)CCN1CCCC12CCC2 ZINC000334269853 352906257 /nfs/dbraw/zinc/90/62/57/352906257.db2.gz DOGFZUFQIXBODS-UHFFFAOYSA-N 0 3 246.376 0.896 20 0 BCADHN C[C@]1(O)CCCN([C@@H]2CCCNC2=O)C1 ZINC000334272932 352910458 /nfs/dbraw/zinc/91/04/58/352910458.db2.gz YEFLWPSAURMFHC-KOLCDFICSA-N 0 3 212.293 0.112 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CC(CCO)C1 ZINC000343047212 352934885 /nfs/dbraw/zinc/93/48/85/352934885.db2.gz NGUILCHPZRREID-GFCCVEGCSA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@H](C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343053149 352936297 /nfs/dbraw/zinc/93/62/97/352936297.db2.gz KWCROVHMDLGEHI-WDEREUQCSA-N 0 3 225.336 0.291 20 0 BCADHN COC[C@]1(C)CN(C(=O)CNC(C)C)CCO1 ZINC000638797542 352915626 /nfs/dbraw/zinc/91/56/26/352915626.db2.gz SREPMPQWCZATPU-LBPRGKRZSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCCn1ccnc1 ZINC000342913637 352916717 /nfs/dbraw/zinc/91/67/17/352916717.db2.gz UVOQHWZQQULZFA-SNVBAGLBSA-N 0 3 239.323 0.132 20 0 BCADHN C[C@H]1CSCCN(CCn2cncn2)C1 ZINC000334280843 352921037 /nfs/dbraw/zinc/92/10/37/352921037.db2.gz GXCCRRDZUPSLCF-SNVBAGLBSA-N 0 3 226.349 0.963 20 0 BCADHN COC[C@@H](CCO)NCc1ccc(C)nc1 ZINC000231372383 538106008 /nfs/dbraw/zinc/10/60/08/538106008.db2.gz WTOXBYYDEPINIT-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN COCCCCN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366790305 352885328 /nfs/dbraw/zinc/88/53/28/352885328.db2.gz AJEHZSNNJNWLEM-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN CCOCCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000342875679 352885486 /nfs/dbraw/zinc/88/54/86/352885486.db2.gz XFUBLXMBTUYRPL-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CCCN(C(C)C)CC1 ZINC000334253772 352890870 /nfs/dbraw/zinc/89/08/70/352890870.db2.gz XJVPQQWTNADULH-GFCCVEGCSA-N 0 3 242.363 0.946 20 0 BCADHN COC[C@@]1(C)CN(C(=O)CNC2CC2)CCO1 ZINC000638796593 352898039 /nfs/dbraw/zinc/89/80/39/352898039.db2.gz LRHPWNWCUFDIIO-GFCCVEGCSA-N 0 3 242.319 0.002 20 0 BCADHN C[C@H](C1CCN(C)CC1)N(C)S(C)(=O)=O ZINC000334266002 352901623 /nfs/dbraw/zinc/90/16/23/352901623.db2.gz YRCXIZKWHLJNFR-SECBINFHSA-N 0 3 234.365 0.608 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)N1CCN2CCC1CC2 ZINC000334338760 352973438 /nfs/dbraw/zinc/97/34/38/352973438.db2.gz ZFZFZSFLBCWITN-MWLCHTKSSA-N 0 3 223.320 0.884 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2)C1 ZINC000638809763 352988224 /nfs/dbraw/zinc/98/82/24/352988224.db2.gz XOSYOULAHJSAHM-OUAUKWLOSA-N 0 3 226.320 0.670 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000638809762 352988628 /nfs/dbraw/zinc/98/86/28/352988628.db2.gz XOSYOULAHJSAHM-AXFHLTTASA-N 0 3 226.320 0.670 20 0 BCADHN CN1CCC[C@@H](CNC(=O)CCCCO)C1 ZINC000092174929 538106432 /nfs/dbraw/zinc/10/64/32/538106432.db2.gz NYTIXQVHYCONSM-NSHDSACASA-N 0 3 228.336 0.607 20 0 BCADHN C[C@@H]1[C@H](C)N(Cc2ccnn2C)CCN1C ZINC000334309566 352941672 /nfs/dbraw/zinc/94/16/72/352941672.db2.gz IQZLYXQFEWAZMO-MNOVXSKESA-N 0 3 222.336 0.945 20 0 BCADHN CN(C)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000334311693 352943583 /nfs/dbraw/zinc/94/35/83/352943583.db2.gz GVBXCBKYDWIYPA-VHSXEESVSA-N 0 3 211.309 0.694 20 0 BCADHN CC(C)[C@H]1CCN1C(=O)C(C)S(C)(=O)=O ZINC000334315169 352945827 /nfs/dbraw/zinc/94/58/27/352945827.db2.gz NFHGBEQDASKTLU-DTWKUNHWSA-N 0 3 233.333 0.676 20 0 BCADHN COCCN(C)C(C)(C)CN1CCOCC1 ZINC000412095950 191261155 /nfs/dbraw/zinc/26/11/55/191261155.db2.gz SPKYAYWYCYJYFM-UHFFFAOYSA-N 0 3 230.352 0.675 20 0 BCADHN CC(C)(F)CNC(=O)[C@@H]1CCCCN1 ZINC000638813528 352994220 /nfs/dbraw/zinc/99/42/20/352994220.db2.gz YPIGTXIFOJTJPP-QMMMGPOBSA-N 0 3 202.273 0.993 20 0 BCADHN Cc1c[nH]c(NC(=O)[C@H]2CCCCN2)n1 ZINC000638854056 353025222 /nfs/dbraw/zinc/02/52/22/353025222.db2.gz NARKXLIERLKHMR-MRVPVSSYSA-N 0 3 208.265 0.799 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H](C)Cc1cnccn1 ZINC000638847068 353027006 /nfs/dbraw/zinc/02/70/06/353027006.db2.gz JKPZMFZMBVUFPX-UWVGGRQHSA-N 0 3 236.319 0.522 20 0 BCADHN CCNC(=O)CN[C@H](C)Cc1cnccn1 ZINC000638846779 353027014 /nfs/dbraw/zinc/02/70/14/353027014.db2.gz COGVSZPPRIVMAR-SECBINFHSA-N 0 3 222.292 0.133 20 0 BCADHN CCNC(=O)[C@H](C)NC1CC(n2cccn2)C1 ZINC000638848414 353028457 /nfs/dbraw/zinc/02/84/57/353028457.db2.gz XRSDJACXMVCYCV-WHXUTIOJSA-N 0 3 236.319 0.701 20 0 BCADHN C[C@H](N)C(=O)Nc1cncc(N(C)C)c1 ZINC000638848501 353028625 /nfs/dbraw/zinc/02/86/25/353028625.db2.gz YUDNMRKYWGXLMA-ZETCQYMHSA-N 0 3 208.265 0.433 20 0 BCADHN Cc1nccn1CCN1CCO[C@@H](C)C1 ZINC000334375850 353032046 /nfs/dbraw/zinc/03/20/46/353032046.db2.gz VGSGXMATEMRSFR-JTQLQIEISA-N 0 3 209.293 0.912 20 0 BCADHN CO[C@@H]1CN[C@](C)(C(=O)Nc2nc(C)c[nH]2)C1 ZINC000638854930 353032216 /nfs/dbraw/zinc/03/22/16/353032216.db2.gz WVBNGTKPWDOWLY-KWQFWETISA-N 0 3 238.291 0.424 20 0 BCADHN CCc1nn(C)cc1CNC[C@]1(O)CCOC1 ZINC000092415184 538106951 /nfs/dbraw/zinc/10/69/51/538106951.db2.gz NUQPFTYLHMAVIU-GFCCVEGCSA-N 0 3 239.319 0.224 20 0 BCADHN C[C@H]1COCCN1CCNCc1ccns1 ZINC000638863990 353037662 /nfs/dbraw/zinc/03/76/62/353037662.db2.gz FRNXJUBEVUVGRZ-JTQLQIEISA-N 0 3 241.360 0.953 20 0 BCADHN CN(C)C(=O)CNC1CC(n2cccn2)C1 ZINC000638865614 353039974 /nfs/dbraw/zinc/03/99/74/353039974.db2.gz JANZLDJTFRMCAR-UHFFFAOYSA-N 0 3 222.292 0.264 20 0 BCADHN C[C@@H]1CCN(CCNCc2ncnn2C)C1 ZINC000638872002 353043370 /nfs/dbraw/zinc/04/33/70/353043370.db2.gz PJBLIPJOOCGUGN-SNVBAGLBSA-N 0 3 223.324 0.247 20 0 BCADHN COC[C@](C)(CO)NC[C@@H](OC)[C@H]1CCOC1 ZINC000638873932 353043940 /nfs/dbraw/zinc/04/39/40/353043940.db2.gz NQOFZWSYPSFCBD-TUAOUCFPSA-N 0 3 247.335 0.025 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N1CCC(CCF)CC1 ZINC000638874591 353044480 /nfs/dbraw/zinc/04/44/80/353044480.db2.gz HHARBYAVSQHZFS-MNOVXSKESA-N 0 3 244.310 0.701 20 0 BCADHN CO[C@@H](CN[C@H](C)C(=O)N(C)C)[C@@H]1CCOC1 ZINC000638874979 353045161 /nfs/dbraw/zinc/04/51/61/353045161.db2.gz ZXSGTFXDNQEUKG-MXWKQRLJSA-N 0 3 244.335 0.104 20 0 BCADHN Cn1nccc1CNCCc1cn[nH]c1 ZINC000289789778 180844460 /nfs/dbraw/zinc/84/44/60/180844460.db2.gz KBAVOPSOKNWIJI-UHFFFAOYSA-N 0 3 205.265 0.476 20 0 BCADHN C[C@H]1SCC[C@@H]1NC(=O)C(C)(C)N ZINC000307729570 353115337 /nfs/dbraw/zinc/11/53/37/353115337.db2.gz HHPGXXZOKPBTRG-RQJHMYQMSA-N 0 3 202.323 0.734 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)c1nccs1 ZINC000049103293 353159333 /nfs/dbraw/zinc/15/93/33/353159333.db2.gz DHLAQIGYSGWMSN-ZCFIWIBFSA-N 0 3 248.329 0.394 20 0 BCADHN CCC(=O)NC1(CCO)CCN(C)CC1 ZINC000354146277 188062109 /nfs/dbraw/zinc/06/21/09/188062109.db2.gz AFMOWKWIHSUURZ-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000354688685 188062759 /nfs/dbraw/zinc/06/27/59/188062759.db2.gz VRIOPPCMHMUOES-CMPLNLGQSA-N 0 3 240.347 0.770 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@@H]([C@@H](C)O)C1)N(C)C ZINC000357094343 188065792 /nfs/dbraw/zinc/06/57/92/188065792.db2.gz MDSIZSUZGZTQHA-IJLUTSLNSA-N 0 3 242.363 0.802 20 0 BCADHN Cc1cnc(C(=O)N(CCN(C)C)C2CC2)cn1 ZINC000356881369 188066316 /nfs/dbraw/zinc/06/63/16/188066316.db2.gz MFRUHWVTJWCKEX-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN CN(C)CC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000360410605 188069062 /nfs/dbraw/zinc/06/90/62/188069062.db2.gz IWQSWUARVLPOFT-NSHDSACASA-N 0 3 227.352 0.348 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N1C[C@H](CO)[C@H](C)C1 ZINC000362086442 188071799 /nfs/dbraw/zinc/07/17/99/188071799.db2.gz JMDKADDQVGAJFM-GRYCIOLGSA-N 0 3 242.363 0.707 20 0 BCADHN CC(C)[C@H](O)CN1CCO[C@]2(CCO[C@H]2C)C1 ZINC000367924586 188072985 /nfs/dbraw/zinc/07/29/85/188072985.db2.gz KCFUANSMXNKPOQ-YNEHKIRRSA-N 0 3 243.347 0.883 20 0 BCADHN CC(=O)NCCCN1CC[C@H](C)[C@@H](O)C1 ZINC000305770294 188077330 /nfs/dbraw/zinc/07/73/30/188077330.db2.gz XBLBUJFGBPORKR-ONGXEEELSA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H](C)CCCO)N(C)C ZINC000122530870 188077516 /nfs/dbraw/zinc/07/75/16/188077516.db2.gz MJCXSNOWARKDMW-WDEREUQCSA-N 0 3 230.352 0.850 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)CO ZINC000305149705 188077594 /nfs/dbraw/zinc/07/75/94/188077594.db2.gz OMIOLZOGHPROPY-UWVGGRQHSA-N 0 3 216.325 0.460 20 0 BCADHN CC(C)(O)CCN1CC[C@H](n2cncn2)C1 ZINC000375327115 188078166 /nfs/dbraw/zinc/07/81/66/188078166.db2.gz HHESBCIHQIHQOY-JTQLQIEISA-N 0 3 224.308 0.686 20 0 BCADHN C[C@@H](O)c1ccc(CNC(=O)CN)cc1 ZINC000178038242 188079782 /nfs/dbraw/zinc/07/97/82/188079782.db2.gz NSRQUXUUZZOMML-MRVPVSSYSA-N 0 3 208.261 0.315 20 0 BCADHN C=Cn1cc(CNC[C@]2(O)CCO[C@H]2C)cn1 ZINC000227973382 188081113 /nfs/dbraw/zinc/08/11/13/188081113.db2.gz LXMPHNVNSJXKLU-CMPLNLGQSA-N 0 3 237.303 0.613 20 0 BCADHN CC(C)(N)C(=O)NC[C@H](O)c1ccsc1 ZINC000225518206 188081350 /nfs/dbraw/zinc/08/13/50/188081350.db2.gz KCQOSPJBCKZBNS-QMMMGPOBSA-N 0 3 228.317 0.635 20 0 BCADHN C=Cn1cc(CNC[C@H](O)COC)cn1 ZINC000234681090 188081725 /nfs/dbraw/zinc/08/17/25/188081725.db2.gz XIYHUIHKMJUDQT-JTQLQIEISA-N 0 3 211.265 0.081 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC000047953800 353154364 /nfs/dbraw/zinc/15/43/64/353154364.db2.gz APAJMLWVTJDDIV-MNOVXSKESA-N 0 3 242.319 0.002 20 0 BCADHN CC(C)c1ccccc1NC(=O)C(=O)NCCN ZINC000037243622 188082829 /nfs/dbraw/zinc/08/28/29/188082829.db2.gz ZDCQHNZZCPRDBN-UHFFFAOYSA-N 0 3 249.314 0.823 20 0 BCADHN CC[C@@H]1CCCCN1CCNC(=O)CO ZINC000330467970 353172376 /nfs/dbraw/zinc/17/23/76/353172376.db2.gz YKINHAJIQSLCMT-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN CC(C)CNC(=O)CN1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000330549612 353173919 /nfs/dbraw/zinc/17/39/19/353173919.db2.gz DSXHRGMRJUFSPS-NXEZZACHSA-N 0 3 241.335 0.862 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1cccc(N)n1 ZINC000051069946 353174087 /nfs/dbraw/zinc/17/40/87/353174087.db2.gz JTHAUBZTEQERIQ-SNVBAGLBSA-N 0 3 248.330 0.878 20 0 BCADHN Cn1nncc1CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000370272168 180870577 /nfs/dbraw/zinc/87/05/77/180870577.db2.gz CESUJHVSSNZTTI-HBNTYKKESA-N 0 3 236.319 0.718 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)COC ZINC000188493924 353177095 /nfs/dbraw/zinc/17/70/95/353177095.db2.gz VTZGTVGJMBITFO-DTWKUNHWSA-N 0 3 202.298 0.478 20 0 BCADHN CC[C@@H](NCc1nnnn1C)C1CCOCC1 ZINC000330699509 353177678 /nfs/dbraw/zinc/17/76/78/353177678.db2.gz XTMWNNBOUNTKEW-SNVBAGLBSA-N 0 3 239.323 0.505 20 0 BCADHN CC(C)CN(C)[C@H](C)C(=O)NC(N)=O ZINC000049442568 353165200 /nfs/dbraw/zinc/16/52/00/353165200.db2.gz BTEAEAKLFSGVEJ-SSDOTTSWSA-N 0 3 201.270 0.158 20 0 BCADHN CC(C)CN(C)CC(=O)NC(=O)NC1CC1 ZINC000049442611 353165351 /nfs/dbraw/zinc/16/53/51/353165351.db2.gz SEEPTLYQZXAOJZ-UHFFFAOYSA-N 0 3 227.308 0.562 20 0 BCADHN CCNC(=O)N[C@H]1CCCN(CCOC)C1 ZINC000398838788 353166559 /nfs/dbraw/zinc/16/65/59/353166559.db2.gz LDBKBQIAWBLNNF-JTQLQIEISA-N 0 3 229.324 0.416 20 0 BCADHN CCNC(=O)N[C@@H]1CCCN(CCOC)C1 ZINC000398838790 353166876 /nfs/dbraw/zinc/16/68/76/353166876.db2.gz LDBKBQIAWBLNNF-SNVBAGLBSA-N 0 3 229.324 0.416 20 0 BCADHN Cc1ncc([C@@H](C)NC(=O)[C@H](C)N)s1 ZINC000638974284 353180038 /nfs/dbraw/zinc/18/00/38/353180038.db2.gz NONBRMFHGKCLRP-NTSWFWBYSA-N 0 3 213.306 0.976 20 0 BCADHN O=C(CCOC1CNC1)N[C@]12C[C@H]1CCCC2 ZINC000638974588 353180137 /nfs/dbraw/zinc/18/01/37/353180137.db2.gz SFHMHQYXDKZSTA-ZWNOBZJWSA-N 0 3 238.331 0.814 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H](C)c1ncon1 ZINC000261587607 535207214 /nfs/dbraw/zinc/20/72/14/535207214.db2.gz RUVMTEODPAXQQU-RNFRBKRXSA-N 0 3 212.253 0.230 20 0 BCADHN CC(C)(N)C(=O)N1CCN(C2CCCC2)CC1 ZINC000052062643 188126144 /nfs/dbraw/zinc/12/61/44/188126144.db2.gz NYZQXBIJQASBEP-UHFFFAOYSA-N 0 3 239.363 0.811 20 0 BCADHN COc1ccc(CCNC(=O)CN)c(OC)c1 ZINC000057529350 188127975 /nfs/dbraw/zinc/12/79/75/188127975.db2.gz FPMIXEGXBPBCAN-UHFFFAOYSA-N 0 3 238.287 0.321 20 0 BCADHN N[C@@H](C(=O)N1CCNCC1)c1ccccc1 ZINC000032021358 188129632 /nfs/dbraw/zinc/12/96/32/188129632.db2.gz OCDKKYVAVYYFFQ-LLVKDONJSA-N 0 3 219.288 0.118 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)CC(N)=O ZINC000330974939 353208420 /nfs/dbraw/zinc/20/84/20/353208420.db2.gz OYMPZUZMGNRNEO-MRVPVSSYSA-N 0 3 213.281 0.512 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@](C)(O)C(C)C ZINC000331009551 353211902 /nfs/dbraw/zinc/21/19/02/353211902.db2.gz INCKFULVZORMJT-WCQYABFASA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)(C)[C@H](NCCN1CCCC1=O)C(N)=O ZINC000109331179 188151913 /nfs/dbraw/zinc/15/19/13/188151913.db2.gz FMUJRRJOTQTHKY-SNVBAGLBSA-N 0 3 241.335 0.098 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@@H]([C@@H](C)O)C1 ZINC000134734267 188155996 /nfs/dbraw/zinc/15/59/96/188155996.db2.gz PMKPJYFXRMRCFD-GHMZBOCLSA-N 0 3 223.320 0.931 20 0 BCADHN CC(C)[C@H](O)CN1CCN(C)C[C@H]1C ZINC000300354774 188157378 /nfs/dbraw/zinc/15/73/78/188157378.db2.gz JHHRYYGFKOONNB-GHMZBOCLSA-N 0 3 200.326 0.639 20 0 BCADHN CN(C)c1ccc(NC(=O)C(C)(C)N)nc1 ZINC000166007665 188161621 /nfs/dbraw/zinc/16/16/21/188161621.db2.gz SHIOPNXCAZQBRS-UHFFFAOYSA-N 0 3 222.292 0.823 20 0 BCADHN CC(C)(C)[C@H](CO)NCC(=O)N1CCCC1 ZINC000330364656 188161746 /nfs/dbraw/zinc/16/17/46/188161746.db2.gz UDXXBVQUNNCWCM-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)[C@@H](N)CC(F)F ZINC000336643513 188162259 /nfs/dbraw/zinc/16/22/59/188162259.db2.gz AXSBBJTYYAYBFW-YUMQZZPRSA-N 0 3 238.278 0.492 20 0 BCADHN CC(C)N1CCC(N2C(=O)CNC2=O)CC1 ZINC000335898353 188162935 /nfs/dbraw/zinc/16/29/35/188162935.db2.gz VTKDVUNTWMNGOQ-UHFFFAOYSA-N 0 3 225.292 0.411 20 0 BCADHN c1ncc(CNCC2=CCCOC2)cn1 ZINC000308916128 188165446 /nfs/dbraw/zinc/16/54/46/188165446.db2.gz BGPKNTBLNJRQQK-UHFFFAOYSA-N 0 3 205.261 0.913 20 0 BCADHN CC(C)[C@H](CO)CNCc1cncn1C ZINC000309009996 188166595 /nfs/dbraw/zinc/16/65/95/188166595.db2.gz RLQSMWDNJIIEFG-JTQLQIEISA-N 0 3 211.309 0.774 20 0 BCADHN CC(C)(CC(N)=O)NCc1cccc(C(N)=O)c1 ZINC000186208691 188170623 /nfs/dbraw/zinc/17/06/23/188170623.db2.gz AZOWPMDGCVXZDH-UHFFFAOYSA-N 0 3 249.314 0.529 20 0 BCADHN CC(C)N1CCCN(C(=O)[C@@H](C)O)CC1 ZINC000335572545 188171209 /nfs/dbraw/zinc/17/12/09/188171209.db2.gz ZEJZOSIKKDYKJS-SNVBAGLBSA-N 0 3 214.309 0.310 20 0 BCADHN NCC(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000639000243 353248248 /nfs/dbraw/zinc/24/82/48/353248248.db2.gz PUPHRKWVRHVLIN-ONGXEEELSA-N 0 3 212.293 0.409 20 0 BCADHN CC(C)C[C@@H](CO)NC(=O)/C=C/CN(C)C ZINC000271100980 188199049 /nfs/dbraw/zinc/19/90/49/188199049.db2.gz YHHILRQZVGQGGG-QRGHLMKCSA-N 0 3 228.336 0.627 20 0 BCADHN CN(C)CCCNC(=O)C1CCC(=O)CC1 ZINC000084499741 353250164 /nfs/dbraw/zinc/25/01/64/353250164.db2.gz JUAHNFFZNJJWOD-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN CC(C)C[C@H](CO)NC(=O)/C=C/CN(C)C ZINC000271100979 188199361 /nfs/dbraw/zinc/19/93/61/188199361.db2.gz YHHILRQZVGQGGG-MVIFTORASA-N 0 3 228.336 0.627 20 0 BCADHN CNC(=O)CCN[C@@H](CCO)c1ccccc1 ZINC000271627695 188199392 /nfs/dbraw/zinc/19/93/92/188199392.db2.gz FEHNAJNWUOQUHP-LBPRGKRZSA-N 0 3 236.315 0.836 20 0 BCADHN C=Cn1cc(CNCC(C)(C)C(=O)NC)cn1 ZINC000194390612 188175208 /nfs/dbraw/zinc/17/52/08/188175208.db2.gz YQYSPGMNHDQADS-UHFFFAOYSA-N 0 3 236.319 0.845 20 0 BCADHN NC1(C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000638997791 353240291 /nfs/dbraw/zinc/24/02/91/353240291.db2.gz DUSGBAOPDRZLHI-QWRGUYRKSA-N 0 3 238.331 0.942 20 0 BCADHN CNCC(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000638998067 353240337 /nfs/dbraw/zinc/24/03/37/353240337.db2.gz DWLOQFSUINEXCJ-CMPLNLGQSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000638998199 353241174 /nfs/dbraw/zinc/24/11/74/353241174.db2.gz FUXBNQXHTDFDSI-FBIMIBRVSA-N 0 3 226.320 0.798 20 0 BCADHN C([C@@H]1CCSC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000338960535 188189620 /nfs/dbraw/zinc/18/96/20/188189620.db2.gz BVRDOBQJONCYHR-GARJFASQSA-N 0 3 229.345 0.839 20 0 BCADHN C[C@@H]1CN(C(=O)Cn2ccccc2=O)[C@@H](C)CN1 ZINC000237443240 188190201 /nfs/dbraw/zinc/19/02/01/188190201.db2.gz LLWBCDFKMBLVBE-MNOVXSKESA-N 0 3 249.314 0.057 20 0 BCADHN CCN[C@H](C)C(=O)N(C)Cc1ncc[nH]1 ZINC000639017412 353271496 /nfs/dbraw/zinc/27/14/96/353271496.db2.gz VEXQOFASTFDYTR-MRVPVSSYSA-N 0 3 210.281 0.366 20 0 BCADHN CC(C)(N)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000040923624 188216215 /nfs/dbraw/zinc/21/62/15/188216215.db2.gz YCMUNSWNVOABIU-JTQLQIEISA-N 0 3 225.336 0.420 20 0 BCADHN CC[NH+](CC)CC(=O)N(C)Cc1nnc[n-]1 ZINC000330379626 188219503 /nfs/dbraw/zinc/21/95/03/188219503.db2.gz LEUJWMUCAUMQHF-UHFFFAOYSA-N 0 3 225.296 0.105 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCCCC1 ZINC000126670935 188220256 /nfs/dbraw/zinc/22/02/56/188220256.db2.gz UEVKWMCMPQPGGG-NSHDSACASA-N 0 3 241.335 0.098 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NCCCOCCO ZINC000134728298 538113705 /nfs/dbraw/zinc/11/37/05/538113705.db2.gz PKRKCHQKOJXFAP-VIFPVBQESA-N 0 3 227.308 0.768 20 0 BCADHN COC(=O)C1(CNC(=O)/C=C/CN(C)C)CC1 ZINC000275249868 188202111 /nfs/dbraw/zinc/20/21/11/188202111.db2.gz IKGKFKFECHXBCI-SNAWJCMRSA-N 0 3 240.303 0.174 20 0 BCADHN CN(C(=O)Cc1cncnc1)[C@@H]1CCCN(C)C1 ZINC000279504334 188204617 /nfs/dbraw/zinc/20/46/17/188204617.db2.gz SXUPSZPOEQUNIA-GFCCVEGCSA-N 0 3 248.330 0.572 20 0 BCADHN COc1ccc(CN2CC[C@@](C)(C(N)=O)C2)cn1 ZINC000280332988 188204951 /nfs/dbraw/zinc/20/49/51/188204951.db2.gz RGWZRWWEZQCLRA-CYBMUJFWSA-N 0 3 249.314 0.788 20 0 BCADHN O=C1C[C@]2(CCN(Cc3cncs3)C2)CN1 ZINC000279384536 188205175 /nfs/dbraw/zinc/20/51/75/188205175.db2.gz JNSJDTNWGVYIRN-LLVKDONJSA-N 0 3 237.328 0.855 20 0 BCADHN CCCN(CCC)CC(=O)NC(=O)NC ZINC000070926462 353261693 /nfs/dbraw/zinc/26/16/93/353261693.db2.gz LJVDEWVBOROVSG-UHFFFAOYSA-N 0 3 215.297 0.564 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cnn(C)n2)CN1C1CC1 ZINC000284547508 188207611 /nfs/dbraw/zinc/20/76/11/188207611.db2.gz BFEPXPKYDJKSQY-RKDXNWHRSA-N 0 3 249.318 0.170 20 0 BCADHN Cc1nccn1CCCN(C)[C@@H]1COC[C@H]1O ZINC000285453272 188208588 /nfs/dbraw/zinc/20/85/88/188208588.db2.gz GMMASIHDBFFYNA-VXGBXAGGSA-N 0 3 239.319 0.273 20 0 BCADHN CC(C)[C@H](O)CN(CC(N)=O)C(C)C ZINC000340279052 188209422 /nfs/dbraw/zinc/20/94/22/188209422.db2.gz HDICTKIZAZBGLY-SECBINFHSA-N 0 3 202.298 0.199 20 0 BCADHN COC[C@@H](CCO)N[C@H](C)c1c[nH]nc1C ZINC000134569181 538113259 /nfs/dbraw/zinc/11/32/59/538113259.db2.gz HAMBWKILDUFFAK-PSASIEDQSA-N 0 3 227.308 0.766 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CCC[C@H]1CN(C)C ZINC000352644931 188230835 /nfs/dbraw/zinc/23/08/35/188230835.db2.gz QSWPIYDPCYVENL-QWRGUYRKSA-N 0 3 228.336 0.556 20 0 BCADHN CN(Cc1cnn(C)c1)CC1CC(O)C1 ZINC000084453865 538114019 /nfs/dbraw/zinc/11/40/19/538114019.db2.gz CABMGFGAZZODEH-UHFFFAOYSA-N 0 3 209.293 0.623 20 0 BCADHN CC(=O)N(C)c1cccc(NC(=O)[C@H]2CCN2)c1 ZINC000336597602 188231209 /nfs/dbraw/zinc/23/12/09/188231209.db2.gz WYSOXOUDKRYDDJ-GFCCVEGCSA-N 0 3 247.298 0.970 20 0 BCADHN OC[C@H]1CCN(C[C@H](O)CC(F)(F)F)C1 ZINC000189373923 353291070 /nfs/dbraw/zinc/29/10/70/353291070.db2.gz NKZZOFGOMAHOQL-JGVFFNPUSA-N 0 3 227.226 0.614 20 0 BCADHN CC(C)N(C)CC(=O)NCC1(CO)CCC1 ZINC000182274323 188223241 /nfs/dbraw/zinc/22/32/41/188223241.db2.gz RBHKMSPMXGRJIT-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H]1CN(C(=O)c2cccnc2)[C@@H](C)CN1 ZINC000062609448 188223830 /nfs/dbraw/zinc/22/38/30/188223830.db2.gz BWTHTCOUJVZHPD-ZJUUUORDSA-N 0 3 219.288 0.904 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H](O)C1CC1 ZINC000331824340 188227302 /nfs/dbraw/zinc/22/73/02/188227302.db2.gz YRGZTFFJGWRZPW-JTQLQIEISA-N 0 3 214.309 0.214 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCOC[C@H]1C1CC1 ZINC000336290315 188228400 /nfs/dbraw/zinc/22/84/00/188228400.db2.gz XXYWHHFCKHRCBG-QWRGUYRKSA-N 0 3 226.320 0.607 20 0 BCADHN Cn1nccc1C(=O)NCCN1CCCC1 ZINC000195231219 363213355 /nfs/dbraw/zinc/21/33/55/363213355.db2.gz QEJDOHOFIDGXFL-UHFFFAOYSA-N 0 3 222.292 0.246 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CSCN2)CCN1C ZINC000252214150 353299274 /nfs/dbraw/zinc/29/92/74/353299274.db2.gz YUYPTIUYMZBORP-KXUCPTDWSA-N 0 3 243.376 0.248 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@H]1C[C@H](C)O ZINC000252697924 353303438 /nfs/dbraw/zinc/30/34/38/353303438.db2.gz KFJFFKSQPLDNSW-QWRGUYRKSA-N 0 3 228.336 0.746 20 0 BCADHN CCCCNC(=O)[C@H](C)N1CC[C@@H]([C@H](C)O)C1 ZINC000252770314 353304177 /nfs/dbraw/zinc/30/41/77/353304177.db2.gz KXVDDNAMCINVNM-SDDRHHMPSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](N)C(=O)NCc1noc2c1CCCC2 ZINC000639033618 353304694 /nfs/dbraw/zinc/30/46/94/353304694.db2.gz NCQSDWSCVPJVQO-ZETCQYMHSA-N 0 3 223.276 0.517 20 0 BCADHN CC(C)(N)C(=O)NCc1noc2c1CCCC2 ZINC000639033276 353304867 /nfs/dbraw/zinc/30/48/67/353304867.db2.gz IEGWQLQWAOMOLH-UHFFFAOYSA-N 0 3 237.303 0.907 20 0 BCADHN O=C(CN1CCC[C@H]2COCC[C@@H]21)N1CCC1 ZINC000334501247 353334767 /nfs/dbraw/zinc/33/47/67/353334767.db2.gz YGGYIILPXKJYOB-RYUDHWBXSA-N 0 3 238.331 0.720 20 0 BCADHN CC[C@H](C)NC(=O)CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252874546 353313365 /nfs/dbraw/zinc/31/33/65/353313365.db2.gz PYTJCIVIDNYJPO-FIQHERPVSA-N 0 3 240.347 0.604 20 0 BCADHN C[C@@H](NC1(C(N)=O)CC1)[C@H]1CC1(F)F ZINC000639042718 353325986 /nfs/dbraw/zinc/32/59/86/353325986.db2.gz IYJYSGTXPLZPFK-PHDIDXHHSA-N 0 3 204.220 0.638 20 0 BCADHN NC(=O)CC1(NCc2ccc(=O)[nH]c2)CCC1 ZINC000639059181 353361531 /nfs/dbraw/zinc/36/15/31/353361531.db2.gz AUBKGAKBOKEMMM-UHFFFAOYSA-N 0 3 235.287 0.675 20 0 BCADHN C[C@@H](CNCc1cnnn1C)N(C)C1CC1 ZINC000165496980 353363535 /nfs/dbraw/zinc/36/35/35/353363535.db2.gz CEUJDRXGAVWKNS-VIFPVBQESA-N 0 3 223.324 0.387 20 0 BCADHN CCN(CCNCc1cnnn1C)C1CC1 ZINC000165495559 353363567 /nfs/dbraw/zinc/36/35/67/353363567.db2.gz OXFCPPDQQRNAHB-UHFFFAOYSA-N 0 3 223.324 0.389 20 0 BCADHN C[C@H](CNCc1cnnn1C)N(C)C1CC1 ZINC000165497116 353364092 /nfs/dbraw/zinc/36/40/92/353364092.db2.gz CEUJDRXGAVWKNS-SECBINFHSA-N 0 3 223.324 0.387 20 0 BCADHN CC[C@H](C)[C@](C)(O)CNCc1cnnn1C ZINC000165498952 353364473 /nfs/dbraw/zinc/36/44/73/353364473.db2.gz YXMAMALJETUWIZ-GXSJLCMTSA-N 0 3 226.324 0.702 20 0 BCADHN COC[C@@H](O)CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000537565016 324080802 /nfs/dbraw/zinc/08/08/02/324080802.db2.gz SACBOPQXJVMUDE-VWYCJHECSA-N 0 3 216.325 0.018 20 0 BCADHN CCN1CCN(c2cncc3nncn32)[C@H](C)C1 ZINC000343283453 353349165 /nfs/dbraw/zinc/34/91/65/353349165.db2.gz JTSFDNQFYCMEOI-SNVBAGLBSA-N 0 3 246.318 0.655 20 0 BCADHN CCC[C@H](N)C(=O)N1CCC(CC(N)=O)CC1 ZINC000037821194 358478273 /nfs/dbraw/zinc/47/82/73/358478273.db2.gz MTWZWDYZLDTTNB-JTQLQIEISA-N 0 3 241.335 0.228 20 0 BCADHN COCCO[C@@H]1COCC[C@H]1NC1CSC1 ZINC000381763494 538115693 /nfs/dbraw/zinc/11/56/93/538115693.db2.gz UPLZBZAUQNLNIM-GHMZBOCLSA-N 0 3 247.360 0.512 20 0 BCADHN CCN1CCCN([C@H]2CCCN(C)C2=O)CC1 ZINC000537609505 324087150 /nfs/dbraw/zinc/08/71/50/324087150.db2.gz JCWYOHAXVZNZMV-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN Cc1ncsc1CNC[C@@](C)(O)CO ZINC000085250563 538116167 /nfs/dbraw/zinc/11/61/67/538116167.db2.gz VUOFEZYEDHIWLH-SECBINFHSA-N 0 3 216.306 0.284 20 0 BCADHN COc1cccnc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405428023 353393627 /nfs/dbraw/zinc/39/36/27/353393627.db2.gz ZXCISKJUNUVMMJ-WDEREUQCSA-N 0 3 249.314 0.345 20 0 BCADHN COc1ccc(CNC[C@@](C)(O)CO)cc1 ZINC000085250593 538116340 /nfs/dbraw/zinc/11/63/40/538116340.db2.gz NHGLFXLGDMHLLU-GFCCVEGCSA-N 0 3 225.288 0.528 20 0 BCADHN Cc1cccc(CNC[C@@](C)(O)CO)c1 ZINC000085250910 538116372 /nfs/dbraw/zinc/11/63/72/538116372.db2.gz KQXDVACUHVOEFW-GFCCVEGCSA-N 0 3 209.289 0.828 20 0 BCADHN CC[C@@H]1[C@@H](C)CCN1Cc1cnc(N)nc1N ZINC000639064419 353375387 /nfs/dbraw/zinc/37/53/87/353375387.db2.gz ATYOPTBUQUKEDI-WCBMZHEXSA-N 0 3 235.335 0.922 20 0 BCADHN C[C@@H](N[C@H]1CS[C@H](C)C1)C(=O)N(C)C ZINC000252214564 363220055 /nfs/dbraw/zinc/22/00/55/363220055.db2.gz YXFHOMBMMSNLIJ-IWSPIJDZSA-N 0 3 216.350 0.947 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@H]1CC[C@H](C)O1 ZINC000190374040 353397262 /nfs/dbraw/zinc/39/72/62/353397262.db2.gz NCJZUACYNZBVKW-WDEREUQCSA-N 0 3 228.336 0.997 20 0 BCADHN CCN(C)C(=O)CN[C@@H](C)Cc1cnccn1 ZINC000639066714 353380566 /nfs/dbraw/zinc/38/05/66/353380566.db2.gz ROYNGTHURXLKQF-JTQLQIEISA-N 0 3 236.319 0.476 20 0 BCADHN CCN(C)C(=O)CNC[C@@H](OC)[C@@H]1CCOC1 ZINC000639067407 353381328 /nfs/dbraw/zinc/38/13/28/353381328.db2.gz XCHRWOABAZTSQG-GHMZBOCLSA-N 0 3 244.335 0.106 20 0 BCADHN CCN(C)C(=O)CNC[C@H](OC)[C@H]1CCOC1 ZINC000639067409 353381410 /nfs/dbraw/zinc/38/14/10/353381410.db2.gz XCHRWOABAZTSQG-QWRGUYRKSA-N 0 3 244.335 0.106 20 0 BCADHN [NH3+]C[C@@H]1CN(Cc2cc([O-])cc(F)c2)CCO1 ZINC000165540071 353388452 /nfs/dbraw/zinc/38/84/52/353388452.db2.gz WKPDRPHJQHVNND-GFCCVEGCSA-N 0 3 240.278 0.691 20 0 BCADHN CC1(C)CC(CNCc2cnc(N)nc2N)C1 ZINC000639086287 353426354 /nfs/dbraw/zinc/42/63/54/353426354.db2.gz OVGOWJDGZFMTCG-UHFFFAOYSA-N 0 3 235.335 0.828 20 0 BCADHN COC[C@@]1(C(=O)NC[C@H](C)N(C)C)CCOC1 ZINC000412392049 191278368 /nfs/dbraw/zinc/27/83/68/191278368.db2.gz ASSJXTMWRKZNJI-JQWIXIFHSA-N 0 3 244.335 0.106 20 0 BCADHN CO[C@H](C(=O)NC[C@H](C)N(C)C)C1CC1 ZINC000412392513 191278815 /nfs/dbraw/zinc/27/88/15/191278815.db2.gz DVDAPOUIFOYNOP-WPRPVWTQSA-N 0 3 214.309 0.478 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000190698293 353408924 /nfs/dbraw/zinc/40/89/24/353408924.db2.gz GVDXFRSEUUIRTE-UWVGGRQHSA-N 0 3 228.336 0.604 20 0 BCADHN COC[C@H](C)NCc1ccc(C(N)=O)nc1 ZINC000165611130 353409533 /nfs/dbraw/zinc/40/95/33/353409533.db2.gz ANEBHDIXYHMSJX-QMMMGPOBSA-N 0 3 223.276 0.305 20 0 BCADHN CC(C)CNC(=O)[C@@H](C)N(C)CC(C)(C)O ZINC000081747568 353413737 /nfs/dbraw/zinc/41/37/37/353413737.db2.gz LXFVPXGAFMVCCH-SNVBAGLBSA-N 0 3 230.352 0.850 20 0 BCADHN CNS(=O)(=O)CCN[C@H](C)[C@H]1CC1(F)F ZINC000639088634 353442001 /nfs/dbraw/zinc/44/20/01/353442001.db2.gz YTYXIYBUICOADQ-RNFRBKRXSA-N 0 3 242.291 0.169 20 0 BCADHN CNS(=O)(=O)CCN[C@H](C)[C@@H]1CC1(F)F ZINC000639088635 353442070 /nfs/dbraw/zinc/44/20/70/353442070.db2.gz YTYXIYBUICOADQ-RQJHMYQMSA-N 0 3 242.291 0.169 20 0 BCADHN Cn1c(CNC[C@H](O)CO)cc2ccccc21 ZINC000639089103 353446100 /nfs/dbraw/zinc/44/61/00/353446100.db2.gz NFCIHAJEOLUDLU-LBPRGKRZSA-N 0 3 234.299 0.621 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000191193507 353446891 /nfs/dbraw/zinc/44/68/91/353446891.db2.gz ZNDIAPHYROYFEF-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN CCc1nnc(CN[C@@H]2CCOC[C@@H]2C)[nH]1 ZINC000336776945 353482741 /nfs/dbraw/zinc/48/27/41/353482741.db2.gz GYTPPTWSONXZJN-DTWKUNHWSA-N 0 3 224.308 0.882 20 0 BCADHN CCc1nnc(C[NH2+][C@@H]2CCOC[C@@H]2C)[n-]1 ZINC000336776945 353482742 /nfs/dbraw/zinc/48/27/42/353482742.db2.gz GYTPPTWSONXZJN-DTWKUNHWSA-N 0 3 224.308 0.882 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N[C@H]1CCCOC1 ZINC000252352877 363230662 /nfs/dbraw/zinc/23/06/62/363230662.db2.gz OFQSJBQPMUJQCE-QWRGUYRKSA-N 0 3 241.335 0.559 20 0 BCADHN CNC(=O)C1CN(C[C@@H](O)C2CCCCC2)C1 ZINC000191380094 353472877 /nfs/dbraw/zinc/47/28/77/353472877.db2.gz TXQFVKHBGIHTMI-GFCCVEGCSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H]1C[C@@H](O)CN1Cc1ccc(=O)[nH]c1 ZINC000639094860 353479227 /nfs/dbraw/zinc/47/92/27/353479227.db2.gz JFGGIKUQGATSPC-WCBMZHEXSA-N 0 3 208.261 0.742 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1Cc1ccc(=O)[nH]c1 ZINC000639094858 353479248 /nfs/dbraw/zinc/47/92/48/353479248.db2.gz JFGGIKUQGATSPC-PSASIEDQSA-N 0 3 208.261 0.742 20 0 BCADHN CC[C@@H]1CCCN1C(=O)[C@H](CN)OC ZINC000227369571 363233881 /nfs/dbraw/zinc/23/38/81/363233881.db2.gz LSGHLJMEZKIWJU-BDAKNGLRSA-N 0 3 200.282 0.361 20 0 BCADHN CC(C)C[C@H](CO)NC(=O)N[C@@H](C)CN(C)C ZINC000358521898 188422721 /nfs/dbraw/zinc/42/27/21/188422721.db2.gz JTPUVOMUXVTIBF-WDEREUQCSA-N 0 3 245.367 0.643 20 0 BCADHN CC[C@@H]1CCCCN1C(=O)[C@@H](CN)OC ZINC000227347924 363233781 /nfs/dbraw/zinc/23/37/81/363233781.db2.gz CAPWYQCXNBEXGQ-NXEZZACHSA-N 0 3 214.309 0.751 20 0 BCADHN CO[C@H](CNC(=O)/C=C/CN(C)C)C(C)C ZINC000074028721 353582931 /nfs/dbraw/zinc/58/29/31/353582931.db2.gz BEGVNHFMTPCXRX-XUIVZRPNSA-N 0 3 228.336 0.891 20 0 BCADHN O=C1CCN(C[C@@H](O)Cc2ccccc2)CCN1 ZINC000193355638 353584581 /nfs/dbraw/zinc/58/45/81/353584581.db2.gz MLRYPNHGZCTUSU-ZDUSSCGKSA-N 0 3 248.326 0.412 20 0 BCADHN CC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000192836747 353569949 /nfs/dbraw/zinc/56/99/49/353569949.db2.gz OQYLYHKGJZMYSM-UHFFFAOYSA-N 0 3 241.335 0.115 20 0 BCADHN CNCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000193137977 353572124 /nfs/dbraw/zinc/57/21/24/353572124.db2.gz JPQMJCIQSOUKJY-WCQGTBRESA-N 0 3 238.331 0.670 20 0 BCADHN C[C@H]1CN(C)CCN1C(=O)c1ccnc(CN)c1 ZINC000231720262 353648065 /nfs/dbraw/zinc/64/80/65/353648065.db2.gz PFCOADCVQYWIGC-JTQLQIEISA-N 0 3 248.330 0.316 20 0 BCADHN C[C@@H](NC[C@@H]1CCN(c2ccccc2)C1)C(N)=O ZINC000639108431 353649801 /nfs/dbraw/zinc/64/98/01/353649801.db2.gz IMWWAPINUCRWLZ-NEPJUHHUSA-N 0 3 247.342 0.976 20 0 BCADHN CCN1CCC[C@H](NC(=O)NCCCOC)C1 ZINC000194127357 353620738 /nfs/dbraw/zinc/62/07/38/353620738.db2.gz RAFGAXHZCKBGGN-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN CC(C)[C@H](C(=O)N1CCO[C@@H](CF)C1)N(C)C ZINC000412432577 191284809 /nfs/dbraw/zinc/28/48/09/191284809.db2.gz DOYFPRGIOFRVRR-WDEREUQCSA-N 0 3 246.326 0.770 20 0 BCADHN C[C@@H](O)CCNC(=O)C12CCCN1CCC2 ZINC000366820215 353670240 /nfs/dbraw/zinc/67/02/40/353670240.db2.gz GRBMWGHPLCOCGR-SNVBAGLBSA-N 0 3 226.320 0.502 20 0 BCADHN CNC(=O)C[C@H](C)N[C@@H](C)c1cncnc1C ZINC000577886218 366096307 /nfs/dbraw/zinc/09/63/07/366096307.db2.gz DLKNABVNUXZUHN-WPRPVWTQSA-N 0 3 236.319 0.960 20 0 BCADHN C[C@@H](O)CCNC(=O)C1CCN(C2CC2)CC1 ZINC000194670729 353682630 /nfs/dbraw/zinc/68/26/30/353682630.db2.gz IOHLQNJLTJEVCJ-SNVBAGLBSA-N 0 3 240.347 0.748 20 0 BCADHN OCCCCNCc1cc2c(cn1)OCCO2 ZINC000639111722 353699121 /nfs/dbraw/zinc/69/91/21/353699121.db2.gz XUGWXDBTJTVENW-UHFFFAOYSA-N 0 3 238.287 0.715 20 0 BCADHN COCCN1CCC(NC(=O)NC2CC2)CC1 ZINC000194975790 353708859 /nfs/dbraw/zinc/70/88/59/353708859.db2.gz PDXCHHPOUGFBQA-UHFFFAOYSA-N 0 3 241.335 0.559 20 0 BCADHN C[C@@H]1CSCCN1C(=O)C1(N)CC1 ZINC000083836285 353711524 /nfs/dbraw/zinc/71/15/24/353711524.db2.gz KGNYITUXXPVARI-SSDOTTSWSA-N 0 3 200.307 0.442 20 0 BCADHN COC[C@H]1CCCN([C@@H]2CCNC2=O)C1 ZINC000178202517 366105287 /nfs/dbraw/zinc/10/52/87/366105287.db2.gz GPVHYWVEYXDXAK-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN COC[C@H](O)CN1CC[C@H](c2nccn2C)C1 ZINC000577931494 366108219 /nfs/dbraw/zinc/10/82/19/366108219.db2.gz XARZVQYGOYIQCZ-WDEREUQCSA-N 0 3 239.319 0.217 20 0 BCADHN CC1(CCNCc2cnc(N)nc2N)CC1 ZINC000639119251 353754810 /nfs/dbraw/zinc/75/48/10/353754810.db2.gz WNKCQCVQCLMPTQ-UHFFFAOYSA-N 0 3 221.308 0.582 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@@H]1CC[C@@H](C)O1 ZINC000398089339 324216876 /nfs/dbraw/zinc/21/68/76/324216876.db2.gz NLDAIQZXOVSQPM-AXFHLTTASA-N 0 3 249.376 0.967 20 0 BCADHN COC[C@H](CO)N[C@H](C)Cc1cnccn1 ZINC000639125445 353817721 /nfs/dbraw/zinc/81/77/21/353817721.db2.gz VNDVPBCVVVTPOL-KOLCDFICSA-N 0 3 225.292 0.005 20 0 BCADHN COC[C@@H](CO)NC[C@@H](OC)C1CCCC1 ZINC000639125458 353817921 /nfs/dbraw/zinc/81/79/21/353817921.db2.gz VSMSNGDMPSUDAY-VXGBXAGGSA-N 0 3 231.336 0.789 20 0 BCADHN CC[C@H](C)[C@H](CN[C@@H](CO)COC)OC ZINC000639125625 353821870 /nfs/dbraw/zinc/82/18/70/353821870.db2.gz YDTSQMIIMMZOBF-DCAQKATOSA-N 0 3 219.325 0.644 20 0 BCADHN CCN(Cc1cnc(N)nc1N)CC1CCC1 ZINC000639128765 353834116 /nfs/dbraw/zinc/83/41/16/353834116.db2.gz ZNYYVLBBWIWUNY-UHFFFAOYSA-N 0 3 235.335 0.924 20 0 BCADHN C[C@H](C[C@H]1CCCC(=O)N1)NCCF ZINC000639132408 353842047 /nfs/dbraw/zinc/84/20/47/353842047.db2.gz AWYPGWQNPFNDPH-RKDXNWHRSA-N 0 3 202.273 0.993 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)CC(=O)NC ZINC000185872766 353859019 /nfs/dbraw/zinc/85/90/19/353859019.db2.gz JOIHOZFVAIETIX-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CCC[C@@H](CN[C@@H](C)C(=O)NCCF)OC ZINC000639155381 353864812 /nfs/dbraw/zinc/86/48/12/353864812.db2.gz PACMZNGJCJIEOQ-UWVGGRQHSA-N 0 3 234.315 0.865 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N(C)CC1CCC1 ZINC000343410858 353879088 /nfs/dbraw/zinc/87/90/88/353879088.db2.gz BDYPBGNAKFUYRZ-SNVBAGLBSA-N 0 3 242.319 0.525 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](N)CCC(=O)OC)C(C)C ZINC000343412595 353879587 /nfs/dbraw/zinc/87/95/87/353879587.db2.gz GRPBEKZKOZZIOY-VHSXEESVSA-N 0 3 244.335 0.818 20 0 BCADHN CCN(CC(C)C)C(=O)[C@H](N)CCC(=O)OC ZINC000343421862 353881645 /nfs/dbraw/zinc/88/16/45/353881645.db2.gz UVLWLBOECCNABA-SNVBAGLBSA-N 0 3 244.335 0.771 20 0 BCADHN COCCC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343462432 353896402 /nfs/dbraw/zinc/89/64/02/353896402.db2.gz UFSCNOHAGNMTRO-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCO2)CCCN1C ZINC000343429181 353883235 /nfs/dbraw/zinc/88/32/35/353883235.db2.gz HTOFORYLIQCLMB-VWYCJHECSA-N 0 3 226.320 0.764 20 0 BCADHN CCN(C(=O)[C@H](N)CCC(=O)OC)C(C)C ZINC000343438260 353886737 /nfs/dbraw/zinc/88/67/37/353886737.db2.gz YMKLNPYZJOHYSG-SECBINFHSA-N 0 3 230.308 0.524 20 0 BCADHN CN1CC[C@@H](C(=O)N(C2CC2)C2COC2)C1 ZINC000334525003 353896774 /nfs/dbraw/zinc/89/67/74/353896774.db2.gz NCUVTEJLGMXWFD-SECBINFHSA-N 0 3 224.304 0.328 20 0 BCADHN Cn1ccnc1[C@@H]1OCC[C@@H]1N[C@H]1CCOC1 ZINC000343402402 353894375 /nfs/dbraw/zinc/89/43/75/353894375.db2.gz NZDKWTOULTUQNO-GARJFASQSA-N 0 3 237.303 0.629 20 0 BCADHN C[C@H]1CCC[C@@H]1CNCc1cnc(N)nc1N ZINC000639135197 353844820 /nfs/dbraw/zinc/84/48/20/353844820.db2.gz RWDAGEOQMPHPLW-DTWKUNHWSA-N 0 3 235.335 0.828 20 0 BCADHN CCN(CCC[C@H]1CCO1)[C@@H]1CCNC1=O ZINC000639135682 353845741 /nfs/dbraw/zinc/84/57/41/353845741.db2.gz HGEXPOMMMMZTOJ-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN CO[C@H](CN[C@H](C)C(=O)NCCF)C1CC1 ZINC000639137601 353854713 /nfs/dbraw/zinc/85/47/13/353854713.db2.gz DSHSBTDQPSCTGZ-PSASIEDQSA-N 0 3 232.299 0.475 20 0 BCADHN C[C@H](N[C@H]1CN(C)C[C@@H]1C)C(=O)N1CCCC1 ZINC000343491769 353909391 /nfs/dbraw/zinc/90/93/91/353909391.db2.gz BYYOXJPZRZEBFC-SRVKXCTJSA-N 0 3 239.363 0.537 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N(C)CCC(N)=O ZINC000343535338 353915767 /nfs/dbraw/zinc/91/57/67/353915767.db2.gz RPSCUNLQURYOBU-UWVGGRQHSA-N 0 3 241.335 0.193 20 0 BCADHN CCCN1CCC[C@H]1CNC(=O)[C@H](C)O ZINC000343555224 353920329 /nfs/dbraw/zinc/92/03/29/353920329.db2.gz ALEYQVXOHZROAI-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN CO[C@@H]1CCN([C@@H]2CCN(C)C2=O)CC1(C)C ZINC000334536351 353922470 /nfs/dbraw/zinc/92/24/70/353922470.db2.gz SATJWZOFHZUIIJ-GHMZBOCLSA-N 0 3 240.347 0.964 20 0 BCADHN CN1CCC(C(=O)N2C[C@H](O)C(C)(C)C2)CC1 ZINC000334537505 353924498 /nfs/dbraw/zinc/92/44/98/353924498.db2.gz WHZHXAHKFTWQPW-NSHDSACASA-N 0 3 240.347 0.558 20 0 BCADHN CCCN1CCC[C@@H]1CNC(=O)COC ZINC000343567414 353936831 /nfs/dbraw/zinc/93/68/31/353936831.db2.gz LMUYSGQHIGOSSB-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1C[C@@H]1N)CO2 ZINC000577947059 366125914 /nfs/dbraw/zinc/12/59/14/366125914.db2.gz CQIVGWVVQCKBIN-MIMYLULJSA-N 0 3 232.283 0.892 20 0 BCADHN C[C@@H](NC[C@@H]1CNCCN1C)c1ccoc1 ZINC000577946924 366126223 /nfs/dbraw/zinc/12/62/23/366126223.db2.gz IPVXNSHMXCVSEM-PWSUYJOCSA-N 0 3 223.320 0.834 20 0 BCADHN C[C@@H]1COCC[C@@H]1CNCc1ncnn1C ZINC000639162656 353945398 /nfs/dbraw/zinc/94/53/98/353945398.db2.gz AMRATMPBUSRABQ-NXEZZACHSA-N 0 3 224.308 0.577 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](CO)CC1CC1)N(C)C ZINC000619042416 363271075 /nfs/dbraw/zinc/27/10/75/363271075.db2.gz SIXVHRPSNFDFHU-RYUDHWBXSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H]1CSC[C@H]1NCc1cnc(N)nc1N ZINC000639162037 353948214 /nfs/dbraw/zinc/94/82/14/353948214.db2.gz OUQIZZSRBYHRLS-HTRCEHHLSA-N 0 3 239.348 0.143 20 0 BCADHN CCN(C)CCNC(=O)C[C@H](O)C(C)C ZINC000343472896 353900220 /nfs/dbraw/zinc/90/02/20/353900220.db2.gz CLTJIYQZWPCXJY-JTQLQIEISA-N 0 3 216.325 0.461 20 0 BCADHN CN(CCN1CCCC1)C(=O)COCC1CC1 ZINC000343474742 353901775 /nfs/dbraw/zinc/90/17/75/353901775.db2.gz DRRDMASZAQHSDE-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN O=C(CN1CC[C@@H]2CCC[C@@H]21)N1CCOCC1 ZINC000334527384 353901966 /nfs/dbraw/zinc/90/19/66/353901966.db2.gz SJBVBXPMCKLFQU-RYUDHWBXSA-N 0 3 238.331 0.720 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N(C)CCN1CCCC1 ZINC000343478548 353903303 /nfs/dbraw/zinc/90/33/03/353903303.db2.gz RJNZFFXGZUQFSC-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CCC(CC)CNC(=O)[C@@H](N)CCC(=O)OC ZINC000343479775 353903899 /nfs/dbraw/zinc/90/38/99/353903899.db2.gz GMZSFDMBDOBGPE-JTQLQIEISA-N 0 3 244.335 0.819 20 0 BCADHN C[C@@H](CNC(=O)CC1CCOCC1)N(C)C ZINC000343696996 353966299 /nfs/dbraw/zinc/96/62/99/353966299.db2.gz SYKBICMWQKYOJS-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CC1(CN2CCSC[C@@H]2CO)COC1 ZINC000343746142 353971040 /nfs/dbraw/zinc/97/10/40/353971040.db2.gz WWJAQKSEHNNVLW-VIFPVBQESA-N 0 3 217.334 0.433 20 0 BCADHN CCCCCN(CCO)CCN1CCNC1=O ZINC000343763090 353977512 /nfs/dbraw/zinc/97/75/12/353977512.db2.gz STWUJDBVUAEZRF-UHFFFAOYSA-N 0 3 243.351 0.496 20 0 BCADHN CCOC(=O)CCCN1CCN(C)C[C@@H]1C ZINC000343774811 353985787 /nfs/dbraw/zinc/98/57/87/353985787.db2.gz CJRSKLBYIUDUDZ-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN C[C@H](CN(C)C)Nc1ncnc2c1CN(C)CC2 ZINC000343785493 353991554 /nfs/dbraw/zinc/99/15/54/353991554.db2.gz BCHCXVWNRAQRRA-SNVBAGLBSA-N 0 3 249.362 0.827 20 0 BCADHN CN(C)CCNC(=O)c1cnc(C2CC2)[nH]1 ZINC000343652977 353954359 /nfs/dbraw/zinc/95/43/59/353954359.db2.gz MEUAACRSRMKEFK-UHFFFAOYSA-N 0 3 222.292 0.579 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CCCN1C ZINC000343795089 353999704 /nfs/dbraw/zinc/99/97/04/353999704.db2.gz INRGZKQHTLHXJH-PWSUYJOCSA-N 0 3 238.331 0.932 20 0 BCADHN C[C@@H]1NC(=O)N(CCN2CCC23CCC3)C1=O ZINC000334559030 354008074 /nfs/dbraw/zinc/00/80/74/354008074.db2.gz IRJMISMEVXABKY-VIFPVBQESA-N 0 3 237.303 0.555 20 0 BCADHN C[C@H]1CC[C@@H]1NCc1cnc(N)nc1N ZINC000639166317 354009162 /nfs/dbraw/zinc/00/91/62/354009162.db2.gz HMMPPONDZILBGZ-XPUUQOCRSA-N 0 3 207.281 0.190 20 0 BCADHN CC[C@@H](C(=O)NCc1ccn(CC)n1)N(C)C ZINC000412472461 191291664 /nfs/dbraw/zinc/29/16/64/191291664.db2.gz FNDGWPNOLZOLMJ-NSHDSACASA-N 0 3 238.335 0.859 20 0 BCADHN C[C@H](CN(C)C)Nc1cncc(OCCO)n1 ZINC000343807935 354010182 /nfs/dbraw/zinc/01/01/82/354010182.db2.gz PIXLWLAYRGJRJW-SECBINFHSA-N 0 3 240.307 0.210 20 0 BCADHN C[C@@H]1CN(C)CCN1CCC(=O)N(C)C ZINC000343781691 354017396 /nfs/dbraw/zinc/01/73/96/354017396.db2.gz CKSSFUQTUQMKAF-SNVBAGLBSA-N 0 3 213.325 0.101 20 0 BCADHN CN(CCN1CCCC1)C(=O)[C@@H]1CCCN1C ZINC000343844064 354020248 /nfs/dbraw/zinc/02/02/48/354020248.db2.gz DHPSJLFNNWMIQB-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CCCCN(CCOC)CCN1CCNC1=O ZINC000343847359 354020768 /nfs/dbraw/zinc/02/07/68/354020768.db2.gz GWOZPDOZEHDYHV-UHFFFAOYSA-N 0 3 243.351 0.760 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CN(C)C ZINC000343835183 354034668 /nfs/dbraw/zinc/03/46/68/354034668.db2.gz TYXBIPSNKYVBEH-GXSJLCMTSA-N 0 3 225.336 0.147 20 0 BCADHN CC(C)(C)[C@H](O)CN1C[C@@H]2COC[C@H](C1)O2 ZINC000343988627 354062536 /nfs/dbraw/zinc/06/25/36/354062536.db2.gz YOIBZYNWFLDOCS-OUAUKWLOSA-N 0 3 229.320 0.493 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCCC[C@@H]1C(N)=O ZINC000344002025 354066829 /nfs/dbraw/zinc/06/68/29/354066829.db2.gz CEEVZKJIAXRGSU-ZJUUUORDSA-N 0 3 228.336 0.733 20 0 BCADHN CCOC1CC(N(C)C[C@@](C)(O)C(=O)OC)C1 ZINC000343959636 354073529 /nfs/dbraw/zinc/07/35/29/354073529.db2.gz KFECUVNUWYDIMF-RTYFJBAXSA-N 0 3 245.319 0.410 20 0 BCADHN CCNC(=O)CN1CCSC[C@@H](C)C1 ZINC000334563229 354078749 /nfs/dbraw/zinc/07/87/49/354078749.db2.gz SOGWGZWIOSNRNA-VIFPVBQESA-N 0 3 216.350 0.807 20 0 BCADHN C[C@H]1NC(=O)N(CCN2CCC[C@@H]2C)C1=O ZINC000334565859 354086084 /nfs/dbraw/zinc/08/60/84/354086084.db2.gz YVGMBMGFANSRAQ-DTWKUNHWSA-N 0 3 225.292 0.411 20 0 BCADHN C[C@@H]1CCCN1CCN1C(=O)N[C@H](C)C1=O ZINC000334565861 354086576 /nfs/dbraw/zinc/08/65/76/354086576.db2.gz YVGMBMGFANSRAQ-RKDXNWHRSA-N 0 3 225.292 0.411 20 0 BCADHN COC(=O)[C@](C)(O)CN1CC(C)=C[C@@H](C)C1 ZINC000343937186 354047759 /nfs/dbraw/zinc/04/77/59/354047759.db2.gz JRDSTONTLRPMHH-BXKDBHETSA-N 0 3 227.304 0.808 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N[C@@H](C)CC(C)C ZINC000343898214 354052957 /nfs/dbraw/zinc/05/29/57/354052957.db2.gz XWGBBMMOMUPCMP-UWVGGRQHSA-N 0 3 244.335 0.818 20 0 BCADHN COCCOCCN(C)C[C@@H](O)CSC ZINC000344064340 354130817 /nfs/dbraw/zinc/13/08/17/354130817.db2.gz FGFPWFLMBALHSU-SNVBAGLBSA-N 0 3 237.365 0.305 20 0 BCADHN CCC[C@@](C)(O)CNC(=O)[C@@H](N)C(C)C ZINC000230699324 363321710 /nfs/dbraw/zinc/32/17/10/363321710.db2.gz XDDCXCOBVCPDLJ-GXSJLCMTSA-N 0 3 216.325 0.637 20 0 BCADHN Cn1nccc1CCN1CCC(O)CC1 ZINC000230886419 363326291 /nfs/dbraw/zinc/32/62/91/363326291.db2.gz FOJJJNIIDWFMSW-UHFFFAOYSA-N 0 3 209.293 0.419 20 0 BCADHN COCCN(CCN(C)C)Cc1cc(C)no1 ZINC000639172685 354165812 /nfs/dbraw/zinc/16/58/12/354165812.db2.gz NMYWFMRBWIOJRR-UHFFFAOYSA-N 0 3 241.335 0.993 20 0 BCADHN CN1CCC(C(=O)NC[C@H]2CCCOC2)CC1 ZINC000344173362 354172334 /nfs/dbraw/zinc/17/23/34/354172334.db2.gz MZTRHSSNXRKUER-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN COCCN(CCN(C)C)C[C@H](OC)C1CC1 ZINC000639171995 354143999 /nfs/dbraw/zinc/14/39/99/354143999.db2.gz FSBRYSTXLPBIHI-ZDUSSCGKSA-N 0 3 244.379 0.921 20 0 BCADHN O=C(NCCN1CCCCC1)[C@H]1CC[C@@H](O)C1 ZINC000344182907 354177039 /nfs/dbraw/zinc/17/70/39/354177039.db2.gz RNSSBQWWUKDKSC-NWDGAFQWSA-N 0 3 240.347 0.750 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H](CO)C[C@H]1C ZINC000344126594 354146143 /nfs/dbraw/zinc/14/61/43/354146143.db2.gz IZDWDZNGPANQNG-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@H]1C[C@@H](CO)CCN1CCn1cccn1 ZINC000344139336 354151133 /nfs/dbraw/zinc/15/11/33/354151133.db2.gz LJMGSGYMMSMFTC-RYUDHWBXSA-N 0 3 223.320 0.976 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1CC1(C)COC1 ZINC000344154167 354156630 /nfs/dbraw/zinc/15/66/30/354156630.db2.gz GNNBTICUDKRFAJ-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN CC1CC(NCCS(=O)(=O)N(C)C)C1 ZINC000230991221 363333108 /nfs/dbraw/zinc/33/31/08/363333108.db2.gz FRGQPCUICRJBOV-UHFFFAOYSA-N 0 3 220.338 0.266 20 0 BCADHN CC[C@H](C(=O)N(C)C[C@H](C)OC)N(C)C ZINC000344184724 354177718 /nfs/dbraw/zinc/17/77/18/354177718.db2.gz RWNSPTHLTDRDHV-VHSXEESVSA-N 0 3 216.325 0.820 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H]1CCCOC1 ZINC000449718057 202009477 /nfs/dbraw/zinc/00/94/77/202009477.db2.gz OLSBGYZIYFTYRA-GMTAPVOTSA-N 0 3 215.293 0.559 20 0 BCADHN CC[C@H](C(=O)N(C)CC(=O)NC)N(CC)CC ZINC000344226937 354183935 /nfs/dbraw/zinc/18/39/35/354183935.db2.gz ZPBUAXADSWWWOJ-SNVBAGLBSA-N 0 3 243.351 0.311 20 0 BCADHN COCCN(C)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000344228708 354184927 /nfs/dbraw/zinc/18/49/27/354184927.db2.gz BSCMTEZKWBUSJX-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN Cc1c[nH]nc1CNC[C@@H](O)C1CCC1 ZINC000449738283 202014424 /nfs/dbraw/zinc/01/44/24/202014424.db2.gz ARUVIYIOZZCTKQ-LLVKDONJSA-N 0 3 209.293 0.969 20 0 BCADHN O=C(CC1CC1)N[C@H]1CNCCC1(F)F ZINC000334585065 354207732 /nfs/dbraw/zinc/20/77/32/354207732.db2.gz ZJDDPIDVCSMLIT-QMMMGPOBSA-N 0 3 218.247 0.900 20 0 BCADHN OC[C@@H]1CSCCN1C[C@@H]1CCCCO1 ZINC000334589342 354218075 /nfs/dbraw/zinc/21/80/75/354218075.db2.gz PVDCZERAFYCKIK-MNOVXSKESA-N 0 3 231.361 0.965 20 0 BCADHN CCC1(O)CN(C(=O)C23CCCN2CCC3)C1 ZINC000334587332 354212992 /nfs/dbraw/zinc/21/29/92/354212992.db2.gz WEDKSPKPEAVAAD-UHFFFAOYSA-N 0 3 238.331 0.598 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000232016382 363359785 /nfs/dbraw/zinc/35/97/85/363359785.db2.gz QIGKIWBJRYRFJO-LPEHRKFASA-N 0 3 214.309 0.391 20 0 BCADHN CC[C@@H](O)CNC(=O)CC1CCN(C)CC1 ZINC000344386122 354258070 /nfs/dbraw/zinc/25/80/70/354258070.db2.gz DEQSUIIQGKFSDW-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H]1CN(C(=O)NCc2cccnc2)[C@@H](C)CN1 ZINC000334596614 354230244 /nfs/dbraw/zinc/23/02/44/354230244.db2.gz FLHUMFDJYHVSAR-MNOVXSKESA-N 0 3 248.330 0.973 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@@H](C)[C@@H](C)OC ZINC000231844436 363356161 /nfs/dbraw/zinc/35/61/61/363356161.db2.gz GJVPPZOQHWPJIJ-LPEHRKFASA-N 0 3 216.325 0.866 20 0 BCADHN C[C@H]1CN(C(=O)NCc2ccccn2)[C@@H](C)CN1 ZINC000334598474 354233664 /nfs/dbraw/zinc/23/36/64/354233664.db2.gz LNKYEHAVVOMHEC-QWRGUYRKSA-N 0 3 248.330 0.973 20 0 BCADHN Cc1ncc(C[NH2+][C@H]2CN(C)C[C@H]2C)c(=O)[n-]1 ZINC000344338572 354234378 /nfs/dbraw/zinc/23/43/78/354234378.db2.gz XNBZPVWVFBNBCD-KCJUWKMLSA-N 0 3 236.319 0.530 20 0 BCADHN CCN(CC(=O)N1CCC1)C[C@H]1CCOC1 ZINC000613463061 363369970 /nfs/dbraw/zinc/36/99/70/363369970.db2.gz KIARGFUGJAERCC-LLVKDONJSA-N 0 3 226.320 0.577 20 0 BCADHN CCN(CC(=O)N1CCC1)C[C@@H]1CCOC1 ZINC000613463062 363370143 /nfs/dbraw/zinc/37/01/43/363370143.db2.gz KIARGFUGJAERCC-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN CCN1CC[C@@H](NC(=O)N2CCN(C)CC2)C1 ZINC000334600875 354279534 /nfs/dbraw/zinc/27/95/34/354279534.db2.gz CJWDKEHLQFVVLW-LLVKDONJSA-N 0 3 240.351 0.038 20 0 BCADHN C[C@@H]1CN(C(=O)NCc2ccncc2)[C@@H](C)CN1 ZINC000334601756 354281137 /nfs/dbraw/zinc/28/11/37/354281137.db2.gz YILZTUVMWHJRQK-MNOVXSKESA-N 0 3 248.330 0.973 20 0 BCADHN Cc1ncc(CNCCNc2cnccn2)cn1 ZINC000344627877 354330168 /nfs/dbraw/zinc/33/01/68/354330168.db2.gz GIXDWKPUELAAMV-UHFFFAOYSA-N 0 3 244.302 0.777 20 0 BCADHN C[C@@H](CNC(=O)C1CCC(=O)CC1)N(C)C ZINC000344732838 354346400 /nfs/dbraw/zinc/34/64/00/354346400.db2.gz VLPMCZCIOZQFTA-VIFPVBQESA-N 0 3 226.320 0.812 20 0 BCADHN Nc1ncc(CN2CCC[C@H](C3CC3)C2)c(N)n1 ZINC000639185039 354379471 /nfs/dbraw/zinc/37/94/71/354379471.db2.gz DRERBHBIZLPCEX-JTQLQIEISA-N 0 3 247.346 0.924 20 0 BCADHN C[C@H]1CN(C)C[C@@H]1NCc1ccc(C(N)=O)nc1 ZINC000344974359 354386282 /nfs/dbraw/zinc/38/62/82/354386282.db2.gz PBJKLILWLSZTOP-CABZTGNLSA-N 0 3 248.330 0.220 20 0 BCADHN CC[C@@H](COC)NCC(C)(C)S(C)(=O)=O ZINC000086503647 491062474 /nfs/dbraw/zinc/06/24/74/491062474.db2.gz YLBKJAIVRFOTEF-VIFPVBQESA-N 0 3 237.365 0.824 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CCCN1C ZINC000345015523 354394748 /nfs/dbraw/zinc/39/47/48/354394748.db2.gz SKRGICDIDNDVGY-WOPDTQHZSA-N 0 3 239.363 0.680 20 0 BCADHN COCCN(C)CCNC(=O)N[C@H]1CC[C@H]1C ZINC000344772524 354360329 /nfs/dbraw/zinc/36/03/29/354360329.db2.gz ZFEIOSMPNMHSEC-MNOVXSKESA-N 0 3 243.351 0.662 20 0 BCADHN Cc1[nH]nc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1C ZINC000334626846 354367515 /nfs/dbraw/zinc/36/75/15/354367515.db2.gz APNKIHUMASITPJ-MNOVXSKESA-N 0 3 248.330 0.803 20 0 BCADHN COC(=O)[C@@H]1CN(C)CCN(C(C)C)C1 ZINC000334647302 354438092 /nfs/dbraw/zinc/43/80/92/354438092.db2.gz QKHHTQPXCNLWII-SNVBAGLBSA-N 0 3 214.309 0.431 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)c1cc[nH]n1 ZINC000334642247 354398389 /nfs/dbraw/zinc/39/83/89/354398389.db2.gz DHGMGDOKGUHPKN-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)c1ccn[nH]1 ZINC000334642247 354398392 /nfs/dbraw/zinc/39/83/92/354398392.db2.gz DHGMGDOKGUHPKN-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN CN1CC[C@@H](N2CCC[C@H](CCO)CC2)C1=O ZINC000334669273 354409289 /nfs/dbraw/zinc/40/92/89/354409289.db2.gz WFIRYQYRJXWPAW-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN COC(=O)CCN1C[C@@H](C)N(C)C[C@H]1C ZINC000351926181 134007909 /nfs/dbraw/zinc/00/79/09/134007909.db2.gz IRARSVBCCWFJHT-NXEZZACHSA-N 0 3 214.309 0.574 20 0 BCADHN CCNC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000335922857 134008052 /nfs/dbraw/zinc/00/80/52/134008052.db2.gz YZJSCOGEWSQISE-RKDXNWHRSA-N 0 3 231.365 0.693 20 0 BCADHN COc1cnccc1[C@@H](C)NC(=O)C1(N)CC1 ZINC000578071170 366218852 /nfs/dbraw/zinc/21/88/52/366218852.db2.gz BKECUELVJOUIDS-MRVPVSSYSA-N 0 3 235.287 0.759 20 0 BCADHN COc1cnccc1[C@H](C)NC(=O)C1(N)CC1 ZINC000578071171 366219053 /nfs/dbraw/zinc/21/90/53/366219053.db2.gz BKECUELVJOUIDS-QMMMGPOBSA-N 0 3 235.287 0.759 20 0 BCADHN Cc1n[nH]cc1CN1C[C@H](C)C[C@H](O)C1 ZINC000334745414 354468883 /nfs/dbraw/zinc/46/88/83/354468883.db2.gz GGLYGIVWEZNBOP-KCJUWKMLSA-N 0 3 209.293 0.921 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)C1CC(C)(O)C1 ZINC000334749899 354474244 /nfs/dbraw/zinc/47/42/44/354474244.db2.gz MJBIILGIXPNEAD-XSRFYTQQSA-N 0 3 240.347 0.700 20 0 BCADHN CCOC(=O)CN(CC)C(=O)[C@H](CC)N(C)C ZINC000179190506 366220933 /nfs/dbraw/zinc/22/09/33/366220933.db2.gz XNTUWOAJPUZDEX-JTQLQIEISA-N 0 3 244.335 0.738 20 0 BCADHN COC[C@H]1CCCN([C@@H]2CCN(C)C2=O)CC1 ZINC000334689021 354477690 /nfs/dbraw/zinc/47/76/90/354477690.db2.gz IPAKVSQASAAYNS-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN COC[C@H]1CCCN([C@H]2CCN(C)C2=O)CC1 ZINC000334689022 354477837 /nfs/dbraw/zinc/47/78/37/354477837.db2.gz IPAKVSQASAAYNS-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C)CCNC(=O)NC[C@@H]1CCCOC1 ZINC000179215661 366225631 /nfs/dbraw/zinc/22/56/31/366225631.db2.gz ZCVUATDZMSAWJU-JTQLQIEISA-N 0 3 229.324 0.274 20 0 BCADHN CC(C)CN1CCC[C@@H]1CS(N)(=O)=O ZINC000074316043 354604826 /nfs/dbraw/zinc/60/48/26/354604826.db2.gz AIJZHWGDXMFFDG-SECBINFHSA-N 0 3 220.338 0.395 20 0 BCADHN OCCN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000334805494 354561896 /nfs/dbraw/zinc/56/18/96/354561896.db2.gz FHZPLWDLZYPPLQ-RYUDHWBXSA-N 0 3 207.273 0.787 20 0 BCADHN O=C(CN1CCCCCC1)N1CCNC1=O ZINC000032799470 354581104 /nfs/dbraw/zinc/58/11/04/354581104.db2.gz LYNBARPBVLGVGV-UHFFFAOYSA-N 0 3 225.292 0.414 20 0 BCADHN CC(C)N1CCC[C@@H](NC(=O)[C@@H](C)O)C1 ZINC000334772282 354592487 /nfs/dbraw/zinc/59/24/87/354592487.db2.gz PQQXLFQKXUNTSM-NXEZZACHSA-N 0 3 214.309 0.356 20 0 BCADHN C[C@H](O)CCN1CCCc2c(cnn2C)C1 ZINC000335095134 354633835 /nfs/dbraw/zinc/63/38/35/354633835.db2.gz PSTGMXGQXJZDKM-JTQLQIEISA-N 0 3 223.320 0.939 20 0 BCADHN C[C@H](CN(C)C)NC(=O)C[C@H]1CCCC(=O)N1 ZINC000345406919 354651347 /nfs/dbraw/zinc/65/13/47/354651347.db2.gz LWIWNDVMAJUJKV-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CCOC(=O)C1(CNCc2cncn2C)CC1 ZINC000351941267 134014719 /nfs/dbraw/zinc/01/47/19/134014719.db2.gz ORIZQJMVRUXFBN-UHFFFAOYSA-N 0 3 237.303 0.853 20 0 BCADHN COc1ccncc1CN[C@H]1CCCNC(=O)C1 ZINC000639202526 354608039 /nfs/dbraw/zinc/60/80/39/354608039.db2.gz CWTMTUKWAPBULV-NSHDSACASA-N 0 3 249.314 0.849 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2ccc[nH]c2=O)CCCN1C ZINC000345320828 354609614 /nfs/dbraw/zinc/60/96/14/354609614.db2.gz OAJMIVHIHYDGSL-MWLCHTKSSA-N 0 3 249.314 1.000 20 0 BCADHN C[C@@H]1[C@H](NC(=O)C2(O)CCCC2)CCCN1C ZINC000345319944 354609838 /nfs/dbraw/zinc/60/98/38/354609838.db2.gz MQHGEOXJHDXBKS-GHMZBOCLSA-N 0 3 240.347 0.890 20 0 BCADHN Cc1n[nH]c(C(=O)NCCc2ncc[nH]2)c1C ZINC000345351373 354624816 /nfs/dbraw/zinc/62/48/16/354624816.db2.gz ZWUQDVQXIVUPNS-UHFFFAOYSA-N 0 3 233.275 0.722 20 0 BCADHN C[C@@H]1CN(C)CCN1CC1=CCCOC1 ZINC000335089533 354624940 /nfs/dbraw/zinc/62/49/40/354624940.db2.gz GUDDYWUXMLSABQ-LLVKDONJSA-N 0 3 210.321 0.969 20 0 BCADHN Cc1nnc(CN2C[C@@H](C)N(C)C[C@@H]2C)n1C ZINC000351942889 134015118 /nfs/dbraw/zinc/01/51/18/134015118.db2.gz CQOKOYUKIORLLC-ZJUUUORDSA-N 0 3 237.351 0.648 20 0 BCADHN C[C@@H]1CCN(CCN2CCNC2=O)CCS1 ZINC000335112253 354698608 /nfs/dbraw/zinc/69/86/08/354698608.db2.gz GUQPISWDWWNTKT-SNVBAGLBSA-N 0 3 243.376 0.839 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)c3ccon3)[C@@H]2C1 ZINC000335115961 354705559 /nfs/dbraw/zinc/70/55/59/354705559.db2.gz YNRXBINZLSASGR-GXSJLCMTSA-N 0 3 235.287 0.841 20 0 BCADHN CCOC(=O)C1(CNCc2cncnc2)CC1 ZINC000351947690 134015768 /nfs/dbraw/zinc/01/57/68/134015768.db2.gz UWVFFXVUPISVAC-UHFFFAOYSA-N 0 3 235.287 0.910 20 0 BCADHN C[C@H](CCO)NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345691783 354733541 /nfs/dbraw/zinc/73/35/41/354733541.db2.gz KEMPZUIPJUJBBL-GMTAPVOTSA-N 0 3 243.351 0.539 20 0 BCADHN CCCN(CC(N)=O)C[C@](C)(CC)OC ZINC000639205226 354666658 /nfs/dbraw/zinc/66/66/58/354666658.db2.gz XLLQLIURLHGMOC-NSHDSACASA-N 0 3 216.325 0.999 20 0 BCADHN CCCCN(C)CCNC(=O)[C@@H](C)O ZINC000345526551 354673308 /nfs/dbraw/zinc/67/33/08/354673308.db2.gz ULSCGZSCKFEQRJ-SECBINFHSA-N 0 3 202.298 0.215 20 0 BCADHN CCC(=O)NCCCN1CCC(O)CC1 ZINC000345530289 354673925 /nfs/dbraw/zinc/67/39/25/354673925.db2.gz QTDNSFGBXHXUDT-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN COCC(C)(C)NC(=O)C1CCN(C)CC1 ZINC000345502242 354682012 /nfs/dbraw/zinc/68/20/12/354682012.db2.gz HIPYBSPDYXXXHX-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN CCn1nccc1NC(=O)[C@H](N)CC(F)F ZINC000345731411 354746575 /nfs/dbraw/zinc/74/65/75/354746575.db2.gz YJXDFZVZYQVWTI-ZCFIWIBFSA-N 0 3 232.234 0.824 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)[C@@H](N)CC(F)F ZINC000345732944 354747397 /nfs/dbraw/zinc/74/73/97/354747397.db2.gz NKEFALALEGMEGK-YUMQZZPRSA-N 0 3 238.278 0.492 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@@H](N)CC(F)F ZINC000345750965 354751094 /nfs/dbraw/zinc/75/10/94/354751094.db2.gz BTJJJULUCPSGHR-FXQIFTODSA-N 0 3 238.278 0.492 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@H](N)CC(F)F ZINC000345750967 354751309 /nfs/dbraw/zinc/75/13/09/354751309.db2.gz BTJJJULUCPSGHR-XLPZGREQSA-N 0 3 238.278 0.492 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@@H](N)CC(F)F ZINC000345750964 354751362 /nfs/dbraw/zinc/75/13/62/354751362.db2.gz BTJJJULUCPSGHR-BIIVOSGPSA-N 0 3 238.278 0.492 20 0 BCADHN CCN1CCN(CCNC(=O)CC2CC2)CC1 ZINC000345755474 354752917 /nfs/dbraw/zinc/75/29/17/354752917.db2.gz CDNHWIHHRGXZIS-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN C[C@@H]1COC[C@@H](C)N1C(=O)[C@@H](N)CC(F)F ZINC000345702599 354753572 /nfs/dbraw/zinc/75/35/72/354753572.db2.gz BQNVFEXOKRYRCF-PRJMDXOYSA-N 0 3 236.262 0.605 20 0 BCADHN CCC[C@H](N)C(=O)N1CCN(C)C[C@H]1C ZINC000233355484 363399634 /nfs/dbraw/zinc/39/96/34/363399634.db2.gz VQPMCPYJSVEYOT-ZJUUUORDSA-N 0 3 213.325 0.276 20 0 BCADHN CCN(C)C(=O)CNCC1(SC)CC1 ZINC000233438106 363402186 /nfs/dbraw/zinc/40/21/86/363402186.db2.gz WFDYKLIVNWLHBU-UHFFFAOYSA-N 0 3 216.350 0.950 20 0 BCADHN CCCN(C)CC(=O)NCc1ccn(C)n1 ZINC000345910920 354805635 /nfs/dbraw/zinc/80/56/35/354805635.db2.gz CULZVMIOGWRXNK-UHFFFAOYSA-N 0 3 224.308 0.378 20 0 BCADHN C[C@H]1C[C@@H](CO)CN(CC(=O)N(C)C)C1 ZINC000398637260 363380195 /nfs/dbraw/zinc/38/01/95/363380195.db2.gz UDNPJRRYQHMKOI-VHSXEESVSA-N 0 3 214.309 0.025 20 0 BCADHN CN(C)CCOCCNC(=O)CC1CC1 ZINC000345927022 354809936 /nfs/dbraw/zinc/80/99/36/354809936.db2.gz HCVFIMWHQFQXOP-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN C[C@H]1OCC[C@H]1C(=O)NCCOCCN(C)C ZINC000345933997 354812516 /nfs/dbraw/zinc/81/25/16/354812516.db2.gz OCBQMPFJVGAJOI-GHMZBOCLSA-N 0 3 244.335 0.106 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](CO)C(C)C ZINC000345952744 354819315 /nfs/dbraw/zinc/81/93/15/354819315.db2.gz IRWNXMLTCVWKMK-LLVKDONJSA-N 0 3 230.352 0.709 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CC[C@H](OC)C1 ZINC000232977081 363390859 /nfs/dbraw/zinc/39/08/59/363390859.db2.gz QKDYOAHZEFIFKO-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN CC[C@H](SC)C(=O)NCCOCCN(C)C ZINC000345972744 354824316 /nfs/dbraw/zinc/82/43/16/354824316.db2.gz ZHRZEFJJHVFFFK-JTQLQIEISA-N 0 3 248.392 0.822 20 0 BCADHN CCCNC(=O)CN[C@]1(C)CCO[C@@H]1C ZINC000233043750 363391662 /nfs/dbraw/zinc/39/16/62/363391662.db2.gz CULDRXVZRKIJPF-MWLCHTKSSA-N 0 3 214.309 0.670 20 0 BCADHN CCNC(=O)CN[C@@H](COCC)C(C)C ZINC000233482651 363404028 /nfs/dbraw/zinc/40/40/28/363404028.db2.gz PVPLLOISMMVSGG-JTQLQIEISA-N 0 3 216.325 0.773 20 0 BCADHN CC(C)[C@H](CO)CNC(=O)CN(C)C(C)C ZINC000345919645 354825928 /nfs/dbraw/zinc/82/59/28/354825928.db2.gz BAMXDJJRRBQXLG-NSHDSACASA-N 0 3 230.352 0.707 20 0 BCADHN CC[C@H](O)CN1CC[C@H](n2cncn2)C1 ZINC000366923821 354831632 /nfs/dbraw/zinc/83/16/32/354831632.db2.gz UWYWIJHPAKGOBO-UWVGGRQHSA-N 0 3 210.281 0.296 20 0 BCADHN CC[C@H](CO)N(C)CC1CCS(=O)(=O)CC1 ZINC000345877785 354794147 /nfs/dbraw/zinc/79/41/47/354794147.db2.gz CTIOTWCUQFTCNI-LLVKDONJSA-N 0 3 249.376 0.514 20 0 BCADHN CCNC(=O)CN[C@H](COCC)C(C)C ZINC000233484897 363403789 /nfs/dbraw/zinc/40/37/89/363403789.db2.gz PVPLLOISMMVSGG-SNVBAGLBSA-N 0 3 216.325 0.773 20 0 BCADHN COC(CN[C@@H]1CCO[C@H]1C1CC1)OC ZINC000234602101 363425331 /nfs/dbraw/zinc/42/53/31/363425331.db2.gz MSBKVUXTMXTSEC-KOLCDFICSA-N 0 3 215.293 0.762 20 0 BCADHN CCOC[C@H](NC(=O)[C@H](N)CC)C(C)C ZINC000233757990 363407624 /nfs/dbraw/zinc/40/76/24/363407624.db2.gz KECPFINJKWTJNM-ZJUUUORDSA-N 0 3 216.325 0.901 20 0 BCADHN C[C@@H](CNC(=O)N1CCCO[C@@H](C)C1)N(C)C ZINC000335146693 354857955 /nfs/dbraw/zinc/85/79/55/354857955.db2.gz NVHSCXYLQMOVSO-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN CC[C@@H](O)CN1C[C@@H](OC)[C@@H](OC)C1 ZINC000233893636 363409772 /nfs/dbraw/zinc/40/97/72/363409772.db2.gz LJDIJJOJSMMERW-BBBLOLIVSA-N 0 3 203.282 0.103 20 0 BCADHN CCn1nccc1C(=O)NCCN1CCCC1 ZINC000681260752 491068235 /nfs/dbraw/zinc/06/82/35/491068235.db2.gz AREMSJGAPIRAPP-UHFFFAOYSA-N 0 3 236.319 0.729 20 0 BCADHN O=C1C[C@H](NCc2n[nH]c(C3CC3)n2)CCCN1 ZINC000639220834 354884567 /nfs/dbraw/zinc/88/45/67/354884567.db2.gz GPXOYIWTWSWLBS-SECBINFHSA-N 0 3 249.318 0.440 20 0 BCADHN O=C1C[C@@H](NCc2n[nH]c(C3CC3)n2)CCCN1 ZINC000639220839 354885089 /nfs/dbraw/zinc/88/50/89/354885089.db2.gz GPXOYIWTWSWLBS-VIFPVBQESA-N 0 3 249.318 0.440 20 0 BCADHN CC[S@](=O)CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000346354114 354889360 /nfs/dbraw/zinc/88/93/60/354889360.db2.gz ILRNHQHQEFRBRO-QFYYESIMSA-N 0 3 246.376 0.308 20 0 BCADHN CSC1(CNCC(=O)NC2CC2)CC1 ZINC000235223311 363439784 /nfs/dbraw/zinc/43/97/84/363439784.db2.gz ZANBJQHFORXJGI-UHFFFAOYSA-N 0 3 214.334 0.750 20 0 BCADHN OC[C@@H]1C[C@@H](F)CN1C[C@H]1CCOC1 ZINC000346355694 354890048 /nfs/dbraw/zinc/89/00/48/354890048.db2.gz HXCJEQURZOEZSD-BBBLOLIVSA-N 0 3 203.257 0.428 20 0 BCADHN CNCC(=O)N1CCOC[C@@H]1c1ccco1 ZINC000366940779 354894012 /nfs/dbraw/zinc/89/40/12/354894012.db2.gz LJHJSKUKKISXRQ-SECBINFHSA-N 0 3 224.260 0.399 20 0 BCADHN CC1(CN2C[C@H](F)C[C@H]2CO)COC1 ZINC000346359703 354917272 /nfs/dbraw/zinc/91/72/72/354917272.db2.gz CEZDWPUVYPDJFR-BDAKNGLRSA-N 0 3 203.257 0.428 20 0 BCADHN Cc1nn(C)cc1CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000346324163 354896922 /nfs/dbraw/zinc/89/69/22/354896922.db2.gz VXWRMBUAJYKIJT-UHTWSYAYSA-N 0 3 235.331 0.931 20 0 BCADHN C[C@H](C[S@@](C)=O)N[C@@H](C)c1ccnn1C ZINC000235485212 363445219 /nfs/dbraw/zinc/44/52/19/363445219.db2.gz BBZZTMBOEACREG-CEFVDNRUSA-N 0 3 229.349 0.838 20 0 BCADHN CN(C(=O)[C@@H]1CC[C@@H](O)C1)[C@H]1CCCN(C)C1 ZINC000346373252 354902884 /nfs/dbraw/zinc/90/28/84/354902884.db2.gz NTYWLMZWSBQTGZ-GRYCIOLGSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@@H](NC(=O)Cc1nc[nH]c1C)C(=O)OC ZINC000346362750 354917617 /nfs/dbraw/zinc/91/76/17/354917617.db2.gz DNLILEXVCGRMPV-MRVPVSSYSA-N 0 3 239.275 0.328 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)C1CCN(C)CC1 ZINC000346377965 354905210 /nfs/dbraw/zinc/90/52/10/354905210.db2.gz RIJQPQDCMJIYBH-GFCCVEGCSA-N 0 3 242.363 0.851 20 0 BCADHN COC(=O)CCCN1C[C@@H](OC)[C@H](OC)C1 ZINC000234787262 363430720 /nfs/dbraw/zinc/43/07/20/363430720.db2.gz FZCPGWGCAHYQRH-NXEZZACHSA-N 0 3 231.292 0.285 20 0 BCADHN CO[C@@H]1CN(C[C@H](O)C(C)C)C[C@@H]1OC ZINC000234809247 363431648 /nfs/dbraw/zinc/43/16/48/363431648.db2.gz XHOCAZPNKZPICA-GARJFASQSA-N 0 3 217.309 0.349 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@H](N)CCSC)C1 ZINC000234791619 363431987 /nfs/dbraw/zinc/43/19/87/363431987.db2.gz AHZWZFHJGAEHEF-DTWKUNHWSA-N 0 3 232.349 0.314 20 0 BCADHN COC(C)(C)CCN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000346431685 354931175 /nfs/dbraw/zinc/93/11/75/354931175.db2.gz IYWSHSWPFDKTPO-ZJUUUORDSA-N 0 3 244.335 0.376 20 0 BCADHN COC(C)(C)CCN1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000346431671 354931380 /nfs/dbraw/zinc/93/13/80/354931380.db2.gz IYWSHSWPFDKTPO-UWVGGRQHSA-N 0 3 244.335 0.376 20 0 BCADHN Cc1cn[nH]c1CN1C[C@H](O)C2(CC2)C1 ZINC000335173644 354940062 /nfs/dbraw/zinc/94/00/62/354940062.db2.gz XLLHOLIBTUELJX-JTQLQIEISA-N 0 3 207.277 0.675 20 0 BCADHN C[C@@H]1CN(CCOCC(F)F)CC[C@H]1O ZINC000346587606 355002111 /nfs/dbraw/zinc/00/21/11/355002111.db2.gz ZZWCCFPQMVRHDZ-RKDXNWHRSA-N 0 3 223.263 0.971 20 0 BCADHN Cc1nnsc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000379441583 358492923 /nfs/dbraw/zinc/49/29/23/358492923.db2.gz SFHLXEQFZSUSLT-HTRCEHHLSA-N 0 3 240.332 0.669 20 0 BCADHN CNC(=O)N[C@H]1CCN(CCC(C)(C)OC)C1 ZINC000346573360 354973071 /nfs/dbraw/zinc/97/30/71/354973071.db2.gz QXQVHQRNLJNSFX-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN O[C@H](CN1C[C@@H](O)C2(CC2)C1)CC(F)(F)F ZINC000346521814 354974697 /nfs/dbraw/zinc/97/46/97/354974697.db2.gz JNSDKMZLILNKSP-JGVFFNPUSA-N 0 3 239.237 0.756 20 0 BCADHN COC(C)(C)CCN1CCN(C[C@@H](C)O)CC1 ZINC000346523826 354975535 /nfs/dbraw/zinc/97/55/35/354975535.db2.gz FTZOLYWKKHIVPS-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN C[C@@H]1CN(CC[C@H]2CCCO2)CCN1CCO ZINC000346531186 354978823 /nfs/dbraw/zinc/97/88/23/354978823.db2.gz RTXNTPWARGLDOB-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN Cc1nnsc1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000379441588 358493198 /nfs/dbraw/zinc/49/31/98/358493198.db2.gz SFHLXEQFZSUSLT-XPUUQOCRSA-N 0 3 240.332 0.669 20 0 BCADHN CN(CCOCC(F)F)C1CC(O)C1 ZINC000346536877 354980036 /nfs/dbraw/zinc/98/00/36/354980036.db2.gz RPFNTYHUWLXPHD-UHFFFAOYSA-N 0 3 209.236 0.723 20 0 BCADHN C[C@H]1NC(=O)N(CCN2CCCC[C@@H]2C)C1=O ZINC000335961806 134027132 /nfs/dbraw/zinc/02/71/32/134027132.db2.gz ZODPZAPCHXIXDM-VHSXEESVSA-N 0 3 239.319 0.801 20 0 BCADHN CCCN(CC(=O)NC(N)=O)CC(C)C ZINC000346607393 354991763 /nfs/dbraw/zinc/99/17/63/354991763.db2.gz UYRWEHJIEDBTIE-UHFFFAOYSA-N 0 3 215.297 0.549 20 0 BCADHN CN1CCC(CC(=O)N2CCC[C@H]2CO)CC1 ZINC000335205624 355041185 /nfs/dbraw/zinc/04/11/85/355041185.db2.gz QPXLXVNCCXXPGJ-LBPRGKRZSA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@H](F)CN1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000346656951 355004805 /nfs/dbraw/zinc/00/48/05/355004805.db2.gz KZZWBJRVDFJPNJ-HRDYMLBCSA-N 0 3 202.273 0.788 20 0 BCADHN COCCOCCN1CC[C@@H](C(=O)OC)[C@H]1C ZINC000346668584 355007540 /nfs/dbraw/zinc/00/75/40/355007540.db2.gz UNDSIWGOSFZGTN-GHMZBOCLSA-N 0 3 245.319 0.533 20 0 BCADHN COC(=O)CCCN1CC[C@H](C(=O)OC)[C@@H]1C ZINC000346674530 355008426 /nfs/dbraw/zinc/00/84/26/355008426.db2.gz WZRJZCFRLJGEFH-UWVGGRQHSA-N 0 3 243.303 0.823 20 0 BCADHN CC1(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)COC1 ZINC000346685628 355011412 /nfs/dbraw/zinc/01/14/12/355011412.db2.gz IOPQRHCHNDMWAP-GARJFASQSA-N 0 3 238.331 0.609 20 0 BCADHN CC1(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)COC1 ZINC000346685629 355013205 /nfs/dbraw/zinc/01/32/05/355013205.db2.gz IOPQRHCHNDMWAP-HBNTYKKESA-N 0 3 238.331 0.609 20 0 BCADHN CNC(=O)NC(=O)CN1CC(C)(C)C[C@@H]1C ZINC000335190229 355022040 /nfs/dbraw/zinc/02/20/40/355022040.db2.gz NMFRIZZIRFBBGI-QMMMGPOBSA-N 0 3 227.308 0.562 20 0 BCADHN CO[C@]1(C)CCCN(CC(=O)N(C)C)CC1 ZINC000335183464 355082075 /nfs/dbraw/zinc/08/20/75/355082075.db2.gz SXCVQPWAEZRHPD-GFCCVEGCSA-N 0 3 228.336 0.966 20 0 BCADHN CCN1CC[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC000412832347 191317678 /nfs/dbraw/zinc/31/76/78/191317678.db2.gz DIEAZPFOVSTYLZ-NSHDSACASA-N 0 3 236.319 0.402 20 0 BCADHN CCc1cc(N(C)[C@H]2CCNC2=O)ccn1 ZINC000335221304 355061960 /nfs/dbraw/zinc/06/19/60/355061960.db2.gz DMLIUHZLBUJSTH-NSHDSACASA-N 0 3 219.288 0.969 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000412876463 191325212 /nfs/dbraw/zinc/32/52/12/191325212.db2.gz KKBHVXZJELQFHQ-KKOKHZNYSA-N 0 3 238.331 0.764 20 0 BCADHN CCN1CC[C@@H](NC(=O)Cn2cc(C)cn2)C1 ZINC000412832346 191318999 /nfs/dbraw/zinc/31/89/99/191318999.db2.gz DIEAZPFOVSTYLZ-LLVKDONJSA-N 0 3 236.319 0.402 20 0 BCADHN CCN1CC[C@H](NC(=O)c2ccncn2)C1 ZINC000412872700 191322447 /nfs/dbraw/zinc/32/24/47/191322447.db2.gz HLMBXFZEZBHBLK-VIFPVBQESA-N 0 3 220.276 0.301 20 0 BCADHN C[C@H](CO)NC(=O)CC1CCN(C)CC1 ZINC000346959802 355169669 /nfs/dbraw/zinc/16/96/69/355169669.db2.gz SCVDEBDDIQPINN-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)NCC(=O)C2CC2)CCN1C ZINC000346827490 355127766 /nfs/dbraw/zinc/12/77/66/355127766.db2.gz MTINYGQTWSPDBD-KOLCDFICSA-N 0 3 238.331 0.812 20 0 BCADHN CC(C)NS(=O)(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000351999673 134033683 /nfs/dbraw/zinc/03/36/83/134033683.db2.gz MABSXXNGIOQWOF-NXEZZACHSA-N 0 3 249.380 0.302 20 0 BCADHN CN1CCC(CC(=O)N2CC[C@H](O)C2)CC1 ZINC000346900865 355148639 /nfs/dbraw/zinc/14/86/39/355148639.db2.gz TVHHEBCCVFPDRN-NSHDSACASA-N 0 3 226.320 0.312 20 0 BCADHN CCN1CC[C@H](NC(=O)c2cnc(C)nc2C)C1 ZINC000412878385 191326118 /nfs/dbraw/zinc/32/61/18/191326118.db2.gz NQBUMPSWYKQFQB-NSHDSACASA-N 0 3 248.330 0.917 20 0 BCADHN CC1(C)CN(CCN2CCCC2=O)C[C@H]1O ZINC000335244040 355181037 /nfs/dbraw/zinc/18/10/37/355181037.db2.gz PDWQIFGCWIRQPD-SNVBAGLBSA-N 0 3 226.320 0.312 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCC[C@@H](CO)C1)N(C)C ZINC000412941207 191329368 /nfs/dbraw/zinc/32/93/68/191329368.db2.gz RXFGYGUYYXWGCS-GRYCIOLGSA-N 0 3 242.363 0.994 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H]1CCCNC(=O)C1 ZINC000639239364 355222746 /nfs/dbraw/zinc/22/27/46/355222746.db2.gz JFMWRHQBFYYQMF-GMTAPVOTSA-N 0 3 242.319 0.049 20 0 BCADHN CC[C@@H](N[C@H](C)Cc1cnccn1)C(=O)NC ZINC000639242339 355226953 /nfs/dbraw/zinc/22/69/53/355226953.db2.gz QVTUNCNLFCSJIG-MWLCHTKSSA-N 0 3 236.319 0.522 20 0 BCADHN CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)C[NH3+])c1 ZINC000347622749 355238500 /nfs/dbraw/zinc/23/85/00/355238500.db2.gz FMTCGTNSTJTMHO-MRVPVSSYSA-N 0 3 246.336 0.090 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NCCCCO ZINC000347631761 355241769 /nfs/dbraw/zinc/24/17/69/355241769.db2.gz OPWSHAHUIPGKAS-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN CC[C@@H](CN1C[C@@H](OC)[C@@H](OC)C1)OC ZINC000412975922 191346057 /nfs/dbraw/zinc/34/60/57/191346057.db2.gz GTVRVRGPQOLELC-GARJFASQSA-N 0 3 217.309 0.757 20 0 BCADHN COCC(COC)NC1CC(n2cccn2)C1 ZINC000639234769 355219324 /nfs/dbraw/zinc/21/93/24/355219324.db2.gz FVUOEOBVSLCKKW-UHFFFAOYSA-N 0 3 239.319 0.838 20 0 BCADHN CCC[C@H](O)[C@H](CO)Nc1ccnc(CC)c1 ZINC000413500622 191392181 /nfs/dbraw/zinc/39/21/81/191392181.db2.gz KPPHMTPOGVBSRR-STQMWFEESA-N 0 3 238.331 1.000 20 0 BCADHN CC(C)n1ncnc1CN1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000639246214 355274328 /nfs/dbraw/zinc/27/43/28/355274328.db2.gz MOJAHOTUFAQCSI-NWDGAFQWSA-N 0 3 249.362 0.995 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C(=O)OC)C1CC1)N(C)C ZINC000413550127 191395752 /nfs/dbraw/zinc/39/57/52/191395752.db2.gz WMRWMBBFMFQWKV-VHSXEESVSA-N 0 3 242.319 0.394 20 0 BCADHN CN(C)C[C@@H]1CCN(CCCS(C)(=O)=O)C1 ZINC000113514212 355250248 /nfs/dbraw/zinc/25/02/48/355250248.db2.gz QECPATIABNDEDS-NSHDSACASA-N 0 3 248.392 0.305 20 0 BCADHN CC[C@@H](C(=O)N[C@](C)(CC)C(=O)OC)N(C)C ZINC000413293868 191369157 /nfs/dbraw/zinc/36/91/57/191369157.db2.gz FWWILULWGCRHOL-JOYOIKCWSA-N 0 3 244.335 0.785 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@@H](N)C(C)C)no1 ZINC000347666539 355256661 /nfs/dbraw/zinc/25/66/61/355256661.db2.gz ZCMISKOZXJTJCX-VIFPVBQESA-N 0 3 226.280 0.320 20 0 BCADHN CCc1cc(N[C@@H](CO)c2ccnn2C)ccn1 ZINC000413438705 191380534 /nfs/dbraw/zinc/38/05/34/191380534.db2.gz QBNDHYJMSISDQD-LBPRGKRZSA-N 0 3 246.314 0.945 20 0 BCADHN CN(C)C(=O)C1(NCCC[C@H]2CCO2)CC1 ZINC000639261744 355314568 /nfs/dbraw/zinc/31/45/68/355314568.db2.gz NCCISTMNUSCBOE-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1C[C@@H](CNCc2ncnn2C)[C@@H](C)O1 ZINC000639263986 355320613 /nfs/dbraw/zinc/32/06/13/355320613.db2.gz KRTLANPQHHWKLA-BBBLOLIVSA-N 0 3 224.308 0.718 20 0 BCADHN Cc1nnc(NC(=O)CCOC2CNC2)s1 ZINC000348989111 355336714 /nfs/dbraw/zinc/33/67/14/355336714.db2.gz BWOOIPGSPORERM-UHFFFAOYSA-N 0 3 242.304 0.164 20 0 BCADHN C[C@@H](CNC(=O)N1C[C@H](O)C[C@H](C)C1)N(C)C ZINC000413599544 191399813 /nfs/dbraw/zinc/39/98/13/191399813.db2.gz WZJCIMGNARAYRE-GARJFASQSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@@H](CNC(=O)N1CCO[C@@H](CF)C1)N(C)C ZINC000413587271 191399950 /nfs/dbraw/zinc/39/99/50/191399950.db2.gz FHKZCMQRVCGSEJ-UWVGGRQHSA-N 0 3 247.314 0.316 20 0 BCADHN CCNC(=O)C1CN(CCC[C@@H]2CCO2)C1 ZINC000639250811 355281099 /nfs/dbraw/zinc/28/10/99/355281099.db2.gz CFDZDEXQHGYQNC-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN CCNC(=O)C1CN(C[C@@H](OC)C2CC2)C1 ZINC000639251067 355281679 /nfs/dbraw/zinc/28/16/79/355281679.db2.gz HENUNSCNSLVBDS-LLVKDONJSA-N 0 3 226.320 0.479 20 0 BCADHN CCNC(=O)C1CN(C[C@@](C)(CC)OC)C1 ZINC000639251447 355284175 /nfs/dbraw/zinc/28/41/75/355284175.db2.gz QEZNONDGIKZLQR-GFCCVEGCSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](N1CC(CCO)C1)C(C)(C)n1cncn1 ZINC000639251535 355284908 /nfs/dbraw/zinc/28/49/08/355284908.db2.gz RBQPBTGGIRRNBH-JTQLQIEISA-N 0 3 238.335 0.716 20 0 BCADHN CO[C@@H](CN1CC(C(C)(C)O)C1)[C@H]1CCOC1 ZINC000639252425 355286419 /nfs/dbraw/zinc/28/64/19/355286419.db2.gz HHTPWUBMNORKDZ-JQWIXIFHSA-N 0 3 243.347 0.741 20 0 BCADHN CC[C@@H](C(=O)N(CCO)C1CCC1)N(C)C ZINC000413727698 191406863 /nfs/dbraw/zinc/40/68/63/191406863.db2.gz BZBMIRMXRFTHOD-NSHDSACASA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H](N[C@H]1CCC(=O)N(C)C1=O)[C@H]1CC1(F)F ZINC000639278499 355363667 /nfs/dbraw/zinc/36/36/67/355363667.db2.gz LEWABXLXNFOMDH-RNJXMRFFSA-N 0 3 246.257 0.767 20 0 BCADHN CNC(=O)CCN1CCN(C)[C@@H](C)[C@@H]1C ZINC000335757617 355393800 /nfs/dbraw/zinc/39/38/00/355393800.db2.gz AYNGOTGIIHWLOV-UWVGGRQHSA-N 0 3 213.325 0.147 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)Cc1cnccn1 ZINC000211781542 355388491 /nfs/dbraw/zinc/38/84/91/355388491.db2.gz NOYBUPKMPHNXNY-SNVBAGLBSA-N 0 3 222.292 0.418 20 0 BCADHN CC[C@@](C)(CN[C@@H]1COC[C@H]1OC)OC ZINC000639285153 355388652 /nfs/dbraw/zinc/38/86/52/355388652.db2.gz IFNDUAGJHXYYTQ-MXWKQRLJSA-N 0 3 217.309 0.805 20 0 BCADHN CC[C@](C)(CN[C@@H]1COC[C@H]1OC)OC ZINC000639285152 355388755 /nfs/dbraw/zinc/38/87/55/355388755.db2.gz IFNDUAGJHXYYTQ-GMTAPVOTSA-N 0 3 217.309 0.805 20 0 BCADHN NC(=O)CC1(CNCc2ccns2)CC1 ZINC000639274406 355342492 /nfs/dbraw/zinc/34/24/92/355342492.db2.gz PZSFIQNXSPPKBB-UHFFFAOYSA-N 0 3 225.317 0.888 20 0 BCADHN CC(=O)N[C@H]1CCN(CCC[C@@H]2CCO2)C1 ZINC000639272636 355343805 /nfs/dbraw/zinc/34/38/05/355343805.db2.gz IICXORWJFYMSPN-NWDGAFQWSA-N 0 3 226.320 0.766 20 0 BCADHN CO[C@@]1(CN2CC[C@H](NC(C)=O)C2)CCOC1 ZINC000639275805 355352360 /nfs/dbraw/zinc/35/23/60/355352360.db2.gz XNRNPMMOEYDWPC-NWDGAFQWSA-N 0 3 242.319 0.002 20 0 BCADHN O[C@H]1C[C@@H](CNCc2cnc3cnccn23)C1 ZINC000623749306 355356356 /nfs/dbraw/zinc/35/63/56/355356356.db2.gz BWHIEQPVFIDPDI-JGZJWPJOSA-N 0 3 232.287 0.590 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCC(C)(C)CC1 ZINC000335777339 355402885 /nfs/dbraw/zinc/40/28/85/355402885.db2.gz KNNMNBKBXGXVED-MRVPVSSYSA-N 0 3 227.308 0.692 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)Cc1cc[nH]n1)N(C)C ZINC000349703753 355415030 /nfs/dbraw/zinc/41/50/30/355415030.db2.gz QRJVJGOEWMTDKG-NSHDSACASA-N 0 3 238.335 0.954 20 0 BCADHN CC[C@H](NCCCOCCO)c1ccn(C)n1 ZINC000349715001 355417371 /nfs/dbraw/zinc/41/73/71/355417371.db2.gz CIKGNQCTISKLHI-NSHDSACASA-N 0 3 241.335 0.860 20 0 BCADHN C[C@@H]1COC[C@@H](C)N1C(=O)C1CCN(C)CC1 ZINC000335785735 355435456 /nfs/dbraw/zinc/43/54/56/355435456.db2.gz AFWCHVFAKOKUIT-GHMZBOCLSA-N 0 3 240.347 0.964 20 0 BCADHN OCCCN1CCC[C@@H](Nc2ncccn2)C1 ZINC000349839666 355491887 /nfs/dbraw/zinc/49/18/87/355491887.db2.gz LOLNYHUDCUJQGU-LLVKDONJSA-N 0 3 236.319 0.735 20 0 BCADHN C[C@@H](O)[C@H]1CCCCN1CC(=O)N1CCC1 ZINC000335798732 355457514 /nfs/dbraw/zinc/45/75/14/355457514.db2.gz NPNJXCJJJUVWHC-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@@H](C(C)C)N(C)C ZINC000349933846 355530457 /nfs/dbraw/zinc/53/04/57/355530457.db2.gz JXRINYUJQQMXDD-LLVKDONJSA-N 0 3 238.335 0.921 20 0 BCADHN C[C@H]1C(=O)NCCCN1CC1(C)COC1 ZINC000349936986 355531806 /nfs/dbraw/zinc/53/18/06/355531806.db2.gz RSYBMVLSDGSYDX-VIFPVBQESA-N 0 3 212.293 0.233 20 0 BCADHN COC(=O)C(C)(C)CCN[C@H]1CCN(C)C1=O ZINC000349970102 355549409 /nfs/dbraw/zinc/54/94/09/355549409.db2.gz HVLAYXMYYYAGRF-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN C[C@@]1(C(N)=O)CCN(CC(=O)N2CCCC2)C1 ZINC000335829940 355555877 /nfs/dbraw/zinc/55/58/77/355555877.db2.gz VQHXVEVOLYDWFB-GFCCVEGCSA-N 0 3 239.319 0.856 20 0 BCADHN Cc1nncn1CCNC(=O)CN(C)C(C)C ZINC000349871147 355513615 /nfs/dbraw/zinc/51/36/15/355513615.db2.gz AVZHYQPKSTWOTJ-UHFFFAOYSA-N 0 3 239.323 0.043 20 0 BCADHN CC(C)[C@@H](O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000349887196 355519436 /nfs/dbraw/zinc/51/94/36/355519436.db2.gz CEHGZPOQPYYIHA-VXGBXAGGSA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)[C@H](O)C(=O)NCCN1CCCC[C@@H]1C ZINC000349896631 355520712 /nfs/dbraw/zinc/52/07/12/355520712.db2.gz QAIQYAABKQCEQM-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CCCN(C[C@H]2CCOC2)CC1=O ZINC000349921704 355527336 /nfs/dbraw/zinc/52/73/36/355527336.db2.gz OFZUOGOCMIPCJK-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN CN1CCC[C@H]1CNC(=O)C1=CCOCC1 ZINC000335845819 355589514 /nfs/dbraw/zinc/58/95/14/355589514.db2.gz QSPWEJIYQBJOOP-NSHDSACASA-N 0 3 224.304 0.544 20 0 BCADHN CN1CC[C@](O)(CNC(=O)C2CC(C)(C)C2)C1 ZINC000335855224 355599671 /nfs/dbraw/zinc/59/96/71/355599671.db2.gz KMCSZXMSIVEAGL-ZDUSSCGKSA-N 0 3 240.347 0.605 20 0 BCADHN N=C(NO)[C@H]1CCCCN1CC(=O)N1CCC1 ZINC000364410583 181199541 /nfs/dbraw/zinc/19/95/41/181199541.db2.gz IRWYWZPDVQNMIJ-SECBINFHSA-N 0 3 240.307 0.029 20 0 BCADHN Cn1ncnc1CN[C@@H]1CCCN2CCCC[C@H]12 ZINC000639302337 355646759 /nfs/dbraw/zinc/64/67/59/355646759.db2.gz LVSLVJLWONVPME-VXGBXAGGSA-N 0 3 249.362 0.922 20 0 BCADHN CC(C)[C@@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC000583574422 355656520 /nfs/dbraw/zinc/65/65/20/355656520.db2.gz YJKINDIDGVDFHJ-NWDGAFQWSA-N 0 3 242.363 0.709 20 0 BCADHN C[C@H](N[C@H]1CCNC1=O)[C@H]1CC1(F)F ZINC000639304033 355658461 /nfs/dbraw/zinc/65/84/61/355658461.db2.gz VFVPRWBBFNIHNJ-XVMARJQXSA-N 0 3 204.220 0.508 20 0 BCADHN COCCCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000416442338 191746205 /nfs/dbraw/zinc/74/62/05/191746205.db2.gz XCMXLKBWLMLWKS-VHSXEESVSA-N 0 3 229.324 0.415 20 0 BCADHN Cn1cncc1CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000350312207 355668237 /nfs/dbraw/zinc/66/82/37/355668237.db2.gz ALGVBWMTWVOCKK-WDEREUQCSA-N 0 3 236.319 0.554 20 0 BCADHN Cn1cncc1CN[C@H]1CCCC[C@H]1C(N)=O ZINC000350312205 355668475 /nfs/dbraw/zinc/66/84/75/355668475.db2.gz ALGVBWMTWVOCKK-MNOVXSKESA-N 0 3 236.319 0.554 20 0 BCADHN CC(C)[C@H](C(=O)NCc1c[nH]cn1)N(C)C ZINC000350157905 355617563 /nfs/dbraw/zinc/61/75/63/355617563.db2.gz RXOHMTZXTXHFRI-SNVBAGLBSA-N 0 3 224.308 0.612 20 0 BCADHN CC[C@](C)(CN1CCN2C[C@H](O)C[C@H]2C1)OC ZINC000639299151 355624674 /nfs/dbraw/zinc/62/46/74/355624674.db2.gz IRTXRJRAIMZIPB-YNEHKIRRSA-N 0 3 242.363 0.552 20 0 BCADHN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1N ZINC000332010003 181204039 /nfs/dbraw/zinc/20/40/39/181204039.db2.gz SWEJELUFBPBDJW-BZNPZCIMSA-N 0 3 225.292 0.544 20 0 BCADHN CO[C@@]1(CN(C)Cc2cnc[nH]2)CCOC1 ZINC000639300596 355631971 /nfs/dbraw/zinc/63/19/71/355631971.db2.gz AWRAGAQLIZPPNM-LLVKDONJSA-N 0 3 225.292 0.647 20 0 BCADHN CO[C@]1(CN(C)Cc2cnc[nH]2)CCOC1 ZINC000639300597 355632129 /nfs/dbraw/zinc/63/21/29/355632129.db2.gz AWRAGAQLIZPPNM-NSHDSACASA-N 0 3 225.292 0.647 20 0 BCADHN CC(C)[C@H]1CN(CC(=O)N(C)C)CCN1C ZINC000335871505 355638050 /nfs/dbraw/zinc/63/80/50/355638050.db2.gz BMNMIVPNDKZEFJ-LLVKDONJSA-N 0 3 227.352 0.347 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccc(CN)o2)[C@H]1C ZINC000335894488 355688427 /nfs/dbraw/zinc/68/84/27/355688427.db2.gz JORDCQOUHKRTRC-BDAKNGLRSA-N 0 3 237.303 0.561 20 0 BCADHN C[C@@H]1CN(C(=O)C(N)C(F)(F)F)CCCO1 ZINC000336005315 134048893 /nfs/dbraw/zinc/04/88/93/134048893.db2.gz PDXBSBKNKRYZQY-RQJHMYQMSA-N 0 3 240.225 0.513 20 0 BCADHN CN1CCN(CCC[C@@H]2CCO2)CCC1=O ZINC000639321059 355722076 /nfs/dbraw/zinc/72/20/76/355722076.db2.gz MCZKXLPVBLZIBK-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN NC(=O)[C@H]1CCCC[C@@H]1NCC(=O)N1CCC1 ZINC000332474381 181204779 /nfs/dbraw/zinc/20/47/79/181204779.db2.gz NFVHYZZEOQSYSF-UWVGGRQHSA-N 0 3 239.319 0.902 20 0 BCADHN O=c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)c[nH]1 ZINC000639321795 355722352 /nfs/dbraw/zinc/72/23/52/355722352.db2.gz ORPOORNBRBIUQE-CMPLNLGQSA-N 0 3 220.272 0.744 20 0 BCADHN O=C(C[C@@H]1CCOC1)N1CCN2CCC[C@@H]2C1 ZINC000336009352 134050209 /nfs/dbraw/zinc/05/02/09/134050209.db2.gz KTSFAAAJFFJNAJ-NWDGAFQWSA-N 0 3 238.331 0.720 20 0 BCADHN NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1N ZINC000332010005 181205711 /nfs/dbraw/zinc/20/57/11/181205711.db2.gz SWEJELUFBPBDJW-RBXMUDONSA-N 0 3 225.292 0.544 20 0 BCADHN NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]1N ZINC000332010004 181205851 /nfs/dbraw/zinc/20/58/51/181205851.db2.gz SWEJELUFBPBDJW-MAUMQABQSA-N 0 3 225.292 0.544 20 0 BCADHN CNS(=O)(=O)CCN[C@@H]1CC[C@H]1SC ZINC000425338769 191810505 /nfs/dbraw/zinc/81/05/05/191810505.db2.gz QEPHLQPBJZEMJW-HTQZYQBOSA-N 0 3 238.378 0.019 20 0 BCADHN CN1CCN(C[C@@H]2CCSC2)[C@H](CO)C1 ZINC000639332995 355760354 /nfs/dbraw/zinc/76/03/54/355760354.db2.gz DZWFTEXLYXBSDZ-QWRGUYRKSA-N 0 3 230.377 0.348 20 0 BCADHN CC[C@H](C)[C@@H](CN1CCN(C)C[C@H]1CO)OC ZINC000639334566 355765392 /nfs/dbraw/zinc/76/53/92/355765392.db2.gz SQDRUNIKROFMDA-RWMBFGLXSA-N 0 3 244.379 0.656 20 0 BCADHN CN1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)[C@@H](CO)C1 ZINC000639334776 355765765 /nfs/dbraw/zinc/76/57/65/355765765.db2.gz WEWINDRJTZTHGM-YVECIDJPSA-N 0 3 224.348 0.641 20 0 BCADHN CS[C@H]1CC[C@@H]1NCC(=O)N(C)C ZINC000425356041 191822506 /nfs/dbraw/zinc/82/25/06/191822506.db2.gz PCAUOZOTGWFEMG-YUMQZZPRSA-N 0 3 202.323 0.558 20 0 BCADHN CN1CCN(CC[C@@H]2CCOC2)[C@@H](CO)C1 ZINC000639337208 355775684 /nfs/dbraw/zinc/77/56/84/355775684.db2.gz PWVDICDBRYLKRJ-VXGBXAGGSA-N 0 3 228.336 0.021 20 0 BCADHN CC[C@@H](C)CN1CCN(C)C[C@@H]1CO ZINC000639337805 355777673 /nfs/dbraw/zinc/77/76/73/355777673.db2.gz VBXGYWONZHDSNZ-GHMZBOCLSA-N 0 3 200.326 0.641 20 0 BCADHN Cn1cccc1CNC[C@H]1COCCN1C ZINC000623710620 355779940 /nfs/dbraw/zinc/77/99/40/355779940.db2.gz JCNZJEWYGVPMBH-LBPRGKRZSA-N 0 3 223.320 0.445 20 0 BCADHN C[C@@H](NCc1cn[nH]n1)[C@H]1CCCCO1 ZINC000639339727 355780744 /nfs/dbraw/zinc/78/07/44/355780744.db2.gz AVNNNBWXZQXQLW-PSASIEDQSA-N 0 3 210.281 0.852 20 0 BCADHN C[C@@H](NCc1c[nH]nn1)[C@H]1CCCCO1 ZINC000639339727 355780746 /nfs/dbraw/zinc/78/07/46/355780746.db2.gz AVNNNBWXZQXQLW-PSASIEDQSA-N 0 3 210.281 0.852 20 0 BCADHN C[C@H](NCc1cn[nH]n1)[C@H]1CCCCO1 ZINC000639339738 355781049 /nfs/dbraw/zinc/78/10/49/355781049.db2.gz AVNNNBWXZQXQLW-WCBMZHEXSA-N 0 3 210.281 0.852 20 0 BCADHN C[C@H](NCc1c[nH]nn1)[C@H]1CCCCO1 ZINC000639339738 355781053 /nfs/dbraw/zinc/78/10/53/355781053.db2.gz AVNNNBWXZQXQLW-WCBMZHEXSA-N 0 3 210.281 0.852 20 0 BCADHN C[C@H](C[C@@H]1CCCC(=O)N1)NCc1cn[nH]n1 ZINC000639340387 355781988 /nfs/dbraw/zinc/78/19/88/355781988.db2.gz DSHKFGUBHNUDMW-BDAKNGLRSA-N 0 3 237.307 0.342 20 0 BCADHN CCC[C@@H](CN(C)[C@]1(CO)CCOC1)OC ZINC000639341307 355782467 /nfs/dbraw/zinc/78/24/67/355782467.db2.gz LUDQUOVFSIHHIG-RYUDHWBXSA-N 0 3 231.336 0.885 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2ccc(CO)cc2)C1 ZINC000639341181 355782530 /nfs/dbraw/zinc/78/25/30/355782530.db2.gz PPOCPPWHVQNFRQ-CQSZACIVSA-N 0 3 248.326 0.889 20 0 BCADHN C[C@H](Cc1cnccn1)NCc1cn[nH]n1 ZINC000639341706 355783696 /nfs/dbraw/zinc/78/36/96/355783696.db2.gz PAGCQDLLWPAFRK-MRVPVSSYSA-N 0 3 218.264 0.316 20 0 BCADHN COc1cc(C[C@@H](C)NCc2cn[nH]n2)ccn1 ZINC000639342515 355784756 /nfs/dbraw/zinc/78/47/56/355784756.db2.gz WOGDMPKABJIJIV-SECBINFHSA-N 0 3 247.302 0.929 20 0 BCADHN CCn1nncc1CNCCC[C@@H]1CCO1 ZINC000639343075 355785874 /nfs/dbraw/zinc/78/58/74/355785874.db2.gz DPQNTQPSRIPZEB-LLVKDONJSA-N 0 3 224.308 0.957 20 0 BCADHN CCn1nncc1CNC[C@H](OC)C1CC1 ZINC000639344211 355787467 /nfs/dbraw/zinc/78/74/67/355787467.db2.gz WSGMCRPVURXKLZ-NSHDSACASA-N 0 3 224.308 0.813 20 0 BCADHN CC1(CN(CC(N)=O)C2CCCC2)COC1 ZINC000608498138 355824885 /nfs/dbraw/zinc/82/48/85/355824885.db2.gz BFRWMBIJNNZYIL-UHFFFAOYSA-N 0 3 226.320 0.753 20 0 BCADHN CC[C@](C)(CN(CCO)CCO)OC ZINC000639343856 355787641 /nfs/dbraw/zinc/78/76/41/355787641.db2.gz NJNVSJSHLXLTAG-SNVBAGLBSA-N 0 3 205.298 0.088 20 0 BCADHN COCCc1ncc(CN[C@H]2C[C@H](O)C2)s1 ZINC000631179357 355797793 /nfs/dbraw/zinc/79/77/93/355797793.db2.gz UMDOVCYBHAOUQW-KYZUINATSA-N 0 3 242.344 0.945 20 0 BCADHN CCC[C@@H](CN[C@@H]1CCS(=O)(=O)[C@@H]1C)OC ZINC000639353067 355802720 /nfs/dbraw/zinc/80/27/20/355802720.db2.gz WITXCOQHODRQCD-OUAUKWLOSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H](CO)CN(C)[C@H](C)C(=O)NC(C)(C)C ZINC000608498587 355827234 /nfs/dbraw/zinc/82/72/34/355827234.db2.gz WIGWFWFRDSXKGJ-NXEZZACHSA-N 0 3 230.352 0.850 20 0 BCADHN Cc1cc(CN[C@@H]2CCOC[C@H]2O)sn1 ZINC000639353653 355803541 /nfs/dbraw/zinc/80/35/41/355803541.db2.gz ABHRHICHKBPCTP-NXEZZACHSA-N 0 3 228.317 0.691 20 0 BCADHN COc1cc(CNCC2COC2)sn1 ZINC000639354025 355804104 /nfs/dbraw/zinc/80/41/04/355804104.db2.gz CLWVBTMWCJWTPI-UHFFFAOYSA-N 0 3 214.290 0.888 20 0 BCADHN C[C@@H]1C[C@@H](N[C@@H]2COC[C@@H]2O)CS1 ZINC000639363440 355820873 /nfs/dbraw/zinc/82/08/73/355820873.db2.gz PYRUQIAQSGVJRG-BGZDPUMWSA-N 0 3 203.307 0.230 20 0 BCADHN Cn1cnc2cc(CN(CCO)CCO)ccc21 ZINC000628369739 355876280 /nfs/dbraw/zinc/87/62/80/355876280.db2.gz WQDSICLRLQZJIG-UHFFFAOYSA-N 0 3 249.314 0.360 20 0 BCADHN C[C@@]12CN(CC3(F)CC3)C[C@@]1(C)C(=O)NC2=O ZINC000639365940 355841311 /nfs/dbraw/zinc/84/13/11/355841311.db2.gz SVMGMBOAIYSZQS-QWRGUYRKSA-N 0 3 240.278 0.473 20 0 BCADHN NC(=O)C1(NC2CCN(CC(F)F)CC2)CC1 ZINC000361580754 181214009 /nfs/dbraw/zinc/21/40/09/181214009.db2.gz COVQCCFUZMGTJT-UHFFFAOYSA-N 0 3 247.289 0.323 20 0 BCADHN C[C@H](CCn1cccn1)NCc1cn[nH]n1 ZINC000628363379 355847174 /nfs/dbraw/zinc/84/71/74/355847174.db2.gz HSBCLEAGWGHIEJ-SECBINFHSA-N 0 3 220.280 0.570 20 0 BCADHN NC(=O)C1(NCCn2ccnc2)CCCCC1 ZINC000132036462 181214277 /nfs/dbraw/zinc/21/42/77/181214277.db2.gz ANHSVJMTDKUOOB-UHFFFAOYSA-N 0 3 236.319 0.661 20 0 BCADHN CC(C)CC[C@H](O)CN1CC[C@@H](CO)[C@@H](O)C1 ZINC000583622557 355854288 /nfs/dbraw/zinc/85/42/88/355854288.db2.gz NVQFNUALBGPNED-AVGNSLFASA-N 0 3 245.363 0.459 20 0 BCADHN NC(=O)C1(NC[C@@H]2CCCO2)CCCCC1 ZINC000037942872 181214657 /nfs/dbraw/zinc/21/46/57/181214657.db2.gz FSIDUJAEEAUGFU-JTQLQIEISA-N 0 3 226.320 0.943 20 0 BCADHN NC(=O)C1(NC[C@H](O)C2CCCCC2)CC1 ZINC000336705871 181215015 /nfs/dbraw/zinc/21/50/15/181215015.db2.gz PPYXISZPOQUEGR-JTQLQIEISA-N 0 3 226.320 0.535 20 0 BCADHN NC(=O)C1(NC[C@H]2CCCO2)CCCCC1 ZINC000037942873 181215030 /nfs/dbraw/zinc/21/50/30/181215030.db2.gz FSIDUJAEEAUGFU-SNVBAGLBSA-N 0 3 226.320 0.943 20 0 BCADHN CN(Cc1ccc(O)cc1)[C@@]1(CO)CCOC1 ZINC000628367809 355862494 /nfs/dbraw/zinc/86/24/94/355862494.db2.gz UEKQRKMUZMVAEE-CYBMUJFWSA-N 0 3 237.299 0.975 20 0 BCADHN NC(=O)C1(NC[C@H](O)CC2CCCC2)CC1 ZINC000309553228 181215414 /nfs/dbraw/zinc/21/54/14/181215414.db2.gz GQNWTJXKVSANOZ-SNVBAGLBSA-N 0 3 226.320 0.535 20 0 BCADHN CC(C)[C@@H]1C[C@@H](N[C@@H]2COC[C@@H]2O)CS1 ZINC000639363974 355831648 /nfs/dbraw/zinc/83/16/48/355831648.db2.gz VODMLTFKISSOGF-ZNSHCXBVSA-N 0 3 231.361 0.866 20 0 BCADHN CC(C)[C@H]1C[C@@H](N[C@@H]2COC[C@@H]2O)CS1 ZINC000639363969 355831905 /nfs/dbraw/zinc/83/19/05/355831905.db2.gz VODMLTFKISSOGF-CHWFTXMASA-N 0 3 231.361 0.866 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@@H](O)C1(C)C ZINC000336036676 134060029 /nfs/dbraw/zinc/06/00/29/134060029.db2.gz NGEHQCPDGIUXOP-VHSXEESVSA-N 0 3 243.351 0.491 20 0 BCADHN C[C@H]1C(=O)NCCCN1C[C@@H]1CCOC1 ZINC000336052852 134065478 /nfs/dbraw/zinc/06/54/78/134065478.db2.gz ZYLKGYOMBXRPRI-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN COC[C@@H](OC)C(=O)NCC1=CCN(C)CC1 ZINC000613267722 355910842 /nfs/dbraw/zinc/91/08/42/355910842.db2.gz YIJZXRYLIFEHSW-LLVKDONJSA-N 0 3 242.319 0.026 20 0 BCADHN NC(=O)CC1(NCc2ccncc2)CCC1 ZINC000336690456 181218772 /nfs/dbraw/zinc/21/87/72/181218772.db2.gz WIGSPKCPHCGBKO-UHFFFAOYSA-N 0 3 219.288 0.969 20 0 BCADHN Cn1cc(CCCNC2(C)COC2)cn1 ZINC000639381069 355917983 /nfs/dbraw/zinc/91/79/83/355917983.db2.gz OMXSIINKOWQGFA-UHFFFAOYSA-N 0 3 209.293 0.731 20 0 BCADHN CO[C@H](CNC1(C)COC1)[C@H]1CCOC1 ZINC000639381126 355918034 /nfs/dbraw/zinc/91/80/34/355918034.db2.gz QBNUGTAUYUMAST-VHSXEESVSA-N 0 3 215.293 0.416 20 0 BCADHN CC(C)CS(=O)(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000336042243 134062383 /nfs/dbraw/zinc/06/23/83/134062383.db2.gz PUTKTPOGOGSHEN-MNOVXSKESA-N 0 3 248.392 0.854 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc(C)cc1O ZINC000583627670 355933325 /nfs/dbraw/zinc/93/33/25/355933325.db2.gz SJYOOORQFIXTSM-SNVBAGLBSA-N 0 3 224.260 0.613 20 0 BCADHN CC(C)[C@@H]1C[C@H](N(CCO)CCO)CS1 ZINC000628370079 355878754 /nfs/dbraw/zinc/87/87/54/355878754.db2.gz VNSLPVSCTAPMQD-QWRGUYRKSA-N 0 3 233.377 0.803 20 0 BCADHN CC(C)OC[C@H](C)N(CCO)CCO ZINC000628370200 355880592 /nfs/dbraw/zinc/88/05/92/355880592.db2.gz DFNHSWBLALTUGJ-JTQLQIEISA-N 0 3 205.298 0.087 20 0 BCADHN C[C@H](O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000336045579 134063347 /nfs/dbraw/zinc/06/33/47/134063347.db2.gz CJKBYTCAPDJUPY-VHSXEESVSA-N 0 3 228.336 0.604 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)Nc2cnns2)C1 ZINC000192339049 355983312 /nfs/dbraw/zinc/98/33/12/355983312.db2.gz JREHYLCYECVQDI-SSDOTTSWSA-N 0 3 241.320 0.706 20 0 BCADHN Cn1nnnc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000389363644 355983419 /nfs/dbraw/zinc/98/34/19/355983419.db2.gz RLCFPFSVBHPMBZ-HRDYMLBCSA-N 0 3 207.281 0.488 20 0 BCADHN CC(=O)NCC(=O)Nc1cccc2c1CNCC2 ZINC000167372038 355985891 /nfs/dbraw/zinc/98/58/91/355985891.db2.gz BNFYLTGKRNMALJ-UHFFFAOYSA-N 0 3 247.298 0.407 20 0 BCADHN CCOCCCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000167379903 355986935 /nfs/dbraw/zinc/98/69/35/355986935.db2.gz GGWCOQYTNWGSPT-QWRGUYRKSA-N 0 3 228.336 0.917 20 0 BCADHN CN1CC[C@@H]2CCN(C(=O)CC(C)(C)O)[C@@H]2C1 ZINC000336062226 134069229 /nfs/dbraw/zinc/06/92/29/134069229.db2.gz WEXOOPZBWKXFEM-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN NC(=O)[C@@H](Cc1ccccc1)N[C@@H]1CCOC1 ZINC000351449567 355993091 /nfs/dbraw/zinc/99/30/91/355993091.db2.gz ZHLRSXHVCMDFBV-VXGBXAGGSA-N 0 3 234.299 0.462 20 0 BCADHN Cc1csc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2N)n1 ZINC000070717084 355995057 /nfs/dbraw/zinc/99/50/57/355995057.db2.gz CULABBLMUCHUDR-PRJMDXOYSA-N 0 3 225.317 0.976 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCc2cncn2C)C1 ZINC000583640404 355946038 /nfs/dbraw/zinc/94/60/38/355946038.db2.gz JUHAQBUAOIMUNJ-SNVBAGLBSA-N 0 3 236.319 0.378 20 0 BCADHN CCN(CC(=O)N1CCN(CC)CC1)C1CC1 ZINC000351497656 356003956 /nfs/dbraw/zinc/00/39/56/356003956.db2.gz FJEQCPLEXJJWEU-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000583641607 355947272 /nfs/dbraw/zinc/94/72/72/355947272.db2.gz VWPNAROTWVFBQE-WCBMZHEXSA-N 0 3 222.292 0.681 20 0 BCADHN COC(=O)c1ccc(CNC[C@H](O)C(C)C)[nH]1 ZINC000167065857 355953381 /nfs/dbraw/zinc/95/33/81/355953381.db2.gz BHAFZPUFHFDNLW-NSHDSACASA-N 0 3 240.303 0.908 20 0 BCADHN C[C@H](CO)[C@H](C)N[C@@H](C)C(=O)N1CCCCC1 ZINC000167114073 355958692 /nfs/dbraw/zinc/95/86/92/355958692.db2.gz CNDDRKZBCGDKIA-WOPDTQHZSA-N 0 3 242.363 0.994 20 0 BCADHN COCc1nc(C(=O)N[C@@H](C)CN(C)C)co1 ZINC000583649245 355959963 /nfs/dbraw/zinc/95/99/63/355959963.db2.gz BBVMFNGFAKPMHQ-QMMMGPOBSA-N 0 3 241.291 0.501 20 0 BCADHN CCN(C)C(=O)CCN1CCc2n[nH]nc2C1 ZINC000351642691 356040970 /nfs/dbraw/zinc/04/09/70/356040970.db2.gz FZUPWSPKFVEENV-UHFFFAOYSA-N 0 3 237.307 0.031 20 0 BCADHN NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000309563428 181236371 /nfs/dbraw/zinc/23/63/71/181236371.db2.gz KAWKYNWKBRNOEG-FBIMIBRVSA-N 0 3 224.304 0.409 20 0 BCADHN Cc1cc(CN(C)C2(CO)CCOCC2)on1 ZINC000351646292 356042956 /nfs/dbraw/zinc/04/29/56/356042956.db2.gz GFEWOBJQXJKNIM-UHFFFAOYSA-N 0 3 240.303 0.956 20 0 BCADHN NC(=O)CN[C@H]1CCCC[C@@H]1n1cccn1 ZINC000128944510 181236971 /nfs/dbraw/zinc/23/69/71/181236971.db2.gz CFYCWJORKGGYGB-UWVGGRQHSA-N 0 3 222.292 0.442 20 0 BCADHN CCn1nncc1CN(C)[C@H]1CN2CCC1CC2 ZINC000639393109 356064805 /nfs/dbraw/zinc/06/48/05/356064805.db2.gz RWVABGASODTHSV-ZDUSSCGKSA-N 0 3 249.362 0.824 20 0 BCADHN c1cc(N2CC(NCCC[C@H]3CCO3)C2)ncn1 ZINC000639390192 356021416 /nfs/dbraw/zinc/02/14/16/356021416.db2.gz ADYRPLYRBBXAQN-LBPRGKRZSA-N 0 3 248.330 0.824 20 0 BCADHN COC1CC(NC2CN(c3ccncn3)C2)C1 ZINC000639391093 356026240 /nfs/dbraw/zinc/02/62/40/356026240.db2.gz VSCLMJQADRPVGL-UHFFFAOYSA-N 0 3 234.303 0.432 20 0 BCADHN COC[C@H](C)CNC1CN(c2ccncn2)C1 ZINC000639391097 356026459 /nfs/dbraw/zinc/02/64/59/356026459.db2.gz VSXOCGAGQDDPLG-SNVBAGLBSA-N 0 3 236.319 0.537 20 0 BCADHN COC[C@@H](C)CNC1CN(c2ccncn2)C1 ZINC000639391096 356026640 /nfs/dbraw/zinc/02/66/40/356026640.db2.gz VSXOCGAGQDDPLG-JTQLQIEISA-N 0 3 236.319 0.537 20 0 BCADHN CCN(C(=O)CC(C)(C)O)[C@@H]1CCN(C)C1 ZINC000617551093 356106703 /nfs/dbraw/zinc/10/67/03/356106703.db2.gz LBEFMLAHSZLJEY-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN CCN(C(=O)[C@H](O)C1CC1)[C@H]1CCN(C)C1 ZINC000617551029 356106878 /nfs/dbraw/zinc/10/68/78/356106878.db2.gz JMZYTZSQNVNJAR-WDEREUQCSA-N 0 3 226.320 0.310 20 0 BCADHN CN(C[C@@H]1CCCC[C@H]1O)[C@@]1(CO)CCOC1 ZINC000584353850 356112064 /nfs/dbraw/zinc/11/20/64/356112064.db2.gz RVBRBIWBCDUEQQ-YNEHKIRRSA-N 0 3 243.347 0.621 20 0 BCADHN CCN(C(=O)[C@H]1CCCOC1)[C@H]1CCN(C)C1 ZINC000617556541 356112978 /nfs/dbraw/zinc/11/29/78/356112978.db2.gz SILFFRANLITUDA-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(C(=O)c1ccnc(C)n1)[C@H]1CCN(C)C1 ZINC000617557153 356114037 /nfs/dbraw/zinc/11/40/37/356114037.db2.gz FZVMMWQURCCNSZ-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CCN(C(=O)c1cn[nH]c1)[C@H]1CCN(C)C1 ZINC000617557016 356114383 /nfs/dbraw/zinc/11/43/83/356114383.db2.gz BWXOURMSZNYFSI-JTQLQIEISA-N 0 3 222.292 0.576 20 0 BCADHN CCO[C@@H](C)C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000617557692 356115468 /nfs/dbraw/zinc/11/54/68/356115468.db2.gz QODVEHNNLODUPL-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CCN(C(=O)[C@@H](COC)OC)[C@H]1CCN(C)C1 ZINC000617561736 356117570 /nfs/dbraw/zinc/11/75/70/356117570.db2.gz SDRMUSRPEDAHMY-WDEREUQCSA-N 0 3 244.335 0.200 20 0 BCADHN CCN(C(=O)[C@@H](O)C1CCC1)[C@H]1CCN(C)C1 ZINC000617561025 356121193 /nfs/dbraw/zinc/12/11/93/356121193.db2.gz CHHVHYYYEJZSGZ-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN CCN(C(=O)c1ncc[nH]1)[C@H]1CCN(C)C1 ZINC000617560946 356121442 /nfs/dbraw/zinc/12/14/42/356121442.db2.gz ANCDHIDXPTUZMI-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN O=C1C[C@@H](N[C@H]2CCCn3nccc32)CCCN1 ZINC000639399329 356124282 /nfs/dbraw/zinc/12/42/82/356124282.db2.gz UHTFQJNASCFXBU-QWRGUYRKSA-N 0 3 248.330 0.976 20 0 BCADHN CNS(=O)(=O)N(C)C1CCN(C(C)C)CC1 ZINC000351708376 356065963 /nfs/dbraw/zinc/06/59/63/356065963.db2.gz ZQUYVYYMGJYSOG-UHFFFAOYSA-N 0 3 249.380 0.255 20 0 BCADHN NC(=O)C[C@H](NCCF)C1CCOCC1 ZINC000308939185 181245071 /nfs/dbraw/zinc/24/50/71/181245071.db2.gz PKRVUMNHAQKRDN-VIFPVBQESA-N 0 3 218.272 0.216 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)CCCCO)N(C)C ZINC000351742565 356078432 /nfs/dbraw/zinc/07/84/32/356078432.db2.gz GILRZRYSOAMISJ-NSHDSACASA-N 0 3 230.352 0.804 20 0 BCADHN CC(C)[C@H](C(=O)N(C)CCCCO)N(C)C ZINC000351742564 356078555 /nfs/dbraw/zinc/07/85/55/356078555.db2.gz GILRZRYSOAMISJ-LLVKDONJSA-N 0 3 230.352 0.804 20 0 BCADHN CCN(CC)CC(=O)N(C)Cc1cc[nH]n1 ZINC000351746574 356079513 /nfs/dbraw/zinc/07/95/13/356079513.db2.gz ZQDMWWAYMNBOEL-UHFFFAOYSA-N 0 3 224.308 0.710 20 0 BCADHN CN(CCCCO)C(=O)[C@@H]1CCCN1C ZINC000351789249 356086741 /nfs/dbraw/zinc/08/67/41/356086741.db2.gz KPAIDHJAEOYPFT-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN CN(CCCO)C(=O)[C@H]1CCCN1C1CC1 ZINC000351838718 356094022 /nfs/dbraw/zinc/09/40/22/356094022.db2.gz ZVDXDAUIBWCRKP-LLVKDONJSA-N 0 3 226.320 0.454 20 0 BCADHN CN(CCCO)C(=O)[C@@H]1CCCN1C1CC1 ZINC000351838719 356094432 /nfs/dbraw/zinc/09/44/32/356094432.db2.gz ZVDXDAUIBWCRKP-NSHDSACASA-N 0 3 226.320 0.454 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC1CCOCC1 ZINC000351842036 356095174 /nfs/dbraw/zinc/09/51/74/356095174.db2.gz HYDBMJAXUSCWCZ-SECBINFHSA-N 0 3 229.324 0.415 20 0 BCADHN CN(Cc1cn(C)nn1)[C@H]1CN2CCC1CC2 ZINC000639396262 356097311 /nfs/dbraw/zinc/09/73/11/356097311.db2.gz IUAXSTPVYASAKV-LBPRGKRZSA-N 0 3 235.335 0.341 20 0 BCADHN OC[C@H]1CSCCN1CC1=CCCOC1 ZINC000639396527 356101940 /nfs/dbraw/zinc/10/19/40/356101940.db2.gz CKUXXQOYDOVTRL-NSHDSACASA-N 0 3 229.345 0.743 20 0 BCADHN CNC(=O)[C@H]1CCCN1CCCCF ZINC000351889790 356153005 /nfs/dbraw/zinc/15/30/05/356153005.db2.gz CJZJPFPOEKTTNX-SECBINFHSA-N 0 3 202.273 0.947 20 0 BCADHN CC[C@@H]1C[C@H]1CNC(=O)NCCNCCOC ZINC000418239055 192003096 /nfs/dbraw/zinc/00/30/96/192003096.db2.gz GNNFIIZGCCCUDI-MNOVXSKESA-N 0 3 243.351 0.568 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000351889836 356153390 /nfs/dbraw/zinc/15/33/90/356153390.db2.gz CPJVDNHIQLLHBB-NXEZZACHSA-N 0 3 214.309 0.167 20 0 BCADHN O=C([C@H]1CCCN1C1CC1)N1CCOCC1 ZINC000336091221 134078600 /nfs/dbraw/zinc/07/86/00/134078600.db2.gz WUMOPRINISJENT-LLVKDONJSA-N 0 3 224.304 0.472 20 0 BCADHN NC(=O)NC(=O)CN[C@H]1CCC12CCCC2 ZINC000336255070 181255503 /nfs/dbraw/zinc/25/55/03/181255503.db2.gz RIAVALSEEAVBEV-QMMMGPOBSA-N 0 3 225.292 0.494 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@@H]1COCCN1C ZINC000623710717 356134874 /nfs/dbraw/zinc/13/48/74/356134874.db2.gz LLKMUUPLQJDNDX-LLVKDONJSA-N 0 3 238.335 0.447 20 0 BCADHN CC(C)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000335914220 356148695 /nfs/dbraw/zinc/14/86/95/356148695.db2.gz HUOPHFNXFLEKIQ-SECBINFHSA-N 0 3 220.338 0.395 20 0 BCADHN NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000355950652 181259448 /nfs/dbraw/zinc/25/94/48/181259448.db2.gz FKTNLSYHIDCTGY-ZDUSSCGKSA-N 0 3 249.314 0.292 20 0 BCADHN CCCCN(CC(N)=O)C[C@H]1CCO[C@@H]1C ZINC000639452399 356232787 /nfs/dbraw/zinc/23/27/87/356232787.db2.gz AZLQRMSTLZJNAF-GHMZBOCLSA-N 0 3 228.336 0.999 20 0 BCADHN CCN(C[C@@H](C)O)C(=O)NC[C@H]1CCCN1C ZINC000351908259 356182711 /nfs/dbraw/zinc/18/27/11/356182711.db2.gz LBMRELLHSKDGQR-GHMZBOCLSA-N 0 3 243.351 0.493 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@@H]1CCO[C@@H]1C ZINC000639450143 356233760 /nfs/dbraw/zinc/23/37/60/356233760.db2.gz HSZOTQNRJOPYED-MNOVXSKESA-N 0 3 228.336 0.855 20 0 BCADHN CNC(=O)CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000336110244 134086447 /nfs/dbraw/zinc/08/64/47/134086447.db2.gz BOGFETXDCAMBLR-VHSXEESVSA-N 0 3 212.293 0.091 20 0 BCADHN C[C@H](C(=O)NC/C=C/CO)N1[C@H](C)CC[C@@H]1C ZINC000617689764 356281311 /nfs/dbraw/zinc/28/13/11/356281311.db2.gz QDIPQPXAVUAXGG-HCSCIRHASA-N 0 3 240.347 0.912 20 0 BCADHN CC(C)c1noc(N2CCNC[C@H]2C)n1 ZINC000420217077 192193080 /nfs/dbraw/zinc/19/30/80/192193080.db2.gz IAFYCUULQPWHCH-MRVPVSSYSA-N 0 3 210.281 0.991 20 0 BCADHN C[C@@H]1CC[C@H](C(N)=O)CN1CCc1cnccn1 ZINC000639473291 356266085 /nfs/dbraw/zinc/26/60/85/356266085.db2.gz ALVXMPSTPCGXEG-MNOVXSKESA-N 0 3 248.330 0.605 20 0 BCADHN CC1CCN(CC(=O)NC/C=C\CO)CC1 ZINC000617687245 356276592 /nfs/dbraw/zinc/27/65/92/356276592.db2.gz ZNQKZTZWNCAAKG-IHWYPQMZSA-N 0 3 226.320 0.383 20 0 BCADHN O=C(NC/C=C\CO)[C@H]1CCCN1C1CC1 ZINC000617684394 356282483 /nfs/dbraw/zinc/28/24/83/356282483.db2.gz VQGOVNOTPJCMQG-RFMOXSJOSA-N 0 3 224.304 0.278 20 0 BCADHN Cc1cc(N2CCNC[C@@](C)(F)C2)ncn1 ZINC000420255436 192188170 /nfs/dbraw/zinc/18/81/70/192188170.db2.gz BGAQYMIQEJZYAW-LLVKDONJSA-N 0 3 224.283 0.923 20 0 BCADHN NC(=O)N[C@H]1CCN([C@@H]2C=CCCC2)C1 ZINC000270628701 181261387 /nfs/dbraw/zinc/26/13/87/181261387.db2.gz LFHJBPBZXPUWSV-VHSXEESVSA-N 0 3 209.293 0.838 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccn(C)n1 ZINC000336122629 134092151 /nfs/dbraw/zinc/09/21/51/134092151.db2.gz SQXKMXHVFIUHOB-WDEREUQCSA-N 0 3 222.336 0.945 20 0 BCADHN CCOC(=O)CN1CCNC[C@@H]1c1cccnc1 ZINC000420320194 192195608 /nfs/dbraw/zinc/19/56/08/192195608.db2.gz YMXSCCTUXGASJY-GFCCVEGCSA-N 0 3 249.314 0.591 20 0 BCADHN CC(C)[C@@H]1C(=O)NCCN1C[C@@H]1CCO[C@@H]1C ZINC000639483373 356298042 /nfs/dbraw/zinc/29/80/42/356298042.db2.gz TTXNGAPNGDXVPQ-GRYCIOLGSA-N 0 3 240.347 0.868 20 0 BCADHN Cc1n[nH]c(C(=O)N[C@H]2Cc3cncn3C2)c1C ZINC000623265643 356299150 /nfs/dbraw/zinc/29/91/50/356299150.db2.gz KMNKMOLKXWBXNW-VIFPVBQESA-N 0 3 245.286 0.578 20 0 BCADHN CCN1C(=O)C(C)(C)N[C@H]1c1nc[nH]c1C ZINC000333949741 356328118 /nfs/dbraw/zinc/32/81/18/356328118.db2.gz XMYZTSKBOFQSNJ-SECBINFHSA-N 0 3 222.292 0.947 20 0 BCADHN CC(=O)CCC(=O)NCC[C@@H](C)N(C)C ZINC000617745919 356308499 /nfs/dbraw/zinc/30/84/99/356308499.db2.gz YMSVMEFLEONFJN-SECBINFHSA-N 0 3 214.309 0.812 20 0 BCADHN CC(=O)c1ccc(NC[C@H]2CNCCN2C)nc1 ZINC000420281362 192200418 /nfs/dbraw/zinc/20/04/18/192200418.db2.gz VTTWZPBPQMBRQR-GFCCVEGCSA-N 0 3 248.330 0.600 20 0 BCADHN CCCC[C@H](C)N(C)CC(=O)NC(=O)NC ZINC000352391095 356335908 /nfs/dbraw/zinc/33/59/08/356335908.db2.gz JGCGLQTTYQDNAD-VIFPVBQESA-N 0 3 229.324 0.953 20 0 BCADHN C[C@@]1(F)CNCCN(CC(=O)NCC2CC2)C1 ZINC000420330036 192214793 /nfs/dbraw/zinc/21/47/93/192214793.db2.gz LCGSTVQDFZYZPE-GFCCVEGCSA-N 0 3 243.326 0.146 20 0 BCADHN O[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@@H]1O ZINC000639509243 356338166 /nfs/dbraw/zinc/33/81/66/356338166.db2.gz ZSXYAVOIQYGXBX-OKILXGFUSA-N 0 3 249.310 0.297 20 0 BCADHN COC(=O)CCCN1CCNC[C@](C)(F)C1 ZINC000420345188 192215725 /nfs/dbraw/zinc/21/57/25/192215725.db2.gz ZHLZFKWEBRJMMN-NSHDSACASA-N 0 3 232.299 0.573 20 0 BCADHN CCOC(=O)[C@@H](C)N1CCNC[C@](C)(F)C1 ZINC000420337634 192216316 /nfs/dbraw/zinc/21/63/16/192216316.db2.gz RGAMZXNGNQGIPL-KOLCDFICSA-N 0 3 232.299 0.571 20 0 BCADHN C[C@@]1(O)CCN([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000639510433 356343414 /nfs/dbraw/zinc/34/34/14/356343414.db2.gz DIMODMWIMSYMIM-DGCLKSJQSA-N 0 3 238.331 0.597 20 0 BCADHN CC1(CN2CC[C@H](S(N)(=O)=O)C2)CCC1 ZINC000336137945 134096631 /nfs/dbraw/zinc/09/66/31/134096631.db2.gz YSOWSZLYOZJLKC-VIFPVBQESA-N 0 3 232.349 0.539 20 0 BCADHN CN(CCc1cnccn1)C[C@H](O)C1CC1 ZINC000639514530 356355044 /nfs/dbraw/zinc/35/50/44/356355044.db2.gz LDNOAVXIMYOBKN-LBPRGKRZSA-N 0 3 221.304 0.722 20 0 BCADHN COC[C@](C)(CCO)NCCc1cnccn1 ZINC000639514836 356355389 /nfs/dbraw/zinc/35/53/89/356355389.db2.gz TZJPQYQBVOHGON-LBPRGKRZSA-N 0 3 239.319 0.396 20 0 BCADHN NC(=O)[C@@H]1CCCCN1CCCn1ccnc1 ZINC000182671985 181267751 /nfs/dbraw/zinc/26/77/51/181267751.db2.gz RHUNWIFDVSWFAU-NSHDSACASA-N 0 3 236.319 0.613 20 0 BCADHN CN1CCC(O)(CNCc2nccs2)CC1 ZINC000390403465 356361726 /nfs/dbraw/zinc/36/17/26/356361726.db2.gz ASHJLUSNZHLEBG-UHFFFAOYSA-N 0 3 241.360 0.689 20 0 BCADHN COC1CC(N(C)CCN2CCOC[C@@H]2C)C1 ZINC000352195517 134098869 /nfs/dbraw/zinc/09/88/69/134098869.db2.gz RHGWCFBBMLOQTH-HIFPTAJRSA-N 0 3 242.363 0.816 20 0 BCADHN NC(=O)[C@@H]1CCCN1CCN1CCCCC1 ZINC000355747722 181269557 /nfs/dbraw/zinc/26/95/57/181269557.db2.gz SHHRHVRVMHFUME-NSHDSACASA-N 0 3 225.336 0.422 20 0 BCADHN NC(=O)[C@@H]1CCN(Cc2cccc3nccn32)C1 ZINC000183449178 181270472 /nfs/dbraw/zinc/27/04/72/181270472.db2.gz WGMMEJIEIYJACU-SNVBAGLBSA-N 0 3 244.298 0.642 20 0 BCADHN NC(=O)[C@@H]1CCN(Cc2cccnc2)C1 ZINC000124926171 181271053 /nfs/dbraw/zinc/27/10/53/181271053.db2.gz NHYSIGNDDDHWJW-SNVBAGLBSA-N 0 3 205.261 0.389 20 0 BCADHN CC(C)(C)[C@H](NCc1cc[nH]c(=O)c1)C(N)=O ZINC000639535260 356387409 /nfs/dbraw/zinc/38/74/09/356387409.db2.gz FDYGPKRBRLWPBA-SNVBAGLBSA-N 0 3 237.303 0.777 20 0 BCADHN CCN1CCN(C[C@@H](O)COC(C)C)[C@H](C)C1 ZINC000352661672 356399167 /nfs/dbraw/zinc/39/91/67/356399167.db2.gz YIHJXPUWEOXMTR-CHWSQXEVSA-N 0 3 244.379 0.798 20 0 BCADHN CCN1CCN(C[C@H]2CCc3ncnn32)C[C@@H]1C ZINC000639546741 356410066 /nfs/dbraw/zinc/41/00/66/356410066.db2.gz KQHXZUOEIMTNPG-NWDGAFQWSA-N 0 3 249.362 0.791 20 0 BCADHN C[C@@H]1OCC[C@H]1CN(C)[C@@H]1CCNC1=O ZINC000639547728 356411761 /nfs/dbraw/zinc/41/17/61/356411761.db2.gz BRZXJMQUWKIBOS-LPEHRKFASA-N 0 3 212.293 0.232 20 0 BCADHN CN(C)C[C@H]1CCCN1c1nccn2nnnc12 ZINC000532422024 356420161 /nfs/dbraw/zinc/42/01/61/356420161.db2.gz SATDQDDJMUEMPE-SECBINFHSA-N 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/nfs/dbraw/zinc/59/27/68/356592768.db2.gz MRGUJMMFYZQCQE-UHFFFAOYSA-N 0 3 248.330 0.340 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCC[C@@H]1C(N)=O ZINC000639662466 356576426 /nfs/dbraw/zinc/57/64/26/356576426.db2.gz DGYVWHRRAFIICM-IVZWLZJFSA-N 0 3 212.293 0.361 20 0 BCADHN c1nc2n(n1)[C@@H](CN1C[C@@H]3C[C@H]1CS3)CC2 ZINC000639670634 356586668 /nfs/dbraw/zinc/58/66/68/356586668.db2.gz DIUXNUVVBXRVRI-UTLUCORTSA-N 0 3 236.344 0.955 20 0 BCADHN CC(C)N1CCC[C@H](NC(=O)[C@H](O)C2CC2)C1 ZINC000613578356 363521489 /nfs/dbraw/zinc/52/14/89/363521489.db2.gz BGTWGLLJFNEWEC-NWDGAFQWSA-N 0 3 240.347 0.746 20 0 BCADHN C/C=C/CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000627220552 363518393 /nfs/dbraw/zinc/51/83/93/363518393.db2.gz CWJNZZGACPDITJ-NUNSBDKSSA-N 0 3 211.309 0.954 20 0 BCADHN C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C[C@@H]1CCOC1 ZINC000639688921 356597283 /nfs/dbraw/zinc/59/72/83/356597283.db2.gz UBBFDHSGVNHQRV-KXNHARMFSA-N 0 3 240.347 0.962 20 0 BCADHN C[C@@H]1[C@H](C)N(C[C@@H]2CCOC2)[C@@H](C)C(=O)N1C ZINC000639688924 356597663 /nfs/dbraw/zinc/59/76/63/356597663.db2.gz UBBFDHSGVNHQRV-RHYQMDGZSA-N 0 3 240.347 0.962 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NCCCS(C)(=O)=O ZINC000163345623 538458730 /nfs/dbraw/zinc/45/87/30/538458730.db2.gz HQHOZIYASJRDSR-RKDXNWHRSA-N 0 3 235.349 0.170 20 0 BCADHN CN(C(=O)CO)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000450174485 202089983 /nfs/dbraw/zinc/08/99/83/202089983.db2.gz MSDWYAPJHVSFLV-CYBMUJFWSA-N 0 3 248.326 0.712 20 0 BCADHN CCN1[C@H](C)CN(C[C@@H]2COCCO2)C[C@@H]1C ZINC000639743087 356634888 /nfs/dbraw/zinc/63/48/88/356634888.db2.gz ZYIKEBQRTZOUOO-FRRDWIJNSA-N 0 3 242.363 0.816 20 0 BCADHN C[C@@H](CCO)N(C)CCc1cnccn1 ZINC000639723254 356619276 /nfs/dbraw/zinc/61/92/76/356619276.db2.gz FANDJNIGBXXMNE-JTQLQIEISA-N 0 3 209.293 0.722 20 0 BCADHN CC[C@@H](C)CN1CCN(c2nc[nH]n2)CC1 ZINC000639730573 356624186 /nfs/dbraw/zinc/62/41/86/356624186.db2.gz LMDKIFOLFBTDQD-SNVBAGLBSA-N 0 3 223.324 0.973 20 0 BCADHN c1nc(N2CCN(C3CCCC3)CC2)n[nH]1 ZINC000639732517 356626144 /nfs/dbraw/zinc/62/61/44/356626144.db2.gz DUVYIDZHOSBILS-UHFFFAOYSA-N 0 3 221.308 0.869 20 0 BCADHN CN(C)CCOCCNC(=O)Cc1ccco1 ZINC000346009051 538466241 /nfs/dbraw/zinc/46/62/41/538466241.db2.gz OYIBOUMHGNHXHZ-UHFFFAOYSA-N 0 3 240.303 0.517 20 0 BCADHN CN1CCN(CCO)C[C@@H]1C(C)(C)C ZINC000639751271 356643148 /nfs/dbraw/zinc/64/31/48/356643148.db2.gz ZMQTZPQSTTZHHV-SNVBAGLBSA-N 0 3 200.326 0.641 20 0 BCADHN COCC[C@@H](C)N1CCO[C@]2(CCOC2)C1 ZINC000346148988 538479988 /nfs/dbraw/zinc/47/99/88/538479988.db2.gz JVECHHUWTIABOS-VXGBXAGGSA-N 0 3 229.320 0.903 20 0 BCADHN O[C@@H]1CCN(CCNCc2ccsc2)C1 ZINC000623756657 356651231 /nfs/dbraw/zinc/65/12/31/356651231.db2.gz BWQNMTHVRZMHSF-LLVKDONJSA-N 0 3 226.345 0.904 20 0 BCADHN CCCN1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613633387 363549526 /nfs/dbraw/zinc/54/95/26/363549526.db2.gz BVRAMYLIDKQIQW-VIFPVBQESA-N 0 3 220.338 0.410 20 0 BCADHN CCc1cc(N2CCO[C@@H](C(N)=O)C2)ccn1 ZINC000450294641 202121604 /nfs/dbraw/zinc/12/16/04/202121604.db2.gz PWCVZOCPXOXODM-LLVKDONJSA-N 0 3 235.287 0.335 20 0 BCADHN CCN(C[C@H]1CCCO1)C[C@](C)(O)C(C)=O ZINC000450323609 202128315 /nfs/dbraw/zinc/12/83/15/202128315.db2.gz JEGIILFDVQAIQP-NEPJUHHUSA-N 0 3 229.320 0.827 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1CCCn2nccc21 ZINC000632885004 356672967 /nfs/dbraw/zinc/67/29/67/356672967.db2.gz UBBZGUJTVPQYMT-SNVBAGLBSA-N 0 3 236.319 0.832 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H](C)Cn1cccn1 ZINC000450373556 202143711 /nfs/dbraw/zinc/14/37/11/202143711.db2.gz AMKOLORGRVTRTC-GARJFASQSA-N 0 3 225.292 0.275 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H](C)N1CCCCC1=O ZINC000578142652 366321070 /nfs/dbraw/zinc/32/10/70/366321070.db2.gz QVHRTCOXGCVYLN-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@H](O)CN(CC(N)=O)C1CCCC1 ZINC000303996782 356667861 /nfs/dbraw/zinc/66/78/61/356667861.db2.gz PJICSFUBGOVRKW-JTQLQIEISA-N 0 3 214.309 0.487 20 0 BCADHN CCC[C@@H](O)CN1CCN(CCOC)[C@H](C)C1 ZINC000450365660 202144582 /nfs/dbraw/zinc/14/45/82/202144582.db2.gz RCOUWEMXMHDVNM-CHWSQXEVSA-N 0 3 244.379 0.800 20 0 BCADHN COCCN(C)CCNC(=O)NC(C)(C)CF ZINC000353077981 134160309 /nfs/dbraw/zinc/16/03/09/134160309.db2.gz GCOLFGXOBZGHQR-UHFFFAOYSA-N 0 3 249.330 0.612 20 0 BCADHN Cc1cc(CN[C@H]2C[C@H](O)C2(C)C)n(C)n1 ZINC000168227745 134160877 /nfs/dbraw/zinc/16/08/77/134160877.db2.gz QQOHDMRNRXLTIU-QWRGUYRKSA-N 0 3 223.320 0.978 20 0 BCADHN Cc1cnc2cc(C(=O)NCCN(C)C)ccn12 ZINC000582249538 356682854 /nfs/dbraw/zinc/68/28/54/356682854.db2.gz QCOFYYKKRXARHW-UHFFFAOYSA-N 0 3 246.314 0.934 20 0 BCADHN CCN1CC[C@H](NCc2cc(C)nn2C)C1 ZINC000389474926 356685104 /nfs/dbraw/zinc/68/51/04/356685104.db2.gz VVSKYANUPZVTFI-NSHDSACASA-N 0 3 222.336 0.912 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)CNC(C)=O ZINC000111636013 356698631 /nfs/dbraw/zinc/69/86/31/356698631.db2.gz GQJIHHWVJMGQKB-LLVKDONJSA-N 0 3 241.335 0.113 20 0 BCADHN Cn1nncc1CN[C@H]1CCCC[C@@H]1O ZINC000129763776 356699002 /nfs/dbraw/zinc/69/90/02/356699002.db2.gz FMPVQTHWGULLIE-UWVGGRQHSA-N 0 3 210.281 0.208 20 0 BCADHN C[C@H](NC(=O)C[C@H](N)c1ccccc1)C(N)=O ZINC000035795276 356705709 /nfs/dbraw/zinc/70/57/09/356705709.db2.gz FZKUPKQJMICZCO-WPRPVWTQSA-N 0 3 235.287 0.067 20 0 BCADHN CCN1CCC(NC(=O)C2=CCOCC2)CC1 ZINC000353790241 356719707 /nfs/dbraw/zinc/71/97/07/356719707.db2.gz IBKKZPHDKHHLMI-UHFFFAOYSA-N 0 3 238.331 0.934 20 0 BCADHN COC(=O)C1(CN(C)[C@@H]2CCN(C)C2=O)CC1 ZINC000450427629 202163457 /nfs/dbraw/zinc/16/34/57/202163457.db2.gz SWMHXQANTAEHNA-SECBINFHSA-N 0 3 240.303 0.102 20 0 BCADHN Cc1ccc(CN2[C@@H](CO)CC[C@@H]2CO)nc1 ZINC000639782968 356732824 /nfs/dbraw/zinc/73/28/24/356732824.db2.gz XIRRLQSOTBGPLR-CHWSQXEVSA-N 0 3 236.315 0.708 20 0 BCADHN OC[C@@H]1CC[C@@H](CO)N1CCc1cncs1 ZINC000639783293 356733519 /nfs/dbraw/zinc/73/35/19/356733519.db2.gz LHJXWXUKWDRFGR-UWVGGRQHSA-N 0 3 242.344 0.503 20 0 BCADHN C[C@@H]1CC[C@H](C(=O)NCCOCCN(C)C)O1 ZINC000450444334 202168596 /nfs/dbraw/zinc/16/85/96/202168596.db2.gz XCNHDDJLXAIWJS-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN CNCC(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000193134652 356712526 /nfs/dbraw/zinc/71/25/26/356712526.db2.gz KLGQRLDDSJBNGE-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN CNCC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000193137819 356714098 /nfs/dbraw/zinc/71/40/98/356714098.db2.gz QKAKNMDADCLCDL-SNVBAGLBSA-N 0 3 216.325 0.365 20 0 BCADHN CNC(=O)CCN1CCC=C(c2cnn(C)c2)C1 ZINC000639792834 356746522 /nfs/dbraw/zinc/74/65/22/356746522.db2.gz CJBLNLWPKILYJL-UHFFFAOYSA-N 0 3 248.330 0.645 20 0 BCADHN CCc1nnc(CN2CCN(C)[C@@H](C)[C@H]2C)[nH]1 ZINC000355045586 356748352 /nfs/dbraw/zinc/74/83/52/356748352.db2.gz ACZOCNXUGLZEPH-VHSXEESVSA-N 0 3 237.351 0.892 20 0 BCADHN CCc1nc(CN2CCN(C)[C@@H](C)[C@H]2C)n[nH]1 ZINC000355045586 356748356 /nfs/dbraw/zinc/74/83/56/356748356.db2.gz ACZOCNXUGLZEPH-VHSXEESVSA-N 0 3 237.351 0.892 20 0 BCADHN CC[C@H]1CN(C)CCN1CCC(=O)NC(C)C ZINC000578188363 366373110 /nfs/dbraw/zinc/37/31/10/366373110.db2.gz PASBDMBJJFXSSF-LBPRGKRZSA-N 0 3 241.379 0.927 20 0 BCADHN CN1CCC(NC(=O)NCC(C)(C)CO)CC1 ZINC000153446227 538618440 /nfs/dbraw/zinc/61/84/40/538618440.db2.gz HAXPYRCZSIYTGJ-UHFFFAOYSA-N 0 3 243.351 0.398 20 0 BCADHN C[C@]12COC[C@H]1CN(CCc1cnccn1)C2 ZINC000639824369 356804717 /nfs/dbraw/zinc/80/47/17/356804717.db2.gz JLEVPBVLKHHERU-YPMHNXCESA-N 0 3 233.315 0.987 20 0 BCADHN CN(C)CCN(C)C(=O)NC1CC=CC1 ZINC000154909434 538687896 /nfs/dbraw/zinc/68/78/96/538687896.db2.gz JZFCYFQJWJRSML-UHFFFAOYSA-N 0 3 211.309 0.908 20 0 BCADHN CC[C@@H](OC)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000356805275 356806006 /nfs/dbraw/zinc/80/60/06/356806006.db2.gz ASJQIUBWUHSWNL-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN CN(CCOCC1CC1)C[C@H]1COCCO1 ZINC000450480797 202179861 /nfs/dbraw/zinc/17/98/61/202179861.db2.gz CEFQZMFHGYBCAN-LBPRGKRZSA-N 0 3 229.320 0.760 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CCN1 ZINC000357304771 356823694 /nfs/dbraw/zinc/82/36/94/356823694.db2.gz MKOGEOBHKAPJQT-GMTAPVOTSA-N 0 3 238.331 0.622 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)CCOCC1CC1 ZINC000450488218 202181463 /nfs/dbraw/zinc/18/14/63/202181463.db2.gz USSKXMNFDPZVEC-GFCCVEGCSA-N 0 3 229.320 0.685 20 0 BCADHN c1cnc(CCN2CC[C@H]3COC[C@H]3C2)cn1 ZINC000639861481 356868511 /nfs/dbraw/zinc/86/85/11/356868511.db2.gz BYURPGRONRXJGP-NWDGAFQWSA-N 0 3 233.315 0.987 20 0 BCADHN CN(C)CCNC(=O)Cn1ccc(C(F)F)n1 ZINC000623370608 356876471 /nfs/dbraw/zinc/87/64/71/356876471.db2.gz RVZLJMSHMZWOKR-UHFFFAOYSA-N 0 3 246.261 0.499 20 0 BCADHN Cc1cc(CNCCN2CC[C@@H](O)C2)ccn1 ZINC000623759657 356877800 /nfs/dbraw/zinc/87/78/00/356877800.db2.gz UZMBPBHDSSBSJZ-CYBMUJFWSA-N 0 3 235.331 0.546 20 0 BCADHN CO[C@@H]1CN(CCc2cn[nH]n2)CC[C@H]1C ZINC000660376447 538707838 /nfs/dbraw/zinc/70/78/38/538707838.db2.gz OOMQRFRIGRHGHK-MWLCHTKSSA-N 0 3 224.308 0.704 20 0 BCADHN Cc1cncc(CN2C[C@@H](O)C[C@]2(C)CO)c1 ZINC000639848348 356846172 /nfs/dbraw/zinc/84/61/72/356846172.db2.gz GXAJBCKBSFMRCD-QWHCGFSZSA-N 0 3 236.315 0.708 20 0 BCADHN C[C@@]1(CO)C[C@@H](O)CN1CCC(F)(F)F ZINC000639850280 356851200 /nfs/dbraw/zinc/85/12/00/356851200.db2.gz UJVDWWVDPJEKMR-SFYZADRCSA-N 0 3 227.226 0.756 20 0 BCADHN C[C@]1(CO)C[C@H](O)CN1Cc1ccccn1 ZINC000639851416 356851287 /nfs/dbraw/zinc/85/12/87/356851287.db2.gz MGSRMAWSPIADOJ-NWDGAFQWSA-N 0 3 222.288 0.399 20 0 BCADHN Cc1cnn(CCN2C[C@H](O)C[C@@]2(C)CO)c1 ZINC000639850860 356854557 /nfs/dbraw/zinc/85/45/57/356854557.db2.gz XRWJYGQPOKWEBP-NEPJUHHUSA-N 0 3 239.319 0.009 20 0 BCADHN C[C@@]1(CO)C[C@H](O)CN1CCOCC(F)F ZINC000639851174 356854927 /nfs/dbraw/zinc/85/49/27/356854927.db2.gz ZJYYPFNSUSKIND-WPRPVWTQSA-N 0 3 239.262 0.086 20 0 BCADHN Cc1cccnc1CN1C[C@@H](O)C[C@]1(C)CO ZINC000639851035 356855426 /nfs/dbraw/zinc/85/54/26/356855426.db2.gz YNNQMYPWWXJYOV-WCQYABFASA-N 0 3 236.315 0.708 20 0 BCADHN Cc1nc(CNCCN2CC[C@@H](O)C2)[nH]c1C ZINC000623759185 356860369 /nfs/dbraw/zinc/86/03/69/356860369.db2.gz BOEZDYHBAPIHKU-LLVKDONJSA-N 0 3 238.335 0.183 20 0 BCADHN CNC(=O)CN1CCCC[C@H]1C[C@@H](C)O ZINC000163107718 202188808 /nfs/dbraw/zinc/18/88/08/202188808.db2.gz MOHGJAFBMDPGTE-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H](N[C@H](CO)C1CCOCC1)c1ncc[nH]1 ZINC000353592100 538751453 /nfs/dbraw/zinc/75/14/53/538751453.db2.gz JFCIUVCCURUWJO-MWLCHTKSSA-N 0 3 239.319 0.848 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N[C@H](C)CC(N)=O ZINC000361061937 356916104 /nfs/dbraw/zinc/91/61/04/356916104.db2.gz VOENUZPOEHUGHO-ZJUUUORDSA-N 0 3 241.335 0.241 20 0 BCADHN CCCCOC[C@H](O)CN1CC[C@@H](O)C1 ZINC000193255742 356897588 /nfs/dbraw/zinc/89/75/88/356897588.db2.gz LMBFZRNEEIUEHD-GHMZBOCLSA-N 0 3 217.309 0.231 20 0 BCADHN CCN1CCCN(C[C@@H](O)C(C)C)CC1=O ZINC000367911194 356961950 /nfs/dbraw/zinc/96/19/50/356961950.db2.gz MTNXJODNWOHNSN-LLVKDONJSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@@H](O)CN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368966758 356980223 /nfs/dbraw/zinc/98/02/23/356980223.db2.gz RBAMIQRZPLEGJL-VLEAKVRGSA-N 0 3 226.320 0.343 20 0 BCADHN CCCCOC[C@@H](O)CN1C[C@@H](O)C2(CC2)C1 ZINC000369486880 356987745 /nfs/dbraw/zinc/98/77/45/356987745.db2.gz XYIHPWFFIRSZOF-NWDGAFQWSA-N 0 3 243.347 0.621 20 0 BCADHN Cc1cnccc1CCN1CCN(C)C[C@@H]1CO ZINC000639867149 356989135 /nfs/dbraw/zinc/98/91/35/356989135.db2.gz KNLYVMUVCWNOER-CQSZACIVSA-N 0 3 249.358 0.541 20 0 BCADHN CC[C@@H](OC)C(=O)N1CCC[C@@H]1CN(C)C ZINC000362509150 356946736 /nfs/dbraw/zinc/94/67/36/356946736.db2.gz VHGZVSPOGMNFKD-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN CC1(C)CN([C@@H]2CCNC2=O)CCCO1 ZINC000370753084 357029292 /nfs/dbraw/zinc/02/92/92/357029292.db2.gz DNJNSLHHNBDPBP-SECBINFHSA-N 0 3 212.293 0.376 20 0 BCADHN CC(C)NC(=S)N[C@H]1CCN(C)C1 ZINC000053528415 357030870 /nfs/dbraw/zinc/03/08/70/357030870.db2.gz XOYIGNPYUONJPJ-QMMMGPOBSA-N 0 3 201.339 0.563 20 0 BCADHN C[C@H](CN[C@@H]1C[C@H](O)C1(C)C)S(C)(=O)=O ZINC000389860405 357055832 /nfs/dbraw/zinc/05/58/32/357055832.db2.gz DCTVJXMCMXFDOX-HLTSFMKQSA-N 0 3 235.349 0.169 20 0 BCADHN CCCCOC[C@H](O)CN1CC[C@@H](C)[C@H](O)C1 ZINC000300295024 357037104 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357723981 /nfs/dbraw/zinc/72/39/81/357723981.db2.gz JIFBDLFPBLRVJE-UWVGGRQHSA-N 0 3 228.336 0.868 20 0 BCADHN CC1(C)CCCN[C@H]1C(=O)NCc1cc[nH]n1 ZINC000232938538 357695200 /nfs/dbraw/zinc/69/52/00/357695200.db2.gz IGIRYUWOLGIWEC-JTQLQIEISA-N 0 3 236.319 0.804 20 0 BCADHN CC[C@@H](C)CC(=O)NCCN(CC)CCO ZINC000190328867 357701053 /nfs/dbraw/zinc/70/10/53/357701053.db2.gz VBKDIHRKZZUVFY-LLVKDONJSA-N 0 3 230.352 0.853 20 0 BCADHN CCN(CC)C(=O)CN1C[C@@H](C)[C@H](CO)C1 ZINC000190855179 357727945 /nfs/dbraw/zinc/72/79/45/357727945.db2.gz BWSDCYLFZAMQBI-MNOVXSKESA-N 0 3 228.336 0.415 20 0 BCADHN CC(C)NC(=O)CN1C[C@@H](C)[C@H](CO)C1 ZINC000190913601 357732877 /nfs/dbraw/zinc/73/28/77/357732877.db2.gz NXNNHAXMXUIFQO-ZJUUUORDSA-N 0 3 214.309 0.071 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190917891 357732916 /nfs/dbraw/zinc/73/29/16/357732916.db2.gz JWHIGIPSQXYIBR-WOPDTQHZSA-N 0 3 242.363 0.804 20 0 BCADHN Cc1oncc1CN(C)C1(CO)CCOCC1 ZINC000191010329 357743160 /nfs/dbraw/zinc/74/31/60/357743160.db2.gz DKMNLNQAVIXRBN-UHFFFAOYSA-N 0 3 240.303 0.956 20 0 BCADHN CN(C)C(=O)C1(NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000514674968 259472691 /nfs/dbraw/zinc/47/26/91/259472691.db2.gz AWYFKTWPMGKBIZ-QWRGUYRKSA-N 0 3 240.347 0.748 20 0 BCADHN CCN1CCN(CCN2CCOC[C@@H]2C)CC1 ZINC000191406353 357769471 /nfs/dbraw/zinc/76/94/71/357769471.db2.gz KVJBICWWXKBZEY-ZDUSSCGKSA-N 0 3 241.379 0.345 20 0 BCADHN CCCN(CCO)CCN1CCOC[C@@H]1C ZINC000191441142 357770887 /nfs/dbraw/zinc/77/08/87/357770887.db2.gz XHAOPJUAUHXKJB-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000191822159 357799363 /nfs/dbraw/zinc/79/93/63/357799363.db2.gz DWCNIQUCNMGVRD-MNOVXSKESA-N 0 3 228.336 0.413 20 0 BCADHN C[C@H]1CCCN(CC(=O)N2CCCC2)[C@@H]1CO ZINC000132928169 325253240 /nfs/dbraw/zinc/25/32/40/325253240.db2.gz VXVBSONLHRGTBV-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN Cc1noc([C@H]2CCCN(C[C@@H](C)O)C2)n1 ZINC000192972327 357861934 /nfs/dbraw/zinc/86/19/34/357861934.db2.gz JGNGMCKWJNVKHD-SCZZXKLOSA-N 0 3 225.292 0.938 20 0 BCADHN CC(C)[C@H](CO)NCC(=O)N1CCCCC1 ZINC000086124105 357854662 /nfs/dbraw/zinc/85/46/62/357854662.db2.gz YCSIXUIXFNWHET-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CCCCNC(=O)CN[C@@H](CO)C(C)C ZINC000086124210 357854864 /nfs/dbraw/zinc/85/48/64/357854864.db2.gz KNADQILWHBDFGS-JTQLQIEISA-N 0 3 216.325 0.509 20 0 BCADHN Cc1cnn(CC(=O)NC[C@H](C)N(C)C)c1 ZINC000055301653 363590937 /nfs/dbraw/zinc/59/09/37/363590937.db2.gz CFHYTNQFUMDWPU-JTQLQIEISA-N 0 3 224.308 0.258 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN(C)[C@@H]1CCOC1 ZINC000234701734 357826187 /nfs/dbraw/zinc/82/61/87/357826187.db2.gz ZDWUYLRZNYHBCI-TUAOUCFPSA-N 0 3 247.335 0.120 20 0 BCADHN CO[C@@H]1CN(CCC(C)(C)O)C[C@@H]1OC ZINC000234786161 357829211 /nfs/dbraw/zinc/82/92/11/357829211.db2.gz OYJYASROZSSUBH-AOOOYVTPSA-N 0 3 217.309 0.493 20 0 BCADHN CO[C@]1(CN[C@@H](C)c2ccnn2C)CCOC1 ZINC000234834054 357833709 /nfs/dbraw/zinc/83/37/09/357833709.db2.gz YQZQFGXTCWEGLP-JQWIXIFHSA-N 0 3 239.319 0.876 20 0 BCADHN CC[C@H](C)C[N@@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192635628 357841688 /nfs/dbraw/zinc/84/16/88/357841688.db2.gz AFLYJQOXWMZYJH-JOYOIKCWSA-N 0 3 239.319 0.707 20 0 BCADHN CC[C@H](C)C[N@H+]1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192635628 357841691 /nfs/dbraw/zinc/84/16/91/357841691.db2.gz AFLYJQOXWMZYJH-JOYOIKCWSA-N 0 3 239.319 0.707 20 0 BCADHN O=C1[N-]C(=O)[C@@]2(CCC[N@H+](CC3CC3)C2)N1 ZINC000192635687 357841755 /nfs/dbraw/zinc/84/17/55/357841755.db2.gz YWYPJJNDJSCBJX-NSHDSACASA-N 0 3 223.276 0.070 20 0 BCADHN O=C1[N-]C(=O)[C@@]2(CCC[N@@H+](CC3CC3)C2)N1 ZINC000192635687 357841757 /nfs/dbraw/zinc/84/17/57/357841757.db2.gz YWYPJJNDJSCBJX-NSHDSACASA-N 0 3 223.276 0.070 20 0 BCADHN CCCCC[N@@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000192636713 357842189 /nfs/dbraw/zinc/84/21/89/357842189.db2.gz JFEMDOPELVIKDX-LBPRGKRZSA-N 0 3 239.319 0.851 20 0 BCADHN CCCCC[N@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000192636713 357842191 /nfs/dbraw/zinc/84/21/91/357842191.db2.gz JFEMDOPELVIKDX-LBPRGKRZSA-N 0 3 239.319 0.851 20 0 BCADHN CC(C)C[N@@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000192659427 357842521 /nfs/dbraw/zinc/84/25/21/357842521.db2.gz VJOMMNJRILEEEB-NSHDSACASA-N 0 3 225.292 0.316 20 0 BCADHN CC(C)C[N@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000192659427 357842525 /nfs/dbraw/zinc/84/25/25/357842525.db2.gz VJOMMNJRILEEEB-NSHDSACASA-N 0 3 225.292 0.316 20 0 BCADHN Cc1cnn(CC(=O)NC[C@@H](C)N(C)C)c1 ZINC000055301652 363590730 /nfs/dbraw/zinc/59/07/30/363590730.db2.gz CFHYTNQFUMDWPU-SNVBAGLBSA-N 0 3 224.308 0.258 20 0 BCADHN CCOC(=O)N1CCCN(C[C@H](C)O)CC1 ZINC000192704485 357848432 /nfs/dbraw/zinc/84/84/32/357848432.db2.gz GMFTYFPKGBSUMV-JTQLQIEISA-N 0 3 230.308 0.531 20 0 BCADHN CC1(C)CCN1C[C@H](O)CN1CCOCC1 ZINC000546050206 325262559 /nfs/dbraw/zinc/26/25/59/325262559.db2.gz SKLADAIMDFGMDT-LLVKDONJSA-N 0 3 228.336 0.164 20 0 BCADHN CNCC(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000193138081 357875652 /nfs/dbraw/zinc/87/56/52/357875652.db2.gz ZCNDBAROYWUWGE-GXSJLCMTSA-N 0 3 234.299 0.887 20 0 BCADHN C[C@@]1(CO)CCCN1CC(=O)N1CCC1 ZINC000546104245 325265949 /nfs/dbraw/zinc/26/59/49/325265949.db2.gz JKTKBHHUIATUSK-NSHDSACASA-N 0 3 212.293 0.066 20 0 BCADHN C[C@H](NC[C@H]1COCCO1)c1ccnn1C ZINC000235537645 357878347 /nfs/dbraw/zinc/87/83/47/357878347.db2.gz VZEOJESPBWQAPW-UWVGGRQHSA-N 0 3 225.292 0.486 20 0 BCADHN CN(C)Cc1ccccc1C(=O)N1CC(O)C1 ZINC000583298484 357883571 /nfs/dbraw/zinc/88/35/71/357883571.db2.gz PBVPKRFTEJWWTI-UHFFFAOYSA-N 0 3 234.299 0.565 20 0 BCADHN N[C@@H](C(=O)NCc1ccc(=O)[nH]c1)C1CCC1 ZINC000399095296 357895759 /nfs/dbraw/zinc/89/57/59/357895759.db2.gz VILVSVRWEOBWQZ-LLVKDONJSA-N 0 3 235.287 0.531 20 0 BCADHN N[C@@H](C(=O)NCc1cccnc1)C1CCC1 ZINC000398971717 357891833 /nfs/dbraw/zinc/89/18/33/357891833.db2.gz AOGNFNFAYQKVLP-LLVKDONJSA-N 0 3 219.288 0.825 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)C[C@H]1CCOC1 ZINC000399030255 357894140 /nfs/dbraw/zinc/89/41/40/357894140.db2.gz PSRBZQJEDJMWPP-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN COCCNCC(=O)N1CCC[C@@H](C)CC1 ZINC000086158293 357863526 /nfs/dbraw/zinc/86/35/26/357863526.db2.gz ZRIKOGLIOKPLFR-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN COCCNCC(=O)NCc1ccc(C)s1 ZINC000086158196 357863571 /nfs/dbraw/zinc/86/35/71/357863571.db2.gz QZRGQXKSCUUINH-UHFFFAOYSA-N 0 3 242.344 0.909 20 0 BCADHN Cc1noc(CCNC(=O)[C@H](N)C2CCC2)n1 ZINC000399158121 357896812 /nfs/dbraw/zinc/89/68/12/357896812.db2.gz DPIIAFFKOOLZMI-SNVBAGLBSA-N 0 3 238.291 0.164 20 0 BCADHN Cn1cncc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000583719726 357909068 /nfs/dbraw/zinc/90/90/68/357909068.db2.gz AKOMEEPBGQEWCG-SNVBAGLBSA-N 0 3 236.319 0.492 20 0 BCADHN Cc1cc(CC(=O)NCCN(C)C2CC2)on1 ZINC000584415012 357915807 /nfs/dbraw/zinc/91/58/07/357915807.db2.gz REGCSVLANQKPTG-UHFFFAOYSA-N 0 3 237.303 0.736 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)C(C)(C)CO)C1 ZINC000583736657 357930708 /nfs/dbraw/zinc/93/07/08/357930708.db2.gz NGNNCPQORPAXIM-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN Cn1c(NC(=O)[C@H]2CCN2)nc2cccnc21 ZINC000583751076 357933962 /nfs/dbraw/zinc/93/39/62/357933962.db2.gz BAEAXVIECSQWMV-MRVPVSSYSA-N 0 3 231.259 0.269 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2CCC(=O)C2)CCC1 ZINC000583754603 357934755 /nfs/dbraw/zinc/93/47/55/357934755.db2.gz OEGAOXVXUGRQQC-SNVBAGLBSA-N 0 3 238.331 0.956 20 0 BCADHN CNC(=O)NC(=O)CN(C)C(C1CC1)C1CC1 ZINC000050989569 357943341 /nfs/dbraw/zinc/94/33/41/357943341.db2.gz ZPQLPJUDNHAMCF-UHFFFAOYSA-N 0 3 239.319 0.562 20 0 BCADHN CC(C)OC[C@@H](O)CN1CC[C@@H](O)C[C@H]1C ZINC000639939680 357948917 /nfs/dbraw/zinc/94/89/17/357948917.db2.gz OSMUFNBAELRGBS-UTUOFQBUSA-N 0 3 231.336 0.618 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H]1CCCC[C@@H]1O ZINC000583810520 357955522 /nfs/dbraw/zinc/95/55/22/357955522.db2.gz SSWYJYPFTJNKBY-ZRUFSTJUSA-N 0 3 215.293 0.293 20 0 BCADHN COC[C@@](C)(O)CCNCc1cnc(C)n1C ZINC000583824006 357958798 /nfs/dbraw/zinc/95/87/98/357958798.db2.gz PNMQNTXDQFXIPO-LBPRGKRZSA-N 0 3 241.335 0.606 20 0 BCADHN CC[C@H](O)CCNC[C@@H](O)C(F)(F)F ZINC000218809150 357967460 /nfs/dbraw/zinc/96/74/60/357967460.db2.gz NSUDJRUBRXYENT-NKWVEPMBSA-N 0 3 215.215 0.660 20 0 BCADHN CCCCNC(=O)CCN[C@@](C)(CO)COC ZINC000639955573 357977199 /nfs/dbraw/zinc/97/71/99/357977199.db2.gz PKWBHVKLGKCSBC-LBPRGKRZSA-N 0 3 246.351 0.280 20 0 BCADHN COC[C@](C)(CO)NCCc1cncc(C)n1 ZINC000639956059 357978398 /nfs/dbraw/zinc/97/83/98/357978398.db2.gz BZSDURBEUUAXSW-LBPRGKRZSA-N 0 3 239.319 0.315 20 0 BCADHN COC[C@](C)(CO)NC[C@@H](OC)C1CCC1 ZINC000639957406 357982206 /nfs/dbraw/zinc/98/22/06/357982206.db2.gz NXSSRRZTTBIVOA-NEPJUHHUSA-N 0 3 231.336 0.789 20 0 BCADHN COC[C@](C)(CO)NC[C@@H](O)CCOC(C)C ZINC000639958117 357982212 /nfs/dbraw/zinc/98/22/12/357982212.db2.gz PNHFXJOSCCYEOB-RYUDHWBXSA-N 0 3 249.351 0.149 20 0 BCADHN Cc1cccc(CNC(=O)NCCN(C)C)n1 ZINC000133487900 325296548 /nfs/dbraw/zinc/29/65/48/325296548.db2.gz KJGDTPDYSVYNTI-UHFFFAOYSA-N 0 3 236.319 0.751 20 0 BCADHN Cc1nccc(CNC(=O)NCCN(C)C)n1 ZINC000133494034 325297529 /nfs/dbraw/zinc/29/75/29/325297529.db2.gz CPUGGERTVATBJR-UHFFFAOYSA-N 0 3 237.307 0.146 20 0 BCADHN COC[C@@](C)(CO)NCCn1cc(C)cn1 ZINC000639955164 357987374 /nfs/dbraw/zinc/98/73/74/357987374.db2.gz KGGZBPVXGRZOND-LLVKDONJSA-N 0 3 227.308 0.179 20 0 BCADHN C[C@@H]1CC[C@H](CN2CC[C@H](CO)[C@H](O)C2)O1 ZINC000584493295 358002991 /nfs/dbraw/zinc/00/29/91/358002991.db2.gz QFSWPDIKZFFJHI-DDHJBXDOSA-N 0 3 229.320 0.229 20 0 BCADHN CCO[C@@H](CC)C(=O)NCCN(CC)CCO ZINC000546718811 325305120 /nfs/dbraw/zinc/30/51/20/325305120.db2.gz DINHEJXCQNEBRD-NSHDSACASA-N 0 3 246.351 0.232 20 0 BCADHN CCNC(=O)CNC(C)(C)C(C)(C)O ZINC000229166399 491118885 /nfs/dbraw/zinc/11/88/85/491118885.db2.gz QOOHYPJYLRZTED-UHFFFAOYSA-N 0 3 202.298 0.262 20 0 BCADHN CCCS(=O)(=O)NC[C@H](C)N1CCCC1 ZINC000036077174 358014755 /nfs/dbraw/zinc/01/47/55/358014755.db2.gz JOYZQSVZQHSPPG-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCCO1)N1CCCC1 ZINC000036076933 358014869 /nfs/dbraw/zinc/01/48/69/358014869.db2.gz OIRVEBOSPJGTKC-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN CCN(C)C(=O)CNC(=O)[C@@H]1CCCCCN1 ZINC000219846399 358014898 /nfs/dbraw/zinc/01/48/98/358014898.db2.gz YBCYRHHUDDSSIC-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCCO1)N1CCCC1 ZINC000036076929 358015096 /nfs/dbraw/zinc/01/50/96/358015096.db2.gz OIRVEBOSPJGTKC-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN COCCOCCN1C[C@H](OC)C[C@@]1(C)CO ZINC000639999102 358036064 /nfs/dbraw/zinc/03/60/64/358036064.db2.gz HMBNMGNWEJTKMC-NEPJUHHUSA-N 0 3 247.335 0.121 20 0 BCADHN O=C(CCc1ccco1)NC[C@@H]1CNCCO1 ZINC000036285276 358019207 /nfs/dbraw/zinc/01/92/07/358019207.db2.gz BILGMCYFYSIYLN-NSHDSACASA-N 0 3 238.287 0.317 20 0 BCADHN CCN1OC[C@@H](N(C)Cc2cn[nH]c2C)C1=O ZINC000639970788 358024425 /nfs/dbraw/zinc/02/44/25/358024425.db2.gz KPVVFFDSVMIMIW-SNVBAGLBSA-N 0 3 238.291 0.312 20 0 BCADHN O=C(N[C@@H]1CC[C@H]1O)N[C@H]1CCN(C2CC2)C1 ZINC000584526173 358041028 /nfs/dbraw/zinc/04/10/28/358041028.db2.gz ZKJNZUSDPRHBHU-JMJZKYOTSA-N 0 3 239.319 0.046 20 0 BCADHN CO[C@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000168828751 134247248 /nfs/dbraw/zinc/24/72/48/134247248.db2.gz ZCGQXEGYVBMMNK-NXEZZACHSA-N 0 3 214.309 0.574 20 0 BCADHN C[C@H](NCCC(N)=O)c1cccc(O)c1 ZINC000036746966 358046208 /nfs/dbraw/zinc/04/62/08/358046208.db2.gz CZEIDIGLVMUETJ-QMMMGPOBSA-N 0 3 208.261 0.918 20 0 BCADHN CC(C)(C)N[C@H]1CC(=O)N(C2CC2)C1=O ZINC000036850857 358054074 /nfs/dbraw/zinc/05/40/74/358054074.db2.gz NKGCONKRAUVPSF-QMMMGPOBSA-N 0 3 210.277 0.664 20 0 BCADHN CC(C)(C)CC(=O)N1CCN(C(=O)CN)CC1 ZINC000083961176 491120038 /nfs/dbraw/zinc/12/00/38/491120038.db2.gz CYTNTWAQVKFGQB-UHFFFAOYSA-N 0 3 241.335 0.052 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cnn(CCOC)c1 ZINC000037043742 358063746 /nfs/dbraw/zinc/06/37/46/358063746.db2.gz SHCYPTOKXULGPY-SECBINFHSA-N 0 3 226.280 0.205 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)Cn1cccn1 ZINC000036999230 358063944 /nfs/dbraw/zinc/06/39/44/358063944.db2.gz OWHRYIFTLRBIEO-RKDXNWHRSA-N 0 3 210.281 0.125 20 0 BCADHN CCN(CC(N)=O)[C@H]1CCOC(C)(C)C1 ZINC000351933264 535388444 /nfs/dbraw/zinc/38/84/44/535388444.db2.gz BXGAKLFGQFNDQW-VIFPVBQESA-N 0 3 214.309 0.751 20 0 BCADHN NC(=O)c1ccc(NC(=O)CNC2CC2)cc1 ZINC000037386701 358078880 /nfs/dbraw/zinc/07/88/80/358078880.db2.gz SJVKHFMVRGTBQT-UHFFFAOYSA-N 0 3 233.271 0.476 20 0 BCADHN COC(=O)[C@H](CC(C)C)NC(=O)CNC1CC1 ZINC000037395081 358079866 /nfs/dbraw/zinc/07/98/66/358079866.db2.gz LTZCKCBYBYYFHI-JTQLQIEISA-N 0 3 242.319 0.442 20 0 BCADHN CN(C)c1ccc(NC(=O)CNC2CC2)cn1 ZINC000037609450 358083681 /nfs/dbraw/zinc/08/36/81/358083681.db2.gz IIVPZYWQYCKPND-UHFFFAOYSA-N 0 3 234.303 0.838 20 0 BCADHN CCOC(=O)CN(C(=O)CNC1CC1)C1CC1 ZINC000037825637 358095419 /nfs/dbraw/zinc/09/54/19/358095419.db2.gz NFJQLRURSOIGTI-UHFFFAOYSA-N 0 3 240.303 0.293 20 0 BCADHN O[C@H](CNCc1ccccn1)Cn1cccn1 ZINC000037881292 358096610 /nfs/dbraw/zinc/09/66/10/358096610.db2.gz MUZHMNNVFWPSBJ-GFCCVEGCSA-N 0 3 232.287 0.429 20 0 BCADHN CCN(CC)C(=O)C1CCN(CCCO)CC1 ZINC000058524489 535397603 /nfs/dbraw/zinc/39/76/03/535397603.db2.gz VJVAUKCHLNKJPS-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC[C@H](CCO)C1 ZINC000051916655 358100101 /nfs/dbraw/zinc/10/01/01/358100101.db2.gz ICCWXUYKPNLZPA-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@H](CCO)C1 ZINC000051917054 358100431 /nfs/dbraw/zinc/10/04/31/358100431.db2.gz HMHCRLUCZZJUJU-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN COC(=O)C[C@@H](C)C(=O)N[C@H]1CCCN(C)C1 ZINC000610716624 358107215 /nfs/dbraw/zinc/10/72/15/358107215.db2.gz GKSCDMABOPZOCM-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@H]1CN(CCN2CCCC2=O)CCCO1 ZINC000170766218 134253488 /nfs/dbraw/zinc/25/34/88/134253488.db2.gz WDVZDSXXWKDLEW-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN C[C@H](N)C(=O)N(C)Cc1cccc(O)c1 ZINC000037824093 358094937 /nfs/dbraw/zinc/09/49/37/358094937.db2.gz SZIYWAWANRRWHQ-QMMMGPOBSA-N 0 3 208.261 0.698 20 0 BCADHN COC[C@H]1CCN1C(=O)CN1CC[C@@H](C)C1 ZINC000584664316 358123065 /nfs/dbraw/zinc/12/30/65/358123065.db2.gz BYFJNQYWIJWQRF-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN CN[C@@H](C)C(=O)NCCCCC(=O)OC ZINC000584664917 358123410 /nfs/dbraw/zinc/12/34/10/358123410.db2.gz UULUZTQNLDJRDO-QMMMGPOBSA-N 0 3 216.281 0.054 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCOC[C@@H](C)C1 ZINC000450618496 202213582 /nfs/dbraw/zinc/21/35/82/202213582.db2.gz VHQLORRLAXPKEV-GXSJLCMTSA-N 0 3 215.293 0.295 20 0 BCADHN CC[C@]1(O)CCCN(CC(=O)N(C)C2CC2)C1 ZINC000640033745 358126515 /nfs/dbraw/zinc/12/65/15/358126515.db2.gz WCIOWULQFHKTRJ-ZDUSSCGKSA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@]1(O)CCCN([C@H]2CCCNC2=O)C1 ZINC000640034071 358126533 /nfs/dbraw/zinc/12/65/33/358126533.db2.gz SSZCRRIBYKCBQS-JQWIXIFHSA-N 0 3 226.320 0.502 20 0 BCADHN CC[C@]1(O)CCCN([C@@H]2CCN(C)C2=O)C1 ZINC000640033739 358126644 /nfs/dbraw/zinc/12/66/44/358126644.db2.gz VWSYAWINFNZGHX-PWSUYJOCSA-N 0 3 226.320 0.454 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@](O)(CC)C1 ZINC000640034213 358126749 /nfs/dbraw/zinc/12/67/49/358126749.db2.gz ZWZMTXNILSISLY-MWLCHTKSSA-N 0 3 214.309 0.487 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC000583881122 358114947 /nfs/dbraw/zinc/11/49/47/358114947.db2.gz SGIQFZDTJGQAED-VHSXEESVSA-N 0 3 242.319 0.254 20 0 BCADHN COCCN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640041086 358139106 /nfs/dbraw/zinc/13/91/06/358139106.db2.gz NPVTVTLRHQGTMO-JGVFFNPUSA-N 0 3 227.226 0.735 20 0 BCADHN C[C@@H](O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000335757071 491122956 /nfs/dbraw/zinc/12/29/56/491122956.db2.gz BPSLESPOSOGZTM-NXEZZACHSA-N 0 3 226.320 0.500 20 0 BCADHN CCN1CC[C@H](N2CCC[C@](O)(CC)C2)C1=O ZINC000640036847 358137269 /nfs/dbraw/zinc/13/72/69/358137269.db2.gz YIMUBOLZVHVNKK-WCQYABFASA-N 0 3 240.347 0.844 20 0 BCADHN NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000046091525 181295464 /nfs/dbraw/zinc/29/54/64/181295464.db2.gz WDQCIPYJLIDIGD-UHFFFAOYSA-N 0 3 248.326 0.990 20 0 BCADHN CNC(=O)CCCN1CCC[C@H]1CF ZINC000584728753 358167316 /nfs/dbraw/zinc/16/73/16/358167316.db2.gz VOZAZJCKIGJBRV-VIFPVBQESA-N 0 3 202.273 0.947 20 0 BCADHN NC(=O)c1ccc(CN2C[C@@H](O)C3(CC3)C2)cc1 ZINC000336478384 181295377 /nfs/dbraw/zinc/29/53/77/181295377.db2.gz YCCQUCSCUQCGSZ-GFCCVEGCSA-N 0 3 246.310 0.742 20 0 BCADHN O[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cn[nH]c1)C2 ZINC000640078574 358183068 /nfs/dbraw/zinc/18/30/68/358183068.db2.gz VHQNWXWOYPGOOT-MIMYLULJSA-N 0 3 207.277 0.755 20 0 BCADHN COCCN1CCC[C@@H](n2cncn2)C1 ZINC000171701381 134260295 /nfs/dbraw/zinc/26/02/95/134260295.db2.gz DEJUUADHWPMOTJ-SNVBAGLBSA-N 0 3 210.281 0.561 20 0 BCADHN COC(=O)C1(CN2CCN(C)[C@@H](C)[C@H]2C)CC1 ZINC000450650301 202224460 /nfs/dbraw/zinc/22/44/60/202224460.db2.gz KAWVWVLMRNMEJE-WDEREUQCSA-N 0 3 240.347 0.964 20 0 BCADHN Cc1nc(CN2CCNC[C@H]2C(F)F)no1 ZINC000584840214 358199865 /nfs/dbraw/zinc/19/98/65/358199865.db2.gz QHJDPXOONYQKSU-ZETCQYMHSA-N 0 3 232.234 0.417 20 0 BCADHN COCCCOCCN(C)C[C@](C)(O)C(C)=O ZINC000450656446 202227992 /nfs/dbraw/zinc/22/79/92/202227992.db2.gz ZHCFMSZFRGDZMZ-LBPRGKRZSA-N 0 3 247.335 0.311 20 0 BCADHN CC[C@@](C)(N)c1cn(CCCCO)nn1 ZINC000395137077 491125379 /nfs/dbraw/zinc/12/53/79/491125379.db2.gz AOFIKLWXAMCRGU-SNVBAGLBSA-N 0 3 212.297 0.635 20 0 BCADHN CO[C@H](C)CNC(=O)[C@@H](N)CCSC ZINC000223729866 358230239 /nfs/dbraw/zinc/23/02/39/358230239.db2.gz HBSRHNXBIAIRAV-SFYZADRCSA-N 0 3 220.338 0.218 20 0 BCADHN CO[C@H](C)CNC(=O)[C@H](N)CCSC ZINC000223728284 358230628 /nfs/dbraw/zinc/23/06/28/358230628.db2.gz HBSRHNXBIAIRAV-HTQZYQBOSA-N 0 3 220.338 0.218 20 0 BCADHN CC[C@@H](N)C(=O)NCCc1csc(C)n1 ZINC000224015329 358231455 /nfs/dbraw/zinc/23/14/55/358231455.db2.gz YHASDOVTVBGRNH-SECBINFHSA-N 0 3 227.333 0.848 20 0 BCADHN COC[C@@H](CN1CCN(C)[C@@H](C(C)C)C1)OC ZINC000640141099 358232610 /nfs/dbraw/zinc/23/26/10/358232610.db2.gz WZBIJDVKBUWUDX-CHWSQXEVSA-N 0 3 244.379 0.920 20 0 BCADHN CN(Cc1nccn1C)C(=O)[C@@H](N)C(C)(C)C ZINC000040468570 358236994 /nfs/dbraw/zinc/23/69/94/358236994.db2.gz HXAQZWWBHOHGNJ-SNVBAGLBSA-N 0 3 238.335 0.752 20 0 BCADHN CC[C@@H](N)C(=O)NCc1nnc2ccccn21 ZINC000040828009 358246581 /nfs/dbraw/zinc/24/65/81/358246581.db2.gz BECCNIQBYOVRHG-MRVPVSSYSA-N 0 3 233.275 0.083 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cccc(C(N)=O)c1 ZINC000040832069 358246832 /nfs/dbraw/zinc/24/68/32/358246832.db2.gz LPCQFQXGPFFMFW-SNVBAGLBSA-N 0 3 235.287 0.139 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)[C@@H]1CCCOC1 ZINC000408154854 491125936 /nfs/dbraw/zinc/12/59/36/491125936.db2.gz NJYPOFUGGOWNCN-DTWKUNHWSA-N 0 3 249.332 0.057 20 0 BCADHN CCC[C@H](O)CN(C)[C@@]1(CO)CCOC1 ZINC000450713529 202242225 /nfs/dbraw/zinc/24/22/25/202242225.db2.gz SRBZRBLFVVBQKO-WDEREUQCSA-N 0 3 217.309 0.231 20 0 BCADHN COC1(CNCc2cnnn2C)CCC1 ZINC000134659010 325370098 /nfs/dbraw/zinc/37/00/98/325370098.db2.gz MPYKKPRXPFNIMG-UHFFFAOYSA-N 0 3 210.281 0.474 20 0 BCADHN CCOC(=O)C[C@@H](C)N(C)C[C@H]1COCCO1 ZINC000450717983 202243254 /nfs/dbraw/zinc/24/32/54/202243254.db2.gz ROAVYRVUQQHKGW-MNOVXSKESA-N 0 3 245.319 0.675 20 0 BCADHN CCOC(=O)C[C@@H](C)N(C)C[C@@H]1COCCO1 ZINC000450717982 202243913 /nfs/dbraw/zinc/24/39/13/202243913.db2.gz ROAVYRVUQQHKGW-GHMZBOCLSA-N 0 3 245.319 0.675 20 0 BCADHN C([C@H]1COCCO1)N1CCOCC2(CCC2)C1 ZINC000450747253 202253591 /nfs/dbraw/zinc/25/35/91/202253591.db2.gz STCPQPBWSWDHIV-LBPRGKRZSA-N 0 3 241.331 0.904 20 0 BCADHN CCC[C@H](O)CN1CCCC[C@]1(C)C(N)=O ZINC000450744080 202253757 /nfs/dbraw/zinc/25/37/57/202253757.db2.gz KRBZYQXLCAINSS-CMPLNLGQSA-N 0 3 228.336 0.877 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCOCC2(CCC2)C1 ZINC000450744979 202254464 /nfs/dbraw/zinc/25/44/64/202254464.db2.gz OFIKWFLEFWNHRQ-GFCCVEGCSA-N 0 3 241.331 0.829 20 0 BCADHN COC[C@H](O)CN1CCN(C)C(C)(C)C1 ZINC000225475139 358301400 /nfs/dbraw/zinc/30/14/00/358301400.db2.gz CKAHIXFKNDRTQJ-SNVBAGLBSA-N 0 3 216.325 0.020 20 0 BCADHN NC(=O)c1ccc(CNC[C@@H](O)C2CC2)cc1 ZINC000071302371 181296250 /nfs/dbraw/zinc/29/62/50/181296250.db2.gz FSJZPGRVJQIEGX-GFCCVEGCSA-N 0 3 234.299 0.646 20 0 BCADHN NC(=O)c1ccc(CNC[C@H](O)C2CC2)cc1 ZINC000071302369 181296408 /nfs/dbraw/zinc/29/64/08/181296408.db2.gz FSJZPGRVJQIEGX-LBPRGKRZSA-N 0 3 234.299 0.646 20 0 BCADHN CN[C@@H](C)C(=O)NCc1c(C)nn(C)c1C ZINC000086109902 358335496 /nfs/dbraw/zinc/33/54/96/358335496.db2.gz PJYDSVNOJUPCIV-QMMMGPOBSA-N 0 3 224.308 0.261 20 0 BCADHN CCc1nn(C)cc1NC(=O)CNC1CC1 ZINC000226705097 358343610 /nfs/dbraw/zinc/34/36/10/358343610.db2.gz DJBJCRCSUWATCG-UHFFFAOYSA-N 0 3 222.292 0.673 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000227376086 358354620 /nfs/dbraw/zinc/35/46/20/358354620.db2.gz AOENCWOLIHPDHW-LLVKDONJSA-N 0 3 236.271 0.801 20 0 BCADHN CC[C@@H](N)C(=O)N(CC)C[C@H]1CCCO1 ZINC000042470768 358349826 /nfs/dbraw/zinc/34/98/26/358349826.db2.gz QYKQSLYKTIDCQA-NXEZZACHSA-N 0 3 214.309 0.751 20 0 BCADHN CO[C@H](CN)C(=O)Nc1nc2c(s1)CCC2 ZINC000227378206 358355235 /nfs/dbraw/zinc/35/52/35/358355235.db2.gz HPJGQYVCIYIATR-SSDOTTSWSA-N 0 3 241.316 0.544 20 0 BCADHN CO[C@H](CN)c1nc(-c2ccco2)no1 ZINC000227298446 358353584 /nfs/dbraw/zinc/35/35/84/358353584.db2.gz PLMFSBRTFLPJQZ-SSDOTTSWSA-N 0 3 209.205 0.976 20 0 BCADHN C[C@@H]1C[C@H](N(C)S(=O)(=O)N(C)C)CCN1C ZINC000173276401 134273148 /nfs/dbraw/zinc/27/31/48/134273148.db2.gz AZELBXDDJCCPQI-NXEZZACHSA-N 0 3 249.380 0.207 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](O)CC(C)(C)C ZINC000226113456 358334412 /nfs/dbraw/zinc/33/44/12/358334412.db2.gz PAZXEMCOXNSSJC-IUCAKERBSA-N 0 3 216.325 0.508 20 0 BCADHN CC(=O)NCCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000173644183 134275922 /nfs/dbraw/zinc/27/59/22/134275922.db2.gz OJNHENRQSJCHLC-AOOOYVTPSA-N 0 3 241.335 0.112 20 0 BCADHN CS[C@H](CO)[C@@H](C)NC[C@@H](O)C(F)(F)F ZINC000228369823 358374606 /nfs/dbraw/zinc/37/46/06/358374606.db2.gz MGSORWHDOSLFGX-FSDSQADBSA-N 0 3 247.282 0.612 20 0 BCADHN Oc1ccc(CNC[C@H](O)Cn2cccn2)cc1 ZINC000228410950 358375703 /nfs/dbraw/zinc/37/57/03/358375703.db2.gz UAQSVLDCHSUNKQ-ZDUSSCGKSA-N 0 3 247.298 0.739 20 0 BCADHN C[C@@H](CNC(=O)c1cnc(N)cn1)N(C)C1CC1 ZINC000228576771 358380052 /nfs/dbraw/zinc/38/00/52/358380052.db2.gz TWMZPHBKPUDBEH-QMMMGPOBSA-N 0 3 249.318 0.271 20 0 BCADHN CO[C@@H](CN)C(=O)NC1Cc2ccccc2C1 ZINC000227415702 358356714 /nfs/dbraw/zinc/35/67/14/358356714.db2.gz CHXLWKUEDDSJHB-LBPRGKRZSA-N 0 3 234.299 0.244 20 0 BCADHN COCCC(C)(C)CNC(=O)[C@H](CN)OC ZINC000227418763 358356850 /nfs/dbraw/zinc/35/68/50/358356850.db2.gz XZECBIWSLCVGRO-VIFPVBQESA-N 0 3 232.324 0.139 20 0 BCADHN COC(=O)CN1CCc2ccccc2[C@@H]1CN ZINC000227723830 358362396 /nfs/dbraw/zinc/36/23/96/358362396.db2.gz RINHPVHUBIKUTM-LBPRGKRZSA-N 0 3 234.299 0.718 20 0 BCADHN Nc1ccc(CC(=O)N2CCCNCC2)nc1 ZINC000229602072 358404530 /nfs/dbraw/zinc/40/45/30/358404530.db2.gz FVMJLNBONUIVII-UHFFFAOYSA-N 0 3 234.303 0.028 20 0 BCADHN Cn1ccc(CCNCc2ccc(CO)o2)n1 ZINC000230881748 358411578 /nfs/dbraw/zinc/41/15/78/358411578.db2.gz OMSBZENXUHXIOD-UHFFFAOYSA-N 0 3 235.287 0.838 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@H]1C[C@@H](O)C1(C)C ZINC000228861091 358387121 /nfs/dbraw/zinc/38/71/21/358387121.db2.gz GOPKDAKRUCQQML-GARJFASQSA-N 0 3 242.363 0.896 20 0 BCADHN CC[C@H](O)CNCC(=O)Nc1ccccc1 ZINC000229977254 358387864 /nfs/dbraw/zinc/38/78/64/358387864.db2.gz ZPGABPWJDKBWOI-NSHDSACASA-N 0 3 222.288 0.986 20 0 BCADHN CC[C@H](O)CNC[C@H](O)C(F)(F)F ZINC000229977870 358388243 /nfs/dbraw/zinc/38/82/43/358388243.db2.gz QWRAKJUGBOJEAH-WDSKDSINSA-N 0 3 201.188 0.270 20 0 BCADHN CC[C@H](O)CNC[C@@H](O)C(F)(F)F ZINC000229977857 358388319 /nfs/dbraw/zinc/38/83/19/358388319.db2.gz QWRAKJUGBOJEAH-NTSWFWBYSA-N 0 3 201.188 0.270 20 0 BCADHN Cc1cc(CNC(=O)CNC2CC2)no1 ZINC000044727169 358393226 /nfs/dbraw/zinc/39/32/26/358393226.db2.gz GCAGQPPVYQJSPZ-UHFFFAOYSA-N 0 3 209.249 0.351 20 0 BCADHN Cc1cc(CNC(=O)[C@H](N)C(C)C)no1 ZINC000044727124 358393407 /nfs/dbraw/zinc/39/34/07/358393407.db2.gz LEHQAGCLZZELQK-SECBINFHSA-N 0 3 211.265 0.583 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@H](C)N)CC[C@H]1C ZINC000230242350 358396309 /nfs/dbraw/zinc/39/63/09/358396309.db2.gz WLICRZLGDIZXSU-HRDYMLBCSA-N 0 3 200.282 0.217 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000230244685 358397173 /nfs/dbraw/zinc/39/71/73/358397173.db2.gz ZIAJZNGBOFSPMB-BBBLOLIVSA-N 0 3 214.309 0.607 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CCSC2)C1 ZINC000231352549 358416921 /nfs/dbraw/zinc/41/69/21/358416921.db2.gz IIZYXHMSIZMXKD-BBBLOLIVSA-N 0 3 228.361 0.996 20 0 BCADHN OC[C@@H]1CCC[C@@H]1NC[C@@H](O)C(F)(F)F ZINC000231307006 358416973 /nfs/dbraw/zinc/41/69/73/358416973.db2.gz YQFIMIDKSWTEPM-BIIVOSGPSA-N 0 3 227.226 0.660 20 0 BCADHN COCCNCC(=O)N[C@@H]1CC=CCC1 ZINC000086158414 358426312 /nfs/dbraw/zinc/42/63/12/358426312.db2.gz LWTNGTRRFOKULH-SNVBAGLBSA-N 0 3 212.293 0.447 20 0 BCADHN CC(C)CN(C)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126099310 358546291 /nfs/dbraw/zinc/54/62/91/358546291.db2.gz SEULFLXXAZGOHB-NSHDSACASA-N 0 3 243.351 0.200 20 0 BCADHN CC[C@@H](C)C(=O)NCCN1CCN(CC)CC1 ZINC000042591894 358527751 /nfs/dbraw/zinc/52/77/51/358527751.db2.gz IBHSTFYGNPRXTF-GFCCVEGCSA-N 0 3 241.379 0.786 20 0 BCADHN CCC[C@H](CCO)N[C@H]1CCCS(=O)(=O)C1 ZINC000631669846 358609495 /nfs/dbraw/zinc/60/94/95/358609495.db2.gz RYTQFYJHJJGQPM-MNOVXSKESA-N 0 3 249.376 0.704 20 0 BCADHN CN(C)C1(CNC(=O)NCC(F)F)CC1 ZINC000640193882 358616770 /nfs/dbraw/zinc/61/67/70/358616770.db2.gz SYTVUPQHFLCCEW-UHFFFAOYSA-N 0 3 221.251 0.645 20 0 BCADHN CCSCCN1CCCN(C(N)=O)CC1 ZINC000130339751 358619553 /nfs/dbraw/zinc/61/95/53/358619553.db2.gz JKCFEZYIMCJDCZ-UHFFFAOYSA-N 0 3 231.365 0.826 20 0 BCADHN CCC[C@@H](N)C(=O)NCCc1ccncc1 ZINC000048262378 358623978 /nfs/dbraw/zinc/62/39/78/358623978.db2.gz ZZOSBPUYKFFOQN-LLVKDONJSA-N 0 3 221.304 0.868 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000130420709 358624776 /nfs/dbraw/zinc/62/47/76/358624776.db2.gz UAWLIALNODXUOB-OPRDCNLKSA-N 0 3 226.320 0.763 20 0 BCADHN COCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC000129626848 358590256 /nfs/dbraw/zinc/59/02/56/358590256.db2.gz CVTYMZWOGBHODG-SNVBAGLBSA-N 0 3 216.325 0.677 20 0 BCADHN C[C@H]1CO[C@@H](CO)CN1CCN1CCCCC1 ZINC000129714965 358594979 /nfs/dbraw/zinc/59/49/79/358594979.db2.gz LDMKIUXOGKCGTQ-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN CNC(=O)c1cccc(CN(C)[C@@H](C)CO)c1 ZINC000131988604 358702766 /nfs/dbraw/zinc/70/27/66/358702766.db2.gz SLRKTFUPYLVLFA-JTQLQIEISA-N 0 3 236.315 0.859 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1ccc[nH]c1=O ZINC000049096084 358669676 /nfs/dbraw/zinc/66/96/76/358669676.db2.gz GVTHRGGLYNKXLG-SECBINFHSA-N 0 3 235.287 0.199 20 0 BCADHN C[C@H]1OCC[C@@H]1C(=O)NCCN(C)C ZINC000133117982 358746094 /nfs/dbraw/zinc/74/60/94/358746094.db2.gz NCLBUGBBGFWXPM-BDAKNGLRSA-N 0 3 200.282 0.089 20 0 BCADHN CCOC[C@H]1CCN([C@@H](C)C(N)=O)C1 ZINC000176344812 134291134 /nfs/dbraw/zinc/29/11/34/134291134.db2.gz LRQOWOFKGIBNKU-IUCAKERBSA-N 0 3 200.282 0.219 20 0 BCADHN CCN1CCCN(C(=O)[C@H]2CCOC2)CC1 ZINC000133432979 358754214 /nfs/dbraw/zinc/75/42/14/358754214.db2.gz IFKNYPAWCHASIY-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC[C@H](O)C1)N(C)C ZINC000133415286 358754376 /nfs/dbraw/zinc/75/43/76/358754376.db2.gz YNSREKLLJTWZBZ-UWVGGRQHSA-N 0 3 214.309 0.166 20 0 BCADHN C[C@@H](O)CN(C)Cc1cccc(C(N)=O)c1 ZINC000051821675 358764372 /nfs/dbraw/zinc/76/43/72/358764372.db2.gz HGOHJDGHEWLRHJ-SECBINFHSA-N 0 3 222.288 0.598 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1CC[C@H](CO)C1 ZINC000051886987 358765643 /nfs/dbraw/zinc/76/56/43/358765643.db2.gz JBHUHXJNRJWMGT-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CCNC(=O)CN(CCC(=O)OC)CC(C)C ZINC000050031996 358710275 /nfs/dbraw/zinc/71/02/75/358710275.db2.gz FXULVSOUWDIPLI-UHFFFAOYSA-N 0 3 244.335 0.644 20 0 BCADHN CCC1(CC)[C@H](NCC(=O)NC)C[C@@H]1OC ZINC000132678784 358732913 /nfs/dbraw/zinc/73/29/13/358732913.db2.gz NSSAQRQLHFTBHB-ZJUUUORDSA-N 0 3 228.336 0.916 20 0 BCADHN CCC[C@H](O)CN1CCC[C@]12CCNC2=O ZINC000578245829 366469573 /nfs/dbraw/zinc/46/95/73/366469573.db2.gz ZPMYETALARLXCO-CMPLNLGQSA-N 0 3 226.320 0.502 20 0 BCADHN CCCN1CCCN(Cc2nccc(N)n2)CC1 ZINC000135074007 358819046 /nfs/dbraw/zinc/81/90/46/358819046.db2.gz WWAGROPABIQOFF-UHFFFAOYSA-N 0 3 249.362 0.977 20 0 BCADHN CCC[C@@H](O)CNCc1cnc(N(C)C)n1C ZINC000134356506 358787885 /nfs/dbraw/zinc/78/78/85/358787885.db2.gz IWLVOEJRFWFQMF-LLVKDONJSA-N 0 3 240.351 0.737 20 0 BCADHN CCO[C@H]1COCC[C@H]1NC1CSC1 ZINC000308505526 491136658 /nfs/dbraw/zinc/13/66/58/491136658.db2.gz ILXZWAJVMININF-ZJUUUORDSA-N 0 3 217.334 0.885 20 0 BCADHN CCC[C@@H](C)CN1CCO[C@@H](CC(N)=O)C1 ZINC000628474698 358865364 /nfs/dbraw/zinc/86/53/64/358865364.db2.gz MAMLUDFBEQWNCM-MNOVXSKESA-N 0 3 228.336 0.999 20 0 BCADHN C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)O3)CCCCN1 ZINC000136188131 358866415 /nfs/dbraw/zinc/86/64/15/358866415.db2.gz QWYJLMULPGEBNU-LOWVWBTDSA-N 0 3 238.331 0.908 20 0 BCADHN COC(C)(C)CN(C)CCN1CCNC1=O ZINC000578278164 366474597 /nfs/dbraw/zinc/47/45/97/366474597.db2.gz ZVVPZDYZPHXONE-UHFFFAOYSA-N 0 3 229.324 0.368 20 0 BCADHN Cc1ccncc1CN[C@@H]1CCC(=O)NC1 ZINC000135460803 358839264 /nfs/dbraw/zinc/83/92/64/358839264.db2.gz HMEMOSNEHUKKLE-LLVKDONJSA-N 0 3 219.288 0.758 20 0 BCADHN COC(=O)CCN1CCS[C@@H]2COCC[C@@H]21 ZINC000135538680 358843222 /nfs/dbraw/zinc/84/32/22/358843222.db2.gz DRGYZKNPYAFURQ-VHSXEESVSA-N 0 3 245.344 0.756 20 0 BCADHN C[C@@](CO)(NCCn1cncn1)c1ccccc1 ZINC000385511420 358844642 /nfs/dbraw/zinc/84/46/42/358844642.db2.gz NBCNDCFHACSHLE-ZDUSSCGKSA-N 0 3 246.314 0.775 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)N1CCOCC1 ZINC000139754325 358913796 /nfs/dbraw/zinc/91/37/96/358913796.db2.gz ZXNROZZYPAKDTF-SNVBAGLBSA-N 0 3 227.308 0.122 20 0 BCADHN CC1CCN(CCNCc2cn(C)nn2)CC1 ZINC000054860862 358877544 /nfs/dbraw/zinc/87/75/44/358877544.db2.gz CGUXDULAWKZNJT-UHFFFAOYSA-N 0 3 237.351 0.637 20 0 BCADHN C[C@H](O)CNCc1ccc(S(C)(=O)=O)s1 ZINC000578316657 366500344 /nfs/dbraw/zinc/50/03/44/366500344.db2.gz DWGGBWJKIRXLGC-ZETCQYMHSA-N 0 3 249.357 0.622 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H](C)CO)N(C)C ZINC000137780893 358900230 /nfs/dbraw/zinc/90/02/30/358900230.db2.gz ZUEMOHVQUMMQCG-BDAKNGLRSA-N 0 3 202.298 0.070 20 0 BCADHN CC[C@H]1CCCCN1CC(=O)N1CCNC1=O ZINC000057828249 358907401 /nfs/dbraw/zinc/90/74/01/358907401.db2.gz IXYWRKLCYCOIMT-JTQLQIEISA-N 0 3 239.319 0.803 20 0 BCADHN CC(C)Cn1nnnc1SCCN(C)C ZINC000057887613 358908200 /nfs/dbraw/zinc/90/82/00/358908200.db2.gz ZFRMDABEMIZMKM-UHFFFAOYSA-N 0 3 229.353 0.983 20 0 BCADHN CC(C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000061650422 358935942 /nfs/dbraw/zinc/93/59/42/358935942.db2.gz HFOSULDGRBIEQD-WDEREUQCSA-N 0 3 226.320 0.622 20 0 BCADHN NC(=O)C[C@@H]1CN(C[C@@H]2CCSC2)CCO1 ZINC000628475365 358948810 /nfs/dbraw/zinc/94/88/10/358948810.db2.gz PPHHSMNQWZTAFC-VHSXEESVSA-N 0 3 244.360 0.316 20 0 BCADHN NC(=O)C[C@H]1CN(C[C@@H]2CCSC2)CCO1 ZINC000628475364 358948822 /nfs/dbraw/zinc/94/88/22/358948822.db2.gz PPHHSMNQWZTAFC-UWVGGRQHSA-N 0 3 244.360 0.316 20 0 BCADHN CNC(=O)CN1CCC[C@@H]1CN1CCCCC1 ZINC000069607992 359029616 /nfs/dbraw/zinc/02/96/16/359029616.db2.gz ZFGHFEGUTPWCHG-GFCCVEGCSA-N 0 3 239.363 0.683 20 0 BCADHN COCCCNCc1cnc(N(C)C)n1C ZINC000069717978 359033024 /nfs/dbraw/zinc/03/30/24/359033024.db2.gz WOFXUYAVSCRBJG-UHFFFAOYSA-N 0 3 226.324 0.612 20 0 BCADHN CNCC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000069909602 359035910 /nfs/dbraw/zinc/03/59/10/359035910.db2.gz PSMUUHZQCLNMGE-HTQZYQBOSA-N 0 3 202.323 0.558 20 0 BCADHN CCCNC(=O)NC(=O)CN(CC)CC1CC1 ZINC000070012226 359037673 /nfs/dbraw/zinc/03/76/73/359037673.db2.gz IITIRQQHOXYXJM-UHFFFAOYSA-N 0 3 241.335 0.954 20 0 BCADHN CCN(CC(=O)NCCC(=O)OC)CC1CC1 ZINC000070013807 359039128 /nfs/dbraw/zinc/03/91/28/359039128.db2.gz SGQXAFXJQRKFMB-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN CN(C)c1ncc(CNCCn2cccn2)n1C ZINC000070143844 359042975 /nfs/dbraw/zinc/04/29/75/359042975.db2.gz BUGQEKUERQREEU-UHFFFAOYSA-N 0 3 248.334 0.472 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)CC[C@@H](C)O ZINC000158348554 359014005 /nfs/dbraw/zinc/01/40/05/359014005.db2.gz CRIUROYOUKCBAB-MWLCHTKSSA-N 0 3 216.325 0.733 20 0 BCADHN CC(C)COC[C@H](O)CNCc1ccnn1C ZINC000071138854 359072607 /nfs/dbraw/zinc/07/26/07/359072607.db2.gz GHIARHRWXPKLFM-GFCCVEGCSA-N 0 3 241.335 0.543 20 0 BCADHN Cn1nnnc1SCCN1CCCCC1 ZINC000071798008 359081989 /nfs/dbraw/zinc/08/19/89/359081989.db2.gz LUYFXBOMABDUDS-UHFFFAOYSA-N 0 3 227.337 0.788 20 0 BCADHN CC(C)[C@@H](C(=O)NCC(F)F)N(C)C ZINC000073157382 359096556 /nfs/dbraw/zinc/09/65/56/359096556.db2.gz JUGBOHKBBAABRD-QMMMGPOBSA-N 0 3 208.252 0.954 20 0 BCADHN CNC(=O)NC(=O)CN(C)[C@H]1CCC[C@H](C)C1 ZINC000073618803 359104126 /nfs/dbraw/zinc/10/41/26/359104126.db2.gz UUHHSWIOUVSXLK-UWVGGRQHSA-N 0 3 241.335 0.953 20 0 BCADHN COCCN(CC(=O)NC1CC1)CC(C)C ZINC000073616617 359104301 /nfs/dbraw/zinc/10/43/01/359104301.db2.gz CKUUEBPDCULAKF-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN COCCCCN(CC(N)=O)CC(C)C ZINC000074348617 359115771 /nfs/dbraw/zinc/11/57/71/359115771.db2.gz QYWWQICJXHVLAB-UHFFFAOYSA-N 0 3 216.325 0.856 20 0 BCADHN COCCN(C)CCN[C@H](C)c1cnccn1 ZINC000070479655 359056459 /nfs/dbraw/zinc/05/64/59/359056459.db2.gz ZVLFKQHGFNONFZ-LLVKDONJSA-N 0 3 238.335 0.705 20 0 BCADHN COC[C@@H](C)N1CCC(N(C)C(C)=O)CC1 ZINC000075676062 359188766 /nfs/dbraw/zinc/18/87/66/359188766.db2.gz UAULYSXOWQBRMI-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN CN(C)CCNC(=O)[C@H]1Cc2ccccc2O1 ZINC000074729403 359126456 /nfs/dbraw/zinc/12/64/56/359126456.db2.gz UCQLXOGTAYARIF-GFCCVEGCSA-N 0 3 234.299 0.668 20 0 BCADHN CCNS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000074971021 359137013 /nfs/dbraw/zinc/13/70/13/359137013.db2.gz KMSZMNLPSFZWNX-ZJUUUORDSA-N 0 3 247.364 0.009 20 0 BCADHN CNC(=O)NC(=O)CN1[C@H](C)CCC[C@@H]1C ZINC000075021213 359138539 /nfs/dbraw/zinc/13/85/39/359138539.db2.gz LJIHWXRCYMBKOT-DTORHVGOSA-N 0 3 227.308 0.705 20 0 BCADHN COC(=O)[C@@]1(C)CCN([C@H]2CCN(C)C2=O)C1 ZINC000246511248 359139710 /nfs/dbraw/zinc/13/97/10/359139710.db2.gz OSKZVZRYMBJQNM-CABZTGNLSA-N 0 3 240.303 0.102 20 0 BCADHN CC[C@@](C)(O)CNC(=O)CN(C)C(C)C ZINC000075225987 359139982 /nfs/dbraw/zinc/13/99/82/359139982.db2.gz QYIOKNSIZBVVML-LLVKDONJSA-N 0 3 216.325 0.604 20 0 BCADHN 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ZINC000237994430 360349175 /nfs/dbraw/zinc/34/91/75/360349175.db2.gz ADBMHQQGNYEKJY-UHFFFAOYSA-N 0 3 249.314 0.416 20 0 BCADHN CCOC(=O)COCCN(C)C[C@H]1CCCO1 ZINC000094805258 360320733 /nfs/dbraw/zinc/32/07/33/360320733.db2.gz BEDOKXCLDUSNAI-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN CN1CCC[C@@H](N2CCC(CO)CC2)C1=O ZINC000537601332 360368354 /nfs/dbraw/zinc/36/83/54/360368354.db2.gz ZKJZIWHYJMEYJX-LLVKDONJSA-N 0 3 226.320 0.312 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1CCC[C@@H](O)C1)N(C)C ZINC000247135964 325586989 /nfs/dbraw/zinc/58/69/89/325586989.db2.gz VWXWGDYFZXZERY-QJPTWQEYSA-N 0 3 242.363 0.994 20 0 BCADHN CCNC(=O)CCN1CCC[C@H](C(=O)OC)C1 ZINC000097989540 360386329 /nfs/dbraw/zinc/38/63/29/360386329.db2.gz FDZDNVGLOGOHLX-JTQLQIEISA-N 0 3 242.319 0.398 20 0 BCADHN CN1CCC(NC(=O)c2cncs2)CC1 ZINC000060313773 360441929 /nfs/dbraw/zinc/44/19/29/360441929.db2.gz ZMEWTOUQXLJWKS-UHFFFAOYSA-N 0 3 225.317 0.967 20 0 BCADHN CCN(CCN)C(=O)C(=O)Nc1ccccc1 ZINC000626855884 360415336 /nfs/dbraw/zinc/41/53/36/360415336.db2.gz IZJSVTZIKCXZGM-UHFFFAOYSA-N 0 3 235.287 0.432 20 0 BCADHN OCCNC1(c2ccc3c(c2)OCO3)CC1 ZINC000309471853 491149307 /nfs/dbraw/zinc/14/93/07/491149307.db2.gz ATHGXGZBNFQPFR-UHFFFAOYSA-N 0 3 221.256 0.986 20 0 BCADHN CO[C@@H]1CCC[C@@H](NCc2cn(C)nn2)C1 ZINC000309478595 491149385 /nfs/dbraw/zinc/14/93/85/491149385.db2.gz SJRYKWLEJSBALI-MWLCHTKSSA-N 0 3 224.308 0.862 20 0 BCADHN C[C@H]1C[C@H](CNCc2cn(C)nn2)CCO1 ZINC000381039385 360536077 /nfs/dbraw/zinc/53/60/77/360536077.db2.gz BXWLTEGNOISQGL-VHSXEESVSA-N 0 3 224.308 0.720 20 0 BCADHN NC(=O)Cn1cc(CN[C@H]2CCCC23CC3)nn1 ZINC000631191780 360559142 /nfs/dbraw/zinc/55/91/42/360559142.db2.gz IAKONDBUNQKULZ-JTQLQIEISA-N 0 3 249.318 0.186 20 0 BCADHN C[C@H]1C[C@H](C(=O)NC[C@H]2CCCN2C)CO1 ZINC000628647940 360592885 /nfs/dbraw/zinc/59/28/85/360592885.db2.gz IKSBTBVSVCCGHC-GARJFASQSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN2C)CO1 ZINC000628647941 360593085 /nfs/dbraw/zinc/59/30/85/360593085.db2.gz IKSBTBVSVCCGHC-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN Cc1c[nH]nc1C(=O)NC[C@H]1CCCN1C ZINC000628648083 360594663 /nfs/dbraw/zinc/59/46/63/360594663.db2.gz YFQOAINBFAYIMN-SECBINFHSA-N 0 3 222.292 0.542 20 0 BCADHN Cc1nc[nH]c1CC(=O)NC[C@H]1CCCN1C ZINC000628647969 360594877 /nfs/dbraw/zinc/59/48/77/360594877.db2.gz UEOPJXCUKQUHGC-SNVBAGLBSA-N 0 3 236.319 0.471 20 0 BCADHN NC(=O)c1cccc(CNC[C@@H](CO)C2CC2)c1 ZINC000353071431 181303099 /nfs/dbraw/zinc/30/30/99/181303099.db2.gz JORVYOFIMNAOQM-ZDUSSCGKSA-N 0 3 248.326 0.894 20 0 BCADHN NC(=O)c1cccc(CN2CC[C@H](CO)C2)c1 ZINC000051886916 181303842 /nfs/dbraw/zinc/30/38/42/181303842.db2.gz QRMZFMCGBGZCQK-NSHDSACASA-N 0 3 234.299 0.600 20 0 BCADHN NC(=O)c1cccc(CNCCc2cn[nH]c2)c1 ZINC000353210544 181302823 /nfs/dbraw/zinc/30/28/23/181302823.db2.gz MTRWBJOUIMFRFN-UHFFFAOYSA-N 0 3 244.298 0.841 20 0 BCADHN CCC[C@@H](O)[C@H](CO)NCc1ccc(=O)[nH]c1 ZINC000631162862 360638628 /nfs/dbraw/zinc/63/86/28/360638628.db2.gz YEWXIKOMUVEWMA-WDEREUQCSA-N 0 3 240.303 0.399 20 0 BCADHN CCC[C@H](O)[C@@H](CO)NCc1ccc(=O)[nH]c1 ZINC000631162858 360638783 /nfs/dbraw/zinc/63/87/83/360638783.db2.gz YEWXIKOMUVEWMA-MNOVXSKESA-N 0 3 240.303 0.399 20 0 BCADHN NC(=O)c1cccc(NC(=O)[C@@H]2CCCCN2)c1 ZINC000040854322 181304892 /nfs/dbraw/zinc/30/48/92/181304892.db2.gz XAIFTFLHEFUOSC-NSHDSACASA-N 0 3 247.298 0.866 20 0 BCADHN NC(=O)c1cccc(NC(=O)[C@H]2CCCCN2)c1 ZINC000040854324 181304997 /nfs/dbraw/zinc/30/49/97/181304997.db2.gz XAIFTFLHEFUOSC-LLVKDONJSA-N 0 3 247.298 0.866 20 0 BCADHN CC[C@@H](C(=O)NCC[C@@H](O)C(F)F)N(C)C ZINC000633999308 360719984 /nfs/dbraw/zinc/71/99/84/360719984.db2.gz MJIKOFGPUDUDSI-JGVFFNPUSA-N 0 3 238.278 0.459 20 0 BCADHN CCC(F)(F)CNC(=O)C(C)S(C)(=O)=O ZINC000628845991 360701389 /nfs/dbraw/zinc/70/13/89/360701389.db2.gz OJQSBICNZYZULX-LURJTMIESA-N 0 3 243.275 0.581 20 0 BCADHN NC(=O)c1ccccc1NC(=O)CNC1CC1 ZINC000037395015 181306695 /nfs/dbraw/zinc/30/66/95/181306695.db2.gz NUWJEQFRYDYONH-UHFFFAOYSA-N 0 3 233.271 0.476 20 0 BCADHN CN(C)[C@H]1CN(C(=O)CCC2CC2)C[C@@H]1O ZINC000552158451 325601817 /nfs/dbraw/zinc/60/18/17/325601817.db2.gz TZMYWBVJOGVNKL-QWRGUYRKSA-N 0 3 226.320 0.310 20 0 BCADHN CNCCN(C)S(=O)(=O)CC1CCC1 ZINC000379703407 360755683 /nfs/dbraw/zinc/75/56/83/360755683.db2.gz DIASBDQEPVWMLX-UHFFFAOYSA-N 0 3 220.338 0.268 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cn[nH]c1 ZINC000309548673 491151086 /nfs/dbraw/zinc/15/10/86/491151086.db2.gz HMJWTNMJVINHTE-ZJUUUORDSA-N 0 3 222.292 0.414 20 0 BCADHN CC[C@H](N[C@@H](COC)[C@H]1CCCO1)C(N)=O ZINC000309547911 491151107 /nfs/dbraw/zinc/15/11/07/491151107.db2.gz HJFJKUFTDASEGN-LPEHRKFASA-N 0 3 230.308 0.034 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000634034166 360780648 /nfs/dbraw/zinc/78/06/48/360780648.db2.gz XQTFMQABNLZWNW-BCMRRPTOSA-N 0 3 237.303 0.943 20 0 BCADHN NC(=O)c1csc(CNCCCO)c1 ZINC000086573573 181311196 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/nfs/dbraw/zinc/06/63/02/361066302.db2.gz BMLCBLWKHRINGE-JTQLQIEISA-N 0 3 249.314 0.745 20 0 BCADHN CN1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000629450809 361076554 /nfs/dbraw/zinc/07/65/54/361076554.db2.gz CNIZDQAEXLSVEI-UKKRHICBSA-N 0 3 224.304 0.089 20 0 BCADHN CCn1cnc(C(=O)NC[C@@H]2CCCN2C)c1 ZINC000629452970 361077939 /nfs/dbraw/zinc/07/79/39/361077939.db2.gz ZYKPOWWDILKDSR-JTQLQIEISA-N 0 3 236.319 0.727 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@H]1CCCCN1 ZINC000157445086 361082531 /nfs/dbraw/zinc/08/25/31/361082531.db2.gz YQTDQPNHHLEVAR-NXEZZACHSA-N 0 3 214.309 0.406 20 0 BCADHN CCN(CC(=O)N(C)C1CC1)C[C@@H]1CCOC1 ZINC000067457874 370671621 /nfs/dbraw/zinc/67/16/21/370671621.db2.gz JQSZSBHJNMNOMR-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCN(CCNC(=O)CCOC)C1CC1 ZINC000066101160 361135571 /nfs/dbraw/zinc/13/55/71/361135571.db2.gz UYQDBTFSSXTADS-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN O=C(Nc1ccccn1)N1CCCNCC1 ZINC000169847257 361161703 /nfs/dbraw/zinc/16/17/03/361161703.db2.gz GFOKKKZELWMLSQ-UHFFFAOYSA-N 0 3 220.276 0.909 20 0 BCADHN CCn1nnc(C)c1CNCC[C@H](O)C(F)F ZINC000631216113 361159732 /nfs/dbraw/zinc/15/97/32/361159732.db2.gz KCDFUHZOKVNILT-VIFPVBQESA-N 0 3 248.277 0.712 20 0 BCADHN NC1(C(=O)NCCOc2cccc(F)c2)CC1 ZINC000237794219 181325349 /nfs/dbraw/zinc/32/53/49/181325349.db2.gz FTIKZDHJMQZPDV-UHFFFAOYSA-N 0 3 238.262 0.812 20 0 BCADHN Cn1cc(CNCC[C@H](O)C(F)F)cn1 ZINC000631218129 361178153 /nfs/dbraw/zinc/17/81/53/361178153.db2.gz ALSBTQQDAYAHBL-QMMMGPOBSA-N 0 3 219.235 0.526 20 0 BCADHN NC1(C(=O)NC[C@@H]2COCCO2)CCCCC1 ZINC000038062242 181325399 /nfs/dbraw/zinc/32/53/99/181325399.db2.gz FBTOIXAQADXBIV-SNVBAGLBSA-N 0 3 242.319 0.180 20 0 BCADHN NC1(C(=O)NC[C@@H](CCO)c2ccccc2)CC1 ZINC000262660915 181325416 /nfs/dbraw/zinc/32/54/16/181325416.db2.gz ZGHPDTVAFPIULY-GFCCVEGCSA-N 0 3 248.326 0.760 20 0 BCADHN NC1(C(=O)NC[C@@H](O)c2ccccc2)CC1 ZINC000083350432 181325657 /nfs/dbraw/zinc/32/56/57/181325657.db2.gz PNQHWNKEYDUVLQ-SNVBAGLBSA-N 0 3 220.272 0.328 20 0 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0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@]12C[C@H]1CCC2 ZINC000614858611 364013889 /nfs/dbraw/zinc/01/38/89/364013889.db2.gz PZYKDQNULFEVAO-CKYFFXLPSA-N 0 3 226.320 0.215 20 0 BCADHN C[C@@H](C(=O)N[C@H](CO)CN(C)C)C(C)(F)F ZINC000614842103 363989995 /nfs/dbraw/zinc/98/99/95/363989995.db2.gz JDCVPPVLEHAURL-YUMQZZPRSA-N 0 3 238.278 0.316 20 0 BCADHN NCC(=O)N[C@H]1COc2c1cccc2Cl ZINC000372037243 181355185 /nfs/dbraw/zinc/35/51/85/181355185.db2.gz KJZCEZSYKIGDBQ-QMMMGPOBSA-N 0 3 226.663 0.848 20 0 BCADHN NCC(=O)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000237984818 181354967 /nfs/dbraw/zinc/35/49/67/181354967.db2.gz VCIPVCQXRJOWKL-JQWIXIFHSA-N 0 3 220.272 0.592 20 0 BCADHN COc1cncc(C(=O)NCCN(C)C)c1C ZINC000630409076 364141555 /nfs/dbraw/zinc/14/15/55/364141555.db2.gz BSZRKHJNTJMCIU-UHFFFAOYSA-N 0 3 237.303 0.690 20 0 BCADHN CCNC(=O)c1cnn(CCN(C)C)c1 ZINC000630409265 364141756 /nfs/dbraw/zinc/14/17/56/364141756.db2.gz KDSQUQSFAQDRCP-UHFFFAOYSA-N 0 3 210.281 0.194 20 0 BCADHN COC(=O)CCNC(=O)CN(C)CCC(C)C ZINC000079917707 370704757 /nfs/dbraw/zinc/70/47/57/370704757.db2.gz FXOGVKYPWYYBOZ-UHFFFAOYSA-N 0 3 244.335 0.644 20 0 BCADHN CCN(CC)CC(=O)NC[C@H](C)N1CCCC1 ZINC000068064429 370735293 /nfs/dbraw/zinc/73/52/93/370735293.db2.gz HTHNFAMSYFZNGB-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN C[C@@H](N[C@H]1CN(C)C[C@H]1C)[C@@H](O)C(F)(F)F ZINC000631719884 364187079 /nfs/dbraw/zinc/18/70/79/364187079.db2.gz POZIUZRGLNVTRG-LURQLKTLSA-N 0 3 240.269 0.838 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCC[C@H]1C ZINC000250668977 364238705 /nfs/dbraw/zinc/23/87/05/364238705.db2.gz KKQJMWSLJIQRIL-NXEZZACHSA-N 0 3 215.293 0.785 20 0 BCADHN CN1CCC(NC(=O)CC2CSC2)CC1 ZINC000630563342 364262247 /nfs/dbraw/zinc/26/22/47/364262247.db2.gz HWHAUEPQCGRYAT-UHFFFAOYSA-N 0 3 228.361 0.950 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H](N)C2CCC2)[C@@H](C)O1 ZINC000398950969 364277769 /nfs/dbraw/zinc/27/77/69/364277769.db2.gz DIIDESKMSIRIMR-DEKFOEGESA-N 0 3 226.320 0.796 20 0 BCADHN CCCCn1cc(Cn2cc(CN)cn2)nn1 ZINC000630587461 364294021 /nfs/dbraw/zinc/29/40/21/364294021.db2.gz JMFGEFZNAGYOJK-UHFFFAOYSA-N 0 3 234.307 0.782 20 0 BCADHN COC[C@H](N)Cc1cn(CC(C)C)nn1 ZINC000630587626 364295437 /nfs/dbraw/zinc/29/54/37/364295437.db2.gz MCZZVHNVQQAMOD-SECBINFHSA-N 0 3 212.297 0.450 20 0 BCADHN COC[C@@H](N)Cc1cn(CC2CC2)nn1 ZINC000630594661 364308274 /nfs/dbraw/zinc/30/82/74/364308274.db2.gz GSIWSAMFZDHBCS-VIFPVBQESA-N 0 3 210.281 0.204 20 0 BCADHN COC[C@H](N)Cc1cn(C2CCCC2)nn1 ZINC000630595596 364309711 /nfs/dbraw/zinc/30/97/11/364309711.db2.gz QIXRHVYLCBGQDZ-SECBINFHSA-N 0 3 224.308 0.909 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CCO[C@H]1C ZINC000134540788 364405817 /nfs/dbraw/zinc/40/58/17/364405817.db2.gz ZFGDMWVRAYZKRL-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@H](O)CN[C@](C)(COC)CC(=O)OC ZINC000134034996 364384164 /nfs/dbraw/zinc/38/41/64/364384164.db2.gz WDJKOQNHJKZVEA-ONGXEEELSA-N 0 3 233.308 0.315 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)[C@H]1CCOC1 ZINC000134273657 364396942 /nfs/dbraw/zinc/39/69/42/364396942.db2.gz KWTNDKFNGCKXGS-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000134257785 364396955 /nfs/dbraw/zinc/39/69/55/364396955.db2.gz NFLIJWUOVKEWMS-HRDYMLBCSA-N 0 3 232.349 0.360 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000134259548 364397238 /nfs/dbraw/zinc/39/72/38/364397238.db2.gz KZNUHUQZMZXGFV-KXUCPTDWSA-N 0 3 214.309 0.798 20 0 BCADHN CCCC[C@H](N)C(=O)N(C)[C@@H]1CCOC1 ZINC000134273604 364397280 /nfs/dbraw/zinc/39/72/80/364397280.db2.gz KWTNDKFNGCKXGS-ZJUUUORDSA-N 0 3 214.309 0.751 20 0 BCADHN COCCCCNC(=O)NCCN(C)C ZINC000133439988 364348188 /nfs/dbraw/zinc/34/81/88/364348188.db2.gz WGAWDRFZJAFZBH-UHFFFAOYSA-N 0 3 217.313 0.274 20 0 BCADHN Cc1csc(CNCCCOCCO)n1 ZINC000134667209 364409942 /nfs/dbraw/zinc/40/99/42/364409942.db2.gz KFQSSTMZGMLZSM-UHFFFAOYSA-N 0 3 230.333 0.940 20 0 BCADHN Cc1ncc(CNCCCOCCO)s1 ZINC000134669144 364409973 /nfs/dbraw/zinc/40/99/73/364409973.db2.gz KRXYUPOEJXQTBE-UHFFFAOYSA-N 0 3 230.333 0.940 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NC[C@]1(O)CCOC1 ZINC000134596410 541358486 /nfs/dbraw/zinc/35/84/86/541358486.db2.gz JMRLDVRGHXQLIN-LDYMZIIASA-N 0 3 225.292 0.520 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@@]1(O)CCOC1 ZINC000134596472 541358597 /nfs/dbraw/zinc/35/85/97/541358597.db2.gz JMRLDVRGHXQLIN-KWQFWETISA-N 0 3 225.292 0.520 20 0 BCADHN CCOC[C@@H](C)N[C@H](C(=O)NC)C(C)C ZINC000134830171 364415340 /nfs/dbraw/zinc/41/53/40/364415340.db2.gz ZDSDMRNLZAGNFH-ZJUUUORDSA-N 0 3 216.325 0.772 20 0 BCADHN CN(CCCO)C(=O)CN1CCC(C)(C)C1 ZINC000579493148 366832206 /nfs/dbraw/zinc/83/22/06/366832206.db2.gz AGRCSCCHCVESHB-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN OCCCN[C@]1(CO)CCc2ccccc21 ZINC000136178309 364463386 /nfs/dbraw/zinc/46/33/86/364463386.db2.gz VSWYXSBQLPECLN-ZDUSSCGKSA-N 0 3 221.300 0.792 20 0 BCADHN C[C@H](CNC(=O)C1CSC1)N(C)C ZINC000630715216 364492686 /nfs/dbraw/zinc/49/26/86/364492686.db2.gz DNXZHNJCYRRYDT-SSDOTTSWSA-N 0 3 202.323 0.416 20 0 BCADHN O=C(CC[NH2+]C1CC1)NCc1ncccc1[O-] ZINC000580725815 366854658 /nfs/dbraw/zinc/85/46/58/366854658.db2.gz WJANHOUKZAFWQQ-UHFFFAOYSA-N 0 3 235.287 0.546 20 0 BCADHN COC(=O)CCN1CCN(CC2CC2)[C@H](C)C1 ZINC000182094470 366866021 /nfs/dbraw/zinc/86/60/21/366866021.db2.gz OCBVOZSQMTZCGY-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2COCC[C@H]2O)[C@@H](C)O1 ZINC000631271704 364551700 /nfs/dbraw/zinc/55/17/00/364551700.db2.gz GKXZEXVSQOACLP-KAMPLNKDSA-N 0 3 215.293 0.292 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H]2COCC[C@H]2O)CO1 ZINC000631271800 364553740 /nfs/dbraw/zinc/55/37/40/364553740.db2.gz IQLLGJCATSWRCE-GWOFURMSSA-N 0 3 215.293 0.293 20 0 BCADHN CN(CCNC(=O)C1CSC1)C1CC1 ZINC000630823751 364579717 /nfs/dbraw/zinc/57/97/17/364579717.db2.gz NXPZZECKFNDQEN-UHFFFAOYSA-N 0 3 214.334 0.560 20 0 BCADHN CC[C@@H](O)CN1CCN2CCCC[C@H]2C1 ZINC000246421232 364592687 /nfs/dbraw/zinc/59/26/87/364592687.db2.gz FZDHDAYZLYJYNJ-NWDGAFQWSA-N 0 3 212.337 0.927 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)CCCF)[C@@H]2C1 ZINC000615181818 364604925 /nfs/dbraw/zinc/60/49/25/364604925.db2.gz DDSKCEUPPUKDSI-VHSXEESVSA-N 0 3 214.284 0.899 20 0 BCADHN CN1C[C@H]2CCN(C(=O)CCCF)[C@@H]2C1 ZINC000615181777 364604965 /nfs/dbraw/zinc/60/49/65/364604965.db2.gz DDSKCEUPPUKDSI-NXEZZACHSA-N 0 3 214.284 0.899 20 0 BCADHN CCn1cnc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000615185669 364613923 /nfs/dbraw/zinc/61/39/23/364613923.db2.gz WNWNNIMJKGFXFJ-PWSUYJOCSA-N 0 3 248.330 0.679 20 0 BCADHN COc1cccnc1C(=O)NCCN(C)C1CC1 ZINC000630823382 364578283 /nfs/dbraw/zinc/57/82/83/364578283.db2.gz JMJLDWDDBLGRKG-UHFFFAOYSA-N 0 3 249.314 0.914 20 0 BCADHN CCO[C@@H](C(=O)N[C@@H](CO)CN(C)C)C(C)C ZINC000627275643 364675210 /nfs/dbraw/zinc/67/52/10/364675210.db2.gz OEFPUAJRMMCMMV-GHMZBOCLSA-N 0 3 246.351 0.086 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000573367203 364803413 /nfs/dbraw/zinc/80/34/13/364803413.db2.gz MPKHXQXTJCPFKW-KYXWUPHJSA-N 0 3 212.293 0.407 20 0 BCADHN COc1ncccc1CN[C@@H](C)[C@H](C)O ZINC000087128172 364751924 /nfs/dbraw/zinc/75/19/24/364751924.db2.gz XWSLTILAGIZZDI-IUCAKERBSA-N 0 3 210.277 0.949 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@H]2CSCN2)C1 ZINC000166382816 364786738 /nfs/dbraw/zinc/78/67/38/364786738.db2.gz OGDTZUNTFXOYIE-VHSXEESVSA-N 0 3 243.376 0.107 20 0 BCADHN CCC[C@H](C)[C@@H](CO)NCC(=O)NC(C)C ZINC000573497309 364848539 /nfs/dbraw/zinc/84/85/39/364848539.db2.gz WPBVANBTYTWTIQ-WDEREUQCSA-N 0 3 230.352 0.898 20 0 BCADHN CCN1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000573503207 364850204 /nfs/dbraw/zinc/85/02/04/364850204.db2.gz KSEWIZYDDCTKCT-LBPRGKRZSA-N 0 3 239.363 0.492 20 0 BCADHN C[C@@H]1C[C@H](C)N1C[C@@H](O)CN1CCN(C)CC1 ZINC000573417366 364826626 /nfs/dbraw/zinc/82/66/26/364826626.db2.gz RZDCYFMXNCJDTJ-XQQFMLRXSA-N 0 3 241.379 0.077 20 0 BCADHN Cc1ccc(CC(=O)NC[C@@H]2CNCCO2)cn1 ZINC000573443394 364834198 /nfs/dbraw/zinc/83/41/98/364834198.db2.gz KBFNISKVVXBRAR-LBPRGKRZSA-N 0 3 249.314 0.037 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cnccc1-n1ccnc1 ZINC000573449288 364836646 /nfs/dbraw/zinc/83/66/46/364836646.db2.gz PUSCJIKTVCQUPC-SECBINFHSA-N 0 3 245.286 0.943 20 0 BCADHN CC[C@H]1CN(C)CCCN1C(=O)COC ZINC000234112529 541389092 /nfs/dbraw/zinc/38/90/92/541389092.db2.gz PLJVZAMNJYCWSQ-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN Cc1nnc(NC(=O)[C@H]2CCCCN2)n1C ZINC000573609884 364873878 /nfs/dbraw/zinc/87/38/78/364873878.db2.gz LTEKGOTVEUNNNG-MRVPVSSYSA-N 0 3 223.280 0.204 20 0 BCADHN CO[C@H](C)CN(C)[C@H]1CCC(=O)N(C)C1 ZINC000573622191 364878569 /nfs/dbraw/zinc/87/85/69/364878569.db2.gz ZXPCSGBQKVNORE-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN CN(C(=O)CN[C@@H]1C[C@@H](O)C1(C)C)C1CC1 ZINC000168224546 364883403 /nfs/dbraw/zinc/88/34/03/364883403.db2.gz IGILSJLIAUFNLA-NXEZZACHSA-N 0 3 226.320 0.356 20 0 BCADHN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)[C@H]1C[C@H](F)CN1 ZINC000573800027 364917434 /nfs/dbraw/zinc/91/74/34/364917434.db2.gz PQZYLQFHEBMZMK-LXUNUROVSA-N 0 3 242.294 0.370 20 0 BCADHN CC[C@@H](C(=O)NCCN1CCCC1=O)N(C)C ZINC000573735193 364904622 /nfs/dbraw/zinc/90/46/22/364904622.db2.gz CZWDLRMDPWHJJS-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN C[C@@H](CO)N(C)C(=O)CN1CC[C@H](C)C1 ZINC000573740819 364906392 /nfs/dbraw/zinc/90/63/92/364906392.db2.gz IWRKGFFAVVFEMZ-UWVGGRQHSA-N 0 3 214.309 0.167 20 0 BCADHN CO[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000573710654 364898672 /nfs/dbraw/zinc/89/86/72/364898672.db2.gz RECGTDLOUWOMRN-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CN[C@@H](C)C(=O)Nc1c[nH]c(=O)cc1C ZINC000573814550 364920880 /nfs/dbraw/zinc/92/08/80/364920880.db2.gz GRWLXVHRNBMRFM-ZETCQYMHSA-N 0 3 209.249 0.642 20 0 BCADHN Cn1ccc(CNC[C@@H]2CCN(C)C(=O)C2)n1 ZINC000573831804 364926592 /nfs/dbraw/zinc/92/65/92/364926592.db2.gz KFTOJUYERUUZHH-SNVBAGLBSA-N 0 3 236.319 0.378 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000573919643 364945272 /nfs/dbraw/zinc/94/52/72/364945272.db2.gz PTPALPUDQUDDHO-OJAKKHQRSA-N 0 3 240.347 0.473 20 0 BCADHN CC1(CN2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC000573903930 364940848 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LBTSTEPJYWSGGA-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H]1CCC(C)(C)O1 ZINC000579949344 367097604 /nfs/dbraw/zinc/09/76/04/367097604.db2.gz JJPTXEGYBBTCOP-HBNTYKKESA-N 0 3 229.320 0.947 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)Cc1cnccn1 ZINC000579953659 367100829 /nfs/dbraw/zinc/10/08/29/367100829.db2.gz BBLIIGODTHCAHG-SECBINFHSA-N 0 3 234.303 0.576 20 0 BCADHN COCCCCN(C)[C@@H]1CCCN(C)C1=O ZINC000580883335 367196156 /nfs/dbraw/zinc/19/61/56/367196156.db2.gz SBPKBKJRZZPWOH-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC(C)(O)CCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000581108061 367263262 /nfs/dbraw/zinc/26/32/62/367263262.db2.gz ZETJPMOTGVHJFQ-JTQLQIEISA-N 0 3 240.347 0.890 20 0 BCADHN Cn1nccc1[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1N ZINC000581138678 367275144 /nfs/dbraw/zinc/27/51/44/367275144.db2.gz POXBQHVPIVEXPN-SCVCMEIPSA-N 0 3 248.330 0.821 20 0 BCADHN CN1CCN(C[C@@H]2COCCO2)CC1(C)C ZINC000581141199 367276411 /nfs/dbraw/zinc/27/64/11/367276411.db2.gz WJGVULSVQUAKSA-LLVKDONJSA-N 0 3 228.336 0.428 20 0 BCADHN CC(C)(CNC[C@@H](O)C(F)(F)F)OCCO ZINC000380682878 367278230 /nfs/dbraw/zinc/27/82/30/367278230.db2.gz GUXGDYCMTRMNQG-SSDOTTSWSA-N 0 3 245.241 0.287 20 0 BCADHN CN(CCCO)CCOC[C@@H]1CCCO1 ZINC000580990728 367227203 /nfs/dbraw/zinc/22/72/03/367227203.db2.gz YGAUTBNVWNCAHB-NSHDSACASA-N 0 3 217.309 0.496 20 0 BCADHN CC[C@@H](CN1CC(C)(C(N)=O)C1)OC ZINC000581009672 367234606 /nfs/dbraw/zinc/23/46/06/367234606.db2.gz RRYSWCLOAHFOGS-QMMMGPOBSA-N 0 3 200.282 0.219 20 0 BCADHN CN1CCC[C@H](CNC(=O)Nc2ccncn2)C1 ZINC000194109792 367248892 /nfs/dbraw/zinc/24/88/92/367248892.db2.gz ISEUSZWVSAIHMM-SNVBAGLBSA-N 0 3 249.318 0.940 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCO[C@H](C)[C@H]1C ZINC000380597202 367249556 /nfs/dbraw/zinc/24/95/56/367249556.db2.gz YCMCZXQKRUUFGP-IVZWLZJFSA-N 0 3 226.320 0.763 20 0 BCADHN CCNC(=O)CCN1CCN([C@H](C)CC)CC1 ZINC000581259719 367311637 /nfs/dbraw/zinc/31/16/37/367311637.db2.gz SBEUOEJTBSBGCL-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CN(C)CCNC(=O)Nc1ccc(=O)n(C)c1 ZINC000194725794 367320104 /nfs/dbraw/zinc/32/01/04/367320104.db2.gz OUSDZJGEWCWIIC-UHFFFAOYSA-N 0 3 238.291 0.068 20 0 BCADHN C/C=C/C=C\C(=O)NC[C@@](C)(O)CN(C)C ZINC000380868660 367320645 /nfs/dbraw/zinc/32/06/45/367320645.db2.gz FXBOHLZFRDKNNH-GUYSKMSSSA-N 0 3 226.320 0.548 20 0 BCADHN CN(C[C@@H]1CCCN1C)c1nccn2nnnc12 ZINC000581363364 367393072 /nfs/dbraw/zinc/39/30/72/367393072.db2.gz TUWMZBUHUJEXAF-VIFPVBQESA-N 0 3 247.306 0.050 20 0 BCADHN COc1ccc([O-])c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000381416851 367398006 /nfs/dbraw/zinc/39/80/06/367398006.db2.gz ZNXNXTYIMJBVNM-SFYZADRCSA-N 0 3 238.287 0.866 20 0 BCADHN CC[C@@H](NCc1cnc(C)n1C)[C@H](C)O ZINC000565314861 325895581 /nfs/dbraw/zinc/89/55/81/325895581.db2.gz NMRYRBCEHXIWMY-GZMMTYOYSA-N 0 3 211.309 0.978 20 0 BCADHN Cc1n[nH]c(CCN[C@H](C)c2ncc[nH]2)n1 ZINC000381482086 367416048 /nfs/dbraw/zinc/41/60/48/367416048.db2.gz SZLNKXPDTFDVCQ-SSDOTTSWSA-N 0 3 220.280 0.730 20 0 BCADHN Cc1nc(CCN[C@H](C)c2ncc[nH]2)n[nH]1 ZINC000381482086 367416057 /nfs/dbraw/zinc/41/60/57/367416057.db2.gz SZLNKXPDTFDVCQ-SSDOTTSWSA-N 0 3 220.280 0.730 20 0 BCADHN O[C@@H]1CN(C[C@@H]2CCCCC2(F)F)C[C@@H]1O ZINC000381490125 367417878 /nfs/dbraw/zinc/41/78/78/367417878.db2.gz HEGAQAZVSUJZGG-LPEHRKFASA-N 0 3 235.274 0.849 20 0 BCADHN C[C@@H]1COCC[C@H]1CNCc1cnnn1C ZINC000381512306 367422086 /nfs/dbraw/zinc/42/20/86/367422086.db2.gz RLDZJSULTGCXIK-ZJUUUORDSA-N 0 3 224.308 0.577 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccccc1CO ZINC000381180435 367359592 /nfs/dbraw/zinc/35/95/92/367359592.db2.gz WEGDAOWZVBQGPF-MRVPVSSYSA-N 0 3 208.261 0.142 20 0 BCADHN CC[C@@H](N)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000381206246 367365273 /nfs/dbraw/zinc/36/52/73/367365273.db2.gz GGQCMIKIBGAXDV-NQMVMOMDSA-N 0 3 214.309 0.796 20 0 BCADHN C[C@H]1CCN(CCNCc2cnn(C)c2)C1 ZINC000381269087 367371436 /nfs/dbraw/zinc/37/14/36/367371436.db2.gz VBZROZLGLRQBDV-NSHDSACASA-N 0 3 222.336 0.852 20 0 BCADHN C[C@H]1CCN(CCNCc2cn(C)nn2)C1 ZINC000381268579 367371533 /nfs/dbraw/zinc/37/15/33/367371533.db2.gz UWFSUKAICYLNJK-JTQLQIEISA-N 0 3 223.324 0.247 20 0 BCADHN C[C@H](N)C(=O)NCc1ccccc1CO ZINC000381273299 367373664 /nfs/dbraw/zinc/37/36/64/367373664.db2.gz WEGDAOWZVBQGPF-QMMMGPOBSA-N 0 3 208.261 0.142 20 0 BCADHN CCNC(=O)CN1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000581437130 367471608 /nfs/dbraw/zinc/47/16/08/367471608.db2.gz BLEHJVAYFXODHL-WDEREUQCSA-N 0 3 225.336 0.291 20 0 BCADHN CC(C)OC[C@H](C)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000382016831 367478297 /nfs/dbraw/zinc/47/82/97/367478297.db2.gz OLZGSQQTCQFJMV-GARJFASQSA-N 0 3 249.376 0.823 20 0 BCADHN FC(F)[C@@H]1CNCCN1Cc1cc[nH]n1 ZINC000381637310 367442130 /nfs/dbraw/zinc/44/21/30/367442130.db2.gz XDEPVFUJFIXWNS-QMMMGPOBSA-N 0 3 216.235 0.449 20 0 BCADHN N[C@@H](CC(=O)Nc1nc[nH]n1)Cc1ccccc1 ZINC000581426668 367466322 /nfs/dbraw/zinc/46/63/22/367466322.db2.gz CGERFJYJPCKYDD-SNVBAGLBSA-N 0 3 245.286 0.703 20 0 BCADHN CCn1cc([C@H](C)NC[C@](C)(O)COC)cn1 ZINC000382562157 367540001 /nfs/dbraw/zinc/54/00/01/367540001.db2.gz LSIKLOMLKIOSGZ-JQWIXIFHSA-N 0 3 241.335 0.951 20 0 BCADHN COC[C@@](C)(O)CN[C@@H](C)c1nccnc1C ZINC000382581124 367543097 /nfs/dbraw/zinc/54/30/97/367543097.db2.gz VWIKYTAQPJDLKV-JQWIXIFHSA-N 0 3 239.319 0.833 20 0 BCADHN CC[C@@H](O)CN1CCC[C@H](N2CCOCC2)C1 ZINC000382729640 367554745 /nfs/dbraw/zinc/55/47/45/367554745.db2.gz JZNLEWUVDHUYJW-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H](O)CCN1CCC[C@@H](N2CCOCC2)C1 ZINC000382732454 367555265 /nfs/dbraw/zinc/55/52/65/367555265.db2.gz KQBZDFVMLOABKM-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)C1CC(O)C1 ZINC000581487397 367518566 /nfs/dbraw/zinc/51/85/66/367518566.db2.gz LSZIFLKDYBLALG-NWGYLPEXSA-N 0 3 214.309 0.486 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000382928869 367569018 /nfs/dbraw/zinc/56/90/18/367569018.db2.gz FERBFNCFJAKVIQ-QXEWZRGKSA-N 0 3 226.320 0.811 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCc1ccncc1 ZINC000382933843 367569890 /nfs/dbraw/zinc/56/98/90/367569890.db2.gz GPBWDCAPEHPYKT-VIFPVBQESA-N 0 3 219.288 0.838 20 0 BCADHN COC[C@@H]1CCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000382932763 367569990 /nfs/dbraw/zinc/56/99/90/367569990.db2.gz GIFTZVFOOPPIHR-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN COCC(C)(C)NC(=O)[C@@H](C)NC1CC1 ZINC000382930992 367568028 /nfs/dbraw/zinc/56/80/28/367568028.db2.gz FSTRLCUOHVFWEZ-MRVPVSSYSA-N 0 3 214.309 0.668 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1ccc(F)cc1F ZINC000581542674 367568896 /nfs/dbraw/zinc/56/88/96/367568896.db2.gz BLDHFFAKAWUUGM-GXSJLCMTSA-N 0 3 240.253 0.971 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@H](C)NC1CC1 ZINC000382978612 367578214 /nfs/dbraw/zinc/57/82/14/367578214.db2.gz TWCZTFLPFFLQCV-VIFPVBQESA-N 0 3 241.335 0.159 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@@H](C)NC1CC1)C(C)C ZINC000382984571 367579771 /nfs/dbraw/zinc/57/97/71/367579771.db2.gz VJGJZAMSEOGIMD-SCZZXKLOSA-N 0 3 242.319 0.441 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000382986872 367581121 /nfs/dbraw/zinc/58/11/21/367581121.db2.gz WIKSQNZHJHOMQB-YUMQZZPRSA-N 0 3 222.292 0.727 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@@H](C)NC1CC1 ZINC000382998171 367583109 /nfs/dbraw/zinc/58/31/09/367583109.db2.gz BDRJJIULNSLZFK-JGVFFNPUSA-N 0 3 200.282 0.278 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCc1nccn1C ZINC000382959980 367573088 /nfs/dbraw/zinc/57/30/88/367573088.db2.gz OFCBAXHVGGNOEC-QMMMGPOBSA-N 0 3 222.292 0.177 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@@H](C)NC2CC2)C1 ZINC000382957959 367573128 /nfs/dbraw/zinc/57/31/28/367573128.db2.gz NPBHWLANKDFPDF-KOLCDFICSA-N 0 3 226.320 0.764 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)[C@@H](C)NC1CC1 ZINC000382960731 367573570 /nfs/dbraw/zinc/57/35/70/367573570.db2.gz OJNGIBLRFVPWQH-RKDXNWHRSA-N 0 3 242.319 0.394 20 0 BCADHN CCN1CCC[C@H](NC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000382974681 367577152 /nfs/dbraw/zinc/57/71/52/367577152.db2.gz SEAIPOPLFGQNEC-PWSUYJOCSA-N 0 3 239.363 0.727 20 0 BCADHN CCN1CCC[C@H](NC(=O)[C@@H](C)NC2CC2)C1 ZINC000382974681 367577155 /nfs/dbraw/zinc/57/71/55/367577155.db2.gz SEAIPOPLFGQNEC-PWSUYJOCSA-N 0 3 239.363 0.727 20 0 BCADHN COC(=O)CCN1CC[C@@H](SC)C1 ZINC000383037626 367589205 /nfs/dbraw/zinc/58/92/05/367589205.db2.gz LYVFXZDQBVCTFH-MRVPVSSYSA-N 0 3 203.307 0.987 20 0 BCADHN C[C@H](NC1CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000383087465 367595208 /nfs/dbraw/zinc/59/52/08/367595208.db2.gz VBDPTDMIBXFKTK-QMMMGPOBSA-N 0 3 247.298 0.865 20 0 BCADHN CCn1nncc1CNC[C@@]1(O)CCC[C@H]1C ZINC000581597581 367623624 /nfs/dbraw/zinc/62/36/24/367623624.db2.gz DFJPCIPADQUNFZ-PWSUYJOCSA-N 0 3 238.335 0.939 20 0 BCADHN COc1ccc(CNCCCNC(C)=O)cn1 ZINC000383498054 367628759 /nfs/dbraw/zinc/62/87/59/367628759.db2.gz WOHOJUSZNNPACK-UHFFFAOYSA-N 0 3 237.303 0.706 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000383303927 367612121 /nfs/dbraw/zinc/61/21/21/367612121.db2.gz HVRKIVVRPCKYSV-HOSYDEDBSA-N 0 3 240.347 0.794 20 0 BCADHN C[C@H](C[S@](C)=O)NC(=O)[C@@H](C)NC1CC1 ZINC000383397233 367619818 /nfs/dbraw/zinc/61/98/18/367619818.db2.gz RWGNJVSZGSGWLW-PISXGGPESA-N 0 3 232.349 0.010 20 0 BCADHN CCC[C@@H](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000581635069 367644857 /nfs/dbraw/zinc/64/48/57/367644857.db2.gz QQEVGRHNSVEUHU-WOPDTQHZSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@H](CN1C[C@@H](O)[C@H](O)C1)c1ccccc1 ZINC000384301791 367682957 /nfs/dbraw/zinc/68/29/57/367682957.db2.gz JDMIIDJXXGKHHI-RAIGVLPGSA-N 0 3 221.300 0.828 20 0 BCADHN NC(=O)Nc1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000384738044 367723054 /nfs/dbraw/zinc/72/30/54/367723054.db2.gz BNQPSVCXDJEHKX-SECBINFHSA-N 0 3 234.259 0.478 20 0 BCADHN COC(=O)c1cccc(NC(=O)[C@H]2CCN2)c1 ZINC000384827612 367737374 /nfs/dbraw/zinc/73/73/74/367737374.db2.gz YDTJEISOSJJWGH-SNVBAGLBSA-N 0 3 234.255 0.774 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000384880392 367748942 /nfs/dbraw/zinc/74/89/42/367748942.db2.gz IHHDSAHTDWEYCA-KXUCPTDWSA-N 0 3 214.309 0.667 20 0 BCADHN O=C(CO)N1CC[C@H](N2CCCCC2)C1 ZINC000622361302 370868196 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ZINC000622684696 371062022 /nfs/dbraw/zinc/06/20/22/371062022.db2.gz PNBKDLYDTAEMNH-QMMMGPOBSA-N 0 3 247.360 0.924 20 0 BCADHN CCOCCN(CC)C[C@](C)(O)C(=O)OC ZINC000070714767 371064153 /nfs/dbraw/zinc/06/41/53/371064153.db2.gz RPANGTBKBMYJIF-NSHDSACASA-N 0 3 233.308 0.269 20 0 BCADHN C[C@H]1OCC[C@H]1N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000623719839 371068018 /nfs/dbraw/zinc/06/80/18/371068018.db2.gz MFYUAJKPMPHDOY-ZYUZMQFOSA-N 0 3 233.333 0.329 20 0 BCADHN O[C@@H]1CCN(CCNCc2ccncc2)C1 ZINC000623757400 371083911 /nfs/dbraw/zinc/08/39/11/371083911.db2.gz VWKWPSNMYMLPNU-GFCCVEGCSA-N 0 3 221.304 0.238 20 0 BCADHN CCc1nocc1CNCCN1CC[C@@H](O)C1 ZINC000623759405 371084501 /nfs/dbraw/zinc/08/45/01/371084501.db2.gz KXODIYGQJUQOEA-LLVKDONJSA-N 0 3 239.319 0.393 20 0 BCADHN C[C@@H]1C[C@@H](C)CN(c2nc(N)nc(N)n2)C1 ZINC000623788943 371093821 /nfs/dbraw/zinc/09/38/21/371093821.db2.gz XNKNBJBDIHADJT-RNFRBKRXSA-N 0 3 222.296 0.179 20 0 BCADHN CCN(Cc1ccccc1)c1nc(N)nc(N)n1 ZINC000623790417 371095086 /nfs/dbraw/zinc/09/50/86/371095086.db2.gz IOJDZHKSRBJKKO-UHFFFAOYSA-N 0 3 244.302 0.723 20 0 BCADHN C[C@@H]1CCC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000623886091 371140557 /nfs/dbraw/zinc/14/05/57/371140557.db2.gz RFQVMGQMLJIBOR-SFYZADRCSA-N 0 3 236.323 0.357 20 0 BCADHN CC(C)[C@H]1CCCN1c1nc(N)nc(N)n1 ZINC000623893115 371142944 /nfs/dbraw/zinc/14/29/44/371142944.db2.gz FRFKARPSIDWQHP-SSDOTTSWSA-N 0 3 222.296 0.322 20 0 BCADHN Cc1noc(C)c1CNCCN1CC[C@H](O)C1 ZINC000623837021 371119972 /nfs/dbraw/zinc/11/99/72/371119972.db2.gz UORLITCEPWISBF-NSHDSACASA-N 0 3 239.319 0.448 20 0 BCADHN O[C@H]1CCN(CCNCc2ccsc2)C1 ZINC000623835897 371120074 /nfs/dbraw/zinc/12/00/74/371120074.db2.gz BWQNMTHVRZMHSF-NSHDSACASA-N 0 3 226.345 0.904 20 0 BCADHN C[C@@H]1CCCC[C@@H]1N(C)c1nc(N)nc(N)n1 ZINC000623842175 371124558 /nfs/dbraw/zinc/12/45/58/371124558.db2.gz GUYFURDJLGDKST-SFYZADRCSA-N 0 3 236.323 0.712 20 0 BCADHN CCN(CCN)C(=O)C(=O)NCCCC1CC1 ZINC000627354235 371145139 /nfs/dbraw/zinc/14/51/39/371145139.db2.gz WDJOQXXPHSJGAU-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN C[C@@H](O)[C@H](C)NCc1cccc(CO)n1 ZINC000568983622 326384739 /nfs/dbraw/zinc/38/47/39/326384739.db2.gz LSZZCDCSGLICHK-DTWKUNHWSA-N 0 3 210.277 0.433 20 0 BCADHN COC(=O)CNC(=O)c1cccc2c1CCNC2 ZINC000124168090 371159535 /nfs/dbraw/zinc/15/95/35/371159535.db2.gz LZZXRQYEWZFQJC-UHFFFAOYSA-N 0 3 248.282 0.235 20 0 BCADHN C[C@@H](O)[C@@H](C)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000569214004 326395380 /nfs/dbraw/zinc/39/53/80/326395380.db2.gz KMJGTTAOLJWJMD-IQIPOGNMSA-N 0 3 239.319 0.609 20 0 BCADHN C[C@@H]1CC[C@@H](Nc2nc(N)nc(N)n2)[C@@H](C)C1 ZINC000623970473 371206317 /nfs/dbraw/zinc/20/63/17/371206317.db2.gz PDUUQQCMUPLILK-GJMOJQLCSA-N 0 3 236.323 0.355 20 0 BCADHN Cc1cncn1CC(=O)NC[C@H](C)N(C)C ZINC000623975802 371210664 /nfs/dbraw/zinc/21/06/64/371210664.db2.gz QJSVEEGPZYTJBG-VIFPVBQESA-N 0 3 224.308 0.258 20 0 BCADHN CCO[C@H](C(=O)NC[C@@H](C)N(C)C)C1CC1 ZINC000623975931 371210999 /nfs/dbraw/zinc/21/09/99/371210999.db2.gz TZOPSLVWEPIOCJ-KOLCDFICSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H]1CCC[C@H](C)N(c2nc(N)nc(N)n2)C1 ZINC000623994181 371228106 /nfs/dbraw/zinc/22/81/06/371228106.db2.gz QTWFWDHJRFODJM-YUMQZZPRSA-N 0 3 236.323 0.712 20 0 BCADHN CC[C@H](Nc1nc(N)nc(N)n1)c1ccncc1 ZINC000623990726 371224322 /nfs/dbraw/zinc/22/43/22/371224322.db2.gz KWCOTJCQYGZEIJ-QMMMGPOBSA-N 0 3 245.290 0.077 20 0 BCADHN C[C@H]1CCCN(c2nc(N)nc(N)n2)[C@H]1C ZINC000623992389 371225881 /nfs/dbraw/zinc/22/58/81/371225881.db2.gz MPJVWDYCIYFMSK-BQBZGAKWSA-N 0 3 222.296 0.322 20 0 BCADHN C[C@H](N(C)c1nc(N)nc(N)n1)C1(C)CC1 ZINC000624026568 371257963 /nfs/dbraw/zinc/25/79/63/371257963.db2.gz FEUNPUUGCJABCQ-LURJTMIESA-N 0 3 222.296 0.322 20 0 BCADHN Nc1nc(N)nc(N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000623998652 371230807 /nfs/dbraw/zinc/23/08/07/371230807.db2.gz YQASWNTUEDYHFW-YUMQZZPRSA-N 0 3 234.307 0.466 20 0 BCADHN Nc1nc(N)nc(N2CCC[C@H]3CCC[C@H]32)n1 ZINC000623998649 371231221 /nfs/dbraw/zinc/23/12/21/371231221.db2.gz YQASWNTUEDYHFW-HTQZYQBOSA-N 0 3 234.307 0.466 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H](C)[C@@H]1CCCCO1 ZINC000624005981 371243605 /nfs/dbraw/zinc/24/36/05/371243605.db2.gz IBVUPICCSAIZFZ-WHOHXGKFSA-N 0 3 229.320 0.947 20 0 BCADHN CC[C@H]1CCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624032362 371261627 /nfs/dbraw/zinc/26/16/27/371261627.db2.gz IIJSLUWFOJGYSV-BQBZGAKWSA-N 0 3 222.296 0.109 20 0 BCADHN CC1(C)CCCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624033064 371261643 /nfs/dbraw/zinc/26/16/43/371261643.db2.gz TUNPIZXESZBRMP-ZETCQYMHSA-N 0 3 236.323 0.499 20 0 BCADHN CCCN(c1nc(N)nc(N)n1)C1CC1 ZINC000624085865 371297540 /nfs/dbraw/zinc/29/75/40/371297540.db2.gz GNYXTEJQXZHCJL-UHFFFAOYSA-N 0 3 208.269 0.076 20 0 BCADHN CO[C@H](CN)C(=O)N1CCOC2(CCCC2)C1 ZINC000572725486 326407209 /nfs/dbraw/zinc/40/72/09/326407209.db2.gz QEJBLJYDNVDXAM-SNVBAGLBSA-N 0 3 242.319 0.132 20 0 BCADHN C[C@@H]1CN(c2nc(N)nc(N)n2)[C@H]2CCCC[C@@H]12 ZINC000624093814 371303600 /nfs/dbraw/zinc/30/36/00/371303600.db2.gz JFKJKKYHESHEKH-VGMNWLOBSA-N 0 3 248.334 0.712 20 0 BCADHN CCC[C@@H]1CCCCN1c1nc(N)nc(N)n1 ZINC000624100750 371306054 /nfs/dbraw/zinc/30/60/54/371306054.db2.gz BXSSWPSUUSEUHG-MRVPVSSYSA-N 0 3 236.323 0.856 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2N[C@H]1C[C@H](C(N)=O)C1 ZINC000624130556 371331786 /nfs/dbraw/zinc/33/17/86/371331786.db2.gz RDMNGNKGQSHQIY-QXEWZRGKSA-N 0 3 248.330 0.651 20 0 BCADHN CC(C)N1CC[C@H](NCc2ccc(=O)[nH]c2)C1=O ZINC000631073573 371353457 /nfs/dbraw/zinc/35/34/57/371353457.db2.gz MRDGSZIJGVDUPW-NSHDSACASA-N 0 3 249.314 0.886 20 0 BCADHN C[C@H]1CC2(CCC2)CN1c1nc(N)nc(N)n1 ZINC000624158535 371353714 /nfs/dbraw/zinc/35/37/14/371353714.db2.gz DJXLMSYWVWMVKP-ZETCQYMHSA-N 0 3 234.307 0.466 20 0 BCADHN C[C@@H](CNC(=O)N(C)CC1(C)COC1)N(C)C ZINC000624165114 371360053 /nfs/dbraw/zinc/36/00/53/371360053.db2.gz YMOWFLZOKQMSPL-JTQLQIEISA-N 0 3 243.351 0.614 20 0 BCADHN CC(C)(Nc1nc(N)nc(N)n1)C(F)F ZINC000624172920 371363773 /nfs/dbraw/zinc/36/37/73/371363773.db2.gz WZESSHMTXPIONB-UHFFFAOYSA-N 0 3 218.211 0.152 20 0 BCADHN C[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1cccnc1 ZINC000624131047 371332582 /nfs/dbraw/zinc/33/25/82/371332582.db2.gz DXVIKRHYUSSKTE-FBIMIBRVSA-N 0 3 219.288 0.996 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)N[C@H]1C[C@H](C(N)=O)C1 ZINC000624131644 371332905 /nfs/dbraw/zinc/33/29/05/371332905.db2.gz UBWGEWBQZQYODE-FTLITQJKSA-N 0 3 222.292 0.633 20 0 BCADHN C[C@@H]1CCC[C@@H](Nc2nc(N)nc(N)n2)CC1 ZINC000624145957 371339551 /nfs/dbraw/zinc/33/95/51/371339551.db2.gz MRXLUJFLHRWICT-HTQZYQBOSA-N 0 3 236.323 0.499 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1C)c1cn[nH]c1 ZINC000624176386 371367656 /nfs/dbraw/zinc/36/76/56/371367656.db2.gz KDOXXNJOBSXKCZ-GXSJLCMTSA-N 0 3 224.308 0.391 20 0 BCADHN CN1C[C@H](NCc2ccc(=O)[nH]c2)CCC1=O ZINC000631077088 371395481 /nfs/dbraw/zinc/39/54/81/371395481.db2.gz RHFALKOJMSFNQW-SNVBAGLBSA-N 0 3 235.287 0.498 20 0 BCADHN CCC(CC)N(CC)c1nc(N)nc(N)n1 ZINC000624227917 371414840 /nfs/dbraw/zinc/41/48/40/371414840.db2.gz CEVKFTRKFLZCCS-UHFFFAOYSA-N 0 3 224.312 0.712 20 0 BCADHN C[C@@H](NCCN1CC[C@@H](O)C1)c1ccncc1 ZINC000624229225 371416360 /nfs/dbraw/zinc/41/63/60/371416360.db2.gz QGQHUKKJOFTKDE-DGCLKSJQSA-N 0 3 235.331 0.799 20 0 BCADHN C[C@@H](NCCN1CC[C@@H](O)C1)c1ccccn1 ZINC000624229609 371417491 /nfs/dbraw/zinc/41/74/91/371417491.db2.gz ZSDSKWHZIJQZSF-VXGBXAGGSA-N 0 3 235.331 0.799 20 0 BCADHN C[C@@H](NCCN1CC[C@H](O)C1)c1cnccn1 ZINC000624333523 371485083 /nfs/dbraw/zinc/48/50/83/371485083.db2.gz RHZJGBSDBSLIFP-MNOVXSKESA-N 0 3 236.319 0.194 20 0 BCADHN Cc1scc(CNC(CO)CO)c1C ZINC000631078031 371427712 /nfs/dbraw/zinc/42/77/12/371427712.db2.gz BXCNWCVDJOJQEH-UHFFFAOYSA-N 0 3 215.318 0.808 20 0 BCADHN NC(=O)C[C@H]1CN([C@@H]2CCCOCC2)CCO1 ZINC000624252155 371437767 /nfs/dbraw/zinc/43/77/67/371437767.db2.gz AYPSYKZCWZYANT-MNOVXSKESA-N 0 3 242.319 0.132 20 0 BCADHN C[C@H](C1CC1)N1CCO[C@@H](CC(N)=O)C1 ZINC000624253920 371441098 /nfs/dbraw/zinc/44/10/98/371441098.db2.gz IQADVKBYERGTNG-SCZZXKLOSA-N 0 3 212.293 0.361 20 0 BCADHN Cc1cccc([C@H](C)Nc2nc(N)nc(N)n2)c1 ZINC000624266932 371451331 /nfs/dbraw/zinc/45/13/31/371451331.db2.gz YIIAAIMIHUYKJO-QMMMGPOBSA-N 0 3 244.302 0.600 20 0 BCADHN CCC(CC)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000624279006 371455426 /nfs/dbraw/zinc/45/54/26/371455426.db2.gz DBPCBGLRIRHNIU-UHFFFAOYSA-N 0 3 249.380 0.255 20 0 BCADHN Nc1nc(N)nc(N2CC[C@H](C3CCCC3)C2)n1 ZINC000624288219 371459056 /nfs/dbraw/zinc/45/90/56/371459056.db2.gz CJLPLUTUMJHMDB-VIFPVBQESA-N 0 3 248.334 0.713 20 0 BCADHN CCOC[C@H](O)CN1CCC[C@@H](OCC)C1 ZINC000225857300 371582699 /nfs/dbraw/zinc/58/26/99/371582699.db2.gz MWSMHZFLGUTLFT-VXGBXAGGSA-N 0 3 231.336 0.885 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1C[C@H](C)C[C@H](C)C1 ZINC000028659713 371631188 /nfs/dbraw/zinc/63/11/88/371631188.db2.gz VUHTUZIPXMDOQA-YIZRAAEISA-N 0 3 227.308 0.548 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C23CC(C2)C3)C1 ZINC000627487677 371654962 /nfs/dbraw/zinc/65/49/62/371654962.db2.gz IMHRNSHTZXBXHI-ZRZGDYATSA-N 0 3 220.316 0.949 20 0 BCADHN CCN(C(=O)c1nc[nH]n1)C1CCN(C)CC1 ZINC000627618546 371783143 /nfs/dbraw/zinc/78/31/43/371783143.db2.gz XTLJLKJKIRPJHP-UHFFFAOYSA-N 0 3 237.307 0.361 20 0 BCADHN CCN(C(=O)[C@H](C)O)C1CCN(C)CC1 ZINC000627617556 371783386 /nfs/dbraw/zinc/78/33/86/371783386.db2.gz KGDVMXJDPYHHNX-VIFPVBQESA-N 0 3 214.309 0.310 20 0 BCADHN Cn1cncc1CCNCc1cc[nH]n1 ZINC000401726282 371805760 /nfs/dbraw/zinc/80/57/60/371805760.db2.gz LUBQCVNALJHFNG-UHFFFAOYSA-N 0 3 205.265 0.476 20 0 BCADHN COC1CC(C(=O)NCC2(N(C)C)CC2)C1 ZINC000627777671 371969516 /nfs/dbraw/zinc/96/95/16/371969516.db2.gz LIPGIXHHWHTOSQ-UHFFFAOYSA-N 0 3 226.320 0.622 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CCCS(=O)(=O)C1 ZINC000163372956 371985174 /nfs/dbraw/zinc/98/51/74/371985174.db2.gz IRZINYQGZULXRN-KXUCPTDWSA-N 0 3 247.360 0.313 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000163638449 372024203 /nfs/dbraw/zinc/02/42/03/372024203.db2.gz IONNGPDDHXHQQB-KYXWUPHJSA-N 0 3 244.360 0.503 20 0 BCADHN COCC(COC)NCc1ccc(=O)[nH]c1 ZINC000631151570 372210553 /nfs/dbraw/zinc/21/05/53/372210553.db2.gz OXSDNSGMPPGAEJ-UHFFFAOYSA-N 0 3 226.276 0.538 20 0 BCADHN Cc1cc(CN[C@@H]2CCc3c(nnn3C)C2)on1 ZINC000631170204 372216146 /nfs/dbraw/zinc/21/61/46/372216146.db2.gz YKTJKFFDSLTVKR-SECBINFHSA-N 0 3 247.302 0.759 20 0 BCADHN CCN1CCCN(C(=O)C2CSC2)CC1 ZINC000631171979 372218177 /nfs/dbraw/zinc/21/81/77/372218177.db2.gz UXPMRARNHJGKIQ-UHFFFAOYSA-N 0 3 228.361 0.904 20 0 BCADHN COc1cc(CN[C@@H]2COC[C@@H]2O)ccc1C ZINC000631201425 372232126 /nfs/dbraw/zinc/23/21/26/372232126.db2.gz RKNVAWNICGYDPN-NEPJUHHUSA-N 0 3 237.299 0.853 20 0 BCADHN COC[C@@](C)(CO)NCc1nc(C)ccc1O ZINC000631205278 372235150 /nfs/dbraw/zinc/23/51/50/372235150.db2.gz ZFKJMZXMKGTURF-GFCCVEGCSA-N 0 3 240.303 0.583 20 0 BCADHN Cc1ncc(CNCC[C@H](O)C(F)F)n1C ZINC000631214941 372237576 /nfs/dbraw/zinc/23/75/76/372237576.db2.gz FELIFYSHYCECRN-VIFPVBQESA-N 0 3 233.262 0.834 20 0 BCADHN CNS(=O)(=O)CCCNCc1cc[nH]c1 ZINC000631229714 372250530 /nfs/dbraw/zinc/25/05/30/372250530.db2.gz OHRWSZNBVJXTGY-UHFFFAOYSA-N 0 3 231.321 0.044 20 0 BCADHN CNS(=O)(=O)CCCNCC1(F)CC1 ZINC000631230342 372251787 /nfs/dbraw/zinc/25/17/87/372251787.db2.gz UAAQVTZVSIVYEE-UHFFFAOYSA-N 0 3 224.301 0.017 20 0 BCADHN C[C@H]1OCC[C@H]1NC1CN(c2ccncn2)C1 ZINC000631257340 372263922 /nfs/dbraw/zinc/26/39/22/372263922.db2.gz RQRMMYTYXZSHHM-MWLCHTKSSA-N 0 3 234.303 0.432 20 0 BCADHN CCn1nncc1CN[C@@H]1CCCC[C@@H]1O ZINC000631301270 372284578 /nfs/dbraw/zinc/28/45/78/372284578.db2.gz JYYRWACHJNTKPA-MNOVXSKESA-N 0 3 224.308 0.691 20 0 BCADHN CN(C)CCN(C)C(=O)c1nnc(C2CC2)o1 ZINC000631374272 372322463 /nfs/dbraw/zinc/32/24/63/372322463.db2.gz KDSAJOYDPQWGMQ-UHFFFAOYSA-N 0 3 238.291 0.581 20 0 BCADHN C[C@H]1CN(CCNCc2cncn2C)CCO1 ZINC000521828096 259552386 /nfs/dbraw/zinc/55/23/86/259552386.db2.gz AGJPMRVWHQKIBF-NSHDSACASA-N 0 3 238.335 0.230 20 0 BCADHN CN(C)CCCS(=O)(=O)N1CCCC1 ZINC000631636758 372473697 /nfs/dbraw/zinc/47/36/97/372473697.db2.gz MPCNWJCOAVLHMC-UHFFFAOYSA-N 0 3 220.338 0.364 20 0 BCADHN C[C@H]1CCN(CCNC(=O)C2CSC2)C1 ZINC000631583499 372441566 /nfs/dbraw/zinc/44/15/66/372441566.db2.gz RMKKAJDKKZSEJR-VIFPVBQESA-N 0 3 228.361 0.807 20 0 BCADHN CCn1ncc(C(=O)N(C)CCN(C)C)c1C ZINC000631599979 372450885 /nfs/dbraw/zinc/45/08/85/372450885.db2.gz OIYTWCIPZIWOMM-UHFFFAOYSA-N 0 3 238.335 0.845 20 0 BCADHN CN(C)CCN(C)C(=O)C1CSC1 ZINC000631599164 372451385 /nfs/dbraw/zinc/45/13/85/372451385.db2.gz ITVKIXFUIXVXKV-UHFFFAOYSA-N 0 3 202.323 0.369 20 0 BCADHN CCO[C@H]1C[C@H](N[C@@H]2COC[C@@H]2O)C12CCC2 ZINC000631672661 372498614 /nfs/dbraw/zinc/49/86/14/372498614.db2.gz AMFMGSOMBLHULR-RHYQMDGZSA-N 0 3 241.331 0.683 20 0 BCADHN O[C@@H]1COC[C@@H]1N[C@@H]1CCCc2ncccc21 ZINC000631675892 372503409 /nfs/dbraw/zinc/50/34/09/372503409.db2.gz YLUSSNVWKMBVNM-FRRDWIJNSA-N 0 3 234.299 0.808 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC[C@H](O)C(F)F ZINC000631704301 372512877 /nfs/dbraw/zinc/51/28/77/372512877.db2.gz WICAJGVUDFNDEZ-BQBZGAKWSA-N 0 3 245.291 0.025 20 0 BCADHN CO[C@H](C)[C@H](C)NC1CN(c2ccncn2)C1 ZINC000631746794 372548539 /nfs/dbraw/zinc/54/85/39/372548539.db2.gz RXJLHMIDXUDDFI-VHSXEESVSA-N 0 3 236.319 0.678 20 0 BCADHN C[C@@H](N[C@@H]1COCC[C@H]1O)[C@@H]1CCCCO1 ZINC000631751012 372552584 /nfs/dbraw/zinc/55/25/84/372552584.db2.gz AXZGWFVLGIXXQD-KKOKHZNYSA-N 0 3 229.320 0.683 20 0 BCADHN COCCC(=O)NC1CCN(CCOC)CC1 ZINC000171398237 372567313 /nfs/dbraw/zinc/56/73/13/372567313.db2.gz JMMJVOAJUSFUBO-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN CC[C@H](COC)NC1CN(c2ccncn2)C1 ZINC000631746279 372547134 /nfs/dbraw/zinc/54/71/34/372547134.db2.gz GUCLBYKWUUUMMA-SNVBAGLBSA-N 0 3 236.319 0.680 20 0 BCADHN COCCN(C)CCCNC(=O)C(C)(C)OC ZINC000171593225 372703034 /nfs/dbraw/zinc/70/30/34/372703034.db2.gz YAEBSTYYIPXMQJ-UHFFFAOYSA-N 0 3 246.351 0.496 20 0 BCADHN CC[C@@H](C)N(C)S(=O)(=O)CCCN(C)C ZINC000631889107 372685297 /nfs/dbraw/zinc/68/52/97/372685297.db2.gz FUJFYGUNBDZDBY-SNVBAGLBSA-N 0 3 236.381 0.998 20 0 BCADHN 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0.549 20 0 BCADHN OC[C@H]1C=C[C@H](NCc2c[nH]c3nccnc23)C1 ZINC000356414699 183146645 /nfs/dbraw/zinc/14/66/45/183146645.db2.gz OCAXBCZYUMDHBD-ONGXEEELSA-N 0 3 244.298 0.936 20 0 BCADHN OC[C@H]1C=C[C@@H](NCc2c[nH]c3nccnc23)C1 ZINC000290902276 183146686 /nfs/dbraw/zinc/14/66/86/183146686.db2.gz OCAXBCZYUMDHBD-GXSJLCMTSA-N 0 3 244.298 0.985 20 0 BCADHN OC[C@H]1C[C@H](O)CN1Cc1ccc2c(c1)CCO2 ZINC000370386581 183156138 /nfs/dbraw/zinc/15/61/38/183156138.db2.gz IRWISZLYRXMOMB-OLZOCXBDSA-N 0 3 249.310 0.549 20 0 BCADHN CCCN(C(=O)[C@@H](CN)OC)C1CC1 ZINC000227347998 169045464 /nfs/dbraw/zinc/04/54/64/169045464.db2.gz PMFCIGMKQSVAQO-SECBINFHSA-N 0 3 200.282 0.361 20 0 BCADHN OC[C@]1(F)CCN(C[C@@H]2CCOC2)C1 ZINC000338587810 183159686 /nfs/dbraw/zinc/15/96/86/183159686.db2.gz PDUWLDHCROLKHM-UWVGGRQHSA-N 0 3 203.257 0.429 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000340827444 169067643 /nfs/dbraw/zinc/06/76/43/169067643.db2.gz RRDXVFRMNKRVAS-PHIMTYICSA-N 0 3 226.320 0.718 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H](C)OC[C@@H]1C ZINC000359337027 169067683 /nfs/dbraw/zinc/06/76/83/169067683.db2.gz GWUCPGUZWHWUMI-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H](O)[C@H](CC)C1 ZINC000340775890 169068581 /nfs/dbraw/zinc/06/85/81/169068581.db2.gz OTTGYYXRVSPIAN-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN CCCN(C)CC(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000361458991 169068900 /nfs/dbraw/zinc/06/89/00/169068900.db2.gz UMROYUUVHCVFNH-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN O[C@@H](CN1CC[C@@H](O)C1)c1ccccc1 ZINC000078746615 183197994 /nfs/dbraw/zinc/19/79/94/183197994.db2.gz FSASLDFNRPYGNZ-NEPJUHHUSA-N 0 3 207.273 0.787 20 0 BCADHN CCCN(C)CC(=O)NCCOC(C)C ZINC000349580541 169069532 /nfs/dbraw/zinc/06/95/32/169069532.db2.gz MEQCIUPNJOLWDI-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN CCCN(C)CC(=O)NCCC1(O)CCC1 ZINC000357140424 169069880 /nfs/dbraw/zinc/06/98/80/169069880.db2.gz UBFMOCWPXWUZJN-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H]1CCCN1CC ZINC000359249918 169069990 /nfs/dbraw/zinc/06/99/90/169069990.db2.gz YFGKXJDETBAERK-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](C)CCO ZINC000340553483 169070046 /nfs/dbraw/zinc/07/00/46/169070046.db2.gz ZWEJBVJTDBLAPW-JTQLQIEISA-N 0 3 216.325 0.463 20 0 BCADHN CCCN(C)CC(=O)NC(C)(C)C(C)(C)O ZINC000332432884 169070486 /nfs/dbraw/zinc/07/04/86/169070486.db2.gz CCTHIVVLUSAPRM-UHFFFAOYSA-N 0 3 230.352 0.994 20 0 BCADHN CCCN(C)CC(=O)NCCCn1ccnc1 ZINC000358563112 169070778 /nfs/dbraw/zinc/07/07/78/169070778.db2.gz QBIQUCZCVPFTJN-UHFFFAOYSA-N 0 3 238.335 0.731 20 0 BCADHN CCCN(C)CC(=O)NCCOCC ZINC000106908053 169070862 /nfs/dbraw/zinc/07/08/62/169070862.db2.gz LRDOPCIVJUCEPG-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN CCCN(C)CC(=O)NC[C@@]1(O)CCC[C@H]1C ZINC000359810734 169071062 /nfs/dbraw/zinc/07/10/62/169071062.db2.gz PJLCUWYKHARNHK-YPMHNXCESA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)NC(=O)N[C@@H](C)COC ZINC000123609408 169071141 /nfs/dbraw/zinc/07/11/41/169071141.db2.gz JUTBYAOHLDHADX-VIFPVBQESA-N 0 3 245.323 0.189 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](CO)C1CC1 ZINC000359819230 169071671 /nfs/dbraw/zinc/07/16/71/169071671.db2.gz HJEVZDFMHAIBRA-NSHDSACASA-N 0 3 228.336 0.463 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000330910410 169071724 /nfs/dbraw/zinc/07/17/24/169071724.db2.gz PSTSSTOAWYCRLM-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)Cn1ccnc1 ZINC000358582888 169072124 /nfs/dbraw/zinc/07/21/24/169072124.db2.gz DZXLHXNNTIFXEY-NSHDSACASA-N 0 3 238.335 0.730 20 0 BCADHN CCCN(C)CC(=O)NC[C@]1(OC)CCOC1 ZINC000359791239 169072976 /nfs/dbraw/zinc/07/29/76/169072976.db2.gz IRWQCIPEIPKYNN-GFCCVEGCSA-N 0 3 244.335 0.250 20 0 BCADHN CCCN(C)CC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000330910408 169073000 /nfs/dbraw/zinc/07/30/00/169073000.db2.gz PSTSSTOAWYCRLM-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000357121844 169073007 /nfs/dbraw/zinc/07/30/07/169073007.db2.gz PXVHNKGGXDJYQJ-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359253593 169073352 /nfs/dbraw/zinc/07/33/52/169073352.db2.gz RVHMMTSUUNQXGE-LLVKDONJSA-N 0 3 239.363 0.681 20 0 BCADHN CCCN(C)CC(=O)NC[C@]1(O)CCC[C@@H]1C ZINC000359810730 169073829 /nfs/dbraw/zinc/07/38/29/169073829.db2.gz PJLCUWYKHARNHK-WCQYABFASA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000330486054 169073944 /nfs/dbraw/zinc/07/39/44/169073944.db2.gz BTHIPVFTVNFBJR-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)NCc1c[nH]cn1 ZINC000359125783 169074000 /nfs/dbraw/zinc/07/40/00/169074000.db2.gz LYBTYVVNRWVRAI-UHFFFAOYSA-N 0 3 210.281 0.368 20 0 BCADHN CCCN(C)CC(=O)NCc1cnc[nH]1 ZINC000359125783 169074002 /nfs/dbraw/zinc/07/40/02/169074002.db2.gz LYBTYVVNRWVRAI-UHFFFAOYSA-N 0 3 210.281 0.368 20 0 BCADHN CCC[N@H+](C)CC(=O)NCc1ncccc1[O-] ZINC000352518146 169074112 /nfs/dbraw/zinc/07/41/12/169074112.db2.gz VHGVDIUYOHTUQN-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN CCC[N@@H+](C)CC(=O)NCc1ncccc1[O-] ZINC000352518146 169074115 /nfs/dbraw/zinc/07/41/15/169074115.db2.gz VHGVDIUYOHTUQN-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN CCCN(C)CC(=O)NCc1ncccc1O ZINC000352518146 169074117 /nfs/dbraw/zinc/07/41/17/169074117.db2.gz VHGVDIUYOHTUQN-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000330486052 169074265 /nfs/dbraw/zinc/07/42/65/169074265.db2.gz BTHIPVFTVNFBJR-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CCO)C(C)C ZINC000339692998 169076023 /nfs/dbraw/zinc/07/60/23/169076023.db2.gz KLHVIUUNURQDQY-LLVKDONJSA-N 0 3 230.352 0.851 20 0 BCADHN O[C@@H]1CN(C[C@@H]2C[C@@H]2c2ccccc2)C[C@H]1O ZINC000361382131 183205822 /nfs/dbraw/zinc/20/58/22/183205822.db2.gz SPFLJFSCUZLYQC-REWJHTLYSA-N 0 3 233.311 0.828 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)CCCO ZINC000340529412 169076132 /nfs/dbraw/zinc/07/61/32/169076132.db2.gz CIWMNKGRNFYGSR-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN O[C@@H]1CN(C[C@@H]2CCOc3ccccc32)C[C@H]1O ZINC000300122821 183205983 /nfs/dbraw/zinc/20/59/83/183205983.db2.gz GRQJTYCDTYDYFT-CYZMBNFOSA-N 0 3 249.310 0.590 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000331004714 169076593 /nfs/dbraw/zinc/07/65/93/169076593.db2.gz LGPUXZLWOXZYPK-NSHDSACASA-N 0 3 241.335 0.065 20 0 BCADHN CCN(CCO)CCNC(=O)OCC1CC1 ZINC000192910641 259592860 /nfs/dbraw/zinc/59/28/60/259592860.db2.gz HLXFHRNSQOTHMA-UHFFFAOYSA-N 0 3 230.308 0.437 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CCC([C@H]2CCCO2)CC1 ZINC000361397359 183207942 /nfs/dbraw/zinc/20/79/42/183207942.db2.gz XMQSXXSZKLUJIU-YNEHKIRRSA-N 0 3 241.331 0.637 20 0 BCADHN CCCN(C)CC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000357397421 169064027 /nfs/dbraw/zinc/06/40/27/169064027.db2.gz DVKIRTLVOHJFML-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CCCN(C)CC(=O)N1CCC([C@@H](C)O)CC1 ZINC000355570252 169064326 /nfs/dbraw/zinc/06/43/26/169064326.db2.gz DUNHIGOKCXKKDU-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CCCN(C)CC(=O)N(C)[C@H]1CCCOC1 ZINC000341147709 169065109 /nfs/dbraw/zinc/06/51/09/169065109.db2.gz OFTKVKTXTHHWFP-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCCN(C)CC(=O)N(CC)CC(C)(C)O ZINC000354497889 169065458 /nfs/dbraw/zinc/06/54/58/169065458.db2.gz KZGDBYJDCBQSKQ-UHFFFAOYSA-N 0 3 230.352 0.948 20 0 BCADHN CCCN(C)CC(=O)N(C)C1CC(O)C1 ZINC000354295620 169065505 /nfs/dbraw/zinc/06/55/05/169065505.db2.gz JGYACSIFCUEAAU-UHFFFAOYSA-N 0 3 214.309 0.310 20 0 BCADHN CCCN(C)CC(=O)N1CC(O)(C2CC2)C1 ZINC000357056876 169066083 /nfs/dbraw/zinc/06/60/83/169066083.db2.gz OCGYEHMFUGFTNL-UHFFFAOYSA-N 0 3 226.320 0.312 20 0 BCADHN CCCN(C)CC(=O)N(C)[C@H]1CCC[C@H]1O ZINC000341789746 169066159 /nfs/dbraw/zinc/06/61/59/169066159.db2.gz MNTVHNDWCSSPNQ-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN CCCN(C)CC(=O)N1CCN(CC)CC1 ZINC000358600954 169066652 /nfs/dbraw/zinc/06/66/52/169066652.db2.gz LMLXNZINSUFSMF-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN O[C@@H](CN1CCC12CCC2)CN1CCOCC1 ZINC000336714367 183222216 /nfs/dbraw/zinc/22/22/16/183222216.db2.gz RFHRDRMZQUQZLT-GFCCVEGCSA-N 0 3 240.347 0.308 20 0 BCADHN CCCN(C)S(=O)(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000353491246 169082831 /nfs/dbraw/zinc/08/28/31/169082831.db2.gz IZCGUAGOZRLCLL-ZJUUUORDSA-N 0 3 249.380 0.255 20 0 BCADHN CCCN(C)S(=O)(=O)NCCN(C)CC ZINC000119969719 169084133 /nfs/dbraw/zinc/08/41/33/169084133.db2.gz JDGRCPCBTOHODA-UHFFFAOYSA-N 0 3 237.369 0.114 20 0 BCADHN O[C@@H]1COC[C@H]1N1CCC[C@H](OCC2CC2)C1 ZINC000361395371 183209686 /nfs/dbraw/zinc/20/96/86/183209686.db2.gz NQEGTXAFUAEXSU-YNEHKIRRSA-N 0 3 241.331 0.637 20 0 BCADHN O[C@@H]1COC[C@H]1N1CCC[C@@]2(CCCOC2)C1 ZINC000361318672 183210284 /nfs/dbraw/zinc/21/02/84/183210284.db2.gz OHRKCSBVMDEDJE-JHJVBQTASA-N 0 3 241.331 0.639 20 0 BCADHN O[C@@H]1COC[C@H]1N1CCC[C@]2(CCCOC2)C1 ZINC000361318673 183211071 /nfs/dbraw/zinc/21/10/71/183211071.db2.gz OHRKCSBVMDEDJE-UPJWGTAASA-N 0 3 241.331 0.639 20 0 BCADHN CCCN(CC(=O)NC(=O)NC)CC(C)C ZINC000338215502 169092954 /nfs/dbraw/zinc/09/29/54/169092954.db2.gz DRVJYSKGOUGFLE-UHFFFAOYSA-N 0 3 229.324 0.810 20 0 BCADHN CCCN(CC(=O)NC)C[C@@H](O)C(C)C ZINC000340292397 169095119 /nfs/dbraw/zinc/09/51/19/169095119.db2.gz UJGRFKGIBYVRTM-SNVBAGLBSA-N 0 3 216.325 0.461 20 0 BCADHN O[C@@]1(CN[C@H]2CCCc3n[nH]cc32)CCOC1 ZINC000367614600 183215998 /nfs/dbraw/zinc/21/59/98/183215998.db2.gz IISQRFJKHDJIQN-CMPLNLGQSA-N 0 3 237.303 0.528 20 0 BCADHN O[C@@]1(CN[C@@H]2CCCc3n[nH]cc32)CCOC1 ZINC000367614603 183216438 /nfs/dbraw/zinc/21/64/38/183216438.db2.gz IISQRFJKHDJIQN-ZYHUDNBSSA-N 0 3 237.303 0.528 20 0 BCADHN O[C@H]1CCN(CCCO[C@H]2CCCCO2)C1 ZINC000338272875 183238223 /nfs/dbraw/zinc/23/82/23/183238223.db2.gz WUSZBXLSSFOCRT-RYUDHWBXSA-N 0 3 229.320 0.986 20 0 BCADHN O[C@@H]1CN([C@@H]2C[C@H]2c2ccccc2)C[C@@H]1O ZINC000291288950 183243499 /nfs/dbraw/zinc/24/34/99/183243499.db2.gz ZMFIEDBDIHGCAD-QNWHQSFQSA-N 0 3 219.284 0.580 20 0 BCADHN O[C@H](CCN1C[C@H](O)[C@@H](O)C1)c1ccccc1 ZINC000236588277 183244081 /nfs/dbraw/zinc/24/40/81/183244081.db2.gz STTRDAWQFIGZJH-AGIUHOORSA-N 0 3 237.299 0.148 20 0 BCADHN O[C@H]1COC[C@H]1N1CCC2(CCOCC2)CC1 ZINC000361373170 183246748 /nfs/dbraw/zinc/24/67/48/183246748.db2.gz AVUOWBYGJVXASO-NEPJUHHUSA-N 0 3 241.331 0.639 20 0 BCADHN CCCN(CC)CC(=O)NC(=O)NC1CC1 ZINC000346289149 169120831 /nfs/dbraw/zinc/12/08/31/169120831.db2.gz FQHLQHYDUIVNPA-UHFFFAOYSA-N 0 3 227.308 0.707 20 0 BCADHN O[C@@H]1CCN([C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000272047192 183250365 /nfs/dbraw/zinc/25/03/65/183250365.db2.gz YWGGOAPXCLBFOK-RTXFEEFZSA-N 0 3 219.284 0.711 20 0 BCADHN O[C@H]1CCCC[C@@H]1NCc1cncnc1 ZINC000054768230 183232557 /nfs/dbraw/zinc/23/25/57/183232557.db2.gz GXTUWNUZMZGWFP-QWRGUYRKSA-N 0 3 207.277 0.870 20 0 BCADHN CCCN(CCCCOC)CC(=O)NC ZINC000118001043 169154420 /nfs/dbraw/zinc/15/44/20/169154420.db2.gz HUKDOIGTUJCEAP-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN CCCN(CCCOC)[C@H]1CC(=O)N(C)C1=O ZINC000338330829 169156281 /nfs/dbraw/zinc/15/62/81/169156281.db2.gz OILSOWQDTNQUNM-JTQLQIEISA-N 0 3 242.319 0.492 20 0 BCADHN CCCN(CCN(CC)CC)S(C)(=O)=O ZINC000119382817 169157632 /nfs/dbraw/zinc/15/76/32/169157632.db2.gz GAQYUHSPCYIGOG-UHFFFAOYSA-N 0 3 236.381 1.000 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@@H]1CCCO1 ZINC000121526476 169157761 /nfs/dbraw/zinc/15/77/61/169157761.db2.gz VJOOUMMBPICJJW-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@H]1CCCN1C ZINC000356974955 169158520 /nfs/dbraw/zinc/15/85/20/169158520.db2.gz BXTITOHDDAFNJW-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CCCN(CCN1CCN(CC)CC1)C(C)=O ZINC000356577683 169160331 /nfs/dbraw/zinc/16/03/31/169160331.db2.gz KTEVFPCNVJPZQP-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CCCN1CCC(NS(C)(=O)=O)CC1 ZINC000014252438 169189374 /nfs/dbraw/zinc/18/93/74/169189374.db2.gz ORJYXYORHXYLJD-UHFFFAOYSA-N 0 3 220.338 0.410 20 0 BCADHN c1c[nH]c(CNCCCN2CCOCC2)n1 ZINC000049714708 183324919 /nfs/dbraw/zinc/32/49/19/183324919.db2.gz HAKPTURIOHDYNE-UHFFFAOYSA-N 0 3 224.308 0.222 20 0 BCADHN c1c[nH]c(CN[C@H]2CCc3c[nH]nc3C2)n1 ZINC000335630627 183325098 /nfs/dbraw/zinc/32/50/98/183325098.db2.gz IIUJOACQCNAXAL-VIFPVBQESA-N 0 3 217.276 0.780 20 0 BCADHN CCCN1CCCN(C(=O)[C@@H](O)C(C)C)CC1 ZINC000368277010 169192501 /nfs/dbraw/zinc/19/25/01/169192501.db2.gz PKMXFQOEIIQYGW-LBPRGKRZSA-N 0 3 242.363 0.948 20 0 BCADHN CCCN1CCCN([C@@H]2CCN(C)C2=O)CC1 ZINC000116280396 169193448 /nfs/dbraw/zinc/19/34/48/169193448.db2.gz SIINSKHEIWOFRX-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN CCCN1CCCN(C(=O)[C@H](O)C(C)C)CC1 ZINC000367576236 169193732 /nfs/dbraw/zinc/19/37/32/169193732.db2.gz PKMXFQOEIIQYGW-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCC(=O)OC ZINC000330710979 169197733 /nfs/dbraw/zinc/19/77/33/169197733.db2.gz XKSKMNLUECFLMP-VIFPVBQESA-N 0 3 228.292 0.150 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CCNCC1 ZINC000040508164 169198137 /nfs/dbraw/zinc/19/81/37/169198137.db2.gz OSKSWZHBPYCDCM-NSHDSACASA-N 0 3 225.336 0.293 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CC(CO)C1 ZINC000358111611 169198387 /nfs/dbraw/zinc/19/83/87/169198387.db2.gz OKTMHYYBZFAYIH-NSHDSACASA-N 0 3 226.320 0.312 20 0 BCADHN CCCN1CCC[C@H]1CNS(=O)(=O)NCC ZINC000352501179 169199794 /nfs/dbraw/zinc/19/97/94/169199794.db2.gz SIQDNFBAYQSDFT-JTQLQIEISA-N 0 3 249.380 0.305 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCc1c[nH]cn1 ZINC000331288874 169200354 /nfs/dbraw/zinc/20/03/54/169200354.db2.gz NTHIWMBRCZUPCR-NSHDSACASA-N 0 3 236.319 0.900 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCc1ncc[nH]1 ZINC000114339036 169200683 /nfs/dbraw/zinc/20/06/83/169200683.db2.gz MMXBHUXSDHKGMV-JTQLQIEISA-N 0 3 236.319 0.900 20 0 BCADHN CCCNC(=O)CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000361749842 169223162 /nfs/dbraw/zinc/22/31/62/169223162.db2.gz GCDDCAVIEYBMFT-RYUDHWBXSA-N 0 3 240.347 0.871 20 0 BCADHN CCCNC(=O)CNC1(CC(=O)OC)CCC1 ZINC000353001536 169226370 /nfs/dbraw/zinc/22/63/70/169226370.db2.gz RGOGGTOFUGYZFP-UHFFFAOYSA-N 0 3 242.319 0.588 20 0 BCADHN CCCNC(=O)CN[C@@H](C)Cn1cccn1 ZINC000042540467 169227041 /nfs/dbraw/zinc/22/70/41/169227041.db2.gz NUKOPNHVHTWXIZ-JTQLQIEISA-N 0 3 224.308 0.387 20 0 BCADHN CCCNC(=O)CN[C@@H]1CSC[C@@H]1C ZINC000308520369 169229341 /nfs/dbraw/zinc/22/93/41/169229341.db2.gz HIDVIKZJULXGSB-DTWKUNHWSA-N 0 3 216.350 0.854 20 0 BCADHN CCCNC(=O)CN[C@H]1CCO[C@@H]1C ZINC000119876696 169229607 /nfs/dbraw/zinc/22/96/07/169229607.db2.gz GJJFOVIPTBFVFN-BDAKNGLRSA-N 0 3 200.282 0.280 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCO[C@H]1C ZINC000119876798 169229796 /nfs/dbraw/zinc/22/97/96/169229796.db2.gz GJJFOVIPTBFVFN-DTWKUNHWSA-N 0 3 200.282 0.280 20 0 BCADHN c1cc(CN2CCC[C@@H](c3nc[nH]n3)C2)n[nH]1 ZINC000371330039 183343199 /nfs/dbraw/zinc/34/31/99/183343199.db2.gz AGFLRUSSYWDVCB-SECBINFHSA-N 0 3 232.291 0.907 20 0 BCADHN CCCN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135726627 169208115 /nfs/dbraw/zinc/20/81/15/169208115.db2.gz HJHDBOZGVNFZHN-NSHDSACASA-N 0 3 246.376 0.896 20 0 BCADHN CCCN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889758 169208407 /nfs/dbraw/zinc/20/84/07/169208407.db2.gz DCENGSAFXHFANJ-QMMMGPOBSA-N 0 3 206.311 0.020 20 0 BCADHN c1cc(CN[C@@H]2CCN(C3CC3)C2)n[nH]1 ZINC000044686064 183351549 /nfs/dbraw/zinc/35/15/49/183351549.db2.gz HLAMIJHKUOYCNN-SNVBAGLBSA-N 0 3 206.293 0.736 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@H](N)CCC ZINC000045088679 169216792 /nfs/dbraw/zinc/21/67/92/169216792.db2.gz UWXCKROJNZQKBK-SECBINFHSA-N 0 3 229.324 0.146 20 0 BCADHN CCCNC(=O)CN1CCCC[C@H](CO)C1 ZINC000374048546 169220427 /nfs/dbraw/zinc/22/04/27/169220427.db2.gz FPCXMSLGRVQODN-NSHDSACASA-N 0 3 228.336 0.607 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CCC[C@H](CO)CC1 ZINC000339755309 169241426 /nfs/dbraw/zinc/24/14/26/169241426.db2.gz XJBMGWUWXSCCNH-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@H](O)[C@H](CC)C1 ZINC000341021885 169245831 /nfs/dbraw/zinc/24/58/31/169245831.db2.gz WRJHDTDWTBFUOS-AXFHLTTASA-N 0 3 228.336 0.604 20 0 BCADHN CCCNC(=O)[C@H](C)N1CCCN(CC)CC1 ZINC000118826103 169245898 /nfs/dbraw/zinc/24/58/98/169245898.db2.gz FKQXWPXVXQBXLC-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@H](C)[C@@H](CO)C1 ZINC000362091149 169246144 /nfs/dbraw/zinc/24/61/44/169246144.db2.gz RSZZCASPJXNLTM-GARJFASQSA-N 0 3 228.336 0.461 20 0 BCADHN CCCNC(=O)[C@H](C)NC[C@H](O)COC(C)C ZINC000049203311 169246954 /nfs/dbraw/zinc/24/69/54/169246954.db2.gz HRVQLCWQFGAHSP-QWRGUYRKSA-N 0 3 246.351 0.277 20 0 BCADHN CCCOCC(=O)N(C)CCN1CCCC1 ZINC000103115622 169301368 /nfs/dbraw/zinc/30/13/68/169301368.db2.gz DDSZTFJDWFVHFU-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN CCCOCC(=O)N1CCN(C)CC[C@H]1C ZINC000353995878 169303549 /nfs/dbraw/zinc/30/35/49/169303549.db2.gz ICNKQWGFGROTFX-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCC[C@@H](C(=O)N(C)Cc1ncon1)N(C)C ZINC000272272892 169342910 /nfs/dbraw/zinc/34/29/10/169342910.db2.gz SHCCNEMLDKPDQH-VIFPVBQESA-N 0 3 240.307 0.758 20 0 BCADHN CCC[C@@H](C(=O)N1CC[C@@H](CO)C1)N(C)C ZINC000305739381 169343866 /nfs/dbraw/zinc/34/38/66/169343866.db2.gz ZLXNOYOEAINYCB-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN CCC[C@@H](C(=O)N[C@H](C)c1ncon1)N(C)C ZINC000272203653 169345330 /nfs/dbraw/zinc/34/53/30/169345330.db2.gz QDTGOOHEGGIYQR-BDAKNGLRSA-N 0 3 240.307 0.977 20 0 BCADHN CCC[C@@H](C(=O)N[C@@H](C)c1ncon1)N(C)C ZINC000272203659 169345548 /nfs/dbraw/zinc/34/55/48/169345548.db2.gz QDTGOOHEGGIYQR-IUCAKERBSA-N 0 3 240.307 0.977 20 0 BCADHN CCC[C@@H](C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000152504024 169351356 /nfs/dbraw/zinc/35/13/56/169351356.db2.gz QOTOQOZVIFDLHF-ZYHUDNBSSA-N 0 3 230.352 0.851 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCOC2(CCC2)C1 ZINC000236926049 169387649 /nfs/dbraw/zinc/38/76/49/169387649.db2.gz QDOINGURIOIARC-SNVBAGLBSA-N 0 3 226.320 0.895 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCCC[C@@H]1C(=O)OC ZINC000037804401 169388072 /nfs/dbraw/zinc/38/80/72/169388072.db2.gz OWNQXXQIMXWLKF-NXEZZACHSA-N 0 3 242.319 0.668 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000036873393 169388326 /nfs/dbraw/zinc/38/83/26/169388326.db2.gz IXFYQSHRLOHOCU-NXEZZACHSA-N 0 3 241.335 0.193 20 0 BCADHN CCC[C@@H](CN[C@@H]1CCCS(=O)(=O)C1)OC ZINC000356346826 169386037 /nfs/dbraw/zinc/38/60/37/169386037.db2.gz ZAJYSCNYBHVGGC-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)[C@H](C)COC ZINC000037815772 169386912 /nfs/dbraw/zinc/38/69/12/169386912.db2.gz VHSLGWRMSPUDOF-RKDXNWHRSA-N 0 3 202.298 0.607 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N1CCCC1 ZINC000221171090 134317088 /nfs/dbraw/zinc/31/70/88/134317088.db2.gz XTJYKZISSMKGFQ-JTQLQIEISA-N 0 3 211.309 0.886 20 0 BCADHN CCC[C@@H](N)C(=O)NCc1nc(C)no1 ZINC000038035046 169390147 /nfs/dbraw/zinc/39/01/47/169390147.db2.gz BZSQRXWNAMHQRS-SSDOTTSWSA-N 0 3 212.253 0.122 20 0 BCADHN CCC[C@@H](N)C(=O)NC[C@@H](O)c1ccccc1 ZINC000036873227 169388965 /nfs/dbraw/zinc/38/89/65/169388965.db2.gz HLBFYAVOMIOISU-VXGBXAGGSA-N 0 3 236.315 0.964 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@]1(C)CCOC1 ZINC000119136423 169390480 /nfs/dbraw/zinc/39/04/80/169390480.db2.gz PLRVVPLCIUHAGX-SCZZXKLOSA-N 0 3 200.282 0.409 20 0 BCADHN CCC[C@@H](N)C(=O)NCc1noc(C2CC2)n1 ZINC000353732317 169391124 /nfs/dbraw/zinc/39/11/24/169391124.db2.gz XJNLGFLBUKSRNF-MRVPVSSYSA-N 0 3 238.291 0.691 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1nncs1 ZINC000223764614 169392524 /nfs/dbraw/zinc/39/25/24/169392524.db2.gz CGPPKBVECXOGHV-RXMQYKEDSA-N 0 3 200.267 0.604 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H]1CCc2nccn2C1 ZINC000378498645 169391877 /nfs/dbraw/zinc/39/18/77/169391877.db2.gz QFQUFRAEAIRMCD-VHSXEESVSA-N 0 3 236.319 0.442 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H]1CCCN(CC)C1 ZINC000040503645 169392378 /nfs/dbraw/zinc/39/23/78/169392378.db2.gz WXLANANQACWFBT-WDEREUQCSA-N 0 3 227.352 0.714 20 0 BCADHN CCNC(=O)[C@@H](C)NC1CC(OC)C1 ZINC000221252221 134322570 /nfs/dbraw/zinc/32/25/70/134322570.db2.gz HHAABJRRVONTEH-AFPNSQJFSA-N 0 3 200.282 0.278 20 0 BCADHN CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)C(=O)OC ZINC000359011317 169397098 /nfs/dbraw/zinc/39/70/98/169397098.db2.gz HBNSKQMEGBLFLS-NXEZZACHSA-N 0 3 244.335 0.785 20 0 BCADHN CCC[C@@H](NC(C)C)C(=O)N1CC(=O)N(C)C1 ZINC000355772479 169397495 /nfs/dbraw/zinc/39/74/95/169397495.db2.gz ZQRFUEGAOWUVPQ-SNVBAGLBSA-N 0 3 241.335 0.411 20 0 BCADHN CS(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000222576581 134332846 /nfs/dbraw/zinc/33/28/46/134332846.db2.gz PANOJVZCFGKTCB-IUCAKERBSA-N 0 3 218.322 0.162 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)OC ZINC000223704524 134339261 /nfs/dbraw/zinc/33/92/61/134339261.db2.gz UDHKUONZQFGYHK-DJLDLDEBSA-N 0 3 202.298 0.511 20 0 BCADHN CCC[C@@](C)(O)C(=O)NC1CCN(C)CC1 ZINC000358711226 169455129 /nfs/dbraw/zinc/45/51/29/169455129.db2.gz BMCMRMNMCYYHCM-GFCCVEGCSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000223803920 134342880 /nfs/dbraw/zinc/34/28/80/134342880.db2.gz JKAHOAFTVFOSLV-GMTAPVOTSA-N 0 3 249.376 0.560 20 0 BCADHN CCC[C@H](N)C(=O)NCCCc1cnn(C)c1 ZINC000158046620 169501635 /nfs/dbraw/zinc/50/16/35/169501635.db2.gz OIBUJDQHWWOYTF-NSHDSACASA-N 0 3 238.335 0.596 20 0 BCADHN CCOC1CC(N[C@H](C)CS(=O)(=O)CC)C1 ZINC000224426023 134347406 /nfs/dbraw/zinc/34/74/06/134347406.db2.gz ZIIFNXRKRDMSMR-KPPDAEKUSA-N 0 3 249.376 0.967 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000037621092 169545810 /nfs/dbraw/zinc/54/58/10/169545810.db2.gz GKHRCRVAXUOGPD-CABZTGNLSA-N 0 3 241.335 0.228 20 0 BCADHN CCC[C@@H](N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000225391043 134355010 /nfs/dbraw/zinc/35/50/10/134355010.db2.gz LAPHIIJMLGYTTB-PHDIDXHHSA-N 0 3 228.214 0.153 20 0 BCADHN CNC(=O)[C@H](NCCOCCOC)C(C)C ZINC000183665025 134355643 /nfs/dbraw/zinc/35/56/43/134355643.db2.gz ZVGYPWVGROLUOC-SNVBAGLBSA-N 0 3 232.324 0.010 20 0 BCADHN Cc1cc(CNC[C@H]2CCCN2C)n(C)n1 ZINC000226054881 134358728 /nfs/dbraw/zinc/35/87/28/134358728.db2.gz BRHIACKAOFLNKV-LLVKDONJSA-N 0 3 222.336 0.912 20 0 BCADHN CCC[C@](C)(N)C(=O)NC[C@H](O)C(F)(F)F ZINC000226321385 134360516 /nfs/dbraw/zinc/36/05/16/134360516.db2.gz PWFIRTKEQGWDMI-XPUUQOCRSA-N 0 3 242.241 0.543 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCOCC1CC1 ZINC000226325754 134360468 /nfs/dbraw/zinc/36/04/68/134360468.db2.gz LFQAQSAAESJECH-NSHDSACASA-N 0 3 228.336 0.903 20 0 BCADHN COCCN1CCN(C[C@H]2C[C@H]2C)CC1 ZINC000488310261 532966948 /nfs/dbraw/zinc/96/69/48/532966948.db2.gz GYFDTRZQMASWIN-VXGBXAGGSA-N 0 3 212.337 0.906 20 0 BCADHN COCCN1CCN(CCOC)C(C)(C)C1 ZINC000174872815 532965254 /nfs/dbraw/zinc/96/52/54/532965254.db2.gz UQHKJRMWNFDBBQ-UHFFFAOYSA-N 0 3 230.352 0.675 20 0 BCADHN CCCC[C@H](N)C(=O)NCC(C)(C)C(=O)NC ZINC000226691712 134368667 /nfs/dbraw/zinc/36/86/67/134368667.db2.gz NKTYTBVYFGORKR-VIFPVBQESA-N 0 3 243.351 0.392 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000226831593 134369908 /nfs/dbraw/zinc/36/99/08/134369908.db2.gz GIIVLQQOIGBZLR-VWYCJHECSA-N 0 3 248.392 0.492 20 0 BCADHN COCCCN1CCO[C@]2(CCOC2)C1 ZINC000185216400 134375210 /nfs/dbraw/zinc/37/52/10/134375210.db2.gz VCSICRIUPBQNCO-LLVKDONJSA-N 0 3 215.293 0.514 20 0 BCADHN CCCN(CCC)C(=O)[C@H](CN)OC ZINC000227342049 134378316 /nfs/dbraw/zinc/37/83/16/134378316.db2.gz AYRKXWHNMPDLIG-VIFPVBQESA-N 0 3 202.298 0.609 20 0 BCADHN CNCC(=O)NCC1CCC(F)CC1 ZINC000647097516 383820453 /nfs/dbraw/zinc/82/04/53/383820453.db2.gz QCQJIZBRFJIOCQ-UHFFFAOYSA-N 0 3 202.273 0.850 20 0 BCADHN COC(=O)c1cc(CNCCCO)oc1C ZINC000034981210 383821306 /nfs/dbraw/zinc/82/13/06/383821306.db2.gz MEBNCQSOXGZFCG-UHFFFAOYSA-N 0 3 227.260 0.847 20 0 BCADHN OC[C@H]1CCN(CCN2CCCCC2)C[C@@H]1O ZINC000558168037 383825873 /nfs/dbraw/zinc/82/58/73/383825873.db2.gz ZFDAOBUNUFCHDF-OLZOCXBDSA-N 0 3 242.363 0.147 20 0 BCADHN CC(C)CCOCCN1C[C@H](CO)[C@H](O)C1 ZINC000317514306 383841466 /nfs/dbraw/zinc/84/14/66/383841466.db2.gz VDSHOHHKBDZNAA-VXGBXAGGSA-N 0 3 231.336 0.334 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H](C)CN1CCCC1=O ZINC000037769227 383842954 /nfs/dbraw/zinc/84/29/54/383842954.db2.gz DTRFEYRVRKNDMY-KOLCDFICSA-N 0 3 241.335 0.097 20 0 BCADHN CCN(C[C@@H](C)O)C(=O)N[C@H](C)CN(C)C ZINC000358526210 383852401 /nfs/dbraw/zinc/85/24/01/383852401.db2.gz OMZUXDRWQMIYOZ-NXEZZACHSA-N 0 3 231.340 0.349 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)C1(N)CCCCC1 ZINC000237070888 383858719 /nfs/dbraw/zinc/85/87/19/383858719.db2.gz SWBWGCRLSWXITA-VIFPVBQESA-N 0 3 242.319 0.573 20 0 BCADHN CC[C@](C)(O)CNCc1c(C)nn(C)c1OC ZINC000111384904 383859792 /nfs/dbraw/zinc/85/97/92/383859792.db2.gz SGUAAVAGPGFZET-LBPRGKRZSA-N 0 3 241.335 0.988 20 0 BCADHN CC[C@@H](CO)NCc1cccc(C(N)=O)c1 ZINC000035603918 383862429 /nfs/dbraw/zinc/86/24/29/383862429.db2.gz INPIXVXXOMQJFQ-NSHDSACASA-N 0 3 222.288 0.646 20 0 BCADHN CC[C@H](N)C(=O)N1CCN(CC2CC2)CC1 ZINC000037816825 383864698 /nfs/dbraw/zinc/86/46/98/383864698.db2.gz BNUQGNRDEBSXHJ-NSHDSACASA-N 0 3 225.336 0.278 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCC(CC(N)=O)CC1 ZINC000037821158 383865029 /nfs/dbraw/zinc/86/50/29/383865029.db2.gz PVVGXGXCWPPJSB-LLVKDONJSA-N 0 3 241.335 0.084 20 0 BCADHN CN(C)CCNC(=O)Cc1ccccc1O ZINC000087797760 383866818 /nfs/dbraw/zinc/86/68/18/383866818.db2.gz CVHFRPOCFKLRQR-UHFFFAOYSA-N 0 3 222.288 0.613 20 0 BCADHN C[C@H](NCC(N)=O)[C@@H]1COc2ccccc21 ZINC000185587318 134381944 /nfs/dbraw/zinc/38/19/44/134381944.db2.gz URNATRYDVGKSDL-WPRPVWTQSA-N 0 3 220.272 0.626 20 0 BCADHN CC(C(=O)N1CCCC12CCC2)S(C)(=O)=O ZINC000336429972 383869430 /nfs/dbraw/zinc/86/94/30/383869430.db2.gz AHBKMZUTFRTCAA-SECBINFHSA-N 0 3 245.344 0.965 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H]1CCO ZINC000358520414 383832343 /nfs/dbraw/zinc/83/23/43/383832343.db2.gz HMHKRADCDYEZJN-WDEREUQCSA-N 0 3 243.351 0.493 20 0 BCADHN Cn1ccc(CNCCc2cnn(C)c2)n1 ZINC000112341906 383920026 /nfs/dbraw/zinc/92/00/26/383920026.db2.gz OSVAMOPQQZKRLS-UHFFFAOYSA-N 0 3 219.292 0.486 20 0 BCADHN COC(C)(C)CCN1C[C@H](CO)OC[C@H]1C ZINC000300047846 383921891 /nfs/dbraw/zinc/92/18/91/383921891.db2.gz VDBXSOHBOMORJA-GHMZBOCLSA-N 0 3 231.336 0.883 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000036999352 383929054 /nfs/dbraw/zinc/92/90/54/383929054.db2.gz IGUUPQDLYKNQCR-VHSXEESVSA-N 0 3 224.308 0.371 20 0 BCADHN COC(=O)c1cccc(NC(=O)C2(N)CC2)c1 ZINC000088130929 383882206 /nfs/dbraw/zinc/88/22/06/383882206.db2.gz NNBQZZWZDHSBGM-UHFFFAOYSA-N 0 3 234.255 0.903 20 0 BCADHN Cc1nnc(NC(=O)[C@@H](N)C(C)(C)C)n1C ZINC000648171295 383883591 /nfs/dbraw/zinc/88/35/91/383883591.db2.gz ZCWVFBYQXDJBOH-SSDOTTSWSA-N 0 3 225.296 0.435 20 0 BCADHN COC[C@]1(C)CCN([C@H]2CC(=O)N(C)C2=O)C1 ZINC000560080088 383884327 /nfs/dbraw/zinc/88/43/27/383884327.db2.gz ZRDWHBDPMLZXIH-JOYOIKCWSA-N 0 3 240.303 0.102 20 0 BCADHN C[C@@H](CN1CCCCC1)NS(C)(=O)=O ZINC000070226785 383892532 /nfs/dbraw/zinc/89/25/32/383892532.db2.gz HSPQIFKMSNXTHX-VIFPVBQESA-N 0 3 220.338 0.410 20 0 BCADHN CCN(C)CCNC(=O)NCc1ccccn1 ZINC000066982727 383902835 /nfs/dbraw/zinc/90/28/35/383902835.db2.gz ABTIHHPCVIUBST-UHFFFAOYSA-N 0 3 236.319 0.833 20 0 BCADHN CCc1nc(CN[C@H]2COCC2(C)C)n[nH]1 ZINC000313116145 383903826 /nfs/dbraw/zinc/90/38/26/383903826.db2.gz OUSDJRLSXVJDTA-QMMMGPOBSA-N 0 3 224.308 0.882 20 0 BCADHN FC(F)[C@H]1CNCCN1CC[C@@H]1CCOC1 ZINC000569362377 383904966 /nfs/dbraw/zinc/90/49/66/383904966.db2.gz DHNDZTGLEMHTHD-NXEZZACHSA-N 0 3 234.290 0.952 20 0 BCADHN O=S(=O)(NCCNC1CC1)c1ccsc1 ZINC000647210679 383905057 /nfs/dbraw/zinc/90/50/57/383905057.db2.gz SYLMVXRQCZWPGS-UHFFFAOYSA-N 0 3 246.357 0.778 20 0 BCADHN CO[C@H](CN[C@@]1(CO)CCOC1)C1CC1 ZINC000400241297 383978794 /nfs/dbraw/zinc/97/87/94/383978794.db2.gz WXGXEOHABDNTLE-GHMZBOCLSA-N 0 3 215.293 0.152 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H](COC)C1CC1 ZINC000089634637 383982648 /nfs/dbraw/zinc/98/26/48/383982648.db2.gz UVJZSWMWHKZYRC-MWLCHTKSSA-N 0 3 249.376 0.824 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1COc2ccccc21 ZINC000113446915 383986001 /nfs/dbraw/zinc/98/60/01/383986001.db2.gz STGNDVWBERHJLD-LLVKDONJSA-N 0 3 234.299 0.840 20 0 BCADHN Cc1noc(CCCN2CC[C@@](C)(O)C2)n1 ZINC000407949318 383987286 /nfs/dbraw/zinc/98/72/86/383987286.db2.gz QDRBXFZPJORJKG-LLVKDONJSA-N 0 3 225.292 0.767 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000037621625 383992247 /nfs/dbraw/zinc/99/22/47/383992247.db2.gz CTVWITCYDLSTCQ-CMPLNLGQSA-N 0 3 238.335 0.905 20 0 BCADHN Cc1cc(CC(=O)N(C)CCN(C)C)n(C)n1 ZINC000518538781 383994820 /nfs/dbraw/zinc/99/48/20/383994820.db2.gz QEGLIUBALVCXMQ-UHFFFAOYSA-N 0 3 238.335 0.291 20 0 BCADHN CC(C)N1CC[C@@H](N2CCC[C@H](O)CC2)C1=O ZINC000336485884 383997268 /nfs/dbraw/zinc/99/72/68/383997268.db2.gz HMZZQEMYMBJBJS-NWDGAFQWSA-N 0 3 240.347 0.843 20 0 BCADHN CO[C@@H]1C[C@H](N[C@@H](C)CS(C)(=O)=O)C1(C)C ZINC000223810329 383936762 /nfs/dbraw/zinc/93/67/62/383936762.db2.gz WUQSIMBXNVIOAY-LPEHRKFASA-N 0 3 249.376 0.823 20 0 BCADHN COC[C@@H](O)CNCc1cnc(C)s1 ZINC000070558810 383940684 /nfs/dbraw/zinc/94/06/84/383940684.db2.gz RPNFZGGHVBLQFL-QMMMGPOBSA-N 0 3 216.306 0.548 20 0 BCADHN CO[C@@H](CNCC1(S(C)(=O)=O)CC1)C1CC1 ZINC000400236374 383944251 /nfs/dbraw/zinc/94/42/51/383944251.db2.gz VCJUBZKDKJBRAX-JTQLQIEISA-N 0 3 247.360 0.578 20 0 BCADHN CC[C@@H](COC)NC(=O)[C@@H](N)C(C)C ZINC000070626172 383945868 /nfs/dbraw/zinc/94/58/68/383945868.db2.gz HABAVJAIZKJGII-IUCAKERBSA-N 0 3 202.298 0.511 20 0 BCADHN CCN(C)CCNC(=O)c1ccc(C(N)=O)cc1 ZINC000112925544 383958451 /nfs/dbraw/zinc/95/84/51/383958451.db2.gz YIIIXDQQUSVLRS-UHFFFAOYSA-N 0 3 249.314 0.467 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@H]1CO[C@@H](C)C1 ZINC000401777830 383976383 /nfs/dbraw/zinc/97/63/83/383976383.db2.gz FOSKERWALZDCMX-LPEHRKFASA-N 0 3 214.309 0.667 20 0 BCADHN CC(C)CCNC(=O)NC[C@](C)(O)CN(C)C ZINC000119918682 384016078 /nfs/dbraw/zinc/01/60/78/384016078.db2.gz ZLSDBKWXMKCTPC-LBPRGKRZSA-N 0 3 245.367 0.644 20 0 BCADHN CC(C)CCNC(=O)NC[C@@](C)(O)CN(C)C ZINC000119918848 384016416 /nfs/dbraw/zinc/01/64/16/384016416.db2.gz ZLSDBKWXMKCTPC-GFCCVEGCSA-N 0 3 245.367 0.644 20 0 BCADHN C[C@H](NC[C@H]1CN(C)CCN1C)c1cccnc1 ZINC000068801967 384016419 /nfs/dbraw/zinc/01/64/19/384016419.db2.gz ZOFRQXZPASPMLO-JSGCOSHPSA-N 0 3 248.374 0.978 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCS(=O)CC1 ZINC000049692717 384016854 /nfs/dbraw/zinc/01/68/54/384016854.db2.gz HRNCZONIHBENCS-JTQLQIEISA-N 0 3 232.349 0.095 20 0 BCADHN CC(C)=CCN1CCN2CCOC[C@@H]2C1 ZINC000336502911 384020727 /nfs/dbraw/zinc/02/07/27/384020727.db2.gz VYAFARXOEZBQPS-LBPRGKRZSA-N 0 3 210.321 0.969 20 0 BCADHN C[C@]1(O)CCN(Cc2ccnc(N)c2)C1 ZINC000278541112 384005365 /nfs/dbraw/zinc/00/53/65/384005365.db2.gz RZPRYIOPHGIJQA-NSHDSACASA-N 0 3 207.277 0.621 20 0 BCADHN CO[C@@H](CNC(C)(C)CS(C)(=O)=O)C1CC1 ZINC000400259996 384005792 /nfs/dbraw/zinc/00/57/92/384005792.db2.gz HOLMFZPWIQDSPU-JTQLQIEISA-N 0 3 249.376 0.824 20 0 BCADHN O=C1NC[C@@H]2CN(C[C@H]3CCCOC3)CCN12 ZINC000336495610 384009417 /nfs/dbraw/zinc/00/94/17/384009417.db2.gz VQZHFPGYZGPDQM-GHMZBOCLSA-N 0 3 239.319 0.122 20 0 BCADHN CCN(CC(C)(C)O)C[C@@](C)(O)C(C)=O ZINC000332469519 384009376 /nfs/dbraw/zinc/00/93/76/384009376.db2.gz LDLYDMZNYKQCTP-LLVKDONJSA-N 0 3 217.309 0.419 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)CO ZINC000518559573 384009502 /nfs/dbraw/zinc/00/95/02/384009502.db2.gz BFBFQUKMAVPYLO-MWLCHTKSSA-N 0 3 240.347 0.604 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1ccc(=O)n(C)c1 ZINC000037770258 384013646 /nfs/dbraw/zinc/01/36/46/384013646.db2.gz MCIHKHYCYSLQME-JTQLQIEISA-N 0 3 223.276 0.307 20 0 BCADHN C[C@H](Cn1cccn1)NC(=O)[C@H](C)NC1CC1 ZINC000296272179 384013845 /nfs/dbraw/zinc/01/38/45/384013845.db2.gz DTPSQQXDIIBVEL-ZJUUUORDSA-N 0 3 236.319 0.528 20 0 BCADHN COC[C@@H](O)CNCc1ccc(F)nc1C ZINC000278575526 384015693 /nfs/dbraw/zinc/01/56/93/384015693.db2.gz XXFYQDASBGGARF-JTQLQIEISA-N 0 3 228.267 0.626 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N1CCN(C)CC[C@H]1C ZINC000336520236 384044008 /nfs/dbraw/zinc/04/40/08/384044008.db2.gz UDCKEASUTLIKRJ-NXEZZACHSA-N 0 3 241.335 0.064 20 0 BCADHN CCn1nccc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000648127695 384053763 /nfs/dbraw/zinc/05/37/63/384053763.db2.gz MLRSCFWTTGMWGY-VHSXEESVSA-N 0 3 236.319 0.725 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccnc(CN)c1 ZINC000648127659 384053793 /nfs/dbraw/zinc/05/37/93/384053793.db2.gz DTWGHGUJIJFWOG-VHSXEESVSA-N 0 3 248.330 0.363 20 0 BCADHN CCCNS(=O)(=O)N1CCN[C@@H](C(C)C)C1 ZINC000647255725 384028433 /nfs/dbraw/zinc/02/84/33/384028433.db2.gz MZOKREHDZGOMSR-SNVBAGLBSA-N 0 3 249.380 0.161 20 0 BCADHN Cc1cc(C(=O)NC[C@](C)(O)CN(C)C)on1 ZINC000152735619 384029929 /nfs/dbraw/zinc/02/99/29/384029929.db2.gz LBDRKNZEZITYKA-NSHDSACASA-N 0 3 241.291 0.025 20 0 BCADHN CC[C@H](COC)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000090181844 384030584 /nfs/dbraw/zinc/03/05/84/384030584.db2.gz LNABJFKDNDSJHH-NXEZZACHSA-N 0 3 226.320 0.764 20 0 BCADHN Cn1cc(CN2CCCC[C@H]2CO)cn1 ZINC000049751990 384034051 /nfs/dbraw/zinc/03/40/51/384034051.db2.gz MTPIAEALUPUBCN-NSHDSACASA-N 0 3 209.293 0.767 20 0 BCADHN CN(CCO)C[C@@H](O)COCc1ccccc1 ZINC000070192074 384085242 /nfs/dbraw/zinc/08/52/42/384085242.db2.gz WGKUECDARZFVKX-CYBMUJFWSA-N 0 3 239.315 0.488 20 0 BCADHN COC[C@@H](O)CCN[C@H](C)c1cnn(C)c1 ZINC000090949955 384086574 /nfs/dbraw/zinc/08/65/74/384086574.db2.gz VKQDRZIWYKKHSH-KOLCDFICSA-N 0 3 227.308 0.468 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cocn2)[C@@H]1C ZINC000648127723 384054775 /nfs/dbraw/zinc/05/47/75/384054775.db2.gz SXVCZCXLCFCMFD-HTQZYQBOSA-N 0 3 209.249 0.497 20 0 BCADHN Cn1c(NC(=O)C2(N)CC2)nc2cccnc21 ZINC000648172030 384057513 /nfs/dbraw/zinc/05/75/13/384057513.db2.gz YZKARVLLRNBEEZ-UHFFFAOYSA-N 0 3 231.259 0.398 20 0 BCADHN CO[C@@H]1CCCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000076245031 384059058 /nfs/dbraw/zinc/05/90/58/384059058.db2.gz YYBXJUWBSXFUKH-DTWKUNHWSA-N 0 3 249.332 0.057 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000309407579 384069143 /nfs/dbraw/zinc/06/91/43/384069143.db2.gz IDKAVGJGKKLGPY-VHSXEESVSA-N 0 3 214.309 0.607 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCN2C(=O)CC[C@H]2C1 ZINC000310174683 384073684 /nfs/dbraw/zinc/07/36/84/384073684.db2.gz QVISUWLEFJHGNN-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC[C@H](OC)C1CC1 ZINC000400281281 384074354 /nfs/dbraw/zinc/07/43/54/384074354.db2.gz RMLKPOZWICAYRE-ONGXEEELSA-N 0 3 228.336 0.868 20 0 BCADHN CCO[C@@H]1CCC[C@H]1N[C@H]1CCCNC1=O ZINC000309449714 384077996 /nfs/dbraw/zinc/07/79/96/384077996.db2.gz KTLRVZZKNYECTJ-OUAUKWLOSA-N 0 3 226.320 0.812 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCOC[C@@H](C)C1 ZINC000371569892 384081038 /nfs/dbraw/zinc/08/10/38/384081038.db2.gz MMWVFWBRVWANDD-CMPLNLGQSA-N 0 3 228.336 0.999 20 0 BCADHN COCC[C@H](C)N[C@H](CO)c1cnn(C)c1 ZINC000090884246 384081831 /nfs/dbraw/zinc/08/18/31/384081831.db2.gz VJNSNBRLGWSXEP-GXSJLCMTSA-N 0 3 227.308 0.468 20 0 BCADHN CCC[C@](C)(N)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000262647555 384117962 /nfs/dbraw/zinc/11/79/62/384117962.db2.gz TURQUDMKGYRBJA-NSHDSACASA-N 0 3 238.291 0.570 20 0 BCADHN O=C(NCCN1CCCCC1)C1(O)CCCC1 ZINC000408092073 134390608 /nfs/dbraw/zinc/39/06/08/134390608.db2.gz JTGZSKSUYNDFPH-UHFFFAOYSA-N 0 3 240.347 0.894 20 0 BCADHN COCCn1cc(CN2CC[C@H](CO)C2)cn1 ZINC000332660596 384104476 /nfs/dbraw/zinc/10/44/76/384104476.db2.gz OMOGITLJERBGLN-NSHDSACASA-N 0 3 239.319 0.344 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@@H](N2CCCCC2)C1 ZINC000336553494 384114418 /nfs/dbraw/zinc/11/44/18/384114418.db2.gz PKLPLNKXPITANM-NEPJUHHUSA-N 0 3 237.347 0.435 20 0 BCADHN O=C1CCCN1[C@@H]1CCCN([C@H]2CCOC2)C1 ZINC000336553180 384114590 /nfs/dbraw/zinc/11/45/90/384114590.db2.gz RRNMSDYQQYVQFU-NEPJUHHUSA-N 0 3 238.331 0.862 20 0 BCADHN Cc1cncn1CC(=O)N[C@H]1CCCN(C)C1 ZINC000528437766 384094940 /nfs/dbraw/zinc/09/49/40/384094940.db2.gz ROGPAUOSCWRAAY-NSHDSACASA-N 0 3 236.319 0.402 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000237315640 384137366 /nfs/dbraw/zinc/13/73/66/384137366.db2.gz FALNCJSPWVWDGY-USWWRNFRSA-N 0 3 234.299 0.980 20 0 BCADHN CCOC[C@H](O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000302267459 384120825 /nfs/dbraw/zinc/12/08/25/384120825.db2.gz CNYWAHAVIRZUDG-MWLCHTKSSA-N 0 3 242.323 0.331 20 0 BCADHN C[C@H](Cn1cccn1)N[C@@H]1CCN(C)C1=O ZINC000070583154 384122162 /nfs/dbraw/zinc/12/21/62/384122162.db2.gz XJDOJKKWNFTRSN-NXEZZACHSA-N 0 3 222.292 0.092 20 0 BCADHN CC(C)[C@@H](N)c1cn([C@@H](C)C(=O)N(C)C)nn1 ZINC000302344134 384147361 /nfs/dbraw/zinc/14/73/61/384147361.db2.gz MHUWACPNCFLJFP-WCBMZHEXSA-N 0 3 239.323 0.583 20 0 BCADHN CC(C)[C@H](CCO)N[C@H](C)CS(C)(=O)=O ZINC000132217342 384148387 /nfs/dbraw/zinc/14/83/87/384148387.db2.gz RASAHAPQYXYGCE-ZJUUUORDSA-N 0 3 237.365 0.416 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCCCn1ccnc1 ZINC000040459269 384153742 /nfs/dbraw/zinc/15/37/42/384153742.db2.gz VTUVIDHNSTWDHP-SNVBAGLBSA-N 0 3 238.335 0.763 20 0 BCADHN COCCN(CCO)Cc1ccn(C)c1 ZINC000093005772 384154244 /nfs/dbraw/zinc/15/42/44/384154244.db2.gz DUTYBMFDXKNENF-UHFFFAOYSA-N 0 3 212.293 0.466 20 0 BCADHN O[C@@H]1C[C@H](O)CN(CCOCC2CCC2)C1 ZINC000642692162 384141087 /nfs/dbraw/zinc/14/10/87/384141087.db2.gz HIXCVZDEDSACLG-TXEJJXNPSA-N 0 3 229.320 0.231 20 0 BCADHN CCC[C@](C)(N)C(=O)NCc1ccnn1C ZINC000070905761 384141333 /nfs/dbraw/zinc/14/13/33/384141333.db2.gz CLTHRNYPZQOPLK-NSHDSACASA-N 0 3 224.308 0.554 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCn1ccnc1 ZINC000041051056 384175709 /nfs/dbraw/zinc/17/57/09/384175709.db2.gz KVQHOJPRGVGXAX-LLVKDONJSA-N 0 3 224.308 0.517 20 0 BCADHN COC[C@@H](O)CNCc1cnn2ccccc12 ZINC000071271114 384159684 /nfs/dbraw/zinc/15/96/84/384159684.db2.gz MNZLLIQEOFFEOP-NSHDSACASA-N 0 3 235.287 0.431 20 0 BCADHN c1cn(C[C@H]2CCCN(Cc3cnc[nH]3)C2)nn1 ZINC000092070180 384161594 /nfs/dbraw/zinc/16/15/94/384161594.db2.gz PBYLRWVFXYSEHU-NSHDSACASA-N 0 3 246.318 0.913 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(CCO)cc1 ZINC000040739229 384161807 /nfs/dbraw/zinc/16/18/07/384161807.db2.gz LCLWCBULDPLNOH-NSHDSACASA-N 0 3 222.288 0.897 20 0 BCADHN CS[C@H](CO)[C@H](C)NCc1ccnn1C ZINC000080204123 384162496 /nfs/dbraw/zinc/16/24/96/384162496.db2.gz NEBVKVQNZUOMGU-WCBMZHEXSA-N 0 3 229.349 0.622 20 0 BCADHN Cn1nccc1CNCC(C)(C)CCO ZINC000080205987 384162654 /nfs/dbraw/zinc/16/26/54/384162654.db2.gz BCFXZNVELXWQEB-UHFFFAOYSA-N 0 3 211.309 0.918 20 0 BCADHN CSC[C@](C)(O)CNCc1ccnn1C ZINC000080215311 384162867 /nfs/dbraw/zinc/16/28/67/384162867.db2.gz SCJPURHDXGZANR-SNVBAGLBSA-N 0 3 229.349 0.624 20 0 BCADHN CC[N@H+](C)CCNC(=O)c1c([O-])cccc1O ZINC000092121840 384164185 /nfs/dbraw/zinc/16/41/85/384164185.db2.gz BZHWWKOSOSHABQ-UHFFFAOYSA-N 0 3 238.287 0.779 20 0 BCADHN CC[N@@H+](C)CCNC(=O)c1c([O-])cccc1O ZINC000092121840 384164189 /nfs/dbraw/zinc/16/41/89/384164189.db2.gz BZHWWKOSOSHABQ-UHFFFAOYSA-N 0 3 238.287 0.779 20 0 BCADHN CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H](O)CN2)c1 ZINC000040858348 384168353 /nfs/dbraw/zinc/16/83/53/384168353.db2.gz YOJLVDAORKUNCE-RYUDHWBXSA-N 0 3 248.282 0.551 20 0 BCADHN CC(C)(N)C(=O)Nc1cccc(C(N)=O)c1 ZINC000040925510 384169661 /nfs/dbraw/zinc/16/96/61/384169661.db2.gz AKWRPYYDTMEXSJ-UHFFFAOYSA-N 0 3 221.260 0.461 20 0 BCADHN COCCN1CCCC[C@@]1(C)C(N)=O ZINC000185919857 134397308 /nfs/dbraw/zinc/39/73/08/134397308.db2.gz XGAMADIRONZBAC-JTQLQIEISA-N 0 3 200.282 0.363 20 0 BCADHN C[C@@]1(C(N)=O)CCCCN1CCCCCO ZINC000185935075 134397351 /nfs/dbraw/zinc/39/73/51/134397351.db2.gz WKEQNZQDQFYENJ-LBPRGKRZSA-N 0 3 228.336 0.879 20 0 BCADHN CCC[C@@H](N)C(=O)N1CC[C@@H](COC)C1 ZINC000081061602 384180256 /nfs/dbraw/zinc/18/02/56/384180256.db2.gz NUKNWPSUYOMMND-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN CCNC(=O)CCN1CCCC[C@@]1(C)C(N)=O ZINC000185922846 134396984 /nfs/dbraw/zinc/39/69/84/134396984.db2.gz KPDIBTMDWMQGMN-LBPRGKRZSA-N 0 3 241.335 0.243 20 0 BCADHN C[C@H](N)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000564938132 384202066 /nfs/dbraw/zinc/20/20/66/384202066.db2.gz SPDIHMAOVOGQLH-ZETCQYMHSA-N 0 3 221.260 0.019 20 0 BCADHN CCCCOC[C@@H](O)CN1CCCOCC1 ZINC000227906722 134398945 /nfs/dbraw/zinc/39/89/45/134398945.db2.gz UIAVLGCJTYSSOO-LBPRGKRZSA-N 0 3 231.336 0.886 20 0 BCADHN CC(C(=O)N(C)CC(F)(F)F)S(C)(=O)=O ZINC000097392303 384197360 /nfs/dbraw/zinc/19/73/60/384197360.db2.gz ASEVSCYGEQBJFA-RXMQYKEDSA-N 0 3 247.238 0.440 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N(C)CC(C)(C)O ZINC000081747489 384197938 /nfs/dbraw/zinc/19/79/38/384197938.db2.gz PRQHKHFAWOZYRH-QMMMGPOBSA-N 0 3 214.309 0.356 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N[C@H]1CCCOCC1 ZINC000644160354 384231397 /nfs/dbraw/zinc/23/13/97/384231397.db2.gz AKEYWXYZWBELRP-UWVGGRQHSA-N 0 3 226.320 0.670 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)[C@H]1NCC1(C)C ZINC000644160756 384233067 /nfs/dbraw/zinc/23/30/67/384233067.db2.gz DSGCXBAPDMGKQC-DJLDLDEBSA-N 0 3 214.309 0.524 20 0 BCADHN COC(CN[C@@H](C)Cn1cccn1)OC ZINC000082534537 384234740 /nfs/dbraw/zinc/23/47/40/384234740.db2.gz IDZJZRWRJUPRBY-VIFPVBQESA-N 0 3 213.281 0.480 20 0 BCADHN OCC[C@@H]1CCCN1CCc1cnccn1 ZINC000402902219 384238463 /nfs/dbraw/zinc/23/84/63/384238463.db2.gz LWURJDOTOLTTII-LBPRGKRZSA-N 0 3 221.304 0.866 20 0 BCADHN COC(=O)c1ccc(CN[C@H](C)CCO)o1 ZINC000132582282 384239019 /nfs/dbraw/zinc/23/90/19/384239019.db2.gz LLPRQMAIEKXARY-MRVPVSSYSA-N 0 3 227.260 0.927 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1CCc1cnccn1 ZINC000402904495 384239043 /nfs/dbraw/zinc/23/90/43/384239043.db2.gz NCLJAGBOUFQALU-ZYHUDNBSSA-N 0 3 221.304 0.864 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@@H]1CCCO1 ZINC000081898884 384211998 /nfs/dbraw/zinc/21/19/98/384211998.db2.gz HUXQRKBVDGMZHY-IUCAKERBSA-N 0 3 221.322 0.188 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H](O)Cc1ccccc1 ZINC000158224280 384212215 /nfs/dbraw/zinc/21/22/15/384212215.db2.gz XQZUPALVCOJXLN-MWLCHTKSSA-N 0 3 222.288 0.053 20 0 BCADHN OC[C@@H]1CCCN1CCc1cnccn1 ZINC000402885512 384212808 /nfs/dbraw/zinc/21/28/08/384212808.db2.gz BKWQVKNJYNNUHB-NSHDSACASA-N 0 3 207.277 0.476 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCC1(O)CCCCC1 ZINC000081907750 384212903 /nfs/dbraw/zinc/21/29/03/384212903.db2.gz YFZRVCJLMLLVRK-SNVBAGLBSA-N 0 3 249.376 0.704 20 0 BCADHN CC1(C)CCCN(CCCS(N)(=O)=O)C1 ZINC000132863820 384218414 /nfs/dbraw/zinc/21/84/14/384218414.db2.gz WJAXMYBOFDHKAK-UHFFFAOYSA-N 0 3 234.365 0.787 20 0 BCADHN OC[C@@H]1CCCN(CCc2cnccn2)C1 ZINC000402892976 384221859 /nfs/dbraw/zinc/22/18/59/384221859.db2.gz GKTSLINLOZBXQA-LLVKDONJSA-N 0 3 221.304 0.723 20 0 BCADHN CCc1ncc(NC(=O)[C@H]2NCC2(C)C)cn1 ZINC000644155768 384222614 /nfs/dbraw/zinc/22/26/14/384222614.db2.gz JPPMURWEBXTZAK-SNVBAGLBSA-N 0 3 234.303 0.976 20 0 BCADHN COCCNC(=O)NC1CCN(C)CC1 ZINC000082339915 384223058 /nfs/dbraw/zinc/22/30/58/384223058.db2.gz NAIXTNNAHWOPHG-UHFFFAOYSA-N 0 3 215.297 0.026 20 0 BCADHN C[C@H]1C[C@H](CO)CN(CCc2cnccn2)C1 ZINC000402897359 384223242 /nfs/dbraw/zinc/22/32/42/384223242.db2.gz FNTWIXXXBGILJC-RYUDHWBXSA-N 0 3 235.331 0.969 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCCS1 ZINC000082303058 384223390 /nfs/dbraw/zinc/22/33/90/384223390.db2.gz ISRZRBVBLYRRIQ-QMMMGPOBSA-N 0 3 202.323 0.560 20 0 BCADHN CO[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1NCC1(C)C ZINC000644155857 384224048 /nfs/dbraw/zinc/22/40/48/384224048.db2.gz WHHWKYNUFRHQPW-MXWKQRLJSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2NCC2(C)C)CCO1 ZINC000644158189 384226828 /nfs/dbraw/zinc/22/68/28/384226828.db2.gz QXVFYGLJGBIIGF-UTLUCORTSA-N 0 3 226.320 0.668 20 0 BCADHN COCC(=O)N(C)CCN1CCCC1 ZINC000082419065 384227273 /nfs/dbraw/zinc/22/72/73/384227273.db2.gz FSLDKOOPXSCWDV-UHFFFAOYSA-N 0 3 200.282 0.187 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000336606888 384228240 /nfs/dbraw/zinc/22/82/40/384228240.db2.gz ZWRPGDNBSDGZNX-YPMHNXCESA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@H]1C[C@H](NC(=O)C2(N)CC2)CCO1 ZINC000644164941 384243403 /nfs/dbraw/zinc/24/34/03/384243403.db2.gz KXNRTORNXZWEQU-BDAKNGLRSA-N 0 3 212.293 0.552 20 0 BCADHN COC(C)(C)CNC(=O)[C@H]1CCCCN1 ZINC000133415573 384244653 /nfs/dbraw/zinc/24/46/53/384244653.db2.gz FYJMWXLKRPYUQW-SECBINFHSA-N 0 3 214.309 0.670 20 0 BCADHN C[C@@H](N)C(=O)NCc1cc(F)ccc1F ZINC000082599778 384244697 /nfs/dbraw/zinc/24/46/97/384244697.db2.gz QYDVNVMYFFDIKJ-ZCFIWIBFSA-N 0 3 214.215 0.928 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)C[C@@H](O)c1ccccc1 ZINC000119233161 384249811 /nfs/dbraw/zinc/24/98/11/384249811.db2.gz HYNKPHZRCKHMQD-HOSYDEDBSA-N 0 3 236.315 0.962 20 0 BCADHN CCO[C@H]1C[C@@H]1C(=O)N(C)CCN(C)C ZINC000359587262 384277497 /nfs/dbraw/zinc/27/74/97/384277497.db2.gz GKVFPQMTUJLGJT-UWVGGRQHSA-N 0 3 214.309 0.431 20 0 BCADHN CC[C@H]1CN(C)CCN1Cc1cncn1C ZINC000560614190 384255933 /nfs/dbraw/zinc/25/59/33/384255933.db2.gz BLYVARHRLRDISH-NSHDSACASA-N 0 3 222.336 0.946 20 0 BCADHN CC[C@H]1CCCCN1CCNC(=O)NCCO ZINC000113552513 384256856 /nfs/dbraw/zinc/25/68/56/384256856.db2.gz RKGZQZUUKJZFNE-NSHDSACASA-N 0 3 243.351 0.542 20 0 BCADHN N[C@H]1CCCc2cn(CC(=O)N3CCCC3)nc21 ZINC000644167884 384257622 /nfs/dbraw/zinc/25/76/22/384257622.db2.gz JDLZFNBBWIDTNU-NSHDSACASA-N 0 3 248.330 0.842 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCCC[C@@H]1O ZINC000187424212 384261212 /nfs/dbraw/zinc/26/12/12/384261212.db2.gz URJFHDJFGUXQMG-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN CCOCC[C@@H](O)CN[C@@H](C)c1cn[nH]c1 ZINC000278870768 384265236 /nfs/dbraw/zinc/26/52/36/384265236.db2.gz SQSMCBFQAIKUET-GXSJLCMTSA-N 0 3 227.308 0.848 20 0 BCADHN OC[C@]1(O)CCCN(CCc2ccccn2)C1 ZINC000313642610 384267495 /nfs/dbraw/zinc/26/74/95/384267495.db2.gz QKTRAAHULKONAX-ZDUSSCGKSA-N 0 3 236.315 0.443 20 0 BCADHN CN(Cc1ccnn1C)C[C@@H]1CCOC1 ZINC000093840196 384271469 /nfs/dbraw/zinc/27/14/69/384271469.db2.gz QALJLKTXRFRWNY-JTQLQIEISA-N 0 3 209.293 0.888 20 0 BCADHN CNCCN(C)S(=O)(=O)c1ccoc1 ZINC000569577450 384271919 /nfs/dbraw/zinc/27/19/19/384271919.db2.gz QHMLUBSYCHCXRT-UHFFFAOYSA-N 0 3 218.278 0.120 20 0 BCADHN CC(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000560637003 384273118 /nfs/dbraw/zinc/27/31/18/384273118.db2.gz QXIPTOAZXVSPOX-QWRGUYRKSA-N 0 3 228.336 0.556 20 0 BCADHN COC(=O)[C@]1(C)CCN(Cc2cnc[nH]2)C1 ZINC000093813706 384273122 /nfs/dbraw/zinc/27/31/22/384273122.db2.gz MOSKFQHPUOZJEF-LLVKDONJSA-N 0 3 223.276 0.795 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000119479371 384278199 /nfs/dbraw/zinc/27/81/99/384278199.db2.gz GJBUMGJCFRPIQS-PSASIEDQSA-N 0 3 240.328 0.995 20 0 BCADHN O=C([C@H]1CCN([C@@H]2CCOC2)C1)N1CCCC1 ZINC000336632926 384275959 /nfs/dbraw/zinc/27/59/59/384275959.db2.gz JFEYOBBDOABFCC-NWDGAFQWSA-N 0 3 238.331 0.720 20 0 BCADHN CN(CCn1cccn1)C(=O)[C@@H](N)C(C)(C)C ZINC000119176239 384242254 /nfs/dbraw/zinc/24/22/54/384242254.db2.gz QASLYZGHIBUVMV-SNVBAGLBSA-N 0 3 238.335 0.715 20 0 BCADHN Cc1nc(N)nc(NCCN(C)C2CC2)n1 ZINC000304433109 384304599 /nfs/dbraw/zinc/30/45/99/384304599.db2.gz GRRDZDRDQWPLKE-UHFFFAOYSA-N 0 3 222.296 0.268 20 0 BCADHN CC[C@@](C)(O)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000083463203 384305370 /nfs/dbraw/zinc/30/53/70/384305370.db2.gz LGEKSTFROOOAPC-NXEZZACHSA-N 0 3 235.349 0.314 20 0 BCADHN Cc1ccc(O)c(NC(=O)[C@H]2C[C@@H](O)CN2)c1 ZINC000094574242 384306604 /nfs/dbraw/zinc/30/66/04/384306604.db2.gz LDKTUUOXDKZLQE-PSASIEDQSA-N 0 3 236.271 0.362 20 0 BCADHN CC(C)(C)NC(=O)CN[C@@H](CO)C(C)(C)C ZINC000332527199 384322293 /nfs/dbraw/zinc/32/22/93/384322293.db2.gz VUOXZFWBGWPFDJ-VIFPVBQESA-N 0 3 230.352 0.898 20 0 BCADHN C[C@@H](NCCOCCO)c1cncc(F)c1 ZINC000159165250 384307809 /nfs/dbraw/zinc/30/78/09/384307809.db2.gz ULYMBZCFDJGQOW-SECBINFHSA-N 0 3 228.267 0.880 20 0 BCADHN CCN(C)CCNC(=O)c1n[nH]c2c1CCC2 ZINC000119983482 384322456 /nfs/dbraw/zinc/32/24/56/384322456.db2.gz JMBLTZPGMAUUNN-UHFFFAOYSA-N 0 3 236.319 0.580 20 0 BCADHN C[C@@H](N[C@H]1CO[C@H](C)C1)C(=O)N(C)C ZINC000401946719 384315466 /nfs/dbraw/zinc/31/54/66/384315466.db2.gz RQQQJXVAJVKBCN-IWSPIJDZSA-N 0 3 200.282 0.230 20 0 BCADHN C[C@H](N[C@H]1CCCCNC1=O)[C@@H]1CCCO1 ZINC000223108954 384317999 /nfs/dbraw/zinc/31/79/99/384317999.db2.gz VFFKWNCOVKIRPJ-DCAQKATOSA-N 0 3 226.320 0.812 20 0 BCADHN Cn1ccc(C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000268638170 384319113 /nfs/dbraw/zinc/31/91/13/384319113.db2.gz QRJIEZPNHVYKHS-GFCCVEGCSA-N 0 3 233.315 0.945 20 0 BCADHN C[C@H]1CN(CCc2cnccn2)CC[C@H]1O ZINC000402943489 384283006 /nfs/dbraw/zinc/28/30/06/384283006.db2.gz ZONKHTCBTSQJQE-CMPLNLGQSA-N 0 3 221.304 0.722 20 0 BCADHN CN(C)CCNC(=O)NCCc1ccccn1 ZINC000133322253 384285680 /nfs/dbraw/zinc/28/56/80/384285680.db2.gz KDDISITYTZVXNC-UHFFFAOYSA-N 0 3 236.319 0.485 20 0 BCADHN CC[C@@H](C(=O)NCc1cnn(C)c1C)N(C)C ZINC000119618620 384289819 /nfs/dbraw/zinc/28/98/19/384289819.db2.gz QYUUTBWGCIACIS-NSHDSACASA-N 0 3 238.335 0.685 20 0 BCADHN CN(C)CCNC(=O)NCc1nccs1 ZINC000133475820 384291754 /nfs/dbraw/zinc/29/17/54/384291754.db2.gz YVKRBFJZZRVXFM-UHFFFAOYSA-N 0 3 228.321 0.504 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCc1ccc(=O)[nH]c1 ZINC000083364867 384293108 /nfs/dbraw/zinc/29/31/08/384293108.db2.gz CYIVVQKNOQDMHE-JTQLQIEISA-N 0 3 237.303 0.365 20 0 BCADHN CC[C@H](NC(=O)[C@H](C)N)c1ccncc1 ZINC000168702152 384294679 /nfs/dbraw/zinc/29/46/79/384294679.db2.gz IRPCIUGWABODAN-WPRPVWTQSA-N 0 3 207.277 0.996 20 0 BCADHN Cc1ccc(O[C@@H](C)CNC(=O)CN)cc1 ZINC000083351935 384297731 /nfs/dbraw/zinc/29/77/31/384297731.db2.gz PAQHBUFDHYWUBF-JTQLQIEISA-N 0 3 222.288 0.837 20 0 BCADHN CN1CCCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000335494402 384299795 /nfs/dbraw/zinc/29/97/95/384299795.db2.gz GAJMPEXXHBBXDP-LLVKDONJSA-N 0 3 225.336 0.278 20 0 BCADHN CO[C@@H](CN[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000332160240 384303839 /nfs/dbraw/zinc/30/38/39/384303839.db2.gz QWQLNVNYPZFRBB-QWRGUYRKSA-N 0 3 247.360 0.578 20 0 BCADHN Cc1cc(CN(C)C(=O)C2(N)CC2)no1 ZINC000083834405 384335975 /nfs/dbraw/zinc/33/59/75/384335975.db2.gz VUZAYNNLZOGSEM-UHFFFAOYSA-N 0 3 209.249 0.433 20 0 BCADHN C[C@@H](O)CCN(C)CCc1cnn(C)c1 ZINC000075781637 384339164 /nfs/dbraw/zinc/33/91/64/384339164.db2.gz BXOHZSMMFDPKQI-SNVBAGLBSA-N 0 3 211.309 0.665 20 0 BCADHN C[C@@H](CO)N(C)CCOC[C@H]1CCCO1 ZINC000558862026 384341629 /nfs/dbraw/zinc/34/16/29/384341629.db2.gz ZPZKAHXZJKRTGN-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN CN(Cc1cc(=O)n(C)c(=O)n1C)C1CCC1 ZINC000075841403 384341855 /nfs/dbraw/zinc/34/18/55/384341855.db2.gz HVVLVVOGSVTLLS-UHFFFAOYSA-N 0 3 237.303 0.068 20 0 BCADHN Cn1cc(NC(=O)[C@]2(C)CCCCN2)cn1 ZINC000159569996 384342098 /nfs/dbraw/zinc/34/20/98/384342098.db2.gz LMPJXIKUJKYOSI-NSHDSACASA-N 0 3 222.292 0.891 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CCC[C@@]1(C)CO ZINC000330364814 384373648 /nfs/dbraw/zinc/37/36/48/384373648.db2.gz XSUAHFDWCABPPI-PWSUYJOCSA-N 0 3 228.336 0.605 20 0 BCADHN CCC[C@H]1CN(CCCO)CCN1CCOC ZINC000305725903 384344021 /nfs/dbraw/zinc/34/40/21/384344021.db2.gz LLEUMXDGVNBCBU-ZDUSSCGKSA-N 0 3 244.379 0.802 20 0 BCADHN C[C@H]1C[C@H](NCC(=O)NC2CCCC2)CO1 ZINC000401989261 384373921 /nfs/dbraw/zinc/37/39/21/384373921.db2.gz CLOFAZKZPNCBCD-ONGXEEELSA-N 0 3 226.320 0.812 20 0 BCADHN Cc1cnn(CCN2C[C@H](C)C[C@H](O)C2)c1 ZINC000335586101 384352949 /nfs/dbraw/zinc/35/29/49/384352949.db2.gz KOGHTEWZIGQBGV-PWSUYJOCSA-N 0 3 223.320 0.894 20 0 BCADHN Cn1cc(C[C@H]2CCN([C@H]3CCNC3=O)C2)cn1 ZINC000361292333 384353801 /nfs/dbraw/zinc/35/38/01/384353801.db2.gz CKFFYOLHACDCJY-PWSUYJOCSA-N 0 3 248.330 0.173 20 0 BCADHN CC[C@H](COC)N[C@H](C)CS(=O)(=O)CC ZINC000089637129 384355484 /nfs/dbraw/zinc/35/54/84/384355484.db2.gz FETDMQAJCUUUKI-NXEZZACHSA-N 0 3 237.365 0.824 20 0 BCADHN COC(=O)CCCN1CCN(C)C[C@H]1C ZINC000300353624 384355717 /nfs/dbraw/zinc/35/57/17/384355717.db2.gz IOZSPSMVHRQIOS-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CC(C)[C@H](C(=O)NCc1ncc[nH]1)N(C)C ZINC000120479953 384355889 /nfs/dbraw/zinc/35/58/89/384355889.db2.gz BILUBROYDQESOW-SNVBAGLBSA-N 0 3 224.308 0.612 20 0 BCADHN CC[C@@H](C(=O)NCc1ncoc1C)N(C)C ZINC000134465089 384357170 /nfs/dbraw/zinc/35/71/70/384357170.db2.gz BWGTYVZNZOVYDS-JTQLQIEISA-N 0 3 225.292 0.939 20 0 BCADHN C[C@H](N)C(=O)N1CCC2(C1)CCOCC2 ZINC000095088848 384361136 /nfs/dbraw/zinc/36/11/36/384361136.db2.gz ICNQNJFPZSDDKK-VIFPVBQESA-N 0 3 212.293 0.363 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCc1c[nH]cn1 ZINC000084081088 384361196 /nfs/dbraw/zinc/36/11/96/384361196.db2.gz XEJQKOPEYARAFB-VIFPVBQESA-N 0 3 210.281 0.399 20 0 BCADHN COC(C)(C)CN(C)[C@@H]1CCCNC1=O ZINC000533479104 384362472 /nfs/dbraw/zinc/36/24/72/384362472.db2.gz MPWYYCCRLCXOGN-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN Cc1cnn(CCN2C[C@@H](O)C[C@@H]2C)c1 ZINC000335594490 384365302 /nfs/dbraw/zinc/36/53/02/384365302.db2.gz LEWSQGXXQBRNRK-QWRGUYRKSA-N 0 3 209.293 0.647 20 0 BCADHN CSC[C@H](O)CN(C)C1(C(N)=O)CCCC1 ZINC000188147519 384366373 /nfs/dbraw/zinc/36/63/73/384366373.db2.gz NELCHBNMINXUDM-SECBINFHSA-N 0 3 246.376 0.440 20 0 BCADHN C[C@@H]1OCC[C@@H]1NCC1(S(C)(=O)=O)CC1 ZINC000331528914 384369737 /nfs/dbraw/zinc/36/97/37/384369737.db2.gz SAXPPPLRJBLYAB-IUCAKERBSA-N 0 3 233.333 0.331 20 0 BCADHN C[C@H]1OCC[C@H]1NCC1(S(C)(=O)=O)CC1 ZINC000331528943 384369801 /nfs/dbraw/zinc/36/98/01/384369801.db2.gz SAXPPPLRJBLYAB-RKDXNWHRSA-N 0 3 233.333 0.331 20 0 BCADHN COc1nccc(CNCCC[C@@H](C)CO)n1 ZINC000295433346 384371357 /nfs/dbraw/zinc/37/13/57/384371357.db2.gz OVSCWOGFGLYAHK-SNVBAGLBSA-N 0 3 239.319 0.983 20 0 BCADHN CN(CC(N)=O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120039483 384326003 /nfs/dbraw/zinc/32/60/03/384326003.db2.gz ZIGFAPRTSOVUDM-QNSHHTMESA-N 0 3 212.293 0.217 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000129626308 384327194 /nfs/dbraw/zinc/32/71/94/384327194.db2.gz NLZJZFHVYYFNHM-LLVKDONJSA-N 0 3 245.286 0.943 20 0 BCADHN COC(=O)[C@H]1CCN(CCn2ccnc2C)C1 ZINC000095020702 384328019 /nfs/dbraw/zinc/32/80/19/384328019.db2.gz XNPVHRMXJHXPIK-NSHDSACASA-N 0 3 237.303 0.686 20 0 BCADHN COCCOCCN(C)CCNC(=O)C(C)C ZINC000179676208 384328164 /nfs/dbraw/zinc/32/81/64/384328164.db2.gz OXTXBLSEYHPJRV-UHFFFAOYSA-N 0 3 246.351 0.353 20 0 BCADHN C[C@H](CCn1cccn1)NCCS(C)(=O)=O ZINC000134631721 384373160 /nfs/dbraw/zinc/37/31/60/384373160.db2.gz OYOQNPYDWRYBIQ-SNVBAGLBSA-N 0 3 245.348 0.296 20 0 BCADHN CC(C)OC1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000643651904 384333234 /nfs/dbraw/zinc/33/32/34/384333234.db2.gz AGGLBJZZGFJHHA-MNOVXSKESA-N 0 3 226.320 0.750 20 0 BCADHN C[C@H](NCCN1CCOCC1)c1cnn(C)c1 ZINC000044494747 384334795 /nfs/dbraw/zinc/33/47/95/384334795.db2.gz GCBHCNUYOVQOTC-NSHDSACASA-N 0 3 238.335 0.403 20 0 BCADHN C[C@@]1(CNC(=O)[C@@H](N)C2CCC2)CCOC1 ZINC000331565255 384392806 /nfs/dbraw/zinc/39/28/06/384392806.db2.gz JNWXFWZNNKTDJH-JQWIXIFHSA-N 0 3 226.320 0.657 20 0 BCADHN CC[C@@H](CO)N1CCN(C[C@H]2CCCO2)CC1 ZINC000075959303 384394291 /nfs/dbraw/zinc/39/42/91/384394291.db2.gz VSABDCVPWHTXQD-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN CCN(C)CCNC(=O)CCc1ccnn1C ZINC000121110698 384396838 /nfs/dbraw/zinc/39/68/38/384396838.db2.gz BDGNKKNSSINBOE-UHFFFAOYSA-N 0 3 238.335 0.421 20 0 BCADHN C[C@H](CC(N)=O)NCCOc1ccccc1 ZINC000121123640 384397424 /nfs/dbraw/zinc/39/74/24/384397424.db2.gz DFERCECFIKKSDV-SNVBAGLBSA-N 0 3 222.288 0.919 20 0 BCADHN CCc1nn(C)cc1NC(=O)[C@@H]1NCC1(C)C ZINC000648174627 384399141 /nfs/dbraw/zinc/39/91/41/384399141.db2.gz ULEQRIOBLIBKCD-JTQLQIEISA-N 0 3 236.319 0.919 20 0 BCADHN C[C@H](NCCCc1ncn(C)n1)c1nccn1C ZINC000647327117 384408963 /nfs/dbraw/zinc/40/89/63/384408963.db2.gz TYMVQTJNGUOKSR-JTQLQIEISA-N 0 3 248.334 0.832 20 0 BCADHN CC[C@@H](CO)NCc1c(C)nn(C)c1OC ZINC000135054793 384409579 /nfs/dbraw/zinc/40/95/79/384409579.db2.gz NJXBVGRNDJIFHH-VIFPVBQESA-N 0 3 227.308 0.598 20 0 BCADHN COCCN(C)CCCNC(=O)NCCCF ZINC000121387235 384414415 /nfs/dbraw/zinc/41/44/15/384414415.db2.gz VXHXGRGYYKTTNK-UHFFFAOYSA-N 0 3 249.330 0.614 20 0 BCADHN CC(C)Cn1ccnc1NC(=O)[C@@H](C)N ZINC000261580319 384418362 /nfs/dbraw/zinc/41/83/62/384418362.db2.gz MYGHJJPKEOWEAI-MRVPVSSYSA-N 0 3 210.281 0.825 20 0 BCADHN CN1C(=O)CC[C@H](NCC2=CCCOC2)C1=O ZINC000333054723 384376096 /nfs/dbraw/zinc/37/60/96/384376096.db2.gz ADZVOPISCKZYGX-JTQLQIEISA-N 0 3 238.287 0.070 20 0 BCADHN CC(C)[C@@](C)(NCCn1cncn1)C(N)=O ZINC000330364366 384377036 /nfs/dbraw/zinc/37/70/36/384377036.db2.gz LLCYDGCVCIIEPI-SNVBAGLBSA-N 0 3 225.296 0.818 20 0 BCADHN O=C(CCNCc1ccncc1)N1CCOCC1 ZINC000159265881 384378376 /nfs/dbraw/zinc/37/83/76/384378376.db2.gz MOHNZKQCJYBIET-UHFFFAOYSA-N 0 3 249.314 0.420 20 0 BCADHN C[C@H](N[C@@H]1COC(C)(C)C1)C(=O)N(C)C ZINC000335610908 384384270 /nfs/dbraw/zinc/38/42/70/384384270.db2.gz LZHHFVQWEAJQIB-IUCAKERBSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@@H]1OCC[C@@]1(C)NCC(=O)N1CCC1 ZINC000335607819 384386516 /nfs/dbraw/zinc/38/65/16/384386516.db2.gz IYFQZJPCLZCAHI-GXSJLCMTSA-N 0 3 212.293 0.376 20 0 BCADHN O=S1(=O)CCCC[C@H]1CN[C@H]1CCOC1 ZINC000308961706 384387897 /nfs/dbraw/zinc/38/78/97/384387897.db2.gz ZONTWZKDWUYJPN-UWVGGRQHSA-N 0 3 233.333 0.332 20 0 BCADHN CCC[C@H](C(=O)NC[C@@H]1CC[C@@H](O)C1)N(C)C ZINC000248924351 384425641 /nfs/dbraw/zinc/42/56/41/384425641.db2.gz XOVRWYSWUQDNCK-IJLUTSLNSA-N 0 3 242.363 0.994 20 0 BCADHN Cn1cc(CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)cn1 ZINC000367404270 384389833 /nfs/dbraw/zinc/38/98/33/384389833.db2.gz GGUSVIBQUPNTKG-DGCLKSJQSA-N 0 3 248.330 0.567 20 0 BCADHN CC[C@@H](C)N(C)CCNS(=O)(=O)N(C)C ZINC000309009230 384390483 /nfs/dbraw/zinc/39/04/83/384390483.db2.gz WBHMHNQLHIQHET-SECBINFHSA-N 0 3 237.369 0.113 20 0 BCADHN N[C@H](C(=O)NC[C@@H]1CCCO1)C1CCC1 ZINC000331550611 384391000 /nfs/dbraw/zinc/39/10/00/384391000.db2.gz HUPXTVNQZCTKMQ-UWVGGRQHSA-N 0 3 212.293 0.409 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)C1CCC1)[C@H]1CCCO1 ZINC000331552672 384391176 /nfs/dbraw/zinc/39/11/76/384391176.db2.gz HZLWYKFQAHFHEB-GDPRMGEGSA-N 0 3 226.320 0.798 20 0 BCADHN C[C@H](CC(N)=O)NC[C@@H](c1ccco1)N(C)C ZINC000121012492 384391384 /nfs/dbraw/zinc/39/13/84/384391384.db2.gz AYGDODZMICAQGS-ZJUUUORDSA-N 0 3 239.319 0.736 20 0 BCADHN C[C@H](CC(N)=O)NC[C@H](c1ccco1)N(C)C ZINC000121012812 384391463 /nfs/dbraw/zinc/39/14/63/384391463.db2.gz AYGDODZMICAQGS-NXEZZACHSA-N 0 3 239.319 0.736 20 0 BCADHN CCO[C@@H](CC)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000556673521 384448942 /nfs/dbraw/zinc/44/89/42/384448942.db2.gz BKKGLUYTKBTBHM-TUAOUCFPSA-N 0 3 240.347 0.964 20 0 BCADHN CN1CC[C@H]2OCCN(c3cccnn3)[C@@H]2C1 ZINC000556678092 384450450 /nfs/dbraw/zinc/45/04/50/384450450.db2.gz UVUFXMWMFLXHMU-GHMZBOCLSA-N 0 3 234.303 0.386 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccn(C)c(=O)c2)[C@H]1C ZINC000262790814 384451551 /nfs/dbraw/zinc/45/15/51/384451551.db2.gz NCUINMAWYNIORV-ZJUUUORDSA-N 0 3 249.314 0.208 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN(C)[C@H]1CCOC1 ZINC000300264036 384451857 /nfs/dbraw/zinc/45/18/57/384451857.db2.gz ZDWUYLRZNYHBCI-SRVKXCTJSA-N 0 3 247.335 0.120 20 0 BCADHN CN(CCNC(=O)NCC1COC1)C1CC1 ZINC000623718398 384452711 /nfs/dbraw/zinc/45/27/11/384452711.db2.gz IIHNOGJPTDKFMX-UHFFFAOYSA-N 0 3 227.308 0.026 20 0 BCADHN CS(=O)(=O)NC[C@H](N)c1ccccc1 ZINC000036297552 384452628 /nfs/dbraw/zinc/45/26/28/384452628.db2.gz VPLBQELIYCJDIB-VIFPVBQESA-N 0 3 214.290 0.236 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCCCn1cccn1 ZINC000135254249 384428127 /nfs/dbraw/zinc/42/81/27/384428127.db2.gz MOZSCURZNWLRGW-SNVBAGLBSA-N 0 3 238.335 0.763 20 0 BCADHN C[C@H]1C[C@H]1N1CCN(C(N)=O)C[C@@H](C)C1 ZINC000427178581 384457096 /nfs/dbraw/zinc/45/70/96/384457096.db2.gz MLSLFMYDMSJUFN-LPEHRKFASA-N 0 3 211.309 0.727 20 0 BCADHN CCOCCNC(=O)C1(N)CCCCC1 ZINC000036230180 384437260 /nfs/dbraw/zinc/43/72/60/384437260.db2.gz LYSSSXUWOFZDKM-UHFFFAOYSA-N 0 3 214.309 0.801 20 0 BCADHN CCOCCN1CCN(C2CCOCC2)CC1 ZINC000175464924 384437641 /nfs/dbraw/zinc/43/76/41/384437641.db2.gz SAHFQUDYCLNZLN-UHFFFAOYSA-N 0 3 242.363 0.820 20 0 BCADHN CCOCCNC(=O)[C@@H](N)CC(C)C ZINC000036230208 384438518 /nfs/dbraw/zinc/43/85/18/384438518.db2.gz KRXWIKSPLLZJAY-VIFPVBQESA-N 0 3 202.298 0.513 20 0 BCADHN CCCC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000304230412 384438616 /nfs/dbraw/zinc/43/86/16/384438616.db2.gz NEIPHDKQDAKAPX-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN CN(CC1(O)CCCCCC1)[C@H]1COC[C@H]1O ZINC000361377056 384440675 /nfs/dbraw/zinc/44/06/75/384440675.db2.gz HRQACEDIFJKSHS-NWDGAFQWSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@@H](NCC1(O)CCC1)[C@@H](O)C(F)(F)F ZINC000647514864 384443087 /nfs/dbraw/zinc/44/30/87/384443087.db2.gz GDXZWQDWMCIQAY-RNFRBKRXSA-N 0 3 227.226 0.803 20 0 BCADHN [NH3+]C[C@H]([N-]S(=O)(=O)c1cscn1)C1CC1 ZINC000647227350 384461242 /nfs/dbraw/zinc/46/12/42/384461242.db2.gz MEHKTTBFDIRCGL-ZETCQYMHSA-N 0 3 247.345 0.159 20 0 BCADHN CC[C@@H](N)C(=O)NCCCOCC1CC1 ZINC000036871700 384461650 /nfs/dbraw/zinc/46/16/50/384461650.db2.gz RLTKEYBQMCEAGD-SNVBAGLBSA-N 0 3 214.309 0.657 20 0 BCADHN C[C@H](CC(N)=O)NC[C@H](O)c1cccc(F)c1 ZINC000135722545 384462314 /nfs/dbraw/zinc/46/23/14/384462314.db2.gz VLODWAFWPOCTFZ-KCJUWKMLSA-N 0 3 240.278 0.713 20 0 BCADHN CC[C@H](N)C(=O)N1CCOC[C@H]1CC ZINC000036871909 384463303 /nfs/dbraw/zinc/46/33/03/384463303.db2.gz LRANHCPQWUMYMR-BDAKNGLRSA-N 0 3 200.282 0.361 20 0 BCADHN O=c1[n-]c(=O)n(CC[C@H]2CC[NH2+]C2)cc1Cl ZINC000335660950 384465453 /nfs/dbraw/zinc/46/54/53/384465453.db2.gz LLZGDYAZTFZAIB-SSDOTTSWSA-N 0 3 243.694 0.602 20 0 BCADHN COc1ncncc1CN[C@@H]1CCCN(C)C1 ZINC000647174853 384468201 /nfs/dbraw/zinc/46/82/01/384468201.db2.gz PBKPOQRVNSGSSZ-LLVKDONJSA-N 0 3 236.319 0.669 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)n(C)n1 ZINC000262796389 384471739 /nfs/dbraw/zinc/47/17/39/384471739.db2.gz OJZDHEBAGMSKPT-ZJUUUORDSA-N 0 3 236.319 0.551 20 0 BCADHN CN1CC[C@H](C(=O)N2CCn3nccc32)C1 ZINC000556761281 384474478 /nfs/dbraw/zinc/47/44/78/384474478.db2.gz TVDDQQKTENIQRN-VIFPVBQESA-N 0 3 220.276 0.181 20 0 BCADHN C[C@H](NC[C@]1(O)CCSC1)c1cnn(C)c1 ZINC000122383445 384480086 /nfs/dbraw/zinc/48/00/86/384480086.db2.gz JBNOUFRINKOVHE-GXSJLCMTSA-N 0 3 241.360 0.939 20 0 BCADHN CC[C@H](N)C(=O)N(C)CCc1ccncc1 ZINC000048260381 384481504 /nfs/dbraw/zinc/48/15/04/384481504.db2.gz KZMKOMAUTSRRGR-NSHDSACASA-N 0 3 221.304 0.820 20 0 BCADHN C[C@@H]1CN(Cc2cccnc2)C[C@H](C)N1CCO ZINC000449544439 384481637 /nfs/dbraw/zinc/48/16/37/384481637.db2.gz QKFMBXHQNSBPSS-BETUJISGSA-N 0 3 249.358 0.969 20 0 BCADHN Cc1n[nH]cc1CNCCNC(=O)C1CC1 ZINC000136139066 384482553 /nfs/dbraw/zinc/48/25/53/384482553.db2.gz SAXFXHHUYSNCIG-UHFFFAOYSA-N 0 3 222.292 0.334 20 0 BCADHN Cn1cc(NC(=O)[C@]2(C)CCCCN2)ccc1=O ZINC000136167228 384483814 /nfs/dbraw/zinc/48/38/14/384483814.db2.gz FJFSOIOKWOGKTO-ZDUSSCGKSA-N 0 3 249.314 0.856 20 0 BCADHN C[C@@]1(C(=O)NCCn2ccnc2)CCCCN1 ZINC000136194903 384484804 /nfs/dbraw/zinc/48/48/04/384484804.db2.gz LXAPRCQAVXHOPK-LBPRGKRZSA-N 0 3 236.319 0.532 20 0 BCADHN O=C1CCN(C[C@@H](O)c2ccccc2)CCN1 ZINC000122618004 384496754 /nfs/dbraw/zinc/49/67/54/384496754.db2.gz HVTUDFWIDALDMO-GFCCVEGCSA-N 0 3 234.299 0.542 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C)CCN1C ZINC000357410988 384497123 /nfs/dbraw/zinc/49/71/23/384497123.db2.gz JOVSNKZHUWBVRA-UTUOFQBUSA-N 0 3 239.363 0.680 20 0 BCADHN O=C(C[C@@H]1CSCCN1)N[C@@H]1CC12CC2 ZINC000335030768 384501222 /nfs/dbraw/zinc/50/12/22/384501222.db2.gz RFNDRNBMXGIJCQ-RKDXNWHRSA-N 0 3 226.345 0.750 20 0 BCADHN COC(=O)CCN1CC[C@H](C)[C@H](O)C1 ZINC000299891231 384502636 /nfs/dbraw/zinc/50/26/36/384502636.db2.gz KKZBIFMBESVOIJ-DTWKUNHWSA-N 0 3 201.266 0.252 20 0 BCADHN CCC[C@@](C)(N)C(=O)Nc1cnn(C)c1 ZINC000037481440 384503476 /nfs/dbraw/zinc/50/34/76/384503476.db2.gz STSFYVIXHPFAAJ-SNVBAGLBSA-N 0 3 210.281 0.876 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H](C)COC ZINC000037481208 384503742 /nfs/dbraw/zinc/50/37/42/384503742.db2.gz ZCGNIKDQEJWYNN-WCBMZHEXSA-N 0 3 202.298 0.655 20 0 BCADHN O=C1NCCCC[C@@H]1N1CCCC[C@@H](CO)C1 ZINC000363479344 384504349 /nfs/dbraw/zinc/50/43/49/384504349.db2.gz REWQUMXGSVOKGJ-NEPJUHHUSA-N 0 3 240.347 0.750 20 0 BCADHN CC(C)(O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000372314265 384505934 /nfs/dbraw/zinc/50/59/34/384505934.db2.gz AUDUAFZAMUCZRJ-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@@H](F)CN1C[C@@H](CO)[C@H](CO)C1 ZINC000528600139 384493750 /nfs/dbraw/zinc/49/37/50/384493750.db2.gz YBROOIDEYDFJFI-LPEHRKFASA-N 0 3 205.273 0.267 20 0 BCADHN CO[C@@H](CNC(=O)[C@H](N)CCSC)C(C)C ZINC000353243886 384513356 /nfs/dbraw/zinc/51/33/56/384513356.db2.gz MVQVLWOXMSIVDJ-ZJUUUORDSA-N 0 3 248.392 0.854 20 0 BCADHN CCN(C)CCNC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000249819343 384521624 /nfs/dbraw/zinc/52/16/24/384521624.db2.gz MQAREYBZAHXQAV-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN CC(=O)Nc1ccc(NC(=O)[C@@H](C)N)cc1 ZINC000019433901 384523389 /nfs/dbraw/zinc/52/33/89/384523389.db2.gz WGGWZCCSZBZCJP-SSDOTTSWSA-N 0 3 221.260 0.931 20 0 BCADHN C[C@@H](CN[C@H]1CCn2ccnc21)N(C)C ZINC000294096173 384523804 /nfs/dbraw/zinc/52/38/04/384523804.db2.gz MJTIBMMIFWVYFD-UWVGGRQHSA-N 0 3 208.309 0.868 20 0 BCADHN C[C@@H](O)CN[C@H]1CCCc2c1cnn2CCO ZINC000647519694 384525262 /nfs/dbraw/zinc/52/52/62/384525262.db2.gz UINVAGCNAYESNF-KOLCDFICSA-N 0 3 239.319 0.223 20 0 BCADHN CC(C(=O)NCC(C)(C)C)S(C)(=O)=O ZINC000408056930 384525179 /nfs/dbraw/zinc/52/51/79/384525179.db2.gz NPRJJWWTMWIUTG-SSDOTTSWSA-N 0 3 221.322 0.582 20 0 BCADHN CCN(CC)CC(=O)NC[C@]1(O)CCC[C@@H]1C ZINC000359838905 384536578 /nfs/dbraw/zinc/53/65/78/384536578.db2.gz WSSRSKUCFNPGDC-WCQYABFASA-N 0 3 242.363 0.996 20 0 BCADHN CCC[C@@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000085541767 384530959 /nfs/dbraw/zinc/53/09/59/384530959.db2.gz GEIGNPDXDAXQTI-KXUCPTDWSA-N 0 3 212.293 0.504 20 0 BCADHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)N1CCC1 ZINC000372810961 384532236 /nfs/dbraw/zinc/53/22/36/384532236.db2.gz YYNNGYKAPGSBDQ-ZYHUDNBSSA-N 0 3 224.304 0.376 20 0 BCADHN CC(C)[C@](C)(CO)NCC(=O)N(C)C1CC1 ZINC000309706651 384542477 /nfs/dbraw/zinc/54/24/77/384542477.db2.gz VOOKFZSTEAJBMN-LBPRGKRZSA-N 0 3 228.336 0.604 20 0 BCADHN CN(CCCO)CCO[C@H]1CCCCO1 ZINC000300768205 384544393 /nfs/dbraw/zinc/54/43/93/384544393.db2.gz CENRXSBFADKQCM-NSHDSACASA-N 0 3 217.309 0.844 20 0 BCADHN CCC(C)(C)NC(=O)C[C@H]1CNCCO1 ZINC000085618643 384545512 /nfs/dbraw/zinc/54/55/12/384545512.db2.gz USDKFPFBIFISDM-VIFPVBQESA-N 0 3 214.309 0.670 20 0 BCADHN CCN(CCO)CCNC(=O)c1ncoc1C ZINC000183979984 384546052 /nfs/dbraw/zinc/54/60/52/384546052.db2.gz SWGOVFHGQSGNGW-UHFFFAOYSA-N 0 3 241.291 0.027 20 0 BCADHN CC[C@@H](C)CNC(=O)C[C@H]1CNCCO1 ZINC000085620082 384546773 /nfs/dbraw/zinc/54/67/73/384546773.db2.gz ZRIWUJPVRZSHNW-ZJUUUORDSA-N 0 3 214.309 0.527 20 0 BCADHN CCN(CCO)CCNC(=O)c1occc1C ZINC000183972383 384547243 /nfs/dbraw/zinc/54/72/43/384547243.db2.gz FJLJVELCAQTCDO-UHFFFAOYSA-N 0 3 240.303 0.632 20 0 BCADHN CCN(CC)C(=O)C[C@H]1CNCCO1 ZINC000085618658 384547665 /nfs/dbraw/zinc/54/76/65/384547665.db2.gz HSXNTQHPDKOEOK-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CCN(C(=O)C[C@H]1CNCCO1)C(C)C ZINC000085619072 384547817 /nfs/dbraw/zinc/54/78/17/384547817.db2.gz XMLLSJLMJSIGJM-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H](N)C(=O)NCC[C@H](O)c1ccccc1 ZINC000161944789 384549179 /nfs/dbraw/zinc/54/91/79/384549179.db2.gz KKFUEVOLFGRZFQ-ONGXEEELSA-N 0 3 222.288 0.574 20 0 BCADHN C[C@@H](CSc1ncnn1C)N(C)C ZINC000308269704 384551215 /nfs/dbraw/zinc/55/12/15/384551215.db2.gz RLGJHTVRXDIJLS-ZETCQYMHSA-N 0 3 200.311 0.857 20 0 BCADHN COC(=O)c1cccc(CN(C)CCO)c1 ZINC000049633873 384553224 /nfs/dbraw/zinc/55/32/24/384553224.db2.gz VNZISCGHQXXDBD-UHFFFAOYSA-N 0 3 223.272 0.897 20 0 BCADHN CC(C)n1nccc1CNCCc1ncn(C)n1 ZINC000354497493 384555890 /nfs/dbraw/zinc/55/58/90/384555890.db2.gz IRMFIYRHRJMRRQ-UHFFFAOYSA-N 0 3 248.334 0.925 20 0 BCADHN CCN(CCNC(=O)[C@@H](C)OC)C1CC1 ZINC000171140224 384557608 /nfs/dbraw/zinc/55/76/08/384557608.db2.gz UWOHEIPXFMHJKX-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN CO[C@@H](C)C(=O)N1CCCC[C@H]1CN(C)C ZINC000066946444 384557717 /nfs/dbraw/zinc/55/77/17/384557717.db2.gz HDNMKQTTYGMWGK-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN COCCOCCn1cc([C@@H](N)C(C)C)nn1 ZINC000305976708 384559227 /nfs/dbraw/zinc/55/92/27/384559227.db2.gz ZYQIRRQZMZUWAS-NSHDSACASA-N 0 3 242.323 0.597 20 0 BCADHN COc1c(CN[C@H](C)[C@@H](C)CO)c(C)nn1C ZINC000123170419 384541002 /nfs/dbraw/zinc/54/10/02/384541002.db2.gz FVUVZCKBIVEKIS-DTWKUNHWSA-N 0 3 241.335 0.844 20 0 BCADHN COCC[C@H](C)N[C@H]1CCS(=O)(=O)[C@@H]1C ZINC000353852944 384541287 /nfs/dbraw/zinc/54/12/87/384541287.db2.gz DVIPKSYWTPKMKW-AEJSXWLSSA-N 0 3 235.349 0.577 20 0 BCADHN CC(C)C[C@H](CCO)CNC(=O)C(C)(C)N ZINC000236749254 384569852 /nfs/dbraw/zinc/56/98/52/384569852.db2.gz NXNRFJORJTUVDK-JTQLQIEISA-N 0 3 230.352 0.885 20 0 BCADHN CC(C)OC[C@H](O)CN[C@@H]1C=C[C@H](CO)C1 ZINC000647525946 384574585 /nfs/dbraw/zinc/57/45/85/384574585.db2.gz FMVXQPLFOWGPIJ-QJPTWQEYSA-N 0 3 229.320 0.299 20 0 BCADHN CC[C@@H](NC(=O)[C@H](CN)OC)C(C)(C)C ZINC000309757293 384578173 /nfs/dbraw/zinc/57/81/73/384578173.db2.gz HUPKICDOHQSDRP-DTWKUNHWSA-N 0 3 216.325 0.901 20 0 BCADHN C[C@@H](NC[C@H](C)N(C)C)c1ccc(=O)[nH]n1 ZINC000309779246 384602773 /nfs/dbraw/zinc/60/27/73/384602773.db2.gz QQMFPNSOCNUJFQ-DTWKUNHWSA-N 0 3 224.308 0.371 20 0 BCADHN C[C@@H](O)CN[C@H](CO)CC(F)(F)F ZINC000647528958 384603311 /nfs/dbraw/zinc/60/33/11/384603311.db2.gz QDPPTSZPKAAUJC-RITPCOANSA-N 0 3 201.188 0.270 20 0 BCADHN CC[C@H](CN[C@@H](C)CS(C)(=O)=O)OC ZINC000336650270 384603771 /nfs/dbraw/zinc/60/37/71/384603771.db2.gz ANQBQKCQBFJJDS-DTWKUNHWSA-N 0 3 223.338 0.434 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N(C)CC1CCC1 ZINC000111298552 384605755 /nfs/dbraw/zinc/60/57/55/384605755.db2.gz DZBOUGJDXUMGCL-SSDOTTSWSA-N 0 3 213.281 0.302 20 0 BCADHN COc1ncncc1CNC[C@H](C)C[C@@H](C)O ZINC000647185569 384616149 /nfs/dbraw/zinc/61/61/49/384616149.db2.gz HVYRTODBSXEZIB-NXEZZACHSA-N 0 3 239.319 0.982 20 0 BCADHN CC(C(=O)N1[C@H](C)COC[C@H]1C)S(C)(=O)=O ZINC000246942241 384616113 /nfs/dbraw/zinc/61/61/13/384616113.db2.gz JPXODXHGRBTKOC-HLTSFMKQSA-N 0 3 249.332 0.055 20 0 BCADHN Cn1cnc(CCCNCc2nccs2)n1 ZINC000647230799 384616480 /nfs/dbraw/zinc/61/64/80/384616480.db2.gz OVCGZRTUVNTVSK-UHFFFAOYSA-N 0 3 237.332 0.994 20 0 BCADHN C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccccc1[O-] ZINC000117223458 384619321 /nfs/dbraw/zinc/61/93/21/384619321.db2.gz URLNFRSVAYJUBI-SFYZADRCSA-N 0 3 208.261 0.858 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCc1ccc(=O)[nH]c1 ZINC000262666671 384633656 /nfs/dbraw/zinc/63/36/56/384633656.db2.gz KIBMBYVBIYECJD-SNVBAGLBSA-N 0 3 237.303 0.777 20 0 BCADHN COCCN(C)CCNC(=O)C(C)(C)OC ZINC000171666529 384624701 /nfs/dbraw/zinc/62/47/01/384624701.db2.gz RUYRAEPHCOGBTI-UHFFFAOYSA-N 0 3 232.324 0.106 20 0 BCADHN CCN(C)CCNC(=O)C(C)(C)OC ZINC000171669230 384628510 /nfs/dbraw/zinc/62/85/10/384628510.db2.gz HVVCRSUISPYYSD-UHFFFAOYSA-N 0 3 202.298 0.479 20 0 BCADHN COC[C@@H](C)NCC1(CS(C)(=O)=O)CC1 ZINC000090182877 384628950 /nfs/dbraw/zinc/62/89/50/384628950.db2.gz JAAOBPYPJMDKMN-SECBINFHSA-N 0 3 235.349 0.436 20 0 BCADHN CC[C@@H](CCO)CNC(=O)CN1CC[C@@H](C)C1 ZINC000561291328 384629821 /nfs/dbraw/zinc/62/98/21/384629821.db2.gz MRXCDECQERTNLV-NEPJUHHUSA-N 0 3 242.363 0.853 20 0 BCADHN C[C@@H](NC(=O)C(C)(C)N)c1ccccn1 ZINC000040920701 384631730 /nfs/dbraw/zinc/63/17/30/384631730.db2.gz CXVGJBNEJREFOV-MRVPVSSYSA-N 0 3 207.277 0.996 20 0 BCADHN CN(C(=O)CN1CCC[C@H](O)CC1)C1CC1 ZINC000334885294 384593740 /nfs/dbraw/zinc/59/37/40/384593740.db2.gz WMNRCJOSTXGPPQ-NSHDSACASA-N 0 3 226.320 0.454 20 0 BCADHN COC[C@@H](O)CN(C)CCc1ccccn1 ZINC000050120575 384593974 /nfs/dbraw/zinc/59/39/74/384593974.db2.gz IUIWMWCXYOECLE-LBPRGKRZSA-N 0 3 224.304 0.563 20 0 BCADHN COc1ncncc1CN[C@H]1CCCC[C@@H]1O ZINC000647183068 384596581 /nfs/dbraw/zinc/59/65/81/384596581.db2.gz HAPFINNQQRWMIJ-QWRGUYRKSA-N 0 3 237.303 0.878 20 0 BCADHN CC[C@H](NC[C@@H](O)CN(C)C)c1cnn(C)c1 ZINC000154247963 384596583 /nfs/dbraw/zinc/59/65/83/384596583.db2.gz SATAKMOHDQYRBV-NEPJUHHUSA-N 0 3 240.351 0.383 20 0 BCADHN CC[C@H]1CN(C[C@@H]2CN(C)C(=O)O2)CCCO1 ZINC000497174484 384666026 /nfs/dbraw/zinc/66/60/26/384666026.db2.gz BDIOHZZBQCNMNN-QWRGUYRKSA-N 0 3 242.319 0.938 20 0 BCADHN CCN(C)CCNC(=O)NCc1cc(C)no1 ZINC000141373403 384669909 /nfs/dbraw/zinc/66/99/09/384669909.db2.gz VTUICDWDTPMMKH-UHFFFAOYSA-N 0 3 240.307 0.734 20 0 BCADHN Cc1c[nH]nc1CNCCN1CCSCC1 ZINC000289534673 384670079 /nfs/dbraw/zinc/67/00/79/384670079.db2.gz OTGOLFXCGBEGSK-UHFFFAOYSA-N 0 3 240.376 0.857 20 0 BCADHN CN(Cc1cnn(C)c1)C[C@H]1CCOC1 ZINC000047698906 384671307 /nfs/dbraw/zinc/67/13/07/384671307.db2.gz DSCQULCIDSYJTI-SNVBAGLBSA-N 0 3 209.293 0.888 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CC(=O)N(C3CC3)C2)CO1 ZINC000647189475 384672475 /nfs/dbraw/zinc/67/24/75/384672475.db2.gz XNXPIHJJPIBHMO-BBBLOLIVSA-N 0 3 224.304 0.517 20 0 BCADHN CC[C@@H](C(=O)NCCCn1cccn1)N(C)C ZINC000124741048 384674405 /nfs/dbraw/zinc/67/44/05/384674405.db2.gz XXPWVDIUATXCDZ-NSHDSACASA-N 0 3 238.335 0.730 20 0 BCADHN COC(C)(C)[C@H](C)NCC(=O)NC(C)C ZINC000300892013 384637282 /nfs/dbraw/zinc/63/72/82/384637282.db2.gz BKZSBFBGINKGAP-VIFPVBQESA-N 0 3 216.325 0.914 20 0 BCADHN Cc1nnsc1CNCC[C@H](C)O ZINC000308329645 384638585 /nfs/dbraw/zinc/63/85/85/384638585.db2.gz JPLGFPBWSFGVJI-LURJTMIESA-N 0 3 201.295 0.707 20 0 BCADHN OC[C@H]1C[C@@H](O)CN1[C@H]1Cc2ccccc2[C@@H]1O ZINC000184741307 384643698 /nfs/dbraw/zinc/64/36/98/384643698.db2.gz CWOKORWXDUSLDN-RFHZTLPTSA-N 0 3 249.310 0.072 20 0 BCADHN COc1cc(C(=O)N2CC[C@@H](N(C)C)C2)on1 ZINC000124527492 384648047 /nfs/dbraw/zinc/64/80/47/384648047.db2.gz AFQXEVUWEAPWAB-MRVPVSSYSA-N 0 3 239.275 0.459 20 0 BCADHN CN(C)CCN(C)c1cc(Cl)nc(N)n1 ZINC000086435946 384650240 /nfs/dbraw/zinc/65/02/40/384650240.db2.gz SXOHFTKXGJBHLI-UHFFFAOYSA-N 0 3 229.715 0.710 20 0 BCADHN C[C@@H](CNC[C@H]1CCC[C@@H]1O)S(C)(=O)=O ZINC000647536945 384655756 /nfs/dbraw/zinc/65/57/56/384655756.db2.gz KCFITIUSEHWHBD-AEJSXWLSSA-N 0 3 235.349 0.170 20 0 BCADHN CN1CCC(NC(=O)c2csnn2)CC1 ZINC000082269573 384655928 /nfs/dbraw/zinc/65/59/28/384655928.db2.gz FZBMPTJTLDYKEZ-UHFFFAOYSA-N 0 3 226.305 0.362 20 0 BCADHN CC[C@@H](NCC(=O)NC(N)=O)c1ccccc1 ZINC000051628086 384675777 /nfs/dbraw/zinc/67/57/77/384675777.db2.gz AFQITPIMKFHUNW-SNVBAGLBSA-N 0 3 235.287 0.922 20 0 BCADHN CNCC(=O)N[C@@H](C)C[C@H]1CCCO1 ZINC000154647964 384657514 /nfs/dbraw/zinc/65/75/14/384657514.db2.gz UKUOWPYUPMJIDD-DTWKUNHWSA-N 0 3 200.282 0.280 20 0 BCADHN Cc1ncc(C(=O)NC2CCN(C)CC2)[nH]1 ZINC000082268171 384657735 /nfs/dbraw/zinc/65/77/35/384657735.db2.gz IBPMXKCPXWPBEI-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000154722896 384658886 /nfs/dbraw/zinc/65/88/86/384658886.db2.gz MRLTWQGRWQZUFB-GHMZBOCLSA-N 0 3 230.352 0.850 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000154722795 384661511 /nfs/dbraw/zinc/66/15/11/384661511.db2.gz MRLTWQGRWQZUFB-WDEREUQCSA-N 0 3 230.352 0.850 20 0 BCADHN C[C@@H](N)C(=O)NCCCCn1ccnc1 ZINC000045109180 384662557 /nfs/dbraw/zinc/66/25/57/384662557.db2.gz BHAREXFYCHETNK-SECBINFHSA-N 0 3 210.281 0.127 20 0 BCADHN Nc1ncc(CN2CCC[C@@H](CO)C2)s1 ZINC000086765561 384681560 /nfs/dbraw/zinc/68/15/60/384681560.db2.gz BNURDEUUVHZWNC-MRVPVSSYSA-N 0 3 227.333 0.930 20 0 BCADHN CCN1CCC(N(C)C(=O)CNC(C)=O)CC1 ZINC000408041358 384683844 /nfs/dbraw/zinc/68/38/44/384683844.db2.gz LUMPABXATPXRPK-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CCN(C)CCNC(=O)c1c(C)nn(C)c1C ZINC000101694140 384685420 /nfs/dbraw/zinc/68/54/20/384685420.db2.gz NXXYSJYKFCVCFT-UHFFFAOYSA-N 0 3 238.335 0.718 20 0 BCADHN CN(CC(=O)NC(C)(C)C)C[C@@H]1CCOC1 ZINC000047707181 384693201 /nfs/dbraw/zinc/69/32/01/384693201.db2.gz WTYSTJRYVWLTPT-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)N1CC[C@@H](N2C[C@H]3[C@H](CO)[C@H]3C2)C1=O ZINC000368335423 384694737 /nfs/dbraw/zinc/69/47/37/384694737.db2.gz IEBBUZRWKOBMIT-NOOOWODRSA-N 0 3 238.331 0.166 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCC(=O)N(C)C1)N(C)C ZINC000125284726 384706281 /nfs/dbraw/zinc/70/62/81/384706281.db2.gz HDQBDHPFOLRLMM-NXEZZACHSA-N 0 3 241.335 0.064 20 0 BCADHN Cn1nccc1CN[C@H]1CCCC[C@@H]1O ZINC000051997656 384707328 /nfs/dbraw/zinc/70/73/28/384707328.db2.gz FPPOOWINGYKGPL-QWRGUYRKSA-N 0 3 209.293 0.813 20 0 BCADHN c1[nH]nc2cc(CNC[C@@H]3CNCCO3)ccc12 ZINC000556963808 384707512 /nfs/dbraw/zinc/70/75/12/384707512.db2.gz JIQCOVLVHWLBCU-LBPRGKRZSA-N 0 3 246.314 0.641 20 0 BCADHN CO[C@H](C)CN1CC[C@H](OC(=O)N(C)C)C1 ZINC000496429306 533084810 /nfs/dbraw/zinc/08/48/10/533084810.db2.gz IOMIAHZBLGXMMY-ZJUUUORDSA-N 0 3 230.308 0.794 20 0 BCADHN CCS(=O)(=O)CCCN[C@@H]1CO[C@@H](C)C1 ZINC000402366288 384727763 /nfs/dbraw/zinc/72/77/63/384727763.db2.gz WZRSYVDXVBRXMZ-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN CCOC[C@@H](C)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000309918456 384716765 /nfs/dbraw/zinc/71/67/65/384716765.db2.gz QRTFNGIHFPZHGO-ZJUUUORDSA-N 0 3 249.376 0.967 20 0 BCADHN CNCC(=O)N(C)c1ccc(OC)cc1OC ZINC000082607732 384774368 /nfs/dbraw/zinc/77/43/68/384774368.db2.gz PGQINXDBKWYSMH-UHFFFAOYSA-N 0 3 238.287 0.886 20 0 BCADHN Cc1cc(CC(=O)N2CCN[C@@H](C)[C@@H]2C)[nH]n1 ZINC000262739724 384775300 /nfs/dbraw/zinc/77/53/00/384775300.db2.gz DKGOECDIQZEMLJ-UWVGGRQHSA-N 0 3 236.319 0.469 20 0 BCADHN C[N@@H+]1CCC[C@H](CN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000518139996 384729747 /nfs/dbraw/zinc/72/97/47/384729747.db2.gz LQIZQRXJVPLMQP-SECBINFHSA-N 0 3 246.318 0.480 20 0 BCADHN C[N@H+]1CCC[C@H](CN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000518139996 384729759 /nfs/dbraw/zinc/72/97/59/384729759.db2.gz LQIZQRXJVPLMQP-SECBINFHSA-N 0 3 246.318 0.480 20 0 BCADHN Cc1nn(C)cc1CN[C@@H](C)CCCO ZINC000126069449 384730488 /nfs/dbraw/zinc/73/04/88/384730488.db2.gz DBPSPPTZKNOVJD-VIFPVBQESA-N 0 3 211.309 0.979 20 0 BCADHN C[C@@H](C[S@@](C)=O)N(C)CCCCCO ZINC000126111746 384734053 /nfs/dbraw/zinc/73/40/53/384734053.db2.gz SQGIFNOAEJSMFD-HZMBPMFUSA-N 0 3 221.366 0.848 20 0 BCADHN O=S(=O)(N[C@H]1CCCNC1)c1ccsc1 ZINC000334975595 384735973 /nfs/dbraw/zinc/73/59/73/384735973.db2.gz ZMZQQEZCXFMSKC-QMMMGPOBSA-N 0 3 246.357 0.778 20 0 BCADHN CC[NH2+]CCNC(=O)c1ccc(OC)cc1[O-] ZINC000054263353 384740261 /nfs/dbraw/zinc/74/02/61/384740261.db2.gz CXIURFXAUSJGIC-UHFFFAOYSA-N 0 3 238.287 0.740 20 0 BCADHN Cc1ccc(CNC[C@@]2(O)CCOC2)o1 ZINC000126181666 384741106 /nfs/dbraw/zinc/74/11/06/384741106.db2.gz VTTCPQQJOFMBGN-NSHDSACASA-N 0 3 211.261 0.829 20 0 BCADHN NC1(C(=O)N[C@@H]2CCOC2)Cc2ccccc2C1 ZINC000648156858 384748257 /nfs/dbraw/zinc/74/82/57/384748257.db2.gz OUNOYIJINWJBEB-GFCCVEGCSA-N 0 3 246.310 0.388 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000309968327 384748765 /nfs/dbraw/zinc/74/87/65/384748765.db2.gz OIDRPJMMRSTTAQ-BBBLOLIVSA-N 0 3 249.376 0.965 20 0 BCADHN COC[C@H](C)CC(=O)NC[C@@](C)(O)CN(C)C ZINC000228757404 134430054 /nfs/dbraw/zinc/43/00/54/134430054.db2.gz JYIUGWVFWHNIME-ZYHUDNBSSA-N 0 3 246.351 0.088 20 0 BCADHN NC1(C(=O)N[C@H]2CCOC2)Cc2ccccc2C1 ZINC000648156859 384749686 /nfs/dbraw/zinc/74/96/86/384749686.db2.gz OUNOYIJINWJBEB-LBPRGKRZSA-N 0 3 246.310 0.388 20 0 BCADHN CC(C)Cn1nccc1CN[C@H](C)CC(N)=O ZINC000647193538 384755633 /nfs/dbraw/zinc/75/56/33/384755633.db2.gz FPGBRYOQXFMPNH-SNVBAGLBSA-N 0 3 238.335 0.893 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1cccc2c1OCCO2 ZINC000518166981 384757910 /nfs/dbraw/zinc/75/79/10/384757910.db2.gz DLFHZCKYCDSIRF-JGVFFNPUSA-N 0 3 234.255 0.744 20 0 BCADHN Cc1nn(C)cc1CNCCC(=O)N(C)C ZINC000126012633 384762779 /nfs/dbraw/zinc/76/27/79/384762779.db2.gz ZVDSBTWFXNTGOX-UHFFFAOYSA-N 0 3 224.308 0.296 20 0 BCADHN COC(=O)CCCNC(=O)[C@@H](N)CC(F)F ZINC000336666602 384767243 /nfs/dbraw/zinc/76/72/43/384767243.db2.gz PVUUOJRFYFHCHE-LURJTMIESA-N 0 3 238.234 0.038 20 0 BCADHN CCC[C@H](N)C(=O)Nc1nc(C)ns1 ZINC000163207067 384768776 /nfs/dbraw/zinc/76/87/76/384768776.db2.gz HWROXBAMLBYMRZ-LURJTMIESA-N 0 3 214.294 0.912 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000262704148 384769572 /nfs/dbraw/zinc/76/95/72/384769572.db2.gz BGJPLKDVSSPJOG-VXNVDRBHSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262704144 384770506 /nfs/dbraw/zinc/77/05/06/384770506.db2.gz BGJPLKDVSSPJOG-CBAPKCEASA-N 0 3 222.292 0.541 20 0 BCADHN O=C(CN1CCC[C@H](c2nc[nH]n2)C1)NC1CC1 ZINC000363641677 384771334 /nfs/dbraw/zinc/77/13/34/384771334.db2.gz QKHQRFPXZMVYTN-VIFPVBQESA-N 0 3 249.318 0.263 20 0 BCADHN CCN(C[C@@H]1CCCO1)C(=O)[C@@H](C)N ZINC000042470681 384815858 /nfs/dbraw/zinc/81/58/58/384815858.db2.gz WRECQCAWDDLHIL-BDAKNGLRSA-N 0 3 200.282 0.361 20 0 BCADHN C[C@@H](O)CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000105902530 384816518 /nfs/dbraw/zinc/81/65/18/384816518.db2.gz CGBUIGFUTHVGEO-GHMZBOCLSA-N 0 3 230.352 0.144 20 0 BCADHN CCOCCN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000105902992 384816748 /nfs/dbraw/zinc/81/67/48/384816748.db2.gz MSXQZGJQWBCLAA-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN CN(C)CCN(C)C(=O)NCc1cncn1C ZINC000360295493 384816831 /nfs/dbraw/zinc/81/68/31/384816831.db2.gz FJBDPAPSLQTTKP-UHFFFAOYSA-N 0 3 239.323 0.123 20 0 BCADHN COC[C@@H](C)NC[C@@H]1CCCCS1(=O)=O ZINC000336753974 384816990 /nfs/dbraw/zinc/81/69/90/384816990.db2.gz HEEGLKYGZUYECM-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000083928420 384819617 /nfs/dbraw/zinc/81/96/17/384819617.db2.gz MAWNXXRYVAQMOH-QMMMGPOBSA-N 0 3 249.270 0.929 20 0 BCADHN COCc1ccc(CNC(CO)CO)cc1 ZINC000083969581 384825256 /nfs/dbraw/zinc/82/52/56/384825256.db2.gz ZGHOQPPKNFXUBX-UHFFFAOYSA-N 0 3 225.288 0.276 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CC[C@@H](O)C(C)(C)C1 ZINC000304407096 384826784 /nfs/dbraw/zinc/82/67/84/384826784.db2.gz BRAGPVUPJWEPOW-SKDRFNHKSA-N 0 3 245.319 0.003 20 0 BCADHN CO[C@H]1C[C@@H](NC(=O)C2(N)CCC2)C1(C)C ZINC000234784479 384827439 /nfs/dbraw/zinc/82/74/39/384827439.db2.gz UBYRZLTURLQGIN-BDAKNGLRSA-N 0 3 226.320 0.798 20 0 BCADHN COC(=O)[C@](C)(O)CN1CC[C@@H](O)C(C)(C)C1 ZINC000304407089 384827650 /nfs/dbraw/zinc/82/76/50/384827650.db2.gz BRAGPVUPJWEPOW-BXKDBHETSA-N 0 3 245.319 0.003 20 0 BCADHN CC[C@H](CO)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000180907713 384828090 /nfs/dbraw/zinc/82/80/90/384828090.db2.gz KQXAFKBAJDSPET-NXEZZACHSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@@H]1OCCN(C[C@@H](O)CN(C)C2CC2)[C@H]1C ZINC000310088778 384828713 /nfs/dbraw/zinc/82/87/13/384828713.db2.gz IFYOXNPFRYIQDA-GVXVVHGQSA-N 0 3 242.363 0.551 20 0 BCADHN Cn1cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cn1 ZINC000087689799 384829008 /nfs/dbraw/zinc/82/90/08/384829008.db2.gz HVGJDQNONFYLAC-MXWKQRLJSA-N 0 3 207.277 0.830 20 0 BCADHN O[C@H](CN1C[C@H]2[C@@H](C1)C2(F)F)CC1(O)CCC1 ZINC000528534257 384829481 /nfs/dbraw/zinc/82/94/81/384829481.db2.gz PPBDUNFISXWFEZ-LPEHRKFASA-N 0 3 247.285 0.849 20 0 BCADHN COC[C@@H](O)CN1CCOCC12CCCC2 ZINC000362418756 384829709 /nfs/dbraw/zinc/82/97/09/384829709.db2.gz PSRXIUQLSIHKTE-NSHDSACASA-N 0 3 229.320 0.639 20 0 BCADHN C[C@](O)(CN[C@@H]1CCOC1)C(F)(F)F ZINC000308585067 384830684 /nfs/dbraw/zinc/83/06/84/384830684.db2.gz RJWAJOZUKWISAS-RQJHMYQMSA-N 0 3 213.199 0.678 20 0 BCADHN C[C@H](O)CN1CCC(Nc2cccnn2)CC1 ZINC000174740049 384832714 /nfs/dbraw/zinc/83/27/14/384832714.db2.gz VQEBUSUALCHWCC-JTQLQIEISA-N 0 3 236.319 0.734 20 0 BCADHN Cn1cncc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000087689817 384832698 /nfs/dbraw/zinc/83/26/98/384832698.db2.gz XPJLPYKWPAIVKK-MXWKQRLJSA-N 0 3 207.277 0.830 20 0 BCADHN Cc1n[nH]c(C)c1CN[C@H]1CCC(=O)N(C)C1 ZINC000084062410 384832862 /nfs/dbraw/zinc/83/28/62/384832862.db2.gz VPWSOMMBPFQDIT-JTQLQIEISA-N 0 3 236.319 0.737 20 0 BCADHN CN1CCC[C@@H](N2CCC[C@@H](CO)CC2)C1=O ZINC000557056171 384781568 /nfs/dbraw/zinc/78/15/68/384781568.db2.gz VAPWURNUTAAULA-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN CS[C@H](CO)[C@H](C)NCc1cnn(C)c1C ZINC000126253150 384782694 /nfs/dbraw/zinc/78/26/94/384782694.db2.gz ZECMELJIWCZWNE-GZMMTYOYSA-N 0 3 243.376 0.931 20 0 BCADHN COCC[C@H](C)NC(=O)CN(C)C(C)C ZINC000101520354 384783855 /nfs/dbraw/zinc/78/38/55/384783855.db2.gz YFCDUNBQKOIOQB-JTQLQIEISA-N 0 3 216.325 0.868 20 0 BCADHN COC[C@H](O)CN1CCC[C@@H]1c1cnn(C)c1 ZINC000126581466 384783971 /nfs/dbraw/zinc/78/39/71/384783971.db2.gz GRYDANUOICDJSR-VXGBXAGGSA-N 0 3 239.319 0.564 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000335041523 384784140 /nfs/dbraw/zinc/78/41/40/384784140.db2.gz PZVTXWPPAGPOJX-QWRGUYRKSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@]1(C(N)=O)CCCCN1CCCO ZINC000185924285 384785493 /nfs/dbraw/zinc/78/54/93/384785493.db2.gz ZPSKYCJPASYYCD-SNVBAGLBSA-N 0 3 200.282 0.099 20 0 BCADHN CC[C@H](O)CN(C)[C@@H](C)C[S@](C)=O ZINC000126635100 384788476 /nfs/dbraw/zinc/78/84/76/384788476.db2.gz MUEJSYQJQOFSCP-MWODSPESSA-N 0 3 207.339 0.456 20 0 BCADHN N[C@H](CC(F)F)C(=O)NCC1CCC1 ZINC000308522934 384788617 /nfs/dbraw/zinc/78/86/17/384788617.db2.gz ZAIQXJWMTQMVHP-SSDOTTSWSA-N 0 3 206.236 0.885 20 0 BCADHN CS(=O)(=O)[C@H]1CCC[C@@H](NCCF)C1 ZINC000308537983 384791520 /nfs/dbraw/zinc/79/15/20/384791520.db2.gz LWQXCAWZNDHHSS-BDAKNGLRSA-N 0 3 223.313 0.901 20 0 BCADHN CS(=O)(=O)[C@H]1CCC[C@H](NCCF)C1 ZINC000308537987 384791557 /nfs/dbraw/zinc/79/15/57/384791557.db2.gz LWQXCAWZNDHHSS-IUCAKERBSA-N 0 3 223.313 0.901 20 0 BCADHN CCCCOCC(=O)N1CCCNCC1 ZINC000042355150 384792124 /nfs/dbraw/zinc/79/21/24/384792124.db2.gz VKDLBPASEZVQTC-UHFFFAOYSA-N 0 3 214.309 0.625 20 0 BCADHN Cc1cc(C)cc(CNC(CO)CO)c1 ZINC000083692684 384792378 /nfs/dbraw/zinc/79/23/78/384792378.db2.gz BXYHBIMZITWVFB-UHFFFAOYSA-N 0 3 209.289 0.746 20 0 BCADHN Cn1ccc(CN[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000126339649 384792603 /nfs/dbraw/zinc/79/26/03/384792603.db2.gz HUIGMPODUNTTRF-NSHDSACASA-N 0 3 233.315 0.878 20 0 BCADHN Cc1ccc(CNC(CO)CO)cc1F ZINC000083689978 384793833 /nfs/dbraw/zinc/79/38/33/384793833.db2.gz WJERNSAQQWUGDK-UHFFFAOYSA-N 0 3 213.252 0.577 20 0 BCADHN CC1CCN(CCNC(=O)C2(N)CC2)CC1 ZINC000083835318 384800819 /nfs/dbraw/zinc/80/08/19/384800819.db2.gz CGMMETFXMFJEFN-UHFFFAOYSA-N 0 3 225.336 0.326 20 0 BCADHN CC[C@H](C[C@H](C)CO)NCc1cn(C)nn1 ZINC000310033647 384800922 /nfs/dbraw/zinc/80/09/22/384800922.db2.gz SBJXROQWOJSCCL-VHSXEESVSA-N 0 3 226.324 0.702 20 0 BCADHN COCC1(CCNC(=O)[C@@H]2NCC2(C)C)CC1 ZINC000648192078 384806498 /nfs/dbraw/zinc/80/64/98/384806498.db2.gz GFQUUNUMCPEHGK-JTQLQIEISA-N 0 3 240.347 0.917 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccccc1N(C)C ZINC000083884442 384806774 /nfs/dbraw/zinc/80/67/74/384806774.db2.gz CRTIWKBVCLZOPY-SECBINFHSA-N 0 3 221.304 0.716 20 0 BCADHN C[C@H](N)C(=O)N1CCN(C)c2ccccc2C1 ZINC000083884491 384807056 /nfs/dbraw/zinc/80/70/56/384807056.db2.gz IYRGJOVATTVUHJ-JTQLQIEISA-N 0 3 233.315 0.812 20 0 BCADHN COC[C@H](C)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000363505985 384807300 /nfs/dbraw/zinc/80/73/00/384807300.db2.gz DIRBXNCVFVFWHV-AVGNSLFASA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H](N)C(=O)NCC(=O)Nc1cccc(F)c1 ZINC000083884352 384807968 /nfs/dbraw/zinc/80/79/68/384807968.db2.gz FYSPRZVWROQGPE-SSDOTTSWSA-N 0 3 239.250 0.228 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)C[C@@H]1CCCO1 ZINC000042465794 384812903 /nfs/dbraw/zinc/81/29/03/384812903.db2.gz UQQOUNMRNNYFFB-VHSXEESVSA-N 0 3 214.309 0.607 20 0 BCADHN Cc1ccc2nc(CNC(=O)[C@@H](C)N)cn2c1 ZINC000083909201 384814251 /nfs/dbraw/zinc/81/42/51/384814251.db2.gz QLFGIBHREFXREO-SECBINFHSA-N 0 3 232.287 0.606 20 0 BCADHN Cc1ccn2cc(CNC(=O)[C@H](C)N)nc2c1 ZINC000083909189 384815256 /nfs/dbraw/zinc/81/52/56/384815256.db2.gz QELOCOXEIBVQLQ-VIFPVBQESA-N 0 3 232.287 0.606 20 0 BCADHN CSCCCNC(=O)C(N)C(F)(F)F ZINC000336673830 384870087 /nfs/dbraw/zinc/87/00/87/384870087.db2.gz AADNMYXFGBMWLX-YFKPBYRVSA-N 0 3 230.255 0.745 20 0 BCADHN O=C([C@@H]1CC1(F)F)N1CCN2CCC1CC2 ZINC000336254267 384871235 /nfs/dbraw/zinc/87/12/35/384871235.db2.gz RXLDBYDZXYMTRN-VIFPVBQESA-N 0 3 230.258 0.948 20 0 BCADHN CC(C)(C)NC(=O)CN1CC[C@@](C)(C(N)=O)C1 ZINC000361556466 384871415 /nfs/dbraw/zinc/87/14/15/384871415.db2.gz HPEMBKNRNCTACA-GFCCVEGCSA-N 0 3 241.335 0.098 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cn(C)cn1 ZINC000186738814 384871441 /nfs/dbraw/zinc/87/14/41/384871441.db2.gz GLORHWRCROEBTB-UHFFFAOYSA-N 0 3 236.319 0.586 20 0 BCADHN O=C([C@H]1CC1(F)F)N1CCN2CCC1CC2 ZINC000336254266 384873394 /nfs/dbraw/zinc/87/33/94/384873394.db2.gz RXLDBYDZXYMTRN-SECBINFHSA-N 0 3 230.258 0.948 20 0 BCADHN C[C@@H]1C[C@H](NC[C@@H]2CCCCS2(=O)=O)CO1 ZINC000647200449 384889606 /nfs/dbraw/zinc/88/96/06/384889606.db2.gz IGEVSDLVXCAGTF-VWYCJHECSA-N 0 3 247.360 0.721 20 0 BCADHN C[C@@H](CNCc1ccn(C)n1)N(C)C1CC1 ZINC000163904397 384873588 /nfs/dbraw/zinc/87/35/88/384873588.db2.gz RFBROLYTLBLNHH-JTQLQIEISA-N 0 3 222.336 0.992 20 0 BCADHN c1cn2c(cccc2CNC2COCCOC2)n1 ZINC000644422463 384875298 /nfs/dbraw/zinc/87/52/98/384875298.db2.gz FUFGZUXTMHCCJS-UHFFFAOYSA-N 0 3 247.298 0.839 20 0 BCADHN CN(CCn1cccn1)CC1(CO)CC1 ZINC000186762749 384877342 /nfs/dbraw/zinc/87/73/42/384877342.db2.gz GDQQBBXOVXPNJR-UHFFFAOYSA-N 0 3 209.293 0.587 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1[C@H](C)COC[C@H]1C ZINC000449289377 384879374 /nfs/dbraw/zinc/87/93/74/384879374.db2.gz AEAMVIKNITZXBR-BBBLOLIVSA-N 0 3 226.320 0.763 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NCC(F)(F)F ZINC000336674880 384882858 /nfs/dbraw/zinc/88/28/58/384882858.db2.gz BUDWKIJSILBVDN-VKHMYHEASA-N 0 3 220.141 0.647 20 0 BCADHN Cc1cnn(CCN[C@@H](C)C(=O)NC2CC2)c1 ZINC000105881327 384886987 /nfs/dbraw/zinc/88/69/87/384886987.db2.gz GMBZMPUNINUOGS-JTQLQIEISA-N 0 3 236.319 0.448 20 0 BCADHN CCO[N-]C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000364477709 384887128 /nfs/dbraw/zinc/88/71/28/384887128.db2.gz BCQLPCKGQVXASO-SECBINFHSA-N 0 3 200.282 0.834 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)[C@H]1CCCO1 ZINC000151859193 384845595 /nfs/dbraw/zinc/84/55/95/384845595.db2.gz ZMSIFBHSOIAMJX-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1CN(C(=O)[C@]2(F)CCNC2)[C@H](C)CO1 ZINC000151866122 384846984 /nfs/dbraw/zinc/84/69/84/384846984.db2.gz IAVIBJGUOYDYEM-KKZNHRDASA-N 0 3 230.283 0.324 20 0 BCADHN Cn1ccc(CNCCn2cncn2)c1 ZINC000127259830 384852912 /nfs/dbraw/zinc/85/29/12/384852912.db2.gz BKMLPGHORHKDSX-UHFFFAOYSA-N 0 3 205.265 0.406 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNCc1cncn1C ZINC000112380977 384853457 /nfs/dbraw/zinc/85/34/57/384853457.db2.gz UQJYTFOJTNNKCS-KOLCDFICSA-N 0 3 211.309 0.917 20 0 BCADHN CCN(CC(=O)NC(=O)NC)[C@H](C)C(C)C ZINC000101727419 384855201 /nfs/dbraw/zinc/85/52/01/384855201.db2.gz HNADUTQGXMJJTA-SECBINFHSA-N 0 3 229.324 0.808 20 0 BCADHN COC(=O)CCCC(=O)NCCN(C)C ZINC000163974285 384888895 /nfs/dbraw/zinc/88/88/95/384888895.db2.gz WXZYGKUZMICTRH-UHFFFAOYSA-N 0 3 216.281 0.008 20 0 BCADHN COC[C@@H](CCO)NCc1ccn(C)c1 ZINC000127275208 384856519 /nfs/dbraw/zinc/85/65/19/384856519.db2.gz CVMMSKNUPWSBHE-LLVKDONJSA-N 0 3 212.293 0.512 20 0 BCADHN COCCC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177066165 384858470 /nfs/dbraw/zinc/85/84/70/384858470.db2.gz HWJXUGVQPHQZSC-VHSXEESVSA-N 0 3 226.320 0.764 20 0 BCADHN CC(=O)NCCCNCc1n[nH]cc1C ZINC000336756710 384858904 /nfs/dbraw/zinc/85/89/04/384858904.db2.gz JPBYTPULFMFIBH-UHFFFAOYSA-N 0 3 210.281 0.334 20 0 BCADHN COCCC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177066124 384859921 /nfs/dbraw/zinc/85/99/21/384859921.db2.gz HWJXUGVQPHQZSC-ZJUUUORDSA-N 0 3 226.320 0.764 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2cocn2)C1 ZINC000105328152 384861695 /nfs/dbraw/zinc/86/16/95/384861695.db2.gz SQBPIFJNUHRIRT-VIFPVBQESA-N 0 3 223.276 0.841 20 0 BCADHN CCN(C)CCNC(=O)NC[C@@H]1CCSC1 ZINC000448171129 384862358 /nfs/dbraw/zinc/86/23/58/384862358.db2.gz TYGWQJJHQCCLMB-JTQLQIEISA-N 0 3 245.392 0.990 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643729328 384864359 /nfs/dbraw/zinc/86/43/59/384864359.db2.gz WPXNADKXBMESJE-XGEHTFHBSA-N 0 3 212.293 0.263 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@H]1CN(C)CCO1 ZINC000105470835 384869357 /nfs/dbraw/zinc/86/93/57/384869357.db2.gz FPFWRFMSIGRTQR-NSHDSACASA-N 0 3 238.335 0.447 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C1CCOCC1 ZINC000225524470 384869326 /nfs/dbraw/zinc/86/93/26/384869326.db2.gz QXEYZDRRWVLNHH-ONGXEEELSA-N 0 3 228.336 0.901 20 0 BCADHN O=C(CC1CCC1)NC[C@@H]1C[C@H](F)CN1 ZINC000368229373 384949656 /nfs/dbraw/zinc/94/96/56/384949656.db2.gz SPKRWGSSHFBVFA-UWVGGRQHSA-N 0 3 214.284 0.993 20 0 BCADHN CO[C@H](CN1CCOC[C@@H](O)C1)C1CC1 ZINC000400146844 384949733 /nfs/dbraw/zinc/94/97/33/384949733.db2.gz ZNJMQGWRJNTYBV-WDEREUQCSA-N 0 3 215.293 0.105 20 0 BCADHN Cc1ccc(O)c(CN[C@@H](C)C[S@](C)=O)n1 ZINC000164258776 384950525 /nfs/dbraw/zinc/95/05/25/384950525.db2.gz DMXKZBXDKXRJOS-XXFAHNHDSA-N 0 3 242.344 0.952 20 0 BCADHN Cc1ccc([O-])c(C[NH2+][C@@H](C)C[S@](C)=O)n1 ZINC000164258776 384950531 /nfs/dbraw/zinc/95/05/31/384950531.db2.gz DMXKZBXDKXRJOS-XXFAHNHDSA-N 0 3 242.344 0.952 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)/C=C\CN(C)C ZINC000491871477 384951999 /nfs/dbraw/zinc/95/19/99/384951999.db2.gz QLJFAZMQDNVSQR-JYESYGNLSA-N 0 3 242.319 0.372 20 0 BCADHN C[C@]1(NCC(=O)N2CCC2)CCO[C@H]1C1CC1 ZINC000371746725 384952180 /nfs/dbraw/zinc/95/21/80/384952180.db2.gz LNAYWXWXTILGMS-STQMWFEESA-N 0 3 238.331 0.766 20 0 BCADHN CC(C)C(=O)NCCNCc1ccn(C)c1 ZINC000085590135 384957546 /nfs/dbraw/zinc/95/75/46/384957546.db2.gz FEULIJUMCDLPOU-UHFFFAOYSA-N 0 3 223.320 0.887 20 0 BCADHN CCOC[C@H](C)N[C@@H]1CC(=O)N(C)C1 ZINC000308650902 384893894 /nfs/dbraw/zinc/89/38/94/384893894.db2.gz KCEODTXJNCPQSE-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CSCCN(C)C[C@@H]1CNC(=O)O1 ZINC000497233965 384894973 /nfs/dbraw/zinc/89/49/73/384894973.db2.gz SWIRFARTIBRXKA-ZETCQYMHSA-N 0 3 204.295 0.390 20 0 BCADHN CCNC(=O)CN(C)CC1(N(C)C)CCC1 ZINC000186958454 384900411 /nfs/dbraw/zinc/90/04/11/384900411.db2.gz BUQJVQWAIRCZMU-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN O=C1CC[C@@H]2CN(C[C@@H]3CCOC3)CCN12 ZINC000336265551 384901439 /nfs/dbraw/zinc/90/14/39/384901439.db2.gz KCYAMSIEGFMUPO-WDEREUQCSA-N 0 3 224.304 0.330 20 0 BCADHN CN1C[C@@H](CN2CC[C@@H](O)C(C)(C)C2)OC1=O ZINC000497246684 384904724 /nfs/dbraw/zinc/90/47/24/384904724.db2.gz QNYZYVIVGGZEKJ-VHSXEESVSA-N 0 3 242.319 0.530 20 0 BCADHN COC(=O)c1cccc(NC(=O)[C@@H](C)N)c1 ZINC000027642360 384907519 /nfs/dbraw/zinc/90/75/19/384907519.db2.gz OYJYMJVXOULNKZ-SSDOTTSWSA-N 0 3 222.244 0.759 20 0 BCADHN CSC[C@@H](C)NC(=O)C1(N)CCC1 ZINC000127622430 384908259 /nfs/dbraw/zinc/90/82/59/384908259.db2.gz UWIUMZPIGDQJSI-SSDOTTSWSA-N 0 3 202.323 0.736 20 0 BCADHN CC(C)C[C@H](N)c1noc([C@H]2CNCCO2)n1 ZINC000647129989 384908614 /nfs/dbraw/zinc/90/86/14/384908614.db2.gz USRWMAWSGSGXNS-DTWKUNHWSA-N 0 3 240.307 0.776 20 0 BCADHN Nc1ncc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)s1 ZINC000156614302 384908978 /nfs/dbraw/zinc/90/89/78/384908978.db2.gz LPAVNSWAAANKND-SFGNSQDASA-N 0 3 239.344 0.928 20 0 BCADHN CCN(CC)C(=O)N[C@@H](C)CN(C)C ZINC000127662612 384911396 /nfs/dbraw/zinc/91/13/96/384911396.db2.gz YRNLGHPGXWMVFQ-VIFPVBQESA-N 0 3 201.314 0.988 20 0 BCADHN CCO[C@@H]1C[C@H]1NC(=O)NC1CCN(C)CC1 ZINC000559259938 384912362 /nfs/dbraw/zinc/91/23/62/384912362.db2.gz DAQAJQRJXNTIQF-GHMZBOCLSA-N 0 3 241.335 0.557 20 0 BCADHN CN(C)CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000106363710 384912396 /nfs/dbraw/zinc/91/23/96/384912396.db2.gz XDKBYTNDIUODCN-JTQLQIEISA-N 0 3 213.325 0.101 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](CC)C(=O)OC ZINC000236963074 384913598 /nfs/dbraw/zinc/91/35/98/384913598.db2.gz UHEBDEUTSNXOEN-VGMNWLOBSA-N 0 3 230.308 0.428 20 0 BCADHN CC[C@@H](C(N)=O)N(CC)C[C@H]1CCCO1 ZINC000251206130 384915224 /nfs/dbraw/zinc/91/52/24/384915224.db2.gz IEDNEYNPCQKKGQ-ZJUUUORDSA-N 0 3 214.309 0.751 20 0 BCADHN CNS(=O)(=O)CCN[C@H](C)c1ccccc1 ZINC000187196193 384919935 /nfs/dbraw/zinc/91/99/35/384919935.db2.gz ABBIXKUDNYMJOS-SNVBAGLBSA-N 0 3 242.344 0.886 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCOC[C@H](O)C1 ZINC000331936708 384959561 /nfs/dbraw/zinc/95/95/61/384959561.db2.gz XBZFRGWLJQNWSD-NXEZZACHSA-N 0 3 217.309 0.087 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)OCCCF)C1 ZINC000497271119 384926904 /nfs/dbraw/zinc/92/69/04/384926904.db2.gz XOEBTXSYTFZTQR-SNVBAGLBSA-N 0 3 234.271 0.139 20 0 BCADHN CN(CC1CCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336281210 384929064 /nfs/dbraw/zinc/92/90/64/384929064.db2.gz UAZYMZDCLNROIA-NSHDSACASA-N 0 3 246.376 0.752 20 0 BCADHN COC[C@@H](CCO)N[C@@H]1CCCc2n[nH]cc21 ZINC000367615140 384933964 /nfs/dbraw/zinc/93/39/64/384933964.db2.gz KAKFWODXTHZLNA-MWLCHTKSSA-N 0 3 239.319 0.774 20 0 BCADHN N[C@@H](C(=O)NC[C@H]1CCCCO1)C1CCC1 ZINC000331905225 384936084 /nfs/dbraw/zinc/93/60/84/384936084.db2.gz RWNCHOBAINHBMX-GHMZBOCLSA-N 0 3 226.320 0.799 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)[C@@H](N)C2CCC2)C1 ZINC000331899684 384937233 /nfs/dbraw/zinc/93/72/33/384937233.db2.gz BMOBTEQPZCITSR-MXWKQRLJSA-N 0 3 226.320 0.798 20 0 BCADHN COCCOC[C@H](O)CNCc1ccoc1C ZINC000644526829 384937945 /nfs/dbraw/zinc/93/79/45/384937945.db2.gz BOFSMXQNNTXWAA-GFCCVEGCSA-N 0 3 243.303 0.702 20 0 BCADHN C[C@@H](O)CN[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000644529269 384940142 /nfs/dbraw/zinc/94/01/42/384940142.db2.gz FYIYFVJJXYZUHE-MNOVXSKESA-N 0 3 234.299 0.762 20 0 BCADHN C[C@@H]1CNCCN1c1cc(NC2CC2)ncn1 ZINC000258768545 384943122 /nfs/dbraw/zinc/94/31/22/384943122.db2.gz QGCLNCGQVSTUMQ-SECBINFHSA-N 0 3 233.319 0.849 20 0 BCADHN COc1cccc(CNC[C@@H]2CNCCN2C)c1 ZINC000258883665 384944376 /nfs/dbraw/zinc/94/43/76/384944376.db2.gz JGQVGKDNNYCTQN-ZDUSSCGKSA-N 0 3 249.358 0.688 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)N(C)C1CC1 ZINC000057719223 384960615 /nfs/dbraw/zinc/96/06/15/384960615.db2.gz MYYGXMHQJMRWOD-VIFPVBQESA-N 0 3 249.314 0.587 20 0 BCADHN Cn1nccc1CNCCC[S@](C)=O ZINC000128850045 384966367 /nfs/dbraw/zinc/96/63/67/384966367.db2.gz WHMSNRSKJWSBQB-CQSZACIVSA-N 0 3 215.322 0.278 20 0 BCADHN CC(C)OC(=O)[C@@H](C)CNC(=O)C1(N)CCC1 ZINC000449301404 384968073 /nfs/dbraw/zinc/96/80/73/384968073.db2.gz RJKBDLWQQMJART-VIFPVBQESA-N 0 3 242.319 0.572 20 0 BCADHN CCSCCN[C@H](C)CS(C)(=O)=O ZINC000128980713 384969935 /nfs/dbraw/zinc/96/99/35/384969935.db2.gz WRPFCTXIDOQDJL-MRVPVSSYSA-N 0 3 225.379 0.762 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)NC1CCN(C)CC1 ZINC000177350327 384971557 /nfs/dbraw/zinc/97/15/57/384971557.db2.gz BKWIFJHISWIDRG-LLVKDONJSA-N 0 3 243.351 0.397 20 0 BCADHN CCSCCNC[C@@H]1CCCS1(=O)=O ZINC000129041572 384974787 /nfs/dbraw/zinc/97/47/87/384974787.db2.gz PKGMACDSPMBNCV-VIFPVBQESA-N 0 3 237.390 0.906 20 0 BCADHN C[C@H](O)CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000085989724 384978091 /nfs/dbraw/zinc/97/80/91/384978091.db2.gz ZJOZVHXPBXYGPS-JQWIXIFHSA-N 0 3 236.315 0.616 20 0 BCADHN CN1CCN(CCCSc2c[nH]nn2)CC1 ZINC000130956193 384979436 /nfs/dbraw/zinc/97/94/36/384979436.db2.gz QRLBKAREYFKOSC-UHFFFAOYSA-N 0 3 241.364 0.534 20 0 BCADHN CN1CCN(CCCSc2cn[nH]n2)CC1 ZINC000130956193 384979442 /nfs/dbraw/zinc/97/94/42/384979442.db2.gz QRLBKAREYFKOSC-UHFFFAOYSA-N 0 3 241.364 0.534 20 0 BCADHN CCCNC(=O)CN1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000555878078 384981056 /nfs/dbraw/zinc/98/10/56/384981056.db2.gz HKAHFIYOJXJAAE-NWDGAFQWSA-N 0 3 239.363 0.681 20 0 BCADHN CC[C@@H](O)CN[C@@H]1CC(=O)N(C2CC2)C1 ZINC000644583562 384981406 /nfs/dbraw/zinc/98/14/06/384981406.db2.gz RRUUSKDCYYNYJV-PSASIEDQSA-N 0 3 212.293 0.110 20 0 BCADHN Cc1ccoc1CNCC1(CO)COC1 ZINC000332015744 384983855 /nfs/dbraw/zinc/98/38/55/384983855.db2.gz SEWNSSMACNTICR-UHFFFAOYSA-N 0 3 211.261 0.687 20 0 BCADHN CCC1(CNC(=O)CNCCOC)CCC1 ZINC000226344461 384985107 /nfs/dbraw/zinc/98/51/07/384985107.db2.gz HSJDZWPNSKCDPM-UHFFFAOYSA-N 0 3 228.336 0.919 20 0 BCADHN C[C@H](N)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000037008444 384985843 /nfs/dbraw/zinc/98/58/43/384985843.db2.gz LSDFQHSKMVWGDB-JTQLQIEISA-N 0 3 248.330 0.514 20 0 BCADHN Nc1ccc(C(=O)NCCN2CCCCC2)nc1 ZINC000156839474 384990512 /nfs/dbraw/zinc/99/05/12/384990512.db2.gz UDQYKTXNWVRPHM-UHFFFAOYSA-N 0 3 248.330 0.880 20 0 BCADHN CO[C@@]1(CNCc2ccnn2C)CCOC1 ZINC000156860976 384993304 /nfs/dbraw/zinc/99/33/04/384993304.db2.gz IDMHRIQMKWRRPK-LLVKDONJSA-N 0 3 225.292 0.315 20 0 BCADHN C[C@H]1C[C@@H](NC[C@@H](O)C(F)(F)F)CO1 ZINC000647205526 384995869 /nfs/dbraw/zinc/99/58/69/384995869.db2.gz DXWWXNCTLFBLNE-RRKCRQDMSA-N 0 3 213.199 0.677 20 0 BCADHN CCS(=O)(=O)N[C@H](C)CN(C)C(C)C ZINC000308700219 384999884 /nfs/dbraw/zinc/99/98/84/384999884.db2.gz UTGZOZHNWGFLJU-SECBINFHSA-N 0 3 222.354 0.654 20 0 BCADHN CN1C[C@@H](NCc2ccns2)CCC1=O ZINC000404454725 385000083 /nfs/dbraw/zinc/00/00/83/385000083.db2.gz OKSVEPIEMFBRFM-QMMMGPOBSA-N 0 3 225.317 0.854 20 0 BCADHN Cn1cc(CCNC(=O)[C@@H]2CCCCN2)cn1 ZINC000128130301 385001743 /nfs/dbraw/zinc/00/17/43/385001743.db2.gz GSQOYWKIHZOIQW-NSHDSACASA-N 0 3 236.319 0.221 20 0 BCADHN COCC[C@@H](CO)NCc1ccns1 ZINC000404457646 385004249 /nfs/dbraw/zinc/00/42/49/385004249.db2.gz LDKAANVOCWTGQG-QMMMGPOBSA-N 0 3 216.306 0.630 20 0 BCADHN CC[C@@H](N)C(=O)NCCCCCOC ZINC000129569493 385004394 /nfs/dbraw/zinc/00/43/94/385004394.db2.gz WXLWUKPVWNFKHG-SECBINFHSA-N 0 3 202.298 0.657 20 0 BCADHN C[C@H](CN[C@@H](C)[C@@H]1CCCCO1)S(C)(=O)=O ZINC000644616891 385006321 /nfs/dbraw/zinc/00/63/21/385006321.db2.gz SLWRREACCHDKOI-VWYCJHECSA-N 0 3 249.376 0.967 20 0 BCADHN Cc1cc(CNC[C@]2(O)CCOC2)sn1 ZINC000404445094 385006938 /nfs/dbraw/zinc/00/69/38/385006938.db2.gz CFZGIRGLRVUQDA-SNVBAGLBSA-N 0 3 228.317 0.693 20 0 BCADHN C[C@@H](O)CNCc1cccc(N(C)C)n1 ZINC000644608805 385009978 /nfs/dbraw/zinc/00/99/78/385009978.db2.gz DYJABJSWLJJHNW-SECBINFHSA-N 0 3 209.293 0.618 20 0 BCADHN C[C@@H](NC(=O)[C@H](N)c1ccccc1)c1nc[nH]n1 ZINC000226408285 385012223 /nfs/dbraw/zinc/01/22/23/385012223.db2.gz NTVMFKIFTBJEOK-PSASIEDQSA-N 0 3 245.286 0.682 20 0 BCADHN C[C@@H](NC(=O)[C@H](N)c1ccccc1)c1nnc[nH]1 ZINC000226408285 385012232 /nfs/dbraw/zinc/01/22/32/385012232.db2.gz NTVMFKIFTBJEOK-PSASIEDQSA-N 0 3 245.286 0.682 20 0 BCADHN C[C@@H]1OCC[C@]1(O)CNCc1ccns1 ZINC000404466642 385012889 /nfs/dbraw/zinc/01/28/89/385012889.db2.gz WLRSKGJZBXWZJD-WPRPVWTQSA-N 0 3 228.317 0.773 20 0 BCADHN COC[C@@H](CNCc1ccns1)OC ZINC000404468404 385014835 /nfs/dbraw/zinc/01/48/35/385014835.db2.gz VSJZJYNLGNGRKY-MRVPVSSYSA-N 0 3 216.306 0.894 20 0 BCADHN Cc1cc(CNC[C@H]2CNC(=O)C2)sn1 ZINC000404512697 385023218 /nfs/dbraw/zinc/02/32/18/385023218.db2.gz RWEIKTRLMHTWGP-QMMMGPOBSA-N 0 3 225.317 0.677 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000491908685 385015609 /nfs/dbraw/zinc/01/56/09/385015609.db2.gz VTGILNZOQDPERG-KSOFABFVSA-N 0 3 240.347 0.772 20 0 BCADHN C[C@H](Cn1cccn1)NC(=O)[C@@H](N)CC(F)F ZINC000310369607 385018168 /nfs/dbraw/zinc/01/81/68/385018168.db2.gz NHERWAUOHUJDQR-SFYZADRCSA-N 0 3 246.261 0.370 20 0 BCADHN CCN(CCNC(=O)c1cnccc1N)C1CC1 ZINC000188157637 385019909 /nfs/dbraw/zinc/01/99/09/385019909.db2.gz ULPJVSBEQCHXQX-UHFFFAOYSA-N 0 3 248.330 0.878 20 0 BCADHN OC1CCN(CCNCc2ccns2)CC1 ZINC000404488893 385020108 /nfs/dbraw/zinc/02/01/08/385020108.db2.gz FPSCWXUMCMPLEE-UHFFFAOYSA-N 0 3 241.360 0.689 20 0 BCADHN CC[C@H]1CN(CCOCCO)CCCO1 ZINC000300895038 385020154 /nfs/dbraw/zinc/02/01/54/385020154.db2.gz MYTKSBCGZHUUFJ-NSHDSACASA-N 0 3 217.309 0.496 20 0 BCADHN CC[C@@H](Cn1cncn1)NC1COCCOC1 ZINC000644551999 384962177 /nfs/dbraw/zinc/96/21/77/384962177.db2.gz CBIOWYIKLNMGIT-JTQLQIEISA-N 0 3 240.307 0.062 20 0 BCADHN COCC(C)(C)NC(=O)NC[C@@H]1CCCN1C ZINC000164865487 385048019 /nfs/dbraw/zinc/04/80/19/385048019.db2.gz FYWKTWKENFFCPJ-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000177569597 385051537 /nfs/dbraw/zinc/05/15/37/385051537.db2.gz ZMTFDJRCJYGTIS-BBBLOLIVSA-N 0 3 239.319 0.692 20 0 BCADHN C[C@@H](N[C@H]1COCC1(C)C)C(=O)N(C)C ZINC000312990254 385051832 /nfs/dbraw/zinc/05/18/32/385051832.db2.gz CIKDFYOALZANGK-BDAKNGLRSA-N 0 3 214.309 0.478 20 0 BCADHN [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ncccc2[O-])C1 ZINC000128603381 385053224 /nfs/dbraw/zinc/05/32/24/385053224.db2.gz NKLDKRFGQOTOEB-HTQZYQBOSA-N 0 3 221.260 0.853 20 0 BCADHN C[C@H](O)CNCc1c2c(nn1C)CCCC2 ZINC000644651626 385055813 /nfs/dbraw/zinc/05/58/13/385055813.db2.gz DKYOMFWMGOCDFR-VIFPVBQESA-N 0 3 223.320 0.769 20 0 BCADHN CS[C@@H]1CC[C@H]1N[C@H](C)CS(C)(=O)=O ZINC000308738042 385057122 /nfs/dbraw/zinc/05/71/22/385057122.db2.gz MTFKSVWOQDPJDV-IWSPIJDZSA-N 0 3 237.390 0.903 20 0 BCADHN C[C@@H](C(=O)N1CC[C@H]2CN(C)C[C@H]21)N(C)C ZINC000646917150 385058643 /nfs/dbraw/zinc/05/86/43/385058643.db2.gz YLYFLQNXPHPMIS-GARJFASQSA-N 0 3 225.336 0.099 20 0 BCADHN Cc1ccc(CNC(=O)[C@H](N)C(C)C)cn1 ZINC000059929553 385058807 /nfs/dbraw/zinc/05/88/07/385058807.db2.gz GIQOHGGTNHUVLL-LLVKDONJSA-N 0 3 221.304 0.990 20 0 BCADHN O=C(CO)N1CCN(CC2CCCC2)CC1 ZINC000335705621 385060412 /nfs/dbraw/zinc/06/04/12/385060412.db2.gz GGIXXGXTGKVJOT-UHFFFAOYSA-N 0 3 226.320 0.313 20 0 BCADHN COC[C@H](C)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000177611263 385062157 /nfs/dbraw/zinc/06/21/57/385062157.db2.gz GVMKVTRNIFYSGF-STQMWFEESA-N 0 3 242.363 0.675 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cnn1 ZINC000646913195 385064799 /nfs/dbraw/zinc/06/47/99/385064799.db2.gz ATLAYNBYPLOHOK-JQWIXIFHSA-N 0 3 246.314 0.561 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cnn1 ZINC000646913196 385064939 /nfs/dbraw/zinc/06/49/39/385064939.db2.gz ATLAYNBYPLOHOK-PWSUYJOCSA-N 0 3 246.314 0.561 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC000646914098 385065542 /nfs/dbraw/zinc/06/55/42/385065542.db2.gz PKPDKXBRGWVOSO-WDEREUQCSA-N 0 3 234.303 0.046 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@](C)(O)C2CC2)C1 ZINC000646913848 385066127 /nfs/dbraw/zinc/06/61/27/385066127.db2.gz OADBTTKEEXQKCV-GAFUQQFSSA-N 0 3 238.331 0.310 20 0 BCADHN COCC(C)(C)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646911856 385067099 /nfs/dbraw/zinc/06/70/99/385067099.db2.gz IIKMOZITGUWDRU-WDEREUQCSA-N 0 3 240.347 0.822 20 0 BCADHN CO[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@@H]21)C(C)C ZINC000646940615 385068646 /nfs/dbraw/zinc/06/86/46/385068646.db2.gz JBCYQDXOURUOPX-WOPDTQHZSA-N 0 3 240.347 0.820 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H]2CN(C)C[C@@H]21)N(C)C ZINC000646937797 385068945 /nfs/dbraw/zinc/06/89/45/385068945.db2.gz SSPBDLUECQIRPY-TUAOUCFPSA-N 0 3 239.363 0.489 20 0 BCADHN COCC1(C(=O)N2CC[C@H]3CN(C)C[C@H]32)CC1 ZINC000646915751 385070618 /nfs/dbraw/zinc/07/06/18/385070618.db2.gz UJMIZJATWHZERK-WDEREUQCSA-N 0 3 238.331 0.576 20 0 BCADHN C[C@@H](NCC1([S@@](C)=O)CC1)c1ccnn1C ZINC000336679281 385072448 /nfs/dbraw/zinc/07/24/48/385072448.db2.gz AHLLEXJULZMADK-JDNHERCYSA-N 0 3 241.360 0.982 20 0 BCADHN CC[C@@H]1CCN1CCN1C(=O)CNC1=O ZINC000408382891 385073943 /nfs/dbraw/zinc/07/39/43/385073943.db2.gz UDUNJKZGYBDGHJ-MRVPVSSYSA-N 0 3 211.265 0.023 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Cc3ccon3)[C@H]2C1 ZINC000646927362 385074562 /nfs/dbraw/zinc/07/45/62/385074562.db2.gz JCHSIMPPXLYDQJ-KOLCDFICSA-N 0 3 235.287 0.380 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)Cc2cc[nH]n2)C1 ZINC000646933520 385074688 /nfs/dbraw/zinc/07/46/88/385074688.db2.gz FAUZQLPREFWNKJ-ONGXEEELSA-N 0 3 234.303 0.115 20 0 BCADHN Cc1noc(CCC(=O)N(C)CCN(C)C)n1 ZINC000176384486 385075117 /nfs/dbraw/zinc/07/51/17/385075117.db2.gz DXQMHUAJSYCEPE-UHFFFAOYSA-N 0 3 240.307 0.331 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@H](O)CC(C)(C)C1 ZINC000336235008 385076353 /nfs/dbraw/zinc/07/63/53/385076353.db2.gz WIWBFRLBTCRIJL-MNOVXSKESA-N 0 3 242.363 0.946 20 0 BCADHN CCCN1CCC[C@@H]1CS(N)(=O)=O ZINC000407947481 385077146 /nfs/dbraw/zinc/07/71/46/385077146.db2.gz VKIAVIOKMRSEAS-MRVPVSSYSA-N 0 3 206.311 0.149 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)C3(O)CCC3)[C@@H]2C1 ZINC000646934168 385079564 /nfs/dbraw/zinc/07/95/64/385079564.db2.gz PDMYGCUZZOUJJV-VHSXEESVSA-N 0 3 224.304 0.064 20 0 BCADHN C[C@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC000646952296 385081652 /nfs/dbraw/zinc/08/16/52/385081652.db2.gz KZQKMXFHQDLHMP-ZJUUUORDSA-N 0 3 214.309 0.167 20 0 BCADHN CC(C)(O)[C@@H]1CCCN1CCCS(C)(=O)=O ZINC000407947745 385081938 /nfs/dbraw/zinc/08/19/38/385081938.db2.gz DRCOOSVZTHFTIO-JTQLQIEISA-N 0 3 249.376 0.656 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccnc(CN)c2)[C@@H](C)CN1 ZINC000564931835 385082648 /nfs/dbraw/zinc/08/26/48/385082648.db2.gz VCNLISKJAHLVHE-ZJUUUORDSA-N 0 3 248.330 0.363 20 0 BCADHN CC(C)[C@H](NCC(N)=O)C1(CO)CCC1 ZINC000339731448 385024115 /nfs/dbraw/zinc/02/41/15/385024115.db2.gz SGKIRAYGAQLEPM-JTQLQIEISA-N 0 3 214.309 0.249 20 0 BCADHN CC[C@@H](O)CNC[C@H]1CCCCS1(=O)=O ZINC000644619751 385027950 /nfs/dbraw/zinc/02/79/50/385027950.db2.gz GFLYARLEFYUOJR-NXEZZACHSA-N 0 3 235.349 0.314 20 0 BCADHN C[C@@H]1C[C@H](N[C@H](CO)CC(F)F)CO1 ZINC000647206627 385028598 /nfs/dbraw/zinc/02/85/98/385028598.db2.gz ZRANNSGTUKXQAJ-CSMHCCOUSA-N 0 3 209.236 0.770 20 0 BCADHN C[C@H](O)CN(CCO)Cc1ccc(CO)cc1 ZINC000310397102 385030919 /nfs/dbraw/zinc/03/09/19/385030919.db2.gz FTHVNLUCBMVLLD-NSHDSACASA-N 0 3 239.315 0.354 20 0 BCADHN C[C@H]1C[C@@H](NCC2(S(C)(=O)=O)CCC2)CO1 ZINC000647208001 385083200 /nfs/dbraw/zinc/08/32/00/385083200.db2.gz YGUDMYOWHMJIAH-VHSXEESVSA-N 0 3 247.360 0.721 20 0 BCADHN CCC[C@H](N)C(=O)N[C@]1(C)CCOC1 ZINC000119136112 385036427 /nfs/dbraw/zinc/03/64/27/385036427.db2.gz PLRVVPLCIUHAGX-WCBMZHEXSA-N 0 3 200.282 0.409 20 0 BCADHN CC(=O)Nc1ccc(CNC[C@@H](C)O)cn1 ZINC000644634278 385037768 /nfs/dbraw/zinc/03/77/68/385037768.db2.gz CWOWFARBIAHPJM-MRVPVSSYSA-N 0 3 223.276 0.510 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CC12CC2 ZINC000423621677 385039004 /nfs/dbraw/zinc/03/90/04/385039004.db2.gz YGDWVDMRTZGNGK-AEJSXWLSSA-N 0 3 208.305 0.995 20 0 BCADHN Cc1ccc(CN[C@H]2CO[C@@H](C)C2)c(=O)n1C ZINC000647206945 385039273 /nfs/dbraw/zinc/03/92/73/385039273.db2.gz NFAFCXSWPLXNJE-CMPLNLGQSA-N 0 3 236.315 0.961 20 0 BCADHN CCC1(C(=O)NCCNCCOC)CCC1 ZINC000152276349 385042557 /nfs/dbraw/zinc/04/25/57/385042557.db2.gz KCUXMHVTHPYOFF-UHFFFAOYSA-N 0 3 228.336 0.919 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCc1cnn(C)c1C ZINC000226697630 385044153 /nfs/dbraw/zinc/04/41/53/385044153.db2.gz AOZRGAOKRZGYNM-LDYMZIIASA-N 0 3 238.335 0.718 20 0 BCADHN CC(C)[N@H+](C)CC(=O)N[C@@H](C)c1nnc[n-]1 ZINC000176233914 385045890 /nfs/dbraw/zinc/04/58/90/385045890.db2.gz DPNVHPUQGMNKTQ-QMMMGPOBSA-N 0 3 225.296 0.322 20 0 BCADHN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)c1nnc[n-]1 ZINC000176233914 385045895 /nfs/dbraw/zinc/04/58/95/385045895.db2.gz DPNVHPUQGMNKTQ-QMMMGPOBSA-N 0 3 225.296 0.322 20 0 BCADHN CO[C@@H](CN)c1nc(-c2ccncc2)no1 ZINC000227297305 385113805 /nfs/dbraw/zinc/11/38/05/385113805.db2.gz LNLBXSCTYVIQLP-QMMMGPOBSA-N 0 3 220.232 0.778 20 0 BCADHN CC[C@@H](O)CC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000648292970 385115956 /nfs/dbraw/zinc/11/59/56/385115956.db2.gz DDNHWECWQLOIQF-VXGBXAGGSA-N 0 3 240.347 0.748 20 0 BCADHN CCN1CCN(CCc2cn(C)nn2)[C@H](C)C1 ZINC000625425221 385118277 /nfs/dbraw/zinc/11/82/77/385118277.db2.gz NFTACDCTRIAZRE-LLVKDONJSA-N 0 3 237.351 0.384 20 0 BCADHN CCN(C)CCNC(=O)N[C@H](COC)C1CC1 ZINC000158646456 385118835 /nfs/dbraw/zinc/11/88/35/385118835.db2.gz QKQSKMJJHFYVLD-LLVKDONJSA-N 0 3 243.351 0.662 20 0 BCADHN CO[C@@H](CN)C(=O)NCCc1csc(C)n1 ZINC000227419725 385141982 /nfs/dbraw/zinc/14/19/82/385141982.db2.gz XBAHQDHHGSNLNN-VIFPVBQESA-N 0 3 243.332 0.084 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cccc2c[nH]nc21 ZINC000227359114 385123364 /nfs/dbraw/zinc/12/33/64/385123364.db2.gz MGCWBIISXUMUNK-SECBINFHSA-N 0 3 234.259 0.475 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(=O)[nH]c1 ZINC000061652204 385128788 /nfs/dbraw/zinc/12/87/88/385128788.db2.gz MAXOWGITHNAMBU-LLVKDONJSA-N 0 3 249.314 0.541 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1ccn(C)n1 ZINC000585670177 385129826 /nfs/dbraw/zinc/12/98/26/385129826.db2.gz JBBQTRSLKXPCJW-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@@H](N)C(C)(C)C ZINC000237004707 385130386 /nfs/dbraw/zinc/13/03/86/385130386.db2.gz PAIKGDZXWDCCHM-IVZWLZJFSA-N 0 3 230.352 0.883 20 0 BCADHN CCN(CCO)CCNC(=O)c1coc(C)c1 ZINC000189164687 385131493 /nfs/dbraw/zinc/13/14/93/385131493.db2.gz FBCUKYPLXJQQDM-UHFFFAOYSA-N 0 3 240.303 0.632 20 0 BCADHN CC[C@@H](C)CN(CC)CCNS(C)(=O)=O ZINC000177855763 385131689 /nfs/dbraw/zinc/13/16/89/385131689.db2.gz QEWCFWDWLOQQKW-SNVBAGLBSA-N 0 3 236.381 0.904 20 0 BCADHN Cc1nn(C)c(C)c1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644715054 385133355 /nfs/dbraw/zinc/13/33/55/385133355.db2.gz JVKIFGXHVJIBMC-ITGUQSILSA-N 0 3 235.331 0.707 20 0 BCADHN Cc1nc(C)c(CN2C[C@H]3[C@H](CO)[C@H]3C2)o1 ZINC000644714918 385133979 /nfs/dbraw/zinc/13/39/79/385133979.db2.gz KGNLBLDBRUMLTI-URLYPYJESA-N 0 3 222.288 0.962 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000227385032 385135035 /nfs/dbraw/zinc/13/50/35/385135035.db2.gz HRRGOTIDBVHCKX-LMLFDSFASA-N 0 3 228.336 0.901 20 0 BCADHN CCC1(CC)CCN(C(=O)[C@H](CN)OC)C1 ZINC000227391626 385136516 /nfs/dbraw/zinc/13/65/16/385136516.db2.gz XGCBPJAHFVCVPX-JTQLQIEISA-N 0 3 228.336 0.999 20 0 BCADHN CC(C)C(=O)N[C@H]1CCCN(C[C@@H](C)O)C1 ZINC000407955085 385138528 /nfs/dbraw/zinc/13/85/28/385138528.db2.gz HHEZUXAAOYQNBS-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN CS(=O)(=O)NCCN1CC[C@@H]2CCC[C@H]21 ZINC000336346021 385139089 /nfs/dbraw/zinc/13/90/89/385139089.db2.gz BOIGUNMSOPLROA-VHSXEESVSA-N 0 3 232.349 0.410 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC[C@@H](O)[C@@H](C)CC ZINC000237004837 385139202 /nfs/dbraw/zinc/13/92/02/385139202.db2.gz RIPCGUXQUGMDKO-MMWGEVLESA-N 0 3 230.352 0.883 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000227400968 385140304 /nfs/dbraw/zinc/14/03/04/385140304.db2.gz JLODFDIIWDJFNR-YUMQZZPRSA-N 0 3 243.332 0.602 20 0 BCADHN CN(C(=O)c1cnn(C)c1)[C@@H]1CCCN(C)C1 ZINC000151095357 385087419 /nfs/dbraw/zinc/08/74/19/385087419.db2.gz UHYOOOSBOCCEFO-LLVKDONJSA-N 0 3 236.319 0.586 20 0 BCADHN CC1(C)CCN(CC(=O)NCCCCO)C1 ZINC000557681465 385087706 /nfs/dbraw/zinc/08/77/06/385087706.db2.gz ZOTVNAMDDLSNOB-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN CN(C[C@@H]1CCCOC1)[C@H]1COC[C@H]1O ZINC000308784815 385101205 /nfs/dbraw/zinc/10/12/05/385101205.db2.gz FIJGFYUIRRPESM-GARJFASQSA-N 0 3 215.293 0.105 20 0 BCADHN COC(=O)C1(NC(=O)[C@@H](C)N)CCCCCC1 ZINC000152449395 385184357 /nfs/dbraw/zinc/18/43/57/385184357.db2.gz AMRMNZJMZDEGAS-SECBINFHSA-N 0 3 242.319 0.716 20 0 BCADHN CC[C@H](NCc1cccc2nccn21)C(=O)NC ZINC000449770075 385188207 /nfs/dbraw/zinc/18/82/07/385188207.db2.gz FHEDMEASSDQLDF-NSHDSACASA-N 0 3 246.314 0.949 20 0 BCADHN CN(CCOCC1CC1)[C@H]1COC[C@@H]1O ZINC000308824311 385189294 /nfs/dbraw/zinc/18/92/94/385189294.db2.gz QVZQDWSNOFNHSB-QWRGUYRKSA-N 0 3 215.293 0.105 20 0 BCADHN N[C@@H](CNC(=O)[C@H]1CCOC1)c1ccccc1 ZINC000062837812 385190272 /nfs/dbraw/zinc/19/02/72/385190272.db2.gz XLBJIFMPNWTRNO-RYUDHWBXSA-N 0 3 234.299 0.839 20 0 BCADHN N[C@H](CNC(=O)[C@@H]1CCCO1)c1ccccc1 ZINC000062838149 385190288 /nfs/dbraw/zinc/19/02/88/385190288.db2.gz VVKFZFKSCQOZFM-NEPJUHHUSA-N 0 3 234.299 0.982 20 0 BCADHN Cc1ocnc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000152550006 385191237 /nfs/dbraw/zinc/19/12/37/385191237.db2.gz VVSVGUIIPIZQJD-LLVKDONJSA-N 0 3 241.291 0.025 20 0 BCADHN NC(=O)C[C@H]1COCCN1C[C@@H]1CC=CCC1 ZINC000449769439 385191793 /nfs/dbraw/zinc/19/17/93/385191793.db2.gz HBYBYBBUEQPSFD-NEPJUHHUSA-N 0 3 238.331 0.919 20 0 BCADHN CC(C)[C@](C)(CO)NC[C@@H](O)C(F)(F)F ZINC000308831491 385198792 /nfs/dbraw/zinc/19/87/92/385198792.db2.gz GIHDYSNAAIUICJ-SFYZADRCSA-N 0 3 229.242 0.906 20 0 BCADHN COC(=O)[C@H]1CCCN(CCn2ccnc2)C1 ZINC000151986602 385146017 /nfs/dbraw/zinc/14/60/17/385146017.db2.gz MHKUUZRWGMFOBH-NSHDSACASA-N 0 3 237.303 0.768 20 0 BCADHN CCOC(=O)CCN1CC[C@](C)(O)C1 ZINC000177992349 385148521 /nfs/dbraw/zinc/14/85/21/385148521.db2.gz KQAHOPBMXBJLBZ-JTQLQIEISA-N 0 3 201.266 0.396 20 0 BCADHN c1nc(N2CCCC2)ncc1CN[C@@H]1CCOC1 ZINC000643802381 385152013 /nfs/dbraw/zinc/15/20/13/385152013.db2.gz XJWDIYZJIFOJEB-GFCCVEGCSA-N 0 3 248.330 0.955 20 0 BCADHN C[C@H](N)C(=O)NCCNC(=O)CC1CCCC1 ZINC000157350216 385154981 /nfs/dbraw/zinc/15/49/81/385154981.db2.gz YMYMAUMSDSHOOC-VIFPVBQESA-N 0 3 241.335 0.146 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)ncn1 ZINC000518787514 385159555 /nfs/dbraw/zinc/15/95/55/385159555.db2.gz HMPMCRWUMNTSHW-NXEZZACHSA-N 0 3 234.303 0.607 20 0 BCADHN CCc1nn(C)cc1CNC[C@@H](O)CC ZINC000163486947 385159841 /nfs/dbraw/zinc/15/98/41/385159841.db2.gz YXQYHFCFSQXCHP-JTQLQIEISA-N 0 3 211.309 0.843 20 0 BCADHN C[C@H]1[C@@H](NC(=O)N2CC(CO)C2)CCCN1C ZINC000359291192 385168454 /nfs/dbraw/zinc/16/84/54/385168454.db2.gz SLHDZAAZYXFLQO-ONGXEEELSA-N 0 3 241.335 0.103 20 0 BCADHN C[C@@H]1[C@H](NC(=O)N2CC(CO)C2)CCCN1C ZINC000359291188 385170947 /nfs/dbraw/zinc/17/09/47/385170947.db2.gz SLHDZAAZYXFLQO-MWLCHTKSSA-N 0 3 241.335 0.103 20 0 BCADHN CC(C)N(C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647305033 385174400 /nfs/dbraw/zinc/17/44/00/385174400.db2.gz LWHNWHAQILMVKW-IUCAKERBSA-N 0 3 217.288 0.736 20 0 BCADHN COC[C@H](O)CN[C@@H](C)c1cncc(F)c1 ZINC000129691577 385178448 /nfs/dbraw/zinc/17/84/48/385178448.db2.gz SATSNKQARMZIFA-GZMMTYOYSA-N 0 3 228.267 0.879 20 0 BCADHN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@H](C)N)C1 ZINC000246501654 385181058 /nfs/dbraw/zinc/18/10/58/385181058.db2.gz FBZLPRSYJNAFGZ-PIAUOXEZSA-N 0 3 246.376 0.530 20 0 BCADHN CCOC[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC000178207534 385207134 /nfs/dbraw/zinc/20/71/34/385207134.db2.gz DEGMVOZLTLGFDB-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN Cc1c[nH]nc1CNCC[C@@H](C)[S@](C)=O ZINC000308846908 385208184 /nfs/dbraw/zinc/20/81/84/385208184.db2.gz MORJDBDUAMVHGC-PSLIRLAXSA-N 0 3 229.349 0.965 20 0 BCADHN COCC[C@@](C)(O)CNCc1ccccn1 ZINC000172071344 385211468 /nfs/dbraw/zinc/21/14/68/385211468.db2.gz YTMKWFINLIFADX-GFCCVEGCSA-N 0 3 224.304 0.959 20 0 BCADHN C[C@]1(CNC(=O)[C@]2(F)CCNC2)CCCO1 ZINC000157533416 385212771 /nfs/dbraw/zinc/21/27/71/385212771.db2.gz FBASCWMPYUDRPQ-MNOVXSKESA-N 0 3 230.283 0.373 20 0 BCADHN Cc1cnc(CN[C@@H](C)CCCO)n1C ZINC000308852713 385216235 /nfs/dbraw/zinc/21/62/35/385216235.db2.gz OXMDFHPADDDCMM-VIFPVBQESA-N 0 3 211.309 0.979 20 0 BCADHN C[C@H](N[C@@H]1CSC[C@H]1C)C(=O)NC1CC1 ZINC000308852570 385217193 /nfs/dbraw/zinc/21/71/93/385217193.db2.gz NDGYPCIBZLLZMJ-KHQFGBGNSA-N 0 3 228.361 0.995 20 0 BCADHN C[C@@H]1OCC[C@@H]1NCC(=O)NC(C)(C)C ZINC000120018547 385222848 /nfs/dbraw/zinc/22/28/48/385222848.db2.gz DQGJDKVULFAZMZ-IUCAKERBSA-N 0 3 214.309 0.668 20 0 BCADHN Cn1nccc1CNCCN1CC=CCC1 ZINC000279883042 385223111 /nfs/dbraw/zinc/22/31/11/385223111.db2.gz UQYUOOCMBLPURB-UHFFFAOYSA-N 0 3 220.320 0.772 20 0 BCADHN CCc1nncn1CCN[C@H](C)c1cn[nH]c1 ZINC000559900268 385223362 /nfs/dbraw/zinc/22/33/62/385223362.db2.gz KAFOOQZVPVLMNO-SECBINFHSA-N 0 3 234.307 0.914 20 0 BCADHN N[C@H](C(=O)NC[C@@H]1CCC[C@H]1O)C1CCC1 ZINC000331438755 385223469 /nfs/dbraw/zinc/22/34/69/385223469.db2.gz DXVOJSKNRWGVJW-AXFHLTTASA-N 0 3 226.320 0.391 20 0 BCADHN CCOCCOCCN(C)CCn1cccn1 ZINC000190249021 385225768 /nfs/dbraw/zinc/22/57/68/385225768.db2.gz FQMYUPSOWHGBOZ-UHFFFAOYSA-N 0 3 241.335 0.868 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(C)C1 ZINC000608985320 385227086 /nfs/dbraw/zinc/22/70/86/385227086.db2.gz PIHHYRUUTBOCFG-KXUCPTDWSA-N 0 3 240.303 0.006 20 0 BCADHN CCOCC(=O)N[C@H]1CNCCC1(F)F ZINC000647075532 385228968 /nfs/dbraw/zinc/22/89/68/385228968.db2.gz JZHGRXDFLGIFEV-ZETCQYMHSA-N 0 3 222.235 0.136 20 0 BCADHN CN1CCC(C(=O)NCC(C)(C)CCO)CC1 ZINC000448262901 385229876 /nfs/dbraw/zinc/22/98/76/385229876.db2.gz GKWSSAQVXRIOFL-UHFFFAOYSA-N 0 3 242.363 0.853 20 0 BCADHN Cn1cc(CNC[C@H](CO)C2CC2)cn1 ZINC000308865780 385230628 /nfs/dbraw/zinc/23/06/28/385230628.db2.gz FFTFILDYQGYTCP-LLVKDONJSA-N 0 3 209.293 0.528 20 0 BCADHN Cn1nccc1CNC[C@H](CO)C1CC1 ZINC000308878320 385233564 /nfs/dbraw/zinc/23/35/64/385233564.db2.gz OSKLDSAGOJHUKU-SNVBAGLBSA-N 0 3 209.293 0.528 20 0 BCADHN Cc1ccc(C(=O)NC[C@@H]2CNCCO2)s1 ZINC000227784797 385235320 /nfs/dbraw/zinc/23/53/20/385235320.db2.gz VUJSLRQXHCKMMT-VIFPVBQESA-N 0 3 240.328 0.775 20 0 BCADHN CN(C)C/C=C\C(=O)NC1(CC(N)=O)CCC1 ZINC000492089685 385236934 /nfs/dbraw/zinc/23/69/34/385236934.db2.gz XMMRUXQFNRYNQI-HYXAFXHYSA-N 0 3 239.319 0.019 20 0 BCADHN CCOC[C@@H](O)CN1CCCO[C@H](C)C1 ZINC000068951125 385237879 /nfs/dbraw/zinc/23/78/79/385237879.db2.gz NFELWJAYAVTQRR-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN COC(=O)[C@@]1(C)CCN(Cc2cnn(C)c2)C1 ZINC000177422461 385239059 /nfs/dbraw/zinc/23/90/59/385239059.db2.gz MCSLRHIZVYHIBX-LBPRGKRZSA-N 0 3 237.303 0.805 20 0 BCADHN Cc1cc(CN2CC[C@@H]3CN(C)C[C@@H]32)nn1C ZINC000644729802 385241903 /nfs/dbraw/zinc/24/19/03/385241903.db2.gz HDGCAASHWPUVPV-YPMHNXCESA-N 0 3 234.347 0.864 20 0 BCADHN CC(C)CCN1CCCN(S(N)(=O)=O)CC1 ZINC000363510601 385242086 /nfs/dbraw/zinc/24/20/86/385242086.db2.gz AHXCKDXVUGJCLA-UHFFFAOYSA-N 0 3 249.380 0.244 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)N[C@@H](C)CN(C)C ZINC000358495592 385245899 /nfs/dbraw/zinc/24/58/99/385245899.db2.gz ILQZCOGJGOFUKW-QWRGUYRKSA-N 0 3 245.367 0.643 20 0 BCADHN C[C@H](N)C(=O)NCCCNc1ccccc1 ZINC000166480537 385247284 /nfs/dbraw/zinc/24/72/84/385247284.db2.gz NGKCIBAJUCDSRR-JTQLQIEISA-N 0 3 221.304 0.952 20 0 BCADHN C[C@@H](C(=O)NC[C@H]1CNCCO1)c1cccnc1 ZINC000647086607 385249574 /nfs/dbraw/zinc/24/95/74/385249574.db2.gz LGTVYFRMFKWALS-ZYHUDNBSSA-N 0 3 249.314 0.290 20 0 BCADHN C[C@H](N)C(=O)NCCN1c2ccccc2C[C@H]1C ZINC000166521104 385250628 /nfs/dbraw/zinc/25/06/28/385250628.db2.gz CDXHWMRSKGDSQY-MNOVXSKESA-N 0 3 247.342 0.901 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CCN(c2cccnc2)C1 ZINC000364262080 385302544 /nfs/dbraw/zinc/30/25/44/385302544.db2.gz WDBFUNYXSAZXRE-ZJUUUORDSA-N 0 3 234.303 0.124 20 0 BCADHN C[C@@H]1OCC[C@]1(O)CNCc1cncn1C ZINC000227978118 385302875 /nfs/dbraw/zinc/30/28/75/385302875.db2.gz XHODJZGYPWTYOL-ONGXEEELSA-N 0 3 225.292 0.050 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1CCN(c2cccnc2)C1 ZINC000364262074 385302998 /nfs/dbraw/zinc/30/29/98/385302998.db2.gz WDBFUNYXSAZXRE-NXEZZACHSA-N 0 3 234.303 0.124 20 0 BCADHN COC[C@H](C)[NH2+]Cc1cnc(C)[n-]c1=O ZINC000308935480 385304173 /nfs/dbraw/zinc/30/41/73/385304173.db2.gz KSENSSPLLQFDQE-ZETCQYMHSA-N 0 3 211.265 0.615 20 0 BCADHN CC[C@@H](N)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000037801638 385310576 /nfs/dbraw/zinc/31/05/76/385310576.db2.gz LTFZBZYTDLGOSM-MRVPVSSYSA-N 0 3 229.324 0.097 20 0 BCADHN Cc1[nH]nc(C(=O)N2C[C@@H](C)NC[C@H]2C)c1C ZINC000272553453 385318036 /nfs/dbraw/zinc/31/80/36/385318036.db2.gz KYPVRFVDZAGFPJ-HTQZYQBOSA-N 0 3 236.319 0.849 20 0 BCADHN Cc1nn(C)cc1CN1C[C@@H](C)[C@H](CO)C1 ZINC000191720083 385318376 /nfs/dbraw/zinc/31/83/76/385318376.db2.gz UEOFJDSZEQGOMB-SKDRFNHKSA-N 0 3 223.320 0.789 20 0 BCADHN CCN(CC1CC1)[C@@H](C)C(=O)NC(N)=O ZINC000157970589 385319813 /nfs/dbraw/zinc/31/98/13/385319813.db2.gz BIESTBONOOTYJB-ZETCQYMHSA-N 0 3 213.281 0.302 20 0 BCADHN O=C(c1noc2c1CCCC2)N1CCCNCC1 ZINC000269137963 385259913 /nfs/dbraw/zinc/25/99/13/385259913.db2.gz SFWBOODFGRMFMG-UHFFFAOYSA-N 0 3 249.314 0.989 20 0 BCADHN C[C@H](O)CN(Cc1ccccn1)[C@@H](C)CO ZINC000190843758 385263298 /nfs/dbraw/zinc/26/32/98/385263298.db2.gz VRMGTMYYYUMRIG-QWRGUYRKSA-N 0 3 224.304 0.645 20 0 BCADHN C[C@H](Cn1cccn1)N[C@@H](CO)[C@@H]1CCCO1 ZINC000448274229 385264907 /nfs/dbraw/zinc/26/49/07/385264907.db2.gz XOKJJJQTALUAFJ-WOPDTQHZSA-N 0 3 239.319 0.401 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000019504388 385266398 /nfs/dbraw/zinc/26/63/98/385266398.db2.gz AYMDNTIHMICLTC-KXUCPTDWSA-N 0 3 214.309 0.606 20 0 BCADHN CSC[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000157741292 385270093 /nfs/dbraw/zinc/27/00/93/385270093.db2.gz GZRYUQGZRHBANO-YUMQZZPRSA-N 0 3 204.339 0.837 20 0 BCADHN CN(C)C/C=C\C(=O)NCCc1ccncc1 ZINC000492142514 385271918 /nfs/dbraw/zinc/27/19/18/385271918.db2.gz VIKRJQWZMCLWTP-ARJAWSKDSA-N 0 3 233.315 0.858 20 0 BCADHN CC(C)[C@@H](O)CN1CCC[C@@](F)(CO)C1 ZINC000368639604 385272507 /nfs/dbraw/zinc/27/25/07/385272507.db2.gz WLQZBOIJCDXXMZ-QWRGUYRKSA-N 0 3 219.300 0.800 20 0 BCADHN COC(=O)c1cc(CN(C)C[C@@H](C)O)c[nH]1 ZINC000130659583 385274435 /nfs/dbraw/zinc/27/44/35/385274435.db2.gz DSZSZPJNVHVXMK-MRVPVSSYSA-N 0 3 226.276 0.614 20 0 BCADHN Cc1cnn(CCN(C)CC[C@H](C)O)c1 ZINC000308903362 385276523 /nfs/dbraw/zinc/27/65/23/385276523.db2.gz CQSHJHPAVACAIM-NSHDSACASA-N 0 3 211.309 0.894 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@H](O)CC1 ZINC000336364959 385279637 /nfs/dbraw/zinc/27/96/37/385279637.db2.gz KNQWMICDCOMYHW-KOLCDFICSA-N 0 3 226.320 0.500 20 0 BCADHN O=C1CCN(C[C@H]2CCC=CO2)CCN1 ZINC000191075042 385281444 /nfs/dbraw/zinc/28/14/44/385281444.db2.gz IMFARZGRPIRAFZ-SNVBAGLBSA-N 0 3 210.277 0.501 20 0 BCADHN COC[C@H](CO)N[C@H](COC)CC(C)C ZINC000308915838 385281499 /nfs/dbraw/zinc/28/14/99/385281499.db2.gz FWGAQJAVVALQTR-QWRGUYRKSA-N 0 3 219.325 0.644 20 0 BCADHN C[C@H](C(=O)NC1(CO)CC1)N1CCCCCC1 ZINC000407980427 385285831 /nfs/dbraw/zinc/28/58/31/385285831.db2.gz ISJFZXSBORPQKX-LLVKDONJSA-N 0 3 240.347 0.892 20 0 BCADHN CC(C(=O)N[C@@H]1CC12CC2)S(C)(=O)=O ZINC000424995358 385285980 /nfs/dbraw/zinc/28/59/80/385285980.db2.gz ZCDCCVFAAYXJKG-NKWVEPMBSA-N 0 3 217.290 0.088 20 0 BCADHN C[C@H](NCCC(N)=O)c1ccc2c(c1)OCO2 ZINC000030535807 385294830 /nfs/dbraw/zinc/29/48/30/385294830.db2.gz DKYLDOOALNNJRE-QMMMGPOBSA-N 0 3 236.271 0.941 20 0 BCADHN Cc1nn(C)cc1CNC[C@@]1(O)CCO[C@@H]1C ZINC000227969866 385299100 /nfs/dbraw/zinc/29/91/00/385299100.db2.gz ZEEIISQHVNDPIE-PWSUYJOCSA-N 0 3 239.319 0.358 20 0 BCADHN CN1CCC(CC(=O)NCc2cc[nH]n2)CC1 ZINC000643939022 385300325 /nfs/dbraw/zinc/30/03/25/385300325.db2.gz FJNXIYYMWCIROB-UHFFFAOYSA-N 0 3 236.319 0.758 20 0 BCADHN CCN(CCO)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000364292668 385331659 /nfs/dbraw/zinc/33/16/59/385331659.db2.gz WBVBEAMXKQFHRQ-TXEJJXNPSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@@H](NC(=O)N[C@@H](C)CN(C)C)[C@H](C)CO ZINC000497725864 385332223 /nfs/dbraw/zinc/33/22/23/385332223.db2.gz PQGSUXPMDNJNFG-KXUCPTDWSA-N 0 3 231.340 0.253 20 0 BCADHN C[C@@H](N[C@@H]1CCSC1)c1ccc(=O)[nH]n1 ZINC000308998743 385332689 /nfs/dbraw/zinc/33/26/89/385332689.db2.gz NKBVLGQLYZHUOU-HTQZYQBOSA-N 0 3 225.317 0.926 20 0 BCADHN C[C@@H](CO)[C@@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000497725865 385332804 /nfs/dbraw/zinc/33/28/04/385332804.db2.gz PQGSUXPMDNJNFG-LPEHRKFASA-N 0 3 231.340 0.253 20 0 BCADHN CS[C@H](C)CNC(=O)C(C)S(C)(=O)=O ZINC000131413211 385333429 /nfs/dbraw/zinc/33/34/29/385333429.db2.gz BVXSSVIIGBQRAV-RQJHMYQMSA-N 0 3 239.362 0.287 20 0 BCADHN Cc1noc([C@@H]2CCN(C[C@@H](C)O)C2)n1 ZINC000407994322 385333875 /nfs/dbraw/zinc/33/38/75/385333875.db2.gz BYAFLXILTXNODZ-VXNVDRBHSA-N 0 3 211.265 0.548 20 0 BCADHN CC(C)(C)OCCN(CCO)CCCO ZINC000109797882 385336011 /nfs/dbraw/zinc/33/60/11/385336011.db2.gz AJVLSXZMDQCUCF-UHFFFAOYSA-N 0 3 219.325 0.478 20 0 BCADHN C[C@@H](N[C@H]1CCCSC1)C(=O)NCCF ZINC000308995604 385338624 /nfs/dbraw/zinc/33/86/24/385338624.db2.gz MMADXOQJFGEGSV-BDAKNGLRSA-N 0 3 234.340 0.946 20 0 BCADHN Cc1cc(NC(=O)[C@H]2NCC2(C)C)c(=O)n(C)c1 ZINC000643976020 385339586 /nfs/dbraw/zinc/33/95/86/385339586.db2.gz ZPXXBVXWBUHWMH-SNVBAGLBSA-N 0 3 249.314 0.630 20 0 BCADHN C[C@H](C[C@H]1CCOC1)NC(=O)[C@@H]1NCC1(C)C ZINC000643979116 385341642 /nfs/dbraw/zinc/34/16/42/385341642.db2.gz GFSXSLKBNJVPHG-MXWKQRLJSA-N 0 3 240.347 0.916 20 0 BCADHN COc1ccc(CNC[C@@H]2COCCO2)cn1 ZINC000158094663 385342790 /nfs/dbraw/zinc/34/27/90/385342790.db2.gz CCDFJOOGKVFWEE-LLVKDONJSA-N 0 3 238.287 0.595 20 0 BCADHN COC(C)(C)CN(C)C(=O)[C@H]1NCC1(C)C ZINC000643978289 385344091 /nfs/dbraw/zinc/34/40/91/385344091.db2.gz WUIJXXVOMYFFTD-SECBINFHSA-N 0 3 228.336 0.868 20 0 BCADHN COC(C)(C)CN(C)C(=O)[C@@H]1NCC1(C)C ZINC000643978290 385344398 /nfs/dbraw/zinc/34/43/98/385344398.db2.gz WUIJXXVOMYFFTD-VIFPVBQESA-N 0 3 228.336 0.868 20 0 BCADHN CN1C[C@H]2CCN(Cc3ncccn3)[C@H]2C1 ZINC000644733493 385347896 /nfs/dbraw/zinc/34/78/96/385347896.db2.gz MEPHIQPJPKHGCX-MNOVXSKESA-N 0 3 218.304 0.613 20 0 BCADHN Cc1nc(CN2CC[C@H]3CN(C)C[C@H]32)no1 ZINC000644733454 385350476 /nfs/dbraw/zinc/35/04/76/385350476.db2.gz JCBGZPLRTNGPGX-VHSXEESVSA-N 0 3 222.292 0.514 20 0 BCADHN C[C@@H](C(=O)N1CCNCC1)[C@@H](N)c1ccccc1 ZINC000131665588 385350718 /nfs/dbraw/zinc/35/07/18/385350718.db2.gz YPWKSPOXLZSHKL-DGCLKSJQSA-N 0 3 247.342 0.754 20 0 BCADHN CN1C[C@@H]2CCN(Cc3c[nH]cn3)[C@@H]2C1 ZINC000644733716 385353461 /nfs/dbraw/zinc/35/34/61/385353461.db2.gz LHLXMPGXAYPOBS-GXSJLCMTSA-N 0 3 206.293 0.546 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2CC(=O)NC(C)(C)C)C1 ZINC000644734224 385354774 /nfs/dbraw/zinc/35/47/74/385354774.db2.gz MWFSSYSLIFCPJP-QWRGUYRKSA-N 0 3 239.363 0.537 20 0 BCADHN C[C@H](NCC1(CO)COC1)c1ccco1 ZINC000309000261 385361062 /nfs/dbraw/zinc/36/10/62/385361062.db2.gz NWGDYQIAFIAJMU-VIFPVBQESA-N 0 3 211.261 0.939 20 0 BCADHN Cc1cc(=O)[nH]c(C(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000408002599 385362185 /nfs/dbraw/zinc/36/21/85/385362185.db2.gz FGUKJTJLJMMIGI-SNVBAGLBSA-N 0 3 249.314 0.872 20 0 BCADHN CO[C@H](C)CN(C(=O)[C@H](C)N)C(C)C ZINC000309024791 385367383 /nfs/dbraw/zinc/36/73/83/385367383.db2.gz ZHFOCIJJSQTEQE-BDAKNGLRSA-N 0 3 202.298 0.606 20 0 BCADHN Cc1c(/C=C/C(=O)NCCN(C)C)cnn1C ZINC000155031530 385368981 /nfs/dbraw/zinc/36/89/81/385368981.db2.gz LOGOJMZLZCMXMP-AATRIKPKSA-N 0 3 236.319 0.420 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000155019006 385369660 /nfs/dbraw/zinc/36/96/60/385369660.db2.gz WMBOTUQVNSVVTM-SNVBAGLBSA-N 0 3 249.314 0.793 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000155019006 385369665 /nfs/dbraw/zinc/36/96/65/385369665.db2.gz WMBOTUQVNSVVTM-SNVBAGLBSA-N 0 3 249.314 0.793 20 0 BCADHN Cc1noc(C)c1CNCCN1CCOCC1 ZINC000020253058 385370237 /nfs/dbraw/zinc/37/02/37/385370237.db2.gz QAHHIHXZENHWPZ-UHFFFAOYSA-N 0 3 239.319 0.713 20 0 BCADHN Cc1cnc(CN[C@H](C)[C@@H](C)CO)n1C ZINC000309016503 385371426 /nfs/dbraw/zinc/37/14/26/385371426.db2.gz UOXCYZIFNRPQHA-WCBMZHEXSA-N 0 3 211.309 0.835 20 0 BCADHN CC(C)OCCCNC(=O)[C@@H]1NCC1(C)C ZINC000644008371 385372160 /nfs/dbraw/zinc/37/21/60/385372160.db2.gz OOLYWUSMPCBELW-JTQLQIEISA-N 0 3 228.336 0.916 20 0 BCADHN C[C@]1(O)CCN(C[C@H](O)CC(F)(F)F)C1 ZINC000307984260 385373044 /nfs/dbraw/zinc/37/30/44/385373044.db2.gz RITXQJKHHJCNLA-SFYZADRCSA-N 0 3 227.226 0.756 20 0 BCADHN COC(C)(C)CNC(=O)[C@H](N)CC(F)F ZINC000309036822 385374996 /nfs/dbraw/zinc/37/49/96/385374996.db2.gz GSAUTVQBYQVGDS-ZCFIWIBFSA-N 0 3 224.251 0.510 20 0 BCADHN COC(=O)C[C@H]1CSCCN1C[C@H](C)O ZINC000192990838 385381780 /nfs/dbraw/zinc/38/17/80/385381780.db2.gz MSGINHRWEBYLJJ-IUCAKERBSA-N 0 3 233.333 0.348 20 0 BCADHN C[C@@H](O)CN[C@H](CO)c1cccc(F)c1 ZINC000309063989 385390845 /nfs/dbraw/zinc/39/08/45/385390845.db2.gz YINPCLFFVIKXLE-LDYMZIIASA-N 0 3 213.252 0.830 20 0 BCADHN CCOc1cccc(CCNC(=O)CNC)c1 ZINC000193135107 385384323 /nfs/dbraw/zinc/38/43/23/385384323.db2.gz JBEPYCFAFYVQSU-UHFFFAOYSA-N 0 3 236.315 0.963 20 0 BCADHN CN1CCC(CC(=O)NCC2(CO)CC2)CC1 ZINC000644022297 385384520 /nfs/dbraw/zinc/38/45/20/385384520.db2.gz TWWDWXLMRUJNFO-UHFFFAOYSA-N 0 3 240.347 0.607 20 0 BCADHN CCSCCN1CCC[C@@](O)(C(N)=O)C1 ZINC000309042082 385388020 /nfs/dbraw/zinc/38/80/20/385388020.db2.gz KQGVOBSURMOQHN-JTQLQIEISA-N 0 3 232.349 0.052 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](C)N1CCc2ccccc21 ZINC000165399470 385388474 /nfs/dbraw/zinc/38/84/74/385388474.db2.gz PERMRTTZZPLEDM-GHMZBOCLSA-N 0 3 247.342 0.901 20 0 BCADHN CC1(C)C[C@@H](N[C@@H]2COC[C@H]2O)C(C)(C)O1 ZINC000323353625 385326715 /nfs/dbraw/zinc/32/67/15/385326715.db2.gz AIDQUDQHPAEZSY-OPRDCNLKSA-N 0 3 229.320 0.682 20 0 BCADHN CCN(C)C(=O)CN[C@@](C)(CO)C(C)C ZINC000308971904 385328074 /nfs/dbraw/zinc/32/80/74/385328074.db2.gz ADIIZXRCCQTSLO-NSHDSACASA-N 0 3 216.325 0.461 20 0 BCADHN CC1(C)CNCCN1C(=O)Cc1cncs1 ZINC000644075224 385424220 /nfs/dbraw/zinc/42/42/20/385424220.db2.gz YRYCQFMMCUITDA-UHFFFAOYSA-N 0 3 239.344 0.896 20 0 BCADHN CCC(=O)N[C@@H](C)C(=O)N1CCNCC1(C)C ZINC000644075743 385424607 /nfs/dbraw/zinc/42/46/07/385424607.db2.gz JINWUNWPIVGMNG-VIFPVBQESA-N 0 3 241.335 0.112 20 0 BCADHN COCC1(NC(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000644034856 385391570 /nfs/dbraw/zinc/39/15/70/385391570.db2.gz ABBDHGLINNKAPZ-MRVPVSSYSA-N 0 3 248.273 0.526 20 0 BCADHN CC[C@H](COC)NCC(=O)NCC(F)F ZINC000309065776 385392880 /nfs/dbraw/zinc/39/28/80/385392880.db2.gz ZGYMTESRYHICOI-SSDOTTSWSA-N 0 3 224.251 0.382 20 0 BCADHN CCN(C)C(=O)CNCc1[nH]ncc1C ZINC000309057746 385393731 /nfs/dbraw/zinc/39/37/31/385393731.db2.gz VDXJHADQUDMVBU-UHFFFAOYSA-N 0 3 210.281 0.286 20 0 BCADHN Cc1noc(C)c1CNC(=O)[C@@H]1NCC1(C)C ZINC000644048313 385397261 /nfs/dbraw/zinc/39/72/61/385397261.db2.gz MXXGIUXNTBBTTF-JTQLQIEISA-N 0 3 237.303 0.906 20 0 BCADHN Cc1noc(C)c1CNC(=O)[C@H]1NCC1(C)C ZINC000644048314 385397332 /nfs/dbraw/zinc/39/73/32/385397332.db2.gz MXXGIUXNTBBTTF-SNVBAGLBSA-N 0 3 237.303 0.906 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CC)CO)N(C)C ZINC000180888858 385397872 /nfs/dbraw/zinc/39/78/72/385397872.db2.gz STCWVJKSBDODAT-DTWKUNHWSA-N 0 3 202.298 0.214 20 0 BCADHN O=C(NCC(F)(F)F)[C@@H]1CNCCC1(F)F ZINC000644052235 385398607 /nfs/dbraw/zinc/39/86/07/385398607.db2.gz VJJYEVRRINNWHP-YFKPBYRVSA-N 0 3 246.179 0.910 20 0 BCADHN COC(=O)[C@H]1CC[C@@H](NCc2cncnc2)C1 ZINC000193502270 385399068 /nfs/dbraw/zinc/39/90/68/385399068.db2.gz PHHRWDAXLMIRTJ-WDEREUQCSA-N 0 3 235.287 0.908 20 0 BCADHN Cc1cc(CNC(=O)[C@H]2NCC2(C)C)on1 ZINC000644053872 385404759 /nfs/dbraw/zinc/40/47/59/385404759.db2.gz ZINDLHPFYVVSLK-SECBINFHSA-N 0 3 223.276 0.597 20 0 BCADHN Cc1nnsc1CN[C@@H]1CN(C)C[C@@H]1C ZINC000309107022 385425890 /nfs/dbraw/zinc/42/58/90/385425890.db2.gz IHRKHHNVHLNJAX-IONNQARKSA-N 0 3 226.349 0.886 20 0 BCADHN COC[C@](C)(CCO)NC[C@H](O)C(F)(F)F ZINC000181739676 385413311 /nfs/dbraw/zinc/41/33/11/385413311.db2.gz STROIUMXXSBBOR-YUMQZZPRSA-N 0 3 245.241 0.287 20 0 BCADHN C[C@H](N)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000178751509 385417102 /nfs/dbraw/zinc/41/71/02/385417102.db2.gz DSWHREJFFNOXQA-VIFPVBQESA-N 0 3 245.286 0.612 20 0 BCADHN Cc1ncc(C(=O)N2CCNCC2(C)C)c(C)n1 ZINC000644074804 385422568 /nfs/dbraw/zinc/42/25/68/385422568.db2.gz CZMJIVARFOVKJQ-UHFFFAOYSA-N 0 3 248.330 0.917 20 0 BCADHN CCCCN(CC(N)=O)C(=O)[C@@H]1NCC1(C)C ZINC000644078161 385422813 /nfs/dbraw/zinc/42/28/13/385422813.db2.gz DDVKHZXRJZHUHD-JTQLQIEISA-N 0 3 241.335 0.098 20 0 BCADHN CN1CCC[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000590104038 385423496 /nfs/dbraw/zinc/42/34/96/385423496.db2.gz GJUXRMSQXSDQJB-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@H](N[C@@H]1CCN(C)C1=O)[C@@H]1CCCO1 ZINC000182331759 385438250 /nfs/dbraw/zinc/43/82/50/385438250.db2.gz QHZPJQNWJZFDTJ-AXFHLTTASA-N 0 3 226.320 0.764 20 0 BCADHN CO[C@@H](C)CNC1(C(N)=O)CCCCC1 ZINC000182347221 385439216 /nfs/dbraw/zinc/43/92/16/385439216.db2.gz POAIQDWMCLCEBB-VIFPVBQESA-N 0 3 214.309 0.799 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1CC12CC2)N(C)C ZINC000425579987 385443258 /nfs/dbraw/zinc/44/32/58/385443258.db2.gz BXBXMFKBXSUEMB-DTWKUNHWSA-N 0 3 211.309 0.788 20 0 BCADHN Cc1cn2c(n1)CC[C@H](NC1COC1)C2 ZINC000309170888 385448963 /nfs/dbraw/zinc/44/89/63/385448963.db2.gz LHEIKZMOPFBHDN-VIFPVBQESA-N 0 3 207.277 0.495 20 0 BCADHN c1ncn(C[C@H]2CCCN(Cc3cnc[nH]3)C2)n1 ZINC000179224875 385452641 /nfs/dbraw/zinc/45/26/41/385452641.db2.gz OVFYJLFJYPPMHF-NSHDSACASA-N 0 3 246.318 0.913 20 0 BCADHN Cc1nc(CNC(=O)[C@H](C(C)C)N(C)C)no1 ZINC000156468651 385453214 /nfs/dbraw/zinc/45/32/14/385453214.db2.gz SJHZNSXIWWGBKF-JTQLQIEISA-N 0 3 240.307 0.580 20 0 BCADHN CCC[C@H](N)C(=O)NCc1csc(=O)[nH]1 ZINC000182515163 385453199 /nfs/dbraw/zinc/45/31/99/385453199.db2.gz OLYNRNUXYUKBQI-ZETCQYMHSA-N 0 3 229.305 0.180 20 0 BCADHN Cc1[nH]ncc1CN1CCOC[C@@]12CCOC2 ZINC000195013121 385456516 /nfs/dbraw/zinc/45/65/16/385456516.db2.gz XGNVJMDXMLBPEZ-LBPRGKRZSA-N 0 3 237.303 0.709 20 0 BCADHN C[C@@H](O)C(=O)NCCN(C)Cc1ccccc1 ZINC000156048626 385432673 /nfs/dbraw/zinc/43/26/73/385432673.db2.gz NRLKWIIFOPPCBY-LLVKDONJSA-N 0 3 236.315 0.615 20 0 BCADHN CC[C@H](N[C@@H]1CCNC1=O)[C@@H]1CCCO1 ZINC000182278451 385435439 /nfs/dbraw/zinc/43/54/39/385435439.db2.gz ANUSKXWDJAHWSF-AEJSXWLSSA-N 0 3 212.293 0.422 20 0 BCADHN Cn1nnc2cc(CN3CC[C@@H](O)C3)ccc21 ZINC000408062179 385437616 /nfs/dbraw/zinc/43/76/16/385437616.db2.gz NYWOPAUVMVISAQ-SNVBAGLBSA-N 0 3 232.287 0.535 20 0 BCADHN CC(C)N(C)CC(=O)N1CCO[C@H](C)C1 ZINC000195306191 385466619 /nfs/dbraw/zinc/46/66/19/385466619.db2.gz FSEGXURZPLNGHG-SNVBAGLBSA-N 0 3 214.309 0.574 20 0 BCADHN C[C@@H](CC(=O)N(C)C)NC[C@H](O)C(F)F ZINC000336771005 385473348 /nfs/dbraw/zinc/47/33/48/385473348.db2.gz XGGOYIXWLLWJFE-BQBZGAKWSA-N 0 3 224.251 0.069 20 0 BCADHN CO[C@H]1CCCN(C[C@H](O)Cn2cccn2)C1 ZINC000171205915 385473367 /nfs/dbraw/zinc/47/33/67/385473367.db2.gz WZTBKAOZTKAHPV-RYUDHWBXSA-N 0 3 239.319 0.355 20 0 BCADHN Cc1nn(C)c(NC(=O)[C@@H]2NCC2(C)C)c1C ZINC000644099848 385473398 /nfs/dbraw/zinc/47/33/98/385473398.db2.gz KTECSMPTNGDBGJ-VIFPVBQESA-N 0 3 236.319 0.973 20 0 BCADHN CCC[C@H](O)CN[C@@H](C)CS(=O)(=O)CC ZINC000162257351 385477469 /nfs/dbraw/zinc/47/74/69/385477469.db2.gz OVSCYUFDYASNDQ-UWVGGRQHSA-N 0 3 237.365 0.560 20 0 BCADHN CN(C)CC(=O)NCc1ccccc1CN(C)C ZINC000171353818 385479679 /nfs/dbraw/zinc/47/96/79/385479679.db2.gz FNXURBLVHPVBGJ-UHFFFAOYSA-N 0 3 249.358 0.926 20 0 BCADHN CCC[C@H](N)C(=O)NCCCn1cccn1 ZINC000157007047 385480461 /nfs/dbraw/zinc/48/04/61/385480461.db2.gz ZDPMQDLNTIKOME-JTQLQIEISA-N 0 3 224.308 0.517 20 0 BCADHN C[C@@H]1OCCN(C(=O)[C@H]2NCC2(C)C)[C@H]1C ZINC000644105278 385481602 /nfs/dbraw/zinc/48/16/02/385481602.db2.gz HPMRPJYLALRVDG-LPEHRKFASA-N 0 3 226.320 0.620 20 0 BCADHN C[C@H](N)C(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000156606461 385460162 /nfs/dbraw/zinc/46/01/62/385460162.db2.gz UPCICLRNEMPBQQ-GXSJLCMTSA-N 0 3 247.298 0.033 20 0 BCADHN COc1ccc([C@H](O)CNC(=O)[C@H](C)N)cc1 ZINC000195172625 385461812 /nfs/dbraw/zinc/46/18/12/385461812.db2.gz GAGYIRODMLOXPS-GZMMTYOYSA-N 0 3 238.287 0.192 20 0 BCADHN C[C@H](N)C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000195170510 385462413 /nfs/dbraw/zinc/46/24/13/385462413.db2.gz RNOFSHCXLSBGOU-NWDGAFQWSA-N 0 3 247.342 0.976 20 0 BCADHN Cc1ccoc1CN1CC[C@@H](C(N)=O)C1 ZINC000157185299 385491312 /nfs/dbraw/zinc/49/13/12/385491312.db2.gz MDURXWZEADGPKO-SECBINFHSA-N 0 3 208.261 0.895 20 0 BCADHN CC[C@@H](C)CN(C)CCNS(C)(=O)=O ZINC000111253572 385499215 /nfs/dbraw/zinc/49/92/15/385499215.db2.gz DAGNUMYFUFRZQM-SECBINFHSA-N 0 3 222.354 0.514 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)CNc1ccccc1 ZINC000157419686 385501531 /nfs/dbraw/zinc/50/15/31/385501531.db2.gz JCIRFTIFXSIGCY-NXEZZACHSA-N 0 3 221.304 0.950 20 0 BCADHN CN(C)C[C@@H]1CN(Cc2cnn(C)c2)CCO1 ZINC000171635990 385503589 /nfs/dbraw/zinc/50/35/89/385503589.db2.gz GGDCSPMQPAESQI-GFCCVEGCSA-N 0 3 238.335 0.183 20 0 BCADHN CCCCN(CCOC)[C@@H](C)C(N)=O ZINC000106312718 385504295 /nfs/dbraw/zinc/50/42/95/385504295.db2.gz LPGUNSRTJWWBBO-VIFPVBQESA-N 0 3 202.298 0.609 20 0 BCADHN CC(C)C[C@H](N)C(=O)Nc1cccn(C)c1=O ZINC000157584862 385509522 /nfs/dbraw/zinc/50/95/22/385509522.db2.gz KAEGVAOOZGCYHX-VIFPVBQESA-N 0 3 237.303 0.697 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@@H]1CCOC1)N(C)C ZINC000106433856 385511575 /nfs/dbraw/zinc/51/15/75/385511575.db2.gz JYGBNFBQWRQIQK-WDEREUQCSA-N 0 3 228.336 0.725 20 0 BCADHN Cc1[nH]nc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1C ZINC000644811405 385514706 /nfs/dbraw/zinc/51/47/06/385514706.db2.gz AMZKEVYRAFCZLT-GHMZBOCLSA-N 0 3 248.330 0.803 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCN(C)CC1 ZINC000257706928 385489622 /nfs/dbraw/zinc/48/96/22/385489622.db2.gz QGKKFELOMALKMF-NSHDSACASA-N 0 3 227.352 0.524 20 0 BCADHN CN(C)CCNC(=O)Nc1cnn(C)c1 ZINC000180614602 385531980 /nfs/dbraw/zinc/53/19/80/385531980.db2.gz FHDIHCLZXPGXFX-UHFFFAOYSA-N 0 3 211.269 0.103 20 0 BCADHN CC(C)[C@H](O)CNCc1cc(C(N)=O)cs1 ZINC000157880124 385532507 /nfs/dbraw/zinc/53/25/07/385532507.db2.gz ZFJBOJKYFDGLPQ-SNVBAGLBSA-N 0 3 242.344 0.954 20 0 BCADHN CC(C)[C@@H](O)CNCc1cc(C(N)=O)cs1 ZINC000157880273 385532753 /nfs/dbraw/zinc/53/27/53/385532753.db2.gz ZFJBOJKYFDGLPQ-JTQLQIEISA-N 0 3 242.344 0.954 20 0 BCADHN C[C@@H](CO)[C@H](C)NCc1cc(C(N)=O)cs1 ZINC000157881702 385533262 /nfs/dbraw/zinc/53/32/62/385533262.db2.gz ARCVQLARYFTALE-YUMQZZPRSA-N 0 3 242.344 0.954 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccncc3F)[C@@H]2C1 ZINC000644812784 385533720 /nfs/dbraw/zinc/53/37/20/385533720.db2.gz FECGCEXMGDUCIB-BXKDBHETSA-N 0 3 249.289 0.997 20 0 BCADHN CCn1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cn1 ZINC000644812708 385534688 /nfs/dbraw/zinc/53/46/88/385534688.db2.gz FGYWJKKTKRKWJH-JQWIXIFHSA-N 0 3 248.330 0.679 20 0 BCADHN COC(=O)COC[C@H](C)NCc1ccoc1 ZINC000296412598 385535387 /nfs/dbraw/zinc/53/53/87/385535387.db2.gz MBANVFWSEPGKRC-VIFPVBQESA-N 0 3 227.260 0.947 20 0 BCADHN C[C@@H](O)[C@@H]1CCCCN1CC(=O)NC1CC1 ZINC000106865996 385535685 /nfs/dbraw/zinc/53/56/85/385535685.db2.gz NWJWRGHOYZHCOT-KOLCDFICSA-N 0 3 226.320 0.500 20 0 BCADHN Cc1cnc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cn1 ZINC000644813107 385539550 /nfs/dbraw/zinc/53/95/50/385539550.db2.gz FPGRTYBTJTVSAZ-JQWIXIFHSA-N 0 3 246.314 0.561 20 0 BCADHN COc1cc(C)cc(CNC(=O)[C@H](C)N)c1 ZINC000157940474 385539911 /nfs/dbraw/zinc/53/99/11/385539911.db2.gz KUJBSWZQPGXLMD-VIFPVBQESA-N 0 3 222.288 0.967 20 0 BCADHN CN(c1ncnc2c1ncn2C1CC1)C1CNC1 ZINC000643041900 385547516 /nfs/dbraw/zinc/54/75/16/385547516.db2.gz PCMVOMFXXIRBDI-UHFFFAOYSA-N 0 3 244.302 0.569 20 0 BCADHN CSCCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000364956120 385547515 /nfs/dbraw/zinc/54/75/15/385547515.db2.gz RUSFIWKIEQATGQ-IVZWLZJFSA-N 0 3 228.361 0.935 20 0 BCADHN CCOCCN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000364957804 385547749 /nfs/dbraw/zinc/54/77/49/385547749.db2.gz VZTBIXVBMIARSB-AXFHLTTASA-N 0 3 226.320 0.609 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@@H]21)n1cncn1 ZINC000644811755 385518507 /nfs/dbraw/zinc/51/85/07/385518507.db2.gz CAMGCCHISSRRDC-MXWKQRLJSA-N 0 3 249.318 0.002 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644811931 385519635 /nfs/dbraw/zinc/51/96/35/385519635.db2.gz BKXOETCMYMKUHD-FIQHERPVSA-N 0 3 238.331 0.574 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000644139121 385520370 /nfs/dbraw/zinc/52/03/70/385520370.db2.gz GLQYZVOIWJLEFD-QMMMGPOBSA-N 0 3 247.298 0.753 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644812050 385521952 /nfs/dbraw/zinc/52/19/52/385521952.db2.gz BZJUKRYRSLQNJH-UTLUCORTSA-N 0 3 212.293 0.184 20 0 BCADHN CN1CCC(NC(=O)Nc2ccon2)CC1 ZINC000180495233 385525651 /nfs/dbraw/zinc/52/56/51/385525651.db2.gz GAGWGJBXMNHGSQ-UHFFFAOYSA-N 0 3 224.264 0.890 20 0 BCADHN CCOCC1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC1 ZINC000644142430 385526353 /nfs/dbraw/zinc/52/63/53/385526353.db2.gz SOEHIGABPDICOH-UWVGGRQHSA-N 0 3 244.310 0.619 20 0 BCADHN C[C@H](CC(=O)N(C)C)N[C@H](CO)CC(F)F ZINC000309315886 385527565 /nfs/dbraw/zinc/52/75/65/385527565.db2.gz CZNOIKAYQSPKDZ-SFYZADRCSA-N 0 3 238.278 0.459 20 0 BCADHN CN(CCOCCO)C[C@H](O)CC1CCCC1 ZINC000302473809 385528077 /nfs/dbraw/zinc/52/80/77/385528077.db2.gz XTBVFNDTVGBLOD-CYBMUJFWSA-N 0 3 245.363 0.868 20 0 BCADHN OCCCCN1CCC[C@@H](OCCO)C1 ZINC000172301653 385527989 /nfs/dbraw/zinc/52/79/89/385527989.db2.gz VLBKDCFAVYNSTA-LLVKDONJSA-N 0 3 217.309 0.232 20 0 BCADHN CN1C[C@H]2CCN(C(=O)CCn3cccn3)[C@@H]2C1 ZINC000644813887 385550528 /nfs/dbraw/zinc/55/05/28/385550528.db2.gz DKFGHJXMIXFGLH-VXGBXAGGSA-N 0 3 248.330 0.436 20 0 BCADHN CC(C)N(CC(=O)N1CCCC1)C[C@H](C)O ZINC000107050100 385551190 /nfs/dbraw/zinc/55/11/90/385551190.db2.gz XCOWTYAEVABOQB-NSHDSACASA-N 0 3 228.336 0.700 20 0 BCADHN CN(CC(=O)NCC1CC1)C[C@@H]1CCCOC1 ZINC000107688514 385576436 /nfs/dbraw/zinc/57/64/36/385576436.db2.gz RRRJFNLTSOSQCG-LBPRGKRZSA-N 0 3 240.347 0.871 20 0 BCADHN C[C@H](N)C(=O)NCc1ccc(Cl)cn1 ZINC000158212169 385553582 /nfs/dbraw/zinc/55/35/82/385553582.db2.gz KGKUCOVGYACPSI-LURJTMIESA-N 0 3 213.668 0.698 20 0 BCADHN CC[C@H]1CCCCN1CCNS(C)(=O)=O ZINC000107297357 385561218 /nfs/dbraw/zinc/56/12/18/385561218.db2.gz VTEBTQJLXKUMIP-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN O=C(C1=COCCC1)N1CCN2CCC1CC2 ZINC000365004537 385561872 /nfs/dbraw/zinc/56/18/72/385561872.db2.gz YBPANNFXYXYEFO-UHFFFAOYSA-N 0 3 236.315 0.987 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Cn3cccn3)[C@H]2C1 ZINC000644814974 385562033 /nfs/dbraw/zinc/56/20/33/385562033.db2.gz NKTQKKODRUPSAG-MNOVXSKESA-N 0 3 234.303 0.046 20 0 BCADHN Cc1cc(CC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)[nH]n1 ZINC000644815464 385569668 /nfs/dbraw/zinc/56/96/68/385569668.db2.gz PYOCXJYUSQQCCU-PWSUYJOCSA-N 0 3 248.330 0.423 20 0 BCADHN C[C@H](C(=O)N1CC[C@H]2CN(C)C[C@H]21)n1cccn1 ZINC000644815618 385570239 /nfs/dbraw/zinc/57/02/39/385570239.db2.gz RACSGSLKURUJHV-GRYCIOLGSA-N 0 3 248.330 0.607 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000408150736 385570496 /nfs/dbraw/zinc/57/04/96/385570496.db2.gz WYCJXMHFBJKWSM-MXWKQRLJSA-N 0 3 242.363 0.979 20 0 BCADHN CC[C@H](N)C(=O)N(C[C@H](C)OC)C(C)C ZINC000309402544 385571374 /nfs/dbraw/zinc/57/13/74/385571374.db2.gz HPQJXCSKIGJWIZ-UWVGGRQHSA-N 0 3 216.325 0.996 20 0 BCADHN CC[C@@H](C)N1CCC(O)(C(=O)OC)CC1 ZINC000337308552 385593615 /nfs/dbraw/zinc/59/36/15/385593615.db2.gz XYCPSDJNHOGEFH-SECBINFHSA-N 0 3 215.293 0.785 20 0 BCADHN CCN(CCOC)CCN1CCO[C@H](C)C1 ZINC000337332449 385601512 /nfs/dbraw/zinc/60/15/12/385601512.db2.gz JTJXEFBTONMFMM-GFCCVEGCSA-N 0 3 230.352 0.675 20 0 BCADHN Cc1nc(CN2CCC[C@H]2C[C@H](C)O)n[nH]1 ZINC000309430545 385579879 /nfs/dbraw/zinc/57/98/79/385579879.db2.gz ZDJDGAUCIIHUJL-WPRPVWTQSA-N 0 3 224.308 0.848 20 0 BCADHN Cc1nc(CN2CCC[C@@H]2C[C@H](C)O)n[nH]1 ZINC000309430542 385580509 /nfs/dbraw/zinc/58/05/09/385580509.db2.gz ZDJDGAUCIIHUJL-WCBMZHEXSA-N 0 3 224.308 0.848 20 0 BCADHN CC(C)CNC(=O)CN[C@@H]1COCC1(C)C ZINC000312985544 385581365 /nfs/dbraw/zinc/58/13/65/385581365.db2.gz ADUIHZBMWJYSJK-SNVBAGLBSA-N 0 3 228.336 0.773 20 0 BCADHN COC[C@H](N[C@@H]1CCO[C@@H]1C)[C@@H]1CCCO1 ZINC000309437482 385581613 /nfs/dbraw/zinc/58/16/13/385581613.db2.gz HQDRDXVAOVPZKO-WYUUTHIRSA-N 0 3 229.320 0.947 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cc[nH]c3)[C@@H]2C1 ZINC000644817155 385605713 /nfs/dbraw/zinc/60/57/13/385605713.db2.gz ZWKRYTGTKFHHDN-GHMZBOCLSA-N 0 3 219.288 0.791 20 0 BCADHN COC(=O)[C@H]1CCN(CCOC(C)C)C1 ZINC000107821052 385584869 /nfs/dbraw/zinc/58/48/69/385584869.db2.gz GQNKMEGKGKKPHJ-JTQLQIEISA-N 0 3 215.293 0.906 20 0 BCADHN C[C@@]1(CO)CCC[C@H]1NCC(=O)NC1CC1 ZINC000309450447 385585955 /nfs/dbraw/zinc/58/59/55/385585955.db2.gz MJKWKMXKHPMKPY-PWSUYJOCSA-N 0 3 226.320 0.406 20 0 BCADHN C[NH+](C)[C@H](CNC(=O)c1cncc([O-])c1)C1CC1 ZINC000111573282 385586487 /nfs/dbraw/zinc/58/64/87/385586487.db2.gz IFGIPUOTYZWHEL-GFCCVEGCSA-N 0 3 249.314 0.857 20 0 BCADHN CC(C)[C@H](O)CN[C@H](C(N)=O)C(C)(C)C ZINC000336649062 385587166 /nfs/dbraw/zinc/58/71/66/385587166.db2.gz FOEAHJLTXGZLIB-RKDXNWHRSA-N 0 3 216.325 0.493 20 0 BCADHN COC(C)(C)CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000334609392 385587482 /nfs/dbraw/zinc/58/74/82/385587482.db2.gz JTCFDRYSOYUIOU-UWVGGRQHSA-N 0 3 243.351 0.803 20 0 BCADHN CCN(CC)CC(=O)N1CCN(C)CC[C@@H]1C ZINC000354020030 385588346 /nfs/dbraw/zinc/58/83/46/385588346.db2.gz NCSNYULGZPYILO-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CC(C)[C@H](O)CN[C@H]1C(=O)NCC[C@H]1C ZINC000336649221 385588519 /nfs/dbraw/zinc/58/85/19/385588519.db2.gz FYXAGNPJYCWUEK-OPRDCNLKSA-N 0 3 214.309 0.118 20 0 BCADHN COC(=O)c1cc(CNC[C@H](C)O)cn1C ZINC000309485541 385613961 /nfs/dbraw/zinc/61/39/61/385613961.db2.gz VIZPKRXENNOCMA-QMMMGPOBSA-N 0 3 226.276 0.282 20 0 BCADHN COC[C@@H](C)NCC1(CS(C)(=O)=O)CCC1 ZINC000309486028 385614099 /nfs/dbraw/zinc/61/40/99/385614099.db2.gz VMUHSKMIKGIYRF-SNVBAGLBSA-N 0 3 249.376 0.826 20 0 BCADHN CSc1ccc(CNC[C@H](O)CO)s1 ZINC000336651034 385614248 /nfs/dbraw/zinc/61/42/48/385614248.db2.gz JEIDRYPKGKBTEY-ZETCQYMHSA-N 0 3 233.358 0.913 20 0 BCADHN COC(=O)c1cc(CNC[C@@H](C)O)cn1C ZINC000309485540 385614460 /nfs/dbraw/zinc/61/44/60/385614460.db2.gz VIZPKRXENNOCMA-MRVPVSSYSA-N 0 3 226.276 0.282 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC[C@@H](CO)C1 ZINC000408198574 385616529 /nfs/dbraw/zinc/61/65/29/385616529.db2.gz NTPBFHBITVNRCQ-GHMZBOCLSA-N 0 3 215.293 0.031 20 0 BCADHN CCn1nccc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644820863 385616691 /nfs/dbraw/zinc/61/66/91/385616691.db2.gz YITJMHYRCFXNEC-CMPLNLGQSA-N 0 3 248.330 0.679 20 0 BCADHN COCCCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644820846 385616737 /nfs/dbraw/zinc/61/67/37/385616737.db2.gz YHAUMXDIPAFKOF-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H](O)CN1CCN(CC2(C)COC2)[C@H](C)C1 ZINC000337357273 385617384 /nfs/dbraw/zinc/61/73/84/385617384.db2.gz CSVYYAJEQLLQAC-VXGBXAGGSA-N 0 3 242.363 0.410 20 0 BCADHN C([C@@H]1COCCO1)N1CCSCC1 ZINC000334736869 385620323 /nfs/dbraw/zinc/62/03/23/385620323.db2.gz RFBIMZZZOKZUTJ-SECBINFHSA-N 0 3 203.307 0.451 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)COCCOC ZINC000337382301 385621629 /nfs/dbraw/zinc/62/16/29/385621629.db2.gz BIMVAZLINJTWPA-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN COC[C@H]1CCCN(C[C@H]2CN(C)C(=O)O2)C1 ZINC000496808905 533136648 /nfs/dbraw/zinc/13/66/48/533136648.db2.gz KOCZKNTVZJECOI-WDEREUQCSA-N 0 3 242.319 0.795 20 0 BCADHN CN(C)CCNC(=O)c1cnn(C)c1C1CC1 ZINC000269727995 385629065 /nfs/dbraw/zinc/62/90/65/385629065.db2.gz WZNHICAPRJHLBE-UHFFFAOYSA-N 0 3 236.319 0.589 20 0 BCADHN CCS(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000066105765 385631914 /nfs/dbraw/zinc/63/19/14/385631914.db2.gz QHSKOTARRARYJV-JTQLQIEISA-N 0 3 232.349 0.506 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCCN2C)C1 ZINC000644820554 385608073 /nfs/dbraw/zinc/60/80/73/385608073.db2.gz XPIXCAWIOGATKP-SRVKXCTJSA-N 0 3 237.347 0.243 20 0 BCADHN CCOC[C@H](C)N[C@@H](CCSC)C(=O)NC ZINC000309476414 385608234 /nfs/dbraw/zinc/60/82/34/385608234.db2.gz RWABFRUQPIIDCC-UWVGGRQHSA-N 0 3 248.392 0.869 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Cc3ccnn3C)[C@H]2C1 ZINC000644817351 385612475 /nfs/dbraw/zinc/61/24/75/385612475.db2.gz DOTZOQFYLLPHIJ-PWSUYJOCSA-N 0 3 248.330 0.125 20 0 BCADHN CO[C@H](C)CCC(=O)NC[C@@](C)(O)CN(C)C ZINC000184122008 385613202 /nfs/dbraw/zinc/61/32/02/385613202.db2.gz LYOCFXWWSNRFQD-ZYHUDNBSSA-N 0 3 246.351 0.230 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)Cc2ccnn2C)C1 ZINC000644817349 385613485 /nfs/dbraw/zinc/61/34/85/385613485.db2.gz DOTZOQFYLLPHIJ-JQWIXIFHSA-N 0 3 248.330 0.125 20 0 BCADHN Cc1cnc(CNC[C@@H]2CCCN2C)n1C ZINC000309501730 385637550 /nfs/dbraw/zinc/63/75/50/385637550.db2.gz ZZORHZPZZRXZIS-NSHDSACASA-N 0 3 222.336 0.912 20 0 BCADHN COC(=O)[C@](C)(O)CN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000408184706 385637752 /nfs/dbraw/zinc/63/77/52/385637752.db2.gz ZHKGLBBLWGIFOA-DTHBNOIPSA-N 0 3 245.319 0.144 20 0 BCADHN Cc1nnccc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000269836628 385638900 /nfs/dbraw/zinc/63/89/00/385638900.db2.gz APKRCUAVBQJZNE-VIFPVBQESA-N 0 3 248.330 0.998 20 0 BCADHN CN(C)CCN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000309502954 385639598 /nfs/dbraw/zinc/63/95/98/385639598.db2.gz AGYCAFOWSJQFDJ-QWRGUYRKSA-N 0 3 248.392 0.493 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000336682932 385645309 /nfs/dbraw/zinc/64/53/09/385645309.db2.gz YUHCMAMOUKOEAJ-HTQZYQBOSA-N 0 3 236.262 0.606 20 0 BCADHN CCN(CC)CC(=O)NCCc1ccn(C)n1 ZINC000337402358 385647412 /nfs/dbraw/zinc/64/74/12/385647412.db2.gz LFEYJJKKJRRUGF-UHFFFAOYSA-N 0 3 238.335 0.421 20 0 BCADHN CCN1C[C@H](N[C@H](C)[C@H]2CCCO2)CC1=O ZINC000391514814 385650964 /nfs/dbraw/zinc/65/09/64/385650964.db2.gz QADNHRNZJWJDHB-GMTAPVOTSA-N 0 3 226.320 0.764 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](OC)C1 ZINC000337405417 385651403 /nfs/dbraw/zinc/65/14/03/385651403.db2.gz NGUKDQZZJJFMFX-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CC[C@H](NCCCNC(C)=O)c1nccn1C ZINC000182267857 385651422 /nfs/dbraw/zinc/65/14/22/385651422.db2.gz MNWQRTRFWLBEBE-NSHDSACASA-N 0 3 238.335 0.987 20 0 BCADHN Cn1cc(CC(=O)N2CC[C@H]3CN(C)C[C@@H]32)cn1 ZINC000644823781 385652371 /nfs/dbraw/zinc/65/23/71/385652371.db2.gz PFYJIUDKQHKUPX-RYUDHWBXSA-N 0 3 248.330 0.125 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644823595 385653017 /nfs/dbraw/zinc/65/30/17/385653017.db2.gz OTGSWPALSTYCBD-GWOFURMSSA-N 0 3 208.305 0.805 20 0 BCADHN CC[C@@H](C)N1CCN([C@@H](C)C(=O)OC)CC1 ZINC000055067896 385655340 /nfs/dbraw/zinc/65/53/40/385655340.db2.gz IYJLIYJTMHXFRT-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCOC1 ZINC000066948916 385656457 /nfs/dbraw/zinc/65/64/57/385656457.db2.gz UGWPVXUMODTQRT-SECBINFHSA-N 0 3 200.282 0.091 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3ccnn3C)[C@@H]2C1 ZINC000644818369 385656721 /nfs/dbraw/zinc/65/67/21/385656721.db2.gz LUSBWYRSBCADKW-GXSJLCMTSA-N 0 3 234.303 0.196 20 0 BCADHN C[C@H](NC(=O)[C@]1(F)CCNC1)C1CC1 ZINC000307138921 385659475 /nfs/dbraw/zinc/65/94/75/385659475.db2.gz AKGPKWCZNOOOIL-XVKPBYJWSA-N 0 3 200.257 0.603 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000337437048 385660086 /nfs/dbraw/zinc/66/00/86/385660086.db2.gz BKJLZSIHYAIEGA-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCCCF ZINC000308156556 385660362 /nfs/dbraw/zinc/66/03/62/385660362.db2.gz ULGOJQZJTMHYDB-MRVPVSSYSA-N 0 3 211.302 0.759 20 0 BCADHN CC(C)CC[C@H](O)CN(C)C(C)(C)C(N)=O ZINC000451136307 385660856 /nfs/dbraw/zinc/66/08/56/385660856.db2.gz PIBKEXJAKASXOS-JTQLQIEISA-N 0 3 230.352 0.979 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000337439407 385660988 /nfs/dbraw/zinc/66/09/88/385660988.db2.gz CMAAOEAOHRMYJC-ZJUUUORDSA-N 0 3 214.309 0.167 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C(C)(C)N)[C@H](C)O1 ZINC000307289115 385661890 /nfs/dbraw/zinc/66/18/90/385661890.db2.gz XZECYGXZJFFAFO-CSMHCCOUSA-N 0 3 200.282 0.406 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)N)[C@H](C)O1 ZINC000307289116 385662853 /nfs/dbraw/zinc/66/28/53/385662853.db2.gz XZECYGXZJFFAFO-GJMOJQLCSA-N 0 3 200.282 0.406 20 0 BCADHN CN1CCC(C(=O)N[C@H]2CCOC2)CC1 ZINC000337446810 385663748 /nfs/dbraw/zinc/66/37/48/385663748.db2.gz GFIFWVYVJISEMH-JTQLQIEISA-N 0 3 212.293 0.233 20 0 BCADHN COC(=O)C[C@]1(NC[C@@H](C)OC)CCOC1 ZINC000309528418 385664086 /nfs/dbraw/zinc/66/40/86/385664086.db2.gz CYSXKWCWRZZLRD-MWLCHTKSSA-N 0 3 231.292 0.333 20 0 BCADHN CC(C)CCCNC(=O)COC1CNC1 ZINC000309537804 385672272 /nfs/dbraw/zinc/67/22/72/385672272.db2.gz XMKZKQWECSCHHL-UHFFFAOYSA-N 0 3 214.309 0.527 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN1CCNCC1 ZINC000020523665 385672642 /nfs/dbraw/zinc/67/26/42/385672642.db2.gz SWLDNCKEZFVWAQ-JTQLQIEISA-N 0 3 213.325 0.052 20 0 BCADHN CCCCN(CCO)C(=O)/C=C/CN(C)C ZINC000270137449 385676184 /nfs/dbraw/zinc/67/61/84/385676184.db2.gz ODMOWAGWNXUMAA-VOTSOKGWSA-N 0 3 228.336 0.725 20 0 BCADHN CCN(CCO)CCNCc1ccc(C)o1 ZINC000184550471 385676465 /nfs/dbraw/zinc/67/64/65/385676465.db2.gz MDZRJXYVUKHLMP-UHFFFAOYSA-N 0 3 226.320 0.992 20 0 BCADHN C[C@H](NCC1([S@@](C)=O)CC1)c1cnn(C)c1 ZINC000309543195 385678310 /nfs/dbraw/zinc/67/83/10/385678310.db2.gz GGCQNPHVZOKAEY-XXFAHNHDSA-N 0 3 241.360 0.982 20 0 BCADHN Cc1cn[nH]c1CNC[C@@H]1CCCS1(=O)=O ZINC000336684904 385679168 /nfs/dbraw/zinc/67/91/68/385679168.db2.gz IDSLVGLVDDGMGD-VIFPVBQESA-N 0 3 243.332 0.385 20 0 BCADHN C[C@H]1CN(CCN2C(=O)CCC2=O)[C@H]1C ZINC000645218162 385679489 /nfs/dbraw/zinc/67/94/89/385679489.db2.gz PBDINHYAHOKALQ-IUCAKERBSA-N 0 3 210.277 0.476 20 0 BCADHN COC[C@H](O)CNCc1cn(C(C)C)nc1C ZINC000281528081 385680099 /nfs/dbraw/zinc/68/00/99/385680099.db2.gz YJIQNVVRCGUHJM-GFCCVEGCSA-N 0 3 241.335 0.869 20 0 BCADHN CCN(CCOC)C[C@@H](O)CSC ZINC000336653500 385682959 /nfs/dbraw/zinc/68/29/59/385682959.db2.gz MFLFGICKLRWCFA-SECBINFHSA-N 0 3 207.339 0.679 20 0 BCADHN CC(C)[C@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000307363169 385683977 /nfs/dbraw/zinc/68/39/77/385683977.db2.gz HIEJEIXOLUFUEQ-WCBMZHEXSA-N 0 3 202.273 0.849 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000270273732 385691859 /nfs/dbraw/zinc/69/18/59/385691859.db2.gz LODBDAWNTGPBOW-GGMAAXRASA-N 0 3 226.320 0.524 20 0 BCADHN CCN(CC)CC(=O)NC1(C(=O)OC)CC1 ZINC000337514726 385692714 /nfs/dbraw/zinc/69/27/14/385692714.db2.gz UKKNWUHIMRFJHR-UHFFFAOYSA-N 0 3 228.292 0.150 20 0 BCADHN CCN(CCn1ccccc1=O)[C@@H](C)CO ZINC000645232085 385693693 /nfs/dbraw/zinc/69/36/93/385693693.db2.gz YYHIDSMCROQVFR-NSHDSACASA-N 0 3 224.304 0.551 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)C1(O)CCC1 ZINC000335231589 385696398 /nfs/dbraw/zinc/69/63/98/385696398.db2.gz MAZKUZBGGJZNQI-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@@H](CO)[C@@H](C)NC(=O)/C=C/CN(C)C ZINC000270336544 385698710 /nfs/dbraw/zinc/69/87/10/385698710.db2.gz TXFGMDKAYNFEFM-FQNVXPIYSA-N 0 3 214.309 0.237 20 0 BCADHN CCN(CC)CC(=O)N(CCO)CC1CC1 ZINC000337515508 385698928 /nfs/dbraw/zinc/69/89/28/385698928.db2.gz IFDQGYYOWDIVMV-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN CC[NH+](CC)CC(=O)NCc1ncccc1[O-] ZINC000337557271 385701975 /nfs/dbraw/zinc/70/19/75/385701975.db2.gz KLIOTNXEDPVIQQ-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN CCN(CC)CC(=O)NCc1ncccc1O ZINC000337557271 385701981 /nfs/dbraw/zinc/70/19/81/385701981.db2.gz KLIOTNXEDPVIQQ-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN Cc1ccsc1[C@@H](CO)N[C@H](C)CC(N)=O ZINC000336735585 385705789 /nfs/dbraw/zinc/70/57/89/385705789.db2.gz IBSBVTPWZXQKQM-RKDXNWHRSA-N 0 3 242.344 0.943 20 0 BCADHN C[C@@H](O)CN(C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000182796712 385707487 /nfs/dbraw/zinc/70/74/87/385707487.db2.gz LUXAXIJXBLNTRK-WQAKAFBOSA-N 0 3 221.300 0.957 20 0 BCADHN CCN(CC)CC(=O)NCCN1CC=CCC1 ZINC000337565035 385710953 /nfs/dbraw/zinc/71/09/53/385710953.db2.gz PORLGJDAJRIRRA-UHFFFAOYSA-N 0 3 239.363 0.706 20 0 BCADHN CCN1CC[C@H](NCc2cc(C)n(C)n2)C1 ZINC000414545394 385715663 /nfs/dbraw/zinc/71/56/63/385715663.db2.gz FTSRCESTISAEJC-NSHDSACASA-N 0 3 222.336 0.912 20 0 BCADHN CCN(CC)CC(=O)N(C)[C@H](C)C(=O)OC ZINC000337580217 385715737 /nfs/dbraw/zinc/71/57/37/385715737.db2.gz ZNGCXUPVRDOSNP-SECBINFHSA-N 0 3 230.308 0.348 20 0 BCADHN CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1CCOC1 ZINC000336653670 385716650 /nfs/dbraw/zinc/71/66/50/385716650.db2.gz GGGRKYAVCXIPJR-GMTAPVOTSA-N 0 3 231.336 0.523 20 0 BCADHN Cc1c[nH]cc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000337451490 385667334 /nfs/dbraw/zinc/66/73/34/385667334.db2.gz LAFURQOJFXRBQH-GFCCVEGCSA-N 0 3 239.319 0.366 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NCCN1CCCC1 ZINC000336684463 385671195 /nfs/dbraw/zinc/67/11/95/385671195.db2.gz ZMAHAAJEGDSQCB-QMMMGPOBSA-N 0 3 235.278 0.181 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC(C)(OC)CC1 ZINC000336690802 385728837 /nfs/dbraw/zinc/72/88/37/385728837.db2.gz HJFGSJDJNBRCOB-GFCCVEGCSA-N 0 3 245.319 0.411 20 0 BCADHN CC[C@H](O)CNCc1c[nH]c(C(=O)OC)c1 ZINC000291807509 385729161 /nfs/dbraw/zinc/72/91/61/385729161.db2.gz XURJWUFCHNZAQQ-VIFPVBQESA-N 0 3 226.276 0.662 20 0 BCADHN CN(C)[C@H](CNC(=O)CO)c1ccccc1 ZINC000270735448 385735185 /nfs/dbraw/zinc/73/51/85/385735185.db2.gz DNACDYXLJJOHGK-LLVKDONJSA-N 0 3 222.288 0.398 20 0 BCADHN COC[C@H](CN[C@H](C)c1cn[nH]c1)OC ZINC000336694788 385741857 /nfs/dbraw/zinc/74/18/57/385741857.db2.gz NMVYIPBXAFIGBX-SCZZXKLOSA-N 0 3 213.281 0.722 20 0 BCADHN CC(C)(CC(N)=O)NCc1cccnc1 ZINC000186235466 385750097 /nfs/dbraw/zinc/75/00/97/385750097.db2.gz ZBKONENVSQQPHQ-UHFFFAOYSA-N 0 3 207.277 0.825 20 0 BCADHN CC[C@H](COC)N[C@@H]1CCCN(C)C1=O ZINC000336736765 385750512 /nfs/dbraw/zinc/75/05/12/385750512.db2.gz PQLMHKWDLZWRLC-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN COCC[C@H](CO)NCc1cccc(OC)n1 ZINC000282339539 385754337 /nfs/dbraw/zinc/75/43/37/385754337.db2.gz UWXRLECVDYXIEF-LLVKDONJSA-N 0 3 240.303 0.577 20 0 BCADHN Cc1nccn1CCN[C@@H]1C(=O)NCC[C@@H]1C ZINC000282401732 385757820 /nfs/dbraw/zinc/75/78/20/385757820.db2.gz PRVNEAGHKDIKRD-ONGXEEELSA-N 0 3 236.319 0.306 20 0 BCADHN Cc1cc(C(=O)N2CCCN(C)CC2)cc(=O)[nH]1 ZINC000183433707 385761426 /nfs/dbraw/zinc/76/14/26/385761426.db2.gz LAATUBYPZUDAMN-UHFFFAOYSA-N 0 3 249.314 0.873 20 0 BCADHN CCN(CCNc1nccn(C)c1=O)C1CC1 ZINC000230902966 385765797 /nfs/dbraw/zinc/76/57/97/385765797.db2.gz BNCLVTLNQZSCFB-UHFFFAOYSA-N 0 3 236.319 0.677 20 0 BCADHN Cc1nc(CN[C@H](CO)C(C)(C)C)n[nH]1 ZINC000336655754 385766537 /nfs/dbraw/zinc/76/65/37/385766537.db2.gz ADHBFQGKASLEFZ-MRVPVSSYSA-N 0 3 212.297 0.610 20 0 BCADHN CN(CCNC(=O)NCCN1CCC1)C1CC1 ZINC000337736886 385767503 /nfs/dbraw/zinc/76/75/03/385767503.db2.gz RWIHNLULEBKITB-UHFFFAOYSA-N 0 3 240.351 0.086 20 0 BCADHN CCSCCCNC(=O)NCCN(C)C ZINC000337727349 385769560 /nfs/dbraw/zinc/76/95/60/385769560.db2.gz ARQPXZVYAORUNV-UHFFFAOYSA-N 0 3 233.381 0.990 20 0 BCADHN CNC(=O)CCN[C@@H](CO)c1sccc1C ZINC000309660714 385779323 /nfs/dbraw/zinc/77/93/23/385779323.db2.gz REHJABAKKKNGSM-VIFPVBQESA-N 0 3 242.344 0.816 20 0 BCADHN CC(C)[C@H](CCO)NCC(=O)N(C)CC1CC1 ZINC000161857046 385779894 /nfs/dbraw/zinc/77/98/94/385779894.db2.gz KJPSDSZXCMOGFN-LBPRGKRZSA-N 0 3 242.363 0.851 20 0 BCADHN Cn1cncc1CNCC[C@H](O)C(F)(F)F ZINC000336689727 385720179 /nfs/dbraw/zinc/72/01/79/385720179.db2.gz KEDBLGPCIDTTMT-QMMMGPOBSA-N 0 3 237.225 0.823 20 0 BCADHN C[C@@H](NC[C@]1(O)CCN(C)C1)c1cncs1 ZINC000309590025 385721011 /nfs/dbraw/zinc/72/10/11/385721011.db2.gz UNLDDVXFPZMMPI-MWLCHTKSSA-N 0 3 241.360 0.860 20 0 BCADHN C[C@@H](O)CCN1CCN(C2CCC2)CC1 ZINC000336654123 385721382 /nfs/dbraw/zinc/72/13/82/385721382.db2.gz ZLERKKMIMFAMFC-LLVKDONJSA-N 0 3 212.337 0.927 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](C)[C@H]1CO ZINC000337591276 385723800 /nfs/dbraw/zinc/72/38/00/385723800.db2.gz IFYZGRAVSDOOMD-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN Cn1nncc1CNCC[C@@H](O)C(F)(F)F ZINC000336691435 385724124 /nfs/dbraw/zinc/72/41/24/385724124.db2.gz WWUDVFZTXCWEPT-SSDOTTSWSA-N 0 3 238.213 0.218 20 0 BCADHN O=S1(=O)CCC[C@H](NC[C@@H](CO)C2CC2)C1 ZINC000309596156 385724913 /nfs/dbraw/zinc/72/49/13/385724913.db2.gz URYMJSIUOVLREW-QWRGUYRKSA-N 0 3 247.360 0.172 20 0 BCADHN COC[C@H](O)CNCc1cnn(CC(C)C)c1 ZINC000282764218 385785489 /nfs/dbraw/zinc/78/54/89/385785489.db2.gz WDIDKDOOTDMAKG-GFCCVEGCSA-N 0 3 241.335 0.636 20 0 BCADHN C[C@@H](O)CN1CC[C@H](Oc2ccccn2)C1 ZINC000282052887 385727177 /nfs/dbraw/zinc/72/71/77/385727177.db2.gz RSENLCIDWPGBGO-MNOVXSKESA-N 0 3 222.288 0.916 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000185186608 385727269 /nfs/dbraw/zinc/72/72/69/385727269.db2.gz AMOBEQIOCFLXFH-GHMZBOCLSA-N 0 3 239.363 0.680 20 0 BCADHN CN(C)CCNC(=O)/C=C/c1cncs1 ZINC000282981628 385801549 /nfs/dbraw/zinc/80/15/49/385801549.db2.gz KGWXNJVLBLKIRF-ONEGZZNKSA-N 0 3 225.317 0.834 20 0 BCADHN CC1(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000363877433 385801730 /nfs/dbraw/zinc/80/17/30/385801730.db2.gz DBIDDADDKUSXFB-QWRGUYRKSA-N 0 3 238.331 0.766 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CCCSC1 ZINC000186884538 385807537 /nfs/dbraw/zinc/80/75/37/385807537.db2.gz PHFAFZVAFQIDQX-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN C[C@H](O)CN(CCO)C[C@@H]1CC[C@H](C)O1 ZINC000336714246 385808723 /nfs/dbraw/zinc/80/87/23/385808723.db2.gz WAOWXJPBOCDUDT-DCAQKATOSA-N 0 3 217.309 0.229 20 0 BCADHN Cn1nccc1CNCCC1(O)CCC1 ZINC000283930337 385809898 /nfs/dbraw/zinc/80/98/98/385809898.db2.gz JFDLXBTXOAUGEB-UHFFFAOYSA-N 0 3 209.293 0.815 20 0 BCADHN C[C@H](CC(N)=O)NCc1cnccc1N(C)C ZINC000353198662 385810854 /nfs/dbraw/zinc/81/08/54/385810854.db2.gz UUFOVEBTGYAUOL-SECBINFHSA-N 0 3 236.319 0.501 20 0 BCADHN CCOC[C@H](O)CNCc1ccn2ccnc2c1 ZINC000521426966 385814501 /nfs/dbraw/zinc/81/45/01/385814501.db2.gz WGFQKOYDFVSVRN-GFCCVEGCSA-N 0 3 249.314 0.821 20 0 BCADHN Cc1[nH]cnc1CC(=O)NN1CCCCC1 ZINC000283229097 385814479 /nfs/dbraw/zinc/81/44/79/385814479.db2.gz BGLVGPNLPDYVLB-UHFFFAOYSA-N 0 3 222.292 0.778 20 0 BCADHN CC[C@](C)(O)CN1CCN2C(=O)N(C)C[C@H]2C1 ZINC000365823094 385814800 /nfs/dbraw/zinc/81/48/00/385814800.db2.gz UHOCLKPWZPPFIK-JQWIXIFHSA-N 0 3 241.335 0.199 20 0 BCADHN CSC[C@@H](C)NC[C@H](C)S(C)(=O)=O ZINC000521426436 385815843 /nfs/dbraw/zinc/81/58/43/385815843.db2.gz ALFCZNZCIDJQNX-SFYZADRCSA-N 0 3 225.379 0.761 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000261591734 385823526 /nfs/dbraw/zinc/82/35/26/385823526.db2.gz VNTZMOOUAIFJBX-WCBMZHEXSA-N 0 3 224.308 0.581 20 0 BCADHN CN(CCc1cscn1)CC(C)(CO)CO ZINC000283683606 385828852 /nfs/dbraw/zinc/82/88/52/385828852.db2.gz GELKTZLHWIKLPQ-UHFFFAOYSA-N 0 3 244.360 0.608 20 0 BCADHN Cc1cn[nH]c1CN1CCC[C@@H](C(N)=O)C1 ZINC000283730359 385830306 /nfs/dbraw/zinc/83/03/06/385830306.db2.gz CDDUQAFNAIADHB-SECBINFHSA-N 0 3 222.292 0.415 20 0 BCADHN Cc1cn[nH]c1CN1CCC(CO)CC1 ZINC000283863583 385836668 /nfs/dbraw/zinc/83/66/68/385836668.db2.gz DYXSAARRCRRZNX-UHFFFAOYSA-N 0 3 209.293 0.922 20 0 BCADHN CO[C@@H](C[NH3+])CC(=O)Nc1ncccc1[O-] ZINC000232124766 385836788 /nfs/dbraw/zinc/83/67/88/385836788.db2.gz ZRIKJHWMHXSMMX-SSDOTTSWSA-N 0 3 225.248 0.090 20 0 BCADHN CCCCN(C)CCNC(=O)COCC ZINC000112309006 385837134 /nfs/dbraw/zinc/83/71/34/385837134.db2.gz KZAZAACIIGJVGS-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN Cn1cnc(C(=O)NCC2=CCN(C)CC2)c1 ZINC000271895916 385858350 /nfs/dbraw/zinc/85/83/50/385858350.db2.gz PFHMUMXFPVNIHW-UHFFFAOYSA-N 0 3 234.303 0.412 20 0 BCADHN C[C@@H](C[NH3+])C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000262178135 385837550 /nfs/dbraw/zinc/83/75/50/385837550.db2.gz KTGMPHLNHLFLRM-VKHMYHEASA-N 0 3 237.185 0.357 20 0 BCADHN C[C@@H](C[NH3+])C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000262178135 385837554 /nfs/dbraw/zinc/83/75/54/385837554.db2.gz KTGMPHLNHLFLRM-VKHMYHEASA-N 0 3 237.185 0.357 20 0 BCADHN CCCCN(C)CCNC(=O)c1cnccn1 ZINC000112309501 385837644 /nfs/dbraw/zinc/83/76/44/385837644.db2.gz SMVOBEBXHPCXDN-UHFFFAOYSA-N 0 3 236.319 0.938 20 0 BCADHN Cc1ccc([O-])c(CNC[C@H](C)C[NH3+])n1 ZINC000414869748 385838134 /nfs/dbraw/zinc/83/81/34/385838134.db2.gz BFNCILNQVOYIRO-MRVPVSSYSA-N 0 3 209.293 0.780 20 0 BCADHN CCCCN(C)CCNC(=O)c1ccn[nH]1 ZINC000112309974 385839131 /nfs/dbraw/zinc/83/91/31/385839131.db2.gz ULJWWFFVDRJPEW-UHFFFAOYSA-N 0 3 224.308 0.871 20 0 BCADHN C[C@@H](NCc1cnn(C)c1)C(C)(C)n1cncn1 ZINC000283916426 385839847 /nfs/dbraw/zinc/83/98/47/385839847.db2.gz DNQOTRVHFKTXCQ-SNVBAGLBSA-N 0 3 248.334 0.925 20 0 BCADHN CCCCN(C)CCNC(=O)[C@H](C)NC(C)=O ZINC000112311562 385840170 /nfs/dbraw/zinc/84/01/70/385840170.db2.gz RLRIILCSVJDHMK-JTQLQIEISA-N 0 3 243.351 0.359 20 0 BCADHN CO[C@@H]1C[C@@H](NCC(=O)N2CCC2)C1(C)C ZINC000451512715 385843965 /nfs/dbraw/zinc/84/39/65/385843965.db2.gz XUWRZUGGSWPTMA-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN CN1CC=C(CNC(=O)CCn2ccnc2)CC1 ZINC000271903441 385858586 /nfs/dbraw/zinc/85/85/86/385858586.db2.gz QHBNRKXWVWDDMH-UHFFFAOYSA-N 0 3 248.330 0.651 20 0 BCADHN CS(=O)(=O)NCCN1CCCC12CCC2 ZINC000335717118 385846793 /nfs/dbraw/zinc/84/67/93/385846793.db2.gz BPENXLXNNQGGTO-UHFFFAOYSA-N 0 3 232.349 0.554 20 0 BCADHN CC[C@H](C(=O)N1CCO[C@@H](C)[C@H]1C)N(C)C ZINC000413640074 385847451 /nfs/dbraw/zinc/84/74/51/385847451.db2.gz PMYLYLQBGIFFKN-OUAUKWLOSA-N 0 3 228.336 0.962 20 0 BCADHN CC[C@H](C(=O)N[C@]1(C)CCOC1)N(C)C ZINC000413641195 385847601 /nfs/dbraw/zinc/84/76/01/385847601.db2.gz MYTULQBYCYOZET-MWLCHTKSSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H](C(=O)N[C@@]1(C)CCOC1)N(C)C ZINC000413641194 385847809 /nfs/dbraw/zinc/84/78/09/385847809.db2.gz MYTULQBYCYOZET-KOLCDFICSA-N 0 3 214.309 0.622 20 0 BCADHN O=C(C1=CCOCC1)N1CCN2CCC[C@H]2C1 ZINC000335759069 385851395 /nfs/dbraw/zinc/85/13/95/385851395.db2.gz VECJDGOBXPSCAF-LBPRGKRZSA-N 0 3 236.315 0.640 20 0 BCADHN CC[C@H](C(=O)N1CCOC[C@@H]1C1CC1)N(C)C ZINC000413660008 385852328 /nfs/dbraw/zinc/85/23/28/385852328.db2.gz VDGNNYLKIABPFE-VXGBXAGGSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@H](C(=O)N(C)[C@@H](C)CO)N(C)C ZINC000413637325 385852624 /nfs/dbraw/zinc/85/26/24/385852624.db2.gz HDWYPSWOOYRVTG-DTWKUNHWSA-N 0 3 202.298 0.166 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@@H](C)CO)N(C)C ZINC000413637326 385852642 /nfs/dbraw/zinc/85/26/42/385852642.db2.gz HDWYPSWOOYRVTG-IUCAKERBSA-N 0 3 202.298 0.166 20 0 BCADHN CCCCN(C)CCNC(=O)c1cn(C)cn1 ZINC000340152263 385789359 /nfs/dbraw/zinc/78/93/59/385789359.db2.gz HUTSWFWUOWBAAZ-UHFFFAOYSA-N 0 3 238.335 0.882 20 0 BCADHN COC(=O)[C@@H]1CCN(Cc2[nH]ncc2C)C1 ZINC000260177359 385789354 /nfs/dbraw/zinc/78/93/54/385789354.db2.gz UDBUPCNKRVMCKT-SECBINFHSA-N 0 3 223.276 0.713 20 0 BCADHN COC[C@H](C)N[C@@H](CO)[C@H]1CCCO1 ZINC000336656868 385792494 /nfs/dbraw/zinc/79/24/94/385792494.db2.gz PALYPYNKXCISFG-LPEHRKFASA-N 0 3 203.282 0.151 20 0 BCADHN CN(C)c1ccccc1CNC[C@H](O)CO ZINC000309679341 385793285 /nfs/dbraw/zinc/79/32/85/385793285.db2.gz YZNLJSOUKHJNKB-NSHDSACASA-N 0 3 224.304 0.195 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccccn2)[C@H]1C ZINC000071521331 385793976 /nfs/dbraw/zinc/79/39/76/385793976.db2.gz KEWNVJZJHACYAB-ZJUUUORDSA-N 0 3 219.288 0.904 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@@H](N)C1CCOCC1 ZINC000337804762 385794312 /nfs/dbraw/zinc/79/43/12/385794312.db2.gz JJBUREORSMPRML-MNOVXSKESA-N 0 3 244.335 0.018 20 0 BCADHN Cn1cc(CNCCC2(O)CCC2)cn1 ZINC000283837194 385797645 /nfs/dbraw/zinc/79/76/45/385797645.db2.gz FLFMAEDKJFMMPJ-UHFFFAOYSA-N 0 3 209.293 0.815 20 0 BCADHN CC[C@@H](C(=O)NC[C@@](C)(O)C1CC1)N(C)C ZINC000331745074 385884756 /nfs/dbraw/zinc/88/47/56/385884756.db2.gz HOZVXYCVIXGFLN-CMPLNLGQSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@@H](C(=O)NC[C@](C)(O)C1CC1)N(C)C ZINC000331745075 385885772 /nfs/dbraw/zinc/88/57/72/385885772.db2.gz HOZVXYCVIXGFLN-JQWIXIFHSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H](CNCc1cncn1C)C[C@H](C)O ZINC000123432084 385887872 /nfs/dbraw/zinc/88/78/72/385887872.db2.gz RUCJTAWOFXAWID-ZJUUUORDSA-N 0 3 211.309 0.917 20 0 BCADHN CC1(C)CNCCN1C(=O)Cc1ccc(N)cn1 ZINC000647841486 385889090 /nfs/dbraw/zinc/88/90/90/385889090.db2.gz XNLJTRBTWGLVRY-UHFFFAOYSA-N 0 3 248.330 0.417 20 0 BCADHN Cc1sccc1CN1C[C@@H](O)[C@H](O)C1 ZINC000294733526 385889412 /nfs/dbraw/zinc/88/94/12/385889412.db2.gz QFWXEUXUJIXHCU-NXEZZACHSA-N 0 3 213.302 0.594 20 0 BCADHN CC1(C)CNCCN1C(=O)c1cnn2c1CCC2 ZINC000647841270 385889830 /nfs/dbraw/zinc/88/98/30/385889830.db2.gz FOHHZGYNRSJJMN-UHFFFAOYSA-N 0 3 248.330 0.653 20 0 BCADHN CCN(C)CCNC(=O)c1ccnc2[nH]cnc21 ZINC000272271369 385890311 /nfs/dbraw/zinc/89/03/11/385890311.db2.gz SBBQSTCPHPAYAO-UHFFFAOYSA-N 0 3 247.302 0.639 20 0 BCADHN Cc1sccc1CN1C[C@H](O)[C@@H](O)C1 ZINC000294733533 385890646 /nfs/dbraw/zinc/89/06/46/385890646.db2.gz QFWXEUXUJIXHCU-UWVGGRQHSA-N 0 3 213.302 0.594 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)c1nc(C)no1 ZINC000338120325 385901203 /nfs/dbraw/zinc/90/12/03/385901203.db2.gz MBCBDXRFHHXFHC-MRVPVSSYSA-N 0 3 240.307 0.897 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1C[C@H]1C(F)F ZINC000338154353 385906124 /nfs/dbraw/zinc/90/61/24/385906124.db2.gz PGGKZAQJJGXCMZ-HTQZYQBOSA-N 0 3 220.263 0.956 20 0 BCADHN NC(=O)N[C@H]1CCN(CC[C@H]2CCCO2)C1 ZINC000408272910 385906549 /nfs/dbraw/zinc/90/65/49/385906549.db2.gz KUZCPHCNMCIYIJ-VHSXEESVSA-N 0 3 227.308 0.298 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000336721355 385908183 /nfs/dbraw/zinc/90/81/83/385908183.db2.gz SOLDCGTVXPAENW-IONNQARKSA-N 0 3 247.289 0.322 20 0 BCADHN Cn1cc(CNC2(CC(N)=O)CCC2)cn1 ZINC000336721367 385908615 /nfs/dbraw/zinc/90/86/15/385908615.db2.gz ZNNVRGQSJZSIBH-UHFFFAOYSA-N 0 3 222.292 0.308 20 0 BCADHN CC(C)CO[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000122319406 385909040 /nfs/dbraw/zinc/90/90/40/385909040.db2.gz SKMGALILZRQPNV-VHSXEESVSA-N 0 3 214.309 0.607 20 0 BCADHN CS[C@@H](C)CNC(=O)[C@H](N)C(C)C ZINC000122337613 385910212 /nfs/dbraw/zinc/91/02/12/385910212.db2.gz RSEJTQFBDDNQEO-JGVFFNPUSA-N 0 3 204.339 0.837 20 0 BCADHN Cn1[nH]cnc1=NCCN1CCCCCC1 ZINC000647855468 385910263 /nfs/dbraw/zinc/91/02/63/385910263.db2.gz KKDHUZGFEAIWKD-UHFFFAOYSA-N 0 3 223.324 0.525 20 0 BCADHN CN1CCC(C(=O)N2CC3(C2)CCOC3)CC1 ZINC000342023173 385912408 /nfs/dbraw/zinc/91/24/08/385912408.db2.gz GXOBKLFNIDJZJG-UHFFFAOYSA-N 0 3 238.331 0.577 20 0 BCADHN CCC1(CC)[C@@H](NC(=O)CN)C[C@@H]1OC ZINC000122368064 385913103 /nfs/dbraw/zinc/91/31/03/385913103.db2.gz XMTLCRYQGZPPJJ-IUCAKERBSA-N 0 3 214.309 0.655 20 0 BCADHN CC[C@H](COC)N[C@H]1CCC(=O)N(C)C1=O ZINC000084406661 385913300 /nfs/dbraw/zinc/91/33/00/385913300.db2.gz PRWSRBCVTGTUBH-BDAKNGLRSA-N 0 3 228.292 0.148 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@H]([C@H](C)O)C1 ZINC000272573506 385913418 /nfs/dbraw/zinc/91/34/18/385913418.db2.gz WNGJSEOEECJVID-UWVGGRQHSA-N 0 3 209.293 0.921 20 0 BCADHN CC(C)(O)C(C)(C)NCc1cc(=O)c(O)co1 ZINC000272572117 385913479 /nfs/dbraw/zinc/91/34/79/385913479.db2.gz JXINTSMCICBKLE-UHFFFAOYSA-N 0 3 241.287 0.985 20 0 BCADHN Cc1ccccc1[C@@H](N)C(=O)N1CCCNCC1 ZINC000294906493 385914195 /nfs/dbraw/zinc/91/41/95/385914195.db2.gz ZTFMBWIMZMGFNL-CYBMUJFWSA-N 0 3 247.342 0.817 20 0 BCADHN CCN(C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000123824662 385914307 /nfs/dbraw/zinc/91/43/07/385914307.db2.gz YKIJPJPAIUZPLL-VIFPVBQESA-N 0 3 211.309 0.884 20 0 BCADHN NC(=O)N1CCCN(CC[C@@H]2CCCO2)CC1 ZINC000189052702 385918264 /nfs/dbraw/zinc/91/82/64/385918264.db2.gz BEOYWIVIDHFCKY-NSHDSACASA-N 0 3 241.335 0.642 20 0 BCADHN CN(Cc1cccc(C(N)=O)c1)C1(CO)CC1 ZINC000285367917 385918475 /nfs/dbraw/zinc/91/84/75/385918475.db2.gz BZAPUBXWIWJEKC-UHFFFAOYSA-N 0 3 234.299 0.742 20 0 BCADHN C[C@@H](NC(=O)c1cnn(C)c1)C1=CCN(C)CC1 ZINC000272641013 385919815 /nfs/dbraw/zinc/91/98/15/385919815.db2.gz CPUUMKLJROEVAO-SNVBAGLBSA-N 0 3 248.330 0.800 20 0 BCADHN C[C@H](NC(=O)Cn1cccn1)C1=CCN(C)CC1 ZINC000272633891 385920846 /nfs/dbraw/zinc/92/08/46/385920846.db2.gz BSLJJVGJLWOWFH-NSHDSACASA-N 0 3 248.330 0.650 20 0 BCADHN CCc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)[nH]n1 ZINC000272633283 385921873 /nfs/dbraw/zinc/92/18/73/385921873.db2.gz WONQRPQYOWQOEX-IUCAKERBSA-N 0 3 236.319 0.795 20 0 BCADHN CCc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)n[nH]1 ZINC000272633283 385921877 /nfs/dbraw/zinc/92/18/77/385921877.db2.gz WONQRPQYOWQOEX-IUCAKERBSA-N 0 3 236.319 0.795 20 0 BCADHN CN(C[C@@H]1CCCO1)C(=O)C1(N)CCOCC1 ZINC000127878483 385921920 /nfs/dbraw/zinc/92/19/20/385921920.db2.gz WWOWCBKVNIBIOY-JTQLQIEISA-N 0 3 242.319 0.132 20 0 BCADHN C/C=C/C[C@H](CO)NC(=O)C1CCN(C)CC1 ZINC000354183310 385922527 /nfs/dbraw/zinc/92/25/27/385922527.db2.gz ZHBAOOLPQYOWPF-AAOUONPWSA-N 0 3 240.347 0.772 20 0 BCADHN CN(CCc1ccnn1C)C1(CO)CC1 ZINC000285406398 385923463 /nfs/dbraw/zinc/92/34/63/385923463.db2.gz FMVXQFQDJFIZES-UHFFFAOYSA-N 0 3 209.293 0.419 20 0 BCADHN CC(C)OC1CC(N[C@@H]2COC[C@@H]2O)C1 ZINC000308971935 385924126 /nfs/dbraw/zinc/92/41/26/385924126.db2.gz FMAWIGHQCBFOFP-LXKPXOPUSA-N 0 3 215.293 0.292 20 0 BCADHN Cc1nnsc1CNCCCOCCO ZINC000308976856 385925683 /nfs/dbraw/zinc/92/56/83/385925683.db2.gz ITSYDKXVCQTHRJ-UHFFFAOYSA-N 0 3 231.321 0.335 20 0 BCADHN CCN(C)CCNC(=O)c1cc(C=O)c[nH]1 ZINC000294963220 385927646 /nfs/dbraw/zinc/92/76/46/385927646.db2.gz ZCDIKJPWECJYTK-UHFFFAOYSA-N 0 3 223.276 0.509 20 0 BCADHN CN1CC=C(CNC(=O)Cn2cccn2)CC1 ZINC000271917033 385861093 /nfs/dbraw/zinc/86/10/93/385861093.db2.gz SFYRBMZIWWKXKB-UHFFFAOYSA-N 0 3 234.303 0.261 20 0 BCADHN CN1C[C@H]2CCN(Cc3cn[nH]c3)[C@H]2C1 ZINC000644839578 385864539 /nfs/dbraw/zinc/86/45/39/385864539.db2.gz BKELXBLBUZANKI-MNOVXSKESA-N 0 3 206.293 0.546 20 0 BCADHN CCN(CCO)[C@H]1Cc2ccccc2[C@H]1O ZINC000271998635 385865641 /nfs/dbraw/zinc/86/56/41/385865641.db2.gz RCRFURAETGUABB-QWHCGFSZSA-N 0 3 221.300 0.959 20 0 BCADHN O=C1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CCN1 ZINC000272005281 385867696 /nfs/dbraw/zinc/86/76/96/385867696.db2.gz SEOBIUSQBZSYIP-OCCSQVGLSA-N 0 3 246.310 0.467 20 0 BCADHN COC[C@@H]1CCN(CC(=O)N(C)C2CC2)C1 ZINC000337984960 385868827 /nfs/dbraw/zinc/86/88/27/385868827.db2.gz YYJLPUGEUALMJB-SNVBAGLBSA-N 0 3 226.320 0.576 20 0 BCADHN CSC1(CN[C@H](C)C(=O)NCCF)CC1 ZINC000336725994 385869368 /nfs/dbraw/zinc/86/93/68/385869368.db2.gz GPUSJNYADRCMMN-MRVPVSSYSA-N 0 3 234.340 0.946 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000644841181 385878530 /nfs/dbraw/zinc/87/85/30/385878530.db2.gz OARTUIMHWUOHRR-DGCLKSJQSA-N 0 3 234.347 0.864 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H](C)c1ncon1)N(C)C ZINC000272142889 385878532 /nfs/dbraw/zinc/87/85/32/385878532.db2.gz DVERTMIOJQOZHG-DTWKUNHWSA-N 0 3 240.307 0.833 20 0 BCADHN CC[C@H](C(=O)N(C)[C@H](C)C(=O)OC)N(C)C ZINC000413769587 385880314 /nfs/dbraw/zinc/88/03/14/385880314.db2.gz RAEHTABVURDOLJ-RKDXNWHRSA-N 0 3 230.308 0.347 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@@H](C)C(=O)OC)N(C)C ZINC000413769586 385880385 /nfs/dbraw/zinc/88/03/85/385880385.db2.gz RAEHTABVURDOLJ-IUCAKERBSA-N 0 3 230.308 0.347 20 0 BCADHN CC[C@H](C(=O)N1C[C@H](O)C[C@H]1C)N(C)C ZINC000413774548 385882003 /nfs/dbraw/zinc/88/20/03/385882003.db2.gz PGGKKXQXXPIKIO-OPRDCNLKSA-N 0 3 214.309 0.308 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](CO)C(C)(C)C)N(C)C ZINC000413790415 385883033 /nfs/dbraw/zinc/88/30/33/385883033.db2.gz WXKBFELNTYXAJQ-UWVGGRQHSA-N 0 3 230.352 0.850 20 0 BCADHN Cc1c[nH]nc1CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644842132 385883196 /nfs/dbraw/zinc/88/31/96/385883196.db2.gz VPIOHNYJONBMOC-PWSUYJOCSA-N 0 3 220.320 0.854 20 0 BCADHN CCN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000334232067 385976108 /nfs/dbraw/zinc/97/61/08/385976108.db2.gz VMAQLJVNEGNELV-JTQLQIEISA-N 0 3 234.365 0.610 20 0 BCADHN C[C@]1(CNCc2cncnc2)CCOC1 ZINC000336747643 385979176 /nfs/dbraw/zinc/97/91/76/385979176.db2.gz CPIBYBGWBPRPTK-LLVKDONJSA-N 0 3 207.277 0.993 20 0 BCADHN O[C@@H](CN1CC(C2CCC2)C1)Cn1cccn1 ZINC000414131325 385979482 /nfs/dbraw/zinc/97/94/82/385979482.db2.gz ZDFOPPBGYCIKSQ-ZDUSSCGKSA-N 0 3 235.331 0.976 20 0 BCADHN COC[C@H](C)N1CCN(C[C@@H](C)O)CC1 ZINC000189349629 385983838 /nfs/dbraw/zinc/98/38/38/385983838.db2.gz GRXPINAYWOAPBR-WDEREUQCSA-N 0 3 216.325 0.020 20 0 BCADHN CO[C@@H](C)CN(C)C(=O)NC1CCN(C)CC1 ZINC000345070168 385985200 /nfs/dbraw/zinc/98/52/00/385985200.db2.gz AOYXKVSYAFRDJX-JTQLQIEISA-N 0 3 243.351 0.757 20 0 BCADHN COC(=O)c1ccc(N2CC(N(C)C)C2)nn1 ZINC000273270852 385985829 /nfs/dbraw/zinc/98/58/29/385985829.db2.gz HQEMYACGJVCDOG-UHFFFAOYSA-N 0 3 236.275 0.013 20 0 BCADHN C[C@H](O)C[C@H](C)CN[C@@H](C)CS(C)(=O)=O ZINC000336748382 385986148 /nfs/dbraw/zinc/98/61/48/385986148.db2.gz CLJLNJIUARHWRI-GUBZILKMSA-N 0 3 237.365 0.416 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(O)cc1[O-])[NH+](C)C ZINC000221305658 385988356 /nfs/dbraw/zinc/98/83/56/385988356.db2.gz SXMGNYCIKMRYFP-QMMMGPOBSA-N 0 3 238.287 0.778 20 0 BCADHN CCN1CCCC[C@H]1CN=c1nc[nH]n1C ZINC000647868148 385989858 /nfs/dbraw/zinc/98/98/58/385989858.db2.gz IUXHXKBGBSPLAG-JTQLQIEISA-N 0 3 223.324 0.523 20 0 BCADHN C[C@@H](O)CCN1CCN(CC[C@H](C)O)C[C@H]1C ZINC000425416542 385990720 /nfs/dbraw/zinc/99/07/20/385990720.db2.gz LKRISOJDCSOGSL-FRRDWIJNSA-N 0 3 244.379 0.534 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCc1ccccn1 ZINC000286057466 385992137 /nfs/dbraw/zinc/99/21/37/385992137.db2.gz AGICLCMZJIVNFR-JTQLQIEISA-N 0 3 236.319 0.831 20 0 BCADHN CN(CCc1cnn(C)c1)C1(CO)CC1 ZINC000285470015 385931755 /nfs/dbraw/zinc/93/17/55/385931755.db2.gz KKPZLDIQJQLCOP-UHFFFAOYSA-N 0 3 209.293 0.419 20 0 BCADHN C[C@@H](NC(=O)c1ccnn1C)C1=CCN(C)CC1 ZINC000272769087 385932212 /nfs/dbraw/zinc/93/22/12/385932212.db2.gz QNJCUYIPJFNVEZ-SNVBAGLBSA-N 0 3 248.330 0.800 20 0 BCADHN CO[C@@H]1CCCC[C@H]1NCC(=O)N1CCC1 ZINC000336767913 385932618 /nfs/dbraw/zinc/93/26/18/385932618.db2.gz QCTKFTKCDAXAOE-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC[C@]2(CCOC2)C1 ZINC000335041628 385934431 /nfs/dbraw/zinc/93/44/31/385934431.db2.gz UNDZLOJLOVEDKM-AAEUAGOBSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)N(CCNS(C)(=O)=O)C(C)C ZINC000057530647 385936653 /nfs/dbraw/zinc/93/66/53/385936653.db2.gz FAXYAHQTYVXFNO-UHFFFAOYSA-N 0 3 222.354 0.654 20 0 BCADHN C[C@H](NCCO)c1ccc2c(c1)OCC(=O)N2 ZINC000285524206 385936823 /nfs/dbraw/zinc/93/68/23/385936823.db2.gz FBEHLYBCHCUTJU-QMMMGPOBSA-N 0 3 236.271 0.660 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CCN(C2CC2)C1)N(C)C ZINC000338272778 385938281 /nfs/dbraw/zinc/93/82/81/385938281.db2.gz UNRHWIFEWOVOOU-JQWIXIFHSA-N 0 3 239.363 0.680 20 0 BCADHN CN(C)C1(CN(C)S(=O)(=O)C2CC2)CCC1 ZINC000189134412 385940689 /nfs/dbraw/zinc/94/06/89/385940689.db2.gz ZJFOJPUMODSBJN-UHFFFAOYSA-N 0 3 246.376 0.895 20 0 BCADHN CN1CCC(NC(=O)[C@]2(C)C[C@H]2F)CC1 ZINC000335046456 385940735 /nfs/dbraw/zinc/94/07/35/385940735.db2.gz CCYNQIHIOPBKGC-MWLCHTKSSA-N 0 3 214.284 0.945 20 0 BCADHN CN1CCC(NC(=O)[C@@]2(C)C[C@@H]2F)CC1 ZINC000335046457 385942163 /nfs/dbraw/zinc/94/21/63/385942163.db2.gz CCYNQIHIOPBKGC-ONGXEEELSA-N 0 3 214.284 0.945 20 0 BCADHN Cn1nccc1C1=CCN(CCCO)CC1 ZINC000285575260 385942212 /nfs/dbraw/zinc/94/22/12/385942212.db2.gz KPNBYQQOBIAVLE-UHFFFAOYSA-N 0 3 221.304 0.892 20 0 BCADHN CCN[C@@H](C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000309031925 385942692 /nfs/dbraw/zinc/94/26/92/385942692.db2.gz FIZRPSHNEAFWJM-AEJSXWLSSA-N 0 3 214.309 0.620 20 0 BCADHN CN(CCCN(C)Cc1ccco1)CC(N)=O ZINC000285581059 385944372 /nfs/dbraw/zinc/94/43/72/385944372.db2.gz IOMUTMZJZQYDKN-UHFFFAOYSA-N 0 3 239.319 0.519 20 0 BCADHN Cc1cnn(CCN[C@@H](CO)[C@H]2CCCO2)c1 ZINC000342161552 385949659 /nfs/dbraw/zinc/94/96/59/385949659.db2.gz JANJZYRKAOSCOH-NWDGAFQWSA-N 0 3 239.319 0.321 20 0 BCADHN Cc1cnn(CCN(C[C@H](C)O)[C@@H](C)CO)c1 ZINC000342170100 385949848 /nfs/dbraw/zinc/94/98/48/385949848.db2.gz PQLKJJYMEYFIEK-RYUDHWBXSA-N 0 3 241.335 0.255 20 0 BCADHN CCC1(CO)CCN([C@H]2CCCNC2=O)CC1 ZINC000335052941 385951924 /nfs/dbraw/zinc/95/19/24/385951924.db2.gz ANGZXXUWNZZQHY-NSHDSACASA-N 0 3 240.347 0.750 20 0 BCADHN C[C@@H](NC(=O)NCCCO)C1=CCN(C)CC1 ZINC000272961656 385955351 /nfs/dbraw/zinc/95/53/51/385955351.db2.gz NMOWNKZVLLBLIX-SNVBAGLBSA-N 0 3 241.335 0.318 20 0 BCADHN CNCC(=O)N1CCOc2cccc(F)c2C1 ZINC000335055710 385956312 /nfs/dbraw/zinc/95/63/12/385956312.db2.gz VHCIHLWPWVQYOF-UHFFFAOYSA-N 0 3 238.262 0.766 20 0 BCADHN C[C@@H](CN)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000285703481 385957234 /nfs/dbraw/zinc/95/72/34/385957234.db2.gz QNAPMANTXSCNIW-PWJLMRLQSA-N 0 3 240.328 0.957 20 0 BCADHN CN(Cc1cccn1C)[C@H]1CCN2CCO[C@H]1C2 ZINC000295082752 385961175 /nfs/dbraw/zinc/96/11/75/385961175.db2.gz ILTNPUZDPLJQFB-KBPBESRZSA-N 0 3 249.358 0.930 20 0 BCADHN C[C@@H](NCCCN1CCOCC1)c1ncc[nH]1 ZINC000285769155 385962717 /nfs/dbraw/zinc/96/27/17/385962717.db2.gz SRAODNKMEAKDRF-LLVKDONJSA-N 0 3 238.335 0.783 20 0 BCADHN C[C@H](CO)NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345099352 385994123 /nfs/dbraw/zinc/99/41/23/385994123.db2.gz PBILHICHDPYDHU-UTLUCORTSA-N 0 3 229.324 0.149 20 0 BCADHN CCCN(C[C@@H](O)CC)[C@@H]1CC(=O)N(C)C1=O ZINC000338320500 385966033 /nfs/dbraw/zinc/96/60/33/385966033.db2.gz MDROJSGLHKGYMQ-VHSXEESVSA-N 0 3 242.319 0.227 20 0 BCADHN Cc1cc(C(=O)N(C)C2CCN(C)CC2)cnn1 ZINC000342328786 385966927 /nfs/dbraw/zinc/96/69/27/385966927.db2.gz GUEQTDHWSKRFGO-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN CCCN(CC(=O)NC)C[C@H](OC)C1CC1 ZINC000425403131 385967198 /nfs/dbraw/zinc/96/71/98/385967198.db2.gz HTHUOCLQDQLOTA-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CCC[C@H]1CN(C(=O)C2(N)CCC2)CCO1 ZINC000335015263 385970971 /nfs/dbraw/zinc/97/09/71/385970971.db2.gz NYVDSFRMZWIUMV-JTQLQIEISA-N 0 3 226.320 0.895 20 0 BCADHN CO[C@H](C)CN(C)CCc1ccnn1C ZINC000285848064 385971135 /nfs/dbraw/zinc/97/11/35/385971135.db2.gz WVWRSUQWGWOERJ-SNVBAGLBSA-N 0 3 211.309 0.929 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1nncn1C1CC1 ZINC000285870968 385972302 /nfs/dbraw/zinc/97/23/02/385972302.db2.gz QGIHPNXTNSFJCY-ONEGZZNKSA-N 0 3 235.291 0.669 20 0 BCADHN CCCCN1CCC[C@H](S(=O)(=O)NC)C1 ZINC000365282826 385998129 /nfs/dbraw/zinc/99/81/29/385998129.db2.gz NYNZETSZRSKEHQ-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN CCC[C@@](C)(O)CN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000286144030 386000788 /nfs/dbraw/zinc/00/07/88/386000788.db2.gz PAZIONAONCGPFK-JOYOIKCWSA-N 0 3 239.319 0.972 20 0 BCADHN COCCCCCN1CCN(C[C@@H](C)O)CC1 ZINC000189385176 386001559 /nfs/dbraw/zinc/00/15/59/386001559.db2.gz AYZSMZFGFBKNTF-CYBMUJFWSA-N 0 3 244.379 0.802 20 0 BCADHN COCC[C@](C)(O)CNCc1cc(C)no1 ZINC000309470451 386012012 /nfs/dbraw/zinc/01/20/12/386012012.db2.gz UFMUMNMRVWBYFA-NSHDSACASA-N 0 3 228.292 0.860 20 0 BCADHN COCC[C@@](C)(O)CNCc1cc(C)no1 ZINC000309470450 386012479 /nfs/dbraw/zinc/01/24/79/386012479.db2.gz UFMUMNMRVWBYFA-LLVKDONJSA-N 0 3 228.292 0.860 20 0 BCADHN C[C@@H](CN[C@@H](C)[C@H]1CCCO1)S(C)(=O)=O ZINC000336752360 386012614 /nfs/dbraw/zinc/01/26/14/386012614.db2.gz GUSWGNDABHCAGO-LPEHRKFASA-N 0 3 235.349 0.577 20 0 BCADHN CC(C)[C@@H](N)c1cn(Cc2csnn2)nn1 ZINC000309478420 386013336 /nfs/dbraw/zinc/01/33/36/386013336.db2.gz YVGXDYFWDMMNRV-SECBINFHSA-N 0 3 238.320 0.834 20 0 BCADHN CO[C@H](C)[C@@H](C)NCC1(S(C)(=O)=O)CC1 ZINC000336752355 386013542 /nfs/dbraw/zinc/01/35/42/386013542.db2.gz GGMGASBSIWNYOQ-RKDXNWHRSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@@H](CN[C@@H](C)[C@@H]1CCCO1)S(C)(=O)=O ZINC000336752356 386014066 /nfs/dbraw/zinc/01/40/66/386014066.db2.gz GUSWGNDABHCAGO-GUBZILKMSA-N 0 3 235.349 0.577 20 0 BCADHN CO[C@@H]1CCCC[C@H]1C(=O)NCCN(C)C ZINC000338473142 386014595 /nfs/dbraw/zinc/01/45/95/386014595.db2.gz KWYSXCVODKPKIM-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN COC[C@@H](O)CNCc1cnc2cccc(C)n12 ZINC000338473073 386014865 /nfs/dbraw/zinc/01/48/65/386014865.db2.gz IZNLPVOXKCRJEW-LBPRGKRZSA-N 0 3 249.314 0.740 20 0 BCADHN CCOCCN[C@H](C)c1ccc(=O)[nH]n1 ZINC000336752304 386015789 /nfs/dbraw/zinc/01/57/89/386015789.db2.gz GDDZVKUWZDYCSQ-MRVPVSSYSA-N 0 3 211.265 0.869 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000365300513 386017902 /nfs/dbraw/zinc/01/79/02/386017902.db2.gz NZJDHZZOXYZNLR-BLWPOKMGSA-N 0 3 238.331 0.884 20 0 BCADHN COCC[C@@]1(NCc2c[nH]cn2)CCOC1 ZINC000336770482 386017965 /nfs/dbraw/zinc/01/79/65/386017965.db2.gz SYFPCKXATXYTPJ-LLVKDONJSA-N 0 3 225.292 0.695 20 0 BCADHN COCC[C@@]1(NCc2cnc[nH]2)CCOC1 ZINC000336770482 386017969 /nfs/dbraw/zinc/01/79/69/386017969.db2.gz SYFPCKXATXYTPJ-LLVKDONJSA-N 0 3 225.292 0.695 20 0 BCADHN COC[C@H](O)CNCc1cnc2cc(C)ccn12 ZINC000338485622 386018846 /nfs/dbraw/zinc/01/88/46/386018846.db2.gz XFXNGBKUQBOIPW-GFCCVEGCSA-N 0 3 249.314 0.740 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414178228 386019833 /nfs/dbraw/zinc/01/98/33/386019833.db2.gz HEHNXTXVJJGXEL-UNQZSWDGSA-N 0 3 215.293 0.556 20 0 BCADHN CN(C)C(=O)CN1CCC2(CCOCC2)CC1 ZINC000335071437 386021562 /nfs/dbraw/zinc/02/15/62/386021562.db2.gz JGQBNAPBOJETRS-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN C[C@@]1(CNC(=O)[C@@H]2C[C@@H]2N)CCCS1 ZINC000331814358 386024248 /nfs/dbraw/zinc/02/42/48/386024248.db2.gz BLSAYTDIFMUHFV-WEDXCCLWSA-N 0 3 214.334 0.736 20 0 BCADHN COCCN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000189554961 386025994 /nfs/dbraw/zinc/02/59/94/386025994.db2.gz HNDYUJYVYYBCMA-GHMZBOCLSA-N 0 3 216.325 0.020 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC[C@@](C)(O)C1 ZINC000124324124 386026299 /nfs/dbraw/zinc/02/62/99/386026299.db2.gz FLXGTGGYBANSSF-GXSJLCMTSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@H](CNC(=O)c1cncnc1)N(C)C1CC1 ZINC000273726398 386028285 /nfs/dbraw/zinc/02/82/85/386028285.db2.gz NJSSCLIYHDESHG-SECBINFHSA-N 0 3 234.303 0.689 20 0 BCADHN CO[C@@H](C)CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331820987 386030998 /nfs/dbraw/zinc/03/09/98/386030998.db2.gz ZDVYCWQKGCCFTQ-VHSXEESVSA-N 0 3 241.335 0.557 20 0 BCADHN Cc1ncc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)[nH]1 ZINC000335063170 386031397 /nfs/dbraw/zinc/03/13/97/386031397.db2.gz OUPPQPAPFJJSQL-PSASIEDQSA-N 0 3 236.319 0.931 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@@H]1COC[C@@H]1OC ZINC000414195955 386032060 /nfs/dbraw/zinc/03/20/60/386032060.db2.gz ZKZMOBCMJCJRGK-QEYWKRMJSA-N 0 3 203.282 0.413 20 0 BCADHN CO[C@@H](CN(CC(N)=O)C(C)(C)C)C1CC1 ZINC000425428902 386032440 /nfs/dbraw/zinc/03/24/40/386032440.db2.gz XIPYZIXMKZIJEF-JTQLQIEISA-N 0 3 228.336 0.997 20 0 BCADHN CCO[C@@H]1C[C@H](NCCOC)[C@]12CCCO2 ZINC000309951509 386032595 /nfs/dbraw/zinc/03/25/95/386032595.db2.gz GHKOJRGXLAKGQL-QJPTWQEYSA-N 0 3 229.320 0.949 20 0 BCADHN 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ZINC000334978551 386039221 /nfs/dbraw/zinc/03/92/21/386039221.db2.gz IUOASZKCYCCWQV-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN CC(C)[C@@H](N)c1cn(CC(=O)N2CCC2)nn1 ZINC000309991189 386041899 /nfs/dbraw/zinc/04/18/99/386041899.db2.gz OWUXQJUDYIWYHW-LLVKDONJSA-N 0 3 237.307 0.166 20 0 BCADHN CO[C@@H](CN1CCSC[C@H]1CO)C1CC1 ZINC000425423122 386043503 /nfs/dbraw/zinc/04/35/03/386043503.db2.gz QBTDVRPFDROXQX-MNOVXSKESA-N 0 3 231.361 0.821 20 0 BCADHN CN(C)c1ccncc1C(=O)N1CC(N(C)C)C1 ZINC000273865415 386046212 /nfs/dbraw/zinc/04/62/12/386046212.db2.gz OVYIYVXCQFSOBK-UHFFFAOYSA-N 0 3 248.330 0.534 20 0 BCADHN C[C@H](O)CCN1C[C@@H](C)N(C)C[C@H]1C ZINC000425424682 386047105 /nfs/dbraw/zinc/04/71/05/386047105.db2.gz SOJBVUBRRQWQJP-MXWKQRLJSA-N 0 3 200.326 0.782 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H](O)CC1)N(C)C ZINC000334439222 386048720 /nfs/dbraw/zinc/04/87/20/386048720.db2.gz UOAJNBIPCPIWCL-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCCn1ccnc1 ZINC000286603295 386057581 /nfs/dbraw/zinc/05/75/81/386057581.db2.gz UVOQHWZQQULZFA-JTQLQIEISA-N 0 3 239.323 0.132 20 0 BCADHN CO[C@H](CN1CCN(CCO)[C@H](C)C1)C1CC1 ZINC000425433531 386053535 /nfs/dbraw/zinc/05/35/35/386053535.db2.gz NLBRLOVYENFYON-DGCLKSJQSA-N 0 3 242.363 0.410 20 0 BCADHN CO[C@H](CN1CC[C@H](C)C[C@@H]1C(N)=O)C1CC1 ZINC000425435091 386054330 /nfs/dbraw/zinc/05/43/30/386054330.db2.gz RRGGTXWCPXSXIA-MVWJERBFSA-N 0 3 240.347 0.997 20 0 BCADHN COC(=O)CNC(=O)CN(C)[C@@H](C)C(C)C ZINC000338409261 385995746 /nfs/dbraw/zinc/99/57/46/385995746.db2.gz NXQHIAUSDWHGCA-VIFPVBQESA-N 0 3 230.308 0.252 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N1CCC[C@@H](C)C1 ZINC000073600595 385996239 /nfs/dbraw/zinc/99/62/39/385996239.db2.gz BZNIFWQMYWTPCB-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN CC(C)(F)CNC(=O)[C@H](N)CC(F)F ZINC000638812877 385996656 /nfs/dbraw/zinc/99/66/56/385996656.db2.gz NUDLBHKNIZFTOS-RXMQYKEDSA-N 0 3 212.215 0.833 20 0 BCADHN CO[C@H](C)CCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000417455832 385996864 /nfs/dbraw/zinc/99/68/64/385996864.db2.gz GEIWUHDWHAZCLV-GARJFASQSA-N 0 3 243.351 0.803 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CCO[C@@H](C)C1 ZINC000345313705 386104115 /nfs/dbraw/zinc/10/41/15/386104115.db2.gz RLJDWXZFHDHAPG-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN COC[C@H](CO)N[C@H]1CCCc2c1cnn2C ZINC000234844053 386106937 /nfs/dbraw/zinc/10/69/37/386106937.db2.gz GAVQLAMMCQWFNO-ONGXEEELSA-N 0 3 239.319 0.394 20 0 BCADHN CCN(CCO)CCNCc1ccc(CO)o1 ZINC000274464553 386108631 /nfs/dbraw/zinc/10/86/31/386108631.db2.gz YCCWISWVEACDBP-UHFFFAOYSA-N 0 3 242.319 0.176 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cnn2cccnc12 ZINC000287283419 386109829 /nfs/dbraw/zinc/10/98/29/386109829.db2.gz TZEKEOATCNFPEU-VIFPVBQESA-N 0 3 247.302 0.409 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)C(C)(C)N)C1 ZINC000234858893 386110142 /nfs/dbraw/zinc/11/01/42/386110142.db2.gz LLEACBOCSCOLKX-JGVFFNPUSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1ccccc1F ZINC000054140454 386110729 /nfs/dbraw/zinc/11/07/29/386110729.db2.gz RPDIFFAKDHCDIX-QMMMGPOBSA-N 0 3 246.307 0.699 20 0 BCADHN Cc1ncc(C(=O)N[C@@H](C)CN(C)C)[nH]1 ZINC000287349206 386114997 /nfs/dbraw/zinc/11/49/97/386114997.db2.gz ZMCIKTDKYSAAIT-ZETCQYMHSA-N 0 3 210.281 0.398 20 0 BCADHN CCOCCN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189893711 386115047 /nfs/dbraw/zinc/11/50/47/386115047.db2.gz ITXPRVBSTZBMMN-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN NC(C(=O)NC[C@@H]1CCC[C@H]1O)C(F)(F)F ZINC000353181566 386116472 /nfs/dbraw/zinc/11/64/72/386116472.db2.gz MVJYPLDLEIMXKO-RRKCRQDMSA-N 0 3 240.225 0.153 20 0 BCADHN CCN1CC[C@@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC000338732118 386117160 /nfs/dbraw/zinc/11/71/60/386117160.db2.gz FBZIIRKMQAQDJT-RYUDHWBXSA-N 0 3 248.330 0.776 20 0 BCADHN O=C(NC[C@@H]1CCCOC1)[C@H]1CCCCN1 ZINC000038046063 386120918 /nfs/dbraw/zinc/12/09/18/386120918.db2.gz JYDBAIAIUBKANC-WDEREUQCSA-N 0 3 226.320 0.671 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC[C@H]1CCCOC1 ZINC000038046154 386120940 /nfs/dbraw/zinc/12/09/40/386120940.db2.gz PDDSKFNDOSDMHV-MNOVXSKESA-N 0 3 228.336 0.903 20 0 BCADHN CC[C@H](C(=O)N(CC)CCOC)N(C)C ZINC000343173299 386120960 /nfs/dbraw/zinc/12/09/60/386120960.db2.gz JKCLXLUYBAKAHZ-SNVBAGLBSA-N 0 3 216.325 0.822 20 0 BCADHN CS(=O)(=O)CCCNCc1ccncc1 ZINC000038047058 386121298 /nfs/dbraw/zinc/12/12/98/386121298.db2.gz STEGGOLSCBVYCZ-UHFFFAOYSA-N 0 3 228.317 0.606 20 0 BCADHN COCCO[C@@H]1CCN(CCCNC(C)=O)C1 ZINC000189681250 386060715 /nfs/dbraw/zinc/06/07/15/386060715.db2.gz JASGHGWNBXINJP-GFCCVEGCSA-N 0 3 244.335 0.250 20 0 BCADHN CN1CCC(C(=O)NCC2CCOCC2)CC1 ZINC000345204462 386061074 /nfs/dbraw/zinc/06/10/74/386061074.db2.gz ONFNHFBDUKYKKA-UHFFFAOYSA-N 0 3 240.347 0.871 20 0 BCADHN CC(=O)C1(C(=O)NCC(C)(C)N(C)C)CC1 ZINC000338576271 386062291 /nfs/dbraw/zinc/06/22/91/386062291.db2.gz KNOXGZLJYFSYAZ-UHFFFAOYSA-N 0 3 226.320 0.812 20 0 BCADHN CC[C@H]1CN([C@H]2CCN(C)C2=O)CCCO1 ZINC000334442892 386062559 /nfs/dbraw/zinc/06/25/59/386062559.db2.gz DERNADQZJQSWKV-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN CO[C@H](CN1C[C@@H](OC)[C@H](OC)C1)C1CC1 ZINC000425437828 386062659 /nfs/dbraw/zinc/06/26/59/386062659.db2.gz BYYUVHYBHUZUAF-IJLUTSLNSA-N 0 3 229.320 0.757 20 0 BCADHN CNC(=O)N[C@H]1CCN(C[C@H](OC)C2CC2)C1 ZINC000425437564 386063508 /nfs/dbraw/zinc/06/35/08/386063508.db2.gz YXNLZXBAJSIGTN-QWRGUYRKSA-N 0 3 241.335 0.415 20 0 BCADHN CN(CCC(N)=O)Cc1ccc(CO)cc1 ZINC000286661603 386064446 /nfs/dbraw/zinc/06/44/46/386064446.db2.gz ZXFMXYCKAZSUEA-UHFFFAOYSA-N 0 3 222.288 0.486 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000355324932 386064819 /nfs/dbraw/zinc/06/48/19/386064819.db2.gz SAYYPXRWQVFJSF-LPEHRKFASA-N 0 3 231.340 0.659 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CCC(=O)NC1(C)C ZINC000338592317 386065633 /nfs/dbraw/zinc/06/56/33/386065633.db2.gz KWCUAVXFDXFUPN-VIFPVBQESA-N 0 3 241.335 0.112 20 0 BCADHN C[C@H](O)CCN1CC[C@H](NC(=O)NC2CC2)C1 ZINC000425431716 386068961 /nfs/dbraw/zinc/06/89/61/386068961.db2.gz IRVLNPLAEBEIBP-ONGXEEELSA-N 0 3 241.335 0.293 20 0 BCADHN CN([C@@H]1CCNC1=O)[C@@H]1CCCC[C@@H]1O ZINC000338598793 386069835 /nfs/dbraw/zinc/06/98/35/386069835.db2.gz KBFAQRYUADGVLV-BBBLOLIVSA-N 0 3 212.293 0.110 20 0 BCADHN C[C@@H](O)CCN1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000425431715 386069874 /nfs/dbraw/zinc/06/98/74/386069874.db2.gz IRVLNPLAEBEIBP-MWLCHTKSSA-N 0 3 241.335 0.293 20 0 BCADHN NS(=O)(=O)CCCN1C[C@H]2CCCCC[C@H]21 ZINC000366100323 386080474 /nfs/dbraw/zinc/08/04/74/386080474.db2.gz YUVGIDXYGFADCC-GHMZBOCLSA-N 0 3 246.376 0.930 20 0 BCADHN CC(=O)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000334446368 386082093 /nfs/dbraw/zinc/08/20/93/386082093.db2.gz KKODYRNYXNSMJQ-LBPRGKRZSA-N 0 3 226.320 0.577 20 0 BCADHN Cc1cccc(NC(=O)C(=O)N(C)[C@H](C)CN)c1 ZINC000415422184 386082510 /nfs/dbraw/zinc/08/25/10/386082510.db2.gz WIUHMXDSKBBYJD-SNVBAGLBSA-N 0 3 249.314 0.739 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)COc1cccnc1 ZINC000286918809 386082605 /nfs/dbraw/zinc/08/26/05/386082605.db2.gz IFWYPHTYXFNZOK-JTQLQIEISA-N 0 3 237.303 0.527 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Cc1ncccc1F ZINC000286912880 386083287 /nfs/dbraw/zinc/08/32/87/386083287.db2.gz HTLZROJNKQFEFU-VIFPVBQESA-N 0 3 239.294 0.830 20 0 BCADHN Cc1nc(C)c(C(=O)N[C@@H](C)CN(C)C)o1 ZINC000286921644 386084013 /nfs/dbraw/zinc/08/40/13/386084013.db2.gz ILINCNNKGGXXIG-ZETCQYMHSA-N 0 3 225.292 0.971 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCO[C@H](C)C1)N(C)C ZINC000345261602 386084070 /nfs/dbraw/zinc/08/40/70/386084070.db2.gz GEZGCPUCHZOEEW-GMTAPVOTSA-N 0 3 228.336 0.868 20 0 BCADHN CC(C(=O)N1CC(C2CCC2)C1)S(C)(=O)=O ZINC000335103672 386084067 /nfs/dbraw/zinc/08/40/67/386084067.db2.gz UCFKOLHVAFVGGL-MRVPVSSYSA-N 0 3 245.344 0.678 20 0 BCADHN COCCO[C@@H]1CCN(CCCCO)C1 ZINC000189740852 386084832 /nfs/dbraw/zinc/08/48/32/386084832.db2.gz IZJGOPPGALJWDJ-LLVKDONJSA-N 0 3 217.309 0.496 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCO[C@H](C)C1)N(C)C ZINC000345261603 386085059 /nfs/dbraw/zinc/08/50/59/386085059.db2.gz GEZGCPUCHZOEEW-HBNTYKKESA-N 0 3 228.336 0.868 20 0 BCADHN CCN(C)CCNC(=O)NCC1=CCCOC1 ZINC000287012529 386088529 /nfs/dbraw/zinc/08/85/29/386088529.db2.gz FTSFCUKKLIMDJZ-UHFFFAOYSA-N 0 3 241.335 0.584 20 0 BCADHN Cc1nccn1CCN1CCN(C)C[C@@H]1C ZINC000334451042 386088989 /nfs/dbraw/zinc/08/89/89/386088989.db2.gz UOFFRXHVJHRLKX-NSHDSACASA-N 0 3 222.336 0.827 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000334450973 386089067 /nfs/dbraw/zinc/08/90/67/386089067.db2.gz UJFQKGZOJHPJOX-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN CS[C@H](C)CNC(=O)C(N)C(F)(F)F ZINC000336772856 386089160 /nfs/dbraw/zinc/08/91/60/386089160.db2.gz YKLJJVVENGVNDN-RFZPGFLSSA-N 0 3 230.255 0.744 20 0 BCADHN COC[C@@H](O)CCNCc1cnccc1C ZINC000234712032 386090982 /nfs/dbraw/zinc/09/09/82/386090982.db2.gz ZEUMVSPNGNUQPM-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN Cc1cnc(CNCCC[C@@H](C)O)n1C ZINC000336772961 386092306 /nfs/dbraw/zinc/09/23/06/386092306.db2.gz YGHFWQAPIRUGBL-SNVBAGLBSA-N 0 3 211.309 0.979 20 0 BCADHN C[C@@H](CO)N(C)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000338660107 386093323 /nfs/dbraw/zinc/09/33/23/386093323.db2.gz LZBRXYGLBIZLDN-HBNTYKKESA-N 0 3 243.351 0.491 20 0 BCADHN CCc1nc(C(=O)NC2CCN(C)CC2)no1 ZINC000408331496 386098457 /nfs/dbraw/zinc/09/84/57/386098457.db2.gz XSWCDNKJFZKKCZ-UHFFFAOYSA-N 0 3 238.291 0.456 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)C2(O)CCCC2)C1 ZINC000334459295 386100222 /nfs/dbraw/zinc/10/02/22/386100222.db2.gz SEWPHNPWNJUQJJ-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@H]1C[C@@H](CNC2(C(N)=O)CC2)CCO1 ZINC000336729588 386147349 /nfs/dbraw/zinc/14/73/49/386147349.db2.gz HUDPNWYPPZWQKE-UWVGGRQHSA-N 0 3 226.320 0.799 20 0 BCADHN C[C@@H](O)CCN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000425478834 386148686 /nfs/dbraw/zinc/14/86/86/386148686.db2.gz NFBFRDXUOKLVHN-WOPDTQHZSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@@H](N[C@H]1CCCNC(=O)C1)c1cnn(C)c1 ZINC000310169812 386150915 /nfs/dbraw/zinc/15/09/15/386150915.db2.gz OVCXEQJEYLBWPG-KOLCDFICSA-N 0 3 236.319 0.739 20 0 BCADHN C[C@H](O)CCN1C[C@@H](C)N(CCO)C[C@H]1C ZINC000425483200 386153239 /nfs/dbraw/zinc/15/32/39/386153239.db2.gz UNICJPOUENQZND-UTUOFQBUSA-N 0 3 230.352 0.144 20 0 BCADHN CCc1cccc(NC(=O)C(=O)N(C)CCN)c1 ZINC000415877601 386153939 /nfs/dbraw/zinc/15/39/39/386153939.db2.gz JHWNVESMILDLQZ-UHFFFAOYSA-N 0 3 249.314 0.605 20 0 BCADHN CSC[C@H](O)CN[C@H](C(N)=O)C(C)(C)C ZINC000188056356 386156559 /nfs/dbraw/zinc/15/65/59/386156559.db2.gz DEGPGDFAQJWYOH-HTQZYQBOSA-N 0 3 234.365 0.200 20 0 BCADHN CCOCCO[C@@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000346127612 386158796 /nfs/dbraw/zinc/15/87/96/386158796.db2.gz CKEFLODQRUDSLD-QWRGUYRKSA-N 0 3 246.351 0.494 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@H](C)CN(C)C ZINC000346173478 386160372 /nfs/dbraw/zinc/16/03/72/386160372.db2.gz XOUHVNVCCPIZEH-BDAKNGLRSA-N 0 3 202.298 0.070 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@]1(C)CCCOC1 ZINC000346176696 386160674 /nfs/dbraw/zinc/16/06/74/386160674.db2.gz ZJMPTGUUWSPDCH-CMPLNLGQSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCCOC1 ZINC000346179189 386160908 /nfs/dbraw/zinc/16/09/08/386160908.db2.gz GXUWHTWZWOOIRO-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN COC1(C(=O)N[C@@H](C)CN(C)C)CCOCC1 ZINC000346177462 386160993 /nfs/dbraw/zinc/16/09/93/386160993.db2.gz ANZKWAZUUWGZLH-JTQLQIEISA-N 0 3 244.335 0.248 20 0 BCADHN C[C@H](CN(C)C)NC(=O)COC1CCOCC1 ZINC000346135091 386163014 /nfs/dbraw/zinc/16/30/14/386163014.db2.gz CIJPYGDZMKKFRG-SNVBAGLBSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1cccnc1 ZINC000346185471 386163093 /nfs/dbraw/zinc/16/30/93/386163093.db2.gz DQXHNWVKBMVBFD-SECBINFHSA-N 0 3 207.277 0.762 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CCOC[C@@H]1C ZINC000346132706 386163434 /nfs/dbraw/zinc/16/34/34/386163434.db2.gz AHSIFVGBLQAERY-HBNTYKKESA-N 0 3 228.336 0.725 20 0 BCADHN C[C@H](CN(C)C)NC(=O)CCCn1cccn1 ZINC000346133839 386164301 /nfs/dbraw/zinc/16/43/01/386164301.db2.gz JUJQOHWJUQJAHU-LLVKDONJSA-N 0 3 238.335 0.730 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCCN1C1CC1 ZINC000346139734 386165213 /nfs/dbraw/zinc/16/52/13/386165213.db2.gz OMTCGVZTZUKKIL-CMPLNLGQSA-N 0 3 239.363 0.680 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1C[C@@]12CCOC2 ZINC000346139789 386165528 /nfs/dbraw/zinc/16/55/28/386165528.db2.gz OVQMJZJPKQGVJX-CKYFFXLPSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@H](O)CCN1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000425487582 386165764 /nfs/dbraw/zinc/16/57/64/386165764.db2.gz VQHULIPRRDXICJ-SDDRHHMPSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@H](CN(C)C)NC(=O)C[C@H]1CCCC[C@@H]1O ZINC000346141252 386165949 /nfs/dbraw/zinc/16/59/49/386165949.db2.gz QNZNEFIYOHBWCB-UTUOFQBUSA-N 0 3 242.363 0.994 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000346141774 386166305 /nfs/dbraw/zinc/16/63/05/386166305.db2.gz RJYATBBAACWZIA-NWDGAFQWSA-N 0 3 241.379 0.927 20 0 BCADHN CSCCCN1CCc2n[nH]c(=O)cc2C1 ZINC000274974114 386168223 /nfs/dbraw/zinc/16/82/23/386168223.db2.gz LCWKTJPWNIFKKQ-UHFFFAOYSA-N 0 3 239.344 0.881 20 0 BCADHN CCC[C@](C)(O)C(=O)N[C@@H](C)CN(C)C ZINC000346156365 386168972 /nfs/dbraw/zinc/16/89/72/386168972.db2.gz JWCMVHALGMLZLU-ONGXEEELSA-N 0 3 216.325 0.604 20 0 BCADHN CC[C@@H](C(=O)NCC1=CCCOC1)N(C)C ZINC000288113974 386169121 /nfs/dbraw/zinc/16/91/21/386169121.db2.gz TVZHRFKXSBRKMH-NSHDSACASA-N 0 3 226.320 0.790 20 0 BCADHN CO[C@H](CN(C)C(C)(C)C(N)=O)C1CC1 ZINC000425488472 386169893 /nfs/dbraw/zinc/16/98/93/386169893.db2.gz WXPQJWVIVPIINN-SECBINFHSA-N 0 3 214.309 0.607 20 0 BCADHN CN1C[C@H](NCc2ccc(CO)cc2)CC1=O ZINC000310291798 386170508 /nfs/dbraw/zinc/17/05/08/386170508.db2.gz RSFNSLYOQBCHSC-GFCCVEGCSA-N 0 3 234.299 0.499 20 0 BCADHN COC[C@@H](C)CC(=O)N[C@@H](C)CN(C)C ZINC000346170568 386173587 /nfs/dbraw/zinc/17/35/87/386173587.db2.gz WJWIOGQEBGTKID-UWVGGRQHSA-N 0 3 216.325 0.725 20 0 BCADHN NC(=O)[C@H]1CCCN1C[C@@H](O)C1CCCCC1 ZINC000190333592 386174298 /nfs/dbraw/zinc/17/42/98/386174298.db2.gz VHQYTMVTERUWKX-VXGBXAGGSA-N 0 3 240.347 0.877 20 0 BCADHN C[C@H](CN(C)C)NC(=O)Cc1ccncc1 ZINC000346170214 386174567 /nfs/dbraw/zinc/17/45/67/386174567.db2.gz HFMOUCWGXFHXOF-SNVBAGLBSA-N 0 3 221.304 0.690 20 0 BCADHN Cc1nnc(CN2CCN(C)C[C@@H]2C(C)C)[nH]1 ZINC000425483558 386174866 /nfs/dbraw/zinc/17/48/66/386174866.db2.gz RHXHIUCGKUWMPH-LLVKDONJSA-N 0 3 237.351 0.885 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCCO1 ZINC000346220501 386175340 /nfs/dbraw/zinc/17/53/40/386175340.db2.gz LCAISFPDRHWHPU-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCCNC2=O)CC[C@@H]1O ZINC000164626344 386176112 /nfs/dbraw/zinc/17/61/12/386176112.db2.gz FXCFJKFWQIGWCR-MXWKQRLJSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CCCO1 ZINC000346220499 386176345 /nfs/dbraw/zinc/17/63/45/386176345.db2.gz LCAISFPDRHWHPU-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@H](C)[C@@H]1CO ZINC000346240743 386179635 /nfs/dbraw/zinc/17/96/35/386179635.db2.gz LWESDGFKOXIHGK-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CCSC1 ZINC000346234968 386179898 /nfs/dbraw/zinc/17/98/98/386179898.db2.gz XALGZHOJGMIAPI-RKDXNWHRSA-N 0 3 216.350 0.806 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@]1(C)CCCO1 ZINC000346187656 386181018 /nfs/dbraw/zinc/18/10/18/386181018.db2.gz FJEWOFOXZPKXNW-MWLCHTKSSA-N 0 3 214.309 0.622 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)CN(C)C ZINC000346187619 386182144 /nfs/dbraw/zinc/18/21/44/386182144.db2.gz FHHYKDREZGACTB-JTQLQIEISA-N 0 3 215.341 0.395 20 0 BCADHN COC[C@H](C)N1CCC[C@H](n2ccnn2)C1 ZINC000425499714 386182717 /nfs/dbraw/zinc/18/27/17/386182717.db2.gz JSQXXUHVAUPRPQ-QWRGUYRKSA-N 0 3 224.308 0.950 20 0 BCADHN OCCCCN1CCC[C@H](n2ccnn2)C1 ZINC000425501342 386183175 /nfs/dbraw/zinc/18/31/75/386183175.db2.gz OBTGFWSEMFZNLT-NSHDSACASA-N 0 3 224.308 0.688 20 0 BCADHN C[C@H](CN(C)C)NC(=O)C1=CCOCC1 ZINC000346277502 386186464 /nfs/dbraw/zinc/18/64/64/386186464.db2.gz UDDMIEMJWHVYGE-SECBINFHSA-N 0 3 212.293 0.399 20 0 BCADHN O=C1NCC[C@H]1N1CCC2(CCOCC2)CC1 ZINC000334465613 386126481 /nfs/dbraw/zinc/12/64/81/386126481.db2.gz UOAJBVGLQKUDHR-LLVKDONJSA-N 0 3 238.331 0.768 20 0 BCADHN CC/C=C(\C)C(=O)NCCN(CC)CCO ZINC000274606097 386126644 /nfs/dbraw/zinc/12/66/44/386126644.db2.gz YEEQNTPZNOGADL-IZZDOVSWSA-N 0 3 228.336 0.773 20 0 BCADHN Cc1nc(C(=O)N(C)CCN(C)C2CC2)c[nH]1 ZINC000274604771 386126678 /nfs/dbraw/zinc/12/66/78/386126678.db2.gz UZLHYXCXNYMSDH-UHFFFAOYSA-N 0 3 236.319 0.884 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@@](F)(CO)C1)N(C)C ZINC000338762013 386132317 /nfs/dbraw/zinc/13/23/17/386132317.db2.gz LWWOCQNFESZLCV-PWSUYJOCSA-N 0 3 246.326 0.506 20 0 BCADHN CO[C@H](CN[C@@H]1COC[C@@H]1OC)C1CC1 ZINC000425471279 386133373 /nfs/dbraw/zinc/13/33/73/386133373.db2.gz HUTKZAOZQKDPCP-MXWKQRLJSA-N 0 3 215.293 0.415 20 0 BCADHN CN(C)CCN(C)C(=O)NCC[C@H]1CCOC1 ZINC000345864538 386134111 /nfs/dbraw/zinc/13/41/11/386134111.db2.gz SQCSMVQZWGRBLR-NSHDSACASA-N 0 3 243.351 0.616 20 0 BCADHN CNC(=O)NC(=O)CCN1C[C@@H](C)[C@@H]1C ZINC000334464960 386137316 /nfs/dbraw/zinc/13/73/16/386137316.db2.gz BYVIZMOHHLODGV-SFYZADRCSA-N 0 3 213.281 0.172 20 0 BCADHN C[C@@]1(F)CNCCN(C(=O)C2(N)CCC2)C1 ZINC000335341544 386189345 /nfs/dbraw/zinc/18/93/45/386189345.db2.gz LJQJHARCHUBGEX-SNVBAGLBSA-N 0 3 229.299 0.028 20 0 BCADHN CN(C)c1ccc(NC(=O)C2(N)CCC2)nc1 ZINC000296117903 386139568 /nfs/dbraw/zinc/13/95/68/386139568.db2.gz SVYBCMWYWIYQHO-UHFFFAOYSA-N 0 3 234.303 0.968 20 0 BCADHN C[C@@H]1CN(c2cncc3nncn32)C[C@@H](C)N1C ZINC000338781938 386139672 /nfs/dbraw/zinc/13/96/72/386139672.db2.gz BHFBCPGMQUKVBV-NXEZZACHSA-N 0 3 246.318 0.653 20 0 BCADHN CC[C@@H](O)C[NH+]1CCC(c2nnc[n-]2)CC1 ZINC000083690918 386141839 /nfs/dbraw/zinc/14/18/39/386141839.db2.gz FSNHVOCRWRDRCH-SNVBAGLBSA-N 0 3 224.308 0.755 20 0 BCADHN C[C@H](CNC(=O)c1ccncn1)N(C)C1CC1 ZINC000275319989 386201102 /nfs/dbraw/zinc/20/11/02/386201102.db2.gz OJKMBWZTJLQSRZ-SECBINFHSA-N 0 3 234.303 0.689 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCCOC1)N(C)C ZINC000340551177 386207455 /nfs/dbraw/zinc/20/74/55/386207455.db2.gz PGLBLDUCLUECEZ-NXEZZACHSA-N 0 3 214.309 0.479 20 0 BCADHN CC[C@@H](C(=O)NCCN1CCC1)N(C)C ZINC000339010847 386208755 /nfs/dbraw/zinc/20/87/55/386208755.db2.gz MGYPIWMCTNFXTO-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN CC(C)C(=O)NCCN(C)C[C@H](O)C(C)C ZINC000340289624 386218583 /nfs/dbraw/zinc/21/85/83/386218583.db2.gz RGFHMBUTCYDFBN-NSHDSACASA-N 0 3 230.352 0.707 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)c1ncn(C)n1 ZINC000275523116 386219140 /nfs/dbraw/zinc/21/91/40/386219140.db2.gz JKADBZANJIFREG-VIFPVBQESA-N 0 3 239.323 0.334 20 0 BCADHN C[C@H](NC(=O)[C@H]1C[C@H](F)CN1)c1cn[nH]c1 ZINC000275558694 386221867 /nfs/dbraw/zinc/22/18/67/386221867.db2.gz VDVBNZZPAJBGPD-CNUIFLNQSA-N 0 3 226.255 0.287 20 0 BCADHN Cc1nnc(N2CC[C@@]3(CCN(C)C3)C2)o1 ZINC000366244029 386224818 /nfs/dbraw/zinc/22/48/18/386224818.db2.gz SKLYGJBWNUETPR-LLVKDONJSA-N 0 3 222.292 0.910 20 0 BCADHN CCCCN(CC)[C@@H](C)C(=O)NC(N)=O ZINC000131821294 386225054 /nfs/dbraw/zinc/22/50/54/386225054.db2.gz NJDPVEIRAVCVSD-QMMMGPOBSA-N 0 3 215.297 0.692 20 0 BCADHN CCCCN(CC)[C@H](C)C(=O)NC(=O)NC ZINC000131802020 386225439 /nfs/dbraw/zinc/22/54/39/386225439.db2.gz VEBJIDPYLRUXJV-SECBINFHSA-N 0 3 229.324 0.953 20 0 BCADHN CCCCN(CC)[C@@H](C)C(=O)NC(=O)NC ZINC000131801770 386225578 /nfs/dbraw/zinc/22/55/78/386225578.db2.gz VEBJIDPYLRUXJV-VIFPVBQESA-N 0 3 229.324 0.953 20 0 BCADHN CCS(=O)(=O)NCCN1C[C@H](C)C[C@@H]1C ZINC000336649105 386260262 /nfs/dbraw/zinc/26/02/62/386260262.db2.gz QIAQQQINGREFFG-ZJUUUORDSA-N 0 3 234.365 0.656 20 0 BCADHN CO[C@@H](C)CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000190514401 386230295 /nfs/dbraw/zinc/23/02/95/386230295.db2.gz CJSQMIDCPKRCNY-ZJUUUORDSA-N 0 3 243.351 0.803 20 0 BCADHN CSC1(CN2CCC[C@@H]2C(N)=O)CC1 ZINC000340562738 386231153 /nfs/dbraw/zinc/23/11/53/386231153.db2.gz FGFMQMAHXMMFLN-MRVPVSSYSA-N 0 3 214.334 0.832 20 0 BCADHN Cc1nonc1C(=O)NCC1(N(C)C)CCC1 ZINC000276007474 386260366 /nfs/dbraw/zinc/26/03/66/386260366.db2.gz PHJPHZGTVSDJJE-UHFFFAOYSA-N 0 3 238.291 0.592 20 0 BCADHN CN(C)C1(CNC(=O)c2ccncn2)CCC1 ZINC000275706233 386232417 /nfs/dbraw/zinc/23/24/17/386232417.db2.gz BZCDRFQYSQWKCO-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN CCc1n[nH]cc1C(=O)NC[C@H]1CCCN1C ZINC000264385425 386232514 /nfs/dbraw/zinc/23/25/14/386232514.db2.gz HAHUNPQWYMNGFS-SECBINFHSA-N 0 3 236.319 0.796 20 0 BCADHN CC(C)NCC(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000638630535 386234485 /nfs/dbraw/zinc/23/44/85/386234485.db2.gz RXRURAQBSMKFLA-GMOBBJLQSA-N 0 3 228.336 0.913 20 0 BCADHN CCN(C)CCNC(=O)c1cc[n+]([O-])cc1 ZINC000264445892 386236578 /nfs/dbraw/zinc/23/65/78/386236578.db2.gz UOBWAOLKYNIEAE-UHFFFAOYSA-N 0 3 223.276 0.002 20 0 BCADHN CCCCCN1CCN(C(=O)CN(C)C)CC1 ZINC000118000412 386240627 /nfs/dbraw/zinc/24/06/27/386240627.db2.gz UJKAMALAPWHOFY-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN Cc1cnc(C(=O)NCC2(N(C)C)CC2)cn1 ZINC000416290776 386242432 /nfs/dbraw/zinc/24/24/32/386242432.db2.gz MZELSCKXUDCYPY-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN CC(C)N(Cc1ccco1)C[C@H](O)CO ZINC000336644017 386244858 /nfs/dbraw/zinc/24/48/58/386244858.db2.gz 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0.384 20 0 BCADHN C[C@@H](C(=O)Nn1cnnc1)N1[C@H](C)CC[C@H]1C ZINC000275951766 386255019 /nfs/dbraw/zinc/25/50/19/386255019.db2.gz KWBJCQWPDVUCSN-BBBLOLIVSA-N 0 3 237.307 0.610 20 0 BCADHN CN(CCC(N)=O)CCN(C)c1ccccc1 ZINC000264639149 386256945 /nfs/dbraw/zinc/25/69/45/386256945.db2.gz VNIIUPMZYNCAIK-UHFFFAOYSA-N 0 3 235.331 0.930 20 0 BCADHN CN(C)C1(CNC(=O)c2ccon2)CCC1 ZINC000275991854 386257475 /nfs/dbraw/zinc/25/74/75/386257475.db2.gz NOSGJRDEHCURNE-UHFFFAOYSA-N 0 3 223.276 0.889 20 0 BCADHN C[C@@H]1OCC[C@H]1N[C@H]1CNCCC1(F)F ZINC000414997249 386191943 /nfs/dbraw/zinc/19/19/43/386191943.db2.gz HGZWCOJWSOXPTM-YIZRAAEISA-N 0 3 220.263 0.751 20 0 BCADHN CC[C@@H](C(=O)N(C)Cc1ncc[nH]1)N(C)C ZINC000338971432 386192351 /nfs/dbraw/zinc/19/23/51/386192351.db2.gz GFCFWMWWDRTVTC-VIFPVBQESA-N 0 3 224.308 0.708 20 0 BCADHN C[C@@H](CNC(=O)COc1cccnc1)N(C)C ZINC000263934692 386193073 /nfs/dbraw/zinc/19/30/73/386193073.db2.gz DZCRPMCWTFFTHZ-JTQLQIEISA-N 0 3 237.303 0.527 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1cccc(CO)c1 ZINC000225421931 386193967 /nfs/dbraw/zinc/19/39/67/386193967.db2.gz PEVOAOWQSIAEIU-GFCCVEGCSA-N 0 3 236.315 0.778 20 0 BCADHN CCC[C@@H]1CN(C[C@@H](C)O)CCN1C[C@@H](C)O ZINC000340282625 386195657 /nfs/dbraw/zinc/19/56/57/386195657.db2.gz KZBKANRSUHBHJY-JHJVBQTASA-N 0 3 244.379 0.534 20 0 BCADHN NS(=O)(=O)C[C@@H]1CCCN1CCCF ZINC000408353529 386199543 /nfs/dbraw/zinc/19/95/43/386199543.db2.gz BWCLXNSPRQVHKM-QMMMGPOBSA-N 0 3 224.301 0.099 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H](C(=O)OC)[C@H]1C ZINC000347200571 386282222 /nfs/dbraw/zinc/28/22/22/386282222.db2.gz JTGOCXHHSRBXQX-IWSPIJDZSA-N 0 3 228.292 0.134 20 0 BCADHN CC(C)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188192929 386282564 /nfs/dbraw/zinc/28/25/64/386282564.db2.gz UYNITNJJWLZMRA-DTWKUNHWSA-N 0 3 202.273 0.849 20 0 BCADHN CN(CCNC(=O)NCc1cccnc1)C1CC1 ZINC000264882080 386282790 /nfs/dbraw/zinc/28/27/90/386282790.db2.gz RDZZAHPFJQFTOR-UHFFFAOYSA-N 0 3 248.330 0.975 20 0 BCADHN C[C@@H](O)CN(CCOC1CCC1)[C@@H](C)CO ZINC000347199748 386282962 /nfs/dbraw/zinc/28/29/62/386282962.db2.gz NHBPITMGZBEBNR-WDEREUQCSA-N 0 3 231.336 0.619 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@H](CO)C1 ZINC000340312780 386284317 /nfs/dbraw/zinc/28/43/17/386284317.db2.gz BNKUFWNXKLAERV-JTQLQIEISA-N 0 3 214.309 0.167 20 0 BCADHN Cc1cc(C(=O)N2CCC[C@@H]2CN(C)C)cnn1 ZINC000276446502 386324280 /nfs/dbraw/zinc/32/42/80/386324280.db2.gz YXCAIHFXROTSDW-GFCCVEGCSA-N 0 3 248.330 0.951 20 0 BCADHN CN(CCn1cccn1)C(=O)[C@@H]1CCCN1C ZINC000264946285 386286116 /nfs/dbraw/zinc/28/61/16/386286116.db2.gz SGOHIXLXHWRQMY-NSHDSACASA-N 0 3 236.319 0.436 20 0 BCADHN CN(CCn1cccn1)C(=O)[C@H]1CCCN1C ZINC000264946282 386286339 /nfs/dbraw/zinc/28/63/39/386286339.db2.gz SGOHIXLXHWRQMY-LLVKDONJSA-N 0 3 236.319 0.436 20 0 BCADHN C[C@@H](c1nncn1C)N(C)CCN(C)C1CC1 ZINC000347214944 386286524 /nfs/dbraw/zinc/28/65/24/386286524.db2.gz XFAKUWGMJRIOLK-JTQLQIEISA-N 0 3 237.351 0.902 20 0 BCADHN CO[C@@H]1CCN(CCn2cncn2)[C@@H](C)C1 ZINC000336664832 386286638 /nfs/dbraw/zinc/28/66/38/386286638.db2.gz HKDYAWDQFKSESA-WDEREUQCSA-N 0 3 224.308 0.777 20 0 BCADHN Cn1ccc(CNCCC[S@@](C)=O)c1 ZINC000125631560 386287118 /nfs/dbraw/zinc/28/71/18/386287118.db2.gz PLHPSLFSIIVSCP-AWEZNQCLSA-N 0 3 214.334 0.883 20 0 BCADHN CSCC[C@@H](N[C@@H]1CCOC1)C(=O)N(C)C ZINC000336665172 386287425 /nfs/dbraw/zinc/28/74/25/386287425.db2.gz DYGYTYGWDYHCGO-NXEZZACHSA-N 0 3 246.376 0.575 20 0 BCADHN CC(C)(C)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343207564 386287536 /nfs/dbraw/zinc/28/75/36/386287536.db2.gz ZENQHMDOOASTHN-LLVKDONJSA-N 0 3 239.363 0.539 20 0 BCADHN CC[C@H](O)CN1CCN(C(C)(C)COC)CC1 ZINC000425513269 386287790 /nfs/dbraw/zinc/28/77/90/386287790.db2.gz ZJNKIWMGWCAPSE-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN COCC(C)(C)N1CCN(CC[C@H](C)O)CC1 ZINC000425511997 386288687 /nfs/dbraw/zinc/28/86/87/386288687.db2.gz XPUOCZXPTQNHHF-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN C[C@H](O)CN1CCC[C@H](n2ccnn2)C1 ZINC000425515181 386289260 /nfs/dbraw/zinc/28/92/60/386289260.db2.gz QOLMKSMRCRPROA-UWVGGRQHSA-N 0 3 210.281 0.296 20 0 BCADHN COCCCN(CCO)CCOC1CCC1 ZINC000347223119 386290309 /nfs/dbraw/zinc/29/03/09/386290309.db2.gz KGJRZSQAJRFRRZ-UHFFFAOYSA-N 0 3 231.336 0.886 20 0 BCADHN CCCN(CCC(C)(C)O)CC(=O)NC ZINC000347290099 386291486 /nfs/dbraw/zinc/29/14/86/386291486.db2.gz VIMPJQYZIARPGI-UHFFFAOYSA-N 0 3 216.325 0.605 20 0 BCADHN CC/C=C/CNC(=O)NCCN(CC)CCO ZINC000298009445 386292929 /nfs/dbraw/zinc/29/29/29/386292929.db2.gz DSXMIKZBMQKECX-AATRIKPKSA-N 0 3 243.351 0.566 20 0 BCADHN CO[C@@H]1CN(CCOCC2CC2)C[C@H]1OC ZINC000336667975 386295023 /nfs/dbraw/zinc/29/50/23/386295023.db2.gz OSLMDUHBPSMWBR-VXGBXAGGSA-N 0 3 229.320 0.759 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CCCCO2)C[C@@H]1OC ZINC000336667954 386296158 /nfs/dbraw/zinc/29/61/58/386296158.db2.gz OIJMGFYRFBQFAR-SDDRHHMPSA-N 0 3 229.320 0.901 20 0 BCADHN C[C@H](O)CN1CC[C@H](COC(F)F)C1 ZINC000339193364 386296762 /nfs/dbraw/zinc/29/67/62/386296762.db2.gz CXUFEJMRSSCOPE-YUMQZZPRSA-N 0 3 209.236 0.928 20 0 BCADHN CC(=O)c1cc(C(=O)N[C@H](CN)C2CC2)n(C)c1 ZINC000236652350 386298801 /nfs/dbraw/zinc/29/88/01/386298801.db2.gz SIBACZJNRNTOBI-LLVKDONJSA-N 0 3 249.314 0.695 20 0 BCADHN CO[C@H](C)CN1CCSC[C@@H]1CO ZINC000336660976 386300191 /nfs/dbraw/zinc/30/01/91/386300191.db2.gz VLZRMFSWRRLEFF-BDAKNGLRSA-N 0 3 205.323 0.431 20 0 BCADHN Cn1nnc2cc(CN3CC[C@H](CO)C3)ccc21 ZINC000331937268 386300728 /nfs/dbraw/zinc/30/07/28/386300728.db2.gz WXRDUUPNMJHVQK-NSHDSACASA-N 0 3 246.314 0.783 20 0 BCADHN OC[C@H]1CC[C@H](CO)N1CCOCC1CC1 ZINC000347299060 386301294 /nfs/dbraw/zinc/30/12/94/386301294.db2.gz XXSCSHCDZZMTSF-VXGBXAGGSA-N 0 3 229.320 0.231 20 0 BCADHN Cc1nonc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000265061866 386302567 /nfs/dbraw/zinc/30/25/67/386302567.db2.gz SRIJTUJPJZJKJV-SECBINFHSA-N 0 3 238.291 0.544 20 0 BCADHN Cn1ccnc1CNC[C@]1(C)CCOC1 ZINC000336731071 386306004 /nfs/dbraw/zinc/30/60/04/386306004.db2.gz KMVBUFSCZDTYMC-NSHDSACASA-N 0 3 209.293 0.936 20 0 BCADHN CCC[C@H](C)N(C)CCS(=O)(=O)N(C)C ZINC000336674017 386307341 /nfs/dbraw/zinc/30/73/41/386307341.db2.gz GYKLAQUFFPGIJD-JTQLQIEISA-N 0 3 236.381 0.998 20 0 BCADHN C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000408404511 386308351 /nfs/dbraw/zinc/30/83/51/386308351.db2.gz ZGONQIGPMMJCIO-LNLATYFQSA-N 0 3 237.303 0.316 20 0 BCADHN C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000408404511 386308356 /nfs/dbraw/zinc/30/83/56/386308356.db2.gz ZGONQIGPMMJCIO-LNLATYFQSA-N 0 3 237.303 0.316 20 0 BCADHN C[C@]1(F)CNCCN(c2cnccn2)C1 ZINC000416390052 386308320 /nfs/dbraw/zinc/30/83/20/386308320.db2.gz OYHYYLPTPBUUPA-JTQLQIEISA-N 0 3 210.256 0.614 20 0 BCADHN Cc1ccnc(N2CCNC[C@@](C)(F)C2)n1 ZINC000416390028 386309156 /nfs/dbraw/zinc/30/91/56/386309156.db2.gz OUVSMKUVDWYDMB-LLVKDONJSA-N 0 3 224.283 0.923 20 0 BCADHN CN(CCN1CCCC1=O)CC(C)(C)CO ZINC000336668971 386309866 /nfs/dbraw/zinc/30/98/66/386309866.db2.gz HPWCKTCEEALMRW-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN OC[C@H]1CC[C@H](CO)N1CCC(F)(F)F ZINC000347270048 386310116 /nfs/dbraw/zinc/31/01/16/386310116.db2.gz HLEGZBLZZWVIJH-HTQZYQBOSA-N 0 3 227.226 0.756 20 0 BCADHN Cn1cncc1CCN1CCC[C@@H](O)C1 ZINC000289486595 386312812 /nfs/dbraw/zinc/31/28/12/386312812.db2.gz CEGLNSNZYBXIIO-LLVKDONJSA-N 0 3 209.293 0.419 20 0 BCADHN CCN(C(=O)[C@H](CN)OC)c1nc(C)cs1 ZINC000289479419 386314279 /nfs/dbraw/zinc/31/42/79/386314279.db2.gz BRVGWMSFGQLFNO-QMMMGPOBSA-N 0 3 243.332 0.778 20 0 BCADHN FC1(F)CCNC[C@@H]1NCC[C@@H]1CCOC1 ZINC000415006268 386314641 /nfs/dbraw/zinc/31/46/41/386314641.db2.gz SRTTWRMYFBLMGD-ZJUUUORDSA-N 0 3 234.290 1.000 20 0 BCADHN CO[C@H](C)CN(C)C[C@@H]1COCCO1 ZINC000336676052 386325238 /nfs/dbraw/zinc/32/52/38/386325238.db2.gz CAUNFVQZQLUKLI-NXEZZACHSA-N 0 3 203.282 0.369 20 0 BCADHN CC(C)(C)OCCN1[C@@H](CO)CC[C@@H]1CO ZINC000347281870 386317865 /nfs/dbraw/zinc/31/78/65/386317865.db2.gz VELOFALTWIYAHU-GHMZBOCLSA-N 0 3 231.336 0.619 20 0 BCADHN COCCCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000416442339 386318770 /nfs/dbraw/zinc/31/87/70/386318770.db2.gz XCMXLKBWLMLWKS-ZJUUUORDSA-N 0 3 229.324 0.415 20 0 BCADHN C[C@H](C(=O)NC[C@H](C)N(C)C)n1cccn1 ZINC000298298342 386320158 /nfs/dbraw/zinc/32/01/58/386320158.db2.gz ASYPCCFOIVCVAU-VHSXEESVSA-N 0 3 224.308 0.510 20 0 BCADHN C[C@@H](N(C)CCS(=O)(=O)N(C)C)C1(C)CC1 ZINC000336679934 386320774 /nfs/dbraw/zinc/32/07/74/386320774.db2.gz XIELFRGFWJEIDM-SNVBAGLBSA-N 0 3 248.392 0.998 20 0 BCADHN COc1nnc(NC(=O)NCCN(C)C)s1 ZINC000276437812 386321223 /nfs/dbraw/zinc/32/12/23/386321223.db2.gz ISTLLMDXMWKPQW-UHFFFAOYSA-N 0 3 245.308 0.230 20 0 BCADHN CN(C)CC(C)(C)NS(=O)(=O)c1ccco1 ZINC000416511284 386321867 /nfs/dbraw/zinc/32/18/67/386321867.db2.gz XAUFXROBPZGQOR-UHFFFAOYSA-N 0 3 246.332 0.898 20 0 BCADHN CN(C)CC(C)(C)NS(=O)(=O)C1(C)CC1 ZINC000416512850 386322278 /nfs/dbraw/zinc/32/22/78/386322278.db2.gz STJVMCAXFYONRB-UHFFFAOYSA-N 0 3 234.365 0.799 20 0 BCADHN C[C@H](N(C)CCS(=O)(=O)N(C)C)C1(C)CC1 ZINC000336679932 386322458 /nfs/dbraw/zinc/32/24/58/386322458.db2.gz XIELFRGFWJEIDM-JTQLQIEISA-N 0 3 248.392 0.998 20 0 BCADHN CC[C@H](O)CN1CCO[C@]2(CCO[C@H]2C)C1 ZINC000339141929 386262064 /nfs/dbraw/zinc/26/20/64/386262064.db2.gz VEYZAGKMTSGNTC-SDDRHHMPSA-N 0 3 229.320 0.637 20 0 BCADHN COC[C@H]1CN(C[C@H]2CCOC2)CCO1 ZINC000336650398 386263644 /nfs/dbraw/zinc/26/36/44/386263644.db2.gz SSDFZOQIBNLKLD-GHMZBOCLSA-N 0 3 215.293 0.370 20 0 BCADHN CN(CCNC(=O)[C@@H](O)c1cccnc1)C1CC1 ZINC000264699170 386264095 /nfs/dbraw/zinc/26/40/95/386264095.db2.gz NHHINJWBHKYHOG-LBPRGKRZSA-N 0 3 249.314 0.325 20 0 BCADHN CN(C)C1(CNC(=O)C[C@H]2CCCO2)CC1 ZINC000416297880 386264088 /nfs/dbraw/zinc/26/40/88/386264088.db2.gz BCOWEGPLDMYPHJ-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CCCN(C)CC(=O)NCC1(N(C)C)CC1 ZINC000416305098 386266051 /nfs/dbraw/zinc/26/60/51/386266051.db2.gz WFIJCBLECBRJSI-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN COC[C@H](O)CN(C)[C@@H](CO)c1ccccc1 ZINC000264756433 386266915 /nfs/dbraw/zinc/26/69/15/386266915.db2.gz HLIXUPIVULFSOI-OLZOCXBDSA-N 0 3 239.315 0.659 20 0 BCADHN CN(C)C1(CNC(=O)C[C@](C)(O)C2CC2)CC1 ZINC000416305632 386267195 /nfs/dbraw/zinc/26/71/95/386267195.db2.gz BQLDRYHCVAMESV-LBPRGKRZSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1cc(C(=O)NCC2(N(C)C)CC2)[nH]n1 ZINC000416304362 386267297 /nfs/dbraw/zinc/26/72/97/386267297.db2.gz UQRAPZOCBWWVMR-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN CN(C)C1(CNC(=O)[C@@]2(C)CCOC2)CC1 ZINC000416306321 386268002 /nfs/dbraw/zinc/26/80/02/386268002.db2.gz FNOPHSQBXDBSES-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN Cc1ccn(CC(=O)NCC2(N(C)C)CC2)n1 ZINC000416306489 386268028 /nfs/dbraw/zinc/26/80/28/386268028.db2.gz GBJWIITXTJZGKB-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)NCC1(N(C)C)CC1 ZINC000416303665 386268171 /nfs/dbraw/zinc/26/81/71/386268171.db2.gz RONKEEHVJHZECX-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN CCN(C[C@H]1CCOC1)[C@H]1CCNC1=O ZINC000336653401 386268860 /nfs/dbraw/zinc/26/88/60/386268860.db2.gz YJWCBMHOZGTEHW-ZJUUUORDSA-N 0 3 212.293 0.233 20 0 BCADHN CC(C)[C@@H](O)C(=O)NCC1(N(C)C)CC1 ZINC000416308859 386269173 /nfs/dbraw/zinc/26/91/73/386269173.db2.gz SEAIFPSFAMRRMC-SECBINFHSA-N 0 3 214.309 0.214 20 0 BCADHN C[C@H]1C[C@@H](C(=O)NCC2(N(C)C)CC2)CO1 ZINC000416309045 386269738 /nfs/dbraw/zinc/26/97/38/386269738.db2.gz UFLMBSVQKDJTMW-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@H](C(=O)NCC1(N(C)C)CC1)C(=O)OC ZINC000416307568 386270461 /nfs/dbraw/zinc/27/04/61/386270461.db2.gz LKLAFCRNJVIZRH-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN Cc1cc(C(=O)NC[C@@H](C)N(C)C)cnn1 ZINC000276084550 386270953 /nfs/dbraw/zinc/27/09/53/386270953.db2.gz OMEXVDMHXAFEGK-SECBINFHSA-N 0 3 222.292 0.465 20 0 BCADHN CCN(CCN1CCCS1(=O)=O)C(C)C ZINC000336654371 386272515 /nfs/dbraw/zinc/27/25/15/386272515.db2.gz ZVOINHMTZFNQRY-UHFFFAOYSA-N 0 3 234.365 0.752 20 0 BCADHN Cc1cnn(C)c1CN1CCC[C@@H]1CO ZINC000289226917 386275000 /nfs/dbraw/zinc/27/50/00/386275000.db2.gz YDCCXPZQYZNILF-SNVBAGLBSA-N 0 3 209.293 0.685 20 0 BCADHN C[C@H](CN(C)C)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000336659560 386276799 /nfs/dbraw/zinc/27/67/99/386276799.db2.gz CAFZMVNLPPNLIU-BDAKNGLRSA-N 0 3 224.308 0.783 20 0 BCADHN CN1CCC[C@@H](CCNS(=O)(=O)C2CC2)C1 ZINC000416562440 386340322 /nfs/dbraw/zinc/34/03/22/386340322.db2.gz WLUDIBRWYILIEO-JTQLQIEISA-N 0 3 246.376 0.800 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@H](O)C1CCCCC1 ZINC000353156338 386341231 /nfs/dbraw/zinc/34/12/31/386341231.db2.gz RSSMVEVOPQAGHV-QWRGUYRKSA-N 0 3 244.335 0.018 20 0 BCADHN Cc1c[nH]nc1CNCC1(C(N)=O)CCCC1 ZINC000289669864 386341839 /nfs/dbraw/zinc/34/18/39/386341839.db2.gz ZMPCAOMSIOIPHE-UHFFFAOYSA-N 0 3 236.319 0.853 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@H](O)C1CCCCC1 ZINC000353156339 386342236 /nfs/dbraw/zinc/34/22/36/386342236.db2.gz RSSMVEVOPQAGHV-WDEREUQCSA-N 0 3 244.335 0.018 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@@H](O)C1CCCCC1 ZINC000353156336 386342537 /nfs/dbraw/zinc/34/25/37/386342537.db2.gz RSSMVEVOPQAGHV-GHMZBOCLSA-N 0 3 244.335 0.018 20 0 BCADHN COC[C@@H]1CCN1C[C@@H](O)CN(C)C1CC1 ZINC000339290052 386342758 /nfs/dbraw/zinc/34/27/58/386342758.db2.gz HSVKYEVIHCUWRB-RYUDHWBXSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@@H](CNC(=O)Nc1cnn(C)c1)N(C)C ZINC000298429875 386343534 /nfs/dbraw/zinc/34/35/34/386343534.db2.gz DRNIXZSZMKGXSG-QMMMGPOBSA-N 0 3 225.296 0.492 20 0 BCADHN c1cnnc(N2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000336687520 386347580 /nfs/dbraw/zinc/34/75/80/386347580.db2.gz AUDWIIRKHYMEAE-GFCCVEGCSA-N 0 3 248.330 0.635 20 0 BCADHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)C1CC1 ZINC000647888326 386348514 /nfs/dbraw/zinc/34/85/14/386348514.db2.gz COOUHSRISOLXDP-WPRPVWTQSA-N 0 3 232.349 0.503 20 0 BCADHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)C1CC1 ZINC000647888325 386348574 /nfs/dbraw/zinc/34/85/74/386348574.db2.gz COOUHSRISOLXDP-WCBMZHEXSA-N 0 3 232.349 0.503 20 0 BCADHN COC[C@H]1CCN([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000336688349 386350169 /nfs/dbraw/zinc/35/01/69/386350169.db2.gz HCBFSGZUIOUEAQ-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)/C=C/CN(C)C ZINC000265600448 386350692 /nfs/dbraw/zinc/35/06/92/386350692.db2.gz CCTNBIKUNCXSJS-CYNONHLPSA-N 0 3 228.292 0.030 20 0 BCADHN CC(C)OC(=O)CCN1[C@@H](CO)CC[C@H]1CO ZINC000347308935 386351636 /nfs/dbraw/zinc/35/16/36/386351636.db2.gz NUHNARCOMOKZDM-PHIMTYICSA-N 0 3 245.319 0.146 20 0 BCADHN COC(=O)CCCN(C)C(=O)/C=C/CN(C)C ZINC000265618264 386352912 /nfs/dbraw/zinc/35/29/12/386352912.db2.gz GTNGMAXBGSUBSD-FNORWQNLSA-N 0 3 242.319 0.516 20 0 BCADHN COC(C)(C)CCN1CCNC(=O)CC1 ZINC000336689288 386353918 /nfs/dbraw/zinc/35/39/18/386353918.db2.gz AYKZFIRLLVAYON-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN COC(=O)[C@H]1CCCN1C(=O)/C=C/CN(C)C ZINC000265645373 386354639 /nfs/dbraw/zinc/35/46/39/386354639.db2.gz MWPITGAMIBPTAL-BREXMAIKSA-N 0 3 240.303 0.268 20 0 BCADHN COC(=O)[C@@H]1CCCN1C(=O)/C=C/CN(C)C ZINC000265645376 386355393 /nfs/dbraw/zinc/35/53/93/386355393.db2.gz MWPITGAMIBPTAL-STUBTGCMSA-N 0 3 240.303 0.268 20 0 BCADHN CCN(CC(=O)OC)C(=O)/C=C/CN(C)C ZINC000265660954 386357170 /nfs/dbraw/zinc/35/71/70/386357170.db2.gz DOOQNLYTSMZZSV-VOTSOKGWSA-N 0 3 228.292 0.126 20 0 BCADHN CC(C)=CCCNC(=O)C(C)S(C)(=O)=O ZINC000276629584 386357194 /nfs/dbraw/zinc/35/71/94/386357194.db2.gz NVPMXYGKTMUVJZ-SECBINFHSA-N 0 3 233.333 0.892 20 0 BCADHN CCCCN(CC(N)=O)C(=O)/C=C/CN(C)C ZINC000265670736 386357381 /nfs/dbraw/zinc/35/73/81/386357381.db2.gz TUNYCKZTQDCUMD-VOTSOKGWSA-N 0 3 241.335 0.218 20 0 BCADHN COC[C@@H](C)CNC(=O)/C=C/CN(C)C ZINC000265647436 386357476 /nfs/dbraw/zinc/35/74/76/386357476.db2.gz NJYHFJONWJFCBN-PORFMDCZSA-N 0 3 214.309 0.503 20 0 BCADHN Nc1ccoc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000313153139 386357827 /nfs/dbraw/zinc/35/78/27/386357827.db2.gz DQFZQKOFOBQVAS-VIFPVBQESA-N 0 3 235.287 0.782 20 0 BCADHN Cc1cnn(CCNC(=O)/C=C/CN(C)C)c1 ZINC000265668077 386358180 /nfs/dbraw/zinc/35/81/80/386358180.db2.gz GUORIIYEHORVOS-SNAWJCMRSA-N 0 3 236.319 0.426 20 0 BCADHN C[C@@H](CN(CCO)CC1CC1)CS(C)(=O)=O ZINC000336684725 386358446 /nfs/dbraw/zinc/35/84/46/386358446.db2.gz UOLHTNYHZBRQDJ-JTQLQIEISA-N 0 3 249.376 0.371 20 0 BCADHN CCN1CCCN(CC[C@@H]2CCOC2)CC1=O ZINC000347317676 386358919 /nfs/dbraw/zinc/35/89/19/386358919.db2.gz UHTHMFHDXPRBSN-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN CO[C@@H](CN)C(=O)NCC1(c2ccccc2)CC1 ZINC000289802128 386359388 /nfs/dbraw/zinc/35/93/88/386359388.db2.gz ZFDKFMUCVABDAY-LBPRGKRZSA-N 0 3 248.326 0.808 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCn1cc(C)cn1 ZINC000226675679 386359702 /nfs/dbraw/zinc/35/97/02/386359702.db2.gz QBWNKLCTQMJTDP-GFCCVEGCSA-N 0 3 238.335 0.825 20 0 BCADHN C[C@@]1(CO)CCC[C@H]1NCC(=O)N1CCCC1 ZINC000408364844 386360205 /nfs/dbraw/zinc/36/02/05/386360205.db2.gz NKYLQTXGOWFLMY-YPMHNXCESA-N 0 3 240.347 0.750 20 0 BCADHN C[C@H](CNC(=O)c1n[nH]c2c1CCC2)N(C)C ZINC000298573000 386360434 /nfs/dbraw/zinc/36/04/34/386360434.db2.gz FMMIOSHKRKKMTF-MRVPVSSYSA-N 0 3 236.319 0.578 20 0 BCADHN CN(C)C/C=C/C(=O)NCCc1cnn(C)c1 ZINC000265686630 386361279 /nfs/dbraw/zinc/36/12/79/386361279.db2.gz XLAZSNOZHMGECP-SNAWJCMRSA-N 0 3 236.319 0.197 20 0 BCADHN CN(Cc1cnccn1)C(=O)[C@@]1(C)CCCCN1 ZINC000237183934 386361761 /nfs/dbraw/zinc/36/17/61/386361761.db2.gz ZTLFYFJWZICOCW-CYBMUJFWSA-N 0 3 248.330 0.967 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000289845184 386361768 /nfs/dbraw/zinc/36/17/68/386361768.db2.gz FKYWGQZNHOPWNK-FRRDWIJNSA-N 0 3 248.326 0.708 20 0 BCADHN COC(=O)c1ccc(CN(C)CCN(C)C)[nH]1 ZINC000289919190 386370677 /nfs/dbraw/zinc/37/06/77/386370677.db2.gz VPGQCRBWDQTDLK-UHFFFAOYSA-N 0 3 239.319 0.795 20 0 BCADHN C(C1CC1)N1CCN(C[C@H]2COCCO2)CC1 ZINC000336694331 386370739 /nfs/dbraw/zinc/37/07/39/386370739.db2.gz JARROOCHAVDTIK-ZDUSSCGKSA-N 0 3 240.347 0.429 20 0 BCADHN C[C@@H]1Cc2ccccc2N1CCNC(=O)CN ZINC000237366129 386372551 /nfs/dbraw/zinc/37/25/51/386372551.db2.gz KTOGVJBTJQZDBI-SNVBAGLBSA-N 0 3 233.315 0.513 20 0 BCADHN OC[C@]1(F)CCCN(CC2(O)CCOCC2)C1 ZINC000347377369 386373563 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386661317 /nfs/dbraw/zinc/66/13/17/386661317.db2.gz SXZWNVSSWKJDMK-LBPRGKRZSA-N 0 3 244.379 0.392 20 0 BCADHN O=C(CN1CCCC12CCC2)N1CCOCC1 ZINC000335521758 386661733 /nfs/dbraw/zinc/66/17/33/386661733.db2.gz BWCXTVFOPFECQT-UHFFFAOYSA-N 0 3 238.331 0.864 20 0 BCADHN CCCCOCCNC(=O)[C@@H](N)CCSC ZINC000040507669 386662009 /nfs/dbraw/zinc/66/20/09/386662009.db2.gz ZWYJXUVMYZUQSC-JTQLQIEISA-N 0 3 248.392 1.000 20 0 BCADHN CCOCCSc1nnnn1CCN(C)C ZINC000340678235 386666549 /nfs/dbraw/zinc/66/65/49/386666549.db2.gz QIEILGNFALPINZ-UHFFFAOYSA-N 0 3 245.352 0.363 20 0 BCADHN C[C@@H](CNC(=O)Cc1cncnc1)N(C)C1CC1 ZINC000279338085 386667291 /nfs/dbraw/zinc/66/72/91/386667291.db2.gz DGAUZBWRRCCARA-JTQLQIEISA-N 0 3 248.330 0.618 20 0 BCADHN C[C@@H](NC(=O)c1ncn(C)n1)C1=CCN(C)CC1 ZINC000292421161 386668154 /nfs/dbraw/zinc/66/81/54/386668154.db2.gz OATKEEHIXPDIFZ-SECBINFHSA-N 0 3 249.318 0.195 20 0 BCADHN CC[C@]1(O)CCN([C@@H](C)C(=O)NCC(C)C)C1 ZINC000425933021 386669627 /nfs/dbraw/zinc/66/96/27/386669627.db2.gz 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/nfs/dbraw/zinc/77/36/57/386773657.db2.gz RBFTVVWCMQOWQS-NXEZZACHSA-N 0 3 227.308 0.061 20 0 BCADHN CC(C)N(C)CC(=O)NCCC[C@H](C)CO ZINC000340412974 386775557 /nfs/dbraw/zinc/77/55/57/386775557.db2.gz YLKFCBCUABTOOF-NSHDSACASA-N 0 3 230.352 0.851 20 0 BCADHN CSCCO[N-]C(=O)/C=C/C[NH+](C)C ZINC000280093669 386777846 /nfs/dbraw/zinc/77/78/46/386777846.db2.gz UCFKVFMFHYHPBX-SNAWJCMRSA-N 0 3 218.322 0.515 20 0 BCADHN CSCCONC(=O)/C=C/CN(C)C ZINC000280093669 386777850 /nfs/dbraw/zinc/77/78/50/386777850.db2.gz UCFKVFMFHYHPBX-SNAWJCMRSA-N 0 3 218.322 0.515 20 0 BCADHN CC[C@H](F)CN[C@@H]1CCC(=O)N[C@H]1C ZINC000336666522 386780219 /nfs/dbraw/zinc/78/02/19/386780219.db2.gz VUXILOQMHDADJD-XHNCKOQMSA-N 0 3 202.273 0.991 20 0 BCADHN CCn1nncc1CNCCN1CCCCC1 ZINC000417978355 386781839 /nfs/dbraw/zinc/78/18/39/386781839.db2.gz ZEVBKAQJPZZTBQ-UHFFFAOYSA-N 0 3 237.351 0.874 20 0 BCADHN CCN(CC(N)=O)CC1(SC)CC1 ZINC000336667220 386782807 /nfs/dbraw/zinc/78/28/07/386782807.db2.gz ZBIOSYYPUVAPJJ-UHFFFAOYSA-N 0 3 202.323 0.689 20 0 BCADHN C[C@@H](O)CN1CCc2ccccc2[C@H]1CO ZINC000248773787 386796523 /nfs/dbraw/zinc/79/65/23/386796523.db2.gz UBVWFBTXGJPSGJ-ZWNOBZJWSA-N 0 3 221.300 0.959 20 0 BCADHN CC[C@@](C)(O)CN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408444783 386785222 /nfs/dbraw/zinc/78/52/22/386785222.db2.gz WCFWCVITTBHXIS-WDEREUQCSA-N 0 3 249.376 0.514 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)[C@H]1C ZINC000357512430 386796572 /nfs/dbraw/zinc/79/65/72/386796572.db2.gz FFVKHAKOEHWBRY-GRYCIOLGSA-N 0 3 237.347 0.243 20 0 BCADHN C[C@@H]1[C@@H](CO)CCN1CC(=O)N(C)C1CC1 ZINC000395240453 386787154 /nfs/dbraw/zinc/78/71/54/386787154.db2.gz YNKNEPXZHQZDBU-NXEZZACHSA-N 0 3 226.320 0.310 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H]1CCCOC1)N(C)C ZINC000340961459 386818360 /nfs/dbraw/zinc/81/83/60/386818360.db2.gz RBKUSCPVWSGEAB-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN Cn1cc(CNC[C@](C)(O)C2CC2)cn1 ZINC000336672869 386823762 /nfs/dbraw/zinc/82/37/62/386823762.db2.gz GPVFQCGWWCOWEF-NSHDSACASA-N 0 3 209.293 0.671 20 0 BCADHN Cc1ccncc1CN1CC[C@@H](C(N)=O)C1 ZINC000269450863 386797045 /nfs/dbraw/zinc/79/70/45/386797045.db2.gz CKYJTWGUXODMTG-SNVBAGLBSA-N 0 3 219.288 0.697 20 0 BCADHN C[C@H](CN(C)C)NS(=O)(=O)N1CC[C@@H](C)C1 ZINC000344900668 386797325 /nfs/dbraw/zinc/79/73/25/386797325.db2.gz PAFZXKSZIVUSKT-NXEZZACHSA-N 0 3 249.380 0.113 20 0 BCADHN C[C@H](NC[C@@H]1CC[C@@H](CO)O1)c1cnn(C)c1 ZINC000340421375 386797584 /nfs/dbraw/zinc/79/75/84/386797584.db2.gz VOWKPRWSBBHOSR-DLOVCJGASA-N 0 3 239.319 0.611 20 0 BCADHN CCCN(CCN(C)C)C(=O)CN(C)C(C)=O ZINC000344862567 386804708 /nfs/dbraw/zinc/80/47/08/386804708.db2.gz HSINQVMWNQUYSW-UHFFFAOYSA-N 0 3 243.351 0.265 20 0 BCADHN CN(CCC(N)=O)CCN1CCOCC1 ZINC000330598175 386805052 /nfs/dbraw/zinc/80/50/52/386805052.db2.gz BALNJAYLSZRWTB-UHFFFAOYSA-N 0 3 215.297 0.176 20 0 BCADHN CC(C)OCCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000417995466 386806496 /nfs/dbraw/zinc/80/64/96/386806496.db2.gz AYZHKMLPRQXMJB-WDEREUQCSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@H](O)CNC1(C(N)=O)CCCCC1 ZINC000192997463 386808232 /nfs/dbraw/zinc/80/82/32/386808232.db2.gz MLDVCYKQWOXCPK-QMMMGPOBSA-N 0 3 200.282 0.145 20 0 BCADHN C[C@@H](O)CNC1(C(N)=O)CCCCC1 ZINC000192997478 386808336 /nfs/dbraw/zinc/80/83/36/386808336.db2.gz MLDVCYKQWOXCPK-MRVPVSSYSA-N 0 3 200.282 0.145 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)[nH]n1 ZINC000329846847 386808400 /nfs/dbraw/zinc/80/84/00/386808400.db2.gz QWUYJDKLXGUUMQ-UFBFGSQYSA-N 0 3 248.330 0.931 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NCCOCC1CC1 ZINC000336671169 386811649 /nfs/dbraw/zinc/81/16/49/386811649.db2.gz SAVMYQKKGDDICL-QMMMGPOBSA-N 0 3 236.262 0.512 20 0 BCADHN N[C@H](CC(F)F)C(=O)NC[C@@H]1CCCCO1 ZINC000336672440 386824575 /nfs/dbraw/zinc/82/45/75/386824575.db2.gz SQTFWXQQOQMNHO-JGVFFNPUSA-N 0 3 236.262 0.654 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)CCNC(N)=O ZINC000330653443 386813945 /nfs/dbraw/zinc/81/39/45/386813945.db2.gz JNCRJOIZONSAGR-SECBINFHSA-N 0 3 242.323 0.011 20 0 BCADHN C[C@@]1(O)CCCN([C@H]2CCNC2=O)CC1 ZINC000329926330 386814775 /nfs/dbraw/zinc/81/47/75/386814775.db2.gz WCRBMRZSUQDKKM-GXSJLCMTSA-N 0 3 212.293 0.952 20 0 BCADHN COC[C@@H](C)NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000417959384 386826048 /nfs/dbraw/zinc/82/60/48/386826048.db2.gz DPEAZOSINWQHSI-AEJSXWLSSA-N 0 3 229.324 0.413 20 0 BCADHN CC[C@@H](O)CCCNC(=O)C[C@H]1CNCCO1 ZINC000398474610 386828347 /nfs/dbraw/zinc/82/83/47/386828347.db2.gz SGNHUARACVUNIH-MNOVXSKESA-N 0 3 244.335 0.032 20 0 BCADHN Cn1nccc1CCN1C[C@@H](O)C(C)(C)C1 ZINC000283217474 386828587 /nfs/dbraw/zinc/82/85/87/386828587.db2.gz SAOTXNDQRKJSTH-LLVKDONJSA-N 0 3 223.320 0.665 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000330687488 386830050 /nfs/dbraw/zinc/83/00/50/386830050.db2.gz WECKBGYOFIPGBW-XHNCKOQMSA-N 0 3 243.307 0.136 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCN(C)C[C@H]1C ZINC000211764348 386830991 /nfs/dbraw/zinc/83/09/91/386830991.db2.gz DKMIAZCBSZVMSL-NXEZZACHSA-N 0 3 213.325 0.132 20 0 BCADHN CCN(CCn1c(C)csc1=O)[C@@H](C)CO ZINC000293540333 386831162 /nfs/dbraw/zinc/83/11/62/386831162.db2.gz XWYYUOVOSYEBEJ-VIFPVBQESA-N 0 3 244.360 0.921 20 0 BCADHN CN(CCCO)[C@@H](CC(N)=O)c1ccccc1 ZINC000280633531 386832764 /nfs/dbraw/zinc/83/27/64/386832764.db2.gz XQKZBLBDLWLGJD-LBPRGKRZSA-N 0 3 236.315 0.917 20 0 BCADHN CC(C)N(C)C(=O)CN[C@](C)(CO)C(C)C ZINC000398507326 386834411 /nfs/dbraw/zinc/83/44/11/386834411.db2.gz KQTRSBMFLFVFCN-GFCCVEGCSA-N 0 3 230.352 0.850 20 0 BCADHN C[C@@H]1CCCCCN1CCNS(C)(=O)=O ZINC000334782832 386839237 /nfs/dbraw/zinc/83/92/37/386839237.db2.gz GGKDEOLCAJYOKR-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCC(C)(C)O1 ZINC000328602016 386842157 /nfs/dbraw/zinc/84/21/57/386842157.db2.gz GMGLDPJXAPDETG-JTQLQIEISA-N 0 3 224.308 0.862 20 0 BCADHN CC[C@@H](C(=O)NC[C@]1(O)CCSC1)N(C)C ZINC000125411826 386842911 /nfs/dbraw/zinc/84/29/11/386842911.db2.gz NQXUWNAGVDXURH-GXSJLCMTSA-N 0 3 246.376 0.311 20 0 BCADHN CO[C@@H]1CN(CCOC(C)C)C[C@H]1O ZINC000395481578 386843461 /nfs/dbraw/zinc/84/34/61/386843461.db2.gz LFCWGZKENNBIDC-NXEZZACHSA-N 0 3 203.282 0.103 20 0 BCADHN Cc1cc(=O)[nH]c(C(=O)NCCN2CCCC2)c1 ZINC000341148263 386847330 /nfs/dbraw/zinc/84/73/30/386847330.db2.gz JEQSAJNEMKRTBI-UHFFFAOYSA-N 0 3 249.314 0.921 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](C)NC2CC2)CCO1 ZINC000395077912 386847427 /nfs/dbraw/zinc/84/74/27/386847427.db2.gz PAABRNVKVFWXDP-ONGXEEELSA-N 0 3 226.320 0.764 20 0 BCADHN O=C1CCCN1CCN1C[C@@H]2C[C@H]1CS2 ZINC000334786385 386847463 /nfs/dbraw/zinc/84/74/63/386847463.db2.gz PIXOQCWOZANRAF-UWVGGRQHSA-N 0 3 226.345 0.799 20 0 BCADHN COC(=O)C1(CN(C)[C@@]2(CO)CCOC2)CC1 ZINC000331421587 386850168 /nfs/dbraw/zinc/85/01/68/386850168.db2.gz BDZDDXHEPUORJI-GFCCVEGCSA-N 0 3 243.303 0.023 20 0 BCADHN COC[C@H](CO)N[C@@H]1CC[C@H]1SC ZINC000425336508 386851420 /nfs/dbraw/zinc/85/14/20/386851420.db2.gz LIPQLOOLCRSSND-DJLDLDEBSA-N 0 3 205.323 0.477 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Cc1ccon1 ZINC000330673761 386854209 /nfs/dbraw/zinc/85/42/09/386854209.db2.gz HLPVAGQQLVJEBD-QMMMGPOBSA-N 0 3 211.265 0.283 20 0 BCADHN C[C@H](Cc1cnccn1)NCc1cnn(C)c1 ZINC000340435660 386855702 /nfs/dbraw/zinc/85/57/02/386855702.db2.gz UXVVBOYRDOHEPS-SNVBAGLBSA-N 0 3 231.303 0.931 20 0 BCADHN CO[C@@H](C(=O)N1CCC[C@H](N(C)C)C1)C1CC1 ZINC000349510546 386856474 /nfs/dbraw/zinc/85/64/74/386856474.db2.gz SOUSDFFVNMPIHR-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C[C@@H]1CCC[C@H]1O)C(=O)[C@H](N)C1CCC1 ZINC000331447299 386857263 /nfs/dbraw/zinc/85/72/63/386857263.db2.gz GGILOQRZVQDOTM-QJPTWQEYSA-N 0 3 240.347 0.733 20 0 BCADHN COC(=O)[C@H](C)N1CCN(C)[C@@H](C(C)C)C1 ZINC000488031869 533199962 /nfs/dbraw/zinc/19/99/62/533199962.db2.gz MNIQQPXKNLCVHQ-WDEREUQCSA-N 0 3 228.336 0.820 20 0 BCADHN C[C@@H](CC(=O)N(C)C)N[C@@H]1CCCN(C)C1=O ZINC000341315094 386894075 /nfs/dbraw/zinc/89/40/75/386894075.db2.gz QNLYAFMWEBJMAM-VHSXEESVSA-N 0 3 241.335 0.064 20 0 BCADHN C[C@H](CO)CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341193061 386860231 /nfs/dbraw/zinc/86/02/31/386860231.db2.gz GXTADIURPALTLW-HBNTYKKESA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H](O)C[C@H](C)NC(=O)NCCN(C)C1CC1 ZINC000341201287 386860572 /nfs/dbraw/zinc/86/05/72/386860572.db2.gz MLWQIRAXBBKULL-VHSXEESVSA-N 0 3 243.351 0.539 20 0 BCADHN CN1CCC(O)(CNC(=O)NCC2CC2)CC1 ZINC000331478200 386861209 /nfs/dbraw/zinc/86/12/09/386861209.db2.gz HPEJVWNOJMIYIW-UHFFFAOYSA-N 0 3 241.335 0.152 20 0 BCADHN C[C@H](CO)CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341193059 386861699 /nfs/dbraw/zinc/86/16/99/386861699.db2.gz GXTADIURPALTLW-DCAQKATOSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@H](CO)NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341199121 386861766 /nfs/dbraw/zinc/86/17/66/386861766.db2.gz KKWDNDDXYYDUPW-OPRDCNLKSA-N 0 3 229.324 0.149 20 0 BCADHN CC[C@H](CO)NC(=O)C1CCN(C2CC2)CC1 ZINC000331509339 386862742 /nfs/dbraw/zinc/86/27/42/386862742.db2.gz QYBQTGVRGWMBCH-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H](O)CCNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341205013 386863445 /nfs/dbraw/zinc/86/34/45/386863445.db2.gz QEEFMZXSIZGTGW-VWYCJHECSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@@]1(C(=O)N2CCN3CCC[C@H]3C2)CCOC1 ZINC000335744325 386863869 /nfs/dbraw/zinc/86/38/69/386863869.db2.gz QSRCXPQLGCXHPE-WCQYABFASA-N 0 3 238.331 0.720 20 0 BCADHN CCS(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000335744742 386864568 /nfs/dbraw/zinc/86/45/68/386864568.db2.gz AFQZJDQDJNDFKN-WDEREUQCSA-N 0 3 246.376 0.895 20 0 BCADHN COC(=O)c1ccc(CN[C@@H]2CC[C@H]2O)[nH]1 ZINC000425350029 386868064 /nfs/dbraw/zinc/86/80/64/386868064.db2.gz DUAAJILDAYJKOP-PSASIEDQSA-N 0 3 224.260 0.414 20 0 BCADHN C[C@H](O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000335748596 386872571 /nfs/dbraw/zinc/87/25/71/386872571.db2.gz AOBLFGJPVUQFOE-UWVGGRQHSA-N 0 3 228.336 0.556 20 0 BCADHN C[C@H](C(=O)N1CCCCC1)N1CC[C@H](CO)C1 ZINC000051886989 386872924 /nfs/dbraw/zinc/87/29/24/386872924.db2.gz QPDXHONJYMJONJ-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN CNS(=O)(=O)C[C@@H]1CCCN1C(C)C ZINC000335748422 386873286 /nfs/dbraw/zinc/87/32/86/386873286.db2.gz MVVXURRVULUXOP-VIFPVBQESA-N 0 3 220.338 0.408 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000052009814 386873392 /nfs/dbraw/zinc/87/33/92/386873392.db2.gz MFRXEGSVEZFHKC-GUBZILKMSA-N 0 3 246.376 0.487 20 0 BCADHN CCOC[C@@H]1CCN(CC(=O)N2CCC2)C1 ZINC000357967582 386875430 /nfs/dbraw/zinc/87/54/30/386875430.db2.gz WFWZSFLSAJFQRO-LLVKDONJSA-N 0 3 226.320 0.577 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@H]2C[C@H](C)CCN2)C1 ZINC000300040017 386875807 /nfs/dbraw/zinc/87/58/07/386875807.db2.gz IIBWRBVGXUQREY-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1ncc(CNCCc2cnccn2)cn1 ZINC000341285854 386876343 /nfs/dbraw/zinc/87/63/43/386876343.db2.gz FMVRWJIURKXZLM-UHFFFAOYSA-N 0 3 229.287 0.907 20 0 BCADHN CCN(C[C@@H](C)O)C(=O)[C@H](C(C)C)N(C)C ZINC000341317667 386878464 /nfs/dbraw/zinc/87/84/64/386878464.db2.gz WUSCUANOPHVNFF-MNOVXSKESA-N 0 3 230.352 0.802 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N(C)[C@@H]1CCC[C@H]1O ZINC000331698596 386882951 /nfs/dbraw/zinc/88/29/51/386882951.db2.gz VLBUOCGSEBVPLH-JMJZKYOTSA-N 0 3 226.320 0.499 20 0 BCADHN C[C@H](N[C@H]1CN(C)C[C@H]1C)C(=O)NC(C)(C)C ZINC000358034701 386883083 /nfs/dbraw/zinc/88/30/83/386883083.db2.gz HWEMZGVTUIEKKQ-VWYCJHECSA-N 0 3 241.379 0.829 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@H](F)C1)N(C)C ZINC000334842430 386888364 /nfs/dbraw/zinc/88/83/64/386888364.db2.gz SURGPUTWQVCNEK-IUCAKERBSA-N 0 3 202.273 0.897 20 0 BCADHN CS[C@@H](C)CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358082810 386888439 /nfs/dbraw/zinc/88/84/39/386888439.db2.gz UJOMRXFUJYOSLM-ONGXEEELSA-N 0 3 246.376 0.311 20 0 BCADHN CCN(CC)C[C@@H](C)NS(=O)(=O)NC1CC1 ZINC000331740105 386888457 /nfs/dbraw/zinc/88/84/57/386888457.db2.gz FKJFBCOKYKKISH-SECBINFHSA-N 0 3 249.380 0.303 20 0 BCADHN CC[C@]1(C)C[C@H]1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358075459 386889180 /nfs/dbraw/zinc/88/91/80/386889180.db2.gz SYTVMTJXHCXJET-CYZMBNFOSA-N 0 3 240.347 0.605 20 0 BCADHN CCCCCN1CCC[C@H]1CS(N)(=O)=O ZINC000330796590 386890653 /nfs/dbraw/zinc/89/06/53/386890653.db2.gz BIGJYIVBZUIZQD-JTQLQIEISA-N 0 3 234.365 0.930 20 0 BCADHN CCC1CC(NCCS(=O)(=O)N(C)C)C1 ZINC000336762307 386913597 /nfs/dbraw/zinc/91/35/97/386913597.db2.gz NQQXCXQYPDKYMD-UHFFFAOYSA-N 0 3 234.365 0.656 20 0 BCADHN C[C@@H]1C[C@@H]1N1C[C@H](N[C@H]2CCO[C@H]2C)CC1=O ZINC000358211699 386913598 /nfs/dbraw/zinc/91/35/98/386913598.db2.gz ZJGULFJIMDWBNO-LVEVGFFFSA-N 0 3 238.331 0.763 20 0 BCADHN C[C@@H](NC[C@]1(O)CCN(C)C1)c1ccccn1 ZINC000358226326 386914929 /nfs/dbraw/zinc/91/49/29/386914929.db2.gz DHXOEJSBVMDHCC-DGCLKSJQSA-N 0 3 235.331 0.799 20 0 BCADHN CS[C@@H]1CC[C@H]1N[C@H]1CCC(=O)N(C)C1=O ZINC000425355517 386917937 /nfs/dbraw/zinc/91/79/37/386917937.db2.gz MFTBAWKSBHYRJM-HRDYMLBCSA-N 0 3 242.344 0.617 20 0 BCADHN COC1CN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000349645155 386896279 /nfs/dbraw/zinc/89/62/79/386896279.db2.gz JWKJUTIVAZNLQG-SNVBAGLBSA-N 0 3 214.309 0.430 20 0 BCADHN C[C@H]1C(=O)NCCCN1CCC(C)(C)O ZINC000335760120 386897157 /nfs/dbraw/zinc/89/71/57/386897157.db2.gz WADKQOXDVHUQKD-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C[C@@](C)(O)C1CC1 ZINC000331766185 386898217 /nfs/dbraw/zinc/89/82/17/386898217.db2.gz OYLAVIGDCMPIDA-JOYOIKCWSA-N 0 3 228.336 0.604 20 0 BCADHN CN(C[C@H]1CCOC1)C(=O)[C@H]1CCCN1C ZINC000334851776 386902305 /nfs/dbraw/zinc/90/23/05/386902305.db2.gz LGAKGIVOZLBTCS-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN Cc1nnc(NC(=O)[C@H]2CN(C)C[C@H]2C)s1 ZINC000341450664 386906190 /nfs/dbraw/zinc/90/61/90/386906190.db2.gz INDBWDYMOYGNTF-SVRRBLITSA-N 0 3 240.332 0.983 20 0 BCADHN C[C@@H](NC[C@]1(O)CCN(C)C1)c1cnn(C)c1 ZINC000330889838 386911409 /nfs/dbraw/zinc/91/14/09/386911409.db2.gz VQFORQQNXABONT-ZYHUDNBSSA-N 0 3 238.335 0.137 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000332033846 386946506 /nfs/dbraw/zinc/94/65/06/386946506.db2.gz IDFVAWWOLPQFEL-ATZCPNFKSA-N 0 3 229.324 0.149 20 0 BCADHN CCC1(CC)[C@H](NCC(N)=O)[C@H](C)[C@@H]1OC ZINC000191396872 386947003 /nfs/dbraw/zinc/94/70/03/386947003.db2.gz VGAPRXSKPBLQMM-GDPRMGEGSA-N 0 3 228.336 0.901 20 0 BCADHN C[C@@H]1CN(Cc2ccncc2)[C@H](C)CN1CCO ZINC000418110202 386920335 /nfs/dbraw/zinc/92/03/35/386920335.db2.gz JDYNGTMEUGPEPC-CHWSQXEVSA-N 0 3 249.358 0.969 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H]1CCC[C@H]1O ZINC000330913088 386920691 /nfs/dbraw/zinc/92/06/91/386920691.db2.gz HGCISGGHNDUSHT-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@@H](C(=O)NC[C@@]1(OC)CCOC1)N(C)C ZINC000330913566 386920808 /nfs/dbraw/zinc/92/08/08/386920808.db2.gz XRAYXIWRMHKDRO-JQWIXIFHSA-N 0 3 244.335 0.248 20 0 BCADHN COC(=O)[C@H](C)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000330899441 386923276 /nfs/dbraw/zinc/92/32/76/386923276.db2.gz IYYMOKWMFVRKTR-GUBZILKMSA-N 0 3 242.319 0.537 20 0 BCADHN C[C@H](NC(=O)N(C)CCN(C)C)[C@H]1CCOC1 ZINC000341580020 386925885 /nfs/dbraw/zinc/92/58/85/386925885.db2.gz DYVZDKITEFEKAG-QWRGUYRKSA-N 0 3 243.351 0.614 20 0 BCADHN CCC[C@]1(CO)CCN(CC(=O)N2CCC2)C1 ZINC000367984941 386926068 /nfs/dbraw/zinc/92/60/68/386926068.db2.gz ZBVMZHJSQHEBPX-ZDUSSCGKSA-N 0 3 240.347 0.703 20 0 BCADHN C[C@@H]1CC[C@@H]1NC(=O)N(C)CCN(C)C ZINC000358271677 386926432 /nfs/dbraw/zinc/92/64/32/386926432.db2.gz DTNLCHJIKCTSPU-ZJUUUORDSA-N 0 3 213.325 0.988 20 0 BCADHN Cn1cc(CN2CCC[C@H]3CN(C)C[C@H]32)nn1 ZINC000425356875 386926479 /nfs/dbraw/zinc/92/64/79/386926479.db2.gz OFXBOCUZMGATKY-CMPLNLGQSA-N 0 3 235.335 0.341 20 0 BCADHN CCN(CCNC(=O)[C@](C)(O)C1CC1)C1CC1 ZINC000341586739 386927149 /nfs/dbraw/zinc/92/71/49/386927149.db2.gz BWICLRLIDKHYEV-CYBMUJFWSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1cnc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2N)o1 ZINC000331930134 386927095 /nfs/dbraw/zinc/92/70/95/386927095.db2.gz QQCHKDSPQWYQFE-PRJMDXOYSA-N 0 3 209.249 0.507 20 0 BCADHN Cc1ncncc1C(=O)N(C)C1CCN(C)CC1 ZINC000341586357 386928479 /nfs/dbraw/zinc/92/84/79/386928479.db2.gz DLRLWOXFBXSJIB-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN CCN(CCO)CCNC(=O)N[C@H]1CC[C@@H]1C ZINC000358295257 386928711 /nfs/dbraw/zinc/92/87/11/386928711.db2.gz XICCIYPRVLJIBS-QWRGUYRKSA-N 0 3 243.351 0.398 20 0 BCADHN CC[C@@H](CNC(=O)N1CCCNCC1)OC ZINC000331963764 386932779 /nfs/dbraw/zinc/93/27/79/386932779.db2.gz KQFURHZNMLWLPB-JTQLQIEISA-N 0 3 229.324 0.416 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000367308860 386934225 /nfs/dbraw/zinc/93/42/25/386934225.db2.gz FPEYJJNMGPUUNE-SNVBAGLBSA-N 0 3 236.319 0.507 20 0 BCADHN Cc1cncc(CN2CC[C@H]3C(=O)NC[C@H]3C2)c1 ZINC000368065720 386936713 /nfs/dbraw/zinc/93/67/13/386936713.db2.gz UUESFRDHABNOSH-QWHCGFSZSA-N 0 3 245.326 0.958 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)S(C)(=O)=O ZINC000114615741 386939756 /nfs/dbraw/zinc/93/97/56/386939756.db2.gz KBFHALWBSNLALL-SECBINFHSA-N 0 3 220.338 0.220 20 0 BCADHN CO[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000368112182 386942661 /nfs/dbraw/zinc/94/26/61/386942661.db2.gz BZOKXNFMWKQCQH-QEYWKRMJSA-N 0 3 230.283 0.370 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)N1CCSCC1 ZINC000334816330 386943687 /nfs/dbraw/zinc/94/36/87/386943687.db2.gz GVOFQKMFUCPZNN-SNVBAGLBSA-N 0 3 243.376 0.839 20 0 BCADHN Cn1ncc(CN2CC[C@H](N3CCCC3)C2)n1 ZINC000368134511 386945995 /nfs/dbraw/zinc/94/59/95/386945995.db2.gz YGVFWVOZYZNGGL-LBPRGKRZSA-N 0 3 235.335 0.485 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](COC)OC)N(C)C ZINC000358375813 386946055 /nfs/dbraw/zinc/94/60/55/386946055.db2.gz LDCHWXKGAFPYJM-UWVGGRQHSA-N 0 3 232.324 0.104 20 0 BCADHN C[C@@H](CO)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000368226050 386952582 /nfs/dbraw/zinc/95/25/82/386952582.db2.gz MMJZHWSWNYRKHH-JOYOIKCWSA-N 0 3 246.326 0.696 20 0 BCADHN CC(C(=O)NCc1ccn(C)c1)S(C)(=O)=O ZINC000331057923 386952819 /nfs/dbraw/zinc/95/28/19/386952819.db2.gz RAGUEEZEESGDNW-QMMMGPOBSA-N 0 3 244.316 0.074 20 0 BCADHN Cc1cccc(NCCN[C@@H](C)CC(N)=O)n1 ZINC000358409546 386953103 /nfs/dbraw/zinc/95/31/03/386953103.db2.gz WPVSHQVATFFMGM-JTQLQIEISA-N 0 3 236.319 0.655 20 0 BCADHN CN(C)C1(CNC(=O)c2csnn2)CCC1 ZINC000332063649 386953210 /nfs/dbraw/zinc/95/32/10/386953210.db2.gz ZMOJFKOXIZKSGA-UHFFFAOYSA-N 0 3 240.332 0.752 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC([C@H]2CCOC2)CC1 ZINC000368262320 386954540 /nfs/dbraw/zinc/95/45/40/386954540.db2.gz GHFZKADEBKDALA-RYUDHWBXSA-N 0 3 240.347 0.999 20 0 BCADHN O=C(CN1CCC[C@H]1CCCO)NC1CC1 ZINC000052762306 386960778 /nfs/dbraw/zinc/96/07/78/386960778.db2.gz WGWXRKHZPYBMKF-NSHDSACASA-N 0 3 226.320 0.502 20 0 BCADHN C[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2N)CCO1 ZINC000332137243 386963223 /nfs/dbraw/zinc/96/32/23/386963223.db2.gz LDOCCQGUZLUKEF-KYXWUPHJSA-N 0 3 212.293 0.265 20 0 BCADHN C[C@@H]1CN(C(=O)c2cccn(C)c2=O)[C@H](C)CN1 ZINC000334890279 386963512 /nfs/dbraw/zinc/96/35/12/386963512.db2.gz DZFGYDFBGBDMJX-NXEZZACHSA-N 0 3 249.314 0.208 20 0 BCADHN CCN(CCOCCO)C[C@@H]1CC[C@@H](C)O1 ZINC000304193482 386963870 /nfs/dbraw/zinc/96/38/70/386963870.db2.gz AYTBGBBICTWMFZ-NEPJUHHUSA-N 0 3 231.336 0.885 20 0 BCADHN C[C@@H]1CN(C(=O)c2cccn(C)c2=O)[C@@H](C)CN1 ZINC000334890288 386964580 /nfs/dbraw/zinc/96/45/80/386964580.db2.gz DZFGYDFBGBDMJX-ZJUUUORDSA-N 0 3 249.314 0.208 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000332165906 386964818 /nfs/dbraw/zinc/96/48/18/386964818.db2.gz SACRFBHMKPXQFB-AXTSPUMRSA-N 0 3 212.293 0.001 20 0 BCADHN CC[C@]1(C)C[C@H]1C(=O)NC[C@H]1CNCCO1 ZINC000332191350 386966412 /nfs/dbraw/zinc/96/64/12/386966412.db2.gz ZIWYGRDFHJLRBH-JFGNBEQYSA-N 0 3 226.320 0.527 20 0 BCADHN NC(C(=O)N1C[C@H]2CC[C@@H](C1)O2)C(F)(F)F ZINC000352916257 386966933 /nfs/dbraw/zinc/96/69/33/386966933.db2.gz QBKGVRVNOJKAMU-XVMARJQXSA-N 0 3 238.209 0.266 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCC(F)F ZINC000358500471 386967208 /nfs/dbraw/zinc/96/72/08/386967208.db2.gz MNGRWNRSBFBTQO-ZCFIWIBFSA-N 0 3 209.240 0.501 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ncc(C(C)=O)s1 ZINC000352919516 386968104 /nfs/dbraw/zinc/96/81/04/386968104.db2.gz YELJGGOXRCADMT-ZCFIWIBFSA-N 0 3 243.288 0.258 20 0 BCADHN C[C@H](CCO)CNC(=O)N[C@H](C)CN(C)C ZINC000358502416 386968203 /nfs/dbraw/zinc/96/82/03/386968203.db2.gz PGROOQIATIGHMM-NXEZZACHSA-N 0 3 231.340 0.254 20 0 BCADHN CC(C)N(C[C@H](C)O)C(=O)N[C@H](C)CN(C)C ZINC000358502772 386969124 /nfs/dbraw/zinc/96/91/24/386969124.db2.gz PLPIWMJJAWQPFY-MNOVXSKESA-N 0 3 245.367 0.737 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(C)[C@@H]1CCC[C@@H]1O ZINC000358501814 386969690 /nfs/dbraw/zinc/96/96/90/386969690.db2.gz OJVCDZFGYMZFAW-MXWKQRLJSA-N 0 3 243.351 0.491 20 0 BCADHN CC(C)N(C[C@@H](C)O)C(=O)N[C@H](C)CN(C)C ZINC000358502771 386969948 /nfs/dbraw/zinc/96/99/48/386969948.db2.gz PLPIWMJJAWQPFY-GHMZBOCLSA-N 0 3 245.367 0.737 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)CC3(O)CCC3)C[C@@H]21 ZINC000334897536 386970514 /nfs/dbraw/zinc/97/05/14/386970514.db2.gz IWSZYENWHKZMQL-MNOVXSKESA-N 0 3 238.331 0.454 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)C3(C)COC3)C[C@@H]21 ZINC000334898277 386970535 /nfs/dbraw/zinc/97/05/35/386970535.db2.gz NTQNIXJBFSLUTP-ZJUUUORDSA-N 0 3 224.304 0.185 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC(C)(C)CF ZINC000358512874 386971259 /nfs/dbraw/zinc/97/12/59/386971259.db2.gz YGCLEAZUCRZYOJ-MRVPVSSYSA-N 0 3 219.304 0.984 20 0 BCADHN COCC1(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000334898283 386971250 /nfs/dbraw/zinc/97/12/50/386971250.db2.gz NWHXVEVEUHYQJV-WDEREUQCSA-N 0 3 238.331 0.576 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@H]1CCc2ccccc21 ZINC000352955638 386972891 /nfs/dbraw/zinc/97/28/91/386972891.db2.gz LIZLQDZGKFSJPK-DGCLKSJQSA-N 0 3 248.326 0.806 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H](CO)C1 ZINC000358528908 386972980 /nfs/dbraw/zinc/97/29/80/386972980.db2.gz QFUXWMQSGDFZSI-WDEREUQCSA-N 0 3 243.351 0.350 20 0 BCADHN CN(CCC1OCCO1)[C@H]1CCCCNC1=O ZINC000368435734 386973133 /nfs/dbraw/zinc/97/31/33/386973133.db2.gz NIEIEDWJPRUMAV-JTQLQIEISA-N 0 3 242.319 0.350 20 0 BCADHN CCCCN(C)CCNC(=O)[C@@](C)(O)C1CC1 ZINC000341810928 386973452 /nfs/dbraw/zinc/97/34/52/386973452.db2.gz VOOKCPHVJQMMRQ-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CSCCN(C)C(=O)N[C@@H](C)CN(C)C ZINC000358530549 386973563 /nfs/dbraw/zinc/97/35/63/386973563.db2.gz RJNKKTQXTAGXRX-VIFPVBQESA-N 0 3 233.381 0.941 20 0 BCADHN C[C@@]1(CNC(=O)C(N)C(F)(F)F)CCCO1 ZINC000352948524 386973647 /nfs/dbraw/zinc/97/36/47/386973647.db2.gz DVEJCZFEDNSWCN-SVRRBLITSA-N 0 3 240.225 0.561 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1C[C@@H](C)OC[C@H]1C ZINC000358523970 386974035 /nfs/dbraw/zinc/97/40/35/386974035.db2.gz LYKHEQMWILQRHQ-GMTAPVOTSA-N 0 3 243.351 0.755 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)CCCCO ZINC000358523083 386974231 /nfs/dbraw/zinc/97/42/31/386974231.db2.gz SJHZHBLPOHVTGS-JTQLQIEISA-N 0 3 231.340 0.350 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000352947994 386974474 /nfs/dbraw/zinc/97/44/74/386974474.db2.gz RRVXABFEQMVWLI-FOGDFJRCSA-N 0 3 244.335 0.018 20 0 BCADHN Cc1cc(NC(=O)[C@@H]2CCCCN2)c(=O)n(C)c1 ZINC000334900181 386974527 /nfs/dbraw/zinc/97/45/27/386974527.db2.gz VVNCRXHENOVFHC-JTQLQIEISA-N 0 3 249.314 0.774 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCC(C)(C)O ZINC000358537371 386976782 /nfs/dbraw/zinc/97/67/82/386976782.db2.gz ZYMUZRMCNYWEQA-QMMMGPOBSA-N 0 3 217.313 0.007 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CCC[C@H]1CCO ZINC000334903070 386977068 /nfs/dbraw/zinc/97/70/68/386977068.db2.gz GUCOFTGKFSQPGK-QWRGUYRKSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CCC(CO)CC1 ZINC000358533245 386977099 /nfs/dbraw/zinc/97/70/99/386977099.db2.gz UTGPHDFRZQVVLW-SNVBAGLBSA-N 0 3 243.351 0.350 20 0 BCADHN CC(C(=O)N[C@@H]1CC12CCCC2)S(C)(=O)=O ZINC000334903918 386978224 /nfs/dbraw/zinc/97/82/24/386978224.db2.gz MBBQCPNGPVMUHJ-DTWKUNHWSA-N 0 3 245.344 0.868 20 0 BCADHN CNS(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000368474945 386979190 /nfs/dbraw/zinc/97/91/90/386979190.db2.gz QCJDWARRDAJMHI-UHFFFAOYSA-N 0 3 247.364 0.011 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)O ZINC000332436901 386979364 /nfs/dbraw/zinc/97/93/64/386979364.db2.gz CPCYDZRPPKJBBR-VHSXEESVSA-N 0 3 216.325 0.602 20 0 BCADHN CO[C@H](C)C[N@@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000332423731 386979471 /nfs/dbraw/zinc/97/94/71/386979471.db2.gz TUFFZYYQAYPAAY-RKDXNWHRSA-N 0 3 210.281 0.629 20 0 BCADHN CO[C@H](C)C[N@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000332423731 386979477 /nfs/dbraw/zinc/97/94/77/386979477.db2.gz TUFFZYYQAYPAAY-RKDXNWHRSA-N 0 3 210.281 0.629 20 0 BCADHN C[C@@H](NCC1(CO)CCC1)c1ccc(=O)[nH]n1 ZINC000332450129 386980057 /nfs/dbraw/zinc/98/00/57/386980057.db2.gz FWTYATBYWXLXPA-SECBINFHSA-N 0 3 237.303 0.995 20 0 BCADHN CC(C)COC[C@@H](O)CN(C)C1(CO)CC1 ZINC000353023829 386980264 /nfs/dbraw/zinc/98/02/64/386980264.db2.gz GGKLCAPHOCQACS-NSHDSACASA-N 0 3 231.336 0.477 20 0 BCADHN CN(CCN1CCCC1=O)C1(CO)CC1 ZINC000353020886 386980511 /nfs/dbraw/zinc/98/05/11/386980511.db2.gz BMQRPLNAYPVVAJ-UHFFFAOYSA-N 0 3 212.293 0.066 20 0 BCADHN C[C@H]1OCC[C@H]1N(CCO)CCC(C)(C)O ZINC000331130972 386983417 /nfs/dbraw/zinc/98/34/17/386983417.db2.gz BJEFIWCWAKPTBC-GHMZBOCLSA-N 0 3 231.336 0.619 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)CC(C)(C)O)N(C)C ZINC000332476498 386983840 /nfs/dbraw/zinc/98/38/40/386983840.db2.gz AKHWTURGMNOKRP-ZJUUUORDSA-N 0 3 230.352 0.992 20 0 BCADHN CC(C)N(C)CC(=O)N[C@](C)(CO)C(C)C ZINC000332476508 386984183 /nfs/dbraw/zinc/98/41/83/386984183.db2.gz ALGAHNMBIOLDID-GFCCVEGCSA-N 0 3 230.352 0.850 20 0 BCADHN C[C@H]1C[C@@H](CO)CN(CC(=O)NC(C)(C)C)C1 ZINC000398749166 386984863 /nfs/dbraw/zinc/98/48/63/386984863.db2.gz APDUOTZTUQIHEU-WDEREUQCSA-N 0 3 242.363 0.851 20 0 BCADHN CC(F)(F)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000368560506 386986371 /nfs/dbraw/zinc/98/63/71/386986371.db2.gz FKIWFKSHHQKZPL-IUCAKERBSA-N 0 3 248.273 0.621 20 0 BCADHN CN(C)CC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000368592158 386988388 /nfs/dbraw/zinc/98/83/88/386988388.db2.gz PMQFJOGHOPYBTP-WDEREUQCSA-N 0 3 225.336 0.101 20 0 BCADHN O=C1NCCN1CCN1CCC[C@]12CCOC2 ZINC000368565264 386988758 /nfs/dbraw/zinc/98/87/58/386988758.db2.gz BYVHVCSWLXBKTE-GFCCVEGCSA-N 0 3 239.319 0.267 20 0 BCADHN CC(C)[C@@H](CO)C(=O)N[C@@H](C)CN(C)C ZINC000332518322 386989625 /nfs/dbraw/zinc/98/96/25/386989625.db2.gz QFLAWIWYKXXMJJ-VHSXEESVSA-N 0 3 216.325 0.317 20 0 BCADHN CO[C@H](CN)C(=O)N1CCS[C@H](C(C)C)C1 ZINC000353015775 386990257 /nfs/dbraw/zinc/99/02/57/386990257.db2.gz VEFGLJDRJGMOTR-ZJUUUORDSA-N 0 3 246.376 0.560 20 0 BCADHN Cc1cnn(CCN(C)C2CC(O)C2)c1 ZINC000341909723 386990691 /nfs/dbraw/zinc/99/06/91/386990691.db2.gz IYWXNOLCEIEIRF-UHFFFAOYSA-N 0 3 209.293 0.647 20 0 BCADHN C[C@@H](CCO)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000331218503 386990786 /nfs/dbraw/zinc/99/07/86/386990786.db2.gz RXHRYPYLAKQNKP-SDDRHHMPSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](NC(=O)CN(C)C(C)C)[C@@H](C)O ZINC000332524469 386991184 /nfs/dbraw/zinc/99/11/84/386991184.db2.gz UFZXKHLUASTMNX-ZJUUUORDSA-N 0 3 216.325 0.602 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)[nH]n1 ZINC000368593979 386991214 /nfs/dbraw/zinc/99/12/14/386991214.db2.gz QPUOKBYEDAQYSY-ZYHUDNBSSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)n[nH]1 ZINC000368593979 386991218 /nfs/dbraw/zinc/99/12/18/386991218.db2.gz QPUOKBYEDAQYSY-ZYHUDNBSSA-N 0 3 248.330 0.884 20 0 BCADHN CC[C@H](NC(=O)C1CCN(C)CC1)C(C)(C)O ZINC000358631991 386991471 /nfs/dbraw/zinc/99/14/71/386991471.db2.gz MWYDKVQTGKKESO-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@H]2CO[C@@H](C)C2)C1 ZINC000525893602 386991793 /nfs/dbraw/zinc/99/17/93/386991793.db2.gz KXIHMFZNOKXBDW-GRYCIOLGSA-N 0 3 240.347 0.869 20 0 BCADHN CCN(CCNCc1cnnn1CC)C1CC1 ZINC000417893946 386991878 /nfs/dbraw/zinc/99/18/78/386991878.db2.gz SLLCOEUZNNJVDD-UHFFFAOYSA-N 0 3 237.351 0.872 20 0 BCADHN CC[C@@H](NC(=O)C(C)S(C)(=O)=O)C(C)C ZINC000332530588 386992457 /nfs/dbraw/zinc/99/24/57/386992457.db2.gz XUCIGKBXVIJLRM-DTWKUNHWSA-N 0 3 235.349 0.970 20 0 BCADHN O=C(NCCN1CCCC1)c1cc2n(n1)CCC2 ZINC000648098066 386993539 /nfs/dbraw/zinc/99/35/39/386993539.db2.gz XHNOOGDJZNSWIS-UHFFFAOYSA-N 0 3 248.330 0.655 20 0 BCADHN O=C(NCCN1CCCC1)c1cnn2c1CCC2 ZINC000648098036 386994106 /nfs/dbraw/zinc/99/41/06/386994106.db2.gz DXYJLVMBDRWCAJ-UHFFFAOYSA-N 0 3 248.330 0.655 20 0 BCADHN Cc1nc(CN2CCCC[C@@H]2C(=N)NO)no1 ZINC000368630894 386995430 /nfs/dbraw/zinc/99/54/30/386995430.db2.gz DJSKXBCSLUIUEX-MRVPVSSYSA-N 0 3 239.279 0.689 20 0 BCADHN CCOCC[C@@H](O)CN1CCC[C@H](O)C1 ZINC000331236390 386996847 /nfs/dbraw/zinc/99/68/47/386996847.db2.gz KPIIMMUSWPDDJX-WDEREUQCSA-N 0 3 217.309 0.231 20 0 BCADHN C[C@H]1CNCCN1C(=O)NC[C@@H]1CCCN1C ZINC000334921170 386997518 /nfs/dbraw/zinc/99/75/18/386997518.db2.gz DLGMIPHDFUFFDL-QWRGUYRKSA-N 0 3 240.351 0.084 20 0 BCADHN C[C@@H]1CNCCN1C(=O)NC[C@@H]1CCCN1C ZINC000334921169 386997668 /nfs/dbraw/zinc/99/76/68/386997668.db2.gz DLGMIPHDFUFFDL-MNOVXSKESA-N 0 3 240.351 0.084 20 0 BCADHN CN(CCn1cccn1)[C@@H]1CCC(=O)N(C)C1 ZINC000519068160 386998651 /nfs/dbraw/zinc/99/86/51/386998651.db2.gz QCUMATXWYBJWQL-LLVKDONJSA-N 0 3 236.319 0.436 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](CN)OC)C1CCOCC1 ZINC000353032333 386999722 /nfs/dbraw/zinc/99/97/22/386999722.db2.gz VYNLPVZHKXSUEI-GHMZBOCLSA-N 0 3 244.335 0.282 20 0 BCADHN CCN(C(=O)C12CCCN1CCC2)[C@@H](C)CO ZINC000358749979 387003663 /nfs/dbraw/zinc/00/36/63/387003663.db2.gz FBUXQZVIZIEZTN-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](Cn1cncn1)N[C@@H](C)c1ccnn1C ZINC000331330076 387005619 /nfs/dbraw/zinc/00/56/19/387005619.db2.gz HBTUYUCKGFLJGI-ZJUUUORDSA-N 0 3 234.307 0.751 20 0 BCADHN CC(C)N(C)C(=O)CN1C[C@H](C)C[C@H](CO)C1 ZINC000398849907 387008940 /nfs/dbraw/zinc/00/89/40/387008940.db2.gz USJNRGJMBIVUHO-NEPJUHHUSA-N 0 3 242.363 0.804 20 0 BCADHN CC[C@H](O)CC(=O)NCC1(N(C)C)CCC1 ZINC000332054565 386949814 /nfs/dbraw/zinc/94/98/14/386949814.db2.gz OEMWDYQQHTYZNT-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)C(C)(C)N)C1(C)C ZINC000332055403 386949880 /nfs/dbraw/zinc/94/98/80/386949880.db2.gz OKGZATMMXZRMPO-DJLDLDEBSA-N 0 3 228.336 0.899 20 0 BCADHN COCC[C@H]1COCCN1CCCCCO ZINC000368238424 386952160 /nfs/dbraw/zinc/95/21/60/386952160.db2.gz CXRUWYYKICZECY-LBPRGKRZSA-N 0 3 231.336 0.886 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@@]1(C)CCOC1 ZINC000336764016 387031472 /nfs/dbraw/zinc/03/14/72/387031472.db2.gz PSYAINHFNMTFNS-NXEZZACHSA-N 0 3 235.349 0.436 20 0 BCADHN CS[C@@H]1CC[C@H]1N[C@@H](C)C(=O)NCCF ZINC000425380398 387031599 /nfs/dbraw/zinc/03/15/99/387031599.db2.gz LRYVYBLQJBDNMZ-DJLDLDEBSA-N 0 3 234.340 0.944 20 0 BCADHN CC(=O)C[C@H](C)NC(=O)[C@@H]1CN2CCC1CC2 ZINC000367329324 387033395 /nfs/dbraw/zinc/03/33/95/387033395.db2.gz FLBANROSPKFIHY-JOYOIKCWSA-N 0 3 238.331 0.812 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1nccs1 ZINC000645534025 387034382 /nfs/dbraw/zinc/03/43/82/387034382.db2.gz FXTZYJDBQKPBLD-MRVPVSSYSA-N 0 3 225.317 0.757 20 0 BCADHN CC1(C)C[C@@H](N[C@@H]2CC(=O)N(C3CC3)C2)CO1 ZINC000334956245 387034644 /nfs/dbraw/zinc/03/46/44/387034644.db2.gz UWWURNXQZAOFKZ-NXEZZACHSA-N 0 3 238.331 0.907 20 0 BCADHN COCCN1CCN(C[C@@H](OC)C2CC2)CC1 ZINC000425386388 387035749 /nfs/dbraw/zinc/03/57/49/387035749.db2.gz RKPNRDRCUJKVTP-CYBMUJFWSA-N 0 3 242.363 0.675 20 0 BCADHN Cn1nncc1CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333448677 387036257 /nfs/dbraw/zinc/03/62/57/387036257.db2.gz YAKHYZPOMJNWLW-UMNHJUIQSA-N 0 3 236.319 0.408 20 0 BCADHN CCOCC[C@@H](O)CN1CCOC[C@H](C)C1 ZINC000369319221 387038110 /nfs/dbraw/zinc/03/81/10/387038110.db2.gz LLOAGOQHGWWPLC-VXGBXAGGSA-N 0 3 231.336 0.742 20 0 BCADHN CCC1(CNC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000333486454 387039641 /nfs/dbraw/zinc/03/96/41/387039641.db2.gz BZRKLJXXMVDCKU-JTQLQIEISA-N 0 3 241.335 0.464 20 0 BCADHN C[C@@H](CC1CC1)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188555569 387041019 /nfs/dbraw/zinc/04/10/19/387041019.db2.gz YPJHUSIZBGDSJW-UJNFCWOMSA-N 0 3 214.284 0.991 20 0 BCADHN Cc1nc(C)n([C@H]2CCCN(C[C@H](C)O)C2)n1 ZINC000369390344 387042231 /nfs/dbraw/zinc/04/22/31/387042231.db2.gz ZJEIFHFYILKIJI-CABZTGNLSA-N 0 3 238.335 0.913 20 0 BCADHN C[C@H]1NCCN(C(=O)N[C@@H]2CCCOC2)[C@H]1C ZINC000333555892 387042355 /nfs/dbraw/zinc/04/23/55/387042355.db2.gz KVMZTFAYPDFEJD-OUAUKWLOSA-N 0 3 241.335 0.557 20 0 BCADHN CCC1(NC(=O)NC[C@@H]2CNCCO2)CCC1 ZINC000333585604 387046737 /nfs/dbraw/zinc/04/67/37/387046737.db2.gz UPEFRKKNUWZYLE-JTQLQIEISA-N 0 3 241.335 0.607 20 0 BCADHN CC1(C)C[C@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000333650124 387047683 /nfs/dbraw/zinc/04/76/83/387047683.db2.gz VPYPEDJYMKVMOQ-VHSXEESVSA-N 0 3 241.335 0.320 20 0 BCADHN CN(C[C@@H]1CCOC1)C(=O)[C@@H](N)C1CCC1 ZINC000399040476 387048442 /nfs/dbraw/zinc/04/84/42/387048442.db2.gz UKOUFXBSVVSRTH-ONGXEEELSA-N 0 3 226.320 0.609 20 0 BCADHN C[C@@H]1[C@H](CO)CCN1Cc1cncnc1 ZINC000425958820 387048526 /nfs/dbraw/zinc/04/85/26/387048526.db2.gz HLSOHYLGNVLUIT-KOLCDFICSA-N 0 3 207.277 0.679 20 0 BCADHN COC1(C(=O)NC[C@H]2CCCN2C)CCC1 ZINC000359042800 387048841 /nfs/dbraw/zinc/04/88/41/387048841.db2.gz PUIUREALCKISKT-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN COC[C@@H](N[C@@H](C)COC)[C@@H]1CCCO1 ZINC000336764464 387049210 /nfs/dbraw/zinc/04/92/10/387049210.db2.gz QAFDFHAQGRHCTQ-AXFHLTTASA-N 0 3 217.309 0.805 20 0 BCADHN COC1(C(=O)NC[C@@H](C)N(C)C)CCC1 ZINC000359044518 387049809 /nfs/dbraw/zinc/04/98/09/387049809.db2.gz SKUFGCRKPPUVAS-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H](CCO)NC(=O)CN(CC)CC ZINC000305164320 387050011 /nfs/dbraw/zinc/05/00/11/387050011.db2.gz CMBCIAXZARUCAM-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN C[C@H]1OCC[C@H]1NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000333680644 387050128 /nfs/dbraw/zinc/05/01/28/387050128.db2.gz ZQFAUFKMLZHPCW-LMLFDSFASA-N 0 3 241.335 0.556 20 0 BCADHN O=C1OC[C@H]2CN(C[C@H]3CCSC3)CCN12 ZINC000369486270 387050325 /nfs/dbraw/zinc/05/03/25/387050325.db2.gz VAKRGGIETVKWFW-NXEZZACHSA-N 0 3 242.344 0.876 20 0 BCADHN COC1(C(=O)NCCN(C)C)CCC1 ZINC000359070419 387052561 /nfs/dbraw/zinc/05/25/61/387052561.db2.gz YXSUEXYHAADUMO-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN CCCCOCC(=O)NCCN(C)CC ZINC000118342485 387053901 /nfs/dbraw/zinc/05/39/01/387053901.db2.gz ZEJUKWZKOFOXCZ-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN CCCNC(=O)[C@@H](C)N[C@@H](C)[C@@H](C)OC ZINC000191705570 387054431 /nfs/dbraw/zinc/05/44/31/387054431.db2.gz LGVSAHINKWALPH-IVZWLZJFSA-N 0 3 216.325 0.914 20 0 BCADHN C[C@@H]1NCCN(C(=O)NC[C@H]2CCCO2)[C@H]1C ZINC000333789502 387056254 /nfs/dbraw/zinc/05/62/54/387056254.db2.gz MGMNARDAMILEDE-GARJFASQSA-N 0 3 241.335 0.557 20 0 BCADHN CCN(CC)C(=O)CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228099106 387067200 /nfs/dbraw/zinc/06/72/00/387067200.db2.gz KNFVBDHKCUSHJP-QJPTWQEYSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCNC[C@](C)(F)C1 ZINC000334973378 387057843 /nfs/dbraw/zinc/05/78/43/387057843.db2.gz OEKWRXTWQJECDE-KOLCDFICSA-N 0 3 231.315 0.097 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000334024535 387059063 /nfs/dbraw/zinc/05/90/63/387059063.db2.gz KXQLGPYEYPWUIN-QWRGUYRKSA-N 0 3 243.351 0.662 20 0 BCADHN Cc1cnn(CCN2CCNC[C@](C)(F)C2)c1 ZINC000334974077 387060366 /nfs/dbraw/zinc/06/03/66/387060366.db2.gz RBNAYZLQBAPYGG-LBPRGKRZSA-N 0 3 240.326 0.825 20 0 BCADHN CC(C)C(=O)NCCN(C)CC(C)(C)O ZINC000305730984 387061421 /nfs/dbraw/zinc/06/14/21/387061421.db2.gz NLODYLIVPNSACX-UHFFFAOYSA-N 0 3 216.325 0.461 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2)[C@H]1C ZINC000188669946 387063182 /nfs/dbraw/zinc/06/31/82/387063182.db2.gz HFWHKEBRSJPYQA-XFWSIPNHSA-N 0 3 214.284 0.943 20 0 BCADHN NC(=O)[C@H]1CCCN1CC[C@@H]1CCCO1 ZINC000188674599 387063496 /nfs/dbraw/zinc/06/34/96/387063496.db2.gz KJCOEYZPFSMLNE-VHSXEESVSA-N 0 3 212.293 0.505 20 0 BCADHN CN(C(=O)CN1CCNC[C@](C)(F)C1)C1CC1 ZINC000334978121 387065042 /nfs/dbraw/zinc/06/50/42/387065042.db2.gz XWZBRMRYNIDHDB-LBPRGKRZSA-N 0 3 243.326 0.241 20 0 BCADHN COC(=O)CC1(NCC(=O)NC(C)C)CCC1 ZINC000353037194 387011978 /nfs/dbraw/zinc/01/19/78/387011978.db2.gz KFNJVAFLZQBYQE-UHFFFAOYSA-N 0 3 242.319 0.586 20 0 BCADHN C[C@H](CO)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000331307305 387012520 /nfs/dbraw/zinc/01/25/20/387012520.db2.gz FGSDLJUFLDSTAM-GARJFASQSA-N 0 3 228.336 0.604 20 0 BCADHN CCN(CCC(C)(C)O)[C@@H]1CCNC1=O ZINC000331305292 387012814 /nfs/dbraw/zinc/01/28/14/387012814.db2.gz RFZWRPFMGRRDHK-SECBINFHSA-N 0 3 214.309 0.358 20 0 BCADHN CC(C)COC[C@@H](O)CN1C[C@@H](O)C2(CC2)C1 ZINC000368793130 387013320 /nfs/dbraw/zinc/01/33/20/387013320.db2.gz SGHPZBZSQVJEQY-NWDGAFQWSA-N 0 3 243.347 0.477 20 0 BCADHN CO[C@H]1CCC[C@@H]1CNC(=O)NCCN(C)C ZINC000342002967 387013930 /nfs/dbraw/zinc/01/39/30/387013930.db2.gz MJAQWJGWLIQPDL-MNOVXSKESA-N 0 3 243.351 0.662 20 0 BCADHN CCOC1(C)CN(C[C@@H](O)CN(C)C2CC2)C1 ZINC000398925579 387020342 /nfs/dbraw/zinc/02/03/42/387020342.db2.gz WFYDQXAIUGUMJS-LBPRGKRZSA-N 0 3 242.363 0.552 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)N2CCCNCC2)C1 ZINC000334943470 387020568 /nfs/dbraw/zinc/02/05/68/387020568.db2.gz HBLNBNCZUCUKQP-WDEREUQCSA-N 0 3 241.335 0.559 20 0 BCADHN C[C@@H](CO)N1CCCN(Cc2c[nH]cn2)CC1 ZINC000368966023 387022470 /nfs/dbraw/zinc/02/24/70/387022470.db2.gz MYVYDJYKAKQGPK-NSHDSACASA-N 0 3 238.335 0.298 20 0 BCADHN CCN(C)C[C@H](O)Cn1cnc(C)c(C)c1=O ZINC000395555584 387023765 /nfs/dbraw/zinc/02/37/65/387023765.db2.gz CAXNYBFVLSVOBN-NSHDSACASA-N 0 3 239.319 0.173 20 0 BCADHN O=C1NC[C@@]2(CCCN(C[C@H]3CCCO3)C2)O1 ZINC000369030939 387024354 /nfs/dbraw/zinc/02/43/54/387024354.db2.gz NJPHOZXPPQLBFA-ZYHUDNBSSA-N 0 3 240.303 0.740 20 0 BCADHN CCN(C(=O)C1CCN(C)CC1)[C@H](C)CO ZINC000358861889 387025417 /nfs/dbraw/zinc/02/54/17/387025417.db2.gz YZPKVMZVJRHKAX-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN CCN(CC)CC(=O)N(CC)[C@@H](C)CO ZINC000358862636 387025769 /nfs/dbraw/zinc/02/57/69/387025769.db2.gz ZRWZQRMJAVHBEK-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN CO[C@@]1(C)CCCN([C@@H](C)C(=O)N(C)C)C1 ZINC000336225148 387066145 /nfs/dbraw/zinc/06/61/45/387066145.db2.gz RPIXNHXOHSKKQC-JQWIXIFHSA-N 0 3 228.336 0.964 20 0 BCADHN CN(C)[C@@H](CC(=O)N1CC(O)C1)c1ccccc1 ZINC000514647507 387027350 /nfs/dbraw/zinc/02/73/50/387027350.db2.gz LYQMHWHCJRNGMW-ZDUSSCGKSA-N 0 3 248.326 0.883 20 0 BCADHN CN1CCN(C(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000648105831 387027509 /nfs/dbraw/zinc/02/75/09/387027509.db2.gz KCODWWYNBSLHNJ-SECBINFHSA-N 0 3 247.289 0.005 20 0 BCADHN CO[C@@H]1CCC[C@@H]1CNCc1cn(C)nn1 ZINC000336763884 387027880 /nfs/dbraw/zinc/02/78/80/387027880.db2.gz MPHLDQUGDAZRGP-MWLCHTKSSA-N 0 3 224.308 0.720 20 0 BCADHN CN(CC[C@@H]1CCNC1=O)Cc1cnn(C)c1 ZINC000519176989 387027908 /nfs/dbraw/zinc/02/79/08/387027908.db2.gz PPVXBLBYQCNFHS-NSHDSACASA-N 0 3 236.319 0.378 20 0 BCADHN CO[C@@H]1CCC[C@H]1CNCc1cn(C)nn1 ZINC000336763882 387028032 /nfs/dbraw/zinc/02/80/32/387028032.db2.gz MPHLDQUGDAZRGP-GXSJLCMTSA-N 0 3 224.308 0.720 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCCN(C)CC2)C1 ZINC000519176549 387028417 /nfs/dbraw/zinc/02/84/17/387028417.db2.gz BBQWTNHTMVDMRN-LBPRGKRZSA-N 0 3 239.363 0.492 20 0 BCADHN COC(=O)c1ncn(C[C@H](C)N(C)C)n1 ZINC000358887241 387029420 /nfs/dbraw/zinc/02/94/20/387029420.db2.gz ZVYCLJDQWZGEOP-ZETCQYMHSA-N 0 3 212.253 0.015 20 0 BCADHN NC1(C(=O)N2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000085541615 387069824 /nfs/dbraw/zinc/06/98/24/387069824.db2.gz SWBMPAASGPEDTI-AOOOYVTPSA-N 0 3 224.304 0.648 20 0 BCADHN CS[C@@H]1CCN(C[C@H]2COCCO2)C1 ZINC000336236949 387073314 /nfs/dbraw/zinc/07/33/14/387073314.db2.gz AFDGTDGTOTVUBF-VHSXEESVSA-N 0 3 217.334 0.839 20 0 BCADHN COC[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000359256871 387074169 /nfs/dbraw/zinc/07/41/69/387074169.db2.gz ZXUGHVFGVGSGKY-GHMZBOCLSA-N 0 3 230.352 0.971 20 0 BCADHN CC(C)[C@@H]1CCCN(CC(=O)NC(N)=O)CC1 ZINC000114729669 387075416 /nfs/dbraw/zinc/07/54/16/387075416.db2.gz MZKCLVXHYPHRTN-SNVBAGLBSA-N 0 3 241.335 0.939 20 0 BCADHN C[C@H](F)CCN1CC[C@H]2[C@H](C1)NC(=O)N2C ZINC000352377080 387130438 /nfs/dbraw/zinc/13/04/38/387130438.db2.gz WTIDXTPOGSSIPR-GUBZILKMSA-N 0 3 229.299 0.832 20 0 BCADHN CCN(C)C(=O)CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228104589 387076256 /nfs/dbraw/zinc/07/62/56/387076256.db2.gz YYBBTENEDDGXNB-HBNTYKKESA-N 0 3 226.320 0.167 20 0 BCADHN CN(CCNC(=O)N(C)C1CC1)C1CC1 ZINC000359276901 387076676 /nfs/dbraw/zinc/07/66/76/387076676.db2.gz BHLDGLCRGYFOOE-UHFFFAOYSA-N 0 3 211.309 0.884 20 0 BCADHN O=C(CN1C[C@H]2CCC[C@@H](C1)N2)N1CCCC1 ZINC000334988711 387076804 /nfs/dbraw/zinc/07/68/04/387076804.db2.gz BJCGZCFZFJYJBG-TXEJJXNPSA-N 0 3 237.347 0.435 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1[C@@H](C)C1(F)F)N(C)C ZINC000359287424 387078454 /nfs/dbraw/zinc/07/84/54/387078454.db2.gz AOUNNLBXAYZLSQ-PRJMDXOYSA-N 0 3 220.263 0.954 20 0 BCADHN CC(C)N1CC[C@H](N[C@@H]2CCO[C@H]2C)C1=O ZINC000246366729 387080025 /nfs/dbraw/zinc/08/00/25/387080025.db2.gz IZNGCTLJHPPUAS-AXFHLTTASA-N 0 3 226.320 0.763 20 0 BCADHN CCCC[C@H](N)C(=O)NCc1nncn1CC ZINC000228329336 387080718 /nfs/dbraw/zinc/08/07/18/387080718.db2.gz RIRXRABIPBQREM-VIFPVBQESA-N 0 3 239.323 0.432 20 0 BCADHN Cn1cccc1CNC[C@@H](O)COCC1CC1 ZINC000118956751 387082847 /nfs/dbraw/zinc/08/28/47/387082847.db2.gz WQNWPSAQMBOVOX-CYBMUJFWSA-N 0 3 238.331 0.902 20 0 BCADHN COC[C@H](NC[C@H](C)OC)[C@@H]1CCCO1 ZINC000336765806 387083046 /nfs/dbraw/zinc/08/30/46/387083046.db2.gz REPMDWXHRQRJRA-DCAQKATOSA-N 0 3 217.309 0.805 20 0 BCADHN CN(CCO)C[C@H](O)CC(F)(F)F ZINC000188708375 387083427 /nfs/dbraw/zinc/08/34/27/387083427.db2.gz HEQMAZVCPLWWBZ-ZCFIWIBFSA-N 0 3 201.188 0.224 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCCOC1 ZINC000334995707 387085911 /nfs/dbraw/zinc/08/59/11/387085911.db2.gz FBJHOXBBJPJAAT-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCCC[C@H](CO)C1 ZINC000370070837 387086935 /nfs/dbraw/zinc/08/69/35/387086935.db2.gz PXNJEEGXAACKKI-QWRGUYRKSA-N 0 3 240.347 0.748 20 0 BCADHN CCC[C@H](O)CNC(=O)NC[C@@H]1CCCN1C ZINC000359350494 387089209 /nfs/dbraw/zinc/08/92/09/387089209.db2.gz YRBAWCZJXGYCPY-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCNC[C@@](C)(F)C1 ZINC000334998749 387090108 /nfs/dbraw/zinc/09/01/08/387090108.db2.gz TUKWRTDLBRQLOD-BXKDBHETSA-N 0 3 243.326 0.287 20 0 BCADHN CCC(C)(C)CNC(=O)NC[C@@H]1CNCCO1 ZINC000418083372 387092193 /nfs/dbraw/zinc/09/21/93/387092193.db2.gz ZVCCDVCEIRRLHC-JTQLQIEISA-N 0 3 243.351 0.710 20 0 BCADHN CO[C@@H](C(=O)NC[C@@H](C)N(C)C)C(C)C ZINC000352343676 387092295 /nfs/dbraw/zinc/09/22/95/387092295.db2.gz RAHPDIYGSWJTSV-NXEZZACHSA-N 0 3 216.325 0.724 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@H](O)[C@@H]1C ZINC000458751666 387092641 /nfs/dbraw/zinc/09/26/41/387092641.db2.gz GMVQGCXFTJFJMW-DCAQKATOSA-N 0 3 243.351 0.491 20 0 BCADHN COCCN(C)CCCNC(=O)[C@H]1CCOC1 ZINC000066917279 387092994 /nfs/dbraw/zinc/09/29/94/387092994.db2.gz LVBOXMVHMCOGBM-NSHDSACASA-N 0 3 244.335 0.107 20 0 BCADHN Cn1nccc1CNC[C@H]1CC[C@H](O)C1 ZINC000188836483 387095471 /nfs/dbraw/zinc/09/54/71/387095471.db2.gz ZRTJTUVKPVODRN-ONGXEEELSA-N 0 3 209.293 0.671 20 0 BCADHN Cn1nncc1CN[C@@H]1CCCC[C@H]1O ZINC000129763968 387097289 /nfs/dbraw/zinc/09/72/89/387097289.db2.gz FMPVQTHWGULLIE-NXEZZACHSA-N 0 3 210.281 0.208 20 0 BCADHN COCCN1CCC(NC(C)=O)CC1 ZINC000068298182 387102617 /nfs/dbraw/zinc/10/26/17/387102617.db2.gz VQYOGZPRNQIMPV-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN COC[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)C1CC1 ZINC000188802078 387105684 /nfs/dbraw/zinc/10/56/84/387105684.db2.gz LVVGIXIZEDHDIE-IVZWLZJFSA-N 0 3 230.283 0.228 20 0 BCADHN CC(C(=O)N[C@H](C)CC1CC1)S(C)(=O)=O ZINC000112606614 387106821 /nfs/dbraw/zinc/10/68/21/387106821.db2.gz FSSLWVYUGDYBED-SFYZADRCSA-N 0 3 233.333 0.724 20 0 BCADHN CCCCNC(=O)CN(C)CCN(C)C1CC1 ZINC000186754456 387131778 /nfs/dbraw/zinc/13/17/78/387131778.db2.gz OBASHHBPKNXHGM-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN CCC[C@@]1(CO)CCCN1Cc1cnnn1C ZINC000352358647 387110122 /nfs/dbraw/zinc/11/01/22/387110122.db2.gz VXQJZBVRQDBODC-LBPRGKRZSA-N 0 3 238.335 0.942 20 0 BCADHN O=C1NCCC[C@@H]1N[C@@H]1Cc2cccc(O)c2C1 ZINC000336279323 387110873 /nfs/dbraw/zinc/11/08/73/387110873.db2.gz SOWCDJXLNAPEKT-PWSUYJOCSA-N 0 3 246.310 0.728 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H]1CCCOC1 ZINC000359596647 387131824 /nfs/dbraw/zinc/13/18/24/387131824.db2.gz SLMUKANRPCFHRT-JTQLQIEISA-N 0 3 214.309 0.433 20 0 BCADHN CN(C)C/C=C/C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000370363396 387111591 /nfs/dbraw/zinc/11/15/91/387111591.db2.gz PREBOHAJLDGRJE-ITDFMYJTSA-N 0 3 238.331 0.743 20 0 BCADHN CCCN(C)CC(=O)NCCC(=O)OC ZINC000069091852 387112205 /nfs/dbraw/zinc/11/22/05/387112205.db2.gz XVARPPGQLSZZTO-UHFFFAOYSA-N 0 3 216.281 0.008 20 0 BCADHN C[C@H](CO)N(CC(=O)N(C)C)CC1CCC1 ZINC000352365727 387113918 /nfs/dbraw/zinc/11/39/18/387113918.db2.gz WERWELRRRBGPCQ-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@H](O)CCCNC(=O)CN(C)C(C)C ZINC000352369208 387114301 /nfs/dbraw/zinc/11/43/01/387114301.db2.gz XNIYAOJMNFXTBM-NSHDSACASA-N 0 3 230.352 0.994 20 0 BCADHN CO[C@]1(C)CCCN([C@H]2CCN(C)C2=O)C1 ZINC000335024294 387114593 /nfs/dbraw/zinc/11/45/93/387114593.db2.gz FBUIRDBLRRTTDD-CMPLNLGQSA-N 0 3 226.320 0.718 20 0 BCADHN OC[C@H]1C[C@@H](O)CN1Cc1cccc(O)c1 ZINC000370394072 387114929 /nfs/dbraw/zinc/11/49/29/387114929.db2.gz DRVGBQFJEGCBNG-ZYHUDNBSSA-N 0 3 223.272 0.320 20 0 BCADHN CC1CCN(C(=O)C(=O)NC(C)(C)CN)CC1 ZINC000335024906 387115693 /nfs/dbraw/zinc/11/56/93/387115693.db2.gz PJWOPRJQJZQHHG-UHFFFAOYSA-N 0 3 241.335 0.098 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCc2nccn2C1 ZINC000370427543 387117077 /nfs/dbraw/zinc/11/70/77/387117077.db2.gz GPNAFBYBENSIQY-JTQLQIEISA-N 0 3 236.319 0.123 20 0 BCADHN CC(C)(C)[C@@H]1CCN(C(=O)C(C)(C)N)C[C@H]1O ZINC000335026309 387117875 /nfs/dbraw/zinc/11/78/75/387117875.db2.gz MFAYCYMPEVIMLI-NXEZZACHSA-N 0 3 242.363 0.979 20 0 BCADHN CC(C)(C)[C@H]1CCN(C(=O)C(C)(C)N)C[C@@H]1O ZINC000335026311 387118145 /nfs/dbraw/zinc/11/81/45/387118145.db2.gz MFAYCYMPEVIMLI-UWVGGRQHSA-N 0 3 242.363 0.979 20 0 BCADHN CN(C[C@H]1CCC[C@@H]1O)C(=O)C1(N)CCC1 ZINC000335026362 387118309 /nfs/dbraw/zinc/11/83/09/387118309.db2.gz ZLJFCGORNPYIJI-ZJUUUORDSA-N 0 3 226.320 0.487 20 0 BCADHN C[C@@H]1SCC[C@H]1NC(=O)N1CCCNCC1 ZINC000646233399 387118439 /nfs/dbraw/zinc/11/84/39/387118439.db2.gz AWHUTRXFTSVAQP-VHSXEESVSA-N 0 3 243.376 0.885 20 0 BCADHN Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)N)CO2 ZINC000119310553 387119927 /nfs/dbraw/zinc/11/99/27/387119927.db2.gz VEGGESNHTNSJAD-WCBMZHEXSA-N 0 3 220.272 0.892 20 0 BCADHN C[C@H](O)CCN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000228823741 387121138 /nfs/dbraw/zinc/12/11/38/387121138.db2.gz CUJKATIRQGKNTE-DCAQKATOSA-N 0 3 200.326 0.782 20 0 BCADHN CCOCCOCC(=O)N(C)CCN(C)C ZINC000359597099 387132161 /nfs/dbraw/zinc/13/21/61/387132161.db2.gz QNYAYLBUNOWBHA-UHFFFAOYSA-N 0 3 232.324 0.060 20 0 BCADHN Cc1ncoc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000228750234 387124685 /nfs/dbraw/zinc/12/46/85/387124685.db2.gz QKUOFGGCNPSUKU-LLVKDONJSA-N 0 3 241.291 0.025 20 0 BCADHN C[C@@H]1[C@H](C)N(C[C@H](O)C(F)(F)F)CCN1C ZINC000359568068 387125662 /nfs/dbraw/zinc/12/56/62/387125662.db2.gz BBAXLXRFFYSNHN-VGMNWLOBSA-N 0 3 240.269 0.934 20 0 BCADHN CO[C@H](CN)C(=O)N1CCCC[C@@H](C)C1 ZINC000335030893 387127707 /nfs/dbraw/zinc/12/77/07/387127707.db2.gz UFRWTGRBBSDPEP-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN COCC(=O)N(C)CCN(C)C1CC1 ZINC000186742434 387128815 /nfs/dbraw/zinc/12/88/15/387128815.db2.gz IROUSWQIVLORLX-UHFFFAOYSA-N 0 3 200.282 0.185 20 0 BCADHN CCCCN(C)CCNC(=O)CN(C)C(C)=O ZINC000352381755 387130082 /nfs/dbraw/zinc/13/00/82/387130082.db2.gz GXGXJPGGOLXMEE-UHFFFAOYSA-N 0 3 243.351 0.313 20 0 BCADHN C[C@H](O)CN(CCO)C[C@@H](O)c1ccccc1 ZINC000290007057 387142310 /nfs/dbraw/zinc/14/23/10/387142310.db2.gz ZKUSIUVHXADLGU-WCQYABFASA-N 0 3 239.315 0.395 20 0 BCADHN CC[C@H](CNC(=O)N[C@H](C)CN(C)C)OC ZINC000359657596 387142971 /nfs/dbraw/zinc/14/29/71/387142971.db2.gz HINGZVMRQMJJBL-NXEZZACHSA-N 0 3 231.340 0.661 20 0 BCADHN CO[C@H](C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000359677574 387144886 /nfs/dbraw/zinc/14/48/86/387144886.db2.gz MWRLXPXHHBDMEC-MWLCHTKSSA-N 0 3 246.376 0.575 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCCC[C@@H]1OC ZINC000353150192 387145814 /nfs/dbraw/zinc/14/58/14/387145814.db2.gz NGGPPRPPZPCRJJ-KXUCPTDWSA-N 0 3 230.308 0.034 20 0 BCADHN O=C1NC[C@H](CN2CCCO[C@H]3CCC[C@@H]32)O1 ZINC000371060834 387146632 /nfs/dbraw/zinc/14/66/32/387146632.db2.gz AJJRAVQLMASNKF-VWYCJHECSA-N 0 3 240.303 0.738 20 0 BCADHN NC(C(=O)NCc1ccccn1)C(F)(F)F ZINC000353158341 387146876 /nfs/dbraw/zinc/14/68/76/387146876.db2.gz YQXKHCTUEKDNKE-SSDOTTSWSA-N 0 3 233.193 0.587 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1cc(F)cc(F)c1 ZINC000353166759 387148235 /nfs/dbraw/zinc/14/82/35/387148235.db2.gz KKLLQRDXXBTGNI-JTQLQIEISA-N 0 3 244.241 0.555 20 0 BCADHN CCO[C@@H]1COCC[C@H]1NCc1cncn1C ZINC000353163260 387148243 /nfs/dbraw/zinc/14/82/43/387148243.db2.gz HJRYZPZADBZMCS-VXGBXAGGSA-N 0 3 239.319 0.704 20 0 BCADHN CCn1cc(CN[C@H]2C[C@@](C)(O)C2)cn1 ZINC000418124869 387149108 /nfs/dbraw/zinc/14/91/08/387149108.db2.gz ZYNZFVOTNGTYRS-PHIMTYICSA-N 0 3 209.293 0.906 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCN2C(=O)NC[C@@H]2C1 ZINC000336322181 387149324 /nfs/dbraw/zinc/14/93/24/387149324.db2.gz GFPVNQDXMCKRSU-ZJUUUORDSA-N 0 3 241.335 0.103 20 0 BCADHN COC[C@@H](Cc1ccccc1)NC(=O)C1(N)CC1 ZINC000353184237 387149433 /nfs/dbraw/zinc/14/94/33/387149433.db2.gz NRACZHDAVVLDSB-GFCCVEGCSA-N 0 3 248.326 0.852 20 0 BCADHN CC[C@H](CNC(=O)[C@@H](CC)N(C)C)OC ZINC000359701210 387150533 /nfs/dbraw/zinc/15/05/33/387150533.db2.gz SQTMFKGEQKXUMY-NXEZZACHSA-N 0 3 216.325 0.868 20 0 BCADHN 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RLYYYVNRQNYPPD-ZETCQYMHSA-N 0 3 237.303 0.830 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCCO1 ZINC000336430661 387259568 /nfs/dbraw/zinc/25/95/68/387259568.db2.gz CFJWHBHWTCWIAC-QMMMGPOBSA-N 0 3 201.270 0.283 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000353696610 387261598 /nfs/dbraw/zinc/26/15/98/387261598.db2.gz CSLQPXSAPDPMEX-OUAUKWLOSA-N 0 3 243.351 0.661 20 0 BCADHN C=Cn1cc(CNC[C@H]2CC[C@H](CO)O2)cn1 ZINC000353714382 387263064 /nfs/dbraw/zinc/26/30/64/387263064.db2.gz WTKZZJWUZJIGFV-VXGBXAGGSA-N 0 3 237.303 0.613 20 0 BCADHN C=Cn1cc(CNC[C@@H]2CC[C@@H](CO)O2)cn1 ZINC000353714381 387263564 /nfs/dbraw/zinc/26/35/64/387263564.db2.gz WTKZZJWUZJIGFV-RYUDHWBXSA-N 0 3 237.303 0.613 20 0 BCADHN CN(C)C1(CNS(=O)(=O)C2CC2)CCCC1 ZINC000360595877 387317427 /nfs/dbraw/zinc/31/74/27/387317427.db2.gz HTAQZUKFJGZSKW-UHFFFAOYSA-N 0 3 246.376 0.943 20 0 BCADHN Cc1cnn(C)c1CNCCC(=O)NC(C)C ZINC000285477191 387268076 /nfs/dbraw/zinc/26/80/76/387268076.db2.gz OIBYGGIHLFGPRP-UHFFFAOYSA-N 0 3 238.335 0.733 20 0 BCADHN C[C@@H]1C[C@H](C(=O)NC[C@H]2CCCN2C)CO1 ZINC000352506773 387268931 /nfs/dbraw/zinc/26/89/31/387268931.db2.gz IKSBTBVSVCCGHC-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](NC(=O)C1(N)CC1)[C@@H](O)Cc1ccccc1 ZINC000353764192 387269018 /nfs/dbraw/zinc/26/90/18/387269018.db2.gz DPQSVTKXBOFTPW-PWSUYJOCSA-N 0 3 248.326 0.586 20 0 BCADHN CCC[NH2+]CCNC(=O)c1ccc2n[n-]nc2c1 ZINC000423470570 387317575 /nfs/dbraw/zinc/31/75/75/387317575.db2.gz WOYPYVAOTQPOEL-UHFFFAOYSA-N 0 3 247.302 0.687 20 0 BCADHN Cc1nc(CCNC(=O)[C@@H](N)C(C)C)c(C)o1 ZINC000353772410 387271605 /nfs/dbraw/zinc/27/16/05/387271605.db2.gz YSABASNYRQAPQS-NSHDSACASA-N 0 3 239.319 0.933 20 0 BCADHN COC[C@H]1CCN1C(=O)CN(C)C(C)C ZINC000354036633 387317639 /nfs/dbraw/zinc/31/76/39/387317639.db2.gz XHPWKVVWMFZNOE-SNVBAGLBSA-N 0 3 214.309 0.574 20 0 BCADHN CN(C)CCNC(=O)CCc1cncc(F)c1 ZINC000120850981 387276056 /nfs/dbraw/zinc/27/60/56/387276056.db2.gz XUSVEWOHRMZOAU-UHFFFAOYSA-N 0 3 239.294 0.831 20 0 BCADHN COC[C@H](C)N1CCCN(C(=O)C2CC2)CC1 ZINC000189274918 387276999 /nfs/dbraw/zinc/27/69/99/387276999.db2.gz QZDKMXYSFBKNLD-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372156153 387277224 /nfs/dbraw/zinc/27/72/24/387277224.db2.gz IYHUDAXYLPTATB-IJLUTSLNSA-N 0 3 240.347 0.822 20 0 BCADHN CSCCN1CCN2CCOC[C@@H]2C1 ZINC000336448817 387277793 /nfs/dbraw/zinc/27/77/93/387277793.db2.gz YIPUNMKVHUYICG-JTQLQIEISA-N 0 3 216.350 0.366 20 0 BCADHN Cc1cnn(C)c1CNC[C@H]1CC[C@H](O)C1 ZINC000285815001 387278074 /nfs/dbraw/zinc/27/80/74/387278074.db2.gz GODUNSUABBKJRB-QWRGUYRKSA-N 0 3 223.320 0.979 20 0 BCADHN CC/C=C/CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000572227738 387280255 /nfs/dbraw/zinc/28/02/55/387280255.db2.gz VTPUVXPBJLNRRF-ZWNMCFTASA-N 0 3 240.351 0.237 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cc(C)cn(C)c1=O ZINC000514728094 387280418 /nfs/dbraw/zinc/28/04/18/387280418.db2.gz NTZZQKVNXUEFER-MRVPVSSYSA-N 0 3 223.276 0.370 20 0 BCADHN CCCCN(C)CCNC(=O)C1(C)COC1 ZINC000360440091 387283806 /nfs/dbraw/zinc/28/38/06/387283806.db2.gz AMPHACVWKIFHOS-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CO[C@H](C)C1 ZINC000401950240 387289435 /nfs/dbraw/zinc/28/94/35/387289435.db2.gz UFDSLVOLIYRUJI-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1CC(=O)N(C)C1 ZINC000290071466 387318283 /nfs/dbraw/zinc/31/82/83/387318283.db2.gz YIPVUDFYNDYQQJ-MRVPVSSYSA-N 0 3 208.265 0.038 20 0 BCADHN CN1CCC[C@H]1C(=O)NC1CCN(C)CC1 ZINC000121098395 387293571 /nfs/dbraw/zinc/29/35/71/387293571.db2.gz BZNDKDPOUFGXPI-NSHDSACASA-N 0 3 225.336 0.291 20 0 BCADHN CCOC(=O)C1(CNC(=O)C2(N)CC2)CCC1 ZINC000572273014 387295460 /nfs/dbraw/zinc/29/54/60/387295460.db2.gz JMGCZLNXDWBIAS-UHFFFAOYSA-N 0 3 240.303 0.327 20 0 BCADHN CN1CC=C(CNC(=O)C(C)(C)O)CC1 ZINC000392888132 387296700 /nfs/dbraw/zinc/29/67/00/387296700.db2.gz QZVUSGHSUUKIPD-UHFFFAOYSA-N 0 3 212.293 0.135 20 0 BCADHN Cn1ccc(CC(=O)N[C@H]2CCN(C3CC3)C2)n1 ZINC000572275371 387297952 /nfs/dbraw/zinc/29/79/52/387297952.db2.gz LJASEKBNQKCNTG-NSHDSACASA-N 0 3 248.330 0.316 20 0 BCADHN CC(C)NC(=O)NCCN1CCC[C@@H](O)[C@H]1C ZINC000572279490 387301634 /nfs/dbraw/zinc/30/16/34/387301634.db2.gz JAOHLZDQNXZGPN-GHMZBOCLSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)c1cnn(C)c1 ZINC000372460707 387304850 /nfs/dbraw/zinc/30/48/50/387304850.db2.gz TZUSRFHADJRNNC-FKTZTGRPSA-N 0 3 240.282 0.297 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](C)C(=O)OC)N(C)C ZINC000360544796 387305762 /nfs/dbraw/zinc/30/57/62/387305762.db2.gz RCNIROCEUBNUGD-BDAKNGLRSA-N 0 3 230.308 0.252 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC[C@H](O)[C@@H](C)C2)C1 ZINC000514872334 387305875 /nfs/dbraw/zinc/30/58/75/387305875.db2.gz PCSGJFGEYLIVCX-WOPDTQHZSA-N 0 3 240.347 0.558 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCCOC(C)C ZINC000459830797 387306193 /nfs/dbraw/zinc/30/61/93/387306193.db2.gz QLLKQPVBWBKTGN-VHSXEESVSA-N 0 3 203.282 0.415 20 0 BCADHN CC(C)(O)CC(=O)NCCNc1ccncc1 ZINC000352547281 387307675 /nfs/dbraw/zinc/30/76/75/387307675.db2.gz DEUDMNFAULSPCY-UHFFFAOYSA-N 0 3 237.303 0.193 20 0 BCADHN CC(C)N(C)CC(=O)N(C)CC1(O)CCC1 ZINC000354279539 387354441 /nfs/dbraw/zinc/35/44/41/387354441.db2.gz AEMQVCARGBSJHH-UHFFFAOYSA-N 0 3 228.336 0.700 20 0 BCADHN CCN1CC[C@H](N[C@H]2CSC[C@@H]2C)C1=O ZINC000648574812 387354968 /nfs/dbraw/zinc/35/49/68/387354968.db2.gz HZCLZRMVHFOAQJ-GUBZILKMSA-N 0 3 228.361 0.948 20 0 BCADHN CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CO)C1)N(C)C ZINC000360834525 387355489 /nfs/dbraw/zinc/35/54/89/387355489.db2.gz ITNKEQFOTJNAEX-GRYCIOLGSA-N 0 3 242.363 0.659 20 0 BCADHN CC(C)[C@H](C(=O)N(C)CC1(O)CCC1)N(C)C ZINC000354303138 387357527 /nfs/dbraw/zinc/35/75/27/387357527.db2.gz NCSCDXJPBAOLLD-LLVKDONJSA-N 0 3 242.363 0.946 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC000336534612 387358069 /nfs/dbraw/zinc/35/80/69/387358069.db2.gz POWQZHJWJSEUDT-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN CNCC(=O)NCCC[C@H]1CCCCO1 ZINC000515298970 387360451 /nfs/dbraw/zinc/36/04/51/387360451.db2.gz CDNKFQULPFHUCA-SNVBAGLBSA-N 0 3 214.309 0.671 20 0 BCADHN CS[C@H](C)CC(=O)N1CCN(C)C[C@H]1CN ZINC000515302184 387361137 /nfs/dbraw/zinc/36/11/37/387361137.db2.gz LRTJDKOURNKXIT-NXEZZACHSA-N 0 3 245.392 0.229 20 0 BCADHN CCn1nnc(C)c1CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000648593068 387364157 /nfs/dbraw/zinc/36/41/57/387364157.db2.gz PVBCHYVFZZWAOR-DGCLKSJQSA-N 0 3 249.362 0.742 20 0 BCADHN O=C([N-]c1nncn1-c1ccccc1)[C@H]1CC[NH2+]1 ZINC000515350938 387370885 /nfs/dbraw/zinc/37/08/85/387370885.db2.gz LNZXFACEYVYNRU-SNVBAGLBSA-N 0 3 243.270 0.568 20 0 BCADHN O=C1NCC[C@@H]1N1CCCSCC1 ZINC000336553621 387374288 /nfs/dbraw/zinc/37/42/88/387374288.db2.gz DLJWUFBJTFQSGI-QMMMGPOBSA-N 0 3 200.307 0.314 20 0 BCADHN CCN(CCNC(=O)[C@](C)(CC)CO)C1CC1 ZINC000515387899 387375725 /nfs/dbraw/zinc/37/57/25/387375725.db2.gz LPIHADDACKUOQP-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H]1CC[C@H](C)N1C(=O)C(=O)N(C)CCN ZINC000423554904 387376326 /nfs/dbraw/zinc/37/63/26/387376326.db2.gz FRBMLUONKMRRPB-VHSXEESVSA-N 0 3 241.335 0.193 20 0 BCADHN C[C@@H](NCC(C)(C)OCCO)c1cnn(C)c1 ZINC000287188684 387380899 /nfs/dbraw/zinc/38/08/99/387380899.db2.gz CZESVOJSXCCGIH-SNVBAGLBSA-N 0 3 241.335 0.858 20 0 BCADHN C[C@@H](CC(N)=O)N[C@H]1CCCc2nn(C)cc21 ZINC000373560200 387380969 /nfs/dbraw/zinc/38/09/69/387380969.db2.gz FDEPMYUTQYFCNF-WPRPVWTQSA-N 0 3 236.319 0.651 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000360981438 387381439 /nfs/dbraw/zinc/38/14/39/387381439.db2.gz LJIBHMOERIENQB-QWRGUYRKSA-N 0 3 228.336 0.820 20 0 BCADHN C[C@]1(O)CCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000336558629 387381977 /nfs/dbraw/zinc/38/19/77/387381977.db2.gz KKDNDNLKHMLILV-JQWIXIFHSA-N 0 3 224.304 0.206 20 0 BCADHN C[C@H](CN(C)C)NC(=O)CCc1ncccn1 ZINC000360610872 387322117 /nfs/dbraw/zinc/32/21/17/387322117.db2.gz KZGOWVDQNQAADO-SNVBAGLBSA-N 0 3 236.319 0.476 20 0 BCADHN CCC[C@H](C(=O)N1CC(O)(C2CC2)C1)N(C)C ZINC000372692458 387322278 /nfs/dbraw/zinc/32/22/78/387322278.db2.gz SZBDEQSTHCREDQ-LLVKDONJSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCc1ncccn1 ZINC000360610871 387322261 /nfs/dbraw/zinc/32/22/61/387322261.db2.gz KZGOWVDQNQAADO-JTQLQIEISA-N 0 3 236.319 0.476 20 0 BCADHN CC(C)(C)CN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000372737857 387325349 /nfs/dbraw/zinc/32/53/49/387325349.db2.gz JCORDYGRPFCRJT-SECBINFHSA-N 0 3 234.365 0.785 20 0 BCADHN CC[C@H](OC)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000352573191 387325748 /nfs/dbraw/zinc/32/57/48/387325748.db2.gz RGXVPJRQWJSMHW-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN CC[NH2+][C@H](C)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000423589663 387382656 /nfs/dbraw/zinc/38/26/56/387382656.db2.gz CQERRTDQGBTNKX-MRVPVSSYSA-N 0 3 247.302 0.686 20 0 BCADHN CN(C)CC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000336501060 387326380 /nfs/dbraw/zinc/32/63/80/387326380.db2.gz ISHVBRQJAVTWAA-LLVKDONJSA-N 0 3 225.336 0.101 20 0 BCADHN Cc1nnc(NC(=O)[C@@H](N)C2CCC2)n1C ZINC000515058162 387330205 /nfs/dbraw/zinc/33/02/05/387330205.db2.gz LBJRYXQZBYGYIJ-QMMMGPOBSA-N 0 3 223.280 0.189 20 0 BCADHN CON(C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000372851618 387330609 /nfs/dbraw/zinc/33/06/09/387330609.db2.gz IYBDCKAWYCRIFY-UWVGGRQHSA-N 0 3 243.307 0.052 20 0 BCADHN Cc1cnn(C)c1CN[C@H](C)CC[S@](C)=O ZINC000286592162 387331081 /nfs/dbraw/zinc/33/10/81/387331081.db2.gz QSCUOYQOQHKYII-HWPZZCPQSA-N 0 3 243.376 0.975 20 0 BCADHN CC(=O)c1ccc(C(=O)N2CC[C@@H](N(C)C)C2)[nH]1 ZINC000336509225 387333139 /nfs/dbraw/zinc/33/31/39/387333139.db2.gz OFCSEYMSVGVBTN-SNVBAGLBSA-N 0 3 249.314 0.993 20 0 BCADHN CC(=O)c1ccc(C(=O)N2CC[C@H](N(C)C)C2)[nH]1 ZINC000336509224 387333418 /nfs/dbraw/zinc/33/34/18/387333418.db2.gz OFCSEYMSVGVBTN-JTQLQIEISA-N 0 3 249.314 0.993 20 0 BCADHN CN(CCN1CCCC1)C(=O)COC(F)F ZINC000352575308 387335992 /nfs/dbraw/zinc/33/59/92/387335992.db2.gz ABKJBTSJRFFRFH-UHFFFAOYSA-N 0 3 236.262 0.780 20 0 BCADHN Cc1cnn(C)c1CNC(C)(C)[C@@H](C)O ZINC000286675828 387337320 /nfs/dbraw/zinc/33/73/20/387337320.db2.gz VIQNNISARNVRED-SECBINFHSA-N 0 3 211.309 0.978 20 0 BCADHN CC(C)(NC(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000572347648 387337990 /nfs/dbraw/zinc/33/79/90/387337990.db2.gz FBYBOGKCILWBGN-JTQLQIEISA-N 0 3 241.335 0.463 20 0 BCADHN Cn1ccc(CN2C[C@@H](O)C3(CC3)C2)c1 ZINC000336515925 387339455 /nfs/dbraw/zinc/33/94/55/387339455.db2.gz HNXBCZOCBHAAOI-LLVKDONJSA-N 0 3 206.289 0.982 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000373039583 387342890 /nfs/dbraw/zinc/34/28/90/387342890.db2.gz IFLHGQLYRKPETI-MRCXROJRSA-N 0 3 246.310 0.943 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000352580916 387342857 /nfs/dbraw/zinc/34/28/57/387342857.db2.gz PGCOGTJTYOYIFJ-MXWKQRLJSA-N 0 3 226.320 0.574 20 0 BCADHN CC[C@@H](CNC(=O)N(C)CCN(C)C)OC ZINC000360744519 387344079 /nfs/dbraw/zinc/34/40/79/387344079.db2.gz JHMONVPMRKCZAK-JTQLQIEISA-N 0 3 231.340 0.614 20 0 BCADHN COC[C@H](C)C(=O)N1CCN(C)CC[C@H]1C ZINC000336520104 387346985 /nfs/dbraw/zinc/34/69/85/387346985.db2.gz PVAGQJKRAKAADO-WDEREUQCSA-N 0 3 228.336 0.822 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H](CO)[C@H]1CCOC1 ZINC000360771652 387350993 /nfs/dbraw/zinc/35/09/93/387350993.db2.gz IURHZAXIUCAGHX-JQWIXIFHSA-N 0 3 239.319 0.453 20 0 BCADHN C[C@@H](NC[C@H]1CNCCN1C)c1cccc(O)c1 ZINC000423522716 387352727 /nfs/dbraw/zinc/35/27/27/387352727.db2.gz RMJNZVCQPQGISF-DGCLKSJQSA-N 0 3 249.358 0.946 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000423782704 387425044 /nfs/dbraw/zinc/42/50/44/387425044.db2.gz ZWRQMBKIDACNDZ-NEPJUHHUSA-N 0 3 241.379 0.912 20 0 BCADHN CN(C(=O)[C@H]1C[C@H](F)CN1)[C@H]1CC1(C)C ZINC000423779774 387425307 /nfs/dbraw/zinc/42/53/07/387425307.db2.gz VEAZJXYHTIHREN-YIZRAAEISA-N 0 3 214.284 0.943 20 0 BCADHN CC[C@@H]1CN(C(=O)CN)CCN1CC(F)F ZINC000423787283 387426815 /nfs/dbraw/zinc/42/68/15/387426815.db2.gz CARCCTDMWKXQBD-MRVPVSSYSA-N 0 3 235.278 0.133 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)[C@H](C)C(=O)OC ZINC000423791756 387427951 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ZCIZFHGEQCONPR-VHSXEESVSA-N 0 3 244.335 0.962 20 0 BCADHN CC(C)[C@@H](NC(=O)[C@@H]1C[C@@H]1N)c1ncc[nH]1 ZINC000515840325 387433744 /nfs/dbraw/zinc/43/37/44/387433744.db2.gz LNWSWNPMQUYNLQ-HRDYMLBCSA-N 0 3 222.292 0.570 20 0 BCADHN CN(CCNC(=O)NC[C@H]1CCOC1)C1CC1 ZINC000352678820 387434069 /nfs/dbraw/zinc/43/40/69/387434069.db2.gz QTCHTLZHVYNQOG-SNVBAGLBSA-N 0 3 241.335 0.416 20 0 BCADHN CC[C@H](N)C(=O)N(C)[C@H](C)C(=O)NC(C)(C)C ZINC000423845956 387434181 /nfs/dbraw/zinc/43/41/81/387434181.db2.gz KVTOKLMUWOOBRU-BDAKNGLRSA-N 0 3 243.351 0.485 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000354817147 387434600 /nfs/dbraw/zinc/43/46/00/387434600.db2.gz RFSZIHDZCCQSIX-GMTAPVOTSA-N 0 3 243.351 0.803 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@](CC)(C(N)=O)C(C)C ZINC000423849357 387434764 /nfs/dbraw/zinc/43/47/64/387434764.db2.gz SLEVQQMVOANGMR-JOYOIKCWSA-N 0 3 243.351 0.520 20 0 BCADHN CCC[C@H](N)C(=O)N[C@](CC)(C(N)=O)C(C)C ZINC000423849353 387434844 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0.707 20 0 BCADHN Cc1ccc(NC(=O)COC2CNC2)cn1 ZINC000423732830 387405350 /nfs/dbraw/zinc/40/53/50/387405350.db2.gz TWORXWKSKHWSHG-UHFFFAOYSA-N 0 3 221.260 0.317 20 0 BCADHN COC(=O)[C@@H](C)CN(C(=O)[C@H](C)N)C1CC1 ZINC000423746323 387407079 /nfs/dbraw/zinc/40/70/79/387407079.db2.gz QUPSBNHERRCVTD-YUMQZZPRSA-N 0 3 228.292 0.134 20 0 BCADHN COC(=O)C(C)(C)CCN[C@]1(CO)CCOC1 ZINC000354645235 387409038 /nfs/dbraw/zinc/40/90/38/387409038.db2.gz IMPZRTIFEFQDSV-LBPRGKRZSA-N 0 3 245.319 0.317 20 0 BCADHN C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000423760666 387413688 /nfs/dbraw/zinc/41/36/88/387413688.db2.gz QPIQBRKZDIDMGA-NXEZZACHSA-N 0 3 249.314 0.792 20 0 BCADHN Cc1cnccc1CNC(=O)C(N)C(F)(F)F ZINC000423761145 387413726 /nfs/dbraw/zinc/41/37/26/387413726.db2.gz RCHOQJBJPLOGTR-QMMMGPOBSA-N 0 3 247.220 0.896 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)C1(N)CCC1 ZINC000423760307 387414864 /nfs/dbraw/zinc/41/48/64/387414864.db2.gz JOKICEIWCZQYPP-DTWKUNHWSA-N 0 3 242.319 0.572 20 0 BCADHN CCN(CC)C(=O)CN1CCCC[C@H](CO)C1 ZINC000374043094 387415234 /nfs/dbraw/zinc/41/52/34/387415234.db2.gz NGTCSIUHWXOGET-LBPRGKRZSA-N 0 3 242.363 0.949 20 0 BCADHN CC1(C)CN(CCOCCO)CCS1 ZINC000083418303 387416006 /nfs/dbraw/zinc/41/60/06/387416006.db2.gz QLALMCSGJUFNDP-UHFFFAOYSA-N 0 3 219.350 0.823 20 0 BCADHN COC(=O)[C@@H](C)CC(=O)N(C)CCN(C)C ZINC000354697741 387416541 /nfs/dbraw/zinc/41/65/41/387416541.db2.gz BMXCUVCLZACDOR-VIFPVBQESA-N 0 3 230.308 0.206 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)C(C)(C)N ZINC000423761920 387416491 /nfs/dbraw/zinc/41/64/91/387416491.db2.gz NEKAMUCBQYYWPG-HTQZYQBOSA-N 0 3 230.308 0.428 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)[C@@H](N)CC ZINC000423762699 387416524 /nfs/dbraw/zinc/41/65/24/387416524.db2.gz OMPKWIBFHYIMOF-YIZRAAEISA-N 0 3 230.308 0.428 20 0 BCADHN C[NH2+]CCCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000423762747 387416982 /nfs/dbraw/zinc/41/69/82/387416982.db2.gz UUCLCUXQGPEKRX-UHFFFAOYSA-N 0 3 240.263 0.134 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)NC)C(C)C ZINC000423763180 387417014 /nfs/dbraw/zinc/41/70/14/387417014.db2.gz PHAXAQJXFURBNV-GUBZILKMSA-N 0 3 243.351 0.247 20 0 BCADHN CCOCCNC(=O)NCCN(C)C1CC1 ZINC000352655718 387419485 /nfs/dbraw/zinc/41/94/85/387419485.db2.gz JTGIRJPJMXRMNL-UHFFFAOYSA-N 0 3 229.324 0.416 20 0 BCADHN CC(C)(C)CN(CCCO)CC(N)=O ZINC000303986028 387419951 /nfs/dbraw/zinc/41/99/51/387419951.db2.gz IMZVVNSETDHURG-UHFFFAOYSA-N 0 3 202.298 0.202 20 0 BCADHN O=C(COC1CNC1)NCC[C@H]1CCCCO1 ZINC000423770948 387420715 /nfs/dbraw/zinc/42/07/15/387420715.db2.gz FAYUDLORZLMXSP-SNVBAGLBSA-N 0 3 242.319 0.050 20 0 BCADHN CCc1ccnc(CNC(=O)COC2CNC2)c1 ZINC000423776498 387421867 /nfs/dbraw/zinc/42/18/67/387421867.db2.gz NQUGTJGJPDLPCI-UHFFFAOYSA-N 0 3 249.314 0.249 20 0 BCADHN CC(=O)N1CC(N[C@@H]2CCSC2)C1 ZINC000516313614 387493801 /nfs/dbraw/zinc/49/38/01/387493801.db2.gz SSRFSXHUNYEEQV-MRVPVSSYSA-N 0 3 200.307 0.312 20 0 BCADHN CO[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1N ZINC000424094491 387495761 /nfs/dbraw/zinc/49/57/61/387495761.db2.gz UOGNWUABZMVMGQ-XFWSIPNHSA-N 0 3 212.293 0.407 20 0 BCADHN NC(=O)c1ccc(CNCC2(O)CCC2)cn1 ZINC000516277334 387495983 /nfs/dbraw/zinc/49/59/83/387495983.db2.gz ZAFDMHNLWONUPS-UHFFFAOYSA-N 0 3 235.287 0.185 20 0 BCADHN C[C@@H](C(=O)N1CCCCC1)N1CC[C@](C)(O)C1 ZINC000300011581 387497448 /nfs/dbraw/zinc/49/74/48/387497448.db2.gz QFGZRNGYDMTDIC-AAEUAGOBSA-N 0 3 240.347 0.844 20 0 BCADHN CCN(CCOCCOC)[C@@H]1CCOC1 ZINC000361574857 387499345 /nfs/dbraw/zinc/49/93/45/387499345.db2.gz AHVYHBKJRNOBCZ-LLVKDONJSA-N 0 3 217.309 0.760 20 0 BCADHN COC(=O)CCN(CCO)[C@H]1CCO[C@H]1C ZINC000361580208 387500708 /nfs/dbraw/zinc/50/07/08/387500708.db2.gz WCGRNPBHBDJPHD-UWVGGRQHSA-N 0 3 231.292 0.021 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)N[C@@H](C)CN(C)C)C1 ZINC000355242803 387503674 /nfs/dbraw/zinc/50/36/74/387503674.db2.gz RMBRODXMTWIZSA-HBNTYKKESA-N 0 3 243.351 0.803 20 0 BCADHN CCN(C[C@H](O)CSC)[C@H]1CCOC1 ZINC000361591503 387503831 /nfs/dbraw/zinc/50/38/31/387503831.db2.gz NRBYPAQSJOEJJG-UWVGGRQHSA-N 0 3 219.350 0.821 20 0 BCADHN C[C@H](CNC(=O)c1ccn[nH]1)N1CCCC1 ZINC000516390415 387504277 /nfs/dbraw/zinc/50/42/77/387504277.db2.gz PBVJJMYPLGYSDP-SECBINFHSA-N 0 3 222.292 0.624 20 0 BCADHN Cc1nc(CN2CC[C@H]3CCN(C)[C@H]3C2)no1 ZINC000375027875 387505283 /nfs/dbraw/zinc/50/52/83/387505283.db2.gz BAOAABISOKVTNB-MNOVXSKESA-N 0 3 236.319 0.904 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1nnc(C(F)F)s1 ZINC000424097114 387505908 /nfs/dbraw/zinc/50/59/08/387505908.db2.gz DTOPVHYEDAMKHJ-STHAYSLISA-N 0 3 234.231 0.761 20 0 BCADHN CSC[C@H](O)CN(CCO)[C@@H]1CCO[C@H]1C ZINC000361588405 387506065 /nfs/dbraw/zinc/50/60/65/387506065.db2.gz YIOOMKYAXXRWBV-HBNTYKKESA-N 0 3 249.376 0.182 20 0 BCADHN O=C1[C@H](N2CCC[C@@H](CO)C2)CCN1C1CC1 ZINC000304716649 387506839 /nfs/dbraw/zinc/50/68/39/387506839.db2.gz NGVOLGSMCIZAHF-ZYHUDNBSSA-N 0 3 238.331 0.454 20 0 BCADHN CN(CC[C@@H]1CCCCO1)[C@H]1COC[C@H]1O ZINC000352816077 387508684 /nfs/dbraw/zinc/50/86/84/387508684.db2.gz OGIVQFGIZCNHPC-SDDRHHMPSA-N 0 3 229.320 0.637 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](C)C[C@H](CO)C1 ZINC000421960930 387509115 /nfs/dbraw/zinc/50/91/15/387509115.db2.gz GMNPUCRWXDFWSR-RYUDHWBXSA-N 0 3 242.363 0.805 20 0 BCADHN C[C@H](O)CCCN1CCCC[C@@]1(C)C(N)=O ZINC000355274964 387509525 /nfs/dbraw/zinc/50/95/25/387509525.db2.gz KJCYXMYYQRNWLJ-JQWIXIFHSA-N 0 3 228.336 0.877 20 0 BCADHN CCN(CC)CC(=O)NCC1(C(=O)OC)CC1 ZINC000188698193 387510830 /nfs/dbraw/zinc/51/08/30/387510830.db2.gz CSRROBVAROVSQD-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN C[C@H](O)CCCN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000355300340 387515513 /nfs/dbraw/zinc/51/55/13/387515513.db2.gz ZQZFHYOZFRVTJA-VWYCJHECSA-N 0 3 228.336 0.733 20 0 BCADHN Cc1nnc(N2CC[C@@H]3CCN(C)[C@@H]3C2)o1 ZINC000375232200 387515726 /nfs/dbraw/zinc/51/57/26/387515726.db2.gz CWIWCNJCZBDCDT-VHSXEESVSA-N 0 3 222.292 0.908 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H]2CCN(C)C[C@H]21 ZINC000375226399 387517061 /nfs/dbraw/zinc/51/70/61/387517061.db2.gz BEVUPDTZIVBVEP-VXGBXAGGSA-N 0 3 239.363 0.491 20 0 BCADHN CCC[C@@H](O)CNC(=O)CN(CC)CC ZINC000305063656 387543692 /nfs/dbraw/zinc/54/36/92/387543692.db2.gz MAYKXIJKYFFJCR-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H](C)C[C@H](CO)C1 ZINC000421991392 387518055 /nfs/dbraw/zinc/51/80/55/387518055.db2.gz WHQVHJUVKFLQDK-RYUDHWBXSA-N 0 3 242.363 0.804 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCC[C@@H]1C(N)=O ZINC000421995367 387520147 /nfs/dbraw/zinc/52/01/47/387520147.db2.gz DONGOLLYZGOEPW-VHSXEESVSA-N 0 3 241.335 0.098 20 0 BCADHN Cn1c2ccc(CNCCO)cc2sc1=O ZINC000192673108 387520791 /nfs/dbraw/zinc/52/07/91/387520791.db2.gz YUFYVLYOZOSVAZ-UHFFFAOYSA-N 0 3 238.312 0.682 20 0 BCADHN O=C(CN1CC[C@@]2(C1)CCCOC2)N1CCC1 ZINC000375278134 387521437 /nfs/dbraw/zinc/52/14/37/387521437.db2.gz BCCWKQIDTNMCQP-CYBMUJFWSA-N 0 3 238.331 0.721 20 0 BCADHN O=C1C[C@@H]([C@@H]2CCCCN2Cc2c[nH]cn2)CN1 ZINC000355352325 387523088 /nfs/dbraw/zinc/52/30/88/387523088.db2.gz HCSGRROUACLEFX-PWSUYJOCSA-N 0 3 248.330 0.900 20 0 BCADHN O=C1C[C@@H]([C@@H]2CCCCN2Cc2cnc[nH]2)CN1 ZINC000355352325 387523090 /nfs/dbraw/zinc/52/30/90/387523090.db2.gz HCSGRROUACLEFX-PWSUYJOCSA-N 0 3 248.330 0.900 20 0 BCADHN O=C(CCN1CCC(O)CC1)Nc1cccnc1 ZINC000361689258 387523351 /nfs/dbraw/zinc/52/33/51/387523351.db2.gz IPPWUDGLKNZKPC-UHFFFAOYSA-N 0 3 249.314 0.867 20 0 BCADHN O=C1OCC[C@H]1CCN1C[C@H](O)C2(CC2)C1 ZINC000375309265 387525506 /nfs/dbraw/zinc/52/55/06/387525506.db2.gz MVIZLKKPEGBRHT-ZJUUUORDSA-N 0 3 225.288 0.396 20 0 BCADHN O=C(CCN1CC[C@@H](O)C1)Nc1cccnc1 ZINC000361714109 387525774 /nfs/dbraw/zinc/52/57/74/387525774.db2.gz NBSWHCCVSLQHJN-LLVKDONJSA-N 0 3 235.287 0.477 20 0 BCADHN C[C@H](O)CN(CCO)CCOCC(F)(F)F ZINC000192719805 387526245 /nfs/dbraw/zinc/52/62/45/387526245.db2.gz NJIMRMWUZRCANI-QMMMGPOBSA-N 0 3 245.241 0.240 20 0 BCADHN C[C@H]1[C@@H](NC(=O)N[C@@H]2CC[C@H]2O)CCCN1C ZINC000425725414 387526175 /nfs/dbraw/zinc/52/61/75/387526175.db2.gz LYYQDXJMJRUHJM-UKKRHICBSA-N 0 3 241.335 0.292 20 0 BCADHN CC(C)n1cncc1CN1CC[C@H](C(N)=O)C1 ZINC000425325911 387526313 /nfs/dbraw/zinc/52/63/13/387526313.db2.gz OWTYVOABCVFJOA-JTQLQIEISA-N 0 3 236.319 0.771 20 0 BCADHN c1ncn([C@H]2CCN(C[C@@H]3CCCO3)C2)n1 ZINC000375320921 387527815 /nfs/dbraw/zinc/52/78/15/387527815.db2.gz UPTIRCBMEZVZRK-QWRGUYRKSA-N 0 3 222.292 0.704 20 0 BCADHN CCOCCN1CC[C@H](n2cncn2)C1 ZINC000375332910 387528949 /nfs/dbraw/zinc/52/89/49/387528949.db2.gz QPGRQEYEUCWJHR-JTQLQIEISA-N 0 3 210.281 0.561 20 0 BCADHN c1ncn(CCN2CCC[C@]23CCOC3)n1 ZINC000375329035 387529073 /nfs/dbraw/zinc/52/90/73/387529073.db2.gz XMOFTMHITZDSHP-LLVKDONJSA-N 0 3 222.292 0.533 20 0 BCADHN COC(=O)CCCN1CC[C@H](n2cncn2)C1 ZINC000375332234 387529832 /nfs/dbraw/zinc/52/98/32/387529832.db2.gz KXBCAHLUAOSBRB-JTQLQIEISA-N 0 3 238.291 0.478 20 0 BCADHN C[C@@H]1C[C@H]1CC(=O)NC[C@](C)(O)CN(C)C ZINC000355388896 387530502 /nfs/dbraw/zinc/53/05/02/387530502.db2.gz USBPMUHEGBYABX-SCVCMEIPSA-N 0 3 228.336 0.461 20 0 BCADHN CO[C@H](C)CN1CC[C@H](n2cncn2)C1 ZINC000375327342 387530551 /nfs/dbraw/zinc/53/05/51/387530551.db2.gz ILHRJBSLPRTGCL-ZJUUUORDSA-N 0 3 210.281 0.560 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC(C)(O)CC1 ZINC000192742809 387530711 /nfs/dbraw/zinc/53/07/11/387530711.db2.gz SZTVFEOUDUICJM-GFCCVEGCSA-N 0 3 242.363 0.554 20 0 BCADHN O=C(Nc1nccs1)[C@]1(F)CCNC1 ZINC000307738893 387531667 /nfs/dbraw/zinc/53/16/67/387531667.db2.gz XQNIFAODXQMSPQ-QMMMGPOBSA-N 0 3 215.253 0.783 20 0 BCADHN CN1C(=O)C[C@H](N2CCCC(C)(C)C2)C1=O ZINC000527209958 387535061 /nfs/dbraw/zinc/53/50/61/387535061.db2.gz DNAZOKQCSDRPNP-VIFPVBQESA-N 0 3 224.304 0.866 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCSC2)C[C@@H](CO)O1 ZINC000425990601 387537431 /nfs/dbraw/zinc/53/74/31/387537431.db2.gz NLSWFTCLKBLMIE-MXWKQRLJSA-N 0 3 231.361 0.821 20 0 BCADHN CCc1ccc(NC(=O)C(=O)NCCN)cc1C ZINC000310616750 387538958 /nfs/dbraw/zinc/53/89/58/387538958.db2.gz IHBMOZXFZDSUKP-UHFFFAOYSA-N 0 3 249.314 0.571 20 0 BCADHN CCN(CC)CC(=O)N(C)C[C@H]1CCCN1C ZINC000422020202 387539204 /nfs/dbraw/zinc/53/92/04/387539204.db2.gz LIJHXAJGACQTHU-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000355007466 387463771 /nfs/dbraw/zinc/46/37/71/387463771.db2.gz FMMXNOWXMSARAW-LLVKDONJSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)COCCC(=O)NC[C@H]1CNCCO1 ZINC000423998572 387464964 /nfs/dbraw/zinc/46/49/64/387464964.db2.gz ZUKIMOHVKZNTQU-LLVKDONJSA-N 0 3 244.335 0.154 20 0 BCADHN CC(C)COCCC(=O)NC[C@@H]1CNCCO1 ZINC000423998574 387464985 /nfs/dbraw/zinc/46/49/85/387464985.db2.gz ZUKIMOHVKZNTQU-NSHDSACASA-N 0 3 244.335 0.154 20 0 BCADHN CCCC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000122082971 387465418 /nfs/dbraw/zinc/46/54/18/387465418.db2.gz YQMOUHMOCBQYSG-GFCCVEGCSA-N 0 3 241.379 0.786 20 0 BCADHN COc1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1N ZINC000424060251 387466721 /nfs/dbraw/zinc/46/67/21/387466721.db2.gz PUHHWSLUMBKNSW-SFYZADRCSA-N 0 3 221.260 0.563 20 0 BCADHN C[C@H]1NCCN(C(=O)Cc2cncnc2)[C@H]1C ZINC000516183378 387470427 /nfs/dbraw/zinc/47/04/27/387470427.db2.gz RVUJGBBJSDFSME-ZJUUUORDSA-N 0 3 234.303 0.228 20 0 BCADHN CCN(CCC(=O)OC)C(=O)[C@H]1CCCN1C ZINC000114073902 387470908 /nfs/dbraw/zinc/47/09/08/387470908.db2.gz UKJUBTQUSYTRGK-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN CC(C)Cn1nccc1NC(=O)[C@@H]1C[C@@H]1N ZINC000424059482 387472329 /nfs/dbraw/zinc/47/23/29/387472329.db2.gz BSGALKXRDKKKDN-BDAKNGLRSA-N 0 3 222.292 0.825 20 0 BCADHN CC[C@@H](C)CNC(=O)CNC[C@H]1CCCO1 ZINC000424056383 387472570 /nfs/dbraw/zinc/47/25/70/387472570.db2.gz KJGCGHXSUMRYBC-GHMZBOCLSA-N 0 3 228.336 0.917 20 0 BCADHN CCN(CCC1CC1)[C@H](C)C(=O)NC(=O)NC ZINC000355071313 387473934 /nfs/dbraw/zinc/47/39/34/387473934.db2.gz VPDZWTDJZZWDAZ-SECBINFHSA-N 0 3 241.335 0.953 20 0 BCADHN C[C@H]1CSC[C@H]1NCC(=O)N1CCOCC1 ZINC000304413486 387476109 /nfs/dbraw/zinc/47/61/09/387476109.db2.gz IUMWBSOLVJAXIT-VHSXEESVSA-N 0 3 244.360 0.186 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)C1CCN(C)CC1 ZINC000355080351 387476633 /nfs/dbraw/zinc/47/66/33/387476633.db2.gz FCLLWUPECXKPRN-CMPLNLGQSA-N 0 3 242.363 0.851 20 0 BCADHN CO[C@@H]1[C@H](C)[C@@H](NC(=O)[C@@H](C)N)C12CCC2 ZINC000367380601 387477253 /nfs/dbraw/zinc/47/72/53/387477253.db2.gz AVHBGSRFRDBFCL-ZYUZMQFOSA-N 0 3 226.320 0.653 20 0 BCADHN CO[C@@H]1[C@@H](C)[C@H](NC(=O)[C@@H](C)N)C12CCC2 ZINC000367380599 387477850 /nfs/dbraw/zinc/47/78/50/387477850.db2.gz AVHBGSRFRDBFCL-QCLAVDOMSA-N 0 3 226.320 0.653 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCC[C@H]1CCOC1 ZINC000355104653 387479832 /nfs/dbraw/zinc/47/98/32/387479832.db2.gz RQFFMLVIETYBKP-QWRGUYRKSA-N 0 3 243.351 0.662 20 0 BCADHN CCN(CC(=O)NC(N)=O)CC(C)(C)C ZINC000361529874 387481887 /nfs/dbraw/zinc/48/18/87/387481887.db2.gz WSEOFNKDTOANGT-UHFFFAOYSA-N 0 3 215.297 0.549 20 0 BCADHN C[C@H]1[C@H](C)N(Cc2nccn2C)CCN1C ZINC000336630655 387483090 /nfs/dbraw/zinc/48/30/90/387483090.db2.gz GMTNIQWKQUVRIH-QWRGUYRKSA-N 0 3 222.336 0.945 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H](CO)Cc1ccccc1 ZINC000424081476 387483148 /nfs/dbraw/zinc/48/31/48/387483148.db2.gz AFACCYDAULIMQO-RWMBFGLXSA-N 0 3 248.326 0.301 20 0 BCADHN CN(CCN1CCCCC1)[C@H]1COC[C@H]1O ZINC000352794249 387486310 /nfs/dbraw/zinc/48/63/10/387486310.db2.gz QWPKFUILJNJMRI-NWDGAFQWSA-N 0 3 228.336 0.164 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)CN(C)C(C)C ZINC000305053705 387542490 /nfs/dbraw/zinc/54/24/90/387542490.db2.gz IJPDJJNAGVSXSL-GHMZBOCLSA-N 0 3 230.352 0.850 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCCC(C)(C)O ZINC000355167066 387489769 /nfs/dbraw/zinc/48/97/69/387489769.db2.gz QVOWDYUURPIRDM-SECBINFHSA-N 0 3 231.340 0.397 20 0 BCADHN C[C@@H](CO)[C@H](C)NC(=O)NCCN(C)C1CC1 ZINC000355165584 387491808 /nfs/dbraw/zinc/49/18/08/387491808.db2.gz OWBKZPSICCCYGZ-UWVGGRQHSA-N 0 3 243.351 0.397 20 0 BCADHN CN(CCc1cccnc1)[C@@H]1COC[C@@H]1O ZINC000352801596 387491958 /nfs/dbraw/zinc/49/19/58/387491958.db2.gz SPONWOQRSKYHFR-NEPJUHHUSA-N 0 3 222.288 0.316 20 0 BCADHN CC(C)[C@@H](O)CNC(=O)NCCN(C)C1CC1 ZINC000355171506 387492326 /nfs/dbraw/zinc/49/23/26/387492326.db2.gz APKVIDYVIDRWFF-NSHDSACASA-N 0 3 243.351 0.397 20 0 BCADHN CC[C@H](O)CN(C)[C@H]1CCC(=O)N(C)C1 ZINC000516310026 387493278 /nfs/dbraw/zinc/49/32/78/387493278.db2.gz DETIHVPWKPHBEI-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000336705651 387580804 /nfs/dbraw/zinc/58/08/04/387580804.db2.gz DIVVKOWSAGHMFC-NNYUYHANSA-N 0 3 238.331 0.907 20 0 BCADHN CNS(=O)(=O)CCCN1CCC2(CCC2)C1 ZINC000123510808 387583486 /nfs/dbraw/zinc/58/34/86/387583486.db2.gz LQSOGMHNMADTEU-UHFFFAOYSA-N 0 3 246.376 0.802 20 0 BCADHN COc1cccc(C(=O)N[C@@H]2CC[NH2+]C2)c1[O-] ZINC000036286778 387583622 /nfs/dbraw/zinc/58/36/22/387583622.db2.gz VGBMFDHNUVAMAQ-MRVPVSSYSA-N 0 3 236.271 0.493 20 0 BCADHN c1ncn(CCN2CC[C@@H]3OCCC[C@@H]3C2)n1 ZINC000362200584 387584282 /nfs/dbraw/zinc/58/42/82/387584282.db2.gz SOKXUSGIKNBRSR-NEPJUHHUSA-N 0 3 236.319 0.779 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@@H](C)OC ZINC000054915379 387585003 /nfs/dbraw/zinc/58/50/03/387585003.db2.gz LZBPOJPTQWGZBX-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H](O)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000123573928 387585616 /nfs/dbraw/zinc/58/56/16/387585616.db2.gz GFZDDYFBIMPSJC-AXFHLTTASA-N 0 3 200.326 0.782 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1CCCN1C1CC1 ZINC000426686566 387585922 /nfs/dbraw/zinc/58/59/22/387585922.db2.gz GAOZNKKHGVPZTD-LBPRGKRZSA-N 0 3 239.363 0.633 20 0 BCADHN COC(=O)[C@H]1CCN(CC2(F)CC2)C1 ZINC000527509831 387587323 /nfs/dbraw/zinc/58/73/23/387587323.db2.gz QELJOKGVJOTOER-QMMMGPOBSA-N 0 3 201.241 0.983 20 0 BCADHN CC[C@H]1C[C@@H](NC(=O)NCCN(C)C)CCO1 ZINC000422232779 387589239 /nfs/dbraw/zinc/58/92/39/387589239.db2.gz FUQRHJKXZBHKEF-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124681579 387628411 /nfs/dbraw/zinc/62/84/11/387628411.db2.gz URQMIPXMHGYHDF-KXNHARMFSA-N 0 3 240.347 0.876 20 0 BCADHN COC(=O)C[C@]1(NCCC(C)(C)O)CCOC1 ZINC000362270276 387590330 /nfs/dbraw/zinc/59/03/30/387590330.db2.gz NMKCYQWPESGNPZ-GFCCVEGCSA-N 0 3 245.319 0.459 20 0 BCADHN COC(=O)C[C@]1(NCCOC(C)C)CCOC1 ZINC000362268762 387590775 /nfs/dbraw/zinc/59/07/75/387590775.db2.gz FNRYXHZINANSTF-GFCCVEGCSA-N 0 3 245.319 0.723 20 0 BCADHN c1nc(CN2CCC3(CC2)OCCO3)n[nH]1 ZINC000575540789 387590793 /nfs/dbraw/zinc/59/07/93/387590793.db2.gz WJWMGUHQQFPJJE-UHFFFAOYSA-N 0 3 224.264 0.144 20 0 BCADHN c1nnc(CN2CCC3(CC2)OCCO3)[nH]1 ZINC000575540789 387590796 /nfs/dbraw/zinc/59/07/96/387590796.db2.gz WJWMGUHQQFPJJE-UHFFFAOYSA-N 0 3 224.264 0.144 20 0 BCADHN CN(C)C(=O)[C@H]1CC[C@H](CNCC2(F)CC2)O1 ZINC000527524056 387593716 /nfs/dbraw/zinc/59/37/16/387593716.db2.gz UVRDVAPHHZSXFI-NXEZZACHSA-N 0 3 244.310 0.714 20 0 BCADHN CO[C@@H](C)[C@@H](C)NCc1cnc(N(C)C)n1C ZINC000362297723 387594861 /nfs/dbraw/zinc/59/48/61/387594861.db2.gz DCDZISCWTNFNFS-ZJUUUORDSA-N 0 3 240.351 0.999 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000355922483 387595384 /nfs/dbraw/zinc/59/53/84/387595384.db2.gz IEVYNRUDEVOVFH-SRVKXCTJSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](O)C[C@@H]1C ZINC000355959224 387597900 /nfs/dbraw/zinc/59/79/00/387597900.db2.gz FDKJAYWOXJXIGY-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN CN(C(=O)CCCC(N)=O)[C@@H]1CCCN(C)C1 ZINC000362373258 387603683 /nfs/dbraw/zinc/60/36/83/387603683.db2.gz IIGNMWCRNGBRHS-SNVBAGLBSA-N 0 3 241.335 0.195 20 0 BCADHN COC(=O)C1(C)CN(CC(C)(C)O)C1 ZINC000424127462 387603858 /nfs/dbraw/zinc/60/38/58/387603858.db2.gz DFKPYSTWVSRJGI-UHFFFAOYSA-N 0 3 201.266 0.252 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000376077677 387605626 /nfs/dbraw/zinc/60/56/26/387605626.db2.gz SGOMCUIMVWXQRY-SDDRHHMPSA-N 0 3 240.347 0.556 20 0 BCADHN CN1C(=O)N[C@@]2(CCN(CC(C)(C)C)C2)C1=O ZINC000362390195 387605928 /nfs/dbraw/zinc/60/59/28/387605928.db2.gz SKGWJXLDGFUNRG-GFCCVEGCSA-N 0 3 239.319 0.659 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCO[C@H]1C ZINC000356021925 387606503 /nfs/dbraw/zinc/60/65/03/387606503.db2.gz OIRONENOIYLUAV-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN CS(=O)(=O)NCCN1CCC2(CCC2)C1 ZINC000122842204 387607476 /nfs/dbraw/zinc/60/74/76/387607476.db2.gz YWHWFNJEBVANDP-UHFFFAOYSA-N 0 3 232.349 0.412 20 0 BCADHN C[C@@H](CCN1CCOCC1)NCc1cc[nH]n1 ZINC000124237464 387609722 /nfs/dbraw/zinc/60/97/22/387609722.db2.gz GBAWIIPPAJTYFU-NSHDSACASA-N 0 3 238.335 0.610 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N1C[C@@H](C)[C@H](C)C1 ZINC000362434426 387611962 /nfs/dbraw/zinc/61/19/62/387611962.db2.gz MKPFTGCDIFNPCU-BBBLOLIVSA-N 0 3 242.319 0.252 20 0 BCADHN CNS(=O)(=O)[C@H]1CCN(C2CCC2)C1 ZINC000376160559 387612792 /nfs/dbraw/zinc/61/27/92/387612792.db2.gz DAVGVUSPOYMDEN-VIFPVBQESA-N 0 3 218.322 0.162 20 0 BCADHN CO[C@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000430388692 387614333 /nfs/dbraw/zinc/61/43/33/387614333.db2.gz UOHWSFONLPQMIY-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN CNCC(=O)N1CCC(OCCCOC)CC1 ZINC000430383504 387614492 /nfs/dbraw/zinc/61/44/92/387614492.db2.gz IEAZSPKAHADRSW-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN CCSCC[C@@H](C)NC(=O)COC1CNC1 ZINC000430388043 387615355 /nfs/dbraw/zinc/61/53/55/387615355.db2.gz XEVREURHNSMWJL-SECBINFHSA-N 0 3 246.376 0.623 20 0 BCADHN CC1CC(NC(=O)CNC[C@H]2CCCO2)C1 ZINC000430408980 387615367 /nfs/dbraw/zinc/61/53/67/387615367.db2.gz MFRQQSOYRNWMOM-VQXHTEKXSA-N 0 3 226.320 0.670 20 0 BCADHN COC[C@H](C)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000362475641 387616487 /nfs/dbraw/zinc/61/64/87/387616487.db2.gz ZKTWOIGKEYUHFS-SDDRHHMPSA-N 0 3 240.347 0.822 20 0 BCADHN CN(C)CCN(C)C(=O)N[C@@H]1CCCOC1 ZINC000356091245 387616855 /nfs/dbraw/zinc/61/68/55/387616855.db2.gz MWQWWXDYWUYLHY-SNVBAGLBSA-N 0 3 229.324 0.368 20 0 BCADHN COC[C@H](C)C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000362475639 387616843 /nfs/dbraw/zinc/61/68/43/387616843.db2.gz ZKTWOIGKEYUHFS-QJPTWQEYSA-N 0 3 240.347 0.822 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1CCCO1)N(C)C ZINC000124417870 387617653 /nfs/dbraw/zinc/61/76/53/387617653.db2.gz KIMGDJRIDPEPOR-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CCS(=O)(=O)NCCN1CC[C@@H](C)[C@H](C)C1 ZINC000122975857 387619391 /nfs/dbraw/zinc/61/93/91/387619391.db2.gz IKNJSNHXJZDKEN-GHMZBOCLSA-N 0 3 248.392 0.904 20 0 BCADHN CC(C)(CCCO)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000376289329 387619624 /nfs/dbraw/zinc/61/96/24/387619624.db2.gz UTINTGQGAHASRF-VHSXEESVSA-N 0 3 246.326 0.601 20 0 BCADHN CO[C@H](CNC(=O)COC1CNC1)C(C)(C)C ZINC000430442428 387620028 /nfs/dbraw/zinc/62/00/28/387620028.db2.gz YAIDEIAGWXATFB-SNVBAGLBSA-N 0 3 244.335 0.152 20 0 BCADHN NC(=O)CCCCC(=O)NCCN1CCCC1 ZINC000430478912 387622093 /nfs/dbraw/zinc/62/20/93/387622093.db2.gz OCNFUKJYPULNCM-UHFFFAOYSA-N 0 3 241.335 0.244 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)[C@H]1CCCCN1 ZINC000430521530 387623319 /nfs/dbraw/zinc/62/33/19/387623319.db2.gz DVEVJUTZUSVYBO-MXWKQRLJSA-N 0 3 228.336 0.652 20 0 BCADHN C[C@@H](CO)NC(=O)c1ccccc1CN(C)C ZINC000362537126 387626742 /nfs/dbraw/zinc/62/67/42/387626742.db2.gz FMBPWTSXMGVPBQ-JTQLQIEISA-N 0 3 236.315 0.859 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422035835 387544897 /nfs/dbraw/zinc/54/48/97/387544897.db2.gz MCTHATPVCFFKLD-WCQYABFASA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](O)CC(=O)N(C)C[C@H]1CCCN1C ZINC000422033999 387545413 /nfs/dbraw/zinc/54/54/13/387545413.db2.gz IOVKFKLRGFQGQB-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@H](CO)C[C@@H]1C ZINC000426169008 387546652 /nfs/dbraw/zinc/54/66/52/387546652.db2.gz XJLSXSCOIKPALA-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)(C)N(CCCCCO)CC(N)=O ZINC000305075779 387546823 /nfs/dbraw/zinc/54/68/23/387546823.db2.gz QLEMNVOLDWFLES-UHFFFAOYSA-N 0 3 216.325 0.735 20 0 BCADHN CCCCCN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122567261 387547988 /nfs/dbraw/zinc/54/79/88/387547988.db2.gz VNSLFMCZMXSZIY-ZJUUUORDSA-N 0 3 214.309 0.751 20 0 BCADHN CCCCCN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122567466 387548751 /nfs/dbraw/zinc/54/87/51/387548751.db2.gz VNSLFMCZMXSZIY-NXEZZACHSA-N 0 3 214.309 0.751 20 0 BCADHN C[C@H](CO)NC(=O)c1ccccc1CN(C)C ZINC000362537127 387627044 /nfs/dbraw/zinc/62/70/44/387627044.db2.gz FMBPWTSXMGVPBQ-SNVBAGLBSA-N 0 3 236.315 0.859 20 0 BCADHN CCCN1CC[C@H](NC(=O)C(C)(C)O)C1 ZINC000389760043 387549797 /nfs/dbraw/zinc/54/97/97/387549797.db2.gz XZVHENFSXHSULB-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000375532517 387550981 /nfs/dbraw/zinc/55/09/81/387550981.db2.gz RMHBVYSYXWKMRO-FLLOTDPDSA-N 0 3 238.331 0.788 20 0 BCADHN C[C@H]1CCN(CCC(=O)N(C)C)[C@H](C(N)=O)C1 ZINC000426262129 387552191 /nfs/dbraw/zinc/55/21/91/387552191.db2.gz VKHBFPMQNZKNMY-UWVGGRQHSA-N 0 3 241.335 0.051 20 0 BCADHN CO[C@@H](C)[C@H](C)NCc1ccc(C(N)=O)nc1 ZINC000361923849 387552697 /nfs/dbraw/zinc/55/26/97/387552697.db2.gz LSEKYZCGXOXBCW-IUCAKERBSA-N 0 3 237.303 0.694 20 0 BCADHN CN([C@H]1CCNC1=O)[C@@H]1CCCC[C@H]1O ZINC000426255920 387552669 /nfs/dbraw/zinc/55/26/69/387552669.db2.gz KBFAQRYUADGVLV-KXUCPTDWSA-N 0 3 212.293 0.110 20 0 BCADHN C[C@@H]1CCN(CC2(C)COC2)[C@@H](C(N)=O)C1 ZINC000426268748 387553418 /nfs/dbraw/zinc/55/34/18/387553418.db2.gz REZSVNQXZHVKEP-NXEZZACHSA-N 0 3 226.320 0.609 20 0 BCADHN C[C@@H](O)C1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000305100743 387553388 /nfs/dbraw/zinc/55/33/88/387553388.db2.gz BKXLUNHZJNDIJY-SKDRFNHKSA-N 0 3 244.310 0.307 20 0 BCADHN CSCCN(C)C[C@H](O)CN1CCCC1=O ZINC000305110428 387553475 /nfs/dbraw/zinc/55/34/75/387553475.db2.gz FQMIAGIYFCZRTK-JTQLQIEISA-N 0 3 246.376 0.265 20 0 BCADHN CO[C@@H](C)CN1CCC[C@]2(CNC(=O)O2)C1 ZINC000375568009 387553616 /nfs/dbraw/zinc/55/36/16/387553616.db2.gz SWFJSJNFJWEAER-ONGXEEELSA-N 0 3 228.292 0.596 20 0 BCADHN CSCCN(C)C[C@@H](O)CN1CCCC1=O ZINC000305110430 387554457 /nfs/dbraw/zinc/55/44/57/387554457.db2.gz FQMIAGIYFCZRTK-SNVBAGLBSA-N 0 3 246.376 0.265 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000361939110 387554471 /nfs/dbraw/zinc/55/44/71/387554471.db2.gz LWSIRDNPGNNWRT-AXFHLTTASA-N 0 3 242.319 0.130 20 0 BCADHN COCC(C)(C)CN1CCN2CCOC[C@H]2C1 ZINC000426345702 387556159 /nfs/dbraw/zinc/55/61/59/387556159.db2.gz AOCADWZOEHNMMB-GFCCVEGCSA-N 0 3 242.363 0.675 20 0 BCADHN C[C@@H](O)CN(C)C(=O)NCCN(C)C1CC1 ZINC000361976794 387557147 /nfs/dbraw/zinc/55/71/47/387557147.db2.gz MVWPAXVYVCPFBO-SECBINFHSA-N 0 3 229.324 0.103 20 0 BCADHN CCN(C)CCNC(=O)NCCCCF ZINC000361985923 387557425 /nfs/dbraw/zinc/55/74/25/387557425.db2.gz AGXQINPZNQJVEX-UHFFFAOYSA-N 0 3 219.304 0.987 20 0 BCADHN CC(C(=O)N[C@@H]1CCSC1)S(C)(=O)=O ZINC000361978735 387557913 /nfs/dbraw/zinc/55/79/13/387557913.db2.gz MRHIVBDPHIBKRK-NKWVEPMBSA-N 0 3 237.346 0.041 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC[C@@]12CCOC2)N(C)C ZINC000422066522 387563035 /nfs/dbraw/zinc/56/30/35/387563035.db2.gz HYJPJMOZYULEEP-AAEUAGOBSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)N(C)C(=O)CN1C[C@H](CO)[C@H](C)C1 ZINC000362052312 387563329 /nfs/dbraw/zinc/56/33/29/387563329.db2.gz DXGKZONPPUPCGT-GHMZBOCLSA-N 0 3 228.336 0.413 20 0 BCADHN O=C1CO[C@@H]2CCN(CCCCF)C[C@H]2N1 ZINC000375665777 387565774 /nfs/dbraw/zinc/56/57/74/387565774.db2.gz SXLVZYOTPAHEDN-NXEZZACHSA-N 0 3 230.283 0.325 20 0 BCADHN COC(=O)CCN1CCC2(CCO2)CC1 ZINC000376400457 387627599 /nfs/dbraw/zinc/62/75/99/387627599.db2.gz USAMRHFPBFDIOU-UHFFFAOYSA-N 0 3 213.277 0.804 20 0 BCADHN CNS(=O)(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000375680530 387567140 /nfs/dbraw/zinc/56/71/40/387567140.db2.gz QXQNRMWFSHGCEC-VHSXEESVSA-N 0 3 247.364 0.009 20 0 BCADHN CC[C@@H](N)C(=O)N(CCCOC)CCOC ZINC000037901856 387567577 /nfs/dbraw/zinc/56/75/77/387567577.db2.gz LMNWAPCJYKDKEJ-SNVBAGLBSA-N 0 3 232.324 0.235 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](C)CO)N(C)C ZINC000305171152 387568606 /nfs/dbraw/zinc/56/86/06/387568606.db2.gz FEFVJCKIFRJLLC-BDAKNGLRSA-N 0 3 202.298 0.071 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](C)CO)N(C)C ZINC000305171160 387568881 /nfs/dbraw/zinc/56/88/81/387568881.db2.gz FEFVJCKIFRJLLC-IUCAKERBSA-N 0 3 202.298 0.071 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)CCCC(N)=O ZINC000426452076 387569034 /nfs/dbraw/zinc/56/90/34/387569034.db2.gz WLQBTYMJBGZCIV-JTQLQIEISA-N 0 3 241.335 0.195 20 0 BCADHN CC(C)[C@H](CO)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000362090555 387571455 /nfs/dbraw/zinc/57/14/55/387571455.db2.gz ZCVBVMQTFQLRJS-NEPJUHHUSA-N 0 3 242.363 0.804 20 0 BCADHN CCOCCCN1CCN(CCO)[C@H](C)C1 ZINC000426468984 387572119 /nfs/dbraw/zinc/57/21/19/387572119.db2.gz LBWQNPFQETXNEA-GFCCVEGCSA-N 0 3 230.352 0.411 20 0 BCADHN CC[C@@H](O)CNCc1cc(C(=O)OC)n(C)c1 ZINC000422119696 387572463 /nfs/dbraw/zinc/57/24/63/387572463.db2.gz KVXDZVGWMKINRG-SNVBAGLBSA-N 0 3 240.303 0.672 20 0 BCADHN COC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2N)o1 ZINC000424119711 387573459 /nfs/dbraw/zinc/57/34/59/387573459.db2.gz GDEWMFMFHDNCOB-SFYZADRCSA-N 0 3 238.243 0.030 20 0 BCADHN CCN(C(=O)N[C@@H](C)CN(C)C)[C@H]1CCOC1 ZINC000362111605 387575073 /nfs/dbraw/zinc/57/50/73/387575073.db2.gz GOCVNMZFEIXSHC-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN CC[C@@H](CN1CCOC[C@@H](O)C1)OC ZINC000399882646 387575128 /nfs/dbraw/zinc/57/51/28/387575128.db2.gz GOXFFDZOQHMBHJ-UWVGGRQHSA-N 0 3 203.282 0.105 20 0 BCADHN CCN(C(=O)N[C@@H](C)CN(C)C)[C@@H]1CCOC1 ZINC000362111606 387575437 /nfs/dbraw/zinc/57/54/37/387575437.db2.gz GOCVNMZFEIXSHC-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN COc1ccc(CN[C@@H](CCO)C(C)C)nn1 ZINC000283036209 387576058 /nfs/dbraw/zinc/57/60/58/387576058.db2.gz IAAWYAZZVBEYRV-NSHDSACASA-N 0 3 239.319 0.982 20 0 BCADHN CC(C)N(CCN(C)S(N)(=O)=O)C(C)C ZINC000355802220 387578484 /nfs/dbraw/zinc/57/84/84/387578484.db2.gz VWFWHJRGGJBXIZ-UHFFFAOYSA-N 0 3 237.369 0.241 20 0 BCADHN Cc1cnn(C)c1CNC[C@@H](O)[C@H]1CCCO1 ZINC000527758001 387694280 /nfs/dbraw/zinc/69/42/80/387694280.db2.gz RXWLBSOPSXIVRI-VXGBXAGGSA-N 0 3 239.319 0.358 20 0 BCADHN CCN(C)S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000124731762 387631363 /nfs/dbraw/zinc/63/13/63/387631363.db2.gz CHLASTCBZZLBSP-AOOOYVTPSA-N 0 3 247.364 0.009 20 0 BCADHN Cn1ccc(CNC[C@H](O)COCC2CC2)c1 ZINC000305715163 387632959 /nfs/dbraw/zinc/63/29/59/387632959.db2.gz GUAHOMBCRPLEKG-ZDUSSCGKSA-N 0 3 238.331 0.902 20 0 BCADHN CCOCCNC(=O)[C@H](CC)N(C)C ZINC000124853749 387633758 /nfs/dbraw/zinc/63/37/58/387633758.db2.gz VMUVZCDDUDAGES-VIFPVBQESA-N 0 3 202.298 0.479 20 0 BCADHN CCOCCNC(=O)CNC(C)(C)C(C)(C)O ZINC000356247871 387634483 /nfs/dbraw/zinc/63/44/83/387634483.db2.gz CPLNYIRVLKIWPR-UHFFFAOYSA-N 0 3 246.351 0.278 20 0 BCADHN C[C@H](O)COC(=O)CCN1CCOCC[C@H]1C ZINC000376447193 387634769 /nfs/dbraw/zinc/63/47/69/387634769.db2.gz IQAMWKVFCVFTCI-MNOVXSKESA-N 0 3 245.319 0.411 20 0 BCADHN CC[C@@H](C)N(C)CCNS(=O)(=O)C1CC1 ZINC000123025809 387635670 /nfs/dbraw/zinc/63/56/70/387635670.db2.gz HTHVZRDQTOAKAU-SECBINFHSA-N 0 3 234.365 0.799 20 0 BCADHN C[C@H](CN1CCCC[C@H]1CN)CS(C)(=O)=O ZINC000430644283 387636794 /nfs/dbraw/zinc/63/67/94/387636794.db2.gz MVYISNNYYRAZGY-MNOVXSKESA-N 0 3 248.392 0.480 20 0 BCADHN Cn1nccc1CNC[C@@H](O)[C@H]1CCCO1 ZINC000527758225 387694872 /nfs/dbraw/zinc/69/48/72/387694872.db2.gz JGBSLIMWXHYBQA-GHMZBOCLSA-N 0 3 225.292 0.050 20 0 BCADHN Cc1noc(C)c1CCNC(=O)[C@@H]1C[C@@H]1N ZINC000424134006 387638797 /nfs/dbraw/zinc/63/87/97/387638797.db2.gz HKERLGDDMDOJOM-ZJUUUORDSA-N 0 3 223.276 0.297 20 0 BCADHN CN(C)CCN(C(=O)COC(F)F)C1CC1 ZINC000356294600 387640377 /nfs/dbraw/zinc/64/03/77/387640377.db2.gz UABQIWUVMBCGMD-UHFFFAOYSA-N 0 3 236.262 0.778 20 0 BCADHN CN(CCN1CCCC1)CC(=O)N1CCCC1 ZINC000125056857 387640548 /nfs/dbraw/zinc/64/05/48/387640548.db2.gz TUTMJOMPBRWXSR-UHFFFAOYSA-N 0 3 239.363 0.636 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C(=O)[C@]1(F)CCNC1 ZINC000125331142 387652337 /nfs/dbraw/zinc/65/23/37/387652337.db2.gz XIJYLUIZUQBYMU-YWVKMMECSA-N 0 3 230.283 0.324 20 0 BCADHN O=C1CCCN1CCCN1CCCOCC1 ZINC000520170783 387653036 /nfs/dbraw/zinc/65/30/36/387653036.db2.gz OSMGIUNJDBJVDU-UHFFFAOYSA-N 0 3 226.320 0.721 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H]1CCCn2ncnc21 ZINC000430804405 387654552 /nfs/dbraw/zinc/65/45/52/387654552.db2.gz DNZCJIMHMSTNCK-BDAKNGLRSA-N 0 3 237.307 0.357 20 0 BCADHN O=C(CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCCC1 ZINC000125377044 387654803 /nfs/dbraw/zinc/65/48/03/387654803.db2.gz OUWWDCVZPYUMMS-TUAOUCFPSA-N 0 3 238.331 0.312 20 0 BCADHN Cc1cc(CN[C@@H](C)CC(N)=O)ccn1 ZINC000527677583 387655595 /nfs/dbraw/zinc/65/55/95/387655595.db2.gz SINWGALZLUSABH-VIFPVBQESA-N 0 3 207.277 0.744 20 0 BCADHN CC[C@H](N)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000430899995 387659031 /nfs/dbraw/zinc/65/90/31/387659031.db2.gz OCAGDRRPDXBYEN-MNOVXSKESA-N 0 3 225.336 0.419 20 0 BCADHN CC[C@@H](CCO)CNCc1ccn(C)n1 ZINC000149717206 387666604 /nfs/dbraw/zinc/66/66/04/387666604.db2.gz JWTJHEDNEPNLCJ-JTQLQIEISA-N 0 3 211.309 0.918 20 0 BCADHN CCS(=O)(=O)NCCN1[C@H](C)CC[C@H]1C ZINC000123231401 387670358 /nfs/dbraw/zinc/67/03/58/387670358.db2.gz MLKVHCDLEYHHAO-NXEZZACHSA-N 0 3 234.365 0.799 20 0 BCADHN Cc1cncn1CC(=O)NC1CCN(C)CC1 ZINC000527713308 387670460 /nfs/dbraw/zinc/67/04/60/387670460.db2.gz ZHWZJAJYXZENFB-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000356549417 387672300 /nfs/dbraw/zinc/67/23/00/387672300.db2.gz NEQRHDSBJGXWGL-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356572878 387674929 /nfs/dbraw/zinc/67/49/29/387674929.db2.gz GTVPPUOZIMPXGM-AXFHLTTASA-N 0 3 226.320 0.479 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)C ZINC000126229631 387677803 /nfs/dbraw/zinc/67/78/03/387677803.db2.gz FDNZFRSBIIRCTP-JTQLQIEISA-N 0 3 243.351 0.248 20 0 BCADHN C[C@@H](NCCCn1ccnn1)c1nccn1C ZINC000126399164 387678612 /nfs/dbraw/zinc/67/86/12/387678612.db2.gz BNYGREBZOQRYPQ-SNVBAGLBSA-N 0 3 234.307 0.753 20 0 BCADHN COC[C@]1(CO)CCN(CCOCC(C)C)C1 ZINC000451924381 387681250 /nfs/dbraw/zinc/68/12/50/387681250.db2.gz DJWPMKDKXYZWRA-CYBMUJFWSA-N 0 3 245.363 0.990 20 0 BCADHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CC12CC2 ZINC000640320209 387682578 /nfs/dbraw/zinc/68/25/78/387682578.db2.gz MVSFUILRRGBBGH-MNOVXSKESA-N 0 3 238.331 0.359 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCCC(=O)NC(C)C ZINC000451938619 387682994 /nfs/dbraw/zinc/68/29/94/387682994.db2.gz OWQNBMHIJDKXLT-GHMZBOCLSA-N 0 3 244.335 0.295 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCCOCC(F)F ZINC000451942018 387684224 /nfs/dbraw/zinc/68/42/24/387684224.db2.gz ADWBAWWBGCSVRG-RKDXNWHRSA-N 0 3 239.262 0.662 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCCn1cccn1 ZINC000451935371 387684357 /nfs/dbraw/zinc/68/43/57/387684357.db2.gz ISSUVZTWOISGPF-GHMZBOCLSA-N 0 3 225.292 0.277 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@H](O)C(C)C ZINC000451948534 387686627 /nfs/dbraw/zinc/68/66/27/387686627.db2.gz UGACALSKWUUWRS-OUAUKWLOSA-N 0 3 217.309 0.397 20 0 BCADHN C[C@H](N)C(=O)N1CCCOC(C)(C)C1 ZINC000306346894 387687008 /nfs/dbraw/zinc/68/70/08/387687008.db2.gz RNOXJXHOFPVXCJ-QMMMGPOBSA-N 0 3 200.282 0.361 20 0 BCADHN Cn1nccc1CN[C@@H]1CCN(C2CC2)C1 ZINC000044686068 387689037 /nfs/dbraw/zinc/68/90/37/387689037.db2.gz GBBWXWYERHYRMX-SNVBAGLBSA-N 0 3 220.320 0.746 20 0 BCADHN O[C@@H]1COC[C@H]1N1CCC[C@@]2(CCSC2)C1 ZINC000451986001 387691645 /nfs/dbraw/zinc/69/16/45/387691645.db2.gz XDBCMNIPMRMZKH-IJLUTSLNSA-N 0 3 243.372 0.965 20 0 BCADHN CCc1cc(C(=O)N2CCCN(C)CC2)n[nH]1 ZINC000126661112 387692460 /nfs/dbraw/zinc/69/24/60/387692460.db2.gz AKBNBAJXMCQLMM-UHFFFAOYSA-N 0 3 236.319 0.750 20 0 BCADHN Cc1c([C@H]2CCCN2CCO)cnn1C ZINC000363153600 387693858 /nfs/dbraw/zinc/69/38/58/387693858.db2.gz UQMGUGZCAFCRNG-LLVKDONJSA-N 0 3 209.293 0.858 20 0 BCADHN CN(C)c1ncc(CNCC2COC2)n1C ZINC000527819890 387742657 /nfs/dbraw/zinc/74/26/57/387742657.db2.gz OGXJDDQTGWCORY-UHFFFAOYSA-N 0 3 224.308 0.222 20 0 BCADHN CCN(CC(N)=O)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000356903834 387743302 /nfs/dbraw/zinc/74/33/02/387743302.db2.gz OCYWDEKIJPUQHE-AOOOYVTPSA-N 0 3 241.335 0.193 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000356909258 387743630 /nfs/dbraw/zinc/74/36/30/387743630.db2.gz CGOVWWXEIJCGAU-QCLAVDOMSA-N 0 3 240.303 0.004 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441295402 387744365 /nfs/dbraw/zinc/74/43/65/387744365.db2.gz RELRQLLSXQYLFH-IJLUTSLNSA-N 0 3 240.347 0.999 20 0 BCADHN O=C1NC[C@@H]2CN(Cc3cccnc3)CC[C@H]12 ZINC000377718589 387744642 /nfs/dbraw/zinc/74/46/42/387744642.db2.gz DNIQMDNDNFMPBF-NEPJUHHUSA-N 0 3 231.299 0.650 20 0 BCADHN CC(C)N(C)C(=O)CN1CC[C@@H](CCCO)C1 ZINC000452118050 387745772 /nfs/dbraw/zinc/74/57/72/387745772.db2.gz DLHAGGLHICACIR-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN CCCCN1CCC[C@H](S(N)(=O)=O)C1 ZINC000377904313 387756407 /nfs/dbraw/zinc/75/64/07/387756407.db2.gz DIMXHLMXKRQSBH-VIFPVBQESA-N 0 3 220.338 0.539 20 0 BCADHN CC(C)CNC(=O)CN1CC[C@H](CCCO)C1 ZINC000452137318 387753113 /nfs/dbraw/zinc/75/31/13/387753113.db2.gz ZXSWLQDGXPZBTH-LBPRGKRZSA-N 0 3 242.363 0.853 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@H]21 ZINC000377882497 387754472 /nfs/dbraw/zinc/75/44/72/387754472.db2.gz FNLFQBCJLOHADU-HBNTYKKESA-N 0 3 226.320 0.479 20 0 BCADHN O=C(NC1CCN(C2CC2)CC1)c1cccnn1 ZINC000527761214 387697472 /nfs/dbraw/zinc/69/74/72/387697472.db2.gz FQZHTYXWBNIQOR-UHFFFAOYSA-N 0 3 246.314 0.833 20 0 BCADHN Cc1nn(C)cc1CNC[C@H](O)[C@H]1CCCO1 ZINC000527759297 387697542 /nfs/dbraw/zinc/69/75/42/387697542.db2.gz SLDUISDMFSNEDO-NWDGAFQWSA-N 0 3 239.319 0.358 20 0 BCADHN CN(C)CCN(C(=O)c1cn(C)cn1)C1CC1 ZINC000431367421 387705832 /nfs/dbraw/zinc/70/58/32/387705832.db2.gz CMMAHAOWSMBXEF-UHFFFAOYSA-N 0 3 236.319 0.586 20 0 BCADHN C(NC1COC1)[C@H]1CCC[C@H]1N1CCOCC1 ZINC000367480017 387714767 /nfs/dbraw/zinc/71/47/67/387714767.db2.gz HBELMIRZKAUDMW-DGCLKSJQSA-N 0 3 240.347 0.476 20 0 BCADHN Cc1cc(CNCC23CC(C2)CO3)n(C)n1 ZINC000527787493 387715181 /nfs/dbraw/zinc/71/51/81/387715181.db2.gz FBWLKLFLCZUAJY-UHFFFAOYSA-N 0 3 221.304 0.997 20 0 BCADHN CSC[C@H](C)NC(=O)[C@H](N)C(C)C ZINC000127653390 387715548 /nfs/dbraw/zinc/71/55/48/387715548.db2.gz GZRYUQGZRHBANO-JGVFFNPUSA-N 0 3 204.339 0.837 20 0 BCADHN CCN(CCCC(=O)OC)[C@@H]1CCNC1=O ZINC000440948154 387715474 /nfs/dbraw/zinc/71/54/74/387715474.db2.gz AHVCSMORVXCQGG-SECBINFHSA-N 0 3 228.292 0.150 20 0 BCADHN CCN(C)CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC000377419450 387716613 /nfs/dbraw/zinc/71/66/13/387716613.db2.gz NUHVVKWVMLYYHA-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN Cc1cnn(C)c1CNCC12CC(C1)CO2 ZINC000527791680 387717612 /nfs/dbraw/zinc/71/76/12/387717612.db2.gz VDGYPABKYZRVNA-UHFFFAOYSA-N 0 3 221.304 0.997 20 0 BCADHN Cc1ncc(CNCC23CC(C2)CO3)n1C ZINC000527791655 387718149 /nfs/dbraw/zinc/71/81/49/387718149.db2.gz UHVGTXWWFJGPLX-UHFFFAOYSA-N 0 3 221.304 0.997 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N1CCCN(CC)CC1 ZINC000377474850 387719168 /nfs/dbraw/zinc/71/91/68/387719168.db2.gz CJEXZZFRDOHUKH-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000424141834 387719907 /nfs/dbraw/zinc/71/99/07/387719907.db2.gz XRZISZIYYMCFOQ-LPEHRKFASA-N 0 3 234.303 0.463 20 0 BCADHN COc1ccc(CCNCc2cnnn2C)cn1 ZINC000527794174 387720508 /nfs/dbraw/zinc/72/05/08/387720508.db2.gz YOGCTYHFIXLJFU-UHFFFAOYSA-N 0 3 247.302 0.551 20 0 BCADHN CCN(C[C@H](O)CCC(C)C)[C@H]1CCNC1=O ZINC000440970276 387720787 /nfs/dbraw/zinc/72/07/87/387720787.db2.gz ZWIOGSNAYIPGCV-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN COC[C@H](O)CN1CCS[C@H]2COCC[C@@H]21 ZINC000127615948 387720948 /nfs/dbraw/zinc/72/09/48/387720948.db2.gz XANXWGQIYWMOEE-VWYCJHECSA-N 0 3 247.360 0.200 20 0 BCADHN CC[C@@H](C(=O)NCCN(C)C)[C@H](C)O ZINC000431619679 387721403 /nfs/dbraw/zinc/72/14/03/387721403.db2.gz HDNLLYNIQLWWKP-DTWKUNHWSA-N 0 3 202.298 0.071 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1C[C@H](C)C[C@@H](O)C1 ZINC000452067028 387721781 /nfs/dbraw/zinc/72/17/81/387721781.db2.gz HBWHCDPCZVDDCP-CKYFFXLPSA-N 0 3 245.319 0.003 20 0 BCADHN CN(C)S(=O)(=O)CCN1CC[C@@H](C2CC2)C1 ZINC000367545145 387723699 /nfs/dbraw/zinc/72/36/99/387723699.db2.gz SQDDRJRKJAEDMY-LLVKDONJSA-N 0 3 246.376 0.610 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000356813022 387724287 /nfs/dbraw/zinc/72/42/87/387724287.db2.gz IVWZMWPODXFESN-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000356813020 387724328 /nfs/dbraw/zinc/72/43/28/387724328.db2.gz IVWZMWPODXFESN-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H](F)CCN1CCNC(=O)C[C@@H]1C ZINC000367554515 387726703 /nfs/dbraw/zinc/72/67/03/387726703.db2.gz UYGQRAGREAUMMC-IUCAKERBSA-N 0 3 202.273 0.945 20 0 BCADHN COC[C@H]1CCCN(CC(=O)N2CCC2)CC1 ZINC000452078139 387727937 /nfs/dbraw/zinc/72/79/37/387727937.db2.gz GLVKIGLLUKFOQE-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN CC1(C)CCCN1CCNS(=O)(=O)C1CC1 ZINC000452083921 387733246 /nfs/dbraw/zinc/73/32/46/387733246.db2.gz HPQZOJVWZHFQGB-UHFFFAOYSA-N 0 3 246.376 0.943 20 0 BCADHN CCNC(=O)CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441196817 387733721 /nfs/dbraw/zinc/73/37/21/387733721.db2.gz MSOHHOSHFGRSHT-RYUDHWBXSA-N 0 3 240.347 0.871 20 0 BCADHN CN(CCC(N)=O)C[C@@H]1Cc2ccccc2O1 ZINC000367605596 387734551 /nfs/dbraw/zinc/73/45/51/387734551.db2.gz HMEMRXBQDKZNCK-NSHDSACASA-N 0 3 234.299 0.797 20 0 BCADHN C[C@@H]1C[C@@H](O)CN(C[C@H](O)COC(C)(C)C)C1 ZINC000452098437 387735001 /nfs/dbraw/zinc/73/50/01/387735001.db2.gz OPKCAAWDGIFJBR-UTUOFQBUSA-N 0 3 245.363 0.865 20 0 BCADHN CCNC(=O)CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441196818 387734998 /nfs/dbraw/zinc/73/49/98/387734998.db2.gz MSOHHOSHFGRSHT-VXGBXAGGSA-N 0 3 240.347 0.871 20 0 BCADHN CN(C)c1ncc(CNCC2COC2)cn1 ZINC000527816974 387736904 /nfs/dbraw/zinc/73/69/04/387736904.db2.gz JBBHRTYBEJIJEL-UHFFFAOYSA-N 0 3 222.292 0.279 20 0 BCADHN C[NH+](C)[C@H]1CC[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000128105776 387737113 /nfs/dbraw/zinc/73/71/13/387737113.db2.gz HKAKHVKRRWTEDU-YUMQZZPRSA-N 0 3 223.280 0.017 20 0 BCADHN C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000128105776 387737121 /nfs/dbraw/zinc/73/71/21/387737121.db2.gz HKAKHVKRRWTEDU-YUMQZZPRSA-N 0 3 223.280 0.017 20 0 BCADHN C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000128105776 387737124 /nfs/dbraw/zinc/73/71/24/387737124.db2.gz HKAKHVKRRWTEDU-YUMQZZPRSA-N 0 3 223.280 0.017 20 0 BCADHN C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2c[n-]nn2)C1 ZINC000128106014 387737720 /nfs/dbraw/zinc/73/77/20/387737720.db2.gz HKAKHVKRRWTEDU-HTQZYQBOSA-N 0 3 223.280 0.017 20 0 BCADHN C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC000128106014 387737724 /nfs/dbraw/zinc/73/77/24/387737724.db2.gz HKAKHVKRRWTEDU-HTQZYQBOSA-N 0 3 223.280 0.017 20 0 BCADHN C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000128106014 387737729 /nfs/dbraw/zinc/73/77/29/387737729.db2.gz HKAKHVKRRWTEDU-HTQZYQBOSA-N 0 3 223.280 0.017 20 0 BCADHN CCNS(=O)(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000452107765 387737680 /nfs/dbraw/zinc/73/76/80/387737680.db2.gz UBZVJBKBLDWWGB-SNVBAGLBSA-N 0 3 249.380 0.255 20 0 BCADHN O=C1NC[C@H]2CN(Cc3ccccn3)CC[C@@H]12 ZINC000377671044 387737633 /nfs/dbraw/zinc/73/76/33/387737633.db2.gz HTUCJAOJJVBPRK-CMPLNLGQSA-N 0 3 231.299 0.650 20 0 BCADHN O=C1NC[C@H]2CN(CCOCC(F)F)CC[C@H]12 ZINC000377658368 387737842 /nfs/dbraw/zinc/73/78/42/387737842.db2.gz XFCZEDXCHJVBBC-IUCAKERBSA-N 0 3 248.273 0.336 20 0 BCADHN CCN(CC)[C@H](C)CNC(=O)C[S@](=O)CC ZINC000431908072 387738594 /nfs/dbraw/zinc/73/85/94/387738594.db2.gz XITHBXRIPLSVMO-QLJPJBMISA-N 0 3 248.392 0.602 20 0 BCADHN C[C@@H](F)CCN1C[C@H]2OCCN(C)[C@H]2C1 ZINC000377681700 387739802 /nfs/dbraw/zinc/73/98/02/387739802.db2.gz PFBKXLYJQWSDKZ-OUAUKWLOSA-N 0 3 216.300 0.749 20 0 BCADHN CCCCN1CCN(CCO)C[C@H]1C ZINC000452115262 387739950 /nfs/dbraw/zinc/73/99/50/387739950.db2.gz LJFLAJNONIDHRY-LLVKDONJSA-N 0 3 200.326 0.785 20 0 BCADHN O=C1NC[C@@H]2CN(CCOC3CCC3)CC[C@@H]12 ZINC000377681140 387741998 /nfs/dbraw/zinc/74/19/98/387741998.db2.gz QQQNCUYODMKBTO-ZYHUDNBSSA-N 0 3 238.331 0.623 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NCC[C@H](O)CC ZINC000422896327 387766126 /nfs/dbraw/zinc/76/61/26/387766126.db2.gz XSSICNYVNDTSFC-GMTAPVOTSA-N 0 3 244.335 0.031 20 0 BCADHN COC(=O)CCCNC(=O)[C@H](C(C)C)N(C)C ZINC000129432969 387769646 /nfs/dbraw/zinc/76/96/46/387769646.db2.gz QYXPHKLJXACJBB-NSHDSACASA-N 0 3 244.335 0.642 20 0 BCADHN CC(C)(C)C[C@H](O)CNC(=O)[C@@]1(F)CCNC1 ZINC000378209714 387771637 /nfs/dbraw/zinc/77/16/37/387771637.db2.gz BPOBRABSNPJPIG-JOYOIKCWSA-N 0 3 246.326 0.601 20 0 BCADHN CN1C(=O)C[C@@H](N2CC[C@H](C3CC3)C2)C1=O ZINC000378304375 387773689 /nfs/dbraw/zinc/77/36/89/387773689.db2.gz HDLQQRKCSIYFJT-VHSXEESVSA-N 0 3 222.288 0.476 20 0 BCADHN O=C1NC[C@H](CN2CC[C@@H]3OCCC[C@H]3C2)O1 ZINC000378278882 387774074 /nfs/dbraw/zinc/77/40/74/387774074.db2.gz DAAKXYJUKOTTIP-AXFHLTTASA-N 0 3 240.303 0.596 20 0 BCADHN CC[C@H](C(=O)NCC[C@@H](C)CCO)N(C)C ZINC000452247155 387780164 /nfs/dbraw/zinc/78/01/64/387780164.db2.gz HJBNURMIYUZJDA-GHMZBOCLSA-N 0 3 230.352 0.851 20 0 BCADHN CC(C)N(C)CC(=O)NCC[C@@H](C)CCO ZINC000452247701 387780200 /nfs/dbraw/zinc/78/02/00/387780200.db2.gz MWMQMPNNQSLLLZ-LLVKDONJSA-N 0 3 230.352 0.851 20 0 BCADHN CCN(C(=O)[C@]1(F)CCNC1)C(C)C ZINC000150941908 387784256 /nfs/dbraw/zinc/78/42/56/387784256.db2.gz ANNZSWLPWVTKBT-JTQLQIEISA-N 0 3 202.273 0.945 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@@H](O)[C@@H]1CCCO1 ZINC000527958191 387784755 /nfs/dbraw/zinc/78/47/55/387784755.db2.gz VDSRLOVXJJBOLE-AXTRIDKLSA-N 0 3 239.319 0.909 20 0 BCADHN C[C@H](NC[C@@H](O)[C@@H]1CCCO1)c1cnn(C)c1 ZINC000527958572 387785972 /nfs/dbraw/zinc/78/59/72/387785972.db2.gz WRAYBELQVJDUOZ-WCQGTBRESA-N 0 3 239.319 0.611 20 0 BCADHN CCn1ncc(CN[C@@H]2CCCOCC2)n1 ZINC000527921158 387789796 /nfs/dbraw/zinc/78/97/96/387789796.db2.gz LCHMLIMFFZJORD-SNVBAGLBSA-N 0 3 224.308 0.957 20 0 BCADHN Cc1nccn1CCCCNC(=O)[C@@H]1C[C@@H]1N ZINC000424149302 387790294 /nfs/dbraw/zinc/79/02/94/387790294.db2.gz WJLXJNZUYYIKDT-MNOVXSKESA-N 0 3 236.319 0.435 20 0 BCADHN CC[C@@H](CO)N(C)C(=O)CN(C)C(C)C ZINC000452283546 387791335 /nfs/dbraw/zinc/79/13/35/387791335.db2.gz MBNRJKNUTGGNHY-JTQLQIEISA-N 0 3 216.325 0.556 20 0 BCADHN CCO[C@H](C)C(=O)N1CCCN(CC)CC1 ZINC000359978179 387791858 /nfs/dbraw/zinc/79/18/58/387791858.db2.gz NPBBYKQGMBROKM-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC(C(=O)NC12CCC(CC1)C2)S(C)(=O)=O ZINC000378648208 387792541 /nfs/dbraw/zinc/79/25/41/387792541.db2.gz KGKHOTCAMXHHGB-SILCLGDVSA-N 0 3 245.344 0.868 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@@H](CC)CCO ZINC000422982694 387793586 /nfs/dbraw/zinc/79/35/86/387793586.db2.gz XOFDYANXRYIXPS-HBNTYKKESA-N 0 3 244.335 0.031 20 0 BCADHN CC(C)n1nccc1NC(=O)[C@@H]1C[C@@H]1N ZINC000050457311 387794671 /nfs/dbraw/zinc/79/46/71/387794671.db2.gz SPLVXVSWBDKRQD-SFYZADRCSA-N 0 3 208.265 0.750 20 0 BCADHN COC[C@@H](C)CC(=O)NC[C@@H](C)N(C)C ZINC000445517885 387795503 /nfs/dbraw/zinc/79/55/03/387795503.db2.gz IKPQNSZFCXTWON-VHSXEESVSA-N 0 3 216.325 0.725 20 0 BCADHN NC(=O)N[C@@H]1CCN(CCC[C@@H]2CCOC2)C1 ZINC000645842722 387797747 /nfs/dbraw/zinc/79/77/47/387797747.db2.gz MAJYFSGOBGUVTO-GHMZBOCLSA-N 0 3 241.335 0.546 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCCN1CCCCC1 ZINC000193646377 387799360 /nfs/dbraw/zinc/79/93/60/387799360.db2.gz HUHGXLROLBFSLG-NWDGAFQWSA-N 0 3 239.363 0.587 20 0 BCADHN CC[C@H]1C(=O)NCCN1CCN1CCCCC1 ZINC000151087513 387799568 /nfs/dbraw/zinc/79/95/68/387799568.db2.gz QOFPIYDNQXSEOQ-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN NC(=O)N[C@@H]1CCN(CC2=CCCC2)C1 ZINC000645842611 387799835 /nfs/dbraw/zinc/79/98/35/387799835.db2.gz CPTCKVKVFLPUPT-SNVBAGLBSA-N 0 3 209.293 0.839 20 0 BCADHN COC[C@H](C)C[NH2+]Cc1cnc(C)[n-]c1=O ZINC000309497182 387809700 /nfs/dbraw/zinc/80/97/00/387809700.db2.gz YRMLHPBNDLHPIN-MRVPVSSYSA-N 0 3 225.292 0.863 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000128849391 387757796 /nfs/dbraw/zinc/75/77/96/387757796.db2.gz MNWWDWRZLAKWSM-JGVFFNPUSA-N 0 3 229.324 0.143 20 0 BCADHN CC[C@@H](C(N)=O)N1C[C@H](C(=O)OC)C(C)(C)C1 ZINC000377985059 387759888 /nfs/dbraw/zinc/75/98/88/387759888.db2.gz FLRISDJFSPSPFZ-BDAKNGLRSA-N 0 3 242.319 0.381 20 0 BCADHN CC[C@@H](C(=O)NCCC(C)(C)CO)N(C)C ZINC000452433491 387824516 /nfs/dbraw/zinc/82/45/16/387824516.db2.gz QAZOTOPRJBHGLT-JTQLQIEISA-N 0 3 230.352 0.851 20 0 BCADHN CC[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000422973683 387824639 /nfs/dbraw/zinc/82/46/39/387824639.db2.gz PKLOQILWYSHFQT-NXEZZACHSA-N 0 3 241.335 0.098 20 0 BCADHN CCN(CC)CC(=O)NC[C@H](C)CCCO ZINC000452444311 387826495 /nfs/dbraw/zinc/82/64/95/387826495.db2.gz SAJRCVRDNGDLFQ-LLVKDONJSA-N 0 3 230.352 0.853 20 0 BCADHN CCN(CC(=O)NCCN1CCCC1)C1CC1 ZINC000442709950 387827493 /nfs/dbraw/zinc/82/74/93/387827493.db2.gz PFOJEVSCJHEFOB-UHFFFAOYSA-N 0 3 239.363 0.683 20 0 BCADHN CCOCCN(C)[C@@H](CO)COC(C)C ZINC000433156235 387873100 /nfs/dbraw/zinc/87/31/00/387873100.db2.gz AMBVDTAMDQEDDW-NSHDSACASA-N 0 3 219.325 0.741 20 0 BCADHN CSCC[C@H](N)C(=O)N1CCO[C@@H](C)C1 ZINC000040457878 387829741 /nfs/dbraw/zinc/82/97/41/387829741.db2.gz IDVFQGYBXNQOBU-IUCAKERBSA-N 0 3 232.349 0.314 20 0 BCADHN COCCN(CC1(C)CCC1)[C@H](C)C(N)=O ZINC000432825072 387830143 /nfs/dbraw/zinc/83/01/43/387830143.db2.gz RUIYYVZPIDCUFU-SNVBAGLBSA-N 0 3 228.336 0.999 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCO[C@@H](COC)C1 ZINC000442730993 387830726 /nfs/dbraw/zinc/83/07/26/387830726.db2.gz QGKVXJXUUFVKEV-MXWKQRLJSA-N 0 3 244.335 0.234 20 0 BCADHN CC(C)C[C@@H](N)c1noc(COC2CNC2)n1 ZINC000442743072 387832235 /nfs/dbraw/zinc/83/22/35/387832235.db2.gz DTFQVEBTUHFFPC-SECBINFHSA-N 0 3 240.307 0.604 20 0 BCADHN C[C@H](N)C(=O)N1CCOC2(CCCC2)C1 ZINC000157543138 387833098 /nfs/dbraw/zinc/83/30/98/387833098.db2.gz FGXXEILCGLKPEO-VIFPVBQESA-N 0 3 212.293 0.505 20 0 BCADHN NC1(c2noc(COC3CNC3)n2)CCCC1 ZINC000442751180 387835593 /nfs/dbraw/zinc/83/55/93/387835593.db2.gz HQZANSJKFFOBAM-UHFFFAOYSA-N 0 3 238.291 0.286 20 0 BCADHN CCN(C)S(=O)(=O)N1CCNC[C@H]1C(C)C ZINC000528047669 387837493 /nfs/dbraw/zinc/83/74/93/387837493.db2.gz GOSOEGUVHIDDHD-JTQLQIEISA-N 0 3 249.380 0.113 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2ccccc2)C1 ZINC000424159049 387837706 /nfs/dbraw/zinc/83/77/06/387837706.db2.gz SGGCLYIYISBDAF-KGYLQXTDSA-N 0 3 245.326 0.729 20 0 BCADHN CCSCC[C@@H](C)NC(=O)CNC ZINC000158310550 387838033 /nfs/dbraw/zinc/83/80/33/387838033.db2.gz JWLISFPJHYKRBA-MRVPVSSYSA-N 0 3 204.339 0.854 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H]1CCNCC1(F)F ZINC000424159485 387839779 /nfs/dbraw/zinc/83/97/79/387839779.db2.gz AAFKWZACUICFBE-YUMQZZPRSA-N 0 3 235.278 0.085 20 0 BCADHN C[C@@H](CO)N1CCCN(Cc2cocn2)CC1 ZINC000432919515 387841208 /nfs/dbraw/zinc/84/12/08/387841208.db2.gz UGLRINKBDZDSGQ-NSHDSACASA-N 0 3 239.319 0.563 20 0 BCADHN COc1nccnc1CN[C@H]1CCCN(C)C1 ZINC000648432575 387844951 /nfs/dbraw/zinc/84/49/51/387844951.db2.gz ZCSSWYQOUHVSFA-JTQLQIEISA-N 0 3 236.319 0.669 20 0 BCADHN CN1CC[C@H](CNC(=O)c2cccnn2)C1 ZINC000528116021 387848071 /nfs/dbraw/zinc/84/80/71/387848071.db2.gz KYDYFARDBYEKMC-SECBINFHSA-N 0 3 220.276 0.158 20 0 BCADHN COC[C@H]1CCCN(CC(=O)N2CCCC2)C1 ZINC000062160762 387851432 /nfs/dbraw/zinc/85/14/32/387851432.db2.gz DBZMXOLHHGUKLN-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN CCCC[C@H](N)C(=O)N1CCn2ccnc2C1 ZINC000062254849 387852278 /nfs/dbraw/zinc/85/22/78/387852278.db2.gz KMXDCVATCUJEFB-JTQLQIEISA-N 0 3 236.319 0.743 20 0 BCADHN C[C@H](O)CCN(C)Cc1cccc(C(N)=O)c1 ZINC000075779936 387853371 /nfs/dbraw/zinc/85/33/71/387853371.db2.gz ZFSZLLMXYFMLSA-JTQLQIEISA-N 0 3 236.315 0.988 20 0 BCADHN NC(=O)C1(NCCC[C@H]2CCOC2)CC1 ZINC000645847904 387857427 /nfs/dbraw/zinc/85/74/27/387857427.db2.gz QKAILVGVVKYLJM-VIFPVBQESA-N 0 3 212.293 0.411 20 0 BCADHN COCCCCNC(=O)[C@]1(F)CCNC1 ZINC000151593210 387861154 /nfs/dbraw/zinc/86/11/54/387861154.db2.gz YURAZFUOOVJCKF-JTQLQIEISA-N 0 3 218.272 0.231 20 0 BCADHN C[C@]1(C(=O)N[C@H]2CNCCC2(F)F)C[C@H]1F ZINC000424169971 387864397 /nfs/dbraw/zinc/86/43/97/387864397.db2.gz APSOUOGGCUBHTO-FJXKBIBVSA-N 0 3 236.237 0.848 20 0 BCADHN CCC[C@](C)(O)C(=O)NC[C@H]1CCCN1C ZINC000433129475 387867918 /nfs/dbraw/zinc/86/79/18/387867918.db2.gz DGHLDBNGYORMNJ-PWSUYJOCSA-N 0 3 228.336 0.748 20 0 BCADHN CCC[C@](C)(O)C(=O)NCCN1CCCC1 ZINC000432759402 387814191 /nfs/dbraw/zinc/81/41/91/387814191.db2.gz RTKFTBCVXGAXCX-LBPRGKRZSA-N 0 3 228.336 0.750 20 0 BCADHN CN(C)CCNC(=O)NCC(F)(F)F ZINC000136222406 387814888 /nfs/dbraw/zinc/81/48/88/387814888.db2.gz ORJGAXUOGGBINS-UHFFFAOYSA-N 0 3 213.203 0.410 20 0 BCADHN CCOCC[C@H](O)CN1CC(C)(COC)C1 ZINC000432754044 387814911 /nfs/dbraw/zinc/81/49/11/387814911.db2.gz XWRQYLFHENKPKW-NSHDSACASA-N 0 3 231.336 0.742 20 0 BCADHN COC[C@](C)(CC(=O)OC)NC[C@H](O)C(C)C ZINC000432781889 387817488 /nfs/dbraw/zinc/81/74/88/387817488.db2.gz QFNOAFCKDUHXNO-JQWIXIFHSA-N 0 3 247.335 0.561 20 0 BCADHN NC1(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000564075792 387819176 /nfs/dbraw/zinc/81/91/76/387819176.db2.gz SVDOMZRYWHALIP-VHSXEESVSA-N 0 3 224.304 0.552 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1C[C@@H]1N)c1nccs1 ZINC000424178592 387889630 /nfs/dbraw/zinc/88/96/30/387889630.db2.gz XDFTXXWBLOZAHG-RNJXMRFFSA-N 0 3 225.317 0.710 20 0 BCADHN CCN(CC)CC(=O)NC[C@H]1CCCN1C ZINC000194692549 387890615 /nfs/dbraw/zinc/89/06/15/387890615.db2.gz BWUUYXNDIQKHTF-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000158088935 387891609 /nfs/dbraw/zinc/89/16/09/387891609.db2.gz XNTGKWUKGFIZER-DTWKUNHWSA-N 0 3 216.325 0.637 20 0 BCADHN COC[C@H](CCO)NCc1nc(C)ccc1O ZINC000219127267 387891962 /nfs/dbraw/zinc/89/19/62/387891962.db2.gz ZSPFKHSFSDHRLO-JTQLQIEISA-N 0 3 240.303 0.583 20 0 BCADHN COC[C@]1(C)CCN(C(=O)/C=C/CN(C)C)C1 ZINC000493226189 533220018 /nfs/dbraw/zinc/22/00/18/533220018.db2.gz GCTOKROITHEFOP-URWSZGRFSA-N 0 3 240.347 0.989 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCC[C@@H](O)[C@@H]1C)N(C)C ZINC000452708919 387893305 /nfs/dbraw/zinc/89/33/05/387893305.db2.gz BJAYAEUKZZPLLV-TUAOUCFPSA-N 0 3 242.363 0.944 20 0 BCADHN CCOCC[C@H](O)CN(C)[C@H]1CCOC1 ZINC000444624825 387893532 /nfs/dbraw/zinc/89/35/32/387893532.db2.gz GDQZYJWCSFPZQN-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCC[C@H](O)[C@H]1C)N(C)C ZINC000452708921 387893735 /nfs/dbraw/zinc/89/37/35/387893735.db2.gz BJAYAEUKZZPLLV-WOPDTQHZSA-N 0 3 242.363 0.944 20 0 BCADHN Cc1noc(CCCN2CCCN(C)CC2)n1 ZINC000645772753 387894173 /nfs/dbraw/zinc/89/41/73/387894173.db2.gz HTVVVMCNBIXCDF-UHFFFAOYSA-N 0 3 238.335 0.948 20 0 BCADHN Cc1cc(C[C@@H](C)NC(=O)[C@@H]2C[C@@H]2N)[nH]n1 ZINC000424183321 387897402 /nfs/dbraw/zinc/89/74/02/387897402.db2.gz VIIGJMNWHRHJHP-DRTBCBBWSA-N 0 3 222.292 0.113 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)[C@@H]1C[C@@H]1N ZINC000424182691 387898354 /nfs/dbraw/zinc/89/83/54/387898354.db2.gz UNYLYZWNERLOSU-BGZDPUMWSA-N 0 3 228.292 0.038 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCCNC(C)=O ZINC000151740951 387877974 /nfs/dbraw/zinc/87/79/74/387877974.db2.gz WGGLSJVFDSITPG-WPRPVWTQSA-N 0 3 229.324 0.002 20 0 BCADHN CCC[C@@H](N)C(=O)NC[C@@H]1CCNCC1(F)F ZINC000424175109 387878358 /nfs/dbraw/zinc/87/83/58/387878358.db2.gz NFCAADVXTULSNW-DTWKUNHWSA-N 0 3 249.305 0.475 20 0 BCADHN CN(C)CCN(C)C(=O)C1(O)CCCCC1 ZINC000444642862 387898698 /nfs/dbraw/zinc/89/86/98/387898698.db2.gz UXIJDOZNMMWUNM-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN COCCN(C)CCCNC(=O)c1cn[nH]c1 ZINC000194583574 387885902 /nfs/dbraw/zinc/88/59/02/387885902.db2.gz CYQJTTPFIKZIKE-UHFFFAOYSA-N 0 3 240.307 0.108 20 0 BCADHN CC(C)[C@@H](O)C1(CNC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424176851 387886970 /nfs/dbraw/zinc/88/69/70/387886970.db2.gz YTDPHJRYTGLJAY-KXUCPTDWSA-N 0 3 226.320 0.247 20 0 BCADHN CCOC(=O)C[C@@H](C)CNC(=O)[C@@H](C)N ZINC000158065107 387888948 /nfs/dbraw/zinc/88/89/48/387888948.db2.gz BVODGHFAGFXQMQ-HTQZYQBOSA-N 0 3 216.281 0.039 20 0 BCADHN CN(CC(F)F)C(=O)C[C@@H]1CNCCO1 ZINC000158026670 387889302 /nfs/dbraw/zinc/88/93/02/387889302.db2.gz PZNCVNJEJOGJCV-SSDOTTSWSA-N 0 3 222.235 0.088 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000533016640 387918326 /nfs/dbraw/zinc/91/83/26/387918326.db2.gz JIFNPHMCXXQFOB-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN CCCC(=O)NC1CCN(CCCO)CC1 ZINC000586045085 387918684 /nfs/dbraw/zinc/91/86/84/387918684.db2.gz ROJMVXSTOFAAJS-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN CC(C)[C@H]1CCCN(CCNS(C)(=O)=O)C1 ZINC000444750337 387919355 /nfs/dbraw/zinc/91/93/55/387919355.db2.gz BDHJLJSYWBPHAU-NSHDSACASA-N 0 3 248.392 0.904 20 0 BCADHN OC[C@@H]1CCCCN1C[C@H](O)CC1(O)CCC1 ZINC000528349619 387905278 /nfs/dbraw/zinc/90/52/78/387905278.db2.gz IMVXNPGHALVFQU-NWDGAFQWSA-N 0 3 243.347 0.499 20 0 BCADHN CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000236817345 387907987 /nfs/dbraw/zinc/90/79/87/387907987.db2.gz FPRMZOOGAXQMNM-NXEZZACHSA-N 0 3 241.335 0.097 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCC[C@@H](C)F ZINC000423132637 387910384 /nfs/dbraw/zinc/91/03/84/387910384.db2.gz JPBORHQTHXSFQI-KXUCPTDWSA-N 0 3 232.299 0.618 20 0 BCADHN CCOCC[C@H](O)CN1C[C@H](OC)[C@@H](OC)C1 ZINC000444690279 387910564 /nfs/dbraw/zinc/91/05/64/387910564.db2.gz JKHYNQFWEQFHRN-SRVKXCTJSA-N 0 3 247.335 0.120 20 0 BCADHN CCCCOCCNC(=O)[C@H]1NCC1(C)C ZINC000645786659 387910744 /nfs/dbraw/zinc/91/07/44/387910744.db2.gz OPVPHGMKBTYVIL-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN O[C@@H]1CN(CCCC2CCCC2)C[C@H]1O ZINC000444697707 387913874 /nfs/dbraw/zinc/91/38/74/387913874.db2.gz BTGQMGDREKTMOZ-VXGBXAGGSA-N 0 3 213.321 0.994 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(Cl)c(=O)n(C)c1 ZINC000236950580 387914455 /nfs/dbraw/zinc/91/44/55/387914455.db2.gz VPHBOVIAGFZMOG-QMMMGPOBSA-N 0 3 243.694 0.715 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)[C@@H](N)[C@H](C)CC ZINC000236960777 387914543 /nfs/dbraw/zinc/91/45/43/387914543.db2.gz ZSLKRMMPPXSNKI-BBBLOLIVSA-N 0 3 244.335 0.675 20 0 BCADHN CC(C)OC[C@H](C)N[C@H]1CCC(=O)N(C)C1=O ZINC000424212793 387931409 /nfs/dbraw/zinc/93/14/09/387931409.db2.gz SLFAKUIIPBYQLG-UWVGGRQHSA-N 0 3 242.319 0.537 20 0 BCADHN O=C(CCOC1CNC1)N[C@@H]1C[C@H]1C1CCC1 ZINC000424215105 387932477 /nfs/dbraw/zinc/93/24/77/387932477.db2.gz DYLUEVIOOJCQKG-NWDGAFQWSA-N 0 3 238.331 0.670 20 0 BCADHN C[C@H]1CS(=O)(=O)C[C@H]1N[C@H]1CCO[C@H]1C ZINC000329208940 387933145 /nfs/dbraw/zinc/93/31/45/387933145.db2.gz YEKWMVMNDZYAGP-AATLWQCWSA-N 0 3 233.333 0.187 20 0 BCADHN CC[C@](C)(CNCC(=O)N(C)C)OC ZINC000322609097 387937385 /nfs/dbraw/zinc/93/73/85/387937385.db2.gz KGRZMKYEGPJUEE-SNVBAGLBSA-N 0 3 202.298 0.479 20 0 BCADHN COC[C@H](C)CN1CCN2C(=O)CC[C@@H]2C1 ZINC000527108106 387934084 /nfs/dbraw/zinc/93/40/84/387934084.db2.gz NJSYFHFWUHBHIW-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@@H]1C[C@H]1C1CCC1 ZINC000424218578 387935363 /nfs/dbraw/zinc/93/53/63/387935363.db2.gz VCOWGYJAKPWKIE-GRYCIOLGSA-N 0 3 238.331 0.670 20 0 BCADHN CCCN(C)CC(=O)N(C)CC1(CO)CC1 ZINC000438485016 387936644 /nfs/dbraw/zinc/93/66/44/387936644.db2.gz CIJHHYORLCXKJO-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)[C@H]1CCC[C@H](F)C1 ZINC000424196538 387921841 /nfs/dbraw/zinc/92/18/41/387921841.db2.gz MZRCUZXECHTPRO-DCAQKATOSA-N 0 3 244.310 0.619 20 0 BCADHN COC(=O)c1cccc(CNC(=O)C2(N)CC2)c1 ZINC000237257652 387924477 /nfs/dbraw/zinc/92/44/77/387924477.db2.gz LCKRODTYHWLBPV-UHFFFAOYSA-N 0 3 248.282 0.581 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000237201860 387925063 /nfs/dbraw/zinc/92/50/63/387925063.db2.gz IKZSCZGDRUHWMH-BDAKNGLRSA-N 0 3 230.308 0.428 20 0 BCADHN CNCC(=O)NCc1ccc(Cl)nc1 ZINC000237240425 387925125 /nfs/dbraw/zinc/92/51/25/387925125.db2.gz PBJKQFWBALJLAF-UHFFFAOYSA-N 0 3 213.668 0.571 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@@H](N)C(C)(C)C ZINC000237201815 387925456 /nfs/dbraw/zinc/92/54/56/387925456.db2.gz YFRLKRPQMYQBHW-VXNVDRBHSA-N 0 3 230.308 0.428 20 0 BCADHN COCCCn1nccc1CN[C@@H]1CC[C@H]1O ZINC000424203154 387928387 /nfs/dbraw/zinc/92/83/87/387928387.db2.gz QTCMOWJNSPQXBX-VXGBXAGGSA-N 0 3 239.319 0.533 20 0 BCADHN CC[C@H](C)NC(=O)CCN1CCN(CC)CC1 ZINC000243342132 387939303 /nfs/dbraw/zinc/93/93/03/387939303.db2.gz LTMLMKVUWCTCJA-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN COC(=O)[C@H]1CCN(CCc2cn[nH]c2)[C@H]1C ZINC000459426057 387939457 /nfs/dbraw/zinc/93/94/57/387939457.db2.gz HZOWPTORNZMPEV-ONGXEEELSA-N 0 3 237.303 0.836 20 0 BCADHN CC[C@H]1[C@H](CO)CCN1C(=O)CN(CC)CC ZINC000452938392 387941386 /nfs/dbraw/zinc/94/13/86/387941386.db2.gz FLVYSRLQCJCRBM-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CC[C@@H](N2CCCC2)C1 ZINC000245392913 387943824 /nfs/dbraw/zinc/94/38/24/387943824.db2.gz BYUZYEXNSIIJGL-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN CC[C@@](C)(CN[C@@H]1CCS(=O)(=O)C1)OC ZINC000322622860 387945327 /nfs/dbraw/zinc/94/53/27/387945327.db2.gz OEMCTIQAYZDHGG-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN CC[C@](C)(CN[C@@H]1CCS(=O)(=O)C1)OC ZINC000322622857 387945430 /nfs/dbraw/zinc/94/54/30/387945430.db2.gz OEMCTIQAYZDHGG-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CO1 ZINC000452976211 387949097 /nfs/dbraw/zinc/94/90/97/387949097.db2.gz OAJGRVJDPMNSKE-WRWGMCAJSA-N 0 3 238.331 0.574 20 0 BCADHN COCCNC(=O)NCC1(N(C)C)CCC1 ZINC000445557472 387950942 /nfs/dbraw/zinc/95/09/42/387950942.db2.gz MBOXTRIROADGTE-UHFFFAOYSA-N 0 3 229.324 0.416 20 0 BCADHN CN(CCC[C@@H]1CCOC1)[C@H]1CCN(C)C1=O ZINC000645807235 387951411 /nfs/dbraw/zinc/95/14/11/387951411.db2.gz ONDAYCZPEUYYGG-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)SCCN1CC[C@@H](CO)[C@H](O)C1 ZINC000514688346 387951602 /nfs/dbraw/zinc/95/16/02/387951602.db2.gz HWDVJFIFQQGEGD-WDEREUQCSA-N 0 3 233.377 0.803 20 0 BCADHN COC[C@H](O)CN1CCS[C@H]2COCC[C@H]21 ZINC000245547958 387959004 /nfs/dbraw/zinc/95/90/04/387959004.db2.gz XANXWGQIYWMOEE-MXWKQRLJSA-N 0 3 247.360 0.200 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1cscn1 ZINC000645810840 387960408 /nfs/dbraw/zinc/96/04/08/387960408.db2.gz BAOOOEDIHKEGRK-MRVPVSSYSA-N 0 3 225.317 0.757 20 0 BCADHN C[C@H](O)CCN1CCC[C@@H]1C(=O)NC1CC1 ZINC000438990301 387972452 /nfs/dbraw/zinc/97/24/52/387972452.db2.gz IHGVDLXFOHTZRL-GXSJLCMTSA-N 0 3 226.320 0.500 20 0 BCADHN CN(CCc1ccncc1)C(=O)COC1CNC1 ZINC000438925880 387963355 /nfs/dbraw/zinc/96/33/55/387963355.db2.gz MFASEJNPSAXWRX-UHFFFAOYSA-N 0 3 249.314 0.071 20 0 BCADHN CCCN(C)CC(=O)N(CC)C1COC1 ZINC000453021963 387963643 /nfs/dbraw/zinc/96/36/43/387963643.db2.gz ZYUOGIMXXSRWDM-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN CC[C@@H](OC)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453022060 387963704 /nfs/dbraw/zinc/96/37/04/387963704.db2.gz CHLNGQNKGABEBG-HBNTYKKESA-N 0 3 226.320 0.574 20 0 BCADHN CC[C@H](CN1CCN(C[C@@H](C)O)C[C@@H]1C)OC ZINC000419264420 387966759 /nfs/dbraw/zinc/96/67/59/387966759.db2.gz DPZMIRHASCLTTG-YNEHKIRRSA-N 0 3 244.379 0.798 20 0 BCADHN O=C1NCCCC[C@@H]1N1CC[C@@]2(CCOC2)C1 ZINC000245632620 387967120 /nfs/dbraw/zinc/96/71/20/387967120.db2.gz QOLMDHQGPDXEMX-WCQYABFASA-N 0 3 238.331 0.768 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453035035 387967603 /nfs/dbraw/zinc/96/76/03/387967603.db2.gz LVXPRLFXUZIHPW-NNYUYHANSA-N 0 3 238.331 0.574 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)C[C@@H]3CCCO3)C[C@@H]21 ZINC000453045734 387971231 /nfs/dbraw/zinc/97/12/31/387971231.db2.gz ZRPJKIJEWVZFSA-WOPDTQHZSA-N 0 3 238.331 0.718 20 0 BCADHN CCOC(=O)CC[C@H](O)CN1CC[C@@H]1COC ZINC000453004974 387957008 /nfs/dbraw/zinc/95/70/08/387957008.db2.gz AODSWJKVSJMBOW-MNOVXSKESA-N 0 3 245.319 0.411 20 0 BCADHN CCOC(=O)CC[C@H](O)CN1CC[C@H]1COC ZINC000453004977 387957064 /nfs/dbraw/zinc/95/70/64/387957064.db2.gz AODSWJKVSJMBOW-QWRGUYRKSA-N 0 3 245.319 0.411 20 0 BCADHN CCOC(=O)CC[C@@H](O)CN1CC[C@H]1COC ZINC000453004978 387957665 /nfs/dbraw/zinc/95/76/65/387957665.db2.gz AODSWJKVSJMBOW-WDEREUQCSA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)[C@@H]1CCN(CCCO)C[C@H]1C ZINC000249160313 135035823 /nfs/dbraw/zinc/03/58/23/135035823.db2.gz ZRGIONZFSMKEGC-NXEZZACHSA-N 0 3 215.293 0.500 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H](CO)C1 ZINC000225977471 387973271 /nfs/dbraw/zinc/97/32/71/387973271.db2.gz HZNDHMGCNSIZJT-VHSXEESVSA-N 0 3 228.336 0.604 20 0 BCADHN CCCNC(=O)CN(CCO)[C@@H]1CC[C@@H](C)C1 ZINC000438996954 387974680 /nfs/dbraw/zinc/97/46/80/387974680.db2.gz GHOHNWFFMNNBKT-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1n[nH]cc1C(=O)NCCNc1ccncc1 ZINC000439041718 387975680 /nfs/dbraw/zinc/97/56/80/387975680.db2.gz RCSUFGZYWPJYGF-UHFFFAOYSA-N 0 3 245.286 0.377 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@H]2C[C@H](C)CCN2)C1 ZINC000423201357 387987389 /nfs/dbraw/zinc/98/73/89/387987389.db2.gz IIBWRBVGXUQREY-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CC[C@@H](O)[C@H](C)C1 ZINC000251653483 135073521 /nfs/dbraw/zinc/07/35/21/135073521.db2.gz JPDRZEJAFUAOCJ-KXUCPTDWSA-N 0 3 214.309 0.166 20 0 BCADHN CCNC(=O)CN(C)[C@H]1CC[C@H](O)CC1 ZINC000439276599 387989002 /nfs/dbraw/zinc/98/90/02/387989002.db2.gz QVYGCWQJKRNQAN-MGCOHNPYSA-N 0 3 214.309 0.358 20 0 BCADHN CC(C)CNC(=O)CN(C)[C@H]1CC[C@H](O)CC1 ZINC000439287540 387991859 /nfs/dbraw/zinc/99/18/59/387991859.db2.gz QTDVXUOEOONYCT-HAQNSBGRSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)OC[C@H](O)CN1CCC[C@](C)(O)C1 ZINC000245922795 387992734 /nfs/dbraw/zinc/99/27/34/387992734.db2.gz OBPFIUZOAPDMJZ-NEPJUHHUSA-N 0 3 231.336 0.619 20 0 BCADHN C[C@H](N(C)CC(=O)N1CCNC1=O)C(C)(C)C ZINC000045769515 387993860 /nfs/dbraw/zinc/99/38/60/387993860.db2.gz GOOSWSBRMMNREK-VIFPVBQESA-N 0 3 241.335 0.905 20 0 BCADHN CNC(=O)CCN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446073147 387994649 /nfs/dbraw/zinc/99/46/49/387994649.db2.gz RYPYTMQUCZTODT-IVZWLZJFSA-N 0 3 214.309 0.620 20 0 BCADHN CNC(=O)CCN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446073146 387994879 /nfs/dbraw/zinc/99/48/79/387994879.db2.gz RYPYTMQUCZTODT-GUBZILKMSA-N 0 3 214.309 0.620 20 0 BCADHN COCCN(C)CCNC(=O)[C@H]1CCCS1 ZINC000439176168 387982884 /nfs/dbraw/zinc/98/28/84/387982884.db2.gz GWMGBRQADDEHRO-SNVBAGLBSA-N 0 3 246.376 0.576 20 0 BCADHN CN(CCNC(=O)[C@]1(C)CCCO1)C1CC1 ZINC000445999863 387983991 /nfs/dbraw/zinc/98/39/91/387983991.db2.gz YXDUWYUNXMZKIC-LBPRGKRZSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CCN(CC(=O)NC(N)=O)C[C@H]1C ZINC000245840156 387985253 /nfs/dbraw/zinc/98/52/53/387985253.db2.gz BEBHKPUBZYXRFI-HTQZYQBOSA-N 0 3 213.281 0.159 20 0 BCADHN CNC(=O)NC(=O)CN1CC[C@@H](C)[C@H](C)C1 ZINC000245847636 387985901 /nfs/dbraw/zinc/98/59/01/387985901.db2.gz CKCHEGMQHSTPTD-RKDXNWHRSA-N 0 3 227.308 0.420 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000245867539 387987099 /nfs/dbraw/zinc/98/70/99/387987099.db2.gz GJOHLEKSPNFYNN-IWSPIJDZSA-N 0 3 227.308 0.548 20 0 BCADHN C[C@]1(O)CCCN([C@H]2CCCCNC2=O)C1 ZINC000245954397 387996864 /nfs/dbraw/zinc/99/68/64/387996864.db2.gz SYFKEKIBFLHGPY-JQWIXIFHSA-N 0 3 226.320 0.502 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245954526 387997034 /nfs/dbraw/zinc/99/70/34/387997034.db2.gz LRLSGTIADMJPOK-AXTSPUMRSA-N 0 3 224.304 0.407 20 0 BCADHN C[C@H](CN1CCOCC1)N(C)C[C@H]1CCCO1 ZINC000245969894 387997989 /nfs/dbraw/zinc/99/79/89/387997989.db2.gz FLBGEBBRLHXMOA-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN CCN(CCC[C@H]1CCOC1)CC(N)=O ZINC000645887645 387999248 /nfs/dbraw/zinc/99/92/48/387999248.db2.gz MWIGEDFIKGYLQQ-JTQLQIEISA-N 0 3 214.309 0.610 20 0 BCADHN OC[C@H]1CCN(CC2=CCCC2)C[C@@H]1O ZINC000645887533 388000676 /nfs/dbraw/zinc/00/06/76/388000676.db2.gz MCCBRWPQPJPACZ-NEPJUHHUSA-N 0 3 211.305 0.772 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000246001134 388001085 /nfs/dbraw/zinc/00/10/85/388001085.db2.gz JVMJVPXJGJSHHU-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN Cn1cc(CN[C@@H]2CCOC(C)(C)C2)nn1 ZINC000169016465 388006180 /nfs/dbraw/zinc/00/61/80/388006180.db2.gz QVJGTLRTOMLCSV-SECBINFHSA-N 0 3 224.308 0.862 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H](O)C1 ZINC000439523774 388006989 /nfs/dbraw/zinc/00/69/89/388006989.db2.gz NTWDFWKHWJQGNK-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN CO[C@@H](C)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000108328510 388024328 /nfs/dbraw/zinc/02/43/28/388024328.db2.gz QORYBRPAEAMCCP-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(N)(=O)=O ZINC000246128353 388012678 /nfs/dbraw/zinc/01/26/78/388012678.db2.gz OQZGVEVRAHHXQL-BBBLOLIVSA-N 0 3 249.380 0.146 20 0 BCADHN CC[C@H](C)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246137390 388013749 /nfs/dbraw/zinc/01/37/49/388013749.db2.gz AORGPDSTKVZEBW-VHSXEESVSA-N 0 3 234.365 0.656 20 0 BCADHN O=C(NCCOCC1CC1)[C@H]1C[C@H](F)CN1 ZINC000446327408 388014660 /nfs/dbraw/zinc/01/46/60/388014660.db2.gz VUCMYWPSFIUKAY-VHSXEESVSA-N 0 3 230.283 0.229 20 0 BCADHN O=C(NC[C@H]1CCCOC1)[C@H]1C[C@H](F)CN1 ZINC000446383653 388016718 /nfs/dbraw/zinc/01/67/18/388016718.db2.gz YRORBOVXOKYSLS-KXUCPTDWSA-N 0 3 230.283 0.229 20 0 BCADHN O=C(c1cccc2c1OCO2)N1CCCNCC1 ZINC000082239091 388017046 /nfs/dbraw/zinc/01/70/46/388017046.db2.gz XBUWKLIWLUFKTO-UHFFFAOYSA-N 0 3 248.282 0.851 20 0 BCADHN C[C@@H](C[C@@H]1CCCO1)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000446382891 388017129 /nfs/dbraw/zinc/01/71/29/388017129.db2.gz PSNNVBZFRYQLIM-XWLWVQCSSA-N 0 3 244.310 0.760 20 0 BCADHN CCOC[C@@H](O)CN(C)CCOCC1CC1 ZINC000087400059 135128781 /nfs/dbraw/zinc/12/87/81/135128781.db2.gz GTVXKPWAAQUQEA-LBPRGKRZSA-N 0 3 231.336 0.742 20 0 BCADHN O=C(Cn1cccn1)N1CC[C@H](N2CCCC2)C1 ZINC000082267985 388020257 /nfs/dbraw/zinc/02/02/57/388020257.db2.gz GOGSWIKHGHYTSM-LBPRGKRZSA-N 0 3 248.330 0.580 20 0 BCADHN O=C(c1ccc2n[nH]cc2c1)N1CCCNCC1 ZINC000082271432 388021364 /nfs/dbraw/zinc/02/13/64/388021364.db2.gz NWDHOONGZGBQJD-UHFFFAOYSA-N 0 3 244.298 0.998 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCC1(C)COC1 ZINC000087197816 135112013 /nfs/dbraw/zinc/11/20/13/135112013.db2.gz MLSDEEGAQWHKBD-LLVKDONJSA-N 0 3 214.309 0.657 20 0 BCADHN CCCN(C)CC(=O)NC[C@@](C)(O)C1CC1 ZINC000440237049 388037427 /nfs/dbraw/zinc/03/74/27/388037427.db2.gz NVRFGMLNHAGHKN-GFCCVEGCSA-N 0 3 228.336 0.605 20 0 BCADHN CNC(=O)[C@H](C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082944282 388043009 /nfs/dbraw/zinc/04/30/09/388043009.db2.gz GCKIBPPYFUTSTA-QEYWKRMJSA-N 0 3 226.320 0.524 20 0 BCADHN O=C1CC[C@@H]2CN(CCO)CC[C@H]2N1C1CC1 ZINC000246280494 388027398 /nfs/dbraw/zinc/02/73/98/388027398.db2.gz NMFAXDOOQSTVTP-ZYHUDNBSSA-N 0 3 238.331 0.454 20 0 BCADHN CN1CCC(NC(=O)NC[C@H]2CCCO2)CC1 ZINC000082339925 388030381 /nfs/dbraw/zinc/03/03/81/388030381.db2.gz IWLLGVUQRPGCPO-LLVKDONJSA-N 0 3 241.335 0.559 20 0 BCADHN COCC[C@]1(NCc2cncn2C)CCOC1 ZINC000447063273 388051509 /nfs/dbraw/zinc/05/15/09/388051509.db2.gz KHLUFKFLAVFOAO-LBPRGKRZSA-N 0 3 239.319 0.705 20 0 BCADHN NC1(C(=O)Nc2ccc3n[nH]cc3c2)CC1 ZINC000083834576 388063035 /nfs/dbraw/zinc/06/30/35/388063035.db2.gz ZYHPPRMHXJKAGU-UHFFFAOYSA-N 0 3 216.244 0.993 20 0 BCADHN Cc1c([C@H](C)NC(=O)C2(N)CC2)cnn1C ZINC000083834503 388063100 /nfs/dbraw/zinc/06/31/00/388063100.db2.gz MWZRJXRUVCLWBW-ZETCQYMHSA-N 0 3 222.292 0.397 20 0 BCADHN NC1(C(=O)Nc2ccc3c[nH]nc3c2)CC1 ZINC000083834640 388063566 /nfs/dbraw/zinc/06/35/66/388063566.db2.gz VUXUOGOZQQESBX-UHFFFAOYSA-N 0 3 216.244 0.993 20 0 BCADHN CN(C(=O)C1(N)CC1)[C@H]1CCSC1 ZINC000083834125 388063981 /nfs/dbraw/zinc/06/39/81/388063981.db2.gz SQKMLLDHWWLJIC-ZETCQYMHSA-N 0 3 200.307 0.442 20 0 BCADHN Cc1ccccc1[C@H]1CN(C(=O)CN)CCO1 ZINC000083889169 388065134 /nfs/dbraw/zinc/06/51/34/388065134.db2.gz AITFDDQCFMCHAT-GFCCVEGCSA-N 0 3 234.299 0.854 20 0 BCADHN Cc1ccc2[nH]c(CNC(=O)[C@@H](C)N)nc2c1 ZINC000083909477 388066308 /nfs/dbraw/zinc/06/63/08/388066308.db2.gz RPPMMHYWANGTHW-MRVPVSSYSA-N 0 3 232.287 0.835 20 0 BCADHN Cc1ccc2nc(CNC(=O)[C@@H](C)N)[nH]c2c1 ZINC000083909477 388066310 /nfs/dbraw/zinc/06/63/10/388066310.db2.gz RPPMMHYWANGTHW-MRVPVSSYSA-N 0 3 232.287 0.835 20 0 BCADHN C[C@@H](N)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000083911581 388066492 /nfs/dbraw/zinc/06/64/92/388066492.db2.gz FZSPWLIAUPGQKQ-SECBINFHSA-N 0 3 236.319 0.473 20 0 BCADHN Cc1cc(C2CCN(C(=O)[C@@H](C)N)CC2)[nH]n1 ZINC000083932014 388067105 /nfs/dbraw/zinc/06/71/05/388067105.db2.gz AYARPECRTIOAQU-SECBINFHSA-N 0 3 236.319 0.771 20 0 BCADHN CCn1ncnc1CNC1CCN(C)CC1 ZINC000083977562 388068256 /nfs/dbraw/zinc/06/82/56/388068256.db2.gz VDXXWSCRJCHAQS-UHFFFAOYSA-N 0 3 223.324 0.482 20 0 BCADHN COCCO[C@H]1C[C@@H](CO)CN(CCCF)C1 ZINC000447399403 388068739 /nfs/dbraw/zinc/06/87/39/388068739.db2.gz XNYSNJZFUXDEMF-NEPJUHHUSA-N 0 3 249.326 0.692 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000084091818 388072237 /nfs/dbraw/zinc/07/22/37/388072237.db2.gz ZBSXMVVUGPHVNG-BXKDBHETSA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000084200633 388074285 /nfs/dbraw/zinc/07/42/85/388074285.db2.gz VZFYAYWGLGUPEO-AXFHLTTASA-N 0 3 226.320 0.894 20 0 BCADHN COC[C@H](C)N[C@H]1C[C@H]2CCCCN2C1=O ZINC000453424358 388080754 /nfs/dbraw/zinc/08/07/54/388080754.db2.gz GJROUFKEJAIYQI-AXFHLTTASA-N 0 3 226.320 0.764 20 0 BCADHN CC(C)[C@@H](C(=O)NCCC[C@H](C)O)N(C)C ZINC000447621006 388083491 /nfs/dbraw/zinc/08/34/91/388083491.db2.gz XKLPVDYWXCHODK-QWRGUYRKSA-N 0 3 230.352 0.850 20 0 BCADHN CC(C)OCCCN1CCC[C@](O)(CO)C1 ZINC000453458644 388084146 /nfs/dbraw/zinc/08/41/46/388084146.db2.gz KHXFZOCZQATVQX-GFCCVEGCSA-N 0 3 231.336 0.621 20 0 BCADHN O=S(=O)([N-]C1C[NH2+]C1)c1ccc(F)cc1F ZINC000085256411 388085872 /nfs/dbraw/zinc/08/58/72/388085872.db2.gz JAVAHQLDEDATKM-UHFFFAOYSA-N 0 3 248.254 0.215 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H](O)C1 ZINC000447659273 388086146 /nfs/dbraw/zinc/08/61/46/388086146.db2.gz CKITXPJTWYMZBR-SRVKXCTJSA-N 0 3 240.347 0.843 20 0 BCADHN NC(=O)[C@H]1CCCN1CCC[C@@H]1CCOC1 ZINC000645925296 388086455 /nfs/dbraw/zinc/08/64/55/388086455.db2.gz IJELLXWZLCVWFE-GHMZBOCLSA-N 0 3 226.320 0.753 20 0 BCADHN CC(C)NC(=O)CN(C)[C@@H]1CCCC[C@@H]1O ZINC000160768884 388087469 /nfs/dbraw/zinc/08/74/69/388087469.db2.gz LPDJZPAMECFYPZ-MNOVXSKESA-N 0 3 228.336 0.746 20 0 BCADHN CC[C@@](C)(CNCC(=O)NC(C)C)OC ZINC000322905637 388087632 /nfs/dbraw/zinc/08/76/32/388087632.db2.gz HOUFQHMUJJHEKJ-NSHDSACASA-N 0 3 216.325 0.916 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@@]2(C)CCC(=O)N2)n1 ZINC000453583731 388087670 /nfs/dbraw/zinc/08/76/70/388087670.db2.gz DDHUVJALTRTHMB-CYBMUJFWSA-N 0 3 249.314 0.854 20 0 BCADHN CC[C@@]1(CO)CCCN([C@H]2COC[C@H]2O)C1 ZINC000463197721 388088813 /nfs/dbraw/zinc/08/88/13/388088813.db2.gz BLKUMDBFOLQPCP-QJPTWQEYSA-N 0 3 229.320 0.231 20 0 BCADHN CC[C@H](C)[C@@H](C)NC(=O)C[C@@H]1CNCCO1 ZINC000085619830 388093173 /nfs/dbraw/zinc/09/31/73/388093173.db2.gz FBBWADRDHSYVRA-HBNTYKKESA-N 0 3 228.336 0.916 20 0 BCADHN C=Cn1cc(CNCCNc2cnccn2)cn1 ZINC000447824233 388094990 /nfs/dbraw/zinc/09/49/90/388094990.db2.gz YFWHCORYHQPGLK-UHFFFAOYSA-N 0 3 244.302 0.975 20 0 BCADHN CC[C@](C)(CN[C@@H]1CCCS(=O)(=O)C1)OC ZINC000322912374 388096223 /nfs/dbraw/zinc/09/62/23/388096223.db2.gz IYFDXIHZGVUSNB-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2ccncc2)[C@H](C)CN1 ZINC000086468109 388102022 /nfs/dbraw/zinc/10/20/22/388102022.db2.gz XDJIPDFVNGVYNX-GHMZBOCLSA-N 0 3 233.315 0.833 20 0 BCADHN C[C@H](CNC(=O)C(=O)c1ccc[nH]1)N(C)C1CC1 ZINC000454157263 388102201 /nfs/dbraw/zinc/10/22/01/388102201.db2.gz CPGMXBCHIPVGPZ-SECBINFHSA-N 0 3 249.314 0.796 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@@H](O)[C@H]1C ZINC000645925700 388103169 /nfs/dbraw/zinc/10/31/69/388103169.db2.gz LMGWTQITJLZHIS-NXEZZACHSA-N 0 3 229.324 0.149 20 0 BCADHN CN(CCNC(=O)CC1(O)CCC1)C1CC1 ZINC000448791858 388110783 /nfs/dbraw/zinc/11/07/83/388110783.db2.gz AYJNBDDACVXLLK-UHFFFAOYSA-N 0 3 226.320 0.502 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)Nc2nncs2)C1 ZINC000170874751 388113086 /nfs/dbraw/zinc/11/30/86/388113086.db2.gz LMFQOZOIEXITLV-SSDOTTSWSA-N 0 3 241.320 0.706 20 0 BCADHN C[C@@H](CNC(=O)c1nccnc1N)N1CCCC1 ZINC000057308235 388113512 /nfs/dbraw/zinc/11/35/12/388113512.db2.gz CPYWBLQAPTYQHG-VIFPVBQESA-N 0 3 249.318 0.273 20 0 BCADHN CCOCCNC(=O)NC[C@H](C)N(C)C ZINC000454314320 388113789 /nfs/dbraw/zinc/11/37/89/388113789.db2.gz IDDTUOJHCBYHJY-VIFPVBQESA-N 0 3 217.313 0.272 20 0 BCADHN COC(=O)CC1(CN2CC[C@H](O)C2)CC1 ZINC000440508947 388046960 /nfs/dbraw/zinc/04/69/60/388046960.db2.gz NOYXMMGAYXHWRV-VIFPVBQESA-N 0 3 213.277 0.396 20 0 BCADHN COCC[C@]1(NCc2cncnc2)CCOC1 ZINC000447062917 388050354 /nfs/dbraw/zinc/05/03/54/388050354.db2.gz GJLZWANYDOQLAQ-LBPRGKRZSA-N 0 3 237.303 0.762 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1Cc1ccn(C)c(=O)c1 ZINC000646142425 388155828 /nfs/dbraw/zinc/15/58/28/388155828.db2.gz LCJWTCLBCNUGGD-ZYHUDNBSSA-N 0 3 236.315 0.731 20 0 BCADHN C[C@@H](CNC(=O)N1CCO[C@@H](C)[C@@H]1C)N(C)C ZINC000455428511 388159416 /nfs/dbraw/zinc/15/94/16/388159416.db2.gz HZIMUQFIFZQDFZ-DCAQKATOSA-N 0 3 243.351 0.755 20 0 BCADHN C[C@H]1COCC[C@H]1C(=O)NCCN1CCCC1 ZINC000195333763 388160289 /nfs/dbraw/zinc/16/02/89/388160289.db2.gz ZQIKVNZQEZDFOF-NWDGAFQWSA-N 0 3 240.347 0.871 20 0 BCADHN COCCN(CCOC)CCSC ZINC000195335658 388160380 /nfs/dbraw/zinc/16/03/80/388160380.db2.gz QCOHGJNNYCPXPM-UHFFFAOYSA-N 0 3 207.339 0.944 20 0 BCADHN CC[C@H]1CN(C(=O)NC[C@H](C)N(C)C)CCO1 ZINC000455439722 388160405 /nfs/dbraw/zinc/16/04/05/388160405.db2.gz LCGIRRSEMPTBHF-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H](CNC(=O)N1CCC[C@@H](O)[C@@H]1C)N(C)C ZINC000455450969 388160652 /nfs/dbraw/zinc/16/06/52/388160652.db2.gz ZCIPUBAGUUHZDS-GARJFASQSA-N 0 3 243.351 0.491 20 0 BCADHN C/C=C/C[C@@H](CO)NC(=O)NC[C@H](C)N(C)C ZINC000455435742 388160701 /nfs/dbraw/zinc/16/07/01/388160701.db2.gz SXUYCDOWFZHYKD-PZIAFJOJSA-N 0 3 243.351 0.563 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@H]1NCC1(C)C ZINC000646193409 388162274 /nfs/dbraw/zinc/16/22/74/388162274.db2.gz BWWRIBZOFCQBEU-NXEZZACHSA-N 0 3 228.336 0.652 20 0 BCADHN Cc1nocc1CN1CC[C@H](CC(N)=O)C1 ZINC000646203828 388163976 /nfs/dbraw/zinc/16/39/76/388163976.db2.gz QPVDBTTVWNLBGW-SECBINFHSA-N 0 3 223.276 0.680 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000646209267 388164417 /nfs/dbraw/zinc/16/44/17/388164417.db2.gz CWWTXUBGOGJPDM-ZNSHCXBVSA-N 0 3 226.320 0.071 20 0 BCADHN CCc1occc1C(=O)N[C@@H](CO)CN(C)C ZINC000646209634 388164670 /nfs/dbraw/zinc/16/46/70/388164670.db2.gz NVISIOHJMITAAP-SECBINFHSA-N 0 3 240.303 0.494 20 0 BCADHN CC[C@@H](C)CC(=O)N[C@H](CO)CN(C)C ZINC000646208913 388164867 /nfs/dbraw/zinc/16/48/67/388164867.db2.gz NRCRKHABFASOJQ-ZJUUUORDSA-N 0 3 216.325 0.461 20 0 BCADHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)ns1 ZINC000646208797 388165564 /nfs/dbraw/zinc/16/55/64/388165564.db2.gz JATGNJARDRSKKY-MRVPVSSYSA-N 0 3 243.332 0.104 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@@H](C)NC1CC1 ZINC000449270249 388165604 /nfs/dbraw/zinc/16/56/04/388165604.db2.gz JJFRWFFEXMBFGL-JGVFFNPUSA-N 0 3 228.292 0.052 20 0 BCADHN COc1cc(C)ccc1CNC[C@H](O)CO ZINC000449271815 388165627 /nfs/dbraw/zinc/16/56/27/388165627.db2.gz UUBOOBISKBJNSX-NSHDSACASA-N 0 3 225.288 0.446 20 0 BCADHN CCCN[C@H](C)C(=O)N1CCNC(=O)[C@@H]1CC ZINC000449277763 388166828 /nfs/dbraw/zinc/16/68/28/388166828.db2.gz YIWWAKFTWCYRBW-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN O=C(CC1CCC1)N[C@H](CO)CN1CCCC1 ZINC000646221699 388167716 /nfs/dbraw/zinc/16/77/16/388167716.db2.gz LOIZQYBYPZELSF-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN CCCN[C@@H](C)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000449281156 388167750 /nfs/dbraw/zinc/16/77/50/388167750.db2.gz BTEXRUGYNTVFMW-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN COCCNCC(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000646228777 388168926 /nfs/dbraw/zinc/16/89/26/388168926.db2.gz NAFNWBSWCZOEKM-WDEREUQCSA-N 0 3 244.335 0.154 20 0 BCADHN CCn1nnc(C)c1CNCCN1CC=CCC1 ZINC000449302685 388169865 /nfs/dbraw/zinc/16/98/65/388169865.db2.gz VOJGYVXDIGRQAA-UHFFFAOYSA-N 0 3 249.362 0.958 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000646247459 388170229 /nfs/dbraw/zinc/17/02/29/388170229.db2.gz QNLIUMZUTKWMIE-KOLCDFICSA-N 0 3 248.330 0.381 20 0 BCADHN NC1(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)CCC1 ZINC000449310706 388171420 /nfs/dbraw/zinc/17/14/20/388171420.db2.gz IBIALLJFYGVMQA-HBNTYKKESA-N 0 3 238.331 0.942 20 0 BCADHN COc1nccc(CN2CCN3CCC2CC3)n1 ZINC000449325626 388173666 /nfs/dbraw/zinc/17/36/66/388173666.db2.gz OGNXMKIUCCISAN-UHFFFAOYSA-N 0 3 248.330 0.765 20 0 BCADHN Cc1ocnc1CNC(=O)[C@@H]1NCC1(C)C ZINC000646275145 388174679 /nfs/dbraw/zinc/17/46/79/388174679.db2.gz HMBWQIICAAYRGH-VIFPVBQESA-N 0 3 223.276 0.597 20 0 BCADHN COc1nccc(CNC[C@@H](CO)C2CC2)n1 ZINC000449339288 388175696 /nfs/dbraw/zinc/17/56/96/388175696.db2.gz UEIZYNKQINAVOE-JTQLQIEISA-N 0 3 237.303 0.593 20 0 BCADHN CC(C)N(C)CC(=O)N(C)[C@@H](C)C(C)(C)O ZINC000456091595 388176554 /nfs/dbraw/zinc/17/65/54/388176554.db2.gz IFNWKTJXJFVSKO-JTQLQIEISA-N 0 3 230.352 0.944 20 0 BCADHN CCC[C@H](C(=O)N[C@@H](CC)[C@@H](C)O)N(C)C ZINC000456272289 388188472 /nfs/dbraw/zinc/18/84/72/388188472.db2.gz VOYZTELMCYQTSI-OUAUKWLOSA-N 0 3 230.352 0.992 20 0 BCADHN CCCN(C)CC(=O)N(C)[C@H](C)C(C)(C)O ZINC000456100491 388177618 /nfs/dbraw/zinc/17/76/18/388177618.db2.gz NZTUYVRCZIFAFL-SNVBAGLBSA-N 0 3 230.352 0.946 20 0 BCADHN C[C@H]1CN(C(=O)Cc2cncnc2)[C@@H](C)CN1 ZINC000646298806 388178709 /nfs/dbraw/zinc/17/87/09/388178709.db2.gz RXOORUIXLAQTSD-UWVGGRQHSA-N 0 3 234.303 0.228 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456167297 388183395 /nfs/dbraw/zinc/18/33/95/388183395.db2.gz MTROYVWWDBTVRZ-HBNTYKKESA-N 0 3 226.320 0.166 20 0 BCADHN CO[C@@H]1CN(CC2=CCCOC2)C[C@@H]1OC ZINC000488530215 388184906 /nfs/dbraw/zinc/18/49/06/388184906.db2.gz JZSDVQZGINDESJ-TXEJJXNPSA-N 0 3 227.304 0.679 20 0 BCADHN CSC[C@H](O)CN1CC2(C1)CCOCC2 ZINC000488537962 388185351 /nfs/dbraw/zinc/18/53/51/388185351.db2.gz BUDFYAYEVRVNMX-SNVBAGLBSA-N 0 3 231.361 0.823 20 0 BCADHN C[C@@H]1C[C@@H]1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454424048 388117370 /nfs/dbraw/zinc/11/73/70/388117370.db2.gz DSJZJPXBIQZLAL-VPOLOUISSA-N 0 3 223.320 0.740 20 0 BCADHN COCC[C@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000454419323 388117517 /nfs/dbraw/zinc/11/75/17/388117517.db2.gz DYFYQOKMIUSFSN-UWVGGRQHSA-N 0 3 231.340 0.661 20 0 BCADHN COCCN(C)CCNC(=O)NCC[C@@H](C)F ZINC000454423959 388117525 /nfs/dbraw/zinc/11/75/25/388117525.db2.gz CFQUXQMMDIRPJH-SNVBAGLBSA-N 0 3 249.330 0.612 20 0 BCADHN CC[C@@H](O)CC(=O)NCCN(CC)C1CC1 ZINC000448896503 388118852 /nfs/dbraw/zinc/11/88/52/388118852.db2.gz NMQMZSRUDFIZJO-LLVKDONJSA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](C)O ZINC000456217095 388185854 /nfs/dbraw/zinc/18/58/54/388185854.db2.gz LUZIYOCUKWUHMV-VWYCJHECSA-N 0 3 230.352 0.848 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1CCCOC1)N(C)C ZINC000454519686 388121528 /nfs/dbraw/zinc/12/15/28/388121528.db2.gz BHZAUHQIXDUPLR-UWVGGRQHSA-N 0 3 229.324 0.415 20 0 BCADHN CSC[C@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000454531019 388121914 /nfs/dbraw/zinc/12/19/14/388121914.db2.gz GPQBQSRFLOGTGX-IUCAKERBSA-N 0 3 233.381 0.987 20 0 BCADHN CC(C(=O)N1CCCO[C@H](C)C1)S(C)(=O)=O ZINC000171260418 388123242 /nfs/dbraw/zinc/12/32/42/388123242.db2.gz KEKVJPADOBIKPV-BDAKNGLRSA-N 0 3 249.332 0.057 20 0 BCADHN CC[C@@H](O)CC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000448961050 388123680 /nfs/dbraw/zinc/12/36/80/388123680.db2.gz LTSXDSZLWMXANS-NWDGAFQWSA-N 0 3 240.347 0.843 20 0 BCADHN CCN(C)CCNC(=O)CC1(O)CCC1 ZINC000448974151 388124049 /nfs/dbraw/zinc/12/40/49/388124049.db2.gz AJWQKEQNEHNMAA-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN C[C@@H](CNC(=O)NCc1cccn1C)N(C)C ZINC000454597591 388124842 /nfs/dbraw/zinc/12/48/42/388124842.db2.gz OMUPVUIGZPBFMA-JTQLQIEISA-N 0 3 238.335 0.774 20 0 BCADHN CN(C)C[C@@]1(O)CCCN(C(=O)C2(C)CC2)C1 ZINC000646023404 388126405 /nfs/dbraw/zinc/12/64/05/388126405.db2.gz UPFSOUQKRPFOEE-ZDUSSCGKSA-N 0 3 240.347 0.702 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@H]1CCCO1 ZINC000646042154 388130880 /nfs/dbraw/zinc/13/08/80/388130880.db2.gz CJJPYMMLNUKPJI-OPRDCNLKSA-N 0 3 201.266 0.169 20 0 BCADHN CCN1CCC[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC000249609647 388131328 /nfs/dbraw/zinc/13/13/28/388131328.db2.gz CMCMHQZMMOBIAK-ONGXEEELSA-N 0 3 241.335 0.112 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1c[nH]cn1 ZINC000646046057 388131585 /nfs/dbraw/zinc/13/15/85/388131585.db2.gz CECNWOMXQBKDHI-MRVPVSSYSA-N 0 3 208.265 0.024 20 0 BCADHN CC(C)(N)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000646053826 388133304 /nfs/dbraw/zinc/13/33/04/388133304.db2.gz BDMIYALUEMSRKE-ZCFIWIBFSA-N 0 3 240.225 0.513 20 0 BCADHN CC(C)(N)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000646053825 388133624 /nfs/dbraw/zinc/13/36/24/388133624.db2.gz BDMIYALUEMSRKE-LURJTMIESA-N 0 3 240.225 0.513 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@H](C)N(C)C ZINC000162247106 388135438 /nfs/dbraw/zinc/13/54/38/388135438.db2.gz RHCDFGKLBUNFKN-UWVGGRQHSA-N 0 3 236.381 0.349 20 0 BCADHN CCCN[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)NC ZINC000449059840 388136402 /nfs/dbraw/zinc/13/64/02/388136402.db2.gz QQHXLXKIZGHNAA-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CCC[C@@H](O)CN[C@@H](C)CS(C)(=O)=O ZINC000162256423 388136606 /nfs/dbraw/zinc/13/66/06/388136606.db2.gz PMAUKXWDZVJCEE-DTWKUNHWSA-N 0 3 223.338 0.170 20 0 BCADHN C[C@@H](O)CC(C)(C)CNC(=O)[C@H]1NCC1(C)C ZINC000646072416 388136699 /nfs/dbraw/zinc/13/66/99/388136699.db2.gz VXQZVWIPXBSSSA-NXEZZACHSA-N 0 3 242.363 0.898 20 0 BCADHN C[C@H](Cc1ccoc1)NCCNS(C)(=O)=O ZINC000449061086 388137194 /nfs/dbraw/zinc/13/71/94/388137194.db2.gz UXCMQNBAYIHVRW-SECBINFHSA-N 0 3 246.332 0.349 20 0 BCADHN C[C@@H](CNC(=O)NC[C@@H]1CCSC1)N(C)C ZINC000454881469 388138084 /nfs/dbraw/zinc/13/80/84/388138084.db2.gz YUZGVLWHDLZKBY-UWVGGRQHSA-N 0 3 245.392 0.989 20 0 BCADHN CCCN[C@H](C)C(=O)N(CC)CC(=O)NCC ZINC000449076822 388139762 /nfs/dbraw/zinc/13/97/62/388139762.db2.gz IHSIRQXEUIHXKY-SNVBAGLBSA-N 0 3 243.351 0.359 20 0 BCADHN CS[C@H](C)C(=O)N1CCNC(C)(C)C1 ZINC000261528025 135152838 /nfs/dbraw/zinc/15/28/38/135152838.db2.gz IWAIVNONGSDEKP-MRVPVSSYSA-N 0 3 216.350 0.948 20 0 BCADHN CC[C@H](CCO)N[C@H](C)CS(C)(=O)=O ZINC000162281120 388140798 /nfs/dbraw/zinc/14/07/98/388140798.db2.gz IRXSRZVENUFRMV-RKDXNWHRSA-N 0 3 223.338 0.170 20 0 BCADHN CNC(=O)CN1CC2(C[C@H]1C)CCOCC2 ZINC000646096197 388142360 /nfs/dbraw/zinc/14/23/60/388142360.db2.gz DAOFELWLTIEPAC-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN COc1nccnc1CNCCN(C)C(C)C ZINC000449110147 388143588 /nfs/dbraw/zinc/14/35/88/388143588.db2.gz BBUXYYVEVCFFQA-UHFFFAOYSA-N 0 3 238.335 0.915 20 0 BCADHN C[C@H]1C(=O)N(C)CN1CCN1CCC(C)CC1 ZINC000646126220 388148949 /nfs/dbraw/zinc/14/89/49/388148949.db2.gz GNZZBBSLLZUHFU-LBPRGKRZSA-N 0 3 239.363 0.838 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1NCC1(C)C)C[C@H](C)O ZINC000646129154 388149945 /nfs/dbraw/zinc/14/99/45/388149945.db2.gz XMNZWGWHORWMPG-UTLUCORTSA-N 0 3 228.336 0.508 20 0 BCADHN CNCC(=O)N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000646135904 388151996 /nfs/dbraw/zinc/15/19/96/388151996.db2.gz CMEOJIJRVPLLMO-RQJHMYQMSA-N 0 3 240.225 0.384 20 0 BCADHN CCCN[C@H](C)C(=O)N(CC(N)=O)CC(C)C ZINC000449167044 388152039 /nfs/dbraw/zinc/15/20/39/388152039.db2.gz HRXTYDBXQKPQRE-SNVBAGLBSA-N 0 3 243.351 0.344 20 0 BCADHN C[C@@H](N)C(=O)N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000646135940 388152193 /nfs/dbraw/zinc/15/21/93/388152193.db2.gz GGLRCRQHKKLZQT-XVMARJQXSA-N 0 3 240.225 0.512 20 0 BCADHN CN(C)CCNC(=O)Cc1ccc2c(c1)NCC2 ZINC000449182065 388153974 /nfs/dbraw/zinc/15/39/74/388153974.db2.gz BPQLPZOQHPDYHX-UHFFFAOYSA-N 0 3 247.342 0.875 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000449179717 388154259 /nfs/dbraw/zinc/15/42/59/388154259.db2.gz WOGZAPKQANRIEJ-OPRDCNLKSA-N 0 3 225.336 0.336 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@@H](O)C1CCC1 ZINC000449179724 388154273 /nfs/dbraw/zinc/15/42/73/388154273.db2.gz WPOGYEYYMCCUBT-NEPJUHHUSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H](CO)[C@H](C)NCC(=O)N(C)C1CC1 ZINC000164903761 388249123 /nfs/dbraw/zinc/24/91/23/388249123.db2.gz ZPTOPJYWDYJLNY-IUCAKERBSA-N 0 3 214.309 0.214 20 0 BCADHN C[C@H](CF)NC(=O)C1CCN(C)CC1 ZINC000490715076 388249422 /nfs/dbraw/zinc/24/94/22/388249422.db2.gz WCZIITITZMBHEE-MRVPVSSYSA-N 0 3 202.273 0.802 20 0 BCADHN CC(C)[C@H](CCO)NCc1ccn(C)n1 ZINC000164863322 388249588 /nfs/dbraw/zinc/24/95/88/388249588.db2.gz HRFNWSSFVLBFAT-NSHDSACASA-N 0 3 211.309 0.917 20 0 BCADHN CCOCCC(=O)N[C@@H]1CNCCC1(F)F ZINC000449664925 388250714 /nfs/dbraw/zinc/25/07/14/388250714.db2.gz QBMYBIXPNYGMFA-MRVPVSSYSA-N 0 3 236.262 0.526 20 0 BCADHN CN(C)C1(CNCc2cc[nH]n2)CCC1 ZINC000165155710 388251384 /nfs/dbraw/zinc/25/13/84/388251384.db2.gz VRPIPAYTAKXARK-UHFFFAOYSA-N 0 3 208.309 0.984 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCc1cccc(CO)c1 ZINC000645936811 388252284 /nfs/dbraw/zinc/25/22/84/388252284.db2.gz CJPJLQFFAMRPHJ-LBPRGKRZSA-N 0 3 248.326 0.793 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H](C(=O)OC)C1CC1 ZINC000490811451 388255416 /nfs/dbraw/zinc/25/54/16/388255416.db2.gz MYSJAWTWFBRANZ-DTWKUNHWSA-N 0 3 228.292 0.182 20 0 BCADHN C[C@@H]1[C@H](CO)CCN1CCOCC(F)F ZINC000488744523 388192404 /nfs/dbraw/zinc/19/24/04/388192404.db2.gz KDFXZTMKFWQHCI-BDAKNGLRSA-N 0 3 223.263 0.971 20 0 BCADHN C[C@H](CN1CC[C@@H](CO)[C@H]1C)CS(C)(=O)=O ZINC000488746558 388192536 /nfs/dbraw/zinc/19/25/36/388192536.db2.gz NFRCUGFIWRBEJE-MXWKQRLJSA-N 0 3 249.376 0.370 20 0 BCADHN CCCCCNC(=O)CN1CC[C@@H](CO)[C@H]1C ZINC000488723157 388193005 /nfs/dbraw/zinc/19/30/05/388193005.db2.gz WEIQHXOIDCWJCM-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN COC1(CN2CCOC[C@H](O)C2)CCCC1 ZINC000449412398 388198007 /nfs/dbraw/zinc/19/80/07/388198007.db2.gz CMCVTJJUBLNRPY-LLVKDONJSA-N 0 3 229.320 0.639 20 0 BCADHN COCC(C)(C)CN1CCOC[C@H](O)C1 ZINC000449413762 388198081 /nfs/dbraw/zinc/19/80/81/388198081.db2.gz IEDQYEWVRLEROB-SNVBAGLBSA-N 0 3 217.309 0.352 20 0 BCADHN CO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1OC ZINC000489171367 388205364 /nfs/dbraw/zinc/20/53/64/388205364.db2.gz AZYFNPAPSRTYGI-PHIMTYICSA-N 0 3 244.335 0.199 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1N[C@H]1CCCNC1=O ZINC000449436710 388206473 /nfs/dbraw/zinc/20/64/73/388206473.db2.gz JEBOCUYYDHVVDY-ZMLRMANQSA-N 0 3 237.347 0.337 20 0 BCADHN CC[C@@H](O)[C@H](CC)NC(=O)CN(C)C(C)C ZINC000456569378 388208915 /nfs/dbraw/zinc/20/89/15/388208915.db2.gz BBMGPQWJPQYQQA-WDEREUQCSA-N 0 3 230.352 0.992 20 0 BCADHN CC(C)(N)C(=O)NCCCOC[C@@H]1CCOC1 ZINC000490895742 388259149 /nfs/dbraw/zinc/25/91/49/388259149.db2.gz WDAWQTILGAYBMG-JTQLQIEISA-N 0 3 244.335 0.283 20 0 BCADHN COCCN(CCOCCO)[C@@H]1CCO[C@@H]1C ZINC000489414433 388211394 /nfs/dbraw/zinc/21/13/94/388211394.db2.gz ZZPRJNQAEPTBML-VXGBXAGGSA-N 0 3 247.335 0.121 20 0 BCADHN C[C@H](C[S@](C)=O)NCc1cc[nH]c1 ZINC000164316886 388217362 /nfs/dbraw/zinc/21/73/62/388217362.db2.gz JCHSECGGZXOFQD-AMIZOPFISA-N 0 3 200.307 0.871 20 0 BCADHN CCN1C[C@@H](N[C@@H](C)Cn2cccn2)CC1=O ZINC000449515771 388221833 /nfs/dbraw/zinc/22/18/33/388221833.db2.gz BFYXWJNBQHKULH-QWRGUYRKSA-N 0 3 236.319 0.482 20 0 BCADHN CCN1C[C@H](N[C@@H](C)Cn2cccn2)CC1=O ZINC000449515772 388222152 /nfs/dbraw/zinc/22/21/52/388222152.db2.gz BFYXWJNBQHKULH-WDEREUQCSA-N 0 3 236.319 0.482 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](O)C1CCC1 ZINC000456849256 388225338 /nfs/dbraw/zinc/22/53/38/388225338.db2.gz BNLTXLITXLLWPE-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CCC[C@H](C(=O)NC[C@H](O)C1CCC1)N(C)C ZINC000456854843 388228573 /nfs/dbraw/zinc/22/85/73/388228573.db2.gz GJCRCMDUOXHDGQ-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CCOCCN(CCOC)[C@@H]1CCOC1 ZINC000490046161 388232518 /nfs/dbraw/zinc/23/25/18/388232518.db2.gz OSZNXOWSWCTVDK-LLVKDONJSA-N 0 3 217.309 0.760 20 0 BCADHN COCCOCCN(CCOC)[C@@H]1CCOC1 ZINC000490073590 388233664 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CCOC(=O)C(C)(C)NC(=O)/C=C\CN(C)C ZINC000491886290 388326432 /nfs/dbraw/zinc/32/64/32/388326432.db2.gz QLTMWRWOQSISLV-FPLPWBNLSA-N 0 3 242.319 0.562 20 0 BCADHN Cc1nnc(NC(=O)/C=C\CN(C)C)s1 ZINC000491889530 388326476 /nfs/dbraw/zinc/32/64/76/388326476.db2.gz WBIHHSYCIRYVQQ-PLNGDYQASA-N 0 3 226.305 0.903 20 0 BCADHN COC(=O)[C@@H](NC(=O)/C=C\CN(C)C)C1CC1 ZINC000492057863 388333104 /nfs/dbraw/zinc/33/31/04/388333104.db2.gz NUODBJMKISXCGP-WYGGZMRJSA-N 0 3 240.303 0.172 20 0 BCADHN CCC1(O)CCN(C(=O)/C=C/CN(C)C)CC1 ZINC000491901405 388326647 /nfs/dbraw/zinc/32/66/47/388326647.db2.gz AHMGYFHXNJNXHE-AATRIKPKSA-N 0 3 240.347 0.868 20 0 BCADHN CN(C)C/C=C\C(=O)NCC(=O)OC(C)(C)C ZINC000491905974 388327178 /nfs/dbraw/zinc/32/71/78/388327178.db2.gz NZNIMJAQLARBDN-SREVYHEPSA-N 0 3 242.319 0.562 20 0 BCADHN CN(C)C/C=C\C(=O)NCc1nccn1C ZINC000491907137 388327270 /nfs/dbraw/zinc/32/72/70/388327270.db2.gz RJMPGKAHXJAIGS-PLNGDYQASA-N 0 3 222.292 0.154 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)/C=C/CN(C)C ZINC000491913238 388327776 /nfs/dbraw/zinc/32/77/76/388327776.db2.gz KTJOYMUEJXXXHO-QRGHLMKCSA-N 0 3 228.336 0.627 20 0 BCADHN COCCOC[C@H](C)NC(=O)/C=C\CN(C)C ZINC000491947415 388329082 /nfs/dbraw/zinc/32/90/82/388329082.db2.gz YQOXJRULVOMHJK-GZTOBOFZSA-N 0 3 244.335 0.272 20 0 BCADHN CSC[C@H](O)CN1CCSC[C@@H]1CO ZINC000491982768 388330453 /nfs/dbraw/zinc/33/04/53/388330453.db2.gz SIWMSDRYZYXPEH-DTWKUNHWSA-N 0 3 237.390 0.120 20 0 BCADHN C[C@](O)(CN[C@H]1CCC[C@@H]1O)C(F)(F)F ZINC000323338424 388261244 /nfs/dbraw/zinc/26/12/44/388261244.db2.gz XDFBZVJERMEYBL-FXQIFTODSA-N 0 3 227.226 0.803 20 0 BCADHN CCN(C)C(=O)[C@@H](NC[C@@H](C)O)C(C)C ZINC000451313995 388261728 /nfs/dbraw/zinc/26/17/28/388261728.db2.gz OEZGZXJZNOTDNF-ZJUUUORDSA-N 0 3 216.325 0.460 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@@H]2COC[C@@H]2O)C12CCC2 ZINC000323354191 388262142 /nfs/dbraw/zinc/26/21/42/388262142.db2.gz AMFMGSOMBLHULR-NOOOWODRSA-N 0 3 241.331 0.683 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CC[C@@H](SC)C1 ZINC000451320424 388262523 /nfs/dbraw/zinc/26/25/23/388262523.db2.gz AIJTWGXHFFRCGP-MWLCHTKSSA-N 0 3 247.360 0.738 20 0 BCADHN CC[C@H](N)C(=O)NC(CC)(CC)C(=O)OC ZINC000490973011 388263048 /nfs/dbraw/zinc/26/30/48/388263048.db2.gz NIVREJWBWBZISX-QMMMGPOBSA-N 0 3 230.308 0.572 20 0 BCADHN CC[C@](C)(O)CN1CC[C@](O)(C(F)F)C1 ZINC000451421405 388271345 /nfs/dbraw/zinc/27/13/45/388271345.db2.gz BRJWRQBERCWKLY-VHSXEESVSA-N 0 3 223.263 0.849 20 0 BCADHN CC[C@@](C)(O)CN1CC[C@@](O)(C(F)F)C1 ZINC000451421406 388271395 /nfs/dbraw/zinc/27/13/95/388271395.db2.gz BRJWRQBERCWKLY-ZJUUUORDSA-N 0 3 223.263 0.849 20 0 BCADHN CN(C)C1(CNS(=O)(=O)C2(C)CC2)CCC1 ZINC000451434276 388273081 /nfs/dbraw/zinc/27/30/81/388273081.db2.gz HMKCNJBAQNJUDU-UHFFFAOYSA-N 0 3 246.376 0.943 20 0 BCADHN CCOCCN1CC[C@](O)(C(F)F)C1 ZINC000451442485 388273432 /nfs/dbraw/zinc/27/34/32/388273432.db2.gz WGQJBIGFGOKWQS-SECBINFHSA-N 0 3 209.236 0.725 20 0 BCADHN CCn1ncnc1CNC(=O)/C=C\CN(C)C ZINC000492008459 388331311 /nfs/dbraw/zinc/33/13/11/388331311.db2.gz QCUSROAOILKJFV-WAYWQWQTSA-N 0 3 237.307 0.032 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000492302916 388340900 /nfs/dbraw/zinc/34/09/00/388340900.db2.gz YCSSRNPAWIAOBB-HJLXKUKWSA-N 0 3 240.347 0.724 20 0 BCADHN C[C@@H](NC(=O)/C=C\CN(C)C)[C@H](C)CO ZINC000492302452 388340914 /nfs/dbraw/zinc/34/09/14/388340914.db2.gz TXFGMDKAYNFEFM-KWMOZEJZSA-N 0 3 214.309 0.237 20 0 BCADHN CN(C)C/C=C\C(=O)N(CCCCO)C1CC1 ZINC000492301602 388340999 /nfs/dbraw/zinc/34/09/99/388340999.db2.gz VRXBIAUBXFOTMO-WAYWQWQTSA-N 0 3 240.347 0.868 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC[C@](C)(O)C1 ZINC000492315202 388341182 /nfs/dbraw/zinc/34/11/82/388341182.db2.gz AIWHSDOYLNHNFA-RNZFLTOJSA-N 0 3 226.320 0.478 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)CC1CCOCC1 ZINC000492317601 388341350 /nfs/dbraw/zinc/34/13/50/388341350.db2.gz FTLJVHCSQHMIGG-PLNGDYQASA-N 0 3 240.347 0.989 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)/C=C/CN(C)C)CCO1 ZINC000492340646 388341867 /nfs/dbraw/zinc/34/18/67/388341867.db2.gz QUMVDXLBQMYLLM-FYJFLYSWSA-N 0 3 240.347 0.988 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@]1(C)CCCOC1 ZINC000492340256 388341977 /nfs/dbraw/zinc/34/19/77/388341977.db2.gz FKUFHKZXIQYSLY-TXNVCOODSA-N 0 3 226.320 0.790 20 0 BCADHN CC(C)[C@H]1CN(C(=O)/C=C/CN(C)C)CCO1 ZINC000492340643 388342230 /nfs/dbraw/zinc/34/22/30/388342230.db2.gz QUMVDXLBQMYLLM-BTDICHCPSA-N 0 3 240.347 0.988 20 0 BCADHN CSC[C@@H](O)CN1CCN(C)CC1(C)C ZINC000492372854 388342655 /nfs/dbraw/zinc/34/26/55/388342655.db2.gz DCJCJKRIMCTULQ-JTQLQIEISA-N 0 3 232.393 0.736 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H]1CCCOCC1 ZINC000492368890 388342818 /nfs/dbraw/zinc/34/28/18/388342818.db2.gz TZSBXXHAWYWZSD-ZTYXWKCZSA-N 0 3 226.320 0.790 20 0 BCADHN CCC[C@@H](NC(=O)/C=C\CN(C)C)C(=O)OC ZINC000492381290 388342906 /nfs/dbraw/zinc/34/29/06/388342906.db2.gz BUAUTMARRMOUFY-BJPMOSCESA-N 0 3 242.319 0.562 20 0 BCADHN CCN(CC)CC(=O)N1Cc2c[nH]nc2C1 ZINC000646348632 388343402 /nfs/dbraw/zinc/34/34/02/388343402.db2.gz FEZFNMKSOKGDQI-UHFFFAOYSA-N 0 3 222.292 0.594 20 0 BCADHN CO[C@@H](CN[C@@H]1CCCN(C)C1=O)C1CC1 ZINC000642650692 388345223 /nfs/dbraw/zinc/34/52/23/388345223.db2.gz WHFHOJIUGPOXCR-MNOVXSKESA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@H]1C[C@H](NC(=O)CNC)CCO1 ZINC000646388705 388347982 /nfs/dbraw/zinc/34/79/82/388347982.db2.gz ZHEMYELOEDYSCX-BDAKNGLRSA-N 0 3 200.282 0.280 20 0 BCADHN C[C@H](N[C@H]1CCC[C@@H]1O)c1ccnn1C ZINC000193003841 388349046 /nfs/dbraw/zinc/34/90/46/388349046.db2.gz ZGNYQFZGTSMKDL-QXEWZRGKSA-N 0 3 209.293 0.984 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000646390941 388349339 /nfs/dbraw/zinc/34/93/39/388349339.db2.gz XMGQYKDECPFIMN-NXEZZACHSA-N 0 3 237.307 0.179 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1c[nH]c(=O)cc1C ZINC000516568056 388349449 /nfs/dbraw/zinc/34/94/49/388349449.db2.gz PJGDCAYUYNBVDR-QMMMGPOBSA-N 0 3 225.248 0.008 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H](OC)C1 ZINC000233968271 388351886 /nfs/dbraw/zinc/35/18/86/388351886.db2.gz HSBRYILGLUJYAH-BBBLOLIVSA-N 0 3 214.309 0.607 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CCCCC2)C[C@@H](C)N1 ZINC000131861869 388353588 /nfs/dbraw/zinc/35/35/88/388353588.db2.gz JBQFACQAFQCAER-GHMZBOCLSA-N 0 3 239.363 0.857 20 0 BCADHN CN(Cc1ccnc(N)c1)CC1(CO)CC1 ZINC000278348946 388355488 /nfs/dbraw/zinc/35/54/88/388355488.db2.gz CWEWATCZHVPCRI-UHFFFAOYSA-N 0 3 221.304 0.868 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1ccccc1CO ZINC000646426378 388356827 /nfs/dbraw/zinc/35/68/27/388356827.db2.gz DWXHEKLGNOUCOJ-GFCCVEGCSA-N 0 3 248.326 0.793 20 0 BCADHN CN(C[C@@H]1CCCOC1)C(=O)[C@H]1NCC1(C)C ZINC000646432072 388358108 /nfs/dbraw/zinc/35/81/08/388358108.db2.gz JJESRFPUVKDPKD-WDEREUQCSA-N 0 3 240.347 0.869 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCc1ccno1 ZINC000646439211 388358889 /nfs/dbraw/zinc/35/88/89/388358889.db2.gz XURYVIJPBWAUOF-QMMMGPOBSA-N 0 3 209.249 0.289 20 0 BCADHN COC[C@H](CO)NCc1sc(C)nc1C ZINC000234799807 388359547 /nfs/dbraw/zinc/35/95/47/388359547.db2.gz FJXZTSOMKBRUOT-VIFPVBQESA-N 0 3 230.333 0.857 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@H]1NCC1(C)C ZINC000646442772 388359958 /nfs/dbraw/zinc/35/99/58/388359958.db2.gz WENGHZLMTMNKFW-LPEHRKFASA-N 0 3 228.336 0.508 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@H]1NCC1(C)C ZINC000646442771 388360119 /nfs/dbraw/zinc/36/01/19/388360119.db2.gz WENGHZLMTMNKFW-IVZWLZJFSA-N 0 3 228.336 0.508 20 0 BCADHN O=C1NCC[C@@H]1CCN1CC[C@](O)(C(F)F)C1 ZINC000572613940 388360488 /nfs/dbraw/zinc/36/04/88/388360488.db2.gz RCTNIFNZKMDUMA-LDYMZIIASA-N 0 3 248.273 0.215 20 0 BCADHN CO[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)C1 ZINC000234843967 388360610 /nfs/dbraw/zinc/36/06/10/388360610.db2.gz XJRWNEHDBPOMFF-GUBZILKMSA-N 0 3 214.309 0.653 20 0 BCADHN CC(C)(C)C[C@H](O)CNC(=O)[C@H]1NCC1(C)C ZINC000646463934 388361816 /nfs/dbraw/zinc/36/18/16/388361816.db2.gz LXCORRUBSBOABK-VHSXEESVSA-N 0 3 242.363 0.898 20 0 BCADHN COC[C@@H](CO)N[C@H](C)c1ccncc1 ZINC000234901404 388363161 /nfs/dbraw/zinc/36/31/61/388363161.db2.gz VDUQAZQNIVSRKM-MWLCHTKSSA-N 0 3 210.277 0.740 20 0 BCADHN CCOC(=O)CCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000572678320 388365520 /nfs/dbraw/zinc/36/55/20/388365520.db2.gz NFGPKOBHKSYASB-QWRGUYRKSA-N 0 3 245.319 0.005 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@@H]2NCC2(C)C)CC[C@@H]1C ZINC000646486038 388365966 /nfs/dbraw/zinc/36/59/66/388365966.db2.gz RWLZXBJWIGEZED-AXFHLTTASA-N 0 3 240.347 0.868 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@@H](C)[C@H]1CO ZINC000305171305 388366692 /nfs/dbraw/zinc/36/66/92/388366692.db2.gz JREHEISMFKZLRR-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN O=C(CNC1CC1)Nc1cnn(CC2CC2)c1 ZINC000646490289 388366937 /nfs/dbraw/zinc/36/69/37/388366937.db2.gz FWEPADNEYIXBBO-UHFFFAOYSA-N 0 3 234.303 0.984 20 0 BCADHN CCCN(C)CC(=O)N(C)[C@H]1C[C@@H](OC)C1 ZINC000572745592 388372209 /nfs/dbraw/zinc/37/22/09/388372209.db2.gz CBLPLRWGLJLDNA-PHIMTYICSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)NC(=O)NCCN1C[C@H](O)C[C@@H]1C ZINC000572757588 388373287 /nfs/dbraw/zinc/37/32/87/388373287.db2.gz RDXCSZHBONYKGD-VHSXEESVSA-N 0 3 229.324 0.149 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2nccnc2N)C1 ZINC000524720860 388377786 /nfs/dbraw/zinc/37/77/86/388377786.db2.gz HEALTKDYJXGILV-VIFPVBQESA-N 0 3 249.318 0.130 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@@H](C)NC2CC2)no1 ZINC000646535406 388377977 /nfs/dbraw/zinc/37/79/77/388377977.db2.gz QYZFTSCOPVFZGK-SSDOTTSWSA-N 0 3 238.291 0.477 20 0 BCADHN CC(C)COCCC(=O)N1CCCNCC1 ZINC000236606368 388380159 /nfs/dbraw/zinc/38/01/59/388380159.db2.gz XJSSPOVSCMFKEM-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CC(C(=O)N1C[C@@H]2[C@H](C1)C2(C)C)S(C)(=O)=O ZINC000174107510 388381277 /nfs/dbraw/zinc/38/12/77/388381277.db2.gz BQBDBRXUGPGOLM-XHNCKOQMSA-N 0 3 245.344 0.534 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC[C@H](C)C[C@H](C)O ZINC000236697232 388382371 /nfs/dbraw/zinc/38/23/71/388382371.db2.gz XSHDCOXGATZSMV-VWYCJHECSA-N 0 3 230.352 0.883 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CCN[C@@H](C)C1 ZINC000236700221 388382715 /nfs/dbraw/zinc/38/27/15/388382715.db2.gz ZHTJUDNPMLIVDL-VHSXEESVSA-N 0 3 213.325 0.324 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)[C@@H](N)C(C)C ZINC000236867511 388384560 /nfs/dbraw/zinc/38/45/60/388384560.db2.gz CUVHWXBVPGZJLP-BBBLOLIVSA-N 0 3 216.325 0.493 20 0 BCADHN O=C(CNC1CC1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000519825699 256660910 /nfs/dbraw/zinc/66/09/10/256660910.db2.gz SOEIHBDBMYQCEL-SNVBAGLBSA-N 0 3 248.330 0.868 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](OC)C(C)(C)C ZINC000236906181 388385886 /nfs/dbraw/zinc/38/58/86/388385886.db2.gz ZNEGUBUUUYDUPC-DTWKUNHWSA-N 0 3 216.325 0.901 20 0 BCADHN CC[C@@H](NC(=O)CN)c1nc(C)cs1 ZINC000236898886 388386291 /nfs/dbraw/zinc/38/62/91/388386291.db2.gz NINGGGRDJVARMN-SSDOTTSWSA-N 0 3 213.306 0.978 20 0 BCADHN COC[C@@H](O)CNCc1cnn(CC(F)F)c1 ZINC000293044310 388386593 /nfs/dbraw/zinc/38/65/93/388386593.db2.gz ROCNUAZHENHCDM-VIFPVBQESA-N 0 3 249.261 0.245 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000236936490 388386698 /nfs/dbraw/zinc/38/66/98/388386698.db2.gz BFOAILUQLQYSSR-MMWGEVLESA-N 0 3 238.331 0.798 20 0 BCADHN CCOCc1ccc(CNC(=O)CN)cc1 ZINC000236981960 388387503 /nfs/dbraw/zinc/38/75/03/388387503.db2.gz CLVAPIGAEOJVME-UHFFFAOYSA-N 0 3 222.288 0.798 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@@H](N)[C@@H](C)CC ZINC000236978406 388387545 /nfs/dbraw/zinc/38/75/45/388387545.db2.gz RIPCGUXQUGMDKO-NAKRPEOUSA-N 0 3 230.352 0.883 20 0 BCADHN CCC[C@@](C)(NC(=O)CNC)C(=O)OC ZINC000236952192 388387809 /nfs/dbraw/zinc/38/78/09/388387809.db2.gz REOSPQHLJGJAAR-SNVBAGLBSA-N 0 3 216.281 0.054 20 0 BCADHN NCc1cccc(NC(=O)C2(C(N)=O)CC2)c1 ZINC000646578849 388388696 /nfs/dbraw/zinc/38/86/96/388388696.db2.gz HHSXKSFJWSTEDA-UHFFFAOYSA-N 0 3 233.271 0.349 20 0 BCADHN Cc1sccc1CNC(CO)CO ZINC000293429543 388389251 /nfs/dbraw/zinc/38/92/51/388389251.db2.gz AZPMZBAMZHFIBX-UHFFFAOYSA-N 0 3 201.291 0.499 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)Nc1cccc(CN)c1 ZINC000646580887 388390037 /nfs/dbraw/zinc/39/00/37/388390037.db2.gz RYCSCSYGFQNUSA-QMMMGPOBSA-N 0 3 235.287 0.608 20 0 BCADHN COc1cc(Cl)ccc1CNC(=O)CN ZINC000237172413 388390519 /nfs/dbraw/zinc/39/05/19/388390519.db2.gz WJLDJSPYACEECP-UHFFFAOYSA-N 0 3 228.679 0.924 20 0 BCADHN COC(=O)CCCCNC(=O)C1(N)CCCC1 ZINC000237147401 388390781 /nfs/dbraw/zinc/39/07/81/388390781.db2.gz DZNGNIHSYKHPRF-UHFFFAOYSA-N 0 3 242.319 0.717 20 0 BCADHN COC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000193024615 388391304 /nfs/dbraw/zinc/39/13/04/388391304.db2.gz RAMZSEIUNKGLIN-UHNVWZDZSA-N 0 3 225.166 0.617 20 0 BCADHN CNCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000237250928 388391503 /nfs/dbraw/zinc/39/15/03/388391503.db2.gz GNTIQIQGHOIWJM-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN CNCC(=O)NCc1ccc(COC)cc1 ZINC000237240245 388391637 /nfs/dbraw/zinc/39/16/37/388391637.db2.gz MJOJSVSXZMMCES-UHFFFAOYSA-N 0 3 222.288 0.669 20 0 BCADHN CNCc1cccc(NC(=O)[C@@H]2COCCN2)c1 ZINC000237227889 388392096 /nfs/dbraw/zinc/39/20/96/388392096.db2.gz SEGSYBZWACMMOC-LBPRGKRZSA-N 0 3 249.314 0.333 20 0 BCADHN CNCC(=O)NCCNC(=O)CC1CCCC1 ZINC000237224738 388392162 /nfs/dbraw/zinc/39/21/62/388392162.db2.gz BBULRJIDRBSYAI-UHFFFAOYSA-N 0 3 241.335 0.019 20 0 BCADHN CC[C@@H]1OCC[C@H]1N[C@@H]1CCCN(C)C1=O ZINC000572938119 388392644 /nfs/dbraw/zinc/39/26/44/388392644.db2.gz XCAHTMHNSHVNKV-MXWKQRLJSA-N 0 3 226.320 0.764 20 0 BCADHN CC1(C(=O)N2CCCNCC2)CCOCC1 ZINC000646596836 388392720 /nfs/dbraw/zinc/39/27/20/388392720.db2.gz KMOVUNLKRMLXDM-UHFFFAOYSA-N 0 3 226.320 0.625 20 0 BCADHN CSC[C@@H](C)NC(=O)CNC[C@H]1CCCO1 ZINC000237359314 388394247 /nfs/dbraw/zinc/39/42/47/388394247.db2.gz KPSGNERUQWRZMR-NXEZZACHSA-N 0 3 246.376 0.623 20 0 BCADHN C[C@@H]1OCC[C@H]1NC[C@@H]1CCCS1(=O)=O ZINC000134216525 388395915 /nfs/dbraw/zinc/39/59/15/388395915.db2.gz RZGAPDCJJWOMDY-LPEHRKFASA-N 0 3 233.333 0.331 20 0 BCADHN C[C@H](O)CC(C)(C)CNC(=O)C(C)(C)N ZINC000237543290 388396154 /nfs/dbraw/zinc/39/61/54/388396154.db2.gz DHMWXJPIPXQBTH-QMMMGPOBSA-N 0 3 216.325 0.637 20 0 BCADHN C[C@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000237548234 388396700 /nfs/dbraw/zinc/39/67/00/388396700.db2.gz JIZUWBGSEVWNFG-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN O=C(CNC[C@H]1CCCO1)NCC(F)F ZINC000237776719 388398592 /nfs/dbraw/zinc/39/85/92/388398592.db2.gz LUEGNQVHNRJHSS-SSDOTTSWSA-N 0 3 222.235 0.136 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)NCC1CCC1 ZINC000237895680 388399611 /nfs/dbraw/zinc/39/96/11/388399611.db2.gz YTWHHKZTHPXTTJ-NSHDSACASA-N 0 3 226.320 0.671 20 0 BCADHN CN1CCC[C@@H]1C(=O)NCCc1ccc(=O)[nH]c1 ZINC000572983712 388402394 /nfs/dbraw/zinc/40/23/94/388402394.db2.gz ZDWDLWKEXMRPFU-LLVKDONJSA-N 0 3 249.314 0.540 20 0 BCADHN COC(C)(C)CN(C)C(=O)/C=C/CN(C)C ZINC000492123641 388335629 /nfs/dbraw/zinc/33/56/29/388335629.db2.gz BDGNBKRFFTUTMZ-BQYQJAHWSA-N 0 3 228.336 0.988 20 0 BCADHN CS[C@H](C)CNC(=O)/C=C\CN(C)C ZINC000492190096 388337832 /nfs/dbraw/zinc/33/78/32/388337832.db2.gz LOPLSIQJVYTLNN-SSJHQANKSA-N 0 3 216.350 0.972 20 0 BCADHN CN(C)C/C=C\C(=O)NCCSCCCO ZINC000492198673 388337911 /nfs/dbraw/zinc/33/79/11/388337911.db2.gz NTPPMDYVRMGQIP-HYXAFXHYSA-N 0 3 246.376 0.336 20 0 BCADHN CSC[C@H](O)CN1CCN(C)[C@@H](C)[C@H]1C ZINC000492192606 388337959 /nfs/dbraw/zinc/33/79/59/388337959.db2.gz HVYPGFRHYFJGKX-HBNTYKKESA-N 0 3 232.393 0.735 20 0 BCADHN COC(=O)C1(NC(=O)/C=C\CN(C)C)CCC1 ZINC000492204940 388338316 /nfs/dbraw/zinc/33/83/16/388338316.db2.gz QIVVPUNDDCBJTH-XQRVVYSFSA-N 0 3 240.303 0.316 20 0 BCADHN C[C@H](O)[C@H]1CCCN(C(=O)/C=C\CN(C)C)C1 ZINC000492217507 388338387 /nfs/dbraw/zinc/33/83/87/388338387.db2.gz FCYCPLDQMKRXJZ-RAUBUVQISA-N 0 3 240.347 0.724 20 0 BCADHN CN(C)C/C=C\C(=O)NC1(C)CCOCC1 ZINC000492238781 388338966 /nfs/dbraw/zinc/33/89/66/388338966.db2.gz JSQJNNHIDMUPJS-PLNGDYQASA-N 0 3 226.320 0.790 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCCC[C@H]1CCO ZINC000492268037 388339972 /nfs/dbraw/zinc/33/99/72/388339972.db2.gz DCDNCPDDRHXQCQ-HWPRWLFBSA-N 0 3 240.347 0.868 20 0 BCADHN O=C([C@H]1CCCOC1)N1CCN2CCC[C@@H]2C1 ZINC000246202191 388440453 /nfs/dbraw/zinc/44/04/53/388440453.db2.gz MEULXQCPYRHQHW-NWDGAFQWSA-N 0 3 238.331 0.720 20 0 BCADHN Cn1cc2c(n1)CCC[C@H]2NCCCO ZINC000330363591 388443865 /nfs/dbraw/zinc/44/38/65/388443865.db2.gz KWSIBLURUCSBTG-SNVBAGLBSA-N 0 3 209.293 0.770 20 0 BCADHN CCN(C)C(=O)CNC(C)(C)CN1CCCC1 ZINC000308636389 388445712 /nfs/dbraw/zinc/44/57/12/388445712.db2.gz RMFSBQJNQRCVHN-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN CC(C)NC(=O)CNC(C)(C)CN(C)C ZINC000308631468 388446560 /nfs/dbraw/zinc/44/65/60/388446560.db2.gz MRQUGQZALAMFMB-UHFFFAOYSA-N 0 3 215.341 0.441 20 0 BCADHN C[C@H]1CSC[C@H]1NCC(=O)N1CCCC1 ZINC000335589825 388452161 /nfs/dbraw/zinc/45/21/61/388452161.db2.gz QDBBVQHQAGMOIU-VHSXEESVSA-N 0 3 228.361 0.950 20 0 BCADHN COCCCN(C)CCNC(=O)N[C@@H]1C[C@H]1C ZINC000176346830 388452537 /nfs/dbraw/zinc/45/25/37/388452537.db2.gz KCRIMOKDFWMTCB-GHMZBOCLSA-N 0 3 243.351 0.662 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCO[C@H]2C[C@H]21 ZINC000646744190 388453195 /nfs/dbraw/zinc/45/31/95/388453195.db2.gz DYWPFBOFZPQLIT-KXNHARMFSA-N 0 3 238.331 0.859 20 0 BCADHN O=C1NC(=O)[C@]2(CCCN(CC3(F)CC3)C2)N1 ZINC000526001644 388453447 /nfs/dbraw/zinc/45/34/47/388453447.db2.gz RGLGFYDPLYNORW-LLVKDONJSA-N 0 3 241.266 0.163 20 0 BCADHN CC1(C)OCC[C@H]1NCC(=O)N1CCCC1 ZINC000335661835 388454508 /nfs/dbraw/zinc/45/45/08/388454508.db2.gz VMIAMSFGHKUVFP-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CN(C)CCNC(=O)c1ccc2[nH]cnc2c1 ZINC000035128328 388456922 /nfs/dbraw/zinc/45/69/22/388456922.db2.gz YRZPBHDRGQWSJO-UHFFFAOYSA-N 0 3 232.287 0.854 20 0 BCADHN CSCCN1CCSC[C@H]1CO ZINC000336634796 388457830 /nfs/dbraw/zinc/45/78/30/388457830.db2.gz XHTFSYPVMVHASD-MRVPVSSYSA-N 0 3 207.364 0.759 20 0 BCADHN C[C@@H](NCc1cc(C(N)=O)no1)C1CC1 ZINC000336673986 388461584 /nfs/dbraw/zinc/46/15/84/388461584.db2.gz ABXCKWBJGNFWSN-ZCFIWIBFSA-N 0 3 209.249 0.662 20 0 BCADHN C[C@H](NCc1cc(C(N)=O)no1)C1CC1 ZINC000336673981 388461859 /nfs/dbraw/zinc/46/18/59/388461859.db2.gz ABXCKWBJGNFWSN-LURJTMIESA-N 0 3 209.249 0.662 20 0 BCADHN CCCCS(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000074864552 388461983 /nfs/dbraw/zinc/46/19/83/388461983.db2.gz WZHDPFLPXROCAD-JTQLQIEISA-N 0 3 234.365 0.658 20 0 BCADHN C1=CCN(CCNCc2cncnc2)CC1 ZINC000336695663 388463614 /nfs/dbraw/zinc/46/36/14/388463614.db2.gz YISUZKCDKRKJTG-UHFFFAOYSA-N 0 3 218.304 0.828 20 0 BCADHN Cn1nccc1CNC[C@@](C)(O)C1CC1 ZINC000336704084 388465538 /nfs/dbraw/zinc/46/55/38/388465538.db2.gz QLGBHYNMMOSKHU-LLVKDONJSA-N 0 3 209.293 0.671 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1C2CCC1CC2 ZINC000515629327 256751582 /nfs/dbraw/zinc/75/15/82/256751582.db2.gz NHWDVHNHVZJLQO-CBINBANVSA-N 0 3 227.304 0.927 20 0 BCADHN CCCC1(C(=O)NC[C@@](C)(O)CN(C)C)CC1 ZINC000336716178 388467529 /nfs/dbraw/zinc/46/75/29/388467529.db2.gz SXEINUPCFHZUIM-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN CN(C)CCOCCNC(=O)C1(CF)CCC1 ZINC000648853484 388470606 /nfs/dbraw/zinc/47/06/06/388470606.db2.gz CPTUGQBBXULUQY-UHFFFAOYSA-N 0 3 246.326 0.821 20 0 BCADHN CO[C@@H](CNC(=O)C1(N)CCOCC1)C(C)C ZINC000338151112 388475230 /nfs/dbraw/zinc/47/52/30/388475230.db2.gz CXQTXJWDTXWPRP-JTQLQIEISA-N 0 3 244.335 0.282 20 0 BCADHN CCOC[C@H](O)CN1CCOC[C@H](C)C1 ZINC000338255419 388475276 /nfs/dbraw/zinc/47/52/76/388475276.db2.gz ULGUKMSYIZBRSM-GHMZBOCLSA-N 0 3 217.309 0.352 20 0 BCADHN CC[C@](C)(CCO)NCc1cnnn1C ZINC000134466861 388476222 /nfs/dbraw/zinc/47/62/22/388476222.db2.gz LHPINQKZFOBANX-SNVBAGLBSA-N 0 3 212.297 0.456 20 0 BCADHN CCN(CC(=O)NCC(=O)OC)C(C)C ZINC000194094118 388477575 /nfs/dbraw/zinc/47/75/75/388477575.db2.gz HJUMZDBCHPVFPJ-UHFFFAOYSA-N 0 3 216.281 0.006 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2cn[nH]c2)C1 ZINC000524775352 388409345 /nfs/dbraw/zinc/40/93/45/388409345.db2.gz DQSMGLZGJDRHIA-VIFPVBQESA-N 0 3 222.292 0.481 20 0 BCADHN C[C@H]1CCCN(CC(=O)N2CCOCC2)CC1 ZINC000068830107 388411117 /nfs/dbraw/zinc/41/11/17/388411117.db2.gz QHKFDNUTHLMNAN-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN COc1nccc(CN[C@H]2CCCC[C@@H]2O)n1 ZINC000295334293 388411270 /nfs/dbraw/zinc/41/12/70/388411270.db2.gz ZTCUATWWDCVQPT-QWRGUYRKSA-N 0 3 237.303 0.878 20 0 BCADHN NCCn1ncc(Cl)c(Cl)c1=O ZINC000165766144 388411516 /nfs/dbraw/zinc/41/15/16/388411516.db2.gz ZNGDJGGOJPFPLV-UHFFFAOYSA-N 0 3 208.048 0.509 20 0 BCADHN CCCN(C)C(=O)C(C)S(C)(=O)=O ZINC000068997982 388411664 /nfs/dbraw/zinc/41/16/64/388411664.db2.gz YHFCRKLIHZMGRN-ZETCQYMHSA-N 0 3 207.295 0.288 20 0 BCADHN C(CN1CCCOCC1)OC[C@@H]1CCCO1 ZINC000524991398 388413648 /nfs/dbraw/zinc/41/36/48/388413648.db2.gz WEXQGIZEZUACDI-LBPRGKRZSA-N 0 3 229.320 0.904 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C(=O)OC)C(C)C ZINC000040437981 388415695 /nfs/dbraw/zinc/41/56/95/388415695.db2.gz RIPOVUPAUFRZOL-HTQZYQBOSA-N 0 3 216.281 0.038 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NC[C@@]1(C)CCOC1 ZINC000397232734 388421645 /nfs/dbraw/zinc/42/16/45/388421645.db2.gz NKNSHYVMMHJSLX-BXKDBHETSA-N 0 3 228.336 0.903 20 0 BCADHN COc1nccc(CNCCN2CC=CCC2)n1 ZINC000296727464 388425280 /nfs/dbraw/zinc/42/52/80/388425280.db2.gz JLJZVAKLSRYHEL-UHFFFAOYSA-N 0 3 248.330 0.837 20 0 BCADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C1CC(=O)C1 ZINC000245670530 388427132 /nfs/dbraw/zinc/42/71/32/388427132.db2.gz CWHMBLNVQBRKGE-ONGXEEELSA-N 0 3 236.315 0.661 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000513448079 388428752 /nfs/dbraw/zinc/42/87/52/388428752.db2.gz QVKXPUGEOZKGFN-HBNTYKKESA-N 0 3 228.336 0.602 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@H](C)[C@@H](C)O ZINC000573197240 388431073 /nfs/dbraw/zinc/43/10/73/388431073.db2.gz HLSKWYLACDSKDS-ZYUZMQFOSA-N 0 3 203.282 0.149 20 0 BCADHN CC(=O)C[C@@H](C)NC(=O)[C@@H]1CCN(C)[C@@H]1C ZINC000648837267 388432138 /nfs/dbraw/zinc/43/21/38/388432138.db2.gz IYSAGKVSBMYKMM-FBIMIBRVSA-N 0 3 226.320 0.810 20 0 BCADHN CN[C@@H](C)C(=O)N(C[C@@H](C)OC)C(C)C ZINC000514873649 256724765 /nfs/dbraw/zinc/72/47/65/256724765.db2.gz UNKMYSQYKZOUMT-ZJUUUORDSA-N 0 3 216.325 0.866 20 0 BCADHN CC[C@H](CO)NCc1cn2cccnc2n1 ZINC000298157692 388435906 /nfs/dbraw/zinc/43/59/06/388435906.db2.gz GBDNALWAVSWHBG-SECBINFHSA-N 0 3 220.276 0.590 20 0 BCADHN CC[C@@H](CO)NCc1cn2cccnc2n1 ZINC000298157697 388436319 /nfs/dbraw/zinc/43/63/19/388436319.db2.gz GBDNALWAVSWHBG-VIFPVBQESA-N 0 3 220.276 0.590 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@H](C)C(N)=O)C12CCC2 ZINC000308346184 388436507 /nfs/dbraw/zinc/43/65/07/388436507.db2.gz PNBLPSIQUSCLSC-IWSPIJDZSA-N 0 3 212.293 0.407 20 0 BCADHN CO[C@@H]1C[C@H](NCC(=O)NC2CC2)C12CCC2 ZINC000308394274 388437714 /nfs/dbraw/zinc/43/77/14/388437714.db2.gz NVBFNNDZOMGPTN-WDEREUQCSA-N 0 3 238.331 0.812 20 0 BCADHN COC[C@H](O)CN[C@H](C)c1cncnc1C ZINC000520837802 388537494 /nfs/dbraw/zinc/53/74/94/388537494.db2.gz HWJIKWBRAXCQQE-PSASIEDQSA-N 0 3 225.292 0.443 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCCC[C@@H]1C(C)C ZINC000352954925 388541664 /nfs/dbraw/zinc/54/16/64/388541664.db2.gz KNLMSQQGGHGMRW-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN COC[C@H](N[C@H](C)C(=O)NC1CC1)C1CC1 ZINC000136627680 388543043 /nfs/dbraw/zinc/54/30/43/388543043.db2.gz ZAGUBSMJPGVEJL-KCJUWKMLSA-N 0 3 226.320 0.668 20 0 BCADHN CN(C(=O)c1cccnn1)[C@H]1CCN(C2CC2)C1 ZINC000528530412 388543370 /nfs/dbraw/zinc/54/33/70/388543370.db2.gz XNDMICWZNXAVEL-NSHDSACASA-N 0 3 246.314 0.785 20 0 BCADHN CC[C@H](COC)N[C@@H]1CCS(=O)(=O)[C@H]1C ZINC000353847834 388544167 /nfs/dbraw/zinc/54/41/67/388544167.db2.gz ULSYHQYHUCWVBK-IVZWLZJFSA-N 0 3 235.349 0.577 20 0 BCADHN O[C@@H](CN1C[C@H]2[C@@H](C1)C2(F)F)CC1(O)CCC1 ZINC000528534251 388544800 /nfs/dbraw/zinc/54/48/00/388544800.db2.gz PPBDUNFISXWFEZ-BBBLOLIVSA-N 0 3 247.285 0.849 20 0 BCADHN Cc1ncc(CNCCCn2ccnn2)n1C ZINC000517247946 388546123 /nfs/dbraw/zinc/54/61/23/388546123.db2.gz ZTFXSRLFKXPKLB-UHFFFAOYSA-N 0 3 234.307 0.500 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@@H](O)CSC ZINC000517352199 388547640 /nfs/dbraw/zinc/54/76/40/388547640.db2.gz NEQQYXDYLCLKLG-GHMZBOCLSA-N 0 3 232.393 0.736 20 0 BCADHN CC[C@@H](N[C@@H]1CCCC[C@@H]1C(=O)OC)C(N)=O ZINC000451585527 256783016 /nfs/dbraw/zinc/78/30/16/256783016.db2.gz CACKRKZWKWJQRB-IVZWLZJFSA-N 0 3 242.319 0.572 20 0 BCADHN O=C1NCCCC[C@H]1N1CCC[C@@H](O)CC1 ZINC000339784804 388486360 /nfs/dbraw/zinc/48/63/60/388486360.db2.gz RUALQVGBSWFAOG-GHMZBOCLSA-N 0 3 226.320 0.502 20 0 BCADHN CN(CCC1CC1)CC(=O)N1CCNC1=O ZINC000135267026 388487822 /nfs/dbraw/zinc/48/78/22/388487822.db2.gz OMAPXCHHRQKFTH-UHFFFAOYSA-N 0 3 225.292 0.270 20 0 BCADHN COCCC1CCN(CCOCCO)CC1 ZINC000528572933 388548536 /nfs/dbraw/zinc/54/85/36/388548536.db2.gz HJHFJBJVUHMTIK-UHFFFAOYSA-N 0 3 231.336 0.744 20 0 BCADHN CC(C)N(C)CC(=O)N1CCNCC1(C)C ZINC000649273359 388488259 /nfs/dbraw/zinc/48/82/59/388488259.db2.gz FEMSCCQBIJCPTO-UHFFFAOYSA-N 0 3 227.352 0.537 20 0 BCADHN CO[C@@H](CN[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000378730176 388488820 /nfs/dbraw/zinc/48/88/20/388488820.db2.gz CVDBSJFGIAVCDK-UWVGGRQHSA-N 0 3 233.333 0.188 20 0 BCADHN C[NH+](C)CCCNC(=O)c1ccc(O)cc1[O-] ZINC000003182231 388490162 /nfs/dbraw/zinc/49/01/62/388490162.db2.gz UXOXPPOINSLKML-UHFFFAOYSA-N 0 3 238.287 0.779 20 0 BCADHN COC(=O)[C@@H](O)C1CCN(CCCF)CC1 ZINC000135343748 388492268 /nfs/dbraw/zinc/49/22/68/388492268.db2.gz PCSWCHCVTHYZMM-JTQLQIEISA-N 0 3 233.283 0.592 20 0 BCADHN CCCCNC(=O)[C@H](C)N1C[C@@H](O)[C@@H](CC)C1 ZINC000341021063 388494486 /nfs/dbraw/zinc/49/44/86/388494486.db2.gz ABMHUQUMIVVKOG-SDDRHHMPSA-N 0 3 242.363 0.994 20 0 BCADHN Cn1nnnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000517389315 388548810 /nfs/dbraw/zinc/54/88/10/388548810.db2.gz BMUPAZKYOVZHCV-SNVBAGLBSA-N 0 3 236.323 0.275 20 0 BCADHN CCCCNC(=O)CN(C)C[C@@H]1CCOC1 ZINC000178363513 388499282 /nfs/dbraw/zinc/49/92/82/388499282.db2.gz MICLLUHRMUMKSH-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN CC(C)CNC(=O)CN(C)C[C@H]1CCOC1 ZINC000178367340 388499939 /nfs/dbraw/zinc/49/99/39/388499939.db2.gz ROOHPFGTUIRZQU-LLVKDONJSA-N 0 3 228.336 0.727 20 0 BCADHN COCCCNC(=O)CN[C@H]1CSC[C@H]1C ZINC000397801293 388500028 /nfs/dbraw/zinc/50/00/28/388500028.db2.gz CMCWYKZYOGUHBQ-ZJUUUORDSA-N 0 3 246.376 0.480 20 0 BCADHN CN(CCC[NH3+])C(=O)c1ccc2n[n-]nc2c1 ZINC000646780634 388500607 /nfs/dbraw/zinc/50/06/07/388500607.db2.gz VMRFYVMPEXWUQA-UHFFFAOYSA-N 0 3 233.275 0.379 20 0 BCADHN Cn1ccc(CN[C@H]2CCn3ccnc3C2)n1 ZINC000548623021 388549100 /nfs/dbraw/zinc/54/91/00/388549100.db2.gz WCSPXQPYQWXHSA-JTQLQIEISA-N 0 3 231.303 0.721 20 0 BCADHN CCC[C@H](CN[C@@H]1COC[C@@H]1O)OC ZINC000378759845 388501238 /nfs/dbraw/zinc/50/12/38/388501238.db2.gz AEIWXGIHOFWMEW-BBBLOLIVSA-N 0 3 203.282 0.151 20 0 BCADHN COc1ccc([O-])c(C(=O)NCC2C[NH2+]C2)c1 ZINC000397822521 388502490 /nfs/dbraw/zinc/50/24/90/388502490.db2.gz HUJJBCKNOVKTTK-UHFFFAOYSA-N 0 3 236.271 0.350 20 0 BCADHN COC(=O)[C@](C)(O)CN(C)[C@H]1CCCOC1 ZINC000343930803 388503960 /nfs/dbraw/zinc/50/39/60/388503960.db2.gz DZRSESHTNMCITM-GXSJLCMTSA-N 0 3 231.292 0.021 20 0 BCADHN CCCNC(=O)[C@@H](C)N(C)C[C@@H]1CCOC1 ZINC000178778161 388505411 /nfs/dbraw/zinc/50/54/11/388505411.db2.gz VRGCIYHVRSFKQI-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)NCC(C)(C)C ZINC000178995623 388508595 /nfs/dbraw/zinc/50/85/95/388508595.db2.gz CCCIHSYUHSPDIW-GFCCVEGCSA-N 0 3 245.367 0.644 20 0 BCADHN CC[C@H](C)NC(=O)CN(CC)CC(C)(C)O ZINC000078748492 388511919 /nfs/dbraw/zinc/51/19/19/388511919.db2.gz ZAWPLLPIDAYWCW-JTQLQIEISA-N 0 3 230.352 0.994 20 0 BCADHN CCO[C@H](CC)C(=O)N[C@@H](C)CN(C)C ZINC000516637856 388512563 /nfs/dbraw/zinc/51/25/63/388512563.db2.gz FMENOFVPKGHVHI-VHSXEESVSA-N 0 3 216.325 0.868 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CC[C@](C)(O)C2)C1 ZINC000516672304 388513152 /nfs/dbraw/zinc/51/31/52/388513152.db2.gz LLJMZLWSYYSWRM-JQWIXIFHSA-N 0 3 226.320 0.312 20 0 BCADHN CC(C)[C@H](C(=O)NC1COCCOC1)N(C)C ZINC000646801219 388513342 /nfs/dbraw/zinc/51/33/42/388513342.db2.gz MVTFLJQRWVLJAQ-LLVKDONJSA-N 0 3 244.335 0.104 20 0 BCADHN CC[C@@H]1CN(CC)CCN1Cc1nncn1C ZINC000516716100 388514280 /nfs/dbraw/zinc/51/42/80/388514280.db2.gz MMODRQMPLCAYSD-LLVKDONJSA-N 0 3 237.351 0.731 20 0 BCADHN CC[C@H](NC(=O)[C@@H](C)N)C1CCOCC1 ZINC000261540177 135179398 /nfs/dbraw/zinc/17/93/98/135179398.db2.gz DTIDZKJEQSMOBQ-SCZZXKLOSA-N 0 3 214.309 0.655 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000516767073 388516199 /nfs/dbraw/zinc/51/61/99/388516199.db2.gz QEVJUCKKAKOPNT-YIZRAAEISA-N 0 3 247.289 0.322 20 0 BCADHN C[C@@]1(CNC(=O)[C@H](N)CC(F)F)CCOC1 ZINC000345825020 388516400 /nfs/dbraw/zinc/51/64/00/388516400.db2.gz VNMXLAISWDZKKM-XCBNKYQSSA-N 0 3 236.262 0.512 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H](C)CCC1CC1 ZINC000398146791 388516517 /nfs/dbraw/zinc/51/65/17/388516517.db2.gz DLDZZRYOBNNKHK-WPRPVWTQSA-N 0 3 214.309 0.655 20 0 BCADHN CC[C@](C)(CO)NC(=O)C1CCN(C)CC1 ZINC000516803504 388517926 /nfs/dbraw/zinc/51/79/26/388517926.db2.gz UNEXZIGOZIEAEM-GFCCVEGCSA-N 0 3 228.336 0.605 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1Cc1ccc2[nH]cnc2c1 ZINC000548176269 388519299 /nfs/dbraw/zinc/51/92/99/388519299.db2.gz JNDOWHCBLSYWQH-QWRGUYRKSA-N 0 3 247.298 0.490 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1Cc1ccc2nc[nH]c2c1 ZINC000548176269 388519301 /nfs/dbraw/zinc/51/93/01/388519301.db2.gz JNDOWHCBLSYWQH-QWRGUYRKSA-N 0 3 247.298 0.490 20 0 BCADHN CO[C@H](CNCC(=O)N(C)C)C1CC1 ZINC000378839571 388519828 /nfs/dbraw/zinc/51/98/28/388519828.db2.gz OIEGFQWLZKGFQY-SECBINFHSA-N 0 3 200.282 0.089 20 0 BCADHN Cc1cncn1CC(=O)Nc1nnc(C)[nH]1 ZINC000528416066 388521479 /nfs/dbraw/zinc/52/14/79/388521479.db2.gz WGSMFDBXPNBGLR-UHFFFAOYSA-N 0 3 220.236 0.257 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)c1cccnn1 ZINC000528421267 388521887 /nfs/dbraw/zinc/52/18/87/388521887.db2.gz DXLLFAKBDQBYKC-UHFFFAOYSA-N 0 3 248.330 0.890 20 0 BCADHN Cc1cnccc1CN1C[C@@H](O)C[C@H]1CO ZINC000528427343 388523186 /nfs/dbraw/zinc/52/31/86/388523186.db2.gz JXWXZJLFMOOKNE-RYUDHWBXSA-N 0 3 222.288 0.318 20 0 BCADHN CN([C@@H]1CCCN(C)C1=O)[C@@H]1CCCC[C@H]1O ZINC000548301385 388526854 /nfs/dbraw/zinc/52/68/54/388526854.db2.gz FCNPBLPVKSDNND-IJLUTSLNSA-N 0 3 240.347 0.843 20 0 BCADHN Cc1n[nH]c(C)c1CN1C[C@@H](O)C2(CC2)C1 ZINC000548317425 388527856 /nfs/dbraw/zinc/52/78/56/388527856.db2.gz KPOUIVLLROHDEB-LLVKDONJSA-N 0 3 221.304 0.983 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)C[C@H]2CCCO2)C1 ZINC000520836801 388528795 /nfs/dbraw/zinc/52/87/95/388528795.db2.gz ZVAPGXUFMMBYSG-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@]1(C)CCCN([C@H]2CC(=O)NC2=O)C1 ZINC000516977954 388529719 /nfs/dbraw/zinc/52/97/19/388529719.db2.gz LXQYMELVQJZHNH-CABZTGNLSA-N 0 3 224.304 0.914 20 0 BCADHN OC[C@@H]1CN(CCOC2CCC2)C[C@H]1CO ZINC000528599683 388550239 /nfs/dbraw/zinc/55/02/39/388550239.db2.gz RTVHXRPPRAYWJJ-QWRGUYRKSA-N 0 3 229.320 0.088 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H](C)[C@@H](O)C1 ZINC000351807441 388533550 /nfs/dbraw/zinc/53/35/50/388533550.db2.gz HNPRWKJZGRQTPG-UTLUCORTSA-N 0 3 228.336 0.602 20 0 BCADHN OC[C@@H]1CN(CCOCC2CCC2)C[C@H]1CO ZINC000528597077 388550306 /nfs/dbraw/zinc/55/03/06/388550306.db2.gz ATSKHQSYOSECKX-STQMWFEESA-N 0 3 243.347 0.336 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)c1ncc[nH]1 ZINC000517040202 388534530 /nfs/dbraw/zinc/53/45/30/388534530.db2.gz QBECJGZJWKUMOQ-SECBINFHSA-N 0 3 224.308 0.929 20 0 BCADHN Cc1n[nH]cc1CN1C[C@@H](C(N)=O)CC[C@H]1C ZINC000245547960 388588573 /nfs/dbraw/zinc/58/85/73/388588573.db2.gz XAQHRTLUMJDRQX-SCZZXKLOSA-N 0 3 236.319 0.804 20 0 BCADHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)CCO ZINC000081671889 388589138 /nfs/dbraw/zinc/58/91/38/388589138.db2.gz WUTVFITUUQMPOK-VIFPVBQESA-N 0 3 232.324 0.824 20 0 BCADHN CN(C[C@H]1CCCC[C@@H]1O)[C@H]1CCN(C)C1=O ZINC000245563533 388590492 /nfs/dbraw/zinc/59/04/92/388590492.db2.gz YNIKKVSLEOWVLS-WOPDTQHZSA-N 0 3 240.347 0.700 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)N1CCOCC1 ZINC000185980603 388595221 /nfs/dbraw/zinc/59/52/21/388595221.db2.gz YTCQZQAYPUSXJW-UHFFFAOYSA-N 0 3 241.335 0.465 20 0 BCADHN CCS(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000106891543 388598813 /nfs/dbraw/zinc/59/88/13/388598813.db2.gz HAAULMNJULCHCE-JTQLQIEISA-N 0 3 246.376 0.943 20 0 BCADHN CCN1CC[C@H]2OCCN(C[C@H](C)OC)[C@H]2C1 ZINC000550215754 388602406 /nfs/dbraw/zinc/60/24/06/388602406.db2.gz KZWVIUDBTBNOHT-RWMBFGLXSA-N 0 3 242.363 0.816 20 0 BCADHN Cc1nocc1CNC[C@@H](CO)[C@@H]1CCOC1 ZINC000550216259 388602436 /nfs/dbraw/zinc/60/24/36/388602436.db2.gz UTKXDXBXVPUAQD-MNOVXSKESA-N 0 3 240.303 0.718 20 0 BCADHN CC1(C)CN[C@H]1C(=O)Nc1ccc[nH]c1=O ZINC000649314234 388602659 /nfs/dbraw/zinc/60/26/59/388602659.db2.gz VIWSANOYWDGYHT-QMMMGPOBSA-N 0 3 221.260 0.724 20 0 BCADHN C[C@H](CN1CCCCCC1)NS(C)(=O)=O ZINC000186771907 388603487 /nfs/dbraw/zinc/60/34/87/388603487.db2.gz DOMMVHGBIBTEEF-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN CCNC(=O)CN[C@@H](C)[C@H]1CCCCO1 ZINC000379272324 388604626 /nfs/dbraw/zinc/60/46/26/388604626.db2.gz WUWAFFWLMQSFOF-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN C[C@@H](NCC(=O)N(C)C)[C@H]1CCCCO1 ZINC000379269035 388604637 /nfs/dbraw/zinc/60/46/37/388604637.db2.gz TYUWLZQQMMEAQQ-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)(O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530027988 388605714 /nfs/dbraw/zinc/60/57/14/388605714.db2.gz NKHUOHNQQRKXHL-LLVKDONJSA-N 0 3 240.347 0.890 20 0 BCADHN OCC1(CN2CCC[C@@H]2CF)COC1 ZINC000550410437 388607476 /nfs/dbraw/zinc/60/74/76/388607476.db2.gz UDVXOFVADRDSRU-SECBINFHSA-N 0 3 203.257 0.429 20 0 BCADHN CCCN1CCN(CCC(=O)OC)C[C@H]1C ZINC000245921984 388610071 /nfs/dbraw/zinc/61/00/71/388610071.db2.gz YAZJUQJJMBWGPZ-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC(C)[C@H](C(=O)NCC1COC1)N(C)C ZINC000530116448 388610178 /nfs/dbraw/zinc/61/01/78/388610178.db2.gz PHRBXWAWKSFXLW-SNVBAGLBSA-N 0 3 214.309 0.335 20 0 BCADHN CN(C(=O)Cn1cccn1)C1CCN(C)CC1 ZINC000082267976 388611417 /nfs/dbraw/zinc/61/14/17/388611417.db2.gz JKNKEOVLXIDNPB-UHFFFAOYSA-N 0 3 236.319 0.436 20 0 BCADHN C[C@@H](NCC[C@@H]1CCNC1=O)c1ccn(C)n1 ZINC000517584883 388554935 /nfs/dbraw/zinc/55/49/35/388554935.db2.gz YNFKZDFLNSQMGJ-NXEZZACHSA-N 0 3 236.319 0.597 20 0 BCADHN CO[C@@H](C)CN1CCC(F)(F)[C@H](CO)C1 ZINC000361405686 388559471 /nfs/dbraw/zinc/55/94/71/388559471.db2.gz XYBYHAAGAMBIBV-IUCAKERBSA-N 0 3 223.263 0.971 20 0 BCADHN CCC[C@H](C)N1CC[C@@H](S(=O)(=O)NC)C1 ZINC000548849381 388565749 /nfs/dbraw/zinc/56/57/49/388565749.db2.gz GXQNUHVIBIFUDL-VHSXEESVSA-N 0 3 234.365 0.799 20 0 BCADHN CO[C@@H](C)CN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000367831487 388567527 /nfs/dbraw/zinc/56/75/27/388567527.db2.gz IFUFEYUXBCEQOQ-HBNTYKKESA-N 0 3 249.376 0.967 20 0 BCADHN CC[C@H](O)CN[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000517360934 256823280 /nfs/dbraw/zinc/82/32/80/256823280.db2.gz BVMSUQNGBARNMP-IUCAKERBSA-N 0 3 235.349 0.313 20 0 BCADHN CC(C)CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368202453 388568232 /nfs/dbraw/zinc/56/82/32/388568232.db2.gz ORNBURBVENRUQC-IUCAKERBSA-N 0 3 202.273 0.849 20 0 BCADHN CC[C@H](O)CN[C@@H]1CCN(C(C)C)C1=O ZINC000581127685 388571388 /nfs/dbraw/zinc/57/13/88/388571388.db2.gz ZQDFJNAKOMQIRG-VHSXEESVSA-N 0 3 214.309 0.356 20 0 BCADHN CNC(=O)CCN1CC[C@H](OC(F)F)C1 ZINC000549078996 388572333 /nfs/dbraw/zinc/57/23/33/388572333.db2.gz RRENTYWSJORTEU-ZETCQYMHSA-N 0 3 222.235 0.436 20 0 BCADHN CCN(CCO)CCNC(=O)C(C)C ZINC000183935974 388572814 /nfs/dbraw/zinc/57/28/14/388572814.db2.gz CFEHFFWOXPCJAB-UHFFFAOYSA-N 0 3 202.298 0.073 20 0 BCADHN CC[C@@H](C)OCC(=O)NCCN(CC)CCO ZINC000183940250 388572923 /nfs/dbraw/zinc/57/29/23/388572923.db2.gz HEOAEHMLHHVPFD-LLVKDONJSA-N 0 3 246.351 0.232 20 0 BCADHN C[C@H](O)CN1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528789900 388573134 /nfs/dbraw/zinc/57/31/34/388573134.db2.gz UKWAORCLCWFGIM-WPRPVWTQSA-N 0 3 223.276 0.700 20 0 BCADHN CCN(CCO)CCNC(=O)c1ccoc1C ZINC000183986976 388573125 /nfs/dbraw/zinc/57/31/25/388573125.db2.gz PHQYLHPQZLFCTM-UHFFFAOYSA-N 0 3 240.303 0.632 20 0 BCADHN CCN(CCO)CCNC(=O)CCSC ZINC000183986587 388573954 /nfs/dbraw/zinc/57/39/54/388573954.db2.gz SKEZOVQAFBALPX-UHFFFAOYSA-N 0 3 234.365 0.170 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@H]([C@H](C)O)C1 ZINC000252780428 388577292 /nfs/dbraw/zinc/57/72/92/388577292.db2.gz QPZHNISDJOOFDA-UTLUCORTSA-N 0 3 226.320 0.356 20 0 BCADHN CC(C)N(C)CC(=O)N1CCN2CC[C@H]1C2 ZINC000615562440 388577714 /nfs/dbraw/zinc/57/77/14/388577714.db2.gz HSYQWQQOBUEPOP-NSHDSACASA-N 0 3 225.336 0.243 20 0 BCADHN C[C@H]1CC[NH2+]C[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000517722111 256831861 /nfs/dbraw/zinc/83/18/61/256831861.db2.gz MVGNNLWHQUBPAX-IONNQARKSA-N 0 3 232.291 0.136 20 0 BCADHN CC(=O)NCCCN1CC[C@H](OC(F)F)C1 ZINC000549411311 388578671 /nfs/dbraw/zinc/57/86/71/388578671.db2.gz UPUFVJNHXPXGTG-VIFPVBQESA-N 0 3 236.262 0.826 20 0 BCADHN CC/C=C/CCN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000184560872 388579512 /nfs/dbraw/zinc/57/95/12/388579512.db2.gz PVXSVRCMBXHAGH-SGUJLRQBSA-N 0 3 246.376 0.966 20 0 BCADHN CCN(CCO)CCNCc1cccnc1C ZINC000184538063 388579846 /nfs/dbraw/zinc/57/98/46/388579846.db2.gz DUOMBMZXNNEXFP-UHFFFAOYSA-N 0 3 237.347 0.794 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CCCCNC1=O ZINC000037019251 388581512 /nfs/dbraw/zinc/58/15/12/388581512.db2.gz SRUXSSHRBQXYTJ-BBBLOLIVSA-N 0 3 241.335 0.145 20 0 BCADHN CC(C)(CN)C(=O)Nc1c[nH]ccc1=O ZINC000649301177 388583328 /nfs/dbraw/zinc/58/33/28/388583328.db2.gz KBNSEAMUFYWSJW-UHFFFAOYSA-N 0 3 209.249 0.298 20 0 BCADHN CN(C[C@H]1CCCOC1)[C@@H]1CCN(C)C1=O ZINC000245498823 388584272 /nfs/dbraw/zinc/58/42/72/388584272.db2.gz WZMOBMKSMXNBFO-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN Cn1cncc1CNCCOCC1CC1 ZINC000224524138 388666026 /nfs/dbraw/zinc/66/60/26/388666026.db2.gz CRZOYMARSCKMHT-UHFFFAOYSA-N 0 3 209.293 0.936 20 0 BCADHN CC[C@@H](C)CN(C)[C@H](C)C(=O)NCC(=O)OC ZINC000247747400 388669061 /nfs/dbraw/zinc/66/90/61/388669061.db2.gz YIIKMESLNAFPSH-NXEZZACHSA-N 0 3 244.335 0.642 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000191824005 388670767 /nfs/dbraw/zinc/67/07/67/388670767.db2.gz TYVXKOCWHZOHBC-MNOVXSKESA-N 0 3 228.336 0.415 20 0 BCADHN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](C)N)C1(C)C ZINC000161554639 388671303 /nfs/dbraw/zinc/67/13/03/388671303.db2.gz SSDOATABEPDFPL-KXUCPTDWSA-N 0 3 228.336 0.996 20 0 BCADHN CN(C)[C@H]1CN(C(=O)C[C@@H]2C=CCC2)C[C@@H]1O ZINC000552157282 388672793 /nfs/dbraw/zinc/67/27/93/388672793.db2.gz KMJNCLMGTOECAA-WOPDTQHZSA-N 0 3 238.331 0.476 20 0 BCADHN CN1C[C@@H](NCc2ccc3[nH]cnc3c2)CC1=O ZINC000538404704 388686275 /nfs/dbraw/zinc/68/62/75/388686275.db2.gz OTZRJBFNKHHSIE-JTQLQIEISA-N 0 3 244.298 0.883 20 0 BCADHN CN1C[C@@H](NCc2ccc3nc[nH]c3c2)CC1=O ZINC000538404704 388686277 /nfs/dbraw/zinc/68/62/77/388686277.db2.gz OTZRJBFNKHHSIE-JTQLQIEISA-N 0 3 244.298 0.883 20 0 BCADHN CN(C(=O)CCOC1CNC1)C1CCC1 ZINC000261546321 135238753 /nfs/dbraw/zinc/23/87/53/135238753.db2.gz KUKZUXZOQUILCC-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC000522011711 388675241 /nfs/dbraw/zinc/67/52/41/388675241.db2.gz QQYBEFYLQUMCRX-UWVGGRQHSA-N 0 3 242.319 0.396 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1CC[C@](C)(O)C1 ZINC000248367720 388676197 /nfs/dbraw/zinc/67/61/97/388676197.db2.gz UJJDEVATDCCCBF-JQWIXIFHSA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@H](COC)C1 ZINC000225441805 388679749 /nfs/dbraw/zinc/67/97/49/388679749.db2.gz BZGTUPCOUUZEGY-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1C[C@H](OC)C1(C)C ZINC000225549758 388680655 /nfs/dbraw/zinc/68/06/55/388680655.db2.gz GPQLFHJOQYPXGW-CIUDSAMLSA-N 0 3 214.309 0.653 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)C(C)(C)N)C1(C)C ZINC000225547193 388680685 /nfs/dbraw/zinc/68/06/85/388680685.db2.gz YWMVGHFQQHKDOR-YUMQZZPRSA-N 0 3 214.309 0.653 20 0 BCADHN CNC(=O)NC(=O)CN(C)[C@H]1CCCC[C@H]1C ZINC000192625197 388680840 /nfs/dbraw/zinc/68/08/40/388680840.db2.gz FETPTNKTHYVJCH-ZJUUUORDSA-N 0 3 241.335 0.953 20 0 BCADHN Cc1nc(CCN(C)CCC2(O)CC2)no1 ZINC000552212820 388682523 /nfs/dbraw/zinc/68/25/23/388682523.db2.gz VYSMJEAIUKXMFO-UHFFFAOYSA-N 0 3 225.292 0.767 20 0 BCADHN CC[C@@H](C)N1CCN(C(=O)CN(C)C)CC1 ZINC000192721021 388682715 /nfs/dbraw/zinc/68/27/15/388682715.db2.gz LPOWTNHJXSDNBR-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cnsn2)[C@H]1C ZINC000261549679 388618876 /nfs/dbraw/zinc/61/88/76/388618876.db2.gz OYZLUTXEVLCAPQ-RQJHMYQMSA-N 0 3 226.305 0.361 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cnsn1 ZINC000261549677 388619301 /nfs/dbraw/zinc/61/93/01/388619301.db2.gz OYZLUTXEVLCAPQ-NKWVEPMBSA-N 0 3 226.305 0.361 20 0 BCADHN C[C@H](CO)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC000521640923 388621883 /nfs/dbraw/zinc/62/18/83/388621883.db2.gz IWRKGFFAVVFEMZ-NXEZZACHSA-N 0 3 214.309 0.167 20 0 BCADHN CC(C)n1cc(CNC[C@H]2COCCN2)cn1 ZINC000530180639 388622660 /nfs/dbraw/zinc/62/26/60/388622660.db2.gz BAHAFCBSMDJLSZ-LBPRGKRZSA-N 0 3 238.335 0.542 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@H]([C@H](C)O)C1 ZINC000246206097 388622860 /nfs/dbraw/zinc/62/28/60/388622860.db2.gz WDIIJAHDWCLGPW-UTLUCORTSA-N 0 3 214.309 0.166 20 0 BCADHN CN(C[C@@H]1CCN(C)C1)C(=O)c1nncs1 ZINC000530183851 388623718 /nfs/dbraw/zinc/62/37/18/388623718.db2.gz GGFSTBBTONMDSS-MRVPVSSYSA-N 0 3 240.332 0.562 20 0 BCADHN Cc1n[nH]c(C)c1CNCC(C)(C)OCCO ZINC000288463018 388627235 /nfs/dbraw/zinc/62/72/35/388627235.db2.gz OFXKERUVJPJZFC-UHFFFAOYSA-N 0 3 241.335 0.904 20 0 BCADHN CCOCCOCC(=O)NC[C@@H]1CCCN1C ZINC000139131740 388627863 /nfs/dbraw/zinc/62/78/63/388627863.db2.gz XMBWLXGGTBDOSK-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CCOCCNC(=O)CN1CC[C@H](C)[C@H]1C ZINC000246289459 388628864 /nfs/dbraw/zinc/62/88/64/388628864.db2.gz ADOGDQYGIFCWDQ-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](NC[C@@H]1COCCN1)c1ccccn1 ZINC000530218599 388631921 /nfs/dbraw/zinc/63/19/21/388631921.db2.gz DFPMIKCHKFOIIK-GHMZBOCLSA-N 0 3 221.304 0.721 20 0 BCADHN COC[C@@H](C)N1CCN(C[C@H](C)O)CC1 ZINC000189389829 388633519 /nfs/dbraw/zinc/63/35/19/388633519.db2.gz GRXPINAYWOAPBR-MNOVXSKESA-N 0 3 216.325 0.020 20 0 BCADHN C[C@@H](NC[C@@H]1COCCN1)c1ccc(F)cn1 ZINC000530224483 388634081 /nfs/dbraw/zinc/63/40/81/388634081.db2.gz KFYNNHCJBCQLIV-MWLCHTKSSA-N 0 3 239.294 0.860 20 0 BCADHN C[C@@H](NC[C@@H]1COCCN1)c1cncc(F)c1 ZINC000530223166 388634136 /nfs/dbraw/zinc/63/41/36/388634136.db2.gz OZBAMSCCRTXZFL-BXKDBHETSA-N 0 3 239.294 0.860 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC[C@@H]1COCCN1 ZINC000530224154 388634296 /nfs/dbraw/zinc/63/42/96/388634296.db2.gz QXZMQZDEVDNAEJ-MWLCHTKSSA-N 0 3 238.335 0.368 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@H]1COCCN1 ZINC000530226775 388635754 /nfs/dbraw/zinc/63/57/54/388635754.db2.gz YQTRRKKXHJJTRS-WPRPVWTQSA-N 0 3 224.308 0.357 20 0 BCADHN C[C@@H](NC[C@@H]1COCCN1)c1cn[nH]c1 ZINC000530225687 388635768 /nfs/dbraw/zinc/63/57/68/388635768.db2.gz MTSBQILNYIVVFM-PSASIEDQSA-N 0 3 210.281 0.049 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1)c1ccco1 ZINC000530225409 388635855 /nfs/dbraw/zinc/63/58/55/388635855.db2.gz ZMMAMVKRZMIWHL-ZJUUUORDSA-N 0 3 210.277 0.919 20 0 BCADHN O[C@H](CNCC12CC(C1)CO2)C(F)(F)F ZINC000530242050 388637788 /nfs/dbraw/zinc/63/77/88/388637788.db2.gz LPSGECJKQQTIMS-ZUEIMRROSA-N 0 3 225.210 0.678 20 0 BCADHN CN(C(=O)CNCC1CC1)c1ccn(C)n1 ZINC000521877017 388638345 /nfs/dbraw/zinc/63/83/45/388638345.db2.gz QNMGBYSICGXYJF-UHFFFAOYSA-N 0 3 222.292 0.383 20 0 BCADHN CC(C)n1nccc1CNC[C@@H]1COCCN1 ZINC000530246064 388638639 /nfs/dbraw/zinc/63/86/39/388638639.db2.gz AKIRGDYZDQFIJM-LLVKDONJSA-N 0 3 238.335 0.542 20 0 BCADHN COC[C@H](NCC(=O)N(C)C)C(C)C ZINC000083399674 388638970 /nfs/dbraw/zinc/63/89/70/388638970.db2.gz KAYXBXPIRPDUBI-VIFPVBQESA-N 0 3 202.298 0.335 20 0 BCADHN CS[C@H]1CN(c2cccnn2)C[C@H]1N(C)C ZINC000551891314 388644886 /nfs/dbraw/zinc/64/48/86/388644886.db2.gz DSJKWNMEERTDRO-ZJUUUORDSA-N 0 3 238.360 0.958 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246622556 388645960 /nfs/dbraw/zinc/64/59/60/388645960.db2.gz KAEUANDPLNFNAE-QEYWKRMJSA-N 0 3 212.293 0.407 20 0 BCADHN CO[C@H](C)CN(C)[C@H](C)C[S@@](C)=O ZINC000248604102 388685172 /nfs/dbraw/zinc/68/51/72/388685172.db2.gz DYQKQIZQQZLWIV-JRKPZEMJSA-N 0 3 207.339 0.720 20 0 BCADHN COC(=O)[C@H]1CCCCN1C(=O)CNC(C)C ZINC000037804408 388648186 /nfs/dbraw/zinc/64/81/86/388648186.db2.gz GDMVSTJPWHWYKN-SNVBAGLBSA-N 0 3 242.319 0.539 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCn1ccnc1C ZINC000261554918 388648273 /nfs/dbraw/zinc/64/82/73/388648273.db2.gz PKDYQDZLDOVPLM-LBPRGKRZSA-N 0 3 238.335 0.825 20 0 BCADHN CC[C@@H]1CN(C(=O)c2nccc(C)n2)C[C@H](C)N1 ZINC000620897824 388652186 /nfs/dbraw/zinc/65/21/86/388652186.db2.gz BZUAUGXFZQKDRW-WDEREUQCSA-N 0 3 248.330 0.998 20 0 BCADHN CCCN(C(=O)[C@H](C)O)[C@H]1CCN(C)C1 ZINC000648997557 388685649 /nfs/dbraw/zinc/68/56/49/388685649.db2.gz SGENKQZOELUZBB-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN CO[C@H](C)CNC(=O)[C@@H]1CCCCN1 ZINC000223750911 388658432 /nfs/dbraw/zinc/65/84/32/388658432.db2.gz RINNWUUPHXYLAC-BDAKNGLRSA-N 0 3 200.282 0.280 20 0 BCADHN CC(C)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000552026892 388661383 /nfs/dbraw/zinc/66/13/83/388661383.db2.gz JQEPPABMFONYTN-LBPRGKRZSA-N 0 3 226.320 0.215 20 0 BCADHN CC[C@H]1CN(C)CCN1CCn1cccn1 ZINC000552849472 388738729 /nfs/dbraw/zinc/73/87/29/388738729.db2.gz MZXHEZHUHXEHGL-LBPRGKRZSA-N 0 3 222.336 0.909 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCn1cccn1 ZINC000552849469 388738895 /nfs/dbraw/zinc/73/88/95/388738895.db2.gz MZXHEZHUHXEHGL-GFCCVEGCSA-N 0 3 222.336 0.909 20 0 BCADHN COC[C@H](C)CNC(=O)NC[C@@H]1CCCN1C ZINC000194690053 388739474 /nfs/dbraw/zinc/73/94/74/388739474.db2.gz NBWSEJFVIHHVDC-MNOVXSKESA-N 0 3 243.351 0.662 20 0 BCADHN CC(=O)N(C[C@H]1CCCN1CCCO)C1CC1 ZINC000328633176 388739950 /nfs/dbraw/zinc/73/99/50/388739950.db2.gz LVTVQWJHASGIKF-CYBMUJFWSA-N 0 3 240.347 0.844 20 0 BCADHN COC[C@@H](C)CNC(=O)NC[C@H]1CCCN1C ZINC000194690073 388739956 /nfs/dbraw/zinc/73/99/56/388739956.db2.gz NBWSEJFVIHHVDC-WDEREUQCSA-N 0 3 243.351 0.662 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CCCN2C)n(C)n1 ZINC000194691496 388740113 /nfs/dbraw/zinc/74/01/13/388740113.db2.gz RCLRTJSJPLAHDP-JTQLQIEISA-N 0 3 236.319 0.553 20 0 BCADHN C[C@H](C(=O)NC[C@H]1CCCN1C)n1cncn1 ZINC000194708791 388740808 /nfs/dbraw/zinc/74/08/08/388740808.db2.gz WXYMOYPBYHFBCK-NXEZZACHSA-N 0 3 237.307 0.050 20 0 BCADHN CN1CCC[C@H]1CNC(=O)C1CCOCC1 ZINC000194728260 388740922 /nfs/dbraw/zinc/74/09/22/388740922.db2.gz XJOXGEVDXBXAEM-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000227322440 388747720 /nfs/dbraw/zinc/74/77/20/388747720.db2.gz MDVHGTSSERRUHG-XWLWVQCSSA-N 0 3 228.336 0.780 20 0 BCADHN CC(C(=O)NCCCC1CC1)S(C)(=O)=O ZINC000128321876 388748295 /nfs/dbraw/zinc/74/82/95/388748295.db2.gz UJFQGXPGJDBLME-MRVPVSSYSA-N 0 3 233.333 0.726 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccccc1C ZINC000227345665 388748623 /nfs/dbraw/zinc/74/86/23/388748623.db2.gz NOSVECJSKJZGCI-JTQLQIEISA-N 0 3 208.261 0.907 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1cccs1 ZINC000227347840 388748760 /nfs/dbraw/zinc/74/87/60/388748760.db2.gz URMXDFJCQFDQIE-QMMMGPOBSA-N 0 3 214.290 0.338 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cccc(F)c1 ZINC000227344449 388748844 /nfs/dbraw/zinc/74/88/44/388748844.db2.gz LUKIWRVZWLQWKP-VIFPVBQESA-N 0 3 212.224 0.738 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1nc(C)cs1 ZINC000227370446 388749020 /nfs/dbraw/zinc/74/90/20/388749020.db2.gz KINUPCJNZSSOCA-ZETCQYMHSA-N 0 3 229.305 0.041 20 0 BCADHN CO[C@@H](CN)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000227344937 388749209 /nfs/dbraw/zinc/74/92/09/388749209.db2.gz LUXPZHOHIFJOLW-AEJSXWLSSA-N 0 3 214.309 0.465 20 0 BCADHN C[C@@H](CO)NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000539167126 388749330 /nfs/dbraw/zinc/74/93/30/388749330.db2.gz KKWDNDDXYYDUPW-IVZWLZJFSA-N 0 3 229.324 0.149 20 0 BCADHN CO[C@H](CN)C(=O)NC1(C)CCCCC1 ZINC000227379372 388749891 /nfs/dbraw/zinc/74/98/91/388749891.db2.gz JXXHSEBEXMAABV-SECBINFHSA-N 0 3 214.309 0.799 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)Cc1cscn1 ZINC000227378690 388749998 /nfs/dbraw/zinc/74/99/98/388749998.db2.gz DZFYGXAAAPCZEV-QMMMGPOBSA-N 0 3 229.305 0.075 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)CC1CCCC1 ZINC000227383848 388750158 /nfs/dbraw/zinc/75/01/58/388750158.db2.gz FTHIBROMTHBTGI-JTQLQIEISA-N 0 3 214.309 0.609 20 0 BCADHN CCN(CC1CC1)C(=O)[C@@H](CN)OC ZINC000227384827 388750286 /nfs/dbraw/zinc/75/02/86/388750286.db2.gz UIYBJCSHAZPGBM-SECBINFHSA-N 0 3 200.282 0.219 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)CC(C)(C)O)C1 ZINC000553163651 388750855 /nfs/dbraw/zinc/75/08/55/388750855.db2.gz YIKJDCWBWWZVQA-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@H](C)N1CCCN(CCOC)C(=O)C1 ZINC000192843596 388687100 /nfs/dbraw/zinc/68/71/00/388687100.db2.gz ZBFMLVDXFHYTTI-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H]1CN(CCN(C)CC2(CO)CC2)CCO1 ZINC000192840422 388687294 /nfs/dbraw/zinc/68/72/94/388687294.db2.gz ZTVUQZVBSSIFCI-GFCCVEGCSA-N 0 3 242.363 0.411 20 0 BCADHN CC(C(=O)NC1(C)CCC1)S(C)(=O)=O ZINC000126035026 388687582 /nfs/dbraw/zinc/68/75/82/388687582.db2.gz VPWXUGZKHXQTHZ-SSDOTTSWSA-N 0 3 219.306 0.478 20 0 BCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(C)(C)O ZINC000248678810 388689115 /nfs/dbraw/zinc/68/91/15/388689115.db2.gz VFXWPFDULWSMFM-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN CCCN(C(=O)CN(C)C)[C@H]1CCN(C)C1 ZINC000649000260 388689417 /nfs/dbraw/zinc/68/94/17/388689417.db2.gz SAYSILPPFKJQPQ-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N(C)CC(C)C ZINC000342749582 135311584 /nfs/dbraw/zinc/31/15/84/135311584.db2.gz KQEUNVRGAYMFEJ-SECBINFHSA-N 0 3 230.308 0.381 20 0 BCADHN CC[C@H](C(=O)N(C)C[C@@H]1CCOC1)N(C)C ZINC000126462407 388695965 /nfs/dbraw/zinc/69/59/65/388695965.db2.gz OKZCYWATQUFUAH-WDEREUQCSA-N 0 3 228.336 0.822 20 0 BCADHN CCCCCOCC(=O)NCCN(C)C ZINC000195110497 388696070 /nfs/dbraw/zinc/69/60/70/388696070.db2.gz OJMQVBDFQVMDAN-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN CCCN(C(=O)COCC)[C@H]1CCN(C)C1 ZINC000649004988 388698843 /nfs/dbraw/zinc/69/88/43/388698843.db2.gz MKDJCEDFHNZFLU-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN COC[C@H](CNCc1cnn(C)c1)OC ZINC000227705508 388755991 /nfs/dbraw/zinc/75/59/91/388755991.db2.gz KUEXRMZWDQXJQU-JTQLQIEISA-N 0 3 213.281 0.171 20 0 BCADHN CCc1nnc(NC(=O)[C@H]2CCN(C)C2)s1 ZINC000522146276 388705721 /nfs/dbraw/zinc/70/57/21/388705721.db2.gz WKEVEXAGOYCEBP-ZETCQYMHSA-N 0 3 240.332 0.991 20 0 BCADHN CC[C@](C)(NC[C@@H]1CC[C@@H](C)O1)C(N)=O ZINC000249043871 388706012 /nfs/dbraw/zinc/70/60/12/388706012.db2.gz HCIATOQGHAIOSD-YWVKMMECSA-N 0 3 214.309 0.798 20 0 BCADHN Cc1nn(C)cc1CN(C[C@H](C)O)[C@H](C)CO ZINC000249064959 388706374 /nfs/dbraw/zinc/70/63/74/388706374.db2.gz INADBCRAJVCBEH-ZJUUUORDSA-N 0 3 241.335 0.292 20 0 BCADHN C[S@](=O)CCCNCc1ccc(CO)o1 ZINC000126878749 388707752 /nfs/dbraw/zinc/70/77/52/388707752.db2.gz UEWZCQZNZOZQFK-OAHLLOKOSA-N 0 3 231.317 0.630 20 0 BCADHN COC(=O)CCN1CC[C@@H](O)[C@H](C)C1 ZINC000249211906 388713028 /nfs/dbraw/zinc/71/30/28/388713028.db2.gz AOZQHTHACKEUOD-RKDXNWHRSA-N 0 3 201.266 0.252 20 0 BCADHN c1nc(CN2CCN3CCC[C@H]3C2)co1 ZINC000249311383 388716887 /nfs/dbraw/zinc/71/68/87/388716887.db2.gz OHFUWYBTWQEJJB-NSHDSACASA-N 0 3 207.277 0.955 20 0 BCADHN O=C1CNC(=O)N1CCCN1CCCC1 ZINC000066411075 388717840 /nfs/dbraw/zinc/71/78/40/388717840.db2.gz BVCWHNVNZXKBDQ-UHFFFAOYSA-N 0 3 211.265 0.024 20 0 BCADHN CC[C@H](O)CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000249389319 388719014 /nfs/dbraw/zinc/71/90/14/388719014.db2.gz QMIOICWVIRONHS-NEPJUHHUSA-N 0 3 244.379 0.534 20 0 BCADHN CCN(CC)C(=O)[C@H]1CCCN1C[C@H](C)O ZINC000249442908 388721537 /nfs/dbraw/zinc/72/15/37/388721537.db2.gz FPSCHXPPEBKQMK-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN COCCN(C)C[C@H](O)COC1CCOCC1 ZINC000127408786 388722790 /nfs/dbraw/zinc/72/27/90/388722790.db2.gz RQRNMUNDRQAMFI-NSHDSACASA-N 0 3 247.335 0.121 20 0 BCADHN CCN(CC(=O)N1CCOCC1)C(C)C ZINC000194085963 388723399 /nfs/dbraw/zinc/72/33/99/388723399.db2.gz LVBVITWDHQMQQH-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN CCCN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000249500431 388724030 /nfs/dbraw/zinc/72/40/30/388724030.db2.gz IIZJLAJXASJDBC-GHMZBOCLSA-N 0 3 200.326 0.783 20 0 BCADHN CCOCCN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000249516692 388725148 /nfs/dbraw/zinc/72/51/48/388725148.db2.gz RMMQKQCELQDGFG-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)Cn1cncn1 ZINC000127532718 388725538 /nfs/dbraw/zinc/72/55/38/388725538.db2.gz HSJJNKBRKPNFTR-SNVBAGLBSA-N 0 3 239.323 0.123 20 0 BCADHN COCCO[C@@H]1CCN(C[C@H](C)O)C1 ZINC000249529422 388725635 /nfs/dbraw/zinc/72/56/35/388725635.db2.gz JHEMBNPUYKOOCU-VHSXEESVSA-N 0 3 203.282 0.105 20 0 BCADHN C[C@@H]1CC[C@H](CN[C@@H]2C(=O)NCC[C@H]2C)O1 ZINC000249530906 388726146 /nfs/dbraw/zinc/72/61/46/388726146.db2.gz JLCFILRBRBXULT-DBIOUOCHSA-N 0 3 226.320 0.668 20 0 BCADHN COCCCN1CCN(C[C@H](C)O)C[C@H]1C ZINC000249524651 388726179 /nfs/dbraw/zinc/72/61/79/388726179.db2.gz XLKSUSTZEMJRMG-NEPJUHHUSA-N 0 3 230.352 0.410 20 0 BCADHN COCCOCCC(=O)NC1CCN(C)CC1 ZINC000194207775 388726517 /nfs/dbraw/zinc/72/65/17/388726517.db2.gz PKEBITQPIZUQGT-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN CCN(C)CCNC(=O)NCCCCOC ZINC000067002540 388727204 /nfs/dbraw/zinc/72/72/04/388727204.db2.gz PDNUZDVOSILMLM-UHFFFAOYSA-N 0 3 231.340 0.664 20 0 BCADHN COCCCN1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249558020 388727250 /nfs/dbraw/zinc/72/72/50/388727250.db2.gz KOKIDYMIEFJEDL-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@H]1COCCN1CCN1CCCC[C@H]1CO ZINC000249547496 388727272 /nfs/dbraw/zinc/72/72/72/388727272.db2.gz KIWGNJVHHPLZSQ-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN CCOCCN1CCN(CCO)[C@@H](C)C1 ZINC000249587650 388729627 /nfs/dbraw/zinc/72/96/27/388729627.db2.gz UJROCFAIEATAFS-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN C[C@H]1COCCN1CCN1CC[C@](C)(O)C1 ZINC000249656477 388730830 /nfs/dbraw/zinc/73/08/30/388730830.db2.gz ZQAJBRWTRCEEPI-RYUDHWBXSA-N 0 3 228.336 0.164 20 0 BCADHN CN(C)CCN(C)C(=O)C1CCC(O)CC1 ZINC000194375936 388731107 /nfs/dbraw/zinc/73/11/07/388731107.db2.gz FUXVFIZIDPEJAQ-UHFFFAOYSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@@H](O)CN1CCN(C)[C@H](C)[C@@H]1C ZINC000540042965 388793322 /nfs/dbraw/zinc/79/33/22/388793322.db2.gz MNPIWKBDKUGMBJ-OUAUKWLOSA-N 0 3 200.326 0.782 20 0 BCADHN COCCOCCN1CC[C@@H](O)[C@@H](C)C1 ZINC000229576204 388795429 /nfs/dbraw/zinc/79/54/29/388795429.db2.gz CUOOLHBECIJQRD-WDEREUQCSA-N 0 3 217.309 0.352 20 0 BCADHN Cn1nccc1CNCC(C)(C)OCCO ZINC000288553580 388796346 /nfs/dbraw/zinc/79/63/46/388796346.db2.gz XYMOHDSQMOIJCV-UHFFFAOYSA-N 0 3 227.308 0.297 20 0 BCADHN CCN(C)C(=O)CN[C@H](C)[C@H](C)OC ZINC000229586521 388796386 /nfs/dbraw/zinc/79/63/86/388796386.db2.gz HJFQFFCHVZYQGL-BDAKNGLRSA-N 0 3 202.298 0.478 20 0 BCADHN CCN(CC)CC(=O)NCCCCC(N)=O ZINC000540117083 388796430 /nfs/dbraw/zinc/79/64/30/388796430.db2.gz CHUJKYYSLKVEHU-UHFFFAOYSA-N 0 3 229.324 0.100 20 0 BCADHN CC(C)[C@](C)(O)CNCc1ccnn1C ZINC000128847923 388800206 /nfs/dbraw/zinc/80/02/06/388800206.db2.gz IZTFGTUPVKLLMH-LLVKDONJSA-N 0 3 211.309 0.917 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCC[C@@H](C)O ZINC000228035504 388765587 /nfs/dbraw/zinc/76/55/87/388765587.db2.gz BRSLJDOGJPNWQJ-NXEZZACHSA-N 0 3 237.365 0.560 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCCC[C@H](C)O ZINC000228035536 388765930 /nfs/dbraw/zinc/76/59/30/388765930.db2.gz BRSLJDOGJPNWQJ-UWVGGRQHSA-N 0 3 237.365 0.560 20 0 BCADHN COCC[C@@H](CO)NCc1ccn(C)c1 ZINC000282339710 135371480 /nfs/dbraw/zinc/37/14/80/135371480.db2.gz UXMQBFYLKZXSON-NSHDSACASA-N 0 3 212.293 0.512 20 0 BCADHN CNC(=O)[C@@H]1CCCN(Cc2cnoc2C)C1 ZINC000128607039 388776068 /nfs/dbraw/zinc/77/60/68/388776068.db2.gz LGUKPPJIGHNJRV-SNVBAGLBSA-N 0 3 237.303 0.941 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1CC[C@H](O)CC1 ZINC000252730787 388776673 /nfs/dbraw/zinc/77/66/73/388776673.db2.gz MXPSGWSRMOJACE-DCAQKATOSA-N 0 3 249.376 0.703 20 0 BCADHN CCN1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)C2)C1 ZINC000648743690 388781542 /nfs/dbraw/zinc/78/15/42/388781542.db2.gz OBPKFPULZAUYFP-WDEREUQCSA-N 0 3 238.331 0.814 20 0 BCADHN OCCCN(CCO)Cc1ccc2[nH]cnc2c1 ZINC000539830323 388783421 /nfs/dbraw/zinc/78/34/21/388783421.db2.gz KWANHHHIVSIBDT-UHFFFAOYSA-N 0 3 249.314 0.740 20 0 BCADHN OCCCN(CCO)Cc1ccc2nc[nH]c2c1 ZINC000539830323 388783425 /nfs/dbraw/zinc/78/34/25/388783425.db2.gz KWANHHHIVSIBDT-UHFFFAOYSA-N 0 3 249.314 0.740 20 0 BCADHN CC[C@H]1CCCN([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000128696924 388785427 /nfs/dbraw/zinc/78/54/27/388785427.db2.gz VUVKENUPKNLNNQ-VHSXEESVSA-N 0 3 224.304 0.866 20 0 BCADHN CCN(C)C(=O)N(CCN(C)C)CCN(C)C ZINC000553816425 388790720 /nfs/dbraw/zinc/79/07/20/388790720.db2.gz QTOSELGVOVMCNA-UHFFFAOYSA-N 0 3 244.383 0.483 20 0 BCADHN CCCC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649081228 388791134 /nfs/dbraw/zinc/79/11/34/388791134.db2.gz PZRIZQCUTQPTNG-JTQLQIEISA-N 0 3 241.335 0.365 20 0 BCADHN CO[C@@H]1CN(CCCNC(C)=O)CC[C@@H]1C ZINC000253340954 388814980 /nfs/dbraw/zinc/81/49/80/388814980.db2.gz MNUSXIFSAHZYFY-CMPLNLGQSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](CO)CCCNCc1cn(C)nn1 ZINC000230158853 388817119 /nfs/dbraw/zinc/81/71/19/388817119.db2.gz JECHBMGSAQDIKG-VIFPVBQESA-N 0 3 212.297 0.313 20 0 BCADHN C[C@@H](CO)CCCNCc1nccn1C ZINC000230157535 388818251 /nfs/dbraw/zinc/81/82/51/388818251.db2.gz NBDBAYYBLQTVNX-SNVBAGLBSA-N 0 3 211.309 0.918 20 0 BCADHN C[C@@H](CO)CCCNCc1cnnn1C ZINC000230160637 388818289 /nfs/dbraw/zinc/81/82/89/388818289.db2.gz CQORQRYLJSCPMB-SECBINFHSA-N 0 3 212.297 0.313 20 0 BCADHN CCNS(=O)(=O)[C@H]1CCN(C(C)C)C1 ZINC000092843358 388818654 /nfs/dbraw/zinc/81/86/54/388818654.db2.gz BAAHXLCYJYEDEU-VIFPVBQESA-N 0 3 220.338 0.408 20 0 BCADHN CN1CCC[C@@H](N2CCC[C@@](C)(O)C2)C1=O ZINC000540911867 388822632 /nfs/dbraw/zinc/82/26/32/388822632.db2.gz UXYFRPDSWORSQS-ZYHUDNBSSA-N 0 3 226.320 0.454 20 0 BCADHN COC[C@@H]1CCN([C@@H]2CCCN(C)C2=O)C1 ZINC000540908118 388823362 /nfs/dbraw/zinc/82/33/62/388823362.db2.gz UZABIZUDHVWCFQ-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN CN1CCC[C@@H](N2CCC[C@H](CO)C2)C1=O ZINC000540902197 388824587 /nfs/dbraw/zinc/82/45/87/388824587.db2.gz LMNMEQMOCVFHSP-WDEREUQCSA-N 0 3 226.320 0.312 20 0 BCADHN COC(C)(C)CN(C)[C@H]1CCCN(C)C1=O ZINC000540908525 388825313 /nfs/dbraw/zinc/82/53/13/388825313.db2.gz BOLDIJGREFKWRA-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)OCCN1CC[C@@H](CO)[C@H](O)C1 ZINC000554740211 388829559 /nfs/dbraw/zinc/82/95/59/388829559.db2.gz CEMCJDHEXYENMC-WDEREUQCSA-N 0 3 217.309 0.087 20 0 BCADHN CCCCOCCN1CC[C@@H](CO)[C@H](O)C1 ZINC000554740219 388829811 /nfs/dbraw/zinc/82/98/11/388829811.db2.gz CNYWAARNIYMLGZ-NWDGAFQWSA-N 0 3 231.336 0.478 20 0 BCADHN CC[C@@H](N)C(=O)NCCCOCC(F)(F)F ZINC000129289918 388829976 /nfs/dbraw/zinc/82/99/76/388829976.db2.gz FRGJDDVAJGBXFX-SSDOTTSWSA-N 0 3 242.241 0.809 20 0 BCADHN COC(=O)CCN1CC[C@@H](c2nccn2C)C1 ZINC000540964649 388831464 /nfs/dbraw/zinc/83/14/64/388831464.db2.gz QVVBJTJCMGLDSZ-SNVBAGLBSA-N 0 3 237.303 0.773 20 0 BCADHN Cn1nccc1CCN1CC[C@](C)(O)C1 ZINC000230943512 388832138 /nfs/dbraw/zinc/83/21/38/388832138.db2.gz BOYCZTBAMZZYBV-NSHDSACASA-N 0 3 209.293 0.419 20 0 BCADHN Cc1cc(CN[C@@H]2CCC[C@@H]2CO)n(C)n1 ZINC000231309057 388837155 /nfs/dbraw/zinc/83/71/55/388837155.db2.gz WRDPPEHMQCMHRY-ZYHUDNBSSA-N 0 3 223.320 0.979 20 0 BCADHN CC[C@@H](N)C(=O)NCC(=O)Nc1ccccc1 ZINC000129421948 388840382 /nfs/dbraw/zinc/84/03/82/388840382.db2.gz AWHDUMPAQBRGCO-SNVBAGLBSA-N 0 3 235.287 0.479 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)[C@@H](C)OC ZINC000129563908 388853407 /nfs/dbraw/zinc/85/34/07/388853407.db2.gz LJYAAHCJTSBUNS-OPRDCNLKSA-N 0 3 237.365 0.823 20 0 BCADHN COC1(C(=O)NCCN(C)C)CCCC1 ZINC000555548418 388853500 /nfs/dbraw/zinc/85/35/00/388853500.db2.gz MGNUYLJMUBRZTP-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CN1CCN(C(=O)Cc2ccn[nH]2)CC1(C)C ZINC000555543965 388854007 /nfs/dbraw/zinc/85/40/07/388854007.db2.gz JBZQRDMRJKAEHU-UHFFFAOYSA-N 0 3 236.319 0.505 20 0 BCADHN COC1(C(=O)NC[C@@H](C)N2CCCC2)CC1 ZINC000648770678 388858879 /nfs/dbraw/zinc/85/88/79/388858879.db2.gz WNBUZLNEWAFMBA-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H](C[C@H](C)O)N[C@@H](C)CS(C)(=O)=O ZINC000164628525 135431482 /nfs/dbraw/zinc/43/14/82/135431482.db2.gz ZSHKZGZQZGVLEC-VGMNWLOBSA-N 0 3 223.338 0.169 20 0 BCADHN CC[C@H](O)CN1CCC[C@@H](N2CCCC2=O)C1 ZINC000304067682 388862530 /nfs/dbraw/zinc/86/25/30/388862530.db2.gz ULMLFELEVIJZCS-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](O)[C@H]1CCN([C@@H]2CCCN(C)C2=O)C1 ZINC000541881057 388872409 /nfs/dbraw/zinc/87/24/09/388872409.db2.gz YXQJDTJEWBBRNJ-GARJFASQSA-N 0 3 226.320 0.310 20 0 BCADHN CC[C@@H]1COCCN1C(=O)CN1CC[C@@H](C)C1 ZINC000564736884 388886994 /nfs/dbraw/zinc/88/69/94/388886994.db2.gz PTGCHBUSDUZQJO-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@H](CN)C(=O)N(C)[C@H](C)c1cccnc1 ZINC000564837537 388893209 /nfs/dbraw/zinc/89/32/09/388893209.db2.gz HHCMKKKRFYDFOP-MWLCHTKSSA-N 0 3 237.303 0.575 20 0 BCADHN CN(C[C@@H](O)CNCc1nccs1)C1CC1 ZINC000564842646 388893229 /nfs/dbraw/zinc/89/32/29/388893229.db2.gz GUYNRPRJXWYWGB-JTQLQIEISA-N 0 3 241.360 0.688 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)[C@H](C)c1cccnc1 ZINC000564837536 388893513 /nfs/dbraw/zinc/89/35/13/388893513.db2.gz HHCMKKKRFYDFOP-KOLCDFICSA-N 0 3 237.303 0.575 20 0 BCADHN CCN(C)CCNC(=O)NC[C@@H](C)COC ZINC000194836645 388894213 /nfs/dbraw/zinc/89/42/13/388894213.db2.gz UQELNAUSAUREPS-SNVBAGLBSA-N 0 3 231.340 0.520 20 0 BCADHN Cc1ccc(CNC[C@H](C)O)c(=O)n1C ZINC000564864455 388895027 /nfs/dbraw/zinc/89/50/27/388895027.db2.gz QOROFAKRCZORTQ-VIFPVBQESA-N 0 3 210.277 0.164 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@@H](O)C(F)(F)F ZINC000564880884 388896279 /nfs/dbraw/zinc/89/62/79/388896279.db2.gz GWOWXLNSNCOAKK-RKDXNWHRSA-N 0 3 240.269 0.936 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)COCC(F)(F)F ZINC000564914424 388897164 /nfs/dbraw/zinc/89/71/64/388897164.db2.gz TWXXETMSLSIISQ-RNFRBKRXSA-N 0 3 242.241 0.807 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC000070214777 388876958 /nfs/dbraw/zinc/87/69/58/388876958.db2.gz KXQSNHXLJWOWBE-SNVBAGLBSA-N 0 3 236.319 0.932 20 0 BCADHN O=C(C[C@@H]1CNCCO1)NC1(C2CC2)CC1 ZINC000564991423 388906322 /nfs/dbraw/zinc/90/63/22/388906322.db2.gz UZLLFKKDDHDTKB-SNVBAGLBSA-N 0 3 224.304 0.424 20 0 BCADHN OC[C@@H]1CC[C@H](NC[C@@H](O)C(F)(F)F)C1 ZINC000565304661 388936123 /nfs/dbraw/zinc/93/61/23/388936123.db2.gz VMDUWMPMPIELCT-GJMOJQLCSA-N 0 3 227.226 0.660 20 0 BCADHN COCC[N@H+](CC[C@@H]1CCCN1C)CC(=O)[O-] ZINC000565106158 388915377 /nfs/dbraw/zinc/91/53/77/388915377.db2.gz JDHNLPPUSDWZLP-NSHDSACASA-N 0 3 244.335 0.504 20 0 BCADHN COCC[N@@H+](CC[C@@H]1CCCN1C)CC(=O)[O-] ZINC000565106158 388915379 /nfs/dbraw/zinc/91/53/79/388915379.db2.gz JDHNLPPUSDWZLP-NSHDSACASA-N 0 3 244.335 0.504 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000565138858 388917230 /nfs/dbraw/zinc/91/72/30/388917230.db2.gz MPYMIDYNXWQNEM-LMLFDSFASA-N 0 3 228.336 0.866 20 0 BCADHN O=C1NCC[C@]12CCCN2CCCCO ZINC000565171836 388921786 /nfs/dbraw/zinc/92/17/86/388921786.db2.gz LZSGPAOGUZGAKJ-LLVKDONJSA-N 0 3 212.293 0.113 20 0 BCADHN C[C@@H](O)CCNC(=O)CN1CC[C@H](C)C1 ZINC000565186631 388922833 /nfs/dbraw/zinc/92/28/33/388922833.db2.gz UUAAKTLSYYAXDI-VHSXEESVSA-N 0 3 214.309 0.215 20 0 BCADHN CCN(CCCO)C(=O)CN1CC[C@H](C)C1 ZINC000565191624 388924681 /nfs/dbraw/zinc/92/46/81/388924681.db2.gz PTYJVBPEXHBDLS-NSHDSACASA-N 0 3 228.336 0.559 20 0 BCADHN CCOC[C@H](C)NC1CN(C(C)=O)C1 ZINC000565217845 388927120 /nfs/dbraw/zinc/92/71/20/388927120.db2.gz JWSORDBBOMSIPQ-QMMMGPOBSA-N 0 3 200.282 0.232 20 0 BCADHN CC(=O)N1CC(N[C@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000565218246 388927331 /nfs/dbraw/zinc/92/73/31/388927331.db2.gz MGFZXPSYKKQBID-ZANVPECISA-N 0 3 237.347 0.289 20 0 BCADHN CC(=O)N1CC(N[C@@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000565218244 388927407 /nfs/dbraw/zinc/92/74/07/388927407.db2.gz MGFZXPSYKKQBID-TVQRCGJNSA-N 0 3 237.347 0.289 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1noc2ccccc12 ZINC000565224531 388928301 /nfs/dbraw/zinc/92/83/01/388928301.db2.gz HUUNCEPXIXDHOH-DTWKUNHWSA-N 0 3 231.255 0.791 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc(OC)ccn1 ZINC000565221196 388928358 /nfs/dbraw/zinc/92/83/58/388928358.db2.gz KYIPKGIYTJOTOX-ZETCQYMHSA-N 0 3 209.249 0.637 20 0 BCADHN NCC(=O)NC1CCN(CC(F)(F)F)CC1 ZINC000565658687 388960705 /nfs/dbraw/zinc/96/07/05/388960705.db2.gz CEKGLCDACHBMSV-UHFFFAOYSA-N 0 3 239.241 0.088 20 0 BCADHN CO[C@@H](CN)C(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000565361151 388939620 /nfs/dbraw/zinc/93/96/20/388939620.db2.gz HULLBRSBUGXEIE-VHSXEESVSA-N 0 3 246.351 0.119 20 0 BCADHN NC(=O)[C@@]1(NC[C@@H]2Cc3ccccc32)CCOC1 ZINC000565488274 388948581 /nfs/dbraw/zinc/94/85/81/388948581.db2.gz CTUIGSHJUANNGT-SMDDNHRTSA-N 0 3 246.310 0.560 20 0 BCADHN NCc1cc(C(=O)NCC(F)(F)CN)co1 ZINC000565480890 388949006 /nfs/dbraw/zinc/94/90/06/388949006.db2.gz WXRYXUAGTVLEAX-UHFFFAOYSA-N 0 3 233.218 0.062 20 0 BCADHN OC[C@@H]1CCN(CCCCCF)C[C@@H]1O ZINC000565502527 388949713 /nfs/dbraw/zinc/94/97/13/388949713.db2.gz DGLZUODFZBHSLN-QWRGUYRKSA-N 0 3 219.300 0.801 20 0 BCADHN Cc1nc(CSCCN2CCOCC2)n[nH]1 ZINC000565810194 388969737 /nfs/dbraw/zinc/96/97/37/388969737.db2.gz SOWHMMYIOSQYQQ-UHFFFAOYSA-N 0 3 242.348 0.679 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1cnc(C2CC2)nc1 ZINC000565592474 388955472 /nfs/dbraw/zinc/95/54/72/388955472.db2.gz CBLZFYWESMWAPD-WDEREUQCSA-N 0 3 246.314 0.360 20 0 BCADHN C[C@H](O)[C@H](C)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000565594242 388956064 /nfs/dbraw/zinc/95/60/64/388956064.db2.gz RGOLFOWKSDALSG-ZKKRXERASA-N 0 3 226.320 0.355 20 0 BCADHN C[C@@H](CNC(CO)CO)C(F)(F)F ZINC000565843104 388974293 /nfs/dbraw/zinc/97/42/93/388974293.db2.gz XZXUDFKZUPFPKZ-YFKPBYRVSA-N 0 3 201.188 0.128 20 0 BCADHN CC[C@H](CCO)NC[C@@H](C)S(C)(=O)=O ZINC000565892059 388976642 /nfs/dbraw/zinc/97/66/42/388976642.db2.gz IIFUPQFIDXFLSO-RKDXNWHRSA-N 0 3 223.338 0.170 20 0 BCADHN COC(=O)[C@H](CNC(=O)C(C)(C)N)CC1CC1 ZINC000565899623 388978370 /nfs/dbraw/zinc/97/83/70/388978370.db2.gz TZEXOIRZZKBMGZ-VIFPVBQESA-N 0 3 242.319 0.429 20 0 BCADHN CCN1CC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC000565956309 388981389 /nfs/dbraw/zinc/98/13/89/388981389.db2.gz DVPRKJMMLNYCHF-SNVBAGLBSA-N 0 3 222.292 0.094 20 0 BCADHN c1ncc(CNCCCN2CCC2)cn1 ZINC000565962882 388981425 /nfs/dbraw/zinc/98/14/25/388981425.db2.gz XQTTXKMEFJIHOK-UHFFFAOYSA-N 0 3 206.293 0.662 20 0 BCADHN CNCC(=O)N1CCOc2cc(F)ccc21 ZINC000084782825 132244535 /nfs/dbraw/zinc/24/45/35/132244535.db2.gz NHFXEQGDLVCPQZ-UHFFFAOYSA-N 0 3 224.235 0.771 20 0 BCADHN CC(C)=CC(=O)NCC1(O)CCN(C)CC1 ZINC000266803377 388998169 /nfs/dbraw/zinc/99/81/69/388998169.db2.gz ZSJDRKNCUMBFKP-UHFFFAOYSA-N 0 3 226.320 0.526 20 0 BCADHN Cc1c([C@H](C)N[C@@H](C)CC(N)=O)cnn1C ZINC000267198734 388999809 /nfs/dbraw/zinc/99/98/09/388999809.db2.gz FOBFFSSUIDAKLL-YUMQZZPRSA-N 0 3 224.308 0.643 20 0 BCADHN Cc1cc(C)n(CCN2CC[C@@](C)(O)C2)n1 ZINC000267379169 389000551 /nfs/dbraw/zinc/00/05/51/389000551.db2.gz UOCUPQFKNDVDOW-GFCCVEGCSA-N 0 3 223.320 0.957 20 0 BCADHN Cn1nncc1CNCCCc1nccs1 ZINC000267486022 389001385 /nfs/dbraw/zinc/00/13/85/389001385.db2.gz BONDKZNNIQDPPF-UHFFFAOYSA-N 0 3 237.332 0.994 20 0 BCADHN CCOC[C@@H](O)CN[C@@H](C)c1cnn(CC)c1 ZINC000268954211 389005739 /nfs/dbraw/zinc/00/57/39/389005739.db2.gz DCFGFIKCLKYBQH-JQWIXIFHSA-N 0 3 241.335 0.951 20 0 BCADHN CCOC[C@H](O)CN[C@H](C)c1cnn(CC)c1 ZINC000268954237 389006193 /nfs/dbraw/zinc/00/61/93/389006193.db2.gz DCFGFIKCLKYBQH-ZYHUDNBSSA-N 0 3 241.335 0.951 20 0 BCADHN CC/C=C(\C)C(=O)NC[C@](C)(O)CN(C)C ZINC000269871096 389011142 /nfs/dbraw/zinc/01/11/42/389011142.db2.gz FZKVCDUOMLKFEC-PMDBQALLSA-N 0 3 228.336 0.772 20 0 BCADHN CC[C@H]1CN(Cc2cnn(C)c2)C[C@H]1O ZINC000270835096 389015433 /nfs/dbraw/zinc/01/54/33/389015433.db2.gz DDLDOAOVFHQQKT-WDEREUQCSA-N 0 3 209.293 0.623 20 0 BCADHN Cn1ccc(CNCC2=CCN(C)CC2)n1 ZINC000271828045 389027140 /nfs/dbraw/zinc/02/71/40/389027140.db2.gz OIJVIPWMZFTYRE-UHFFFAOYSA-N 0 3 220.320 0.772 20 0 BCADHN C[C@H](NCCC1OCCO1)c1cn[nH]c1 ZINC000275146923 389054135 /nfs/dbraw/zinc/05/41/35/389054135.db2.gz FVALAFKYLXFAKV-QMMMGPOBSA-N 0 3 211.265 0.823 20 0 BCADHN CSC[C@@H](O)CN[C@@H](C)c1cnn(C)c1 ZINC000275252137 389054162 /nfs/dbraw/zinc/05/41/62/389054162.db2.gz YSBHKNUSJJNYLD-WPRPVWTQSA-N 0 3 229.349 0.795 20 0 BCADHN CSCCCN[C@H](CO)c1cnn(C)c1 ZINC000274105445 389045205 /nfs/dbraw/zinc/04/52/05/389045205.db2.gz SYHVMICJDGNSEF-SNVBAGLBSA-N 0 3 229.349 0.796 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)C[C@H]1CCCO1 ZINC000347750708 136011585 /nfs/dbraw/zinc/01/15/85/136011585.db2.gz OIGFKPWKXDMYDK-GHMZBOCLSA-N 0 3 215.293 0.437 20 0 BCADHN CO[C@@H](C)CCNC(=O)/C=C\CN(C)C ZINC000493394261 533326301 /nfs/dbraw/zinc/32/63/01/533326301.db2.gz WHCPBQRHONJWCA-OMMCCPJFSA-N 0 3 214.309 0.645 20 0 BCADHN CO[C@@H]1CN(C[C@@H](O)CSC)C[C@H]1OC ZINC000488078347 533475502 /nfs/dbraw/zinc/47/55/02/533475502.db2.gz SMBKQIZKOFUAJJ-OPRDCNLKSA-N 0 3 235.349 0.056 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CN(C)C(=O)O2)CC[C@@H]1C ZINC000495661220 533475904 /nfs/dbraw/zinc/47/59/04/533475904.db2.gz HGZOQDHIBVTTJM-GARJFASQSA-N 0 3 242.319 0.794 20 0 BCADHN C[C@@H](O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000469258215 533577109 /nfs/dbraw/zinc/57/71/09/533577109.db2.gz SINNYWZWSJZZAD-DJLDLDEBSA-N 0 3 212.293 0.109 20 0 BCADHN C[C@@H](O)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000469031186 533570340 /nfs/dbraw/zinc/57/03/40/533570340.db2.gz SVGWHYXZUIYVOD-GMTAPVOTSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@H](O)CCN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000497095357 533616551 /nfs/dbraw/zinc/61/65/51/533616551.db2.gz NHDWGGZSVPRYGV-NXEZZACHSA-N 0 3 230.308 0.530 20 0 BCADHN COC(=O)C[C@@H]1CSCCN1CCCO ZINC000174741077 533654075 /nfs/dbraw/zinc/65/40/75/533654075.db2.gz SIBPGEZKJWXIFT-SECBINFHSA-N 0 3 233.333 0.349 20 0 BCADHN C[C@@H](O)CN1CCC(OC(=O)N(C)C)CC1 ZINC000496626245 533664591 /nfs/dbraw/zinc/66/45/91/533664591.db2.gz WIIHBLWBBNEEGB-SECBINFHSA-N 0 3 230.308 0.530 20 0 BCADHN CCC(=O)N1CCCN(C(=O)C(C)(C)N)CC1 ZINC000040924403 322834320 /nfs/dbraw/zinc/83/43/20/322834320.db2.gz WFZWMWHRLRARLU-UHFFFAOYSA-N 0 3 241.335 0.195 20 0 BCADHN NC(=O)c1ccc(N2CCN3CCC[C@@H]3C2)nc1 ZINC000264775935 132180311 /nfs/dbraw/zinc/18/03/11/132180311.db2.gz PWSQTNQASBPFGX-LLVKDONJSA-N 0 3 246.314 0.465 20 0 BCADHN C[C@@H](N)C(=O)N1C[C@@H](C(N)=O)Cc2ccccc21 ZINC000269057342 132194174 /nfs/dbraw/zinc/19/41/74/132194174.db2.gz RNPBFCUHZHWPNM-SCZZXKLOSA-N 0 3 247.298 0.024 20 0 BCADHN Cc1ccnc(N2CCNC(C)(C)C2)n1 ZINC000133201876 132238129 /nfs/dbraw/zinc/23/81/29/132238129.db2.gz RSACJBHNNLONRN-UHFFFAOYSA-N 0 3 206.293 0.973 20 0 BCADHN CN(C)[C@H]1CCCN(c2ccc(=O)n(C)n2)C1 ZINC000346118311 132243056 /nfs/dbraw/zinc/24/30/56/132243056.db2.gz LKABYKRIMNVUQM-JTQLQIEISA-N 0 3 236.319 0.311 20 0 BCADHN CC(C)N1CCN(c2ccncc2C(N)=O)CC1 ZINC000302018359 132259549 /nfs/dbraw/zinc/25/95/49/132259549.db2.gz GNEJADBGWXZLPC-UHFFFAOYSA-N 0 3 248.330 0.711 20 0 BCADHN CCN1CCN(c2ccncc2C(N)=O)CC1 ZINC000302026556 132260259 /nfs/dbraw/zinc/26/02/59/132260259.db2.gz LGNPJQZAGKEGQK-UHFFFAOYSA-N 0 3 234.303 0.322 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000378526377 132290028 /nfs/dbraw/zinc/29/00/28/132290028.db2.gz NBAOTLSRJIPGPC-WDEREUQCSA-N 0 3 248.330 0.514 20 0 BCADHN Cn1ncc2c1ncnc2N1CCCCN1 ZINC000289123151 132307358 /nfs/dbraw/zinc/30/73/58/132307358.db2.gz MOSUHZUTMIZTTH-UHFFFAOYSA-N 0 3 218.264 0.468 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)C1CCOCC1 ZINC000083118299 133517060 /nfs/dbraw/zinc/51/70/60/133517060.db2.gz NESKUTKXRQWTRB-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN NC1(C(=O)N2C[C@H]3CC[C@@H](C2)O3)CCC1 ZINC000088051487 133546065 /nfs/dbraw/zinc/54/60/65/133546065.db2.gz PDHQIPSFLMXRSC-DTORHVGOSA-N 0 3 210.277 0.258 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)c1ccncc1 ZINC000334653545 133725648 /nfs/dbraw/zinc/72/56/48/133725648.db2.gz MPQFKZWDDOKJPA-VIFPVBQESA-N 0 3 241.241 0.809 20 0 BCADHN CN1CCC(C(=O)N2CC(F)C2)CC1 ZINC000345524953 133771335 /nfs/dbraw/zinc/77/13/35/133771335.db2.gz ILIBVMHLGLPIRF-UHFFFAOYSA-N 0 3 200.257 0.509 20 0 BCADHN O=C(C[C@@H]1CCCC[C@H]1O)N1CCCNCC1 ZINC000335432691 133844757 /nfs/dbraw/zinc/84/47/57/133844757.db2.gz BYAAWZBPBMKRHC-NWDGAFQWSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)N2CCSCC2)C1 ZINC000167385937 133969261 /nfs/dbraw/zinc/96/92/61/133969261.db2.gz HXGLLQYHYWPYIY-UWVGGRQHSA-N 0 3 228.361 0.950 20 0 BCADHN CCOC(=O)C1(CNCc2cnnn2C)CC1 ZINC000351914771 134001841 /nfs/dbraw/zinc/00/18/41/134001841.db2.gz DTMSMUDIXXRBLK-UHFFFAOYSA-N 0 3 238.291 0.248 20 0 BCADHN CC[C@H](C(=O)N1CCOC[C@@H](C)C1)N(C)C ZINC000335927625 134009619 /nfs/dbraw/zinc/00/96/19/134009619.db2.gz NPARAJOMOWYFIH-WDEREUQCSA-N 0 3 228.336 0.822 20 0 BCADHN O=C1NCC[C@H]1N1CC[C@H](CC2CC2)C1 ZINC000335930865 134010606 /nfs/dbraw/zinc/01/06/06/134010606.db2.gz IEVGMMBQFPLMRA-GHMZBOCLSA-N 0 3 208.305 0.997 20 0 BCADHN NC(=O)N[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC000335936040 134012750 /nfs/dbraw/zinc/01/27/50/134012750.db2.gz AKPQNULDFFJOHD-UWVGGRQHSA-N 0 3 227.308 0.298 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1CCN1CCOCC1 ZINC000351933166 134014453 /nfs/dbraw/zinc/01/44/53/134014453.db2.gz AJRCKWRQUXNACV-QWHCGFSZSA-N 0 3 241.379 0.343 20 0 BCADHN CCOC[C@@H](O)CN(C)CCN(C)C1CC1 ZINC000351947584 134015706 /nfs/dbraw/zinc/01/57/06/134015706.db2.gz SSDKVDNBTPHJKR-LBPRGKRZSA-N 0 3 230.352 0.410 20 0 BCADHN CCOC[C@H](O)CN(C)CCN(C)C1CC1 ZINC000351947583 134015803 /nfs/dbraw/zinc/01/58/03/134015803.db2.gz SSDKVDNBTPHJKR-GFCCVEGCSA-N 0 3 230.352 0.410 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(C)CC1 ZINC000335947226 134020358 /nfs/dbraw/zinc/02/03/58/134020358.db2.gz WEXVKNSHRQNUKQ-JQWIXIFHSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C(=O)Nc1ncn(C)n1)C(F)(F)F ZINC000335961940 134026966 /nfs/dbraw/zinc/02/69/66/134026966.db2.gz ISSOXWPOCBAQSY-SCSAIBSYSA-N 0 3 222.170 0.952 20 0 BCADHN CN(C)CC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000335969174 134029147 /nfs/dbraw/zinc/02/91/47/134029147.db2.gz PJCZFRSFPQLYNB-QWRGUYRKSA-N 0 3 225.336 0.101 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000335972452 134030183 /nfs/dbraw/zinc/03/01/83/134030183.db2.gz VZDWPMXZDWSPMO-LBPRGKRZSA-N 0 3 237.347 0.387 20 0 BCADHN C[C@@H]1[C@@H](N2CCOCC2)CCN1[C@@H]1CCOC1 ZINC000351992661 134031748 /nfs/dbraw/zinc/03/17/48/134031748.db2.gz FNKASEBYQLUHKG-UPJWGTAASA-N 0 3 240.347 0.570 20 0 BCADHN C[C@@H]1CN(CCOCCO)CCC1(F)F ZINC000352018109 134036568 /nfs/dbraw/zinc/03/65/68/134036568.db2.gz NPEUVJJBPLKORX-SECBINFHSA-N 0 3 223.263 0.972 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)c1cc(C)n[nH]1 ZINC000335980881 134037667 /nfs/dbraw/zinc/03/76/67/134037667.db2.gz ALQADLFBKNTMLE-SNVBAGLBSA-N 0 3 236.319 0.932 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)c1cc(C)[nH]n1 ZINC000335980881 134037668 /nfs/dbraw/zinc/03/76/68/134037668.db2.gz ALQADLFBKNTMLE-SNVBAGLBSA-N 0 3 236.319 0.932 20 0 BCADHN C[C@]1(C(=O)N[C@@H]2CCN(C3CC3)C2)CCOC1 ZINC000335998536 134043338 /nfs/dbraw/zinc/04/33/38/134043338.db2.gz FQEZJQBOIAFNPJ-MFKMUULPSA-N 0 3 238.331 0.766 20 0 BCADHN CN1CCC[C@H]1CNC(=O)[C@@]1(C)CCOC1 ZINC000335998949 134043841 /nfs/dbraw/zinc/04/38/41/134043841.db2.gz NYYKVNIGFMLKRJ-JQWIXIFHSA-N 0 3 226.320 0.623 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000336007971 134049905 /nfs/dbraw/zinc/04/99/05/134049905.db2.gz KPMNZRXGLXFJCJ-PWSUYJOCSA-N 0 3 248.330 0.961 20 0 BCADHN CN(C)C(=O)CN1CCC2(C1)CCOCC2 ZINC000336010063 134050620 /nfs/dbraw/zinc/05/06/20/134050620.db2.gz HGMLZCBEWYDSNR-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN O=C(Cc1ccncc1)N1CCN2CCC1CC2 ZINC000336010966 134051291 /nfs/dbraw/zinc/05/12/91/134051291.db2.gz OYJPWZBTTHXSLV-UHFFFAOYSA-N 0 3 245.326 0.931 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCSC2)C1 ZINC000336026991 134057369 /nfs/dbraw/zinc/05/73/69/134057369.db2.gz CAJVDFSNEVMXPB-NXEZZACHSA-N 0 3 243.376 0.837 20 0 BCADHN CC(C)N1CCC[C@@H](NC(=O)[C@H](C)O)C1 ZINC000336051732 134064952 /nfs/dbraw/zinc/06/49/52/134064952.db2.gz PQQXLFQKXUNTSM-VHSXEESVSA-N 0 3 214.309 0.356 20 0 BCADHN CCO[C@H](C)C(=O)NC[C@@](C)(O)CCN(C)C ZINC000352104419 134068006 /nfs/dbraw/zinc/06/80/06/134068006.db2.gz FKGNHVYHJZKHHI-PWSUYJOCSA-N 0 3 246.351 0.230 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000336064493 134069904 /nfs/dbraw/zinc/06/99/04/134069904.db2.gz YBQSZWDODRFRHP-DGCLKSJQSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000336098362 134080895 /nfs/dbraw/zinc/08/08/95/134080895.db2.gz DLODWBLCFKLURA-JGVFFNPUSA-N 0 3 227.308 0.934 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000336098361 134080953 /nfs/dbraw/zinc/08/09/53/134080953.db2.gz DLODWBLCFKLURA-HTQZYQBOSA-N 0 3 227.308 0.934 20 0 BCADHN C[C@H](CNC(=O)C[C@@H]1CCOC1)N(C)C ZINC000352146168 134081930 /nfs/dbraw/zinc/08/19/30/134081930.db2.gz HTTWFZCFCKWGKS-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN O=C([C@H]1CCCN1C1CC1)N1CC[C@H](CO)C1 ZINC000336106194 134082431 /nfs/dbraw/zinc/08/24/31/134082431.db2.gz QOTZOXHVMXLRBJ-CMPLNLGQSA-N 0 3 238.331 0.454 20 0 BCADHN CNC(=O)NC(=O)CN1CC[C@H]2CCC[C@H]21 ZINC000336107049 134082675 /nfs/dbraw/zinc/08/26/75/134082675.db2.gz VYPXXEBTVHUPPJ-RKDXNWHRSA-N 0 3 225.292 0.316 20 0 BCADHN CNC(=O)NC(=O)CN1CC[C@H]2CCC[C@@H]21 ZINC000336107046 134082732 /nfs/dbraw/zinc/08/27/32/134082732.db2.gz VYPXXEBTVHUPPJ-BDAKNGLRSA-N 0 3 225.292 0.316 20 0 BCADHN CC[C@]1(O)CCN([C@H]2CCN(C(C)C)C2=O)C1 ZINC000336107387 134083042 /nfs/dbraw/zinc/08/30/42/134083042.db2.gz HHRODEIIORWXDT-AAEUAGOBSA-N 0 3 240.347 0.843 20 0 BCADHN CN(C(=O)[C@@H]1CCCN1C1CC1)C1CC(O)C1 ZINC000336102523 134083914 /nfs/dbraw/zinc/08/39/14/134083914.db2.gz MWPKWKZBYPZSCQ-MCIGGMRASA-N 0 3 238.331 0.595 20 0 BCADHN C[C@H]1NCCN(C(=O)c2coc(CN)c2)[C@@H]1C ZINC000336156604 134106293 /nfs/dbraw/zinc/10/62/93/134106293.db2.gz JOLRRDKUKARMEZ-RKDXNWHRSA-N 0 3 237.303 0.561 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1CCCCO1 ZINC000336156530 134106433 /nfs/dbraw/zinc/10/64/33/134106433.db2.gz AGSWURPLHFQEFA-CMPLNLGQSA-N 0 3 238.331 0.908 20 0 BCADHN CCN(C[C@@H](C)O)[C@H](C)C(=O)N(C)C ZINC000352209159 134107675 /nfs/dbraw/zinc/10/76/75/134107675.db2.gz ABFFEPUXWRIHOI-RKDXNWHRSA-N 0 3 202.298 0.166 20 0 BCADHN COCC1(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000352225409 134109788 /nfs/dbraw/zinc/10/97/88/134109788.db2.gz LMIDIOOLZDQCFU-JTQLQIEISA-N 0 3 238.331 0.766 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@H](COC)C1 ZINC000352225545 134110099 /nfs/dbraw/zinc/11/00/99/134110099.db2.gz BIZDSFIHSZZTBZ-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H]1CCN(C)CCN1Cc1nccn1C ZINC000336164634 134112661 /nfs/dbraw/zinc/11/26/61/134112661.db2.gz OOFGUBKKLUGIGT-LLVKDONJSA-N 0 3 222.336 0.946 20 0 BCADHN O=C([C@H]1CCN1)N1CCNCc2ccccc21 ZINC000336173795 134116228 /nfs/dbraw/zinc/11/62/28/134116228.db2.gz RKFKUQZBDIYVGI-LLVKDONJSA-N 0 3 231.299 0.485 20 0 BCADHN Cc1ccoc1CN1C[C@H](O)C[C@H]1CO ZINC000336180792 134119420 /nfs/dbraw/zinc/11/94/20/134119420.db2.gz IXIXYZUIEGFNNA-VHSXEESVSA-N 0 3 211.261 0.516 20 0 BCADHN CCc1cc(N2CCN(C)C(=O)C2)ccn1 ZINC000336199625 134128536 /nfs/dbraw/zinc/12/85/36/134128536.db2.gz OGEBRYJXRDQFCV-UHFFFAOYSA-N 0 3 219.288 0.922 20 0 BCADHN O=C([C@H](O)C1CCC1)N1CCN2CCC[C@@H]2C1 ZINC000336205465 134131427 /nfs/dbraw/zinc/13/14/27/134131427.db2.gz SNCFTVYLDPDWMS-VXGBXAGGSA-N 0 3 238.331 0.454 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CCC2)C[C@H](C)N1 ZINC000336214410 134136158 /nfs/dbraw/zinc/13/61/58/134136158.db2.gz NUVPZMLHWLSMDV-DTORHVGOSA-N 0 3 211.309 0.077 20 0 BCADHN CN(C)CC(=O)NC[C@H](N)c1ccccc1 ZINC000167916973 134154795 /nfs/dbraw/zinc/15/47/95/134154795.db2.gz RJCSHJOKSAYMDB-NSHDSACASA-N 0 3 221.304 0.364 20 0 BCADHN CN(CCOCC1CC1)[C@@]1(CO)CCOC1 ZINC000359581216 134195827 /nfs/dbraw/zinc/19/58/27/134195827.db2.gz WJOCSIVTKVVIGY-GFCCVEGCSA-N 0 3 229.320 0.496 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCCOC1 ZINC000170934266 134255390 /nfs/dbraw/zinc/25/53/90/134255390.db2.gz KHXMNEQBHDHTRN-SNVBAGLBSA-N 0 3 214.309 0.622 20 0 BCADHN COC(=O)[C@H]1C[C@H]1C(=O)NC1CCN(C)CC1 ZINC000171180134 134255818 /nfs/dbraw/zinc/25/58/18/134255818.db2.gz TXPKYPKJVSJCCN-ZJUUUORDSA-N 0 3 240.303 0.006 20 0 BCADHN CCN(C)C(=O)NC1CCN(CCOC)CC1 ZINC000171195070 134255988 /nfs/dbraw/zinc/25/59/88/134255988.db2.gz QLZPJYQWVQWNLA-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN O=S(=O)(NCCCN1CCCCC1)C1CC1 ZINC000172988904 134271799 /nfs/dbraw/zinc/27/17/99/134271799.db2.gz LWGDWTKVTPEFNV-UHFFFAOYSA-N 0 3 246.376 0.944 20 0 BCADHN O=S(=O)(NC[C@H]1CCN(C2CC2)C1)C1CC1 ZINC000173024178 134272229 /nfs/dbraw/zinc/27/22/29/134272229.db2.gz HCJLHYPQSJMCSQ-SECBINFHSA-N 0 3 244.360 0.553 20 0 BCADHN C[C@H](CNS(=O)(=O)C1CC1)CN1CCCC1 ZINC000173047517 134272544 /nfs/dbraw/zinc/27/25/44/134272544.db2.gz OCDVJJIWEBRBPY-SNVBAGLBSA-N 0 3 246.376 0.800 20 0 BCADHN CC(C(=O)N1CCC[C@@H]1C)S(C)(=O)=O ZINC000173132679 134273814 /nfs/dbraw/zinc/27/38/14/134273814.db2.gz 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242.319 0.396 20 0 BCADHN CCN(C)C(=O)CCN1CCCO[C@@H](C)C1 ZINC000178197228 134304502 /nfs/dbraw/zinc/30/45/02/134304502.db2.gz SMJMKFDLYUHLBM-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CNC(=O)[C@H](C)CN(C)C(=O)C1(N)CCCC1 ZINC000178192316 134304668 /nfs/dbraw/zinc/30/46/68/134304668.db2.gz JPTUSOLLOOAQQT-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN COC(=O)[C@@H](C)CC(=O)NC1CCN(C)CC1 ZINC000178228415 134305453 /nfs/dbraw/zinc/30/54/53/134305453.db2.gz GJIXIUREONIBKB-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN COC[C@H](C)C(=O)N1CCCNCC1 ZINC000178358631 134308745 /nfs/dbraw/zinc/30/87/45/134308745.db2.gz OBQSQYKVHOEFQH-VIFPVBQESA-N 0 3 200.282 0.091 20 0 BCADHN Cc1cnn(CCC(=O)N2CCCNCC2)c1 ZINC000178358878 134308829 /nfs/dbraw/zinc/30/88/29/134308829.db2.gz HVCUPFUDJVNCAZ-UHFFFAOYSA-N 0 3 236.319 0.404 20 0 BCADHN c1cc(CN2CC[C@@H](N3CCOCC3)C2)c[nH]1 ZINC000179846576 134324606 /nfs/dbraw/zinc/32/46/06/134324606.db2.gz SIPVUJNUKQONDN-CYBMUJFWSA-N 0 3 235.331 0.921 20 0 BCADHN CCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000179925428 134325377 /nfs/dbraw/zinc/32/53/77/134325377.db2.gz FAEJCDXUFSNVME-UHFFFAOYSA-N 0 3 242.367 0.285 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000221790791 134326185 /nfs/dbraw/zinc/32/61/85/134326185.db2.gz PYARSDWYNKBTAW-VWYCJHECSA-N 0 3 239.363 0.726 20 0 BCADHN CCN(CC)CCSc1nnnn1C ZINC000181302341 134335417 /nfs/dbraw/zinc/33/54/17/134335417.db2.gz GMTKBYQAACKDEN-UHFFFAOYSA-N 0 3 215.326 0.644 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@@H](N)CC(C)C ZINC000223737776 134339049 /nfs/dbraw/zinc/33/90/49/134339049.db2.gz NLSFVQNXNCEFJQ-IUCAKERBSA-N 0 3 202.298 0.511 20 0 BCADHN CO[C@H](C)CNC(=O)[C@@H](N)CC(C)C ZINC000223737852 134339187 /nfs/dbraw/zinc/33/91/87/134339187.db2.gz NLSFVQNXNCEFJQ-BDAKNGLRSA-N 0 3 202.298 0.511 20 0 BCADHN CO[C@@H](C)CN1CCCN(C(C)=O)CC1 ZINC000182000782 134340944 /nfs/dbraw/zinc/34/09/44/134340944.db2.gz LLFLMUHNUOBSTI-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN COCC[C@](C)(O)CN[C@H](C)c1cnccn1 ZINC000223659676 134340953 /nfs/dbraw/zinc/34/09/53/134340953.db2.gz MWNAJWSEUCSNPY-PWSUYJOCSA-N 0 3 239.319 0.915 20 0 BCADHN CO[C@H](C)CN1CCCC[C@@H]1C(N)=O ZINC000182040625 134341625 /nfs/dbraw/zinc/34/16/25/134341625.db2.gz XMKTXIGYSWPPRS-RKDXNWHRSA-N 0 3 200.282 0.361 20 0 BCADHN C[C@H](CO)CCCN[C@@H](C)CS(C)(=O)=O ZINC000223819553 134342957 /nfs/dbraw/zinc/34/29/57/134342957.db2.gz LYCZUTZKEBGFMS-UWVGGRQHSA-N 0 3 237.365 0.418 20 0 BCADHN CNC(=O)CC1CCN(C[C@@H](C)OC)CC1 ZINC000182207916 134342959 /nfs/dbraw/zinc/34/29/59/134342959.db2.gz CAPGGAINKVRHQZ-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC(C)(C)CCO ZINC000223809501 134343088 /nfs/dbraw/zinc/34/30/88/134343088.db2.gz FYYRVDVZAOIELG-VIFPVBQESA-N 0 3 237.365 0.418 20 0 BCADHN CO[C@@H](C)CCC(=O)N1CCCN(C)CC1 ZINC000182962723 134349640 /nfs/dbraw/zinc/34/96/40/134349640.db2.gz ROWHUCAQZKHNHQ-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@H](N(C)C)C1 ZINC000225453555 134353333 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/nfs/dbraw/zinc/36/84/37/134368437.db2.gz MXRXTGPFMLOCLG-CBAPKCEASA-N 0 3 242.348 0.667 20 0 BCADHN C[C@@H](N[C@@H]1CCCC[C@@H]1C(N)=O)C(=O)N(C)C ZINC000184843615 134369491 /nfs/dbraw/zinc/36/94/91/134369491.db2.gz GVDQADWSBBHOFS-KXUCPTDWSA-N 0 3 241.335 0.097 20 0 BCADHN CN1CCN(C)[C@@H](CN[C@@H]2CCCOC2)C1 ZINC000226922932 134371733 /nfs/dbraw/zinc/37/17/33/134371733.db2.gz INZATGSPPIVVPQ-NEPJUHHUSA-N 0 3 227.352 0.001 20 0 BCADHN CCN(C[C@H]1CCCO1)C[C@@](C)(O)C(=O)OC ZINC000227068192 134374193 /nfs/dbraw/zinc/37/41/93/134374193.db2.gz FBWYBGWUGCTKME-ZYHUDNBSSA-N 0 3 245.319 0.411 20 0 BCADHN CNC(=O)CC(=O)N(CCN(C)C)CC(C)C ZINC000185275031 134375832 /nfs/dbraw/zinc/37/58/32/134375832.db2.gz TVDRYJMPIUZHPG-UHFFFAOYSA-N 0 3 243.351 0.169 20 0 BCADHN Cn1nncc1CNC[C@H]1CCC[C@@H](O)C1 ZINC000227126694 134376466 /nfs/dbraw/zinc/37/64/66/134376466.db2.gz MPGMDLIOGWQTMB-GXSJLCMTSA-N 0 3 224.308 0.456 20 0 BCADHN CCCn1cc(CNCCCOCCO)cn1 ZINC000227333259 134378295 /nfs/dbraw/zinc/37/82/95/134378295.db2.gz QSFLPNKOJHQJAZ-UHFFFAOYSA-N 0 3 241.335 0.782 20 0 BCADHN CCC[C@@H](CC)NC(=O)[C@@H](CN)OC ZINC000227380243 134379457 /nfs/dbraw/zinc/37/94/57/134379457.db2.gz RYSXYYLVZWBZEF-RKDXNWHRSA-N 0 3 202.298 0.655 20 0 BCADHN COC[C@H](CNCc1cncn1C)OC ZINC000227707742 134384890 /nfs/dbraw/zinc/38/48/90/134384890.db2.gz UNZLTMRMOGYXQY-JTQLQIEISA-N 0 3 213.281 0.171 20 0 BCADHN NC(=O)CC[C@@H]1CCCN([C@@H]2CCOC2)C1 ZINC000408079236 134388607 /nfs/dbraw/zinc/38/86/07/134388607.db2.gz IJUHIFAMVGHIOJ-WDEREUQCSA-N 0 3 226.320 0.753 20 0 BCADHN NC(=O)CC[C@@H]1CCCN([C@H]2CCOC2)C1 ZINC000408079235 134388643 /nfs/dbraw/zinc/38/86/43/134388643.db2.gz IJUHIFAMVGHIOJ-QWRGUYRKSA-N 0 3 226.320 0.753 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@@H](N)CCSC)C1 ZINC000234790362 134388745 /nfs/dbraw/zinc/38/87/45/134388745.db2.gz AHZWZFHJGAEHEF-IUCAKERBSA-N 0 3 232.349 0.314 20 0 BCADHN CN(C[C@@H]1CCCO1)C1(C(N)=O)CCCC1 ZINC000408088849 134390081 /nfs/dbraw/zinc/39/00/81/134390081.db2.gz LFPKYGKYECCZBZ-JTQLQIEISA-N 0 3 226.320 0.895 20 0 BCADHN COCCOCCN1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000227753358 134392300 /nfs/dbraw/zinc/39/23/00/134392300.db2.gz NBOJHVSVMUTZFD-GHMZBOCLSA-N 0 3 245.319 0.390 20 0 BCADHN CCNC(=O)CN1CCCN(C2CC2)CC1 ZINC000061041371 134392720 /nfs/dbraw/zinc/39/27/20/134392720.db2.gz XAHUJKSTXSHJHE-UHFFFAOYSA-N 0 3 225.336 0.293 20 0 BCADHN C[C@@H]1OCC[C@@]1(O)CNCc1ccccn1 ZINC000227981346 134396412 /nfs/dbraw/zinc/39/64/12/134396412.db2.gz ZSNNHDJQADFHSW-CMPLNLGQSA-N 0 3 222.288 0.711 20 0 BCADHN CO[C@H](C)CN1CCCC[C@@]1(C)C(N)=O ZINC000185930099 134397075 /nfs/dbraw/zinc/39/70/75/134397075.db2.gz UPKORXIEHSZWJN-KOLCDFICSA-N 0 3 214.309 0.751 20 0 BCADHN CC1(C)C[C@@H]1N[C@@H]1CCCS(=O)(=O)C1 ZINC000068940290 134399743 /nfs/dbraw/zinc/39/97/43/134399743.db2.gz VMGSJBQMEKRQMX-BDAKNGLRSA-N 0 3 217.334 0.952 20 0 BCADHN CCCCOC[C@H](O)CN1CCN(C)C[C@@H]1C ZINC000227940442 134399768 /nfs/dbraw/zinc/39/97/68/134399768.db2.gz KLQIJUUMPWCDAK-QWHCGFSZSA-N 0 3 244.379 0.800 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N[C@@H](C)[C@@H](C)CO ZINC000228726786 134429700 /nfs/dbraw/zinc/42/97/00/134429700.db2.gz KKYRMKPEFBSQRO-DCAQKATOSA-N 0 3 230.352 0.850 20 0 BCADHN O=C(C[C@H]1CSCCN1)N1CCCC1 ZINC000085612309 134442964 /nfs/dbraw/zinc/44/29/64/134442964.db2.gz ZCTIJWYCNLUXRO-VIFPVBQESA-N 0 3 214.334 0.704 20 0 BCADHN CC(=O)NCC(=O)N(C)CC1(N(C)C)CCC1 ZINC000187008473 134444102 /nfs/dbraw/zinc/44/41/02/134444102.db2.gz APGPHLHYIVCEQJ-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H](F)CN2)C[C@H](C)O1 ZINC000188188508 134494484 /nfs/dbraw/zinc/49/44/84/134494484.db2.gz IITVDVCMMQCKHO-QCLAVDOMSA-N 0 3 230.283 0.322 20 0 BCADHN CC[C@H]1CN(C(=O)C2(N)CC2)C[C@@H](C)O1 ZINC000153202437 134527384 /nfs/dbraw/zinc/52/73/84/134527384.db2.gz DAUDPDXIXVBQAU-BDAKNGLRSA-N 0 3 212.293 0.504 20 0 BCADHN CCCNC(=O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000233042936 134557922 /nfs/dbraw/zinc/55/79/22/134557922.db2.gz BGKRXMJIHDHOGW-CMPLNLGQSA-N 0 3 226.320 0.670 20 0 BCADHN Cc1c[nH+]ccc1NCCCc1nc(=O)[n-][nH]1 ZINC000192639625 134586688 /nfs/dbraw/zinc/58/66/88/134586688.db2.gz DECXNCICARMVPJ-UHFFFAOYSA-N 0 3 233.275 0.846 20 0 BCADHN COCCNCC(=O)N1CCCC(C)(C)C1 ZINC000086158331 134591859 /nfs/dbraw/zinc/59/18/59/134591859.db2.gz DDVJYYFMOYOWGX-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN COCCN(C)CCN[C@H](C)c1cnn(C)c1 ZINC000061377952 134797285 /nfs/dbraw/zinc/79/72/85/134797285.db2.gz VAGBEYPVEBOPOP-LLVKDONJSA-N 0 3 240.351 0.649 20 0 BCADHN COC(=O)[C@@H](NC(=O)CN(C)C(C)C)C(C)C ZINC000072948842 134936664 /nfs/dbraw/zinc/93/66/64/134936664.db2.gz VXRAGWPZWQDGOA-NSHDSACASA-N 0 3 244.335 0.640 20 0 BCADHN CCCCOC(=O)CCN1C[C@H](O)C[C@H]1CO ZINC000248399860 135004606 /nfs/dbraw/zinc/00/46/06/135004606.db2.gz WJSITJCAJQLJGT-WDEREUQCSA-N 0 3 245.319 0.147 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1C[C@@H](C)OC ZINC000248426490 135007485 /nfs/dbraw/zinc/00/74/85/135007485.db2.gz OIMVBRMZOKDMSZ-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1CCCN1CCN1C(=O)CNC1=O 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NC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CCCC1 ZINC000087790783 135171754 /nfs/dbraw/zinc/17/17/54/135171754.db2.gz WHRLJDAPVXJUIO-BBBLOLIVSA-N 0 3 224.304 0.694 20 0 BCADHN COCCNCC(=O)NC[C@]1(C)CCCS1 ZINC000087796774 135171877 /nfs/dbraw/zinc/17/18/77/135171877.db2.gz ZTKOEJICULNWCM-NSHDSACASA-N 0 3 246.376 0.624 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@]1(C)CCCS1 ZINC000087796569 135172196 /nfs/dbraw/zinc/17/21/96/135172196.db2.gz HYSNBWVTKRVDRL-VXNVDRBHSA-N 0 3 202.323 0.736 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@@H](C)N)CCO1 ZINC000261536910 135172738 /nfs/dbraw/zinc/17/27/38/135172738.db2.gz UFIYYDHUKSXZNV-BDAKNGLRSA-N 0 3 200.282 0.217 20 0 BCADHN CC(C)([NH3+])C[N-]S(=O)(=O)c1ccco1 ZINC000261537390 135173937 /nfs/dbraw/zinc/17/39/37/135173937.db2.gz VLYGNAAPNXMWBI-UHFFFAOYSA-N 0 3 218.278 0.295 20 0 BCADHN C[C@H]1CCN(Cc2cnc(N)s2)[C@H]1CO ZINC000261537320 135174193 /nfs/dbraw/zinc/17/41/93/135174193.db2.gz VHCOVGWKNBAFQB-CBAPKCEASA-N 0 3 227.333 0.928 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCO[C@@H](C)C1 ZINC000261538657 135176391 /nfs/dbraw/zinc/17/63/91/135176391.db2.gz YVTXWACILBNYBL-DTWKUNHWSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000261538842 135177172 /nfs/dbraw/zinc/17/71/72/135177172.db2.gz ZOBNRUBXYGUEJJ-RITPCOANSA-N 0 3 210.199 0.744 20 0 BCADHN Cc1nc(C(=O)N2CCNC(C)(C)C2)c[nH]1 ZINC000261539623 135178835 /nfs/dbraw/zinc/17/88/35/135178835.db2.gz CWOHJAJNTUSSJL-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN Cc1ncc(C(=O)N2CCNC(C)(C)C2)[nH]1 ZINC000261539623 135178836 /nfs/dbraw/zinc/17/88/36/135178836.db2.gz CWOHJAJNTUSSJL-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN NC1(C(=O)NCc2c[nH]cn2)CCCCC1 ZINC000084081176 135181063 /nfs/dbraw/zinc/18/10/63/135181063.db2.gz VFJPDYOYFLCSGA-UHFFFAOYSA-N 0 3 222.292 0.688 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)C2(N)CC2)C1 ZINC000261542892 135182968 /nfs/dbraw/zinc/18/29/68/135182968.db2.gz HESPIIKMDUHZQT-SECBINFHSA-N 0 3 212.293 0.363 20 0 BCADHN C[C@@H]1CCCCN1C(=O)COC1CNC1 ZINC000261549138 135187526 /nfs/dbraw/zinc/18/75/26/135187526.db2.gz OFVCMRDRRUMIAF-SECBINFHSA-N 0 3 212.293 0.376 20 0 BCADHN Cc1nc(C)c(CNC(CO)CO)s1 ZINC000084148999 135187722 /nfs/dbraw/zinc/18/77/22/135187722.db2.gz MCSVGMLKRFORMD-UHFFFAOYSA-N 0 3 216.306 0.203 20 0 BCADHN Cc1ncsc1CN[C@@H]1CCC(=O)NC1 ZINC000084149421 135188361 /nfs/dbraw/zinc/18/83/61/135188361.db2.gz JLGASDGDVXHBNT-MRVPVSSYSA-N 0 3 225.317 0.820 20 0 BCADHN CCCC(C)(C)NC(=O)COC1CNC1 ZINC000261556266 135196051 /nfs/dbraw/zinc/19/60/51/135196051.db2.gz VWMPCZKTFBPXGP-UHFFFAOYSA-N 0 3 214.309 0.670 20 0 BCADHN CSC1(CNC(=O)[C@H](C)N)CCOCC1 ZINC000261556550 135196848 /nfs/dbraw/zinc/19/68/48/135196848.db2.gz WBFXTTPFDRUJOC-QMMMGPOBSA-N 0 3 232.349 0.362 20 0 BCADHN CNCC(=O)NCC1(CCO)CCCC1 ZINC000261558385 135199437 /nfs/dbraw/zinc/19/94/37/135199437.db2.gz YGICFKQPHBORAG-UHFFFAOYSA-N 0 3 214.309 0.265 20 0 BCADHN Cc1csc(NC(=O)COC2CNC2)n1 ZINC000261558614 135199458 /nfs/dbraw/zinc/19/94/58/135199458.db2.gz YMZKNPXDLHKUJT-UHFFFAOYSA-N 0 3 227.289 0.378 20 0 BCADHN CN(C(=O)C(N)C(F)(F)F)[C@H]1CCSC1 ZINC000261560073 135201389 /nfs/dbraw/zinc/20/13/89/135201389.db2.gz ZMHSUPLEOTUWQD-WDSKDSINSA-N 0 3 242.266 0.840 20 0 BCADHN C[C@@H]1C[C@@H]1CN[C@@H]1CCS(=O)(=O)C1 ZINC000163830446 135209090 /nfs/dbraw/zinc/20/90/90/135209090.db2.gz XXVIWWHTXNDAHH-IWSPIJDZSA-N 0 3 203.307 0.419 20 0 BCADHN C[C@@H]1CCNC[C@H]1NS(=O)(=O)CCC1CC1 ZINC000261567863 135210676 /nfs/dbraw/zinc/21/06/76/135210676.db2.gz FFLNEUYITPKGPT-MWLCHTKSSA-N 0 3 246.376 0.704 20 0 BCADHN O=C(CN[C@@H]1CCCSC1)NCC1CC1 ZINC000164004596 135212191 /nfs/dbraw/zinc/21/21/91/135212191.db2.gz YQRANMXDLCFLTJ-SNVBAGLBSA-N 0 3 228.361 0.998 20 0 BCADHN NC(C(=O)NC[C@H]1CCCO1)C(F)(F)F ZINC000261571304 135212889 /nfs/dbraw/zinc/21/28/89/135212889.db2.gz HKKBOEWRUPVACZ-RITPCOANSA-N 0 3 226.198 0.171 20 0 BCADHN Cn1cccc1CNC[C@@H](O)[C@@H]1CCOC1 ZINC000164205841 135216300 /nfs/dbraw/zinc/21/63/00/135216300.db2.gz SZIUGNWHDVGKOK-ZYHUDNBSSA-N 0 3 224.304 0.512 20 0 BCADHN CN(CCC1CC1)C(=O)C[C@@H]1CNCCO1 ZINC000261575424 135216455 /nfs/dbraw/zinc/21/64/55/135216455.db2.gz JROWIYXKHIXKFG-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN NC(C(=O)N1CCCSCC1)C(F)(F)F ZINC000261582322 135223138 /nfs/dbraw/zinc/22/31/38/135223138.db2.gz OEFBKZBBXZTSAA-LURJTMIESA-N 0 3 242.266 0.842 20 0 BCADHN C[C@H](Cc1ccncc1)NC(=O)[C@H](C)N ZINC000261582565 135223337 /nfs/dbraw/zinc/22/33/37/135223337.db2.gz OLKQOXGYINNCRU-BDAKNGLRSA-N 0 3 207.277 0.476 20 0 BCADHN C[C@H](C[NH3+])[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000261582319 135223411 /nfs/dbraw/zinc/22/34/11/135223411.db2.gz ODWQBQFPXRYBJZ-ZCFIWIBFSA-N 0 3 249.723 0.361 20 0 BCADHN C[C@@H](C[NH3+])[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000261582318 135223499 /nfs/dbraw/zinc/22/34/99/135223499.db2.gz ODWQBQFPXRYBJZ-LURJTMIESA-N 0 3 249.723 0.361 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000261584352 135225116 /nfs/dbraw/zinc/22/51/16/135225116.db2.gz PRVWRMQFVLXMRO-GUBZILKMSA-N 0 3 212.293 0.361 20 0 BCADHN COC(=O)[C@@H](NC(=O)CN)c1cccs1 ZINC000261592018 135232448 /nfs/dbraw/zinc/23/24/48/135232448.db2.gz VRGUWHNHFJDQHC-QMMMGPOBSA-N 0 3 228.273 0.037 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1sc(C)nc1C ZINC000261599682 135237773 /nfs/dbraw/zinc/23/77/73/135237773.db2.gz ZWUJWQHJJYFSLA-QMMMGPOBSA-N 0 3 243.332 0.350 20 0 BCADHN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)N)[nH]n1 ZINC000261599048 135237834 /nfs/dbraw/zinc/23/78/34/135237834.db2.gz ZSYWNXMIKLKAPL-HTRCEHHLSA-N 0 3 210.281 0.113 20 0 BCADHN CNCC(=O)NCc1nnc(C(C)C)s1 ZINC000261546890 135239374 /nfs/dbraw/zinc/23/93/74/135239374.db2.gz LMWYDGGEWOSPPC-UHFFFAOYSA-N 0 3 228.321 0.497 20 0 BCADHN O=S(=O)([N-][C@H]1CCC[NH2+]C1)c1ccco1 ZINC000261547911 135240918 /nfs/dbraw/zinc/24/09/18/135240918.db2.gz MTWOPRABSVXHMD-QMMMGPOBSA-N 0 3 230.289 0.310 20 0 BCADHN C[C@@H](N)C(=O)NCc1cccnc1-n1ccnc1 ZINC000261672822 135245364 /nfs/dbraw/zinc/24/53/64/135245364.db2.gz AUHWVODLFHONNO-SECBINFHSA-N 0 3 245.286 0.231 20 0 BCADHN C[C@@H](N)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000261690582 135245661 /nfs/dbraw/zinc/24/56/61/135245661.db2.gz CBJALFRUHNONHW-SECBINFHSA-N 0 3 249.318 0.227 20 0 BCADHN CN1C(=O)CC[C@@H](N[C@H]2CCCSC2)C1=O ZINC000084406332 135245744 /nfs/dbraw/zinc/24/57/44/135245744.db2.gz AOIZNVAJNPIPKE-DTWKUNHWSA-N 0 3 242.344 0.619 20 0 BCADHN Cn1ccnc1[C@@H]1CNCCN1Cc1cc[nH]n1 ZINC000261683703 135245819 /nfs/dbraw/zinc/24/58/19/135245819.db2.gz AKSYPZZCNBGSHO-NSHDSACASA-N 0 3 246.318 0.290 20 0 BCADHN C[C@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000261753681 135249775 /nfs/dbraw/zinc/24/97/75/135249775.db2.gz WSWXVAAEOARGFZ-DTWKUNHWSA-N 0 3 244.316 0.556 20 0 BCADHN CCOCCN1CCNC[C@H]1c1nccn1C ZINC000261762543 135250906 /nfs/dbraw/zinc/25/09/06/135250906.db2.gz NEPRQSWOQQWRGY-NSHDSACASA-N 0 3 238.335 0.403 20 0 BCADHN CCCCN(CCCO)[C@H]1CCCNC1=O ZINC000342279102 135255762 /nfs/dbraw/zinc/25/57/62/135255762.db2.gz JTVDWZUTISTLCN-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261845303 135257307 /nfs/dbraw/zinc/25/73/07/135257307.db2.gz LRLSGTIADMJPOK-UTINFBMNSA-N 0 3 224.304 0.407 20 0 BCADHN Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H](C)N ZINC000261882540 135260243 /nfs/dbraw/zinc/26/02/43/135260243.db2.gz RXOXFSLKDMORFB-NKWVEPMBSA-N 0 3 225.292 0.686 20 0 BCADHN CCSCCN1CC[C@@H](NC(=O)NC)C1 ZINC000342355396 135262522 /nfs/dbraw/zinc/26/25/22/135262522.db2.gz CFSSTLJAKFLYTF-SECBINFHSA-N 0 3 231.365 0.743 20 0 BCADHN COCCNC(=O)N(CCN(C)C)CC(C)C ZINC000079023326 135266475 /nfs/dbraw/zinc/26/64/75/135266475.db2.gz RMEAMNQJGYMXDV-UHFFFAOYSA-N 0 3 245.367 0.862 20 0 BCADHN CNC(=O)N[C@H]1CCN(CCOC(C)C)C1 ZINC000342372176 135268673 /nfs/dbraw/zinc/26/86/73/135268673.db2.gz MFWPKNNOUGCXKI-JTQLQIEISA-N 0 3 229.324 0.415 20 0 BCADHN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN ZINC000261987921 135269590 /nfs/dbraw/zinc/26/95/90/135269590.db2.gz KTGBLMWZHSIEQS-LLVKDONJSA-N 0 3 248.282 0.072 20 0 BCADHN C[C@H]1CNCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000262041870 135275777 /nfs/dbraw/zinc/27/57/77/135275777.db2.gz SBQXMIKCUAXWKA-QMMMGPOBSA-N 0 3 234.303 0.721 20 0 BCADHN CSCC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000342458430 135276643 /nfs/dbraw/zinc/27/66/43/135276643.db2.gz ARYDVLHAQGXNJB-PSASIEDQSA-N 0 3 228.361 0.948 20 0 BCADHN C[C@H](C(=O)N1CCNC(C)(C)C1)n1cncn1 ZINC000262098275 135278889 /nfs/dbraw/zinc/27/88/89/135278889.db2.gz IINKFXDOCFCBJG-SECBINFHSA-N 0 3 237.307 0.050 20 0 BCADHN CO[C@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342474092 135278958 /nfs/dbraw/zinc/27/89/58/135278958.db2.gz NEIKVOVTJSIWDI-KKZNHRDASA-N 0 3 226.320 0.620 20 0 BCADHN CCC[C@](C)(N)C(=O)NCC(=O)NCC1CC1 ZINC000262154910 135282158 /nfs/dbraw/zinc/28/21/58/135282158.db2.gz SODZSOKEBXDRMP-LBPRGKRZSA-N 0 3 241.335 0.146 20 0 BCADHN CN1CC=C(CNC(=O)[C@](C)(O)C2CC2)CC1 ZINC000342575750 135291013 /nfs/dbraw/zinc/29/10/13/135291013.db2.gz UTOMJJGVYZXGKQ-CYBMUJFWSA-N 0 3 238.331 0.526 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](C)c1ncon1 ZINC000262377397 135297870 /nfs/dbraw/zinc/29/78/70/135297870.db2.gz JUOCQXBZRQWZGK-XCBNKYQSSA-N 0 3 226.280 0.764 20 0 BCADHN Cc1nccn1CCN1CCC[C@H]1C(N)=O ZINC000342603818 135302190 /nfs/dbraw/zinc/30/21/90/135302190.db2.gz CCWLQVJWPZCZBZ-JTQLQIEISA-N 0 3 222.292 0.141 20 0 BCADHN CO[C@H]1C[C@@H](NC(=O)NCCN(C)C)C1(C)C ZINC000342677958 135303625 /nfs/dbraw/zinc/30/36/25/135303625.db2.gz KSRGXRUDUJOQLZ-ZJUUUORDSA-N 0 3 243.351 0.661 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000262519875 135304049 /nfs/dbraw/zinc/30/40/49/135304049.db2.gz DNODOHRIENJWEJ-AXFHLTTASA-N 0 3 228.336 0.901 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000262539711 135304620 /nfs/dbraw/zinc/30/46/20/135304620.db2.gz KVDSMBNXNZKDLH-UKKRHICBSA-N 0 3 238.331 0.798 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000262594742 135307942 /nfs/dbraw/zinc/30/79/42/135307942.db2.gz WFOQSTYRAQZQKW-BDAKNGLRSA-N 0 3 228.292 0.136 20 0 BCADHN CCC[C@](C)(N)C(=O)NC[C@@H](C)C(=O)OC ZINC000262600658 135308171 /nfs/dbraw/zinc/30/81/71/135308171.db2.gz CCRHHORYSFOIDQ-KCJUWKMLSA-N 0 3 230.308 0.429 20 0 BCADHN CNCC(=O)NCc1nnc(C(C)(C)C)s1 ZINC000262640591 135310207 /nfs/dbraw/zinc/31/02/07/135310207.db2.gz RHMKDXWTTNXVAC-UHFFFAOYSA-N 0 3 242.348 0.671 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NCC1CCCC1 ZINC000342742734 135310355 /nfs/dbraw/zinc/31/03/55/135310355.db2.gz VXLQVZKQLUUHSK-JTQLQIEISA-N 0 3 242.319 0.573 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NC[C@@H]1C[C@@H]1C ZINC000342745697 135310494 /nfs/dbraw/zinc/31/04/94/135310494.db2.gz ZTDNZCCXAGPTAI-CIUDSAMLSA-N 0 3 228.292 0.039 20 0 BCADHN CCCCN(CC)C(=O)[C@H](N)CCC(=O)OC ZINC000342748420 135311298 /nfs/dbraw/zinc/31/12/98/135311298.db2.gz IAZAHXOAIVRNER-SNVBAGLBSA-N 0 3 244.335 0.916 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N[C@H](C)CC1CC1 ZINC000342754490 135311764 /nfs/dbraw/zinc/31/17/64/135311764.db2.gz RIPPVJPDHBZKQH-SCZZXKLOSA-N 0 3 242.319 0.572 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N(C(C)C)C1CC1 ZINC000342755138 135312263 /nfs/dbraw/zinc/31/22/63/135312263.db2.gz RRYINXVEYYUNQI-JTQLQIEISA-N 0 3 242.319 0.666 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCNCC1(F)F)N(C)C ZINC000342710959 135313076 /nfs/dbraw/zinc/31/30/76/135313076.db2.gz PZZUOILWELUKSK-RKDXNWHRSA-N 0 3 249.305 0.298 20 0 BCADHN CC(C)[C@H](C(=O)N(C)[C@@H]1CCOC1)N(C)C ZINC000342711416 135314140 /nfs/dbraw/zinc/31/41/40/135314140.db2.gz AJFHGFSINFZZPZ-GHMZBOCLSA-N 0 3 228.336 0.820 20 0 BCADHN C[C@@H](COCC(F)(F)F)NC(=O)C1(N)CC1 ZINC000262701726 135314701 /nfs/dbraw/zinc/31/47/01/135314701.db2.gz IMLAEKFKHHPCSH-LURJTMIESA-N 0 3 240.225 0.561 20 0 BCADHN C[C@H](COCC(F)(F)F)NC(=O)C1(N)CC1 ZINC000262701727 135314921 /nfs/dbraw/zinc/31/49/21/135314921.db2.gz IMLAEKFKHHPCSH-ZCFIWIBFSA-N 0 3 240.225 0.561 20 0 BCADHN C[C@H](N[C@@H]1CCCN(C)[C@H]1C)C(=O)NC1CC1 ZINC000342718692 135315144 /nfs/dbraw/zinc/31/51/44/135315144.db2.gz FMDHPENJJVMGJN-JBLDHEPKSA-N 0 3 239.363 0.726 20 0 BCADHN COCC[C@@H](C)NC(=O)C1CCN(C)CC1 ZINC000342729643 135315653 /nfs/dbraw/zinc/31/56/53/135315653.db2.gz XPDMITBYZFJUHU-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 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ZINC000054074033 398025376 /nfs/dbraw/zinc/02/53/76/398025376.db2.gz OWEOOQLICRJUTQ-VIFPVBQESA-N 0 3 249.314 0.935 20 0 BCADHN NS(=O)(=O)CCCN1CCC12CCCC2 ZINC000649656448 398026862 /nfs/dbraw/zinc/02/68/62/398026862.db2.gz NQRYUJRTYUSCDH-UHFFFAOYSA-N 0 3 232.349 0.684 20 0 BCADHN COC(=O)Cn1cc(CNCCC(C)C)nn1 ZINC000277361199 398027700 /nfs/dbraw/zinc/02/77/00/398027700.db2.gz WIZPFXLKTVXBFF-UHFFFAOYSA-N 0 3 240.307 0.587 20 0 BCADHN CC(C)(N)C(=O)NCCCOC1CCOCC1 ZINC000490858649 398028925 /nfs/dbraw/zinc/02/89/25/398028925.db2.gz MVDFYZFHQBCZRZ-UHFFFAOYSA-N 0 3 244.335 0.426 20 0 BCADHN CN(C)CC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000169810683 398031307 /nfs/dbraw/zinc/03/13/07/398031307.db2.gz MBAVWAMGNJWQLB-NSHDSACASA-N 0 3 225.336 0.245 20 0 BCADHN OC1(C2CCN(C[C@@H]3COCCO3)CC2)CC1 ZINC000649670347 398031994 /nfs/dbraw/zinc/03/19/94/398031994.db2.gz IROUDFZRZKJUDZ-GFCCVEGCSA-N 0 3 241.331 0.639 20 0 BCADHN Cc1ccn2cc(CNC(=O)CN)nc2c1 ZINC000083909185 398035843 /nfs/dbraw/zinc/03/58/43/398035843.db2.gz CZKJOHHQQFEVJI-UHFFFAOYSA-N 0 3 218.260 0.218 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000083909944 398036761 /nfs/dbraw/zinc/03/67/61/398036761.db2.gz OPSPNRGEAAHQST-QMMMGPOBSA-N 0 3 219.288 0.965 20 0 BCADHN CCC[C@@H](C)[C@H](CO)NCc1n[nH]c(C)n1 ZINC000649691898 398038474 /nfs/dbraw/zinc/03/84/74/398038474.db2.gz YACLCMZIVBFRIT-SCZZXKLOSA-N 0 3 226.324 1.000 20 0 BCADHN Cc1[nH]n(C)c2nnc(NC(=O)C3(N)CCC3)c1-2 ZINC000564728638 398039504 /nfs/dbraw/zinc/03/95/04/398039504.db2.gz OCCYWBVSLBIJHH-UHFFFAOYSA-N 0 3 248.290 0.425 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@@H](C)Cn1cccn1 ZINC000278761252 398041321 /nfs/dbraw/zinc/04/13/21/398041321.db2.gz WJDNUPCUAYLDPC-VIFPVBQESA-N 0 3 247.302 0.662 20 0 BCADHN COC[C@H](O)CN[C@@H](CCO)c1ccccc1 ZINC000271759959 397973249 /nfs/dbraw/zinc/97/32/49/397973249.db2.gz MHIWIXWASGZWCW-OLZOCXBDSA-N 0 3 239.315 0.707 20 0 BCADHN c1nc(CN2CCc3n[nH]nc3C2)c[nH]1 ZINC000361326999 397975719 /nfs/dbraw/zinc/97/57/19/397975719.db2.gz RHXCCZKCIDQZMC-UHFFFAOYSA-N 0 3 204.237 0.086 20 0 BCADHN CO[C@H]1CCN(CC(=O)N(C)C2CC2)C[C@@H]1C ZINC000451552771 397975921 /nfs/dbraw/zinc/97/59/21/397975921.db2.gz XUWFNIRKIPGKNQ-JQWIXIFHSA-N 0 3 240.347 0.964 20 0 BCADHN CCO[C@@H]1COCC[C@H]1N[C@@H]1CCN(C)C1=O ZINC000362022180 397978283 /nfs/dbraw/zinc/97/82/83/397978283.db2.gz GKYRKUYPZKXKAZ-GMTAPVOTSA-N 0 3 242.319 0.001 20 0 BCADHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)C(=O)N(C)C ZINC000362021474 397978521 /nfs/dbraw/zinc/97/85/21/397978521.db2.gz ZCNFSOHSNVCADB-OUAUKWLOSA-N 0 3 244.335 0.247 20 0 BCADHN COCCO[C@@H]1CCN(C[C@@H]2CCC(=O)N2)C1 ZINC000649591400 397978536 /nfs/dbraw/zinc/97/85/36/397978536.db2.gz VUUWMUCXJGDDEQ-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN COCCN(C[C@@H]1CCC(=O)N1)[C@H]1CCOC1 ZINC000649594585 397982618 /nfs/dbraw/zinc/98/26/18/397982618.db2.gz IUPNVYMLHUSKDR-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN CO[C@]1(C)CCCN(C[C@@H]2CCC(=O)N2)C1 ZINC000649595202 397983692 /nfs/dbraw/zinc/98/36/92/397983692.db2.gz BPQXKBUUDGQYQO-CMPLNLGQSA-N 0 3 226.320 0.766 20 0 BCADHN CO[C@H]1CN(C[C@@H]2CCC(=O)N2)CC[C@H]1C ZINC000649592063 397986046 /nfs/dbraw/zinc/98/60/46/397986046.db2.gz SRYCFLSBRZWZPY-VWYCJHECSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1cncc(CCN[C@H]2C(=O)NCC[C@H]2C)n1 ZINC000649600145 397987662 /nfs/dbraw/zinc/98/76/62/397987662.db2.gz ZXHYDWFLDNXUET-BXKDBHETSA-N 0 3 248.330 0.442 20 0 BCADHN COCCOC[C@@H](O)CN1CC2(C1)CCCC2 ZINC000453001785 397988059 /nfs/dbraw/zinc/98/80/59/397988059.db2.gz DRXMEIBQHJKGHI-LBPRGKRZSA-N 0 3 243.347 0.886 20 0 BCADHN CN1CCC[C@@H]1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000649601576 397989201 /nfs/dbraw/zinc/98/92/01/397989201.db2.gz VEPNULDXKJYMCX-UTUOFQBUSA-N 0 3 226.320 0.180 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000382922669 397989481 /nfs/dbraw/zinc/98/94/81/397989481.db2.gz CPYFHQNJELBLES-WCABBAIRSA-N 0 3 226.320 0.811 20 0 BCADHN CC[C@@H]1CO[C@@H](CC)CN1C[C@H](O)COC ZINC000649719176 398061602 /nfs/dbraw/zinc/06/16/02/398061602.db2.gz MQVXLLXDPPBHDA-WOPDTQHZSA-N 0 3 231.336 0.883 20 0 BCADHN CO[C@@H](C)[C@@H](C)NC1COCCOC1 ZINC000389263235 398062940 /nfs/dbraw/zinc/06/29/40/398062940.db2.gz HKKIEIGJVBCKBM-BDAKNGLRSA-N 0 3 203.282 0.415 20 0 BCADHN CNC(=O)[C@@H](N[C@@H](C)COC)C(C)C ZINC000186399411 398065055 /nfs/dbraw/zinc/06/50/55/398065055.db2.gz VHGDFHDNVVGIPI-IUCAKERBSA-N 0 3 202.298 0.382 20 0 BCADHN CC[C@](C)(N)c1cn(CCn2ccnc2)nn1 ZINC000384123067 398065595 /nfs/dbraw/zinc/06/55/95/398065595.db2.gz ALCFVBVCHZISLB-NSHDSACASA-N 0 3 234.307 0.759 20 0 BCADHN Cc1nnsc1CNC[C@H](C)CCO ZINC000389280977 398066650 /nfs/dbraw/zinc/06/66/50/398066650.db2.gz RRLQMNHLSSANOT-SSDOTTSWSA-N 0 3 215.322 0.955 20 0 BCADHN CC[C@H](C(N)=O)n1cc([C@@](C)(N)CC)nn1 ZINC000384167635 398068386 /nfs/dbraw/zinc/06/83/86/398068386.db2.gz LUZOPTFLAYKNGW-XCBNKYQSSA-N 0 3 225.296 0.298 20 0 BCADHN CO[C@]1(CNCc2conc2C)CCOC1 ZINC000339350992 398071169 /nfs/dbraw/zinc/07/11/69/398071169.db2.gz HRZWWTHHQKKRSO-NSHDSACASA-N 0 3 226.276 0.878 20 0 BCADHN CC[C@](C)(N)c1cn(CC(=O)NC(C)C)nn1 ZINC000384208425 398075568 /nfs/dbraw/zinc/07/55/68/398075568.db2.gz OBMUIMSZPOKXDE-NSHDSACASA-N 0 3 239.323 0.387 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1C[C@@H]1CC[C@H](C)O1 ZINC000649744786 398083128 /nfs/dbraw/zinc/08/31/28/398083128.db2.gz NSWWNWIDXVWTBP-YFKTTZPYSA-N 0 3 229.320 0.636 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1CCc1cncn1C ZINC000649744877 398083301 /nfs/dbraw/zinc/08/33/01/398083301.db2.gz QKOFTKPFTHNLSI-NWDGAFQWSA-N 0 3 239.319 0.044 20 0 BCADHN CC(C)NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000613393164 398095763 /nfs/dbraw/zinc/09/57/63/398095763.db2.gz NMEFFWSXMFBSPX-NXEZZACHSA-N 0 3 211.309 0.740 20 0 BCADHN CC(C)NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000613393167 398095986 /nfs/dbraw/zinc/09/59/86/398095986.db2.gz NMEFFWSXMFBSPX-ZJUUUORDSA-N 0 3 211.309 0.740 20 0 BCADHN Cc1cn2c(n1)CC[C@H](N[C@H]1CCN(C)C1=O)C2 ZINC000116391124 398090174 /nfs/dbraw/zinc/09/01/74/398090174.db2.gz BGRQSJZIQHHKGG-QWRGUYRKSA-N 0 3 248.330 0.327 20 0 BCADHN CC(C)[C@H](CCO)NCC(=O)N(C)C(C)C ZINC000231078206 398056162 /nfs/dbraw/zinc/05/61/62/398056162.db2.gz SCQNMRJAZCUSOZ-NSHDSACASA-N 0 3 230.352 0.850 20 0 BCADHN c1c[nH]c(CN[C@@H]2CCc3nc[nH]c3C2)n1 ZINC000309608193 398102297 /nfs/dbraw/zinc/10/22/97/398102297.db2.gz LXZYYSUBYZTIKT-MRVPVSSYSA-N 0 3 217.276 0.780 20 0 BCADHN c1c[nH]c(CN[C@@H]2CCc3[nH]cnc3C2)n1 ZINC000309608193 398102298 /nfs/dbraw/zinc/10/22/98/398102298.db2.gz LXZYYSUBYZTIKT-MRVPVSSYSA-N 0 3 217.276 0.780 20 0 BCADHN FC(F)[C@H]1CNCCN1Cc1ccon1 ZINC000309619798 398103969 /nfs/dbraw/zinc/10/39/69/398103969.db2.gz GTEWDEGPJDOICB-MRVPVSSYSA-N 0 3 217.219 0.714 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCN2)[C@H](C)O1 ZINC000384564766 398097346 /nfs/dbraw/zinc/09/73/46/398097346.db2.gz IGBCNSDBSQAYEY-LMLFDSFASA-N 0 3 226.320 0.811 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCCN2CCO)C[C@H](C)O1 ZINC000245408774 398115479 /nfs/dbraw/zinc/11/54/79/398115479.db2.gz IWCFAPYQHWWKFG-FRRDWIJNSA-N 0 3 242.363 0.552 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000236926502 398117373 /nfs/dbraw/zinc/11/73/73/398117373.db2.gz KGZWUNIZIKWBEX-GUBZILKMSA-N 0 3 230.308 0.034 20 0 BCADHN CC[C@H](N)C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000236912804 398117685 /nfs/dbraw/zinc/11/76/85/398117685.db2.gz SNBRLCANBHUBIH-UMNHJUIQSA-N 0 3 228.336 0.781 20 0 BCADHN CCOC(=O)[C@@H](C)CNC(=O)[C@@H](N)[C@H](C)CC ZINC000236943985 398118624 /nfs/dbraw/zinc/11/86/24/398118624.db2.gz ZSLKRMMPPXSNKI-UTLUCORTSA-N 0 3 244.335 0.675 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CCCCN1)c1cnn(C)c1 ZINC000237447539 398111612 /nfs/dbraw/zinc/11/16/12/398111612.db2.gz BQVLDQPPJMYYHN-ONGXEEELSA-N 0 3 236.319 0.739 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2ccon2)[C@@H](C)CN1 ZINC000237441425 398112140 /nfs/dbraw/zinc/11/21/40/398112140.db2.gz WFQLMOGZYXXKNC-BDAKNGLRSA-N 0 3 223.276 0.426 20 0 BCADHN CC[C@H](C)CN(C)C(=O)C(C)S(C)(=O)=O ZINC000340673015 171270821 /nfs/dbraw/zinc/27/08/21/171270821.db2.gz XSYUTGVCLALKTJ-IUCAKERBSA-N 0 3 235.349 0.924 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C2CC(C)(O)C2)C1 ZINC000650322999 398112332 /nfs/dbraw/zinc/11/23/32/398112332.db2.gz ZMYIVWBLUMIVLV-URAGZPLESA-N 0 3 238.331 0.310 20 0 BCADHN COCC(COC)NC[C@H](OC)C1CC1 ZINC000384868295 398113351 /nfs/dbraw/zinc/11/33/51/398113351.db2.gz QIUGPKXTBVRSRD-NSHDSACASA-N 0 3 217.309 0.662 20 0 BCADHN COCCOCC(=O)NCC1(N(C)C)CCC1 ZINC000220941390 398114369 /nfs/dbraw/zinc/11/43/69/398114369.db2.gz LFWOBZMQPGTUGK-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H](N)CC(F)F)[C@@H](C)O1 ZINC000384876513 398114387 /nfs/dbraw/zinc/11/43/87/398114387.db2.gz JCSJMTKPUAKENY-XUTVFYLZSA-N 0 3 236.262 0.651 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H](N)CC(F)F)[C@@H](C)O1 ZINC000384876512 398114438 /nfs/dbraw/zinc/11/44/38/398114438.db2.gz JCSJMTKPUAKENY-NGJRWZKOSA-N 0 3 236.262 0.651 20 0 BCADHN C[C@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452977408 398131700 /nfs/dbraw/zinc/13/17/00/398131700.db2.gz QLJHGQZPCKWWKP-WRWGMCAJSA-N 0 3 238.331 0.574 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCC(C)(C)OC ZINC000133471614 171394718 /nfs/dbraw/zinc/39/47/18/171394718.db2.gz LCSUJFUARWRSBX-IUCAKERBSA-N 0 3 216.325 0.901 20 0 BCADHN COc1ccc(CN[C@H](C)[C@@H](C)O)nc1 ZINC000514668471 398130332 /nfs/dbraw/zinc/13/03/32/398130332.db2.gz DRGZTLQTWDNSKR-RKDXNWHRSA-N 0 3 210.277 0.949 20 0 BCADHN CC(C)COC1CCN([C@H]2COC[C@H]2O)CC1 ZINC000340291910 167022716 /nfs/dbraw/zinc/02/27/16/167022716.db2.gz YDAFAZKWCRATGE-QWHCGFSZSA-N 0 3 243.347 0.883 20 0 BCADHN CC(C)NC(=O)CCN1CCC[C@@H](O)C1 ZINC000046502236 167040602 /nfs/dbraw/zinc/04/06/02/167040602.db2.gz DHGZZRMGHXKYCS-SNVBAGLBSA-N 0 3 214.309 0.358 20 0 BCADHN CNC(=O)C[C@H](C)NCC(=O)NC(C)(C)C ZINC000336766364 173282035 /nfs/dbraw/zinc/28/20/35/173282035.db2.gz OVJPVXZKUXVLAW-QMMMGPOBSA-N 0 3 229.324 0.015 20 0 BCADHN CNCC(=O)N1CC[C@H]2[C@@H](C(F)(F)F)[C@H]21 ZINC000309520513 173327943 /nfs/dbraw/zinc/32/79/43/173327943.db2.gz BJAAMGBKASENHV-ARDNSNSESA-N 0 3 222.210 0.615 20 0 BCADHN COCCN1CCCN([C@@H](C)CO)CC1 ZINC000375502131 174305914 /nfs/dbraw/zinc/30/59/14/174305914.db2.gz QGVDVJHBEBSBEV-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN Fc1cccc(CNC[C@@H]2COCCN2)c1 ZINC000258835140 322878497 /nfs/dbraw/zinc/87/84/97/322878497.db2.gz DMOISZUKQZIBNL-GFCCVEGCSA-N 0 3 224.279 0.904 20 0 BCADHN CC(C)NS(=O)(=O)NCC1(N(C)C)CCC1 ZINC000332064686 167125572 /nfs/dbraw/zinc/12/55/72/167125572.db2.gz RCIKRXCFCSXDJP-UHFFFAOYSA-N 0 3 249.380 0.303 20 0 BCADHN CC(C)NS(=O)(=O)N(C)C[C@H]1CCN(C)C1 ZINC000408143812 167124261 /nfs/dbraw/zinc/12/42/61/167124261.db2.gz XZTCMVUYCQOFCE-JTQLQIEISA-N 0 3 249.380 0.113 20 0 BCADHN COc1cccc(CNC[C@H]2COCCN2)c1 ZINC000258965251 322880381 /nfs/dbraw/zinc/88/03/81/322880381.db2.gz SEOFTBPXEZSNNO-LBPRGKRZSA-N 0 3 236.315 0.773 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ncc[nH]1 ZINC000668800693 487561161 /nfs/dbraw/zinc/56/11/61/487561161.db2.gz XSUYPJQBEKFFOI-SNVBAGLBSA-N 0 3 236.319 0.824 20 0 BCADHN C[C@@H]1CSC[C@@H]1NCC(=O)N(C)C ZINC000308203303 176352281 /nfs/dbraw/zinc/35/22/81/176352281.db2.gz WTZJQMOHSKBQHL-SFYZADRCSA-N 0 3 202.323 0.416 20 0 BCADHN CC(C)OC(=O)CCNC(=O)[C@H]1CCCN1C ZINC000330684868 167156261 /nfs/dbraw/zinc/15/62/61/167156261.db2.gz TVQVCKIDVNQNMF-SNVBAGLBSA-N 0 3 242.319 0.539 20 0 BCADHN Nc1ccc(CN2CC[C@H](CO)C2)cn1 ZINC000161693541 487564842 /nfs/dbraw/zinc/56/48/42/487564842.db2.gz WZTRJNMPLZIIOI-JTQLQIEISA-N 0 3 207.277 0.478 20 0 BCADHN CC(C)OC1CC(N[C@H]2CCCNC2=O)C1 ZINC000333627597 167177198 /nfs/dbraw/zinc/17/71/98/167177198.db2.gz ZMNPHNZLHGLNKQ-ILDUYXDCSA-N 0 3 226.320 0.811 20 0 BCADHN OC[C@H](CNCc1cnc2cnccn12)C1CC1 ZINC000685633333 487569023 /nfs/dbraw/zinc/56/90/23/487569023.db2.gz GJSRMQODMAXFMR-NSHDSACASA-N 0 3 246.314 0.837 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@H](N)CC(C)C)C1 ZINC000151883530 487572151 /nfs/dbraw/zinc/57/21/51/487572151.db2.gz FZSKKMJMSXBTTB-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN CN(Cc1ncc[nH]1)C(=O)C12CCCN1CCC2 ZINC000685721800 487575176 /nfs/dbraw/zinc/57/51/76/487575176.db2.gz RPYLWIKHKWWTGX-UHFFFAOYSA-N 0 3 248.330 0.997 20 0 BCADHN CC[C@H](C)OCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659386834 487575552 /nfs/dbraw/zinc/57/55/52/487575552.db2.gz IMSJNVYQKKSQCT-IVZWLZJFSA-N 0 3 232.299 0.699 20 0 BCADHN CC(C)NCC(=O)NCC(C)(C)C[C@@H](C)O ZINC000393595814 487576075 /nfs/dbraw/zinc/57/60/75/487576075.db2.gz YPNXEAANEAKICB-SNVBAGLBSA-N 0 3 230.352 0.898 20 0 BCADHN c1cc([C@@H]2CCCN(Cc3c[nH]nn3)C2)n[nH]1 ZINC000670990566 487577281 /nfs/dbraw/zinc/57/72/81/487577281.db2.gz YVEAXAZQQICVEU-SECBINFHSA-N 0 3 232.291 0.907 20 0 BCADHN CC(C)OCCCNC(=O)C(N)C(F)(F)F ZINC000353149482 167221602 /nfs/dbraw/zinc/22/16/02/167221602.db2.gz MRRJRKRGXNHQCX-SSDOTTSWSA-N 0 3 242.241 0.807 20 0 BCADHN CC(C)OCCN(CCO)C[C@@H](C)O ZINC000336702375 167227150 /nfs/dbraw/zinc/22/71/50/167227150.db2.gz YYJVRJMWIZNCJN-SNVBAGLBSA-N 0 3 205.298 0.087 20 0 BCADHN COC[C@@H]1CCCN1CC(=O)N(C)C ZINC000674468735 487581491 /nfs/dbraw/zinc/58/14/91/487581491.db2.gz CORSHXODZCVMCR-VIFPVBQESA-N 0 3 200.282 0.185 20 0 BCADHN CC(C)OCCN1CCC[C@](O)(C(N)=O)C1 ZINC000330364069 167230408 /nfs/dbraw/zinc/23/04/08/167230408.db2.gz CYEOUYPXSYDYAQ-LLVKDONJSA-N 0 3 230.308 0.774 20 0 BCADHN O[C@@H]1C[C@H](O)CN(CCOc2ccccc2)C1 ZINC000674466253 487582637 /nfs/dbraw/zinc/58/26/37/487582637.db2.gz YEWOLMYJLUFKGK-TXEJJXNPSA-N 0 3 237.299 0.493 20 0 BCADHN CCO[C@H]1C[C@](N)(C(=O)N(C)C)C1(C)C ZINC000162521511 487582739 /nfs/dbraw/zinc/58/27/39/487582739.db2.gz AJIKADVYJNQZAD-KWQFWETISA-N 0 3 214.309 0.607 20 0 BCADHN CC(C)OCCN1CCN(CC[C@H](C)O)CC1 ZINC000336709201 167236145 /nfs/dbraw/zinc/23/61/45/167236145.db2.gz JHLQZCCNZQMWTJ-ZDUSSCGKSA-N 0 3 244.379 0.800 20 0 BCADHN CNCC(=O)Nc1ccnn1C(C)(C)C ZINC000082276190 487585575 /nfs/dbraw/zinc/58/55/75/487585575.db2.gz PBIHEYKDGWUWLJ-UHFFFAOYSA-N 0 3 210.281 0.796 20 0 BCADHN CN1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC000082266788 487585627 /nfs/dbraw/zinc/58/56/27/487585627.db2.gz IBAZMMQDGUEDKO-UHFFFAOYSA-N 0 3 208.265 0.234 20 0 BCADHN CCn1cc(NC(=O)CNC(C)C)cn1 ZINC000037477159 487585682 /nfs/dbraw/zinc/58/56/82/487585682.db2.gz UGHOYMNSILGGRN-UHFFFAOYSA-N 0 3 210.281 0.840 20 0 BCADHN CC(C)OC[C@@H](C)NCC(=O)NC1CC1 ZINC000336748338 167255222 /nfs/dbraw/zinc/25/52/22/167255222.db2.gz DHRPKFIDVZQHDV-SECBINFHSA-N 0 3 214.309 0.668 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)n(C)n1 ZINC000659389364 487587425 /nfs/dbraw/zinc/58/74/25/487587425.db2.gz MHAJWPQPLAOZNW-RKDXNWHRSA-N 0 3 240.282 0.240 20 0 BCADHN CNCC(=O)Nc1nc2ccccc2n1C ZINC000082276206 487587528 /nfs/dbraw/zinc/58/75/28/487587528.db2.gz FFCDJAHXFHMHAA-UHFFFAOYSA-N 0 3 218.260 0.731 20 0 BCADHN CCNC(=O)CN[C@@H]1CS[C@H](C)C1 ZINC000086934869 487592059 /nfs/dbraw/zinc/59/20/59/487592059.db2.gz GIWQFADRHROTTG-SFYZADRCSA-N 0 3 202.323 0.606 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CS[C@H](C)C1 ZINC000086934874 487591949 /nfs/dbraw/zinc/59/19/49/487591949.db2.gz WNSRNDJRIPWLHS-BDAKNGLRSA-N 0 3 216.350 0.995 20 0 BCADHN CN1CC[C@H]2OCCN(CC(F)F)[C@@H]2C1 ZINC000671494580 487595307 /nfs/dbraw/zinc/59/53/07/487595307.db2.gz OAQMCEUMJQHWFF-RKDXNWHRSA-N 0 3 220.263 0.656 20 0 BCADHN CN1CC[C@H](C(=O)N2CCOc3ccncc32)C1 ZINC000531408431 487600441 /nfs/dbraw/zinc/60/04/41/487600441.db2.gz MZBBEEAWWPUYOP-JTQLQIEISA-N 0 3 247.298 0.759 20 0 BCADHN CN1CC[C@@H](C(=O)N2CCOc3ccncc32)C1 ZINC000531408441 487601164 /nfs/dbraw/zinc/60/11/64/487601164.db2.gz MZBBEEAWWPUYOP-SNVBAGLBSA-N 0 3 247.298 0.759 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)Cn2cncn2)CN1C1CC1 ZINC000674689949 487606189 /nfs/dbraw/zinc/60/61/89/487606189.db2.gz SOPQXEJMEKHQFB-NXEZZACHSA-N 0 3 249.318 0.020 20 0 BCADHN CN(CCN1CCCC1)C(=O)[C@H]1CCOC1 ZINC000103115798 487609262 /nfs/dbraw/zinc/60/92/62/487609262.db2.gz IVURHJTVGAJJQN-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN CC(C)SCCN1C[C@@H](O)C[C@H]1CO ZINC000374916267 167328816 /nfs/dbraw/zinc/32/88/16/167328816.db2.gz PYZCOLAHEGFPBA-UWVGGRQHSA-N 0 3 219.350 0.556 20 0 BCADHN 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ZINC000660739271 409686891 /nfs/dbraw/zinc/68/68/91/409686891.db2.gz UTPQVXJWYGHOMV-JTQLQIEISA-N 0 3 223.324 0.721 20 0 BCADHN c1n[nH]nc1CCN1CCC[C@@H]2COC[C@@H]21 ZINC000660780644 409737032 /nfs/dbraw/zinc/73/70/32/409737032.db2.gz OBJNSPSRVFERLX-KOLCDFICSA-N 0 3 222.292 0.458 20 0 BCADHN O=C(NCc1cc[nH]n1)C1(NC2CC2)CCC1 ZINC000662506541 409737802 /nfs/dbraw/zinc/73/78/02/409737802.db2.gz BLTCLGKIVGEQSH-UHFFFAOYSA-N 0 3 234.303 0.701 20 0 BCADHN CC[C@H](NC)C(=O)Nc1ccncc1C ZINC000662529314 409745539 /nfs/dbraw/zinc/74/55/39/409745539.db2.gz VJCMUPBWRLNSNE-VIFPVBQESA-N 0 3 207.277 0.748 20 0 BCADHN CCO[C@@H]1C[C@H](NC(=O)CNC(C)C)[C@@H]1OC ZINC000662542066 409750025 /nfs/dbraw/zinc/75/00/25/409750025.db2.gz MGRPNJAILPDODO-UMNHJUIQSA-N 0 3 244.335 0.293 20 0 BCADHN CCCN(C)CC(=O)NCC1(COC)CC1 ZINC000655259834 409765089 /nfs/dbraw/zinc/76/50/89/409765089.db2.gz BKVPQMHXPVKPOJ-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CC[C@H](N)C(=O)Nc1cccnc1-n1cncn1 ZINC000040500101 409823936 /nfs/dbraw/zinc/82/39/36/409823936.db2.gz UFAWWQZSJMLUFX-QMMMGPOBSA-N 0 3 246.274 0.338 20 0 BCADHN NCC(F)(F)CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000653112892 409824054 /nfs/dbraw/zinc/82/40/54/409824054.db2.gz MCIRELGOSVUKCV-QMMMGPOBSA-N 0 3 247.289 0.323 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000662667836 409826059 /nfs/dbraw/zinc/82/60/59/409826059.db2.gz ZBKYBBZMSVAKIB-KXUCPTDWSA-N 0 3 214.309 0.668 20 0 BCADHN CO[C@@H](C)CNC(=O)N[C@H]1CCCN(C)C1 ZINC000660838419 409827004 /nfs/dbraw/zinc/82/70/04/409827004.db2.gz VMHGBSAJGCSXPG-UWVGGRQHSA-N 0 3 229.324 0.415 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCc1cnn(C)c1 ZINC000041055094 409829973 /nfs/dbraw/zinc/82/99/73/409829973.db2.gz FYBVVFZWMTZEQL-SNVBAGLBSA-N 0 3 224.308 0.410 20 0 BCADHN CC[C@@H](C)CC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655295585 409832175 /nfs/dbraw/zinc/83/21/75/409832175.db2.gz KCUDFVMFEVJMEG-GRYCIOLGSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](O)CCN(C)C(=O)C1(NC2CC2)CCC1 ZINC000662612151 409786546 /nfs/dbraw/zinc/78/65/46/409786546.db2.gz MXRSEGHXSGWUBM-JTQLQIEISA-N 0 3 240.347 0.890 20 0 BCADHN C[C@@H](NC1COCCOC1)[C@H]1CCCO1 ZINC000308831560 409910356 /nfs/dbraw/zinc/91/03/56/409910356.db2.gz JQNUJROHGQMHNG-MWLCHTKSSA-N 0 3 215.293 0.559 20 0 BCADHN CN(C)CC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655350327 409922001 /nfs/dbraw/zinc/92/20/01/409922001.db2.gz IDWJYPCEFQANQE-NWDGAFQWSA-N 0 3 239.363 0.681 20 0 BCADHN COCCNCC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000662706459 409858991 /nfs/dbraw/zinc/85/89/91/409858991.db2.gz VYODEAMFFWYPHJ-UWVGGRQHSA-N 0 3 212.293 0.091 20 0 BCADHN NC1(C(=O)N2CC[C@H]3COC[C@H]3C2)CCC1 ZINC000662712750 409865791 /nfs/dbraw/zinc/86/57/91/409865791.db2.gz TVFAUJHHRILGRQ-VHSXEESVSA-N 0 3 224.304 0.363 20 0 BCADHN NCC(F)(F)CC(=O)NCc1cnc[nH]1 ZINC000653150500 409875558 /nfs/dbraw/zinc/87/55/58/409875558.db2.gz DAKVOUCLUIRGRS-UHFFFAOYSA-N 0 3 218.207 0.010 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000662735533 409878656 /nfs/dbraw/zinc/87/86/56/409878656.db2.gz DYHMPAXFOZLJPD-IJJXPJNWSA-N 0 3 234.274 0.927 20 0 BCADHN C[C@H](N)C(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000662760905 409886879 /nfs/dbraw/zinc/88/68/79/409886879.db2.gz MGXTZQRRQOPYBY-GUBZILKMSA-N 0 3 226.320 0.750 20 0 BCADHN Cc1cc(CC(=O)N2CCN[C@H](C)[C@@H]2C)on1 ZINC000662776780 409895801 /nfs/dbraw/zinc/89/58/01/409895801.db2.gz ZXNUOIZZFOEWMY-ZJUUUORDSA-N 0 3 237.303 0.734 20 0 BCADHN COC[C@H](CN(C[C@@H](C)O)C1CC1)OC ZINC000660925894 409974115 /nfs/dbraw/zinc/97/41/15/409974115.db2.gz ISGYKAPDHFPLIV-KOLCDFICSA-N 0 3 217.309 0.493 20 0 BCADHN CCN(C)C[C@@H](O)CSc1nncn1C ZINC000309008781 487611594 /nfs/dbraw/zinc/61/15/94/487611594.db2.gz OEQUZZQXFLJYOX-MRVPVSSYSA-N 0 3 230.337 0.220 20 0 BCADHN CC(C)(N)C(=O)NC[C@]1(C)CC1(F)F ZINC000658954694 409985382 /nfs/dbraw/zinc/98/53/82/409985382.db2.gz RHWQKPTWFDZHCI-QMMMGPOBSA-N 0 3 206.236 0.885 20 0 BCADHN CC1(C)COC[C@@H]1NCCn1ccccc1=O ZINC000313035703 409988354 /nfs/dbraw/zinc/98/83/54/409988354.db2.gz WRAXTUQBVFAKLF-NSHDSACASA-N 0 3 236.315 0.863 20 0 BCADHN CCN(CC)CC(=O)N(C)Cc1nc(C)no1 ZINC000655357382 409927667 /nfs/dbraw/zinc/92/76/67/409927667.db2.gz YGYDOZDKSLLYGK-UHFFFAOYSA-N 0 3 240.307 0.678 20 0 BCADHN CC(C)[C@@H](C)CNC(=O)CN1CCNCC1 ZINC000081087969 487611711 /nfs/dbraw/zinc/61/17/11/487611711.db2.gz AXJFDPKYPKSSST-NSHDSACASA-N 0 3 227.352 0.300 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@@H](C)N)CC1 ZINC000662833931 409939778 /nfs/dbraw/zinc/93/97/78/409939778.db2.gz BOIGNXHAMMKRMN-BDAKNGLRSA-N 0 3 200.282 0.361 20 0 BCADHN CC1(C)CCCN(C(=O)CN2CCNCC2)C1 ZINC000070260191 410015268 /nfs/dbraw/zinc/01/52/68/410015268.db2.gz QPHZYZDFHLRPLV-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN CN(C[C@@H]1CC1(C)C)C(=O)C[C@@H]1CNCCO1 ZINC000662991361 410016405 /nfs/dbraw/zinc/01/64/05/410016405.db2.gz SSGPHQSXHBTQQU-WDEREUQCSA-N 0 3 240.347 0.869 20 0 BCADHN CCNC(=O)[C@H](C)NC[C@@](C)(OC)C1CC1 ZINC000390473291 410024475 /nfs/dbraw/zinc/02/44/75/410024475.db2.gz IABZVQAHZBSUQS-JOYOIKCWSA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@H](NC)C(=O)Nc1nn(C)cc1C ZINC000662970606 410000219 /nfs/dbraw/zinc/00/02/19/410000219.db2.gz MYQKRMJIUUJWPI-QMMMGPOBSA-N 0 3 210.281 0.665 20 0 BCADHN C[C@H]1CN(CCN2CC[C@H](O)C2)C[C@H](C)O1 ZINC000314404226 410002243 /nfs/dbraw/zinc/00/22/43/410002243.db2.gz RVYSYXPXDYXANB-SRVKXCTJSA-N 0 3 228.336 0.162 20 0 BCADHN COc1ncncc1CNC1CCN(C)CC1 ZINC000647168562 410053163 /nfs/dbraw/zinc/05/31/63/410053163.db2.gz BADBFOHPQPTKCN-UHFFFAOYSA-N 0 3 236.319 0.669 20 0 BCADHN CCN(CC)CC(=O)N(C)Cc1cnn(C)c1 ZINC000076673968 410062239 /nfs/dbraw/zinc/06/22/39/410062239.db2.gz XDFLQEUAXAQNFG-UHFFFAOYSA-N 0 3 238.335 0.720 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCN(CC(=O)N(C)C)CC1 ZINC000683109331 487613432 /nfs/dbraw/zinc/61/34/32/487613432.db2.gz HTQPDYNMFIQTOS-NEPJUHHUSA-N 0 3 239.363 0.348 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@H](CO)C2)C[C@@H](C)O1 ZINC000314429507 410071011 /nfs/dbraw/zinc/07/10/11/410071011.db2.gz WCNWIRLOWKMQOT-UPJWGTAASA-N 0 3 242.363 0.410 20 0 BCADHN CCCN(C)CC(=O)N(C[C@@H](C)O)C1CC1 ZINC000655373826 410078342 /nfs/dbraw/zinc/07/83/42/410078342.db2.gz HJFNTUNUSJCORT-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN CC(C)(N)C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000653175173 410149676 /nfs/dbraw/zinc/14/96/76/410149676.db2.gz PZHCBPFSPFWPGI-SNVBAGLBSA-N 0 3 238.287 0.917 20 0 BCADHN C[C@@H]1SCC[C@H]1NC(=O)C(N)C(F)(F)F ZINC000653176262 410152338 /nfs/dbraw/zinc/15/23/38/410152338.db2.gz OEZKJWIKHBLFFJ-JKUQZMGJSA-N 0 3 242.266 0.886 20 0 BCADHN C[C@H](COCC1CC1)N[C@@H](C)CS(C)(=O)=O ZINC000651983634 410130366 /nfs/dbraw/zinc/13/03/66/410130366.db2.gz DSTSGSBBWOCNSU-ZJUUUORDSA-N 0 3 249.376 0.824 20 0 BCADHN O=C(C[C@H]1CSCCN1)N1CCCCN1 ZINC000653171889 410140815 /nfs/dbraw/zinc/14/08/15/410140815.db2.gz NPDXAZSBXLVFGW-VIFPVBQESA-N 0 3 229.349 0.209 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCCCN1 ZINC000653171571 410141356 /nfs/dbraw/zinc/14/13/56/410141356.db2.gz AQIOMZRENDDTBA-GHMZBOCLSA-N 0 3 225.336 0.986 20 0 BCADHN CN(Cc1c[nH]cn1)C[C@H](O)CN(C)C1CC1 ZINC000661091161 410163289 /nfs/dbraw/zinc/16/32/89/410163289.db2.gz WBTOURSZBKULOT-LBPRGKRZSA-N 0 3 238.335 0.297 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000653209504 410166437 /nfs/dbraw/zinc/16/64/37/410166437.db2.gz HPNWOPYZGRZBBJ-WDEREUQCSA-N 0 3 233.315 0.877 20 0 BCADHN CN1CCC[C@@H](NC(=O)Cc2cncc(O)c2)C1 ZINC000655391396 410195109 /nfs/dbraw/zinc/19/51/09/410195109.db2.gz LYMFKSCGCAAEOC-LLVKDONJSA-N 0 3 249.314 0.540 20 0 BCADHN C[C@H](C[C@H]1CCOC1)NC(=O)[C@H](C)N ZINC000309011772 410197235 /nfs/dbraw/zinc/19/72/35/410197235.db2.gz SCYONYVCWDJGMH-HRDYMLBCSA-N 0 3 200.282 0.265 20 0 BCADHN CC[C@@H](O)CNCc1cnccc1OC ZINC000309033542 410201925 /nfs/dbraw/zinc/20/19/25/410201925.db2.gz DFTQQMYIDFMAAE-SNVBAGLBSA-N 0 3 210.277 0.951 20 0 BCADHN CCn1cc(CN(C(=O)[C@@H](C)N)C(C)C)cn1 ZINC000653253057 410233471 /nfs/dbraw/zinc/23/34/71/410233471.db2.gz FPQMEXUCUJSTFS-SNVBAGLBSA-N 0 3 238.335 0.987 20 0 BCADHN C[C@@H](COCC1CC1)NC(=O)[C@@H]1NCC1(C)C ZINC000653255051 410235169 /nfs/dbraw/zinc/23/51/69/410235169.db2.gz HLNSMCZSIBOATL-ONGXEEELSA-N 0 3 240.347 0.916 20 0 BCADHN CNCC(=O)N[C@@H](C)COCC1CC1 ZINC000653255057 410235196 /nfs/dbraw/zinc/23/51/96/410235196.db2.gz HPBPCJQIPLFRAE-QMMMGPOBSA-N 0 3 200.282 0.137 20 0 BCADHN CN1CCC[C@@H](NC(=O)c2cnccc2N)C1 ZINC000127338287 410330826 /nfs/dbraw/zinc/33/08/26/410330826.db2.gz VGOMHWZWTMPAGJ-SECBINFHSA-N 0 3 234.303 0.488 20 0 BCADHN C[C@@H]1C[C@H](NCC(=O)NCC2CC2)CS1 ZINC000393053670 410290404 /nfs/dbraw/zinc/29/04/04/410290404.db2.gz ICLQCSVRLRMZNV-SCZZXKLOSA-N 0 3 228.361 0.996 20 0 BCADHN C[C@H]1C[C@@H](NCC(=O)NCC2CC2)CS1 ZINC000393053671 410290563 /nfs/dbraw/zinc/29/05/63/410290563.db2.gz ICLQCSVRLRMZNV-WCBMZHEXSA-N 0 3 228.361 0.996 20 0 BCADHN O=C(CN[C@H](CO)C1CCC1)NCC1CCC1 ZINC000661155741 410308770 /nfs/dbraw/zinc/30/87/70/410308770.db2.gz RLTYHGJUZBRRRH-GFCCVEGCSA-N 0 3 240.347 0.653 20 0 BCADHN CC(C)c1cc(N[C@H](CO)CN(C)C)ncn1 ZINC000663910315 410368442 /nfs/dbraw/zinc/36/84/42/410368442.db2.gz HTWOMPJIEBRJQL-JTQLQIEISA-N 0 3 238.335 0.934 20 0 BCADHN CC(C)NCC(=O)NCC1(C)COC1 ZINC000087197976 487615580 /nfs/dbraw/zinc/61/55/80/487615580.db2.gz QIIUBOXQBTVJPG-UHFFFAOYSA-N 0 3 200.282 0.137 20 0 BCADHN C[C@H]1CN(CCN2CCC[C@H](O)C2)C[C@H](C)O1 ZINC000314591682 410458839 /nfs/dbraw/zinc/45/88/39/410458839.db2.gz NADDSCHLKKFYHF-AVGNSLFASA-N 0 3 242.363 0.552 20 0 BCADHN CN1CCC[C@H](NC(=O)[C@H](N)CC(F)F)C1 ZINC000309222514 410459676 /nfs/dbraw/zinc/45/96/76/410459676.db2.gz YOVULUROVXCTKM-JGVFFNPUSA-N 0 3 235.278 0.179 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000225523245 487616464 /nfs/dbraw/zinc/61/64/64/487616464.db2.gz RDWAYHWDLPGRKS-HRDYMLBCSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1COC(C)(C)C1)N(C)C ZINC000661273864 410444459 /nfs/dbraw/zinc/44/44/59/410444459.db2.gz AQBYZVYTDMETKA-VHSXEESVSA-N 0 3 243.351 0.803 20 0 BCADHN CCN(CC)C(=O)C(C)S(C)(=O)=O ZINC000097324640 169758491 /nfs/dbraw/zinc/75/84/91/169758491.db2.gz KFYHTIQICVXGRJ-ZETCQYMHSA-N 0 3 207.295 0.288 20 0 BCADHN CCN1C[C@H](CNCc2ncc[nH]2)CC1=O ZINC000652002440 410569424 /nfs/dbraw/zinc/56/94/24/410569424.db2.gz OCZBQYBOCIIBBN-VIFPVBQESA-N 0 3 222.292 0.368 20 0 BCADHN CCN1C[C@@H](CNCc2cnc(C)nc2)CC1=O ZINC000652002336 410569632 /nfs/dbraw/zinc/56/96/32/410569632.db2.gz LOOKHANYTBMBGS-LLVKDONJSA-N 0 3 248.330 0.743 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000653275394 410561499 /nfs/dbraw/zinc/56/14/99/410561499.db2.gz DRFQFNRJKBSHOF-VXNVDRBHSA-N 0 3 218.247 0.981 20 0 BCADHN CN(C)c1ccncc1C(=O)NCc1c[nH]nn1 ZINC000680583234 487618021 /nfs/dbraw/zinc/61/80/21/487618021.db2.gz OTXVJXLFFKUCHK-UHFFFAOYSA-N 0 3 246.274 0.196 20 0 BCADHN C[C@H]1CCN([C@@H]2CC(=O)NC2=O)CC12CCC2 ZINC000653280766 410635646 /nfs/dbraw/zinc/63/56/46/410635646.db2.gz IUCVESUCVSEWOM-VHSXEESVSA-N 0 3 236.315 0.914 20 0 BCADHN COC[C@H](C)CN1CC[C@H](C)C[C@H]1C(N)=O ZINC000188585671 410691734 /nfs/dbraw/zinc/69/17/34/410691734.db2.gz LIWDDDKEFYOGHU-AXFHLTTASA-N 0 3 228.336 0.855 20 0 BCADHN C[C@@H]1CCCN(CC(=O)NC2CC2)[C@@H]1CCO ZINC000661486966 410698759 /nfs/dbraw/zinc/69/87/59/410698759.db2.gz MNHSCPGXXSGWJL-ZYHUDNBSSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H]1CCCN(CC(=O)NC2CC2)[C@H]1CCO ZINC000661486964 410699367 /nfs/dbraw/zinc/69/93/67/410699367.db2.gz MNHSCPGXXSGWJL-JQWIXIFHSA-N 0 3 240.347 0.748 20 0 BCADHN CNC(=O)CN1CCC[C@@H](C)[C@@H]1CCO ZINC000661491628 410705707 /nfs/dbraw/zinc/70/57/07/410705707.db2.gz VARKVKXGUZIRRQ-ZJUUUORDSA-N 0 3 214.309 0.215 20 0 BCADHN Cc1cc(CN[C@@H]2COC[C@@H]2O)ccc1F ZINC000134220658 410716284 /nfs/dbraw/zinc/71/62/84/410716284.db2.gz XUWLEPUGMHYASA-NEPJUHHUSA-N 0 3 225.263 0.983 20 0 BCADHN C[C@@H](O)CNCC(=O)N1CCc2ccccc2C1 ZINC000644538792 410735215 /nfs/dbraw/zinc/73/52/15/410735215.db2.gz VEPCYYCVSAHKSD-LLVKDONJSA-N 0 3 248.326 0.542 20 0 BCADHN CN[C@@H](C)C(=O)NCCCc1ccccn1 ZINC000655468782 410678415 /nfs/dbraw/zinc/67/84/15/410678415.db2.gz GMZNKIHZCSOOHP-JTQLQIEISA-N 0 3 221.304 0.738 20 0 BCADHN CO[C@@](C)(CNCC(=O)NC1CC1)C1CC1 ZINC000393752971 410757976 /nfs/dbraw/zinc/75/79/76/410757976.db2.gz FPYCCFXGYUFROP-LBPRGKRZSA-N 0 3 226.320 0.670 20 0 BCADHN CO[C@H](CN[C@H](C)C(=O)NC(C)C)C1CC1 ZINC000393941533 410769044 /nfs/dbraw/zinc/76/90/44/410769044.db2.gz JDYHMNZVEMEHRF-MWLCHTKSSA-N 0 3 228.336 0.914 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000655485670 410778607 /nfs/dbraw/zinc/77/86/07/410778607.db2.gz HPGNQAJHQICLBL-IONNQARKSA-N 0 3 218.247 0.852 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@](C)(COC)C1 ZINC000394487305 410794843 /nfs/dbraw/zinc/79/48/43/410794843.db2.gz WWTJQKNKNMSTMK-MWLCHTKSSA-N 0 3 214.309 0.609 20 0 BCADHN CNCC(=O)NCCc1ncc(C)cc1C ZINC000655489147 410795101 /nfs/dbraw/zinc/79/51/01/410795101.db2.gz UAMPKWJBKRZZQE-UHFFFAOYSA-N 0 3 221.304 0.577 20 0 BCADHN COCC1(CNC(=O)[C@H]2C[C@H](C)CCN2)CC1 ZINC000655490528 410807089 /nfs/dbraw/zinc/80/70/89/410807089.db2.gz MUULFAZVJVOUKF-GHMZBOCLSA-N 0 3 240.347 0.917 20 0 BCADHN COc1c(C)cccc1CNC(=O)CN ZINC000655491351 410809369 /nfs/dbraw/zinc/80/93/69/410809369.db2.gz YZFQPHGAHRGZMA-UHFFFAOYSA-N 0 3 208.261 0.579 20 0 BCADHN COCC1(CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000655490925 410810436 /nfs/dbraw/zinc/81/04/36/410810436.db2.gz WPQGUUBENRINDR-VIFPVBQESA-N 0 3 214.309 0.513 20 0 BCADHN CC(C)OCCNC(=O)[C@H](N)CC(F)F ZINC000309061229 410855686 /nfs/dbraw/zinc/85/56/86/410855686.db2.gz WCERYRBJARQAOR-SSDOTTSWSA-N 0 3 224.251 0.510 20 0 BCADHN CC(C)N1CC[C@H](N(C)Cc2nnn(C)n2)C1 ZINC000333530451 167024697 /nfs/dbraw/zinc/02/46/97/167024697.db2.gz IVSOXPWYHLYZJX-JTQLQIEISA-N 0 3 238.339 0.125 20 0 BCADHN CC(C)NC(=O)CCN1CC[C@H](NC(N)=O)C1 ZINC000330524297 167041982 /nfs/dbraw/zinc/04/19/82/167041982.db2.gz NSDAZOKUJVOUJT-VIFPVBQESA-N 0 3 242.323 0.058 20 0 BCADHN CC(C)NC(=O)CCN[C@H](C)c1cnn(C)c1 ZINC000135104935 167043387 /nfs/dbraw/zinc/04/33/87/167043387.db2.gz IURAAWFDXVMYHD-SNVBAGLBSA-N 0 3 238.335 0.985 20 0 BCADHN CC(C)NC(=O)CCN[C@@H]1C(=O)NCC[C@@H]1C ZINC000193606521 167043327 /nfs/dbraw/zinc/04/33/27/167043327.db2.gz JTNIQNBRCRVFJX-ONGXEEELSA-N 0 3 241.335 0.015 20 0 BCADHN CC(C)NC(=O)CN(C)C(=O)[C@H]1CCCCN1 ZINC000037801291 167046935 /nfs/dbraw/zinc/04/69/35/167046935.db2.gz YNLDNDDVXUXIKE-SNVBAGLBSA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)NC(=O)CN(C)C[C@H]1CCCOC1 ZINC000107693373 167050010 /nfs/dbraw/zinc/05/00/10/167050010.db2.gz WTWOONPSCDMXQF-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@@H](CO)CC1 ZINC000331992263 167051576 /nfs/dbraw/zinc/05/15/76/167051576.db2.gz NRYDFBPQMSAZNU-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)NC(=O)CN1CCCC[C@H]1CCO ZINC000049801255 167052814 /nfs/dbraw/zinc/05/28/14/167052814.db2.gz VZVXKADJULJOPY-NSHDSACASA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)NC(=O)CN[C@H](CO)C1CCCC1 ZINC000336676434 167061584 /nfs/dbraw/zinc/06/15/84/167061584.db2.gz PSKMZRSYTGQTOC-LLVKDONJSA-N 0 3 228.336 0.652 20 0 BCADHN CC(C)NC(=O)N(CCN(C)C)CCN(C)C ZINC000078802650 167066853 /nfs/dbraw/zinc/06/68/53/167066853.db2.gz NYRGMMKLBLLPNM-UHFFFAOYSA-N 0 3 244.383 0.530 20 0 BCADHN CCN(CC[NH3+])C(=O)c1cccc(OC)c1[O-] ZINC000041160309 410910456 /nfs/dbraw/zinc/91/04/56/410910456.db2.gz MGUZPXOXYDDDCL-UHFFFAOYSA-N 0 3 238.287 0.822 20 0 BCADHN CC(C)OC(=O)CCN(C)[C@@H]1COC[C@H]1O ZINC000330600216 167153625 /nfs/dbraw/zinc/15/36/25/167153625.db2.gz FSCMZTJGWHYRCX-NXEZZACHSA-N 0 3 231.292 0.020 20 0 BCADHN CC(C)OC(=O)CCNC(=O)[C@H](N)C(C)C ZINC000353500254 167155927 /nfs/dbraw/zinc/15/59/27/167155927.db2.gz IBXZQVQOXQZOPQ-SNVBAGLBSA-N 0 3 230.308 0.428 20 0 BCADHN CC(C)OC(=O)[C@H](C)CNC(=O)C1(N)CC1 ZINC000161711755 167170770 /nfs/dbraw/zinc/17/07/70/167170770.db2.gz ZOJKAUJUTHLJBA-MRVPVSSYSA-N 0 3 228.292 0.182 20 0 BCADHN Cc1nccc(C(=O)N2CCN[C@H](C)[C@@H]2C)n1 ZINC000396918015 410908925 /nfs/dbraw/zinc/90/89/25/410908925.db2.gz MEQJEQWBGGDMRT-BDAKNGLRSA-N 0 3 234.303 0.607 20 0 BCADHN CC(C)OCC(=O)N1CCC[C@H]1CN(C)C ZINC000122947888 167182194 /nfs/dbraw/zinc/18/21/94/167182194.db2.gz OODWOZOOJYEMOB-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)OCCC(=O)N[C@@H](C)CN(C)C ZINC000346227771 167200288 /nfs/dbraw/zinc/20/02/88/167200288.db2.gz QPTLGNUSJUSJKV-JTQLQIEISA-N 0 3 216.325 0.868 20 0 BCADHN CC(C)OCCCN(CCO)CCO ZINC000049813182 167212025 /nfs/dbraw/zinc/21/20/25/167212025.db2.gz FIOKHCXYFNMPLR-UHFFFAOYSA-N 0 3 205.298 0.088 20 0 BCADHN COc1ccccc1OCCCNC(=O)CN ZINC000041280197 410916037 /nfs/dbraw/zinc/91/60/37/410916037.db2.gz LICGGEWMTRAWJH-UHFFFAOYSA-N 0 3 238.287 0.539 20 0 BCADHN CC(C)OCCN1CCc2n[nH]c(=O)cc2C1 ZINC000275000520 167233945 /nfs/dbraw/zinc/23/39/45/167233945.db2.gz PLBYWILZBFLQQH-UHFFFAOYSA-N 0 3 237.303 0.553 20 0 BCADHN CC(C)OCCN1CC[C@H](NC(N)=O)C1 ZINC000330507901 167234618 /nfs/dbraw/zinc/23/46/18/167234618.db2.gz BKPPGENTUKGZPC-VIFPVBQESA-N 0 3 215.297 0.568 20 0 BCADHN CC(C)OC[C@@H](C)N[C@@H](C)CS(C)(=O)=O ZINC000336766494 167257192 /nfs/dbraw/zinc/25/71/92/167257192.db2.gz SAHGIGPLFUFDHZ-ZJUUUORDSA-N 0 3 237.365 0.823 20 0 BCADHN CC(C)OC[C@H](C)N[C@H](C)C(=O)NCCF ZINC000309350645 167265792 /nfs/dbraw/zinc/26/57/92/167265792.db2.gz MQIGGZIOZWEJOR-VHSXEESVSA-N 0 3 234.315 0.864 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000655495742 410918789 /nfs/dbraw/zinc/91/87/89/410918789.db2.gz URGZYFFIBIKNNK-GXSJLCMTSA-N 0 3 226.320 0.894 20 0 BCADHN CC(C)SCCNC1(C(N)=O)CC1 ZINC000308132358 167330144 /nfs/dbraw/zinc/33/01/44/167330144.db2.gz BSFSXLJSLPLKHY-UHFFFAOYSA-N 0 3 202.323 0.736 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCCOCC1)N(C)C ZINC000334458399 167341978 /nfs/dbraw/zinc/34/19/78/167341978.db2.gz RACGSWGXNGOHSP-NSHDSACASA-N 0 3 228.336 0.822 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@@H](C)O)N1CCCCC1 ZINC000352698622 167342431 /nfs/dbraw/zinc/34/24/31/167342431.db2.gz URUMLPYYVLVKCM-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)Cc1nnc[n-]1)[NH+](C)C ZINC000269355738 167342706 /nfs/dbraw/zinc/34/27/06/167342706.db2.gz SROHRDATMWDUEF-JTQLQIEISA-N 0 3 239.323 0.349 20 0 BCADHN CC(C)[C@@H](C(=O)NCCn1cccn1)N(C)C ZINC000106910087 167343090 /nfs/dbraw/zinc/34/30/90/167343090.db2.gz UPTKLYMKYDGQFM-NSHDSACASA-N 0 3 238.335 0.586 20 0 BCADHN CC(C)[C@@H](C(=O)NCCC(C)(C)O)N(C)C ZINC000359457403 167343135 /nfs/dbraw/zinc/34/31/35/167343135.db2.gz NIMWZLMIZCLDCH-JTQLQIEISA-N 0 3 230.352 0.850 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)C ZINC000129475462 167343343 /nfs/dbraw/zinc/34/33/43/167343343.db2.gz MCDAVFNBZFQAMY-QWRGUYRKSA-N 0 3 228.336 0.868 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)N(C)C)N(C)C ZINC000359334260 167344293 /nfs/dbraw/zinc/34/42/93/167344293.db2.gz SFDWVWCDSHPMSJ-UWVGGRQHSA-N 0 3 243.351 0.166 20 0 BCADHN CC(C)[C@@H](C(=O)NCc1nncn1C)N(C)C ZINC000330925092 167344966 /nfs/dbraw/zinc/34/49/66/167344966.db2.gz GNORHANYWABKEY-JTQLQIEISA-N 0 3 239.323 0.018 20 0 BCADHN CC(C)[C@@H](C(=O)NCc1nccn1C)N(C)C ZINC000268097181 167345014 /nfs/dbraw/zinc/34/50/14/167345014.db2.gz VWBUYBXKQWUKFK-NSHDSACASA-N 0 3 238.335 0.623 20 0 BCADHN CC(C)[C@@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000069685304 167351419 /nfs/dbraw/zinc/35/14/19/167351419.db2.gz QEHZRJYEXPXGTI-ZJUUUORDSA-N 0 3 214.309 0.383 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000300715440 167391146 /nfs/dbraw/zinc/39/11/46/167391146.db2.gz AZOJOJSISVHQMC-UTUOFQBUSA-N 0 3 242.363 0.898 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)C(N)C(F)(F)F ZINC000352922632 167391310 /nfs/dbraw/zinc/39/13/10/167391310.db2.gz PLKAVSMAGUYIFK-RNFRBKRXSA-N 0 3 242.241 0.399 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000300715439 167391884 /nfs/dbraw/zinc/39/18/84/167391884.db2.gz AZOJOJSISVHQMC-IJLUTSLNSA-N 0 3 242.363 0.898 20 0 BCADHN C[C@H](C[C@@H]1CCOC1)NC(=O)C(C)(C)N ZINC000309424453 410940959 /nfs/dbraw/zinc/94/09/59/410940959.db2.gz KDBPWKQFWSATDJ-BDAKNGLRSA-N 0 3 214.309 0.655 20 0 BCADHN NC(=O)c1ccc(CN[C@@H](CO)CCF)cc1 ZINC000652015587 410970234 /nfs/dbraw/zinc/97/02/34/410970234.db2.gz HMHRVKDIICDKTF-LLVKDONJSA-N 0 3 240.278 0.596 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2ccc(O)cc2)C1 ZINC000398524797 410971587 /nfs/dbraw/zinc/97/15/87/410971587.db2.gz UQDGGJLXLJEFNF-LLVKDONJSA-N 0 3 234.299 0.960 20 0 BCADHN C[C@@H](Cc1ccccn1)NC(=O)CNC1CC1 ZINC000655498968 411013191 /nfs/dbraw/zinc/01/31/91/411013191.db2.gz GQYLCBNTDYXKNK-JTQLQIEISA-N 0 3 233.315 0.881 20 0 BCADHN COCCn1cc(CN[C@@H](CO)CCF)cn1 ZINC000652018068 410989508 /nfs/dbraw/zinc/98/95/08/410989508.db2.gz JRMROKYYSUMEPQ-LLVKDONJSA-N 0 3 245.298 0.340 20 0 BCADHN O=C1CC[C@@H]2CN(CCn3cccn3)CC[C@H]2N1 ZINC000661598426 410992402 /nfs/dbraw/zinc/99/24/02/410992402.db2.gz WIQJNGWSTHPZNZ-VXGBXAGGSA-N 0 3 248.330 0.484 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H](CO)CCF ZINC000652019607 411003106 /nfs/dbraw/zinc/00/31/06/411003106.db2.gz WBGIWUYPNDXUTQ-BDAKNGLRSA-N 0 3 241.328 0.120 20 0 BCADHN C[C@H](Cc1ccccn1)NC(=O)CNC1CC1 ZINC000655498970 411011627 /nfs/dbraw/zinc/01/16/27/411011627.db2.gz GQYLCBNTDYXKNK-SNVBAGLBSA-N 0 3 233.315 0.881 20 0 BCADHN CN(CCOCC(F)F)C[C@H]1COCCO1 ZINC000661612472 411058109 /nfs/dbraw/zinc/05/81/09/411058109.db2.gz RUSIKTUFXGRBKC-VIFPVBQESA-N 0 3 239.262 0.615 20 0 BCADHN C[C@@H]1CN(CCn2cncn2)C[C@@H](C)C1O ZINC000661620231 411071241 /nfs/dbraw/zinc/07/12/41/411071241.db2.gz ICCHLQYAXDGKIA-NXEZZACHSA-N 0 3 224.308 0.227 20 0 BCADHN CC[C@@H]1CN(Cc2ccc(N)nc2)C[C@@H]1O ZINC000399912027 411071971 /nfs/dbraw/zinc/07/19/71/411071971.db2.gz ITTXALADSMXIDQ-MNOVXSKESA-N 0 3 221.304 0.697 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@@H]1CCC(=O)N1 ZINC000399144073 411019235 /nfs/dbraw/zinc/01/92/35/411019235.db2.gz BCTUUTOOYCUUQA-KXUCPTDWSA-N 0 3 212.293 0.110 20 0 BCADHN C[C@@H](CNC(=O)[C@H](N)C1CCC1)C[C@H](C)O ZINC000399225628 411026712 /nfs/dbraw/zinc/02/67/12/411026712.db2.gz MSGZYRBGORVUBL-WCABBAIRSA-N 0 3 228.336 0.637 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1CCn1cncn1 ZINC000399318413 411034222 /nfs/dbraw/zinc/03/42/22/411034222.db2.gz GYRJVTJBQZFIFM-NXEZZACHSA-N 0 3 210.281 0.123 20 0 BCADHN C[C@H](CO)NCc1cnnn1-c1ccccc1 ZINC000651685961 411136382 /nfs/dbraw/zinc/13/63/82/411136382.db2.gz KXAPQUBEAGCRKK-SNVBAGLBSA-N 0 3 232.287 0.738 20 0 BCADHN CN(C)CCN1CCN(CC2(C)CC2)CC1=O ZINC000651891162 411149055 /nfs/dbraw/zinc/14/90/55/411149055.db2.gz KCUWFTFBYNFTBU-UHFFFAOYSA-N 0 3 239.363 0.492 20 0 BCADHN CO[C@@H](C)CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000661687432 411150483 /nfs/dbraw/zinc/15/04/83/411150483.db2.gz WBPMMRDPIJBZNE-GARJFASQSA-N 0 3 241.335 0.367 20 0 BCADHN COC[C@@H](O)CN[C@H]1CCCn2nccc21 ZINC000657884762 411152376 /nfs/dbraw/zinc/15/23/76/411152376.db2.gz ACVFZJWBINGWGA-UWVGGRQHSA-N 0 3 225.292 0.315 20 0 BCADHN CN1CC(=O)N(CCN2CCC(C)(C)C2)C1=O ZINC000659976052 411152557 /nfs/dbraw/zinc/15/25/57/411152557.db2.gz PPYZVGPUWLYWAR-UHFFFAOYSA-N 0 3 239.319 0.612 20 0 BCADHN COC[C@H](C)NCc1cnc(N(C)C)n1C ZINC000069717972 411153233 /nfs/dbraw/zinc/15/32/33/411153233.db2.gz PMBUJLYGYPKZBC-VIFPVBQESA-N 0 3 226.324 0.611 20 0 BCADHN CC[C@@H](COC)NC(=O)[C@H](N)CC(C)C ZINC000070626214 411153837 /nfs/dbraw/zinc/15/38/37/411153837.db2.gz UGMBOSAERNQUJU-VHSXEESVSA-N 0 3 216.325 0.901 20 0 BCADHN Cc1cnn(C)c1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651939204 411153977 /nfs/dbraw/zinc/15/39/77/411153977.db2.gz XTPCLXNCUNMWLL-DTORHVGOSA-N 0 3 222.292 0.082 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2cnc3cnccn23)C1 ZINC000651939344 411154097 /nfs/dbraw/zinc/15/40/97/411154097.db2.gz BSQWZLGSXNOGMG-DTORHVGOSA-N 0 3 245.286 0.083 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2cccc(O)c2)C1 ZINC000651941116 411154323 /nfs/dbraw/zinc/15/43/23/411154323.db2.gz LYVSBUIDHTYLSI-AOOOYVTPSA-N 0 3 220.272 0.746 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2cncs2)C1 ZINC000651939617 411154815 /nfs/dbraw/zinc/15/48/15/411154815.db2.gz KVBDIZNZPBQMQN-KNVOCYPGSA-N 0 3 211.290 0.497 20 0 BCADHN C[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1ccccn1 ZINC000651939422 411155440 /nfs/dbraw/zinc/15/54/40/411155440.db2.gz 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XJNQQTDKVQXBQN-BQBZGAKWSA-N 0 3 239.241 0.927 20 0 BCADHN CC1(CNC(=O)N[C@@H](CN)C(F)(F)F)CC1 ZINC000655922159 411158186 /nfs/dbraw/zinc/15/81/86/411158186.db2.gz QMNOKHOVYWPLFQ-LURJTMIESA-N 0 3 239.241 0.975 20 0 BCADHN CNC(=O)CCCN1CCN(C)C(C)(C)C1 ZINC000653660767 411158491 /nfs/dbraw/zinc/15/84/91/411158491.db2.gz PZQXOIGQSUNQEV-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN NC[C@H](NC(=O)NCCF)C(F)(F)F ZINC000655926355 411158807 /nfs/dbraw/zinc/15/88/07/411158807.db2.gz DDFQPQWJHZSDAL-BYPYZUCNSA-N 0 3 217.166 0.145 20 0 BCADHN NC[C@@H](NC(=O)N[C@@H]1CC12CC2)C(F)(F)F ZINC000655931180 411159489 /nfs/dbraw/zinc/15/94/89/411159489.db2.gz HFWYRBPSXFMLSP-PHDIDXHHSA-N 0 3 237.225 0.728 20 0 BCADHN C[C@@H]1CC[C@@H]1NC(=O)N[C@H](CN)C(F)(F)F ZINC000655930503 411159713 /nfs/dbraw/zinc/15/97/13/411159713.db2.gz QMLKNKNODCSECD-DSYKOEDSSA-N 0 3 239.241 0.974 20 0 BCADHN C[C@H](F)CCNC(=O)N[C@@H](CN)C(F)(F)F ZINC000655925442 411159731 /nfs/dbraw/zinc/15/97/31/411159731.db2.gz BCQQSCAPAAUXPI-WDSKDSINSA-N 0 3 245.220 0.923 20 0 BCADHN Cc1n[nH]cc1CNCC[C@@]1(O)CCCOC1 ZINC000652039491 411091120 /nfs/dbraw/zinc/09/11/20/411091120.db2.gz HFDBEWUDYQQIEB-LBPRGKRZSA-N 0 3 239.319 0.739 20 0 BCADHN Cn1cc(CNCC[C@@]2(O)CCCOC2)cn1 ZINC000652039426 411091151 /nfs/dbraw/zinc/09/11/51/411091151.db2.gz FRXGCPLWZVFEEE-LBPRGKRZSA-N 0 3 239.319 0.441 20 0 BCADHN CC[C@@H](C(N)=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661630079 411106956 /nfs/dbraw/zinc/10/69/56/411106956.db2.gz KAALUFPCMNLWQQ-QCLAVDOMSA-N 0 3 214.309 0.199 20 0 BCADHN C[C@H]1CCCN(C(=O)CN2CCNCC2)CC1 ZINC000110814570 411119549 /nfs/dbraw/zinc/11/95/49/411119549.db2.gz VVEZOOUVYUVEFQ-LBPRGKRZSA-N 0 3 239.363 0.540 20 0 BCADHN C[C@H]1CC[C@H](C)N1CCN1C(=O)CN(C)C1=O ZINC000660000172 411164807 /nfs/dbraw/zinc/16/48/07/411164807.db2.gz PHEKBGJVMOPIIB-UWVGGRQHSA-N 0 3 239.319 0.753 20 0 BCADHN COC[C@H](O)CCN[C@@H]1CCCn2nccc21 ZINC000657936759 411173439 /nfs/dbraw/zinc/17/34/39/411173439.db2.gz RDUIUFWSEZBJPT-GHMZBOCLSA-N 0 3 239.319 0.705 20 0 BCADHN CN(C)c1ccncc1CNC[C@H](O)C(F)F ZINC000353137274 411174806 /nfs/dbraw/zinc/17/48/06/411174806.db2.gz BLFGOJAWVRKQTK-JTQLQIEISA-N 0 3 245.273 0.863 20 0 BCADHN CN(C)CCc1cn(-c2cccnc2)nn1 ZINC000656436234 411248156 /nfs/dbraw/zinc/24/81/56/411248156.db2.gz JZVHIUWJBYGNOT-UHFFFAOYSA-N 0 3 217.276 0.766 20 0 BCADHN CCN(CCO)CCc1nnn(C(C)(C)C)n1 ZINC000659879692 411177903 /nfs/dbraw/zinc/17/79/03/411177903.db2.gz XLIHMSQYKBLCPA-UHFFFAOYSA-N 0 3 241.339 0.285 20 0 BCADHN CO[C@H](CN(CCO)CCO)C1CCC1 ZINC000659879928 411178105 /nfs/dbraw/zinc/17/81/05/411178105.db2.gz ZFRIGDQKUXBBJR-LLVKDONJSA-N 0 3 217.309 0.088 20 0 BCADHN COc1c(C)ncnc1NCCN(C)C ZINC000656103809 411179017 /nfs/dbraw/zinc/17/90/17/411179017.db2.gz JXWHJWFJEJHNSZ-UHFFFAOYSA-N 0 3 210.281 0.767 20 0 BCADHN CNCC(=O)N1CCC[C@H](OC(C)C)C1 ZINC000404562316 411183785 /nfs/dbraw/zinc/18/37/85/411183785.db2.gz USWUWLMJRJVHCK-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN O=C1NCC[C@@H]1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656130309 411184292 /nfs/dbraw/zinc/18/42/92/411184292.db2.gz SQIOVGAUDFRGPJ-SRVKXCTJSA-N 0 3 237.347 0.481 20 0 BCADHN CC[C@@H](C)OCC(=O)N[C@@H](CN)C(F)(F)F ZINC000655515686 411186277 /nfs/dbraw/zinc/18/62/77/411186277.db2.gz OYYLZRUTMINMIP-RQJHMYQMSA-N 0 3 242.241 0.807 20 0 BCADHN CN(C[C@@H](O)CN1CC2(CC2(F)F)C1)C1CC1 ZINC000656153875 411188842 /nfs/dbraw/zinc/18/88/42/411188842.db2.gz DMWWJZQBEQLDLG-SNVBAGLBSA-N 0 3 246.301 0.783 20 0 BCADHN COCC1(CNC[C@H](C)S(C)(=O)=O)CC1 ZINC000656155263 411189930 /nfs/dbraw/zinc/18/99/30/411189930.db2.gz ONXABDCTKOCRJZ-VIFPVBQESA-N 0 3 235.349 0.436 20 0 BCADHN C[C@@H](N[C@H](CO)CCF)c1cn[nH]c1 ZINC000652302396 411192793 /nfs/dbraw/zinc/19/27/93/411192793.db2.gz XHEDWMBAXDRXNT-APPZFPTMSA-N 0 3 201.245 0.781 20 0 BCADHN C[C@H](N[C@@H](CO)CCF)c1cnn(C)c1 ZINC000652306529 411196146 /nfs/dbraw/zinc/19/61/46/411196146.db2.gz XJLGYOBOKGUPPC-WCBMZHEXSA-N 0 3 215.272 0.791 20 0 BCADHN NC(=O)[C@]1(NC[C@H]2CCC(F)(F)C2)CCOC1 ZINC000653847420 411198619 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/nfs/dbraw/zinc/21/95/07/411219507.db2.gz GFZLJSPLOCTLEL-MWLCHTKSSA-N 0 3 215.293 0.247 20 0 BCADHN C[C@H](N[C@H]1CCNC1=O)c1cccc(CO)c1 ZINC000658052460 411220156 /nfs/dbraw/zinc/22/01/56/411220156.db2.gz LCAOFBNPHXXWEO-CABZTGNLSA-N 0 3 234.299 0.718 20 0 BCADHN CO[C@@](C)(CO)CNCc1ccc(O)cc1 ZINC000656267960 411222818 /nfs/dbraw/zinc/22/28/18/411222818.db2.gz PBUWAWHUXPLQBI-GFCCVEGCSA-N 0 3 225.288 0.879 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1ccn(C)c(=O)c1 ZINC000049095971 411225395 /nfs/dbraw/zinc/22/53/95/411225395.db2.gz JVLDGTQDSSDUPL-LLVKDONJSA-N 0 3 249.314 0.209 20 0 BCADHN C[C@H]1CCC[C@@H]1NC(=O)CN1CCNCC1 ZINC000070834413 411227341 /nfs/dbraw/zinc/22/73/41/411227341.db2.gz NHODRZLHIUTQFY-QWRGUYRKSA-N 0 3 225.336 0.196 20 0 BCADHN CCC[C@@H](CNCC(=O)NC(C)C)OC ZINC000393503316 411233292 /nfs/dbraw/zinc/23/32/92/411233292.db2.gz UIGWOUOURKIZFC-JTQLQIEISA-N 0 3 216.325 0.916 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H](CO)C1CCC1 ZINC000658087201 411237152 /nfs/dbraw/zinc/23/71/52/411237152.db2.gz JLFYPXOWTDUPND-GXSJLCMTSA-N 0 3 249.376 0.560 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H](CO)C1CCC1 ZINC000658087205 411237754 /nfs/dbraw/zinc/23/77/54/411237754.db2.gz JLFYPXOWTDUPND-ONGXEEELSA-N 0 3 249.376 0.560 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)NCCN1CCCC1 ZINC000352332214 411247918 /nfs/dbraw/zinc/24/79/18/411247918.db2.gz YQVSIPNOPAWPNS-GFCCVEGCSA-N 0 3 228.336 0.605 20 0 BCADHN O=S1(=O)CCC[C@@H](N[C@@H](CO)C2CCC2)C1 ZINC000658088229 411239373 /nfs/dbraw/zinc/23/93/73/411239373.db2.gz PWRZXCKOMMTVQR-MNOVXSKESA-N 0 3 247.360 0.314 20 0 BCADHN CC(=O)NCCCN[C@@H]1CCCn2ccnc21 ZINC000655694832 411239865 /nfs/dbraw/zinc/23/98/65/411239865.db2.gz HCNABBQBMZFFDL-LLVKDONJSA-N 0 3 236.319 0.834 20 0 BCADHN NC(=O)N[C@H]1CCN(Cc2cccc(N)c2)C1 ZINC000660148903 411263943 /nfs/dbraw/zinc/26/39/43/411263943.db2.gz DVQWSSFCTDCYEL-NSHDSACASA-N 0 3 234.303 0.511 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1ccc(N)nc1 ZINC000050699702 411264287 /nfs/dbraw/zinc/26/42/87/411264287.db2.gz PKGOOIBPIZWNHH-LLVKDONJSA-N 0 3 248.330 0.878 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H](C)C1(CO)CC1 ZINC000658153892 411268430 /nfs/dbraw/zinc/26/84/30/411268430.db2.gz JKWSQQRTZMUBII-BDAKNGLRSA-N 0 3 235.349 0.170 20 0 BCADHN CC(C)[C@@H](N)c1cn(-c2ccnc(CO)c2)nn1 ZINC000656458874 411269537 /nfs/dbraw/zinc/26/95/37/411269537.db2.gz JRXZCSWXFNKHGG-GFCCVEGCSA-N 0 3 247.302 0.810 20 0 BCADHN COCc1n[nH]c(CN[C@H]2CCOC2(C)C)n1 ZINC000658158310 411271011 /nfs/dbraw/zinc/27/10/11/411271011.db2.gz XWUJEAMFTOVIFF-QMMMGPOBSA-N 0 3 240.307 0.608 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N(C)Cc1ncc[nH]1 ZINC000070645712 411271744 /nfs/dbraw/zinc/27/17/44/411271744.db2.gz FQEXMYLJGXKDRJ-SECBINFHSA-N 0 3 224.308 0.742 20 0 BCADHN C[C@@H](COCC1CC1)NC(=O)C(C)(C)N ZINC000652560285 411272044 /nfs/dbraw/zinc/27/20/44/411272044.db2.gz GSUQFLRISXVKSW-QMMMGPOBSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@@H]1CN(CCc2cn[nH]n2)[C@H](C)CN1C ZINC000660163904 411273189 /nfs/dbraw/zinc/27/31/89/411273189.db2.gz BLYAIMLMKLLSCU-NXEZZACHSA-N 0 3 223.324 0.372 20 0 BCADHN CCO[C@H]1C[C@H](N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000658163648 411276069 /nfs/dbraw/zinc/27/60/69/411276069.db2.gz RFVDUQRCTZIQFY-GMTAPVOTSA-N 0 3 247.360 0.721 20 0 BCADHN CO[C@@H]1COC[C@H]1n1cc(C(C)(C)N)nn1 ZINC000656466216 411277969 /nfs/dbraw/zinc/27/79/69/411277969.db2.gz AGQXLNPFXFMAHU-HTQZYQBOSA-N 0 3 226.280 0.058 20 0 BCADHN C[C@]1(C(=O)N2CCCNCC2)C[C@@H]1F ZINC000307145819 411277964 /nfs/dbraw/zinc/27/79/64/411277964.db2.gz MSSUUXUMPGIPSW-WPRPVWTQSA-N 0 3 200.257 0.556 20 0 BCADHN Cc1cc(-n2cc([C@@H](N)C(C)C)nn2)n(C)n1 ZINC000656465718 411278339 /nfs/dbraw/zinc/27/83/39/411278339.db2.gz HPPXUJMSMJPNCN-NSHDSACASA-N 0 3 234.307 0.965 20 0 BCADHN C[C@H](Cn1cc(CN)nn1)c1ccccn1 ZINC000656467809 411279043 /nfs/dbraw/zinc/27/90/43/411279043.db2.gz SRNCHIABLHQFBG-SECBINFHSA-N 0 3 217.276 0.936 20 0 BCADHN CC(C)CCN(C)C(=O)C(C)S(C)(=O)=O ZINC000049673278 411279166 /nfs/dbraw/zinc/27/91/66/411279166.db2.gz DPEKMAQUXUDSIN-SECBINFHSA-N 0 3 235.349 0.924 20 0 BCADHN CN(CCN1CCCCC1)c1ncnn1C ZINC000653464647 411281826 /nfs/dbraw/zinc/28/18/26/411281826.db2.gz FUCMWDRWSFNILU-UHFFFAOYSA-N 0 3 223.324 0.737 20 0 BCADHN CCn1cc(CN[C@H]2CN(C3CC3)C[C@@H]2C)nn1 ZINC000658176167 411282713 /nfs/dbraw/zinc/28/27/13/411282713.db2.gz MHKBKQOZVAQIDG-GWCFXTLKSA-N 0 3 249.362 0.870 20 0 BCADHN CCn1cc(CN[C@H]2CN(C3CC3)C[C@H]2C)nn1 ZINC000658176169 411282758 /nfs/dbraw/zinc/28/27/58/411282758.db2.gz MHKBKQOZVAQIDG-MFKMUULPSA-N 0 3 249.362 0.870 20 0 BCADHN CN1CCC[C@@H](NCc2cn3cccnc3n2)C1 ZINC000656487329 411283717 /nfs/dbraw/zinc/28/37/17/411283717.db2.gz ZOSSCXCKUOYVMJ-LLVKDONJSA-N 0 3 245.330 0.913 20 0 BCADHN CC[C@@H](O)CN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000658189842 411285919 /nfs/dbraw/zinc/28/59/19/411285919.db2.gz WDXZHIFGQRKIQH-VWYCJHECSA-N 0 3 249.376 0.703 20 0 BCADHN C[C@@H]1C[C@@H](N=c2nc[nH]n2C)CN1C1CC1 ZINC000653468744 411289332 /nfs/dbraw/zinc/28/93/32/411289332.db2.gz DTQOKEINNIKVEJ-RKDXNWHRSA-N 0 3 221.308 0.274 20 0 BCADHN CCN1C[C@H](C)N(c2ncnn2C)C[C@H]1C ZINC000653471041 411292799 /nfs/dbraw/zinc/29/27/99/411292799.db2.gz XHKMTSHFFQAMHY-ZJUUUORDSA-N 0 3 223.324 0.734 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000155134141 411293808 /nfs/dbraw/zinc/29/38/08/411293808.db2.gz CDSHBRLUOJNWAR-NZFNHWASSA-N 0 3 226.301 0.710 20 0 BCADHN Cc1ncncc1[C@@H](C)NCCc1nnnn1C ZINC000655723375 411296356 /nfs/dbraw/zinc/29/63/56/411296356.db2.gz KFCSZXKVCWFXAW-MRVPVSSYSA-N 0 3 247.306 0.202 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCC(CO)(CO)C2)O1 ZINC000661950694 411329895 /nfs/dbraw/zinc/32/98/95/411329895.db2.gz MWPLFWRXNUTKAO-GHMZBOCLSA-N 0 3 229.320 0.231 20 0 BCADHN CN(CCN1CCCC1)Cc1ncc[nH]1 ZINC000162507391 411298718 /nfs/dbraw/zinc/29/87/18/411298718.db2.gz FKWRCEAWTAIZSW-UHFFFAOYSA-N 0 3 208.309 0.937 20 0 BCADHN CN(Cc1cn(C)nn1)C[C@@H]1CCCN1C ZINC000661744129 411302275 /nfs/dbraw/zinc/30/22/75/411302275.db2.gz PSXLGYLQQPCIRH-NSHDSACASA-N 0 3 223.324 0.341 20 0 BCADHN CNS(=O)(=O)CCNC1CC2(CCC2)C1 ZINC000656565680 411302377 /nfs/dbraw/zinc/30/23/77/411302377.db2.gz JVVXJAATPSBALN-UHFFFAOYSA-N 0 3 232.349 0.458 20 0 BCADHN CC1(C)CNCCN1C(=O)[C@H]1CCCO1 ZINC000062570569 411305511 /nfs/dbraw/zinc/30/55/11/411305511.db2.gz VUEFKBFQNOTQPD-SECBINFHSA-N 0 3 212.293 0.376 20 0 BCADHN CCN(C(=O)[C@@H](N)C(C)C)[C@@H]1CCCOC1 ZINC000402664991 411307441 /nfs/dbraw/zinc/30/74/41/411307441.db2.gz ACRXMMUQAYBKBF-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN CCN(C(=O)CNC)[C@H]1CCCOC1 ZINC000402689370 411308306 /nfs/dbraw/zinc/30/83/06/411308306.db2.gz AXGFNOJHUGGIMC-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1CC(=O)N1CCCC1 ZINC000661768966 411309237 /nfs/dbraw/zinc/30/92/37/411309237.db2.gz ZYFBEBVDNRYVNK-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1CCN1CCCC1=O ZINC000661770348 411309353 /nfs/dbraw/zinc/30/93/53/411309353.db2.gz BTVBWXFQTODPDL-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN O=c1cc2c(nn1C[C@H]1CNCCO1)CCCC2 ZINC000656611469 411309685 /nfs/dbraw/zinc/30/96/85/411309685.db2.gz IWJIPUNYNWLBBK-LLVKDONJSA-N 0 3 249.314 0.111 20 0 BCADHN CC(C)=CCCN1CCN(CCO)CC1 ZINC000659827761 411310822 /nfs/dbraw/zinc/31/08/22/411310822.db2.gz BMLKOGXDPSXREE-UHFFFAOYSA-N 0 3 212.337 0.953 20 0 BCADHN COC[C@@H](CN1CCC[C@@H](O)C1)OC ZINC000659828872 411311217 /nfs/dbraw/zinc/31/12/17/411311217.db2.gz JDQATVVTOGNNPY-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN CCN1CC[C@H](N2CCC[C@@H](CO)C2)C1=O ZINC000659828483 411311274 /nfs/dbraw/zinc/31/12/74/411311274.db2.gz GZLOJRDYEJIQTG-MNOVXSKESA-N 0 3 226.320 0.312 20 0 BCADHN O=C1CC[C@@H](CN[C@H]2CCCn3nccc32)N1 ZINC000658257425 411317297 /nfs/dbraw/zinc/31/72/97/411317297.db2.gz NDBWWQMGHPBHQO-UWVGGRQHSA-N 0 3 234.303 0.586 20 0 BCADHN CCN1CCN(C[C@]2(O)CCCOC2)C[C@H]1C ZINC000656696640 411333436 /nfs/dbraw/zinc/33/34/36/411333436.db2.gz ISNUQJACVILAGE-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN Cc1cncc(CCN2CC[C@@H](CO)C2)n1 ZINC000402906417 411321015 /nfs/dbraw/zinc/32/10/15/411321015.db2.gz KIJMZRAQOAMWGT-LLVKDONJSA-N 0 3 221.304 0.642 20 0 BCADHN Cc1cncc(CCN2C[C@H](O)C[C@H]2C)n1 ZINC000402918670 411321219 /nfs/dbraw/zinc/32/12/19/411321219.db2.gz PYROFOYTGAXHJD-ZYHUDNBSSA-N 0 3 221.304 0.783 20 0 BCADHN CCN1CC[C@H](NC2CCN(OC)CC2)C1=O ZINC000656675311 411321833 /nfs/dbraw/zinc/32/18/33/411321833.db2.gz CEJAOIBOJXIXMO-NSHDSACASA-N 0 3 241.335 0.223 20 0 BCADHN COCCN(CCO)CCc1cncc(C)n1 ZINC000402932615 411322481 /nfs/dbraw/zinc/32/24/81/411322481.db2.gz TVQXPULUTKGXEQ-UHFFFAOYSA-N 0 3 239.319 0.268 20 0 BCADHN C[C@H](O)CCCN(C)CC(C)(CO)CO ZINC000336711798 411332682 /nfs/dbraw/zinc/33/26/82/411332682.db2.gz URKFLAHNRSZNIN-JTQLQIEISA-N 0 3 219.325 0.070 20 0 BCADHN CC1(CO)CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000401762929 411323950 /nfs/dbraw/zinc/32/39/50/411323950.db2.gz WNNLWZDTAVUARK-JTQLQIEISA-N 0 3 226.320 0.359 20 0 BCADHN CC[C@@H](O)CNCc1ccnc(OC)c1 ZINC000062070148 411325919 /nfs/dbraw/zinc/32/59/19/411325919.db2.gz QCZBVLBPHPWZRA-SNVBAGLBSA-N 0 3 210.277 0.951 20 0 BCADHN CCOC[C@H](C)NCC1(S(=O)(=O)CC)CC1 ZINC000658298409 411326419 /nfs/dbraw/zinc/32/64/19/411326419.db2.gz GDSULJUKXGXFDH-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN CCN(CC)C(=O)C[C@@H](C)NC/C=C\CO ZINC000658132432 411256633 /nfs/dbraw/zinc/25/66/33/411256633.db2.gz LPTGPARTKFHBNR-JMEBYUIHSA-N 0 3 228.336 0.772 20 0 BCADHN CN(C)CCc1cn(Cc2ccccn2)nn1 ZINC000656439593 411257302 /nfs/dbraw/zinc/25/73/02/411257302.db2.gz XHGMZVWDGCEHDO-UHFFFAOYSA-N 0 3 231.303 0.826 20 0 BCADHN CC(C)(N)c1cn(-c2ccncc2)nn1 ZINC000656440115 411257494 /nfs/dbraw/zinc/25/74/94/411257494.db2.gz AMVPKXSLHIZIOJ-UHFFFAOYSA-N 0 3 203.249 0.856 20 0 BCADHN CC(C)N(C)CC(=O)NCc1cnn(C)c1 ZINC000049400449 411258508 /nfs/dbraw/zinc/25/85/08/411258508.db2.gz LXVSRTCWTCYVKJ-UHFFFAOYSA-N 0 3 224.308 0.377 20 0 BCADHN N[C@@H](c1cn(-c2ccncc2)nn1)[C@@H]1CCCO1 ZINC000656440778 411258822 /nfs/dbraw/zinc/25/88/22/411258822.db2.gz NJRMFKHZVRSSKI-RYUDHWBXSA-N 0 3 245.286 0.841 20 0 BCADHN CCC[C@@H](CC)NC(=O)CN1CCNCC1 ZINC000050405331 411260972 /nfs/dbraw/zinc/26/09/72/411260972.db2.gz SNMNOEXBRXUDAP-LLVKDONJSA-N 0 3 227.352 0.587 20 0 BCADHN CC[C@@H](N)c1cn(CCNC(=O)C(C)C)nn1 ZINC000656442274 411260978 /nfs/dbraw/zinc/26/09/78/411260978.db2.gz IEIDLKYIPFPEGS-SECBINFHSA-N 0 3 239.323 0.460 20 0 BCADHN CS(=O)(=O)[C@H]1CCCC[C@H]1N[C@H]1C[C@H](O)C1 ZINC000658348564 411350259 /nfs/dbraw/zinc/35/02/59/411350259.db2.gz CBUUHSDAMBJCPZ-DBIOUOCHSA-N 0 3 247.360 0.455 20 0 BCADHN CN1CCC[C@H](N2CC[C@@H]3COC[C@@H]3C2)C1=O ZINC000662039065 411352320 /nfs/dbraw/zinc/35/23/20/411352320.db2.gz XLIVGVDYYYMBGW-WOPDTQHZSA-N 0 3 238.331 0.576 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCC(=O)Nc1cnccn1 ZINC000660269794 411354947 /nfs/dbraw/zinc/35/49/47/411354947.db2.gz ORJRUADVAUGUFX-DTWKUNHWSA-N 0 3 238.291 0.022 20 0 BCADHN O=S(=O)(c1ccncc1)N1CCCNCC1 ZINC000658362981 411355749 /nfs/dbraw/zinc/35/57/49/411355749.db2.gz KEJNUBXTVBNKRR-UHFFFAOYSA-N 0 3 241.316 0.066 20 0 BCADHN CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000653481394 411357544 /nfs/dbraw/zinc/35/75/44/411357544.db2.gz HCCRJKMFJMZIKW-ZJUUUORDSA-N 0 3 211.309 0.932 20 0 BCADHN N[C@@H]1CN(S(=O)(=O)c2ccoc2)CC[C@H]1F ZINC000658408151 411357568 /nfs/dbraw/zinc/35/75/68/411357568.db2.gz MGYVXLACVNRIRM-RKDXNWHRSA-N 0 3 248.279 0.339 20 0 BCADHN N[C@H](CC(=O)N[C@H]1CCNC1=O)c1ccccc1 ZINC000659328632 411357692 /nfs/dbraw/zinc/35/76/92/411357692.db2.gz IMESSPCSSHPIBP-MNOVXSKESA-N 0 3 247.298 0.081 20 0 BCADHN CC[C@@H]1CN(C[C@H](O)COC)[C@H](CC)CO1 ZINC000403753449 411358559 /nfs/dbraw/zinc/35/85/59/411358559.db2.gz MQVXLLXDPPBHDA-GRYCIOLGSA-N 0 3 231.336 0.883 20 0 BCADHN COCCN(CCO)C[C@H](OC)C1CCC1 ZINC000659875206 411359091 /nfs/dbraw/zinc/35/90/91/411359091.db2.gz WQLRBSONBPNNNF-LBPRGKRZSA-N 0 3 231.336 0.742 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@H](CC)OC[C@H]1C ZINC000403758368 411359235 /nfs/dbraw/zinc/35/92/35/411359235.db2.gz NUVIULMKYOOGRW-UTLUCORTSA-N 0 3 214.309 0.750 20 0 BCADHN CC[C@H]1CN(C(=O)C2(N)CC2)[C@@H](C)CO1 ZINC000403771145 411359419 /nfs/dbraw/zinc/35/94/19/411359419.db2.gz RINFOJGLBKHXDR-IUCAKERBSA-N 0 3 212.293 0.504 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@H](CC)OC[C@@H]1C ZINC000403758363 411359593 /nfs/dbraw/zinc/35/95/93/411359593.db2.gz NUVIULMKYOOGRW-GUBZILKMSA-N 0 3 214.309 0.750 20 0 BCADHN CO[C@H](CN1CCNC(=O)CC1)C1CCC1 ZINC000659877514 411360665 /nfs/dbraw/zinc/36/06/65/411360665.db2.gz GERGLSYURFNDKN-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCCCO ZINC000130755719 411361008 /nfs/dbraw/zinc/36/10/08/411361008.db2.gz UHROEZIPCYQQJY-VIFPVBQESA-N 0 3 202.298 0.215 20 0 BCADHN COC[C@H](CN1CCN(C)C[C@@H]1C(C)C)OC ZINC000660630943 411361910 /nfs/dbraw/zinc/36/19/10/411361910.db2.gz SDUBIUQALQRXFY-QWHCGFSZSA-N 0 3 244.379 0.920 20 0 BCADHN CC(=O)NCc1ccc(CNC(=O)[C@H](C)N)cc1 ZINC000659332847 411362316 /nfs/dbraw/zinc/36/23/16/411362316.db2.gz NNYVPUUPKLLBDC-VIFPVBQESA-N 0 3 249.314 0.286 20 0 BCADHN CC[C@H]1CN(C(=O)CNC)[C@@H](CC)CO1 ZINC000403865334 411363550 /nfs/dbraw/zinc/36/35/50/411363550.db2.gz QSKWUWPLHOIREV-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H](C)N)[C@@H](CC)CO1 ZINC000403871897 411363572 /nfs/dbraw/zinc/36/35/72/411363572.db2.gz RTXULCDQGXTTPC-UTLUCORTSA-N 0 3 214.309 0.750 20 0 BCADHN C[C@@H]1CCC[C@@H](CNC(=O)C(C)(C)N)O1 ZINC000658954769 411363609 /nfs/dbraw/zinc/36/36/09/411363609.db2.gz ZGBYIINQOAAVBQ-BDAKNGLRSA-N 0 3 214.309 0.798 20 0 BCADHN CC[C@@H]1CN(C(=O)CN)[C@@H](CC)CO1 ZINC000403899937 411365498 /nfs/dbraw/zinc/36/54/98/411365498.db2.gz ZJUTWHXXJJGJCN-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@H](C)[C@](C)(CO)C1 ZINC000662138809 411365721 /nfs/dbraw/zinc/36/57/21/411365721.db2.gz XNZDEPJZVDKKLV-GVXVVHGQSA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H](N)C(C)C)[C@@H](C)CO1 ZINC000403923711 411367289 /nfs/dbraw/zinc/36/72/89/411367289.db2.gz IWQONGKQDPRSSC-DCAQKATOSA-N 0 3 228.336 0.996 20 0 BCADHN 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0.534 20 0 BCADHN CCC(C)(C)NC(=O)[C@@]1(F)CCNC1 ZINC000306291021 168295508 /nfs/dbraw/zinc/29/55/08/168295508.db2.gz RRTCEZINGUHHOW-SNVBAGLBSA-N 0 3 202.273 0.993 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C2CC2)C1 ZINC000654881115 411459087 /nfs/dbraw/zinc/45/90/87/411459087.db2.gz YWJUBDYKIZWXCF-ZYHUDNBSSA-N 0 3 240.347 0.558 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)CN1CC[C@@H](C)C1 ZINC000654886012 411460590 /nfs/dbraw/zinc/46/05/90/411460590.db2.gz ZZFNRUYYXWULJQ-VXGBXAGGSA-N 0 3 242.363 0.851 20 0 BCADHN CO[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000659314298 411393134 /nfs/dbraw/zinc/39/31/34/411393134.db2.gz SBBZSUPUBZBXJY-XWLWVQCSSA-N 0 3 244.310 0.618 20 0 BCADHN CC1(OCC(=O)NCC2=CCCC2)CNC1 ZINC000659379770 411393527 /nfs/dbraw/zinc/39/35/27/411393527.db2.gz OKFMMVNBPOPGSC-UHFFFAOYSA-N 0 3 224.304 0.591 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCC1(CO)CC1 ZINC000131061923 411394008 /nfs/dbraw/zinc/39/40/08/411394008.db2.gz JZIWKYDWSMVTQR-IUCAKERBSA-N 0 3 214.309 0.249 20 0 BCADHN 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411397461 /nfs/dbraw/zinc/39/74/61/411397461.db2.gz QMCKCFZWRXPTOY-ONGXEEELSA-N 0 3 244.335 0.152 20 0 BCADHN O=C(CN[C@@H](CO)C1CCCC1)N1CCC1 ZINC000336686616 411399234 /nfs/dbraw/zinc/39/92/34/411399234.db2.gz SWTYYLQXVAKLTR-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000638280168 411461166 /nfs/dbraw/zinc/46/11/66/411461166.db2.gz ZFRQBJWLJBWLKO-PSASIEDQSA-N 0 3 238.335 0.763 20 0 BCADHN C[C@H](N)C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000659343744 411400459 /nfs/dbraw/zinc/40/04/59/411400459.db2.gz WHHUJXDFUCMSML-INTQDDNPSA-N 0 3 212.293 0.219 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCCO[C@@H]1CC1(F)F ZINC000659346406 411400662 /nfs/dbraw/zinc/40/06/62/411400662.db2.gz YFYYABSXZGRZKN-HTQZYQBOSA-N 0 3 248.273 0.525 20 0 BCADHN C[C@H](CNC(=O)C(C)(C)CO)N(C)C ZINC000654480320 411403480 /nfs/dbraw/zinc/40/34/80/411403480.db2.gz TZBFTQFFICPJPR-MRVPVSSYSA-N 0 3 202.298 0.071 20 0 BCADHN CC[C@](C)(CO)C(=O)NC[C@@H](C)N(C)C ZINC000654479601 411403519 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LXHSWESBCSSELA-UHFFFAOYSA-N 0 3 225.336 0.280 20 0 BCADHN CCOCCCN1CCN(c2ncc[nH]2)CC1 ZINC000653645980 411451994 /nfs/dbraw/zinc/45/19/94/411451994.db2.gz GXPUIGXAHZTOMK-UHFFFAOYSA-N 0 3 238.335 0.958 20 0 BCADHN CC1(C)C[C@H](N2CC[C@@H](CO)[C@@H](O)C2)CO1 ZINC000660394560 411453865 /nfs/dbraw/zinc/45/38/65/411453865.db2.gz BOLJVGVMKPRDLH-DCAQKATOSA-N 0 3 229.320 0.229 20 0 BCADHN CCNC(=O)CN[C@@H]1CO[C@@H](CC)C1 ZINC000657293110 411454747 /nfs/dbraw/zinc/45/47/47/411454747.db2.gz XSANLXYYBHMPHT-IUCAKERBSA-N 0 3 200.282 0.280 20 0 BCADHN CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000654952452 411467396 /nfs/dbraw/zinc/46/73/96/411467396.db2.gz LTTLKOWKMWCZBB-QCNOEVLYSA-N 0 3 238.331 0.764 20 0 BCADHN OCC1(NCc2cn[nH]c2)CCSCC1 ZINC000657492189 411532669 /nfs/dbraw/zinc/53/26/69/411532669.db2.gz TYPVDIYLPPUDOE-UHFFFAOYSA-N 0 3 227.333 0.757 20 0 BCADHN CC(C)[C@H](O)CN(C)CCc1cnccn1 ZINC000293055505 411471499 /nfs/dbraw/zinc/47/14/99/411471499.db2.gz YJRYSQCDLGREJG-GFCCVEGCSA-N 0 3 223.320 0.968 20 0 BCADHN CC[C@H]1CO[C@H](C)CN1CCc1c[nH]nn1 ZINC000659840489 411471800 /nfs/dbraw/zinc/47/18/00/411471800.db2.gz HOXAHGIUBUWMLF-KOLCDFICSA-N 0 3 224.308 0.847 20 0 BCADHN Cc1ncncc1[C@@H](C)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000655791099 411471872 /nfs/dbraw/zinc/47/18/72/411471872.db2.gz GFFDVPDYCWKDAI-BBBLOLIVSA-N 0 3 234.303 0.700 20 0 BCADHN CO[C@@H](CN(CCO)C1CC1)[C@H]1CCOC1 ZINC000659840956 411472336 /nfs/dbraw/zinc/47/23/36/411472336.db2.gz JDPMGHDLQIWOIW-JQWIXIFHSA-N 0 3 229.320 0.495 20 0 BCADHN CC(C)OCCNC(=O)CN1CC[C@@H](C)C1 ZINC000654998106 411472746 /nfs/dbraw/zinc/47/27/46/411472746.db2.gz BQFCCYOWISOBLA-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@]1(CNCc2cnc3n2CCC3)CCC(=O)N1 ZINC000657489303 411532917 /nfs/dbraw/zinc/53/29/17/411532917.db2.gz YREBWRXKHZTLRR-CYBMUJFWSA-N 0 3 248.330 0.588 20 0 BCADHN O=C(N=c1cc[nH][nH]1)[C@H]1CC[C@H](C2CC2)N1 ZINC000407247669 411476135 /nfs/dbraw/zinc/47/61/35/411476135.db2.gz FKFJXYDVZCTALU-RKDXNWHRSA-N 0 3 220.276 0.301 20 0 BCADHN CC1(CNCc2cc3n(n2)CCC3)COC1 ZINC000657358879 411476302 /nfs/dbraw/zinc/47/63/02/411476302.db2.gz NXNNGDZPRGPQDX-UHFFFAOYSA-N 0 3 221.304 0.955 20 0 BCADHN Cc1cc(=NC(=O)[C@@H]2CC[C@H](C3CC3)N2)[nH]n1C ZINC000407285149 411476668 /nfs/dbraw/zinc/47/66/68/411476668.db2.gz FXXAPPCZFIXEQK-MNOVXSKESA-N 0 3 248.330 0.620 20 0 BCADHN CC[C@@H]1C[C@H](N[C@H](C)CS(C)(=O)=O)CO1 ZINC000657360963 411477209 /nfs/dbraw/zinc/47/72/09/411477209.db2.gz WKHGFJREZDKILQ-KXUCPTDWSA-N 0 3 235.349 0.577 20 0 BCADHN CC1(CNCc2cnc3n2CCC3)COC1 ZINC000657359298 411477489 /nfs/dbraw/zinc/47/74/89/411477489.db2.gz SNVPORPAKPITKE-UHFFFAOYSA-N 0 3 221.304 0.955 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC[C@H](C)[C@@H]2CO)C1 ZINC000655019321 411477980 /nfs/dbraw/zinc/47/79/80/411477980.db2.gz FABFSVKVUCXOEP-WOPDTQHZSA-N 0 3 240.347 0.558 20 0 BCADHN Cc1cc(=NC(=O)[C@H]2CC[C@H](C3CC3)N2)[nH][nH]1 ZINC000407318930 411478703 /nfs/dbraw/zinc/47/87/03/411478703.db2.gz VEKVNDFXHDJTJK-NXEZZACHSA-N 0 3 234.303 0.609 20 0 BCADHN CC[C@@H]1C[C@@H](NC[C@H]2CN(C)CCN2C)CO1 ZINC000657357405 411479120 /nfs/dbraw/zinc/47/91/20/411479120.db2.gz NRFNKXFOQMEPNF-FRRDWIJNSA-N 0 3 241.379 0.389 20 0 BCADHN Cn1ncc2c1CCC[C@H]2N[C@H]1C[C@@H](O)C1 ZINC000295995902 411479458 /nfs/dbraw/zinc/47/94/58/411479458.db2.gz PYJOFTUOCPUITQ-WCABBAIRSA-N 0 3 221.304 0.910 20 0 BCADHN O=C1NCCC[C@H]1CNCc1cn[nH]c1 ZINC000657490565 411533207 /nfs/dbraw/zinc/53/32/07/411533207.db2.gz NUNYOCSXTJCKKP-VIFPVBQESA-N 0 3 208.265 0.026 20 0 BCADHN Cc1c[nH]c(CNC2CCC(C(N)=O)CC2)n1 ZINC000657367807 411480707 /nfs/dbraw/zinc/48/07/07/411480707.db2.gz RJHFKLQYDGOUEJ-UHFFFAOYSA-N 0 3 236.319 0.852 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H]2COC[C@@H]2OC)CO1 ZINC000657490109 411533302 /nfs/dbraw/zinc/53/33/02/411533302.db2.gz FDSYLPLCPCISJH-DBIOUOCHSA-N 0 3 215.293 0.557 20 0 BCADHN O[C@H](CNCc1cnn2c1CCC2)C1CC1 ZINC000657366183 411482340 /nfs/dbraw/zinc/48/23/40/411482340.db2.gz IUUNZQBLDIRLNJ-GFCCVEGCSA-N 0 3 221.304 0.690 20 0 BCADHN C[C@@H](CCO)NCc1cnc2n1CCC2 ZINC000657369159 411483603 /nfs/dbraw/zinc/48/36/03/411483603.db2.gz XZRAXRRWSXZAQR-VIFPVBQESA-N 0 3 209.293 0.690 20 0 BCADHN C[C@@H](CCO)NCc1cnn2c1CCC2 ZINC000657369267 411483683 /nfs/dbraw/zinc/48/36/83/411483683.db2.gz ZYLZWVGLEFRPEO-VIFPVBQESA-N 0 3 209.293 0.690 20 0 BCADHN CN1C[C@H](NCc2cnn3c2CCC3)CCC1=O ZINC000657370088 411483692 /nfs/dbraw/zinc/48/36/92/411483692.db2.gz CCNABQZZQIWSRW-LLVKDONJSA-N 0 3 248.330 0.540 20 0 BCADHN C[C@H](CO)[C@H](C)NCc1cnn2c1CCC2 ZINC000657371786 411484313 /nfs/dbraw/zinc/48/43/13/411484313.db2.gz MYONXPXHSAIDOQ-ZJUUUORDSA-N 0 3 223.320 0.936 20 0 BCADHN C[C@@H](CO)NCc1ccnn1-c1ccncc1 ZINC000657378204 411487044 /nfs/dbraw/zinc/48/70/44/411487044.db2.gz IEIMOMHHJZSSQB-JTQLQIEISA-N 0 3 232.287 0.738 20 0 BCADHN COCc1csc(CNC(CO)CO)c1 ZINC000657377855 411487323 /nfs/dbraw/zinc/48/73/23/411487323.db2.gz WXLZSMRKTLMMJZ-UHFFFAOYSA-N 0 3 231.317 0.337 20 0 BCADHN OCC1(CNCc2cnc3n2CCC3)CC1 ZINC000657382423 411487847 /nfs/dbraw/zinc/48/78/47/411487847.db2.gz 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VCAWKOIQLMAJHO-ZJUUUORDSA-N 0 3 231.340 0.661 20 0 BCADHN CCS(=O)(=O)C1(CN[C@H]2CCOC2)CC1 ZINC000657759348 411590605 /nfs/dbraw/zinc/59/06/05/411590605.db2.gz PAOTWYFFPWDRCA-VIFPVBQESA-N 0 3 233.333 0.332 20 0 BCADHN CCS(=O)(=O)C1(CNCC2(C)COC2)CC1 ZINC000657759344 411590621 /nfs/dbraw/zinc/59/06/21/411590621.db2.gz OYBPCEJEHBSVOU-UHFFFAOYSA-N 0 3 247.360 0.580 20 0 BCADHN CCS(=O)(=O)C1(CN[C@H]2CCO[C@@H]2C)CC1 ZINC000657759156 411590921 /nfs/dbraw/zinc/59/09/21/411590921.db2.gz OFDRCDJAKTZZGH-ZJUUUORDSA-N 0 3 247.360 0.721 20 0 BCADHN CO[C@H](CN(C)CCOCCO)C1CCC1 ZINC000660484586 411592476 /nfs/dbraw/zinc/59/24/76/411592476.db2.gz GBXWSQJCUKTOOI-GFCCVEGCSA-N 0 3 231.336 0.742 20 0 BCADHN CCN1CC[C@H](N(CCO)CC2CC2)C1=O ZINC000660535487 411596852 /nfs/dbraw/zinc/59/68/52/411596852.db2.gz LKEXNYAFXJZVKP-NSHDSACASA-N 0 3 226.320 0.312 20 0 BCADHN CN(CCO[C@H]1CC1(F)F)CCC(N)=O ZINC000660546099 411597833 /nfs/dbraw/zinc/59/78/33/411597833.db2.gz GJTFMDFNZNVVEE-ZETCQYMHSA-N 0 3 222.235 0.218 20 0 BCADHN CCn1nnc(C)c1CN[C@H]1C[C@H](O)C1 ZINC000657808046 411601025 /nfs/dbraw/zinc/60/10/25/411601025.db2.gz AEULFVVLFFLWOR-KYZUINATSA-N 0 3 210.281 0.219 20 0 BCADHN C[C@H](O)CN(CCO)Cc1ccc2c[nH]nc2c1 ZINC000660564020 411601105 /nfs/dbraw/zinc/60/11/05/411601105.db2.gz RIGUFPFEPVADCD-JTQLQIEISA-N 0 3 249.314 0.738 20 0 BCADHN COC[C@@H](C)N1CCC(c2nc(N)n[nH]2)CC1 ZINC000660568740 411601487 /nfs/dbraw/zinc/60/14/87/411601487.db2.gz XMOOIMAXNFPDEC-MRVPVSSYSA-N 0 3 239.323 0.601 20 0 BCADHN NC(=O)c1ccc(CN[C@H]2C[C@H](O)C2)cc1 ZINC000657810257 411602180 /nfs/dbraw/zinc/60/21/80/411602180.db2.gz XWVOXZBBVYXQQA-XYPYZODXSA-N 0 3 220.272 0.398 20 0 BCADHN COC[C@H](CN1CC[C@@H](n2cccn2)C1)OC ZINC000660596722 411605273 /nfs/dbraw/zinc/60/52/73/411605273.db2.gz MTFVUZNQZHVYQU-NEPJUHHUSA-N 0 3 239.319 0.791 20 0 BCADHN CC(C)NC(=O)CN[C@H]1COC2(CCC2)C1 ZINC000657824534 411607910 /nfs/dbraw/zinc/60/79/10/411607910.db2.gz UDUMWFGSKZATBB-SNVBAGLBSA-N 0 3 226.320 0.812 20 0 BCADHN CCCN(CC(N)=O)C[C@@H](OC)C1CCC1 ZINC000660618488 411608233 /nfs/dbraw/zinc/60/82/33/411608233.db2.gz RMNIUHRGEUVAQO-LLVKDONJSA-N 0 3 228.336 0.999 20 0 BCADHN COc1cc(CN[C@H](C)Cn2cncn2)ccn1 ZINC000657831691 411608799 /nfs/dbraw/zinc/60/87/99/411608799.db2.gz FYEPKGYAKMXWIO-SNVBAGLBSA-N 0 3 247.302 0.860 20 0 BCADHN COC[C@@H](C(N)=O)N(C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660635001 411610338 /nfs/dbraw/zinc/61/03/38/411610338.db2.gz DCMYKJPUXVJPKE-VLEAKVRGSA-N 0 3 226.320 0.465 20 0 BCADHN C[C@H](Cn1cncn1)NCc1ccccc1CO ZINC000657844585 411610727 /nfs/dbraw/zinc/61/07/27/411610727.db2.gz IGELHUQXMMOPRH-LLVKDONJSA-N 0 3 246.314 0.949 20 0 BCADHN C[C@H](CO)CN[C@H]1CCCn2nccc21 ZINC000657847986 411611476 /nfs/dbraw/zinc/61/14/76/411611476.db2.gz ZDXZIBQTJHXOKP-UWVGGRQHSA-N 0 3 209.293 0.936 20 0 BCADHN CNC(=O)CCN[C@H]1CCCn2nccc21 ZINC000657850140 411612273 /nfs/dbraw/zinc/61/22/73/411612273.db2.gz PUJZYOZDDLKYEZ-VIFPVBQESA-N 0 3 222.292 0.444 20 0 BCADHN CC1(C)C[C@H](N2CCOC[C@@H](O)C2)CO1 ZINC000660668865 411615552 /nfs/dbraw/zinc/61/55/52/411615552.db2.gz LBXZSCBQPAMSFQ-UWVGGRQHSA-N 0 3 215.293 0.247 20 0 BCADHN CO[C@H](CN1CCOC[C@@H](O)C1)C1CCC1 ZINC000660668819 411616143 /nfs/dbraw/zinc/61/61/43/411616143.db2.gz KPNQJAAEQKNXFY-NWDGAFQWSA-N 0 3 229.320 0.495 20 0 BCADHN CC(C)[C@H](O)CN1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000660724201 411619253 /nfs/dbraw/zinc/61/92/53/411619253.db2.gz BFRBZGBFEOOBAD-FRRDWIJNSA-N 0 3 244.379 0.390 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@@H](COC)OC ZINC000660752950 411620508 /nfs/dbraw/zinc/62/05/08/411620508.db2.gz UROVDPVJBYVAPI-HBNTYKKESA-N 0 3 233.308 0.041 20 0 BCADHN CCN1CC[C@H](N2C[C@@H](C)C[C@H](CO)C2)C1=O ZINC000660828984 411648884 /nfs/dbraw/zinc/64/88/84/411648884.db2.gz BFSZHSMBWRJXBR-SRVKXCTJSA-N 0 3 240.347 0.558 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1cc(CC(C)C)[nH]n1 ZINC000638443894 411650369 /nfs/dbraw/zinc/65/03/69/411650369.db2.gz VHEMIHRCNXIESQ-VIFPVBQESA-N 0 3 238.335 1.545 20 0 BCADHN CCN1CC[C@@H](N(C)C[C@@H]2CCCN2C)C1=O ZINC000660834944 411650790 /nfs/dbraw/zinc/65/07/90/411650790.db2.gz BPPGEOCKEVIVMF-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN CO[C@@]1(C)C[C@H]1NC(=O)N[C@H]1CCCN(C)C1 ZINC000660835370 411651680 /nfs/dbraw/zinc/65/16/80/411651680.db2.gz FCNWFGXYRMAWJG-UMNHJUIQSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@H]1CC(=O)NCCN1CCC1(O)CCC1 ZINC000663437578 411657346 /nfs/dbraw/zinc/65/73/46/411657346.db2.gz GRWVGCMDLXYPPR-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN Cn1cnc(N[C@H]2CCN(C3CC3)C2)cc1=O ZINC000663449307 411658880 /nfs/dbraw/zinc/65/88/80/411658880.db2.gz UMENOSYSEMYXGF-VIFPVBQESA-N 0 3 234.303 0.429 20 0 BCADHN CCO[C@H]1C[C@@H](N[C@H]2CCNC2=O)C12CCC2 ZINC000663456644 411661608 /nfs/dbraw/zinc/66/16/08/411661608.db2.gz CUIMQLBVPLTJQG-AXFHLTTASA-N 0 3 238.331 0.812 20 0 BCADHN CCN1CCC(NC(=O)NC/C=C\CO)CC1 ZINC000663454416 411661626 /nfs/dbraw/zinc/66/16/26/411661626.db2.gz LZWBVWMMUGPTSJ-ARJAWSKDSA-N 0 3 241.335 0.318 20 0 BCADHN CCO[C@H]1C[C@@H](N[C@H]2CCNC2=O)C1(C)C ZINC000663458548 411662844 /nfs/dbraw/zinc/66/28/44/411662844.db2.gz YKOQCNBIMFLVSH-AEJSXWLSSA-N 0 3 226.320 0.668 20 0 BCADHN CO[C@@H](CN1CC(C)(C(N)=O)C1)C1CCC1 ZINC000660897762 411663267 /nfs/dbraw/zinc/66/32/67/411663267.db2.gz FIZYHNADDQRZOX-JTQLQIEISA-N 0 3 226.320 0.609 20 0 BCADHN CC1(C(N)=O)CN([C@@H]2COC(C)(C)C2)C1 ZINC000660897572 411664008 /nfs/dbraw/zinc/66/40/08/411664008.db2.gz BJNJNGKBLOXAHA-QMMMGPOBSA-N 0 3 212.293 0.361 20 0 BCADHN CO[C@H](CN[C@@H]1COC[C@H]1OC)[C@@H]1CCOC1 ZINC000660902114 411664839 /nfs/dbraw/zinc/66/48/39/411664839.db2.gz JRHZSPXRFAVQKX-DDHJBXDOSA-N 0 3 245.319 0.041 20 0 BCADHN O=C1C[C@H](CN2CCOC[C@@H]2C2CCC2)CN1 ZINC000660901602 411664915 /nfs/dbraw/zinc/66/49/15/411664915.db2.gz FAGMMUYHTLYSFT-CMPLNLGQSA-N 0 3 238.331 0.623 20 0 BCADHN CO[C@@H](CN[C@@H]1COC[C@H]1OC)[C@@H]1CCOC1 ZINC000660902117 411665081 /nfs/dbraw/zinc/66/50/81/411665081.db2.gz JRHZSPXRFAVQKX-WISYIIOYSA-N 0 3 245.319 0.041 20 0 BCADHN C[C@H]1CN(C[C@@H]2CNC(=O)C2)CC2(CCC2)O1 ZINC000660907311 411667118 /nfs/dbraw/zinc/66/71/18/411667118.db2.gz XLKIRKGXOUBVTM-QWRGUYRKSA-N 0 3 238.331 0.766 20 0 BCADHN Cc1ccc(-c2cc(NC(=O)[C@H](C)N)[nH]n2)o1 ZINC000335360521 411668940 /nfs/dbraw/zinc/66/89/40/411668940.db2.gz KGEVFHUQFWCXNF-ZETCQYMHSA-N 0 3 234.259 1.264 20 0 BCADHN CCC1(C(=O)N2CCOC3(CNC3)C2)CC1 ZINC000663487712 411669438 /nfs/dbraw/zinc/66/94/38/411669438.db2.gz LCJCOTGZJJTFKC-UHFFFAOYSA-N 0 3 224.304 0.377 20 0 BCADHN Cc1ccc(-c2cc(NC(=O)[C@H]3CCN3)[nH]n2)o1 ZINC000335359031 411669952 /nfs/dbraw/zinc/66/99/52/411669952.db2.gz FKKQTNGODPTDAS-MRVPVSSYSA-N 0 3 246.270 1.279 20 0 BCADHN C[C@H]1CN(CCN2CCC[C@@H](O)C2)C[C@H](C)O1 ZINC000660922409 411674697 /nfs/dbraw/zinc/67/46/97/411674697.db2.gz NADDSCHLKKFYHF-RWMBFGLXSA-N 0 3 242.363 0.552 20 0 BCADHN CC1(C)C[C@H](N2CCN3C[C@H](O)C[C@H]3C2)CO1 ZINC000660923626 411674882 /nfs/dbraw/zinc/67/48/82/411674882.db2.gz GWBQKDHCUPHZBH-SDDRHHMPSA-N 0 3 240.347 0.305 20 0 BCADHN C[C@@H]1CN(CCN(CCO)C2CC2)C[C@H](C)O1 ZINC000314454486 411693495 /nfs/dbraw/zinc/69/34/95/411693495.db2.gz ZDOUMZKYUMCEIE-TXEJJXNPSA-N 0 3 242.363 0.552 20 0 BCADHN c1csc(CN2CCOC3(CNC3)C2)n1 ZINC000663513900 411694645 /nfs/dbraw/zinc/69/46/45/411694645.db2.gz XGTMBITVVGVKKS-UHFFFAOYSA-N 0 3 225.317 0.317 20 0 BCADHN COc1ccc(CN2CCOC3(CNC3)C2)cc1 ZINC000663513054 411695265 /nfs/dbraw/zinc/69/52/65/411695265.db2.gz MKOATYJIYYEIOS-UHFFFAOYSA-N 0 3 248.326 0.869 20 0 BCADHN CN(CCCN1CCOCC1)Cc1c[nH]cn1 ZINC000661084690 411696455 /nfs/dbraw/zinc/69/64/55/411696455.db2.gz GXWQUYXOONLJSZ-UHFFFAOYSA-N 0 3 238.335 0.564 20 0 BCADHN CN(CCCN1CCOCC1)Cc1cnc[nH]1 ZINC000661084690 411696460 /nfs/dbraw/zinc/69/64/60/411696460.db2.gz GXWQUYXOONLJSZ-UHFFFAOYSA-N 0 3 238.335 0.564 20 0 BCADHN O[C@H]1CC[N@H+](CC[N-]c2nnc(C(F)F)o2)C1 ZINC000624776992 411698008 /nfs/dbraw/zinc/69/80/08/411698008.db2.gz OTQLBGMEWRPXGP-LURJTMIESA-N 0 3 248.233 0.486 20 0 BCADHN O[C@H]1CC[N@@H+](CC[N-]c2nnc(C(F)F)o2)C1 ZINC000624776992 411698011 /nfs/dbraw/zinc/69/80/11/411698011.db2.gz OTQLBGMEWRPXGP-LURJTMIESA-N 0 3 248.233 0.486 20 0 BCADHN c1cc2c(ncnc2NCc2nnc[nH]2)[nH]1 ZINC000336658128 411701560 /nfs/dbraw/zinc/70/15/60/411701560.db2.gz IMZHGPHWDMBUGB-UHFFFAOYSA-N 0 3 215.220 0.688 20 0 BCADHN c1cc2c(ncnc2NCCc2nc[nH]n2)[nH]1 ZINC000357149716 411701810 /nfs/dbraw/zinc/70/18/10/411701810.db2.gz QBPZFNJIIKXSIY-UHFFFAOYSA-N 0 3 229.247 0.731 20 0 BCADHN c1cc2c(ncnc2NC[C@@H]2CSCCN2)[nH]1 ZINC000641688271 411702411 /nfs/dbraw/zinc/70/24/11/411702411.db2.gz XQYDZOOXBCPIMN-MRVPVSSYSA-N 0 3 249.343 1.075 20 0 BCADHN CCOCCNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000663570202 411703346 /nfs/dbraw/zinc/70/33/46/411703346.db2.gz PPPHAOAZVJVLBB-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000581822832 411728526 /nfs/dbraw/zinc/72/85/26/411728526.db2.gz RRFGKUQTZLESPA-SCSAIBSYSA-N 0 3 236.197 1.104 20 0 BCADHN COc1ccc2c(c1)[nH]nc2NC(=O)[C@H]1CCN1 ZINC000423764392 411730332 /nfs/dbraw/zinc/73/03/32/411730332.db2.gz XIJYTXSGPLCXID-SECBINFHSA-N 0 3 246.270 0.872 20 0 BCADHN Cc1cncnc1NC[C@H]1CCCN1C ZINC000641311315 411742314 /nfs/dbraw/zinc/74/23/14/411742314.db2.gz WQXCZJSOKVGVKN-SNVBAGLBSA-N 0 3 206.293 1.291 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000572759639 411750937 /nfs/dbraw/zinc/75/09/37/411750937.db2.gz NTBNRZYLOACYHH-IONNQARKSA-N 0 3 238.291 0.937 20 0 BCADHN CCc1[nH]nc(NC(=O)[C@@H](N)C2CCC2)c1C ZINC000574635066 411755065 /nfs/dbraw/zinc/75/50/65/411755065.db2.gz KECMNEIDFOGBKO-JTQLQIEISA-N 0 3 236.319 1.346 20 0 BCADHN CCc1[nH]nc(NC(=O)[C@H](N)CC(F)F)c1C ZINC000583869972 411756500 /nfs/dbraw/zinc/75/65/00/411756500.db2.gz QQESNBCMJJJXOJ-ZCFIWIBFSA-N 0 3 246.261 1.202 20 0 BCADHN CCc1[nH]nc(NC(=O)[C@H](C)NC2CC2)c1C ZINC000645954498 411757339 /nfs/dbraw/zinc/75/73/39/411757339.db2.gz VKJGZWPPCNWZEU-QMMMGPOBSA-N 0 3 236.319 1.360 20 0 BCADHN CCc1[nH]nc(NC(=O)[C@H]2CCN(C)C2)c1C ZINC000573219385 411757415 /nfs/dbraw/zinc/75/74/15/411757415.db2.gz AZHIGEFXFFIMNA-VIFPVBQESA-N 0 3 236.319 1.171 20 0 BCADHN CCc1nnc(N[C@H]2CCN(CC)C2)nc1CC ZINC000389165069 411792787 /nfs/dbraw/zinc/79/27/87/411792787.db2.gz MJJFYVDXQUPFBJ-JTQLQIEISA-N 0 3 249.362 1.503 20 0 BCADHN CO[C@@]1(CO)CCCN(CCOCC2CC2)C1 ZINC000661393648 411767496 /nfs/dbraw/zinc/76/74/96/411767496.db2.gz MYVUJBNDUSLXDG-ZDUSSCGKSA-N 0 3 243.347 0.886 20 0 BCADHN CCc1cc(NC[C@H]2CSCCN2)ncn1 ZINC000641687198 411769968 /nfs/dbraw/zinc/76/99/68/411769968.db2.gz JVOGDJZRIHJZLR-JTQLQIEISA-N 0 3 238.360 1.156 20 0 BCADHN COc1nc(C)cc(NC2CCN(C)CC2)n1 ZINC000354524721 411772939 /nfs/dbraw/zinc/77/29/39/411772939.db2.gz BXGWBXMUFRRTOA-UHFFFAOYSA-N 0 3 236.319 1.300 20 0 BCADHN CCCNC(=O)CN1CCCC[C@H]1[C@@H](C)CO ZINC000661431040 411773626 /nfs/dbraw/zinc/77/36/26/411773626.db2.gz BFABUJJWFSWHCB-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](CO)[C@@H]1CCCCN1CC(=O)N1CCC1 ZINC000661434647 411773703 /nfs/dbraw/zinc/77/37/03/411773703.db2.gz HUDYSEPEWLEBAP-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H](CO)[C@@H]1CCCCN1CC(=O)N(C)C ZINC000661436637 411775896 /nfs/dbraw/zinc/77/58/96/411775896.db2.gz VUFCQTRLKKEWEP-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN CCN(CCNC(=O)N[C@H]1C[C@H](O)C1)C1CC1 ZINC000663921207 411777089 /nfs/dbraw/zinc/77/70/89/411777089.db2.gz SRRPMNOTURIFAZ-HOMQSWHASA-N 0 3 241.335 0.293 20 0 BCADHN CNC(=O)CCN1CC2(CCC2)OC[C@H]1C ZINC000661464641 411782488 /nfs/dbraw/zinc/78/24/88/411782488.db2.gz AQTNAVKAFKYEDU-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H](C)[C@@H]1CCO ZINC000661486599 411785192 /nfs/dbraw/zinc/78/51/92/411785192.db2.gz BRBNPQHKAWBWKC-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@H](C)[C@H]1CCO ZINC000661486601 411785356 /nfs/dbraw/zinc/78/53/56/411785356.db2.gz BRBNPQHKAWBWKC-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN Cc1nccn1-c1cccc(NCCN(C)C)n1 ZINC000378402037 411787203 /nfs/dbraw/zinc/78/72/03/411787203.db2.gz LFPDKUHDUWHQPX-UHFFFAOYSA-N 0 3 245.330 1.549 20 0 BCADHN C[C@H]1CCCN(CC(=O)N(C)C)[C@H]1CCO ZINC000661488936 411787320 /nfs/dbraw/zinc/78/73/20/411787320.db2.gz ZBPUBTGSRPMQRI-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN O=C(CN[C@H](CO)C1CCC1)NCC1CC1 ZINC000661151137 411720241 /nfs/dbraw/zinc/72/02/41/411720241.db2.gz CTWGMZLNMJZKIP-LLVKDONJSA-N 0 3 226.320 0.263 20 0 BCADHN O=C(CN[C@H](CO)C1CCC1)N1CCCC1 ZINC000661152157 411721087 /nfs/dbraw/zinc/72/10/87/411721087.db2.gz WAXOYYFOQNXTHB-LLVKDONJSA-N 0 3 226.320 0.359 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(NC)nc1 ZINC000449561694 411723012 /nfs/dbraw/zinc/72/30/12/411723012.db2.gz XJPHCHNKTWDVAC-LDYMZIIASA-N 0 3 236.319 1.435 20 0 BCADHN Cc1cn(C)nc1NC(=O)[C@@H]1CCN(C)C1 ZINC000620920970 411726465 /nfs/dbraw/zinc/72/64/65/411726465.db2.gz DWUFBQMITWVVOU-SECBINFHSA-N 0 3 222.292 0.619 20 0 BCADHN COc1ccc2c(c1)[nH]nc2NC(=O)[C@H](C)N ZINC000423765762 411728333 /nfs/dbraw/zinc/72/83/33/411728333.db2.gz ZJPSJLAAPQDDJA-LURJTMIESA-N 0 3 234.259 0.857 20 0 BCADHN Cc1nnc(NCCN2CCCCC2)o1 ZINC000336731252 411797269 /nfs/dbraw/zinc/79/72/69/411797269.db2.gz KQPIDHJGSBSGOV-UHFFFAOYSA-N 0 3 210.281 1.276 20 0 BCADHN Cc1nnc2ccc(NCC3(N(C)C)CC3)nn12 ZINC000419003431 411807571 /nfs/dbraw/zinc/80/75/71/411807571.db2.gz CZTHMZKICJJDDS-UHFFFAOYSA-N 0 3 246.318 0.939 20 0 BCADHN CCCCOCCNC1(C(N)=O)CCOCC1 ZINC000661593750 411810032 /nfs/dbraw/zinc/81/00/32/411810032.db2.gz FWQMIWLEFBYKDI-UHFFFAOYSA-N 0 3 244.335 0.427 20 0 BCADHN CN(CCC1(O)CCC1)C[C@H]1COCCO1 ZINC000661613353 411810658 /nfs/dbraw/zinc/81/06/58/411810658.db2.gz IWVHMITXLJSYNB-NSHDSACASA-N 0 3 229.320 0.639 20 0 BCADHN CCn1ccnc(NCC2(NC)CCC2)c1=O ZINC000621324482 411812896 /nfs/dbraw/zinc/81/28/96/411812896.db2.gz MSIOTPQHOXNLAC-UHFFFAOYSA-N 0 3 236.319 0.817 20 0 BCADHN CN(CCc1ccncc1)C[C@H]1COCCO1 ZINC000661607317 411814029 /nfs/dbraw/zinc/81/40/29/411814029.db2.gz QRYPFKAWVVSDKE-ZDUSSCGKSA-N 0 3 236.315 0.971 20 0 BCADHN CC(C)OC[C@H](O)CN(C)C[C@@H]1COCCO1 ZINC000661604369 411814288 /nfs/dbraw/zinc/81/42/88/411814288.db2.gz DTEHMSIVJWKENH-VXGBXAGGSA-N 0 3 247.335 0.120 20 0 BCADHN CC[C@H](O)CN(C)C[C@@H]1COCCO1 ZINC000661603088 411814626 /nfs/dbraw/zinc/81/46/26/411814626.db2.gz GFLOFKGBBCMJKZ-VHSXEESVSA-N 0 3 203.282 0.105 20 0 BCADHN Cc1nccn1CCN(C)C[C@@H]1COCCO1 ZINC000661613263 411816018 /nfs/dbraw/zinc/81/60/18/411816018.db2.gz XOSYPUFKLFLKSX-GFCCVEGCSA-N 0 3 239.319 0.539 20 0 BCADHN CN(C)C1(CNc2ncnc3c2nnn3C)CC1 ZINC000664023215 411816360 /nfs/dbraw/zinc/81/63/60/411816360.db2.gz YLZFGRNNFBSNBO-UHFFFAOYSA-N 0 3 247.306 0.264 20 0 BCADHN CCC[C@@H](O)CN(C)C[C@H]1COCCO1 ZINC000661614070 411818128 /nfs/dbraw/zinc/81/81/28/411818128.db2.gz NLLAATHVEIQKBV-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN C[C@@H](CNc1ccc2c(n1)CCC2=O)N(C)C ZINC000573654308 411819358 /nfs/dbraw/zinc/81/93/58/411819358.db2.gz ZYLLGESTDRFMTH-VIFPVBQESA-N 0 3 233.315 1.573 20 0 BCADHN C[C@@H]1CN(CCN2CCCC2=O)C[C@H](C)[C@H]1O ZINC000661627864 411823709 /nfs/dbraw/zinc/82/37/09/411823709.db2.gz CSMTWLSGUVOJTN-PJXYFTJBSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H](C)C1O ZINC000661627944 411823852 /nfs/dbraw/zinc/82/38/52/411823852.db2.gz RRDHZKQTFSGGSZ-OPRDCNLKSA-N 0 3 226.320 0.214 20 0 BCADHN C[C@@H]1CN(Cc2ccnn2C)C[C@@H](C)C1O ZINC000661629331 411824166 /nfs/dbraw/zinc/82/41/66/411824166.db2.gz WHBZALWFWMGUAV-NXEZZACHSA-N 0 3 223.320 0.869 20 0 BCADHN CN(CCn1cncn1)CC1=CCCOC1 ZINC000661651861 411829028 /nfs/dbraw/zinc/82/90/28/411829028.db2.gz FHTIIPFNWNJQQB-UHFFFAOYSA-N 0 3 222.292 0.557 20 0 BCADHN CN(CCc1cn[nH]n1)CC1=CCCOC1 ZINC000661654135 411830070 /nfs/dbraw/zinc/83/00/70/411830070.db2.gz WZHMUSPVOBSCNP-UHFFFAOYSA-N 0 3 222.292 0.626 20 0 BCADHN CC(C)NC(=O)CN1C[C@@H]2COC[C@]2(C)C1 ZINC000661697687 411834938 /nfs/dbraw/zinc/83/49/38/411834938.db2.gz PLMDJDGKCVRXGQ-PWSUYJOCSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccon1 ZINC000335330094 411835594 /nfs/dbraw/zinc/83/55/94/411835594.db2.gz GYMRSWTYPUHEOG-SECBINFHSA-N 0 3 238.291 1.233 20 0 BCADHN O=C1NCC[C@H]1N1CCC[C@H](CCF)C1 ZINC000661692637 411842211 /nfs/dbraw/zinc/84/22/11/411842211.db2.gz IICVVZPXISISBM-NXEZZACHSA-N 0 3 214.284 0.947 20 0 BCADHN Cn1[nH]cnc1=N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000664080769 411843438 /nfs/dbraw/zinc/84/34/38/411843438.db2.gz ZJGXCZKQKHVKDU-MNOVXSKESA-N 0 3 235.335 0.666 20 0 BCADHN CCN(C)C(=O)CN1C[C@H]2COC[C@]2(C)C1 ZINC000661706999 411852019 /nfs/dbraw/zinc/85/20/19/411852019.db2.gz PZIXJCHEAGJWJM-JQWIXIFHSA-N 0 3 226.320 0.433 20 0 BCADHN CCN(CCC(=O)OC)Cc1ccc(N)nc1 ZINC000592431361 411854542 /nfs/dbraw/zinc/85/45/42/411854542.db2.gz XBBGTVMIYVNZQW-UHFFFAOYSA-N 0 3 237.303 1.049 20 0 BCADHN CCN1CCCN([C@H](C)c2nccc(N)n2)CC1 ZINC000566569064 411857286 /nfs/dbraw/zinc/85/72/86/411857286.db2.gz HASIAZSIOKQABJ-LLVKDONJSA-N 0 3 249.362 1.147 20 0 BCADHN CC[C@H](N)c1cn(Cc2ccnc(N)c2)nn1 ZINC000641069243 411886047 /nfs/dbraw/zinc/88/60/47/411886047.db2.gz ZZXBPEWLGNCVKD-VIFPVBQESA-N 0 3 232.291 0.713 20 0 BCADHN CCc1cc(NCc2nc(C(N)=O)co2)ccn1 ZINC000664195804 411886626 /nfs/dbraw/zinc/88/66/26/411886626.db2.gz RCAVIKWOYMDRRM-UHFFFAOYSA-N 0 3 246.270 0.765 20 0 BCADHN CC[C@@H](O)CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000664219617 411887728 /nfs/dbraw/zinc/88/77/28/411887728.db2.gz SLYWTSKQCVFSLC-OUAUKWLOSA-N 0 3 243.351 0.539 20 0 BCADHN CC(C)NCC(=O)N(C)CC[C@@H](C)O ZINC000219750514 411887773 /nfs/dbraw/zinc/88/77/73/411887773.db2.gz BFOCTPVAUBKUAG-SECBINFHSA-N 0 3 202.298 0.214 20 0 BCADHN CN1CCN([C@H]2CCCOC2)CCC1=O ZINC000661809974 411888323 /nfs/dbraw/zinc/88/83/23/411888323.db2.gz YRDNCGDWSXBIKH-JTQLQIEISA-N 0 3 212.293 0.330 20 0 BCADHN CN1CCN(CC2CCOCC2)CCC1=O ZINC000661808509 411888552 /nfs/dbraw/zinc/88/85/52/411888552.db2.gz RDSAXJZNWBUNNI-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN CN1CCN(CC[C@H]2CCCO2)CCC1=O ZINC000661806597 411889111 /nfs/dbraw/zinc/88/91/11/411889111.db2.gz MLLYWSJAVQBUNH-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN C[C@@H](O)CN1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000366988918 411890684 /nfs/dbraw/zinc/89/06/84/411890684.db2.gz NBUONZFNBBBHCX-NXEZZACHSA-N 0 3 236.319 0.619 20 0 BCADHN COC[C@@H](C)N1CCC(=O)N(C)CC1 ZINC000661812594 411891031 /nfs/dbraw/zinc/89/10/31/411891031.db2.gz OQMDFERSHMVGNW-SECBINFHSA-N 0 3 200.282 0.185 20 0 BCADHN C[C@H](CO)CN1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662011170 411942069 /nfs/dbraw/zinc/94/20/69/411942069.db2.gz JNKAYRBNDIVAEA-WDEREUQCSA-N 0 3 243.351 0.303 20 0 BCADHN C[C@@H](O)CN1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639822668 411891816 /nfs/dbraw/zinc/89/18/16/411891816.db2.gz RKXDEIOEPVPLQY-HTQZYQBOSA-N 0 3 226.280 0.212 20 0 BCADHN O=C(CN[C@@H]1C[C@H](O)C12CCC2)NCC1CC1 ZINC000661824175 411892249 /nfs/dbraw/zinc/89/22/49/411892249.db2.gz AKNFHBLXGLWMLQ-MNOVXSKESA-N 0 3 238.331 0.406 20 0 BCADHN CC(=O)[C@](C)(O)CN[C@@H]1C[C@H](O)C12CCC2 ZINC000661826389 411892305 /nfs/dbraw/zinc/89/23/05/411892305.db2.gz IOYBMJGHFALTBU-OUAUKWLOSA-N 0 3 227.304 0.220 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCc1ccnc(C)n1 ZINC000038038152 170777973 /nfs/dbraw/zinc/77/79/73/170777973.db2.gz RJNAQEXTGIJSSJ-LDYMZIIASA-N 0 3 236.319 0.775 20 0 BCADHN C[C@@H](CCN=c1ncnc2[nH][n-]cc1-2)[NH+](C)C ZINC000664245174 411896543 /nfs/dbraw/zinc/89/65/43/411896543.db2.gz YKJFFDXSJMXJEW-QMMMGPOBSA-N 0 3 234.307 0.479 20 0 BCADHN CN1CC[C@@H](c2nc(-c3cncnc3N)no2)C1 ZINC000350218959 411897234 /nfs/dbraw/zinc/89/72/34/411897234.db2.gz NSXYSRWDRAYLMW-SSDOTTSWSA-N 0 3 246.274 0.528 20 0 BCADHN CCN(CCNC(=O)c1ncnn1C)C1CC1 ZINC000664249864 411898519 /nfs/dbraw/zinc/89/85/19/411898519.db2.gz DIEFBKHASJNFKG-UHFFFAOYSA-N 0 3 237.307 0.029 20 0 BCADHN CC(C)NC(=O)CN[C@H]1C[C@@H](O)C12CCC2 ZINC000661843449 411899379 /nfs/dbraw/zinc/89/93/79/411899379.db2.gz XZZZVBBBXYPDBE-VHSXEESVSA-N 0 3 226.320 0.404 20 0 BCADHN CCNC(=O)CN[C@H]1C[C@H](O)C12CCC2 ZINC000661842033 411899444 /nfs/dbraw/zinc/89/94/44/411899444.db2.gz ULIJNLNLQYBCMB-IUCAKERBSA-N 0 3 212.293 0.016 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2ncnn2C)CCN1C ZINC000664255813 411900597 /nfs/dbraw/zinc/90/05/97/411900597.db2.gz TWHNVGCCEFADLG-IUCAKERBSA-N 0 3 237.307 0.028 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2ncnn2C)CN1C1CC1 ZINC000664259707 411902168 /nfs/dbraw/zinc/90/21/68/411902168.db2.gz FJGNPHGKJITJPR-BDAKNGLRSA-N 0 3 249.318 0.170 20 0 BCADHN C[C@@H]1CCN(CCN2CCOCC2)C[C@H](C)O1 ZINC000661859420 411904509 /nfs/dbraw/zinc/90/45/09/411904509.db2.gz WPOWBNDGZGZBIR-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN COC(=O)CC1(NCc2cnc(N)s2)CC1 ZINC000565060467 411906357 /nfs/dbraw/zinc/90/63/57/411906357.db2.gz JLOOKNNHKHJPMZ-UHFFFAOYSA-N 0 3 241.316 0.911 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1Cc1ccnc(N)c1 ZINC000399394059 411907637 /nfs/dbraw/zinc/90/76/37/411907637.db2.gz CZIYOMGWULPYHC-MWLCHTKSSA-N 0 3 221.304 1.009 20 0 BCADHN CN(C)CCn1cc(-c2cnc(N)nc2)cn1 ZINC000629754582 411909646 /nfs/dbraw/zinc/90/96/46/411909646.db2.gz XSBVUDQYUYUHPU-UHFFFAOYSA-N 0 3 232.291 0.484 20 0 BCADHN CN(C)CCc1cn(Cc2ccnc(N)c2)nn1 ZINC000641068278 411909988 /nfs/dbraw/zinc/90/99/88/411909988.db2.gz NDGVBWHPFLMNNR-UHFFFAOYSA-N 0 3 246.318 0.408 20 0 BCADHN C[C@@H]1CN(c2nc(N)nc3c2CCCC3)CCN1 ZINC000647704650 411910323 /nfs/dbraw/zinc/91/03/23/411910323.db2.gz CQFCGHYSAXZWPM-SECBINFHSA-N 0 3 247.346 0.736 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2ccnc(N)c2)nn1 ZINC000641067788 411912296 /nfs/dbraw/zinc/91/22/96/411912296.db2.gz AHIPVPZEGFGSKP-SNVBAGLBSA-N 0 3 246.318 1.104 20 0 BCADHN C[C@H](c1ccccn1)N1CCC(CO)(CO)C1 ZINC000661949745 411917826 /nfs/dbraw/zinc/91/78/26/411917826.db2.gz XAHBCRUBSCINCO-LLVKDONJSA-N 0 3 236.315 0.819 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N[C@@H](CC)CO)C1 ZINC000661949060 411918648 /nfs/dbraw/zinc/91/86/48/411918648.db2.gz QQSIUALRVFTNPE-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN CN(CC1CN(C)C1)c1ccncc1C(N)=O ZINC000664331268 411922280 /nfs/dbraw/zinc/92/22/80/411922280.db2.gz PKMLMBGKFIPYLO-UHFFFAOYSA-N 0 3 234.303 0.178 20 0 BCADHN Cc1nccc(N(C)CC2CN(C)C2)n1 ZINC000664328750 411922756 /nfs/dbraw/zinc/92/27/56/411922756.db2.gz CSRAKXCOILPNOH-UHFFFAOYSA-N 0 3 206.293 0.783 20 0 BCADHN CN(C)c1nccc(N(C)CC2CN(C)C2)n1 ZINC000664330282 411923021 /nfs/dbraw/zinc/92/30/21/411923021.db2.gz ISCUVSITOLVIHB-UHFFFAOYSA-N 0 3 235.335 0.540 20 0 BCADHN C[C@H](c1nccc(N)n1)N(C)CCN(C)C1CC1 ZINC000583820303 411926603 /nfs/dbraw/zinc/92/66/03/411926603.db2.gz YSOWIANNZGFLNB-SNVBAGLBSA-N 0 3 249.362 1.146 20 0 BCADHN C[C@H](c1nccc(N)n1)N(C)C[C@H]1CCCN1C ZINC000576477353 411928193 /nfs/dbraw/zinc/92/81/93/411928193.db2.gz VNLFONYQQUNLHJ-GHMZBOCLSA-N 0 3 249.362 1.146 20 0 BCADHN NS(=O)(=O)CCCN1CC[C@H]2C[C@H]2C1 ZINC000661972214 411928808 /nfs/dbraw/zinc/92/88/08/411928808.db2.gz JIBIHHYZANIHBI-IUCAKERBSA-N 0 3 218.322 0.007 20 0 BCADHN C[C@H]1CCNC(=O)[C@H]1NCc1ccc(N)nc1 ZINC000647537744 411930763 /nfs/dbraw/zinc/93/07/63/411930763.db2.gz FLIMNZDTIARKEU-KWQFWETISA-N 0 3 234.303 0.278 20 0 BCADHN C[C@]1(F)CNCCN(Cc2cnc(N)s2)C1 ZINC000414767845 411933556 /nfs/dbraw/zinc/93/35/56/411933556.db2.gz GWNBCPZICMDOQZ-JTQLQIEISA-N 0 3 244.339 0.859 20 0 BCADHN CO[C@@H]1CCCC[C@H]1NC(=O)NCCN(C)C ZINC000133768077 411939411 /nfs/dbraw/zinc/93/94/11/411939411.db2.gz YAAGSSKJGJAERC-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1Cc1ccnn1C ZINC000661764600 411874045 /nfs/dbraw/zinc/87/40/45/411874045.db2.gz GYWXJVXRHQPCER-MWLCHTKSSA-N 0 3 209.293 0.765 20 0 BCADHN CC(C)[C@H](N)c1cn(Cc2ccnc(N)c2)nn1 ZINC000641067796 411878901 /nfs/dbraw/zinc/87/89/01/411878901.db2.gz BAVWGOQIHPSGGA-LBPRGKRZSA-N 0 3 246.318 0.959 20 0 BCADHN CC[C@@H](O)CN1CCC(c2nnc(N)o2)CC1 ZINC000639724486 411879631 /nfs/dbraw/zinc/87/96/31/411879631.db2.gz NAFNNTBTKFJDDC-SECBINFHSA-N 0 3 240.307 0.602 20 0 BCADHN C[C@H](O)[C@H]1CCCN1CC(=O)NC1CC1 ZINC000661771366 411880392 /nfs/dbraw/zinc/88/03/92/411880392.db2.gz BCYNSWSCJYYONU-WCBMZHEXSA-N 0 3 212.293 0.110 20 0 BCADHN CC[C@H](C)NC(=O)CN1CCC[C@@H]1[C@H](C)O ZINC000661771429 411882041 /nfs/dbraw/zinc/88/20/41/411882041.db2.gz CMYJOOVEHSCDEQ-GARJFASQSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@H](O)[C@H]1CCCN1CC(=O)N1CCCCC1 ZINC000661773299 411882801 /nfs/dbraw/zinc/88/28/01/411882801.db2.gz GDBCXZITBLZVAC-NWDGAFQWSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H](Cn1cncn1)NCc1cnc(N)s1 ZINC000381630374 411883083 /nfs/dbraw/zinc/88/30/83/411883083.db2.gz MMNJDTGVZBORMK-ZETCQYMHSA-N 0 3 238.320 0.495 20 0 BCADHN C[C@@H](CSc1nc(N)n[nH]1)N(C)C ZINC000336659503 411883166 /nfs/dbraw/zinc/88/31/66/411883166.db2.gz SVTRERSTNVCQGM-YFKPBYRVSA-N 0 3 201.299 0.429 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@@H]1[C@H](C)O ZINC000661772948 411883485 /nfs/dbraw/zinc/88/34/85/411883485.db2.gz NTIBUTKGLUILHA-VHSXEESVSA-N 0 3 214.309 0.356 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1CC(=O)N1CCC1 ZINC000661773470 411883756 /nfs/dbraw/zinc/88/37/56/411883756.db2.gz ICFHHFRBPHVIKD-NXEZZACHSA-N 0 3 212.293 0.064 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@@H]2COC[C@H]2C1 ZINC000662045883 411964162 /nfs/dbraw/zinc/96/41/62/411964162.db2.gz ZLXQGGQTDXRGDU-GMTAPVOTSA-N 0 3 226.320 0.431 20 0 BCADHN Cc1nc(N)nc(N2CC[C@@H](N3CCCC3)C2)n1 ZINC000385117963 411964687 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213.281 0.444 20 0 BCADHN CC[C@@H]1CN(C(=O)/C=C/CN(C)C)C[C@@H]1O ZINC000270572522 171060442 /nfs/dbraw/zinc/06/04/42/171060442.db2.gz PJYNNDWIVLCVHW-PVTPVBHGSA-N 0 3 226.320 0.334 20 0 BCADHN CC[C@@H]1CN(C(=O)C(C)(C)N)CCO1 ZINC000040920781 171061725 /nfs/dbraw/zinc/06/17/25/171061725.db2.gz XZCBRXUSRHGKJU-MRVPVSSYSA-N 0 3 200.282 0.361 20 0 BCADHN CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1O ZINC000340806912 171064393 /nfs/dbraw/zinc/06/43/93/171064393.db2.gz WCUSRWCWZIBJHS-GHMZBOCLSA-N 0 3 228.336 0.556 20 0 BCADHN CC[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1O ZINC000341023597 171075785 /nfs/dbraw/zinc/07/57/85/171075785.db2.gz SMHXZVFINMDLLR-MWLCHTKSSA-N 0 3 226.320 0.310 20 0 BCADHN CC[C@@H]1CN(CCN2CCNC2=O)CCCO1 ZINC000336705976 171080116 /nfs/dbraw/zinc/08/01/16/171080116.db2.gz LIVNLDDXMBFIJQ-LLVKDONJSA-N 0 3 241.335 0.513 20 0 BCADHN CC[C@@H]1CN(C[C@H](O)CN(C)C2CC2)CCO1 ZINC000310330804 171086442 /nfs/dbraw/zinc/08/64/42/171086442.db2.gz JZOAGSJIRPLNRS-CHWSQXEVSA-N 0 3 242.363 0.552 20 0 BCADHN CC[C@@H]1CN(Cc2cc(C)ncn2)C[C@@H]1O ZINC000293052463 171089401 /nfs/dbraw/zinc/08/94/01/171089401.db2.gz FWSLWLBMEXUXOH-PWSUYJOCSA-N 0 3 221.304 0.988 20 0 BCADHN CC[C@@H]1CN([C@H]2CCCNC2=O)CCCO1 ZINC000334447039 171095249 /nfs/dbraw/zinc/09/52/49/171095249.db2.gz LNURRROJRDAALA-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@@H]1CN([C@@H]2CCN(C(C)C)C2=O)C[C@H]1O ZINC000341015493 171095944 /nfs/dbraw/zinc/09/59/44/171095944.db2.gz RADFMIWZOOCCNV-IJLUTSLNSA-N 0 3 240.347 0.698 20 0 BCADHN CC[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC000341018224 171096792 /nfs/dbraw/zinc/09/67/92/171096792.db2.gz VNXPIGLBGMUTCD-OPRDCNLKSA-N 0 3 214.309 0.166 20 0 BCADHN CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CNC ZINC000370768138 171098900 /nfs/dbraw/zinc/09/89/00/171098900.db2.gz YMPWUUVPALFSLM-VXGBXAGGSA-N 0 3 239.363 0.681 20 0 BCADHN CC[C@@H]1COCCN1C(=O)CNC1CC1 ZINC000037477020 171102654 /nfs/dbraw/zinc/10/26/54/171102654.db2.gz FZZKRDVNZLIQJB-SNVBAGLBSA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@@H]1CO[C@H](C)CN1C(=O)[C@H](C)N ZINC000040456517 171112214 /nfs/dbraw/zinc/11/22/14/171112214.db2.gz QZTYWBBUVQPRQC-HRDYMLBCSA-N 0 3 200.282 0.360 20 0 BCADHN NC(=O)[C@@H]1C[C@@H](O)CN1CCC1=CCCCC1 ZINC000665045862 412065993 /nfs/dbraw/zinc/06/59/93/412065993.db2.gz DKTFKKPNPNXCSK-NEPJUHHUSA-N 0 3 238.331 0.797 20 0 BCADHN C[C@H]1CCCC[C@@H]1CN1C[C@H](O)C[C@H]1C(N)=O ZINC000665050053 412068755 /nfs/dbraw/zinc/06/87/55/412068755.db2.gz ZPLVAHNFBGLCRH-QCNOEVLYSA-N 0 3 240.347 0.733 20 0 BCADHN FC1(F)CCN(C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662277378 412069312 /nfs/dbraw/zinc/06/93/12/412069312.db2.gz QEJUHJKMMMJDDQ-VIFPVBQESA-N 0 3 232.274 0.848 20 0 BCADHN CC[C@@H]1OCC[C@H]1N[C@H](C)C(=O)NC1CC1 ZINC000333897181 171152976 /nfs/dbraw/zinc/15/29/76/171152976.db2.gz RUXGXHKPKTUQPJ-IEBDPFPHSA-N 0 3 226.320 0.811 20 0 BCADHN FC1(F)CCN(C[C@H]2CCC3(CNC3)O2)C1 ZINC000662277375 412069440 /nfs/dbraw/zinc/06/94/40/412069440.db2.gz QEJUHJKMMMJDDQ-SECBINFHSA-N 0 3 232.274 0.848 20 0 BCADHN C[C@@H]1COCCN1C[C@H]1CCC2(CNC2)O1 ZINC000662278299 412070703 /nfs/dbraw/zinc/07/07/03/412070703.db2.gz FCTQOXYQGAFPPP-GHMZBOCLSA-N 0 3 226.320 0.228 20 0 BCADHN CC[C@@](C)(NCCc1cnn(C)c1)C(N)=O ZINC000303336029 171175896 /nfs/dbraw/zinc/17/58/96/171175896.db2.gz JVPMLDGYFZRVTI-LLVKDONJSA-N 0 3 224.308 0.206 20 0 BCADHN CC[C@@](C)(O)CN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364071288 171177674 /nfs/dbraw/zinc/17/76/74/171177674.db2.gz NDPRNJOSEQZYIP-VXGBXAGGSA-N 0 3 242.319 0.722 20 0 BCADHN CC[C@@](C)(O)CNC(=O)NCCN(C)C1CC1 ZINC000352729637 171181291 /nfs/dbraw/zinc/18/12/91/171181291.db2.gz ACUZSJNBJBZKKF-GFCCVEGCSA-N 0 3 243.351 0.541 20 0 BCADHN CC[C@@](C)(O)CNC(=O)[C@H](C(C)C)N(C)C ZINC000075227714 171181393 /nfs/dbraw/zinc/18/13/93/171181393.db2.gz LXKVEBVVHVGILR-CMPLNLGQSA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@@](C)(O)CNC(=O)N[C@H](C)CN(C)C ZINC000358533452 171181642 /nfs/dbraw/zinc/18/16/42/171181642.db2.gz VCFFEXDODKEGGL-MWLCHTKSSA-N 0 3 231.340 0.397 20 0 BCADHN CC[C@@](C)(O)CNCc1cn(C)nc1C ZINC000126032699 171184408 /nfs/dbraw/zinc/18/44/08/171184408.db2.gz NHJNYAGIURNKOZ-LLVKDONJSA-N 0 3 211.309 0.979 20 0 BCADHN CC[C@@](C)(O)CNCc1cnn(CCOC)c1 ZINC000266169215 171184671 /nfs/dbraw/zinc/18/46/71/171184671.db2.gz BPCHZLTYAUTNFX-GFCCVEGCSA-N 0 3 241.335 0.780 20 0 BCADHN CC[C@@](C)(O)CN[C@@H](C)CS(=O)(=O)CC ZINC000121053637 171184893 /nfs/dbraw/zinc/18/48/93/171184893.db2.gz MOEIDGNAPCYICC-VHSXEESVSA-N 0 3 237.365 0.560 20 0 BCADHN CC[C@@](C)(OC)C(=O)N[C@H](C)CN(C)C ZINC000346146681 171190437 /nfs/dbraw/zinc/19/04/37/171190437.db2.gz VRPDBONJKWTYSS-MWLCHTKSSA-N 0 3 216.325 0.868 20 0 BCADHN CC[C@@]1(CO)CCCN(CCn2cncn2)C1 ZINC000330701912 171210596 /nfs/dbraw/zinc/21/05/96/171210596.db2.gz HSONPQYYSHNSHS-GFCCVEGCSA-N 0 3 238.335 0.763 20 0 BCADHN CC[C@@]1(CO)CCCN(C[C@@](C)(O)C(C)=O)C1 ZINC000331349315 171211654 /nfs/dbraw/zinc/21/16/54/171211654.db2.gz XTLJTEHDSASKGP-CHWSQXEVSA-N 0 3 243.347 0.811 20 0 BCADHN CC[C@H](C(=O)N(C)[C@H]1CCCOC1)N(C)C ZINC000340838538 171221871 /nfs/dbraw/zinc/22/18/71/171221871.db2.gz GZAQERNSTHCZRN-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@H](C(=O)N(C)C[C@H]1CCC[C@H]1O)N(C)C ZINC000339191324 171221921 /nfs/dbraw/zinc/22/19/21/171221921.db2.gz OBYVUBLVSOEFAC-IJLUTSLNSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](C(=O)N1CC(n2cncn2)C1)N(C)C ZINC000370653728 171222158 /nfs/dbraw/zinc/22/21/58/171222158.db2.gz NKJYXKUCCMFNLJ-SNVBAGLBSA-N 0 3 237.307 0.002 20 0 BCADHN CC[C@H](C(=O)N(C)Cc1ncc[nH]1)N(C)C ZINC000338971430 171223359 /nfs/dbraw/zinc/22/33/59/171223359.db2.gz GFCFWMWWDRTVTC-SECBINFHSA-N 0 3 224.308 0.708 20 0 BCADHN CC[C@H](C(=O)N(CC)CCC(=O)OC)N(C)C ZINC000118965008 171223368 /nfs/dbraw/zinc/22/33/68/171223368.db2.gz DMBRKBLQPCPKTQ-SNVBAGLBSA-N 0 3 244.335 0.738 20 0 BCADHN CC[C@H](C(=O)N1CCC(CO)CC1)N(C)C ZINC000305164990 171224747 /nfs/dbraw/zinc/22/47/47/171224747.db2.gz OGYHRPVJBNROAW-LLVKDONJSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@H](C(=O)N1CCC([C@H](C)O)CC1)N(C)C ZINC000360980886 171224936 /nfs/dbraw/zinc/22/49/36/171224936.db2.gz DAAQHIJWYJZQQD-CMPLNLGQSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](C(=O)N1C[C@H](C)N(C)[C@@H](C)C1)N(C)C ZINC000358709973 171225089 /nfs/dbraw/zinc/22/50/89/171225089.db2.gz AZGHITOUICTBLW-SDDRHHMPSA-N 0 3 241.379 0.878 20 0 BCADHN CC[C@H](C(=O)N1CCc2n[nH]nc2C1)N(C)C ZINC000338962788 171225647 /nfs/dbraw/zinc/22/56/47/171225647.db2.gz GXQBSOFAOHWFDQ-SNVBAGLBSA-N 0 3 237.307 0.030 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](C)N(C)C[C@@H]1C)N(C)C ZINC000352777695 171225851 /nfs/dbraw/zinc/22/58/51/171225851.db2.gz CJIBLTLEKYNYSN-GRYCIOLGSA-N 0 3 241.379 0.878 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H](COC)C1)N(C)C ZINC000338961125 171226039 /nfs/dbraw/zinc/22/60/39/171226039.db2.gz OKAFPDYZCYYHLB-GHMZBOCLSA-N 0 3 228.336 0.822 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H]2OCC[C@H]2C1)N(C)C ZINC000373253925 171226381 /nfs/dbraw/zinc/22/63/81/171226381.db2.gz GHCCRBMBUHHDFL-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@H](C(=O)NCC1(CO)CCCC1)N(C)C ZINC000186997618 171226754 /nfs/dbraw/zinc/22/67/54/171226754.db2.gz RKOYOBGBZNOYIA-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C(=O)NCC[C@@H](C)O)N(CC)CC ZINC000346237460 171228191 /nfs/dbraw/zinc/22/81/91/171228191.db2.gz MMXBNVJRPXHTSJ-GHMZBOCLSA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@H](C(=O)NCCCCC(=O)OC)N(C)C ZINC000124978113 171228485 /nfs/dbraw/zinc/22/84/85/171228485.db2.gz NGTHNCYFKZYVEH-SNVBAGLBSA-N 0 3 244.335 0.786 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCCC[C@H]1O)N(C)C ZINC000246842175 171229297 /nfs/dbraw/zinc/22/92/97/171229297.db2.gz BAQKJYCROSMMKC-QJPTWQEYSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCCO1)N(C)C ZINC000124417666 171229363 /nfs/dbraw/zinc/22/93/63/171229363.db2.gz KIMGDJRIDPEPOR-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H](C(=O)NC[C@H](OC)C1CC1)N(C)C ZINC000358189932 171229837 /nfs/dbraw/zinc/22/98/37/171229837.db2.gz VWKOEBWAZNAJQH-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@H](C(=O)NCc1ccc(=O)[nH]c1)N(C)C ZINC000268734427 171230453 /nfs/dbraw/zinc/23/04/53/171230453.db2.gz NBALKDIEIREDAB-SNVBAGLBSA-N 0 3 237.303 0.744 20 0 BCADHN CC[C@H](C(=O)NCc1snnc1C)N(C)C ZINC000293721540 171230573 /nfs/dbraw/zinc/23/05/73/171230573.db2.gz PMHRPARPZMPNNA-MRVPVSSYSA-N 0 3 242.348 0.803 20 0 BCADHN CC[C@H](C(=O)NC[C@]1(OC)CCOC1)N(C)C ZINC000330913568 171230747 /nfs/dbraw/zinc/23/07/47/171230747.db2.gz XRAYXIWRMHKDRO-ZYHUDNBSSA-N 0 3 244.335 0.248 20 0 BCADHN CC[C@H](C(=O)NCc1cnn(C)c1)N(C)C ZINC000161531661 171231005 /nfs/dbraw/zinc/23/10/05/171231005.db2.gz PCSQSAXGAPBRHT-SNVBAGLBSA-N 0 3 224.308 0.377 20 0 BCADHN CC[C@H](C(=O)NCc1cn(C)nc1C)N(C)C ZINC000274839905 171231192 /nfs/dbraw/zinc/23/11/92/171231192.db2.gz PLXSYKRIRJFMRY-LLVKDONJSA-N 0 3 238.335 0.685 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)Cn1cccn1)N(C)C ZINC000330428029 171231460 /nfs/dbraw/zinc/23/14/60/171231460.db2.gz JHXKILXMDKUMGR-WDEREUQCSA-N 0 3 238.335 0.728 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1CO)N(C)C ZINC000331359032 171231644 /nfs/dbraw/zinc/23/16/44/171231644.db2.gz VYIJUVATQDFEIH-IJLUTSLNSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)CC(N)=O)N(CC)CC ZINC000361035961 171231725 /nfs/dbraw/zinc/23/17/25/171231725.db2.gz DWQJFODQZMJDQK-VHSXEESVSA-N 0 3 243.351 0.487 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)[C@H]1CCOC1)N(C)C ZINC000337117354 171231735 /nfs/dbraw/zinc/23/17/35/171231735.db2.gz UUKIIIYSBKDOBT-GARJFASQSA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)Cn1cccn1)N(C)C ZINC000330428024 171232575 /nfs/dbraw/zinc/23/25/75/171232575.db2.gz JHXKILXMDKUMGR-GHMZBOCLSA-N 0 3 238.335 0.728 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)COC)N(C)C ZINC000124477375 171232801 /nfs/dbraw/zinc/23/28/01/171232801.db2.gz ZTLLMGBRSZIZAW-RKDXNWHRSA-N 0 3 202.298 0.478 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)CCOC)N(C)C ZINC000125040310 171233007 /nfs/dbraw/zinc/23/30/07/171233007.db2.gz IPUXQOVZTDVFHO-NXEZZACHSA-N 0 3 216.325 0.868 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)[C@H](CO)SC)N(C)C ZINC000305355177 171233039 /nfs/dbraw/zinc/23/30/39/171233039.db2.gz RSAISDXOXMIQFT-BBBLOLIVSA-N 0 3 248.392 0.555 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)CCCO)N(C)C ZINC000305115922 171233142 /nfs/dbraw/zinc/23/31/42/171233142.db2.gz HYBJVGGXKOYGDA-NXEZZACHSA-N 0 3 216.325 0.604 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCCC[C@H]1CO)N(C)C ZINC000331359034 171234464 /nfs/dbraw/zinc/23/44/64/171234464.db2.gz VYIJUVATQDFEIH-SDDRHHMPSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(N)=O)N1CCCN(CC(C)C)CC1 ZINC000369511859 171243469 /nfs/dbraw/zinc/24/34/69/171243469.db2.gz PJVASUALAMUHEJ-GFCCVEGCSA-N 0 3 241.379 0.914 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000245393671 171243552 /nfs/dbraw/zinc/24/35/52/171243552.db2.gz DIBOWJBEHDJOOF-VHSXEESVSA-N 0 3 241.335 0.228 20 0 BCADHN CC[C@H](C(N)=O)N1CCC(n2ccnc2)CC1 ZINC000109793658 171243896 /nfs/dbraw/zinc/24/38/96/171243896.db2.gz FZCVXUMZWAXIRN-LLVKDONJSA-N 0 3 236.319 0.784 20 0 BCADHN CC[C@H](C)C(=O)NCCN(C)CCOC ZINC000339245485 171251168 /nfs/dbraw/zinc/25/11/68/171251168.db2.gz GDGICRKQWQCAGD-JTQLQIEISA-N 0 3 216.325 0.727 20 0 BCADHN CC[C@H](C)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000340952523 171253657 /nfs/dbraw/zinc/25/36/57/171253657.db2.gz KASGYNIASFEJLX-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H](C)CCC(=O)NC[C@]1(O)CCN(C)C1 ZINC000354669987 171267283 /nfs/dbraw/zinc/26/72/83/171267283.db2.gz AFNRHCYAYNBTJI-WCQYABFASA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C)CN(C)[C@H](C)C(=O)NC(N)=O ZINC000247673938 171273566 /nfs/dbraw/zinc/27/35/66/171273566.db2.gz QOGPRTKWTPMLLM-JGVFFNPUSA-N 0 3 215.297 0.548 20 0 BCADHN CC[C@H](C)CS(=O)(=O)NCCNC ZINC000237117649 171291937 /nfs/dbraw/zinc/29/19/37/171291937.db2.gz SUXBDCJEGBMYQT-QMMMGPOBSA-N 0 3 208.327 0.171 20 0 BCADHN CC[C@H](C)N(C)CC1(O)CCS(=O)(=O)CC1 ZINC000336680442 171304754 /nfs/dbraw/zinc/30/47/54/171304754.db2.gz QELXKPSYPLRKFI-JTQLQIEISA-N 0 3 249.376 0.656 20 0 BCADHN CC[C@H](C)N(CCO)CC(=O)NC(C)(C)C ZINC000309345692 171313189 /nfs/dbraw/zinc/31/31/89/171313189.db2.gz WKMOHDPMJFDTTH-JTQLQIEISA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@H](C)N1CCN([C@@H](C)C(N)=O)CC1 ZINC000061679510 171319331 /nfs/dbraw/zinc/31/93/31/171319331.db2.gz NGNSGELRJZTINS-UWVGGRQHSA-N 0 3 213.325 0.276 20 0 BCADHN CC[C@H](C)N1CCN(CC(=O)NC)CC1 ZINC000337335343 171319370 /nfs/dbraw/zinc/31/93/70/171319370.db2.gz LTKHASQFBRRTFQ-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN CC[C@H](C)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000307683100 171319614 /nfs/dbraw/zinc/31/96/14/171319614.db2.gz GPQMWATXVSFJJQ-JGVFFNPUSA-N 0 3 206.311 0.148 20 0 BCADHN CC[C@@H](N)C(=O)NCCC(=O)N[C@@H](C)CC ZINC000038014988 171322725 /nfs/dbraw/zinc/32/27/25/171322725.db2.gz AWKTUVFBKSULMC-DTWKUNHWSA-N 0 3 229.324 0.145 20 0 BCADHN CC[C@H](C)NC(=O)CN1CCCC[C@@H](CO)C1 ZINC000374038418 171324965 /nfs/dbraw/zinc/32/49/65/171324965.db2.gz AUBYOUMNIUDJGH-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N1CC[C@@H](CO)C1 ZINC000225978902 171331167 /nfs/dbraw/zinc/33/11/67/171331167.db2.gz ANIJKLRNUJRZOJ-HBNTYKKESA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](N)CCC(=O)OC ZINC000336725297 171333120 /nfs/dbraw/zinc/33/31/20/171333120.db2.gz BLCRDYMPUUJHNS-YUMQZZPRSA-N 0 3 216.281 0.182 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)COC ZINC000026514425 171334338 /nfs/dbraw/zinc/33/43/38/171334338.db2.gz ZSEGDVFDJNCNEN-GUBZILKMSA-N 0 3 216.325 0.914 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N[C@H]1CCOC1 ZINC000251670155 171334779 /nfs/dbraw/zinc/33/47/79/171334779.db2.gz CKOCVNUTFMWQFE-GUBZILKMSA-N 0 3 214.309 0.668 20 0 BCADHN CC[C@H](C)[C@@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000352990919 171363606 /nfs/dbraw/zinc/36/36/06/171363606.db2.gz OQIGKIOBBRYPJY-YIZRAAEISA-N 0 3 235.349 0.970 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(C)C[C@@H]1CCCO1 ZINC000042465811 171369430 /nfs/dbraw/zinc/36/94/30/171369430.db2.gz GREWMQCSEMONAI-GARJFASQSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(C)C[C@@H](C)C(=O)NC ZINC000226381889 171369515 /nfs/dbraw/zinc/36/95/15/171369515.db2.gz KXGSNFFNHDDYPB-IVZWLZJFSA-N 0 3 243.351 0.200 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@H](C)C1 ZINC000036998921 171369572 /nfs/dbraw/zinc/36/95/72/171369572.db2.gz AWTYMFXBHLHMSY-IVZWLZJFSA-N 0 3 214.309 0.607 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(C2CC2)CC1 ZINC000037827008 171369718 /nfs/dbraw/zinc/36/97/18/171369718.db2.gz ZJXJNZIIODZNPF-CMPLNLGQSA-N 0 3 239.363 0.666 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCNC(=O)C[C@H]1C ZINC000365009778 171370090 /nfs/dbraw/zinc/37/00/90/171370090.db2.gz MPAVQQOIUTWTLJ-IQJOONFLSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(CC)CC1 ZINC000019487554 171370156 /nfs/dbraw/zinc/37/01/56/171370156.db2.gz SROXFXQRPDNYOJ-WDEREUQCSA-N 0 3 227.352 0.524 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCNC(=O)C1CC1 ZINC000122475321 171370515 /nfs/dbraw/zinc/37/05/15/171370515.db2.gz QYRICAZXGPKWKB-WCBMZHEXSA-N 0 3 241.335 0.002 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCC(C)(C)C(=O)NC ZINC000182663189 171370986 /nfs/dbraw/zinc/37/09/86/171370986.db2.gz ZECIIWMAYSKCDI-DTWKUNHWSA-N 0 3 243.351 0.248 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCn1cccn1 ZINC000042542374 171371324 /nfs/dbraw/zinc/37/13/24/171371324.db2.gz QWKAIDXQSGFAFM-VHSXEESVSA-N 0 3 224.308 0.373 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCc1cnn(C)c1 ZINC000128103377 171371757 /nfs/dbraw/zinc/37/17/57/171371757.db2.gz DCSGRBFZFPGHFU-GXSJLCMTSA-N 0 3 238.335 0.452 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)C(=O)OC ZINC000157357036 171371794 /nfs/dbraw/zinc/37/17/94/171371794.db2.gz FCQQYMLKPAVCGT-XLPZGREQSA-N 0 3 216.281 0.038 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)[C@H](CN)OC ZINC000300378510 171387099 /nfs/dbraw/zinc/38/70/99/171387099.db2.gz UZWUJUNFWYPTJQ-CIUDSAMLSA-N 0 3 202.298 0.511 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCc2cncnc2C1 ZINC000353668818 171393822 /nfs/dbraw/zinc/39/38/22/171393822.db2.gz QCAKLXBNXYNWSL-CABZTGNLSA-N 0 3 248.330 0.735 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC(C)(C)C ZINC000035661189 171394485 /nfs/dbraw/zinc/39/44/85/171394485.db2.gz KXXZRDCQFHRPLI-WPRPVWTQSA-N 0 3 243.351 0.391 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(=O)[nH]c1 ZINC000083364875 171394938 /nfs/dbraw/zinc/39/49/38/171394938.db2.gz PFXDIUKJZPQPGC-KWQFWETISA-N 0 3 237.303 0.365 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)c1ncon1 ZINC000125486819 171395263 /nfs/dbraw/zinc/39/52/63/171395263.db2.gz QBBVACLGYDHFIX-FXQIFTODSA-N 0 3 226.280 0.620 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1nccn1C ZINC000070854718 171395662 /nfs/dbraw/zinc/39/56/62/171395662.db2.gz NBMIYEAWKCJFRS-WPRPVWTQSA-N 0 3 224.308 0.410 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCn1ccnc1 ZINC000041051011 171396023 /nfs/dbraw/zinc/39/60/23/171396023.db2.gz GSJVCWRYWKUQSV-UWVGGRQHSA-N 0 3 224.308 0.373 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCCCNC1=O ZINC000040462873 171396741 /nfs/dbraw/zinc/39/67/41/171396741.db2.gz SRUXSSHRBQXYTJ-GUBZILKMSA-N 0 3 241.335 0.145 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)C(N)C(F)(F)F ZINC000352970519 171402037 /nfs/dbraw/zinc/40/20/37/171402037.db2.gz ZZVJGLWWUKSARV-XVMARJQXSA-N 0 3 242.241 0.399 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](O)[C@@H](C)CC ZINC000246522421 171402144 /nfs/dbraw/zinc/40/21/44/171402144.db2.gz RIPCGUXQUGMDKO-ZDCRXTMVSA-N 0 3 230.352 0.883 20 0 BCADHN CN(C)CCNC(=O)c1ncnc2[nH]ccc21 ZINC000665112282 412099675 /nfs/dbraw/zinc/09/96/75/412099675.db2.gz SLDPOPPMMFCNCI-UHFFFAOYSA-N 0 3 233.275 0.201 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)N1CC[C@@H](F)[C@H](N)C1 ZINC000662320612 412100563 /nfs/dbraw/zinc/10/05/63/412100563.db2.gz CAXBLFNDGUKDJL-LMLFDSFASA-N 0 3 245.342 0.661 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N1CC[C@@H](F)[C@H](N)C1 ZINC000662320614 412101141 /nfs/dbraw/zinc/10/11/41/412101141.db2.gz CAXBLFNDGUKDJL-LNFKQOIKSA-N 0 3 245.342 0.661 20 0 BCADHN CC(C)OCCN1CC[C@@H](F)[C@H](N)C1 ZINC000662323547 412101437 /nfs/dbraw/zinc/10/14/37/412101437.db2.gz XXUYJQQOEVLAMF-NXEZZACHSA-N 0 3 204.289 0.783 20 0 BCADHN N[C@@H]1CN(Cc2ccccn2)CC[C@H]1F ZINC000662324893 412102215 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PQNKQGWUZOFFEU-VIFPVBQESA-N 0 3 223.276 0.322 20 0 BCADHN O=C(c1cnc2n1CCC2)N1CCCNCC1 ZINC000662396043 412145799 /nfs/dbraw/zinc/14/57/99/412145799.db2.gz OLWIUTJZVQBRIE-UHFFFAOYSA-N 0 3 234.303 0.265 20 0 BCADHN CN(C)C1(CNc2ncnc3c2CCC3)CC1 ZINC000397882347 412151955 /nfs/dbraw/zinc/15/19/55/412151955.db2.gz LCMCMONCOKHLCJ-UHFFFAOYSA-N 0 3 232.331 1.471 20 0 BCADHN O=C(Nc1cc[nH]n1)c1cn[n-]c1[C@H]1CC[NH2+]C1 ZINC000662408411 412152704 /nfs/dbraw/zinc/15/27/04/412152704.db2.gz RLPQUVTVIXCPMG-ZETCQYMHSA-N 0 3 246.274 0.462 20 0 BCADHN CC[C@H](NC)C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000662410267 412154403 /nfs/dbraw/zinc/15/44/03/412154403.db2.gz XMUJRGZQYTZNGB-BDAKNGLRSA-N 0 3 243.351 0.404 20 0 BCADHN CN(C)C1(CNc2nnc(C3CC3)o2)CC1 ZINC000419012305 412154955 /nfs/dbraw/zinc/15/49/55/412154955.db2.gz VUPHOXIGTMNROC-UHFFFAOYSA-N 0 3 222.292 1.453 20 0 BCADHN C[C@@H]1C[C@H](Nc2cc(C#N)cnn2)CCN1C ZINC000396919215 412160891 /nfs/dbraw/zinc/16/08/91/412160891.db2.gz XEYBHEMKKWWZBP-MWLCHTKSSA-N 0 3 231.303 1.243 20 0 BCADHN C[C@@H]1C[C@H](Nc2cccnn2)CN1C1CC1 ZINC000381312515 412160913 /nfs/dbraw/zinc/16/09/13/412160913.db2.gz MAFGSUHPWCYYDF-ZJUUUORDSA-N 0 3 218.304 1.514 20 0 BCADHN CN(C)CCNC(=O)Nc1cc2ccccn2n1 ZINC000558464763 412162539 /nfs/dbraw/zinc/16/25/39/412162539.db2.gz SUCJYIGQPAXCMI-UHFFFAOYSA-N 0 3 247.302 1.017 20 0 BCADHN CN(C)CCNc1cccc(-n2ccnc2)n1 ZINC000362314422 412162597 /nfs/dbraw/zinc/16/25/97/412162597.db2.gz BSROECRONKTOJO-UHFFFAOYSA-N 0 3 231.303 1.241 20 0 BCADHN C[C@@H]1[C@H](NC(=O)Nc2cccnn2)CCCN1C ZINC000345276285 412168101 /nfs/dbraw/zinc/16/81/01/412168101.db2.gz UUXODRBONZKBMS-NXEZZACHSA-N 0 3 249.318 1.081 20 0 BCADHN CC[C@H](NC)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000662434163 412171409 /nfs/dbraw/zinc/17/14/09/412171409.db2.gz JSZKWSHUQDGJEM-JTQLQIEISA-N 0 3 235.287 0.722 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCc2nccnc2C1 ZINC000662734659 412288429 /nfs/dbraw/zinc/28/84/29/412288429.db2.gz RWLOTJSAAUIQCH-LLVKDONJSA-N 0 3 246.314 0.359 20 0 BCADHN NC1(C(=O)NCCn2ccnc2)CC2(CCC2)C1 ZINC000662663051 412262057 /nfs/dbraw/zinc/26/20/57/412262057.db2.gz DLRKLKSCBSZWAR-UHFFFAOYSA-N 0 3 248.330 0.661 20 0 BCADHN NC(C(=O)NCCc1ccoc1)C(F)(F)F ZINC000662664176 412262736 /nfs/dbraw/zinc/26/27/36/412262736.db2.gz SQJOFVQQSUZAEC-SSDOTTSWSA-N 0 3 236.193 0.828 20 0 BCADHN CC[C@H](N)C(=O)NC[C@]1(C)CC1(F)F ZINC000662665408 412263253 /nfs/dbraw/zinc/26/32/53/412263253.db2.gz IZWZAIVGAYIEHN-XPUUQOCRSA-N 0 3 206.236 0.885 20 0 BCADHN CC[C@H](O)CNCc1ccc(C(=O)NC)cc1 ZINC000124364487 171574890 /nfs/dbraw/zinc/57/48/90/171574890.db2.gz GZRQCRHBGMNZTK-LBPRGKRZSA-N 0 3 236.315 0.907 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2ncccc2N)C1 ZINC000132767226 412267511 /nfs/dbraw/zinc/26/75/11/412267511.db2.gz CQEJMHRXVMQVCC-SNVBAGLBSA-N 0 3 248.330 0.830 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000662689405 412272136 /nfs/dbraw/zinc/27/21/36/412272136.db2.gz GIGGCANBWOSFHX-NGZCFLSTSA-N 0 3 212.293 0.219 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000662696777 412274651 /nfs/dbraw/zinc/27/46/51/412274651.db2.gz UWOWPWQOPWPIQV-UTLUCORTSA-N 0 3 214.309 0.750 20 0 BCADHN CC[C@@H](N)C(=O)NCCc1cncc(C)n1 ZINC000662701406 412275961 /nfs/dbraw/zinc/27/59/61/412275961.db2.gz ZBXOCVJEPACNKB-SNVBAGLBSA-N 0 3 222.292 0.181 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662709724 412278273 /nfs/dbraw/zinc/27/82/73/412278273.db2.gz DWIAJVHHTZEECD-AEJSXWLSSA-N 0 3 212.293 0.219 20 0 BCADHN N[C@H](C(=O)N1CC[C@@H]2COC[C@H]2C1)C1CCC1 ZINC000662711078 412279793 /nfs/dbraw/zinc/27/97/93/412279793.db2.gz LSFIIGHDXKJSOB-UTUOFQBUSA-N 0 3 238.331 0.609 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)Cc1c[nH]cn1 ZINC000662584534 412228879 /nfs/dbraw/zinc/22/88/79/412228879.db2.gz CMDXHGSYYYPWMX-WPRPVWTQSA-N 0 3 224.308 0.742 20 0 BCADHN CC(C)OC[C@H](N)C(=O)N(C)Cc1cnc[nH]1 ZINC000662584749 412231230 /nfs/dbraw/zinc/23/12/30/412231230.db2.gz FQQGYJYISJCUBE-JTQLQIEISA-N 0 3 240.307 0.120 20 0 BCADHN CC(C)(C)N1CC[C@H]1CNC(=O)NCCCO ZINC000665368397 412289657 /nfs/dbraw/zinc/28/96/57/412289657.db2.gz PTQQPGDGVZKXEG-JTQLQIEISA-N 0 3 243.351 0.541 20 0 BCADHN CO[C@H](C)[C@H](C)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665291567 412237753 /nfs/dbraw/zinc/23/77/53/412237753.db2.gz FWYJTOQRNQYORJ-JGVFFNPUSA-N 0 3 240.307 0.154 20 0 BCADHN C[C@H](Nc1nccn(C)c1=O)C1=CCN(C)CC1 ZINC000621288763 412239115 /nfs/dbraw/zinc/23/91/15/412239115.db2.gz IDSAWQMWVQODMJ-JTQLQIEISA-N 0 3 248.330 0.843 20 0 BCADHN COc1ccc(CN(C)C(=O)C(C)(C)N)cn1 ZINC000662619976 412245117 /nfs/dbraw/zinc/24/51/17/412245117.db2.gz RYQURYDTJUIAEO-UHFFFAOYSA-N 0 3 237.303 0.786 20 0 BCADHN CN1CC=C(CNc2cc(C#N)cnn2)CC1 ZINC000397002104 412245201 /nfs/dbraw/zinc/24/52/01/412245201.db2.gz UNMSSMMQONQABO-UHFFFAOYSA-N 0 3 229.287 1.022 20 0 BCADHN CC[C@H]1CN(C(=O)CN)[C@@H](CC)CN1C(C)=O ZINC000336330064 171650580 /nfs/dbraw/zinc/65/05/80/171650580.db2.gz KHZVHAHGQONKRJ-QWRGUYRKSA-N 0 3 241.335 0.193 20 0 BCADHN CN1CCC[C@@H]1CNc1cc(C#N)cnn1 ZINC000396946957 412252205 /nfs/dbraw/zinc/25/22/05/412252205.db2.gz YCOPVZCKXQYHCI-SNVBAGLBSA-N 0 3 217.276 0.854 20 0 BCADHN CC[C@H](NC)C(=O)Nc1ccn(CC)n1 ZINC000662642330 412253808 /nfs/dbraw/zinc/25/38/08/412253808.db2.gz ZAEBBAXDGCTPOH-QMMMGPOBSA-N 0 3 210.281 0.840 20 0 BCADHN C[C@@H](N)C(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000663001430 412366208 /nfs/dbraw/zinc/36/62/08/412366208.db2.gz UQSUOIVYESFACV-NYNCVSEMSA-N 0 3 236.262 0.605 20 0 BCADHN CN[C@@H](C)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000662803285 412306887 /nfs/dbraw/zinc/30/68/87/412306887.db2.gz HEHYONJCOSGZFT-AEJSXWLSSA-N 0 3 214.309 0.214 20 0 BCADHN Cc1nnc([N-]C(=O)[C@H]2[NH2+]CCC2(C)C)n1C ZINC000662809190 412307536 /nfs/dbraw/zinc/30/75/36/412307536.db2.gz ZLCAGJIMBVGEEQ-MRVPVSSYSA-N 0 3 237.307 0.450 20 0 BCADHN CN[C@@H](C)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000662822269 412307693 /nfs/dbraw/zinc/30/76/93/412307693.db2.gz LULOYNJYBAFFKT-HLTSFMKQSA-N 0 3 214.309 0.667 20 0 BCADHN Cc1nnc(NC(=O)C2(NC3CC3)CCC2)n1C ZINC000662806588 412307821 /nfs/dbraw/zinc/30/78/21/412307821.db2.gz DTUYPPHDKZDFCE-UHFFFAOYSA-N 0 3 249.318 0.737 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ncccc2N)CCN1C ZINC000132825511 412310604 /nfs/dbraw/zinc/31/06/04/412310604.db2.gz XHNFXXUALJDRMQ-ZJUUUORDSA-N 0 3 248.330 0.876 20 0 BCADHN CC(C)(N)C(=O)N[C@@H](CO)C1CCC1 ZINC000662848746 412315395 /nfs/dbraw/zinc/31/53/95/412315395.db2.gz GVADQBPBWTYDLV-QMMMGPOBSA-N 0 3 200.282 0.001 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@@H](OC)CC1 ZINC000662834393 412315806 /nfs/dbraw/zinc/31/58/06/412315806.db2.gz GKJHRCSTUZKGNM-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN Cc1c(CN)c(NC(=O)c2ccccn2)nn1C ZINC000662837397 412316637 /nfs/dbraw/zinc/31/66/37/412316637.db2.gz QQEPQAXZMWAEJY-UHFFFAOYSA-N 0 3 245.286 0.835 20 0 BCADHN NCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000662836785 412316853 /nfs/dbraw/zinc/31/68/53/412316853.db2.gz DIAVDCPMSHNMSX-ZJUUUORDSA-N 0 3 211.309 0.078 20 0 BCADHN CC(C)NCC(=O)NCCOCCF ZINC000663002182 412366558 /nfs/dbraw/zinc/36/65/58/412366558.db2.gz CNUHMLYJLBKXJK-UHFFFAOYSA-N 0 3 206.261 0.087 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)[C@@H](N)C(C)(C)C ZINC000662838323 412317100 /nfs/dbraw/zinc/31/71/00/412317100.db2.gz GNSNVLJTFVHNPD-SECBINFHSA-N 0 3 224.308 0.742 20 0 BCADHN CN(Cc1cnc[nH]1)C(=O)[C@@H](N)C(C)(C)C ZINC000662838323 412317102 /nfs/dbraw/zinc/31/71/02/412317102.db2.gz GNSNVLJTFVHNPD-SECBINFHSA-N 0 3 224.308 0.742 20 0 BCADHN O=C(CNC1CC1)Nc1cc(C(F)(F)F)n[nH]1 ZINC000571081530 412317510 /nfs/dbraw/zinc/31/75/10/412317510.db2.gz FVOMYUHKCVTDMU-UHFFFAOYSA-N 0 3 248.208 1.119 20 0 BCADHN NC1(C(=O)N[C@H](CO)C2CCC2)CCCCC1 ZINC000662850726 412321738 /nfs/dbraw/zinc/32/17/38/412321738.db2.gz VHMSLJOVVBUPPS-LLVKDONJSA-N 0 3 240.347 0.925 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H](CO)C1CCC1 ZINC000662850789 412321800 /nfs/dbraw/zinc/32/18/00/412321800.db2.gz WHUWKWWODWQEGA-NXEZZACHSA-N 0 3 214.309 0.247 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H](CO)C1CCC1 ZINC000662849008 412321893 /nfs/dbraw/zinc/32/18/93/412321893.db2.gz JHZTYABDKWYGMF-CMPLNLGQSA-N 0 3 228.336 0.781 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@@H](CO)C1CCC1 ZINC000662851483 412323129 /nfs/dbraw/zinc/32/31/29/412323129.db2.gz AUWMVLZHKNPGDN-VHSXEESVSA-N 0 3 226.320 0.262 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@H](CO)C1CCC1 ZINC000662851481 412323417 /nfs/dbraw/zinc/32/34/17/412323417.db2.gz AUWMVLZHKNPGDN-NXEZZACHSA-N 0 3 226.320 0.262 20 0 BCADHN CCn1nccc1CNC(=O)C(C)(C)N ZINC000663000603 412366827 /nfs/dbraw/zinc/36/68/27/412366827.db2.gz KSGQMMRRKGTZOC-UHFFFAOYSA-N 0 3 210.281 0.257 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NC/C=C\CO)C1 ZINC000662859427 412328068 /nfs/dbraw/zinc/32/80/68/412328068.db2.gz MLSJIVOQANDJFM-JAFKPYBISA-N 0 3 212.293 0.039 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NC/C=C/CO)C1 ZINC000662859429 412328136 /nfs/dbraw/zinc/32/81/36/412328136.db2.gz MLSJIVOQANDJFM-NBYFHADBSA-N 0 3 212.293 0.039 20 0 BCADHN C[C@H]1CN(C(=O)CN)C[C@](C)(C(F)F)O1 ZINC000663001843 412367027 /nfs/dbraw/zinc/36/70/27/412367027.db2.gz YSJXDTSRUGITTH-IMTBSYHQSA-N 0 3 222.235 0.216 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)C[C@H]1COCCO1 ZINC000662872858 412331086 /nfs/dbraw/zinc/33/10/86/412331086.db2.gz DSBQYVKHFIHKRR-VWYCJHECSA-N 0 3 244.335 0.234 20 0 BCADHN C[C@@]12COC[C@H]1CN(C(=O)[C@H]1CCCCN1)C2 ZINC000662880359 412334692 /nfs/dbraw/zinc/33/46/92/412334692.db2.gz KGCUIZPRFZKBFZ-NQBHXWOUSA-N 0 3 238.331 0.623 20 0 BCADHN CN[C@@H](C)C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000663001698 412367178 /nfs/dbraw/zinc/36/71/78/412367178.db2.gz IBJUUFGTQLQYRA-OIBJUYFYSA-N 0 3 236.262 0.477 20 0 BCADHN Cc1cncc(CCNC(=O)[C@@H]2CCCCN2)n1 ZINC000662889748 412337442 /nfs/dbraw/zinc/33/74/42/412337442.db2.gz JOCWAJKETHHSBM-LBPRGKRZSA-N 0 3 248.330 0.586 20 0 BCADHN NCC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000662890074 412337497 /nfs/dbraw/zinc/33/74/97/412337497.db2.gz OYJOBFYBJXAURL-QWRGUYRKSA-N 0 3 226.320 0.753 20 0 BCADHN CC(F)(F)CNC(=O)[C@@H]1CCCCN1 ZINC000662897069 412338614 /nfs/dbraw/zinc/33/86/14/412338614.db2.gz CDPYQEJGNFORTO-ZETCQYMHSA-N 0 3 206.236 0.900 20 0 BCADHN CC[C@H](N)C(=O)N(C)c1ccc(OC)nc1 ZINC000662899113 412339494 /nfs/dbraw/zinc/33/94/94/412339494.db2.gz BLAOTTJKYGCUEN-VIFPVBQESA-N 0 3 223.276 0.790 20 0 BCADHN COC(=O)c1cc(NC[C@@H](C)N(C)C)ncn1 ZINC000603273123 412339688 /nfs/dbraw/zinc/33/96/88/412339688.db2.gz WQBYFAMEOOIFJH-MRVPVSSYSA-N 0 3 238.291 0.625 20 0 BCADHN Cc1cc(NC(=O)C2CCN(C)CC2)nn1C ZINC000335773554 412339766 /nfs/dbraw/zinc/33/97/66/412339766.db2.gz IPAMUASHDGYJCA-UHFFFAOYSA-N 0 3 236.319 1.009 20 0 BCADHN O=C([C@@H]1CCCCN1)N1CC[C@@H]2C[C@@H]2C1 ZINC000662913533 412341061 /nfs/dbraw/zinc/34/10/61/412341061.db2.gz MEGGYEUTIXZKNO-MXWKQRLJSA-N 0 3 208.305 0.997 20 0 BCADHN CCCCc1cc(NC(=O)[C@@H]2C[C@@H]2N)n[nH]1 ZINC000576581392 412346023 /nfs/dbraw/zinc/34/60/23/412346023.db2.gz TVMBTSGLWDSDSR-BDAKNGLRSA-N 0 3 222.292 1.038 20 0 BCADHN NC1(C(=O)N2CCc3nccnc3C2)CCCC1 ZINC000662929805 412348123 /nfs/dbraw/zinc/34/81/23/412348123.db2.gz HEVQXGUXWSATNX-UHFFFAOYSA-N 0 3 246.314 0.633 20 0 BCADHN C[C@@H](NC(=O)C1(N)CCC1)c1nccn1C ZINC000662935347 412349444 /nfs/dbraw/zinc/34/94/44/412349444.db2.gz UTCDCZQOTDDFFY-MRVPVSSYSA-N 0 3 222.292 0.479 20 0 BCADHN CCn1cnc(C(=O)NCCN2CCCC2)c1 ZINC000665531550 412349456 /nfs/dbraw/zinc/34/94/56/412349456.db2.gz DSPXHLSMAUTBDG-UHFFFAOYSA-N 0 3 236.319 0.729 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662944383 412350942 /nfs/dbraw/zinc/35/09/42/412350942.db2.gz MKMBGIUCHRVILT-IWSPIJDZSA-N 0 3 231.315 0.258 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662955835 412353824 /nfs/dbraw/zinc/35/38/24/412353824.db2.gz VIXZGSMXDARLDP-BQBZGAKWSA-N 0 3 240.225 0.513 20 0 BCADHN Cc1nc(C(=O)NC[C@H](C)N(C)C)co1 ZINC000665551199 412360488 /nfs/dbraw/zinc/36/04/88/412360488.db2.gz KUBWFKWZHQBYEH-ZETCQYMHSA-N 0 3 211.265 0.663 20 0 BCADHN O=C(Nc1cccnn1)C1CCN(C2CC2)CC1 ZINC000362412017 412362762 /nfs/dbraw/zinc/36/27/62/412362762.db2.gz QYXQAZYMGIYJJL-UHFFFAOYSA-N 0 3 246.314 1.290 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccnc2cc(C)nn21 ZINC000662989265 412363920 /nfs/dbraw/zinc/36/39/20/412363920.db2.gz DQAOJIIPZMBDDT-MRVPVSSYSA-N 0 3 233.275 0.714 20 0 BCADHN CNCC(=O)Nc1ccnc2cc(C)nn21 ZINC000662989268 412363965 /nfs/dbraw/zinc/36/39/65/412363965.db2.gz DURBRXWCNPDLSV-UHFFFAOYSA-N 0 3 219.248 0.196 20 0 BCADHN C[C@@]1(C(F)F)CN(C(=O)CNC2CC2)CCO1 ZINC000663006973 412368171 /nfs/dbraw/zinc/36/81/71/412368171.db2.gz CDOXJYVVJGXBOQ-NSHDSACASA-N 0 3 248.273 0.621 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000663006867 412368190 /nfs/dbraw/zinc/36/81/90/412368190.db2.gz AOSQJVZBDIULJA-XVKPBYJWSA-N 0 3 236.262 0.606 20 0 BCADHN NC1(C(=O)NCCOCCF)CCCCC1 ZINC000663005664 412368200 /nfs/dbraw/zinc/36/82/00/412368200.db2.gz XHMKJUVSBQWYIT-UHFFFAOYSA-N 0 3 232.299 0.750 20 0 BCADHN COCCN(C)CCNc1nc(C)ncc1C ZINC000565223044 412364989 /nfs/dbraw/zinc/36/49/89/412364989.db2.gz SHEHVGKIOZBEMC-UHFFFAOYSA-N 0 3 238.335 1.084 20 0 BCADHN C[C@]1(C(F)F)CN(C(=O)C2(N)CCC2)CCO1 ZINC000663001773 412365109 /nfs/dbraw/zinc/36/51/09/412365109.db2.gz KBUMBGPVWZKQDZ-SNVBAGLBSA-N 0 3 248.273 0.750 20 0 BCADHN N[C@@H]1CN(C(=O)c2ccon2)CC[C@H]1F ZINC000662747880 412289891 /nfs/dbraw/zinc/28/98/91/412289891.db2.gz FMXRIKRFYOZRLB-RNFRBKRXSA-N 0 3 213.212 0.186 20 0 BCADHN C[C@@H](N)C(=O)N1CC(C)(C)[C@@H]1c1cnn(C)c1 ZINC000662758196 412292525 /nfs/dbraw/zinc/29/25/25/412292525.db2.gz QGYFRBSSSFXWOG-SCZZXKLOSA-N 0 3 236.319 0.677 20 0 BCADHN Cn1ncc2c1CCCN(C(=O)CNC1CC1)C2 ZINC000662759943 412292931 /nfs/dbraw/zinc/29/29/31/412292931.db2.gz CQOHUVQCPHMWAH-UHFFFAOYSA-N 0 3 248.330 0.447 20 0 BCADHN C[C@@H](N)C(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC000662761261 412293848 /nfs/dbraw/zinc/29/38/48/412293848.db2.gz OGKFAVOIJJUYDC-BDAKNGLRSA-N 0 3 236.319 0.677 20 0 BCADHN CC(C)N(C)C[C@@H](C)Nc1ccc(=O)n(C)n1 ZINC000413296101 412294853 /nfs/dbraw/zinc/29/48/53/412294853.db2.gz FFJBYWINYNERIP-SNVBAGLBSA-N 0 3 238.335 0.921 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccn(CCOC)n1 ZINC000516980073 412295941 /nfs/dbraw/zinc/29/59/41/412295941.db2.gz SDPJWRTUSOSGEA-QMMMGPOBSA-N 0 3 226.280 0.076 20 0 BCADHN CN[C@@H](C)C(=O)Nc1n[nH]c2cccc(F)c21 ZINC000563735131 412296187 /nfs/dbraw/zinc/29/61/87/412296187.db2.gz VHULMUSAVJJHSD-LURJTMIESA-N 0 3 236.250 1.248 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cnc3n2CCC3)[C@H]1C ZINC000662772396 412297936 /nfs/dbraw/zinc/29/79/36/412297936.db2.gz DVZMAYGCYMAGTM-UWVGGRQHSA-N 0 3 248.330 0.652 20 0 BCADHN CC[C@H](NC)C(=O)N1CC[C@H](C)C[C@H]1C(N)=O ZINC000662792332 412303997 /nfs/dbraw/zinc/30/39/97/412303997.db2.gz NBVDUNPTPKILGX-GUBZILKMSA-N 0 3 241.335 0.097 20 0 BCADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C[NH2+]C(C)C ZINC000662792095 412304162 /nfs/dbraw/zinc/30/41/62/412304162.db2.gz YWPXLHJSMPSDJN-UHFFFAOYSA-N 0 3 240.263 0.133 20 0 BCADHN Cn1ncc2c1CC(C)(C)CN(C(=O)CN)C2 ZINC000663019098 412372471 /nfs/dbraw/zinc/37/24/71/412372471.db2.gz HCORHOJKFXVFLV-UHFFFAOYSA-N 0 3 236.319 0.290 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CC2CC1(C)C2 ZINC000663017857 412372760 /nfs/dbraw/zinc/37/27/60/412372760.db2.gz RVQRJOXHGYGDEB-NBBOBHDQSA-N 0 3 208.305 0.995 20 0 BCADHN CC1(C)CN(C(=O)C2(N)CC2)[C@H]1[C@@H]1CCCO1 ZINC000663023478 412373351 /nfs/dbraw/zinc/37/33/51/412373351.db2.gz XEUJCDALJYGEHE-UWVGGRQHSA-N 0 3 238.331 0.894 20 0 BCADHN CC(C)(C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000663220553 412394675 /nfs/dbraw/zinc/39/46/75/412394675.db2.gz IKCNVGYXJSZFLQ-HTQZYQBOSA-N 0 3 217.288 0.866 20 0 BCADHN CC(C)CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000663220578 412394936 /nfs/dbraw/zinc/39/49/36/412394936.db2.gz IQJMHQHNOFJSTD-RKDXNWHRSA-N 0 3 217.288 0.723 20 0 BCADHN Cc1cc(N2CC[C@@H](F)[C@H](N)C2)nc(C)n1 ZINC000663276036 412405492 /nfs/dbraw/zinc/40/54/92/412405492.db2.gz JHFSPVWUZZLMHI-NXEZZACHSA-N 0 3 224.283 0.969 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCC1(CO)CC1 ZINC000133099566 412409136 /nfs/dbraw/zinc/40/91/36/412409136.db2.gz UHESGEIZKOVJCO-SECBINFHSA-N 0 3 214.309 0.249 20 0 BCADHN CCc1ccccc1CN1C[C@H](O)[C@@H](O)C1 ZINC000278574056 171881473 /nfs/dbraw/zinc/88/14/73/171881473.db2.gz CFOJLGJOHURUEA-STQMWFEESA-N 0 3 221.300 0.786 20 0 BCADHN CCc1nc(CCNC(=O)CN)cs1 ZINC000166664148 171968757 /nfs/dbraw/zinc/96/87/57/171968757.db2.gz XJTGKGBCDYFSIC-UHFFFAOYSA-N 0 3 213.306 0.323 20 0 BCADHN CCc1nnc([C@H](C)N[C@@H]2CN(C)C[C@@H]2C)[nH]1 ZINC000329135766 172007464 /nfs/dbraw/zinc/00/74/64/172007464.db2.gz CJZQYDGYVGVRQD-LPEHRKFASA-N 0 3 237.351 0.968 20 0 BCADHN CCc1nnc([C@H](C)N[C@H]2CN(C)C[C@H]2C)[nH]1 ZINC000329135767 172007885 /nfs/dbraw/zinc/00/78/85/172007885.db2.gz CJZQYDGYVGVRQD-UTLUCORTSA-N 0 3 237.351 0.968 20 0 BCADHN CCc1nc2n(n1)C[C@@H](NC1COC1)CC2 ZINC000367908394 172015545 /nfs/dbraw/zinc/01/55/45/172015545.db2.gz AWVZFXABTOKEKN-QMMMGPOBSA-N 0 3 222.292 0.144 20 0 BCADHN CCc1ncc(NC(=O)[C@@H](N)C(C)C)cn1 ZINC000237056263 172022613 /nfs/dbraw/zinc/02/26/13/172022613.db2.gz RNRKFTBNEVJLTN-JTQLQIEISA-N 0 3 222.292 0.961 20 0 BCADHN CCc1nnc(CN[C@H](C)[C@@H]2CCOC2)n1C ZINC000162854622 172054008 /nfs/dbraw/zinc/05/40/08/172054008.db2.gz IIKDOILHRKJSKB-NXEZZACHSA-N 0 3 238.335 0.892 20 0 BCADHN CCc1nnc(NC(=O)[C@@H](N)CC)s1 ZINC000132548814 172058071 /nfs/dbraw/zinc/05/80/71/172058071.db2.gz GJJIDRBPEBIKBC-YFKPBYRVSA-N 0 3 214.294 0.776 20 0 BCADHN CCc1nnc2ccc(N3CC(N(C)C)C3)nn21 ZINC000271734297 172067050 /nfs/dbraw/zinc/06/70/50/172067050.db2.gz OCIMWLOJLMMZFW-UHFFFAOYSA-N 0 3 246.318 0.437 20 0 BCADHN CCc1nocc1CNCCc1ncn(C)n1 ZINC000339295193 172099694 /nfs/dbraw/zinc/09/96/94/172099694.db2.gz IDGQYNBEUKCWLM-UHFFFAOYSA-N 0 3 235.291 0.698 20 0 BCADHN CCc1nocc1CNC[C@@]1(O)CCN(C)C1 ZINC000339350121 172099789 /nfs/dbraw/zinc/09/97/89/172099789.db2.gz XPJWXEUWXRBDMZ-LBPRGKRZSA-N 0 3 239.319 0.393 20 0 BCADHN CCc1nocc1CNC[C@]1(O)CCO[C@H]1C ZINC000339381255 172101052 /nfs/dbraw/zinc/10/10/52/172101052.db2.gz XDKDUZUWEIVVMH-JOYOIKCWSA-N 0 3 240.303 0.867 20 0 BCADHN CCn1cc(CCN[C@H]2COC[C@@H]2OC)cn1 ZINC000290175412 172159909 /nfs/dbraw/zinc/15/99/09/172159909.db2.gz 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173356849 /nfs/dbraw/zinc/35/68/49/173356849.db2.gz YUFKMUPQGOFGHQ-UHFFFAOYSA-N 0 3 248.373 0.863 20 0 BCADHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000353215345 173375633 /nfs/dbraw/zinc/37/56/33/173375633.db2.gz IEZNNDJOPUUELT-QMMMGPOBSA-N 0 3 246.332 0.722 20 0 BCADHN COC(=O)C1=C(C)O[C@H](CN(C)[C@@H](C)CO)C1 ZINC000282884131 173517101 /nfs/dbraw/zinc/51/71/01/173517101.db2.gz VNPZOUFFAKQULM-WPRPVWTQSA-N 0 3 243.303 0.535 20 0 BCADHN COC1CC(N(C)[C@@H](C)C[S@@](C)=O)C1 ZINC000362097665 174017415 /nfs/dbraw/zinc/01/74/15/174017415.db2.gz OVIVOWYFSBUIBD-LYKZJDKISA-N 0 3 219.350 0.863 20 0 BCADHN COC1CC(N(C)[C@@H](C)C[S@](C)=O)C1 ZINC000362097663 174017814 /nfs/dbraw/zinc/01/78/14/174017814.db2.gz OVIVOWYFSBUIBD-FLZDYYOUSA-N 0 3 219.350 0.863 20 0 BCADHN COC1CC(N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC000309972100 174018941 /nfs/dbraw/zinc/01/89/41/174018941.db2.gz QAGNFBDXAMTVGH-VQXHTEKXSA-N 0 3 226.320 0.763 20 0 BCADHN COC1CC(N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000309960694 174019822 /nfs/dbraw/zinc/01/98/22/174019822.db2.gz KYZMDQJKVHJCQL-YUCVTWSNSA-N 0 3 224.304 0.517 20 0 BCADHN COC1CCC(CNC(=O)C2(N)CC2)CC1 ZINC000353257992 174019997 /nfs/dbraw/zinc/01/99/97/174019997.db2.gz ZAEFRNOLIHELGA-UHFFFAOYSA-N 0 3 226.320 0.799 20 0 BCADHN COC1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000037266803 174026260 /nfs/dbraw/zinc/02/62/60/174026260.db2.gz QWXCBIJSUZKTBS-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN COC1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000037266805 174026903 /nfs/dbraw/zinc/02/69/03/174026903.db2.gz QWXCBIJSUZKTBS-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN COCC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000124719819 174038791 /nfs/dbraw/zinc/03/87/91/174038791.db2.gz NTPGFZYHGAXYSD-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN COC1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000336671340 174029861 /nfs/dbraw/zinc/02/98/61/174029861.db2.gz JOBUMJOSOKFAJL-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN COC1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000336645596 174031047 /nfs/dbraw/zinc/03/10/47/174031047.db2.gz IHGZJFDOPWBMKB-SNVBAGLBSA-N 0 3 212.293 0.328 20 0 BCADHN COC1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000334154128 174031368 /nfs/dbraw/zinc/03/13/68/174031368.db2.gz QKZRJMRGKWADQH-GFCCVEGCSA-N 0 3 238.331 0.861 20 0 BCADHN COCC(=O)N1CCCN(CC2CCC2)CC1 ZINC000339204927 174040853 /nfs/dbraw/zinc/04/08/53/174040853.db2.gz ZJGSRPSLOWFJEJ-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN COCC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346173106 174042304 /nfs/dbraw/zinc/04/23/04/174042304.db2.gz CINYCNMETGLCFP-SDDRHHMPSA-N 0 3 240.347 0.822 20 0 BCADHN COCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000336305967 174042910 /nfs/dbraw/zinc/04/29/10/174042910.db2.gz UPIZOEYUJNFWCP-SNVBAGLBSA-N 0 3 226.320 0.576 20 0 BCADHN COCC(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000375887608 174056796 /nfs/dbraw/zinc/05/67/96/174056796.db2.gz CORNMDHWWBUDFV-OLZOCXBDSA-N 0 3 248.326 0.847 20 0 BCADHN COCC(C)(C)NC(=O)[C@H](N)C(C)C ZINC000125408407 174081141 /nfs/dbraw/zinc/08/11/41/174081141.db2.gz ORBIQZDJVLBDLH-MRVPVSSYSA-N 0 3 202.298 0.511 20 0 BCADHN COCC(C)(C)NC(=O)[C@@H](N)CC(F)F ZINC000336688074 174081167 /nfs/dbraw/zinc/08/11/67/174081167.db2.gz LKPNUJOFIRZWJP-LURJTMIESA-N 0 3 224.251 0.510 20 0 BCADHN COCC(C)(C)NCC(=O)NC[C@H]1CCCO1 ZINC000342063563 174082123 /nfs/dbraw/zinc/08/21/23/174082123.db2.gz ODMNCPXSCGBHKZ-SNVBAGLBSA-N 0 3 244.335 0.296 20 0 BCADHN COCC(C)(C)NCC(=O)NC[C@@H]1CCCO1 ZINC000342063562 174082405 /nfs/dbraw/zinc/08/24/05/174082405.db2.gz ODMNCPXSCGBHKZ-JTQLQIEISA-N 0 3 244.335 0.296 20 0 BCADHN COCC1(C(=O)NC[C@@H](C)N(C)C)CCC1 ZINC000339832029 174086694 /nfs/dbraw/zinc/08/66/94/174086694.db2.gz WLFNZCPNUCQRAR-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN COCC1(C)CN(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000358518222 174093249 /nfs/dbraw/zinc/09/32/49/174093249.db2.gz DERHXTGVAYVBCK-JTQLQIEISA-N 0 3 243.351 0.614 20 0 BCADHN COCC1(CNC2COC2)CCOCC1 ZINC000368652847 174103141 /nfs/dbraw/zinc/10/31/41/174103141.db2.gz NSVRAJQLJBPMDU-UHFFFAOYSA-N 0 3 215.293 0.418 20 0 BCADHN COCC1(NC(=O)N[C@@H](C)CN(C)C)CCC1 ZINC000358531421 174108416 /nfs/dbraw/zinc/10/84/16/174108416.db2.gz SNRPGYRXCBVIQI-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN COCCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000062568560 174126544 /nfs/dbraw/zinc/12/65/44/174126544.db2.gz OZHANOPKWFTEPC-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN COCCC(=O)NC[C@H](N)c1ccccc1 ZINC000062837773 174130176 /nfs/dbraw/zinc/13/01/76/174130176.db2.gz MVDIZQPVWJUGML-NSHDSACASA-N 0 3 222.288 0.839 20 0 BCADHN COCCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000357404828 174133484 /nfs/dbraw/zinc/13/34/84/174133484.db2.gz ADFGMMSDWXHEHA-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN COCCCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000103945284 174163183 /nfs/dbraw/zinc/16/31/83/174163183.db2.gz UMOBYTOWZJTCGM-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN COCCCCCN1CCC[C@@H]1C(N)=O ZINC000112534501 174178516 /nfs/dbraw/zinc/17/85/16/174178516.db2.gz BOGHNAOUEHZERU-SNVBAGLBSA-N 0 3 214.309 0.753 20 0 BCADHN COCCCCCNC(=O)[C@@H](N)CC(F)F ZINC000336676035 174181355 /nfs/dbraw/zinc/18/13/55/174181355.db2.gz VLPZOUXNAFQEGF-QMMMGPOBSA-N 0 3 238.278 0.902 20 0 BCADHN COCCCCN(C)CC(=O)N1CCOCC1 ZINC000117882070 174187354 /nfs/dbraw/zinc/18/73/54/174187354.db2.gz SJFRBXZSIKZCEU-UHFFFAOYSA-N 0 3 244.335 0.204 20 0 BCADHN COCCCCN1CCCC[C@@H]1C(N)=O ZINC000117870920 174190070 /nfs/dbraw/zinc/19/00/70/174190070.db2.gz AYONFRFJSUZQRH-SNVBAGLBSA-N 0 3 214.309 0.753 20 0 BCADHN COCCCCN1CCN2C(=O)CC[C@H]2C1 ZINC000336669828 174192247 /nfs/dbraw/zinc/19/22/47/174192247.db2.gz IANFOASXHNIJGJ-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN COCCCCN1CCNC(=O)C[C@@H]1C ZINC000371204882 174192816 /nfs/dbraw/zinc/19/28/16/174192816.db2.gz LCSSFEFHCWIHAN-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN COCCCCN1CCN(CC(C)(C)O)CC1 ZINC000117878531 174192837 /nfs/dbraw/zinc/19/28/37/174192837.db2.gz RZBDRYYCOVGFPL-UHFFFAOYSA-N 0 3 244.379 0.802 20 0 BCADHN COCCCCN1C[C@@H]2[C@H](C1)OCCN2C ZINC000336673549 174193777 /nfs/dbraw/zinc/19/37/77/174193777.db2.gz KVZIUZSXCHYVDD-NEPJUHHUSA-N 0 3 228.336 0.428 20 0 BCADHN COCCCCNC(=O)[C@@H](N)C(C)C ZINC000044659821 174197738 /nfs/dbraw/zinc/19/77/38/174197738.db2.gz REVQLQFIWPVFIE-VIFPVBQESA-N 0 3 202.298 0.513 20 0 BCADHN COCCCN(C)C(=O)[C@]1(F)CCNC1 ZINC000372119235 174214372 /nfs/dbraw/zinc/21/43/72/174214372.db2.gz YGWGRFMNXYCSLI-JTQLQIEISA-N 0 3 218.272 0.183 20 0 BCADHN COCCCN(C)CCNC(=O)N[C@H](C)CF ZINC000353721439 174215396 /nfs/dbraw/zinc/21/53/96/174215396.db2.gz RFWJMSVNIVYQRR-SNVBAGLBSA-N 0 3 249.330 0.612 20 0 BCADHN COCCCN(C)CCNC(=O)COC(C)C ZINC000357330395 174217012 /nfs/dbraw/zinc/21/70/12/174217012.db2.gz OTTGLOWVWRTIFR-UHFFFAOYSA-N 0 3 246.351 0.496 20 0 BCADHN COCCCN(C)[C@@H]1CCCNC1=O ZINC000336675722 174220398 /nfs/dbraw/zinc/22/03/98/174220398.db2.gz VDGFGTLMMXKYSJ-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN COCCCN1CCN(C[C@H]2CCOC2)CC1 ZINC000336688193 174231474 /nfs/dbraw/zinc/23/14/74/174231474.db2.gz GWZHGAPZXVHGGT-CYBMUJFWSA-N 0 3 242.363 0.677 20 0 BCADHN COCCCN1CCO[C@]2(CCO[C@H]2C)C1 ZINC000375928285 174232264 /nfs/dbraw/zinc/23/22/64/174232264.db2.gz RQCRSCCZJDQRQB-NWDGAFQWSA-N 0 3 229.320 0.903 20 0 BCADHN COCCCN1CC[C@@H](n2cncn2)C1 ZINC000368409163 174232912 /nfs/dbraw/zinc/23/29/12/174232912.db2.gz BVPMJSGEFHZBKC-SNVBAGLBSA-N 0 3 210.281 0.561 20 0 BCADHN COCCCN1CCc2c(ncn2C)C1 ZINC000377556369 174233343 /nfs/dbraw/zinc/23/33/43/174233343.db2.gz HUBZVNFZUBTGLI-UHFFFAOYSA-N 0 3 209.293 0.815 20 0 BCADHN COCCCN1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000366598731 174234810 /nfs/dbraw/zinc/23/48/10/174234810.db2.gz VZWXJMCYYFVMNB-NWDGAFQWSA-N 0 3 229.320 0.903 20 0 BCADHN COCCCN1C[C@@H](OC)[C@H](OC)C1 ZINC000336680051 174235641 /nfs/dbraw/zinc/23/56/41/174235641.db2.gz GACAUHYRMWHSQH-NXEZZACHSA-N 0 3 203.282 0.369 20 0 BCADHN COCCCNC(=O)CN1C[C@H](C)C[C@H]1C ZINC000354870942 174238178 /nfs/dbraw/zinc/23/81/78/174238178.db2.gz VHQIZWWLFRKTQB-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN COCCCNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000342204918 174242164 /nfs/dbraw/zinc/24/21/64/174242164.db2.gz QKFDCPTUAKSTEY-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN COCCCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000361858667 174242400 /nfs/dbraw/zinc/24/24/00/174242400.db2.gz KALGXOCMZIFLCE-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN COCCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331813282 174242474 /nfs/dbraw/zinc/24/24/74/174242474.db2.gz XXFAFSFNBUUPMA-JTQLQIEISA-N 0 3 241.335 0.559 20 0 BCADHN COCCCOCC(=O)N[C@H](C)CN(C)C ZINC000346271916 174254091 /nfs/dbraw/zinc/25/40/91/174254091.db2.gz RDARMUKMWXFQRE-SNVBAGLBSA-N 0 3 232.324 0.106 20 0 BCADHN COCCCOCCN(C)CCC(=O)N(C)C ZINC000358734491 174254391 /nfs/dbraw/zinc/25/43/91/174254391.db2.gz DVRUFDFWHOICNB-UHFFFAOYSA-N 0 3 246.351 0.450 20 0 BCADHN COCCCn1nccc1CN[C@@H](C)CO ZINC000282593710 174267829 /nfs/dbraw/zinc/26/78/29/174267829.db2.gz HCBRKIJCOMHVRP-JTQLQIEISA-N 0 3 227.308 0.390 20 0 BCADHN COCCN(C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359237352 174270918 /nfs/dbraw/zinc/27/09/18/174270918.db2.gz PHRFMPWUAKXTJM-SNVBAGLBSA-N 0 3 241.335 0.511 20 0 BCADHN COCCN(C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000356329727 174271072 /nfs/dbraw/zinc/27/10/72/174271072.db2.gz GFXFGCXMJAJHPX-SNVBAGLBSA-N 0 3 243.351 0.757 20 0 BCADHN COCCN(C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000356329725 174271598 /nfs/dbraw/zinc/27/15/98/174271598.db2.gz GFXFGCXMJAJHPX-JTQLQIEISA-N 0 3 243.351 0.757 20 0 BCADHN COCCN(C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359237346 174271947 /nfs/dbraw/zinc/27/19/47/174271947.db2.gz PHRFMPWUAKXTJM-JTQLQIEISA-N 0 3 241.335 0.511 20 0 BCADHN COCCN(C)CCCNC(=O)C(C)C ZINC000041950827 174274653 /nfs/dbraw/zinc/27/46/53/174274653.db2.gz IJPSIOUCLCBIJW-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN COCCN(C)CCCNC(=O)[C@@H]1CCCO1 ZINC000041966847 174275866 /nfs/dbraw/zinc/27/58/66/174275866.db2.gz XBOQFFDKFVTSJY-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN COCCN(C)CCCNC(=O)C1(C)CC1 ZINC000123205424 174275929 /nfs/dbraw/zinc/27/59/29/174275929.db2.gz UUHMFBCUNXUZHT-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN COCCN(C)CCNC(=O)c1[nH]ccc1C ZINC000280670820 174277014 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BCADHN COc1ccc(CNC(CO)CO)cc1F ZINC000083692657 175105945 /nfs/dbraw/zinc/10/59/45/175105945.db2.gz WYFNZQXZJTXTSR-UHFFFAOYSA-N 0 3 229.251 0.277 20 0 BCADHN COc1ccc(CN[C@@H]2CCOC[C@@H]2C)nn1 ZINC000282397194 175110205 /nfs/dbraw/zinc/11/02/05/175110205.db2.gz DYHICSGDOCOMJR-GXSJLCMTSA-N 0 3 237.303 1.000 20 0 BCADHN COc1ccc(CN[C@]2(CO)CCOC2)cc1 ZINC000184193186 175112735 /nfs/dbraw/zinc/11/27/35/175112735.db2.gz FFMJINJEOTVSQZ-ZDUSSCGKSA-N 0 3 237.299 0.936 20 0 BCADHN COc1cccc(CN(CCO)C[C@@H](C)O)c1 ZINC000289921308 175257270 /nfs/dbraw/zinc/25/72/70/175257270.db2.gz UHMSFADIAWIGJC-LLVKDONJSA-N 0 3 239.315 0.870 20 0 BCADHN COc1cccc(CN2CC[C@@](C)(C(N)=O)C2)n1 ZINC000280353567 175259625 /nfs/dbraw/zinc/25/96/25/175259625.db2.gz TVGPCUPWCCZASZ-CYBMUJFWSA-N 0 3 249.314 0.788 20 0 BCADHN COc1cccc(CN2CC[C@@H](C(N)=O)C2)n1 ZINC000171828475 175260521 /nfs/dbraw/zinc/26/05/21/175260521.db2.gz MQUXYRSJFSYVOC-SECBINFHSA-N 0 3 235.287 0.397 20 0 BCADHN COc1cccc(CN2C[C@@H](C)[C@H](C(N)=O)C2)n1 ZINC000284800475 175260703 /nfs/dbraw/zinc/26/07/03/175260703.db2.gz JUMWPPREMQXBSN-MWLCHTKSSA-N 0 3 249.314 0.643 20 0 BCADHN COc1cccc(F)c1[C@H](C)NC(=O)CN ZINC000237287870 175274597 /nfs/dbraw/zinc/27/45/97/175274597.db2.gz MYHDYSLYFPWZED-ZETCQYMHSA-N 0 3 226.251 0.970 20 0 BCADHN COc1cccc(OCCN(C)CCO)c1 ZINC000269893194 175283402 /nfs/dbraw/zinc/28/34/02/175283402.db2.gz RQVMYQCMTHCMHB-UHFFFAOYSA-N 0 3 225.288 0.998 20 0 BCADHN COc1ccccc1OCCNC(=O)CN ZINC000041244231 175340742 /nfs/dbraw/zinc/34/07/42/175340742.db2.gz SUCMZAKAWFKYNT-UHFFFAOYSA-N 0 3 224.260 0.149 20 0 BCADHN COc1ccccc1OCCNC(=O)[C@H](C)N ZINC000041280193 175340894 /nfs/dbraw/zinc/34/08/94/175340894.db2.gz GVTIAZIKJAYPFF-VIFPVBQESA-N 0 3 238.287 0.537 20 0 BCADHN COc1ccccc1O[C@H](C)CNC(=O)CN ZINC000083365719 175342996 /nfs/dbraw/zinc/34/29/96/175342996.db2.gz ZXEAUMVEKQSACH-SECBINFHSA-N 0 3 238.287 0.537 20 0 BCADHN COc1ccncc1CN1CC[C@@](C)(C(N)=O)C1 ZINC000287975934 175369910 /nfs/dbraw/zinc/36/99/10/175369910.db2.gz ZSBUVLWBROBMAA-CYBMUJFWSA-N 0 3 249.314 0.788 20 0 BCADHN COc1cncc(CNC(C)(C)CC(N)=O)c1 ZINC000289869756 175385158 /nfs/dbraw/zinc/38/51/58/175385158.db2.gz LQIGUHCXMJKAIQ-UHFFFAOYSA-N 0 3 237.303 0.834 20 0 BCADHN COc1ncc(Cl)c(N2CC(N(C)C)C2)n1 ZINC000273324163 175399872 /nfs/dbraw/zinc/39/98/72/175399872.db2.gz PRNLCKAWPBFVOT-UHFFFAOYSA-N 0 3 242.710 0.889 20 0 BCADHN CC(C(=O)N[C@@H]1CC=CCC1)S(C)(=O)=O ZINC000172496689 175618170 /nfs/dbraw/zinc/61/81/70/175618170.db2.gz WWXDMYLIIFXFOG-DTWKUNHWSA-N 0 3 231.317 0.644 20 0 BCADHN C[C@@H](CNC(=O)C(C)(C)N)Cn1cccn1 ZINC000237521102 175721301 /nfs/dbraw/zinc/72/13/01/175721301.db2.gz UUQHKLZEQRDBSD-VIFPVBQESA-N 0 3 224.308 0.373 20 0 BCADHN C[C@@H](CNC(=O)CN)COCc1ccccc1 ZINC000237543055 175723288 /nfs/dbraw/zinc/72/32/88/175723288.db2.gz SXRFDECNFBIEFG-NSHDSACASA-N 0 3 236.315 0.914 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H]1CCCCC[C@H]1O ZINC000331896891 175764035 /nfs/dbraw/zinc/76/40/35/175764035.db2.gz QOICPVACBZIEFQ-HBNTYKKESA-N 0 3 249.376 0.703 20 0 BCADHN C[C@@H](C[S@](C)=O)NCC1=CCCOC1 ZINC000336652361 175769644 /nfs/dbraw/zinc/76/96/44/175769644.db2.gz KTMUEGPVGURJBZ-XPTSAGLGSA-N 0 3 217.334 0.690 20 0 BCADHN C[C@@H](NC(=O)NCCN(C)C)[C@@H]1CCCOC1 ZINC000357242736 175839323 /nfs/dbraw/zinc/83/93/23/175839323.db2.gz LVBCWZJDWKBLON-GHMZBOCLSA-N 0 3 243.351 0.662 20 0 BCADHN C[C@@H](NCCC(=O)NC(N)=O)c1ccccn1 ZINC000298089791 175870809 /nfs/dbraw/zinc/87/08/09/175870809.db2.gz KOSFYRTYMIIWBC-MRVPVSSYSA-N 0 3 236.275 0.317 20 0 BCADHN C[C@@H](NCCCc1cnn(C)n1)c1ccnn1C ZINC000293760473 175877758 /nfs/dbraw/zinc/87/77/58/175877758.db2.gz RFAMWBWYQPBQLT-SNVBAGLBSA-N 0 3 248.334 0.832 20 0 BCADHN C[C@@H](O)CNCc1ccc2c(c1)oc(=O)n2C ZINC000330619737 175981667 /nfs/dbraw/zinc/98/16/67/175981667.db2.gz ZPEZRSIMGUVLBB-MRVPVSSYSA-N 0 3 236.271 0.602 20 0 BCADHN C[C@@H](SCCN(C)C)C(=O)N1CCNC1=O ZINC000120205152 176008237 /nfs/dbraw/zinc/00/82/37/176008237.db2.gz BDBXZGGRVYILIH-MRVPVSSYSA-N 0 3 245.348 0.222 20 0 BCADHN C[C@@H](c1ccncc1)N(C)C(=O)COC1CNC1 ZINC000357395909 176034170 /nfs/dbraw/zinc/03/41/70/176034170.db2.gz ZHZFXOYQIZEDKS-JTQLQIEISA-N 0 3 249.314 0.589 20 0 BCADHN C[C@@H]1CC(=O)NCCN1CCCn1ccnc1 ZINC000371474311 176049028 /nfs/dbraw/zinc/04/90/28/176049028.db2.gz YOHMBORJGBUWRN-LLVKDONJSA-N 0 3 236.319 0.484 20 0 BCADHN C[C@H](CNC(=O)CN(C)C)N1CCCC[C@H]1C ZINC000340073799 176074934 /nfs/dbraw/zinc/07/49/34/176074934.db2.gz OJEDVILVKPYPCB-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN C[C@@H]1CCCN(CCN2CCCS2(=O)=O)C1 ZINC000336475858 176097471 /nfs/dbraw/zinc/09/74/71/176097471.db2.gz BMWOGFKIOODHNP-LLVKDONJSA-N 0 3 246.376 0.754 20 0 BCADHN C[C@@H]1CCC[C@@H]1NC(=O)C1(N)CCOCC1 ZINC000149723565 176128476 /nfs/dbraw/zinc/12/84/76/176128476.db2.gz OZNHKGVWTRFXRH-ZJUUUORDSA-N 0 3 226.320 0.799 20 0 BCADHN COC[C@H](OC)C(=O)NC[C@H](C)N1CCCC1 ZINC000668296951 487632801 /nfs/dbraw/zinc/63/28/01/487632801.db2.gz CBFJGNIANYFEPT-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H]1CCC[C@H](CO)N1CCn1cncn1 ZINC000336703682 176139390 /nfs/dbraw/zinc/13/93/90/176139390.db2.gz OJRKTYUAYFPMFO-GHMZBOCLSA-N 0 3 224.308 0.513 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)c1ccc[nH]c1=O ZINC000353999490 176165915 /nfs/dbraw/zinc/16/59/15/176165915.db2.gz LJBLLRFSKSCOCM-SNVBAGLBSA-N 0 3 249.314 0.953 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCOCC2)C[C@@H]1C ZINC000122532188 176166212 /nfs/dbraw/zinc/16/62/12/176166212.db2.gz SNSRMEMQKZMKBR-NEPJUHHUSA-N 0 3 240.347 0.823 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)C[C@@H]1CCOC1 ZINC000336446110 176166831 /nfs/dbraw/zinc/16/68/31/176166831.db2.gz MEDONZDZKGNMIZ-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1CCN(CCN2CCCOCC2)C[C@@H]1O ZINC000361353062 176169481 /nfs/dbraw/zinc/16/94/81/176169481.db2.gz GZSMWGJLRUQNDL-OLZOCXBDSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@@H]1CCN(CCN2CCOC[C@H]2C)C[C@H]1O ZINC000337186765 176170454 /nfs/dbraw/zinc/17/04/54/176170454.db2.gz PMYVEHKSQAKTST-JHJVBQTASA-N 0 3 242.363 0.410 20 0 BCADHN C[C@@H]1CCNC[C@H]1NS(=O)(=O)CC1CCC1 ZINC000335586573 176186007 /nfs/dbraw/zinc/18/60/07/176186007.db2.gz LWNSZWSOXVHCIO-MWLCHTKSSA-N 0 3 246.376 0.704 20 0 BCADHN C[C@@H]1CC[C@@H](C(=O)NC2CCN(C)CC2)O1 ZINC000124309632 176195811 /nfs/dbraw/zinc/19/58/11/176195811.db2.gz RXGAPGIXLNTTRL-KOLCDFICSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC(=O)NC1CC1 ZINC000123459394 176198643 /nfs/dbraw/zinc/19/86/43/176198643.db2.gz UIPCBCQLVVMXLQ-RKDXNWHRSA-N 0 3 239.319 0.847 20 0 BCADHN C[C@@H]1CC[C@@H](CN(C)[C@@]2(CO)CCOC2)O1 ZINC000355320721 176202191 /nfs/dbraw/zinc/20/21/91/176202191.db2.gz RXJALKGVZVDJHC-GRYCIOLGSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@@H]1CC[C@@H](CN(C)CCNC(=O)N(C)C)O1 ZINC000355274089 176202247 /nfs/dbraw/zinc/20/22/47/176202247.db2.gz JHVYTULIEPNBCH-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H]1CC[C@@H](N(CCO)CC(=O)N2CCC2)C1 ZINC000340206897 176207796 /nfs/dbraw/zinc/20/77/96/176207796.db2.gz QWALWRDEGCNCIW-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H]1CC[C@H](CC(=O)NC[C@@H]2CNCCO2)C1 ZINC000333345805 176221956 /nfs/dbraw/zinc/22/19/56/176221956.db2.gz ZFQICWZLHPWCOT-WOPDTQHZSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@@H]1CC[C@H](CN(C)[C@@H]2COC[C@@H]2O)O1 ZINC000352797124 176224577 /nfs/dbraw/zinc/22/45/77/176224577.db2.gz HSXVMRIUWDLPRA-DBIOUOCHSA-N 0 3 215.293 0.245 20 0 BCADHN C[C@@H]1CC[C@H](CN2CC[C@H]3C(=O)NC[C@H]3C2)O1 ZINC000368060273 176225113 /nfs/dbraw/zinc/22/51/13/176225113.db2.gz DXXHONKIIRLUJF-WRWGMCAJSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N1CCCC1 ZINC000668296975 487632954 /nfs/dbraw/zinc/63/29/54/487632954.db2.gz CUZCMISBTZNTBY-WYUUTHIRSA-N 0 3 238.331 0.479 20 0 BCADHN C[C@@H]1CN(C(=O)C2CCN(C)CC2)[C@H](C)CN1 ZINC000336519601 176243397 /nfs/dbraw/zinc/24/33/97/176243397.db2.gz LUUUHMISXXZGEF-GHMZBOCLSA-N 0 3 239.363 0.537 20 0 BCADHN C[C@@H]1CN(C(=O)CN2[C@H](C)CC[C@H]2C)C[C@H]1O ZINC000352764378 176246400 /nfs/dbraw/zinc/24/64/00/176246400.db2.gz DQHYXJJJUSMHHC-DDHJBXDOSA-N 0 3 240.347 0.698 20 0 BCADHN C[C@@H]1CN(C(=O)NC[C@H]2CNCCO2)[C@@H]1C ZINC000333519894 176251480 /nfs/dbraw/zinc/25/14/80/176251480.db2.gz KNFKGVXRXQVSER-OPRDCNLKSA-N 0 3 227.308 0.025 20 0 BCADHN C[C@@H]1CN(C(=O)Nc2ccnnc2)[C@H](C)CN1 ZINC000333355545 176252730 /nfs/dbraw/zinc/25/27/30/176252730.db2.gz RZZLAZOQGUZBPH-RKDXNWHRSA-N 0 3 235.291 0.691 20 0 BCADHN C[C@H](C(=O)N1C[C@@H](C)NC[C@H]1C)n1cccn1 ZINC000086468117 176253611 /nfs/dbraw/zinc/25/36/11/176253611.db2.gz NPNVZLOSJFXGKQ-GMTAPVOTSA-N 0 3 236.319 0.653 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CCCCN2)CCO1 ZINC000019412689 176257312 /nfs/dbraw/zinc/25/73/12/176257312.db2.gz YBIDYUPQDJTITA-NXEZZACHSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H](N)CC(F)F)CCS1 ZINC000335776964 176257324 /nfs/dbraw/zinc/25/73/24/176257324.db2.gz SPMYCHMEPNNGOB-RNFRBKRXSA-N 0 3 238.303 0.933 20 0 BCADHN C[C@@H]1CN(C(=O)C(N)C(F)(F)F)C[C@@H](C)O1 ZINC000353179956 176257642 /nfs/dbraw/zinc/25/76/42/176257642.db2.gz CJTFIDQSKQWRLT-QYNIQEEDSA-N 0 3 240.225 0.512 20 0 BCADHN C[C@@H]1CN(C)CCN1CCN1CCCC1=O ZINC000336700002 176266691 /nfs/dbraw/zinc/26/66/91/176266691.db2.gz KBEHHIRMMAYESW-LLVKDONJSA-N 0 3 225.336 0.245 20 0 BCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c[nH]cn1 ZINC000357308899 176269312 /nfs/dbraw/zinc/26/93/12/176269312.db2.gz YZKAESIFFGVFMC-KOLCDFICSA-N 0 3 236.319 0.822 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1NCc1ccnn1C ZINC000309100383 176277382 /nfs/dbraw/zinc/27/73/82/176277382.db2.gz FKXBMFVDWJZJHL-MWLCHTKSSA-N 0 3 208.309 0.460 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1NCc1nccn1C ZINC000335134968 176277394 /nfs/dbraw/zinc/27/73/94/176277394.db2.gz SRWYQGHPUQTNJQ-NXEZZACHSA-N 0 3 208.309 0.460 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1N[C@@H](CO)CC(F)(F)F ZINC000309793430 176277445 /nfs/dbraw/zinc/27/74/45/176277445.db2.gz PQXTYIVGYYZOCP-IWSPIJDZSA-N 0 3 240.269 0.839 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCCO1 ZINC000335158589 176280684 /nfs/dbraw/zinc/28/06/84/176280684.db2.gz VRUPGDBYNNNDCO-KOLCDFICSA-N 0 3 239.319 0.816 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccncn1 ZINC000275113869 176281502 /nfs/dbraw/zinc/28/15/02/176281502.db2.gz GYSYIIXUMFSKNC-SKDRFNHKSA-N 0 3 246.314 0.689 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccncn1 ZINC000275113854 176282410 /nfs/dbraw/zinc/28/24/10/176282410.db2.gz GYSYIIXUMFSKNC-BXKDBHETSA-N 0 3 246.314 0.689 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cncn1C ZINC000289915285 176282470 /nfs/dbraw/zinc/28/24/70/176282470.db2.gz VJQVNOSTFUDVLE-KOLCDFICSA-N 0 3 248.330 0.633 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1(C)COC1 ZINC000336458192 176282603 /nfs/dbraw/zinc/28/26/03/176282603.db2.gz SMNPWGZGBGVCNU-MWLCHTKSSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@H]1OCC[C@]12CN(CCCO)C[C@@H](C)O2 ZINC000369406354 176289955 /nfs/dbraw/zinc/28/99/55/176289955.db2.gz AIPCRVWOMAUPJK-UTUOFQBUSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@H](O)C2(C)C)CCO1 ZINC000361415210 176290680 /nfs/dbraw/zinc/29/06/80/176290680.db2.gz NRQXOFBHVLEXBO-NEPJUHHUSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H]1CN(CCN(C)CCCCO)CCO1 ZINC000337468545 176291626 /nfs/dbraw/zinc/29/16/26/176291626.db2.gz OBUNOHGAPNHTRL-GFCCVEGCSA-N 0 3 230.352 0.411 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC000307938843 176295631 /nfs/dbraw/zinc/29/56/31/176295631.db2.gz SIGKSGDVUSZUKM-CSMHCCOUSA-N 0 3 227.226 0.612 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC000307938845 176298755 /nfs/dbraw/zinc/29/87/55/176298755.db2.gz SIGKSGDVUSZUKM-PRJMDXOYSA-N 0 3 227.226 0.612 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC000307938842 176299107 /nfs/dbraw/zinc/29/91/07/176299107.db2.gz SIGKSGDVUSZUKM-BWZBUEFSSA-N 0 3 227.226 0.612 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCCOC2)C[C@@H](CO)O1 ZINC000336663463 176300322 /nfs/dbraw/zinc/30/03/22/176300322.db2.gz RSSSKFCKXRHTPH-UTUOFQBUSA-N 0 3 229.320 0.495 20 0 BCADHN C[C@@H]1CN(Cc2ccc(CO)cc2)C[C@@H]1O ZINC000352770330 176303471 /nfs/dbraw/zinc/30/34/71/176303471.db2.gz RHUFCIBGPLXIBW-MFKMUULPSA-N 0 3 221.300 0.992 20 0 BCADHN C[C@@H]1CN([C@H]2CCCCNC2=O)C[C@@H]1CO ZINC000362099691 176317419 /nfs/dbraw/zinc/31/74/19/176317419.db2.gz VAWVEKCZWVHNJS-MXWKQRLJSA-N 0 3 226.320 0.215 20 0 BCADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ncn(C)n1 ZINC000291423673 176322547 /nfs/dbraw/zinc/32/25/47/176322547.db2.gz XXRVPGCBNHWGTM-ZJUUUORDSA-N 0 3 249.318 0.124 20 0 BCADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccnn1C ZINC000252443695 176323172 /nfs/dbraw/zinc/32/31/72/176323172.db2.gz NVMVEJPANWMHPZ-MNOVXSKESA-N 0 3 248.330 0.729 20 0 BCADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ncn(C)n1 ZINC000291423630 176323428 /nfs/dbraw/zinc/32/34/28/176323428.db2.gz XXRVPGCBNHWGTM-NXEZZACHSA-N 0 3 249.318 0.124 20 0 BCADHN C[C@@H](CN1CCOCC1)N1CCOC[C@@H](C)C1 ZINC000340966952 176332813 /nfs/dbraw/zinc/33/28/13/176332813.db2.gz PWEZTKRJLMXYLC-STQMWFEESA-N 0 3 242.363 0.675 20 0 BCADHN C[C@@H]1COCCN1C(=O)/C=C/CN(C)C ZINC000264647283 176333120 /nfs/dbraw/zinc/33/31/20/176333120.db2.gz RSYYSTWBQOSOEJ-ORAHPGNNSA-N 0 3 212.293 0.352 20 0 BCADHN C[C@@H]1COCCN([C@H]2CCCCNC2=O)C1 ZINC000336661508 176333289 /nfs/dbraw/zinc/33/32/89/176333289.db2.gz BTKYVLVMYZENNG-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H]1COCCN1C(=O)NC1CCN(C)CC1 ZINC000126452159 176333988 /nfs/dbraw/zinc/33/39/88/176333988.db2.gz MHNRAINPPFNHAH-SNVBAGLBSA-N 0 3 241.335 0.511 20 0 BCADHN C[C@H](CNC(=O)c1ncc[nH]1)N1CCCC1 ZINC000668296863 487633506 /nfs/dbraw/zinc/63/35/06/487633506.db2.gz ACCMNMNSUHPZOK-SECBINFHSA-N 0 3 222.292 0.624 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CCOC[C@H]1C ZINC000346132705 176343159 /nfs/dbraw/zinc/34/31/59/176343159.db2.gz AHSIFVGBLQAERY-GMTAPVOTSA-N 0 3 228.336 0.725 20 0 BCADHN C[C@@H]1CS(=O)(=O)C[C@H]1NCc1cc[nH]c1 ZINC000348214172 176349071 /nfs/dbraw/zinc/34/90/71/176349071.db2.gz XFGRNIRPYUQCIB-PSASIEDQSA-N 0 3 228.317 0.537 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CSC[C@H]1C ZINC000336678072 176354228 /nfs/dbraw/zinc/35/42/28/176354228.db2.gz DTKODZQKFAEFFE-HLTSFMKQSA-N 0 3 237.390 0.761 20 0 BCADHN 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/nfs/dbraw/zinc/25/24/68/226252468.db2.gz MJOVBHFJBZXRAS-PORFMDCZSA-N 0 3 226.320 0.476 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCn2cncc2C1 ZINC000493782712 226253923 /nfs/dbraw/zinc/25/39/23/226253923.db2.gz FGQGDBJQOULIPP-ARJAWSKDSA-N 0 3 234.303 0.343 20 0 BCADHN CN(C(=O)/C=C/c1ncc[nH]1)[C@@H]1CCCN(C)C1 ZINC000493793214 226254550 /nfs/dbraw/zinc/25/45/50/226254550.db2.gz QKYUQXOKUSYQJB-MVIFTORASA-N 0 3 248.330 0.976 20 0 BCADHN O=C(C=Cc1c[nH]cn1)N[C@H]1CCN(C2CC2)C1 ZINC000493798134 226254700 /nfs/dbraw/zinc/25/47/00/226254700.db2.gz WCRHZAQQPIFIAJ-BQTOJVEASA-N 0 3 246.314 0.776 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCC[C@@H](CO)CC1 ZINC000493824993 226256139 /nfs/dbraw/zinc/25/61/39/226256139.db2.gz PKHKXIBXVIDWAJ-FVOPLDGLSA-N 0 3 240.347 0.725 20 0 BCADHN OCCN1CCN(C[C@H]2CCSC2)CC1 ZINC000494404295 226264952 /nfs/dbraw/zinc/26/49/52/226264952.db2.gz JGMDNWIFJVUEBE-LLVKDONJSA-N 0 3 230.377 0.349 20 0 BCADHN C[C@H](O)CN1CCN(C[C@H]2CCCOC2)CC1 ZINC000494460117 226265548 /nfs/dbraw/zinc/26/55/48/226265548.db2.gz XJIGVEOEQYYWJV-QWHCGFSZSA-N 0 3 242.363 0.411 20 0 BCADHN O[C@@H]1CN(CCCN2CCOCC2)CC12CC2 ZINC000494653486 226267264 /nfs/dbraw/zinc/26/72/64/226267264.db2.gz KLWDZBMPVPIZDN-GFCCVEGCSA-N 0 3 240.347 0.165 20 0 BCADHN Cc1nccn1CCN[C@@H](CO)c1cnn(C)c1 ZINC000494813692 226269963 /nfs/dbraw/zinc/26/99/63/226269963.db2.gz YCOBCBPENMCZCX-LBPRGKRZSA-N 0 3 249.318 0.248 20 0 BCADHN C[C@H](O)[C@@H]1CCN(C[C@H]2CN(C)C(=O)O2)C1 ZINC000496433383 226305006 /nfs/dbraw/zinc/30/50/06/226305006.db2.gz FMSLRGAPLUUOLI-IVZWLZJFSA-N 0 3 228.292 0.140 20 0 BCADHN CN(C)C(=O)O[C@H]1CCN(CC(C)(C)O)C1 ZINC000496755460 226313557 /nfs/dbraw/zinc/31/35/57/226313557.db2.gz GZCMXYISXDBMAW-VIFPVBQESA-N 0 3 230.308 0.530 20 0 BCADHN COCC1CCN(C[C@H]2CN(C)C(=O)O2)CC1 ZINC000496864461 226316085 /nfs/dbraw/zinc/31/60/85/226316085.db2.gz OWMXTXCPAZZELN-LLVKDONJSA-N 0 3 242.319 0.795 20 0 BCADHN C[C@H](O)CCN1CC[C@H](OC(=O)N(C)C)C1 ZINC000497095359 226322230 /nfs/dbraw/zinc/32/22/30/226322230.db2.gz NHDWGGZSVPRYGV-UWVGGRQHSA-N 0 3 230.308 0.530 20 0 BCADHN C[C@H](CO)N(C)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000501828896 226328552 /nfs/dbraw/zinc/32/85/52/226328552.db2.gz LZBRXYGLBIZLDN-OUAUKWLOSA-N 0 3 243.351 0.491 20 0 BCADHN OCCN1CCN(CC[C@H]2CCOC2)CC1 ZINC000400649006 226348469 /nfs/dbraw/zinc/34/84/69/226348469.db2.gz SKAOWSLIAJBDCA-LBPRGKRZSA-N 0 3 228.336 0.023 20 0 BCADHN CN(C)C(=O)OC1CCN(CCCCO)CC1 ZINC000495725483 226287334 /nfs/dbraw/zinc/28/73/34/226287334.db2.gz CNDILILACSREJG-UHFFFAOYSA-N 0 3 244.335 0.922 20 0 BCADHN COC[C@@H]1CCCCN1C[C@@H]1CN(C)C(=O)O1 ZINC000495969838 226293496 /nfs/dbraw/zinc/29/34/96/226293496.db2.gz NXGDNNNWPBOPSM-QWRGUYRKSA-N 0 3 242.319 0.938 20 0 BCADHN COC[C@H]1CCN(C[C@H]2CN(C)C(=O)O2)C1 ZINC000496282248 226301057 /nfs/dbraw/zinc/30/10/57/226301057.db2.gz HWALNTNRLHCMEK-VHSXEESVSA-N 0 3 228.292 0.405 20 0 BCADHN Cn1nccc1CCN(CCCO)C1CC1 ZINC000309106996 487649753 /nfs/dbraw/zinc/64/97/53/487649753.db2.gz IHCLYTMILQZYIX-UHFFFAOYSA-N 0 3 223.320 0.809 20 0 BCADHN CN1CCC[C@H](NC(=O)Cc2ccc(=O)[nH]c2)C1 ZINC000668330068 487652472 /nfs/dbraw/zinc/65/24/72/487652472.db2.gz KKQKYPDHWGWCBA-NSHDSACASA-N 0 3 249.314 0.540 20 0 BCADHN CN1CC[C@](O)(CNC(=O)NCCC2CC2)C1 ZINC000680834281 487654975 /nfs/dbraw/zinc/65/49/75/487654975.db2.gz WASKGPULDLFQPX-LBPRGKRZSA-N 0 3 241.335 0.152 20 0 BCADHN CN1CC[C@](O)(CNc2cc3c(nn2)CCC3)C1 ZINC000680830815 487655188 /nfs/dbraw/zinc/65/51/88/487655188.db2.gz OUXXQUYENPQSMT-ZDUSSCGKSA-N 0 3 248.330 0.444 20 0 BCADHN C[C@@H](c1ccncc1)N1CC[C@](O)(C(N)=O)C1 ZINC000671627666 487655881 /nfs/dbraw/zinc/65/58/81/487655881.db2.gz KRWOYELUPLSPKN-JOYOIKCWSA-N 0 3 235.287 0.065 20 0 BCADHN Cn1[nH]cnc1=NC1CCN(C2CC2)CC1 ZINC000653463015 487657943 /nfs/dbraw/zinc/65/79/43/487657943.db2.gz XJYWYKGBRMOTAW-UHFFFAOYSA-N 0 3 221.308 0.276 20 0 BCADHN COC(OC)[C@@H](C)N[C@@H](C)COC(C)=O ZINC000895787116 583727260 /nfs/dbraw/zinc/72/72/60/583727260.db2.gz HAFQDQXNQIOXPE-JGVFFNPUSA-N 0 3 219.281 0.535 20 0 BCADHN N[C@@H]1CN(C(=O)NC[C@@H]2CCCO2)CC[C@H]1F ZINC000659422939 487664061 /nfs/dbraw/zinc/66/40/61/487664061.db2.gz AGPLXUIOTFPVMH-IVZWLZJFSA-N 0 3 245.298 0.246 20 0 BCADHN CC1(C)C[C@@H]1CNC(=O)CN1CCNCC1 ZINC000232874632 487664734 /nfs/dbraw/zinc/66/47/34/487664734.db2.gz CNAMFGNRKHHRKH-SNVBAGLBSA-N 0 3 225.336 0.054 20 0 BCADHN CC(C)(C)OCCCN1C[C@@H](O)C[C@H]1CO ZINC000680886723 487665660 /nfs/dbraw/zinc/66/56/60/487665660.db2.gz NCQWQZSQTRVLHK-QWRGUYRKSA-N 0 3 231.336 0.619 20 0 BCADHN COCC1(N(C)CCN2CCO[C@@H](C)C2)CC1 ZINC000669691642 487667590 /nfs/dbraw/zinc/66/75/90/487667590.db2.gz LPFGPIAEUJLBDV-LBPRGKRZSA-N 0 3 242.363 0.818 20 0 BCADHN CO[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC000442699405 229162718 /nfs/dbraw/zinc/16/27/18/229162718.db2.gz KTUXFSZKEXCWGO-ZJUUUORDSA-N 0 3 216.325 0.724 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@H]1CCCO1 ZINC000491639397 229200731 /nfs/dbraw/zinc/20/07/31/229200731.db2.gz IZEBBXHTMKPFKZ-XICOKMJESA-N 0 3 212.293 0.399 20 0 BCADHN Cc1nccc(CNC(=O)/C=C/CN(C)C)n1 ZINC000491645967 229202899 /nfs/dbraw/zinc/20/28/99/229202899.db2.gz SVTRKLJEXKZRLR-SNAWJCMRSA-N 0 3 234.303 0.519 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000512412887 229342653 /nfs/dbraw/zinc/34/26/53/229342653.db2.gz YCJVLCSPLAIPGW-DCAQKATOSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000512417230 229343623 /nfs/dbraw/zinc/34/36/23/229343623.db2.gz YWRBGQPYSWNXRI-DCAQKATOSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@@H](C)[C@H]1CO ZINC000512446875 229346149 /nfs/dbraw/zinc/34/61/49/229346149.db2.gz IGNXNWBKGRWHDA-OUAUKWLOSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@@H](C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)N(C)C ZINC000675147481 487673025 /nfs/dbraw/zinc/67/30/25/487673025.db2.gz SKSUMVOXBFYTAB-SCVCMEIPSA-N 0 3 239.363 0.535 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccn(C)n1 ZINC000675148039 487675297 /nfs/dbraw/zinc/67/52/97/487675297.db2.gz ZSNXYXIEKNUUTM-BXKDBHETSA-N 0 3 248.330 0.633 20 0 BCADHN CN(C)CCNC(=O)NCCOCC1CCC1 ZINC000680946117 487675884 /nfs/dbraw/zinc/67/58/84/487675884.db2.gz KMTODKFBKCGLNN-UHFFFAOYSA-N 0 3 243.351 0.664 20 0 BCADHN C[NH+](C)[C@H]1C[C@@H](CN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000653474316 487681545 /nfs/dbraw/zinc/68/15/45/487681545.db2.gz JNKAKBUUEHPYCR-DTORHVGOSA-N 0 3 246.318 0.479 20 0 BCADHN Cn1nnc2cc(CN(CCO)C3CC3)ccc21 ZINC000675276680 487684479 /nfs/dbraw/zinc/68/44/79/487684479.db2.gz IWVAYVBOLVZOOX-UHFFFAOYSA-N 0 3 246.314 0.925 20 0 BCADHN CCNC(=O)CN(C)CC1CC(OCC)C1 ZINC000671677861 487684614 /nfs/dbraw/zinc/68/46/14/487684614.db2.gz PTLZKLKGFZSMOO-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN CC/C=C(\C)C(=O)NCCN(C)CCO ZINC000899737696 584233074 /nfs/dbraw/zinc/23/30/74/584233074.db2.gz MWFUYAIISPMJOL-BJMVGYQFSA-N 0 3 214.309 0.383 20 0 BCADHN CC/C=C(/C)C(=O)NCCN(C)CCO ZINC000899737697 584232260 /nfs/dbraw/zinc/23/22/60/584232260.db2.gz MWFUYAIISPMJOL-YHYXMXQVSA-N 0 3 214.309 0.383 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000087790954 487686741 /nfs/dbraw/zinc/68/67/41/487686741.db2.gz BYGDECADQQBHRJ-BBBLOLIVSA-N 0 3 210.277 0.175 20 0 BCADHN CN1CCN(CCO)[C@H](Cc2ccccc2)C1 ZINC000207134672 487695228 /nfs/dbraw/zinc/69/52/28/487695228.db2.gz IFADTMXIMDJFCZ-CQSZACIVSA-N 0 3 234.343 0.837 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000398999088 262774016 /nfs/dbraw/zinc/77/40/16/262774016.db2.gz BQQNGLFRWOFPNB-OIBJUYFYSA-N 0 3 228.292 0.182 20 0 BCADHN C[C@H]1[C@@H](CO)CCN1CC(=O)N(C)C1CC1 ZINC000395240460 262784902 /nfs/dbraw/zinc/78/49/02/262784902.db2.gz YNKNEPXZHQZDBU-VHSXEESVSA-N 0 3 226.320 0.310 20 0 BCADHN CCn1nncc1CN[C@@H]1CCO[C@@H]1C ZINC000527727610 262876744 /nfs/dbraw/zinc/87/67/44/262876744.db2.gz HRJOEQXDTRHGAN-PSASIEDQSA-N 0 3 210.281 0.565 20 0 BCADHN O[C@@H](CNCc1cncs1)[C@@H]1CCCO1 ZINC000527756918 262879873 /nfs/dbraw/zinc/87/98/73/262879873.db2.gz GSKDSWDIOGLXSW-UWVGGRQHSA-N 0 3 228.317 0.773 20 0 BCADHN CC1(O)CCN(C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528404220 262944450 /nfs/dbraw/zinc/94/44/50/262944450.db2.gz OKZXKSQJTYPZMG-NSHDSACASA-N 0 3 243.347 0.499 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671707261 487699284 /nfs/dbraw/zinc/69/92/84/487699284.db2.gz VIMZGRSWUMKCFO-VXGBXAGGSA-N 0 3 240.347 0.604 20 0 BCADHN CC[C@@](C)(N)c1cn([C@@H]2CCN(C)C2=O)nn1 ZINC000384228035 487701956 /nfs/dbraw/zinc/70/19/56/487701956.db2.gz VXBLROBPUNQNLD-LDYMZIIASA-N 0 3 237.307 0.265 20 0 BCADHN CCC(=O)N[C@@H]1CCCN(C[C@@H](C)CO)C1 ZINC000120749976 490068934 /nfs/dbraw/zinc/06/89/34/490068934.db2.gz PFCREGIKWTUNTJ-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN CCc1n[nH]cc1C(=O)N[C@@H](C)CN(C)C ZINC000672516654 487705034 /nfs/dbraw/zinc/70/50/34/487705034.db2.gz UTZYIUZORMRJTA-QMMMGPOBSA-N 0 3 224.308 0.652 20 0 BCADHN CC(C)NCC(=O)NCCC(=O)NC(C)C ZINC000163249673 487705189 /nfs/dbraw/zinc/70/51/89/487705189.db2.gz BETZWQPLVGIUMO-UHFFFAOYSA-N 0 3 229.324 0.015 20 0 BCADHN CC1(C)CNCCN1C(=O)CCn1ccnc1 ZINC000088138847 487705780 /nfs/dbraw/zinc/70/57/80/487705780.db2.gz UXORJEXFZYUZGV-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN CCn1ncnc1CNCC1(N(C)C)CCC1 ZINC000097930701 487706151 /nfs/dbraw/zinc/70/61/51/487706151.db2.gz FRNNNIRRQRIESF-UHFFFAOYSA-N 0 3 237.351 0.872 20 0 BCADHN O=C(N1CCNCC1)C1(NC2CC2)CCC1 ZINC000082652200 487706872 /nfs/dbraw/zinc/70/68/72/487706872.db2.gz ITFZVBVRIYBUIV-UHFFFAOYSA-N 0 3 223.320 0.093 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)CC[C@H](C)O ZINC000638006321 487710231 /nfs/dbraw/zinc/71/02/31/487710231.db2.gz CNTNNWJFTDLZDK-IUCAKERBSA-N 0 3 202.298 0.214 20 0 BCADHN CN(Cc1ccc2c(c1)nnn2C)C1(CO)CC1 ZINC000671727357 487709984 /nfs/dbraw/zinc/70/99/84/487709984.db2.gz AWIRRFXURWLTNC-UHFFFAOYSA-N 0 3 246.314 0.925 20 0 BCADHN CC(=O)NCCCNC(=O)[C@H](N)CC(C)C ZINC000151737057 487714957 /nfs/dbraw/zinc/71/49/57/487714957.db2.gz HYJITTXWKLPJFF-SNVBAGLBSA-N 0 3 229.324 0.002 20 0 BCADHN COC[C@H](CC(C)(C)C)NC(=O)[C@H](C)N ZINC000655497094 487714746 /nfs/dbraw/zinc/71/47/46/487714746.db2.gz OBJLAAMUZXRESH-IUCAKERBSA-N 0 3 216.325 0.901 20 0 BCADHN CC1(OCC(=O)N2Cc3ccccc3C2)CNC1 ZINC000098061362 487719472 /nfs/dbraw/zinc/71/94/72/487719472.db2.gz IKJVZIGJKHRECD-UHFFFAOYSA-N 0 3 246.310 0.907 20 0 BCADHN CC(C(=O)NC1CC=CC1)S(C)(=O)=O ZINC000675368129 487720124 /nfs/dbraw/zinc/72/01/24/487720124.db2.gz FFTZENCOYGJJAR-ZETCQYMHSA-N 0 3 217.290 0.254 20 0 BCADHN CN(Cc1ccncc1)C(=O)COC1(C)CNC1 ZINC000098061792 487720194 /nfs/dbraw/zinc/72/01/94/487720194.db2.gz AKLCNUMGQDCFIV-UHFFFAOYSA-N 0 3 249.314 0.419 20 0 BCADHN CC1(OCC(=O)Nc2ccccc2O)CNC1 ZINC000098061807 487720266 /nfs/dbraw/zinc/72/02/66/487720266.db2.gz LQCWMGYYIJQYFR-UHFFFAOYSA-N 0 3 236.271 0.709 20 0 BCADHN CCN(C[C@@H]1CCCO1)C[C@H]1CNCCO1 ZINC000249825947 487724568 /nfs/dbraw/zinc/72/45/68/487724568.db2.gz NEYZOPKYPVYAFT-NWDGAFQWSA-N 0 3 228.336 0.476 20 0 BCADHN Cc1ccc(CCCN[C@H]2CCNC2=O)cn1 ZINC000668424944 487731506 /nfs/dbraw/zinc/73/15/06/487731506.db2.gz CKCKDDYFZLUVIW-LBPRGKRZSA-N 0 3 233.315 0.801 20 0 BCADHN O=C(CNC1CC(C(F)F)C1)N1CCOCC1 ZINC000681121416 487733673 /nfs/dbraw/zinc/73/36/73/487733673.db2.gz VKGIKVKONJTUIQ-UHFFFAOYSA-N 0 3 248.273 0.479 20 0 BCADHN Cc1cnc(CNC(=O)C2(N)CC2)s1 ZINC000226405052 487734239 /nfs/dbraw/zinc/73/42/39/487734239.db2.gz IVNUGSPPDQZDQE-UHFFFAOYSA-N 0 3 211.290 0.559 20 0 BCADHN CC1(NCc2ccc(S(N)(=O)=O)o2)CCC1 ZINC000228837270 487735312 /nfs/dbraw/zinc/73/53/12/487735312.db2.gz DAPAHGZMMGYIBG-UHFFFAOYSA-N 0 3 244.316 0.959 20 0 BCADHN CN(C)C1CN(c2ncnc3c2OCCN3)C1 ZINC000665709378 487736314 /nfs/dbraw/zinc/73/63/14/487736314.db2.gz QSVOWVZONLXCLY-UHFFFAOYSA-N 0 3 235.291 0.031 20 0 BCADHN CN(C)CCOCCNC(=O)N1CC(C)(C)C1 ZINC000683993607 487737729 /nfs/dbraw/zinc/73/77/29/487737729.db2.gz LFTXQLWUNSZTTG-UHFFFAOYSA-N 0 3 243.351 0.616 20 0 BCADHN C[C@@H](c1ccncc1)N1C[C@@H](O)C[C@H]1CO ZINC000681167859 487740886 /nfs/dbraw/zinc/74/08/86/487740886.db2.gz TYAILZKVKZITAQ-DLOVCJGASA-N 0 3 222.288 0.570 20 0 BCADHN Cc1n[nH]cc1CNC1(CCO)CCOCC1 ZINC000675553347 487747618 /nfs/dbraw/zinc/74/76/18/487747618.db2.gz HQELQNXRMJQLMT-UHFFFAOYSA-N 0 3 239.319 0.739 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)Cc1ccccn1 ZINC000655500014 487747637 /nfs/dbraw/zinc/74/76/37/487747637.db2.gz TYQBWQCDRKYMMI-MWLCHTKSSA-N 0 3 221.304 0.866 20 0 BCADHN Cc1c[nH]nc1C(=O)NC[C@H](C)N1CCCC1 ZINC000669601858 487748195 /nfs/dbraw/zinc/74/81/95/487748195.db2.gz HFYLHWMYDGKWJT-JTQLQIEISA-N 0 3 236.319 0.932 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc(N(C)C)cn1 ZINC000290034875 487749947 /nfs/dbraw/zinc/74/99/47/487749947.db2.gz SBVNWSHTAUVJHU-SECBINFHSA-N 0 3 238.291 0.060 20 0 BCADHN Cc1c[nH]nc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000669602782 487750043 /nfs/dbraw/zinc/75/00/43/487750043.db2.gz MYQTWPHNJOIORI-LLVKDONJSA-N 0 3 248.330 0.932 20 0 BCADHN CN(Cc1cn[nH]c1)C(=O)C1(N)CCC1 ZINC000088051241 487751080 /nfs/dbraw/zinc/75/10/80/487751080.db2.gz RUDBBZHQPFEGSF-UHFFFAOYSA-N 0 3 208.265 0.250 20 0 BCADHN CCC[C@H](N)c1cn(C(COC)COC)nn1 ZINC000384914573 487754104 /nfs/dbraw/zinc/75/41/04/487754104.db2.gz CSAQGMNFFWLZHG-JTQLQIEISA-N 0 3 242.323 0.912 20 0 BCADHN O=C(c1cnc[nH]1)N1CCN2CCCC[C@H]2C1 ZINC000263673388 487758475 /nfs/dbraw/zinc/75/84/75/487758475.db2.gz LPCAVPNQSQOEJG-JTQLQIEISA-N 0 3 234.303 0.720 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@H]1COC)N(C)C ZINC000665751672 487760856 /nfs/dbraw/zinc/76/08/56/487760856.db2.gz RTNSUUAPWDLTLL-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN Cc1nn(C)cc1CNCC[C@@H](O)C(F)F ZINC000631216632 487761988 /nfs/dbraw/zinc/76/19/88/487761988.db2.gz QHKNZNXMLJPEJD-SECBINFHSA-N 0 3 233.262 0.834 20 0 BCADHN Cc1cc(CN2CCC[C@@H](CC(N)=O)C2)ncn1 ZINC000292564975 487763181 /nfs/dbraw/zinc/76/31/81/487763181.db2.gz SASMGVDHKNAFJQ-NSHDSACASA-N 0 3 248.330 0.872 20 0 BCADHN CCN1C[C@H](CNCc2cc(C)no2)CC1=O ZINC000631169480 487763299 /nfs/dbraw/zinc/76/32/99/487763299.db2.gz WYTZYCMGKDTCBV-JTQLQIEISA-N 0 3 237.303 0.941 20 0 BCADHN C[C@H](CO)CN1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000684101629 487765576 /nfs/dbraw/zinc/76/55/76/487765576.db2.gz UWUCITIPNNVWJJ-ZDEQEGDKSA-N 0 3 243.347 0.883 20 0 BCADHN Cc1cc(CN[C@@H]2CCCN(C)C2)nn1C ZINC000666232795 487765910 /nfs/dbraw/zinc/76/59/10/487765910.db2.gz ZOIAHLUQUKDLQN-LLVKDONJSA-N 0 3 222.336 0.912 20 0 BCADHN CO[C@@H](CNC1CSC1)[C@@H]1CCOC1 ZINC000668445030 487766188 /nfs/dbraw/zinc/76/61/88/487766188.db2.gz WBNPQASFCCNIPQ-SCZZXKLOSA-N 0 3 217.334 0.743 20 0 BCADHN COC[C@](C)(CO)NCc1cccc2nccn21 ZINC000679118204 487767093 /nfs/dbraw/zinc/76/70/93/487767093.db2.gz UDACEXJLMURESU-ZDUSSCGKSA-N 0 3 249.314 0.821 20 0 BCADHN CN1CCC[C@@H](NC(=O)Nc2cccnn2)C1 ZINC000675694374 487767699 /nfs/dbraw/zinc/76/76/99/487767699.db2.gz PBTLYBZWKSPYNP-SECBINFHSA-N 0 3 235.291 0.692 20 0 BCADHN CC[C@@H](O)CCNC(=O)N[C@H]1CCCN(C)C1 ZINC000675708981 487768311 /nfs/dbraw/zinc/76/83/11/487768311.db2.gz ANAZAWWTZHIYCX-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H](CNC(=O)c1cc(O)cc(=O)[nH]1)N(C)C ZINC000666244093 487768873 /nfs/dbraw/zinc/76/88/73/487768873.db2.gz PJPSNKJXNYSJAO-SSDOTTSWSA-N 0 3 239.275 0.173 20 0 BCADHN CO[C@H](C)CNC(=O)NC(C)(C)CN(C)C ZINC000666256440 487770829 /nfs/dbraw/zinc/77/08/29/487770829.db2.gz MIZVYRYHNGYDCV-SECBINFHSA-N 0 3 231.340 0.661 20 0 BCADHN CC(C)OCCNC[C@H](O)C(F)(F)F ZINC000159040260 487771316 /nfs/dbraw/zinc/77/13/16/487771316.db2.gz LZRZQOCGDMFKRG-ZETCQYMHSA-N 0 3 215.215 0.924 20 0 BCADHN CO[C@@H](C)[C@H](C)NCC(=O)NCc1ccco1 ZINC000675738508 487773545 /nfs/dbraw/zinc/77/35/45/487773545.db2.gz JJUJYKORWIJUMF-UWVGGRQHSA-N 0 3 240.303 0.909 20 0 BCADHN CC[C@@H](C(=O)NCCCn1cncn1)N(C)C ZINC000675748503 487773581 /nfs/dbraw/zinc/77/35/81/487773581.db2.gz JCARYJQIBLGUSJ-JTQLQIEISA-N 0 3 239.323 0.125 20 0 BCADHN C[NH2+]C[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000662965129 487773695 /nfs/dbraw/zinc/77/36/95/487773695.db2.gz MACRLAHSMMOWIC-ZETCQYMHSA-N 0 3 233.275 0.296 20 0 BCADHN CC(=O)N1CCCN([C@@H]2CCCOC2)CC1 ZINC000674286229 487776287 /nfs/dbraw/zinc/77/62/87/487776287.db2.gz GKAKCDNPZROFPJ-GFCCVEGCSA-N 0 3 226.320 0.720 20 0 BCADHN CC[C@H](C(=O)NCc1cocn1)N(C)C ZINC000675787380 487779899 /nfs/dbraw/zinc/77/98/99/487779899.db2.gz LCAYDWLOFJYWQT-SECBINFHSA-N 0 3 211.265 0.631 20 0 BCADHN CC[C@@H](C(=O)NCc1cc(C)n[nH]1)N(C)C ZINC000675796435 487780176 /nfs/dbraw/zinc/78/01/76/487780176.db2.gz BBTMZGPPDKSHOG-JTQLQIEISA-N 0 3 224.308 0.675 20 0 BCADHN CC[C@@H](C(=O)NCc1cc(C)[nH]n1)N(C)C ZINC000675796435 487780178 /nfs/dbraw/zinc/78/01/78/487780178.db2.gz BBTMZGPPDKSHOG-JTQLQIEISA-N 0 3 224.308 0.675 20 0 BCADHN C[C@H](O)CN(C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763687984 585452243 /nfs/dbraw/zinc/45/22/43/585452243.db2.gz RISCFRVFTLAEEU-DTWKUNHWSA-N 0 3 213.277 0.395 20 0 BCADHN CCc1cc(=O)[n-]c(CN2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000359317672 487787115 /nfs/dbraw/zinc/78/71/15/487787115.db2.gz XNWGQWHKSPNTAV-AOOOYVTPSA-N 0 3 248.330 0.396 20 0 BCADHN FCCCN1CCN(CCn2cccn2)CC1 ZINC000675888498 487787172 /nfs/dbraw/zinc/78/71/72/487787172.db2.gz ZGVDYVHCNFVOHY-UHFFFAOYSA-N 0 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CC(C)NCC(=O)NC[C@@H]1CCCCO1 ZINC000042823935 487804459 /nfs/dbraw/zinc/80/44/59/487804459.db2.gz BRPCJYQAJVEBBT-JTQLQIEISA-N 0 3 214.309 0.670 20 0 BCADHN COC[C@H](OC)C(=O)NCCN1CCCCC1 ZINC000666424511 487805372 /nfs/dbraw/zinc/80/53/72/487805372.db2.gz PSYKOKKKWAVLSI-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN Cn1nnc2cc(CNC3(CO)CCC3)ccc21 ZINC000676045822 487805397 /nfs/dbraw/zinc/80/53/97/487805397.db2.gz WZZJXUMRUAYOBI-UHFFFAOYSA-N 0 3 246.314 0.973 20 0 BCADHN C[C@@H]1[C@@H](C)N(Cc2cn[nH]c2)CCN1C ZINC000681491184 487806639 /nfs/dbraw/zinc/80/66/39/487806639.db2.gz DTXZCZUVOALDMY-NXEZZACHSA-N 0 3 208.309 0.934 20 0 BCADHN C[C@H]1CCCN(CCNC(=O)c2ncc[nH]2)C1 ZINC000666428293 487806929 /nfs/dbraw/zinc/80/69/29/487806929.db2.gz MTQDXIRGKXYYKI-JTQLQIEISA-N 0 3 236.319 0.871 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000129245188 487813279 /nfs/dbraw/zinc/81/32/79/487813279.db2.gz PZDPXTZIEXCSNZ-SECBINFHSA-N 0 3 233.271 0.857 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000665885230 487813656 /nfs/dbraw/zinc/81/36/56/487813656.db2.gz PVMJTMPKFVVSBE-IJLUTSLNSA-N 0 3 240.347 0.605 20 0 BCADHN CC(C)NCC(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000229069702 487815434 /nfs/dbraw/zinc/81/54/34/487815434.db2.gz RLFYGUSWDIHLNS-VIFPVBQESA-N 0 3 243.351 0.404 20 0 BCADHN Cc1ncc(C(=O)NC[C@@H]2CCN(C)C2)c(N)n1 ZINC000676210941 487820905 /nfs/dbraw/zinc/82/09/05/487820905.db2.gz LXESXNJRORCDNS-VIFPVBQESA-N 0 3 249.318 0.049 20 0 BCADHN c1cn(CCN2CC[C@H](n3cncn3)C2)cn1 ZINC000681602832 487821221 /nfs/dbraw/zinc/82/12/21/487821221.db2.gz FBUXANBQFQUQMZ-NSHDSACASA-N 0 3 232.291 0.422 20 0 BCADHN CN(C)C(=O)CCN1CC[C@H](n2cncn2)C1 ZINC000681603535 487822588 /nfs/dbraw/zinc/82/25/88/487822588.db2.gz JPTHRVZUMVZODO-JTQLQIEISA-N 0 3 237.307 0.003 20 0 BCADHN CCOCCCN1CC[C@H](n2cncn2)C1 ZINC000681606180 487824877 /nfs/dbraw/zinc/82/48/77/487824877.db2.gz LGJFZYSOLPZSDR-NSHDSACASA-N 0 3 224.308 0.952 20 0 BCADHN CSCCONC(=O)N(C)CCN(C)C ZINC000793435256 586020091 /nfs/dbraw/zinc/02/00/91/586020091.db2.gz WJHCIOWIERPWJB-UHFFFAOYSA-N 0 3 235.353 0.484 20 0 BCADHN O=C(NC1CC1)[C@H]1CCCN1CCc1c[nH]nn1 ZINC000647963858 487826633 /nfs/dbraw/zinc/82/66/33/487826633.db2.gz DXWFUXJRVGCGGV-LLVKDONJSA-N 0 3 249.318 0.090 20 0 BCADHN C[C@H]1C[C@H](NCCNC(=O)c2ccco2)CO1 ZINC000647169183 487829845 /nfs/dbraw/zinc/82/98/45/487829845.db2.gz DGPCIHLBSLCCEM-UWVGGRQHSA-N 0 3 238.287 0.776 20 0 BCADHN CNC(=S)NCC1(SC)CCN(C)CC1 ZINC000811710691 586566169 /nfs/dbraw/zinc/56/61/69/586566169.db2.gz JWVJHNAKXNLGQL-UHFFFAOYSA-N 0 3 247.433 0.908 20 0 BCADHN CCOC[C@H](C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000681654135 487831102 /nfs/dbraw/zinc/83/11/02/487831102.db2.gz AKQQROJKBFUSBC-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CC(C)OC(=O)NCCCN1CCC(O)CC1 ZINC000496786270 527819410 /nfs/dbraw/zinc/81/94/10/527819410.db2.gz QDPLMPLCASHOQE-UHFFFAOYSA-N 0 3 244.335 0.968 20 0 BCADHN C[C@@H](CNCCOCC(F)F)S(C)(=O)=O ZINC000572835337 487832104 /nfs/dbraw/zinc/83/21/04/487832104.db2.gz UNFMJJKYHMEVEF-ZETCQYMHSA-N 0 3 245.291 0.291 20 0 BCADHN CO[C@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000672139215 487832794 /nfs/dbraw/zinc/83/27/94/487832794.db2.gz GGIIMAPXBKHBPG-OUAUKWLOSA-N 0 3 226.320 0.716 20 0 BCADHN C[C@@H]1C[C@@H](N(C)CC[S@](C)=O)CCN1C ZINC000827976024 587414404 /nfs/dbraw/zinc/41/44/04/587414404.db2.gz NQLUFLLXRRXVAD-ZETOZRRWSA-N 0 3 232.393 0.779 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@](O)(CC)C1 ZINC000495228936 528026806 /nfs/dbraw/zinc/02/68/06/528026806.db2.gz MPZHZYHNIPOJST-LBPRGKRZSA-N 0 3 228.336 0.702 20 0 BCADHN CON1CCC(N(C)CC[S@](C)=O)CC1 ZINC000828615568 587453802 /nfs/dbraw/zinc/45/38/02/587453802.db2.gz PVZCZPJVTYDHSC-HNNXBMFYSA-N 0 3 234.365 0.323 20 0 BCADHN COC[C@H]1CCCCN1CC[S@@](C)=O ZINC000832621038 587670028 /nfs/dbraw/zinc/67/00/28/587670028.db2.gz PNOUJXVTPDEGLU-QMTHXVAHSA-N 0 3 219.350 0.866 20 0 BCADHN CCO/C=C/C(=O)N1CCCN(C)CC1 ZINC000493274623 528460611 /nfs/dbraw/zinc/46/06/11/528460611.db2.gz UUCZHAICNNTPBH-BJMVGYQFSA-N 0 3 212.293 0.701 20 0 BCADHN C[C@H]1CCC[C@H](CNC(=O)NCCN(C)C)O1 ZINC000666594239 487836159 /nfs/dbraw/zinc/83/61/59/487836159.db2.gz WXKVGKLJOCKPRJ-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CS[C@@H]1CCN(C(=S)NCCN(C)C)C1 ZINC000840787934 587921705 /nfs/dbraw/zinc/92/17/05/587921705.db2.gz IZWIONGNCVFOAC-SECBINFHSA-N 0 3 247.433 0.860 20 0 BCADHN CC[C@@H](COC)NCC(=O)N(CC)OC ZINC000843430347 588105706 /nfs/dbraw/zinc/10/57/06/588105706.db2.gz JBUCCAMKFFOUCK-VIFPVBQESA-N 0 3 218.297 0.411 20 0 BCADHN CN1CCC[C@H]1CNC(=O)C1(F)CC1 ZINC000843798370 588141087 /nfs/dbraw/zinc/14/10/87/588141087.db2.gz WFIDCCFTGLVXGI-QMMMGPOBSA-N 0 3 200.257 0.699 20 0 BCADHN OCCOC1CCN(CCOC(F)F)CC1 ZINC000851869744 588637426 /nfs/dbraw/zinc/63/74/26/588637426.db2.gz PRJXYFXLPCBXED-UHFFFAOYSA-N 0 3 239.262 0.699 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCCOC(F)F ZINC000852014072 588655549 /nfs/dbraw/zinc/65/55/49/588655549.db2.gz YQZMUADYZPVTJK-RQJHMYQMSA-N 0 3 222.235 0.340 20 0 BCADHN C[S@](=O)CCN1C[C@@H]2COC[C@]2(C)C1 ZINC000852534923 588686240 /nfs/dbraw/zinc/68/62/40/588686240.db2.gz RTHAVMWYWJBTNP-BFVZDQMLSA-N 0 3 217.334 0.333 20 0 BCADHN C[C@@H]1CC(=O)NCCN1C[C@H](O)C(C)(C)C ZINC000676385496 487843472 /nfs/dbraw/zinc/84/34/72/487843472.db2.gz XIWWIDHRPGLOBG-ZJUUUORDSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)N(C[C@@H]1CN(C)C(=O)O1)[C@@H]1CCOC1 ZINC000495724178 528926693 /nfs/dbraw/zinc/92/66/93/528926693.db2.gz AKYBLEKDUZGSAI-MNOVXSKESA-N 0 3 242.319 0.936 20 0 BCADHN C[C@@H]1CC(=O)NCCN1C[C@@H](O)C(C)(C)C ZINC000676385493 487843607 /nfs/dbraw/zinc/84/36/07/487843607.db2.gz XIWWIDHRPGLOBG-NXEZZACHSA-N 0 3 228.336 0.604 20 0 BCADHN COC[C@H]1CCN1C[C@@H](O)CC(C)(C)O ZINC000871981042 589851851 /nfs/dbraw/zinc/85/18/51/589851851.db2.gz UOVCRCLZSXYRBY-ZJUUUORDSA-N 0 3 217.309 0.229 20 0 BCADHN COC(C)(C)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000171666557 487845699 /nfs/dbraw/zinc/84/56/99/487845699.db2.gz ZYQFDMLLVSDCPO-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@@]1(O)CCN(CCn2ccccc2=O)C1 ZINC000681709307 487845787 /nfs/dbraw/zinc/84/57/87/487845787.db2.gz FNQFNXPPTGYARA-CYBMUJFWSA-N 0 3 236.315 0.695 20 0 BCADHN CC1(C)CNCCN1C(=O)c1ccncc1 ZINC000062609506 487846062 /nfs/dbraw/zinc/84/60/62/487846062.db2.gz WEGXJHNDLBOYBY-UHFFFAOYSA-N 0 3 219.288 0.906 20 0 BCADHN C[C@H](NCCS(C)(=O)=O)[C@H]1CC1(F)F ZINC000876976256 590263626 /nfs/dbraw/zinc/26/36/26/590263626.db2.gz MBSAVLXXUKTYQD-NKWVEPMBSA-N 0 3 227.276 0.664 20 0 BCADHN CC[C@@H](N)C(=O)N(CC)[C@@H]1CCCOC1 ZINC000402711743 487846927 /nfs/dbraw/zinc/84/69/27/487846927.db2.gz RXWHMJZEOMPURX-NXEZZACHSA-N 0 3 214.309 0.751 20 0 BCADHN O=C(CN1CC[C@@H]2CCC[C@H]21)N1CCNC1=O ZINC000681710440 487846465 /nfs/dbraw/zinc/84/64/65/487846465.db2.gz SDLCHVFQUFKVIC-VHSXEESVSA-N 0 3 237.303 0.413 20 0 BCADHN O=C1CC[C@@H](CN2CC[C@@H](CF)C2)O1 ZINC000880299106 590994316 /nfs/dbraw/zinc/99/43/16/590994316.db2.gz CTZTYOJEGGEKOG-IUCAKERBSA-N 0 3 201.241 0.983 20 0 BCADHN CN(CCO)CCNC(=O)OC1CCC1 ZINC000885804460 592102117 /nfs/dbraw/zinc/10/21/17/592102117.db2.gz MLIALVGCCKREET-UHFFFAOYSA-N 0 3 216.281 0.189 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@@H](C)C1CC1 ZINC000132959851 592739931 /nfs/dbraw/zinc/73/99/31/592739931.db2.gz WZLDVRCONCLVRF-SCZZXKLOSA-N 0 3 214.309 0.513 20 0 BCADHN CC[C@@H](O)CCNC(=O)CNC[C@H]1CCCO1 ZINC000305150497 529221866 /nfs/dbraw/zinc/22/18/66/529221866.db2.gz ZZXLZXNDWWVWRW-GHMZBOCLSA-N 0 3 244.335 0.032 20 0 BCADHN CC[C@H](C(=O)N1CCO[C@H]2C[C@H]21)N(C)C ZINC000665901256 487848737 /nfs/dbraw/zinc/84/87/37/487848737.db2.gz RYIYTHZDVUHLNZ-BBBLOLIVSA-N 0 3 212.293 0.326 20 0 BCADHN CC1(C)CC(NC(=O)C[C@H]2CNCCO2)C1 ZINC000395283522 487848825 /nfs/dbraw/zinc/84/88/25/487848825.db2.gz FDTDENBJNAYMBN-JTQLQIEISA-N 0 3 226.320 0.670 20 0 BCADHN CC(C(=O)NC1(C)CC=CC1)S(C)(=O)=O ZINC000654007879 487848693 /nfs/dbraw/zinc/84/86/93/487848693.db2.gz AYYGFXZSYXIGSF-QMMMGPOBSA-N 0 3 231.317 0.644 20 0 BCADHN COCCC(C)(C)CNCc1ncnn1C ZINC000234660438 487849911 /nfs/dbraw/zinc/84/99/11/487849911.db2.gz MQOOTNJNSJQPRI-UHFFFAOYSA-N 0 3 226.324 0.967 20 0 BCADHN COC[C@@H](CN(C)C[C@H]1CCCO1)OC ZINC000659846734 487851791 /nfs/dbraw/zinc/85/17/91/487851791.db2.gz RYXKVGLLNDQARK-GHMZBOCLSA-N 0 3 217.309 0.759 20 0 BCADHN O=S(=O)([N-]CC12CC(C1)C[NH2+]2)c1ccco1 ZINC000658403749 487852088 /nfs/dbraw/zinc/85/20/88/487852088.db2.gz KLCRDLVAKHXGMU-UHFFFAOYSA-N 0 3 242.300 0.310 20 0 BCADHN COC[C@@H](CN(C)C[C@@H]1CCCO1)OC ZINC000659846742 487851864 /nfs/dbraw/zinc/85/18/64/487851864.db2.gz RYXKVGLLNDQARK-WDEREUQCSA-N 0 3 217.309 0.759 20 0 BCADHN CSC[C@@H](O)CN1CCOC[C@H](C)C1 ZINC000372920005 487854337 /nfs/dbraw/zinc/85/43/37/487854337.db2.gz AHNGUPRIPBILNV-ZJUUUORDSA-N 0 3 219.350 0.679 20 0 BCADHN C[C@H]1CN(Cc2ccc(N)nc2)CC[C@H]1O ZINC000253175928 487857186 /nfs/dbraw/zinc/85/71/86/487857186.db2.gz FQARZVGRYPDGGC-GXSJLCMTSA-N 0 3 221.304 0.867 20 0 BCADHN CCOCC[C@H](O)CN1CCOCC[C@@H]1C ZINC000373074058 487858813 /nfs/dbraw/zinc/85/88/13/487858813.db2.gz JFYPZZPPMDAXES-RYUDHWBXSA-N 0 3 231.336 0.885 20 0 BCADHN CSc1ccnc(N2CCN[C@H](C)C2)n1 ZINC000386507029 487859427 /nfs/dbraw/zinc/85/94/27/487859427.db2.gz VHCPQBNDLBALPP-MRVPVSSYSA-N 0 3 224.333 0.997 20 0 BCADHN CC(C)OC[C@H](O)CNCc1ccn(C)c1 ZINC000566112817 322957708 /nfs/dbraw/zinc/95/77/08/322957708.db2.gz SZHIVEKBXSFWAA-GFCCVEGCSA-N 0 3 226.320 0.901 20 0 BCADHN CN(Cc1ccoc1)C[C@@H]1CNC(=O)C1 ZINC000659852399 487863729 /nfs/dbraw/zinc/86/37/29/487863729.db2.gz NTPCYVTXDPZUCN-JTQLQIEISA-N 0 3 208.261 0.848 20 0 BCADHN CC(C)c1cc(=O)n(C[C@H]2CNCCO2)cn1 ZINC000395644786 487865623 /nfs/dbraw/zinc/86/56/23/487865623.db2.gz ZTEUKKVPCQYJMC-SNVBAGLBSA-N 0 3 237.303 0.355 20 0 BCADHN COCc1n[nH]c(CN[C@@H]2CSC[C@H]2C)n1 ZINC000668510767 487868932 /nfs/dbraw/zinc/86/89/32/487868932.db2.gz ZRSNWFHXJKDLOH-HTQZYQBOSA-N 0 3 242.348 0.792 20 0 BCADHN COCc1nnc(C[NH2+]C[C@@H](C)COC)[n-]1 ZINC000668510560 487869834 /nfs/dbraw/zinc/86/98/34/487869834.db2.gz VJSABTURFVIMDT-MRVPVSSYSA-N 0 3 228.296 0.323 20 0 BCADHN CN1CCC[C@@H](NCc2cnc3cnccn23)C1 ZINC000676556570 487871761 /nfs/dbraw/zinc/87/17/61/487871761.db2.gz PNGXNIFFRVNNKY-LLVKDONJSA-N 0 3 245.330 0.913 20 0 BCADHN CN1CCC[C@H](NCc2cnc3cnccn23)C1 ZINC000676556571 487871868 /nfs/dbraw/zinc/87/18/68/487871868.db2.gz PNGXNIFFRVNNKY-NSHDSACASA-N 0 3 245.330 0.913 20 0 BCADHN CCn1cncc1CNC[C@@H]1CCC(=O)N1 ZINC000085184090 487872183 /nfs/dbraw/zinc/87/21/83/487872183.db2.gz KZPUKXAUCNEMRC-VIFPVBQESA-N 0 3 222.292 0.271 20 0 BCADHN C[C@H](c1ccncc1)N1CC[C@@H](CO)[C@H](O)C1 ZINC000676582497 487876008 /nfs/dbraw/zinc/87/60/08/487876008.db2.gz OYTFSAYNMMSGLJ-KGYLQXTDSA-N 0 3 236.315 0.818 20 0 BCADHN CCOCCCN1CC[C@H](CO)[C@H](O)C1 ZINC000676587296 487877723 /nfs/dbraw/zinc/87/77/23/487877723.db2.gz KKLVORBEGQIJTB-GHMZBOCLSA-N 0 3 217.309 0.088 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)N1CCCNCC1 ZINC000226706527 487879622 /nfs/dbraw/zinc/87/96/22/487879622.db2.gz GVXWDDBMOJVFOD-KXNHARMFSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@H](CO)CN1CCCN(C(=O)C2CC2)CC1 ZINC000682030725 487883250 /nfs/dbraw/zinc/88/32/50/487883250.db2.gz UEFIMEKLNMCVAG-NSHDSACASA-N 0 3 240.347 0.559 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N(C)[C@@H](C)CO)C1 ZINC000666922591 487884019 /nfs/dbraw/zinc/88/40/19/487884019.db2.gz UOFRVKGTBLPHPI-WDEREUQCSA-N 0 3 243.351 0.493 20 0 BCADHN COC[C@@](C)(CO)NC[C@@H]1CCCO1 ZINC000053199876 487884321 /nfs/dbraw/zinc/88/43/21/487884321.db2.gz RGDBPVMPZPZFNV-VHSXEESVSA-N 0 3 203.282 0.152 20 0 BCADHN CC(C)OCCN1CCN(CCO)C(C)(C)C1 ZINC000682035214 487886743 /nfs/dbraw/zinc/88/67/43/487886743.db2.gz ULEOHTTWBVCWPF-UHFFFAOYSA-N 0 3 244.379 0.800 20 0 BCADHN CC1(C)CN(CCCCCO)CCN1CCO ZINC000682035304 487887247 /nfs/dbraw/zinc/88/72/47/487887247.db2.gz KUMLXVVZHBKEEA-UHFFFAOYSA-N 0 3 244.379 0.538 20 0 BCADHN C[C@@H](CO)CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000682043370 487889190 /nfs/dbraw/zinc/88/91/90/487889190.db2.gz QUXMEBURZPFIHM-NEPJUHHUSA-N 0 3 244.379 0.392 20 0 BCADHN CC[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cnn(C)c1 ZINC000652257280 487893938 /nfs/dbraw/zinc/89/39/38/487893938.db2.gz PQTASBBPGUINKN-DVVUODLYSA-N 0 3 236.319 0.725 20 0 BCADHN CC[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1nccn1C ZINC000652258418 487895085 /nfs/dbraw/zinc/89/50/85/487895085.db2.gz RBWHREMQTSMHNC-KXUCPTDWSA-N 0 3 236.319 0.725 20 0 BCADHN COC[C@@H](C)CN1CC[C@](F)(CO)C1 ZINC000670273774 487897707 /nfs/dbraw/zinc/89/77/07/487897707.db2.gz WZRPUXUDHSBKCK-VHSXEESVSA-N 0 3 205.273 0.675 20 0 BCADHN C[C@H]1COCCCN1CCn1cncn1 ZINC000676713323 487900494 /nfs/dbraw/zinc/90/04/94/487900494.db2.gz GBOIAICTYCQNQI-JTQLQIEISA-N 0 3 210.281 0.389 20 0 BCADHN OCC(CO)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000229295093 487901581 /nfs/dbraw/zinc/90/15/81/487901581.db2.gz GLWQUHPPMWMLTI-LBPRGKRZSA-N 0 3 243.347 0.811 20 0 BCADHN CCn1cnc(C(=O)NC[C@H]2CCN(C)C2)c1 ZINC000666911571 487903432 /nfs/dbraw/zinc/90/34/32/487903432.db2.gz YKBOPPRPUKMHTJ-SNVBAGLBSA-N 0 3 236.319 0.585 20 0 BCADHN CCCN1CC[C@H](NC(=O)N(C)[C@H](C)CO)C1 ZINC000666922588 487905527 /nfs/dbraw/zinc/90/55/27/487905527.db2.gz UOFRVKGTBLPHPI-MNOVXSKESA-N 0 3 243.351 0.493 20 0 BCADHN CO[C@@H](C)[C@@H](C)NCC(=O)NC1CC1 ZINC000229375025 487906942 /nfs/dbraw/zinc/90/69/42/487906942.db2.gz RJNITSRAUNIOOH-SFYZADRCSA-N 0 3 200.282 0.278 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NCC(C)(C)O)C1 ZINC000666926765 487907115 /nfs/dbraw/zinc/90/71/15/487907115.db2.gz XLCBBGLMXPWIOO-SNVBAGLBSA-N 0 3 243.351 0.541 20 0 BCADHN CN(CCC(=O)N[C@@H]1CC[C@H]1O)c1ccncc1 ZINC000644818822 487907914 /nfs/dbraw/zinc/90/79/14/487907914.db2.gz KHFHJWMSYAXSEK-VXGBXAGGSA-N 0 3 249.314 0.547 20 0 BCADHN CCC[C@H](O)CC(=O)NC1CCN(C)CC1 ZINC000676735467 487908201 /nfs/dbraw/zinc/90/82/01/487908201.db2.gz AKAUSSYBZCGDBG-NSHDSACASA-N 0 3 228.336 0.748 20 0 BCADHN CCC[C@H](C)NC(=O)NCCNCCOC ZINC000668540942 487909255 /nfs/dbraw/zinc/90/92/55/487909255.db2.gz FXOXOTLOGFRVEG-JTQLQIEISA-N 0 3 231.340 0.710 20 0 BCADHN Cc1ccc([O-])c(CNC[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC000666945449 487910109 /nfs/dbraw/zinc/91/01/09/487910109.db2.gz QSMSIQWKFIZKGC-UWVGGRQHSA-N 0 3 239.294 0.885 20 0 BCADHN Cc1cn[nH]c1CN1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000668542439 487914759 /nfs/dbraw/zinc/91/47/59/487914759.db2.gz AMOALSKBQUFQMS-GHMZBOCLSA-N 0 3 248.330 0.819 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000668543599 487916256 /nfs/dbraw/zinc/91/62/56/487916256.db2.gz XNNLKJWWNQAANS-PWSUYJOCSA-N 0 3 248.330 0.819 20 0 BCADHN NCC(=O)NCC1(CO)CCCCC1 ZINC000157655787 487916513 /nfs/dbraw/zinc/91/65/13/487916513.db2.gz LCORVEWQGZOZIC-UHFFFAOYSA-N 0 3 200.282 0.004 20 0 BCADHN C[C@H](O)CCN(C)C(=O)C1(N)CCCC1 ZINC000157699048 487918903 /nfs/dbraw/zinc/91/89/03/487918903.db2.gz NJKIUNVRJOGVHI-VIFPVBQESA-N 0 3 214.309 0.487 20 0 BCADHN C[C@H]1CN(C(=O)C[C@H]2CCCO2)[C@@H](C)CN1 ZINC000226752156 487920795 /nfs/dbraw/zinc/92/07/95/487920795.db2.gz PNKMHHLJKXOPES-GARJFASQSA-N 0 3 226.320 0.764 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NCCC(N)=O ZINC000083569507 487922359 /nfs/dbraw/zinc/92/23/59/487922359.db2.gz FKGUVDXCVFDBHA-SSDOTTSWSA-N 0 3 210.281 0.255 20 0 BCADHN c1n[nH]c2c1CCN([C@H]1CCCOC1)C2 ZINC000676794719 487926573 /nfs/dbraw/zinc/92/65/73/487926573.db2.gz ZINXYFSZPKNDHM-JTQLQIEISA-N 0 3 207.277 0.947 20 0 BCADHN C[C@@H](C(=O)N1CC[C@H]2CCN(C)C[C@@H]21)N(C)C ZINC000679354769 487927168 /nfs/dbraw/zinc/92/71/68/487927168.db2.gz ZNHZVHLGTLQRJQ-TUAOUCFPSA-N 0 3 239.363 0.489 20 0 BCADHN CCN(CCCC(=O)N(C)C)CC(=O)N(C)C ZINC000653493537 487927663 /nfs/dbraw/zinc/92/76/63/487927663.db2.gz ZKSSJCDQPOBBLK-UHFFFAOYSA-N 0 3 243.351 0.265 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(C)C2)CO1 ZINC000682223917 487929427 /nfs/dbraw/zinc/92/94/27/487929427.db2.gz GNNNBULDRJUDSE-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@@H]1CN(C[C@@H](C)CO)C[C@@H](C)O1 ZINC000682221746 487929772 /nfs/dbraw/zinc/92/97/72/487929772.db2.gz KYUHCOCMESGIST-MXWKQRLJSA-N 0 3 217.309 0.351 20 0 BCADHN Cn1cc(CN2CCc3cn[nH]c3C2)cn1 ZINC000676794772 487931429 /nfs/dbraw/zinc/93/14/29/487931429.db2.gz WNRCEQJEGCCWCG-UHFFFAOYSA-N 0 3 217.276 0.702 20 0 BCADHN COC1CC(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)C1 ZINC000668560958 487935216 /nfs/dbraw/zinc/93/52/16/487935216.db2.gz ISRGVBSCXFBXJY-MFQSTILNSA-N 0 3 247.360 0.719 20 0 BCADHN CC(C)N(C)CC(=O)N1CCc2c[nH]nc2C1 ZINC000676830077 487935335 /nfs/dbraw/zinc/93/53/35/487935335.db2.gz WRLNDJQYJVBWEV-UHFFFAOYSA-N 0 3 236.319 0.635 20 0 BCADHN CS(=O)(=O)N1CC[C@H](CN2CC=CCC2)C1 ZINC000669932831 487936228 /nfs/dbraw/zinc/93/62/28/487936228.db2.gz NVNLTKATROFXHR-LLVKDONJSA-N 0 3 244.360 0.530 20 0 BCADHN COc1cc(CNC[C@](C)(O)CO)ccc1C ZINC000684536334 487936480 /nfs/dbraw/zinc/93/64/80/487936480.db2.gz AHYUCKKYTWJPNZ-ZDUSSCGKSA-N 0 3 239.315 0.837 20 0 BCADHN [NH3+]CC1(CC[N-]S(=O)(=O)c2ccco2)CC1 ZINC000652378867 487936873 /nfs/dbraw/zinc/93/68/73/487936873.db2.gz KBDXRYZORDIASY-UHFFFAOYSA-N 0 3 244.316 0.687 20 0 BCADHN CCC[C@@H](O)CC(=O)NCCN(C)C ZINC000676867672 487938733 /nfs/dbraw/zinc/93/87/33/487938733.db2.gz AHHMELZRPZOJJH-SECBINFHSA-N 0 3 202.298 0.215 20 0 BCADHN NC(=O)C[C@H]1CCN(Cc2cccnc2)C1 ZINC000676876382 487939446 /nfs/dbraw/zinc/93/94/46/487939446.db2.gz JYJIDGCOWQBHSM-SNVBAGLBSA-N 0 3 219.288 0.779 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@H](N)CC(C)C ZINC000158080140 487939098 /nfs/dbraw/zinc/93/90/98/487939098.db2.gz KINXGRBRBTXOTG-VHSXEESVSA-N 0 3 216.325 0.637 20 0 BCADHN NC(=O)C[C@@H]1CCN(Cc2cccnc2)C1 ZINC000676876381 487939806 /nfs/dbraw/zinc/93/98/06/487939806.db2.gz JYJIDGCOWQBHSM-JTQLQIEISA-N 0 3 219.288 0.779 20 0 BCADHN C[C@@H](O)CN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000495973674 533704542 /nfs/dbraw/zinc/70/45/42/533704542.db2.gz XWQMCSIFZBKFEI-RKDXNWHRSA-N 0 3 216.281 0.140 20 0 BCADHN CCOC1CCN(C(=O)C2(N)CC2)CC1 ZINC000083835307 487941165 /nfs/dbraw/zinc/94/11/65/487941165.db2.gz YFWWKLGXCAPZMC-UHFFFAOYSA-N 0 3 212.293 0.505 20 0 BCADHN CC1(C)CNCCN1C(=O)Cn1cccn1 ZINC000083842495 487941979 /nfs/dbraw/zinc/94/19/79/487941979.db2.gz 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247.298 0.838 20 0 BCADHN CCn1cccc(CNCC2(O)CCC2)c1=O ZINC000566124824 325999985 /nfs/dbraw/zinc/99/99/85/325999985.db2.gz NHOHYTRQJRYYQU-UHFFFAOYSA-N 0 3 236.315 0.873 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N1CCCCC1 ZINC000566151250 326003237 /nfs/dbraw/zinc/00/32/37/326003237.db2.gz CEGPFSWUMCINMU-SECBINFHSA-N 0 3 228.292 0.279 20 0 BCADHN Cc1cc(=O)[nH]cc1NC(=O)[C@@H]1C[C@@H]1N ZINC000566190063 326009510 /nfs/dbraw/zinc/00/95/10/326009510.db2.gz LBWPGUHLJYASKT-RQJHMYQMSA-N 0 3 207.233 0.381 20 0 BCADHN CCC[C@@H](C)[C@@H](CO)NCC(=O)NC ZINC000566303294 326031367 /nfs/dbraw/zinc/03/13/67/326031367.db2.gz GKYJLAKMAUIQII-RKDXNWHRSA-N 0 3 202.298 0.119 20 0 BCADHN CCN(C[C@@H]1CCCC[C@@H]1O)[C@H]1CCNC1=O ZINC000566306178 326031703 /nfs/dbraw/zinc/03/17/03/326031703.db2.gz IPRXRLOIBBQZRJ-SRVKXCTJSA-N 0 3 240.347 0.748 20 0 BCADHN CN1CCN(Cc2ncc[nH]2)CC1(C)C ZINC000566415944 326042712 /nfs/dbraw/zinc/04/27/12/326042712.db2.gz GUHMTZFYFVOPJV-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN CN(CCCc1cncn1C)[C@H]1CCNC1=O ZINC000566417635 326043244 /nfs/dbraw/zinc/04/32/44/326043244.db2.gz ZPBTVVGTKPUJIM-NSHDSACASA-N 0 3 236.319 0.173 20 0 BCADHN CC[C@@](C)(CO)C(=O)NCCN1CC[C@H](C)C1 ZINC000566444366 326048150 /nfs/dbraw/zinc/04/81/50/326048150.db2.gz DYBSYAQBZNKUKG-AAEUAGOBSA-N 0 3 242.363 0.853 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCO[C@@H](CF)C2)C1 ZINC000566465066 326051772 /nfs/dbraw/zinc/05/17/72/326051772.db2.gz HKEOMJWSVYWUDA-QWRGUYRKSA-N 0 3 244.310 0.525 20 0 BCADHN C[C@@H](C(=O)NCC1(N(C)C)CC1)N1CC(C)C1 ZINC000566467764 326052206 /nfs/dbraw/zinc/05/22/06/326052206.db2.gz YTTBEMXHAONWRQ-NSHDSACASA-N 0 3 239.363 0.537 20 0 BCADHN CN[C@H](C)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000566469185 326052678 /nfs/dbraw/zinc/05/26/78/326052678.db2.gz BSPQOXDUGHFSQZ-UTINFBMNSA-N 0 3 212.293 0.278 20 0 BCADHN CN[C@H](C)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000566469180 326052855 /nfs/dbraw/zinc/05/28/55/326052855.db2.gz BSPQOXDUGHFSQZ-KYXWUPHJSA-N 0 3 212.293 0.278 20 0 BCADHN N[C@H]1C[C@H]2CN(Cc3ccccc3)CCN2C1=O ZINC000566491383 326057839 /nfs/dbraw/zinc/05/78/39/326057839.db2.gz SOCGYPOKWCGMNB-STQMWFEESA-N 0 3 245.326 0.430 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000566618868 326068580 /nfs/dbraw/zinc/06/85/80/326068580.db2.gz LTXLVNZZVFNQSG-BBBLOLIVSA-N 0 3 214.309 0.798 20 0 BCADHN CN(C)C1(CNC(=O)c2cn3c(n2)CCC3)CC1 ZINC000566621265 326068979 /nfs/dbraw/zinc/06/89/79/326068979.db2.gz GAHDYHDCEAQTHA-UHFFFAOYSA-N 0 3 248.330 0.653 20 0 BCADHN Cc1cnccc1CNC(=O)CCOC1CNC1 ZINC000566677369 326073503 /nfs/dbraw/zinc/07/35/03/326073503.db2.gz TYWKFKRFFYYZRP-UHFFFAOYSA-N 0 3 249.314 0.385 20 0 BCADHN CC1(C)CCN(CC(=O)NCCCC(N)=O)C1 ZINC000566687315 326074750 /nfs/dbraw/zinc/07/47/50/326074750.db2.gz KBNVZTVQGTWTIA-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN CC[C@H](NC(=O)CNCCOC)[C@H]1CCCO1 ZINC000566862344 326087248 /nfs/dbraw/zinc/08/72/48/326087248.db2.gz CBEKLSPHJQLNSF-WDEREUQCSA-N 0 3 244.335 0.296 20 0 BCADHN CCCNC(=O)CCCN(C)[C@@H]1CCNC1=O ZINC000566863350 326089411 /nfs/dbraw/zinc/08/94/11/326089411.db2.gz SPEGLGKULJXWFN-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN CC[C@H](NC[C@@H](C)S(C)(=O)=O)[C@@H](C)O ZINC000566914901 326094043 /nfs/dbraw/zinc/09/40/43/326094043.db2.gz DQBYQEIATIENLS-HLTSFMKQSA-N 0 3 223.338 0.169 20 0 BCADHN COC(=O)[C@@H](O)CNC[C@H](O)C1CCCCC1 ZINC000566914866 326094147 /nfs/dbraw/zinc/09/41/47/326094147.db2.gz BOPUDMRJNWCWKB-QWRGUYRKSA-N 0 3 245.319 0.051 20 0 BCADHN Cn1cncc1CNCCN1CCCC1=O ZINC000405412776 326113202 /nfs/dbraw/zinc/11/32/02/326113202.db2.gz NFAAEIGESOGFKM-UHFFFAOYSA-N 0 3 222.292 0.132 20 0 BCADHN C[C@H](N)C(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000307597675 326114340 /nfs/dbraw/zinc/11/43/40/326114340.db2.gz ODMPYGMWCHECDF-CIUDSAMLSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)CNC1CC1 ZINC000567164872 326127187 /nfs/dbraw/zinc/12/71/87/326127187.db2.gz CGXTUBZZBHSBJQ-ABFUHYCJSA-N 0 3 244.360 0.106 20 0 BCADHN CC(C(=O)N(C)CCC1CC1)S(C)(=O)=O ZINC000154146713 326132577 /nfs/dbraw/zinc/13/25/77/326132577.db2.gz SHBNILQFCQBUAV-QMMMGPOBSA-N 0 3 233.333 0.678 20 0 BCADHN CC[C@@H]1CN(C(=O)CNC2CC2)C[C@@H](C)O1 ZINC000154321808 326139780 /nfs/dbraw/zinc/13/97/80/326139780.db2.gz YEJAGGBANJWSLJ-MWLCHTKSSA-N 0 3 226.320 0.764 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N[C@H]1C[C@H](O)C1(C)C ZINC000567246868 326149994 /nfs/dbraw/zinc/14/99/94/326149994.db2.gz XTGJQMXNKJLNIN-DCAQKATOSA-N 0 3 242.363 0.991 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](C)Cn1cccn1 ZINC000154553866 326150434 /nfs/dbraw/zinc/15/04/34/326150434.db2.gz DNUHMDDWIGXAFD-ZJUUUORDSA-N 0 3 224.308 0.373 20 0 BCADHN C[C@@H]1C[C@@H](N[C@H](Cc2ccccc2)C(N)=O)CO1 ZINC000567270930 326153822 /nfs/dbraw/zinc/15/38/22/326153822.db2.gz UXDYTNCHUVMPPC-RAIGVLPGSA-N 0 3 248.326 0.850 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)C(C)C)on1 ZINC000567350215 326170733 /nfs/dbraw/zinc/17/07/33/326170733.db2.gz ZDZDZAFSRAOYKJ-JTQLQIEISA-N 0 3 225.292 0.837 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000567367140 326175966 /nfs/dbraw/zinc/17/59/66/326175966.db2.gz VRXXFUMZFFRSNX-VIFPVBQESA-N 0 3 245.286 0.814 20 0 BCADHN C[C@H]1CC(NC(=O)NCCN(C)C)C[C@H](C)O1 ZINC000154981502 326177474 /nfs/dbraw/zinc/17/74/74/326177474.db2.gz OSXVQEWTVNYKRY-UWVGGRQHSA-N 0 3 243.351 0.803 20 0 BCADHN Cc1noc([C@H](C)N(C)C(=O)CNC(C)C)n1 ZINC000567408710 326183984 /nfs/dbraw/zinc/18/39/84/326183984.db2.gz AHBHMFIGQNCWMY-QMMMGPOBSA-N 0 3 240.307 0.895 20 0 BCADHN CCN(C)C(=O)CNC[C@@H](O)CCC(C)C ZINC000567583154 326222996 /nfs/dbraw/zinc/22/29/96/326222996.db2.gz XFFZUAFUBCWCJW-NSHDSACASA-N 0 3 230.352 0.851 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CO[C@H](C)C1 ZINC000567615660 326229901 /nfs/dbraw/zinc/22/99/01/326229901.db2.gz CKQRJEURLARHJU-APPZFPTMSA-N 0 3 223.276 0.554 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@H](C)C(=O)N(C)C ZINC000567722357 326250880 /nfs/dbraw/zinc/25/08/80/326250880.db2.gz BBZSFGZASYZVLT-HRDYMLBCSA-N 0 3 216.350 0.947 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2occc2N)C1 ZINC000313138970 326257752 /nfs/dbraw/zinc/25/77/52/326257752.db2.gz KGLFGZZBVMRJOL-VIFPVBQESA-N 0 3 237.303 0.933 20 0 BCADHN Cc1ncccc1CN1CC[C@@H](C(N)=O)C1 ZINC000157203442 326261551 /nfs/dbraw/zinc/26/15/51/326261551.db2.gz BDEZZWFDLKCUQT-LLVKDONJSA-N 0 3 219.288 0.697 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000567896821 326278842 /nfs/dbraw/zinc/27/88/42/326278842.db2.gz QECXARJSUCARJI-MRVPVSSYSA-N 0 3 248.286 0.622 20 0 BCADHN CC(=O)Nc1ncccc1NC(=O)[C@H]1CCN1 ZINC000567909756 326281480 /nfs/dbraw/zinc/28/14/80/326281480.db2.gz RPGCRUHBALZEQB-SECBINFHSA-N 0 3 234.259 0.340 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)[C@H](N)CC(F)F ZINC000567907877 326281612 /nfs/dbraw/zinc/28/16/12/326281612.db2.gz DGGWBGBMYRMYQO-RKDXNWHRSA-N 0 3 249.305 0.569 20 0 BCADHN C[C@@]1(C(=O)[N-]c2nnc3ccccn32)CCC[NH2+]1 ZINC000567972678 326289829 /nfs/dbraw/zinc/28/98/29/326289829.db2.gz GVCHCNKMHBMRCY-LBPRGKRZSA-N 0 3 245.286 0.810 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000568211876 326326981 /nfs/dbraw/zinc/32/69/81/326326981.db2.gz MBPNFQRNTNFSAN-UWVGGRQHSA-N 0 3 238.335 0.655 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCC2(CO)CC2)C1 ZINC000568227129 326329245 /nfs/dbraw/zinc/32/92/45/326329245.db2.gz RXLPZUKTZCONPY-LLVKDONJSA-N 0 3 240.347 0.607 20 0 BCADHN Cc1ncc(CNCCC[S@@](C)=O)n1C ZINC000568273044 326339275 /nfs/dbraw/zinc/33/92/75/326339275.db2.gz ICBWNXQXUMFMGT-OAHLLOKOSA-N 0 3 229.349 0.587 20 0 BCADHN Cc1ncc(CNC[C@H](O)C(C)C)n1C ZINC000568273205 326339429 /nfs/dbraw/zinc/33/94/29/326339429.db2.gz MSOHOJQSWCHCNH-NSHDSACASA-N 0 3 211.309 0.835 20 0 BCADHN N[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)C1CCC1 ZINC000568407110 326354942 /nfs/dbraw/zinc/35/49/42/326354942.db2.gz PPAWZSTZAFJLOZ-TUAOUCFPSA-N 0 3 237.347 0.467 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000568531397 326364126 /nfs/dbraw/zinc/36/41/26/326364126.db2.gz CITFBAPGBVMTIP-CBAPKCEASA-N 0 3 239.319 0.947 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000568654396 326371467 /nfs/dbraw/zinc/37/14/67/326371467.db2.gz PQGMNMOAYJKPPG-UFBFGSQYSA-N 0 3 233.315 0.980 20 0 BCADHN CCn1nnc(C)c1CNCCCN1CCC1 ZINC000568663333 326372057 /nfs/dbraw/zinc/37/20/57/326372057.db2.gz ZNSSPMYRKFQRRP-UHFFFAOYSA-N 0 3 237.351 0.792 20 0 BCADHN CCSCCN1CC[C@H](CO)[C@H](O)C1 ZINC000568676185 326372244 /nfs/dbraw/zinc/37/22/44/326372244.db2.gz AIUHUHYYXYFSPJ-NXEZZACHSA-N 0 3 219.350 0.415 20 0 BCADHN Cc1nn(C)c(NC(=O)CNC2CC2)c1C ZINC000568741834 326374139 /nfs/dbraw/zinc/37/41/39/326374139.db2.gz KKKLFLGVGPPUNL-UHFFFAOYSA-N 0 3 222.292 0.727 20 0 BCADHN NC(=O)NC(=O)CCNCc1ccc(O)cc1 ZINC000568740282 326374242 /nfs/dbraw/zinc/37/42/42/326374242.db2.gz DUSCZONGUKFWSG-UHFFFAOYSA-N 0 3 237.259 0.067 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)CC2(O)CCC2)C1 ZINC000568762888 326375752 /nfs/dbraw/zinc/37/57/52/326375752.db2.gz LSDALUDSKQVYFF-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN COC(=O)[C@H]1CN(C)CCN(CC2(F)CC2)C1 ZINC000568962099 326383782 /nfs/dbraw/zinc/38/37/82/326383782.db2.gz QWIHNLKVOJAKND-JTQLQIEISA-N 0 3 244.310 0.525 20 0 BCADHN Cn1ccnc1CNCCCN1CCC1 ZINC000569138645 326392658 /nfs/dbraw/zinc/39/26/58/326392658.db2.gz POGBILHQGQWUNP-UHFFFAOYSA-N 0 3 208.309 0.606 20 0 BCADHN CCn1cc(CN(C)C(=O)C2(N)CCC2)cn1 ZINC000569218171 326395403 /nfs/dbraw/zinc/39/54/03/326395403.db2.gz TWHMQTSWUWPUIF-UHFFFAOYSA-N 0 3 236.319 0.743 20 0 BCADHN CN1CCC[C@@H](N[C@H]2COCC2(C)C)C1=O ZINC000569316706 326399846 /nfs/dbraw/zinc/39/98/46/326399846.db2.gz WJDBRFZAWQEOCX-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN CCc1cc(N2CC[C@H](CO)[C@@H](O)C2)ccn1 ZINC000572829268 326413364 /nfs/dbraw/zinc/41/33/64/326413364.db2.gz QXLXDDNHFMQAKU-MFKMUULPSA-N 0 3 236.315 0.824 20 0 BCADHN CN(C)Cc1ccc(CNC(=O)CN)cc1F ZINC000573207693 326435350 /nfs/dbraw/zinc/43/53/50/326435350.db2.gz GRWHLTSXPHLLAE-UHFFFAOYSA-N 0 3 239.294 0.462 20 0 BCADHN CCO[C@@H]1C[C@@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000573278018 326439456 /nfs/dbraw/zinc/43/94/56/326439456.db2.gz RYKWFCSPJZSJPH-LPEHRKFASA-N 0 3 229.324 0.413 20 0 BCADHN NCC(=O)N[C@H]1CNc2ccccc2C1 ZINC000653204664 487974910 /nfs/dbraw/zinc/97/49/10/487974910.db2.gz BLQQYOXUQQUYSL-SECBINFHSA-N 0 3 205.261 0.098 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H](CO)CC1)N(C)C ZINC000340981689 487979924 /nfs/dbraw/zinc/97/99/24/487979924.db2.gz CABNIHOAWFNSMF-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN CCCC[C@H](COC)N[C@@H]1COC[C@@H]1O ZINC000134398242 487981296 /nfs/dbraw/zinc/98/12/96/487981296.db2.gz WGWCIWJGAPIUEQ-MXWKQRLJSA-N 0 3 217.309 0.541 20 0 BCADHN CNC(=O)[C@H](C)CN(C)Cc1ccc(N)nc1 ZINC000220384108 487982073 /nfs/dbraw/zinc/98/20/73/487982073.db2.gz MLTOAWKXQYIKNJ-SECBINFHSA-N 0 3 236.319 0.478 20 0 BCADHN Cc1cc(C)c(C(=O)N[C@@H](CO)CN(C)C)o1 ZINC000673522305 487984844 /nfs/dbraw/zinc/98/48/44/487984844.db2.gz GKCHWXSVIAPUPU-SNVBAGLBSA-N 0 3 240.303 0.549 20 0 BCADHN C[C@H](C(=O)N[C@@H](CO)CN(C)C)C1CC1 ZINC000673522454 487985667 /nfs/dbraw/zinc/98/56/67/487985667.db2.gz QGRNGXHPVMZNKR-WCBMZHEXSA-N 0 3 214.309 0.071 20 0 BCADHN CC(C)OC1CC(N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000186594763 487988147 /nfs/dbraw/zinc/98/81/47/487988147.db2.gz BYLOFBQQENEVPU-KPPDAEKUSA-N 0 3 247.360 0.719 20 0 BCADHN O=C(CN1CCNCC1)N[C@@H]1CC=CCC1 ZINC000084067380 487991556 /nfs/dbraw/zinc/99/15/56/487991556.db2.gz IGPJVTMAARXHIZ-LLVKDONJSA-N 0 3 223.320 0.117 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)c1ccccc1 ZINC000673522737 487992769 /nfs/dbraw/zinc/99/27/69/487992769.db2.gz NHHYLIKJNXRUDU-NSHDSACASA-N 0 3 222.288 0.339 20 0 BCADHN CCN1CCN(CCN2CCCC2=O)C[C@@H]1C ZINC000677191262 487994886 /nfs/dbraw/zinc/99/48/86/487994886.db2.gz DVMNGDPKPLKLTP-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CCN(CC)CC(=O)N1CCO[C@H](OC)C1 ZINC000682596143 487996253 /nfs/dbraw/zinc/99/62/53/487996253.db2.gz DPQGDTNXFFMYMT-NSHDSACASA-N 0 3 230.308 0.160 20 0 BCADHN CCN1CC[C@H](N[C@H]2C[C@@H](O)C2(C)C)C1=O ZINC000309640055 487996731 /nfs/dbraw/zinc/99/67/31/487996731.db2.gz KOLOWRHCYGVHRQ-LPEHRKFASA-N 0 3 226.320 0.356 20 0 BCADHN CC(C)(C)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC000220761488 487998053 /nfs/dbraw/zinc/99/80/53/487998053.db2.gz OOAKHKZGIDNBPU-SECBINFHSA-N 0 3 234.365 0.656 20 0 BCADHN CC(C)(CO)N1CCN(CCCCCO)CC1 ZINC000673897114 487999220 /nfs/dbraw/zinc/99/92/20/487999220.db2.gz LLCZCHJBPMSPDK-UHFFFAOYSA-N 0 3 244.379 0.538 20 0 BCADHN CCN1CCN(Cc2cnn(C)c2)C[C@H]1C ZINC000677197256 488000703 /nfs/dbraw/zinc/00/07/03/488000703.db2.gz YFKGVKNLAXTLEA-LLVKDONJSA-N 0 3 222.336 0.946 20 0 BCADHN CCCCNC(=O)Cn1cc([C@@H](N)CC)nn1 ZINC000229935118 488001023 /nfs/dbraw/zinc/00/10/23/488001023.db2.gz UVJUMBYLGRLRCE-VIFPVBQESA-N 0 3 239.323 0.604 20 0 BCADHN CCN1CCN(Cc2ccn(C)c(=O)c2)C[C@@H]1C ZINC000677195854 488001056 /nfs/dbraw/zinc/00/10/56/488001056.db2.gz WWCLBXVJJZEYSL-LBPRGKRZSA-N 0 3 249.358 0.911 20 0 BCADHN CC[C@H](N)c1cn(C[C@@H](O)C(F)(F)F)nn1 ZINC000229935852 488001694 /nfs/dbraw/zinc/00/16/94/488001694.db2.gz RPSFDGJMDNLAPJ-CAHLUQPWSA-N 0 3 238.213 0.611 20 0 BCADHN CC[C@@H](N)c1cn(C[C@@H](O)COC(C)C)nn1 ZINC000229935865 488001734 /nfs/dbraw/zinc/00/17/34/488001734.db2.gz AHIFSBOVBIRANY-NXEZZACHSA-N 0 3 242.323 0.474 20 0 BCADHN CCN(C#N)CCN1CCC[C@H]1COC ZINC000602917168 488002211 /nfs/dbraw/zinc/00/22/11/488002211.db2.gz YKQZQCUBFHBBOT-NSHDSACASA-N 0 3 211.309 0.900 20 0 BCADHN C[C@H](CNC(=O)Cc1cncc([O-])c1)[NH+](C)C ZINC000655390305 488002092 /nfs/dbraw/zinc/00/20/92/488002092.db2.gz LAVURRWKHILEMN-SECBINFHSA-N 0 3 237.303 0.396 20 0 BCADHN COc1c(N)ncnc1N[C@@H]1CCN(C2CC2)C1 ZINC000134866499 488003219 /nfs/dbraw/zinc/00/32/19/488003219.db2.gz HUFVFYDARYJDPP-MRVPVSSYSA-N 0 3 249.318 0.716 20 0 BCADHN OC[C@@H](CC1CC1)NCc1cnc2cnccn12 ZINC000677245402 488004996 /nfs/dbraw/zinc/00/49/96/488004996.db2.gz NNRATKWKSJDFLZ-LLVKDONJSA-N 0 3 246.314 0.980 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)CC(C)(C)C ZINC000673523564 488006523 /nfs/dbraw/zinc/00/65/23/488006523.db2.gz YRQPGMUDWWNSNA-SECBINFHSA-N 0 3 216.325 0.461 20 0 BCADHN CCC[C@@H](N)c1cn(C[C@@H](O)COCC)nn1 ZINC000229957387 488010095 /nfs/dbraw/zinc/01/00/95/488010095.db2.gz ZDJNEVGTAFMNAU-NXEZZACHSA-N 0 3 242.323 0.475 20 0 BCADHN Cn1ccc(CN[C@H]2CCc3c(nnn3C)C2)n1 ZINC000655842619 488012555 /nfs/dbraw/zinc/01/25/55/488012555.db2.gz PIYROJTXVPXYKG-VIFPVBQESA-N 0 3 246.318 0.196 20 0 BCADHN C[C@H](CO)C1CCN(C(=O)C2(N)CCC2)CC1 ZINC000653252799 488012588 /nfs/dbraw/zinc/01/25/88/488012588.db2.gz XLUZZARMIOFDBY-SNVBAGLBSA-N 0 3 240.347 0.735 20 0 BCADHN C[C@@H]1C[C@H](N(C)C(=O)c2ncc[nH]2)CCN1C ZINC000669126003 488014472 /nfs/dbraw/zinc/01/44/72/488014472.db2.gz SEMAWUNQWQSSKG-NXEZZACHSA-N 0 3 236.319 0.964 20 0 BCADHN CNCC(=O)NCC[C@H]1CCCCO1 ZINC000224109270 488016163 /nfs/dbraw/zinc/01/61/63/488016163.db2.gz OKPGUULCDQVGRU-SECBINFHSA-N 0 3 200.282 0.281 20 0 BCADHN C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1c[n-]nn1 ZINC000682689461 488017918 /nfs/dbraw/zinc/01/79/18/488017918.db2.gz BSKFCYUJYSYVTM-VXNVDRBHSA-N 0 3 223.280 0.017 20 0 BCADHN C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cnn[n-]1 ZINC000682689461 488017921 /nfs/dbraw/zinc/01/79/21/488017921.db2.gz BSKFCYUJYSYVTM-VXNVDRBHSA-N 0 3 223.280 0.017 20 0 BCADHN C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cn[n-]n1 ZINC000682689461 488017923 /nfs/dbraw/zinc/01/79/23/488017923.db2.gz BSKFCYUJYSYVTM-VXNVDRBHSA-N 0 3 223.280 0.017 20 0 BCADHN CC[C@H](CO)N1CCN(C[C@@H](C)CO)CC1 ZINC000121078037 490074389 /nfs/dbraw/zinc/07/43/89/490074389.db2.gz LTZRCYMXXVFTLM-VXGBXAGGSA-N 0 3 230.352 0.003 20 0 BCADHN C[C@H](CC(N)=O)NCc1ccc(O)cc1 ZINC000129340365 490074467 /nfs/dbraw/zinc/07/44/67/490074467.db2.gz BZBOWXBWXDUBBO-MRVPVSSYSA-N 0 3 208.261 0.746 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000257361998 488020143 /nfs/dbraw/zinc/02/01/43/488020143.db2.gz LVQYSQBKRRJDIT-JLIMGVALSA-N 0 3 210.277 0.114 20 0 BCADHN NC[C@H](NC(=O)NCCCF)C(F)(F)F ZINC000655919878 488021433 /nfs/dbraw/zinc/02/14/33/488021433.db2.gz GCZNSUAEXUEHKZ-YFKPBYRVSA-N 0 3 231.193 0.535 20 0 BCADHN CO[C@H](C)CNC(=O)N[C@H](CN)C(F)(F)F ZINC000655929347 488022288 /nfs/dbraw/zinc/02/22/88/488022288.db2.gz SQZXVUNPWLYPFQ-PHDIDXHHSA-N 0 3 243.229 0.210 20 0 BCADHN C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N(C)C ZINC000159350335 488022589 /nfs/dbraw/zinc/02/25/89/488022589.db2.gz PPOUUKQZNXYOIC-GARJFASQSA-N 0 3 225.336 0.289 20 0 BCADHN CC1(C)C[C@@H](NC2COCCOC2)CO1 ZINC000396811383 488022748 /nfs/dbraw/zinc/02/27/48/488022748.db2.gz COCFXISSECDNNC-SECBINFHSA-N 0 3 215.293 0.559 20 0 BCADHN COCC[C@@H](C)NC(=O)[C@@H]1NCC1(C)C ZINC000309660182 488026945 /nfs/dbraw/zinc/02/69/45/488026945.db2.gz XKSMSOADTXZGAA-BDAKNGLRSA-N 0 3 214.309 0.526 20 0 BCADHN CCC[C@H](N)c1cn([C@H](CC)C(N)=O)nn1 ZINC000229972778 488028397 /nfs/dbraw/zinc/02/83/97/488028397.db2.gz HCLSWJJYEUXGLW-IONNQARKSA-N 0 3 225.296 0.514 20 0 BCADHN CCC[C@H](N)c1cn(CC(=O)N(C)C)nn1 ZINC000229971687 488030331 /nfs/dbraw/zinc/03/03/31/488030331.db2.gz SIHSWRLCSBTZHQ-QMMMGPOBSA-N 0 3 225.296 0.166 20 0 BCADHN C[C@H](CNC(=O)c1ccnnc1)N1CCCC1 ZINC000677399188 488029872 /nfs/dbraw/zinc/02/98/72/488029872.db2.gz UMZUOQGOSHCAIE-SNVBAGLBSA-N 0 3 234.303 0.691 20 0 BCADHN CCC[C@H](N)c1cn(CCn2cccn2)nn1 ZINC000229971614 488030181 /nfs/dbraw/zinc/03/01/81/488030181.db2.gz JZOOKLXANKOPQM-JTQLQIEISA-N 0 3 234.307 0.975 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](C)N)[C@@H]1CCCCO1 ZINC000655525359 488031281 /nfs/dbraw/zinc/03/12/81/488031281.db2.gz OHBHEBBJESMTGK-BBBLOLIVSA-N 0 3 214.309 0.798 20 0 BCADHN CCCCN(C)CCNC(=O)[C@H](O)C1CC1 ZINC000668638831 488039703 /nfs/dbraw/zinc/03/97/03/488039703.db2.gz QPFDKGSLQRGQNQ-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CCCCN(C)CCNC(=O)[C@@H](COC)OC ZINC000668638999 488039841 /nfs/dbraw/zinc/03/98/41/488039841.db2.gz RXWMNQPHVBTBSI-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN C[C@H](O)CN(C)CCO[C@@H]1CC1(F)F ZINC000659952582 488042310 /nfs/dbraw/zinc/04/23/10/488042310.db2.gz JRTRRMKJUODCOZ-JGVFFNPUSA-N 0 3 209.236 0.723 20 0 BCADHN CO[C@@H]1CCC[C@H]1NCC(=O)N(C)C ZINC000050373770 488042595 /nfs/dbraw/zinc/04/25/95/488042595.db2.gz CBGRBBUCGJLEQV-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN CN(C)c1ccc(NC(=O)C2(N)CCC2)cn1 ZINC000147661623 488044175 /nfs/dbraw/zinc/04/41/75/488044175.db2.gz ZYBAKVBEGKJQBQ-UHFFFAOYSA-N 0 3 234.303 0.968 20 0 BCADHN C[C@H]1CCCN(C(=O)COC2(C)CNC2)C1 ZINC000165823018 488044250 /nfs/dbraw/zinc/04/42/50/488044250.db2.gz HPSWNUSHGBFPFD-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN CN(CC(F)F)C(=O)COC1(C)CNC1 ZINC000165838427 488045176 /nfs/dbraw/zinc/04/51/76/488045176.db2.gz RJHCZYYYUGVEEW-UHFFFAOYSA-N 0 3 222.235 0.088 20 0 BCADHN CC[C@@H](C)[C@H](C)NC(=O)COC1(C)CNC1 ZINC000165836503 488045342 /nfs/dbraw/zinc/04/53/42/488045342.db2.gz KVHNHFXXHODBEZ-ZJUUUORDSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@H]1CCCN1C(=O)COC1(C)CNC1 ZINC000165842703 488045405 /nfs/dbraw/zinc/04/54/05/488045405.db2.gz URKIQECTKUVKPS-VIFPVBQESA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@@H](C)N(C)C(=O)COC1(C)CNC1 ZINC000165834844 488045416 /nfs/dbraw/zinc/04/54/16/488045416.db2.gz BBMUVCVOBXMOAW-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H]1C[C@@H]1CNC(=O)COC1(C)CNC1 ZINC000165830855 488045436 /nfs/dbraw/zinc/04/54/36/488045436.db2.gz GGIKZZYRLDYFDF-DTWKUNHWSA-N 0 3 212.293 0.137 20 0 BCADHN COC[C@H](OC)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000669179317 488044968 /nfs/dbraw/zinc/04/49/68/488044968.db2.gz WLMPCTQVYWJZQD-QWRGUYRKSA-N 0 3 244.335 0.200 20 0 BCADHN CN(C(=O)[C@H](O)C1CC1)[C@H]1CCCN(C)C1 ZINC000669179297 488045376 /nfs/dbraw/zinc/04/53/76/488045376.db2.gz WAXRGYAOQSSELF-WDEREUQCSA-N 0 3 226.320 0.310 20 0 BCADHN COC[C@H](OC)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000669179316 488045537 /nfs/dbraw/zinc/04/55/37/488045537.db2.gz WLMPCTQVYWJZQD-MNOVXSKESA-N 0 3 244.335 0.200 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)COC1(C)CNC1 ZINC000165830977 488045985 /nfs/dbraw/zinc/04/59/85/488045985.db2.gz GGIKZZYRLDYFDF-BDAKNGLRSA-N 0 3 212.293 0.137 20 0 BCADHN C[C@H]1CN(C(=O)COC2(C)CNC2)C[C@H]1C ZINC000165848350 488046835 /nfs/dbraw/zinc/04/68/35/488046835.db2.gz VJMGDLIOTDRVEU-AOOOYVTPSA-N 0 3 226.320 0.479 20 0 BCADHN COCCOCCN1CCC[C@](CO)(OC)C1 ZINC000401718325 488052174 /nfs/dbraw/zinc/05/21/74/488052174.db2.gz MGJWPKMFCXBMJZ-LBPRGKRZSA-N 0 3 247.335 0.123 20 0 BCADHN Cn1nccc1C(=O)N[C@H](CN)C(F)(F)F ZINC000401714285 488052472 /nfs/dbraw/zinc/05/24/72/488052472.db2.gz KFJLLHBDKCROKP-ZCFIWIBFSA-N 0 3 236.197 0.040 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H](O)C2CC2)CCN1C ZINC000669184206 488054007 /nfs/dbraw/zinc/05/40/07/488054007.db2.gz XKRKILPFJXRVHM-IEBDPFPHSA-N 0 3 226.320 0.356 20 0 BCADHN O=C1C[C@@H](CNCc2ncc[nH]2)CN1C1CC1 ZINC000651992767 488054123 /nfs/dbraw/zinc/05/41/23/488054123.db2.gz FLCHINRMIKRCKN-VIFPVBQESA-N 0 3 234.303 0.510 20 0 BCADHN CNCc1cn(CCN2CCCC2)nn1 ZINC000052377435 488054846 /nfs/dbraw/zinc/05/48/46/488054846.db2.gz FBAFZVOGOYWIPC-UHFFFAOYSA-N 0 3 209.297 0.093 20 0 BCADHN CO[C@@]1(CO)CCCN([C@H]2CCCOC2)C1 ZINC000401728907 488058086 /nfs/dbraw/zinc/05/80/86/488058086.db2.gz SLOXCWBMQKYLQT-RYUDHWBXSA-N 0 3 229.320 0.639 20 0 BCADHN NC[C@H](NC(=O)c1cccnc1)C(F)(F)F ZINC000401737260 488060186 /nfs/dbraw/zinc/06/01/86/488060186.db2.gz ZKWBHRREKQACNC-ZETCQYMHSA-N 0 3 233.193 0.701 20 0 BCADHN CCCn1nccc1CNCC[C@H](O)COC ZINC000230142227 488062917 /nfs/dbraw/zinc/06/29/17/488062917.db2.gz FQHLHFZRFWEDCZ-LBPRGKRZSA-N 0 3 241.335 0.780 20 0 BCADHN O=C(NCCCCO)[C@@H]1CCCCN1 ZINC000236493442 488064535 /nfs/dbraw/zinc/06/45/35/488064535.db2.gz WVIGRLZJUKVXQO-VIFPVBQESA-N 0 3 200.282 0.017 20 0 BCADHN COC[C@H](C)CC(=O)N[C@H](CN)C(F)(F)F ZINC000401765803 488065524 /nfs/dbraw/zinc/06/55/24/488065524.db2.gz YJNXVKVFEFAQFZ-RNFRBKRXSA-N 0 3 242.241 0.665 20 0 BCADHN Cc1cnc(C(=O)N[C@@H](CN)C(F)(F)F)cn1 ZINC000401795927 488068744 /nfs/dbraw/zinc/06/87/44/488068744.db2.gz JHFBAZUVTYRJBO-ZETCQYMHSA-N 0 3 248.208 0.404 20 0 BCADHN O=C1C[C@@H](NC[C@@H](O)C(F)(F)F)CCCN1 ZINC000236536504 488070368 /nfs/dbraw/zinc/07/03/68/488070368.db2.gz DZPHPDRIKZGCEH-NKWVEPMBSA-N 0 3 240.225 0.168 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cnco2)CCN1C ZINC000677557163 488073057 /nfs/dbraw/zinc/07/30/57/488073057.db2.gz NPNALLGRNUKWKN-BDAKNGLRSA-N 0 3 223.276 0.887 20 0 BCADHN CCCNC(=O)CN1CC[C@]2(CCOC2)C1 ZINC000153913253 488073126 /nfs/dbraw/zinc/07/31/26/488073126.db2.gz LIZJRRWTNXQSOV-LBPRGKRZSA-N 0 3 226.320 0.625 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@@H](OC)C1 ZINC000230246347 488078061 /nfs/dbraw/zinc/07/80/61/488078061.db2.gz QDHMZNPHOWRRAM-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CCCN1CC[C@@H](Nc2cnccn2)C1 ZINC000389164271 488079280 /nfs/dbraw/zinc/07/92/80/488079280.db2.gz MHMXVTSTUOJDII-SNVBAGLBSA-N 0 3 206.293 0.795 20 0 BCADHN Cc1cc(CO)cc(N(C)CCN(C)C)n1 ZINC000166425469 488082318 /nfs/dbraw/zinc/08/23/18/488082318.db2.gz VWRGRZHPOKMXMA-UHFFFAOYSA-N 0 3 223.320 0.880 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)CCCCO ZINC000092174330 488084930 /nfs/dbraw/zinc/08/49/30/488084930.db2.gz FTTCXTPVCBGYPB-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)CCCCO ZINC000092174328 488084751 /nfs/dbraw/zinc/08/47/51/488084751.db2.gz FTTCXTPVCBGYPB-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN C[C@@]1(O)CCN(Cc2cnn3c2CCC3)C1 ZINC000667688591 488088124 /nfs/dbraw/zinc/08/81/24/488088124.db2.gz XUAFFAVXASNKJF-GFCCVEGCSA-N 0 3 221.304 0.786 20 0 BCADHN CN(CC[C@H]1CCS(=O)(=O)C1)CC(C)(C)O ZINC000677685937 488092422 /nfs/dbraw/zinc/09/24/22/488092422.db2.gz LPLDCWIDADMCHA-JTQLQIEISA-N 0 3 249.376 0.514 20 0 BCADHN Cc1cncc(CCn2cc(C(C)(C)N)nn2)n1 ZINC000402614481 488096534 /nfs/dbraw/zinc/09/65/34/488096534.db2.gz QTYNXCDMRYWNCJ-UHFFFAOYSA-N 0 3 246.318 0.813 20 0 BCADHN NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000258069554 488097542 /nfs/dbraw/zinc/09/75/42/488097542.db2.gz DGDRGTOTSWQFST-SNVBAGLBSA-N 0 3 221.260 0.838 20 0 BCADHN C[C@@H]1CC(=O)NCCN1C[C@@H]1CCCO1 ZINC000677714783 488097909 /nfs/dbraw/zinc/09/79/09/488097909.db2.gz IGLSWAOXIFVJLM-ZJUUUORDSA-N 0 3 212.293 0.376 20 0 BCADHN CCOCCCN1CCNC(=O)C[C@@H]1C ZINC000677714509 488097945 /nfs/dbraw/zinc/09/79/45/488097945.db2.gz CAUSWDVZEXQLTE-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN Cc1ccnc(CN(C[C@H](C)O)[C@@H](C)CO)c1 ZINC000683029572 488100214 /nfs/dbraw/zinc/10/02/14/488100214.db2.gz LTMUCBRNQIUBAF-RYUDHWBXSA-N 0 3 238.331 0.954 20 0 BCADHN Cc1ccnc(CN(C[C@H](C)O)[C@H](C)CO)c1 ZINC000683029570 488101027 /nfs/dbraw/zinc/10/10/27/488101027.db2.gz LTMUCBRNQIUBAF-NEPJUHHUSA-N 0 3 238.331 0.954 20 0 BCADHN CN1CC[C@@H](N2CCC3(CCOC3)CC2)C1=O ZINC000677720862 488101337 /nfs/dbraw/zinc/10/13/37/488101337.db2.gz QXFRRAZSTIMVCU-LLVKDONJSA-N 0 3 238.331 0.720 20 0 BCADHN COCC1(N(C)CCOCCO)CC1 ZINC000677727785 488105083 /nfs/dbraw/zinc/10/50/83/488105083.db2.gz GYVMGJUWLLINRG-UHFFFAOYSA-N 0 3 203.282 0.106 20 0 BCADHN CCCN1CC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000389706384 488106896 /nfs/dbraw/zinc/10/68/96/488106896.db2.gz DEZBLWVLAXXFQO-GHMZBOCLSA-N 0 3 241.379 0.960 20 0 BCADHN O=C(c1cccc2c1CNC2)N1CCNCC1 ZINC000258227018 488107444 /nfs/dbraw/zinc/10/74/44/488107444.db2.gz RLTJLKPHXJCNOG-UHFFFAOYSA-N 0 3 231.299 0.335 20 0 BCADHN CCCN1CC[C@H](NC(=O)c2cnccc2N)C1 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CCN1CCN(CCn2ccnc2)C[C@H]1C ZINC000677987645 488168623 /nfs/dbraw/zinc/16/86/23/488168623.db2.gz CKUKXVSYXDAFFW-GFCCVEGCSA-N 0 3 222.336 0.909 20 0 BCADHN COCC1(N(C)CCn2ccnc2)CC1 ZINC000677989063 488168649 /nfs/dbraw/zinc/16/86/49/488168649.db2.gz XPTYCGUCKWDURL-UHFFFAOYSA-N 0 3 209.293 0.994 20 0 BCADHN CC[C@H](CN1CCCC1)NS(=O)(=O)CC ZINC000674346419 487562645 /nfs/dbraw/zinc/56/26/45/487562645.db2.gz PEGHPYZQVWHORV-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN COC[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC000674592084 487597814 /nfs/dbraw/zinc/59/78/14/487597814.db2.gz WDHLCJYRNHQJTK-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)[C@H](NC(=O)C[C@@H]1CNCCO1)C1CC1 ZINC000324409363 487605269 /nfs/dbraw/zinc/60/52/69/487605269.db2.gz QEPXRTFTFYOTCR-YPMHNXCESA-N 0 3 240.347 0.916 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@@H](O)C1CC1 ZINC000668300682 487635982 /nfs/dbraw/zinc/63/59/82/487635982.db2.gz SOFXUFBJWZKZDL-NSHDSACASA-N 0 3 228.336 0.558 20 0 BCADHN CC(C)CN(CCN(C)C)C(=O)[C@H](O)C1CC1 ZINC000668300505 487636117 /nfs/dbraw/zinc/63/61/17/487636117.db2.gz OYCSSXIPDLABBK-GFCCVEGCSA-N 0 3 242.363 0.804 20 0 BCADHN CN1CCC[C@H](NC(=O)[C@H]2CCSC2)C1 ZINC000675565740 487749411 /nfs/dbraw/zinc/74/94/11/487749411.db2.gz WJGOFJNWBVVFJV-UWVGGRQHSA-N 0 3 228.361 0.950 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1N[C@@H](C)C(C)C ZINC000668508631 487864390 /nfs/dbraw/zinc/86/43/90/487864390.db2.gz NGHYJATXMSVDPJ-IVZWLZJFSA-N 0 3 235.349 0.433 20 0 BCADHN CCn1cc(CC(=O)NC[C@@H](C)N(C)C)cn1 ZINC000681959300 487873063 /nfs/dbraw/zinc/87/30/63/487873063.db2.gz RWNWDZPOBHNHTF-SNVBAGLBSA-N 0 3 238.335 0.512 20 0 BCADHN CC1(C)C[C@@H](N2CCN3CCOC[C@H]3C2)CO1 ZINC000660273467 487888063 /nfs/dbraw/zinc/88/80/63/487888063.db2.gz HIBNGRJNJUMXBP-VXGBXAGGSA-N 0 3 240.347 0.570 20 0 BCADHN CCCNC(=O)[C@H](C)N1CCC[C@H]([C@H](C)O)C1 ZINC000676721249 487905402 /nfs/dbraw/zinc/90/54/02/487905402.db2.gz OXSUUSQBNWWWNH-SRVKXCTJSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1ncc(CN2CC[C@@H](CC(N)=O)C2)cn1 ZINC000676876454 487939903 /nfs/dbraw/zinc/93/99/03/487939903.db2.gz OZZUXWLPFCKQHX-JTQLQIEISA-N 0 3 234.303 0.482 20 0 BCADHN NC(=O)Cc1ccc(CN[C@@H]2CCOC2)cc1 ZINC000676906404 487945142 /nfs/dbraw/zinc/94/51/42/487945142.db2.gz XIQIDCVZNSFKJT-GFCCVEGCSA-N 0 3 234.299 0.593 20 0 BCADHN Nc1ccc(CNC[C@H]2CCCO2)cn1 ZINC000647550471 487965642 /nfs/dbraw/zinc/96/56/42/487965642.db2.gz RSLKAJVVUQOTFT-SNVBAGLBSA-N 0 3 207.277 0.932 20 0 BCADHN C[C@@H](CO)CN1C[C@H](CO)OC(C)(C)C1 ZINC000158713544 487972432 /nfs/dbraw/zinc/97/24/32/487972432.db2.gz ZUTKAVYTDKEAFO-NXEZZACHSA-N 0 3 217.309 0.087 20 0 BCADHN CN1CC[C@@]2(CCN(c3cc(C#N)cnn3)C2)C1 ZINC000396934790 488020967 /nfs/dbraw/zinc/02/09/67/488020967.db2.gz COLLOKGSECKREP-CYBMUJFWSA-N 0 3 243.314 0.880 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](C)NC)[C@H](C)CO1 ZINC000403761976 488136240 /nfs/dbraw/zinc/13/62/40/488136240.db2.gz OSSFYXXXDSILCG-UTLUCORTSA-N 0 3 214.309 0.620 20 0 BCADHN CCn1cncc1CNC1([C@@H](C)O)CC1 ZINC000668702112 488138104 /nfs/dbraw/zinc/13/81/04/488138104.db2.gz WDDZWKIPBPSSRA-SECBINFHSA-N 0 3 209.293 0.906 20 0 BCADHN CCC[C@H](C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000677845084 488139864 /nfs/dbraw/zinc/13/98/64/488139864.db2.gz RURAISXNWMFBLN-NWDGAFQWSA-N 0 3 239.363 0.681 20 0 BCADHN Cn1cnc(C(=O)N2CCNCC2(C)C)c1 ZINC000236094802 488141879 /nfs/dbraw/zinc/14/18/79/488141879.db2.gz BUSFEXLHQXEDEM-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN COCC[C@@H](C)N(C)CC(=O)N1CCCC1 ZINC000677879025 488144502 /nfs/dbraw/zinc/14/45/02/488144502.db2.gz VZMLRKASWJMFGV-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CNC(=O)CCCN[C@H]1CCCn2nccc21 ZINC000657854588 488150859 /nfs/dbraw/zinc/15/08/59/488150859.db2.gz CXMKBANZLYQVHM-JTQLQIEISA-N 0 3 236.319 0.834 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000237467196 488151389 /nfs/dbraw/zinc/15/13/89/488151389.db2.gz MRXDYFSZLDFKBM-SNVBAGLBSA-N 0 3 248.330 0.645 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)NC[C@H](C)O ZINC000683419609 488160533 /nfs/dbraw/zinc/16/05/33/488160533.db2.gz YUPSOUDDULFSSC-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN CCN(CC)CC(=O)N(CCCO)C1CC1 ZINC000677935343 488160627 /nfs/dbraw/zinc/16/06/27/488160627.db2.gz YNHHOCHOIMYUBO-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1cn(CC)nn1 ZINC000404445755 488160742 /nfs/dbraw/zinc/16/07/42/488160742.db2.gz CIPVWLUCTOLERK-WPRPVWTQSA-N 0 3 239.323 0.288 20 0 BCADHN CCn1cc(CNCC[C@H]2CCOC2)nn1 ZINC000404441396 488160951 /nfs/dbraw/zinc/16/09/51/488160951.db2.gz KLGRZQTWXDYOCS-JTQLQIEISA-N 0 3 224.308 0.814 20 0 BCADHN CN(C(=O)C(C)(C)C(N)=O)[C@H]1CCCN(C)C1 ZINC000683487583 488163365 /nfs/dbraw/zinc/16/33/65/488163365.db2.gz JLAKCISJCSHLEW-VIFPVBQESA-N 0 3 241.335 0.051 20 0 BCADHN Cc1nccn1CCN1CCNC(=O)C[C@@H]1C ZINC000677989133 488169416 /nfs/dbraw/zinc/16/94/16/488169416.db2.gz ZOLKZWARMOCPBW-JTQLQIEISA-N 0 3 236.319 0.402 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000167463570 488170617 /nfs/dbraw/zinc/17/06/17/488170617.db2.gz DXYVBZHPARPPBC-GARJFASQSA-N 0 3 228.336 0.508 20 0 BCADHN C[C@@H]1COCC[C@H]1C(=O)N[C@@H]1CCCN(C)C1 ZINC000683480272 488172507 /nfs/dbraw/zinc/17/25/07/488172507.db2.gz RNPVUVOWAYOYAM-IJLUTSLNSA-N 0 3 240.347 0.869 20 0 BCADHN Cn1nccc1CC(=O)N[C@@H]1CCCN(C)C1 ZINC000683480538 488172730 /nfs/dbraw/zinc/17/27/30/488172730.db2.gz ZNSQKEBOKDHHNC-SNVBAGLBSA-N 0 3 236.319 0.173 20 0 BCADHN O=C1NCCN1CCN1CCC[C@@H](CCO)C1 ZINC000051895441 488175145 /nfs/dbraw/zinc/17/51/45/488175145.db2.gz LNXRTAGGSKUABX-NSHDSACASA-N 0 3 241.335 0.106 20 0 BCADHN C[C@@H](CO)CN1CCN(C[C@H]2CCCO2)CC1 ZINC000678043470 488178884 /nfs/dbraw/zinc/17/88/84/488178884.db2.gz UAIYOBVOYMCNCL-CHWSQXEVSA-N 0 3 242.363 0.411 20 0 BCADHN Cc1nc(CCN(C)C[C@@H](C)CO)no1 ZINC000678045559 488181141 /nfs/dbraw/zinc/18/11/41/488181141.db2.gz DCVNFWXYIRAYEZ-MRVPVSSYSA-N 0 3 213.281 0.481 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CO[C@H](C2CC2)C1 ZINC000668004682 488181679 /nfs/dbraw/zinc/18/16/79/488181679.db2.gz BJHIEYQDOUNARR-MNOVXSKESA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCc3[nH]cnc3C2)C1 ZINC000627372646 488182336 /nfs/dbraw/zinc/18/23/36/488182336.db2.gz SHXJXVQATDLHTE-JTQLQIEISA-N 0 3 248.330 0.636 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCc3nc[nH]c3C2)C1 ZINC000627372646 488182339 /nfs/dbraw/zinc/18/23/39/488182339.db2.gz SHXJXVQATDLHTE-JTQLQIEISA-N 0 3 248.330 0.636 20 0 BCADHN Cn1ccc(CN2CCN(C)CC2(C)C)cc1=O ZINC000678047662 488184821 /nfs/dbraw/zinc/18/48/21/488184821.db2.gz YKZPWRYEWWXXHT-UHFFFAOYSA-N 0 3 249.358 0.911 20 0 BCADHN CC(C)NCC(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000310659092 488185514 /nfs/dbraw/zinc/18/55/14/488185514.db2.gz XIGVLSBHEGMKQE-JSGCOSHPSA-N 0 3 248.326 0.759 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000668022673 488188925 /nfs/dbraw/zinc/18/89/25/488188925.db2.gz MUTXVPRGRLENFB-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN COC[C@@H](OC)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000668022714 488188978 /nfs/dbraw/zinc/18/89/78/488188978.db2.gz NYUSQQFRGHNJOZ-GHMZBOCLSA-N 0 3 244.335 0.200 20 0 BCADHN O=C(C[C@H]1CSCCN1)NC[C@@H]1CCCO1 ZINC000085612721 488189842 /nfs/dbraw/zinc/18/98/42/488189842.db2.gz ZEFYATUXNKZITO-UWVGGRQHSA-N 0 3 244.360 0.377 20 0 BCADHN Cc1cc(C(=O)NC[C@@H](C)N(C)C)c(C)nn1 ZINC000678066757 488190384 /nfs/dbraw/zinc/19/03/84/488190384.db2.gz PPYXSTFKMZNCTG-SECBINFHSA-N 0 3 236.319 0.773 20 0 BCADHN Cc1cc(C(=O)NC[C@H]2CCN(C)C2)c(C)nn1 ZINC000678071274 488191005 /nfs/dbraw/zinc/19/10/05/488191005.db2.gz FPGFAICHWSTSSZ-LLVKDONJSA-N 0 3 248.330 0.775 20 0 BCADHN Cc1cc(C(=O)N(C)CCN(C)C)c(C)nn1 ZINC000678086400 488193753 /nfs/dbraw/zinc/19/37/53/488193753.db2.gz PCLPJMWFPSJTDV-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN C[C@H]1CN([C@@H]2CCCC[C@H]2O)C[C@H](CO)O1 ZINC000299908401 488195019 /nfs/dbraw/zinc/19/50/19/488195019.db2.gz JNBUBDRTVRPCML-IRCOFANPSA-N 0 3 229.320 0.372 20 0 BCADHN C[C@H](N[C@H]1CO[C@H](C2CC2)C1)C(=O)N(C)C ZINC000668055501 488195956 /nfs/dbraw/zinc/19/59/56/488195956.db2.gz DAZUZTIIKRSJND-GDPRMGEGSA-N 0 3 226.320 0.620 20 0 BCADHN Cc1ncc(CN2CC[C@@]3(CNC(=O)C3)C2)n1C ZINC000668084699 488199572 /nfs/dbraw/zinc/19/95/72/488199572.db2.gz SUBIBDNGFFOTOC-CYBMUJFWSA-N 0 3 248.330 0.441 20 0 BCADHN CC(C)NCC(=O)N[C@H]1CCSC1 ZINC000231352984 488200905 /nfs/dbraw/zinc/20/09/05/488200905.db2.gz QKTIXXQJLNHUBO-QMMMGPOBSA-N 0 3 202.323 0.606 20 0 BCADHN C[C@@H]1C[C@H](O)CN1Cc1ccn(C)c(=O)c1 ZINC000677728586 488203701 /nfs/dbraw/zinc/20/37/01/488203701.db2.gz KHVNNVUHXXBBJZ-KOLCDFICSA-N 0 3 222.288 0.340 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000054074046 488205325 /nfs/dbraw/zinc/20/53/25/488205325.db2.gz TZTMSJBEQCEABN-QMMMGPOBSA-N 0 3 247.302 0.823 20 0 BCADHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cn[nH]c1 ZINC000678145958 488206077 /nfs/dbraw/zinc/20/60/77/488206077.db2.gz QNCHPLWOHQKOCB-SCZZXKLOSA-N 0 3 222.292 0.496 20 0 BCADHN CCN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC000668152543 488211032 /nfs/dbraw/zinc/21/10/32/488211032.db2.gz PLXNCVNKKCEGEX-GDNZZTSVSA-N 0 3 238.331 0.479 20 0 BCADHN C[C@H]1CN(CCn2ccccc2=O)[C@@H](C)CN1C ZINC000678172689 488212406 /nfs/dbraw/zinc/21/24/06/488212406.db2.gz IAKOPPNCAOZRND-STQMWFEESA-N 0 3 249.358 0.873 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1CCn1ccccc1=O ZINC000678172688 488212545 /nfs/dbraw/zinc/21/25/45/488212545.db2.gz IAKOPPNCAOZRND-QWHCGFSZSA-N 0 3 249.358 0.873 20 0 BCADHN CC(C)n1ccc(C[C@@H](C)N[C@H](C)C(N)=O)n1 ZINC000683724330 488213083 /nfs/dbraw/zinc/21/30/83/488213083.db2.gz ODSDZVFRFHEGGK-NXEZZACHSA-N 0 3 238.335 0.858 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](C)C[C@@H](C)O ZINC000398651051 488221544 /nfs/dbraw/zinc/22/15/44/488221544.db2.gz YLGGFOFYXIPQPR-YIZRAAEISA-N 0 3 202.298 0.118 20 0 BCADHN CC(C)(CO)N1CCN(Cc2cn[nH]c2)CC1 ZINC000678268887 488226141 /nfs/dbraw/zinc/22/61/41/488226141.db2.gz HOCMUEBDKMGKEL-UHFFFAOYSA-N 0 3 238.335 0.298 20 0 BCADHN CN(C)C[C@@H]1CCCCN1C(=O)[C@H](O)C1CC1 ZINC000668212734 488227704 /nfs/dbraw/zinc/22/77/04/488227704.db2.gz KZHSSRLXLAYBGK-NWDGAFQWSA-N 0 3 240.347 0.700 20 0 BCADHN CN1CCC[C@@H](NC(=O)CCC(C)(C)O)C1 ZINC000683846352 488231611 /nfs/dbraw/zinc/23/16/11/488231611.db2.gz XCIXGCNGBCKPIY-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C)C1 ZINC000678360805 488246488 /nfs/dbraw/zinc/24/64/88/488246488.db2.gz JOCXKFGTRNOJBK-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN C=Cn1cc(CNC[C@@H]2CCCC(=O)N2)cn1 ZINC000683931742 488247418 /nfs/dbraw/zinc/24/74/18/488247418.db2.gz HKTRNTWUBMXODK-NSHDSACASA-N 0 3 234.303 0.742 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1c1ncnc2n[nH]cc21 ZINC000678408742 488252397 /nfs/dbraw/zinc/25/23/97/488252397.db2.gz RVJLPKZBLKFZRS-DTWKUNHWSA-N 0 3 246.318 0.882 20 0 BCADHN CCOc1nc(C(=O)N[C@@H](C)CN(C)C)co1 ZINC000672516529 488257473 /nfs/dbraw/zinc/25/74/73/488257473.db2.gz SLAKMPOOCUGBSG-QMMMGPOBSA-N 0 3 241.291 0.753 20 0 BCADHN Cc1c[nH]nc1C(=O)N[C@@H](C)CN(C)C ZINC000672516788 488258185 /nfs/dbraw/zinc/25/81/85/488258185.db2.gz HHPPIMFDCODGJH-QMMMGPOBSA-N 0 3 210.281 0.398 20 0 BCADHN C[C@@H](CO)CN(CCCO)Cc1ccccn1 ZINC000672555981 488259829 /nfs/dbraw/zinc/25/98/29/488259829.db2.gz XDNBEPKJMDJIMO-GFCCVEGCSA-N 0 3 238.331 0.894 20 0 BCADHN CCc1ccc(CNCCc2nnnn2C)o1 ZINC000678498717 488262782 /nfs/dbraw/zinc/26/27/82/488262782.db2.gz AFPSDKWKGMAISV-UHFFFAOYSA-N 0 3 235.291 0.698 20 0 BCADHN C[C@@H](NCCc1nnnn1C)c1ccccn1 ZINC000678548415 488266302 /nfs/dbraw/zinc/26/63/02/488266302.db2.gz ZQJYIGKTPBDNJR-SECBINFHSA-N 0 3 232.291 0.498 20 0 BCADHN C[C@H](CF)NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000672846662 488267550 /nfs/dbraw/zinc/26/75/50/488267550.db2.gz LRMUKFYMRRJWKR-ZJUUUORDSA-N 0 3 231.315 0.985 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(CC2(F)CC2)C1 ZINC000684682818 488338912 /nfs/dbraw/zinc/33/89/12/488338912.db2.gz DAOZBCFXWGTWFC-JTQLQIEISA-N 0 3 214.284 0.947 20 0 BCADHN C[C@H](CO)CN1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000684210928 488277609 /nfs/dbraw/zinc/27/76/09/488277609.db2.gz YONIESSSBHORTP-QJPTWQEYSA-N 0 3 229.320 0.495 20 0 BCADHN CC[C@@H](C(=O)N1CC(C)(F)C1)N(C)C ZINC000684326144 488291393 /nfs/dbraw/zinc/29/13/93/488291393.db2.gz VSVZFYVZVQRPPO-QMMMGPOBSA-N 0 3 202.273 0.897 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673515063 488291868 /nfs/dbraw/zinc/29/18/68/488291868.db2.gz BEDQPCDDYVCGMS-WYUUTHIRSA-N 0 3 238.331 0.310 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673515057 488292310 /nfs/dbraw/zinc/29/23/10/488292310.db2.gz BEDQPCDDYVCGMS-KKOKHZNYSA-N 0 3 238.331 0.310 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CC1(C)C ZINC000673523077 488292715 /nfs/dbraw/zinc/29/27/15/488292715.db2.gz ILIGWGKGWXYGTQ-DTWKUNHWSA-N 0 3 214.309 0.071 20 0 BCADHN CCC[C@@H](O)CC(=O)NCC1=CCN(C)CC1 ZINC000678883312 488293290 /nfs/dbraw/zinc/29/32/90/488293290.db2.gz UGNZZOQZBWWDAN-GFCCVEGCSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@@H](C(=O)NCC1=CCN(C)CC1)N(C)C ZINC000678882638 488293428 /nfs/dbraw/zinc/29/34/28/488293428.db2.gz HKJFFFPJXBPMNX-JTQLQIEISA-N 0 3 225.336 0.315 20 0 BCADHN CN1CC=C(CNC(=O)c2cnco2)CC1 ZINC000678883086 488293476 /nfs/dbraw/zinc/29/34/76/488293476.db2.gz PLOHVLRFRFLTDU-UHFFFAOYSA-N 0 3 221.260 0.666 20 0 BCADHN CC(C)N(C)CC(=O)N1CC(C)(F)C1 ZINC000684332274 488293527 /nfs/dbraw/zinc/29/35/27/488293527.db2.gz JKNXTHJROJCKMX-UHFFFAOYSA-N 0 3 202.273 0.897 20 0 BCADHN CN1CC=C(CNC(=O)Nc2cccnn2)CC1 ZINC000678892793 488294054 /nfs/dbraw/zinc/29/40/54/488294054.db2.gz QPORGPVGSBWLRJ-UHFFFAOYSA-N 0 3 247.302 0.860 20 0 BCADHN CC1(C(=O)N[C@H](CO)CN2CCCC2)CCC1 ZINC000673529663 488294420 /nfs/dbraw/zinc/29/44/20/488294420.db2.gz ANZVEQLWVMUKFM-NSHDSACASA-N 0 3 240.347 0.750 20 0 BCADHN CC(C)[C@H](C)C(=O)N[C@H](CO)CN1CCCC1 ZINC000673532050 488294450 /nfs/dbraw/zinc/29/44/50/488294450.db2.gz VXWCTHUTDZCAFZ-RYUDHWBXSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@H](CO)CN1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000684630259 488336332 /nfs/dbraw/zinc/33/63/32/488336332.db2.gz GPZTZCKVMDMMAD-RWMBFGLXSA-N 0 3 243.347 0.885 20 0 BCADHN OC[C@H](CNCc1cn[nH]c1)c1cccnc1 ZINC000673616322 488298108 /nfs/dbraw/zinc/29/81/08/488298108.db2.gz FYVZTGRCFNYXRS-LBPRGKRZSA-N 0 3 232.287 0.670 20 0 BCADHN CC(C)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000679067906 488305548 /nfs/dbraw/zinc/30/55/48/488305548.db2.gz VMSALCXVMFIGRP-GXSJLCMTSA-N 0 3 236.319 0.912 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)NCCOCCN(C)C ZINC000679169701 488314455 /nfs/dbraw/zinc/31/44/55/488314455.db2.gz WRCNFGNFDJNIMT-NXEZZACHSA-N 0 3 214.309 0.337 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCN(C)C(=O)C1)N(C)C ZINC000684487330 488320799 /nfs/dbraw/zinc/32/07/99/488320799.db2.gz LEKNMTJEMRZFQF-NXEZZACHSA-N 0 3 241.335 0.064 20 0 BCADHN C[C@](O)(CO)CNCc1n[nH]c2ccccc12 ZINC000684538917 488326841 /nfs/dbraw/zinc/32/68/41/488326841.db2.gz OPRKVLPGGAVLKW-GFCCVEGCSA-N 0 3 235.287 0.396 20 0 BCADHN C[C@](O)(CO)CNCc1[nH]nc2ccccc21 ZINC000684538917 488326842 /nfs/dbraw/zinc/32/68/42/488326842.db2.gz OPRKVLPGGAVLKW-GFCCVEGCSA-N 0 3 235.287 0.396 20 0 BCADHN CC(C)C1CN(C[C@@H](O)CN2CCOCC2)C1 ZINC000684607806 488331730 /nfs/dbraw/zinc/33/17/30/488331730.db2.gz MHWAYPFCSMWOGD-ZDUSSCGKSA-N 0 3 242.363 0.267 20 0 BCADHN C[C@H](CO)CN1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000684626803 488334945 /nfs/dbraw/zinc/33/49/45/488334945.db2.gz WJQKILROAATJBR-TUAOUCFPSA-N 0 3 229.320 0.495 20 0 BCADHN C[C@@H](C(=O)NC1(c2nnc[n-]2)CCC1)[NH+](C)C ZINC000684756381 488339939 /nfs/dbraw/zinc/33/99/39/488339939.db2.gz IGCLYOQSYXEEKM-QMMMGPOBSA-N 0 3 237.307 0.250 20 0 BCADHN C[C@@H](C(=O)NC1(c2nc[nH]n2)CCC1)N(C)C ZINC000684756381 488339942 /nfs/dbraw/zinc/33/99/42/488339942.db2.gz IGCLYOQSYXEEKM-QMMMGPOBSA-N 0 3 237.307 0.250 20 0 BCADHN CN(C)CCn1cc(NC(=O)NCCF)cn1 ZINC000684776437 488341427 /nfs/dbraw/zinc/34/14/27/488341427.db2.gz KGZXYAUADUBHAT-UHFFFAOYSA-N 0 3 243.286 0.536 20 0 BCADHN CO[C@H](C)CN(CC(N)=O)C1CCCC1 ZINC000679852002 488369076 /nfs/dbraw/zinc/36/90/76/488369076.db2.gz WLUJSGKYOGPOPD-SECBINFHSA-N 0 3 214.309 0.751 20 0 BCADHN N[C@@H]1CN(CC(=O)NC2CCCC2)CC[C@H]1F ZINC000662319709 490051401 /nfs/dbraw/zinc/05/14/01/490051401.db2.gz KWCHZVUCAOYLBQ-GHMZBOCLSA-N 0 3 243.326 0.416 20 0 BCADHN CCCN(CC(=O)N(C)C)C[C@H](C)CO ZINC000120684515 490067276 /nfs/dbraw/zinc/06/72/76/490067276.db2.gz VRRYYWNMINYIKT-JTQLQIEISA-N 0 3 216.325 0.415 20 0 BCADHN C[C@H](CO)CN1CCN(CC2CC2)CC1 ZINC000120667650 490066743 /nfs/dbraw/zinc/06/67/43/490066743.db2.gz NYWRGICIKMSVGN-NSHDSACASA-N 0 3 212.337 0.642 20 0 BCADHN C[C@@H](CO)CN1CCN(CC2CC2)CC1 ZINC000120667818 490066787 /nfs/dbraw/zinc/06/67/87/490066787.db2.gz NYWRGICIKMSVGN-LLVKDONJSA-N 0 3 212.337 0.642 20 0 BCADHN C[C@@H](CO)CN1CCC(N2CCNC2=O)CC1 ZINC000120671565 490066822 /nfs/dbraw/zinc/06/68/22/490066822.db2.gz OGUDECPHVINEHR-SNVBAGLBSA-N 0 3 241.335 0.104 20 0 BCADHN CCC(=O)N1CCCN(C[C@@H](C)CO)CC1 ZINC000120680814 490067190 /nfs/dbraw/zinc/06/71/90/490067190.db2.gz CNPCWYYEUQUYPG-LLVKDONJSA-N 0 3 228.336 0.559 20 0 BCADHN CN(C)C/C=C\C(=O)Nc1c2c(nn1C)CCC2 ZINC000491850768 490120533 /nfs/dbraw/zinc/12/05/33/490120533.db2.gz QQUGTJYFMDWOFN-YVMONPNESA-N 0 3 248.330 0.965 20 0 BCADHN Cc1cc(NC(=O)C=CCN(C)C)ccn1 ZINC000491850661 490120601 /nfs/dbraw/zinc/12/06/01/490120601.db2.gz QGOQBJAAMJMURN-PLNGDYQASA-N 0 3 219.288 0.868 20 0 BCADHN CN1CCC[C@H](NC(=O)CC(F)(F)CN)C1 ZINC000653112254 490122351 /nfs/dbraw/zinc/12/23/51/490122351.db2.gz SDOHVSGLJRGHFM-QMMMGPOBSA-N 0 3 235.278 0.181 20 0 BCADHN CC(C)[C@@](C)(O)CN1CCO[C@H](CN(C)C)C1 ZINC000185005460 490154483 /nfs/dbraw/zinc/15/44/83/490154483.db2.gz WXHWIVCTRUXBSA-OLZOCXBDSA-N 0 3 244.379 0.656 20 0 BCADHN Cc1csc(CCNCc2cnnn2C)n1 ZINC000129708917 490163628 /nfs/dbraw/zinc/16/36/28/490163628.db2.gz QDBCXRVVQWIBOY-UHFFFAOYSA-N 0 3 237.332 0.912 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@@H]2COC[C@]2(C)C1 ZINC000661696973 490175043 /nfs/dbraw/zinc/17/50/43/490175043.db2.gz NOJCPPOMHHOFHP-FOGDFJRCSA-N 0 3 226.320 0.431 20 0 BCADHN CNC(=O)CCNCc1ccccc1OC ZINC000044987758 490188398 /nfs/dbraw/zinc/18/83/98/490188398.db2.gz PKCHAUUHVIMOQJ-UHFFFAOYSA-N 0 3 222.288 0.921 20 0 BCADHN CCC[C@@H]1C(=O)NCCN1C[C@H]1CCCN1C ZINC000649572512 490195818 /nfs/dbraw/zinc/19/58/18/490195818.db2.gz YTWCHIDOYGCOFK-VXGBXAGGSA-N 0 3 239.363 0.681 20 0 BCADHN CN(C[C@H]1CN(C)CCO1)[C@H]1CCCOC1 ZINC000674303180 490206932 /nfs/dbraw/zinc/20/69/32/490206932.db2.gz UPWXSGQDEULTAK-NWDGAFQWSA-N 0 3 228.336 0.428 20 0 BCADHN C[C@@H](C(=O)N1C[C@@H](C)NC[C@@H]1C)N(C)C ZINC000237445795 490210036 /nfs/dbraw/zinc/21/00/36/490210036.db2.gz IXMMJYXEPXPYRM-UTLUCORTSA-N 0 3 213.325 0.145 20 0 BCADHN C[C@H](CNC(=O)[C@H](C)N(C)C)N(C)C1CC1 ZINC000078711936 490220371 /nfs/dbraw/zinc/22/03/71/490220371.db2.gz IRWLRKFJNQOKBP-ZJUUUORDSA-N 0 3 227.352 0.535 20 0 BCADHN NC(C(=O)N[C@@H]1C[C@H]2C[C@H]2C1)C(F)(F)F ZINC000424210997 490225758 /nfs/dbraw/zinc/22/57/58/490225758.db2.gz WUBZHJVJVGJKMZ-VZFHVOOUSA-N 0 3 222.210 0.791 20 0 BCADHN Cc1ccc(OC[C@@H]2CNCCO2)nc1 ZINC000125049741 490253898 /nfs/dbraw/zinc/25/38/98/490253898.db2.gz QERNFMYLFLDRNU-JTQLQIEISA-N 0 3 208.261 0.757 20 0 BCADHN C[C@H](F)CCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659496642 490305025 /nfs/dbraw/zinc/30/50/25/490305025.db2.gz VIEPXIRRVUARFO-DJLDLDEBSA-N 0 3 235.278 0.815 20 0 BCADHN CC(C)N1CCCN(C(=O)[C@@H](O)C2CC2)CC1 ZINC000668101592 490330176 /nfs/dbraw/zinc/33/01/76/490330176.db2.gz WBERHQMEYAOOIG-LBPRGKRZSA-N 0 3 240.347 0.700 20 0 BCADHN Cc1nnc([N-]C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)n1C ZINC000653160047 490337695 /nfs/dbraw/zinc/33/76/95/490337695.db2.gz WKZPWZOJZZRSHB-VHSXEESVSA-N 0 3 249.318 0.593 20 0 BCADHN Cc1nnc([N-]C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)n1C ZINC000653160048 490337749 /nfs/dbraw/zinc/33/77/49/490337749.db2.gz WKZPWZOJZZRSHB-ZJUUUORDSA-N 0 3 249.318 0.593 20 0 BCADHN Cc1ncc(CN2CC[C@@H]3CN(C)C[C@H]32)n1C ZINC000668186626 490337942 /nfs/dbraw/zinc/33/79/42/490337942.db2.gz NMGWKBCUQHGQNI-DGCLKSJQSA-N 0 3 234.347 0.864 20 0 BCADHN O=c1c2c(ncn1C[C@@H]1CNCCO1)CCCC2 ZINC000395508908 490339239 /nfs/dbraw/zinc/33/92/39/490339239.db2.gz VXURHUQXTCIGAH-JTQLQIEISA-N 0 3 249.314 0.111 20 0 BCADHN CCC[C@@H](N)c1cn(CC(=O)NC(C)C)nn1 ZINC000229956105 490371217 /nfs/dbraw/zinc/37/12/17/490371217.db2.gz LLBKDPDRWVGJKT-SECBINFHSA-N 0 3 239.323 0.603 20 0 BCADHN CCN(CC)CC(=O)NCC1(CO)CC1 ZINC000305076730 490429484 /nfs/dbraw/zinc/42/94/84/490429484.db2.gz LEUFFRSVQIBBDC-UHFFFAOYSA-N 0 3 214.309 0.217 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125425860 490431047 /nfs/dbraw/zinc/43/10/47/490431047.db2.gz UZALLWZXMKIECH-DMWPJOQESA-N 0 3 238.331 0.356 20 0 BCADHN COCCOCCN1CCC[C@H]1COC ZINC000079498133 490446614 /nfs/dbraw/zinc/44/66/14/490446614.db2.gz ODUSUPQMWIFTPZ-NSHDSACASA-N 0 3 217.309 0.760 20 0 BCADHN C[C@H](O)[C@H]1CCCN([C@@H](C)C(=O)N(C)C)C1 ZINC000305205646 490449538 /nfs/dbraw/zinc/44/95/38/490449538.db2.gz XXQZHGTZFZPMCT-DCAQKATOSA-N 0 3 228.336 0.556 20 0 BCADHN C[C@@H](NCCN1C(=O)CCC1=O)c1cn[nH]c1 ZINC000405459851 490457260 /nfs/dbraw/zinc/45/72/60/490457260.db2.gz YZYNQURBRJUZEI-MRVPVSSYSA-N 0 3 236.275 0.209 20 0 BCADHN CN(CCN1CCCC1=O)C[C@@H](O)C1CC1 ZINC000079767934 490461085 /nfs/dbraw/zinc/46/10/85/490461085.db2.gz ZJALPBWUMGVTIB-LLVKDONJSA-N 0 3 226.320 0.312 20 0 BCADHN CN(Cc1ccc(C(N)=O)cc1)C[C@@H](O)C1CC1 ZINC000079767988 490462685 /nfs/dbraw/zinc/46/26/85/490462685.db2.gz GSBDGCYMIXMMEU-CYBMUJFWSA-N 0 3 248.326 0.988 20 0 BCADHN Nc1cccc(CN2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC000396930005 490482865 /nfs/dbraw/zinc/48/28/65/490482865.db2.gz OINATMXCSHRSOF-DGCLKSJQSA-N 0 3 236.315 0.444 20 0 BCADHN CN(Cc1nccs1)C[C@@H]1CNCCO1 ZINC000126703152 490513838 /nfs/dbraw/zinc/51/38/38/490513838.db2.gz YZCHFDQLIJUMRN-VIFPVBQESA-N 0 3 227.333 0.563 20 0 BCADHN CCN(CCO)Cc1ccc(N(C)C)nc1 ZINC000127974157 490567494 /nfs/dbraw/zinc/56/74/94/490567494.db2.gz VFDWSFDBZGUBIT-UHFFFAOYSA-N 0 3 223.320 0.962 20 0 BCADHN COC1(CO)CCN(CCn2ccnc2)CC1 ZINC000401783053 490586589 /nfs/dbraw/zinc/58/65/89/490586589.db2.gz XSAULOLCDCPBFC-UHFFFAOYSA-N 0 3 239.319 0.356 20 0 BCADHN CCOC[C@@H](O)CN1CCN(CCCF)CC1 ZINC000402525539 490601008 /nfs/dbraw/zinc/60/10/08/490601008.db2.gz HIDXMAVSQFGZOP-LBPRGKRZSA-N 0 3 248.342 0.361 20 0 BCADHN CCOC[C@H](O)CN1CCN(CCCF)CC1 ZINC000402525538 490601027 /nfs/dbraw/zinc/60/10/27/490601027.db2.gz HIDXMAVSQFGZOP-GFCCVEGCSA-N 0 3 248.342 0.361 20 0 BCADHN NC(=O)CN(CCn1ccnc1)C1CCCC1 ZINC000131112228 490602922 /nfs/dbraw/zinc/60/29/22/490602922.db2.gz HMRAHVDLLWUMQS-UHFFFAOYSA-N 0 3 236.319 0.613 20 0 BCADHN c1cn2c(n1)C[C@@H](NC1CSC1)CC2 ZINC000307197073 490655218 /nfs/dbraw/zinc/65/52/18/490655218.db2.gz UUSRVBSGVJESOP-QMMMGPOBSA-N 0 3 209.318 0.903 20 0 BCADHN CCNC(=O)CN1CCCC[C@H]1[C@H](C)CO ZINC000661437051 490678630 /nfs/dbraw/zinc/67/86/30/490678630.db2.gz YILNDWIQZYBZNP-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](C)CN1CC(N2CC[C@@H](O)C2)C1 ZINC000651978002 491121153 /nfs/dbraw/zinc/12/11/53/491121153.db2.gz NJJBMGDHUXHANR-CMPLNLGQSA-N 0 3 212.337 0.783 20 0 BCADHN Cn1cc(CC(=O)N[C@@H]2CCCN(C)C2)cn1 ZINC000624635872 491088186 /nfs/dbraw/zinc/08/81/86/491088186.db2.gz OZQRIDUNDHPYIZ-LLVKDONJSA-N 0 3 236.319 0.173 20 0 BCADHN CC[C@@H](C)CN1CCN(CCN(C)C)C(=O)C1 ZINC000649685618 491090529 /nfs/dbraw/zinc/09/05/29/491090529.db2.gz GYRRXHSKWVPMAA-GFCCVEGCSA-N 0 3 241.379 0.738 20 0 BCADHN OCC(CO)NCc1cccc2cnccc21 ZINC000087750586 491091609 /nfs/dbraw/zinc/09/16/09/491091609.db2.gz FSSIKZUJUNMLAS-UHFFFAOYSA-N 0 3 232.283 0.678 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1C[C@H]1C(F)F ZINC000338093245 491102355 /nfs/dbraw/zinc/10/23/55/491102355.db2.gz KZCICRVCPUWMPN-RNFRBKRXSA-N 0 3 206.236 0.565 20 0 BCADHN COCCCNC(=O)CN(C)[C@@H](C)CCOC ZINC000088499866 491103145 /nfs/dbraw/zinc/10/31/45/491103145.db2.gz ARXDJTALMXAXIO-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN C[C@@]1(CNC(=O)C2(N)CC2)CC1(F)F ZINC000659363006 491104676 /nfs/dbraw/zinc/10/46/76/491104676.db2.gz ZAPTYCNKSLTQJW-ZETCQYMHSA-N 0 3 204.220 0.639 20 0 BCADHN OCc1ccc(CNC[C@@]2(O)CCOC2)o1 ZINC000229640875 491117238 /nfs/dbraw/zinc/11/72/38/491117238.db2.gz UEUYSNOPHONTME-NSHDSACASA-N 0 3 227.260 0.013 20 0 BCADHN CC[C@H](C)C(=O)N[C@@H](CO)CN(C)C ZINC000673521566 491120655 /nfs/dbraw/zinc/12/06/55/491120655.db2.gz QRRSFPSVMQGKNN-DTWKUNHWSA-N 0 3 202.298 0.071 20 0 BCADHN CCOc1ccc(CNC[C@](C)(O)CO)cc1 ZINC000090286267 491124293 /nfs/dbraw/zinc/12/42/93/491124293.db2.gz DFXWONZEZZOLMB-ZDUSSCGKSA-N 0 3 239.315 0.918 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)[C@@H]1CCCOC1 ZINC000408154856 491125973 /nfs/dbraw/zinc/12/59/73/491125973.db2.gz NJYPOFUGGOWNCN-RKDXNWHRSA-N 0 3 249.332 0.057 20 0 BCADHN CC[C@@H](O)CN1CCN(CC)[C@@H](C)C1 ZINC000216587788 491128596 /nfs/dbraw/zinc/12/85/96/491128596.db2.gz MCGCXZYMLKQMNM-WDEREUQCSA-N 0 3 200.326 0.783 20 0 BCADHN C[C@@H]1[C@H](C)SCCN1C[C@@H]1CNCCO1 ZINC000132422600 491135888 /nfs/dbraw/zinc/13/58/88/491135888.db2.gz ZRXGGYXLDUNPJK-VWYCJHECSA-N 0 3 230.377 0.801 20 0 BCADHN CO[C@@]1(CNC2CSC2)CCOC1 ZINC000308431008 491136154 /nfs/dbraw/zinc/13/61/54/491136154.db2.gz TVPUWQDAFSRTPL-SECBINFHSA-N 0 3 203.307 0.497 20 0 BCADHN CCO[C@@H]1C[C@H](NC2CSC2)[C@H]1OC ZINC000308521043 491136874 /nfs/dbraw/zinc/13/68/74/491136874.db2.gz OVWIHSKMGWEHKI-IVZWLZJFSA-N 0 3 217.334 0.884 20 0 BCADHN CNS(=O)(=O)CCCNCc1ccco1 ZINC000308960678 491141084 /nfs/dbraw/zinc/14/10/84/491141084.db2.gz RXGKFOMRPGZMBA-UHFFFAOYSA-N 0 3 232.305 0.309 20 0 BCADHN CN(C)C1(CNCc2cn(C)cn2)CCC1 ZINC000309310896 491146673 /nfs/dbraw/zinc/14/66/73/491146673.db2.gz WZCXUDXVMCZEEB-UHFFFAOYSA-N 0 3 222.336 0.994 20 0 BCADHN CCN1CCN(CCCCO)C[C@@H]1C ZINC000082484244 491147196 /nfs/dbraw/zinc/14/71/96/491147196.db2.gz XOUSGQBQHRAZSW-NSHDSACASA-N 0 3 200.326 0.785 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NCc1cn[nH]c1 ZINC000309745569 491155876 /nfs/dbraw/zinc/15/58/76/491155876.db2.gz FLSSODZYUPNQFI-CABZTGNLSA-N 0 3 220.320 0.982 20 0 BCADHN CC(C)(CO)CNCc1ccc(CO)o1 ZINC000133518569 491156406 /nfs/dbraw/zinc/15/64/06/491156406.db2.gz YRTRMEOYAGLBSK-UHFFFAOYSA-N 0 3 213.277 0.880 20 0 BCADHN Cc1cnn(C)c1CN[C@@H](CO)CC1CC1 ZINC000309840373 491156926 /nfs/dbraw/zinc/15/69/26/491156926.db2.gz CXGYDGOONXAJKC-LLVKDONJSA-N 0 3 223.320 0.979 20 0 BCADHN CO[C@@H]1C[C@@H](CO)N(Cc2ccc(O)cc2)C1 ZINC000310511310 491161811 /nfs/dbraw/zinc/16/18/11/491161811.db2.gz LPUQSGVSKBAPMF-WCQYABFASA-N 0 3 237.299 0.974 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@@H](O)[C@H](F)C1)N(C)C ZINC000890693335 582507346 /nfs/dbraw/zinc/50/73/46/582507346.db2.gz BPFIXBQWUWSEGC-GMTAPVOTSA-N 0 3 246.326 0.504 20 0 BCADHN CCC[C@@H]1C[C@H]1NC(=O)[C@H](N)CCC(=O)OC ZINC000342653487 535491551 /nfs/dbraw/zinc/49/15/51/535491551.db2.gz AOCKXWCBVMELIU-OPRDCNLKSA-N 0 3 242.319 0.572 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCN2C(=O)CC[C@@H]2C1 ZINC000488341911 533722427 /nfs/dbraw/zinc/72/24/27/533722427.db2.gz WDNBIDFWKYHKPV-GMTAPVOTSA-N 0 3 208.305 0.949 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1C[C@H](O)C[C@@H]1C ZINC000512420975 533730347 /nfs/dbraw/zinc/73/03/47/533730347.db2.gz GCOSXMVIAYHVBF-LPEHRKFASA-N 0 3 229.324 0.101 20 0 BCADHN C[C@H](CN1CCOCC1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844458596 582592797 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/nfs/dbraw/zinc/68/92/94/535689294.db2.gz RVDFVMKNYAJCBU-RVBZMBCESA-N 0 3 207.339 0.768 20 0 BCADHN COc1ccc(CN2CC[C@@H](C(N)=O)C2)o1 ZINC000891442048 582686284 /nfs/dbraw/zinc/68/62/84/582686284.db2.gz ZRRJKIGLBCFAPI-MRVPVSSYSA-N 0 3 224.260 0.595 20 0 BCADHN COC(=O)NCCNC(=O)[C@H](C(C)C)N(C)C ZINC000495978220 534118597 /nfs/dbraw/zinc/11/85/97/534118597.db2.gz ITNNUZOAYFENKX-VIFPVBQESA-N 0 3 245.323 0.045 20 0 BCADHN Cc1cc(N)nc(NCCNC(=O)C(C)C)n1 ZINC000891515947 582694777 /nfs/dbraw/zinc/69/47/77/582694777.db2.gz KVSLLXRYKRQYSB-UHFFFAOYSA-N 0 3 237.307 0.551 20 0 BCADHN C[C@@H]1NCCN(C(=O)/C=C\c2cnccn2)[C@H]1C ZINC000493488048 534124970 /nfs/dbraw/zinc/12/49/70/534124970.db2.gz FNMXDDHAIMPSOU-WZQADMAKSA-N 0 3 246.314 0.699 20 0 BCADHN C[C@@H]1OCC[C@@]1(C)NC(=O)/C=C\CN(C)C ZINC000492534851 534185245 /nfs/dbraw/zinc/18/52/45/534185245.db2.gz LGZVSOXCIAFONW-UHGNHILRSA-N 0 3 226.320 0.788 20 0 BCADHN C[C@H](NC(=O)/C=C\CN(C)C)c1ccon1 ZINC000492391702 534190787 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/nfs/dbraw/zinc/27/72/11/534277211.db2.gz NORKTODKIFQUOA-XNPJLODASA-N 0 3 202.273 0.969 20 0 BCADHN CC(C)(O)CN1CCN(Cc2ccncc2)CC1 ZINC000071382208 517403817 /nfs/dbraw/zinc/40/38/17/517403817.db2.gz AECVZSHKSIUDQZ-UHFFFAOYSA-N 0 3 249.358 0.970 20 0 BCADHN CC[C@H](COC)NCC(=O)NCC1CC1 ZINC000070625599 536120667 /nfs/dbraw/zinc/12/06/67/536120667.db2.gz MCOVCCVAHBFIDI-SNVBAGLBSA-N 0 3 214.309 0.527 20 0 BCADHN CN(CC(N)=O)C1CCN(c2cnccn2)CC1 ZINC000331137962 536165492 /nfs/dbraw/zinc/16/54/92/536165492.db2.gz LEVAUYVHVXHJLZ-UHFFFAOYSA-N 0 3 249.318 0.912 20 0 BCADHN CCCN(CCC)C(=O)CN1CCNCC1 ZINC000019976703 521636336 /nfs/dbraw/zinc/63/63/36/521636336.db2.gz RNETZFKOVMGKAK-UHFFFAOYSA-N 0 3 227.352 0.540 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CC[C@@H]1CO ZINC000889136540 582836709 /nfs/dbraw/zinc/83/67/09/582836709.db2.gz KHFRJEKTBXLFOI-MNOVXSKESA-N 0 3 226.320 0.454 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@H]1CC(F)(F)CN1 ZINC000263003866 536374554 /nfs/dbraw/zinc/37/45/54/536374554.db2.gz OYRUYBLWUCNFNO-RKDXNWHRSA-N 0 3 247.289 0.194 20 0 BCADHN CC(=O)C1(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000334165436 534719642 /nfs/dbraw/zinc/71/96/42/534719642.db2.gz AIWUHQUYBAVHLN-MWLCHTKSSA-N 0 3 238.331 0.955 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1CC12CC(O)C2)N(C)C ZINC000888961596 582864417 /nfs/dbraw/zinc/86/44/17/582864417.db2.gz ZZKDWTWXZJYLKJ-PCQVFGIUSA-N 0 3 240.347 0.602 20 0 BCADHN O=C1N[C@H]2CCN(Cc3cc[nH]c3)C[C@@H]2CO1 ZINC000495458055 534800837 /nfs/dbraw/zinc/80/08/37/534800837.db2.gz GKKOWGODZFRRCB-MNOVXSKESA-N 0 3 235.287 0.945 20 0 BCADHN CCCN[C@](C)(Cn1cccn1)C(N)=O ZINC000045435120 582879488 /nfs/dbraw/zinc/87/94/88/582879488.db2.gz NPYYEEMRHRYSOE-SNVBAGLBSA-N 0 3 210.281 0.127 20 0 BCADHN CCCN[C@@](C)(Cn1cccn1)C(N)=O ZINC000045435117 582879527 /nfs/dbraw/zinc/87/95/27/582879527.db2.gz NPYYEEMRHRYSOE-JTQLQIEISA-N 0 3 210.281 0.127 20 0 BCADHN O=C1OCCN1CCCNCC1(F)CC1 ZINC000308871323 534806751 /nfs/dbraw/zinc/80/67/51/534806751.db2.gz JVCCOBWOFYAIHN-UHFFFAOYSA-N 0 3 216.256 0.920 20 0 BCADHN CC[C@H](CO)N[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892479228 582895654 /nfs/dbraw/zinc/89/56/54/582895654.db2.gz ZONJHBWAERKTRY-GMTAPVOTSA-N 0 3 247.310 0.981 20 0 BCADHN C/C=C\C[C@H](CO)NC(=O)/C=C/CN(C)C ZINC000492652696 526326007 /nfs/dbraw/zinc/32/60/07/526326007.db2.gz TWLDIMDAXZAACQ-QSAJQMCXSA-N 0 3 226.320 0.548 20 0 BCADHN CC(=O)CSCC(=O)NC[C@@H](C)N(C)C ZINC000494243619 526442794 /nfs/dbraw/zinc/44/27/94/526442794.db2.gz BOYXCTNITCZXLL-MRVPVSSYSA-N 0 3 232.349 0.375 20 0 BCADHN COC(=O)CN1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000342538394 536472220 /nfs/dbraw/zinc/47/22/20/536472220.db2.gz DYCHAGVMJDBQNP-BDAKNGLRSA-N 0 3 232.349 0.137 20 0 BCADHN CC(=O)NCCCN1CCN(C)[C@@H](C(C)C)C1 ZINC000488005126 526735439 /nfs/dbraw/zinc/73/54/39/526735439.db2.gz YLGGDWULHDOGAU-CYBMUJFWSA-N 0 3 241.379 0.785 20 0 BCADHN COC(CN1CCOCC[C@H]1C)OC ZINC000162449673 536506844 /nfs/dbraw/zinc/50/68/44/536506844.db2.gz QCEYFVXRJHJORK-SECBINFHSA-N 0 3 203.282 0.716 20 0 BCADHN COC(CN1CCC[C@H]2COC[C@H]21)OC ZINC000367076850 536507176 /nfs/dbraw/zinc/50/71/76/536507176.db2.gz CWYVTJBDLOAFET-VHSXEESVSA-N 0 3 215.293 0.716 20 0 BCADHN Cn1ccnc1CNCCCn1ccnc1 ZINC000022863395 527435367 /nfs/dbraw/zinc/43/53/67/527435367.db2.gz PYEGSHAYHBWHLS-UHFFFAOYSA-N 0 3 219.292 0.797 20 0 BCADHN CCN(C)CCNC(=O)OC[C@H]1CCCO1 ZINC000495666374 527798030 /nfs/dbraw/zinc/79/80/30/527798030.db2.gz YRQYLTRXKKNTPD-SNVBAGLBSA-N 0 3 230.308 0.843 20 0 BCADHN CCC1(O)CCN(C[C@H](O)CSC)CC1 ZINC000493235122 527809433 /nfs/dbraw/zinc/80/94/33/527809433.db2.gz HJNFDEADHPNJTB-JTQLQIEISA-N 0 3 233.377 0.947 20 0 BCADHN CCN(C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496474320 527824239 /nfs/dbraw/zinc/82/42/39/527824239.db2.gz QQNMZHZPYFJUIC-SECBINFHSA-N 0 3 232.324 0.824 20 0 BCADHN CCN(CC)CCOC(=O)[C@H]1NC(=O)O[C@H]1C ZINC000496877063 528139145 /nfs/dbraw/zinc/13/91/45/528139145.db2.gz TVTWMKKDKPOAFR-IUCAKERBSA-N 0 3 244.291 0.368 20 0 BCADHN CCN(CC)CCOC(=O)CNC(=O)OC ZINC000495533685 528139436 /nfs/dbraw/zinc/13/94/36/528139436.db2.gz NGZUTPVAYZMPGQ-UHFFFAOYSA-N 0 3 232.280 0.227 20 0 BCADHN CCNC(=O)NCCN(C)CCCOC ZINC000174763580 528174953 /nfs/dbraw/zinc/17/49/53/528174953.db2.gz MIUJGYUOJFPIFF-UHFFFAOYSA-N 0 3 217.313 0.274 20 0 BCADHN CCC(=O)N1CCN(C(=O)/C=C/CN(C)C)C1 ZINC000493375727 528316681 /nfs/dbraw/zinc/31/66/81/528316681.db2.gz ZLMAMGPVTQEAPR-AATRIKPKSA-N 0 3 239.319 0.143 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC[C@@H]([C@@H](C)O)C1)N(C)C ZINC000508181842 528355149 /nfs/dbraw/zinc/35/51/49/528355149.db2.gz MDSIZSUZGZTQHA-UTUOFQBUSA-N 0 3 242.363 0.802 20 0 BCADHN CCO/C=C/C(=O)NCC1=CCN(C)CC1 ZINC000493161568 528476381 /nfs/dbraw/zinc/47/63/81/528476381.db2.gz SWWANULKXVLWPN-RMKNXTFCSA-N 0 3 224.304 0.915 20 0 BCADHN CCO/C=C/C(=O)NC[C@H]1CCCN(C)C1 ZINC000493596615 528483951 /nfs/dbraw/zinc/48/39/51/528483951.db2.gz KVUXCLKYECUUBC-LXSSAFMLSA-N 0 3 226.320 0.995 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000494689147 528500096 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CC1(C)[C@H](O)C[C@@H]1Nc1ccncc1CO ZINC000893264522 583080687 /nfs/dbraw/zinc/08/06/87/583080687.db2.gz DYZYZNBGARFIBU-WDEREUQCSA-N 0 3 222.288 0.567 20 0 BCADHN CC/C(C)=C/C(=O)N[C@@H](CO)CN(C)C ZINC000854468497 583086626 /nfs/dbraw/zinc/08/66/26/583086626.db2.gz QUNPSRHCKUEBFR-OLKPEBQYSA-N 0 3 214.309 0.381 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H](C)COCCOC ZINC000893319613 583100149 /nfs/dbraw/zinc/10/01/49/583100149.db2.gz IOXYPGBVUSELTD-UWVGGRQHSA-N 0 3 232.324 0.152 20 0 BCADHN CC(=O)OC[C@@H](C)N[C@H](C)C(=O)N(C)C ZINC000893361276 583124523 /nfs/dbraw/zinc/12/45/23/583124523.db2.gz KDZASTVISMAONS-HTQZYQBOSA-N 0 3 216.281 0.004 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000893362368 583125105 /nfs/dbraw/zinc/12/51/05/583125105.db2.gz WKLXHZDZNFZJQX-WPRPVWTQSA-N 0 3 240.303 0.291 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H]1C=C[C@H](CO)C1 ZINC000893367825 583126700 /nfs/dbraw/zinc/12/67/00/583126700.db2.gz QYTVQSIGJDPUKT-INTQDDNPSA-N 0 3 213.277 0.465 20 0 BCADHN CS(=O)(=O)C1CC(N[C@@H]2C=C[C@H](CO)C2)C1 ZINC000893367433 583127038 /nfs/dbraw/zinc/12/70/38/583127038.db2.gz NZGSFHFPPHBINF-IZUQBHJASA-N 0 3 245.344 0.089 20 0 BCADHN C[C@@H]1CCN(CC2OCCO2)C[C@H]1CO ZINC000856796642 588878425 /nfs/dbraw/zinc/87/84/25/588878425.db2.gz XIEMCNBMKJLUCD-ZJUUUORDSA-N 0 3 215.293 0.310 20 0 BCADHN COC[C@@H](CN[C@H](C)COC(C)=O)OC ZINC000893484863 583152808 /nfs/dbraw/zinc/15/28/08/583152808.db2.gz PMEOJJSVAUPBLU-PSASIEDQSA-N 0 3 219.281 0.189 20 0 BCADHN C[C@@H]1C[C@@H](NC(=S)NCCN(C)C)CO1 ZINC000843287922 583155833 /nfs/dbraw/zinc/15/58/33/583155833.db2.gz YLBNICXRRXBIEZ-RKDXNWHRSA-N 0 3 231.365 0.190 20 0 BCADHN CC1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC1 ZINC000307283083 583161607 /nfs/dbraw/zinc/16/16/07/583161607.db2.gz JFCOAJJRYWGRRI-YUMQZZPRSA-N 0 3 200.257 0.603 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCN1CCC[C@@H]1C ZINC000223808807 583181918 /nfs/dbraw/zinc/18/19/18/583181918.db2.gz JZIFVYRKEATKLL-MNOVXSKESA-N 0 3 248.392 0.493 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)N[C@@H]2CCOC2)C1 ZINC000893813818 583225672 /nfs/dbraw/zinc/22/56/72/583225672.db2.gz OYIXFAYQNXHGKG-GHMZBOCLSA-N 0 3 241.335 0.416 20 0 BCADHN CCN1CCN(c2nc(C)cc(N)n2)[C@@H](C)C1 ZINC000893829623 583226884 /nfs/dbraw/zinc/22/68/84/583226884.db2.gz PLIBTYLNOPJBBP-JTQLQIEISA-N 0 3 235.335 0.898 20 0 BCADHN Cc1cc(N)nc(NCc2cnn(C)n2)n1 ZINC000893849327 583233062 /nfs/dbraw/zinc/23/30/62/583233062.db2.gz YOSSKANDMLAHGF-UHFFFAOYSA-N 0 3 219.252 0.108 20 0 BCADHN COCC[C@@H](COC)Nc1ccncc1CO ZINC000893915413 583245556 /nfs/dbraw/zinc/24/55/56/583245556.db2.gz BBNRLGLVCXYXHK-NSHDSACASA-N 0 3 240.303 0.459 20 0 BCADHN CCN(C)C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000893921731 583248573 /nfs/dbraw/zinc/24/85/73/583248573.db2.gz OYCRHMGEOIGVHL-RNFRBKRXSA-N 0 3 207.220 0.992 20 0 BCADHN COCc1nccc(N2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000893934974 583252412 /nfs/dbraw/zinc/25/24/12/583252412.db2.gz MEOITCWSFZFWOB-MNOVXSKESA-N 0 3 248.330 0.763 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2c2ncccn2)C1 ZINC000893936370 583252661 /nfs/dbraw/zinc/25/26/61/583252661.db2.gz VWNBRMBNZDLWKA-UWVGGRQHSA-N 0 3 204.277 0.617 20 0 BCADHN Cc1cnc(N2CC[C@@H]3CN(C)C[C@@H]32)nc1 ZINC000893934184 583252884 /nfs/dbraw/zinc/25/28/84/583252884.db2.gz FRVTZFWIKQKKKR-MNOVXSKESA-N 0 3 218.304 0.925 20 0 BCADHN CNC(=O)CCCN(C)Cc1n[nH]c(C)c1C ZINC000894062687 583292539 /nfs/dbraw/zinc/29/25/39/583292539.db2.gz YSFDXOIAMWIXEY-UHFFFAOYSA-N 0 3 238.335 0.985 20 0 BCADHN C[C@@H](NC1CC2(C1)COC(C)(C)C2)C(N)=O ZINC000894066378 583293316 /nfs/dbraw/zinc/29/33/16/583293316.db2.gz LEGCRMILKCEMMU-YDNLMGDJSA-N 0 3 226.320 0.798 20 0 BCADHN CC[C@@H](Nc1nc(C)cc(N)n1)[C@H](C)O ZINC000894078427 583297243 /nfs/dbraw/zinc/29/72/43/583297243.db2.gz ZRQSWAQIGBEYFW-JGVFFNPUSA-N 0 3 210.281 0.939 20 0 BCADHN OCc1cnccc1NC[C@H](O)C1CCC1 ZINC000894119273 583310868 /nfs/dbraw/zinc/31/08/68/583310868.db2.gz MAOIRUGOONEPLY-LBPRGKRZSA-N 0 3 222.288 0.569 20 0 BCADHN CC1(C)CO[C@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000877306799 583311105 /nfs/dbraw/zinc/31/11/05/583311105.db2.gz DLGGMIGWGQIGRF-JOYOIKCWSA-N 0 3 244.310 0.619 20 0 BCADHN Cc1cc(N)nc(N[C@H]2CCNC(=O)CC2)n1 ZINC000894206116 583347765 /nfs/dbraw/zinc/34/77/65/583347765.db2.gz JUUZHAJHWPYXRQ-MRVPVSSYSA-N 0 3 235.291 0.448 20 0 BCADHN COC(=O)N1CCC[C@@H](NCc2cn[nH]c2)C1 ZINC000726607303 583361977 /nfs/dbraw/zinc/36/19/77/583361977.db2.gz KHEUTIHJWJWJFG-SNVBAGLBSA-N 0 3 238.291 0.730 20 0 BCADHN O=C1CCN1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000857237802 588901011 /nfs/dbraw/zinc/90/10/11/588901011.db2.gz UCTIBCPTABSLQE-TUAOUCFPSA-N 0 3 238.331 0.802 20 0 BCADHN Nc1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)c([O-])c1 ZINC000841848818 583362846 /nfs/dbraw/zinc/36/28/46/583362846.db2.gz FLPQTVAMEVODQJ-JTQLQIEISA-N 0 3 235.287 0.442 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN[C@H]2CCCOC2)C1(F)F ZINC000894230576 583384179 /nfs/dbraw/zinc/38/41/79/583384179.db2.gz RKTAPVQIZCVFJC-CIUDSAMLSA-N 0 3 249.257 0.809 20 0 BCADHN C[C@@]1(O)C[C@H](Nc2ccncc2CO)C1 ZINC000894234090 583385533 /nfs/dbraw/zinc/38/55/33/583385533.db2.gz RTVBYGZGMLBLGS-JGZJWPJOSA-N 0 3 208.261 0.321 20 0 BCADHN CC(=O)OC[C@@H](C)N[C@@H](C)C(=O)N1CCCC1 ZINC000894234772 583385950 /nfs/dbraw/zinc/38/59/50/583385950.db2.gz JNNMAVSUGCHZHW-ZJUUUORDSA-N 0 3 242.319 0.539 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1ccc[n+]([O-])c1 ZINC000857284055 588903128 /nfs/dbraw/zinc/90/31/28/588903128.db2.gz UTDQRUBEYFJNPW-UHFFFAOYSA-N 0 3 237.303 0.390 20 0 BCADHN Cc1ccnc(N)c1CN[C@H](CO)C1CC1 ZINC000894270330 583402499 /nfs/dbraw/zinc/40/24/99/583402499.db2.gz VCCLMXWDRYRQRY-LLVKDONJSA-N 0 3 221.304 0.833 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN[C@@H](CO)C2CC2)C1(F)F ZINC000894273185 583403512 /nfs/dbraw/zinc/40/35/12/583403512.db2.gz HUKHBZQASPINLP-VGMNWLOBSA-N 0 3 249.257 0.401 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN[C@@H](CO)C2CC2)C1(F)F ZINC000894273183 583403536 /nfs/dbraw/zinc/40/35/36/583403536.db2.gz HUKHBZQASPINLP-CIUDSAMLSA-N 0 3 249.257 0.401 20 0 BCADHN CCONC(=O)NCCN1CC[C@@H](C)C1 ZINC000894275770 583405099 /nfs/dbraw/zinc/40/50/99/583405099.db2.gz MFKDSGLANBDHDW-SECBINFHSA-N 0 3 215.297 0.579 20 0 BCADHN CCONC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000894275067 583405163 /nfs/dbraw/zinc/40/51/63/583405163.db2.gz FROPQWYVNDBICA-RKDXNWHRSA-N 0 3 213.281 0.283 20 0 BCADHN COC[C@H](O)CNCc1cn2ccnc2s1 ZINC000894277897 583406941 /nfs/dbraw/zinc/40/69/41/583406941.db2.gz OFKGPDHRMOYXMT-MRVPVSSYSA-N 0 3 241.316 0.493 20 0 BCADHN COC[C@H](CCO)NCc1c(C)ccnc1N ZINC000894279771 583407479 /nfs/dbraw/zinc/40/74/79/583407479.db2.gz DEJIOPJMDVBXHG-JTQLQIEISA-N 0 3 239.319 0.459 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN[C@H](C)CCO)C1(F)F ZINC000894284275 583409822 /nfs/dbraw/zinc/40/98/22/583409822.db2.gz OCWZRXPJYLUKGB-PRJMDXOYSA-N 0 3 237.246 0.401 20 0 BCADHN CCN(CC)CC(=O)N1CCN(C)[C@@H](C)C1 ZINC000747985158 583416669 /nfs/dbraw/zinc/41/66/69/583416669.db2.gz ZQIXYVNXZPDMJJ-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CCCCN2C)CCN1C ZINC000747985559 583416954 /nfs/dbraw/zinc/41/69/54/583416954.db2.gz JQNYWXMTZJTHGT-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN CN(C)CCn1ccc(NCc2c[nH]cn2)n1 ZINC000894330935 583424976 /nfs/dbraw/zinc/42/49/76/583424976.db2.gz ZBQKVCZNXWPNMW-UHFFFAOYSA-N 0 3 234.307 0.780 20 0 BCADHN Cc1ccnc(N)c1CNCC[C@@H](C)O ZINC000894331913 583425233 /nfs/dbraw/zinc/42/52/33/583425233.db2.gz KDHDFYDUNZWATF-SECBINFHSA-N 0 3 209.293 0.833 20 0 BCADHN C[C@H](NCc1cnc[nH]1)C(=O)NCc1ccco1 ZINC000894394711 583447185 /nfs/dbraw/zinc/44/71/85/583447185.db2.gz STRZXBBPIVHZPS-VIFPVBQESA-N 0 3 248.286 0.797 20 0 BCADHN CC1(C)COC[C@@H]1N[C@H]1CC(=O)N(C2CC2)C1 ZINC000894397737 583448251 /nfs/dbraw/zinc/44/82/51/583448251.db2.gz QZRMVSRRZXOMIA-ONGXEEELSA-N 0 3 238.331 0.764 20 0 BCADHN CC1(C)COC[C@H]1N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000894397736 583448378 /nfs/dbraw/zinc/44/83/78/583448378.db2.gz QZRMVSRRZXOMIA-MWLCHTKSSA-N 0 3 238.331 0.764 20 0 BCADHN COC[C@@H](CNCc1c(C)ccnc1N)OC ZINC000894434289 583458683 /nfs/dbraw/zinc/45/86/83/583458683.db2.gz QERWACHYWRLYMJ-SNVBAGLBSA-N 0 3 239.319 0.723 20 0 BCADHN Cc1ncoc1CNC[C@@]1(O)CCN(C)C1 ZINC000894469979 583468917 /nfs/dbraw/zinc/46/89/17/583468917.db2.gz SHEHIRCRCPMZLE-NSHDSACASA-N 0 3 225.292 0.139 20 0 BCADHN OCc1cnccc1NCCO[C@@H]1CC1(F)F ZINC000894535979 583479946 /nfs/dbraw/zinc/47/99/46/583479946.db2.gz OYINWMHKOQTAJT-SNVBAGLBSA-N 0 3 244.241 0.832 20 0 BCADHN COC(=O)N1CC(C)(NCC2=CCCOC2)C1 ZINC000894542630 583481938 /nfs/dbraw/zinc/48/19/38/583481938.db2.gz NQJLYAOTMFKTNL-UHFFFAOYSA-N 0 3 240.303 0.763 20 0 BCADHN Cc1cncc(CCNc2ccncc2CO)n1 ZINC000894582055 583488591 /nfs/dbraw/zinc/48/85/91/583488591.db2.gz SRAXRGHLWWBSIK-UHFFFAOYSA-N 0 3 244.298 0.749 20 0 BCADHN Cc1ncoc1CN1CC[C@@]2(CNC(=O)C2)C1 ZINC000894592528 583492340 /nfs/dbraw/zinc/49/23/40/583492340.db2.gz JSOMBYGGBCXXIS-GFCCVEGCSA-N 0 3 235.287 0.695 20 0 BCADHN Cc1ncoc1CNC[C@@]1(O)CCO[C@@H]1C ZINC000894595375 583493074 /nfs/dbraw/zinc/49/30/74/583493074.db2.gz OWCDNXKHMJUKDX-KOLCDFICSA-N 0 3 226.276 0.613 20 0 BCADHN CCNC(=O)[C@@H](N[C@@H](C)COC(C)=O)C(C)C ZINC000894614015 583494006 /nfs/dbraw/zinc/49/40/06/583494006.db2.gz WHZSBQGGTUJPHW-ONGXEEELSA-N 0 3 244.335 0.688 20 0 BCADHN CCOC(=O)CC(C)(C)CN[C@@H](CO)COC ZINC000894620120 583495533 /nfs/dbraw/zinc/49/55/33/583495533.db2.gz OHRGWGBNZLVZLC-JTQLQIEISA-N 0 3 247.335 0.563 20 0 BCADHN Cc1ccnc(N)c1CN1CC[C@](C)(C(N)=O)C1 ZINC000894634282 583498781 /nfs/dbraw/zinc/49/87/81/583498781.db2.gz DKVZMFKQSDTWGJ-ZDUSSCGKSA-N 0 3 248.330 0.670 20 0 BCADHN Cc1ncoc1CN1CC[C@@](C)(C(N)=O)C1 ZINC000894635455 583498805 /nfs/dbraw/zinc/49/88/05/583498805.db2.gz HFCLBQDWPFHXOT-LLVKDONJSA-N 0 3 223.276 0.680 20 0 BCADHN COCC[C@@H](CO)NCc1c(C)ccnc1N ZINC000894652605 583501428 /nfs/dbraw/zinc/50/14/28/583501428.db2.gz JVLVMDKWKQIYGG-JTQLQIEISA-N 0 3 239.319 0.459 20 0 BCADHN CC(C)c1nc(CN[C@H](C)CCO)n[nH]1 ZINC000894675910 583504528 /nfs/dbraw/zinc/50/45/28/583504528.db2.gz JQCWHWMTNGGCNV-MRVPVSSYSA-N 0 3 212.297 0.789 20 0 BCADHN C[C@@H](CCO)NCc1n[nH]c(C2CC2)n1 ZINC000894675863 583504886 /nfs/dbraw/zinc/50/48/86/583504886.db2.gz IIFZKPZZTNLGLW-ZETCQYMHSA-N 0 3 210.281 0.543 20 0 BCADHN C[C@@H](CCO)[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000894675863 583504888 /nfs/dbraw/zinc/50/48/88/583504888.db2.gz IIFZKPZZTNLGLW-ZETCQYMHSA-N 0 3 210.281 0.543 20 0 BCADHN COC[C@@H](O)CNCc1c(C)ccnc1N ZINC000894684627 583507609 /nfs/dbraw/zinc/50/76/09/583507609.db2.gz NNKPRSSAFNUUDA-VIFPVBQESA-N 0 3 225.292 0.069 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000894694604 583509646 /nfs/dbraw/zinc/50/96/46/583509646.db2.gz GGQXQNVGPAFHIP-DBIOUOCHSA-N 0 3 223.320 0.740 20 0 BCADHN CCN1C[C@@H](N[C@H](C)COC(C)=O)CC1=O ZINC000894722519 583514731 /nfs/dbraw/zinc/51/47/31/583514731.db2.gz FKJXTEPYKOTOKU-SCZZXKLOSA-N 0 3 228.292 0.148 20 0 BCADHN COC(=O)C1=CC[C@H](Nc2ccncc2CO)C1 ZINC000894723532 583514864 /nfs/dbraw/zinc/51/48/64/583514864.db2.gz IDDHKNLZKBGVIF-NSHDSACASA-N 0 3 248.282 0.670 20 0 BCADHN O=C1CCC(=O)N1CCN1CCC(F)CC1 ZINC000880240059 583515304 /nfs/dbraw/zinc/51/53/04/583515304.db2.gz LFVMTODVKVTPJE-UHFFFAOYSA-N 0 3 228.267 0.569 20 0 BCADHN COC(=O)[C@H]1[C@H](CN(C)[C@H](C)CO)C1(F)F ZINC000894769349 583516682 /nfs/dbraw/zinc/51/66/82/583516682.db2.gz DYNRNVQLRHRBEF-GJMOJQLCSA-N 0 3 237.246 0.353 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H](C)COC(C)=O ZINC000894773597 583517668 /nfs/dbraw/zinc/51/76/68/583517668.db2.gz JIENRMJCLPMJDB-JMJZKYOTSA-N 0 3 231.292 0.332 20 0 BCADHN O[C@@H]1CCN(CCNc2nccc3nc[nH]c32)C1 ZINC000894782265 583521346 /nfs/dbraw/zinc/52/13/46/583521346.db2.gz UAJSOFZWPVIDJY-SECBINFHSA-N 0 3 247.302 0.436 20 0 BCADHN CC(=O)OC[C@H](C)NC[C@@]1(C)CCC(=O)N1 ZINC000894804581 583522827 /nfs/dbraw/zinc/52/28/27/583522827.db2.gz OKJXEQPZDPJWDA-GZMMTYOYSA-N 0 3 228.292 0.196 20 0 BCADHN CN1CCC[C@@H](N2CC[C@H](CF)C2)C1=O ZINC000880299458 583525924 /nfs/dbraw/zinc/52/59/24/583525924.db2.gz UDZSLTZNWCKCOD-NXEZZACHSA-N 0 3 214.284 0.899 20 0 BCADHN O[C@H]1CCN(CCNc2nccn3ccnc23)C1 ZINC000894833786 583528743 /nfs/dbraw/zinc/52/87/43/583528743.db2.gz YXVPJZLJJWJKOV-JTQLQIEISA-N 0 3 247.302 0.208 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1CC12CC(O)C2 ZINC000894844309 583530771 /nfs/dbraw/zinc/53/07/71/583530771.db2.gz ZTVPNQRWFYCSPM-ZSWLNHAKSA-N 0 3 241.335 0.149 20 0 BCADHN CON(C)C(=O)CCN(C)C[C@H]1CCCO1 ZINC000788012674 583535264 /nfs/dbraw/zinc/53/52/64/583535264.db2.gz WTQJDGQMXMKKNY-SNVBAGLBSA-N 0 3 230.308 0.507 20 0 BCADHN Cc1cc(N)nc(N[C@H]2C[C@@H](CO)C2)n1 ZINC000894867487 583538236 /nfs/dbraw/zinc/53/82/36/583538236.db2.gz MVUHSOFNZRNRTA-OCAPTIKFSA-N 0 3 208.265 0.550 20 0 BCADHN CN(C)c1ncc(CNC[C@@H]2COCO2)cn1 ZINC000894873268 583540212 /nfs/dbraw/zinc/54/02/12/583540212.db2.gz PTZTZUBZYOTYBH-SNVBAGLBSA-N 0 3 238.291 0.005 20 0 BCADHN Cc1cc(CNC[C@H]2COCO2)sn1 ZINC000894878291 583542255 /nfs/dbraw/zinc/54/22/55/583542255.db2.gz HJGYHKWANMEBTD-QMMMGPOBSA-N 0 3 214.290 0.914 20 0 BCADHN Cc1nc(F)ccc1CNC[C@@H]1COCO1 ZINC000894878021 583542425 /nfs/dbraw/zinc/54/24/25/583542425.db2.gz CQTDJBTUKOFKEP-SNVBAGLBSA-N 0 3 226.251 0.992 20 0 BCADHN OC[C@H]1C=CCN1CCc1ccncc1 ZINC000880485787 583544232 /nfs/dbraw/zinc/54/42/32/583544232.db2.gz LDEKCUXZCNVAQG-GFCCVEGCSA-N 0 3 204.273 0.857 20 0 BCADHN CC[C@H](NCc1c[nH]cn1)[C@@H](O)C(F)F ZINC000894881633 583544356 /nfs/dbraw/zinc/54/43/56/583544356.db2.gz SAIAZFZNOQITKB-JGVFFNPUSA-N 0 3 219.235 0.904 20 0 BCADHN CC[C@H](NCc1cnc[nH]1)[C@@H](O)C(F)F ZINC000894881633 583544357 /nfs/dbraw/zinc/54/43/57/583544357.db2.gz SAIAZFZNOQITKB-JGVFFNPUSA-N 0 3 219.235 0.904 20 0 BCADHN Cc1cnccc1CNC[C@@H]1COCO1 ZINC000894882393 583544600 /nfs/dbraw/zinc/54/46/00/583544600.db2.gz WEDTYIMBYBUKGY-LLVKDONJSA-N 0 3 208.261 0.853 20 0 BCADHN OC[C@@H]1C=CCN1C[C@H](O)c1ccccc1 ZINC000880487160 583544888 /nfs/dbraw/zinc/54/48/88/583544888.db2.gz XPKCHDMYUKRFSW-STQMWFEESA-N 0 3 219.284 0.953 20 0 BCADHN C[C@](O)(C[C@@H](O)CN1CC=C[C@H]1CO)C1CC1 ZINC000880494006 583545698 /nfs/dbraw/zinc/54/56/98/583545698.db2.gz IDCWTXBRDUGUQP-XQQFMLRXSA-N 0 3 241.331 0.131 20 0 BCADHN OC[C@@H]1C=CCN1C[C@H](O)CC1(O)CCCC1 ZINC000880495096 583545758 /nfs/dbraw/zinc/54/57/58/583545758.db2.gz ZKPUYGPVMGVJFX-NWDGAFQWSA-N 0 3 241.331 0.275 20 0 BCADHN Cn1ncc2cc(CNC[C@@H]3COCO3)cnc21 ZINC000894890498 583547888 /nfs/dbraw/zinc/54/78/88/583547888.db2.gz TWESDYWFBNTYHM-LLVKDONJSA-N 0 3 248.286 0.431 20 0 BCADHN CO[C@H]1COCC[C@H]1CNCc1c[nH]cn1 ZINC000894889609 583547947 /nfs/dbraw/zinc/54/79/47/583547947.db2.gz VSMSVDJSKBCVAB-ONGXEEELSA-N 0 3 225.292 0.551 20 0 BCADHN COCCOC[C@H](C)N[C@@H](C)C(=O)NC(C)C ZINC000894933973 583558279 /nfs/dbraw/zinc/55/82/79/583558279.db2.gz LZSVOCSXNVWXNV-QWRGUYRKSA-N 0 3 246.351 0.541 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@H]2C[C@@](C)(O)C2)[C@H]1OC ZINC000894953707 583559851 /nfs/dbraw/zinc/55/98/51/583559851.db2.gz IDWLDYUUGOQPOD-PREPNJAASA-N 0 3 229.320 0.682 20 0 BCADHN Cc1ncoc1CN1CC[C@@H](C(=O)N(C)C)C1 ZINC000894992086 583563672 /nfs/dbraw/zinc/56/36/72/583563672.db2.gz HVMHKFQROBETDM-SNVBAGLBSA-N 0 3 237.303 0.893 20 0 BCADHN CON(C)C(=O)CNC1CC2(C1)CO[C@H](C)C2 ZINC000894987901 583565397 /nfs/dbraw/zinc/56/53/97/583565397.db2.gz BROMYCZOTBXBCP-GRZMOONWSA-N 0 3 242.319 0.553 20 0 BCADHN CON(C)C(=O)CNC[C@@](C)(OC)C1CC1 ZINC000895046463 583571727 /nfs/dbraw/zinc/57/17/27/583571727.db2.gz NESVYUJPFMYXSW-LLVKDONJSA-N 0 3 230.308 0.411 20 0 BCADHN CON(C)C(=O)CN[C@@H](C)COC(C)C ZINC000895046840 583571018 /nfs/dbraw/zinc/57/10/18/583571018.db2.gz XYKYHFOKHTZFPH-VIFPVBQESA-N 0 3 218.297 0.409 20 0 BCADHN CON(C)C(=O)CN[C@@H](C)Cc1cnccn1 ZINC000895046684 583572128 /nfs/dbraw/zinc/57/21/28/583572128.db2.gz PYPYIMLTLOXFJB-VIFPVBQESA-N 0 3 238.291 0.017 20 0 BCADHN CON(C)C(=O)CNC[C@@H]1CC1(Cl)Cl ZINC000895045731 583572414 /nfs/dbraw/zinc/57/24/14/583572414.db2.gz YOVNKFGAUJEIKI-LURJTMIESA-N 0 3 241.118 0.790 20 0 BCADHN CON(C)C(=O)CN[C@H]1CCC12CCC2 ZINC000895046164 583572528 /nfs/dbraw/zinc/57/25/28/583572528.db2.gz CZPFAXXRERXFRJ-VIFPVBQESA-N 0 3 212.293 0.929 20 0 BCADHN CN1C[C@H](N[C@@H]2CCCc3cn[nH]c32)CC1=O ZINC000857852433 588913136 /nfs/dbraw/zinc/91/31/36/588913136.db2.gz QYSYKMHDTSFJDP-NXEZZACHSA-N 0 3 234.303 0.607 20 0 BCADHN CN1CCC[C@@H](N[C@H]2CCCc3cn[nH]c32)C1=O ZINC000857857455 588914153 /nfs/dbraw/zinc/91/41/53/588914153.db2.gz UNVYJKSCJZUFOK-WDEREUQCSA-N 0 3 248.330 0.998 20 0 BCADHN CCN(CCCCCO)CC(=O)NC ZINC000727025757 583590483 /nfs/dbraw/zinc/59/04/83/583590483.db2.gz KOZANYIVDJTVNJ-UHFFFAOYSA-N 0 3 202.298 0.217 20 0 BCADHN COC[C@@H](CO)N[C@@H]1CCCc2cn[nH]c21 ZINC000857865192 588914806 /nfs/dbraw/zinc/91/48/06/588914806.db2.gz MQUWOSNALGCPMB-NXEZZACHSA-N 0 3 225.292 0.384 20 0 BCADHN CC(C)(CN[C@H]1CCCc2c[nH]nc21)C(N)=O ZINC000857861811 588914833 /nfs/dbraw/zinc/91/48/33/588914833.db2.gz VALHENYMKBWXBN-VIFPVBQESA-N 0 3 236.319 0.888 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H]1CO[C@@H](C)C1 ZINC000895122025 583595769 /nfs/dbraw/zinc/59/57/69/583595769.db2.gz CMTYPOAXUPUMAM-NRPADANISA-N 0 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COC1CC(N[C@@H](C)c2n[nH]c(=O)n2C)C1 ZINC000895173787 583613783 /nfs/dbraw/zinc/61/37/83/583613783.db2.gz CAJLNNCQYCKKQV-KKMMWDRVSA-N 0 3 226.280 0.349 20 0 BCADHN C[C@H](NC[C@H]1CCSC1)C1N=NC(=O)N1C ZINC000895175954 583615867 /nfs/dbraw/zinc/61/58/67/583615867.db2.gz PRNSRTBKTJOTRR-JGVFFNPUSA-N 0 3 242.348 0.924 20 0 BCADHN C[C@H](N[C@@H]1CSC[C@@H]1C)c1n[nH]c(=O)n1C ZINC000895177753 583616519 /nfs/dbraw/zinc/61/65/19/583616519.db2.gz XJCBMCWCEZNMRS-BIIVOSGPSA-N 0 3 242.348 0.923 20 0 BCADHN OCc1cnccc1N1CCc2ncncc2C1 ZINC000895178099 583616858 /nfs/dbraw/zinc/61/68/58/583616858.db2.gz XQPUVDBJXRRSJQ-UHFFFAOYSA-N 0 3 242.282 0.927 20 0 BCADHN C[C@@H](N[C@@H]1CCSC1)c1n[nH]c(=O)n1C ZINC000895179364 583617183 /nfs/dbraw/zinc/61/71/83/583617183.db2.gz HRGUWWLUZQCJAA-RNFRBKRXSA-N 0 3 228.321 0.677 20 0 BCADHN Cn1ccnc(N2[C@@H]3CC[C@H]2CCN(C)C3)c1=O ZINC000895191382 583621661 /nfs/dbraw/zinc/62/16/61/583621661.db2.gz PJNZHKOKWXKCIZ-WDEREUQCSA-N 0 3 248.330 0.453 20 0 BCADHN CO[C@H]1CC[C@H]1N(C)C(=O)NC[C@H](C)N(C)C ZINC000895204640 583625107 /nfs/dbraw/zinc/62/51/07/583625107.db2.gz HDQCTYJCUJOFSP-AXFHLTTASA-N 0 3 243.351 0.755 20 0 BCADHN CO[C@@H](CNCc1c[nH]cn1)[C@H]1CCOC1 ZINC000895226292 583628736 /nfs/dbraw/zinc/62/87/36/583628736.db2.gz OKMZLOGNCNHYEN-ONGXEEELSA-N 0 3 225.292 0.551 20 0 BCADHN CO[C@@H](CNCc1cnc[nH]1)[C@H]1CCOC1 ZINC000895226292 583628738 /nfs/dbraw/zinc/62/87/38/583628738.db2.gz OKMZLOGNCNHYEN-ONGXEEELSA-N 0 3 225.292 0.551 20 0 BCADHN CO[C@@H](CNCc1c[nH]cn1)[C@@H]1CCOC1 ZINC000895226289 583628825 /nfs/dbraw/zinc/62/88/25/583628825.db2.gz OKMZLOGNCNHYEN-KOLCDFICSA-N 0 3 225.292 0.551 20 0 BCADHN CO[C@@H](CNCc1cnc[nH]1)[C@@H]1CCOC1 ZINC000895226289 583628826 /nfs/dbraw/zinc/62/88/26/583628826.db2.gz OKMZLOGNCNHYEN-KOLCDFICSA-N 0 3 225.292 0.551 20 0 BCADHN CN(CCO)CCNc1cccc2nncn21 ZINC000895240304 583631122 /nfs/dbraw/zinc/63/11/22/583631122.db2.gz HGCSAYRJISIVAQ-UHFFFAOYSA-N 0 3 235.291 0.065 20 0 BCADHN CC(C)(C)OC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000857769796 588911089 /nfs/dbraw/zinc/91/10/89/588911089.db2.gz PYCAWHJORMPJPM-HTQZYQBOSA-N 0 3 246.282 0.226 20 0 BCADHN NC1=CCN(c2nccc(C(F)(F)F)n2)N1 ZINC000895246300 583632638 /nfs/dbraw/zinc/63/26/38/583632638.db2.gz YZHXMPFEIPOGMP-UHFFFAOYSA-N 0 3 231.181 0.620 20 0 BCADHN CON(C)C(=O)CCN1C[C@H](C)OC(C)(C)C1 ZINC000788014077 583637218 /nfs/dbraw/zinc/63/72/18/583637218.db2.gz XKAJXAPSYQTKHC-JTQLQIEISA-N 0 3 244.335 0.896 20 0 BCADHN CON(C)CCN[C@@H]1CCCc2c[nH]nc21 ZINC000857872950 588918163 /nfs/dbraw/zinc/91/81/63/588918163.db2.gz SAJLAODGABFYKO-SNVBAGLBSA-N 0 3 224.308 0.870 20 0 BCADHN COCCN1CC[C@H](NC[C@@H]2CC(C)=NO2)C1 ZINC000895306776 583644106 /nfs/dbraw/zinc/64/41/06/583644106.db2.gz JPCAGXDVNWTUST-RYUDHWBXSA-N 0 3 241.335 0.462 20 0 BCADHN CC1=NO[C@@H](CN[C@H](C)Cn2cncn2)C1 ZINC000895301949 583644154 /nfs/dbraw/zinc/64/41/54/583644154.db2.gz NXHGSPYUDRLYEW-NXEZZACHSA-N 0 3 223.280 0.421 20 0 BCADHN COCCN1CC[C@@H](NC[C@H]2CC(C)=NO2)C1 ZINC000895306777 583644443 /nfs/dbraw/zinc/64/44/43/583644443.db2.gz JPCAGXDVNWTUST-VXGBXAGGSA-N 0 3 241.335 0.462 20 0 BCADHN CC1(C)CNC(=O)[C@H]1N[C@@H]1CCSC1 ZINC000895317218 583648401 /nfs/dbraw/zinc/64/84/01/583648401.db2.gz VIVFRJZAJULCJK-HTQZYQBOSA-N 0 3 214.334 0.606 20 0 BCADHN CC1(C)CNC(=O)[C@H]1N[C@H]1CCSC1 ZINC000895317220 583648591 /nfs/dbraw/zinc/64/85/91/583648591.db2.gz VIVFRJZAJULCJK-JGVFFNPUSA-N 0 3 214.334 0.606 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NC1CSC1 ZINC000895316632 583648694 /nfs/dbraw/zinc/64/86/94/583648694.db2.gz QESWAELAYFOYLW-SSDOTTSWSA-N 0 3 200.307 0.216 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1N[C@H]1COCC1(C)C ZINC000895321705 583649462 /nfs/dbraw/zinc/64/94/62/583649462.db2.gz PJJLXCFODQLUEF-IUCAKERBSA-N 0 3 226.320 0.526 20 0 BCADHN CC[C@](C)(CN[C@@H]1C(=O)NCC1(C)C)OC ZINC000895322806 583650014 /nfs/dbraw/zinc/65/00/14/583650014.db2.gz WXPDGJXOZIWLSC-BXKDBHETSA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@H](COC)N[C@H]1C(=O)NCC1(C)C ZINC000895322090 583650086 /nfs/dbraw/zinc/65/00/86/583650086.db2.gz BPCZOLAEBGGLTL-BDAKNGLRSA-N 0 3 214.309 0.526 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NC[C@H]1CCCCO1 ZINC000895322785 583650118 /nfs/dbraw/zinc/65/01/18/583650118.db2.gz WTIBTMKBXYRGJO-NXEZZACHSA-N 0 3 226.320 0.670 20 0 BCADHN Cc1n[nH]cc1CN1C[C@@H](O)C[C@]1(C)CO ZINC000895330348 583653571 /nfs/dbraw/zinc/65/35/71/583653571.db2.gz LHSLGLKLXCEDAF-WDEREUQCSA-N 0 3 225.292 0.036 20 0 BCADHN COC(=O)[C@H]1C[C@H](NCc2c[nH]cn2)C1 ZINC000895349205 583656137 /nfs/dbraw/zinc/65/61/37/583656137.db2.gz CDVVJGHAZKKGEI-ZKCHVHJHSA-N 0 3 209.249 0.451 20 0 BCADHN COC(=O)[C@H]1C[C@H](NCc2cnc[nH]2)C1 ZINC000895349205 583656139 /nfs/dbraw/zinc/65/61/39/583656139.db2.gz CDVVJGHAZKKGEI-ZKCHVHJHSA-N 0 3 209.249 0.451 20 0 BCADHN CN(CC1CN(C)C1)C[C@H]1COC(C)(C)O1 ZINC000895361640 583658933 /nfs/dbraw/zinc/65/89/33/583658933.db2.gz BUZZJWZZZCQZBZ-NSHDSACASA-N 0 3 228.336 0.631 20 0 BCADHN COC(=O)C1=CC[C@H](NCc2c[nH]cn2)C1 ZINC000895390639 583664137 /nfs/dbraw/zinc/66/41/37/583664137.db2.gz OEUJJBGDWWQITJ-VIFPVBQESA-N 0 3 221.260 0.761 20 0 BCADHN COC(=O)C1=CC[C@H](NCc2cnc[nH]2)C1 ZINC000895390639 583664138 /nfs/dbraw/zinc/66/41/38/583664138.db2.gz OEUJJBGDWWQITJ-VIFPVBQESA-N 0 3 221.260 0.761 20 0 BCADHN CN(C[C@@H](O)CN1Cc2ccncc2C1)C1CC1 ZINC000857879989 588919801 /nfs/dbraw/zinc/91/98/01/588919801.db2.gz YKMCPNCEOZBWKU-CQSZACIVSA-N 0 3 247.342 0.852 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H]1C[C@H](O)C12CCC2 ZINC000895401676 583665395 /nfs/dbraw/zinc/66/53/95/583665395.db2.gz XUNRDRRCOWSQRQ-LSJOCFKGSA-N 0 3 227.304 0.831 20 0 BCADHN Cc1ncoc1CNC[C@H]1COCCN1C ZINC000895402459 583665404 /nfs/dbraw/zinc/66/54/04/583665404.db2.gz MOBSWBGAJLVSNB-JTQLQIEISA-N 0 3 225.292 0.403 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1COCC1(C)C ZINC000895413585 583666397 /nfs/dbraw/zinc/66/63/97/583666397.db2.gz GVEGQIRPDLQGJA-IUCAKERBSA-N 0 3 230.308 0.409 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN[C@H]2C[C@@H](CO)C2)C1(F)F ZINC000895418298 583666988 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ZYBUOHFTUPUKDH-SNVBAGLBSA-N 0 3 238.335 0.983 20 0 BCADHN CN1CC[C@@H](c2nc(-c3cccnn3)no2)C1 ZINC000897026015 583871690 /nfs/dbraw/zinc/87/16/90/583871690.db2.gz UZUWAUHYFDODPH-MRVPVSSYSA-N 0 3 231.259 0.946 20 0 BCADHN Cc1ccc(N2CCN(C)CCN(C)CC2)nn1 ZINC000897095598 583879517 /nfs/dbraw/zinc/87/95/17/583879517.db2.gz VJHVXMSFXVZMBC-UHFFFAOYSA-N 0 3 249.362 0.469 20 0 BCADHN CCOCCOCCNC1CSC1 ZINC000897205991 583894273 /nfs/dbraw/zinc/89/42/73/583894273.db2.gz ZMSJXZAPCRMEIG-UHFFFAOYSA-N 0 3 205.323 0.745 20 0 BCADHN OCCN1CCC[C@H]2[C@H]1CCN2c1cccnn1 ZINC000897221016 583896956 /nfs/dbraw/zinc/89/69/56/583896956.db2.gz GAIOXPGBRKAUSF-NEPJUHHUSA-N 0 3 248.330 0.512 20 0 BCADHN Cc1ncc(CN[C@H]2C[C@H](C(N)=O)C2)s1 ZINC000858249275 588940205 /nfs/dbraw/zinc/94/02/05/588940205.db2.gz NGCNNMDTQBFDOG-ZKCHVHJHSA-N 0 3 225.317 0.805 20 0 BCADHN OCCN1CCC[C@H]2[C@@H]1CCN2c1cnccn1 ZINC000897218808 583897218 /nfs/dbraw/zinc/89/72/18/583897218.db2.gz GVUFGEJYSNLGED-RYUDHWBXSA-N 0 3 248.330 0.512 20 0 BCADHN CCN(CCCOC(C)C)CC(=O)NC ZINC000728688425 583904545 /nfs/dbraw/zinc/90/45/45/583904545.db2.gz OYMPTUYSGSDXNM-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN Cn1nccc1[C@H](O)CNC1CSC1 ZINC000897302858 583912365 /nfs/dbraw/zinc/91/23/65/583912365.db2.gz YVBSSGBYKTUWOB-SECBINFHSA-N 0 3 213.306 0.159 20 0 BCADHN COCCN(C)CCCNC(=O)/C=C\SC ZINC000751564215 583915504 /nfs/dbraw/zinc/91/55/04/583915504.db2.gz OMNHDEPIXLOVPM-YHYXMXQVSA-N 0 3 246.376 0.948 20 0 BCADHN CN1CCOC[C@@H]1CNCc1ccc(F)nc1 ZINC000858276245 588942141 /nfs/dbraw/zinc/94/21/41/588942141.db2.gz LPYKYTZJGYVSBB-NSHDSACASA-N 0 3 239.294 0.641 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)C[C@H]1COC(=O)C1 ZINC000870549933 583922781 /nfs/dbraw/zinc/92/27/81/583922781.db2.gz KPZLUNKCQHOJCY-UWVGGRQHSA-N 0 3 243.303 0.823 20 0 BCADHN COC(=O)[C@H]1[C@H](CN[C@H]2C[C@H](CO)C2)C1(F)F ZINC000897357600 583937064 /nfs/dbraw/zinc/93/70/64/583937064.db2.gz LKDNVAVSJLVDDS-XSPKLOCKSA-N 0 3 249.257 0.401 20 0 BCADHN OCCCCN1CCCC[C@H]1C1OCCO1 ZINC000728928478 583937422 /nfs/dbraw/zinc/93/74/22/583937422.db2.gz UVANPURVGWZYNW-NSHDSACASA-N 0 3 229.320 0.986 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000858319448 588944850 /nfs/dbraw/zinc/94/48/50/588944850.db2.gz LCFFHOQJLFJQFW-VLEAKVRGSA-N 0 3 244.335 0.940 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C ZINC000858319988 588944946 /nfs/dbraw/zinc/94/49/46/588944946.db2.gz VHGXIUYJUDTDEK-DJLDLDEBSA-N 0 3 216.281 0.162 20 0 BCADHN CON(C)C(=O)[C@H](C)NC[C@H]1CCCOC1 ZINC000858319300 588945143 /nfs/dbraw/zinc/94/51/43/588945143.db2.gz FVPNRZFXYFKJKZ-VHSXEESVSA-N 0 3 230.308 0.411 20 0 BCADHN CC(C)OCCCN(C)[C@@H]1CCC(=O)NC1=O ZINC000799124162 583957566 /nfs/dbraw/zinc/95/75/66/583957566.db2.gz GDVXRTDIBPKHBQ-SNVBAGLBSA-N 0 3 242.319 0.539 20 0 BCADHN C[C@@]1(O)CCCN([C@H]2CCC(=O)NC2=O)CC1 ZINC000799167698 583958319 /nfs/dbraw/zinc/95/83/19/583958319.db2.gz CRVHQHNZZLNHBG-JOYOIKCWSA-N 0 3 240.303 0.029 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CCCSC1 ZINC000858323208 588945451 /nfs/dbraw/zinc/94/54/51/588945451.db2.gz RNIIZEGKLDEJQG-BDAKNGLRSA-N 0 3 232.349 0.880 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000858322810 588945541 /nfs/dbraw/zinc/94/55/41/588945541.db2.gz KBVVIZPRDNYUPY-SGIHWFKDSA-N 0 3 230.308 0.550 20 0 BCADHN CCNC(=O)[C@@H](C)Nc1ccnc(CO)c1 ZINC000858323274 588945613 /nfs/dbraw/zinc/94/56/13/588945613.db2.gz FNDHOOIAPMSGCA-MRVPVSSYSA-N 0 3 223.276 0.510 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@H](C)C(=O)N(C)OC)CO1 ZINC000858323890 588945629 /nfs/dbraw/zinc/94/56/29/588945629.db2.gz NXLSSSKGAOVEIH-OPRDCNLKSA-N 0 3 230.308 0.552 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1CO[C@@H](C)C1 ZINC000858323146 588945780 /nfs/dbraw/zinc/94/57/80/588945780.db2.gz DPRZCXOCGUHHFA-YIZRAAEISA-N 0 3 216.281 0.162 20 0 BCADHN CON(C)C(=O)[C@@H](C)NC[C@H]1CCCOC1 ZINC000858322685 588945802 /nfs/dbraw/zinc/94/58/02/588945802.db2.gz FVPNRZFXYFKJKZ-NXEZZACHSA-N 0 3 230.308 0.411 20 0 BCADHN CN(C)CCN(C(=O)[C@H]1CCCN1C)C1CC1 ZINC000897423683 583964695 /nfs/dbraw/zinc/96/46/95/583964695.db2.gz RKKPYAAXZUWIKM-GFCCVEGCSA-N 0 3 239.363 0.633 20 0 BCADHN CN(CC(=O)N1CC[C@H]1CO)C1CCC1 ZINC000889154961 583980344 /nfs/dbraw/zinc/98/03/44/583980344.db2.gz UCQSFPNNLRGZIA-JTQLQIEISA-N 0 3 212.293 0.064 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@H]1CCC=CO1 ZINC000862725300 583968250 /nfs/dbraw/zinc/96/82/50/583968250.db2.gz BFJQNWQRPCJSHV-GHMZBOCLSA-N 0 3 224.304 0.890 20 0 BCADHN COCCNCCNC(=O)C[C@H]1CCCCO1 ZINC000212704829 583971779 /nfs/dbraw/zinc/97/17/79/583971779.db2.gz GSHYLXXQEQQQHV-LLVKDONJSA-N 0 3 244.335 0.298 20 0 BCADHN C[C@H](CO)NC(=O)NCCN1CC[C@H](C)C1 ZINC000897428079 583972585 /nfs/dbraw/zinc/97/25/85/583972585.db2.gz CUBPJPAJJGYKHI-VHSXEESVSA-N 0 3 229.324 0.008 20 0 BCADHN CN(CC(=O)N1CC[C@@H]1CO)C1CCC1 ZINC000889154963 583980221 /nfs/dbraw/zinc/98/02/21/583980221.db2.gz UCQSFPNNLRGZIA-SNVBAGLBSA-N 0 3 212.293 0.064 20 0 BCADHN CC[C@H](CO)NC(=O)NCCN1CC[C@@H](C)C1 ZINC000897441948 583984591 /nfs/dbraw/zinc/98/45/91/583984591.db2.gz NFQFMYCFUABZNX-GHMZBOCLSA-N 0 3 243.351 0.398 20 0 BCADHN CON(C)C(=O)NCCN1CC[C@H](C)C1 ZINC000897446603 583986658 /nfs/dbraw/zinc/98/66/58/583986658.db2.gz VZAWBGIWILFWHA-VIFPVBQESA-N 0 3 215.297 0.531 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)N[C@@H]2CC[C@H]2O)C1 ZINC000897464376 583988691 /nfs/dbraw/zinc/98/86/91/583988691.db2.gz LZKBGNPOVIIGKI-GMTAPVOTSA-N 0 3 241.335 0.151 20 0 BCADHN C[C@H](O)CCNC(=O)NCCN1CCC[C@H]1C ZINC000897482121 583992109 /nfs/dbraw/zinc/99/21/09/583992109.db2.gz LRPQMKOVGJUBDT-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H](O)CCNC(=O)NCCN1CCC[C@@H]1C ZINC000897482122 583992290 /nfs/dbraw/zinc/99/22/90/583992290.db2.gz LRPQMKOVGJUBDT-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)N1CCCO1 ZINC000897500028 583997625 /nfs/dbraw/zinc/99/76/25/583997625.db2.gz CGOYJKXFSUKGEE-SNVBAGLBSA-N 0 3 227.308 0.818 20 0 BCADHN Cc1noc(C)c1CN(C)c1nc(N)nc(N)n1 ZINC000858344599 588947814 /nfs/dbraw/zinc/94/78/14/588947814.db2.gz RCJPXXRYMLPJFK-UHFFFAOYSA-N 0 3 249.278 0.277 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)N[C@H]1C[C@@H](O)C1 ZINC000897509451 583998744 /nfs/dbraw/zinc/99/87/44/583998744.db2.gz ZCBBYZMBPRUIIN-GARJFASQSA-N 0 3 241.335 0.293 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)NC/C=C/CO ZINC000897514527 583999544 /nfs/dbraw/zinc/99/95/44/583999544.db2.gz SDNNRCOSCDRJLT-VUDBWIFFSA-N 0 3 241.335 0.318 20 0 BCADHN CC[C@@H](O)CNC(=O)NCCN1CCC[C@@H]1C ZINC000897515678 583999969 /nfs/dbraw/zinc/99/99/69/583999969.db2.gz YDFNYKREBTZVQZ-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN COC(=O)/C(C)=C\CN(C)CC(C)(C)O ZINC000211487365 584001183 /nfs/dbraw/zinc/00/11/83/584001183.db2.gz QMAOXFHGCYSPET-TWGQIWQCSA-N 0 3 215.293 0.808 20 0 BCADHN C[C@@H]1CC[C@H](C(N)=O)CN1c1ccnc(CO)c1 ZINC000858354196 588948192 /nfs/dbraw/zinc/94/81/92/588948192.db2.gz OIWAYOIZODKIKS-ZJUUUORDSA-N 0 3 249.314 0.664 20 0 BCADHN C[C@H](CN1CCCC1=O)Nc1ccnc(CO)c1 ZINC000858360147 588948875 /nfs/dbraw/zinc/94/88/75/588948875.db2.gz VCTUVNIAXYWGDJ-SNVBAGLBSA-N 0 3 249.314 0.997 20 0 BCADHN CS[C@@H]1CC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000858425921 588953715 /nfs/dbraw/zinc/95/37/15/588953715.db2.gz OSENZGOHDCKILR-NTSWFWBYSA-N 0 3 240.336 0.732 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)c1cocn1 ZINC000729625586 584019440 /nfs/dbraw/zinc/01/94/40/584019440.db2.gz KDPCOWINEVGPAV-SECBINFHSA-N 0 3 225.292 0.991 20 0 BCADHN COC(=O)N1CC(N[C@H](C)[C@H]2CCCCO2)C1 ZINC000858382272 588950192 /nfs/dbraw/zinc/95/01/92/588950192.db2.gz VIMOWNITQJYACN-MWLCHTKSSA-N 0 3 242.319 0.984 20 0 BCADHN COC(=O)N1CC(N[C@@H](C)[C@@H]2CCCCO2)C1 ZINC000858382276 588950240 /nfs/dbraw/zinc/95/02/40/588950240.db2.gz VIMOWNITQJYACN-ONGXEEELSA-N 0 3 242.319 0.984 20 0 BCADHN CN(C)CCNC(=S)N[C@@H]1CCCOC1 ZINC000729943856 584030834 /nfs/dbraw/zinc/03/08/34/584030834.db2.gz RRSMKKAPVQPGIU-SECBINFHSA-N 0 3 231.365 0.191 20 0 BCADHN Cc1[nH]nc(CN2C[C@H](C)[C@H](O)C2)c1C ZINC000897676731 584036417 /nfs/dbraw/zinc/03/64/17/584036417.db2.gz WUZTYEZWHBGDRL-WRWORJQWSA-N 0 3 209.293 0.839 20 0 BCADHN Cc1ncc(CN2C[C@H](C)[C@H](O)C2)n1C ZINC000897679932 584037538 /nfs/dbraw/zinc/03/75/38/584037538.db2.gz NFYHIPWAFJUWME-GZMMTYOYSA-N 0 3 209.293 0.541 20 0 BCADHN C[C@H]1CN(Cc2cnn3c2CCC3)C[C@@H]1O ZINC000897680136 584038347 /nfs/dbraw/zinc/03/83/47/584038347.db2.gz PSDOIYGUFATSGS-CABZTGNLSA-N 0 3 221.304 0.642 20 0 BCADHN CCc1nn(C)cc1CN1C[C@H](O)[C@@H](C)C1 ZINC000897681302 584039180 /nfs/dbraw/zinc/03/91/80/584039180.db2.gz QRLSQGLXXBXIHB-CABZTGNLSA-N 0 3 223.320 0.795 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN2C[C@@H](C)[C@@H](O)C2)C1(F)F ZINC000897681089 584039240 /nfs/dbraw/zinc/03/92/40/584039240.db2.gz OTSJXYJGAWDPAI-XGEHTFHBSA-N 0 3 249.257 0.353 20 0 BCADHN Cc1cnn(C)c1CN1C[C@@H](C)[C@@H](O)C1 ZINC000897681059 584039748 /nfs/dbraw/zinc/03/97/48/584039748.db2.gz YJFTXAUMVGGTFL-KOLCDFICSA-N 0 3 209.293 0.541 20 0 BCADHN CNC(=O)[C@@H]1CCCN(c2ccnc(CO)c2)C1 ZINC000858403706 588951610 /nfs/dbraw/zinc/95/16/10/588951610.db2.gz IPPINCODEUYRLF-SNVBAGLBSA-N 0 3 249.314 0.536 20 0 BCADHN CN(CC1CCC1)c1nc(N)nc(N)n1 ZINC000858406459 588951900 /nfs/dbraw/zinc/95/19/00/588951900.db2.gz LTHKDMUHTIQRFT-UHFFFAOYSA-N 0 3 208.269 0.272 20 0 BCADHN COC[C@@](C)(O)CNc1ccnc(CO)c1 ZINC000858408822 588952161 /nfs/dbraw/zinc/95/21/61/588952161.db2.gz XGRSGTVVHZESKT-NSHDSACASA-N 0 3 226.276 0.383 20 0 BCADHN Cc1c[nH]nc1CN[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897813489 584046922 /nfs/dbraw/zinc/04/69/22/584046922.db2.gz BMNAHXWZUDBETO-TWXYISROSA-N 0 3 219.288 0.984 20 0 BCADHN Cn1cc(CN[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cn1 ZINC000897824603 584052076 /nfs/dbraw/zinc/05/20/76/584052076.db2.gz INTDOJQATMHOIM-LVEVGFFFSA-N 0 3 219.288 0.686 20 0 BCADHN CN(C)c1ncc(CN[C@@H]2CC23CC(O)C3)cn1 ZINC000897851466 584054668 /nfs/dbraw/zinc/05/46/68/584054668.db2.gz ZRFMGLHFVFDPQU-QWKFWESOSA-N 0 3 248.330 0.546 20 0 BCADHN CCC[C@H](CN[C@@]1(C)CCNC1=O)OC ZINC000897868240 584055614 /nfs/dbraw/zinc/05/56/14/584055614.db2.gz GYUHRNNOMYBDQZ-KOLCDFICSA-N 0 3 214.309 0.670 20 0 BCADHN CN1CCC[C@@H]1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000897878951 584057038 /nfs/dbraw/zinc/05/70/38/584057038.db2.gz FORIAADDBNVEJT-SECBINFHSA-N 0 3 249.318 0.393 20 0 BCADHN C[N@@H+]1CCC[C@@H]1C(=O)NCc1nnc(C2CC2)[n-]1 ZINC000897878951 584057039 /nfs/dbraw/zinc/05/70/39/584057039.db2.gz FORIAADDBNVEJT-SECBINFHSA-N 0 3 249.318 0.393 20 0 BCADHN C[N@H+]1CCC[C@@H]1C(=O)NCc1nnc(C2CC2)[n-]1 ZINC000897878951 584057040 /nfs/dbraw/zinc/05/70/40/584057040.db2.gz FORIAADDBNVEJT-SECBINFHSA-N 0 3 249.318 0.393 20 0 BCADHN CN1CCC[C@H]1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000897878952 584057080 /nfs/dbraw/zinc/05/70/80/584057080.db2.gz FORIAADDBNVEJT-VIFPVBQESA-N 0 3 249.318 0.393 20 0 BCADHN C[N@@H+]1CCC[C@H]1C(=O)NCc1nnc(C2CC2)[n-]1 ZINC000897878952 584057081 /nfs/dbraw/zinc/05/70/81/584057081.db2.gz FORIAADDBNVEJT-VIFPVBQESA-N 0 3 249.318 0.393 20 0 BCADHN C[N@H+]1CCC[C@H]1C(=O)NCc1nnc(C2CC2)[n-]1 ZINC000897878952 584057082 /nfs/dbraw/zinc/05/70/82/584057082.db2.gz FORIAADDBNVEJT-VIFPVBQESA-N 0 3 249.318 0.393 20 0 BCADHN CO[C@@H]1CCOC[C@H]1NCc1cc[nH]c(=O)c1 ZINC000897889230 584057965 /nfs/dbraw/zinc/05/79/65/584057965.db2.gz OOUGVSJMXUKZRB-GHMZBOCLSA-N 0 3 238.287 0.681 20 0 BCADHN NC(=O)Cn1cc(CN[C@@H]2C[C@H]3CCC[C@H]32)nn1 ZINC000897958227 584066306 /nfs/dbraw/zinc/06/63/06/584066306.db2.gz HZYSBPZZUSSIRL-FBIMIBRVSA-N 0 3 249.318 0.042 20 0 BCADHN Cc1c[nH]nc1CNC1CC(CCO)C1 ZINC000898010651 584071390 /nfs/dbraw/zinc/07/13/90/584071390.db2.gz NLANXKFBDSEGAK-UHFFFAOYSA-N 0 3 209.293 0.969 20 0 BCADHN CCn1nncc1CNC1CC(CCO)C1 ZINC000898011135 584071394 /nfs/dbraw/zinc/07/13/94/584071394.db2.gz RZDADMWEWRXOBP-UHFFFAOYSA-N 0 3 224.308 0.549 20 0 BCADHN COc1nn(C)cc1CNCC[C@H]1CCOC1 ZINC000898026539 584076607 /nfs/dbraw/zinc/07/66/07/584076607.db2.gz ZKGSDWWWZZDCGQ-JTQLQIEISA-N 0 3 239.319 0.945 20 0 BCADHN COc1nn(C)cc1CNC1CCOCC1 ZINC000898029065 584076710 /nfs/dbraw/zinc/07/67/10/584076710.db2.gz DZTIIKQFZFEAPK-UHFFFAOYSA-N 0 3 225.292 0.697 20 0 BCADHN COc1nn(C)cc1CN[C@H](C)[C@H]1CCOC1 ZINC000898025711 584076741 /nfs/dbraw/zinc/07/67/41/584076741.db2.gz MQPZDJSZXWVWJI-ZJUUUORDSA-N 0 3 239.319 0.943 20 0 BCADHN O=c1cc(N2CC[C@H]([NH2+]CC3CC3)C2)nc[n-]1 ZINC000898154569 584087867 /nfs/dbraw/zinc/08/78/67/584087867.db2.gz GGLKZUZAEZLVNH-JTQLQIEISA-N 0 3 234.303 0.761 20 0 BCADHN CC(=O)N1CCN(c2ccnc(CO)c2)[C@H](C)C1 ZINC000858445999 588955844 /nfs/dbraw/zinc/95/58/44/588955844.db2.gz FNEJMDBGRJFNTA-SNVBAGLBSA-N 0 3 249.314 0.631 20 0 BCADHN Cn1nncc1CNCC[C@H](O)C1CC1 ZINC000898203060 584090582 /nfs/dbraw/zinc/09/05/82/584090582.db2.gz QJORHSUVHDNPEA-JTQLQIEISA-N 0 3 210.281 0.066 20 0 BCADHN COC(=O)[C@H](C)CN(C)c1ccnc(CO)c1 ZINC000858451733 588956439 /nfs/dbraw/zinc/95/64/39/588956439.db2.gz ZSOUUOLKSFSFRT-SECBINFHSA-N 0 3 238.287 0.819 20 0 BCADHN C[C@H](CCO)NCC(C)(C)S(C)(=O)=O ZINC000121037172 584119832 /nfs/dbraw/zinc/11/98/32/584119832.db2.gz DIGNJYVCILJBEX-MRVPVSSYSA-N 0 3 223.338 0.170 20 0 BCADHN O=c1ccn(CCCNCC2(F)CC2)c(=O)[nH]1 ZINC000898329760 584111782 /nfs/dbraw/zinc/11/17/82/584111782.db2.gz XCERFCLLPATQPQ-UHFFFAOYSA-N 0 3 241.266 0.431 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873299493 584129330 /nfs/dbraw/zinc/12/93/30/584129330.db2.gz RZIICNHJTXTAKX-UTLUCORTSA-N 0 3 226.320 0.798 20 0 BCADHN CON(C)CCNC(=O)CN(C)CC(C)(C)C ZINC000898466084 584139433 /nfs/dbraw/zinc/13/94/33/584139433.db2.gz STYRZAPKLIAVBM-UHFFFAOYSA-N 0 3 245.367 0.574 20 0 BCADHN CC[C@@H]1C(=O)NCCCN1C[C@H](C)COC ZINC000898546154 584141499 /nfs/dbraw/zinc/14/14/99/584141499.db2.gz RINAGDJBTRUHBQ-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN OCc1cc(N2C[C@H]3C[C@@]3(CO)C2)ccn1 ZINC000858506626 588961499 /nfs/dbraw/zinc/96/14/99/588961499.db2.gz VKEXXTSZRVMLGQ-SKDRFNHKSA-N 0 3 220.272 0.393 20 0 BCADHN NC(=O)[C@H]1C[C@H](N[C@H]2CCCc3n[nH]cc32)C1 ZINC000858494543 588960543 /nfs/dbraw/zinc/96/05/43/588960543.db2.gz KNAARFDDIWDRQZ-NRPADANISA-N 0 3 234.303 0.641 20 0 BCADHN CCN(CC)CC(=O)N1CC(N2CCCC2)C1 ZINC000898609019 584146500 /nfs/dbraw/zinc/14/65/00/584146500.db2.gz PHOQUQYGLRZBJE-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN C[C@@H]1CC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000858502762 588961032 /nfs/dbraw/zinc/96/10/32/588961032.db2.gz QHIUSISNTJYBLW-PHDIDXHHSA-N 0 3 208.269 0.637 20 0 BCADHN C[C@@]1(C(N)=O)CCN(c2ccnc(CO)c2)C1 ZINC000858524003 588962714 /nfs/dbraw/zinc/96/27/14/588962714.db2.gz AYIMNOVKOKHSSC-GFCCVEGCSA-N 0 3 235.287 0.276 20 0 BCADHN C[C@@H](C(=O)N1CCC[C@H]1c1nnc[n-]1)[NH+](C)C ZINC000899107940 584175412 /nfs/dbraw/zinc/17/54/12/584175412.db2.gz ARKXRFBSNPZKSN-IUCAKERBSA-N 0 3 237.307 0.418 20 0 BCADHN C[C@@H](C(=O)N1CCC[C@H]1c1nc[nH]n1)N(C)C ZINC000899107940 584175414 /nfs/dbraw/zinc/17/54/14/584175414.db2.gz ARKXRFBSNPZKSN-IUCAKERBSA-N 0 3 237.307 0.418 20 0 BCADHN CC[C@@H](C)N[C@H](CNC(=O)CO)c1ccco1 ZINC000899077580 584175633 /nfs/dbraw/zinc/17/56/33/584175633.db2.gz ASOBOQFUKZBFKQ-NXEZZACHSA-N 0 3 240.303 0.817 20 0 BCADHN CCNC(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000899245123 584186191 /nfs/dbraw/zinc/18/61/91/584186191.db2.gz MHJJALNNEMKEAB-GHMZBOCLSA-N 0 3 219.288 0.930 20 0 BCADHN Cn1nncc1CNc1ccnc(CO)c1 ZINC000858549016 588964801 /nfs/dbraw/zinc/96/48/01/588964801.db2.gz ZHWQMHNGCDUSJN-UHFFFAOYSA-N 0 3 219.248 0.315 20 0 BCADHN OC1(c2ccc(-c3cc[nH]n3)cc2)CNC1 ZINC000899318853 584196445 /nfs/dbraw/zinc/19/64/45/584196445.db2.gz DASNTXHOEDQBMV-UHFFFAOYSA-N 0 3 215.256 0.868 20 0 BCADHN Cc1nc(N)ccc1-c1cnn2c1CNCC2 ZINC000899323016 584196593 /nfs/dbraw/zinc/19/65/93/584196593.db2.gz LWCVPZYUTOYJCE-UHFFFAOYSA-N 0 3 229.287 0.939 20 0 BCADHN CCc1nnc(CNc2cc[nH+]c(CO)c2)[n-]1 ZINC000858556349 588965306 /nfs/dbraw/zinc/96/53/06/588965306.db2.gz IHQOKLKPPDGVLO-UHFFFAOYSA-N 0 3 233.275 0.867 20 0 BCADHN C/C(=C\Cl)CS(=O)(=O)C(C)C(N)=O ZINC000899488865 584218383 /nfs/dbraw/zinc/21/83/83/584218383.db2.gz FJVFITYCEOZUKS-MXTDHUQFSA-N 0 3 225.697 0.418 20 0 BCADHN C[C@@H](CN(C)C)NC(=S)Nc1cnn(C)c1 ZINC000899524816 584219181 /nfs/dbraw/zinc/21/91/81/584219181.db2.gz CUITWGPXODJHIN-QMMMGPOBSA-N 0 3 241.364 0.657 20 0 BCADHN CNC(=S)NC[C@@H]1CCN1C1CCOCC1 ZINC000899602608 584221122 /nfs/dbraw/zinc/22/11/22/584221122.db2.gz UOEWAKFFUBMUFT-JTQLQIEISA-N 0 3 243.376 0.334 20 0 BCADHN Cn1cnc(CCNc2ccnc(CO)c2)c1 ZINC000858566868 588967003 /nfs/dbraw/zinc/96/70/03/588967003.db2.gz ITCYFDKDXZCRGL-UHFFFAOYSA-N 0 3 232.287 0.962 20 0 BCADHN CN(CCO)CCNC(=O)Cc1ccsc1 ZINC000899727557 584229768 /nfs/dbraw/zinc/22/97/68/584229768.db2.gz DTLNQHOUDJJINC-UHFFFAOYSA-N 0 3 242.344 0.331 20 0 BCADHN CN(CCO)CCNC(=O)[C@@H]1CC=CCC1 ZINC000899726334 584229804 /nfs/dbraw/zinc/22/98/04/584229804.db2.gz LEOSXXYHTIGYNL-LLVKDONJSA-N 0 3 226.320 0.383 20 0 BCADHN CCC(CC)C(=O)NCCN(C)CCO ZINC000899729446 584231032 /nfs/dbraw/zinc/23/10/32/584231032.db2.gz GKNPKQUYLUTYGY-UHFFFAOYSA-N 0 3 216.325 0.463 20 0 BCADHN CN(CCO)CCNC(=O)c1ccc(Cl)o1 ZINC000899729845 584231077 /nfs/dbraw/zinc/23/10/77/584231077.db2.gz PIUKJISVVYXJCI-UHFFFAOYSA-N 0 3 246.694 0.587 20 0 BCADHN CN(CCO)CCNC(=O)[C@@H]1CC12CCC2 ZINC000899734801 584231452 /nfs/dbraw/zinc/23/14/52/584231452.db2.gz SXDBZLNNIGCHEA-JTQLQIEISA-N 0 3 226.320 0.217 20 0 BCADHN CS[C@@H](C)CCC(=O)NCCN(C)CCO ZINC000899736327 584231899 /nfs/dbraw/zinc/23/18/99/584231899.db2.gz AJTCCVSVZQKXKH-JTQLQIEISA-N 0 3 248.392 0.558 20 0 BCADHN CN(CCO)CCNC(=O)C1CC(C)(C)C1 ZINC000899737537 584232659 /nfs/dbraw/zinc/23/26/59/584232659.db2.gz KVDHOZXWGQQPDC-UHFFFAOYSA-N 0 3 228.336 0.463 20 0 BCADHN CC[C@H](C)[C@@H](OC)C(=O)NCCN(C)CCO ZINC000899738206 584232702 /nfs/dbraw/zinc/23/27/02/584232702.db2.gz SZJVSXSGUUEAAU-WDEREUQCSA-N 0 3 246.351 0.088 20 0 BCADHN CC(C)C[C@@H](C)C(=O)NCCN(C)CCO ZINC000899738307 584233205 /nfs/dbraw/zinc/23/32/05/584233205.db2.gz YMJOOKSXDOTKQL-LLVKDONJSA-N 0 3 230.352 0.709 20 0 BCADHN CN(CCO)CCNC(=O)[C@H]1CCCC12CC2 ZINC000899742098 584234324 /nfs/dbraw/zinc/23/43/24/584234324.db2.gz YVPSHYYRMOAFIU-LLVKDONJSA-N 0 3 240.347 0.607 20 0 BCADHN C[C@H]1CCC[C@@H](C(=O)NCCN(C)CCO)C1 ZINC000899733556 584234718 /nfs/dbraw/zinc/23/47/18/584234718.db2.gz DAUWGILBDZQACM-NWDGAFQWSA-N 0 3 242.363 0.853 20 0 BCADHN CN(CCO)CCNC(=O)C1CC(F)(F)C1 ZINC000899734342 584235423 /nfs/dbraw/zinc/23/54/23/584235423.db2.gz AYRQGKDKBMXBDM-UHFFFAOYSA-N 0 3 236.262 0.072 20 0 BCADHN CCC1(C(=O)NCCN(C)CCO)CCC1 ZINC000899734406 584235587 /nfs/dbraw/zinc/23/55/87/584235587.db2.gz DXMDHWYGJRUZOK-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H](C)[C@H]1CCCO1 ZINC000858578160 588968400 /nfs/dbraw/zinc/96/84/00/588968400.db2.gz HILZRBMQIUXDAI-KXUCPTDWSA-N 0 3 230.308 0.552 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H](C)[C@H]1CCCCO1 ZINC000858580553 588968597 /nfs/dbraw/zinc/96/85/97/588968597.db2.gz RDPGQIHGZVJPJQ-OUAUKWLOSA-N 0 3 244.335 0.942 20 0 BCADHN COCC1(C)CN(C[C@H](O)C2(O)CCC2)C1 ZINC000899883663 584246428 /nfs/dbraw/zinc/24/64/28/584246428.db2.gz QKEBMMCSGHAVOF-JTQLQIEISA-N 0 3 229.320 0.231 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H](C)[C@H]1CCCCO1 ZINC000858580552 588968655 /nfs/dbraw/zinc/96/86/55/588968655.db2.gz RDPGQIHGZVJPJQ-GARJFASQSA-N 0 3 244.335 0.942 20 0 BCADHN C/C=C/[C@H](O)C(=O)N(C)C1CCN(C)CC1 ZINC000899908932 584249516 /nfs/dbraw/zinc/24/95/16/584249516.db2.gz HJVVRVWSOQKDIX-ZWNMCFTASA-N 0 3 226.320 0.476 20 0 BCADHN CCc1nnc(C(=O)NCCN(C)C)s1 ZINC000899920623 584251596 /nfs/dbraw/zinc/25/15/96/584251596.db2.gz QPWVPHRCAWGGQM-UHFFFAOYSA-N 0 3 228.321 0.392 20 0 BCADHN COC[C@H](O)CN1CC(Cc2ccoc2)C1 ZINC000899916321 584254888 /nfs/dbraw/zinc/25/48/88/584254888.db2.gz HUKUYCCACJIPIG-GFCCVEGCSA-N 0 3 225.288 0.761 20 0 BCADHN CN1CCCN(C(=O)CCc2cn[nH]c2)CC1 ZINC000899935788 584257648 /nfs/dbraw/zinc/25/76/48/584257648.db2.gz MRFBQSNQDNDALH-UHFFFAOYSA-N 0 3 236.319 0.506 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H](C)[C@@H]1CCCO1 ZINC000858586826 588969833 /nfs/dbraw/zinc/96/98/33/588969833.db2.gz HILZRBMQIUXDAI-BBBLOLIVSA-N 0 3 230.308 0.552 20 0 BCADHN CON(C)C(=O)[C@@H](C)NC1CCSCC1 ZINC000858586858 588969872 /nfs/dbraw/zinc/96/98/72/588969872.db2.gz LSKNNHQIACBQJE-MRVPVSSYSA-N 0 3 232.349 0.880 20 0 BCADHN COCc1noc(-c2ccc3c(n2)CNCC3)n1 ZINC000900003028 584263061 /nfs/dbraw/zinc/26/30/61/584263061.db2.gz BOGBTLHFFPTUCM-UHFFFAOYSA-N 0 3 246.270 0.924 20 0 BCADHN C/C=C\[C@@H](O)C(=O)NC1CCN(C)CC1 ZINC000900002391 584263214 /nfs/dbraw/zinc/26/32/14/584263214.db2.gz RMRXMBNRXWARGU-UMBAGQNISA-N 0 3 212.293 0.134 20 0 BCADHN C/C=C/[C@H](O)C(=O)NC1CCN(CC)CC1 ZINC000900010415 584265412 /nfs/dbraw/zinc/26/54/12/584265412.db2.gz YKPOQHFOBZJSLT-TZNOJPMFSA-N 0 3 226.320 0.524 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)Cc1c[nH]cn1 ZINC000900010369 584265804 /nfs/dbraw/zinc/26/58/04/584265804.db2.gz XXYMRDGNJBPWEY-NSHDSACASA-N 0 3 236.319 0.553 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1COC(C)(C)C1 ZINC000858588966 588970288 /nfs/dbraw/zinc/97/02/88/588970288.db2.gz WMUZWLBHIDNVKO-RKDXNWHRSA-N 0 3 230.308 0.552 20 0 BCADHN CCONC(=O)c1ccnn1CCN(C)C ZINC000900075581 584269191 /nfs/dbraw/zinc/26/91/91/584269191.db2.gz AEIUMXJWQYJPOW-UHFFFAOYSA-N 0 3 226.280 0.126 20 0 BCADHN CC[C@H]1CN(C(=O)C23CCN(CC2)C3)CCO1 ZINC000900107338 584276782 /nfs/dbraw/zinc/27/67/82/584276782.db2.gz LBVGOVKRBMBXQU-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN CCN(CCOC)C(=O)C12CCN(CC1)C2 ZINC000900144293 584277082 /nfs/dbraw/zinc/27/70/82/584277082.db2.gz XCDGBDXFGUFSMP-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN C=CC(=O)N(CC)CC(=O)NC[C@@H](C)N(C)C ZINC000900162883 584281041 /nfs/dbraw/zinc/28/10/41/584281041.db2.gz KFRNEKCAWVPISX-SNVBAGLBSA-N 0 3 241.335 0.087 20 0 BCADHN CC1(C)CN(C(=O)C23CCN(CC2)C3)CCO1 ZINC000900185430 584284214 /nfs/dbraw/zinc/28/42/14/584284214.db2.gz FLNJDKKYHDSOQU-UHFFFAOYSA-N 0 3 238.331 0.720 20 0 BCADHN C/C=C/[C@H](O)C(=O)NCCN1CCCCC1 ZINC000900206896 584286194 /nfs/dbraw/zinc/28/61/94/584286194.db2.gz DPNIDRAQEMWCOE-GSQGTZRGSA-N 0 3 226.320 0.526 20 0 BCADHN C/C=C/[C@H](O)C(=O)NCCN1CCCC[C@@H]1C ZINC000900209367 584286278 /nfs/dbraw/zinc/28/62/78/584286278.db2.gz QKDGVOQXYWVCEK-NDYVEPOPSA-N 0 3 240.347 0.914 20 0 BCADHN C/C=C/[C@H](O)C(=O)NCCN1CCCC[C@H]1C ZINC000900209369 584286661 /nfs/dbraw/zinc/28/66/61/584286661.db2.gz QKDGVOQXYWVCEK-ZBWCZXCSSA-N 0 3 240.347 0.914 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1c1ccnc(CO)c1 ZINC000858628622 588971809 /nfs/dbraw/zinc/97/18/09/588971809.db2.gz WCVLVYZHCHFIGU-BXKDBHETSA-N 0 3 222.288 0.924 20 0 BCADHN CN(C[C@H]1COCCO1)c1ccnc(CO)c1 ZINC000858626487 588971818 /nfs/dbraw/zinc/97/18/18/588971818.db2.gz FBYNUGQESKHCEU-LBPRGKRZSA-N 0 3 238.287 0.426 20 0 BCADHN CN(CC1CC1)C(=O)C[C@]1(O)CCCN(C)C1 ZINC000900269326 584290925 /nfs/dbraw/zinc/29/09/25/584290925.db2.gz MVFXUEOIJIPAMK-CYBMUJFWSA-N 0 3 240.347 0.702 20 0 BCADHN CCn1cc(CNc2ccnc(CO)c2)nn1 ZINC000858626156 588972034 /nfs/dbraw/zinc/97/20/34/588972034.db2.gz RFQDTRLKKZURJB-UHFFFAOYSA-N 0 3 233.275 0.797 20 0 BCADHN Cc1cc(N[C@H]2C[C@H](C(N)=O)C2)nc(N)n1 ZINC000858720080 588975109 /nfs/dbraw/zinc/97/51/09/588975109.db2.gz IWIPWBJNRYOUDI-LJGSYFOKSA-N 0 3 221.264 0.043 20 0 BCADHN Cc1cc(CNC(=O)C23CCN(CC2)C3)no1 ZINC000900368610 584297295 /nfs/dbraw/zinc/29/72/95/584297295.db2.gz JLCCXEQVXFNTMT-UHFFFAOYSA-N 0 3 235.287 0.695 20 0 BCADHN C/C=C\[C@@H](O)C(=O)NCCN(C)C1CC1 ZINC000900368014 584297566 /nfs/dbraw/zinc/29/75/66/584297566.db2.gz YGTKTXDZMJJLHV-UMBAGQNISA-N 0 3 212.293 0.134 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000900371916 584298141 /nfs/dbraw/zinc/29/81/41/584298141.db2.gz KVNQKYHFBNRFIS-GZWSGWKISA-N 0 3 224.304 0.276 20 0 BCADHN C[C@@H]1CCN(C(=O)C23CCN(CC2)C3)C1 ZINC000900483075 584315906 /nfs/dbraw/zinc/31/59/06/584315906.db2.gz ARUMEZNTRPENSR-SNVBAGLBSA-N 0 3 208.305 0.951 20 0 BCADHN C[C@H]1CCN(C(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900483067 584315934 /nfs/dbraw/zinc/31/59/34/584315934.db2.gz AMKBURWUUVZKRS-AAEUAGOBSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H]1CCN(C(=O)C23CCN(CC2)C3)C1 ZINC000900483074 584316035 /nfs/dbraw/zinc/31/60/35/584316035.db2.gz ARUMEZNTRPENSR-JTQLQIEISA-N 0 3 208.305 0.951 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)Cc1cnc[nH]1 ZINC000900523031 584318338 /nfs/dbraw/zinc/31/83/38/584318338.db2.gz LJNXYNOGIOHIOK-LLVKDONJSA-N 0 3 236.319 0.505 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1n[nH]cc1F ZINC000900522699 584318571 /nfs/dbraw/zinc/31/85/71/584318571.db2.gz GVILNAZOXFSPCL-MRVPVSSYSA-N 0 3 240.282 0.715 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000900523197 584318640 /nfs/dbraw/zinc/31/86/40/584318640.db2.gz NRCWRLXENRKVBU-SRVKXCTJSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000900525870 584319341 /nfs/dbraw/zinc/31/93/41/584319341.db2.gz AJFJRRSEXFIKHO-UTUOFQBUSA-N 0 3 242.363 0.946 20 0 BCADHN C/C=C/[C@H](O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000900520201 584321092 /nfs/dbraw/zinc/32/10/92/584321092.db2.gz OIQWZBACKINAQZ-OMJJQCQUSA-N 0 3 238.331 0.620 20 0 BCADHN CO[C@H]1CCCN(C(=O)C23CCN(CC2)C3)C1 ZINC000900547804 584321363 /nfs/dbraw/zinc/32/13/63/584321363.db2.gz MAJZTGVELHBHMO-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN C/C=C\[C@H](O)C(=O)NCCN(CC)C1CC1 ZINC000900552334 584321686 /nfs/dbraw/zinc/32/16/86/584321686.db2.gz HEYJGHLYNRINRE-MZBZXASESA-N 0 3 226.320 0.524 20 0 BCADHN C/C=C\[C@@H](O)C(=O)N1CCCN(C(C)C)CC1 ZINC000900540889 584323732 /nfs/dbraw/zinc/32/37/32/584323732.db2.gz SWCPLLMNWXQNRJ-TXNVCOODSA-N 0 3 240.347 0.866 20 0 BCADHN C/C=C/[C@H](O)C(=O)N(C)CCN1CCCC1 ZINC000900562465 584325009 /nfs/dbraw/zinc/32/50/09/584325009.db2.gz YRKBIEVONPQXFQ-GQOHGMTASA-N 0 3 226.320 0.478 20 0 BCADHN C[C@H](CNC(=O)CCF)N(C)C1CC1 ZINC000900544957 584325196 /nfs/dbraw/zinc/32/51/96/584325196.db2.gz XURMEJLGXVEMOA-MRVPVSSYSA-N 0 3 202.273 0.945 20 0 BCADHN C/C=C\[C@@H](O)C(=O)N(C)CC1CCN(C)CC1 ZINC000900575370 584327454 /nfs/dbraw/zinc/32/74/54/584327454.db2.gz VMZVKWBJIIGFJY-QMAVJUDZSA-N 0 3 240.347 0.724 20 0 BCADHN CN1CCC[C@@H](NC(=O)CNc2ccccn2)C1 ZINC000900589537 584328784 /nfs/dbraw/zinc/32/87/84/584328784.db2.gz KWKLPHWYUHHMDH-LLVKDONJSA-N 0 3 248.330 0.704 20 0 BCADHN C/C=C\[C@@H](O)C(=O)N(CCN(C)C)CC(C)C ZINC000900587205 584328801 /nfs/dbraw/zinc/32/88/01/584328801.db2.gz VHUCZAAROIAHPK-ZHRWSRJISA-N 0 3 242.363 0.970 20 0 BCADHN O=C(N[C@H]1CCCOC1)C12CCN(CC1)C2 ZINC000900603145 584330054 /nfs/dbraw/zinc/33/00/54/584330054.db2.gz UYKVPQLCGSYKPL-JTQLQIEISA-N 0 3 224.304 0.377 20 0 BCADHN CN1CCC[C@](O)(CC(=O)NC2CCC2)C1 ZINC000900617672 584332341 /nfs/dbraw/zinc/33/23/41/584332341.db2.gz SILZIJOQUSHJKW-LBPRGKRZSA-N 0 3 226.320 0.502 20 0 BCADHN O=C(CCF)N[C@H]1CCN(CC2CC2)C1 ZINC000900627918 584333522 /nfs/dbraw/zinc/33/35/22/584333522.db2.gz UUWRLGDEHAZFSV-JTQLQIEISA-N 0 3 214.284 0.947 20 0 BCADHN CCN1CCCN(C(=O)[C@@H]2C[C@H](C)CO2)CC1 ZINC000900634015 584334244 /nfs/dbraw/zinc/33/42/44/584334244.db2.gz PYLUCYQGAORBRS-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000900631189 584334263 /nfs/dbraw/zinc/33/42/63/584334263.db2.gz XUNHDHYWVFZKHJ-SRVKXCTJSA-N 0 3 242.363 0.851 20 0 BCADHN CN(C)CCc1cn(CCOC(F)F)nn1 ZINC000900650920 584336605 /nfs/dbraw/zinc/33/66/05/584336605.db2.gz QMDNLJBUPDOXQR-UHFFFAOYSA-N 0 3 234.250 0.621 20 0 BCADHN C/C=C/[C@H](O)C(=O)NC[C@H]1CCCCN1CC ZINC000900659254 584336897 /nfs/dbraw/zinc/33/68/97/584336897.db2.gz MQGOOOUPMBKOGZ-HNFQPOCMSA-N 0 3 240.347 0.914 20 0 BCADHN CCN1CCN([C@H](C)CNC(=O)CCF)CC1 ZINC000900685817 584341322 /nfs/dbraw/zinc/34/13/22/584341322.db2.gz HTVIXUOVADXYNV-LLVKDONJSA-N 0 3 245.342 0.488 20 0 BCADHN C/C=C\[C@H](O)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000900731060 584346985 /nfs/dbraw/zinc/34/69/85/584346985.db2.gz IYIPRKNQQONJDJ-FWHUQXJJSA-N 0 3 240.347 0.914 20 0 BCADHN CC[C@H](COC)NC(=O)C12CCN(CC1)C2 ZINC000900783534 584350854 /nfs/dbraw/zinc/35/08/54/584350854.db2.gz OUWZBMHPLFIHNZ-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN Cc1cc(N2C[C@@H]3CCC[C@]3(CO)C2)nc(N)n1 ZINC000858803161 588977162 /nfs/dbraw/zinc/97/71/62/588977162.db2.gz VGBYYKWGHUCSOD-GXFFZTMASA-N 0 3 248.330 0.966 20 0 BCADHN CN(C(=O)C[C@@]1(O)CCCN(C)C1)C1CCC1 ZINC000900855809 584357722 /nfs/dbraw/zinc/35/77/22/584357722.db2.gz VHLVATYEHKKRFJ-ZDUSSCGKSA-N 0 3 240.347 0.844 20 0 BCADHN C/C=C\[C@H](O)C(=O)NCCN(C)CCCOC ZINC000900836498 584358885 /nfs/dbraw/zinc/35/88/85/584358885.db2.gz OMLYNMLJLFBLDB-QZPNVGJNSA-N 0 3 244.335 0.008 20 0 BCADHN C/C=C/[C@@H](O)C(=O)NCCN(C)CCCOC ZINC000900836496 584359290 /nfs/dbraw/zinc/35/92/90/584359290.db2.gz OMLYNMLJLFBLDB-DUMNWFOQSA-N 0 3 244.335 0.008 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)NCCN1CC[C@H](C)C1 ZINC000900912880 584365536 /nfs/dbraw/zinc/36/55/36/584365536.db2.gz OVKFSPMZEVMODZ-SRVKXCTJSA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@@H](O)[C@H](C)C(=O)N(C)CCN(C)C ZINC000900926659 584366570 /nfs/dbraw/zinc/36/65/70/584366570.db2.gz JBKRVLRWLUXBDK-VHSXEESVSA-N 0 3 216.325 0.413 20 0 BCADHN CCC/C=C/[C@@H](O)C(=O)N1CCNC(C)(C)C1 ZINC000900938273 584367207 /nfs/dbraw/zinc/36/72/07/584367207.db2.gz RNVKGVONZLPJKB-XUIVZRPNSA-N 0 3 240.347 0.914 20 0 BCADHN CN(C)[C@@]1(CNC(=O)CCF)CCSC1 ZINC000900943885 584368534 /nfs/dbraw/zinc/36/85/34/584368534.db2.gz FWXVOVWWFUBMBF-SNVBAGLBSA-N 0 3 234.340 0.900 20 0 BCADHN CN1CCC[C@@](O)(CC(=O)NC2CC=CC2)C1 ZINC000901049293 584378419 /nfs/dbraw/zinc/37/84/19/584378419.db2.gz CWMVCESABVUVDH-CYBMUJFWSA-N 0 3 238.331 0.668 20 0 BCADHN Cc1c[nH]c(NC(=O)C23CCN(CC2)C3)n1 ZINC000901053402 584379991 /nfs/dbraw/zinc/37/99/91/584379991.db2.gz XZUCLQCYUMHJKW-UHFFFAOYSA-N 0 3 220.276 0.752 20 0 BCADHN Cn1ncnc1NC(=O)[C@H]1CC[C@@H]2CCCCN12 ZINC000901086338 584383305 /nfs/dbraw/zinc/38/33/05/584383305.db2.gz QEJOCYFHKRFMBO-VHSXEESVSA-N 0 3 249.318 0.192 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)[C@@H](CO)SC)N(C)C ZINC000901097167 584385344 /nfs/dbraw/zinc/38/53/44/584385344.db2.gz RSAISDXOXMIQFT-LPEHRKFASA-N 0 3 248.392 0.555 20 0 BCADHN COC[C@@H](NC(=O)C12CCN(CC1)C2)C1CC1 ZINC000901180060 584392374 /nfs/dbraw/zinc/39/23/74/584392374.db2.gz XKIJINDYUPKUAY-LLVKDONJSA-N 0 3 238.331 0.623 20 0 BCADHN O=C(NCc1cccc(F)n1)C12CCN(CC1)C2 ZINC000901172448 584395541 /nfs/dbraw/zinc/39/55/41/584395541.db2.gz TTWPOAANAXZHHU-UHFFFAOYSA-N 0 3 249.289 0.933 20 0 BCADHN CC[C@@H](C(=O)N(C)C[C@@H]1CCC[C@H]1O)N(C)C ZINC000901207212 584400016 /nfs/dbraw/zinc/40/00/16/584400016.db2.gz OBYVUBLVSOEFAC-SDDRHHMPSA-N 0 3 242.363 0.946 20 0 BCADHN CC(=O)CCN(C)C(=O)[C@@]12CCN(C1)CCC2 ZINC000901248410 584409308 /nfs/dbraw/zinc/40/93/08/584409308.db2.gz ZFGBRRLKVUESER-ZDUSSCGKSA-N 0 3 238.331 0.910 20 0 BCADHN C/C=C/[C@H](O)C(=O)NCC1=CCN(C)CC1 ZINC000901329983 584424429 /nfs/dbraw/zinc/42/44/29/584424429.db2.gz JWWDJJIVZKMUOW-UFFNRZRYSA-N 0 3 224.304 0.302 20 0 BCADHN CN1CC[C@@H](Cc2nc(-c3nc[nH]n3)no2)C1 ZINC000901914094 584503275 /nfs/dbraw/zinc/50/32/75/584503275.db2.gz WMAUVQJXSBITGS-ZETCQYMHSA-N 0 3 234.263 0.349 20 0 BCADHN CC(C)N1CCCN(CN2CCOC2=O)CC1 ZINC000902108620 584523782 /nfs/dbraw/zinc/52/37/82/584523782.db2.gz GDILWGISEOVWAG-UHFFFAOYSA-N 0 3 241.335 0.812 20 0 BCADHN CCN(C[C@H]1CCOC1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902137883 584526365 /nfs/dbraw/zinc/52/63/65/584526365.db2.gz FBBJQDQHIYLPHF-WOPDTQHZSA-N 0 3 238.331 0.781 20 0 BCADHN CN(C)[C@H]1CCCN(CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902149972 584530410 /nfs/dbraw/zinc/53/04/10/584530410.db2.gz OKJJNACABKVWLG-SRVKXCTJSA-N 0 3 237.347 0.448 20 0 BCADHN O=C1OCCN1CN1CC[C@H](N2CC=CC2)C1 ZINC000902157261 584531776 /nfs/dbraw/zinc/53/17/76/584531776.db2.gz OCVJUJXBUMCTPA-NSHDSACASA-N 0 3 237.303 0.342 20 0 BCADHN CN(C[C@H]1CCCN1C)CN1CCOC1=O ZINC000902301633 584554050 /nfs/dbraw/zinc/55/40/50/584554050.db2.gz VYYUTWPKCHWLMR-SNVBAGLBSA-N 0 3 227.308 0.422 20 0 BCADHN COC1CC(CN(C)CC(=O)N2CCCC2)C1 ZINC000859050850 588993937 /nfs/dbraw/zinc/99/39/37/588993937.db2.gz UBYUDTUYDTVIRH-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN N=C(NOCc1cnns1)[C@@H]1CCCO1 ZINC000902380504 584576226 /nfs/dbraw/zinc/57/62/26/584576226.db2.gz HJLGCLJVRNGAIJ-ZETCQYMHSA-N 0 3 228.277 0.716 20 0 BCADHN N=C(NOCc1cnns1)[C@H]1CCCO1 ZINC000902380503 584576237 /nfs/dbraw/zinc/57/62/37/584576237.db2.gz HJLGCLJVRNGAIJ-SSDOTTSWSA-N 0 3 228.277 0.716 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NCCCON ZINC000902423418 584593202 /nfs/dbraw/zinc/59/32/02/584593202.db2.gz WPNNLOAPKNUUDC-QMMMGPOBSA-N 0 3 212.297 0.660 20 0 BCADHN COC(=O)c1coc([C@H](C)NCCCON)c1 ZINC000902424153 584593657 /nfs/dbraw/zinc/59/36/57/584593657.db2.gz JOLYQGXLRLULAH-QMMMGPOBSA-N 0 3 242.275 0.997 20 0 BCADHN Cc1nccnc1[C@@H](C)NCCCON ZINC000902424755 584593832 /nfs/dbraw/zinc/59/38/32/584593832.db2.gz KQWKUCYDPYJLLF-MRVPVSSYSA-N 0 3 210.281 0.716 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1cnccc1N ZINC000902513756 584619488 /nfs/dbraw/zinc/61/94/88/584619488.db2.gz HZANSLIONIIUAH-BDAKNGLRSA-N 0 3 225.292 0.152 20 0 BCADHN CN(C)CCNC(=S)N1CCCOCC1 ZINC000746346964 584623535 /nfs/dbraw/zinc/62/35/35/584623535.db2.gz VYYJPZQRCBKVSP-UHFFFAOYSA-N 0 3 231.365 0.145 20 0 BCADHN CCNc1ccccc1CNC[C@@](C)(O)CO ZINC000902542672 584628845 /nfs/dbraw/zinc/62/88/45/584628845.db2.gz YWPFRJQYPJZNBJ-CYBMUJFWSA-N 0 3 238.331 0.951 20 0 BCADHN CNc1ccccc1CNC[C@H](O)CO ZINC000902532181 584633418 /nfs/dbraw/zinc/63/34/18/584633418.db2.gz HBTRGWYYXJIGEB-JTQLQIEISA-N 0 3 210.277 0.171 20 0 BCADHN CCNc1ccccc1CN[C@H](CO)[C@@H](C)O ZINC000902596855 584636373 /nfs/dbraw/zinc/63/63/73/584636373.db2.gz QLYKFMCFUZFEQT-ZWNOBZJWSA-N 0 3 238.331 0.950 20 0 BCADHN CCn1cnc(CNC[C@H]2C[C@@H](O)C2)c1 ZINC000902625365 584645977 /nfs/dbraw/zinc/64/59/77/584645977.db2.gz ADNAJGXGMPDCMH-JGZJWPJOSA-N 0 3 209.293 0.764 20 0 BCADHN CCc1noc(C(=O)NC[C@@H]2CCN(C)C2)n1 ZINC000902627656 584646491 /nfs/dbraw/zinc/64/64/91/584646491.db2.gz HRZOMXWXZQLHNZ-QMMMGPOBSA-N 0 3 238.291 0.314 20 0 BCADHN CNc1ccccc1CNCCN1CC[C@H](O)C1 ZINC000902627260 584646507 /nfs/dbraw/zinc/64/65/07/584646507.db2.gz RWYZQXNDGDHOJE-ZDUSSCGKSA-N 0 3 249.358 0.885 20 0 BCADHN CN(C)CCOCCNC(=O)OCCF ZINC000859102664 589002188 /nfs/dbraw/zinc/00/21/88/589002188.db2.gz OVYNQQLCWYVKHJ-UHFFFAOYSA-N 0 3 222.260 0.260 20 0 BCADHN COCCN1CCN(CC2CC(OC)C2)CC1 ZINC000859071718 588997257 /nfs/dbraw/zinc/99/72/57/588997257.db2.gz POHJTSTZYVDYQV-UHFFFAOYSA-N 0 3 242.363 0.675 20 0 BCADHN CC(C)(CNC(=O)CCO)N1CCCCC1 ZINC000902786078 584667795 /nfs/dbraw/zinc/66/77/95/584667795.db2.gz BUMRRGZYAKSVKE-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN O=C(CCO)N1CCN(c2ccncc2)CC1 ZINC000902790912 584672572 /nfs/dbraw/zinc/67/25/72/584672572.db2.gz PZAULQJKAZLIHR-UHFFFAOYSA-N 0 3 235.287 0.113 20 0 BCADHN C[C@@H](CNC(=O)CCO)N1CCCCC1 ZINC000902814863 584678122 /nfs/dbraw/zinc/67/81/22/584678122.db2.gz DOVZNJNGWNNAFP-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN C[C@H](N[C@@H]1CN(C2CC2)C[C@@H]1C)c1cn(C)nn1 ZINC000902836873 584679069 /nfs/dbraw/zinc/67/90/69/584679069.db2.gz ORRIBTGJAKROKL-JBLDHEPKSA-N 0 3 249.362 0.948 20 0 BCADHN O=C(CCO)N1CC[C@@H](N2CCCC2)C1 ZINC000902839758 584679783 /nfs/dbraw/zinc/67/97/83/584679783.db2.gz KFHLLBGSDJXEOS-SNVBAGLBSA-N 0 3 212.293 0.066 20 0 BCADHN O=C(CCO)N1CC[C@H](N2CCCC2)C1 ZINC000902839757 584679794 /nfs/dbraw/zinc/67/97/94/584679794.db2.gz KFHLLBGSDJXEOS-JTQLQIEISA-N 0 3 212.293 0.066 20 0 BCADHN Cn1cc(CCN2CCCC[C@H]2CO)nn1 ZINC000859077394 588998242 /nfs/dbraw/zinc/99/82/42/588998242.db2.gz QAYABBRTDVVWEO-NSHDSACASA-N 0 3 224.308 0.204 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)OC1COC1 ZINC000902846704 584681226 /nfs/dbraw/zinc/68/12/26/584681226.db2.gz KHVPSZSEZHXSMN-UHFFFAOYSA-N 0 3 242.319 0.795 20 0 BCADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)OC1COC1 ZINC000902874830 584684849 /nfs/dbraw/zinc/68/48/49/584684849.db2.gz MNIUOSPQBFQYQY-ONGXEEELSA-N 0 3 242.319 0.794 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)CCO ZINC000902857663 584685754 /nfs/dbraw/zinc/68/57/54/584685754.db2.gz PVHJXZFLPAEIHB-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)OC1COC1 ZINC000902881522 584687572 /nfs/dbraw/zinc/68/75/72/584687572.db2.gz PJNVCAXJQGGMAX-VIFPVBQESA-N 0 3 228.292 0.596 20 0 BCADHN C[C@@H](N[C@H]1CCc2n[nH]cc2C1)c1cn(C)nn1 ZINC000902882336 584688158 /nfs/dbraw/zinc/68/81/58/584688158.db2.gz UIAGAOCZSVOXAD-SCZZXKLOSA-N 0 3 246.318 0.746 20 0 BCADHN C[C@H]1[C@@H](NC(=O)Nc2ccncc2)CCN1C ZINC000902929288 584698200 /nfs/dbraw/zinc/69/82/00/584698200.db2.gz RYJUEYVSKARMHR-ONGXEEELSA-N 0 3 234.303 0.718 20 0 BCADHN CCCCN(CCO)CCc1cn(C)nn1 ZINC000859118940 589004864 /nfs/dbraw/zinc/00/48/64/589004864.db2.gz KQCWIOHOBDUSEI-UHFFFAOYSA-N 0 3 226.324 0.452 20 0 BCADHN CN(C)CC1(NC(=O)OC2COC2)CCC1 ZINC000902930695 584698768 /nfs/dbraw/zinc/69/87/68/584698768.db2.gz FUUOXEHMBMHDKE-UHFFFAOYSA-N 0 3 228.292 0.596 20 0 BCADHN C[C@H]1[C@H](NC(=O)OC2COC2)CCN1C ZINC000902968393 584703025 /nfs/dbraw/zinc/70/30/25/584703025.db2.gz HDJUMAGUIXDCPR-IONNQARKSA-N 0 3 214.265 0.204 20 0 BCADHN O=C(CCO)N[C@H]1CCCN2CCCC[C@H]12 ZINC000902950645 584704118 /nfs/dbraw/zinc/70/41/18/584704118.db2.gz NPABTEPPSHPRMW-WDEREUQCSA-N 0 3 226.320 0.502 20 0 BCADHN CC(C)(C)N1CC[C@H]1CNC(=O)OC1COC1 ZINC000902952750 584704452 /nfs/dbraw/zinc/70/44/52/584704452.db2.gz CGWYTLIEFXLFIY-VIFPVBQESA-N 0 3 242.319 0.984 20 0 BCADHN CN1CCN(C(=O)CCO)CCC1(C)C ZINC000902961534 584706391 /nfs/dbraw/zinc/70/63/91/584706391.db2.gz ZIZUQUJPUJNRKV-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN C[C@@H](N[C@H]1CCc2nc[nH]c2C1)c1cn(C)nn1 ZINC000902993951 584711423 /nfs/dbraw/zinc/71/14/23/584711423.db2.gz ZIOHEUGMHWWCDC-BDAKNGLRSA-N 0 3 246.318 0.746 20 0 BCADHN C[C@@H](N[C@H]1CCc2[nH]cnc2C1)c1cn(C)nn1 ZINC000902993951 584711425 /nfs/dbraw/zinc/71/14/25/584711425.db2.gz ZIOHEUGMHWWCDC-BDAKNGLRSA-N 0 3 246.318 0.746 20 0 BCADHN OC1(CN2CCC[C@H](F)C2)CCOCC1 ZINC000902993527 584711729 /nfs/dbraw/zinc/71/17/29/584711729.db2.gz SYMTTYYJEKMEQK-JTQLQIEISA-N 0 3 217.284 0.962 20 0 BCADHN CN1C[C@@H]2CN(C(=O)c3nccn3C)C[C@]2(C)C1 ZINC000903013613 584717823 /nfs/dbraw/zinc/71/78/23/584717823.db2.gz KPDZQICHVWTULK-MFKMUULPSA-N 0 3 248.330 0.444 20 0 BCADHN CC[C@@H](O)CN1CC[C@@H](Nc2ncccn2)C1 ZINC000903021642 584720788 /nfs/dbraw/zinc/72/07/88/584720788.db2.gz CFFYMMPWNXDYCK-GHMZBOCLSA-N 0 3 236.319 0.734 20 0 BCADHN CNC(=O)CCN1CC[C@H](Nc2ncccn2)C1 ZINC000903028389 584721728 /nfs/dbraw/zinc/72/17/28/584721728.db2.gz NPJXYYKLBDFHBD-JTQLQIEISA-N 0 3 249.318 0.099 20 0 BCADHN CCCNC(=O)CN[C@H]1CCO[C@@]12CCOC2 ZINC000903057474 584722227 /nfs/dbraw/zinc/72/22/27/584722227.db2.gz HWSCLSRUWHPWJY-CMPLNLGQSA-N 0 3 242.319 0.050 20 0 BCADHN Cn1nccc1CN[C@@H]1CCO[C@@]12CCOC2 ZINC000903064968 584722841 /nfs/dbraw/zinc/72/28/41/584722841.db2.gz FOKXCFGYGHDNQY-VXGBXAGGSA-N 0 3 237.303 0.458 20 0 BCADHN CO[C@H]1CCC[C@@H]1N[C@H](C)C(=O)N(C)OC ZINC000903208836 584736284 /nfs/dbraw/zinc/73/62/84/584736284.db2.gz AIIKRGLRBAGJSG-UTLUCORTSA-N 0 3 230.308 0.552 20 0 BCADHN CO[C@H]1CCC[C@@H]1N[C@@H](C)C(=O)N(C)OC ZINC000903208831 584736572 /nfs/dbraw/zinc/73/65/72/584736572.db2.gz AIIKRGLRBAGJSG-GUBZILKMSA-N 0 3 230.308 0.552 20 0 BCADHN COC1(OC)CC[C@H]1NC1CC(CCO)C1 ZINC000903332455 584754762 /nfs/dbraw/zinc/75/47/62/584754762.db2.gz JJHVUBQWQOUQGI-VQXHTEKXSA-N 0 3 229.320 0.889 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1NCC[C@@H](O)C1CC1 ZINC000903407183 584758540 /nfs/dbraw/zinc/75/85/40/584758540.db2.gz MTFROZGOQMXOHO-ZJUUUORDSA-N 0 3 226.320 0.262 20 0 BCADHN COC1(OC)CC[C@@H]1NCC[C@@H](O)C1CC1 ZINC000903410975 584759634 /nfs/dbraw/zinc/75/96/34/584759634.db2.gz KMSBUKVFUVCVSM-MNOVXSKESA-N 0 3 229.320 0.889 20 0 BCADHN O=S(=O)(N[C@@H]1C[C@@H]2CCC[C@H]12)C1CNC1 ZINC000903555673 584782765 /nfs/dbraw/zinc/78/27/65/584782765.db2.gz WZXKKTZHVZZECZ-UJNFCWOMSA-N 0 3 230.333 0.066 20 0 BCADHN COC(=O)[C@@H]1CNCCCN1CC1CC(C)C1 ZINC000903748954 584794821 /nfs/dbraw/zinc/79/48/21/584794821.db2.gz FAIOGZAQMRRMDF-MCIGGMRASA-N 0 3 240.347 0.869 20 0 BCADHN N[C@@H]1CN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC[C@H]1F ZINC000903765199 584797385 /nfs/dbraw/zinc/79/73/85/584797385.db2.gz FKHPNUNAFKPPNC-ROHXPCBUSA-N 0 3 244.310 0.161 20 0 BCADHN Nc1ccnc(CNC2CCOCC2)c1 ZINC000903950646 584830886 /nfs/dbraw/zinc/83/08/86/584830886.db2.gz PNHVZDFAOMZCOL-UHFFFAOYSA-N 0 3 207.277 0.932 20 0 BCADHN CN1CC[C@@H](Cc2nc(-c3ccnn3C)no2)C1 ZINC000904108840 584841610 /nfs/dbraw/zinc/84/16/10/584841610.db2.gz SYTXUIAIQDHUKF-VIFPVBQESA-N 0 3 247.302 0.964 20 0 BCADHN CN1CC[C@H](Cc2nc(-c3c[nH]cn3)no2)C1 ZINC000904090951 584842106 /nfs/dbraw/zinc/84/21/06/584842106.db2.gz RGRXYMVECMKIQQ-MRVPVSSYSA-N 0 3 233.275 0.954 20 0 BCADHN CCc1cc(-c2nc(N3CCNCC3)no2)no1 ZINC000904126520 584842638 /nfs/dbraw/zinc/84/26/38/584842638.db2.gz MGBYGLOHNLBFFD-UHFFFAOYSA-N 0 3 249.274 0.697 20 0 BCADHN CCCCN(O)C(=O)NCCOCCN(C)C ZINC000904183132 584844898 /nfs/dbraw/zinc/84/48/98/584844898.db2.gz FJLRRBQRBQRUIX-UHFFFAOYSA-N 0 3 247.339 0.766 20 0 BCADHN Nc1ccc(CN(CCCCO)C2CC2)nn1 ZINC000904320765 584864158 /nfs/dbraw/zinc/86/41/58/584864158.db2.gz OGPGTCYOKSNVPF-UHFFFAOYSA-N 0 3 236.319 0.796 20 0 BCADHN CC[C@](C)(CCO)NCc1ccc(N)nn1 ZINC000904328533 584865418 /nfs/dbraw/zinc/86/54/18/584865418.db2.gz GLWXMNLGIPNLOC-LLVKDONJSA-N 0 3 224.308 0.700 20 0 BCADHN CCC[C@@](C)(CO)NCc1ccc(N)nn1 ZINC000904329950 584866229 /nfs/dbraw/zinc/86/62/29/584866229.db2.gz VMDBWPJRJIHGGB-NSHDSACASA-N 0 3 224.308 0.700 20 0 BCADHN C[C@@H]1CN(Cc2ccc(N)nn2)[C@@H](C)CN1C ZINC000904340756 584866616 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/nfs/dbraw/zinc/91/10/58/584911058.db2.gz CATMBVCPIONZBQ-FYBVGQRMSA-N 0 3 240.278 0.711 20 0 BCADHN C/C(=C\C(=O)NC[C@]1(O)CCN(C)C1)C1CC1 ZINC000762722041 584915018 /nfs/dbraw/zinc/91/50/18/584915018.db2.gz JCFPDUHSIGUGND-UTSBKAFOSA-N 0 3 238.331 0.526 20 0 BCADHN O=C(NCCNc1ccncc1)C1=COCCC1 ZINC000730833182 584917507 /nfs/dbraw/zinc/91/75/07/584917507.db2.gz VGTPEDBXWOWAMB-UHFFFAOYSA-N 0 3 247.298 0.726 20 0 BCADHN C/C=C\C(=O)N[C@H]1CCN(CCOC)C1 ZINC000730841543 584917758 /nfs/dbraw/zinc/91/77/58/584917758.db2.gz FFKIOKJTHMORDU-XOULXFPDSA-N 0 3 212.293 0.399 20 0 BCADHN C/C=C/C(=O)N[C@H]1CCN(CCOC)C1 ZINC000730841540 584917819 /nfs/dbraw/zinc/91/78/19/584917819.db2.gz FFKIOKJTHMORDU-FSIBCCDJSA-N 0 3 212.293 0.399 20 0 BCADHN CC(C)N1CC[C@@H](N[C@H](CCO)C2CC2)C1=O ZINC000763061057 584919693 /nfs/dbraw/zinc/91/96/93/584919693.db2.gz VUWPWFQOSYCZHE-VXGBXAGGSA-N 0 3 240.347 0.746 20 0 BCADHN COC(=O)N1CCC(OCCN(C)C)CC1 ZINC000733155988 584943671 /nfs/dbraw/zinc/94/36/71/584943671.db2.gz 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243.351 0.361 20 0 BCADHN CN1CCC(NC(=O)[C@H]2CSC(=O)N2)CC1 ZINC000740749890 585106385 /nfs/dbraw/zinc/10/63/85/585106385.db2.gz UXUNJLNRLCFRFB-MRVPVSSYSA-N 0 3 243.332 0.022 20 0 BCADHN Cc1n[nH]c(CN[C@H]2C[C@H](C(N)=O)C2)c1C ZINC000886169528 585110751 /nfs/dbraw/zinc/11/07/51/585110751.db2.gz ABFPSBKRJMOTSD-KYZUINATSA-N 0 3 222.292 0.380 20 0 BCADHN Cn1ccnc1C(=O)NCCNc1ccncc1 ZINC000741261207 585112087 /nfs/dbraw/zinc/11/20/87/585112087.db2.gz LYVOJDPNIBFTQK-UHFFFAOYSA-N 0 3 245.286 0.079 20 0 BCADHN Cn1ccnc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000741262578 585112308 /nfs/dbraw/zinc/11/23/08/585112308.db2.gz XQRXUTWKGSQJQJ-NSHDSACASA-N 0 3 248.330 0.634 20 0 BCADHN C[C@@H](CNC(=O)c1nccn1C)N(C)C ZINC000741265062 585112613 /nfs/dbraw/zinc/11/26/13/585112613.db2.gz XDOUTQBOISZCRT-QMMMGPOBSA-N 0 3 210.281 0.100 20 0 BCADHN COCCCN(C)CCNC(=O)OC ZINC000741726626 585117110 /nfs/dbraw/zinc/11/71/10/585117110.db2.gz GOLCPOMGUOQNOE-UHFFFAOYSA-N 0 3 204.270 0.311 20 0 BCADHN S=C(NC1CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000741865775 585120220 /nfs/dbraw/zinc/12/02/20/585120220.db2.gz GVDHCUNJQUAAST-NSHDSACASA-N 0 3 237.372 0.969 20 0 BCADHN CCNC(=S)N1CC[C@@H](N2CC=CC2)C1 ZINC000741865500 585120571 /nfs/dbraw/zinc/12/05/71/585120571.db2.gz QQVYJLYQYBKIDB-SNVBAGLBSA-N 0 3 225.361 0.827 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)[C@@H]1CCCO1 ZINC000742239088 585123833 /nfs/dbraw/zinc/12/38/33/585123833.db2.gz DSUHHVQCWCNNTG-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1C[C@@H]2C[C@@H]2C1 ZINC000886346466 585133715 /nfs/dbraw/zinc/13/37/15/585133715.db2.gz JGGIIQDWNXSFBG-NGZCFLSTSA-N 0 3 213.277 0.252 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1ncccn1 ZINC000743296169 585134826 /nfs/dbraw/zinc/13/48/26/585134826.db2.gz NTIQFKLTJZWTBR-SNVBAGLBSA-N 0 3 234.303 0.691 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1ncccn1 ZINC000743319741 585134966 /nfs/dbraw/zinc/13/49/66/585134966.db2.gz MTFVFOHGXSTJFF-SECBINFHSA-N 0 3 220.276 0.301 20 0 BCADHN O=C(c1ncccn1)N1CC[C@@H](N2CCCC2)C1 ZINC000743332740 585135368 /nfs/dbraw/zinc/13/53/68/585135368.db2.gz WMLJYBGIMSVYBC-LLVKDONJSA-N 0 3 246.314 0.787 20 0 BCADHN CCCCN(C)CCNC(=O)c1ncccn1 ZINC000743399795 585136307 /nfs/dbraw/zinc/13/63/07/585136307.db2.gz YMFNCPSYSSNNOW-UHFFFAOYSA-N 0 3 236.319 0.938 20 0 BCADHN Cc1nonc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000743637074 585138323 /nfs/dbraw/zinc/13/83/23/585138323.db2.gz KZKMPBUBENQDEJ-IONNQARKSA-N 0 3 238.291 0.591 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)NC1CC1 ZINC000743813536 585139730 /nfs/dbraw/zinc/13/97/30/585139730.db2.gz SHDAYWIVTUGIIF-VIFPVBQESA-N 0 3 211.309 0.932 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2nccn2C)CCN1C ZINC000743810668 585139866 /nfs/dbraw/zinc/13/98/66/585139866.db2.gz GWBLBPUVYCEETB-UWVGGRQHSA-N 0 3 236.319 0.633 20 0 BCADHN COCCC(=O)NCCN1CCC[C@H]1C ZINC000744346595 585148056 /nfs/dbraw/zinc/14/80/56/585148056.db2.gz ZUTUBXYGZIPXLJ-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN Cc1n[nH]cc1C(=O)NCCN1CCC[C@@H]1C ZINC000744347458 585149240 /nfs/dbraw/zinc/14/92/40/585149240.db2.gz BNLSNJYYNIJRCP-VIFPVBQESA-N 0 3 236.319 0.932 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1cnn(C)c1 ZINC000744349658 585149448 /nfs/dbraw/zinc/14/94/48/585149448.db2.gz MAXMJOCLOTYXIX-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN CCNC(=S)NCCN1CC[C@H](C)C1 ZINC000745180485 585157722 /nfs/dbraw/zinc/15/77/22/585157722.db2.gz DEPKHUZAIOQDMP-VIFPVBQESA-N 0 3 215.366 0.812 20 0 BCADHN C[C@@H](CCO)NC(=O)C1(N(C)C)CCC1 ZINC000746227328 585166168 /nfs/dbraw/zinc/16/61/68/585166168.db2.gz SMMSDXGJPRDBQS-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2ncccn2)C1 ZINC000746334353 585167511 /nfs/dbraw/zinc/16/75/11/585167511.db2.gz WLLQFGYWXLCBNF-SNVBAGLBSA-N 0 3 234.303 0.548 20 0 BCADHN CN1CC[C@@H](NCc2cnc3cnccn23)C1 ZINC000746465861 585168367 /nfs/dbraw/zinc/16/83/67/585168367.db2.gz GYZDJUUHKDGEON-SNVBAGLBSA-N 0 3 231.303 0.523 20 0 BCADHN CCOCCCN1CCN(CCCCO)CC1 ZINC000746488600 585168710 /nfs/dbraw/zinc/16/87/10/585168710.db2.gz MNONLJOWDCRXAT-UHFFFAOYSA-N 0 3 244.379 0.803 20 0 BCADHN Cc1cc(NCC(=O)NC2CCCC2)nc(N)n1 ZINC000746720502 585172328 /nfs/dbraw/zinc/17/23/28/585172328.db2.gz YCJFCOVFBIUWIM-UHFFFAOYSA-N 0 3 249.318 0.838 20 0 BCADHN CCC/C=C\C(=O)NCC1(O)CCN(C)CC1 ZINC000747412876 585178807 /nfs/dbraw/zinc/17/88/07/585178807.db2.gz XCYAVMGHJRZWMR-WAYWQWQTSA-N 0 3 240.347 0.916 20 0 BCADHN CC(C)[C@H](C(=O)NCc1ccon1)N(C)C ZINC000747432342 585178931 /nfs/dbraw/zinc/17/89/31/585178931.db2.gz LVJUJETUOMMHEF-SNVBAGLBSA-N 0 3 225.292 0.877 20 0 BCADHN Cc1nccn1CCCC(=O)NCc1c[nH]nn1 ZINC000748418063 585192683 /nfs/dbraw/zinc/19/26/83/585192683.db2.gz MZRNUUKUJBGEKB-UHFFFAOYSA-N 0 3 248.290 0.406 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)c1ncccn1 ZINC000749018789 585198184 /nfs/dbraw/zinc/19/81/84/585198184.db2.gz HPMJTVMOXUYNCN-UHFFFAOYSA-N 0 3 236.319 0.889 20 0 BCADHN C[C@H]1COCCCN1CCCN1CCOC1=O ZINC000749515646 585203088 /nfs/dbraw/zinc/20/30/88/585203088.db2.gz NOTWCRRWVOLFFJ-NSHDSACASA-N 0 3 242.319 0.940 20 0 BCADHN CO[C@@H](C)CC(=O)NC[C@@H](C)N(C)C ZINC000749571648 585204111 /nfs/dbraw/zinc/20/41/11/585204111.db2.gz ZWJRINJHBIGWMO-BDAKNGLRSA-N 0 3 202.298 0.478 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccnn1C ZINC000749969971 585208998 /nfs/dbraw/zinc/20/89/98/585208998.db2.gz QDCAXWTXPHGZTA-SNVBAGLBSA-N 0 3 238.335 0.736 20 0 BCADHN CC(C)(O)CCN1CCN(CCCCO)CC1 ZINC000750053744 585209916 /nfs/dbraw/zinc/20/99/16/585209916.db2.gz RBDPMHITIYCKTE-UHFFFAOYSA-N 0 3 244.379 0.538 20 0 BCADHN CNC(=O)CN(C)CCCCCCO ZINC000750185121 585211909 /nfs/dbraw/zinc/21/19/09/585211909.db2.gz ZOPDKFZCTKPVJB-UHFFFAOYSA-N 0 3 202.298 0.217 20 0 BCADHN CCN(CCC(N)=O)Cc1c(C)nn(C)c1C ZINC000750532658 585216890 /nfs/dbraw/zinc/21/68/90/585216890.db2.gz KVCKJSCIESIEMG-UHFFFAOYSA-N 0 3 238.335 0.734 20 0 BCADHN CCOCCNC(=S)NC[C@@H](C)N(C)C ZINC000750990659 585222941 /nfs/dbraw/zinc/22/29/41/585222941.db2.gz ZHOADGGFXNJHJJ-SECBINFHSA-N 0 3 233.381 0.437 20 0 BCADHN COCCN(C)CCNC(=O)/C=C\SC ZINC000751463548 585230802 /nfs/dbraw/zinc/23/08/02/585230802.db2.gz KFXYKLARCYBTDM-WTKPLQERSA-N 0 3 232.349 0.558 20 0 BCADHN O=C(CN1CCC(c2nc[nH]n2)CC1)N1CCC1 ZINC000751500131 585231424 /nfs/dbraw/zinc/23/14/24/585231424.db2.gz MYUQHEVVQOYUHA-UHFFFAOYSA-N 0 3 249.318 0.216 20 0 BCADHN CO[C@@H]1CCN(CCCN2CCCC2=O)C1 ZINC000752089214 585242198 /nfs/dbraw/zinc/24/21/98/585242198.db2.gz SVGMWSBNAJIVLX-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN CON(C)C(=O)NCCN(C)C1CC1 ZINC000753516916 585260278 /nfs/dbraw/zinc/26/02/78/585260278.db2.gz JYIMLWFBTMSYLF-UHFFFAOYSA-N 0 3 201.270 0.283 20 0 BCADHN C[C@H](NC[C@H](O)c1cnn(C)c1)[C@H]1CCCO1 ZINC000753664773 585265923 /nfs/dbraw/zinc/26/59/23/585265923.db2.gz QWVCUOAHQKANKJ-ZMLRMANQSA-N 0 3 239.319 0.611 20 0 BCADHN CONC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000753825780 585270550 /nfs/dbraw/zinc/27/05/50/585270550.db2.gz SFGCMZLGDZISNY-SFYZADRCSA-N 0 3 201.270 0.330 20 0 BCADHN COC(=O)[C@@H]1CCN(CC[C@H]2CCOC2=O)C1 ZINC000753843007 585270929 /nfs/dbraw/zinc/27/09/29/585270929.db2.gz AMGLAZQKQLODKW-VHSXEESVSA-N 0 3 241.287 0.435 20 0 BCADHN CCN1CCN(CC[C@H]2CCOC2=O)C[C@H]1C ZINC000754388102 585283704 /nfs/dbraw/zinc/28/37/04/585283704.db2.gz UGOGTQRQGQBGRJ-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCN1CCN(CC[C@H]2CCOC2=O)C[C@@H]1C ZINC000754388106 585283977 /nfs/dbraw/zinc/28/39/77/585283977.db2.gz UGOGTQRQGQBGRJ-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN COC(=O)C[C@H](NCC(=O)N1CCC1)C1CC1 ZINC000754544129 585285754 /nfs/dbraw/zinc/28/57/54/585285754.db2.gz ZMXPFSWJLDHIRL-JTQLQIEISA-N 0 3 240.303 0.150 20 0 BCADHN COC[C@](C)(CCO)NC/C=C(\C)C(=O)OC ZINC000754666952 585288814 /nfs/dbraw/zinc/28/88/14/585288814.db2.gz RGUDSBCEORSVJL-DJTWPOEFSA-N 0 3 245.319 0.483 20 0 BCADHN CCC1(C(=O)NCCN2CCCC2)COC1 ZINC000755069157 585294167 /nfs/dbraw/zinc/29/41/67/585294167.db2.gz PBWWKTZEQGHOSR-UHFFFAOYSA-N 0 3 226.320 0.625 20 0 BCADHN CCN1CCN(CCN2CCCC2)CC1=O ZINC000755289743 585297044 /nfs/dbraw/zinc/29/70/44/585297044.db2.gz JCFSPIKSFQYEPQ-UHFFFAOYSA-N 0 3 225.336 0.246 20 0 BCADHN Cc1ncc(C(=O)NCCN2CCC[C@@H]2C)[nH]1 ZINC000755288964 585297053 /nfs/dbraw/zinc/29/70/53/585297053.db2.gz LCQFBXAKPLCKDA-VIFPVBQESA-N 0 3 236.319 0.932 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2nonc2C)C1 ZINC000755601608 585301583 /nfs/dbraw/zinc/30/15/83/585301583.db2.gz LQAGTRSOLOOMSN-VXNVDRBHSA-N 0 3 238.291 0.448 20 0 BCADHN CN(C)CCNC(=S)NC[C@]1(C)CCCO1 ZINC000755706595 585304446 /nfs/dbraw/zinc/30/44/46/585304446.db2.gz NQFXFQTVPSJRNL-NSHDSACASA-N 0 3 245.392 0.581 20 0 BCADHN CCN(CC(=O)NC)CC(C)(C)COC ZINC000756076498 585314169 /nfs/dbraw/zinc/31/41/69/585314169.db2.gz MSJZXEKEDMLHDF-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN Cc1nc([C@H](C)N2CCN(C)[C@H](C)C2)n[nH]1 ZINC000839533332 585329246 /nfs/dbraw/zinc/32/92/46/585329246.db2.gz HOLLBSOPBPLDMK-BDAKNGLRSA-N 0 3 223.324 0.810 20 0 BCADHN CC[C@@H](NCCS(=O)(=O)CC)[C@@H]1CCCO1 ZINC000839551574 585329441 /nfs/dbraw/zinc/32/94/41/585329441.db2.gz LENUVAJHUXEGGH-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN COC(=O)[C@]1(C)CCCN(CC[S@@](C)=O)C1 ZINC000839665545 585334589 /nfs/dbraw/zinc/33/45/89/585334589.db2.gz IBEZPIGDSNDXOA-BDJLRTHQSA-N 0 3 247.360 0.640 20 0 BCADHN C[C@H](O)[C@@H]1CN(C[Si](C)(C)C)CCO1 ZINC000839671287 585336162 /nfs/dbraw/zinc/33/61/62/585336162.db2.gz LAKQCIRJYCDICP-UWVGGRQHSA-N 0 3 217.385 0.945 20 0 BCADHN C[C@@H]1[C@@H](CO)CCCN1CC1OCCO1 ZINC000839676913 585336854 /nfs/dbraw/zinc/33/68/54/585336854.db2.gz ZEOFGTBPYZVEPM-NXEZZACHSA-N 0 3 215.293 0.452 20 0 BCADHN COC(OC)[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC000839765101 585339017 /nfs/dbraw/zinc/33/90/17/585339017.db2.gz QRUQNLGBUSZBOF-NXEZZACHSA-N 0 3 246.351 0.696 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)C(OC)OC)N(C)C ZINC000839766700 585339320 /nfs/dbraw/zinc/33/93/20/585339320.db2.gz NACOPFNFFDZAHA-BDAKNGLRSA-N 0 3 232.324 0.450 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H](C)OC1=O)N(C)C ZINC000839772172 585340778 /nfs/dbraw/zinc/34/07/78/585340778.db2.gz VLBKTKVPPPWMLT-BBBLOLIVSA-N 0 3 242.319 0.393 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1nccn1C ZINC000757722114 585344760 /nfs/dbraw/zinc/34/47/60/585344760.db2.gz HGWHKTHQXHVLJX-ONGXEEELSA-N 0 3 248.330 0.633 20 0 BCADHN CONC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000757729402 585345137 /nfs/dbraw/zinc/34/51/37/585345137.db2.gz ZHRUZROARCYMEY-VXNVDRBHSA-N 0 3 213.281 0.330 20 0 BCADHN CN(C)C1(C(=O)N2CCCN(C)CC2)CCC1 ZINC000758049259 585348683 /nfs/dbraw/zinc/34/86/83/585348683.db2.gz FBKATKYREKXWSF-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)c1cnco1 ZINC000759113394 585364414 /nfs/dbraw/zinc/36/44/14/585364414.db2.gz CDGXFEDRYSVFQO-SECBINFHSA-N 0 3 225.292 0.991 20 0 BCADHN COCC1(O)CCN(CCC(C)=O)CC1 ZINC000759313697 585366969 /nfs/dbraw/zinc/36/69/69/585366969.db2.gz NRLDKZXKIVVUGB-UHFFFAOYSA-N 0 3 215.293 0.439 20 0 BCADHN OCCCCCCN1CCc2nn[nH]c2C1 ZINC000759517059 585374406 /nfs/dbraw/zinc/37/44/06/585374406.db2.gz JFOKWUVUUXTIGJ-UHFFFAOYSA-N 0 3 224.308 0.716 20 0 BCADHN OCCCCCCN1CCc2n[nH]nc2C1 ZINC000759517059 585374407 /nfs/dbraw/zinc/37/44/07/585374407.db2.gz JFOKWUVUUXTIGJ-UHFFFAOYSA-N 0 3 224.308 0.716 20 0 BCADHN CN1CCC(C(=O)N[C@](C)(CO)C2CC2)CC1 ZINC000759557752 585375831 /nfs/dbraw/zinc/37/58/31/585375831.db2.gz TYNDLHHQKUALNW-CYBMUJFWSA-N 0 3 240.347 0.605 20 0 BCADHN COC(CN(CCCO)C[C@H]1CCOC1)OC ZINC000759871215 585381609 /nfs/dbraw/zinc/38/16/09/585381609.db2.gz XWRHZNYRDZROKR-LLVKDONJSA-N 0 3 247.335 0.326 20 0 BCADHN C[C@]1(CO)CCCN1CC1OCCO1 ZINC000759900360 585382365 /nfs/dbraw/zinc/38/23/65/585382365.db2.gz GZSKMHCHACKYKX-SNVBAGLBSA-N 0 3 201.266 0.206 20 0 BCADHN C[C@@H]1CCN(CCS(N)(=O)=O)CC1(C)C ZINC000759924014 585382952 /nfs/dbraw/zinc/38/29/52/585382952.db2.gz SWFPLQVHPNSDCC-SECBINFHSA-N 0 3 234.365 0.643 20 0 BCADHN CC(C)[C@@H](C(=O)NCc1cnn(C)n1)N(C)C ZINC000805211905 585397331 /nfs/dbraw/zinc/39/73/31/585397331.db2.gz GLAUXJYDJYBLIG-JTQLQIEISA-N 0 3 239.323 0.018 20 0 BCADHN c1[nH]nc2c1CCN(CCN1CCCC1)C2 ZINC000760876420 585400627 /nfs/dbraw/zinc/40/06/27/585400627.db2.gz APJOYEJBLCUZSK-UHFFFAOYSA-N 0 3 220.320 0.864 20 0 BCADHN CCN(C)C(=O)CN[C@@](C)(CC)CC(=O)OC ZINC000760903236 585401777 /nfs/dbraw/zinc/40/17/77/585401777.db2.gz IIZBRGHPCWVBGE-LBPRGKRZSA-N 0 3 244.335 0.786 20 0 BCADHN CC[C@](C)(CC(=O)OC)NCC(=O)N1CCC1 ZINC000760907982 585401812 /nfs/dbraw/zinc/40/18/12/585401812.db2.gz SPXOHLVVOFBDEW-GFCCVEGCSA-N 0 3 242.319 0.540 20 0 BCADHN CC(C)NC(=O)CCN1CCN(C)[C@@H](C)C1 ZINC000761067626 585404782 /nfs/dbraw/zinc/40/47/82/585404782.db2.gz GFRGTAJEGRTPFV-NSHDSACASA-N 0 3 227.352 0.537 20 0 BCADHN CC(C)OC(=O)CCN1CCN(C)[C@H](C)C1 ZINC000761067463 585404848 /nfs/dbraw/zinc/40/48/48/585404848.db2.gz DZSKUCUQVLXXTL-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H](CN1C(=O)CN(C)C1=O)N1CCCCC1 ZINC000761118708 585410468 /nfs/dbraw/zinc/41/04/68/585410468.db2.gz JDGPTGKWOKUZKH-JTQLQIEISA-N 0 3 239.319 0.755 20 0 BCADHN C[C@H](CN1C(=O)N[C@@H](C)C1=O)N1CCCCC1 ZINC000761122538 585410613 /nfs/dbraw/zinc/41/06/13/585410613.db2.gz NVRSFLFAKYQKDD-ZJUUUORDSA-N 0 3 239.319 0.801 20 0 BCADHN CNC(=S)NCCCN1CCCO[C@@H](C)C1 ZINC000761555131 585417081 /nfs/dbraw/zinc/41/70/81/585417081.db2.gz ZAGRAVKATPISAY-JTQLQIEISA-N 0 3 245.392 0.581 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1ccnnc1 ZINC000762208689 585429053 /nfs/dbraw/zinc/42/90/53/585429053.db2.gz RCWBRXVCBHBHHB-SNVBAGLBSA-N 0 3 234.303 0.691 20 0 BCADHN CN(C)CCNC(=O)NC1CCC(C)(O)CC1 ZINC000762423545 585431964 /nfs/dbraw/zinc/43/19/64/585431964.db2.gz IICLPZPOPXWXOR-UHFFFAOYSA-N 0 3 243.351 0.541 20 0 BCADHN CCC(=CC(=O)NC[C@@]1(O)CCN(C)C1)CC ZINC000762716212 585435934 /nfs/dbraw/zinc/43/59/34/585435934.db2.gz JAPSVFNQTOPQFP-ZDUSSCGKSA-N 0 3 240.347 0.916 20 0 BCADHN CCC/C=C/C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000762715174 585436010 /nfs/dbraw/zinc/43/60/10/585436010.db2.gz ALCQRWGQIFRNKK-FYJFLYSWSA-N 0 3 226.320 0.526 20 0 BCADHN CN(C)C1(C(=O)N2CCN(C)CC2)CCC1 ZINC000763003041 585441243 /nfs/dbraw/zinc/44/12/43/585441243.db2.gz VVYHUHCHRMIIMI-UHFFFAOYSA-N 0 3 225.336 0.245 20 0 BCADHN CN(C)C1(C(=O)N2CCCOCC2)CCC1 ZINC000763028560 585441673 /nfs/dbraw/zinc/44/16/73/585441673.db2.gz HHWNBEHVPSCDAF-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN CN(C)C1(C(=O)NCc2ncc[nH]2)CCC1 ZINC000763045054 585442152 /nfs/dbraw/zinc/44/21/52/585442152.db2.gz RIGOCUKHDQIATF-UHFFFAOYSA-N 0 3 222.292 0.510 20 0 BCADHN COC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000763053691 585442590 /nfs/dbraw/zinc/44/25/90/585442590.db2.gz MMTQMYWKVGKAFS-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC000763072476 585442739 /nfs/dbraw/zinc/44/27/39/585442739.db2.gz MUDIPYDINKZHGB-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H]1CCCN(C(=O)CN[C@@H](CO)C2CC2)C1 ZINC000763071360 585442767 /nfs/dbraw/zinc/44/27/67/585442767.db2.gz RQUVKPGUKYHLAA-JQWIXIFHSA-N 0 3 240.347 0.605 20 0 BCADHN O=C(CN[C@@H](CO)C1CC1)NCc1cccnc1 ZINC000763065830 585442839 /nfs/dbraw/zinc/44/28/39/585442839.db2.gz HAYQAHFXEVHJNV-LBPRGKRZSA-N 0 3 249.314 0.058 20 0 BCADHN O=C(CN[C@@H](CO)C1CC1)NCc1ccco1 ZINC000763068855 585442857 /nfs/dbraw/zinc/44/28/57/585442857.db2.gz NNBVDXCZXWEHMW-NSHDSACASA-N 0 3 238.287 0.256 20 0 BCADHN CN(C)C1(C(=O)N(C)C[C@H](O)C2CC2)CCC1 ZINC000763068243 585442859 /nfs/dbraw/zinc/44/28/59/585442859.db2.gz JENZATYTYZMWFR-NSHDSACASA-N 0 3 240.347 0.700 20 0 BCADHN Cc1cc(NC(=O)CN[C@@H](CO)C2CC2)no1 ZINC000763068273 585442884 /nfs/dbraw/zinc/44/28/84/585442884.db2.gz NAAKJCWBZYCWCR-VIFPVBQESA-N 0 3 239.275 0.282 20 0 BCADHN Cc1nsc(C(=O)NC2CCN(C)CC2)n1 ZINC000763258442 585444795 /nfs/dbraw/zinc/44/47/95/585444795.db2.gz UCRWPFVEHQXKIM-UHFFFAOYSA-N 0 3 240.332 0.671 20 0 BCADHN O=C1O[C@@H](CN2CCC[C@@H](CO)C2)CC12CC2 ZINC000763659570 585451503 /nfs/dbraw/zinc/45/15/03/585451503.db2.gz IJZXPCNNTOVQJL-GHMZBOCLSA-N 0 3 239.315 0.786 20 0 BCADHN O=C1O[C@H](CN2CCC[C@@H](CO)C2)CC12CC2 ZINC000763659571 585451777 /nfs/dbraw/zinc/45/17/77/585451777.db2.gz IJZXPCNNTOVQJL-MNOVXSKESA-N 0 3 239.315 0.786 20 0 BCADHN CN(C[C@@H]1CC2(CC2)C(=O)O1)CC(C)(C)O ZINC000763689104 585452301 /nfs/dbraw/zinc/45/23/01/585452301.db2.gz UQUAWBXDCHRKEK-VIFPVBQESA-N 0 3 227.304 0.785 20 0 BCADHN C[C@@]1(O)CCN(C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000763698644 585452614 /nfs/dbraw/zinc/45/26/14/585452614.db2.gz QWTAMBGFQHCKIM-MWLCHTKSSA-N 0 3 225.288 0.539 20 0 BCADHN C[C@H](CO)N(C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763733522 585453092 /nfs/dbraw/zinc/45/30/92/585453092.db2.gz LIYCILBKKMWLDR-RKDXNWHRSA-N 0 3 213.277 0.395 20 0 BCADHN O=C1O[C@H](CN2C[C@@H]3C[C@]3(CO)C2)CC12CC2 ZINC000763783816 585454384 /nfs/dbraw/zinc/45/43/84/585454384.db2.gz XERCNJRSKNAKAR-OUJBWJOFSA-N 0 3 237.299 0.396 20 0 BCADHN CC[C@H](O)CCNC(=O)C1(N(C)C)CCC1 ZINC000763837427 585455072 /nfs/dbraw/zinc/45/50/72/585455072.db2.gz XNIUNUIJSCJUCI-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CN(CC[C@@H]1CCOC1=O)[C@]1(CO)CCOC1 ZINC000763882569 585455660 /nfs/dbraw/zinc/45/56/60/585455660.db2.gz VGYLTGFAMOHPCT-PWSUYJOCSA-N 0 3 243.303 0.023 20 0 BCADHN CC(=O)NCCCN(C)[C@@H](CO)COC(C)C ZINC000763877802 585455753 /nfs/dbraw/zinc/45/57/53/585455753.db2.gz GWDOHNJNHUFDAA-LBPRGKRZSA-N 0 3 246.351 0.230 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)[C@@H]1CCCO1 ZINC000763996351 585458575 /nfs/dbraw/zinc/45/85/75/585458575.db2.gz PSJCFJWRIRVCRS-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@@H](O)C(C)(C)C ZINC000764636165 585469774 /nfs/dbraw/zinc/46/97/74/585469774.db2.gz MIKWEPLCBYTBHL-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN CONC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000764842515 585475688 /nfs/dbraw/zinc/47/56/88/585475688.db2.gz XFNUILOFIPYBSX-JTQLQIEISA-N 0 3 227.308 0.864 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1C[C@H]1CC1(Cl)Cl ZINC000764982278 585478244 /nfs/dbraw/zinc/47/82/44/585478244.db2.gz UWFSCUMBBQVJGZ-GJMOJQLCSA-N 0 3 240.130 0.608 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1C[C@@H]1CC1(Cl)Cl ZINC000764982277 585478368 /nfs/dbraw/zinc/47/83/68/585478368.db2.gz UWFSCUMBBQVJGZ-FXQIFTODSA-N 0 3 240.130 0.608 20 0 BCADHN CCN1CCCN(C(=O)[C@H](O)C(C)(C)C)CC1 ZINC000765016846 585479593 /nfs/dbraw/zinc/47/95/93/585479593.db2.gz YSXBNYKVLKLFRP-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H](O)C(C)(C)C)CCN1C ZINC000765104036 585481276 /nfs/dbraw/zinc/48/12/76/585481276.db2.gz YKBRBOJTGFQBSW-MXWKQRLJSA-N 0 3 242.363 0.992 20 0 BCADHN CCc1cc(CNC(=O)[C@H](CC)N(C)C)[nH]n1 ZINC000765517134 585488927 /nfs/dbraw/zinc/48/89/27/585488927.db2.gz WHFZFXCTSOPMGO-NSHDSACASA-N 0 3 238.335 0.929 20 0 BCADHN CCc1cc(CNC(=O)[C@H](CC)N(C)C)n[nH]1 ZINC000765517134 585488928 /nfs/dbraw/zinc/48/89/28/585488928.db2.gz WHFZFXCTSOPMGO-NSHDSACASA-N 0 3 238.335 0.929 20 0 BCADHN CC[C@H](C(=O)N1CC(O)(C(C)C)C1)N(C)C ZINC000765565769 585489989 /nfs/dbraw/zinc/48/99/89/585489989.db2.gz MKFQXZQHRGZYQR-SNVBAGLBSA-N 0 3 228.336 0.556 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(C)nc(N)n1 ZINC000765638472 585491709 /nfs/dbraw/zinc/49/17/09/585491709.db2.gz ZCCFUCFWVYVQNN-RKDXNWHRSA-N 0 3 249.318 0.694 20 0 BCADHN CC(C)[C@@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC000805311557 585492399 /nfs/dbraw/zinc/49/23/99/585492399.db2.gz XOTDMRDBNZTSEN-LLVKDONJSA-N 0 3 242.363 0.851 20 0 BCADHN O=C(Cn1cccn1)OCCN1CCCCC1 ZINC000766001140 585495496 /nfs/dbraw/zinc/49/54/96/585495496.db2.gz PNNHQKXQFRNEID-UHFFFAOYSA-N 0 3 237.303 0.912 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CCN(CCF)CC1 ZINC000767036955 585512768 /nfs/dbraw/zinc/51/27/68/585512768.db2.gz BPIGCXYMESXNLV-NSHDSACASA-N 0 3 243.326 0.194 20 0 BCADHN C[C@@H](O)C[C@H]1COCCN1CCN1CCCC1 ZINC000767029636 585512891 /nfs/dbraw/zinc/51/28/91/585512891.db2.gz KHBMPFSLYJGJCJ-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN O=C(CCN1[C@@H]2CC[C@H]1CNC(=O)C2)C1CC1 ZINC000767414985 585519461 /nfs/dbraw/zinc/51/94/61/585519461.db2.gz MVXLQGOEEJQNMB-MNOVXSKESA-N 0 3 236.315 0.709 20 0 BCADHN COCC1(O)CCN(CCC(=O)C2CC2)CC1 ZINC000767537043 585522290 /nfs/dbraw/zinc/52/22/90/585522290.db2.gz JZJWAGXDAVEPCC-UHFFFAOYSA-N 0 3 241.331 0.829 20 0 BCADHN C[C@H]1[C@H](C)N(CCC2OCCO2)CCN1C ZINC000767823644 585526777 /nfs/dbraw/zinc/52/67/77/585526777.db2.gz UJJNGFKQXLJKSA-QWRGUYRKSA-N 0 3 228.336 0.774 20 0 BCADHN CN1CCN(CCC2OCCO2)C(C)(C)C1 ZINC000767820265 585526785 /nfs/dbraw/zinc/52/67/85/585526785.db2.gz CHEMYRYSFSPDBS-UHFFFAOYSA-N 0 3 228.336 0.775 20 0 BCADHN CCC[C@](C)(CO)NC(=O)C1CCN(C)CC1 ZINC000768393705 585537835 /nfs/dbraw/zinc/53/78/35/585537835.db2.gz TYFDCXZFXVKUAC-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN COCCN(CCN(C)C)C(=O)C(C)(C)F ZINC000769098577 585549156 /nfs/dbraw/zinc/54/91/56/585549156.db2.gz QRQJJJQMHGJONG-UHFFFAOYSA-N 0 3 234.315 0.771 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1COC(C)(C)O1)N(C)C ZINC000769277971 585552435 /nfs/dbraw/zinc/55/24/35/585552435.db2.gz WZAHTBSFJOYGKT-UWVGGRQHSA-N 0 3 244.335 0.594 20 0 BCADHN CCN(CCO)CCNC(=O)C=C(C)C ZINC000769636137 585561022 /nfs/dbraw/zinc/56/10/22/585561022.db2.gz WWTMNOKRHCCEBK-UHFFFAOYSA-N 0 3 214.309 0.383 20 0 BCADHN CC(C)(C(N)=O)C(=O)OCCN1CCCCC1 ZINC000769668980 585561454 /nfs/dbraw/zinc/56/14/54/585561454.db2.gz NIFBZSOUCHEAEN-UHFFFAOYSA-N 0 3 242.319 0.527 20 0 BCADHN CCOCC[C@H](O)CN1C[C@H]2C[C@@]2(CO)C1 ZINC000769802146 585563971 /nfs/dbraw/zinc/56/39/71/585563971.db2.gz RSJUFABATRUYHX-WOPDTQHZSA-N 0 3 229.320 0.088 20 0 BCADHN NS(=O)(=O)CCN1CCCC12CCC2 ZINC000769983994 585568605 /nfs/dbraw/zinc/56/86/05/585568605.db2.gz JOMBAWRUNSCFLO-UHFFFAOYSA-N 0 3 218.322 0.293 20 0 BCADHN CC[C@H](C(=O)NCc1ncccn1)N(C)C ZINC000770046715 585570125 /nfs/dbraw/zinc/57/01/25/585570125.db2.gz JEHFENWMHHCWLK-SECBINFHSA-N 0 3 222.292 0.433 20 0 BCADHN CN1CCC(C(=O)N[C@H](CO)C2CC2)CC1 ZINC000771001985 585586779 /nfs/dbraw/zinc/58/67/79/585586779.db2.gz IFUOYURCWNATGE-LLVKDONJSA-N 0 3 226.320 0.215 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@@H](CO)C1CC1 ZINC000771017109 585587322 /nfs/dbraw/zinc/58/73/22/585587322.db2.gz DAFKVQMZBULDHF-NWDGAFQWSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](CO)C1CC1 ZINC000771023689 585587526 /nfs/dbraw/zinc/58/75/26/585587526.db2.gz BREQEUGWCNSXCA-CKYFFXLPSA-N 0 3 240.347 0.746 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H](CO)C1CC1)N(C)C ZINC000771026025 585587539 /nfs/dbraw/zinc/58/75/39/585587539.db2.gz PEBQOHYAHSDGMD-WDEREUQCSA-N 0 3 228.336 0.460 20 0 BCADHN CC[C@@H](C(=O)N[C@H](CO)C1CC1)N(C)C ZINC000771043151 585588485 /nfs/dbraw/zinc/58/84/85/585588485.db2.gz GSADKPXBMUDKOA-ZJUUUORDSA-N 0 3 214.309 0.214 20 0 BCADHN COc1ncc(C(=O)N[C@@H](C)CN(C)C)cn1 ZINC000805423145 585591871 /nfs/dbraw/zinc/59/18/71/585591871.db2.gz BTHPKPZAFSNCQD-QMMMGPOBSA-N 0 3 238.291 0.165 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)/C=C/c1cnn(C)c1 ZINC000805426321 585591992 /nfs/dbraw/zinc/59/19/92/585591992.db2.gz MRNFGJNVNIBGSC-PORFMDCZSA-N 0 3 236.319 0.500 20 0 BCADHN C/C=C/C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000771583897 585597470 /nfs/dbraw/zinc/59/74/70/585597470.db2.gz WHNSDUGKXRYITF-JDGPPOGSSA-N 0 3 238.331 0.932 20 0 BCADHN C/C=C(\C)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000771661561 585598704 /nfs/dbraw/zinc/59/87/04/585598704.db2.gz SFAJEYCTDMITBW-NDZKXSSTSA-N 0 3 240.347 0.916 20 0 BCADHN CC(C)[C@@H](C)NC(=O)CN[C@H](CCO)C1CC1 ZINC000771793315 585600087 /nfs/dbraw/zinc/60/00/87/585600087.db2.gz AGNFDMCEQHSJLU-ZYHUDNBSSA-N 0 3 242.363 0.898 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N[C@H](CCO)C1CC1 ZINC000771794647 585600268 /nfs/dbraw/zinc/60/02/68/585600268.db2.gz GUWBQGACGPGUJF-CMPLNLGQSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)N1CCC[C@@H](N[C@H](CO)C2CC2)C1=O ZINC000771803036 585600470 /nfs/dbraw/zinc/60/04/70/585600470.db2.gz NFFYMXYDFFDSDR-VXGBXAGGSA-N 0 3 240.347 0.746 20 0 BCADHN CCN(CC)CC(=O)N[C@](C)(CO)C1CC1 ZINC000771815563 585601084 /nfs/dbraw/zinc/60/10/84/585601084.db2.gz PGHHOVMRVAPYTO-GFCCVEGCSA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)N(C)CC(=O)NCc1ncccn1 ZINC000771825274 585601212 /nfs/dbraw/zinc/60/12/12/585601212.db2.gz CJQJKGSJVJTUBP-UHFFFAOYSA-N 0 3 222.292 0.433 20 0 BCADHN CCC(=O)N[C@@H](C)C(=O)OCCN(CC)CC ZINC000771995561 585606274 /nfs/dbraw/zinc/60/62/74/585606274.db2.gz SQIWZMYXAOEIMS-JTQLQIEISA-N 0 3 244.335 0.786 20 0 BCADHN CN(CCN1CCCC1)C1(C(N)=O)CCCC1 ZINC000772234695 585610503 /nfs/dbraw/zinc/61/05/03/585610503.db2.gz IJCSTOJAAPCIQB-UHFFFAOYSA-N 0 3 239.363 0.812 20 0 BCADHN CCN(CC)CCOC(=O)C1(C(=O)OC)CC1 ZINC000772350309 585613061 /nfs/dbraw/zinc/61/30/61/585613061.db2.gz KFVGVWKCDLHYEA-UHFFFAOYSA-N 0 3 243.303 0.825 20 0 BCADHN Cc1cccc(COC(=O)C2CCN(C)C2=O)n1 ZINC000772510206 585617152 /nfs/dbraw/zinc/61/71/52/585617152.db2.gz KTLNDXRPDWUFNG-LLVKDONJSA-N 0 3 248.282 0.912 20 0 BCADHN CCC(=O)CCCOC(=O)C1CCN(C)C1=O ZINC000772519591 585617531 /nfs/dbraw/zinc/61/75/31/585617531.db2.gz LFHQDYWZMRMHFB-SNVBAGLBSA-N 0 3 241.287 0.767 20 0 BCADHN CC(C)OCCCOC(=O)C1CCN(C)C1=O ZINC000772529325 585617818 /nfs/dbraw/zinc/61/78/18/585617818.db2.gz VBNQJZWPPUZKEQ-SNVBAGLBSA-N 0 3 243.303 0.823 20 0 BCADHN CO[C@@H](C)COC(=O)C1CCN(C)C1=O ZINC000772528652 585617872 /nfs/dbraw/zinc/61/78/72/585617872.db2.gz FCUPTEBOUZMOFD-YUMQZZPRSA-N 0 3 215.249 0.043 20 0 BCADHN OCC[C@@H](NCc1cnns1)C1CC1 ZINC000859250448 589023875 /nfs/dbraw/zinc/02/38/75/589023875.db2.gz KGFXXUIXPSOREB-SECBINFHSA-N 0 3 213.306 0.789 20 0 BCADHN CC(C)N(C)CC(=O)NCCOC(=O)C1CC1 ZINC000773449237 585637095 /nfs/dbraw/zinc/63/70/95/585637095.db2.gz IOWYFOOHYRTLAX-UHFFFAOYSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)NOC1CCN(C)CC1 ZINC000773552490 585640347 /nfs/dbraw/zinc/64/03/47/585640347.db2.gz QFHONRZYROOMEL-SCZZXKLOSA-N 0 3 212.293 0.784 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCCC12OCCO2 ZINC000773690379 585642304 /nfs/dbraw/zinc/64/23/04/585642304.db2.gz LVSJHMLVALRNJY-JTQLQIEISA-N 0 3 242.319 0.207 20 0 BCADHN CCCCOCCOC(=O)C1CCN(C)C1=O ZINC000774000369 585648185 /nfs/dbraw/zinc/64/81/85/585648185.db2.gz MWJIWNWHXINHFV-SNVBAGLBSA-N 0 3 243.303 0.825 20 0 BCADHN C[C@H](OC(=O)C1CCN(C)C1=O)c1cnccn1 ZINC000774038426 585648714 /nfs/dbraw/zinc/64/87/14/585648714.db2.gz QOAFRIWRBXNIGL-IUCAKERBSA-N 0 3 249.270 0.559 20 0 BCADHN C[C@@H]1C[C@H]1COC(=O)C1CCN(C)C1=O ZINC000774027921 585648755 /nfs/dbraw/zinc/64/87/55/585648755.db2.gz QOUBWROUHZDTSB-HRDYMLBCSA-N 0 3 211.261 0.664 20 0 BCADHN C[C@@H](OC(=O)C1CCN(C)C1=O)C(F)(F)F ZINC000774126700 585651032 /nfs/dbraw/zinc/65/10/32/585651032.db2.gz MPHZXRASYUDWMV-RITPCOANSA-N 0 3 239.193 0.959 20 0 BCADHN Cc1ccc(COC(=O)C2CCN(C)C2=O)cn1 ZINC000774213258 585654094 /nfs/dbraw/zinc/65/40/94/585654094.db2.gz WMGDCDGQQCWSFT-NSHDSACASA-N 0 3 248.282 0.912 20 0 BCADHN COC[C@H](OC(=O)C1CCN(C)C1=O)C1CC1 ZINC000774223681 585654456 /nfs/dbraw/zinc/65/44/56/585654456.db2.gz ASWFPLYHFVNIQD-UWVGGRQHSA-N 0 3 241.287 0.433 20 0 BCADHN COCC[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000774235938 585654759 /nfs/dbraw/zinc/65/47/59/585654759.db2.gz GAITWTMZWNCOKM-RKDXNWHRSA-N 0 3 229.276 0.433 20 0 BCADHN CON(C)C(=O)CN1CCC[C@@H]2COCC[C@H]21 ZINC000774659208 585662905 /nfs/dbraw/zinc/66/29/05/585662905.db2.gz HFUMSFUYQJXHGK-GHMZBOCLSA-N 0 3 242.319 0.507 20 0 BCADHN CON(C)C(=O)CN1CCC2(CC2)CC1 ZINC000774737552 585664726 /nfs/dbraw/zinc/66/47/26/585664726.db2.gz KVVCAEZSBFUIPT-UHFFFAOYSA-N 0 3 212.293 0.882 20 0 BCADHN C[C@@H]1CCOCCN1CCN1CCOCC1 ZINC000775567405 585680022 /nfs/dbraw/zinc/68/00/22/585680022.db2.gz XIGPKAPMNDYALJ-GFCCVEGCSA-N 0 3 228.336 0.429 20 0 BCADHN C[C@H]1CCOCCN1CCCN1CCOCC1 ZINC000775570820 585680190 /nfs/dbraw/zinc/68/01/90/585680190.db2.gz WBRODITUHWXYIP-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN C[C@@H]1CCOCCN1Cc1ccn(C)c(=O)c1 ZINC000775571794 585680320 /nfs/dbraw/zinc/68/03/20/585680320.db2.gz ISJDWBAWRDOBFM-LLVKDONJSA-N 0 3 236.315 0.996 20 0 BCADHN CO[C@@H](C)CC(=O)NCC1=CCN(C)CC1 ZINC000775884810 585687122 /nfs/dbraw/zinc/68/71/22/585687122.db2.gz WBSJHTUSKAQWNB-JTQLQIEISA-N 0 3 226.320 0.790 20 0 BCADHN CN(C)C1(C(=O)NCCC(C)(C)O)CCC1 ZINC000775969507 585688611 /nfs/dbraw/zinc/68/86/11/585688611.db2.gz XBQJVHWXUZRPTJ-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN CN(C[C@@H]1CCCOC1)Cn1cnnc1 ZINC000776758889 585704187 /nfs/dbraw/zinc/70/41/87/585704187.db2.gz SJQYWFVQFRNCFK-JTQLQIEISA-N 0 3 210.281 0.594 20 0 BCADHN c1nncn1CN1CC[C@@H](C2CCOCC2)C1 ZINC000776762458 585704535 /nfs/dbraw/zinc/70/45/35/585704535.db2.gz LSQRHAQUWGSGDQ-GFCCVEGCSA-N 0 3 236.319 0.984 20 0 BCADHN c1nncn1CN1CCC[C@@H]2COCC[C@@H]21 ZINC000776764890 585705284 /nfs/dbraw/zinc/70/52/84/585705284.db2.gz SEVQMTGGIRLCHN-MNOVXSKESA-N 0 3 222.292 0.737 20 0 BCADHN Cc1cc(N2CC[C@@H](n3cncn3)C2)nc(N)n1 ZINC000776838530 585705999 /nfs/dbraw/zinc/70/59/99/585705999.db2.gz CQBSDPFUSIJEPE-SECBINFHSA-N 0 3 245.290 0.410 20 0 BCADHN CN(C)C1(C(=O)NCc2cccc(=O)[nH]2)CCC1 ZINC000777458323 585712859 /nfs/dbraw/zinc/71/28/59/585712859.db2.gz LDCZCTKVDIYTKZ-UHFFFAOYSA-N 0 3 249.314 0.888 20 0 BCADHN CN(C)CCNC(=S)N[C@@H]1C[C@H](O)C1(C)C ZINC000777479514 585713467 /nfs/dbraw/zinc/71/34/67/585713467.db2.gz FWWIFQZZXNTMPU-BDAKNGLRSA-N 0 3 245.392 0.172 20 0 BCADHN OCC[C@H]1CCCN(CC2OCCO2)C1 ZINC000777575729 585715731 /nfs/dbraw/zinc/71/57/31/585715731.db2.gz IIGDSQCEAMFOPV-SNVBAGLBSA-N 0 3 215.293 0.454 20 0 BCADHN NC(=O)C[C@H]1CCCCN1CC1OCCO1 ZINC000777578469 585715745 /nfs/dbraw/zinc/71/57/45/585715745.db2.gz JHZOGYYAOFTNQT-SECBINFHSA-N 0 3 228.292 0.089 20 0 BCADHN CC[C@](C)(CO)N[C@@H]1CCCS(=O)(=O)C1 ZINC000777569315 585715802 /nfs/dbraw/zinc/71/58/02/585715802.db2.gz HTMRJVDFOQGCDS-NXEZZACHSA-N 0 3 235.349 0.314 20 0 BCADHN CN(CC1OCCO1)C[C@@H]1CCCOC1 ZINC000777582430 585715834 /nfs/dbraw/zinc/71/58/34/585715834.db2.gz GUSVMFNARVRKDK-JTQLQIEISA-N 0 3 215.293 0.718 20 0 BCADHN COC[C@@H]1CCN(CC2OCCO2)C1 ZINC000777589027 585716239 /nfs/dbraw/zinc/71/62/39/585716239.db2.gz PSBVHRSSIXIRTR-SECBINFHSA-N 0 3 201.266 0.328 20 0 BCADHN O[C@@H]1CN(Cc2ccc(CF)cc2)C[C@@H]1O ZINC000777593893 585716302 /nfs/dbraw/zinc/71/63/02/585716302.db2.gz AQKDQAUKTFWHHW-TXEJJXNPSA-N 0 3 225.263 0.694 20 0 BCADHN C(C1OCCO1)N1CCC[C@@H]2COCC[C@H]21 ZINC000777599288 585716943 /nfs/dbraw/zinc/71/69/43/585716943.db2.gz HJSKKGAHANHOOL-GHMZBOCLSA-N 0 3 227.304 0.860 20 0 BCADHN CCC[C@@H]1NC(=O)N([C@@H]2CCCN(C)C2)C1=O ZINC000777621137 585717055 /nfs/dbraw/zinc/71/70/55/585717055.db2.gz VTQSSJLAOGDOBY-ZJUUUORDSA-N 0 3 239.319 0.801 20 0 BCADHN CN1CCC[C@@H](N2C(=O)[C@@H]3CCCN3C2=O)C1 ZINC000777621392 585717063 /nfs/dbraw/zinc/71/70/63/585717063.db2.gz XMODSOMADJSNAM-ZJUUUORDSA-N 0 3 237.303 0.507 20 0 BCADHN C[C@H]1NC(=O)N([C@@H]2CCN(C3CC3)C2)C1=O ZINC000777626111 585717407 /nfs/dbraw/zinc/71/74/07/585717407.db2.gz ODQJNRIGCZKYCI-VXNVDRBHSA-N 0 3 223.276 0.163 20 0 BCADHN O=C1CN(C2CC2)C(=O)N1[C@H]1CCN(C2CC2)C1 ZINC000777626402 585717434 /nfs/dbraw/zinc/71/74/34/585717434.db2.gz RTFNTEUQBRCEGE-NSHDSACASA-N 0 3 249.314 0.650 20 0 BCADHN CN(CC1OCCO1)[C@H](CO)C(C)(C)C ZINC000777710037 585718445 /nfs/dbraw/zinc/71/84/45/585718445.db2.gz VKYRSKGZBVZJCO-SECBINFHSA-N 0 3 217.309 0.698 20 0 BCADHN CO[C@H](C)CC(=O)NCCOCCN(C)C ZINC000777838550 585720973 /nfs/dbraw/zinc/72/09/73/585720973.db2.gz RGMKXDDOEROMSP-SNVBAGLBSA-N 0 3 232.324 0.106 20 0 BCADHN CC[C@@H](CO)NC(=O)C1(N(C)C)CCC1 ZINC000778232332 585728458 /nfs/dbraw/zinc/72/84/58/585728458.db2.gz PWYPPOLBQQBJPZ-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN CN1CCC[C@H](NC(=O)N[C@H](CO)C2CC2)C1 ZINC000778695475 585739434 /nfs/dbraw/zinc/73/94/34/585739434.db2.gz NNGRWKQEYXDCRW-WDEREUQCSA-N 0 3 241.335 0.151 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccncn1 ZINC000778823962 585741063 /nfs/dbraw/zinc/74/10/63/585741063.db2.gz AYZHZIWFAZWDEK-LLVKDONJSA-N 0 3 236.319 0.793 20 0 BCADHN CO[C@@H]1CCN([C@@H]2CCCN(C)C2=O)C1 ZINC000778949161 585742504 /nfs/dbraw/zinc/74/25/04/585742504.db2.gz YCGSIDOHNKPNJV-NXEZZACHSA-N 0 3 212.293 0.328 20 0 BCADHN CON(C)C(=O)CCN(C)c1ccncc1 ZINC000779474567 585755747 /nfs/dbraw/zinc/75/57/47/585755747.db2.gz BGWDDXXXZOFNRM-UHFFFAOYSA-N 0 3 223.276 0.928 20 0 BCADHN CC[C@@H](CO)C(=O)N1CCCC[C@H]1CN(C)C ZINC000779622808 585757378 /nfs/dbraw/zinc/75/73/78/585757378.db2.gz GXHMHIUJHNVTCX-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H](CO)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000779622015 585757473 /nfs/dbraw/zinc/75/74/73/585757473.db2.gz UBLLSKFXAQQIHN-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H](CNC(=O)/C=C/c1cncc([O-])c1)[NH+](C)C ZINC000779656574 585758287 /nfs/dbraw/zinc/75/82/87/585758287.db2.gz VPEIUAZIKAZPLW-ORAHPGNNSA-N 0 3 249.314 0.867 20 0 BCADHN CC[C@H](CO)C(=O)NC[C@H]1CCCN1CC ZINC000779730324 585760079 /nfs/dbraw/zinc/76/00/79/585760079.db2.gz GFSWZIOHTNMOMZ-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](CO)C(=O)NCCN1CCC[C@H](C)C1 ZINC000779736145 585760437 /nfs/dbraw/zinc/76/04/37/585760437.db2.gz GBAAXTYFGSUXKT-NWDGAFQWSA-N 0 3 242.363 0.853 20 0 BCADHN CC[C@@H](CO)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000779769351 585761836 /nfs/dbraw/zinc/76/18/36/585761836.db2.gz QSPUMIGREBLHRJ-NWDGAFQWSA-N 0 3 240.347 0.605 20 0 BCADHN CC[C@H](CO)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000779769350 585762009 /nfs/dbraw/zinc/76/20/09/585762009.db2.gz QSPUMIGREBLHRJ-NEPJUHHUSA-N 0 3 240.347 0.605 20 0 BCADHN CC[C@H](CO)C(=O)NC[C@@H]1CCCN1C ZINC000779780960 585762634 /nfs/dbraw/zinc/76/26/34/585762634.db2.gz ZMIDBPIYOPBDOD-ZJUUUORDSA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)NS(=O)(=O)NCCN1CCC[C@H]1C ZINC000780866592 585785649 /nfs/dbraw/zinc/78/56/49/585785649.db2.gz SBJUCQFWXJATNP-SNVBAGLBSA-N 0 3 249.380 0.303 20 0 BCADHN COC(=O)CC1CCN(CC(OC)OC)CC1 ZINC000781885330 585804801 /nfs/dbraw/zinc/80/48/01/585804801.db2.gz QRTSTURVOOIWID-UHFFFAOYSA-N 0 3 245.319 0.880 20 0 BCADHN COC(CN1C[C@H](C)N(C)C[C@H]1C)OC ZINC000781903794 585805104 /nfs/dbraw/zinc/80/51/04/585805104.db2.gz XPUGHVYCSHVFJM-VHSXEESVSA-N 0 3 216.325 0.630 20 0 BCADHN COC(CN1C[C@@H](SC)[C@H](N(C)C)C1)OC ZINC000781905248 585805200 /nfs/dbraw/zinc/80/52/00/585805200.db2.gz XUJDRAIOGHXQSY-NXEZZACHSA-N 0 3 248.392 0.583 20 0 BCADHN C[C@@H]1CN(CC(C)(C)O)CCN1CCF ZINC000781943481 585805757 /nfs/dbraw/zinc/80/57/57/585805757.db2.gz NRSUAGKBFSIXCK-SNVBAGLBSA-N 0 3 218.316 0.733 20 0 BCADHN CC[C@@H](O)CN1CCC2(CNC(=O)O2)CC1 ZINC000781997922 585806319 /nfs/dbraw/zinc/80/63/19/585806319.db2.gz DHQLLGXNIVKOAU-SECBINFHSA-N 0 3 228.292 0.332 20 0 BCADHN CC[C@H](O)CN1CCC2(CNC(=O)O2)CC1 ZINC000782003107 585806441 /nfs/dbraw/zinc/80/64/41/585806441.db2.gz DHQLLGXNIVKOAU-VIFPVBQESA-N 0 3 228.292 0.332 20 0 BCADHN C[C@H](C1CC1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000782182098 585810059 /nfs/dbraw/zinc/81/00/59/585810059.db2.gz RZABYACHVPVBNF-SCZZXKLOSA-N 0 3 232.349 0.408 20 0 BCADHN CNC(=O)N1CCN([C@@H](C)C2CC2)CC1 ZINC000782190004 585810981 /nfs/dbraw/zinc/81/09/81/585810981.db2.gz SSWZJLLCESMZCB-VIFPVBQESA-N 0 3 211.309 0.742 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN([C@@H](C)C2CC2)C1 ZINC000782189053 585811352 /nfs/dbraw/zinc/81/13/52/585811352.db2.gz FGAIADUZRVRHAN-WCBMZHEXSA-N 0 3 232.349 0.408 20 0 BCADHN COCCCN(C/C=C(\C)C(=O)OC)CCO ZINC000782578566 585820262 /nfs/dbraw/zinc/82/02/62/585820262.db2.gz JLZOUGONUTXSIX-VZUCSPMQSA-N 0 3 245.319 0.437 20 0 BCADHN C[C@@H]1CN(C)C(=O)CN1CCN1CCCC1 ZINC000782595595 585821457 /nfs/dbraw/zinc/82/14/57/585821457.db2.gz LGDNQFBFBKXUQY-LLVKDONJSA-N 0 3 225.336 0.245 20 0 BCADHN OC[C@]12C[C@H]1CN(C[C@H](O)Cc1ccccc1)C2 ZINC000782609809 585821940 /nfs/dbraw/zinc/82/19/40/585821940.db2.gz RFUYMWKWNGJROJ-RRFJBIMHSA-N 0 3 247.338 0.904 20 0 BCADHN OCc1ccc(CN2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782613986 585822354 /nfs/dbraw/zinc/82/23/54/585822354.db2.gz IJVXZQAFEIVULG-KGLIPLIRSA-N 0 3 233.311 0.993 20 0 BCADHN C[C@@H]1CC[C@H]1N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000783252802 585832482 /nfs/dbraw/zinc/83/24/82/585832482.db2.gz VQNUNRRSCLFCNG-YUSALJHKSA-N 0 3 248.330 0.914 20 0 BCADHN Cc1nc(C(=O)N2C[C@H]3CN(C)C[C@H]3C2)no1 ZINC000783642072 585839224 /nfs/dbraw/zinc/83/92/24/585839224.db2.gz NASHWQQFZJRRRM-DTORHVGOSA-N 0 3 236.275 0.012 20 0 BCADHN Cn1ccc(CN2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783739527 585841599 /nfs/dbraw/zinc/84/15/99/585841599.db2.gz FTJUDFOJVLRPKY-NEPJUHHUSA-N 0 3 206.289 0.839 20 0 BCADHN CCN1CCC[C@H]1CNC(=S)N1CC(F)C1 ZINC000783761496 585842442 /nfs/dbraw/zinc/84/24/42/585842442.db2.gz CSHYRVSFWUABSN-JTQLQIEISA-N 0 3 245.367 0.999 20 0 BCADHN CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@]2(CO)C1)N(C)C ZINC000783787250 585843252 /nfs/dbraw/zinc/84/32/52/585843252.db2.gz RIJNRPJGADXLTK-GMXVVIOVSA-N 0 3 240.347 0.413 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1cnco1 ZINC000783920347 585845879 /nfs/dbraw/zinc/84/58/79/585845879.db2.gz KCZACZXLWNFGLA-VIFPVBQESA-N 0 3 223.276 0.889 20 0 BCADHN C[C@@H]1C[C@H](CN2CCOC[C@H]2CCO)CCO1 ZINC000785766755 585880206 /nfs/dbraw/zinc/88/02/06/585880206.db2.gz LMQYIVPZWKMYQY-JHJVBQTASA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)[C@@H](C)O ZINC000786978142 585899536 /nfs/dbraw/zinc/89/95/36/585899536.db2.gz WCMWSBLQDHOWNU-RKDXNWHRSA-N 0 3 202.298 0.070 20 0 BCADHN C[C@H]1CN(CCOCC(F)F)CCN1C ZINC000787272572 585904110 /nfs/dbraw/zinc/90/41/10/585904110.db2.gz UEHUKZNSWXSBLW-VIFPVBQESA-N 0 3 222.279 0.904 20 0 BCADHN CO[C@H]1CC(=O)N(CN2C[C@H](C)[C@H](C)C2)C1 ZINC000787225573 585903768 /nfs/dbraw/zinc/90/37/68/585903768.db2.gz BOMYDTCWYPUSMS-AXFHLTTASA-N 0 3 226.320 0.779 20 0 BCADHN CCOCCOCCN(C)CCNC(C)=O ZINC000787334185 585906610 /nfs/dbraw/zinc/90/66/10/585906610.db2.gz HMYLJQSZUCSKSQ-UHFFFAOYSA-N 0 3 232.324 0.107 20 0 BCADHN CN(C)[C@]1(CNC(=O)C(F)F)CCSC1 ZINC000787413538 585908914 /nfs/dbraw/zinc/90/89/14/585908914.db2.gz KJTFTKJFQLYHOL-VIFPVBQESA-N 0 3 238.303 0.805 20 0 BCADHN COCCO[N-]C(=O)C1CC[NH+](C2CC2)CC1 ZINC000787410354 585909079 /nfs/dbraw/zinc/90/90/79/585909079.db2.gz WEULJKKADUCQPL-UHFFFAOYSA-N 0 3 242.319 0.555 20 0 BCADHN COC(=O)[C@@H]1CCN(Cc2cn[nH]c2)[C@@H]1C ZINC000787421141 585909191 /nfs/dbraw/zinc/90/91/91/585909191.db2.gz NUQKENZQLXYDRA-PSASIEDQSA-N 0 3 223.276 0.793 20 0 BCADHN CS[C@@H]1CN(C(=O)C(F)F)C[C@H]1N(C)C ZINC000787475714 585909836 /nfs/dbraw/zinc/90/98/36/585909836.db2.gz VNEQSUIFCBCYKY-RNFRBKRXSA-N 0 3 238.303 0.756 20 0 BCADHN COC(=O)[C@H]1[C@H](CN2CCC[C@H]2CO)C1(F)F ZINC000787772898 585915728 /nfs/dbraw/zinc/91/57/28/585915728.db2.gz KGZVYZGWVSZAJC-XHNCKOQMSA-N 0 3 249.257 0.497 20 0 BCADHN O=C(Cc1cc[nH]n1)OCCN1CCCCC1 ZINC000787783644 585916064 /nfs/dbraw/zinc/91/60/64/585916064.db2.gz OLVIJYBQXHFLGK-UHFFFAOYSA-N 0 3 237.303 0.981 20 0 BCADHN CCOC(CN1CC[C@H](CO)[C@H](O)C1)OCC ZINC000787996741 585918834 /nfs/dbraw/zinc/91/88/34/585918834.db2.gz OGZDBSGWQBQMMX-GHMZBOCLSA-N 0 3 247.335 0.061 20 0 BCADHN C[C@H](O)CN1CCN(c2ccncc2)C[C@H]1C ZINC000788327754 585922058 /nfs/dbraw/zinc/92/20/58/585922058.db2.gz RNQPHYPHRGVPAM-NEPJUHHUSA-N 0 3 235.331 0.973 20 0 BCADHN CN(C)CCN(C)C(=O)NOC[C@H]1CCOC1 ZINC000788325784 585922132 /nfs/dbraw/zinc/92/21/32/585922132.db2.gz MTSACIUSHCALAW-JTQLQIEISA-N 0 3 245.323 0.158 20 0 BCADHN C[NH+](C)CCCCC(=O)[N-]OC[C@H]1CCOC1 ZINC000788568922 585927019 /nfs/dbraw/zinc/92/70/19/585927019.db2.gz DXSGFJMZGOJADP-NSHDSACASA-N 0 3 244.335 0.803 20 0 BCADHN C[N@@H+]1CC[C@@H](C(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC000788572653 585927214 /nfs/dbraw/zinc/92/72/14/585927214.db2.gz WKWVUCSJQKTAJE-NXEZZACHSA-N 0 3 228.292 0.022 20 0 BCADHN C[N@H+]1CC[C@@H](C(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC000788572653 585927215 /nfs/dbraw/zinc/92/72/15/585927215.db2.gz WKWVUCSJQKTAJE-NXEZZACHSA-N 0 3 228.292 0.022 20 0 BCADHN Cc1cc(N2CC[C@@]3(CNC(=O)C3)C2)nc(N)n1 ZINC000788571476 585927283 /nfs/dbraw/zinc/92/72/83/585927283.db2.gz YXZBJPFSQDZPAT-GFCCVEGCSA-N 0 3 247.302 0.084 20 0 BCADHN Cc1cccc([C@H](O)CN[C@H]2CCN(C)C2=O)c1 ZINC000788670634 585928761 /nfs/dbraw/zinc/92/87/61/585928761.db2.gz VEQJYKMBZWEPET-QWHCGFSZSA-N 0 3 248.326 0.849 20 0 BCADHN COCCONC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000789043254 585934183 /nfs/dbraw/zinc/93/41/83/585934183.db2.gz ZNKBRPVKKFVZKP-NXEZZACHSA-N 0 3 245.323 0.346 20 0 BCADHN C[C@H](O)CCCN(C)[C@@H]1CCCCNC1=O ZINC000789319684 585939651 /nfs/dbraw/zinc/93/96/51/585939651.db2.gz VLICTCSWBNLBED-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN CC(=O)CCN(C)[C@@H](C)CN1CCOCC1 ZINC000789335095 585940094 /nfs/dbraw/zinc/94/00/94/585940094.db2.gz PKCHDXPVYGFGCB-NSHDSACASA-N 0 3 228.336 0.618 20 0 BCADHN CC(=O)CCN1CC[C@]2(CNC(=O)C2)C1 ZINC000789356027 585941151 /nfs/dbraw/zinc/94/11/51/585941151.db2.gz XTLZSENWCQUDMM-NSHDSACASA-N 0 3 210.277 0.178 20 0 BCADHN C[C@H](O)CCCN1CCC2(CNC(=O)O2)CC1 ZINC000789417693 585942502 /nfs/dbraw/zinc/94/25/02/585942502.db2.gz BROFYIIXHGRUHZ-JTQLQIEISA-N 0 3 242.319 0.722 20 0 BCADHN C/C=C(\CC)C(=O)NCC1(O)CCN(C)CC1 ZINC000789804507 585950783 /nfs/dbraw/zinc/95/07/83/585950783.db2.gz RSDCRTQULXLVLW-NYYWCZLTSA-N 0 3 240.347 0.916 20 0 BCADHN Cc1n[nH]nc1C(=O)N1CCC[C@H]1CN(C)C ZINC000789927452 585952741 /nfs/dbraw/zinc/95/27/41/585952741.db2.gz YXLGLERHQDLXJH-VIFPVBQESA-N 0 3 237.307 0.279 20 0 BCADHN CC[C@@H](C(=O)Nc1cn[nH]n1)N(CC)CC ZINC000789927658 585953778 /nfs/dbraw/zinc/95/37/78/585953778.db2.gz FCEAXOXATZRCIT-QMMMGPOBSA-N 0 3 225.296 0.864 20 0 BCADHN CC[C@@H](C(=O)Nc1c[nH]nn1)N(CC)CC ZINC000789927658 585953779 /nfs/dbraw/zinc/95/37/79/585953779.db2.gz FCEAXOXATZRCIT-QMMMGPOBSA-N 0 3 225.296 0.864 20 0 BCADHN Cc1nn[nH]c1C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000789943215 585954504 /nfs/dbraw/zinc/95/45/04/585954504.db2.gz VBAXSXMKKVOEDP-JTQLQIEISA-N 0 3 249.318 0.279 20 0 BCADHN C[C@@H](CNC(=O)CC1OCCO1)N(C)C1CC1 ZINC000789971613 585954614 /nfs/dbraw/zinc/95/46/14/585954614.db2.gz RWLOOGFBCJCJIW-VIFPVBQESA-N 0 3 242.319 0.348 20 0 BCADHN Cc1n[nH]nc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000789974966 585955217 /nfs/dbraw/zinc/95/52/17/585955217.db2.gz ZAQLXLNQXWGTJR-JTQLQIEISA-N 0 3 249.318 0.423 20 0 BCADHN C[C@H](O)CCCNC(=O)C1(N(C)C)CCC1 ZINC000790083748 585957934 /nfs/dbraw/zinc/95/79/34/585957934.db2.gz MCJMTBAVSYAOQW-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN Cc1ccc([C@H](O)CN[C@H]2CCN(C)C2=O)cc1 ZINC000791136822 585974632 /nfs/dbraw/zinc/97/46/32/585974632.db2.gz PHLNTWCGRQNPDO-QWHCGFSZSA-N 0 3 248.326 0.849 20 0 BCADHN COC/C=C\C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000791372203 585979323 /nfs/dbraw/zinc/97/93/23/585979323.db2.gz LELPBVDUPXDJPE-XOIDGJRKSA-N 0 3 226.320 0.742 20 0 BCADHN CO[C@]1(C)CCCN(CC2OCCO2)C1 ZINC000791563028 585984177 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JIECTFSYJXRAGX-IONNQARKSA-N 0 3 239.271 0.376 20 0 BCADHN C[C@@H](OC(=O)C1CCN(C)C1=O)C(=O)C1CC1 ZINC000798653479 586147700 /nfs/dbraw/zinc/14/77/00/586147700.db2.gz JIECTFSYJXRAGX-VXNVDRBHSA-N 0 3 239.271 0.376 20 0 BCADHN CCN(C[C@@H]1CCOC1)[C@@H]1CCC(=O)NC1=O ZINC000799113748 586157309 /nfs/dbraw/zinc/15/73/09/586157309.db2.gz KVVUAMGEJMIALQ-VHSXEESVSA-N 0 3 240.303 0.150 20 0 BCADHN CN(C[C@H]1CCCOC1)[C@H]1CCC(=O)NC1=O ZINC000799122534 586160335 /nfs/dbraw/zinc/16/03/35/586160335.db2.gz RHXFZVFDXVGNCE-ZJUUUORDSA-N 0 3 240.303 0.150 20 0 BCADHN CON(C)C(=O)CCN1CCCOC[C@@H]1C ZINC000799142756 586162166 /nfs/dbraw/zinc/16/21/66/586162166.db2.gz CJLZGKXPECCDNQ-JTQLQIEISA-N 0 3 230.308 0.507 20 0 BCADHN CCCCN(CCCO)[C@@H]1CCC(=O)NC1=O ZINC000799158827 586163288 /nfs/dbraw/zinc/16/32/88/586163288.db2.gz UELWRELWVHFGRE-SNVBAGLBSA-N 0 3 242.319 0.276 20 0 BCADHN CCN(CCC1CC1)[C@@H]1CCC(=O)NC1=O ZINC000799165320 586164117 /nfs/dbraw/zinc/16/41/17/586164117.db2.gz UMONMXINCWGHLG-SNVBAGLBSA-N 0 3 224.304 0.914 20 0 BCADHN C[C@H](O)CCN(C)C[C@H](O)c1ccc(F)cn1 ZINC000799303003 586170129 /nfs/dbraw/zinc/17/01/29/586170129.db2.gz FKNIIGLOCYZKIZ-CABZTGNLSA-N 0 3 242.294 0.957 20 0 BCADHN CCN(CC[C@H]1CCOC1=O)[C@@H]1CCNC1=O ZINC000799353029 586173662 /nfs/dbraw/zinc/17/36/62/586173662.db2.gz XVFQGUYCDTXLNI-VHSXEESVSA-N 0 3 240.303 0.150 20 0 BCADHN CC(C)OC[C@H](C)NC[C@H](O)c1cnn(C)c1 ZINC000800242380 586205935 /nfs/dbraw/zinc/20/59/35/586205935.db2.gz BZKWVQXHYYXEJO-JQWIXIFHSA-N 0 3 241.335 0.857 20 0 BCADHN CC(C)OC[C@H](C)NC[C@@H](O)c1cnn(C)c1 ZINC000800242379 586206000 /nfs/dbraw/zinc/20/60/00/586206000.db2.gz BZKWVQXHYYXEJO-CMPLNLGQSA-N 0 3 241.335 0.857 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2cccc(OC)n2)C1 ZINC000839900435 586213923 /nfs/dbraw/zinc/21/39/23/586213923.db2.gz RJKKMUOSNTZZLA-SNVBAGLBSA-N 0 3 249.314 0.914 20 0 BCADHN COC[C@@H](CO)NC[C@H](O)c1ccccc1C ZINC000843079673 586214462 /nfs/dbraw/zinc/21/44/62/586214462.db2.gz ACPKEZKPASBHAY-YPMHNXCESA-N 0 3 239.315 0.625 20 0 BCADHN C[Si](C)(C)CN1CC[C@@H](S(C)(=O)=O)C1 ZINC000800468406 586219365 /nfs/dbraw/zinc/21/93/65/586219365.db2.gz ATLABPLIVPOMNG-SECBINFHSA-N 0 3 235.425 0.983 20 0 BCADHN CO[C@@H]1CC[C@H](OC(=O)C2CCN(C)C2=O)C1 ZINC000800462993 586220857 /nfs/dbraw/zinc/22/08/57/586220857.db2.gz KBZSQYYGIISNQT-UTLUCORTSA-N 0 3 241.287 0.575 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)N(C)OC ZINC000801540550 586260811 /nfs/dbraw/zinc/26/08/11/586260811.db2.gz BODJRWKFJZXFCE-DTWKUNHWSA-N 0 3 246.307 0.184 20 0 BCADHN CCCCCC[C@H](O)CN1C[C@H](O)[C@@H](O)C1 ZINC000859455415 589038944 /nfs/dbraw/zinc/03/89/44/589038944.db2.gz HNFAVMBAQAFFSC-SRVKXCTJSA-N 0 3 231.336 0.355 20 0 BCADHN CSC[C@@H](O)CNC[C@@H](O)c1ccc(C)o1 ZINC000843084416 586269378 /nfs/dbraw/zinc/26/93/78/586269378.db2.gz AAIFXBPBSXZGSR-VHSXEESVSA-N 0 3 245.344 0.935 20 0 BCADHN CN(C)CCNC(=S)N[C@@H]1CSC1(C)C ZINC000802718728 586310560 /nfs/dbraw/zinc/31/05/60/586310560.db2.gz GWOFECMHBUZQCK-MRVPVSSYSA-N 0 3 247.433 0.906 20 0 BCADHN COC(=O)[C@]1(OC)CCN(C[C@@H](O)C2CC2)C1 ZINC000859558008 589045004 /nfs/dbraw/zinc/04/50/04/589045004.db2.gz XSOKKADDNCNAEX-PWSUYJOCSA-N 0 3 243.303 0.021 20 0 BCADHN CCN(CC)CCOC(=O)C[S@@](=O)CC ZINC000803476078 586358654 /nfs/dbraw/zinc/35/86/54/586358654.db2.gz ZXTVQHKTLRINBE-HNNXBMFYSA-N 0 3 235.349 0.640 20 0 BCADHN COc1cccc(-c2nc(CC[NH3+])no2)c1[O-] ZINC000843129262 586417254 /nfs/dbraw/zinc/41/72/54/586417254.db2.gz NCUFAXKIPCMCQC-UHFFFAOYSA-N 0 3 235.243 0.952 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NOC[C@@H]1CCOC1 ZINC000807168299 586424525 /nfs/dbraw/zinc/42/45/25/586424525.db2.gz UQEUTXNTQAOYQX-VHSXEESVSA-N 0 3 245.323 0.204 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1C[C@@H](C)OC1=O ZINC000808207057 586467629 /nfs/dbraw/zinc/46/76/29/586467629.db2.gz MOWZWORITXWAFR-RKDXNWHRSA-N 0 3 228.292 0.148 20 0 BCADHN COCCN(CCO)CCC(=O)C(C)C ZINC000808719089 586484615 /nfs/dbraw/zinc/48/46/15/586484615.db2.gz SPCLNSBMSPBYHA-UHFFFAOYSA-N 0 3 217.309 0.542 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)CCC(=O)C(C)C ZINC000808732140 586484903 /nfs/dbraw/zinc/48/49/03/586484903.db2.gz CYEDVKLWJVDDNQ-JTQLQIEISA-N 0 3 228.336 0.916 20 0 BCADHN CON(C)C(=O)CCN1CC[C@H](C(F)F)C1 ZINC000808741333 586486617 /nfs/dbraw/zinc/48/66/17/586486617.db2.gz DPHMVWKKALRSPG-QMMMGPOBSA-N 0 3 236.262 0.983 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCOCC[C@H]1C ZINC000808744265 586486725 /nfs/dbraw/zinc/48/67/25/586486725.db2.gz JRWBPRQHBIIDCV-MWLCHTKSSA-N 0 3 231.292 0.021 20 0 BCADHN O=C1CC[C@H](N2CCC[C@H](C3CC3)C2)C(=O)N1 ZINC000808776691 586489799 /nfs/dbraw/zinc/48/97/99/586489799.db2.gz MDJMELZDHSYRIL-QWRGUYRKSA-N 0 3 236.315 0.914 20 0 BCADHN CCO[C@H]1C[C@@H](OC(=O)C2CCN(C)C2=O)C1 ZINC000809118863 586498172 /nfs/dbraw/zinc/49/81/72/586498172.db2.gz OCCMLYNMRXUMON-AEJSXWLSSA-N 0 3 241.287 0.575 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1cn(C)nn1 ZINC000809169375 586500391 /nfs/dbraw/zinc/50/03/91/586500391.db2.gz VHCKWLYZKOLEPX-SECBINFHSA-N 0 3 237.307 0.029 20 0 BCADHN CC(C)CN1CCN(Cc2cnn(C)n2)CC1 ZINC000809932246 586523763 /nfs/dbraw/zinc/52/37/63/586523763.db2.gz RLPRZDRZIHNEIJ-UHFFFAOYSA-N 0 3 237.351 0.589 20 0 BCADHN CN1CCC2(CCN2C(=O)C(F)F)CC1 ZINC000810436552 586539189 /nfs/dbraw/zinc/53/91/89/586539189.db2.gz PIZCBHQJVFUYQP-UHFFFAOYSA-N 0 3 218.247 0.948 20 0 BCADHN CC(C)CCCN1C(C)C(=O)N(C)S1(=O)=O ZINC000840207067 586545555 /nfs/dbraw/zinc/54/55/55/586545555.db2.gz KPMNXWHVVLNJGT-VIFPVBQESA-N 0 3 248.348 0.830 20 0 BCADHN CC(C)CCCN1C(C)C(=O)N(C)S1(=O)=O ZINC000840207066 586545584 /nfs/dbraw/zinc/54/55/84/586545584.db2.gz KPMNXWHVVLNJGT-SECBINFHSA-N 0 3 248.348 0.830 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)C(F)F ZINC000811170650 586556349 /nfs/dbraw/zinc/55/63/49/586556349.db2.gz LMZJGCIZKVZOLC-SSDOTTSWSA-N 0 3 206.236 0.852 20 0 BCADHN CCN(CC)CCOC(=O)c1ncn(C)n1 ZINC000811355060 586558815 /nfs/dbraw/zinc/55/88/15/586558815.db2.gz HBIXAQNSKGTSMZ-UHFFFAOYSA-N 0 3 226.280 0.314 20 0 BCADHN Cc1c[nH]nc1CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000811490658 586560053 /nfs/dbraw/zinc/56/00/53/586560053.db2.gz VWLFOSMEMHNFBA-NXEZZACHSA-N 0 3 236.319 0.852 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]2C1 ZINC000812326062 586573668 /nfs/dbraw/zinc/57/36/68/586573668.db2.gz ULZHQUQXGCPBFX-MNOVXSKESA-N 0 3 246.314 0.500 20 0 BCADHN C[N@@H+]1CC[C@@H](C(=O)[N-]OC/C=C\Cl)C1 ZINC000812403256 586575860 /nfs/dbraw/zinc/57/58/60/586575860.db2.gz PRNPKMYXVOHUIQ-DLRBJTRDSA-N 0 3 218.684 0.738 20 0 BCADHN C[N@H+]1CC[C@@H](C(=O)[N-]OC/C=C\Cl)C1 ZINC000812403256 586575861 /nfs/dbraw/zinc/57/58/61/586575861.db2.gz PRNPKMYXVOHUIQ-DLRBJTRDSA-N 0 3 218.684 0.738 20 0 BCADHN C[C@H]1CN(C(=S)NCCN(C)C)CCO1 ZINC000812481128 586578059 /nfs/dbraw/zinc/57/80/59/586578059.db2.gz JYIWRGXZXGIPJO-VIFPVBQESA-N 0 3 231.365 0.143 20 0 BCADHN Cc1nnc2cc(N(C)CCN(C)C)ncn12 ZINC000840269528 586587379 /nfs/dbraw/zinc/58/73/79/586587379.db2.gz NAWLLKIZTDLOQL-UHFFFAOYSA-N 0 3 234.307 0.431 20 0 BCADHN COC[C@H](C)N1CCC(C(=O)N(C)OC)CC1 ZINC000812868000 586588253 /nfs/dbraw/zinc/58/82/53/586588253.db2.gz IWEXBJFWGFCKDA-JTQLQIEISA-N 0 3 244.335 0.753 20 0 BCADHN Cc1c[nH]nc1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000813538240 586603156 /nfs/dbraw/zinc/60/31/56/586603156.db2.gz XJBHXKNSYDWVDU-JTQLQIEISA-N 0 3 249.318 0.047 20 0 BCADHN COC(=O)c1ccc(N(C)CCN(C)C)nc1 ZINC000813591998 586603973 /nfs/dbraw/zinc/60/39/73/586603973.db2.gz BXPQCHFCUVHYBW-UHFFFAOYSA-N 0 3 237.303 0.866 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3cnsn3)[C@@H]2C1 ZINC000814143714 586614667 /nfs/dbraw/zinc/61/46/67/586614667.db2.gz BEKZTFYTVAATEE-IONNQARKSA-N 0 3 238.316 0.314 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)C3=COCC3)[C@@H]2C1 ZINC000814145214 586615009 /nfs/dbraw/zinc/61/50/09/586615009.db2.gz LYXCZNXNCBTZEV-GXSJLCMTSA-N 0 3 222.288 0.453 20 0 BCADHN O=C1CN(CCC2CCOCC2)CCCN1 ZINC000814621848 586626766 /nfs/dbraw/zinc/62/67/66/586626766.db2.gz PEZWTZBNSARMPW-UHFFFAOYSA-N 0 3 226.320 0.625 20 0 BCADHN Cc1cc(NCCCc2cnn(C)n2)nc(N)n1 ZINC000814898128 586645579 /nfs/dbraw/zinc/64/55/79/586645579.db2.gz PZRYYMMPKRHQFA-UHFFFAOYSA-N 0 3 247.306 0.540 20 0 BCADHN Cn1ncc(CCCNCc2ccccn2)n1 ZINC000815144781 586669691 /nfs/dbraw/zinc/66/96/91/586669691.db2.gz PBRGZRVNVQWJMF-UHFFFAOYSA-N 0 3 231.303 0.933 20 0 BCADHN Cc1nn(C)cc1CNCCCc1cnn(C)n1 ZINC000815145296 586669839 /nfs/dbraw/zinc/66/98/39/586669839.db2.gz RNDQBEMWUNOPIB-UHFFFAOYSA-N 0 3 248.334 0.579 20 0 BCADHN OCCCN1CCC2(CC1)OCCCO2 ZINC000815154122 586670164 /nfs/dbraw/zinc/67/01/64/586670164.db2.gz BUNNCHUNNFDBGD-UHFFFAOYSA-N 0 3 215.293 0.598 20 0 BCADHN OCCCCN1CCC2(CC1)OCCCO2 ZINC000815153739 586670579 /nfs/dbraw/zinc/67/05/79/586670579.db2.gz HRQHVFCTGOPUQP-UHFFFAOYSA-N 0 3 229.320 0.988 20 0 BCADHN C[C@@H](O)CN1CCC2(CC1)OCCCO2 ZINC000815155371 586670913 /nfs/dbraw/zinc/67/09/13/586670913.db2.gz OBAHGLLKMMVUPI-SNVBAGLBSA-N 0 3 215.293 0.596 20 0 BCADHN CON(C)C(=O)CCN1C[C@H](C)[C@@H]1C ZINC000815164582 586672483 /nfs/dbraw/zinc/67/24/83/586672483.db2.gz YCKHXWLFSQGQLT-IUCAKERBSA-N 0 3 200.282 0.737 20 0 BCADHN C[C@H](CO)CN1CCC(OC(=O)N(C)C)CC1 ZINC000815191177 586673520 /nfs/dbraw/zinc/67/35/20/586673520.db2.gz PLDFBWKCZLSNCU-JTQLQIEISA-N 0 3 244.335 0.777 20 0 BCADHN C[C@@H](CO)CN1CCC(OC(=O)N(C)C)CC1 ZINC000815191178 586673580 /nfs/dbraw/zinc/67/35/80/586673580.db2.gz PLDFBWKCZLSNCU-SNVBAGLBSA-N 0 3 244.335 0.777 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2cc(C=O)c[nH]2)C1 ZINC000815306384 586677890 /nfs/dbraw/zinc/67/78/90/586677890.db2.gz VTSUMHDGVADVIN-NSHDSACASA-N 0 3 249.314 0.993 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2cc(C=O)c[nH]2)C1 ZINC000815527677 586686848 /nfs/dbraw/zinc/68/68/48/586686848.db2.gz LZNZYXUUMXMZRW-SNVBAGLBSA-N 0 3 249.314 0.899 20 0 BCADHN C[C@H](NCCCc1cnn(C)n1)c1nccn1C ZINC000815641241 586689775 /nfs/dbraw/zinc/68/97/75/586689775.db2.gz TYVONJPBYFLLMI-JTQLQIEISA-N 0 3 248.334 0.832 20 0 BCADHN C[C@@H](NCCCc1cnn(C)n1)c1nccn1C ZINC000815641242 586689847 /nfs/dbraw/zinc/68/98/47/586689847.db2.gz TYVONJPBYFLLMI-SNVBAGLBSA-N 0 3 248.334 0.832 20 0 BCADHN CO[C@H](COC(=O)C1CCN(C)C1=O)C(C)C ZINC000816349752 586718849 /nfs/dbraw/zinc/71/88/49/586718849.db2.gz YYEMPZBQYKDQKY-VHSXEESVSA-N 0 3 243.303 0.679 20 0 BCADHN C[C@H]1C[C@@H](C(=O)O[C@H]2CNOC2)CCN1C ZINC000816573468 586741661 /nfs/dbraw/zinc/74/16/61/586741661.db2.gz ZITBEAUMNCZSSC-GUBZILKMSA-N 0 3 228.292 0.163 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)/C=C\c1ccc[nH]1 ZINC000816618782 586745274 /nfs/dbraw/zinc/74/52/74/586745274.db2.gz INBWATMJJMMNTL-ISALQUGTSA-N 0 3 237.303 0.067 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC=CO2)C1 ZINC000816951791 586773228 /nfs/dbraw/zinc/77/32/28/586773228.db2.gz WKAWLUYZMRWVPB-SRVKXCTJSA-N 0 3 236.315 0.842 20 0 BCADHN Cc1n[nH]nc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000817043795 586779753 /nfs/dbraw/zinc/77/97/53/586779753.db2.gz QOOBOEDWJNNZTH-GFCCVEGCSA-N 0 3 249.318 0.281 20 0 BCADHN CO[C@H](C)CC(=O)N(C)C[C@H]1CCCN1C ZINC000817492242 586808552 /nfs/dbraw/zinc/80/85/52/586808552.db2.gz WKZDDBQXPVVGSK-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@H](N)C1CCC1 ZINC000817934565 586843513 /nfs/dbraw/zinc/84/35/13/586843513.db2.gz IESJKLJVOYLJMQ-LLVKDONJSA-N 0 3 242.319 0.573 20 0 BCADHN CCOCCN(C)C(COC)COC ZINC000818028768 586866118 /nfs/dbraw/zinc/86/61/18/586866118.db2.gz ZOFALFBDTCMKQV-UHFFFAOYSA-N 0 3 205.298 0.616 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000818048573 586867189 /nfs/dbraw/zinc/86/71/89/586867189.db2.gz WCKAUTWYNZWTOG-JGVFFNPUSA-N 0 3 247.254 0.303 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nn1cnc2ccccc21 ZINC000818050727 586867224 /nfs/dbraw/zinc/86/72/24/586867224.db2.gz ZVDSWWKHAREFJE-JGVFFNPUSA-N 0 3 216.244 0.454 20 0 BCADHN CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1N ZINC000818058795 586868040 /nfs/dbraw/zinc/86/80/40/586868040.db2.gz OMZPCCFNYYFMQX-ZJUUUORDSA-N 0 3 247.298 0.722 20 0 BCADHN C[C@H](O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000818081401 586871021 /nfs/dbraw/zinc/87/10/21/586871021.db2.gz SHUDSHMUNGQYGN-AXTRIDKLSA-N 0 3 234.299 0.703 20 0 BCADHN CN(C/C=C/Cl)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859959286 589073534 /nfs/dbraw/zinc/07/35/34/589073534.db2.gz GCJZFEMEBQKVON-VIYBMPCISA-N 0 3 202.685 0.935 20 0 BCADHN C[C@@H](C[C@@H]1CCOC1)NC(=O)[C@@H]1C[C@@H]1N ZINC000818138863 586876743 /nfs/dbraw/zinc/87/67/43/586876743.db2.gz OQKYMMNRMDFYPD-QEYWKRMJSA-N 0 3 212.293 0.265 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@H](O)c1ccsc1 ZINC000818133450 586876785 /nfs/dbraw/zinc/87/67/85/586876785.db2.gz KTHZYBGMLWGIJB-YIZRAAEISA-N 0 3 226.301 0.245 20 0 BCADHN COC(=O)C1(C)CN(C[C@H](O)C2CC2)C1 ZINC000818174525 586879140 /nfs/dbraw/zinc/87/91/40/586879140.db2.gz FRQOQTUUGKWPGD-VIFPVBQESA-N 0 3 213.277 0.252 20 0 BCADHN CCNCC(=O)N[C@H](C(=O)OC)C(C)(C)C ZINC000818462181 586891600 /nfs/dbraw/zinc/89/16/00/586891600.db2.gz WLNFJGBPKXDGCP-SECBINFHSA-N 0 3 230.308 0.300 20 0 BCADHN CCNCC(=O)N[C@H](CC)C1CCOCC1 ZINC000818469261 586892594 /nfs/dbraw/zinc/89/25/94/586892594.db2.gz HQLLIJVUCMJDIO-LLVKDONJSA-N 0 3 228.336 0.917 20 0 BCADHN CCNCC(=O)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000818515202 586895632 /nfs/dbraw/zinc/89/56/32/586895632.db2.gz LIYGAMAAAXJXKJ-JOYOIKCWSA-N 0 3 228.336 0.916 20 0 BCADHN CCNCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000818501659 586895639 /nfs/dbraw/zinc/89/56/39/586895639.db2.gz GGRSZRFHOXDVRD-GDPRMGEGSA-N 0 3 226.320 0.526 20 0 BCADHN Cc1noc(CNC(=O)c2cccc(CN)c2)n1 ZINC000818513286 586895863 /nfs/dbraw/zinc/89/58/63/586895863.db2.gz MRCKGDLTGCDKDL-UHFFFAOYSA-N 0 3 246.270 0.767 20 0 BCADHN CCNCC(=O)Nc1cc2c(cc1N)OCO2 ZINC000818524055 586897058 /nfs/dbraw/zinc/89/70/58/586897058.db2.gz YQFAZKKSFQIUGP-UHFFFAOYSA-N 0 3 237.259 0.546 20 0 BCADHN COc1cc(NC(=O)C2(N)CC2)ccc1N ZINC000818558973 586900903 /nfs/dbraw/zinc/90/09/03/586900903.db2.gz IZSRNOZKNZEGLA-UHFFFAOYSA-N 0 3 221.260 0.707 20 0 BCADHN CCNCC(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000818562267 586901383 /nfs/dbraw/zinc/90/13/83/586901383.db2.gz ZRFMEGQDNDZGSY-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CCNCC(=O)N1CCC[C@@]1(C)C(=O)OC ZINC000818604520 586902865 /nfs/dbraw/zinc/90/28/65/586902865.db2.gz GVVBOFYXUQDAFK-NSHDSACASA-N 0 3 228.292 0.150 20 0 BCADHN CCNCC(=O)N[C@H](C)CCC(=O)OCC ZINC000818604714 586905496 /nfs/dbraw/zinc/90/54/96/586905496.db2.gz KKBOIEBINSVXNT-SECBINFHSA-N 0 3 230.308 0.444 20 0 BCADHN CCNCC(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000818608901 586905951 /nfs/dbraw/zinc/90/59/51/586905951.db2.gz FVBHVPXSXBMETD-VIFPVBQESA-N 0 3 243.351 0.358 20 0 BCADHN Cc1ccccc1[C@@H](O)CNCC(=O)N(C)C ZINC000818940621 586916918 /nfs/dbraw/zinc/91/69/18/586916918.db2.gz AGOKHEUKHIYEQF-LBPRGKRZSA-N 0 3 236.315 0.706 20 0 BCADHN Cc1ccccc1[C@@H](O)CN[C@@H]1CC(=O)N(C)C1 ZINC000818995022 586921519 /nfs/dbraw/zinc/92/15/19/586921519.db2.gz NFCBQHVCNVXWNW-YPMHNXCESA-N 0 3 248.326 0.849 20 0 BCADHN Cc1ccccc1[C@@H](O)CNCC[S@](C)=O ZINC000819032149 586925679 /nfs/dbraw/zinc/92/56/79/586925679.db2.gz CHWYJSMHLGTOCO-LRDDRELGSA-N 0 3 241.356 0.997 20 0 BCADHN C[S@](=O)CCNC[C@@H](O)Cc1ccccc1 ZINC000819035249 586926392 /nfs/dbraw/zinc/92/63/92/586926392.db2.gz WKWYDFLEXZZCHE-LRDDRELGSA-N 0 3 241.356 0.558 20 0 BCADHN Cc1ccc([C@@H](O)CNCC[S@@](C)=O)cc1 ZINC000819035252 586926425 /nfs/dbraw/zinc/92/64/25/586926425.db2.gz WMTKQLLYQVGNSG-BLLLJJGKSA-N 0 3 241.356 0.997 20 0 BCADHN CCOCC[C@H](O)CNCc1cc(CC)[nH]n1 ZINC000819052643 586927586 /nfs/dbraw/zinc/92/75/86/586927586.db2.gz BGKRCCURCSSXJB-LBPRGKRZSA-N 0 3 241.335 0.849 20 0 BCADHN CCOCC[C@H](O)CNCc1cc(CC)n[nH]1 ZINC000819052643 586927587 /nfs/dbraw/zinc/92/75/87/586927587.db2.gz BGKRCCURCSSXJB-LBPRGKRZSA-N 0 3 241.335 0.849 20 0 BCADHN CCc1cc(CNC[C@H](O)C2CC2)n[nH]1 ZINC000819052660 586927843 /nfs/dbraw/zinc/92/78/43/586927843.db2.gz BMFBUQNEVKRMMX-NSHDSACASA-N 0 3 209.293 0.833 20 0 BCADHN CCc1cc(CNC[C@H](O)C2CC2)[nH]n1 ZINC000819052660 586927845 /nfs/dbraw/zinc/92/78/45/586927845.db2.gz BMFBUQNEVKRMMX-NSHDSACASA-N 0 3 209.293 0.833 20 0 BCADHN CC(C)(C)N1C[C@H](NC[C@H](O)C2CC2)CC1=O ZINC000819125224 586931765 /nfs/dbraw/zinc/93/17/65/586931765.db2.gz CQBKPUUWZWRMGC-MNOVXSKESA-N 0 3 240.347 0.746 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC[C@H](O)C1CC1 ZINC000819258430 586944947 /nfs/dbraw/zinc/94/49/47/586944947.db2.gz MKEPBQYAHAEUSE-SCZZXKLOSA-N 0 3 214.309 0.214 20 0 BCADHN CC1(CCNC[C@@H](O)C(F)(F)F)OCCO1 ZINC000819227017 586939349 /nfs/dbraw/zinc/93/93/49/586939349.db2.gz DNKGDRMOXIHUIN-SSDOTTSWSA-N 0 3 243.225 0.652 20 0 BCADHN CS(=O)(=O)CCN[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000819235134 586940913 /nfs/dbraw/zinc/94/09/13/586940913.db2.gz LBNYQVAKJCFHLH-GHMZBOCLSA-N 0 3 247.360 0.578 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC[C@H](O)C1CC1 ZINC000819258432 586944815 /nfs/dbraw/zinc/94/48/15/586944815.db2.gz MKEPBQYAHAEUSE-WPRPVWTQSA-N 0 3 214.309 0.214 20 0 BCADHN Cc1ccc(CNC[C@@H](O)C2CC2)c(=O)n1C ZINC000819269394 586945459 /nfs/dbraw/zinc/94/54/59/586945459.db2.gz HBOJFGTZFKPOCN-GFCCVEGCSA-N 0 3 236.315 0.554 20 0 BCADHN CS(=O)(=O)C1(CNC[C@@H](O)C2CC2)CCC1 ZINC000819276288 586946454 /nfs/dbraw/zinc/94/64/54/586946454.db2.gz HHNDMOFCJPNJDI-SNVBAGLBSA-N 0 3 247.360 0.314 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)/C=C\[C@H]1CCCO1 ZINC000819281491 586947763 /nfs/dbraw/zinc/94/77/63/586947763.db2.gz VDCZLYXJQKPSCQ-UXFRKABBSA-N 0 3 238.331 0.932 20 0 BCADHN CS(=O)(=O)CCNCC1(C(F)(F)F)CC1 ZINC000819303977 586949128 /nfs/dbraw/zinc/94/91/28/586949128.db2.gz BEASIKIRGHEPAD-UHFFFAOYSA-N 0 3 245.266 0.963 20 0 BCADHN CN(C[C@@H](O)CNOC/C=C\Cl)C1CC1 ZINC000819324501 586951664 /nfs/dbraw/zinc/95/16/64/586951664.db2.gz PTLCKYRQAIXZFG-ODTOEKCJSA-N 0 3 234.727 0.715 20 0 BCADHN O=C1[C@H](NC[C@H](O)C2CC2)C[C@H]2CCCCN12 ZINC000819358434 586956302 /nfs/dbraw/zinc/95/63/02/586956302.db2.gz HKBRDOMPPKMDHL-UTUOFQBUSA-N 0 3 238.331 0.500 20 0 BCADHN CON(C)C(=O)CNC[C@@H](O)CCC(C)C ZINC000819374394 586958392 /nfs/dbraw/zinc/95/83/92/586958392.db2.gz MHWXKXQDZFCAPV-JTQLQIEISA-N 0 3 232.324 0.393 20 0 BCADHN Cc1n[nH]cc1CCCNCCS(C)(=O)=O ZINC000819389525 586960893 /nfs/dbraw/zinc/96/08/93/586960893.db2.gz NFJJQJXDXYOXQV-UHFFFAOYSA-N 0 3 245.348 0.285 20 0 BCADHN COC/C=C/C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000819719180 586987885 /nfs/dbraw/zinc/98/78/85/586987885.db2.gz OBGLPDJQKCQTBH-SJCWFQRBSA-N 0 3 238.331 0.742 20 0 BCADHN COC(OC)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000820242364 587037808 /nfs/dbraw/zinc/03/78/08/587037808.db2.gz TVHWLKZDOQTORW-NXEZZACHSA-N 0 3 244.335 0.546 20 0 BCADHN O=C1OC[C@@H]2CN(CCOC3CCC3)C[C@H]12 ZINC000860167050 589082471 /nfs/dbraw/zinc/08/24/71/589082471.db2.gz ZIURPGLRAMVUMZ-ONGXEEELSA-N 0 3 225.288 0.660 20 0 BCADHN CCn1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)nn1 ZINC000820271490 587039983 /nfs/dbraw/zinc/03/99/83/587039983.db2.gz GTJDRDHYFJFJLF-KOLCDFICSA-N 0 3 249.318 0.074 20 0 BCADHN C[C@H](CO)[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000820288981 587041143 /nfs/dbraw/zinc/04/11/43/587041143.db2.gz ZNUQNTJFBCYPBK-ZCFIWIBFSA-N 0 3 239.304 0.399 20 0 BCADHN C[C@H](CO)[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000820288981 587041145 /nfs/dbraw/zinc/04/11/45/587041145.db2.gz ZNUQNTJFBCYPBK-ZCFIWIBFSA-N 0 3 239.304 0.399 20 0 BCADHN O=C1OC[C@@H]2CN(Cc3ccccn3)C[C@H]12 ZINC000860159267 589083617 /nfs/dbraw/zinc/08/36/17/589083617.db2.gz BKDUDKUSMVWAGT-ONGXEEELSA-N 0 3 218.256 0.686 20 0 BCADHN CC[C@](C)(O)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000820341368 587044197 /nfs/dbraw/zinc/04/41/97/587044197.db2.gz CLASDFDTTOJYFS-STQMWFEESA-N 0 3 240.347 0.702 20 0 BCADHN O=C1OC[C@@H]2CN(C[C@H]3CCCCO3)C[C@H]12 ZINC000860156975 589082751 /nfs/dbraw/zinc/08/27/51/589082751.db2.gz XQJGEPHHTITLFC-AXFHLTTASA-N 0 3 225.288 0.660 20 0 BCADHN C[C@H](O)C[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000820481327 587050811 /nfs/dbraw/zinc/05/08/11/587050811.db2.gz UUJVXSCBYCVJJP-LURJTMIESA-N 0 3 239.304 0.399 20 0 BCADHN C[C@H](O)C[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000820481327 587050812 /nfs/dbraw/zinc/05/08/12/587050812.db2.gz UUJVXSCBYCVJJP-LURJTMIESA-N 0 3 239.304 0.399 20 0 BCADHN COC(OC)C(=O)NCCN1CC[C@H](C)C1 ZINC000820484738 587051230 /nfs/dbraw/zinc/05/12/30/587051230.db2.gz DUNGCVFLLJJZNE-VIFPVBQESA-N 0 3 230.308 0.063 20 0 BCADHN C[C@H](O)CCN(C)C(=O)CN1CCCC1 ZINC000820543656 587053456 /nfs/dbraw/zinc/05/34/56/587053456.db2.gz DATDXVYBWHAXGH-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)CN1CCCC1 ZINC000820543657 587053566 /nfs/dbraw/zinc/05/35/66/587053566.db2.gz DATDXVYBWHAXGH-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN CCOC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000820562021 587054644 /nfs/dbraw/zinc/05/46/44/587054644.db2.gz RVASFADCBGWPOV-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN O=C1OC[C@@H]2CN(CCc3ccncc3)C[C@H]12 ZINC000860159223 589083702 /nfs/dbraw/zinc/08/37/02/589083702.db2.gz ZXDZHRCFIIKCQC-RYUDHWBXSA-N 0 3 232.283 0.729 20 0 BCADHN O=C1OC[C@H]2CN(C[C@H](O)c3ccccc3)C[C@@H]12 ZINC000860158373 589083746 /nfs/dbraw/zinc/08/37/46/589083746.db2.gz NAEKEQOVWMHLAB-UPJWGTAASA-N 0 3 247.294 0.825 20 0 BCADHN C[C@H](NCCN1CCCCC1)c1cnnn1C ZINC000820806194 587073249 /nfs/dbraw/zinc/07/32/49/587073249.db2.gz BZCUTLSGTKCKMN-NSHDSACASA-N 0 3 237.351 0.952 20 0 BCADHN C[C@@H](NC[C@H]1CCCO1)c1cnnn1C ZINC000820805099 587073752 /nfs/dbraw/zinc/07/37/52/587073752.db2.gz FMPBHNPHWMCHOP-RKDXNWHRSA-N 0 3 210.281 0.645 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCSC1)c1cnnn1C ZINC000820812188 587074110 /nfs/dbraw/zinc/07/41/10/587074110.db2.gz FMUAXAGYQATZTD-SCZZXKLOSA-N 0 3 242.348 0.334 20 0 BCADHN C[C@@H](NCCCc1cnn(C)c1)c1cnnn1C ZINC000820808852 587074258 /nfs/dbraw/zinc/07/42/58/587074258.db2.gz PATQERVWJPCZLF-SNVBAGLBSA-N 0 3 248.334 0.832 20 0 BCADHN CNC(=O)C(C)(C)CN[C@@H](C)c1cnnn1C ZINC000820829290 587075655 /nfs/dbraw/zinc/07/56/55/587075655.db2.gz HHJHIJFYRLAHOZ-QMMMGPOBSA-N 0 3 239.323 0.238 20 0 BCADHN CC(=O)NC[C@@H]1CCCCN1C[C@H](O)C1CC1 ZINC000860181693 589088021 /nfs/dbraw/zinc/08/80/21/589088021.db2.gz SLGQEDGIZZTCAX-STQMWFEESA-N 0 3 240.347 0.748 20 0 BCADHN CN1CC[C@](O)(CNC(=O)N[C@H]2C=CCC2)C1 ZINC000821074855 587093906 /nfs/dbraw/zinc/09/39/06/587093906.db2.gz NPFYAGDRMLUGHG-JQWIXIFHSA-N 0 3 239.319 0.071 20 0 BCADHN O=C1OC[C@@H]2CN(CCc3cncs3)C[C@H]12 ZINC000860167205 589085342 /nfs/dbraw/zinc/08/53/42/589085342.db2.gz BREMOAVCBSWUOW-WPRPVWTQSA-N 0 3 238.312 0.790 20 0 BCADHN C/C=C/C(=O)N[C@H](CO)CN1CCCCC1 ZINC000840457283 587105066 /nfs/dbraw/zinc/10/50/66/587105066.db2.gz WYFBYDYDPKIAAR-GSQGTZRGSA-N 0 3 226.320 0.526 20 0 BCADHN CC[C@H](C(=O)N[C@H]1C(=O)OCC1(C)C)N(C)C ZINC000840456997 587105262 /nfs/dbraw/zinc/10/52/62/587105262.db2.gz MULFUZDZRZEIAT-BDAKNGLRSA-N 0 3 242.319 0.394 20 0 BCADHN C[C@H]1CC[C@H](CN2CCCN(C=O)CC2)O1 ZINC000821287471 587105271 /nfs/dbraw/zinc/10/52/71/587105271.db2.gz HJRGCHKHUZEFAP-NWDGAFQWSA-N 0 3 226.320 0.718 20 0 BCADHN CC(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1 ZINC000821328437 587107799 /nfs/dbraw/zinc/10/77/99/587107799.db2.gz IWFJBHZQYMXFMQ-BETUJISGSA-N 0 3 248.330 0.330 20 0 BCADHN CO[C@@H]1CC[C@@H](N(C)CC(=O)NC2CC2)C1 ZINC000821349129 587110316 /nfs/dbraw/zinc/11/03/16/587110316.db2.gz UELADEUTZCZTAJ-GHMZBOCLSA-N 0 3 226.320 0.764 20 0 BCADHN O=C1CC[C@H](CN2CCN(C3CCC3)CC2)O1 ZINC000821374168 587113891 /nfs/dbraw/zinc/11/38/91/587113891.db2.gz MGHWUKJCHNYJPZ-GFCCVEGCSA-N 0 3 238.331 0.862 20 0 BCADHN C[C@@]1(O)CCCN(C[C@H]2CCC(=O)O2)C1 ZINC000821402159 587116934 /nfs/dbraw/zinc/11/69/34/587116934.db2.gz NLRZTQWIQSBBTF-MWLCHTKSSA-N 0 3 213.277 0.539 20 0 BCADHN C[C@H](NC[C@@H]1CCC(=O)O1)c1cnn(C)c1 ZINC000821401999 587117202 /nfs/dbraw/zinc/11/72/02/587117202.db2.gz KLPBUZDJHQJVIJ-WPRPVWTQSA-N 0 3 223.276 0.776 20 0 BCADHN O=C1CC[C@@H](CN2[C@@H]3CC[C@H]2CC(=O)C3)O1 ZINC000821409039 587118021 /nfs/dbraw/zinc/11/80/21/587118021.db2.gz VSLMIDGSAMTTJQ-NGZCFLSTSA-N 0 3 223.272 0.888 20 0 BCADHN O=C1CC[C@H](CN2[C@@H]3CC[C@H]2CC(=O)C3)O1 ZINC000821409040 587118285 /nfs/dbraw/zinc/11/82/85/587118285.db2.gz VSLMIDGSAMTTJQ-WCABBAIRSA-N 0 3 223.272 0.888 20 0 BCADHN CN(CC(=O)N[C@@H](CO)C1CC1)CC(C)(C)C ZINC000821497363 587122879 /nfs/dbraw/zinc/12/28/79/587122879.db2.gz LITXWWPWNBCAOG-NSHDSACASA-N 0 3 242.363 0.851 20 0 BCADHN C[N@@H+]1CC[C@@H](CC(=O)[N-]OCC(F)F)C1 ZINC000821939226 587147745 /nfs/dbraw/zinc/14/77/45/587147745.db2.gz YQPCOIYBVOWTGX-ZETCQYMHSA-N 0 3 222.235 0.641 20 0 BCADHN C[N@H+]1CC[C@@H](CC(=O)[N-]OCC(F)F)C1 ZINC000821939226 587147746 /nfs/dbraw/zinc/14/77/46/587147746.db2.gz YQPCOIYBVOWTGX-ZETCQYMHSA-N 0 3 222.235 0.641 20 0 BCADHN COC(OC)C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000822008545 587149220 /nfs/dbraw/zinc/14/92/20/587149220.db2.gz USDWWVAFIQTBQI-SNVBAGLBSA-N 0 3 244.335 0.594 20 0 BCADHN CCCCC[C@@H](O)C(=O)NCCN(C)C ZINC000822148431 587156530 /nfs/dbraw/zinc/15/65/30/587156530.db2.gz KWMBKLKZIUIGRX-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000822150242 587156605 /nfs/dbraw/zinc/15/66/05/587156605.db2.gz DSZSNHNZPKKUQD-QJPTWQEYSA-N 0 3 240.347 0.962 20 0 BCADHN O=C(CN1CCCC1)N1CCC[C@H]1CCO ZINC000822156228 587157573 /nfs/dbraw/zinc/15/75/73/587157573.db2.gz XEMVOFDTVFZKEO-NSHDSACASA-N 0 3 226.320 0.456 20 0 BCADHN C[N@@H+]1CC[C@@H](CC(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC000822348178 587163995 /nfs/dbraw/zinc/16/39/95/587163995.db2.gz IXOWVQQZAPNCJD-WDEREUQCSA-N 0 3 242.319 0.413 20 0 BCADHN C[N@H+]1CC[C@@H](CC(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC000822348178 587163996 /nfs/dbraw/zinc/16/39/96/587163996.db2.gz IXOWVQQZAPNCJD-WDEREUQCSA-N 0 3 242.319 0.413 20 0 BCADHN CCN1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC000822866983 587190038 /nfs/dbraw/zinc/19/00/38/587190038.db2.gz QYGFDWQUCRNWTL-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CC(C)OCCO[N-]C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000823076838 587200945 /nfs/dbraw/zinc/20/09/45/587200945.db2.gz MHFVKXBMCLTKJE-LLVKDONJSA-N 0 3 244.335 0.801 20 0 BCADHN CC(C)OCCO[N-]C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000823076838 587200946 /nfs/dbraw/zinc/20/09/46/587200946.db2.gz MHFVKXBMCLTKJE-LLVKDONJSA-N 0 3 244.335 0.801 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)CN2CCCC2)C1 ZINC000823101861 587202714 /nfs/dbraw/zinc/20/27/14/587202714.db2.gz WKLJTARHKTWRQZ-RYUDHWBXSA-N 0 3 237.347 0.245 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CCCN1C ZINC000823132126 587204247 /nfs/dbraw/zinc/20/42/47/587204247.db2.gz AGNNZDOXBWDZSC-HBNTYKKESA-N 0 3 226.320 0.574 20 0 BCADHN C[N@@H+]1CC[C@H](CC(=O)[N-]OCC2CC2)C1 ZINC000823146403 587205593 /nfs/dbraw/zinc/20/55/93/587205593.db2.gz YPNTZSUNLICDCK-SNVBAGLBSA-N 0 3 212.293 0.786 20 0 BCADHN C[N@H+]1CC[C@H](CC(=O)[N-]OCC2CC2)C1 ZINC000823146403 587205594 /nfs/dbraw/zinc/20/55/94/587205594.db2.gz YPNTZSUNLICDCK-SNVBAGLBSA-N 0 3 212.293 0.786 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000823275592 587212988 /nfs/dbraw/zinc/21/29/88/587212988.db2.gz AQNKJOVYFOOFRS-IRCOFANPSA-N 0 3 238.331 0.574 20 0 BCADHN [O-]c1ccccc1-c1nc(N2CC[NH2+]CC2)no1 ZINC000823352495 587217643 /nfs/dbraw/zinc/21/76/43/587217643.db2.gz IDCHYETWGVFDGL-UHFFFAOYSA-N 0 3 246.270 0.852 20 0 BCADHN O=C(CN1CCCC1)N1CCC2(CCO2)CC1 ZINC000823764435 587239531 /nfs/dbraw/zinc/23/95/31/587239531.db2.gz YIHPIQVXZOSTNM-UHFFFAOYSA-N 0 3 238.331 0.864 20 0 BCADHN CCn1nc(C)c(CNC[C@@H](C)N(C)C)n1 ZINC000824091125 587254961 /nfs/dbraw/zinc/25/49/61/587254961.db2.gz BXAKMGYTMRKROZ-SECBINFHSA-N 0 3 225.340 0.646 20 0 BCADHN COCC1CN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC000824169306 587259045 /nfs/dbraw/zinc/25/90/45/587259045.db2.gz MVSMWDFSOSBATL-GFCCVEGCSA-N 0 3 240.347 0.964 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NOCC(C)(C)O ZINC000824240883 587262626 /nfs/dbraw/zinc/26/26/26/587262626.db2.gz PBJFYPQCRCNFKO-VIFPVBQESA-N 0 3 245.323 0.082 20 0 BCADHN CON(C)CCNC(=O)[C@@H]1CCCN1C(C)C ZINC000824446666 587270879 /nfs/dbraw/zinc/27/08/79/587270879.db2.gz PMBXFWNUIVZJCA-NSHDSACASA-N 0 3 243.351 0.469 20 0 BCADHN CN(CC1CN(C)C1)C(=O)CN1CCCC1 ZINC000824496388 587272056 /nfs/dbraw/zinc/27/20/56/587272056.db2.gz MMHYHUMIZYXUJD-UHFFFAOYSA-N 0 3 225.336 0.102 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)CN1CCCC1 ZINC000824898205 587292315 /nfs/dbraw/zinc/29/23/15/587292315.db2.gz IUSPJVIEXGLAAZ-LLVKDONJSA-N 0 3 225.336 0.293 20 0 BCADHN CCN(C(=O)[C@@H]1C[C@H]1OC)[C@H]1CCN(CC)C1 ZINC000825018186 587299290 /nfs/dbraw/zinc/29/92/90/587299290.db2.gz IPUUFPHPYWWSIY-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN CN(CC1CN(C)C1)C(=O)/C=C\c1cn(C)cn1 ZINC000825180372 587308360 /nfs/dbraw/zinc/30/83/60/587308360.db2.gz ICHUJUJGARYOPN-PLNGDYQASA-N 0 3 248.330 0.453 20 0 BCADHN Cn1ncc(CNCCN2CCCC2(C)C)n1 ZINC000825331513 587315484 /nfs/dbraw/zinc/31/54/84/587315484.db2.gz IEUPIQWYXDLHJF-UHFFFAOYSA-N 0 3 237.351 0.779 20 0 BCADHN CN(CCO)CCN(C)C(=O)C1(C)CC=CC1 ZINC000825527357 587323483 /nfs/dbraw/zinc/32/34/83/587323483.db2.gz NKSJVDXEMIZIHD-UHFFFAOYSA-N 0 3 240.347 0.725 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@@](C)(O)CC)C1 ZINC000825625561 587328162 /nfs/dbraw/zinc/32/81/62/587328162.db2.gz NEGXTNMDEJBQOY-JQWIXIFHSA-N 0 3 228.336 0.748 20 0 BCADHN C[NH2+]C(C)(C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826073259 587350309 /nfs/dbraw/zinc/35/03/09/587350309.db2.gz LRZAIQITYMKLGN-UHFFFAOYSA-N 0 3 247.306 0.672 20 0 BCADHN C[NH2+]C(C)(C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826073259 587350310 /nfs/dbraw/zinc/35/03/10/587350310.db2.gz LRZAIQITYMKLGN-UHFFFAOYSA-N 0 3 247.306 0.672 20 0 BCADHN CCN1CCC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000826599398 587356387 /nfs/dbraw/zinc/35/63/87/587356387.db2.gz KYNOFQCJIZQFGW-SNVBAGLBSA-N 0 3 236.319 0.553 20 0 BCADHN O=C(NC[C@H]1CCCOC1)[C@]1(F)CCNC1 ZINC000827469070 587382464 /nfs/dbraw/zinc/38/24/64/587382464.db2.gz KTRCTLKOAOJUGJ-KOLCDFICSA-N 0 3 230.283 0.231 20 0 BCADHN Cc1ncc(CNC(=O)[C@]2(F)CCNC2)s1 ZINC000827520178 587385517 /nfs/dbraw/zinc/38/55/17/587385517.db2.gz XCNWYRDPGADXSV-JTQLQIEISA-N 0 3 243.307 0.769 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)Cc1ncc[nH]1 ZINC000827549613 587387000 /nfs/dbraw/zinc/38/70/00/587387000.db2.gz PZSXKAVWVFQINZ-SECBINFHSA-N 0 3 222.292 0.163 20 0 BCADHN O=C(NC[C@@H]1CCCCO1)[C@]1(F)CCNC1 ZINC000827694716 587396177 /nfs/dbraw/zinc/39/61/77/587396177.db2.gz JZPBNWIHPBVZNM-ONGXEEELSA-N 0 3 230.283 0.373 20 0 BCADHN CCOC1CCN(CC[S@@](C)=O)CC1 ZINC000827808304 587403448 /nfs/dbraw/zinc/40/34/48/587403448.db2.gz BWQNQNNWHNZCEH-CQSZACIVSA-N 0 3 219.350 0.866 20 0 BCADHN CC[C@H]1C[C@@H](CN(C)CC(=O)NC)CCO1 ZINC000827862433 587405552 /nfs/dbraw/zinc/40/55/52/587405552.db2.gz FUERFCUTYGJZAL-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H]1C[C@H](CN(C)CC(=O)NC)CCO1 ZINC000827862432 587405659 /nfs/dbraw/zinc/40/56/59/587405659.db2.gz FUERFCUTYGJZAL-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN COCC1CCN(CC[S@@](C)=O)CC1 ZINC000827919749 587409818 /nfs/dbraw/zinc/40/98/18/587409818.db2.gz OPHDWAXOTNGZCR-CQSZACIVSA-N 0 3 219.350 0.723 20 0 BCADHN C[S@](=O)CCN1CC[C@@H](N2CCCCC2)C1 ZINC000827913968 587409917 /nfs/dbraw/zinc/40/99/17/587409917.db2.gz UJDRVCJVWOPZRZ-WBMJQRKESA-N 0 3 244.404 0.925 20 0 BCADHN C[S@@](=O)CCN1CCCOC(C)(C)C1 ZINC000827930686 587410742 /nfs/dbraw/zinc/41/07/42/587410742.db2.gz OUULKAWKNALTIC-CQSZACIVSA-N 0 3 219.350 0.866 20 0 BCADHN C[S@@](=O)CCN(CCCCO)C1CC1 ZINC000827935855 587411378 /nfs/dbraw/zinc/41/13/78/587411378.db2.gz BVCYLGPWRDQCGX-CQSZACIVSA-N 0 3 219.350 0.602 20 0 BCADHN C[C@@H]1C[C@@H](N(C)CC[S@@](C)=O)CCN1C ZINC000827976021 587414464 /nfs/dbraw/zinc/41/44/64/587414464.db2.gz NQLUFLLXRRXVAD-JRPNMDOOSA-N 0 3 232.393 0.779 20 0 BCADHN [NH3+][C@H](CC(=O)[N-]O[C@H]1CCCCO1)C1CC1 ZINC000828062326 587418310 /nfs/dbraw/zinc/41/83/10/587418310.db2.gz GZENWXSEJNRANC-KOLCDFICSA-N 0 3 228.292 0.688 20 0 BCADHN CCCONC(=O)N(CCOC)CCN(C)C ZINC000828268223 587429268 /nfs/dbraw/zinc/42/92/68/587429268.db2.gz FZFKICJLFVIZGG-UHFFFAOYSA-N 0 3 247.339 0.548 20 0 BCADHN CC[C@]1(CO)CCCN1CC[S@](C)=O ZINC000828388980 587439300 /nfs/dbraw/zinc/43/93/00/587439300.db2.gz AQDLQQYCDRNRJI-YGRLFVJLSA-N 0 3 219.350 0.602 20 0 BCADHN COCC[C@]1(NCC[S@@](C)=O)CCOC1 ZINC000828439406 587442368 /nfs/dbraw/zinc/44/23/68/587442368.db2.gz GWRAKFXMVQPIKR-ZUZCIYMTSA-N 0 3 235.349 0.150 20 0 BCADHN COC[C@H](NCC[S@@](C)=O)[C@H]1CCCO1 ZINC000828443660 587442768 /nfs/dbraw/zinc/44/27/68/587442768.db2.gz GCARHBYCJAJZHA-FEUHOPSXSA-N 0 3 235.349 0.149 20 0 BCADHN C[C@@H]1C[C@H](N2CCCC2)CN1CC[S@](C)=O ZINC000828525750 587447323 /nfs/dbraw/zinc/44/73/23/587447323.db2.gz ZSNGPVTUBJSHOP-WQGACYEGSA-N 0 3 244.404 0.924 20 0 BCADHN CN1CC[C@@]2(CCN(CC[S@@](C)=O)C2)C1 ZINC000828571201 587451258 /nfs/dbraw/zinc/45/12/58/587451258.db2.gz NKEORHCIYXPVOG-IAQYHMDHSA-N 0 3 230.377 0.393 20 0 BCADHN COC[C@]1(C)CCN(CC[S@](C)=O)C1 ZINC000828588250 587452259 /nfs/dbraw/zinc/45/22/59/587452259.db2.gz YFNHMOHHKKEJMB-YGRLFVJLSA-N 0 3 219.350 0.723 20 0 BCADHN CS[C@@H]1CCN(CC[S@@](C)=O)C1 ZINC000828587426 587452319 /nfs/dbraw/zinc/45/23/19/587452319.db2.gz HXGRTFRGZWZPLE-PRHODGIISA-N 0 3 207.364 0.802 20 0 BCADHN C[C@@H]1[C@@H](CO)CCCN1CC[S@](C)=O ZINC000828627044 587455035 /nfs/dbraw/zinc/45/50/35/587455035.db2.gz NGKNEAGIAXCBAM-RULNRJAQSA-N 0 3 219.350 0.458 20 0 BCADHN CC(C)CC(=O)CCN1C[C@@H](O)[C@H](CO)C1 ZINC000828620478 587454650 /nfs/dbraw/zinc/45/46/50/587454650.db2.gz BNZYLFXCLNLKGH-CMPLNLGQSA-N 0 3 229.320 0.277 20 0 BCADHN CC(C)CC(=O)CCN1CC[C@H](O)[C@H](CO)C1 ZINC000828626934 587454741 /nfs/dbraw/zinc/45/47/41/587454741.db2.gz MBLRWBYPYJANHG-AAEUAGOBSA-N 0 3 243.347 0.667 20 0 BCADHN C[S@@](=O)CCN1CC[C@@H](O)CC12CCC2 ZINC000828634069 587454975 /nfs/dbraw/zinc/45/49/75/587454975.db2.gz ZTXFVQVYZPATPE-MEBBXXQBSA-N 0 3 231.361 0.744 20 0 BCADHN CC(C)O[C@@H]1CCN(CCN2CCOC2=O)C1 ZINC000828856783 587467086 /nfs/dbraw/zinc/46/70/86/587467086.db2.gz VOGATXLUYDRDIW-LLVKDONJSA-N 0 3 242.319 0.938 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCOC1 ZINC000828960885 587475922 /nfs/dbraw/zinc/47/59/22/587475922.db2.gz UBLOVRWJMUDMTM-GRYCIOLGSA-N 0 3 238.331 0.718 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000828959400 587476098 /nfs/dbraw/zinc/47/60/98/587476098.db2.gz NCAXCXHUVZBFSQ-DDHJBXDOSA-N 0 3 238.331 0.716 20 0 BCADHN C[C@@H](O)C(=O)OCCCSCCN(C)C ZINC000829290686 587492005 /nfs/dbraw/zinc/49/20/05/587492005.db2.gz FCKTYIGQLFKIFO-SECBINFHSA-N 0 3 235.349 0.595 20 0 BCADHN CC1=NO[C@H](C(=O)NCCN2CC[C@H](C)C2)C1 ZINC000829439633 587496897 /nfs/dbraw/zinc/49/68/97/587496897.db2.gz DRQXGYDNCYLACU-ONGXEEELSA-N 0 3 239.319 0.609 20 0 BCADHN CC1=NO[C@@H](C(=O)NCCN2CC[C@H](C)C2)C1 ZINC000829439622 587497156 /nfs/dbraw/zinc/49/71/56/587497156.db2.gz DRQXGYDNCYLACU-GXSJLCMTSA-N 0 3 239.319 0.609 20 0 BCADHN C[S@](=O)CCN1CCCCC[C@@H]1CCO ZINC000829536054 587502576 /nfs/dbraw/zinc/50/25/76/587502576.db2.gz NDHCHINPQOFLSG-ABAIWWIYSA-N 0 3 233.377 0.992 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N[C@]12C[C@H]1COC2 ZINC000829571257 587504633 /nfs/dbraw/zinc/50/46/33/587504633.db2.gz WMDLATHCXTXFRI-GVXVVHGQSA-N 0 3 238.331 0.764 20 0 BCADHN CN(CCO)CCNC(=O)[C@@]1(C)C=CCC1 ZINC000829756525 587514271 /nfs/dbraw/zinc/51/42/71/587514271.db2.gz GAUYCXUUWGYXAM-LBPRGKRZSA-N 0 3 226.320 0.383 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CC=C(N)N1 ZINC000829825255 587520899 /nfs/dbraw/zinc/52/08/99/587520899.db2.gz MEFKWXFKKAQWOU-SECBINFHSA-N 0 3 224.308 0.008 20 0 BCADHN CC[C@@H](C(=O)N1CC=C(N)N1)N(CC)CC ZINC000829831112 587521291 /nfs/dbraw/zinc/52/12/91/587521291.db2.gz HPHKVKPUEYMSAN-VIFPVBQESA-N 0 3 226.324 0.254 20 0 BCADHN NC1=CCN(C(=O)C2CCN(C3CC3)CC2)N1 ZINC000829844319 587523081 /nfs/dbraw/zinc/52/30/81/587523081.db2.gz JNEVSCJRHJRUQD-UHFFFAOYSA-N 0 3 236.319 0.008 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N1CC=C(N)N1 ZINC000829861291 587525425 /nfs/dbraw/zinc/52/54/25/587525425.db2.gz CLOWJJSCCXTDDH-SECBINFHSA-N 0 3 224.308 0.006 20 0 BCADHN Cc1nonc1CNC(=O)[C@@H](N)CC(C)C ZINC000829865809 587526189 /nfs/dbraw/zinc/52/61/89/587526189.db2.gz RBEZNQRDYVEXRS-QMMMGPOBSA-N 0 3 226.280 0.368 20 0 BCADHN CO[C@@H]1COC[C@H]1NCC1(O)CCCCC1 ZINC000830086260 587535274 /nfs/dbraw/zinc/53/52/74/587535274.db2.gz XFKUSCIXJNDGSD-GHMZBOCLSA-N 0 3 229.320 0.685 20 0 BCADHN COC[C@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000830190087 587540580 /nfs/dbraw/zinc/54/05/80/587540580.db2.gz SLYLYIJZIALIBG-ONGXEEELSA-N 0 3 230.283 0.183 20 0 BCADHN CCN(CCc1ccccn1)C(=O)[C@H](C)N ZINC000830355835 587547378 /nfs/dbraw/zinc/54/73/78/587547378.db2.gz OSXCNFGDUCULJY-JTQLQIEISA-N 0 3 221.304 0.820 20 0 BCADHN CCO[C@@H]1C[C@@H](NCC2OCCO2)[C@@H]1SC ZINC000830457160 587551889 /nfs/dbraw/zinc/55/18/89/587551889.db2.gz ZNYSBFDMUCSQLV-KKZNHRDASA-N 0 3 247.360 0.858 20 0 BCADHN NS(=O)(=O)CCN1CCCC[C@@H]1C1CCC1 ZINC000830987483 587580267 /nfs/dbraw/zinc/58/02/67/587580267.db2.gz DYPTWYYEXLLHPZ-LLVKDONJSA-N 0 3 246.376 0.930 20 0 BCADHN CN(C)CCOCCNC(=O)OC1CCC1 ZINC000831080843 587585285 /nfs/dbraw/zinc/58/52/85/587585285.db2.gz JUFFPUWOQNFHEA-UHFFFAOYSA-N 0 3 230.308 0.843 20 0 BCADHN CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@@]1(F)CCNC1 ZINC000831156212 587588277 /nfs/dbraw/zinc/58/82/77/587588277.db2.gz QODXGKFNWLYONX-HOSYDEDBSA-N 0 3 244.310 0.714 20 0 BCADHN CC[C@H](C[C@@H](C)O)NC(=O)[C@H](CC)N(C)C ZINC000831285754 587593407 /nfs/dbraw/zinc/59/34/07/587593407.db2.gz GDCTVULLXKDXFE-MXWKQRLJSA-N 0 3 230.352 0.992 20 0 BCADHN C[C@H](NC(=O)[C@@]1(F)CCNC1)c1cn[nH]c1 ZINC000831461279 587610084 /nfs/dbraw/zinc/61/00/84/587610084.db2.gz JIYJJNJDOWIWCP-OIBJUYFYSA-N 0 3 226.255 0.289 20 0 BCADHN O=C(N1CCOC[C@@H]1C1CC1)[C@]1(F)CCNC1 ZINC000831470585 587611858 /nfs/dbraw/zinc/61/18/58/587611858.db2.gz PDNZXWPVNHKCHC-PWSUYJOCSA-N 0 3 242.294 0.325 20 0 BCADHN CCON(CC)C(=O)C(C)S(C)(=O)=O ZINC000831486860 587613273 /nfs/dbraw/zinc/61/32/73/587613273.db2.gz AGKDVUOLOQSVKR-ZETCQYMHSA-N 0 3 223.294 0.220 20 0 BCADHN C[C@@H]1C[C@@H](CNC(=O)[C@@]2(F)CCNC2)CCO1 ZINC000831502633 587614966 /nfs/dbraw/zinc/61/49/66/587614966.db2.gz WOAPSEUXCYXKBN-JFGNBEQYSA-N 0 3 244.310 0.619 20 0 BCADHN C[C@@H]1C[C@H](CNC(=O)[C@]2(F)CCNC2)CCO1 ZINC000831502632 587615073 /nfs/dbraw/zinc/61/50/73/587615073.db2.gz WOAPSEUXCYXKBN-FOGDFJRCSA-N 0 3 244.310 0.619 20 0 BCADHN CO[C@@H]1CCC[C@H]1CNC(=O)[C@@]1(F)CCNC1 ZINC000831518468 587615890 /nfs/dbraw/zinc/61/58/90/587615890.db2.gz UWOMMLRFSNPDAP-HOSYDEDBSA-N 0 3 244.310 0.619 20 0 BCADHN CO[C@@H]1CCC[C@@H]1CNC(=O)[C@]1(F)CCNC1 ZINC000831518467 587616090 /nfs/dbraw/zinc/61/60/90/587616090.db2.gz UWOMMLRFSNPDAP-FOGDFJRCSA-N 0 3 244.310 0.619 20 0 BCADHN CN(Cc1ncc(Cl)n1C)C(=O)C(C)(C)N ZINC000831534688 587617201 /nfs/dbraw/zinc/61/72/01/587617201.db2.gz KSAISPILKVVJGQ-UHFFFAOYSA-N 0 3 244.726 0.769 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000831528652 587617254 /nfs/dbraw/zinc/61/72/54/587617254.db2.gz TYXASISSCVURIG-CMPLNLGQSA-N 0 3 244.310 0.571 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2ccc[n+]([O-])c2)CCN1 ZINC000831600271 587622375 /nfs/dbraw/zinc/62/23/75/587622375.db2.gz YUVJWSCKGPUEAC-GFCCVEGCSA-N 0 3 249.314 0.390 20 0 BCADHN CCO[C@@H](CNC(=O)CC1COC1)CN(C)C ZINC000831709302 587628550 /nfs/dbraw/zinc/62/85/50/587628550.db2.gz YQNBHRRCFAAPGD-NSHDSACASA-N 0 3 244.335 0.106 20 0 BCADHN CC1=NO[C@@H](C(=O)NCC2=CCN(C)CC2)C1 ZINC000831726586 587628947 /nfs/dbraw/zinc/62/89/47/587628947.db2.gz DCFNITCCMBPMDP-LLVKDONJSA-N 0 3 237.303 0.529 20 0 BCADHN CCCOC(=O)[C@@H](C)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000831723839 587629253 /nfs/dbraw/zinc/62/92/53/587629253.db2.gz RANVFSBUCDRDFM-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CCn1nc(C)c(CNC(=O)C2(N)CCC2)n1 ZINC000831752777 587630192 /nfs/dbraw/zinc/63/01/92/587630192.db2.gz DETHKMMWAZYRSF-UHFFFAOYSA-N 0 3 237.307 0.104 20 0 BCADHN CCO[C@@H](CNC(=O)[C@H](C)OCC)CN(C)C ZINC000831766690 587631026 /nfs/dbraw/zinc/63/10/26/587631026.db2.gz VQOAQQOPYOUUJY-QWRGUYRKSA-N 0 3 246.351 0.494 20 0 BCADHN CNCC(=O)N[C@@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000831921122 587637071 /nfs/dbraw/zinc/63/70/71/587637071.db2.gz HONGKXLHFJKREB-QPUJVOFHSA-N 0 3 240.278 0.583 20 0 BCADHN O=C(N[C@H]1CCCC[C@@H]1O)[C@]1(F)CCNC1 ZINC000831934116 587637799 /nfs/dbraw/zinc/63/77/99/587637799.db2.gz XTLVRUCFGHVAQX-QXEWZRGKSA-N 0 3 230.283 0.108 20 0 BCADHN CCOC[C@@H](NC(=O)[C@]1(F)CCNC1)C(C)C ZINC000831961618 587639448 /nfs/dbraw/zinc/63/94/48/587639448.db2.gz YMISHLLGRABHCX-PWSUYJOCSA-N 0 3 246.326 0.865 20 0 BCADHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC1OCCO1 ZINC000832083720 587644489 /nfs/dbraw/zinc/64/44/89/587644489.db2.gz DYHYEXZHUJHEHC-ZJUUUORDSA-N 0 3 243.303 0.681 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)[C@]1(F)CCNC1 ZINC000832166790 587645423 /nfs/dbraw/zinc/64/54/23/587645423.db2.gz RRDXWCVZVAIMIH-XKSSXDPKSA-N 0 3 218.272 0.228 20 0 BCADHN C[C@H]1CNCCN1C(=O)c1cccc(CN)c1 ZINC000832465197 587661892 /nfs/dbraw/zinc/66/18/92/587661892.db2.gz GOLJJJLWPHZUQM-JTQLQIEISA-N 0 3 233.315 0.579 20 0 BCADHN CC[C@@H]1CC[C@H](C)N(CCS(N)(=O)=O)C1 ZINC000832468198 587661902 /nfs/dbraw/zinc/66/19/02/587661902.db2.gz GVNPQRMQVMSMGM-VHSXEESVSA-N 0 3 234.365 0.785 20 0 BCADHN CCCCC[C@H](O)C(=O)N[C@@H](C)CN(C)C ZINC000832534677 587665668 /nfs/dbraw/zinc/66/56/68/587665668.db2.gz MTCWOXLWSIQSAT-QWRGUYRKSA-N 0 3 230.352 0.994 20 0 BCADHN C[NH2+][C@H]1CCCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000832559821 587666430 /nfs/dbraw/zinc/66/64/30/587666430.db2.gz NFIDBENJJKQHHE-JTQLQIEISA-N 0 3 249.314 0.798 20 0 BCADHN CCC[C@H](O)CCNC(=O)[C@@H](CC)N(C)C ZINC000832657086 587674576 /nfs/dbraw/zinc/67/45/76/587674576.db2.gz NCPWPCGWBXIZKE-WDEREUQCSA-N 0 3 230.352 0.994 20 0 BCADHN CC1=NO[C@H](C(=O)NCC2(N(C)C)CCC2)C1 ZINC000832696404 587677837 /nfs/dbraw/zinc/67/78/37/587677837.db2.gz JSSFNUFUIAORBA-JTQLQIEISA-N 0 3 239.319 0.752 20 0 BCADHN C[Si](C)(C)CN1CCOC[C@@H]1CC(N)=O ZINC000832751050 587683624 /nfs/dbraw/zinc/68/36/24/587683624.db2.gz KYEYAUWZBYRIOW-VIFPVBQESA-N 0 3 230.384 0.440 20 0 BCADHN CON(C)C(=O)CN(C)[C@@H]1CCN(C(C)C)C1 ZINC000832779113 587688475 /nfs/dbraw/zinc/68/84/75/587688475.db2.gz UNQGFALUUVMIDM-LLVKDONJSA-N 0 3 243.351 0.421 20 0 BCADHN CCCN(C)CC(=O)NCC1OCCCO1 ZINC000832785667 587689788 /nfs/dbraw/zinc/68/97/88/587689788.db2.gz WOSFSUUTUDRKDQ-UHFFFAOYSA-N 0 3 230.308 0.207 20 0 BCADHN COC(C)(C)CNC1CC[NH+](CC(=O)[O-])CC1 ZINC000833718575 587729142 /nfs/dbraw/zinc/72/91/42/587729142.db2.gz MZQSYBHZDVGQSZ-UHFFFAOYSA-N 0 3 244.335 0.550 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)C3=COCCC3)C[C@@H]21 ZINC000834310457 587750976 /nfs/dbraw/zinc/75/09/76/587750976.db2.gz NGGZNYWWSYBHFG-PWSUYJOCSA-N 0 3 236.315 0.843 20 0 BCADHN C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(N)cc1[O-] ZINC000834365589 587753283 /nfs/dbraw/zinc/75/32/83/587753283.db2.gz IBQQUUJXTVVTTQ-IUCAKERBSA-N 0 3 249.314 0.784 20 0 BCADHN C/C=C/C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000834568838 587759523 /nfs/dbraw/zinc/75/95/23/587759523.db2.gz DPNNVJBUZXVFQI-FUEXJSSKSA-N 0 3 226.320 0.478 20 0 BCADHN CC(=O)c1ccc(C(=O)N[C@@H](C)C[NH3+])cc1[O-] ZINC000834622910 587761698 /nfs/dbraw/zinc/76/16/98/587761698.db2.gz HSKHNUDDLALFFP-ZETCQYMHSA-N 0 3 236.271 0.672 20 0 BCADHN CCN(CC)CC(=O)NC[C@H]1C[C@H](O)C1 ZINC000834767326 587764902 /nfs/dbraw/zinc/76/49/02/587764902.db2.gz SZOKHEFBPXROCJ-MGCOHNPYSA-N 0 3 214.309 0.215 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)c1cnsn1 ZINC000834846547 587768577 /nfs/dbraw/zinc/76/85/77/587768577.db2.gz ZQNCVTRMNRNWKH-LURJTMIESA-N 0 3 248.258 0.265 20 0 BCADHN CCC[C@H](COC(=O)C1CCN(C)C1=O)OC ZINC000835546472 587807482 /nfs/dbraw/zinc/80/74/82/587807482.db2.gz TYXXWYGKFRPBNZ-NXEZZACHSA-N 0 3 243.303 0.823 20 0 BCADHN CS[C@@H](C)COC(=O)C1CCN(C)C1=O ZINC000835686179 587812865 /nfs/dbraw/zinc/81/28/65/587812865.db2.gz SGQVLVWOAVAJJH-JGVFFNPUSA-N 0 3 231.317 0.759 20 0 BCADHN CC(C)ONC(=O)NCCN(C)C1CC1 ZINC000836349782 587830412 /nfs/dbraw/zinc/83/04/12/587830412.db2.gz VEKAPGCTYYIRFY-UHFFFAOYSA-N 0 3 215.297 0.720 20 0 BCADHN CC(C)ONC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000836351039 587831150 /nfs/dbraw/zinc/83/11/50/587831150.db2.gz YLYLPPKBGBLUID-VIFPVBQESA-N 0 3 227.308 0.862 20 0 BCADHN CC(C)ONC(=O)NC[C@@H]1CCCN1C ZINC000836344672 587831312 /nfs/dbraw/zinc/83/13/12/587831312.db2.gz ATRWEODGPILRPL-VIFPVBQESA-N 0 3 215.297 0.720 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NOC1CCC1 ZINC000836346698 587831405 /nfs/dbraw/zinc/83/14/05/587831405.db2.gz VXCULBYVEQZSNH-VIFPVBQESA-N 0 3 227.308 0.864 20 0 BCADHN C[C@@H](CNC(=O)NC[C@H]1CCC=CO1)N(C)C ZINC000836413125 587832910 /nfs/dbraw/zinc/83/29/10/587832910.db2.gz INZIXDHJXATRNY-WDEREUQCSA-N 0 3 241.335 0.928 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H](CO)C1CC1)N(C)C ZINC000836622437 587835624 /nfs/dbraw/zinc/83/56/24/587835624.db2.gz CBMKMDXFSUGDAP-WPRPVWTQSA-N 0 3 229.324 0.007 20 0 BCADHN CC[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)O ZINC000836863279 587840302 /nfs/dbraw/zinc/84/03/02/587840302.db2.gz WPYOHCIVAPGFCD-UWVGGRQHSA-N 0 3 228.336 0.746 20 0 BCADHN CC[C@H](CO)C(=O)NCCN1CCCC1(C)C ZINC000837173990 587857913 /nfs/dbraw/zinc/85/79/13/587857913.db2.gz BCLZGANFUAJEGL-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN CCC(=O)[C@@H](C)OC(=O)C1CCCN(C)C1=O ZINC000837955856 587905362 /nfs/dbraw/zinc/90/53/62/587905362.db2.gz JIHJBPCACYUISE-RKDXNWHRSA-N 0 3 241.287 0.766 20 0 BCADHN CCO[C@H]1C[C@@H](NC(=S)NCCN(C)C)C1 ZINC000840842424 587925191 /nfs/dbraw/zinc/92/51/91/587925191.db2.gz TVPMNRLQJCYVTF-AOOOYVTPSA-N 0 3 245.392 0.580 20 0 BCADHN C[C@@H]1C[C@H](NC(=S)NCCN(C)C)CS1 ZINC000840860074 587926124 /nfs/dbraw/zinc/92/61/24/587926124.db2.gz YLGKWYWKNGJQNU-BDAKNGLRSA-N 0 3 247.433 0.906 20 0 BCADHN CCOC1CC(NCCS(=O)(=O)C2CC2)C1 ZINC000840880581 587927740 /nfs/dbraw/zinc/92/77/40/587927740.db2.gz VGCPRDUFWQWQCM-UHFFFAOYSA-N 0 3 247.360 0.721 20 0 BCADHN Nc1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)c([O-])c1 ZINC000841846110 587977274 /nfs/dbraw/zinc/97/72/74/587977274.db2.gz LQDVRQQKDZISQO-JTQLQIEISA-N 0 3 249.314 0.846 20 0 BCADHN CC[NH2+]CCCNC(=O)c1ccc(N)cc1[O-] ZINC000841846726 587977307 /nfs/dbraw/zinc/97/73/07/587977307.db2.gz ZYXSIVQHOXLRTD-UHFFFAOYSA-N 0 3 237.303 0.704 20 0 BCADHN Nc1ccc(C(=O)NCC2([NH3+])CCC2)c([O-])c1 ZINC000841849669 587977802 /nfs/dbraw/zinc/97/78/02/587977802.db2.gz FRXRKTGSASCXKF-UHFFFAOYSA-N 0 3 235.287 0.586 20 0 BCADHN CC1(C)CNCCN1C(=O)c1ccc(N)cc1O ZINC000841849036 587977900 /nfs/dbraw/zinc/97/79/00/587977900.db2.gz MUVBKOBIPSQMBP-UHFFFAOYSA-N 0 3 249.314 0.798 20 0 BCADHN C[C@@H](CC[NH3+])NC(=O)c1ccc(N)cc1[O-] ZINC000841849442 587977973 /nfs/dbraw/zinc/97/79/73/587977973.db2.gz UWOHACMOBHWFTO-ZETCQYMHSA-N 0 3 223.276 0.442 20 0 BCADHN O=C(NC[C@H]1CNCCO1)NOC1CCCC1 ZINC000841868298 587979428 /nfs/dbraw/zinc/97/94/28/587979428.db2.gz SZNOJJSOYTZJTF-SNVBAGLBSA-N 0 3 243.307 0.148 20 0 BCADHN O=C(NOC1CCCC1)N1CCCNCC1 ZINC000841867963 587979582 /nfs/dbraw/zinc/97/95/82/587979582.db2.gz RAIZFROOENTDMV-UHFFFAOYSA-N 0 3 227.308 0.866 20 0 BCADHN CSCCONC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000841889881 587981207 /nfs/dbraw/zinc/98/12/07/587981207.db2.gz HNDZXLQDTQVAIC-BDAKNGLRSA-N 0 3 247.364 0.673 20 0 BCADHN CC[C@@H](COC(=O)C1CCN(C)C1=O)OC ZINC000842093343 587998559 /nfs/dbraw/zinc/99/85/59/587998559.db2.gz OASRRBRTUIAAMH-DTWKUNHWSA-N 0 3 229.276 0.433 20 0 BCADHN COC(=O)CNC(=O)[C@H]1CCCN1C(C)C ZINC000842167743 588005191 /nfs/dbraw/zinc/00/51/91/588005191.db2.gz HHTXYSNIFIURQI-SECBINFHSA-N 0 3 228.292 0.148 20 0 BCADHN CCCCCCNC(=O)C(=O)N(C)CCN ZINC000842212374 588007625 /nfs/dbraw/zinc/00/76/25/588007625.db2.gz AEPQXNWXMJXKAX-UHFFFAOYSA-N 0 3 229.324 0.100 20 0 BCADHN CSc1cnc(N(C)C2CNC2)nc1 ZINC000842300032 588015202 /nfs/dbraw/zinc/01/52/02/588015202.db2.gz KXFSXKLIYFLIJS-UHFFFAOYSA-N 0 3 210.306 0.607 20 0 BCADHN COC(=O)N1CC(N[C@@H]2CO[C@@H](C)C2)C1 ZINC000842691263 588053141 /nfs/dbraw/zinc/05/31/41/588053141.db2.gz DOPHHJDLZVRYOO-YUMQZZPRSA-N 0 3 214.265 0.204 20 0 BCADHN C[C@@H]1C[C@H](NCCS(=O)(=O)CC2CC2)CO1 ZINC000842691337 588052982 /nfs/dbraw/zinc/05/29/82/588052982.db2.gz GKPHZKSJPBGWAD-KOLCDFICSA-N 0 3 247.360 0.578 20 0 BCADHN CCN(OC)C(=O)CNC[C@H]1CCCOC1 ZINC000842768569 588061151 /nfs/dbraw/zinc/06/11/51/588061151.db2.gz AZSLVEBIRZEQRL-SNVBAGLBSA-N 0 3 230.308 0.413 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)COC ZINC000842769193 588061226 /nfs/dbraw/zinc/06/12/26/588061226.db2.gz LMXFOBOPUCVPGD-MRVPVSSYSA-N 0 3 204.270 0.021 20 0 BCADHN C[C@H](NCCCc1ncn(C)n1)c1ncc[nH]1 ZINC000842900709 588071532 /nfs/dbraw/zinc/07/15/32/588071532.db2.gz HAVMLMMTXVQKCU-VIFPVBQESA-N 0 3 234.307 0.822 20 0 BCADHN CC[C@@H](C)C[C@@H](CO)NCCS(C)(=O)=O ZINC000843076054 588079497 /nfs/dbraw/zinc/07/94/97/588079497.db2.gz DGTIJBQNYHKJCP-ZJUUUORDSA-N 0 3 237.365 0.418 20 0 BCADHN CN(C)CCn1cc(C(=O)N2CCCO2)cn1 ZINC000867317619 588078528 /nfs/dbraw/zinc/07/85/28/588078528.db2.gz ROLILLBWJMLQBD-UHFFFAOYSA-N 0 3 238.291 0.222 20 0 BCADHN CC[C@H](O)CNC[C@@H](O)c1cccnc1 ZINC000843063193 588078652 /nfs/dbraw/zinc/07/86/52/588078652.db2.gz XGBSDMPLIOYLHP-WDEREUQCSA-N 0 3 210.277 0.476 20 0 BCADHN Cc1cc(C)cc([C@H](O)CNC[C@@H](O)CO)c1 ZINC000843063686 588078789 /nfs/dbraw/zinc/07/87/89/588078789.db2.gz VQFINEAVUIQTHU-CHWSQXEVSA-N 0 3 239.315 0.280 20 0 BCADHN CCS(=O)(=O)CCNCC1(CCO)CCC1 ZINC000843100354 588078992 /nfs/dbraw/zinc/07/89/92/588078992.db2.gz JLMOUEJCTUZSND-UHFFFAOYSA-N 0 3 249.376 0.563 20 0 BCADHN CC(C)C[C@@H](O)CNC[C@H](C)S(C)(=O)=O ZINC000843070355 588079063 /nfs/dbraw/zinc/07/90/63/588079063.db2.gz PEASRTPHYHHJRI-VHSXEESVSA-N 0 3 237.365 0.416 20 0 BCADHN Cc1ccccc1[C@@H](O)CNCCC(N)=O ZINC000843074011 588079467 /nfs/dbraw/zinc/07/94/67/588079467.db2.gz KROSCQGXTDMDBQ-NSHDSACASA-N 0 3 222.288 0.493 20 0 BCADHN C[C@@H](NCCC(N)=O)[C@H](O)c1ccc(F)cc1 ZINC000843074292 588079545 /nfs/dbraw/zinc/07/95/45/588079545.db2.gz LPPPCYBFAYMGRT-PELKAZGASA-N 0 3 240.278 0.713 20 0 BCADHN Cc1ccccc1[C@H](O)CNCCC(N)=O ZINC000843074004 588079660 /nfs/dbraw/zinc/07/96/60/588079660.db2.gz KROSCQGXTDMDBQ-LLVKDONJSA-N 0 3 222.288 0.493 20 0 BCADHN COC[C@@H](CO)NC[C@@H](O)c1ccc(C)cc1 ZINC000843082006 588080411 /nfs/dbraw/zinc/08/04/11/588080411.db2.gz WVWLEWTYXIZEIC-CHWSQXEVSA-N 0 3 239.315 0.625 20 0 BCADHN CC[C@H](C[C@H](C)CO)NCCS(C)(=O)=O ZINC000843097920 588080927 /nfs/dbraw/zinc/08/09/27/588080927.db2.gz IDWCZVHRXREYAI-VHSXEESVSA-N 0 3 237.365 0.418 20 0 BCADHN O[C@H](CN[C@@H]1CC[C@H]1O)c1ccccc1F ZINC000843113906 588082114 /nfs/dbraw/zinc/08/21/14/588082114.db2.gz BDUMQBOTDPWMAY-IJLUTSLNSA-N 0 3 225.263 0.972 20 0 BCADHN CCCCCC[C@H](O)CNC[C@@H](O)C(=O)NC ZINC000843112189 588082405 /nfs/dbraw/zinc/08/24/05/588082405.db2.gz XDLQKPYNLMHMKA-WDEREUQCSA-N 0 3 246.351 0.014 20 0 BCADHN C[C@H](O)CN[C@H]1COc2ccccc2[C@@H]1O ZINC000843115838 588082933 /nfs/dbraw/zinc/08/29/33/588082933.db2.gz JXCWLYQHJCUBJP-PEXQALLHSA-N 0 3 223.272 0.451 20 0 BCADHN O[C@@H]1c2ccccc2OC[C@@H]1NCC1(O)CCC1 ZINC000843117191 588082971 /nfs/dbraw/zinc/08/29/71/588082971.db2.gz OYZKRXTUCFANMI-WCQYABFASA-N 0 3 249.310 0.986 20 0 BCADHN Cc1cc(CN2CCNC[C@@H]2C(F)F)nn1C ZINC000843124922 588083657 /nfs/dbraw/zinc/08/36/57/588083657.db2.gz POUBPVJCAMMFOE-SNVBAGLBSA-N 0 3 244.289 0.767 20 0 BCADHN F[C@]1(c2nc(-c3ccncn3)no2)CCNC1 ZINC000843230349 588094447 /nfs/dbraw/zinc/09/44/47/588094447.db2.gz JMTFANDTLYADKU-SNVBAGLBSA-N 0 3 235.222 0.685 20 0 BCADHN F[C@@]1(c2nc(-c3ccncn3)no2)CCNC1 ZINC000843230348 588094678 /nfs/dbraw/zinc/09/46/78/588094678.db2.gz JMTFANDTLYADKU-JTQLQIEISA-N 0 3 235.222 0.685 20 0 BCADHN C[C@@H]1[C@H](c2nc(N(C)C)no2)CCN1C ZINC000843315761 588099639 /nfs/dbraw/zinc/09/96/39/588099639.db2.gz AVXNTEOSXZHEEQ-HTQZYQBOSA-N 0 3 210.281 0.943 20 0 BCADHN O=C([C@H]1CCCN(CCF)C1)N1CCNCC1 ZINC000843346907 588101291 /nfs/dbraw/zinc/10/12/91/588101291.db2.gz POSYGADDTDYXDM-NSHDSACASA-N 0 3 243.326 0.100 20 0 BCADHN CCNCC(=O)NCCCOCC(F)(F)F ZINC000843378605 588105379 /nfs/dbraw/zinc/10/53/79/588105379.db2.gz HLGRHLWJMYRPIA-UHFFFAOYSA-N 0 3 242.241 0.681 20 0 BCADHN FCCN1CCNC[C@H]1c1cccnc1 ZINC000843378497 588105780 /nfs/dbraw/zinc/10/57/80/588105780.db2.gz BHTUZFIRVFXISN-NSHDSACASA-N 0 3 209.268 0.997 20 0 BCADHN CCNCC(=O)NCc1ccccc1CO ZINC000843397460 588106108 /nfs/dbraw/zinc/10/61/08/588106108.db2.gz MVRWTHRHWITCDJ-UHFFFAOYSA-N 0 3 222.288 0.405 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CSC[C@H]1C ZINC000843429980 588108792 /nfs/dbraw/zinc/10/87/92/588108792.db2.gz FKBVJVZXLLOUKU-BDAKNGLRSA-N 0 3 232.349 0.737 20 0 BCADHN CCN(OC)C(=O)CNC1CC(OC)C1 ZINC000843430938 588109021 /nfs/dbraw/zinc/10/90/21/588109021.db2.gz SJJMIDJFZIXGTK-UHFFFAOYSA-N 0 3 216.281 0.163 20 0 BCADHN CCN(OC)C(=O)CN[C@@H](C)[C@@H]1CCOC1 ZINC000843431095 588109054 /nfs/dbraw/zinc/10/90/54/588109054.db2.gz WPYFOCJOQFZNQU-VHSXEESVSA-N 0 3 230.308 0.411 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)CCOC ZINC000843430772 588109409 /nfs/dbraw/zinc/10/94/09/588109409.db2.gz PUBLELFNOMLLDM-SECBINFHSA-N 0 3 218.297 0.411 20 0 BCADHN CCNCC(=O)NCC(=O)OC1CCCCC1 ZINC000843445943 588110934 /nfs/dbraw/zinc/11/09/34/588110934.db2.gz YVXHKRHWFUNNTO-UHFFFAOYSA-N 0 3 242.319 0.588 20 0 BCADHN Cc1nonc1CNC(=O)C1(N)CCCC1 ZINC000843441824 588110951 /nfs/dbraw/zinc/11/09/51/588110951.db2.gz KZCDFCODZNHIBK-UHFFFAOYSA-N 0 3 224.264 0.266 20 0 BCADHN CO[C@H](C)CN(C(=O)[C@]1(F)CCNC1)C(C)C ZINC000843442761 588111050 /nfs/dbraw/zinc/11/10/50/588111050.db2.gz PFMGAMQHFUXAQI-PWSUYJOCSA-N 0 3 246.326 0.960 20 0 BCADHN CCNCC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000843448157 588111310 /nfs/dbraw/zinc/11/13/10/588111310.db2.gz LANLNHCGXQWNDR-VIFPVBQESA-N 0 3 241.335 0.112 20 0 BCADHN C[C@H]1NCCN(C(=O)[C@H](O)c2ccccc2)[C@H]1C ZINC000843473091 588114126 /nfs/dbraw/zinc/11/41/26/588114126.db2.gz BAHVSZWYIDAMFS-NTZNESFSSA-N 0 3 248.326 0.929 20 0 BCADHN CCNCC(=O)NCc1ccc(O)c(OC)c1 ZINC000843486100 588114764 /nfs/dbraw/zinc/11/47/64/588114764.db2.gz PZRAKFVMXUDUCV-UHFFFAOYSA-N 0 3 238.287 0.627 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC000843495802 588115457 /nfs/dbraw/zinc/11/54/57/588115457.db2.gz VXXKQJLRUSTVME-BDAKNGLRSA-N 0 3 222.292 0.811 20 0 BCADHN O=C(N1CCc2ccncc21)[C@]1(F)CCNC1 ZINC000843495042 588115653 /nfs/dbraw/zinc/11/56/53/588115653.db2.gz OJSVATKNKJXFLW-LBPRGKRZSA-N 0 3 235.262 0.672 20 0 BCADHN CCNCC(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000843491651 588115675 /nfs/dbraw/zinc/11/56/75/588115675.db2.gz HMGFZXHKVNIIIL-JTQLQIEISA-N 0 3 222.292 0.683 20 0 BCADHN CN(C(=O)[C@@]1(F)CCNC1)C(C)(C)C ZINC000843514463 588118258 /nfs/dbraw/zinc/11/82/58/588118258.db2.gz XQHUSKHDOWEVOZ-SNVBAGLBSA-N 0 3 202.273 0.945 20 0 BCADHN CN(CCNC(=O)C1(F)CC1)C1CC1 ZINC000843773832 588139345 /nfs/dbraw/zinc/13/93/45/588139345.db2.gz JXSHQVQLQPHCMX-UHFFFAOYSA-N 0 3 200.257 0.699 20 0 BCADHN CCN1CCN(CCNC(=O)C2(F)CC2)CC1 ZINC000843795921 588140704 /nfs/dbraw/zinc/14/07/04/588140704.db2.gz GDJRJVJRGNFHTA-UHFFFAOYSA-N 0 3 243.326 0.242 20 0 BCADHN CO[C@@H](C)CC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000105325575 588140837 /nfs/dbraw/zinc/14/08/37/588140837.db2.gz XJDTWUBXJQJTGO-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)C2(F)CC2)C1 ZINC000843810743 588142187 /nfs/dbraw/zinc/14/21/87/588142187.db2.gz NGZKGZRDLOMWLO-SECBINFHSA-N 0 3 214.284 0.947 20 0 BCADHN CS[C@@H]1CN(C(=O)C2(F)CC2)C[C@H]1N(C)C ZINC000843842852 588142893 /nfs/dbraw/zinc/14/28/93/588142893.db2.gz MOQQNUSBOATJSL-RKDXNWHRSA-N 0 3 246.351 0.993 20 0 BCADHN COC[C@H]1CCN1C(=O)C1(N(C)C)CCC1 ZINC000843894276 588148250 /nfs/dbraw/zinc/14/82/50/588148250.db2.gz GEBGAENAIGRSRG-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN CCNCC(=O)NCCc1ccc(C)nc1 ZINC000844178721 588171438 /nfs/dbraw/zinc/17/14/38/588171438.db2.gz JFIFASSATYNWLV-UHFFFAOYSA-N 0 3 221.304 0.658 20 0 BCADHN CCNCC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000844174531 588172273 /nfs/dbraw/zinc/17/22/73/588172273.db2.gz JFLQJPUEPSAXIZ-JTQLQIEISA-N 0 3 236.319 0.725 20 0 BCADHN CN(Cc1nnc2ccccn21)C(=O)C(C)(C)N ZINC000844182859 588172292 /nfs/dbraw/zinc/17/22/92/588172292.db2.gz XPFWAXRSGYMHRM-UHFFFAOYSA-N 0 3 247.302 0.425 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)c1cn[nH]c1 ZINC000844190776 588172877 /nfs/dbraw/zinc/17/28/77/588172877.db2.gz OAXTYAKTQCZDAE-ZETCQYMHSA-N 0 3 208.265 0.513 20 0 BCADHN CO[C@H](C)C(=N)NOCc1snnc1C ZINC000844238913 588176827 /nfs/dbraw/zinc/17/68/27/588176827.db2.gz MGPWIGTUJWVYPB-ZCFIWIBFSA-N 0 3 230.293 0.880 20 0 BCADHN CC(C)N(CCO)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844281357 588178015 /nfs/dbraw/zinc/17/80/15/588178015.db2.gz ZSSPKIGGGSBFLK-NSHDSACASA-N 0 3 242.319 0.672 20 0 BCADHN O=C1O[C@@H](CN2CC[C@@H](CO)C2)CN1C1CC1 ZINC000844297557 588181773 /nfs/dbraw/zinc/18/17/73/588181773.db2.gz DHCZDQZXEOUDNS-KOLCDFICSA-N 0 3 240.303 0.284 20 0 BCADHN C[C@H](O)CCN(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844299547 588182404 /nfs/dbraw/zinc/18/24/04/588182404.db2.gz HYRPWPUCSRJZCY-ONGXEEELSA-N 0 3 242.319 0.672 20 0 BCADHN CO[C@@H](C)CN(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844330487 588185572 /nfs/dbraw/zinc/18/55/72/588185572.db2.gz PGRNONARNJLINO-ONGXEEELSA-N 0 3 242.319 0.936 20 0 BCADHN CCC[C@H](C)[C@H](CO)NCCS(C)(=O)=O ZINC000844377716 588188121 /nfs/dbraw/zinc/18/81/21/588188121.db2.gz IGXXHFXFAPYLJL-UWVGGRQHSA-N 0 3 237.365 0.418 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1CCC1OCCCO1 ZINC000844393561 588189469 /nfs/dbraw/zinc/18/94/69/588189469.db2.gz SQIKDDJZAORHMV-WDEREUQCSA-N 0 3 245.319 0.221 20 0 BCADHN CC(=O)CCN1CCC(Cn2cnnc2)CC1 ZINC000844410982 588190955 /nfs/dbraw/zinc/19/09/55/588190955.db2.gz ASBSEEDBXJROLM-UHFFFAOYSA-N 0 3 236.319 0.969 20 0 BCADHN C[C@H](CO)C1CCN(CC[S@@](C)=O)CC1 ZINC000844415190 588191344 /nfs/dbraw/zinc/19/13/44/588191344.db2.gz PELUTYQJEHRXJN-MEBBXXQBSA-N 0 3 233.377 0.705 20 0 BCADHN C[C@@H](CCO)N(C)CC1CCS(=O)(=O)CC1 ZINC000844452971 588195751 /nfs/dbraw/zinc/19/57/51/588195751.db2.gz YBCJDLXBQFPIQX-JTQLQIEISA-N 0 3 249.376 0.514 20 0 BCADHN CN(CCN1CCCCC1)CC1OCCO1 ZINC000844464807 588197194 /nfs/dbraw/zinc/19/71/94/588197194.db2.gz UCZHUWGGPVXULA-UHFFFAOYSA-N 0 3 228.336 0.777 20 0 BCADHN COC/C(C)=C\C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000844558000 588202521 /nfs/dbraw/zinc/20/25/21/588202521.db2.gz ZAXGSMYUJBTBFM-RPGNDLBOSA-N 0 3 238.331 0.742 20 0 BCADHN COC/C(C)=C\C(=O)NC[C@H](C)N(C)C ZINC000845184509 588223230 /nfs/dbraw/zinc/22/32/30/588223230.db2.gz NZTXHKCXXAYNIX-MBACFSSFSA-N 0 3 214.309 0.645 20 0 BCADHN C[C@@H](CNC(=O)c1cnc2cccnn21)N(C)C ZINC000845184571 588223414 /nfs/dbraw/zinc/22/34/14/588223414.db2.gz OPHNWHMSIZUUMV-VIFPVBQESA-N 0 3 247.302 0.409 20 0 BCADHN COC/C(C)=C/C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000845291134 588225972 /nfs/dbraw/zinc/22/59/72/588225972.db2.gz PPAVAQWDZNZHPT-HUYFXPKMSA-N 0 3 238.331 0.932 20 0 BCADHN COCCN(C)CCNC(=O)/C=C(\C)COC ZINC000845395525 588229023 /nfs/dbraw/zinc/22/90/23/588229023.db2.gz LIRVNUPSIMPPDX-PKNBQFBNSA-N 0 3 244.335 0.274 20 0 BCADHN Cc1cc(N(C)[C@H](C)CCO)nc(N)n1 ZINC000845751140 588243607 /nfs/dbraw/zinc/24/36/07/588243607.db2.gz DDRBZIAMVODUKJ-MRVPVSSYSA-N 0 3 210.281 0.574 20 0 BCADHN CCON(C)C(=O)CN[C@H](CC)COC ZINC000846063895 588255094 /nfs/dbraw/zinc/25/50/94/588255094.db2.gz JCFOVBVLEILFNH-SECBINFHSA-N 0 3 218.297 0.411 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000846062165 588255137 /nfs/dbraw/zinc/25/51/37/588255137.db2.gz BNTKIPSYVJIKQM-IVZWLZJFSA-N 0 3 230.308 0.552 20 0 BCADHN CCON(C)C(=O)CNCCSCC ZINC000846064895 588255210 /nfs/dbraw/zinc/25/52/10/588255210.db2.gz NLLULQXOQINVAU-UHFFFAOYSA-N 0 3 220.338 0.739 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CO[C@H](C)C1 ZINC000846064635 588255376 /nfs/dbraw/zinc/25/53/76/588255376.db2.gz SYICMCSPDAZMPJ-BDAKNGLRSA-N 0 3 216.281 0.163 20 0 BCADHN O[C@]1(CCNCc2cnccn2)CCCOC1 ZINC000846106678 588256917 /nfs/dbraw/zinc/25/69/17/588256917.db2.gz DJEQBEYKPVSQSE-LBPRGKRZSA-N 0 3 237.303 0.498 20 0 BCADHN CCN1C[C@@H](CN[C@H](C)c2ncc[nH]2)CC1=O ZINC000846209952 588259997 /nfs/dbraw/zinc/25/99/97/588259997.db2.gz UJTWHEYWZKRBFN-NXEZZACHSA-N 0 3 236.319 0.929 20 0 BCADHN CO[C@@H](C)CC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000846646856 588280614 /nfs/dbraw/zinc/28/06/14/588280614.db2.gz HKECLPOYMXHXPP-VIFPVBQESA-N 0 3 230.308 0.553 20 0 BCADHN O=C([N-]O[C@@H]1CCCCO1)[C@H]1CCC[NH2+]CC1 ZINC000846672938 588281991 /nfs/dbraw/zinc/28/19/91/588281991.db2.gz PSINIDHUDLPPHA-WDEREUQCSA-N 0 3 242.319 0.951 20 0 BCADHN O=C(N1CCOCC12CCC2)[C@]1(F)CCNC1 ZINC000846679350 588282283 /nfs/dbraw/zinc/28/22/83/588282283.db2.gz IXQXWGMTIRAEHC-LBPRGKRZSA-N 0 3 242.294 0.470 20 0 BCADHN C[C@H](N)C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000846683503 588282704 /nfs/dbraw/zinc/28/27/04/588282704.db2.gz HVSQKIQVIRPTSN-OIBJUYFYSA-N 0 3 228.317 0.419 20 0 BCADHN C[C@@](O)(CNC(=O)C1(N)CCC1)c1ccco1 ZINC000846689067 588282780 /nfs/dbraw/zinc/28/27/80/588282780.db2.gz VZBAEAOQXBFYSU-LLVKDONJSA-N 0 3 238.287 0.485 20 0 BCADHN C[C@](O)(CNC(=O)C1(N)CC1)c1ccco1 ZINC000846687139 588282825 /nfs/dbraw/zinc/28/28/25/588282825.db2.gz NIUBNRVFPNIUMO-JTQLQIEISA-N 0 3 224.260 0.095 20 0 BCADHN O=C(N1CCCC(F)(F)C1)[C@]1(F)CCNC1 ZINC000846688559 588282838 /nfs/dbraw/zinc/28/28/38/588282838.db2.gz NRYJFIVXYYJVFU-VIFPVBQESA-N 0 3 236.237 0.946 20 0 BCADHN CC[C@H](NC(=O)[C@]1(F)CCNC1)[C@H]1CCCO1 ZINC000846684964 588282891 /nfs/dbraw/zinc/28/28/91/588282891.db2.gz WKBJXPCSIDHFNI-UMNHJUIQSA-N 0 3 244.310 0.762 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000846687750 588282963 /nfs/dbraw/zinc/28/29/63/588282963.db2.gz FXTDVAOSINUPAE-DTWKUNHWSA-N 0 3 247.298 0.952 20 0 BCADHN C[C@@H](CO)C1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000846697361 588283292 /nfs/dbraw/zinc/28/32/92/588283292.db2.gz OSTCZQFFSAMFKK-GDPRMGEGSA-N 0 3 226.320 0.201 20 0 BCADHN O=C1C[C@@H](N2CCC3(CCCC3)C2)C(=O)N1 ZINC000846701516 588283417 /nfs/dbraw/zinc/28/34/17/588283417.db2.gz BTJNUAFTUZDTJZ-SECBINFHSA-N 0 3 222.288 0.668 20 0 BCADHN CCN1C[C@H](CN2CC[C@@H](COC)C2)OC1=O ZINC000846808079 588289831 /nfs/dbraw/zinc/28/98/31/588289831.db2.gz VHWKJHKCZLFJMU-MNOVXSKESA-N 0 3 242.319 0.795 20 0 BCADHN CCCNC(=O)CCCN1C[C@@H]2C[C@]2(CO)C1 ZINC000846866445 588294139 /nfs/dbraw/zinc/29/41/39/588294139.db2.gz HDKFUXRTYFQJEB-WCQYABFASA-N 0 3 240.347 0.607 20 0 BCADHN CN1CCN(CCN2CCOC2=O)CC1(C)C ZINC000846889337 588295439 /nfs/dbraw/zinc/29/54/39/588295439.db2.gz CLYSBGGFGLCONR-UHFFFAOYSA-N 0 3 241.335 0.465 20 0 BCADHN CCN1C[C@@H](CN(C)[C@H]2CCCOC2)OC1=O ZINC000846902407 588296334 /nfs/dbraw/zinc/29/63/34/588296334.db2.gz SHBGWZUCKDODOC-WDEREUQCSA-N 0 3 242.319 0.938 20 0 BCADHN CC[C@H](CO)C(=O)N1CCCN(C)C[C@@H]1CC ZINC000846988565 588300735 /nfs/dbraw/zinc/30/07/35/588300735.db2.gz MTIFYQPVHPMBME-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN OC[C@H]1CN(Cc2ccc3nonc3c2)C[C@@H]1O ZINC000846990500 588300748 /nfs/dbraw/zinc/30/07/48/588300748.db2.gz JAWAZLUTKLPWHF-SKDRFNHKSA-N 0 3 249.270 0.008 20 0 BCADHN CCN1C[C@@H](CN(C)[C@@H](C)CCO)OC1=O ZINC000847015906 588301732 /nfs/dbraw/zinc/30/17/32/588301732.db2.gz YKZQMFHADRIBHY-VHSXEESVSA-N 0 3 230.308 0.530 20 0 BCADHN NC(=O)[C@]1(NCCCCCCCO)CCOC1 ZINC000847054359 588304258 /nfs/dbraw/zinc/30/42/58/588304258.db2.gz VATYQCMHVGPCPP-LBPRGKRZSA-N 0 3 244.335 0.163 20 0 BCADHN C[C@H](O)CN(C[C@@H]1CC2(CC2)C(=O)O1)C1CC1 ZINC000847104814 588306241 /nfs/dbraw/zinc/30/62/41/588306241.db2.gz KAUYSFWPJXJHKV-ONGXEEELSA-N 0 3 239.315 0.927 20 0 BCADHN CCO/C=C\C(=O)NCCN1CCCC1 ZINC000847300972 588310545 /nfs/dbraw/zinc/31/05/45/588310545.db2.gz OPWIYIKQLRJPRV-YHYXMXQVSA-N 0 3 212.293 0.749 20 0 BCADHN CCCOC(=O)CCNC(=O)CN(C)C(C)C ZINC000106834644 588312471 /nfs/dbraw/zinc/31/24/71/588312471.db2.gz XFCRNBXNRIRVBQ-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCCN(C)C1 ZINC000847447642 588313697 /nfs/dbraw/zinc/31/36/97/588313697.db2.gz FZMVHWDLDKVHKP-QMMMGPOBSA-N 0 3 238.291 0.248 20 0 BCADHN CN(C)CCN(C)C(=O)c1c(F)ccnc1F ZINC000847544003 588316154 /nfs/dbraw/zinc/31/61/54/588316154.db2.gz SUVRTVXWJKQVHI-UHFFFAOYSA-N 0 3 243.257 0.993 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C(=O)O1 ZINC000848072186 588353476 /nfs/dbraw/zinc/35/34/76/588353476.db2.gz COQDVFNLKLPRGX-IUCAKERBSA-N 0 3 240.303 0.291 20 0 BCADHN CC[C@@H](C(=O)NCCCOCOC)N(C)C ZINC000848169961 588364460 /nfs/dbraw/zinc/36/44/60/588364460.db2.gz XKGJMNYJVWZIPS-JTQLQIEISA-N 0 3 232.324 0.453 20 0 BCADHN CCC/C=C/C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848307989 588371552 /nfs/dbraw/zinc/37/15/52/588371552.db2.gz VRYCGIOPLLKWHH-RUULKOMLSA-N 0 3 238.331 0.620 20 0 BCADHN CC/C(C)=C/C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848307260 588371689 /nfs/dbraw/zinc/37/16/89/588371689.db2.gz SPGDARAEQLGDTG-RBWIOGKGSA-N 0 3 238.331 0.620 20 0 BCADHN CN[C@@H](C)C(=O)NCCCCCCC(=O)OC ZINC000848396867 588377667 /nfs/dbraw/zinc/37/76/67/588377667.db2.gz WVDDISFAAHLDRU-JTQLQIEISA-N 0 3 244.335 0.834 20 0 BCADHN CCOC(=O)[C@H](CC1CC1)NC(=O)[C@H](C)NC ZINC000848406672 588378474 /nfs/dbraw/zinc/37/84/74/588378474.db2.gz PXIZBGNAUZKHNU-WPRPVWTQSA-N 0 3 242.319 0.442 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000848408149 588378991 /nfs/dbraw/zinc/37/89/91/588378991.db2.gz FZEWVCPQJAEGFE-QMMMGPOBSA-N 0 3 246.274 0.209 20 0 BCADHN CS/C=C/C(=O)N[C@@H](CN)C(F)(F)F ZINC000848438352 588385082 /nfs/dbraw/zinc/38/50/82/588385082.db2.gz IWVZMHSEXIHMCL-HRJJCQLASA-N 0 3 228.239 0.869 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cnn(C(F)F)c1 ZINC000848427722 588382263 /nfs/dbraw/zinc/38/22/63/588382263.db2.gz QBDCIKMYHXCFSN-YFKPBYRVSA-N 0 3 218.207 0.825 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@](C)(O)c1ccco1 ZINC000848430609 588384116 /nfs/dbraw/zinc/38/41/16/588384116.db2.gz NJPAFRJNLXTBNH-KWQFWETISA-N 0 3 226.276 0.211 20 0 BCADHN O=C(OCCCF)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848485964 588387218 /nfs/dbraw/zinc/38/72/18/588387218.db2.gz BQZQVMCSIBJHDN-VHSXEESVSA-N 0 3 246.282 0.233 20 0 BCADHN CNC(=O)CCCNCc1cnc(Cl)n1C ZINC000848531438 588392886 /nfs/dbraw/zinc/39/28/86/588392886.db2.gz OKOPBFJUJZZENV-UHFFFAOYSA-N 0 3 244.726 0.689 20 0 BCADHN Cn1c(Cl)ncc1CNCCC[S@](C)=O ZINC000848537665 588394502 /nfs/dbraw/zinc/39/45/02/588394502.db2.gz LEQBPBCHSCMEDA-HNNXBMFYSA-N 0 3 249.767 0.932 20 0 BCADHN COCC[C@@H](CO)NCc1cnc(Cl)n1C ZINC000848551141 588396480 /nfs/dbraw/zinc/39/64/80/588396480.db2.gz DXIDUIKZHLCROY-QMMMGPOBSA-N 0 3 247.726 0.561 20 0 BCADHN CO[C@@](C)(CO)CN[C@H](C)c1cc(C)nn1C ZINC000848556418 588396950 /nfs/dbraw/zinc/39/69/50/588396950.db2.gz XIXVESIAOBBLPN-ZYHUDNBSSA-N 0 3 241.335 0.777 20 0 BCADHN CO[C@](C)(CO)CNCc1ccc(F)nc1 ZINC000848560993 588397825 /nfs/dbraw/zinc/39/78/25/588397825.db2.gz UFJFMHXVMTVIPF-NSHDSACASA-N 0 3 228.267 0.708 20 0 BCADHN C[C@@H](N[C@@H]1CCc2c(nnn2C)C1)c1ncc[nH]1 ZINC000848562432 588397839 /nfs/dbraw/zinc/39/78/39/588397839.db2.gz DGRWWWCZNBJBSV-RKDXNWHRSA-N 0 3 246.318 0.746 20 0 BCADHN C[C@H](N[C@H]1CCc2c(nnn2C)C1)c1ncc[nH]1 ZINC000848562430 588397851 /nfs/dbraw/zinc/39/78/51/588397851.db2.gz DGRWWWCZNBJBSV-IUCAKERBSA-N 0 3 246.318 0.746 20 0 BCADHN CCOC[C@H](C)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848573255 588398966 /nfs/dbraw/zinc/39/89/66/588398966.db2.gz YTTTVCGGMUYXAJ-ONGXEEELSA-N 0 3 242.319 0.984 20 0 BCADHN Cn1ncc(CN[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000848575361 588399193 /nfs/dbraw/zinc/39/91/93/588399193.db2.gz PDWPMQAURUCYJA-QWHCGFSZSA-N 0 3 249.362 0.922 20 0 BCADHN COC(=O)/C=C/c1ccc(CNC[C@H](C)O)o1 ZINC000848898548 588417549 /nfs/dbraw/zinc/41/75/49/588417549.db2.gz DYXPPZSYCIMEDN-CYNONHLPSA-N 0 3 239.271 0.936 20 0 BCADHN C=CC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000848979488 588423313 /nfs/dbraw/zinc/42/33/13/588423313.db2.gz XHCHDMZCMXBFON-LLVKDONJSA-N 0 3 226.320 0.742 20 0 BCADHN [NH2+]=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCC1 ZINC000849020186 588438639 /nfs/dbraw/zinc/43/86/39/588438639.db2.gz UXYGRTVRCJEMLU-UHFFFAOYSA-N 0 3 248.212 0.554 20 0 BCADHN [NH2+]=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC1 ZINC000849020186 588438640 /nfs/dbraw/zinc/43/86/40/588438640.db2.gz UXYGRTVRCJEMLU-UHFFFAOYSA-N 0 3 248.212 0.554 20 0 BCADHN CN(C)CCn1cc(-c2ccn(C)n2)nn1 ZINC000849136121 588453981 /nfs/dbraw/zinc/45/39/81/588453981.db2.gz BHDULMHAOWAPAA-UHFFFAOYSA-N 0 3 220.280 0.240 20 0 BCADHN CCOC(=O)[C@@H](C)n1cc([C@H](C)N)nn1 ZINC000849144216 588454928 /nfs/dbraw/zinc/45/49/28/588454928.db2.gz VTMZNBMSCWTENJ-NKWVEPMBSA-N 0 3 212.253 0.422 20 0 BCADHN O=c1c2ccoc2ccn1C[C@H]1CNCCO1 ZINC000849240911 588464420 /nfs/dbraw/zinc/46/44/20/588464420.db2.gz YLVSCNCXKAGHFR-SECBINFHSA-N 0 3 234.255 0.583 20 0 BCADHN O=c1c2ccoc2ccn1C[C@@H]1CNCCO1 ZINC000849240912 588464478 /nfs/dbraw/zinc/46/44/78/588464478.db2.gz YLVSCNCXKAGHFR-VIFPVBQESA-N 0 3 234.255 0.583 20 0 BCADHN CN(C)CCNC(=S)N[C@@H]1COC(C)(C)C1 ZINC000849267871 588468208 /nfs/dbraw/zinc/46/82/08/588468208.db2.gz HUUCCBDYBLLIOZ-VIFPVBQESA-N 0 3 245.392 0.580 20 0 BCADHN CN(C)CCNC(=S)N[C@H]1COC(C)(C)C1 ZINC000849267870 588468287 /nfs/dbraw/zinc/46/82/87/588468287.db2.gz HUUCCBDYBLLIOZ-SECBINFHSA-N 0 3 245.392 0.580 20 0 BCADHN CCn1ccc(NC(=S)NCCN(C)C)n1 ZINC000849286363 588470230 /nfs/dbraw/zinc/47/02/30/588470230.db2.gz XIENCYCADCIDFM-UHFFFAOYSA-N 0 3 241.364 0.751 20 0 BCADHN CC(C)=CCCN1C(C)C(=O)N(C)S1(=O)=O ZINC000849895118 588508449 /nfs/dbraw/zinc/50/84/49/588508449.db2.gz GVXJKSDEQUQWKX-VIFPVBQESA-N 0 3 246.332 0.750 20 0 BCADHN Cc1c[nH]c(CNCCCN2CCOC2=O)n1 ZINC000850117532 588521036 /nfs/dbraw/zinc/52/10/36/588521036.db2.gz GHALOYSTPSEVTI-UHFFFAOYSA-N 0 3 238.291 0.650 20 0 BCADHN CC[C@H]1C[C@@H](NC2CN(C(=O)OC)C2)CO1 ZINC000850198627 588527171 /nfs/dbraw/zinc/52/71/71/588527171.db2.gz KPFMHFRMQFAEIR-SCZZXKLOSA-N 0 3 228.292 0.594 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CO[C@H](CC)C1 ZINC000850338037 588537213 /nfs/dbraw/zinc/53/72/13/588537213.db2.gz DCIBSMBXFWDKDK-VHSXEESVSA-N 0 3 230.308 0.553 20 0 BCADHN CCc1cc(CN[C@H](C)Cn2cncn2)n[nH]1 ZINC000850435082 588546155 /nfs/dbraw/zinc/54/61/55/588546155.db2.gz HPTSTIAJUSMOHT-SECBINFHSA-N 0 3 234.307 0.742 20 0 BCADHN CCc1cc(CN[C@H](C)Cn2cncn2)[nH]n1 ZINC000850435082 588546156 /nfs/dbraw/zinc/54/61/56/588546156.db2.gz HPTSTIAJUSMOHT-SECBINFHSA-N 0 3 234.307 0.742 20 0 BCADHN CON(C)CCN[C@H](C)c1ccnn1C ZINC000850479187 588548670 /nfs/dbraw/zinc/54/86/70/588548670.db2.gz NCVGAFYWBWDSNR-SECBINFHSA-N 0 3 212.297 0.564 20 0 BCADHN CC1(C)C[C@@H](NCCS(=O)(=O)C2CC2)CO1 ZINC000850474305 588549495 /nfs/dbraw/zinc/54/94/95/588549495.db2.gz LTARBLXVTKHHSH-SECBINFHSA-N 0 3 247.360 0.721 20 0 BCADHN CON(C)CCN[C@@H]1CCCc2nn(C)cc21 ZINC000850476794 588549510 /nfs/dbraw/zinc/54/95/10/588549510.db2.gz AJDXEAIQFVXNEF-LLVKDONJSA-N 0 3 238.335 0.880 20 0 BCADHN C[C@H](CCO)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000850502014 588552791 /nfs/dbraw/zinc/55/27/91/588552791.db2.gz RGHXIERJYODWNJ-PWSUYJOCSA-N 0 3 248.326 0.935 20 0 BCADHN CN(CC(=O)NC1CCN(C)CC1)C1CC1 ZINC000109813208 588595967 /nfs/dbraw/zinc/59/59/67/588595967.db2.gz JZNYAFNDXHLFFP-UHFFFAOYSA-N 0 3 225.336 0.291 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000851644804 588611692 /nfs/dbraw/zinc/61/16/92/588611692.db2.gz XLJNYEJTCYOWQK-ORMBPQIASA-N 0 3 208.305 0.886 20 0 BCADHN CCc1cc(NC(=O)CNC(C)C)nn1C ZINC000851641183 588612658 /nfs/dbraw/zinc/61/26/58/588612658.db2.gz KZSLEXSDMIGNAR-UHFFFAOYSA-N 0 3 224.308 0.919 20 0 BCADHN CCNCC(=O)NC1(COC)CCCC1 ZINC000851639792 588612665 /nfs/dbraw/zinc/61/26/65/588612665.db2.gz LUYAWXNMVVTTJH-UHFFFAOYSA-N 0 3 214.309 0.671 20 0 BCADHN C[C@]1(CCNC(=O)[C@@H]2C[C@@H]2N)CC1(F)F ZINC000851644392 588612696 /nfs/dbraw/zinc/61/26/96/588612696.db2.gz POGUBZBSLUFRCF-FJXKBIBVSA-N 0 3 218.247 0.885 20 0 BCADHN CCNCC(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000851645101 588612698 /nfs/dbraw/zinc/61/26/98/588612698.db2.gz GBPZWHXTOYZVMN-GXSJLCMTSA-N 0 3 212.293 0.091 20 0 BCADHN CCNCC(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000851644306 588612702 /nfs/dbraw/zinc/61/27/02/588612702.db2.gz NXHRXEXHEZNXIU-SCZZXKLOSA-N 0 3 248.273 0.526 20 0 BCADHN CCNCC(=O)NCCc1cncc(C)n1 ZINC000851645259 588612755 /nfs/dbraw/zinc/61/27/55/588612755.db2.gz AZHWHQFIDDKIKO-UHFFFAOYSA-N 0 3 222.292 0.053 20 0 BCADHN C[C@H]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2N)O1 ZINC000851644794 588612855 /nfs/dbraw/zinc/61/28/55/588612855.db2.gz XJVKFQJIOGGOHV-JLIMGVALSA-N 0 3 212.293 0.407 20 0 BCADHN O=C(CNC[C@H]1CCCO1)N[C@@H]1C=CCC1 ZINC000851641801 588612900 /nfs/dbraw/zinc/61/29/00/588612900.db2.gz MZIIOBDSLOYYMK-GHMZBOCLSA-N 0 3 224.304 0.590 20 0 BCADHN CCNCC(=O)N[C@@H](CC)COCC1CC1 ZINC000851642409 588612942 /nfs/dbraw/zinc/61/29/42/588612942.db2.gz ZWBYCGUYMPRXQA-NSHDSACASA-N 0 3 228.336 0.917 20 0 BCADHN COc1ccc2c(c1)CCN(C(=O)[C@@H]1C[C@@H]1N)C2 ZINC000851646051 588612960 /nfs/dbraw/zinc/61/29/60/588612960.db2.gz UQAYINWGIGTNHI-OLZOCXBDSA-N 0 3 246.310 0.927 20 0 BCADHN CC1(C)[C@@H](CNC(=O)[C@@H]2C[C@@H]2N)C1(F)F ZINC000851647967 588613117 /nfs/dbraw/zinc/61/31/17/588613117.db2.gz QUWPYRKIHQUUAX-DSYKOEDSSA-N 0 3 218.247 0.741 20 0 BCADHN Nc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000851648333 588613177 /nfs/dbraw/zinc/61/31/77/588613177.db2.gz CLNRILNAIXPAOL-GHMZBOCLSA-N 0 3 237.278 0.780 20 0 BCADHN CS/C=C/C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851648366 588613232 /nfs/dbraw/zinc/61/32/32/588613232.db2.gz DJBMZKZIRSETLB-LFHXBRCSSA-N 0 3 218.297 0.761 20 0 BCADHN NC(=O)[C@@](O)(CN1CCCCC1)c1ccccc1 ZINC000851722016 588617527 /nfs/dbraw/zinc/61/75/27/588617527.db2.gz IRHQUFFEOBMPLV-CQSZACIVSA-N 0 3 248.326 0.845 20 0 BCADHN COCCN1CCN([C@@H]2CC[C@@H](OC)C2)CC1 ZINC000851724581 588617770 /nfs/dbraw/zinc/61/77/70/588617770.db2.gz AUQMIPIOPAFZBH-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN OC[C@@H]1CCCCN1CCc1cn[nH]n1 ZINC000851728472 588618520 /nfs/dbraw/zinc/61/85/20/588618520.db2.gz BJVNAOWSYXKXAU-JTQLQIEISA-N 0 3 210.281 0.194 20 0 BCADHN OC[C@H]1CCCCN1CCc1cn[nH]n1 ZINC000851728479 588618671 /nfs/dbraw/zinc/61/86/71/588618671.db2.gz BJVNAOWSYXKXAU-SNVBAGLBSA-N 0 3 210.281 0.194 20 0 BCADHN COC(=O)[C@H](C)CN(C)C[C@@H]1CCC(=O)O1 ZINC000851728242 588618715 /nfs/dbraw/zinc/61/87/15/588618715.db2.gz JPZYOTXFNIEEKD-BDAKNGLRSA-N 0 3 229.276 0.433 20 0 BCADHN CCNC(=O)CN(C)[C@H]1CC[C@@H](OC)C1 ZINC000851731571 588619358 /nfs/dbraw/zinc/61/93/58/588619358.db2.gz UORZXZXFYRBYAM-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CCN(CC(=O)NC)[C@@H]1CC[C@H](OC)C1 ZINC000851732985 588619961 /nfs/dbraw/zinc/61/99/61/588619961.db2.gz GHMDYKUKYHPIJG-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)N(CCO)C[C@@H]1COC(C)(C)O1 ZINC000851733916 588619967 /nfs/dbraw/zinc/61/99/67/588619967.db2.gz JPQNPHJKPNTWLD-SNVBAGLBSA-N 0 3 217.309 0.841 20 0 BCADHN CCN1CCCN(C[C@H]2CCC(=O)O2)CC1 ZINC000851745793 588621663 /nfs/dbraw/zinc/62/16/63/588621663.db2.gz CKDQJZUDRCNNAQ-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN CCN1CCCN(C[C@@H]2CCC(=O)O2)CC1 ZINC000851745794 588621898 /nfs/dbraw/zinc/62/18/98/588621898.db2.gz CKDQJZUDRCNNAQ-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN CCOC(=O)CCN(C)C[C@H]1CCC(=O)O1 ZINC000851747470 588622095 /nfs/dbraw/zinc/62/20/95/588622095.db2.gz UKWMVZHDHPGIQQ-SECBINFHSA-N 0 3 229.276 0.577 20 0 BCADHN CO[C@H]1CC[C@H](N2CCCNC(=O)C2)C1 ZINC000851747149 588622298 /nfs/dbraw/zinc/62/22/98/588622298.db2.gz QQFKZNLVQHZMJQ-UWVGGRQHSA-N 0 3 212.293 0.376 20 0 BCADHN CNC(=O)CCN(C)C[C@H]1COC(C)(C)O1 ZINC000851749243 588622600 /nfs/dbraw/zinc/62/26/00/588622600.db2.gz WHPONEQXHAJEKL-VIFPVBQESA-N 0 3 230.308 0.206 20 0 BCADHN NC(=O)CN(CCOC(F)F)C1CCCC1 ZINC000851751263 588623000 /nfs/dbraw/zinc/62/30/00/588623000.db2.gz LTVRCMGECFKVRE-UHFFFAOYSA-N 0 3 236.262 0.956 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCN(C[C@H](C)O)CC2)C1 ZINC000851750850 588623173 /nfs/dbraw/zinc/62/31/73/588623173.db2.gz LAZAZBLDBGKNNM-RWMBFGLXSA-N 0 3 242.363 0.552 20 0 BCADHN O=C1CC[C@H](CN2CCC[C@@H](CCO)C2)O1 ZINC000851752293 588623856 /nfs/dbraw/zinc/62/38/56/588623856.db2.gz FXIIUCUMCVQMPT-WDEREUQCSA-N 0 3 227.304 0.786 20 0 BCADHN O=C1CC[C@@H](CN(CCCO)C2CC2)O1 ZINC000851776268 588624966 /nfs/dbraw/zinc/62/49/66/588624966.db2.gz LZOFGOVWBFBVRM-JTQLQIEISA-N 0 3 213.277 0.539 20 0 BCADHN C[C@@H](O)CN(C)C[C@H](O)c1ccccn1 ZINC000851784483 588628330 /nfs/dbraw/zinc/62/83/30/588628330.db2.gz UOFZINZFITXNAU-KOLCDFICSA-N 0 3 210.277 0.428 20 0 BCADHN CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCC1 ZINC000851785313 588628561 /nfs/dbraw/zinc/62/85/61/588628561.db2.gz PLBZANFWECANFO-AWEZNQCLSA-N 0 3 248.326 0.844 20 0 BCADHN CN(C[C@@H](O)C1CC1)C[C@H]1COC(C)(C)O1 ZINC000851802894 588630532 /nfs/dbraw/zinc/63/05/32/588630532.db2.gz MPELHGGYEYIVQT-WDEREUQCSA-N 0 3 229.320 0.841 20 0 BCADHN CO[C@@H]1CCN(CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000851800891 588630770 /nfs/dbraw/zinc/63/07/70/588630770.db2.gz VCJOLVVALIUBDR-FRRDWIJNSA-N 0 3 242.363 0.816 20 0 BCADHN CN(CCOC(F)F)C[C@H](O)C1CC1 ZINC000851803374 588631138 /nfs/dbraw/zinc/63/11/38/588631138.db2.gz RUOBKEZZHMEBPR-QMMMGPOBSA-N 0 3 209.236 0.928 20 0 BCADHN COC(CCN1CCC2(C1)OCCO2)OC ZINC000851839173 588634428 /nfs/dbraw/zinc/63/44/28/588634428.db2.gz HLCHLRWCFXREPO-UHFFFAOYSA-N 0 3 231.292 0.444 20 0 BCADHN CNC(=O)C1(NCCOC(F)F)CCCC1 ZINC000851843622 588634580 /nfs/dbraw/zinc/63/45/80/588634580.db2.gz HCINTAHIWJKGIT-UHFFFAOYSA-N 0 3 236.262 0.874 20 0 BCADHN CC(C)(C)[C@H](NC[C@H]1CCC(=O)O1)C(N)=O ZINC000851851856 588635127 /nfs/dbraw/zinc/63/51/27/588635127.db2.gz VJDHRESXNGPQGY-VXNVDRBHSA-N 0 3 228.292 0.182 20 0 BCADHN CC(C)(C)[C@H](NC[C@H]1COC(C)(C)O1)C(N)=O ZINC000851851409 588635179 /nfs/dbraw/zinc/63/51/79/588635179.db2.gz NPBIFMGVPZEACH-DTWKUNHWSA-N 0 3 244.335 0.628 20 0 BCADHN C[C@H]1COCCN(C[C@@H]2CCC(=O)O2)C1 ZINC000851866211 588636031 /nfs/dbraw/zinc/63/60/31/588636031.db2.gz LHOHNFGNXRESRY-ZJUUUORDSA-N 0 3 213.277 0.660 20 0 BCADHN CCN1CCN(C[C@H]2CCC(=O)O2)C[C@@H]1C ZINC000851866829 588636386 /nfs/dbraw/zinc/63/63/86/588636386.db2.gz XBCYXKHJZMWIJX-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@H]1COCCN(C[C@H]2CCC(=O)O2)C1 ZINC000851866208 588636490 /nfs/dbraw/zinc/63/64/90/588636490.db2.gz LHOHNFGNXRESRY-NXEZZACHSA-N 0 3 213.277 0.660 20 0 BCADHN COC[C@H](CN1CCOC[C@@H](C)C1)OC ZINC000851865810 588636523 /nfs/dbraw/zinc/63/65/23/588636523.db2.gz IHTQWENRSNNDFD-QWRGUYRKSA-N 0 3 217.309 0.616 20 0 BCADHN CO[C@@H]1CC[C@H](N(C)[C@@H]2CCNC2=O)C1 ZINC000851870230 588637169 /nfs/dbraw/zinc/63/71/69/588637169.db2.gz AZRJCKLRADJJNF-IVZWLZJFSA-N 0 3 212.293 0.374 20 0 BCADHN Cn1ccnc1[C@@H]1CCN(C[C@H]2CCC(=O)O2)C1 ZINC000851868825 588637259 /nfs/dbraw/zinc/63/72/59/588637259.db2.gz VRVVQUIHPBOYIE-GHMZBOCLSA-N 0 3 249.314 0.915 20 0 BCADHN C[C@@H]1CN(C[C@@H]2COC(C)(C)O2)CCN1C ZINC000851877750 588638424 /nfs/dbraw/zinc/63/84/24/588638424.db2.gz QKKZQVHIXBJPNS-GHMZBOCLSA-N 0 3 228.336 0.774 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C[C@@H]1COC(C)(C)O1 ZINC000851882138 588639332 /nfs/dbraw/zinc/63/93/32/588639332.db2.gz SWTUURXEJKIVRV-KXUCPTDWSA-N 0 3 215.293 0.593 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CCN3C(=O)CC[C@@H]3C2)C1 ZINC000851883744 588639646 /nfs/dbraw/zinc/63/96/46/588639646.db2.gz JAHRWAGMQDPBIQ-IJLUTSLNSA-N 0 3 238.331 0.861 20 0 BCADHN COC(CCN(C)CCNC(=O)C(C)C)OC ZINC000851885043 588640143 /nfs/dbraw/zinc/64/01/43/588640143.db2.gz DJCXFTOWDJXDGW-UHFFFAOYSA-N 0 3 246.351 0.699 20 0 BCADHN C[C@@H]1CN(C[C@@H]2COC(C)(C)O2)C[C@@H]1O ZINC000851885767 588640219 /nfs/dbraw/zinc/64/02/19/588640219.db2.gz LIJALOMZIPIDMP-BBBLOLIVSA-N 0 3 215.293 0.451 20 0 BCADHN CN(C)C(=O)NCCN(C)CCOC(F)F ZINC000851886611 588640648 /nfs/dbraw/zinc/64/06/48/588640648.db2.gz IXJIENPIHGBOBF-UHFFFAOYSA-N 0 3 239.266 0.429 20 0 BCADHN CN(CCc1cnccn1)C[C@H]1CCC(=O)O1 ZINC000851890500 588641179 /nfs/dbraw/zinc/64/11/79/588641179.db2.gz ZMMSKCJWLFUXNT-LLVKDONJSA-N 0 3 235.287 0.657 20 0 BCADHN NC(=O)[C@](O)(CN1CC=CCC1)c1ccccc1 ZINC000851909579 588642585 /nfs/dbraw/zinc/64/25/85/588642585.db2.gz GMOKXJLOPWYHDR-AWEZNQCLSA-N 0 3 246.310 0.621 20 0 BCADHN C[C@H](O)[C@@H]1CCN(C[C@H](O)c2ccccn2)C1 ZINC000851912897 588643150 /nfs/dbraw/zinc/64/31/50/588643150.db2.gz PFUKVQDLZHQHCS-LOWVWBTDSA-N 0 3 236.315 0.818 20 0 BCADHN CN(C[C@H]1COC(C)(C)O1)C1CC(O)C1 ZINC000851934711 588645505 /nfs/dbraw/zinc/64/55/05/588645505.db2.gz NTDKPUXAUKIUNQ-RTBKNWGFSA-N 0 3 215.293 0.593 20 0 BCADHN CO[C@@H]1CC[C@@H](N[C@H](CO)c2cnn(C)c2)C1 ZINC000851933648 588645525 /nfs/dbraw/zinc/64/55/25/588645525.db2.gz SPUPEOUUFRPAPR-IJLUTSLNSA-N 0 3 239.319 0.611 20 0 BCADHN CC1(CO)CCN(C[C@H]2CCC(=O)O2)CC1 ZINC000851938406 588646345 /nfs/dbraw/zinc/64/63/45/588646345.db2.gz OZGDBZLEJHIUBG-SNVBAGLBSA-N 0 3 227.304 0.786 20 0 BCADHN COCC1=CCN(C[C@@H]2CCC(=O)O2)CC1 ZINC000851949140 588647058 /nfs/dbraw/zinc/64/70/58/588647058.db2.gz AOVRZEQENFOIBU-NSHDSACASA-N 0 3 225.288 0.971 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CCN(CCO)[C@@H](C)C2)C1 ZINC000851957787 588647851 /nfs/dbraw/zinc/64/78/51/588647851.db2.gz SPCSJNLNHHMQJB-YNEHKIRRSA-N 0 3 242.363 0.552 20 0 BCADHN COCCO[C@H]1CCN(C[C@H]2CCC(=O)O2)C1 ZINC000851965887 588648302 /nfs/dbraw/zinc/64/83/02/588648302.db2.gz WTIRPLKRCXFFFO-WDEREUQCSA-N 0 3 243.303 0.429 20 0 BCADHN COCCCN(CCO)CCOC(F)F ZINC000851967395 588648916 /nfs/dbraw/zinc/64/89/16/588648916.db2.gz ASRLNZNECBXUSW-UHFFFAOYSA-N 0 3 227.251 0.556 20 0 BCADHN C[C@H](O)CN(CCOC(F)F)[C@@H](C)CO ZINC000851973092 588650089 /nfs/dbraw/zinc/65/00/89/588650089.db2.gz VIVAWYZJRUUHLR-YUMQZZPRSA-N 0 3 227.251 0.289 20 0 BCADHN COCC[C@]1(NC[C@H]2CCC(=O)O2)CCOC1 ZINC000851991759 588652975 /nfs/dbraw/zinc/65/29/75/588652975.db2.gz DHOLURDKNZNEOW-PWSUYJOCSA-N 0 3 243.303 0.477 20 0 BCADHN C[C@@H]1OCC[C@H]1N(CCO)C[C@H]1CCC(=O)O1 ZINC000852002946 588654254 /nfs/dbraw/zinc/65/42/54/588654254.db2.gz GGEKZFNZWVAGQD-HBNTYKKESA-N 0 3 243.303 0.164 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(CCOC(F)F)C1 ZINC000852006876 588654661 /nfs/dbraw/zinc/65/46/61/588654661.db2.gz UMOBSPLGLPGTPD-JTQLQIEISA-N 0 3 236.262 0.684 20 0 BCADHN CC(C)[C@](C)(NC[C@H]1CCC(=O)O1)C(N)=O ZINC000852040307 588657227 /nfs/dbraw/zinc/65/72/27/588657227.db2.gz JSAPQOKDVZOWRL-KCJUWKMLSA-N 0 3 228.292 0.182 20 0 BCADHN CC(C)[C@H](O)CN1CCCN(C=O)CC1 ZINC000852072641 588659371 /nfs/dbraw/zinc/65/93/71/588659371.db2.gz FSLZANWMLQVJCY-LLVKDONJSA-N 0 3 214.309 0.167 20 0 BCADHN CCCN(CC[C@@H]1COC(C)(C)O1)CC(N)=O ZINC000852080287 588660685 /nfs/dbraw/zinc/66/06/85/588660685.db2.gz WKHAVAQWEGUNNB-SNVBAGLBSA-N 0 3 244.335 0.725 20 0 BCADHN CN(C[C@@H]1CCC(=O)O1)[C@@H]1CCC(=O)N(C)C1 ZINC000852086506 588660948 /nfs/dbraw/zinc/66/09/48/588660948.db2.gz RTPLFFHUPYYKLH-ZJUUUORDSA-N 0 3 240.303 0.245 20 0 BCADHN C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)[C@H]1C ZINC000852092312 588661244 /nfs/dbraw/zinc/66/12/44/588661244.db2.gz SUTRTPNKNNTIFG-SUNKGSAMSA-N 0 3 248.326 0.700 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@H]1CCC(=O)O1 ZINC000852093363 588661259 /nfs/dbraw/zinc/66/12/59/588661259.db2.gz IROBBHVQGSNBLH-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@H]1CN(Cc2cnon2)CCN(C2CC2)C1 ZINC000852093792 588661365 /nfs/dbraw/zinc/66/13/65/588661365.db2.gz CWXAAJSYICSKST-JTQLQIEISA-N 0 3 236.319 0.986 20 0 BCADHN C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)[C@H]1C ZINC000852092314 588661536 /nfs/dbraw/zinc/66/15/36/588661536.db2.gz SUTRTPNKNNTIFG-UHIISALHSA-N 0 3 248.326 0.700 20 0 BCADHN COC(CCN(C)C(C)(C)C(N)=O)OC ZINC000852096520 588661674 /nfs/dbraw/zinc/66/16/74/588661674.db2.gz LHNDKOAQDDSFLO-UHFFFAOYSA-N 0 3 218.297 0.191 20 0 BCADHN C[C@@]1(F)CCCN(C[C@@H]2CNC(=O)C2)C1 ZINC000852097485 588662557 /nfs/dbraw/zinc/66/25/57/588662557.db2.gz XEQBNFQFKFEOSN-GXSJLCMTSA-N 0 3 214.284 0.947 20 0 BCADHN COC[C@@H](CN1CC[C@](O)(C(F)F)C1)OC ZINC000852121522 588664981 /nfs/dbraw/zinc/66/49/81/588664981.db2.gz TXRPUWPWUQRUEW-PSASIEDQSA-N 0 3 239.262 0.350 20 0 BCADHN COC(CCN1CC[C@@](O)(C(F)F)C1)OC ZINC000852122720 588665544 /nfs/dbraw/zinc/66/55/44/588665544.db2.gz HGBUJBOYCFIMDC-JTQLQIEISA-N 0 3 239.262 0.697 20 0 BCADHN CC1(C)OC[C@H](CCN2CCC[C@@H]2C(N)=O)O1 ZINC000852139135 588666429 /nfs/dbraw/zinc/66/64/29/588666429.db2.gz ZXKCYFPMYCRGRJ-VHSXEESVSA-N 0 3 242.319 0.478 20 0 BCADHN CON1CCN([C@@H]2CCO[C@H](C)C2)CC1 ZINC000852144202 588666687 /nfs/dbraw/zinc/66/66/87/588666687.db2.gz MKOZPEVSFUZOSQ-GHMZBOCLSA-N 0 3 214.309 0.733 20 0 BCADHN CO[C@@H]1CC[C@@H](N[C@H](CO)c2ccnn2C)C1 ZINC000852161190 588668511 /nfs/dbraw/zinc/66/85/11/588668511.db2.gz LLVFHNOIDOFESV-GMTAPVOTSA-N 0 3 239.319 0.611 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@H]1CCC(=O)O1 ZINC000852184005 588670173 /nfs/dbraw/zinc/67/01/73/588670173.db2.gz DKAZNBVYLWVFPI-OPRDCNLKSA-N 0 3 213.277 0.537 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1C[C@@H]1COC(C)(C)O1 ZINC000852184059 588670205 /nfs/dbraw/zinc/67/02/05/588670205.db2.gz FGCAOXSCXFSEPC-OUAUKWLOSA-N 0 3 229.320 0.983 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@H](O)c1ccccn1 ZINC000852184836 588670330 /nfs/dbraw/zinc/67/03/30/588670330.db2.gz QRMGCTZDQXXSFJ-WZRBSPASSA-N 0 3 236.315 0.960 20 0 BCADHN C[C@H](CCO)N(C)C[C@@H]1CCC(=O)O1 ZINC000852212370 588672587 /nfs/dbraw/zinc/67/25/87/588672587.db2.gz AHLOQFJZAKEKBR-BDAKNGLRSA-N 0 3 201.266 0.395 20 0 BCADHN CN(CC[C@@H]1CCOC1=O)Cc1cnc[nH]1 ZINC000852287496 588675924 /nfs/dbraw/zinc/67/59/24/588675924.db2.gz ZBFYEAGWLFVPIT-SECBINFHSA-N 0 3 223.276 0.795 20 0 BCADHN CC[C@@H](C)N(CC)CCS(N)(=O)=O ZINC000852293580 588676981 /nfs/dbraw/zinc/67/69/81/588676981.db2.gz OLYBAEFDGKLCNC-MRVPVSSYSA-N 0 3 208.327 0.395 20 0 BCADHN O=C1CCC2=C(CCN([C@@H]3CCOC3)C2)N1 ZINC000852295721 588677456 /nfs/dbraw/zinc/67/74/56/588677456.db2.gz JIGCFDDKSDQPQL-SNVBAGLBSA-N 0 3 222.288 0.645 20 0 BCADHN CC(=O)CCN1CC[C@@H](Cn2ccnn2)C1 ZINC000852316638 588678146 /nfs/dbraw/zinc/67/81/46/588678146.db2.gz CZPHELFDVZJNIC-LLVKDONJSA-N 0 3 222.292 0.579 20 0 BCADHN COCCCCN1CC[C@H](N2CCOC2=O)C1 ZINC000852432862 588681927 /nfs/dbraw/zinc/68/19/27/588681927.db2.gz MOHYFDRLAWKAOD-NSHDSACASA-N 0 3 242.319 0.940 20 0 BCADHN CCC(=O)CCN1CC[C@H](N2CCOC2=O)C1 ZINC000852438842 588682194 /nfs/dbraw/zinc/68/21/94/588682194.db2.gz XZDPHTBVWOJFES-JTQLQIEISA-N 0 3 240.303 0.882 20 0 BCADHN CC(C)[C@H](O)CN1CC[C@H](N2CCOC2=O)C1 ZINC000852438621 588682410 /nfs/dbraw/zinc/68/24/10/588682410.db2.gz UROBYRYILXRZPI-WDEREUQCSA-N 0 3 242.319 0.530 20 0 BCADHN CONC(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000852465583 588682963 /nfs/dbraw/zinc/68/29/63/588682963.db2.gz HYQJEPPCHIBQDA-QMMMGPOBSA-N 0 3 215.297 0.720 20 0 BCADHN CN(CC[C@H]1CCOC1=O)C[C@@H]1COCCO1 ZINC000852495316 588685474 /nfs/dbraw/zinc/68/54/74/588685474.db2.gz JCHAYIOQVHQHJU-WDEREUQCSA-N 0 3 243.303 0.287 20 0 BCADHN C[C@]12COC[C@H]1CN(CC1OCCO1)C2 ZINC000852533800 588688171 /nfs/dbraw/zinc/68/81/71/588688171.db2.gz DFRNBZWMWJUQIV-KOLCDFICSA-N 0 3 213.277 0.328 20 0 BCADHN COC(CN1C[C@@H]2COC[C@@]2(C)C1)OC ZINC000852533787 588688240 /nfs/dbraw/zinc/68/82/40/588688240.db2.gz CYQXEYPTFHRGEH-MWLCHTKSSA-N 0 3 215.293 0.574 20 0 BCADHN COC(=O)/C(C)=C\CN1CCC[C@@H]1[C@@H](C)O ZINC000852558746 588690224 /nfs/dbraw/zinc/69/02/24/588690224.db2.gz CUFINYIDBNCAJR-GOLMWGNGSA-N 0 3 227.304 0.951 20 0 BCADHN COC(=O)N(C)CCN(C)CC1(C)COC1 ZINC000852566733 588690928 /nfs/dbraw/zinc/69/09/28/588690928.db2.gz INFDICKMPHMQGK-UHFFFAOYSA-N 0 3 230.308 0.653 20 0 BCADHN COC(=O)N(C)CCN(C)CCn1ccnc1 ZINC000852569275 588691099 /nfs/dbraw/zinc/69/10/99/588691099.db2.gz KSFRXXFWENSZLN-UHFFFAOYSA-N 0 3 240.307 0.513 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@H](O)C2CC2)C[C@@H]1C ZINC000852650334 588694091 /nfs/dbraw/zinc/69/40/91/588694091.db2.gz JKLJQSXMNIIPPJ-WCQGTBRESA-N 0 3 241.331 0.888 20 0 BCADHN c1cnc2c(n1)CCN(CCN1CCCC1)C2 ZINC000852699718 588696547 /nfs/dbraw/zinc/69/65/47/588696547.db2.gz XYKBEXNYVHUKFM-UHFFFAOYSA-N 0 3 232.331 0.931 20 0 BCADHN C[C@H](O)CN1CCC(N2CCOC2=O)CC1 ZINC000852720517 588698167 /nfs/dbraw/zinc/69/81/67/588698167.db2.gz IRDZSAOGSRAIMN-VIFPVBQESA-N 0 3 228.292 0.284 20 0 BCADHN CN(C[C@@H]1CC1(C)C)[C@@H]1CCC(=O)NC1=O ZINC000852771263 588701241 /nfs/dbraw/zinc/70/12/41/588701241.db2.gz CSSRSPQVTHWYLE-DTWKUNHWSA-N 0 3 224.304 0.770 20 0 BCADHN COCCNC(=O)[C@H]1NCC12CCCC2 ZINC000852771014 588701304 /nfs/dbraw/zinc/70/13/04/588701304.db2.gz ISJGUKUDRBGJFL-SECBINFHSA-N 0 3 212.293 0.281 20 0 BCADHN COCCCNC(=O)[C@H]1NCC12CCCC2 ZINC000852774431 588702005 /nfs/dbraw/zinc/70/20/05/588702005.db2.gz VLBKAEVUZJXFFL-SNVBAGLBSA-N 0 3 226.320 0.671 20 0 BCADHN NC[C@H]1CC(C(=O)NCC2CCCCC2)=NO1 ZINC000852799836 588703906 /nfs/dbraw/zinc/70/39/06/588703906.db2.gz IKWBKSMRLBGVDE-SNVBAGLBSA-N 0 3 239.319 0.787 20 0 BCADHN C[C@@H](NC(=O)C1=NO[C@@H](CN)C1)c1ccccc1 ZINC000852799860 588703951 /nfs/dbraw/zinc/70/39/51/588703951.db2.gz JMTQCNVANWSWEZ-MWLCHTKSSA-N 0 3 247.298 0.967 20 0 BCADHN CC(C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852800289 588704295 /nfs/dbraw/zinc/70/42/95/588704295.db2.gz NANFGPQLVCCZKV-MRVPVSSYSA-N 0 3 213.281 0.252 20 0 BCADHN C[C@@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852801400 588704683 /nfs/dbraw/zinc/70/46/83/588704683.db2.gz ZLSHEOZEOTWKRE-BDAKNGLRSA-N 0 3 225.292 0.349 20 0 BCADHN CCC[C@H](C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852801597 588704694 /nfs/dbraw/zinc/70/46/94/588704694.db2.gz QYYNDALPRGIKPS-JGVFFNPUSA-N 0 3 213.281 0.395 20 0 BCADHN CCCN(CC)C(=O)C1=NO[C@@H](CN)C1 ZINC000852807873 588705023 /nfs/dbraw/zinc/70/50/23/588705023.db2.gz BBVLBEXSAAXYCB-MRVPVSSYSA-N 0 3 213.281 0.349 20 0 BCADHN NC[C@@H]1CC(C(=O)NCCC2CCCC2)=NO1 ZINC000852814047 588705072 /nfs/dbraw/zinc/70/50/72/588705072.db2.gz QJWCUJNMISYYTB-JTQLQIEISA-N 0 3 239.319 0.787 20 0 BCADHN COC(=O)C[C@@H](NC(=O)CNC(C)C)C1CC1 ZINC000852815074 588705137 /nfs/dbraw/zinc/70/51/37/588705137.db2.gz VMKBWGIXPMOILF-SNVBAGLBSA-N 0 3 242.319 0.442 20 0 BCADHN Cc1noc(C)c1NC(=O)C1=NO[C@H](CN)C1 ZINC000852810986 588705263 /nfs/dbraw/zinc/70/52/63/588705263.db2.gz ZVANFASLGVUIBW-ZETCQYMHSA-N 0 3 238.247 0.334 20 0 BCADHN CC(C)[C@@H]1CCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852815802 588705342 /nfs/dbraw/zinc/70/53/42/588705342.db2.gz ZXMJSCUPJHXERD-KOLCDFICSA-N 0 3 239.319 0.737 20 0 BCADHN CC(=O)c1cccc(C(=O)N[C@@H](C)CN)c1 ZINC000852828786 588705463 /nfs/dbraw/zinc/70/54/63/588705463.db2.gz QRVRAUBTARAOAI-QMMMGPOBSA-N 0 3 220.272 0.966 20 0 BCADHN CC1(C)C[C@H]1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852840872 588705780 /nfs/dbraw/zinc/70/57/80/588705780.db2.gz ZTRSAGNHYUIBNJ-JGVFFNPUSA-N 0 3 225.292 0.252 20 0 BCADHN C[C@@H]1CCC[C@@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852835361 588706785 /nfs/dbraw/zinc/70/67/85/588706785.db2.gz LMGRMNDHVQXAQE-VGMNWLOBSA-N 0 3 225.292 0.395 20 0 BCADHN CC[C@]1(C)CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852851166 588706877 /nfs/dbraw/zinc/70/68/77/588706877.db2.gz YDCRATJLMWXUKE-JOYOIKCWSA-N 0 3 239.319 0.739 20 0 BCADHN CC1(C)CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852838799 588707290 /nfs/dbraw/zinc/70/72/90/588707290.db2.gz PDJYBVJCFZUWMS-MRVPVSSYSA-N 0 3 225.292 0.349 20 0 BCADHN COC(=O)CCC(C)(C)NC(=O)CNC(C)C ZINC000852840492 588707353 /nfs/dbraw/zinc/70/73/53/588707353.db2.gz OSFFDPFUGASKBB-UHFFFAOYSA-N 0 3 244.335 0.832 20 0 BCADHN CN(C(=O)C1=NO[C@@H](CN)C1)C1CCC1 ZINC000852841841 588707406 /nfs/dbraw/zinc/70/74/06/588707406.db2.gz RRCYMORSAGYOLZ-MRVPVSSYSA-N 0 3 211.265 0.101 20 0 BCADHN C[C@H]1CN(C(=O)C2=NO[C@@H](CN)C2)C[C@H]1C ZINC000852843444 588707806 /nfs/dbraw/zinc/70/78/06/588707806.db2.gz XXFDKORSVIFZOA-HRDYMLBCSA-N 0 3 225.292 0.204 20 0 BCADHN O=C(N1CCC[C@@H]2OCC[C@@H]21)[C@]1(F)CCNC1 ZINC000852845397 588708009 /nfs/dbraw/zinc/70/80/09/588708009.db2.gz WKKNBLKGNHRPGC-NHCYSSNCSA-N 0 3 242.294 0.468 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N[C@@H]1C=CCC1 ZINC000852848062 588708063 /nfs/dbraw/zinc/70/80/63/588708063.db2.gz ZELUNASUHYJZDW-BDAKNGLRSA-N 0 3 226.276 0.102 20 0 BCADHN COCCN(CCF)C(=O)[C@]1(F)CCNC1 ZINC000852851564 588708169 /nfs/dbraw/zinc/70/81/69/588708169.db2.gz TZDTTXZYPBLHLV-JTQLQIEISA-N 0 3 236.262 0.133 20 0 BCADHN C[C@@H](N(C)C(=O)C1=NO[C@H](CN)C1)C1(C)CC1 ZINC000852853035 588708226 /nfs/dbraw/zinc/70/82/26/588708226.db2.gz PVEBDAMAKCKYGQ-BDAKNGLRSA-N 0 3 239.319 0.737 20 0 BCADHN C[C@H](NC(=O)C1=NO[C@H](CN)C1)c1ccccn1 ZINC000852854159 588708516 /nfs/dbraw/zinc/70/85/16/588708516.db2.gz DCTUPOZJUKDXTC-IUCAKERBSA-N 0 3 248.286 0.362 20 0 BCADHN C[C@@H]1CCC[C@@H](CNC(=O)[C@]2(F)CCNC2)O1 ZINC000852855127 588708581 /nfs/dbraw/zinc/70/85/81/588708581.db2.gz FLJKPQMBSCRMJC-SCVCMEIPSA-N 0 3 244.310 0.762 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000852856467 588708936 /nfs/dbraw/zinc/70/89/36/588708936.db2.gz QQIOLFHSNYEGNJ-AVPPRXQKSA-N 0 3 220.272 0.628 20 0 BCADHN CN(C(=O)C1=NO[C@H](CN)C1)[C@H]1CCSC1 ZINC000852874162 588709313 /nfs/dbraw/zinc/70/93/13/588709313.db2.gz LTWNKCUAMIDJTA-YUMQZZPRSA-N 0 3 243.332 0.054 20 0 BCADHN CC1(C)C[C@]1(C)NC(=O)[C@@]1(F)CCNC1 ZINC000852864748 588709409 /nfs/dbraw/zinc/70/94/09/588709409.db2.gz GVHYNHBMRCPYLV-WDEREUQCSA-N 0 3 214.284 0.993 20 0 BCADHN CC1(C)C[C@@]1(C)NC(=O)[C@@]1(F)CCNC1 ZINC000852864745 588709469 /nfs/dbraw/zinc/70/94/69/588709469.db2.gz GVHYNHBMRCPYLV-GHMZBOCLSA-N 0 3 214.284 0.993 20 0 BCADHN CCC/C=C/C(=O)NCCNCCOC ZINC000852873937 588709865 /nfs/dbraw/zinc/70/98/65/588709865.db2.gz HQURJCBYTWAAQA-AATRIKPKSA-N 0 3 214.309 0.695 20 0 BCADHN CN(Cc1ccccn1)C(=O)C1=NO[C@H](CN)C1 ZINC000852873884 588709896 /nfs/dbraw/zinc/70/98/96/588709896.db2.gz GZZNUALUSIHCLK-JTQLQIEISA-N 0 3 248.286 0.144 20 0 BCADHN C[C@@H](NN1CCNC(C)(C)C1)c1ncnn1C ZINC000852882310 588711367 /nfs/dbraw/zinc/71/13/67/588711367.db2.gz CHRXWZKZLFKQAI-SECBINFHSA-N 0 3 238.339 0.065 20 0 BCADHN C[C@@H](CCC1CC1)NC(=O)C1=NO[C@H](CN)C1 ZINC000852887093 588711438 /nfs/dbraw/zinc/71/14/38/588711438.db2.gz FJEXYVADOKESIK-WPRPVWTQSA-N 0 3 239.319 0.785 20 0 BCADHN C[C@H]1CCCCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852887963 588711537 /nfs/dbraw/zinc/71/15/37/588711537.db2.gz FNAGNSOASGDIIW-VHSXEESVSA-N 0 3 239.319 0.739 20 0 BCADHN Cc1cnccc1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852885368 588711550 /nfs/dbraw/zinc/71/15/50/588711550.db2.gz OMRZBEWKNJARDD-SNVBAGLBSA-N 0 3 248.286 0.110 20 0 BCADHN CC(C)NCC(=O)NC[C@](C)(O)c1ccco1 ZINC000852896245 588712110 /nfs/dbraw/zinc/71/21/10/588712110.db2.gz WIFPFYRPIZOKHP-LBPRGKRZSA-N 0 3 240.303 0.601 20 0 BCADHN NC[C@@H]1CC(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)=NO1 ZINC000852894291 588712142 /nfs/dbraw/zinc/71/21/42/588712142.db2.gz PLIWKCMPPPGRPB-QEYWKRMJSA-N 0 3 237.303 0.395 20 0 BCADHN CC[C@H](C)N(CC)C(=O)C1=NO[C@@H](CN)C1 ZINC000852900131 588712316 /nfs/dbraw/zinc/71/23/16/588712316.db2.gz RCCLWVGNWWGVRL-DTWKUNHWSA-N 0 3 227.308 0.737 20 0 BCADHN CC[C@@H](C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852902203 588712511 /nfs/dbraw/zinc/71/25/11/588712511.db2.gz BZVAUMGXGJEUEN-RKDXNWHRSA-N 0 3 227.308 0.642 20 0 BCADHN Cc1cnn(C)c1NC(=O)[C@@]1(F)CCNC1 ZINC000852902643 588712559 /nfs/dbraw/zinc/71/25/59/588712559.db2.gz PAPGGJPXAVRSGM-SNVBAGLBSA-N 0 3 226.255 0.369 20 0 BCADHN NCc1cccc(C(=O)NC/C=C\CO)c1 ZINC000852902220 588712698 /nfs/dbraw/zinc/71/26/98/588712698.db2.gz CKRLUVRJEVMERA-UPHRSURJSA-N 0 3 220.272 0.424 20 0 BCADHN COc1cc(NC(=O)[C@]2(F)CCNC2)ccn1 ZINC000852913253 588712856 /nfs/dbraw/zinc/71/28/56/588712856.db2.gz PLRLCHDWXLFILA-NSHDSACASA-N 0 3 239.250 0.730 20 0 BCADHN NCC(=O)N[C@@H]1C[C@H](O)c2ccccc21 ZINC000852907425 588712968 /nfs/dbraw/zinc/71/29/68/588712968.db2.gz LMDHPBRRHZPQDV-ZJUUUORDSA-N 0 3 206.245 0.240 20 0 BCADHN CC(C)[C@H](NC(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000852915439 588713064 /nfs/dbraw/zinc/71/30/64/588713064.db2.gz FVMFYDQPPMSRAJ-KOLCDFICSA-N 0 3 239.319 0.641 20 0 BCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C=CC2CC2)n1 ZINC000852918440 588713262 /nfs/dbraw/zinc/71/32/62/588713262.db2.gz BCQWEXOJQSPFRG-ARJAWSKDSA-N 0 3 248.286 0.223 20 0 BCADHN CC(F)(F)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000852919418 588713380 /nfs/dbraw/zinc/71/33/80/588713380.db2.gz WIAKPQINKMTNSK-PHDIDXHHSA-N 0 3 210.199 0.539 20 0 BCADHN CC1(C)CC(NC(=O)[C@@]2(F)CCNC2)C1 ZINC000852920847 588713493 /nfs/dbraw/zinc/71/34/93/588713493.db2.gz AASFPYJOHKPRCX-LLVKDONJSA-N 0 3 214.284 0.993 20 0 BCADHN CN(C[C@@H]1CC1(C)C)C(=O)C1=NO[C@H](CN)C1 ZINC000852924569 588713548 /nfs/dbraw/zinc/71/35/48/588713548.db2.gz LPJGTAJGFBAYTK-IUCAKERBSA-N 0 3 239.319 0.595 20 0 BCADHN Cc1cn(C)nc1NC(=O)[C@]1(F)CCNC1 ZINC000852924009 588713601 /nfs/dbraw/zinc/71/36/01/588713601.db2.gz LECJURIWZXQTTJ-JTQLQIEISA-N 0 3 226.255 0.369 20 0 BCADHN CCn1nccc1CNC(=O)[C@@H](C)NC1CC1 ZINC000852926784 588713815 /nfs/dbraw/zinc/71/38/15/588713815.db2.gz FTTVVVNAQVMAEN-SECBINFHSA-N 0 3 236.319 0.660 20 0 BCADHN COC[C@@H](O)CNCc1cnc2ccccn12 ZINC000117946386 589140338 /nfs/dbraw/zinc/14/03/38/589140338.db2.gz POFDESAPMOOMAD-NSHDSACASA-N 0 3 235.287 0.431 20 0 BCADHN C/C=C/C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861708950 589175482 /nfs/dbraw/zinc/17/54/82/589175482.db2.gz JQKIKSLNOBTAJG-ZNRGBCAMSA-N 0 3 224.304 0.230 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H]1COCO1)N(CC)CC ZINC000861972245 589186461 /nfs/dbraw/zinc/18/64/61/589186461.db2.gz QIVXKIXRTYEGLS-MNOVXSKESA-N 0 3 244.335 0.596 20 0 BCADHN CCON(CC)C(=O)CN[C@@H](C)CCOC ZINC000862453375 589214940 /nfs/dbraw/zinc/21/49/40/589214940.db2.gz ULSIPFONBVKWOD-JTQLQIEISA-N 0 3 232.324 0.801 20 0 BCADHN COC(=O)C1=CC[C@@H](NCc2cncn2C)C1 ZINC000862465461 589216004 /nfs/dbraw/zinc/21/60/04/589216004.db2.gz IVCKZXQPQXFPMJ-SNVBAGLBSA-N 0 3 235.287 0.772 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CC[C@H]1SC ZINC000862538636 589218097 /nfs/dbraw/zinc/21/80/97/589218097.db2.gz CLTQZCKJHLGIGO-DJLDLDEBSA-N 0 3 232.349 0.878 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CSC[C@H]1C ZINC000862538795 589218105 /nfs/dbraw/zinc/21/81/05/589218105.db2.gz FQVJVOAYFQJNQA-HRDYMLBCSA-N 0 3 232.349 0.736 20 0 BCADHN CON(C)C(=O)[C@@H](C)NC[C@@H]1CCC=CO1 ZINC000862542748 589218867 /nfs/dbraw/zinc/21/88/67/589218867.db2.gz ZDSBMULLUCTARI-ZJUUUORDSA-N 0 3 228.292 0.677 20 0 BCADHN CC(C)[C@H](C(=O)Nn1cccn1)N(C)C ZINC000862766929 589238890 /nfs/dbraw/zinc/23/88/90/589238890.db2.gz OYZPFIGZFAKYSN-SECBINFHSA-N 0 3 210.281 0.539 20 0 BCADHN CN(C)CCNC(=S)N1C[C@@H]2C[C@@H]2C1 ZINC000863207830 589271598 /nfs/dbraw/zinc/27/15/98/589271598.db2.gz OIJOPYPUWSQYJV-DTORHVGOSA-N 0 3 213.350 0.374 20 0 BCADHN O=C(/C=C/C1CC1)NCCN1CC[C@@H](O)C1 ZINC000863321983 589279754 /nfs/dbraw/zinc/27/97/54/589279754.db2.gz KVQINLGXHCOUOU-PGLGOXFNSA-N 0 3 224.304 0.135 20 0 BCADHN O=C(/C=C\C1CC1)NCCN1CC[C@@H](O)C1 ZINC000863321982 589279935 /nfs/dbraw/zinc/27/99/35/589279935.db2.gz KVQINLGXHCOUOU-DLRQAJBASA-N 0 3 224.304 0.135 20 0 BCADHN CN1CCC[C@H]1CNC(=O)/C=C/[C@@H]1CCCO1 ZINC000863503046 589294527 /nfs/dbraw/zinc/29/45/27/589294527.db2.gz VDCZLYXJQKPSCQ-KZQRZKTQSA-N 0 3 238.331 0.932 20 0 BCADHN CN1CCC[C@H]1CNC(=O)/C=C/[C@H]1CCOC1 ZINC000863503152 589294676 /nfs/dbraw/zinc/29/46/76/589294676.db2.gz DDVDPZHXCMNDLC-XMXMHJJKSA-N 0 3 238.331 0.790 20 0 BCADHN O=C1[C@H](NC[C@@H](O)C2CC2)CCN1C1CCC1 ZINC000863590323 589303094 /nfs/dbraw/zinc/30/30/94/589303094.db2.gz ISUSAZGXEPEKHY-VXGBXAGGSA-N 0 3 238.331 0.500 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC000863668927 589309294 /nfs/dbraw/zinc/30/92/94/589309294.db2.gz SZYZPXLYOYXTMO-MGCOHNPYSA-N 0 3 226.320 0.764 20 0 BCADHN c1nn2c(c1-c1cncnc1)CNCC2 ZINC000863693021 589311087 /nfs/dbraw/zinc/31/10/87/589311087.db2.gz YIAAUPZYTFZBMG-UHFFFAOYSA-N 0 3 201.233 0.443 20 0 BCADHN CC(C)(C)/C=C/C(=O)NCCN1CC[C@H](O)C1 ZINC000863831856 589322060 /nfs/dbraw/zinc/32/20/60/589322060.db2.gz OZJCOCBRPDXKMH-MALLOTDXSA-N 0 3 240.347 0.772 20 0 BCADHN C[C@H]1COCCN(C(=O)CN(C)C2CCC2)C1 ZINC000863900182 589324718 /nfs/dbraw/zinc/32/47/18/589324718.db2.gz JCYRUJNKRRGHRF-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)C1(N(C)C)CC1 ZINC000863904984 589325081 /nfs/dbraw/zinc/32/50/81/589325081.db2.gz DUARCSOSMRGVNI-NSHDSACASA-N 0 3 239.363 0.681 20 0 BCADHN O=C1O[C@@H](CNCc2cnc[nH]2)CN1C1CC1 ZINC000864049811 589334388 /nfs/dbraw/zinc/33/43/88/589334388.db2.gz LUKZHCOJPSJFCQ-JTQLQIEISA-N 0 3 236.275 0.483 20 0 BCADHN COc1cncc(CNC[C@H](O)[C@H](C)O)c1C ZINC000864052797 589335173 /nfs/dbraw/zinc/33/51/73/589335173.db2.gz POTXIPGLEFKGIA-ONGXEEELSA-N 0 3 240.303 0.230 20 0 BCADHN CN(CC1(C)COC1)C(=O)C12CCN(CC1)C2 ZINC000864071934 589339300 /nfs/dbraw/zinc/33/93/00/589339300.db2.gz IBRZODXIMUGPKH-UHFFFAOYSA-N 0 3 238.331 0.577 20 0 BCADHN CN(C)CCNC(=O)C1(F)CCOCC1 ZINC000864415926 589360573 /nfs/dbraw/zinc/36/05/73/589360573.db2.gz IGBGZGHMRUPSAE-UHFFFAOYSA-N 0 3 218.272 0.183 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)/C=C/COC ZINC000864609643 589383002 /nfs/dbraw/zinc/38/30/02/589383002.db2.gz AZXOMIQHAXJROC-OKPNEXGHSA-N 0 3 226.320 0.790 20 0 BCADHN COC[C@@H](N)Cc1cn(C[Si](C)(C)C)nn1 ZINC000864621413 589384350 /nfs/dbraw/zinc/38/43/50/589384350.db2.gz KAIUKBVYHXQOMC-VIFPVBQESA-N 0 3 242.399 0.672 20 0 BCADHN Cc1nn(C)cc1-c1cn(CCN(C)C)nn1 ZINC000864623476 589384742 /nfs/dbraw/zinc/38/47/42/589384742.db2.gz LEXNWYKWGCEPAU-UHFFFAOYSA-N 0 3 234.307 0.549 20 0 BCADHN CCN(CC)Cc1cn(CCN(C)C)nn1 ZINC000864624277 589384937 /nfs/dbraw/zinc/38/49/37/589384937.db2.gz WYWTVVSWDNFIGT-UHFFFAOYSA-N 0 3 225.340 0.682 20 0 BCADHN CCC[C@@H](N)c1cn([C@@H]2CCOC2=O)nn1 ZINC000864641156 589386720 /nfs/dbraw/zinc/38/67/20/589386720.db2.gz SVUMQVPARUDCDW-VXNVDRBHSA-N 0 3 224.264 0.566 20 0 BCADHN CCC[C@H](N)c1cn([C@@H]2CCOC2=O)nn1 ZINC000864641155 589386899 /nfs/dbraw/zinc/38/68/99/589386899.db2.gz SVUMQVPARUDCDW-IONNQARKSA-N 0 3 224.264 0.566 20 0 BCADHN O[C@@H](c1cn(CCN2CCCC2)nn1)C1CC1 ZINC000864652602 589388112 /nfs/dbraw/zinc/38/81/12/589388112.db2.gz NGDCCCBPHSILDP-GFCCVEGCSA-N 0 3 236.319 0.817 20 0 BCADHN O=C1OCC[C@@H]1CCN(CCO)C1CC1 ZINC000120170929 589388938 /nfs/dbraw/zinc/38/89/38/589388938.db2.gz PUMDZNALAYASLR-VIFPVBQESA-N 0 3 213.277 0.396 20 0 BCADHN C[C@@H](CNC(=O)C1(F)CCOCC1)N(C)C ZINC000864828253 589396876 /nfs/dbraw/zinc/39/68/76/589396876.db2.gz PMKVTIQBPHPGDY-VIFPVBQESA-N 0 3 232.299 0.571 20 0 BCADHN CC[S@@](=O)CCNC[C@H](O)C(F)(F)F ZINC000217331731 589398295 /nfs/dbraw/zinc/39/82/95/589398295.db2.gz JVNYKYVAZIVDHK-DXRPGJJCSA-N 0 3 233.255 0.268 20 0 BCADHN CC[S@](=O)CCNC[C@@H](O)COC(C)C ZINC000217331696 589398353 /nfs/dbraw/zinc/39/83/53/589398353.db2.gz NRFZNWAFPPGVFH-BMIGLBTASA-N 0 3 237.365 0.131 20 0 BCADHN O=C1OCC[C@@H]1CCN1CCN(C2CC2)CC1 ZINC000120278631 589398861 /nfs/dbraw/zinc/39/88/61/589398861.db2.gz GSXNXYWKIMEHIH-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN COC/C=C\C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000865007436 589404699 /nfs/dbraw/zinc/40/46/99/589404699.db2.gz SSVBBNHTMFHAQP-ZMWSMAPVSA-N 0 3 224.304 0.542 20 0 BCADHN COC/C=C/C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000865007435 589404871 /nfs/dbraw/zinc/40/48/71/589404871.db2.gz SSVBBNHTMFHAQP-VMZHVLLKSA-N 0 3 224.304 0.542 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)O1 ZINC000865125791 589409813 /nfs/dbraw/zinc/40/98/13/589409813.db2.gz KUNYATBJCODHHI-VHSXEESVSA-N 0 3 240.303 0.245 20 0 BCADHN C[C@@H]1NC(=S)N(CCN2CCCC2)C1=O ZINC000015570309 589419655 /nfs/dbraw/zinc/41/96/55/589419655.db2.gz SDLOUSPAZXNSPY-QMMMGPOBSA-N 0 3 227.333 0.187 20 0 BCADHN C[C@H]1NC(=S)N(C2CCN(C)CC2)C1=O ZINC000015570554 589419891 /nfs/dbraw/zinc/41/98/91/589419891.db2.gz PKFLHIJUHPDYEZ-SSDOTTSWSA-N 0 3 227.333 0.186 20 0 BCADHN CN(C)CCNc1nccc(-c2ccnn2C)n1 ZINC000865401262 589432845 /nfs/dbraw/zinc/43/28/45/589432845.db2.gz MGEARUDLZNCODX-UHFFFAOYSA-N 0 3 246.318 0.851 20 0 BCADHN O=c1ccc(CNC[C@H](O)C(F)(F)F)c[nH]1 ZINC000865427477 589435129 /nfs/dbraw/zinc/43/51/29/589435129.db2.gz GUBWQMWGZUVPJG-ZETCQYMHSA-N 0 3 236.193 0.800 20 0 BCADHN Cn1ncc2cc(CN[C@H](CO)C3CC3)cnc21 ZINC000865465395 589438104 /nfs/dbraw/zinc/43/81/04/589438104.db2.gz YWWUDKMTYKNBAN-GFCCVEGCSA-N 0 3 246.314 0.829 20 0 BCADHN C[S@@](=O)CCNCc1ccc(=O)[nH]c1 ZINC000865467388 589438670 /nfs/dbraw/zinc/43/86/70/589438670.db2.gz ZFNGPLKSTHGEGB-CQSZACIVSA-N 0 3 214.290 0.255 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cnc2c(cnn2C)c1 ZINC000865496025 589440953 /nfs/dbraw/zinc/44/09/53/589440953.db2.gz PNSRYFQKKBIOBJ-QMMMGPOBSA-N 0 3 247.302 0.322 20 0 BCADHN OCCN1CCCN(c2ccc(F)nn2)CC1 ZINC000865511200 589442207 /nfs/dbraw/zinc/44/22/07/589442207.db2.gz XFZQAFHZWYKXAR-UHFFFAOYSA-N 0 3 240.282 0.120 20 0 BCADHN Cc1cc(CNCCCc2cnn(C)n2)on1 ZINC000865578957 589448769 /nfs/dbraw/zinc/44/87/69/589448769.db2.gz JHXQXYNOIWINAJ-UHFFFAOYSA-N 0 3 235.291 0.834 20 0 BCADHN NC(=O)[C@@H]1CC[C@H](NCc2cn(C3CC3)cn2)C1 ZINC000865593969 589449961 /nfs/dbraw/zinc/44/99/61/589449961.db2.gz NGRQEMPGWVMNGF-ZJUUUORDSA-N 0 3 248.330 0.962 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2cn(C3CC3)cn2)C1 ZINC000865616204 589451500 /nfs/dbraw/zinc/45/15/00/589451500.db2.gz GRKNFUQSXYHUAA-DTORHVGOSA-N 0 3 234.303 0.572 20 0 BCADHN NC(=O)[C@H]1C[C@H](NCc2cn(C3CC3)cn2)C1 ZINC000865640253 589453833 /nfs/dbraw/zinc/45/38/33/589453833.db2.gz GRKNFUQSXYHUAA-KYZUINATSA-N 0 3 234.303 0.572 20 0 BCADHN c1cnc(CN[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cn1 ZINC000865696704 589456788 /nfs/dbraw/zinc/45/67/88/589456788.db2.gz SZBYFOUINXFRQX-WXDOIIRRSA-N 0 3 231.299 0.990 20 0 BCADHN COC/C=C/C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000865711492 589458047 /nfs/dbraw/zinc/45/80/47/589458047.db2.gz LYUKVIXQARJGHJ-AAOUONPWSA-N 0 3 238.331 0.742 20 0 BCADHN COC/C=C/C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000865718443 589458310 /nfs/dbraw/zinc/45/83/10/589458310.db2.gz ZKPKZZASIJQPSH-PCAWENJQSA-N 0 3 238.331 0.884 20 0 BCADHN Cc1cccc2ncc(CNC[C@@H](O)[C@@H](C)O)n21 ZINC000865738668 589459614 /nfs/dbraw/zinc/45/96/14/589459614.db2.gz ITFQCROKRJTPDE-ZYHUDNBSSA-N 0 3 249.314 0.474 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1cccc2nccn21 ZINC000865738402 589459751 /nfs/dbraw/zinc/45/97/51/589459751.db2.gz FHLCLTOSSWNPDR-GXSJLCMTSA-N 0 3 235.287 0.166 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cc2cccnc2o1 ZINC000865738588 589459782 /nfs/dbraw/zinc/45/97/82/589459782.db2.gz OENOOQQQZSWBHW-KWQFWETISA-N 0 3 236.271 0.659 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1ccc(F)nc1 ZINC000865738647 589459855 /nfs/dbraw/zinc/45/98/55/589459855.db2.gz ILOKDTLAYCKLPZ-APPZFPTMSA-N 0 3 214.240 0.052 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1c(C2CC2)cnn1C ZINC000865739321 589459909 /nfs/dbraw/zinc/45/99/09/589459909.db2.gz UPDSNUKFLMZURI-QPUJVOFHSA-N 0 3 239.319 0.129 20 0 BCADHN CON(C)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000120721276 589461447 /nfs/dbraw/zinc/46/14/47/589461447.db2.gz KMQDLEDEZDFQPX-UHFFFAOYSA-N 0 3 241.295 0.470 20 0 BCADHN COC/C=C/C(=O)N[C@H](CN(C)C)C(C)C ZINC000865800403 589462319 /nfs/dbraw/zinc/46/23/19/589462319.db2.gz NEHXJTSDNAHPIJ-XUIVZRPNSA-N 0 3 228.336 0.891 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)Cc1nc[nH]n1 ZINC000865799495 589462331 /nfs/dbraw/zinc/46/23/31/589462331.db2.gz CZVQPCJYYHGAJT-SECBINFHSA-N 0 3 239.323 0.050 20 0 BCADHN CN1CCn2nc(NCc3cnccn3)cc2C1 ZINC000865845292 589464580 /nfs/dbraw/zinc/46/45/80/589464580.db2.gz OMWHEPCSFXJKES-UHFFFAOYSA-N 0 3 244.302 0.731 20 0 BCADHN Cc1c[nH]c(CNc2cc3n(n2)CCN(C)C3)n1 ZINC000865845367 589464724 /nfs/dbraw/zinc/46/47/24/589464724.db2.gz AXVGWLSULCXLDX-UHFFFAOYSA-N 0 3 246.318 0.972 20 0 BCADHN Cn1nccc1CN[C@H]1CCCC[C@H]1C(N)=O ZINC000120886911 589475386 /nfs/dbraw/zinc/47/53/86/589475386.db2.gz UEMSJMIETFTCPV-MNOVXSKESA-N 0 3 236.319 0.554 20 0 BCADHN OCc1cc(N[C@@H]2COCC[C@H]2O)ccn1 ZINC000866116514 589477385 /nfs/dbraw/zinc/47/73/85/589477385.db2.gz RICIQKJNHFTLFR-GHMZBOCLSA-N 0 3 224.260 0.136 20 0 BCADHN CC/C=C(/F)C(=O)NCC1(O)CCN(C)CC1 ZINC000866222799 589481440 /nfs/dbraw/zinc/48/14/40/589481440.db2.gz WZMUENOXODTKDH-ONNFQVAWSA-N 0 3 244.310 0.823 20 0 BCADHN CS[C@H]1C[C@H](N[C@H](C)CS(C)(=O)=O)C1 ZINC000866486645 589496661 /nfs/dbraw/zinc/49/66/61/589496661.db2.gz NDZKISFFFLPUFG-IWSPIJDZSA-N 0 3 237.390 0.903 20 0 BCADHN COC[C@@H](C)OC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000866596504 589502527 /nfs/dbraw/zinc/50/25/27/589502527.db2.gz GMNSCZSBPYUYTQ-NXEZZACHSA-N 0 3 242.319 0.984 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCNC[C@H]1C(F)F ZINC000866665482 589509893 /nfs/dbraw/zinc/50/98/93/589509893.db2.gz GQMYTSSRKRYXLY-AEJSXWLSSA-N 0 3 234.290 0.950 20 0 BCADHN [NH3+][C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccco2)C1 ZINC000866807256 589519298 /nfs/dbraw/zinc/51/92/98/589519298.db2.gz WMHFVJSGYDVROL-OCAPTIKFSA-N 0 3 230.289 0.295 20 0 BCADHN CO[C@@]1(C)C[C@H](NC(=O)[C@H](C)N)C1(C)C ZINC000121682440 589526605 /nfs/dbraw/zinc/52/66/05/589526605.db2.gz GTYLLGPIQGQISS-LAEOZQHASA-N 0 3 214.309 0.653 20 0 BCADHN CN(C)C1(CNC(=O)[C@H]2CCC(=O)O2)CCC1 ZINC000867659068 589529314 /nfs/dbraw/zinc/52/93/14/589529314.db2.gz VXUJJXKFAWVBLD-SECBINFHSA-N 0 3 240.303 0.293 20 0 BCADHN CCNCC(=O)NC[C@@H]1CCC12CCOCC2 ZINC000867993122 589542802 /nfs/dbraw/zinc/54/28/02/589542802.db2.gz LWJCSZLCIKHPHG-NSHDSACASA-N 0 3 240.347 0.919 20 0 BCADHN C[C@H](N)C(=O)NC[C@H]1c2ccccc2CN1C ZINC000867998805 589542941 /nfs/dbraw/zinc/54/29/41/589542941.db2.gz INUWKPGRCSIADO-CABZTGNLSA-N 0 3 233.315 0.637 20 0 BCADHN C[C@H](N)C(=O)NC[C@H]1CC(=O)c2ccccc2O1 ZINC000867997378 589543072 /nfs/dbraw/zinc/54/30/72/589543072.db2.gz VGLUFIZOTMQSMM-DTWKUNHWSA-N 0 3 248.282 0.484 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](C)c1ccnn1C ZINC000868027083 589545003 /nfs/dbraw/zinc/54/50/03/589545003.db2.gz SPXJUXOSSDCOEI-SFYZADRCSA-N 0 3 210.281 0.205 20 0 BCADHN CC(C)NCC(=O)Nc1ccn(CCF)n1 ZINC000868025294 589545027 /nfs/dbraw/zinc/54/50/27/589545027.db2.gz CTIVHYUYFLACIJ-UHFFFAOYSA-N 0 3 228.271 0.789 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)Nc1ccn(CCF)n1 ZINC000868027228 589545038 /nfs/dbraw/zinc/54/50/38/589545038.db2.gz VQQWBICUDQFQPU-SECBINFHSA-N 0 3 240.282 0.789 20 0 BCADHN C[C@H](CNCc1cnnn1C)N1CCCCC1 ZINC000121973878 589545327 /nfs/dbraw/zinc/54/53/27/589545327.db2.gz IYOBAGOJXRINRX-LLVKDONJSA-N 0 3 237.351 0.779 20 0 BCADHN CCS(=O)(=O)CCNC[C@@H](C)SC ZINC000122058474 589551885 /nfs/dbraw/zinc/55/18/85/589551885.db2.gz FKSMHGWNQCNBQT-MRVPVSSYSA-N 0 3 225.379 0.762 20 0 BCADHN CCCCNC(=S)NCCN(C)CCOC ZINC000122123388 589556547 /nfs/dbraw/zinc/55/65/47/589556547.db2.gz KXUYPNBUVGGRQX-UHFFFAOYSA-N 0 3 247.408 0.829 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C1(F)CCOCC1 ZINC000868337743 589555547 /nfs/dbraw/zinc/55/55/47/589555547.db2.gz IFBQZHBIEVRAGX-VIFPVBQESA-N 0 3 232.299 0.571 20 0 BCADHN CN(C)CC(C)(C)NC(=O)[C@H]1CCC(=O)O1 ZINC000868827573 589578313 /nfs/dbraw/zinc/57/83/13/589578313.db2.gz YORMLKLJQZHNDB-MRVPVSSYSA-N 0 3 228.292 0.148 20 0 BCADHN CCCONC(=O)c1cnn(CCN(C)C)c1 ZINC000869084869 589586310 /nfs/dbraw/zinc/58/63/10/589586310.db2.gz KVPHPAQJXARHIM-UHFFFAOYSA-N 0 3 240.307 0.516 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@H]2CCC(=O)O2)CCN1 ZINC000869331782 589598996 /nfs/dbraw/zinc/59/89/96/589598996.db2.gz YEBCPGWWEXJOOV-VHSXEESVSA-N 0 3 240.303 0.148 20 0 BCADHN COC(=O)CCCCCCCNC(=O)[C@H](C)N ZINC000122528139 589599417 /nfs/dbraw/zinc/59/94/17/589599417.db2.gz WJFBPECXBBWMRA-JTQLQIEISA-N 0 3 244.335 0.963 20 0 BCADHN CC(C)(O)CN1CC[C@H](NC(=O)C2(F)CC2)C1 ZINC000869776434 589629497 /nfs/dbraw/zinc/62/94/97/589629497.db2.gz HOPNKMUGSWDLID-VIFPVBQESA-N 0 3 244.310 0.450 20 0 BCADHN COCCNC(=S)NC[C@@H]1CCCN(C)C1 ZINC000122981402 589647339 /nfs/dbraw/zinc/64/73/39/589647339.db2.gz ZPXCQJUOXLCWPA-JTQLQIEISA-N 0 3 245.392 0.439 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)c1cnn(CC)n1 ZINC000870546268 589672780 /nfs/dbraw/zinc/67/27/80/589672780.db2.gz BBXLEBIZUHAQDB-VIFPVBQESA-N 0 3 240.307 0.795 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)c1cn(C)nn1 ZINC000870548303 589673511 /nfs/dbraw/zinc/67/35/11/589673511.db2.gz PFJBRWFNPQEVAZ-MRVPVSSYSA-N 0 3 226.280 0.312 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)CCNC(=O)OC ZINC000870553045 589675098 /nfs/dbraw/zinc/67/50/98/589675098.db2.gz YLTZOXXVZFJEEV-VIFPVBQESA-N 0 3 246.307 0.616 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)[C@@H]1CCC(=O)N1C ZINC000870553538 589675508 /nfs/dbraw/zinc/67/55/08/589675508.db2.gz LZMGPIIEZVGXEX-ZJUUUORDSA-N 0 3 242.319 0.491 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)Cc1ccnn1C ZINC000870553940 589675746 /nfs/dbraw/zinc/67/57/46/589675746.db2.gz VVAMAVMEURDPDM-LLVKDONJSA-N 0 3 239.319 0.846 20 0 BCADHN [NH3+][C@H]1CC[C@H](C(=O)Nc2ccncc2[O-])CC1 ZINC000870883636 589694212 /nfs/dbraw/zinc/69/42/12/589694212.db2.gz CPKCHJMKRAVUNF-KYZUINATSA-N 0 3 235.287 0.665 20 0 BCADHN [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccncc2[O-])C1 ZINC000870884496 589694611 /nfs/dbraw/zinc/69/46/11/589694611.db2.gz YYJNKWGWXOESFN-JOAULVNJSA-N 0 3 233.271 0.275 20 0 BCADHN O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c[n-]nn1 ZINC000870975787 589704008 /nfs/dbraw/zinc/70/40/08/589704008.db2.gz CDTIKBMOXLPETG-AYMMMOKOSA-N 0 3 235.291 0.065 20 0 BCADHN O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn[n-]1 ZINC000870975787 589704009 /nfs/dbraw/zinc/70/40/09/589704009.db2.gz CDTIKBMOXLPETG-AYMMMOKOSA-N 0 3 235.291 0.065 20 0 BCADHN O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cn[n-]n1 ZINC000870975787 589704010 /nfs/dbraw/zinc/70/40/10/589704010.db2.gz CDTIKBMOXLPETG-AYMMMOKOSA-N 0 3 235.291 0.065 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000870985169 589705820 /nfs/dbraw/zinc/70/58/20/589705820.db2.gz JWQKIMLMUIGAHK-BDAKNGLRSA-N 0 3 214.309 0.343 20 0 BCADHN CC(C)(N)C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000870985134 589706295 /nfs/dbraw/zinc/70/62/95/589706295.db2.gz IYHVOULKEXBTBB-MRVPVSSYSA-N 0 3 214.309 0.343 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H](C)c1ccnn1C ZINC000871010859 589710778 /nfs/dbraw/zinc/71/07/78/589710778.db2.gz JYZNJLWDZHAQME-SCZZXKLOSA-N 0 3 224.308 0.581 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)c1ccnn1C ZINC000871011321 589711071 /nfs/dbraw/zinc/71/10/71/589711071.db2.gz QZCKLPBNHGGAPQ-HTQZYQBOSA-N 0 3 210.281 0.335 20 0 BCADHN C[C@H](NC(=O)[C@H](N)C1CCC1)c1ccnn1C ZINC000871011775 589711133 /nfs/dbraw/zinc/71/11/33/589711133.db2.gz YJLBQIXIVDBFLS-GZMMTYOYSA-N 0 3 236.319 0.725 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)c1ccnn1C ZINC000871011324 589711181 /nfs/dbraw/zinc/71/11/81/589711181.db2.gz QZCKLPBNHGGAPQ-SFYZADRCSA-N 0 3 210.281 0.335 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@H]1CCCn2nccc21 ZINC000871020732 589713206 /nfs/dbraw/zinc/71/32/06/589713206.db2.gz IUGYVZIFXBRSTK-ONGXEEELSA-N 0 3 248.330 0.975 20 0 BCADHN CN1CCN(C(=O)[C@@H]2C[C@@H]2N)Cc2cccnc21 ZINC000871021690 589713833 /nfs/dbraw/zinc/71/38/33/589713833.db2.gz VMKASGDMBHJASP-MNOVXSKESA-N 0 3 246.314 0.207 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871157871 589741529 /nfs/dbraw/zinc/74/15/29/589741529.db2.gz HOFNTPANAKHTQG-NSHDSACASA-N 0 3 242.363 0.946 20 0 BCADHN COCCN(CCOC)CCC1OCCO1 ZINC000123627905 589758429 /nfs/dbraw/zinc/75/84/29/589758429.db2.gz BTNLQFBESLLAOD-UHFFFAOYSA-N 0 3 233.308 0.344 20 0 BCADHN COC(=O)C1CC(NC(=O)CN(C)C(C)C)C1 ZINC000871546107 589766720 /nfs/dbraw/zinc/76/67/20/589766720.db2.gz DYLMQXFTENIIGP-UHFFFAOYSA-N 0 3 242.319 0.394 20 0 BCADHN Cc1nnc(CONC(=N)COC2CCC2)o1 ZINC000871778371 589813729 /nfs/dbraw/zinc/81/37/29/589813729.db2.gz FTPQFCTUJSQNDL-UHFFFAOYSA-N 0 3 240.263 0.946 20 0 BCADHN Cn1ncc(CONC(=N)COC2CCC2)n1 ZINC000871778333 589814022 /nfs/dbraw/zinc/81/40/22/589814022.db2.gz DDRRQNKCKXDWPQ-UHFFFAOYSA-N 0 3 239.279 0.383 20 0 BCADHN CCN1CCN(C[C@@H](O)CC(C)(C)O)CC1 ZINC000871964754 589847423 /nfs/dbraw/zinc/84/74/23/589847423.db2.gz ZAFDHCTWBACFBV-NSHDSACASA-N 0 3 230.352 0.146 20 0 BCADHN CCCN(CCC1OCCO1)CC(=O)NC ZINC000123897456 589849603 /nfs/dbraw/zinc/84/96/03/589849603.db2.gz HDGFQANCGGEOAT-UHFFFAOYSA-N 0 3 230.308 0.207 20 0 BCADHN CCN1CCN(C[C@H](O)CC(C)(C)O)C[C@H]1C ZINC000871978140 589851001 /nfs/dbraw/zinc/85/10/01/589851001.db2.gz 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20 0 BCADHN CN(C)CCN(C)c1cc(Cl)n[nH]c1=O ZINC000872472246 589942830 /nfs/dbraw/zinc/94/28/30/589942830.db2.gz VUWSRUIEUUJWRH-UHFFFAOYSA-N 0 3 230.699 0.833 20 0 BCADHN CC[S@](=O)CCNCc1ccncc1 ZINC000124146292 589951386 /nfs/dbraw/zinc/95/13/86/589951386.db2.gz CXXMSYXCDVMBET-CQSZACIVSA-N 0 3 212.318 0.940 20 0 BCADHN CC[S@@](=O)CCNCc1c(C)n[nH]c1C ZINC000124152428 589951952 /nfs/dbraw/zinc/95/19/52/589951952.db2.gz QHXFEMQQXCFLGB-HNNXBMFYSA-N 0 3 229.349 0.885 20 0 BCADHN CCC(=O)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC000872616781 589956901 /nfs/dbraw/zinc/95/69/01/589956901.db2.gz FYYSKSVSUZQJBM-VHSXEESVSA-N 0 3 212.293 0.064 20 0 BCADHN C[S@](=O)CCCNCc1ccccn1 ZINC000124223537 589965896 /nfs/dbraw/zinc/96/58/96/589965896.db2.gz IYCXAWDFVARTNC-CQSZACIVSA-N 0 3 212.318 0.940 20 0 BCADHN CCc1cc(N(C)CCS(N)(=O)=O)ccn1 ZINC000872759851 589966425 /nfs/dbraw/zinc/96/64/25/589966425.db2.gz FHFGEMSDLSXNBE-UHFFFAOYSA-N 0 3 243.332 0.369 20 0 BCADHN CC1(C)CC(=O)N(CN2C[C@@H]3COC[C@@H]3C2)C1 ZINC000872786182 589970590 /nfs/dbraw/zinc/97/05/90/589970590.db2.gz UJQQFLUQSIRILQ-PHIMTYICSA-N 0 3 238.331 0.781 20 0 BCADHN C[C@@H](N=c1ncnc2[nH][n-]cc1-2)C1CC[NH2+]CC1 ZINC000872784006 589970594 /nfs/dbraw/zinc/97/05/94/589970594.db2.gz VSXZMVFBGMGKQU-MRVPVSSYSA-N 0 3 246.318 0.526 20 0 BCADHN C[C@H](N)c1cn([C@@H](C)C(=O)N2CCCC2)nn1 ZINC000124281590 589972720 /nfs/dbraw/zinc/97/27/20/589972720.db2.gz STVBQKUINRTFBL-IUCAKERBSA-N 0 3 237.307 0.481 20 0 BCADHN CC[C@@H](O)CNCc1ccc(C(=O)OC)n1C ZINC000873137076 589986478 /nfs/dbraw/zinc/98/64/78/589986478.db2.gz PCBYPPIWJHUEAF-SNVBAGLBSA-N 0 3 240.303 0.672 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1ccc2nccnc2c1 ZINC000873149501 589986767 /nfs/dbraw/zinc/98/67/67/589986767.db2.gz PMPMVGGBTRCSTQ-ZANVPECISA-N 0 3 247.298 0.461 20 0 BCADHN NC(=O)Cn1cc(CNCCC2CCC2)nn1 ZINC000873154015 589987312 /nfs/dbraw/zinc/98/73/12/589987312.db2.gz OSVNVXOAQFRBBX-UHFFFAOYSA-N 0 3 237.307 0.043 20 0 BCADHN O[C@H]1C[C@H](CNCc2cc3n(n2)CCC3)C1 ZINC000873178195 589990668 /nfs/dbraw/zinc/99/06/68/589990668.db2.gz OUWDXCJFUBBYBN-OTCDBFHCSA-N 0 3 221.304 0.690 20 0 BCADHN CN(CC(N)=O)Cc1cc2c(s1)CCNC2 ZINC000873202002 589993344 /nfs/dbraw/zinc/99/33/44/589993344.db2.gz JJNSBIVEEGGMKQ-UHFFFAOYSA-N 0 3 239.344 0.311 20 0 BCADHN CN1CCN(Cc2cnc(N)cn2)C(C)(C)C1 ZINC000873205279 589993961 /nfs/dbraw/zinc/99/39/61/589993961.db2.gz LUISOUFVNWUDPA-UHFFFAOYSA-N 0 3 235.335 0.585 20 0 BCADHN Nc1cnc(CN2CCNC[C@H]2C(F)F)cn1 ZINC000873210521 589994685 /nfs/dbraw/zinc/99/46/85/589994685.db2.gz IZBCRUPVLTYFAJ-QMMMGPOBSA-N 0 3 243.261 0.098 20 0 BCADHN Nc1cnc(CN2CC[C@@H]([C@H]3CCOC3)C2)cn1 ZINC000873209221 589995335 /nfs/dbraw/zinc/99/53/35/589995335.db2.gz KBIMRGVQVZEORP-MNOVXSKESA-N 0 3 248.330 0.917 20 0 BCADHN CC[C@@H](O)CNC1CN(C(=O)OC(C)(C)C)C1 ZINC000124477090 590022459 /nfs/dbraw/zinc/02/24/59/590022459.db2.gz UFAAPMJWGHHRTG-SNVBAGLBSA-N 0 3 244.335 0.966 20 0 BCADHN C[C@H](CC(N)=O)NC[C@H]1Cc2ccccc2CN1 ZINC000873294919 590023978 /nfs/dbraw/zinc/02/39/78/590023978.db2.gz VYNYPXCUXZPWCB-ZWNOBZJWSA-N 0 3 247.342 0.554 20 0 BCADHN CC[C@H](OC(=O)C1CCCN(C)C1=O)C(C)=O ZINC000873399270 590038278 /nfs/dbraw/zinc/03/82/78/590038278.db2.gz IQAMRZUTYDCJEP-UWVGGRQHSA-N 0 3 241.287 0.766 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)[C@]1(C)CCC(=O)N1 ZINC000873551276 590056913 /nfs/dbraw/zinc/05/69/13/590056913.db2.gz URJARKHOLMKZRG-CABZTGNLSA-N 0 3 242.319 0.539 20 0 BCADHN C[NH+](C)CC1(C(=O)[N-]C2=NCCS2)CC1 ZINC000873838057 590073803 /nfs/dbraw/zinc/07/38/03/590073803.db2.gz PTNZPOBNNDIRSB-UHFFFAOYSA-N 0 3 227.333 0.547 20 0 BCADHN CC(C)(C)N(CCC1OCCO1)CC(N)=O ZINC000124732869 590079943 /nfs/dbraw/zinc/07/99/43/590079943.db2.gz VZLFXLMKRINRKX-UHFFFAOYSA-N 0 3 230.308 0.335 20 0 BCADHN C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)C ZINC000873984519 590083450 /nfs/dbraw/zinc/08/34/50/590083450.db2.gz FGLPLMVQHLBYBI-SSDOTTSWSA-N 0 3 244.726 0.753 20 0 BCADHN C[C@H](CNC(=O)[C@H]1C[C@@H](O)C1)N1CCCCC1 ZINC000874112159 590092022 /nfs/dbraw/zinc/09/20/22/590092022.db2.gz QINVATYPSWLRJS-UTUOFQBUSA-N 0 3 240.347 0.748 20 0 BCADHN C[N@@H+]1CC[C@@H](CC(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000874261924 590100579 /nfs/dbraw/zinc/10/05/79/590100579.db2.gz CNYNEMXKNTXGSK-JQWIXIFHSA-N 0 3 242.319 0.903 20 0 BCADHN C[N@H+]1CC[C@@H](CC(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000874261924 590100582 /nfs/dbraw/zinc/10/05/82/590100582.db2.gz CNYNEMXKNTXGSK-JQWIXIFHSA-N 0 3 242.319 0.903 20 0 BCADHN CCOC(=O)[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC000124927974 590102289 /nfs/dbraw/zinc/10/22/89/590102289.db2.gz ALZDXEWQHDUDFQ-IUCAKERBSA-N 0 3 230.308 0.394 20 0 BCADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC000124928171 590103275 /nfs/dbraw/zinc/10/32/75/590103275.db2.gz ALZDXEWQHDUDFQ-DTWKUNHWSA-N 0 3 230.308 0.394 20 0 BCADHN CN(CCN1CCCC1)C(=O)CN1CCCC1 ZINC000874349655 590105240 /nfs/dbraw/zinc/10/52/40/590105240.db2.gz YJOHMCMTARZOJJ-UHFFFAOYSA-N 0 3 239.363 0.636 20 0 BCADHN CCN1CCCN(C(=O)CN2CCCC2)CC1 ZINC000874446341 590111190 /nfs/dbraw/zinc/11/11/90/590111190.db2.gz HJASWWBNQUIFBY-UHFFFAOYSA-N 0 3 239.363 0.636 20 0 BCADHN CN1CC[C@@H](CC(=O)NCCC[S@@](C)=O)C1 ZINC000874451889 590112220 /nfs/dbraw/zinc/11/22/20/590112220.db2.gz FKWXCUKLWHYMKN-MGPLVRAMSA-N 0 3 246.376 0.213 20 0 BCADHN CCc1cc(CNC(=O)CN2CCCC2)n[nH]1 ZINC000874463912 590113667 /nfs/dbraw/zinc/11/36/67/590113667.db2.gz NVZGFAHGBCEGLC-UHFFFAOYSA-N 0 3 236.319 0.684 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)[C@H]1C[C@@H](O)C1 ZINC000874468339 590113743 /nfs/dbraw/zinc/11/37/43/590113743.db2.gz HDMCZVHPSVXATR-AXFHLTTASA-N 0 3 228.336 0.460 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[C@@H](O)C1 ZINC000874823275 590141226 /nfs/dbraw/zinc/14/12/26/590141226.db2.gz OAEQIOGRUZUBDD-WRWGMCAJSA-N 0 3 238.331 0.452 20 0 BCADHN COC1(C(=O)N2CC[C@H]3[C@H]2CCCN3C)CC1 ZINC000874827013 590141810 /nfs/dbraw/zinc/14/18/10/590141810.db2.gz XXNZCUBBMSWTLT-WDEREUQCSA-N 0 3 238.331 0.861 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ncc[nH]1 ZINC000874826225 590142664 /nfs/dbraw/zinc/14/26/64/590142664.db2.gz NBMFFUBVTLNNIR-UWVGGRQHSA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)C(C)(C)CO ZINC000874835515 590143139 /nfs/dbraw/zinc/14/31/39/590143139.db2.gz ZMXCQBXMRZABPC-MNOVXSKESA-N 0 3 240.347 0.700 20 0 BCADHN COCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874837070 590143615 /nfs/dbraw/zinc/14/36/15/590143615.db2.gz GKSGLWAWXPQYMI-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCO1 ZINC000874831850 590143624 /nfs/dbraw/zinc/14/36/24/590143624.db2.gz BUXUBELSMPYHKX-TUAOUCFPSA-N 0 3 238.331 0.861 20 0 BCADHN C[C@@H](O)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874830162 590143748 /nfs/dbraw/zinc/14/37/48/590143748.db2.gz QIKAWTMWRJZTET-KXUCPTDWSA-N 0 3 212.293 0.062 20 0 BCADHN COCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874837072 590144040 /nfs/dbraw/zinc/14/40/40/590144040.db2.gz GKSGLWAWXPQYMI-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cncnc1 ZINC000874832425 590144122 /nfs/dbraw/zinc/14/41/22/590144122.db2.gz FLSINFYAQNIBJR-RYUDHWBXSA-N 0 3 246.314 0.785 20 0 BCADHN C[C@@H](O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874830159 590144309 /nfs/dbraw/zinc/14/43/09/590144309.db2.gz QIKAWTMWRJZTET-BBBLOLIVSA-N 0 3 212.293 0.062 20 0 BCADHN Cn1cnc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1 ZINC000874839555 590144830 /nfs/dbraw/zinc/14/48/30/590144830.db2.gz WUJGAXFKURHOFE-VXGBXAGGSA-N 0 3 248.330 0.729 20 0 BCADHN Cn1nccc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874841572 590145178 /nfs/dbraw/zinc/14/51/78/590145178.db2.gz CLHWSILCVACRGG-QWRGUYRKSA-N 0 3 248.330 0.729 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1c[nH]cn1 ZINC000874840638 590145205 /nfs/dbraw/zinc/14/52/05/590145205.db2.gz PYZUIDQWKHTQNF-WDEREUQCSA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cnc[nH]1 ZINC000874840638 590145206 /nfs/dbraw/zinc/14/52/06/590145206.db2.gz PYZUIDQWKHTQNF-WDEREUQCSA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccon1 ZINC000874843879 590145229 /nfs/dbraw/zinc/14/52/29/590145229.db2.gz PNKKZGAEVLLSIO-WDEREUQCSA-N 0 3 235.287 0.983 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cnccn1 ZINC000874850206 590145783 /nfs/dbraw/zinc/14/57/83/590145783.db2.gz PCUGVHKVHLFGAD-NEPJUHHUSA-N 0 3 246.314 0.785 20 0 BCADHN CO[C@]1(C)C[C@@H](NCCS(C)(=O)=O)C1(C)C ZINC000125194699 590151549 /nfs/dbraw/zinc/15/15/49/590151549.db2.gz DFZCDPXGVYVKFR-MWLCHTKSSA-N 0 3 249.376 0.824 20 0 BCADHN CN(C)CCNC(=O)N[C@H]1CC12CCC2 ZINC000876426841 590199233 /nfs/dbraw/zinc/19/92/33/590199233.db2.gz UCTLBJRPSOTOGD-VIFPVBQESA-N 0 3 211.309 0.790 20 0 BCADHN CCC(=O)N1CCOC[C@]1(COC)CN(C)C ZINC000876470648 590201525 /nfs/dbraw/zinc/20/15/25/590201525.db2.gz XHSKTEXIRULTRO-GFCCVEGCSA-N 0 3 244.335 0.202 20 0 BCADHN NCc1cccc(NC(=O)[C@H]2CCC(=O)O2)c1 ZINC000876503806 590203973 /nfs/dbraw/zinc/20/39/73/590203973.db2.gz REGYKPRNVSNXDO-SNVBAGLBSA-N 0 3 234.255 0.789 20 0 BCADHN C[C@H]1C[C@H](C)CN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876546607 590213574 /nfs/dbraw/zinc/21/35/74/590213574.db2.gz ZRXGEFLWZGEMGU-DCAQKATOSA-N 0 3 227.352 0.380 20 0 BCADHN C[C@@H](C[S@@](C)=O)N(C)CCC1OCCO1 ZINC000126028162 590215914 /nfs/dbraw/zinc/21/59/14/590215914.db2.gz RHPNTPLUXPFOPH-VFZGTOFNSA-N 0 3 235.349 0.448 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C1CC1)C1CCCC1 ZINC000876585753 590218894 /nfs/dbraw/zinc/21/88/94/590218894.db2.gz VDTXDQWGPIIIOI-LBPRGKRZSA-N 0 3 239.363 0.809 20 0 BCADHN CC(C)N(C(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000876597732 590220224 /nfs/dbraw/zinc/22/02/24/590220224.db2.gz KCBQILAUYBMQJV-JTQLQIEISA-N 0 3 213.325 0.275 20 0 BCADHN CC[C@@H](C)[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000876613505 590221867 /nfs/dbraw/zinc/22/18/67/590221867.db2.gz DHDMNRUBDSGVGL-BBBLOLIVSA-N 0 3 215.341 0.426 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@@H](C)NCC ZINC000876652406 590226432 /nfs/dbraw/zinc/22/64/32/590226432.db2.gz IKJVTSGOMCWFHI-SECBINFHSA-N 0 3 230.308 0.444 20 0 BCADHN Cc1cccc(C)c1CNC(=O)[C@@H](N)CN(C)C ZINC000876655641 590226854 /nfs/dbraw/zinc/22/68/54/590226854.db2.gz QASHBKWLKNQBLC-ZDUSSCGKSA-N 0 3 249.358 0.809 20 0 BCADHN CC[C@@H](C)C[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000876667725 590227936 /nfs/dbraw/zinc/22/79/36/590227936.db2.gz LMQJCUWQPPLIIU-VWYCJHECSA-N 0 3 229.368 0.816 20 0 BCADHN C[C@@H]1c2ccccc2CN1C(=O)[C@@H](N)CN(C)C ZINC000876669326 590228549 /nfs/dbraw/zinc/22/85/49/590228549.db2.gz IZZLQRLKEJMIFA-MFKMUULPSA-N 0 3 247.342 0.979 20 0 BCADHN CO[C@@H](CNC(=O)[C@@H](N)CN(C)C)C(C)(C)C ZINC000876696900 590231705 /nfs/dbraw/zinc/23/17/05/590231705.db2.gz LIICCVINVGTVDP-UWVGGRQHSA-N 0 3 245.367 0.053 20 0 BCADHN [NH3+][C@@H]1CC=C(C(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000876705845 590232164 /nfs/dbraw/zinc/23/21/64/590232164.db2.gz CDHHKXLJOAJCDN-NXEZZACHSA-N 0 3 226.276 0.608 20 0 BCADHN CC/C=C(/F)C(=O)NCCNCCOC ZINC000876791623 590241971 /nfs/dbraw/zinc/24/19/71/590241971.db2.gz GWCFAKJXTSHBHO-RUDMXATFSA-N 0 3 218.272 0.602 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)C12CC(C1)C2 ZINC000876865351 590251466 /nfs/dbraw/zinc/25/14/66/590251466.db2.gz YCCNSVYXJPFAOP-CCNFQMFXSA-N 0 3 230.258 0.900 20 0 BCADHN Cc1nocc1C(=O)N[C@H]1CNCCC1(F)F ZINC000876866358 590251479 /nfs/dbraw/zinc/25/14/79/590251479.db2.gz RYQZALHNKIMAFR-QMMMGPOBSA-N 0 3 245.229 0.710 20 0 BCADHN CCC[C@](C)(N)C(=O)NCc1cnn(CC)n1 ZINC000876989826 590265668 /nfs/dbraw/zinc/26/56/68/590265668.db2.gz HLSWKCYIFOQQCN-NSHDSACASA-N 0 3 239.323 0.432 20 0 BCADHN CCNCC(=O)NCC[C@H]1CCCOC1 ZINC000876990831 590266130 /nfs/dbraw/zinc/26/61/30/590266130.db2.gz NOBNGUVHJXRWNQ-SNVBAGLBSA-N 0 3 214.309 0.529 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1CC=C(C(=O)OC)C1 ZINC000877001496 590267340 /nfs/dbraw/zinc/26/73/40/590267340.db2.gz CUVYRKRIRLYLPH-DTWKUNHWSA-N 0 3 226.276 0.102 20 0 BCADHN CCOC(=O)C1=CC[C@H](NC(=O)[C@H](C)NC)C1 ZINC000877026148 590271086 /nfs/dbraw/zinc/27/10/86/590271086.db2.gz FVYZRSMNNLXEAK-WPRPVWTQSA-N 0 3 240.303 0.362 20 0 BCADHN CCNCC(=O)N[C@@H]1CC=C(C(=O)OCC)C1 ZINC000877028716 590271659 /nfs/dbraw/zinc/27/16/59/590271659.db2.gz ZCFZFXYBBMKBHX-SNVBAGLBSA-N 0 3 240.303 0.364 20 0 BCADHN Cc1cc(O)cc(NC(=O)C2=NO[C@H](CN)C2)c1 ZINC000877088854 590281137 /nfs/dbraw/zinc/28/11/37/590281137.db2.gz KMEHGZVREDFVQP-JTQLQIEISA-N 0 3 249.270 0.743 20 0 BCADHN NS(=O)(=O)c1cccc(CNCCCF)c1 ZINC000877092093 590281427 /nfs/dbraw/zinc/28/14/27/590281427.db2.gz UJFHYYBXTSAYDI-UHFFFAOYSA-N 0 3 246.307 0.783 20 0 BCADHN COC(=O)N1CC(NC[C@@H](OC)C2CC2)C1 ZINC000877097344 590282107 /nfs/dbraw/zinc/28/21/07/590282107.db2.gz BGZRABOLUKZVAK-SNVBAGLBSA-N 0 3 228.292 0.452 20 0 BCADHN C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000877109882 590286740 /nfs/dbraw/zinc/28/67/40/590286740.db2.gz SWHKASBCUZEVCF-OIBJUYFYSA-N 0 3 235.287 0.455 20 0 BCADHN COc1cncc(NC(=O)C(C)(C)N)c1 ZINC000877131568 590290587 /nfs/dbraw/zinc/29/05/87/590290587.db2.gz DNTYWOXHQLHYJF-UHFFFAOYSA-N 0 3 209.249 0.766 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877175613 590296569 /nfs/dbraw/zinc/29/65/69/590296569.db2.gz AWIJZJIMLIMZPE-IZOAKFFESA-N 0 3 224.304 0.263 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@]2(F)CCNC2)[C@@H](C)O1 ZINC000877173263 590296718 /nfs/dbraw/zinc/29/67/18/590296718.db2.gz BHSHAMPLADMBAN-REIXXSIJSA-N 0 3 230.283 0.370 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877178382 590297278 /nfs/dbraw/zinc/29/72/78/590297278.db2.gz UKNRJZULEFAWDM-AYAQEJOPSA-N 0 3 238.331 0.524 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1F ZINC000877178857 590297609 /nfs/dbraw/zinc/29/76/09/590297609.db2.gz BPCHWISYEIHKEW-LPEHRKFASA-N 0 3 231.315 0.272 20 0 BCADHN C[C@H](N)C(=O)N1CCCCCCNC(=O)CC1 ZINC000877193381 590299620 /nfs/dbraw/zinc/29/96/20/590299620.db2.gz BVGJJCJOFKSUJS-JTQLQIEISA-N 0 3 241.335 0.243 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1ccnc(F)c1 ZINC000877201878 590300320 /nfs/dbraw/zinc/30/03/20/590300320.db2.gz SBZOZAOEBOJHTN-SNVBAGLBSA-N 0 3 237.278 0.835 20 0 BCADHN Cc1ccc(CNC(=O)[C@]2(F)CCNC2)o1 ZINC000877202180 590300545 /nfs/dbraw/zinc/30/05/45/590300545.db2.gz CNTWIPLFFJZKMJ-NSHDSACASA-N 0 3 226.251 0.906 20 0 BCADHN O=C(NCc1ccnc(F)c1)[C@@]1(F)CCNC1 ZINC000877202476 590300608 /nfs/dbraw/zinc/30/06/08/590300608.db2.gz RVVYYCGIOGAIHT-LLVKDONJSA-N 0 3 241.241 0.539 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1ccnc(F)c1 ZINC000877202472 590300676 /nfs/dbraw/zinc/30/06/76/590300676.db2.gz RLYNWNHJQMAJQF-JTQLQIEISA-N 0 3 225.267 0.820 20 0 BCADHN CC1(F)CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000877203808 590300935 /nfs/dbraw/zinc/30/09/35/590300935.db2.gz RFUWAUCBACJTOM-MRVPVSSYSA-N 0 3 243.282 0.441 20 0 BCADHN C[C@H](CC1CCC1)NC(=O)C1=NO[C@@H](CN)C1 ZINC000877204632 590300971 /nfs/dbraw/zinc/30/09/71/590300971.db2.gz KGQLOSAWZGVUJS-PSASIEDQSA-N 0 3 239.319 0.785 20 0 BCADHN CCNCC(=O)N1CCOc2cc(N)ccc2C1 ZINC000877210178 590301076 /nfs/dbraw/zinc/30/10/76/590301076.db2.gz ZMFBHKODNXRGDF-UHFFFAOYSA-N 0 3 249.314 0.599 20 0 BCADHN NCC(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000877249169 590303435 /nfs/dbraw/zinc/30/34/35/590303435.db2.gz IMABZDICCBDBLV-YUMQZZPRSA-N 0 3 200.307 0.157 20 0 BCADHN NC1(C(=O)N2CC[C@@H]3CSC[C@H]3C2)CC1 ZINC000877248812 590303483 /nfs/dbraw/zinc/30/34/83/590303483.db2.gz FGEMUZNYCOGZGK-RKDXNWHRSA-N 0 3 226.345 0.689 20 0 BCADHN CCNCC(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000877250421 590303571 /nfs/dbraw/zinc/30/35/71/590303571.db2.gz ILIJDYVFWAHRGC-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN NCC(=O)NC1([C@H]2CCCCO2)CCC1 ZINC000877272004 590305336 /nfs/dbraw/zinc/30/53/36/590305336.db2.gz ZHFOPRXUCFTDLX-SECBINFHSA-N 0 3 212.293 0.553 20 0 BCADHN CNC(=O)CN(Cc1ccccc1)C(=O)[C@H](C)N ZINC000877287906 590307413 /nfs/dbraw/zinc/30/74/13/590307413.db2.gz CPEXRKBFSXSDGB-JTQLQIEISA-N 0 3 249.314 0.108 20 0 BCADHN N[C@@H](C(=O)N1CCO[C@H](C(F)F)C1)C1CCC1 ZINC000877299003 590308619 /nfs/dbraw/zinc/30/86/19/590308619.db2.gz ILTIWPPZEQASPZ-DTWKUNHWSA-N 0 3 248.273 0.606 20 0 BCADHN CCN[C@H](C)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877300730 590309333 /nfs/dbraw/zinc/30/93/33/590309333.db2.gz ZLCULAYDBVAMMO-HTQZYQBOSA-N 0 3 236.262 0.477 20 0 BCADHN CC(=O)C1CCN(C(=O)[C@H]2NCC2(C)C)CC1 ZINC000877300243 590309408 /nfs/dbraw/zinc/30/94/08/590309408.db2.gz ATHGCPKQQDCFPP-LLVKDONJSA-N 0 3 238.331 0.812 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877308832 590310886 /nfs/dbraw/zinc/31/08/86/590310886.db2.gz CWJOGTRWDFEBSI-XKNYDFJKSA-N 0 3 212.293 0.407 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCC[C@@H]1C=CCC1 ZINC000877308074 590311814 /nfs/dbraw/zinc/31/18/14/590311814.db2.gz OOOZPRBOCHAZET-NEPJUHHUSA-N 0 3 239.363 0.738 20 0 BCADHN NC1(C(=O)NC[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000877311345 590312828 /nfs/dbraw/zinc/31/28/28/590312828.db2.gz VWDVQFOJVUEYOC-KXUCPTDWSA-N 0 3 224.304 0.552 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCC[C@H]1CCOC1=O ZINC000877311607 590313057 /nfs/dbraw/zinc/31/30/57/590313057.db2.gz KWCYITBMFVCWIE-VHSXEESVSA-N 0 3 242.319 0.429 20 0 BCADHN O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1cc(=O)[n-]cn1 ZINC000877386182 590320751 /nfs/dbraw/zinc/32/07/51/590320751.db2.gz PQVLWKVKAZSAPT-SKDRFNHKSA-N 0 3 248.286 0.197 20 0 BCADHN Cc1nccnc1[C@@H](C)NC(=O)[C@@H]1NCC1(C)C ZINC000877431981 590325838 /nfs/dbraw/zinc/32/58/38/590325838.db2.gz QOQUXBOXODPKSL-KOLCDFICSA-N 0 3 248.330 0.960 20 0 BCADHN Cc1nccnc1[C@H](C)NC(=O)CNC(C)C ZINC000877431431 590326318 /nfs/dbraw/zinc/32/63/18/590326318.db2.gz FWHINRHSKBRUCO-JTQLQIEISA-N 0 3 236.319 0.960 20 0 BCADHN COCC1(N(C)C(=O)[C@@]2(F)CCNC2)CCC1 ZINC000877454217 590329815 /nfs/dbraw/zinc/32/98/15/590329815.db2.gz UVLMRDMDCAXQNV-GFCCVEGCSA-N 0 3 244.310 0.716 20 0 BCADHN CC[C@H](NC(=O)C1=NO[C@H](CN)C1)C(F)F ZINC000877454907 590330343 /nfs/dbraw/zinc/33/03/43/590330343.db2.gz CULAYZRUBUZEND-WDSKDSINSA-N 0 3 235.234 0.250 20 0 BCADHN COc1cccc(C)c1CNC[C@@H](O)CO ZINC000877461498 590331757 /nfs/dbraw/zinc/33/17/57/590331757.db2.gz BFOCMVSRVGKJFH-SNVBAGLBSA-N 0 3 225.288 0.446 20 0 BCADHN CC1(CN2CC[C@@H](S(N)(=O)=O)C2)CCCC1 ZINC000877464618 590333766 /nfs/dbraw/zinc/33/37/66/590333766.db2.gz MYBOHONJDMBUPN-SNVBAGLBSA-N 0 3 246.376 0.930 20 0 BCADHN C[C@H](CCc1cccnc1)N[C@H](C)C(N)=O ZINC000877481161 590337239 /nfs/dbraw/zinc/33/72/39/590337239.db2.gz WVNOLUVMNUDPTG-NXEZZACHSA-N 0 3 221.304 0.866 20 0 BCADHN CC[C@@H](C)[C@@H](CN[C@H](C)C(N)=O)OC ZINC000877481076 590337269 /nfs/dbraw/zinc/33/72/69/590337269.db2.gz UFMHCXGOGSBACC-IWSPIJDZSA-N 0 3 202.298 0.511 20 0 BCADHN CCOC1CC(CNCc2cnn(C)n2)C1 ZINC000877523774 590346391 /nfs/dbraw/zinc/34/63/91/590346391.db2.gz YJGRNPQALCPWFA-UHFFFAOYSA-N 0 3 224.308 0.720 20 0 BCADHN CC(C)S(=O)(=O)CCNCCC[C@@H]1CCO1 ZINC000877537238 590350793 /nfs/dbraw/zinc/35/07/93/590350793.db2.gz JXXRQCFIXNHMKT-LLVKDONJSA-N 0 3 249.376 0.968 20 0 BCADHN O=S(=O)(CCNCCC[C@H]1CCO1)C1CC1 ZINC000877591077 590368170 /nfs/dbraw/zinc/36/81/70/590368170.db2.gz OMVOBGVCAUYTAL-JTQLQIEISA-N 0 3 247.360 0.722 20 0 BCADHN C[C@H](NCCS(=O)(=O)C1CC1)[C@@H]1CCCO1 ZINC000877590667 590368530 /nfs/dbraw/zinc/36/85/30/590368530.db2.gz CXYLCDRQRYJWJE-ONGXEEELSA-N 0 3 247.360 0.721 20 0 BCADHN CO[C@@H](C)[C@@H](C)NCCS(=O)(=O)C1CC1 ZINC000877591058 590369458 /nfs/dbraw/zinc/36/94/58/590369458.db2.gz OESGJLGIVUABJI-BDAKNGLRSA-N 0 3 235.349 0.577 20 0 BCADHN O=c1c(CN[C@@H]2CC[C@H]2O)cccn1C(F)F ZINC000877597148 590371071 /nfs/dbraw/zinc/37/10/71/590371071.db2.gz BGKDVDVSOIAJFJ-RKDXNWHRSA-N 0 3 244.241 0.856 20 0 BCADHN COC(=O)c1cc(CN[C@@H]2CC[C@H]2O)[nH]c1C ZINC000877597775 590371109 /nfs/dbraw/zinc/37/11/09/590371109.db2.gz YHAMCGOXNYRSRL-GHMZBOCLSA-N 0 3 238.287 0.723 20 0 BCADHN CCN(OC)C(=O)CNCCC1CCOCC1 ZINC000877606890 590371937 /nfs/dbraw/zinc/37/19/37/590371937.db2.gz NZMFTZMRGWSNET-UHFFFAOYSA-N 0 3 244.335 0.803 20 0 BCADHN CCN(OC)C(=O)CNC[C@](C)(CC)OC ZINC000877606518 590372160 /nfs/dbraw/zinc/37/21/60/590372160.db2.gz DFIUQCLFTNAYII-NSHDSACASA-N 0 3 232.324 0.801 20 0 BCADHN CCON(C)C(=O)CNC[C@@](C)(CC)OC ZINC000877612649 590373095 /nfs/dbraw/zinc/37/30/95/590373095.db2.gz SNFXFPGNXVDLJS-LLVKDONJSA-N 0 3 232.324 0.801 20 0 BCADHN CO[C@]1(CN2C[C@H]3[C@@H](C2)C3(F)F)CCOC1 ZINC000877614876 590374906 /nfs/dbraw/zinc/37/49/06/590374906.db2.gz JLOCSZXCHBPSMN-AEJSXWLSSA-N 0 3 233.258 0.989 20 0 BCADHN CCC[C@H](CN1CCCN(C=O)CC1)OC ZINC000877641850 590383013 /nfs/dbraw/zinc/38/30/13/590383013.db2.gz CBEOOCBEBRSXCJ-GFCCVEGCSA-N 0 3 228.336 0.966 20 0 BCADHN CSC(C)(C)CCN(CCO)CCO ZINC000877648895 590384237 /nfs/dbraw/zinc/38/42/37/590384237.db2.gz KWCWMKUEUAGUNI-UHFFFAOYSA-N 0 3 221.366 0.805 20 0 BCADHN CCC[C@H](CN[C@@H](C)C(=O)N(C)OC)OC ZINC000877659005 590385808 /nfs/dbraw/zinc/38/58/08/590385808.db2.gz GTMUJNPVXXHQSX-VHSXEESVSA-N 0 3 232.324 0.799 20 0 BCADHN O=C1OC[C@H]2CN(Cc3ccc(=O)[nH]c3)C[C@@H]12 ZINC000877660639 590386579 /nfs/dbraw/zinc/38/65/79/590386579.db2.gz PALWNYVTJKVMNW-NXEZZACHSA-N 0 3 234.255 0.392 20 0 BCADHN C[C@]12CN(Cc3ccoc3)C[C@@]1(C)C(=O)NC2=O ZINC000877668492 590389388 /nfs/dbraw/zinc/38/93/88/590389388.db2.gz QHDGPEWYIXCSCH-BETUJISGSA-N 0 3 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C[C@H](CNC(=O)COC1CC1)N(C)C1CC1 ZINC000878690039 590610307 /nfs/dbraw/zinc/61/03/07/590610307.db2.gz QIYNOSGHYWUIFH-SECBINFHSA-N 0 3 226.320 0.764 20 0 BCADHN CC(C)[C@H](O)CCN[C@@H](CO)c1ccnn1C ZINC000878703739 590612533 /nfs/dbraw/zinc/61/25/33/590612533.db2.gz ZHVIJUCRYWLGMP-CMPLNLGQSA-N 0 3 241.335 0.450 20 0 BCADHN Cc1nc([C@@H]2CCN(Cc3c[nH]cn3)C2)n[nH]1 ZINC000878711452 590614028 /nfs/dbraw/zinc/61/40/28/590614028.db2.gz OWFBJIGIJYBCCR-SECBINFHSA-N 0 3 232.291 0.826 20 0 BCADHN Cc1n[nH]c([C@@H]2CCN(Cc3c[nH]cn3)C2)n1 ZINC000878711452 590614030 /nfs/dbraw/zinc/61/40/30/590614030.db2.gz OWFBJIGIJYBCCR-SECBINFHSA-N 0 3 232.291 0.826 20 0 BCADHN CC(C)[C@H](O)CCN1CC[C@@H](O)[C@H](CO)C1 ZINC000878714201 590614344 /nfs/dbraw/zinc/61/43/44/590614344.db2.gz KLFXMHYQFKBEMF-QJPTWQEYSA-N 0 3 231.336 0.069 20 0 BCADHN CC1(C(N)=O)CN(C[C@H]2CC3(CCC3)CO2)C1 ZINC000878757480 590618884 /nfs/dbraw/zinc/61/88/84/590618884.db2.gz NBVFXVJTDXKHRC-SNVBAGLBSA-N 0 3 238.331 0.753 20 0 BCADHN CO[C@@H]1COC[C@H]1NCC[C@@H](O)C(C)C ZINC000878761619 590619228 /nfs/dbraw/zinc/61/92/28/590619228.db2.gz PDKSJZRGESRDCC-GMTAPVOTSA-N 0 3 217.309 0.397 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878761298 590619251 /nfs/dbraw/zinc/61/92/51/590619251.db2.gz JVPYJDBVUCDOJW-RXGFPQBGSA-N 0 3 241.331 0.947 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878761294 590619494 /nfs/dbraw/zinc/61/94/94/590619494.db2.gz JVPYJDBVUCDOJW-KIJLLGNVSA-N 0 3 241.331 0.947 20 0 BCADHN CCN(CCSC)CCn1cnnn1 ZINC000878771279 590620542 /nfs/dbraw/zinc/62/05/42/590620542.db2.gz HRPKZLKQWGGCED-UHFFFAOYSA-N 0 3 215.326 0.358 20 0 BCADHN FC1(F)C[C@]12CCN(CCn1cnnn1)C2 ZINC000878813504 590627158 /nfs/dbraw/zinc/62/71/58/590627158.db2.gz LEKVYOSTCCBXPE-QMMMGPOBSA-N 0 3 229.234 0.404 20 0 BCADHN Cn1nnnc1CCN1CC[C@]2(CC2(F)F)C1 ZINC000878813423 590627470 /nfs/dbraw/zinc/62/74/70/590627470.db2.gz KEPMNUWGFBTNFH-VIFPVBQESA-N 0 3 243.261 0.484 20 0 BCADHN CN1CCN([C@H]2CCOC2=O)C[C@H]1C(C)(C)C ZINC000878842376 590631592 /nfs/dbraw/zinc/63/15/92/590631592.db2.gz PSMQRWIWNFOTJR-QWRGUYRKSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H](O)CN(C[C@H](O)CC(C)(C)O)C1CC1 ZINC000878848744 590633024 /nfs/dbraw/zinc/63/30/24/590633024.db2.gz AIDUUIGANUNYRO-GXSJLCMTSA-N 0 3 231.336 0.354 20 0 BCADHN c1nnnn1CCN1C[C@@H]2CCCC[C@@H]21 ZINC000878850086 590633650 /nfs/dbraw/zinc/63/36/50/590633650.db2.gz RVKJWOXGVGLNTL-UWVGGRQHSA-N 0 3 207.281 0.548 20 0 BCADHN C[C@@]1(CO)C[C@@H](O)CN1CCOC(F)F ZINC000878980471 590666271 /nfs/dbraw/zinc/66/62/71/590666271.db2.gz APFFAMRAWVPYIL-APPZFPTMSA-N 0 3 225.235 0.043 20 0 BCADHN C[C@]1(CO)C[C@H](O)CN1CCOC(F)F ZINC000878980473 590666588 /nfs/dbraw/zinc/66/65/88/590666588.db2.gz APFFAMRAWVPYIL-IONNQARKSA-N 0 3 225.235 0.043 20 0 BCADHN CC(C)[C@H](O)CCN1CCN(C)C[C@@H]1CO ZINC000879001099 590673729 /nfs/dbraw/zinc/67/37/29/590673729.db2.gz PHAVNMDAILXPIP-VXGBXAGGSA-N 0 3 230.352 0.002 20 0 BCADHN C[C@@H](CN1C[C@H](O)C[C@H]1C(N)=O)C(C)(C)C ZINC000879013747 590677266 /nfs/dbraw/zinc/67/72/66/590677266.db2.gz PXEVVKRRYOGEDZ-AEJSXWLSSA-N 0 3 228.336 0.589 20 0 BCADHN COCCN1CCC([C@H](F)C(N)=O)CC1 ZINC000879041612 590683555 /nfs/dbraw/zinc/68/35/55/590683555.db2.gz HYCALRYDOZTNRL-VIFPVBQESA-N 0 3 218.272 0.168 20 0 BCADHN COCCN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879041611 590684580 /nfs/dbraw/zinc/68/45/80/590684580.db2.gz HYCALRYDOZTNRL-SECBINFHSA-N 0 3 218.272 0.168 20 0 BCADHN CC(C)[C@@H](O)CCN1CCC[C@H]1C(N)=O ZINC000879037671 590684707 /nfs/dbraw/zinc/68/47/07/590684707.db2.gz FAQDFCKZDRHWEZ-UWVGGRQHSA-N 0 3 214.309 0.343 20 0 BCADHN NC(=O)[C@H](F)C1CCN(C[C@H]2CCCO2)CC1 ZINC000879046335 590685338 /nfs/dbraw/zinc/68/53/38/590685338.db2.gz ARBOQVDABCEKSJ-GHMZBOCLSA-N 0 3 244.310 0.701 20 0 BCADHN NC(=O)[C@H](F)C1CCN(C[C@@H](O)C2CC2)CC1 ZINC000879043125 590685443 /nfs/dbraw/zinc/68/54/43/590685443.db2.gz FESLPRNCZSYOBF-GHMZBOCLSA-N 0 3 244.310 0.293 20 0 BCADHN CSCCN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879042729 590685850 /nfs/dbraw/zinc/68/58/50/590685850.db2.gz VCVIPBGEJGODFW-SECBINFHSA-N 0 3 234.340 0.885 20 0 BCADHN CC[C@@H](O)CN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044151 590685930 /nfs/dbraw/zinc/68/59/30/590685930.db2.gz PXLHYHOKFFBTGF-NXEZZACHSA-N 0 3 232.299 0.293 20 0 BCADHN CC(C)N1CCC([C@H](F)C(N)=O)CC1 ZINC000879047341 590686580 /nfs/dbraw/zinc/68/65/80/590686580.db2.gz NUQYNNBZMFJFDB-VIFPVBQESA-N 0 3 202.273 0.930 20 0 BCADHN NC(=O)[C@@H](F)C1CCN(CCCCO)CC1 ZINC000879048489 590687206 /nfs/dbraw/zinc/68/72/06/590687206.db2.gz VGKQCVQPRUCLIU-JTQLQIEISA-N 0 3 232.299 0.294 20 0 BCADHN COC[C@](C)(CO)NC[C@H](O)c1ccccn1 ZINC000879162917 590706732 /nfs/dbraw/zinc/70/67/32/590706732.db2.gz OMYVYVCXVBQKCF-RYUDHWBXSA-N 0 3 240.303 0.102 20 0 BCADHN CCCN(CCN(C)C)C(=O)COC1CC1 ZINC000879203751 590713655 /nfs/dbraw/zinc/71/36/55/590713655.db2.gz JQWNJVCLEXJGHO-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN NC(=O)Cc1cccc2c1CCN(CCO)C2 ZINC000879229783 590718194 /nfs/dbraw/zinc/71/81/94/590718194.db2.gz CMCZIIAMIQOMPN-UHFFFAOYSA-N 0 3 234.299 0.065 20 0 BCADHN CO[C@H]1CC[C@H](C)N(CCc2nnnn2C)C1 ZINC000879327848 590748408 /nfs/dbraw/zinc/74/84/08/590748408.db2.gz ZREDXPGBGADDDY-UWVGGRQHSA-N 0 3 239.323 0.252 20 0 BCADHN CNC(=O)NC[C@@H]1CCCCN1CCCO ZINC000879333401 590749720 /nfs/dbraw/zinc/74/97/20/590749720.db2.gz AURRDGSXELGKMV-JTQLQIEISA-N 0 3 229.324 0.152 20 0 BCADHN CO[C@H](C)CN(CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879486735 590779659 /nfs/dbraw/zinc/77/96/59/590779659.db2.gz PUOVSJBELXASTQ-SKDRFNHKSA-N 0 3 240.347 0.997 20 0 BCADHN COC(=O)C1=NO[C@@]2(CCN(CCCF)C2)C1 ZINC000879483463 590780361 /nfs/dbraw/zinc/78/03/61/590780361.db2.gz LMYJLWNUPFRBAS-NSHDSACASA-N 0 3 244.266 0.740 20 0 BCADHN C[C@H](O)CCN(CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487906 590781088 /nfs/dbraw/zinc/78/10/88/590781088.db2.gz NTKVZSPPWJKTMR-JOYOIKCWSA-N 0 3 240.347 0.733 20 0 BCADHN C[C@H](O)CN(CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879486859 590781535 /nfs/dbraw/zinc/78/15/35/590781535.db2.gz QUVSRVGUAZNPQL-KWQFWETISA-N 0 3 226.320 0.343 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)[C@H]1CCC(=O)O1 ZINC000879537110 590796083 /nfs/dbraw/zinc/79/60/83/590796083.db2.gz RWDNYIFEFSDLPX-NXEZZACHSA-N 0 3 240.303 0.293 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)COC1CC1 ZINC000879537126 590796828 /nfs/dbraw/zinc/79/68/28/590796828.db2.gz SFQFIFVDTOSGMW-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CN(C)C1(CNC(=O)Nc2cnsn2)CC1 ZINC000879548665 590797718 /nfs/dbraw/zinc/79/77/18/590797718.db2.gz GGEGBNWSSSRMRY-UHFFFAOYSA-N 0 3 241.320 0.754 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@H]2CSC[C@H]2C1 ZINC000879555508 590798628 /nfs/dbraw/zinc/79/86/28/590798628.db2.gz DSWHFXLXWHAYMM-HRDYMLBCSA-N 0 3 214.334 0.545 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000879555510 590799458 /nfs/dbraw/zinc/79/94/58/590799458.db2.gz DSWHFXLXWHAYMM-VGMNWLOBSA-N 0 3 214.334 0.545 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@@H]2CSC[C@H]2C1 ZINC000879558918 590802611 /nfs/dbraw/zinc/80/26/11/590802611.db2.gz MCWLMSARUFVJLW-BBBLOLIVSA-N 0 3 226.345 0.560 20 0 BCADHN CC1(C)CC[C@H](CN2CC[C@@H](O)[C@@H](O)C2)OC1 ZINC000879608779 590827323 /nfs/dbraw/zinc/82/73/23/590827323.db2.gz ZYVVIAPBOXNMSR-UTUOFQBUSA-N 0 3 243.347 0.619 20 0 BCADHN CC(C)(C)OC1CC(N2CC[C@@H](O)[C@@H](O)C2)C1 ZINC000879609025 590827902 /nfs/dbraw/zinc/82/79/02/590827902.db2.gz KIYSXXALOGXZMW-HCWSGVFWSA-N 0 3 243.347 0.760 20 0 BCADHN CCOC(=O)CCCCN1CC[C@@H](O)[C@@H](O)C1 ZINC000879611074 590830690 /nfs/dbraw/zinc/83/06/90/590830690.db2.gz DCIORQILBDWDPS-MNOVXSKESA-N 0 3 245.319 0.147 20 0 BCADHN CC(C)CCOCCN1CC[C@@H](O)[C@@H](O)C1 ZINC000879612753 590831029 /nfs/dbraw/zinc/83/10/29/590831029.db2.gz MTXQKZUMSMONPV-NEPJUHHUSA-N 0 3 231.336 0.477 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@H](O)CC(C)(C)C1 ZINC000879617655 590832628 /nfs/dbraw/zinc/83/26/28/590832628.db2.gz QLJRKHZZAKWCNB-VXGBXAGGSA-N 0 3 245.363 0.865 20 0 BCADHN CCOC[C@H](O)CN1C[C@@H](O)CC(C)(C)C1 ZINC000879619631 590833980 /nfs/dbraw/zinc/83/39/80/590833980.db2.gz YAFHCPLUYGEYDA-WDEREUQCSA-N 0 3 231.336 0.477 20 0 BCADHN CC1(C)C[C@@H](O)CN([C@@H]2CCCNC2=O)C1 ZINC000879622680 590835931 /nfs/dbraw/zinc/83/59/31/590835931.db2.gz LZQUHNYEKGHWBW-NXEZZACHSA-N 0 3 226.320 0.358 20 0 BCADHN CC1(C)C[C@@H](O)CN([C@H]2CCCNC2=O)C1 ZINC000879622683 590836643 /nfs/dbraw/zinc/83/66/43/590836643.db2.gz LZQUHNYEKGHWBW-ZJUUUORDSA-N 0 3 226.320 0.358 20 0 BCADHN CC1(C)C[C@H](O)CN(CCc2cn[nH]n2)C1 ZINC000879624663 590837666 /nfs/dbraw/zinc/83/76/66/590837666.db2.gz YXMXOLRAHWTICH-JTQLQIEISA-N 0 3 224.308 0.440 20 0 BCADHN C[S@@](=O)CCN1C[C@H](O)CC(C)(C)C1 ZINC000879624594 590837890 /nfs/dbraw/zinc/83/78/90/590837890.db2.gz XLMJKGCEVDYZGK-YMTOWFKASA-N 0 3 219.350 0.458 20 0 BCADHN COC(=O)[C@@](C)(O)CN1C[C@@H](O)CC(C)(C)C1 ZINC000879624197 590838503 /nfs/dbraw/zinc/83/85/03/590838503.db2.gz OLXSEQQOBCWIGQ-CABZTGNLSA-N 0 3 245.319 0.003 20 0 BCADHN CC1(C)C[C@@H](O)CN(C[C@H]2CCC(=O)O2)C1 ZINC000879624601 590838796 /nfs/dbraw/zinc/83/87/96/590838796.db2.gz XSHJXUBVRIRYMX-NXEZZACHSA-N 0 3 227.304 0.785 20 0 BCADHN CC1(C)C[C@H](O)CN(C[C@@H]2CCC(=O)O2)C1 ZINC000879624602 590838976 /nfs/dbraw/zinc/83/89/76/590838976.db2.gz XSHJXUBVRIRYMX-UWVGGRQHSA-N 0 3 227.304 0.785 20 0 BCADHN CC(C)(O)C1CCN(CCc2cn[nH]n2)CC1 ZINC000879628248 590839632 /nfs/dbraw/zinc/83/96/32/590839632.db2.gz NAQNDUOOTLXFTB-UHFFFAOYSA-N 0 3 238.335 0.830 20 0 BCADHN C[C@@H](NCCc1cn[nH]n1)c1ccnn1C ZINC000879686964 590847894 /nfs/dbraw/zinc/84/78/94/590847894.db2.gz MQBMGQSGVZWAKA-MRVPVSSYSA-N 0 3 220.280 0.432 20 0 BCADHN C[C@@H](NC[C@H]1CCC(=O)O1)c1ccnn1C ZINC000879686963 590848768 /nfs/dbraw/zinc/84/87/68/590848768.db2.gz MPHZBHVPQYLQMC-RKDXNWHRSA-N 0 3 223.276 0.776 20 0 BCADHN C[C@H](c1cccnc1)N1C[C@H](CO)[C@H](CO)C1 ZINC000879694286 590850602 /nfs/dbraw/zinc/85/06/02/590850602.db2.gz ZSHVMRZDOYCYHQ-RTXFEEFZSA-N 0 3 236.315 0.675 20 0 BCADHN CC(C)CN1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879722737 590855605 /nfs/dbraw/zinc/85/56/05/590855605.db2.gz PMCCLNDJNJJGMS-WDEREUQCSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](O)CCN1CCC(c2nnnn2C)CC1 ZINC000879916144 590889097 /nfs/dbraw/zinc/88/90/97/590889097.db2.gz IOAZDSQRDJWVFS-VIFPVBQESA-N 0 3 239.323 0.160 20 0 BCADHN CC(C)(O)[C@H]1CCCN(CC2OCCO2)C1 ZINC000879964364 590899452 /nfs/dbraw/zinc/89/94/52/590899452.db2.gz XOAXUQQNSSNSHV-JTQLQIEISA-N 0 3 229.320 0.842 20 0 BCADHN CCCCOCCN1CCC(CO)(CO)CC1 ZINC000879967955 590901523 /nfs/dbraw/zinc/90/15/23/590901523.db2.gz GXMFMOKKMQWQCW-UHFFFAOYSA-N 0 3 245.363 0.870 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000879983597 590904391 /nfs/dbraw/zinc/90/43/91/590904391.db2.gz NKKYLRZVHPFSAJ-FIQHERPVSA-N 0 3 240.347 0.868 20 0 BCADHN OC[C@H]1CN2CCC[C@H]2CN1Cc1ccno1 ZINC000880070543 590917532 /nfs/dbraw/zinc/91/75/32/590917532.db2.gz ISFWWDMOYRLWLX-WDEREUQCSA-N 0 3 237.303 0.316 20 0 BCADHN Cc1nccnc1[C@H](C)NCCc1cn[nH]n1 ZINC000880109014 590927829 /nfs/dbraw/zinc/92/78/29/590927829.db2.gz NYUDDJSYBCJTQZ-QMMMGPOBSA-N 0 3 232.291 0.796 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2CC(=O)N1CCC1 ZINC000880129516 590930453 /nfs/dbraw/zinc/93/04/53/590930453.db2.gz ACKAWAOACMZFFD-NWDGAFQWSA-N 0 3 237.347 0.387 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@H]2[C@H]1CCCN2C ZINC000880129015 590931675 /nfs/dbraw/zinc/93/16/75/590931675.db2.gz BOBFYZLZZXANTE-VXGBXAGGSA-N 0 3 239.363 0.680 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@H]2[C@@H]1CCCN2C ZINC000880129012 590932845 /nfs/dbraw/zinc/93/28/45/590932845.db2.gz BOBFYZLZZXANTE-NEPJUHHUSA-N 0 3 239.363 0.680 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2Cc1cnon1 ZINC000880142464 590943132 /nfs/dbraw/zinc/94/31/32/590943132.db2.gz OQEVORATXTXANH-QWRGUYRKSA-N 0 3 222.292 0.738 20 0 BCADHN CN(C)CCONC(=O)c1cnc(C2CC2)o1 ZINC000880164160 590948964 /nfs/dbraw/zinc/94/89/64/590948964.db2.gz YGXLKVFMQILTJP-UHFFFAOYSA-N 0 3 239.275 0.775 20 0 BCADHN FC[C@H]1CCCN(CCn2cncn2)C1 ZINC000880233040 590964355 /nfs/dbraw/zinc/96/43/55/590964355.db2.gz TXSTXHJRLRBNQK-SNVBAGLBSA-N 0 3 212.272 0.960 20 0 BCADHN O=C1NCC[C@H]1N1CCC[C@H](CF)C1 ZINC000880235219 590966695 /nfs/dbraw/zinc/96/66/95/590966695.db2.gz ZIDQILGTQFVYQL-RKDXNWHRSA-N 0 3 200.257 0.556 20 0 BCADHN O=C1NCCC[C@@H]1N1CCC[C@H](CF)C1 ZINC000880236825 590968235 /nfs/dbraw/zinc/96/82/35/590968235.db2.gz JVQKCZHVZZSCGO-ZJUUUORDSA-N 0 3 214.284 0.947 20 0 BCADHN FC1CCN(C[C@H]2COCCO2)CC1 ZINC000880239182 590971799 /nfs/dbraw/zinc/97/17/99/590971799.db2.gz BHWCUQMUTNQRIO-JTQLQIEISA-N 0 3 203.257 0.836 20 0 BCADHN FC1CCN(CCN2CCOCC2)CC1 ZINC000880242149 590975649 /nfs/dbraw/zinc/97/56/49/590975649.db2.gz RGRVGESOCHSGSG-UHFFFAOYSA-N 0 3 216.300 0.753 20 0 BCADHN NC(=O)NC(=O)CCN1CCC(F)CC1 ZINC000880242847 590976971 /nfs/dbraw/zinc/97/69/71/590976971.db2.gz NKOUHVDIRBESEU-UHFFFAOYSA-N 0 3 217.244 0.005 20 0 BCADHN C[C@@H](C(N)=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880259802 590980099 /nfs/dbraw/zinc/98/00/99/590980099.db2.gz IZORPTHTSJQMSI-QWRGUYRKSA-N 0 3 248.330 0.466 20 0 BCADHN C[C@@H](C(N)=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000880259801 590980175 /nfs/dbraw/zinc/98/01/75/590980175.db2.gz IZORPTHTSJQMSI-MNOVXSKESA-N 0 3 248.330 0.466 20 0 BCADHN FC[C@H]1CCN(CCN2CCOCC2)C1 ZINC000880292946 590987047 /nfs/dbraw/zinc/98/70/47/590987047.db2.gz AXUWDHROFCJMMQ-LLVKDONJSA-N 0 3 216.300 0.610 20 0 BCADHN O=C1OCCN1CCN1CC[C@@H](CF)C1 ZINC000880294724 590989309 /nfs/dbraw/zinc/98/93/09/590989309.db2.gz DSYCJSABLGOJNA-VIFPVBQESA-N 0 3 216.256 0.730 20 0 BCADHN COCCOCCN1CC[C@@H](CF)C1 ZINC000880294370 590989149 /nfs/dbraw/zinc/98/91/49/590989149.db2.gz VDSAJZVKFDFOAB-JTQLQIEISA-N 0 3 205.273 0.941 20 0 BCADHN O=C1CC[C@@H](N2CC[C@H](CF)C2)C(=O)N1 ZINC000880299278 590993936 /nfs/dbraw/zinc/99/39/36/590993936.db2.gz QXRXVOWTRDQOGF-HTQZYQBOSA-N 0 3 214.240 0.083 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@@H](CF)C1 ZINC000880299120 590994267 /nfs/dbraw/zinc/99/42/67/590994267.db2.gz CXFVIZYPNHTEKI-JTQLQIEISA-N 0 3 231.315 0.985 20 0 BCADHN O=C1CC[C@@H](CN2CC[C@H](CF)C2)O1 ZINC000880299104 590994398 /nfs/dbraw/zinc/99/43/98/590994398.db2.gz CTZTYOJEGGEKOG-BDAKNGLRSA-N 0 3 201.241 0.983 20 0 BCADHN Cn1cc(CCCN2C[C@@H]3C[C@]3(O)C2)cn1 ZINC000880417698 591026554 /nfs/dbraw/zinc/02/65/54/591026554.db2.gz SMQWRUOBQXMOEX-RYUDHWBXSA-N 0 3 221.304 0.419 20 0 BCADHN COC(=O)C(C)(C)CCN1C[C@@H]2C[C@]2(O)C1 ZINC000880419735 591028345 /nfs/dbraw/zinc/02/83/45/591028345.db2.gz PHZWVNQLJCMXNJ-CABZTGNLSA-N 0 3 227.304 0.642 20 0 BCADHN O=C(CCN1C[C@H]2C[C@@]2(O)C1)N1CCCC1 ZINC000880420003 591028543 /nfs/dbraw/zinc/02/85/43/591028543.db2.gz VOZONBPUGIPAMW-ZYHUDNBSSA-N 0 3 224.304 0.066 20 0 BCADHN NC(=O)c1ccc(CCN2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000880420250 591029166 /nfs/dbraw/zinc/02/91/66/591029166.db2.gz BCSMQYMWLYPYHG-JSGCOSHPSA-N 0 3 246.310 0.395 20 0 BCADHN CC1(C)OC[C@H](CN2C[C@@H]3C[C@]3(O)C2)O1 ZINC000880420010 591029213 /nfs/dbraw/zinc/02/92/13/591029213.db2.gz VYKUISWXJMILQC-QXEWZRGKSA-N 0 3 213.277 0.205 20 0 BCADHN O[C@H](CN1C[C@H]2C[C@@]2(O)C1)c1ccccn1 ZINC000880421319 591029808 /nfs/dbraw/zinc/02/98/08/591029808.db2.gz ZUNKXRFMPMQXCN-YUSALJHKSA-N 0 3 220.272 0.182 20 0 BCADHN CO[C@@H]1COCC[C@@H]1N(C)Cc1cn[nH]c1 ZINC000880437088 591037855 /nfs/dbraw/zinc/03/78/55/591037855.db2.gz GARLQNKUDXKWQH-WDEREUQCSA-N 0 3 225.292 0.645 20 0 BCADHN CO[C@H]1COCC[C@H]1N(C)Cc1cn[nH]c1 ZINC000880437086 591038629 /nfs/dbraw/zinc/03/86/29/591038629.db2.gz GARLQNKUDXKWQH-MNOVXSKESA-N 0 3 225.292 0.645 20 0 BCADHN CO[C@H]1COCC[C@@H]1N(C)Cc1cn[nH]c1 ZINC000880437087 591039278 /nfs/dbraw/zinc/03/92/78/591039278.db2.gz GARLQNKUDXKWQH-QWRGUYRKSA-N 0 3 225.292 0.645 20 0 BCADHN CO[C@@H]1COCC[C@H]1N(C)CC[S@](C)=O ZINC000880438136 591040093 /nfs/dbraw/zinc/04/00/93/591040093.db2.gz XLXWMPLOEKOHGF-FCHSOHFDSA-N 0 3 235.349 0.101 20 0 BCADHN C[C@@H]1CC[C@H](CO)N1CCn1ccccc1=O ZINC000880439655 591041844 /nfs/dbraw/zinc/04/18/44/591041844.db2.gz HDJWQHOGCUTPIW-VXGBXAGGSA-N 0 3 236.315 0.694 20 0 BCADHN CCOC(=O)CCCCN1CC=C[C@H]1CO ZINC000880487607 591063289 /nfs/dbraw/zinc/06/32/89/591063289.db2.gz WUDHDUAZWXTYIC-NSHDSACASA-N 0 3 227.304 0.953 20 0 BCADHN CN1CC[C@@H](N[C@@H]2CCC[C@]23CCCO3)C1=O ZINC000880514527 591082047 /nfs/dbraw/zinc/08/20/47/591082047.db2.gz ATMOGRLTFDTQTQ-WZRBSPASSA-N 0 3 238.331 0.908 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1C[C@H](O)Cn1cccn1 ZINC000880521327 591083515 /nfs/dbraw/zinc/08/35/15/591083515.db2.gz GYLBFLLUYZZLRJ-WOPDTQHZSA-N 0 3 239.319 0.089 20 0 BCADHN CC(C)[C@H](O)CN1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880525439 591084433 /nfs/dbraw/zinc/08/44/33/591084433.db2.gz HBMLDOMUDSYCLV-TUAOUCFPSA-N 0 3 240.347 0.604 20 0 BCADHN O=C1NCC[C@H]2CCCN(CCCCCO)[C@H]12 ZINC000880530994 591085090 /nfs/dbraw/zinc/08/50/90/591085090.db2.gz SYJVMQWVQLZPTQ-NEPJUHHUSA-N 0 3 240.347 0.750 20 0 BCADHN COC(=O)[C@]1(O)CCN(CCc2ccccc2)C1 ZINC000880559252 591090861 /nfs/dbraw/zinc/09/08/61/591090861.db2.gz KPHOJBPFEUAXSM-AWEZNQCLSA-N 0 3 249.310 0.839 20 0 BCADHN COC(=O)[C@]1(O)CCN(CCCOC(C)C)C1 ZINC000880560405 591092130 /nfs/dbraw/zinc/09/21/30/591092130.db2.gz BOQPRKVHIYMITC-LBPRGKRZSA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)[C@]1(O)CCN(CC=C(C)C)C1 ZINC000880559936 591092996 /nfs/dbraw/zinc/09/29/96/591092996.db2.gz JHNCOGZDTNFVTQ-NSHDSACASA-N 0 3 213.277 0.562 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CC=C(C)C)C1 ZINC000880559935 591093008 /nfs/dbraw/zinc/09/30/08/591093008.db2.gz JHNCOGZDTNFVTQ-LLVKDONJSA-N 0 3 213.277 0.562 20 0 BCADHN COC(=O)[C@]1(O)CCN(CCSC(C)C)C1 ZINC000880565213 591093255 /nfs/dbraw/zinc/09/32/55/591093255.db2.gz JDEIGGWSTGSLNE-NSHDSACASA-N 0 3 247.360 0.738 20 0 BCADHN CC[C@@H](CN1CC[C@@](O)(C(=O)OC)C1)OC ZINC000880564517 591093267 /nfs/dbraw/zinc/09/32/67/591093267.db2.gz AOBJJGXGMDRXAS-ONGXEEELSA-N 0 3 231.292 0.021 20 0 BCADHN CC/C=C/CCN1CC[C@](O)(C(=O)OC)C1 ZINC000880565098 591094835 /nfs/dbraw/zinc/09/48/35/591094835.db2.gz BNPMZVNCHGIBKV-ZYOFXKKJSA-N 0 3 227.304 0.953 20 0 BCADHN COC(=O)[C@]1(O)CCN(CCOC2CCC2)C1 ZINC000880565600 591096096 /nfs/dbraw/zinc/09/60/96/591096096.db2.gz MXQBHJGSQZKGRO-LBPRGKRZSA-N 0 3 243.303 0.165 20 0 BCADHN COC(=O)[C@]1(O)CCN(C[C@H]2CC[C@@H](C)O2)C1 ZINC000880565756 591097314 /nfs/dbraw/zinc/09/73/14/591097314.db2.gz HOCZPNQSUTWYQO-FOGDFJRCSA-N 0 3 243.303 0.164 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)CCC(=O)N(C)C ZINC000880587894 591102071 /nfs/dbraw/zinc/10/20/71/591102071.db2.gz MPMWVDGKZZGYJB-JTQLQIEISA-N 0 3 243.351 0.297 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)C[C@H](O)C1CC1 ZINC000880591237 591102757 /nfs/dbraw/zinc/10/27/57/591102757.db2.gz CZUQGTUFDDXVCJ-QWRGUYRKSA-N 0 3 228.336 0.589 20 0 BCADHN COC(CCN(C)[C@@H](CC(C)C)C(N)=O)OC ZINC000880592238 591103086 /nfs/dbraw/zinc/10/30/86/591103086.db2.gz SPQUSIZFZYWWKH-JTQLQIEISA-N 0 3 246.351 0.827 20 0 BCADHN CCN1[C@H](C)CN(C(=O)CN(C)C)C[C@@H]1C ZINC000880609513 591109596 /nfs/dbraw/zinc/10/95/96/591109596.db2.gz XXYJAGWVPNUNME-PHIMTYICSA-N 0 3 227.352 0.489 20 0 BCADHN CON(C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC000880642165 591113662 /nfs/dbraw/zinc/11/36/62/591113662.db2.gz DCVDOMPQUQEQAA-SNVBAGLBSA-N 0 3 231.340 0.182 20 0 BCADHN CN(C)CCNC(=O)Nc1ccn(CCF)n1 ZINC000880761905 591139262 /nfs/dbraw/zinc/13/92/62/591139262.db2.gz AWTNLCXDGFNLNF-UHFFFAOYSA-N 0 3 243.286 0.536 20 0 BCADHN C[C@@H](N)c1cn(CC(=O)c2cccn2C)nn1 ZINC000881033412 591159823 /nfs/dbraw/zinc/15/98/23/591159823.db2.gz IIXFHSWIOXZFEK-MRVPVSSYSA-N 0 3 233.275 0.519 20 0 BCADHN CC(C)[C@H](N)c1cn(CCC2OCCO2)nn1 ZINC000881194807 591168520 /nfs/dbraw/zinc/16/85/20/591168520.db2.gz SFPJOSIADVTCOX-NSHDSACASA-N 0 3 240.307 0.697 20 0 BCADHN CCCCCCN(C)CC(=O)NC[C@@H](C)O ZINC000128861621 591169964 /nfs/dbraw/zinc/16/99/64/591169964.db2.gz BAKMXGZJBDFAOX-LLVKDONJSA-N 0 3 230.352 0.996 20 0 BCADHN CCCOC(=O)[C@H](C)n1cc([C@H](C)N)nn1 ZINC000881295539 591182095 /nfs/dbraw/zinc/18/20/95/591182095.db2.gz BPIFLDHFSCGPGV-YUMQZZPRSA-N 0 3 226.280 0.812 20 0 BCADHN COc1cc(Cn2cc([C@@H](C)N)nn2)ccn1 ZINC000881302242 591184082 /nfs/dbraw/zinc/18/40/82/591184082.db2.gz PMVFFYPXGLHQQD-MRVPVSSYSA-N 0 3 233.275 0.750 20 0 BCADHN COC(=O)C1(Cn2cc([C@H](C)N)nn2)CC1 ZINC000881308061 591184767 /nfs/dbraw/zinc/18/47/67/591184767.db2.gz QFENYTFFAIXMOK-ZETCQYMHSA-N 0 3 224.264 0.251 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2cnon2)nn1 ZINC000881359104 591193201 /nfs/dbraw/zinc/19/32/01/591193201.db2.gz IUBKPUSTDYWMNO-SECBINFHSA-N 0 3 222.252 0.293 20 0 BCADHN C[C@H](N)c1cn([C@H]2CCN(C3CCC3)C2=O)nn1 ZINC000881335893 591194680 /nfs/dbraw/zinc/19/46/80/591194680.db2.gz LVIJOAIVJZVMGS-KWQFWETISA-N 0 3 249.318 0.624 20 0 BCADHN CC(C)(C)[C@H](N)c1cn(Cc2cnon2)nn1 ZINC000881358497 591195122 /nfs/dbraw/zinc/19/51/22/591195122.db2.gz AYKLBNSXASXHCH-SECBINFHSA-N 0 3 236.279 0.755 20 0 BCADHN CC[C@@H](N)c1cn(Cc2cnon2)nn1 ZINC000881358717 591195311 /nfs/dbraw/zinc/19/53/11/591195311.db2.gz DHTZRRJBLPSWGS-SSDOTTSWSA-N 0 3 208.225 0.119 20 0 BCADHN C[C@H](N)c1cn(C[C@@H]2CCO[C@@H]2C)nn1 ZINC000881366329 591195863 /nfs/dbraw/zinc/19/58/63/591195863.db2.gz DAROGGLUCIAXTE-YIZRAAEISA-N 0 3 210.281 0.723 20 0 BCADHN CCc1nc([C@@H](C)n2cc([C@H](C)N)nn2)n[nH]1 ZINC000881385224 591198727 /nfs/dbraw/zinc/19/87/27/591198727.db2.gz MEZIBESOPVATDI-NKWVEPMBSA-N 0 3 235.295 0.588 20 0 BCADHN CC[C@H](N)c1cn(C[C@@H]2COC(C)(C)O2)nn1 ZINC000881391665 591199738 /nfs/dbraw/zinc/19/97/38/591199738.db2.gz ITUWAMVKOKQEBN-BDAKNGLRSA-N 0 3 240.307 0.839 20 0 BCADHN C[C@@H](N)c1cn(CC[C@H]2COC(C)(C)O2)nn1 ZINC000881395280 591200358 /nfs/dbraw/zinc/20/03/58/591200358.db2.gz RTICFVDJZHGELG-BDAKNGLRSA-N 0 3 240.307 0.839 20 0 BCADHN CC(C)COC[C@@H](O)Cn1cc([C@H](C)N)nn1 ZINC000881403525 591201444 /nfs/dbraw/zinc/20/14/44/591201444.db2.gz YMQWAMGKFLSBQK-UWVGGRQHSA-N 0 3 242.323 0.331 20 0 BCADHN CC(C)COC[C@H](O)Cn1cc([C@H](C)N)nn1 ZINC000881403526 591201530 /nfs/dbraw/zinc/20/15/30/591201530.db2.gz YMQWAMGKFLSBQK-VHSXEESVSA-N 0 3 242.323 0.331 20 0 BCADHN CC(C)OCC[C@H](O)Cn1cc([C@@H](C)N)nn1 ZINC000881423101 591203499 /nfs/dbraw/zinc/20/34/99/591203499.db2.gz NMZALGDQLASVJZ-ZJUUUORDSA-N 0 3 242.323 0.474 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)COC1CC1 ZINC000881465986 591207947 /nfs/dbraw/zinc/20/79/47/591207947.db2.gz MFEKSJKZCLFEQX-NEPJUHHUSA-N 0 3 238.331 0.861 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)COC1CC1 ZINC000881465987 591208170 /nfs/dbraw/zinc/20/81/70/591208170.db2.gz MFEKSJKZCLFEQX-NWDGAFQWSA-N 0 3 238.331 0.861 20 0 BCADHN CCCN(C)CC(=O)NC[C@H]1C[C@H](OC)C1 ZINC000881574180 591245553 /nfs/dbraw/zinc/24/55/53/591245553.db2.gz KQTBMLMLTRUNEN-XYPYZODXSA-N 0 3 228.336 0.869 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CC[C@@H](CF)C1 ZINC000881666731 591261688 /nfs/dbraw/zinc/26/16/88/591261688.db2.gz DJTSPKALHDPNRV-VHSXEESVSA-N 0 3 214.284 0.899 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@H](O)c1ccco1 ZINC000129262692 591272878 /nfs/dbraw/zinc/27/28/78/591272878.db2.gz VUKKZLJGYKTLET-YUMQZZPRSA-N 0 3 212.249 0.167 20 0 BCADHN C[C@H]1CCCN1CCNc1nccnc1C(N)=O ZINC000882031740 591289535 /nfs/dbraw/zinc/28/95/35/591289535.db2.gz MRNNPCGPYMEYEH-VIFPVBQESA-N 0 3 249.318 0.472 20 0 BCADHN CCNS(=O)(=O)CCN[C@@H]1CCSC1 ZINC000129511459 591315490 /nfs/dbraw/zinc/31/54/90/591315490.db2.gz RQJAUNFRMIYZRW-MRVPVSSYSA-N 0 3 238.378 0.021 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC000882486409 591360652 /nfs/dbraw/zinc/36/06/52/591360652.db2.gz KKIHJZDRFKPVRM-VXGBXAGGSA-N 0 3 239.363 0.681 20 0 BCADHN CCN1CC[C@H]1CNC(=O)CN(C)C(C)C ZINC000882484646 591360782 /nfs/dbraw/zinc/36/07/82/591360782.db2.gz IZCJDEHQYHURKH-NSHDSACASA-N 0 3 227.352 0.537 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)[C@H]1CCCN1C ZINC000882486280 591362133 /nfs/dbraw/zinc/36/21/33/591362133.db2.gz PCROKQZMKMVLCI-GHMZBOCLSA-N 0 3 225.336 0.291 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC000882486936 591363722 /nfs/dbraw/zinc/36/37/22/591363722.db2.gz YPZKLKKCSPWHQJ-VXGBXAGGSA-N 0 3 241.379 0.783 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1CCN1CC)N(C)C ZINC000882489209 591367593 /nfs/dbraw/zinc/36/75/93/591367593.db2.gz OMUNATTZFBPTIO-MNOVXSKESA-N 0 3 227.352 0.537 20 0 BCADHN CCN1CC[C@H]1CNC(=O)[C@H](C)N(C)C ZINC000882496140 591377319 /nfs/dbraw/zinc/37/73/19/591377319.db2.gz PEBNNXYYJBTJBJ-UWVGGRQHSA-N 0 3 213.325 0.147 20 0 BCADHN Cc1ccnc(NC[C@H]2CSCCN2)n1 ZINC000882729309 591423292 /nfs/dbraw/zinc/42/32/92/591423292.db2.gz YGOIDCADJZWMSZ-VIFPVBQESA-N 0 3 224.333 0.902 20 0 BCADHN Fc1cc(NC[C@@H]2CSCCN2)ncn1 ZINC000882727789 591423566 /nfs/dbraw/zinc/42/35/66/591423566.db2.gz FPXUBZTUOILASV-SSDOTTSWSA-N 0 3 228.296 0.733 20 0 BCADHN COCCN(CCO)CCC1OCCCO1 ZINC000129971556 591426968 /nfs/dbraw/zinc/42/69/68/591426968.db2.gz MKHGFUZESCIUKB-UHFFFAOYSA-N 0 3 233.308 0.080 20 0 BCADHN Nc1cnccc1CNC[C@@H]1COCCO1 ZINC000882905412 591472488 /nfs/dbraw/zinc/47/24/88/591472488.db2.gz DGAVSCQLGNQRNG-SNVBAGLBSA-N 0 3 223.276 0.169 20 0 BCADHN CCN1CC[C@H]1CNc1cc(=O)n(C)cn1 ZINC000882959771 591485297 /nfs/dbraw/zinc/48/52/97/591485297.db2.gz PEUKXBRGQNUSOL-VIFPVBQESA-N 0 3 222.292 0.286 20 0 BCADHN CCn1nnc(C)c1CN[C@@H](CO)C1CC1 ZINC000883002279 591504409 /nfs/dbraw/zinc/50/44/09/591504409.db2.gz BVACKVUIXWVAMB-JTQLQIEISA-N 0 3 224.308 0.467 20 0 BCADHN CC1(CCNCc2ccncc2N)OCCO1 ZINC000883088273 591538479 /nfs/dbraw/zinc/53/84/79/591538479.db2.gz YVHYHTZDQVNSED-UHFFFAOYSA-N 0 3 237.303 0.907 20 0 BCADHN COC(=O)[C@H]1CCCN(CC(OC)OC)C1 ZINC000131084733 591551780 /nfs/dbraw/zinc/55/17/80/591551780.db2.gz AXVBIFZCPCFXPC-VIFPVBQESA-N 0 3 231.292 0.490 20 0 BCADHN CON(C)CCNCc1cnn(CC(F)F)c1 ZINC000883171288 591559748 /nfs/dbraw/zinc/55/97/48/591559748.db2.gz UPIDHKGRPPEOBA-UHFFFAOYSA-N 0 3 248.277 0.731 20 0 BCADHN CON(C)CCNCc1cn(C)nc1C(F)F ZINC000883170951 591561144 /nfs/dbraw/zinc/56/11/44/591561144.db2.gz JWVWVBMDZRXEQY-UHFFFAOYSA-N 0 3 248.277 0.941 20 0 BCADHN CON(C)CCNCc1ccnn1CC1CC1 ZINC000883170949 591561280 /nfs/dbraw/zinc/56/12/80/591561280.db2.gz JVSDSYFSGZZCCJ-UHFFFAOYSA-N 0 3 238.335 0.876 20 0 BCADHN COc1ccc(CNCCN(C)OC)cc1O ZINC000883173094 591562524 /nfs/dbraw/zinc/56/25/24/591562524.db2.gz CCYJOWLKASZKFF-UHFFFAOYSA-N 0 3 240.303 0.984 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1cccc(Cl)c1N ZINC000883196192 591568895 /nfs/dbraw/zinc/56/88/95/591568895.db2.gz LCIAKQGTHAHPIE-OIBJUYFYSA-N 0 3 244.722 0.754 20 0 BCADHN CCN1CC[C@H]1CNCc1ccncc1N ZINC000883358756 591629211 /nfs/dbraw/zinc/62/92/11/591629211.db2.gz QKDPYKWSHRTRRV-NSHDSACASA-N 0 3 220.320 0.848 20 0 BCADHN CCCN(CC(=O)NC)C[C@@H]1C[C@H](F)CN1 ZINC000883420990 591656262 /nfs/dbraw/zinc/65/62/62/591656262.db2.gz ZEQMTARTFAFMQA-UWVGGRQHSA-N 0 3 231.315 0.144 20 0 BCADHN NC(=O)C1(NC[C@@H]2C[C@H](F)CN2)CCCCC1 ZINC000883422950 591657556 /nfs/dbraw/zinc/65/75/56/591657556.db2.gz YIEVYPIGHRCNLY-UWVGGRQHSA-N 0 3 243.326 0.464 20 0 BCADHN Cc1nonc1CN1CCNC[C@@H]1C(F)F ZINC000883427821 591660631 /nfs/dbraw/zinc/66/06/31/591660631.db2.gz CXXIUPVUPHUQQX-MRVPVSSYSA-N 0 3 232.234 0.417 20 0 BCADHN CCC[C@@H]1C(=O)NCCN1C[C@@H]1C[C@H](F)CN1 ZINC000883431055 591662311 /nfs/dbraw/zinc/66/23/11/591662311.db2.gz LAZGQZYSPAPBMF-GARJFASQSA-N 0 3 243.326 0.287 20 0 BCADHN CC(C)CONC(=O)NC[C@@](C)(O)CN(C)C ZINC000131941445 591678554 /nfs/dbraw/zinc/67/85/54/591678554.db2.gz MWWGNDRFKWQOLY-LLVKDONJSA-N 0 3 247.339 0.186 20 0 BCADHN CC(C)C[C@@H](O)CN[C@H](C)CS(C)(=O)=O ZINC000132136438 591689064 /nfs/dbraw/zinc/68/90/64/591689064.db2.gz FHTWLKZWHVLJQS-NXEZZACHSA-N 0 3 237.365 0.416 20 0 BCADHN O=S1(=O)CCC[C@@H](N[C@H](CCO)C2CC2)C1 ZINC000132279480 591696621 /nfs/dbraw/zinc/69/66/21/591696621.db2.gz JRSKZUCVTZXMIS-GHMZBOCLSA-N 0 3 247.360 0.314 20 0 BCADHN C[C@H](CCO)NCc1cc(=O)n2ccccc2n1 ZINC000132890512 591746487 /nfs/dbraw/zinc/74/64/87/591746487.db2.gz ZUUQJBPYGYCABA-SNVBAGLBSA-N 0 3 247.298 0.555 20 0 BCADHN C[C@@H](CCO)N[C@@H](C)C(=O)NCc1ccco1 ZINC000132891512 591746900 /nfs/dbraw/zinc/74/69/00/591746900.db2.gz SSLNIELDYTUXQO-UWVGGRQHSA-N 0 3 240.303 0.645 20 0 BCADHN CCN(CC)C(=O)CN[C@@H](C)CCO ZINC000133008651 591756205 /nfs/dbraw/zinc/75/62/05/591756205.db2.gz JIJDJSSVOBHCBI-VIFPVBQESA-N 0 3 202.298 0.215 20 0 BCADHN CCn1cc(CN(C)[C@@H]2CCN(C3CC3)C2)nn1 ZINC000884002988 591790877 /nfs/dbraw/zinc/79/08/77/591790877.db2.gz ONCAJYYUCWXGEB-CYBMUJFWSA-N 0 3 249.362 0.967 20 0 BCADHN Cc1cnc(F)cc1C(=O)N1CCCNCC1 ZINC000884010233 591797969 /nfs/dbraw/zinc/79/79/69/591797969.db2.gz WORJGCVXMDSHJF-UHFFFAOYSA-N 0 3 237.278 0.965 20 0 BCADHN Cc1cc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)n(C)n1 ZINC000125296444 591798991 /nfs/dbraw/zinc/79/89/91/591798991.db2.gz SEWBFBLMSMXCKB-UHTWSYAYSA-N 0 3 235.331 0.931 20 0 BCADHN COc1cc(NC(=O)[C@H](CN)OC)ccc1N ZINC000884012064 591799191 /nfs/dbraw/zinc/79/91/91/591799191.db2.gz XYTPNHNQMTZASA-JTQLQIEISA-N 0 3 239.275 0.190 20 0 BCADHN Nc1ccc(NC(=O)[C@@H](N)CC2CC2)cn1 ZINC000884025251 591806125 /nfs/dbraw/zinc/80/61/25/591806125.db2.gz QOYFXVOTEDCJLC-VIFPVBQESA-N 0 3 220.276 0.730 20 0 BCADHN CC1(C)CNCCN1C(=O)[C@H](N)CC1CC1 ZINC000884037734 591818956 /nfs/dbraw/zinc/81/89/56/591818956.db2.gz KZJBJSSZFQGALK-SNVBAGLBSA-N 0 3 225.336 0.324 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000884048910 591827039 /nfs/dbraw/zinc/82/70/39/591827039.db2.gz ZYECEPDPVWDTDQ-DBIOUOCHSA-N 0 3 228.336 0.901 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H]1CCCC[C@H]1C ZINC000884048507 591827229 /nfs/dbraw/zinc/82/72/29/591827229.db2.gz NGJOWWDYZRQNND-UTLUCORTSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@@H](CN)C(=O)Nn1cnc2ccccc21 ZINC000884061159 591836368 /nfs/dbraw/zinc/83/63/68/591836368.db2.gz XHCSZQZWOYMRCB-JTQLQIEISA-N 0 3 234.259 0.080 20 0 BCADHN COCC[C@@H](N)C(=O)N(C(C)C)C1CC1 ZINC000884087048 591846349 /nfs/dbraw/zinc/84/63/49/591846349.db2.gz PZLHTXZVYMCWSH-SNVBAGLBSA-N 0 3 214.309 0.750 20 0 BCADHN COCC[C@H](N)C(=O)N(C(C)C)C1CC1 ZINC000884087047 591846527 /nfs/dbraw/zinc/84/65/27/591846527.db2.gz PZLHTXZVYMCWSH-JTQLQIEISA-N 0 3 214.309 0.750 20 0 BCADHN CN[C@@H](CC(C)C)C(=O)Nc1cnn(C)c1 ZINC000884086546 591846675 /nfs/dbraw/zinc/84/66/75/591846675.db2.gz ATZOHCZZHMGILO-JTQLQIEISA-N 0 3 224.308 0.993 20 0 BCADHN COC(CN(C)CC1(O)CCCC1)OC ZINC000133730332 591851734 /nfs/dbraw/zinc/85/17/34/591851734.db2.gz DTZOFEWZCHSXIF-UHFFFAOYSA-N 0 3 217.309 0.842 20 0 BCADHN CN[C@@H](CC(C)C)C(=O)NC(C)(C)C(N)=O ZINC000884097939 591850354 /nfs/dbraw/zinc/85/03/54/591850354.db2.gz VJGGCKDMJGAADY-QMMMGPOBSA-N 0 3 229.324 0.001 20 0 BCADHN Cn1cccc(NC(=O)[C@H](N)CC2CC2)c1=O ZINC000884134275 591858869 /nfs/dbraw/zinc/85/88/69/591858869.db2.gz BJSBQJPJQACZOY-SECBINFHSA-N 0 3 235.287 0.451 20 0 BCADHN CC[C@H]1C[C@@H](C)CN1C(=O)[C@H](CN)OC ZINC000884143348 591859921 /nfs/dbraw/zinc/85/99/21/591859921.db2.gz FMPOZENKKULTRC-UTLUCORTSA-N 0 3 214.309 0.607 20 0 BCADHN CCn1cc([C@@H](C)NCC[S@@](C)=O)cn1 ZINC000133826540 591861757 /nfs/dbraw/zinc/86/17/57/591861757.db2.gz OOEXSSHJIHTIMK-PSLIRLAXSA-N 0 3 229.349 0.932 20 0 BCADHN C[C@@H](NCC[S@@](C)=O)c1cnn(C)c1 ZINC000133818677 591862142 /nfs/dbraw/zinc/86/21/42/591862142.db2.gz SXPVQDXYNCERMD-CLAHSXSESA-N 0 3 215.322 0.449 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000884154363 591863497 /nfs/dbraw/zinc/86/34/97/591863497.db2.gz FKYWGQZNHOPWNK-XQQFMLRXSA-N 0 3 248.326 0.708 20 0 BCADHN C[NH2+][C@@H](CC(C)C)C(=O)NCCc1nnc[n-]1 ZINC000884157127 591864262 /nfs/dbraw/zinc/86/42/62/591864262.db2.gz TZHNVQHOFYPJLI-VIFPVBQESA-N 0 3 239.323 0.098 20 0 BCADHN Cc1ccn(C)c(=O)c1NC(=O)[C@H](N)CC1CC1 ZINC000884171261 591866045 /nfs/dbraw/zinc/86/60/45/591866045.db2.gz QOUVONAERZOZOW-SNVBAGLBSA-N 0 3 249.314 0.760 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000884174098 591866252 /nfs/dbraw/zinc/86/62/52/591866252.db2.gz JPFSKCYDZBIFEC-ZNSHCXBVSA-N 0 3 242.319 0.034 20 0 BCADHN COCC[C@H](N)C(=O)Nc1nnc2ccccn21 ZINC000884193283 591870351 /nfs/dbraw/zinc/87/03/51/591870351.db2.gz AXYJFOXHVLQJTH-QMMMGPOBSA-N 0 3 249.274 0.032 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCCNc1cnccn1 ZINC000884190044 591870781 /nfs/dbraw/zinc/87/07/81/591870781.db2.gz ULAPBAXKNVJCMS-JTQLQIEISA-N 0 3 249.318 0.132 20 0 BCADHN COCCNCCNC(=O)c1ccc(C)cn1 ZINC000884241783 591878125 /nfs/dbraw/zinc/87/81/25/591878125.db2.gz BTCHEYAXTOTMKD-UHFFFAOYSA-N 0 3 237.303 0.356 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000884267996 591888159 /nfs/dbraw/zinc/88/81/59/591888159.db2.gz SMPCBZWKTDFQCE-GRYCIOLGSA-N 0 3 237.347 0.467 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1CCNC[C@H]1C(F)F ZINC000884289936 591894782 /nfs/dbraw/zinc/89/47/82/591894782.db2.gz NLRPMRSKAADEFN-BDAKNGLRSA-N 0 3 247.289 0.179 20 0 BCADHN COCC[C@@H](N)C(=O)N1CCNc2ccccc21 ZINC000884290428 591895152 /nfs/dbraw/zinc/89/51/52/591895152.db2.gz AMXDYVOAHROCIM-SNVBAGLBSA-N 0 3 249.314 0.809 20 0 BCADHN CCc1ncc(NC(=O)[C@@H](N)CCOC)cn1 ZINC000884310013 591900245 /nfs/dbraw/zinc/90/02/45/591900245.db2.gz MFOKANDKYGIWNB-VIFPVBQESA-N 0 3 238.291 0.341 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1ccc(Cl)cn1 ZINC000884312451 591900420 /nfs/dbraw/zinc/90/04/20/591900420.db2.gz FZCSPOMIQNJZIG-VIFPVBQESA-N 0 3 243.694 0.325 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1CCOC[C@H]1C1CC1 ZINC000884315486 591901416 /nfs/dbraw/zinc/90/14/16/591901416.db2.gz QFEVMTOUFWRVMZ-NEPJUHHUSA-N 0 3 238.331 0.751 20 0 BCADHN N[C@H](CC1CC1)C(=O)Nc1ccc2nncn2c1 ZINC000884314762 591901997 /nfs/dbraw/zinc/90/19/97/591901997.db2.gz VBWWZQHIBKBESV-SNVBAGLBSA-N 0 3 245.286 0.795 20 0 BCADHN COCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1OC ZINC000884314125 591902190 /nfs/dbraw/zinc/90/21/90/591902190.db2.gz ZOSAJUFNLWEKII-DCAQKATOSA-N 0 3 244.335 0.424 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000884321192 591903539 /nfs/dbraw/zinc/90/35/39/591903539.db2.gz IJAYUWAMOQYTNW-DCAQKATOSA-N 0 3 242.319 0.034 20 0 BCADHN CC[C@H]1CC[C@H](C)N1C(=O)[C@H](CN)OC ZINC000884329260 591904504 /nfs/dbraw/zinc/90/45/04/591904504.db2.gz JHJWANDSXBIXCC-GUBZILKMSA-N 0 3 214.309 0.750 20 0 BCADHN C[C@@H]1c2nncn2CCN1C(=O)[C@H](N)CC1CC1 ZINC000884332606 591904765 /nfs/dbraw/zinc/90/47/65/591904765.db2.gz RAPQMPGFWPENFC-PSASIEDQSA-N 0 3 249.318 0.309 20 0 BCADHN CC[C@H]1CC[C@@H](C)N1C(=O)[C@H](CN)OC ZINC000884329261 591904804 /nfs/dbraw/zinc/90/48/04/591904804.db2.gz JHJWANDSXBIXCC-UTLUCORTSA-N 0 3 214.309 0.750 20 0 BCADHN CC[C@H]1C[C@H](NC(=O)[C@H](CN)OC)CCO1 ZINC000884347526 591908886 /nfs/dbraw/zinc/90/88/86/591908886.db2.gz WFMRCCMVSQHIDL-UTLUCORTSA-N 0 3 230.308 0.034 20 0 BCADHN COCC[C@@H](N)C(=O)NCC1CCC(F)CC1 ZINC000884376762 591919379 /nfs/dbraw/zinc/91/93/79/591919379.db2.gz PUWLZWRMIZCIEK-VQXHTEKXSA-N 0 3 246.326 0.995 20 0 BCADHN CO[C@@H](CN)C(=O)NCC1CCC(F)CC1 ZINC000884376847 591919650 /nfs/dbraw/zinc/91/96/50/591919650.db2.gz SBWIKHPLKSSRSI-RTBKNWGFSA-N 0 3 232.299 0.605 20 0 BCADHN CC[C@@H]1CO[C@@H](CC)CN1C(=O)[C@H](CN)OC ZINC000884381734 591921015 /nfs/dbraw/zinc/92/10/15/591921015.db2.gz PAXXKMRXNBKWLM-VWYCJHECSA-N 0 3 244.335 0.376 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1OC ZINC000884387647 591922136 /nfs/dbraw/zinc/92/21/36/591922136.db2.gz ZOSAJUFNLWEKII-HBNTYKKESA-N 0 3 244.335 0.424 20 0 BCADHN COCC[C@@H](N)C(=O)NC1(COC)CCCC1 ZINC000884397964 591924523 /nfs/dbraw/zinc/92/45/23/591924523.db2.gz SIFBJOGNKILFBU-SNVBAGLBSA-N 0 3 244.335 0.426 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000884413052 591927661 /nfs/dbraw/zinc/92/76/61/591927661.db2.gz IAZHTDMBIRDYMA-BQBZGAKWSA-N 0 3 236.262 0.368 20 0 BCADHN COCC[C@H](N)C(=O)NCCCc1ccco1 ZINC000884416869 591928311 /nfs/dbraw/zinc/92/83/11/591928311.db2.gz PQWDDKIOTUVYFZ-NSHDSACASA-N 0 3 240.303 0.692 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H](C)C1CCC(F)CC1 ZINC000884413571 591928346 /nfs/dbraw/zinc/92/83/46/591928346.db2.gz WXMGENKCOPAYTG-SFXRXQKFSA-N 0 3 246.326 0.993 20 0 BCADHN COCC[C@@H](N)C(=O)N1CC2CC1(C)C2 ZINC000884423087 591929966 /nfs/dbraw/zinc/92/99/66/591929966.db2.gz NKIXGRFZDLSSLI-INWMGODYSA-N 0 3 212.293 0.361 20 0 BCADHN CCC[C@H](NC(=O)[C@H](CC(C)C)NC)C(N)=O ZINC000884427450 591930884 /nfs/dbraw/zinc/93/08/84/591930884.db2.gz WSPMPLOOPNIJKU-UWVGGRQHSA-N 0 3 243.351 0.391 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC(CCF)CC1 ZINC000884454384 591939685 /nfs/dbraw/zinc/93/96/85/591939685.db2.gz MMKYBHCMRIHBMZ-JTQLQIEISA-N 0 3 232.299 0.558 20 0 BCADHN Cn1nccc1CNCCC1(C)OCCO1 ZINC000135001327 591971421 /nfs/dbraw/zinc/97/14/21/591971421.db2.gz PETDEUOBGKYTNA-UHFFFAOYSA-N 0 3 225.292 0.663 20 0 BCADHN CCN(CC)C(=O)CNC(=O)[C@@H]1CCCCN1 ZINC000135192391 591995010 /nfs/dbraw/zinc/99/50/10/591995010.db2.gz TWHJMWUOKDISMS-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN Cc1nc(C)c(C)c(NCCN(C)CCO)n1 ZINC000884824875 592018107 /nfs/dbraw/zinc/01/81/07/592018107.db2.gz TZTJYTZUYPVFLM-UHFFFAOYSA-N 0 3 238.335 0.738 20 0 BCADHN CN(CCO)CCNc1nc2ccccc2n1C ZINC000884824622 592021726 /nfs/dbraw/zinc/02/17/26/592021726.db2.gz FGNLXUHVSZSIFQ-UHFFFAOYSA-N 0 3 248.330 0.909 20 0 BCADHN CN(CCO)CCNc1ccnc2cccnc21 ZINC000884825058 592022275 /nfs/dbraw/zinc/02/22/75/592022275.db2.gz CKFGROKRNKDVSJ-UHFFFAOYSA-N 0 3 246.314 0.388 20 0 BCADHN Cc1cnc(C)c(NCCN(C)CCO)n1 ZINC000884822841 592022447 /nfs/dbraw/zinc/02/24/47/592022447.db2.gz GVVNEBOARBREDS-UHFFFAOYSA-N 0 3 224.308 0.429 20 0 BCADHN CN(CCO)CCNc1nnc(C(C)(C)C)o1 ZINC000884826279 592023830 /nfs/dbraw/zinc/02/38/30/592023830.db2.gz UGCUPEHGXDTYCX-UHFFFAOYSA-N 0 3 242.323 0.703 20 0 BCADHN COCCOC(=O)NCCN(C)C1CC1 ZINC000884976217 592032012 /nfs/dbraw/zinc/03/20/12/592032012.db2.gz MOHYALROUHZNFV-UHFFFAOYSA-N 0 3 216.281 0.453 20 0 BCADHN COCCOC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000885039053 592036708 /nfs/dbraw/zinc/03/67/08/592036708.db2.gz VHOMMXVMUJLTJC-MNOVXSKESA-N 0 3 242.319 0.938 20 0 BCADHN C[C@@H]1C(=O)CCCN1C(=O)C1(CN(C)C)CC1 ZINC000885063844 592043571 /nfs/dbraw/zinc/04/35/71/592043571.db2.gz SBEHDADAPSDTLZ-SNVBAGLBSA-N 0 3 238.331 0.908 20 0 BCADHN C[C@H]1C(=O)CCCN1C(=O)C12CCN(CC1)C2 ZINC000885062421 592043611 /nfs/dbraw/zinc/04/36/11/592043611.db2.gz IKFWVBIIMCMSQH-JTQLQIEISA-N 0 3 236.315 0.662 20 0 BCADHN C[C@@H]1[C@H](C(=O)N2CC(=O)CC[C@@H]2C)CCN1C ZINC000885075993 592046728 /nfs/dbraw/zinc/04/67/28/592046728.db2.gz KYUYFBRSDBTKJZ-HOSYDEDBSA-N 0 3 238.331 0.907 20 0 BCADHN C[C@@H]1CCC(=O)CN1C(=O)[C@H]1CCN(C)C1 ZINC000885079775 592048196 /nfs/dbraw/zinc/04/81/96/592048196.db2.gz CVFSYUDLBKHPDR-ZJUUUORDSA-N 0 3 224.304 0.518 20 0 BCADHN COCCOC(=O)NCCN1CCC[C@H]1C ZINC000885126185 592054250 /nfs/dbraw/zinc/05/42/50/592054250.db2.gz YRFGKEDKHUJDDT-SNVBAGLBSA-N 0 3 230.308 0.843 20 0 BCADHN CCCCOCCCNC(=O)CNCC ZINC000135829460 592059768 /nfs/dbraw/zinc/05/97/68/592059768.db2.gz QVCXOHKTOFKHMF-UHFFFAOYSA-N 0 3 216.325 0.919 20 0 BCADHN CCO[C@H]1CCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000885349886 592071903 /nfs/dbraw/zinc/07/19/03/592071903.db2.gz PZGCFLFVRGZTPZ-IUCAKERBSA-N 0 3 249.332 0.057 20 0 BCADHN COC[C@H](C)NC(=S)NC[C@H](C)N(C)C ZINC000135953328 592082383 /nfs/dbraw/zinc/08/23/83/592082383.db2.gz MSNYFHVTJIPSKH-IUCAKERBSA-N 0 3 233.381 0.436 20 0 BCADHN COCCNC(=S)NC[C@H](C)N(C)C ZINC000135953922 592082643 /nfs/dbraw/zinc/08/26/43/592082643.db2.gz LHZYPKAWFPMATK-QMMMGPOBSA-N 0 3 219.354 0.047 20 0 BCADHN CN(CCO)CCNC(=O)OC1CCCC1 ZINC000885804240 592102106 /nfs/dbraw/zinc/10/21/06/592102106.db2.gz HXKOSFBNFYPVQB-UHFFFAOYSA-N 0 3 230.308 0.579 20 0 BCADHN O=C(CCF)NC[C@@H]1CCN1C1CCOCC1 ZINC000885890586 592106516 /nfs/dbraw/zinc/10/65/16/592106516.db2.gz GUVFESGYWIMDCN-NSHDSACASA-N 0 3 244.310 0.716 20 0 BCADHN C[C@@](O)(CN1CCC[C@@H](O)C1)C(F)F ZINC000885944227 592113199 /nfs/dbraw/zinc/11/31/99/592113199.db2.gz LYNAYCSIDZKHGG-VXNVDRBHSA-N 0 3 209.236 0.459 20 0 BCADHN CN1CCN(C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000885946461 592113319 /nfs/dbraw/zinc/11/33/19/592113319.db2.gz JSFFGKZCIJHCGY-NWDGAFQWSA-N 0 3 210.321 0.660 20 0 BCADHN O=C1CCN(C[C@H]2CC[C@H](C3CC3)O2)CCN1 ZINC000885985988 592121866 /nfs/dbraw/zinc/12/18/66/592121866.db2.gz WAKIEPHUNGSLAR-VXGBXAGGSA-N 0 3 238.331 0.766 20 0 BCADHN Cc1[nH]nc(CNC[C@H](O)c2cnn(C)c2)c1C ZINC000885999212 592126351 /nfs/dbraw/zinc/12/63/51/592126351.db2.gz GFELYEGQFJJFJM-LBPRGKRZSA-N 0 3 249.318 0.583 20 0 BCADHN Cc1n[nH]c(CNC[C@H](O)c2cnn(C)c2)c1C ZINC000885999212 592126349 /nfs/dbraw/zinc/12/63/49/592126349.db2.gz GFELYEGQFJJFJM-LBPRGKRZSA-N 0 3 249.318 0.583 20 0 BCADHN C[C@](O)(CN1CC[C@](C)(O)C1)C(F)F ZINC000886032642 592128252 /nfs/dbraw/zinc/12/82/52/592128252.db2.gz KOIAIHAGNIOHNJ-IUCAKERBSA-N 0 3 209.236 0.459 20 0 BCADHN COC[C@@](C)(CO)NCc1n[nH]c(C)c1C ZINC000886010440 592130033 /nfs/dbraw/zinc/13/00/33/592130033.db2.gz JGHKTJFJSGEFMW-LLVKDONJSA-N 0 3 227.308 0.514 20 0 BCADHN C[C@@H]1CO[C@H](CO)CN1C[C@@H]1C[C@]12CCOC2 ZINC000886040681 592139536 /nfs/dbraw/zinc/13/95/36/592139536.db2.gz AKDCXXKAFVQHTC-VOAKCMCISA-N 0 3 241.331 0.495 20 0 BCADHN Cc1cn[nH]c1CNC1(C(N)=O)CCCC1 ZINC000886071015 592143544 /nfs/dbraw/zinc/14/35/44/592143544.db2.gz ZWAVUYAAJOZCAT-UHFFFAOYSA-N 0 3 222.292 0.606 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NCc1n[nH]c(C)c1C ZINC000886087517 592145509 /nfs/dbraw/zinc/14/55/09/592145509.db2.gz VMIDTTLCGUHWNN-SNVBAGLBSA-N 0 3 238.335 0.983 20 0 BCADHN Cc1cn[nH]c1CN1CCN(C)[C@@H](C)C1 ZINC000886091906 592146843 /nfs/dbraw/zinc/14/68/43/592146843.db2.gz JRMDICCPWQSRMY-JTQLQIEISA-N 0 3 208.309 0.854 20 0 BCADHN C[C@@H]1CN(C[C@@](C)(O)C(F)F)C[C@@H]1O ZINC000886100422 592154118 /nfs/dbraw/zinc/15/41/18/592154118.db2.gz NEZOCBSGXSPKSN-BKPPORCPSA-N 0 3 209.236 0.315 20 0 BCADHN C[C@](O)(CN1CCC[C@](C)(O)C1)C(F)F ZINC000886100385 592154122 /nfs/dbraw/zinc/15/41/22/592154122.db2.gz MOZPIHRDLIPAEM-UWVGGRQHSA-N 0 3 223.263 0.849 20 0 BCADHN COC[C@H](O)CNCc1[nH]nc(C)c1C ZINC000886110047 592156200 /nfs/dbraw/zinc/15/62/00/592156200.db2.gz XIWTYRNONFDZMD-SECBINFHSA-N 0 3 213.281 0.123 20 0 BCADHN COC[C@H](O)CNCc1n[nH]c(C)c1C ZINC000886110047 592156203 /nfs/dbraw/zinc/15/62/03/592156203.db2.gz XIWTYRNONFDZMD-SECBINFHSA-N 0 3 213.281 0.123 20 0 BCADHN NC(=O)C1(NC[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886118584 592157251 /nfs/dbraw/zinc/15/72/51/592157251.db2.gz KXPPOMHUOQZWGU-SNVBAGLBSA-N 0 3 238.331 0.943 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886138219 592161631 /nfs/dbraw/zinc/16/16/31/592161631.db2.gz DVWQLVRNSZRYPN-RNJOBUHISA-N 0 3 241.331 0.372 20 0 BCADHN CC[C@H](NCc1n[nH]c(C)c1C)C(=O)NC ZINC000886138110 592161879 /nfs/dbraw/zinc/16/18/79/592161879.db2.gz BTQPIKYHJJNDFU-VIFPVBQESA-N 0 3 224.308 0.641 20 0 BCADHN Cc1n[nH]c(CNCC2(CC(N)=O)CC2)c1C ZINC000886149310 592163850 /nfs/dbraw/zinc/16/38/50/592163850.db2.gz LEYPWOZRWNJFFT-UHFFFAOYSA-N 0 3 236.319 0.772 20 0 BCADHN CC[C@]1(O)CCN(C[C@](C)(O)C(F)F)C1 ZINC000886147277 592163915 /nfs/dbraw/zinc/16/39/15/592163915.db2.gz ODZHIGJAYPMXHS-UWVGGRQHSA-N 0 3 223.263 0.849 20 0 BCADHN CCN(CC(N)=O)C[C@@H]1C[C@]12CCOC2 ZINC000886166825 592167368 /nfs/dbraw/zinc/16/73/68/592167368.db2.gz SVBNMXASBITMGD-ONGXEEELSA-N 0 3 212.293 0.220 20 0 BCADHN Cc1coc(CNCCN2CC[C@H](O)C2)c1 ZINC000886173545 592169937 /nfs/dbraw/zinc/16/99/37/592169937.db2.gz SCDXJICZVHQSJA-NSHDSACASA-N 0 3 224.304 0.744 20 0 BCADHN c1nc2cnccn2c1CN[C@]12C[C@H]1COC2 ZINC000886200432 592174724 /nfs/dbraw/zinc/17/47/24/592174724.db2.gz LHPPDZIXORCGAR-CABZTGNLSA-N 0 3 230.271 0.608 20 0 BCADHN C[C@](O)(CN1C[C@H]2[C@H](CO)[C@H]2C1)C(F)F ZINC000886215068 592178175 /nfs/dbraw/zinc/17/81/75/592178175.db2.gz CTHGVXGDFCXJOX-WHQQTDPMSA-N 0 3 221.247 0.173 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(C[C@@](C)(O)C(F)F)C[C@@H]21 ZINC000886215843 592178481 /nfs/dbraw/zinc/17/84/81/592178481.db2.gz SBRCWNOYFRVMOD-OFHVYEONSA-N 0 3 249.257 0.353 20 0 BCADHN OC[C@H](C[C@H]1CCCO1)NCc1cn[nH]c1 ZINC000886219949 592179043 /nfs/dbraw/zinc/17/90/43/592179043.db2.gz AKLNVYBKTJEKDX-WDEREUQCSA-N 0 3 225.292 0.429 20 0 BCADHN Cn1nccc1CN[C@@H](CO)C[C@@H]1CCCO1 ZINC000886229354 592180970 /nfs/dbraw/zinc/18/09/70/592180970.db2.gz OIQGCGYUYJPQNP-PWSUYJOCSA-N 0 3 239.319 0.440 20 0 BCADHN Cn1cncc1CN[C@H](CO)C[C@@H]1CCCO1 ZINC000886229970 592181089 /nfs/dbraw/zinc/18/10/89/592181089.db2.gz YLHKKHMJSJTURA-JQWIXIFHSA-N 0 3 239.319 0.440 20 0 BCADHN Cn1cc(CN[C@H](CO)C[C@@H]2CCCO2)cn1 ZINC000886229915 592181445 /nfs/dbraw/zinc/18/14/45/592181445.db2.gz XSDBVWXWOXYKQG-RYUDHWBXSA-N 0 3 239.319 0.440 20 0 BCADHN Cc1ccc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886241334 592183507 /nfs/dbraw/zinc/18/35/07/592183507.db2.gz VEXMEAUZZFUZEV-XYYAHUGASA-N 0 3 221.300 0.969 20 0 BCADHN Cn1nccc1[C@H](CO)NCCCCCCO ZINC000886243301 592183877 /nfs/dbraw/zinc/18/38/77/592183877.db2.gz UVDSIYULGNCALV-NSHDSACASA-N 0 3 241.335 0.596 20 0 BCADHN O[C@@H]1C[C@@H](NCc2cccc3nccn32)C[C@@H]1O ZINC000886244847 592184730 /nfs/dbraw/zinc/18/47/30/592184730.db2.gz BORDLZMRWBGSBI-WLLOZRIZSA-N 0 3 247.298 0.308 20 0 BCADHN CC(C)n1nccc1CN[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886247486 592184965 /nfs/dbraw/zinc/18/49/65/592184965.db2.gz SCIHUULSXGSLTL-WLLOZRIZSA-N 0 3 239.319 0.438 20 0 BCADHN O[C@@H]1C[C@H](NCc2ccc(F)nc2)C[C@@H]1O ZINC000886253854 592187300 /nfs/dbraw/zinc/18/73/00/592187300.db2.gz MCGBSTPTAWPEOW-ILWJIGKKSA-N 0 3 226.251 0.195 20 0 BCADHN O[C@@H]1C[C@H](NCc2ccns2)C[C@@H]1O ZINC000886253866 592187522 /nfs/dbraw/zinc/18/75/22/592187522.db2.gz MPNOFNARCAWWAI-ZFRGLUTLSA-N 0 3 214.290 0.117 20 0 BCADHN O[C@@H]1C[C@H](NCc2cnc(C3CC3)nc2)C[C@@H]1O ZINC000886253930 592187692 /nfs/dbraw/zinc/18/76/92/592187692.db2.gz PAMGYOZFLDADHY-ZSBIGDGJSA-N 0 3 249.314 0.328 20 0 BCADHN CCc1ncc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)cn1 ZINC000886253842 592187743 /nfs/dbraw/zinc/18/77/43/592187743.db2.gz LRDXMWZRVWDGHQ-JGPRNRPPSA-N 0 3 237.303 0.013 20 0 BCADHN O[C@@H]1C[C@H](NCc2cc3cnccc3o2)C[C@@H]1O ZINC000886253697 592187798 /nfs/dbraw/zinc/18/77/98/592187798.db2.gz FYBARGJQISLRBF-YHPBZONMSA-N 0 3 248.282 0.802 20 0 BCADHN Cc1ncccc1CN[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886255666 592188063 /nfs/dbraw/zinc/18/80/63/592188063.db2.gz FCRMQFSQWURPGR-ZSBIGDGJSA-N 0 3 222.288 0.364 20 0 BCADHN Cc1ccccc1CN[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886257911 592188886 /nfs/dbraw/zinc/18/88/86/592188886.db2.gz PBTSYJBPYNHQBQ-CLLJXQQHSA-N 0 3 221.300 0.969 20 0 BCADHN COc1ccccc1CN[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886257746 592188919 /nfs/dbraw/zinc/18/89/19/592188919.db2.gz KATTYXPTVMDGEZ-ZSBIGDGJSA-N 0 3 237.299 0.669 20 0 BCADHN Cc1n[nH]cc1CN[C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC000886260312 592188927 /nfs/dbraw/zinc/18/89/27/592188927.db2.gz UDUSVPNKKJKFFX-CNDDSTCGSA-N 0 3 239.319 0.472 20 0 BCADHN O[C@@H]1CC[C@H](NCc2cccnc2)CC[C@@H]1O ZINC000886258254 592188978 /nfs/dbraw/zinc/18/89/78/592188978.db2.gz ZINDFLUSQIOVND-CLLJXQQHSA-N 0 3 236.315 0.836 20 0 BCADHN O[C@@H]1CC[C@@H](NCc2ccncc2)CC[C@@H]1O ZINC000886258143 592189308 /nfs/dbraw/zinc/18/93/08/592189308.db2.gz WZBRSMRPVCOFTM-XYYAHUGASA-N 0 3 236.315 0.836 20 0 BCADHN O[C@@H]1CC[C@H](NCc2ccns2)CC[C@@H]1O ZINC000886262574 592189877 /nfs/dbraw/zinc/18/98/77/592189877.db2.gz UZPLWPNNDADMPA-GUDFOSOFSA-N 0 3 242.344 0.897 20 0 BCADHN CC1(C(N)=O)CN(C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886264347 592190242 /nfs/dbraw/zinc/19/02/42/592190242.db2.gz XGWNULRTPPBXQQ-QWRGUYRKSA-N 0 3 238.331 0.751 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@H]1CC[C@H](C2CC2)O1 ZINC000886265933 592191411 /nfs/dbraw/zinc/19/14/11/592191411.db2.gz VMYQSHHIMLTYRP-FDYHWXHSSA-N 0 3 241.331 0.947 20 0 BCADHN C[NH+]1CCC(C(=O)NCc2cncc([O-])c2)CC1 ZINC000886273172 592192768 /nfs/dbraw/zinc/19/27/68/592192768.db2.gz PEGUFMOMIXOUOQ-UHFFFAOYSA-N 0 3 249.314 0.745 20 0 BCADHN C[C@](O)(CN1C[C@@H]2C[C@]2(O)C1)C(F)F ZINC000886318333 592207706 /nfs/dbraw/zinc/20/77/06/592207706.db2.gz QIGGZTUGIOMEOI-XVYDVKMFSA-N 0 3 207.220 0.069 20 0 BCADHN C[NH+](C)CC1(C(=O)NCc2cncc([O-])c2)CC1 ZINC000886273253 592193660 /nfs/dbraw/zinc/19/36/60/592193660.db2.gz RLCXTMNHWVSMPG-UHFFFAOYSA-N 0 3 249.314 0.745 20 0 BCADHN C[N@@H+]1CC[C@H](C(=O)NCc2cncc([O-])c2)C1 ZINC000886275457 592195601 /nfs/dbraw/zinc/19/56/01/592195601.db2.gz ZPTNRESRJYIRSG-JTQLQIEISA-N 0 3 235.287 0.355 20 0 BCADHN C[N@H+]1CC[C@H](C(=O)NCc2cncc([O-])c2)C1 ZINC000886275457 592195602 /nfs/dbraw/zinc/19/56/02/592195602.db2.gz ZPTNRESRJYIRSG-JTQLQIEISA-N 0 3 235.287 0.355 20 0 BCADHN C[C@@](O)(CN1CC[C@@]2(O)C[C@H]2C1)C(F)F ZINC000886280279 592198501 /nfs/dbraw/zinc/19/85/01/592198501.db2.gz BGANXCFJEDHWAQ-FXBDTBDDSA-N 0 3 221.247 0.459 20 0 BCADHN CC(C)N(C)CC(=O)NCc1cncc(O)c1 ZINC000886279581 592198546 /nfs/dbraw/zinc/19/85/46/592198546.db2.gz CCEZSKVQYUNBEG-UHFFFAOYSA-N 0 3 237.303 0.744 20 0 BCADHN CC(C)[N@H+](C)CC(=O)NCc1cncc([O-])c1 ZINC000886279581 592198547 /nfs/dbraw/zinc/19/85/47/592198547.db2.gz CCEZSKVQYUNBEG-UHFFFAOYSA-N 0 3 237.303 0.744 20 0 BCADHN CC(C)[N@@H+](C)CC(=O)NCc1cncc([O-])c1 ZINC000886279581 592198548 /nfs/dbraw/zinc/19/85/48/592198548.db2.gz CCEZSKVQYUNBEG-UHFFFAOYSA-N 0 3 237.303 0.744 20 0 BCADHN O=c1[nH]ccn2c(CNC3CCCCC3)nnc12 ZINC000886292063 592201718 /nfs/dbraw/zinc/20/17/18/592201718.db2.gz CMQMTHOQZQUUBM-UHFFFAOYSA-N 0 3 247.302 0.840 20 0 BCADHN C[C@@H]1CCN(C[C@@](C)(O)C(F)F)C[C@H]1CO ZINC000886295621 592201845 /nfs/dbraw/zinc/20/18/45/592201845.db2.gz DCZUEKHDAFRZPK-WCABBAIRSA-N 0 3 237.290 0.953 20 0 BCADHN C[C@@H]1CC[C@H](NCc2nnc3c(=O)[nH]ccn23)C1 ZINC000886290696 592202169 /nfs/dbraw/zinc/20/21/69/592202169.db2.gz LQXCXBCBONGREA-BDAKNGLRSA-N 0 3 247.302 0.696 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CC[C@@H]1C(=O)OC ZINC000886314723 592206715 /nfs/dbraw/zinc/20/67/15/592206715.db2.gz JOKDYGQYSZNGMJ-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CC[C@@H]1C(=O)OC ZINC000886315971 592206981 /nfs/dbraw/zinc/20/69/81/592206981.db2.gz JYSCEMVZXGOMHH-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN CCn1nccc1CNCCN1CCNC1=O ZINC000886323841 592208209 /nfs/dbraw/zinc/20/82/09/592208209.db2.gz MQDOSMVQEREINS-UHFFFAOYSA-N 0 3 237.307 0.018 20 0 BCADHN CCCCCCN(C)CC(=O)N[C@H](C)CO ZINC000137783872 592220860 /nfs/dbraw/zinc/22/08/60/592220860.db2.gz LUDKFVMBLHOSHD-LLVKDONJSA-N 0 3 230.352 0.996 20 0 BCADHN c1nnn2c1CN(C[C@H]1C[C@@]13CCOC3)CCC2 ZINC000886468499 592229908 /nfs/dbraw/zinc/22/99/08/592229908.db2.gz DHIJIQZQUQWPIF-DGCLKSJQSA-N 0 3 248.330 0.910 20 0 BCADHN COC(=O)[C@H]1CC[C@@H](NCC(=O)NC(C)C)C1 ZINC000886493314 592237297 /nfs/dbraw/zinc/23/72/97/592237297.db2.gz DMZATHPQCGCZQC-VHSXEESVSA-N 0 3 242.319 0.442 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@@H]2CSC[C@@H]2C1 ZINC000886555584 592258627 /nfs/dbraw/zinc/25/86/27/592258627.db2.gz WLRVFBZSCPPHMI-BBBLOLIVSA-N 0 3 240.372 0.948 20 0 BCADHN C[S@@](=O)CCN1C[C@@H]2CSC[C@@H]2C1 ZINC000886570334 592263044 /nfs/dbraw/zinc/26/30/44/592263044.db2.gz HUICVVCHHOBRRQ-VYUIOLGVSA-N 0 3 219.375 0.660 20 0 BCADHN O[C@H](CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)c1ccccn1 ZINC000886571664 592263737 /nfs/dbraw/zinc/26/37/37/592263737.db2.gz DCMMWMBEONTULP-UZGDPCLZSA-N 0 3 248.326 0.818 20 0 BCADHN COC(=O)[C@@H]1CC[C@H](NCC(=O)N(C)C)C1 ZINC000886581673 592268704 /nfs/dbraw/zinc/26/87/04/592268704.db2.gz ITQUWLQOJGDSCH-BDAKNGLRSA-N 0 3 228.292 0.006 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CC[C@@H](C(=O)OC)C1 ZINC000886594308 592271140 /nfs/dbraw/zinc/27/11/40/592271140.db2.gz JQFKSXIEHDPXBT-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN NC(=O)[C@H]1C[C@@H](N[C@@H]2CCc3cccnc32)C1 ZINC000886631361 592283084 /nfs/dbraw/zinc/28/30/84/592283084.db2.gz KVKNXEHTHRGCSO-OUAUKWLOSA-N 0 3 231.299 0.922 20 0 BCADHN CCSCCNCCS(=O)(=O)CC ZINC000220674949 592322246 /nfs/dbraw/zinc/32/22/46/592322246.db2.gz BVIBCYWQCRTQPK-UHFFFAOYSA-N 0 3 225.379 0.764 20 0 BCADHN COCCN1CC[C@](CO)(C(F)(F)F)C1 ZINC000886793506 592326165 /nfs/dbraw/zinc/32/61/65/592326165.db2.gz MQWXQKCIRGTZIZ-QMMMGPOBSA-N 0 3 227.226 0.880 20 0 BCADHN CNC(=O)CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886819678 592342266 /nfs/dbraw/zinc/34/22/66/592342266.db2.gz VLJUGVXXGHMWPP-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886832885 592356472 /nfs/dbraw/zinc/35/64/72/592356472.db2.gz OSIZJIKDTXGBOD-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCNC(=O)CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886837417 592358616 /nfs/dbraw/zinc/35/86/16/592358616.db2.gz GXYYNYWLLDXXJD-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@H]2CC[C@H](C)O2)C1 ZINC000886854682 592366465 /nfs/dbraw/zinc/36/64/65/592366465.db2.gz XVZBENRMPQPDNN-GARJFASQSA-N 0 3 242.319 0.984 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@H]2CC[C@@H](C)O2)C1 ZINC000886854683 592366481 /nfs/dbraw/zinc/36/64/81/592366481.db2.gz XVZBENRMPQPDNN-OUAUKWLOSA-N 0 3 242.319 0.984 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@@H](OC)C2CC2)C1 ZINC000886850578 592366988 /nfs/dbraw/zinc/36/69/88/592366988.db2.gz KVRBOPAXVSOPNW-WDEREUQCSA-N 0 3 242.319 0.842 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@H](OC)C2CC2)C1 ZINC000886850577 592367590 /nfs/dbraw/zinc/36/75/90/592367590.db2.gz KVRBOPAXVSOPNW-QWRGUYRKSA-N 0 3 242.319 0.842 20 0 BCADHN COCC[C@H](C)N1CC[C@H](NC(=O)OC)C1 ZINC000886861784 592372797 /nfs/dbraw/zinc/37/27/97/592372797.db2.gz LTKONQMTNDPIAY-UWVGGRQHSA-N 0 3 230.308 0.842 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CO)C1 ZINC000886880351 592381059 /nfs/dbraw/zinc/38/10/59/592381059.db2.gz MZRPHKOWVCVPAX-IJLUTSLNSA-N 0 3 240.347 0.746 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1C[C@H](CO)C1)N(C)C ZINC000886891456 592388314 /nfs/dbraw/zinc/38/83/14/592388314.db2.gz VICUTGNZEZJUSU-GMTAPVOTSA-N 0 3 228.336 0.460 20 0 BCADHN COC[C@H](NCC(OC)OC)[C@@H]1CCCOC1 ZINC000886916488 592395942 /nfs/dbraw/zinc/39/59/42/592395942.db2.gz VSYMJQVHVIQLJL-MNOVXSKESA-N 0 3 247.335 0.637 20 0 BCADHN CNC(=O)CNCC1(C2(O)CCC2)CCC1 ZINC000886973905 592402996 /nfs/dbraw/zinc/40/29/96/592402996.db2.gz HBYBBQVJAFUCBR-UHFFFAOYSA-N 0 3 226.320 0.407 20 0 BCADHN CC[C@H](C)[C@H](NC[C@H]1COC(C)(C)O1)C(N)=O ZINC000887055839 592432387 /nfs/dbraw/zinc/43/23/87/592432387.db2.gz NRCSJAIXGVFPAL-GUBZILKMSA-N 0 3 244.335 0.628 20 0 BCADHN CC[C@H](C)[C@H](NCCc1cncn1C)C(N)=O ZINC000887056032 592433007 /nfs/dbraw/zinc/43/30/07/592433007.db2.gz XJPJOBORAJTXKB-ONGXEEELSA-N 0 3 238.335 0.452 20 0 BCADHN CC[C@H](C)[C@H](NCC[C@H]1CCOC1=O)C(N)=O ZINC000887059388 592433330 /nfs/dbraw/zinc/43/33/30/592433330.db2.gz SMWJIPUWYGOESB-GUBZILKMSA-N 0 3 242.319 0.429 20 0 BCADHN CC[C@H](C)[C@H](NCc1ccnc(N)c1)C(N)=O ZINC000887057445 592433589 /nfs/dbraw/zinc/43/35/89/592433589.db2.gz GGULKJFGVRPZBH-KWQFWETISA-N 0 3 236.319 0.653 20 0 BCADHN CNC(=O)C1(NCC=C(C)C)CCOCC1 ZINC000887084875 592437827 /nfs/dbraw/zinc/43/78/27/592437827.db2.gz RELQOQKKBKEJBL-UHFFFAOYSA-N 0 3 226.320 0.837 20 0 BCADHN CC[C@H](CNC1(C(=O)NC)CCOCC1)OC ZINC000887091399 592438612 /nfs/dbraw/zinc/43/86/12/592438612.db2.gz JDRYUQZNYHSFJO-SNVBAGLBSA-N 0 3 244.335 0.296 20 0 BCADHN CCC[C@H](O)CNC1(C(=O)NC)CCOCC1 ZINC000887091275 592438891 /nfs/dbraw/zinc/43/88/91/592438891.db2.gz GIZXBECECICINW-JTQLQIEISA-N 0 3 244.335 0.032 20 0 BCADHN C[C@@H](C(N)=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000887130238 592448935 /nfs/dbraw/zinc/44/89/35/592448935.db2.gz ABOCJVCJZYEGMX-MNOVXSKESA-N 0 3 248.330 0.466 20 0 BCADHN CN(CCCF)CCc1cn(C)nn1 ZINC000887142356 592459157 /nfs/dbraw/zinc/45/91/57/592459157.db2.gz GVMIMVSNQVXPAW-UHFFFAOYSA-N 0 3 200.261 0.649 20 0 BCADHN COCC[C@H](N)C(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000300022472 592499982 /nfs/dbraw/zinc/49/99/82/592499982.db2.gz VRNVSWUDQNJSLB-OUAUKWLOSA-N 0 3 244.335 0.234 20 0 BCADHN COCC[C@H](N)C(=O)N[C@H]1CC[C@H](SC)C1 ZINC000300390854 592510305 /nfs/dbraw/zinc/51/03/05/592510305.db2.gz RZBVIJFFAQDFTF-GUBZILKMSA-N 0 3 246.376 0.751 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H]1CC[C@H](SC)C1 ZINC000300390855 592510327 /nfs/dbraw/zinc/51/03/27/592510327.db2.gz RZBVIJFFAQDFTF-UTLUCORTSA-N 0 3 246.376 0.751 20 0 BCADHN CC(C)[C@H](N)c1cn(C[C@@](C)(O)C(F)F)nn1 ZINC000887465177 592510804 /nfs/dbraw/zinc/51/08/04/592510804.db2.gz STGYCPJYJLQTMB-WCBMZHEXSA-N 0 3 248.277 0.950 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1CCO[C@H](C)C1 ZINC000223067205 592515636 /nfs/dbraw/zinc/51/56/36/592515636.db2.gz ZJRGBDHWRAQTRY-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@@H](O)C(C)C)C1 ZINC000300930874 592525778 /nfs/dbraw/zinc/52/57/78/592525778.db2.gz VYBNRJRXDMSTNM-VHSXEESVSA-N 0 3 230.308 0.434 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000302692019 592552247 /nfs/dbraw/zinc/55/22/47/592552247.db2.gz SUNUMUCTTDTFTE-JQWIXIFHSA-N 0 3 237.347 0.467 20 0 BCADHN COC[C@H]1CCCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000302692014 592552277 /nfs/dbraw/zinc/55/22/77/592552277.db2.gz SUEVSBAWWDVLEI-RYUDHWBXSA-N 0 3 240.347 0.999 20 0 BCADHN CN1C[C@@H]2CN(C(=O)c3cccnn3)C[C@]2(C)C1 ZINC000887921467 592558847 /nfs/dbraw/zinc/55/88/47/592558847.db2.gz IXDJSFWTPKUEBD-MFKMUULPSA-N 0 3 246.314 0.500 20 0 BCADHN COC(=O)[C@H]1CCN1C(=O)C1(N(C)C)CCC1 ZINC000888061100 592570256 /nfs/dbraw/zinc/57/02/56/592570256.db2.gz YFQMMNAGVJZUIR-SECBINFHSA-N 0 3 240.303 0.245 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]1CO ZINC000889165131 592586755 /nfs/dbraw/zinc/58/67/55/592586755.db2.gz SMRLFFZIFIWDFX-QWRGUYRKSA-N 0 3 226.320 0.452 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000889207320 592588695 /nfs/dbraw/zinc/58/86/95/592588695.db2.gz ZJTNQMBTXKHLNX-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000889207323 592588730 /nfs/dbraw/zinc/58/87/30/592588730.db2.gz ZJTNQMBTXKHLNX-TUAOUCFPSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12)S(C)(=O)=O ZINC000889587420 592620859 /nfs/dbraw/zinc/62/08/59/592620859.db2.gz MQVQBKNXIOXMBH-XFWSIPNHSA-N 0 3 245.344 0.724 20 0 BCADHN CC[C@@H](C(=O)NCc1nnc(C)[nH]1)N(C)C ZINC000889698912 592647288 /nfs/dbraw/zinc/64/72/88/592647288.db2.gz YDQOJZFIQCYASH-QMMMGPOBSA-N 0 3 225.296 0.070 20 0 BCADHN CC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889779072 592653481 /nfs/dbraw/zinc/65/34/81/592653481.db2.gz CTFJEMHWQQSNAB-MNOVXSKESA-N 0 3 212.293 0.064 20 0 BCADHN CCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889782670 592653641 /nfs/dbraw/zinc/65/36/41/592653641.db2.gz UPVLLGYHOUVYHL-MNOVXSKESA-N 0 3 226.320 0.454 20 0 BCADHN O=C(C1CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889781431 592653691 /nfs/dbraw/zinc/65/36/91/592653691.db2.gz OOZABVVWFPXWAM-RYUDHWBXSA-N 0 3 238.331 0.454 20 0 BCADHN CC1(C(=O)NCCN2CCC(C)(C)C2)COC1 ZINC000890072008 592673348 /nfs/dbraw/zinc/67/33/48/592673348.db2.gz GNJMJSXNZNGMLZ-UHFFFAOYSA-N 0 3 240.347 0.871 20 0 BCADHN CC1(C)CCN(CCNC(=O)c2ccnnc2)C1 ZINC000890075952 592675673 /nfs/dbraw/zinc/67/56/73/592675673.db2.gz UMHKUHUIDZXDNY-UHFFFAOYSA-N 0 3 248.330 0.938 20 0 BCADHN O=C(NC[C@H](O)CN1CCCCC1)OCCF ZINC000826540330 592703695 /nfs/dbraw/zinc/70/36/95/592703695.db2.gz WIGPGHPNUGDSJK-JTQLQIEISA-N 0 3 248.298 0.529 20 0 BCADHN C[NH2+]CCN(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095309225 599030555 /nfs/dbraw/zinc/03/05/55/599030555.db2.gz XDEQHDNTABEERX-UHFFFAOYSA-N 0 3 246.318 0.518 20 0 BCADHN C[NH2+]CCN(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095309225 599030557 /nfs/dbraw/zinc/03/05/57/599030557.db2.gz XDEQHDNTABEERX-UHFFFAOYSA-N 0 3 246.318 0.518 20 0 BCADHN CCCCNC(=O)[C@H](C)n1cc([C@H](C)N)nn1 ZINC000124165257 592716270 /nfs/dbraw/zinc/71/62/70/592716270.db2.gz GNAFMPDRJAHGGH-IUCAKERBSA-N 0 3 239.323 0.775 20 0 BCADHN COc1ncccc1Cn1cc([C@@H](C)N)nn1 ZINC000124255244 592717494 /nfs/dbraw/zinc/71/74/94/592717494.db2.gz UXQYKKRETRBIJC-MRVPVSSYSA-N 0 3 233.275 0.750 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)n1cc([C@@H](C)N)nn1 ZINC000124338778 592717808 /nfs/dbraw/zinc/71/78/08/592717808.db2.gz LSBHZKGFWCEDIF-RKDXNWHRSA-N 0 3 239.323 0.727 20 0 BCADHN C[C@H](N)c1cn(CC(=O)NCc2ccco2)nn1 ZINC000124309646 592717867 /nfs/dbraw/zinc/71/78/67/592717867.db2.gz PEKMHLPQVHKZKW-QMMMGPOBSA-N 0 3 249.274 0.207 20 0 BCADHN CCN(CC)C(=O)[C@H](C)n1cc([C@H](C)N)nn1 ZINC000124339243 592717910 /nfs/dbraw/zinc/71/79/10/592717910.db2.gz LSBHZKGFWCEDIF-IUCAKERBSA-N 0 3 239.323 0.727 20 0 BCADHN O=C([O-])[C@@H](c1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000738524014 600400552 /nfs/dbraw/zinc/40/05/52/600400552.db2.gz GKCZUBOXJGAIBY-FRRDWIJNSA-N 0 3 246.310 0.964 20 0 BCADHN CCN(C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)[O-])C1 ZINC000389972995 601039428 /nfs/dbraw/zinc/03/94/28/601039428.db2.gz CZAPSCSCDBDRQZ-VHSXEESVSA-N 0 3 214.309 0.733 20 0 BCADHN CCN(C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)[O-])C1 ZINC000389972995 601039430 /nfs/dbraw/zinc/03/94/30/601039430.db2.gz CZAPSCSCDBDRQZ-VHSXEESVSA-N 0 3 214.309 0.733 20 0 BCADHN CC[N@@H+]1CC[C@H](NCCNC(=O)[O-])[C@@H](C)C1 ZINC000739458839 603070497 /nfs/dbraw/zinc/07/04/97/603070497.db2.gz YHYVIUAIZUXSQP-UWVGGRQHSA-N 0 3 229.324 0.574 20 0 BCADHN CC[N@H+]1CC[C@H](NCCNC(=O)[O-])[C@@H](C)C1 ZINC000739458839 603070503 /nfs/dbraw/zinc/07/05/03/603070503.db2.gz YHYVIUAIZUXSQP-UWVGGRQHSA-N 0 3 229.324 0.574 20 0 BCADHN C[C@H](CO)[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824440570 607957032 /nfs/dbraw/zinc/95/70/32/607957032.db2.gz GDSREPMQTWZXGL-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](CO)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824440570 607957033 /nfs/dbraw/zinc/95/70/33/607957033.db2.gz GDSREPMQTWZXGL-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](CO)[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824440570 607957034 /nfs/dbraw/zinc/95/70/34/607957034.db2.gz GDSREPMQTWZXGL-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](CO)[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824440570 607957035 /nfs/dbraw/zinc/95/70/35/607957035.db2.gz GDSREPMQTWZXGL-SECBINFHSA-N 0 3 247.302 0.679 20 0 BCADHN COC[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000095245374 608757455 /nfs/dbraw/zinc/75/74/55/608757455.db2.gz JQVBKBKHKHVVFT-SECBINFHSA-N 0 3 247.302 0.991 20 0 BCADHN COC[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000095245374 608757457 /nfs/dbraw/zinc/75/74/57/608757457.db2.gz JQVBKBKHKHVVFT-SECBINFHSA-N 0 3 247.302 0.991 20 0 BCADHN CO[C@@H](CN1CCN(C)[C@H](CO)C1)C1CCC1 ZINC000931399611 634391824 /nfs/dbraw/zinc/39/18/24/634391824.db2.gz GPTVBGBSBKZTBW-STQMWFEESA-N 0 3 242.363 0.410 20 0 BCADHN C[C@H]1CCN(Cc2cnc(N)cn2)[C@H]1CO ZINC000299970891 634404992 /nfs/dbraw/zinc/40/49/92/634404992.db2.gz WCDHIVMUVXDOEW-WPRPVWTQSA-N 0 3 222.292 0.262 20 0 BCADHN CC(C)NC(=O)[C@@H](C)N[C@@H]1COCC1(C)C ZINC000312991212 634425520 /nfs/dbraw/zinc/42/55/20/634425520.db2.gz CTMBLQMSICOGGP-NXEZZACHSA-N 0 3 228.336 0.914 20 0 BCADHN Cn1cncc1CN[C@H]1COCC1(C)C ZINC000312981197 634427597 /nfs/dbraw/zinc/42/75/97/634427597.db2.gz QIDNSUDGVZFEGG-JTQLQIEISA-N 0 3 209.293 0.935 20 0 BCADHN CC1(C)COC[C@@H]1NCC1(S(C)(=O)=O)CC1 ZINC000312988897 634425721 /nfs/dbraw/zinc/42/57/21/634425721.db2.gz VWKHQYOLBAEQBX-VIFPVBQESA-N 0 3 247.360 0.578 20 0 BCADHN CCCS(=O)(=O)CCN[C@H]1COCC1(C)C ZINC000313018120 634439525 /nfs/dbraw/zinc/43/95/25/634439525.db2.gz QJIKGRWJFBKOKM-JTQLQIEISA-N 0 3 249.376 0.826 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@@H]1COCC1(C)C ZINC000313037216 634441228 /nfs/dbraw/zinc/44/12/28/634441228.db2.gz LFWVDDZXAPXYLF-RKDXNWHRSA-N 0 3 214.309 0.526 20 0 BCADHN O=C1[C@H](N2CCCC2)CCN1C1CCOCC1 ZINC000334146186 634449672 /nfs/dbraw/zinc/44/96/72/634449672.db2.gz BPRNUKIXCGWGSA-GFCCVEGCSA-N 0 3 238.331 0.862 20 0 BCADHN CCN1C[C@@H](NC(=O)c2cccnn2)C(C)(C)C1 ZINC000977390038 634537269 /nfs/dbraw/zinc/53/72/69/634537269.db2.gz LJSBJLZZCDGWMY-LLVKDONJSA-N 0 3 248.330 0.937 20 0 BCADHN CC(=O)NC[C@@H]1[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC000977679941 634555002 /nfs/dbraw/zinc/55/50/02/634555002.db2.gz REQLJZLGBHHGFT-ZSOGYDGISA-N 0 3 245.326 0.896 20 0 BCADHN C[C@H](NC[C@H](O)C1(O)CCC1)c1ccnn1C ZINC000931560044 634589789 /nfs/dbraw/zinc/58/97/89/634589789.db2.gz MCRZPRYTGZMSCA-ONGXEEELSA-N 0 3 239.319 0.347 20 0 BCADHN COC[C@@H](C)N1CC[C@H](NC(=O)C2CC2)C1 ZINC001009841695 634602078 /nfs/dbraw/zinc/60/20/78/634602078.db2.gz MURAYOCTQWGMGU-KOLCDFICSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](O)CN1CC[C@H](NC(=O)C2CCCC2)C1 ZINC001009874251 634610496 /nfs/dbraw/zinc/61/04/96/634610496.db2.gz PVKFVVSMWMRXPR-PWSUYJOCSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H](C[C@@H]1CCC(=O)N1)NCc1ccn(C)n1 ZINC000310117538 634614860 /nfs/dbraw/zinc/61/48/60/634614860.db2.gz UHFQNGHWWVMSOT-UWVGGRQHSA-N 0 3 236.319 0.567 20 0 BCADHN CC[C@H](C)C(=O)N1CCCN(CCCO)CC1 ZINC000980717573 635261784 /nfs/dbraw/zinc/26/17/84/635261784.db2.gz NMMHNAUTYRVTOJ-LBPRGKRZSA-N 0 3 242.363 0.949 20 0 BCADHN CC[C@H](CO)NCc1n[nH]c(C(C)(C)C)n1 ZINC000931771376 635334824 /nfs/dbraw/zinc/33/48/24/635334824.db2.gz FQGLSRJKHXEIEW-MRVPVSSYSA-N 0 3 226.324 0.963 20 0 BCADHN Cc1cc(N[C@@H](C)C(=O)NC(C)C)nc(N)n1 ZINC000228054336 635457474 /nfs/dbraw/zinc/45/74/74/635457474.db2.gz NEBVFWAULTWUFL-QMMMGPOBSA-N 0 3 237.307 0.692 20 0 BCADHN CCCN1CCC[C@H]1CNC(=O)c1cnon1 ZINC001028215907 635492848 /nfs/dbraw/zinc/49/28/48/635492848.db2.gz BRFIFXHPCJPKBL-VIFPVBQESA-N 0 3 238.291 0.674 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@H]1C[C@H](O)C1(C)C ZINC000232807108 635515755 /nfs/dbraw/zinc/51/57/55/635515755.db2.gz YUBVWIVCCZCMMD-UWVGGRQHSA-N 0 3 249.376 0.559 20 0 BCADHN CCCS(=O)(=O)CCN[C@@H]1CCC[C@H]1OC ZINC000233255123 635529615 /nfs/dbraw/zinc/52/96/15/635529615.db2.gz AFYWPEAUVYBVTN-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN c1cnnc(NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000090794674 631216017 /nfs/dbraw/zinc/21/60/17/631216017.db2.gz UFTCNUYWTOGWLW-GHMZBOCLSA-N 0 3 234.303 0.752 20 0 BCADHN CO[C@H]1CCCN(c2cc(C)nc(N)n2)C1 ZINC000076291090 631291656 /nfs/dbraw/zinc/29/16/56/631291656.db2.gz HMDOVSTZYIDOCY-VIFPVBQESA-N 0 3 222.292 0.982 20 0 BCADHN CCN(C)C(=O)CN[C@]12C[C@H]1COC21CCC1 ZINC000933392310 631357982 /nfs/dbraw/zinc/35/79/82/631357982.db2.gz NGJCRAHBIADRQG-GXFFZTMASA-N 0 3 238.331 0.766 20 0 BCADHN COC[C@@H](C)NC(=O)[C@@H](N)CC1CC1 ZINC000308497345 631400426 /nfs/dbraw/zinc/40/04/26/631400426.db2.gz UFHDIHXMHWXLES-APPZFPTMSA-N 0 3 200.282 0.265 20 0 BCADHN CS(=O)(=O)CCN[C@@H]1CCC(F)(F)C1 ZINC000308490721 631401358 /nfs/dbraw/zinc/40/13/58/631401358.db2.gz BLMZZAMMUPXGLV-SSDOTTSWSA-N 0 3 227.276 0.808 20 0 BCADHN CC(C)(C)SCCN1C[C@@H](O)[C@@H](O)C1 ZINC000308524875 631422176 /nfs/dbraw/zinc/42/21/76/631422176.db2.gz IQYVXRUWQDQMOM-DTORHVGOSA-N 0 3 219.350 0.556 20 0 BCADHN CN1CCN(C)CCN(Cc2c[nH]cn2)CC1 ZINC000933993462 631579647 /nfs/dbraw/zinc/57/96/47/631579647.db2.gz LVPUYIMOOMASKJ-UHFFFAOYSA-N 0 3 237.351 0.089 20 0 BCADHN COc1cc(C(=O)N(C)CCN(C)C)ncn1 ZINC000934008716 631583898 /nfs/dbraw/zinc/58/38/98/631583898.db2.gz YTKULAQIXZUHTM-UHFFFAOYSA-N 0 3 238.291 0.119 20 0 BCADHN CCn1cc(CCN2CC[C@H]2CO)cn1 ZINC000934014711 631587327 /nfs/dbraw/zinc/58/73/27/631587327.db2.gz NYJNASNLZMPVKB-NSHDSACASA-N 0 3 209.293 0.512 20 0 BCADHN CCC[C@H](O)C(=O)N(C)CCN(C)C ZINC000934011890 631587587 /nfs/dbraw/zinc/58/75/87/631587587.db2.gz QYLHJRMDMKYFHI-VIFPVBQESA-N 0 3 202.298 0.167 20 0 BCADHN OC[C@H]1CCN1CCOC1CCSCC1 ZINC000934012644 631590509 /nfs/dbraw/zinc/59/05/09/631590509.db2.gz CIJUKKPTFIJFSK-SNVBAGLBSA-N 0 3 231.361 0.965 20 0 BCADHN Cc1cnccc1CCN1CC[C@@H]1CO ZINC000934013973 631594372 /nfs/dbraw/zinc/59/43/72/631594372.db2.gz YLCDRPZXVZIEMY-GFCCVEGCSA-N 0 3 206.289 0.999 20 0 BCADHN CC(C)C[C@@H](O)CN[C@@H](C)c1cnnn1C ZINC000924862188 635646260 /nfs/dbraw/zinc/64/62/60/635646260.db2.gz PKLHBTPZRQPJFV-VHSXEESVSA-N 0 3 226.324 0.873 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)C(=O)OC1CCCC1 ZINC000236925812 635647618 /nfs/dbraw/zinc/64/76/18/635647618.db2.gz ZDXGEKPYFKSGQH-WPRPVWTQSA-N 0 3 242.319 0.714 20 0 BCADHN CC(C)(C)OC(=O)NCCCN1CC[C@H]1CO ZINC000934015439 631606396 /nfs/dbraw/zinc/60/63/96/631606396.db2.gz YCONCGZOOPUZKR-JTQLQIEISA-N 0 3 244.335 0.968 20 0 BCADHN COC(=O)C[C@H](NCC(N)=O)C(C)(C)C ZINC000934029860 631628334 /nfs/dbraw/zinc/62/83/34/631628334.db2.gz ODXCRUAGONMAIF-ZETCQYMHSA-N 0 3 216.281 0.039 20 0 BCADHN OC[C@@H]1CCN1C[C@@H](O)COCc1ccco1 ZINC000934032033 631630997 /nfs/dbraw/zinc/63/09/97/631630997.db2.gz SWQBKWJAPBVPDD-WDEREUQCSA-N 0 3 241.287 0.224 20 0 BCADHN CCCn1cc(NC(=O)C(C)(C)N)cn1 ZINC000236988829 635682203 /nfs/dbraw/zinc/68/22/03/635682203.db2.gz IYMFQLLZXKFVON-UHFFFAOYSA-N 0 3 210.281 0.969 20 0 BCADHN CCOC(CN(C[C@@H](C)O)[C@H](C)CO)OCC ZINC000248956629 635684655 /nfs/dbraw/zinc/68/46/55/635684655.db2.gz QHRXKIURROLLJU-GHMZBOCLSA-N 0 3 249.351 0.449 20 0 BCADHN COCCCCNC(=O)[C@@H](N)CC1CC1 ZINC000308800736 631667288 /nfs/dbraw/zinc/66/72/88/631667288.db2.gz DNZMJCAXJIIHDA-JTQLQIEISA-N 0 3 214.309 0.657 20 0 BCADHN O=C1CCN(CC2OCCO2)CCCCCN1 ZINC000934155448 631712580 /nfs/dbraw/zinc/71/25/80/631712580.db2.gz JISHHHXBRWAVQI-UHFFFAOYSA-N 0 3 242.319 0.352 20 0 BCADHN C[C@@H](NCCC(=O)NC(N)=O)c1cncs1 ZINC000934198581 631728103 /nfs/dbraw/zinc/72/81/03/631728103.db2.gz NSIWVKYRDRISTO-ZCFIWIBFSA-N 0 3 242.304 0.379 20 0 BCADHN O[C@@H](CNCc1cn[nH]c1)c1ccco1 ZINC000308955400 631754304 /nfs/dbraw/zinc/75/43/04/631754304.db2.gz XBKXPBPIHNVFER-VIFPVBQESA-N 0 3 207.233 0.826 20 0 BCADHN CC(C)[C@@H](CO)CNCc1cn(C)cn1 ZINC000308975228 631768804 /nfs/dbraw/zinc/76/88/04/631768804.db2.gz GLUNJXUECQCDTG-SNVBAGLBSA-N 0 3 211.309 0.774 20 0 BCADHN OC[C@@H](O)CN1CC[C@@H](Cc2nccs2)C1 ZINC000934331633 631788051 /nfs/dbraw/zinc/78/80/51/631788051.db2.gz MQDABVXWQXSAMD-UWVGGRQHSA-N 0 3 242.344 0.361 20 0 BCADHN CC(C)[C@](C)(CO)NCc1cn(C)cn1 ZINC000309009103 631802467 /nfs/dbraw/zinc/80/24/67/631802467.db2.gz RBPVLHZQHRKIOY-NSHDSACASA-N 0 3 211.309 0.917 20 0 BCADHN CC[C@](C)(O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000934396421 631821034 /nfs/dbraw/zinc/82/10/34/631821034.db2.gz OUXXOMUJBMJGFQ-BREBYQMCSA-N 0 3 240.347 0.889 20 0 BCADHN Cc1ccnc(N[C@H](CO)CN(C)C)n1 ZINC000309064457 631830978 /nfs/dbraw/zinc/83/09/78/631830978.db2.gz YMDFQMGTYKIYTR-VIFPVBQESA-N 0 3 210.281 0.119 20 0 BCADHN CCCS(=O)(=O)CCN[C@@H](CO)C1CC1 ZINC000309063723 631831156 /nfs/dbraw/zinc/83/11/56/631831156.db2.gz YEXGLWIMWNGQAJ-JTQLQIEISA-N 0 3 235.349 0.172 20 0 BCADHN COC[C@@H](O)CNCc1ccc(F)nc1 ZINC000309087395 631876024 /nfs/dbraw/zinc/87/60/24/631876024.db2.gz ZMQVTOYOEHYGKE-VIFPVBQESA-N 0 3 214.240 0.318 20 0 BCADHN CC(C)CCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924430036 631901819 /nfs/dbraw/zinc/90/18/19/631901819.db2.gz GLCPXCRKBXXQMP-VIFPVBQESA-N 0 3 227.308 0.515 20 0 BCADHN O[C@@H]1CCN(C[C@H]2CCOC2)C[C@@H]1F ZINC000934571898 631945243 /nfs/dbraw/zinc/94/52/43/631945243.db2.gz HKRZOHAEJBXUTI-KXUCPTDWSA-N 0 3 203.257 0.428 20 0 BCADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](N)CC(F)F ZINC000309211280 631968999 /nfs/dbraw/zinc/96/89/99/631968999.db2.gz SGUOGAKNQFAEEQ-WDSKDSINSA-N 0 3 238.234 0.037 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NC[C@H](O)C1CC1 ZINC000934656103 632008677 /nfs/dbraw/zinc/00/86/77/632008677.db2.gz XCSNJUIUAOVQJR-NEPJUHHUSA-N 0 3 240.347 0.746 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CCC1OCCCO1 ZINC000091465830 632019038 /nfs/dbraw/zinc/01/90/38/632019038.db2.gz IFWGGGVHGFWKSS-JTQLQIEISA-N 0 3 242.319 0.350 20 0 BCADHN CON(C)C(=O)CN1CCC(C)(C)C1 ZINC000091587678 632084435 /nfs/dbraw/zinc/08/44/35/632084435.db2.gz SYUCOABNCNJTEK-UHFFFAOYSA-N 0 3 200.282 0.738 20 0 BCADHN CCCNC(=O)CN[C@@H]1COC[C@@H]1CC ZINC000829421324 632111768 /nfs/dbraw/zinc/11/17/68/632111768.db2.gz TWEBNPPQOKQVMN-VHSXEESVSA-N 0 3 214.309 0.527 20 0 BCADHN CC[C@H]1CN(C(=O)CNCCOC)C[C@H](C)O1 ZINC000237039320 635718875 /nfs/dbraw/zinc/71/88/75/635718875.db2.gz TXVQZACIDZUBNP-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN COC(=O)/C(C)=C/CNC(=O)CN1CCCC1 ZINC000927977461 635781510 /nfs/dbraw/zinc/78/15/10/635781510.db2.gz KFQZKHWVGZLUSK-BJMVGYQFSA-N 0 3 240.303 0.318 20 0 BCADHN Nc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c([O-])c1 ZINC000841851832 635797916 /nfs/dbraw/zinc/79/79/16/635797916.db2.gz PQCQPXCAUWIJKK-SCZZXKLOSA-N 0 3 249.314 0.974 20 0 BCADHN Cc1cc(N2CCC(CC(N)=O)CC2)nc(N)n1 ZINC000052391458 632397915 /nfs/dbraw/zinc/39/79/15/632397915.db2.gz WLYXQILTBNFGJX-UHFFFAOYSA-N 0 3 249.318 0.459 20 0 BCADHN C[C@@H]1C[C@H]1CN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924477295 632402980 /nfs/dbraw/zinc/40/29/80/632402980.db2.gz GDTJIXATKWSURA-HRDYMLBCSA-N 0 3 225.292 0.124 20 0 BCADHN CN1CC[C@H](NCc2c(Cl)cnn2C)C1 ZINC000308914932 632424822 /nfs/dbraw/zinc/42/48/22/632424822.db2.gz FQKXLRDBNZBEIZ-QMMMGPOBSA-N 0 3 228.727 0.867 20 0 BCADHN CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC001023461370 632466590 /nfs/dbraw/zinc/46/65/90/632466590.db2.gz VCWMLCVGRZWCAJ-VIFPVBQESA-N 0 3 237.307 0.266 20 0 BCADHN CC[N@H+]1CCC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC001023461370 632466592 /nfs/dbraw/zinc/46/65/92/632466592.db2.gz VCWMLCVGRZWCAJ-VIFPVBQESA-N 0 3 237.307 0.266 20 0 BCADHN O=C(CN[C@H](CO)C1CC1)Nc1nccs1 ZINC000309520477 632468369 /nfs/dbraw/zinc/46/83/69/632468369.db2.gz BHHAFDACYRQOGK-MRVPVSSYSA-N 0 3 241.316 0.442 20 0 BCADHN COCC[C@@H](N)C(=O)NCCc1ccccc1 ZINC000052790950 632489295 /nfs/dbraw/zinc/48/92/95/632489295.db2.gz ALOIALXSRWSIBA-GFCCVEGCSA-N 0 3 236.315 0.709 20 0 BCADHN COCC[C@@H](N)C(=O)NCCCOCC1CC1 ZINC000052791422 632491225 /nfs/dbraw/zinc/49/12/25/632491225.db2.gz ZGWFMFIABCSNDA-LLVKDONJSA-N 0 3 244.335 0.283 20 0 BCADHN COCC[C@H](N)C(=O)N(C)C[C@H]1CCCCO1 ZINC000052810067 632498644 /nfs/dbraw/zinc/49/86/44/632498644.db2.gz HTZXWDCWSFXUNC-MNOVXSKESA-N 0 3 244.335 0.378 20 0 BCADHN COCC[C@@H](N)C(=O)N(CC(C)C)C1CC1 ZINC000052808538 632499067 /nfs/dbraw/zinc/49/90/67/632499067.db2.gz YVTMBARBTNYACQ-LLVKDONJSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@@H](CNCc1cn(C)cn1)C[C@H](C)O ZINC000309052310 632630649 /nfs/dbraw/zinc/63/06/49/632630649.db2.gz ROARAFMRTKWUCI-ZJUUUORDSA-N 0 3 211.309 0.917 20 0 BCADHN C[C@@](O)(CO)CNCc1ccc(Cl)nc1 ZINC000309052527 632631115 /nfs/dbraw/zinc/63/11/15/632631115.db2.gz RSJMVBMISGUEJY-JTQLQIEISA-N 0 3 230.695 0.568 20 0 BCADHN CON(C)C(=O)CN[C@]1(C)CCO[C@H]1C ZINC000309084460 632634949 /nfs/dbraw/zinc/63/49/49/632634949.db2.gz VKKNXFYIYWVEIT-WCBMZHEXSA-N 0 3 216.281 0.163 20 0 BCADHN CCC(=O)N[C@@H]1CN(CCOC)CC1(C)C ZINC000972705344 632638626 /nfs/dbraw/zinc/63/86/26/632638626.db2.gz VMJIHZODVFFMFM-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN COCCN1C[C@@H](NC(C)=O)C(C)(C)C1 ZINC000972714748 632644657 /nfs/dbraw/zinc/64/46/57/632644657.db2.gz PFWVPKKQVXUHTQ-SNVBAGLBSA-N 0 3 214.309 0.479 20 0 BCADHN CC(C)C(=O)N[C@@H]1CN(CCCO)CC1(C)C ZINC000972815747 632681706 /nfs/dbraw/zinc/68/17/06/632681706.db2.gz YKEBKHINEPDKLF-LLVKDONJSA-N 0 3 242.363 0.851 20 0 BCADHN COCCN(CCOC)C(=O)[C@H](N)CC1CC1 ZINC000310130979 632702329 /nfs/dbraw/zinc/70/23/29/632702329.db2.gz YVKOUUNFQCZTSF-LLVKDONJSA-N 0 3 244.335 0.235 20 0 BCADHN CCCOC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000310251562 632712169 /nfs/dbraw/zinc/71/21/69/632712169.db2.gz ODVZNFFFRNRBNY-MNOVXSKESA-N 0 3 242.319 0.986 20 0 BCADHN C[S@@](=O)CCCNc1ccncc1CO ZINC000892448787 632723235 /nfs/dbraw/zinc/72/32/35/632723235.db2.gz DIKOQEWPMZPOKW-OAHLLOKOSA-N 0 3 228.317 0.176 20 0 BCADHN C[C@H](O)CN1CCCC[C@H]1CNC(=O)C1CC1 ZINC001024301202 632729056 /nfs/dbraw/zinc/72/90/56/632729056.db2.gz VXQZPJRNDBKFFC-JQWIXIFHSA-N 0 3 240.347 0.748 20 0 BCADHN CCOC(=O)/C=C\CN[C@@](C)(C(N)=O)C(C)C ZINC000310473867 632746327 /nfs/dbraw/zinc/74/63/27/632746327.db2.gz AKZHYDLVLPJFFU-ZHRWSRJISA-N 0 3 242.319 0.595 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@@H](N)CC1CC1)C(C)C ZINC000310497317 632750826 /nfs/dbraw/zinc/75/08/26/632750826.db2.gz KWWGMUZXSPCXJQ-UWVGGRQHSA-N 0 3 242.319 0.428 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H](N)CC1CC1 ZINC000310517839 632751994 /nfs/dbraw/zinc/75/19/94/632751994.db2.gz SJBPGXJSTRXOED-SCZZXKLOSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](O)CC(C)C ZINC000161463157 632766156 /nfs/dbraw/zinc/76/61/56/632766156.db2.gz IUCFUEWTQZFTFR-IUCAKERBSA-N 0 3 202.298 0.247 20 0 BCADHN C[C@H](N[C@H]1CCNC1=O)C1(Br)CC1 ZINC000926671600 632801733 /nfs/dbraw/zinc/80/17/33/632801733.db2.gz JLLQOHXOIVNPST-BQBZGAKWSA-N 0 3 247.136 0.781 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCc1cccc(CO)c1 ZINC000310614718 632807486 /nfs/dbraw/zinc/80/74/86/632807486.db2.gz BGNOAFIDJSSFCQ-ZDUSSCGKSA-N 0 3 248.326 0.923 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H](O)c1ccccc1Cl ZINC000153559224 632819699 /nfs/dbraw/zinc/81/96/99/632819699.db2.gz QCTHHGIDHUWHFH-XCBNKYQSSA-N 0 3 242.706 0.837 20 0 BCADHN C=CCNC(=S)N[C@H]1CCN(C2CC2)C1 ZINC000066010859 632821154 /nfs/dbraw/zinc/82/11/54/632821154.db2.gz ZEWRVJKHTUZCFS-VIFPVBQESA-N 0 3 225.361 0.873 20 0 BCADHN COCCn1cc(CNC(C)(C)C)nn1 ZINC000052602341 632861505 /nfs/dbraw/zinc/86/15/05/632861505.db2.gz IANIZEKIZNCULF-UHFFFAOYSA-N 0 3 212.297 0.813 20 0 BCADHN C[C@@H](N)c1cn(C[C@@](C)(O)C(F)(F)F)nn1 ZINC000309282410 632884241 /nfs/dbraw/zinc/88/42/41/632884241.db2.gz 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CCC(F)(F)CN1C(=O)N[C@H](CN(C)C)C1=O ZINC000925016268 635850653 /nfs/dbraw/zinc/85/06/53/635850653.db2.gz OMMFMUCBSFXDNV-SSDOTTSWSA-N 0 3 249.261 0.514 20 0 BCADHN COC(=O)CC(C)(C)NCC(=O)NCC1CC1 ZINC000177922928 632906044 /nfs/dbraw/zinc/90/60/44/632906044.db2.gz CZTCBUXLFUOZRX-UHFFFAOYSA-N 0 3 242.319 0.444 20 0 BCADHN C[C@@H](NC[C@@](C)(O)C1CC1)c1cnnn1C ZINC000925041852 635866893 /nfs/dbraw/zinc/86/68/93/635866893.db2.gz ZOIQDGGLFDABID-LDYMZIIASA-N 0 3 224.308 0.627 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@@H]1CCN(C(C)=O)C1 ZINC000926737878 632927412 /nfs/dbraw/zinc/92/74/12/632927412.db2.gz PMVMCJPGFBHROS-MNOVXSKESA-N 0 3 242.319 0.348 20 0 BCADHN CC(C)C[C@H](O)CNC(=O)[C@@H](N)CC(F)F ZINC000309335527 632944047 /nfs/dbraw/zinc/94/40/47/632944047.db2.gz UFDSXCYXZSMSFQ-YUMQZZPRSA-N 0 3 238.278 0.492 20 0 BCADHN CCn1cc(NC(=O)[C@H](N)CC2CC2)ccc1=O ZINC000310766874 632982666 /nfs/dbraw/zinc/98/26/66/632982666.db2.gz RNCMXSXRHNOFEW-LLVKDONJSA-N 0 3 249.314 0.934 20 0 BCADHN C[C@H](NC[C@H]1COCCN1C)c1ccnnc1 ZINC000926761041 632999679 /nfs/dbraw/zinc/99/96/79/632999679.db2.gz QZTBQCIBQNQLHM-JQWIXIFHSA-N 0 3 236.319 0.458 20 0 BCADHN CSC[C@](C)(O)CNc1nc(C)cc(N)n1 ZINC000892632984 633030737 /nfs/dbraw/zinc/03/07/37/633030737.db2.gz XPAVXMDHSVBHSD-SNVBAGLBSA-N 0 3 242.348 0.893 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NCCOc1cccnc1 ZINC000925062706 635880558 /nfs/dbraw/zinc/88/05/58/635880558.db2.gz AASJROBQGJSYHQ-LLVKDONJSA-N 0 3 249.314 0.575 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N([C@H]2CC23CCC3)C1=O ZINC000925061141 635880775 /nfs/dbraw/zinc/88/07/75/635880775.db2.gz HKJKGMWWLPUTBB-IUCAKERBSA-N 0 3 237.303 0.411 20 0 BCADHN CC[NH+](CC)[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000162848924 633039156 /nfs/dbraw/zinc/03/91/56/633039156.db2.gz DEHPSDHISDGIQZ-JTQLQIEISA-N 0 3 236.319 0.690 20 0 BCADHN CC(C)N1C[C@@H](NCc2cnc[nH]2)CC1=O ZINC000164240586 633074816 /nfs/dbraw/zinc/07/48/16/633074816.db2.gz CHYKOUCIWIBIGI-VIFPVBQESA-N 0 3 222.292 0.509 20 0 BCADHN C[C@@H](CO[C@@H]1CCOC1)NCc1c[nH]cn1 ZINC000165617618 633094571 /nfs/dbraw/zinc/09/45/71/633094571.db2.gz HCPCIGUVAGJVKH-GXSJLCMTSA-N 0 3 225.292 0.693 20 0 BCADHN C[C@@H](CO[C@@H]1CCOC1)NCc1cnc[nH]1 ZINC000165617618 633094579 /nfs/dbraw/zinc/09/45/79/633094579.db2.gz HCPCIGUVAGJVKH-GXSJLCMTSA-N 0 3 225.292 0.693 20 0 BCADHN COCC[C@@H](N)C(=O)N1CC[C@@H](C(C)C)C1 ZINC000166135281 633107511 /nfs/dbraw/zinc/10/75/11/633107511.db2.gz YCQILLBDSZGRBT-GHMZBOCLSA-N 0 3 228.336 0.855 20 0 BCADHN CC[C@H](C)NC(=O)Cn1cc([C@H](C)N)nn1 ZINC000167131320 633126039 /nfs/dbraw/zinc/12/60/39/633126039.db2.gz JSUJJNWYDWUSFA-YUMQZZPRSA-N 0 3 225.296 0.213 20 0 BCADHN C=C/C=C\CCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000925076091 635910709 /nfs/dbraw/zinc/91/07/09/635910709.db2.gz TYWOQSBXBNJJOL-OMMCCPJFSA-N 0 3 237.303 0.601 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCN1C ZINC000928430217 635913108 /nfs/dbraw/zinc/91/31/08/635913108.db2.gz FTQRTJGXAYWEJU-KOLCDFICSA-N 0 3 236.319 0.171 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2ncc[nH]2)CCN1C ZINC000928431354 635916557 /nfs/dbraw/zinc/91/65/57/635916557.db2.gz DPCANHWJHAOYKE-YUMQZZPRSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2ncc[nH]2)CCN1C ZINC000928431353 635916640 /nfs/dbraw/zinc/91/66/40/635916640.db2.gz DPCANHWJHAOYKE-SFYZADRCSA-N 0 3 208.265 0.232 20 0 BCADHN Cc1[nH]c(=O)ccc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928431676 635917483 /nfs/dbraw/zinc/91/74/83/635917483.db2.gz ALGPZDZXJNSPDT-ONGXEEELSA-N 0 3 249.314 0.918 20 0 BCADHN CC[C@H](CO)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928433822 635927648 /nfs/dbraw/zinc/92/76/48/635927648.db2.gz VEGGJGDMBPTAGB-BBBLOLIVSA-N 0 3 214.309 0.214 20 0 BCADHN C[C@H]1[C@@H](NC(=O)C2=CCOCC2)CCN1C ZINC000928434476 635929326 /nfs/dbraw/zinc/92/93/26/635929326.db2.gz FAAOLYJDBBYPOO-ONGXEEELSA-N 0 3 224.304 0.542 20 0 BCADHN Cc1ccnc(C(=O)N[C@H]2CCN(C)[C@H]2C)n1 ZINC000928438997 635933476 /nfs/dbraw/zinc/93/34/76/635933476.db2.gz VSHKBFDWXUMTEY-UWVGGRQHSA-N 0 3 234.303 0.607 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@H](O)c2ccccc2)CCN1C ZINC000928439177 635933568 /nfs/dbraw/zinc/93/35/68/635933568.db2.gz HXZQMVWOMXUMFI-KGYLQXTDSA-N 0 3 248.326 0.929 20 0 BCADHN Cc1ccnc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)n1 ZINC000928438996 635934686 /nfs/dbraw/zinc/93/46/86/635934686.db2.gz VSHKBFDWXUMTEY-NXEZZACHSA-N 0 3 234.303 0.607 20 0 BCADHN Cc1ccnc(C(=O)N[C@@H]2CCN(C)[C@H]2C)n1 ZINC000928438998 635934957 /nfs/dbraw/zinc/93/49/57/635934957.db2.gz VSHKBFDWXUMTEY-VHSXEESVSA-N 0 3 234.303 0.607 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2cscn2)CCN1C ZINC000928440933 635938866 /nfs/dbraw/zinc/93/88/66/635938866.db2.gz RNWWZQBFUWMCER-JGVFFNPUSA-N 0 3 225.317 0.966 20 0 BCADHN CN(Cc1ncc[nH]1)C(=O)[C@H](N)CC1CC1 ZINC000304415893 635940167 /nfs/dbraw/zinc/94/01/67/635940167.db2.gz YVBALNYRLCXPHQ-SECBINFHSA-N 0 3 222.292 0.496 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2ccncn2)CCN1C ZINC000928440847 635941876 /nfs/dbraw/zinc/94/18/76/635941876.db2.gz LXKMVWSGCBGTTC-DTWKUNHWSA-N 0 3 220.276 0.299 20 0 BCADHN CCOCCOCC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928445611 635949503 /nfs/dbraw/zinc/94/95/03/635949503.db2.gz SDXLSNHTYYTQGO-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN Cc1nc([C@@H]2CCN(Cc3cncnc3)C2)n[nH]1 ZINC000895006686 636015574 /nfs/dbraw/zinc/01/55/74/636015574.db2.gz BKENLRCNZBFNHK-LLVKDONJSA-N 0 3 244.302 0.893 20 0 BCADHN Cc1n[nH]c([C@@H]2CCN(Cc3cncnc3)C2)n1 ZINC000895006686 636015580 /nfs/dbraw/zinc/01/55/80/636015580.db2.gz BKENLRCNZBFNHK-LLVKDONJSA-N 0 3 244.302 0.893 20 0 BCADHN Cc1nnc([C@@H]2CCN(Cc3cncnc3)C2)[nH]1 ZINC000895006686 636015585 /nfs/dbraw/zinc/01/55/85/636015585.db2.gz BKENLRCNZBFNHK-LLVKDONJSA-N 0 3 244.302 0.893 20 0 BCADHN C[S@@](=O)CCN1C[C@@H](O)C(C)(C)C1 ZINC000307064684 635980729 /nfs/dbraw/zinc/98/07/29/635980729.db2.gz QIZQMSFCGLEFSM-AMIZOPFISA-N 0 3 205.323 0.068 20 0 BCADHN C[C@@H]1CCN(CCS(N)(=O)=O)[C@@H]1C ZINC000307283750 635985607 /nfs/dbraw/zinc/98/56/07/635985607.db2.gz IOWFADDMPUIVNO-HTQZYQBOSA-N 0 3 206.311 0.005 20 0 BCADHN c1nc(C2CC2)ncc1CNC[C@@H]1COCO1 ZINC000894886188 635999178 /nfs/dbraw/zinc/99/91/78/635999178.db2.gz VBQYUPXYYAYDBT-LLVKDONJSA-N 0 3 235.287 0.817 20 0 BCADHN Cc1cc(N2C[C@@H](C(N)=O)CC[C@@H]2C)nc(N)n1 ZINC000108643446 636116231 /nfs/dbraw/zinc/11/62/31/636116231.db2.gz PGEMQQWUQQVTBN-IUCAKERBSA-N 0 3 249.318 0.457 20 0 BCADHN CN(CCO)CCNc1nccnc1Cl ZINC000895240942 636126587 /nfs/dbraw/zinc/12/65/87/636126587.db2.gz PKKTVTPKNYMTPX-UHFFFAOYSA-N 0 3 230.699 0.466 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CNCCN1C)c1ccccc1 ZINC000213716112 636132009 /nfs/dbraw/zinc/13/20/09/636132009.db2.gz MBMDBJLWQKFMPC-AAEUAGOBSA-N 0 3 247.342 0.767 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCCCCO ZINC000308493067 633733371 /nfs/dbraw/zinc/73/33/71/633733371.db2.gz RTUPEGUIYLGRKB-SECBINFHSA-N 0 3 200.282 0.003 20 0 BCADHN Cn1ccc(C(=O)N2CC[C@H](NCCF)C2)n1 ZINC001019773799 633790235 /nfs/dbraw/zinc/79/02/35/633790235.db2.gz NIPFXTBHZOJGMG-VIFPVBQESA-N 0 3 240.282 0.194 20 0 BCADHN CCC(=O)N[C@H]1C[C@H](NCc2nccnc2C)C1 ZINC001019909339 633796371 /nfs/dbraw/zinc/79/63/71/633796371.db2.gz HMFDWSGGQPDENH-XYPYZODXSA-N 0 3 248.330 0.932 20 0 BCADHN C[C@@H]1[C@H](N[C@@H]2C[C@H](C)n3ncnc32)CCN1C ZINC000926892778 633816745 /nfs/dbraw/zinc/81/67/45/633816745.db2.gz LNHXDLIEOHFRGA-LNFKQOIKSA-N 0 3 235.335 0.966 20 0 BCADHN Cc1cc(N2C[C@H](O)[C@@H](C)C2)nc(N)n1 ZINC000308829836 633821844 /nfs/dbraw/zinc/82/18/44/633821844.db2.gz JAVOZBWYFMTMDG-XPUUQOCRSA-N 0 3 208.265 0.184 20 0 BCADHN CN(C(=O)[C@H](N)CC1CC1)[C@@H]1CCOC1 ZINC000308866643 633825539 /nfs/dbraw/zinc/82/55/39/633825539.db2.gz QZBUXUQIFZLDDK-NXEZZACHSA-N 0 3 212.293 0.361 20 0 BCADHN CC(C)(CS(C)(=O)=O)NCc1cnc[nH]1 ZINC000309076456 633846233 /nfs/dbraw/zinc/84/62/33/633846233.db2.gz KZONAABATVGVMJ-UHFFFAOYSA-N 0 3 231.321 0.323 20 0 BCADHN C[C@@H](O)[C@@H](O)CN1CCC=C(c2cccnc2)C1 ZINC000930486481 633848480 /nfs/dbraw/zinc/84/84/80/633848480.db2.gz MQKDDAXOHQCNKI-RISCZKNCSA-N 0 3 248.326 0.912 20 0 BCADHN Cc1cc(N2C[C@@H]3COC[C@@H]3C2)nc(N)n1 ZINC000309304089 633894003 /nfs/dbraw/zinc/89/40/03/633894003.db2.gz UYLAFUDZMALWAZ-DTORHVGOSA-N 0 3 220.276 0.450 20 0 BCADHN O[C@]1(C(F)F)CCN(C[C@H]2COCCO2)C1 ZINC000930622417 633944958 /nfs/dbraw/zinc/94/49/58/633944958.db2.gz FJZQRJNVJMUOBL-WCBMZHEXSA-N 0 3 237.246 0.104 20 0 BCADHN C[C@H](NCCN1CCNC1=O)c1ccncc1 ZINC000035693411 633973008 /nfs/dbraw/zinc/97/30/08/633973008.db2.gz JEBFMQBLYOBIMW-JTQLQIEISA-N 0 3 234.303 0.757 20 0 BCADHN COC/C(C)=C\CN1C[C@@H](O)[C@H](OC)C1 ZINC000930653094 633989877 /nfs/dbraw/zinc/98/98/77/633989877.db2.gz QMHAFYCBBZWCJR-MTUFZTHRSA-N 0 3 215.293 0.271 20 0 BCADHN C[C@@H](O)C1(N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000895442370 636145877 /nfs/dbraw/zinc/14/58/77/636145877.db2.gz NSJXGJCCXWZUGB-RKDXNWHRSA-N 0 3 233.333 0.067 20 0 BCADHN CC(=O)OC[C@H](C)NC[C@@H](O)c1ccco1 ZINC000309793916 634010996 /nfs/dbraw/zinc/01/09/96/634010996.db2.gz UXPAXEPSHRMMJJ-WCBMZHEXSA-N 0 3 227.260 0.854 20 0 BCADHN O=C(/C=C\c1ccco1)NC[C@@H]1CNCCO1 ZINC000309979266 634016260 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/nfs/dbraw/zinc/21/13/28/634211328.db2.gz ZDGDEPJLYJWYQF-AWEZNQCLSA-N 0 3 249.358 0.623 20 0 BCADHN O=C1O[C@H](CN2CCC[C@@H](O)C2)CC12CCC2 ZINC000191909514 634224030 /nfs/dbraw/zinc/22/40/30/634224030.db2.gz ZBTGHMLEIQNJOP-MNOVXSKESA-N 0 3 239.315 0.929 20 0 BCADHN COCCN1CCC(NC(=O)N(C)OC)CC1 ZINC000192373980 634232722 /nfs/dbraw/zinc/23/27/22/634232722.db2.gz NMZRWGYVIJPRIC-UHFFFAOYSA-N 0 3 245.323 0.300 20 0 BCADHN OC[C@@H](O)CN[C@@H](c1ccccn1)C1CCC1 ZINC000931172499 634247758 /nfs/dbraw/zinc/24/77/58/634247758.db2.gz KJBYJSVFIQSESH-WCQYABFASA-N 0 3 236.315 0.866 20 0 BCADHN CC(=O)N1CC[C@@H](CNCc2ocnc2C)C1 ZINC001026630327 634267418 /nfs/dbraw/zinc/26/74/18/634267418.db2.gz KHTGDTSPLBBIBO-NSHDSACASA-N 0 3 237.303 0.941 20 0 BCADHN CC(=O)N1CC[C@H](CNCc2ocnc2C)C1 ZINC001026630326 634268509 /nfs/dbraw/zinc/26/85/09/634268509.db2.gz KHTGDTSPLBBIBO-LLVKDONJSA-N 0 3 237.303 0.941 20 0 BCADHN CC(=O)NC[C@H]1CCCN1CCn1cccn1 ZINC001027711662 635123837 /nfs/dbraw/zinc/12/38/37/635123837.db2.gz RKFBMGZJEKADFT-GFCCVEGCSA-N 0 3 236.319 0.484 20 0 BCADHN O=C(NC[C@H]1CCCN1CCO)c1cccnc1 ZINC001027726697 635127543 /nfs/dbraw/zinc/12/75/43/635127543.db2.gz ZFDKWNMATWUGFU-GFCCVEGCSA-N 0 3 249.314 0.268 20 0 BCADHN CC(C)CN1CCN(c2cc(=O)[nH]cn2)CC1 ZINC000162839764 635141728 /nfs/dbraw/zinc/14/17/28/635141728.db2.gz LZPWOFAFQXQBRK-UHFFFAOYSA-N 0 3 236.319 0.548 20 0 BCADHN O=c1cc(N2CC[C@H]([NH+]3CCCCC3)C2)nc[n-]1 ZINC000162852105 635143039 /nfs/dbraw/zinc/14/30/39/635143039.db2.gz SEQUGCQGIAZHTA-NSHDSACASA-N 0 3 248.330 0.835 20 0 BCADHN O=C(NC[C@H]1CCCN1CCO)C1CC=CC1 ZINC001027802235 635157135 /nfs/dbraw/zinc/15/71/35/635157135.db2.gz JDCFFMCJFHFWHX-GFCCVEGCSA-N 0 3 238.331 0.526 20 0 BCADHN OC[C@@H]1C=CCN1C[C@H]1CCC2(COC2)O1 ZINC000931704726 635265212 /nfs/dbraw/zinc/26/52/12/635265212.db2.gz QNKPOKJBGGLUTD-WDEREUQCSA-N 0 3 225.288 0.167 20 0 BCADHN CC[C@@H](C)C(=O)N1CCCN(C[C@@H](C)O)CC1 ZINC000980727716 635265515 /nfs/dbraw/zinc/26/55/15/635265515.db2.gz RMTSLTDOIXPVEG-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN C/C=C(\C)C(=O)N1CCCN(CCCO)CC1 ZINC000980939583 635303077 /nfs/dbraw/zinc/30/30/77/635303077.db2.gz VBVBTZPZSGMPFL-KGVSQERTSA-N 0 3 240.347 0.869 20 0 BCADHN Cc1ncccc1CN1C[C@H](O)[C@@H](CO)C1 ZINC000317734830 635352448 /nfs/dbraw/zinc/35/24/48/635352448.db2.gz WJNBVHLTVMJPDF-NEPJUHHUSA-N 0 3 222.288 0.175 20 0 BCADHN CCCCN(C)CC(=O)N1CCO[C@@H](C)C1 ZINC000054114991 635394683 /nfs/dbraw/zinc/39/46/83/635394683.db2.gz JNKQAZLRFJQARF-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN O=C(NC[C@H]1CCCN1CCO)[C@H]1CC12CC2 ZINC001028163854 635440355 /nfs/dbraw/zinc/44/03/55/635440355.db2.gz DAAOFCCGWMGXQW-GHMZBOCLSA-N 0 3 238.331 0.359 20 0 BCADHN CC(C)N1CCC[C@@H]1CNC(=O)c1cnon1 ZINC001028217222 635495597 /nfs/dbraw/zinc/49/55/97/635495597.db2.gz PWKBATVMJYHDCL-SECBINFHSA-N 0 3 238.291 0.672 20 0 BCADHN COC(=O)/C(C)=C/CNC(=O)CN(C)C(C)C ZINC000927981503 635789294 /nfs/dbraw/zinc/78/92/94/635789294.db2.gz SIULLFBTTYGIJV-UXBLZVDNSA-N 0 3 242.319 0.562 20 0 BCADHN CC[C@H](C)CCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924976310 635820601 /nfs/dbraw/zinc/82/06/01/635820601.db2.gz KLSYMYLUYAYHBL-VHSXEESVSA-N 0 3 241.335 0.905 20 0 BCADHN CC/C(C)=C/C(=O)NC[C@@H]1C[C@H](O)CN1C ZINC000924976979 635820775 /nfs/dbraw/zinc/82/07/75/635820775.db2.gz AVIAGEKCNAIECU-VREQRIBMSA-N 0 3 226.320 0.524 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cn(C3CC3)nn2)CCN1C ZINC000928430863 635914496 /nfs/dbraw/zinc/91/44/96/635914496.db2.gz ZUMWLSBLMMJXSB-PSASIEDQSA-N 0 3 249.318 0.435 20 0 BCADHN C[C@@H]1[C@H](NC(=O)C2=CCOCC2)CCN1C ZINC000928434475 635928983 /nfs/dbraw/zinc/92/89/83/635928983.db2.gz FAAOLYJDBBYPOO-MWLCHTKSSA-N 0 3 224.304 0.542 20 0 BCADHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1C)n1cccn1 ZINC000928442317 635945383 /nfs/dbraw/zinc/94/53/83/635945383.db2.gz BBJBRCYJBSEKKL-GMTAPVOTSA-N 0 3 236.319 0.653 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)ncn1 ZINC000928442849 635946669 /nfs/dbraw/zinc/94/66/69/635946669.db2.gz RUQRMVACCPAPCC-NXEZZACHSA-N 0 3 234.303 0.607 20 0 BCADHN COC[C@H](C)CN1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000895118583 636066390 /nfs/dbraw/zinc/06/63/90/636066390.db2.gz LBMYPEAFZRXOHF-LMLFDSFASA-N 0 3 228.336 0.866 20 0 BCADHN CO[C@H](C)C(=O)N1CCC(N(C)CCF)CC1 ZINC000985311190 636278410 /nfs/dbraw/zinc/27/84/10/636278410.db2.gz ZUQNFYIOKZDJIG-SNVBAGLBSA-N 0 3 246.326 0.914 20 0 BCADHN Cc1nc(C(=O)N(C)CCN(C)C)no1 ZINC000346832935 636305418 /nfs/dbraw/zinc/30/54/18/636305418.db2.gz RECCQXZLUORTJF-UHFFFAOYSA-N 0 3 212.253 0.012 20 0 BCADHN CO[N-]C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000237297459 636309795 /nfs/dbraw/zinc/30/97/95/636309795.db2.gz XDPIXRNWLWWZFM-MRVPVSSYSA-N 0 3 200.282 0.690 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](CCO)C1CC1 ZINC000305122216 636324889 /nfs/dbraw/zinc/32/48/89/636324889.db2.gz NDFGVFCEZUOCIN-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CCN(CCCc1cnn(C)c1)CC(=O)NC ZINC000054337698 636421620 /nfs/dbraw/zinc/42/16/20/636421620.db2.gz YGPINWIYTXEUSV-UHFFFAOYSA-N 0 3 238.335 0.421 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2cncn2C)[C@H]1C ZINC000985834304 636426868 /nfs/dbraw/zinc/42/68/68/636426868.db2.gz UNQOMJVAXPPCHR-BXKDBHETSA-N 0 3 236.319 0.519 20 0 BCADHN CC(=O)N1CC[C@H](NCc2ccnn2C)[C@H]1C ZINC000985833654 636426874 /nfs/dbraw/zinc/42/68/74/636426874.db2.gz RXVTUSBLJRBWTC-SKDRFNHKSA-N 0 3 236.319 0.519 20 0 BCADHN CC(=O)N1CC[C@H](NCc2cnc(C)nc2)[C@H]1C ZINC000985852756 636433849 /nfs/dbraw/zinc/43/38/49/636433849.db2.gz CNVIKFDZUUBYAU-RNCFNFMXSA-N 0 3 248.330 0.884 20 0 BCADHN CC(=O)N1CC[C@H](NCc2cnc(C)nc2)[C@@H]1C ZINC000985852774 636434249 /nfs/dbraw/zinc/43/42/49/636434249.db2.gz CNVIKFDZUUBYAU-ZANVPECISA-N 0 3 248.330 0.884 20 0 BCADHN COCC(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC000985867476 636437206 /nfs/dbraw/zinc/43/72/06/636437206.db2.gz GOTMNMKJBKDTBG-IUCAKERBSA-N 0 3 218.272 0.181 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1COC[C@H]1C)N(C)C ZINC000928887706 636450251 /nfs/dbraw/zinc/45/02/51/636450251.db2.gz YEPCLHXQJHDDRY-BBBLOLIVSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@H]1[C@@H](NCCF)CCN1C(=O)c1cc[nH]n1 ZINC000986001883 636465064 /nfs/dbraw/zinc/46/50/64/636465064.db2.gz DDYFAARCJIWLDX-IUCAKERBSA-N 0 3 240.282 0.572 20 0 BCADHN C[C@@H]1[C@@H](NCCF)CCN1C(=O)c1ccon1 ZINC000986023281 636469689 /nfs/dbraw/zinc/46/96/89/636469689.db2.gz QKWLPWDSDLVOKV-BDAKNGLRSA-N 0 3 241.266 0.837 20 0 BCADHN C[C@@H]1COC[C@H]1NCc1ccc(C(N)=O)nc1 ZINC000925241245 636488228 /nfs/dbraw/zinc/48/82/28/636488228.db2.gz OCPVRRVROUQVPJ-LDYMZIIASA-N 0 3 235.287 0.305 20 0 BCADHN C/C=C(/C)C(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC000986131964 636525406 /nfs/dbraw/zinc/52/54/06/636525406.db2.gz GMDOMFLGLPFNBU-LTAOASPFSA-N 0 3 239.319 0.017 20 0 BCADHN C[C@H]1CN(CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC000752075529 636546601 /nfs/dbraw/zinc/54/66/01/636546601.db2.gz LELVMNUJLFKKTK-TUAOUCFPSA-N 0 3 240.347 0.822 20 0 BCADHN C[C@@H]1[C@H](NCCF)CCN1C(=O)CC(C)(C)O ZINC000986227871 636548278 /nfs/dbraw/zinc/54/82/78/636548278.db2.gz ADPYCEQZONLWMC-NXEZZACHSA-N 0 3 246.326 0.696 20 0 BCADHN C[C@H](NC[C@@H](O)CC(C)(C)O)c1ccnn1C ZINC000872239311 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ZINC000905625554 637861455 /nfs/dbraw/zinc/86/14/55/637861455.db2.gz NRNVMXXCMUOUTI-LBPRGKRZSA-N 0 3 248.286 0.134 20 0 BCADHN CCOCCOCCNC[C@H](O)C(F)(F)F ZINC000905610346 637867398 /nfs/dbraw/zinc/86/73/98/637867398.db2.gz RWGLPLHITGPIKR-QMMMGPOBSA-N 0 3 245.241 0.552 20 0 BCADHN CSCCNC(=S)N[C@H]1CCN(C)[C@H]1C ZINC000905649057 637869675 /nfs/dbraw/zinc/86/96/75/637869675.db2.gz LUQNGIDJRVLQAQ-IUCAKERBSA-N 0 3 247.433 0.906 20 0 BCADHN CCCCOC[C@@H](O)CNCc1n[nH]c(C)n1 ZINC000905667626 637876878 /nfs/dbraw/zinc/87/68/78/637876878.db2.gz IGTKKJVQGAVESJ-JTQLQIEISA-N 0 3 242.323 0.380 20 0 BCADHN CC(C)[C@H](N)c1cn(Cc2ccc(N)nc2)nn1 ZINC000905815505 637942404 /nfs/dbraw/zinc/94/24/04/637942404.db2.gz JDRVPMAZWQQRBT-LBPRGKRZSA-N 0 3 246.318 0.959 20 0 BCADHN O[C@H](CNCc1ccncc1)C1(O)CCCC1 ZINC000905870802 637957487 /nfs/dbraw/zinc/95/74/87/637957487.db2.gz SYTLZLOYWUYMAB-GFCCVEGCSA-N 0 3 236.315 0.837 20 0 BCADHN COCC1CN(C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000905973247 637988463 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ZINC000227059123 640813978 /nfs/dbraw/zinc/81/39/78/640813978.db2.gz KRMPJFYIYUBMEL-WDEREUQCSA-N 0 3 241.335 0.511 20 0 BCADHN CO[C@@H](CN)c1nc(-c2ccc(F)cn2)no1 ZINC000227300028 640823819 /nfs/dbraw/zinc/82/38/19/640823819.db2.gz LIFWUWBYFIZPIF-QMMMGPOBSA-N 0 3 238.222 0.917 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)[C@@H](C)C1CC1 ZINC000227350076 640828395 /nfs/dbraw/zinc/82/83/95/640828395.db2.gz RVKJCQAYOWRZEK-CBAPKCEASA-N 0 3 200.282 0.217 20 0 BCADHN CO[C@@H](CN)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000227345584 640828633 /nfs/dbraw/zinc/82/86/33/640828633.db2.gz FLJSFVZAYHZQSF-GUBZILKMSA-N 0 3 214.309 0.750 20 0 BCADHN CO[C@@H](CN)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000227386763 640830705 /nfs/dbraw/zinc/83/07/05/640830705.db2.gz AXBIEAAWKVVRFG-KKZNHRDASA-N 0 3 228.336 0.901 20 0 BCADHN CO[C@@H](CN)C(=O)NCC1(CO)CCCCC1 ZINC000227400787 640831194 /nfs/dbraw/zinc/83/11/94/640831194.db2.gz QNQGRWZYINKHEO-JTQLQIEISA-N 0 3 244.335 0.019 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC[C@H](C)CC1 ZINC000227383842 640831218 /nfs/dbraw/zinc/83/12/18/640831218.db2.gz PTICTJBPSBUMIE-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN CO[C@@H](CN)C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000227388278 640831342 /nfs/dbraw/zinc/83/13/42/640831342.db2.gz JMUBZBBXRDUSLR-GUBZILKMSA-N 0 3 214.309 0.607 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000227408407 640832857 /nfs/dbraw/zinc/83/28/57/640832857.db2.gz XOGUEVLZBSKICA-YIZRAAEISA-N 0 3 232.349 0.313 20 0 BCADHN CNC(=O)C(C)(C)CNCc1c[nH]cn1 ZINC000227604968 640842217 /nfs/dbraw/zinc/84/22/17/640842217.db2.gz GSASDJMRKFHJJC-UHFFFAOYSA-N 0 3 210.281 0.272 20 0 BCADHN COCC[C@@H](N)C(=O)NCCC1CCC1 ZINC000229106760 640923216 /nfs/dbraw/zinc/92/32/16/640923216.db2.gz HMTBGOFLTXNAOS-SNVBAGLBSA-N 0 3 214.309 0.657 20 0 BCADHN Cc1cc(CNCCC[S@](C)=O)n(C)n1 ZINC000229241079 640938463 /nfs/dbraw/zinc/93/84/63/640938463.db2.gz IGMUWNNVKQARQJ-HNNXBMFYSA-N 0 3 229.349 0.587 20 0 BCADHN CCS(=O)(=O)CCNCCN(C)C1CC1 ZINC000061996844 641015419 /nfs/dbraw/zinc/01/54/19/641015419.db2.gz ZTVKIZHFBBRTNB-UHFFFAOYSA-N 0 3 234.365 0.105 20 0 BCADHN COCC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000230245717 641041341 /nfs/dbraw/zinc/04/13/41/641041341.db2.gz VRNVSWUDQNJSLB-VWYCJHECSA-N 0 3 244.335 0.234 20 0 BCADHN CC(=O)NC[C@@H]1CN(C[Si](C)(C)C)CCO1 ZINC000172182377 641045811 /nfs/dbraw/zinc/04/58/11/641045811.db2.gz OCKRAKSZGZDNJH-LLVKDONJSA-N 0 3 244.411 0.701 20 0 BCADHN CO[C@@H]1CC[C@@H]1N(C)C[C@@](C)(O)C(C)=O ZINC000934111756 641074725 /nfs/dbraw/zinc/07/47/25/641074725.db2.gz OOGOXCOEXOAFRW-HBNTYKKESA-N 0 3 215.293 0.436 20 0 BCADHN CO[C@@H]1CC[C@@H]1N(C)CCN1C(=O)CCC1=O ZINC000934116721 641084363 /nfs/dbraw/zinc/08/43/63/641084363.db2.gz NZLCIMHZUNASKO-VHSXEESVSA-N 0 3 240.303 0.245 20 0 BCADHN CON(C)C(=O)CN[C@@H](C)Cc1cccnc1 ZINC000934232356 641110403 /nfs/dbraw/zinc/11/04/03/641110403.db2.gz DLZKTCZZBKVCAT-JTQLQIEISA-N 0 3 237.303 0.622 20 0 BCADHN CC(=O)CN1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934272146 641115741 /nfs/dbraw/zinc/11/57/41/641115741.db2.gz IFFSXKGUJSMPOI-VXGBXAGGSA-N 0 3 226.320 0.106 20 0 BCADHN CCNC(=O)CN1CCCSC[C@@H]1C ZINC000934305224 641121998 /nfs/dbraw/zinc/12/19/98/641121998.db2.gz HPQXPTFZKGMOSG-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN COCC[C@H](N)C(=O)N1CCCC1(C)C ZINC000063071877 641124589 /nfs/dbraw/zinc/12/45/89/641124589.db2.gz MJXSLBXXHORJON-VIFPVBQESA-N 0 3 214.309 0.751 20 0 BCADHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cnc(N)cn1 ZINC000231296690 641156113 /nfs/dbraw/zinc/15/61/13/641156113.db2.gz XGYPJWZZINRNOO-DTWKUNHWSA-N 0 3 249.318 0.145 20 0 BCADHN CN(Cc1cnc(N)cn1)C[C@H]1CCCOC1 ZINC000231300076 641156780 /nfs/dbraw/zinc/15/67/80/641156780.db2.gz YFKLAANACGYWAO-SNVBAGLBSA-N 0 3 236.319 0.917 20 0 BCADHN CC(C)CN1CCN(Cc2cnc(N)cn2)CC1 ZINC000231299029 641157329 /nfs/dbraw/zinc/15/73/29/641157329.db2.gz MZBHGLLXOBIXMF-UHFFFAOYSA-N 0 3 249.362 0.832 20 0 BCADHN C[C@@H]1CCN(Cc2cnc(N)cn2)[C@@H]1CO ZINC000231303321 641159197 /nfs/dbraw/zinc/15/91/97/641159197.db2.gz WCDHIVMUVXDOEW-PSASIEDQSA-N 0 3 222.292 0.262 20 0 BCADHN Cc1cc(NC2CCOCC2)nc(N)n1 ZINC000088300670 641178531 /nfs/dbraw/zinc/17/85/31/641178531.db2.gz JRGKKMTVFFXBOY-UHFFFAOYSA-N 0 3 208.265 0.958 20 0 BCADHN CC(=O)N[C@H]1C[C@@H](NCc2cncc(F)c2)C1 ZINC001021748497 641188559 /nfs/dbraw/zinc/18/85/59/641188559.db2.gz ROISLCICZRASNX-TXEJJXNPSA-N 0 3 237.278 0.977 20 0 BCADHN C[C@@H](O)CNCCS(=O)(=O)C(C)(C)C ZINC000231657019 641188997 /nfs/dbraw/zinc/18/89/97/641188997.db2.gz LGGGXGVGCBLASF-MRVPVSSYSA-N 0 3 223.338 0.170 20 0 BCADHN CO[N-]C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000087973526 641197023 /nfs/dbraw/zinc/19/70/23/641197023.db2.gz KOCPGQRAVFXFOR-DTWKUNHWSA-N 0 3 200.282 0.690 20 0 BCADHN C[C@@H](N)c1cn(C[C@H]2CC[C@@H](C)O2)nn1 ZINC000232033565 641235729 /nfs/dbraw/zinc/23/57/29/641235729.db2.gz XVHXDCDECJSCPK-IWSPIJDZSA-N 0 3 210.281 0.865 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N[C@H](C)CCO ZINC000934821000 641282235 /nfs/dbraw/zinc/28/22/35/641282235.db2.gz WHJLDQRLTMTOEC-MNOVXSKESA-N 0 3 228.336 0.746 20 0 BCADHN CN(CC(C)(C)O)c1ccncc1CO ZINC000088110342 641316343 /nfs/dbraw/zinc/31/63/43/641316343.db2.gz GRGFBOMTXFPSSA-UHFFFAOYSA-N 0 3 210.277 0.781 20 0 BCADHN CCn1cc(C(=O)NCCN2CCCC2)nn1 ZINC000929457562 641322065 /nfs/dbraw/zinc/32/20/65/641322065.db2.gz IYWABNSPMDCAAC-UHFFFAOYSA-N 0 3 237.307 0.124 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CO ZINC000935066193 641329902 /nfs/dbraw/zinc/32/99/02/641329902.db2.gz HISJJNPBYUKGBG-WDEREUQCSA-N 0 3 228.336 0.698 20 0 BCADHN CC(C)(C)CCNS(=O)(=O)N1CCNCC1 ZINC000130089332 641347266 /nfs/dbraw/zinc/34/72/66/641347266.db2.gz RSAWDSDWGPOWCV-UHFFFAOYSA-N 0 3 249.380 0.162 20 0 BCADHN CCC(=O)CNC(=O)COC1CCN(C)CC1 ZINC000935149879 641350516 /nfs/dbraw/zinc/35/05/16/641350516.db2.gz KZCVXEHKZUBGMY-UHFFFAOYSA-N 0 3 242.319 0.193 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000935191447 641359664 /nfs/dbraw/zinc/35/96/64/641359664.db2.gz XWTSHGFTSWZUSV-GRYCIOLGSA-N 0 3 240.347 0.698 20 0 BCADHN CN(CC[S@@](=O)C(F)(F)F)CC(C)(C)O ZINC000929654742 641388603 /nfs/dbraw/zinc/38/86/03/641388603.db2.gz PJLJOIBHCFTRBO-OAHLLOKOSA-N 0 3 247.282 0.958 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000935311878 641384077 /nfs/dbraw/zinc/38/40/77/641384077.db2.gz FFXPHMLRZMXLJZ-MVWJERBFSA-N 0 3 238.331 0.788 20 0 BCADHN COC[C@@H]1CCN([C@H]2CCN(OC)C2=O)C1 ZINC000929695271 641400791 /nfs/dbraw/zinc/40/07/91/641400791.db2.gz YDYKGJPPPPHKOV-ZJUUUORDSA-N 0 3 228.292 0.117 20 0 BCADHN CCN(CCO)CCNC(=O)CCC1(C)CC1 ZINC000935429787 641406236 /nfs/dbraw/zinc/40/62/36/641406236.db2.gz FQUHIUAGNHZKIY-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN C[C@@H](O)CN(Cc1ccccc1)C[C@@H](O)CO ZINC000929704633 641408341 /nfs/dbraw/zinc/40/83/41/641408341.db2.gz YOJPKXSCHMOGED-DGCLKSJQSA-N 0 3 239.315 0.223 20 0 BCADHN C[C@H](O)CN(Cc1ccccc1)C[C@H](O)CO ZINC000929704632 641409157 /nfs/dbraw/zinc/40/91/57/641409157.db2.gz YOJPKXSCHMOGED-AAEUAGOBSA-N 0 3 239.315 0.223 20 0 BCADHN CN1CCC[C@@H]1C(=O)NC12CCN(CC1)C2 ZINC000913630035 641433619 /nfs/dbraw/zinc/43/36/19/641433619.db2.gz WLWRFPVBOQIYQE-SNVBAGLBSA-N 0 3 223.320 0.045 20 0 BCADHN CC[C@H](C(=O)NC12CCN(CC1)C2)N(C)C ZINC000913630926 641434040 /nfs/dbraw/zinc/43/40/40/641434040.db2.gz GKXNGSPCCPTRQH-SNVBAGLBSA-N 0 3 225.336 0.291 20 0 BCADHN Cc1cc(CC(=O)NC23CCN(CC2)C3)n[nH]1 ZINC000913630729 641434153 /nfs/dbraw/zinc/43/41/53/641434153.db2.gz BLRKMFIRYBEYAM-UHFFFAOYSA-N 0 3 234.303 0.225 20 0 BCADHN Cc1cc(CC(=O)NC23CCN(CC2)C3)[nH]n1 ZINC000913630729 641434157 /nfs/dbraw/zinc/43/41/57/641434157.db2.gz BLRKMFIRYBEYAM-UHFFFAOYSA-N 0 3 234.303 0.225 20 0 BCADHN C[C@H](CC(=O)NC12CCN(CC1)C2)n1ccnc1 ZINC000913635458 641438054 /nfs/dbraw/zinc/43/80/54/641438054.db2.gz FZHWCRSFQBGBPF-LLVKDONJSA-N 0 3 248.330 0.799 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@H](CO)C[C@H]1C)N(C)C ZINC000913783910 641474594 /nfs/dbraw/zinc/47/45/94/641474594.db2.gz WBDXYIZUOYGARH-WOPDTQHZSA-N 0 3 242.363 0.946 20 0 BCADHN 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ZINC000926713475 645374432 /nfs/dbraw/zinc/37/44/32/645374432.db2.gz KLCZRSQBAQPOLY-GDPRMGEGSA-N 0 3 236.319 0.769 20 0 BCADHN C[C@H](N[C@H]1C[C@@H](O)C12CCC2)c1cnnn1C ZINC000926713478 645374494 /nfs/dbraw/zinc/37/44/94/645374494.db2.gz KLCZRSQBAQPOLY-INTQDDNPSA-N 0 3 236.319 0.769 20 0 BCADHN CCn1nncc1CN[C@@H]1CO[C@H](C)[C@@H]1C ZINC000926742342 645397117 /nfs/dbraw/zinc/39/71/17/645397117.db2.gz XEVVGMAGUSGVRR-IQJOONFLSA-N 0 3 224.308 0.811 20 0 BCADHN Cc1cc(CN[C@@H](CO)CCF)n(C)n1 ZINC000846096620 645403179 /nfs/dbraw/zinc/40/31/79/645403179.db2.gz JEJSHZCXVJRXPT-SECBINFHSA-N 0 3 215.272 0.539 20 0 BCADHN CON1CCN(C[C@H](O)C(C)(C)C)CC1 ZINC000846970149 645409174 /nfs/dbraw/zinc/40/91/74/645409174.db2.gz BGBQWFIHMYQALY-JTQLQIEISA-N 0 3 216.325 0.572 20 0 BCADHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1ccns1 ZINC000926768594 645413474 /nfs/dbraw/zinc/41/34/74/645413474.db2.gz OLXYWFHTWPOBKG-CIUDSAMLSA-N 0 3 228.317 0.944 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NCCc1cncs1 ZINC000926768752 645413723 /nfs/dbraw/zinc/41/37/23/645413723.db2.gz PFELBBBTOBEAQL-SECBINFHSA-N 0 3 239.344 0.800 20 0 BCADHN C[C@H](NCCN1CC[C@@H](O)C1)c1ccns1 ZINC000926767310 645413919 /nfs/dbraw/zinc/41/39/19/645413919.db2.gz NDSDCGDBAFESAF-VHSXEESVSA-N 0 3 241.360 0.860 20 0 BCADHN CO[C@H]1C[C@@H](CN[C@H](C)c2cnn(C)n2)C1 ZINC000926776434 645421580 /nfs/dbraw/zinc/42/15/80/645421580.db2.gz LTLAIIMUQBRTHP-BBBLOLIVSA-N 0 3 224.308 0.891 20 0 BCADHN C[C@H]1COC[C@H]1NC1CN(c2ccncn2)C1 ZINC000926792716 645435631 /nfs/dbraw/zinc/43/56/31/645435631.db2.gz CBVTVLRJLCCYTH-GXSJLCMTSA-N 0 3 234.303 0.290 20 0 BCADHN CCNCC(=O)N(CC)c1cnn(C)c1 ZINC000848440852 645438712 /nfs/dbraw/zinc/43/87/12/645438712.db2.gz NFFZBPFNENXFGR-UHFFFAOYSA-N 0 3 210.281 0.383 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NCCc1ccns1 ZINC000926843982 645455325 /nfs/dbraw/zinc/45/53/25/645455325.db2.gz YJGDYOZXBBLFCF-SECBINFHSA-N 0 3 239.344 0.800 20 0 BCADHN C[C@H](N[C@@H]1CCN(C)[C@@H]1C)c1cnn(C)n1 ZINC000926887713 645474047 /nfs/dbraw/zinc/47/40/47/645474047.db2.gz BDHBRUDOMYOQEN-IVZWLZJFSA-N 0 3 223.324 0.558 20 0 BCADHN CON(C)C(=O)CN1CCC[C@@H](C)[C@H]1CCO ZINC000852463733 645483311 /nfs/dbraw/zinc/48/33/11/645483311.db2.gz ZHRWGAGJVZCDIH-GHMZBOCLSA-N 0 3 244.335 0.489 20 0 BCADHN Cc1cc(CCN[C@H](C)c2cnnn2C)nn1C ZINC000926912650 645485746 /nfs/dbraw/zinc/48/57/46/645485746.db2.gz XVZSNHDTHWJFRK-SNVBAGLBSA-N 0 3 248.334 0.750 20 0 BCADHN C[C@@H](NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccnnc1 ZINC000926941153 645492979 /nfs/dbraw/zinc/49/29/79/645492979.db2.gz CYCGHJJLCYUPMF-JHEVNIALSA-N 0 3 249.314 0.931 20 0 BCADHN C[C@H](NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccnnc1 ZINC000926941154 645493076 /nfs/dbraw/zinc/49/30/76/645493076.db2.gz CYCGHJJLCYUPMF-RYDUCSDGSA-N 0 3 249.314 0.931 20 0 BCADHN O=C1C[C@H](CCN[C@H]2CCCc3c[nH]nc32)CN1 ZINC000926980166 645505242 /nfs/dbraw/zinc/50/52/42/645505242.db2.gz OOPPSJVFSQDVRU-ONGXEEELSA-N 0 3 248.330 0.903 20 0 BCADHN C[C@@H](NCCO[C@@H]1CCOC1)c1ccnnc1 ZINC000927077112 645540518 /nfs/dbraw/zinc/54/05/18/645540518.db2.gz HWLXDXQLBJHQBT-ZYHUDNBSSA-N 0 3 237.303 0.933 20 0 BCADHN CC(C)[C@H](CO)O[N-]C(=O)C1CC[NH+](C)CC1 ZINC000857287540 645544930 /nfs/dbraw/zinc/54/49/30/645544930.db2.gz QSTZUNCZMZRLFB-NSHDSACASA-N 0 3 244.335 0.393 20 0 BCADHN Cc1cccc(N2C(=O)N[C@H](CN(C)C)C2=O)n1 ZINC000927219025 645590417 /nfs/dbraw/zinc/59/04/17/645590417.db2.gz YVWRHSREYSELPA-SECBINFHSA-N 0 3 248.286 0.376 20 0 BCADHN Cc1cc(C(=O)NOCCN(C)C)cnc1F ZINC000857721352 645661740 /nfs/dbraw/zinc/66/17/40/645661740.db2.gz IFKDILDJYWIKBY-UHFFFAOYSA-N 0 3 241.266 0.752 20 0 BCADHN C[C@H]1CN(C[C@@H](O)CC2(O)CCC2)CCN1C ZINC000859216045 645677530 /nfs/dbraw/zinc/67/75/30/645677530.db2.gz DFSMMDITPIVPER-RYUDHWBXSA-N 0 3 242.363 0.288 20 0 BCADHN Cc1ccnn1CC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928428544 645741091 /nfs/dbraw/zinc/74/10/91/645741091.db2.gz XUYKCXAAOUATEG-QWRGUYRKSA-N 0 3 236.319 0.400 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928425475 645743563 /nfs/dbraw/zinc/74/35/63/645743563.db2.gz ACXAIDIIILEMDS-MMWGEVLESA-N 0 3 228.336 0.602 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2cc(F)c[nH]2)CCN1C ZINC000928431529 645745698 /nfs/dbraw/zinc/74/56/98/645745698.db2.gz FCVJFOSREZNFFL-CBAPKCEASA-N 0 3 225.267 0.976 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cn(C)cn2)CCN1C ZINC000928441107 645746164 /nfs/dbraw/zinc/74/61/64/645746164.db2.gz OUFAESYXUYDOMQ-RKDXNWHRSA-N 0 3 222.292 0.243 20 0 BCADHN COCC(C)(C)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928432477 645749755 /nfs/dbraw/zinc/74/97/55/645749755.db2.gz FLPMUWPQBMWEBZ-UWVGGRQHSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@H](O)C2CCC2)CCN1C ZINC000928437538 645757181 /nfs/dbraw/zinc/75/71/81/645757181.db2.gz XDJHINOHGZIHSN-FBIMIBRVSA-N 0 3 226.320 0.356 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCCOC2)CCN1C ZINC000928438278 645758412 /nfs/dbraw/zinc/75/84/12/645758412.db2.gz DQONPVZSWILOBW-VWYCJHECSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@]2(C)CCOC2)CCN1C ZINC000928441078 645763758 /nfs/dbraw/zinc/76/37/58/645763758.db2.gz SCYGCOXJJQAWFI-FOGDFJRCSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1C)c1cncnc1 ZINC000928444789 645766060 /nfs/dbraw/zinc/76/60/60/645766060.db2.gz UZBFSRQQGYESKD-JBLDHEPKSA-N 0 3 248.330 0.789 20 0 BCADHN CC(C)OCC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928444888 645767822 /nfs/dbraw/zinc/76/78/22/645767822.db2.gz NBRQHEVKAZJXER-VHSXEESVSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1C)c1cncnc1 ZINC000928444792 645769999 /nfs/dbraw/zinc/76/99/99/645769999.db2.gz UZBFSRQQGYESKD-UMNHJUIQSA-N 0 3 248.330 0.789 20 0 BCADHN Cc1cc(CC(=O)N[C@H]2CCN(C)[C@@H]2C)no1 ZINC000928448982 645772275 /nfs/dbraw/zinc/77/22/75/645772275.db2.gz PKDQPWQWJJZABC-KOLCDFICSA-N 0 3 237.303 0.734 20 0 BCADHN Cc1[nH]nc(C(=O)N[C@@H]2CCN(C)[C@H]2C)c1C ZINC000928447670 645773878 /nfs/dbraw/zinc/77/38/78/645773878.db2.gz LKFVEVDABTXMTK-VHSXEESVSA-N 0 3 236.319 0.849 20 0 BCADHN COC(C)(C)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928447330 645773941 /nfs/dbraw/zinc/77/39/41/645773941.db2.gz JKHXTCGHBOPJFO-IUCAKERBSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1C)n1cncn1 ZINC000928446670 645774063 /nfs/dbraw/zinc/77/40/63/645774063.db2.gz YHRWWDOCAAGPCM-BBBLOLIVSA-N 0 3 237.307 0.048 20 0 BCADHN Cc1[nH]nc(C(=O)N[C@H]2CCN(C)[C@H]2C)c1C ZINC000928447669 645774106 /nfs/dbraw/zinc/77/41/06/645774106.db2.gz LKFVEVDABTXMTK-UWVGGRQHSA-N 0 3 236.319 0.849 20 0 BCADHN CCc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)[nH]n1 ZINC000928450309 645777569 /nfs/dbraw/zinc/77/75/69/645777569.db2.gz DIXRQBNAEGSJGG-WCBMZHEXSA-N 0 3 236.319 0.795 20 0 BCADHN CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928458168 645780258 /nfs/dbraw/zinc/78/02/58/645780258.db2.gz RNMVQPQGUNQZBR-KXUCPTDWSA-N 0 3 241.335 0.110 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)Cn2ccccc2=O)CCN1C ZINC000928455374 645780802 /nfs/dbraw/zinc/78/08/02/645780802.db2.gz OYTMZKOVKGOXIK-MNOVXSKESA-N 0 3 249.314 0.057 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2n[nH]c3c2CCC3)CCN1C ZINC000928455546 645782988 /nfs/dbraw/zinc/78/29/88/645782988.db2.gz MUCUDDTUYMWWTL-SCZZXKLOSA-N 0 3 248.330 0.721 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cccnc2)CCN1C ZINC000928455357 645783584 /nfs/dbraw/zinc/78/35/84/645783584.db2.gz GJGPLIXKXUMNJW-MWLCHTKSSA-N 0 3 219.288 0.904 20 0 BCADHN CN(C[C@@H]1CC1(C)C)S(=O)(=O)C1CNC1 ZINC000923659686 645799715 /nfs/dbraw/zinc/79/97/15/645799715.db2.gz PWROREUWJTZKLZ-QMMMGPOBSA-N 0 3 232.349 0.266 20 0 BCADHN CCN(OC)C(=O)CN[C@@H](C)[C@H](C)OC ZINC000877608629 645802600 /nfs/dbraw/zinc/80/26/00/645802600.db2.gz XSLKUQCCHANMDM-IUCAKERBSA-N 0 3 218.297 0.409 20 0 BCADHN CO[C@H](C)CN1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880523711 645834321 /nfs/dbraw/zinc/83/43/21/645834321.db2.gz KQCHVYWNUXNSFO-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN CCN(CC)CC(=O)N1CCc2ncncc2C1 ZINC000883032539 645846515 /nfs/dbraw/zinc/84/65/15/645846515.db2.gz MGNQSLJPUSIQFX-UHFFFAOYSA-N 0 3 248.330 0.703 20 0 BCADHN Cc1nc2n(n1)CCN(C(=O)[C@@H](N)CC1CC1)C2 ZINC000884222557 645870950 /nfs/dbraw/zinc/87/09/50/645870950.db2.gz UEOIIYNQEZIWNH-JTQLQIEISA-N 0 3 249.318 0.056 20 0 BCADHN C[C@H](C(=O)N1CCN[C@@H](C)[C@@H]1C)c1cncnc1 ZINC000884271526 645873225 /nfs/dbraw/zinc/87/32/25/645873225.db2.gz GHHGDZFRUXSTKU-DCAQKATOSA-N 0 3 248.330 0.789 20 0 BCADHN C[C@H](O)[C@@H](O)CN(C)Cc1ccc(F)cc1 ZINC000929137014 645963737 /nfs/dbraw/zinc/96/37/37/645963737.db2.gz WSBPMGSQQBNDME-CABZTGNLSA-N 0 3 227.279 0.999 20 0 BCADHN CN(C)CC1(c2nc(Cc3cn[nH]c3)no2)CC1 ZINC000924139085 645997194 /nfs/dbraw/zinc/99/71/94/645997194.db2.gz WYMBJOHWJJCPGL-UHFFFAOYSA-N 0 3 247.302 0.977 20 0 BCADHN CC[C@@H]1C[C@H]1CN1CCN(CC(N)=O)CC1 ZINC000929195033 645998013 /nfs/dbraw/zinc/99/80/13/645998013.db2.gz VEWUVLJSKLZYNY-MNOVXSKESA-N 0 3 225.336 0.135 20 0 BCADHN CC(C)N1CCN(C[C@@H](O)C2(O)CCC2)CC1 ZINC000929202855 646004015 /nfs/dbraw/zinc/00/40/15/646004015.db2.gz OKJYUKISUWXOOL-GFCCVEGCSA-N 0 3 242.363 0.288 20 0 BCADHN C[C@@H](O)[C@@H](O)CN(C)Cc1cccc(F)c1 ZINC000929210237 646005550 /nfs/dbraw/zinc/00/55/50/646005550.db2.gz KZMSAFLFTGKNLE-SKDRFNHKSA-N 0 3 227.279 0.999 20 0 BCADHN Cc1[nH]cnc1CC(=O)NCC[C@H]1CCCO1 ZINC000924206032 646007610 /nfs/dbraw/zinc/00/76/10/646007610.db2.gz CLQYSNFBGRZFRR-SNVBAGLBSA-N 0 3 237.303 0.946 20 0 BCADHN CCOC(=O)C1CCN(C[C@@H](O)[C@H](C)O)CC1 ZINC000929213683 646008477 /nfs/dbraw/zinc/00/84/77/646008477.db2.gz ABTAKXWAQMSARI-GXSJLCMTSA-N 0 3 245.319 0.003 20 0 BCADHN CN1CCCN(CC(=O)Nc2cccnn2)CC1 ZINC000929216557 646014712 /nfs/dbraw/zinc/01/47/12/646014712.db2.gz DNDAQJNXQIWXPR-UHFFFAOYSA-N 0 3 249.318 0.053 20 0 BCADHN COC[C@H](CN(C)CC(=O)N(C)C)C(C)C ZINC000929223762 646022225 /nfs/dbraw/zinc/02/22/25/646022225.db2.gz DYCOYHYLOVEHIW-NSHDSACASA-N 0 3 230.352 0.925 20 0 BCADHN C[C@@H](CN1C(=O)N[C@H](CN(C)C)C1=O)C1CC1 ZINC000924523615 646045598 /nfs/dbraw/zinc/04/55/98/646045598.db2.gz DFIXOUPUCKOIRA-WCBMZHEXSA-N 0 3 239.319 0.515 20 0 BCADHN COC(=O)/C=C(/C)CN1CCCC[C@H]1CO ZINC000929269963 646049361 /nfs/dbraw/zinc/04/93/61/646049361.db2.gz YCZOFXQKRVULNF-BRNRAETOSA-N 0 3 227.304 0.953 20 0 BCADHN C([C@@H]1C[C@@H]2COC[C@H]2O1)N1CCSCC1 ZINC000929275378 646054458 /nfs/dbraw/zinc/05/44/58/646054458.db2.gz AIUNIFFZCLHQKU-OUAUKWLOSA-N 0 3 229.345 0.839 20 0 BCADHN CN(CC(=O)N1CCOC(C)(C)C1)CC1CC1 ZINC000929289461 646065112 /nfs/dbraw/zinc/06/51/12/646065112.db2.gz CKUGXCOWFHQAGF-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CCNC(=O)CN(C)C[C@@H](COC)C(C)C ZINC000929295650 646067883 /nfs/dbraw/zinc/06/78/83/646067883.db2.gz JWRHNCMTFAGABJ-NSHDSACASA-N 0 3 230.352 0.973 20 0 BCADHN CCN(CC(=O)NC)C[C@@H](COC)C(C)C ZINC000929320223 646079387 /nfs/dbraw/zinc/07/93/87/646079387.db2.gz RKKAMXQDOJYCKF-NSHDSACASA-N 0 3 230.352 0.973 20 0 BCADHN C[C@H](C1CCC1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924652077 646085296 /nfs/dbraw/zinc/08/52/96/646085296.db2.gz CEOBZGGBLNMGHA-PSASIEDQSA-N 0 3 239.319 0.657 20 0 BCADHN CN(C)C[C@H]1NC(=O)N(C2CC=CC2)C1=O ZINC000924659728 646085752 /nfs/dbraw/zinc/08/57/52/646085752.db2.gz GIHNVNJLSBQOHK-SECBINFHSA-N 0 3 223.276 0.187 20 0 BCADHN CC(C)C[C@H](C)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924665081 646089691 /nfs/dbraw/zinc/08/96/91/646089691.db2.gz VTFMJMCOHKTFHM-VHSXEESVSA-N 0 3 241.335 0.903 20 0 BCADHN OC[C@H]1CCCN1Cc1cnn(CCF)c1 ZINC000929359895 646095908 /nfs/dbraw/zinc/09/59/08/646095908.db2.gz ZXJWPXLHKYYDED-LLVKDONJSA-N 0 3 227.283 0.809 20 0 BCADHN C([C@H]1COCCO1)N1CCN(C2CC2)CC1 ZINC000929360533 646097089 /nfs/dbraw/zinc/09/70/89/646097089.db2.gz IMEJTZOCIZAMPN-LBPRGKRZSA-N 0 3 226.320 0.182 20 0 BCADHN CCN1CCC[C@H](N[C@H](C)c2cnn(C)n2)C1 ZINC000924746081 646100280 /nfs/dbraw/zinc/10/02/80/646100280.db2.gz FCAWQIMDNLZOAZ-MNOVXSKESA-N 0 3 237.351 0.950 20 0 BCADHN C[C@@H](N[C@H]1CCCN(C)C1)c1cnn(C)n1 ZINC000924747840 646100324 /nfs/dbraw/zinc/10/03/24/646100324.db2.gz MEJDJTHPPQYEQA-ZJUUUORDSA-N 0 3 223.324 0.560 20 0 BCADHN CNC(=O)CN(C)C(=O)[C@H]1CCCN1C(C)C ZINC000929396296 646107570 /nfs/dbraw/zinc/10/75/70/646107570.db2.gz PKUMEXACMBQNQC-SNVBAGLBSA-N 0 3 241.335 0.064 20 0 BCADHN Cc1nccn1CCN[C@@H](C)c1cnn(C)n1 ZINC000924871144 646122379 /nfs/dbraw/zinc/12/23/79/646122379.db2.gz DAMCTMCJZRVJQN-VIFPVBQESA-N 0 3 234.307 0.671 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N(OCCC2CC2)C1=O ZINC000924896610 646127754 /nfs/dbraw/zinc/12/77/54/646127754.db2.gz UUPJAITVIOLJBB-VIFPVBQESA-N 0 3 241.291 0.200 20 0 BCADHN CN(C)C[C@H]1NC(=O)N(CCC(C)(F)F)C1=O ZINC000924899241 646127894 /nfs/dbraw/zinc/12/78/94/646127894.db2.gz CPVXWNAQRIAALP-SSDOTTSWSA-N 0 3 249.261 0.514 20 0 BCADHN CC/C=C/CN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924907482 646130823 /nfs/dbraw/zinc/13/08/23/646130823.db2.gz NBCYIBKKUHGYDW-VUHVRTRXSA-N 0 3 225.292 0.435 20 0 BCADHN COC[C@H](CN1CCCNC(=O)C1)C(C)C ZINC000929481714 646138039 /nfs/dbraw/zinc/13/80/39/646138039.db2.gz IAYQLBKFPLCSFX-NSHDSACASA-N 0 3 228.336 0.727 20 0 BCADHN CC[C@@H](C1CC1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924985569 646149004 /nfs/dbraw/zinc/14/90/04/646149004.db2.gz FQXNPTITNFNZLO-ZJUUUORDSA-N 0 3 239.319 0.657 20 0 BCADHN C[C@H]1CCC[C@]1(C)C(=O)NCCN(C)CCO ZINC000925003324 646153694 /nfs/dbraw/zinc/15/36/94/646153694.db2.gz CTRIXFQNEUBPBP-AAEUAGOBSA-N 0 3 242.363 0.853 20 0 BCADHN C/C(=C(/F)C(=O)NCCN(C)CCO)C1CC1 ZINC000925001149 646153903 /nfs/dbraw/zinc/15/39/03/646153903.db2.gz RTQNSPVXNBJJQJ-LUAWRHEFSA-N 0 3 244.310 0.680 20 0 BCADHN CN(C[C@@H](O)CO)[C@@H](CO)c1ccccc1 ZINC000929502979 646155997 /nfs/dbraw/zinc/15/59/97/646155997.db2.gz CBZJHVBBLICFBS-NEPJUHHUSA-N 0 3 225.288 0.005 20 0 BCADHN COC/C(C)=C/CN1CCN(C[C@H](C)O)CC1 ZINC000929508267 646159683 /nfs/dbraw/zinc/15/96/83/646159683.db2.gz NVZPFTUQFYTITI-VFJIKVCNSA-N 0 3 242.363 0.578 20 0 BCADHN COc1cccc(CN(CCO)CCO)c1C ZINC000929514110 646162737 /nfs/dbraw/zinc/16/27/37/646162737.db2.gz JQOMRQDDDNBNRN-UHFFFAOYSA-N 0 3 239.315 0.790 20 0 BCADHN CCC[C@H](O)CN[C@@H](C)c1cnnn1C ZINC000925042343 646165456 /nfs/dbraw/zinc/16/54/56/646165456.db2.gz 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0.558 20 0 BCADHN COC[C@@H](O)CNCc1cncc(OC)c1 ZINC000700042367 711984504 /nfs/dbraw/zinc/98/45/04/711984504.db2.gz ULQGUAIGYXRXKH-JTQLQIEISA-N 0 3 226.276 0.187 20 0 BCADHN COC[C@]1(C(=O)N[C@@H]2C=CCC2)CCCCN1 ZINC000701425340 712022853 /nfs/dbraw/zinc/02/28/53/712022853.db2.gz ZKKDWAICSORALN-YPMHNXCESA-N 0 3 238.331 0.980 20 0 BCADHN CCN(C(=O)[C@H]1C[C@@H]1C)[C@@H]1CCN(CCO)C1 ZINC001033919624 712027987 /nfs/dbraw/zinc/02/79/87/712027987.db2.gz MPTOSNWFUBGQEW-TUAOUCFPSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)[C@@H]1C ZINC000702352822 712046598 /nfs/dbraw/zinc/04/65/98/712046598.db2.gz SZKDZRULQRMYRT-BBBLOLIVSA-N 0 3 213.325 0.132 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000702388744 712050471 /nfs/dbraw/zinc/05/04/71/712050471.db2.gz BEBYJBBKKKLMND-WYUUTHIRSA-N 0 3 239.363 0.428 20 0 BCADHN CCC[C@@H](C)N(C)C(=O)[C@@H](N)CN(C)C ZINC000702403961 712050525 /nfs/dbraw/zinc/05/05/25/712050525.db2.gz YBZFGKJODUCZNW-ZJUUUORDSA-N 0 3 215.341 0.522 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCc1ccsc1 ZINC000702407880 712051084 /nfs/dbraw/zinc/05/10/84/712051084.db2.gz HGNLAXACSXVJMM-VIFPVBQESA-N 0 3 227.333 0.253 20 0 BCADHN Cc1ccccc1CNC(=O)[C@@H](N)CN(C)C ZINC000702416814 712051822 /nfs/dbraw/zinc/05/18/22/712051822.db2.gz IKDQDQWFEOOZQY-LBPRGKRZSA-N 0 3 235.331 0.500 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCCC(F)(F)F ZINC000702412140 712051858 /nfs/dbraw/zinc/05/18/58/712051858.db2.gz AKGWJYLUTJDDRX-ZETCQYMHSA-N 0 3 241.257 0.334 20 0 BCADHN COC1CC(CN2C[C@H](CO)OC(C)(C)C2)C1 ZINC000703730692 712086194 /nfs/dbraw/zinc/08/61/94/712086194.db2.gz IYIVFFCAMLBACE-HTAVTVPLSA-N 0 3 243.347 0.883 20 0 BCADHN COC[C@@H](C)OC(=O)NCCN1CCCC1 ZINC000704405413 712106789 /nfs/dbraw/zinc/10/67/89/712106789.db2.gz UYZQHPWHQPHFLW-SNVBAGLBSA-N 0 3 230.308 0.843 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N1CCOC[C@@H]1C ZINC000704513309 712111480 /nfs/dbraw/zinc/11/14/80/712111480.db2.gz DNXVDICXANODSB-WDEREUQCSA-N 0 3 228.336 0.997 20 0 BCADHN COCCOC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000704756822 712115083 /nfs/dbraw/zinc/11/50/83/712115083.db2.gz PGWCTWVLGUHNLP-SNVBAGLBSA-N 0 3 230.308 0.699 20 0 BCADHN Cc1ccc(CN2C[C@H](CO)[C@H](CO)C2)o1 ZINC000705329528 712128276 /nfs/dbraw/zinc/12/82/76/712128276.db2.gz BOXFWSNLIJKUMU-PHIMTYICSA-N 0 3 225.288 0.621 20 0 BCADHN CCC[C@@H](CNC(=O)[C@@H](N)CCOC)OCC ZINC000705365983 712130836 /nfs/dbraw/zinc/13/08/36/712130836.db2.gz WCDUBQYNIVQMKO-QWRGUYRKSA-N 0 3 246.351 0.672 20 0 BCADHN Cc1ccc(NC(=O)[C@@H](N)CN(C)C)c(C)n1 ZINC000705402701 712131547 /nfs/dbraw/zinc/13/15/47/712131547.db2.gz GCEUNWJQNIVHGI-JTQLQIEISA-N 0 3 236.319 0.526 20 0 BCADHN CCC(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035626938 712137520 /nfs/dbraw/zinc/13/75/20/712137520.db2.gz RQCZJHXPTDBYGA-UHFFFAOYSA-N 0 3 226.320 0.313 20 0 BCADHN COCC[C@H](N)C(=O)N1[C@H](C)CC[C@H]1C ZINC000706197848 712141972 /nfs/dbraw/zinc/14/19/72/712141972.db2.gz FKLCHAGXPPOFTP-BBBLOLIVSA-N 0 3 214.309 0.750 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@H]1CCCC12CC2 ZINC000706224188 712141976 /nfs/dbraw/zinc/14/19/76/712141976.db2.gz ACFKUNHNOPUOGV-MNOVXSKESA-N 0 3 239.363 0.572 20 0 BCADHN O=S(=O)(N[C@@H]1CCCC12CC2)C1CNC1 ZINC000706605579 712150217 /nfs/dbraw/zinc/15/02/17/712150217.db2.gz FBCBRCQBCDPNLV-SECBINFHSA-N 0 3 230.333 0.210 20 0 BCADHN CC1(C)CO[C@@H](CNCCS(C)(=O)=O)C1 ZINC000708405856 712192331 /nfs/dbraw/zinc/19/23/31/712192331.db2.gz TVQCCLKMSRRSQF-SECBINFHSA-N 0 3 235.349 0.436 20 0 BCADHN C[S@](=O)CCN(CCO)CC1CC1 ZINC000708514994 712212092 /nfs/dbraw/zinc/21/20/92/712212092.db2.gz FRQGHHDOSGPELT-ZDUSSCGKSA-N 0 3 205.323 0.069 20 0 BCADHN CC(=O)N1CC[C@@H]2[C@H](CCN2CCF)C1 ZINC001036610747 712224654 /nfs/dbraw/zinc/22/46/54/712224654.db2.gz SXIVARJDRWJIRL-GHMZBOCLSA-N 0 3 214.284 0.899 20 0 BCADHN C[C@@H](NCC1(O)CCC1)c1cn(C)cn1 ZINC000709992673 712237951 /nfs/dbraw/zinc/23/79/51/712237951.db2.gz OSWWNPJOJCNPCC-SECBINFHSA-N 0 3 209.293 0.986 20 0 BCADHN CNC(=O)CCCN[C@H](C)c1cn(C)cn1 ZINC000710004801 712239368 /nfs/dbraw/zinc/23/93/68/712239368.db2.gz KDYHOISYVXQPIW-SECBINFHSA-N 0 3 224.308 0.597 20 0 BCADHN Cc1cnn(C)c1CN[C@@H]1COC[C@H]1C ZINC000710848238 712258925 /nfs/dbraw/zinc/25/89/25/712258925.db2.gz ZCZHPLOELLKWDF-NXEZZACHSA-N 0 3 209.293 0.853 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@H]1COC[C@H]1C ZINC000710950581 712267117 /nfs/dbraw/zinc/26/71/17/712267117.db2.gz QCGWCRYUXRCGEI-UTLUCORTSA-N 0 3 214.309 0.526 20 0 BCADHN COC[C@@H](CN[C@@H]1CCC1(OC)OC)OC ZINC000710963728 712268935 /nfs/dbraw/zinc/26/89/35/712268935.db2.gz DGTHEFYJHLCDBK-NXEZZACHSA-N 0 3 233.308 0.389 20 0 BCADHN CC[S@](=O)CCN[C@@H]1CCC1(OC)OC ZINC000710960154 712268250 /nfs/dbraw/zinc/26/82/50/712268250.db2.gz MVEBMBOFMOPYQN-PSLIRLAXSA-N 0 3 235.349 0.496 20 0 BCADHN COC1(OC)CC[C@@H]1NCCc1cnccn1 ZINC000710967936 712270245 /nfs/dbraw/zinc/27/02/45/712270245.db2.gz RPQHZVGMDVEFDM-NSHDSACASA-N 0 3 237.303 0.760 20 0 BCADHN O[C@H](CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)C(F)(F)F ZINC000712263430 712344699 /nfs/dbraw/zinc/34/46/99/712344699.db2.gz ATWIGQFBWAWAJM-UYXSQOIJSA-N 0 3 239.237 0.612 20 0 BCADHN O[C@@H](CN1CCN(C2CCC2)CC1)C1CC1 ZINC000378668055 712357027 /nfs/dbraw/zinc/35/70/27/712357027.db2.gz KNVIPCMUYUMPBP-ZDUSSCGKSA-N 0 3 224.348 0.927 20 0 BCADHN CN1CC[C@H](NCc2cnn(C)c2Cl)C1 ZINC000378765311 712361270 /nfs/dbraw/zinc/36/12/70/712361270.db2.gz CNVUFEBRGIGHQA-VIFPVBQESA-N 0 3 228.727 0.867 20 0 BCADHN CNC(=O)[C@H](C)CN(C)Cc1[nH]c(C)nc1C ZINC000724782472 712392633 /nfs/dbraw/zinc/39/26/33/712392633.db2.gz ARBOEHPCPPTZGC-MRVPVSSYSA-N 0 3 238.335 0.840 20 0 BCADHN C[C@@H](NC[C@H]1CCN1C)c1cnccn1 ZINC000712604465 712436645 /nfs/dbraw/zinc/43/66/45/712436645.db2.gz CWOOXNZSNSLUMI-NXEZZACHSA-N 0 3 206.293 0.831 20 0 BCADHN CC1(C)CC[C@H](CN2C[C@@H](O)[C@@H](O)C2)OC1 ZINC000713571158 712465329 /nfs/dbraw/zinc/46/53/29/712465329.db2.gz QMPZKERMRSOMDX-MXWKQRLJSA-N 0 3 229.320 0.229 20 0 BCADHN CC1(C)CC[C@H](CN(CCO)CCO)OC1 ZINC000713571024 712465443 /nfs/dbraw/zinc/46/54/43/712465443.db2.gz OPEXXLGZZQOZNH-LLVKDONJSA-N 0 3 231.336 0.478 20 0 BCADHN CCn1cc(CNC[C@H](C)CCCO)nn1 ZINC000714897743 712499345 /nfs/dbraw/zinc/49/93/45/712499345.db2.gz YZKGTCBMBSKQGS-SNVBAGLBSA-N 0 3 226.324 0.796 20 0 BCADHN C[C@@H](NC[C@@]1(C)CCOC1)c1cn(C)nn1 ZINC000715853901 712536758 /nfs/dbraw/zinc/53/67/58/712536758.db2.gz USNXJERNPKACPN-MWLCHTKSSA-N 0 3 224.308 0.892 20 0 BCADHN Cn1cnc(CNC2CCC(O)CC2)c1 ZINC000379816443 712611666 /nfs/dbraw/zinc/61/16/66/712611666.db2.gz RPSGUKZOMFFBCH-UHFFFAOYSA-N 0 3 209.293 0.813 20 0 BCADHN Cc1cc(CN[C@H]2CCN(C)C2)nn1C ZINC000379968740 712641076 /nfs/dbraw/zinc/64/10/76/712641076.db2.gz OTGNEPNFNGLOKE-JTQLQIEISA-N 0 3 208.309 0.522 20 0 BCADHN Cc1cc(F)ccc1CNC[C@H](O)[C@H](C)O ZINC000717308850 712646293 /nfs/dbraw/zinc/64/62/93/712646293.db2.gz QFXYTTPTRLDVSF-CABZTGNLSA-N 0 3 227.279 0.965 20 0 BCADHN COc1cc(F)cc(CNC[C@H](O)[C@@H](C)O)c1 ZINC000717356998 712650342 /nfs/dbraw/zinc/65/03/42/712650342.db2.gz AFSSKSJVXHEYSU-PELKAZGASA-N 0 3 243.278 0.666 20 0 BCADHN C[NH2+]CCC[N-]S(=O)(=O)c1ccns1 ZINC000717723438 712667252 /nfs/dbraw/zinc/66/72/52/712667252.db2.gz NOZOGRGEBKUNDK-UHFFFAOYSA-N 0 3 235.334 0.031 20 0 BCADHN O=S(=O)([N-][C@@H]1CCC[NH2+]C1)c1ccns1 ZINC000717736651 712669296 /nfs/dbraw/zinc/66/92/96/712669296.db2.gz PIJNOKASTQSQAB-SSDOTTSWSA-N 0 3 247.345 0.173 20 0 BCADHN CCOC(=O)CCN(C)C(COC)COC ZINC000385082590 712708622 /nfs/dbraw/zinc/70/86/22/712708622.db2.gz ZDTNWXIJXSMZKM-UHFFFAOYSA-N 0 3 233.308 0.533 20 0 BCADHN Cc1coc(C(=O)N(C)CCN(C)CCO)c1 ZINC000718439148 712761554 /nfs/dbraw/zinc/76/15/54/712761554.db2.gz YRVZFKUNVJRKEW-UHFFFAOYSA-N 0 3 240.303 0.584 20 0 BCADHN CC[C@H]1CCCN1S(=O)(=O)N1CCNCC1 ZINC000037914282 712786864 /nfs/dbraw/zinc/78/68/64/712786864.db2.gz OMMJULKVIPCKEP-JTQLQIEISA-N 0 3 247.364 0.011 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@H](C2OCCO2)C1 ZINC000718986870 712792392 /nfs/dbraw/zinc/79/23/92/712792392.db2.gz FMUDDWRIDJQUQU-ZJUUUORDSA-N 0 3 242.319 0.158 20 0 BCADHN C[C@@H]1[C@@H](C)CCN1C(=O)c1c(CN)cnn1C ZINC000719205078 712800198 /nfs/dbraw/zinc/80/01/98/712800198.db2.gz MJWHYAWDVQMZES-DTWKUNHWSA-N 0 3 236.319 0.749 20 0 BCADHN CC(C)CNC(=O)c1c(CN)cnn1C ZINC000719245130 712801272 /nfs/dbraw/zinc/80/12/72/712801272.db2.gz QMFWEAIQGAUVEZ-UHFFFAOYSA-N 0 3 210.281 0.265 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)c1c(CN)cnn1C ZINC000719282195 712803705 /nfs/dbraw/zinc/80/37/05/712803705.db2.gz VEIJKGDNKIEUOV-SECBINFHSA-N 0 3 238.335 0.997 20 0 BCADHN CCCOCC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000719434499 712807447 /nfs/dbraw/zinc/80/74/47/712807447.db2.gz JOZUEVONJMMVPQ-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN COc1cc(N[C@H]2CCN(C)[C@@H]2C)ncn1 ZINC000719571242 712811148 /nfs/dbraw/zinc/81/11/48/712811148.db2.gz RTAAGNWBRSXHEQ-BDAKNGLRSA-N 0 3 222.292 0.990 20 0 BCADHN Cc1cc(CN[C@H]2CCN(C)[C@H]2C)nn1C ZINC000719575167 712811591 /nfs/dbraw/zinc/81/15/91/712811591.db2.gz FOVFORRTYKJKMO-JQWIXIFHSA-N 0 3 222.336 0.911 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H](C(C)(C)O)C1 ZINC000719641320 712819388 /nfs/dbraw/zinc/81/93/88/712819388.db2.gz JCCXKICQXQPDCB-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@H](C(C)(C)O)C1 ZINC000719642247 712819504 /nfs/dbraw/zinc/81/95/04/712819504.db2.gz MXYVLTYSUCNRHZ-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1[C@@H](NCc2ccn(C)n2)CCN1C ZINC000719647124 712820361 /nfs/dbraw/zinc/82/03/61/712820361.db2.gz ZCVARXBFHGPRFT-KOLCDFICSA-N 0 3 208.309 0.602 20 0 BCADHN CCN1CCN(c2cc(C)nc(N)n2)CC1 ZINC000038258975 712830334 /nfs/dbraw/zinc/83/03/34/712830334.db2.gz QYLADNDRRQCPJD-UHFFFAOYSA-N 0 3 221.308 0.509 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCO[C@H](C)CC1 ZINC000720424795 712841875 /nfs/dbraw/zinc/84/18/75/712841875.db2.gz BUUVWZVGJWKWMH-NEPJUHHUSA-N 0 3 231.336 0.883 20 0 BCADHN Cc1nnsc1CNC[C@H]1C[C@H](O)C1 ZINC000720907947 712877523 /nfs/dbraw/zinc/87/75/23/712877523.db2.gz RYFKJHFXUGNHAD-ZKCHVHJHSA-N 0 3 213.306 0.707 20 0 BCADHN C[C@H](NC[C@H]1C[C@H](O)C1)c1cn(C)cn1 ZINC000720919259 712878406 /nfs/dbraw/zinc/87/84/06/712878406.db2.gz QJVQOOJQKWYHMX-GUBZILKMSA-N 0 3 209.293 0.842 20 0 BCADHN CC[C@@H](NCc1cnn(C)n1)[C@H]1CCOC1 ZINC000381364089 710627765 /nfs/dbraw/zinc/62/77/65/710627765.db2.gz GISCUQNCLQWRTI-GXSJLCMTSA-N 0 3 224.308 0.720 20 0 BCADHN CCCS(=O)(=O)CCN[C@]1(CC)CCOC1 ZINC000381488526 710645387 /nfs/dbraw/zinc/64/53/87/710645387.db2.gz WIEJPMBJGFDAEQ-LLVKDONJSA-N 0 3 249.376 0.970 20 0 BCADHN CCC(=O)N1CC[C@H](NCc2n[nH]c(C)n2)C1 ZINC001018375378 710666162 /nfs/dbraw/zinc/66/61/62/710666162.db2.gz ICQXRBDYHMPXCX-VIFPVBQESA-N 0 3 237.307 0.214 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CC[C@@H](C(C)(C)O)C1 ZINC000721839462 710685068 /nfs/dbraw/zinc/68/50/68/710685068.db2.gz WMHOPJZCYAIBHG-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN CCOC[C@H](NCC(=O)N(C)OC)C(C)C ZINC000381761202 710704670 /nfs/dbraw/zinc/70/46/70/710704670.db2.gz UABNPEXROLBUFB-JTQLQIEISA-N 0 3 232.324 0.657 20 0 BCADHN CCN1CCC[C@H](N[C@H]2CCOC2)C1=O ZINC000722355100 710707678 /nfs/dbraw/zinc/70/76/78/710707678.db2.gz HMQYGCCNWKLKQS-UWVGGRQHSA-N 0 3 212.293 0.376 20 0 BCADHN CCCn1cc(NC(=O)[C@H](CN)OC)cn1 ZINC000722372978 710712208 /nfs/dbraw/zinc/71/22/08/710712208.db2.gz FZJOAUQSUUWCAX-VIFPVBQESA-N 0 3 226.280 0.205 20 0 BCADHN CC(C)N1CC[C@@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC001038980738 710715897 /nfs/dbraw/zinc/71/58/97/710715897.db2.gz BTIFUDOHLNZSKZ-LLVKDONJSA-N 0 3 249.314 1.000 20 0 BCADHN C[C@]1(NCc2cnc3n2CCOC3)CCOC1 ZINC000722826895 710721259 /nfs/dbraw/zinc/72/12/59/710721259.db2.gz KPSNMLHFFWHKTF-LBPRGKRZSA-N 0 3 237.303 0.682 20 0 BCADHN CC[C@@H](COC)NCc1cnc2n1CCOC2 ZINC000722843373 710722737 /nfs/dbraw/zinc/72/27/37/710722737.db2.gz BMPQNRVQTKLKDB-JTQLQIEISA-N 0 3 239.319 0.928 20 0 BCADHN CO[C@H](CNc1cc(C)nc(N)n1)C1CC1 ZINC000382096793 710776559 /nfs/dbraw/zinc/77/65/59/710776559.db2.gz FAYFJLDBUZASQG-SECBINFHSA-N 0 3 222.292 0.456 20 0 BCADHN CCN1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001043876261 710815586 /nfs/dbraw/zinc/81/55/86/710815586.db2.gz PAQIVHGLUDGUHA-NSHDSACASA-N 0 3 239.363 0.491 20 0 BCADHN C[C@@]1(NC(=O)C2CCCC2)CCN(CCO)C1 ZINC001046099131 710848128 /nfs/dbraw/zinc/84/81/28/710848128.db2.gz GVPOLXPKHGLUOH-CYBMUJFWSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@]1(NC(=O)C2CCC2)CCN(CCO)C1 ZINC001046093967 710848827 /nfs/dbraw/zinc/84/88/27/710848827.db2.gz MTQYMYJZYJMUCG-LBPRGKRZSA-N 0 3 226.320 0.359 20 0 BCADHN C[C@]1(NC(=O)C2=CCCC2)CCN(CCO)C1 ZINC001046240223 710857279 /nfs/dbraw/zinc/85/72/79/710857279.db2.gz QHTCMXSTPWKLPM-ZDUSSCGKSA-N 0 3 238.331 0.670 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2ccc(C)nn2)C1 ZINC001046309973 710857835 /nfs/dbraw/zinc/85/78/35/710857835.db2.gz SLYOXWWEUCBQNT-ZDUSSCGKSA-N 0 3 248.330 0.999 20 0 BCADHN CC(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCCO)C1 ZINC001071349933 710868832 /nfs/dbraw/zinc/86/88/32/710868832.db2.gz NMANQWLXMQVVFF-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1ccc(CN[C@H]2CCC[C@@H]2O)nn1 ZINC000396716817 710906812 /nfs/dbraw/zinc/90/68/12/710906812.db2.gz UFVKBNWCKQLJGQ-QWRGUYRKSA-N 0 3 207.277 0.788 20 0 BCADHN CC[C@H](O)CCCNC(=O)[C@H](N)CC1CC1 ZINC000398579679 710910678 /nfs/dbraw/zinc/91/06/78/710910678.db2.gz SPAORTNYZUIBRL-WDEREUQCSA-N 0 3 228.336 0.781 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@@H](N)CC1CC1 ZINC000398579676 710911016 /nfs/dbraw/zinc/91/10/16/710911016.db2.gz SPAORTNYZUIBRL-MNOVXSKESA-N 0 3 228.336 0.781 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)CCC1OCCCO1 ZINC000399887555 710912032 /nfs/dbraw/zinc/91/20/32/710912032.db2.gz WEQBXAXMNOVHEE-QLJPJBMISA-N 0 3 249.376 0.838 20 0 BCADHN C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1NCCF ZINC001054438256 710934818 /nfs/dbraw/zinc/93/48/18/710934818.db2.gz NACUIXWADBZEGL-SCZZXKLOSA-N 0 3 240.282 0.429 20 0 BCADHN Cc1cc(C)nc(C(=O)NOCCN(C)C)c1 ZINC000383066981 710945056 /nfs/dbraw/zinc/94/50/56/710945056.db2.gz DYCYODORCRBVEA-UHFFFAOYSA-N 0 3 237.303 0.921 20 0 BCADHN CCN(CC(OC)OC)C[C@H](C)OC ZINC000383066728 710945351 /nfs/dbraw/zinc/94/53/51/710945351.db2.gz GJHKUNPBPGUNCX-VIFPVBQESA-N 0 3 205.298 0.962 20 0 BCADHN CCCN1CCN([C@@H]2CCN(C(C)=O)C2)CC1 ZINC001051963079 710959566 /nfs/dbraw/zinc/95/95/66/710959566.db2.gz OFUBHTDDMISYMS-CYBMUJFWSA-N 0 3 239.363 0.635 20 0 BCADHN CC/C=C/CNCCS(=O)(=O)CC ZINC000384805108 710967053 /nfs/dbraw/zinc/96/70/53/710967053.db2.gz ZGRBDGGEHPODLJ-AATRIKPKSA-N 0 3 205.323 0.977 20 0 BCADHN CCN(CC)C(=O)CNC(=O)[C@@H](C)NC1CC1 ZINC000383091135 710977865 /nfs/dbraw/zinc/97/78/65/710977865.db2.gz VUFPVFMMLHVPNG-SECBINFHSA-N 0 3 241.335 0.112 20 0 BCADHN CN(C)CCONC(=O)c1ccc([N+](=O)[O-])o1 ZINC000383371217 710980008 /nfs/dbraw/zinc/98/00/08/710980008.db2.gz YSJPXAYBZIZXFE-UHFFFAOYSA-N 0 3 243.219 0.411 20 0 BCADHN C[N@@H+]1CC[C@@]2(CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC000383937105 710985898 /nfs/dbraw/zinc/98/58/98/710985898.db2.gz UJBPUNGDTVDPDU-GFCCVEGCSA-N 0 3 234.303 0.714 20 0 BCADHN C[N@H+]1CC[C@@]2(CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC000383937105 710985902 /nfs/dbraw/zinc/98/59/02/710985902.db2.gz UJBPUNGDTVDPDU-GFCCVEGCSA-N 0 3 234.303 0.714 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H](N)CC2CC2)[C@H](C)O1 ZINC000384678296 710995221 /nfs/dbraw/zinc/99/52/21/710995221.db2.gz ZWJLFWAAQLNCES-MKHNBGRSSA-N 0 3 226.320 0.796 20 0 BCADHN C[C@@H]1C[C@H](O)CN1c1ccnc(CO)c1 ZINC000385089827 711006204 /nfs/dbraw/zinc/00/62/04/711006204.db2.gz KPTKEMGXIHQGPU-KCJUWKMLSA-N 0 3 208.261 0.533 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCc1cccc(CO)c1 ZINC000385310073 711009551 /nfs/dbraw/zinc/00/95/51/711009551.db2.gz BGNOAFIDJSSFCQ-CYBMUJFWSA-N 0 3 248.326 0.923 20 0 BCADHN COC(=O)/C(C)=C\CN1C[C@H](C)[C@H](O)C1 ZINC000388252720 711054801 /nfs/dbraw/zinc/05/48/01/711054801.db2.gz VOZFJODRVSTZJD-YXCTTXFESA-N 0 3 213.277 0.418 20 0 BCADHN CCS(=O)(=O)CCN[C@H](C)[C@@H](OC)C1CC1 ZINC000388249530 711054930 /nfs/dbraw/zinc/05/49/30/711054930.db2.gz VPSIZFLMBATXGF-MWLCHTKSSA-N 0 3 249.376 0.824 20 0 BCADHN CCn1cc(CN2C[C@H](O)[C@@H](C)C2)cn1 ZINC000387857725 711047907 /nfs/dbraw/zinc/04/79/07/711047907.db2.gz KTSIDWNPZKZEKD-ONGXEEELSA-N 0 3 209.293 0.716 20 0 BCADHN OC[C@@H](O)CN1CCC(C(F)F)CC1 ZINC000388976223 711072027 /nfs/dbraw/zinc/07/20/27/711072027.db2.gz IBDWDIHEUHEXLB-QMMMGPOBSA-N 0 3 209.236 0.317 20 0 BCADHN CON(C)C(=O)CN[C@@H](CO)C(C)(C)C ZINC000389867503 711094063 /nfs/dbraw/zinc/09/40/63/711094063.db2.gz HMPZKTMRMLLIJJ-QMMMGPOBSA-N 0 3 218.297 0.003 20 0 BCADHN Cn1cnc(CNCCCn2ccnc2)c1 ZINC000390144818 711105540 /nfs/dbraw/zinc/10/55/40/711105540.db2.gz QNVUUVANAGXJND-UHFFFAOYSA-N 0 3 219.292 0.797 20 0 BCADHN Cc1cc(N(C)C[C@@H]2CCOC2)nc(N)n1 ZINC000390171942 711107372 /nfs/dbraw/zinc/10/73/72/711107372.db2.gz HEGLMOBZEFAHIN-VIFPVBQESA-N 0 3 222.292 0.670 20 0 BCADHN C[C@@H](C[C@@H]1CCOC1)NCc1cnn(C)n1 ZINC000390455460 711117241 /nfs/dbraw/zinc/11/72/41/711117241.db2.gz CODNXQJOZBXYID-UWVGGRQHSA-N 0 3 224.308 0.720 20 0 BCADHN CN(C)CCONC(=O)C1CCSCC1 ZINC000390483579 711119965 /nfs/dbraw/zinc/11/99/65/711119965.db2.gz MJRBHDKHHVOKQG-UHFFFAOYSA-N 0 3 232.349 0.739 20 0 BCADHN Cn1ncc(CNCC2CCC(O)CC2)n1 ZINC000390500317 711122131 /nfs/dbraw/zinc/12/21/31/711122131.db2.gz TUEUFONDGMKKNM-UHFFFAOYSA-N 0 3 224.308 0.456 20 0 BCADHN CCOC(=O)C1(CNCc2c[nH]cn2)CC1 ZINC000390679034 711132505 /nfs/dbraw/zinc/13/25/05/711132505.db2.gz YXXXFYYUAQQELE-UHFFFAOYSA-N 0 3 223.276 0.843 20 0 BCADHN Cc1cc(CNc2cc(C)nc(N)n2)ccn1 ZINC000391367425 711138713 /nfs/dbraw/zinc/13/87/13/711138713.db2.gz RHPUPRXHQGCZSK-UHFFFAOYSA-N 0 3 229.287 0.935 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1CCOC1(C)C ZINC000392803995 711152494 /nfs/dbraw/zinc/15/24/94/711152494.db2.gz AKLYERFWJAEOQK-SECBINFHSA-N 0 3 235.349 0.578 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCc1ccc(=O)[nH]c1 ZINC000392953285 711155048 /nfs/dbraw/zinc/15/50/48/711155048.db2.gz OLCVFOVDJINZKA-JTQLQIEISA-N 0 3 235.287 0.531 20 0 BCADHN CN(C)CCONC(=O)CCOCC(F)F ZINC000393400892 711158458 /nfs/dbraw/zinc/15/84/58/711158458.db2.gz FZZACDFJMXSKPS-UHFFFAOYSA-N 0 3 240.250 0.268 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1CSC1(C)C ZINC000393866295 711178692 /nfs/dbraw/zinc/17/86/92/711178692.db2.gz PDVHQNWEOZFZJB-MRVPVSSYSA-N 0 3 237.390 0.905 20 0 BCADHN CCS(=O)(=O)CCN[C@@H](C)[C@H]1CCCCO1 ZINC000393880966 711178719 /nfs/dbraw/zinc/17/87/19/711178719.db2.gz BVXFVPNSHAABAU-WDEREUQCSA-N 0 3 249.376 0.968 20 0 BCADHN CCn1ccnc1CNc1cc(C)nc(N)n1 ZINC000395357192 711208778 /nfs/dbraw/zinc/20/87/78/711208778.db2.gz FKLVDJYWDTYYEZ-UHFFFAOYSA-N 0 3 232.291 0.448 20 0 BCADHN C[C@H]1CC[C@@H](NC(=O)C(C)(C)C)CN1CCO ZINC001072015530 711214838 /nfs/dbraw/zinc/21/48/38/711214838.db2.gz DYLVJVSUGWIHOJ-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1cc(N2C[C@H](CO)C[C@H](C)C2)nc(N)n1 ZINC000398816684 711416408 /nfs/dbraw/zinc/41/64/08/711416408.db2.gz ZVAHVGSCMCOIMG-WCBMZHEXSA-N 0 3 236.319 0.652 20 0 BCADHN CCOC(=O)[C@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000399019536 711419412 /nfs/dbraw/zinc/41/94/12/711419412.db2.gz GWDJHKBPXUDFGI-IONNQARKSA-N 0 3 228.292 0.182 20 0 BCADHN CN(CC[S@](C)=O)CC1(O)CCCC1 ZINC000399090004 711419811 /nfs/dbraw/zinc/41/98/11/711419811.db2.gz OIJDIGMQENDDLU-AWEZNQCLSA-N 0 3 219.350 0.602 20 0 BCADHN C[C@@H](C[S@](C)=O)N(C)c1ccnc(CO)c1 ZINC000399090695 711420759 /nfs/dbraw/zinc/42/07/59/711420759.db2.gz OROSHBLTHQKINO-FVMDXXJSSA-N 0 3 242.344 0.777 20 0 BCADHN CN(CC[S@](C)=O)C[C@@H]1CCCC[C@@H]1O ZINC000399115608 711422297 /nfs/dbraw/zinc/42/22/97/711422297.db2.gz XNJVGBZEFPBAGH-PGUXBMHVSA-N 0 3 233.377 0.848 20 0 BCADHN N[C@@H](C(=O)NC[C@H](O)c1ccccc1)C1CCC1 ZINC000399226611 711424830 /nfs/dbraw/zinc/42/48/30/711424830.db2.gz NHLAWAKDOXEOKN-QWHCGFSZSA-N 0 3 248.326 0.964 20 0 BCADHN CC[C@@H](N)c1cn(Cc2cnsn2)nn1 ZINC000399785912 711435213 /nfs/dbraw/zinc/43/52/13/711435213.db2.gz NICXMEZOILNMNO-SSDOTTSWSA-N 0 3 224.293 0.588 20 0 BCADHN CC(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001073501696 711440507 /nfs/dbraw/zinc/44/05/07/711440507.db2.gz QVWZGJQXMDEUEJ-LLVKDONJSA-N 0 3 232.299 0.573 20 0 BCADHN COC[C@@H](NCCS(=O)(=O)C(C)C)C1CC1 ZINC000380996045 710597621 /nfs/dbraw/zinc/59/76/21/710597621.db2.gz MOSOCVIDWLGBSH-LLVKDONJSA-N 0 3 249.376 0.824 20 0 BCADHN CCNC(=O)CNC[C@@H](OC)[C@H](C)CC ZINC000381271072 710614373 /nfs/dbraw/zinc/61/43/73/710614373.db2.gz HUMLKCYDCHQYJK-NXEZZACHSA-N 0 3 216.325 0.773 20 0 BCADHN CO[C@@H](C)CNC1(CO)COC(C)(C)OC1 ZINC000381345650 710625104 /nfs/dbraw/zinc/62/51/04/710625104.db2.gz YXQCQVBETLKWIM-VIFPVBQESA-N 0 3 233.308 0.125 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N[C@@H]1CCCOCC1 ZINC000381369884 710629921 /nfs/dbraw/zinc/62/99/21/710629921.db2.gz HFJXKVCNZCLSSB-MNOVXSKESA-N 0 3 226.320 0.799 20 0 BCADHN Cc1c[nH]nc1CNCCc1ccnn1C ZINC000381427851 710635623 /nfs/dbraw/zinc/63/56/23/710635623.db2.gz ZMJIGYVDNJDIIT-UHFFFAOYSA-N 0 3 219.292 0.784 20 0 BCADHN Cc1c[nH]c(C(=O)NC[C@@H]2CCN2CC2CC2)n1 ZINC001038792668 710705852 /nfs/dbraw/zinc/70/58/52/710705852.db2.gz LRUSJJSXIKCKKR-NSHDSACASA-N 0 3 248.330 0.932 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2ccon2)C1 ZINC001046172265 710852656 /nfs/dbraw/zinc/85/26/56/710852656.db2.gz XTBREPFKUMYSIQ-NSHDSACASA-N 0 3 223.276 0.889 20 0 BCADHN C[C@@]1(NC(=O)c2cnn[n-]2)CC[N@H+](CC2CC2)C1 ZINC001046439084 710859877 /nfs/dbraw/zinc/85/98/77/710859877.db2.gz LPZNAZIRGBHNFB-GFCCVEGCSA-N 0 3 249.318 0.409 20 0 BCADHN C[C@@]1(NC(=O)c2cnn[n-]2)CC[N@@H+](CC2CC2)C1 ZINC001046439084 710859880 /nfs/dbraw/zinc/85/98/80/710859880.db2.gz LPZNAZIRGBHNFB-GFCCVEGCSA-N 0 3 249.318 0.409 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2n[nH]cc2F)C1 ZINC001046602480 710863230 /nfs/dbraw/zinc/86/32/30/710863230.db2.gz NMHUZYKMQIAZAN-LLVKDONJSA-N 0 3 240.282 0.763 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1C[C@H](C)O[C@H]1C ZINC000384595647 710922255 /nfs/dbraw/zinc/92/22/55/710922255.db2.gz NAKGFCGRHCCKEK-LPEHRKFASA-N 0 3 235.349 0.577 20 0 BCADHN CCOC(=O)/C=C/CN(C)CCCCO ZINC000385016124 711003308 /nfs/dbraw/zinc/00/33/08/711003308.db2.gz SITGBPGVFSTNAG-VOTSOKGWSA-N 0 3 215.293 0.810 20 0 BCADHN Cc1nc([C@@H](C)N[C@H]2CCCOC2)n[nH]1 ZINC000392375708 711145241 /nfs/dbraw/zinc/14/52/41/711145241.db2.gz INZSJCIUHOJLBW-APPZFPTMSA-N 0 3 210.281 0.943 20 0 BCADHN Cc1nc([C@H](C)N[C@@H]2CCCOC2)n[nH]1 ZINC000392375713 711145639 /nfs/dbraw/zinc/14/56/39/711145639.db2.gz INZSJCIUHOJLBW-IONNQARKSA-N 0 3 210.281 0.943 20 0 BCADHN COC(OC)[C@H](C)NCc1ccc(=O)[nH]c1 ZINC000392680017 711150919 /nfs/dbraw/zinc/15/09/19/711150919.db2.gz RVQHRUIHZZYEDC-QMMMGPOBSA-N 0 3 226.276 0.884 20 0 BCADHN C[C@@]1(CNC(=O)[C@@H](N)CC2CC2)CCOC1 ZINC000397107000 711376480 /nfs/dbraw/zinc/37/64/80/711376480.db2.gz AEZSMIGBYZSTSB-JQWIXIFHSA-N 0 3 226.320 0.657 20 0 BCADHN CC[C@](C)(CNCC(=O)N(C)OC)OC ZINC000397532457 711385482 /nfs/dbraw/zinc/38/54/82/711385482.db2.gz JPTDPTJVVZDYJE-SNVBAGLBSA-N 0 3 218.297 0.411 20 0 BCADHN Cc1nc(CNC[C@@H]2CNC(=O)C2)sc1C ZINC000398326745 711407878 /nfs/dbraw/zinc/40/78/78/711407878.db2.gz CNSGSBWOZBCETM-SECBINFHSA-N 0 3 239.344 0.986 20 0 BCADHN CCN1CCCO[C@@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001073727126 711439753 /nfs/dbraw/zinc/43/97/53/711439753.db2.gz TXGITVRVNAEAJP-SRVKXCTJSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H]1[C@@H](NCCF)CCN1C(=O)[C@@H]1CCOC1 ZINC001074558433 711443526 /nfs/dbraw/zinc/44/35/26/711443526.db2.gz PJIIYFYYSVYDSG-AXFHLTTASA-N 0 3 244.310 0.571 20 0 BCADHN CCOC(CN[C@](C)(C(N)=O)C(C)C)OCC ZINC000383453265 711449635 /nfs/dbraw/zinc/44/96/35/711449635.db2.gz BAZZSGYIRWOODP-LBPRGKRZSA-N 0 3 246.351 0.875 20 0 BCADHN CC(C)n1cc(CN[C@H]2CCN(C)C2)nn1 ZINC000382570195 711452923 /nfs/dbraw/zinc/45/29/23/711452923.db2.gz QRRCTFUIRUNIHS-JTQLQIEISA-N 0 3 223.324 0.653 20 0 BCADHN COC[C@@H](CCO)N[C@@H]1CCC1(OC)OC ZINC000710962369 711453117 /nfs/dbraw/zinc/45/31/17/711453117.db2.gz ATHGTWFGBHVXIO-NXEZZACHSA-N 0 3 233.308 0.125 20 0 BCADHN CCN1CC([C@@H](C)NC(=O)c2cnn(C)c2)C1 ZINC000969277454 711454583 /nfs/dbraw/zinc/45/45/83/711454583.db2.gz ZVZYGVTUWLAMQY-SECBINFHSA-N 0 3 236.319 0.490 20 0 BCADHN C[C@@H]1COC[C@@H]1NCc1cnc2n1CCOC2 ZINC000722875950 711485341 /nfs/dbraw/zinc/48/53/41/711485341.db2.gz TXSORWKBOHVCAD-KOLCDFICSA-N 0 3 237.303 0.538 20 0 BCADHN CC(C)N1CC[C@@H](NC(=O)c2cnsn2)C1 ZINC000049295831 711490909 /nfs/dbraw/zinc/49/09/09/711490909.db2.gz GAXYETPMVFYPQC-MRVPVSSYSA-N 0 3 240.332 0.751 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@@H](N)C(C)(C)C ZINC000156913567 711504011 /nfs/dbraw/zinc/50/40/11/711504011.db2.gz MUFMFVTXAHSCLY-SNVBAGLBSA-N 0 3 244.335 0.819 20 0 BCADHN C[N@H+](CCC(N)=O)Cc1ccc([O-])c(F)c1 ZINC000382262743 711525001 /nfs/dbraw/zinc/52/50/01/711525001.db2.gz HTXBZKQMXFLNIY-UHFFFAOYSA-N 0 3 226.251 0.839 20 0 BCADHN C[N@@H+](CCC(N)=O)Cc1ccc([O-])c(F)c1 ZINC000382262743 711525003 /nfs/dbraw/zinc/52/50/03/711525003.db2.gz HTXBZKQMXFLNIY-UHFFFAOYSA-N 0 3 226.251 0.839 20 0 BCADHN CS(=O)(=O)CCNC[C@H]1CC[C@H](C2CC2)O1 ZINC000715398059 711545748 /nfs/dbraw/zinc/54/57/48/711545748.db2.gz YNBKSEILOUNKHI-GHMZBOCLSA-N 0 3 247.360 0.578 20 0 BCADHN COC(CN(C)[C@H]1CC[C@H]1OC)OC ZINC000724145100 711564925 /nfs/dbraw/zinc/56/49/25/711564925.db2.gz HPBZPRARXXAUBE-DTWKUNHWSA-N 0 3 203.282 0.715 20 0 BCADHN CO[C@H]1CC[C@@H]1N(C)c1cc(C)nc(N)n1 ZINC000724158581 711565485 /nfs/dbraw/zinc/56/54/85/711565485.db2.gz YTCIJBCEMYOQTN-IUCAKERBSA-N 0 3 222.292 0.981 20 0 BCADHN c1ncc(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)cn1 ZINC000724542927 711587564 /nfs/dbraw/zinc/58/75/64/711587564.db2.gz BKNAXYBPNVINRL-WOPDTQHZSA-N 0 3 235.287 0.370 20 0 BCADHN c1nc(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)c[nH]1 ZINC000724603763 711597497 /nfs/dbraw/zinc/59/74/97/711597497.db2.gz IRECEQLKAJIDGE-MIMYLULJSA-N 0 3 223.276 0.303 20 0 BCADHN OC1CCN(CCO[C@@H]2CCOC2)CC1 ZINC000724974628 711639514 /nfs/dbraw/zinc/63/95/14/711639514.db2.gz CQYQVWMWZLVQPD-LLVKDONJSA-N 0 3 215.293 0.249 20 0 BCADHN COC[C@H](C)CC(=O)[N-]OCC[NH+](C)C ZINC000382220788 711614882 /nfs/dbraw/zinc/61/48/82/711614882.db2.gz ZJRFHCYMIQLDMR-SECBINFHSA-N 0 3 218.297 0.268 20 0 BCADHN OC1CC2(C[C@H]2NCc2cnc3n2CCC3)C1 ZINC000724916437 711627777 /nfs/dbraw/zinc/62/77/77/711627777.db2.gz CLGRNTVRWYYOAI-QWKFWESOSA-N 0 3 233.315 0.832 20 0 BCADHN Cc1nn(C)cc1CNCCO[C@H]1CCOC1 ZINC000724927073 711629942 /nfs/dbraw/zinc/62/99/42/711629942.db2.gz WOKHYHQIZUDXNR-LBPRGKRZSA-N 0 3 239.319 0.624 20 0 BCADHN CC(=O)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001075469901 711638006 /nfs/dbraw/zinc/63/80/06/711638006.db2.gz RDCNPEFUVDPWHH-QWHCGFSZSA-N 0 3 248.330 0.436 20 0 BCADHN CN1CCCN(C(=S)NC2CC2)CC1 ZINC000135746130 711660202 /nfs/dbraw/zinc/66/02/02/711660202.db2.gz MQJZGCSZMSCEPG-UHFFFAOYSA-N 0 3 213.350 0.661 20 0 BCADHN COCCNC(=S)N[C@H]1CCCN(C)C1 ZINC000136150498 711687941 /nfs/dbraw/zinc/68/79/41/711687941.db2.gz HHYJMSDTXJFMDV-VIFPVBQESA-N 0 3 231.365 0.191 20 0 BCADHN Nc1cc(CN2C[C@@H]3C[C@]3(CO)C2)ccn1 ZINC000309563232 711699669 /nfs/dbraw/zinc/69/96/69/711699669.db2.gz PRSGULCSFZURIW-CMPLNLGQSA-N 0 3 219.288 0.478 20 0 BCADHN CCC[C@]1(NCC(=O)N(C)OC)CCOC1 ZINC000309703082 711700449 /nfs/dbraw/zinc/70/04/49/711700449.db2.gz NJWKSKMNVXCWSF-NSHDSACASA-N 0 3 230.308 0.555 20 0 BCADHN CC[C@H](CO)N[C@@H](C)C(=O)Nc1nccs1 ZINC000310015721 711702459 /nfs/dbraw/zinc/70/24/59/711702459.db2.gz KVGBNLFSJLCABQ-JGVFFNPUSA-N 0 3 243.332 0.831 20 0 BCADHN O=C(CCCNCc1cnccn1)NC1CC1 ZINC000092987496 711712816 /nfs/dbraw/zinc/71/28/16/711712816.db2.gz AXQINUVKRDDIOO-UHFFFAOYSA-N 0 3 234.303 0.625 20 0 BCADHN CC1(OCC(=O)Nc2ccc(F)nc2)CNC1 ZINC000219015560 711747910 /nfs/dbraw/zinc/74/79/10/711747910.db2.gz MKTBPZYZYDJZLE-UHFFFAOYSA-N 0 3 239.250 0.538 20 0 BCADHN COCC1(NC[C@@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000894351472 711769211 /nfs/dbraw/zinc/76/92/11/711769211.db2.gz FJMPLBKDCLVBEY-SFYZADRCSA-N 0 3 249.257 0.809 20 0 BCADHN Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2C)nn1 ZINC000928432561 711772153 /nfs/dbraw/zinc/77/21/53/711772153.db2.gz QQWDPDPUABKAJD-ZJUUUORDSA-N 0 3 234.303 0.607 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@@H](C(C)(C)O)C1 ZINC000721830522 711778194 /nfs/dbraw/zinc/77/81/94/711778194.db2.gz CLVOSMUGPYJDTO-NXEZZACHSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@H](NCC1(C)CC1)C1N=NC(=O)N1C ZINC000895175496 711779575 /nfs/dbraw/zinc/77/95/75/711779575.db2.gz MSENQVWDXUKRGQ-ZETCQYMHSA-N 0 3 210.281 0.971 20 0 BCADHN CCCn1nccc1CNC[C@H]1COCCO1 ZINC000160109818 711805844 /nfs/dbraw/zinc/80/58/44/711805844.db2.gz DWJCHMXEIITGDN-LBPRGKRZSA-N 0 3 239.319 0.798 20 0 BCADHN CCCN1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 ZINC001076754262 711808416 /nfs/dbraw/zinc/80/84/16/711808416.db2.gz IRGIYBTXYMDCCB-NXEZZACHSA-N 0 3 214.309 0.214 20 0 BCADHN Cc1cc(N2CC[C@H](C(C)(C)O)C2)nc(N)n1 ZINC000721885744 711811376 /nfs/dbraw/zinc/81/13/76/711811376.db2.gz GNTIRBZKAIIAGD-VIFPVBQESA-N 0 3 236.319 0.964 20 0 BCADHN C[C@@H]1C[C@H](N2C(=O)N[C@@H](C)C2=O)CN1C1CC1 ZINC000348959412 711821476 /nfs/dbraw/zinc/82/14/76/711821476.db2.gz JGANBTCYGRJDKB-WEDXCCLWSA-N 0 3 237.303 0.552 20 0 BCADHN C[C@H]1NC(=O)N([C@@H]2C[C@@H](C)N(C3CC3)C2)C1=O ZINC000348957275 711821547 /nfs/dbraw/zinc/82/15/47/711821547.db2.gz JGANBTCYGRJDKB-NQMVMOMDSA-N 0 3 237.303 0.552 20 0 BCADHN CC(C)CN1CC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001038072790 711886257 /nfs/dbraw/zinc/88/62/57/711886257.db2.gz SVGBYGMTAQDWGU-LLVKDONJSA-N 0 3 236.319 0.870 20 0 BCADHN CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnoc1 ZINC001032582677 711927242 /nfs/dbraw/zinc/92/72/42/711927242.db2.gz KEPPOKYPVQPFOU-RYUDHWBXSA-N 0 3 249.314 0.912 20 0 BCADHN CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnc[nH]1 ZINC001032651051 711931765 /nfs/dbraw/zinc/93/17/65/711931765.db2.gz GWUAPGXENHRPDN-RYUDHWBXSA-N 0 3 248.330 0.647 20 0 BCADHN CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1 ZINC001032814543 711944193 /nfs/dbraw/zinc/94/41/93/711944193.db2.gz BHRJTDBVJSDZJP-RYUDHWBXSA-N 0 3 248.330 0.577 20 0 BCADHN CC(=O)N1C[C@@H](C)[C@@H](NCc2cnc(C)nc2)C1 ZINC001054303862 711946015 /nfs/dbraw/zinc/94/60/15/711946015.db2.gz SNZQWJKQKWYDBO-RNCFNFMXSA-N 0 3 248.330 0.741 20 0 BCADHN C[C@@H]1CN(C(=O)C(F)F)C[C@@H]1NCCF ZINC001054308934 711946170 /nfs/dbraw/zinc/94/61/70/711946170.db2.gz OUBRLSREMQHMNM-RQJHMYQMSA-N 0 3 224.226 0.658 20 0 BCADHN C[C@H]1CN(C(=O)C(F)F)C[C@H]1NCCF ZINC001054308932 711946289 /nfs/dbraw/zinc/94/62/89/711946289.db2.gz OUBRLSREMQHMNM-NKWVEPMBSA-N 0 3 224.226 0.658 20 0 BCADHN CN(C(=O)C(C)(C)F)[C@H]1CCN(CCCO)C1 ZINC001032857270 711965138 /nfs/dbraw/zinc/96/51/38/711965138.db2.gz SOJVPBOZDFBTFO-JTQLQIEISA-N 0 3 246.326 0.650 20 0 BCADHN CC(C)C(=O)N(C)[C@@H]1CCN(C[C@H](C)O)C1 ZINC001032918011 711967884 /nfs/dbraw/zinc/96/78/84/711967884.db2.gz JNOXDJDUEKXISZ-WDEREUQCSA-N 0 3 228.336 0.556 20 0 BCADHN COCCN1CC[C@@H](N(C)C(=O)C(C)C)C1 ZINC001032914793 711968120 /nfs/dbraw/zinc/96/81/20/711968120.db2.gz HNAXVZCUAQWLEJ-LLVKDONJSA-N 0 3 228.336 0.822 20 0 BCADHN CN(C(=O)[C@H]1CC1(C)C)[C@H]1CCN(CCO)C1 ZINC001033016529 711970630 /nfs/dbraw/zinc/97/06/30/711970630.db2.gz CBASTKVHVRXAPO-WDEREUQCSA-N 0 3 240.347 0.558 20 0 BCADHN CN(C(=O)[C@H]1CC1(C)C)[C@@H]1CCN(CCO)C1 ZINC001033016516 711971126 /nfs/dbraw/zinc/97/11/26/711971126.db2.gz CBASTKVHVRXAPO-GHMZBOCLSA-N 0 3 240.347 0.558 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2cn(C)cn2)C1 ZINC001033002667 711971159 /nfs/dbraw/zinc/97/11/59/711971159.db2.gz VFQRFTBZZDDPCQ-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCCC(=O)[C@H]1C ZINC000922481200 711972262 /nfs/dbraw/zinc/97/22/62/711972262.db2.gz QSGUUBLJVRUSFR-VHSXEESVSA-N 0 3 241.335 0.700 20 0 BCADHN CN(C(=O)[C@H]1CC1(F)F)[C@@H]1CCN(CCO)C1 ZINC001033056952 711972717 /nfs/dbraw/zinc/97/27/17/711972717.db2.gz HIPQWUHORTUTIQ-RKDXNWHRSA-N 0 3 248.273 0.167 20 0 BCADHN O=C(NC[C@H]1CCN1CC1CC1)[C@H]1CCOC1 ZINC001038093578 711978666 /nfs/dbraw/zinc/97/86/66/711978666.db2.gz AAVWFVKPRDZTCQ-NWDGAFQWSA-N 0 3 238.331 0.623 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001033330101 711983678 /nfs/dbraw/zinc/98/36/78/711983678.db2.gz DEICVDKMXNLFMF-DCAQKATOSA-N 0 3 226.320 0.167 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)[C@@]2(F)CCOC2)C1 ZINC001033367562 711987567 /nfs/dbraw/zinc/98/75/67/711987567.db2.gz GRGJTFFQLJMLGS-CMPLNLGQSA-N 0 3 244.310 0.668 20 0 BCADHN Cc1cc(N2CC[C@H](C)[C@@H](CO)C2)nc(N)n1 ZINC000700450828 711995071 /nfs/dbraw/zinc/99/50/71/711995071.db2.gz IEFQCKJATFVOSJ-WCBMZHEXSA-N 0 3 236.319 0.822 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC001033535656 712003610 /nfs/dbraw/zinc/00/36/10/712003610.db2.gz HYZSRIUIARQNLP-AAEUAGOBSA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@@H](CN)C(=O)NC(C)(C1CC1)C1CC1 ZINC000700830782 712007704 /nfs/dbraw/zinc/00/77/04/712007704.db2.gz JXWPMATZCZAPJX-JTQLQIEISA-N 0 3 226.320 0.655 20 0 BCADHN CCCCCC(=O)N(C)CCN(C)CCO ZINC000701014178 712011871 /nfs/dbraw/zinc/01/18/71/712011871.db2.gz LWERAPGCOKWIGT-UHFFFAOYSA-N 0 3 230.352 0.949 20 0 BCADHN CCN(C(=O)C1CC1)[C@H]1CCN(C[C@H](C)O)C1 ZINC001033718474 712016580 /nfs/dbraw/zinc/01/65/80/712016580.db2.gz IILUAGQHUPCKCL-JQWIXIFHSA-N 0 3 240.347 0.700 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2nccnc2N)C1 ZINC000701165299 712017257 /nfs/dbraw/zinc/01/72/57/712017257.db2.gz FJERTUQBHBGTQF-SECBINFHSA-N 0 3 249.318 0.225 20 0 BCADHN CCS(=O)(=O)CCNC[C@@H]1CCC[C@@H](C)O1 ZINC000701492565 712025179 /nfs/dbraw/zinc/02/51/79/712025179.db2.gz GKUSRGMSSYZFJF-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN CCO[C@H]1CCN([C@H](CC)C(N)=O)C1 ZINC000701707035 712027143 /nfs/dbraw/zinc/02/71/43/712027143.db2.gz PNUGOJWJKKFBRE-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN CCN(C(=O)[C@H]1C[C@@H]1C)[C@H]1CCN(CCO)C1 ZINC001033919622 712027961 /nfs/dbraw/zinc/02/79/61/712027961.db2.gz MPTOSNWFUBGQEW-SRVKXCTJSA-N 0 3 240.347 0.558 20 0 BCADHN CCOC(=O)COCCN1CC[C@H](OCC)C1 ZINC000701833175 712030028 /nfs/dbraw/zinc/03/00/28/712030028.db2.gz LRECDVWMHRCIDC-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)CN(C)C)C1CCCCC1 ZINC000702343371 712045743 /nfs/dbraw/zinc/04/57/43/712045743.db2.gz XSUMKNHFWLLUEL-PWSUYJOCSA-N 0 3 241.379 0.960 20 0 BCADHN CC[C@@](C)(NC(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000702352183 712046282 /nfs/dbraw/zinc/04/62/82/712046282.db2.gz QQDMPFFZICDDGE-CMPLNLGQSA-N 0 3 227.352 0.570 20 0 BCADHN CSC[C@@H]1CCCN1C(=O)[C@@H](N)CN(C)C ZINC000702397657 712048456 /nfs/dbraw/zinc/04/84/56/712048456.db2.gz QMDMFVCYAGLYIO-UWVGGRQHSA-N 0 3 245.392 0.229 20 0 BCADHN C[C@H](N(C)C(=O)[C@@H](N)CN(C)C)C(C)(C)C ZINC000702368364 712048703 /nfs/dbraw/zinc/04/87/03/712048703.db2.gz HTKYLCQQSOSYMA-UWVGGRQHSA-N 0 3 229.368 0.768 20 0 BCADHN N[C@H](C(=O)NCc1ncccn1)C1CCC1 ZINC000702382600 712049045 /nfs/dbraw/zinc/04/90/45/712049045.db2.gz COOYTKSBARWNPI-JTQLQIEISA-N 0 3 220.276 0.220 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)C1CCCC1 ZINC000702383440 712049124 /nfs/dbraw/zinc/04/91/24/712049124.db2.gz FZYHASNXZOSFQM-JTQLQIEISA-N 0 3 213.325 0.276 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC[C@H](CCF)C1 ZINC000702391725 712050123 /nfs/dbraw/zinc/05/01/23/712050123.db2.gz PGWZSYDCZNCGJD-MNOVXSKESA-N 0 3 245.342 0.474 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@]1(C)CCCS1 ZINC000702395876 712050131 /nfs/dbraw/zinc/05/01/31/712050131.db2.gz YOYJLMBGSBGECF-ONGXEEELSA-N 0 3 245.392 0.277 20 0 BCADHN CC[C@H](C)[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702399958 712050438 /nfs/dbraw/zinc/05/04/38/712050438.db2.gz DHDMNRUBDSGVGL-AEJSXWLSSA-N 0 3 215.341 0.426 20 0 BCADHN CCC(CC)CNC(=O)[C@@H](N)CN(C)C ZINC000702402529 712050895 /nfs/dbraw/zinc/05/08/95/712050895.db2.gz SPBUPYNXVJTVHF-JTQLQIEISA-N 0 3 215.341 0.428 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccc(Cl)nc1 ZINC000702413260 712051344 /nfs/dbraw/zinc/05/13/44/712051344.db2.gz GHSWHUYJBITKBF-QMMMGPOBSA-N 0 3 242.710 0.562 20 0 BCADHN CCOC[C@H](NC(=O)[C@@H](N)CN(C)C)C(C)C ZINC000702415592 712051386 /nfs/dbraw/zinc/05/13/86/712051386.db2.gz CHQFRQIPODMNLP-QWRGUYRKSA-N 0 3 245.367 0.053 20 0 BCADHN Cc1ccc(N(C)C(=O)[C@@H](N)CN(C)C)cc1 ZINC000702416790 712051616 /nfs/dbraw/zinc/05/16/16/712051616.db2.gz IBEVQPKBPDINDQ-LBPRGKRZSA-N 0 3 235.331 0.847 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@]1(C)CC1(C)C ZINC000702412259 712051771 /nfs/dbraw/zinc/05/17/71/712051771.db2.gz YDAUROXQLPCALH-OIBJUYFYSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@@H](CNC(=O)[C@@H](N)CN(C)C)CC(F)F ZINC000702423750 712052207 /nfs/dbraw/zinc/05/22/07/712052207.db2.gz JOAYHFBZPDRXQL-SFYZADRCSA-N 0 3 237.294 0.283 20 0 BCADHN CO[C@@](C)(CO)CN[C@@H]1CCCc2n[nH]cc21 ZINC000702531757 712055120 /nfs/dbraw/zinc/05/51/20/712055120.db2.gz LKQGVFKICDKZJJ-ZYHUDNBSSA-N 0 3 239.319 0.774 20 0 BCADHN Cc1cc(N[C@H](CO)C(C)C)nc(N)n1 ZINC000086831369 712086644 /nfs/dbraw/zinc/08/66/44/712086644.db2.gz YSYLOWFVXPSKHC-MRVPVSSYSA-N 0 3 210.281 0.796 20 0 BCADHN CN(Cc1ccc(N)nn1)[C@H](CO)C(C)(C)C ZINC000703917289 712094199 /nfs/dbraw/zinc/09/41/99/712094199.db2.gz LWMNEAUAAZQXIX-SNVBAGLBSA-N 0 3 238.335 0.898 20 0 BCADHN CC(C)N(CCO)Cc1ccc(N)nn1 ZINC000703962177 712096618 /nfs/dbraw/zinc/09/66/18/712096618.db2.gz DHXAUYJYUXRZGY-UHFFFAOYSA-N 0 3 210.281 0.262 20 0 BCADHN CNC(=O)[C@]1(C)CCN(Cc2ccc(N)nn2)C1 ZINC000703967076 712096841 /nfs/dbraw/zinc/09/68/41/712096841.db2.gz FQBXPGKRTHZLHD-GFCCVEGCSA-N 0 3 249.318 0.017 20 0 BCADHN Nc1ccc(CN2CCC[C@H]2CCCO)nn1 ZINC000703964942 712097500 /nfs/dbraw/zinc/09/75/00/712097500.db2.gz OVVQAMOMFWZVKB-NSHDSACASA-N 0 3 236.319 0.796 20 0 BCADHN CN1CCC[C@@H](NC[C@@H](O)c2ccccc2)C1=O ZINC000704310202 712103691 /nfs/dbraw/zinc/10/36/91/712103691.db2.gz MLPUUWILNNBKLI-CHWSQXEVSA-N 0 3 248.326 0.930 20 0 BCADHN COC1(OC)CCOC[C@@H]1NCCSC ZINC000704745449 712114823 /nfs/dbraw/zinc/11/48/23/712114823.db2.gz FRAUHGLVPDIEKT-VIFPVBQESA-N 0 3 235.349 0.717 20 0 BCADHN CC(C)C[C@H](O)CNC(=O)C(N)C(F)(F)F ZINC000705251518 712126586 /nfs/dbraw/zinc/12/65/86/712126586.db2.gz LZXJKUPLJBVKLJ-BQBZGAKWSA-N 0 3 242.241 0.399 20 0 BCADHN OC[C@H]1CN(C/C=C/Cl)C[C@H]1CO ZINC000705291388 712127634 /nfs/dbraw/zinc/12/76/34/712127634.db2.gz LXZDMSGFQXTRRI-YLSDFIPESA-N 0 3 205.685 0.272 20 0 BCADHN CCCCN(C)C(=O)[C@@H](N)CN(C)C ZINC000705316981 712128527 /nfs/dbraw/zinc/12/85/27/712128527.db2.gz LXPGPELGJRPDRT-VIFPVBQESA-N 0 3 201.314 0.134 20 0 BCADHN CCC(C)(CC)NC(=O)[C@@H](N)CN(C)C ZINC000705341599 712129277 /nfs/dbraw/zinc/12/92/77/712129277.db2.gz BBZSHTKDJWKAJJ-VIFPVBQESA-N 0 3 215.341 0.570 20 0 BCADHN NC(C(=O)N[C@@H]1C=CCC1)C(F)(F)F ZINC000705540783 712132814 /nfs/dbraw/zinc/13/28/14/712132814.db2.gz TXFYBYCGKVZBRC-RITPCOANSA-N 0 3 208.183 0.711 20 0 BCADHN CN1C[C@]2(C)CN(S(C)(=O)=O)C[C@@]2(C)C1 ZINC000706278199 712142777 /nfs/dbraw/zinc/14/27/77/712142777.db2.gz SWSLSDUPGZMDKL-NXEZZACHSA-N 0 3 232.349 0.220 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@H]1CCCC12CC2 ZINC000706280458 712144048 /nfs/dbraw/zinc/14/40/48/712144048.db2.gz YVNLKGJAEPQANY-ZJUUUORDSA-N 0 3 226.320 0.657 20 0 BCADHN O[C@@H]1COCC[C@H]1N[C@H]1CCc2cccnc21 ZINC000706765914 712154789 /nfs/dbraw/zinc/15/47/89/712154789.db2.gz BHARHVDMUDBTRE-GRYCIOLGSA-N 0 3 234.299 0.808 20 0 BCADHN CON(C)C(=O)CNC1CC(SC)C1 ZINC000706802949 712155911 /nfs/dbraw/zinc/15/59/11/712155911.db2.gz GGKCPIFIKRLCGI-UHFFFAOYSA-N 0 3 218.322 0.490 20 0 BCADHN COC(=O)CCCCN1CCC2(C1)OCCO2 ZINC000707519169 712171970 /nfs/dbraw/zinc/17/19/70/712171970.db2.gz POBXTNREKYGGDH-UHFFFAOYSA-N 0 3 243.303 0.779 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NC[C@@H]1COCCO1 ZINC000707708856 712177004 /nfs/dbraw/zinc/17/70/04/712177004.db2.gz VTHGMGLEZJAOSD-MNOVXSKESA-N 0 3 244.335 0.282 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@H]1CC(C)(C)CO1 ZINC000708357357 712190647 /nfs/dbraw/zinc/19/06/47/712190647.db2.gz ZCZVPHHUYZZYJL-VHSXEESVSA-N 0 3 249.376 0.824 20 0 BCADHN CCS(=O)(=O)CCNC[C@H]1CC(C)(C)CO1 ZINC000708357306 712190653 /nfs/dbraw/zinc/19/06/53/712190653.db2.gz XXPUKGZAHXYNAN-SNVBAGLBSA-N 0 3 249.376 0.826 20 0 BCADHN Cc1ccnc(CN2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000708645064 712196495 /nfs/dbraw/zinc/19/64/95/712196495.db2.gz QNEFNNSMJIVSKA-NWDGAFQWSA-N 0 3 248.330 0.036 20 0 BCADHN CCN1C[C@@H](CN2CCC(CO)CC2)OC1=O ZINC000709815431 712227945 /nfs/dbraw/zinc/22/79/45/712227945.db2.gz PTBLHZXYNCAQOI-LLVKDONJSA-N 0 3 242.319 0.531 20 0 BCADHN COCC[C@@](C)(O)CN[C@H](C)c1cn(C)cn1 ZINC000709918753 712232470 /nfs/dbraw/zinc/23/24/70/712232470.db2.gz HNBCFQQXYAJFHS-ZYHUDNBSSA-N 0 3 241.335 0.858 20 0 BCADHN Cc1n[nH]c(CCN[C@H](C)c2cn(C)cn2)n1 ZINC000709947405 712234272 /nfs/dbraw/zinc/23/42/72/712234272.db2.gz DSMNCSNJBXZMBY-MRVPVSSYSA-N 0 3 234.307 0.740 20 0 BCADHN Cn1c(Cl)ncc1CNCCCO ZINC000710254581 712249831 /nfs/dbraw/zinc/24/98/31/712249831.db2.gz ZXACENUKPAOWCR-UHFFFAOYSA-N 0 3 203.673 0.546 20 0 BCADHN COC1(OC)CC[C@H]1NC[C@@H]1COCCO1 ZINC000710960046 712268361 /nfs/dbraw/zinc/26/83/61/712268361.db2.gz LZSJDKVELVOPHO-NXEZZACHSA-N 0 3 231.292 0.143 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@H]1COC[C@H]1C ZINC000711085879 712279393 /nfs/dbraw/zinc/27/93/93/712279393.db2.gz UQIRAPJXXYCTQU-VWYCJHECSA-N 0 3 228.336 0.772 20 0 BCADHN CCNC(=O)CN[C@H]1COC2(CCC2)C1 ZINC000711157007 712286784 /nfs/dbraw/zinc/28/67/84/712286784.db2.gz RROMXWFLWQINGO-SECBINFHSA-N 0 3 212.293 0.424 20 0 BCADHN CCNC(=O)CN[C@@H]1COC2(CCC2)C1 ZINC000711157011 712287023 /nfs/dbraw/zinc/28/70/23/712287023.db2.gz RROMXWFLWQINGO-VIFPVBQESA-N 0 3 212.293 0.424 20 0 BCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1nnc[nH]1 ZINC000923262114 712308945 /nfs/dbraw/zinc/30/89/45/712308945.db2.gz JWPXRCFBQPZPIS-VHSXEESVSA-N 0 3 249.318 0.042 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CS(=O)(=O)C[C@@H]2C)CO1 ZINC000711659680 712314938 /nfs/dbraw/zinc/31/49/38/712314938.db2.gz FFWROHIUJMLMPD-QCLAVDOMSA-N 0 3 233.333 0.187 20 0 BCADHN C[C@H](N)C(=O)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC000711858644 712335755 /nfs/dbraw/zinc/33/57/55/712335755.db2.gz RVVXWGILAFKZLZ-INTQDDNPSA-N 0 3 226.320 0.655 20 0 BCADHN O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@@H]1CNCCO1 ZINC000711950070 712339196 /nfs/dbraw/zinc/33/91/96/712339196.db2.gz NWJJUVUMBZIPQF-SRVKXCTJSA-N 0 3 238.331 0.527 20 0 BCADHN CC(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1C ZINC001079328927 712347087 /nfs/dbraw/zinc/34/70/87/712347087.db2.gz SSQZEBCKNMJCBS-ZYHUDNBSSA-N 0 3 236.319 0.340 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2cncnc2C)C1 ZINC001079453238 712348714 /nfs/dbraw/zinc/34/87/14/712348714.db2.gz FLHBWINGPQOEOI-BXKDBHETSA-N 0 3 248.330 0.855 20 0 BCADHN C[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C)C1 ZINC001080827685 712353962 /nfs/dbraw/zinc/35/39/62/712353962.db2.gz ONMDYLAYFNKLDJ-OUAUKWLOSA-N 0 3 242.363 0.850 20 0 BCADHN CCC[C@@H](CNc1cc(C)nc(N)n1)OC ZINC000378791121 712361873 /nfs/dbraw/zinc/36/18/73/712361873.db2.gz QOVLNBXVCUKLOP-VIFPVBQESA-N 0 3 224.308 0.846 20 0 BCADHN OCc1cnccc1N1CCC[C@@H](O)CC1 ZINC000378809435 712362352 /nfs/dbraw/zinc/36/23/52/712362352.db2.gz ZBURMGUJGIPCGM-LLVKDONJSA-N 0 3 222.288 0.925 20 0 BCADHN C[C@H](NCCS(C)(=O)=O)[C@H]1CCCCO1 ZINC000379269686 712371889 /nfs/dbraw/zinc/37/18/89/712371889.db2.gz UQQWFOTVCCGORA-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CC(C)NC(=O)CN(C)C[C@@H]1C[C@@]12CCOC2 ZINC000885946938 712379718 /nfs/dbraw/zinc/37/97/18/712379718.db2.gz VOZHEBYIWBSBPO-WCQYABFASA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2cnsn2)C1 ZINC000744798558 712404274 /nfs/dbraw/zinc/40/42/74/712404274.db2.gz LHXVGTJKQABOKK-QMMMGPOBSA-N 0 3 240.332 0.610 20 0 BCADHN OCCN(CCO)C[C@@H]1CCC2(CCC2)O1 ZINC000712499081 712431585 /nfs/dbraw/zinc/43/15/85/712431585.db2.gz VEGRUKBGTLFFII-NSHDSACASA-N 0 3 229.320 0.375 20 0 BCADHN OCCN(CCn1cnnn1)Cc1ccccc1 ZINC000712593773 712435265 /nfs/dbraw/zinc/43/52/65/712435265.db2.gz IKZRKMPSXBTHOZ-UHFFFAOYSA-N 0 3 247.302 0.168 20 0 BCADHN COc1ncc(CNC[C@H]2CCN2C)s1 ZINC000712531467 712441732 /nfs/dbraw/zinc/44/17/32/712441732.db2.gz KXDMSXMZGREGCH-MRVPVSSYSA-N 0 3 227.333 0.945 20 0 BCADHN C[C@]1(C(F)(F)F)CN(C(=O)CN)CCO1 ZINC000712726842 712448838 /nfs/dbraw/zinc/44/88/38/712448838.db2.gz OQBOTXZIYDOIIZ-SSDOTTSWSA-N 0 3 226.198 0.125 20 0 BCADHN CCCn1cc(CN[C@H]2CCN(C)C2)nn1 ZINC000714476645 712491645 /nfs/dbraw/zinc/49/16/45/712491645.db2.gz LVABFYXUXZADRA-JTQLQIEISA-N 0 3 223.324 0.482 20 0 BCADHN CCCn1cc(CNCCN2CCCC2)nn1 ZINC000714516357 712493512 /nfs/dbraw/zinc/49/35/12/712493512.db2.gz UVJMNQUUUHTNPN-UHFFFAOYSA-N 0 3 237.351 0.874 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000036810655 712498414 /nfs/dbraw/zinc/49/84/14/712498414.db2.gz RPLUJJZUUVZUHQ-JTQLQIEISA-N 0 3 248.286 0.778 20 0 BCADHN CC(C)NC(=O)[C@@H](C)NC[C@H]1COC(C)(C)O1 ZINC000715121809 712510616 /nfs/dbraw/zinc/51/06/16/712510616.db2.gz LJENIDCKRLWDOH-ZJUUUORDSA-N 0 3 244.335 0.641 20 0 BCADHN CC1(C)OC[C@H](CNCC(=O)NCC2CC2)O1 ZINC000715146825 712512473 /nfs/dbraw/zinc/51/24/73/712512473.db2.gz YYRZIEHMNBPUMA-JTQLQIEISA-N 0 3 242.319 0.254 20 0 BCADHN CS(=O)(=O)C1CC(NC/C=C/Cl)C1 ZINC000715239310 712513971 /nfs/dbraw/zinc/51/39/71/712513971.db2.gz LZQVLCYZLVRTJP-NSCUHMNNSA-N 0 3 223.725 0.904 20 0 BCADHN C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C(=O)[O-] ZINC000715272397 712515274 /nfs/dbraw/zinc/51/52/74/712515274.db2.gz SXLNFLTWCOLFPS-AEJSXWLSSA-N 0 3 214.309 0.922 20 0 BCADHN C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C(=O)[O-] ZINC000715272400 712515300 /nfs/dbraw/zinc/51/53/00/712515300.db2.gz SXLNFLTWCOLFPS-GUBZILKMSA-N 0 3 214.309 0.922 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715483383 712520671 /nfs/dbraw/zinc/52/06/71/712520671.db2.gz ZMOUIRDHCUZDCU-DSYKOEDSSA-N 0 3 204.220 0.447 20 0 BCADHN COCCN(CCO)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715539391 712526685 /nfs/dbraw/zinc/52/66/85/712526685.db2.gz RIIHKPAZOYTHFA-OLZOCXBDSA-N 0 3 243.347 0.885 20 0 BCADHN COC(=O)c1cc(NC(=O)[C@H](C)N)ccc1F ZINC000037028444 712530341 /nfs/dbraw/zinc/53/03/41/712530341.db2.gz XBRSMAYCVUJVTO-LURJTMIESA-N 0 3 240.234 0.898 20 0 BCADHN COCCN(C)CCN[C@H](C)c1cn(C)nn1 ZINC000715837217 712535400 /nfs/dbraw/zinc/53/54/00/712535400.db2.gz NDWRNWHXHYPUFO-SNVBAGLBSA-N 0 3 241.339 0.044 20 0 BCADHN COCCNCC(=O)NCCCCC1CC1 ZINC000716351323 712555818 /nfs/dbraw/zinc/55/58/18/712555818.db2.gz PRBIKEJMWXADOP-UHFFFAOYSA-N 0 3 228.336 0.919 20 0 BCADHN CC/C=C(\C)C(=O)N[C@H](CO)CN(C)C ZINC000716786215 712573641 /nfs/dbraw/zinc/57/36/41/712573641.db2.gz NUBBYILTVREYBY-ZKXNXJMVSA-N 0 3 214.309 0.381 20 0 BCADHN COC[C@@](C)(CO)NC/C=C(/C)C(=O)OC ZINC000716801107 712574913 /nfs/dbraw/zinc/57/49/13/712574913.db2.gz CXXIFRWXOKDYSL-YOOZJCNJSA-N 0 3 231.292 0.093 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@]12C[C@H]1CCCC2 ZINC000716677407 712569322 /nfs/dbraw/zinc/56/93/22/712569322.db2.gz BGFKUTDOLNEUKO-NQBHXWOUSA-N 0 3 240.347 0.605 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)C1CC(C)(C)C1 ZINC000716706148 712570460 /nfs/dbraw/zinc/57/04/60/712570460.db2.gz XXEJRAVPKACBTE-JTQLQIEISA-N 0 3 228.336 0.461 20 0 BCADHN Cc1cnc(C)c(N[C@H](CO)CN(C)C)n1 ZINC000716735239 712571546 /nfs/dbraw/zinc/57/15/46/712571546.db2.gz LNTHLOCILANAPY-JTQLQIEISA-N 0 3 224.308 0.428 20 0 BCADHN CCC(=O)CNC(=O)C1CCN(C)CC1 ZINC000716767999 712572765 /nfs/dbraw/zinc/57/27/65/712572765.db2.gz ZIFUQZCORFJSMZ-UHFFFAOYSA-N 0 3 212.293 0.424 20 0 BCADHN CCS(=O)(=O)CCNC[C@H]1CCCO1 ZINC000037370971 712577818 /nfs/dbraw/zinc/57/78/18/712577818.db2.gz ZYLHQHZHYQQFGW-SECBINFHSA-N 0 3 221.322 0.190 20 0 BCADHN COC[C@](C)(CO)NC[C@H](O)c1ccccc1 ZINC000716882544 712580251 /nfs/dbraw/zinc/58/02/51/712580251.db2.gz BGOOZHDCKPSBEY-STQMWFEESA-N 0 3 239.315 0.707 20 0 BCADHN Cn1cnc(CNC[C@@H]2CC[C@@H](O)C2)c1 ZINC000379835099 712615408 /nfs/dbraw/zinc/61/54/08/712615408.db2.gz FAANNIYYDXWYMX-MWLCHTKSSA-N 0 3 209.293 0.671 20 0 BCADHN CC/C=C(\F)C(=O)N[C@@H](CO)CN(C)C ZINC000868345319 712622221 /nfs/dbraw/zinc/62/22/21/712622221.db2.gz GHXZXRIABIZZKZ-CPJBWDMUSA-N 0 3 218.272 0.289 20 0 BCADHN CO[C@H](C)CN1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880523710 712633537 /nfs/dbraw/zinc/63/35/37/712633537.db2.gz KQCHVYWNUXNSFO-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1n[nH]c2ccccc12 ZINC000717388009 712653158 /nfs/dbraw/zinc/65/31/58/712653158.db2.gz OKQKXEQWEGKAGJ-PRHODGIISA-N 0 3 235.287 0.394 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1[nH]nc2ccccc21 ZINC000717388009 712653159 /nfs/dbraw/zinc/65/31/59/712653159.db2.gz OKQKXEQWEGKAGJ-PRHODGIISA-N 0 3 235.287 0.394 20 0 BCADHN Cc1ncncc1[C@@H](C)NCCN1CCNC1=O ZINC000886744995 712657485 /nfs/dbraw/zinc/65/74/85/712657485.db2.gz LNIGBDDHAOGHFF-SECBINFHSA-N 0 3 249.318 0.461 20 0 BCADHN OCC1(CNCc2ccc(Cl)cn2)COC1 ZINC000717633254 712661929 /nfs/dbraw/zinc/66/19/29/712661929.db2.gz STZOPLXTUCQOGP-UHFFFAOYSA-N 0 3 242.706 0.834 20 0 BCADHN COCCNCC(=O)NC[C@H]1CC(C)(C)CO1 ZINC000717650460 712663169 /nfs/dbraw/zinc/66/31/69/712663169.db2.gz JLWFSZUPUKOWRK-SNVBAGLBSA-N 0 3 244.335 0.154 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@@H](CO)CC(F)F ZINC000717707964 712664207 /nfs/dbraw/zinc/66/42/07/712664207.db2.gz PHSITLDPJPEZSI-SFYZADRCSA-N 0 3 239.262 0.744 20 0 BCADHN C[C@]1(NCCN2CCCC2)CCOC1=O ZINC000380064774 712684443 /nfs/dbraw/zinc/68/44/43/712684443.db2.gz BSXYXRJWJZXNIG-NSHDSACASA-N 0 3 212.293 0.377 20 0 BCADHN Cn1cnc(CNCCC2CC(O)C2)c1 ZINC000380163262 712703199 /nfs/dbraw/zinc/70/31/99/712703199.db2.gz CJJAEYDZULJBDP-UHFFFAOYSA-N 0 3 209.293 0.671 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H]2C[C@H](C)CO2)CCN1 ZINC000718384738 712757963 /nfs/dbraw/zinc/75/79/63/712757963.db2.gz NFFHSFZAPPQWRW-QJPTWQEYSA-N 0 3 240.347 0.868 20 0 BCADHN Cc1coc(C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000718431125 712761248 /nfs/dbraw/zinc/76/12/48/712761248.db2.gz KLBGYQCDTNUKBM-LBPRGKRZSA-N 0 3 238.287 0.384 20 0 BCADHN CCCCN(CC(N)=O)C(=O)[C@@](C)(N)CCC ZINC000037812865 712762459 /nfs/dbraw/zinc/76/24/59/712762459.db2.gz INRIUCSHTBXVEO-LBPRGKRZSA-N 0 3 243.351 0.618 20 0 BCADHN C[C@H]1CO[C@H](C(=O)N2CCNCC2(C)C)C1 ZINC000718509771 712768245 /nfs/dbraw/zinc/76/82/45/712768245.db2.gz QOPMHFFPTRPKDN-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN CC(F)(F)CCCN1C[C@@H](O)[C@@H](O)C1 ZINC000718668935 712776667 /nfs/dbraw/zinc/77/66/67/712776667.db2.gz BBDJPEXYFOSREZ-OCAPTIKFSA-N 0 3 209.236 0.459 20 0 BCADHN COC(OC)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000718886915 712787759 /nfs/dbraw/zinc/78/77/59/712787759.db2.gz CJQYFSHJHNPOPI-ZJUUUORDSA-N 0 3 242.319 0.300 20 0 BCADHN CC[C@@H](N)C(=O)NCCC(C)(C)COC ZINC000718933403 712788744 /nfs/dbraw/zinc/78/87/44/712788744.db2.gz CZAVPGMCWIEUHA-SECBINFHSA-N 0 3 216.325 0.903 20 0 BCADHN Cn1cncc1CN1CC[C@H](C2OCCO2)C1 ZINC000719082466 712796433 /nfs/dbraw/zinc/79/64/33/712796433.db2.gz WFSLSBANDMOTMV-JTQLQIEISA-N 0 3 237.303 0.615 20 0 BCADHN c1nc2n(c1CNC[C@H]1COCCO1)CCC2 ZINC000719159494 712798864 /nfs/dbraw/zinc/79/88/64/712798864.db2.gz XAUWHXRXKCXGPK-NSHDSACASA-N 0 3 237.303 0.334 20 0 BCADHN C[C@@H]1COC[C@H]1NCc1cnc2n1CCC2 ZINC000719154039 712799057 /nfs/dbraw/zinc/79/90/57/712799057.db2.gz NQNVIFKCEWJYHK-MWLCHTKSSA-N 0 3 221.304 0.954 20 0 BCADHN C[C@H]1CN(C(=O)c2c(CN)cnn2C)C[C@@H]1C ZINC000719244396 712801200 /nfs/dbraw/zinc/80/12/00/712801200.db2.gz MDHUZSFAVOQMHQ-IUCAKERBSA-N 0 3 236.319 0.607 20 0 BCADHN CC[C@H](C)NC(=O)c1c(CN)cnn1C ZINC000719244086 712801630 /nfs/dbraw/zinc/80/16/30/712801630.db2.gz KDHFUAXLUNNDGD-ZETCQYMHSA-N 0 3 210.281 0.407 20 0 BCADHN C[C@H]1CCCN1C(=O)c1c(CN)cnn1C ZINC000719255494 712802159 /nfs/dbraw/zinc/80/21/59/712802159.db2.gz FTGALKRPPAQPRL-QMMMGPOBSA-N 0 3 222.292 0.503 20 0 BCADHN CN(CC(C)(C)C)C(=O)c1c(CN)cnn1C ZINC000719279485 712803128 /nfs/dbraw/zinc/80/31/28/712803128.db2.gz IJPMXPAYKSZFRG-UHFFFAOYSA-N 0 3 238.335 0.997 20 0 BCADHN Cn1ncc(CN)c1C(=O)NC1CC(C)(C)C1 ZINC000719304844 712804004 /nfs/dbraw/zinc/80/40/04/712804004.db2.gz UXNUGXXJLYDPJQ-UHFFFAOYSA-N 0 3 236.319 0.797 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)N[C@H]2CCOC2)CCN1C ZINC000719372658 712805710 /nfs/dbraw/zinc/80/57/10/712805710.db2.gz IAVGESRYGIXJLC-UTLUCORTSA-N 0 3 227.308 0.167 20 0 BCADHN CNc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2C)cn1 ZINC000719497431 712808789 /nfs/dbraw/zinc/80/87/89/712808789.db2.gz SSAQQEZGLXKXQU-ONGXEEELSA-N 0 3 248.330 0.946 20 0 BCADHN CNc1cnc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cn1 ZINC000719489190 712808957 /nfs/dbraw/zinc/80/89/57/712808957.db2.gz FWYQZGNZCULMNS-BDAKNGLRSA-N 0 3 249.318 0.341 20 0 BCADHN COc1cc(N[C@@H]2CCN(C)[C@H]2C)ncn1 ZINC000719571244 712811036 /nfs/dbraw/zinc/81/10/36/712811036.db2.gz RTAAGNWBRSXHEQ-DTWKUNHWSA-N 0 3 222.292 0.990 20 0 BCADHN CCCNC(=O)CN1CCC[C@H](C(C)(C)O)C1 ZINC000719639603 712814705 /nfs/dbraw/zinc/81/47/05/712814705.db2.gz CCIRXMTZGIWWLU-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)(O)[C@H]1CCCN(CC(=O)N2CCC2)C1 ZINC000719644338 712819671 /nfs/dbraw/zinc/81/96/71/712819671.db2.gz USGFVEUBHYSSCN-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN OC[C@@H]1CN(CCc2ccns2)CC[C@@H]1O ZINC000719874381 712824987 /nfs/dbraw/zinc/82/49/87/712824987.db2.gz PXMMKPMOXDKFTJ-ONGXEEELSA-N 0 3 242.344 0.361 20 0 BCADHN COC(CN1CCC[C@H](C(C)=O)C1)OC ZINC000722091548 712835219 /nfs/dbraw/zinc/83/52/19/712835219.db2.gz NEDPSQJFQRECJI-JTQLQIEISA-N 0 3 215.293 0.906 20 0 BCADHN CCOC(=O)COCCN1CCO[C@H](C)CC1 ZINC000720433091 712842186 /nfs/dbraw/zinc/84/21/86/712842186.db2.gz SCHFXVTXRZNZCO-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN Cc1cc(CN2CC[C@@H](CO)C2)c(C)nn1 ZINC000720582643 712854582 /nfs/dbraw/zinc/85/45/82/712854582.db2.gz NJNLARPMHXYOIZ-LLVKDONJSA-N 0 3 221.304 0.908 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720877435 712872441 /nfs/dbraw/zinc/87/24/41/712872441.db2.gz NHESLNFRHPCLTH-OUAUKWLOSA-N 0 3 226.320 0.716 20 0 BCADHN CCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720879175 712873294 /nfs/dbraw/zinc/87/32/94/712873294.db2.gz VNIZYTIPBLMDGN-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN O[C@@H](CNCc1cnc[nH]1)c1ccco1 ZINC000380307942 712873760 /nfs/dbraw/zinc/87/37/60/712873760.db2.gz GDYQATAOKOOMSI-VIFPVBQESA-N 0 3 207.233 0.826 20 0 BCADHN C[C@@H](NC[C@H]1C[C@@H](O)C1)c1cn(C)cn1 ZINC000720977845 712884739 /nfs/dbraw/zinc/88/47/39/712884739.db2.gz QJVQOOJQKWYHMX-BBBLOLIVSA-N 0 3 209.293 0.842 20 0 BCADHN C[C@H](NC[C@H]1C[C@@H](O)C1)c1cn(C)cn1 ZINC000720977846 712884932 /nfs/dbraw/zinc/88/49/32/712884932.db2.gz QJVQOOJQKWYHMX-LPEHRKFASA-N 0 3 209.293 0.842 20 0 BCADHN COCCC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000721057517 712888968 /nfs/dbraw/zinc/88/89/68/712888968.db2.gz PUJWWHBSZRSREO-CYBMUJFWSA-N 0 3 248.326 0.854 20 0 BCADHN COCCC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000721057531 712889046 /nfs/dbraw/zinc/88/90/46/712889046.db2.gz PUJWWHBSZRSREO-ZDUSSCGKSA-N 0 3 248.326 0.854 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCC3(C2)OCCO3)C1 ZINC000721124993 712892002 /nfs/dbraw/zinc/89/20/02/712892002.db2.gz GRANOFIJPJJNEB-PHIMTYICSA-N 0 3 227.304 0.860 20 0 BCADHN CC[C@H](CN1CC[C@H]1CNC(C)=O)OC ZINC001037980344 712896365 /nfs/dbraw/zinc/89/63/65/712896365.db2.gz KIJKJVGJPSZKPT-WDEREUQCSA-N 0 3 214.309 0.622 20 0 BCADHN CC(=O)NC[C@H]1CCN1CC[C@H]1CCOC1 ZINC001037987333 712896879 /nfs/dbraw/zinc/89/68/79/712896879.db2.gz OQXNIZSPNFVOOF-NWDGAFQWSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H]1CN(c2ccnc(N)n2)[C@@H](C)CN1C ZINC001120914529 719223846 /nfs/dbraw/zinc/22/38/46/719223846.db2.gz QSXIBHGBMBVBAV-IUCAKERBSA-N 0 3 221.308 0.588 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1c1cc(N)ncn1 ZINC001164634877 719230908 /nfs/dbraw/zinc/23/09/08/719230908.db2.gz HZOGHWZUNGHXHX-DTWKUNHWSA-N 0 3 221.308 0.588 20 0 BCADHN COC(=O)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC000602061409 349436496 /nfs/dbraw/zinc/43/64/96/349436496.db2.gz IGUFTXQRLSXWHR-VIFPVBQESA-N 0 3 244.335 0.642 20 0 BCADHN C[C@@H](C(N)=O)N1CC[C@H](N2CCCC2)C1 ZINC000061858214 398138699 /nfs/dbraw/zinc/13/86/99/398138699.db2.gz ZOJRUCLUPCZLBD-UWVGGRQHSA-N 0 3 211.309 0.030 20 0 BCADHN CN1CCCN(C(=O)CCc2ncc[nH]2)CC1 ZINC000408083831 136210398 /nfs/dbraw/zinc/21/03/98/136210398.db2.gz ZMCNYXQIPRXZLX-UHFFFAOYSA-N 0 3 236.319 0.506 20 0 BCADHN CN(CCNC(=O)N1CCC[C@H](O)C1)C1CC1 ZINC000408145685 136211007 /nfs/dbraw/zinc/21/10/07/136211007.db2.gz UJNCHTAJDCBLGT-NSHDSACASA-N 0 3 241.335 0.247 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CC[C@@H](C)[C@@H](O)C1 ZINC000093334575 343977506 /nfs/dbraw/zinc/97/75/06/343977506.db2.gz RGAMBMUZUHVACK-UTLUCORTSA-N 0 3 214.309 0.166 20 0 BCADHN C[C@@H](C[S@@](C)=O)NC(=O)C1(CN(C)C)CC1 ZINC000602129647 349457465 /nfs/dbraw/zinc/45/74/65/349457465.db2.gz GWCPIQBKDKQITM-XXFAHNHDSA-N 0 3 246.376 0.211 20 0 BCADHN CCO[C@H]1CCCN(C[C@H]2COCCO2)C1 ZINC000649318279 398142597 /nfs/dbraw/zinc/14/25/97/398142597.db2.gz NRKIMTBXJIGPDI-RYUDHWBXSA-N 0 3 229.320 0.903 20 0 BCADHN CCO[C@H]1CCCN(C[C@@H]2COCCO2)C1 ZINC000649318278 398142907 /nfs/dbraw/zinc/14/29/07/398142907.db2.gz NRKIMTBXJIGPDI-NWDGAFQWSA-N 0 3 229.320 0.903 20 0 BCADHN COC[C@]1(C(=O)Nc2ccncc2C)CCCN1 ZINC000649320712 398143923 /nfs/dbraw/zinc/14/39/23/398143923.db2.gz YHLCPLDBTONGBB-ZDUSSCGKSA-N 0 3 249.314 0.519 20 0 BCADHN Cc1ccc([O-])c(CN2CC(CC(N)=O)C2)n1 ZINC000297496345 398145618 /nfs/dbraw/zinc/14/56/18/398145618.db2.gz VOQJFIDNHUGMGX-UHFFFAOYSA-N 0 3 235.287 0.403 20 0 BCADHN Cc1ccc(O)c(CN2CC(CC(N)=O)C2)n1 ZINC000297496345 398145621 /nfs/dbraw/zinc/14/56/21/398145621.db2.gz VOQJFIDNHUGMGX-UHFFFAOYSA-N 0 3 235.287 0.403 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccnnc2)[C@H]1C ZINC000379442944 398145886 /nfs/dbraw/zinc/14/58/86/398145886.db2.gz AVMMGQADYXSOID-BDAKNGLRSA-N 0 3 220.276 0.299 20 0 BCADHN O=C(Nc1ccnc2ccnn21)[C@@]1(F)CCNC1 ZINC000155605958 136213278 /nfs/dbraw/zinc/21/32/78/136213278.db2.gz DVIDYEMENLBRCD-LLVKDONJSA-N 0 3 249.249 0.369 20 0 BCADHN NS(=O)(=O)CC1CCN(CC2CC2)CC1 ZINC000161606516 349484323 /nfs/dbraw/zinc/48/43/23/349484323.db2.gz RMEFBJLPBCEIHA-UHFFFAOYSA-N 0 3 232.349 0.397 20 0 BCADHN CN1CCCN(Cc2cncnc2)CC1 ZINC000269353813 538920098 /nfs/dbraw/zinc/92/00/98/538920098.db2.gz LHTREMSCGXZROM-UHFFFAOYSA-N 0 3 206.293 0.614 20 0 BCADHN C[C@@H](CCO)N(C)CCN1CCCC1=O ZINC000649867763 398149910 /nfs/dbraw/zinc/14/99/10/398149910.db2.gz RMMOLYVCNSJVAE-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN Cc1cc(CN2CC[C@@H](C)[C@@H]2CO)ncn1 ZINC000292823947 178001165 /nfs/dbraw/zinc/00/11/65/178001165.db2.gz MHBPXXCCXPYELQ-SKDRFNHKSA-N 0 3 221.304 0.988 20 0 BCADHN O[C@@H]1C[C@H](O)CN(C[C@H]2CCC(F)(F)C2)C1 ZINC000649334644 398150463 /nfs/dbraw/zinc/15/04/63/398150463.db2.gz RMCIQJIOWRLLCD-LPEHRKFASA-N 0 3 235.274 0.849 20 0 BCADHN Cc1c[nH]c(CN2CCO[C@H](CN(C)C)C2)n1 ZINC000628118560 398159228 /nfs/dbraw/zinc/15/92/28/398159228.db2.gz YCGCDSOZILGXKO-LLVKDONJSA-N 0 3 238.335 0.481 20 0 BCADHN Cc1cc(CN2C[C@@H](C)[C@H](C(N)=O)C2)on1 ZINC000286223846 178005193 /nfs/dbraw/zinc/00/51/93/178005193.db2.gz PFJFOWTWDCXWMK-GMSGAONNSA-N 0 3 223.276 0.536 20 0 BCADHN Cc1c(CN(C)[C@H](C)CCO)cnn1C ZINC000649868787 398152108 /nfs/dbraw/zinc/15/21/08/398152108.db2.gz NISQPVMTCVSWNK-SECBINFHSA-N 0 3 211.309 0.931 20 0 BCADHN CN(CCNC(=O)CCn1ccnc1)C1CC1 ZINC000299692198 398152390 /nfs/dbraw/zinc/15/23/90/398152390.db2.gz WJGNQYDBKNPBLC-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN CC(C)NC(=O)NCCN(C)[C@@H](C)CCO ZINC000649871202 398153436 /nfs/dbraw/zinc/15/34/36/398153436.db2.gz UZAVREQNMNWXFL-JTQLQIEISA-N 0 3 231.340 0.397 20 0 BCADHN Cc1cc(CNC(=O)CN(C)C(C)C)n(C)n1 ZINC000285602622 178011241 /nfs/dbraw/zinc/01/12/41/178011241.db2.gz FWOAFTVDZPSQKV-UHFFFAOYSA-N 0 3 238.335 0.685 20 0 BCADHN Cc1cc(CNC(=O)NCCN(C)C)n(C)n1 ZINC000287772751 178013177 /nfs/dbraw/zinc/01/31/77/178013177.db2.gz JUMWXSFYVYQVFA-UHFFFAOYSA-N 0 3 239.323 0.089 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](N)C(C)C)on1 ZINC000045006962 178014285 /nfs/dbraw/zinc/01/42/85/178014285.db2.gz KUQMULYMTSESMA-VIFPVBQESA-N 0 3 211.265 0.583 20 0 BCADHN COCC1(CN[C@H](C)C(N)=O)CCC1 ZINC000379606037 398157029 /nfs/dbraw/zinc/15/70/29/398157029.db2.gz QEGWGQCSOZGJJU-MRVPVSSYSA-N 0 3 200.282 0.267 20 0 BCADHN Cc1cc(CNCCN2CCCC2)nn1C ZINC000300972063 178021216 /nfs/dbraw/zinc/02/12/16/178021216.db2.gz XCASMJRKCKAWIT-UHFFFAOYSA-N 0 3 222.336 0.914 20 0 BCADHN Cc1cc(CNCCN2CCCC2)n(C)n1 ZINC000035404013 178021470 /nfs/dbraw/zinc/02/14/70/178021470.db2.gz KCBARVBAZFCEJE-UHFFFAOYSA-N 0 3 222.336 0.914 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccc2c(c1)CCO2 ZINC000258673460 349515597 /nfs/dbraw/zinc/51/55/97/349515597.db2.gz CKCPFWTUPLNTDN-MRVPVSSYSA-N 0 3 220.272 0.585 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCCC(=O)OC ZINC000040832178 398168746 /nfs/dbraw/zinc/16/87/46/398168746.db2.gz MCTKAZANLDQHJR-LLVKDONJSA-N 0 3 230.308 0.573 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCCC(C)(C)O ZINC000309106745 136217693 /nfs/dbraw/zinc/21/76/93/136217693.db2.gz IFIVZYZWRZIOFE-DTWKUNHWSA-N 0 3 214.309 0.262 20 0 BCADHN CN(C[C@@H]1CCCO1)C(=O)[C@H]1CCCCN1 ZINC000042465759 398171734 /nfs/dbraw/zinc/17/17/34/398171734.db2.gz YYICCSBGSHDSMX-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN Cc1cc(CN[C@@H]2CCO[C@H]2C)n(C)n1 ZINC000134546719 178035218 /nfs/dbraw/zinc/03/52/18/178035218.db2.gz UIWCHNOQYRPNKW-GXSJLCMTSA-N 0 3 209.293 0.996 20 0 BCADHN Cc1cc(CN[C@H](CO)C(C)C)ncn1 ZINC000293012299 178038286 /nfs/dbraw/zinc/03/82/86/178038286.db2.gz BUTCKTXXWMFGIU-LLVKDONJSA-N 0 3 209.293 0.892 20 0 BCADHN O=C(Cc1ccncc1)NC[C@@H]1C[C@H](F)CN1 ZINC000649362923 398174282 /nfs/dbraw/zinc/17/42/82/398174282.db2.gz HZTLQQRGLURMAY-QWRGUYRKSA-N 0 3 237.278 0.440 20 0 BCADHN C[C@@H](C(=O)N1CCN[C@@H](C)[C@@H]1C)n1cccn1 ZINC000277447366 398175050 /nfs/dbraw/zinc/17/50/50/398175050.db2.gz FTWXCKIPVDFEIR-DCAQKATOSA-N 0 3 236.319 0.653 20 0 BCADHN COc1cccc([C@H](CO)NC[C@H](C)O)c1 ZINC000390485661 398176221 /nfs/dbraw/zinc/17/62/21/398176221.db2.gz OONBBLKQODTTLI-CABZTGNLSA-N 0 3 225.288 0.699 20 0 BCADHN COc1ccnc(CNC(=O)[C@H](N)C(C)C)n1 ZINC000424207666 398177453 /nfs/dbraw/zinc/17/74/53/398177453.db2.gz JKSIITCFWYDSRX-SNVBAGLBSA-N 0 3 238.291 0.085 20 0 BCADHN CS(=O)(=O)C1(CN[C@@H]2CCOC2)CCC1 ZINC000309080230 136217494 /nfs/dbraw/zinc/21/74/94/136217494.db2.gz OLQQCZREBYIFMS-SECBINFHSA-N 0 3 233.333 0.332 20 0 BCADHN CC[C@H](CO)NC[C@@](C)(O)C(F)(F)F ZINC000379655859 398160680 /nfs/dbraw/zinc/16/06/80/398160680.db2.gz KKUBENNSPSLZMD-RNFRBKRXSA-N 0 3 215.215 0.660 20 0 BCADHN CN(CCC1CC1)C(=O)COC1(C)CNC1 ZINC000390167215 398165488 /nfs/dbraw/zinc/16/54/88/398165488.db2.gz FLWUVCQZUWWIAV-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CN(CCN1CCCCC1)CC(=O)N1CCC1 ZINC000649887315 398165518 /nfs/dbraw/zinc/16/55/18/398165518.db2.gz FRJAUXUFYPCHHT-UHFFFAOYSA-N 0 3 239.363 0.636 20 0 BCADHN CC(C)OCCN(C)C[C@H]1COCCO1 ZINC000649353166 398165711 /nfs/dbraw/zinc/16/57/11/398165711.db2.gz ZCQRTEFSNOAJHL-NSHDSACASA-N 0 3 217.309 0.759 20 0 BCADHN CN(CCN1CCCCC1)C[C@H]1COCCO1 ZINC000649889624 398165863 /nfs/dbraw/zinc/16/58/63/398165863.db2.gz HALLELHNLKCHIG-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN CCN(C)C(=O)CN(C)CCN1CCCCC1 ZINC000649888356 398166560 /nfs/dbraw/zinc/16/65/60/398166560.db2.gz OTSCJRUXUBUTAQ-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN COc1nccc(CNC[C@@H]2CCCN2C)n1 ZINC000296499479 398166660 /nfs/dbraw/zinc/16/66/60/398166660.db2.gz QUVLRSNXOXTYTA-NSHDSACASA-N 0 3 236.319 0.669 20 0 BCADHN COc1nccc(CNC[C@H]2CCCN2C)n1 ZINC000296499472 398166931 /nfs/dbraw/zinc/16/69/31/398166931.db2.gz QUVLRSNXOXTYTA-LLVKDONJSA-N 0 3 236.319 0.669 20 0 BCADHN CN1CCC[C@@H](N2CCC[C@@H](O)C2)C1=O ZINC000649893185 398167367 /nfs/dbraw/zinc/16/73/67/398167367.db2.gz NGFKOSYMVOUSII-NXEZZACHSA-N 0 3 212.293 0.064 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2CCS(=O)(=O)C2)CS1 ZINC000252120155 398185609 /nfs/dbraw/zinc/18/56/09/398185609.db2.gz KSVOWJADQVTLRJ-VGMNWLOBSA-N 0 3 235.374 0.657 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)C(N)C(F)(F)F ZINC000380098901 398185765 /nfs/dbraw/zinc/18/57/65/398185765.db2.gz LBYZHGXYROUYGO-PBXRRBTRSA-N 0 3 210.199 0.791 20 0 BCADHN COC(=O)CCC(=O)NC1(CN(C)C)CCC1 ZINC000341953951 398186393 /nfs/dbraw/zinc/18/63/93/398186393.db2.gz XANBJZZUABUIQW-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CC[C@@]2(C1)CCCOC2 ZINC000341983886 398186683 /nfs/dbraw/zinc/18/66/83/398186683.db2.gz DBAOGZQBVYOSQC-WCQYABFASA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@@H]1COC[C@H]1NCc1ccn(C)c1 ZINC000576226661 365528478 /nfs/dbraw/zinc/52/84/78/365528478.db2.gz QDDBUIYESFFXBP-GHMZBOCLSA-N 0 3 210.277 0.529 20 0 BCADHN Cc1cc(F)ccc1CNC(CO)CO ZINC000083691772 178084638 /nfs/dbraw/zinc/08/46/38/178084638.db2.gz BDLKEOANPKGMKA-UHFFFAOYSA-N 0 3 213.252 0.577 20 0 BCADHN Cc1cc(F)ccc1CN1C[C@@H](O)[C@H](CO)C1 ZINC000316557771 178085982 /nfs/dbraw/zinc/08/59/82/178085982.db2.gz SHUPZESAIRBBDD-WCQYABFASA-N 0 3 239.290 0.919 20 0 BCADHN CCC1(CC)[C@H](NC(=O)CN)[C@@H](C)[C@H]1OC ZINC000649381008 398190087 /nfs/dbraw/zinc/19/00/87/398190087.db2.gz KXAHUFVPSDPRNA-FBIMIBRVSA-N 0 3 228.336 0.901 20 0 BCADHN COC[C@H](C)CN1CCO[C@]2(CCOC2)C1 ZINC000188542114 346818491 /nfs/dbraw/zinc/81/84/91/346818491.db2.gz GXNAAMOOQHCQEZ-VXGBXAGGSA-N 0 3 229.320 0.760 20 0 BCADHN CCc1ccc(CN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000086331528 398191249 /nfs/dbraw/zinc/19/12/49/398191249.db2.gz JZKSENYVGSDGQK-BETUJISGSA-N 0 3 221.300 0.786 20 0 BCADHN C[C@H]1[C@@H](NCc2cnn(C)c2)CCCN1C ZINC000336747837 398196555 /nfs/dbraw/zinc/19/65/55/398196555.db2.gz SHCFTCRACYMXLF-JQWIXIFHSA-N 0 3 222.336 0.992 20 0 BCADHN O=S1(=O)CCC[C@H](NC2CC=CC2)C1 ZINC000162310679 538922114 /nfs/dbraw/zinc/92/21/14/538922114.db2.gz WEPDUYQYMNOJLL-JTQLQIEISA-N 0 3 215.318 0.872 20 0 BCADHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(N)=O ZINC000336748598 398198583 /nfs/dbraw/zinc/19/85/83/398198583.db2.gz SUDJLRWKIJSCIQ-AXTSPUMRSA-N 0 3 224.304 0.407 20 0 BCADHN COC[C@@H](C)N1CCC(N2CCOCC2)CC1 ZINC000625550587 398198599 /nfs/dbraw/zinc/19/85/99/398198599.db2.gz YBDGSIMRTXBZTF-GFCCVEGCSA-N 0 3 242.363 0.818 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCC(C)(C)CO ZINC000162339924 538922357 /nfs/dbraw/zinc/92/23/57/538922357.db2.gz ONGCMARWCUXJJB-VIFPVBQESA-N 0 3 237.365 0.418 20 0 BCADHN Cc1cc(N2CC(N(C)C)C2)nc(C)n1 ZINC000273192849 178113009 /nfs/dbraw/zinc/11/30/09/178113009.db2.gz CYBIKXTWPIRQEG-UHFFFAOYSA-N 0 3 206.293 0.844 20 0 BCADHN Cc1nn(C)cc1CN[C@@H](C)C(C)(C)O ZINC000162662590 538924011 /nfs/dbraw/zinc/92/40/11/538924011.db2.gz OPHSSYFEVHBXIQ-VIFPVBQESA-N 0 3 211.309 0.978 20 0 BCADHN CCO[C@@H]1C[C@@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC000576303257 365561498 /nfs/dbraw/zinc/56/14/98/365561498.db2.gz YRRWGPKSBSEDGD-HBNTYKKESA-N 0 3 228.336 0.866 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)Cn1ccnc1 ZINC000072826025 343982813 /nfs/dbraw/zinc/98/28/13/343982813.db2.gz NHGNDPDCHWDXGS-LLVKDONJSA-N 0 3 236.319 0.484 20 0 BCADHN Cc1cc(NC(=O)C2(N)CCCC2)nn1C ZINC000300934706 178125173 /nfs/dbraw/zinc/12/51/73/178125173.db2.gz WSWDTJKWVGXTDP-UHFFFAOYSA-N 0 3 222.292 0.939 20 0 BCADHN Cc1cc(NC(=O)C2(N)CCOCC2)ccn1 ZINC000128021422 178126000 /nfs/dbraw/zinc/12/60/00/178126000.db2.gz SKZVLBLDFRUAPT-UHFFFAOYSA-N 0 3 235.287 0.836 20 0 BCADHN C[C@@H]1C(=O)NCCCN1C[C@H]1CCCC[C@H]1O ZINC000576283196 365550938 /nfs/dbraw/zinc/55/09/38/365550938.db2.gz GIGBIIBAMPNTRW-IJLUTSLNSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1cc(CC(=O)N2CCNC(C)(C)C2)no1 ZINC000175404230 365552641 /nfs/dbraw/zinc/55/26/41/365552641.db2.gz BJZBXFHXJOGWSW-UHFFFAOYSA-N 0 3 237.303 0.736 20 0 BCADHN CN[C@@H](C)C(=O)N(C)[C@H](C)c1nc(C)no1 ZINC000576291260 365555113 /nfs/dbraw/zinc/55/51/13/365555113.db2.gz FZOYZYZRRICMQP-NKWVEPMBSA-N 0 3 226.280 0.505 20 0 BCADHN C[C@H]([NH3+])[C@H](C)C(=O)NCc1ncccc1[O-] ZINC000576342952 365570762 /nfs/dbraw/zinc/57/07/62/365570762.db2.gz DAGCYAJKDHKNBF-YUMQZZPRSA-N 0 3 223.276 0.387 20 0 BCADHN C[C@@H]1CCN(C[C@@H]2CCOC2)[C@H](C(N)=O)C1 ZINC000426207852 398215543 /nfs/dbraw/zinc/21/55/43/398215543.db2.gz YFWJWOFZXQFBQP-VWYCJHECSA-N 0 3 226.320 0.609 20 0 BCADHN CN([C@@H]1CCCC[C@H]1O)[C@H]1CCCNC1=O ZINC000426212526 398215593 /nfs/dbraw/zinc/21/55/93/398215593.db2.gz ZXQRIGAZQNLYCI-OUAUKWLOSA-N 0 3 226.320 0.500 20 0 BCADHN CNCC(=O)N[C@H]1CCCc2cc(N)ccc21 ZINC000186582800 136220511 /nfs/dbraw/zinc/22/05/11/136220511.db2.gz QNDRAQDFBNABJJ-LBPRGKRZSA-N 0 3 233.315 0.982 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)CCN1 ZINC000647807568 398216190 /nfs/dbraw/zinc/21/61/90/398216190.db2.gz VIFRLRGRWXLGBR-BDAKNGLRSA-N 0 3 247.289 0.052 20 0 BCADHN C[C@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CCN1 ZINC000647807569 398216593 /nfs/dbraw/zinc/21/65/93/398216593.db2.gz VIFRLRGRWXLGBR-DTWKUNHWSA-N 0 3 247.289 0.052 20 0 BCADHN Cc1cc(NC(=O)[C@@]2(F)CCNC2)n(C)n1 ZINC000378210965 178146706 /nfs/dbraw/zinc/14/67/06/178146706.db2.gz HSVURTZUYCOODX-SNVBAGLBSA-N 0 3 226.255 0.369 20 0 BCADHN C[C@@H](CNC(=O)N1CCC[C@@]1(C)CO)N(C)C ZINC000576362319 365578255 /nfs/dbraw/zinc/57/82/55/365578255.db2.gz BNPILXNUDDRSPY-JQWIXIFHSA-N 0 3 243.351 0.493 20 0 BCADHN CN(CCCCS(C)(=O)=O)CC(C)(C)O ZINC000163338051 538928067 /nfs/dbraw/zinc/92/80/67/538928067.db2.gz VRNSFGCIZZGHJK-UHFFFAOYSA-N 0 3 237.365 0.514 20 0 BCADHN COC(=O)CCN(C)CCOCC1CC1 ZINC000083825855 398212472 /nfs/dbraw/zinc/21/24/72/398212472.db2.gz HWGSSSXQTWLHKU-UHFFFAOYSA-N 0 3 215.293 0.908 20 0 BCADHN COCCNCCNC(=O)[C@H](C)OCC(C)C ZINC000573205473 398212666 /nfs/dbraw/zinc/21/26/66/398212666.db2.gz SKXRPQYWFQJRHM-NSHDSACASA-N 0 3 246.351 0.400 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)C12CC(C1)C2 ZINC000625567487 398213077 /nfs/dbraw/zinc/21/30/77/398213077.db2.gz URFMFRHZDCFSBZ-SQLBVSGCSA-N 0 3 208.305 0.997 20 0 BCADHN Cc1cc(NC[C@@H]2CN(C)CCN2C)nc(C)n1 ZINC000068806326 178166653 /nfs/dbraw/zinc/16/66/53/178166653.db2.gz UMFFLKZVVAJPLZ-GFCCVEGCSA-N 0 3 249.362 0.751 20 0 BCADHN C[C@H](O)[C@H](C)NCc1cnc(N(C)C)n1C ZINC000387085656 398225248 /nfs/dbraw/zinc/22/52/48/398225248.db2.gz ZOMNQNIUMAIFKT-IUCAKERBSA-N 0 3 226.324 0.345 20 0 BCADHN CCN(CC)C(=O)CN[C@@H](C)COC ZINC000020041820 538929917 /nfs/dbraw/zinc/92/99/17/538929917.db2.gz BBSJCGILFGXYDQ-VIFPVBQESA-N 0 3 202.298 0.479 20 0 BCADHN CC(C)NC(=O)NCCN(C)[C@H]1CCCOC1 ZINC000576396046 365584018 /nfs/dbraw/zinc/58/40/18/365584018.db2.gz UPFFOMHPCKTQPD-NSHDSACASA-N 0 3 243.351 0.805 20 0 BCADHN CCN(C(=O)N1CCN(C)C[C@H]1CN)C(C)C ZINC000649422767 398222183 /nfs/dbraw/zinc/22/21/83/398222183.db2.gz VQEDYVJKJWYIMZ-LLVKDONJSA-N 0 3 242.367 0.411 20 0 BCADHN C[C@@H]1[C@@H](CO)CCN1Cc1cnc2cnccn12 ZINC000425983502 398222612 /nfs/dbraw/zinc/22/26/12/398222612.db2.gz CPLHREYAUKMVRL-GHMZBOCLSA-N 0 3 246.314 0.932 20 0 BCADHN CO[C@@](C)(CNCC(=O)NC(C)C)C1CC1 ZINC000381085103 398222723 /nfs/dbraw/zinc/22/27/23/398222723.db2.gz SOZMMMDWCKAOIH-LBPRGKRZSA-N 0 3 228.336 0.916 20 0 BCADHN CCC[C@@]1(C)C(=O)NCCN1C(=O)[C@@H](N)CC ZINC000639017049 398222966 /nfs/dbraw/zinc/22/29/66/398222966.db2.gz QFWQJBVIBQHXQF-CABZTGNLSA-N 0 3 241.335 0.241 20 0 BCADHN Cc1cnn(CCC(=O)NCCN(C)C)c1 ZINC000127680777 398222985 /nfs/dbraw/zinc/22/29/85/398222985.db2.gz SJAHZJQVKVWQAC-UHFFFAOYSA-N 0 3 224.308 0.259 20 0 BCADHN Cc1ccc(F)cc1CNC[C@](C)(O)CO ZINC000163795881 538930759 /nfs/dbraw/zinc/93/07/59/538930759.db2.gz MVHMCMQIGRSELI-LBPRGKRZSA-N 0 3 227.279 0.967 20 0 BCADHN CC1(C(N)=O)CN(C[C@@H](O)C2CCCCC2)C1 ZINC000521038794 259302684 /nfs/dbraw/zinc/30/26/84/259302684.db2.gz LVSZFXMTEDTIQQ-LLVKDONJSA-N 0 3 240.347 0.735 20 0 BCADHN O=C(N[C@H]1CCN2CCCC[C@H]12)C1CC(=O)C1 ZINC000334255171 136224783 /nfs/dbraw/zinc/22/47/83/136224783.db2.gz NRBKHAQMQRAPIA-NWDGAFQWSA-N 0 3 236.315 0.709 20 0 BCADHN Cc1cc([C@@H](C)NC[C@]2(O)CCN(C)C2)no1 ZINC000330804499 178228639 /nfs/dbraw/zinc/22/86/39/178228639.db2.gz GAIMUFBLANIATC-ZYHUDNBSSA-N 0 3 239.319 0.700 20 0 BCADHN Cn1cc(CCN2CC[C@@H]3COC[C@@H]3C2)nn1 ZINC000625556884 343990414 /nfs/dbraw/zinc/99/04/14/343990414.db2.gz LZKGJKOXNIAJNL-MNOVXSKESA-N 0 3 236.319 0.326 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](CC)C(=O)OC ZINC000602440468 349526587 /nfs/dbraw/zinc/52/65/87/349526587.db2.gz PGNGOHRKKNUQEZ-YUMQZZPRSA-N 0 3 216.281 0.052 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCCn1cncn1 ZINC000381213087 398235329 /nfs/dbraw/zinc/23/53/29/398235329.db2.gz XYXVUYORTDJBHG-JTQLQIEISA-N 0 3 239.323 0.158 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](N)CCC(C)C)C(=O)OC ZINC000602441060 349527239 /nfs/dbraw/zinc/52/72/39/349527239.db2.gz SKYAOHGUCIZPBG-VHSXEESVSA-N 0 3 244.335 0.818 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@H](C)[C@H]1C ZINC000261532556 536556915 /nfs/dbraw/zinc/55/69/15/536556915.db2.gz JVSXTIUFURFSLB-DJLDLDEBSA-N 0 3 200.282 0.217 20 0 BCADHN Cn1cc(CCN2CC[C@H]3C[C@H]3C2)nn1 ZINC000625556481 343990002 /nfs/dbraw/zinc/99/00/02/343990002.db2.gz FJMGXMVESTYZMN-UWVGGRQHSA-N 0 3 206.293 0.699 20 0 BCADHN Cc1cc([C@H](C)NCCN(C)C)nn1C ZINC000293968522 178247529 /nfs/dbraw/zinc/24/75/29/178247529.db2.gz AQAFEMNJQHASML-JTQLQIEISA-N 0 3 210.325 0.941 20 0 BCADHN CN(CC(=O)N1CCC[C@@H](O)C1)C1CCC1 ZINC000629944563 361790169 /nfs/dbraw/zinc/79/01/69/361790169.db2.gz RDEBLDLPSMLBFI-LLVKDONJSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@H](CNC(=O)[C@@H](C)c1cncnc1)N(C)C ZINC000629947048 361793658 /nfs/dbraw/zinc/79/36/58/361793658.db2.gz HXUYFRKHTKDJGI-ZJUUUORDSA-N 0 3 236.319 0.646 20 0 BCADHN CN(CC(=O)NCc1c[nH]cn1)C1CCC1 ZINC000629963609 361810390 /nfs/dbraw/zinc/81/03/90/361810390.db2.gz PUSWSLBKXBDJAB-UHFFFAOYSA-N 0 3 222.292 0.510 20 0 BCADHN CN(CC(=O)NCc1cnc[nH]1)C1CCC1 ZINC000629963609 361810393 /nfs/dbraw/zinc/81/03/93/361810393.db2.gz PUSWSLBKXBDJAB-UHFFFAOYSA-N 0 3 222.292 0.510 20 0 BCADHN CN(CC(=O)N1C[C@H]2CC[C@@H](C1)O2)C1CCC1 ZINC000629965919 361813485 /nfs/dbraw/zinc/81/34/85/361813485.db2.gz LKXXHAWUFVQNSG-TXEJJXNPSA-N 0 3 238.331 0.861 20 0 BCADHN CN(CC(=O)NCCc1ncc[nH]1)C1CCC1 ZINC000629959662 361803083 /nfs/dbraw/zinc/80/30/83/361803083.db2.gz HWTUFKDCYHOZBG-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN NC(=O)C1(N[C@H]2CCCSCC2)CC1 ZINC000667979871 488175451 /nfs/dbraw/zinc/17/54/51/488175451.db2.gz UFLHSTGLJCCLGU-QMMMGPOBSA-N 0 3 214.334 0.880 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)CN(C)C1CCC1 ZINC000629970303 361819539 /nfs/dbraw/zinc/81/95/39/361819539.db2.gz JVUSCCTYCJVQSY-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN CC(C)C(=O)NCCN(C)C(=O)C1(N)CCC1 ZINC000576515765 365614980 /nfs/dbraw/zinc/61/49/80/365614980.db2.gz UFDFUUBFXGGIPV-UHFFFAOYSA-N 0 3 241.335 0.098 20 0 BCADHN Cn1nc(C2CC2)nc1CN1CCCN(C)CC1 ZINC000576580884 365630217 /nfs/dbraw/zinc/63/02/17/365630217.db2.gz LHIHDSNYBUFVKK-UHFFFAOYSA-N 0 3 249.362 0.830 20 0 BCADHN Cn1nccc1CNC(=O)[C@H]1NCC1(C)C ZINC000645409712 398248373 /nfs/dbraw/zinc/24/83/73/398248373.db2.gz XWWHTKJBPCINRJ-SECBINFHSA-N 0 3 222.292 0.034 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C(=O)OC)C(C)C ZINC000602430725 349535216 /nfs/dbraw/zinc/53/52/16/349535216.db2.gz OXZPAGLCOZPDCP-BDAKNGLRSA-N 0 3 230.308 0.298 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000129390329 343994267 /nfs/dbraw/zinc/99/42/67/343994267.db2.gz DTPGHLBYXGZKQO-WDEREUQCSA-N 0 3 234.299 0.844 20 0 BCADHN CCN1CCN(C(=O)Cc2ccn[nH]2)[C@H](C)C1 ZINC000288376476 538944969 /nfs/dbraw/zinc/94/49/69/538944969.db2.gz KDBVHLKMSRHTDO-SNVBAGLBSA-N 0 3 236.319 0.505 20 0 BCADHN CN(CC(=O)NCCN1CCC1)C1CCC1 ZINC000629975275 361823873 /nfs/dbraw/zinc/82/38/73/361823873.db2.gz XZTGDXGYZLYGIR-UHFFFAOYSA-N 0 3 225.336 0.293 20 0 BCADHN CC1(C)C[C@@H]1C(=O)NC[C@H]1CNCCO1 ZINC000232832447 136229958 /nfs/dbraw/zinc/22/99/58/136229958.db2.gz XVCWEZGCFVIMOD-RKDXNWHRSA-N 0 3 212.293 0.137 20 0 BCADHN C[C@H](CNC(=O)[C@]1(C)CCCOC1)N(C)C ZINC000357748760 398252940 /nfs/dbraw/zinc/25/29/40/398252940.db2.gz YMITWBPEYABHHS-ZYHUDNBSSA-N 0 3 228.336 0.869 20 0 BCADHN CCNC(=O)[C@H](C)NCC1(COC)CCC1 ZINC000381289077 398253129 /nfs/dbraw/zinc/25/31/29/398253129.db2.gz CNAWLBMOSZBLCX-JTQLQIEISA-N 0 3 228.336 0.917 20 0 BCADHN Cc1nnsc1CNC[C@]1(O)CCO[C@@H]1C ZINC000381459902 398253708 /nfs/dbraw/zinc/25/37/08/398253708.db2.gz JIPZKBKHEJGISY-PSASIEDQSA-N 0 3 243.332 0.476 20 0 BCADHN C[C@H](CN[C@@H](C)[C@H](C)CO)S(C)(=O)=O ZINC000576703099 365664261 /nfs/dbraw/zinc/66/42/61/365664261.db2.gz AODASYYUGTWWOT-HLTSFMKQSA-N 0 3 223.338 0.026 20 0 BCADHN CC1(OCC(=O)N[C@H]2CCCOCC2)CNC1 ZINC000384095773 398258791 /nfs/dbraw/zinc/25/87/91/398258791.db2.gz ZSCBNVKSBHBRHG-JTQLQIEISA-N 0 3 242.319 0.050 20 0 BCADHN C[C@@H]1CN(C(=O)CN)C[C@@H](C(F)(F)F)O1 ZINC000381371216 398254488 /nfs/dbraw/zinc/25/44/88/398254488.db2.gz HOVWMDMQQKJISH-RITPCOANSA-N 0 3 226.198 0.123 20 0 BCADHN C[C@H]1CN(C(=O)CN)C[C@H](C(F)(F)F)O1 ZINC000381371202 398254579 /nfs/dbraw/zinc/25/45/79/398254579.db2.gz HOVWMDMQQKJISH-NTSWFWBYSA-N 0 3 226.198 0.123 20 0 BCADHN CC(C)[C@H](C(=O)NCc1cncn1C)N(C)C ZINC000291178243 538947789 /nfs/dbraw/zinc/94/77/89/538947789.db2.gz JMKMLZJYECKHSR-LLVKDONJSA-N 0 3 238.335 0.623 20 0 BCADHN COc1cc(CN(C)CCO)ccc1O ZINC000077253365 398255043 /nfs/dbraw/zinc/25/50/43/398255043.db2.gz QDUDSCVPINKJOL-UHFFFAOYSA-N 0 3 211.261 0.825 20 0 BCADHN Cc1nnc(NC(=O)[C@H]2NCC2(C)C)s1 ZINC000381831190 398255455 /nfs/dbraw/zinc/25/54/55/398255455.db2.gz NPEZPKRWBAVXKV-ZCFIWIBFSA-N 0 3 226.305 0.783 20 0 BCADHN COc1ccc(CN[C@H](C)CC(N)=O)cn1 ZINC000162059881 349540979 /nfs/dbraw/zinc/54/09/79/349540979.db2.gz DGFJEROCVBRUJN-MRVPVSSYSA-N 0 3 223.276 0.444 20 0 BCADHN CN(CCCN1CCN(C)CC1)CC(F)F ZINC000174724827 538948419 /nfs/dbraw/zinc/94/84/19/538948419.db2.gz DOEPTKSAOSRYJV-UHFFFAOYSA-N 0 3 235.322 0.821 20 0 BCADHN COCCN1CCC(N2CCOCC2)CC1 ZINC000200259777 538948660 /nfs/dbraw/zinc/94/86/60/538948660.db2.gz AKQUPWCBZJECFO-UHFFFAOYSA-N 0 3 228.336 0.429 20 0 BCADHN CN(C(=O)Cc1cc[nH]n1)[C@H]1CCCN(C)C1 ZINC000173245726 538948802 /nfs/dbraw/zinc/94/88/02/538948802.db2.gz ADRFXFAFKMNHQO-NSHDSACASA-N 0 3 236.319 0.505 20 0 BCADHN CN(C(=O)Cc1ccn[nH]1)[C@H]1CCCN(C)C1 ZINC000173245726 538948804 /nfs/dbraw/zinc/94/88/04/538948804.db2.gz ADRFXFAFKMNHQO-NSHDSACASA-N 0 3 236.319 0.505 20 0 BCADHN CCN[C@H](C)C(=O)NC1(CC(=O)OC)CCC1 ZINC000602456533 349554419 /nfs/dbraw/zinc/55/44/19/349554419.db2.gz ADRBNUJIVVPBGM-SECBINFHSA-N 0 3 242.319 0.586 20 0 BCADHN CCN[C@@H](C)C(=O)NC(CC)(CC)C(=O)OC ZINC000602459385 349555362 /nfs/dbraw/zinc/55/53/62/349555362.db2.gz OBTSSSYPCPVRSE-VIFPVBQESA-N 0 3 244.335 0.832 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@H](C)C(=O)OCC ZINC000602460183 349555484 /nfs/dbraw/zinc/55/54/84/349555484.db2.gz VJQBTFYBUYPMNM-RKDXNWHRSA-N 0 3 230.308 0.300 20 0 BCADHN CCN(CC(F)F)C(=O)C[C@H]1CNCCO1 ZINC000386193699 398263607 /nfs/dbraw/zinc/26/36/07/398263607.db2.gz IUXUEMSHNIDGGE-QMMMGPOBSA-N 0 3 236.262 0.479 20 0 BCADHN COCCNCC(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000388844771 398264361 /nfs/dbraw/zinc/26/43/61/398264361.db2.gz FBFQBUFVIBAMTG-GHMZBOCLSA-N 0 3 244.335 0.154 20 0 BCADHN C[C@@H]1C[C@H](O)CN1Cc1ccc(N)nc1 ZINC000384864577 398260368 /nfs/dbraw/zinc/26/03/68/398260368.db2.gz NSXCPNSNPJHSHT-SCZZXKLOSA-N 0 3 207.277 0.449 20 0 BCADHN C[C@@H]1C[C@@H](NCC(C)(C)S(C)(=O)=O)[C@@H](C)O1 ZINC000384885077 398260448 /nfs/dbraw/zinc/26/04/48/398260448.db2.gz KORLWIKKXVNZCC-OPRDCNLKSA-N 0 3 249.376 0.965 20 0 BCADHN COC(=O)[C@H](C)N(C)C(=O)[C@@H](N)CCC(C)C ZINC000602501645 349561513 /nfs/dbraw/zinc/56/15/13/349561513.db2.gz FLKZHSNSMZBKPJ-UWVGGRQHSA-N 0 3 244.335 0.770 20 0 BCADHN CCOC(=O)c1cc(CNCCCOC)on1 ZINC000602501226 349561562 /nfs/dbraw/zinc/56/15/62/349561562.db2.gz BMMWICSYAYBHNR-UHFFFAOYSA-N 0 3 242.275 0.977 20 0 BCADHN CNCC(=O)N1CC(C)(C)OCC1(C)C ZINC000381609280 398266800 /nfs/dbraw/zinc/26/68/00/398266800.db2.gz RMOPQRHOYGEMOG-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000381624513 398267244 /nfs/dbraw/zinc/26/72/44/398267244.db2.gz HVOKBAXLWLUBHV-DTWKUNHWSA-N 0 3 212.293 0.232 20 0 BCADHN CCC(CC)N(CCOC)C(=O)[C@@H](C)N ZINC000037812374 168373940 /nfs/dbraw/zinc/37/39/40/168373940.db2.gz CLHLSVVELQCJFH-SECBINFHSA-N 0 3 216.325 0.997 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCCC[C@@H]1C(=O)OC ZINC000602499312 349559608 /nfs/dbraw/zinc/55/96/08/349559608.db2.gz JFLQAUYFUSHTFU-VHSXEESVSA-N 0 3 242.319 0.539 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)C[C@H](C)C(=O)OC ZINC000602499292 349560036 /nfs/dbraw/zinc/56/00/36/349560036.db2.gz IQJAXIRZVCAISG-IUCAKERBSA-N 0 3 230.308 0.252 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)CCC(=O)OCC ZINC000602502375 349561256 /nfs/dbraw/zinc/56/12/56/349561256.db2.gz FWULBDRSICIGJG-UWVGGRQHSA-N 0 3 244.335 0.832 20 0 BCADHN CCOC(=O)c1ccc(CNCCCO)[nH]1 ZINC000602506384 349582517 /nfs/dbraw/zinc/58/25/17/349582517.db2.gz UAQQRGGHURCPEC-UHFFFAOYSA-N 0 3 226.276 0.663 20 0 BCADHN C[C@H]1CS(=O)(=O)C[C@H]1N[C@@H]1CCCSC1 ZINC000378786797 346832352 /nfs/dbraw/zinc/83/23/52/346832352.db2.gz LOQXUTHNJXJFAR-IVZWLZJFSA-N 0 3 249.401 0.905 20 0 BCADHN COCCCCNCc1cc(C(=O)OC)no1 ZINC000602513701 349585852 /nfs/dbraw/zinc/58/58/52/349585852.db2.gz GYOPHPFHHXHUSF-UHFFFAOYSA-N 0 3 242.275 0.977 20 0 BCADHN COC[C@@]1(C)CN(C[C@H]2CCCN2C)CCO1 ZINC000626177429 346835524 /nfs/dbraw/zinc/83/55/24/346835524.db2.gz NYLDBPNUGHQLEW-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN CCOC(=O)CCNC(=O)CN1CC[C@H](C)C1 ZINC000553062310 398268368 /nfs/dbraw/zinc/26/83/68/398268368.db2.gz NSLGEKZIEZBIHV-JTQLQIEISA-N 0 3 242.319 0.398 20 0 BCADHN C[C@@H](NCc1ccc(-n2ccnc2)cc1)C(N)=O ZINC000035047473 538955537 /nfs/dbraw/zinc/95/55/37/538955537.db2.gz KDDWPLARADEARR-SNVBAGLBSA-N 0 3 244.298 0.836 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC000602521258 349574864 /nfs/dbraw/zinc/57/48/64/349574864.db2.gz LPHGYEGCVJGUNR-XHNCKOQMSA-N 0 3 228.292 0.052 20 0 BCADHN Cc1cc(NC(=O)C(C)(C)N)cn(C)c1=O ZINC000335381400 136234776 /nfs/dbraw/zinc/23/47/76/136234776.db2.gz UJSLQGMAOZWARO-UHFFFAOYSA-N 0 3 223.276 0.370 20 0 BCADHN C[C@@H](CNC(=O)NC1(C)COC1)N(C)C1CC1 ZINC000636732947 349601560 /nfs/dbraw/zinc/60/15/60/349601560.db2.gz YWVGTVQRNIJAAQ-VIFPVBQESA-N 0 3 241.335 0.557 20 0 BCADHN COC(=O)[C@@]1(NC(=O)CN)CCCC(C)(C)C1 ZINC000602539181 349604817 /nfs/dbraw/zinc/60/48/17/349604817.db2.gz FNNJJWYKGSODIY-GFCCVEGCSA-N 0 3 242.319 0.573 20 0 BCADHN C[C@H]1OCC[C@H]1NC[C@H]1CN(C)C(=O)O1 ZINC000378858853 346847686 /nfs/dbraw/zinc/84/76/86/346847686.db2.gz ZOKLDUSDWGFMQB-HRDYMLBCSA-N 0 3 214.265 0.204 20 0 BCADHN OC1(CNC2CN(c3ccncn3)C2)CCCC1 ZINC000634728941 344000364 /nfs/dbraw/zinc/00/03/64/344000364.db2.gz SMWYKGRZEQGAQO-UHFFFAOYSA-N 0 3 248.330 0.560 20 0 BCADHN COC[C@@H]1CN(C[C@H]2CCCC[C@@H]2O)CCO1 ZINC000583910133 342679674 /nfs/dbraw/zinc/67/96/74/342679674.db2.gz VHCHVRLBTCNLQH-AGIUHOORSA-N 0 3 243.347 0.885 20 0 BCADHN CN(C)CC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000622690148 342684983 /nfs/dbraw/zinc/68/49/83/342684983.db2.gz HRBZLMQYZDHGCY-UHFFFAOYSA-N 0 3 239.323 0.280 20 0 BCADHN C[NH+](C)CC(=O)NCc1nnc(C(C)(C)C)[n-]1 ZINC000622690148 342684984 /nfs/dbraw/zinc/68/49/84/342684984.db2.gz HRBZLMQYZDHGCY-UHFFFAOYSA-N 0 3 239.323 0.280 20 0 BCADHN CCOc1cccc(CCNC(=O)CN)c1 ZINC000083351933 398278041 /nfs/dbraw/zinc/27/80/41/398278041.db2.gz ZZNUTHCZMFMMHI-UHFFFAOYSA-N 0 3 222.288 0.703 20 0 BCADHN C[C@@H]1NCCN(C(=O)NCCC(C)(C)O)[C@H]1C ZINC000335603871 136235876 /nfs/dbraw/zinc/23/58/76/136235876.db2.gz JNCDNUXHTQCIEH-UWVGGRQHSA-N 0 3 243.351 0.539 20 0 BCADHN COCCNCCNC(=O)N1CC[C@@H](C)[C@H]1C ZINC000418499325 192042188 /nfs/dbraw/zinc/04/21/88/192042188.db2.gz NRRLEQHPZBLFSP-GHMZBOCLSA-N 0 3 243.351 0.662 20 0 BCADHN CO[C@@H]1CCCC[C@@H]1NCc1cnnn1C ZINC000165506717 361841563 /nfs/dbraw/zinc/84/15/63/361841563.db2.gz MDBXNLHPHGSJIT-WDEREUQCSA-N 0 3 224.308 0.862 20 0 BCADHN COCCNCCNC(=O)N1CC[C@H](C)C1 ZINC000418497679 192042367 /nfs/dbraw/zinc/04/23/67/192042367.db2.gz KQJFFZFQGWCPHC-JTQLQIEISA-N 0 3 229.324 0.274 20 0 BCADHN CC[C@H]1CCN(C(=O)NCCNCCOC)C1 ZINC000418497236 192042378 /nfs/dbraw/zinc/04/23/78/192042378.db2.gz JUACBDMVVHTPHR-NSHDSACASA-N 0 3 243.351 0.664 20 0 BCADHN CO[C@@H](C)CN1CCC(NC(C)=O)CC1 ZINC000182101192 538961901 /nfs/dbraw/zinc/96/19/01/538961901.db2.gz KHBYHYFKUQGCAG-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN CN(C(=O)[C@H]1NCC1(C)C)[C@H]1CCOC1 ZINC000381870671 398281115 /nfs/dbraw/zinc/28/11/15/398281115.db2.gz YRDHIKISBRTVGA-DTWKUNHWSA-N 0 3 212.293 0.232 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@@H]1CN(C)C(=O)O1 ZINC000496980711 529384499 /nfs/dbraw/zinc/38/44/99/529384499.db2.gz YKMVWPUQQFEBLX-MNOVXSKESA-N 0 3 241.335 0.463 20 0 BCADHN CC[C@@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC000332497572 342745658 /nfs/dbraw/zinc/74/56/58/342745658.db2.gz SJCGTLVURRMBAG-ZJUUUORDSA-N 0 3 216.325 0.460 20 0 BCADHN CCC(CC)NC(=O)[C@H](C)N1CCNCC1 ZINC000034939722 168382732 /nfs/dbraw/zinc/38/27/32/168382732.db2.gz WKLJOOJWPDKPPA-JTQLQIEISA-N 0 3 227.352 0.585 20 0 BCADHN COCCCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000167386664 361864919 /nfs/dbraw/zinc/86/49/19/361864919.db2.gz QPJUXDHQOAMVPX-ZJUUUORDSA-N 0 3 214.309 0.527 20 0 BCADHN CCc1nn(C)cc1CN1CC[C@H](C(N)=O)C1 ZINC000183449596 538966957 /nfs/dbraw/zinc/96/69/57/538966957.db2.gz GTENZMJHJKZZRV-VIFPVBQESA-N 0 3 236.319 0.290 20 0 BCADHN CCN1C[C@@H](C)N(Cc2cn(C)nn2)[C@H](C)C1 ZINC000580291850 346860430 /nfs/dbraw/zinc/86/04/30/346860430.db2.gz KISHEAJXTRDPOH-GHMZBOCLSA-N 0 3 237.351 0.730 20 0 BCADHN Cn1ccc(CC(=O)NCCN2CCCC2)n1 ZINC000182989556 538965260 /nfs/dbraw/zinc/96/52/60/538965260.db2.gz TXHKJFLYTKQQKR-UHFFFAOYSA-N 0 3 236.319 0.175 20 0 BCADHN COCC1(C)CN(C(=O)CN(C)C2CCC2)C1 ZINC000629986492 361872069 /nfs/dbraw/zinc/87/20/69/361872069.db2.gz GTCWDRDPLJCWMV-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CN1CC[C@@H](CSc2nc(N)n[nH]2)C1 ZINC000190965723 398280446 /nfs/dbraw/zinc/28/04/46/398280446.db2.gz FRZQXDUZQXDEBL-ZCFIWIBFSA-N 0 3 213.310 0.431 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000035222942 342734750 /nfs/dbraw/zinc/73/47/50/342734750.db2.gz CYYISHHAQAKICG-YPMHNXCESA-N 0 3 247.342 0.724 20 0 BCADHN Cc1nccnc1C(=O)N(C)C[C@H]1CCCN1C ZINC000616386131 342749990 /nfs/dbraw/zinc/74/99/90/342749990.db2.gz MOVBRGMPHCSPID-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN1C ZINC000588705521 398280734 /nfs/dbraw/zinc/28/07/34/398280734.db2.gz FOKZSAVSCNQPKJ-JTQLQIEISA-N 0 3 241.335 0.112 20 0 BCADHN CN(CC(=O)N1CCO[C@@H](CF)C1)C1CCC1 ZINC000630008214 361892685 /nfs/dbraw/zinc/89/26/85/361892685.db2.gz SKSOOFHBRPMNAD-NSHDSACASA-N 0 3 244.310 0.668 20 0 BCADHN CN(CC(=O)N1CC[C@@](F)(CO)C1)C1CCC1 ZINC000629991277 361875843 /nfs/dbraw/zinc/87/58/43/361875843.db2.gz UALDIAOFGBAXTD-LBPRGKRZSA-N 0 3 244.310 0.404 20 0 BCADHN CN(CC(=O)N1Cc2c[nH]nc2C1)C1CCC1 ZINC000629993448 361878805 /nfs/dbraw/zinc/87/88/05/361878805.db2.gz BJJNFHZXDSXZRN-UHFFFAOYSA-N 0 3 234.303 0.736 20 0 BCADHN CC(=O)N[C@H](C(=O)NC[C@H](C)N(C)C)C(C)C ZINC000046274145 342764281 /nfs/dbraw/zinc/76/42/81/342764281.db2.gz NHFRRJZCVYOWMY-ONGXEEELSA-N 0 3 243.351 0.213 20 0 BCADHN CCCN1CCN(c2ccnc(C(N)=O)c2)CC1 ZINC000183919381 538968073 /nfs/dbraw/zinc/96/80/73/538968073.db2.gz XQMQQIMFTRDIKF-UHFFFAOYSA-N 0 3 248.330 0.713 20 0 BCADHN C[C@@H](N)C(=O)N1CCC(C2CCOCC2)CC1 ZINC000157973518 398282314 /nfs/dbraw/zinc/28/23/14/398282314.db2.gz UZGXWLKLNTTYLZ-SNVBAGLBSA-N 0 3 240.347 0.999 20 0 BCADHN Cc1nccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)n1 ZINC000607690427 342772299 /nfs/dbraw/zinc/77/22/99/342772299.db2.gz RFFOTFYPZGOSIM-KOLCDFICSA-N 0 3 248.330 0.998 20 0 BCADHN COCCCN(C)CCNc1cccnn1 ZINC000309643071 342774947 /nfs/dbraw/zinc/77/49/47/342774947.db2.gz LGGRWXJUMYKRSY-UHFFFAOYSA-N 0 3 224.308 0.857 20 0 BCADHN CCCc1nsc(NC(=O)[C@H]2CCN2)n1 ZINC000309647874 342775503 /nfs/dbraw/zinc/77/55/03/342775503.db2.gz RCQRFROYHPVWSN-ZCFIWIBFSA-N 0 3 226.305 0.791 20 0 BCADHN C[NH2+]C1(CNC(=O)c2cc(=O)[n-]cn2)CCC1 ZINC000630004032 361887190 /nfs/dbraw/zinc/88/71/90/361887190.db2.gz XIXYOLNQEXBQJU-UHFFFAOYSA-N 0 3 236.275 0.054 20 0 BCADHN COC[C@H](OC)C(=O)N(C)C[C@@H]1CCCN1C ZINC000616386332 342751290 /nfs/dbraw/zinc/75/12/90/342751290.db2.gz RCNDNJPZGSYTQB-QWRGUYRKSA-N 0 3 244.335 0.200 20 0 BCADHN COCCNCCNC(=O)N1C[C@H](C)C[C@H]1C ZINC000418506472 192045051 /nfs/dbraw/zinc/04/50/51/192045051.db2.gz IMTOASIGWOVMRY-GHMZBOCLSA-N 0 3 243.351 0.662 20 0 BCADHN COC(=O)[C@H]1CCN(CCc2cncc(C)n2)C1 ZINC000402632598 342782955 /nfs/dbraw/zinc/78/29/55/342782955.db2.gz ZTMKJVRYGSVCQK-NSHDSACASA-N 0 3 249.314 0.822 20 0 BCADHN O=C([C@H](O)C1CCCCC1)N1CCCNCC1 ZINC000335437257 398287652 /nfs/dbraw/zinc/28/76/52/398287652.db2.gz PMGOTHIADOOATL-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@@H](NC[C@@H](O)CC1CCCC1)C(=O)N(C)C ZINC000232129844 342788543 /nfs/dbraw/zinc/78/85/43/342788543.db2.gz BAHPKSUBZNMIFC-PWSUYJOCSA-N 0 3 242.363 0.994 20 0 BCADHN COCCNCCNC(=O)N(C)CC1CC1 ZINC000418505922 192044731 /nfs/dbraw/zinc/04/47/31/192044731.db2.gz GLMCYJGUXZDOKZ-UHFFFAOYSA-N 0 3 229.324 0.274 20 0 BCADHN CO[C@H](C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000067863176 342790866 /nfs/dbraw/zinc/79/08/66/342790866.db2.gz HXCIFOKYSJIVCK-RKDXNWHRSA-N 0 3 212.293 0.374 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1CCCN1C)[C@H](C)O ZINC000630022158 361902646 /nfs/dbraw/zinc/90/26/46/361902646.db2.gz WVHSRFWBRZEPAB-HBNTYKKESA-N 0 3 228.336 0.604 20 0 BCADHN COC(=O)c1[nH]c(CN[C@@H]2CCOC2)cc1C ZINC000602569558 349620035 /nfs/dbraw/zinc/62/00/35/349620035.db2.gz AJVKNRMCCKICBX-SECBINFHSA-N 0 3 238.287 0.988 20 0 BCADHN CN(CC1(C)COC1)C(=O)CN(C)C1CCC1 ZINC000630022907 361903929 /nfs/dbraw/zinc/90/39/29/361903929.db2.gz COCMJMHHUMJLRL-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN O=C(CCc1ccccc1)NC[C@H]1CNCCO1 ZINC000036285509 342795090 /nfs/dbraw/zinc/79/50/90/342795090.db2.gz BJMPXJXVIMNUAR-CYBMUJFWSA-N 0 3 248.326 0.724 20 0 BCADHN CN(C[C@H](O)C[C@@](C)(O)C1CC1)[C@H]1CCOC1 ZINC000630036525 361907652 /nfs/dbraw/zinc/90/76/52/361907652.db2.gz JGOWPODMCYYUOE-YNEHKIRRSA-N 0 3 243.347 0.619 20 0 BCADHN COC[C@H](C)N1CCN2CCOC[C@@H]2C1 ZINC000348763544 136238303 /nfs/dbraw/zinc/23/83/03/136238303.db2.gz NPOPFCVRUNPKRP-QWRGUYRKSA-N 0 3 214.309 0.038 20 0 BCADHN C[C@@H]1CN(C[C@H](O)C[C@](C)(O)C2CC2)C[C@@H]1O ZINC000630042142 361908864 /nfs/dbraw/zinc/90/88/64/361908864.db2.gz GZXBKPQHSLRQAV-XEZLXBQYSA-N 0 3 243.347 0.211 20 0 BCADHN CCC[C@H](C)NC(=O)CNCCOC ZINC000042221667 538976923 /nfs/dbraw/zinc/97/69/23/538976923.db2.gz ZQFAPECCZJSYJU-VIFPVBQESA-N 0 3 202.298 0.527 20 0 BCADHN CCOC(=O)c1ccc(CNC[C@@H](C)O)[nH]1 ZINC000602576154 349624934 /nfs/dbraw/zinc/62/49/34/349624934.db2.gz NMRDASIQJVXBSL-MRVPVSSYSA-N 0 3 226.276 0.662 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)CO1 ZINC000402228318 398290525 /nfs/dbraw/zinc/29/05/25/398290525.db2.gz TVQPSNIQGPJZTN-UHTWSYAYSA-N 0 3 248.326 0.850 20 0 BCADHN CCN1CCCN(C(=O)[C@H]2CO[C@@H](C)C2)CC1 ZINC000336608604 342812490 /nfs/dbraw/zinc/81/24/90/342812490.db2.gz RSHQBKMPXHUSIX-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](CNC(=O)N1CC(CO)C1)N(C)C1CC1 ZINC000188625559 538979169 /nfs/dbraw/zinc/97/91/69/538979169.db2.gz LOHAYOPRRQAHQP-SECBINFHSA-N 0 3 241.335 0.103 20 0 BCADHN O[C@H](CNC1CSC1)COCC1CC1 ZINC000379646778 538979424 /nfs/dbraw/zinc/97/94/24/538979424.db2.gz YUULWOBYGQPZPN-SNVBAGLBSA-N 0 3 217.334 0.479 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@H](C)COC ZINC000187253414 538976194 /nfs/dbraw/zinc/97/61/94/538976194.db2.gz FYOMSGXRININJL-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN Cc1ccnc(NCCN2CC[C@H](O)C2)c1 ZINC000624772601 342827112 /nfs/dbraw/zinc/82/71/12/342827112.db2.gz AGHWWCJODBYFKT-NSHDSACASA-N 0 3 221.304 0.869 20 0 BCADHN CCO[C@H]1C[C@H]1C(=O)NCCN(C)CC ZINC000066949112 361925657 /nfs/dbraw/zinc/92/56/57/361925657.db2.gz UYSHMPGAJVWQBJ-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN Cc1c[nH]nc1CN[C@@H]1CCCN(C)C1 ZINC000380357224 538989469 /nfs/dbraw/zinc/98/94/69/538989469.db2.gz XCVAKBXGNUZYBM-SNVBAGLBSA-N 0 3 208.309 0.902 20 0 BCADHN COC[C@](C)(O)CNCc1n[nH]cc1C ZINC000380355538 538989671 /nfs/dbraw/zinc/98/96/71/538989671.db2.gz WQYAEDBPUSFPBM-SNVBAGLBSA-N 0 3 213.281 0.205 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@H]1CCCN1C ZINC000649495571 398293389 /nfs/dbraw/zinc/29/33/89/398293389.db2.gz XEDKLPBDKUVTBL-MNOVXSKESA-N 0 3 225.336 0.291 20 0 BCADHN O=C(CCc1ccncn1)NCCN1CCCC1 ZINC000191152121 538991528 /nfs/dbraw/zinc/99/15/28/538991528.db2.gz HCQLUJRZHJYPFR-UHFFFAOYSA-N 0 3 248.330 0.621 20 0 BCADHN CCN(C(=O)NCCNCCOC)C(C)C ZINC000418516409 192046261 /nfs/dbraw/zinc/04/62/61/192046261.db2.gz ZRAIBHNKFKTKRR-UHFFFAOYSA-N 0 3 231.340 0.662 20 0 BCADHN CC(C)(CNCC1=CCCOC1)S(C)(=O)=O ZINC000381012838 538993758 /nfs/dbraw/zinc/99/37/58/538993758.db2.gz ACSAUDKRIRSNPB-UHFFFAOYSA-N 0 3 247.360 0.746 20 0 BCADHN CC(C)C[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624010120 346864983 /nfs/dbraw/zinc/86/49/83/346864983.db2.gz IIWDLDJJNYIJJE-QMMMGPOBSA-N 0 3 236.323 0.569 20 0 BCADHN CCN(C)C(=O)CN[C@@]1(CC)CCOC1 ZINC000379955928 538982520 /nfs/dbraw/zinc/98/25/20/538982520.db2.gz VJGOAWGBXJDAEN-NSHDSACASA-N 0 3 214.309 0.623 20 0 BCADHN Cc1cc(CN)cc(NC(=O)CN(C)C)c1 ZINC000322953320 342837239 /nfs/dbraw/zinc/83/72/39/342837239.db2.gz UAXQLNRXWXLKPN-UHFFFAOYSA-N 0 3 221.304 0.954 20 0 BCADHN C[C@@H]1CN(C(=O)NC2CCN(C)CC2)CCO1 ZINC000193137774 539001977 /nfs/dbraw/zinc/00/19/77/539001977.db2.gz VXPAFAJQUCTQFU-SNVBAGLBSA-N 0 3 241.335 0.511 20 0 BCADHN COC[C@@H](C)OC[C@@H](O)CN1CC(C)(C)C1 ZINC000381883331 539008007 /nfs/dbraw/zinc/00/80/07/539008007.db2.gz PNPADLONTRPQSW-MNOVXSKESA-N 0 3 231.336 0.741 20 0 BCADHN CC(C)(O)CN1CCN(Cc2cn[nH]c2)CC1 ZINC000383283921 539011537 /nfs/dbraw/zinc/01/15/37/539011537.db2.gz LOSWKEJMXNPWRZ-UHFFFAOYSA-N 0 3 238.335 0.298 20 0 BCADHN C[C@@H](C[C@H]1CCOC1)NCc1ncnn1C ZINC000381314108 538998270 /nfs/dbraw/zinc/99/82/70/538998270.db2.gz MLDXKIDCEFQXEC-VHSXEESVSA-N 0 3 224.308 0.720 20 0 BCADHN CCC1CC(NC[C@@H]2CS(=O)(=O)CCO2)C1 ZINC000381386384 538999731 /nfs/dbraw/zinc/99/97/31/538999731.db2.gz MWBBANKRRXPJEE-VQXHTEKXSA-N 0 3 247.360 0.578 20 0 BCADHN C[C@H](N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCCO1 ZINC000390428070 539021394 /nfs/dbraw/zinc/02/13/94/539021394.db2.gz NOAFBHJPYMCANJ-HBNTYKKESA-N 0 3 247.360 0.721 20 0 BCADHN c1n[nH]cc1CN[C@@H]1CCc2c[nH]nc2C1 ZINC000390484121 539022706 /nfs/dbraw/zinc/02/27/06/539022706.db2.gz NYWAEVSQROFJJR-SNVBAGLBSA-N 0 3 217.276 0.780 20 0 BCADHN CC(C)CC[C@@H](C)NC(=O)CN1CCNCC1 ZINC000036946280 398297941 /nfs/dbraw/zinc/29/79/41/398297941.db2.gz JRGYULAGWVCNPA-GFCCVEGCSA-N 0 3 241.379 0.833 20 0 BCADHN CC1(C)CN(CCn2ccccc2=O)C[C@H]1O ZINC000388124195 539014541 /nfs/dbraw/zinc/01/45/41/539014541.db2.gz CZJYAVWSAPDFPZ-LLVKDONJSA-N 0 3 236.315 0.551 20 0 BCADHN CN1CCC(NC(=O)N[C@@H](CO)CCF)CC1 ZINC000650561555 398298304 /nfs/dbraw/zinc/29/83/04/398298304.db2.gz QUYIKPJFMRLWOJ-SNVBAGLBSA-N 0 3 247.314 0.100 20 0 BCADHN C[C@@H](CCO)N(C)C(=O)NC1CCN(C)CC1 ZINC000650561360 398298340 /nfs/dbraw/zinc/29/83/40/398298340.db2.gz LGNOVCZUILTYCX-JTQLQIEISA-N 0 3 243.351 0.493 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@@H](C)O[C@H](CC)C1 ZINC000129521761 344007081 /nfs/dbraw/zinc/00/70/81/344007081.db2.gz HLBAPUUKUZSFLL-OPRDCNLKSA-N 0 3 214.309 0.750 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000011958072 342845032 /nfs/dbraw/zinc/84/50/32/342845032.db2.gz UQMXMEAIDMVFER-ZETCQYMHSA-N 0 3 222.244 0.744 20 0 BCADHN COC1CCN(CCc2cn(C)nn2)CC1 ZINC000625041557 342845431 /nfs/dbraw/zinc/84/54/31/342845431.db2.gz BTBUEQPCCLGVMB-UHFFFAOYSA-N 0 3 224.308 0.468 20 0 BCADHN CCO[C@H](CN1CCN(CCO)CC1)C1CC1 ZINC000625063334 342847530 /nfs/dbraw/zinc/84/75/30/342847530.db2.gz KBFRBFVUVYXINC-CYBMUJFWSA-N 0 3 242.363 0.411 20 0 BCADHN CN1CCCN(CC(=O)NCC(C)(C)C)CC1 ZINC000625063049 342847757 /nfs/dbraw/zinc/84/77/57/342847757.db2.gz FALXDGYRLVSONU-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN CCO[C@@H](CN1CCN(CCO)CC1)C1CC1 ZINC000625063335 342847760 /nfs/dbraw/zinc/84/77/60/342847760.db2.gz KBFRBFVUVYXINC-ZDUSSCGKSA-N 0 3 242.363 0.411 20 0 BCADHN CN(CCc1cn(C)nn1)C[C@H]1CCCO1 ZINC000625089425 342850646 /nfs/dbraw/zinc/85/06/46/342850646.db2.gz JDWWZLPFHPPGQA-LLVKDONJSA-N 0 3 224.308 0.468 20 0 BCADHN CC[C@@H](N)C(=O)NC1(C)CCOCC1 ZINC000229900351 342853289 /nfs/dbraw/zinc/85/32/89/342853289.db2.gz ZLMRJMBOFBQPQA-MRVPVSSYSA-N 0 3 200.282 0.409 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000037033321 398299976 /nfs/dbraw/zinc/29/99/76/398299976.db2.gz FVAOXBGLXMVIIX-SNVBAGLBSA-N 0 3 247.302 0.953 20 0 BCADHN O=C1CC[C@@H](CN2CCC[C@@H](n3ccnc3)C2)N1 ZINC000649510327 398304383 /nfs/dbraw/zinc/30/43/83/398304383.db2.gz AABBMYBHMIBLAG-NWDGAFQWSA-N 0 3 248.330 0.799 20 0 BCADHN N[C@H](C(=O)N[C@H]1CCN(C2CC2)C1)C1CCC1 ZINC000399169986 398304718 /nfs/dbraw/zinc/30/47/18/398304718.db2.gz IACUWZSMJPLXCR-JQWIXIFHSA-N 0 3 237.347 0.467 20 0 BCADHN CO[C@H](CNC(=O)N[C@@H](C)CN(C)C)C(C)C ZINC000353992366 536614397 /nfs/dbraw/zinc/61/43/97/536614397.db2.gz BRKFPRGDGPEKPH-WDEREUQCSA-N 0 3 245.367 0.907 20 0 BCADHN COC(=O)[C@H](C)CN(C)Cc1cnc[nH]1 ZINC000091985959 398304876 /nfs/dbraw/zinc/30/48/76/398304876.db2.gz CNEHPNZELPWBQZ-MRVPVSSYSA-N 0 3 211.265 0.651 20 0 BCADHN COC[C@@](C)(CCO)[NH2+]Cc1ncccc1[O-] ZINC000519476881 398305245 /nfs/dbraw/zinc/30/52/45/398305245.db2.gz DYWIAZKVACZLID-GFCCVEGCSA-N 0 3 240.303 0.664 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000232666969 342868199 /nfs/dbraw/zinc/86/81/99/342868199.db2.gz ZXAYMIRZAREBEQ-VHSXEESVSA-N 0 3 214.309 0.668 20 0 BCADHN C[C@H](CCNCc1ccnn1C)[S@](C)=O ZINC000132569913 398307183 /nfs/dbraw/zinc/30/71/83/398307183.db2.gz QGHBKTRGUOHZLH-RFAUZJTJSA-N 0 3 229.349 0.667 20 0 BCADHN C[C@H](CCNCc1ccnn1C)[S@@](C)=O ZINC000132570333 398307362 /nfs/dbraw/zinc/30/73/62/398307362.db2.gz QGHBKTRGUOHZLH-PSLIRLAXSA-N 0 3 229.349 0.667 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000402105644 349632035 /nfs/dbraw/zinc/63/20/35/349632035.db2.gz VZQQCFVHPOALHR-AEJSXWLSSA-N 0 3 214.309 0.653 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2)CO1 ZINC000402105626 349632171 /nfs/dbraw/zinc/63/21/71/349632171.db2.gz VYBGRZUMNZDNLB-IVZWLZJFSA-N 0 3 212.293 0.422 20 0 BCADHN CNC(=O)[C@@H](N[C@@H]1COC(C)(C)C1)C(C)C ZINC000417942448 398309233 /nfs/dbraw/zinc/30/92/33/398309233.db2.gz BTLYPFXJPYNENQ-UWVGGRQHSA-N 0 3 228.336 0.914 20 0 BCADHN Cc1noc(NC(=O)N2C[C@H](C)NC[C@@H]2C)n1 ZINC000333172739 398316270 /nfs/dbraw/zinc/31/62/70/398316270.db2.gz OBRHMXSLCMUIOX-BQBZGAKWSA-N 0 3 239.279 0.014 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1ccnc2ccnn21 ZINC000236792556 398316581 /nfs/dbraw/zinc/31/65/81/398316581.db2.gz BGANOKHOIBILFB-JTQLQIEISA-N 0 3 233.275 0.651 20 0 BCADHN CCOCCN(CC)CCc1cn(C)nn1 ZINC000625158049 342896972 /nfs/dbraw/zinc/89/69/72/342896972.db2.gz XXDLXOLELRFPBJ-UHFFFAOYSA-N 0 3 226.324 0.716 20 0 BCADHN CCO[C@@H]1C[C@H](N(C)C(=O)CNC)C1(C)C ZINC000236857725 398319223 /nfs/dbraw/zinc/31/92/23/398319223.db2.gz TWXHHQFDSRVNDY-VHSXEESVSA-N 0 3 228.336 0.868 20 0 BCADHN COCCN(C)CCNC(=O)CCCSC ZINC000134770836 342884043 /nfs/dbraw/zinc/88/40/43/342884043.db2.gz YZZMZUIKHVUHCL-UHFFFAOYSA-N 0 3 248.392 0.824 20 0 BCADHN CCO[C@H](CN(CCO)CCO)C1CC1 ZINC000625137780 342888133 /nfs/dbraw/zinc/88/81/33/342888133.db2.gz ULKYCWIAPXQBGH-LLVKDONJSA-N 0 3 217.309 0.088 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H](O)c1ccccc1 ZINC000035605562 342889910 /nfs/dbraw/zinc/88/99/10/342889910.db2.gz IVSQEPYOAHLVBJ-WCBMZHEXSA-N 0 3 208.261 0.183 20 0 BCADHN C[C@H](CO)NCc1ccc(C(N)=O)cc1 ZINC000035604703 342889970 /nfs/dbraw/zinc/88/99/70/342889970.db2.gz 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BCADHN CCS(=O)(=O)NC[C@@H](N)c1ccccc1 ZINC000036297572 342908326 /nfs/dbraw/zinc/90/83/26/342908326.db2.gz PMRSRKMNXMJDEP-SNVBAGLBSA-N 0 3 228.317 0.626 20 0 BCADHN CCC[C@H](N)C(=O)Nc1cnn(CC)c1 ZINC000036873302 342911973 /nfs/dbraw/zinc/91/19/73/342911973.db2.gz QUZYWSBMXGEVHP-VIFPVBQESA-N 0 3 210.281 0.969 20 0 BCADHN CCN1CCC[C@H]1CNCc1cc[nH]n1 ZINC000036900078 342912888 /nfs/dbraw/zinc/91/28/88/342912888.db2.gz JPUFRSOIIFYVNR-NSHDSACASA-N 0 3 208.309 0.984 20 0 BCADHN CN(C[C@@H](O)CN(C)C1CC1)c1cnn(C)c1 ZINC000351514816 136246646 /nfs/dbraw/zinc/24/66/46/136246646.db2.gz AKIUVJZSTAJSJA-LBPRGKRZSA-N 0 3 238.335 0.311 20 0 BCADHN CCCCNC(=O)CN1CC[C@H](CO)[C@H]1C ZINC000386013554 342901132 /nfs/dbraw/zinc/90/11/32/342901132.db2.gz UTFGBXSLQTUQHU-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN COC(=O)C(C)(C)CCN(C)[C@@H]1COC[C@@H]1O ZINC000352800819 398323703 /nfs/dbraw/zinc/32/37/03/398323703.db2.gz QBBNBGBEZJSEKP-ZJUUUORDSA-N 0 3 245.319 0.267 20 0 BCADHN OCCCN(C[C@H](O)CC1(O)CCC1)C1CC1 ZINC000625174737 342901751 /nfs/dbraw/zinc/90/17/51/342901751.db2.gz LSZSHCWIQGSWPR-GFCCVEGCSA-N 0 3 243.347 0.499 20 0 BCADHN CC[C@H]1COCCN1C(=O)CNC(C)C ZINC000037477201 488186257 /nfs/dbraw/zinc/18/62/57/488186257.db2.gz LKDNUBLMKKDSSI-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H](O)CCN(C)C[C@@H](O)CC1(O)CCC1 ZINC000625185315 342904639 /nfs/dbraw/zinc/90/46/39/342904639.db2.gz WLVAMACZUMSSIY-QWRGUYRKSA-N 0 3 231.336 0.355 20 0 BCADHN COC(=O)[C@H](C)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000342546273 536629887 /nfs/dbraw/zinc/62/98/87/536629887.db2.gz NAJMUPWOZOQDGH-IVZWLZJFSA-N 0 3 246.376 0.525 20 0 BCADHN COC(=O)c1ccc(N2CC(N(C)C)C2)nc1C ZINC000302132224 398325571 /nfs/dbraw/zinc/32/55/71/398325571.db2.gz KTTGIYYTRSRJAU-UHFFFAOYSA-N 0 3 249.314 0.927 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@H](N)CC(F)F ZINC000308455594 346874753 /nfs/dbraw/zinc/87/47/53/346874753.db2.gz CYESBWMFRGSUTN-NTSWFWBYSA-N 0 3 210.224 0.120 20 0 BCADHN CCOC(=O)C[C@@H](O)CNC(C)(C)COC ZINC000234000327 342924454 /nfs/dbraw/zinc/92/44/54/342924454.db2.gz MZPXLALPNUJAKP-SECBINFHSA-N 0 3 233.308 0.315 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)[C@@H]1CCCNC(=O)C1 ZINC000602615667 349637915 /nfs/dbraw/zinc/63/79/15/349637915.db2.gz RJPSAGRRYMFLFL-LYGAQUJYSA-N 0 3 246.376 0.354 20 0 BCADHN CC(C)c1nn(C)cc1NC(=O)[C@@H](C)N ZINC000300908785 259328466 /nfs/dbraw/zinc/32/84/66/259328466.db2.gz PQWSEWYVSMGJGX-SSDOTTSWSA-N 0 3 210.281 0.829 20 0 BCADHN C[C@@H](CO)N(CC(=O)N(C)C)C1CCCC1 ZINC000351627361 136248486 /nfs/dbraw/zinc/24/84/86/136248486.db2.gz ITNDXFMSCZSSQY-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1CO[C@H](C)C1 ZINC000402125078 259330255 /nfs/dbraw/zinc/33/02/55/259330255.db2.gz HXFJBAFOGRMEJQ-IVZWLZJFSA-N 0 3 235.349 0.577 20 0 BCADHN CC[C@H](N)C(=O)N1C2CCC1(C(=O)OC)CC2 ZINC000602596640 349644404 /nfs/dbraw/zinc/64/44/04/349644404.db2.gz CVZAZLBOZJQISZ-XEVUQIKYSA-N 0 3 240.303 0.420 20 0 BCADHN COC(=O)c1oc(CNC(=O)[C@@H](C)N)cc1C ZINC000602600711 349646504 /nfs/dbraw/zinc/64/65/04/349646504.db2.gz IIKSUYSMTLZABY-SSDOTTSWSA-N 0 3 240.259 0.338 20 0 BCADHN Cn1cncc1CNC[C@]1(O)CCSC1 ZINC000328675785 398326600 /nfs/dbraw/zinc/32/66/00/398326600.db2.gz RBKYYNRYKBAQQT-SNVBAGLBSA-N 0 3 227.333 0.378 20 0 BCADHN CC(C)[C@H]1CN(Cc2cnnn2C)CCN1C ZINC000351650909 136249116 /nfs/dbraw/zinc/24/91/16/136249116.db2.gz PSTRTQYVVMCKSX-GFCCVEGCSA-N 0 3 237.351 0.587 20 0 BCADHN COCCNCC(=O)NCC(C)(C)CCOC ZINC000234642126 342933120 /nfs/dbraw/zinc/93/31/20/342933120.db2.gz GSKWKVXDPBJZKE-UHFFFAOYSA-N 0 3 246.351 0.401 20 0 BCADHN CC[C@]1(O)CCN(CC(=O)N(C)C(C)C)C1 ZINC000495199417 529440717 /nfs/dbraw/zinc/44/07/17/529440717.db2.gz CPIGKPFNKCGDJU-LBPRGKRZSA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@]1(O)CCN(CCN2CCCC2=O)C1 ZINC000495199363 529441422 /nfs/dbraw/zinc/44/14/22/529441422.db2.gz FWVFWXYTSXBRBH-LBPRGKRZSA-N 0 3 226.320 0.456 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000494870185 529441869 /nfs/dbraw/zinc/44/18/69/529441869.db2.gz XTEVTMMIXVFPGH-UWVGGRQHSA-N 0 3 237.307 0.179 20 0 BCADHN CC[C@]1(O)CCN(C[C@H](O)C(F)(F)F)C1 ZINC000495244202 529442300 /nfs/dbraw/zinc/44/23/00/529442300.db2.gz RBASVGJVOFTNGH-YUMQZZPRSA-N 0 3 227.226 0.756 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](CC(C)C)C(=O)OC ZINC000490881394 529442690 /nfs/dbraw/zinc/44/26/90/529442690.db2.gz YGQFJDUVTKLEKV-ZJUUUORDSA-N 0 3 244.335 0.675 20 0 BCADHN CCC[C@H](C(=O)NC[C@H](O)C(F)F)N(C)C ZINC000354770638 398329971 /nfs/dbraw/zinc/32/99/71/398329971.db2.gz JXIRMMDTJPQEHG-SFYZADRCSA-N 0 3 238.278 0.459 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000650601787 398330327 /nfs/dbraw/zinc/33/03/27/398330327.db2.gz OJAZDFSXFGIZBF-TUAOUCFPSA-N 0 3 240.347 0.605 20 0 BCADHN COCCOC[C@@H](O)CNCc1ccoc1 ZINC000234734424 342940561 /nfs/dbraw/zinc/94/05/61/342940561.db2.gz JZDCXVZREIHJBF-NSHDSACASA-N 0 3 229.276 0.393 20 0 BCADHN CCN1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000011958333 346885754 /nfs/dbraw/zinc/88/57/54/346885754.db2.gz VVLZAEACHCQVHZ-JTQLQIEISA-N 0 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BCADHN COCCN(CC(C)C)C(=O)CNC1CC1 ZINC000037809117 398334435 /nfs/dbraw/zinc/33/44/35/398334435.db2.gz SIEQBTMCLGSCLL-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)CC(=O)N1CCCC1 ZINC000037818196 398334555 /nfs/dbraw/zinc/33/45/55/398334555.db2.gz BMLQNOXRVUTMPW-LLVKDONJSA-N 0 3 241.335 0.051 20 0 BCADHN O=C(CNC1CC1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000037820140 398334655 /nfs/dbraw/zinc/33/46/55/398334655.db2.gz MVWJRZGQTBNHAH-JTQLQIEISA-N 0 3 248.330 0.868 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)CC(=O)NCC ZINC000037821907 398334684 /nfs/dbraw/zinc/33/46/84/398334684.db2.gz BLFIRRQCWKOFGE-NSHDSACASA-N 0 3 229.324 0.098 20 0 BCADHN CCN(C[C@@H]1CCOC1)C(=O)CNC1CC1 ZINC000037827276 398334801 /nfs/dbraw/zinc/33/48/01/398334801.db2.gz RTQYDDYPCGHCFM-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN Cn1ncnc1CNCC1=CCN(C)CC1 ZINC000392758948 398335238 /nfs/dbraw/zinc/33/52/38/398335238.db2.gz ARBUINBSYPOMLQ-UHFFFAOYSA-N 0 3 221.308 0.167 20 0 BCADHN COC(=O)c1[nH]c(CN[C@H]2C[C@@H](O)C2)cc1C ZINC000602681855 349674326 /nfs/dbraw/zinc/67/43/26/349674326.db2.gz NVXAZGKJJOBXGO-WAAGHKOSSA-N 0 3 238.287 0.723 20 0 BCADHN Cn1nnc2cc(CN[C@@H]3CCOC3)ccc21 ZINC000643802569 398340268 /nfs/dbraw/zinc/34/02/68/398340268.db2.gz RJZHDRDEQIWENX-SNVBAGLBSA-N 0 3 232.287 0.847 20 0 BCADHN CC[C@@H]1[C@H](CO)CCN1C[C@@H]1CN(C)C(=O)O1 ZINC000496922374 529485666 /nfs/dbraw/zinc/48/56/66/529485666.db2.gz DMURALQHGSQAIG-GARJFASQSA-N 0 3 242.319 0.530 20 0 BCADHN C[C@H]1CN(C(=O)[C@H](N)C2CCC2)CCCO1 ZINC000335510237 398341685 /nfs/dbraw/zinc/34/16/85/398341685.db2.gz GQECOTZXFJQSHC-GXSJLCMTSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H](N)C2CCC2)CCCO1 ZINC000335510240 398341706 /nfs/dbraw/zinc/34/17/06/398341706.db2.gz GQECOTZXFJQSHC-ONGXEEELSA-N 0 3 226.320 0.751 20 0 BCADHN CSC[C@@H](O)CN1CCC[C@H]1C(=O)N(C)C ZINC000187728541 259332793 /nfs/dbraw/zinc/33/27/93/259332793.db2.gz LVMFSACDTMRGIU-UWVGGRQHSA-N 0 3 246.376 0.263 20 0 BCADHN CCn1ccnc1CNCCN1CC[C@H](O)C1 ZINC000623837041 342944276 /nfs/dbraw/zinc/94/42/76/342944276.db2.gz VJXPUDVNUVYZRG-NSHDSACASA-N 0 3 238.335 0.059 20 0 BCADHN COC[C@@](C)(CCO)NCc1[nH]ncc1C ZINC000289580800 398344042 /nfs/dbraw/zinc/34/40/42/398344042.db2.gz SQARVSFAGAFVSX-LLVKDONJSA-N 0 3 227.308 0.595 20 0 BCADHN CN(C)C1CN(c2ncc(Cl)cn2)C1 ZINC000095986695 398345090 /nfs/dbraw/zinc/34/50/90/398345090.db2.gz JQUCATSLBNEGLD-UHFFFAOYSA-N 0 3 212.684 0.880 20 0 BCADHN Cc1nn(CCN2CCCCC2)c2c1C(=O)NC2 ZINC000634592749 342946238 /nfs/dbraw/zinc/94/62/38/342946238.db2.gz SQXMJXFQUOIQHJ-UHFFFAOYSA-N 0 3 248.330 0.921 20 0 BCADHN O=C(C[C@@H]1CSCCN1)NCc1c[nH]cn1 ZINC000085614869 488189914 /nfs/dbraw/zinc/18/99/14/488189914.db2.gz OATJJLOGUSFYSA-MRVPVSSYSA-N 0 3 240.332 0.121 20 0 BCADHN CO[C@@H]1CCN([C@H]2CCCN(C)C2=O)C[C@H]1C ZINC000562545507 323024167 /nfs/dbraw/zinc/02/41/67/323024167.db2.gz DRKBHOUSDUBJKX-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CCC[C@@H](C)NC(=O)C[C@@H]1CNCCO1 ZINC000085618840 488190582 /nfs/dbraw/zinc/19/05/82/488190582.db2.gz ICMNHXNTUVMNDB-NXEZZACHSA-N 0 3 214.309 0.670 20 0 BCADHN CSCCNC(=O)C[C@H]1CSCCN1 ZINC000085614525 346897558 /nfs/dbraw/zinc/89/75/58/346897558.db2.gz SPNGNUSYLPAKQM-QMMMGPOBSA-N 0 3 234.390 0.561 20 0 BCADHN CNC(=O)c1cccc(CN2C[C@@H](C)[C@@H](O)C2)c1 ZINC000351778147 136253949 /nfs/dbraw/zinc/25/39/49/136253949.db2.gz HKAIYGIESGLVKA-MFKMUULPSA-N 0 3 248.326 0.859 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H](O)C[C@H]1C ZINC000351811382 136254569 /nfs/dbraw/zinc/25/45/69/136254569.db2.gz PSMVIAMATXBBTL-KKOKHZNYSA-N 0 3 240.347 0.841 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000037815395 342955307 /nfs/dbraw/zinc/95/53/07/342955307.db2.gz CININPICVKXOIB-GUBZILKMSA-N 0 3 212.293 0.504 20 0 BCADHN COC[C@H](N[C@@H]1CCO[C@@H]1C(=O)OC)C1CC1 ZINC000602712279 349704900 /nfs/dbraw/zinc/70/49/00/349704900.db2.gz YRJVNUCXGKPBSB-VWYCJHECSA-N 0 3 243.303 0.332 20 0 BCADHN CC[C@@H]1[C@@H](C)CCN1CCS(=O)(=O)N(C)C ZINC000351835029 136256619 /nfs/dbraw/zinc/25/66/19/136256619.db2.gz VZADNZOQAXCEIW-WDEREUQCSA-N 0 3 248.392 0.998 20 0 BCADHN COC(=O)c1[nH]c(CNC/C=C\CO)cc1C ZINC000602708448 349701806 /nfs/dbraw/zinc/70/18/06/349701806.db2.gz FMORQCDWLURYME-ARJAWSKDSA-N 0 3 238.287 0.748 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H]1CS[C@@H](C)C1 ZINC000602708366 349702032 /nfs/dbraw/zinc/70/20/32/349702032.db2.gz DSCYRRNQVDNJPG-QCLAVDOMSA-N 0 3 245.344 0.801 20 0 BCADHN COC(=O)[C@H]1OCC[C@H]1N[C@@H](C)[C@H](C)OC ZINC000602711648 349703798 /nfs/dbraw/zinc/70/37/98/349703798.db2.gz UDNNFUFSYMAREA-QEYWKRMJSA-N 0 3 231.292 0.330 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H](C)[C@@H]1CCCO1 ZINC000602712009 349703900 /nfs/dbraw/zinc/70/39/00/349703900.db2.gz WMLQAVIRXYSGIN-VPOLOUISSA-N 0 3 243.303 0.474 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H](O)C[C@@H]1C ZINC000351816594 136255441 /nfs/dbraw/zinc/25/54/41/136255441.db2.gz TZNNXEMGCXNRTJ-VHSXEESVSA-N 0 3 214.309 0.310 20 0 BCADHN CC[C@@H](F)CN1C[C@H](OC)C[C@H]1CO ZINC000496556443 529553419 /nfs/dbraw/zinc/55/34/19/529553419.db2.gz YJMJZUVHQBXMEY-KXUCPTDWSA-N 0 3 205.273 0.816 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000129677995 344019641 /nfs/dbraw/zinc/01/96/41/344019641.db2.gz TVZNTZFXDPLQCI-MRVPVSSYSA-N 0 3 249.270 0.807 20 0 BCADHN CC[C@@]1(O)CCN(CC(=O)N(C)C(C)C)C1 ZINC000495199416 529572149 /nfs/dbraw/zinc/57/21/49/529572149.db2.gz CPIGKPFNKCGDJU-GFCCVEGCSA-N 0 3 228.336 0.700 20 0 BCADHN COC(=O)[C@H]1CCN(CCc2cncn2C)C1 ZINC000602765947 349722053 /nfs/dbraw/zinc/72/20/53/349722053.db2.gz NFGIGLLNWCIGNG-JTQLQIEISA-N 0 3 237.303 0.458 20 0 BCADHN COC(=O)CNC(=O)CN[C@H]1CCC12CCC2 ZINC000602748986 349711545 /nfs/dbraw/zinc/71/15/45/349711545.db2.gz IREYQRGZJIFUJQ-VIFPVBQESA-N 0 3 240.303 0.198 20 0 BCADHN CC[C@@]1(O)CCN(C(=O)/C=C/CN(C)C)C1 ZINC000492720228 529565094 /nfs/dbraw/zinc/56/50/94/529565094.db2.gz PNPHZRPKKPTBEU-BTDICHCPSA-N 0 3 226.320 0.478 20 0 BCADHN Cc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2)cc1C ZINC000020434459 342985154 /nfs/dbraw/zinc/98/51/54/342985154.db2.gz JXOIFWYROAZYQN-RYUDHWBXSA-N 0 3 234.299 0.965 20 0 BCADHN Cc1ccc(NC(=O)[C@H]2C[C@H](O)CN2)cc1C ZINC000020434460 342985318 /nfs/dbraw/zinc/98/53/18/342985318.db2.gz JXOIFWYROAZYQN-NWDGAFQWSA-N 0 3 234.299 0.965 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@@H]1COC[C@@H]1O ZINC000602726776 349715863 /nfs/dbraw/zinc/71/58/63/349715863.db2.gz ZAQAGLFXOPVXKW-UYXSQOIJSA-N 0 3 203.307 0.230 20 0 BCADHN CC[C@H](N[C@H]1CCN(C)C1=O)[C@@H]1CCCO1 ZINC000248611052 323027289 /nfs/dbraw/zinc/02/72/89/323027289.db2.gz QHZPJQNWJZFDTJ-DCAQKATOSA-N 0 3 226.320 0.764 20 0 BCADHN CCN(C#N)CCN1C[C@H](C)N(C)C[C@@H]1C ZINC000602798504 349739613 /nfs/dbraw/zinc/73/96/13/349739613.db2.gz OPBFMESHWQKCSN-RYUDHWBXSA-N 0 3 224.352 0.814 20 0 BCADHN CCN(C#N)CCN1CCN(C)CC1(C)C ZINC000602800055 349740654 /nfs/dbraw/zinc/74/06/54/349740654.db2.gz PLQJEMHHLFOFIG-UHFFFAOYSA-N 0 3 224.352 0.815 20 0 BCADHN c1cnc(N2CCN(C[C@H]3CCOC3)CC2)nn1 ZINC000625640912 344022750 /nfs/dbraw/zinc/02/27/50/344022750.db2.gz WHMPOYSUWNPHCU-LLVKDONJSA-N 0 3 249.318 0.030 20 0 BCADHN CCN(C#N)CCN1C[C@@H](C(N)=O)CC[C@H]1C ZINC000602772190 349726129 /nfs/dbraw/zinc/72/61/29/349726129.db2.gz KZBNGUNDNJDQSQ-MNOVXSKESA-N 0 3 238.335 0.375 20 0 BCADHN CCCCN(CCO)CCN(C#N)CC ZINC000602772208 349726701 /nfs/dbraw/zinc/72/67/01/349726701.db2.gz LBDBCYRSKRBFRU-UHFFFAOYSA-N 0 3 213.325 0.884 20 0 BCADHN CCN(C#N)CCN[C@@H](C)Cn1cccn1 ZINC000602775197 349728667 /nfs/dbraw/zinc/72/86/67/349728667.db2.gz JJCLQOXCLGTYKX-NSHDSACASA-N 0 3 221.308 0.664 20 0 BCADHN NC1(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)CCC1 ZINC000638696592 352534706 /nfs/dbraw/zinc/53/47/06/352534706.db2.gz VHRIZYDTVOKFPU-UWVGGRQHSA-N 0 3 224.304 0.552 20 0 BCADHN CCNC(=O)CN(CC)C[C@H](C)COC ZINC000189570690 346915554 /nfs/dbraw/zinc/91/55/54/346915554.db2.gz BRXGLVULRQCZKC-JTQLQIEISA-N 0 3 216.325 0.727 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1(N)CC1 ZINC000335905499 136260682 /nfs/dbraw/zinc/26/06/82/136260682.db2.gz MAGUJEHOHJRTPC-PSASIEDQSA-N 0 3 223.320 0.077 20 0 BCADHN CN(C(=O)[C@@H]1C[C@@H]1N)[C@H]1CCSC1 ZINC000050458406 343022019 /nfs/dbraw/zinc/02/20/19/343022019.db2.gz JNWXKLMHCQKSGY-RNJXMRFFSA-N 0 3 200.307 0.298 20 0 BCADHN CCCNC(=O)CN(CCC)C(=O)[C@@H]1C[C@@H]1N ZINC000050462858 343022291 /nfs/dbraw/zinc/02/22/91/343022291.db2.gz KIZPURAZICVDDO-ZJUUUORDSA-N 0 3 241.335 0.098 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000050460583 343022306 /nfs/dbraw/zinc/02/23/06/343022306.db2.gz YCFPGIPOKAQGFL-DTWKUNHWSA-N 0 3 234.255 0.379 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000050465276 343022710 /nfs/dbraw/zinc/02/27/10/343022710.db2.gz BSXHVXKXJHMFHU-WDEREUQCSA-N 0 3 220.272 0.529 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(C)=O ZINC000602809451 349753161 /nfs/dbraw/zinc/75/31/61/349753161.db2.gz IOEFSTHWQCEHIN-DTWKUNHWSA-N 0 3 201.266 0.753 20 0 BCADHN CCN(C#N)CCN[C@H]1CCOC1(C)C ZINC000602837762 349777409 /nfs/dbraw/zinc/77/74/09/349777409.db2.gz ZYUOQZFXFBYFJX-JTQLQIEISA-N 0 3 211.309 0.946 20 0 BCADHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(C)=O ZINC000602840301 349778356 /nfs/dbraw/zinc/77/83/56/349778356.db2.gz NAYPRYHVVRDONB-ZJUUUORDSA-N 0 3 213.277 0.897 20 0 BCADHN NS(=O)(=O)[C@@H]1CCN(CC2CCCC2)C1 ZINC000335909861 136262102 /nfs/dbraw/zinc/26/21/02/136262102.db2.gz PIFOSQWJTGNNGK-SNVBAGLBSA-N 0 3 232.349 0.539 20 0 BCADHN CNC(=O)CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000336626618 136264426 /nfs/dbraw/zinc/26/44/26/136264426.db2.gz RKOZSTCFUZPINM-UWVGGRQHSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@@H](CNCc1csnn1)N(C)C ZINC000038087807 343060104 /nfs/dbraw/zinc/06/01/04/343060104.db2.gz OCOGGMFIPJYKFJ-ZETCQYMHSA-N 0 3 200.311 0.578 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1C[C@@H]1N ZINC000576862304 365705078 /nfs/dbraw/zinc/70/50/78/365705078.db2.gz ZNNXJQVLXXLKEJ-JEZHCXPESA-N 0 3 234.303 0.261 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(Cl)nn1)N(C)C ZINC000038108654 343068334 /nfs/dbraw/zinc/06/83/34/343068334.db2.gz GIEGJBQWLHTMEI-ZETCQYMHSA-N 0 3 242.710 0.810 20 0 BCADHN Nc1ccccc1NC(=O)C[C@H]1CNCCO1 ZINC000119290746 343071177 /nfs/dbraw/zinc/07/11/77/343071177.db2.gz ARSDZDBUGSIOLJ-VIFPVBQESA-N 0 3 235.287 0.586 20 0 BCADHN CC[C@@H](O)CN1CCN(C(C)C)CC1 ZINC000037694118 343075168 /nfs/dbraw/zinc/07/51/68/343075168.db2.gz DCGHZUFKBGGPHD-LLVKDONJSA-N 0 3 200.326 0.783 20 0 BCADHN Cn1cc([C@H](CO)NC2CCCC2)cn1 ZINC000038122990 343075875 /nfs/dbraw/zinc/07/58/75/343075875.db2.gz WRPJZNGWHNOMRR-NSHDSACASA-N 0 3 209.293 0.986 20 0 BCADHN C[C@@H](NC(=O)NC[C@H]1CNCCO1)C1CCC1 ZINC000669545049 488199292 /nfs/dbraw/zinc/19/92/92/488199292.db2.gz WQUOTORRQQBAGL-MWLCHTKSSA-N 0 3 241.335 0.463 20 0 BCADHN C[C@@H](CNC(=O)c1ccncc1)N(C)C ZINC000046275716 343108434 /nfs/dbraw/zinc/10/84/34/343108434.db2.gz MKKLMHOSNMZATG-VIFPVBQESA-N 0 3 207.277 0.762 20 0 BCADHN C[C@@H](NC(=O)NC[C@@H]1CNCCO1)C1CCC1 ZINC000669545048 488199503 /nfs/dbraw/zinc/19/95/03/488199503.db2.gz WQUOTORRQQBAGL-KOLCDFICSA-N 0 3 241.335 0.463 20 0 BCADHN NC1(C(=O)N2CCc3c(O)cccc3C2)CC1 ZINC000638696902 352535199 /nfs/dbraw/zinc/53/51/99/352535199.db2.gz HMZXYJBQGKTMKU-UHFFFAOYSA-N 0 3 232.283 0.768 20 0 BCADHN CC[C@@H](C)Cn1cc(C[C@H](N)COC)nn1 ZINC000640939846 362079750 /nfs/dbraw/zinc/07/97/50/362079750.db2.gz FSQUMZTVPOFDIM-ZJUUUORDSA-N 0 3 226.324 0.840 20 0 BCADHN CC[C@@H](C)n1cc(Cn2cc(CN)cn2)nn1 ZINC000640938115 362080912 /nfs/dbraw/zinc/08/09/12/362080912.db2.gz NMVVQBDFKKTXNC-SECBINFHSA-N 0 3 234.307 0.953 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)c1cn(C)nc1C ZINC000236863094 343113666 /nfs/dbraw/zinc/11/36/66/343113666.db2.gz MLQCQVVUVDDHAU-GMSGAONNSA-N 0 3 224.308 0.643 20 0 BCADHN CCO[C@H](CC)C(=O)NCCNCCOC ZINC000236931818 343115692 /nfs/dbraw/zinc/11/56/92/343115692.db2.gz FZPNSJFUBVVHMC-SNVBAGLBSA-N 0 3 232.324 0.154 20 0 BCADHN CNCC(=O)NCCc1ccc(C)nc1 ZINC000237227844 343131567 /nfs/dbraw/zinc/13/15/67/343131567.db2.gz OLFWUQMCIYUESM-UHFFFAOYSA-N 0 3 207.277 0.268 20 0 BCADHN Cc1ccc(C(=O)N2CCN(C)C[C@H]2CN)o1 ZINC000120767370 343132205 /nfs/dbraw/zinc/13/22/05/343132205.db2.gz GSUCXPUTASXGDD-SNVBAGLBSA-N 0 3 237.303 0.303 20 0 BCADHN COC(=O)CCCN(C)CCNC(C)=O ZINC000050065357 343134035 /nfs/dbraw/zinc/13/40/35/343134035.db2.gz OEZLIRPDTPGIEP-UHFFFAOYSA-N 0 3 216.281 0.008 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000127692335 343179129 /nfs/dbraw/zinc/17/91/29/343179129.db2.gz DIAZVWHEBGIBNF-NXEZZACHSA-N 0 3 236.319 0.457 20 0 BCADHN Cn1ncnc1NC(=O)c1ccc2c(c1)CNC2 ZINC000131205443 343182965 /nfs/dbraw/zinc/18/29/65/343182965.db2.gz MMAZMNKGMUOHCB-UHFFFAOYSA-N 0 3 243.270 0.671 20 0 BCADHN CC(C)NCC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000638696903 352535413 /nfs/dbraw/zinc/53/54/13/352535413.db2.gz WDQYJMTXYDXMCQ-GHMZBOCLSA-N 0 3 226.320 0.668 20 0 BCADHN Cc1nsc(NC(=O)[C@@H](N)C(C)C)n1 ZINC000131776450 343184344 /nfs/dbraw/zinc/18/43/44/343184344.db2.gz BKHBDBRWGDQTNA-LURJTMIESA-N 0 3 214.294 0.768 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NCC(=O)NC1CCCC1 ZINC000129633357 343184608 /nfs/dbraw/zinc/18/46/08/343184608.db2.gz QBOMDLPKQMSELC-GHMZBOCLSA-N 0 3 240.347 0.794 20 0 BCADHN O=C(C[C@@H]1CCCCO1)NC[C@H]1CNCCO1 ZINC000095031633 343154361 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WRIKLJVPZCOHNG-CPFSXVBKSA-N 0 3 201.295 0.266 20 0 BCADHN CC(C)(O)CNC(=O)C1CCN(C2CC2)CC1 ZINC000408369218 133478828 /nfs/dbraw/zinc/47/88/28/133478828.db2.gz SZUGTSJJSVIKPE-UHFFFAOYSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000040430931 343402403 /nfs/dbraw/zinc/40/24/03/343402403.db2.gz XFYBZUXCROCCGL-JQWIXIFHSA-N 0 3 235.331 0.753 20 0 BCADHN C[C@H](Cn1cccn1)NC(=O)[C@@H](N)C(C)(C)C ZINC000040462013 343404367 /nfs/dbraw/zinc/40/43/67/343404367.db2.gz ZVHZUOFFELSIEO-NXEZZACHSA-N 0 3 238.335 0.761 20 0 BCADHN C[C@H](N)C(=O)NCc1cccc2c1OCO2 ZINC000040667799 343407956 /nfs/dbraw/zinc/40/79/56/343407956.db2.gz YMLRUKVDKQOBBC-ZETCQYMHSA-N 0 3 222.244 0.379 20 0 BCADHN CN1C[C@@H](NC[C@H](O)CC2CCCC2)CC1=O ZINC000310309181 343423661 /nfs/dbraw/zinc/42/36/61/343423661.db2.gz WCYQZBGUBNKXPH-NWDGAFQWSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1c([C@@H](C)NC(=O)C(C)(C)N)cnn1C ZINC000040921100 343411242 /nfs/dbraw/zinc/41/12/42/343411242.db2.gz QPFZUVRIZAADGV-SSDOTTSWSA-N 0 3 224.308 0.643 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCn1ccnc1 ZINC000041051012 343414236 /nfs/dbraw/zinc/41/42/36/343414236.db2.gz ZQGWFZXBTHYSAL-JTQLQIEISA-N 0 3 224.308 0.373 20 0 BCADHN C[C@@H](O)CNCc1cc(=O)n2ccccc2n1 ZINC000048694398 343419389 /nfs/dbraw/zinc/41/93/89/343419389.db2.gz LQLQIYSGBWULOB-SECBINFHSA-N 0 3 233.271 0.165 20 0 BCADHN O=C(CCOC1CNC1)NC1CCSCC1 ZINC000349031745 136320139 /nfs/dbraw/zinc/32/01/39/136320139.db2.gz VNQBLAWZFCVBGA-UHFFFAOYSA-N 0 3 244.360 0.377 20 0 BCADHN Cn1cncc1CNCCn1ccnc1 ZINC000082393913 343440780 /nfs/dbraw/zinc/44/07/80/343440780.db2.gz RORQAFHXESBEFJ-UHFFFAOYSA-N 0 3 205.265 0.406 20 0 BCADHN CC[C@H](N)c1cn([C@@H]2CCCN(C)C2=O)nn1 ZINC000641085180 362208686 /nfs/dbraw/zinc/20/86/86/362208686.db2.gz CFTLLVTXZNEDQI-WCBMZHEXSA-N 0 3 237.307 0.481 20 0 BCADHN C[C@H]1CC[C@@H](N(C)CC(=O)NC(N)=O)C1 ZINC000335816966 136352673 /nfs/dbraw/zinc/35/26/73/136352673.db2.gz AQBWVAPWOFREJR-JGVFFNPUSA-N 0 3 213.281 0.302 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)[C@@H](O)C3CC3)[C@@H]2C1 ZINC000616419706 343429887 /nfs/dbraw/zinc/42/98/87/343429887.db2.gz XILQVERWYRJRON-TUAOUCFPSA-N 0 3 238.331 0.310 20 0 BCADHN COCCNCCNC(=O)[C@H](C)C(F)(F)F ZINC000349211852 136331886 /nfs/dbraw/zinc/33/18/86/136331886.db2.gz ZWXBFNDEYSEFSZ-ZETCQYMHSA-N 0 3 242.241 0.537 20 0 BCADHN c1nc(CN2CCN3CCC2CC3)co1 ZINC000349272554 136333358 /nfs/dbraw/zinc/33/33/58/136333358.db2.gz AJNKJPIEGXLTDZ-UHFFFAOYSA-N 0 3 207.277 0.955 20 0 BCADHN NC1(C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000335700457 136333678 /nfs/dbraw/zinc/33/36/78/136333678.db2.gz ZUAYLUAGZTVWIY-UHFFFAOYSA-N 0 3 231.299 0.762 20 0 BCADHN CC[C@@H](N)c1cn(Cc2ccnn2C)nn1 ZINC000641092971 362220145 /nfs/dbraw/zinc/22/01/45/362220145.db2.gz ZPTDUNUOCXTWFG-SECBINFHSA-N 0 3 220.280 0.470 20 0 BCADHN Cc1ncc(NC(=O)N[C@H](C)CN(C)C)cn1 ZINC000349285949 136335627 /nfs/dbraw/zinc/33/56/27/136335627.db2.gz NGVLKYMSFCNFQO-MRVPVSSYSA-N 0 3 237.307 0.857 20 0 BCADHN C[C@@H]1C[C@@H](N(C)C(=O)C2(O)CCC2)CCN1C ZINC000335707626 136336428 /nfs/dbraw/zinc/33/64/28/136336428.db2.gz FQUJWVRAODAOBO-MNOVXSKESA-N 0 3 240.347 0.843 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2ccnn2C)nn1 ZINC000641092240 362218398 /nfs/dbraw/zinc/21/83/98/362218398.db2.gz GNQUDEOTHNBWOW-SNVBAGLBSA-N 0 3 234.307 0.860 20 0 BCADHN C[C@H](O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000335709108 136337043 /nfs/dbraw/zinc/33/70/43/136337043.db2.gz NUWUVCVOXAQKDT-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@H](O)[C@H](CC)NC(=O)/C=C/CN(C)C ZINC000493370908 529710147 /nfs/dbraw/zinc/71/01/47/529710147.db2.gz QEYOAKZNBFBONG-IJUHFESZSA-N 0 3 228.336 0.770 20 0 BCADHN CC(C)[C@H](O)Cn1cc(CCN(C)C)nn1 ZINC000641081113 362196249 /nfs/dbraw/zinc/19/62/49/362196249.db2.gz BVLJNIULIQEFGS-LLVKDONJSA-N 0 3 226.324 0.399 20 0 BCADHN CC[C@@H](Cn1cc(CCN(C)C)nn1)OC ZINC000641081273 362198210 /nfs/dbraw/zinc/19/82/10/362198210.db2.gz OKYGYNVANHODOB-NSHDSACASA-N 0 3 226.324 0.807 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000367087966 136341843 /nfs/dbraw/zinc/34/18/43/136341843.db2.gz RVPXPWSSQQEUBR-UTUOFQBUSA-N 0 3 237.347 0.291 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCC[C@H]2COC[C@H]21 ZINC000367088892 136342359 /nfs/dbraw/zinc/34/23/59/136342359.db2.gz YJCGOBQTIKJSTM-SJCWFQRBSA-N 0 3 238.331 0.742 20 0 BCADHN COC(C)(C)CNC(=O)N(C)CCN(C)C ZINC000176420253 365743069 /nfs/dbraw/zinc/74/30/69/365743069.db2.gz IOUNJHDGLJFWJS-UHFFFAOYSA-N 0 3 231.340 0.614 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCCC1 ZINC000135015205 343446824 /nfs/dbraw/zinc/44/68/24/343446824.db2.gz YYTUYGJMPAXDHA-VIFPVBQESA-N 0 3 201.266 0.396 20 0 BCADHN CC[C@H](N)C(=O)N(C)C[C@@H]1CCCOC1 ZINC000082545363 343447128 /nfs/dbraw/zinc/44/71/28/343447128.db2.gz MFQLXFGLUDEOAE-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN CO[C@@H](C(=O)NCCN(C)C)C(C)C ZINC000350069809 136354171 /nfs/dbraw/zinc/35/41/71/136354171.db2.gz HMAMXFXIQDDHEK-SECBINFHSA-N 0 3 202.298 0.335 20 0 BCADHN CN(C[C@@H]1CCCOC1)C(=O)C(C)(C)N ZINC000082545427 343447580 /nfs/dbraw/zinc/44/75/80/343447580.db2.gz QASSGSGZANZQMJ-VIFPVBQESA-N 0 3 214.309 0.609 20 0 BCADHN CNCC(=O)N(C)C[C@H]1CCCOC1 ZINC000082545452 343447594 /nfs/dbraw/zinc/44/75/94/343447594.db2.gz DYBPFLSZXXTDJK-SECBINFHSA-N 0 3 200.282 0.091 20 0 BCADHN CCC[C@H](N)c1cn(Cc2n[nH]c(CC)n2)nn1 ZINC000641157957 362243011 /nfs/dbraw/zinc/24/30/11/362243011.db2.gz COIJKJWCTBMOPT-QMMMGPOBSA-N 0 3 249.322 0.807 20 0 BCADHN O=C1NCCCC[C@H]1N1CCC2(CCO2)CC1 ZINC000367103338 136356848 /nfs/dbraw/zinc/35/68/48/136356848.db2.gz ZZOFFJXMJBHXCM-LLVKDONJSA-N 0 3 238.331 0.910 20 0 BCADHN CCc1nc(Cn2cc([C@H](C)NC)nn2)n[nH]1 ZINC000641158838 362244165 /nfs/dbraw/zinc/24/41/65/362244165.db2.gz XLTMLRYRFJNJKH-ZETCQYMHSA-N 0 3 235.295 0.287 20 0 BCADHN CCc1nnc(Cn2cc([C@H](C)NC)nn2)[nH]1 ZINC000641158838 362244167 /nfs/dbraw/zinc/24/41/67/362244167.db2.gz XLTMLRYRFJNJKH-ZETCQYMHSA-N 0 3 235.295 0.287 20 0 BCADHN C[C@H](O)CCn1cc(CCN(C)C)nn1 ZINC000641095072 362221738 /nfs/dbraw/zinc/22/17/38/362221738.db2.gz UWKAJAQSBDJUJW-VIFPVBQESA-N 0 3 212.297 0.153 20 0 BCADHN CC[C@@H](N)c1cn([C@@H]2CON(CC)C2=O)nn1 ZINC000641094708 362221786 /nfs/dbraw/zinc/22/17/86/362221786.db2.gz BIFQQGLSNHYNJD-VXNVDRBHSA-N 0 3 239.279 0.023 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)C1(N)CCC1 ZINC000576987181 365744058 /nfs/dbraw/zinc/74/40/58/365744058.db2.gz XSISPBXQUOWOBN-YUMQZZPRSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000576986714 365744608 /nfs/dbraw/zinc/74/46/08/365744608.db2.gz WCABEJNEQXVWJO-APPZFPTMSA-N 0 3 208.265 0.420 20 0 BCADHN CC[C@@H](N)c1cn(C[C@H](COC)OC)nn1 ZINC000641106456 362226756 /nfs/dbraw/zinc/22/67/56/362226756.db2.gz LTJQPXZPSTZVFM-RKDXNWHRSA-N 0 3 228.296 0.349 20 0 BCADHN COC[C@H](Cn1cc([C@H](N)C(C)C)nn1)OC ZINC000641108427 362226992 /nfs/dbraw/zinc/22/69/92/362226992.db2.gz OSHRJPRZRMVMGP-GXSJLCMTSA-N 0 3 242.323 0.595 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@@H]1C[C@@H]1C ZINC000351063618 136367228 /nfs/dbraw/zinc/36/72/28/136367228.db2.gz NBBIKUIFVUFTDV-AEJSXWLSSA-N 0 3 213.325 0.892 20 0 BCADHN CNC(=O)[C@H](NCCc1ccncc1)C(C)C ZINC000351576002 136369410 /nfs/dbraw/zinc/36/94/10/136369410.db2.gz UZDSLCFFRGHBTK-GFCCVEGCSA-N 0 3 235.331 0.984 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCc1ccnn1C ZINC000351577532 136369527 /nfs/dbraw/zinc/36/95/27/136369527.db2.gz ASAQSLIRAQIWQD-SECBINFHSA-N 0 3 239.323 0.169 20 0 BCADHN OC[C@@H]1CCN(C[C@H](O)C(F)(F)F)C1 ZINC000082681449 343459907 /nfs/dbraw/zinc/45/99/07/343459907.db2.gz ISZMXOSYHYOIOC-RQJHMYQMSA-N 0 3 213.199 0.224 20 0 BCADHN Cc1ncc(CN2C[C@H](C(N)=O)CC[C@H]2C)cn1 ZINC000351608217 136370280 /nfs/dbraw/zinc/37/02/80/136370280.db2.gz NWUWGPONDBDZQC-BXKDBHETSA-N 0 3 248.330 0.871 20 0 BCADHN CC[C@@H](N)C(=O)NCCOCC(F)(F)F ZINC000082627846 343457209 /nfs/dbraw/zinc/45/72/09/343457209.db2.gz HGCYBROTRUYTFZ-ZCFIWIBFSA-N 0 3 228.214 0.419 20 0 BCADHN COC(=O)CCCN1C[C@@H](C)[C@@H](O)C1 ZINC000351809429 136370783 /nfs/dbraw/zinc/37/07/83/136370783.db2.gz LOWHBUULENJNAB-BDAKNGLRSA-N 0 3 201.266 0.252 20 0 BCADHN CN1CC[C@@H](C(=O)N2CC[C@H](O)C2(C)C)C1 ZINC000258967466 136373999 /nfs/dbraw/zinc/37/39/99/136373999.db2.gz COKZIRMDHNTSDB-ZJUUUORDSA-N 0 3 226.320 0.310 20 0 BCADHN COC(=O)CCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000258985524 136374348 /nfs/dbraw/zinc/37/43/48/136374348.db2.gz PZRLNMYQLUFFTF-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN Cc1cc(NC(=O)[C@H](N)C2CCC2)n(C)n1 ZINC000335654311 136376308 /nfs/dbraw/zinc/37/63/08/136376308.db2.gz RYELDFDSDNGNCC-SNVBAGLBSA-N 0 3 222.292 0.794 20 0 BCADHN O=C([C@@H]1CCCCN1)N1CCc2n[nH]cc2C1 ZINC000335655249 136376359 /nfs/dbraw/zinc/37/63/59/136376359.db2.gz AWLZNKBSUBOARX-NSHDSACASA-N 0 3 234.303 0.437 20 0 BCADHN CC[C@@H](N)c1cn(Cc2ncc(C)cn2)nn1 ZINC000641145415 362237965 /nfs/dbraw/zinc/23/79/65/362237965.db2.gz IJYVXCYSSCIHIC-SECBINFHSA-N 0 3 232.291 0.835 20 0 BCADHN CSCCC(=O)N1C[C@H](C)NC[C@H]1C ZINC000083118331 343473583 /nfs/dbraw/zinc/47/35/83/343473583.db2.gz IZKVNRSUPCBGQS-DTWKUNHWSA-N 0 3 216.350 0.948 20 0 BCADHN C[C@@H]1CN(C(=O)c2cscn2)[C@@H](C)CN1 ZINC000083118138 343473589 /nfs/dbraw/zinc/47/35/89/343473589.db2.gz ZQQHFXCRPQJYIQ-SFYZADRCSA-N 0 3 225.317 0.966 20 0 BCADHN CCOCCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000083118358 343473591 /nfs/dbraw/zinc/47/35/91/343473591.db2.gz SRUXRLGZPNOKSA-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN Cn1cc(CCN2CC[C@@H](CO)C2)cn1 ZINC000083119749 343474050 /nfs/dbraw/zinc/47/40/50/343474050.db2.gz YRIKGBAURCRAPI-LLVKDONJSA-N 0 3 209.293 0.277 20 0 BCADHN C[C@@H](CNC(=O)C1(CF)CCOCC1)N(C)C ZINC000616489155 343474976 /nfs/dbraw/zinc/47/49/76/343474976.db2.gz OVSLWVDNEIBJOU-JTQLQIEISA-N 0 3 246.326 0.819 20 0 BCADHN C[C@@H](CNC(=O)C(C)(C)c1c[nH]cn1)N(C)C ZINC000616488989 343475173 /nfs/dbraw/zinc/47/51/73/343475173.db2.gz HHZVUGCKBWVYOA-VIFPVBQESA-N 0 3 238.335 0.754 20 0 BCADHN C[C@@H]1CCNC[C@@H]1NS(=O)(=O)CC1CC1 ZINC000083140213 343477912 /nfs/dbraw/zinc/47/79/12/343477912.db2.gz HRBJHLCBRPHBCX-SCZZXKLOSA-N 0 3 232.349 0.314 20 0 BCADHN COCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC000582130624 346942702 /nfs/dbraw/zinc/94/27/02/346942702.db2.gz JEQCCIIJVFEWGX-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CNC(=O)NC(=O)CCN(C)Cc1ccccc1 ZINC000044069917 343490752 /nfs/dbraw/zinc/49/07/52/343490752.db2.gz YNGUYVHFBJHWMD-UHFFFAOYSA-N 0 3 249.314 0.964 20 0 BCADHN COC(=O)CCCN1CC[C@@H](C(=O)OC)C1 ZINC000083662627 343494683 /nfs/dbraw/zinc/49/46/83/343494683.db2.gz RDBMJTKGCWAIDO-SECBINFHSA-N 0 3 229.276 0.435 20 0 BCADHN CN[C@@H](C)C(=O)N1CCOC[C@@H]1CC(C)C ZINC000577006271 365754200 /nfs/dbraw/zinc/75/42/00/365754200.db2.gz PSILYWKDYLHPRH-QWRGUYRKSA-N 0 3 228.336 0.868 20 0 BCADHN c1cnc(N2CCN(C[C@@H]3CCOC3)CC2)cn1 ZINC000047717604 343468546 /nfs/dbraw/zinc/46/85/46/343468546.db2.gz HHWFBKGGEQBDEO-LBPRGKRZSA-N 0 3 248.330 0.635 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCC[C@@H](C)O ZINC000082995762 343470573 /nfs/dbraw/zinc/47/05/73/343470573.db2.gz BMWSUTCRKOJBRS-BDAKNGLRSA-N 0 3 202.298 0.247 20 0 BCADHN Cc1ccc(C(=O)NC[C@H](C)N(C)C)nn1 ZINC000616486690 343471623 /nfs/dbraw/zinc/47/16/23/343471623.db2.gz COHNLDRKRLIDEQ-VIFPVBQESA-N 0 3 222.292 0.465 20 0 BCADHN CO[C@H]1CC[C@@H](C(=O)NC[C@H](C)N(C)C)C1 ZINC000616486714 343471696 /nfs/dbraw/zinc/47/16/96/343471696.db2.gz DHFYODFICBGMJP-AXFHLTTASA-N 0 3 228.336 0.868 20 0 BCADHN CO[C@@H]1CC[C@@H](C(=O)NC[C@H](C)N(C)C)C1 ZINC000616486717 343471888 /nfs/dbraw/zinc/47/18/88/343471888.db2.gz DHFYODFICBGMJP-HBNTYKKESA-N 0 3 228.336 0.868 20 0 BCADHN CO[C@H]1CC[C@H](C(=O)NC[C@H](C)N(C)C)C1 ZINC000616486715 343471902 /nfs/dbraw/zinc/47/19/02/343471902.db2.gz DHFYODFICBGMJP-DCAQKATOSA-N 0 3 228.336 0.868 20 0 BCADHN CCCN1CCCC[C@@H]1CNS(C)(=O)=O ZINC000047718801 343472232 /nfs/dbraw/zinc/47/22/32/343472232.db2.gz PNIWDPFCBVTTLQ-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN C[C@@H](CNC(=O)c1ncnc2[nH]ccc21)N(C)C ZINC000616487078 343472479 /nfs/dbraw/zinc/47/24/79/343472479.db2.gz OKJYQPQCCLZVPM-QMMMGPOBSA-N 0 3 247.302 0.589 20 0 BCADHN CO[C@H](C(=O)NC[C@H](C)N(C)C)[C@H]1CCOC1 ZINC000616486804 343472486 /nfs/dbraw/zinc/47/24/86/343472486.db2.gz 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529821395 /nfs/dbraw/zinc/82/13/95/529821395.db2.gz JKYOLMQWFBMGAW-JDGPPOGSSA-N 0 3 231.299 0.915 20 0 BCADHN O=C1C[C@H](NCC2=CCCOC2)CN1C1CC1 ZINC000127705267 343742838 /nfs/dbraw/zinc/74/28/38/343742838.db2.gz XLEXTYNVAULHSG-NSHDSACASA-N 0 3 236.315 0.686 20 0 BCADHN CN1C[C@H](CN2CCC[C@@](C)(O)C2)OC1=O ZINC000496772690 529825137 /nfs/dbraw/zinc/82/51/37/529825137.db2.gz NFQKRGRSAYGYQM-MWLCHTKSSA-N 0 3 228.292 0.284 20 0 BCADHN CN(C(=O)CNC1CC1)c1nccs1 ZINC000154217661 343712609 /nfs/dbraw/zinc/71/26/09/343712609.db2.gz KMOBPVQQIRTKRQ-UHFFFAOYSA-N 0 3 211.290 0.858 20 0 BCADHN C[C@]1(CNC(=O)CNC2CC2)CCCC[C@@H]1O ZINC000154450970 343715599 /nfs/dbraw/zinc/71/55/99/343715599.db2.gz TVLRFVYLVSSVDA-WCQYABFASA-N 0 3 240.347 0.796 20 0 BCADHN CCSCCNC1(C(N)=O)CCOCC1 ZINC000380291600 343720875 /nfs/dbraw/zinc/72/08/75/343720875.db2.gz BPVBVDFUDNYPHW-UHFFFAOYSA-N 0 3 232.349 0.364 20 0 BCADHN CN(C)S(=O)(=O)NC[C@@H]1CCCCN(C)C1 ZINC000625421356 343722967 /nfs/dbraw/zinc/72/29/67/343722967.db2.gz 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ZINC000089217108 344245803 /nfs/dbraw/zinc/24/58/03/344245803.db2.gz XCFHVMAASDFSJK-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN CC(C(=O)N1C[C@H](C)C[C@H]1C)S(C)(=O)=O ZINC000408215806 344250169 /nfs/dbraw/zinc/25/01/69/344250169.db2.gz ANAOXEMBCALALG-HLTSFMKQSA-N 0 3 233.333 0.676 20 0 BCADHN CC(C)N(C)CCNCc1cncnc1 ZINC000054768259 344250219 /nfs/dbraw/zinc/25/02/19/344250219.db2.gz KWMGGCFHPCWSNV-UHFFFAOYSA-N 0 3 208.309 0.906 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(OC)c(N)c1 ZINC000566203451 344296262 /nfs/dbraw/zinc/29/62/62/344296262.db2.gz YDQUHJIUWAKGRF-QMMMGPOBSA-N 0 3 223.276 0.953 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cnccn2)CCN1C ZINC000408222536 344260762 /nfs/dbraw/zinc/26/07/62/344260762.db2.gz AYXPCAOTSVXFPY-ZJUUUORDSA-N 0 3 234.303 0.689 20 0 BCADHN CS[C@H](C)CC(=O)NCCN1CC[C@@H](O)C1 ZINC000600534625 344262226 /nfs/dbraw/zinc/26/22/26/344262226.db2.gz NUMRIECQDIYWIK-NXEZZACHSA-N 0 3 246.376 0.311 20 0 BCADHN CCCN(CC(=O)NC)C[C@@H]1CCOC1 ZINC000056508428 344296991 /nfs/dbraw/zinc/29/69/91/344296991.db2.gz PQBRTHHDBUCBOH-JTQLQIEISA-N 0 3 214.309 0.481 20 0 BCADHN CCCNC(=O)CN[C@H](C)[C@@H](C)OC ZINC000132173389 344281689 /nfs/dbraw/zinc/28/16/89/344281689.db2.gz VGDGQEGBSAMIHA-RKDXNWHRSA-N 0 3 202.298 0.526 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634781500 344322858 /nfs/dbraw/zinc/32/28/58/344322858.db2.gz CSXRDLLLKDGNRF-UTUOFQBUSA-N 0 3 240.347 0.820 20 0 BCADHN CN(C[C@H]1CN(C)C(=O)O1)C[C@H]1CCCOC1 ZINC000495791252 529972246 /nfs/dbraw/zinc/97/22/46/529972246.db2.gz BUCFFPLJAJQFKI-MNOVXSKESA-N 0 3 242.319 0.795 20 0 BCADHN CN(C[C@H]1CN(C)C(=O)O1)[C@H](CO)C(C)(C)C ZINC000496432979 529972306 /nfs/dbraw/zinc/97/23/06/529972306.db2.gz BVDOHFZXWCAIAD-VHSXEESVSA-N 0 3 244.335 0.776 20 0 BCADHN CCCNC(=O)[C@@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634782722 344325018 /nfs/dbraw/zinc/32/50/18/344325018.db2.gz XZIWEQAFXNYUFF-MXWKQRLJSA-N 0 3 226.320 0.479 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2nc(C)no2)nn1 ZINC000395260076 362383256 /nfs/dbraw/zinc/38/32/56/362383256.db2.gz IJKAMJOYPWSSJZ-JTQLQIEISA-N 0 3 236.279 0.602 20 0 BCADHN CSCC[C@H](N)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000131850946 344353087 /nfs/dbraw/zinc/35/30/87/344353087.db2.gz CVMQUVZGLISJAB-AEJSXWLSSA-N 0 3 245.392 0.276 20 0 BCADHN C/C=C\CNC(=O)N[C@H]1CCCN(C)C1 ZINC000623716629 344355592 /nfs/dbraw/zinc/35/55/92/344355592.db2.gz URTVIULAFFONGE-XOULXFPDSA-N 0 3 211.309 0.956 20 0 BCADHN OC[C@H]1CCN(CCOC[C@H]2CCCO2)C1 ZINC000158062837 344359296 /nfs/dbraw/zinc/35/92/96/344359296.db2.gz XVKLATRIUKDXGZ-NWDGAFQWSA-N 0 3 229.320 0.496 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H]2COC[C@@H]2C1)N(C)C ZINC000634776867 344302502 /nfs/dbraw/zinc/30/25/02/344302502.db2.gz OJBDVNAHVNSKTH-OUAUKWLOSA-N 0 3 226.320 0.431 20 0 BCADHN C[C@H](CCNCc1cnn(C)c1)[S@@](C)=O ZINC000132601412 344305175 /nfs/dbraw/zinc/30/51/75/344305175.db2.gz BIYJJGROHXUACP-PSLIRLAXSA-N 0 3 229.349 0.667 20 0 BCADHN C[C@@H](CNC(=O)c1cnn(C)c1)N1CCCC1 ZINC000042505272 344427591 /nfs/dbraw/zinc/42/75/91/344427591.db2.gz HSPMFUJPDRUVNZ-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN CS[C@@H](C)CC(=O)NCCN1CC[C@H](O)C1 ZINC000600808414 344377409 /nfs/dbraw/zinc/37/74/09/344377409.db2.gz NUMRIECQDIYWIK-UWVGGRQHSA-N 0 3 246.376 0.311 20 0 BCADHN CN(C)[C@@H](CNC(=O)CN)c1cccs1 ZINC000040827097 344378898 /nfs/dbraw/zinc/37/88/98/344378898.db2.gz SNYXXUBTFLUGTI-QMMMGPOBSA-N 0 3 227.333 0.426 20 0 BCADHN C[C@H](CN(C)c1nc(N)nc(N)n1)C(C)(C)C ZINC000634807334 344392112 /nfs/dbraw/zinc/39/21/12/344392112.db2.gz HODMRVOUHYOICF-SSDOTTSWSA-N 0 3 238.339 0.815 20 0 BCADHN C[C@H]1C[C@@H](N=c2ncnc3[nH][n-]cc2-3)CC[NH2+]1 ZINC000634808278 344393110 /nfs/dbraw/zinc/39/31/10/344393110.db2.gz NUKWYSQJWDUOAD-YUMQZZPRSA-N 0 3 232.291 0.279 20 0 BCADHN CN(CCN)C(=O)C(=O)NCC1(C)CCCC1 ZINC000418809254 192070372 /nfs/dbraw/zinc/07/03/72/192070372.db2.gz SGXICKQDQUAPDI-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN C[C@H](CNC(=O)c1ccnc(F)c1)N(C)C ZINC000041040141 344414699 /nfs/dbraw/zinc/41/46/99/344414699.db2.gz DVENCKHCWVMFBI-MRVPVSSYSA-N 0 3 225.267 0.901 20 0 BCADHN CCC[C@H](N)C(=O)NCc1cnn(C)c1 ZINC000041055106 344416306 /nfs/dbraw/zinc/41/63/06/344416306.db2.gz KGXNALVATZNHKA-VIFPVBQESA-N 0 3 210.281 0.164 20 0 BCADHN CC[C@@](C)(CCO)NC(=O)CN1CC[C@H](C)C1 ZINC000570823223 323071685 /nfs/dbraw/zinc/07/16/85/323071685.db2.gz FMBKWEFVRYXLFC-AAEUAGOBSA-N 0 3 242.363 0.996 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](C)C(=O)OC ZINC000042317113 344450391 /nfs/dbraw/zinc/45/03/91/344450391.db2.gz GVOVRPXWZRRIBN-XCBNKYQSSA-N 0 3 216.281 0.182 20 0 BCADHN COC(=O)CN1CCN(CC2CC2)CC1 ZINC000042338194 344451014 /nfs/dbraw/zinc/45/10/14/344451014.db2.gz MZAUYIPPGYGKBJ-UHFFFAOYSA-N 0 3 212.293 0.187 20 0 BCADHN COC(=O)CCCN1CCC[C@H](O)C1 ZINC000042469110 344456012 /nfs/dbraw/zinc/45/60/12/344456012.db2.gz HJHAGQSFTYBDOC-VIFPVBQESA-N 0 3 201.266 0.396 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000042476961 344456115 /nfs/dbraw/zinc/45/61/15/344456115.db2.gz CININPICVKXOIB-BBBLOLIVSA-N 0 3 212.293 0.504 20 0 BCADHN CCN1CCCN(CC(=O)N(C)C(C)C)CC1 ZINC000104953442 344462409 /nfs/dbraw/zinc/46/24/09/344462409.db2.gz NMKJDJVJWNAWLY-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CCN1CCCN(Cc2nccn2C)CC1 ZINC000104954276 344462809 /nfs/dbraw/zinc/46/28/09/344462809.db2.gz VMVJOGIVHSVWPX-UHFFFAOYSA-N 0 3 222.336 0.948 20 0 BCADHN C[C@H](C(=O)N[C@@H]1CC[C@H]1O)N1CCCCCC1 ZINC000425046282 192071509 /nfs/dbraw/zinc/07/15/09/192071509.db2.gz LQHXMNFZHWQPCQ-IJLUTSLNSA-N 0 3 240.347 0.890 20 0 BCADHN CC[C@@H]1CCCN(CCNS(C)(=O)=O)C1 ZINC000107298765 344481300 /nfs/dbraw/zinc/48/13/00/344481300.db2.gz GLZMBFILHZMKGT-SNVBAGLBSA-N 0 3 234.365 0.658 20 0 BCADHN Cc1ccncc1CNC[C@@H](O)CN(C)C1CC1 ZINC000381173663 344482506 /nfs/dbraw/zinc/48/25/06/344482506.db2.gz MSNLBGQMSBDUCO-CQSZACIVSA-N 0 3 249.358 0.935 20 0 BCADHN C[C@H]1CCN(CCNCc2nccn2C)C1 ZINC000381203090 344484600 /nfs/dbraw/zinc/48/46/00/344484600.db2.gz FQAUQWRLENMOBR-NSHDSACASA-N 0 3 222.336 0.852 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@](C)(C(N)=O)C1)N(C)C ZINC000408327701 344508957 /nfs/dbraw/zinc/50/89/57/344508957.db2.gz UNLIQJRWCLXWNI-CABZTGNLSA-N 0 3 241.335 0.051 20 0 BCADHN CCO[C@@H]1CCCN(C[C@H](O)COC)C1 ZINC000068891161 344512231 /nfs/dbraw/zinc/51/22/31/344512231.db2.gz GMCKBYJGGUYBJE-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN CCOC(=O)CC(=O)NC[C@@H]1CCCN(C)C1 ZINC000258981801 344522863 /nfs/dbraw/zinc/52/28/63/344522863.db2.gz ZYZSZMFGVAMSCY-JTQLQIEISA-N 0 3 242.319 0.398 20 0 BCADHN CN(C)CCn1ccc(C(=O)NCC2CC2)n1 ZINC000577506317 344533683 /nfs/dbraw/zinc/53/36/83/344533683.db2.gz RORBXGWJDVKLEI-UHFFFAOYSA-N 0 3 236.319 0.585 20 0 BCADHN CSCCNC(=O)[C@@H]1CCCCN1 ZINC000069013741 344537275 /nfs/dbraw/zinc/53/72/75/344537275.db2.gz GAAWMPNNIFRZPA-QMMMGPOBSA-N 0 3 202.323 0.608 20 0 BCADHN C[C@@H]1CC[C@@H](Nc2nc(N)nc(N)n2)C[C@H]1C ZINC000624100782 344537609 /nfs/dbraw/zinc/53/76/09/344537609.db2.gz GWRLGQTYVZTCTM-BWZBUEFSSA-N 0 3 236.323 0.355 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](C)c1nncn1C ZINC000037622198 344553472 /nfs/dbraw/zinc/55/34/72/344553472.db2.gz YATNQBTYELEULV-KCJUWKMLSA-N 0 3 239.323 0.510 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCC1(CCO)CC1 ZINC000358488834 344554170 /nfs/dbraw/zinc/55/41/70/344554170.db2.gz BAVHSXTXVAKOCG-JTQLQIEISA-N 0 3 243.351 0.398 20 0 BCADHN CNC(=O)CCNCc1cccc(O)c1 ZINC000044988481 344554297 /nfs/dbraw/zinc/55/42/97/344554297.db2.gz XZZUJDFSDYWAAE-UHFFFAOYSA-N 0 3 208.261 0.618 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CC[C@@H](CO)[C@@H]1C ZINC000358490044 344555644 /nfs/dbraw/zinc/55/56/44/344555644.db2.gz CKCKVGKMAWALNI-VWYCJHECSA-N 0 3 243.351 0.349 20 0 BCADHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)C1(C)CC1 ZINC000641441163 362421299 /nfs/dbraw/zinc/42/12/99/362421299.db2.gz KFIKRLRDNWXQTR-NXEZZACHSA-N 0 3 246.376 0.941 20 0 BCADHN CCN(CCO)CCOCC(F)(F)F ZINC000048667929 344590620 /nfs/dbraw/zinc/59/06/20/344590620.db2.gz JFJLIYLYXPXNRC-UHFFFAOYSA-N 0 3 215.215 0.880 20 0 BCADHN CC(C)CN1CCN(CCCO)CC1 ZINC000048695285 344591070 /nfs/dbraw/zinc/59/10/70/344591070.db2.gz ACLZDQXFJVVZDI-UHFFFAOYSA-N 0 3 200.326 0.642 20 0 BCADHN CCC[C@@H]1C[C@H]1NC(=O)C(=O)N(C)[C@@H](C)CN ZINC000418815755 192072744 /nfs/dbraw/zinc/07/27/44/192072744.db2.gz JMGGTNRMZDNMOF-IVZWLZJFSA-N 0 3 241.335 0.097 20 0 BCADHN CN(CCN(C)C1CC1)c1cc(C(N)=O)ncn1 ZINC000641499188 362462897 /nfs/dbraw/zinc/46/28/97/362462897.db2.gz WIJLPQSXGYQENP-UHFFFAOYSA-N 0 3 249.318 0.106 20 0 BCADHN CCO[C@@H](CCNC(=O)[C@@H](C)N)C(C)C ZINC000121688868 537851098 /nfs/dbraw/zinc/85/10/98/537851098.db2.gz RBFMIIMVNSZEEC-ZJUUUORDSA-N 0 3 216.325 0.901 20 0 BCADHN CC(C)NCCS(=O)(=O)NC(C)(C)C ZINC000049631894 344668949 /nfs/dbraw/zinc/66/89/49/344668949.db2.gz BXQSJDPCRUEJKO-UHFFFAOYSA-N 0 3 222.354 0.702 20 0 BCADHN CC(C)NC(=O)CN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626011494 344669748 /nfs/dbraw/zinc/66/97/48/344669748.db2.gz MYCMJDGDJWGNBR-WCQYABFASA-N 0 3 240.347 0.605 20 0 BCADHN CN(C)CCN(C)C(=O)COCC(F)F ZINC000625969489 344629039 /nfs/dbraw/zinc/62/90/39/344629039.db2.gz GDXSZLURIVQPCA-UHFFFAOYSA-N 0 3 224.251 0.288 20 0 BCADHN CC[C@@H](N)C(=O)Nc1c(C)c(C)nn1C ZINC000309448980 347064336 /nfs/dbraw/zinc/06/43/36/347064336.db2.gz MCGTYLGHIRPQHZ-MRVPVSSYSA-N 0 3 210.281 0.713 20 0 BCADHN CCN1CCC(N(C)C(=O)[C@H]2CCOC2)CC1 ZINC000119897465 344643325 /nfs/dbraw/zinc/64/33/25/344643325.db2.gz WOXRIDYJKGGGPM-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CN(C(=O)CN1CCC[C@@H]1CO)C1CC1 ZINC000050116866 344721939 /nfs/dbraw/zinc/72/19/39/344721939.db2.gz PVLDAEUMRLGMDQ-SNVBAGLBSA-N 0 3 212.293 0.064 20 0 BCADHN CC1(NC(=O)C[C@@H]2CSCCN2)CC1 ZINC000158714211 344731655 /nfs/dbraw/zinc/73/16/55/344731655.db2.gz JLLYOBPWPPDGJJ-MRVPVSSYSA-N 0 3 214.334 0.750 20 0 BCADHN CCN1CCC[C@H]1CNCc1ncc[nH]1 ZINC000049714586 344683194 /nfs/dbraw/zinc/68/31/94/344683194.db2.gz FZJINWLTDNBNIK-JTQLQIEISA-N 0 3 208.309 0.984 20 0 BCADHN C[C@@H]1CN(CC2(O)CCOCC2)C[C@H](C)O1 ZINC000152738354 344685314 /nfs/dbraw/zinc/68/53/14/344685314.db2.gz OSYQOBCHQSDLJX-PHIMTYICSA-N 0 3 229.320 0.637 20 0 BCADHN COc1cc(CN(C)[C@H]2C[C@@H](C(N)=O)C2)ccn1 ZINC000626039176 344691750 /nfs/dbraw/zinc/69/17/50/344691750.db2.gz SPOQFKYQOAQZGF-PHIMTYICSA-N 0 3 249.314 0.786 20 0 BCADHN C[C@H](C(=O)NC(C)(C)C)N(C)C[C@H]1C[C@@H](O)C1 ZINC000626043534 344694256 /nfs/dbraw/zinc/69/42/56/344694256.db2.gz SUKDTAHJAMNDLE-MXWKQRLJSA-N 0 3 242.363 0.992 20 0 BCADHN CCCCNC(=O)[C@H](C)N(C)C[C@H]1C[C@@H](O)C1 ZINC000626043386 344694403 /nfs/dbraw/zinc/69/44/03/344694403.db2.gz OTMBYQPCXXVCID-SDDRHHMPSA-N 0 3 242.363 0.994 20 0 BCADHN CN(Cc1ccc(C(N)=O)cc1)C[C@H]1C[C@@H](O)C1 ZINC000626043526 344694444 /nfs/dbraw/zinc/69/44/44/344694444.db2.gz SOZDFWXRCUNDRS-BJHJDKERSA-N 0 3 248.326 0.988 20 0 BCADHN CCNC(=O)CN1CC[C@H]2OCCC[C@@H]2C1 ZINC000152829764 344696884 /nfs/dbraw/zinc/69/68/84/344696884.db2.gz BITDVWPXTCPFKD-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)C1)N1CCCC1 ZINC000582123957 344701229 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COCc1ccc(CN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093483614 345673442 /nfs/dbraw/zinc/67/34/42/345673442.db2.gz SGHDSDCCOLFBDP-BETUJISGSA-N 0 3 237.299 0.370 20 0 BCADHN O[C@@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1O ZINC000093483683 345673827 /nfs/dbraw/zinc/67/38/27/345673827.db2.gz SPFLJFSCUZLYQC-XDQVBPFNSA-N 0 3 233.311 0.828 20 0 BCADHN CCc1nncn1CCNCc1ccncc1N ZINC000641730800 362655342 /nfs/dbraw/zinc/65/53/42/362655342.db2.gz PITSEHFTWGSJAB-UHFFFAOYSA-N 0 3 246.318 0.608 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)C[C@@H]1C=CCC1 ZINC000673521443 488292821 /nfs/dbraw/zinc/29/28/21/488292821.db2.gz BSVIIVLZPGLNAP-MNOVXSKESA-N 0 3 226.320 0.381 20 0 BCADHN CC[C@@](C)(CO)NCc1ccncc1N ZINC000641714585 362630938 /nfs/dbraw/zinc/63/09/38/362630938.db2.gz BGDNUACANFERKG-NSHDSACASA-N 0 3 209.293 0.914 20 0 BCADHN Cc1ccc(CC(=O)NCCN(C)C)o1 ZINC000096645944 345687452 /nfs/dbraw/zinc/68/74/52/345687452.db2.gz WBVPSRPMADPHOU-UHFFFAOYSA-N 0 3 210.277 0.808 20 0 BCADHN CCC[C@H](C)C(=O)N[C@H](CO)CN(C)C 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237.303 0.405 20 0 BCADHN CN(CC(=O)NCCN1CCC1)CC(C)(C)C ZINC000635724649 346034749 /nfs/dbraw/zinc/03/47/49/346034749.db2.gz LVIWSHWXKXDEHO-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC000575125382 346037765 /nfs/dbraw/zinc/03/77/65/346037765.db2.gz BWGGBSBYRGNRGI-IWSPIJDZSA-N 0 3 218.272 0.357 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCC[C@H](F)C1 ZINC000575125380 346037972 /nfs/dbraw/zinc/03/79/72/346037972.db2.gz BWGGBSBYRGNRGI-DJLDLDEBSA-N 0 3 218.272 0.357 20 0 BCADHN CN1CCCC[C@H]1C(=O)NCCN1CCC1 ZINC000635725764 346038138 /nfs/dbraw/zinc/03/81/38/346038138.db2.gz YBERGLSMUPMYAZ-NSHDSACASA-N 0 3 225.336 0.293 20 0 BCADHN CNS(=O)(=O)CCN(C(C)C)C(C)C ZINC000148648913 346038530 /nfs/dbraw/zinc/03/85/30/346038530.db2.gz ZPZJRXHQWOQJGJ-UHFFFAOYSA-N 0 3 222.354 0.654 20 0 BCADHN CN(CC(=O)N1CC[C@H](CO)C1)CC(C)(C)C ZINC000635739801 346040912 /nfs/dbraw/zinc/04/09/12/346040912.db2.gz LJHVFGNLPYTILD-NSHDSACASA-N 0 3 242.363 0.805 20 0 BCADHN 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/nfs/dbraw/zinc/18/23/54/323182354.db2.gz ZWEMKKSTNVOBKA-MNOVXSKESA-N 0 3 200.326 0.905 20 0 BCADHN CCOC(=O)COCCN1CC[C@H]2C[C@H]2C1 ZINC000595811105 348350615 /nfs/dbraw/zinc/35/06/15/348350615.db2.gz SLMKZFWJXGQVII-QWRGUYRKSA-N 0 3 227.304 0.908 20 0 BCADHN CC(C)N1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000082680134 348327042 /nfs/dbraw/zinc/32/70/42/348327042.db2.gz ORNADZXJYDGEKS-SECBINFHSA-N 0 3 240.269 0.936 20 0 BCADHN CCOC(=O)CCN1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595745347 348339608 /nfs/dbraw/zinc/33/96/08/348339608.db2.gz RWBXUTUPEVLITE-NXEZZACHSA-N 0 3 229.320 0.888 20 0 BCADHN COC(=O)[C@](C)(O)CN(C)CC1=CCCOC1 ZINC000595748178 348340513 /nfs/dbraw/zinc/34/05/13/348340513.db2.gz XVYKIMQPDMDTEN-GFCCVEGCSA-N 0 3 243.303 0.189 20 0 BCADHN CSC[C@H](O)CN(C)CC1=CCCOC1 ZINC000595748009 348340519 /nfs/dbraw/zinc/34/05/19/348340519.db2.gz SRGMMYNQCKBYPM-LLVKDONJSA-N 0 3 231.361 0.989 20 0 BCADHN CCOC(=O)CCCN(C)C[C@H]1COCCO1 ZINC000595745686 348340534 /nfs/dbraw/zinc/34/05/34/348340534.db2.gz ZEPPVAKINIGEQG-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN CSCCN1CCC(CO)(CO)C1 ZINC000595798347 348346627 /nfs/dbraw/zinc/34/66/27/348346627.db2.gz CHBQUMXVXMZVJY-UHFFFAOYSA-N 0 3 205.323 0.026 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cc(C)nn1CC ZINC000638699740 352538471 /nfs/dbraw/zinc/53/84/71/352538471.db2.gz PPTJVMFUXMEETL-MRVPVSSYSA-N 0 3 210.281 0.887 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)CCc2cn[nH]n2)C1 ZINC000595857411 348358056 /nfs/dbraw/zinc/35/80/56/348358056.db2.gz WVPKQSLKGFPVDY-WAAGHKOSSA-N 0 3 238.291 0.231 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCc1cnc[nH]1 ZINC000309098973 349985773 /nfs/dbraw/zinc/98/57/73/349985773.db2.gz DXPWKKWDBQCOMM-IONNQARKSA-N 0 3 208.265 0.024 20 0 BCADHN CC[C@H](C)N(CC)C(=O)[C@H](N)CCC(=O)OC ZINC000595961785 348405692 /nfs/dbraw/zinc/40/56/92/348405692.db2.gz MBZQJDVOOQSEPY-VHSXEESVSA-N 0 3 244.335 0.914 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@@H](CO)C1CCC1 ZINC000595963789 348406133 /nfs/dbraw/zinc/40/61/33/348406133.db2.gz UVIDLTCFOUMSNL-ZJUUUORDSA-N 0 3 246.376 0.344 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](CC(=O)OC)C1CC1 ZINC000595972265 348407956 /nfs/dbraw/zinc/40/79/56/348407956.db2.gz KMBXMWDHHJJDIW-WCBMZHEXSA-N 0 3 242.319 0.300 20 0 BCADHN COC(=O)CCCN(C)C(=O)[C@H]1NCC1(C)C ZINC000595971762 348408294 /nfs/dbraw/zinc/40/82/94/348408294.db2.gz UJPFUOKOJOJWRS-SNVBAGLBSA-N 0 3 242.319 0.396 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)[C@H](N)CC(C)C)C1 ZINC000595975067 348412963 /nfs/dbraw/zinc/41/29/63/348412963.db2.gz LRTVZRGTABYNHI-KXUCPTDWSA-N 0 3 242.319 0.428 20 0 BCADHN CN(CCNS(C)(=O)=O)CCC(C)(C)C ZINC000603499766 349987368 /nfs/dbraw/zinc/98/73/68/349987368.db2.gz UQAFYEOZTNYGHA-UHFFFAOYSA-N 0 3 236.381 0.904 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC(=O)CNC(C)C)C1 ZINC000595983052 348418233 /nfs/dbraw/zinc/41/82/33/348418233.db2.gz MYBKTOSGTVHTSN-KYZUINATSA-N 0 3 228.292 0.052 20 0 BCADHN CC[C@@H](N)C(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595985473 348419144 /nfs/dbraw/zinc/41/91/44/348419144.db2.gz CACRUWBHJZRGIC-HRDYMLBCSA-N 0 3 228.292 0.134 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N(C)C[C@H]1CC1(C)C ZINC000595909961 348397878 /nfs/dbraw/zinc/39/78/78/348397878.db2.gz AKKLZSOXWWGDSG-HTQZYQBOSA-N 0 3 227.308 0.548 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC[C@H](C)C[C@@H](C)O ZINC000236697195 187396395 /nfs/dbraw/zinc/39/63/95/187396395.db2.gz XSHDCOXGATZSMV-MXWKQRLJSA-N 0 3 230.352 0.883 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1CC2CC1(C)C2 ZINC000595914574 348399424 /nfs/dbraw/zinc/39/94/24/348399424.db2.gz CYCOLGVILPMUSV-JYPKXMCJSA-N 0 3 225.292 0.315 20 0 BCADHN OCCN1CCC(Nc2ccccn2)CC1 ZINC000535576605 323186267 /nfs/dbraw/zinc/18/62/67/323186267.db2.gz RJYFRTUHEQFTEV-UHFFFAOYSA-N 0 3 221.304 0.950 20 0 BCADHN CC(C)Cn1ccnc1NC(=O)[C@H](C)N ZINC000261580320 187396431 /nfs/dbraw/zinc/39/64/31/187396431.db2.gz MYGHJJPKEOWEAI-QMMMGPOBSA-N 0 3 210.281 0.825 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)[C@H](C)NC ZINC000595955297 348404309 /nfs/dbraw/zinc/40/43/09/348404309.db2.gz MSLCZGVCSZWUEW-YIZRAAEISA-N 0 3 230.308 0.298 20 0 BCADHN C[C@@H]1[C@@H](C)[C@H](C)CN1CCNS(C)(=O)=O ZINC000419372655 192129175 /nfs/dbraw/zinc/12/91/75/192129175.db2.gz MSXWKZOSLFMFDY-KXUCPTDWSA-N 0 3 234.365 0.512 20 0 BCADHN COCCCCN(C)CC(=O)N(C)C1CC1 ZINC000419387213 192129900 /nfs/dbraw/zinc/12/99/00/192129900.db2.gz NBLRXIOZZSQAMO-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CCNC(=O)NC(=O)CN1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419394914 192130140 /nfs/dbraw/zinc/13/01/40/192130140.db2.gz PTYGOKRMNWPENH-GUBZILKMSA-N 0 3 241.335 0.808 20 0 BCADHN CCCSCC(=O)N1CCOC2(CNC2)C1 ZINC000596098757 348445420 /nfs/dbraw/zinc/44/54/20/348445420.db2.gz MJFOWZVASHLPAR-UHFFFAOYSA-N 0 3 244.360 0.330 20 0 BCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCc1ccccc1 ZINC000419725997 192143948 /nfs/dbraw/zinc/14/39/48/192143948.db2.gz TXHMCPIIQZJPBU-JTQLQIEISA-N 0 3 249.314 0.108 20 0 BCADHN CC[C@@H](NC(=O)C(=O)N[C@@H](C)CN)C(C)(C)C ZINC000419661121 192144088 /nfs/dbraw/zinc/14/40/88/192144088.db2.gz DCGPMHSDGWHAGD-DTWKUNHWSA-N 0 3 243.351 0.391 20 0 BCADHN CC[C@@H](NC(=O)C(=O)NCCN)C(C)(C)C ZINC000419683682 192144476 /nfs/dbraw/zinc/14/44/76/192144476.db2.gz VSXMATOKJRWDAH-MRVPVSSYSA-N 0 3 229.324 0.002 20 0 BCADHN CC(C)Cn1cc(CN[C@H](CO)[C@@H](C)O)cn1 ZINC000419797665 192145293 /nfs/dbraw/zinc/14/52/93/192145293.db2.gz URQVNNNJFQFURA-ZYHUDNBSSA-N 0 3 241.335 0.370 20 0 BCADHN Cc1ccc(F)cc1CN[C@H](CO)[C@@H](C)O ZINC000419793449 192145409 /nfs/dbraw/zinc/14/54/09/192145409.db2.gz BTLRYCKHYJAWMO-BXKDBHETSA-N 0 3 227.279 0.965 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1cccs1 ZINC000419802319 192145512 /nfs/dbraw/zinc/14/55/12/192145512.db2.gz CTVHINYQYPQNBM-VXNVDRBHSA-N 0 3 201.291 0.579 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000419816675 192145756 /nfs/dbraw/zinc/14/57/56/192145756.db2.gz QSEAKCSOZRXTMX-AEJSXWLSSA-N 0 3 241.335 0.145 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N[C@H]1CCCC[C@H]1C ZINC000419816678 192145874 /nfs/dbraw/zinc/14/58/74/192145874.db2.gz QSEAKCSOZRXTMX-BBBLOLIVSA-N 0 3 241.335 0.145 20 0 BCADHN CCC[C@@H](O)[C@H](CO)NCc1c(C)n[nH]c1C ZINC000419806552 192145924 /nfs/dbraw/zinc/14/59/24/192145924.db2.gz FNULYDBYWNGJPM-NWDGAFQWSA-N 0 3 241.335 0.638 20 0 BCADHN CC[C@H](C(=O)NC[C@H](C)N(C)C)[C@H](C)O ZINC000419882172 192147973 /nfs/dbraw/zinc/14/79/73/192147973.db2.gz LYXFWOKRPWAHQB-GUBZILKMSA-N 0 3 216.325 0.460 20 0 BCADHN COCCN1CCC(N2CCNC2=O)CC1 ZINC000052215568 323192673 /nfs/dbraw/zinc/19/26/73/323192673.db2.gz QMONNPXZQFEYDL-UHFFFAOYSA-N 0 3 227.308 0.122 20 0 BCADHN CC[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)CN ZINC000420016346 192153268 /nfs/dbraw/zinc/15/32/68/192153268.db2.gz SDTKUKHSIAMPAI-ZJUUUORDSA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN ZINC000420020394 192153508 /nfs/dbraw/zinc/15/35/08/192153508.db2.gz SDTKUKHSIAMPAI-VHSXEESVSA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@@H]1[C@H](C)CCN1C(=O)C(=O)N[C@@H](C)CN ZINC000420018414 192153634 /nfs/dbraw/zinc/15/36/34/192153634.db2.gz PICFJRCEDSAHSD-KXUCPTDWSA-N 0 3 241.335 0.097 20 0 BCADHN CCC1(C(=O)NC[C@](C)(O)CCN(C)C)CC1 ZINC000419975644 192154401 /nfs/dbraw/zinc/15/44/01/192154401.db2.gz ASTDEWBXFVNEMW-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)NC[C@](C)(O)CCN(C)C ZINC000419970369 192154719 /nfs/dbraw/zinc/15/47/19/192154719.db2.gz BPONBVWFZHBNFO-NQBHXWOUSA-N 0 3 242.363 0.851 20 0 BCADHN CCN1CCN(CCn2cc(C)cn2)CC1 ZINC000205927800 348607626 /nfs/dbraw/zinc/60/76/26/348607626.db2.gz QHWQDULFSZRBKS-UHFFFAOYSA-N 0 3 222.336 0.829 20 0 BCADHN CC(C)[C@H]1CCCN1C(=O)C(=O)N[C@H](C)CN ZINC000419991431 192155654 /nfs/dbraw/zinc/15/56/54/192155654.db2.gz BGZLRGKNGLPVDX-NXEZZACHSA-N 0 3 241.335 0.097 20 0 BCADHN COC(=O)c1oc(CNCCCO)cc1C ZINC000597040759 348648614 /nfs/dbraw/zinc/64/86/14/348648614.db2.gz ZHIGWDVPQPQQMW-UHFFFAOYSA-N 0 3 227.260 0.847 20 0 BCADHN C[C@H](C[S@](C)=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000597081015 348658210 /nfs/dbraw/zinc/65/82/10/348658210.db2.gz ZIRDPXGHXDRELJ-ROVZQNDUSA-N 0 3 231.361 0.911 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000420021851 192158050 /nfs/dbraw/zinc/15/80/50/192158050.db2.gz IWUYHRYRBNYQQL-LPEHRKFASA-N 0 3 241.335 0.097 20 0 BCADHN CN(C)CC[C@](C)(O)CNC(=O)CCC1CC1 ZINC000420021704 192158193 /nfs/dbraw/zinc/15/81/93/192158193.db2.gz UUNHHQBFWDXQQH-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](C(=O)NC[C@](C)(O)CCN(C)C)C1CC1 ZINC000420023496 192158271 /nfs/dbraw/zinc/15/82/71/192158271.db2.gz XTESVNQSUAGEHU-GXFFZTMASA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)CN(C(=O)C(=O)N[C@@H](C)CN)C(C)C ZINC000420034692 192158509 /nfs/dbraw/zinc/15/85/09/192158509.db2.gz XWDDMBIPFZHROW-JTQLQIEISA-N 0 3 243.351 0.343 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](C)N(C)C)[C@@H](C)O ZINC000420090674 192159950 /nfs/dbraw/zinc/15/99/50/192159950.db2.gz LYXFWOKRPWAHQB-IVZWLZJFSA-N 0 3 216.325 0.460 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@@H](C)COC(C)C ZINC000597186629 348683646 /nfs/dbraw/zinc/68/36/46/348683646.db2.gz KBHSQHMQODOKAD-GARJFASQSA-N 0 3 245.319 0.720 20 0 BCADHN CC[C@H](COC)N[C@@H]1CCO[C@@H]1C(=O)OC ZINC000597186658 348683824 /nfs/dbraw/zinc/68/38/24/348683824.db2.gz KWVZEAVNSILHFI-BBBLOLIVSA-N 0 3 231.292 0.332 20 0 BCADHN COC(=O)[C@H]1OCC[C@H]1NC1CC(OC)C1 ZINC000597187491 348684387 /nfs/dbraw/zinc/68/43/87/348684387.db2.gz QKFVFKPNTNAPAW-BMNUFHGDSA-N 0 3 229.276 0.084 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H]1CC[C@@H]1SC ZINC000597187564 348684498 /nfs/dbraw/zinc/68/44/98/348684498.db2.gz OCJJTJWNBGZZIE-AATLWQCWSA-N 0 3 245.344 0.801 20 0 BCADHN COC(=O)[C@@H](C)N1CCN(c2ccncc2)CC1 ZINC000151250408 352539407 /nfs/dbraw/zinc/53/94/07/352539407.db2.gz MKZRZIVMTJRBKG-LLVKDONJSA-N 0 3 249.314 0.765 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@H]2CCNC2=O)[C@H]1SC ZINC000597254959 348709771 /nfs/dbraw/zinc/70/97/71/348709771.db2.gz QYVOWQMQQCPMAA-SGIHWFKDSA-N 0 3 244.360 0.374 20 0 BCADHN CC[C@@H](OC)C(=O)N(C)C[C@H]1CCCN1C ZINC000421704539 192373975 /nfs/dbraw/zinc/37/39/75/192373975.db2.gz OYDAXOPJQMNWDD-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN COC(=O)CCC(=O)N(C)C[C@@H]1CCCN1C ZINC000421703094 192374126 /nfs/dbraw/zinc/37/41/26/192374126.db2.gz LMKMRIVBQHEYFK-JTQLQIEISA-N 0 3 242.319 0.492 20 0 BCADHN CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421705720 192374448 /nfs/dbraw/zinc/37/44/48/192374448.db2.gz SALKRAFAIJSQAX-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN COCCCC(=O)N(C)C[C@@H]1CCCN1C ZINC000421707455 192374603 /nfs/dbraw/zinc/37/46/03/192374603.db2.gz XLVNCUGJFHQSGU-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN COC(=O)[C@H](C)N1CCN(c2ccncc2)CC1 ZINC000151250343 352539664 /nfs/dbraw/zinc/53/96/64/352539664.db2.gz MKZRZIVMTJRBKG-NSHDSACASA-N 0 3 249.314 0.765 20 0 BCADHN Cn1cncc1CNCCOC[C@@H]1CCOC1 ZINC000598037715 348873086 /nfs/dbraw/zinc/87/30/86/348873086.db2.gz HRAGJJWGQJUCSJ-LLVKDONJSA-N 0 3 239.319 0.563 20 0 BCADHN CN[C@@H](C)C(=O)NCCCOCC1CC1 ZINC000054072168 348874631 /nfs/dbraw/zinc/87/46/31/348874631.db2.gz VWKWJVQUTBBKPL-VIFPVBQESA-N 0 3 214.309 0.527 20 0 BCADHN Cc1cnn(C)c1CNCCn1cccn1 ZINC000309721543 179720920 /nfs/dbraw/zinc/72/09/20/179720920.db2.gz WEMKONWXLCBGAR-UHFFFAOYSA-N 0 3 219.292 0.715 20 0 BCADHN COC(=O)c1ccc(CNC2(CO)CC2)[nH]1 ZINC000163752382 348927898 /nfs/dbraw/zinc/92/78/98/348927898.db2.gz YLHCQUZFGYGJLM-UHFFFAOYSA-N 0 3 224.260 0.416 20 0 BCADHN C[C@@H]1C[C@H](N(C)C(=O)[C@H](O)C2CC2)CCN1C ZINC000669129000 490215272 /nfs/dbraw/zinc/21/52/72/490215272.db2.gz RJFBRHCOXQIZJC-YUSALJHKSA-N 0 3 240.347 0.698 20 0 BCADHN COC(=O)CCCN1CC[C@@H](C)[C@@H](CO)C1 ZINC000598651039 349012100 /nfs/dbraw/zinc/01/21/00/349012100.db2.gz QFERKJDMPHGVCZ-GHMZBOCLSA-N 0 3 229.320 0.890 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000598637995 349014757 /nfs/dbraw/zinc/01/47/57/349014757.db2.gz MRSCASZXOACCCF-ZJUUUORDSA-N 0 3 244.335 0.688 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000598637987 349014949 /nfs/dbraw/zinc/01/49/49/349014949.db2.gz MRSCASZXOACCCF-UWVGGRQHSA-N 0 3 244.335 0.688 20 0 BCADHN CCN[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000598638049 349014994 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C[C@@H]1CN(C(=O)Cn2cccn2)[C@@H](C)CN1 ZINC000083118214 191007314 /nfs/dbraw/zinc/00/73/14/191007314.db2.gz TVSJKEZMTBDEGI-ZJUUUORDSA-N 0 3 222.292 0.092 20 0 BCADHN CC(C)N(C)CC(=O)N(C)Cc1cn[nH]c1 ZINC000603916269 350055837 /nfs/dbraw/zinc/05/58/37/350055837.db2.gz LXAGKXOWDVYIPI-UHFFFAOYSA-N 0 3 224.308 0.708 20 0 BCADHN CCN(CC)CC(=O)N(C)Cc1cn[nH]c1 ZINC000603914313 350055858 /nfs/dbraw/zinc/05/58/58/350055858.db2.gz HRBQTZPVCZYMRT-UHFFFAOYSA-N 0 3 224.308 0.710 20 0 BCADHN CC(C)(N)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000658963324 490292381 /nfs/dbraw/zinc/29/23/81/490292381.db2.gz NUTDKVXGBSNRMA-IUCAKERBSA-N 0 3 212.293 0.219 20 0 BCADHN CC(C)(N)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000658963320 490292418 /nfs/dbraw/zinc/29/24/18/490292418.db2.gz NUTDKVXGBSNRMA-BDAKNGLRSA-N 0 3 212.293 0.219 20 0 BCADHN N[C@@H]1CN(C(=O)Nc2ccccn2)CC[C@H]1F ZINC000623072454 350105589 /nfs/dbraw/zinc/10/55/89/350105589.db2.gz ARHDBOAJLYVUDW-RKDXNWHRSA-N 0 3 238.266 0.985 20 0 BCADHN O=C(NCc1cc[nH]n1)N[C@@H]1CCN(C2CC2)C1 ZINC000604176133 350084405 /nfs/dbraw/zinc/08/44/05/350084405.db2.gz YDJFTZOGLBOWIR-SNVBAGLBSA-N 0 3 249.318 0.446 20 0 BCADHN CCC[C@@H](O)CNC(=O)N[C@H]1CCCN(C)C1 ZINC000604178856 350085199 /nfs/dbraw/zinc/08/51/99/350085199.db2.gz HULYURFRMSMEED-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN Cc1nc(NC(=O)/C=C/CN(C)C)nn1C ZINC000293709813 180005267 /nfs/dbraw/zinc/00/52/67/180005267.db2.gz ODSKAQMBAUAAFI-AATRIKPKSA-N 0 3 223.280 0.180 20 0 BCADHN CN1CCC(NC(=O)COCC(F)F)CC1 ZINC000623528801 362948654 /nfs/dbraw/zinc/94/86/54/362948654.db2.gz FHWLXKYFNGUFEM-UHFFFAOYSA-N 0 3 236.262 0.479 20 0 BCADHN Cc1nnc(NC(=O)c2cnccc2N(C)C)[nH]1 ZINC000183535430 180014373 /nfs/dbraw/zinc/01/43/73/180014373.db2.gz PJZUNFVWBZLROL-UHFFFAOYSA-N 0 3 246.274 0.826 20 0 BCADHN Cc1nc(NC(=O)c2cnccc2N(C)C)n[nH]1 ZINC000183535430 180014376 /nfs/dbraw/zinc/01/43/76/180014376.db2.gz PJZUNFVWBZLROL-UHFFFAOYSA-N 0 3 246.274 0.826 20 0 BCADHN CC[C@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000632089125 350098123 /nfs/dbraw/zinc/09/81/23/350098123.db2.gz UDXHOYWOYJUIDK-NSHDSACASA-N 0 3 248.392 1.000 20 0 BCADHN C[C@H](NC[C@H]1COCCN1C)c1ccnn1C ZINC000624176768 350128682 /nfs/dbraw/zinc/12/86/82/350128682.db2.gz RTASRUURZADSDQ-QWRGUYRKSA-N 0 3 238.335 0.401 20 0 BCADHN Cc1nnc([C@@H]2CCCN([C@@H](C)C(N)=O)C2)[nH]1 ZINC000268445486 180040737 /nfs/dbraw/zinc/04/07/37/180040737.db2.gz HXRLBVDNZQELLX-IONNQARKSA-N 0 3 237.307 0.166 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000219274801 350119300 /nfs/dbraw/zinc/11/93/00/350119300.db2.gz HIKOTAUNTZHWSQ-RWMBFGLXSA-N 0 3 244.379 0.797 20 0 BCADHN CN1CCC[C@@H](N2CCN(CC(F)F)CC2)C1 ZINC000604389939 350119371 /nfs/dbraw/zinc/11/93/71/350119371.db2.gz LXGRKOIOUSZMEN-LLVKDONJSA-N 0 3 247.333 0.963 20 0 BCADHN CC(C)(O)CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132161925 191026668 /nfs/dbraw/zinc/02/66/68/191026668.db2.gz REVNISUVQWEWRQ-ZJUUUORDSA-N 0 3 249.376 0.703 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@@H]1CCCN1C ZINC000132124672 191025365 /nfs/dbraw/zinc/02/53/65/191025365.db2.gz WSSUOPLWUZODNP-ZJUUUORDSA-N 0 3 234.365 0.103 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@H]1CCCN1C ZINC000132125661 191025680 /nfs/dbraw/zinc/02/56/80/191025680.db2.gz BJBVRSZUIPYPOO-WDEREUQCSA-N 0 3 248.392 0.493 20 0 BCADHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCCO ZINC000132077294 191025859 /nfs/dbraw/zinc/02/58/59/191025859.db2.gz IIDFVVXFPJRCAK-UWVGGRQHSA-N 0 3 235.349 0.314 20 0 BCADHN C[C@@H](NCCNC(=O)C1CC1)c1cn[nH]c1 ZINC000304285582 350149466 /nfs/dbraw/zinc/14/94/66/350149466.db2.gz YBBPMKANXQRMSG-MRVPVSSYSA-N 0 3 222.292 0.587 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000402300643 350134016 /nfs/dbraw/zinc/13/40/16/350134016.db2.gz JMYMHMHVQKIQPE-HRDYMLBCSA-N 0 3 200.282 0.263 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000303970491 350135470 /nfs/dbraw/zinc/13/54/70/350135470.db2.gz UIZATJWCNSVLLB-AVPPRXQKSA-N 0 3 220.272 0.108 20 0 BCADHN C[C@@H](CO)N[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000132243479 191029822 /nfs/dbraw/zinc/02/98/22/191029822.db2.gz OCLNGYNQVLVZST-LPEHRKFASA-N 0 3 235.349 0.313 20 0 BCADHN COCCC1(CN[C@H](C)CS(C)(=O)=O)CC1 ZINC000132326158 191031759 /nfs/dbraw/zinc/03/17/59/191031759.db2.gz LUJDNIVDDWAIGY-SNVBAGLBSA-N 0 3 249.376 0.826 20 0 BCADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)C(=O)N(C)C ZINC000132396393 191031945 /nfs/dbraw/zinc/03/19/45/191031945.db2.gz JJKBSFDNCGGDIG-VGMNWLOBSA-N 0 3 202.298 0.476 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1ccncn1 ZINC000426837886 191047620 /nfs/dbraw/zinc/04/76/20/191047620.db2.gz ZTUFYFIBYBJOTE-SECBINFHSA-N 0 3 220.276 0.301 20 0 BCADHN CC(C)NCC(=O)N[C@@H](C)c1cnn(C)c1 ZINC000304415891 350155597 /nfs/dbraw/zinc/15/55/97/350155597.db2.gz YUXCODQUDPZVNS-VIFPVBQESA-N 0 3 224.308 0.595 20 0 BCADHN COC(=O)C(C)(C)CNC(=O)CNC(C)C ZINC000304405940 350156086 /nfs/dbraw/zinc/15/60/86/350156086.db2.gz HWPSEUWZXSVLTQ-UHFFFAOYSA-N 0 3 230.308 0.300 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCC[C@@H]1CCO ZINC000304571117 350157335 /nfs/dbraw/zinc/15/73/35/350157335.db2.gz PCIRYYLMCDRDIH-GHMZBOCLSA-N 0 3 245.319 0.147 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCC[C@H]1CCO ZINC000304571122 350157657 /nfs/dbraw/zinc/15/76/57/350157657.db2.gz PCIRYYLMCDRDIH-WDEREUQCSA-N 0 3 245.319 0.147 20 0 BCADHN Cc1nc2n(n1)CCN(C(=O)[C@H]1CCCCN1)C2 ZINC000262684182 180111541 /nfs/dbraw/zinc/11/15/41/180111541.db2.gz ZNWBRLRKZWUJHX-SNVBAGLBSA-N 0 3 249.318 0.071 20 0 BCADHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cn[nH]c1)CC2 ZINC000280972046 180112616 /nfs/dbraw/zinc/11/26/16/180112616.db2.gz KNVQRJLXUWPVEI-KCJUWKMLSA-N 0 3 246.318 0.975 20 0 BCADHN Cc1nc2n(n1)CCN(CCN1CCCCC1)C2 ZINC000374066727 180112673 /nfs/dbraw/zinc/11/26/73/180112673.db2.gz PKGRGUPFLMBKLK-UHFFFAOYSA-N 0 3 249.362 0.888 20 0 BCADHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCCNC1=O)CC2 ZINC000330055032 180113876 /nfs/dbraw/zinc/11/38/76/180113876.db2.gz SYWXIQJINPFTBM-NXEZZACHSA-N 0 3 249.318 0.610 20 0 BCADHN CC[C@](C)(NCCOC(C)C)C(N)=O ZINC000133726975 191042254 /nfs/dbraw/zinc/04/22/54/191042254.db2.gz ROLFZURUYKFIEH-JTQLQIEISA-N 0 3 202.298 0.655 20 0 BCADHN O=C(NCCN1CCC1)[C@H]1CCCN1C1CC1 ZINC000426980388 191050757 /nfs/dbraw/zinc/05/07/57/191050757.db2.gz KMRLAVXEMIZCCE-GFCCVEGCSA-N 0 3 237.347 0.435 20 0 BCADHN C/C=C\CNC(=O)NCCOCCN(C)C ZINC000637079436 350175101 /nfs/dbraw/zinc/17/51/01/350175101.db2.gz WWWWHMSWVSVBMR-PLNGDYQASA-N 0 3 229.324 0.440 20 0 BCADHN CN1CCC(Nc2ccc(C(N)=O)nn2)CC1 ZINC000095009561 191054038 /nfs/dbraw/zinc/05/40/38/191054038.db2.gz DBSQKGXBNJENJS-UHFFFAOYSA-N 0 3 235.291 0.082 20 0 BCADHN CC(C)[C@@H](C(=O)NCC(F)(F)CN)N(C)C ZINC000427167045 191054977 /nfs/dbraw/zinc/05/49/77/191054977.db2.gz KVSPJSHUWSOYRW-QMMMGPOBSA-N 0 3 237.294 0.283 20 0 BCADHN CCC[C@@H](N)c1cn(-c2ccn(C)n2)nn1 ZINC000229930462 490366823 /nfs/dbraw/zinc/36/68/23/490366823.db2.gz TYRAIPCWGATWAA-MRVPVSSYSA-N 0 3 220.280 0.801 20 0 BCADHN CC[C@H](N)c1cn(Cc2ccn(C)n2)nn1 ZINC000229938469 490367390 /nfs/dbraw/zinc/36/73/90/490367390.db2.gz IOLBXJRKRZCKMA-VIFPVBQESA-N 0 3 220.280 0.470 20 0 BCADHN Cc1nc[nH]c1CNC(=O)C1(N)CCCC1 ZINC000335249281 180118419 /nfs/dbraw/zinc/11/84/19/180118419.db2.gz LIFCPCTVFDJYPV-UHFFFAOYSA-N 0 3 222.292 0.606 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000335661459 180118546 /nfs/dbraw/zinc/11/85/46/180118546.db2.gz DXJXCEWYRRJPSK-WCBMZHEXSA-N 0 3 236.319 0.722 20 0 BCADHN Cc1ncc(CN[C@H](C)CN(C)C)cn1 ZINC000336737487 180155788 /nfs/dbraw/zinc/15/57/88/180155788.db2.gz QECUDHFWOWLXMV-SECBINFHSA-N 0 3 208.309 0.825 20 0 BCADHN Cc1ncc(CN[C@H](C)CC(N)=O)s1 ZINC000129355898 180156229 /nfs/dbraw/zinc/15/62/29/180156229.db2.gz CNOJUPVKHGACHW-ZCFIWIBFSA-N 0 3 213.306 0.805 20 0 BCADHN Cc1cc(CNC[C@H]2COCCN2C)ccn1 ZINC000623714354 350193496 /nfs/dbraw/zinc/19/34/96/350193496.db2.gz ZZVWWJGODNYSJB-ZDUSSCGKSA-N 0 3 235.331 0.810 20 0 BCADHN Cc1ncc(NC(=O)/C=C/CN(C)C)cn1 ZINC000265689525 180164502 /nfs/dbraw/zinc/16/45/02/180164502.db2.gz MXFAQMMQYUFNCB-SNAWJCMRSA-N 0 3 220.276 0.841 20 0 BCADHN CC1(C)NC(=O)CC[C@H]1NC[C@H](O)C(F)F ZINC000309814205 191067448 /nfs/dbraw/zinc/06/74/48/191067448.db2.gz UYMKKXRFJNLBNY-NKWVEPMBSA-N 0 3 236.262 0.259 20 0 BCADHN CC[C@@]1(C)CCN(CC(=O)N2CCNC2=O)C1 ZINC000532645940 323286450 /nfs/dbraw/zinc/28/64/50/323286450.db2.gz VHALFSMHTYLFCF-LBPRGKRZSA-N 0 3 239.319 0.660 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-][C@@H](C)CC[NH3+])s1 ZINC000308876613 180171657 /nfs/dbraw/zinc/17/16/57/180171657.db2.gz DDGJPJVBGDCELI-LURJTMIESA-N 0 3 249.361 0.467 20 0 BCADHN Cc1ncc(S(=O)(=O)N(C)C2CNC2)s1 ZINC000234267445 180172538 /nfs/dbraw/zinc/17/25/38/180172538.db2.gz BIOIUSFCOAWPNQ-UHFFFAOYSA-N 0 3 247.345 0.044 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-]C[C@H](C)C[NH3+])s1 ZINC000336758291 180172817 /nfs/dbraw/zinc/17/28/17/180172817.db2.gz ZNGBAMGNHCMUIB-ZCFIWIBFSA-N 0 3 249.361 0.325 20 0 BCADHN Cc1ncc(CN2CC[C@H](CO)C2)n1C ZINC000013570102 180144886 /nfs/dbraw/zinc/14/48/86/180144886.db2.gz XBRXQAGNAMLHEG-JTQLQIEISA-N 0 3 209.293 0.543 20 0 BCADHN Cc1ncc(CN2CC[C@@](C)(C(N)=O)C2)cn1 ZINC000352402567 180145455 /nfs/dbraw/zinc/14/54/55/180145455.db2.gz ORUKSJWIEXXESH-GFCCVEGCSA-N 0 3 234.303 0.482 20 0 BCADHN Cc1ncc(CN2C[C@H](C)[C@H](CO)C2)cn1 ZINC000352404360 180145894 /nfs/dbraw/zinc/14/58/94/180145894.db2.gz AVWADGPUSZDGNL-CABZTGNLSA-N 0 3 221.304 0.845 20 0 BCADHN CN1CCC[C@H]1CNC(=O)Nc1nncs1 ZINC000049069937 191070747 /nfs/dbraw/zinc/07/07/47/191070747.db2.gz BXICLLBSVDLLBW-ZETCQYMHSA-N 0 3 241.320 0.754 20 0 BCADHN Cc1ncc(CNCCn2cccn2)cn1 ZINC000336729015 180152586 /nfs/dbraw/zinc/15/25/86/180152586.db2.gz HJYLLLCFWSHEDO-UHFFFAOYSA-N 0 3 217.276 0.771 20 0 BCADHN C[C@H]1CN(Cc2ccn(C)c2)CCN1CCO ZINC000428470078 191078362 /nfs/dbraw/zinc/07/83/62/191078362.db2.gz YPXIQBDDAJYSAL-LBPRGKRZSA-N 0 3 237.347 0.524 20 0 BCADHN C[C@H]1CCCN(CCNC(=O)C(C)(C)O)C1 ZINC000427512257 191079261 /nfs/dbraw/zinc/07/92/61/191079261.db2.gz SOOUWOUALFVQPR-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN Cc1nccc(CN2C[C@@H](C)[C@H](CO)C2)n1 ZINC000353210048 180185592 /nfs/dbraw/zinc/18/55/92/180185592.db2.gz OSPKBTUDNAPQIS-KOLCDFICSA-N 0 3 221.304 0.845 20 0 BCADHN Cc1ncccc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358051862 180214291 /nfs/dbraw/zinc/21/42/91/180214291.db2.gz SAERSXKFFLUTFG-CYBMUJFWSA-N 0 3 249.314 0.186 20 0 BCADHN Cc1ncccc1CC(=O)N(C)CCN(C)C ZINC000286286564 180215192 /nfs/dbraw/zinc/21/51/92/180215192.db2.gz WFIKAFKSDHYIMR-UHFFFAOYSA-N 0 3 235.331 0.953 20 0 BCADHN Cc1nccn1CCCN(C)CC(=O)N(C)C ZINC000124728388 180234646 /nfs/dbraw/zinc/23/46/46/180234646.db2.gz CRJXVXZMASNXAP-UHFFFAOYSA-N 0 3 238.335 0.602 20 0 BCADHN Cc1nccn1CCCN(C)C(=O)[C@@H](C)N ZINC000157866929 180234767 /nfs/dbraw/zinc/23/47/67/180234767.db2.gz SUKCCRGVARASHO-SECBINFHSA-N 0 3 224.308 0.387 20 0 BCADHN Cc1nccn1CCCCNC(=O)CN(C)C ZINC000175814910 180237238 /nfs/dbraw/zinc/23/72/38/180237238.db2.gz UEJGDUJTXKBZOL-UHFFFAOYSA-N 0 3 238.335 0.650 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2ccncn2)CCN1C ZINC000427518396 191079999 /nfs/dbraw/zinc/07/99/99/191079999.db2.gz FJLWEKWHTFPCJZ-UWVGGRQHSA-N 0 3 234.303 0.689 20 0 BCADHN Cc1conc1C(=O)NC[C@@H]1CCCN1C ZINC000631282905 350244058 /nfs/dbraw/zinc/24/40/58/350244058.db2.gz BFQNBHKBUDTMGY-VIFPVBQESA-N 0 3 223.276 0.807 20 0 BCADHN Cc1nccn1CCN1CCOC[C@H]1C ZINC000270681918 180254929 /nfs/dbraw/zinc/25/49/29/180254929.db2.gz VEMQXUHENLNERG-SNVBAGLBSA-N 0 3 209.293 0.912 20 0 BCADHN CN(CCNC[C@](C)(O)C(F)(F)F)C1CC1 ZINC000309270835 350248154 /nfs/dbraw/zinc/24/81/54/350248154.db2.gz KXQBWOHHDKASRJ-VIFPVBQESA-N 0 3 240.269 0.984 20 0 BCADHN COCCOCC(=O)N(C)C1CCN(C)CC1 ZINC000068468477 350254436 /nfs/dbraw/zinc/25/44/36/350254436.db2.gz XIZLGSAIRFLLJD-UHFFFAOYSA-N 0 3 244.335 0.202 20 0 BCADHN CSCC(=O)N1CCC[C@H]1CN(C)C ZINC000427719772 191090234 /nfs/dbraw/zinc/09/02/34/191090234.db2.gz CVKMWYICFMDWFR-VIFPVBQESA-N 0 3 216.350 0.902 20 0 BCADHN Cc1nccnc1CCNCc1ccnn1C ZINC000293011543 180272718 /nfs/dbraw/zinc/27/27/18/180272718.db2.gz OAOJXEZZBHFUDU-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN COCCC(=O)N1CCC[C@H]1CN(C)C ZINC000427731769 191090417 /nfs/dbraw/zinc/09/04/17/191090417.db2.gz QTKMZPQBEHDCIV-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN COCCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000618546307 350265673 /nfs/dbraw/zinc/26/56/73/350265673.db2.gz TYVSLWJCPHEAJK-SNVBAGLBSA-N 0 3 229.324 0.416 20 0 BCADHN Cc1nccn1CCN[C@H]1C(=O)NCC[C@@H]1C ZINC000282401719 180262203 /nfs/dbraw/zinc/26/22/03/180262203.db2.gz PRVNEAGHKDIKRD-GXSJLCMTSA-N 0 3 236.319 0.306 20 0 BCADHN NC(=O)NC(=O)CN1CCC[C@@H]2CCCC[C@H]21 ZINC000049971553 350270977 /nfs/dbraw/zinc/27/09/77/350270977.db2.gz VANRBHREONPITC-VHSXEESVSA-N 0 3 239.319 0.836 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)C(C)(C)O ZINC000427829449 191092726 /nfs/dbraw/zinc/09/27/26/191092726.db2.gz CSCWACDGAJARHE-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN Cc1nccnc1CCNC(=O)/C=C/CN(C)C ZINC000294598201 180271050 /nfs/dbraw/zinc/27/10/50/180271050.db2.gz ORXYZMOGVIETLA-SNAWJCMRSA-N 0 3 248.330 0.562 20 0 BCADHN C[C@@H]1CCN(CCNCc2cc[nH]n2)C1 ZINC000309158695 323321022 /nfs/dbraw/zinc/32/10/22/323321022.db2.gz YCZBNCCKQYISRU-SNVBAGLBSA-N 0 3 208.309 0.841 20 0 BCADHN COC[C@@H](O)CN1CCN(CC2CC2)CC1 ZINC000068891128 350299554 /nfs/dbraw/zinc/29/95/54/350299554.db2.gz PGOYXZCSWKTBNU-LBPRGKRZSA-N 0 3 228.336 0.021 20 0 BCADHN CCOC[C@H](O)CN1CCN(C(C)C)CC1 ZINC000068890504 350299577 /nfs/dbraw/zinc/29/95/77/350299577.db2.gz HLYRRVFHQYKFHJ-GFCCVEGCSA-N 0 3 230.352 0.410 20 0 BCADHN CSCCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000563913861 323321109 /nfs/dbraw/zinc/32/11/09/323321109.db2.gz UNBMSOYRNDOLND-UWVGGRQHSA-N 0 3 219.350 0.415 20 0 BCADHN Cc1ncncc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000263989377 180293535 /nfs/dbraw/zinc/29/35/35/180293535.db2.gz FTLBPTGQIZWPFQ-SNVBAGLBSA-N 0 3 234.303 0.561 20 0 BCADHN Cc1ncncc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000408226123 180294129 /nfs/dbraw/zinc/29/41/29/180294129.db2.gz LZDSKBHVVPWAOS-GXSJLCMTSA-N 0 3 248.330 0.998 20 0 BCADHN O=S1(=O)CCC[C@@H](NCCN2CCCC2)C1 ZINC000068939578 350312767 /nfs/dbraw/zinc/31/27/67/350312767.db2.gz DHSJSSQKXWKHAT-LLVKDONJSA-N 0 3 246.376 0.249 20 0 BCADHN CCOC[C@H](O)CN(CCOC)C1CC1 ZINC000068950641 350313026 /nfs/dbraw/zinc/31/30/26/350313026.db2.gz SOALBJJNQZGBRV-LLVKDONJSA-N 0 3 217.309 0.495 20 0 BCADHN CC(C)N(C)CCN[C@@H]1CCCS(=O)(=O)C1 ZINC000068940381 350314149 /nfs/dbraw/zinc/31/41/49/350314149.db2.gz PVQSBXHQSLCSJD-LLVKDONJSA-N 0 3 248.392 0.493 20 0 BCADHN C[C@H](CCN(C)C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000068940221 350314211 /nfs/dbraw/zinc/31/42/11/350314211.db2.gz NIPQBSMCZWVERW-GHMZBOCLSA-N 0 3 248.392 0.493 20 0 BCADHN Cc1nccnc1[C@@H](C)NCCN(C)C ZINC000235190851 180279756 /nfs/dbraw/zinc/27/97/56/180279756.db2.gz JQUVELKQFRATQG-SNVBAGLBSA-N 0 3 208.309 0.997 20 0 BCADHN Cc1nccnc1[C@@H](C)NCC(C)(C)C(N)=O ZINC000188297437 180280113 /nfs/dbraw/zinc/28/01/13/180280113.db2.gz GDGWPJSLBBFNCF-SECBINFHSA-N 0 3 236.319 0.947 20 0 BCADHN C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)O)CCN1C ZINC000427858951 191095616 /nfs/dbraw/zinc/09/56/16/191095616.db2.gz UZPHWNWBTUQHEU-NXEZZACHSA-N 0 3 228.336 0.698 20 0 BCADHN Cc1ncsc1CN(C)C(=O)C1(N)CC1 ZINC000083836234 180312848 /nfs/dbraw/zinc/31/28/48/180312848.db2.gz NLHCZGKHRZUGDW-UHFFFAOYSA-N 0 3 225.317 0.901 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)Nc1nncs1 ZINC000039407739 350337678 /nfs/dbraw/zinc/33/76/78/350337678.db2.gz XZJCBRQVHFDCQQ-RITPCOANSA-N 0 3 214.294 0.850 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1C[C@@H]1N)c1ccccn1 ZINC000050458605 350342657 /nfs/dbraw/zinc/34/26/57/350342657.db2.gz AEOKKZILJZBXRH-HLTSFMKQSA-N 0 3 205.261 0.606 20 0 BCADHN CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H]1C[C@@H]1N ZINC000050458926 350342884 /nfs/dbraw/zinc/34/28/84/350342884.db2.gz OPKONCCEUPZUET-JLIMGVALSA-N 0 3 212.293 0.360 20 0 BCADHN Cc1ncsc1CCN(C)CCOCCO ZINC000282619407 180307617 /nfs/dbraw/zinc/30/76/17/180307617.db2.gz XUCPTLYMXRFRRU-UHFFFAOYSA-N 0 3 244.360 0.935 20 0 BCADHN Cc1ncsc1CCN1C[C@@H](O)[C@H](O)C1 ZINC000235804172 180308737 /nfs/dbraw/zinc/30/87/37/180308737.db2.gz MDKLFTLFOCFZQC-RKDXNWHRSA-N 0 3 228.317 0.031 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)CC)on1 ZINC000309385662 350366919 /nfs/dbraw/zinc/36/69/19/350366919.db2.gz FBTDEDVMMYCDNN-VIFPVBQESA-N 0 3 211.265 0.591 20 0 BCADHN C[C@@H]1C[C@H](NC[C@@H](O)C(F)F)[C@H](C)O1 ZINC000384551266 350379287 /nfs/dbraw/zinc/37/92/87/350379287.db2.gz GFPZYCMQMOBXGU-VGRMVHKJSA-N 0 3 209.236 0.768 20 0 BCADHN CN1CCC(C(=O)NC[C@H](CO)C2CC2)CC1 ZINC000427872771 191098638 /nfs/dbraw/zinc/09/86/38/191098638.db2.gz JVNNJMIVTBMVRJ-GFCCVEGCSA-N 0 3 240.347 0.463 20 0 BCADHN CC(C)(CO)CNCc1cccc(C(N)=O)c1 ZINC000126351322 490491060 /nfs/dbraw/zinc/49/10/60/490491060.db2.gz KJGPUBQGYLIRBD-UHFFFAOYSA-N 0 3 236.315 0.894 20 0 BCADHN C[C@H](NC(=O)NC1CCN(C)CC1)C(C)(C)O ZINC000606621279 350393865 /nfs/dbraw/zinc/39/38/65/350393865.db2.gz KEWGGDOTUVNQPA-VIFPVBQESA-N 0 3 243.351 0.539 20 0 BCADHN Cc1ncsc1CNC(=O)C(C)(C)N ZINC000070837480 180317863 /nfs/dbraw/zinc/31/78/63/180317863.db2.gz ZNJDBLBLVXIGOS-UHFFFAOYSA-N 0 3 213.306 0.805 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@@H]1CCOC1 ZINC000075135067 180342599 /nfs/dbraw/zinc/34/25/99/180342599.db2.gz GSVSZNOHEMSCPQ-SNVBAGLBSA-N 0 3 209.293 0.915 20 0 BCADHN Cc1nn(C)c(NC(=O)[C@@]2(F)CCNC2)c1C ZINC000366327180 180356310 /nfs/dbraw/zinc/35/63/10/180356310.db2.gz STDOTVWBOCEYRU-LLVKDONJSA-N 0 3 240.282 0.677 20 0 BCADHN Cc1nn(C)c(NC(=O)CNCC2CC2)c1C ZINC000269255465 180357416 /nfs/dbraw/zinc/35/74/16/180357416.db2.gz VWFXJAVXEYZFRZ-UHFFFAOYSA-N 0 3 236.319 0.975 20 0 BCADHN Cc1nn(C)c(NC(=O)[C@]2(F)CCNC2)c1C ZINC000366327181 180358561 /nfs/dbraw/zinc/35/85/61/180358561.db2.gz STDOTVWBOCEYRU-NSHDSACASA-N 0 3 240.282 0.677 20 0 BCADHN CC(C)CN1CCN(Cc2cn(C)nn2)CC1 ZINC000336701590 350458298 /nfs/dbraw/zinc/45/82/98/350458298.db2.gz NETMPZKXRDDKKO-UHFFFAOYSA-N 0 3 237.351 0.589 20 0 BCADHN Cc1nn(C)cc1CN[C@]1(C)CCOC1 ZINC000120112900 180375117 /nfs/dbraw/zinc/37/51/17/180375117.db2.gz NYNLFBSAHXQPKH-LLVKDONJSA-N 0 3 209.293 0.997 20 0 BCADHN Cc1nn(C)cc1CN[C@H]1CCC[C@@H]1O ZINC000162663922 180375510 /nfs/dbraw/zinc/37/55/10/180375510.db2.gz FLXOEVSNKFJZPV-QWRGUYRKSA-N 0 3 209.293 0.732 20 0 BCADHN CCCCOCCN(C)[C@]1(CO)CCOC1 ZINC000359577313 323354501 /nfs/dbraw/zinc/35/45/01/323354501.db2.gz PWCLVMAJRWVCAQ-LBPRGKRZSA-N 0 3 231.336 0.886 20 0 BCADHN CC(=O)N1CC[C@@H](NC(=O)[C@H](N)CC(C)C)C1 ZINC000163165002 350508815 /nfs/dbraw/zinc/50/88/15/350508815.db2.gz FLRXGGXJTBMFKL-GHMZBOCLSA-N 0 3 241.335 0.097 20 0 BCADHN CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)CC(C)C)C1 ZINC000163164893 350509048 /nfs/dbraw/zinc/50/90/48/350509048.db2.gz FLRXGGXJTBMFKL-MNOVXSKESA-N 0 3 241.335 0.097 20 0 BCADHN O=C(C[C@H]1C=CCC1)NC[C@H]1CNCCO1 ZINC000227784896 350514780 /nfs/dbraw/zinc/51/47/80/350514780.db2.gz QEZGRPMJFJMFSV-WDEREUQCSA-N 0 3 224.304 0.447 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CC=CCC1 ZINC000227784870 350515011 /nfs/dbraw/zinc/51/50/11/350515011.db2.gz CNOJSZMTUHDVBM-MNOVXSKESA-N 0 3 224.304 0.447 20 0 BCADHN CC[C@@H](O)CNC(=O)NC[C@H]1CCCN1C ZINC000637379464 350504169 /nfs/dbraw/zinc/50/41/69/350504169.db2.gz OWZOXSJMSONADV-NXEZZACHSA-N 0 3 229.324 0.151 20 0 BCADHN CCN(CCO)C(=O)[C@H](C(C)C)N(C)C ZINC000163097242 350505001 /nfs/dbraw/zinc/50/50/01/350505001.db2.gz HFPZAMXKTDFYDH-JTQLQIEISA-N 0 3 216.325 0.413 20 0 BCADHN C[C@H](O)C[C@H]1CCCCN1CC(=O)N(C)C ZINC000163111426 350505593 /nfs/dbraw/zinc/50/55/93/350505593.db2.gz HNOKPFGKTDBWDU-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H](NC(=O)[C@]1(F)CCNC1)c1ccccn1 ZINC000163552391 350528431 /nfs/dbraw/zinc/52/84/31/350528431.db2.gz AZSQSPCTXXCEAA-CABZTGNLSA-N 0 3 237.278 0.960 20 0 BCADHN C[C@H](NC(=O)[C@@]1(F)CCNC1)c1ccccn1 ZINC000163552615 350529035 /nfs/dbraw/zinc/52/90/35/350529035.db2.gz AZSQSPCTXXCEAA-JOYOIKCWSA-N 0 3 237.278 0.960 20 0 BCADHN CO[C@@H]1C[C@@H](CO)N(Cc2cc[nH]c2)C1 ZINC000344027535 538095037 /nfs/dbraw/zinc/09/50/37/538095037.db2.gz IJDUZFZTTSTTFE-WDEREUQCSA-N 0 3 210.277 0.596 20 0 BCADHN O=C(COCC(F)F)NCCN1CCCC1 ZINC000623544933 362965799 /nfs/dbraw/zinc/96/57/99/362965799.db2.gz SNYMOJJOFWNZOI-UHFFFAOYSA-N 0 3 236.262 0.480 20 0 BCADHN CCn1cc(CNC[C@@H]2COCCN2C)cn1 ZINC000623711512 362963615 /nfs/dbraw/zinc/96/36/15/362963615.db2.gz HGVXRECAYXBGDF-GFCCVEGCSA-N 0 3 238.335 0.323 20 0 BCADHN CC[C@H](COC)N[C@@H]1CCS(=O)(=O)C1 ZINC000070623638 350551720 /nfs/dbraw/zinc/55/17/20/350551720.db2.gz IUKUZBUYDACHIP-RKDXNWHRSA-N 0 3 221.322 0.188 20 0 BCADHN CC[C@@H](COC)NC(=O)[C@H](N)C(C)C ZINC000070626170 350555314 /nfs/dbraw/zinc/55/53/14/350555314.db2.gz HABAVJAIZKJGII-DTWKUNHWSA-N 0 3 202.298 0.511 20 0 BCADHN Cc1cccc(CN(C)CCC(N)=O)n1 ZINC000094590019 350589790 /nfs/dbraw/zinc/58/97/90/350589790.db2.gz SPRYCBPRWCBYQF-UHFFFAOYSA-N 0 3 207.277 0.697 20 0 BCADHN CNC(=O)C1CN(Cc2cccc3n[nH]cc32)C1 ZINC000628307350 350598644 /nfs/dbraw/zinc/59/86/44/350598644.db2.gz FDFZBZPOXJWQPY-UHFFFAOYSA-N 0 3 244.298 0.741 20 0 BCADHN C[C@H](CO)NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000606704070 350599538 /nfs/dbraw/zinc/59/95/38/350599538.db2.gz NUQXXNUCIHJHLT-KOLCDFICSA-N 0 3 241.335 0.151 20 0 BCADHN CN(C)C(=O)CC(=O)NC[C@@H](N)c1ccccc1 ZINC000152043671 191114438 /nfs/dbraw/zinc/11/44/38/191114438.db2.gz WOBGTAIISGQIBO-LLVKDONJSA-N 0 3 249.314 0.281 20 0 BCADHN CNC(=O)CCCNCc1cnc(C)o1 ZINC000397957920 362973349 /nfs/dbraw/zinc/97/33/49/362973349.db2.gz SVBHIBHTNGQSTI-UHFFFAOYSA-N 0 3 211.265 0.599 20 0 BCADHN NC1(C(=O)N2CCC(CCO)CC2)CC1 ZINC000401085426 362974117 /nfs/dbraw/zinc/97/41/17/362974117.db2.gz UXNQLJVEEDEEJZ-UHFFFAOYSA-N 0 3 212.293 0.099 20 0 BCADHN CCOC[C@H](O)CN(C)[C@@H]1CCOC1 ZINC000096544171 350680748 /nfs/dbraw/zinc/68/07/48/350680748.db2.gz RLVXCMSCMRCLLW-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN CC[C@H](N)C(=O)N(C)CCc1nccs1 ZINC000309512117 350685402 /nfs/dbraw/zinc/68/54/02/350685402.db2.gz XPXJHQVXOWMXGK-QMMMGPOBSA-N 0 3 227.333 0.881 20 0 BCADHN COC(=O)[C@](C)(O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000234549422 350699180 /nfs/dbraw/zinc/69/91/80/350699180.db2.gz CPYPBXCWHFPZTI-CKYFFXLPSA-N 0 3 243.303 0.068 20 0 BCADHN OCc1cn([C@H]2CCCN(CCCF)C2)nn1 ZINC000339418956 350756030 /nfs/dbraw/zinc/75/60/30/350756030.db2.gz YVCSJSVVGVVDEO-NSHDSACASA-N 0 3 242.298 0.767 20 0 BCADHN CCO[C@@H]1C[C@H]1NC(=O)C1CCN(C)CC1 ZINC000577580942 366003949 /nfs/dbraw/zinc/00/39/49/366003949.db2.gz JKHGHJBCELDWGX-GHMZBOCLSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@H](C)C(=O)NCC1(N(C)C)CCC1 ZINC000097936282 350726295 /nfs/dbraw/zinc/72/62/95/350726295.db2.gz QIGOHFQCCRLKGY-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN CCOCC(=O)NCC1(N(C)C)CCC1 ZINC000097936287 350726480 /nfs/dbraw/zinc/72/64/80/350726480.db2.gz VXAVOAQLKBWIFQ-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CC[C@@H](O)CN1CCSC[C@@H]1CCO ZINC000339019037 350728009 /nfs/dbraw/zinc/72/80/09/350728009.db2.gz OZSDWCIXAGZQEA-VHSXEESVSA-N 0 3 219.350 0.557 20 0 BCADHN CCCCS(=O)(=O)C(C)C(=O)NC1CC1 ZINC000339035946 350728371 /nfs/dbraw/zinc/72/83/71/350728371.db2.gz QKHRRFHKRXGKAG-MRVPVSSYSA-N 0 3 233.333 0.868 20 0 BCADHN CC[C@@H](O)CN1CC[C@H](N2CCCC2=O)C1 ZINC000339055942 350729398 /nfs/dbraw/zinc/72/93/98/350729398.db2.gz HNDUPTVZDOQZHP-WDEREUQCSA-N 0 3 226.320 0.454 20 0 BCADHN CN(C)CC(C)(C)NC(=O)NCc1cocn1 ZINC000637577573 350730193 /nfs/dbraw/zinc/73/01/93/350730193.db2.gz WQUKUKYNGKMUBX-UHFFFAOYSA-N 0 3 240.307 0.814 20 0 BCADHN CCN1CCC(NC(=O)N(C)CCOC)CC1 ZINC000339519509 350763704 /nfs/dbraw/zinc/76/37/04/350763704.db2.gz SUDLCTBYKBJXHT-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN C[C@H]1CC(NC(=O)C2(N)CC2)C[C@H](C)O1 ZINC000309492473 323417106 /nfs/dbraw/zinc/41/71/06/323417106.db2.gz SOYBEWOHWSTSJU-YUMQZZPRSA-N 0 3 212.293 0.550 20 0 BCADHN CCc1nnc(CN2C[C@@H](C)N(C)[C@H](C)C2)[nH]1 ZINC000339621447 350768409 /nfs/dbraw/zinc/76/84/09/350768409.db2.gz HCVRTYKQSDXTPN-NXEZZACHSA-N 0 3 237.351 0.892 20 0 BCADHN CCc1nc(CN2C[C@@H](C)N(C)[C@H](C)C2)n[nH]1 ZINC000339621447 350768414 /nfs/dbraw/zinc/76/84/14/350768414.db2.gz HCVRTYKQSDXTPN-NXEZZACHSA-N 0 3 237.351 0.892 20 0 BCADHN CCc1nnc(CN2C[C@H](C)N(C)[C@@H](C)C2)[nH]1 ZINC000339621448 350768688 /nfs/dbraw/zinc/76/86/88/350768688.db2.gz HCVRTYKQSDXTPN-UWVGGRQHSA-N 0 3 237.351 0.892 20 0 BCADHN CCc1nc(CN2C[C@H](C)N(C)[C@@H](C)C2)n[nH]1 ZINC000339621448 350768690 /nfs/dbraw/zinc/76/86/90/350768690.db2.gz HCVRTYKQSDXTPN-UWVGGRQHSA-N 0 3 237.351 0.892 20 0 BCADHN CC(C)(C)N1CC[C@@H](NC(=O)[C@H](O)C2CC2)C1 ZINC000617343056 350772660 /nfs/dbraw/zinc/77/26/60/350772660.db2.gz KYBYZLBLPPSSMJ-GHMZBOCLSA-N 0 3 240.347 0.746 20 0 BCADHN CC(C)(C)N1CC[C@H](NC(=O)[C@@H](O)C2CC2)C1 ZINC000617343058 350772940 /nfs/dbraw/zinc/77/29/40/350772940.db2.gz KYBYZLBLPPSSMJ-QWRGUYRKSA-N 0 3 240.347 0.746 20 0 BCADHN OC[C@@H]1CN(Cc2cccc3n[nH]cc32)C[C@H]1O ZINC000628308279 350781427 /nfs/dbraw/zinc/78/14/27/350781427.db2.gz FRBUSJLUIWZAEA-GXFFZTMASA-N 0 3 247.298 0.348 20 0 BCADHN OC[C@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@@H]1O ZINC000628308551 350783459 /nfs/dbraw/zinc/78/34/59/350783459.db2.gz VYCCDSGEMNXQKM-OCCSQVGLSA-N 0 3 246.310 0.953 20 0 BCADHN CC(C)OCCNC(=O)[C@H](C)NC1CC1 ZINC000382991764 350823312 /nfs/dbraw/zinc/82/33/12/350823312.db2.gz YQXYWGDPEQKXGX-VIFPVBQESA-N 0 3 214.309 0.668 20 0 BCADHN Cc1ncc(CN2CC[C@H](C(=O)N(C)C)C2)o1 ZINC000628310403 350802426 /nfs/dbraw/zinc/80/24/26/350802426.db2.gz CIDHBALPYCVBFO-JTQLQIEISA-N 0 3 237.303 0.893 20 0 BCADHN CC(C)CN1CCCN([C@H]2CCNC2=O)CC1 ZINC000366545641 350868164 /nfs/dbraw/zinc/86/81/64/350868164.db2.gz JREAVAOUWBQJNZ-LBPRGKRZSA-N 0 3 239.363 0.539 20 0 BCADHN CCn1nnc(C)c1CNCCc1cncn1C ZINC000623085735 350842826 /nfs/dbraw/zinc/84/28/26/350842826.db2.gz BMIKZBUYBKGBOR-UHFFFAOYSA-N 0 3 248.334 0.672 20 0 BCADHN Cc1nocc1CN(C)CCN(C)CCO ZINC000623090284 350858649 /nfs/dbraw/zinc/85/86/49/350858649.db2.gz HDGYQDQQLKPHQO-UHFFFAOYSA-N 0 3 227.308 0.339 20 0 BCADHN C[C@@H](C(=O)NC[C@@H]1CNCCO1)C(F)(F)F ZINC000577602028 366014072 /nfs/dbraw/zinc/01/40/72/366014072.db2.gz MPVAALPXHYPDMS-BQBZGAKWSA-N 0 3 240.225 0.289 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2cnc(C)o2)C1 ZINC000628315319 350877645 /nfs/dbraw/zinc/87/76/45/350877645.db2.gz HKDNYPQDLQAIGW-SECBINFHSA-N 0 3 223.276 0.551 20 0 BCADHN C[C@@H](CNCCC(C)(C)O)S(C)(=O)=O ZINC000577603459 366013505 /nfs/dbraw/zinc/01/35/05/366013505.db2.gz DHJYLNNWGASYOI-QMMMGPOBSA-N 0 3 223.338 0.170 20 0 BCADHN Cc1nocc1CNC(=O)N(C)CCN(C)C ZINC000637619422 350888062 /nfs/dbraw/zinc/88/80/62/350888062.db2.gz KZRFHZCWNPDRBE-UHFFFAOYSA-N 0 3 240.307 0.686 20 0 BCADHN CCCCCNC(=O)[C@@H](C)N1CCNCC1 ZINC000019977204 350970977 /nfs/dbraw/zinc/97/09/77/350970977.db2.gz PXPCQGHPXXLOGV-LLVKDONJSA-N 0 3 227.352 0.587 20 0 BCADHN CN1CCC[C@H](NC(=O)NCc2ccncc2)C1 ZINC000052497254 351004777 /nfs/dbraw/zinc/00/47/77/351004777.db2.gz GXYUTQKSFRAJFR-LBPRGKRZSA-N 0 3 248.330 0.975 20 0 BCADHN Nc1nc(N)nc(N2C3CCCC2CCC3)n1 ZINC000624000033 362989049 /nfs/dbraw/zinc/98/90/49/362989049.db2.gz LYSSNKHFDQPCHY-UHFFFAOYSA-N 0 3 234.307 0.608 20 0 BCADHN CCCN(CC(N)=O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000607154591 351032101 /nfs/dbraw/zinc/03/21/01/351032101.db2.gz HJWNBCXEMXBNSZ-JLLWLGSASA-N 0 3 240.347 0.997 20 0 BCADHN CCOC(=O)C1CCN(C[C@H](C)CO)CC1 ZINC000120562107 351036138 /nfs/dbraw/zinc/03/61/38/351036138.db2.gz GRNOWUKFULPVSD-JTQLQIEISA-N 0 3 229.320 0.890 20 0 BCADHN Cn1ccc(CNC[C@@]2(C)CCOC2)n1 ZINC000389897861 351049261 /nfs/dbraw/zinc/04/92/61/351049261.db2.gz BHUXWUHMMLKFGW-LLVKDONJSA-N 0 3 209.293 0.936 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CC[C@H](SC)C1 ZINC000382922018 351062847 /nfs/dbraw/zinc/06/28/47/351062847.db2.gz CMEJIYGQXCCNFX-ZJUUUORDSA-N 0 3 247.360 0.738 20 0 BCADHN CN1CC=C(CNC(=O)COCC(F)F)CC1 ZINC000626367822 351010471 /nfs/dbraw/zinc/01/04/71/351010471.db2.gz PFVIPWMOFPBZTJ-UHFFFAOYSA-N 0 3 248.273 0.646 20 0 BCADHN CC1(CN[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC000227875585 535157604 /nfs/dbraw/zinc/15/76/04/535157604.db2.gz KYVZDJMZATXMTP-SECBINFHSA-N 0 3 217.334 0.953 20 0 BCADHN C/C=C/C[C@H](CO)NC(=O)CN(CC)CC ZINC000187096475 191128751 /nfs/dbraw/zinc/12/87/51/191128751.db2.gz SDJJNRWIMPDMAF-TZOMUSMUSA-N 0 3 228.336 0.772 20 0 BCADHN OCCN1CCNC[C@H]1c1ccccc1F ZINC000616635235 351119164 /nfs/dbraw/zinc/11/91/64/351119164.db2.gz AKHKNVZUYIWHPR-LBPRGKRZSA-N 0 3 224.279 0.764 20 0 BCADHN C[C@@H](CCC1CC1)NC(=O)CN1CCNCC1 ZINC000398099393 363006182 /nfs/dbraw/zinc/00/61/82/363006182.db2.gz RQJJUTGFLVWZIP-NSHDSACASA-N 0 3 239.363 0.587 20 0 BCADHN CC[C@@](NC(=O)CNC1CC1)(C(N)=O)C(C)C ZINC000571515255 351072660 /nfs/dbraw/zinc/07/26/60/351072660.db2.gz ZDFRVOYLVOBGRJ-LBPRGKRZSA-N 0 3 241.335 0.145 20 0 BCADHN CC[C@](NC(=O)CNC1CC1)(C(N)=O)C(C)C ZINC000571515253 351072718 /nfs/dbraw/zinc/07/27/18/351072718.db2.gz ZDFRVOYLVOBGRJ-GFCCVEGCSA-N 0 3 241.335 0.145 20 0 BCADHN CCCN(CC(=O)N1CCOCC1)CC1CC1 ZINC000052890698 351075237 /nfs/dbraw/zinc/07/52/37/351075237.db2.gz QPEPIVSQMJWRCM-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN COC[C@@H](NC(=O)CNC1CC1)C(C)C ZINC000083399320 351232264 /nfs/dbraw/zinc/23/22/64/351232264.db2.gz XRAZYKVLFOKJTL-SNVBAGLBSA-N 0 3 214.309 0.526 20 0 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ZINC000637931005 351807892 /nfs/dbraw/zinc/80/78/92/351807892.db2.gz BXGOLVYESUHGNU-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@H](OC)C1)N(C)C ZINC000178018501 366076102 /nfs/dbraw/zinc/07/61/02/366076102.db2.gz ZYGAWDVQNBIARM-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CCN[C@H](C)C(=O)N1CCOC[C@H]1CC ZINC000637933934 351811218 /nfs/dbraw/zinc/81/12/18/351811218.db2.gz RNKNWKXYXRPLMR-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000637939911 351816318 /nfs/dbraw/zinc/81/63/18/351816318.db2.gz VGDKAKSMSKJQIV-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)CN1CCCC1=O ZINC000637939909 351816491 /nfs/dbraw/zinc/81/64/91/351816491.db2.gz VGDKAKSMSKJQIV-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](C)CN1CCCC1=O ZINC000637939912 351816789 /nfs/dbraw/zinc/81/67/89/351816789.db2.gz VGDKAKSMSKJQIV-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1ccnc(C)n1 ZINC000637940632 351817259 /nfs/dbraw/zinc/81/72/59/351817259.db2.gz JSKACYPFJNBNSE-QMMMGPOBSA-N 0 3 222.292 0.399 20 0 BCADHN CCN[C@H](C)C(=O)NCc1ccnc(C)n1 ZINC000637940631 351817569 /nfs/dbraw/zinc/81/75/69/351817569.db2.gz JSKACYPFJNBNSE-MRVPVSSYSA-N 0 3 222.292 0.399 20 0 BCADHN CCN[C@H](C)C(=O)NCCCc1nc(C)no1 ZINC000637980225 351857204 /nfs/dbraw/zinc/85/72/04/351857204.db2.gz XVNYONAPHWZLAB-MRVPVSSYSA-N 0 3 240.307 0.425 20 0 BCADHN C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000637983519 351858428 /nfs/dbraw/zinc/85/84/28/351858428.db2.gz OPAPEJBIPYJIPR-AATLWQCWSA-N 0 3 212.293 0.407 20 0 BCADHN CCN[C@H](C)C(=O)NCCc1nc(C)no1 ZINC000637965506 351840115 /nfs/dbraw/zinc/84/01/15/351840115.db2.gz SVJHAVJDOZGVMA-SSDOTTSWSA-N 0 3 226.280 0.035 20 0 BCADHN CCCN(CC(=O)NC)C[C@@]1(OC)CCOC1 ZINC000637965820 351840172 /nfs/dbraw/zinc/84/01/72/351840172.db2.gz VRJUNHANAZERSM-LBPRGKRZSA-N 0 3 244.335 0.250 20 0 BCADHN COC[C@@]1(C(=O)NCC(F)F)CCCCN1 ZINC000637985845 351861974 /nfs/dbraw/zinc/86/19/74/351861974.db2.gz GWYCCVFJCRCHNY-SNVBAGLBSA-N 0 3 236.262 0.526 20 0 BCADHN O=c1ccc(CN2CCC[C@H]2CO)c[nH]1 ZINC000637971272 351844502 /nfs/dbraw/zinc/84/45/02/351844502.db2.gz YWESRXHAEDFQRJ-JTQLQIEISA-N 0 3 208.261 0.744 20 0 BCADHN CCN[C@H](C)C(=O)NCC[C@H](O)CC ZINC000637970490 351845833 /nfs/dbraw/zinc/84/58/33/351845833.db2.gz GDRRZVDRSOZKID-RKDXNWHRSA-N 0 3 202.298 0.262 20 0 BCADHN COC[C@]1(C(=O)NCC(F)F)CCCCN1 ZINC000637985844 351862067 /nfs/dbraw/zinc/86/20/67/351862067.db2.gz GWYCCVFJCRCHNY-JTQLQIEISA-N 0 3 236.262 0.526 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000637974304 351849423 /nfs/dbraw/zinc/84/94/23/351849423.db2.gz RYSLTAJQPBAFQP-UWVGGRQHSA-N 0 3 241.335 0.110 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@H](O)CC(C)(C)C ZINC000638006921 351883400 /nfs/dbraw/zinc/88/34/00/351883400.db2.gz MNSZADHBOTUSSZ-VHSXEESVSA-N 0 3 230.352 0.898 20 0 BCADHN O=c1ccc(CN2CC[C@@H](CO)C2)c[nH]1 ZINC000637997141 351874703 /nfs/dbraw/zinc/87/47/03/351874703.db2.gz PRBIUEFCAZPVBU-SNVBAGLBSA-N 0 3 208.261 0.601 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@H](O)CC(C)(C)C ZINC000638006919 351883512 /nfs/dbraw/zinc/88/35/12/351883512.db2.gz MNSZADHBOTUSSZ-NXEZZACHSA-N 0 3 230.352 0.898 20 0 BCADHN CCN[C@@H](C)C(=O)N1CC[C@@H](COCC)C1 ZINC000638037626 351917635 /nfs/dbraw/zinc/91/76/35/351917635.db2.gz QSWFEKVDWCVDPL-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1c(C)ccn(C)c1=O ZINC000638042787 351921771 /nfs/dbraw/zinc/92/17/71/351921771.db2.gz UZILWVDKWKYIRN-VIFPVBQESA-N 0 3 237.303 0.630 20 0 BCADHN CO[C@H]1CN[C@@](C)(C(=O)Nc2ccccn2)C1 ZINC000638047736 351924672 /nfs/dbraw/zinc/92/46/72/351924672.db2.gz LHBWJCYUAOZCDJ-BXKDBHETSA-N 0 3 235.287 0.787 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)Nc1ccccn1 ZINC000638046945 351926594 /nfs/dbraw/zinc/92/65/94/351926594.db2.gz GZIPMKJCYDOMAH-APPZFPTMSA-N 0 3 207.233 0.136 20 0 BCADHN C[C@H](NC(=O)[C@@H]1OCC[C@@H]1N)c1ccccn1 ZINC000638049965 351927088 /nfs/dbraw/zinc/92/70/88/351927088.db2.gz JJOGOLFUBPNIDA-ATZCPNFKSA-N 0 3 235.287 0.375 20 0 BCADHN CCN[C@H](C)C(=O)NCCc1ccccn1 ZINC000638049468 351927643 /nfs/dbraw/zinc/92/76/43/351927643.db2.gz WWZAARAIJFMLSZ-SNVBAGLBSA-N 0 3 221.304 0.738 20 0 BCADHN CCN[C@@H](C)C(=O)NCCc1cscn1 ZINC000638059862 351933256 /nfs/dbraw/zinc/93/32/56/351933256.db2.gz OKNOBOUETXJHRD-QMMMGPOBSA-N 0 3 227.333 0.800 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1cnnn1C ZINC000281241273 351883685 /nfs/dbraw/zinc/88/36/85/351883685.db2.gz NEMRJUOPAUCNGM-SECBINFHSA-N 0 3 237.307 0.029 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N(C)CC[C@@H](C)O ZINC000638007746 351884562 /nfs/dbraw/zinc/88/45/62/351884562.db2.gz OTIQSXPYQZBXLH-GHMZBOCLSA-N 0 3 230.352 0.979 20 0 BCADHN CCN[C@H](C)C(=O)Nc1cnn(C)c1C ZINC000638011040 351887896 /nfs/dbraw/zinc/88/78/96/351887896.db2.gz TWBHKCPOVWDBSG-SSDOTTSWSA-N 0 3 210.281 0.665 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000638009782 351888450 /nfs/dbraw/zinc/88/84/50/351888450.db2.gz NWUVKQKASKUSOT-YTWAJWBKSA-N 0 3 240.347 0.914 20 0 BCADHN CCN[C@@H](C)C(=O)NC(C)(C)c1cnn(C)c1 ZINC000638015458 351892496 /nfs/dbraw/zinc/89/24/96/351892496.db2.gz QTPFQCOUMFEGQW-VIFPVBQESA-N 0 3 238.335 0.769 20 0 BCADHN CCN[C@@H](C)C(=O)NCCC[C@@H](O)CC ZINC000638017982 351892977 /nfs/dbraw/zinc/89/29/77/351892977.db2.gz KXTXPNUXGTWHMQ-UWVGGRQHSA-N 0 3 216.325 0.652 20 0 BCADHN CC1(CNC(=O)[C@@H]2OCC[C@@H]2N)CCC1 ZINC000638016119 351893982 /nfs/dbraw/zinc/89/39/82/351893982.db2.gz UMCNHSBNDXWDHZ-DTWKUNHWSA-N 0 3 212.293 0.409 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000638017547 351896252 /nfs/dbraw/zinc/89/62/52/351896252.db2.gz FWOIHVGICDFQQZ-MXWKQRLJSA-N 0 3 228.336 0.916 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000638017546 351896281 /nfs/dbraw/zinc/89/62/81/351896281.db2.gz FWOIHVGICDFQQZ-HBNTYKKESA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@](C)(CN(CCO)CCOC)OC ZINC000638023611 351903069 /nfs/dbraw/zinc/90/30/69/351903069.db2.gz YGXVFVIEVFSQHK-LLVKDONJSA-N 0 3 219.325 0.742 20 0 BCADHN Cc1ccncc1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638075476 351946794 /nfs/dbraw/zinc/94/67/94/351946794.db2.gz SSJPVQNUSLZKMZ-WCBMZHEXSA-N 0 3 221.260 0.445 20 0 BCADHN CCC(C)(C)[C@H](O)C(=O)NCCNCCOC ZINC000638153810 352014373 /nfs/dbraw/zinc/01/43/73/352014373.db2.gz SDVQQFJYDMQRQY-SNVBAGLBSA-N 0 3 246.351 0.136 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CC2)C[C@@H](C)S1 ZINC000083836310 351956667 /nfs/dbraw/zinc/95/66/67/351956667.db2.gz FHYHYXZABLFWQW-HTQZYQBOSA-N 0 3 214.334 0.830 20 0 BCADHN O=S1(=O)CCCC[C@H]1CNCC1(O)CCC1 ZINC000574983973 351956786 /nfs/dbraw/zinc/95/67/86/351956786.db2.gz PPAHILXAPZHUHD-JTQLQIEISA-N 0 3 247.360 0.458 20 0 BCADHN Nc1ncc(CN2C[C@H]3CCC[C@@H]3C2)c(N)n1 ZINC000638086821 351964238 /nfs/dbraw/zinc/96/42/38/351964238.db2.gz JWQYAWRRWJKIMU-RKDXNWHRSA-N 0 3 233.319 0.534 20 0 BCADHN C[C@]1(O)CCN(Cc2c[nH]c3ncncc23)C1 ZINC000638152097 352011467 /nfs/dbraw/zinc/01/14/67/352011467.db2.gz IICBUSPEFCVFFG-LBPRGKRZSA-N 0 3 232.287 0.866 20 0 BCADHN CCN[C@H](C)C(=O)N1CC(=O)Nc2cnccc21 ZINC000638089609 351967236 /nfs/dbraw/zinc/96/72/36/351967236.db2.gz BTTXMNHGILYOTQ-MRVPVSSYSA-N 0 3 248.286 0.365 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1cscn1 ZINC000638091783 351970303 /nfs/dbraw/zinc/97/03/03/351970303.db2.gz YUXQQBWTZCQXHR-ZETCQYMHSA-N 0 3 213.306 0.757 20 0 BCADHN CC[C@H](C)[C@H](CN1C[C@@H](O)[C@@H](O)C1)OC ZINC000638094534 351974401 /nfs/dbraw/zinc/97/44/01/351974401.db2.gz IXGQDJCNCOMJPD-MMWGEVLESA-N 0 3 217.309 0.085 20 0 BCADHN O[C@@H]1CN(Cc2cccc3ncccc23)C[C@@H]1O ZINC000638094532 351974473 /nfs/dbraw/zinc/97/44/73/351974473.db2.gz IVYZQBMCCAEXCX-OKILXGFUSA-N 0 3 244.294 0.772 20 0 BCADHN CCOC1CC(C(=O)NCCNCCOC)C1 ZINC000638151490 352012004 /nfs/dbraw/zinc/01/20/04/352012004.db2.gz DHRUWDABEMWAAB-UHFFFAOYSA-N 0 3 244.335 0.154 20 0 BCADHN CCN[C@H](C)C(=O)Nc1ccncc1C ZINC000638097850 351979177 /nfs/dbraw/zinc/97/91/77/351979177.db2.gz HUBFLXGXWMOBLO-SECBINFHSA-N 0 3 207.277 0.748 20 0 BCADHN CCN(Cc1ccccn1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638111221 351988933 /nfs/dbraw/zinc/98/89/33/351988933.db2.gz LROQFPZGMOBNCO-NWDGAFQWSA-N 0 3 249.314 0.546 20 0 BCADHN C[C@H]1C[C@H](C)N(Cc2cnc(N)nc2N)C1 ZINC000638112340 351989496 /nfs/dbraw/zinc/98/94/96/351989496.db2.gz YDOBEXIYZJXJGG-YUMQZZPRSA-N 0 3 221.308 0.532 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1ccc(F)cn1 ZINC000638118025 351993704 /nfs/dbraw/zinc/99/37/04/351993704.db2.gz QJLCNBZHEBYFEH-QMMMGPOBSA-N 0 3 225.267 0.835 20 0 BCADHN Cc1nn(C)cc1CNC[C@H](O)[C@@H]1CCCO1 ZINC000527759298 323681107 /nfs/dbraw/zinc/68/11/07/323681107.db2.gz SLDUISDMFSNEDO-RYUDHWBXSA-N 0 3 239.319 0.358 20 0 BCADHN CCN[C@H](C)C(=O)NCc1[nH]cnc1C ZINC000638129682 351999516 /nfs/dbraw/zinc/99/95/16/351999516.db2.gz BIUYKDMEROOUMF-MRVPVSSYSA-N 0 3 210.281 0.332 20 0 BCADHN CN(Cc1ccncc1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638142213 352005952 /nfs/dbraw/zinc/00/59/52/352005952.db2.gz QDZJRNPPNOGORF-WDEREUQCSA-N 0 3 235.287 0.156 20 0 BCADHN CN(CCC1CC1)Cc1cnc(N)nc1N ZINC000638180220 352043934 /nfs/dbraw/zinc/04/39/34/352043934.db2.gz JSNFPLPBHJKFDQ-UHFFFAOYSA-N 0 3 221.308 0.534 20 0 BCADHN CC[C@H](C)[C@@H](CN1CC[C@H](NC(N)=O)C1)OC ZINC000638183340 352046963 /nfs/dbraw/zinc/04/69/63/352046963.db2.gz QGFZCJMORSJBAH-GARJFASQSA-N 0 3 243.351 0.790 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000638198406 352061996 /nfs/dbraw/zinc/06/19/96/352061996.db2.gz JUZWGURTNSRQTF-WPRPVWTQSA-N 0 3 248.286 0.006 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000638203771 352064886 /nfs/dbraw/zinc/06/48/86/352064886.db2.gz HNPHWOKIBMOOJJ-LNFKQOIKSA-N 0 3 248.330 0.722 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000638203771 352064889 /nfs/dbraw/zinc/06/48/89/352064889.db2.gz HNPHWOKIBMOOJJ-LNFKQOIKSA-N 0 3 248.330 0.722 20 0 BCADHN COc1cccnc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000638203732 352065125 /nfs/dbraw/zinc/06/51/25/352065125.db2.gz HENYPMPUYNJTGL-VHSXEESVSA-N 0 3 249.314 0.913 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cccnn2)[C@@H]1C ZINC000638207575 352068924 /nfs/dbraw/zinc/06/89/24/352068924.db2.gz PIUZWTNYQWNUNO-RKDXNWHRSA-N 0 3 220.276 0.299 20 0 BCADHN C[C@@H]1NCCN(C(=O)COCC(F)F)[C@H]1C ZINC000638208555 352070772 /nfs/dbraw/zinc/07/07/72/352070772.db2.gz UMXWGIMGBMTOOP-YUMQZZPRSA-N 0 3 236.262 0.477 20 0 BCADHN C[C@@H]1CN(C(=O)c2cn(C3CC3)nn2)[C@H](C)CN1 ZINC000638157992 352017595 /nfs/dbraw/zinc/01/75/95/352017595.db2.gz NPGXNXUZKRXDDO-RKDXNWHRSA-N 0 3 249.318 0.435 20 0 BCADHN Cc1cncn1CC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000638155678 352018586 /nfs/dbraw/zinc/01/85/86/352018586.db2.gz FTRFESADJYTGIS-MWLCHTKSSA-N 0 3 236.319 0.400 20 0 BCADHN COC1CC(C(=O)N2C[C@@H](C)NC[C@H]2C)C1 ZINC000638156876 352020432 /nfs/dbraw/zinc/02/04/32/352020432.db2.gz JRCPFFCWPCBSAH-NKVNRFPTSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@H](C(=O)N1C[C@@H](C)NC[C@H]1C)N(C)C ZINC000638158431 352022079 /nfs/dbraw/zinc/02/20/79/352022079.db2.gz IXMMJYXEPXPYRM-OPRDCNLKSA-N 0 3 213.325 0.145 20 0 BCADHN C[C@@H]1CN(C(=O)COCC(F)F)[C@H](C)CN1 ZINC000638158569 352023132 /nfs/dbraw/zinc/02/31/32/352023132.db2.gz QPQRWLVEEUMRHF-HTQZYQBOSA-N 0 3 236.262 0.477 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1coc(CO)c1 ZINC000638159696 352023838 /nfs/dbraw/zinc/02/38/38/352023838.db2.gz SOVJJXAMYDCFQA-DTWKUNHWSA-N 0 3 238.287 0.594 20 0 BCADHN CC[C@H](NC(C)=O)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000638159748 352023849 /nfs/dbraw/zinc/02/38/49/352023849.db2.gz YHJWCIWQHRWKIP-NGZCFLSTSA-N 0 3 241.335 0.110 20 0 BCADHN CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000638159750 352024074 /nfs/dbraw/zinc/02/40/74/352024074.db2.gz YHJWCIWQHRWKIP-YWVKMMECSA-N 0 3 241.335 0.110 20 0 BCADHN CCC[C@H](CN1C[C@H](O)C[C@H](O)C1)OC ZINC000638160439 352024834 /nfs/dbraw/zinc/02/48/34/352024834.db2.gz KQJGFXKZGFUPHI-OUAUKWLOSA-N 0 3 217.309 0.229 20 0 BCADHN CCN[C@H](C)C(=O)N1CCO[C@H](C)[C@H]1C ZINC000638170890 352037804 /nfs/dbraw/zinc/03/78/04/352037804.db2.gz RTOLQMIZNRQBTL-OPRDCNLKSA-N 0 3 214.309 0.620 20 0 BCADHN COC[C@]1(C(=O)N[C@H]2CCOC2)CCCCN1 ZINC000638284930 352121877 /nfs/dbraw/zinc/12/18/77/352121877.db2.gz ITAGRNMHHLWUEZ-JQWIXIFHSA-N 0 3 242.319 0.050 20 0 BCADHN CCc1ccnc(CNC(=O)[C@@H]2OCC[C@@H]2N)c1 ZINC000638285453 352123182 /nfs/dbraw/zinc/12/31/82/352123182.db2.gz LHTXJESJMNYXLV-NWDGAFQWSA-N 0 3 249.314 0.376 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000638311158 352137053 /nfs/dbraw/zinc/13/70/53/352137053.db2.gz LXWVVUMWZHDPBI-HTQZYQBOSA-N 0 3 210.281 0.585 20 0 BCADHN c1nc(CN[C@@H]2COC[C@H]2C2CC2)c[nH]1 ZINC000725270224 538101963 /nfs/dbraw/zinc/10/19/63/538101963.db2.gz YWLADRJBCFNIEM-WDEREUQCSA-N 0 3 207.277 0.924 20 0 BCADHN c1ncc(CN[C@@H]2COC[C@H]2C2CC2)[nH]1 ZINC000725270224 538101965 /nfs/dbraw/zinc/10/19/65/538101965.db2.gz YWLADRJBCFNIEM-WDEREUQCSA-N 0 3 207.277 0.924 20 0 BCADHN CCN1CCN(Cc2cnn(C)c2)[C@H](C)C1 ZINC000286386914 352087587 /nfs/dbraw/zinc/08/75/87/352087587.db2.gz GWFMOLQOVSWHQA-LLVKDONJSA-N 0 3 222.336 0.946 20 0 BCADHN C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(F)c[n-]c1=O ZINC000638237933 352089099 /nfs/dbraw/zinc/08/90/99/352089099.db2.gz YFZIYPZTUJRIOE-RCOVLWMOSA-N 0 3 239.250 0.488 20 0 BCADHN CCN1CCN(Cc2ccnn2C)[C@@H](C)C1 ZINC000286488442 352091702 /nfs/dbraw/zinc/09/17/02/352091702.db2.gz LSUASVHGFNFEHK-NSHDSACASA-N 0 3 222.336 0.946 20 0 BCADHN Cc1nccn1CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000638246339 352092915 /nfs/dbraw/zinc/09/29/15/352092915.db2.gz BSXJPOLXEKPJHK-UWVGGRQHSA-N 0 3 240.282 0.008 20 0 BCADHN CCO[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1)C1CC1 ZINC000638249039 352095324 /nfs/dbraw/zinc/09/53/24/352095324.db2.gz VAEONAXTGNMIMW-GARJFASQSA-N 0 3 244.310 0.618 20 0 BCADHN C[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@@H](C)C1 ZINC000638307704 352135277 /nfs/dbraw/zinc/13/52/77/352135277.db2.gz SCQIRVBBIIFENL-FIQHERPVSA-N 0 3 240.347 0.997 20 0 BCADHN CCN[C@H](C)C(=O)NCc1noc(C2CC2)n1 ZINC000638278579 352114487 /nfs/dbraw/zinc/11/44/87/352114487.db2.gz JHXSOLFFNGHUPQ-SSDOTTSWSA-N 0 3 238.291 0.561 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@H]1CCC[C@@H]1OC ZINC000638278267 352114825 /nfs/dbraw/zinc/11/48/25/352114825.db2.gz ZMSCOBOQVQBZDQ-MXWKQRLJSA-N 0 3 228.336 0.916 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)COCC1CC1 ZINC000638392354 352197929 /nfs/dbraw/zinc/19/79/29/352197929.db2.gz YKIZKLLGQZALGQ-VHSXEESVSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@@H](Cc1cnccn1)N[C@H]1CCCCNC1=O ZINC000638353791 352167534 /nfs/dbraw/zinc/16/75/34/352167534.db2.gz ZLGCLDBYJRKSLF-JQWIXIFHSA-N 0 3 248.330 0.666 20 0 BCADHN C[C@@H](Cc1cnccn1)N[C@@H]1CCCCNC1=O ZINC000638353788 352167624 /nfs/dbraw/zinc/16/76/24/352167624.db2.gz ZLGCLDBYJRKSLF-CMPLNLGQSA-N 0 3 248.330 0.666 20 0 BCADHN C[C@@H]1C[C@H]1CNCc1cnc(N)nc1N ZINC000638362676 352175583 /nfs/dbraw/zinc/17/55/83/352175583.db2.gz KHNRIRVIWIEDSI-RQJHMYQMSA-N 0 3 207.281 0.047 20 0 BCADHN C[C@H]1CCCCN1CCNCc1ncnn1C ZINC000638363919 352176280 /nfs/dbraw/zinc/17/62/80/352176280.db2.gz SRZPMMLJQKPKKM-NSHDSACASA-N 0 3 237.351 0.779 20 0 BCADHN COC[C@]1(C(=O)N[C@H]2CC23CC3)CCCCN1 ZINC000638368863 352180761 /nfs/dbraw/zinc/18/07/61/352180761.db2.gz YTIOTJUOBZSDDG-GWCFXTLKSA-N 0 3 238.331 0.814 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCC(CCO)CC1 ZINC000638391351 352198848 /nfs/dbraw/zinc/19/88/48/352198848.db2.gz QBEAMKZRDULEQR-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CN(CC(F)(F)F)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638377068 352188058 /nfs/dbraw/zinc/18/80/58/352188058.db2.gz RMDAYNMCVMFISJ-NTSWFWBYSA-N 0 3 226.198 0.123 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CCS[C@@H]1C ZINC000638380529 352191005 /nfs/dbraw/zinc/19/10/05/352191005.db2.gz GGTLANBTZLXGAA-HLTSFMKQSA-N 0 3 216.350 0.995 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCOCC12CCC2 ZINC000638379612 352191744 /nfs/dbraw/zinc/19/17/44/352191744.db2.gz IZCJVBMKUKZBTN-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CCCCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638312970 352139056 /nfs/dbraw/zinc/13/90/56/352139056.db2.gz LRJPQDAQXKJCGP-OUAUKWLOSA-N 0 3 226.320 0.751 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000638317616 352142045 /nfs/dbraw/zinc/14/20/45/352142045.db2.gz MNNJEHONDOGFQU-GWOFURMSSA-N 0 3 244.335 0.293 20 0 BCADHN CCN[C@H](C)C(=O)Nc1nc2cccnc2n1C ZINC000638319547 352143028 /nfs/dbraw/zinc/14/30/28/352143028.db2.gz YAHJSWMLQMMSHU-MRVPVSSYSA-N 0 3 247.302 0.905 20 0 BCADHN CCN[C@H](C)C(=O)Nc1cn(C)nc1CC ZINC000638327465 352146898 /nfs/dbraw/zinc/14/68/98/352146898.db2.gz ZXZFXYVYQAKLBW-MRVPVSSYSA-N 0 3 224.308 0.919 20 0 BCADHN Nc1ncc(CNCCc2ccsc2)c(N)n1 ZINC000638331187 352148687 /nfs/dbraw/zinc/14/86/87/352148687.db2.gz DZXHJLIAVGSWFO-UHFFFAOYSA-N 0 3 249.343 0.696 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)c1nccn1C ZINC000638428972 352236994 /nfs/dbraw/zinc/23/69/94/352236994.db2.gz FWXJDSRQRGHDDU-IUCAKERBSA-N 0 3 224.308 0.595 20 0 BCADHN Cc1nc[nH]c1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000638430093 352238008 /nfs/dbraw/zinc/23/80/08/352238008.db2.gz HDXMTJMSHIKODF-HTQZYQBOSA-N 0 3 226.255 0.229 20 0 BCADHN C[C@H](NC(=O)[C@@]1(F)CCNC1)c1cccnc1 ZINC000163783057 352238682 /nfs/dbraw/zinc/23/86/82/352238682.db2.gz YILADQJJRBYDBN-JOYOIKCWSA-N 0 3 237.278 0.960 20 0 BCADHN C[NH2+]C[C@@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000638431485 352239518 /nfs/dbraw/zinc/23/95/18/352239518.db2.gz DXPAWDVJAARNGR-ZCFIWIBFSA-N 0 3 227.239 0.264 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638398495 352204989 /nfs/dbraw/zinc/20/49/89/352204989.db2.gz CILCGEUOORUEFM-OUAUKWLOSA-N 0 3 242.319 0.130 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638398493 352205055 /nfs/dbraw/zinc/20/50/55/352205055.db2.gz CILCGEUOORUEFM-GARJFASQSA-N 0 3 242.319 0.130 20 0 BCADHN CN(CC(C)(C)[NH3+])C(=O)c1cc(F)c[n-]c1=O ZINC000638403016 352208760 /nfs/dbraw/zinc/20/87/60/352208760.db2.gz WYQWHOYIVSIDDP-UHFFFAOYSA-N 0 3 241.266 0.736 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](CO)C1CCC1 ZINC000638405352 352212296 /nfs/dbraw/zinc/21/22/96/352212296.db2.gz YERZSCJCXKSJFP-WPRPVWTQSA-N 0 3 214.309 0.262 20 0 BCADHN CCN[C@@H](C)C(=O)NCCO[C@H]1CC1(F)F ZINC000638407675 352212749 /nfs/dbraw/zinc/21/27/49/352212749.db2.gz HXUVGVFHPNBMTB-YUMQZZPRSA-N 0 3 236.262 0.525 20 0 BCADHN C[C@H]1CCC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2N)O1 ZINC000638415964 352223709 /nfs/dbraw/zinc/22/37/09/352223709.db2.gz RRJLMBASUSMAAC-ZRUFSTJUSA-N 0 3 242.319 0.176 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](CCF)C1 ZINC000638418411 352228170 /nfs/dbraw/zinc/22/81/70/352228170.db2.gz JNWQJJACGHVACL-MXWKQRLJSA-N 0 3 244.310 0.701 20 0 BCADHN CC1(C)C[C@@]1(C)NC(=O)CN1CCNCC1 ZINC000638425799 352233080 /nfs/dbraw/zinc/23/30/80/352233080.db2.gz RKQOZNLPKOBAMQ-GFCCVEGCSA-N 0 3 225.336 0.196 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCC[C@H]1CCCOC1 ZINC000638454858 352264509 /nfs/dbraw/zinc/26/45/09/352264509.db2.gz MEZUMOBTXRCDQR-MXWKQRLJSA-N 0 3 242.319 0.036 20 0 BCADHN CO[C@@H](CN[C@H]1CCCNC1=O)C1CC1 ZINC000638457957 352268964 /nfs/dbraw/zinc/26/89/64/352268964.db2.gz ANFLAXXRWRQWRW-UWVGGRQHSA-N 0 3 212.293 0.280 20 0 BCADHN CC[C@H](N)C(=O)NCC[C@H]1CCCOC1 ZINC000638456651 352270955 /nfs/dbraw/zinc/27/09/55/352270955.db2.gz KQWQDKYJXAUBPC-ZJUUUORDSA-N 0 3 214.309 0.657 20 0 BCADHN CN1CCOC[C@H]1CNCc1ccns1 ZINC000630074859 363158936 /nfs/dbraw/zinc/15/89/36/363158936.db2.gz TWCZNXRASMOYNK-SECBINFHSA-N 0 3 227.333 0.563 20 0 BCADHN NCC(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000638461339 352274552 /nfs/dbraw/zinc/27/45/52/352274552.db2.gz USYSIMUPRNZZEY-LURJTMIESA-N 0 3 236.197 0.061 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NCCOCCF ZINC000638436776 352244396 /nfs/dbraw/zinc/24/43/96/352244396.db2.gz NTJFXFVHECWFFV-JTQLQIEISA-N 0 3 234.315 0.852 20 0 BCADHN CN(C[C@H]1CC1(C)C)C(=O)CN1CCNCC1 ZINC000638435415 352246122 /nfs/dbraw/zinc/24/61/22/352246122.db2.gz VERXGOWNZWYIFL-LLVKDONJSA-N 0 3 239.363 0.396 20 0 BCADHN [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc(=O)[n-]cn1)C2 ZINC000638442089 352251617 /nfs/dbraw/zinc/25/16/17/352251617.db2.gz OETYQGFPJCTMQG-PELKAZGASA-N 0 3 248.286 0.136 20 0 BCADHN COC1CCC(NC(=O)C(C)(C)N)CC1 ZINC000638445259 352254350 /nfs/dbraw/zinc/25/43/50/352254350.db2.gz NLVVOIXUMAHCOX-UHFFFAOYSA-N 0 3 214.309 0.798 20 0 BCADHN COCCNCC(=O)NC1CCC(OC)CC1 ZINC000638445270 352254463 /nfs/dbraw/zinc/25/44/63/352254463.db2.gz NYISGUKTKLEPAI-UHFFFAOYSA-N 0 3 244.335 0.296 20 0 BCADHN CCC(C)(C)NCc1cnc(N)nc1N ZINC000638473095 352282342 /nfs/dbraw/zinc/28/23/42/352282342.db2.gz ZRCICBNUZMOWHL-UHFFFAOYSA-N 0 3 209.297 0.580 20 0 BCADHN CNCC(=O)N[C@H]1COc2cccc(C)c2C1 ZINC000638472614 352285903 /nfs/dbraw/zinc/28/59/03/352285903.db2.gz FDLOOGATGTZRME-SNVBAGLBSA-N 0 3 234.299 0.634 20 0 BCADHN C[C@H](N[C@H]1CC(=O)N(C)C1)[C@H]1CC1(F)F ZINC000638477950 352287053 /nfs/dbraw/zinc/28/70/53/352287053.db2.gz SZMZWASLWUCELO-BIIVOSGPSA-N 0 3 218.247 0.850 20 0 BCADHN Cc1cc(C)c(NC(=O)C(=O)NCCN)c(C)c1 ZINC000037243433 358470980 /nfs/dbraw/zinc/47/09/80/358470980.db2.gz GRJBERXXXHRZMF-UHFFFAOYSA-N 0 3 249.314 0.625 20 0 BCADHN CC(C)[C@@H]1CNCCN1C(=O)[C@H](N)CC(F)F ZINC000638487624 352296351 /nfs/dbraw/zinc/29/63/51/352296351.db2.gz CEEJVKHXVDHLJP-BDAKNGLRSA-N 0 3 249.305 0.425 20 0 BCADHN CCCN(C)CC(=O)N1CCNC[C@@H]1C(C)C ZINC000638487892 352298334 /nfs/dbraw/zinc/29/83/34/352298334.db2.gz BUEHZFDMCMWALH-GFCCVEGCSA-N 0 3 241.379 0.785 20 0 BCADHN CC(C)[C@H]1CNCCN1C(=O)[C@H](C)N(C)C ZINC000638489458 352300287 /nfs/dbraw/zinc/30/02/87/352300287.db2.gz KYXHGABCUNWWJX-WDEREUQCSA-N 0 3 227.352 0.393 20 0 BCADHN CC(C)[C@H]1CNCCN1C(=O)[C@@H](C)N(C)C ZINC000638491631 352302963 /nfs/dbraw/zinc/30/29/63/352302963.db2.gz KYXHGABCUNWWJX-GHMZBOCLSA-N 0 3 227.352 0.393 20 0 BCADHN CCN(Cc1ccc(CO)o1)[C@@H](C)CO ZINC000293574426 352355175 /nfs/dbraw/zinc/35/51/75/352355175.db2.gz HFPHDQBNYXFFEF-VIFPVBQESA-N 0 3 213.277 0.975 20 0 BCADHN CC[C@@H](N)C(=O)N[C@]12C[C@H]1COC2(C)C ZINC000638513127 352337127 /nfs/dbraw/zinc/33/71/27/352337127.db2.gz LOOQLZLWFAGECU-VAOFZXAKSA-N 0 3 212.293 0.407 20 0 BCADHN CC1(C)OC[C@@H]2C[C@@]21NC(=O)CNC1CC1 ZINC000638512567 352338275 /nfs/dbraw/zinc/33/82/75/352338275.db2.gz IWAKLZBIDLGIDM-QPUJVOFHSA-N 0 3 224.304 0.422 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000638514345 352340205 /nfs/dbraw/zinc/34/02/05/352340205.db2.gz SNWWVPPYCJQEQE-KKFJDGPESA-N 0 3 238.331 0.668 20 0 BCADHN Cc1c(N)cccc1NC(=O)COC1(C)CNC1 ZINC000638525361 352359632 /nfs/dbraw/zinc/35/96/32/352359632.db2.gz BSEVYSULENBMEM-UHFFFAOYSA-N 0 3 249.314 0.894 20 0 BCADHN CN1CC=C(CNC(=O)[C@H](O)C2CC2)CC1 ZINC000613264031 352362643 /nfs/dbraw/zinc/36/26/43/352362643.db2.gz ARBFJDDRGBNCRL-LLVKDONJSA-N 0 3 224.304 0.135 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000638535059 352365157 /nfs/dbraw/zinc/36/51/57/352365157.db2.gz AOEXELWCBCMBAS-HLTSFMKQSA-N 0 3 214.334 0.830 20 0 BCADHN N[C@@H](C(=O)Nc1cnn(CCF)c1)C1CCC1 ZINC000638534159 352367965 /nfs/dbraw/zinc/36/79/65/352367965.db2.gz JLQILCIEVPSYCJ-SNVBAGLBSA-N 0 3 240.282 0.919 20 0 BCADHN NCC(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000638534294 352368021 /nfs/dbraw/zinc/36/80/21/352368021.db2.gz XLAZSOFVRABNOY-GFCCVEGCSA-N 0 3 219.288 0.998 20 0 BCADHN NC(=O)[C@H]1C[C@H](NC(=O)C2(N)CCCCC2)C1 ZINC000638542476 352372739 /nfs/dbraw/zinc/37/27/39/352372739.db2.gz YEMRAIVAWNVBOG-KYZUINATSA-N 0 3 239.319 0.028 20 0 BCADHN COC[C@](C)(CC(=O)OC)NC[C@H]1CCCO1 ZINC000411382628 191182161 /nfs/dbraw/zinc/18/21/61/191182161.db2.gz CPXZSJWTBYCJMD-PWSUYJOCSA-N 0 3 245.319 0.723 20 0 BCADHN COC[C@H](NC1CSC1)[C@H]1CCCO1 ZINC000389338366 538103112 /nfs/dbraw/zinc/10/31/12/538103112.db2.gz XFEFSCCMGGBVFF-VHSXEESVSA-N 0 3 217.334 0.885 20 0 BCADHN CCNC(=O)CN1[C@H](C)CCC[C@H]1CO ZINC000411402696 191183173 /nfs/dbraw/zinc/18/31/73/191183173.db2.gz ULOPODVPKGEZAV-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN CC(C)N(C)C(=O)CN1CCC[C@H](C)[C@@H]1CO ZINC000411392301 191183691 /nfs/dbraw/zinc/18/36/91/191183691.db2.gz CJQUMYFPTYJBBS-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN CCNC(=O)CN1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000411418175 191185394 /nfs/dbraw/zinc/18/53/94/191185394.db2.gz HCYVALCGCZCBLD-ZJUUUORDSA-N 0 3 245.392 0.100 20 0 BCADHN CCCC(C)(C)NCc1cnc(N)nc1N ZINC000638525646 352359293 /nfs/dbraw/zinc/35/92/93/352359293.db2.gz WSPBPUIDAJPUHJ-UHFFFAOYSA-N 0 3 223.324 0.970 20 0 BCADHN C[C@H]1CC[C@H](NCc2cnc(N)nc2N)CC1 ZINC000638585537 352417274 /nfs/dbraw/zinc/41/72/74/352417274.db2.gz AQWSENDBAUVPJZ-CZMCAQCFSA-N 0 3 235.335 0.970 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@@H]1[C@@H](C)O ZINC000618912092 352420994 /nfs/dbraw/zinc/42/09/94/352420994.db2.gz CARVIVQYHWHYAI-GHMZBOCLSA-N 0 3 228.336 0.698 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCC[C@H]1CCO1 ZINC000638591068 352422276 /nfs/dbraw/zinc/42/22/76/352422276.db2.gz BERAYGGOAPNDHT-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN CO[C@H]1CCCC[C@@H]1NC[C@H](C)S(C)(=O)=O ZINC000411700145 191204915 /nfs/dbraw/zinc/20/49/15/191204915.db2.gz XIQIRFNKDZJKMC-DCAQKATOSA-N 0 3 249.376 0.967 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cccnc1C ZINC000638602021 352437876 /nfs/dbraw/zinc/43/78/76/352437876.db2.gz RADYORHGEPAHAH-SNVBAGLBSA-N 0 3 207.277 0.744 20 0 BCADHN CN(CCN(C)[C@H]1CCCNC1=O)C1CC1 ZINC000411545461 191192428 /nfs/dbraw/zinc/19/24/28/191192428.db2.gz QVGUAQFYMMWWKR-NSHDSACASA-N 0 3 225.336 0.291 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCC[C@@H](C)O ZINC000411798927 191212593 /nfs/dbraw/zinc/21/25/93/191212593.db2.gz KAUUPZWSIODZPY-OPRDCNLKSA-N 0 3 203.282 0.151 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@@H]1CCC(C)(C)O1 ZINC000411817123 191213051 /nfs/dbraw/zinc/21/30/51/191213051.db2.gz JJPTXEGYBBTCOP-GARJFASQSA-N 0 3 229.320 0.947 20 0 BCADHN CNCC(=O)N1CCc2nc(C3CC3)ncc2C1 ZINC000638612987 352453393 /nfs/dbraw/zinc/45/33/93/352453393.db2.gz ZJXPAUOAAJYWBB-UHFFFAOYSA-N 0 3 246.314 0.458 20 0 BCADHN CCNC(=O)CN[C@@H](C1CC1)C(C)(C)CO ZINC000411770298 191210832 /nfs/dbraw/zinc/21/08/32/191210832.db2.gz LNSVXOLRSIPQSY-NSHDSACASA-N 0 3 228.336 0.509 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)CNC1CC1 ZINC000638628419 352467490 /nfs/dbraw/zinc/46/74/90/352467490.db2.gz KILJOHZYFGKDAD-APOZVJGGSA-N 0 3 226.320 0.667 20 0 BCADHN CSC[C@@H](C)NC(=O)N[C@H](C)CN(C)C ZINC000353551911 187721693 /nfs/dbraw/zinc/72/16/93/187721693.db2.gz LYEPTMKXEVDVTM-RKDXNWHRSA-N 0 3 233.381 0.987 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000638632192 352473260 /nfs/dbraw/zinc/47/32/60/352473260.db2.gz YCZQRCXAXVOALR-ZEBDFXRSSA-N 0 3 200.282 0.262 20 0 BCADHN CNCC(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000638632837 352474540 /nfs/dbraw/zinc/47/45/40/352474540.db2.gz PEPPZEAWRAYOET-DTWKUNHWSA-N 0 3 210.302 0.940 20 0 BCADHN COC[C@H](NCc1cnc(N)nc1N)C(C)C ZINC000638633499 352476252 /nfs/dbraw/zinc/47/62/52/352476252.db2.gz ASAUVVRVEMHKEF-VIFPVBQESA-N 0 3 239.323 0.062 20 0 BCADHN COC[C@H](CCO)N[C@H](C)Cc1cnccn1 ZINC000638650066 352493115 /nfs/dbraw/zinc/49/31/15/352493115.db2.gz RVGHGTINZZMJFM-MNOVXSKESA-N 0 3 239.319 0.395 20 0 BCADHN COC[C@H](CCO)N[C@@H](C)Cc1cnccn1 ZINC000638650067 352493150 /nfs/dbraw/zinc/49/31/50/352493150.db2.gz RVGHGTINZZMJFM-QWRGUYRKSA-N 0 3 239.319 0.395 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC(OC)CC1 ZINC000037266774 358471339 /nfs/dbraw/zinc/47/13/39/358471339.db2.gz WWHQKBOGIOZZQS-MWLCHTKSSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@@H](CCO)NCc1cc2c(cn1)OCCO2 ZINC000638660095 352501969 /nfs/dbraw/zinc/50/19/69/352501969.db2.gz PRDJSKVZJFVSBO-VIFPVBQESA-N 0 3 238.287 0.713 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCO[C@H](CCF)C1 ZINC000638684970 352522802 /nfs/dbraw/zinc/52/28/02/352522802.db2.gz WJGLIPQCDGBVJJ-NXEZZACHSA-N 0 3 232.299 0.557 20 0 BCADHN NC1(C(=O)N2CCO[C@H](CCF)C2)CCC1 ZINC000638684934 352522988 /nfs/dbraw/zinc/52/29/88/352522988.db2.gz WADHYNNSRIOVPN-SECBINFHSA-N 0 3 230.283 0.455 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@@H](CCF)C1 ZINC000638685505 352524244 /nfs/dbraw/zinc/52/42/44/352524244.db2.gz ZHMJNOKYYKCDMA-DTWKUNHWSA-N 0 3 218.272 0.311 20 0 BCADHN Nc1ncc(CNCCCC(F)(F)F)c(N)n1 ZINC000638688928 352524621 /nfs/dbraw/zinc/52/46/21/352524621.db2.gz IXVAVWGJRZFYOL-UHFFFAOYSA-N 0 3 249.240 0.734 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000638695690 352533369 /nfs/dbraw/zinc/53/33/69/352533369.db2.gz QDCNCHABYHCKLL-VWYCJHECSA-N 0 3 226.320 0.653 20 0 BCADHN CC(C)C[C@@H](C)N(C)C(=O)CN1CCNCC1 ZINC000037807385 187741987 /nfs/dbraw/zinc/74/19/87/187741987.db2.gz LXOQGWRMKIRRDS-GFCCVEGCSA-N 0 3 241.379 0.785 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000040460040 352598148 /nfs/dbraw/zinc/59/81/48/352598148.db2.gz SNCFIPINCWVTDM-LPEHRKFASA-N 0 3 246.376 0.751 20 0 BCADHN C[C@H](NC(=O)C(C)(C)N)C(=O)N1CCCCC1 ZINC000040922927 352600500 /nfs/dbraw/zinc/60/05/00/352600500.db2.gz CXZJIWKJUFRGMG-VIFPVBQESA-N 0 3 241.335 0.241 20 0 BCADHN C[C@@H](N)C(=O)NCCCOC[C@@H]1CCCO1 ZINC000040826210 352604767 /nfs/dbraw/zinc/60/47/67/352604767.db2.gz YYPAVEMJXCKXFQ-ZJUUUORDSA-N 0 3 230.308 0.036 20 0 BCADHN CSCC[C@H](N)C(=O)NCCCOC(C)C ZINC000040830663 352605055 /nfs/dbraw/zinc/60/50/55/352605055.db2.gz MZKXLILCIIITCY-JTQLQIEISA-N 0 3 248.392 0.998 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NC1(C(F)F)CC1 ZINC000638724280 352578828 /nfs/dbraw/zinc/57/88/28/352578828.db2.gz CFMJBJLZVXYTNH-ZCFIWIBFSA-N 0 3 218.247 0.898 20 0 BCADHN O=C(NCc1ccc[nH]c1=O)[C@H]1CCCCN1 ZINC000638725567 352579002 /nfs/dbraw/zinc/57/90/02/352579002.db2.gz IWQBGSZKOXSHBJ-SNVBAGLBSA-N 0 3 235.287 0.546 20 0 BCADHN CN1CCC[C@@H](NCc2ccc(CO)cc2)C1=O ZINC000638724853 352581788 /nfs/dbraw/zinc/58/17/88/352581788.db2.gz UQHLRNBDTIYJEL-CYBMUJFWSA-N 0 3 248.326 0.889 20 0 BCADHN CC(C)(C[NH3+])[N-]S(=O)(=O)c1cncc(F)c1 ZINC000044259945 352652096 /nfs/dbraw/zinc/65/20/96/352652096.db2.gz RUWKCSLLWFTCEQ-UHFFFAOYSA-N 0 3 247.295 0.236 20 0 BCADHN COC[C@@H]1C[C@H](O)CN1C[C@@H]1CC[C@@H](C)O1 ZINC000411911711 191228808 /nfs/dbraw/zinc/22/88/08/191228808.db2.gz NSWWNWIDXVWTBP-RHYQMDGZSA-N 0 3 229.320 0.636 20 0 BCADHN COC(=O)[C@@H]1CN(C)CCN(C[C@H](C)OC)C1 ZINC000411912721 191228912 /nfs/dbraw/zinc/22/89/12/191228912.db2.gz IJIVAHMFWWACKX-WDEREUQCSA-N 0 3 244.335 0.058 20 0 BCADHN COC[C@@H]1C[C@H](O)CN1C[C@H]1CC[C@H](C)O1 ZINC000411911379 191229760 /nfs/dbraw/zinc/22/97/60/191229760.db2.gz NSWWNWIDXVWTBP-FIQHERPVSA-N 0 3 229.320 0.636 20 0 BCADHN CSCC[C@H](N)C(=O)N(C)C[C@@H]1CCCO1 ZINC000042465840 352621835 /nfs/dbraw/zinc/62/18/35/352621835.db2.gz OBFHXTXJZJEZRV-UWVGGRQHSA-N 0 3 246.376 0.704 20 0 BCADHN CN1CCC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000617415376 352624296 /nfs/dbraw/zinc/62/42/96/352624296.db2.gz AFNWXVKBWYAARK-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CN1CCC(C(=O)N2CCCOCC2)CC1 ZINC000344856358 538104729 /nfs/dbraw/zinc/10/47/29/538104729.db2.gz LBJXLQFJRNKGGV-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN CCCC1(CNCc2cnc(N)nc2N)CC1 ZINC000638759607 352696514 /nfs/dbraw/zinc/69/65/14/352696514.db2.gz MFLKCMZBPJHJTE-UHFFFAOYSA-N 0 3 235.335 0.972 20 0 BCADHN CC[C@@H](C(=O)N(C)C1(COC)CC1)N(C)C ZINC000617471713 352718994 /nfs/dbraw/zinc/71/89/94/352718994.db2.gz QGAVYCPNEDNTFU-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN CO[C@H](CNCc1ccc(C(N)=O)nc1)C1CC1 ZINC000638760311 352697828 /nfs/dbraw/zinc/69/78/28/352697828.db2.gz RMECCTVXIBMAEG-GFCCVEGCSA-N 0 3 249.314 0.695 20 0 BCADHN O=C1C[C@H](NCc2ccc(F)cn2)CCCN1 ZINC000638763204 352698792 /nfs/dbraw/zinc/69/87/92/352698792.db2.gz VLAAHSGMYMGLRU-SNVBAGLBSA-N 0 3 237.278 0.979 20 0 BCADHN Nc1ncc(CN[C@@H]2CCC(F)(F)C2)c(N)n1 ZINC000638763338 352699573 /nfs/dbraw/zinc/69/95/73/352699573.db2.gz ZDYQVVZSOASDGV-SSDOTTSWSA-N 0 3 243.261 0.579 20 0 BCADHN CC(C)N1CC[C@H](N2C[C@H](O)C[C@H](C)C2)C1=O ZINC000412030471 191241891 /nfs/dbraw/zinc/24/18/91/191241891.db2.gz FNDSGGBIUNEWQF-TUAOUCFPSA-N 0 3 240.347 0.698 20 0 BCADHN CNCC(=O)Nc1ccc(COC)c(OC)c1 ZINC000638742836 352675831 /nfs/dbraw/zinc/67/58/31/352675831.db2.gz ZKGLYMKNAWVVCS-UHFFFAOYSA-N 0 3 238.287 1.000 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2cncnc2C)C1 ZINC000341911354 352731329 /nfs/dbraw/zinc/73/13/29/352731329.db2.gz NMVBWACDDQYSDA-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN CC(C)=CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000307475987 187830085 /nfs/dbraw/zinc/83/00/85/187830085.db2.gz BUSJFKNNHZZEAX-IUCAKERBSA-N 0 3 200.257 0.769 20 0 BCADHN CO[C@@]1(C)CCCN([C@H]2CCNC2=O)C1 ZINC000334186691 352775523 /nfs/dbraw/zinc/77/55/23/352775523.db2.gz GOHVXWDTAKCDGV-ONGXEEELSA-N 0 3 212.293 0.376 20 0 BCADHN COC1(C)CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000334187121 352776239 /nfs/dbraw/zinc/77/62/39/352776239.db2.gz FWDMUBHVYCFQOF-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN COC1(C)CCN([C@H]2CCN(C)C2=O)CC1 ZINC000334187117 352776339 /nfs/dbraw/zinc/77/63/39/352776339.db2.gz FWDMUBHVYCFQOF-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN CC(C)[C@@H](O)CC(=O)N1CCN(C)CC[C@H]1C ZINC000334215101 352814306 /nfs/dbraw/zinc/81/43/06/352814306.db2.gz BRTIHDQSBVMYLY-NEPJUHHUSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@H]1C[C@H](C)CN(CCS(=O)(=O)N(C)C)C1 ZINC000334215652 352814939 /nfs/dbraw/zinc/81/49/39/352814939.db2.gz ULMXYKFHDQBQKY-QWRGUYRKSA-N 0 3 248.392 0.856 20 0 BCADHN C[C@@H]1C[C@@H](C)CN(CCS(=O)(=O)N(C)C)C1 ZINC000334215644 352815017 /nfs/dbraw/zinc/81/50/17/352815017.db2.gz ULMXYKFHDQBQKY-GHMZBOCLSA-N 0 3 248.392 0.856 20 0 BCADHN CN1CCC(C(=O)N2CC(O)(C3CC3)C2)CC1 ZINC000334217613 352818960 /nfs/dbraw/zinc/81/89/60/352818960.db2.gz WZSSUKALGFQMNP-UHFFFAOYSA-N 0 3 238.331 0.312 20 0 BCADHN CN1C[C@@H](NC(=O)CO)[C@@H](c2ccccc2)C1 ZINC000334220715 352823701 /nfs/dbraw/zinc/82/37/01/352823701.db2.gz VUDVKZHSCYGCPY-VXGBXAGGSA-N 0 3 234.299 0.193 20 0 BCADHN CC(C)[C@H](O)C(=O)N(C)CC1CCN(C)CC1 ZINC000352588480 187881528 /nfs/dbraw/zinc/88/15/28/187881528.db2.gz CWGNAFIKFUFYIX-LBPRGKRZSA-N 0 3 242.363 0.804 20 0 BCADHN CC(C(=O)N1CC[C@](C)(F)C1)S(C)(=O)=O ZINC000334192196 352783339 /nfs/dbraw/zinc/78/33/39/352783339.db2.gz ISARDLKVUCKKKW-APPZFPTMSA-N 0 3 237.296 0.380 20 0 BCADHN CC(C(=O)N1CC[C@](C)(F)C1)S(C)(=O)=O ZINC000334192200 352783773 /nfs/dbraw/zinc/78/37/73/352783773.db2.gz ISARDLKVUCKKKW-CBAPKCEASA-N 0 3 237.296 0.380 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@H](CO)[C@H]1C ZINC000412068420 191251096 /nfs/dbraw/zinc/25/10/96/191251096.db2.gz GCNIRJYEBMTNND-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)[C@H]1CN([C@H]2CCN(C)C2=O)CCCO1 ZINC000334198070 352790028 /nfs/dbraw/zinc/79/00/28/352790028.db2.gz LIRLPFWBYWJPJK-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CCN1C[C@@H](C)N(CC(=O)N2CCC2)C[C@H]1C ZINC000334198701 352790704 /nfs/dbraw/zinc/79/07/04/352790704.db2.gz LTMIWPGYQQSYDW-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN COC1CCN(C(=O)N[C@@H]2CCN(C)C2)CC1 ZINC000334203393 352796825 /nfs/dbraw/zinc/79/68/25/352796825.db2.gz QQPLAQRUWAKJBC-SNVBAGLBSA-N 0 3 241.335 0.511 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@H](CO)[C@@H]1C ZINC000412080442 191253174 /nfs/dbraw/zinc/25/31/74/191253174.db2.gz LQVBFHFXYOPBKD-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN O=S1(=O)CCCN1CCN1CCCC1 ZINC000334231185 352848980 /nfs/dbraw/zinc/84/89/80/352848980.db2.gz UASWNUMCDZBXKO-UHFFFAOYSA-N 0 3 218.322 0.118 20 0 BCADHN CC[C@H]1CCCN1CC(=O)NC(=O)NC ZINC000334235009 352851713 /nfs/dbraw/zinc/85/17/13/352851713.db2.gz KCJYATXPHCFEPU-QMMMGPOBSA-N 0 3 213.281 0.316 20 0 BCADHN C[C@@H](O)[C@H]1CN(C[C@@H]2CCO[C@H](C)C2)CCO1 ZINC000412088018 191254766 /nfs/dbraw/zinc/25/47/66/191254766.db2.gz OEQFIIYDOCMABE-FDYHWXHSSA-N 0 3 243.347 0.883 20 0 BCADHN COCCN(C[C@@H]1CCC(=O)N1)C(C)C ZINC000412064474 191257102 /nfs/dbraw/zinc/25/71/02/191257102.db2.gz CHKXNRJAQYGPRU-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H](N)C(=O)NCCN(C)CC(F)F ZINC000638795993 352870569 /nfs/dbraw/zinc/87/05/69/352870569.db2.gz SFPGCLOOMBRREB-SSDOTTSWSA-N 0 3 223.267 0.037 20 0 BCADHN C[C@]1(O)CCCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000334246948 352838050 /nfs/dbraw/zinc/83/80/50/352838050.db2.gz JIPFBBYKNVFJOX-AAEUAGOBSA-N 0 3 238.331 0.597 20 0 BCADHN COCC(=O)N1CCCC12CCN(C)CC2 ZINC000334270903 352907798 /nfs/dbraw/zinc/90/77/98/352907798.db2.gz TVAPJNOMJCSBOE-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN CC(C)[C@H](C(=O)N1CC(N(C)C)C1)N(C)C ZINC000345301340 538105991 /nfs/dbraw/zinc/10/59/91/538105991.db2.gz MVZVXCSPFMUGOR-LLVKDONJSA-N 0 3 227.352 0.345 20 0 BCADHN CC(C)CCOCCN1CC[C@H](NC(N)=O)C1 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CCC[C@@](C)(N)C(=O)N[C@@H]1CCN(CC)C1=O ZINC000638825674 353006683 /nfs/dbraw/zinc/00/66/83/353006683.db2.gz VVPFUHUURQKCEX-BXKDBHETSA-N 0 3 241.335 0.241 20 0 BCADHN O=C(CN1CCNCC1)N[C@H]1CCCC12CC2 ZINC000638834296 353011319 /nfs/dbraw/zinc/01/13/19/353011319.db2.gz OCROTIXCLMHKTN-NSHDSACASA-N 0 3 237.347 0.341 20 0 BCADHN CO[C@@H](CN[C@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000638897299 353058091 /nfs/dbraw/zinc/05/80/91/353058091.db2.gz GBKFOQYSBIEHRM-JQWIXIFHSA-N 0 3 238.331 0.764 20 0 BCADHN CO[C@@H](CN[C@@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000638897300 353058099 /nfs/dbraw/zinc/05/80/99/353058099.db2.gz GBKFOQYSBIEHRM-PWSUYJOCSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@H](NCC(=O)N(C)C)[C@@H]1CC1(F)F ZINC000638864734 353038284 /nfs/dbraw/zinc/03/82/84/353038284.db2.gz CGTPTMNAYWPESJ-BQBZGAKWSA-N 0 3 206.236 0.708 20 0 BCADHN C[C@H](C[C@H]1CCCC(=O)N1)NCC(=O)N(C)C ZINC000638867106 353041037 /nfs/dbraw/zinc/04/10/37/353041037.db2.gz XGQSIYUITRVMDY-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN 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246.318 0.621 20 0 BCADHN CNC(=O)[C@H](NC[C@H](O)CSC)C(C)C ZINC000188226825 353130168 /nfs/dbraw/zinc/13/01/68/353130168.db2.gz ICUSHADWLRPUAB-DTWKUNHWSA-N 0 3 234.365 0.071 20 0 BCADHN CC(C)[C@H](O)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000352960140 188059332 /nfs/dbraw/zinc/05/93/32/188059332.db2.gz XUKKUTBNTPMHGB-RYUDHWBXSA-N 0 3 240.347 0.698 20 0 BCADHN CC(C)N(CC(=O)NC(C)(C)C)C[C@H](C)O ZINC000107044126 188059957 /nfs/dbraw/zinc/05/99/57/188059957.db2.gz OJUCYCNMGDKZLN-JTQLQIEISA-N 0 3 230.352 0.992 20 0 BCADHN NC(C(=O)NCC1CCOCC1)C(F)(F)F ZINC000353178952 188060638 /nfs/dbraw/zinc/06/06/38/188060638.db2.gz AZCXBYDUTDFWAN-ZETCQYMHSA-N 0 3 240.225 0.419 20 0 BCADHN COCCCC(=O)N(C)CCN(C)C ZINC000353125539 188061134 /nfs/dbraw/zinc/06/11/34/188061134.db2.gz FSDFSHIYPHOYJD-UHFFFAOYSA-N 0 3 202.298 0.433 20 0 BCADHN CC(C)[C@H](C(=O)N(C)C1CC(O)C1)N(C)C ZINC000354306842 188061764 /nfs/dbraw/zinc/06/17/64/188061764.db2.gz YMCXDXWAUNPWFQ-VQXHTEKXSA-N 0 3 228.336 0.554 20 0 BCADHN CC(=O)N1CCCN(CCC(=O)N(C)C)CC1 ZINC000353861999 188062139 /nfs/dbraw/zinc/06/21/39/188062139.db2.gz BLRJXLMFNHUYMO-UHFFFAOYSA-N 0 3 241.335 0.019 20 0 BCADHN CC(=O)NCCCN1CCN(C)[C@@H](C)[C@H]1C ZINC000356981041 188065784 /nfs/dbraw/zinc/06/57/84/188065784.db2.gz FRKNNPJJULRPPE-WDEREUQCSA-N 0 3 227.352 0.537 20 0 BCADHN CC(=O)NCCCN1CCN(C)[C@H](C)[C@@H]1C ZINC000356981038 188066153 /nfs/dbraw/zinc/06/61/53/188066153.db2.gz FRKNNPJJULRPPE-MNOVXSKESA-N 0 3 227.352 0.537 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C(N)C(F)(F)F)[C@H](C)O1 ZINC000638944861 353148404 /nfs/dbraw/zinc/14/84/04/353148404.db2.gz ZCSGFBAXWLGRPH-JRTVQGFMSA-N 0 3 240.225 0.558 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@@H]1CCCCNC1=O ZINC000037619995 358475591 /nfs/dbraw/zinc/47/55/91/358475591.db2.gz MAYOWIZSZQYGBJ-NXEZZACHSA-N 0 3 241.335 0.289 20 0 BCADHN CC(C)[C@@H](O)CN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000367924035 188073199 /nfs/dbraw/zinc/07/31/99/188073199.db2.gz HYJBDUFLGNEQSF-CMPLNLGQSA-N 0 3 242.319 0.578 20 0 BCADHN 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/nfs/dbraw/zinc/11/83/86/188118386.db2.gz QDMCUJYUZFGAEN-UHFFFAOYSA-N 0 3 236.271 0.769 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N1CCNCC1 ZINC000040508155 188118614 /nfs/dbraw/zinc/11/86/14/188118614.db2.gz JILMNUQBSJSZSC-LLVKDONJSA-N 0 3 225.336 0.291 20 0 BCADHN CC[C@H](N[C@H](C)COC)C(=O)N1CCOCC1 ZINC000165192217 353217526 /nfs/dbraw/zinc/21/75/26/353217526.db2.gz WRYDIKOOIXBJCK-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN COc1ccc(CCNC(=O)[C@@H](C)N)cc1F ZINC000057533360 188127688 /nfs/dbraw/zinc/12/76/88/188127688.db2.gz LOYXFLNVSWQNJO-MRVPVSSYSA-N 0 3 240.278 0.840 20 0 BCADHN CC(C)C[C@H](N)C(=O)Nc1ccnn1C ZINC000044593732 188152140 /nfs/dbraw/zinc/15/21/40/188152140.db2.gz PLRKKUUZAFMUPQ-QMMMGPOBSA-N 0 3 210.281 0.732 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCC(CC(N)=O)CC1 ZINC000037821157 188152278 /nfs/dbraw/zinc/15/22/78/188152278.db2.gz PVVGXGXCWPPJSB-NSHDSACASA-N 0 3 241.335 0.084 20 0 BCADHN CC1(C)C[C@@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000226351464 188154829 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BCADHN CCOCCN(C)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188994695 353273245 /nfs/dbraw/zinc/27/32/45/353273245.db2.gz WDDOOHNQUBQMRK-DTWKUNHWSA-N 0 3 218.272 0.181 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)Cn1cccn1 ZINC000299499714 188216059 /nfs/dbraw/zinc/21/60/59/188216059.db2.gz LXEKDZBDSVNINB-LLVKDONJSA-N 0 3 238.335 0.728 20 0 BCADHN CC(C)C[C@@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000122141824 188217033 /nfs/dbraw/zinc/21/70/33/188217033.db2.gz HXXIDCTXVYFHMJ-BDAKNGLRSA-N 0 3 235.349 0.970 20 0 BCADHN CC(C)[C@H](C(=O)N(C)[C@@H]1CCC[C@@H]1O)N(C)C ZINC000341790623 188217827 /nfs/dbraw/zinc/21/78/27/188217827.db2.gz OHVBCYRAOZDEDI-GRYCIOLGSA-N 0 3 242.363 0.944 20 0 BCADHN CC(=O)NCC(=O)N[C@H](C)CN1CCCCC1 ZINC000075836318 188222434 /nfs/dbraw/zinc/22/24/34/188222434.db2.gz VRYWDFYFRJESCW-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cccc2c1NC(=O)CO2 ZINC000639022180 353277214 /nfs/dbraw/zinc/27/72/14/353277214.db2.gz YPHFDEBDOKLXQL-SSDOTTSWSA-N 0 3 249.270 0.693 20 0 BCADHN CC(C)N1CC(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000275196525 188201514 /nfs/dbraw/zinc/20/15/14/188201514.db2.gz GUVNYJFJEPTZGB-UHFFFAOYSA-N 0 3 248.330 0.721 20 0 BCADHN C=Cn1cc(CN2CC[C@](C)(C(N)=O)C2)cn1 ZINC000280162027 188205109 /nfs/dbraw/zinc/20/51/09/188205109.db2.gz FKQQZUYPNQKCOR-LBPRGKRZSA-N 0 3 234.303 0.681 20 0 BCADHN CC(=O)NCCCN[C@@H](C)c1cc(C)n(C)n1 ZINC000282052461 188205854 /nfs/dbraw/zinc/20/58/54/188205854.db2.gz GKOGITILELMNOA-JTQLQIEISA-N 0 3 238.335 0.905 20 0 BCADHN CC(C)N(CC(N)=O)C[C@H](O)C(C)(C)C ZINC000340281230 188209709 /nfs/dbraw/zinc/20/97/09/188209709.db2.gz NZICTTZCIIUWTD-VIFPVBQESA-N 0 3 216.325 0.589 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NC1(C)CCOCC1 ZINC000639013106 353266816 /nfs/dbraw/zinc/26/68/16/353266816.db2.gz GFTSLVUOWGLARZ-VIFPVBQESA-N 0 3 226.320 0.670 20 0 BCADHN CC(=O)NCC(=O)N[C@@H](C)CN1CCCCC1 ZINC000075836315 188222110 /nfs/dbraw/zinc/22/21/10/188222110.db2.gz VRYWDFYFRJESCW-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN COC[C@H](CCO)N[C@@H](C)c1c[nH]nc1C ZINC000134569158 538113360 /nfs/dbraw/zinc/11/33/60/538113360.db2.gz HAMBWKILDUFFAK-WPRPVWTQSA-N 0 3 227.308 0.766 20 0 BCADHN CC1(C)C[C@H](N[C@H]2CCNC2=O)C(C)(C)O1 ZINC000189237188 353282014 /nfs/dbraw/zinc/28/20/14/353282014.db2.gz MKJCWRWTWDFHDF-IUCAKERBSA-N 0 3 226.320 0.811 20 0 BCADHN CCCCOCCN(C)[C@H]1COC[C@@H]1O ZINC000352803079 188232170 /nfs/dbraw/zinc/23/21/70/188232170.db2.gz NSQDEKKKHDEIDX-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN CC(C)[C@H](O)C[N@@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000332420983 188226918 /nfs/dbraw/zinc/22/69/18/188226918.db2.gz SCYDULLXOXATRD-VHSXEESVSA-N 0 3 224.308 0.611 20 0 BCADHN CC(C)[C@H](O)C[N@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000332420983 188226920 /nfs/dbraw/zinc/22/69/20/188226920.db2.gz SCYDULLXOXATRD-VHSXEESVSA-N 0 3 224.308 0.611 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H](O)C1CC1 ZINC000331824342 188227362 /nfs/dbraw/zinc/22/73/62/188227362.db2.gz YRGZTFFJGWRZPW-SNVBAGLBSA-N 0 3 214.309 0.214 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)O ZINC000332436899 188227400 /nfs/dbraw/zinc/22/74/00/188227400.db2.gz CPCYDZRPPKJBBR-UWVGGRQHSA-N 0 3 216.325 0.602 20 0 BCADHN CC(C)N1CCCN(C(=O)C2(C)COC2)CC1 ZINC000336392635 188228739 /nfs/dbraw/zinc/22/87/39/188228739.db2.gz IZFIXBKDIQTCNB-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN N[C@H](C(=O)N1CCn2nccc21)C1CCC1 ZINC000639034715 353307784 /nfs/dbraw/zinc/30/77/84/353307784.db2.gz LKYVMHAFYKUTKF-JTQLQIEISA-N 0 3 220.276 0.357 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCn2nccc21 ZINC000639034581 353307801 /nfs/dbraw/zinc/30/78/01/353307801.db2.gz KCRZBJDLYZQUCD-NSHDSACASA-N 0 3 222.292 0.747 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2CSCN2)CCN1C ZINC000252214151 353299349 /nfs/dbraw/zinc/29/93/49/353299349.db2.gz YUYPTIUYMZBORP-OPRDCNLKSA-N 0 3 243.376 0.248 20 0 BCADHN CC[C@H](N)C(=O)NCc1noc2c1CCCC2 ZINC000639032903 353303985 /nfs/dbraw/zinc/30/39/85/353303985.db2.gz BGYWZLJDXYZDBE-VIFPVBQESA-N 0 3 237.303 0.907 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@@H](C)NC(C)=O ZINC000074197214 353304884 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BCADHN C[C@H](O)CN(C[C@@H]1CCCCO1)[C@@H](C)CO ZINC000190862604 353415670 /nfs/dbraw/zinc/41/56/70/353415670.db2.gz IUZZCWBRDTYCRE-SRVKXCTJSA-N 0 3 231.336 0.619 20 0 BCADHN C[C@@H](CNC(=O)CSC1CC1)N(C)C ZINC000412396416 191280165 /nfs/dbraw/zinc/28/01/65/191280165.db2.gz WAHWSAJOYPUPCV-QMMMGPOBSA-N 0 3 216.350 0.948 20 0 BCADHN Cc1cc(=O)[nH]c(C(=O)NC[C@H](C)N(C)C)c1 ZINC000412395496 191280307 /nfs/dbraw/zinc/28/03/07/191280307.db2.gz RQDVFWBEHHIPDL-VIFPVBQESA-N 0 3 237.303 0.776 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](C)CCO ZINC000134018496 353451115 /nfs/dbraw/zinc/45/11/15/353451115.db2.gz BZQZWFGVHQDJPD-SECBINFHSA-N 0 3 202.298 0.214 20 0 BCADHN CN1CCN(CCO)CC12CCCCC2 ZINC000577861709 366088261 /nfs/dbraw/zinc/08/82/61/366088261.db2.gz KLWHFDPAITWBOH-UHFFFAOYSA-N 0 3 212.337 0.929 20 0 BCADHN CCc1nnc(CN[C@H]2CCOC[C@H]2C)[nH]1 ZINC000336776944 353482988 /nfs/dbraw/zinc/48/29/88/353482988.db2.gz GYTPPTWSONXZJN-BDAKNGLRSA-N 0 3 224.308 0.882 20 0 BCADHN CCc1nnc(C[NH2+][C@H]2CCOC[C@H]2C)[n-]1 ZINC000336776944 353482991 /nfs/dbraw/zinc/48/29/91/353482991.db2.gz GYTPPTWSONXZJN-BDAKNGLRSA-N 0 3 224.308 0.882 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)NCC3CC3)C[C@@H]21 ZINC000334510887 353485550 /nfs/dbraw/zinc/48/55/50/353485550.db2.gz OXVILLNHYPORNQ-MNOVXSKESA-N 0 3 223.320 0.742 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCCS1)N(C)C ZINC000412389367 191281622 /nfs/dbraw/zinc/28/16/22/191281622.db2.gz YZWMQFBNHTXTMN-DTWKUNHWSA-N 0 3 216.350 0.948 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCCCO1)N(C)C ZINC000412388956 191282403 /nfs/dbraw/zinc/28/24/03/191282403.db2.gz UQQOICSGJLNDCK-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN Nc1ncc(CN2CC[C@@H]3CCC[C@H]32)c(N)n1 ZINC000639096847 353495306 /nfs/dbraw/zinc/49/53/06/353495306.db2.gz YUHBVQJPHWHLNB-WCBMZHEXSA-N 0 3 233.319 0.676 20 0 BCADHN Nc1ncc(CN2CC[C@@H]3CCC[C@@H]32)c(N)n1 ZINC000639096848 353495323 /nfs/dbraw/zinc/49/53/23/353495323.db2.gz YUHBVQJPHWHLNB-WPRPVWTQSA-N 0 3 233.319 0.676 20 0 BCADHN CO[C@](C)(CN1C[C@@H](C)O[C@H](CO)C1)C1CC1 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/nfs/dbraw/zinc/51/08/42/353510842.db2.gz RSZNARNRAJOSOC-ZJUUUORDSA-N 0 3 243.303 0.681 20 0 BCADHN C[C@H]1OCCN(C(=O)CNC2CC2)[C@H]1C ZINC000157530306 353514824 /nfs/dbraw/zinc/51/48/24/353514824.db2.gz ITLBRWJRFSGXPW-DTWKUNHWSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@@H](Cc1cnccn1)NC[C@@H](O)C(F)(F)F ZINC000639100487 353517852 /nfs/dbraw/zinc/51/78/52/353517852.db2.gz WVWHZYJQGJHNSN-IONNQARKSA-N 0 3 249.236 0.920 20 0 BCADHN CCCC[C@@H](N)C(=O)N(CC)CC(=O)NCC ZINC000037895318 358478822 /nfs/dbraw/zinc/47/88/22/358478822.db2.gz ZYGJDBLFRBATKH-SNVBAGLBSA-N 0 3 243.351 0.489 20 0 BCADHN CCN(CCC[C@@H]1CCO1)CC(N)=O ZINC000639097269 353496544 /nfs/dbraw/zinc/49/65/44/353496544.db2.gz KDCPUOFOJMMJSL-SECBINFHSA-N 0 3 200.282 0.363 20 0 BCADHN OCCOCCCNCc1cncs1 ZINC000134668176 353503640 /nfs/dbraw/zinc/50/36/40/353503640.db2.gz CEVYEXPSUYKWHR-UHFFFAOYSA-N 0 3 216.306 0.632 20 0 BCADHN CC(C)OC(=O)CCN[C@@H]1C(=O)NCC[C@@H]1C ZINC000193595669 353603085 /nfs/dbraw/zinc/60/30/85/353603085.db2.gz 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NKHQNHBVASHNMK-SECBINFHSA-N 0 3 224.304 0.914 20 0 BCADHN C[C@H]1C[C@@H](N(C)Cc2nnn(C)n2)CCN1C ZINC000194438235 353660559 /nfs/dbraw/zinc/66/05/59/353660559.db2.gz OQORZCWHSUTFCV-UWVGGRQHSA-N 0 3 238.339 0.125 20 0 BCADHN CNC(=O)[C@@H](N[C@H](C)[C@H]1CCCO1)C(C)C ZINC000639112991 353709516 /nfs/dbraw/zinc/70/95/16/353709516.db2.gz WBRSLLMCBCZUBU-MXWKQRLJSA-N 0 3 228.336 0.914 20 0 BCADHN C[C@@]1(O)CCN(CCOC[C@@H]2CCCO2)C1 ZINC000577920036 366101331 /nfs/dbraw/zinc/10/13/31/366101331.db2.gz JWAZVQBJXYNGCS-NWDGAFQWSA-N 0 3 229.320 0.639 20 0 BCADHN COCCCNC(=O)NC[C@H]1CCCN1C ZINC000195120653 353726184 /nfs/dbraw/zinc/72/61/84/353726184.db2.gz YDDSBLAVIDRIFS-SNVBAGLBSA-N 0 3 229.324 0.416 20 0 BCADHN CCCN(C)CC(=O)N1CCN[C@@H](C)C1 ZINC000261545240 535246475 /nfs/dbraw/zinc/24/64/75/535246475.db2.gz JRYKRNYLEPHZAB-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN Nc1ncc(CNC[C@H]2CCSC2)c(N)n1 ZINC000639117761 353747191 /nfs/dbraw/zinc/74/71/91/353747191.db2.gz GZJPBWMFOXGFSL-SSDOTTSWSA-N 0 3 239.348 0.144 20 0 BCADHN COC[C@@H](CO)N[C@@H](C)Cc1cnccn1 ZINC000639125444 353817768 /nfs/dbraw/zinc/81/77/68/353817768.db2.gz VNDVPBCVVVTPOL-GXSJLCMTSA-N 0 3 225.292 0.005 20 0 BCADHN COC[C@H](CO)N[C@@H](C)[C@@H]1CC1(F)F ZINC000639125685 353822293 /nfs/dbraw/zinc/82/22/93/353822293.db2.gz ZMJIXWZLHABNRJ-FXQIFTODSA-N 0 3 209.236 0.627 20 0 BCADHN OC[C@H](CNCc1ccns1)[C@H]1CCOC1 ZINC000639129162 353834044 /nfs/dbraw/zinc/83/40/44/353834044.db2.gz QNZBCOHBXNFSLR-UWVGGRQHSA-N 0 3 242.344 0.878 20 0 BCADHN OC[C@H](CNCc1ccns1)[C@@H]1CCOC1 ZINC000639129164 353834109 /nfs/dbraw/zinc/83/41/09/353834109.db2.gz QNZBCOHBXNFSLR-ZJUUUORDSA-N 0 3 242.344 0.878 20 0 BCADHN Fc1cncc(CNCCn2cncn2)c1 ZINC000309554741 181019856 /nfs/dbraw/zinc/01/98/56/181019856.db2.gz HERFTUPBOXFDTQ-UHFFFAOYSA-N 0 3 221.239 0.602 20 0 BCADHN COC[C@H](C)N[C@@H]1CCO[C@H]1c1nccn1C ZINC000343395259 353877105 /nfs/dbraw/zinc/87/71/05/353877105.db2.gz HHQVSWQDNULXPO-HBNTYKKESA-N 0 3 239.319 0.875 20 0 BCADHN CCCC(C)(C)NC(=O)[C@@H](N)CCC(=O)OC ZINC000343423670 353881638 /nfs/dbraw/zinc/88/16/38/353881638.db2.gz WYOIVKVPZNMYKS-VIFPVBQESA-N 0 3 244.335 0.962 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)[C@H](N)CCC(=O)OC ZINC000343425287 353882293 /nfs/dbraw/zinc/88/22/93/353882293.db2.gz YNRCNTVENDBKNH-LPEHRKFASA-N 0 3 244.335 0.818 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N1CCCC1(C)C ZINC000343424866 353882479 /nfs/dbraw/zinc/88/24/79/353882479.db2.gz YAEPYNZXDZIGTI-SECBINFHSA-N 0 3 242.319 0.668 20 0 BCADHN COCCOCC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343429711 353882751 /nfs/dbraw/zinc/88/27/51/353882751.db2.gz FOLNXOQUUMUXGK-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@H]2CCCO2)CCCN1C ZINC000343429179 353882972 /nfs/dbraw/zinc/88/29/72/353882972.db2.gz HTOFORYLIQCLMB-MXWKQRLJSA-N 0 3 226.320 0.764 20 0 BCADHN CN(CCN1CCCC1)C(=O)Cn1cccn1 ZINC000343430292 353883224 /nfs/dbraw/zinc/88/32/24/353883224.db2.gz BDDMBSHBSXULCN-UHFFFAOYSA-N 0 3 236.319 0.437 20 0 BCADHN CCOCCC(=O)N(C)CCN1CCCC1 ZINC000343434697 353885104 /nfs/dbraw/zinc/88/51/04/353885104.db2.gz WIAXDJHIMGNFIW-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN C[C@H]1[C@@H](NC(=O)C2(C)COC2)CCCN1C ZINC000343445540 353890583 /nfs/dbraw/zinc/89/05/83/353890583.db2.gz NXEUHFZCECEIMK-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N1CCCCCC1 ZINC000343452764 353893544 /nfs/dbraw/zinc/89/35/44/353893544.db2.gz CZZKMYZKYMMLKO-SNVBAGLBSA-N 0 3 242.319 0.670 20 0 BCADHN CC[C@](C)(CN[C@H]1C(=O)NCC[C@H]1C)OC ZINC000639137360 353844067 /nfs/dbraw/zinc/84/40/67/353844067.db2.gz XLASEZLOOPZBQG-CKYFFXLPSA-N 0 3 228.336 0.916 20 0 BCADHN CCC[C@H](CN(C)CCOCCO)OC ZINC000639140242 353848672 /nfs/dbraw/zinc/84/86/72/353848672.db2.gz TYZSIUVZMSZDTG-LLVKDONJSA-N 0 3 219.325 0.742 20 0 BCADHN CO[C@]1(CN2CC[C@@](F)(CO)C2)CCOC1 ZINC000639145694 353851795 /nfs/dbraw/zinc/85/17/95/353851795.db2.gz VSPHPHCZTINLBG-QWRGUYRKSA-N 0 3 233.283 0.198 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NC[C@@H](C)C(C)C ZINC000343490947 353907864 /nfs/dbraw/zinc/90/78/64/353907864.db2.gz JKNANNYPUKAPHA-NXEZZACHSA-N 0 3 244.335 0.675 20 0 BCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343489294 353908279 /nfs/dbraw/zinc/90/82/79/353908279.db2.gz IYPOWXRXXGDSGH-MWLCHTKSSA-N 0 3 241.335 0.064 20 0 BCADHN CCCN1CCC[C@H]1CNC(=O)C(C)(C)O ZINC000343632043 353948690 /nfs/dbraw/zinc/94/86/90/353948690.db2.gz CJNZRUYPYZEFAU-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@@H](OC)C(=O)N(C)CCN1CCCC1 ZINC000343493725 353910866 /nfs/dbraw/zinc/91/08/66/353910866.db2.gz ODIYFTDWJVYZGC-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CCC(N)=O ZINC000343535335 353916036 /nfs/dbraw/zinc/91/60/36/353916036.db2.gz RPSCUNLQURYOBU-AOOOYVTPSA-N 0 3 241.335 0.193 20 0 BCADHN CCC(CC)NC(=O)[C@@H](N)CCC(=O)OC ZINC000343505116 353920691 /nfs/dbraw/zinc/92/06/91/353920691.db2.gz NFROIPLIAGAEDB-VIFPVBQESA-N 0 3 230.308 0.572 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@@H](O)[C@H]1C ZINC000334535865 353921845 /nfs/dbraw/zinc/92/18/45/353921845.db2.gz LSVWUDOVSMCBMP-GHMZBOCLSA-N 0 3 228.336 0.698 20 0 BCADHN CO[C@H]1CCN([C@@H]2CCN(C)C2=O)CC1(C)C ZINC000334536353 353922572 /nfs/dbraw/zinc/92/25/72/353922572.db2.gz SATJWZOFHZUIIJ-MNOVXSKESA-N 0 3 240.347 0.964 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NC1(C)CCCC1 ZINC000343533294 353929489 /nfs/dbraw/zinc/92/94/89/353929489.db2.gz WRNJULOAHZCVMB-SECBINFHSA-N 0 3 242.319 0.716 20 0 BCADHN COC(=O)C[C@@H](C)C(=O)NCCN1CCCC1 ZINC000343606666 353932194 /nfs/dbraw/zinc/93/21/94/353932194.db2.gz DEUAUPCRAIHNRM-SNVBAGLBSA-N 0 3 242.319 0.398 20 0 BCADHN COCCN(C(=O)CN(C)C(C)C)C1CC1 ZINC000343567098 353936008 /nfs/dbraw/zinc/93/60/08/353936008.db2.gz VXBKAANWZCOOPF-UHFFFAOYSA-N 0 3 228.336 0.964 20 0 BCADHN CCN1C[C@H](NCc2nncn2CC)[C@@H](C)C1 ZINC000343570868 353937484 /nfs/dbraw/zinc/93/74/84/353937484.db2.gz AVRJJDDWGBGJKE-QWRGUYRKSA-N 0 3 237.351 0.728 20 0 BCADHN CCCN1CCC[C@H]1CNC(=O)[C@H](O)C(C)C ZINC000343572780 353937693 /nfs/dbraw/zinc/93/76/93/353937693.db2.gz PMQIEDYZISSTII-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN CCN1C[C@@H](C)[C@@H](NCc2nncn2CC)C1 ZINC000343570867 353937746 /nfs/dbraw/zinc/93/77/46/353937746.db2.gz AVRJJDDWGBGJKE-MNOVXSKESA-N 0 3 237.351 0.728 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@H]2CCOC2)CCCN1C ZINC000343579888 353939221 /nfs/dbraw/zinc/93/92/21/353939221.db2.gz YFLGLHZVTSJYEP-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN O=C1CC[C@H]2CN(CCCn3ccnc3)CCN12 ZINC000343584282 353939681 /nfs/dbraw/zinc/93/96/81/353939681.db2.gz NQHCYHGAEFSFRQ-LBPRGKRZSA-N 0 3 248.330 0.580 20 0 BCADHN C[C@H]1CSC[C@@H]1NCc1cnc(N)nc1N ZINC000639162040 353948267 /nfs/dbraw/zinc/94/82/67/353948267.db2.gz OUQIZZSRBYHRLS-XPUUQOCRSA-N 0 3 239.348 0.143 20 0 BCADHN CCN(CC)CC(=O)NCc1ccn(CC)n1 ZINC000412489817 191289807 /nfs/dbraw/zinc/28/98/07/191289807.db2.gz SVPWNXNLXKMGJN-UHFFFAOYSA-N 0 3 238.335 0.861 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000334528231 353903094 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CO[C@H]1CCN(C(=O)NC2CCN(C)CC2)C1 ZINC000335841035 355585103 /nfs/dbraw/zinc/58/51/03/355585103.db2.gz HYFZOEKLCKVTNB-NSHDSACASA-N 0 3 241.335 0.511 20 0 BCADHN N=C(NO)[C@@H]1CCCCN1Cc1c[nH]cn1 ZINC000366446958 181200296 /nfs/dbraw/zinc/20/02/96/181200296.db2.gz BPDIJSADOUGHMH-VIFPVBQESA-N 0 3 223.280 0.720 20 0 BCADHN N=C(NO)[C@H]1CCCCN1Cc1c[nH]cn1 ZINC000366446954 181200367 /nfs/dbraw/zinc/20/03/67/181200367.db2.gz BPDIJSADOUGHMH-SECBINFHSA-N 0 3 223.280 0.720 20 0 BCADHN CC[C@@](C)(CN1CC(N2CC[C@@H](O)C2)C1)OC ZINC000639296547 355594620 /nfs/dbraw/zinc/59/46/20/355594620.db2.gz WEJBBPOEJXLSHZ-OLZOCXBDSA-N 0 3 242.363 0.552 20 0 BCADHN CCO[C@H]1C[C@@H]1C(=O)N1CCN2CCC1CC2 ZINC000335851815 355595707 /nfs/dbraw/zinc/59/57/07/355595707.db2.gz GVWIYNICULYTBA-RYUDHWBXSA-N 0 3 238.331 0.718 20 0 BCADHN CC(C)O[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000583562430 355612438 /nfs/dbraw/zinc/61/24/38/355612438.db2.gz TVBKTPDUJGZRCL-CYBMUJFWSA-N 0 3 242.363 0.818 20 0 BCADHN NC(=O)CCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331748353 181201356 /nfs/dbraw/zinc/20/13/56/181201356.db2.gz FELIZFPMVDDWJG-QMMMGPOBSA-N 0 3 240.307 0.448 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)C2=CCOCC2)C1 ZINC000335836671 355565029 /nfs/dbraw/zinc/56/50/29/355565029.db2.gz LRWDYBJNVCXYDQ-LBPRGKRZSA-N 0 3 238.331 0.886 20 0 BCADHN C[C@H](O)CCN1CCC[C@H](N2CCCC2=O)C1 ZINC000584347156 355571633 /nfs/dbraw/zinc/57/16/33/355571633.db2.gz HFEAOIJHIFMIAU-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN CCc1cc(C(=O)NCC2(N(C)C)CC2)[nH]n1 ZINC000416297852 191732127 /nfs/dbraw/zinc/73/21/27/191732127.db2.gz AZGJDPAOJDPUOL-UHFFFAOYSA-N 0 3 236.319 0.796 20 0 BCADHN CN(CCCN1CCCC1)S(=O)(=O)C1CC1 ZINC000350222079 355650818 /nfs/dbraw/zinc/65/08/18/355650818.db2.gz JPJIPMDDZXHBGV-UHFFFAOYSA-N 0 3 246.376 0.896 20 0 BCADHN O[C@H]1CCC[C@@H]1NCc1cnn2c1CCC2 ZINC000631251523 355654324 /nfs/dbraw/zinc/65/43/24/355654324.db2.gz XQEVUIWKMMSVCY-JQWIXIFHSA-N 0 3 221.304 0.832 20 0 BCADHN CC(C)[C@@H](CO)CNC(=O)CN1CC[C@@H](C)C1 ZINC000583574424 355656672 /nfs/dbraw/zinc/65/66/72/355656672.db2.gz YJKINDIDGVDFHJ-VXGBXAGGSA-N 0 3 242.363 0.709 20 0 BCADHN Cc1cnc(CN(C)CC2CN(C)C2)o1 ZINC000639308560 355663945 /nfs/dbraw/zinc/66/39/45/355663945.db2.gz CSXPRRMHNKJMDH-UHFFFAOYSA-N 0 3 209.293 0.976 20 0 BCADHN NC(=O)C[C@H]1CCCN(C(=O)[C@H]2C[C@H]2N)C1 ZINC000331370789 181203126 /nfs/dbraw/zinc/20/31/26/181203126.db2.gz GGFCGCOTRWJZHK-HRDYMLBCSA-N 0 3 225.292 0.498 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000389081755 355619298 /nfs/dbraw/zinc/61/92/98/355619298.db2.gz YVTYOBSCBYLPIB-KXUCPTDWSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@H](O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000335861269 355623843 /nfs/dbraw/zinc/62/38/43/355623843.db2.gz YMKOJLZNCVZQGL-WDEREUQCSA-N 0 3 226.320 0.454 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)C2(O)CCC2)C1 ZINC000335868669 355634457 /nfs/dbraw/zinc/63/44/57/355634457.db2.gz KQCIZWCSIXWZPC-JTQLQIEISA-N 0 3 226.320 0.454 20 0 BCADHN O=C1NCC[C@@H]1CCN1CC[C@H](OC(F)F)C1 ZINC000582189154 355692541 /nfs/dbraw/zinc/69/25/41/355692541.db2.gz HPVPNJFPHFBMLS-BDAKNGLRSA-N 0 3 248.273 0.826 20 0 BCADHN CN1CCN(CCC[C@H]2CCO2)CCC1=O ZINC000639321060 355721937 /nfs/dbraw/zinc/72/19/37/355721937.db2.gz MCZKXLPVBLZIBK-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN CO[C@]1(CN(C)C[C@H]2COCCO2)CCOC1 ZINC000639314120 355701804 /nfs/dbraw/zinc/70/18/04/355701804.db2.gz GINVVOOJDTWBNI-RYUDHWBXSA-N 0 3 245.319 0.139 20 0 BCADHN COC[C@@H](O)CN1CCC[C@H]2COC[C@H]21 ZINC000367106328 355704952 /nfs/dbraw/zinc/70/49/52/355704952.db2.gz ITQPXOOBCDMHKT-GARJFASQSA-N 0 3 215.293 0.105 20 0 BCADHN Cc1cn[nH]c1CN[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000336007970 134049982 /nfs/dbraw/zinc/04/99/82/134049982.db2.gz KPMNZRXGLXFJCJ-JQWIXIFHSA-N 0 3 248.330 0.961 20 0 BCADHN NC(=O)[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1N ZINC000331376310 181205677 /nfs/dbraw/zinc/20/56/77/181205677.db2.gz HYRHQPXCRQRLHH-XLPZGREQSA-N 0 3 211.265 0.250 20 0 BCADHN CO[C@@H](C(=O)NCCOCCN(C)C)C1CC1 ZINC000350784398 355758123 /nfs/dbraw/zinc/75/81/23/355758123.db2.gz SFFSMZCHYRQSES-LLVKDONJSA-N 0 3 244.335 0.106 20 0 BCADHN CN(Cc1ccc(=O)[nH]c1)C1(CO)CC1 ZINC000639333219 355762559 /nfs/dbraw/zinc/76/25/59/355762559.db2.gz VESOBBOXSIIIMQ-UHFFFAOYSA-N 0 3 208.261 0.744 20 0 BCADHN CO[C@H](CC(C)C)CN1CCN(C)C[C@@H]1CO ZINC000639334036 355764296 /nfs/dbraw/zinc/76/42/96/355764296.db2.gz ORUSVDISHJMSEI-CHWSQXEVSA-N 0 3 244.379 0.656 20 0 BCADHN CN1CCN(C[C@@H]2CC=CCC2)[C@H](CO)C1 ZINC000639336021 355768687 /nfs/dbraw/zinc/76/86/87/355768687.db2.gz CWIDEDDVHZZXRN-OLZOCXBDSA-N 0 3 224.348 0.951 20 0 BCADHN CN1CCN(C[C@H]2CC=CCC2)[C@H](CO)C1 ZINC000639336023 355769102 /nfs/dbraw/zinc/76/91/02/355769102.db2.gz CWIDEDDVHZZXRN-STQMWFEESA-N 0 3 224.348 0.951 20 0 BCADHN CO[C@@H](CN[C@H]1CCNC1=O)CC(C)C ZINC000639338019 355777602 /nfs/dbraw/zinc/77/76/02/355777602.db2.gz QZRYFZKDYATAEP-ZJUUUORDSA-N 0 3 214.309 0.526 20 0 BCADHN CC[C@@H](C)[C@H](CNCc1cn[nH]n1)OC ZINC000639339690 355780877 /nfs/dbraw/zinc/78/08/77/355780877.db2.gz ANUTXJOPCICBAU-SCZZXKLOSA-N 0 3 212.297 0.955 20 0 BCADHN CC[C@@H](C)[C@H](CNCc1c[nH]nn1)OC ZINC000639339690 355780879 /nfs/dbraw/zinc/78/08/79/355780879.db2.gz ANUTXJOPCICBAU-SCZZXKLOSA-N 0 3 212.297 0.955 20 0 BCADHN CC[C@](C)(CN(C)[C@@]1(CO)CCOC1)OC ZINC000639342270 355784438 /nfs/dbraw/zinc/78/44/38/355784438.db2.gz UCBZYLSLLJBCDK-VXGBXAGGSA-N 0 3 231.336 0.885 20 0 BCADHN c1n[nH]nc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000639342341 355785035 /nfs/dbraw/zinc/78/50/35/355785035.db2.gz VEXLWIBUKFFERR-AXFHLTTASA-N 0 3 234.303 0.852 20 0 BCADHN CC[C@@H](C)[C@@H](CN(CCO)CCO)OC ZINC000639343851 355786570 /nfs/dbraw/zinc/78/65/70/355786570.db2.gz NIXGWRXBQQBTPL-GHMZBOCLSA-N 0 3 219.325 0.334 20 0 BCADHN C[C@@H]([C@H]1CC1(F)F)N(CCO)CCO ZINC000639343905 355787203 /nfs/dbraw/zinc/78/72/03/355787203.db2.gz OWXYIWNARARSIO-JGVFFNPUSA-N 0 3 209.236 0.317 20 0 BCADHN C[C@H]([C@@H]1CCCCO1)N(CCO)CCO ZINC000639343923 355787380 /nfs/dbraw/zinc/78/73/80/355787380.db2.gz PHLGRNTYICIIBU-MNOVXSKESA-N 0 3 217.309 0.231 20 0 BCADHN CCC[C@@H](CN(CCO)CCO)OC ZINC000639344337 355787508 /nfs/dbraw/zinc/78/75/08/355787508.db2.gz UHVMBPINMZHGMT-JTQLQIEISA-N 0 3 205.298 0.088 20 0 BCADHN C[C@@H](N[C@@H]1CCS(=O)(=O)[C@@H]1C)[C@H]1CCCO1 ZINC000639351344 355798202 /nfs/dbraw/zinc/79/82/02/355798202.db2.gz BOFONCGYIWZTMD-GWOFURMSSA-N 0 3 247.360 0.719 20 0 BCADHN Cc1cc(CNCCN2CC[C@@H](O)C2)sn1 ZINC000639355124 355808788 /nfs/dbraw/zinc/80/87/88/355808788.db2.gz PHKAPUNQXVAYQX-SNVBAGLBSA-N 0 3 241.360 0.608 20 0 BCADHN c1nc(CNCC2COC2)cc2c1OCCO2 ZINC000639355615 355809911 /nfs/dbraw/zinc/80/99/11/355809911.db2.gz WNBIHKQKCPMGDZ-UHFFFAOYSA-N 0 3 236.271 0.589 20 0 BCADHN CC(C)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000336023830 134054955 /nfs/dbraw/zinc/05/49/55/134054955.db2.gz BNYQGCAUQQNCCU-NSHDSACASA-N 0 3 248.392 0.998 20 0 BCADHN CN(C)C(=O)CN1CCN(CCC2CC2)CC1 ZINC000608491963 355814911 /nfs/dbraw/zinc/81/49/11/355814911.db2.gz BWPROURXYUGSRP-UHFFFAOYSA-N 0 3 239.363 0.492 20 0 BCADHN CC(C)OC1CC(N(CCO)CCO)C1 ZINC000628369843 355878439 /nfs/dbraw/zinc/87/84/39/355878439.db2.gz FPMNLKVMWBPZGT-UHFFFAOYSA-N 0 3 217.309 0.229 20 0 BCADHN COC[C@@](C)(O)CNCc1cncs1 ZINC000389196574 355838137 /nfs/dbraw/zinc/83/81/37/355838137.db2.gz AXQNDMJTTWVPGA-VIFPVBQESA-N 0 3 216.306 0.630 20 0 BCADHN NC(=O)C1(NCC[C@H]2CCCCO2)CC1 ZINC000336743158 181213696 /nfs/dbraw/zinc/21/36/96/181213696.db2.gz XSZJSUSKANLHQH-SECBINFHSA-N 0 3 212.293 0.553 20 0 BCADHN NC(=O)C1(NCCCO[C@H]2CCCCO2)CC1 ZINC000338288617 181214121 /nfs/dbraw/zinc/21/41/21/181214121.db2.gz LWBVEVGQSWYYNT-JTQLQIEISA-N 0 3 242.319 0.527 20 0 BCADHN CN1CCCN(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000336026956 134057240 /nfs/dbraw/zinc/05/72/40/134057240.db2.gz HQRHPHNOGVRMQN-LLVKDONJSA-N 0 3 241.335 0.513 20 0 BCADHN CN(Cc1ccc(O)cc1)[C@]1(CO)CCOC1 ZINC000628367810 355862772 /nfs/dbraw/zinc/86/27/72/355862772.db2.gz UEKQRKMUZMVAEE-ZDUSSCGKSA-N 0 3 237.299 0.975 20 0 BCADHN CN(CC1=CCCOC1)[C@@H]1CCC(=O)N(C)C1 ZINC000628368599 355864297 /nfs/dbraw/zinc/86/42/97/355864297.db2.gz OOIICMFGWYCRSV-GFCCVEGCSA-N 0 3 238.331 0.886 20 0 BCADHN Cc1cn[nH]c1CN(C)[C@H]1CCC(=O)N(C)C1 ZINC000628368895 355865454 /nfs/dbraw/zinc/86/54/54/355865454.db2.gz FIGFZUAGTYHQCA-JTQLQIEISA-N 0 3 236.319 0.771 20 0 BCADHN C[C@@H](CNC(=O)c1cnn2ccncc12)N(C)C ZINC000350892066 355866214 /nfs/dbraw/zinc/86/62/14/355866214.db2.gz GDEXNNLKTXMNCN-VIFPVBQESA-N 0 3 247.302 0.409 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C1CC1 ZINC000336035050 134059403 /nfs/dbraw/zinc/05/94/03/134059403.db2.gz NKMTZCOTTSGFLN-KWQFWETISA-N 0 3 208.305 0.995 20 0 BCADHN C[C@@H](C[S@](C)=O)N(C)C(=O)[C@H](C)NC1CC1 ZINC000399038141 355831151 /nfs/dbraw/zinc/83/11/51/355831151.db2.gz SRECWSFVWBANCK-BEPCFFQHSA-N 0 3 246.376 0.352 20 0 BCADHN CO[C@H](C(=O)N(C)CCN(C)C)C(C)C ZINC000354000754 355832349 /nfs/dbraw/zinc/83/23/49/355832349.db2.gz JMXOIILTTCNBAS-JTQLQIEISA-N 0 3 216.325 0.677 20 0 BCADHN COC1(C)CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000583639667 355940771 /nfs/dbraw/zinc/94/07/71/355940771.db2.gz OAPGVQRNGFHWRW-JTQLQIEISA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H](O)CCN1CCN(c2ncc[nH]2)CC1 ZINC000520423481 355920581 /nfs/dbraw/zinc/92/05/81/355920581.db2.gz AORRKILSTSQAJZ-SNVBAGLBSA-N 0 3 224.308 0.303 20 0 BCADHN CCOC[C@H](C)NC[C@H](C)S(C)(=O)=O ZINC000389240648 355934681 /nfs/dbraw/zinc/93/46/81/355934681.db2.gz YERIYXNPNWWYHF-IUCAKERBSA-N 0 3 223.338 0.434 20 0 BCADHN CO[C@@H](C)[C@@H](C)N[C@H](C)CS(C)(=O)=O ZINC000389262919 355935596 /nfs/dbraw/zinc/93/55/96/355935596.db2.gz IJIRSWKNXFJHNC-HLTSFMKQSA-N 0 3 223.338 0.433 20 0 BCADHN CCN1CCC(NC(=O)CC(F)(F)CN)CC1 ZINC000583638248 355939777 /nfs/dbraw/zinc/93/97/77/355939777.db2.gz YNFHIEOTNZUBKW-UHFFFAOYSA-N 0 3 249.305 0.571 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@H](n2cccn2)C1 ZINC000167222384 355978876 /nfs/dbraw/zinc/97/88/76/355978876.db2.gz UXOYMAPWHSIUOD-UWVGGRQHSA-N 0 3 222.292 0.394 20 0 BCADHN COC[C@H](C)CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000167432512 355993418 /nfs/dbraw/zinc/99/34/18/355993418.db2.gz CKRARUOAFPNXEK-AXFHLTTASA-N 0 3 228.336 0.773 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N1CCC[C@@H](CO)C1 ZINC000216499431 355996554 /nfs/dbraw/zinc/99/65/54/355996554.db2.gz YSGOJJQKNUNVLW-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](CO)N(CC(N)=O)C1CCCC1 ZINC000351494434 356001662 /nfs/dbraw/zinc/00/16/62/356001662.db2.gz NONRJBKHTHJDSN-QMMMGPOBSA-N 0 3 200.282 0.097 20 0 BCADHN C[C@H]1CCN(CC(=O)NCc2cncn2C)C1 ZINC000583640403 355946224 /nfs/dbraw/zinc/94/62/24/355946224.db2.gz JUHAQBUAOIMUNJ-JTQLQIEISA-N 0 3 236.319 0.378 20 0 BCADHN CC[C@H](COC)NC(=O)N1CCCN(C)CC1 ZINC000351222484 355963024 /nfs/dbraw/zinc/96/30/24/355963024.db2.gz ZEMNRRPXHINKRD-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN C[C@H](CN[C@@H]1CCCOC1)S(C)(=O)=O ZINC000389326634 355966169 /nfs/dbraw/zinc/96/61/69/355966169.db2.gz TVUNWOZVGVKAFC-RKDXNWHRSA-N 0 3 221.322 0.188 20 0 BCADHN c1cc(CCN2CCc3n[nH]nc3C2)ccn1 ZINC000351617268 356031002 /nfs/dbraw/zinc/03/10/02/356031002.db2.gz BRQUYLGQMPRYKZ-UHFFFAOYSA-N 0 3 229.287 0.801 20 0 BCADHN C[C@H]1CC[C@H](N(CCO)CC(=O)N(C)C)C1 ZINC000351644946 356041998 /nfs/dbraw/zinc/04/19/98/356041998.db2.gz BLHBIGHYSMXWDT-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN NC(=O)CN[C@@H]1CCc2ccccc2OC1 ZINC000367217500 181236750 /nfs/dbraw/zinc/23/67/50/181236750.db2.gz AJCBLASXQYBPCB-SNVBAGLBSA-N 0 3 220.272 0.455 20 0 BCADHN NC(=O)CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000337377130 181237166 /nfs/dbraw/zinc/23/71/66/181237166.db2.gz BSKVXLUXEPVUHF-RNFRBKRXSA-N 0 3 222.235 0.612 20 0 BCADHN NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000309563433 181237303 /nfs/dbraw/zinc/23/73/03/181237303.db2.gz KAWKYNWKBRNOEG-JMJZKYOTSA-N 0 3 224.304 0.409 20 0 BCADHN CC(C)[C@@H](C)NC(=O)CN1CCCN(C)CC1 ZINC000351672742 356051998 /nfs/dbraw/zinc/05/19/98/356051998.db2.gz OCWFFZYSVDVMQQ-GFCCVEGCSA-N 0 3 241.379 0.785 20 0 BCADHN CC[C@H](COC)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000167451006 356009430 /nfs/dbraw/zinc/00/94/30/356009430.db2.gz HTKZHNWRTWEAEV-MXWKQRLJSA-N 0 3 228.336 0.916 20 0 BCADHN NC(=O)CN1CCC2(Cc3ccccc3C2)C1 ZINC000378301777 181231361 /nfs/dbraw/zinc/23/13/61/181231361.db2.gz PISPOJLYCCATSG-UHFFFAOYSA-N 0 3 230.311 0.963 20 0 BCADHN C[C@H]1[C@H](C)N(Cc2cnn(C)c2)CCN1C ZINC000335912000 356127978 /nfs/dbraw/zinc/12/79/78/356127978.db2.gz ANYHXBROJIPQID-QWRGUYRKSA-N 0 3 222.336 0.945 20 0 BCADHN CCN(C(=O)[C@@H](O)C(C)C)[C@H]1CCN(C)C1 ZINC000617551232 356107174 /nfs/dbraw/zinc/10/71/74/356107174.db2.gz NSCGCKYHSODLBO-QWRGUYRKSA-N 0 3 228.336 0.556 20 0 BCADHN CCN(C(=O)[C@@H]1CO[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000617552130 356108459 /nfs/dbraw/zinc/10/84/59/356108459.db2.gz HNSONUFXUDAKBK-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(C(=O)c1cc(C)ncn1)[C@H]1CCN(C)C1 ZINC000617553921 356110490 /nfs/dbraw/zinc/11/04/90/356110490.db2.gz TZXGUGMPBDLWQA-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CCN(C(=O)c1cccc(=O)[nH]1)[C@H]1CCN(C)C1 ZINC000617554463 356110909 /nfs/dbraw/zinc/11/09/09/356110909.db2.gz CLSZZACYJSRACN-JTQLQIEISA-N 0 3 249.314 0.953 20 0 BCADHN CCN(C(=O)[C@H](C)N(C)C)[C@@H]1CCN(C)C1 ZINC000617553551 356110933 /nfs/dbraw/zinc/11/09/33/356110933.db2.gz KLRJHCCBJYORRN-WDEREUQCSA-N 0 3 227.352 0.489 20 0 BCADHN CCN(C(=O)Cc1ccon1)[C@@H]1CCN(C)C1 ZINC000617555638 356112993 /nfs/dbraw/zinc/11/29/93/356112993.db2.gz ZZPDTUQLHBXLJG-LLVKDONJSA-N 0 3 237.303 0.770 20 0 BCADHN CCOCCC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000617556525 356113515 /nfs/dbraw/zinc/11/35/15/356113515.db2.gz SDAXQOKBKOHIBF-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCCOCC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000617556400 356117848 /nfs/dbraw/zinc/11/78/48/356117848.db2.gz PRXUOMGWODRGCE-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCN(C(=O)C1CCOCC1)[C@H]1CCN(C)C1 ZINC000617560274 356120066 /nfs/dbraw/zinc/12/00/66/356120066.db2.gz LGVONJVGUAHGRO-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(C(=O)c1cnn(C)c1)[C@H]1CCN(C)C1 ZINC000617560320 356120128 /nfs/dbraw/zinc/12/01/28/356120128.db2.gz MGDGNTIVZHXWTF-NSHDSACASA-N 0 3 236.319 0.586 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H](C)c1ccon1 ZINC000351712152 356067285 /nfs/dbraw/zinc/06/72/85/356067285.db2.gz NBFXKWNKHOYCDG-VIFPVBQESA-N 0 3 240.307 0.987 20 0 BCADHN COCC1(C(=O)NC[C@@H](C)N(C)C)CC1 ZINC000351720575 356070373 /nfs/dbraw/zinc/07/03/73/356070373.db2.gz NRAQSEMLCQOSSV-SECBINFHSA-N 0 3 214.309 0.479 20 0 BCADHN CN(C)C(=O)NCCN(C)CCCCF ZINC000351734146 356073803 /nfs/dbraw/zinc/07/38/03/356073803.db2.gz GTWMFABLKRVZKE-UHFFFAOYSA-N 0 3 219.304 0.939 20 0 BCADHN C[C@H](NCCn1cccn1)c1ccnn1C ZINC000192250670 356078384 /nfs/dbraw/zinc/07/83/84/356078384.db2.gz PQAUBKYRAQVXJL-JTQLQIEISA-N 0 3 219.292 0.967 20 0 BCADHN C[C@@H](NCCCn1ccnn1)c1ccnn1C ZINC000192252795 356079545 /nfs/dbraw/zinc/07/95/45/356079545.db2.gz QMYLLBMCDWWCEQ-SNVBAGLBSA-N 0 3 234.307 0.753 20 0 BCADHN CC(C)N1CCC[C@@H](N2C[C@@H](C)[C@@H](O)C2)C1=O ZINC000351820112 356089152 /nfs/dbraw/zinc/08/91/52/356089152.db2.gz CIAOTPYZHKNLJG-UTUOFQBUSA-N 0 3 240.347 0.698 20 0 BCADHN CC(C)N1CCC[C@H](N2C[C@@H](C)[C@H](O)C2)C1=O ZINC000351820110 356089172 /nfs/dbraw/zinc/08/91/72/356089172.db2.gz CIAOTPYZHKNLJG-GRYCIOLGSA-N 0 3 240.347 0.698 20 0 BCADHN CCN1CCC(N(C)C(=O)[C@@H](O)C(C)C)CC1 ZINC000351821717 356090626 /nfs/dbraw/zinc/09/06/26/356090626.db2.gz UDUQHMGXEQLTPI-LBPRGKRZSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](O)CC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000617550559 356092847 /nfs/dbraw/zinc/09/28/47/356092847.db2.gz XHWDUSJHUDTWJM-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@@H](O)CC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000617550557 356092994 /nfs/dbraw/zinc/09/29/94/356092994.db2.gz XHWDUSJHUDTWJM-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN CN(C)CCCCNC(=O)[C@@H]1CCC(=O)C1 ZINC000584352135 356095859 /nfs/dbraw/zinc/09/58/59/356095859.db2.gz GZPXEVVSWCYGQN-SNVBAGLBSA-N 0 3 226.320 0.814 20 0 BCADHN CC[C@H](CNC(=O)N1CCN[C@@H](C)[C@H]1C)OC ZINC000418231540 192001968 /nfs/dbraw/zinc/00/19/68/192001968.db2.gz GNIRDOSHVXVWOZ-HBNTYKKESA-N 0 3 243.351 0.803 20 0 BCADHN CCC[C@@H](CNC(=O)N1CCCNCC1)OC ZINC000418255790 192005764 /nfs/dbraw/zinc/00/57/64/192005764.db2.gz MVQQCPAFZQUKDG-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN C[C@H](Cn1cccn1)N[C@@H]1CCCN(C)C1=O ZINC000351891449 356156437 /nfs/dbraw/zinc/15/64/37/356156437.db2.gz QIJZXEOPTFOCAZ-GHMZBOCLSA-N 0 3 236.319 0.482 20 0 BCADHN NC(=O)NC(=O)CN1CCC[C@H]1C1CC1 ZINC000377533024 181254151 /nfs/dbraw/zinc/25/41/51/181254151.db2.gz DSYRNCDIMHNKIW-QMMMGPOBSA-N 0 3 211.265 0.056 20 0 BCADHN COCCCNC(=O)CN(C)CCCCF ZINC000351905358 356180002 /nfs/dbraw/zinc/18/00/02/356180002.db2.gz JWNSXNUNJMBTFO-UHFFFAOYSA-N 0 3 234.315 0.821 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1nccc(C)n1 ZINC000329901613 356141413 /nfs/dbraw/zinc/14/14/13/356141413.db2.gz HBRZCYKSTNOUMM-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1nccc(C)n1 ZINC000329901609 356141581 /nfs/dbraw/zinc/14/15/81/356141581.db2.gz HBRZCYKSTNOUMM-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN C[C@H]1OCC[C@@H]1CN(C)CC(=O)N1CCCC1 ZINC000639433658 356210913 /nfs/dbraw/zinc/21/09/13/356210913.db2.gz UVZFWWSMSHCJSQ-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@H](CO)[C@H]1C ZINC000336107561 134082795 /nfs/dbraw/zinc/08/27/95/134082795.db2.gz SRCIRYJSWYSFMY-ZJUUUORDSA-N 0 3 209.293 0.921 20 0 BCADHN NC(=O)N[C@@H]1CCN([C@@H]2C=CCCC2)C1 ZINC000270628697 181260686 /nfs/dbraw/zinc/26/06/86/181260686.db2.gz LFHJBPBZXPUWSV-NXEZZACHSA-N 0 3 209.293 0.838 20 0 BCADHN O=c1cc(CN(CCO)C2CC2)cc[nH]1 ZINC000639450902 356235676 /nfs/dbraw/zinc/23/56/76/356235676.db2.gz DMFBDOCMDVEPNS-UHFFFAOYSA-N 0 3 208.261 0.744 20 0 BCADHN O[C@@H]1CCCN(C[C@H]2CCc3ncnn32)C1 ZINC000639444851 356223327 /nfs/dbraw/zinc/22/33/27/356223327.db2.gz PDDWDBJUSLAADV-NXEZZACHSA-N 0 3 222.292 0.222 20 0 BCADHN C[C@H]1OCC[C@@H]1CN1CCN(CCO)CC1 ZINC000639444157 356225444 /nfs/dbraw/zinc/22/54/44/356225444.db2.gz HXTZRUCFJZMYME-VXGBXAGGSA-N 0 3 228.336 0.021 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1Cc2cncn2C1)N(C)C ZINC000623263976 356227801 /nfs/dbraw/zinc/22/78/01/356227801.db2.gz BZFOHNXEVBZKHX-MWLCHTKSSA-N 0 3 236.319 0.264 20 0 BCADHN CN(C)CCNC(=O)c1cnc(C2CC2)o1 ZINC000639448587 356229403 /nfs/dbraw/zinc/22/94/03/356229403.db2.gz JFOUXXLMOOIQDN-UHFFFAOYSA-N 0 3 223.276 0.843 20 0 BCADHN COCCN1CCN(C[C@@H]2CCO[C@H]2C)CC1 ZINC000639449267 356230269 /nfs/dbraw/zinc/23/02/69/356230269.db2.gz XEBOGTOWQMDSOB-STQMWFEESA-N 0 3 242.363 0.675 20 0 BCADHN NC(=O)N[C@@H]1CCN(CC2=CCCOC2)C1 ZINC000355204024 181260249 /nfs/dbraw/zinc/26/02/49/181260249.db2.gz VVWPKDWJCQNYKX-SNVBAGLBSA-N 0 3 225.292 0.076 20 0 BCADHN CN(C[C@H]1CCCO1)C[C@H]1CCc2ncnn21 ZINC000639452749 356233699 /nfs/dbraw/zinc/23/36/99/356233699.db2.gz BLSQEAXJFLEVSA-GHMZBOCLSA-N 0 3 236.319 0.876 20 0 BCADHN CC(C)CC[C@H](O)CN1CCOC[C@@H](O)C1 ZINC000331953722 356205790 /nfs/dbraw/zinc/20/57/90/356205790.db2.gz ZYBAHFUGXGBHAR-RYUDHWBXSA-N 0 3 231.336 0.477 20 0 BCADHN CNC(=O)CN(C)C[C@H]1CCO[C@@H]1C ZINC000639450504 356234834 /nfs/dbraw/zinc/23/48/34/356234834.db2.gz PTXICIDXNIFTKI-RKDXNWHRSA-N 0 3 200.282 0.089 20 0 BCADHN CNC(=O)CCN(C)C[C@H]1CC(C)(C)CO1 ZINC000639470868 356261807 /nfs/dbraw/zinc/26/18/07/356261807.db2.gz JLPKIUMZBQNMAS-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1nc2ccc(N3CCNC[C@H]3C)nn2n1 ZINC000420218747 192193884 /nfs/dbraw/zinc/19/38/84/192193884.db2.gz OKROUJLEDJMSBG-MRVPVSSYSA-N 0 3 232.291 0.231 20 0 BCADHN COCc1nc(C)cc(N2CCNC[C@H]2C)n1 ZINC000420219264 192193936 /nfs/dbraw/zinc/19/39/36/192193936.db2.gz PVCAUIIPFKCAJZ-SNVBAGLBSA-N 0 3 236.319 0.730 20 0 BCADHN CO[C@H]1CCCN(C[C@H]2CCc3ncnn32)C1 ZINC000639473061 356263335 /nfs/dbraw/zinc/26/33/35/356263335.db2.gz DTTKKEAGCSUDRX-MNOVXSKESA-N 0 3 236.319 0.876 20 0 BCADHN CO[C@@H]1CCCN(C[C@@H]2CCc3ncnn32)C1 ZINC000639473063 356264386 /nfs/dbraw/zinc/26/43/86/356264386.db2.gz DTTKKEAGCSUDRX-WDEREUQCSA-N 0 3 236.319 0.876 20 0 BCADHN COc1nc(C)nc(N2CCN[C@@H](C)C2)c1C ZINC000420240083 192182701 /nfs/dbraw/zinc/18/27/01/192182701.db2.gz QOJKXRQJZAMHDL-QMMMGPOBSA-N 0 3 236.319 0.900 20 0 BCADHN NC(=O)Nc1cccc(CNC(=O)C2(N)CC2)c1 ZINC000353511945 181262677 /nfs/dbraw/zinc/26/26/77/181262677.db2.gz WCVDFGNLMFQFCF-UHFFFAOYSA-N 0 3 248.286 0.285 20 0 BCADHN O=C(NC/C=C/CO)[C@@H]1CCCN1C1CC1 ZINC000617684393 356282334 /nfs/dbraw/zinc/28/23/34/356282334.db2.gz VQGOVNOTPJCMQG-GXFZAYBSSA-N 0 3 224.304 0.278 20 0 BCADHN NC(=O)N[C@@H]1CCN(CCc2ccccn2)C1 ZINC000270654720 181260987 /nfs/dbraw/zinc/26/09/87/181260987.db2.gz PKXMEDWWBCFQJF-LLVKDONJSA-N 0 3 234.303 0.367 20 0 BCADHN NC(=O)N[C@H]1CCN(C[C@H]2CCC=CO2)C1 ZINC000278911057 181261424 /nfs/dbraw/zinc/26/14/24/181261424.db2.gz SMKKHLASGOWFDD-VHSXEESVSA-N 0 3 225.292 0.422 20 0 BCADHN C[C@H](O)CN(C)C[C@@H]1CCc2ncnn21 ZINC000639499197 356324578 /nfs/dbraw/zinc/32/45/78/356324578.db2.gz HDWYEOILUAAQJX-IUCAKERBSA-N 0 3 210.281 0.078 20 0 BCADHN C[C@H](O)CN(C)C[C@H]1CCc2ncnn21 ZINC000639499196 356324982 /nfs/dbraw/zinc/32/49/82/356324982.db2.gz HDWYEOILUAAQJX-DTWKUNHWSA-N 0 3 210.281 0.078 20 0 BCADHN NC(=O)[C@@H](NC[C@@H]1CCOC1)c1ccccc1 ZINC000298381524 181265320 /nfs/dbraw/zinc/26/53/20/181265320.db2.gz DDJJXDLJWQJYKF-JQWIXIFHSA-N 0 3 234.299 0.839 20 0 BCADHN CC(C)[C@@H]1C(=O)NCCN1C[C@H]1CCO[C@@H]1C ZINC000639483374 356297929 /nfs/dbraw/zinc/29/79/29/356297929.db2.gz TTXNGAPNGDXVPQ-IJLUTSLNSA-N 0 3 240.347 0.868 20 0 BCADHN CC(C)[C@@H]1C(=O)NCCN1C[C@H]1CCO[C@H]1C ZINC000639483375 356298079 /nfs/dbraw/zinc/29/80/79/356298079.db2.gz TTXNGAPNGDXVPQ-QJPTWQEYSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@H](O)CN(C)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000639500749 356327691 /nfs/dbraw/zinc/32/76/91/356327691.db2.gz UURDCVSNKBEOIZ-WCQGTBRESA-N 0 3 231.336 0.211 20 0 BCADHN C[C@@H](CCNC(=O)c1csc(=O)[n-]1)[NH+](C)C ZINC000617756626 356317324 /nfs/dbraw/zinc/31/73/24/356317324.db2.gz KTBOHORPAYFDKN-ZETCQYMHSA-N 0 3 243.332 0.919 20 0 BCADHN CCCNC(=O)CN1CCNC[C@@](C)(F)C1 ZINC000420332374 192214268 /nfs/dbraw/zinc/21/42/68/192214268.db2.gz 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C[C@@H]1OCC[C@@H]1CN1CCN2C(=O)NC[C@H]2C1 ZINC000639513543 356351066 /nfs/dbraw/zinc/35/10/66/356351066.db2.gz HDPSDYBNFPVZNB-AXFHLTTASA-N 0 3 239.319 0.121 20 0 BCADHN CC(=O)N1CCN(C[C@@H]2CCO[C@@H]2C)[C@H](C)C1 ZINC000639517968 356360146 /nfs/dbraw/zinc/36/01/46/356360146.db2.gz UPQWTBFAFWTEQS-WZRBSPASSA-N 0 3 240.347 0.964 20 0 BCADHN CC(=O)N1CCN(C[C@@H]2CCO[C@@H]2C)[C@@H](C)C1 ZINC000639517966 356360362 /nfs/dbraw/zinc/36/03/62/356360362.db2.gz UPQWTBFAFWTEQS-LOWVWBTDSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)CNC(=O)N(C)CCN(C)C ZINC000352461700 356360849 /nfs/dbraw/zinc/36/08/49/356360849.db2.gz QTFLBLTXJACEDQ-UHFFFAOYSA-N 0 3 201.314 0.845 20 0 BCADHN Cn1cncc1CCN(CC(N)=O)C(C)(C)C ZINC000639519746 356364281 /nfs/dbraw/zinc/36/42/81/356364281.db2.gz OOZBHWMBOHZPSO-UHFFFAOYSA-N 0 3 238.335 0.548 20 0 BCADHN NC(=O)[C@@H]1CCCN(Cc2ccc(N)nc2)C1 ZINC000050792056 181269124 /nfs/dbraw/zinc/26/91/24/181269124.db2.gz ZYEJGKNPVOBOFH-SNVBAGLBSA-N 0 3 234.303 0.361 20 0 BCADHN 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ZINC000352193726 134098424 /nfs/dbraw/zinc/09/84/24/134098424.db2.gz FJASKNOVGFZPAI-GHMZBOCLSA-N 0 3 230.352 0.946 20 0 BCADHN CCN1CCN(CCCNC(C)=O)[C@@H](C)C1 ZINC000352659141 356399326 /nfs/dbraw/zinc/39/93/26/356399326.db2.gz LSSXSSGXNOFBHW-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN CCN1CCN(C[C@H]2CCc3ncnn32)C[C@H]1C ZINC000639546746 356410050 /nfs/dbraw/zinc/41/00/50/356410050.db2.gz KQHXZUOEIMTNPG-VXGBXAGGSA-N 0 3 249.362 0.791 20 0 BCADHN C[C@@H](CO)N(C)C[C@H]1CCc2ncnn21 ZINC000639546939 356412757 /nfs/dbraw/zinc/41/27/57/356412757.db2.gz NDRPBASMHLZQHR-DTWKUNHWSA-N 0 3 210.281 0.078 20 0 BCADHN CCN(C[C@@H](C)O)[C@H](C)C(=O)N(C)C(C)C ZINC000352203538 134103031 /nfs/dbraw/zinc/10/30/31/134103031.db2.gz SQWFENHVXATFIC-GHMZBOCLSA-N 0 3 230.352 0.944 20 0 BCADHN NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289496462 181273365 /nfs/dbraw/zinc/27/33/65/181273365.db2.gz DACOAWXHHYPTQM-IUCAKERBSA-N 0 3 205.213 0.776 20 0 BCADHN CCCN(C)CC(=O)N1CCN(C)C[C@H]1CC ZINC000580351855 356429776 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/nfs/dbraw/zinc/74/59/47/538745947.db2.gz KWUVQMAVGUVCMA-UHFFFAOYSA-N 0 3 224.308 0.378 20 0 BCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)[C@@H]1CCCO1 ZINC000121725168 356926730 /nfs/dbraw/zinc/92/67/30/356926730.db2.gz RLXNTKULWYFAEZ-NEPJUHHUSA-N 0 3 238.331 0.766 20 0 BCADHN O=C(N[C@H]1CCN(CC2CC2)C1)[C@@H]1CCCO1 ZINC000121725314 356929124 /nfs/dbraw/zinc/92/91/24/356929124.db2.gz RLXNTKULWYFAEZ-RYUDHWBXSA-N 0 3 238.331 0.766 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)CCCC(N)=O ZINC000361918247 356939440 /nfs/dbraw/zinc/93/94/40/356939440.db2.gz FSVHOCIQRHEBAO-JTQLQIEISA-N 0 3 241.335 0.243 20 0 BCADHN C[C@H]1[C@@H](NC(=O)CC2(O)CCC2)CCCN1C ZINC000450546813 202194741 /nfs/dbraw/zinc/19/47/41/202194741.db2.gz LBTURPWBVVVELU-QWRGUYRKSA-N 0 3 240.347 0.890 20 0 BCADHN CCCCOC[C@H](O)CN(C)C[C@@H](C)O ZINC000193249841 356897252 /nfs/dbraw/zinc/89/72/52/356897252.db2.gz CGURPWDGOJMJSP-GHMZBOCLSA-N 0 3 219.325 0.477 20 0 BCADHN CCCCOC[C@@H](O)CN1CC[C@H](O)C1 ZINC000193250012 356897791 /nfs/dbraw/zinc/89/77/91/356897791.db2.gz LMBFZRNEEIUEHD-QWRGUYRKSA-N 0 3 217.309 0.231 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)C1(C)COC1 ZINC000359923344 356898190 /nfs/dbraw/zinc/89/81/90/356898190.db2.gz WFGQLBUUBSMBBL-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1C2CCC1CC2 ZINC000399524605 356968292 /nfs/dbraw/zinc/96/82/92/356968292.db2.gz LDFNLZXPOZKJNN-VQXHTEKXSA-N 0 3 227.304 0.927 20 0 BCADHN CCOC(=O)C[C@H](O)CN1C2CCC1CC2 ZINC000399524602 356968449 /nfs/dbraw/zinc/96/84/49/356968449.db2.gz LDFNLZXPOZKJNN-ILDUYXDCSA-N 0 3 227.304 0.927 20 0 BCADHN Cc1cnccc1CCN1CCN(C)C[C@H]1CO ZINC000639867148 356989023 /nfs/dbraw/zinc/98/90/23/356989023.db2.gz KNLYVMUVCWNOER-AWEZNQCLSA-N 0 3 249.358 0.541 20 0 BCADHN CCN1CCCN(c2nccn3cnnc23)CC1 ZINC000362863619 356949801 /nfs/dbraw/zinc/94/98/01/356949801.db2.gz VMRHPSASNPXBSC-UHFFFAOYSA-N 0 3 246.318 0.656 20 0 BCADHN CC[C@@H](O)CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000369826541 356997547 /nfs/dbraw/zinc/99/75/47/356997547.db2.gz XIWJVHDEIIAHRU-FRRDWIJNSA-N 0 3 242.363 0.288 20 0 BCADHN C[C@@H]1COCCN1CCNCC1(F)CC1 ZINC000389743994 357024490 /nfs/dbraw/zinc/02/44/90/357024490.db2.gz WSOSAEYEQRHZHZ-SNVBAGLBSA-N 0 3 216.300 0.799 20 0 BCADHN COCc1cc(CNCCC(N)=O)ccc1F ZINC000582296676 357030376 /nfs/dbraw/zinc/03/03/76/357030376.db2.gz QXDBPAPBYIFHOA-UHFFFAOYSA-N 0 3 240.278 0.937 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H](C)[C@@H]1CCCO1 ZINC000582301173 357038020 /nfs/dbraw/zinc/03/80/20/357038020.db2.gz VUUUSCAVAIOLEH-ZRUFSTJUSA-N 0 3 215.293 0.557 20 0 BCADHN Cc1nn(C)c(C)c1CCCNC(=O)CN ZINC000582302482 357040211 /nfs/dbraw/zinc/04/02/11/357040211.db2.gz XAGCSTUPSFFPQV-UHFFFAOYSA-N 0 3 224.308 0.044 20 0 BCADHN O=C1NCC[C@]12CCCN2CC[C@@H]1CCCO1 ZINC000582309372 357047886 /nfs/dbraw/zinc/04/78/86/357047886.db2.gz BVIRUEJVZVBAIW-WCQYABFASA-N 0 3 238.331 0.910 20 0 BCADHN CC[C@H](CN1CCN(c2ncc[nH]2)CC1)OC ZINC000582309232 357048019 /nfs/dbraw/zinc/04/80/19/357048019.db2.gz VISYJUMHMHWHOL-LLVKDONJSA-N 0 3 238.335 0.957 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000582359154 357103555 /nfs/dbraw/zinc/10/35/55/357103555.db2.gz SHKYOFPKMALLCV-LLVKDONJSA-N 0 3 249.314 0.844 20 0 BCADHN O=C(NCCc1cnccn1)[C@@H]1CCCCN1 ZINC000390234334 357086569 /nfs/dbraw/zinc/08/65/69/357086569.db2.gz SPOBCXMZBAPDCF-NSHDSACASA-N 0 3 234.303 0.277 20 0 BCADHN CCN1C[C@@H](NC(=O)[C@@H](N)CC(C)C)CC1=O ZINC000391590964 357131432 /nfs/dbraw/zinc/13/14/32/357131432.db2.gz ZKRXNQFMYJNTES-UWVGGRQHSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)CC[C@H](O)CN1CCNC(=O)C[C@@H]1C ZINC000373604193 357138733 /nfs/dbraw/zinc/13/87/33/357138733.db2.gz OWPABWHGCKHIQK-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CCc1nc(CN[C@@H]2C[C@H](O)C2(C)C)n[nH]1 ZINC000392362322 357147707 /nfs/dbraw/zinc/14/77/07/357147707.db2.gz RVSHNWMLZALSPU-SFYZADRCSA-N 0 3 224.308 0.616 20 0 BCADHN CCc1nnc(CNC[C@@H](C)COC)[nH]1 ZINC000392334525 357148461 /nfs/dbraw/zinc/14/84/61/357148461.db2.gz GBFORSKDOIFKBU-MRVPVSSYSA-N 0 3 212.297 0.739 20 0 BCADHN CCc1nnc(C[NH2+]C[C@@H](C)COC)[n-]1 ZINC000392334525 357148467 /nfs/dbraw/zinc/14/84/67/357148467.db2.gz GBFORSKDOIFKBU-MRVPVSSYSA-N 0 3 212.297 0.739 20 0 BCADHN CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)O ZINC000304283226 357161014 /nfs/dbraw/zinc/16/10/14/357161014.db2.gz ZJQUSVOLAYOMRX-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccc(=O)[nH]c1 ZINC000392656969 357169886 /nfs/dbraw/zinc/16/98/86/357169886.db2.gz YFXGQQSOCVUSOE-ZETCQYMHSA-N 0 3 209.249 0.011 20 0 BCADHN NC(=O)CCNCc1ccc2c(c1)COC2 ZINC000390774121 357116088 /nfs/dbraw/zinc/11/60/88/357116088.db2.gz YZHCKEKWHBDLLF-UHFFFAOYSA-N 0 3 220.272 0.682 20 0 BCADHN CC(C)CN1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373239872 357123268 /nfs/dbraw/zinc/12/32/68/357123268.db2.gz BJDSXNPMSHFLLK-SNVBAGLBSA-N 0 3 211.309 0.694 20 0 BCADHN CC(C)CN1CCN2C(=O)N(C)C[C@H]2C1 ZINC000373239870 357123723 /nfs/dbraw/zinc/12/37/23/357123723.db2.gz BJDSXNPMSHFLLK-JTQLQIEISA-N 0 3 211.309 0.694 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CC(=O)N(CC)C1 ZINC000391571038 357130935 /nfs/dbraw/zinc/13/09/35/357130935.db2.gz MFDREBHRMFMFIX-KKZNHRDASA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000583694573 357192569 /nfs/dbraw/zinc/19/25/69/357192569.db2.gz HGSOKSNEFMFCTJ-BBBLOLIVSA-N 0 3 212.293 0.361 20 0 BCADHN CCCC(=O)NC1CCN(CCO)CC1 ZINC000586044920 538814713 /nfs/dbraw/zinc/81/47/13/538814713.db2.gz PGXGVXUHMPWLRG-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN c1cc(N2CC(NC3CCOCC3)C2)ncn1 ZINC000631258576 357226428 /nfs/dbraw/zinc/22/64/28/357226428.db2.gz VCTXUVKQISQQQR-UHFFFAOYSA-N 0 3 234.303 0.434 20 0 BCADHN c1cc(N2CC(NCC3=CCCOC3)C2)ncn1 ZINC000631258792 357227941 /nfs/dbraw/zinc/22/79/41/357227941.db2.gz YORWOFQLSZHNPT-UHFFFAOYSA-N 0 3 246.314 0.602 20 0 BCADHN CN(CCc1cnccn1)C[C@H]1C[C@@H](O)C1 ZINC000639894094 357228969 /nfs/dbraw/zinc/22/89/69/357228969.db2.gz MYJKRWQJGIHPQK-KLPPZKSPSA-N 0 3 221.304 0.722 20 0 BCADHN CC1(C)C[C@@H](NC(=O)CN)c2cc(N)ccc2O1 ZINC000377758312 357237933 /nfs/dbraw/zinc/23/79/33/357237933.db2.gz GXXVYZZVEKKYLP-SNVBAGLBSA-N 0 3 249.314 0.946 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N1CC(O)C1 ZINC000305154642 357185982 /nfs/dbraw/zinc/18/59/82/357185982.db2.gz VHXWJEQDXPRLLR-JTQLQIEISA-N 0 3 212.293 0.064 20 0 BCADHN CO[C@H](CN)C(=O)NC(C)(C)C(C)C ZINC000393620507 357290437 /nfs/dbraw/zinc/29/04/37/357290437.db2.gz DXGAXERJTLFQSP-MRVPVSSYSA-N 0 3 202.298 0.511 20 0 BCADHN CCOCCN[C@H]1C(=O)NCC[C@@H]1C ZINC000193600858 357261041 /nfs/dbraw/zinc/26/10/41/357261041.db2.gz DGDFWGXXVGVTAV-DTWKUNHWSA-N 0 3 200.282 0.137 20 0 BCADHN CCOCCN[C@@H]1C(=O)NCC[C@@H]1C ZINC000193600870 357261391 /nfs/dbraw/zinc/26/13/91/357261391.db2.gz DGDFWGXXVGVTAV-IUCAKERBSA-N 0 3 200.282 0.137 20 0 BCADHN CS[C@@H](C)CC(=O)NC[C@H]1CNCCO1 ZINC000578197017 366382999 /nfs/dbraw/zinc/38/29/99/366382999.db2.gz ZYXLAMYMNORMMD-DTWKUNHWSA-N 0 3 232.349 0.233 20 0 BCADHN CC(C)OC[C@H](O)CNCCNC(=O)C(C)C ZINC000393160936 357278520 /nfs/dbraw/zinc/27/85/20/357278520.db2.gz XTVVMBJBLOPDAF-LLVKDONJSA-N 0 3 246.351 0.134 20 0 BCADHN C[C@@H](CC(N)=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000582725642 357373375 /nfs/dbraw/zinc/37/33/75/357373375.db2.gz UHAUPARETQGGGR-IUCAKERBSA-N 0 3 241.335 0.239 20 0 BCADHN O[C@@H]1CCCC[C@H]1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000582731303 357375223 /nfs/dbraw/zinc/37/52/23/357375223.db2.gz ZPJKTNCJZNOAIX-WUHRBBMRSA-N 0 3 241.331 0.637 20 0 BCADHN CN(C)[C@H]1CN(C(=O)CC2(C)CC2)C[C@@H]1O ZINC000582556052 357343251 /nfs/dbraw/zinc/34/32/51/357343251.db2.gz KNWPOKPBOJTEHY-UWVGGRQHSA-N 0 3 226.320 0.310 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cc(C)cc(N)c1 ZINC000582664583 357358128 /nfs/dbraw/zinc/35/81/28/357358128.db2.gz JOLLXEGYBJDVIO-LLVKDONJSA-N 0 3 221.304 0.931 20 0 BCADHN CN(C)C(=O)CCCN1CCCO[C@@H](CF)C1 ZINC000582674446 357361280 /nfs/dbraw/zinc/36/12/80/357361280.db2.gz KGVFGQBTDWGZRX-NSHDSACASA-N 0 3 246.326 0.915 20 0 BCADHN C[C@@H](Cc1cnc[nH]1)C(=O)NCCN1CCC1 ZINC000582674313 357361486 /nfs/dbraw/zinc/36/14/86/357361486.db2.gz JNPDHMCSSZKVFW-JTQLQIEISA-N 0 3 236.319 0.410 20 0 BCADHN CCc1nnc(CN[C@H]2CN(C3CC3)C[C@@H]2C)[nH]1 ZINC000582646575 357362474 /nfs/dbraw/zinc/36/24/74/357362474.db2.gz ZFATUZABAQIUSZ-ONGXEEELSA-N 0 3 249.362 0.939 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000582677300 357367002 /nfs/dbraw/zinc/36/70/02/357367002.db2.gz PWVHFTSAPDEKSR-IUCAKERBSA-N 0 3 241.335 0.110 20 0 BCADHN COC[C@@](C)(O)CN[C@H](C)c1cn[nH]c1 ZINC000394595231 357368053 /nfs/dbraw/zinc/36/80/53/357368053.db2.gz AYGSIBYPJUWERH-SCZZXKLOSA-N 0 3 213.281 0.458 20 0 BCADHN COC[C@@](C)(O)CN[C@@H](C)c1cn[nH]c1 ZINC000394595236 357368167 /nfs/dbraw/zinc/36/81/67/357368167.db2.gz AYGSIBYPJUWERH-WPRPVWTQSA-N 0 3 213.281 0.458 20 0 BCADHN COC[C@](C)(O)CN[C@H](C)c1cn[nH]c1 ZINC000394595229 357368293 /nfs/dbraw/zinc/36/82/93/357368293.db2.gz AYGSIBYPJUWERH-PSASIEDQSA-N 0 3 213.281 0.458 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1cncnc1 ZINC000394860887 357384178 /nfs/dbraw/zinc/38/41/78/357384178.db2.gz ACAAJDMLXFPJSF-SSDOTTSWSA-N 0 3 206.249 0.556 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCc1csc(=O)[nH]1 ZINC000394877484 357385416 /nfs/dbraw/zinc/38/54/16/357385416.db2.gz FVXLJNRPOUJDTJ-LURJTMIESA-N 0 3 241.316 0.605 20 0 BCADHN CNC(=O)N[C@H]1CCN(CC2(C)CC2)C1 ZINC000582940852 357441035 /nfs/dbraw/zinc/44/10/35/357441035.db2.gz NSBINCAAVKSKGY-VIFPVBQESA-N 0 3 211.309 0.790 20 0 BCADHN CNC(=O)N[C@@H]1CCN(CC2(C)CC2)C1 ZINC000582940851 357441200 /nfs/dbraw/zinc/44/12/00/357441200.db2.gz NSBINCAAVKSKGY-SECBINFHSA-N 0 3 211.309 0.790 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@@]1(C)CCOC1 ZINC000394988516 357406660 /nfs/dbraw/zinc/40/66/60/357406660.db2.gz CMDYLISLLVMZHJ-KCJUWKMLSA-N 0 3 212.293 0.422 20 0 BCADHN CC(C)[C@@H](O)CNC[C@H](C)S(C)(=O)=O ZINC000582846006 357409864 /nfs/dbraw/zinc/40/98/64/357409864.db2.gz TVCXWWBNJJZBRN-IUCAKERBSA-N 0 3 223.338 0.026 20 0 BCADHN CN(C(=O)c1ccc2n[n-]nc2c1)[C@@H]1CC[NH2+]C1 ZINC000582844178 357414995 /nfs/dbraw/zinc/41/49/95/357414995.db2.gz WLXKGNVCOVTWPW-SECBINFHSA-N 0 3 245.286 0.392 20 0 BCADHN c1cnnc(N2CCN3CCC2CC3)c1 ZINC000033980291 357497940 /nfs/dbraw/zinc/49/79/40/357497940.db2.gz JKFYQFWVSVPQHD-UHFFFAOYSA-N 0 3 204.277 0.761 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1nc2c(s1)COCC2 ZINC000583138204 357499392 /nfs/dbraw/zinc/49/93/92/357499392.db2.gz YPZQALHTUAJSIB-NTSWFWBYSA-N 0 3 239.300 0.502 20 0 BCADHN C[C@H](CNCC[C@H]1CCCCO1)S(C)(=O)=O ZINC000583020677 357451663 /nfs/dbraw/zinc/45/16/63/357451663.db2.gz STWZJWGUCBKZDH-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN O=C(CNC1CC1)NCc1nc2cccnc2[nH]1 ZINC000583023396 357452616 /nfs/dbraw/zinc/45/26/16/357452616.db2.gz NPAFQFMPWRERHE-UHFFFAOYSA-N 0 3 245.286 0.326 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)CNC[C@@H]2CCCO2)CO1 ZINC000583085465 357475654 /nfs/dbraw/zinc/47/56/54/357475654.db2.gz FHNWTRNEJFAASE-MXWKQRLJSA-N 0 3 242.319 0.049 20 0 BCADHN O=C(Cn1cccn1)N1CCN2CCC1CC2 ZINC000188613297 357568569 /nfs/dbraw/zinc/56/85/69/357568569.db2.gz ZDWFFKGJVDXJQB-UHFFFAOYSA-N 0 3 234.303 0.190 20 0 BCADHN C[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)C1CCOCC1 ZINC000188617951 357568588 /nfs/dbraw/zinc/56/85/88/357568588.db2.gz KOPSKPJRJGNPKQ-DVVUODLYSA-N 0 3 244.310 0.618 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@]1(C)CCOC1 ZINC000397377250 357513927 /nfs/dbraw/zinc/51/39/27/357513927.db2.gz MRXMPXWWVHEBPD-WPRPVWTQSA-N 0 3 200.282 0.137 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H]2C[C@H](F)CN2)CCO1 ZINC000188307899 357527167 /nfs/dbraw/zinc/52/71/67/357527167.db2.gz GYOIDZYQLBSSHA-IVZWLZJFSA-N 0 3 230.283 0.324 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@@](C)(O)CC1 ZINC000230379432 357531702 /nfs/dbraw/zinc/53/17/02/357531702.db2.gz UYZYXAQBYHAXMQ-GFCCVEGCSA-N 0 3 228.336 0.748 20 0 BCADHN COc1ccc([O-])c(C(=O)NCC[C@H](C)[NH3+])c1 ZINC000063169885 357551156 /nfs/dbraw/zinc/55/11/56/357551156.db2.gz CWEBYBQSTLRXII-QMMMGPOBSA-N 0 3 238.287 0.868 20 0 BCADHN C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000063171347 357552982 /nfs/dbraw/zinc/55/29/82/357552982.db2.gz SNJSLFHTUMJITI-SSDOTTSWSA-N 0 3 247.295 0.236 20 0 BCADHN CC[C@@H](COC)N[C@@H](C)C(=O)N(C)CC ZINC000188499094 357556631 /nfs/dbraw/zinc/55/66/31/357556631.db2.gz LNPARBKPAZUZRV-UWVGGRQHSA-N 0 3 216.325 0.868 20 0 BCADHN C[C@@H]1CC[C@@H](CN(C)CCN2CCOCC2)O1 ZINC000188549932 357560859 /nfs/dbraw/zinc/56/08/59/357560859.db2.gz YWFCYRZDHZZPAQ-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN CCNS(=O)(=O)N[C@H](C)CN(CC)CC ZINC000360029215 538859947 /nfs/dbraw/zinc/85/99/47/538859947.db2.gz KMNHCNPCEFYQQG-SECBINFHSA-N 0 3 237.369 0.161 20 0 BCADHN O=C1CC[C@H](NCc2cncc(F)c2)CN1 ZINC000230940321 357582196 /nfs/dbraw/zinc/58/21/96/357582196.db2.gz MSRQHGCKKFOIMU-JTQLQIEISA-N 0 3 223.251 0.589 20 0 BCADHN COC[C@H](CNCc1cncc(F)c1)OC ZINC000230942319 357584483 /nfs/dbraw/zinc/58/44/83/357584483.db2.gz YIRZFCGHJFIGHV-NSHDSACASA-N 0 3 228.267 0.972 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](C)CCO)N(C)C ZINC000158847960 538869401 /nfs/dbraw/zinc/86/94/01/538869401.db2.gz VVFYKEYPBQYKFQ-UWVGGRQHSA-N 0 3 216.325 0.461 20 0 BCADHN CCN(CC)C(=O)CN[C@@H](CCO)C(C)C ZINC000231040852 357597327 /nfs/dbraw/zinc/59/73/27/357597327.db2.gz RWPQAIFKAFVFPR-NSHDSACASA-N 0 3 230.352 0.851 20 0 BCADHN COC(CN1CCCN(C2CC2)CC1)OC ZINC000188982929 357597876 /nfs/dbraw/zinc/59/78/76/357597876.db2.gz OEVASRBFJDYWBF-UHFFFAOYSA-N 0 3 228.336 0.775 20 0 BCADHN Cc1nccc(NCCOCCN(C)C)n1 ZINC000231208216 357599647 /nfs/dbraw/zinc/59/96/47/357599647.db2.gz DVPRADZLHBECEP-UHFFFAOYSA-N 0 3 224.308 0.775 20 0 BCADHN COC[C@H](O)CCNCc1cnn2ccccc12 ZINC000231605776 357611661 /nfs/dbraw/zinc/61/16/61/357611661.db2.gz MIOUKAMRKNPUSP-GFCCVEGCSA-N 0 3 249.314 0.821 20 0 BCADHN Cc1cnccc1CCN(CCO)C[C@@H](C)O ZINC000397646792 357618392 /nfs/dbraw/zinc/61/83/92/357618392.db2.gz VQYSHXAKVQWEKE-GFCCVEGCSA-N 0 3 238.331 0.608 20 0 BCADHN COCCCSc1nnnn1CCN(C)C ZINC000063562954 357661286 /nfs/dbraw/zinc/66/12/86/357661286.db2.gz DRQSOJVUVHOEFK-UHFFFAOYSA-N 0 3 245.352 0.363 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H](C)[C@@H]1CO ZINC000189733312 357665105 /nfs/dbraw/zinc/66/51/05/357665105.db2.gz UCMAHRKPMAGXGK-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCCC2)[C@@H]1CO ZINC000189730740 357665142 /nfs/dbraw/zinc/66/51/42/357665142.db2.gz XNSNOQXEHIXGPO-WDEREUQCSA-N 0 3 226.320 0.312 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@H](C)[C@@H]1CO ZINC000189728740 357665360 /nfs/dbraw/zinc/66/53/60/357665360.db2.gz YIGROOSFTHYTLJ-DCAQKATOSA-N 0 3 228.336 0.604 20 0 BCADHN CCCCNC(=O)CN1CC[C@@H](C)[C@@H]1CO ZINC000189724999 357665492 /nfs/dbraw/zinc/66/54/92/357665492.db2.gz XLPMGHRDQPYLMJ-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN COCCN(CCO)C[C@H](O)C1CCCCC1 ZINC000190505880 357714044 /nfs/dbraw/zinc/71/40/44/357714044.db2.gz VISFEHJISUOVMO-ZDUSSCGKSA-N 0 3 245.363 0.868 20 0 BCADHN CCN1CCCN([C@H]2CCCC[C@@H]2O)CC1=O ZINC000190180351 357691042 /nfs/dbraw/zinc/69/10/42/357691042.db2.gz VSYCXXVOURPIKV-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN CCCC[C@H](CC)CNC(=O)C(=O)NCCN ZINC000233018401 357691814 /nfs/dbraw/zinc/69/18/14/357691814.db2.gz ZDLQWTWBNSNVJL-JTQLQIEISA-N 0 3 243.351 0.394 20 0 BCADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CO ZINC000190892026 357728946 /nfs/dbraw/zinc/72/89/46/357728946.db2.gz LIYDVGXFILDOCB-ZJUUUORDSA-N 0 3 226.320 0.167 20 0 BCADHN CNC(=O)[C@H]1CCCN1C[C@@H]1CC[C@H](C)O1 ZINC000190427140 357707014 /nfs/dbraw/zinc/70/70/14/357707014.db2.gz FBRZVWYJVLWWNQ-GARJFASQSA-N 0 3 226.320 0.764 20 0 BCADHN CC(C)CNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190902911 357732821 /nfs/dbraw/zinc/73/28/21/357732821.db2.gz JMDKADDQVGAJFM-UTUOFQBUSA-N 0 3 242.363 0.707 20 0 BCADHN CN1CCCN(CCCn2ccnc2)CC1=O ZINC000191158469 357738831 /nfs/dbraw/zinc/73/88/31/357738831.db2.gz JJEMCVTXMHYZSW-UHFFFAOYSA-N 0 3 236.319 0.437 20 0 BCADHN NC1(C(=O)NCC2(CCO)CCCC2)CCC1 ZINC000583262113 357748664 /nfs/dbraw/zinc/74/86/64/357748664.db2.gz SOQDJXDROXJATP-UHFFFAOYSA-N 0 3 240.347 0.927 20 0 BCADHN COCCOCCN1[C@H](C)CC(O)C[C@@H]1C ZINC000191276672 357761280 /nfs/dbraw/zinc/76/12/80/357761280.db2.gz FOQZCRXVXOEUJE-FOSCPWQOSA-N 0 3 231.336 0.883 20 0 BCADHN COC[C@@](C)(O)CNCc1ccnc(C)c1 ZINC000623415502 357768329 /nfs/dbraw/zinc/76/83/29/357768329.db2.gz NFEOBVWODSWPRG-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN CCN1CCN(CCN2CCO[C@H](C)C2)CC1 ZINC000191406314 357769640 /nfs/dbraw/zinc/76/96/40/357769640.db2.gz ZSYGDBCUQPGECD-CYBMUJFWSA-N 0 3 241.379 0.345 20 0 BCADHN CCN1CCN(CCN2CCO[C@@H](C)C2)CC1 ZINC000191406332 357769728 /nfs/dbraw/zinc/76/97/28/357769728.db2.gz ZSYGDBCUQPGECD-ZDUSSCGKSA-N 0 3 241.379 0.345 20 0 BCADHN C[C@@H]1CN(CCN(CCO)C2CC2)CCO1 ZINC000191438980 357771228 /nfs/dbraw/zinc/77/12/28/357771228.db2.gz CYVMCDNMKOHXQL-LLVKDONJSA-N 0 3 228.336 0.164 20 0 BCADHN CCN(CC)CCCN1CCS(=O)(=O)CC1 ZINC000191479859 357773977 /nfs/dbraw/zinc/77/39/77/357773977.db2.gz BLJHEHBHTJKCLR-UHFFFAOYSA-N 0 3 248.392 0.449 20 0 BCADHN CC[C@](C)(OC)C(=O)NC[C@@](C)(O)CN(C)C ZINC000234116845 357774920 /nfs/dbraw/zinc/77/49/20/357774920.db2.gz LIMHSZXZJGTLBW-NEPJUHHUSA-N 0 3 246.351 0.230 20 0 BCADHN C[C@H]1COCCN1CCN(C)CC(C)(C)O ZINC000191496338 357775061 /nfs/dbraw/zinc/77/50/61/357775061.db2.gz ZPDDWEZIYBLDEQ-NSHDSACASA-N 0 3 230.352 0.410 20 0 BCADHN CC[C@@H](C)C(=O)N1CCN(CCN(C)C)CC1 ZINC000055293360 363589295 /nfs/dbraw/zinc/58/92/95/363589295.db2.gz OLTJSQZMULCVJX-GFCCVEGCSA-N 0 3 241.379 0.738 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)C(C)(C)O ZINC000234320723 357800883 /nfs/dbraw/zinc/80/08/83/357800883.db2.gz YHEJPYVBBLPYNH-UHFFFAOYSA-N 0 3 228.336 0.558 20 0 BCADHN CN(C(=O)CN[C@H]1CCO[C@H]1C1CC1)C1CC1 ZINC000234240006 357787404 /nfs/dbraw/zinc/78/74/04/357787404.db2.gz KLUUWECUWODBQV-AAEUAGOBSA-N 0 3 238.331 0.764 20 0 BCADHN COCCCNC(=O)[C@H](C)N[C@@H](C)[C@@H](C)OC ZINC000191714180 357789538 /nfs/dbraw/zinc/78/95/38/357789538.db2.gz BOWLOQQUYUMJOW-GARJFASQSA-N 0 3 246.351 0.541 20 0 BCADHN CCC[C@@H](CCO)N[C@H](C)CS(C)(=O)=O ZINC000631667681 357789993 /nfs/dbraw/zinc/78/99/93/357789993.db2.gz FQKLFRKJSMXFET-ZJUUUORDSA-N 0 3 237.365 0.560 20 0 BCADHN CN(C)CCN(C)C(=O)CNCC(F)(F)F ZINC000086136761 357856630 /nfs/dbraw/zinc/85/66/30/357856630.db2.gz UBODUGDVNOSUMI-UHFFFAOYSA-N 0 3 241.257 0.158 20 0 BCADHN C[C@@H](N[C@@H]1CCC(=O)NC1)c1ccnn1C ZINC000235212285 357857717 /nfs/dbraw/zinc/85/77/17/357857717.db2.gz ABGHZPVQVBVULP-RKDXNWHRSA-N 0 3 222.292 0.349 20 0 BCADHN CO[C@@H]1CN(C[C@H](O)COC(C)C)C[C@@H]1OC ZINC000234809669 357831864 /nfs/dbraw/zinc/83/18/64/357831864.db2.gz BTEPZKIDICJIIC-SDDRHHMPSA-N 0 3 247.335 0.118 20 0 BCADHN O=C1[N-]C(=O)[C@]2(CCC[N@H+](CC3CC3)C2)N1 ZINC000192635675 357841705 /nfs/dbraw/zinc/84/17/05/357841705.db2.gz YWYPJJNDJSCBJX-LLVKDONJSA-N 0 3 223.276 0.070 20 0 BCADHN O=C1[N-]C(=O)[C@]2(CCC[N@@H+](CC3CC3)C2)N1 ZINC000192635675 357841709 /nfs/dbraw/zinc/84/17/09/357841709.db2.gz YWYPJJNDJSCBJX-LLVKDONJSA-N 0 3 223.276 0.070 20 0 BCADHN C[C@@H](O)CN(C)CCN1CCOC[C@@H]1C ZINC000192727807 357848831 /nfs/dbraw/zinc/84/88/31/357848831.db2.gz AHVQNVCFQKGQKQ-WDEREUQCSA-N 0 3 216.325 0.020 20 0 BCADHN C[C@@H](O)CN(C)CCN1CCOC[C@H]1C ZINC000192727796 357848845 /nfs/dbraw/zinc/84/88/45/357848845.db2.gz AHVQNVCFQKGQKQ-GHMZBOCLSA-N 0 3 216.325 0.020 20 0 BCADHN COCCNCC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000086157942 357861771 /nfs/dbraw/zinc/86/17/71/357861771.db2.gz MPXUPADPOOXHDP-GHMZBOCLSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@H](O)CN1CCCN(CC(F)F)CC1 ZINC000193001967 357864209 /nfs/dbraw/zinc/86/42/09/357864209.db2.gz PTDVRZRISGSXRH-VIFPVBQESA-N 0 3 222.279 0.640 20 0 BCADHN CC[C@@H](C)NC(=O)C(C)S(=O)(=O)CC ZINC000193278073 357871892 /nfs/dbraw/zinc/87/18/92/357871892.db2.gz CDNPHSQMJODVTQ-SFYZADRCSA-N 0 3 221.322 0.724 20 0 BCADHN CCOC(=O)CN(C)C[C@@H]1CCCN1C ZINC000086188986 357871973 /nfs/dbraw/zinc/87/19/73/357871973.db2.gz MLRYNJLBZALZMY-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)C(=O)[C@H](C)NC1CC1 ZINC000399038146 357895132 /nfs/dbraw/zinc/89/51/32/357895132.db2.gz SRECWSFVWBANCK-YNEJBJPTSA-N 0 3 246.376 0.352 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000399111259 357896251 /nfs/dbraw/zinc/89/62/51/357896251.db2.gz ZJKRGJBZCWXMOI-PSASIEDQSA-N 0 3 241.335 0.097 20 0 BCADHN N[C@H](C(=O)NCCc1ncc[nH]1)C1CCC1 ZINC000399042163 357895203 /nfs/dbraw/zinc/89/52/03/357895203.db2.gz QYYSIXVCXFZVPT-JTQLQIEISA-N 0 3 222.292 0.196 20 0 BCADHN CCN(CC(C)(C)O)[C@H](C)C(=O)NC1CC1 ZINC000086274809 357880095 /nfs/dbraw/zinc/88/00/95/357880095.db2.gz RJNHSCNWGKTLFL-SECBINFHSA-N 0 3 228.336 0.746 20 0 BCADHN CC[C@@H](O)CCCNC(=O)C1(N)CCC1 ZINC000398572126 357887305 /nfs/dbraw/zinc/88/73/05/357887305.db2.gz QABLWVJHJHUHLJ-SECBINFHSA-N 0 3 214.309 0.535 20 0 BCADHN C[C@@H](O)C[C@@H](C)CNC(=O)C1(N)CCC1 ZINC000398629389 357888934 /nfs/dbraw/zinc/88/89/34/357888934.db2.gz KTPIXXMXUBPELO-RKDXNWHRSA-N 0 3 214.309 0.391 20 0 BCADHN C[C@@H](CNC[C@H](O)C(F)(F)F)C[C@H](C)O ZINC000398680482 357889293 /nfs/dbraw/zinc/88/92/93/357889293.db2.gz MUTIWMKBGWDKLI-CSMHCCOUSA-N 0 3 229.242 0.906 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@H](N)C1CCC1 ZINC000398954395 357891497 /nfs/dbraw/zinc/89/14/97/357891497.db2.gz AZXMGGANKCQFPL-NXEZZACHSA-N 0 3 214.309 0.391 20 0 BCADHN N[C@@H](C(=O)NCc1cc[nH]n1)C1CCC1 ZINC000398973283 357891507 /nfs/dbraw/zinc/89/15/07/357891507.db2.gz AJJYHUAALRBQIE-SECBINFHSA-N 0 3 208.265 0.153 20 0 BCADHN N[C@H](C(=O)NCc1ccccn1)C1CCC1 ZINC000398989029 357892841 /nfs/dbraw/zinc/89/28/41/357892841.db2.gz KBHJSXWRGOMCHA-NSHDSACASA-N 0 3 219.288 0.825 20 0 BCADHN COCCNCC(=O)N1CCC[C@@H]1C(C)C ZINC000086158417 357863139 /nfs/dbraw/zinc/86/31/39/357863139.db2.gz DEIAKKYKONRQHE-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN COCCNCC(=O)NCc1scnc1C ZINC000086158280 357863221 /nfs/dbraw/zinc/86/32/21/357863221.db2.gz WZTFYGZVSWNGPW-UHFFFAOYSA-N 0 3 243.332 0.304 20 0 BCADHN COCCNCC(=O)N1CCC(C)(C)CC1 ZINC000086158255 357863539 /nfs/dbraw/zinc/86/35/39/357863539.db2.gz MQRIDWUZZAORIW-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@@H](N)C1CCC1 ZINC000399162270 357897238 /nfs/dbraw/zinc/89/72/38/357897238.db2.gz 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CC[C@@H](N)C(=O)Nc1ccc(CCO)cc1 ZINC000040739231 358246039 /nfs/dbraw/zinc/24/60/39/358246039.db2.gz LCLWCBULDPLNOH-LLVKDONJSA-N 0 3 222.288 0.897 20 0 BCADHN CC[C@@H](C)CN(C)CC(=O)NC(=O)NC1CC1 ZINC000171949951 134262926 /nfs/dbraw/zinc/26/29/26/134262926.db2.gz VCBAAWBYHXLENM-SECBINFHSA-N 0 3 241.335 0.953 20 0 BCADHN Cc1ccc(F)cc1S(=O)(=O)NC1CNC1 ZINC000085256272 134265094 /nfs/dbraw/zinc/26/50/94/134265094.db2.gz CWNUTTLUTRZFQE-UHFFFAOYSA-N 0 3 244.291 0.384 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCOCC2(CC2)C1 ZINC000450713164 202241174 /nfs/dbraw/zinc/24/11/74/202241174.db2.gz GUWINSJCVWAFOO-NSHDSACASA-N 0 3 227.304 0.439 20 0 BCADHN C[C@@H](O)CCN1CCCC[C@@]1(C)C(N)=O ZINC000450744047 202253667 /nfs/dbraw/zinc/25/36/67/202253667.db2.gz KNYHVIOWUKOZOH-KOLCDFICSA-N 0 3 214.309 0.487 20 0 BCADHN CCC[C@@H](O)CN[C@@]1(CC(=O)OC)CCOC1 ZINC000450774578 202258514 /nfs/dbraw/zinc/25/85/14/202258514.db2.gz OGXREZHASZFKNQ-ZYHUDNBSSA-N 0 3 245.319 0.459 20 0 BCADHN C[C@H](O)CCN1CC[C@H](C)C[C@@H]1C(N)=O ZINC000450774664 202262267 /nfs/dbraw/zinc/26/22/67/202262267.db2.gz DHPWFTVDDDIIHJ-LPEHRKFASA-N 0 3 214.309 0.343 20 0 BCADHN COc1ccc(F)cc1CNC(=O)CN ZINC000057496666 491128502 /nfs/dbraw/zinc/12/85/02/491128502.db2.gz DLIPOPGFZFLEBE-UHFFFAOYSA-N 0 3 212.224 0.409 20 0 BCADHN CN1CCC[C@@H]1CNC[C@@H](O)C(F)(F)F ZINC000226048134 358332681 /nfs/dbraw/zinc/33/26/81/358332681.db2.gz PTPVQXYKTKDDTJ-HTQZYQBOSA-N 0 3 226.242 0.593 20 0 BCADHN CC[C@@H](N)C(=O)NCc1c(C)noc1C ZINC000086110088 358335728 /nfs/dbraw/zinc/33/57/28/358335728.db2.gz WAQFORPOZROCJN-SECBINFHSA-N 0 3 211.265 0.645 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc(N(C)C)nc1 ZINC000227355022 358354103 /nfs/dbraw/zinc/35/41/03/358354103.db2.gz YFPSXYFXGNTCCF-VIFPVBQESA-N 0 3 238.291 0.060 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@@H]1C[C@@H](O)C1(C)C ZINC000226594612 358340789 /nfs/dbraw/zinc/34/07/89/358340789.db2.gz VHFMNGFDWMVZSQ-IVZWLZJFSA-N 0 3 228.336 0.650 20 0 BCADHN O=C(CNC1CC1)N[C@H]1c2ccccc2C[C@H]1O ZINC000226689106 358342897 /nfs/dbraw/zinc/34/28/97/358342897.db2.gz HIDOQJRWYPOIQY-OCCSQVGLSA-N 0 3 246.310 0.513 20 0 BCADHN COC[C@@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000229086395 358344982 /nfs/dbraw/zinc/34/49/82/358344982.db2.gz RTYPLPUQBAQPRJ-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)N1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000037616179 491128878 /nfs/dbraw/zinc/12/88/78/491128878.db2.gz SSIHGQMVGCQPBD-UHFFFAOYSA-N 0 3 239.363 0.811 20 0 BCADHN COc1ccc([O-])c(C(=O)N(C)CC[NH3+])c1 ZINC000043327690 358373228 /nfs/dbraw/zinc/37/32/28/358373228.db2.gz XGDCQHJXNAULCA-UHFFFAOYSA-N 0 3 224.260 0.432 20 0 BCADHN C[C@H]1CN(CCCN2CCOCC2)CCCO1 ZINC000173631850 134276151 /nfs/dbraw/zinc/27/61/51/134276151.db2.gz KCCWNXAKCQBQJB-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000043427593 358375227 /nfs/dbraw/zinc/37/52/27/358375227.db2.gz QPRBMIDRBFJURS-UTLUCORTSA-N 0 3 212.293 0.504 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cnc(N)cn2)CCN1C ZINC000228576986 358379924 /nfs/dbraw/zinc/37/99/24/358379924.db2.gz DNNDGLYEZVRPKF-DTWKUNHWSA-N 0 3 249.318 0.271 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000227398211 358355875 /nfs/dbraw/zinc/35/58/75/358355875.db2.gz RVXAFFGKHOLNCM-DCAQKATOSA-N 0 3 226.320 0.751 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H](C)C(C)(C)C ZINC000227404086 358356190 /nfs/dbraw/zinc/35/61/90/358356190.db2.gz RLPRLLFTALNTCH-HTQZYQBOSA-N 0 3 202.298 0.511 20 0 BCADHN CC1(CNCc2nnc3ccccn32)COC1 ZINC000227518717 358359719 /nfs/dbraw/zinc/35/97/19/358359719.db2.gz WUQJUANYKKZSAO-UHFFFAOYSA-N 0 3 232.287 0.855 20 0 BCADHN Cc1ccc([O-])c(CN(C)CCC[NH3+])n1 ZINC000227744177 358362799 /nfs/dbraw/zinc/36/27/99/358362799.db2.gz HIQHIIBITIQKTG-UHFFFAOYSA-N 0 3 209.293 0.876 20 0 BCADHN CC(C)(CCO)CNC[C@@H](O)C(F)(F)F ZINC000227949032 358366852 /nfs/dbraw/zinc/36/68/52/358366852.db2.gz NUXRRNOVEFHWJM-SSDOTTSWSA-N 0 3 229.242 0.908 20 0 BCADHN CNCCNS(=O)(=O)CCC(C)(C)C ZINC000227924957 358366877 /nfs/dbraw/zinc/36/68/77/358366877.db2.gz RRXRSGDTUTZTMG-UHFFFAOYSA-N 0 3 222.354 0.561 20 0 BCADHN C[C@@H](O)CNCc1ccc(S(C)(=O)=O)cc1 ZINC000044389575 358407440 /nfs/dbraw/zinc/40/74/40/358407440.db2.gz OLYOWPMNGVSDOZ-SECBINFHSA-N 0 3 243.328 0.561 20 0 BCADHN NC1(C(=O)NCC(F)(F)C(F)F)CCC1 ZINC000230694653 358410227 /nfs/dbraw/zinc/41/02/27/358410227.db2.gz IIZFZTAJOCAVHL-UHFFFAOYSA-N 0 3 228.189 0.884 20 0 BCADHN COC[C@H](O)CCN[C@@H](C)c1nccnc1C ZINC000219212467 134276504 /nfs/dbraw/zinc/27/65/04/134276504.db2.gz BGZRUNNNFFKVIL-GXSJLCMTSA-N 0 3 239.319 0.833 20 0 BCADHN COC[C@H](O)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000219275558 134276877 /nfs/dbraw/zinc/27/68/77/134276877.db2.gz IMKMDUVZXHDILX-OUAUKWLOSA-N 0 3 216.325 0.018 20 0 BCADHN C([C@@H]1CCCO1)N1CC[C@H](N2CCOCC2)C1 ZINC000173942112 134277131 /nfs/dbraw/zinc/27/71/31/134277131.db2.gz CKUVWJGKOXKAPN-STQMWFEESA-N 0 3 240.347 0.572 20 0 BCADHN C[C@@H](CNC(=O)c1cnc(N)cn1)N1CCCC1 ZINC000230112231 358393893 /nfs/dbraw/zinc/39/38/93/358393893.db2.gz HLPNUVSCDQFCRL-VIFPVBQESA-N 0 3 249.318 0.273 20 0 BCADHN Cn1cc(CNCC[C@H]2CCOC2)nn1 ZINC000230164092 358394765 /nfs/dbraw/zinc/39/47/65/358394765.db2.gz CQANYOIHRUIYMP-VIFPVBQESA-N 0 3 210.281 0.331 20 0 BCADHN CO[C@H]1CN(C(=O)[C@H](C)N)CC[C@H]1C ZINC000230242353 358395981 /nfs/dbraw/zinc/39/59/81/358395981.db2.gz WLICRZLGDIZXSU-VGMNWLOBSA-N 0 3 200.282 0.217 20 0 BCADHN CNC(=O)C(C)(C)CNC(=O)[C@@H]1CCCCN1 ZINC000230392762 358398851 /nfs/dbraw/zinc/39/88/51/358398851.db2.gz BUKSVRJVTRVLSR-VIFPVBQESA-N 0 3 241.335 0.017 20 0 BCADHN CCc1nn(C)cc1NC(=O)CNCC1CC1 ZINC000231085464 358414084 /nfs/dbraw/zinc/41/40/84/358414084.db2.gz SUODNMLSJRRYHW-UHFFFAOYSA-N 0 3 236.319 0.921 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N[C@H]2CCSC2)C1 ZINC000299967252 358421509 /nfs/dbraw/zinc/42/15/09/358421509.db2.gz IIZYXHMSIZMXKD-KXUCPTDWSA-N 0 3 228.361 0.996 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC1(C2CC2)CC1 ZINC000389338630 358421579 /nfs/dbraw/zinc/42/15/79/358421579.db2.gz XJTBVYRWTJOUMP-QMMMGPOBSA-N 0 3 217.334 0.952 20 0 BCADHN COCCNCC(=O)N[C@H]1CC=CCC1 ZINC000086158413 358426355 /nfs/dbraw/zinc/42/63/55/358426355.db2.gz LWTNGTRRFOKULH-JTQLQIEISA-N 0 3 212.293 0.447 20 0 BCADHN C[C@@H](NCCOCCN(C)C)c1nccn1C ZINC000219309984 134281463 /nfs/dbraw/zinc/28/14/63/134281463.db2.gz CSUIMAQEFVSOCX-LLVKDONJSA-N 0 3 240.351 0.649 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726823 358552810 /nfs/dbraw/zinc/55/28/10/358552810.db2.gz VIUWAHVYCOLJPD-ONGXEEELSA-N 0 3 225.336 0.467 20 0 BCADHN CCN1CCN([C@@H](C)CNC(=O)C2CC2)CC1 ZINC000046947274 358582750 /nfs/dbraw/zinc/58/27/50/358582750.db2.gz STNBWDFTSXWYGF-NSHDSACASA-N 0 3 239.363 0.539 20 0 BCADHN CCC[C@H](N)C(=O)N1CCCN(C(C)=O)CC1 ZINC000042681478 358528449 /nfs/dbraw/zinc/52/84/49/358528449.db2.gz DQEXEGYCVPYYBP-NSHDSACASA-N 0 3 241.335 0.195 20 0 BCADHN CCC(=O)N[C@H]1CCCN(CCC(=O)NC)C1 ZINC000130438441 358625802 /nfs/dbraw/zinc/62/58/02/358625802.db2.gz GCIFDDWJDRIMSA-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000130787020 358644344 /nfs/dbraw/zinc/64/43/44/358644344.db2.gz AIGBXZASCIFGNP-NWDGAFQWSA-N 0 3 233.315 0.863 20 0 BCADHN O=C(NCCNc1ccncc1)NCC(F)F ZINC000640198252 358639951 /nfs/dbraw/zinc/63/99/51/358639951.db2.gz JVMHXHQAOZULJW-UHFFFAOYSA-N 0 3 244.245 0.480 20 0 BCADHN CCCCN(C)CC(=O)NCCCOC ZINC000048614763 358645144 /nfs/dbraw/zinc/64/51/44/358645144.db2.gz KRNVPKGVUSELBB-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN C[C@H](CNCCCn1ccnc1)S(C)(=O)=O ZINC000567103648 358585532 /nfs/dbraw/zinc/58/55/32/358585532.db2.gz LBJXOPWLOOGZLF-SNVBAGLBSA-N 0 3 245.348 0.296 20 0 BCADHN COCC(=O)NCCCNCc1cccnc1 ZINC000048631734 358645882 /nfs/dbraw/zinc/64/58/82/358645882.db2.gz PQRRRHIYMPYLGU-UHFFFAOYSA-N 0 3 237.303 0.324 20 0 BCADHN C[C@@H](C[S@@](C)=O)N(C)C1CCN(C)CC1 ZINC000131000694 358657521 /nfs/dbraw/zinc/65/75/21/358657521.db2.gz VYSXLUYOSYKENK-BONVTDFDSA-N 0 3 232.393 0.779 20 0 BCADHN c1cc(CNC[C@H]2CN(C3CC3)CCO2)c[nH]1 ZINC000175707749 134286959 /nfs/dbraw/zinc/28/69/59/134286959.db2.gz OZMJYCHDMKQGHH-ZDUSSCGKSA-N 0 3 235.331 0.968 20 0 BCADHN CC(C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000049282647 358679848 /nfs/dbraw/zinc/67/98/48/358679848.db2.gz QFFQBLFYXJLXMW-MRVPVSSYSA-N 0 3 206.311 0.018 20 0 BCADHN CCCN(C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000049480442 358691236 /nfs/dbraw/zinc/69/12/36/358691236.db2.gz WDVWLAQBGFFUKB-QMMMGPOBSA-N 0 3 227.308 0.705 20 0 BCADHN COCCCN1CCCN(C(C)=O)CC1 ZINC000051154257 358744931 /nfs/dbraw/zinc/74/49/31/358744931.db2.gz YMSCCSNPTOMETE-UHFFFAOYSA-N 0 3 214.309 0.577 20 0 BCADHN C[C@H]1OCC[C@H]1C(=O)NCCN(C)C ZINC000133117618 358746226 /nfs/dbraw/zinc/74/62/26/358746226.db2.gz NCLBUGBBGFWXPM-RKDXNWHRSA-N 0 3 200.282 0.089 20 0 BCADHN COCCOCCCCNC(=O)[C@H](N)C(C)C ZINC000133280189 358749915 /nfs/dbraw/zinc/74/99/15/358749915.db2.gz VJUOZYQYPORZFH-LLVKDONJSA-N 0 3 246.351 0.529 20 0 BCADHN CC[C@@H](NC(=O)C(=O)NCCN)c1ccccc1 ZINC000051626135 358756656 /nfs/dbraw/zinc/75/66/56/358756656.db2.gz YMNNKLVPEZTUJO-LLVKDONJSA-N 0 3 249.314 0.329 20 0 BCADHN CC(C)[C@@H](O)CCN[C@@H]1CCCS(=O)(=O)C1 ZINC000132205206 358712992 /nfs/dbraw/zinc/71/29/92/358712992.db2.gz PWSXNHQJBZIVGD-MNOVXSKESA-N 0 3 249.376 0.560 20 0 BCADHN CCn1nccc1CNC[C@]1(OC)CCOC1 ZINC000132212905 358713169 /nfs/dbraw/zinc/71/31/69/358713169.db2.gz LRGSXHBDEXLBOB-GFCCVEGCSA-N 0 3 239.319 0.798 20 0 BCADHN OC1CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000050103603 358714642 /nfs/dbraw/zinc/71/46/42/358714642.db2.gz SNSDFZJTXRVTDA-GFCCVEGCSA-N 0 3 229.320 0.986 20 0 BCADHN CC(C)N(CCO)Cc1ccc(C(N)=O)cc1 ZINC000050103704 358716091 /nfs/dbraw/zinc/71/60/91/358716091.db2.gz QCAYLEWCTHNIQH-UHFFFAOYSA-N 0 3 236.315 0.988 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@@H]1CCC[C@H]1O)N(C)C ZINC000132420075 358723062 /nfs/dbraw/zinc/72/30/62/358723062.db2.gz NHMKTVGDHVUSRA-QJPTWQEYSA-N 0 3 242.363 0.850 20 0 BCADHN CCC1(CC)[C@@H](NCC(=O)NC)C[C@@H]1OC ZINC000132678979 358732943 /nfs/dbraw/zinc/73/29/43/358732943.db2.gz NSSAQRQLHFTBHB-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN C(COC[C@H]1CCOC1)NC1CSC1 ZINC000308512636 491136761 /nfs/dbraw/zinc/13/67/61/491136761.db2.gz LNAKANATAISTQC-VIFPVBQESA-N 0 3 217.334 0.745 20 0 BCADHN O[C@]1(CNCc2cn[nH]c2)CCSC1 ZINC000308530353 491136899 /nfs/dbraw/zinc/13/68/99/491136899.db2.gz ZHUFXHAMSJGSQG-VIFPVBQESA-N 0 3 213.306 0.367 20 0 BCADHN C[C@H](NC(=O)C(=O)NCCN)C1CCCCC1 ZINC000052332460 358778786 /nfs/dbraw/zinc/77/87/86/358778786.db2.gz MKWZJIXRFJTHOZ-VIFPVBQESA-N 0 3 241.335 0.146 20 0 BCADHN CCC[C@H](O)CNCc1cnc(N(C)C)n1C ZINC000134356482 358787949 /nfs/dbraw/zinc/78/79/49/358787949.db2.gz IWLVOEJRFWFQMF-NSHDSACASA-N 0 3 240.351 0.737 20 0 BCADHN Cc1cc(C)c(C(=O)NCCN(C)C)[nH]1 ZINC000134512728 358793807 /nfs/dbraw/zinc/79/38/07/358793807.db2.gz DOJHGDBKURTYKH-UHFFFAOYSA-N 0 3 209.293 0.923 20 0 BCADHN C[C@H](N[C@@H]1CCO[C@@H]1C)C(=O)N1CCCC1 ZINC000134547397 358795121 /nfs/dbraw/zinc/79/51/21/358795121.db2.gz WUDAMBCRVOKBQL-HBNTYKKESA-N 0 3 226.320 0.764 20 0 BCADHN CS[C@@H]1CCCCN(CC(=O)NC(N)=O)C1 ZINC000134563272 358795658 /nfs/dbraw/zinc/79/56/58/358795658.db2.gz CECKDTCPZWLAJZ-MRVPVSSYSA-N 0 3 245.348 0.399 20 0 BCADHN CC(C)OC1CC(N[C@H](C)C(N)=O)C1 ZINC000308494042 491136593 /nfs/dbraw/zinc/13/65/93/491136593.db2.gz BAZHRVFUWMEMJC-AFPNSQJFSA-N 0 3 200.282 0.406 20 0 BCADHN CCn1nc(C)c(CNC(=O)[C@@H]2C[C@@H]2N)c1C ZINC000578314311 366496370 /nfs/dbraw/zinc/49/63/70/366496370.db2.gz KDOKMQZUKUPKAC-KOLCDFICSA-N 0 3 236.319 0.483 20 0 BCADHN C[C@@H](CO)N(C)Cc1cc(=O)n2ccccc2n1 ZINC000135505014 358841176 /nfs/dbraw/zinc/84/11/76/358841176.db2.gz ABEYJPJENDJMDS-JTQLQIEISA-N 0 3 247.298 0.507 20 0 BCADHN COCCN1CCS[C@@H]2COCC[C@@H]21 ZINC000135531174 358843234 /nfs/dbraw/zinc/84/32/34/358843234.db2.gz ZKGGEIRDUWVQFE-VHSXEESVSA-N 0 3 217.334 0.839 20 0 BCADHN CN(CCO)[C@H]1CCCc2c1cnn2C ZINC000135572700 358845657 /nfs/dbraw/zinc/84/56/57/358845657.db2.gz MEWOJUHTOLLJRK-JTQLQIEISA-N 0 3 209.293 0.722 20 0 BCADHN COCCN1CCN(CCOC(C)C)CC1 ZINC000054187857 358855933 /nfs/dbraw/zinc/85/59/33/358855933.db2.gz MARHMMIMVDHOCH-UHFFFAOYSA-N 0 3 230.352 0.675 20 0 BCADHN CCCCNC(=O)C(C)S(=O)(=O)CC ZINC000058611295 358912332 /nfs/dbraw/zinc/91/23/32/358912332.db2.gz NMWSZSOZFVXTIN-MRVPVSSYSA-N 0 3 221.322 0.726 20 0 BCADHN Cn1cnc(N2CCN(CC3CC3)CC2)cc1=O ZINC000564099736 358874629 /nfs/dbraw/zinc/87/46/29/358874629.db2.gz NPGJJDZMGHYPQQ-UHFFFAOYSA-N 0 3 248.330 0.312 20 0 BCADHN Cn1cc(CNC2CCN(C3CC3)CC2)nn1 ZINC000054860325 358877590 /nfs/dbraw/zinc/87/75/90/358877590.db2.gz CWHLMINGAVQUTA-UHFFFAOYSA-N 0 3 235.335 0.532 20 0 BCADHN NC(=O)C[C@H]1CN(C[C@@H]2CC=CCC2)CCO1 ZINC000628474764 358878235 /nfs/dbraw/zinc/87/82/35/358878235.db2.gz OZQGXLCBCVONQK-NEPJUHHUSA-N 0 3 238.331 0.919 20 0 BCADHN OCCN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000177456936 134298052 /nfs/dbraw/zinc/29/80/52/134298052.db2.gz CNHATLWYYUXQGQ-LBPRGKRZSA-N 0 3 229.320 0.639 20 0 BCADHN CC(C)NC(=O)CN1CCCN(C2CC2)CC1 ZINC000061041544 358931271 /nfs/dbraw/zinc/93/12/71/358931271.db2.gz JZMRIKSGHYRGCW-UHFFFAOYSA-N 0 3 239.363 0.681 20 0 BCADHN COC(=O)[C@]1(C)CCN([C@H](C)C(=O)N(C)C)C1 ZINC000177570185 134300309 /nfs/dbraw/zinc/30/03/09/134300309.db2.gz OWKMEPWZYZPAQP-BXKDBHETSA-N 0 3 242.319 0.348 20 0 BCADHN COCCOCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000069578594 359029910 /nfs/dbraw/zinc/02/99/10/359029910.db2.gz OPCDYSFRFSYKGN-JTQLQIEISA-N 0 3 244.335 0.248 20 0 BCADHN CCNC(=O)CN[C@@H]1CCO[C@H](C(C)C)C1 ZINC000069861744 359035939 /nfs/dbraw/zinc/03/59/39/359035939.db2.gz LFQNRICYLWUPBB-MNOVXSKESA-N 0 3 228.336 0.916 20 0 BCADHN C[C@H](CC[NH+](C)C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948870 359037162 /nfs/dbraw/zinc/03/71/62/359037162.db2.gz ASFVOVCQLQPBBL-MRVPVSSYSA-N 0 3 246.336 0.028 20 0 BCADHN CCN(CCNS(=O)(=O)CC)CC1CC1 ZINC000070014925 359039088 /nfs/dbraw/zinc/03/90/88/359039088.db2.gz AJFXURHDQBQBKS-UHFFFAOYSA-N 0 3 234.365 0.658 20 0 BCADHN CN(C)c1ncc(CNC[C@H]2CCCO2)n1C ZINC000070142679 359043652 /nfs/dbraw/zinc/04/36/52/359043652.db2.gz VPCOSVDHYUDXMY-LLVKDONJSA-N 0 3 238.335 0.755 20 0 BCADHN CC(C)N1C[C@@H](NC2CSC2)CC1=O ZINC000306187915 359004475 /nfs/dbraw/zinc/00/44/75/359004475.db2.gz BFOFILNJICGOIX-QMMMGPOBSA-N 0 3 214.334 0.701 20 0 BCADHN CCOCCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000347910656 535445269 /nfs/dbraw/zinc/44/52/69/535445269.db2.gz CWVAJAPSVDCHEK-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN Cn1nccc1CNC[C@@H](O)COCC1CC1 ZINC000071139039 359072261 /nfs/dbraw/zinc/07/22/61/359072261.db2.gz NJLPOZHWAVLNNU-GFCCVEGCSA-N 0 3 239.319 0.297 20 0 BCADHN CNC(=O)CCNCc1cnn2ccccc12 ZINC000071373394 359078255 /nfs/dbraw/zinc/07/82/55/359078255.db2.gz RTIFAOLGWZZOPD-UHFFFAOYSA-N 0 3 232.287 0.560 20 0 BCADHN COC[C@H](C)N1CCCN(C(C)=O)CC1 ZINC000072558453 359086723 /nfs/dbraw/zinc/08/67/23/359086723.db2.gz GEWNGQZDDUXEED-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CCN(CC)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000072862067 359090513 /nfs/dbraw/zinc/09/05/13/359090513.db2.gz IUBCOGFKDITOOA-SECBINFHSA-N 0 3 229.324 0.951 20 0 BCADHN 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CCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000075665396 359188922 /nfs/dbraw/zinc/18/89/22/359188922.db2.gz LVZPDBWRRPJZHF-GHMZBOCLSA-N 0 3 241.335 0.559 20 0 BCADHN COC(=O)[C@@]1(C)CCN([C@@H](C)C(=O)N(C)C)C1 ZINC000246514010 359141278 /nfs/dbraw/zinc/14/12/78/359141278.db2.gz OWKMEPWZYZPAQP-CABZTGNLSA-N 0 3 242.319 0.348 20 0 BCADHN CC(C)OCCOC[C@@H](O)CN(C)C[C@H](C)O ZINC000246617722 359152605 /nfs/dbraw/zinc/15/26/05/359152605.db2.gz HAOATUHPEXVWON-RYUDHWBXSA-N 0 3 249.351 0.102 20 0 BCADHN COCCC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000246685973 359156978 /nfs/dbraw/zinc/15/69/78/359156978.db2.gz MRPARRWHLVQJQW-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CCOC[C@H](O)CN(CC)C[C@H]1CCCO1 ZINC000247655519 359238600 /nfs/dbraw/zinc/23/86/00/359238600.db2.gz YFJVJZOKFAUSNY-VXGBXAGGSA-N 0 3 231.336 0.885 20 0 BCADHN CCOCCN1CCN(CC(C)(C)O)C[C@H]1C ZINC000247168901 359199334 /nfs/dbraw/zinc/19/93/34/359199334.db2.gz MSXQZGJQWBCLAA-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN O=C1OCC[C@@H]1N1CCCN(C2CC2)CC1 ZINC000247207419 359202411 /nfs/dbraw/zinc/20/24/11/359202411.db2.gz WSVCCKGRVSCFOE-NSHDSACASA-N 0 3 224.304 0.472 20 0 BCADHN COCCC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000247307333 359211211 /nfs/dbraw/zinc/21/12/11/359211211.db2.gz HFTXKMZKRVGAPN-GHMZBOCLSA-N 0 3 228.336 0.822 20 0 BCADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc[nH]n1 ZINC000247453981 359222513 /nfs/dbraw/zinc/22/25/13/359222513.db2.gz QLDPUCHLPNIASK-GXSJLCMTSA-N 0 3 236.319 0.822 20 0 BCADHN CO[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CCO1 ZINC000613808919 363645414 /nfs/dbraw/zinc/64/54/14/363645414.db2.gz AYUAESSWLRYOSD-JQWIXIFHSA-N 0 3 242.319 0.160 20 0 BCADHN COC[C@H](OC)C(=O)NCC1(N(C)C)CCC1 ZINC000613795595 363641623 /nfs/dbraw/zinc/64/16/23/363641623.db2.gz FSRWXYOEARGJNF-JTQLQIEISA-N 0 3 244.335 0.248 20 0 BCADHN Cc1nnc(CN2CCN3CCCC[C@H]3C2)n1C ZINC000248345119 359267270 /nfs/dbraw/zinc/26/72/70/359267270.db2.gz MKEZFWVHWCUKHA-LBPRGKRZSA-N 0 3 249.362 0.794 20 0 BCADHN 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ZINC000580423109 359536326 /nfs/dbraw/zinc/53/63/26/359536326.db2.gz DXWJIRGDOFCVDX-UHFFFAOYSA-N 0 3 237.303 0.834 20 0 BCADHN COC(=O)CC1(NC[C@H](O)CSC)CC1 ZINC000580436330 359554808 /nfs/dbraw/zinc/55/48/08/359554808.db2.gz SYSZDPMDGVGCIL-QMMMGPOBSA-N 0 3 233.333 0.396 20 0 BCADHN CNC(=O)C(C)(C)CNCC1(F)CC1 ZINC000379609815 359566826 /nfs/dbraw/zinc/56/68/26/359566826.db2.gz SMGXKXPSQVVYNP-UHFFFAOYSA-N 0 3 202.273 0.850 20 0 BCADHN CO[C@@H](C)CCNC[C@H](O)C(F)(F)F ZINC000379647309 359572835 /nfs/dbraw/zinc/57/28/35/359572835.db2.gz ZKGXDCGIAWWMCT-BQBZGAKWSA-N 0 3 215.215 0.924 20 0 BCADHN CCN1CCCN(C[C@H](C)COC)CC1=O ZINC000191544632 359573846 /nfs/dbraw/zinc/57/38/46/359573846.db2.gz OOZIOMAPACQBMN-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN CC[C@@H](CO)NC[C@](C)(O)C(F)(F)F ZINC000379655854 359577061 /nfs/dbraw/zinc/57/70/61/359577061.db2.gz KKUBENNSPSLZMD-BQBZGAKWSA-N 0 3 215.215 0.660 20 0 BCADHN CN(C)c1ncc(NC(=O)[C@H](N)C2CCC2)cn1 ZINC000423843698 192839305 /nfs/dbraw/zinc/83/93/05/192839305.db2.gz IGJGOFPUPATPHJ-SNVBAGLBSA-N 0 3 249.318 0.609 20 0 BCADHN COCCCN(C)CCNC(=O)[C@@H]1C[C@@H]1C ZINC000152538568 359614228 /nfs/dbraw/zinc/61/42/28/359614228.db2.gz LYCZWHNIUQKDGW-WDEREUQCSA-N 0 3 228.336 0.727 20 0 BCADHN CN1CCN(C(=O)CCC2CC2)[C@@H](CN)C1 ZINC000400792636 359605123 /nfs/dbraw/zinc/60/51/23/359605123.db2.gz ACQAIVUQMSUWPZ-NSHDSACASA-N 0 3 225.336 0.278 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)[C@@H](C)OC ZINC000423920045 192846261 /nfs/dbraw/zinc/84/62/61/192846261.db2.gz FZWLUXRUYMTJBK-RGOKHQFPSA-N 0 3 216.325 0.899 20 0 BCADHN CCC[C@@H](N)C(=O)N1C[C@@H](OC)C[C@H]1COC ZINC000423924447 192846972 /nfs/dbraw/zinc/84/69/72/192846972.db2.gz AAYNIWAIOPDDGF-GARJFASQSA-N 0 3 244.335 0.376 20 0 BCADHN O=C(COC1CNC1)N(CC(F)F)C1CC1 ZINC000430502358 192874302 /nfs/dbraw/zinc/87/43/02/192874302.db2.gz JBBKHCLOGLBYTM-UHFFFAOYSA-N 0 3 234.246 0.231 20 0 BCADHN C[C@H](CCCCO)NCc1ncnn1C ZINC000309016072 491142419 /nfs/dbraw/zinc/14/24/19/491142419.db2.gz UOCPQYKNHMXDIP-SECBINFHSA-N 0 3 212.297 0.456 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H](O)C2CC2)CN1C1CC1 ZINC000612107725 359654788 /nfs/dbraw/zinc/65/47/88/359654788.db2.gz UXUWUWLGTVREMV-HLUHBDAQSA-N 0 3 238.331 0.499 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@H](O)C2CCC2)CCCN1C ZINC000450785858 202266369 /nfs/dbraw/zinc/26/63/69/202266369.db2.gz BCSHUDCHPVCZLD-YUSALJHKSA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@H](O)CC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000450797201 202267425 /nfs/dbraw/zinc/26/74/25/202267425.db2.gz QDDGAUAUQBBNIF-VWYCJHECSA-N 0 3 228.336 0.746 20 0 BCADHN Cc1ncc(CNCCN2CC[C@H](O)C2)o1 ZINC000628498872 359716957 /nfs/dbraw/zinc/71/69/57/359716957.db2.gz XVTUFBCANORLLX-JTQLQIEISA-N 0 3 225.292 0.139 20 0 BCADHN CN1CC[C@@H]2CN(c3ncccn3)C[C@@H]21 ZINC000450793349 202269147 /nfs/dbraw/zinc/26/91/47/202269147.db2.gz ORSVSOSWLJWYKI-ZJUUUORDSA-N 0 3 204.277 0.617 20 0 BCADHN C[C@H](O)CCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000450828144 202277017 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20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)NCCOCCN(C)C ZINC000438307459 201399882 /nfs/dbraw/zinc/39/98/82/201399882.db2.gz SJITUFPXSRLALX-GHMZBOCLSA-N 0 3 243.351 0.662 20 0 BCADHN NCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000037818743 181350347 /nfs/dbraw/zinc/35/03/47/181350347.db2.gz JKYKTBWLZCMWPS-LLVKDONJSA-N 0 3 238.262 0.684 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1nn(C)cc1Cl ZINC000627245566 363849342 /nfs/dbraw/zinc/84/93/42/363849342.db2.gz HMZFSMMBBDMVPX-ZETCQYMHSA-N 0 3 244.726 0.753 20 0 BCADHN O=C(CC1CC1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000627255354 363885305 /nfs/dbraw/zinc/88/53/05/363885305.db2.gz QZXALDIAAOILEP-NWDGAFQWSA-N 0 3 238.331 0.454 20 0 BCADHN CSC[C@H](O)CN1CC[C@H](n2cncn2)C1 ZINC000614575698 363890079 /nfs/dbraw/zinc/89/00/79/363890079.db2.gz JWGOHMCRGVRXIE-VHSXEESVSA-N 0 3 242.348 0.249 20 0 BCADHN NCC(=O)NC[C@@H]1CC12CCSCC2 ZINC000335632114 181351263 /nfs/dbraw/zinc/35/12/63/181351263.db2.gz RRWMNRRVDSTFNL-QMMMGPOBSA-N 0 3 214.334 0.595 20 0 BCADHN NCC(=O)NCCCNc1ccccc1 ZINC000263281836 181351873 /nfs/dbraw/zinc/35/18/73/181351873.db2.gz SCDPZCHJHDGEBU-UHFFFAOYSA-N 0 3 207.277 0.564 20 0 BCADHN NCC(=O)NCCc1ccc(Cl)cc1 ZINC000011957024 181352339 /nfs/dbraw/zinc/35/23/39/181352339.db2.gz IWFDDQYTGMYLGM-UHFFFAOYSA-N 0 3 212.680 0.957 20 0 BCADHN CC(C)(O)CCN(CC(N)=O)C1CCCC1 ZINC000674231322 487527809 /nfs/dbraw/zinc/52/78/09/487527809.db2.gz NMPUYGCFYIRJKU-UHFFFAOYSA-N 0 3 228.336 0.877 20 0 BCADHN C[C@@H]1C[C@@H](C)N(S(=O)(=O)CCCN(C)C)C1 ZINC000632019536 363923664 /nfs/dbraw/zinc/92/36/64/363923664.db2.gz YJYKRWZIRYULHM-GHMZBOCLSA-N 0 3 248.392 0.998 20 0 BCADHN NCC(=O)NCCOc1cccc(Cl)c1 ZINC000041250372 181352073 /nfs/dbraw/zinc/35/20/73/181352073.db2.gz DUGGUNHUWZMERB-UHFFFAOYSA-N 0 3 228.679 0.794 20 0 BCADHN CC[C@H](C)[C@H](OC)C(=O)N[C@@H](CO)CN(C)C ZINC000614845602 363992835 /nfs/dbraw/zinc/99/28/35/363992835.db2.gz CQBHJBSWXVUWNM-AXFHLTTASA-N 0 3 246.351 0.086 20 0 BCADHN NCC(=O)NCc1ccc(OC(F)F)cc1 ZINC000040421906 181353216 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367071641 /nfs/dbraw/zinc/07/16/41/367071641.db2.gz GPBKSDAJMVFUDP-HWPZZCPQSA-N 0 3 248.392 0.554 20 0 BCADHN CCC[C@H](C)[C@@H](CO)NCC(=O)NC1CC1 ZINC000579957488 367102289 /nfs/dbraw/zinc/10/22/89/367102289.db2.gz CJVUYNLCSSVTHV-GXSJLCMTSA-N 0 3 228.336 0.652 20 0 BCADHN CN1CCC(NC(=O)c2cc3n(n2)CCC3)CC1 ZINC000622285665 370823174 /nfs/dbraw/zinc/82/31/74/370823174.db2.gz YIYAGYFPGILDLF-UHFFFAOYSA-N 0 3 248.330 0.653 20 0 BCADHN CO[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000580968307 367222088 /nfs/dbraw/zinc/22/20/88/367222088.db2.gz LAMLIRWTJDZPRQ-GARJFASQSA-N 0 3 226.320 0.716 20 0 BCADHN CCc1nnc(C2CCN(C(=O)CN)CC2)[nH]1 ZINC000581132407 367271798 /nfs/dbraw/zinc/27/17/98/367271798.db2.gz OXTOVBNVDRVQKI-UHFFFAOYSA-N 0 3 237.307 0.032 20 0 BCADHN C[C@@H](N(C)C(=O)COC1CNC1)C(C)(C)C ZINC000581130732 367272180 /nfs/dbraw/zinc/27/21/80/367272180.db2.gz XWILSCYUKQNUFO-SECBINFHSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H](CNCCC(=O)NC(N)=O)C(F)(F)F ZINC000581068105 367251408 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C[C@@H](O)CN1CCC[C@@H](N2CCOCC2)C1 ZINC000382714929 367554515 /nfs/dbraw/zinc/55/45/15/367554515.db2.gz GCLSNAPQRZMRJO-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN Cn1cc(CN[C@@H]2CC[C@H]2O)c(C(F)F)n1 ZINC000382427065 367520439 /nfs/dbraw/zinc/52/04/39/367520439.db2.gz YPPSRMBUVUNBJE-HTQZYQBOSA-N 0 3 231.246 0.971 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCc1ccncc1 ZINC000382933842 367570277 /nfs/dbraw/zinc/57/02/77/367570277.db2.gz GPBWDCAPEHPYKT-SECBINFHSA-N 0 3 219.288 0.838 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCCN1CCCCC1 ZINC000382947324 367571587 /nfs/dbraw/zinc/57/15/87/367571587.db2.gz KPAKLNWEHBMMIA-NSHDSACASA-N 0 3 239.363 0.729 20 0 BCADHN C[C@H](NC1CC1)C(=O)Nc1cnn(C)c1 ZINC000382939885 367571983 /nfs/dbraw/zinc/57/19/83/367571983.db2.gz IINASPWBCWPUSE-ZETCQYMHSA-N 0 3 208.265 0.499 20 0 BCADHN CC[C@H](COC)NC(=O)[C@@H](C)NC1CC1 ZINC000382952257 367572051 /nfs/dbraw/zinc/57/20/51/367572051.db2.gz LZSKMSCQJNNKBC-RKDXNWHRSA-N 0 3 214.309 0.668 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@@H](C)NC1CC1 ZINC000382978609 367578449 /nfs/dbraw/zinc/57/84/49/367578449.db2.gz TWCZTFLPFFLQCV-SECBINFHSA-N 0 3 241.335 0.159 20 0 BCADHN C[C@H](NC1CC1)C(=O)Nc1ccc2nncn2c1 ZINC000581549524 367579038 /nfs/dbraw/zinc/57/90/38/367579038.db2.gz YGUVLSSIYPCPRY-QMMMGPOBSA-N 0 3 245.286 0.808 20 0 BCADHN CCOC(=O)CCCNC(=O)[C@H](C)NC1CC1 ZINC000382981048 367579742 /nfs/dbraw/zinc/57/97/42/367579742.db2.gz UJPBZSROLZFTIL-VIFPVBQESA-N 0 3 242.319 0.586 20 0 BCADHN CC[C@H](NC(=O)[C@H](C)NC1CC1)C(=O)OC ZINC000382981865 367580622 /nfs/dbraw/zinc/58/06/22/367580622.db2.gz UOEUOLMEERUFBE-CBAPKCEASA-N 0 3 228.292 0.195 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)NC1CC1)c1cn[nH]c1 ZINC000382986871 367581252 /nfs/dbraw/zinc/58/12/52/367581252.db2.gz WIKSQNZHJHOMQB-SFYZADRCSA-N 0 3 222.292 0.727 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NC[C@H]1CCCCO1 ZINC000382986434 367581563 /nfs/dbraw/zinc/58/15/63/367581563.db2.gz WDWREJBWENSHDN-MWLCHTKSSA-N 0 3 226.320 0.812 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000383022022 367587109 /nfs/dbraw/zinc/58/71/09/367587109.db2.gz DZVNWPLNYKHKAK-MVWJERBFSA-N 0 3 238.331 0.907 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCc1ccnn1C ZINC000382992047 367582949 /nfs/dbraw/zinc/58/29/49/367582949.db2.gz YSVWALLESDQRPP-QMMMGPOBSA-N 0 3 222.292 0.177 20 0 BCADHN CO[C@H](C)CNC(=O)[C@H](C)NC1CC1 ZINC000382998173 367583165 /nfs/dbraw/zinc/58/31/65/367583165.db2.gz BDRJJIULNSLZFK-SFYZADRCSA-N 0 3 200.282 0.278 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@H]1CCSC1 ZINC000383021408 367586852 /nfs/dbraw/zinc/58/68/52/367586852.db2.gz GMBCQKPWXMSCBP-APPZFPTMSA-N 0 3 214.334 0.749 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000382957958 367574091 /nfs/dbraw/zinc/57/40/91/367574091.db2.gz NPBHWLANKDFPDF-GXSJLCMTSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@@H]1COCCN1C(=O)[C@H](C)NC1CC1 ZINC000382963946 367575186 /nfs/dbraw/zinc/57/51/86/367575186.db2.gz PNFJXTZZZSYFKL-GXSJLCMTSA-N 0 3 226.320 0.764 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000382974678 367576572 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CC[C@H](C(=O)N1CCC[C@@H]1[C@@H](C)O)N(C)C ZINC000618920547 368016150 /nfs/dbraw/zinc/01/61/50/368016150.db2.gz CZEYNPXOCKNZEN-GMTAPVOTSA-N 0 3 228.336 0.698 20 0 BCADHN CN1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]cn1)C2 ZINC000615618536 368123739 /nfs/dbraw/zinc/12/37/39/368123739.db2.gz IROFLCQQQKSSDK-CYBMUJFWSA-N 0 3 248.330 0.968 20 0 BCADHN CN[C@@H](CC(C)(C)C)C(=O)NC(C)(C)C(N)=O ZINC000387423922 368178761 /nfs/dbraw/zinc/17/87/61/368178761.db2.gz GRVDLQNOTQNLBL-QMMMGPOBSA-N 0 3 243.351 0.391 20 0 BCADHN CN[C@H](CC(C)(C)C)C(=O)NC(C)(C)C(N)=O ZINC000387423921 368179029 /nfs/dbraw/zinc/17/90/29/368179029.db2.gz GRVDLQNOTQNLBL-MRVPVSSYSA-N 0 3 243.351 0.391 20 0 BCADHN CC(C)OCCN(C)[C@H]1CCC(=O)N(C)C1 ZINC000566425186 326044431 /nfs/dbraw/zinc/04/44/31/326044431.db2.gz AZRRDKUSJWIEBG-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN CCC[C@H](C)N(C)CC(=O)NC(N)=O ZINC000030269648 368246142 /nfs/dbraw/zinc/24/61/42/368246142.db2.gz RDKSBPPSEVUXOH-ZETCQYMHSA-N 0 3 201.270 0.302 20 0 BCADHN 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RNJWGMGIIKSVNK-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN CC[C@@H]1CN(C(=O)c2cnco2)C[C@H](C)N1 ZINC000620902243 370049847 /nfs/dbraw/zinc/04/98/47/370049847.db2.gz OVPKQSCIGMRHAI-DTWKUNHWSA-N 0 3 223.276 0.887 20 0 BCADHN CC[C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H](C)N1 ZINC000620904095 370051145 /nfs/dbraw/zinc/05/11/45/370051145.db2.gz AYVYQPMWGBSFAX-VHSXEESVSA-N 0 3 236.319 0.931 20 0 BCADHN CC[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H](C)N1 ZINC000620904095 370051148 /nfs/dbraw/zinc/05/11/48/370051148.db2.gz AYVYQPMWGBSFAX-VHSXEESVSA-N 0 3 236.319 0.931 20 0 BCADHN CN1CCC[C@@H](NC(=O)c2cncc(O)c2)C1 ZINC000111739144 370174157 /nfs/dbraw/zinc/17/41/57/370174157.db2.gz UBBJNMKFMZBIIS-SNVBAGLBSA-N 0 3 235.287 0.611 20 0 BCADHN Cn1cncc1CCCN1CC(C)(C(N)=O)C1 ZINC000568182259 326322285 /nfs/dbraw/zinc/32/22/85/326322285.db2.gz JZDSSTWOPSQCHJ-UHFFFAOYSA-N 0 3 236.319 0.160 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2cnn(C)c2)CCN1 ZINC000621150135 370122224 /nfs/dbraw/zinc/12/22/24/370122224.db2.gz XPXISVRYTVZKEC-NSHDSACASA-N 0 3 236.319 0.490 20 0 BCADHN CCOCC(=O)N1CCN[C@H](C(C)C)C1 ZINC000621147989 370122763 /nfs/dbraw/zinc/12/27/63/370122763.db2.gz DZFHSGMTHLUBMK-JTQLQIEISA-N 0 3 214.309 0.479 20 0 BCADHN CCO[C@H](C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621150274 370123167 /nfs/dbraw/zinc/12/31/67/370123167.db2.gz APEYURQDDBKTFF-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2cnns2)CCN1 ZINC000621151525 370123986 /nfs/dbraw/zinc/12/39/86/370123986.db2.gz COUCYSKCDIJLKD-MRVPVSSYSA-N 0 3 240.332 0.608 20 0 BCADHN CC[C@@H](OC)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621152042 370123999 /nfs/dbraw/zinc/12/39/99/370123999.db2.gz NSEWNQXTDMRNML-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2cc[nH]n2)CCN1 ZINC000621150944 370124703 /nfs/dbraw/zinc/12/47/03/370124703.db2.gz PWIDJXPFTNZRFT-SNVBAGLBSA-N 0 3 222.292 0.480 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2ccn[nH]2)CCN1 ZINC000621150944 370124706 /nfs/dbraw/zinc/12/47/06/370124706.db2.gz PWIDJXPFTNZRFT-SNVBAGLBSA-N 0 3 222.292 0.480 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2ccnn2C)CCN1 ZINC000621151927 370124762 /nfs/dbraw/zinc/12/47/62/370124762.db2.gz KXOBLHOGPXQIGD-SNVBAGLBSA-N 0 3 236.319 0.490 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@H]2CCCN2C)CCN1 ZINC000621152891 370125857 /nfs/dbraw/zinc/12/58/57/370125857.db2.gz GZOMLWGFISPBMJ-NWDGAFQWSA-N 0 3 239.363 0.537 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@H]2CCCN2C)CCN1 ZINC000621152890 370126124 /nfs/dbraw/zinc/12/61/24/370126124.db2.gz GZOMLWGFISPBMJ-NEPJUHHUSA-N 0 3 239.363 0.537 20 0 BCADHN Cc1nc(C(=O)N2CCN[C@@H](C(C)C)C2)c[nH]1 ZINC000621153056 370126190 /nfs/dbraw/zinc/12/61/90/370126190.db2.gz JXYRJVXICZGDDU-LLVKDONJSA-N 0 3 236.319 0.788 20 0 BCADHN COCC1(C(=O)N2CCN[C@@H](C(C)C)C2)CC1 ZINC000621156550 370128322 /nfs/dbraw/zinc/12/83/22/370128322.db2.gz CBHBKTQWIFUJGI-LLVKDONJSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)[C@H]1CN(C(=O)C2(C)COC2)CCN1 ZINC000621156603 370128651 /nfs/dbraw/zinc/12/86/51/370128651.db2.gz DANGFLUSDDZHEJ-SNVBAGLBSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NC[C@H]2CCCOC2)C1 ZINC000253148779 370150968 /nfs/dbraw/zinc/15/09/68/370150968.db2.gz BEPMIZBWBBLVRC-UTUOFQBUSA-N 0 3 240.347 0.917 20 0 BCADHN CC(C(=O)N1CC2CC1(C)C2)S(C)(=O)=O ZINC000621211966 370153711 /nfs/dbraw/zinc/15/37/11/370153711.db2.gz ZGGJTWZPEFNQGF-ZNFPMYQNSA-N 0 3 231.317 0.430 20 0 BCADHN CN(C)C1CN(c2nccc3nccnc32)C1 ZINC000621284936 370214923 /nfs/dbraw/zinc/21/49/23/370214923.db2.gz HWTKHNYNKUKSOV-UHFFFAOYSA-N 0 3 229.287 0.775 20 0 BCADHN CNS(=O)(=O)CCN1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000621285838 370215175 /nfs/dbraw/zinc/21/51/75/370215175.db2.gz NFEFMRGMJLNNGM-GMTAPVOTSA-N 0 3 248.392 0.902 20 0 BCADHN NC(=O)C[C@@H]1CCN(CCc2cscn2)C1 ZINC000621295678 370221836 /nfs/dbraw/zinc/22/18/36/370221836.db2.gz SOIMGTAFMWTLHX-VIFPVBQESA-N 0 3 239.344 0.883 20 0 BCADHN CCN(C)CCNC(=O)C(CC)(CC)CO ZINC000568200196 326325472 /nfs/dbraw/zinc/32/54/72/326325472.db2.gz RPDIHORMQHNZCK-UHFFFAOYSA-N 0 3 230.352 0.853 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1Cc1ccnc(C)c1 ZINC000621312294 370237600 /nfs/dbraw/zinc/23/76/00/370237600.db2.gz PJSQPUUXDFEDLY-CHWSQXEVSA-N 0 3 236.315 0.972 20 0 BCADHN CNC(=O)CCN(C)Cc1ccnc(C)c1 ZINC000621254014 370187163 /nfs/dbraw/zinc/18/71/63/370187163.db2.gz DKXBQMULDQMYJA-UHFFFAOYSA-N 0 3 221.304 0.958 20 0 BCADHN CNS(=O)(=O)CCN1CCCC1(C)C ZINC000621254853 370188736 /nfs/dbraw/zinc/18/87/36/370188736.db2.gz MXWNJSDWXUJNGD-UHFFFAOYSA-N 0 3 220.338 0.410 20 0 BCADHN CCN(CCS(=O)(=O)NC)CC1CC1 ZINC000621257420 370189373 /nfs/dbraw/zinc/18/93/73/370189373.db2.gz VTGPLJRKHSDLRJ-UHFFFAOYSA-N 0 3 220.338 0.268 20 0 BCADHN CNS(=O)(=O)CCN1[C@@H](C)CCC[C@@H]1C ZINC000621257256 370189411 /nfs/dbraw/zinc/18/94/11/370189411.db2.gz NRQJUWWWXHJJJZ-UWVGGRQHSA-N 0 3 234.365 0.799 20 0 BCADHN CC[C@@H](C)CN(C)CCS(=O)(=O)NC ZINC000621257394 370190075 /nfs/dbraw/zinc/19/00/75/370190075.db2.gz UZZDKECUYCPDLL-SECBINFHSA-N 0 3 222.354 0.514 20 0 BCADHN CNS(=O)(=O)CCN1C[C@H](C)C[C@@H]1C ZINC000621259339 370191675 /nfs/dbraw/zinc/19/16/75/370191675.db2.gz RXWVKZABLLJCHF-BDAKNGLRSA-N 0 3 220.338 0.266 20 0 BCADHN CNS(=O)(=O)CCN1C2CCCC1CCC2 ZINC000621259752 370192312 /nfs/dbraw/zinc/19/23/12/370192312.db2.gz FYGCCMDEKWIJQQ-UHFFFAOYSA-N 0 3 246.376 0.943 20 0 BCADHN CNS(=O)(=O)CCN1CC[C@H](C(C)C)C1 ZINC000621261765 370194855 /nfs/dbraw/zinc/19/48/55/370194855.db2.gz CADCMDSDNSTNNG-JTQLQIEISA-N 0 3 234.365 0.514 20 0 BCADHN CNS(=O)(=O)CCN1CCC2(CCC2)C1 ZINC000621262684 370195300 /nfs/dbraw/zinc/19/53/00/370195300.db2.gz LAYMKAOKVVBYQZ-UHFFFAOYSA-N 0 3 232.349 0.412 20 0 BCADHN CNS(=O)(=O)CCN1[C@H](C)CC[C@H]1C ZINC000621262777 370196056 /nfs/dbraw/zinc/19/60/56/370196056.db2.gz OOGKKQZSPWZKAU-RKDXNWHRSA-N 0 3 220.338 0.408 20 0 BCADHN CNS(=O)(=O)CCN1CC[C@@H](C2CC2)C1 ZINC000621271316 370202349 /nfs/dbraw/zinc/20/23/49/370202349.db2.gz DAZNNLBMMRLDJZ-SNVBAGLBSA-N 0 3 232.349 0.268 20 0 BCADHN CNS(=O)(=O)CCN(C)C[C@H]1CC1(C)C ZINC000621323102 370252168 /nfs/dbraw/zinc/25/21/68/370252168.db2.gz SNSZXZMKSXKGSY-SECBINFHSA-N 0 3 234.365 0.514 20 0 BCADHN Cc1nccnc1CN[C@@H](C)[C@@H](C)CO ZINC000621337695 370271189 /nfs/dbraw/zinc/27/11/89/370271189.db2.gz HABGRODQRHQZMD-IUCAKERBSA-N 0 3 209.293 0.892 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000621346061 370281306 /nfs/dbraw/zinc/28/13/06/370281306.db2.gz BBNJLQXTOVURPD-VIFPVBQESA-N 0 3 243.351 0.358 20 0 BCADHN CCc1ncncc1C(=O)NCCN(C)CC ZINC000076486817 370296357 /nfs/dbraw/zinc/29/63/57/370296357.db2.gz WKWPJCNTQQEGTQ-UHFFFAOYSA-N 0 3 236.319 0.721 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H](C)[C@H](CO)C1 ZINC000621365278 370300154 /nfs/dbraw/zinc/30/01/54/370300154.db2.gz TVBQPMSLZWDFOT-MNOVXSKESA-N 0 3 228.336 0.415 20 0 BCADHN Cc1cc(CNC[C@H](O)CN(C)C2CC2)on1 ZINC000310140277 370306348 /nfs/dbraw/zinc/30/63/48/370306348.db2.gz JZYZGADHVQGAQB-NSHDSACASA-N 0 3 239.319 0.528 20 0 BCADHN CC(=O)[C@](C)(O)CN1CC[C@@H](C)[C@@H](CO)C1 ZINC000621374185 370315074 /nfs/dbraw/zinc/31/50/74/370315074.db2.gz VYMHRCHYDFHOKZ-YUSALJHKSA-N 0 3 229.320 0.277 20 0 BCADHN CN1CCN(C(=O)CN[C@H]2CCC2(C)C)CC1 ZINC000310257901 370329138 /nfs/dbraw/zinc/32/91/38/370329138.db2.gz FSOOLWZURCHWGK-NSHDSACASA-N 0 3 239.363 0.539 20 0 BCADHN C[C@H]1CN(C(=O)CN(C)CC2CC2)C[C@H](C)O1 ZINC000076747301 370349378 /nfs/dbraw/zinc/34/93/78/370349378.db2.gz LUNVOZOALULOFC-QWRGUYRKSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@@H]1CN(Cc2nccnc2C)C[C@H]1O ZINC000621720259 370471160 /nfs/dbraw/zinc/47/11/60/370471160.db2.gz QVEKUVZYGCJPSR-ZYHUDNBSSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1nc(C)c(CNC(=O)C(C)(C)N)o1 ZINC000311796761 370437644 /nfs/dbraw/zinc/43/76/44/370437644.db2.gz SENDDRTZTXORMK-UHFFFAOYSA-N 0 3 211.265 0.645 20 0 BCADHN COC[C@H](O)CN1CCOC[C@@H]1C1CCC1 ZINC000568390504 326351441 /nfs/dbraw/zinc/35/14/41/326351441.db2.gz RMAAXMRVHBNFGL-VXGBXAGGSA-N 0 3 229.320 0.495 20 0 BCADHN CC(=O)N1CC[C@@H](N[C@@H]2CCCn3nccc32)C1 ZINC000621773586 370517481 /nfs/dbraw/zinc/51/74/81/370517481.db2.gz UFRAWWRLUPFONV-VXGBXAGGSA-N 0 3 248.330 0.928 20 0 BCADHN CCCOCC(=O)N[C@H]1CCCN(C)C1 ZINC000065621023 370481951 /nfs/dbraw/zinc/48/19/51/370481951.db2.gz RYDLKEJTUXGFJQ-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2nccnc2C)C1 ZINC000621731304 370484824 /nfs/dbraw/zinc/48/48/24/370484824.db2.gz JDZPUASQJOVIFE-SNVBAGLBSA-N 0 3 234.303 0.353 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCc1c(C)noc1C ZINC000568507909 326361160 /nfs/dbraw/zinc/36/11/60/326361160.db2.gz LVAPWWZRHDMHNW-VXGBXAGGSA-N 0 3 240.303 0.837 20 0 BCADHN CN(C)CCN(C(=O)c1ncc[nH]1)C1CC1 ZINC000621957767 370621150 /nfs/dbraw/zinc/62/11/50/370621150.db2.gz GHDTXPSBRZQPQE-UHFFFAOYSA-N 0 3 222.292 0.576 20 0 BCADHN CN(C)CCN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC000621957713 370621503 /nfs/dbraw/zinc/62/15/03/370621503.db2.gz DJHIPBBIGJWMGM-GDNZZTSVSA-N 0 3 238.331 0.431 20 0 BCADHN O=c1ccc(CN[C@H]2CCCCNC2=O)c[nH]1 ZINC000631038826 370993819 /nfs/dbraw/zinc/99/38/19/370993819.db2.gz NFQKASZAAQACGM-JTQLQIEISA-N 0 3 235.287 0.546 20 0 BCADHN Cc1nn(C)cc1CC(=O)N[C@@H](C)CN(C)C ZINC000622599947 371010843 /nfs/dbraw/zinc/01/08/43/371010843.db2.gz GVRMDZHATLHWBW-VIFPVBQESA-N 0 3 238.335 0.337 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H](C)c1ccnn1C ZINC000622600170 371010985 /nfs/dbraw/zinc/01/09/85/371010985.db2.gz NTQQOPIPYKLPAF-UWVGGRQHSA-N 0 3 238.335 0.590 20 0 BCADHN C[C@@H](C(=O)N[C@@H](C)CN(C)C)c1ccnn1C ZINC000622600171 371011366 /nfs/dbraw/zinc/01/13/66/371011366.db2.gz NTQQOPIPYKLPAF-VHSXEESVSA-N 0 3 238.335 0.590 20 0 BCADHN CC[C@@H](O)CC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000622615380 371018094 /nfs/dbraw/zinc/01/80/94/371018094.db2.gz OYQUENOOKUFKFZ-DGCLKSJQSA-N 0 3 240.347 0.702 20 0 BCADHN CCC1(CNC(=O)CN(C)C(C)C)COC1 ZINC000622655280 371040564 /nfs/dbraw/zinc/04/05/64/371040564.db2.gz INXOEEPADUAKCO-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN CCC1CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000622682483 371059565 /nfs/dbraw/zinc/05/95/65/371059565.db2.gz AQHQECRKRLYENI-SSDOTTSWSA-N 0 3 219.306 0.288 20 0 BCADHN c1c(CNCC2COC2)nn2c1CCCC2 ZINC000623761717 371084840 /nfs/dbraw/zinc/08/48/40/371084840.db2.gz PCEPMKJPXLJKLK-UHFFFAOYSA-N 0 3 221.304 0.955 20 0 BCADHN CC(=O)NCCN(C)C[C@@H]1CCCO1 ZINC000623759828 371084924 /nfs/dbraw/zinc/08/49/24/371084924.db2.gz OJKAERKDYILVNI-JTQLQIEISA-N 0 3 200.282 0.233 20 0 BCADHN c1c(CNCC2COC2)nn2c1CCC2 ZINC000623761641 371084936 /nfs/dbraw/zinc/08/49/36/371084936.db2.gz HMERTTPPHSSAML-UHFFFAOYSA-N 0 3 207.277 0.565 20 0 BCADHN Nc1nc(N)nc(N2CC[C@@H]2c2ccccc2)n1 ZINC000623874706 371137352 /nfs/dbraw/zinc/13/73/52/371137352.db2.gz OLQBHBLSTLDZNO-SECBINFHSA-N 0 3 242.286 0.648 20 0 BCADHN Nc1nc(N)nc(N2CCC[C@H]2C2CCCC2)n1 ZINC000623882328 371139127 /nfs/dbraw/zinc/13/91/27/371139127.db2.gz RUEHOWMDZZUKCA-VIFPVBQESA-N 0 3 248.334 0.856 20 0 BCADHN Nc1nc(N)nc(N[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000623890474 371141136 /nfs/dbraw/zinc/14/11/36/371141136.db2.gz NDTJDXQIQILMFW-DTWKUNHWSA-N 0 3 242.286 0.087 20 0 BCADHN CN(CCNCc1cnn(C)c1)CC(F)F ZINC000623830910 371115527 /nfs/dbraw/zinc/11/55/27/371115527.db2.gz IAUCQHZNFVMVGR-UHFFFAOYSA-N 0 3 232.278 0.707 20 0 BCADHN Nc1nc(N)nc(N2CCc3sccc3C2)n1 ZINC000623829687 371115886 /nfs/dbraw/zinc/11/58/86/371115886.db2.gz RHIZNOJTMVGXPA-UHFFFAOYSA-N 0 3 248.315 0.321 20 0 BCADHN O=C1[C@H](N[C@H]2CCOC2)CCN1C1CCC1 ZINC000623841252 371122476 /nfs/dbraw/zinc/12/24/76/371122476.db2.gz SIAVYCOFJWCGTE-GXSJLCMTSA-N 0 3 224.304 0.518 20 0 BCADHN O=C1[C@@H](N[C@@H]2CCOC2)CCN1C1CCC1 ZINC000623841253 371122999 /nfs/dbraw/zinc/12/29/99/371122999.db2.gz SIAVYCOFJWCGTE-KOLCDFICSA-N 0 3 224.304 0.518 20 0 BCADHN CCN(Cc1ccoc1)c1nc(N)nc(N)n1 ZINC000623929047 371159720 /nfs/dbraw/zinc/15/97/20/371159720.db2.gz KNRZCBPWVZHEJW-UHFFFAOYSA-N 0 3 234.263 0.316 20 0 BCADHN CS[C@H](C)CNC(=O)[C@H]1NCC1(C)C ZINC000389854119 371178161 /nfs/dbraw/zinc/17/81/61/371178161.db2.gz ACOIJAXFINDLTP-HTQZYQBOSA-N 0 3 216.350 0.852 20 0 BCADHN C[C@H](CNC(=O)c1cnn(C2CC2)c1)N(C)C ZINC000623975648 371210413 /nfs/dbraw/zinc/21/04/13/371210413.db2.gz LOOPWINWKNSVTR-SECBINFHSA-N 0 3 236.319 0.898 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Cc1n[nH]cc1[C@@H](C)NC[C@H]1COCCN1C ZINC000624174408 371365036 /nfs/dbraw/zinc/36/50/36/371365036.db2.gz WUHXTJIOSJSIGR-KOLCDFICSA-N 0 3 238.335 0.699 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@H]1COCCN1C ZINC000624174410 371365288 /nfs/dbraw/zinc/36/52/88/371365288.db2.gz WUHXTJIOSJSIGR-ONGXEEELSA-N 0 3 238.335 0.699 20 0 BCADHN Cc1n[nH]cc1[C@H](C)N[C@H]1C[C@H](C(N)=O)C1 ZINC000624131645 371332848 /nfs/dbraw/zinc/33/28/48/371332848.db2.gz UBWGEWBQZQYODE-XVYDVKMFSA-N 0 3 222.292 0.633 20 0 BCADHN CC[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1ccn(C)n1 ZINC000624132768 371335071 /nfs/dbraw/zinc/33/50/71/371335071.db2.gz YXMHKHLXEQUBCK-OPRDCNLKSA-N 0 3 236.319 0.725 20 0 BCADHN CC1(C2CC2)CCN(c2nc(N)nc(N)n2)CC1 ZINC000624232934 371419623 /nfs/dbraw/zinc/41/96/23/371419623.db2.gz QXBPTTMEHTWAAS-UHFFFAOYSA-N 0 3 248.334 0.713 20 0 BCADHN C[C@@H]1CN(c2nc(N)nc(N)n2)CCC1(F)F ZINC000624232093 371420554 /nfs/dbraw/zinc/42/05/54/371420554.db2.gz SUXUBZTYZXCIGU-RXMQYKEDSA-N 0 3 244.249 0.178 20 0 BCADHN 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BCADHN CCCN1CCC[C@H](N2CCNC2=O)C1 ZINC000363374963 169197874 /nfs/dbraw/zinc/19/78/74/169197874.db2.gz KOMSYXKMFXOFLA-JTQLQIEISA-N 0 3 211.309 0.886 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CC[C@H](CO)C1 ZINC000340317373 169198722 /nfs/dbraw/zinc/19/87/22/169198722.db2.gz PTNINTVOTNDELY-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NC[C@H](O)C(C)C ZINC000331206282 169199667 /nfs/dbraw/zinc/19/96/67/169199667.db2.gz DMYFGNMVAAUIPD-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CCC[C@H]1CNS(=O)(=O)CC ZINC000352501897 169200826 /nfs/dbraw/zinc/20/08/26/169200826.db2.gz XPBQSHPBUGUDRL-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN CCCN1CCN(Cc2cnn(C)c2)CC1 ZINC000070703356 169202993 /nfs/dbraw/zinc/20/29/93/169202993.db2.gz LGICYEHCILJQCZ-UHFFFAOYSA-N 0 3 222.336 0.948 20 0 BCADHN CCCN1CCN(c2cnn(C)c2)CC1 ZINC000266965135 169204514 /nfs/dbraw/zinc/20/45/14/169204514.db2.gz ZBPUSEIKIAJVCW-UHFFFAOYSA-N 0 3 208.309 0.952 20 0 BCADHN CCCNC(=O)CNCC(C)(C)COC ZINC000336688271 169225772 /nfs/dbraw/zinc/22/57/72/169225772.db2.gz LLIXIPUMOQSMRH-UHFFFAOYSA-N 0 3 216.325 0.775 20 0 BCADHN CCCNC(=O)CNC(C)(C)C(C)(C)O ZINC000223241338 169225913 /nfs/dbraw/zinc/22/59/13/169225913.db2.gz JMLOIQPSLDWRDJ-UHFFFAOYSA-N 0 3 216.325 0.652 20 0 BCADHN CCCNC(=O)CNC(=O)c1cccc(CN)c1 ZINC000036780717 169226460 /nfs/dbraw/zinc/22/64/60/169226460.db2.gz BESCAVUPMVINFN-UHFFFAOYSA-N 0 3 249.314 0.401 20 0 BCADHN CCCNC(=O)CNC[C@H]1CCCO1 ZINC000020055590 169226500 /nfs/dbraw/zinc/22/65/00/169226500.db2.gz GSAYOZHLXPKCFM-SECBINFHSA-N 0 3 200.282 0.281 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCC[C@H]1C(=O)NC ZINC000330593182 169227914 /nfs/dbraw/zinc/22/79/14/169227914.db2.gz YVJJCEWUFVXQRM-NXEZZACHSA-N 0 3 241.335 0.017 20 0 BCADHN CCCNC(=O)CN[C@H]1CCOC1(C)C ZINC000328465575 169228848 /nfs/dbraw/zinc/22/88/48/169228848.db2.gz XASXWVMFUSDDBB-VIFPVBQESA-N 0 3 214.309 0.670 20 0 BCADHN CCCNC(=O)CN[C@H](C)C(C)(C)OC ZINC000301014957 169229045 /nfs/dbraw/zinc/22/90/45/169229045.db2.gz OVWWAXPNSCCFFO-SECBINFHSA-N 0 3 216.325 0.916 20 0 BCADHN CCCNC(=O)CN[C@H]1CCOC[C@@H]1OCC ZINC000362029364 169229230 /nfs/dbraw/zinc/22/92/30/169229230.db2.gz SKONZQUGYWUYMT-QWRGUYRKSA-N 0 3 244.335 0.296 20 0 BCADHN c1cc(CN2CCN(CC3CC3)CC2)n[nH]1 ZINC000130686658 183344238 /nfs/dbraw/zinc/34/42/38/183344238.db2.gz DRMUZDJZFVKGKJ-UHFFFAOYSA-N 0 3 220.320 0.937 20 0 BCADHN CCCNC(=O)CSCCN(C)C ZINC000106425470 169231671 /nfs/dbraw/zinc/23/16/71/169231671.db2.gz TZKFHWUTPYCLCU-UHFFFAOYSA-N 0 3 204.339 0.807 20 0 BCADHN c1cc(CNCCN2CCCCC2)n[nH]1 ZINC000049574853 183350031 /nfs/dbraw/zinc/35/00/31/183350031.db2.gz JDHCNOQLJZRLQU-UHFFFAOYSA-N 0 3 208.309 0.985 20 0 BCADHN CCCNC(=O)C1=NO[C@]2(C1)CCCNC2 ZINC000096091961 169213707 /nfs/dbraw/zinc/21/37/07/169213707.db2.gz PIERGSNZUKLGCA-NSHDSACASA-N 0 3 225.292 0.411 20 0 BCADHN CCCNC(=O)CCNCc1cnn(CC)c1 ZINC000050539795 169216730 /nfs/dbraw/zinc/21/67/30/169216730.db2.gz AHJLUEAZADGGDD-UHFFFAOYSA-N 0 3 238.335 0.909 20 0 BCADHN CCCNC(=O)CCNCc1c[nH]nc1C ZINC000044353147 169216823 /nfs/dbraw/zinc/21/68/23/169216823.db2.gz JBEUSWNURNENNU-UHFFFAOYSA-N 0 3 224.308 0.724 20 0 BCADHN CCCNC(=O)CCNCc1cnc(C)nc1 ZINC000340457875 169216962 /nfs/dbraw/zinc/21/69/62/169216962.db2.gz WLWMFKNLUNWQGZ-UHFFFAOYSA-N 0 3 236.319 0.791 20 0 BCADHN CCCNC(=O)CCN[C@H](C)c1ccnn1C ZINC000192251009 169217337 /nfs/dbraw/zinc/21/73/37/169217337.db2.gz HOGPBPDGCTYGEI-SNVBAGLBSA-N 0 3 238.335 0.987 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@H](N)CC(C)C ZINC000045088659 169217428 /nfs/dbraw/zinc/21/74/28/169217428.db2.gz CQXMIIUFQQZMRO-SNVBAGLBSA-N 0 3 243.351 0.392 20 0 BCADHN CCCNC(=O)CN1CCCC[C@@H](CO)C1 ZINC000374048545 169221752 /nfs/dbraw/zinc/22/17/52/169221752.db2.gz FPCXMSLGRVQODN-LLVKDONJSA-N 0 3 228.336 0.607 20 0 BCADHN CCCNC(=O)NCCN(C)CCOC ZINC000122134461 169236598 /nfs/dbraw/zinc/23/65/98/169236598.db2.gz FNTPHPZPZVIKRI-UHFFFAOYSA-N 0 3 217.313 0.274 20 0 BCADHN CCCNC(=O)NC(=O)CN1C[C@@H](C)C[C@H]1C ZINC000354204232 169236884 /nfs/dbraw/zinc/23/68/84/169236884.db2.gz DMWHNTOTIHOSPS-VHSXEESVSA-N 0 3 241.335 0.953 20 0 BCADHN CCCNC(=O)NC(=O)CN1C[C@H](C)C[C@H]1C ZINC000354204229 169236943 /nfs/dbraw/zinc/23/69/43/169236943.db2.gz DMWHNTOTIHOSPS-NXEZZACHSA-N 0 3 241.335 0.953 20 0 BCADHN CCCNC(=O)[C@@H](C)NC(=O)[C@@](C)(N)CCC ZINC000037621982 169242170 /nfs/dbraw/zinc/24/21/70/169242170.db2.gz IWNUQXIQHKVQGU-SKDRFNHKSA-N 0 3 243.351 0.535 20 0 BCADHN CCCNC(=O)[C@H](C)N(C)C[C@H]1CCC[C@@H]1O ZINC000246057606 169244942 /nfs/dbraw/zinc/24/49/42/169244942.db2.gz BEKRWLIHASMVCN-TUAOUCFPSA-N 0 3 242.363 0.994 20 0 BCADHN CCCNC(=O)[C@H](C)N(C)[C@@H]1CCC[C@@H]1O ZINC000352695610 169245438 /nfs/dbraw/zinc/24/54/38/169245438.db2.gz IGMCFCIYPSBNJP-AXFHLTTASA-N 0 3 228.336 0.746 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@@H](C)Cn1cccn1 ZINC000042269863 169246470 /nfs/dbraw/zinc/24/64/70/169246470.db2.gz ZATKSJUCLZZXSE-QWRGUYRKSA-N 0 3 238.335 0.776 20 0 BCADHN CCCNC(=O)[C@H](C)NC(=O)[C@](C)(N)CCC ZINC000037621981 169246795 /nfs/dbraw/zinc/24/67/95/169246795.db2.gz IWNUQXIQHKVQGU-JOYOIKCWSA-N 0 3 243.351 0.535 20 0 BCADHN CCCOCC(=O)N(CCN(C)C)C1CC1 ZINC000356875687 169302084 /nfs/dbraw/zinc/30/20/84/169302084.db2.gz NOKDBEUBIZUOLV-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CCCOCC(=O)NCC1=CCN(C)CC1 ZINC000271861255 169305086 /nfs/dbraw/zinc/30/50/86/169305086.db2.gz KFTBUIZLOGRIPI-UHFFFAOYSA-N 0 3 226.320 0.791 20 0 BCADHN CCCS(=O)(=O)N[C@H]1CNCC[C@@H]1C ZINC000070957557 169333742 /nfs/dbraw/zinc/33/37/42/169333742.db2.gz JZOUBNRSTBABQG-IUCAKERBSA-N 0 3 220.338 0.314 20 0 BCADHN CCC[C@@H](C(=O)N[C@@H](C)CO)N(C)C ZINC000132060651 169345375 /nfs/dbraw/zinc/34/53/75/169345375.db2.gz KDRUCWYUNAYTQB-IUCAKERBSA-N 0 3 202.298 0.214 20 0 BCADHN CCC[C@@H](C(=O)NCc1cnn(C)c1)N(C)C ZINC000161739909 169345432 /nfs/dbraw/zinc/34/54/32/169345432.db2.gz HSDLZHPSYJJLPR-NSHDSACASA-N 0 3 238.335 0.767 20 0 BCADHN CCC[C@@H](C(=O)NCc1nc(C)no1)N(C)C ZINC000330474920 169345455 /nfs/dbraw/zinc/34/54/55/169345455.db2.gz FCHRJWIAHNJWFT-VIFPVBQESA-N 0 3 240.307 0.725 20 0 BCADHN CCC[C@@H](C(=O)NC[C@@H]1[C@H]2COC[C@H]21)N(C)C ZINC000367803257 169345486 /nfs/dbraw/zinc/34/54/86/169345486.db2.gz MQGZXURQODLLQV-YFKTTZPYSA-N 0 3 240.347 0.725 20 0 BCADHN CCC[C@@H](C(=O)N[C@H]1CC(=O)N(C)C1)N(C)C ZINC000330508633 169346215 /nfs/dbraw/zinc/34/62/15/169346215.db2.gz AOYLMXDIEKGNNG-UWVGGRQHSA-N 0 3 241.335 0.064 20 0 BCADHN CCC[C@@H](C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358039558 169350817 /nfs/dbraw/zinc/35/08/17/169350817.db2.gz CNGSGNSBBNNKDV-ZYHUDNBSSA-N 0 3 228.336 0.605 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)Cc1nccn1C ZINC000037823016 169387197 /nfs/dbraw/zinc/38/71/97/169387197.db2.gz NULNQDVBRDLWOD-SECBINFHSA-N 0 3 224.308 0.506 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)Cc1cnccn1 ZINC000353672872 169387278 /nfs/dbraw/zinc/38/72/78/169387278.db2.gz APXKZDKRIOMTDI-SNVBAGLBSA-N 0 3 222.292 0.562 20 0 BCADHN CCC[C@@H](N)C(=O)NC[C@@H]1CCOC1 ZINC000037739155 169388822 /nfs/dbraw/zinc/38/88/22/169388822.db2.gz TXXIYUBMQXVVLN-DTWKUNHWSA-N 0 3 200.282 0.267 20 0 BCADHN CCC[C@@H](N)C(=O)NC1CCOCC1 ZINC000036873455 169388977 /nfs/dbraw/zinc/38/89/77/169388977.db2.gz PRUOSNAJGQDGTO-SECBINFHSA-N 0 3 200.282 0.409 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H](C)COCCOC ZINC000353721883 169391017 /nfs/dbraw/zinc/39/10/17/169391017.db2.gz FOWMIBORKDFMDA-VHSXEESVSA-N 0 3 232.324 0.282 20 0 BCADHN COCCOCC(=O)N(C)CCN1CCCC1 ZINC000221059704 134318281 /nfs/dbraw/zinc/31/82/81/134318281.db2.gz YRBWMBSCRGPKRS-UHFFFAOYSA-N 0 3 244.335 0.204 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1ccc(=O)n(C)c1 ZINC000037770321 169391866 /nfs/dbraw/zinc/39/18/66/169391866.db2.gz SRVKCOZSKFJCDP-SECBINFHSA-N 0 3 223.276 0.451 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1cc(C(N)=O)n(C)c1 ZINC000269042144 169392020 /nfs/dbraw/zinc/39/20/20/169392020.db2.gz JFUPOSDGRQNQEJ-MRVPVSSYSA-N 0 3 238.291 0.190 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1nc(C)ns1 ZINC000163207160 169392911 /nfs/dbraw/zinc/39/29/11/169392911.db2.gz HWROXBAMLBYMRZ-ZCFIWIBFSA-N 0 3 214.294 0.912 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@H]([C@@H](C)O)C1)N(C)C ZINC000181047413 134333445 /nfs/dbraw/zinc/33/34/45/134333445.db2.gz BOCABSAMBGLQKK-VWYCJHECSA-N 0 3 228.336 0.556 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCC(=O)N1CCCC1 ZINC000135249306 169450573 /nfs/dbraw/zinc/45/05/73/169450573.db2.gz TUIUBHGXTBKNPX-GFCCVEGCSA-N 0 3 241.335 0.243 20 0 BCADHN CCC[C@H](N)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000037815264 169500596 /nfs/dbraw/zinc/50/05/96/169500596.db2.gz JGGSISYVYLQSGJ-QWRGUYRKSA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@@H]1CN(CC(=O)N(C)CC)C[C@H]1O ZINC000341018580 171076509 /nfs/dbraw/zinc/07/65/09/171076509.db2.gz WLCPGISJZNFCIJ-NXEZZACHSA-N 0 3 214.309 0.167 20 0 BCADHN CC(C)(C)SCC(=O)NC[C@@H]1CNCCO1 ZINC000227784687 166688610 /nfs/dbraw/zinc/68/86/10/166688610.db2.gz PFROYFINUWQWNX-VIFPVBQESA-N 0 3 246.376 0.623 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000226320459 134360104 /nfs/dbraw/zinc/36/01/04/134360104.db2.gz UZHONXNVVRPIQW-RNFRBKRXSA-N 0 3 242.241 0.399 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC([C@H](C)O)CC1 ZINC000225914405 134360299 /nfs/dbraw/zinc/36/02/99/134360299.db2.gz QTRPYHNKJFCLHG-ZJUUUORDSA-N 0 3 228.336 0.556 20 0 BCADHN COCCCCCNC(=O)C1(N)CC1 ZINC000226326835 134360485 /nfs/dbraw/zinc/36/04/85/134360485.db2.gz MHNKXUUGKOUESR-UHFFFAOYSA-N 0 3 200.282 0.411 20 0 BCADHN O[C@@H]1CCN(CCO[C@H]2CCCCO2)C1 ZINC000085418210 134363153 /nfs/dbraw/zinc/36/31/53/134363153.db2.gz VSKLOCSESTVHNL-MNOVXSKESA-N 0 3 215.293 0.596 20 0 BCADHN COC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@@H](C)N(C)C ZINC000505361505 532970207 /nfs/dbraw/zinc/97/02/07/532970207.db2.gz GBKVRVYLSLRAHH-OPRDCNLKSA-N 0 3 242.319 0.252 20 0 BCADHN COC[C@H](C)N1CCC2(COC(=O)N2)CC1 ZINC000495256041 532988556 /nfs/dbraw/zinc/98/85/56/532988556.db2.gz WVVACLWZXOSSJJ-VIFPVBQESA-N 0 3 228.292 0.596 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000185269917 134376046 /nfs/dbraw/zinc/37/60/46/134376046.db2.gz MBHRPWFASJSRDB-VXGBXAGGSA-N 0 3 242.363 0.973 20 0 BCADHN COC(=O)CCCN1CCN(C)C[C@@H]1C ZINC000227226788 134376257 /nfs/dbraw/zinc/37/62/57/134376257.db2.gz IOZSPSMVHRQIOS-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H](C)CC(C)C ZINC000227348403 134377967 /nfs/dbraw/zinc/37/79/67/134377967.db2.gz RWEZCLRNFJAFAN-RKDXNWHRSA-N 0 3 202.298 0.511 20 0 BCADHN OC[C@@H]1CCN(C[C@H]2CCCCO2)C[C@H]1O ZINC000558165750 383823126 /nfs/dbraw/zinc/82/31/26/383823126.db2.gz ORDJWVPXZYIXTM-QJPTWQEYSA-N 0 3 229.320 0.231 20 0 BCADHN CC[C@@H]1CCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000558163947 383824626 /nfs/dbraw/zinc/82/46/26/383824626.db2.gz ZHSBBLSABRWPTO-NEPJUHHUSA-N 0 3 237.347 0.387 20 0 BCADHN CC[C@@H]1CCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000558163950 383825160 /nfs/dbraw/zinc/82/51/60/383825160.db2.gz ZHSBBLSABRWPTO-VXGBXAGGSA-N 0 3 237.347 0.387 20 0 BCADHN CN(C)CCNC(=O)c1ccc(F)nc1 ZINC000069632043 383836775 /nfs/dbraw/zinc/83/67/75/383836775.db2.gz VCJVJORQLJWTDD-UHFFFAOYSA-N 0 3 211.240 0.512 20 0 BCADHN CC[C@H](CO)NCc1cccc(OC)n1 ZINC000069637551 383837382 /nfs/dbraw/zinc/83/73/82/383837382.db2.gz XJGKWULWPBOQFN-SECBINFHSA-N 0 3 210.277 0.951 20 0 BCADHN COC[C@H](CO)NC[C@@H](OC)C1CC1 ZINC000400186699 383842162 /nfs/dbraw/zinc/84/21/62/383842162.db2.gz AHAQSEBCQLKYFR-VHSXEESVSA-N 0 3 203.282 0.008 20 0 BCADHN CC(C)CCOCCN1C[C@H](O)[C@@H](CO)C1 ZINC000317514288 383843047 /nfs/dbraw/zinc/84/30/47/383843047.db2.gz VDSHOHHKBDZNAA-NEPJUHHUSA-N 0 3 231.336 0.334 20 0 BCADHN C[C@H](N[C@@H]1CO[C@H](C)C1)C(=O)NCCF ZINC000647208777 383847262 /nfs/dbraw/zinc/84/72/62/383847262.db2.gz CTYMZURNWVTSQX-VGMNWLOBSA-N 0 3 218.272 0.228 20 0 BCADHN CCCCN(CCO)C(=O)N[C@@H](C)CN(C)C ZINC000358526200 383851691 /nfs/dbraw/zinc/85/16/91/383851691.db2.gz OMGFUJFYOPMCDA-NSHDSACASA-N 0 3 245.367 0.741 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)C1(N)CCCC1 ZINC000237070844 383857315 /nfs/dbraw/zinc/85/73/15/383857315.db2.gz LCEAJLAHDNQIQV-QMMMGPOBSA-N 0 3 228.292 0.183 20 0 BCADHN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)C1CC1 ZINC000111371071 383859937 /nfs/dbraw/zinc/85/99/37/383859937.db2.gz WQFOYRXIDOXCHC-SKDRFNHKSA-N 0 3 248.330 0.914 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@H](O)c1ccccc1 ZINC000035605577 383861805 /nfs/dbraw/zinc/86/18/05/383861805.db2.gz ONBIYDSEBMAMOH-VXGBXAGGSA-N 0 3 236.315 0.820 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCN(CC2CC2)CC1 ZINC000037816787 383864923 /nfs/dbraw/zinc/86/49/23/383864923.db2.gz GPGITRJUXBHGJR-GFCCVEGCSA-N 0 3 239.363 0.524 20 0 BCADHN CC(C)CCC(=O)NCC(=O)NCCN(C)C ZINC000111660341 383871972 /nfs/dbraw/zinc/87/19/72/383871972.db2.gz OPVNRLMRWPTQQP-UHFFFAOYSA-N 0 3 243.351 0.217 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1COCC1(C)C ZINC000313070269 383831663 /nfs/dbraw/zinc/83/16/63/383831663.db2.gz YTYRCFJJJIZJFB-UWVGGRQHSA-N 0 3 249.376 0.824 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000067044592 383906913 /nfs/dbraw/zinc/90/69/13/383906913.db2.gz ZHDZQACYWNUHRY-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN Cc1n[nH]c(C)c1CNCCNC(=O)C(C)C ZINC000036864675 383913279 /nfs/dbraw/zinc/91/32/79/383913279.db2.gz APYIUPXRYPAOAD-UHFFFAOYSA-N 0 3 238.335 0.888 20 0 BCADHN C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)C(N)=O ZINC000348155414 383919062 /nfs/dbraw/zinc/91/90/62/383919062.db2.gz YWEHGTZQKYFQAI-RRKCRQDMSA-N 0 3 222.235 0.610 20 0 BCADHN COC(=O)[C@]1(C)CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000237128525 383920321 /nfs/dbraw/zinc/92/03/21/383920321.db2.gz NFMPQOHOEWEZEP-JOYOIKCWSA-N 0 3 242.319 0.381 20 0 BCADHN CC(C)CO[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000643736810 383922281 /nfs/dbraw/zinc/92/22/81/383922281.db2.gz OFJMEIQTGXEAAT-AXFHLTTASA-N 0 3 226.320 0.607 20 0 BCADHN O=C(C1CCN(C2CC2)CC1)N1CC(O)C1 ZINC000336453333 383925658 /nfs/dbraw/zinc/92/56/58/383925658.db2.gz OARFIUFIJCVTNY-UHFFFAOYSA-N 0 3 224.304 0.064 20 0 BCADHN Cc1noc([C@H]2CCN(C[C@H](C)O)C2)n1 ZINC000407994320 383928623 /nfs/dbraw/zinc/92/86/23/383928623.db2.gz BYAFLXILTXNODZ-CBAPKCEASA-N 0 3 211.265 0.548 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H](C)Cn1cccn1 ZINC000036999158 383929126 /nfs/dbraw/zinc/92/91/26/383929126.db2.gz BDYNBHVTDICAHK-NXEZZACHSA-N 0 3 224.308 0.371 20 0 BCADHN Cc1nnnn1-c1cccc(NC(=O)[C@@H](C)N)c1 ZINC000037045503 383930527 /nfs/dbraw/zinc/93/05/27/383930527.db2.gz CRJZGTUBUHNIRW-SSDOTTSWSA-N 0 3 246.274 0.256 20 0 BCADHN CN1CCC(NC(=O)c2occc2N)CC1 ZINC000313142214 383932209 /nfs/dbraw/zinc/93/22/09/383932209.db2.gz OIMFAFMRQAZTER-UHFFFAOYSA-N 0 3 223.276 0.686 20 0 BCADHN C[C@@H](CNC(=O)C1CC(C)(O)C1)N1CCCC1 ZINC000560080114 383884683 /nfs/dbraw/zinc/88/46/83/383884683.db2.gz MKRBTVJFFFGXFQ-ZBOXLXRLSA-N 0 3 240.347 0.748 20 0 BCADHN COC(=O)[C@@]1(C)CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000237103266 383889047 /nfs/dbraw/zinc/88/90/47/383889047.db2.gz NFMPQOHOEWEZEP-CABZTGNLSA-N 0 3 242.319 0.381 20 0 BCADHN Cc1ccc(C(=O)NC[C@@H]2CNCCO2)o1 ZINC000036285252 383892991 /nfs/dbraw/zinc/89/29/91/383892991.db2.gz CVBUPJMBPUYJCX-VIFPVBQESA-N 0 3 224.260 0.306 20 0 BCADHN CCN(C)CCNC(=O)c1cccn1C ZINC000066959421 383903107 /nfs/dbraw/zinc/90/31/07/383903107.db2.gz KLWDTCPVOWKBBQ-UHFFFAOYSA-N 0 3 209.293 0.707 20 0 BCADHN COc1ncncc1CNCCC(C)(C)CO ZINC000647213908 383980538 /nfs/dbraw/zinc/98/05/38/383980538.db2.gz DVYMAVSOVIAHBU-UHFFFAOYSA-N 0 3 239.319 0.983 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](C)Cn1cccn1 ZINC000037621619 383991038 /nfs/dbraw/zinc/99/10/38/383991038.db2.gz HIFWGEBIDCXCCX-ZYHUDNBSSA-N 0 3 238.335 0.905 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@@H](C)CS(C)(=O)=O)C1(C)C ZINC000223810309 383937667 /nfs/dbraw/zinc/93/76/67/383937667.db2.gz WUQSIMBXNVIOAY-IVZWLZJFSA-N 0 3 249.376 0.823 20 0 BCADHN COC[C@H](O)CN[C@H](C)c1ccncc1 ZINC000070558715 383942295 /nfs/dbraw/zinc/94/22/95/383942295.db2.gz PWDDUEYAMJNBQU-MWLCHTKSSA-N 0 3 210.277 0.740 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](CC)COC ZINC000070626267 383945437 /nfs/dbraw/zinc/94/54/37/383945437.db2.gz GISRZOVPSZBEPO-BBBLOLIVSA-N 0 3 216.325 0.901 20 0 BCADHN CC(C)C[C@@H](CN(C)C)NC(=O)CO ZINC000332432919 383951976 /nfs/dbraw/zinc/95/19/76/383951976.db2.gz CDRRAVFFMIGEAM-VIFPVBQESA-N 0 3 202.298 0.071 20 0 BCADHN CNS(=O)(=O)C[C@H]1CCCN1C1CCCC1 ZINC000336460881 383952279 /nfs/dbraw/zinc/95/22/79/383952279.db2.gz QTIGRAOJVQZFLF-LLVKDONJSA-N 0 3 246.376 0.943 20 0 BCADHN CC(C(=O)N[C@H](C)C(F)(F)F)S(C)(=O)=O ZINC000332432323 383952683 /nfs/dbraw/zinc/95/26/83/383952683.db2.gz BZNYIRGILCMZPG-CRCLSJGQSA-N 0 3 247.238 0.487 20 0 BCADHN C[N@H+](CCNC(=O)c1c[n-]nn1)C1CCCC1 ZINC000112827346 383953803 /nfs/dbraw/zinc/95/38/03/383953803.db2.gz MJMZRCZRXCTNMM-UHFFFAOYSA-N 0 3 237.307 0.409 20 0 BCADHN C[N@@H+](CCNC(=O)c1c[n-]nn1)C1CCCC1 ZINC000112827346 383953809 /nfs/dbraw/zinc/95/38/09/383953809.db2.gz MJMZRCZRXCTNMM-UHFFFAOYSA-N 0 3 237.307 0.409 20 0 BCADHN C[N@H+](CCNC(=O)c1cnn[n-]1)C1CCCC1 ZINC000112827346 383953815 /nfs/dbraw/zinc/95/38/15/383953815.db2.gz MJMZRCZRXCTNMM-UHFFFAOYSA-N 0 3 237.307 0.409 20 0 BCADHN C[N@@H+](CCNC(=O)c1cnn[n-]1)C1CCCC1 ZINC000112827346 383953819 /nfs/dbraw/zinc/95/38/19/383953819.db2.gz MJMZRCZRXCTNMM-UHFFFAOYSA-N 0 3 237.307 0.409 20 0 BCADHN C[N@H+](CCNC(=O)c1cn[n-]n1)C1CCCC1 ZINC000112827346 383953825 /nfs/dbraw/zinc/95/38/25/383953825.db2.gz MJMZRCZRXCTNMM-UHFFFAOYSA-N 0 3 237.307 0.409 20 0 BCADHN C[N@@H+](CCNC(=O)c1cn[n-]n1)C1CCCC1 ZINC000112827346 383953829 /nfs/dbraw/zinc/95/38/29/383953829.db2.gz MJMZRCZRXCTNMM-UHFFFAOYSA-N 0 3 237.307 0.409 20 0 BCADHN CC(=O)c1csc(NC(=O)[C@H](C)N)n1 ZINC000070885979 383957138 /nfs/dbraw/zinc/95/71/38/383957138.db2.gz PANDLZPWXMPQCI-BYPYZUCNSA-N 0 3 213.262 0.631 20 0 BCADHN COCc1ccc(CNC(=O)CN)cc1 ZINC000237166811 383959025 /nfs/dbraw/zinc/95/90/25/383959025.db2.gz RHHPAFIKMZANJL-UHFFFAOYSA-N 0 3 208.261 0.408 20 0 BCADHN c1ncn(CCN2CCCO[C@@H]3CCC[C@@H]32)n1 ZINC000363410226 383959560 /nfs/dbraw/zinc/95/95/60/383959560.db2.gz CQTZEEHAGCXEFB-NWDGAFQWSA-N 0 3 236.319 0.922 20 0 BCADHN C[C@H](O)CNCc1cnn2ccccc12 ZINC000070944285 383972489 /nfs/dbraw/zinc/97/24/89/383972489.db2.gz VRMCADIAXIEOMX-VIFPVBQESA-N 0 3 205.261 0.805 20 0 BCADHN CN(C)[C@H](CNC(=O)CN)c1cccc(F)c1 ZINC000237191269 383976530 /nfs/dbraw/zinc/97/65/30/383976530.db2.gz SNAADBHPKVPXRT-LLVKDONJSA-N 0 3 239.294 0.503 20 0 BCADHN C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccncc1 ZINC000068802970 384016450 /nfs/dbraw/zinc/01/64/50/384016450.db2.gz ZRAMSRIDROFBPE-GXTWGEPZSA-N 0 3 248.374 0.978 20 0 BCADHN CCN1C[C@H](N[C@H]2CO[C@@H](C)C2)CC1=O ZINC000401790472 384020580 /nfs/dbraw/zinc/02/05/80/384020580.db2.gz NJYRFDGBRSJDCQ-IVZWLZJFSA-N 0 3 212.293 0.374 20 0 BCADHN CCC(=O)N[C@H](C)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000648127435 384026853 /nfs/dbraw/zinc/02/68/53/384026853.db2.gz UCHHBXRUKFWCQM-BBBLOLIVSA-N 0 3 241.335 0.110 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@H]1CO[C@@H](C)C1 ZINC000401798534 384022147 /nfs/dbraw/zinc/02/21/47/384022147.db2.gz RHKUUHCXQAWQLA-LPEHRKFASA-N 0 3 214.309 0.620 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)CO ZINC000518559572 384011138 /nfs/dbraw/zinc/01/11/38/384011138.db2.gz BFBFQUKMAVPYLO-KOLCDFICSA-N 0 3 240.347 0.604 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1ccc(=O)n(C)c1 ZINC000037770259 384014035 /nfs/dbraw/zinc/01/40/35/384014035.db2.gz MCIHKHYCYSLQME-SNVBAGLBSA-N 0 3 223.276 0.307 20 0 BCADHN CCC[C@@H](C)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000187714177 384014108 /nfs/dbraw/zinc/01/41/08/384014108.db2.gz RGTZGSGBGDVNMO-BBBLOLIVSA-N 0 3 214.309 0.750 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(=O)n(CC)c1 ZINC000037765988 384015013 /nfs/dbraw/zinc/01/50/13/384015013.db2.gz CVSLFQZMXDBFIO-VIFPVBQESA-N 0 3 223.276 0.544 20 0 BCADHN CC(C)COC[C@H](O)CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367834665 384046642 /nfs/dbraw/zinc/04/66/42/384046642.db2.gz WGXJSICPNFBNSM-NDBYEHHHSA-N 0 3 243.347 0.190 20 0 BCADHN C[C@@H](N)C(=O)Nc1c2c(nn1C)CCC2 ZINC000261590479 384050784 /nfs/dbraw/zinc/05/07/84/384050784.db2.gz UNXFVVDWMRAUDP-ZCFIWIBFSA-N 0 3 208.265 0.195 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](O)C(F)(F)F)N(C)C ZINC000332499393 384051040 /nfs/dbraw/zinc/05/10/40/384051040.db2.gz SVAARPWXZFLCSF-BQBZGAKWSA-N 0 3 242.241 0.366 20 0 BCADHN COC(=O)[C@@H]1CCCCC[C@@H]1NCC(N)=O ZINC000309428162 384050986 /nfs/dbraw/zinc/05/09/86/384050986.db2.gz FQULQFGXAHMGFK-BDAKNGLRSA-N 0 3 228.292 0.183 20 0 BCADHN CC[C@@H](C(=O)NC(C)(C)[C@H](C)O)N(C)C ZINC000332500747 384052027 /nfs/dbraw/zinc/05/20/27/384052027.db2.gz TZJNCKLOUZTXMK-IUCAKERBSA-N 0 3 216.325 0.602 20 0 BCADHN COCc1cccc(CNC[C@H](O)COC)c1 ZINC000069054208 384027745 /nfs/dbraw/zinc/02/77/45/384027745.db2.gz AEEJTNVZLMWLGT-ZDUSSCGKSA-N 0 3 239.315 0.930 20 0 BCADHN CC(C)[C@H]1CN(C(=O)N2CCOCC2)CCN1 ZINC000647255768 384031978 /nfs/dbraw/zinc/03/19/78/384031978.db2.gz PRQRWYFADZCZAH-LLVKDONJSA-N 0 3 241.335 0.368 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@H]1CO[C@@H](C)C1 ZINC000647217194 384035604 /nfs/dbraw/zinc/03/56/04/384035604.db2.gz DLFZJURVKVOHLI-QCLAVDOMSA-N 0 3 201.266 0.167 20 0 BCADHN CCOC[C@H](O)CN(C)CCc1ccncc1 ZINC000069276565 384037924 /nfs/dbraw/zinc/03/79/24/384037924.db2.gz PBYMFABFFLCJDW-CYBMUJFWSA-N 0 3 238.331 0.953 20 0 BCADHN COCCNC(=O)C1(N[C@@H]2CO[C@@H](C)C2)CC1 ZINC000647217315 384038317 /nfs/dbraw/zinc/03/83/17/384038317.db2.gz LDGQOIPXMUSZLZ-UWVGGRQHSA-N 0 3 242.319 0.049 20 0 BCADHN CO[C@@H](CNC[C@@H]1CCCS1(=O)=O)C1CC1 ZINC000400263707 384038787 /nfs/dbraw/zinc/03/87/87/384038787.db2.gz JGHPJWBLDAWGMD-QWRGUYRKSA-N 0 3 247.360 0.578 20 0 BCADHN CO[C@H](CNC[C@H]1CCCS1(=O)=O)C1CC1 ZINC000400263703 384039508 /nfs/dbraw/zinc/03/95/08/384039508.db2.gz JGHPJWBLDAWGMD-GHMZBOCLSA-N 0 3 247.360 0.578 20 0 BCADHN CCNC(=O)NC(=O)CN(C)C1CCC1 ZINC000075842712 384041111 /nfs/dbraw/zinc/04/11/11/384041111.db2.gz TVJZDOAMEPPDOJ-UHFFFAOYSA-N 0 3 213.281 0.316 20 0 BCADHN COC(=O)[C@@H](O)CNC[C@@H](O)CC1CCCC1 ZINC000564975216 384083782 /nfs/dbraw/zinc/08/37/82/384083782.db2.gz HQLIPEMEMZELAF-QWRGUYRKSA-N 0 3 245.319 0.051 20 0 BCADHN O=C([C@@H]1CCCOC1)N1CCN2CCC1CC2 ZINC000336536794 384088329 /nfs/dbraw/zinc/08/83/29/384088329.db2.gz OGJJNNABDNYMPC-LLVKDONJSA-N 0 3 238.331 0.720 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cncc(C)c1 ZINC000227414478 384089635 /nfs/dbraw/zinc/08/96/35/384089635.db2.gz KKOKCMAREMRCSP-SECBINFHSA-N 0 3 209.249 0.302 20 0 BCADHN CCS(=O)(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000336528480 384062303 /nfs/dbraw/zinc/06/23/03/384062303.db2.gz MVZIWZIEVABVON-MNOVXSKESA-N 0 3 246.376 0.895 20 0 BCADHN Cc1cccc(S(=O)(=O)[N-][C@H](C)C[NH3+])c1F ZINC000313223696 384065992 /nfs/dbraw/zinc/06/59/92/384065992.db2.gz YYTABQOKPSJHNU-MRVPVSSYSA-N 0 3 246.307 0.760 20 0 BCADHN C[C@H](NC[C@]1(O)CCOC1)c1ccncc1 ZINC000090848851 384079260 /nfs/dbraw/zinc/07/92/60/384079260.db2.gz GFGXAWKRQBGWMM-CMPLNLGQSA-N 0 3 222.288 0.884 20 0 BCADHN C[C@H](NC[C@]1(O)CCOC1)c1ccccn1 ZINC000090848847 384079320 /nfs/dbraw/zinc/07/93/20/384079320.db2.gz GQXJKRYIUUIWNY-CMPLNLGQSA-N 0 3 222.288 0.884 20 0 BCADHN CCC[C@H](N)C(=O)N1CCOC[C@H](C)C1 ZINC000371570067 384080053 /nfs/dbraw/zinc/08/00/53/384080053.db2.gz MWHBUCXNMQGIQA-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@H](COC)N[C@H](CO)c1cnn(C)c1 ZINC000090885232 384081474 /nfs/dbraw/zinc/08/14/74/384081474.db2.gz ISCJTTGTXHGJPW-GHMZBOCLSA-N 0 3 227.308 0.468 20 0 BCADHN O=C(C(F)F)N1CCN2CCC[C@H]2C1 ZINC000039055350 384101544 /nfs/dbraw/zinc/10/15/44/384101544.db2.gz KPKDNXPJWKNHSO-ZETCQYMHSA-N 0 3 204.220 0.558 20 0 BCADHN C[C@@H](CNCCc1ccccn1)S(C)(=O)=O ZINC000569474540 384102905 /nfs/dbraw/zinc/10/29/05/384102905.db2.gz IXAWFFKYCMVDLL-JTQLQIEISA-N 0 3 242.344 0.647 20 0 BCADHN O=C([C@H]1COc2ccccc21)N1CCCNCC1 ZINC000070389381 384104317 /nfs/dbraw/zinc/10/43/17/384104317.db2.gz QSJPVHZZDHNBLS-LBPRGKRZSA-N 0 3 246.310 0.985 20 0 BCADHN CCC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000335904969 384109706 /nfs/dbraw/zinc/10/97/06/384109706.db2.gz YDIWWPNNQPLGOZ-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN O=C1NCC[C@H]1N1CC[C@H](N2CCCCC2)C1 ZINC000336553495 384113824 /nfs/dbraw/zinc/11/38/24/384113824.db2.gz PKLPLNKXPITANM-NWDGAFQWSA-N 0 3 237.347 0.435 20 0 BCADHN Cc1cccc(CNC(=O)C[C@@H]2CNCCO2)c1 ZINC000091300396 384115833 /nfs/dbraw/zinc/11/58/33/384115833.db2.gz RZQXKGRBHFLAMM-CYBMUJFWSA-N 0 3 248.326 0.990 20 0 BCADHN CCOCC(=O)NCCN1CCC(C)CC1 ZINC000070255912 384093504 /nfs/dbraw/zinc/09/35/04/384093504.db2.gz STIJZGWXDZLWMC-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN OC[C@@H]1CCN(CCc2cccnc2)C[C@H]1O ZINC000569499851 384136048 /nfs/dbraw/zinc/13/60/48/384136048.db2.gz NIZSRRZDKFMTHQ-QWHCGFSZSA-N 0 3 236.315 0.299 20 0 BCADHN CN(C(=O)[C@]1(C)CCOC1)C1CCN(C)CC1 ZINC000336559446 384136123 /nfs/dbraw/zinc/13/61/23/384136123.db2.gz NJHORUBHHPWKDA-CYBMUJFWSA-N 0 3 240.347 0.966 20 0 BCADHN COC[C@@H](O)CNCc1cccc(OC)c1 ZINC000070558759 384120132 /nfs/dbraw/zinc/12/01/32/384120132.db2.gz LPMLGBVPEUEIDG-NSHDSACASA-N 0 3 225.288 0.792 20 0 BCADHN NC(=O)NC1CCN(C[C@H]2CCCCO2)CC1 ZINC000079466167 384148685 /nfs/dbraw/zinc/14/86/85/384148685.db2.gz TUGHUZFEJBTNSV-LLVKDONJSA-N 0 3 241.335 0.688 20 0 BCADHN COC[C@H](O)CNCc1ccc(OC)c(O)c1 ZINC000071265912 384158162 /nfs/dbraw/zinc/15/81/62/384158162.db2.gz YTKRMYFYDHHBIW-SNVBAGLBSA-N 0 3 241.287 0.498 20 0 BCADHN CC(C)NC(=O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000302377395 384153799 /nfs/dbraw/zinc/15/37/99/384153799.db2.gz PGQQGXFODTZNPJ-LLVKDONJSA-N 0 3 239.323 0.459 20 0 BCADHN CC(C)NC(=O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000302378606 384153811 /nfs/dbraw/zinc/15/38/11/384153811.db2.gz PGQQGXFODTZNPJ-NSHDSACASA-N 0 3 239.323 0.459 20 0 BCADHN COC[C@H](O)CNCc1cnn(C(C)(C)C)c1 ZINC000071265334 384157158 /nfs/dbraw/zinc/15/71/58/384157158.db2.gz OWBLHFGFSWCGEO-LLVKDONJSA-N 0 3 241.335 0.735 20 0 BCADHN CSC[C@@H](C)C(=O)N1CCCNCC1 ZINC000237354181 384157177 /nfs/dbraw/zinc/15/71/77/384157177.db2.gz MWWDUJGMIVDLNC-SECBINFHSA-N 0 3 216.350 0.807 20 0 BCADHN CCN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H](C)CO ZINC000358789526 384157501 /nfs/dbraw/zinc/15/75/01/384157501.db2.gz PAHCKFNEJKRBAG-WDEREUQCSA-N 0 3 230.352 0.802 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1ccnn1C ZINC000070905764 384141268 /nfs/dbraw/zinc/14/12/68/384141268.db2.gz CLTHRNYPZQOPLK-LLVKDONJSA-N 0 3 224.308 0.554 20 0 BCADHN Cn1nccc1CNC(=O)[C@@H]1CCCCN1 ZINC000070905795 384141445 /nfs/dbraw/zinc/14/14/45/384141445.db2.gz XJLIKANLKYOCBJ-JTQLQIEISA-N 0 3 222.292 0.178 20 0 BCADHN Cn1ccnc1CNC(=O)C1(N)CCCCC1 ZINC000071276119 384158512 /nfs/dbraw/zinc/15/85/12/384158512.db2.gz MTVUHOVTWBBSTC-UHFFFAOYSA-N 0 3 236.319 0.698 20 0 BCADHN COC[C@@H](O)CNCc1ccc(OC)c(F)c1 ZINC000071269625 384159769 /nfs/dbraw/zinc/15/97/69/384159769.db2.gz FWECNSUCKPIFNE-JTQLQIEISA-N 0 3 243.278 0.931 20 0 BCADHN CC(=O)N1CCCN(C(=O)[C@H](N)C(C)C)CC1 ZINC000042681438 384160426 /nfs/dbraw/zinc/16/04/26/384160426.db2.gz WOWQIGNYUXSYEN-LLVKDONJSA-N 0 3 241.335 0.051 20 0 BCADHN c1cn(CC2CCN(Cc3cnc[nH]3)CC2)nn1 ZINC000092098299 384162841 /nfs/dbraw/zinc/16/28/41/384162841.db2.gz HRWHLTZPHDXOLX-UHFFFAOYSA-N 0 3 246.318 0.913 20 0 BCADHN CC(C)(N)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000040921524 384170559 /nfs/dbraw/zinc/17/05/59/384170559.db2.gz ALBGDNHHBNYXHN-UHFFFAOYSA-N 0 3 246.274 0.338 20 0 BCADHN [NH3+][C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000050228622 384170944 /nfs/dbraw/zinc/17/09/44/384170944.db2.gz ZLUADMBTXJSMLN-QMMMGPOBSA-N 0 3 206.245 0.565 20 0 BCADHN CO[C@@H](C)[C@@H](C)NCC(=O)NC(C)(C)C ZINC000132319579 384185072 /nfs/dbraw/zinc/18/50/72/384185072.db2.gz OIKXNXCGDHUDMP-BDAKNGLRSA-N 0 3 216.325 0.914 20 0 BCADHN C[C@H]1C[C@@H](NCC(=O)NCC(F)(F)F)CO1 ZINC000401870798 384185849 /nfs/dbraw/zinc/18/58/49/384185849.db2.gz BSNPQEZNJXMEJQ-NKWVEPMBSA-N 0 3 240.225 0.432 20 0 BCADHN Cc1ncc2c(n1)CC[C@H](NC(=O)[C@@H]1C[C@@H]1N)C2 ZINC000643627832 384183068 /nfs/dbraw/zinc/18/30/68/384183068.db2.gz PMVKQIORCDHFHP-AXFHLTTASA-N 0 3 246.314 0.106 20 0 BCADHN CCN(CC)CC(=O)NC[C@H]1CCOC1 ZINC000076674006 384201629 /nfs/dbraw/zinc/20/16/29/384201629.db2.gz MULUPQCMOHKREY-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN CCc1nc(CN[C@@H]2CO[C@H](C)C2)n[nH]1 ZINC000401878565 384192509 /nfs/dbraw/zinc/19/25/09/384192509.db2.gz GREZTSWBDGTGGX-SFYZADRCSA-N 0 3 210.281 0.634 20 0 BCADHN C[C@H]1OCC[C@H]1C(=O)NCCNc1ccncc1 ZINC000356543165 384195343 /nfs/dbraw/zinc/19/53/43/384195343.db2.gz YLJCGTKVRRLPNO-ZYHUDNBSSA-N 0 3 249.314 0.457 20 0 BCADHN COCC[C@H](C)NCC(=O)NC(C)(C)C ZINC000081712549 384198093 /nfs/dbraw/zinc/19/80/93/384198093.db2.gz JDPFFBXKKHUQLC-VIFPVBQESA-N 0 3 216.325 0.916 20 0 BCADHN Cc1nc(Cn2cc([C@@H](N)C(C)C)nn2)no1 ZINC000302471128 384198925 /nfs/dbraw/zinc/19/89/25/384198925.db2.gz ZJMOMYSIQVOBQF-JTQLQIEISA-N 0 3 236.279 0.674 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H]1CSCCS1 ZINC000157637929 384234180 /nfs/dbraw/zinc/23/41/80/384234180.db2.gz ZTWGJGGIPKWYML-RQJHMYQMSA-N 0 3 220.363 0.298 20 0 BCADHN COC(=O)CNC(=O)CN1CCC[C@@H]1C1CC1 ZINC000363384607 384234605 /nfs/dbraw/zinc/23/46/05/384234605.db2.gz NAJMZAMEXLHTSL-SNVBAGLBSA-N 0 3 240.303 0.150 20 0 BCADHN CC[C@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623851584 384241255 /nfs/dbraw/zinc/24/12/55/384241255.db2.gz BWIGMBIZPICCAP-ZETCQYMHSA-N 0 3 222.296 0.323 20 0 BCADHN CCN(CCOCCO)CCc1cnccn1 ZINC000402901169 384238170 /nfs/dbraw/zinc/23/81/70/384238170.db2.gz LMCNZNODIIYNDR-UHFFFAOYSA-N 0 3 239.319 0.350 20 0 BCADHN CCOCCCN[C@H](C)CS(C)(=O)=O ZINC000081898879 384210283 /nfs/dbraw/zinc/21/02/83/384210283.db2.gz RHYZPTOBSGEDPW-SECBINFHSA-N 0 3 223.338 0.436 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CCCOC1 ZINC000081901213 384210586 /nfs/dbraw/zinc/21/05/86/384210586.db2.gz JIPNFKLGAULFNZ-BDAKNGLRSA-N 0 3 221.322 0.188 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCc1cscn1 ZINC000081901225 384210827 /nfs/dbraw/zinc/21/08/27/384210827.db2.gz QTYSSNMMXFCEFZ-MRVPVSSYSA-N 0 3 248.373 0.708 20 0 BCADHN C[C@H](N)C(=O)NCC1CCSCC1 ZINC000157563303 384217650 /nfs/dbraw/zinc/21/76/50/384217650.db2.gz AJOUILTZAAZHOQ-ZETCQYMHSA-N 0 3 202.323 0.593 20 0 BCADHN O[C@@H]1CCCN(CCc2cnccn2)CC1 ZINC000402890712 384220605 /nfs/dbraw/zinc/22/06/05/384220605.db2.gz FEOWMNIUWFVHBL-GFCCVEGCSA-N 0 3 221.304 0.866 20 0 BCADHN COCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000082256513 384220557 /nfs/dbraw/zinc/22/05/57/384220557.db2.gz TXHWWUAAJNVXQR-SNVBAGLBSA-N 0 3 212.293 0.330 20 0 BCADHN CC[C@@H](N)C(=O)N1CCCSCC1 ZINC000042444730 384222378 /nfs/dbraw/zinc/22/23/78/384222378.db2.gz XDVYHLLJTQMUPS-MRVPVSSYSA-N 0 3 202.323 0.689 20 0 BCADHN CO[C@@H]1CCC[C@H]1CNC(=O)[C@H]1NCC1(C)C ZINC000644155856 384225385 /nfs/dbraw/zinc/22/53/85/384225385.db2.gz WHHWKYNUFRHQPW-HBNTYKKESA-N 0 3 240.347 0.916 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H]2NCC2(C)C)CCO1 ZINC000644158186 384227338 /nfs/dbraw/zinc/22/73/38/384227338.db2.gz QXVFYGLJGBIIGF-BBBLOLIVSA-N 0 3 226.320 0.668 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2NCC2(C)C)CCO1 ZINC000644158188 384227741 /nfs/dbraw/zinc/22/77/41/384227741.db2.gz QXVFYGLJGBIIGF-OPRDCNLKSA-N 0 3 226.320 0.668 20 0 BCADHN CC[C@](C)(CN[C@H]1CC(=O)N(C)C1)OC ZINC000319450423 384249531 /nfs/dbraw/zinc/24/95/31/384249531.db2.gz MZIHYICXHRINPI-GXSJLCMTSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)c1cc(C(=O)N2CCNCC2)n[nH]1 ZINC000082651958 384250150 /nfs/dbraw/zinc/25/01/50/384250150.db2.gz YIZZYCSYFQLQCE-UHFFFAOYSA-N 0 3 222.292 0.579 20 0 BCADHN C[C@H](NC(=O)C1(N)CCC1)C1CCOCC1 ZINC000235491094 384253555 /nfs/dbraw/zinc/25/35/55/384253555.db2.gz SBDVHQXQKHKJRC-VIFPVBQESA-N 0 3 226.320 0.799 20 0 BCADHN Cc1noc(CCN[C@H]2CO[C@@H](C)C2)n1 ZINC000401908326 384253998 /nfs/dbraw/zinc/25/39/98/384253998.db2.gz JBDUVTYAXFXBTC-IONNQARKSA-N 0 3 211.265 0.688 20 0 BCADHN C[C@@H](O)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000083007142 384277495 /nfs/dbraw/zinc/27/74/95/384277495.db2.gz VWLAZDHAROSDMB-HTQZYQBOSA-N 0 3 202.298 0.247 20 0 BCADHN CC(C)NC(=O)Cn1cc2c(n1)[C@H](N)CCC2 ZINC000644167836 384257035 /nfs/dbraw/zinc/25/70/35/384257035.db2.gz CHJKTEHILPXURD-SNVBAGLBSA-N 0 3 236.319 0.744 20 0 BCADHN Cc1nocc1CNCCCN1CCOCC1 ZINC000294042918 384258143 /nfs/dbraw/zinc/25/81/43/384258143.db2.gz IUZQSOWHODTUQP-UHFFFAOYSA-N 0 3 239.319 0.795 20 0 BCADHN CC[C@H](CO)N1CCN(Cc2c[nH]cn2)CC1 ZINC000093740004 384264874 /nfs/dbraw/zinc/26/48/74/384264874.db2.gz KOUHIMOHLVBJNK-GFCCVEGCSA-N 0 3 238.335 0.298 20 0 BCADHN CC[C@H](CO)N1CCN(Cc2cnc[nH]2)CC1 ZINC000093740004 384264882 /nfs/dbraw/zinc/26/48/82/384264882.db2.gz KOUHIMOHLVBJNK-GFCCVEGCSA-N 0 3 238.335 0.298 20 0 BCADHN CN(C[C@H]1CCCO1)CC(C)(CO)CO ZINC000133763626 384265133 /nfs/dbraw/zinc/26/51/33/384265133.db2.gz BGMOYNJUXUCWFI-SNVBAGLBSA-N 0 3 217.309 0.088 20 0 BCADHN C[C@@H](N)C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000157705922 384265135 /nfs/dbraw/zinc/26/51/35/384265135.db2.gz UZZNKSVZKPPPLR-GJMOJQLCSA-N 0 3 202.323 0.686 20 0 BCADHN Cc1nocc1CN[C@@H](C)CN1CCOCC1 ZINC000294045054 384267710 /nfs/dbraw/zinc/26/77/10/384267710.db2.gz IXSHZFJLIXLCPI-JTQLQIEISA-N 0 3 239.319 0.793 20 0 BCADHN Cc1n[nH]cc1CN1CCC[C@H](CC(N)=O)C1 ZINC000093809340 384268241 /nfs/dbraw/zinc/26/82/41/384268241.db2.gz YQDIOFFNHNJLMJ-SNVBAGLBSA-N 0 3 236.319 0.806 20 0 BCADHN CC[C@@H](NC(=O)[C@H](C)N)c1c(C)nn(C)c1C ZINC000119394802 384268479 /nfs/dbraw/zinc/26/84/79/384268479.db2.gz SMYMEAIZLWQGHM-OIBJUYFYSA-N 0 3 238.335 0.951 20 0 BCADHN C[C@@H](O)CCNC(=O)C1(N)CCCCC1 ZINC000083007073 384272857 /nfs/dbraw/zinc/27/28/57/384272857.db2.gz PFGGBLRIBBOFEG-SECBINFHSA-N 0 3 214.309 0.535 20 0 BCADHN O=C1NC[C@H]2CN(C/C=C/Cl)CC[C@@H]12 ZINC000368245787 384274535 /nfs/dbraw/zinc/27/45/35/384274535.db2.gz YRQINGPTIPXSRO-JAHGQZHNSA-N 0 3 214.696 0.807 20 0 BCADHN C[C@@H]1CN(C(=O)c2cc[nH]n2)[C@@H](C)CN1 ZINC000083118142 384276433 /nfs/dbraw/zinc/27/64/33/384276433.db2.gz SLPSQAPOKAHWIF-SFYZADRCSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccn[nH]2)[C@@H](C)CN1 ZINC000083118142 384276439 /nfs/dbraw/zinc/27/64/39/384276439.db2.gz SLPSQAPOKAHWIF-SFYZADRCSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@](O)(CN[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000332214712 384309714 /nfs/dbraw/zinc/30/97/14/384309714.db2.gz WMMYFEFBOCNIOK-QWRGUYRKSA-N 0 3 247.360 0.314 20 0 BCADHN CC1(C)CC[C@H](CN2CC[C@H](CO)[C@@H](O)C2)O1 ZINC000560705496 384310929 /nfs/dbraw/zinc/31/09/29/384310929.db2.gz PLPYPJALZZRBMH-UTUOFQBUSA-N 0 3 243.347 0.619 20 0 BCADHN CC1(C)CC[C@H](CN2CC[C@@H](CO)[C@@H](O)C2)O1 ZINC000560705494 384312636 /nfs/dbraw/zinc/31/26/36/384312636.db2.gz PLPYPJALZZRBMH-TUAOUCFPSA-N 0 3 243.347 0.619 20 0 BCADHN COCCN(C)CCNc1nc(C)ns1 ZINC000083648601 384315775 /nfs/dbraw/zinc/31/57/75/384315775.db2.gz UGNJTFXEVIAALL-UHFFFAOYSA-N 0 3 230.337 0.837 20 0 BCADHN NCC(=O)N1CCC[C@H](n2cccn2)C1 ZINC000082275058 384318024 /nfs/dbraw/zinc/31/80/24/384318024.db2.gz JNFVWEYAAHOENY-VIFPVBQESA-N 0 3 208.265 0.005 20 0 BCADHN CC(C)NC(=O)CN[C@H]1CO[C@H](C)C1 ZINC000401943090 384318634 /nfs/dbraw/zinc/31/86/34/384318634.db2.gz PQMNYMZKJLAAJX-RKDXNWHRSA-N 0 3 200.282 0.278 20 0 BCADHN CC(C)(C)[C@H](CO)NC[C@H](O)C(F)(F)F ZINC000332503095 384320662 /nfs/dbraw/zinc/32/06/62/384320662.db2.gz JJVDSHITPTXBQV-BQBZGAKWSA-N 0 3 229.242 0.906 20 0 BCADHN CCc1cc(C(=O)NCCN(C)CC)[nH]n1 ZINC000119988213 384321148 /nfs/dbraw/zinc/32/11/48/384321148.db2.gz RDODYJZTARZVQF-UHFFFAOYSA-N 0 3 224.308 0.654 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C2(N)CCCC2)CO1 ZINC000335437021 384278683 /nfs/dbraw/zinc/27/86/83/384278683.db2.gz FXYJVLPJFUQUJT-IUCAKERBSA-N 0 3 212.293 0.552 20 0 BCADHN CCC1(NC(=O)CNCCOC)CCC1 ZINC000158276895 384287037 /nfs/dbraw/zinc/28/70/37/384287037.db2.gz FZDDCFGULLYUDE-UHFFFAOYSA-N 0 3 214.309 0.671 20 0 BCADHN Cc1cc(C)cc(CNC[C@@H](O)CO)c1 ZINC000083345866 384289378 /nfs/dbraw/zinc/28/93/78/384289378.db2.gz XAUXTFSBVIJEEY-GFCCVEGCSA-N 0 3 209.289 0.746 20 0 BCADHN O=C(c1cncc(F)c1)N1CCCNCC1 ZINC000133431009 384289888 /nfs/dbraw/zinc/28/98/88/384289888.db2.gz QKFFVOJTODYDCS-UHFFFAOYSA-N 0 3 223.251 0.656 20 0 BCADHN C[C@@H](CNC(=O)CN)Oc1ccccc1 ZINC000083345377 384290062 /nfs/dbraw/zinc/29/00/62/384290062.db2.gz ODPLKDHMJZAVAV-VIFPVBQESA-N 0 3 208.261 0.529 20 0 BCADHN Cc1ccc(CNC[C@@H](O)CO)cc1C ZINC000083345862 384291263 /nfs/dbraw/zinc/29/12/63/384291263.db2.gz OJOXUBLZJCILCQ-GFCCVEGCSA-N 0 3 209.289 0.746 20 0 BCADHN CCN(C)C(=O)CN[C@@H](COC)C(C)C ZINC000083399172 384294467 /nfs/dbraw/zinc/29/44/67/384294467.db2.gz MITZNYKISXYVLV-JTQLQIEISA-N 0 3 216.325 0.725 20 0 BCADHN Cc1ccc(O[C@H](C)CNC(=O)CN)cc1 ZINC000083351936 384298987 /nfs/dbraw/zinc/29/89/87/384298987.db2.gz PAQHBUFDHYWUBF-SNVBAGLBSA-N 0 3 222.288 0.837 20 0 BCADHN CN(C)CCNC(=O)c1cccc2nccnc21 ZINC000074732911 384303011 /nfs/dbraw/zinc/30/30/11/384303011.db2.gz ZVAVWIGZVIKMRD-UHFFFAOYSA-N 0 3 244.298 0.921 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CC2)CC(C)(C)O1 ZINC000083835721 384335091 /nfs/dbraw/zinc/33/50/91/384335091.db2.gz SJHORCJAGNHORW-MRVPVSSYSA-N 0 3 212.293 0.504 20 0 BCADHN C[C@@H](NCCN1CCOCC1)c1cnn(C)c1 ZINC000044494748 384335200 /nfs/dbraw/zinc/33/52/00/384335200.db2.gz GCBHCNUYOVQOTC-LLVKDONJSA-N 0 3 238.335 0.403 20 0 BCADHN CC(C)N1CCN(C(=O)C2(N)CC2)CC1 ZINC000083834390 384336019 /nfs/dbraw/zinc/33/60/19/384336019.db2.gz GIOAWDDSQXJNRB-UHFFFAOYSA-N 0 3 211.309 0.030 20 0 BCADHN CN(CCn1cccn1)C1(C(N)=O)CCCC1 ZINC000120204548 384336775 /nfs/dbraw/zinc/33/67/75/384336775.db2.gz RYPIZZZAIMPYCC-UHFFFAOYSA-N 0 3 236.319 0.613 20 0 BCADHN C[C@@H](NCC(C)(C)C(N)=O)c1cnccn1 ZINC000228806004 384336885 /nfs/dbraw/zinc/33/68/85/384336885.db2.gz HXGZROQJPLLTDR-MRVPVSSYSA-N 0 3 222.292 0.639 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccnnc2)[C@@H](C)CN1 ZINC000159535207 384337557 /nfs/dbraw/zinc/33/75/57/384337557.db2.gz JRPOQLBUQONJQT-BDAKNGLRSA-N 0 3 220.276 0.299 20 0 BCADHN Cc1nc(CCNC(=O)[C@@H](C)N)cs1 ZINC000083883577 384343067 /nfs/dbraw/zinc/34/30/67/384343067.db2.gz VCRIKUFQYSALOM-ZCFIWIBFSA-N 0 3 213.306 0.457 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)C(C)(C)N)CCO1 ZINC000083940422 384344624 /nfs/dbraw/zinc/34/46/24/384344624.db2.gz JUQGWNBPXBLKMH-VIFPVBQESA-N 0 3 214.309 0.607 20 0 BCADHN CN(Cc1nccs1)C(=O)C(C)(C)N ZINC000083930286 384348888 /nfs/dbraw/zinc/34/88/88/384348888.db2.gz QQNSBOODYCOWKG-UHFFFAOYSA-N 0 3 213.306 0.839 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@H]([C@H](C)O)C1 ZINC000533473877 384350353 /nfs/dbraw/zinc/35/03/53/384350353.db2.gz FNRHBQYKDRYQBU-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H](CN1CCN(CCO)C(C)(C)C1)OC ZINC000642704052 384350941 /nfs/dbraw/zinc/35/09/41/384350941.db2.gz RZOCDIYVXXXDMF-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN O=S(=O)(CC1CCC1)N1CCCNCC1 ZINC000335586344 384352496 /nfs/dbraw/zinc/35/24/96/384352496.db2.gz KQUBURSPMGOCTD-UHFFFAOYSA-N 0 3 232.349 0.412 20 0 BCADHN Cn1cc(C[C@@H]2CCN([C@H]3CCNC3=O)C2)cn1 ZINC000361292332 384353776 /nfs/dbraw/zinc/35/37/76/384353776.db2.gz CKFFYOLHACDCJY-JQWIXIFHSA-N 0 3 248.330 0.173 20 0 BCADHN CCOC[C@@H](O)CN1CCN(C)C[C@H]1C ZINC000300353685 384355457 /nfs/dbraw/zinc/35/54/57/384355457.db2.gz NDUPWOJCWIAVPZ-MNOVXSKESA-N 0 3 216.325 0.020 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)C[C@H]1CSCCN1 ZINC000300359689 384357982 /nfs/dbraw/zinc/35/79/82/384357982.db2.gz QNUSRLAXUVSIRV-KXUCPTDWSA-N 0 3 228.361 0.996 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H](O)C1(C)C ZINC000335593759 384360722 /nfs/dbraw/zinc/36/07/22/384360722.db2.gz PSDIOXQZGWSWRG-SECBINFHSA-N 0 3 214.309 0.310 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1c[nH]cn1 ZINC000084081103 384362108 /nfs/dbraw/zinc/36/21/08/384362108.db2.gz BXQBVKPIDFVAFV-CBAPKCEASA-N 0 3 210.281 0.399 20 0 BCADHN C[C@]1(CNC(=O)CN)CCCC[C@H]1O ZINC000237741928 384363826 /nfs/dbraw/zinc/36/38/26/384363826.db2.gz SZYOKBRRALHJOH-PSASIEDQSA-N 0 3 200.282 0.003 20 0 BCADHN O=C(CNCC1=CCCOC1)NCC1CC1 ZINC000134536251 384365621 /nfs/dbraw/zinc/36/56/21/384365621.db2.gz PWYUXIVHSZVOCS-UHFFFAOYSA-N 0 3 224.304 0.449 20 0 BCADHN COC(C)(C)CN(C)[C@H](C)C(=O)N(C)C ZINC000533482947 384366092 /nfs/dbraw/zinc/36/60/92/384366092.db2.gz PFKBEJJGZUWVMS-SECBINFHSA-N 0 3 216.325 0.820 20 0 BCADHN COC[C@@H]1CCN([C@H](C(=O)OC)C2CC2)C1 ZINC000084095129 384367339 /nfs/dbraw/zinc/36/73/39/384367339.db2.gz CPMMTODKYYZQMX-KOLCDFICSA-N 0 3 227.304 0.906 20 0 BCADHN CN(C)S(=O)(=O)CCN1CCCCCC1 ZINC000335555866 384325027 /nfs/dbraw/zinc/32/50/27/384325027.db2.gz NFSJGISHNQQFAE-UHFFFAOYSA-N 0 3 234.365 0.754 20 0 BCADHN CCCNC(=O)CN[C@H]1CO[C@@H](C)C1 ZINC000401954230 384328203 /nfs/dbraw/zinc/32/82/03/384328203.db2.gz WYSJQJKURYSZLX-DTWKUNHWSA-N 0 3 200.282 0.280 20 0 BCADHN COC(C)(C)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000335570382 384334493 /nfs/dbraw/zinc/33/44/93/384334493.db2.gz MSMUSJOYVFFHSL-ZDUSSCGKSA-N 0 3 240.347 0.966 20 0 BCADHN CNCC(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000560871605 384392065 /nfs/dbraw/zinc/39/20/65/384392065.db2.gz DQWCOSCBKNSHAM-UHFFFAOYSA-N 0 3 245.286 0.484 20 0 BCADHN C[C@@H](c1ccncc1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000625711044 384392432 /nfs/dbraw/zinc/39/24/32/384392432.db2.gz CNHXTWCVSRZICD-DRZSPHRISA-N 0 3 236.315 0.675 20 0 BCADHN CC(C)CCOCCN1C[C@@H](CO)[C@H](CO)C1 ZINC000625711112 384393266 /nfs/dbraw/zinc/39/32/66/384393266.db2.gz SHSZVFKUDOUZNX-STQMWFEESA-N 0 3 245.363 0.582 20 0 BCADHN CN(Cc1ccnc(N)c1)CC1CC(O)C1 ZINC000084452975 384398425 /nfs/dbraw/zinc/39/84/25/384398425.db2.gz OFROTIAQKDOJCK-UHFFFAOYSA-N 0 3 221.304 0.867 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1C ZINC000235446349 384404624 /nfs/dbraw/zinc/40/46/24/384404624.db2.gz INRGIUUCNRHXPM-NXEZZACHSA-N 0 3 249.314 0.587 20 0 BCADHN C[C@H](NCC(=O)NC1CC1)[C@H]1CCCO1 ZINC000035247578 384406362 /nfs/dbraw/zinc/40/63/62/384406362.db2.gz ZKRFFDDGJARWBL-WCBMZHEXSA-N 0 3 212.293 0.422 20 0 BCADHN CCN(C)CCNc1nc(OC)cc(OC)n1 ZINC000135002526 384407949 /nfs/dbraw/zinc/40/79/49/384407949.db2.gz BOWLQOSOJQUCBD-UHFFFAOYSA-N 0 3 240.307 0.857 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CCCN1CCCC1=O ZINC000530519333 384408030 /nfs/dbraw/zinc/40/80/30/384408030.db2.gz YOLFCUAHLNMISD-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN CN1CCC(O)(CNC(=O)[C@@]2(C)C[C@@H]2F)CC1 ZINC000335633993 384409007 /nfs/dbraw/zinc/40/90/07/384409007.db2.gz LJFUWRZYKGQOQO-ONGXEEELSA-N 0 3 244.310 0.307 20 0 BCADHN CN(C)CCNC(=O)c1ccc(N(C)C)nc1 ZINC000046116649 384419970 /nfs/dbraw/zinc/41/99/70/384419970.db2.gz OADQJKHUIGNWSA-UHFFFAOYSA-N 0 3 236.319 0.439 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000035787228 384420827 /nfs/dbraw/zinc/42/08/27/384420827.db2.gz LTKXTDXNYHPXQE-OPRDCNLKSA-N 0 3 214.309 0.606 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000120726495 384376990 /nfs/dbraw/zinc/37/69/90/384376990.db2.gz MQAREYBZAHXQAV-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@H](C)OC[C@@H]1CC ZINC000084200015 384380261 /nfs/dbraw/zinc/38/02/61/384380261.db2.gz RGUYXKAJAPLAEC-GUBZILKMSA-N 0 3 214.309 0.750 20 0 BCADHN CN1CCC(NC(=O)CC2(O)CCCC2)CC1 ZINC000304268145 384381355 /nfs/dbraw/zinc/38/13/55/384381355.db2.gz VVWFPQIVHHAXTM-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN Cn1nncc1CNCC1(CO)CCC1 ZINC000308901311 384383966 /nfs/dbraw/zinc/38/39/66/384383966.db2.gz BZYXTRNRXWEHSX-UHFFFAOYSA-N 0 3 210.281 0.067 20 0 BCADHN C[C@H]1OCC[C@]1(C)NCC(=O)N1CCC1 ZINC000335607820 384386029 /nfs/dbraw/zinc/38/60/29/384386029.db2.gz IYFQZJPCLZCAHI-KOLCDFICSA-N 0 3 212.293 0.376 20 0 BCADHN N[C@@H](C(=O)NC[C@@H]1CCCO1)C1CCC1 ZINC000331550614 384388898 /nfs/dbraw/zinc/38/88/98/384388898.db2.gz HUPXTVNQZCTKMQ-VHSXEESVSA-N 0 3 212.293 0.409 20 0 BCADHN CC[C@H](N[C@H](C)C(=O)NC(N)=O)[C@@H]1CCCO1 ZINC000248570687 384389553 /nfs/dbraw/zinc/38/95/53/384389553.db2.gz FZGJTSCCHHCHBX-VGMNWLOBSA-N 0 3 243.307 0.117 20 0 BCADHN C[C@@]1(C(=O)N2CCNC(C)(C)C2)C[C@@H]1F ZINC000335617785 384389896 /nfs/dbraw/zinc/38/98/96/384389896.db2.gz MUQCXKAAKGWKCZ-GZMMTYOYSA-N 0 3 214.284 0.945 20 0 BCADHN CCCNC(=O)CN[C@H](CO)[C@@H](C)CCC ZINC000564578551 384390121 /nfs/dbraw/zinc/39/01/21/384390121.db2.gz WYTGITRCCNOLHN-WDEREUQCSA-N 0 3 230.352 0.899 20 0 BCADHN C[C@@H](O)CN[C@@H](C)[C@H](O)C(F)(F)F ZINC000647514980 384444173 /nfs/dbraw/zinc/44/41/73/384444173.db2.gz KKWFSFQKIBXOIF-SRQIZXRXSA-N 0 3 201.188 0.269 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2ccn(C)c(=O)c2)[C@H]1C ZINC000262789849 384448544 /nfs/dbraw/zinc/44/85/44/384448544.db2.gz NCUINMAWYNIORV-UWVGGRQHSA-N 0 3 249.314 0.208 20 0 BCADHN CO[C@@H](C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000160930175 384449071 /nfs/dbraw/zinc/44/90/71/384449071.db2.gz CFKHYGKUWUZDNX-GXSJLCMTSA-N 0 3 222.288 0.838 20 0 BCADHN CCCNC(=O)C1(NCCO)CCCCC1 ZINC000078655528 384453678 /nfs/dbraw/zinc/45/36/78/384453678.db2.gz ZVYHYFXNYGBDFS-UHFFFAOYSA-N 0 3 228.336 0.797 20 0 BCADHN Cc1ncc(CNC[C@@]2(O)CCSC2)n1C ZINC000521371286 384428203 /nfs/dbraw/zinc/42/82/03/384428203.db2.gz BDPKOMJWEABXAC-NSHDSACASA-N 0 3 241.360 0.686 20 0 BCADHN CC[C@H]([NH3+])CNC(=O)c1ccccc1[O-] ZINC000082578670 384434929 /nfs/dbraw/zinc/43/49/29/384434929.db2.gz ORIYHZTWTBLFLH-QMMMGPOBSA-N 0 3 208.261 0.859 20 0 BCADHN CC[C@@H](C)N1CCN(CC(=O)NC(C)C)CC1 ZINC000181088322 384435542 /nfs/dbraw/zinc/43/55/42/384435542.db2.gz TYHHTBVNMUOMIQ-GFCCVEGCSA-N 0 3 241.379 0.927 20 0 BCADHN CCN1CCN(CC[C@@H]2CCNC2=O)[C@H](C)C1 ZINC000566423259 384439990 /nfs/dbraw/zinc/43/99/90/384439990.db2.gz COFQHIGWDMDHOU-NEPJUHHUSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@@H](CNC[C@@H](O)C(F)(F)F)N(C)C ZINC000082681062 384441736 /nfs/dbraw/zinc/44/17/36/384441736.db2.gz BMSODFTTYFXVLY-NKWVEPMBSA-N 0 3 214.231 0.449 20 0 BCADHN C[C@H](O)CN[C@@H](C)[C@@H](O)C(F)(F)F ZINC000647514974 384443436 /nfs/dbraw/zinc/44/34/36/384443436.db2.gz KKWFSFQKIBXOIF-HCWXCVPCSA-N 0 3 201.188 0.269 20 0 BCADHN CCN(CCCO)Cc1cccc(C(N)=O)c1 ZINC000135421301 384443940 /nfs/dbraw/zinc/44/39/40/384443940.db2.gz YPHWTZXKLIHRCS-UHFFFAOYSA-N 0 3 236.315 0.990 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCc2n[nH]cc2C1 ZINC000335658122 384460194 /nfs/dbraw/zinc/46/01/94/384460194.db2.gz VQTWUXXFJVXJLL-KWQFWETISA-N 0 3 236.319 0.668 20 0 BCADHN CC[C@@H](N)C(=O)N(C)Cc1cccnc1 ZINC000036871780 384461050 /nfs/dbraw/zinc/46/10/50/384461050.db2.gz BPRAQNDDSQWSPT-SNVBAGLBSA-N 0 3 207.277 0.777 20 0 BCADHN CC[C@H](N)C(=O)NCCCn1ccnc1 ZINC000036871551 384462482 /nfs/dbraw/zinc/46/24/82/384462482.db2.gz VMVMEKMORAWEMF-VIFPVBQESA-N 0 3 210.281 0.127 20 0 BCADHN CC(C)CS(=O)(=O)C(C)C(=O)NC1CC1 ZINC000076214105 384463451 /nfs/dbraw/zinc/46/34/51/384463451.db2.gz IZFKREBBFYPXCL-MRVPVSSYSA-N 0 3 233.333 0.724 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)[C@H]2C[C@@H]2C2CC2)C1 ZINC000556730489 384465035 /nfs/dbraw/zinc/46/50/35/384465035.db2.gz FULWPNNGXKCBOG-NTZNESFSSA-N 0 3 238.331 0.215 20 0 BCADHN Cn1cc(NC(=O)[C@@]2(C)CCCCN2)ccc1=O ZINC000136167199 384485447 /nfs/dbraw/zinc/48/54/47/384485447.db2.gz FJFSOIOKWOGKTO-CYBMUJFWSA-N 0 3 249.314 0.856 20 0 BCADHN COc1ncncc1CNC[C@@H](C)CO ZINC000647175033 384469919 /nfs/dbraw/zinc/46/99/19/384469919.db2.gz UZLCLILGVFZGMT-MRVPVSSYSA-N 0 3 211.265 0.203 20 0 BCADHN C[C@H]1CCC[N@@H+]1CCCOC([O-])=NC(N)=O ZINC000180524144 384473771 /nfs/dbraw/zinc/47/37/71/384473771.db2.gz IDHQDEDDKWVMDH-QMMMGPOBSA-N 0 3 229.280 0.666 20 0 BCADHN C[C@H]1CCC[N@H+]1CCCOC([O-])=NC(N)=O ZINC000180524144 384473776 /nfs/dbraw/zinc/47/37/76/384473776.db2.gz IDHQDEDDKWVMDH-QMMMGPOBSA-N 0 3 229.280 0.666 20 0 BCADHN C[C@H]1CCC[N@@H+]1CCCOC(=O)N=C(N)[O-] ZINC000180524144 384473781 /nfs/dbraw/zinc/47/37/81/384473781.db2.gz IDHQDEDDKWVMDH-QMMMGPOBSA-N 0 3 229.280 0.666 20 0 BCADHN C[C@H]1CCC[N@H+]1CCCOC(=O)N=C(N)[O-] ZINC000180524144 384473790 /nfs/dbraw/zinc/47/37/90/384473790.db2.gz IDHQDEDDKWVMDH-QMMMGPOBSA-N 0 3 229.280 0.666 20 0 BCADHN CN1CC[C@@H](C(=O)N2CCn3nccc32)C1 ZINC000556761280 384474093 /nfs/dbraw/zinc/47/40/93/384474093.db2.gz TVDDQQKTENIQRN-SECBINFHSA-N 0 3 220.276 0.181 20 0 BCADHN O=C(Nc1ccccn1)[C@@H]1CCCN(CCO)C1 ZINC000363347509 384477394 /nfs/dbraw/zinc/47/73/94/384477394.db2.gz IOHBEFMCWVIZAJ-LLVKDONJSA-N 0 3 249.314 0.724 20 0 BCADHN CC1(C)CCC[C@H](NC(=O)C(=O)NCCN)C1 ZINC000149221208 384478067 /nfs/dbraw/zinc/47/80/67/384478067.db2.gz GOVOZWUDSPUEAZ-VIFPVBQESA-N 0 3 241.335 0.146 20 0 BCADHN CC(C)[C@H](C)CNC(=O)C1(N)CCOCC1 ZINC000149737559 384483614 /nfs/dbraw/zinc/48/36/14/384483614.db2.gz OMVWEDGQNWMYSJ-SNVBAGLBSA-N 0 3 228.336 0.903 20 0 BCADHN CC[C@H](N)C(=O)NCCc1ccccn1 ZINC000036871444 384458944 /nfs/dbraw/zinc/45/89/44/384458944.db2.gz SZUUHWMNCHUPNI-JTQLQIEISA-N 0 3 207.277 0.478 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)c1csnn1 ZINC000648146838 384495451 /nfs/dbraw/zinc/49/54/51/384495451.db2.gz FKMVKUVVPQNYQL-LURJTMIESA-N 0 3 248.258 0.265 20 0 BCADHN O=C1CCN(CCc2ccncc2)CCN1 ZINC000122588695 384495825 /nfs/dbraw/zinc/49/58/25/384495825.db2.gz OZGFNAUDMJPLME-UHFFFAOYSA-N 0 3 219.288 0.446 20 0 BCADHN CSC[C@H](O)CN1CCC[C@@H](NC(C)=O)C1 ZINC000249136262 384496617 /nfs/dbraw/zinc/49/66/17/384496617.db2.gz HIIKHWSHLIKPEN-GHMZBOCLSA-N 0 3 246.376 0.311 20 0 BCADHN O=C(C[C@H]1CSCCN1)N[C@@H]1CC12CC2 ZINC000335030766 384499835 /nfs/dbraw/zinc/49/98/35/384499835.db2.gz RFNDRNBMXGIJCQ-DTWKUNHWSA-N 0 3 226.345 0.750 20 0 BCADHN CC[C@@H](N)C(=O)NCCCOC(C)C ZINC000040830576 384502019 /nfs/dbraw/zinc/50/20/19/384502019.db2.gz COOZCEGNTVCFNL-SECBINFHSA-N 0 3 202.298 0.655 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](C)COC ZINC000037481210 384502833 /nfs/dbraw/zinc/50/28/33/384502833.db2.gz ZCGNIKDQEJWYNN-PSASIEDQSA-N 0 3 202.298 0.655 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC[C@@H]1CC(C)C ZINC000353154461 384511828 /nfs/dbraw/zinc/51/18/28/384511828.db2.gz RTYNFIYSFOOIMY-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN O=C1NCCCC[C@@H]1N1CCCC[C@H](CO)C1 ZINC000363479346 384503230 /nfs/dbraw/zinc/50/32/30/384503230.db2.gz REWQUMXGSVOKGJ-RYUDHWBXSA-N 0 3 240.347 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ZINC000172496683 384597452 /nfs/dbraw/zinc/59/74/52/384597452.db2.gz WWXDMYLIIFXFOG-BDAKNGLRSA-N 0 3 231.317 0.644 20 0 BCADHN CO[C@H](C)CN(C)C[C@@H]1CN(C)C(=O)O1 ZINC000496237085 533080717 /nfs/dbraw/zinc/08/07/17/533080717.db2.gz YOBWXIOCXLILRB-RKDXNWHRSA-N 0 3 216.281 0.404 20 0 BCADHN C[C@H](CN[C@@H]1CCC[C@]1(C)CO)S(C)(=O)=O ZINC000647528817 384600982 /nfs/dbraw/zinc/60/09/82/384600982.db2.gz IOSIEOGAZRFZJG-GMTAPVOTSA-N 0 3 249.376 0.560 20 0 BCADHN CCO[N-]C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086573153 384662893 /nfs/dbraw/zinc/66/28/93/384662893.db2.gz JWJORKMQYPAEFU-PBINXNQUSA-N 0 3 212.293 0.975 20 0 BCADHN Cc1c(CN[C@@H]2CCCOC2)cnn1C ZINC000086552094 384663211 /nfs/dbraw/zinc/66/32/11/384663211.db2.gz UFCSCYNJAALHCS-LLVKDONJSA-N 0 3 209.293 0.997 20 0 BCADHN Cc1nc(CN[C@@H]2CCO[C@H]2C2CC2)n[nH]1 ZINC000309845576 384663563 /nfs/dbraw/zinc/66/35/63/384663563.db2.gz GJSCIHFDPLVTIG-KOLCDFICSA-N 0 3 222.292 0.770 20 0 BCADHN Cc1cnn(C)c1CNCCCc1ncn(C)n1 ZINC000647231952 384669902 /nfs/dbraw/zinc/66/99/02/384669902.db2.gz ZJFZGYCODWRWRR-UHFFFAOYSA-N 0 3 248.334 0.579 20 0 BCADHN CC(C)[C@H](CO)C(=O)NC1CCN(C)CC1 ZINC000258799821 384670360 /nfs/dbraw/zinc/67/03/60/384670360.db2.gz PALYAYCVCVTHLF-NSHDSACASA-N 0 3 228.336 0.461 20 0 BCADHN CCC1(CC)[C@@H](NC(=O)CNC)C[C@@H]1OC ZINC000236860187 384672155 /nfs/dbraw/zinc/67/21/55/384672155.db2.gz IWAFMZUEBVPIMR-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN COc1ncncc1CNC[C@@H]1CCC[C@H]1O ZINC000647188190 384635600 /nfs/dbraw/zinc/63/56/00/384635600.db2.gz VRTNKUIHSSPRHY-GXSJLCMTSA-N 0 3 237.303 0.736 20 0 BCADHN COc1ncncc1CNC(C)(C)CCO ZINC000647187839 384636044 /nfs/dbraw/zinc/63/60/44/384636044.db2.gz YLQINYGBMPKAQS-UHFFFAOYSA-N 0 3 225.292 0.736 20 0 BCADHN COC(=O)c1ccc(CN[C@H](C)CO)[nH]1 ZINC000086329636 384639228 /nfs/dbraw/zinc/63/92/28/384639228.db2.gz ALCDOVHUMCCFDT-SSDOTTSWSA-N 0 3 212.249 0.272 20 0 BCADHN CC(C)c1csc(CNC(=O)CN)n1 ZINC000082257303 384652883 /nfs/dbraw/zinc/65/28/83/384652883.db2.gz XTPPWJUFVZGNTG-UHFFFAOYSA-N 0 3 213.306 0.841 20 0 BCADHN CC[C@@H](O)CNCc1cccc(CO)n1 ZINC000647535581 384653160 /nfs/dbraw/zinc/65/31/60/384653160.db2.gz RYMRAKSYPBTAAW-LLVKDONJSA-N 0 3 210.277 0.434 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000082255908 384653550 /nfs/dbraw/zinc/65/35/50/384653550.db2.gz JHTBHHYNDRCQTA-XCBNKYQSSA-N 0 3 242.706 0.837 20 0 BCADHN C[C@H](N)C(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000082255907 384654060 /nfs/dbraw/zinc/65/40/60/384654060.db2.gz JHTBHHYNDRCQTA-XVKPBYJWSA-N 0 3 242.706 0.837 20 0 BCADHN CO[C@H](C)CN1CCN(C[C@H](C)O)CC1 ZINC000487916816 533084108 /nfs/dbraw/zinc/08/41/08/533084108.db2.gz MUKFQFWWWPLAIT-WDEREUQCSA-N 0 3 216.325 0.020 20 0 BCADHN CN(C)CCNC(=O)c1cnn(C(C)(C)C)c1 ZINC000082272109 384655760 /nfs/dbraw/zinc/65/57/60/384655760.db2.gz YJRPTFZKFJPVKC-UHFFFAOYSA-N 0 3 238.335 0.930 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC000044560280 384658093 /nfs/dbraw/zinc/65/80/93/384658093.db2.gz HFKGIQYTJHTOPJ-SECBINFHSA-N 0 3 222.292 0.481 20 0 BCADHN CC[C@](C)(O)CN[C@H](CO)c1cnn(C)c1 ZINC000309840032 384660093 /nfs/dbraw/zinc/66/00/93/384660093.db2.gz CSPDFBNSORFFNR-MNOVXSKESA-N 0 3 227.308 0.204 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@@H](C)C[C@H](C)O ZINC000336748380 384660427 /nfs/dbraw/zinc/66/04/27/384660427.db2.gz CLJLNJIUARHWRI-AEJSXWLSSA-N 0 3 237.365 0.416 20 0 BCADHN C[C@H](O)CNCc1cc(C(N)=O)cs1 ZINC000086573603 384660938 /nfs/dbraw/zinc/66/09/38/384660938.db2.gz NPWOLMSDMWYDQQ-LURJTMIESA-N 0 3 214.290 0.317 20 0 BCADHN CCn1nccc1CNCCCc1ncn(C)n1 ZINC000647231458 384661446 /nfs/dbraw/zinc/66/14/46/384661446.db2.gz ZYWMZEPAQKDWFL-UHFFFAOYSA-N 0 3 248.334 0.754 20 0 BCADHN C[C@@H](O)CNCc1cc(C(N)=O)cs1 ZINC000086573604 384661476 /nfs/dbraw/zinc/66/14/76/384661476.db2.gz NPWOLMSDMWYDQQ-ZCFIWIBFSA-N 0 3 214.290 0.317 20 0 BCADHN Cc1c(CNC[C@H](CO)C2CC2)cnn1C ZINC000309926633 384724903 /nfs/dbraw/zinc/72/49/03/384724903.db2.gz VNIGJHJGQVGUIR-GFCCVEGCSA-N 0 3 223.320 0.837 20 0 BCADHN Cc1nn(C)cc1CNCC1([S@@](C)=O)CC1 ZINC000309873105 384680908 /nfs/dbraw/zinc/68/09/08/384680908.db2.gz RKUPSDUTLIFOIW-MRXNPFEDSA-N 0 3 241.360 0.729 20 0 BCADHN CCO[C@@H]1C[C@H](O)C12CCN(CCCO)CC2 ZINC000304321279 384681729 /nfs/dbraw/zinc/68/17/29/384681729.db2.gz ITWZECBSMFDIIN-NWDGAFQWSA-N 0 3 243.347 0.621 20 0 BCADHN COC(=O)CCN1CCOC[C@H](C)C1 ZINC000374359162 384682295 /nfs/dbraw/zinc/68/22/95/384682295.db2.gz NEFJCJABFLZSKF-SECBINFHSA-N 0 3 201.266 0.518 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCO[C@H](C)C1 ZINC000300359136 384685942 /nfs/dbraw/zinc/68/59/42/384685942.db2.gz NAXFQGGYGHGUSA-HBNTYKKESA-N 0 3 249.376 0.967 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000300358753 384686459 /nfs/dbraw/zinc/68/64/59/384686459.db2.gz LBCLCOYPCZNWTR-MIMYLULJSA-N 0 3 247.360 0.577 20 0 BCADHN CCc1cc(C(=O)N2CCNC[C@H]2C)n[nH]1 ZINC000124914159 384686932 /nfs/dbraw/zinc/68/69/32/384686932.db2.gz DBJCNBHDGBRNCC-MRVPVSSYSA-N 0 3 222.292 0.406 20 0 BCADHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CC(N)=O ZINC000408141752 384692608 /nfs/dbraw/zinc/69/26/08/384692608.db2.gz XXVLAPHPPUTWFL-SECBINFHSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@H](O)CN(C)Cc1ccc(C(N)=O)cc1 ZINC000051821666 384694106 /nfs/dbraw/zinc/69/41/06/384694106.db2.gz NQBYVYMAKICHLE-VIFPVBQESA-N 0 3 222.288 0.598 20 0 BCADHN CO[C@@H]1CCC[C@H]1NCC(=O)N(C)C1CC1 ZINC000050372678 384694786 /nfs/dbraw/zinc/69/47/86/384694786.db2.gz YBKFSVFTCNYUAK-GHMZBOCLSA-N 0 3 226.320 0.764 20 0 BCADHN COc1nn(C)cc1NC1CCN(C)CC1 ZINC000309892574 384694964 /nfs/dbraw/zinc/69/49/64/384694964.db2.gz DHTHSQNLXASJLP-UHFFFAOYSA-N 0 3 224.308 0.935 20 0 BCADHN CSCC[C@@H](N)C(=O)NC[C@@H](C)SC ZINC000157945035 384699839 /nfs/dbraw/zinc/69/98/39/384699839.db2.gz SNILOKZVUDDMDF-HTQZYQBOSA-N 0 3 236.406 0.935 20 0 BCADHN Cc1cn[nH]c1CN[C@H]1CCCS(=O)(=O)C1 ZINC000309902609 384702660 /nfs/dbraw/zinc/70/26/60/384702660.db2.gz IOAQVSRVNOVWIX-VIFPVBQESA-N 0 3 243.332 0.385 20 0 BCADHN CO[C@H](C)CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000487914709 533084638 /nfs/dbraw/zinc/08/46/38/533084638.db2.gz KYVSEYFRCHKIQN-NWDGAFQWSA-N 0 3 244.379 0.798 20 0 BCADHN CO[C@H](C)CN1CCN(CCO)[C@@H](C)C1 ZINC000487926253 533084750 /nfs/dbraw/zinc/08/47/50/533084750.db2.gz BULVDKSTDPWGQL-WDEREUQCSA-N 0 3 216.325 0.020 20 0 BCADHN O=C(C[C@H]1CNCCO1)N[C@@H]1CC12CC2 ZINC000335277272 384706831 /nfs/dbraw/zinc/70/68/31/384706831.db2.gz LXEFXMDWEZYPHD-DTWKUNHWSA-N 0 3 210.277 0.034 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCC(=O)N(C)C1)N(C)C ZINC000125285130 384707704 /nfs/dbraw/zinc/70/77/04/384707704.db2.gz HDQBDHPFOLRLMM-VHSXEESVSA-N 0 3 241.335 0.064 20 0 BCADHN Cc1nn(C)cc1CN[C@@H]1CCCOC1 ZINC000126032023 384727471 /nfs/dbraw/zinc/72/74/71/384727471.db2.gz YZJWCEIYYSKJMQ-LLVKDONJSA-N 0 3 209.293 0.997 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H](c2nccn2C)C1 ZINC000533866430 384710707 /nfs/dbraw/zinc/71/07/07/384710707.db2.gz FZGOVAJNCUHDAW-NXEZZACHSA-N 0 3 236.319 0.473 20 0 BCADHN COC(CN1CCN2CCC[C@@H]2C1)OC ZINC000086933092 384720637 /nfs/dbraw/zinc/72/06/37/384720637.db2.gz QZYDFQGALPPXQU-SNVBAGLBSA-N 0 3 214.309 0.385 20 0 BCADHN COCCN(CCOC)CC[C@H]1CCNC1=O ZINC000564402193 384728048 /nfs/dbraw/zinc/72/80/48/384728048.db2.gz BHHNKMKPSHQLLO-LLVKDONJSA-N 0 3 244.335 0.107 20 0 BCADHN COC[C@@H](C)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000309246170 384774479 /nfs/dbraw/zinc/77/44/79/384774479.db2.gz ZFCHIJWULVCKLO-BDAKNGLRSA-N 0 3 235.349 0.577 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000105327494 384775951 /nfs/dbraw/zinc/77/59/51/384775951.db2.gz OEPXCNWGQSXVTO-GXSJLCMTSA-N 0 3 241.335 0.064 20 0 BCADHN Cc1cc(CC(=O)N2CCN[C@H](C)[C@H]2C)[nH]n1 ZINC000262739723 384776011 /nfs/dbraw/zinc/77/60/11/384776011.db2.gz DKGOECDIQZEMLJ-NXEZZACHSA-N 0 3 236.319 0.469 20 0 BCADHN CN1CC[C@@H](c2nc(C3(N)CCC3)no2)C1 ZINC000518183948 384776313 /nfs/dbraw/zinc/77/63/13/384776313.db2.gz QZRQSJKZQOCXPF-MRVPVSSYSA-N 0 3 222.292 0.827 20 0 BCADHN CC[C@H](CCO)CNCc1ccnn1C ZINC000087362966 384776367 /nfs/dbraw/zinc/77/63/67/384776367.db2.gz XLGKWIRSKGDHDL-SNVBAGLBSA-N 0 3 211.309 0.918 20 0 BCADHN CC[C@H](COC)N[C@H](C)c1ccc(=O)[nH]n1 ZINC000310003555 384777627 /nfs/dbraw/zinc/77/76/27/384777627.db2.gz FQSZEZRXRBFFAC-RKDXNWHRSA-N 0 3 225.292 0.846 20 0 BCADHN C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CCNC1 ZINC000310003258 384778219 /nfs/dbraw/zinc/77/82/19/384778219.db2.gz FOVIUKKLDLXEJQ-LDYMZIIASA-N 0 3 214.284 0.945 20 0 BCADHN CN[C@@H](C)C(=O)N(CCC(=O)OC)CC(C)C ZINC000054075290 384729109 /nfs/dbraw/zinc/72/91/09/384729109.db2.gz VSNIBBXONZUKGX-JTQLQIEISA-N 0 3 244.335 0.642 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccc(NC(C)=O)cc1 ZINC000054076339 384731351 /nfs/dbraw/zinc/73/13/51/384731351.db2.gz XNFXFIJVVFYURV-VIFPVBQESA-N 0 3 249.314 0.869 20 0 BCADHN COc1cccc(C(=O)NC[C@H](C)C[NH3+])c1[O-] ZINC000054140042 384734427 /nfs/dbraw/zinc/73/44/27/384734427.db2.gz XEFJBIKYWUBTRS-MRVPVSSYSA-N 0 3 238.287 0.725 20 0 BCADHN C[C@H]1CN(c2ccnc(C(N)=O)c2)[C@@H](C)CN1C ZINC000408434786 384738850 /nfs/dbraw/zinc/73/88/50/384738850.db2.gz IOBDSUKNVBLYDV-UWVGGRQHSA-N 0 3 248.330 0.709 20 0 BCADHN c1ccc(CNC[C@@H]2COCCO2)nc1 ZINC000037998084 384738998 /nfs/dbraw/zinc/73/89/98/384738998.db2.gz LEVAOXRVPVYMBD-LLVKDONJSA-N 0 3 208.261 0.587 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)[nH]n1 ZINC000083118180 384739831 /nfs/dbraw/zinc/73/98/31/384739831.db2.gz PZBZUXNYCOJQSE-RKDXNWHRSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)n[nH]1 ZINC000083118180 384739837 /nfs/dbraw/zinc/73/98/37/384739837.db2.gz PZBZUXNYCOJQSE-RKDXNWHRSA-N 0 3 222.292 0.541 20 0 BCADHN c1ccc(CNC[C@H]2COCCO2)nc1 ZINC000037998085 384740482 /nfs/dbraw/zinc/74/04/82/384740482.db2.gz LEVAOXRVPVYMBD-NSHDSACASA-N 0 3 208.261 0.587 20 0 BCADHN Nc1ncccc1CN1CCC[C@H](CO)C1 ZINC000052709483 384741285 /nfs/dbraw/zinc/74/12/85/384741285.db2.gz XMQKMSMFUBGOQI-JTQLQIEISA-N 0 3 221.304 0.868 20 0 BCADHN Cc1ccc(CNC[C@]2(O)CCOC2)o1 ZINC000126181426 384741809 /nfs/dbraw/zinc/74/18/09/384741809.db2.gz VTTCPQQJOFMBGN-LLVKDONJSA-N 0 3 211.261 0.829 20 0 BCADHN CO[C@H]1C[C@H](NCC(=O)NC2CC2)C1(C)C ZINC000300385937 384744083 /nfs/dbraw/zinc/74/40/83/384744083.db2.gz KULGNSGHDAVWKP-UWVGGRQHSA-N 0 3 226.320 0.668 20 0 BCADHN Cn1cccc1CNC[C@@]1(O)CCOC1 ZINC000126182109 384745721 /nfs/dbraw/zinc/74/57/21/384745721.db2.gz OWDITNQBPUAXCK-NSHDSACASA-N 0 3 210.277 0.266 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NCC2(CO)CC2)C1 ZINC000167471258 384750522 /nfs/dbraw/zinc/75/05/22/384750522.db2.gz NFSNHHSZYYWFFM-NXEZZACHSA-N 0 3 226.320 0.263 20 0 BCADHN COC(=O)c1ccc(CNC[C@H](C)CO)o1 ZINC000083217660 384750916 /nfs/dbraw/zinc/75/09/16/384750916.db2.gz DLXUWOVIMRTVCL-QMMMGPOBSA-N 0 3 227.260 0.784 20 0 BCADHN COC(=O)c1ccc(CNC[C@@H](C)CO)o1 ZINC000083217662 384752061 /nfs/dbraw/zinc/75/20/61/384752061.db2.gz DLXUWOVIMRTVCL-MRVPVSSYSA-N 0 3 227.260 0.784 20 0 BCADHN C[C@@](N)(C(=O)N1CCNCC1)c1ccccc1 ZINC000052881572 384754127 /nfs/dbraw/zinc/75/41/27/384754127.db2.gz LXXONHWKJMPFRD-ZDUSSCGKSA-N 0 3 233.315 0.292 20 0 BCADHN CCN(CCc1nccs1)C(=O)[C@@H](C)N ZINC000157990845 384758967 /nfs/dbraw/zinc/75/89/67/384758967.db2.gz ZSPIPTRLMSJNIL-MRVPVSSYSA-N 0 3 227.333 0.881 20 0 BCADHN CC[C@@H](CCO)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000309991053 384760722 /nfs/dbraw/zinc/76/07/22/384760722.db2.gz BASKSHCYSDLXHQ-IUCAKERBSA-N 0 3 225.292 0.582 20 0 BCADHN CC(C)C(=O)NC[C@@H]1CCCCN1CCO ZINC000331328285 384762062 /nfs/dbraw/zinc/76/20/62/384762062.db2.gz NODIOAIHSYQJPA-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CCOc1ccc(CNC(=O)CN)cc1OC ZINC000083365710 384764491 /nfs/dbraw/zinc/76/44/91/384764491.db2.gz QMHUUYIAYXLSGG-UHFFFAOYSA-N 0 3 238.287 0.669 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2cccc(O)c2)C1 ZINC000334987621 384765122 /nfs/dbraw/zinc/76/51/22/384765122.db2.gz ZXTOHGZGKRJZGD-LLVKDONJSA-N 0 3 234.299 0.960 20 0 BCADHN CCN(CCO)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000105266515 384765395 /nfs/dbraw/zinc/76/53/95/384765395.db2.gz RONAQNJZSOCWQQ-JTQLQIEISA-N 0 3 243.351 0.493 20 0 BCADHN CC[C@H](F)CN[C@@H]1CCC(=O)N[C@@H]1C ZINC000336666519 384766911 /nfs/dbraw/zinc/76/69/11/384766911.db2.gz VUXILOQMHDADJD-HRDYMLBCSA-N 0 3 202.273 0.991 20 0 BCADHN Cc1ccc(C(=O)NCCN(C)C)n1C ZINC000053366202 384766944 /nfs/dbraw/zinc/76/69/44/384766944.db2.gz DXSOEVWJFJDRLP-UHFFFAOYSA-N 0 3 209.293 0.625 20 0 BCADHN CC[C@H](N)C(=O)NCc1cccc(C(=O)NC)c1 ZINC000145107515 384768936 /nfs/dbraw/zinc/76/89/36/384768936.db2.gz YYPGVUSXUYRZBC-NSHDSACASA-N 0 3 249.314 0.400 20 0 BCADHN Cc1nn(C)cc1CNCCSCCCO ZINC000126233248 384780564 /nfs/dbraw/zinc/78/05/64/384780564.db2.gz GZXFXGGECDZCQB-UHFFFAOYSA-N 0 3 243.376 0.934 20 0 BCADHN CCN(C[C@H]1CCCO1)C(=O)[C@H](C)N ZINC000042470690 384816101 /nfs/dbraw/zinc/81/61/01/384816101.db2.gz WRECQCAWDDLHIL-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN CNCC(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000083913424 384816468 /nfs/dbraw/zinc/81/64/68/384816468.db2.gz XQJBGSQLVIBXQD-GFCCVEGCSA-N 0 3 247.342 0.991 20 0 BCADHN N[C@H](C(=O)N[C@@H]1CCCOCC1)C1CCC1 ZINC000335654581 384817967 /nfs/dbraw/zinc/81/79/67/384817967.db2.gz VJTFYQGSZHPNCP-MNOVXSKESA-N 0 3 226.320 0.799 20 0 BCADHN CCN(C)CCNC(=O)[C@H](N)Cc1ccccc1 ZINC000054133106 384821061 /nfs/dbraw/zinc/82/10/61/384821061.db2.gz ZCKUFTKYWKYARO-CYBMUJFWSA-N 0 3 249.358 0.624 20 0 BCADHN CCN(C)CCNC(=O)c1ccc(NC)nc1 ZINC000054132350 384821136 /nfs/dbraw/zinc/82/11/36/384821136.db2.gz CPRLWQGYGUJRPD-UHFFFAOYSA-N 0 3 236.319 0.805 20 0 BCADHN NCC(=O)NC1CCN(c2ccccc2)CC1 ZINC000083939332 384822818 /nfs/dbraw/zinc/82/28/18/384822818.db2.gz UEVCWGHRECBHFI-UHFFFAOYSA-N 0 3 233.315 0.730 20 0 BCADHN CCN(C)CCNC(=O)c1cccc(N)n1 ZINC000054132367 384822925 /nfs/dbraw/zinc/82/29/25/384822925.db2.gz WTFSOXOZCJBBSN-UHFFFAOYSA-N 0 3 222.292 0.345 20 0 BCADHN C[C@@H](NC(=O)C1(N)CCC1)c1cnn(C)c1 ZINC000304400633 384824011 /nfs/dbraw/zinc/82/40/11/384824011.db2.gz VVPXQZIZGMQJTN-MRVPVSSYSA-N 0 3 222.292 0.479 20 0 BCADHN C[C@@H](CCS(C)(=O)=O)NCc1ccn(C)c1 ZINC000126745650 384825501 /nfs/dbraw/zinc/82/55/01/384825501.db2.gz QLGDFFLYLVULEC-JTQLQIEISA-N 0 3 244.360 0.938 20 0 BCADHN C[C@@](O)(CN[C@@H]1CCOC1)C(F)(F)F ZINC000308585066 384828083 /nfs/dbraw/zinc/82/80/83/384828083.db2.gz RJWAJOZUKWISAS-RNFRBKRXSA-N 0 3 213.199 0.678 20 0 BCADHN C[C@H](NCCC1OCCO1)c1cnn(C)c1 ZINC000126908268 384829786 /nfs/dbraw/zinc/82/97/86/384829786.db2.gz ACQIUIUITVFWPC-VIFPVBQESA-N 0 3 225.292 0.834 20 0 BCADHN C[C@H](NCc1ccn(C)n1)[C@@H]1CCOC1 ZINC000127057940 384833536 /nfs/dbraw/zinc/83/35/36/384833536.db2.gz URSDSJWPGHZJAW-VHSXEESVSA-N 0 3 209.293 0.935 20 0 BCADHN COCCCN1CCN(CCO)[C@@H](C)C1 ZINC000426484288 384834206 /nfs/dbraw/zinc/83/42/06/384834206.db2.gz FYJBRKXBRAUXPW-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN CC[C@@H](OC)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449658669 384835552 /nfs/dbraw/zinc/83/55/52/384835552.db2.gz BQUWUCUDALOELX-HTQZYQBOSA-N 0 3 236.262 0.525 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@H](N)CC(F)F ZINC000518188261 384782409 /nfs/dbraw/zinc/78/24/09/384782409.db2.gz LQOQSUQYCHQVDQ-XLPZGREQSA-N 0 3 235.278 0.178 20 0 BCADHN C[C@@H]1NCCN(C(=O)[C@@H](N)CC(F)F)[C@H]1C ZINC000518188259 384783535 /nfs/dbraw/zinc/78/35/35/384783535.db2.gz LQOQSUQYCHQVDQ-FXQIFTODSA-N 0 3 235.278 0.178 20 0 BCADHN NCc1cccc(NC(=O)CN2CCCC2=O)c1 ZINC000022176868 384784695 /nfs/dbraw/zinc/78/46/95/384784695.db2.gz SAIYJCUFYDTMHB-UHFFFAOYSA-N 0 3 247.298 0.706 20 0 BCADHN CC[C@@H](C)N(CCO)CC(=O)N(C)C ZINC000308530706 384784897 /nfs/dbraw/zinc/78/48/97/384784897.db2.gz KSGGBWNICVNRQC-SECBINFHSA-N 0 3 202.298 0.167 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NCC1CCC1 ZINC000308522936 384786460 /nfs/dbraw/zinc/78/64/60/384786460.db2.gz ZAIQXJWMTQMVHP-ZETCQYMHSA-N 0 3 206.236 0.885 20 0 BCADHN CC[C@H](N)C(=O)NCc1nc(C)cs1 ZINC000038091373 384793500 /nfs/dbraw/zinc/79/35/00/384793500.db2.gz JFGDLEDHIGPATC-ZETCQYMHSA-N 0 3 213.306 0.805 20 0 BCADHN COC[C@H](NCc1cnn(C)c1)C1CC1 ZINC000087479424 384793711 /nfs/dbraw/zinc/79/37/11/384793711.db2.gz YRSIJQWHWVQTFE-NSHDSACASA-N 0 3 209.293 0.935 20 0 BCADHN COC[C@H](O)CN1CCC([C@H](C)O)CC1 ZINC000126759397 384801150 /nfs/dbraw/zinc/80/11/50/384801150.db2.gz XWEYLKJZTGWKJJ-GXSJLCMTSA-N 0 3 217.309 0.087 20 0 BCADHN NC1(C(=O)NCCOC2CCCCC2)CC1 ZINC000083836227 384801780 /nfs/dbraw/zinc/80/17/80/384801780.db2.gz GGPYYUQMFZXGJV-UHFFFAOYSA-N 0 3 226.320 0.943 20 0 BCADHN CC[C@H]1CN(CC)CCN1C[C@@H](C)O ZINC000105826922 384803644 /nfs/dbraw/zinc/80/36/44/384803644.db2.gz KMZZQGNBCCXIGF-MNOVXSKESA-N 0 3 200.326 0.783 20 0 BCADHN CC[C@@H](C[C@@H](C)CO)NCc1cnnn1C ZINC000310037591 384805324 /nfs/dbraw/zinc/80/53/24/384805324.db2.gz VGZRZHTZRLVPNS-ZJUUUORDSA-N 0 3 226.324 0.702 20 0 BCADHN COC(=O)CCCN1CCN(C2CC2)CC1 ZINC000042490611 384808157 /nfs/dbraw/zinc/80/81/57/384808157.db2.gz IYZDFUHEFCADFD-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN C[C@H](N)C(=O)NCCN1CCc2ccccc2C1 ZINC000083883657 384809292 /nfs/dbraw/zinc/80/92/92/384809292.db2.gz FSNSYVFRRNBQPI-NSHDSACASA-N 0 3 247.342 0.508 20 0 BCADHN CNCC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000083884453 384809351 /nfs/dbraw/zinc/80/93/51/384809351.db2.gz WEEPBOFQEOMULV-UHFFFAOYSA-N 0 3 235.243 0.175 20 0 BCADHN Cc1ccn(CC(=O)N[C@H]2CCN(C3CC3)C2)n1 ZINC000648192711 384809804 /nfs/dbraw/zinc/80/98/04/384809804.db2.gz WOCFLNDGVIUOGI-NSHDSACASA-N 0 3 248.330 0.544 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000083888877 384811820 /nfs/dbraw/zinc/81/18/20/384811820.db2.gz QFNZZLOKMHNTCD-ZCFIWIBFSA-N 0 3 235.243 0.417 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000083888876 384811839 /nfs/dbraw/zinc/81/18/39/384811839.db2.gz QFNZZLOKMHNTCD-LURJTMIESA-N 0 3 235.243 0.417 20 0 BCADHN COCCNCC(=O)NC[C@@H](C)CC(F)F ZINC000648194339 384812562 /nfs/dbraw/zinc/81/25/62/384812562.db2.gz ZMXDGEYQFDXEDQ-QMMMGPOBSA-N 0 3 238.278 0.630 20 0 BCADHN C[C@@H](CNC(=O)C1(N)CC1)CC(F)F ZINC000648193874 384812897 /nfs/dbraw/zinc/81/28/97/384812897.db2.gz NCMFHKGHUKPBJG-ZCFIWIBFSA-N 0 3 206.236 0.885 20 0 BCADHN CC[C@H](N)C(=O)N(C)C[C@@H]1CCCO1 ZINC000042465867 384814098 /nfs/dbraw/zinc/81/40/98/384814098.db2.gz FMRXGQGKGBHDEQ-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000648195736 384814280 /nfs/dbraw/zinc/81/42/80/384814280.db2.gz XXPJWGKRQFUWBN-OUAUKWLOSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@H](N)C(=O)NCCn1cnc2ccccc21 ZINC000083911868 384814919 /nfs/dbraw/zinc/81/49/19/384814919.db2.gz XJTDCVFVFBJPGX-VIFPVBQESA-N 0 3 232.287 0.500 20 0 BCADHN CC1=C(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CCC1 ZINC000521066812 384869736 /nfs/dbraw/zinc/86/97/36/384869736.db2.gz QGANFJSHTCBMLE-RYUDHWBXSA-N 0 3 238.331 0.620 20 0 BCADHN C[C@H](N)C(=O)Nc1n[nH]cc1Br ZINC000306313705 384871176 /nfs/dbraw/zinc/87/11/76/384871176.db2.gz MVRSJJNJEYBDHR-VKHMYHEASA-N 0 3 233.069 0.458 20 0 BCADHN CCO[C@H]1C[C@@H](NC(=O)CN)C12CCCC2 ZINC000236951567 384875095 /nfs/dbraw/zinc/87/50/95/384875095.db2.gz HMAQRMPYFLCIDS-ZJUUUORDSA-N 0 3 226.320 0.799 20 0 BCADHN O=C1CCCN1CCN1CCC[C@H](CO)CC1 ZINC000339754115 384879338 /nfs/dbraw/zinc/87/93/38/384879338.db2.gz QCKZGTXHYOYZRG-LBPRGKRZSA-N 0 3 240.347 0.703 20 0 BCADHN C[C@@H](C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)N(C)C ZINC000647392465 384880955 /nfs/dbraw/zinc/88/09/55/384880955.db2.gz DIGMPWOVAYVXAE-AXFHLTTASA-N 0 3 227.352 0.488 20 0 BCADHN CC[C@@](C)(NCCOCC(F)(F)F)C(N)=O ZINC000177138386 384881187 /nfs/dbraw/zinc/88/11/87/384881187.db2.gz LAWUPTRWRJSXBQ-MRVPVSSYSA-N 0 3 242.241 0.809 20 0 BCADHN C[C@H](NC(=O)[C@]1(F)CCNC1)[C@H]1CCCO1 ZINC000151842682 384839082 /nfs/dbraw/zinc/83/90/82/384839082.db2.gz YZLNXPKABNTVPM-NGZCFLSTSA-N 0 3 230.283 0.372 20 0 BCADHN COC(=O)c1coc(CNC[C@H](C)CO)c1 ZINC000126915235 384841221 /nfs/dbraw/zinc/84/12/21/384841221.db2.gz WARIOKSHXVRTLI-QMMMGPOBSA-N 0 3 227.260 0.784 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](N)CC(C)C)C(=O)OC ZINC000236927082 384841879 /nfs/dbraw/zinc/84/18/79/384841879.db2.gz WUKJQJAPECJHBV-DTWKUNHWSA-N 0 3 230.308 0.428 20 0 BCADHN CC[C@@H](N)C(=O)NCCCO[C@H]1CCOC1 ZINC000119609457 384842763 /nfs/dbraw/zinc/84/27/63/384842763.db2.gz YNKIELLDMBANAU-VHSXEESVSA-N 0 3 230.308 0.036 20 0 BCADHN CCOC[C@H](O)CN1CCC(C)(O)CC1 ZINC000087781512 384846637 /nfs/dbraw/zinc/84/66/37/384846637.db2.gz UQVUPXAVTKWCED-SNVBAGLBSA-N 0 3 217.309 0.231 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)[C@@H]1CCCO1 ZINC000151859135 384846868 /nfs/dbraw/zinc/84/68/68/384846868.db2.gz ZMSIFBHSOIAMJX-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN CN1CCC(NC(=O)c2cocn2)CC1 ZINC000104826916 384847661 /nfs/dbraw/zinc/84/76/61/384847661.db2.gz XPMDITYOBXREKW-UHFFFAOYSA-N 0 3 209.249 0.499 20 0 BCADHN N[C@H](C(=O)NC[C@H]1CCCC[C@H]1O)C1CCC1 ZINC000331839023 384850618 /nfs/dbraw/zinc/85/06/18/384850618.db2.gz FZWZJMDHZXDJQV-UTUOFQBUSA-N 0 3 240.347 0.781 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@H](O)CC(C)(C)C ZINC000225502729 384856284 /nfs/dbraw/zinc/85/62/84/384856284.db2.gz VZOUUNDVTHTYEY-ZJUUUORDSA-N 0 3 230.352 0.883 20 0 BCADHN Cc1nc(CNC(=O)[C@H]2CCCCN2)no1 ZINC000225486129 384862824 /nfs/dbraw/zinc/86/28/24/384862824.db2.gz HEEIEDNRJPCYSG-MRVPVSSYSA-N 0 3 224.264 0.136 20 0 BCADHN CCN(CCNCc1ccn(C)n1)C1CC1 ZINC000163825613 384864346 /nfs/dbraw/zinc/86/43/46/384864346.db2.gz FZBZWJIJSOTAIU-UHFFFAOYSA-N 0 3 222.336 0.994 20 0 BCADHN COC[C@@H](O)CCNCc1cnc(C)s1 ZINC000127506360 384864457 /nfs/dbraw/zinc/86/44/57/384864457.db2.gz ZPKYJXKPKOWAJQ-VIFPVBQESA-N 0 3 230.333 0.939 20 0 BCADHN CO[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643729325 384864880 /nfs/dbraw/zinc/86/48/80/384864880.db2.gz WPXNADKXBMESJE-BZNPZCIMSA-N 0 3 212.293 0.263 20 0 BCADHN OC[C@@]1(N[C@@H]2CCSC2)CCOC1 ZINC000186652513 384865283 /nfs/dbraw/zinc/86/52/83/384865283.db2.gz VHWWZMLOJGGAAE-BDAKNGLRSA-N 0 3 203.307 0.233 20 0 BCADHN COC[C@H](O)CCNCc1cnc(C)s1 ZINC000127506586 384866450 /nfs/dbraw/zinc/86/64/50/384866450.db2.gz ZPKYJXKPKOWAJQ-SECBINFHSA-N 0 3 230.333 0.939 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H](C)C1CCOCC1 ZINC000225524506 384867661 /nfs/dbraw/zinc/86/76/61/384867661.db2.gz QXEYZDRRWVLNHH-MWLCHTKSSA-N 0 3 228.336 0.901 20 0 BCADHN CC(C)COCCN1CCC[C@](O)(CO)C1 ZINC000313620551 384867843 /nfs/dbraw/zinc/86/78/43/384867843.db2.gz DYAMAVAAWUCCKV-GFCCVEGCSA-N 0 3 231.336 0.478 20 0 BCADHN CN(C)CC(C)(C)NC(=O)CCCCO ZINC000308618766 384868986 /nfs/dbraw/zinc/86/89/86/384868986.db2.gz NQWYMQNNJXSHDI-UHFFFAOYSA-N 0 3 216.325 0.605 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cnns1 ZINC000186709789 384869616 /nfs/dbraw/zinc/86/96/16/384869616.db2.gz BUPCYYCIOQSZIP-UHFFFAOYSA-N 0 3 240.332 0.704 20 0 BCADHN CC[C@](C)(O)CN1CCC[C@]2(CNC(=O)O2)C1 ZINC000364071287 384949971 /nfs/dbraw/zinc/94/99/71/384949971.db2.gz NDPRNJOSEQZYIP-RYUDHWBXSA-N 0 3 242.319 0.722 20 0 BCADHN Cc1ccc(O)c(CN[C@H](C)C[S@](C)=O)n1 ZINC000164258897 384949977 /nfs/dbraw/zinc/94/99/77/384949977.db2.gz DMXKZBXDKXRJOS-JDNHERCYSA-N 0 3 242.344 0.952 20 0 BCADHN Cc1ccc([O-])c(C[NH2+][C@H](C)C[S@](C)=O)n1 ZINC000164258897 384949984 /nfs/dbraw/zinc/94/99/84/384949984.db2.gz DMXKZBXDKXRJOS-JDNHERCYSA-N 0 3 242.344 0.952 20 0 BCADHN CSCCCNC(=O)[C@@H](N)CC(F)F ZINC000336679247 384960642 /nfs/dbraw/zinc/96/06/42/384960642.db2.gz FWCLZORLVNNYOI-LURJTMIESA-N 0 3 226.292 0.838 20 0 BCADHN C[C@H]1CS(=O)(=O)C[C@H]1N[C@@H]1CCSC1 ZINC000307153343 384951265 /nfs/dbraw/zinc/95/12/65/384951265.db2.gz ANIRHEJBPGSFIA-DJLDLDEBSA-N 0 3 235.374 0.515 20 0 BCADHN CCCNC(=O)CN(C)C1CCOCC1 ZINC000531104966 384951323 /nfs/dbraw/zinc/95/13/23/384951323.db2.gz ZMVCLRQONVDZIM-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CN(CC1CC1)C(=O)[C@]1(F)CCNC1 ZINC000368556351 384954293 /nfs/dbraw/zinc/95/42/93/384954293.db2.gz MIGOVOMQAYQEMK-JTQLQIEISA-N 0 3 200.257 0.556 20 0 BCADHN COC(CN1CCOC[C@@H](C)C1)OC ZINC000364601214 384892924 /nfs/dbraw/zinc/89/29/24/384892924.db2.gz DAPKBUQJTOVSNN-VIFPVBQESA-N 0 3 203.282 0.574 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)NC1CC1 ZINC000127549357 384893306 /nfs/dbraw/zinc/89/33/06/384893306.db2.gz XSFAMLVIBRIDFH-JTQLQIEISA-N 0 3 211.309 0.884 20 0 BCADHN C[C@@H](N)C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000164000628 384895478 /nfs/dbraw/zinc/89/54/78/384895478.db2.gz SRLLWXZVYQDCRH-SECBINFHSA-N 0 3 246.314 0.959 20 0 BCADHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1ccco1 ZINC000566224047 384902330 /nfs/dbraw/zinc/90/23/30/384902330.db2.gz FSMBZPRVAJIXNC-ZETCQYMHSA-N 0 3 218.278 0.295 20 0 BCADHN COC(=O)c1ccc(NC(=O)[C@@H](C)N)cc1 ZINC000027650211 384905712 /nfs/dbraw/zinc/90/57/12/384905712.db2.gz SARTUGUKXILPGW-SSDOTTSWSA-N 0 3 222.244 0.759 20 0 BCADHN COCCN(C)CCNC(=O)OCCCF ZINC000497251941 384908414 /nfs/dbraw/zinc/90/84/14/384908414.db2.gz HKRCIDUJOPRIAV-UHFFFAOYSA-N 0 3 236.287 0.650 20 0 BCADHN C/C=C/C[C@@H](CO)NC(=O)CN(C)C(C)C ZINC000187095598 384910442 /nfs/dbraw/zinc/91/04/42/384910442.db2.gz HBWYSTVYXXSTEE-QRGHLMKCSA-N 0 3 228.336 0.770 20 0 BCADHN CO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)NC1CC1 ZINC000251022967 384912565 /nfs/dbraw/zinc/91/25/65/384912565.db2.gz DZCVXQDYEAUAAK-FBIMIBRVSA-N 0 3 226.320 0.811 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CC[C@@](C)(C(N)=O)C1 ZINC000361566323 384915617 /nfs/dbraw/zinc/91/56/17/384915617.db2.gz PUMKYCNYCUMHBT-BXKDBHETSA-N 0 3 241.335 0.098 20 0 BCADHN CCOC(=O)N[C@H]1CCCN(CC[C@@H](C)O)C1 ZINC000497262705 384919271 /nfs/dbraw/zinc/91/92/71/384919271.db2.gz QYHURZMTLGMGMI-MNOVXSKESA-N 0 3 244.335 0.968 20 0 BCADHN CNS(=O)(=O)CCN[C@@H](C)c1ccccc1 ZINC000187196176 384919427 /nfs/dbraw/zinc/91/94/27/384919427.db2.gz ABBIXKUDNYMJOS-JTQLQIEISA-N 0 3 242.344 0.886 20 0 BCADHN CCOC(=O)N[C@@H]1CCCN(CC[C@H](C)O)C1 ZINC000497262707 384920039 /nfs/dbraw/zinc/92/00/39/384920039.db2.gz QYHURZMTLGMGMI-WDEREUQCSA-N 0 3 244.335 0.968 20 0 BCADHN CCCNC(=O)OC[C@@H]1CCCCN1CCO ZINC000497254860 384920933 /nfs/dbraw/zinc/92/09/33/384920933.db2.gz VCIOJISTDIGPQL-NSHDSACASA-N 0 3 244.335 0.969 20 0 BCADHN CCCNC(=O)OC[C@H]1CCCCN1CCO ZINC000497254859 384921140 /nfs/dbraw/zinc/92/11/40/384921140.db2.gz VCIOJISTDIGPQL-LLVKDONJSA-N 0 3 244.335 0.969 20 0 BCADHN CN(CCO)Cc1cccc2c[nH]nc21 ZINC000127915204 384922441 /nfs/dbraw/zinc/92/24/41/384922441.db2.gz ONTCZQHKBXPJJL-UHFFFAOYSA-N 0 3 205.261 0.987 20 0 BCADHN CN(C)C(=O)CNCCC(=O)Nc1ccccc1 ZINC000644513486 384922842 /nfs/dbraw/zinc/92/28/42/384922842.db2.gz QOSJOOZTMMCAIG-UHFFFAOYSA-N 0 3 249.314 0.693 20 0 BCADHN CCN(CCNC(=O)NC[C@@H](C)CO)C1CC1 ZINC000102064883 384927833 /nfs/dbraw/zinc/92/78/33/384927833.db2.gz KZVYJDFQCMBMRJ-SNVBAGLBSA-N 0 3 243.351 0.398 20 0 BCADHN CN(CC1CCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336281209 384928105 /nfs/dbraw/zinc/92/81/05/384928105.db2.gz UAZYMZDCLNROIA-LLVKDONJSA-N 0 3 246.376 0.752 20 0 BCADHN COC[C@H](O)CNCc1cnn(C(C)C)c1 ZINC000164151555 384929619 /nfs/dbraw/zinc/92/96/19/384929619.db2.gz OBVSSLKHRKPJIO-LLVKDONJSA-N 0 3 227.308 0.561 20 0 BCADHN CCNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000085226763 384930286 /nfs/dbraw/zinc/93/02/86/384930286.db2.gz HGCDFZIAFDTRBM-UWVGGRQHSA-N 0 3 213.325 0.988 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000261586475 384931067 /nfs/dbraw/zinc/93/10/67/384931067.db2.gz RCGDVSRWXRKGOB-WPRPVWTQSA-N 0 3 241.360 0.814 20 0 BCADHN CN1C[C@H](CN[C@H]2CCO[C@H]2C2CC2)OC1=O ZINC000497268456 384931120 /nfs/dbraw/zinc/93/11/20/384931120.db2.gz IJOAHFAVUOKGJC-DCAQKATOSA-N 0 3 240.303 0.594 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000261586469 384933034 /nfs/dbraw/zinc/93/30/34/384933034.db2.gz RCGDVSRWXRKGOB-PSASIEDQSA-N 0 3 241.360 0.814 20 0 BCADHN C[C@@H](O)CN[C@H]1CCN(CC(F)(F)F)C1=O ZINC000644561580 384959949 /nfs/dbraw/zinc/95/99/49/384959949.db2.gz UAMYXDSKPBXKIP-RQJHMYQMSA-N 0 3 240.225 0.120 20 0 BCADHN COC[C@H](CCO)N[C@H]1CCCc2n[nH]cc21 ZINC000367615141 384934992 /nfs/dbraw/zinc/93/49/92/384934992.db2.gz KAKFWODXTHZLNA-ONGXEEELSA-N 0 3 239.319 0.774 20 0 BCADHN NCc1cccc(NC(=O)C2(C(N)=O)CCC2)c1 ZINC000647607480 384935161 /nfs/dbraw/zinc/93/51/61/384935161.db2.gz RSYOBKPQBISUDY-UHFFFAOYSA-N 0 3 247.298 0.739 20 0 BCADHN CCN1CCN(CC2(C(=O)OC)CC2)CC1 ZINC000258554831 384935399 /nfs/dbraw/zinc/93/53/99/384935399.db2.gz AYAGZMJOUFQALJ-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CCCOC2)[C@@H](C)CN1 ZINC000226116866 384935727 /nfs/dbraw/zinc/93/57/27/384935727.db2.gz TVORWGYEBLEFNC-VWYCJHECSA-N 0 3 226.320 0.622 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccc(NC=O)cc1 ZINC000085363958 384937054 /nfs/dbraw/zinc/93/70/54/384937054.db2.gz HDOPEPUMIJGXBE-UHFFFAOYSA-N 0 3 249.314 0.889 20 0 BCADHN CC(=O)N(C)CC(=O)Nc1cccc(CN)c1 ZINC000647607469 384937316 /nfs/dbraw/zinc/93/73/16/384937316.db2.gz REGJLLPRWKQSFC-UHFFFAOYSA-N 0 3 235.287 0.562 20 0 BCADHN C[C@@H](Cn1cncn1)NCc1cccn1C ZINC000164199117 384938787 /nfs/dbraw/zinc/93/87/87/384938787.db2.gz OFGBSANXDRCIQI-JTQLQIEISA-N 0 3 219.292 0.795 20 0 BCADHN C[C@@H](O)CN[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000644561577 384960240 /nfs/dbraw/zinc/96/02/40/384960240.db2.gz UAMYXDSKPBXKIP-RNFRBKRXSA-N 0 3 240.225 0.120 20 0 BCADHN O=C(CN[C@@H]1Cc2cccc(O)c2C1)N1CCC1 ZINC000559274951 384945380 /nfs/dbraw/zinc/94/53/80/384945380.db2.gz JVIZUIFXDIKJEJ-LLVKDONJSA-N 0 3 246.310 0.681 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H]2CCCO2)CCN1 ZINC000062612277 384945836 /nfs/dbraw/zinc/94/58/36/384945836.db2.gz UQAUODLMGSLXDV-GHMZBOCLSA-N 0 3 226.320 0.622 20 0 BCADHN CN(C)Cc1cccc(C(=O)N2CC[C@@H](O)C2)c1 ZINC000304465876 384946135 /nfs/dbraw/zinc/94/61/35/384946135.db2.gz CZSDPXCEFJLEIZ-CYBMUJFWSA-N 0 3 248.326 0.955 20 0 BCADHN C[C@H](O)CN[C@@]1(CO)CCc2ccccc21 ZINC000369048573 384967426 /nfs/dbraw/zinc/96/74/26/384967426.db2.gz PKZVRHWPAGXZLP-GXFFZTMASA-N 0 3 221.300 0.791 20 0 BCADHN O=C(c1cn(C2CCC2)nn1)N1CCCNCC1 ZINC000647615089 384968885 /nfs/dbraw/zinc/96/88/85/384968885.db2.gz FDXQHOVHCIOXNI-UHFFFAOYSA-N 0 3 249.318 0.439 20 0 BCADHN CC[C@H](NC(=O)C1CCN(C)CC1)C(=O)OC ZINC000260026744 384971426 /nfs/dbraw/zinc/97/14/26/384971426.db2.gz OLBAZZTWHZWVTL-JTQLQIEISA-N 0 3 242.319 0.396 20 0 BCADHN C[C@@H](O)CNCc1cc2c([nH]c1=O)CCC2 ZINC000644564145 384973056 /nfs/dbraw/zinc/97/30/56/384973056.db2.gz YMAOBSGVQIFRNM-MRVPVSSYSA-N 0 3 222.288 0.746 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@H](COC)C1 ZINC000112990872 384974040 /nfs/dbraw/zinc/97/40/40/384974040.db2.gz QWBQHJAKLCISEI-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@@H](O)CCNC(=O)C[C@H](N)c1ccccc1 ZINC000085989717 384976885 /nfs/dbraw/zinc/97/68/85/384976885.db2.gz OGWVGMDLUPECPY-PWSUYJOCSA-N 0 3 236.315 0.964 20 0 BCADHN Cc1cc(C)n(CCCNC(=O)C2(N)CC2)n1 ZINC000156809152 384978665 /nfs/dbraw/zinc/97/86/65/384978665.db2.gz BLBKVDKIPKUWAD-UHFFFAOYSA-N 0 3 236.319 0.498 20 0 BCADHN C[C@@H](O)CNCc1cccc(OCC(N)=O)c1 ZINC000644578061 384979765 /nfs/dbraw/zinc/97/97/65/384979765.db2.gz QYUBZJFZOUNVBG-SECBINFHSA-N 0 3 238.287 0.021 20 0 BCADHN COC[C@](C)(O)CNCc1cc(C)ns1 ZINC000404419354 384980219 /nfs/dbraw/zinc/98/02/19/384980219.db2.gz QUDWKQFTILZJLC-SNVBAGLBSA-N 0 3 230.333 0.939 20 0 BCADHN CN(C(=O)[C@H]1CCCN1C)C1CCOCC1 ZINC000530585877 384981047 /nfs/dbraw/zinc/98/10/47/384981047.db2.gz UBQNNRQMBFIGFK-LLVKDONJSA-N 0 3 226.320 0.718 20 0 BCADHN CC(C)[C@H](CCO)NCC(=O)N1CCC1 ZINC000332013035 384982388 /nfs/dbraw/zinc/98/23/88/384982388.db2.gz DIBFRXJNZDWMAK-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN CCOC[C@@H](O)CNCc1cncn1C(C)C ZINC000310335086 384983461 /nfs/dbraw/zinc/98/34/61/384983461.db2.gz KZQDCPHMJUDWNB-LBPRGKRZSA-N 0 3 241.335 0.951 20 0 BCADHN CN(C[C@@H](O)Cn1cccn1)C[C@@H]1CCCO1 ZINC000187821239 384984069 /nfs/dbraw/zinc/98/40/69/384984069.db2.gz LFKCTGFZLBKBPZ-NEPJUHHUSA-N 0 3 239.319 0.355 20 0 BCADHN CC[C@H](O)CNCc1ccc(C(N)=O)nc1 ZINC000644586624 384986173 /nfs/dbraw/zinc/98/61/73/384986173.db2.gz BWONYBMERCKSNN-VIFPVBQESA-N 0 3 223.276 0.041 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@@](C)(O)C2CC2)C1 ZINC000557504455 384986558 /nfs/dbraw/zinc/98/65/58/384986558.db2.gz VLCKWNXXDIWSLM-GWCFXTLKSA-N 0 3 240.347 0.605 20 0 BCADHN CC[C@H](O)CN[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000644579826 384988402 /nfs/dbraw/zinc/98/84/02/384988402.db2.gz NMSIONPJGDIQDS-CHWFTXMASA-N 0 3 226.320 0.356 20 0 BCADHN CC[C@H](O)CC(=O)NCCN1CC[C@H](C)C1 ZINC000556188640 384988472 /nfs/dbraw/zinc/98/84/72/384988472.db2.gz KSHBXHJFARAKFW-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H](O)[C@@H]1CCCCN1CC(=O)N(C)C1CC1 ZINC000303975582 385022420 /nfs/dbraw/zinc/02/24/20/385022420.db2.gz BOZFYGNHWYSTPS-PWSUYJOCSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCC[C@H](CO)C2)C1 ZINC000557514046 384993626 /nfs/dbraw/zinc/99/36/26/384993626.db2.gz HNKPAMFYOMSCHK-RYUDHWBXSA-N 0 3 240.347 0.559 20 0 BCADHN C[C@@H]([NH3+])CCC(=O)Nc1ncccc1[O-] ZINC000129418515 384995714 /nfs/dbraw/zinc/99/57/14/384995714.db2.gz RXNLCAGFOFRCBG-SSDOTTSWSA-N 0 3 209.249 0.853 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000176035034 384996124 /nfs/dbraw/zinc/99/61/24/384996124.db2.gz LFVZIGBOLGPFLL-WDEREUQCSA-N 0 3 226.320 0.380 20 0 BCADHN CC1(OCC(=O)Nc2ccccc2N)CNC1 ZINC000647622918 384996490 /nfs/dbraw/zinc/99/64/90/384996490.db2.gz CHFPFXYUHCURLJ-UHFFFAOYSA-N 0 3 235.287 0.586 20 0 BCADHN CO[C@]1(CNCc2cccnc2)CCOC1 ZINC000156870383 384996566 /nfs/dbraw/zinc/99/65/66/384996566.db2.gz QUIGTVYIGIRMLU-LBPRGKRZSA-N 0 3 222.288 0.977 20 0 BCADHN Nc1ccccc1NC(=O)[C@H]1CNCCOC1 ZINC000647622917 384996594 /nfs/dbraw/zinc/99/65/94/384996594.db2.gz CHCCFYLQNLVNDM-VIFPVBQESA-N 0 3 235.287 0.443 20 0 BCADHN CC[C@H]1COCCN1C[C@@H](O)CN(C)C1CC1 ZINC000310347764 384998272 /nfs/dbraw/zinc/99/82/72/384998272.db2.gz OLEOCGPUJLCQGU-AAEUAGOBSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H](O)CNCc1ccc(CO)c(F)c1 ZINC000644598153 384999529 /nfs/dbraw/zinc/99/95/29/384999529.db2.gz FDJIPWFEPNCEEX-MRVPVSSYSA-N 0 3 213.252 0.788 20 0 BCADHN COc1ncncc1CN[C@@H]1CCOC[C@@H]1C ZINC000647206155 385022614 /nfs/dbraw/zinc/02/26/14/385022614.db2.gz JHRRYDBEATYKIX-GXSJLCMTSA-N 0 3 237.303 1.000 20 0 BCADHN CO[C@@]1(CNCc2c[nH]nc2C)CCOC1 ZINC000156871894 385001217 /nfs/dbraw/zinc/00/12/17/385001217.db2.gz VBIOMJLUHHCOKJ-LLVKDONJSA-N 0 3 225.292 0.613 20 0 BCADHN CC[C@H](NC(=O)C1(N)CCCC1)C(=O)OC ZINC000236985463 385001862 /nfs/dbraw/zinc/00/18/62/385001862.db2.gz GUMAKRFFYINDFM-QMMMGPOBSA-N 0 3 228.292 0.326 20 0 BCADHN CC[C@H](N)C(=O)N1CCCO[C@@H](C)C1 ZINC000061920416 385003152 /nfs/dbraw/zinc/00/31/52/385003152.db2.gz RZNXFMHLXOTWIR-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN COc1ccc(CNCCC(N)=O)c(C)c1 ZINC000644598897 385003340 /nfs/dbraw/zinc/00/33/40/385003340.db2.gz COOIJVPKEYJDSJ-UHFFFAOYSA-N 0 3 222.288 0.969 20 0 BCADHN COc1ncncc1CN[C@H]1CCOC[C@@H]1C ZINC000647206158 385022781 /nfs/dbraw/zinc/02/27/81/385022781.db2.gz JHRRYDBEATYKIX-ONGXEEELSA-N 0 3 237.303 1.000 20 0 BCADHN Cc1cc(CNC[C@@H]2CCC(=O)N2)sn1 ZINC000404443562 385005650 /nfs/dbraw/zinc/00/56/50/385005650.db2.gz AKJJREAMSYIDIJ-QMMMGPOBSA-N 0 3 225.317 0.820 20 0 BCADHN CC[C@@H](N)C(=O)N(CCOC)CC(F)F ZINC000129680181 385007112 /nfs/dbraw/zinc/00/71/12/385007112.db2.gz SOQQNUQANKSTIF-SSDOTTSWSA-N 0 3 224.251 0.464 20 0 BCADHN Cc1cc(CNC[C@@]2(O)CCOC2)sn1 ZINC000404445092 385007409 /nfs/dbraw/zinc/00/74/09/385007409.db2.gz CFZGIRGLRVUQDA-JTQLQIEISA-N 0 3 228.317 0.693 20 0 BCADHN COC(=O)c1ccc(CNC[C@H](C)CO)[nH]1 ZINC000086329728 385010360 /nfs/dbraw/zinc/01/03/60/385010360.db2.gz AUJARPYMLRKPLD-QMMMGPOBSA-N 0 3 226.276 0.519 20 0 BCADHN C[C@H](N[C@@H](C)c1ccccc1)C(=O)NC(N)=O ZINC000058486541 385011264 /nfs/dbraw/zinc/01/12/64/385011264.db2.gz NGWWAHCWGYHJEV-IUCAKERBSA-N 0 3 235.287 0.921 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCN(C)C[C@@H]1C ZINC000226402873 385011290 /nfs/dbraw/zinc/01/12/90/385011290.db2.gz VUNBLXXOWZGTSM-JQWIXIFHSA-N 0 3 227.352 0.666 20 0 BCADHN COCCNCCNC(=O)[C@H]1CCO[C@H](C)C1 ZINC000646905183 385012470 /nfs/dbraw/zinc/01/24/70/385012470.db2.gz NZDYRWKPXICSKB-MNOVXSKESA-N 0 3 244.335 0.154 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@H]1CC(=O)N(C)C1 ZINC000308705069 385015596 /nfs/dbraw/zinc/01/55/96/385015596.db2.gz WNRULRIHRUUEBK-HLTSFMKQSA-N 0 3 200.282 0.230 20 0 BCADHN COCCNCCNC(=O)[C@@H]1CCO[C@H](C)C1 ZINC000646905182 385015775 /nfs/dbraw/zinc/01/57/75/385015775.db2.gz NZDYRWKPXICSKB-GHMZBOCLSA-N 0 3 244.335 0.154 20 0 BCADHN Cc1cc(CNCCOCCO)sn1 ZINC000404484790 385016180 /nfs/dbraw/zinc/01/61/80/385016180.db2.gz JSSKZQOZTFUCMG-UHFFFAOYSA-N 0 3 216.306 0.550 20 0 BCADHN C[C@@H](Cn1cccn1)NC(=O)[C@@H](N)CC(F)F ZINC000310369608 385017442 /nfs/dbraw/zinc/01/74/42/385017442.db2.gz NHERWAUOHUJDQR-YUMQZZPRSA-N 0 3 246.261 0.370 20 0 BCADHN COC(C)(C)CN(C)C(=O)C[C@H]1CNCCO1 ZINC000404242738 384961308 /nfs/dbraw/zinc/96/13/08/384961308.db2.gz QWMOAPGQPCMSNT-JTQLQIEISA-N 0 3 244.335 0.248 20 0 BCADHN C[C@H](CNC(=O)c1csnn1)N(C)C1CC1 ZINC000057709389 384962222 /nfs/dbraw/zinc/96/22/22/384962222.db2.gz ZMVVCKFEHYDERP-SSDOTTSWSA-N 0 3 240.332 0.751 20 0 BCADHN C[C@H](CNC(=O)c1ccnn1C)N(C)C1CC1 ZINC000057700780 384962505 /nfs/dbraw/zinc/96/25/05/384962505.db2.gz FHODHAKEXNOYGS-SECBINFHSA-N 0 3 236.319 0.633 20 0 BCADHN C[C@H](CNC(=O)c1ccc(=O)[nH]c1)N(C)C1CC1 ZINC000057719226 384962725 /nfs/dbraw/zinc/96/27/25/384962725.db2.gz MYYGXMHQJMRWOD-SECBINFHSA-N 0 3 249.314 0.587 20 0 BCADHN CC(C)[C@H](O)CN1CCN2C(=O)CC[C@@H]2C1 ZINC000300906285 385048401 /nfs/dbraw/zinc/04/84/01/385048401.db2.gz RAZDLDRYYJJAMN-GHMZBOCLSA-N 0 3 226.320 0.310 20 0 BCADHN CCCNC(=O)[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000157027060 385049877 /nfs/dbraw/zinc/04/98/77/385049877.db2.gz PBDQZGQXBRXYRI-UWVGGRQHSA-N 0 3 241.335 0.098 20 0 BCADHN COCCN(C)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000530768580 385050535 /nfs/dbraw/zinc/05/05/35/385050535.db2.gz UHBZPIAIGNSCJW-NSHDSACASA-N 0 3 243.351 0.616 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000377403906 385051018 /nfs/dbraw/zinc/05/10/18/385051018.db2.gz UEJYPJWLJVCNML-UTLUCORTSA-N 0 3 212.293 0.361 20 0 BCADHN CN(CCCCO)[C@@H]1CCCCNC1=O ZINC000105610869 385051511 /nfs/dbraw/zinc/05/15/11/385051511.db2.gz GSNLTBYICRICFO-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN C[C@@H](O)CN[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000644666827 385083877 /nfs/dbraw/zinc/08/38/77/385083877.db2.gz ZIUIGAQNFRVOQK-KXUCPTDWSA-N 0 3 212.293 0.110 20 0 BCADHN CCn1nncc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646918953 385058049 /nfs/dbraw/zinc/05/80/49/385058049.db2.gz BVCPGACKSDRRPA-GXSJLCMTSA-N 0 3 249.318 0.074 20 0 BCADHN C[C@@H](C(=O)N1CC[C@@H]2CN(C)C[C@H]21)N(C)C ZINC000646917151 385058420 /nfs/dbraw/zinc/05/84/20/385058420.db2.gz YLYFLQNXPHPMIS-HBNTYKKESA-N 0 3 225.336 0.099 20 0 BCADHN COc1cc(N2CC(N(C)C)C2)ncn1 ZINC000128641527 385059882 /nfs/dbraw/zinc/05/98/82/385059882.db2.gz RFCIRPAHBWXASC-UHFFFAOYSA-N 0 3 208.265 0.235 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3(O)CCCC3)[C@@H]2C1 ZINC000646919781 385060961 /nfs/dbraw/zinc/06/09/61/385060961.db2.gz KURMVAOEMQUKPV-GHMZBOCLSA-N 0 3 238.331 0.454 20 0 BCADHN CO[C@H](C(=O)N1CC[C@H]2CN(C)C[C@H]21)C1CC1 ZINC000646920620 385061137 /nfs/dbraw/zinc/06/11/37/385061137.db2.gz SOBHWFAEZPMAPL-TUAOUCFPSA-N 0 3 238.331 0.574 20 0 BCADHN Cn1cccc1CNCCC[S@@](C)=O ZINC000119304428 385061744 /nfs/dbraw/zinc/06/17/44/385061744.db2.gz KICCLKHUVVEAHL-AWEZNQCLSA-N 0 3 214.334 0.883 20 0 BCADHN COC[C@](C)(O)CCNC[C@H](O)C(F)(F)F ZINC000644656103 385062159 /nfs/dbraw/zinc/06/21/59/385062159.db2.gz QMZXTPDXYXDPIB-JGVFFNPUSA-N 0 3 245.241 0.287 20 0 BCADHN O[C@@H](CN[C@H]1CCC[C@H]1F)CN1CCOCC1 ZINC000644655499 385062233 /nfs/dbraw/zinc/06/22/33/385062233.db2.gz JPHONLLMUZQAKW-TUAOUCFPSA-N 0 3 246.326 0.160 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@](C)(O)C3CC3)[C@@H]2C1 ZINC000646913850 385065024 /nfs/dbraw/zinc/06/50/24/385065024.db2.gz OADBTTKEEXQKCV-UFGOTCBOSA-N 0 3 238.331 0.310 20 0 BCADHN CN1CCC[C@H](NC(=O)C2CC(C)(O)C2)C1 ZINC000648273989 385065194 /nfs/dbraw/zinc/06/51/94/385065194.db2.gz DRQZJASCCOFNJS-YZRBJQDESA-N 0 3 226.320 0.358 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)C3=CCOCC3)[C@@H]2C1 ZINC000646912489 385065609 /nfs/dbraw/zinc/06/56/09/385065609.db2.gz VQOLKSJNGTVURA-NWDGAFQWSA-N 0 3 236.315 0.496 20 0 BCADHN C[C@H](CO)CNC(=O)CN1CC[C@@H](C)C1 ZINC000646914243 385066235 /nfs/dbraw/zinc/06/62/35/385066235.db2.gz STNILQANQWMWJQ-ZJUUUORDSA-N 0 3 214.309 0.073 20 0 BCADHN COC[C@@H](CCO)NCc1[nH]ncc1C ZINC000289635976 385068525 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/nfs/dbraw/zinc/07/34/73/385073473.db2.gz KUNVMBDFUPJNSH-JOYOIKCWSA-N 0 3 248.330 0.748 20 0 BCADHN Cc1ncc(CNCCN2CCCC2)cn1 ZINC000336679488 385074912 /nfs/dbraw/zinc/07/49/12/385074912.db2.gz CQJYQXBYUTXNSX-UHFFFAOYSA-N 0 3 220.320 0.970 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646933981 385075941 /nfs/dbraw/zinc/07/59/41/385075941.db2.gz LWEGLRBADLXNCY-ZYHUDNBSSA-N 0 3 248.330 0.423 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CC[C@@H](O)CC(C)(C)C1 ZINC000336235010 385076715 /nfs/dbraw/zinc/07/67/15/385076715.db2.gz WIWBFRLBTCRIJL-WDEREUQCSA-N 0 3 242.363 0.946 20 0 BCADHN COCCCN(C)[C@@H]1CCN(C(C)C)C1=O ZINC000177662559 385078132 /nfs/dbraw/zinc/07/81/32/385078132.db2.gz OUHAPCPQVYNWQU-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccc[nH]c3=O)[C@@H]2C1 ZINC000646934955 385078259 /nfs/dbraw/zinc/07/82/59/385078259.db2.gz YFPIQXJZOHITFD-MWLCHTKSSA-N 0 3 247.298 0.563 20 0 BCADHN Cc1csc(CNC(=O)[C@H]2C[C@H](F)CN2)n1 ZINC000188704002 385078480 /nfs/dbraw/zinc/07/84/80/385078480.db2.gz AZYWDTSPSGKPOA-JGVFFNPUSA-N 0 3 243.307 0.768 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3ccc[nH]c3=O)[C@@H]2C1 ZINC000646934953 385079433 /nfs/dbraw/zinc/07/94/33/385079433.db2.gz YFPIQXJZOHITFD-GXSJLCMTSA-N 0 3 247.298 0.563 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc[nH]c2=O)C1 ZINC000646934956 385079463 /nfs/dbraw/zinc/07/94/63/385079463.db2.gz YFPIQXJZOHITFD-ONGXEEELSA-N 0 3 247.298 0.563 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](O)CC(C)(C)C1 ZINC000336234804 385079666 /nfs/dbraw/zinc/07/96/66/385079666.db2.gz ICYRLODWPUGTCD-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000566190552 385079952 /nfs/dbraw/zinc/07/99/52/385079952.db2.gz HFTOSTTZBQVOIT-KCJUWKMLSA-N 0 3 248.330 0.524 20 0 BCADHN C[C@@H]1C[C@@H](NCC2(S(C)(=O)=O)CCC2)CO1 ZINC000647207999 385081644 /nfs/dbraw/zinc/08/16/44/385081644.db2.gz YGUDMYOWHMJIAH-NXEZZACHSA-N 0 3 247.360 0.721 20 0 BCADHN CC[C@H](O)CN[C@@H]1C[C@H]2CCCCN2C1=O ZINC000644666539 385082563 /nfs/dbraw/zinc/08/25/63/385082563.db2.gz LAPORNSIEMBHMG-OUAUKWLOSA-N 0 3 226.320 0.500 20 0 BCADHN Cc1cc(CNC[C@@H]2CNC(=O)C2)sn1 ZINC000404512692 385024089 /nfs/dbraw/zinc/02/40/89/385024089.db2.gz RWEIKTRLMHTWGP-MRVPVSSYSA-N 0 3 225.317 0.677 20 0 BCADHN CC[C@@H](O)CNCc1ccc2c(c1)C(=O)NCC2 ZINC000644621537 385028876 /nfs/dbraw/zinc/02/88/76/385028876.db2.gz XXPNFANURBQRTD-GFCCVEGCSA-N 0 3 248.326 0.833 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cccc(F)n1 ZINC000130249576 385030070 /nfs/dbraw/zinc/03/00/70/385030070.db2.gz JDGKHYIIDOOOAA-QMMMGPOBSA-N 0 3 225.267 0.901 20 0 BCADHN C[S@@](=O)c1cccc(NC(=O)CCN)c1 ZINC000261576353 385034496 /nfs/dbraw/zinc/03/44/96/385034496.db2.gz KHVXUBVBMSKRCI-OAHLLOKOSA-N 0 3 226.301 0.711 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccnc(CN)c1 ZINC000564931834 385083285 /nfs/dbraw/zinc/08/32/85/385083285.db2.gz VCNLISKJAHLVHE-VHSXEESVSA-N 0 3 248.330 0.363 20 0 BCADHN C[C@@H](O)CN[C@H]1C[C@H]2CCCCN2C1=O ZINC000644666826 385083441 /nfs/dbraw/zinc/08/34/41/385083441.db2.gz ZIUIGAQNFRVOQK-BBBLOLIVSA-N 0 3 212.293 0.110 20 0 BCADHN CC[C@H]1CN(C)CCN1C(=O)[C@@H]1CCCN1C ZINC000647460184 385045200 /nfs/dbraw/zinc/04/52/00/385045200.db2.gz NEGSZFZLDCYGRJ-RYUDHWBXSA-N 0 3 239.363 0.633 20 0 BCADHN O[C@@H](CNC1CC(F)(F)C1)Cn1cccn1 ZINC000644632523 385046375 /nfs/dbraw/zinc/04/63/75/385046375.db2.gz ZREYNJDLBCWBTJ-VIFPVBQESA-N 0 3 231.246 0.631 20 0 BCADHN CO[C@H](CN)C(=O)NCCc1csc(C)n1 ZINC000227419739 385141660 /nfs/dbraw/zinc/14/16/60/385141660.db2.gz XBAHQDHHGSNLNN-SECBINFHSA-N 0 3 243.332 0.084 20 0 BCADHN COC(=O)C1(CNCc2n[nH]cc2C)CC1 ZINC000290989617 385112607 /nfs/dbraw/zinc/11/26/07/385112607.db2.gz ZRPHQUMCWHUPTH-UHFFFAOYSA-N 0 3 223.276 0.761 20 0 BCADHN CC[C@H](O)CC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000648292967 385115566 /nfs/dbraw/zinc/11/55/66/385115566.db2.gz DDNHWECWQLOIQF-NEPJUHHUSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H](N)C(=O)Nc1cc([C@H]2C[C@@H]2C)[nH]n1 ZINC000157255884 385117476 /nfs/dbraw/zinc/11/74/76/385117476.db2.gz CEGOQRQJXXGUPO-XVMARJQXSA-N 0 3 208.265 0.819 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000227418538 385141784 /nfs/dbraw/zinc/14/17/84/385141784.db2.gz RMKYXDSXZHFOTF-OPRDCNLKSA-N 0 3 246.376 0.751 20 0 BCADHN NC[C@H](C(=O)N1CCNCC1)c1ccccc1 ZINC000061611329 385125752 /nfs/dbraw/zinc/12/57/52/385125752.db2.gz WNZCRSWKXODAIU-LBPRGKRZSA-N 0 3 233.315 0.161 20 0 BCADHN COC[C@@](C)(CCO)NCc1cnn(C)c1 ZINC000165452165 385130014 /nfs/dbraw/zinc/13/00/14/385130014.db2.gz DRIMJEYTDXZPBC-LLVKDONJSA-N 0 3 227.308 0.297 20 0 BCADHN CO[C@H]1CCC[C@H]1CNC(=O)[C@@H](N)C(C)C ZINC000497486323 385130117 /nfs/dbraw/zinc/13/01/17/385130117.db2.gz XHDXXXCZCFVWQE-DCAQKATOSA-N 0 3 228.336 0.901 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1ccncc1 ZINC000227350010 385130548 /nfs/dbraw/zinc/13/05/48/385130548.db2.gz WTNKUHBDIVTMLA-SNVBAGLBSA-N 0 3 223.276 0.014 20 0 BCADHN Cn1nccc1CCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644714444 385131395 /nfs/dbraw/zinc/13/13/95/385131395.db2.gz JOSLSKBWVSXOPY-GDNZZTSVSA-N 0 3 221.304 0.133 20 0 BCADHN CO[C@H](CN)C(=O)NCc1ccc(C)c(F)c1 ZINC000227349003 385131412 /nfs/dbraw/zinc/13/14/12/385131412.db2.gz RKTDAEACZWYYFT-LLVKDONJSA-N 0 3 240.278 0.724 20 0 BCADHN CN(C)Cc1ccc(C(=O)N2CC[C@H](O)C2)cc1 ZINC000061705847 385132515 /nfs/dbraw/zinc/13/25/15/385132515.db2.gz QPEJSMSCDBGPEX-ZDUSSCGKSA-N 0 3 248.326 0.955 20 0 BCADHN C[C@@H]1[C@H](C(=O)NCCN(C)C)C1(F)F ZINC000359263816 385133684 /nfs/dbraw/zinc/13/36/84/385133684.db2.gz CSRFUNTXBUUXNB-RNFRBKRXSA-N 0 3 206.236 0.565 20 0 BCADHN CCCn1cc(CN2CC[C@H](C(N)=O)C2)cn1 ZINC000157141860 385086097 /nfs/dbraw/zinc/08/60/97/385086097.db2.gz XSXVKWBLBMYVEW-NSHDSACASA-N 0 3 236.319 0.600 20 0 BCADHN CC(=O)N[C@H]1CCCN([C@@H]2CCOC2)C1 ZINC000336329242 385086628 /nfs/dbraw/zinc/08/66/28/385086628.db2.gz DZLZGWCKDJIEDK-WDEREUQCSA-N 0 3 212.293 0.376 20 0 BCADHN Cc1nc(CCNCc2cnnn2C)cs1 ZINC000227122817 385094199 /nfs/dbraw/zinc/09/41/99/385094199.db2.gz AMYYHTXLZMMUNX-UHFFFAOYSA-N 0 3 237.332 0.912 20 0 BCADHN Cn1nc2c(cc1=O)CN(CC1(O)CCC1)CC2 ZINC000407949961 385102233 /nfs/dbraw/zinc/10/22/33/385102233.db2.gz YDXCYTKVZGVALR-UHFFFAOYSA-N 0 3 249.314 0.053 20 0 BCADHN O=C1CNC(=O)N1CCCN1C[C@H]2CCC[C@@H]21 ZINC000407950069 385102986 /nfs/dbraw/zinc/10/29/86/385102986.db2.gz UGRNPVVGBPTPMO-ZJUUUORDSA-N 0 3 237.303 0.413 20 0 BCADHN CSCCCNC(=O)[C@H]1CCCCN1 ZINC000069013989 385105696 /nfs/dbraw/zinc/10/56/96/385105696.db2.gz BNRPRTIWNOCOOU-SECBINFHSA-N 0 3 216.350 0.998 20 0 BCADHN O=C(CNC[C@H]1CCCO1)Nc1cn[nH]c1 ZINC000151927127 385141308 /nfs/dbraw/zinc/14/13/08/385141308.db2.gz LRVUVGCBNRDBDI-SECBINFHSA-N 0 3 224.264 0.117 20 0 BCADHN C[C@H](CSc1nc(N)cc(N)n1)N(C)C ZINC000308835658 385201545 /nfs/dbraw/zinc/20/15/45/385201545.db2.gz LCNNRUPEGVHZBR-ZCFIWIBFSA-N 0 3 227.337 0.683 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N1CCc2ccncc21 ZINC000648170294 385182443 /nfs/dbraw/zinc/18/24/43/385182443.db2.gz MDUJHQSNCLCBRS-QMMMGPOBSA-N 0 3 241.241 0.953 20 0 BCADHN Cc1ccc(C(=O)NCCN(C)C)cc1N ZINC000020194716 385186126 /nfs/dbraw/zinc/18/61/26/385186126.db2.gz VRSQFEJLBYDSAW-UHFFFAOYSA-N 0 3 221.304 0.869 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000644728491 385191047 /nfs/dbraw/zinc/19/10/47/385191047.db2.gz IDJQRQJNPZVDDV-GHMZBOCLSA-N 0 3 225.336 0.147 20 0 BCADHN N[C@H](CNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 ZINC000062838007 385191090 /nfs/dbraw/zinc/19/10/90/385191090.db2.gz DDVOJGGYHCVNAP-MNOVXSKESA-N 0 3 247.298 0.081 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000644728494 385191800 /nfs/dbraw/zinc/19/18/00/385191800.db2.gz IDJQRQJNPZVDDV-QWRGUYRKSA-N 0 3 225.336 0.147 20 0 BCADHN CCCN(CCCc1cnn(C)c1)CC(N)=O ZINC000644785302 385192704 /nfs/dbraw/zinc/19/27/04/385192704.db2.gz BNYDDBMTLPYACN-UHFFFAOYSA-N 0 3 238.335 0.550 20 0 BCADHN Cn1cncc1CN1CCC[C@H](CC(N)=O)C1 ZINC000177178853 385193810 /nfs/dbraw/zinc/19/38/10/385193810.db2.gz CYFKCLPKEFKJGS-SNVBAGLBSA-N 0 3 236.319 0.508 20 0 BCADHN Cc1nc(C(=O)N2CC[C@@H](N(C)C)C2)no1 ZINC000408049638 385194195 /nfs/dbraw/zinc/19/41/95/385194195.db2.gz CJJWKDXLLTZDAY-MRVPVSSYSA-N 0 3 224.264 0.154 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2ccn[nH]2)CN1C1CC1 ZINC000177211015 385197457 /nfs/dbraw/zinc/19/74/57/385197457.db2.gz PFVNJVGUVCJQFA-BDAKNGLRSA-N 0 3 234.303 0.765 20 0 BCADHN CC(C)n1cc(CN2CC[C@@H]3CN(C)C[C@@H]32)nn1 ZINC000644728573 385198648 /nfs/dbraw/zinc/19/86/48/385198648.db2.gz INVHTOKTVNKJSI-YPMHNXCESA-N 0 3 249.362 0.995 20 0 BCADHN CN(C(=O)CN1CC[C@H]2CN(C)C[C@@H]21)C1CC1 ZINC000644728668 385198720 /nfs/dbraw/zinc/19/87/20/385198720.db2.gz JGPURGVAMWVATL-JQWIXIFHSA-N 0 3 237.347 0.243 20 0 BCADHN Cc1nc(CN[C@H]2CSC[C@@H]2C)n[nH]1 ZINC000306652234 385147321 /nfs/dbraw/zinc/14/73/21/385147321.db2.gz CMEASSXVTZNPDH-XPUUQOCRSA-N 0 3 212.322 0.954 20 0 BCADHN C[C@H](C(=O)NCCO)N1CCCCCC1 ZINC000305174772 385200158 /nfs/dbraw/zinc/20/01/58/385200158.db2.gz VIAGVCQZEPVMAX-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN CC(C)OC(=O)CCN1CCC(C(N)=O)CC1 ZINC000157339556 385150127 /nfs/dbraw/zinc/15/01/27/385150127.db2.gz BEVRYLCLDWDKKC-UHFFFAOYSA-N 0 3 242.319 0.525 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@H]1CCCO1 ZINC000162217089 385159740 /nfs/dbraw/zinc/15/97/40/385159740.db2.gz JDLAJNQLXWNIFA-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN CN(C)CCNC(=O)/C=C/c1ccc[nH]1 ZINC000189515899 385162962 /nfs/dbraw/zinc/16/29/62/385162962.db2.gz ZNPNTIJMVPNQCY-AATRIKPKSA-N 0 3 207.277 0.706 20 0 BCADHN CCn1nnc(C)c1CN[C@@H]1CCOC1 ZINC000643802689 385164678 /nfs/dbraw/zinc/16/46/78/385164678.db2.gz SGXACXSCMJYNBD-SECBINFHSA-N 0 3 210.281 0.485 20 0 BCADHN C[C@@H](N(C)CCNS(C)(=O)=O)C1(C)CC1 ZINC000177217498 385201074 /nfs/dbraw/zinc/20/10/74/385201074.db2.gz MJZCZIZYWJKWOE-SECBINFHSA-N 0 3 234.365 0.656 20 0 BCADHN COC(=O)CCCN1CC[C@@](C)(O)C1 ZINC000178019594 385171376 /nfs/dbraw/zinc/17/13/76/385171376.db2.gz NKSPCYCHIMMZRB-SNVBAGLBSA-N 0 3 201.266 0.396 20 0 BCADHN CC(C)NC(=O)CCNC(=O)[C@@H](N)C(C)C ZINC000152316902 385171634 /nfs/dbraw/zinc/17/16/34/385171634.db2.gz IGOKOKKLGDCSJM-JTQLQIEISA-N 0 3 229.324 0.001 20 0 BCADHN c1ncn(CC2CCN(Cc3cnc[nH]3)CC2)n1 ZINC000189979956 385201417 /nfs/dbraw/zinc/20/14/17/385201417.db2.gz IDMFPOJASMBPNF-UHFFFAOYSA-N 0 3 246.318 0.913 20 0 BCADHN CN1C[C@@H]2CCN(CC(=O)NCC3CC3)[C@@H]2C1 ZINC000644730319 385255959 /nfs/dbraw/zinc/25/59/59/385255959.db2.gz UYXLSGGEEQMSPS-NWDGAFQWSA-N 0 3 237.347 0.149 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000246630766 385206787 /nfs/dbraw/zinc/20/67/87/385206787.db2.gz KHYNVFCKDKJPJY-HAQNSBGRSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)N1CCCN([C@H]2CCCNC2=O)CC1 ZINC000336379320 385208920 /nfs/dbraw/zinc/20/89/20/385208920.db2.gz BXUJSPDJNUTALN-LBPRGKRZSA-N 0 3 239.363 0.681 20 0 BCADHN CN(C)CCn1ccc(NCc2ccnn2C)n1 ZINC000119775236 385211617 /nfs/dbraw/zinc/21/16/17/385211617.db2.gz CGMUJHQPZFLVOZ-UHFFFAOYSA-N 0 3 248.334 0.790 20 0 BCADHN COC(=O)[C@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000107821834 385213683 /nfs/dbraw/zinc/21/36/83/385213683.db2.gz TWLVVYOKWKYSKJ-UWVGGRQHSA-N 0 3 213.277 0.660 20 0 BCADHN COCCOCCCCNC(=O)C(C)(C)N ZINC000157573846 385215571 /nfs/dbraw/zinc/21/55/71/385215571.db2.gz HEVAAUCXTULRGW-UHFFFAOYSA-N 0 3 232.324 0.283 20 0 BCADHN O=C1C[C@H](N[C@H]2CCOC2)[C@H]2CCCCN12 ZINC000300964961 385216196 /nfs/dbraw/zinc/21/61/96/385216196.db2.gz PXQIGLUUHCCDNK-GARJFASQSA-N 0 3 224.304 0.518 20 0 BCADHN COC[C@@H](C)NC(=O)[C@H]1CCCCN1 ZINC000019412333 385217907 /nfs/dbraw/zinc/21/79/07/385217907.db2.gz AOQOABOSYIPPLP-RKDXNWHRSA-N 0 3 200.282 0.280 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCCOC(C)(C)C1 ZINC000370908943 385256582 /nfs/dbraw/zinc/25/65/82/385256582.db2.gz KAYKTOABDILDEU-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@H](O)CCNC(=O)C1(N)CCCCC1 ZINC000157586734 385221907 /nfs/dbraw/zinc/22/19/07/385221907.db2.gz OHEWAWODIDSKAD-JTQLQIEISA-N 0 3 228.336 0.925 20 0 BCADHN O=C(CNC1CC1)N1CCOC[C@H]1C1CC1 ZINC000238155794 385224445 /nfs/dbraw/zinc/22/44/45/385224445.db2.gz KHVXGJXANWIROS-NSHDSACASA-N 0 3 224.304 0.376 20 0 BCADHN Cc1nn(C)c(C)c1C(=O)N(C)CCN(C)C ZINC000177349995 385225045 /nfs/dbraw/zinc/22/50/45/385225045.db2.gz HGTRRCLWTGPQFA-UHFFFAOYSA-N 0 3 238.335 0.671 20 0 BCADHN Cn1cc(CN2CC[C@@H](O)C2(C)C)cn1 ZINC000308871699 385227125 /nfs/dbraw/zinc/22/71/25/385227125.db2.gz ZEZMYHZCSZQPIN-SNVBAGLBSA-N 0 3 209.293 0.765 20 0 BCADHN CCSCCCNC(=O)C(C)(C)N ZINC000301010964 385227804 /nfs/dbraw/zinc/22/78/04/385227804.db2.gz ZZAXWLAGYUSCOW-UHFFFAOYSA-N 0 3 204.339 0.983 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)c1cnccn1 ZINC000647075338 385229229 /nfs/dbraw/zinc/22/92/29/385229229.db2.gz PSUNUTDWKFWWIX-MRVPVSSYSA-N 0 3 242.229 0.204 20 0 BCADHN CNS(=O)(=O)CCNCc1ccc(C)cc1 ZINC000190311607 385229231 /nfs/dbraw/zinc/22/92/31/385229231.db2.gz HUHSLAQXKYFAAZ-UHFFFAOYSA-N 0 3 242.344 0.634 20 0 BCADHN CCOCCN[C@H]1CCCS(=O)(=O)C1 ZINC000068939948 385231407 /nfs/dbraw/zinc/23/14/07/385231407.db2.gz GUQJWPGIEHCTLN-VIFPVBQESA-N 0 3 221.322 0.190 20 0 BCADHN CC(C)COCCN(C)CCOCCO ZINC000301014388 385232591 /nfs/dbraw/zinc/23/25/91/385232591.db2.gz HPEQNTJJBMTYPV-UHFFFAOYSA-N 0 3 219.325 0.600 20 0 BCADHN CC(C)(C)NC(=O)CN[C@@H]1COCC1(C)C ZINC000313037284 385232617 /nfs/dbraw/zinc/23/26/17/385232617.db2.gz LOPCJAHRPXQYRX-SECBINFHSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000108376766 385232677 /nfs/dbraw/zinc/23/26/77/385232677.db2.gz PMQPGLFLFLYJQA-NEPJUHHUSA-N 0 3 239.363 0.811 20 0 BCADHN Cc1nocc1C(=O)N1CCNCC1(C)C ZINC000402764735 385257185 /nfs/dbraw/zinc/25/71/85/385257185.db2.gz HBRLAGXSSHVOSL-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN COC(=O)[C@]1(C)CCN(CCn2cccn2)C1 ZINC000177420420 385237506 /nfs/dbraw/zinc/23/75/06/385237506.db2.gz PRBHKZUUSBNBAT-GFCCVEGCSA-N 0 3 237.303 0.768 20 0 BCADHN COC(CN1CCC[C@]12CCOC2)OC ZINC000308874930 385237620 /nfs/dbraw/zinc/23/76/20/385237620.db2.gz BGRQFGNOXUUMRB-LLVKDONJSA-N 0 3 215.293 0.860 20 0 BCADHN CCOC[C@H](O)CN1CCC(OC)CC1 ZINC000068950010 385238504 /nfs/dbraw/zinc/23/85/04/385238504.db2.gz VJKXRKLWQDGQMG-SNVBAGLBSA-N 0 3 217.309 0.495 20 0 BCADHN CC(C)n1ncnc1CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000644729747 385239132 /nfs/dbraw/zinc/23/91/32/385239132.db2.gz NPXKMOXELQCWFV-RYUDHWBXSA-N 0 3 249.362 0.995 20 0 BCADHN OCCOCCN1CCC[C@]12CCOC2 ZINC000308877597 385242793 /nfs/dbraw/zinc/24/27/93/385242793.db2.gz BXWMHCKGFGIDFR-LLVKDONJSA-N 0 3 215.293 0.250 20 0 BCADHN CC[C@H](N)C(=O)NCCOCCC(C)C ZINC000045109119 385242871 /nfs/dbraw/zinc/24/28/71/385242871.db2.gz ZRHGGRRGJZEMES-JTQLQIEISA-N 0 3 216.325 0.903 20 0 BCADHN Cc1nnsc1C(=O)NC[C@H]1CCN(C)C1 ZINC000190480195 385243147 /nfs/dbraw/zinc/24/31/47/385243147.db2.gz DUJATCZPLOSDRX-MRVPVSSYSA-N 0 3 240.332 0.528 20 0 BCADHN CSCCCNC(=O)[C@@H]1CCCCN1 ZINC000069013988 385243113 /nfs/dbraw/zinc/24/31/13/385243113.db2.gz BNRPRTIWNOCOOU-VIFPVBQESA-N 0 3 216.350 0.998 20 0 BCADHN CO[C@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC000037262972 385246315 /nfs/dbraw/zinc/24/63/15/385246315.db2.gz JWWYTFBJNBFXQP-MNOVXSKESA-N 0 3 226.320 0.812 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)C(C)(C)O)C1 ZINC000230106163 385248247 /nfs/dbraw/zinc/24/82/47/385248247.db2.gz GSIGHYGKLFFBNP-SECBINFHSA-N 0 3 214.309 0.310 20 0 BCADHN CCCn1ncnc1CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644730220 385255085 /nfs/dbraw/zinc/25/50/85/385255085.db2.gz PCWIJOUUQNKSGI-NEPJUHHUSA-N 0 3 249.362 0.824 20 0 BCADHN CO[C@H](CNC(=O)[C@@H](C)N)C(C)(C)C ZINC000119934459 385203501 /nfs/dbraw/zinc/20/35/01/385203501.db2.gz HJOQYVYZXMAYQW-HTQZYQBOSA-N 0 3 202.298 0.511 20 0 BCADHN c1cc(CNCCN2CC=CCC2)n[nH]1 ZINC000279802201 385204509 /nfs/dbraw/zinc/20/45/09/385204509.db2.gz NQILBUXPTXQWPP-UHFFFAOYSA-N 0 3 206.293 0.761 20 0 BCADHN CO[C@@H]1CCCC[C@H]1N[C@@H]1CCNC1=O ZINC000308938903 385305669 /nfs/dbraw/zinc/30/56/69/385305669.db2.gz LPXDXTPSFQOAMA-OPRDCNLKSA-N 0 3 212.293 0.422 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000037801602 385311656 /nfs/dbraw/zinc/31/16/56/385311656.db2.gz HFLSUZKZQFKMKK-SNVBAGLBSA-N 0 3 243.351 0.343 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@](C)(O)C1CC1 ZINC000308962009 385313553 /nfs/dbraw/zinc/31/35/53/385313553.db2.gz GQHXCJVTJCNKGB-WPRPVWTQSA-N 0 3 235.349 0.170 20 0 BCADHN Cn1cc(CNCC2([S@](C)=O)CC2)cn1 ZINC000308961155 385314879 /nfs/dbraw/zinc/31/48/79/385314879.db2.gz SCQJZZHJFXZLPK-HNNXBMFYSA-N 0 3 227.333 0.421 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)[C@H](O)C1CCC1 ZINC000449829149 385316224 /nfs/dbraw/zinc/31/62/24/385316224.db2.gz RSXSWYASCPSGNR-VXGBXAGGSA-N 0 3 240.347 0.700 20 0 BCADHN Cc1[nH]nc(C(=O)N2C[C@H](C)NC[C@@H]2C)c1C ZINC000272553462 385317161 /nfs/dbraw/zinc/31/71/61/385317161.db2.gz KYPVRFVDZAGFPJ-YUMQZZPRSA-N 0 3 236.319 0.849 20 0 BCADHN Cc1[nH]nc(C(=O)N2C[C@H](C)NC[C@H]2C)c1C ZINC000272553455 385317601 /nfs/dbraw/zinc/31/76/01/385317601.db2.gz KYPVRFVDZAGFPJ-JGVFFNPUSA-N 0 3 236.319 0.849 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NCC(F)F)C1 ZINC000167470576 385319099 /nfs/dbraw/zinc/31/90/99/385319099.db2.gz SADGXHPXIGCWGX-RQJHMYQMSA-N 0 3 206.236 0.756 20 0 BCADHN O[C@H]1CCN([C@H]2CCC[C@H]2NCC(F)F)C1 ZINC000643959964 385320026 /nfs/dbraw/zinc/32/00/26/385320026.db2.gz LCALLWGGQYBQIU-AEJSXWLSSA-N 0 3 234.290 0.829 20 0 BCADHN CC(C)=CCNC(=O)C(C)S(C)(=O)=O ZINC000191741888 385322034 /nfs/dbraw/zinc/32/20/34/385322034.db2.gz HZSLBJWNGKOMKZ-QMMMGPOBSA-N 0 3 219.306 0.502 20 0 BCADHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000177581898 385264084 /nfs/dbraw/zinc/26/40/84/385264084.db2.gz KPOWRBYOANMGCW-DTWKUNHWSA-N 0 3 237.307 0.407 20 0 BCADHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000177581898 385264090 /nfs/dbraw/zinc/26/40/90/385264090.db2.gz KPOWRBYOANMGCW-DTWKUNHWSA-N 0 3 237.307 0.407 20 0 BCADHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000177581898 385264097 /nfs/dbraw/zinc/26/40/97/385264097.db2.gz KPOWRBYOANMGCW-DTWKUNHWSA-N 0 3 237.307 0.407 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H](N)C(C)C)C[C@@H](C)O1 ZINC000237039887 385264778 /nfs/dbraw/zinc/26/47/78/385264778.db2.gz QQRISZDLVBHZCS-VWYCJHECSA-N 0 3 228.336 0.996 20 0 BCADHN CCn1ncnc1CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000644731772 385268618 /nfs/dbraw/zinc/26/86/18/385268618.db2.gz GZGLFQXFALUSND-QWRGUYRKSA-N 0 3 235.335 0.434 20 0 BCADHN CCn1ncnc1CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644731775 385269629 /nfs/dbraw/zinc/26/96/29/385269629.db2.gz GZGLFQXFALUSND-WDEREUQCSA-N 0 3 235.335 0.434 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000157740726 385271012 /nfs/dbraw/zinc/27/10/12/385271012.db2.gz DTEMOJWGOKVPSU-SECBINFHSA-N 0 3 236.319 0.962 20 0 BCADHN CO[C@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000336406321 385273663 /nfs/dbraw/zinc/27/36/63/385273663.db2.gz RDBCZUSNXDDGRK-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@@H](O)CC1 ZINC000336364960 385277416 /nfs/dbraw/zinc/27/74/16/385277416.db2.gz KNQWMICDCOMYHW-MWLCHTKSSA-N 0 3 226.320 0.500 20 0 BCADHN CCOC[C@@H]1CCCN([C@H](CC)C(N)=O)C1 ZINC000247039743 385277494 /nfs/dbraw/zinc/27/74/94/385277494.db2.gz RVOXICIPRLUIAL-GHMZBOCLSA-N 0 3 228.336 0.999 20 0 BCADHN NC1(c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)CCC1 ZINC000647140971 385278811 /nfs/dbraw/zinc/27/88/11/385278811.db2.gz QEGRBDHMGDIINL-PRJMDXOYSA-N 0 3 220.276 0.830 20 0 BCADHN OCC[C@H]1CCCCN1CCn1cncn1 ZINC000069249297 385281249 /nfs/dbraw/zinc/28/12/49/385281249.db2.gz NODQEBYNGBJMKR-LLVKDONJSA-N 0 3 224.308 0.515 20 0 BCADHN CCCN[C@H](C)C(=O)Nc1ccnn1C ZINC000569236474 385296444 /nfs/dbraw/zinc/29/64/44/385296444.db2.gz PRJKRHVYZNURHV-MRVPVSSYSA-N 0 3 210.281 0.747 20 0 BCADHN COC(=O)c1ccc(CNC2(CO)CCC2)[nH]1 ZINC000167072203 385296866 /nfs/dbraw/zinc/29/68/66/385296866.db2.gz WGSVISBZVVZFIJ-UHFFFAOYSA-N 0 3 238.287 0.806 20 0 BCADHN Cc1nn(C)cc1CNC[C@]1(O)CCO[C@@H]1C ZINC000227969875 385299825 /nfs/dbraw/zinc/29/98/25/385299825.db2.gz ZEEIISQHVNDPIE-ZYHUDNBSSA-N 0 3 239.319 0.358 20 0 BCADHN Cc1noc(C)c1CNC[C@@]1(O)CCO[C@H]1C ZINC000227972064 385300108 /nfs/dbraw/zinc/30/01/08/385300108.db2.gz YKBLMTVSKVSWIC-JQWIXIFHSA-N 0 3 240.303 0.921 20 0 BCADHN Cn1cncc1CNC[C@@](C)(O)C1CC1 ZINC000308992433 385336315 /nfs/dbraw/zinc/33/63/15/385336315.db2.gz OGYYTZHNBOFRET-LLVKDONJSA-N 0 3 209.293 0.671 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@H](N)C(C)C ZINC000308994377 385336436 /nfs/dbraw/zinc/33/64/36/385336436.db2.gz WXAKGYKLFLSPMP-VXNVDRBHSA-N 0 3 216.281 0.038 20 0 BCADHN C[C@H](N[C@@H]1CCOC1)C(=O)NCc1ccco1 ZINC000131491645 385337874 /nfs/dbraw/zinc/33/78/74/385337874.db2.gz XWFZXZMEACIEHN-VHSXEESVSA-N 0 3 238.287 0.663 20 0 BCADHN CNC(=O)C1CN(C[C@@H](OC)C2CC2)C1 ZINC000425432828 385337846 /nfs/dbraw/zinc/33/78/46/385337846.db2.gz LWIPAGBXLLCRRD-SNVBAGLBSA-N 0 3 212.293 0.089 20 0 BCADHN Cn1cncc1CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000644733254 385339363 /nfs/dbraw/zinc/33/93/63/385339363.db2.gz NILLQEHJYDYLES-ZYHUDNBSSA-N 0 3 220.320 0.556 20 0 BCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)CO ZINC000407996149 385342364 /nfs/dbraw/zinc/34/23/64/385342364.db2.gz OQPAKBKQCGDXDS-UWVGGRQHSA-N 0 3 214.309 0.215 20 0 BCADHN CCN1C[C@@H](N[C@@H]2COC(C)(C)C2)CC1=O ZINC000335358410 385346115 /nfs/dbraw/zinc/34/61/15/385346115.db2.gz PAWICXVTFYGWIP-UWVGGRQHSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](CNC(=O)CNC[C@@H]1CCCO1)C1CC1 ZINC000643982504 385348727 /nfs/dbraw/zinc/34/87/27/385348727.db2.gz NNSQRXOADLERCD-PWSUYJOCSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@@H](NCCNC(=O)C1CC1)c1ccnn1C ZINC000192252943 385349679 /nfs/dbraw/zinc/34/96/79/385349679.db2.gz CUCAMWVAJBECES-SECBINFHSA-N 0 3 236.319 0.597 20 0 BCADHN Cn1cccc1C(=O)CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644735126 385352146 /nfs/dbraw/zinc/35/21/46/385352146.db2.gz VQLZRFSGGCSNTI-YPMHNXCESA-N 0 3 247.342 0.844 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2Cc2c[nH]cn2)C1 ZINC000644733733 385353960 /nfs/dbraw/zinc/35/39/60/385353960.db2.gz LHLXMPGXAYPOBS-ONGXEEELSA-N 0 3 206.293 0.546 20 0 BCADHN Cc1nnc(CN2CC[C@@H]3CN(C)C[C@H]32)[nH]1 ZINC000644734048 385354460 /nfs/dbraw/zinc/35/44/60/385354460.db2.gz QNNSIAVFQBCCFW-NXEZZACHSA-N 0 3 221.308 0.249 20 0 BCADHN Cc1c(CN2CC[C@@H]3CN(C)C[C@@H]32)cnn1C ZINC000644733717 385355071 /nfs/dbraw/zinc/35/50/71/385355071.db2.gz LSTPCIRWICBHPF-YPMHNXCESA-N 0 3 234.347 0.864 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cscn2)[C@H]1C ZINC000262754885 385356734 /nfs/dbraw/zinc/35/67/34/385356734.db2.gz HIJMCWDUGAUJIO-YUMQZZPRSA-N 0 3 225.317 0.966 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccnnc1 ZINC000131797699 385360888 /nfs/dbraw/zinc/36/08/88/385360888.db2.gz RNKAPBJBGHXIFN-LLVKDONJSA-N 0 3 248.330 0.890 20 0 BCADHN C[C@](O)(CNCc1cncnc1)C1CC1 ZINC000309001686 385363125 /nfs/dbraw/zinc/36/31/25/385363125.db2.gz RXCKCSRWHKOCRZ-NSHDSACASA-N 0 3 207.277 0.727 20 0 BCADHN Cc1cnn([C@@H]2CCCN(C(=O)[C@H](C)N)C2)c1 ZINC000168359108 385363849 /nfs/dbraw/zinc/36/38/49/385363849.db2.gz DCNKXSJFORBJBC-WDEREUQCSA-N 0 3 236.319 0.702 20 0 BCADHN Cc1cnn([C@@H]2CCCN(C(=O)C3(N)CC3)C2)c1 ZINC000168348600 385364725 /nfs/dbraw/zinc/36/47/25/385364725.db2.gz MDZMPNMQIDPNKI-LLVKDONJSA-N 0 3 248.330 0.846 20 0 BCADHN C[C@H](N[C@H]1CCOC1)C1(S(C)(=O)=O)CC1 ZINC000309022171 385365756 /nfs/dbraw/zinc/36/57/56/385365756.db2.gz XUGQRVVWWQWMQZ-IUCAKERBSA-N 0 3 233.333 0.331 20 0 BCADHN O=C(CNC1(CO)CCCC1)Nc1ccncc1 ZINC000179064295 385366117 /nfs/dbraw/zinc/36/61/17/385366117.db2.gz MJZSDINIUYACNM-UHFFFAOYSA-N 0 3 249.314 0.915 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NC[C@H]1CCCOC1 ZINC000644005792 385370003 /nfs/dbraw/zinc/37/00/03/385370003.db2.gz DTLYIKJTJAFTSN-NXEZZACHSA-N 0 3 226.320 0.527 20 0 BCADHN COC[C@H](O)CNCc1ccnn1C(C)C ZINC000280775790 385370756 /nfs/dbraw/zinc/37/07/56/385370756.db2.gz FKNMWQXTSYYXIP-LLVKDONJSA-N 0 3 227.308 0.561 20 0 BCADHN CCCCNC(=O)[C@H](C)N1CCNCC1 ZINC000019976884 385371140 /nfs/dbraw/zinc/37/11/40/385371140.db2.gz BQNUFWVCTIINIG-JTQLQIEISA-N 0 3 213.325 0.196 20 0 BCADHN Cc1cnc(CN[C@@H](C)[C@@H](C)CO)n1C ZINC000309016505 385371441 /nfs/dbraw/zinc/37/14/41/385371441.db2.gz UOXCYZIFNRPQHA-WPRPVWTQSA-N 0 3 211.309 0.835 20 0 BCADHN C[C@H](O)CN1CCCC[C@@]1(C)C(N)=O ZINC000192801114 385372208 /nfs/dbraw/zinc/37/22/08/385372208.db2.gz ISTQBEBNZGCFFI-WPRPVWTQSA-N 0 3 200.282 0.097 20 0 BCADHN C[C@H](CNC(=O)N[C@@H]1CCOC1)N(C)C1CC1 ZINC000179254249 385372794 /nfs/dbraw/zinc/37/27/94/385372794.db2.gz IRXDHCACQDWSPS-NXEZZACHSA-N 0 3 241.335 0.557 20 0 BCADHN CCOCCOCCN(C)C[C@H](C)O ZINC000192818064 385373531 /nfs/dbraw/zinc/37/35/31/385373531.db2.gz ILZBMUKWQADRKE-JTQLQIEISA-N 0 3 205.298 0.352 20 0 BCADHN COC(C)(C)CNC(=O)[C@@H](N)CC(F)F ZINC000309036821 385374137 /nfs/dbraw/zinc/37/41/37/385374137.db2.gz GSAUTVQBYQVGDS-LURJTMIESA-N 0 3 224.251 0.510 20 0 BCADHN COCC[C@](C)(O)CN[C@H](C)c1ccnn1C ZINC000192871522 385374526 /nfs/dbraw/zinc/37/45/26/385374526.db2.gz QPBHADGTQULBHB-PWSUYJOCSA-N 0 3 241.335 0.858 20 0 BCADHN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccco1 ZINC000309021438 385374789 /nfs/dbraw/zinc/37/47/89/385374789.db2.gz XIBOEENKBSYZBI-ZETCQYMHSA-N 0 3 218.278 0.295 20 0 BCADHN O=C1OCC[C@@H]2CCN(C[C@@H]3CCOC3)[C@@H]12 ZINC000364347738 385376158 /nfs/dbraw/zinc/37/61/58/385376158.db2.gz PCPYFHUCUDGTGQ-GARJFASQSA-N 0 3 225.288 0.660 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)C2(C)COC2)C1 ZINC000335983995 385380577 /nfs/dbraw/zinc/38/05/77/385380577.db2.gz VHNSIPRLIXZWRA-JTQLQIEISA-N 0 3 226.320 0.576 20 0 BCADHN Cn1nccc1NC(=O)[C@@H]1CNCCC1(F)F ZINC000644019180 385381587 /nfs/dbraw/zinc/38/15/87/385381587.db2.gz VMJXVOWSMSYYRS-ZETCQYMHSA-N 0 3 244.245 0.603 20 0 BCADHN CCCCN(CCO)CCn1cncn1 ZINC000309051398 385384428 /nfs/dbraw/zinc/38/44/28/385384428.db2.gz QALOYUZQYIVEJL-UHFFFAOYSA-N 0 3 212.297 0.373 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@H]1CCCOC1 ZINC000309054872 385385858 /nfs/dbraw/zinc/38/58/58/385385858.db2.gz SHIINZFHGNKSFY-NKWVEPMBSA-N 0 3 222.235 0.264 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000157998872 385324738 /nfs/dbraw/zinc/32/47/38/385324738.db2.gz KVDSMBNXNZKDLH-MMWGEVLESA-N 0 3 238.331 0.798 20 0 BCADHN CCOC[C@H](O)CN(CC)[C@@H]1CCOC1 ZINC000308983701 385325239 /nfs/dbraw/zinc/32/52/39/385325239.db2.gz FXUUULQBEMDUJG-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN C[C@H](N)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000178038190 385326302 /nfs/dbraw/zinc/32/63/02/385326302.db2.gz MPRYVBDYBXBUGG-IUCAKERBSA-N 0 3 222.288 0.703 20 0 BCADHN CN(C)CCN(C)C(=O)Nc1ccncn1 ZINC000194195639 385424916 /nfs/dbraw/zinc/42/49/16/385424916.db2.gz MIAHNBMALBZNDL-UHFFFAOYSA-N 0 3 223.280 0.502 20 0 BCADHN COC(=O)c1ccc(N[C@@H](C)CN(C)C)nn1 ZINC000168944589 385392790 /nfs/dbraw/zinc/39/27/90/385392790.db2.gz PWDOUPNHTCTHHR-QMMMGPOBSA-N 0 3 238.291 0.625 20 0 BCADHN CC(C)(C)NC(=O)CN[C@H](CO)C(C)(C)C ZINC000180637173 385393942 /nfs/dbraw/zinc/39/39/42/385393942.db2.gz VUOXZFWBGWPFDJ-SECBINFHSA-N 0 3 230.352 0.898 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000644045497 385395556 /nfs/dbraw/zinc/39/55/56/385395556.db2.gz ASUAUGSOMURPCW-SNVBAGLBSA-N 0 3 247.298 0.722 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCC[C@@H](C)OC ZINC000309060567 385395734 /nfs/dbraw/zinc/39/57/34/385395734.db2.gz WHOHAPGTXIXUAH-NXEZZACHSA-N 0 3 237.365 0.824 20 0 BCADHN CC1(C)CN[C@H]1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000644045496 385395736 /nfs/dbraw/zinc/39/57/36/385395736.db2.gz ASUAUGSOMURPCW-JTQLQIEISA-N 0 3 247.298 0.722 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H]2NCC2(C)C)CCCO1 ZINC000644045820 385395788 /nfs/dbraw/zinc/39/57/88/385395788.db2.gz MMMKEYQHIHXQSI-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2NCC2(C)C)CCCO1 ZINC000644045819 385396091 /nfs/dbraw/zinc/39/60/91/385396091.db2.gz MMMKEYQHIHXQSI-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN CN1CCC(CC(=O)NCC(C)(C)CO)CC1 ZINC000644041381 385396230 /nfs/dbraw/zinc/39/62/30/385396230.db2.gz SDTMTDQZOMEREK-UHFFFAOYSA-N 0 3 242.363 0.853 20 0 BCADHN CCC1(CNCc2cnn(C)c2)COC1 ZINC000309061743 385397405 /nfs/dbraw/zinc/39/74/05/385397405.db2.gz XCAUVVCAWHJTKF-UHFFFAOYSA-N 0 3 209.293 0.936 20 0 BCADHN C[C@@H](O)CNCc1cc(C(F)(F)F)n[nH]1 ZINC000309077393 385398542 /nfs/dbraw/zinc/39/85/42/385398542.db2.gz MCMPATWOHJSMKX-RXMQYKEDSA-N 0 3 223.198 0.899 20 0 BCADHN Cn1cccc(NC(=O)[C@H]2NCC2(C)C)c1=O ZINC000644051980 385398670 /nfs/dbraw/zinc/39/86/70/385398670.db2.gz YTWNHFSGSONJIZ-SECBINFHSA-N 0 3 235.287 0.322 20 0 BCADHN CCc1cc(CNC(=O)[C@@H]2NCC2(C)C)on1 ZINC000644051904 385398839 /nfs/dbraw/zinc/39/88/39/385398839.db2.gz IZEPPSVUXSDJMY-JTQLQIEISA-N 0 3 237.303 0.851 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NC[C@@]1(C)CCCO1 ZINC000644051944 385399014 /nfs/dbraw/zinc/39/90/14/385399014.db2.gz SDOUTJVFFQEBRK-BXKDBHETSA-N 0 3 226.320 0.670 20 0 BCADHN CC(C)(C)[C@@H](CO)NCC(=O)NC1CC1 ZINC000180621650 385399204 /nfs/dbraw/zinc/39/92/04/385399204.db2.gz RLYOWHUARJLZCQ-SECBINFHSA-N 0 3 214.309 0.262 20 0 BCADHN Cn1nccc1CN[C@H](CO)C(C)(C)C ZINC000180628133 385399294 /nfs/dbraw/zinc/39/92/94/385399294.db2.gz UVRVKNZNRIEPDO-SNVBAGLBSA-N 0 3 211.309 0.917 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000155613218 385399768 /nfs/dbraw/zinc/39/97/68/385399768.db2.gz YPOXGWBDGXWXEO-ZJUUUORDSA-N 0 3 249.314 0.155 20 0 BCADHN Cc1c[nH]nc1CNCCn1ccnc1 ZINC000309083848 385401021 /nfs/dbraw/zinc/40/10/21/385401021.db2.gz UOAKENDDXBIWOI-UHFFFAOYSA-N 0 3 205.265 0.704 20 0 BCADHN CC(C(=O)N(C)CC(F)F)S(C)(=O)=O ZINC000408060589 385403766 /nfs/dbraw/zinc/40/37/66/385403766.db2.gz GZDCELJBZPBNSO-YFKPBYRVSA-N 0 3 229.248 0.143 20 0 BCADHN C[C@@H](C1CC1)N(C)C(=O)CCOC1CNC1 ZINC000644056216 385405788 /nfs/dbraw/zinc/40/57/88/385405788.db2.gz YREZMNCYHLWOLG-VIFPVBQESA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@H](CNC(=O)[C@H]1NCC1(C)C)C(C)C ZINC000644054668 385406197 /nfs/dbraw/zinc/40/61/97/385406197.db2.gz LWKKMWFLHMCYTN-NXEZZACHSA-N 0 3 228.336 0.772 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)Nc1cccc(C(N)=O)c1 ZINC000644057166 385408459 /nfs/dbraw/zinc/40/84/59/385408459.db2.gz PTTMOKYIOPMBEA-SNVBAGLBSA-N 0 3 247.298 0.722 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000307731876 385410758 /nfs/dbraw/zinc/41/07/58/385410758.db2.gz KTMCSDMFLHWPER-RBXMUDONSA-N 0 3 200.282 0.276 20 0 BCADHN CCOC(=O)CCCCNC1(C(N)=O)CC1 ZINC000181726266 385412194 /nfs/dbraw/zinc/41/21/94/385412194.db2.gz ILLZXEKFSLZYFA-UHFFFAOYSA-N 0 3 228.292 0.327 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc[nH]1 ZINC000178714671 385414569 /nfs/dbraw/zinc/41/45/69/385414569.db2.gz XAHOUJLVBXHKLB-NSHDSACASA-N 0 3 225.292 0.057 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000155904771 385420379 /nfs/dbraw/zinc/42/03/79/385420379.db2.gz JVKLLTLDJRQMBQ-WDEREUQCSA-N 0 3 240.278 0.713 20 0 BCADHN CCn1cc(C(=O)N2CCNCC2(C)C)cn1 ZINC000644075021 385422923 /nfs/dbraw/zinc/42/29/23/385422923.db2.gz PITIOJOIOYHIQH-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCOC(C)(C)C1 ZINC000644078329 385423152 /nfs/dbraw/zinc/42/31/52/385423152.db2.gz ZLLJHAJLAVUNGG-SECBINFHSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@H](NCC(=O)N(C)C)[C@@H]1CCCO1 ZINC000182373522 385441645 /nfs/dbraw/zinc/44/16/45/385441645.db2.gz RVGHDYUVVMSBFV-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CN(C)CCNC(=O)NCc1ccoc1 ZINC000179216223 385452126 /nfs/dbraw/zinc/45/21/26/385452126.db2.gz CQTTYBQLLHERID-UHFFFAOYSA-N 0 3 211.265 0.640 20 0 BCADHN CO[C@H]1CCCN(CCn2ccnc2)C1 ZINC000179243479 385454308 /nfs/dbraw/zinc/45/43/08/385454308.db2.gz POGHWGWQRRWFAN-NSHDSACASA-N 0 3 209.293 0.994 20 0 BCADHN CC[C@H](COC)N[C@@H](C)C(=O)NCCF ZINC000309191332 385457157 /nfs/dbraw/zinc/45/71/57/385457157.db2.gz PSJKULJRPWNJQD-DTWKUNHWSA-N 0 3 220.288 0.475 20 0 BCADHN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1ccco1 ZINC000309129106 385429747 /nfs/dbraw/zinc/42/97/47/385429747.db2.gz QRGJYROXCYYNGK-SSDOTTSWSA-N 0 3 218.278 0.295 20 0 BCADHN C=Cn1cc(CNCCOCCOC)cn1 ZINC000194352300 385432075 /nfs/dbraw/zinc/43/20/75/385432075.db2.gz HCWMEJMKEQTURA-UHFFFAOYSA-N 0 3 225.292 0.736 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@H]1C[C@@H]1C(F)F ZINC000492882912 385457335 /nfs/dbraw/zinc/45/73/35/385457335.db2.gz AAHSLLNPNUOSQV-FBJRUSGASA-N 0 3 218.247 0.874 20 0 BCADHN C[C@@H]1C[C@H]1CNCc1nnc2n1CCC2 ZINC000309140758 385433307 /nfs/dbraw/zinc/43/33/07/385433307.db2.gz SYIGORLFOYCFPZ-BDAKNGLRSA-N 0 3 206.293 0.970 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CC[C@@H](O)C1 ZINC000580230722 385435864 /nfs/dbraw/zinc/43/58/64/385435864.db2.gz UHNSTQGWMQEETK-IVZWLZJFSA-N 0 3 214.309 0.214 20 0 BCADHN CCN(CCNC(=O)c1cnns1)C1CC1 ZINC000171140690 385468733 /nfs/dbraw/zinc/46/87/33/385468733.db2.gz KMHMPYZRMCQDEF-UHFFFAOYSA-N 0 3 240.332 0.752 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000156902392 385472240 /nfs/dbraw/zinc/47/22/40/385472240.db2.gz NLZJZFHVYYFNHM-NSHDSACASA-N 0 3 245.286 0.943 20 0 BCADHN O=C(CNC1CC1)Nc1cnc2c(c1)CNCC2 ZINC000644102353 385472265 /nfs/dbraw/zinc/47/22/65/385472265.db2.gz GLBOVXQLSPGGRF-UHFFFAOYSA-N 0 3 246.314 0.418 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1CCCCNC1=O ZINC000289810388 385472622 /nfs/dbraw/zinc/47/26/22/385472622.db2.gz IUXZSRKUWGMIEF-SECBINFHSA-N 0 3 222.292 0.476 20 0 BCADHN c1c(-c2ccccc2)nnn1C[C@H]1CNCCO1 ZINC000166175689 385476074 /nfs/dbraw/zinc/47/60/74/385476074.db2.gz NRMNEBCFLRSJLQ-GFCCVEGCSA-N 0 3 244.298 0.934 20 0 BCADHN Cn1cccc1CN1CCC[C@H](OCCO)C1 ZINC000179580382 385476219 /nfs/dbraw/zinc/47/62/19/385476219.db2.gz VUTQXIOCYTYBSO-ZDUSSCGKSA-N 0 3 238.331 0.998 20 0 BCADHN Cc1cc(C)n(CCN(CCO)C[C@H](C)O)n1 ZINC000289806440 385476639 /nfs/dbraw/zinc/47/66/39/385476639.db2.gz NGFGPSCIAKCGHL-LBPRGKRZSA-N 0 3 241.335 0.175 20 0 BCADHN O=C1C[C@H](c2ccccc2)N(CCCO)CCN1 ZINC000171347165 385478544 /nfs/dbraw/zinc/47/85/44/385478544.db2.gz PQFYIBYDYQMUMU-CYBMUJFWSA-N 0 3 248.326 0.932 20 0 BCADHN Cn1cc(CNCCCn2cccn2)cn1 ZINC000157022580 385481509 /nfs/dbraw/zinc/48/15/09/385481509.db2.gz PTVDXHTYFGOGKS-UHFFFAOYSA-N 0 3 219.292 0.797 20 0 BCADHN Cn1ccnc1CNCCCn1cccn1 ZINC000157060036 385483461 /nfs/dbraw/zinc/48/34/61/385483461.db2.gz BASBSDICDLPSRE-UHFFFAOYSA-N 0 3 219.292 0.797 20 0 BCADHN CN(CC(N)=O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364639048 385483731 /nfs/dbraw/zinc/48/37/31/385483731.db2.gz ZIGFAPRTSOVUDM-SZEHBUNVSA-N 0 3 212.293 0.217 20 0 BCADHN CCN(C)CCNCc1csnn1 ZINC000054110304 385485284 /nfs/dbraw/zinc/48/52/84/385485284.db2.gz NDMCOIFPPATMKA-UHFFFAOYSA-N 0 3 200.311 0.579 20 0 BCADHN CCc1cccc(NC(=O)CNC(=O)[C@H](C)N)c1 ZINC000157099426 385486019 /nfs/dbraw/zinc/48/60/19/385486019.db2.gz UCGCPQNRZBTQNL-VIFPVBQESA-N 0 3 249.314 0.651 20 0 BCADHN C[C@@H](N)C(=O)NCc1cccnc1-n1cccn1 ZINC000195153478 385462055 /nfs/dbraw/zinc/46/20/55/385462055.db2.gz VYFJZMAHLFMPAO-SECBINFHSA-N 0 3 245.286 0.231 20 0 BCADHN CCNC(=O)[C@H](C)NC[C@H](OC)C1CC1 ZINC000378751814 385492628 /nfs/dbraw/zinc/49/26/28/385492628.db2.gz PDVGBUNANCJYKV-WPRPVWTQSA-N 0 3 214.309 0.526 20 0 BCADHN Cc1nsc(NC(=O)[C@H](C)NC2CC2)n1 ZINC000295209552 385495245 /nfs/dbraw/zinc/49/52/45/385495245.db2.gz PYDNCFWTEQOFDA-YFKPBYRVSA-N 0 3 226.305 0.926 20 0 BCADHN Cc1nsc(NC(=O)[C@@H](C)NC2CC2)n1 ZINC000295209551 385496659 /nfs/dbraw/zinc/49/66/59/385496659.db2.gz PYDNCFWTEQOFDA-RXMQYKEDSA-N 0 3 226.305 0.926 20 0 BCADHN Cc1nc(CNC2(CO)CCCC2)n[nH]1 ZINC000309243240 385497876 /nfs/dbraw/zinc/49/78/76/385497876.db2.gz YSHRZABQCBNKDT-UHFFFAOYSA-N 0 3 210.281 0.508 20 0 BCADHN CC[C@H](O)CN1CCC(N(C)C(C)=O)CC1 ZINC000106384429 385504976 /nfs/dbraw/zinc/50/49/76/385504976.db2.gz HJCSIZJFKRCGSS-LBPRGKRZSA-N 0 3 228.336 0.700 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccncn3)[C@H]2C1 ZINC000644810821 385506798 /nfs/dbraw/zinc/50/67/98/385506798.db2.gz LSBNXYLJBOBKQV-KOLCDFICSA-N 0 3 232.287 0.253 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@H](O)C1(C)C ZINC000309277700 385508106 /nfs/dbraw/zinc/50/81/06/385508106.db2.gz MNKCVOFLXYTGCQ-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN C[S@](=O)C[C@H](NCCO)c1ccccc1 ZINC000183113878 385508962 /nfs/dbraw/zinc/50/89/62/385508962.db2.gz WYFXKOXYDNZSCL-NHYWBVRUSA-N 0 3 227.329 0.688 20 0 BCADHN CN(C)CCSCC(=O)N(C)C1CC1 ZINC000106460613 385509397 /nfs/dbraw/zinc/50/93/97/385509397.db2.gz OJJURHVHNDFIJH-UHFFFAOYSA-N 0 3 216.350 0.902 20 0 BCADHN CC[C@H](NC(=O)[C@@H](N)CC(F)F)C(=O)OC ZINC000309279909 385510181 /nfs/dbraw/zinc/51/01/81/385510181.db2.gz HPWPOCMCYKQASW-WDSKDSINSA-N 0 3 238.234 0.037 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@](C)(O)C1 ZINC000180184345 385511916 /nfs/dbraw/zinc/51/19/16/385511916.db2.gz BIOOPFGBCJHBNV-NSHDSACASA-N 0 3 209.293 0.685 20 0 BCADHN CCN(C)CCNCc1cnn(CC)c1 ZINC000054111824 385490333 /nfs/dbraw/zinc/49/03/33/385490333.db2.gz YILUODLUUTZGDZ-UHFFFAOYSA-N 0 3 210.325 0.944 20 0 BCADHN COCCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171896370 385528876 /nfs/dbraw/zinc/52/88/76/385528876.db2.gz SWBCERFAWRYIDO-SNVBAGLBSA-N 0 3 227.308 0.122 20 0 BCADHN CC(C)N1CCC(N2C(=O)N[C@@H](C)C2=O)CC1 ZINC000334278458 385530178 /nfs/dbraw/zinc/53/01/78/385530178.db2.gz FAQYDOROBDYANY-VIFPVBQESA-N 0 3 239.319 0.800 20 0 BCADHN CC(C)N(C)C[C@H](C)NS(C)(=O)=O ZINC000308215936 385537623 /nfs/dbraw/zinc/53/76/23/385537623.db2.gz ZTTBSNUFUJWXMW-QMMMGPOBSA-N 0 3 208.327 0.264 20 0 BCADHN CCOCCNC(=O)CSCCN(C)C ZINC000106908051 385539237 /nfs/dbraw/zinc/53/92/37/385539237.db2.gz UVXAIIGTQUIHCO-UHFFFAOYSA-N 0 3 234.365 0.434 20 0 BCADHN C[C@H](CO)N(C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000498051244 385541915 /nfs/dbraw/zinc/54/19/15/385541915.db2.gz ZNJRJOSFXBJGBA-HBNTYKKESA-N 0 3 243.351 0.491 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccncc3)[C@H]2C1 ZINC000644813415 385542038 /nfs/dbraw/zinc/54/20/38/385542038.db2.gz GQEDJWUSCXTSRT-NEPJUHHUSA-N 0 3 231.299 0.858 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccncc2)C1 ZINC000644813421 385542162 /nfs/dbraw/zinc/54/21/62/385542162.db2.gz GQEDJWUSCXTSRT-RYUDHWBXSA-N 0 3 231.299 0.858 20 0 BCADHN CC[C@@H](C)N(CCO)CC(=O)NC(C)(C)C ZINC000309345694 385544896 /nfs/dbraw/zinc/54/48/96/385544896.db2.gz WKMOHDPMJFDTTH-SNVBAGLBSA-N 0 3 230.352 0.994 20 0 BCADHN CCN1CCC[C@@H](NC(=O)N(C)CCO)C1 ZINC000408064931 385544952 /nfs/dbraw/zinc/54/49/52/385544952.db2.gz MNOHARHEUDBQCL-SNVBAGLBSA-N 0 3 229.324 0.104 20 0 BCADHN N[C@H](CC(F)F)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000309346724 385546172 /nfs/dbraw/zinc/54/61/72/385546172.db2.gz WQEFFUVPOLQNIQ-RNJXMRFFSA-N 0 3 236.262 0.246 20 0 BCADHN COC(CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)OC ZINC000364958370 385547220 /nfs/dbraw/zinc/54/72/20/385547220.db2.gz YWLAIHWHHZIBMM-IQJOONFLSA-N 0 3 242.319 0.191 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2c[nH]cn2)C1 ZINC000644813946 385547568 /nfs/dbraw/zinc/54/75/68/385547568.db2.gz HGBZHIYEIZFEOI-WPRPVWTQSA-N 0 3 220.276 0.186 20 0 BCADHN COC(CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)OC ZINC000364958371 385547991 /nfs/dbraw/zinc/54/79/91/385547991.db2.gz YWLAIHWHHZIBMM-NGZCFLSTSA-N 0 3 242.319 0.191 20 0 BCADHN CCCn1cc(C(=O)NCCN(C)CC)cn1 ZINC000180807050 385548082 /nfs/dbraw/zinc/54/80/82/385548082.db2.gz QZVOSMUSZGBQJM-UHFFFAOYSA-N 0 3 238.335 0.975 20 0 BCADHN C[C@@H]1C[C@@H](C)N(C(=O)CN2CCNCC2)C1 ZINC000157789843 385521365 /nfs/dbraw/zinc/52/13/65/385521365.db2.gz ZKZGGHCUBPKPCJ-GHMZBOCLSA-N 0 3 225.336 0.149 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc(N2CCCC2=O)cn1 ZINC000157806298 385524321 /nfs/dbraw/zinc/52/43/21/385524321.db2.gz PDEHWARTGXRWTH-MRVPVSSYSA-N 0 3 248.286 0.494 20 0 BCADHN Cc1nscc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644142381 385525740 /nfs/dbraw/zinc/52/57/40/385525740.db2.gz QBPONJOHTZSHNZ-YUMQZZPRSA-N 0 3 243.307 0.881 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc(F)cn1 ZINC000644142984 385525991 /nfs/dbraw/zinc/52/59/91/385525991.db2.gz UEGTZIZHXUUZQF-IUCAKERBSA-N 0 3 241.241 0.651 20 0 BCADHN C[C@@H]1C[C@@H](C)[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)O1 ZINC000644142799 385526072 /nfs/dbraw/zinc/52/60/72/385526072.db2.gz IKNXEHTWDXQCMP-SAVGLBRCSA-N 0 3 244.310 0.616 20 0 BCADHN [NH3+][C@H]1CCC[C@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000643030422 385526183 /nfs/dbraw/zinc/52/61/83/385526183.db2.gz SBBNFHYSMYFKQG-YUMQZZPRSA-N 0 3 232.291 0.408 20 0 BCADHN CO[C@@H](C)CCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644143044 385526222 /nfs/dbraw/zinc/52/62/22/385526222.db2.gz YBCQZKQRWAAEPN-GUBZILKMSA-N 0 3 232.299 0.618 20 0 BCADHN CCO[C@H](CC)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644142970 385526408 /nfs/dbraw/zinc/52/64/08/385526408.db2.gz SPXZNLZDYZQZPK-LPEHRKFASA-N 0 3 232.299 0.618 20 0 BCADHN C[C@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)CCO1 ZINC000644142753 385526979 /nfs/dbraw/zinc/52/69/79/385526979.db2.gz FAVKTQLZASBJHX-VLEAKVRGSA-N 0 3 244.310 0.618 20 0 BCADHN OC[C@H]1CSCCN1C[C@H]1CCCO1 ZINC000334274144 385527763 /nfs/dbraw/zinc/52/77/63/385527763.db2.gz QDAUHULNGSNRPG-VHSXEESVSA-N 0 3 217.334 0.575 20 0 BCADHN CN(CC(=O)NC1CC1)C[C@@H]1CCCOC1 ZINC000107694324 385575883 /nfs/dbraw/zinc/57/58/83/385575883.db2.gz CQOOUUGVWJYELO-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)c1cnn(C)c1)N(C)C ZINC000158153031 385550568 /nfs/dbraw/zinc/55/05/68/385550568.db2.gz MLNMRUZIICJEAV-KOLCDFICSA-N 0 3 238.335 0.938 20 0 BCADHN CN(CC(=O)NC1CC1)C[C@H]1CCCOC1 ZINC000107694329 385576460 /nfs/dbraw/zinc/57/64/60/385576460.db2.gz CQOOUUGVWJYELO-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H]1[C@H](NCc2nccn2C)CCCN1C ZINC000309383766 385556648 /nfs/dbraw/zinc/55/66/48/385556648.db2.gz DSHTXFANNCNVIO-GHMZBOCLSA-N 0 3 222.336 0.992 20 0 BCADHN COC[C@H](N[C@H]1CCCOC1)[C@H]1CCCO1 ZINC000309379857 385557473 /nfs/dbraw/zinc/55/74/73/385557473.db2.gz AEEAEFGLMUOLPZ-SDDRHHMPSA-N 0 3 229.320 0.949 20 0 BCADHN Cn1cccc(NC(=O)[C@@]2(C)CCCCN2)c1=O ZINC000180955604 385557968 /nfs/dbraw/zinc/55/79/68/385557968.db2.gz GYZSPDZCEXJSFL-CYBMUJFWSA-N 0 3 249.314 0.856 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@H](N)C(C)C ZINC000309377298 385558154 /nfs/dbraw/zinc/55/81/54/385558154.db2.gz CUVHWXBVPGZJLP-IVZWLZJFSA-N 0 3 216.325 0.493 20 0 BCADHN CCN1CC[C@H](NC(=O)C=Cc2c[nH]cn2)C1 ZINC000493297431 385560499 /nfs/dbraw/zinc/56/04/99/385560499.db2.gz DJAYQKRHNXNUDI-UFFNRZRYSA-N 0 3 234.303 0.633 20 0 BCADHN CC[C@H]1CCCN(CCNS(C)(=O)=O)C1 ZINC000107298766 385562913 /nfs/dbraw/zinc/56/29/13/385562913.db2.gz GLZMBFILHZMKGT-JTQLQIEISA-N 0 3 234.365 0.658 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000408150735 385570383 /nfs/dbraw/zinc/57/03/83/385570383.db2.gz WYCJXMHFBJKWSM-HBNTYKKESA-N 0 3 242.363 0.979 20 0 BCADHN Cc1c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cnn1C ZINC000644815594 385570431 /nfs/dbraw/zinc/57/04/31/385570431.db2.gz QSDCHPJFKSRZMK-PWSUYJOCSA-N 0 3 248.330 0.505 20 0 BCADHN Cc1c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cnn1C ZINC000644815593 385570512 /nfs/dbraw/zinc/57/05/12/385570512.db2.gz QSDCHPJFKSRZMK-JQWIXIFHSA-N 0 3 248.330 0.505 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cccc(C(N)=O)c1 ZINC000054076399 385594191 /nfs/dbraw/zinc/59/41/91/385594191.db2.gz HBDOCPDIOQZYQT-ZETCQYMHSA-N 0 3 221.260 0.332 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cnc(C)s1 ZINC000054076502 385594242 /nfs/dbraw/zinc/59/42/42/385594242.db2.gz XXLHJZQAZCHVHS-LURJTMIESA-N 0 3 213.306 0.676 20 0 BCADHN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1cccs1 ZINC000063171242 385594962 /nfs/dbraw/zinc/59/49/62/385594962.db2.gz AZUMBCVBRGVQCB-ZETCQYMHSA-N 0 3 234.346 0.764 20 0 BCADHN CN[C@@H](C)C(=O)N(C)Cc1cc(C)on1 ZINC000054072543 385596149 /nfs/dbraw/zinc/59/61/49/385596149.db2.gz SHKCCETUVIUVQJ-QMMMGPOBSA-N 0 3 211.265 0.549 20 0 BCADHN CCCCN1CCC[C@@H]1CS(N)(=O)=O ZINC000408168819 385597270 /nfs/dbraw/zinc/59/72/70/385597270.db2.gz LXZWCPYGTDXWGX-SECBINFHSA-N 0 3 220.338 0.539 20 0 BCADHN Cc1nccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000644816802 385597593 /nfs/dbraw/zinc/59/75/93/385597593.db2.gz WZFMCKAFQWCKSQ-PWSUYJOCSA-N 0 3 246.314 0.561 20 0 BCADHN NC(=O)[C@@H]1CCCN1CC[C@H]1CCCCO1 ZINC000408195674 385598703 /nfs/dbraw/zinc/59/87/03/385598703.db2.gz SLUWUGLHGRLVQY-MNOVXSKESA-N 0 3 226.320 0.895 20 0 BCADHN CO[C@H](C)CCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644816916 385599472 /nfs/dbraw/zinc/59/94/72/385599472.db2.gz XWKOKDIOKWGDHD-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN COC[C@H](N[C@H](C)C(=O)NCCF)C(C)C ZINC000309472643 385600725 /nfs/dbraw/zinc/60/07/25/385600725.db2.gz RBRWREUORDINBS-ZJUUUORDSA-N 0 3 234.315 0.721 20 0 BCADHN c1cnn([C@@H]2CCCN(CCn3cncn3)C2)c1 ZINC000365121415 385606723 /nfs/dbraw/zinc/60/67/23/385606723.db2.gz QCMKSRWRVWZBBS-GFCCVEGCSA-N 0 3 246.318 0.812 20 0 BCADHN CCC[C@H](C)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000337314972 385605008 /nfs/dbraw/zinc/60/50/08/385605008.db2.gz IUCDGVQLXCOPBA-UWVGGRQHSA-N 0 3 234.365 0.928 20 0 BCADHN COC[C@H](NCC(=O)NCC(F)F)C1CC1 ZINC000309432417 385580399 /nfs/dbraw/zinc/58/03/99/385580399.db2.gz GNOUVALQEGWFDX-QMMMGPOBSA-N 0 3 236.262 0.382 20 0 BCADHN COC[C@H](N[C@@H]1CCO[C@H]1C)[C@H]1CCCO1 ZINC000309437479 385581168 /nfs/dbraw/zinc/58/11/68/385581168.db2.gz HQDRDXVAOVPZKO-WHOHXGKFSA-N 0 3 229.320 0.947 20 0 BCADHN C[C@@H](NCCn1cncn1)c1ccnn1C ZINC000309450589 385585414 /nfs/dbraw/zinc/58/54/14/385585414.db2.gz MLRFDJIDJVXYEC-SECBINFHSA-N 0 3 220.280 0.362 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1CCC(C)(C)O ZINC000408195017 385589707 /nfs/dbraw/zinc/58/97/07/385589707.db2.gz JZFJONKMKWKMBE-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN Cc1cn[nH]c1CN1CCN2CCOC[C@@H]2C1 ZINC000365668804 385590759 /nfs/dbraw/zinc/59/07/59/385590759.db2.gz YZXXLHQVJRQXOQ-NSHDSACASA-N 0 3 236.319 0.235 20 0 BCADHN CO[C@@H](C)CCC(=O)NC[C@](C)(O)CN(C)C ZINC000184121956 385613852 /nfs/dbraw/zinc/61/38/52/385613852.db2.gz LYOCFXWWSNRFQD-JQWIXIFHSA-N 0 3 246.351 0.230 20 0 BCADHN C[C@H]1CNCCN1C(=O)[C@H]1CNCCC1(F)F ZINC000647711453 385614232 /nfs/dbraw/zinc/61/42/32/385614232.db2.gz USFGDSBQEXNYRO-DTWKUNHWSA-N 0 3 247.289 0.052 20 0 BCADHN Cn1cc(CN[C@@]2(CCO)CCOC2)cn1 ZINC000309496500 385616143 /nfs/dbraw/zinc/61/61/43/385616143.db2.gz KILWBKOKVWXDTM-NSHDSACASA-N 0 3 225.292 0.051 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000336678826 385619102 /nfs/dbraw/zinc/61/91/02/385619102.db2.gz QPNFGXDQPXQOQK-LPEHRKFASA-N 0 3 216.325 0.493 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)Cn1cncn1 ZINC000269658072 385620026 /nfs/dbraw/zinc/62/00/26/385620026.db2.gz KEJZBEIWCUYVOM-BBBLOLIVSA-N 0 3 239.323 0.156 20 0 BCADHN CSCCCNC(=O)[C@H](N)CC(F)F ZINC000336679292 385621636 /nfs/dbraw/zinc/62/16/36/385621636.db2.gz FWCLZORLVNNYOI-ZCFIWIBFSA-N 0 3 226.292 0.838 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC([C@H](C)O)CC1 ZINC000408199901 385625033 /nfs/dbraw/zinc/62/50/33/385625033.db2.gz XTFCLALKIJMZIP-JOYOIKCWSA-N 0 3 229.320 0.419 20 0 BCADHN CC[C@H](COC)NC(=O)C(N)C(F)(F)F ZINC000309497716 385625387 /nfs/dbraw/zinc/62/53/87/385625387.db2.gz UFWTYFKWQVVCGQ-PHDIDXHHSA-N 0 3 228.214 0.417 20 0 BCADHN Cc1ccncc1CNC[C@H](O)c1cnn(C)c1 ZINC000280982193 385626279 /nfs/dbraw/zinc/62/62/79/385626279.db2.gz UMCMHBIPESCERV-ZDUSSCGKSA-N 0 3 246.314 0.947 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(C)C2)CO1 ZINC000645202096 385628929 /nfs/dbraw/zinc/62/89/29/385628929.db2.gz NHQWNLGYWMKPBB-VWYCJHECSA-N 0 3 241.335 0.557 20 0 BCADHN COCc1cccc(CN(CCO)CCO)c1 ZINC000269735656 385631548 /nfs/dbraw/zinc/63/15/48/385631548.db2.gz ZKNAHUHLZPIYHZ-UHFFFAOYSA-N 0 3 239.315 0.620 20 0 BCADHN CCONC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000365187307 385631519 /nfs/dbraw/zinc/63/15/19/385631519.db2.gz RLXNLSUPSRJBNH-UWVGGRQHSA-N 0 3 243.307 0.100 20 0 BCADHN CC(C)N(C[C@H]1COCCO1)[C@@H]1CCOC1 ZINC000451052806 385633998 /nfs/dbraw/zinc/63/39/98/385633998.db2.gz XCKRXPXFKSZRNF-NEPJUHHUSA-N 0 3 229.320 0.901 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000354688688 385635345 /nfs/dbraw/zinc/63/53/45/385635345.db2.gz VRIOPPCMHMUOES-ZYHUDNBSSA-N 0 3 240.347 0.770 20 0 BCADHN Cc1cc(C(=O)NC2CCN(C)CC2)nc(C)n1 ZINC000408198127 385610106 /nfs/dbraw/zinc/61/01/06/385610106.db2.gz LMWIAWVIYMDRPC-UHFFFAOYSA-N 0 3 248.330 0.917 20 0 BCADHN COC[C@@H](N[C@H]1CCCN(C)C1=O)C1CC1 ZINC000309484051 385610148 /nfs/dbraw/zinc/61/01/48/385610148.db2.gz USSWOKIYCNZACR-WDEREUQCSA-N 0 3 226.320 0.622 20 0 BCADHN CCOC[C@H](O)CN(C)C[C@@H](C)OC ZINC000336650282 385612530 /nfs/dbraw/zinc/61/25/30/385612530.db2.gz AOHIZYMUKBIOOT-NXEZZACHSA-N 0 3 205.298 0.351 20 0 BCADHN CO[C@@H](C)CCN[C@H](C)CS(C)(=O)=O ZINC000336650406 385612591 /nfs/dbraw/zinc/61/25/91/385612591.db2.gz INYLZPHOCJSDPW-BDAKNGLRSA-N 0 3 223.338 0.434 20 0 BCADHN Cc1nnsc1CNCC[C@@H](C)O ZINC000308329647 385637410 /nfs/dbraw/zinc/63/74/10/385637410.db2.gz JPLGFPBWSFGVJI-ZCFIWIBFSA-N 0 3 201.295 0.707 20 0 BCADHN Cc1ccc([C@@H]2C[C@H]2NC(=O)CN)cc1 ZINC000335441130 385638148 /nfs/dbraw/zinc/63/81/48/385638148.db2.gz FDQYTLDZWQMIKZ-WDEREUQCSA-N 0 3 204.273 0.926 20 0 BCADHN Cc1c[nH]cc1C(=O)NC[C@](C)(O)CN(C)C ZINC000337451491 385666207 /nfs/dbraw/zinc/66/62/07/385666207.db2.gz LAFURQOJFXRBQH-LBPRGKRZSA-N 0 3 239.319 0.366 20 0 BCADHN C[C@@H](O)CN1CCC(c2cnn(C)c2)CC1 ZINC000281140583 385638924 /nfs/dbraw/zinc/63/89/24/385638924.db2.gz AROZPPQTXADTNZ-SNVBAGLBSA-N 0 3 223.320 0.980 20 0 BCADHN COCCC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644821893 385640809 /nfs/dbraw/zinc/64/08/09/385640809.db2.gz MNNSPNIJWHNPGQ-VHSXEESVSA-N 0 3 212.293 0.185 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)nn1C ZINC000644822004 385641908 /nfs/dbraw/zinc/64/19/08/385641908.db2.gz IJFFOCSPCLUTRN-JQWIXIFHSA-N 0 3 248.330 0.505 20 0 BCADHN CCCOCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644822279 385642682 /nfs/dbraw/zinc/64/26/82/385642682.db2.gz QRYQGUYUDBWOHK-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN Cn1ccc(CC(=O)N2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000644822378 385643955 /nfs/dbraw/zinc/64/39/55/385643955.db2.gz KDHRIVSAGFGKIE-JQWIXIFHSA-N 0 3 248.330 0.125 20 0 BCADHN CO[C@H](C)CN(CC(N)=O)C(C)(C)C ZINC000182247516 385648610 /nfs/dbraw/zinc/64/86/10/385648610.db2.gz RWNGXCGSEVIKLS-MRVPVSSYSA-N 0 3 202.298 0.607 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)n(C)n1 ZINC000644823321 385648496 /nfs/dbraw/zinc/64/84/96/385648496.db2.gz NNKAKADWQNDXES-CMPLNLGQSA-N 0 3 248.330 0.505 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C[C@H]2CCCO2)C1 ZINC000644823320 385649554 /nfs/dbraw/zinc/64/95/54/385649554.db2.gz NNIIFYPWUVVCAD-TUAOUCFPSA-N 0 3 238.331 0.718 20 0 BCADHN Cc1n[nH]cc1CN1CCC(OCCO)CC1 ZINC000354032680 385650729 /nfs/dbraw/zinc/65/07/29/385650729.db2.gz CVCBYGONVFABLZ-UHFFFAOYSA-N 0 3 239.319 0.691 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644823593 385653178 /nfs/dbraw/zinc/65/31/78/385653178.db2.gz OTGSWPALSTYCBD-DBIOUOCHSA-N 0 3 208.305 0.805 20 0 BCADHN CO[C@](C)(CN1CCNC(=O)CC1)C1CC1 ZINC000647911080 385653583 /nfs/dbraw/zinc/65/35/83/385653583.db2.gz PQESBOSQZPEITL-GFCCVEGCSA-N 0 3 226.320 0.623 20 0 BCADHN CCN(CC)CC(=O)N[C@@](C)(CC)CO ZINC000337448831 385665794 /nfs/dbraw/zinc/66/57/94/385665794.db2.gz GXDIDIBPSGQKOZ-NSHDSACASA-N 0 3 216.325 0.605 20 0 BCADHN Cc1nnccc1C(=O)N(C)CCN(C)C ZINC000269993700 385656007 /nfs/dbraw/zinc/65/60/07/385656007.db2.gz ZZDPITJGKFACOA-UHFFFAOYSA-N 0 3 222.292 0.419 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)Cc2ccoc2)C1 ZINC000644818463 385656897 /nfs/dbraw/zinc/65/68/97/385656897.db2.gz NKTVQWPFZOSIQS-RYUDHWBXSA-N 0 3 234.299 0.985 20 0 BCADHN CCC[C@]1(NCC(=O)N(C)C)CCOC1 ZINC000336734177 385657519 /nfs/dbraw/zinc/65/75/19/385657519.db2.gz MXOFKCOMOHRCKC-NSHDSACASA-N 0 3 214.309 0.623 20 0 BCADHN CCN(CC)CC(=O)NCc1nnc(C)n1C ZINC000337445596 385664027 /nfs/dbraw/zinc/66/40/27/385664027.db2.gz FVVZTSKQUCEQFH-UHFFFAOYSA-N 0 3 239.323 0.082 20 0 BCADHN CC(C)COCCN(C[C@H](C)O)[C@H](C)CO ZINC000337484633 385672481 /nfs/dbraw/zinc/67/24/81/385672481.db2.gz XWQWTYUWYNCBBQ-NEPJUHHUSA-N 0 3 233.352 0.723 20 0 BCADHN CCN[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000643201883 385673176 /nfs/dbraw/zinc/67/31/76/385673176.db2.gz NUDVHBAPXPDEDR-MRVPVSSYSA-N 0 3 235.287 0.722 20 0 BCADHN CN(C)CCNC(=O)c1cnc2cnccc2c1 ZINC000281482500 385674407 /nfs/dbraw/zinc/67/44/07/385674407.db2.gz HTVFBOTYUCLEJD-UHFFFAOYSA-N 0 3 244.298 0.921 20 0 BCADHN C[C@H](Cn1cccn1)NC[C@@H](C)S(C)(=O)=O ZINC000309540959 385674658 /nfs/dbraw/zinc/67/46/58/385674658.db2.gz FWNWGTWMEZNJOS-NXEZZACHSA-N 0 3 245.348 0.294 20 0 BCADHN CCN(CCO)CCNCc1ccncc1 ZINC000184543835 385675282 /nfs/dbraw/zinc/67/52/82/385675282.db2.gz VABIDXAKHYTQLR-UHFFFAOYSA-N 0 3 223.320 0.485 20 0 BCADHN CCN(CCO)CCNCc1ccccn1 ZINC000184550346 385676547 /nfs/dbraw/zinc/67/65/47/385676547.db2.gz OPBNWYJMYMMOEY-UHFFFAOYSA-N 0 3 223.320 0.485 20 0 BCADHN C[C@H]1CSC[C@H]1NCC(=O)N(C)C ZINC000308203302 385678847 /nfs/dbraw/zinc/67/88/47/385678847.db2.gz WTZJQMOHSKBQHL-JGVFFNPUSA-N 0 3 202.323 0.416 20 0 BCADHN Cn1ccc(CNC[C@H]2CCCC(=O)N2)c1 ZINC000309549412 385681790 /nfs/dbraw/zinc/68/17/90/385681790.db2.gz FIXHIXBDMDQJIF-LLVKDONJSA-N 0 3 221.304 0.783 20 0 BCADHN CCC[C@](C)(CO)NC(=O)CN(CC)CC ZINC000337508509 385689877 /nfs/dbraw/zinc/68/98/77/385689877.db2.gz QHIPPENGTXMNOO-GFCCVEGCSA-N 0 3 230.352 0.996 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@H]1CCCC[C@@H]1O ZINC000270273733 385691163 /nfs/dbraw/zinc/69/11/63/385691163.db2.gz LODBDAWNTGPBOW-VAZREYJMSA-N 0 3 226.320 0.524 20 0 BCADHN CCC[C@@](C)(CO)NC(=O)CN(CC)CC ZINC000337508510 385691250 /nfs/dbraw/zinc/69/12/50/385691250.db2.gz QHIPPENGTXMNOO-LBPRGKRZSA-N 0 3 230.352 0.996 20 0 BCADHN Cc1ccc(NC(=O)COCC[NH3+])c([O-])c1 ZINC000645239176 385695425 /nfs/dbraw/zinc/69/54/25/385695425.db2.gz SDLJPSFCFUEFQB-UHFFFAOYSA-N 0 3 224.260 0.614 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC[C@@](C)(O)C1 ZINC000408457702 385707741 /nfs/dbraw/zinc/70/77/41/385707741.db2.gz QDIOZQOQHXRHDK-GHMZBOCLSA-N 0 3 215.293 0.173 20 0 BCADHN CN(CCCO)C[C@@H](O)COc1ccccc1 ZINC000281891190 385712074 /nfs/dbraw/zinc/71/20/74/385712074.db2.gz PZMZCOWKPMVNFK-GFCCVEGCSA-N 0 3 239.315 0.741 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H]1CCCOCC1 ZINC000309587122 385711999 /nfs/dbraw/zinc/71/19/99/385711999.db2.gz WHSDTAOHOXGNKK-UWVGGRQHSA-N 0 3 246.376 0.752 20 0 BCADHN CCN(CC)CC(=O)N1CCOC[C@H]1C ZINC000337576590 385713272 /nfs/dbraw/zinc/71/32/72/385713272.db2.gz XDBWSFNMPQAEQN-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN C[C@H](O)C(C)(C)NCc1cnc(N(C)C)nc1 ZINC000270705220 385733127 /nfs/dbraw/zinc/73/31/27/385733127.db2.gz JLIHEEOLGALZEI-VIFPVBQESA-N 0 3 238.335 0.792 20 0 BCADHN C[NH+]1CCC(CN=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000337645308 385734971 /nfs/dbraw/zinc/73/49/71/385734971.db2.gz HOGVPGOWKVEPBO-UHFFFAOYSA-N 0 3 246.318 0.480 20 0 BCADHN CC(C)N(C)CC(=O)N1Cc2c[nH]nc2C1 ZINC000647795435 385741343 /nfs/dbraw/zinc/74/13/43/385741343.db2.gz SSTPKTOSBUBRBF-UHFFFAOYSA-N 0 3 222.292 0.592 20 0 BCADHN CCC[C@H]1CCCCN1CC(=O)NC(N)=O ZINC000185865469 385742813 /nfs/dbraw/zinc/74/28/13/385742813.db2.gz TUDDYIHTBRWOON-VIFPVBQESA-N 0 3 227.308 0.836 20 0 BCADHN Cc1n[nH]cc1CNCC1([S@](C)=O)CC1 ZINC000336736572 385743387 /nfs/dbraw/zinc/74/33/87/385743387.db2.gz PHZZNYGATCEPOL-HNNXBMFYSA-N 0 3 227.333 0.719 20 0 BCADHN C[C@H](CNC(=O)c1c[nH]c(=S)[nH]1)N(C)C ZINC000282242761 385745502 /nfs/dbraw/zinc/74/55/02/385745502.db2.gz VCOKZTLQOSMDQT-ZCFIWIBFSA-N 0 3 228.321 0.378 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CSC[C@H]1C ZINC000336696712 385745895 /nfs/dbraw/zinc/74/58/95/385745895.db2.gz ULFDDOSOCUARKD-RKDXNWHRSA-N 0 3 216.350 0.806 20 0 BCADHN C[C@@H](C(=O)N[C@H]1C[C@@H](O)C1)N1[C@H](C)CC[C@H]1C ZINC000408463088 385746272 /nfs/dbraw/zinc/74/62/72/385746272.db2.gz BADZFSUCPMCSKL-ZIQFBCGOSA-N 0 3 240.347 0.887 20 0 BCADHN CN(CCNC(=O)c1c[nH]c(=S)[nH]1)C1CC1 ZINC000282259778 385746670 /nfs/dbraw/zinc/74/66/70/385746670.db2.gz WKWFSFHTKWZLGU-UHFFFAOYSA-N 0 3 240.332 0.522 20 0 BCADHN CC[C@@H](NC(=O)C12CCCN1CCC2)[C@@H](C)O ZINC000408462504 385747919 /nfs/dbraw/zinc/74/79/19/385747919.db2.gz DLVRLWPIUHVNLG-GHMZBOCLSA-N 0 3 240.347 0.890 20 0 BCADHN CC(C)(C)NC(=O)CNC(C)(C)CC(N)=O ZINC000186214986 385748876 /nfs/dbraw/zinc/74/88/76/385748876.db2.gz OBWSXDFMOQDCPW-UHFFFAOYSA-N 0 3 229.324 0.145 20 0 BCADHN CC(C)CNC(=O)CNC(C)(C)CC(N)=O ZINC000186219673 385750161 /nfs/dbraw/zinc/75/01/61/385750161.db2.gz HFNMZLXWBSUANC-UHFFFAOYSA-N 0 3 229.324 0.002 20 0 BCADHN CN(CCOCCO)Cc1ccc(CO)cc1 ZINC000282302004 385750263 /nfs/dbraw/zinc/75/02/63/385750263.db2.gz GIRNDFACODJIQS-UHFFFAOYSA-N 0 3 239.315 0.620 20 0 BCADHN CCOCC[C@H](O)CN[C@](C)(CC)C(N)=O ZINC000309630408 385757887 /nfs/dbraw/zinc/75/78/87/385757887.db2.gz HPQXXMJPXNKOTJ-GXSJLCMTSA-N 0 3 232.324 0.018 20 0 BCADHN CS[C@@H](C)CNC(=O)N(C)CCN(C)C ZINC000337723478 385759973 /nfs/dbraw/zinc/75/99/73/385759973.db2.gz KNEMTIRSHWIPRL-VIFPVBQESA-N 0 3 233.381 0.941 20 0 BCADHN CCCC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000337717451 385760426 /nfs/dbraw/zinc/76/04/26/385760426.db2.gz IAHNIKFQAHPVNJ-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN Cc1ccc2c(c1)[C@H](NC(=O)CN)CO2 ZINC000309646152 385763227 /nfs/dbraw/zinc/76/32/27/385763227.db2.gz WATNWVDFEYIFQX-SECBINFHSA-N 0 3 206.245 0.503 20 0 BCADHN CN(CCNC(=O)CO)Cc1ccccc1 ZINC000271008736 385769883 /nfs/dbraw/zinc/76/98/83/385769883.db2.gz ZPYKWQHNBXLQAV-UHFFFAOYSA-N 0 3 222.288 0.227 20 0 BCADHN Cc1n[nH]cc1CN[C@@H]1C[C@@H](O)C1(C)C ZINC000163343675 385775693 /nfs/dbraw/zinc/77/56/93/385775693.db2.gz ODLWMTPWJZVHJD-NXEZZACHSA-N 0 3 209.293 0.967 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](SC)C1 ZINC000451316709 385776481 /nfs/dbraw/zinc/77/64/81/385776481.db2.gz BEMBFZXBHZXZHX-VIFPVBQESA-N 0 3 216.350 0.902 20 0 BCADHN C[C@H](NC[C@H]1CC[C@@H](CO)O1)c1ccnn1C ZINC000293975964 385776748 /nfs/dbraw/zinc/77/67/48/385776748.db2.gz BBRXJZNALIMPKF-AXFHLTTASA-N 0 3 239.319 0.611 20 0 BCADHN CCC[C@H](O)CN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000495869795 385778967 /nfs/dbraw/zinc/77/89/67/385778967.db2.gz RITSBMTYDPPYLL-WDEREUQCSA-N 0 3 244.335 0.920 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cc(C=O)c[nH]1 ZINC000293980144 385779217 /nfs/dbraw/zinc/77/92/17/385779217.db2.gz KWEHCGOJXVSUTG-QMMMGPOBSA-N 0 3 223.276 0.507 20 0 BCADHN CC[C@H](NC(=O)Cc1nc[nH]c1C)C(C)(C)O ZINC000293979578 385779750 /nfs/dbraw/zinc/77/97/50/385779750.db2.gz MUZDXZIFYBUIEJ-JTQLQIEISA-N 0 3 239.319 0.926 20 0 BCADHN CC(C)[C@@H](CCO)NCC(=O)N(C)CC1CC1 ZINC000161856906 385780174 /nfs/dbraw/zinc/78/01/74/385780174.db2.gz KJPSDSZXCMOGFN-GFCCVEGCSA-N 0 3 242.363 0.851 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CC12CCOCC2 ZINC000365791354 385781363 /nfs/dbraw/zinc/78/13/63/385781363.db2.gz LJSCTWREGDGQFZ-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN Cc1[nH]ncc1CN1CC(=O)N(C)[C@H](C)C1 ZINC000282771670 385784853 /nfs/dbraw/zinc/78/48/53/385784853.db2.gz PPGVTVKRYDYBHZ-MRVPVSSYSA-N 0 3 222.292 0.381 20 0 BCADHN Cc1[nH]ncc1CN1CC(=O)N(C)[C@@H](C)C1 ZINC000282771687 385784874 /nfs/dbraw/zinc/78/48/74/385784874.db2.gz PPGVTVKRYDYBHZ-QMMMGPOBSA-N 0 3 222.292 0.381 20 0 BCADHN COCCCN(C)[C@@H](C)C[S@@](C)=O ZINC000185111540 385720207 /nfs/dbraw/zinc/72/02/07/385720207.db2.gz ROIUOMGPBRMESL-TVQRCGJNSA-N 0 3 207.339 0.722 20 0 BCADHN Cn1ccnc1N1CCN(CC2CC2)CC1 ZINC000270568692 385720370 /nfs/dbraw/zinc/72/03/70/385720370.db2.gz ZRTQBBGYJWBXGS-UHFFFAOYSA-N 0 3 220.320 0.952 20 0 BCADHN C[C@H](O)CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000281994665 385721597 /nfs/dbraw/zinc/72/15/97/385721597.db2.gz NCXDELPUWCHDNZ-UWVGGRQHSA-N 0 3 209.293 0.970 20 0 BCADHN C[C@@H](O)CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000281994668 385721739 /nfs/dbraw/zinc/72/17/39/385721739.db2.gz NCXDELPUWCHDNZ-ZJUUUORDSA-N 0 3 209.293 0.970 20 0 BCADHN C[C@@H](NCC1(S(C)(=O)=O)CC1)[C@H]1CCCO1 ZINC000309595394 385721871 /nfs/dbraw/zinc/72/18/71/385721871.db2.gz WCBULXXCOJWPNF-NXEZZACHSA-N 0 3 247.360 0.721 20 0 BCADHN Cn1nncc1CNCC[C@H](O)C(F)(F)F ZINC000336691453 385723730 /nfs/dbraw/zinc/72/37/30/385723730.db2.gz WWUDVFZTXCWEPT-ZETCQYMHSA-N 0 3 238.213 0.218 20 0 BCADHN C[C@@H](O)C(C)(C)NCc1cnc2cnccn12 ZINC000270639850 385724530 /nfs/dbraw/zinc/72/45/30/385724530.db2.gz HVDNFOHQZQURHO-SECBINFHSA-N 0 3 234.303 0.978 20 0 BCADHN C[C@H](O)C(C)(C)NCc1cnc2cnccn12 ZINC000270639851 385724605 /nfs/dbraw/zinc/72/46/05/385724605.db2.gz HVDNFOHQZQURHO-VIFPVBQESA-N 0 3 234.303 0.978 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)c1nncn1C ZINC000337599433 385725682 /nfs/dbraw/zinc/72/56/82/385725682.db2.gz MSNWIHWSQMZUIR-SECBINFHSA-N 0 3 239.323 0.334 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)CC(=O)OC ZINC000337600215 385726227 /nfs/dbraw/zinc/72/62/27/385726227.db2.gz IUXJQUNHTBGXLU-SECBINFHSA-N 0 3 230.308 0.396 20 0 BCADHN C[C@@H](O)CN1CC[C@@H](Oc2ccccn2)C1 ZINC000282052885 385727515 /nfs/dbraw/zinc/72/75/15/385727515.db2.gz RSENLCIDWPGBGO-GHMZBOCLSA-N 0 3 222.288 0.916 20 0 BCADHN CN(CCO)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000271866415 385856349 /nfs/dbraw/zinc/85/63/49/385856349.db2.gz BGPQYZKWWQHEAB-NEPJUHHUSA-N 0 3 207.273 0.569 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@H](C)CC(=O)OCC ZINC000602517340 385799158 /nfs/dbraw/zinc/79/91/58/385799158.db2.gz YVZOOPYXVPVMHG-VHSXEESVSA-N 0 3 244.335 0.690 20 0 BCADHN O=C1NCC[C@@H]1N[C@@H]1CCc2ccccc2OC1 ZINC000337835283 385801179 /nfs/dbraw/zinc/80/11/79/385801179.db2.gz XKHHHGOOPHZFAP-NEPJUHHUSA-N 0 3 246.310 0.858 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@@H](N)C1CCOCC1 ZINC000337836074 385806068 /nfs/dbraw/zinc/80/60/68/385806068.db2.gz UJTVWXPBHAYXOQ-QWRGUYRKSA-N 0 3 244.335 0.018 20 0 BCADHN Cn1nccc1CNC[C@@]1(C)CCOC1 ZINC000336740311 385807774 /nfs/dbraw/zinc/80/77/74/385807774.db2.gz UGGIDXZQLXBMTP-LLVKDONJSA-N 0 3 209.293 0.936 20 0 BCADHN C[C@@H](O)CN(CCc1ccnn1C)[C@H](C)CO ZINC000283092033 385808691 /nfs/dbraw/zinc/80/86/91/385808691.db2.gz LMSXYQOOWPBHSX-GHMZBOCLSA-N 0 3 241.335 0.026 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC(C)(CO)CC1 ZINC000186915426 385813894 /nfs/dbraw/zinc/81/38/94/385813894.db2.gz XIHXXRQKXBJSAH-VIFPVBQESA-N 0 3 214.309 0.345 20 0 BCADHN CO[C@H](C)CCNC[C@@H](C)S(C)(=O)=O ZINC000521426744 385814156 /nfs/dbraw/zinc/81/41/56/385814156.db2.gz NYKFPWWAFBPSLU-RKDXNWHRSA-N 0 3 223.338 0.434 20 0 BCADHN CO[C@H](C)CCNC[C@H](C)S(C)(=O)=O ZINC000521426741 385814341 /nfs/dbraw/zinc/81/43/41/385814341.db2.gz NYKFPWWAFBPSLU-BDAKNGLRSA-N 0 3 223.338 0.434 20 0 BCADHN CN(CCOCCO)C[C@@H](O)C(C)(C)C ZINC000336716640 385816992 /nfs/dbraw/zinc/81/69/92/385816992.db2.gz XKTKMSCCKJKPON-SNVBAGLBSA-N 0 3 219.325 0.334 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H](C)c1cnn(C)c1 ZINC000261591733 385823388 /nfs/dbraw/zinc/82/33/88/385823388.db2.gz VNTZMOOUAIFJBX-PSASIEDQSA-N 0 3 224.308 0.581 20 0 BCADHN c1cnn(CCN2CC[C@H]3OCC[C@H]3C2)c1 ZINC000365853897 385828046 /nfs/dbraw/zinc/82/80/46/385828046.db2.gz ZBSDPGLUQVRTIX-NWDGAFQWSA-N 0 3 221.304 0.994 20 0 BCADHN N[C@@H](C(=O)Nc1ccccn1)C1CCOCC1 ZINC000261838081 385830241 /nfs/dbraw/zinc/83/02/41/385830241.db2.gz QKHBJVNGPQWRGN-LLVKDONJSA-N 0 3 235.287 0.774 20 0 BCADHN Cc1ccccc1NC(=O)NC1(CCO)CNC1 ZINC000623066981 385830821 /nfs/dbraw/zinc/83/08/21/385830821.db2.gz VZWYKRHTUFZMNA-UHFFFAOYSA-N 0 3 249.314 0.841 20 0 BCADHN C[C@@H](N)C(=O)N(C)C1Cc2ccccc2C1 ZINC000261861521 385831836 /nfs/dbraw/zinc/83/18/36/385831836.db2.gz PRKHHMAHSQWDJY-SECBINFHSA-N 0 3 218.300 0.959 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@@H](OCc2ccccn2)C1 ZINC000261872153 385832242 /nfs/dbraw/zinc/83/22/42/385832242.db2.gz QWUXPXKVWILTKK-ZYHUDNBSSA-N 0 3 249.314 0.546 20 0 BCADHN CCO[C@@H](C)C(=O)NCC1=CCN(C)CC1 ZINC000271909915 385858211 /nfs/dbraw/zinc/85/82/11/385858211.db2.gz RLFXMYHMYCSSRO-JTQLQIEISA-N 0 3 226.320 0.790 20 0 BCADHN CCCCN(C)CCNC(=O)N(C)C ZINC000112309023 385836776 /nfs/dbraw/zinc/83/67/76/385836776.db2.gz RFZRWKVSTPNKTK-UHFFFAOYSA-N 0 3 201.314 0.990 20 0 BCADHN C[C@H](CNC(=O)c1ccnc2[nH]cnc21)N(C)C ZINC000294313433 385837111 /nfs/dbraw/zinc/83/71/11/385837111.db2.gz JOAQSJLNCANZHJ-MRVPVSSYSA-N 0 3 247.302 0.638 20 0 BCADHN CCCCN(C)CCNC(=O)c1cnn(C)c1 ZINC000112309199 385837160 /nfs/dbraw/zinc/83/71/60/385837160.db2.gz PNWLTDABRXBCJS-UHFFFAOYSA-N 0 3 238.335 0.882 20 0 BCADHN CC(=O)NCCCN[C@@H](C)c1cnn(C)c1 ZINC000121381024 385838179 /nfs/dbraw/zinc/83/81/79/385838179.db2.gz VTJSPPMDJDKHSL-VIFPVBQESA-N 0 3 224.308 0.597 20 0 BCADHN CCc1nn(C)cc1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644835896 385838646 /nfs/dbraw/zinc/83/86/46/385838646.db2.gz IRVKOGHTXGKTPG-GDNZZTSVSA-N 0 3 235.331 0.653 20 0 BCADHN CC[C@@H](O)[C@H]1CCCCN1CC(=O)NC ZINC000112681000 385841326 /nfs/dbraw/zinc/84/13/26/385841326.db2.gz RXKKPNNAUSNLDB-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CN(CC(=O)NC1CC1)CC1CCOCC1 ZINC000112696708 385843142 /nfs/dbraw/zinc/84/31/42/385843142.db2.gz AOKRHJXMEBEWRH-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CCN(C)CCNC(=O)c1cccc(F)n1 ZINC000122985557 385845463 /nfs/dbraw/zinc/84/54/63/385845463.db2.gz ICLXBRPSKBKMDY-UHFFFAOYSA-N 0 3 225.267 0.902 20 0 BCADHN COc1ccc([C@H](CN(C)C)NC(N)=O)cc1 ZINC000284017724 385845673 /nfs/dbraw/zinc/84/56/73/385845673.db2.gz NJRROUYBYGZYMW-NSHDSACASA-N 0 3 237.303 0.966 20 0 BCADHN C[C@@H](CN[C@@H](C)c1cn[nH]c1)CS(C)(=O)=O ZINC000336741053 385846940 /nfs/dbraw/zinc/84/69/40/385846940.db2.gz MVXJDUUTLSMSLF-IUCAKERBSA-N 0 3 245.348 0.741 20 0 BCADHN CC[C@H](C(=O)N(CCO)C1CC1)N(C)C ZINC000413639767 385847720 /nfs/dbraw/zinc/84/77/20/385847720.db2.gz OZRULLSSJQOUSP-SNVBAGLBSA-N 0 3 214.309 0.310 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)CCCC1CC1 ZINC000643235240 385848616 /nfs/dbraw/zinc/84/86/16/385848616.db2.gz BCRZECYTNFWZFM-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN CN1CCNC[C@@H]1CNCc1cccc(O)c1 ZINC000414957434 385851789 /nfs/dbraw/zinc/85/17/89/385851789.db2.gz BNJDLQDTPNBPRP-GFCCVEGCSA-N 0 3 235.331 0.385 20 0 BCADHN CN1CCNC[C@H]1CNCc1cccc(O)c1 ZINC000414957437 385852106 /nfs/dbraw/zinc/85/21/06/385852106.db2.gz BNJDLQDTPNBPRP-LBPRGKRZSA-N 0 3 235.331 0.385 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H](CO)CC1CCC1 ZINC000336741298 385855208 /nfs/dbraw/zinc/85/52/08/385855208.db2.gz NCJYHPBKWCKDAG-MWLCHTKSSA-N 0 3 249.376 0.560 20 0 BCADHN CN(C)CCN(C)C(=O)C=Cc1c[nH]cn1 ZINC000284272361 385859190 /nfs/dbraw/zinc/85/91/90/385859190.db2.gz DWVHKOYSTNVAJB-SNAWJCMRSA-N 0 3 222.292 0.443 20 0 BCADHN CN(C)CCNC(=O)Nc1cccc2nonc21 ZINC000284202162 385856008 /nfs/dbraw/zinc/85/60/08/385856008.db2.gz YVVNEWFWUWITDH-UHFFFAOYSA-N 0 3 249.274 0.906 20 0 BCADHN COCC[C@](C)(O)CN[C@H](C)c1cn[nH]c1 ZINC000284182795 385856013 /nfs/dbraw/zinc/85/60/13/385856013.db2.gz RCXDIZUQORRPDZ-KOLCDFICSA-N 0 3 227.308 0.848 20 0 BCADHN Cn1nccc1CNC1(CC(N)=O)CCC1 ZINC000336706033 385792485 /nfs/dbraw/zinc/79/24/85/385792485.db2.gz PUSVNGGKNUMNGF-UHFFFAOYSA-N 0 3 222.292 0.308 20 0 BCADHN COC[C@H]1CCN(C(=O)NCCN(C)C)C1 ZINC000337813570 385794594 /nfs/dbraw/zinc/79/45/94/385794594.db2.gz NMBPLQZNVSEXEI-JTQLQIEISA-N 0 3 229.324 0.226 20 0 BCADHN CC(C)[C@H]1CN(C(=O)C2(N)CCC2)CCO1 ZINC000335560252 385796930 /nfs/dbraw/zinc/79/69/30/385796930.db2.gz AUCNUUFFLQQVSP-SNVBAGLBSA-N 0 3 226.320 0.751 20 0 BCADHN CO[C@H]1CCN(Cc2cn(C)nc2C)C1 ZINC000271175037 385797348 /nfs/dbraw/zinc/79/73/48/385797348.db2.gz IZDUJICPISTACW-NSHDSACASA-N 0 3 209.293 0.949 20 0 BCADHN CC(C)OC[C@@H](O)CN(C)CC1(CO)CC1 ZINC000186805030 385797598 /nfs/dbraw/zinc/79/75/98/385797598.db2.gz SWTPGXRTAXBDAM-NSHDSACASA-N 0 3 231.336 0.477 20 0 BCADHN OCCN1CCN(c2nccc3[nH]ccc32)CC1 ZINC000647845465 385885941 /nfs/dbraw/zinc/88/59/41/385885941.db2.gz KSXZYXFHLPINES-UHFFFAOYSA-N 0 3 246.314 0.677 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000518795930 385887064 /nfs/dbraw/zinc/88/70/64/385887064.db2.gz JYURBUGJCNHZHY-QMMMGPOBSA-N 0 3 246.274 0.209 20 0 BCADHN CCNC(=O)CCC(=O)N1CCNCC1(C)C ZINC000647840920 385888988 /nfs/dbraw/zinc/88/89/88/385888988.db2.gz MNLFSEYYPIJVEJ-UHFFFAOYSA-N 0 3 241.335 0.113 20 0 BCADHN COc1ccnc(C(=O)N2CCNCC2(C)C)c1 ZINC000647841628 385889105 /nfs/dbraw/zinc/88/91/05/385889105.db2.gz LDFOLVOXGGXWKG-UHFFFAOYSA-N 0 3 249.314 0.914 20 0 BCADHN CC1(C)CNCCN1C(=O)c1coc(CN)c1 ZINC000647841229 385889789 /nfs/dbraw/zinc/88/97/89/385889789.db2.gz AEWYZUYEMCGGOP-UHFFFAOYSA-N 0 3 237.303 0.562 20 0 BCADHN CC[C@@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)O ZINC000413816257 385891802 /nfs/dbraw/zinc/89/18/02/385891802.db2.gz JBVUAWLHCBMZKU-VHSXEESVSA-N 0 3 230.352 0.992 20 0 BCADHN CC[C@H](C(=O)N(CC)[C@@H]1CCOC1)N(C)C ZINC000413821156 385893356 /nfs/dbraw/zinc/89/33/56/385893356.db2.gz IKVXJIRHRFKFIC-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@H](SC)C(=O)NCCN(C)C ZINC000123624687 385897187 /nfs/dbraw/zinc/89/71/87/385897187.db2.gz TYPXREVCEQVPLH-QMMMGPOBSA-N 0 3 204.339 0.806 20 0 BCADHN CN(CCc1cnccn1)[C@@H]1CCOC1 ZINC000285142500 385901343 /nfs/dbraw/zinc/90/13/43/385901343.db2.gz SXTAQLMOIBCVQH-LLVKDONJSA-N 0 3 207.277 0.740 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1C(F)F ZINC000338132995 385902934 /nfs/dbraw/zinc/90/29/34/385902934.db2.gz JGJAJJPFVBVMFW-HTQZYQBOSA-N 0 3 220.263 0.908 20 0 BCADHN CCONC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272730587 385929289 /nfs/dbraw/zinc/92/92/89/385929289.db2.gz ZPQFKIDXKOAQTF-VIFPVBQESA-N 0 3 227.308 0.888 20 0 BCADHN C[C@@H]1CCCN(CCN=c2nc[nH]n2C)C1 ZINC000647856529 385906762 /nfs/dbraw/zinc/90/67/62/385906762.db2.gz GHOPZKHGVXOVQC-SNVBAGLBSA-N 0 3 223.324 0.381 20 0 BCADHN CCN1CC[C@@H](NC(=O)N[C@H](C)CF)C1 ZINC000413866419 385909042 /nfs/dbraw/zinc/90/90/42/385909042.db2.gz WHSFDFICHQUBAY-RKDXNWHRSA-N 0 3 217.288 0.738 20 0 BCADHN CCCN[C@@H](C)C(=O)NCC(=O)N1CCCC1 ZINC000645292869 385912673 /nfs/dbraw/zinc/91/26/73/385912673.db2.gz GDMJSHLKJBNTER-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN C[C@@H](O)[C@H]1CCN(Cc2cnc3cnccn23)C1 ZINC000272570887 385913211 /nfs/dbraw/zinc/91/32/11/385913211.db2.gz VYEZWTDOEKJJBO-MNOVXSKESA-N 0 3 246.314 0.932 20 0 BCADHN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)CN ZINC000122368455 385915067 /nfs/dbraw/zinc/91/50/67/385915067.db2.gz XMTLCRYQGZPPJJ-DTWKUNHWSA-N 0 3 214.309 0.655 20 0 BCADHN CCC1(CO)CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000182895180 385915612 /nfs/dbraw/zinc/91/56/12/385915612.db2.gz BVJUSQUTBICQOI-NSHDSACASA-N 0 3 242.363 0.981 20 0 BCADHN COC[C@@H](CCO)NCc1c(C)nn(C)c1C ZINC000219129847 385919767 /nfs/dbraw/zinc/91/97/67/385919767.db2.gz PUQWJLRIWPQFCQ-LLVKDONJSA-N 0 3 241.335 0.524 20 0 BCADHN Cc1c(CN2CC[C@@H]([C@@H](C)O)C2)cnn1C ZINC000272637436 385919915 /nfs/dbraw/zinc/91/99/15/385919915.db2.gz WYRQGMHMYQUCHK-GHMZBOCLSA-N 0 3 223.320 0.931 20 0 BCADHN C[C@H](NC(=O)c1cnn(C)c1)C1=CCN(C)CC1 ZINC000272641011 385920241 /nfs/dbraw/zinc/92/02/41/385920241.db2.gz CPUUMKLJROEVAO-JTQLQIEISA-N 0 3 248.330 0.800 20 0 BCADHN CCc1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)[nH]n1 ZINC000272633284 385920416 /nfs/dbraw/zinc/92/04/16/385920416.db2.gz WONQRPQYOWQOEX-RKDXNWHRSA-N 0 3 236.319 0.795 20 0 BCADHN CCc1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)n[nH]1 ZINC000272633284 385920421 /nfs/dbraw/zinc/92/04/21/385920421.db2.gz WONQRPQYOWQOEX-RKDXNWHRSA-N 0 3 236.319 0.795 20 0 BCADHN Cc1c(CN2CC[C@H]([C@H](C)O)C2)cnn1C ZINC000272637443 385921425 /nfs/dbraw/zinc/92/14/25/385921425.db2.gz WYRQGMHMYQUCHK-QWRGUYRKSA-N 0 3 223.320 0.931 20 0 BCADHN CCN(CC)CC(=O)N1CC2(C1)CCOC2 ZINC000342039754 385923508 /nfs/dbraw/zinc/92/35/08/385923508.db2.gz UFAKOAKKPKNJAL-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@H](CO)C(C)C)C1 ZINC000414005352 385923779 /nfs/dbraw/zinc/92/37/79/385923779.db2.gz NCIWKIICOPCRNZ-GHMZBOCLSA-N 0 3 228.336 0.461 20 0 BCADHN COC[C@@H](CCO)N[C@@H](C)c1ccnn1C ZINC000219273625 385924215 /nfs/dbraw/zinc/92/42/15/385924215.db2.gz VTPGTDDGNQRFAF-VHSXEESVSA-N 0 3 227.308 0.468 20 0 BCADHN COC[C@H](NC[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000336767614 385924623 /nfs/dbraw/zinc/92/46/23/385924623.db2.gz PUWBGYNPQOMXCP-SRVKXCTJSA-N 0 3 229.320 0.949 20 0 BCADHN C[C@@H](O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272735997 385927148 /nfs/dbraw/zinc/92/71/48/385927148.db2.gz CGYHXPCDSWTGHY-DTWKUNHWSA-N 0 3 212.293 0.134 20 0 BCADHN CCO[C@H](C)C(=O)NCC1=CCN(C)CC1 ZINC000271909918 385859453 /nfs/dbraw/zinc/85/94/53/385859453.db2.gz RLFXMYHMYCSSRO-SNVBAGLBSA-N 0 3 226.320 0.790 20 0 BCADHN C[C@H](CC(N)=O)N[C@H](C)c1ccncc1 ZINC000121623016 385859987 /nfs/dbraw/zinc/85/99/87/385859987.db2.gz VZRXMYCNUCRWHC-RKDXNWHRSA-N 0 3 207.277 0.996 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@H]2COCCO2)n1 ZINC000112716713 385862209 /nfs/dbraw/zinc/86/22/09/385862209.db2.gz CRENVVDXTCGRGL-JTQLQIEISA-N 0 3 238.287 0.601 20 0 BCADHN CN(CCc1ccnn1C)[C@@H]1CCOC1 ZINC000284307724 385862273 /nfs/dbraw/zinc/86/22/73/385862273.db2.gz HBKLDAHDNRXGFG-LLVKDONJSA-N 0 3 209.293 0.683 20 0 BCADHN CC[C@@H](C(=O)N[C@@](C)(CCO)COC)N(C)C ZINC000413705627 385864758 /nfs/dbraw/zinc/86/47/58/385864758.db2.gz ZOXUBRSSXSKNNQ-JQWIXIFHSA-N 0 3 246.351 0.230 20 0 BCADHN Cc1nonc1C(=O)NCC1=CCN(C)CC1 ZINC000272017961 385867514 /nfs/dbraw/zinc/86/75/14/385867514.db2.gz UYUCWZICLLNBLZ-UHFFFAOYSA-N 0 3 236.275 0.370 20 0 BCADHN CN1C[C@@H]2CCN(Cc3cocn3)[C@@H]2C1 ZINC000644840330 385868575 /nfs/dbraw/zinc/86/85/75/385868575.db2.gz KHSIXQHOAABJFD-GXSJLCMTSA-N 0 3 207.277 0.811 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H](C)[C@@H]1CCCCO1 ZINC000336726028 385870290 /nfs/dbraw/zinc/87/02/90/385870290.db2.gz BLQXHDPAXUBEIJ-VWYCJHECSA-N 0 3 249.376 0.967 20 0 BCADHN NC1(C(=O)N2CCN3CCC2CC3)CCCC1 ZINC000335037815 385928249 /nfs/dbraw/zinc/92/82/49/385928249.db2.gz MMAUEEUZHOEGJS-UHFFFAOYSA-N 0 3 237.347 0.565 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)c1ncon1)N(C)C ZINC000272166953 385880902 /nfs/dbraw/zinc/88/09/02/385880902.db2.gz IQFZMYRZKVSYIT-SFYZADRCSA-N 0 3 226.280 0.587 20 0 BCADHN CC[C@H](C(=O)N1C[C@H](O)C[C@@H]1C)N(C)C ZINC000413774533 385881390 /nfs/dbraw/zinc/88/13/90/385881390.db2.gz PGGKKXQXXPIKIO-IVZWLZJFSA-N 0 3 214.309 0.308 20 0 BCADHN CN(C)C/C=C/C(=O)NC(C)(C)CCO ZINC000272193594 385882488 /nfs/dbraw/zinc/88/24/88/385882488.db2.gz NXUJFXVVSQEYIH-AATRIKPKSA-N 0 3 214.309 0.381 20 0 BCADHN Cc1nc(C)c(CNC(=O)[C@@H](C)N)s1 ZINC000083904936 385977946 /nfs/dbraw/zinc/97/79/46/385977946.db2.gz FWQZRTQQHWSNMT-RXMQYKEDSA-N 0 3 213.306 0.723 20 0 BCADHN COCC[C@H](NC[C@H](O)COC)c1ccco1 ZINC000273219335 385980580 /nfs/dbraw/zinc/98/05/80/385980580.db2.gz CWDMXEGAZUEVNC-QWRGUYRKSA-N 0 3 243.303 0.954 20 0 BCADHN CN(C)c1cc(NC(=O)C2(N)CCC2)ccn1 ZINC000295202723 385989992 /nfs/dbraw/zinc/98/99/92/385989992.db2.gz YWLWNFBAKYUSQX-UHFFFAOYSA-N 0 3 234.303 0.968 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CCN2CCC1CC2 ZINC000335038788 385930971 /nfs/dbraw/zinc/93/09/71/385930971.db2.gz SOEAEQYVCZMMKA-LLVKDONJSA-N 0 3 239.363 0.666 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CCN2 ZINC000335040536 385932780 /nfs/dbraw/zinc/93/27/80/385932780.db2.gz XQAYHLZVYOMOQT-VHSXEESVSA-N 0 3 217.272 0.940 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H](CO)[C@@H]1C ZINC000414053247 385933548 /nfs/dbraw/zinc/93/35/48/385933548.db2.gz JTHVFSOZDCVIRI-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN COC[C@@H](O)CCNCc1snnc1C ZINC000309004344 385934662 /nfs/dbraw/zinc/93/46/62/385934662.db2.gz SZILSDYHMASISJ-QMMMGPOBSA-N 0 3 231.321 0.334 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@@H](CO)[C@H]1C ZINC000414023984 385939263 /nfs/dbraw/zinc/93/92/63/385939263.db2.gz CVGOGHSZEXZODB-NEPJUHHUSA-N 0 3 242.363 0.946 20 0 BCADHN CO[C@H](CN(C)CCN1CCOCC1)C1CC1 ZINC000425395722 385944777 /nfs/dbraw/zinc/94/47/77/385944777.db2.gz OJDDMZALMWRTIT-CYBMUJFWSA-N 0 3 242.363 0.675 20 0 BCADHN C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@H]1CCCN1C ZINC000414072683 385947620 /nfs/dbraw/zinc/94/76/20/385947620.db2.gz NQVTYWBODVKZJY-IJLUTSLNSA-N 0 3 240.347 0.700 20 0 BCADHN Cc1cnn(CCN[C@H](CO)[C@@H]2CCCO2)c1 ZINC000342161550 385951291 /nfs/dbraw/zinc/95/12/91/385951291.db2.gz JANJZYRKAOSCOH-NEPJUHHUSA-N 0 3 239.319 0.321 20 0 BCADHN C[C@H](CN)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000285703486 385956999 /nfs/dbraw/zinc/95/69/99/385956999.db2.gz QNAPMANTXSCNIW-VPTHRUTESA-N 0 3 240.328 0.957 20 0 BCADHN C[C@H]1[C@H](NC(=O)NC2CC2)CCCN1C ZINC000342212215 385960121 /nfs/dbraw/zinc/96/01/21/385960121.db2.gz NGHLXODQEGEPPH-WCBMZHEXSA-N 0 3 211.309 0.931 20 0 BCADHN C[C@@H](O)CCN1CCC(NC(=O)C2CC2)CC1 ZINC000425400717 385962110 /nfs/dbraw/zinc/96/21/10/385962110.db2.gz DEUABNUAANKDNZ-SNVBAGLBSA-N 0 3 240.347 0.748 20 0 BCADHN COc1ncc(CNCCN2CCC2)s1 ZINC000638786680 385965515 /nfs/dbraw/zinc/96/55/15/385965515.db2.gz DFZJVVZIPFEXBN-UHFFFAOYSA-N 0 3 227.333 0.947 20 0 BCADHN CCCCN(CC(N)=O)C[C@@H](OC)C1CC1 ZINC000425404686 385967269 /nfs/dbraw/zinc/96/72/69/385967269.db2.gz KEHNXKYHRKEDAK-LLVKDONJSA-N 0 3 228.336 0.999 20 0 BCADHN CC(C(=O)N1CCC=C(F)C1)S(C)(=O)=O ZINC000273125246 385971036 /nfs/dbraw/zinc/97/10/36/385971036.db2.gz UCJAZBOEOYUKGB-ZETCQYMHSA-N 0 3 235.280 0.505 20 0 BCADHN CNS(=O)(=O)[C@H]1CCCN(C(C)C)C1 ZINC000365280347 385998495 /nfs/dbraw/zinc/99/84/95/385998495.db2.gz RDZHIYGZKQQVQX-VIFPVBQESA-N 0 3 220.338 0.408 20 0 BCADHN CC[C@H](C(=O)NCCC(=O)NC)N(CC)CC ZINC000345115245 385999237 /nfs/dbraw/zinc/99/92/37/385999237.db2.gz SWTHSFVOCVGVRG-SNVBAGLBSA-N 0 3 243.351 0.359 20 0 BCADHN CNC(=O)[C@@H](N[C@@H](C)Cn1cccn1)C(C)C ZINC000345193510 386055724 /nfs/dbraw/zinc/05/57/24/386055724.db2.gz VHMKVFQMCCBHDY-QWRGUYRKSA-N 0 3 238.335 0.632 20 0 BCADHN CC[C@@](C)(O)CN1CCN(C[C@@H](C)O)CC1 ZINC000189385931 386000644 /nfs/dbraw/zinc/00/06/44/386000644.db2.gz KRAWNWHJZOPALV-VXGBXAGGSA-N 0 3 230.352 0.146 20 0 BCADHN Cc1n[nH]c(C)c1CNCCC[S@](C)=O ZINC000124229356 386002237 /nfs/dbraw/zinc/00/22/37/386002237.db2.gz ISPMYHLASLQGNB-OAHLLOKOSA-N 0 3 229.349 0.885 20 0 BCADHN CN(Cc1c[nH]cn1)C[C@H]1CCCN1C ZINC000643256315 386002323 /nfs/dbraw/zinc/00/23/23/386002323.db2.gz FYDHMLUSQSLMQR-LLVKDONJSA-N 0 3 208.309 0.936 20 0 BCADHN C[S@@](=O)CCCNCc1ccncc1 ZINC000124223799 386003454 /nfs/dbraw/zinc/00/34/54/386003454.db2.gz HRGKQKDROUPWLH-AWEZNQCLSA-N 0 3 212.318 0.940 20 0 BCADHN COCCN(C)CCNCc1cc(C)no1 ZINC000309469040 386012711 /nfs/dbraw/zinc/01/27/11/386012711.db2.gz UAWMSLHJAQCLKD-UHFFFAOYSA-N 0 3 227.308 0.651 20 0 BCADHN CO[C@@H]1CCCC[C@@H]1C(=O)NCCN(C)C ZINC000338473447 386013948 /nfs/dbraw/zinc/01/39/48/386013948.db2.gz KWYSXCVODKPKIM-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN O=C1CC[C@@H](NCc2cncnc2)C2(CCC2)N1 ZINC000338476982 386014022 /nfs/dbraw/zinc/01/40/22/386014022.db2.gz HXLHYQRUBQAFDJ-LLVKDONJSA-N 0 3 246.314 0.768 20 0 BCADHN COCC[NH2+]CCNCc1nc(C)ccc1[O-] ZINC000414882500 386014250 /nfs/dbraw/zinc/01/42/50/386014250.db2.gz LJVZZVCSIFKGCH-UHFFFAOYSA-N 0 3 239.319 0.421 20 0 BCADHN NC(=O)C1(NCCc2cn[nH]n2)CCCCC1 ZINC000647968827 386014874 /nfs/dbraw/zinc/01/48/74/386014874.db2.gz ZYHCQXPAXBTZTD-UHFFFAOYSA-N 0 3 237.307 0.125 20 0 BCADHN COC[C@H](O)CNCc1ccccc1N(C)C ZINC000338476904 386015136 /nfs/dbraw/zinc/01/51/36/386015136.db2.gz KGVVTJKNUCBPCV-GFCCVEGCSA-N 0 3 238.331 0.850 20 0 BCADHN COCC[C@]1(NCc2c[nH]cn2)CCOC1 ZINC000336770483 386017661 /nfs/dbraw/zinc/01/76/61/386017661.db2.gz SYFPCKXATXYTPJ-NSHDSACASA-N 0 3 225.292 0.695 20 0 BCADHN COCC[C@]1(NCc2cnc[nH]2)CCOC1 ZINC000336770483 386017665 /nfs/dbraw/zinc/01/76/65/386017665.db2.gz SYFPCKXATXYTPJ-NSHDSACASA-N 0 3 225.292 0.695 20 0 BCADHN CC[C@H](C)[C@H](O)CN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000286316696 386023294 /nfs/dbraw/zinc/02/32/94/386023294.db2.gz XLBMPAQBEDRFMJ-ATZCPNFKSA-N 0 3 239.319 0.828 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1CCO[C@H]1C ZINC000414185683 386024909 /nfs/dbraw/zinc/02/49/09/386024909.db2.gz OPXSBIZRXWZXSF-QCLAVDOMSA-N 0 3 201.266 0.167 20 0 BCADHN COCCNC(=O)C1(N[C@H](C)[C@@H]2C[C@@H]2C)CC1 ZINC000414184114 386025726 /nfs/dbraw/zinc/02/57/26/386025726.db2.gz NNFPHQCLSKJLFZ-HBNTYKKESA-N 0 3 240.347 0.916 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N(C)C1CC(O)C1 ZINC000334421050 386026141 /nfs/dbraw/zinc/02/61/41/386026141.db2.gz QXFMHRPWBZDIBE-HTAVTVPLSA-N 0 3 240.347 0.843 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@H]1CN(C2CC2)C[C@H]1C ZINC000414186782 386027933 /nfs/dbraw/zinc/02/79/33/386027933.db2.gz PTPALPUDQUDDHO-LPTSXCQYSA-N 0 3 240.347 0.473 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)[C@H]1CCCOC1 ZINC000335062024 386030102 /nfs/dbraw/zinc/03/01/02/386030102.db2.gz IIXBSVLQHUZAJB-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)N1CCCN(C)CC1 ZINC000334423227 386030601 /nfs/dbraw/zinc/03/06/01/386030601.db2.gz VHQGIKRYMGUOEO-MNOVXSKESA-N 0 3 225.336 0.990 20 0 BCADHN C[C@@H]1[C@H](NCC2(O)CCCC2)CCS1(=O)=O ZINC000309820803 386031350 /nfs/dbraw/zinc/03/13/50/386031350.db2.gz FGTJXEIGDRNDHF-NXEZZACHSA-N 0 3 247.360 0.457 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000356132116 386032986 /nfs/dbraw/zinc/03/29/86/386032986.db2.gz NVSXEYCLZCKILP-HOSYDEDBSA-N 0 3 238.331 0.764 20 0 BCADHN CO[C@H](CN[C@@H](CO)c1cnn(C)c1)C1CC1 ZINC000425430377 386034342 /nfs/dbraw/zinc/03/43/42/386034342.db2.gz FEBTVJJTYIFKPY-NWDGAFQWSA-N 0 3 239.319 0.468 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCn1cnnc1C ZINC000390897494 386036839 /nfs/dbraw/zinc/03/68/39/386036839.db2.gz QSEICPIZHWBOLI-NSHDSACASA-N 0 3 239.323 0.220 20 0 BCADHN CN(C)CCNC(=O)CCc1c[nH]cn1 ZINC000074726805 386037413 /nfs/dbraw/zinc/03/74/13/386037413.db2.gz MDRXOWALKIUWIQ-UHFFFAOYSA-N 0 3 210.281 0.020 20 0 BCADHN C[C@H](O)C(=O)N(CCN(C)C)C1CCCC1 ZINC000345201758 386057416 /nfs/dbraw/zinc/05/74/16/386057416.db2.gz HBESTMRESSFVCQ-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@@H](C)NC1(C(=O)NCCOC)CC1 ZINC000414205047 386043312 /nfs/dbraw/zinc/04/33/12/386043312.db2.gz IHBWLLBGUGRWCP-SECBINFHSA-N 0 3 214.309 0.670 20 0 BCADHN C[C@@H]1CN([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC000425422809 386043685 /nfs/dbraw/zinc/04/36/85/386043685.db2.gz PTYVSJSYZTXSTQ-VWYCJHECSA-N 0 3 240.347 0.698 20 0 BCADHN COC(=O)[C@@]1(C)CCN([C@H]2CCOC2)C1 ZINC000335079368 386051344 /nfs/dbraw/zinc/05/13/44/386051344.db2.gz TUEWUUUBOKOWLX-ONGXEEELSA-N 0 3 213.277 0.660 20 0 BCADHN CO[C@@H](CN1CCN(CCO)[C@@H](C)C1)C1CC1 ZINC000425433526 386052626 /nfs/dbraw/zinc/05/26/26/386052626.db2.gz NLBRLOVYENFYON-AAEUAGOBSA-N 0 3 242.363 0.410 20 0 BCADHN CCNC(=O)CCN1CC[C@H](OCCOC)C1 ZINC000189665039 386055073 /nfs/dbraw/zinc/05/50/73/386055073.db2.gz PSIMKXBRUDVHCA-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CO[C@H](C)CCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000417455834 385996596 /nfs/dbraw/zinc/99/65/96/385996596.db2.gz GEIWUHDWHAZCLV-HBNTYKKESA-N 0 3 243.351 0.803 20 0 BCADHN CSC[C@@H](C)NC(=O)C(N)C(F)(F)F ZINC000336773501 386102685 /nfs/dbraw/zinc/10/26/85/386102685.db2.gz YTXUIAGLYMDDDE-UHNVWZDZSA-N 0 3 230.255 0.744 20 0 BCADHN C[C@@H]1CN(C(=O)Nc2cnns2)[C@H](C)CN1 ZINC000415549580 386103331 /nfs/dbraw/zinc/10/33/31/386103331.db2.gz TUCONZOCKHOMEW-RNFRBKRXSA-N 0 3 241.320 0.752 20 0 BCADHN C[C@H](CO)N(C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000338694242 386109036 /nfs/dbraw/zinc/10/90/36/386109036.db2.gz UQSUMWITDBOPBC-GMTAPVOTSA-N 0 3 228.336 0.698 20 0 BCADHN CSCC[C@H](N)C(=O)Nc1nc(C)ns1 ZINC000157369759 386112245 /nfs/dbraw/zinc/11/22/45/386112245.db2.gz WAGYKGAAZCGVHT-LURJTMIESA-N 0 3 246.361 0.865 20 0 BCADHN COC[C@@H](CO)N[C@@H]1CCCc2c1cnn2C ZINC000234895105 386113493 /nfs/dbraw/zinc/11/34/93/386113493.db2.gz GAVQLAMMCQWFNO-MWLCHTKSSA-N 0 3 239.319 0.394 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Cc1ccnn1C ZINC000287353714 386115096 /nfs/dbraw/zinc/11/50/96/386115096.db2.gz ZUDUTOIRCQONDO-VIFPVBQESA-N 0 3 224.308 0.029 20 0 BCADHN COC[C@H](CCO)N[C@H](C)c1cn(C)nc1C ZINC000223956500 386115696 /nfs/dbraw/zinc/11/56/96/386115696.db2.gz LSIPCDPJSLJVKD-KOLCDFICSA-N 0 3 241.335 0.777 20 0 BCADHN Cc1cc(C(=O)NC(C)(C)CN(C)C)n(C)n1 ZINC000338732124 386116468 /nfs/dbraw/zinc/11/64/68/386116468.db2.gz VDAOWPQJZZNFQG-UHFFFAOYSA-N 0 3 238.335 0.799 20 0 BCADHN Cc1cc(C)cc(NC(=O)C(=O)N[C@H](C)CN)c1 ZINC000415604236 386116601 /nfs/dbraw/zinc/11/66/01/386116601.db2.gz VIUDBNLHWATHPE-SNVBAGLBSA-N 0 3 249.314 0.705 20 0 BCADHN NC(C(=O)NC[C@H]1CCC[C@H]1O)C(F)(F)F ZINC000353181559 386117538 /nfs/dbraw/zinc/11/75/38/386117538.db2.gz MVJYPLDLEIMXKO-FSDSQADBSA-N 0 3 240.225 0.153 20 0 BCADHN C[C@H](NCCN1CC=CCC1)c1ccc(=O)[nH]n1 ZINC000287359883 386117785 /nfs/dbraw/zinc/11/77/85/386117785.db2.gz HFOHPMSSDKGHMM-NSHDSACASA-N 0 3 248.330 0.682 20 0 BCADHN Cn1cc(CN[C@H]2CCC(=O)NC2(C)C)cn1 ZINC000334462284 386118530 /nfs/dbraw/zinc/11/85/30/386118530.db2.gz XNDOYYGORYICDJ-JTQLQIEISA-N 0 3 236.319 0.567 20 0 BCADHN O=C([C@H]1CCN(Cc2cnc[nH]2)C1)N1CCCC1 ZINC000287392932 386118859 /nfs/dbraw/zinc/11/88/59/386118859.db2.gz NOACHPVBSYBKRO-NSHDSACASA-N 0 3 248.330 0.854 20 0 BCADHN COc1ccc(CCN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000234952451 386120303 /nfs/dbraw/zinc/12/03/03/386120303.db2.gz DJEVAPLZYOBXHH-STQMWFEESA-N 0 3 237.299 0.275 20 0 BCADHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)NC2)n1 ZINC000112839984 386120471 /nfs/dbraw/zinc/12/04/71/386120471.db2.gz PBPQNFTWIVNBNR-SECBINFHSA-N 0 3 235.287 0.464 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cc[n+]([O-])cc1 ZINC000274572027 386120763 /nfs/dbraw/zinc/12/07/63/386120763.db2.gz MMXLXARCXXRNEY-UHFFFAOYSA-N 0 3 249.314 0.486 20 0 BCADHN CC[C@H](C(=O)N1CC(N(C)C)C1)N(CC)CC ZINC000345202506 386058261 /nfs/dbraw/zinc/05/82/61/386058261.db2.gz ARDXMUWOQILOIT-GFCCVEGCSA-N 0 3 241.379 0.879 20 0 BCADHN CC[C@@H](C(=O)N1CC(N(C)C)C1)N(CC)CC ZINC000345202507 386058626 /nfs/dbraw/zinc/05/86/26/386058626.db2.gz ARDXMUWOQILOIT-LBPRGKRZSA-N 0 3 241.379 0.879 20 0 BCADHN CO[C@H](CN)C(=O)N1CCc2cccc(F)c21 ZINC000335012820 386060080 /nfs/dbraw/zinc/06/00/80/386060080.db2.gz IXJWMHQSVGYJIJ-SNVBAGLBSA-N 0 3 238.262 0.689 20 0 BCADHN CCOCCN1CC[C@@H](OCCOC)C1 ZINC000189668858 386060190 /nfs/dbraw/zinc/06/01/90/386060190.db2.gz KHLZJSLDOGREIQ-LLVKDONJSA-N 0 3 217.309 0.760 20 0 BCADHN Cc1[nH]ncc1CN1CC[S@@](=O)[C@H](C)C1 ZINC000334436056 386060667 /nfs/dbraw/zinc/06/06/67/386060667.db2.gz PMPUOLVTTUEZNB-ANRSDYALSA-N 0 3 227.333 0.671 20 0 BCADHN CN(CCC(N)=O)C[C@H](O)c1ccccc1F ZINC000286630578 386061970 /nfs/dbraw/zinc/06/19/70/386061970.db2.gz YGRJPBJELOTYFU-NSHDSACASA-N 0 3 240.278 0.666 20 0 BCADHN CO[C@@H](CN1CCN(C[C@@H](C)O)CC1)C1CC1 ZINC000425437801 386063420 /nfs/dbraw/zinc/06/34/20/386063420.db2.gz BSMIZSBCVLIILP-YPMHNXCESA-N 0 3 242.363 0.410 20 0 BCADHN CO[C@H](CN1CCN(C[C@@H](C)O)CC1)C1CC1 ZINC000425437800 386064147 /nfs/dbraw/zinc/06/41/47/386064147.db2.gz BSMIZSBCVLIILP-DGCLKSJQSA-N 0 3 242.363 0.410 20 0 BCADHN COC(=O)[C@H](C)CC(=O)N1CCCN(C)CC1 ZINC000366146351 386121994 /nfs/dbraw/zinc/12/19/94/386121994.db2.gz VMLPZAKRIVOELG-SNVBAGLBSA-N 0 3 242.319 0.350 20 0 BCADHN CO[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000355324925 386065299 /nfs/dbraw/zinc/06/52/99/386065299.db2.gz SAYYPXRWQVFJSF-IVZWLZJFSA-N 0 3 231.340 0.659 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)N[C@H](C)CN(C)C ZINC000355324929 386065314 /nfs/dbraw/zinc/06/53/14/386065314.db2.gz SAYYPXRWQVFJSF-KXUCPTDWSA-N 0 3 231.340 0.659 20 0 BCADHN COCCNC(=O)C1(N[C@H](C)C2CC2)CC1 ZINC000414213476 386068275 /nfs/dbraw/zinc/06/82/75/386068275.db2.gz RGYSQDYYWFEACF-SECBINFHSA-N 0 3 226.320 0.670 20 0 BCADHN CO[C@H](CN1CCN2CCOC[C@H]2C1)C1CC1 ZINC000425431067 386070265 /nfs/dbraw/zinc/07/02/65/386070265.db2.gz HBRKRAXKARHOHE-CHWSQXEVSA-N 0 3 240.347 0.428 20 0 BCADHN C[C@H](CO)N(C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000338595741 386070621 /nfs/dbraw/zinc/07/06/21/386070621.db2.gz FGFVKDOVMMTDKT-UTUOFQBUSA-N 0 3 228.336 0.162 20 0 BCADHN CC[C@](C)(NCCOCC(F)F)C(N)=O ZINC000189705322 386071891 /nfs/dbraw/zinc/07/18/91/386071891.db2.gz XDQVUXHVVJPKBM-VIFPVBQESA-N 0 3 224.251 0.512 20 0 BCADHN CS(=O)(=O)N1CC(CNCc2ccco2)C1 ZINC000189708696 386072930 /nfs/dbraw/zinc/07/29/30/386072930.db2.gz QHXQUFLYBVICAV-UHFFFAOYSA-N 0 3 244.316 0.261 20 0 BCADHN CC[C@@](C)(NCCOCC(F)F)C(N)=O ZINC000189705342 386073284 /nfs/dbraw/zinc/07/32/84/386073284.db2.gz XDQVUXHVVJPKBM-SECBINFHSA-N 0 3 224.251 0.512 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N1CC(=O)NC(=O)NC ZINC000334445084 386076267 /nfs/dbraw/zinc/07/62/67/386076267.db2.gz FVUCXDWHFHMXRL-RKDXNWHRSA-N 0 3 227.308 0.705 20 0 BCADHN CN1CCC(C(=O)N2CCCn3nccc32)CC1 ZINC000345247390 386077111 /nfs/dbraw/zinc/07/71/11/386077111.db2.gz JCDQAKSXKQEMEY-UHFFFAOYSA-N 0 3 248.330 0.962 20 0 BCADHN CN(C)[C@H]1CCCN(CC(=O)NC2CC2)C1 ZINC000068554695 386077793 /nfs/dbraw/zinc/07/77/93/386077793.db2.gz YKSJPDWQNNRDIE-NSHDSACASA-N 0 3 225.336 0.291 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)N[C@@H]1CCOC1 ZINC000345247460 386078253 /nfs/dbraw/zinc/07/82/53/386078253.db2.gz JJCDPRNWXUPLND-SNVBAGLBSA-N 0 3 241.335 0.511 20 0 BCADHN Cc1cc(CC(=O)N[C@@H](C)CN(C)C)no1 ZINC000286893671 386080754 /nfs/dbraw/zinc/08/07/54/386080754.db2.gz GKEIXQKEMXYSTN-QMMMGPOBSA-N 0 3 225.292 0.592 20 0 BCADHN CC[C@H](C)CC(=O)NC[C@](C)(O)CN(C)C ZINC000189721373 386081644 /nfs/dbraw/zinc/08/16/44/386081644.db2.gz ZIKVAGUYKOVBPJ-JQWIXIFHSA-N 0 3 230.352 0.851 20 0 BCADHN COc1ncccc1C(=O)N[C@@H](C)CN(C)C ZINC000286925781 386082921 /nfs/dbraw/zinc/08/29/21/386082921.db2.gz ITTNCILYFSIGMI-VIFPVBQESA-N 0 3 237.303 0.770 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C(=O)c1ccccc1 ZINC000286925694 386083880 /nfs/dbraw/zinc/08/38/80/386083880.db2.gz ISNJSUYLVZINMN-JTQLQIEISA-N 0 3 234.299 0.936 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cncnc1 ZINC000286923662 386083891 /nfs/dbraw/zinc/08/38/91/386083891.db2.gz IOIBSYUMURIOCD-QMMMGPOBSA-N 0 3 208.265 0.157 20 0 BCADHN CCC[C@H](C(=O)NCC(C)(C)O)N(C)C ZINC000162364210 386085633 /nfs/dbraw/zinc/08/56/33/386085633.db2.gz HMVLHDYKDHSUSW-SECBINFHSA-N 0 3 216.325 0.604 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@H](C)[C@H]1CO ZINC000189736322 386086173 /nfs/dbraw/zinc/08/61/73/386086173.db2.gz PWZXZKKQRFKBEK-NXEZZACHSA-N 0 3 214.309 0.214 20 0 BCADHN NC(C(=O)NC[C@H]1CCCCO1)C(F)(F)F ZINC000353180212 386086252 /nfs/dbraw/zinc/08/62/52/386086252.db2.gz LKZBJCMCXXLIPN-RQJHMYQMSA-N 0 3 240.225 0.561 20 0 BCADHN C[C@@H](CC(N)=O)NC/C=C/c1ccncc1 ZINC000336738512 386088922 /nfs/dbraw/zinc/08/89/22/386088922.db2.gz KGZAGVDTDGWJSR-PBKGFPTLSA-N 0 3 219.288 0.948 20 0 BCADHN CCNC(=O)CC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345282591 386089215 /nfs/dbraw/zinc/08/92/15/386089215.db2.gz GBAHATZLIWBZGP-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN C[C@H](CNC(=O)Cc1ccnn1C)N(C)C ZINC000345838462 386122890 /nfs/dbraw/zinc/12/28/90/386122890.db2.gz DYPHAXRQNXDQOG-SECBINFHSA-N 0 3 224.308 0.029 20 0 BCADHN Cc1nccn1CCN1CCN(C)C[C@H]1C ZINC000334451041 386090214 /nfs/dbraw/zinc/09/02/14/386090214.db2.gz UOFFRXHVJHRLKX-LLVKDONJSA-N 0 3 222.336 0.827 20 0 BCADHN COC(=O)CCCN1CC[C@]2(CNC(=O)C2)C1 ZINC000366118870 386093233 /nfs/dbraw/zinc/09/32/33/386093233.db2.gz AUSIRMCXNMVHOH-LBPRGKRZSA-N 0 3 240.303 0.152 20 0 BCADHN C[C@@H](Cn1cccn1)NC[C@H](O)c1cccnc1 ZINC000274389629 386095754 /nfs/dbraw/zinc/09/57/54/386095754.db2.gz CSSGSBUUAXTEBG-AAEUAGOBSA-N 0 3 246.314 0.990 20 0 BCADHN CN(C(=O)CNC1CC1)[C@H]1CN2CCC1CC2 ZINC000310093914 386095973 /nfs/dbraw/zinc/09/59/73/386095973.db2.gz KOQSBVJDSRJAQW-LBPRGKRZSA-N 0 3 237.347 0.291 20 0 BCADHN C[C@H](NC(=O)[C@H]1CCOC1)C1=CCN(C)CC1 ZINC000334457717 386097704 /nfs/dbraw/zinc/09/77/04/386097704.db2.gz IYLSMLBCCNMWGA-JQWIXIFHSA-N 0 3 238.331 0.790 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](O)COC)N(CC)CC ZINC000338679151 386098520 /nfs/dbraw/zinc/09/85/20/386098520.db2.gz AIOSNRRCJMQKPY-MNOVXSKESA-N 0 3 246.351 0.230 20 0 BCADHN CN(C)CC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000334459206 386099972 /nfs/dbraw/zinc/09/99/72/386099972.db2.gz LJMTVMKRAGBXBZ-ZDUSSCGKSA-N 0 3 239.363 0.492 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCC(=O)OC(C)C ZINC000353499583 386100105 /nfs/dbraw/zinc/10/01/05/386100105.db2.gz FUAKUSHBKJQOTF-MWLCHTKSSA-N 0 3 244.335 0.818 20 0 BCADHN C[C@@H](CCN(C)C)NC(=O)C(=O)c1ccc[nH]1 ZINC000296185429 386148437 /nfs/dbraw/zinc/14/84/37/386148437.db2.gz MGTVBDLYLSWXBY-VIFPVBQESA-N 0 3 237.303 0.654 20 0 BCADHN CN(C)CCNC(=O)CCc1cnn(C)c1 ZINC000054853291 386153995 /nfs/dbraw/zinc/15/39/95/386153995.db2.gz ZXNGVFCCIIRVBF-UHFFFAOYSA-N 0 3 224.308 0.031 20 0 BCADHN C[C@H](N[C@H]1CCCN(C)C1=O)[C@H]1CCCO1 ZINC000336729878 386155182 /nfs/dbraw/zinc/15/51/82/386155182.db2.gz DKBRXXPARKKUSY-GARJFASQSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@H](CC)N(C)C ZINC000338960680 386190097 /nfs/dbraw/zinc/19/00/97/386190097.db2.gz GZFBTQYNKMAJJM-MNOVXSKESA-N 0 3 230.352 0.994 20 0 BCADHN Cc1nn(C)cc1CNC(=O)/C=C/CN(C)C ZINC000274846717 386156557 /nfs/dbraw/zinc/15/65/57/386156557.db2.gz QPCULUKMWOJOBK-AATRIKPKSA-N 0 3 236.319 0.463 20 0 BCADHN CSC[C@H](O)CN[C@@H](C(N)=O)C(C)(C)C ZINC000188056383 386156800 /nfs/dbraw/zinc/15/68/00/386156800.db2.gz DEGPGDFAQJWYOH-SFYZADRCSA-N 0 3 234.365 0.200 20 0 BCADHN COCC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000334476300 386157441 /nfs/dbraw/zinc/15/74/41/386157441.db2.gz OQHPLCXDFVKYFU-GFCCVEGCSA-N 0 3 226.320 0.577 20 0 BCADHN CC[C@H](OC)C(=O)N[C@H](C)CN(C)C ZINC000346126132 386158191 /nfs/dbraw/zinc/15/81/91/386158191.db2.gz BCEQJQTZDSMELX-BDAKNGLRSA-N 0 3 202.298 0.478 20 0 BCADHN CCONC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000366164139 386158510 /nfs/dbraw/zinc/15/85/10/386158510.db2.gz WDAZJEXNTYAUGM-NSHDSACASA-N 0 3 227.308 0.675 20 0 BCADHN CCSCCN1CCc2n[nH]c(=O)cc2C1 ZINC000274879835 386159404 /nfs/dbraw/zinc/15/94/04/386159404.db2.gz NALWPFXTTSAORR-UHFFFAOYSA-N 0 3 239.344 0.881 20 0 BCADHN CO[C@@H](C)CCNC(=O)NC[C@@H]1CCCN1C ZINC000338845308 386159843 /nfs/dbraw/zinc/15/98/43/386159843.db2.gz SJWLUNPRTIUTFG-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN CCN(CC)CC(=O)NCC1=CCCOC1 ZINC000288030384 386160986 /nfs/dbraw/zinc/16/09/86/386160986.db2.gz KTTWFEULSFQJTH-UHFFFAOYSA-N 0 3 226.320 0.791 20 0 BCADHN Cc1ccc(CC(=O)N[C@H](C)CN(C)C)cn1 ZINC000346177850 386161066 /nfs/dbraw/zinc/16/10/66/386161066.db2.gz GNHSGEYNGPSDJW-LLVKDONJSA-N 0 3 235.331 0.999 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCCCO1 ZINC000346178524 386161406 /nfs/dbraw/zinc/16/14/06/386161406.db2.gz LJZHJVNCMYPZOE-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN Cn1nncc1CNCC1(C(F)F)CC1 ZINC000336722544 386162315 /nfs/dbraw/zinc/16/23/15/386162315.db2.gz FHIDITUFXQOOOL-UHFFFAOYSA-N 0 3 216.235 0.950 20 0 BCADHN C[C@@H](CCCO)NC(=O)C12CCCN1CCC2 ZINC000366177612 386162787 /nfs/dbraw/zinc/16/27/87/386162787.db2.gz DACVYYJYKFYCSU-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN C[C@H](O)C(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000346132015 386163073 /nfs/dbraw/zinc/16/30/73/386163073.db2.gz OBDUUHSBLJGMKH-VWYCJHECSA-N 0 3 226.320 0.452 20 0 BCADHN Cc1c[nH]cc(C(=O)N[C@H](C)CN(C)C)c1=O ZINC000346183501 386164076 /nfs/dbraw/zinc/16/40/76/386164076.db2.gz CYXFCICNJIOMSU-SECBINFHSA-N 0 3 237.303 0.363 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)COCC1CC1 ZINC000346141723 386164885 /nfs/dbraw/zinc/16/48/85/386164885.db2.gz RDOJSJQFTGZFAD-VIFPVBQESA-N 0 3 214.309 0.479 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CCC[C@H](O)C1 ZINC000346143985 386165382 /nfs/dbraw/zinc/16/53/82/386165382.db2.gz UADODYZVXPESSE-MXWKQRLJSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](O)CCN1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000425487583 386166004 /nfs/dbraw/zinc/16/60/04/386166004.db2.gz VQHULIPRRDXICJ-SRVKXCTJSA-N 0 3 229.320 0.637 20 0 BCADHN CO[C@@H](C(=O)N[C@@H](C)CN(C)C)C(C)C ZINC000346135898 386166568 /nfs/dbraw/zinc/16/65/68/386166568.db2.gz KYEZVKVCEMYSEF-VHSXEESVSA-N 0 3 216.325 0.724 20 0 BCADHN C[C@@H]1OCC[C@@H]1NCC(=O)NCc1ccco1 ZINC000346155587 386168293 /nfs/dbraw/zinc/16/82/93/386168293.db2.gz GOFBEWJHXYEDSZ-ONGXEEELSA-N 0 3 238.287 0.663 20 0 BCADHN CSCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000334479795 386168914 /nfs/dbraw/zinc/16/89/14/386168914.db2.gz TZNOUVQCGBKAOJ-VIFPVBQESA-N 0 3 216.350 0.902 20 0 BCADHN CCC[C@@](C)(O)C(=O)N[C@@H](C)CN(C)C ZINC000346156359 386169027 /nfs/dbraw/zinc/16/90/27/386169027.db2.gz JWCMVHALGMLZLU-GXSJLCMTSA-N 0 3 216.325 0.604 20 0 BCADHN Cc1nccn1CCN1CC[C@H](O)[C@H](C)C1 ZINC000164631924 386169114 /nfs/dbraw/zinc/16/91/14/386169114.db2.gz GZYFVPINCCNVSB-PWSUYJOCSA-N 0 3 223.320 0.894 20 0 BCADHN CCN(CCNC(=O)c1cnc(C)cn1)C1CC1 ZINC000263737713 386172868 /nfs/dbraw/zinc/17/28/68/386172868.db2.gz OANLCBYICYWNNG-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN CCN(CCNC(=O)c1cnccn1)C1CC1 ZINC000263750207 386172900 /nfs/dbraw/zinc/17/29/00/386172900.db2.gz PUIVIVPWGFIQHD-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1[C@@H](C)C1(F)F ZINC000346219166 386173675 /nfs/dbraw/zinc/17/36/75/386173675.db2.gz KFYLEWPPBCVPCN-PRJMDXOYSA-N 0 3 220.263 0.954 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)CCCCO ZINC000452501246 386173924 /nfs/dbraw/zinc/17/39/24/386173924.db2.gz 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ZINC000346216066 386186735 /nfs/dbraw/zinc/18/67/35/386186735.db2.gz GLYQQSTYVYMSEK-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCN1CCC1 ZINC000336773657 386126515 /nfs/dbraw/zinc/12/65/15/386126515.db2.gz YXZTZDXOXSOYEQ-SNVBAGLBSA-N 0 3 234.365 0.105 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCOC[C@H]1C)N(C)C ZINC000345849287 386127020 /nfs/dbraw/zinc/12/70/20/386127020.db2.gz QEXGJZOGQFTXDS-GMTAPVOTSA-N 0 3 228.336 0.725 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCOC[C@H]1C)N(C)C ZINC000345849289 386127184 /nfs/dbraw/zinc/12/71/84/386127184.db2.gz QEXGJZOGQFTXDS-MXWKQRLJSA-N 0 3 228.336 0.725 20 0 BCADHN COCCCCN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000366915344 386128879 /nfs/dbraw/zinc/12/88/79/386128879.db2.gz SXVKSRZDBZDWKE-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CCN[C@H](C)C(=O)N1C[C@@H](C)O[C@H](COC)C1 ZINC000638294344 386135134 /nfs/dbraw/zinc/13/51/34/386135134.db2.gz OXUPFOWVEFHJSY-MXWKQRLJSA-N 0 3 244.335 0.247 20 0 BCADHN C[C@@H](C[NH+](C)C)NC(=O)c1ccc(O)cc1[O-] ZINC000235103721 386135334 /nfs/dbraw/zinc/13/53/34/386135334.db2.gz RNHUOUYXZUMNMG-QMMMGPOBSA-N 0 3 238.287 0.778 20 0 BCADHN CCN[C@H](C)C(=O)N1C[C@@H](C)O[C@@H](COC)C1 ZINC000638294342 386135303 /nfs/dbraw/zinc/13/53/03/386135303.db2.gz OXUPFOWVEFHJSY-GMTAPVOTSA-N 0 3 244.335 0.247 20 0 BCADHN CN(C)CCNC(=O)NCC[C@H]1CCOC1 ZINC000345869404 386136746 /nfs/dbraw/zinc/13/67/46/386136746.db2.gz XTRXQYUDFSCRFL-JTQLQIEISA-N 0 3 229.324 0.274 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000335360273 386203834 /nfs/dbraw/zinc/20/38/34/386203834.db2.gz BYIAXCXIFQMCBX-MFKMUULPSA-N 0 3 238.331 0.766 20 0 BCADHN O=C1CCN(CN[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000365610850 386209495 /nfs/dbraw/zinc/20/94/95/386209495.db2.gz GCPYLRJPHYPQSB-JTQLQIEISA-N 0 3 248.330 0.479 20 0 BCADHN O=C1CCN(CN[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000365610850 386209502 /nfs/dbraw/zinc/20/95/02/386209502.db2.gz GCPYLRJPHYPQSB-JTQLQIEISA-N 0 3 248.330 0.479 20 0 BCADHN COC[C@H]1CCCN(Cc2c[nH]nn2)C1 ZINC000340284198 386210721 /nfs/dbraw/zinc/21/07/21/386210721.db2.gz GFFWMDCYZGUGKN-VIFPVBQESA-N 0 3 210.281 0.663 20 0 BCADHN CCOC(=O)CNC(=O)CC1CCN(C)CC1 ZINC000347024737 386218027 /nfs/dbraw/zinc/21/80/27/386218027.db2.gz MXTLNTVWCGIVGT-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN CC1(C)CN(CCn2ccnc2)CC[C@@H]1O ZINC000275522399 386218567 /nfs/dbraw/zinc/21/85/67/386218567.db2.gz VPQCWOGCSLXGFN-NSHDSACASA-N 0 3 223.320 0.976 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N1CCCN(C)CC1 ZINC000347036571 386226383 /nfs/dbraw/zinc/22/63/83/386226383.db2.gz QYRQZNXALWHIEO-NWDGAFQWSA-N 0 3 241.379 0.927 20 0 BCADHN CC[C@H](O)CN1CC[C@H](N2CCCC2=O)C1 ZINC000339055939 386226710 /nfs/dbraw/zinc/22/67/10/386226710.db2.gz HNDUPTVZDOQZHP-QWRGUYRKSA-N 0 3 226.320 0.454 20 0 BCADHN Cc1n[nH]c(C(=O)NC2CN(C(C)C)C2)c1C ZINC000297154629 386228107 /nfs/dbraw/zinc/22/81/07/386228107.db2.gz RYUXTIRUWZSBRY-UHFFFAOYSA-N 0 3 236.319 0.849 20 0 BCADHN CC[C@H](O)CN1C[C@H](C)N(C)C[C@H]1C ZINC000339061389 386230179 /nfs/dbraw/zinc/23/01/79/386230179.db2.gz JGKYPQOLWTZUED-AXFHLTTASA-N 0 3 200.326 0.782 20 0 BCADHN C[C@@H](CNC(=O)C1=COCCC1)N(C)C ZINC000264401460 386235119 /nfs/dbraw/zinc/23/51/19/386235119.db2.gz BZZNPUZFQBITKS-VIFPVBQESA-N 0 3 212.293 0.747 20 0 BCADHN O=C1CCCN1CCN1CCC[C@H]1CO ZINC000336648515 386260581 /nfs/dbraw/zinc/26/05/81/386260581.db2.gz OWRPXMMPDMLCAL-JTQLQIEISA-N 0 3 212.293 0.066 20 0 BCADHN COC[C@@H](NCCn1cncn1)[C@H]1CCCO1 ZINC000347079933 386239827 /nfs/dbraw/zinc/23/98/27/386239827.db2.gz IHAVNOSFWSWPHU-GHMZBOCLSA-N 0 3 240.307 0.062 20 0 BCADHN COC[C@H](NC(=O)[C@H](N)C(C)(C)C)C1CC1 ZINC000125356049 386240558 /nfs/dbraw/zinc/24/05/58/386240558.db2.gz XUGWLIMHSOOCFO-UWVGGRQHSA-N 0 3 228.336 0.901 20 0 BCADHN CN(C)CCN(C)c1ccnc(C(N)=O)c1 ZINC000132552504 386241797 /nfs/dbraw/zinc/24/17/97/386241797.db2.gz VEEAKLGZOVMMLN-UHFFFAOYSA-N 0 3 222.292 0.178 20 0 BCADHN CO[C@H]1CCCN(CCn2cncn2)C1 ZINC000336642617 386245571 /nfs/dbraw/zinc/24/55/71/386245571.db2.gz AJYGJUNAUYCPHB-JTQLQIEISA-N 0 3 210.281 0.389 20 0 BCADHN O=C(NC[C@H]1CC12CC2)[C@H]1CN2CCN1CCC2 ZINC000416262859 386249695 /nfs/dbraw/zinc/24/96/95/386249695.db2.gz XDFGXPOWEMWFOJ-VXGBXAGGSA-N 0 3 249.358 0.293 20 0 BCADHN CCN(C)C(=O)CN(C[C@H]1CCOC1)C1CC1 ZINC000339101718 386250080 /nfs/dbraw/zinc/25/00/80/386250080.db2.gz NKHFVFYKUWFKEE-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](O)CCN1CCC[C@@H](OCCO)C1 ZINC000336645080 386251184 /nfs/dbraw/zinc/25/11/84/386251184.db2.gz HPFXPGMZFWYYSS-GHMZBOCLSA-N 0 3 217.309 0.231 20 0 BCADHN Cc1noc(CCCN2CC[C@@H](O)C2)n1 ZINC000336645599 386252172 /nfs/dbraw/zinc/25/21/72/386252172.db2.gz IIIZLCKWTLVGHV-SECBINFHSA-N 0 3 211.265 0.377 20 0 BCADHN CC(C)(N)C(=O)NCCCn1cccn1 ZINC000157007408 386254282 /nfs/dbraw/zinc/25/42/82/386254282.db2.gz GPJCKKLRCROZKU-UHFFFAOYSA-N 0 3 210.281 0.127 20 0 BCADHN CO[C@@H]1CCN([C@H]2CCCCNC2=O)C1 ZINC000336647329 386258384 /nfs/dbraw/zinc/25/83/84/386258384.db2.gz MCBKIISMKJXSMM-ZJUUUORDSA-N 0 3 212.293 0.376 20 0 BCADHN Cc1cnc(C(=O)NCC2(N(C)C)CCC2)cn1 ZINC000275976350 386258781 /nfs/dbraw/zinc/25/87/81/386258781.db2.gz MCQSDELDOJZTIP-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN C[C@@H](O)CCNC(=O)C1CCN(C)CC1 ZINC000346244908 386192220 /nfs/dbraw/zinc/19/22/20/386192220.db2.gz WEEYYORMHYDFHC-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](O)C1)N(C)C1CC1 ZINC000346294551 386192238 /nfs/dbraw/zinc/19/22/38/386192238.db2.gz GGWKKAGESXAKGR-JFGNBEQYSA-N 0 3 240.347 0.746 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1cccc(CO)c1 ZINC000225421973 386193125 /nfs/dbraw/zinc/19/31/25/386193125.db2.gz PEVOAOWQSIAEIU-LBPRGKRZSA-N 0 3 236.315 0.778 20 0 BCADHN CN(C)c1ncc(CN[C@H]2CCCOC2)cn1 ZINC000288385657 386194117 /nfs/dbraw/zinc/19/41/17/386194117.db2.gz GMQXGTIIOGXVMB-NSHDSACASA-N 0 3 236.319 0.811 20 0 BCADHN C[C@H](O)CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000338981227 386194365 /nfs/dbraw/zinc/19/43/65/386194365.db2.gz GEXXPLQYMXHSBD-XLPZGREQSA-N 0 3 227.226 0.755 20 0 BCADHN C[C@@H](O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000346338722 386194354 /nfs/dbraw/zinc/19/43/54/386194354.db2.gz SIANTCDKWMAFFU-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)[C@@H](O)CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000340283109 386195460 /nfs/dbraw/zinc/19/54/60/386195460.db2.gz FSPKHQIVKQSJHA-NEPJUHHUSA-N 0 3 240.347 0.746 20 0 BCADHN CCC[C@@H]1CN(C[C@@H](C)O)CCN1C[C@H](C)O ZINC000340282619 386195842 /nfs/dbraw/zinc/19/58/42/386195842.db2.gz KZBKANRSUHBHJY-FRRDWIJNSA-N 0 3 244.379 0.534 20 0 BCADHN Cc1nc(CNC(=O)C2(N)CCCCC2)no1 ZINC000225487419 386198426 /nfs/dbraw/zinc/19/84/26/386198426.db2.gz CRUABOQAVAEGRM-UHFFFAOYSA-N 0 3 238.291 0.656 20 0 BCADHN O=C1CCCN1CCN1CCC[C@@H]1CCO ZINC000336662532 386281285 /nfs/dbraw/zinc/28/12/85/386281285.db2.gz OMXWSJDORPTZRT-LLVKDONJSA-N 0 3 226.320 0.456 20 0 BCADHN O=C1CCCN1CCN1CCC[C@H]1CCO ZINC000336662539 386281334 /nfs/dbraw/zinc/28/13/34/386281334.db2.gz OMXWSJDORPTZRT-NSHDSACASA-N 0 3 226.320 0.456 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)N[C@H]1CCCOC1 ZINC000417525310 386281805 /nfs/dbraw/zinc/28/18/05/386281805.db2.gz KVMZTFAYPDFEJD-AXFHLTTASA-N 0 3 241.335 0.557 20 0 BCADHN CCN(CCNS(C)(=O)=O)C1CCC1 ZINC000336668662 386282997 /nfs/dbraw/zinc/28/29/97/386282997.db2.gz CHOGBPPQZSCIAA-UHFFFAOYSA-N 0 3 220.338 0.410 20 0 BCADHN O=C1CCCN1CCN(CCO)C1CCC1 ZINC000336663397 386284757 /nfs/dbraw/zinc/28/47/57/386284757.db2.gz QGCDEOCCAQTIIP-UHFFFAOYSA-N 0 3 226.320 0.456 20 0 BCADHN C[C@H](CO)N(CC(=O)N1CCC1)C1CCCC1 ZINC000347207918 386285418 /nfs/dbraw/zinc/28/54/18/386285418.db2.gz SIYLBGQERBYCBP-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN CCN(C)CCNC(=O)c1cccn(C)c1=O ZINC000264938485 386286868 /nfs/dbraw/zinc/28/68/68/386286868.db2.gz VDUWKQKTWZYNCF-UHFFFAOYSA-N 0 3 237.303 0.067 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2COCCO2)CC[C@@H]1C ZINC000336664551 386286967 /nfs/dbraw/zinc/28/69/67/386286967.db2.gz FVZONGFMDMHENA-QJPTWQEYSA-N 0 3 229.320 0.759 20 0 BCADHN CCOC[C@@H](C)N[C@H]1CNCCC1(F)F ZINC000415004918 386289053 /nfs/dbraw/zinc/28/90/53/386289053.db2.gz QZMSPFJHSKMXBU-BDAKNGLRSA-N 0 3 222.279 0.998 20 0 BCADHN COC(=O)[C@H]1CCN(CCn2cncn2)[C@@H]1C ZINC000347223089 386290273 /nfs/dbraw/zinc/29/02/73/386290273.db2.gz KCMMKLKHESBVCJ-ZJUUUORDSA-N 0 3 238.291 0.162 20 0 BCADHN CC(=O)C1(C(=O)NCCN(C)C(C)C)CC1 ZINC000340311614 386291218 /nfs/dbraw/zinc/29/12/18/386291218.db2.gz INEKPBAVORPUNF-UHFFFAOYSA-N 0 3 226.320 0.812 20 0 BCADHN C[C@@H]1CNCCN1C(=O)c1ccc2c(c1)CNC2 ZINC000335263414 386292004 /nfs/dbraw/zinc/29/20/04/386292004.db2.gz HTTZAHPCMUCLOR-SNVBAGLBSA-N 0 3 245.326 0.724 20 0 BCADHN CC[C@H]1COCCN1C(=O)C[C@@H]1CNCCO1 ZINC000091299565 386292845 /nfs/dbraw/zinc/29/28/45/386292845.db2.gz IQLPBCQMZYQWRK-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN CN(Cc1cccnc1)C(=O)C[C@H]1CNCCO1 ZINC000091299451 386293142 /nfs/dbraw/zinc/29/31/42/386293142.db2.gz WHCIOPJDWHSOLE-LBPRGKRZSA-N 0 3 249.314 0.419 20 0 BCADHN CN1CCC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000643334172 386293311 /nfs/dbraw/zinc/29/33/11/386293311.db2.gz LQESGDAHZLIVFV-UWVGGRQHSA-N 0 3 208.305 0.997 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N(C)CC1CC(O)C1 ZINC000091489308 386299827 /nfs/dbraw/zinc/29/98/27/386299827.db2.gz SUKDTAHJAMNDLE-WHXUTIOJSA-N 0 3 242.363 0.992 20 0 BCADHN Cc1nonc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000265061868 386301800 /nfs/dbraw/zinc/30/18/00/386301800.db2.gz SRIJTUJPJZJKJV-VIFPVBQESA-N 0 3 238.291 0.544 20 0 BCADHN CN1CCO[C@H]2CN(CC3(C)COC3)C[C@H]21 ZINC000336672358 386302290 /nfs/dbraw/zinc/30/22/90/386302290.db2.gz KCIGKJKYZMUJQW-MNOVXSKESA-N 0 3 226.320 0.038 20 0 BCADHN CCN(C)CCNc1cc2nncn2c(C)n1 ZINC000298162750 386302703 /nfs/dbraw/zinc/30/27/03/386302703.db2.gz FEVMXTGEDXTDFD-UHFFFAOYSA-N 0 3 234.307 0.796 20 0 BCADHN CO[C@@H](C)CN1CCSC[C@@H]1CCO ZINC000336672279 386302980 /nfs/dbraw/zinc/30/29/80/386302980.db2.gz LWGGBDOLPNIALF-UWVGGRQHSA-N 0 3 219.350 0.821 20 0 BCADHN CCOC[C@H]1CCN([C@@H](CC)C(N)=O)C1 ZINC000081521579 386303165 /nfs/dbraw/zinc/30/31/65/386303165.db2.gz MTEBLEYYLDQOIF-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@@H](COC)N[C@@H]1CNCCC1(F)F ZINC000415005744 386304100 /nfs/dbraw/zinc/30/41/00/386304100.db2.gz RVLHIJSCMCDLGM-DTWKUNHWSA-N 0 3 222.279 0.998 20 0 BCADHN CC[C@H](COC)N[C@H]1CNCCC1(F)F ZINC000415005742 386304564 /nfs/dbraw/zinc/30/45/64/386304564.db2.gz RVLHIJSCMCDLGM-BDAKNGLRSA-N 0 3 222.279 0.998 20 0 BCADHN c1n[nH]cc1CCNCc1cnc2cnccn12 ZINC000289441171 386305153 /nfs/dbraw/zinc/30/51/53/386305153.db2.gz ASQGMRHDTZVDMB-UHFFFAOYSA-N 0 3 242.286 0.785 20 0 BCADHN OC[C@@H]1CC[C@@H](CO)N1CCOC1CCC1 ZINC000347304810 386305190 /nfs/dbraw/zinc/30/51/90/386305190.db2.gz LQMSJVKOEMVKOI-QWRGUYRKSA-N 0 3 229.320 0.373 20 0 BCADHN CC[C@H](COC)N[C@@H]1CNCCC1(F)F ZINC000415005751 386307048 /nfs/dbraw/zinc/30/70/48/386307048.db2.gz RVLHIJSCMCDLGM-RKDXNWHRSA-N 0 3 222.279 0.998 20 0 BCADHN CSC[C@@H]1CCCN1CCN1CCNC1=O ZINC000336673406 386307191 /nfs/dbraw/zinc/30/71/91/386307191.db2.gz TUWXJYJDFRSFPH-JTQLQIEISA-N 0 3 243.376 0.839 20 0 BCADHN CN(CCO)C[C@@H](O)COc1ccccc1F ZINC000298208112 386308327 /nfs/dbraw/zinc/30/83/27/386308327.db2.gz QXAAELLHXZYHEI-SNVBAGLBSA-N 0 3 243.278 0.490 20 0 BCADHN OC[C@H]1CC[C@@H](CO)N1CCC(F)(F)F ZINC000347270049 386309945 /nfs/dbraw/zinc/30/99/45/386309945.db2.gz HLEGZBLZZWVIJH-OCAPTIKFSA-N 0 3 227.226 0.756 20 0 BCADHN CC[C@H]1CCCN(CCS(=O)(=O)N(C)C)C1 ZINC000336669079 386310785 /nfs/dbraw/zinc/31/07/85/386310785.db2.gz REMCKDCTTWGKRO-NSHDSACASA-N 0 3 248.392 1.000 20 0 BCADHN CC(C)[C@H](O)CN1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000336669770 386312279 /nfs/dbraw/zinc/31/22/79/386312279.db2.gz WLGHCDLJDBRGPK-TUAOUCFPSA-N 0 3 228.336 0.018 20 0 BCADHN CO[C@]1(C)CCCN(CCN2CCNC2=O)C1 ZINC000336669542 386312736 /nfs/dbraw/zinc/31/27/36/386312736.db2.gz AMTDPQQRTPTHRV-GFCCVEGCSA-N 0 3 241.335 0.513 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000236778751 386312976 /nfs/dbraw/zinc/31/29/76/386312976.db2.gz VNTZMOOUAIFJBX-WPRPVWTQSA-N 0 3 224.308 0.581 20 0 BCADHN O=C1CCN(CCc2cccnc2)CCN1 ZINC000265155642 386313042 /nfs/dbraw/zinc/31/30/42/386313042.db2.gz UQZVHMLQXVXNCC-UHFFFAOYSA-N 0 3 219.288 0.446 20 0 BCADHN CC(C)(N)C(=O)NC[C@H](O)c1ccccc1F ZINC000236798022 386314311 /nfs/dbraw/zinc/31/43/11/386314311.db2.gz IFSJLWOCJCAHED-JTQLQIEISA-N 0 3 240.278 0.713 20 0 BCADHN CCN(C(=O)[C@@H](CN)OC)c1nc(C)cs1 ZINC000289479418 386314833 /nfs/dbraw/zinc/31/48/33/386314833.db2.gz BRVGWMSFGQLFNO-MRVPVSSYSA-N 0 3 243.332 0.778 20 0 BCADHN C[C@H](CO)N(CCc1cncn1C)C[C@H](C)O ZINC000289491365 386317270 /nfs/dbraw/zinc/31/72/70/386317270.db2.gz CNETWCJUIBRAOR-MNOVXSKESA-N 0 3 241.335 0.026 20 0 BCADHN CC[C@@H](C)CN(C)CCN1CCCS1(=O)=O ZINC000336678430 386318935 /nfs/dbraw/zinc/31/89/35/386318935.db2.gz OOZSUHZXFLKDLT-LLVKDONJSA-N 0 3 248.392 1.000 20 0 BCADHN CO[C@H]1CN(CCN2CCNC2=O)CC[C@H]1C ZINC000336678881 386319149 /nfs/dbraw/zinc/31/91/49/386319149.db2.gz DERPFVBSKOXRMH-MNOVXSKESA-N 0 3 241.335 0.368 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CCNC[C@@](C)(F)C1 ZINC000336212308 386319906 /nfs/dbraw/zinc/31/99/06/386319906.db2.gz LYEHIYDHRPBSSL-CMPLNLGQSA-N 0 3 245.342 0.520 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@](C)(C(N)=O)C1 ZINC000289510416 386320163 /nfs/dbraw/zinc/32/01/63/386320163.db2.gz DFCDXCNOOLZRPQ-LBPRGKRZSA-N 0 3 236.319 0.426 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)N ZINC000236876643 386320214 /nfs/dbraw/zinc/32/02/14/386320214.db2.gz JGALBMTVKUZOBL-HTQZYQBOSA-N 0 3 229.324 0.143 20 0 BCADHN O=C(Nc1cn[nH]c1)[C@@H]1CNCCC1(F)F ZINC000647988809 386321094 /nfs/dbraw/zinc/32/10/94/386321094.db2.gz QTGCUDUBCRRBAT-ZETCQYMHSA-N 0 3 230.218 0.593 20 0 BCADHN CCc1ccccc1[C@H](N)CNC(N)=O ZINC000416445288 386322233 /nfs/dbraw/zinc/32/22/33/386322233.db2.gz KUQRAYCCECNWQT-SNVBAGLBSA-N 0 3 207.277 0.917 20 0 BCADHN c1cn([C@@H]2CCCN([C@H]3CCOC3)C2)nn1 ZINC000425520165 386322615 /nfs/dbraw/zinc/32/26/15/386322615.db2.gz XKBNGDYKNNDDBG-MNOVXSKESA-N 0 3 222.292 0.704 20 0 BCADHN C[C@H](NC(=O)C1(N)CCCCC1)c1ncon1 ZINC000125495690 386261503 /nfs/dbraw/zinc/26/15/03/386261503.db2.gz JDRDRCQXXFTSIN-QMMMGPOBSA-N 0 3 238.291 0.908 20 0 BCADHN CN(C[C@@H]1CCCO1)C[C@@H]1COCCO1 ZINC000336650736 386262991 /nfs/dbraw/zinc/26/29/91/386262991.db2.gz SYPTVDMKIUBZEZ-WDEREUQCSA-N 0 3 215.293 0.513 20 0 BCADHN COC[C@H]1CN(C[C@@H]2CCOC2)CCO1 ZINC000336650401 386263245 /nfs/dbraw/zinc/26/32/45/386263245.db2.gz SSDFZOQIBNLKLD-WDEREUQCSA-N 0 3 215.293 0.370 20 0 BCADHN Cc1cnn(CC(=O)NCC2(N(C)C)CC2)c1 ZINC000416298180 386264799 /nfs/dbraw/zinc/26/47/99/386264799.db2.gz CCZOVSZSJZWZRK-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN CC(C)N(C)CC(=O)NCC1(N(C)C)CC1 ZINC000416304074 386266073 /nfs/dbraw/zinc/26/60/73/386266073.db2.gz SYJIHDMIQNDVKG-UHFFFAOYSA-N 0 3 227.352 0.537 20 0 BCADHN CN(C)C1(CNC(=O)c2ccn[nH]2)CC1 ZINC000416306224 386266108 /nfs/dbraw/zinc/26/61/08/386266108.db2.gz ZLAQWQBTPNWUNO-UHFFFAOYSA-N 0 3 208.265 0.234 20 0 BCADHN CN(C)CCN(C)Cc1cc(C(N)=O)cs1 ZINC000289145539 386266326 /nfs/dbraw/zinc/26/63/26/386266326.db2.gz AQCCJLXDXQOUDJ-UHFFFAOYSA-N 0 3 241.360 0.840 20 0 BCADHN CCOCCC(=O)NCC1(N(C)C)CC1 ZINC000416303266 386267313 /nfs/dbraw/zinc/26/73/13/386267313.db2.gz QRQVACMMXZKBNT-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CO[C@H](C)CN1CCC[C@H](OCCO)C1 ZINC000336651467 386267698 /nfs/dbraw/zinc/26/76/98/386267698.db2.gz VGCSBSMPLKPICS-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN Cc1cc(C(=O)NC[C@H](C)N(C)C2CC2)cnn1 ZINC000276071295 386268834 /nfs/dbraw/zinc/26/88/34/386268834.db2.gz MCMWDEXLHMGNJR-JTQLQIEISA-N 0 3 248.330 0.998 20 0 BCADHN CN(Cc1cnn(C)c1)CC1(O)CCC1 ZINC000336652456 386268975 /nfs/dbraw/zinc/26/89/75/386268975.db2.gz WPQFHINNKLNPKA-UHFFFAOYSA-N 0 3 209.293 0.767 20 0 BCADHN CCN(CC(=O)NCC1(N(C)C)CC1)C1CC1 ZINC000416308258 386269660 /nfs/dbraw/zinc/26/96/60/386269660.db2.gz PXLVJDDBEPRSEL-UHFFFAOYSA-N 0 3 239.363 0.681 20 0 BCADHN Cc1ccc(NC(=O)C(C)(C)N)cc1C(N)=O ZINC000262542050 386270558 /nfs/dbraw/zinc/27/05/58/386270558.db2.gz SHQRTZQQFVHUHR-UHFFFAOYSA-N 0 3 235.287 0.770 20 0 BCADHN CN(C)C1(CNC(=O)[C@](C)(O)C2CC2)CC1 ZINC000416308986 386270815 /nfs/dbraw/zinc/27/08/15/386270815.db2.gz SXZKKTKESXWGKB-LLVKDONJSA-N 0 3 226.320 0.358 20 0 BCADHN CCC[C@@](C)(O)C(=O)NCC1(N(C)C)CC1 ZINC000416309025 386271108 /nfs/dbraw/zinc/27/11/08/386271108.db2.gz UBAOUUOEWSAFCX-LLVKDONJSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)NCC2(N(C)C)CC2)CO1 ZINC000416309043 386271264 /nfs/dbraw/zinc/27/12/64/386271264.db2.gz UFLMBSVQKDJTMW-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1OCC[C@H]1N(CCO)C[C@H]1CCCO1 ZINC000339150272 386272179 /nfs/dbraw/zinc/27/21/79/386272179.db2.gz VCRKAYWXOPEBCM-QJPTWQEYSA-N 0 3 229.320 0.637 20 0 BCADHN CCOCCOCCN(C)CCn1cncn1 ZINC000347179898 386272565 /nfs/dbraw/zinc/27/25/65/386272565.db2.gz JDHNEHXVXIGNBO-UHFFFAOYSA-N 0 3 242.323 0.263 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2CC2(F)F)CC1 ZINC000416309767 386272724 /nfs/dbraw/zinc/27/27/24/386272724.db2.gz XJFWJFLPURBGED-ZETCQYMHSA-N 0 3 218.247 0.852 20 0 BCADHN Cc1cc(C(=O)NCC2(N(C)C)CC2)cnn1 ZINC000416309561 386272910 /nfs/dbraw/zinc/27/29/10/386272910.db2.gz WEYQFCVNFRISHR-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN CCc1nc(C(=O)NCC2(N(C)C)CC2)no1 ZINC000416310032 386272948 /nfs/dbraw/zinc/27/29/48/386272948.db2.gz XZLOOUYQTUWLQA-UHFFFAOYSA-N 0 3 238.291 0.456 20 0 BCADHN CC[C@H](O)CN(CCO)[C@H]1CCO[C@H]1C ZINC000339146926 386273084 /nfs/dbraw/zinc/27/30/84/386273084.db2.gz BHVIXKMTQBSMHR-DCAQKATOSA-N 0 3 217.309 0.229 20 0 BCADHN Cc1cc(C(=O)N(C)CCN(C)C)cnn1 ZINC000276103632 386273962 /nfs/dbraw/zinc/27/39/62/386273962.db2.gz SIRDSOXSMJFOHR-UHFFFAOYSA-N 0 3 222.292 0.419 20 0 BCADHN C[C@H]1CN(CCOC2CCC2)CCN1CCO ZINC000347236932 386274494 /nfs/dbraw/zinc/27/44/94/386274494.db2.gz TZWPWMJASWETFO-LBPRGKRZSA-N 0 3 242.363 0.554 20 0 BCADHN CCN(C)CCNC(=O)c1ccc[nH]c1=O ZINC000264879389 386279147 /nfs/dbraw/zinc/27/91/47/386279147.db2.gz HSMIVVIBYCQQBC-UHFFFAOYSA-N 0 3 223.276 0.469 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CC[C@@H](C)O2)C[C@@H]1OC ZINC000336661791 386279727 /nfs/dbraw/zinc/27/97/27/386279727.db2.gz AGUUCANYFHTXFV-KXNHARMFSA-N 0 3 229.320 0.900 20 0 BCADHN C([C@H]1COCCO1)N1CCN(C2CCC2)CC1 ZINC000336682219 386339680 /nfs/dbraw/zinc/33/96/80/386339680.db2.gz DAFYUHNACMGWOO-ZDUSSCGKSA-N 0 3 240.347 0.572 20 0 BCADHN CC[C@@H](C(=O)OC)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425540110 386342562 /nfs/dbraw/zinc/34/25/62/386342562.db2.gz DUGXRXYDQOAJNZ-BDAKNGLRSA-N 0 3 238.291 0.546 20 0 BCADHN COC[C@H](C)N1C[C@@H](OC)[C@H](OC)C1 ZINC000336682642 386342602 /nfs/dbraw/zinc/34/26/02/386342602.db2.gz ILNDAGKJAUDNBF-IVZWLZJFSA-N 0 3 203.282 0.367 20 0 BCADHN CCN(CCCO)[C@@H]1CCN(C(C)C)C1=O ZINC000336686270 386345468 /nfs/dbraw/zinc/34/54/68/386345468.db2.gz WBICPYPIDRTXCX-LLVKDONJSA-N 0 3 228.336 0.700 20 0 BCADHN CC(C)N1CCC[C@H](N2C[C@@H](O)C[C@@H]2C)C1=O ZINC000336687357 386346851 /nfs/dbraw/zinc/34/68/51/386346851.db2.gz GSKXQXSRCNWJRB-SRVKXCTJSA-N 0 3 240.347 0.841 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)C=Cc2c[nH]cn2)C1 ZINC000276584797 386348838 /nfs/dbraw/zinc/34/88/38/386348838.db2.gz MEDOJNGSGRAMDV-FYJFLYSWSA-N 0 3 248.330 0.976 20 0 BCADHN CC(C)COCCN1[C@@H](CO)CC[C@@H]1CO ZINC000347305644 386349363 /nfs/dbraw/zinc/34/93/63/386349363.db2.gz MAVBZBJNSZTCGC-VXGBXAGGSA-N 0 3 231.336 0.477 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1nncs1 ZINC000265591313 386349650 /nfs/dbraw/zinc/34/96/50/386349650.db2.gz APSVWAATQUACIH-ONEGZZNKSA-N 0 3 212.278 0.594 20 0 BCADHN COC[C@@H]1CCN([C@H]2CCN(C(C)C)C2=O)C1 ZINC000336688348 386351424 /nfs/dbraw/zinc/35/14/24/386351424.db2.gz HCBFSGZUIOUEAQ-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN CCOC(=O)CCCN1[C@@H](CO)CC[C@H]1CO ZINC000347309030 386351623 /nfs/dbraw/zinc/35/16/23/386351623.db2.gz OBBFSJMJVDAHGH-PHIMTYICSA-N 0 3 245.319 0.147 20 0 BCADHN COC[C@@H]1CCN1C[C@@H](O)COC(C)C ZINC000339283477 386352965 /nfs/dbraw/zinc/35/29/65/386352965.db2.gz VKTGHYGAYKHSEO-WDEREUQCSA-N 0 3 217.309 0.493 20 0 BCADHN COC[C@H]1CCN1C[C@@H](O)COC(C)C ZINC000339283474 386353469 /nfs/dbraw/zinc/35/34/69/386353469.db2.gz 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JXWIIEVCPKECGC-WCBMZHEXSA-N 0 3 209.293 0.892 20 0 BCADHN CC(C)[C@@H](CO)CNCc1nccn1C ZINC000336757311 386584387 /nfs/dbraw/zinc/58/43/87/386584387.db2.gz KAOAIJVAPFDNHL-SNVBAGLBSA-N 0 3 211.309 0.774 20 0 BCADHN CO[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC000267779726 386584530 /nfs/dbraw/zinc/58/45/30/386584530.db2.gz HPXMGWYSJWUPFC-NSHDSACASA-N 0 3 209.293 0.683 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000408432516 386584559 /nfs/dbraw/zinc/58/45/59/386584559.db2.gz GSKQPKJSBSJTOI-WOPDTQHZSA-N 0 3 242.363 0.992 20 0 BCADHN COCCNCCNC(=O)N[C@H](C)CSC ZINC000417719995 386588209 /nfs/dbraw/zinc/58/82/09/386588209.db2.gz JETNRLPDKQJNAJ-SECBINFHSA-N 0 3 249.380 0.273 20 0 BCADHN COCCNCCNC(=O)N[C@@H](C)CSC ZINC000417719996 386588986 /nfs/dbraw/zinc/58/89/86/386588986.db2.gz JETNRLPDKQJNAJ-VIFPVBQESA-N 0 3 249.380 0.273 20 0 BCADHN CC[C@@H](NC(=O)/C=C/CN(C)C)C(=O)OC ZINC000267861289 386592217 /nfs/dbraw/zinc/59/22/17/386592217.db2.gz SFJOZVIHSWHEEV-XCODYQFDSA-N 0 3 228.292 0.172 20 0 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ZINC000332044499 386546020 /nfs/dbraw/zinc/54/60/20/386546020.db2.gz MDRQXHFPYCRCGK-LBPRGKRZSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1cnc(CNC[C@@H]2CCOC2)n1C ZINC000336733603 386546790 /nfs/dbraw/zinc/54/67/90/386546790.db2.gz MNZCZTVULKXBGD-JTQLQIEISA-N 0 3 209.293 0.855 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)NC2CCN(C)CC2)CO1 ZINC000335463484 386547995 /nfs/dbraw/zinc/54/79/95/386547995.db2.gz VBTFXVBGHXQCED-MWLCHTKSSA-N 0 3 241.335 0.557 20 0 BCADHN C/C=C(\C)C(=O)NCCN(C)CCOC ZINC000267542329 386551567 /nfs/dbraw/zinc/55/15/67/386551567.db2.gz AZKCDHVYUIGWFV-BJMVGYQFSA-N 0 3 214.309 0.647 20 0 BCADHN CC[C@H](C)NC(=O)CN1CCNC[C@@H]1C(F)F ZINC000519775048 386554572 /nfs/dbraw/zinc/55/45/72/386554572.db2.gz NNWUFJQPAJDMDW-DTWKUNHWSA-N 0 3 249.305 0.440 20 0 BCADHN CCC[C@H](N)C(=O)N1CCCO[C@H](C)C1 ZINC000061920410 386554875 /nfs/dbraw/zinc/55/48/75/386554875.db2.gz JLVMXEAJIITUJU-ZJUUUORDSA-N 0 3 214.309 0.751 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCCO[C@@H](C)C1 ZINC000061920300 386556300 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IVJUUJUOBMYRHL-PWSUYJOCSA-N 0 3 248.330 0.618 20 0 BCADHN O=C1NCCCC[C@@H]1N1CC[C@H](n2cccn2)C1 ZINC000291726262 386573936 /nfs/dbraw/zinc/57/39/36/386573936.db2.gz JJEYQRHFXCWWAK-RYUDHWBXSA-N 0 3 248.330 0.799 20 0 BCADHN COC(=O)C(C)(C)CNC(=O)/C=C/CN(C)C ZINC000268094162 386619630 /nfs/dbraw/zinc/61/96/30/386619630.db2.gz DFVNSMZNQDZKJJ-VOTSOKGWSA-N 0 3 242.319 0.420 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1cocn1 ZINC000268111506 386620067 /nfs/dbraw/zinc/62/00/67/386620067.db2.gz JGHLAYHNPJOAOJ-SECBINFHSA-N 0 3 223.276 0.841 20 0 BCADHN CN(Cc1cnn(C)c1)C1(CO)CCC1 ZINC000292135362 386622173 /nfs/dbraw/zinc/62/21/73/386622173.db2.gz LURMJGZUMVNVKM-UHFFFAOYSA-N 0 3 209.293 0.767 20 0 BCADHN C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000335498636 386622694 /nfs/dbraw/zinc/62/26/94/386622694.db2.gz RQFOFGLECZGOHB-SNVBAGLBSA-N 0 3 241.335 0.052 20 0 BCADHN CCN(CCOC)CCN1CCOC[C@@H]1C ZINC000337137668 386623710 /nfs/dbraw/zinc/62/37/10/386623710.db2.gz OJNVQGGYANPMCN-LBPRGKRZSA-N 0 3 230.352 0.675 20 0 BCADHN CC(C)C[C@H](C)CN1CCN(CC(N)=O)CC1 ZINC000337136426 386623792 /nfs/dbraw/zinc/62/37/92/386623792.db2.gz OOCZRHAQGCCDRP-LBPRGKRZSA-N 0 3 241.379 0.772 20 0 BCADHN O=C1NCCCC[C@H]1N1CC[C@@H](c2nnc[nH]2)C1 ZINC000425551727 386625441 /nfs/dbraw/zinc/62/54/41/386625441.db2.gz QTGUIEHCOJEDIE-NXEZZACHSA-N 0 3 249.318 0.263 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CC[C@@](O)(CC)C1 ZINC000425923137 386630229 /nfs/dbraw/zinc/63/02/29/386630229.db2.gz SZHTVRZRKDPBDS-NEPJUHHUSA-N 0 3 245.319 0.147 20 0 BCADHN COCCOCCN1CC[C@H](c2nnc[nH]2)C1 ZINC000425556284 386632147 /nfs/dbraw/zinc/63/21/47/386632147.db2.gz ZZLPMBOYKYKHCA-JTQLQIEISA-N 0 3 240.307 0.257 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000268237231 386633000 /nfs/dbraw/zinc/63/30/00/386633000.db2.gz ODDFGUSFXNPGLC-UFBFGSQYSA-N 0 3 248.330 0.931 20 0 BCADHN Cc1cc(C(=O)NCC2=CCN(C)CC2)nn1C ZINC000329218783 386635621 /nfs/dbraw/zinc/63/56/21/386635621.db2.gz RZKWQAJGPOJYNE-UHFFFAOYSA-N 0 3 248.330 0.720 20 0 BCADHN CC(C)n1cc(CNC[C@H](C)N(C)C)nn1 ZINC000336646752 386639678 /nfs/dbraw/zinc/63/96/78/386639678.db2.gz FCFMFIVLQOSMSO-JTQLQIEISA-N 0 3 225.340 0.899 20 0 BCADHN Cc1cn[nH]c1CN[C@H](C)CCS(C)(=O)=O ZINC000336758776 386640429 /nfs/dbraw/zinc/64/04/29/386640429.db2.gz ZSQWAAKYTNLKTK-SECBINFHSA-N 0 3 245.348 0.631 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCCn2ccnc21 ZINC000329261554 386645184 /nfs/dbraw/zinc/64/51/84/386645184.db2.gz FVCVVYGTNDNYOZ-JTQLQIEISA-N 0 3 246.318 0.679 20 0 BCADHN CC(C)[C@H](C)CNC(=O)NC[C@H]1CNCCO1 ZINC000417723183 386599542 /nfs/dbraw/zinc/59/95/42/386599542.db2.gz WIVASLOYLINMGB-GHMZBOCLSA-N 0 3 243.351 0.566 20 0 BCADHN C[C@H](CC(=O)N[C@@H](C)CN(C)C)n1cccn1 ZINC000424846499 386600425 /nfs/dbraw/zinc/60/04/25/386600425.db2.gz JOTVGCGAORYTNP-WDEREUQCSA-N 0 3 238.335 0.901 20 0 BCADHN COCCNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000187818179 386601348 /nfs/dbraw/zinc/60/13/48/386601348.db2.gz NZNOONBTHJDPAY-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN CC[C@H](COC)NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000417728000 386601936 /nfs/dbraw/zinc/60/19/36/386601936.db2.gz OSUJYLBJYFLBAE-HBNTYKKESA-N 0 3 243.351 0.803 20 0 BCADHN CC[C@H](COC)NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000417728001 386602067 /nfs/dbraw/zinc/60/20/67/386602067.db2.gz OSUJYLBJYFLBAE-OUAUKWLOSA-N 0 3 243.351 0.803 20 0 BCADHN Cn1nccc1NC(=O)C1CCN(C)CC1 ZINC000336406385 386603174 /nfs/dbraw/zinc/60/31/74/386603174.db2.gz MMCRFVQCMQVHAS-UHFFFAOYSA-N 0 3 222.292 0.700 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000136581271 386606182 /nfs/dbraw/zinc/60/61/82/386606182.db2.gz UIZATJWCNSVLLB-XROYCOCOSA-N 0 3 220.272 0.108 20 0 BCADHN CC(C)N1CCC[C@H](N2CCC[C@@H](O)C2)C1=O ZINC000248370247 386607343 /nfs/dbraw/zinc/60/73/43/386607343.db2.gz XFPVRBQMZSUOCN-NEPJUHHUSA-N 0 3 240.347 0.843 20 0 BCADHN CCO[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366500825 386607697 /nfs/dbraw/zinc/60/76/97/386607697.db2.gz CTDZHHGGYQRAPV-XKNYDFJKSA-N 0 3 230.283 0.228 20 0 BCADHN Cc1ccc(CCCN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000278953974 386608597 /nfs/dbraw/zinc/60/85/97/386608597.db2.gz ZABUIHVSMYREJQ-KBPBESRZSA-N 0 3 235.327 0.965 20 0 BCADHN C[C@H](O)CN(C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000245848366 386608840 /nfs/dbraw/zinc/60/88/40/386608840.db2.gz LUXAXIJXBLNTRK-XDTLVQLUSA-N 0 3 221.300 0.957 20 0 BCADHN CN(C)C[C@@H](NC(=O)CO)c1ccc(F)cc1 ZINC000292017051 386611608 /nfs/dbraw/zinc/61/16/08/386611608.db2.gz ZYDJMJUBOOHECG-LLVKDONJSA-N 0 3 240.278 0.537 20 0 BCADHN C[NH2+]CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000417737552 386611826 /nfs/dbraw/zinc/61/18/26/386611826.db2.gz YACHZMNLGJBFFC-UHFFFAOYSA-N 0 3 241.266 0.550 20 0 BCADHN CO[C@@H](CN1CCCN(C(N)=O)CC1)C1CC1 ZINC000644921209 386612295 /nfs/dbraw/zinc/61/22/95/386612295.db2.gz KHCNANGJSHDIQQ-NSHDSACASA-N 0 3 241.335 0.498 20 0 BCADHN C[C@H](O)CCN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000644921310 386612537 /nfs/dbraw/zinc/61/25/37/386612537.db2.gz CYHRSTORSDMTQU-YNEHKIRRSA-N 0 3 242.363 0.288 20 0 BCADHN O=C1C[C@]2(CCN(C/C=C/Cl)C2)CN1 ZINC000278958494 386612872 /nfs/dbraw/zinc/61/28/72/386612872.db2.gz WMKNDXGPSHDNCP-UDIQPFLZSA-N 0 3 214.696 0.951 20 0 BCADHN C[C@H]1[C@@H](N[C@H]2CCCOC2)CCS1(=O)=O ZINC000329152712 386617140 /nfs/dbraw/zinc/61/71/40/386617140.db2.gz BJTISCIQHVZQCP-GUBZILKMSA-N 0 3 233.333 0.331 20 0 BCADHN C[C@H]1OCC[C@H]1NCC(=O)NCc1ccco1 ZINC000292105880 386618984 /nfs/dbraw/zinc/61/89/84/386618984.db2.gz GOFBEWJHXYEDSZ-MWLCHTKSSA-N 0 3 238.287 0.663 20 0 BCADHN CCn1nccc1NC(=O)COC1(C)CNC1 ZINC000647907391 386661607 /nfs/dbraw/zinc/66/16/07/386661607.db2.gz ONKWYNLGPVGACN-UHFFFAOYSA-N 0 3 238.291 0.220 20 0 BCADHN CC(C)[C@H](O)CN1CCN(C(C)(C)CO)CC1 ZINC000644998295 386662892 /nfs/dbraw/zinc/66/28/92/386662892.db2.gz SXZWNVSSWKJDMK-GFCCVEGCSA-N 0 3 244.379 0.392 20 0 BCADHN COC(=O)CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000120228128 386663379 /nfs/dbraw/zinc/66/33/79/386663379.db2.gz CLSBFZARQLTSPZ-NXEZZACHSA-N 0 3 242.319 0.539 20 0 BCADHN CC(C)[C@H](O)CN1CCN(CCO)C(C)(C)C1 ZINC000645002115 386663756 /nfs/dbraw/zinc/66/37/56/386663756.db2.gz AGCKBAFZIANAMI-GFCCVEGCSA-N 0 3 244.379 0.392 20 0 BCADHN Cc1c([C@@H]2OCC[C@H]2NC[C@H](C)O)cnn1C ZINC000337205752 386666001 /nfs/dbraw/zinc/66/60/01/386666001.db2.gz LEMQQTQHPVRRRG-AXTRIDKLSA-N 0 3 239.319 0.529 20 0 BCADHN CO[C@H](CN)C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000353164619 386668675 /nfs/dbraw/zinc/66/86/75/386668675.db2.gz IKYGNSYHQDUERP-GZMMTYOYSA-N 0 3 226.320 0.750 20 0 BCADHN COC(=O)C[C@]1(NCCCF)CCOC1 ZINC000336759954 386670070 /nfs/dbraw/zinc/67/00/70/386670070.db2.gz LILGITRCTMAEQA-SNVBAGLBSA-N 0 3 219.256 0.658 20 0 BCADHN CC[C@]1(O)CCN([C@H](C)C(=O)NCC(C)C)C1 ZINC000425933024 386671586 /nfs/dbraw/zinc/67/15/86/386671586.db2.gz XNKPPHWTHIFZPA-YPMHNXCESA-N 0 3 242.363 0.994 20 0 BCADHN COC1(C(=O)N2CC[C@@]3(CCN(C)C3)C2)CC1 ZINC000648400141 386671539 /nfs/dbraw/zinc/67/15/39/386671539.db2.gz BRIJVEDIOAHSKP-GFCCVEGCSA-N 0 3 238.331 0.720 20 0 BCADHN CN(C)CCNC(=O)c1cc(C2CC2)on1 ZINC000041452756 386671821 /nfs/dbraw/zinc/67/18/21/386671821.db2.gz AHTFIVJFVABMFM-UHFFFAOYSA-N 0 3 223.276 0.843 20 0 BCADHN CN1C[C@@H]2CCCN(Cc3nccn3C)[C@@H]2C1 ZINC000335528196 386672530 /nfs/dbraw/zinc/67/25/30/386672530.db2.gz CEVMJFRBIBVRJS-NWDGAFQWSA-N 0 3 234.347 0.946 20 0 BCADHN C[C@H](O)CN1C[C@@H](C)N(C[C@H](C)O)[C@@H](C)C1 ZINC000337243304 386673381 /nfs/dbraw/zinc/67/33/81/386673381.db2.gz NRZRRCMAGUXLTP-USZNOCQGSA-N 0 3 230.352 0.143 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000452689668 386674703 /nfs/dbraw/zinc/67/47/03/386674703.db2.gz ZQLLNHAJQGPIPX-DTORHVGOSA-N 0 3 220.263 0.847 20 0 BCADHN CN(CCC1CCOCC1)CC(N)=O ZINC000120760833 386675449 /nfs/dbraw/zinc/67/54/49/386675449.db2.gz QGDMQUSNVTUUCM-UHFFFAOYSA-N 0 3 200.282 0.220 20 0 BCADHN CCOCCN[C@@H](CO)[C@@H]1CCCO1 ZINC000336647896 386678044 /nfs/dbraw/zinc/67/80/44/386678044.db2.gz FTAFZODTDYCCBY-UWVGGRQHSA-N 0 3 203.282 0.152 20 0 BCADHN CCN[C@H](C)C(=O)NC1(C(N)=O)CCCCC1 ZINC000637936802 386682628 /nfs/dbraw/zinc/68/26/28/386682628.db2.gz HGNSGYSDYLUUBG-SECBINFHSA-N 0 3 241.335 0.289 20 0 BCADHN O=C1NC[C@@H]2[C@@H]1CCCN2C[C@H]1CCCO1 ZINC000337252830 386678339 /nfs/dbraw/zinc/67/83/39/386678339.db2.gz PCILEDQPUAXRFZ-OUAUKWLOSA-N 0 3 224.304 0.376 20 0 BCADHN CC(=O)CCN1CC[C@@H](N2CCOCC2)C1 ZINC000062981799 386679176 /nfs/dbraw/zinc/67/91/76/386679176.db2.gz QXZFDKLAFPPFMD-GFCCVEGCSA-N 0 3 226.320 0.372 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H](C)N)CCS1 ZINC000121602447 386709531 /nfs/dbraw/zinc/70/95/31/386709531.db2.gz BEACQFSZTKFRHV-DTWKUNHWSA-N 0 3 216.350 0.934 20 0 BCADHN CCN(C)CCNC(=O)NC[C@]1(C)CCCO1 ZINC000121628455 386710742 /nfs/dbraw/zinc/71/07/42/386710742.db2.gz IVHYPMCPMIUZFY-LBPRGKRZSA-N 0 3 243.351 0.806 20 0 BCADHN C[C@H](C[N-]S(=O)(=O)c1ccco1)C[NH+](C)C ZINC000292511830 386683365 /nfs/dbraw/zinc/68/33/65/386683365.db2.gz DZGGOIGRNLUNND-SECBINFHSA-N 0 3 246.332 0.756 20 0 BCADHN CN(C(=O)[C@](C)(O)C1CC1)C1CCN(C)CC1 ZINC000335467972 386683336 /nfs/dbraw/zinc/68/33/36/386683336.db2.gz KSGDQNUUAXUJBZ-CYBMUJFWSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCc1cncnc1 ZINC000292531793 386685771 /nfs/dbraw/zinc/68/57/71/386685771.db2.gz VAALUWMUJOPYJN-JTQLQIEISA-N 0 3 236.319 0.476 20 0 BCADHN CS(=O)(=O)CCCN1CCCC[C@H]1CN ZINC000063015261 386685852 /nfs/dbraw/zinc/68/58/52/386685852.db2.gz CMXACZPFIRCDNQ-JTQLQIEISA-N 0 3 234.365 0.234 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CC[C@H]1C(=O)OC ZINC000352839626 386689194 /nfs/dbraw/zinc/68/91/94/386689194.db2.gz ADCQJIQFNOTJAO-VHSXEESVSA-N 0 3 242.319 0.254 20 0 BCADHN CCN(C)C(=O)CCN1CCN(C)[C@H](C)[C@@H]1C ZINC000357008893 386690042 /nfs/dbraw/zinc/69/00/42/386690042.db2.gz VGUHGZPWYPUHDD-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN CO[C@H]1CCN(CCN2CCO[C@@H](C)C2)C1 ZINC000337258141 386690429 /nfs/dbraw/zinc/69/04/29/386690429.db2.gz URPMJCJAYNPMRT-RYUDHWBXSA-N 0 3 228.336 0.428 20 0 BCADHN CO[C@H](C)CN1CCC[C@@H]2C(=O)NC[C@H]21 ZINC000337258596 386691139 /nfs/dbraw/zinc/69/11/39/386691139.db2.gz VDOCXCIYIJGIHZ-KXUCPTDWSA-N 0 3 212.293 0.232 20 0 BCADHN CCN(CCCO)CCN1CCO[C@H](C)C1 ZINC000337257288 386691568 /nfs/dbraw/zinc/69/15/68/386691568.db2.gz UDRREOGZPZUWFW-GFCCVEGCSA-N 0 3 230.352 0.411 20 0 BCADHN C[C@@H](CCCO)NC(=O)NC[C@H]1CCCN1C ZINC000121065441 386691725 /nfs/dbraw/zinc/69/17/25/386691725.db2.gz NGPYKVLUZCMUMU-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN CCc1cc(OC)ccc1CNC[C@H](O)CO ZINC000337261980 386694667 /nfs/dbraw/zinc/69/46/67/386694667.db2.gz QRDNFOTXFYCMEQ-LBPRGKRZSA-N 0 3 239.315 0.700 20 0 BCADHN C[C@@H](N)C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000335476527 386700186 /nfs/dbraw/zinc/70/01/86/386700186.db2.gz CXIPAQCXQXXWRQ-KOLCDFICSA-N 0 3 226.320 0.751 20 0 BCADHN CC[C@H](N)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000335478298 386704536 /nfs/dbraw/zinc/70/45/36/386704536.db2.gz SGUXHJQZDZYXHJ-WDEREUQCSA-N 0 3 227.352 0.522 20 0 BCADHN C[C@@H]1CN(C(=O)N[C@@H]2CCSC2)[C@H](C)CN1 ZINC000417773916 386705967 /nfs/dbraw/zinc/70/59/67/386705967.db2.gz MCIZMKRBDJGTSG-OPRDCNLKSA-N 0 3 243.376 0.884 20 0 BCADHN CC(=O)NCCN(CCO)C1CCSCC1 ZINC000330415388 386706862 /nfs/dbraw/zinc/70/68/62/386706862.db2.gz ANZPHOOTYAJTKY-UHFFFAOYSA-N 0 3 246.376 0.312 20 0 BCADHN CC(=O)[C@@](C)(O)CN(C)[C@@H]1CCCC[C@H]1O ZINC000450792817 386708379 /nfs/dbraw/zinc/70/83/79/386708379.db2.gz OIJVQLMTRGHPTE-UTUOFQBUSA-N 0 3 229.320 0.562 20 0 BCADHN C[C@H](CCO)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000330480106 386731898 /nfs/dbraw/zinc/73/18/98/386731898.db2.gz MWGPGUPVJUVXLO-GMTAPVOTSA-N 0 3 228.336 0.746 20 0 BCADHN CCN(CCc1cn[nH]n1)C[C@@H]1CCCO1 ZINC000647961705 386736122 /nfs/dbraw/zinc/73/61/22/386736122.db2.gz ZCWUYGSJZXXADK-NSHDSACASA-N 0 3 224.308 0.848 20 0 BCADHN CN(C)CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269013402 386737672 /nfs/dbraw/zinc/73/76/72/386737672.db2.gz HTDRKPPCUAUCJU-SECBINFHSA-N 0 3 222.292 0.465 20 0 BCADHN COC[C@@H](CO)NCc1cnc2ccc(C)cn12 ZINC000279802159 386738104 /nfs/dbraw/zinc/73/81/04/386738104.db2.gz NOXMXKQSCAROCU-LLVKDONJSA-N 0 3 249.314 0.740 20 0 BCADHN COC[C@@H](CO)NCc1ccc2c[nH]nc2c1 ZINC000279811426 386739582 /nfs/dbraw/zinc/73/95/82/386739582.db2.gz OODBWNXCCHJTCV-LLVKDONJSA-N 0 3 235.287 0.660 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1CCCCO ZINC000357077373 386712645 /nfs/dbraw/zinc/71/26/45/386712645.db2.gz XWJQXHNTVSILLW-WDEREUQCSA-N 0 3 200.326 0.783 20 0 BCADHN CO[C@H]1CCN(Cc2cnn(C)c2C)C1 ZINC000268935635 386724223 /nfs/dbraw/zinc/72/42/23/386724223.db2.gz FYHXLTDKBXLGRG-NSHDSACASA-N 0 3 209.293 0.949 20 0 BCADHN Cc1c(CN2CCC(CO)CC2)cnn1C ZINC000268935692 386724786 /nfs/dbraw/zinc/72/47/86/386724786.db2.gz RQWUWKMVHDDLBC-UHFFFAOYSA-N 0 3 223.320 0.933 20 0 BCADHN C[C@H](N[C@@H]1CS[C@H](C)C1)C(=O)NCCF ZINC000639152398 386726240 /nfs/dbraw/zinc/72/62/40/386726240.db2.gz BFRCMZYTOALWJS-VGMNWLOBSA-N 0 3 234.340 0.944 20 0 BCADHN C[C@H](N[C@H]1CS[C@H](C)C1)C(=O)NCCF ZINC000639152395 386726381 /nfs/dbraw/zinc/72/63/81/386726381.db2.gz BFRCMZYTOALWJS-HRDYMLBCSA-N 0 3 234.340 0.944 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1CCCO1 ZINC000335538572 386745127 /nfs/dbraw/zinc/74/51/27/386745127.db2.gz GDIIXAXXIXQBIT-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000269064678 386745897 /nfs/dbraw/zinc/74/58/97/386745897.db2.gz MTQBRNFFSGWNDH-NXEZZACHSA-N 0 3 236.319 0.887 20 0 BCADHN CO[C@H]1CCN(CC(=O)N(C)C)[C@@H](C)C1 ZINC000334148336 386747101 /nfs/dbraw/zinc/74/71/01/386747101.db2.gz FZJQXIOLYXXAHC-UWVGGRQHSA-N 0 3 214.309 0.574 20 0 BCADHN C[C@H](NC[C@H](CO)[C@H]1CCOC1)c1cn[nH]c1 ZINC000330493813 386747915 /nfs/dbraw/zinc/74/79/15/386747915.db2.gz NIPZVPKSMJXQPE-JBLDHEPKSA-N 0 3 239.319 0.705 20 0 BCADHN O=C(CN[C@@H]1CCC[C@H]1OC(F)F)N1CCC1 ZINC000348519712 386748375 /nfs/dbraw/zinc/74/83/75/386748375.db2.gz FQPMAURCNUNGTF-RKDXNWHRSA-N 0 3 248.273 0.969 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(C(=O)OC)n(C)c1 ZINC000269077941 386748514 /nfs/dbraw/zinc/74/85/14/386748514.db2.gz CZOHWUYFGWAKHJ-QMMMGPOBSA-N 0 3 239.275 0.488 20 0 BCADHN C[C@@H](O)CN1CCC[C@H](c2ccnn2C)C1 ZINC000334150039 386748969 /nfs/dbraw/zinc/74/89/69/386748969.db2.gz KAJFGSKMLGKTDY-MNOVXSKESA-N 0 3 223.320 0.980 20 0 BCADHN CCN(C)CCNC(=O)C[C@@H](C)CC(=O)OC ZINC000348528929 386750208 /nfs/dbraw/zinc/75/02/08/386750208.db2.gz CVLLQVBPMBGLHQ-SNVBAGLBSA-N 0 3 244.335 0.644 20 0 BCADHN C[C@@H](N)C(=O)NC(C)(C)C(=O)Nc1ccccc1 ZINC000648065507 386752442 /nfs/dbraw/zinc/75/24/42/386752442.db2.gz GMDBUCNVZRUDGO-SECBINFHSA-N 0 3 249.314 0.867 20 0 BCADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c[nH]cn1 ZINC000357308907 386755637 /nfs/dbraw/zinc/75/56/37/386755637.db2.gz YZKAESIFFGVFMC-ONGXEEELSA-N 0 3 236.319 0.822 20 0 BCADHN CCN(CCn1ccccc1=O)[C@H]1CCOC1 ZINC000643400985 386759343 /nfs/dbraw/zinc/75/93/43/386759343.db2.gz XDMBJEDAAHLSBW-LBPRGKRZSA-N 0 3 236.315 0.959 20 0 BCADHN CC[C@H](O)CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000336663818 386760851 /nfs/dbraw/zinc/76/08/51/386760851.db2.gz CXEPSTXPKMELEG-YUMQZZPRSA-N 0 3 227.226 0.756 20 0 BCADHN CSC[C@H](O)CN(C)[C@@H]1CCOC1 ZINC000336664543 386762230 /nfs/dbraw/zinc/76/22/30/386762230.db2.gz XEMUYFUTRPTXGE-RKDXNWHRSA-N 0 3 205.323 0.431 20 0 BCADHN O[C@H]1CN(CCOC2CCCCCC2)C[C@@H]1O ZINC000408442609 386765541 /nfs/dbraw/zinc/76/55/41/386765541.db2.gz MHBFLAMJXQNHOH-STQMWFEESA-N 0 3 243.347 0.763 20 0 BCADHN CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@@H](C)O ZINC000192438426 386766805 /nfs/dbraw/zinc/76/68/05/386766805.db2.gz VNTCFWJVLRUJEC-MNOVXSKESA-N 0 3 245.367 0.643 20 0 BCADHN CN(CCNC(=O)N(C)C)C[C@@H]1CCCOC1 ZINC000348923479 386767799 /nfs/dbraw/zinc/76/77/99/386767799.db2.gz WRONXCJEGNAWSD-NSHDSACASA-N 0 3 243.351 0.616 20 0 BCADHN CC[C@H](N)C(=O)NCc1cn2cc(C)ccc2n1 ZINC000269253970 386768276 /nfs/dbraw/zinc/76/82/76/386768276.db2.gz QZDWBUFCSBTTMS-NSHDSACASA-N 0 3 246.314 0.996 20 0 BCADHN C[C@H](COc1cccc(F)c1)NC(=O)CN ZINC000269054642 386742396 /nfs/dbraw/zinc/74/23/96/386742396.db2.gz VRJNYPGACZDIJC-MRVPVSSYSA-N 0 3 226.251 0.668 20 0 BCADHN C[C@H](CC(N)=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000269049302 386742789 /nfs/dbraw/zinc/74/27/89/386742789.db2.gz IDQDKKLMKIYSAN-DYLAAIIWSA-N 0 3 234.299 0.498 20 0 BCADHN O=C(Cc1cc[nH]n1)N[C@@H]1CCN(C2CC2)C1 ZINC000344142108 386744140 /nfs/dbraw/zinc/74/41/40/386744140.db2.gz YGODYWNYWXAEHO-SNVBAGLBSA-N 0 3 234.303 0.305 20 0 BCADHN CO[C@](C)(CN[C@H](C)CS(C)(=O)=O)C1CC1 ZINC000336668179 386789714 /nfs/dbraw/zinc/78/97/14/386789714.db2.gz QWRNBMLUPFOPIK-MWLCHTKSSA-N 0 3 249.376 0.824 20 0 BCADHN CC(C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)S(C)(=O)=O ZINC000428076928 386790227 /nfs/dbraw/zinc/79/02/27/386790227.db2.gz CSJNKBRRLZKZDV-MAUMQABQSA-N 0 3 231.317 0.334 20 0 BCADHN Cc1cnc([C@@H](C)NC(=O)[C@H](C)N)s1 ZINC000125314940 386792357 /nfs/dbraw/zinc/79/23/57/386792357.db2.gz DZLUBYOLGHKODS-NKWVEPMBSA-N 0 3 213.306 0.976 20 0 BCADHN COC[C@H](C)CN1CCSC[C@@H]1CO ZINC000639397038 386792938 /nfs/dbraw/zinc/79/29/38/386792938.db2.gz HMEBOFUMUGCAFD-ZJUUUORDSA-N 0 3 219.350 0.679 20 0 BCADHN Cc1nc(C(=O)NC[C@@H]2CCN(C)C2)c(C)o1 ZINC000293250160 386794325 /nfs/dbraw/zinc/79/43/25/386794325.db2.gz DZEJNZPXHWUENR-JTQLQIEISA-N 0 3 237.303 0.973 20 0 BCADHN CCC[C@H](C(=O)NC[C@H]1COCCO1)N(C)C ZINC000330521962 386770654 /nfs/dbraw/zinc/77/06/54/386770654.db2.gz RRMSSFPGQDQDND-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN COC(=O)[C@@H]1CSCCN([C@@H]2CCOC2)C1 ZINC000334637093 386771011 /nfs/dbraw/zinc/77/10/11/386771011.db2.gz KWBDNPDLBQURPP-VHSXEESVSA-N 0 3 245.344 0.613 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)NC[C@@H](C)O ZINC000192444893 386770988 /nfs/dbraw/zinc/77/09/88/386770988.db2.gz OOBFIAPIJDUORF-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN CC[C@H]1CN(Cc2cc(C)ncn2)C[C@H]1O ZINC000293052451 386771068 /nfs/dbraw/zinc/77/10/68/386771068.db2.gz FWSLWLBMEXUXOH-CMPLNLGQSA-N 0 3 221.304 0.988 20 0 BCADHN CC(C)N(C)C[C@H](C)NC(=O)C(=O)NC1CC1 ZINC000357381776 386773204 /nfs/dbraw/zinc/77/32/04/386773204.db2.gz URKFVBIKAVXBFA-VIFPVBQESA-N 0 3 241.335 0.110 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H]1COC(C)(C)C1 ZINC000396552759 386775907 /nfs/dbraw/zinc/77/59/07/386775907.db2.gz TZCZERJMSZFALG-NXEZZACHSA-N 0 3 249.376 0.967 20 0 BCADHN CC[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O ZINC000340806915 386777080 /nfs/dbraw/zinc/77/70/80/386777080.db2.gz WCUSRWCWZIBJHS-QWRGUYRKSA-N 0 3 228.336 0.556 20 0 BCADHN CC[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1O ZINC000340806916 386777311 /nfs/dbraw/zinc/77/73/11/386777311.db2.gz WCUSRWCWZIBJHS-WDEREUQCSA-N 0 3 228.336 0.556 20 0 BCADHN COC(=O)C1(CNC(=O)/C=C\CN(C)C)CC1 ZINC000492687973 533192808 /nfs/dbraw/zinc/19/28/08/533192808.db2.gz IKGKFKFECHXBCI-PLNGDYQASA-N 0 3 240.303 0.174 20 0 BCADHN Cn1nccc1CN1CC[C@](C)(C(N)=O)C1 ZINC000280101862 386778319 /nfs/dbraw/zinc/77/83/19/386778319.db2.gz ANMLJFFUJBGIQY-NSHDSACASA-N 0 3 222.292 0.117 20 0 BCADHN COC1(C(=O)N(C)CCN(C)C)CCOCC1 ZINC000339893919 386778430 /nfs/dbraw/zinc/77/84/30/386778430.db2.gz DDCOGNHEFIWMMM-UHFFFAOYSA-N 0 3 244.335 0.202 20 0 BCADHN CC[C@@H](C(=O)NCCC[C@@H](C)CO)N(C)C ZINC000340415892 386778380 /nfs/dbraw/zinc/77/83/80/386778380.db2.gz YDDXCWIHNHPAOH-MNOVXSKESA-N 0 3 230.352 0.851 20 0 BCADHN CC(C(=O)N[C@@H]1CCC[C@H]1F)S(C)(=O)=O ZINC000340807190 386779922 /nfs/dbraw/zinc/77/99/22/386779922.db2.gz WNSMWFARRHXQBC-BWZBUEFSSA-N 0 3 237.296 0.426 20 0 BCADHN CC[C@H](F)CN[C@H]1CCC(=O)N[C@@H]1C ZINC000336666520 386780599 /nfs/dbraw/zinc/78/05/99/386780599.db2.gz VUXILOQMHDADJD-VGMNWLOBSA-N 0 3 202.273 0.991 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCCN1C)N(C)C1CC1 ZINC000340814219 386780731 /nfs/dbraw/zinc/78/07/31/386780731.db2.gz HJCGZEVSFMLLOW-ZYHUDNBSSA-N 0 3 239.363 0.680 20 0 BCADHN COC1(CNCc2cnn(C)c2)CCOCC1 ZINC000344822366 386781070 /nfs/dbraw/zinc/78/10/70/386781070.db2.gz DEQWGKYOGRIUGO-UHFFFAOYSA-N 0 3 239.319 0.705 20 0 BCADHN CCS(=O)(=O)CCCN[C@H]1COC(C)(C)C1 ZINC000396600202 386783707 /nfs/dbraw/zinc/78/37/07/386783707.db2.gz PIQNJNXJWFEVSP-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN CCCN(C)CC(=O)N(CCO)C1CC1 ZINC000344823821 386784285 /nfs/dbraw/zinc/78/42/85/386784285.db2.gz YGXPXYNXKSCHFL-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN CC(C)[C@H]1C[C@@H]1C(=O)NCCOCCN(C)C ZINC000357458605 386785303 /nfs/dbraw/zinc/78/53/03/386785303.db2.gz KILDDDROVGYOET-NEPJUHHUSA-N 0 3 242.363 0.973 20 0 BCADHN C[C@@H](O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000344870287 386787085 /nfs/dbraw/zinc/78/70/85/386787085.db2.gz SVNPEWUJIVLESO-GMTAPVOTSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1noc(CCCN(C)[C@@H]2COC[C@H]2O)n1 ZINC000330610976 386787708 /nfs/dbraw/zinc/78/77/08/386787708.db2.gz PMEOJHBALOQGGH-NXEZZACHSA-N 0 3 241.291 0.002 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)Cn2cccn2)[C@H]1C ZINC000293433196 386816798 /nfs/dbraw/zinc/81/67/98/386816798.db2.gz OASGMHYTPRPABY-OUAUKWLOSA-N 0 3 209.293 0.584 20 0 BCADHN CCCC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000340981725 386822096 /nfs/dbraw/zinc/82/20/96/386822096.db2.gz RCUGYSUVAAILGW-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000357665450 386823021 /nfs/dbraw/zinc/82/30/21/386823021.db2.gz XDWJGXNKPCPLOC-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](C[C@H](C)O)NC(=O)NC1CCN(C)CC1 ZINC000341029777 386823676 /nfs/dbraw/zinc/82/36/76/386823676.db2.gz BTIBGTANLHFHJC-ZJUUUORDSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCSC1)c1ccnn1C ZINC000192927236 386797009 /nfs/dbraw/zinc/79/70/09/386797009.db2.gz DVWVJTNVSCFPFM-KOLCDFICSA-N 0 3 241.360 0.939 20 0 BCADHN CSC[C@H](O)CN1CCC[C@@](O)(C(N)=O)C1 ZINC000330578241 386797469 /nfs/dbraw/zinc/79/74/69/386797469.db2.gz SGPDGOVRYAJSJC-SCZZXKLOSA-N 0 3 248.348 0.072 20 0 BCADHN C[C@@H](O)C[C@@H](C)NC(=O)NC1CCN(C)CC1 ZINC000341029742 386824078 /nfs/dbraw/zinc/82/40/78/386824078.db2.gz BTIBGTANLHFHJC-NXEZZACHSA-N 0 3 243.351 0.539 20 0 BCADHN Cn1cc(CNC[C@@](C)(O)C2CC2)cn1 ZINC000336672866 386824050 /nfs/dbraw/zinc/82/40/50/386824050.db2.gz GPVFQCGWWCOWEF-LLVKDONJSA-N 0 3 209.293 0.671 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H](CO)C1CCCC1 ZINC000336744100 386799252 /nfs/dbraw/zinc/79/92/52/386799252.db2.gz PUVQBPTYFWTYTD-MWLCHTKSSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)C1CCOCC1 ZINC000344911484 386801737 /nfs/dbraw/zinc/80/17/37/386801737.db2.gz XIXYVXULSFRASE-JTQLQIEISA-N 0 3 243.351 0.757 20 0 BCADHN CNC(=O)CCN1CCN(C)C(C)(C)C1 ZINC000571175953 386802138 /nfs/dbraw/zinc/80/21/38/386802138.db2.gz PGTTVMUOLJCHGV-UHFFFAOYSA-N 0 3 213.325 0.149 20 0 BCADHN CC[C@H]1CN(C)CCN1CC[C@@H]1CCNC1=O ZINC000571175961 386802174 /nfs/dbraw/zinc/80/21/74/386802174.db2.gz PKAUTRIQORUOGI-RYUDHWBXSA-N 0 3 239.363 0.539 20 0 BCADHN CN(CCO)C[C@@H](O)COCc1cccs1 ZINC000192945556 386803931 /nfs/dbraw/zinc/80/39/31/386803931.db2.gz LOCYVIWSLKYUIS-SNVBAGLBSA-N 0 3 245.344 0.550 20 0 BCADHN CCSCCN[C@@H](C)C(=O)NCCF ZINC000336670016 386804933 /nfs/dbraw/zinc/80/49/33/386804933.db2.gz YBTCDFHRBDKDQJ-QMMMGPOBSA-N 0 3 222.329 0.803 20 0 BCADHN CC(C)[C@@](C)(CO)NCC(=O)N(C)CC1CC1 ZINC000352872940 386806934 /nfs/dbraw/zinc/80/69/34/386806934.db2.gz RVHGQAPHGSBIBP-CYBMUJFWSA-N 0 3 242.363 0.851 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)[nH]n1 ZINC000329846845 386807874 /nfs/dbraw/zinc/80/78/74/386807874.db2.gz QWUYJDKLXGUUMQ-QPUJVOFHSA-N 0 3 248.330 0.931 20 0 BCADHN CO[C@@H]1CN(CCOc2ccccc2)C[C@H]1O ZINC000395302409 386808639 /nfs/dbraw/zinc/80/86/39/386808639.db2.gz KVTCOJQBMBELKU-CHWSQXEVSA-N 0 3 237.299 0.757 20 0 BCADHN CCCCNC(=O)CN1CC[C@@H](C)[C@H]1CO ZINC000248993321 386809605 /nfs/dbraw/zinc/80/96/05/386809605.db2.gz XLPMGHRDQPYLMJ-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](N[C@H]1CCc2nc(C)nn2C1)C(N)=O ZINC000330648497 386810877 /nfs/dbraw/zinc/81/08/77/386810877.db2.gz HWQPIAZLOPBGOC-IUCAKERBSA-N 0 3 237.307 0.805 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H]1CC[C@@H](OC)C1 ZINC000249013209 386813079 /nfs/dbraw/zinc/81/30/79/386813079.db2.gz IYFRTVHHYQEIMM-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN Cc1cnc(CNCCCC(=O)N(C)C)n1C ZINC000341004986 386814086 /nfs/dbraw/zinc/81/40/86/386814086.db2.gz ANJFRNVIQXUCHY-UHFFFAOYSA-N 0 3 238.335 0.687 20 0 BCADHN CO[C@@H]1CN(CCc2ccccn2)C[C@H]1O ZINC000395399006 386829357 /nfs/dbraw/zinc/82/93/57/386829357.db2.gz ZSZKJDWIFBZYIK-VXGBXAGGSA-N 0 3 222.288 0.316 20 0 BCADHN Cc1cnccc1CN1C[C@H](O)C[C@]1(C)CO ZINC000639849257 386853403 /nfs/dbraw/zinc/85/34/03/386853403.db2.gz SZMQJQXZRZGBKT-CHWSQXEVSA-N 0 3 236.315 0.708 20 0 BCADHN CCN(C)CCNC(=O)C1(COC)CCC1 ZINC000339949802 386834506 /nfs/dbraw/zinc/83/45/06/386834506.db2.gz AITBWHVAIIUJLA-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Cc1cncnc1 ZINC000330672317 386853343 /nfs/dbraw/zinc/85/33/43/386853343.db2.gz GHVQMZKAJFTCFT-VIFPVBQESA-N 0 3 222.292 0.085 20 0 BCADHN CC[C@H](O)CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000330677083 386853428 /nfs/dbraw/zinc/85/34/28/386853428.db2.gz UTKAKHRUFITYES-MXWKQRLJSA-N 0 3 228.336 0.746 20 0 BCADHN CS[C@H]1CC[C@H]1NCC(=O)NCC1CC1 ZINC000425339733 386838518 /nfs/dbraw/zinc/83/85/18/386838518.db2.gz CWMXCMQQRSPOIU-ZJUUUORDSA-N 0 3 228.361 0.996 20 0 BCADHN CNS(=O)(=O)CCN[C@H]1CC[C@H]1SC ZINC000425338770 386838699 /nfs/dbraw/zinc/83/86/99/386838699.db2.gz QEPHLQPBJZEMJW-JGVFFNPUSA-N 0 3 238.378 0.019 20 0 BCADHN CNS(=O)(=O)CCN[C@H]1CC[C@@H]1SC ZINC000425338772 386840957 /nfs/dbraw/zinc/84/09/57/386840957.db2.gz QEPHLQPBJZEMJW-YUMQZZPRSA-N 0 3 238.378 0.019 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCc1ccccn1 ZINC000645184763 386847024 /nfs/dbraw/zinc/84/70/24/386847024.db2.gz DLPMZUUOVBDGOD-JTQLQIEISA-N 0 3 219.288 0.696 20 0 BCADHN CC[C@@H](CO)N(C)CCn1c(C)csc1=O ZINC000293619749 386847682 /nfs/dbraw/zinc/84/76/82/386847682.db2.gz DLMFUTZAFGAUFX-JTQLQIEISA-N 0 3 244.360 0.921 20 0 BCADHN Cc1ccc(CN2C[C@H](O)C[C@]2(C)CO)cn1 ZINC000639848740 386848089 /nfs/dbraw/zinc/84/80/89/386848089.db2.gz OMYHSCALJSGQQD-CHWSQXEVSA-N 0 3 236.315 0.708 20 0 BCADHN CS[C@@H]1CC[C@H]1NCC(=O)NC(C)C ZINC000425334355 386849045 /nfs/dbraw/zinc/84/90/45/386849045.db2.gz DNHAPKMUWMNOFK-RKDXNWHRSA-N 0 3 216.350 0.995 20 0 BCADHN C[C@@H](O)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000331403741 386849154 /nfs/dbraw/zinc/84/91/54/386849154.db2.gz AOOUBYGWMBCSGU-MWLCHTKSSA-N 0 3 226.320 0.500 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ncncc1Cl ZINC000330671976 386850430 /nfs/dbraw/zinc/85/04/30/386850430.db2.gz FTGLRODVFPAFPQ-ZETCQYMHSA-N 0 3 242.710 0.810 20 0 BCADHN Cc1cnn(C)c1CNCCC[S@@](C)=O ZINC000336744429 386855147 /nfs/dbraw/zinc/85/51/47/386855147.db2.gz ZJHRZXJNFKSSJE-OAHLLOKOSA-N 0 3 229.349 0.587 20 0 BCADHN C[C@@H](Cc1cnccn1)NCc1cnn(C)c1 ZINC000340435657 386856431 /nfs/dbraw/zinc/85/64/31/386856431.db2.gz UXVVBOYRDOHEPS-JTQLQIEISA-N 0 3 231.303 0.931 20 0 BCADHN CCOCCNC(=O)CN[C@](C)(CO)C(C)C ZINC000352882246 386859341 /nfs/dbraw/zinc/85/93/41/386859341.db2.gz LBLIXRKGIIRDER-GFCCVEGCSA-N 0 3 246.351 0.136 20 0 BCADHN CCC1(C)CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000335742424 386859658 /nfs/dbraw/zinc/85/96/58/386859658.db2.gz MJIISJLUUPSYHE-QMMMGPOBSA-N 0 3 233.333 0.678 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC000330707190 386860143 /nfs/dbraw/zinc/86/01/43/386860143.db2.gz MJEJEEXAYZPDSZ-LLVKDONJSA-N 0 3 236.319 0.505 20 0 BCADHN CN(CCn1cncn1)C[C@@H]1CCCC[C@@H]1O ZINC000330710375 386860162 /nfs/dbraw/zinc/86/01/62/386860162.db2.gz PBIDJFXGASRNIR-RYUDHWBXSA-N 0 3 238.335 0.761 20 0 BCADHN Cn1cncc1CNC[C@@H](CO)C1CC1 ZINC000336744309 386861312 /nfs/dbraw/zinc/86/13/12/386861312.db2.gz ZCKZJRANWPGRSM-JTQLQIEISA-N 0 3 209.293 0.528 20 0 BCADHN CN(CCn1cncn1)C[C@H]1CCCC[C@@H]1O ZINC000330710371 386861379 /nfs/dbraw/zinc/86/13/79/386861379.db2.gz PBIDJFXGASRNIR-NEPJUHHUSA-N 0 3 238.335 0.761 20 0 BCADHN C[C@H](CO)CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341193054 386861604 /nfs/dbraw/zinc/86/16/04/386861604.db2.gz GXTADIURPALTLW-AXFHLTTASA-N 0 3 243.351 0.397 20 0 BCADHN C[C@H](C[C@H](C)O)NC(=O)NCCN(C)C1CC1 ZINC000341201288 386862011 /nfs/dbraw/zinc/86/20/11/386862011.db2.gz MLWQIRAXBBKULL-ZJUUUORDSA-N 0 3 243.351 0.539 20 0 BCADHN COc1cc(C(=O)NCCN(C)C2CC2)on1 ZINC000331509971 386863078 /nfs/dbraw/zinc/86/30/78/386863078.db2.gz RYGGKXJZDZLYMQ-UHFFFAOYSA-N 0 3 239.275 0.507 20 0 BCADHN CO[C@H](C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357940800 386868327 /nfs/dbraw/zinc/86/83/27/386868327.db2.gz AHJYODPMOQTANI-VHSXEESVSA-N 0 3 226.320 0.788 20 0 BCADHN Cc1nnsc1CNC(=O)/C=C/CN(C)C ZINC000293737977 386868639 /nfs/dbraw/zinc/86/86/39/386868639.db2.gz QYYLOPWVWZZEKY-SNAWJCMRSA-N 0 3 240.332 0.581 20 0 BCADHN CN1CCC(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000357933934 386869286 /nfs/dbraw/zinc/86/92/86/386869286.db2.gz RTCQSGCLCOFJFY-URLYPYJESA-N 0 3 224.304 0.089 20 0 BCADHN CC(C)Cn1cc(CN[C@H](C)CC(N)=O)cn1 ZINC000341271939 386871814 /nfs/dbraw/zinc/87/18/14/386871814.db2.gz GJIMDBPMZOSQPI-SNVBAGLBSA-N 0 3 238.335 0.893 20 0 BCADHN C[C@@H](O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000335748595 386872768 /nfs/dbraw/zinc/87/27/68/386872768.db2.gz AOBLFGJPVUQFOE-NXEZZACHSA-N 0 3 228.336 0.556 20 0 BCADHN CCN(CCO)CCNCc1ncc(C)n1C ZINC000341267160 386873401 /nfs/dbraw/zinc/87/34/01/386873401.db2.gz XQOJLNFJPUFYDK-UHFFFAOYSA-N 0 3 240.351 0.132 20 0 BCADHN Cc1ccnc(C(=O)N2CCC[C@H]2CN(C)C)n1 ZINC000349548002 386873512 /nfs/dbraw/zinc/87/35/12/386873512.db2.gz UCAHTTDOGIRUTO-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CCOC[C@H]1CCN(CC(=O)N2CCC2)C1 ZINC000357967584 386874827 /nfs/dbraw/zinc/87/48/27/386874827.db2.gz WFWZSFLSAJFQRO-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN CN(C)CCN(C)c1nccc(N(C)C)n1 ZINC000301786468 386877091 /nfs/dbraw/zinc/87/70/91/386877091.db2.gz VHJLELXZRTYRTL-UHFFFAOYSA-N 0 3 223.324 0.540 20 0 BCADHN COCCO[C@H]1CCN(C[C@H](C)OC)C1 ZINC000487904394 533198914 /nfs/dbraw/zinc/19/89/14/533198914.db2.gz DTSGVFZMOXXZHA-QWRGUYRKSA-N 0 3 217.309 0.759 20 0 BCADHN C[C@@H](C(=O)NC[C@@]1(O)CCN(C)C1)C(C)(C)C ZINC000358053918 386885451 /nfs/dbraw/zinc/88/54/51/386885451.db2.gz WQFXFKLUWKAUEH-GWCFXTLKSA-N 0 3 242.363 0.851 20 0 BCADHN CSCCCC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358050205 386886055 /nfs/dbraw/zinc/88/60/55/386886055.db2.gz PMQJCAUOBDQLST-NSHDSACASA-N 0 3 246.376 0.312 20 0 BCADHN Cc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cn1 ZINC000358058160 386886205 /nfs/dbraw/zinc/88/62/05/386886205.db2.gz CKJPVRXHUCJEHV-ZDUSSCGKSA-N 0 3 249.314 0.186 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000330733901 386886839 /nfs/dbraw/zinc/88/68/39/386886839.db2.gz KKRSOLDIVTYMSW-SDDRHHMPSA-N 0 3 242.363 0.992 20 0 BCADHN C[C@@H](O)CN(C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331744067 386888224 /nfs/dbraw/zinc/88/82/24/386888224.db2.gz CBEWSIGPCUYPKO-ZJUUUORDSA-N 0 3 241.335 0.245 20 0 BCADHN CC[C@]1(C)C[C@@H]1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358075460 386889414 /nfs/dbraw/zinc/88/94/14/386889414.db2.gz SYTVMTJXHCXJET-RAIGVLPGSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H](CO)N(C)C(=O)NCCN(C)C1CC1 ZINC000331746837 386890601 /nfs/dbraw/zinc/89/06/01/386890601.db2.gz IINKJTHJHVLKCX-SECBINFHSA-N 0 3 229.324 0.103 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)NCCN(C)C1CC1 ZINC000331828794 386914743 /nfs/dbraw/zinc/91/47/43/386914743.db2.gz ZVNZSLKWHGTLAM-GFCCVEGCSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](NC[C@]1(O)CCN(C)C1)c1ccccn1 ZINC000358226328 386915791 /nfs/dbraw/zinc/91/57/91/386915791.db2.gz DHXOEJSBVMDHCC-WCQYABFASA-N 0 3 235.331 0.799 20 0 BCADHN CC(C)[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000331845070 386916679 /nfs/dbraw/zinc/91/66/79/386916679.db2.gz GOYRQSKXENESMU-DMDPSCGWSA-N 0 3 240.347 0.461 20 0 BCADHN CC(C)(O)CCN1CCC[C@@](F)(CO)C1 ZINC000367863962 386916651 /nfs/dbraw/zinc/91/66/51/386916651.db2.gz HLDZJEXWCBKPSP-NSHDSACASA-N 0 3 219.300 0.944 20 0 BCADHN COC[C@H](CNC(=O)CN(C)C(C)C)OC ZINC000358230350 386917756 /nfs/dbraw/zinc/91/77/56/386917756.db2.gz NLLFTUXRRMREIP-JTQLQIEISA-N 0 3 232.324 0.104 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@H]1CCC(=O)N(C)C1=O ZINC000425355519 386918487 /nfs/dbraw/zinc/91/84/87/386918487.db2.gz MFTBAWKSBHYRJM-XHNCKOQMSA-N 0 3 242.344 0.617 20 0 BCADHN CC(C)c1nc2n(n1)C[C@H](NC1COC1)CC2 ZINC000367908463 386919237 /nfs/dbraw/zinc/91/92/37/386919237.db2.gz BPCGWNOMPBRBCT-SECBINFHSA-N 0 3 236.319 0.705 20 0 BCADHN C[C@H]1[C@H](Nc2nccc(CO)n2)CCCN1C ZINC000341568784 386919342 /nfs/dbraw/zinc/91/93/42/386919342.db2.gz RRBRGMJMTBWNHF-GXSJLCMTSA-N 0 3 236.319 0.864 20 0 BCADHN CCn1nncc1CN[C@H]1CCCN(C)[C@H]1C ZINC000418011270 386896674 /nfs/dbraw/zinc/89/66/74/386896674.db2.gz USASOVQZLQUVFR-JQWIXIFHSA-N 0 3 237.351 0.870 20 0 BCADHN CC(C)[C@H](CO)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331768596 386897376 /nfs/dbraw/zinc/89/73/76/386897376.db2.gz MMEIQSDSPVUZGX-JQWIXIFHSA-N 0 3 240.347 0.604 20 0 BCADHN Cn1ccc(CN2CCC[C@H](c3nc[nH]n3)C2)n1 ZINC000331771442 386899096 /nfs/dbraw/zinc/89/90/96/386899096.db2.gz DFLLEDIYLBACHS-JTQLQIEISA-N 0 3 246.318 0.918 20 0 BCADHN CN(CC(=O)NC(N)=O)C[C@@H]1CC=CCC1 ZINC000330837234 386901612 /nfs/dbraw/zinc/90/16/12/386901612.db2.gz KZWUZSXUGUJJQA-SECBINFHSA-N 0 3 225.292 0.883 20 0 BCADHN C[C@H](O)CCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331777367 386902602 /nfs/dbraw/zinc/90/26/02/386902602.db2.gz ORKZQKUMLVRIMG-VHSXEESVSA-N 0 3 241.335 0.293 20 0 BCADHN CCOCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331784759 386904524 /nfs/dbraw/zinc/90/45/24/386904524.db2.gz QSIKTKLQAJJZCV-JTQLQIEISA-N 0 3 241.335 0.559 20 0 BCADHN CC(C)N1CC[C@@H](N[C@H]2CN(C)C[C@H]2C)C1=O ZINC000358167120 386905069 /nfs/dbraw/zinc/90/50/69/386905069.db2.gz YJTAJUOUILUYCE-UTUOFQBUSA-N 0 3 239.363 0.535 20 0 BCADHN C[C@H](NC[C@]1(O)CCN(C)C1)c1nccn1C ZINC000330870331 386906177 /nfs/dbraw/zinc/90/61/77/386906177.db2.gz FMYPGLPMNJPUAO-CMPLNLGQSA-N 0 3 238.335 0.137 20 0 BCADHN CCOc1cncc(N2CC(N(C)C)C2)n1 ZINC000302160470 386909054 /nfs/dbraw/zinc/90/90/54/386909054.db2.gz YDECVEMXDZJVSL-UHFFFAOYSA-N 0 3 222.292 0.626 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000330913090 386921054 /nfs/dbraw/zinc/92/10/54/386921054.db2.gz HGCISGGHNDUSHT-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CCC[C@]1(CO)CCCN1CC(=O)NC1CC1 ZINC000331897541 386921222 /nfs/dbraw/zinc/92/12/22/386921222.db2.gz NDDRCTQLEVNUFQ-CYBMUJFWSA-N 0 3 240.347 0.892 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H]1CCC[C@H]1O ZINC000330913091 386921723 /nfs/dbraw/zinc/92/17/23/386921723.db2.gz HGCISGGHNDUSHT-WDEREUQCSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1cnn([C@H]2CCN(CCCO)C2)c1 ZINC000367977427 386923041 /nfs/dbraw/zinc/92/30/41/386923041.db2.gz PPXYEGHPHOYVCA-NSHDSACASA-N 0 3 209.293 0.821 20 0 BCADHN COC(=O)[C@H](C)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000330899439 386924240 /nfs/dbraw/zinc/92/42/40/386924240.db2.gz IYYMOKWMFVRKTR-AEJSXWLSSA-N 0 3 242.319 0.537 20 0 BCADHN CN(CCN1C(=O)CNC1=O)C1CC(C)(C)C1 ZINC000331932020 386925865 /nfs/dbraw/zinc/92/58/65/386925865.db2.gz GESPSWYWDFQFHZ-UHFFFAOYSA-N 0 3 239.319 0.659 20 0 BCADHN O=C1NCCN1CCN1CCC[C@H]2COC[C@H]21 ZINC000367988915 386926384 /nfs/dbraw/zinc/92/63/84/386926384.db2.gz NHGLVXNBGGNULW-WDEREUQCSA-N 0 3 239.319 0.122 20 0 BCADHN Cc1c([C@@H](C)NC(=O)[C@@H]2C[C@@H]2N)cnn1C ZINC000331927435 386926413 /nfs/dbraw/zinc/92/64/13/386926413.db2.gz QJPNZLUARNQHNB-YNEQXMIYSA-N 0 3 222.292 0.253 20 0 BCADHN CC[C@](C)(CNC(=O)N1CCCNCC1)OC ZINC000331932534 386927032 /nfs/dbraw/zinc/92/70/32/386927032.db2.gz HSGNESKWEMUVNC-GFCCVEGCSA-N 0 3 243.351 0.806 20 0 BCADHN CCN(CCNC(=O)[C@@](C)(O)C1CC1)C1CC1 ZINC000341586740 386927639 /nfs/dbraw/zinc/92/76/39/386927639.db2.gz BWICLRLIDKHYEV-ZDUSSCGKSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1C[C@@H](CO)CN(C[C@@H](O)C(F)(F)F)C1 ZINC000398635825 386929678 /nfs/dbraw/zinc/92/96/78/386929678.db2.gz SJPFDMFHPNSXDE-IWSPIJDZSA-N 0 3 241.253 0.860 20 0 BCADHN C[C@@H]1C[C@H](CO)CN(C[C@@H](O)C(F)(F)F)C1 ZINC000398635823 386930182 /nfs/dbraw/zinc/93/01/82/386930182.db2.gz SJPFDMFHPNSXDE-HRDYMLBCSA-N 0 3 241.253 0.860 20 0 BCADHN COCCn1cc(CNCc2[nH]ncc2C)cn1 ZINC000352894387 386931043 /nfs/dbraw/zinc/93/10/43/386931043.db2.gz MRCBOHBHMHVXOH-UHFFFAOYSA-N 0 3 249.318 0.851 20 0 BCADHN Cc1csc(CNC[C@]2(O)CCN(C)C2)n1 ZINC000336762358 386931665 /nfs/dbraw/zinc/93/16/65/386931665.db2.gz LFGFLYRZKPKPQF-LLVKDONJSA-N 0 3 241.360 0.608 20 0 BCADHN C[C@H](N)C(=O)Nc1cnn(-c2ncccc2F)c1 ZINC000368035862 386932957 /nfs/dbraw/zinc/93/29/57/386932957.db2.gz PLJFVNWLNYXEBK-ZETCQYMHSA-N 0 3 249.249 0.692 20 0 BCADHN CCC1(C(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000331969473 386932909 /nfs/dbraw/zinc/93/29/09/386932909.db2.gz WEFZTKQMBDMZMR-LBPRGKRZSA-N 0 3 226.320 0.359 20 0 BCADHN CCN(CC)C(=O)CN[C@H]1CCC[C@@]1(C)CO ZINC000330967873 386933002 /nfs/dbraw/zinc/93/30/02/386933002.db2.gz AGUWTUPQYFGFLR-AAEUAGOBSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](N)C(=O)Nc1cnn(-c2ncccc2F)c1 ZINC000368035861 386933151 /nfs/dbraw/zinc/93/31/51/386933151.db2.gz PLJFVNWLNYXEBK-SSDOTTSWSA-N 0 3 249.249 0.692 20 0 BCADHN CC(C)[C@]1(CO)CCN(CC(=O)N(C)C)C1 ZINC000368055097 386934356 /nfs/dbraw/zinc/93/43/56/386934356.db2.gz GWNGTEWKWRNAJN-GFCCVEGCSA-N 0 3 228.336 0.415 20 0 BCADHN CC(C)CS(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000335834120 386934690 /nfs/dbraw/zinc/93/46/90/386934690.db2.gz FGRGOFNENVTAKW-PHIMTYICSA-N 0 3 246.376 0.466 20 0 BCADHN C[C@@H]1OCC[C@H]1N(CCO)CCC1(O)CCC1 ZINC000331977720 386934805 /nfs/dbraw/zinc/93/48/05/386934805.db2.gz MOSMCIHGADEEAU-NWDGAFQWSA-N 0 3 243.347 0.763 20 0 BCADHN Cc1cncc(CN2CC[C@H]3C(=O)NC[C@@H]3C2)c1 ZINC000368065718 386936905 /nfs/dbraw/zinc/93/69/05/386936905.db2.gz UUESFRDHABNOSH-CHWSQXEVSA-N 0 3 245.326 0.958 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)[nH]n1 ZINC000368175288 386948008 /nfs/dbraw/zinc/94/80/08/386948008.db2.gz AFMWNIMNJNITJY-YUMQZZPRSA-N 0 3 226.255 0.148 20 0 BCADHN CO[C@@H]1C[C@H](NC[C@@H](C)S(C)(=O)=O)C1(C)C ZINC000332064628 386953218 /nfs/dbraw/zinc/95/32/18/386953218.db2.gz RDQBVDPHTRSGAJ-KXUCPTDWSA-N 0 3 249.376 0.823 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2cncn2C)C1 ZINC000334823546 386953670 /nfs/dbraw/zinc/95/36/70/386953670.db2.gz JEEBTJSKQLNNTG-SECBINFHSA-N 0 3 222.292 0.244 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H](CO)c1ccsc1 ZINC000336763289 386954664 /nfs/dbraw/zinc/95/46/64/386954664.db2.gz OYBMGGRDKLSZAB-CBAPKCEASA-N 0 3 228.317 0.635 20 0 BCADHN C[C@H](Cn1c(=O)onc1-c1cnccn1)N(C)C ZINC000331083114 386956509 /nfs/dbraw/zinc/95/65/09/386956509.db2.gz MWBUXVXLMMHTIE-MRVPVSSYSA-N 0 3 249.274 0.243 20 0 BCADHN CC(C(=O)N1C[C@@H](C)[C@H]1C)S(C)(=O)=O ZINC000332074560 386956883 /nfs/dbraw/zinc/95/68/83/386956883.db2.gz XTDIMQPDKRUFOM-PRJMDXOYSA-N 0 3 219.306 0.286 20 0 BCADHN CC(C(=O)N1C[C@@H](C)[C@@H]1C)S(C)(=O)=O ZINC000332074559 386957823 /nfs/dbraw/zinc/95/78/23/386957823.db2.gz XTDIMQPDKRUFOM-GJMOJQLCSA-N 0 3 219.306 0.286 20 0 BCADHN CCCCN(C)CCNC(=O)N1CC(CO)C1 ZINC000358445475 386958814 /nfs/dbraw/zinc/95/88/14/386958814.db2.gz NMPGZZLSRVEQDO-UHFFFAOYSA-N 0 3 243.351 0.352 20 0 BCADHN C[C@@H]1C[C@@]2(C[C@H]2C(=O)NCCN(C)C)CCO1 ZINC000368310569 386958945 /nfs/dbraw/zinc/95/89/45/386958945.db2.gz PPMNOYSXHNFSEQ-NTZNESFSSA-N 0 3 240.347 0.869 20 0 BCADHN CCOCCCC(=O)N1CCCN(C)CC1 ZINC000368747732 387007314 /nfs/dbraw/zinc/00/73/14/387007314.db2.gz KIPMGARIGABODD-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN CCN(CC)[C@H](C)CNS(=O)(=O)N1CCC1 ZINC000332079563 386959712 /nfs/dbraw/zinc/95/97/12/386959712.db2.gz YVCSEZPIQDYYTF-SNVBAGLBSA-N 0 3 249.380 0.257 20 0 BCADHN CC(C)[C@H](CO)C(=O)NCCN1CCCCC1 ZINC000331099380 386961797 /nfs/dbraw/zinc/96/17/97/386961797.db2.gz CEEGKMIGSKNHSR-LBPRGKRZSA-N 0 3 242.363 0.853 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1C[C@H](O)C[C@H]1C ZINC000358492489 386963846 /nfs/dbraw/zinc/96/38/46/386963846.db2.gz GCOSXMVIAYHVBF-OPRDCNLKSA-N 0 3 229.324 0.101 20 0 BCADHN CCC[C@H](N)C(=O)N1CCc2nc(C)ncc2C1 ZINC000645502469 387007479 /nfs/dbraw/zinc/00/74/79/387007479.db2.gz ZBZFFEKQTSOKTF-NSHDSACASA-N 0 3 248.330 0.797 20 0 BCADHN CC[C@@H](C)C(=O)NC[C@H]1CCCCN1CCO ZINC000331287802 387007488 /nfs/dbraw/zinc/00/74/88/387007488.db2.gz ALJNIXVMDZFCLT-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1N ZINC000332165968 386965199 /nfs/dbraw/zinc/96/51/99/386965199.db2.gz SDRZEIOIARZLGW-WYUUTHIRSA-N 0 3 240.347 0.901 20 0 BCADHN CC[C@H](O)CCCNC(=O)N[C@@H](C)CN(C)C ZINC000358501005 386965824 /nfs/dbraw/zinc/96/58/24/386965824.db2.gz MYFDCFKWPKMWCB-QWRGUYRKSA-N 0 3 245.367 0.787 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000352916306 386966531 /nfs/dbraw/zinc/96/65/31/386966531.db2.gz QNFSPHVDWIWUSM-GARJFASQSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCC1(O)CCCC1 ZINC000358501763 386966604 /nfs/dbraw/zinc/96/66/04/386966604.db2.gz OACMDDKYLXEPGS-SNVBAGLBSA-N 0 3 243.351 0.541 20 0 BCADHN CC(C)[C@](C)(O)CNC(=O)N[C@H](C)CN(C)C ZINC000358509663 386968249 /nfs/dbraw/zinc/96/82/49/386968249.db2.gz WHRVRHZMKAWRDW-ZYHUDNBSSA-N 0 3 245.367 0.643 20 0 BCADHN CC[C@@H](C(=O)N1CCN(CC)C[C@@H]1C)N(C)C ZINC000341826331 386968685 /nfs/dbraw/zinc/96/86/85/386968685.db2.gz RZSDEJLIWSQCGW-RYUDHWBXSA-N 0 3 241.379 0.879 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@H](O)C1CC1 ZINC000358505928 386969727 /nfs/dbraw/zinc/96/97/27/386969727.db2.gz SUDXNARCFJMXQC-SCZZXKLOSA-N 0 3 229.324 0.007 20 0 BCADHN COC[C@@H](C)N(C)C(=O)N[C@H](C)CN(C)C ZINC000358509853 386969888 /nfs/dbraw/zinc/96/98/88/386969888.db2.gz WMBGFZYIJKSCIE-NXEZZACHSA-N 0 3 231.340 0.613 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCCOCC1CC1 ZINC000352929892 386970262 /nfs/dbraw/zinc/97/02/62/386970262.db2.gz IVOAKWRUAUZSBU-SNVBAGLBSA-N 0 3 243.351 0.662 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)CC1(O)CCC1 ZINC000358518382 386970943 /nfs/dbraw/zinc/97/09/43/386970943.db2.gz DWAAWLXRYAJSQQ-JTQLQIEISA-N 0 3 243.351 0.493 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000358513048 386971090 /nfs/dbraw/zinc/97/10/90/386971090.db2.gz YWRBGQPYSWNXRI-GMTAPVOTSA-N 0 3 243.351 0.349 20 0 BCADHN CN(CCN1CCCC1)C(=O)Cc1cc[nH]n1 ZINC000332302721 386971612 /nfs/dbraw/zinc/97/16/12/386971612.db2.gz JQLDZNJBLNEIDD-UHFFFAOYSA-N 0 3 236.319 0.506 20 0 BCADHN CCOC[C@@H](C)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332339621 386972615 /nfs/dbraw/zinc/97/26/15/386972615.db2.gz DSLWNMYGJRJYTO-OUAUKWLOSA-N 0 3 240.307 0.233 20 0 BCADHN CC[C@H](O)CCCNC(=O)C(N)C(F)(F)F ZINC000352957095 386972869 /nfs/dbraw/zinc/97/28/69/386972869.db2.gz MFEJONMAJCPQHP-BQBZGAKWSA-N 0 3 242.241 0.543 20 0 BCADHN CCC[C@@](C)(CO)NC(=O)N[C@H](C)CN(C)C ZINC000358525614 386973107 /nfs/dbraw/zinc/97/31/07/386973107.db2.gz XBGYRYMTGMWPCH-PWSUYJOCSA-N 0 3 245.367 0.787 20 0 BCADHN COC1(C)CN(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000358525422 386973489 /nfs/dbraw/zinc/97/34/89/386973489.db2.gz OEOFDSDMFMVPIB-VIFPVBQESA-N 0 3 229.324 0.367 20 0 BCADHN COC(=O)CCNC(=O)CN(C)[C@@H](C)C(C)C ZINC000341811854 386973526 /nfs/dbraw/zinc/97/35/26/386973526.db2.gz WLGSLCTUXRQIOG-JTQLQIEISA-N 0 3 244.335 0.642 20 0 BCADHN CC1(C)CN(CCCO)C[C@]2(CCOC2)O1 ZINC000368447151 386973684 /nfs/dbraw/zinc/97/36/84/386973684.db2.gz PTZOVMKHDDHJJM-LBPRGKRZSA-N 0 3 229.320 0.639 20 0 BCADHN CC[C@H](CO)NC(=O)N[C@H](C)CN(C)C ZINC000358523648 386973842 /nfs/dbraw/zinc/97/38/42/386973842.db2.gz SSPLKWGXVPHOAG-RKDXNWHRSA-N 0 3 217.313 0.007 20 0 BCADHN CCCCN(C)CCNC(=O)[C@](C)(O)C1CC1 ZINC000341810926 386973926 /nfs/dbraw/zinc/97/39/26/386973926.db2.gz VOOKCPHVJQMMRQ-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN COC1(C)CN(C(=O)N[C@H](C)CN(C)C)C1 ZINC000358525421 386973933 /nfs/dbraw/zinc/97/39/33/386973933.db2.gz OEOFDSDMFMVPIB-SECBINFHSA-N 0 3 229.324 0.367 20 0 BCADHN CC[C@](C)(CCO)NC(=O)N[C@H](C)CN(C)C ZINC000358531524 386974385 /nfs/dbraw/zinc/97/43/85/386974385.db2.gz SRZVXDHXPRSCJY-ZYHUDNBSSA-N 0 3 245.367 0.787 20 0 BCADHN Cc1c[nH]nc1CNC[C@H](CO)[C@@H]1CCOC1 ZINC000352951663 386974397 /nfs/dbraw/zinc/97/43/97/386974397.db2.gz VDSUBBCOXNXFNE-GHMZBOCLSA-N 0 3 239.319 0.453 20 0 BCADHN C[C@]1(CNC(=O)C(N)C(F)(F)F)CCCO1 ZINC000352948523 386974535 /nfs/dbraw/zinc/97/45/35/386974535.db2.gz DVEJCZFEDNSWCN-POYBYMJQSA-N 0 3 240.225 0.561 20 0 BCADHN CC[C@](C)(O)C[N@@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000332415059 386976044 /nfs/dbraw/zinc/97/60/44/386976044.db2.gz PWRCMHZQFAPQEU-KOLCDFICSA-N 0 3 224.308 0.755 20 0 BCADHN CC[C@](C)(O)C[N@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000332415059 386976046 /nfs/dbraw/zinc/97/60/46/386976046.db2.gz PWRCMHZQFAPQEU-KOLCDFICSA-N 0 3 224.308 0.755 20 0 BCADHN CCCCN(C)CCNC(=O)c1cncnc1 ZINC000341836069 386976403 /nfs/dbraw/zinc/97/64/03/386976403.db2.gz LHBKFWOGHYFDOG-UHFFFAOYSA-N 0 3 236.319 0.938 20 0 BCADHN CC(C)[C@@H](O)CNC(=O)C12CCCN1CCC2 ZINC000368458364 386977280 /nfs/dbraw/zinc/97/72/80/386977280.db2.gz NRTXLTLVOZJXTR-NSHDSACASA-N 0 3 240.347 0.748 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1CC[C@H]1SC ZINC000425360203 386977661 /nfs/dbraw/zinc/97/76/61/386977661.db2.gz SKPWZADGEYJQGY-DJLDLDEBSA-N 0 3 216.350 0.995 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000353023220 386978367 /nfs/dbraw/zinc/97/83/67/386978367.db2.gz HANOZFXETPQLBJ-GMTAPVOTSA-N 0 3 244.335 0.137 20 0 BCADHN O=C1NCC[C@H]1N1CC[C@@H](Cc2ccncc2)C1 ZINC000368486160 386978441 /nfs/dbraw/zinc/97/84/41/386978441.db2.gz LWXJSHCEUJKXKE-QWHCGFSZSA-N 0 3 245.326 0.835 20 0 BCADHN COC[C@H](C)NC(=O)N1CCN2CCC1CC2 ZINC000368494914 386979636 /nfs/dbraw/zinc/97/96/36/386979636.db2.gz HKHIMMLPHKDIDK-JTQLQIEISA-N 0 3 241.335 0.511 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)COC(C)(C)C)C[C@@H]21 ZINC000334906849 386979931 /nfs/dbraw/zinc/97/99/31/386979931.db2.gz SQVLRBHOLMAWKE-MNOVXSKESA-N 0 3 240.347 0.964 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000332432965 386980238 /nfs/dbraw/zinc/98/02/38/386980238.db2.gz HVEMYNDBWRYWJB-WZRBSPASSA-N 0 3 240.347 0.890 20 0 BCADHN O=C(COCC1CC1)NCCNc1ccncc1 ZINC000341871484 386980262 /nfs/dbraw/zinc/98/02/62/386980262.db2.gz NJULWNDGCGKWTB-UHFFFAOYSA-N 0 3 249.314 0.458 20 0 BCADHN COC(=O)CC1(CN(C)C2(CO)CC2)CC1 ZINC000353025470 386980340 /nfs/dbraw/zinc/98/03/40/386980340.db2.gz RMZLXDCFPSAJEK-UHFFFAOYSA-N 0 3 227.304 0.786 20 0 BCADHN C[C@@H]1C[C@@H](CO)CN(CC(=O)N(C)C2CC2)C1 ZINC000398851204 387008092 /nfs/dbraw/zinc/00/80/92/387008092.db2.gz VDYMXXZHBXFUFB-GHMZBOCLSA-N 0 3 240.347 0.558 20 0 BCADHN CN(C)CC1(NC(=O)[C@@H]2COCCO2)CCC1 ZINC000332470437 386981332 /nfs/dbraw/zinc/98/13/32/386981332.db2.gz RVQZPVBNEFHDSF-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000368503499 386982304 /nfs/dbraw/zinc/98/23/04/386982304.db2.gz LNXAKZCTEWXHLM-UTUOFQBUSA-N 0 3 240.347 0.999 20 0 BCADHN COC(=O)CCCN(C)C1(CO)CC1 ZINC000353029221 386983151 /nfs/dbraw/zinc/98/31/51/386983151.db2.gz PUCRQUZLGWOABT-UHFFFAOYSA-N 0 3 201.266 0.396 20 0 BCADHN CCN(C)C(=O)CN1CCCC[C@H]1C(=N)NO ZINC000368523811 386983502 /nfs/dbraw/zinc/98/35/02/386983502.db2.gz IALQMOMGKRWASY-VIFPVBQESA-N 0 3 242.323 0.275 20 0 BCADHN Cc1ccnc(C(=O)NCC2(N(C)C)CCC2)n1 ZINC000332476335 386983825 /nfs/dbraw/zinc/98/38/25/386983825.db2.gz OWDKMWOMQNREHW-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN Cc1cc(C(=O)NC2(CN(C)C)CCC2)cnn1 ZINC000332489012 386985709 /nfs/dbraw/zinc/98/57/09/386985709.db2.gz WTZDYYIYUFIUQB-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN C[C@H](Cn1c(=O)onc1-c1ccncc1)N(C)C ZINC000331203051 386986973 /nfs/dbraw/zinc/98/69/73/386986973.db2.gz RHPRGDQLEMSQLJ-SECBINFHSA-N 0 3 248.286 0.848 20 0 BCADHN Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCC(=O)NC1 ZINC000358756217 387008450 /nfs/dbraw/zinc/00/84/50/387008450.db2.gz URDRSZJSDKRMRS-KOLCDFICSA-N 0 3 248.330 0.666 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000353010799 386990900 /nfs/dbraw/zinc/99/09/00/386990900.db2.gz JPFSKCYDZBIFEC-ZRUFSTJUSA-N 0 3 242.319 0.034 20 0 BCADHN O=C1NCCN1CCN1CCC[C@H]2OCC[C@H]21 ZINC000367321519 387008471 /nfs/dbraw/zinc/00/84/71/387008471.db2.gz HNBSVVCWJSJHKY-GHMZBOCLSA-N 0 3 239.319 0.265 20 0 BCADHN C[C@H](C[C@H](C)O)NC(=O)C1CCN(C)CC1 ZINC000341919707 386992261 /nfs/dbraw/zinc/99/22/61/386992261.db2.gz COOJJFFPNGQQSG-ZJUUUORDSA-N 0 3 228.336 0.604 20 0 BCADHN CCN(CC)C(=O)CN1C[C@@H](C)C[C@H](CO)C1 ZINC000398788118 386992974 /nfs/dbraw/zinc/99/29/74/386992974.db2.gz FJKVUWAQCUQVTF-RYUDHWBXSA-N 0 3 242.363 0.805 20 0 BCADHN NC(C(=O)NCc1cccnc1)C(F)(F)F ZINC000353031662 386994840 /nfs/dbraw/zinc/99/48/40/386994840.db2.gz VKKQRQCQLGXTLF-SSDOTTSWSA-N 0 3 233.193 0.587 20 0 BCADHN Cc1n[nH]cc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368644150 386997219 /nfs/dbraw/zinc/99/72/19/386997219.db2.gz CBMQBGXWSUOIPI-YUMQZZPRSA-N 0 3 226.255 0.148 20 0 BCADHN C[C@@H]1CC[C@H]1NC(=O)N1CCCNCC1 ZINC000334921665 386997365 /nfs/dbraw/zinc/99/73/65/386997365.db2.gz NERDBOQYPBWQDE-NXEZZACHSA-N 0 3 211.309 0.790 20 0 BCADHN Cn1cc([C@@H](CO)NCC[C@@H]2CCOC2)cn1 ZINC000331247048 386998432 /nfs/dbraw/zinc/99/84/32/386998432.db2.gz SPQONLPWSHYFEM-ZYHUDNBSSA-N 0 3 239.319 0.470 20 0 BCADHN CO[C@@H](CNC(=O)C(N)C(F)(F)F)C(C)C ZINC000353032369 386999712 /nfs/dbraw/zinc/99/97/12/386999712.db2.gz WCAWJFRMSTVVOU-BQBZGAKWSA-N 0 3 242.241 0.663 20 0 BCADHN Cc1nc(C)n(C[C@H]2CCCN2CCCO)n1 ZINC000368672903 387000714 /nfs/dbraw/zinc/00/07/14/387000714.db2.gz OLJYYNKSNDFMOQ-GFCCVEGCSA-N 0 3 238.335 0.742 20 0 BCADHN COC[C@@H](C)N1CCC[C@@H](N2CCOCC2)C1 ZINC000648018429 387000846 /nfs/dbraw/zinc/00/08/46/387000846.db2.gz YHAXKHYPEFISCS-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN NS(=O)(=O)CCCN1C[C@H]2CCCC[C@H]21 ZINC000368684130 387002548 /nfs/dbraw/zinc/00/25/48/387002548.db2.gz SNPDBQZVKMRNBU-NXEZZACHSA-N 0 3 232.349 0.539 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)C[C@@H]1CCC[C@@H]1O ZINC000331319287 387002774 /nfs/dbraw/zinc/00/27/74/387002774.db2.gz KEKLAGKSHAMOJN-SDDRHHMPSA-N 0 3 229.320 0.419 20 0 BCADHN C[C@@H]1C[C@H](CO)CN([C@@H]2CCCCNC2=O)C1 ZINC000398829035 387005140 /nfs/dbraw/zinc/00/51/40/387005140.db2.gz PFGNMBGQMIIEAJ-GRYCIOLGSA-N 0 3 240.347 0.605 20 0 BCADHN O=C1NC[C@H]2CN(CCc3ccccn3)CC[C@H]12 ZINC000368691520 387005141 /nfs/dbraw/zinc/00/51/41/387005141.db2.gz FTBCRVRHGKLNNZ-AAEUAGOBSA-N 0 3 245.326 0.692 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCC(CCCO)CC1 ZINC000331331278 387005298 /nfs/dbraw/zinc/00/52/98/387005298.db2.gz OPTBXGOJZQLYDA-ZDUSSCGKSA-N 0 3 243.347 0.811 20 0 BCADHN CC(C)OCCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418020217 387005579 /nfs/dbraw/zinc/00/55/79/387005579.db2.gz MQOUVWAFPXUQML-GHMZBOCLSA-N 0 3 243.351 0.803 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H](C)C[C@H](C)O)N(C)C ZINC000341933001 387006050 /nfs/dbraw/zinc/00/60/50/387006050.db2.gz SABKSUZGBLTJHF-OUAUKWLOSA-N 0 3 230.352 0.848 20 0 BCADHN Cc1ccncc1CN(C[C@@H](C)O)[C@@H](C)CO ZINC000331052901 386950108 /nfs/dbraw/zinc/95/01/08/386950108.db2.gz JDQZKAOTMFQJAO-NWDGAFQWSA-N 0 3 238.331 0.954 20 0 BCADHN CO[C@@H]1[C@H](C)[C@@H](NC(=O)C(C)(C)N)C1(C)C ZINC000332055405 386950620 /nfs/dbraw/zinc/95/06/20/386950620.db2.gz OKGZATMMXZRMPO-IWSPIJDZSA-N 0 3 228.336 0.899 20 0 BCADHN CN(CCCCCO)CCN1CCCC1=O ZINC000304080537 386950573 /nfs/dbraw/zinc/95/05/73/386950573.db2.gz YMAPDQZREMVQKR-UHFFFAOYSA-N 0 3 228.336 0.703 20 0 BCADHN COC[C@H](O)CN1CC[C@H](c2cccnc2)C1 ZINC000514601097 387007004 /nfs/dbraw/zinc/00/70/04/387007004.db2.gz ZJRFZFVNGHYIBT-QWHCGFSZSA-N 0 3 236.315 0.878 20 0 BCADHN CC[C@H](NC[C@@H](O)CN(C)C)c1nccn1C ZINC000341696353 386952104 /nfs/dbraw/zinc/95/21/04/386952104.db2.gz DZZVPTIPGXCUTK-MNOVXSKESA-N 0 3 240.351 0.383 20 0 BCADHN CCCCCN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000117884476 387030732 /nfs/dbraw/zinc/03/07/32/387030732.db2.gz USYVRYIPBHYXHB-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN C[C@@H]1CCCCN1C(=O)NC[C@@H]1CNCCO1 ZINC000334953618 387031051 /nfs/dbraw/zinc/03/10/51/387031051.db2.gz RSYDJUAZWBMSLS-MNOVXSKESA-N 0 3 241.335 0.559 20 0 BCADHN CS[C@H]1CC[C@H]1N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000425378844 387031506 /nfs/dbraw/zinc/03/15/06/387031506.db2.gz KFIIYFQZHSKPRL-JLIMGVALSA-N 0 3 249.401 0.903 20 0 BCADHN CO[C@@H](CN1CCc2n[nH]c(=O)cc2C1)C1CC1 ZINC000333417991 387033892 /nfs/dbraw/zinc/03/38/92/387033892.db2.gz RDJYELSFYRMGTH-LBPRGKRZSA-N 0 3 249.314 0.965 20 0 BCADHN CO[C@@H](CN1CCCN(C(C)=O)CC1)C1CC1 ZINC000425381178 387034765 /nfs/dbraw/zinc/03/47/65/387034765.db2.gz GRWGIOHEYTWHIC-ZDUSSCGKSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1nc(CN2CC[C@@H](O)C23CCCC3)n[nH]1 ZINC000333421920 387034792 /nfs/dbraw/zinc/03/47/92/387034792.db2.gz IOXCWHLVAZJTLI-SNVBAGLBSA-N 0 3 236.319 0.993 20 0 BCADHN CCc1nc([C@H]2CCCCN2C(=O)CN)no1 ZINC000648026021 387035082 /nfs/dbraw/zinc/03/50/82/387035082.db2.gz MGXKXEOHDWWSEV-MRVPVSSYSA-N 0 3 238.291 0.644 20 0 BCADHN Cc1cc(CN2CCCN(C)CC2)n(C)n1 ZINC000334956536 387035472 /nfs/dbraw/zinc/03/54/72/387035472.db2.gz OHVPCKVSZVVUMT-UHFFFAOYSA-N 0 3 222.336 0.866 20 0 BCADHN Cc1c(CN2CC[C@@H](c3nnc[nH]3)C2)cnn1C ZINC000333458419 387037295 /nfs/dbraw/zinc/03/72/95/387037295.db2.gz LAWDNOXENAOASL-SNVBAGLBSA-N 0 3 246.318 0.836 20 0 BCADHN N[C@H](C(=O)NCCN1CCCCC1)C1CCC1 ZINC000399007864 387037796 /nfs/dbraw/zinc/03/77/96/387037796.db2.gz ANIBOUNFTSGIAQ-LBPRGKRZSA-N 0 3 239.363 0.716 20 0 BCADHN COC[C@@H](N[C@H]1CCCN(C)C1=O)C(C)C ZINC000336764481 387038769 /nfs/dbraw/zinc/03/87/69/387038769.db2.gz NFTQEHBTNPBQOH-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000582998162 387040829 /nfs/dbraw/zinc/04/08/29/387040829.db2.gz HAHXTPQAGSJFBH-NSHDSACASA-N 0 3 236.319 0.436 20 0 BCADHN CC[C@@H](C(N)=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000369378206 387041955 /nfs/dbraw/zinc/04/19/55/387041955.db2.gz QXIUYUKVNFRNBE-JDUUOCRZSA-N 0 3 226.320 0.343 20 0 BCADHN CCN(C)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160097346 387041986 /nfs/dbraw/zinc/04/19/86/387041986.db2.gz FHWMQOYNYNPVHM-GBIKHYSHSA-N 0 3 240.347 0.997 20 0 BCADHN C[C@@H]1CN(C(=O)C23CCCN2CCC3)CCO1 ZINC000334979059 387066733 /nfs/dbraw/zinc/06/67/33/387066733.db2.gz WXHXWHDBJURPOB-LLVKDONJSA-N 0 3 238.331 0.862 20 0 BCADHN C[C@@H]1NCCN(C(=O)N[C@@H]2CCCOC2)[C@H]1C ZINC000333555887 387042931 /nfs/dbraw/zinc/04/29/31/387042931.db2.gz KVMZTFAYPDFEJD-GARJFASQSA-N 0 3 241.335 0.557 20 0 BCADHN CC1(C)C[C@H](N[C@@H](CO)[C@H]2CCCO2)CO1 ZINC000418031708 387044039 /nfs/dbraw/zinc/04/40/39/387044039.db2.gz OLYOWFVDFCLVOO-GARJFASQSA-N 0 3 229.320 0.683 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000161994497 387049684 /nfs/dbraw/zinc/04/96/84/387049684.db2.gz QHCPBXWVKCBGPT-ZJUUUORDSA-N 0 3 230.352 0.883 20 0 BCADHN CCC[C@@H]1C[C@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000333707918 387052010 /nfs/dbraw/zinc/05/20/10/387052010.db2.gz FCTQGAGGOINKIA-GMTAPVOTSA-N 0 3 241.335 0.463 20 0 BCADHN CCNC(=O)CN(CC)C(=O)[C@H](N)C1CCC1 ZINC000399074686 387052144 /nfs/dbraw/zinc/05/21/44/387052144.db2.gz NEWVEOAYMRULMF-LLVKDONJSA-N 0 3 241.335 0.098 20 0 BCADHN CCC[C@H](C(=O)NCC1(O)CCC1)N(C)C ZINC000305252633 387052393 /nfs/dbraw/zinc/05/23/93/387052393.db2.gz LLPXXXQHXLSERD-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H](CO)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000305230111 387052443 /nfs/dbraw/zinc/05/24/43/387052443.db2.gz XSARVIZASVQRNG-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@]1(F)CCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000334970087 387054672 /nfs/dbraw/zinc/05/46/72/387054672.db2.gz SOIDYXNDHFMBGF-MWLCHTKSSA-N 0 3 245.298 0.118 20 0 BCADHN CC[C@H]1CCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000334970205 387054685 /nfs/dbraw/zinc/05/46/85/387054685.db2.gz SSYPIXDPJQPFIF-QWRGUYRKSA-N 0 3 241.335 0.416 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCNC[C@@H]1CCC ZINC000359209665 387067159 /nfs/dbraw/zinc/06/71/59/387067159.db2.gz AXJMEYOIVNSUSO-WDEREUQCSA-N 0 3 227.352 0.714 20 0 BCADHN CC[C@H](O)CN1CCCC[C@H]1C(=N)NO ZINC000369579331 387055491 /nfs/dbraw/zinc/05/54/91/387055491.db2.gz NPUNDAJLLBMRGQ-IUCAKERBSA-N 0 3 215.297 0.568 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)C[C@H]1CCCO1 ZINC000157217251 387057612 /nfs/dbraw/zinc/05/76/12/387057612.db2.gz QKFYMQPWPWPHCG-XHNCKOQMSA-N 0 3 200.282 0.407 20 0 BCADHN C=Cn1cc(CNC[C@@]2(O)CCO[C@@H]2C)cn1 ZINC000227973354 387058987 /nfs/dbraw/zinc/05/89/87/387058987.db2.gz LXMPHNVNSJXKLU-PWSUYJOCSA-N 0 3 237.303 0.613 20 0 BCADHN CSC[C@@H](O)CN1CCC[C@H]2OCC[C@H]21 ZINC000369784742 387067247 /nfs/dbraw/zinc/06/72/47/387067247.db2.gz QNYRLGAYSIEQSL-HBNTYKKESA-N 0 3 231.361 0.964 20 0 BCADHN CN1CCC(NC(=O)N2CCC[C@H]2CO)CC1 ZINC000118564572 387060396 /nfs/dbraw/zinc/06/03/96/387060396.db2.gz GLWXLKPGYHXUSR-NSHDSACASA-N 0 3 241.335 0.247 20 0 BCADHN CC(C)[C@@H](O)CNC(=O)NC[C@H]1CCCN1C ZINC000334044190 387060715 /nfs/dbraw/zinc/06/07/15/387060715.db2.gz DAGMGKLMTALWHH-MNOVXSKESA-N 0 3 243.351 0.397 20 0 BCADHN CC[C@H]1CN(C(=O)C2(N)CCC2)C[C@@H](C)O1 ZINC000336221425 387061606 /nfs/dbraw/zinc/06/16/06/387061606.db2.gz DWLBYZKAGKVLDH-ZJUUUORDSA-N 0 3 226.320 0.894 20 0 BCADHN COC(=O)[C@H](C1CC1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228053004 387062883 /nfs/dbraw/zinc/06/28/83/387062883.db2.gz ASXCHRJQOZLKII-QCNOEVLYSA-N 0 3 239.315 0.641 20 0 BCADHN C[C@H](CNC(=O)N(C)CCO)N(C)C1CC1 ZINC000305728670 387062968 /nfs/dbraw/zinc/06/29/68/387062968.db2.gz MNTRWJNLWKREJC-SECBINFHSA-N 0 3 229.324 0.103 20 0 BCADHN C[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1cnccn1 ZINC000228055307 387063953 /nfs/dbraw/zinc/06/39/53/387063953.db2.gz UDAAAVSRUCSWTE-UMNHJUIQSA-N 0 3 237.303 0.667 20 0 BCADHN C[C@@H](O)C[C@@H](C)NCc1cnc(N(C)C)n1C ZINC000228065476 387064169 /nfs/dbraw/zinc/06/41/69/387064169.db2.gz VRGAWYRNZWVGPS-NXEZZACHSA-N 0 3 240.351 0.735 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)C[C@H]1CCCC[C@@H]1O ZINC000331297686 387009089 /nfs/dbraw/zinc/00/90/89/387009089.db2.gz DCZJOZBZDZLVQS-FRRDWIJNSA-N 0 3 243.347 0.809 20 0 BCADHN O=C1CCCN1CCN1CCC[C@@]12CCOC2 ZINC000341971080 387009882 /nfs/dbraw/zinc/00/98/82/387009882.db2.gz ONYQGJXOXLEVAX-ZDUSSCGKSA-N 0 3 238.331 0.864 20 0 BCADHN CSCCCN1CCN2CCOC[C@H]2C1 ZINC000368813676 387011639 /nfs/dbraw/zinc/01/16/39/387011639.db2.gz JGJRRIFLIKEPEO-LLVKDONJSA-N 0 3 230.377 0.756 20 0 BCADHN CC[C@@H](C(=O)NCc1cccnn1)N(C)C ZINC000331305707 387012080 /nfs/dbraw/zinc/01/20/80/387012080.db2.gz WVNZGAYIAQNDJX-JTQLQIEISA-N 0 3 222.292 0.433 20 0 BCADHN CO[C@@H]1CCC[C@H]1CNC(=O)NCCN(C)C ZINC000342002969 387014420 /nfs/dbraw/zinc/01/44/20/387014420.db2.gz MJAQWJGWLIQPDL-WDEREUQCSA-N 0 3 243.351 0.662 20 0 BCADHN CC(C)N(C)C(=O)CN[C@@H]1CCC[C@@]1(C)CO ZINC000331360631 387018492 /nfs/dbraw/zinc/01/84/92/387018492.db2.gz YBEZTOLKUGIKIM-YPMHNXCESA-N 0 3 242.363 0.994 20 0 BCADHN CN(CC1CCOCC1)[C@@H]1CCCNC1=O ZINC000334943285 387020215 /nfs/dbraw/zinc/02/02/15/387020215.db2.gz ILCLIINXUPGGMA-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN CC1(C)CN(CC(=O)NC(N)=O)[C@H]2CCC[C@H]21 ZINC000334942558 387020444 /nfs/dbraw/zinc/02/04/44/387020444.db2.gz USSAKVHBUHUKKO-BDAKNGLRSA-N 0 3 239.319 0.692 20 0 BCADHN C[C@]1(CNC(=O)N2CCCNCC2)CCCO1 ZINC000334944037 387021474 /nfs/dbraw/zinc/02/14/74/387021474.db2.gz LTZZMLOANBIUHJ-GFCCVEGCSA-N 0 3 241.335 0.560 20 0 BCADHN CC[C@H](N[C@H]1CC[C@H]1SC)C(=O)NC ZINC000425370308 387028295 /nfs/dbraw/zinc/02/82/95/387028295.db2.gz NUNYAGPCZHTFCY-XHNCKOQMSA-N 0 3 216.350 0.995 20 0 BCADHN Cc1cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)[nH]n1 ZINC000070559588 387069809 /nfs/dbraw/zinc/06/98/09/387069809.db2.gz RBIJHZNRPPPKCB-IUCAKERBSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)n[nH]1 ZINC000070559588 387069813 /nfs/dbraw/zinc/06/98/13/387069813.db2.gz RBIJHZNRPPPKCB-IUCAKERBSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)N[C@H](C)C2)[nH]n1 ZINC000070559587 387070340 /nfs/dbraw/zinc/07/03/40/387070340.db2.gz RBIJHZNRPPPKCB-RKDXNWHRSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)N[C@H](C)C2)n[nH]1 ZINC000070559587 387070345 /nfs/dbraw/zinc/07/03/45/387070345.db2.gz RBIJHZNRPPPKCB-RKDXNWHRSA-N 0 3 222.292 0.541 20 0 BCADHN CS[C@@H]1CCN(C[C@@H]2COCCO2)C1 ZINC000336236947 387072212 /nfs/dbraw/zinc/07/22/12/387072212.db2.gz AFDGTDGTOTVUBF-NXEZZACHSA-N 0 3 217.334 0.839 20 0 BCADHN CS[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC000336237010 387073422 /nfs/dbraw/zinc/07/34/22/387073422.db2.gz DWYLTJVVEZWMTQ-JGVFFNPUSA-N 0 3 200.307 0.312 20 0 BCADHN O=C1NCCC[C@H]1N1CCC[C@H](CCO)CC1 ZINC000333886962 387073486 /nfs/dbraw/zinc/07/34/86/387073486.db2.gz WETXCDFXXIWXPU-NWDGAFQWSA-N 0 3 240.347 0.750 20 0 BCADHN COC(=O)CNC(=O)[C@@H]1CCCN1CC1CC1 ZINC000418121026 387074042 /nfs/dbraw/zinc/07/40/42/387074042.db2.gz IKYIQNWCHNXPPH-JTQLQIEISA-N 0 3 240.303 0.150 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC000359256873 387074682 /nfs/dbraw/zinc/07/46/82/387074682.db2.gz ZXUGHVFGVGSGKY-QWRGUYRKSA-N 0 3 230.352 0.971 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@H]1CCCC[C@H]1O ZINC000333900905 387074866 /nfs/dbraw/zinc/07/48/66/387074866.db2.gz SSWYJYPFTJNKBY-UKKRHICBSA-N 0 3 215.293 0.293 20 0 BCADHN Cc1noc(C)c1S(=O)(=O)[N-]CC(C)(C)[NH3+] ZINC000160141749 387076054 /nfs/dbraw/zinc/07/60/54/387076054.db2.gz YMHZLAHXJTVXIR-UHFFFAOYSA-N 0 3 247.320 0.307 20 0 BCADHN Cn1cc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cn1 ZINC000228101322 387076182 /nfs/dbraw/zinc/07/61/82/387076182.db2.gz QRUXFFXRLUCPMT-QJPTWQEYSA-N 0 3 221.304 0.623 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1 ZINC000334990241 387078208 /nfs/dbraw/zinc/07/82/08/387078208.db2.gz GBKPRMUWPKCZIX-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C[C@@H]1CCCO1)[C@]1(CO)CCOC1 ZINC000359594880 387130599 /nfs/dbraw/zinc/13/05/99/387130599.db2.gz FEEJCLZMZZIXRN-QWRGUYRKSA-N 0 3 215.293 0.249 20 0 BCADHN CO[C@H](C)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000118955064 387082186 /nfs/dbraw/zinc/08/21/86/387082186.db2.gz JTGALNHIXNFXMD-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000228216239 387083529 /nfs/dbraw/zinc/08/35/29/387083529.db2.gz UAWLIALNODXUOB-AEJSXWLSSA-N 0 3 226.320 0.763 20 0 BCADHN NC(=O)CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000228487081 387087353 /nfs/dbraw/zinc/08/73/53/387087353.db2.gz MBWZTYPMOBWEAS-AXFHLTTASA-N 0 3 226.320 0.487 20 0 BCADHN CC(C)NC(=O)CN1CCNC[C@@](C)(F)C1 ZINC000334997250 387088323 /nfs/dbraw/zinc/08/83/23/387088323.db2.gz CKRYLGWLMLCGIZ-LLVKDONJSA-N 0 3 231.315 0.144 20 0 BCADHN CC(C)=CCCNC(=O)NC[C@H]1CNCCO1 ZINC000418078464 387089193 /nfs/dbraw/zinc/08/91/93/387089193.db2.gz JIZSDZMHZMTVFT-LLVKDONJSA-N 0 3 241.335 0.630 20 0 BCADHN CCN(C)CCNC(=O)CCCC(C)=O ZINC000186288246 387090252 /nfs/dbraw/zinc/09/02/52/387090252.db2.gz DCKPBROGOHKGHP-UHFFFAOYSA-N 0 3 214.309 0.814 20 0 BCADHN Cc1csc(S(=O)(=O)N(C)C2CNC2)c1 ZINC000334997845 387090559 /nfs/dbraw/zinc/09/05/59/387090559.db2.gz GARLGRNMAKGFLB-UHFFFAOYSA-N 0 3 246.357 0.649 20 0 BCADHN CC[C@H](N)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000370180399 387094868 /nfs/dbraw/zinc/09/48/68/387094868.db2.gz CFSURQJVQQUEOZ-RYUDHWBXSA-N 0 3 248.330 0.292 20 0 BCADHN C[C@@H](CO)[C@H](C)NCC(=O)N1CCCCCC1 ZINC000228591280 387095052 /nfs/dbraw/zinc/09/50/52/387095052.db2.gz HQHQXYLHKFZGES-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN COCCOCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000067865725 387097358 /nfs/dbraw/zinc/09/73/58/387097358.db2.gz NYRPPYVQZMGUMN-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN C[C@H](CNC(=O)[C@@](C)(O)C1CC1)N(C)C ZINC000359407462 387098600 /nfs/dbraw/zinc/09/86/00/387098600.db2.gz YRLGFFQLHYOCIR-KCJUWKMLSA-N 0 3 214.309 0.214 20 0 BCADHN COC[C@@H](C)N1CCCN(CC(=O)OC)CC1 ZINC000370236360 387100144 /nfs/dbraw/zinc/10/01/44/387100144.db2.gz OMFMIZPQBOYSEH-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN C[C@H]1CCNC[C@H]1NS(=O)(=O)C1(C)CC1 ZINC000335007355 387100690 /nfs/dbraw/zinc/10/06/90/387100690.db2.gz PKKJPZJWNQTUEE-DTWKUNHWSA-N 0 3 232.349 0.456 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@@H]1CCN(C2CC2)C1=O ZINC000336766332 387103787 /nfs/dbraw/zinc/10/37/87/387103787.db2.gz OSVQKCQMISGSCZ-FXPVBKGRSA-N 0 3 226.320 0.763 20 0 BCADHN CNC(=O)CCCNCc1ccc(OC)nc1 ZINC000068818231 387107307 /nfs/dbraw/zinc/10/73/07/387107307.db2.gz PDJOKGILHMFUMO-UHFFFAOYSA-N 0 3 237.303 0.706 20 0 BCADHN Cn1nccc1CN[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000370284263 387107811 /nfs/dbraw/zinc/10/78/11/387107811.db2.gz AWDAVAVVZKFBSS-DGCLKSJQSA-N 0 3 248.330 0.567 20 0 BCADHN CCN(C)C(=O)[C@H](C)NCC1=CCCOC1 ZINC000188897548 387108080 /nfs/dbraw/zinc/10/80/80/387108080.db2.gz SNQNTIQGJKOFFW-JTQLQIEISA-N 0 3 226.320 0.790 20 0 BCADHN CCC[C@]1(CO)CCCN1Cc1cnnn1C ZINC000352358646 387111526 /nfs/dbraw/zinc/11/15/26/387111526.db2.gz VXQJZBVRQDBODC-GFCCVEGCSA-N 0 3 238.335 0.942 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000370365450 387112231 /nfs/dbraw/zinc/11/22/31/387112231.db2.gz FVZZHGAYRMOWAP-WOPDTQHZSA-N 0 3 240.347 0.855 20 0 BCADHN C([C@H]1CCOC1)N1CCO[C@]2(CCCOC2)C1 ZINC000352360877 387114048 /nfs/dbraw/zinc/11/40/48/387114048.db2.gz IIKKWOVQMGSSKP-CHWSQXEVSA-N 0 3 241.331 0.904 20 0 BCADHN CO[C@]1(C)CCCN([C@@H]2CCN(C)C2=O)C1 ZINC000335024297 387113949 /nfs/dbraw/zinc/11/39/49/387113949.db2.gz FBUIRDBLRRTTDD-ZYHUDNBSSA-N 0 3 226.320 0.718 20 0 BCADHN CC(C)(C)[C@@H](CO)NC[C@@H](O)C(F)(F)F ZINC000193113771 387117933 /nfs/dbraw/zinc/11/79/33/387117933.db2.gz JJVDSHITPTXBQV-RNFRBKRXSA-N 0 3 229.242 0.906 20 0 BCADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCC(C)CC1 ZINC000335027513 387120960 /nfs/dbraw/zinc/12/09/60/387120960.db2.gz DISHZPNYJQGMEL-JTQLQIEISA-N 0 3 241.335 0.051 20 0 BCADHN Cc1cnn(CC(=O)N(C)CCN(C)C)c1 ZINC000359556099 387121284 /nfs/dbraw/zinc/12/12/84/387121284.db2.gz BPYMQJCQHAQDGV-UHFFFAOYSA-N 0 3 224.308 0.212 20 0 BCADHN Cc1c[nH]cc1C(=O)N(C)CCN(C)C ZINC000359559506 387123832 /nfs/dbraw/zinc/12/38/32/387123832.db2.gz PXPDYIDQNFOHKU-UHFFFAOYSA-N 0 3 209.293 0.957 20 0 BCADHN CCC(C)(C)NC(=O)CN[C@H](C)[C@H](C)CO ZINC000228729956 387124142 /nfs/dbraw/zinc/12/41/42/387124142.db2.gz FCILVZNRLFUCFF-NXEZZACHSA-N 0 3 230.352 0.898 20 0 BCADHN Cn1cncc1C(=O)N[C@H]1CNCCC1(F)F ZINC000335030373 387124023 /nfs/dbraw/zinc/12/40/23/387124023.db2.gz CIMOMPKVLUWIRE-QMMMGPOBSA-N 0 3 244.245 0.147 20 0 BCADHN CC(C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000071906321 387124830 /nfs/dbraw/zinc/12/48/30/387124830.db2.gz UCIKTXUNCNJEBV-ZCFIWIBFSA-N 0 3 207.295 0.334 20 0 BCADHN CN(C[C@@H]1CCCCO1)[C@]1(CO)CCOC1 ZINC000359578473 387125818 /nfs/dbraw/zinc/12/58/18/387125818.db2.gz IIPDUUFWANCHKN-RYUDHWBXSA-N 0 3 229.320 0.639 20 0 BCADHN COC[C@H](N[C@@H]1CCOC1)[C@H]1CCCO1 ZINC000336766899 387126722 /nfs/dbraw/zinc/12/67/22/387126722.db2.gz SCGRENUJQMBUNB-OUAUKWLOSA-N 0 3 215.293 0.559 20 0 BCADHN COC[C@H](NCC(=O)N1CCC1)C1CC1 ZINC000336766905 387127568 /nfs/dbraw/zinc/12/75/68/387127568.db2.gz 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ZINC000085620302 387151131 /nfs/dbraw/zinc/15/11/31/387151131.db2.gz MFOVGAQKPLSJRN-VHSXEESVSA-N 0 3 244.360 0.329 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@](C)(O)CC1 ZINC000300312247 387192772 /nfs/dbraw/zinc/19/27/72/387192772.db2.gz UTGJESXFRWKOBW-MFKMUULPSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCCF)C1 ZINC000571893654 387192806 /nfs/dbraw/zinc/19/28/06/387192806.db2.gz ABMCKQHHLJVWLE-SECBINFHSA-N 0 3 202.273 0.804 20 0 BCADHN NS(=O)(=O)CCCN1CCCC2(CC2)C1 ZINC000186952659 387155758 /nfs/dbraw/zinc/15/57/58/387155758.db2.gz CXMZNHMKUPYJIN-UHFFFAOYSA-N 0 3 232.349 0.541 20 0 BCADHN CCOCC(=O)N1CCCC[C@@H]1CN(C)C ZINC000119955626 387157769 /nfs/dbraw/zinc/15/77/69/387157769.db2.gz CFQPRLGEPWAPOY-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCOC[C@H](O)CN(C)CCc1noc(C)n1 ZINC000353210250 387158665 /nfs/dbraw/zinc/15/86/65/387158665.db2.gz PPBPZHQCRORSCU-SNVBAGLBSA-N 0 3 243.307 0.250 20 0 BCADHN C[C@H](N)C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C ZINC000353223948 387160434 /nfs/dbraw/zinc/16/04/34/387160434.db2.gz AFBZOKWFBFHTNQ-WCBMZHEXSA-N 0 3 238.335 0.971 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-][C@@H](C[NH3+])C2CC2)o1 ZINC000353221990 387161585 /nfs/dbraw/zinc/16/15/85/387161585.db2.gz YQLFXBSOGFCJGJ-VIFPVBQESA-N 0 3 244.316 0.604 20 0 BCADHN COC[C@H](C)N(C)C(=O)C[C@@H]1CSCCN1 ZINC000085613462 387162329 /nfs/dbraw/zinc/16/23/29/387162329.db2.gz CPDPQYBEACVZEF-VHSXEESVSA-N 0 3 246.376 0.575 20 0 BCADHN COCCCN(C)C(=O)C[C@@H]1CSCCN1 ZINC000085614320 387163112 /nfs/dbraw/zinc/16/31/12/387163112.db2.gz UKTCNRNSPUXRFG-SNVBAGLBSA-N 0 3 246.376 0.576 20 0 BCADHN CCN(CC(C)C)C(=O)C[C@H]1CNCCO1 ZINC000085619124 387163180 /nfs/dbraw/zinc/16/31/80/387163180.db2.gz RAVLOGAUXIEVKD-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)[C@H](O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000353238115 387163311 /nfs/dbraw/zinc/16/33/11/387163311.db2.gz XBYYDQZBWUFGMT-TUAOUCFPSA-N 0 3 242.363 0.802 20 0 BCADHN CCn1cc([C@@H](C)NCCNCCOC)cn1 ZINC000423321785 387164227 /nfs/dbraw/zinc/16/42/27/387164227.db2.gz FZIFKWDKDYZNKK-LLVKDONJSA-N 0 3 240.351 0.790 20 0 BCADHN CC[C@@H](C)C[NH+]1CCC2(CC1)NC(=O)[N-]C2=O ZINC000336338817 387164108 /nfs/dbraw/zinc/16/41/08/387164108.db2.gz ITBJIVOYMKMNOB-SECBINFHSA-N 0 3 239.319 0.707 20 0 BCADHN CC[C@H](COC)NC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000229249521 387164584 /nfs/dbraw/zinc/16/45/84/387164584.db2.gz HTKZHNWRTWEAEV-HBNTYKKESA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@H](COC)NC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000229249498 387165286 /nfs/dbraw/zinc/16/52/86/387165286.db2.gz HTKZHNWRTWEAEV-AXFHLTTASA-N 0 3 228.336 0.916 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCC1CCOCC1 ZINC000352405672 387165540 /nfs/dbraw/zinc/16/55/40/387165540.db2.gz OFFSGQWDDMRTRL-JTQLQIEISA-N 0 3 243.351 0.662 20 0 BCADHN CCN(CC[C@H](C)F)[C@@H]1CCNC1=O ZINC000352405139 387166003 /nfs/dbraw/zinc/16/60/03/387166003.db2.gz GRJFYOAQTYGFJO-DTWKUNHWSA-N 0 3 202.273 0.945 20 0 BCADHN CCN(CCCCF)[C@H]1CCNC1=O ZINC000352404506 387166078 /nfs/dbraw/zinc/16/60/78/387166078.db2.gz BKISZEOXSVCLDY-VIFPVBQESA-N 0 3 202.273 0.947 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@]1(O)CCC[C@H]1C ZINC000359807323 387166421 /nfs/dbraw/zinc/16/64/21/387166421.db2.gz LLAPDNDTGGEDEZ-YPMHNXCESA-N 0 3 242.363 0.994 20 0 BCADHN CCOC(=O)COCCN1CC[C@H](O)[C@@H](C)C1 ZINC000229393816 387166913 /nfs/dbraw/zinc/16/69/13/387166913.db2.gz PHIJYCHODFGMIQ-QWRGUYRKSA-N 0 3 245.319 0.269 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1C[C@@H](O)C(C)(C)C1 ZINC000571746412 387168021 /nfs/dbraw/zinc/16/80/21/387168021.db2.gz AZKGDWQJNACLFR-SKDRFNHKSA-N 0 3 245.319 0.003 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000367150180 387168098 /nfs/dbraw/zinc/16/80/98/387168098.db2.gz CIHYTHJZAVHCPR-NWDGAFQWSA-N 0 3 240.347 0.700 20 0 BCADHN Cc1cn[nH]c1CNCC(=O)NC1CC1 ZINC000290028318 387169955 /nfs/dbraw/zinc/16/99/55/387169955.db2.gz VOUPRQSFYQIFPK-UHFFFAOYSA-N 0 3 208.265 0.086 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2CCCO2)CCC1 ZINC000353312019 387177579 /nfs/dbraw/zinc/17/75/79/387177579.db2.gz JJHNHDNYBNRPTF-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN Cc1nc(CNCCOCCN(C)C)[nH]c1C ZINC000571821179 387178308 /nfs/dbraw/zinc/17/83/08/387178308.db2.gz KLFFBKFSABOBMA-UHFFFAOYSA-N 0 3 240.351 0.694 20 0 BCADHN COCCCCN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187368010 387180866 /nfs/dbraw/zinc/18/08/66/387180866.db2.gz ZQIDZDASWDCULR-MNOVXSKESA-N 0 3 228.336 0.999 20 0 BCADHN CC(C)[C@H]1CN(CC(=O)N2CCC2)CCN1C ZINC000336350648 387181169 /nfs/dbraw/zinc/18/11/69/387181169.db2.gz SKTIOOIMUBOYAF-GFCCVEGCSA-N 0 3 239.363 0.491 20 0 BCADHN Cc1cnn([C@@H]2CCN([C@@H]3COC[C@H]3O)C2)c1 ZINC000571850335 387184040 /nfs/dbraw/zinc/18/40/40/387184040.db2.gz GFRAMOQZCUJHAC-IJLUTSLNSA-N 0 3 237.303 0.198 20 0 BCADHN O=C1NC[C@@H]2CN(C3CCCC3)CCN12 ZINC000120112130 387185978 /nfs/dbraw/zinc/18/59/78/387185978.db2.gz LVXFKHLJMQPPJY-SNVBAGLBSA-N 0 3 209.293 0.638 20 0 BCADHN CS(=O)(=O)NCCN1CC[C@@H](C2CC2)C1 ZINC000371307692 387189256 /nfs/dbraw/zinc/18/92/56/387189256.db2.gz HFWKECQDVFRURO-SNVBAGLBSA-N 0 3 232.349 0.268 20 0 BCADHN CN(C)[C@@]1(CNC(=O)NC2CC2)CCSC1 ZINC000359606788 387133972 /nfs/dbraw/zinc/13/39/72/387133972.db2.gz ZOXLHFDFZOBNGL-LLVKDONJSA-N 0 3 243.376 0.885 20 0 BCADHN CCCNC(=O)[C@@H](C)N(C)CCN(C)C1CC1 ZINC000186794680 387135877 /nfs/dbraw/zinc/13/58/77/387135877.db2.gz OOZMZEKDHSCRDR-LLVKDONJSA-N 0 3 241.379 0.927 20 0 BCADHN CN(C)C(=O)CC(=O)N(C)CCN(C)C1CC1 ZINC000186792304 387137326 /nfs/dbraw/zinc/13/73/26/387137326.db2.gz HHIVZANWKORTKP-UHFFFAOYSA-N 0 3 241.335 0.017 20 0 BCADHN CS(=O)(=O)NCCN1CCC2(CCC2)CC1 ZINC000370741584 387139497 /nfs/dbraw/zinc/13/94/97/387139497.db2.gz UOBVYBTUTRWXSD-UHFFFAOYSA-N 0 3 246.376 0.802 20 0 BCADHN COC[C@H](C)[C@@H](C)C(=O)NC[C@H](C)N(C)C ZINC000359983802 387206823 /nfs/dbraw/zinc/20/68/23/387206823.db2.gz JQJCQJJWIZFBCZ-GARJFASQSA-N 0 3 230.352 0.971 20 0 BCADHN NC(C(=O)NCc1nccs1)C(F)(F)F ZINC000353474405 387210734 /nfs/dbraw/zinc/21/07/34/387210734.db2.gz WFWLIHYTCWTAHP-YFKPBYRVSA-N 0 3 239.222 0.649 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCC1(C(N)=O)CCCC1 ZINC000353666183 387252754 /nfs/dbraw/zinc/25/27/54/387252754.db2.gz YKSWUMVPDPCVAJ-SECBINFHSA-N 0 3 241.335 0.132 20 0 BCADHN CC(C)N(C)CC(=O)N1CCOC[C@H](C)C1 ZINC000336380878 387211619 /nfs/dbraw/zinc/21/16/19/387211619.db2.gz PTTNUSVAXDYVMD-LLVKDONJSA-N 0 3 228.336 0.822 20 0 BCADHN C[C@@H](CN1CCOCC1)N(C)C1CC(O)C1 ZINC000353484573 387212070 /nfs/dbraw/zinc/21/20/70/387212070.db2.gz QSXMTTVJCBTNPI-UNXYVOJBSA-N 0 3 228.336 0.162 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1C(=O)C(=O)N(C)CCN ZINC000423361054 387212856 /nfs/dbraw/zinc/21/28/56/387212856.db2.gz WTCRVJOHSGFHAX-NXEZZACHSA-N 0 3 241.335 0.051 20 0 BCADHN COCCNCCNC(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000418194125 387214956 /nfs/dbraw/zinc/21/49/56/387214956.db2.gz FAXKEXBOGUGUQT-NXEZZACHSA-N 0 3 247.314 0.412 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCSC1)N(C)C ZINC000353490189 387215924 /nfs/dbraw/zinc/21/59/24/387215924.db2.gz HSAKLVQXKZKFBY-RKDXNWHRSA-N 0 3 216.350 0.806 20 0 BCADHN CC(C)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000306496562 387217600 /nfs/dbraw/zinc/21/76/00/387217600.db2.gz DXZRVWOWCVMQGP-MRVPVSSYSA-N 0 3 206.311 0.148 20 0 BCADHN CC(C)N1CC[C@@H](N(C)CC2(O)CCC2)C1=O ZINC000353500887 387218408 /nfs/dbraw/zinc/21/84/08/387218408.db2.gz YFECANDVOUTWSI-LLVKDONJSA-N 0 3 240.347 0.843 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCc2cncnc2C1 ZINC000353666960 387253226 /nfs/dbraw/zinc/25/32/26/387253226.db2.gz DYQKOMOWRKHKIZ-CYBMUJFWSA-N 0 3 248.330 0.879 20 0 BCADHN C[C@@H]1CN(CCN2CCCCC2)C[C@@H](CO)O1 ZINC000230016114 387225779 /nfs/dbraw/zinc/22/57/79/387225779.db2.gz AFTJCUDZYZVDJO-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN CC(C(=O)NC1CCC1)S(C)(=O)=O ZINC000306510611 387226259 /nfs/dbraw/zinc/22/62/59/387226259.db2.gz LEZITHIUUOASAH-ZCFIWIBFSA-N 0 3 205.279 0.088 20 0 BCADHN CN(C)CCN(C)C(=O)NC[C@H]1CCCO1 ZINC000352462438 387227115 /nfs/dbraw/zinc/22/71/15/387227115.db2.gz UOGOYGRDMHJROJ-SNVBAGLBSA-N 0 3 229.324 0.368 20 0 BCADHN C[C@H]1CCCN(CCCS(C)(=O)=O)[C@@H]1CN ZINC000063015264 387228546 /nfs/dbraw/zinc/22/85/46/387228546.db2.gz NQOLFJSQIGIDGY-WDEREUQCSA-N 0 3 248.392 0.480 20 0 BCADHN COCCNCCNC(=O)NCC[C@H](C)F ZINC000418228854 387228737 /nfs/dbraw/zinc/22/87/37/387228737.db2.gz SVBYNJLTAISEPT-VIFPVBQESA-N 0 3 235.303 0.270 20 0 BCADHN CCOC[C@H](C)N[C@@H]1CCC(=O)N(C)C1=O ZINC000230063483 387229472 /nfs/dbraw/zinc/22/94/72/387229472.db2.gz RBZRBGTXIBCSCG-DTWKUNHWSA-N 0 3 228.292 0.148 20 0 BCADHN CCN(CCc1nccs1)C(=O)CNC ZINC000193137896 387230517 /nfs/dbraw/zinc/23/05/17/387230517.db2.gz MKYUPCHBINYRIX-UHFFFAOYSA-N 0 3 227.333 0.754 20 0 BCADHN CCCCNC(=O)[C@@H](C)N(CCO)CC1CC1 ZINC000352468229 387230531 /nfs/dbraw/zinc/23/05/31/387230531.db2.gz PSYQCABZDVPIBW-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1noc([C@H](C)NC(=O)[C@@H](N)CC(C)C)n1 ZINC000353561462 387230954 /nfs/dbraw/zinc/23/09/54/387230954.db2.gz KIMIWHLONPYVDF-CBAPKCEASA-N 0 3 240.307 0.929 20 0 BCADHN CNCC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000193137947 387231217 /nfs/dbraw/zinc/23/12/17/387231217.db2.gz ATXTWNAKBQMLHI-IEBDPFPHSA-N 0 3 224.304 0.280 20 0 BCADHN Cc1occc1CNC[C@]1(O)CCOC1 ZINC000321483095 387232520 /nfs/dbraw/zinc/23/25/20/387232520.db2.gz JFQRMNYVMXOBLM-LLVKDONJSA-N 0 3 211.261 0.829 20 0 BCADHN C[C@H](N)C(=O)NCc1ccc(OCCO)cc1 ZINC000353581744 387232804 /nfs/dbraw/zinc/23/28/04/387232804.db2.gz NRHCZEOOXDTPKL-VIFPVBQESA-N 0 3 238.287 0.021 20 0 BCADHN COCCN(C)CCNC(=O)[C@]1(C)C[C@H]1F ZINC000424650799 387234049 /nfs/dbraw/zinc/23/40/49/387234049.db2.gz USFDPYZANJKTIR-MWLCHTKSSA-N 0 3 232.299 0.429 20 0 BCADHN CCN(C)CCNC(=O)[C@@]1(C)C[C@H]1F ZINC000424657115 387236813 /nfs/dbraw/zinc/23/68/13/387236813.db2.gz NBTKXECBCNDPCJ-SCZZXKLOSA-N 0 3 202.273 0.802 20 0 BCADHN CCN(CC)C(=O)C[C@H](C)N[C@H](CO)COC ZINC000353605925 387240681 /nfs/dbraw/zinc/24/06/81/387240681.db2.gz COKJGYBRSCAMJW-WDEREUQCSA-N 0 3 246.351 0.230 20 0 BCADHN CCN(C)CCNC(=O)CCc1ncccn1 ZINC000360187336 387241109 /nfs/dbraw/zinc/24/11/09/387241109.db2.gz GSNQKVIKKGGMNG-UHFFFAOYSA-N 0 3 236.319 0.477 20 0 BCADHN Cc1cn2c(n1)CN(C(=O)/C=C/CN(C)C)CC2 ZINC000371736302 387245346 /nfs/dbraw/zinc/24/53/46/387245346.db2.gz OBGFYCZIARZRBL-SNAWJCMRSA-N 0 3 248.330 0.652 20 0 BCADHN CN(C)C1(CN(C)C(=O)[C@H]2CCOC2)CCC1 ZINC000188021274 387245836 /nfs/dbraw/zinc/24/58/36/387245836.db2.gz IWFJZLOYEILWCD-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCN(CC)CC(=O)NC[C@H](C)CO ZINC000120465705 387247001 /nfs/dbraw/zinc/24/70/01/387247001.db2.gz AKSFIHLJAXFOSP-VIFPVBQESA-N 0 3 202.298 0.073 20 0 BCADHN CSCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000360237628 387248001 /nfs/dbraw/zinc/24/80/01/387248001.db2.gz KLZBYSISLKKQDG-UWVGGRQHSA-N 0 3 244.360 0.329 20 0 BCADHN CCCCN(C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000367157396 387249022 /nfs/dbraw/zinc/24/90/22/387249022.db2.gz HUAICVISKAVXTP-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN Cn1ccnc(N2CC[C@H](N3CCCC3)C2)c1=O ZINC000371805544 387252056 /nfs/dbraw/zinc/25/20/56/387252056.db2.gz NLZMVHSYTUZLLR-NSHDSACASA-N 0 3 248.330 0.455 20 0 BCADHN C[C@H](CF)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000353393100 387194710 /nfs/dbraw/zinc/19/47/10/387194710.db2.gz FRNQMPLGPADGCM-RKDXNWHRSA-N 0 3 229.299 0.880 20 0 BCADHN CC[C@@](C)(CO)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000571896316 387195834 /nfs/dbraw/zinc/19/58/34/387195834.db2.gz XFFUMOPGHPAZJB-AAEUAGOBSA-N 0 3 242.363 0.948 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCCCO1 ZINC000120926976 387198916 /nfs/dbraw/zinc/19/89/16/387198916.db2.gz MGPQVRACSNSLDM-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN COCC[C@H](CO)N[C@H](C)c1cn[nH]c1 ZINC000285251581 387252441 /nfs/dbraw/zinc/25/24/41/387252441.db2.gz QAQIZFGNKFHWQQ-PSASIEDQSA-N 0 3 213.281 0.458 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CCCN1C(C)=O ZINC000354020466 387313023 /nfs/dbraw/zinc/31/30/23/387313023.db2.gz RFFGQELTFQRTCQ-LLVKDONJSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@@H](NC[C@H]1CNCCN1C)c1ccco1 ZINC000423466943 387315851 /nfs/dbraw/zinc/31/58/51/387315851.db2.gz ABHQNGKCAPTIDQ-GHMZBOCLSA-N 0 3 223.320 0.834 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@H](OCc2ccncc2)C1 ZINC000353665189 387254250 /nfs/dbraw/zinc/25/42/50/387254250.db2.gz RNXDENNUMFDHFV-JQWIXIFHSA-N 0 3 249.314 0.546 20 0 BCADHN Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H](C)N ZINC000353682991 387259398 /nfs/dbraw/zinc/25/93/98/387259398.db2.gz RXOXFSLKDMORFB-RQJHMYQMSA-N 0 3 225.292 0.686 20 0 BCADHN C[C@@H](O)CCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000114829673 387261665 /nfs/dbraw/zinc/26/16/65/387261665.db2.gz FGCQBDSXOQKIOC-VHSXEESVSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@H](N)C(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000336437207 387263117 /nfs/dbraw/zinc/26/31/17/387263117.db2.gz QNQDJHRRZOMIDZ-CMPLNLGQSA-N 0 3 234.299 0.934 20 0 BCADHN CCCCN1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000120696281 387263256 /nfs/dbraw/zinc/26/32/56/387263256.db2.gz HBLVIDSFRDSCTK-LLVKDONJSA-N 0 3 246.376 0.943 20 0 BCADHN CC[C@](C)(NCc1ccc(CO)cc1)C(N)=O ZINC000301757017 387264721 /nfs/dbraw/zinc/26/47/21/387264721.db2.gz GYNFLTBVBMZHCG-ZDUSSCGKSA-N 0 3 236.315 0.923 20 0 BCADHN C[C@@H](NC(=O)C1(N)CC1)[C@H](O)Cc1ccccc1 ZINC000353764193 387269565 /nfs/dbraw/zinc/26/95/65/387269565.db2.gz DPQSVTKXBOFTPW-ZYHUDNBSSA-N 0 3 248.326 0.586 20 0 BCADHN CCN(C)CCNCc1c(C)cnn1C ZINC000285506841 387270597 /nfs/dbraw/zinc/27/05/97/387270597.db2.gz QNHYGDCSASBPNV-UHFFFAOYSA-N 0 3 210.325 0.770 20 0 BCADHN CC(C(=O)N[C@@H]1CC[C@H](F)C1)S(C)(=O)=O ZINC000360361768 387271433 /nfs/dbraw/zinc/27/14/33/387271433.db2.gz LRFGVUBPNMQGIG-GJMOJQLCSA-N 0 3 237.296 0.426 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC000336443838 387272478 /nfs/dbraw/zinc/27/24/78/387272478.db2.gz QLGOFHWQFBQDDC-NSHDSACASA-N 0 3 237.303 0.770 20 0 BCADHN COC[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000372116589 387274534 /nfs/dbraw/zinc/27/45/34/387274534.db2.gz PPFZUMHSLNUVMK-ZYHUDNBSSA-N 0 3 244.310 0.573 20 0 BCADHN C[C@H](Cn1nc2ccccn2c1=O)N(C)C ZINC000336446787 387276500 /nfs/dbraw/zinc/27/65/00/387276500.db2.gz UXKOBALFORIECL-SECBINFHSA-N 0 3 220.276 0.446 20 0 BCADHN COC(C)(C)CNC(=O)N[C@@H](C)CN(C)C ZINC000353835568 387276606 /nfs/dbraw/zinc/27/66/06/387276606.db2.gz MTMJFGNTIKJECD-VIFPVBQESA-N 0 3 231.340 0.661 20 0 BCADHN CC(C)(C)[C@@H]1CCN([C@H]2CC(=O)NC2=O)C1 ZINC000514737880 387284507 /nfs/dbraw/zinc/28/45/07/387284507.db2.gz SAALYEHNMMNCEF-BDAKNGLRSA-N 0 3 224.304 0.770 20 0 BCADHN C[C@H](N)C(=O)N1CCC(Nc2cccnc2)CC1 ZINC000360445687 387286249 /nfs/dbraw/zinc/28/62/49/387286249.db2.gz HXCRMHXGEVSTHV-JTQLQIEISA-N 0 3 248.330 0.832 20 0 BCADHN COC[C@H]1CCN1C(=O)C1CCN(C)CC1 ZINC000354040718 387318113 /nfs/dbraw/zinc/31/81/13/387318113.db2.gz ZQMSAIYBGSTEOR-LLVKDONJSA-N 0 3 226.320 0.576 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000459762890 387289968 /nfs/dbraw/zinc/28/99/68/387289968.db2.gz WCSTXTXCSOKRGY-VCDKRKBESA-N 0 3 240.347 0.615 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)NCC1CC1 ZINC000121074952 387290719 /nfs/dbraw/zinc/29/07/19/387290719.db2.gz PMPCOIYPIYDHBZ-LLVKDONJSA-N 0 3 229.324 0.008 20 0 BCADHN Cn1cc(CC(=O)N2CCNC(C)(C)C2)cn1 ZINC000336463280 387292782 /nfs/dbraw/zinc/29/27/82/387292782.db2.gz XPAOMSKDFFURON-UHFFFAOYSA-N 0 3 236.319 0.173 20 0 BCADHN Cn1nncc1CN[C@]1(C)CCO[C@@H]1C1CC1 ZINC000372343650 387294459 /nfs/dbraw/zinc/29/44/59/387294459.db2.gz BMZBZMVEZDCBNS-VXGBXAGGSA-N 0 3 236.319 0.862 20 0 BCADHN C[C@@H]1CC[C@H]1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000514808953 387294535 /nfs/dbraw/zinc/29/45/35/387294535.db2.gz KLRLQBHFTRWSRJ-FOGDFJRCSA-N 0 3 241.335 0.151 20 0 BCADHN NS(=O)(=O)[C@H]1CCN(C[C@@H]2CC=CCC2)C1 ZINC000336468007 387296135 /nfs/dbraw/zinc/29/61/35/387296135.db2.gz ANLKMAVDRUMYSB-MNOVXSKESA-N 0 3 244.360 0.706 20 0 BCADHN CCO[C@@H]1C[C@H](NC[C@@H](O)CSC)[C@@H]1OC ZINC000514857094 387297177 /nfs/dbraw/zinc/29/71/77/387297177.db2.gz WONFOMCVNSFGPS-YTWAJWBKSA-N 0 3 249.376 0.492 20 0 BCADHN CN[C@@H](C)C(=O)N(C[C@H](C)OC)C(C)C ZINC000514873647 387302542 /nfs/dbraw/zinc/30/25/42/387302542.db2.gz UNKMYSQYKZOUMT-UWVGGRQHSA-N 0 3 216.325 0.866 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[NH2+]C2)o1 ZINC000336477002 387303883 /nfs/dbraw/zinc/30/38/83/387303883.db2.gz PFMKDZRZKKXCQH-VIFPVBQESA-N 0 3 244.316 0.618 20 0 BCADHN CCCc1nnc(NC(=O)[C@@H](C)N)s1 ZINC000261530032 387306118 /nfs/dbraw/zinc/30/61/18/387306118.db2.gz XGXLQDHHPMSMNK-RXMQYKEDSA-N 0 3 214.294 0.776 20 0 BCADHN COCC1(NC(=O)CNC[C@@H]2CCCO2)CC1 ZINC000514932218 387308067 /nfs/dbraw/zinc/30/80/67/387308067.db2.gz GQVCLPPVLHNOBA-JTQLQIEISA-N 0 3 242.319 0.050 20 0 BCADHN CC(C(=O)N1C2CCC1CC2)S(C)(=O)=O ZINC000515287569 387356676 /nfs/dbraw/zinc/35/66/76/387356676.db2.gz AIXPYZBNKXBNRZ-AFPNSQJFSA-N 0 3 231.317 0.573 20 0 BCADHN CC[C@@H](C(=O)N(C)C1CC(O)C1)N(C)C ZINC000354298597 387357654 /nfs/dbraw/zinc/35/76/54/387357654.db2.gz UGZFXSJRKPAIIW-RTBKNWGFSA-N 0 3 214.309 0.308 20 0 BCADHN CC[C@](C)(NCCn1ccnc1C)C(N)=O ZINC000303492058 387363262 /nfs/dbraw/zinc/36/32/62/387363262.db2.gz JANVLTOKFIBUDT-NSHDSACASA-N 0 3 224.308 0.435 20 0 BCADHN Cc1nc(CN[C@@H]2CC[C@H](C(N)=O)C2)[nH]c1C ZINC000515339623 387366918 /nfs/dbraw/zinc/36/69/18/387366918.db2.gz NYLXOXYBIGTMBP-VHSXEESVSA-N 0 3 236.319 0.770 20 0 BCADHN CCOC(=O)C1(CNC(=O)C(C)(C)N)CCC1 ZINC000515350979 387371041 /nfs/dbraw/zinc/37/10/41/387371041.db2.gz OGKWXVCJPNGRJG-UHFFFAOYSA-N 0 3 242.319 0.573 20 0 BCADHN CCC[C@H](C(=O)NCC(F)(F)CN)N(C)C ZINC000423550323 387372739 /nfs/dbraw/zinc/37/27/39/387372739.db2.gz SUKDXJMHOODXBU-MRVPVSSYSA-N 0 3 237.294 0.427 20 0 BCADHN Cc1c(CN2C[C@H](O)C[C@H]2C)cnn1C ZINC000336554316 387377217 /nfs/dbraw/zinc/37/72/17/387377217.db2.gz YXHZHNPCLOFYLM-LDYMZIIASA-N 0 3 209.293 0.684 20 0 BCADHN CC(C)[C@H]1C(=O)NCCN1C[C@H]1CCCOC1 ZINC000336555014 387378093 /nfs/dbraw/zinc/37/80/93/387378093.db2.gz CMSKWXVPWJJTGK-NEPJUHHUSA-N 0 3 240.347 0.869 20 0 BCADHN CO[C@H](C)CN(CC(=O)N1CCC1)C(C)C ZINC000354468764 387380438 /nfs/dbraw/zinc/38/04/38/387380438.db2.gz XZAQRKWLPNRQHH-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CO[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC000360980847 387381088 /nfs/dbraw/zinc/38/10/88/387381088.db2.gz CKCUGRPNGDHVAR-JTQLQIEISA-N 0 3 214.309 0.574 20 0 BCADHN CC(=O)CCN1CCC(c2nnc[nH]2)CC1 ZINC000372680818 387320600 /nfs/dbraw/zinc/32/06/00/387320600.db2.gz NCBYHQRCBJEYRB-UHFFFAOYSA-N 0 3 222.292 0.963 20 0 BCADHN CCS(=O)(=O)C(C)C(=O)N1CCCCC1 ZINC000195587389 387322683 /nfs/dbraw/zinc/32/26/83/387322683.db2.gz LSTJTFFOAOBWFM-VIFPVBQESA-N 0 3 233.333 0.822 20 0 BCADHN Cc1c([C@H](C)NC[C@@H]2COCCO2)cnn1C ZINC000352557377 387324726 /nfs/dbraw/zinc/32/47/26/387324726.db2.gz NCVJZSIVOLUOMP-GXSJLCMTSA-N 0 3 239.319 0.795 20 0 BCADHN CN(C)[C@H](CNCCC(N)=O)c1ccco1 ZINC000390431327 387327206 /nfs/dbraw/zinc/32/72/06/387327206.db2.gz ADMABHDRFNSTQX-SECBINFHSA-N 0 3 225.292 0.347 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1c[nH]cn1 ZINC000354081904 387327385 /nfs/dbraw/zinc/32/73/85/387327385.db2.gz IYBNTKUZMNBTNX-UHFFFAOYSA-N 0 3 222.292 0.576 20 0 BCADHN CCC[C@@H](C)[C@@H](CO)NCC(=O)NCC ZINC000515063561 387329602 /nfs/dbraw/zinc/32/96/02/387329602.db2.gz WWNXXLREDSIMLA-NXEZZACHSA-N 0 3 216.325 0.509 20 0 BCADHN CN(C(=O)[C@@]1(F)CCNC1)C1CCC1 ZINC000306228921 387330065 /nfs/dbraw/zinc/33/00/65/387330065.db2.gz GKKOBJUMZXIOKE-SNVBAGLBSA-N 0 3 200.257 0.699 20 0 BCADHN CC(C)NC(=O)CN[C@@H](C)[C@@H](C)CO ZINC000164898645 387331411 /nfs/dbraw/zinc/33/14/11/387331411.db2.gz AQMUUGHTYNWURC-IUCAKERBSA-N 0 3 202.298 0.118 20 0 BCADHN C[C@H](O)CN[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000572393558 387382921 /nfs/dbraw/zinc/38/29/21/387382921.db2.gz OTPKMUKFCKJTDT-QWRGUYRKSA-N 0 3 240.347 0.890 20 0 BCADHN CCC[C@@H]1CN(C(=O)[C@H](C)NC)CCO1 ZINC000515071391 387332661 /nfs/dbraw/zinc/33/26/61/387332661.db2.gz FYTCTPJPJHDXLI-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@]12CCN(CC3(CO)COC3)C[C@H]1C2(F)F ZINC000515114491 387335502 /nfs/dbraw/zinc/33/55/02/387335502.db2.gz MLNSXCKHGXCLLA-ZJUUUORDSA-N 0 3 247.285 0.972 20 0 BCADHN Cc1cnn(C)c1CNC[C@@H]1CCC[C@H]1O ZINC000286688427 387336288 /nfs/dbraw/zinc/33/62/88/387336288.db2.gz VWAZEVBOSUCARB-CMPLNLGQSA-N 0 3 223.320 0.979 20 0 BCADHN CCN(CC)CC(=O)NC[C@@]1(C)CCOC1 ZINC000354154437 387338513 /nfs/dbraw/zinc/33/85/13/387338513.db2.gz BMJBXJRJFQRMDP-GFCCVEGCSA-N 0 3 228.336 0.871 20 0 BCADHN CC(C)[C@@H](O)CN(C)[C@H]1CCCCNC1=O ZINC000373000647 387339318 /nfs/dbraw/zinc/33/93/18/387339318.db2.gz NOQBJDQDGJABFP-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1cnn(C)c1CNC1(CO)CCC1 ZINC000286770064 387342105 /nfs/dbraw/zinc/34/21/05/387342105.db2.gz ZTUNUHHFNNKQJD-UHFFFAOYSA-N 0 3 209.293 0.733 20 0 BCADHN CC(=O)NCCCNCc1cnc(C)n1C ZINC000515171248 387343236 /nfs/dbraw/zinc/34/32/36/387343236.db2.gz MHDKIHSFBIAQJF-UHFFFAOYSA-N 0 3 224.308 0.344 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)CC1CCN(C)CC1 ZINC000352588479 387344253 /nfs/dbraw/zinc/34/42/53/387344253.db2.gz CWGNAFIKFUFYIX-GFCCVEGCSA-N 0 3 242.363 0.804 20 0 BCADHN CSC[C@@H](O)CNCCNC(=O)C(C)(C)C ZINC000572356635 387344501 /nfs/dbraw/zinc/34/45/01/387344501.db2.gz QACOJMDWFQUKHM-VIFPVBQESA-N 0 3 248.392 0.462 20 0 BCADHN COC(=O)CCNC(=O)CN1C[C@H](C)C[C@@H]1C ZINC000354220219 387348139 /nfs/dbraw/zinc/34/81/39/387348139.db2.gz GJOZEMKEGZELDD-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@@H]1CC[C@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000572371666 387349474 /nfs/dbraw/zinc/34/94/74/387349474.db2.gz ITJJQLMXBFLTMM-KXUCPTDWSA-N 0 3 227.308 0.073 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@](O)(C2CC2)C1 ZINC000373242746 387351308 /nfs/dbraw/zinc/35/13/08/387351308.db2.gz HLMDJYKAOOPVBC-LBPRGKRZSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CC[C@](O)(C2CC2)C1 ZINC000373247554 387351615 /nfs/dbraw/zinc/35/16/15/387351615.db2.gz RKDLQRKSVXIUGA-TVQRCGJNSA-N 0 3 238.331 0.500 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H]2OCC[C@H]2C1 ZINC000373253331 387351822 /nfs/dbraw/zinc/35/18/22/387351822.db2.gz DTARRLQTBWFZSZ-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC1CCC(O)CC1 ZINC000354728916 387424311 /nfs/dbraw/zinc/42/43/11/387424311.db2.gz LWQRHTDGKYIHGG-KPPDAEKUSA-N 0 3 243.351 0.539 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000354739440 387425232 /nfs/dbraw/zinc/42/52/32/387425232.db2.gz YMCIFVTXJWQRHE-SRVKXCTJSA-N 0 3 240.347 0.556 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000354739441 387425610 /nfs/dbraw/zinc/42/56/10/387425610.db2.gz YMCIFVTXJWQRHE-TUAOUCFPSA-N 0 3 240.347 0.556 20 0 BCADHN CCC[C@@H]1CN(C(=O)CNCCOC)CCO1 ZINC000423782715 387425671 /nfs/dbraw/zinc/42/56/71/387425671.db2.gz ZXBXQDXGAFSLHM-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN CCC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)OC ZINC000423795611 387426955 /nfs/dbraw/zinc/42/69/55/387426955.db2.gz GFERXAJFTXLSJJ-IUCAKERBSA-N 0 3 230.308 0.428 20 0 BCADHN CCC[C@@H](NC(=O)[C@H](N)C(C)C)C(=O)OC ZINC000423795612 387427088 /nfs/dbraw/zinc/42/70/88/387427088.db2.gz GFERXAJFTXLSJJ-RKDXNWHRSA-N 0 3 230.308 0.428 20 0 BCADHN CCC[C@H](N)C(=O)N1CCNC(=O)[C@H]1CCC ZINC000423790305 387427639 /nfs/dbraw/zinc/42/76/39/387427639.db2.gz GHHLMFVODAXJBH-VHSXEESVSA-N 0 3 241.335 0.241 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@H]2C[C@H](F)CN2)CC[C@@H]1C ZINC000423794772 387428120 /nfs/dbraw/zinc/42/81/20/387428120.db2.gz YKGFPJHKCBQQRD-UKKRHICBSA-N 0 3 244.310 0.570 20 0 BCADHN CCC[C@@H](NC(=O)C1(N)CCCC1)C(=O)OC ZINC000423800552 387429588 /nfs/dbraw/zinc/42/95/88/387429588.db2.gz MURDYGVGRJAOML-SECBINFHSA-N 0 3 242.319 0.716 20 0 BCADHN COC[C@@H]1CN(C(=O)[C@@H](N)C(C)C)C[C@@H](C)O1 ZINC000423811961 387431362 /nfs/dbraw/zinc/43/13/62/387431362.db2.gz CGLUWBYONFIWFD-VWYCJHECSA-N 0 3 244.335 0.232 20 0 BCADHN COC(=O)C1(CNC(=O)[C@@H](C)N)CCCCC1 ZINC000423831123 387433270 /nfs/dbraw/zinc/43/32/70/387433270.db2.gz BTXGMVMZRFFFSE-SECBINFHSA-N 0 3 242.319 0.573 20 0 BCADHN CCOC[C@@H]1CCN([C@@H]2COC[C@H]2O)C1 ZINC000361310672 387435923 /nfs/dbraw/zinc/43/59/23/387435923.db2.gz UTEOCLJUIQOFIV-GMTAPVOTSA-N 0 3 215.293 0.105 20 0 BCADHN C[C@H]1CCN(CC(=O)NC[C@H]2CCC[C@@H]2O)C1 ZINC000515867034 387436433 /nfs/dbraw/zinc/43/64/33/387436433.db2.gz GLOXADXVOJUVIL-TUAOUCFPSA-N 0 3 240.347 0.605 20 0 BCADHN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](C)N ZINC000423854626 387436571 /nfs/dbraw/zinc/43/65/71/387436571.db2.gz UZCJLZPHGPAPKN-KYXWUPHJSA-N 0 3 240.303 0.134 20 0 BCADHN CN([C@@H]1CCC[C@H]1O)[C@@H]1CCCNC1=O ZINC000352688599 387436896 /nfs/dbraw/zinc/43/68/96/387436896.db2.gz BPXQRGXPIRKATE-OPRDCNLKSA-N 0 3 212.293 0.110 20 0 BCADHN CCc1ccnc(C(=O)NC[C@H]2CNCCO2)c1 ZINC000423989864 387461689 /nfs/dbraw/zinc/46/16/89/387461689.db2.gz IYSFMBXJTDCKTB-LLVKDONJSA-N 0 3 249.314 0.362 20 0 BCADHN CC[C@H]1COCCN1CCN1CCCOCC1 ZINC000361308433 387437170 /nfs/dbraw/zinc/43/71/70/387437170.db2.gz LUUWLIQHGYJSHK-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)[C@@H]1CSCN1 ZINC000423852164 387438271 /nfs/dbraw/zinc/43/82/71/387438271.db2.gz SBTKVUXVJVASHW-JTQLQIEISA-N 0 3 243.376 0.202 20 0 BCADHN COC(=O)CNC(=O)CN1C[C@@H](C)C[C@H]1C ZINC000354869287 387439889 /nfs/dbraw/zinc/43/98/89/387439889.db2.gz OELGNUIINLKALC-DTWKUNHWSA-N 0 3 228.292 0.006 20 0 BCADHN C[C@@H](CN(C)C)Nc1nc(C(N)=O)cs1 ZINC000293030511 387440734 /nfs/dbraw/zinc/44/07/34/387440734.db2.gz LEELLJOMJBZAOE-LURJTMIESA-N 0 3 228.321 0.604 20 0 BCADHN C[C@H](CN(C)[C@H]1COC[C@@H]1O)c1nccs1 ZINC000361333478 387441265 /nfs/dbraw/zinc/44/12/65/387441265.db2.gz AXWLBJXPQGJEIA-UTLUCORTSA-N 0 3 242.344 0.938 20 0 BCADHN O=C(COC1CNC1)NCC1(C2CC2)CCC1 ZINC000423869748 387441513 /nfs/dbraw/zinc/44/15/13/387441513.db2.gz CNAGBPRRAGQROY-UHFFFAOYSA-N 0 3 238.331 0.671 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000423877535 387441659 /nfs/dbraw/zinc/44/16/59/387441659.db2.gz QOMNQDZWACIPRC-VWYCJHECSA-N 0 3 242.363 0.979 20 0 BCADHN CC(C)[C@@H](O)C(C)(C)CNC(=O)C(C)(C)N ZINC000423877042 387441855 /nfs/dbraw/zinc/44/18/55/387441855.db2.gz JLWCYBZSMAEELH-SECBINFHSA-N 0 3 230.352 0.883 20 0 BCADHN CCC[C@H](N)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000423873652 387442134 /nfs/dbraw/zinc/44/21/34/387442134.db2.gz QZVHJYRRWZKAFX-GARJFASQSA-N 0 3 228.336 0.733 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000423871092 387442392 /nfs/dbraw/zinc/44/23/92/387442392.db2.gz KEFGMDUFZDAYDN-IVZWLZJFSA-N 0 3 228.336 0.589 20 0 BCADHN CCO[C@@H]1C[C@H](NC(=O)[C@@H](N)CC)[C@H]1OC ZINC000423874101 387443073 /nfs/dbraw/zinc/44/30/73/387443073.db2.gz CDXQWIRBFWOKNV-AXTSPUMRSA-N 0 3 230.308 0.032 20 0 BCADHN Cc1nnc(NC(=O)[C@]2(C)CCCCN2)n1C ZINC000423878831 387444247 /nfs/dbraw/zinc/44/42/47/387444247.db2.gz NYQFRMZSKHDHSC-NSHDSACASA-N 0 3 237.307 0.594 20 0 BCADHN Cc1nnc(NC(=O)[C@H]2C[C@H](C)CCN2)n1C ZINC000423882106 387445277 /nfs/dbraw/zinc/44/52/77/387445277.db2.gz SFEURPXRZVUCFK-VXNVDRBHSA-N 0 3 237.307 0.450 20 0 BCADHN CCCCN(CCCO)[C@@H]1COC[C@H]1O ZINC000361356153 387446341 /nfs/dbraw/zinc/44/63/41/387446341.db2.gz PODMTIGHNWCVII-GHMZBOCLSA-N 0 3 217.309 0.231 20 0 BCADHN CO[C@@H]1CCN(CCC(=O)NC(C)C)C1 ZINC000361361912 387446485 /nfs/dbraw/zinc/44/64/85/387446485.db2.gz MXHYWSLTAKARDY-SNVBAGLBSA-N 0 3 214.309 0.622 20 0 BCADHN O=C(CN1CC[C@@H]([C@H]2CCOC2)C1)NC1CC1 ZINC000374390573 387447550 /nfs/dbraw/zinc/44/75/50/387447550.db2.gz ICKDACLKUMVZIK-MNOVXSKESA-N 0 3 238.331 0.623 20 0 BCADHN CCO[C@@H]1C[C@H](NC(=O)[C@H](N)C(C)C)[C@@H]1OC ZINC000423907334 387448519 /nfs/dbraw/zinc/44/85/19/387448519.db2.gz XWQUKUWCHACUET-ZDCRXTMVSA-N 0 3 244.335 0.278 20 0 BCADHN CC(C)[C@H]1CN([C@@H](C)C(=O)N(C)C)CCN1C ZINC000336606003 387448615 /nfs/dbraw/zinc/44/86/15/387448615.db2.gz WPOPXBUMBHIVEB-NWDGAFQWSA-N 0 3 241.379 0.735 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)[C@@H](C)NC1CC1 ZINC000423915659 387448755 /nfs/dbraw/zinc/44/87/55/387448755.db2.gz BAKVLPLYBPIOGD-YIZRAAEISA-N 0 3 214.309 0.667 20 0 BCADHN CCO[C@H]1C[C@H](N(C)C(=O)CN)C12CCC2 ZINC000423904005 387448963 /nfs/dbraw/zinc/44/89/63/387448963.db2.gz NPGMPSCTBJYOSM-UWVGGRQHSA-N 0 3 226.320 0.751 20 0 BCADHN CCO[C@@H]1C[C@H](NC(=O)[C@@H](N)C(C)C)[C@@H]1OC ZINC000423907333 387449305 /nfs/dbraw/zinc/44/93/05/387449305.db2.gz XWQUKUWCHACUET-VLEAKVRGSA-N 0 3 244.335 0.278 20 0 BCADHN C(CN1CCCOCC1)N1CCOCC12CC2 ZINC000361377929 387449636 /nfs/dbraw/zinc/44/96/36/387449636.db2.gz JNWUFVHANHRTIY-UHFFFAOYSA-N 0 3 240.347 0.574 20 0 BCADHN CC[C@@H]1C[C@H](NC(=O)[C@@H](C)N)CCO1 ZINC000516059506 387452308 /nfs/dbraw/zinc/45/23/08/387452308.db2.gz INQUYYNWFKAYGE-IWSPIJDZSA-N 0 3 200.282 0.407 20 0 BCADHN C[C@H](O)CCN(C)CCN1CCCC1=O ZINC000304302701 387462260 /nfs/dbraw/zinc/46/22/60/387462260.db2.gz IKDSXBYHBWTJHY-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)C(N)C(F)(F)F ZINC000423927273 387452631 /nfs/dbraw/zinc/45/26/31/387452631.db2.gz QRJDTGHBPANFIE-ZLUOBGJFSA-N 0 3 228.214 0.416 20 0 BCADHN COCCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC000516102171 387453335 /nfs/dbraw/zinc/45/33/35/387453335.db2.gz UZMXHRZUDQEBRV-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CCC[C@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000374451331 387454583 /nfs/dbraw/zinc/45/45/83/387454583.db2.gz GURWXDRYYZDQFL-PSIUFMSWSA-N 0 3 240.347 0.733 20 0 BCADHN COC[C@H](O)CNCc1cnc2c(C)cccn12 ZINC000304282912 387456740 /nfs/dbraw/zinc/45/67/40/387456740.db2.gz HTAIXZLGWCBHPD-GFCCVEGCSA-N 0 3 249.314 0.740 20 0 BCADHN C[C@H]1CCN(CC(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000516085653 387458587 /nfs/dbraw/zinc/45/85/87/387458587.db2.gz QMHVFJMFBXUTKC-UXCLJVHYSA-N 0 3 224.304 0.089 20 0 BCADHN Cc1ncc(C(=O)N2CCN[C@@H](C)[C@H]2C)c(C)n1 ZINC000423602742 387385488 /nfs/dbraw/zinc/38/54/88/387385488.db2.gz HKNUABLJIFSZBW-WCBMZHEXSA-N 0 3 248.330 0.916 20 0 BCADHN CN1CC=C(CNC(=O)COC(F)F)CC1 ZINC000354538234 387391309 /nfs/dbraw/zinc/39/13/09/387391309.db2.gz LFPYYWQSGUGLIZ-UHFFFAOYSA-N 0 3 234.246 0.604 20 0 BCADHN COC[C@@H](NC(=O)N[C@H](C)CN(C)C)C1CC1 ZINC000354532576 387392643 /nfs/dbraw/zinc/39/26/43/387392643.db2.gz KAAAPRAMIJUAGR-MWLCHTKSSA-N 0 3 243.351 0.661 20 0 BCADHN CN(C)Cc1ccccc1C(=O)N1CC(C)(O)C1 ZINC000336568220 387393654 /nfs/dbraw/zinc/39/36/54/387393654.db2.gz IFRFSKNUALBTIW-UHFFFAOYSA-N 0 3 248.326 0.955 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC[C@@H](C)O ZINC000082996129 387393812 /nfs/dbraw/zinc/39/38/12/387393812.db2.gz UTFBJLDTXJSRGO-HLTSFMKQSA-N 0 3 202.298 0.247 20 0 BCADHN C[C@H](C[C@H](C)O)NCc1cnc2cnccn12 ZINC000361043992 387394923 /nfs/dbraw/zinc/39/49/23/387394923.db2.gz QNANMIZHVHHUEN-ZJUUUORDSA-N 0 3 234.303 0.978 20 0 BCADHN COC[C@@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000354613216 387403685 /nfs/dbraw/zinc/40/36/85/387403685.db2.gz BUNYKYXDYGEUDA-ZJUUUORDSA-N 0 3 229.324 0.415 20 0 BCADHN CCN(CC(=O)OC)C(=O)C1(N)CCCCC1 ZINC000423738771 387404069 /nfs/dbraw/zinc/40/40/69/387404069.db2.gz GWIXSPJVKCDZHK-UHFFFAOYSA-N 0 3 242.319 0.670 20 0 BCADHN NC1(C(=O)NCCc2ccccc2O)CCC1 ZINC000423737735 387405059 /nfs/dbraw/zinc/40/50/59/387405059.db2.gz DDFSWIUHNFWVCZ-UHFFFAOYSA-N 0 3 234.299 0.932 20 0 BCADHN CO[C@H](C)CCNC(=O)N[C@@H](C)CN(C)C ZINC000352645545 387406236 /nfs/dbraw/zinc/40/62/36/387406236.db2.gz ISLXSPLHFGUKGU-VHSXEESVSA-N 0 3 231.340 0.661 20 0 BCADHN CC[C@H](N)C(=O)N(C[C@H](C)C(=O)OC)C1CC1 ZINC000423745578 387406865 /nfs/dbraw/zinc/40/68/65/387406865.db2.gz PZEGFXVZXBWMNF-WPRPVWTQSA-N 0 3 242.319 0.524 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@@]1(C)CCCCN1 ZINC000423745995 387406953 /nfs/dbraw/zinc/40/69/53/387406953.db2.gz QRZCKJWTFUEMOE-GFCCVEGCSA-N 0 3 242.319 0.540 20 0 BCADHN CCN(C)C(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN ZINC000423741801 387407515 /nfs/dbraw/zinc/40/75/15/387407515.db2.gz TXLOTDGVGLNGNY-UWVGGRQHSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@H](NC(=O)COC(F)F)C1=CCN(C)CC1 ZINC000354648677 387411529 /nfs/dbraw/zinc/41/15/29/387411529.db2.gz DYIYILPHXFCOMH-QMMMGPOBSA-N 0 3 248.273 0.992 20 0 BCADHN NCC(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000423753363 387411615 /nfs/dbraw/zinc/41/16/15/387411615.db2.gz BPTUDIFGNXVSRV-CYBMUJFWSA-N 0 3 248.326 0.805 20 0 BCADHN CNCC(=O)N(CCC(=O)OC)C(C)C ZINC000423754051 387411755 /nfs/dbraw/zinc/41/17/55/387411755.db2.gz FIYMULCBUJVPLF-UHFFFAOYSA-N 0 3 216.281 0.006 20 0 BCADHN CCCC[C@@H]([NH3+])C(=O)NCc1ncccc1[O-] ZINC000423756075 387411873 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C[C@@H](CO)CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000356125928 387619545 /nfs/dbraw/zinc/61/95/45/387619545.db2.gz DRJXWQNYVAEUTK-ZJUUUORDSA-N 0 3 243.351 0.397 20 0 BCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN(C)C ZINC000362499096 387621776 /nfs/dbraw/zinc/62/17/76/387621776.db2.gz ODDCBCUROVFWGA-LLVKDONJSA-N 0 3 241.335 0.017 20 0 BCADHN CC(C)C[C@H]1CCN(C(=O)COC2CNC2)C1 ZINC000430515785 387622046 /nfs/dbraw/zinc/62/20/46/387622046.db2.gz GKCYVTXRQVJMBL-LLVKDONJSA-N 0 3 240.347 0.869 20 0 BCADHN CCc1nc(C(=O)NCCN(C)CC)co1 ZINC000356213323 387629596 /nfs/dbraw/zinc/62/95/96/387629596.db2.gz GLUIECNVYVYZTH-UHFFFAOYSA-N 0 3 225.292 0.919 20 0 BCADHN C[C@@H](CO)N(C)C[C@H](O)COCc1ccco1 ZINC000305647595 387623019 /nfs/dbraw/zinc/62/30/19/387623019.db2.gz BBDOQRCPXIYGBT-QWRGUYRKSA-N 0 3 243.303 0.470 20 0 BCADHN CNS(=O)(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000376352052 387623537 /nfs/dbraw/zinc/62/35/37/387623537.db2.gz OGNNMRPDEOPNOI-NXEZZACHSA-N 0 3 247.364 0.009 20 0 BCADHN CCN(C)C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000376344872 387623561 /nfs/dbraw/zinc/62/35/61/387623561.db2.gz VXAPZROHQXWACV-NSHDSACASA-N 0 3 243.351 0.447 20 0 BCADHN C[C@H](CO)N(C)C[C@@H](O)COCc1ccco1 ZINC000305647589 387623613 /nfs/dbraw/zinc/62/36/13/387623613.db2.gz BBDOQRCPXIYGBT-GHMZBOCLSA-N 0 3 243.303 0.470 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)[C@H](O)C1CCC1 ZINC000422040993 387545548 /nfs/dbraw/zinc/54/55/48/387545548.db2.gz SVNNSMRIYLSBIM-NWDGAFQWSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@@H](C(=O)N(C)C[C@@H]1CCCN1C)N(C)C ZINC000422038869 387545746 /nfs/dbraw/zinc/54/57/46/387545746.db2.gz QSDGLYUZQHBILJ-RYUDHWBXSA-N 0 3 241.379 0.879 20 0 BCADHN C[C@@H](CO)N1CCCN(C(=O)C2CC2)CC1 ZINC000375500003 387546351 /nfs/dbraw/zinc/54/63/51/387546351.db2.gz WIUBKYNOMKQVDU-JTQLQIEISA-N 0 3 226.320 0.312 20 0 BCADHN CC(C)[C@H](O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422046274 387548388 /nfs/dbraw/zinc/54/83/88/387548388.db2.gz ZSOBUPXQXNGOKS-QWRGUYRKSA-N 0 3 228.336 0.556 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422046267 387548854 /nfs/dbraw/zinc/54/88/54/387548854.db2.gz ZSOBUPXQXNGOKS-GHMZBOCLSA-N 0 3 228.336 0.556 20 0 BCADHN CN(C)C1(CNC(=O)NCCCCO)CCC1 ZINC000426234499 387549752 /nfs/dbraw/zinc/54/97/52/387549752.db2.gz BYCQROGGNPTEBX-UHFFFAOYSA-N 0 3 243.351 0.542 20 0 BCADHN CC[C@@H](CO)N1CCN(CC2CC2)CC1 ZINC000305094190 387550990 /nfs/dbraw/zinc/55/09/90/387550990.db2.gz ZRHUIGRIODRZAI-LBPRGKRZSA-N 0 3 212.337 0.785 20 0 BCADHN Nc1ccccc1NC(=O)[C@]1(F)CCNC1 ZINC000119444421 387554279 /nfs/dbraw/zinc/55/42/79/387554279.db2.gz LIDJLGCKPVAOQK-NSHDSACASA-N 0 3 223.251 0.909 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@@H](C)c1nncn1C ZINC000037026249 387556717 /nfs/dbraw/zinc/55/67/17/387556717.db2.gz GVZYOYUPZGDXOW-DTWKUNHWSA-N 0 3 239.323 0.366 20 0 BCADHN C[C@@H](O)CN(C)C(=O)NC[C@@H]1CCCN1C ZINC000361992775 387560160 /nfs/dbraw/zinc/56/01/60/387560160.db2.gz KMBJTUTVRFHMAD-ZJUUUORDSA-N 0 3 229.324 0.103 20 0 BCADHN CCO[C@@H]1COCC[C@@H]1NCC(=O)N(C)CC ZINC000362011175 387560824 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387708693 /nfs/dbraw/zinc/70/86/93/387708693.db2.gz SXMDCZXMEJFGNE-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN NC(C(=O)NCc1cocn1)C(F)(F)F ZINC000629614137 387712644 /nfs/dbraw/zinc/71/26/44/387712644.db2.gz YTAXQLRPMCNDNB-RXMQYKEDSA-N 0 3 223.154 0.180 20 0 BCADHN COC[C@H](O)CN(C)CCC(=O)OC(C)(C)C ZINC000127495867 387715378 /nfs/dbraw/zinc/71/53/78/387715378.db2.gz QHRNHQPPSXGTNF-SNVBAGLBSA-N 0 3 247.335 0.657 20 0 BCADHN CCO[C@H]1C[C@@H](NC2COC2)C12CCOCC2 ZINC000377408695 387715492 /nfs/dbraw/zinc/71/54/92/387715492.db2.gz GCRLYRNWGDFXMY-NEPJUHHUSA-N 0 3 241.331 0.949 20 0 BCADHN CCN(C[C@H]1CCCOC1)[C@@H]1CCNC1=O ZINC000440954414 387715829 /nfs/dbraw/zinc/71/58/29/387715829.db2.gz LUKBQEXXWQUADB-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CCOC(=O)CCCN(CC)[C@H]1CCNC1=O ZINC000440955207 387715970 /nfs/dbraw/zinc/71/59/70/387715970.db2.gz JKQLQRQCZFMZRS-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000424141833 387719344 /nfs/dbraw/zinc/71/93/44/387719344.db2.gz XRZISZIYYMCFOQ-KXUCPTDWSA-N 0 3 234.303 0.463 20 0 BCADHN CC(C)COC[C@H](O)CN(C)CCCO ZINC000440969131 387719441 /nfs/dbraw/zinc/71/94/41/387719441.db2.gz OURBAGXMIVXRIL-LLVKDONJSA-N 0 3 219.325 0.334 20 0 BCADHN CCOCCCN(CC)[C@@H]1CCNC1=O ZINC000440961441 387719539 /nfs/dbraw/zinc/71/95/39/387719539.db2.gz AUHTZPCCHAVAQC-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CN1CCC[C@@H](CNC(=O)NCC2COC2)C1 ZINC000527800980 387721342 /nfs/dbraw/zinc/72/13/42/387721342.db2.gz PNJGQDJTWBMSCJ-JTQLQIEISA-N 0 3 241.335 0.274 20 0 BCADHN O=C(NCCO)[C@H]1CCCCN1C1CCCC1 ZINC000431620590 387723054 /nfs/dbraw/zinc/72/30/54/387723054.db2.gz LHXPXSSFJXUZCR-GFCCVEGCSA-N 0 3 240.347 0.892 20 0 BCADHN O=C(CN1CCC[C@H]1C1CC1)N1CCNC1=O ZINC000377534230 387723731 /nfs/dbraw/zinc/72/37/31/387723731.db2.gz QSWIPUNZHASFCT-JTQLQIEISA-N 0 3 237.303 0.413 20 0 BCADHN CO[C@@H]1CCCN(CCN2CCNC2=O)CC1 ZINC000377588067 387726787 /nfs/dbraw/zinc/72/67/87/387726787.db2.gz DQWGHXWIAIBJDK-LLVKDONJSA-N 0 3 241.335 0.513 20 0 BCADHN CC(C)(CN1CCCC1)NCC(=O)N1CCC1 ZINC000452081100 387727897 /nfs/dbraw/zinc/72/78/97/387727897.db2.gz CSYNMSBBCNXGJS-UHFFFAOYSA-N 0 3 239.363 0.683 20 0 BCADHN Cn1cc(CNC[C@H]2CCN2C2CCCC2)nn1 ZINC000527811544 387731041 /nfs/dbraw/zinc/73/10/41/387731041.db2.gz XUOKTKBOYNRSGQ-CYBMUJFWSA-N 0 3 249.362 0.922 20 0 BCADHN COC[C@H]1CCN1C(=O)NC[C@@H]1CCCN1C ZINC000432100605 387755815 /nfs/dbraw/zinc/75/58/15/387755815.db2.gz VNOINPIUSDGQPM-WDEREUQCSA-N 0 3 241.335 0.511 20 0 BCADHN Cn1cc(CNC[C@@H]2CCN2C2CCCC2)nn1 ZINC000527811546 387732179 /nfs/dbraw/zinc/73/21/79/387732179.db2.gz XUOKTKBOYNRSGQ-ZDUSSCGKSA-N 0 3 249.362 0.922 20 0 BCADHN CC[C@H](C)N(C)CCNC(=O)C[S@](=O)CC ZINC000431790836 387733161 /nfs/dbraw/zinc/73/31/61/387733161.db2.gz ZPYCFXMJPLADJM-MGPLVRAMSA-N 0 3 248.392 0.602 20 0 BCADHN Cc1noc(C)c1CN1CC[C@@H](CC(N)=O)C1 ZINC000377609354 387734288 /nfs/dbraw/zinc/73/42/88/387734288.db2.gz YSAXHFVLMCBFNV-JTQLQIEISA-N 0 3 237.303 0.989 20 0 BCADHN CN(C)CCN(C(=O)c1ccc[nH]c1=O)C1CC1 ZINC000356882320 387738401 /nfs/dbraw/zinc/73/84/01/387738401.db2.gz YGKQNLARXMYSPF-UHFFFAOYSA-N 0 3 249.314 0.953 20 0 BCADHN CCNC(=O)CN1CCN(CC2CCC2)CC1 ZINC000441261006 387741296 /nfs/dbraw/zinc/74/12/96/387741296.db2.gz NDJFXYPTHMRANK-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN CC(C)(C)C[C@@H](O)CNC(=O)[C@]1(F)CCNC1 ZINC000378209967 387771221 /nfs/dbraw/zinc/77/12/21/387771221.db2.gz BPOBRABSNPJPIG-SKDRFNHKSA-N 0 3 246.326 0.601 20 0 BCADHN CN1C(=O)C[C@H](N2CC[C@@H](C3CC3)C2)C1=O ZINC000378304376 387774573 /nfs/dbraw/zinc/77/45/73/387774573.db2.gz HDLQQRKCSIYFJT-ZJUUUORDSA-N 0 3 222.288 0.476 20 0 BCADHN CO[C@]1(C)CCCN([C@H](C)C(N)=O)C1 ZINC000300238747 387774950 /nfs/dbraw/zinc/77/49/50/387774950.db2.gz RRPGXNHTHDUVEN-PSASIEDQSA-N 0 3 200.282 0.361 20 0 BCADHN COc1ccccc1CC(=O)NCCN(C)C ZINC000047652995 387776859 /nfs/dbraw/zinc/77/68/59/387776859.db2.gz CEYGANOIFPWTQE-UHFFFAOYSA-N 0 3 236.315 0.916 20 0 BCADHN COC(=O)C1(O)CCN(CCC(C)(C)O)CC1 ZINC000378358441 387778039 /nfs/dbraw/zinc/77/80/39/387778039.db2.gz GIDJOMBVEOHRMH-UHFFFAOYSA-N 0 3 245.319 0.147 20 0 BCADHN CC(C(=O)N1CC2CCC1CC2)S(C)(=O)=O ZINC000378392785 387780823 /nfs/dbraw/zinc/78/08/23/387780823.db2.gz ZVJVGHFGQAVFDC-IDKOKCKLSA-N 0 3 245.344 0.821 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000378369536 387782204 /nfs/dbraw/zinc/78/22/04/387782204.db2.gz LGHQNAKEXUONHR-SNVBAGLBSA-N 0 3 232.349 0.553 20 0 BCADHN CCCN(C)CC(=O)NCC[C@H](C)CCO ZINC000452252580 387782587 /nfs/dbraw/zinc/78/25/87/387782587.db2.gz SYDXVTIXFLPVTG-NSHDSACASA-N 0 3 230.352 0.853 20 0 BCADHN CCC[C@H](O)CN1CCSC[C@H]1CCO ZINC000450480068 387785550 /nfs/dbraw/zinc/78/55/50/387785550.db2.gz AAMAUYNBNFLCCS-MNOVXSKESA-N 0 3 233.377 0.947 20 0 BCADHN CCCN(C)CC(=O)N(C)[C@H](CC)CO ZINC000452285244 387788000 /nfs/dbraw/zinc/78/80/00/387788000.db2.gz OBADOMKYOMBTRK-SNVBAGLBSA-N 0 3 216.325 0.558 20 0 BCADHN C[C@H]1CCCN(CCNC(=O)c2cccnn2)C1 ZINC000527974468 387812770 /nfs/dbraw/zinc/81/27/70/387812770.db2.gz XIUOGSCVOUFQDE-NSHDSACASA-N 0 3 248.330 0.938 20 0 BCADHN CCOC1(C)CN(C(=O)[C@H](CC)N(C)C)C1 ZINC000452286026 387791598 /nfs/dbraw/zinc/79/15/98/387791598.db2.gz QJPVRIVQYHJUFM-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@](C)(O)CC ZINC000422980473 387792183 /nfs/dbraw/zinc/79/21/83/387792183.db2.gz PSWLPWSDXAYBMF-HOSYDEDBSA-N 0 3 244.335 0.031 20 0 BCADHN Cc1[nH]ncc1CN1CC(n2ccnn2)C1 ZINC000359992625 387792630 /nfs/dbraw/zinc/79/26/30/387792630.db2.gz HYYQGNDGCSIUQI-UHFFFAOYSA-N 0 3 218.264 0.367 20 0 BCADHN Cc1cnc([C@H](C)NC(=O)[C@@H]2C[C@@H]2N)s1 ZINC000424150951 387793666 /nfs/dbraw/zinc/79/36/66/387793666.db2.gz GVABUPCJBNVECI-RNJXMRFFSA-N 0 3 225.317 0.976 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCOC[C@H]1C)N(C)C ZINC000432459950 387793910 /nfs/dbraw/zinc/79/39/10/387793910.db2.gz BISWMRBFUBCLRY-OUAUKWLOSA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@H]1CCCCN1 ZINC000157444943 387795152 /nfs/dbraw/zinc/79/51/52/387795152.db2.gz YQTDQPNHHLEVAR-VHSXEESVSA-N 0 3 214.309 0.406 20 0 BCADHN Cc1csc(CNC(=O)[C@@H]2C[C@@H]2N)n1 ZINC000050464321 387796650 /nfs/dbraw/zinc/79/66/50/387796650.db2.gz XJAXVKJSDJUXBV-RQJHMYQMSA-N 0 3 211.290 0.415 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@H](N)CCSC ZINC000157447375 387797333 /nfs/dbraw/zinc/79/73/33/387797333.db2.gz RRKHTWSUUILABU-RKDXNWHRSA-N 0 3 234.365 0.344 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC12CC(C1)CO2 ZINC000527983001 387800395 /nfs/dbraw/zinc/80/03/95/387800395.db2.gz PXHKPPXBLSVTDF-IDKOKCKLSA-N 0 3 233.333 0.188 20 0 BCADHN CSCCN[C@H]1C(=O)NCC[C@H]1C ZINC000193661618 387800781 /nfs/dbraw/zinc/80/07/81/387800781.db2.gz WPVGSWXFMOGPTR-HTQZYQBOSA-N 0 3 202.323 0.464 20 0 BCADHN CS[C@@H](CO)[C@H](C)NCc1cncnc1 ZINC000152439219 387801006 /nfs/dbraw/zinc/80/10/06/387801006.db2.gz HGDLSQUPTJFBCX-WPRPVWTQSA-N 0 3 227.333 0.679 20 0 BCADHN OCC[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000051916568 387801158 /nfs/dbraw/zinc/80/11/58/387801158.db2.gz RDTXMIMCBNZCGZ-CYBMUJFWSA-N 0 3 242.363 0.413 20 0 BCADHN O=S1(=O)CCC[C@H](NCC23CC(C2)CO3)C1 ZINC000527986063 387801739 /nfs/dbraw/zinc/80/17/39/387801739.db2.gz UXGDBXLTDDNUHE-YVNMAJEFSA-N 0 3 245.344 0.332 20 0 BCADHN C=Cn1cc(CN2CC[C@@H](CO)C2)cn1 ZINC000193836451 387806987 /nfs/dbraw/zinc/80/69/87/387806987.db2.gz JBMWZKGXHOJOCM-SNVBAGLBSA-N 0 3 207.277 0.798 20 0 BCADHN C=Cn1cc(CN2CC[C@H](CO)C2)cn1 ZINC000193836430 387807499 /nfs/dbraw/zinc/80/74/99/387807499.db2.gz JBMWZKGXHOJOCM-JTQLQIEISA-N 0 3 207.277 0.798 20 0 BCADHN O=C(CC1CC1)NC[C@H]1CCCN1CCCO ZINC000452355860 387808776 /nfs/dbraw/zinc/80/87/76/387808776.db2.gz ZDAXBBYGTXECEE-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN COCC[C@H](CO)NCc1cnc(C)n1C ZINC000521462417 387758221 /nfs/dbraw/zinc/75/82/21/387758221.db2.gz HXCRMHUNZHMZRU-SNVBAGLBSA-N 0 3 227.308 0.216 20 0 BCADHN C[C@H]1CN(Cc2c[nH]cn2)[C@@H](C)CN1CCO ZINC000418116283 387758360 /nfs/dbraw/zinc/75/83/60/387758360.db2.gz QKXJWXZADHSRAJ-QWRGUYRKSA-N 0 3 238.335 0.297 20 0 BCADHN C[C@H]1CN(Cc2cnc[nH]2)[C@@H](C)CN1CCO ZINC000418116283 387758365 /nfs/dbraw/zinc/75/83/65/387758365.db2.gz QKXJWXZADHSRAJ-QWRGUYRKSA-N 0 3 238.335 0.297 20 0 BCADHN CC(C)NC(=O)NCCN1C[C@H](O)[C@@H](C)C1 ZINC000645844574 387820877 /nfs/dbraw/zinc/82/08/77/387820877.db2.gz CEOVGBWCDOYOAN-UWVGGRQHSA-N 0 3 229.324 0.007 20 0 BCADHN CCCN(C)CC(=O)NCCC(C)(C)CO ZINC000452432909 387822420 /nfs/dbraw/zinc/82/24/20/387822420.db2.gz OMOGEKFMDXLXRD-UHFFFAOYSA-N 0 3 230.352 0.853 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000135719753 387822523 /nfs/dbraw/zinc/82/25/23/387822523.db2.gz UNHXMMKBTISZHD-ZJUUUORDSA-N 0 3 241.335 0.241 20 0 BCADHN CC(C)[C@H](O)CN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000432797004 387823757 /nfs/dbraw/zinc/82/37/57/387823757.db2.gz JOCXZCUFBDXRDM-RWMBFGLXSA-N 0 3 244.379 0.390 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H](C)CCCO ZINC000452444312 387826589 /nfs/dbraw/zinc/82/65/89/387826589.db2.gz SAJRCVRDNGDLFQ-NSHDSACASA-N 0 3 230.352 0.853 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000442721742 387828474 /nfs/dbraw/zinc/82/84/74/387828474.db2.gz UJNMCYSMCROEQZ-VHSXEESVSA-N 0 3 241.335 0.241 20 0 BCADHN CO[C@@H](C)CNC(=O)C1CCN(C)CC1 ZINC000442722298 387829144 /nfs/dbraw/zinc/82/91/44/387829144.db2.gz XGZYPIOTNHQTQK-VIFPVBQESA-N 0 3 214.309 0.479 20 0 BCADHN CSC[C@H]1CCCN1CC(=O)N(C)C ZINC000135462679 134747111 /nfs/dbraw/zinc/74/71/11/134747111.db2.gz OHFYFIGAFHMTST-SECBINFHSA-N 0 3 216.350 0.902 20 0 BCADHN COC[C@H](C)CNCc1nnc2n1CCC2 ZINC000309616197 387836161 /nfs/dbraw/zinc/83/61/61/387836161.db2.gz CVPNBYAQTOSJPL-SECBINFHSA-N 0 3 224.308 0.596 20 0 BCADHN Cc1ncc(CN[C@@H]2CCC[C@H]2C[NH3+])c(=O)[n-]1 ZINC000423026106 387844080 /nfs/dbraw/zinc/84/40/80/387844080.db2.gz ALTCIUBREJFWKF-GXSJLCMTSA-N 0 3 236.319 0.708 20 0 BCADHN Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2N)cn1 ZINC000424161766 387844947 /nfs/dbraw/zinc/84/49/47/387844947.db2.gz WBZPISQZIQTBDN-VWYCJHECSA-N 0 3 234.303 0.431 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@H](N2CCCC2)C1 ZINC000061858108 387847514 /nfs/dbraw/zinc/84/75/14/387847514.db2.gz UMALDAXESRLQII-QWRGUYRKSA-N 0 3 225.336 0.420 20 0 BCADHN CCNS(=O)(=O)NC[C@H](C)N(CC)CC ZINC000062347983 387854511 /nfs/dbraw/zinc/85/45/11/387854511.db2.gz ZXKCQAUKWKKKAX-VIFPVBQESA-N 0 3 237.369 0.161 20 0 BCADHN COc1cnccc1[C@H](C)NC(=O)[C@@H]1C[C@@H]1N ZINC000424169008 387859298 /nfs/dbraw/zinc/85/92/98/387859298.db2.gz GLSDYJZAJKJHCC-SFGNSQDASA-N 0 3 235.287 0.615 20 0 BCADHN CCOC[C@@H](O)CN(C)CCSC ZINC000157650947 387860949 /nfs/dbraw/zinc/86/09/49/387860949.db2.gz RTDIAGFKWIAPQA-VIFPVBQESA-N 0 3 207.339 0.679 20 0 BCADHN COc1ccnc(CNC2CCN(C)CC2)n1 ZINC000424170235 387861561 /nfs/dbraw/zinc/86/15/61/387861561.db2.gz JSJSXESZFNWLLF-UHFFFAOYSA-N 0 3 236.319 0.669 20 0 BCADHN CCC[C@](C)(O)C(=O)N(C)CCN(C)C ZINC000433084175 387863226 /nfs/dbraw/zinc/86/32/26/387863226.db2.gz AEKTZGMSBSCRBW-NSHDSACASA-N 0 3 216.325 0.558 20 0 BCADHN CC[C@H](N)C(=O)N(CCOC)CC(F)F ZINC000157678203 387863966 /nfs/dbraw/zinc/86/39/66/387863966.db2.gz SOQQNUQANKSTIF-ZETCQYMHSA-N 0 3 224.251 0.464 20 0 BCADHN CC[C@H](CNS(C)(=O)=O)NC1CSC1 ZINC000648711272 387864330 /nfs/dbraw/zinc/86/43/30/387864330.db2.gz GELRMMRQKIMQGB-SSDOTTSWSA-N 0 3 238.378 0.019 20 0 BCADHN CCc1nc(CN(C)C(=O)CNC)cs1 ZINC000328084268 387864333 /nfs/dbraw/zinc/86/43/33/387864333.db2.gz AWKMNPGOAPECRQ-UHFFFAOYSA-N 0 3 227.333 0.883 20 0 BCADHN CCOC[C@H](C)N[C@H]1CCN[C@@H]1C(=O)OCC ZINC000423061149 387865341 /nfs/dbraw/zinc/86/53/41/387865341.db2.gz JYAORQLIXDYXHP-DCAQKATOSA-N 0 3 244.335 0.295 20 0 BCADHN CN(CCNC(=O)c1cccnn1)C1CC1 ZINC000528187392 387867690 /nfs/dbraw/zinc/86/76/90/387867690.db2.gz QXUNNQKNPPFDMC-UHFFFAOYSA-N 0 3 220.276 0.301 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H](C)CSC ZINC000157738288 387868578 /nfs/dbraw/zinc/86/85/78/387868578.db2.gz LSEYJNYJTRJGLU-SFYZADRCSA-N 0 3 236.406 0.935 20 0 BCADHN CCC(CC)N(CCOC)CC(=O)NC(N)=O ZINC000064805919 387868643 /nfs/dbraw/zinc/86/86/43/387868643.db2.gz AUNDFLYXMOXOJM-UHFFFAOYSA-N 0 3 245.323 0.318 20 0 BCADHN C[C@H]1COCC[C@H]1NCC(=O)Nc1ccncc1 ZINC000433134129 387869480 /nfs/dbraw/zinc/86/94/80/387869480.db2.gz JUXLAROMIADIGO-CMPLNLGQSA-N 0 3 249.314 0.457 20 0 BCADHN CN1CCC(N(CCO)Cc2cocn2)CC1 ZINC000432754369 387815157 /nfs/dbraw/zinc/81/51/57/387815157.db2.gz ZAXFPCTWGLSERK-UHFFFAOYSA-N 0 3 239.319 0.563 20 0 BCADHN C[C@@H](CO)N(C)C[C@H](O)COCC(F)(F)F ZINC000432783919 387816406 /nfs/dbraw/zinc/81/64/06/387816406.db2.gz LVEJIPAYSQXPSN-YUMQZZPRSA-N 0 3 245.241 0.239 20 0 BCADHN CC(C)[C@@H](O)CN1CCc2n[nH]c(=O)cc2C1 ZINC000432783822 387818410 /nfs/dbraw/zinc/81/84/10/387818410.db2.gz CWFKBVLPKOVMQP-NSHDSACASA-N 0 3 237.303 0.557 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@H](O)[C@@H]1C ZINC000452708846 387893314 /nfs/dbraw/zinc/89/33/14/387893314.db2.gz QJWZPLIKGLEYNB-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN CCOCC[C@@H](O)CN1CC[C@@H](OC)C1 ZINC000444640332 387895816 /nfs/dbraw/zinc/89/58/16/387895816.db2.gz PBJKCPGNDDTPBM-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN CC1(CCNC(=O)C2(N)CCOCC2)CC1 ZINC000424183105 387896713 /nfs/dbraw/zinc/89/67/13/387896713.db2.gz BRZNLSKTQNGXQK-UHFFFAOYSA-N 0 3 226.320 0.801 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@H]1CCNCC1(F)F ZINC000424182156 387896914 /nfs/dbraw/zinc/89/69/14/387896914.db2.gz YSAUEMBGRDBEMF-BDAKNGLRSA-N 0 3 249.305 0.331 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@@H](C)[C@H](C)OC ZINC000423073165 387875042 /nfs/dbraw/zinc/87/50/42/387875042.db2.gz QUYAUZYIEHRYEF-UKKRHICBSA-N 0 3 244.335 0.293 20 0 BCADHN CN(C)c1ncc(CN[C@@H]2CC[C@H]2O)cn1 ZINC000393224742 387875114 /nfs/dbraw/zinc/87/51/14/387875114.db2.gz SCMAGBHMDQSSGN-NXEZZACHSA-N 0 3 222.292 0.156 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@H]1NCC=C(C)C ZINC000423076756 387876221 /nfs/dbraw/zinc/87/62/21/387876221.db2.gz ZPZZJOGWBRKQFS-MNOVXSKESA-N 0 3 226.320 0.836 20 0 BCADHN CC(C)N(C)CC(=O)N(CCO)CC(F)F ZINC000194366357 387879191 /nfs/dbraw/zinc/87/91/91/387879191.db2.gz QNDYFWRNJGDHOV-UHFFFAOYSA-N 0 3 238.278 0.413 20 0 BCADHN 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387919396 /nfs/dbraw/zinc/91/93/96/387919396.db2.gz MQXMHKBMCAEIDM-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CCOCC[C@@H](O)CN1CCSC[C@@H]1CO ZINC000444678666 387905287 /nfs/dbraw/zinc/90/52/87/387905287.db2.gz XQEUQKUNCHRETK-WDEREUQCSA-N 0 3 249.376 0.184 20 0 BCADHN CC(C)(N)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000236781677 387906471 /nfs/dbraw/zinc/90/64/71/387906471.db2.gz OBNMMOFEZKNSNH-NXEZZACHSA-N 0 3 242.319 0.130 20 0 BCADHN COCCCN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000444675555 387906589 /nfs/dbraw/zinc/90/65/89/387906589.db2.gz RSAUNSHXMSSATB-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN CN(CCO[C@H]1CCCCO1)C1CC(O)C1 ZINC000444681875 387908653 /nfs/dbraw/zinc/90/86/53/387908653.db2.gz XMSNOXVYJFGOIA-MCIGGMRASA-N 0 3 229.320 0.985 20 0 BCADHN CCC[C@H](N)C(=O)NCCCCC(=O)OC ZINC000236850679 387908829 /nfs/dbraw/zinc/90/88/29/387908829.db2.gz GJZYNJZWIGLZQJ-VIFPVBQESA-N 0 3 230.308 0.573 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NCC[C@H](C)F ZINC000423132636 387909834 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208.236 0.890 20 0 BCADHN CC[C@H](C)CN1CCN2C(=O)NC[C@H]2C1 ZINC000246192174 388018320 /nfs/dbraw/zinc/01/83/20/388018320.db2.gz IELLHWYXIJSUNK-UWVGGRQHSA-N 0 3 211.309 0.742 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H]2C[C@H](F)CN2)CCO1 ZINC000446421974 388019332 /nfs/dbraw/zinc/01/93/32/388019332.db2.gz CCXUITYBNQIXTG-HBNTYKKESA-N 0 3 244.310 0.570 20 0 BCADHN Cc1nnc(NC(=O)[C@@]2(F)CCNC2)s1 ZINC000150699725 388021124 /nfs/dbraw/zinc/02/11/24/388021124.db2.gz GYYYJQNSXHPUJG-MRVPVSSYSA-N 0 3 230.268 0.487 20 0 BCADHN Cn1nccc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000082267646 388021210 /nfs/dbraw/zinc/02/12/10/388021210.db2.gz XSPYCFNDGSZLHF-LLVKDONJSA-N 0 3 248.330 0.730 20 0 BCADHN CCNC(=O)NC(=O)CN1CC[C@H](C(C)C)C1 ZINC000446728725 388033184 /nfs/dbraw/zinc/03/31/84/388033184.db2.gz LLNIVYGOCIILMB-JTQLQIEISA-N 0 3 241.335 0.810 20 0 BCADHN C[C@@]1(C(=O)NCCNc2ccncc2)CCCO1 ZINC000446734023 388035163 /nfs/dbraw/zinc/03/51/63/388035163.db2.gz BOJQXWIJELKZDY-ZDUSSCGKSA-N 0 3 249.314 0.601 20 0 BCADHN 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CN(C(=O)C1(N)CC1)[C@@H]1CCSC1 ZINC000083834123 388063200 /nfs/dbraw/zinc/06/32/00/388063200.db2.gz SQKMLLDHWWLJIC-SSDOTTSWSA-N 0 3 200.307 0.442 20 0 BCADHN NC(=O)c1ccc(NC(=O)C2(N)CC2)cc1 ZINC000083833823 388063340 /nfs/dbraw/zinc/06/33/40/388063340.db2.gz ZPFQHWNZWHEGPC-UHFFFAOYSA-N 0 3 219.244 0.215 20 0 BCADHN CNCC(=O)N1CCc2c(cccc2OC)C1 ZINC000083888079 388064811 /nfs/dbraw/zinc/06/48/11/388064811.db2.gz XYFVAUWSAYPHMH-UHFFFAOYSA-N 0 3 234.299 0.799 20 0 BCADHN CNCC(=O)N1CCC[C@@H](c2nc(C)no2)C1 ZINC000083928367 388066973 /nfs/dbraw/zinc/06/69/73/388066973.db2.gz YBAXTHJLDPHDPY-SECBINFHSA-N 0 3 238.291 0.303 20 0 BCADHN COC(=O)CC1(CN2CCC(O)CC2)CC1 ZINC000440698864 388068260 /nfs/dbraw/zinc/06/82/60/388068260.db2.gz ACWPAKHFKXFXLR-UHFFFAOYSA-N 0 3 227.304 0.786 20 0 BCADHN CC[C@@H](N[C@@H](COC)C(C)C)C(=O)NC ZINC000453398000 388071189 /nfs/dbraw/zinc/07/11/89/388071189.db2.gz ITLUHEMMFZHARK-ZJUUUORDSA-N 0 3 216.325 0.772 20 0 BCADHN COC(=O)CC1(CN2CCC[C@H]2CO)CC1 ZINC000440701090 388071511 /nfs/dbraw/zinc/07/15/11/388071511.db2.gz IXNRWSPWPJSEQI-JTQLQIEISA-N 0 3 227.304 0.786 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000084091821 388072293 /nfs/dbraw/zinc/07/22/93/388072293.db2.gz ZBSXMVVUGPHVNG-CABZTGNLSA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@@H](N[C@H](C)C(C)(C)OC)C(=O)NC ZINC000453399515 388072412 /nfs/dbraw/zinc/07/24/12/388072412.db2.gz KFTCXECLXYHNTA-RKDXNWHRSA-N 0 3 216.325 0.914 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@@](C)(O)C1CC1 ZINC000336658367 388074598 /nfs/dbraw/zinc/07/45/98/388074598.db2.gz ITDFUKGGUZSNDV-MWLCHTKSSA-N 0 3 249.376 0.560 20 0 BCADHN CN(CCCCCO)C(=O)C1CCN(C)CC1 ZINC000447643623 388084922 /nfs/dbraw/zinc/08/49/22/388084922.db2.gz OLCLTYVUVPZSHP-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN C[C@@H](CC(=O)NCCN(C)C)n1cccn1 ZINC000424525069 388086126 /nfs/dbraw/zinc/08/61/26/388086126.db2.gz LYLLWZFATBHJQI-JTQLQIEISA-N 0 3 224.308 0.512 20 0 BCADHN CN(C[C@@H]1CCCC[C@H]1O)[C@H]1COC[C@H]1O ZINC000463146158 388086877 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/nfs/dbraw/zinc/10/34/32/388103432.db2.gz CUTVOZFTKFAUMD-QWRGUYRKSA-N 0 3 245.319 0.459 20 0 BCADHN C[C@@H]1C[C@@H](NCc2ccc(C(N)=O)nc2)[C@H](C)O1 ZINC000449192292 388155637 /nfs/dbraw/zinc/15/56/37/388155637.db2.gz UGBLFIXAKNBKIU-VDDIYKPWSA-N 0 3 249.314 0.836 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1CCN1CCCC1=O ZINC000646142223 388155912 /nfs/dbraw/zinc/15/59/12/388155912.db2.gz BRBURXBCTYISHI-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@H]1CN(CCN2C[C@@H](O)CC[C@@H]2C)CCO1 ZINC000646144807 388156659 /nfs/dbraw/zinc/15/66/59/388156659.db2.gz SXUNTTYOAIMMEJ-AVGNSLFASA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H]1COCC[C@H]1C(=O)NCCN(C)C ZINC000195311790 388158639 /nfs/dbraw/zinc/15/86/39/388158639.db2.gz KAYDAEOIHCMVTJ-NXEZZACHSA-N 0 3 214.309 0.337 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CC(=O)N(C3CC3)C2)[C@@H](C)O1 ZINC000449223057 388158944 /nfs/dbraw/zinc/15/89/44/388158944.db2.gz JCGMIJGVDSEKHK-BFLSOPEQSA-N 0 3 238.331 0.905 20 0 BCADHN C[C@H]1COCC[C@@H]1C(=O)NCCN1CCCC1 ZINC000195333746 388160609 /nfs/dbraw/zinc/16/06/09/388160609.db2.gz ZQIKVNZQEZDFOF-RYUDHWBXSA-N 0 3 240.347 0.871 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@@H](O)[C@@H](C)C1 ZINC000249965935 388160754 /nfs/dbraw/zinc/16/07/54/388160754.db2.gz JYEUWBJGSRQGLI-JOYOIKCWSA-N 0 3 223.320 0.931 20 0 BCADHN CC[C@H](C(=O)N1CC(C)(CO)C1)N(CC)CC ZINC000456234638 388187808 /nfs/dbraw/zinc/18/78/08/388187808.db2.gz RYWWGHGEQPVJKT-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@H](C[C@H]1CCCO1)NC(=O)C1(N)CCC1 ZINC000449269279 388164336 /nfs/dbraw/zinc/16/43/36/388164336.db2.gz ADUIENYFUSLEFB-NXEZZACHSA-N 0 3 226.320 0.942 20 0 BCADHN CCCC[C@@H](C)C(=O)N[C@H](CO)CN(C)C ZINC000646209163 388164514 /nfs/dbraw/zinc/16/45/14/388164514.db2.gz YFBVLPDHGFEJEQ-MNOVXSKESA-N 0 3 230.352 0.851 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@H](C)NC1CC1 ZINC000449270250 388165356 /nfs/dbraw/zinc/16/53/56/388165356.db2.gz JJFRWFFEXMBFGL-SFYZADRCSA-N 0 3 228.292 0.052 20 0 BCADHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)co1 ZINC000646210282 388165605 /nfs/dbraw/zinc/16/56/05/388165605.db2.gz YAJCRQYXYGCDSJ-SNVBAGLBSA-N 0 3 226.276 0.240 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)CCC(C)(C)C ZINC000646212283 388166305 /nfs/dbraw/zinc/16/63/05/388166305.db2.gz YCXPDDSVHLUZAP-JTQLQIEISA-N 0 3 230.352 0.851 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@H](C)NC1CC1 ZINC000449276318 388166396 /nfs/dbraw/zinc/16/63/96/388166396.db2.gz RHVKCARASIQGCK-ATZCPNFKSA-N 0 3 228.336 0.650 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@H](C)NC1CC1 ZINC000449276321 388166702 /nfs/dbraw/zinc/16/67/02/388166702.db2.gz RHVKCARASIQGCK-QXEWZRGKSA-N 0 3 228.336 0.650 20 0 BCADHN CC[C@H](C)CC(=O)N[C@@H](CO)CN1CCCC1 ZINC000646222527 388167721 /nfs/dbraw/zinc/16/77/21/388167721.db2.gz UGGHSRBUVGYQJP-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN COCC1(NC2CSC2)CCOCC1 ZINC000646223549 388168007 /nfs/dbraw/zinc/16/80/07/388168007.db2.gz GNTUQJMIQMPXFI-UHFFFAOYSA-N 0 3 217.334 0.887 20 0 BCADHN COCCNCC(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000646228774 388168986 /nfs/dbraw/zinc/16/89/86/388168986.db2.gz NAFNWBSWCZOEKM-GHMZBOCLSA-N 0 3 244.335 0.154 20 0 BCADHN COCCNCC(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000646228776 388169212 /nfs/dbraw/zinc/16/92/12/388169212.db2.gz NAFNWBSWCZOEKM-QWRGUYRKSA-N 0 3 244.335 0.154 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000646252059 388170210 /nfs/dbraw/zinc/17/02/10/388170210.db2.gz QQDKNOVBWBUBQG-ONGXEEELSA-N 0 3 248.330 0.901 20 0 BCADHN NC1(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CCC1 ZINC000449310704 388170640 /nfs/dbraw/zinc/17/06/40/388170640.db2.gz IBIALLJFYGVMQA-AXFHLTTASA-N 0 3 238.331 0.942 20 0 BCADHN CCn1nnc(C)c1CN1CCN2CCC1CC2 ZINC000449325625 388173039 /nfs/dbraw/zinc/17/30/39/388173039.db2.gz OGMATNWQZJSILU-UHFFFAOYSA-N 0 3 249.362 0.886 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2cncnc2)[C@@H](C)CN1 ZINC000646298808 388178827 /nfs/dbraw/zinc/17/88/27/388178827.db2.gz RXOORUIXLAQTSD-ZJUUUORDSA-N 0 3 234.303 0.228 20 0 BCADHN C[C@@H]1CN(C(=O)CCCCC(N)=O)[C@H](C)CN1 ZINC000646298679 388178846 /nfs/dbraw/zinc/17/88/46/388178846.db2.gz AAEMWYYDQPBCQC-NXEZZACHSA-N 0 3 241.335 0.241 20 0 BCADHN CCn1nccc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000646298773 388178987 /nfs/dbraw/zinc/17/89/87/388178987.db2.gz PUMOWVRPXDLIPO-UWVGGRQHSA-N 0 3 236.319 0.725 20 0 BCADHN COCCNCCNC(=O)C1(C)CC1 ZINC000261528388 135153600 /nfs/dbraw/zinc/15/36/00/135153600.db2.gz LERSXTAYLWRKLP-UHFFFAOYSA-N 0 3 200.282 0.139 20 0 BCADHN CCNS(=O)(=O)[C@@H]1CCN(C[C@@H]2C[C@H]2C)C1 ZINC000488531529 388182974 /nfs/dbraw/zinc/18/29/74/388182974.db2.gz YOVQZOUBZWPTRE-OUAUKWLOSA-N 0 3 246.376 0.656 20 0 BCADHN CC[C@H](C)[C@H](O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456170795 388183136 /nfs/dbraw/zinc/18/31/36/388183136.db2.gz QNSLVQNBHZHWOF-YFKTTZPYSA-N 0 3 240.347 0.556 20 0 BCADHN CC[C@@H](NC(=O)CN(CC)CC)[C@H](C)O ZINC000456209253 388184839 /nfs/dbraw/zinc/18/48/39/388184839.db2.gz IGYGNLVWELLASO-VHSXEESVSA-N 0 3 216.325 0.604 20 0 BCADHN CCC[C@H](OC)C(=O)NCCN(C)CCOC ZINC000448876644 388116935 /nfs/dbraw/zinc/11/69/35/388116935.db2.gz ZHMBNDFPNYAIIV-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CC[C@H](O)CC(=O)N(CCOC)CCN(C)C ZINC000448908649 388119533 /nfs/dbraw/zinc/11/95/33/388119533.db2.gz GZKYAINZSBWMAT-NSHDSACASA-N 0 3 246.351 0.184 20 0 BCADHN CCCN(CCN(C)C)C(=O)C1CC(C)(O)C1 ZINC000448912478 388120015 /nfs/dbraw/zinc/12/00/15/388120015.db2.gz QGFCRMXAQRMROH-UHFFFAOYSA-N 0 3 242.363 0.948 20 0 BCADHN COCCN1CC[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000448937586 388121124 /nfs/dbraw/zinc/12/11/24/388121124.db2.gz QONKWDCGTYYEMO-BDAKNGLRSA-N 0 3 248.273 0.479 20 0 BCADHN CNC(=O)CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000171236265 388122779 /nfs/dbraw/zinc/12/27/79/388122779.db2.gz ISIRBGMYOAGJRD-BBBLOLIVSA-N 0 3 241.335 0.110 20 0 BCADHN CC[C@H](O)CC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000448961051 388123611 /nfs/dbraw/zinc/12/36/11/388123611.db2.gz LTSXDSZLWMXANS-RYUDHWBXSA-N 0 3 240.347 0.843 20 0 BCADHN CCN(CC)CC(=O)N1CC2(C1)CCOCC2 ZINC000646009663 388123662 /nfs/dbraw/zinc/12/36/62/388123662.db2.gz BUZBMGSNTLVLKY-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1CCSC1)N(C)C ZINC000454590746 388124579 /nfs/dbraw/zinc/12/45/79/388124579.db2.gz MKALWMPSTKOZAX-IUCAKERBSA-N 0 3 231.365 0.741 20 0 BCADHN CN1CC2(C1)CCN(C(=O)c1cnc[nH]1)C2 ZINC000646021377 388125778 /nfs/dbraw/zinc/12/57/78/388125778.db2.gz YXHXXVXHBYXNBU-UHFFFAOYSA-N 0 3 220.276 0.187 20 0 BCADHN CCOCCCN[C@@H](C)CS(=O)(=O)CC ZINC000162213028 388126416 /nfs/dbraw/zinc/12/64/16/388126416.db2.gz PNZQSMYPBWHCIM-JTQLQIEISA-N 0 3 237.365 0.826 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)N[C@@H]3CCOC3)C[C@@H]21 ZINC000454722216 388131518 /nfs/dbraw/zinc/13/15/18/388131518.db2.gz MOHNVUGZLIVGKQ-MXWKQRLJSA-N 0 3 239.319 0.121 20 0 BCADHN COC[C@H]1CCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000646052867 388133286 /nfs/dbraw/zinc/13/32/86/388133286.db2.gz QOKZTATYEFOKNN-UWVGGRQHSA-N 0 3 226.320 0.479 20 0 BCADHN NC1(C(=O)Nc2ccn(CC(F)F)n2)CC1 ZINC000162244953 388135385 /nfs/dbraw/zinc/13/53/85/388135385.db2.gz DYEKODGTLCOQLH-UHFFFAOYSA-N 0 3 230.218 0.578 20 0 BCADHN C[C@H](O)CC(C)(C)CNC(=O)[C@H]1NCC1(C)C ZINC000646072418 388136828 /nfs/dbraw/zinc/13/68/28/388136828.db2.gz VXQZVWIPXBSSSA-VHSXEESVSA-N 0 3 242.363 0.898 20 0 BCADHN CC(C)[C@](C)(O)CN[C@H]1CCCS(=O)(=O)C1 ZINC000162254929 388137013 /nfs/dbraw/zinc/13/70/13/388137013.db2.gz NCTCZAUMOFENCR-WDEREUQCSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@H](O)CC(C)(C)CNC(=O)[C@@H]1NCC1(C)C ZINC000646072417 388137138 /nfs/dbraw/zinc/13/71/38/388137138.db2.gz VXQZVWIPXBSSSA-UWVGGRQHSA-N 0 3 242.363 0.898 20 0 BCADHN CCCNC(=O)CNC(=O)[C@H](C)NCCC ZINC000449068008 388138173 /nfs/dbraw/zinc/13/81/73/388138173.db2.gz PYJHBIKUJGRXKC-VIFPVBQESA-N 0 3 229.324 0.017 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCC[C@H]1C ZINC000261527935 135152832 /nfs/dbraw/zinc/15/28/32/135152832.db2.gz HZJOGNRIWGXSLD-IWSPIJDZSA-N 0 3 200.282 0.265 20 0 BCADHN CSC[C@@H](C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000162272986 388140264 /nfs/dbraw/zinc/14/02/64/388140264.db2.gz XNLAMGWJFPRJHM-RKDXNWHRSA-N 0 3 237.390 0.905 20 0 BCADHN CC[C@H](CCO)N[C@@H](C)CS(C)(=O)=O ZINC000162280914 388140615 /nfs/dbraw/zinc/14/06/15/388140615.db2.gz IRXSRZVENUFRMV-DTWKUNHWSA-N 0 3 223.338 0.170 20 0 BCADHN O=C1CO[C@@H]2CCN(CC3=CCCC3)C[C@H]2N1 ZINC000645927019 388141114 /nfs/dbraw/zinc/14/11/14/388141114.db2.gz DLXRUZKJKDZBFW-VXGBXAGGSA-N 0 3 236.315 0.686 20 0 BCADHN COc1ccc(NC(=O)[C@H]2CCN2)nc1 ZINC000646094610 388141507 /nfs/dbraw/zinc/14/15/07/388141507.db2.gz HJPYSOCJJIULLF-MRVPVSSYSA-N 0 3 207.233 0.391 20 0 BCADHN C[C@@H](C(N)=O)N1CC2(C[C@@H]1C)CCOCC2 ZINC000646095936 388141739 /nfs/dbraw/zinc/14/17/39/388141739.db2.gz FEOWIAUTNKJQBK-UWVGGRQHSA-N 0 3 226.320 0.751 20 0 BCADHN CC[C@@H](CNC(=O)NC[C@H](C)N(C)C)OC ZINC000454973160 388143442 /nfs/dbraw/zinc/14/34/42/388143442.db2.gz QVEKZIRHNZYJJI-UWVGGRQHSA-N 0 3 231.340 0.661 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000449117460 388144359 /nfs/dbraw/zinc/14/43/59/388144359.db2.gz UPHDAANRDIVGGQ-KXUCPTDWSA-N 0 3 225.336 0.336 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)[C@H](C)NC1CC1 ZINC000449138024 388147883 /nfs/dbraw/zinc/14/78/83/388147883.db2.gz HBSCFRXKRDIASE-ONGXEEELSA-N 0 3 228.336 0.650 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@@H](C)NC1CC1)C1CC1 ZINC000449143845 388148175 /nfs/dbraw/zinc/14/81/75/388148175.db2.gz XVFPMFICKJLLLA-XCBNKYQSSA-N 0 3 240.303 0.195 20 0 BCADHN CN(C)CC(C)(C)NC(=O)Nc1cncnc1 ZINC000455154101 388151037 /nfs/dbraw/zinc/15/10/37/388151037.db2.gz JWVBGFFAMRUPBH-UHFFFAOYSA-N 0 3 237.307 0.938 20 0 BCADHN C[C@@H](N)C(=O)N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000646135936 388152068 /nfs/dbraw/zinc/15/20/68/388152068.db2.gz GGLRCRQHKKLZQT-FSDSQADBSA-N 0 3 240.225 0.512 20 0 BCADHN OCC(CO)NCc1cccc2ccoc21 ZINC000449175938 388153443 /nfs/dbraw/zinc/15/34/43/388153443.db2.gz PJWUAWKMHCIQGZ-UHFFFAOYSA-N 0 3 221.256 0.876 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000449179718 388154202 /nfs/dbraw/zinc/15/42/02/388154202.db2.gz WOGZAPKQANRIEJ-UTLUCORTSA-N 0 3 225.336 0.336 20 0 BCADHN O=C(NCCN1CCCC1)[C@H](O)C1CCC1 ZINC000449181496 388154226 /nfs/dbraw/zinc/15/42/26/388154226.db2.gz HTKWYLAIWAUSHZ-LLVKDONJSA-N 0 3 226.320 0.359 20 0 BCADHN CC(C)[C@H](CCO)NCc1cnn(C)c1 ZINC000164855125 388248959 /nfs/dbraw/zinc/24/89/59/388248959.db2.gz MFVGRGKAJUBDQQ-NSHDSACASA-N 0 3 211.309 0.917 20 0 BCADHN C[C@@H](CO)[C@H](C)N[C@@H](C)C(=O)NC1CC1 ZINC000164885101 388249141 /nfs/dbraw/zinc/24/91/41/388249141.db2.gz FFALIYSMSZPCLZ-CIUDSAMLSA-N 0 3 214.309 0.260 20 0 BCADHN CCCCNC(=O)CN[C@H](C)[C@H](C)CO ZINC000164899983 388249524 /nfs/dbraw/zinc/24/95/24/388249524.db2.gz MSYISICCQSIERL-NXEZZACHSA-N 0 3 216.325 0.509 20 0 BCADHN CC(C)OCC(=O)N[C@H]1CNCCC1(F)F ZINC000449665942 388250146 /nfs/dbraw/zinc/25/01/46/388250146.db2.gz RLYOXXDDVBBZHV-QMMMGPOBSA-N 0 3 236.262 0.525 20 0 BCADHN CCCOCC(=O)N[C@H]1CNCCC1(F)F ZINC000449666328 388250195 /nfs/dbraw/zinc/25/01/95/388250195.db2.gz SCZOJAUGPLLBGO-QMMMGPOBSA-N 0 3 236.262 0.526 20 0 BCADHN CC(C)(N)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000490748946 388253071 /nfs/dbraw/zinc/25/30/71/388253071.db2.gz ZSZKBEAFSLXMQP-UHFFFAOYSA-N 0 3 246.274 0.338 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H](C(=O)OC)C1CC1 ZINC000490811452 388255351 /nfs/dbraw/zinc/25/53/51/388255351.db2.gz MYSJAWTWFBRANZ-IUCAKERBSA-N 0 3 228.292 0.182 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCCO[C@H]1CCOC1 ZINC000490944801 388261009 /nfs/dbraw/zinc/26/10/09/388261009.db2.gz WKBXSFZCFNUDRK-WDEREUQCSA-N 0 3 244.335 0.282 20 0 BCADHN CC[C@H]1CN(CC)CCN1C(=O)CN(C)C ZINC000456355674 388196972 /nfs/dbraw/zinc/19/69/72/388196972.db2.gz QLBLSFTYUYOWAW-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1ccncn1 ZINC000489027796 388201721 /nfs/dbraw/zinc/20/17/21/388201721.db2.gz OWBMIKQDPNLFJD-UHFFFAOYSA-N 0 3 236.319 0.890 20 0 BCADHN CS[C@@H](CO)[C@H](C)NCc1cnn(C)c1 ZINC000164282472 388202317 /nfs/dbraw/zinc/20/23/17/388202317.db2.gz IWPVOHILMYYQQV-WPRPVWTQSA-N 0 3 229.349 0.622 20 0 BCADHN C[C@@H]1C[C@@H](CN2CCc3nn[nH]c3C2)CCO1 ZINC000489017824 388202344 /nfs/dbraw/zinc/20/23/44/388202344.db2.gz UQSAWFKWNBUSOB-ZJUUUORDSA-N 0 3 236.319 0.978 20 0 BCADHN C[C@@H]1C[C@@H](CN2CCc3n[nH]nc3C2)CCO1 ZINC000489017824 388202346 /nfs/dbraw/zinc/20/23/46/388202346.db2.gz UQSAWFKWNBUSOB-ZJUUUORDSA-N 0 3 236.319 0.978 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](OC)[C@H](OC)C1 ZINC000489226516 388205813 /nfs/dbraw/zinc/20/58/13/388205813.db2.gz IICWBFQZSRJLKT-GHMZBOCLSA-N 0 3 244.335 0.200 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](OC)[C@@H](OC)C1)N(C)C ZINC000489205686 388206154 /nfs/dbraw/zinc/20/61/54/388206154.db2.gz UCHMIXDTGUIWGM-MXWKQRLJSA-N 0 3 244.335 0.199 20 0 BCADHN CC[C@H](C(=O)N1C[C@H](OC)[C@@H](OC)C1)N(C)C ZINC000489205687 388206157 /nfs/dbraw/zinc/20/61/57/388206157.db2.gz UCHMIXDTGUIWGM-VWYCJHECSA-N 0 3 244.335 0.199 20 0 BCADHN CC[C@@H](NC(=O)CN(CC)CC)[C@@H](O)CC ZINC000456569431 388208799 /nfs/dbraw/zinc/20/87/99/388208799.db2.gz BFBBNAAXDZXDDG-MNOVXSKESA-N 0 3 230.352 0.994 20 0 BCADHN COC[C@@H](CCO)NCc1cnc(C)s1 ZINC000164302587 388211259 /nfs/dbraw/zinc/21/12/59/388211259.db2.gz BQQGFXJJKZAMEL-SECBINFHSA-N 0 3 230.333 0.939 20 0 BCADHN CNC(=O)CCN(CCOC)[C@H]1CCO[C@H]1C ZINC000489468258 388216066 /nfs/dbraw/zinc/21/60/66/388216066.db2.gz HUUAPQRFFNNTHD-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN CNC(=O)CCN(CCOC)[C@H]1CCO[C@@H]1C ZINC000489468256 388216123 /nfs/dbraw/zinc/21/61/23/388216123.db2.gz HUUAPQRFFNNTHD-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CC)[C@H](O)CC ZINC000456709390 388216590 /nfs/dbraw/zinc/21/65/90/388216590.db2.gz LULKCBPKYJUZJW-WDEREUQCSA-N 0 3 230.352 0.994 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000449505910 388218175 /nfs/dbraw/zinc/21/81/75/388218175.db2.gz ZOQHRUFGIQLVQO-UTLUCORTSA-N 0 3 225.336 0.336 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)CC[C@H]1CCCO1 ZINC000450821066 388259448 /nfs/dbraw/zinc/25/94/48/388259448.db2.gz QGLZOQDSPCNMLQ-VXGBXAGGSA-N 0 3 229.320 0.827 20 0 BCADHN CCN1C[C@H](NCc2[nH]ncc2C)CC1=O ZINC000449517078 388221750 /nfs/dbraw/zinc/22/17/50/388221750.db2.gz IVPKUUGHEBTXCB-SECBINFHSA-N 0 3 222.292 0.429 20 0 BCADHN COC[C@]1(C(=O)NC[C@@H](C)N(C)C)CCOC1 ZINC000449516423 388222094 /nfs/dbraw/zinc/22/20/94/388222094.db2.gz ASSJXTMWRKZNJI-ZYHUDNBSSA-N 0 3 244.335 0.106 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CO ZINC000456794898 388222305 /nfs/dbraw/zinc/22/23/05/388222305.db2.gz FJZNJXXWQHARFL-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN CCn1nnc(C)c1CN1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000449524450 388224207 /nfs/dbraw/zinc/22/42/07/388224207.db2.gz RAGSXFOBOCEBIN-WCQYABFASA-N 0 3 249.362 0.742 20 0 BCADHN C[C@H](N)C(=O)NCc1ccc(NC(N)=O)cc1 ZINC000490075096 388233213 /nfs/dbraw/zinc/23/32/13/388233213.db2.gz WILLUWHKNCMEJM-ZETCQYMHSA-N 0 3 236.275 0.141 20 0 BCADHN CCOC(=O)CCN(CCOC)[C@H]1CCOC1 ZINC000490074367 388233237 /nfs/dbraw/zinc/23/32/37/388233237.db2.gz UXZOUZNQIGNVBA-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN COCCN(CCCNC(C)=O)[C@H]1CCOC1 ZINC000490079730 388234523 /nfs/dbraw/zinc/23/45/23/388234523.db2.gz LQIOPFPKTDLPQD-LBPRGKRZSA-N 0 3 244.335 0.250 20 0 BCADHN CO[C@@H]1CN(Cc2nc(C)ccc2O)C[C@H]1O ZINC000449570610 388235782 /nfs/dbraw/zinc/23/57/82/388235782.db2.gz HSPYRMIPAAFDPR-VXGBXAGGSA-N 0 3 238.287 0.287 20 0 BCADHN CCN(CC)CC(=O)N1CCNC[C@@](C)(F)C1 ZINC000449570234 388236011 /nfs/dbraw/zinc/23/60/11/388236011.db2.gz AFOXVRUENIKWQS-GFCCVEGCSA-N 0 3 245.342 0.488 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2ccncn2)CCCN1C ZINC000490257872 388237103 /nfs/dbraw/zinc/23/71/03/388237103.db2.gz XWCRVXRTKXYVTO-VHSXEESVSA-N 0 3 234.303 0.689 20 0 BCADHN CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000451664928 388288423 /nfs/dbraw/zinc/28/84/23/388288423.db2.gz CXMIWQUVVPNDKP-JTQLQIEISA-N 0 3 229.324 0.152 20 0 BCADHN CCC[C@H](O)CN1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451665892 388288644 /nfs/dbraw/zinc/28/86/44/388288644.db2.gz QXVYJFAXDQBBLD-XQQFMLRXSA-N 0 3 244.379 0.534 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@]1(C)CCCO1 ZINC000492058742 388333261 /nfs/dbraw/zinc/33/32/61/388333261.db2.gz PZSYRSZTKXYNIS-RNZFLTOJSA-N 0 3 226.320 0.790 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000451754957 388294089 /nfs/dbraw/zinc/29/40/89/388294089.db2.gz DCVQPAKFZZKXOX-GUBZILKMSA-N 0 3 214.309 0.620 20 0 BCADHN COC[C@]1(C(=O)N[C@@H](C)CN(C)C)CCOC1 ZINC000451755714 388294161 /nfs/dbraw/zinc/29/41/61/388294161.db2.gz FTLSDBAQTPHFDQ-CMPLNLGQSA-N 0 3 244.335 0.106 20 0 BCADHN CO[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H]1O ZINC000451766072 388294815 /nfs/dbraw/zinc/29/48/15/388294815.db2.gz WJMOOZWJEJDTFT-IJLUTSLNSA-N 0 3 229.320 0.637 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC[C@](C)(O)CC1 ZINC000492021285 388331888 /nfs/dbraw/zinc/33/18/88/388331888.db2.gz SBLAFUZBRPZPJG-AGLBCWCQSA-N 0 3 240.347 0.868 20 0 BCADHN CC[C@@H](C)N1CCN(Cc2nnnn2C)CC1 ZINC000451829667 388298926 /nfs/dbraw/zinc/29/89/26/388298926.db2.gz XULYCFQWTGFCFT-SNVBAGLBSA-N 0 3 238.339 0.126 20 0 BCADHN C/C=C/C=C\C(=O)N[C@H]1CCN(CCOC)C1 ZINC000491564452 388303847 /nfs/dbraw/zinc/30/38/47/388303847.db2.gz XCKYORAWDODQLA-UXVFWXEMSA-N 0 3 238.331 0.956 20 0 BCADHN CCOCCCNC(=O)/C=C\CN(C)C ZINC000491644321 388307636 /nfs/dbraw/zinc/30/76/36/388307636.db2.gz QDNGFJSTXHTMDL-ALCCZGGFSA-N 0 3 214.309 0.647 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)/C=C/CN(C)C)C1 ZINC000492036719 388332432 /nfs/dbraw/zinc/33/24/32/388332432.db2.gz XLDUJSLQJKELGC-BXXZLRJFSA-N 0 3 226.320 0.788 20 0 BCADHN CSC[C@@H](O)CN1CCC(OCCO)CC1 ZINC000492041204 388332493 /nfs/dbraw/zinc/33/24/93/388332493.db2.gz GDRSMVGHYZBKDY-JTQLQIEISA-N 0 3 249.376 0.184 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C(=O)/C=C\CN(C)C ZINC000492052693 388333022 /nfs/dbraw/zinc/33/30/22/388333022.db2.gz ZSRCVBVTUPBVFU-BYIQDMNASA-N 0 3 212.293 0.086 20 0 BCADHN CN(C)C/C=C\C(=O)NC1=NCCS1 ZINC000491840157 388324446 /nfs/dbraw/zinc/32/44/46/388324446.db2.gz AKJAPGHMLQWUDB-ARJAWSKDSA-N 0 3 213.306 0.323 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@@]1(C)CCOC1 ZINC000491847684 388324697 /nfs/dbraw/zinc/32/46/97/388324697.db2.gz MJOFXPGEFSCCRD-ZYOFXKKJSA-N 0 3 226.320 0.647 20 0 BCADHN COCC1CCN(C(=O)/C=C/CN(C)C)CC1 ZINC000491865090 388325305 /nfs/dbraw/zinc/32/53/05/388325305.db2.gz GVSNWCVLMKBRAB-SNAWJCMRSA-N 0 3 240.347 0.989 20 0 BCADHN CN(C)C/C=C\C(=O)NCCc1nccs1 ZINC000491873474 388325458 /nfs/dbraw/zinc/32/54/58/388325458.db2.gz UIDCLUPDMWWSBM-ARJAWSKDSA-N 0 3 239.344 0.920 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1ccnn1C ZINC000491875070 388325768 /nfs/dbraw/zinc/32/57/68/388325768.db2.gz XYENIOIHRZRBIP-SNAWJCMRSA-N 0 3 208.265 0.476 20 0 BCADHN CCOCCN(CC)C(=O)/C=C\CN(C)C ZINC000491906706 388326977 /nfs/dbraw/zinc/32/69/77/388326977.db2.gz QGGRPIRUGUUMAN-FPLPWBNLSA-N 0 3 228.336 0.989 20 0 BCADHN CN(C)C/C=C/C(=O)NC(C)(C)C(=O)N(C)C ZINC000491902707 388327041 /nfs/dbraw/zinc/32/70/41/388327041.db2.gz DOCPSSJCOBLGRD-BQYQJAHWSA-N 0 3 241.335 0.087 20 0 BCADHN C[C@@H]1CCN(C(=O)/C=C\CN(C)C)[C@@H]1CO ZINC000491962387 388329926 /nfs/dbraw/zinc/32/99/26/388329926.db2.gz JSBRMZZRBGIYSW-WQMVXFAESA-N 0 3 226.320 0.334 20 0 BCADHN CNC(=O)CN1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451358065 388264890 /nfs/dbraw/zinc/26/48/90/388264890.db2.gz AZEAMZABKNEDKD-BLFANLJRSA-N 0 3 220.316 0.876 20 0 BCADHN O[C@@H]1COC[C@@H]1NC[C@@H]1CCOc2ccccc21 ZINC000323478642 388265257 /nfs/dbraw/zinc/26/52/57/388265257.db2.gz YYKCIYMNQYECDW-WCFLWFBJSA-N 0 3 249.310 0.902 20 0 BCADHN Cc1ncc(C(=O)NC[C@@H](C)N2CCCC2)[nH]1 ZINC000518969991 256639193 /nfs/dbraw/zinc/63/91/93/256639193.db2.gz WFETXYHXNNAOQP-SECBINFHSA-N 0 3 236.319 0.932 20 0 BCADHN CCC[C@@H](N)C(=O)NC1(CC(N)=O)CCC1 ZINC000491074176 388268463 /nfs/dbraw/zinc/26/84/63/388268463.db2.gz GHJXXRXRJPXZDV-MRVPVSSYSA-N 0 3 227.308 0.028 20 0 BCADHN Cn1nccc1CN[C@@H]1C[C@@H](O)C1(C)C ZINC000163370418 388269273 /nfs/dbraw/zinc/26/92/73/388269273.db2.gz TWIFPTSCKDWFNW-NXEZZACHSA-N 0 3 209.293 0.669 20 0 BCADHN CCOCCN1CC[C@@](O)(C(F)F)C1 ZINC000451442486 388272958 /nfs/dbraw/zinc/27/29/58/388272958.db2.gz WGQJBIGFGOKWQS-VIFPVBQESA-N 0 3 209.236 0.725 20 0 BCADHN COCCCN1CC[C@](O)(C(F)F)C1 ZINC000451442281 388274265 /nfs/dbraw/zinc/27/42/65/388274265.db2.gz VEKSCBWIPIWADC-SECBINFHSA-N 0 3 209.236 0.725 20 0 BCADHN COCC(C)(C)CNC(=O)N[C@@H](C)CN(C)C ZINC000491204038 388277527 /nfs/dbraw/zinc/27/75/27/388277527.db2.gz VQOHVSRCPXWNJB-JTQLQIEISA-N 0 3 245.367 0.908 20 0 BCADHN CN(C)CC1(NS(=O)(=O)C2(C)CC2)CCC1 ZINC000451486228 388277627 /nfs/dbraw/zinc/27/76/27/388277627.db2.gz CXWIXBWKTGHWEL-UHFFFAOYSA-N 0 3 246.376 0.943 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)Cc1nccn1C ZINC000492285387 388340473 /nfs/dbraw/zinc/34/04/73/388340473.db2.gz XMJZRUUCWNVRHD-AATRIKPKSA-N 0 3 236.319 0.496 20 0 BCADHN C[C@H](CO)[C@H](C)NC(=O)/C=C\CN(C)C ZINC000492302453 388340954 /nfs/dbraw/zinc/34/09/54/388340954.db2.gz TXFGMDKAYNFEFM-LZCWPNQWSA-N 0 3 214.309 0.237 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)/C=C\CN(C)C ZINC000492340490 388341773 /nfs/dbraw/zinc/34/17/73/388341773.db2.gz QKADWJOLSQUWHH-WWQCOOJYSA-N 0 3 214.309 0.237 20 0 BCADHN CCN(C)CCNC(=O)/C=C/c1ccncn1 ZINC000492397561 388343396 /nfs/dbraw/zinc/34/33/96/388343396.db2.gz ZWYGNDPVNREZOL-SNAWJCMRSA-N 0 3 234.303 0.558 20 0 BCADHN Cn1nncc1CNC[C@H]1CCC=CO1 ZINC000275789351 388345697 /nfs/dbraw/zinc/34/56/97/388345697.db2.gz IUUIGDBPWDGNPF-SNVBAGLBSA-N 0 3 208.265 0.597 20 0 BCADHN CCOCCCNC[C@H](C)S(C)(=O)=O ZINC000233719953 388347874 /nfs/dbraw/zinc/34/78/74/388347874.db2.gz AGZFPDWGRFSRJD-VIFPVBQESA-N 0 3 223.338 0.436 20 0 BCADHN CC[C@@H](C)CNCc1cc(C(N)=O)no1 ZINC000276336839 388348910 /nfs/dbraw/zinc/34/89/10/388348910.db2.gz YHVLMRUTRMKOOF-SSDOTTSWSA-N 0 3 211.265 0.909 20 0 BCADHN COC(=O)[C@H](NCc1cn[nH]c1C)C1CC1 ZINC000276550141 388350035 /nfs/dbraw/zinc/35/00/35/388350035.db2.gz ZAOKHKKFOLEPMF-SNVBAGLBSA-N 0 3 223.276 0.759 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@H]1CCCS1 ZINC000087668252 135162936 /nfs/dbraw/zinc/16/29/36/135162936.db2.gz LTTFBZHCZFATBS-RKDXNWHRSA-N 0 3 237.390 0.905 20 0 BCADHN COC[C@@H](O)CN1C[C@H](C)OC2(CCC2)C1 ZINC000572998575 388404771 /nfs/dbraw/zinc/40/47/71/388404771.db2.gz FJSALVVNYQIWJT-QWRGUYRKSA-N 0 3 229.320 0.637 20 0 BCADHN CN1C[C@H](NC[C@@H](O)CC(F)(F)F)CC1=O ZINC000307948862 388357107 /nfs/dbraw/zinc/35/71/07/388357107.db2.gz MJKLBHMCTRPWJA-RQJHMYQMSA-N 0 3 240.225 0.120 20 0 BCADHN CC(C)C(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000646450058 388359701 /nfs/dbraw/zinc/35/97/01/388359701.db2.gz STLLIPWBCDHOQT-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN COCC[C@@](C)(O)CNCc1conc1C ZINC000293702465 388359834 /nfs/dbraw/zinc/35/98/34/388359834.db2.gz XETVCUOLWAEPGF-LLVKDONJSA-N 0 3 228.292 0.860 20 0 BCADHN COC[C@H](CO)NCc1cccs1 ZINC000234796900 388359981 /nfs/dbraw/zinc/35/99/81/388359981.db2.gz CGABJFQVSLMIOR-QMMMGPOBSA-N 0 3 201.291 0.845 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@@H]2C[C@@H](C)CCN2)C1 ZINC000234801398 388360601 /nfs/dbraw/zinc/36/06/01/388360601.db2.gz IIBWRBVGXUQREY-DCAQKATOSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@@H](C)OC[C@H](O)CN1CC[C@@H](OC)C1 ZINC000234839441 388360729 /nfs/dbraw/zinc/36/07/29/388360729.db2.gz VIECNKKDKMADAR-IJLUTSLNSA-N 0 3 247.335 0.120 20 0 BCADHN O=C(C[C@H]1CC[NH2+]C1)NCc1ncccc1[O-] ZINC000646451025 388361318 /nfs/dbraw/zinc/36/13/18/388361318.db2.gz DNQHTDNIIISSBW-SECBINFHSA-N 0 3 235.287 0.403 20 0 BCADHN COC[C@@H](CO)NCc1cccs1 ZINC000234873713 388361654 /nfs/dbraw/zinc/36/16/54/388361654.db2.gz CGABJFQVSLMIOR-MRVPVSSYSA-N 0 3 201.291 0.845 20 0 BCADHN CC[C@@H](N)C(=O)NCCNc1cccc(C)n1 ZINC000572648652 388362973 /nfs/dbraw/zinc/36/29/73/388362973.db2.gz LVBNKVMNTYAYCI-SNVBAGLBSA-N 0 3 236.319 0.655 20 0 BCADHN CN(C)[C@H]1CN(Cc2cncc(F)c2)C[C@@H]1O ZINC000518995971 256641917 /nfs/dbraw/zinc/64/19/17/256641917.db2.gz PLPXRKTZWONMQG-RYUDHWBXSA-N 0 3 239.294 0.327 20 0 BCADHN CC(C)N1CCC(CNS(C)(=O)=O)CC1 ZINC000038582551 388405217 /nfs/dbraw/zinc/40/52/17/388405217.db2.gz SIQBUXRUFFULRC-UHFFFAOYSA-N 0 3 234.365 0.656 20 0 BCADHN CCOC(=O)CCCN1CC[C@@H](CO)[C@H](O)C1 ZINC000572678321 388365429 /nfs/dbraw/zinc/36/54/29/388365429.db2.gz NFGPKOBHKSYASB-WDEREUQCSA-N 0 3 245.319 0.005 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cncc(Cl)n1 ZINC000235104851 388365623 /nfs/dbraw/zinc/36/56/23/388365623.db2.gz SYKWOUUAUADIKB-ZETCQYMHSA-N 0 3 242.710 0.810 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCc1ccncc1 ZINC000519151405 256643922 /nfs/dbraw/zinc/64/39/22/256643922.db2.gz WHRYKSMTKARQTD-VXGBXAGGSA-N 0 3 222.288 0.628 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@H](C)[C@@H]1CO ZINC000305171307 388366894 /nfs/dbraw/zinc/36/68/94/388366894.db2.gz JREHEISMFKZLRR-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1CCCN(CC(=O)NC2CC2)[C@@H]1CO ZINC000305168204 388367207 /nfs/dbraw/zinc/36/72/07/388367207.db2.gz INMPZZJOMLXBAK-MWLCHTKSSA-N 0 3 226.320 0.358 20 0 BCADHN COC[C@@H](C)CN1CCNC[C@H]1C(F)F ZINC000309607762 388368581 /nfs/dbraw/zinc/36/85/81/388368581.db2.gz YJOYGKSDVLTLAN-IUCAKERBSA-N 0 3 222.279 0.808 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1CCOC1)N(C)C ZINC000163866856 388368618 /nfs/dbraw/zinc/36/86/18/388368618.db2.gz ORLGMDPFUFLWNN-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@H](C[S@](C)=O)N[C@@H](C)c1ccnn1C ZINC000235466529 388369267 /nfs/dbraw/zinc/36/92/67/388369267.db2.gz BBZZTMBOEACREG-OLBFVZFUSA-N 0 3 229.349 0.838 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000227880895 388372830 /nfs/dbraw/zinc/37/28/30/388372830.db2.gz YMWXQCQVMJIDPN-JTQLQIEISA-N 0 3 249.314 0.541 20 0 BCADHN C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2)CCO1 ZINC000235718965 388374954 /nfs/dbraw/zinc/37/49/54/388374954.db2.gz WASKCASVUHJIEC-HBNTYKKESA-N 0 3 226.320 0.812 20 0 BCADHN C[C@H]1CCN(CCNC(=O)COCC2CC2)C1 ZINC000524719315 388376274 /nfs/dbraw/zinc/37/62/74/388376274.db2.gz DTGPJHVBBURNSM-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN Cc1ncncc1C(=O)NCCN1CC[C@H](C)C1 ZINC000524720445 388376661 /nfs/dbraw/zinc/37/66/61/388376661.db2.gz QTKJVCHNLKWJEE-JTQLQIEISA-N 0 3 248.330 0.857 20 0 BCADHN Cn1ccc(CNC[C@H]2CC[C@@H](O)C2)n1 ZINC000236101886 388378237 /nfs/dbraw/zinc/37/82/37/388378237.db2.gz HDRPRWCLOHBELC-GXSJLCMTSA-N 0 3 209.293 0.671 20 0 BCADHN CC(C)C[C@@](C)(CN)NC(=O)C(=O)NC1CC1 ZINC000236650930 388381714 /nfs/dbraw/zinc/38/17/14/388381714.db2.gz KBVHOAFNWMRWLS-LBPRGKRZSA-N 0 3 241.335 0.145 20 0 BCADHN CCOCCNC(=O)CN(C)C(C)(C)C ZINC000572875595 388382734 /nfs/dbraw/zinc/38/27/34/388382734.db2.gz PKGCEWPRYFFGAZ-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN COC1(C(=O)NCCN2CC[C@@H](C)C2)CC1 ZINC000648805027 388382878 /nfs/dbraw/zinc/38/28/78/388382878.db2.gz HXULFFBJBQVQFQ-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)C1(N)CCCC1 ZINC000236772072 388383251 /nfs/dbraw/zinc/38/32/51/388383251.db2.gz UWAQMHKKGQTQBE-JTQLQIEISA-N 0 3 228.336 0.781 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@@H](C)C(=O)OC ZINC000236802740 388383520 /nfs/dbraw/zinc/38/35/20/388383520.db2.gz BBXIZLOVGCOKOX-BDAKNGLRSA-N 0 3 230.308 0.429 20 0 BCADHN OC[C@H]1CN(CCOc2ccccc2)C[C@@H]1O ZINC000316063994 388406011 /nfs/dbraw/zinc/40/60/11/388406011.db2.gz HKSBNSYTUOEQMK-YPMHNXCESA-N 0 3 237.299 0.350 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)C(C)(C)N ZINC000236867077 388384291 /nfs/dbraw/zinc/38/42/91/388384291.db2.gz CIXHJWDARNGSJH-HTQZYQBOSA-N 0 3 202.298 0.247 20 0 BCADHN CO[C@@H](CNCc1cncn1C)C1CC1 ZINC000292908826 388384911 /nfs/dbraw/zinc/38/49/11/388384911.db2.gz FGXFSDXSHCWMGX-NSHDSACASA-N 0 3 209.293 0.935 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)C[C@@H]1CCOC1 ZINC000236883484 388385482 /nfs/dbraw/zinc/38/54/82/388385482.db2.gz VPWWYTUWPZBKCY-VWYCJHECSA-N 0 3 228.336 0.855 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)CC(F)(F)CN)C1 ZINC000572894709 388386225 /nfs/dbraw/zinc/38/62/25/388386225.db2.gz CINQBPICSHITGV-SECBINFHSA-N 0 3 249.305 0.523 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](O)C(C)(C)C ZINC000237075004 388388675 /nfs/dbraw/zinc/38/86/75/388388675.db2.gz SHGYEBWCORMVRA-IVZWLZJFSA-N 0 3 230.352 0.883 20 0 BCADHN CCC(=O)N[C@@H](C)C(=O)Nc1cccc(CN)c1 ZINC000646580598 388389984 /nfs/dbraw/zinc/38/99/84/388389984.db2.gz GWCVUGLEAPOCHH-VIFPVBQESA-N 0 3 249.314 0.999 20 0 BCADHN CNCc1cccc(NC(=O)[C@H]2COCCN2)c1 ZINC000237232490 388391989 /nfs/dbraw/zinc/39/19/89/388391989.db2.gz SEGSYBZWACMMOC-GFCCVEGCSA-N 0 3 249.314 0.333 20 0 BCADHN COC[C@@](C)(O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000524747817 388407068 /nfs/dbraw/zinc/40/70/68/388407068.db2.gz MMBDZLSCLGGASS-PWSUYJOCSA-N 0 3 246.351 0.086 20 0 BCADHN CO[C@@H](CNC(=O)C1(N)CC1)C(C)(C)C ZINC000237318510 388393019 /nfs/dbraw/zinc/39/30/19/388393019.db2.gz ZZWZLHWGOWGCPY-QMMMGPOBSA-N 0 3 214.309 0.655 20 0 BCADHN CSC[C@H](C)C(=O)N1CCCNCC1 ZINC000237364528 388393552 /nfs/dbraw/zinc/39/35/52/388393552.db2.gz MWWDUJGMIVDLNC-VIFPVBQESA-N 0 3 216.350 0.807 20 0 BCADHN CN(CCCc1nc2ccccc2[nH]1)C(=O)CN ZINC000520409449 256672724 /nfs/dbraw/zinc/67/27/24/256672724.db2.gz KLVJHOFAWFDCOZ-UHFFFAOYSA-N 0 3 246.314 0.913 20 0 BCADHN C[C@]1(C(=O)NCc2ccc(=O)[nH]c2)CCCCN1 ZINC000237765337 388397860 /nfs/dbraw/zinc/39/78/60/388397860.db2.gz RZOGXWWXWTXEPS-CYBMUJFWSA-N 0 3 249.314 0.936 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)NCC(F)F ZINC000237776688 388397939 /nfs/dbraw/zinc/39/79/39/388397939.db2.gz LUEGNQVHNRJHSS-ZETCQYMHSA-N 0 3 222.235 0.136 20 0 BCADHN CN(CCCc1cncn1C)Cc1nnc[nH]1 ZINC000520603807 256675459 /nfs/dbraw/zinc/67/54/59/256675459.db2.gz BJDYRZRXIGKDFJ-UHFFFAOYSA-N 0 3 234.307 0.603 20 0 BCADHN CC[C@]1(C)CCN([C@@H]2CC(=O)NC2=O)C1 ZINC000572981215 388402651 /nfs/dbraw/zinc/40/26/51/388402651.db2.gz VQMJZFWJSZWSRM-LDYMZIIASA-N 0 3 210.277 0.524 20 0 BCADHN CC(C)[C@H](C(=O)N1C[C@H]2[C@H](CO)[C@H]2C1)N(C)C ZINC000646651809 388402828 /nfs/dbraw/zinc/40/28/28/388402828.db2.gz JLXQEPCQNCKITA-NOOOWODRSA-N 0 3 240.347 0.269 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@H](O)c1ccccc1 ZINC000492155253 388336559 /nfs/dbraw/zinc/33/65/59/388336559.db2.gz HPNFOWIRVZLEGL-XURPKSDJSA-N 0 3 248.326 0.954 20 0 BCADHN C[C@@H](CCCO)NC(=O)/C=C\CN(C)C ZINC000492165273 388337183 /nfs/dbraw/zinc/33/71/83/388337183.db2.gz XZDVXSYZABFBBG-VAWSOJLPSA-N 0 3 214.309 0.381 20 0 BCADHN COC(C)(C)CCN1CCN2C(=O)OC[C@@H]2C1 ZINC000492186238 388337642 /nfs/dbraw/zinc/33/76/42/388337642.db2.gz AFVLTAYJMDJEKR-JTQLQIEISA-N 0 3 242.319 0.938 20 0 BCADHN Cc1cc(NC(=O)/C=C\CN(C)C)cn(C)c1=O ZINC000492196513 388337867 /nfs/dbraw/zinc/33/78/67/388337867.db2.gz BOGGRBSYGVZSDV-WAYWQWQTSA-N 0 3 249.314 0.750 20 0 BCADHN CN(C)C/C=C\C(=O)Nc1cnc(N(C)C)nc1 ZINC000492205862 388338355 /nfs/dbraw/zinc/33/83/55/388338355.db2.gz CXMOCVWFXBZWBD-WAYWQWQTSA-N 0 3 249.318 0.599 20 0 BCADHN Cc1cnc(CCNC(=O)/C=C/CN(C)C)nc1 ZINC000492248534 388339397 /nfs/dbraw/zinc/33/93/97/388339397.db2.gz NERCLOQLCWATOC-SNAWJCMRSA-N 0 3 248.330 0.562 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCOC[C@H]1C1CC1 ZINC000492250215 388339471 /nfs/dbraw/zinc/33/94/71/388339471.db2.gz IDYACRFCGXDDPE-MVZIDQBPSA-N 0 3 238.331 0.742 20 0 BCADHN CCc1nocc1CNC[C@](C)(O)COC ZINC000378664069 388480379 /nfs/dbraw/zinc/48/03/79/388480379.db2.gz DTFSORXBCUNHLQ-NSHDSACASA-N 0 3 228.292 0.724 20 0 BCADHN COc1nccc(CNC(C)(C)CN(C)C)n1 ZINC000308607727 388445131 /nfs/dbraw/zinc/44/51/31/388445131.db2.gz IYSZGTAGKMHBSY-UHFFFAOYSA-N 0 3 238.335 0.915 20 0 BCADHN CN(C)CC(C)(C)NCC(=O)N(C)C1CC1 ZINC000308632208 388445751 /nfs/dbraw/zinc/44/57/51/388445751.db2.gz PJWZTKTVUVHHPV-UHFFFAOYSA-N 0 3 227.352 0.537 20 0 BCADHN CC[C@H](C)NC(=O)CNC(C)(C)CN(C)C ZINC000308633870 388446005 /nfs/dbraw/zinc/44/60/05/388446005.db2.gz WNDZEXZGQLCDQN-JTQLQIEISA-N 0 3 229.368 0.831 20 0 BCADHN CCN(C)C(=O)CNC(C)(C)CN(C)C ZINC000308632165 388446128 /nfs/dbraw/zinc/44/61/28/388446128.db2.gz PASAVVGHJPVPHQ-UHFFFAOYSA-N 0 3 215.341 0.395 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000246796206 388446729 /nfs/dbraw/zinc/44/67/29/388446729.db2.gz SNFLGYNUIIJWAG-UTLUCORTSA-N 0 3 241.335 0.938 20 0 BCADHN CCS(=O)(=O)NC(C)(C)CN1CCCC1 ZINC000308681926 388447769 /nfs/dbraw/zinc/44/77/69/388447769.db2.gz AGBZVOWKWKPGQL-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@@H](C)N1 ZINC000646737057 388447938 /nfs/dbraw/zinc/44/79/38/388447938.db2.gz QFAWNLRXBZOYSJ-IJLUTSLNSA-N 0 3 239.363 0.680 20 0 BCADHN Cc1cc(NC(=O)[C@H](N)C2CCC2)ccn1 ZINC000335192410 388449030 /nfs/dbraw/zinc/44/90/30/388449030.db2.gz HXOJJDJZUVVQAY-LLVKDONJSA-N 0 3 219.288 0.878 20 0 BCADHN CC[C@H](NC(=O)CN(CC)CC)C(=O)OC ZINC000176194908 388450836 /nfs/dbraw/zinc/45/08/36/388450836.db2.gz NUHBCUZDYPOOPQ-VIFPVBQESA-N 0 3 230.308 0.396 20 0 BCADHN Cc1nn(C)cc1CN[C@@H]1CO[C@@H](C)C1 ZINC000335426485 388451120 /nfs/dbraw/zinc/45/11/20/388451120.db2.gz WSKUPKNNHKKJKB-KWQFWETISA-N 0 3 209.293 0.996 20 0 BCADHN CCCN(C)CC(=O)N1CCO[C@H]2C[C@H]21 ZINC000646743220 388451292 /nfs/dbraw/zinc/45/12/92/388451292.db2.gz JWEGBBIWNUMJQG-ZJUUUORDSA-N 0 3 212.293 0.328 20 0 BCADHN C[C@@H]1C[C@H](CNC(=O)C(C)(C)N)CCO1 ZINC000335632259 388453199 /nfs/dbraw/zinc/45/31/99/388453199.db2.gz FLNLSTHXCDJDHI-RKDXNWHRSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCN(C)C[C@H]1C ZINC000335663457 388454249 /nfs/dbraw/zinc/45/42/49/388454249.db2.gz PYCQIEIAPXJIRZ-NXEZZACHSA-N 0 3 225.336 0.289 20 0 BCADHN Cc1cnn(CCN2C[C@H](O)C(C)(C)C2)c1 ZINC000335935025 388455407 /nfs/dbraw/zinc/45/54/07/388455407.db2.gz ZGSVSGFNKSNACB-NSHDSACASA-N 0 3 223.320 0.894 20 0 BCADHN CC(C)N(C)C(=O)CN1CCC[C@@H](O)CC1 ZINC000335911822 388455454 /nfs/dbraw/zinc/45/54/54/388455454.db2.gz DJOLUAWAMIQJOQ-LLVKDONJSA-N 0 3 228.336 0.700 20 0 BCADHN Cc1ccncc1CNC[C@H]1COCCN1C ZINC000623713171 388456510 /nfs/dbraw/zinc/45/65/10/388456510.db2.gz USJUTBYQHOWCNS-ZDUSSCGKSA-N 0 3 235.331 0.810 20 0 BCADHN C[C@]1(CNC(=O)[C@@H]2CCCCN2)CCOC1 ZINC000336099405 388456669 /nfs/dbraw/zinc/45/66/69/388456669.db2.gz QSHKEWAIYJZIBZ-CMPLNLGQSA-N 0 3 226.320 0.671 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H](CO)C1CC1 ZINC000336658968 388460358 /nfs/dbraw/zinc/46/03/58/388460358.db2.gz BGGLRVNGXSCEJK-NSHDSACASA-N 0 3 209.293 0.826 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NC1CCOCC1 ZINC000195131703 388460515 /nfs/dbraw/zinc/46/05/15/388460515.db2.gz CSXLPNRFPXPBMK-LLVKDONJSA-N 0 3 241.335 0.559 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NC1CCOCC1 ZINC000195131714 388460730 /nfs/dbraw/zinc/46/07/30/388460730.db2.gz CSXLPNRFPXPBMK-NSHDSACASA-N 0 3 241.335 0.559 20 0 BCADHN CSC[C@@H](CCO)NCc1cnc(C)nc1 ZINC000336712269 388466382 /nfs/dbraw/zinc/46/63/82/388466382.db2.gz SRDIQIPCCHFAAU-LLVKDONJSA-N 0 3 241.360 0.989 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]CCN2CCC2)n1 ZINC000336708382 388466475 /nfs/dbraw/zinc/46/64/75/388466475.db2.gz QTRQNCFZZAXTSN-UHFFFAOYSA-N 0 3 221.304 0.891 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H]1CCC[C@H]1OC ZINC000309832701 388466655 /nfs/dbraw/zinc/46/66/55/388466655.db2.gz ZBCYEYIFNHMRBJ-LPEHRKFASA-N 0 3 214.309 0.655 20 0 BCADHN COC[C@H](C)N(C)C[C@H]1COCCO1 ZINC000649249306 388469200 /nfs/dbraw/zinc/46/92/00/388469200.db2.gz KAJDFDRZNCMVPX-UWVGGRQHSA-N 0 3 203.282 0.369 20 0 BCADHN CNC(=O)[C@@H](NC[C@@H]1CC[C@H](C)O1)C(C)C ZINC000309961778 388469539 /nfs/dbraw/zinc/46/95/39/388469539.db2.gz LPNYPMQTVWAYBE-DCAQKATOSA-N 0 3 228.336 0.914 20 0 BCADHN C[C@@H]1[C@H](C(=O)NCc2ncccc2[O-])CC[N@@H+]1C ZINC000648886995 388481654 /nfs/dbraw/zinc/48/16/54/388481654.db2.gz DLIJGSVLJJYLFJ-NXEZZACHSA-N 0 3 249.314 0.744 20 0 BCADHN C[C@@H]1[C@H](C(=O)NCc2ncccc2[O-])CC[N@H+]1C ZINC000648886995 388481657 /nfs/dbraw/zinc/48/16/57/388481657.db2.gz DLIJGSVLJJYLFJ-NXEZZACHSA-N 0 3 249.314 0.744 20 0 BCADHN NC1(C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)CC1 ZINC000516048551 256762723 /nfs/dbraw/zinc/76/27/23/256762723.db2.gz JNEGXVOYZYSLMS-DJLDLDEBSA-N 0 3 210.277 0.161 20 0 BCADHN CC(C(=O)N1CCC1(C)C)S(C)(=O)=O ZINC000524819038 388410972 /nfs/dbraw/zinc/41/09/72/388410972.db2.gz XZHYOMQIOGNCPE-SSDOTTSWSA-N 0 3 219.306 0.430 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000516067543 256763670 /nfs/dbraw/zinc/76/36/70/256763670.db2.gz AMCXGSMHQBUDSR-UJNFCWOMSA-N 0 3 212.293 0.407 20 0 BCADHN Cc1ccc(F)cc1CN1C[C@H](CO)[C@H](O)C1 ZINC000316531259 388415929 /nfs/dbraw/zinc/41/59/29/388415929.db2.gz PRFORUQRDPIBHM-DGCLKSJQSA-N 0 3 239.290 0.919 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCCCC(N)=O)C1 ZINC000573107194 388419677 /nfs/dbraw/zinc/41/96/77/388419677.db2.gz QWDDBZQVAYBJDU-SNVBAGLBSA-N 0 3 241.335 0.100 20 0 BCADHN COc1nccc(CNCCC2(O)CCC2)n1 ZINC000296632709 388425185 /nfs/dbraw/zinc/42/51/85/388425185.db2.gz BWCKJRYZJJIGSD-UHFFFAOYSA-N 0 3 237.303 0.880 20 0 BCADHN CC(C)N(C)CC(=O)N1CCO[C@@H](C)[C@H]1C ZINC000166302215 388425390 /nfs/dbraw/zinc/42/53/90/388425390.db2.gz HAVPINBVTHMABH-MNOVXSKESA-N 0 3 228.336 0.962 20 0 BCADHN COC1(CCNC2(C(N)=O)CC2)CCC1 ZINC000339077989 388479851 /nfs/dbraw/zinc/47/98/51/388479851.db2.gz BZWPOBIAHWSNLP-UHFFFAOYSA-N 0 3 212.293 0.553 20 0 BCADHN Cc1cccc(CN2C[C@H](O)[C@@H](N(C)C)C2)n1 ZINC000573217621 388432484 /nfs/dbraw/zinc/43/24/84/388432484.db2.gz KYYUYVNMNHNBCU-STQMWFEESA-N 0 3 235.331 0.497 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1CCc1cn[nH]c1 ZINC000298049630 388434210 /nfs/dbraw/zinc/43/42/10/388434210.db2.gz IJWIBMNYNRHIIL-MWLCHTKSSA-N 0 3 209.293 0.797 20 0 BCADHN CCN(CC[C@@H]1CCNC1=O)C1COC1 ZINC000573263760 388436958 /nfs/dbraw/zinc/43/69/58/388436958.db2.gz IFBQTWWATULMKF-VIFPVBQESA-N 0 3 212.293 0.233 20 0 BCADHN CN(C)CCSc1nnc(N)s1 ZINC000001759914 388437859 /nfs/dbraw/zinc/43/78/59/388437859.db2.gz YMJLHUGYUYYQEI-UHFFFAOYSA-N 0 3 204.324 0.774 20 0 BCADHN Cc1ccc(CN2CCC(O)(C(N)=O)CC2)cc1 ZINC000298368933 388438640 /nfs/dbraw/zinc/43/86/40/388438640.db2.gz CVHOJASDGHSOLN-UHFFFAOYSA-N 0 3 248.326 0.807 20 0 BCADHN CCN(C[C@@H]1CCCN1CC)C(=O)COC ZINC000548453716 388539125 /nfs/dbraw/zinc/53/91/25/388539125.db2.gz KSSDPNODNMOLEA-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CC1(C)CC(CN2CCOC[C@@H]2CC(N)=O)C1 ZINC000528515104 388539870 /nfs/dbraw/zinc/53/98/70/388539870.db2.gz DUMGCAYRHXZRET-NSHDSACASA-N 0 3 240.347 0.999 20 0 BCADHN CC[C@H](N)C(=O)Nc1nnc2n1CCCC2 ZINC000517139281 388539978 /nfs/dbraw/zinc/53/99/78/388539978.db2.gz DMBVPMMZNSTQBD-ZETCQYMHSA-N 0 3 223.280 0.290 20 0 BCADHN COC[C@H](N[C@@H]1CCN(C)C1=O)C1CC1 ZINC000136634677 388543412 /nfs/dbraw/zinc/54/34/12/388543412.db2.gz MENRPVVCVUBIFS-ZJUUUORDSA-N 0 3 212.293 0.232 20 0 BCADHN COC[C@H](N[C@H]1CCN(C)C1=O)C1CC1 ZINC000136634645 388543810 /nfs/dbraw/zinc/54/38/10/388543810.db2.gz MENRPVVCVUBIFS-UWVGGRQHSA-N 0 3 212.293 0.232 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2ccncc2C)C1 ZINC000528526006 388544073 /nfs/dbraw/zinc/54/40/73/388544073.db2.gz HUXLZWSTHSODSF-LBPRGKRZSA-N 0 3 233.315 0.958 20 0 BCADHN Cc1cnccc1CN1CC[C@@H](O)[C@H](CO)C1 ZINC000528527987 388544083 /nfs/dbraw/zinc/54/40/83/388544083.db2.gz VQLSKUKBKPNFSV-QWHCGFSZSA-N 0 3 236.315 0.565 20 0 BCADHN Cc1cnccc1CN1CC[C@H](O)[C@@H](CO)C1 ZINC000528527984 388544121 /nfs/dbraw/zinc/54/41/21/388544121.db2.gz VQLSKUKBKPNFSV-OLZOCXBDSA-N 0 3 236.315 0.565 20 0 BCADHN CO[C@@H]1COC[C@H]1NCC1=CCCOC1 ZINC000517235879 388544438 /nfs/dbraw/zinc/54/44/38/388544438.db2.gz ZLJQXRXVFAKWHG-GHMZBOCLSA-N 0 3 213.277 0.337 20 0 BCADHN O[C@H](CN1CC[C@@]2(O)C[C@H]2C1)CC1(O)CCC1 ZINC000528551697 388546093 /nfs/dbraw/zinc/54/60/93/388546093.db2.gz JBTWGDSWKWJVIE-GMXVVIOVSA-N 0 3 241.331 0.109 20 0 BCADHN CCCN(C)CC(=O)NCc1cc(C)on1 ZINC000517343078 388546901 /nfs/dbraw/zinc/54/69/01/388546901.db2.gz BYHKBNUYSZYCPE-UHFFFAOYSA-N 0 3 225.292 0.941 20 0 BCADHN Cc1nc(CCNCc2conc2C)n[nH]1 ZINC000339332429 388482161 /nfs/dbraw/zinc/48/21/61/388482161.db2.gz PJJGCZRRRMXXGX-UHFFFAOYSA-N 0 3 221.264 0.742 20 0 BCADHN Cc1n[nH]c(CCNCc2conc2C)n1 ZINC000339332429 388482163 /nfs/dbraw/zinc/48/21/63/388482163.db2.gz PJJGCZRRRMXXGX-UHFFFAOYSA-N 0 3 221.264 0.742 20 0 BCADHN CC1(C)CNCCN1C(=O)Cc1ccon1 ZINC000649273527 388484396 /nfs/dbraw/zinc/48/43/96/388484396.db2.gz PIORIFQAVUFONU-UHFFFAOYSA-N 0 3 223.276 0.428 20 0 BCADHN COc1nccc(CNCC[C@@H](C)CCO)n1 ZINC000397623164 388485373 /nfs/dbraw/zinc/48/53/73/388485373.db2.gz IKPGCPPTUYZMHC-SNVBAGLBSA-N 0 3 239.319 0.983 20 0 BCADHN Cn1cncc1CN1CCC[C@@H](O)CC1 ZINC000339778821 388486415 /nfs/dbraw/zinc/48/64/15/388486415.db2.gz HHJPOJMXIYRZFB-LLVKDONJSA-N 0 3 209.293 0.767 20 0 BCADHN COC(=O)CNC(=O)CN(C)CCC1CC1 ZINC000135249699 388486467 /nfs/dbraw/zinc/48/64/67/388486467.db2.gz UJBIXCJNLILNPI-UHFFFAOYSA-N 0 3 228.292 0.008 20 0 BCADHN COC(=O)CCCN1CCC[C@H](O)CC1 ZINC000339788722 388486740 /nfs/dbraw/zinc/48/67/40/388486740.db2.gz WALVAFRHKMTFRU-JTQLQIEISA-N 0 3 215.293 0.786 20 0 BCADHN CC1(C)OCC[C@@H]1NCC(=O)NCC(F)F ZINC000340375434 388490077 /nfs/dbraw/zinc/49/00/77/388490077.db2.gz HIBPQIIQPLSHSX-ZETCQYMHSA-N 0 3 236.262 0.525 20 0 BCADHN O=C(C1CCN(CCO)CC1)N1CCCCC1 ZINC000177692756 388490226 /nfs/dbraw/zinc/49/02/26/388490226.db2.gz FPXDMAXQFRRMGD-UHFFFAOYSA-N 0 3 240.347 0.703 20 0 BCADHN COC[C@@H](C)N[C@H](C)C(=O)NC(C)C ZINC000034937198 388493296 /nfs/dbraw/zinc/49/32/96/388493296.db2.gz LEYQTSFMYAMGSC-RKDXNWHRSA-N 0 3 202.298 0.524 20 0 BCADHN CC[C@H]1CN(CCn2cc(C)cn2)C[C@@H]1O ZINC000341006904 388493901 /nfs/dbraw/zinc/49/39/01/388493901.db2.gz DVXXHTPRCUZCTL-RYUDHWBXSA-N 0 3 223.320 0.894 20 0 BCADHN CC[C@H]1CN(CCN2CCOCC2)C[C@@H]1O ZINC000341017961 388494580 /nfs/dbraw/zinc/49/45/80/388494580.db2.gz PBSYWTYCAIZINX-RYUDHWBXSA-N 0 3 228.336 0.021 20 0 BCADHN Cc1nn(C)cc1CNCCc1cnccn1 ZINC000341266472 388495458 /nfs/dbraw/zinc/49/54/58/388495458.db2.gz JBLWOBZFHNKDNG-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN COC[C@@H](O)CNCc1cnccc1C ZINC000135461786 388497168 /nfs/dbraw/zinc/49/71/68/388497168.db2.gz AWBURANTMZKMQE-NSHDSACASA-N 0 3 210.277 0.487 20 0 BCADHN CN(CC(=O)N(C)C1CC1)C[C@H]1CCOC1 ZINC000178348589 388498435 /nfs/dbraw/zinc/49/84/35/388498435.db2.gz UYOZKLPMDQVUMM-SNVBAGLBSA-N 0 3 226.320 0.576 20 0 BCADHN O[C@@H]1CN(CCCCC2CCOCC2)C[C@H]1O ZINC000302292746 388502610 /nfs/dbraw/zinc/50/26/10/388502610.db2.gz XUTLBFUBPBDZNG-CHWSQXEVSA-N 0 3 243.347 0.621 20 0 BCADHN C[C@H](CC(N)=O)N[C@H](C)c1ccccn1 ZINC000135808343 388509156 /nfs/dbraw/zinc/50/91/56/388509156.db2.gz JDOQFPMJZRUTFS-RKDXNWHRSA-N 0 3 207.277 0.996 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)C1 ZINC000517375383 388549443 /nfs/dbraw/zinc/54/94/43/388549443.db2.gz VUGDRJCHFDKBNV-MNOVXSKESA-N 0 3 238.331 0.956 20 0 BCADHN Cc1cc(CNC[C@@H](O)Cn2cccn2)n(C)n1 ZINC000516646878 388513467 /nfs/dbraw/zinc/51/34/67/388513467.db2.gz XLUSYJBDELSLOB-GFCCVEGCSA-N 0 3 249.318 0.076 20 0 BCADHN CN(C[C@H](O)CC1(O)CCC1)[C@H]1CCOC1 ZINC000528379712 388517796 /nfs/dbraw/zinc/51/77/96/388517796.db2.gz MNAIBWXIBBRKNJ-WDEREUQCSA-N 0 3 229.320 0.373 20 0 BCADHN CC[C@@](C)(CO)NC(=O)C1CCN(C)CC1 ZINC000516803505 388518422 /nfs/dbraw/zinc/51/84/22/388518422.db2.gz UNEXZIGOZIEAEM-LBPRGKRZSA-N 0 3 228.336 0.605 20 0 BCADHN CN1CCN(C(=O)NC(C)(C)C)[C@H](CN)C1 ZINC000087613617 388521402 /nfs/dbraw/zinc/52/14/02/388521402.db2.gz LBOWAGVKWBNYGQ-SECBINFHSA-N 0 3 228.340 0.069 20 0 BCADHN CCO[C@H]1COCC[C@H]1NCC(=O)N1CCC1 ZINC000548211600 388521907 /nfs/dbraw/zinc/52/19/07/388521907.db2.gz XFQHBRWTYFNMEM-MNOVXSKESA-N 0 3 242.319 0.002 20 0 BCADHN C[C@]1(O)CC[N@H+](Cc2ncccc2[O-])C1 ZINC000516894117 388522451 /nfs/dbraw/zinc/52/24/51/388522451.db2.gz PKZXMJAWCCOVLE-NSHDSACASA-N 0 3 208.261 0.744 20 0 BCADHN C[C@]1(O)CC[N@@H+](Cc2ncccc2[O-])C1 ZINC000516894117 388522455 /nfs/dbraw/zinc/52/24/55/388522455.db2.gz PKZXMJAWCCOVLE-NSHDSACASA-N 0 3 208.261 0.744 20 0 BCADHN C[C@@]1(O)CC[N@H+](Cc2ncccc2[O-])C1 ZINC000516894116 388522639 /nfs/dbraw/zinc/52/26/39/388522639.db2.gz PKZXMJAWCCOVLE-LLVKDONJSA-N 0 3 208.261 0.744 20 0 BCADHN C[C@@]1(O)CC[N@@H+](Cc2ncccc2[O-])C1 ZINC000516894116 388522640 /nfs/dbraw/zinc/52/26/40/388522640.db2.gz PKZXMJAWCCOVLE-LLVKDONJSA-N 0 3 208.261 0.744 20 0 BCADHN CC(C)[C@@H](C(=O)NC1COCCOC1)N(C)C ZINC000646803938 388522699 /nfs/dbraw/zinc/52/26/99/388522699.db2.gz MVTFLJQRWVLJAQ-NSHDSACASA-N 0 3 244.335 0.104 20 0 BCADHN O=C1CCCN1CCN1CCNC[C@@H]1C(F)F ZINC000516867674 388522908 /nfs/dbraw/zinc/52/29/08/388522908.db2.gz KTFIZPDCJIIQLB-SECBINFHSA-N 0 3 247.289 0.148 20 0 BCADHN Cc1cnccc1CN1C[C@H](O)C[C@H]1CO ZINC000528427341 388523816 /nfs/dbraw/zinc/52/38/16/388523816.db2.gz JXWXZJLFMOOKNE-NWDGAFQWSA-N 0 3 222.288 0.318 20 0 BCADHN C[C@@]1(O)CCCN(C[C@H](O)CC2(O)CCC2)C1 ZINC000528433385 388524582 /nfs/dbraw/zinc/52/45/82/388524582.db2.gz RFDKPSYGFBQPIH-VXGBXAGGSA-N 0 3 243.347 0.499 20 0 BCADHN C[C@@]1(O)CCCN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000528433376 388525230 /nfs/dbraw/zinc/52/52/30/388525230.db2.gz RFDKPSYGFBQPIH-NWDGAFQWSA-N 0 3 243.347 0.499 20 0 BCADHN CC[C@](C)(CO)C(=O)NC[C@@H]1CCCN1C ZINC000520836201 388525359 /nfs/dbraw/zinc/52/53/59/388525359.db2.gz IYNMLBSIKKYBPC-CMPLNLGQSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H]1CN([C@H]2CCCN(C)C2=O)CC[C@H]1O ZINC000548302583 388526718 /nfs/dbraw/zinc/52/67/18/388526718.db2.gz KSCCRCWKKUQNNM-OUAUKWLOSA-N 0 3 226.320 0.310 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N(C)CCCCO ZINC000349919676 388529209 /nfs/dbraw/zinc/52/92/09/388529209.db2.gz ICEWDHIYUWOFHL-LLVKDONJSA-N 0 3 230.352 0.948 20 0 BCADHN CC[C@]1(C)CCCN([C@@H]2CC(=O)NC2=O)C1 ZINC000516977953 388529453 /nfs/dbraw/zinc/52/94/53/388529453.db2.gz LXQYMELVQJZHNH-BXKDBHETSA-N 0 3 224.304 0.914 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC2(O)CCC2)CC[C@@H]1O ZINC000528464483 388529723 /nfs/dbraw/zinc/52/97/23/388529723.db2.gz LYXVUQPNVJQYDF-WOPDTQHZSA-N 0 3 243.347 0.355 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2cccnn2)C1 ZINC000528486503 388533705 /nfs/dbraw/zinc/53/37/05/388533705.db2.gz NHEKZCSGBXMRMH-SNVBAGLBSA-N 0 3 234.303 0.548 20 0 BCADHN COC(=O)CCCN1C[C@H](C)[C@H](O)C1 ZINC000351809431 388534522 /nfs/dbraw/zinc/53/45/22/388534522.db2.gz LOWHBUULENJNAB-DTWKUNHWSA-N 0 3 201.266 0.252 20 0 BCADHN C[C@H]([NH3+])c1ccc(CNC(=O)c2c[n-]nn2)cc1 ZINC000646804936 388534645 /nfs/dbraw/zinc/53/46/45/388534645.db2.gz KXBIGXXFMPMEAU-QMMMGPOBSA-N 0 3 245.286 0.754 20 0 BCADHN C[C@H]([NH3+])c1ccc(CNC(=O)c2cnn[n-]2)cc1 ZINC000646804936 388534647 /nfs/dbraw/zinc/53/46/47/388534647.db2.gz KXBIGXXFMPMEAU-QMMMGPOBSA-N 0 3 245.286 0.754 20 0 BCADHN C[C@H]([NH3+])c1ccc(CNC(=O)c2cn[n-]n2)cc1 ZINC000646804936 388534649 /nfs/dbraw/zinc/53/46/49/388534649.db2.gz KXBIGXXFMPMEAU-QMMMGPOBSA-N 0 3 245.286 0.754 20 0 BCADHN COC(=O)CCCN1C[C@@H](C)[C@H](O)C1 ZINC000351809434 388534644 /nfs/dbraw/zinc/53/46/44/388534644.db2.gz LOWHBUULENJNAB-RKDXNWHRSA-N 0 3 201.266 0.252 20 0 BCADHN CC1(C)OCC[C@@H]1NCC(=O)N1CCOCC1 ZINC000328212357 388586605 /nfs/dbraw/zinc/58/66/05/388586605.db2.gz KRFXIDWVCWLPLZ-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN CCO[C@H](C)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000261546608 388587363 /nfs/dbraw/zinc/58/73/63/388587363.db2.gz LAPVOASQCDTALD-IVZWLZJFSA-N 0 3 214.309 0.620 20 0 BCADHN COC(=O)CNC(=O)[C@H]1CNCc2ccccc21 ZINC000082796484 388587938 /nfs/dbraw/zinc/58/79/38/388587938.db2.gz OUCMYKRKLOADSI-NSHDSACASA-N 0 3 248.282 0.163 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CC[C@H](O)CC1 ZINC000245538617 388588639 /nfs/dbraw/zinc/58/86/39/388588639.db2.gz JHTRPLXCGKFUQU-XYPYZODXSA-N 0 3 228.336 0.746 20 0 BCADHN CC[C@H](N)C(=O)NCCN1Cc2ccccc2C1 ZINC000649306495 388591646 /nfs/dbraw/zinc/59/16/46/388591646.db2.gz VHUCCRLJNAGMSX-ZDUSSCGKSA-N 0 3 247.342 0.856 20 0 BCADHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C[C@H]1CCCO1 ZINC000549996468 388596800 /nfs/dbraw/zinc/59/68/00/388596800.db2.gz DBQUIMYJHKRUDA-WYUUTHIRSA-N 0 3 238.331 0.751 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@H]1CCCC[C@@H]1O ZINC000081901072 388597369 /nfs/dbraw/zinc/59/73/69/388597369.db2.gz MDZNGQLWJKTCNC-GUBZILKMSA-N 0 3 235.349 0.313 20 0 BCADHN CCN(CC)CC(=O)NCC(F)(F)CO ZINC000186101652 388597635 /nfs/dbraw/zinc/59/76/35/388597635.db2.gz DBGQCDUGHFYKPB-UHFFFAOYSA-N 0 3 224.251 0.072 20 0 BCADHN CCS(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000106891542 388598739 /nfs/dbraw/zinc/59/87/39/388598739.db2.gz HAAULMNJULCHCE-SNVBAGLBSA-N 0 3 246.376 0.943 20 0 BCADHN C[C@H]1CCN(CC(=O)NCC2COC2)C1 ZINC000530118261 388611643 /nfs/dbraw/zinc/61/16/43/388611643.db2.gz FSOBHGBYHQRIMI-VIFPVBQESA-N 0 3 212.293 0.091 20 0 BCADHN COC[C@H]1CCCN([C@@H]2COC[C@H]2O)C1 ZINC000550708230 388613582 /nfs/dbraw/zinc/61/35/82/388613582.db2.gz FVGUKYVUYXIVKZ-HBNTYKKESA-N 0 3 215.293 0.105 20 0 BCADHN C[C@H](O)CCN[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246053663 388614813 /nfs/dbraw/zinc/61/48/13/388614813.db2.gz PZZWRLBVQSXFIO-GARJFASQSA-N 0 3 249.376 0.703 20 0 BCADHN COC(=O)CNC(=O)[C@@H](C)N(C)CC1CC1 ZINC000080052914 388551455 /nfs/dbraw/zinc/55/14/55/388551455.db2.gz XOWGUBJBWLREBW-MRVPVSSYSA-N 0 3 228.292 0.006 20 0 BCADHN CC1(C(N)=O)CN(CC[C@H]2CCCCO2)C1 ZINC000517562413 388552939 /nfs/dbraw/zinc/55/29/39/388552939.db2.gz QAXSNJZBZKHBQC-SNVBAGLBSA-N 0 3 226.320 0.753 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000528663803 388556672 /nfs/dbraw/zinc/55/66/72/388556672.db2.gz UQJCMYLPTJBFHA-XXFSISAASA-N 0 3 228.336 0.898 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC(CCCO)CC1 ZINC000360098048 388558105 /nfs/dbraw/zinc/55/81/05/388558105.db2.gz MMEVSNZSJXTLFS-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CNC(=O)CCCN1CCC[C@H]1C(=O)N(C)C ZINC000528681967 388558170 /nfs/dbraw/zinc/55/81/70/388558170.db2.gz HEWYRPLYNTWCKO-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN COC[C@@H](C)N1CCC(F)(F)[C@@H](CO)C1 ZINC000361417611 388559527 /nfs/dbraw/zinc/55/95/27/388559527.db2.gz XZECJHJNFFSSDA-RKDXNWHRSA-N 0 3 223.263 0.971 20 0 BCADHN CO[C@H](C)CN1CCC(F)(F)[C@H](CO)C1 ZINC000361405684 388560516 /nfs/dbraw/zinc/56/05/16/388560516.db2.gz XYBYHAAGAMBIBV-BDAKNGLRSA-N 0 3 223.263 0.971 20 0 BCADHN CC(C)(O)CN1CCC(F)(F)[C@@H](CO)C1 ZINC000361404343 388560769 /nfs/dbraw/zinc/56/07/69/388560769.db2.gz RXPPABWWYOMPOE-MRVPVSSYSA-N 0 3 223.263 0.707 20 0 BCADHN CO[C@H](CNC(=O)C1(N)CCC1)C(C)C ZINC000362978190 388562808 /nfs/dbraw/zinc/56/28/08/388562808.db2.gz XZZRHHGQZXKGOY-SECBINFHSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@@H]1CCCN([C@@H](C)C(=O)N(C)C)C1 ZINC000246080554 388615791 /nfs/dbraw/zinc/61/57/91/388615791.db2.gz FMRZRTBSQXOGLN-VHSXEESVSA-N 0 3 214.309 0.574 20 0 BCADHN C[C@H](C(=O)NCCN1CCC1)N1CC(C)C1 ZINC000521269114 388566843 /nfs/dbraw/zinc/56/68/43/388566843.db2.gz QRCCVFVNSJUZMP-LLVKDONJSA-N 0 3 225.336 0.149 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528756582 388566926 /nfs/dbraw/zinc/56/69/26/388566926.db2.gz KJZFTQBZBXSIRM-ZNSHCXBVSA-N 0 3 249.376 0.823 20 0 BCADHN C[C@@H](CN[C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C)S(C)(=O)=O ZINC000528756560 388567555 /nfs/dbraw/zinc/56/75/55/388567555.db2.gz AWBQJAYRMSMWMN-LADJIXMOSA-N 0 3 249.376 0.821 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N[C@H]1CCN(C)C1=O ZINC000528760333 388568088 /nfs/dbraw/zinc/56/80/88/388568088.db2.gz XNQQKFRPSXORMI-NZHYYXIDSA-N 0 3 226.320 0.619 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@H](c2ccco2)C1 ZINC000370664690 388570430 /nfs/dbraw/zinc/57/04/30/388570430.db2.gz JJKFCFUJXRWADS-BDAKNGLRSA-N 0 3 208.261 0.943 20 0 BCADHN CCN(CCO)CCNC(=O)CC[C@@H](C)OC ZINC000183915119 388572095 /nfs/dbraw/zinc/57/20/95/388572095.db2.gz BFQMQJGZKCTUEQ-LLVKDONJSA-N 0 3 246.351 0.232 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H](C)C(C)C ZINC000183943577 388572410 /nfs/dbraw/zinc/57/24/10/388572410.db2.gz JTFMQNBZPGDFRT-NSHDSACASA-N 0 3 230.352 0.709 20 0 BCADHN CC(=O)CCN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528781302 388572854 /nfs/dbraw/zinc/57/28/54/388572854.db2.gz GSUVBDHHOOZRJW-JRPNMDOOSA-N 0 3 229.345 0.951 20 0 BCADHN C[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528788615 388573812 /nfs/dbraw/zinc/57/38/12/388573812.db2.gz NKFJHFGWVSTLBT-JIXVBMEVSA-N 0 3 217.334 0.353 20 0 BCADHN CC[C@@H](CO)N(C)CCn1ccccc1=O ZINC000379003786 388574486 /nfs/dbraw/zinc/57/44/86/388574486.db2.gz CGYCQWCJRQOYGN-NSHDSACASA-N 0 3 224.304 0.551 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cccnn2)CN1C1CC1 ZINC000528810203 388575164 /nfs/dbraw/zinc/57/51/64/388575164.db2.gz ROBJHBCURMIFRL-VHSXEESVSA-N 0 3 246.314 0.832 20 0 BCADHN CC(C)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184321897 388577369 /nfs/dbraw/zinc/57/73/69/388577369.db2.gz LUVKXSJVMFAWMX-LBPRGKRZSA-N 0 3 241.379 0.785 20 0 BCADHN CCN(CCO)CCNCc1c(C)noc1C ZINC000184538820 388579072 /nfs/dbraw/zinc/57/90/72/388579072.db2.gz VTDNRGVYKUHQKO-UHFFFAOYSA-N 0 3 241.335 0.695 20 0 BCADHN COCCNC(=O)N(C)CCN(C)C1CC1 ZINC000184726037 388581524 /nfs/dbraw/zinc/58/15/24/388581524.db2.gz LJCROTHWCDASJU-UHFFFAOYSA-N 0 3 229.324 0.368 20 0 BCADHN CCC[C@@](C)(N)C(=O)Nc1c[nH]ccc1=O ZINC000649301223 388583116 /nfs/dbraw/zinc/58/31/16/388583116.db2.gz MPIJREAPXLSKKQ-LLVKDONJSA-N 0 3 223.276 0.831 20 0 BCADHN CCCOCC(=O)NC[C@@H]1CCCN(C)C1 ZINC000224502257 388665043 /nfs/dbraw/zinc/66/50/43/388665043.db2.gz CKGMBJCCANQIMB-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN CCCN(C(=O)[C@H](C)O)[C@@H]1CCN(C)C1 ZINC000648997558 388686005 /nfs/dbraw/zinc/68/60/05/388686005.db2.gz SGENKQZOELUZBB-VHSXEESVSA-N 0 3 214.309 0.310 20 0 BCADHN COCCCNC(=O)[C@@H](C)N[C@@H](C)[C@@H](C)OC ZINC000191714207 388668122 /nfs/dbraw/zinc/66/81/22/388668122.db2.gz BOWLOQQUYUMJOW-HBNTYKKESA-N 0 3 246.351 0.541 20 0 BCADHN C[C@@H]1COCCN1CCN(C)CC1(CO)CC1 ZINC000192814674 388686090 /nfs/dbraw/zinc/68/60/90/388686090.db2.gz NOJNIIJSKUNIPK-GFCCVEGCSA-N 0 3 242.363 0.411 20 0 BCADHN CCO[C@H]1C[C@H](N(C)C(=O)[C@@H](C)N)C1(C)C ZINC000161554774 388671522 /nfs/dbraw/zinc/67/15/22/388671522.db2.gz SSDOATABEPDFPL-UTLUCORTSA-N 0 3 228.336 0.996 20 0 BCADHN CO[C@H](C)CN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000192813906 388686302 /nfs/dbraw/zinc/68/63/02/388686302.db2.gz ZEFAKIYBIULORB-IJLUTSLNSA-N 0 3 230.352 0.408 20 0 BCADHN CCC1CCN([C@H]2CC(=O)N(C)C2=O)CC1 ZINC000522056639 388676575 /nfs/dbraw/zinc/67/65/75/388676575.db2.gz BNMBVRDISJFOSR-JTQLQIEISA-N 0 3 224.304 0.866 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](CC)C1 ZINC000125828774 388677995 /nfs/dbraw/zinc/67/79/95/388677995.db2.gz MHJWKBCYLUQMFF-UWVGGRQHSA-N 0 3 241.335 0.953 20 0 BCADHN CN(C)CCNC(=O)COCC1CC1 ZINC000192460767 388678078 /nfs/dbraw/zinc/67/80/78/388678078.db2.gz BLEPBKFLCJDQJY-UHFFFAOYSA-N 0 3 200.282 0.091 20 0 BCADHN O[C@H](CN[C@H]1CCCC[C@@H]1O)C(F)(F)F ZINC000225440342 388679177 /nfs/dbraw/zinc/67/91/77/388679177.db2.gz YISJVFXOXOPWRY-BIIVOSGPSA-N 0 3 227.226 0.803 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N(C)[C@H](C)C1CC1 ZINC000255480403 388679176 /nfs/dbraw/zinc/67/91/76/388679176.db2.gz ISHHVDZIQACFHH-BDAKNGLRSA-N 0 3 241.335 0.951 20 0 BCADHN CO[C@@H]1C[C@H](NC(=O)C(C)(C)N)C1(C)C ZINC000225547170 388680525 /nfs/dbraw/zinc/68/05/25/388680525.db2.gz YWMVGHFQQHKDOR-JGVFFNPUSA-N 0 3 214.309 0.653 20 0 BCADHN CCN(C)CCNC(=O)N[C@H](C)C[S@@](C)=O ZINC000248450735 388681213 /nfs/dbraw/zinc/68/12/13/388681213.db2.gz JFMARSRZXDOYHY-JDNHERCYSA-N 0 3 249.380 0.004 20 0 BCADHN CC(C)NC(=O)CCN(C)[C@H](C)C[S@@](C)=O ZINC000248502937 388682321 /nfs/dbraw/zinc/68/23/21/388682321.db2.gz UOKPXCYIOAYWTQ-QLJPJBMISA-N 0 3 248.392 0.600 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@H](N)C(C)C)C1 ZINC000154285193 388618688 /nfs/dbraw/zinc/61/86/88/388618688.db2.gz KCPRFHIWNOQCIV-NXEZZACHSA-N 0 3 214.309 0.607 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CC(CCO)C2)C1 ZINC000521641340 388621442 /nfs/dbraw/zinc/62/14/42/388621442.db2.gz JECAMTXTTSSPEJ-JTQLQIEISA-N 0 3 226.320 0.169 20 0 BCADHN CN(C[C@H]1CCN(C)C1)C(=O)c1nncs1 ZINC000530183852 388623698 /nfs/dbraw/zinc/62/36/98/388623698.db2.gz GGFSTBBTONMDSS-QMMMGPOBSA-N 0 3 240.332 0.562 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2nncs2)CCN1C ZINC000530183809 388623780 /nfs/dbraw/zinc/62/37/80/388623780.db2.gz DCAQRWLIXWPPRS-YUMQZZPRSA-N 0 3 240.332 0.751 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N(C)[C@@H](C)CC ZINC000246282036 388627651 /nfs/dbraw/zinc/62/76/51/388627651.db2.gz AZEOMTGFMPXBKW-DTWKUNHWSA-N 0 3 229.324 0.951 20 0 BCADHN COC[C@H](C)N1CCC(NC(N)=O)CC1 ZINC000175753142 388627873 /nfs/dbraw/zinc/62/78/73/388627873.db2.gz RMIIYEXZIRWWRM-QMMMGPOBSA-N 0 3 215.297 0.154 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1)c1ccoc1 ZINC000530217841 388630930 /nfs/dbraw/zinc/63/09/30/388630930.db2.gz BFUNXEVFXNKSEJ-KOLCDFICSA-N 0 3 210.277 0.919 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1)c1cccnc1 ZINC000530218091 388631531 /nfs/dbraw/zinc/63/15/31/388631531.db2.gz BQDLJVXWYVMATA-PWSUYJOCSA-N 0 3 221.304 0.721 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1)c1cncs1 ZINC000530219131 388631995 /nfs/dbraw/zinc/63/19/95/388631995.db2.gz FRGURSWYGDYBDT-BDAKNGLRSA-N 0 3 227.333 0.782 20 0 BCADHN CC(=O)NCCN(C)C[C@H]1CCCCO1 ZINC000551531277 388632737 /nfs/dbraw/zinc/63/27/37/388632737.db2.gz UZKIDIVUAMPBCQ-LLVKDONJSA-N 0 3 214.309 0.623 20 0 BCADHN C[C@H](NC[C@H]1COCCN1)c1cncc(F)c1 ZINC000530223167 388633903 /nfs/dbraw/zinc/63/39/03/388633903.db2.gz OZBAMSCCRTXZFL-CABZTGNLSA-N 0 3 239.294 0.860 20 0 BCADHN C[C@H](NC[C@H]1COCCN1)c1ccncn1 ZINC000530223508 388634236 /nfs/dbraw/zinc/63/42/36/388634236.db2.gz KGDBWZSTAAVTGT-UWVGGRQHSA-N 0 3 222.292 0.116 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NC[C@@H]1COCCN1 ZINC000530226772 388635020 /nfs/dbraw/zinc/63/50/20/388635020.db2.gz YQTRRKKXHJJTRS-PSASIEDQSA-N 0 3 224.308 0.357 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1)c1ccnn1C ZINC000530225791 388635501 /nfs/dbraw/zinc/63/55/01/388635501.db2.gz NJJSMAGKGNVFRB-ZJUUUORDSA-N 0 3 224.308 0.059 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)N[C@H]1CCOC1 ZINC000246470865 388638353 /nfs/dbraw/zinc/63/83/53/388638353.db2.gz FEHLJCCCLHNRAH-WDEREUQCSA-N 0 3 241.335 0.559 20 0 BCADHN COC[C@H](N[C@@H]1CCN(C)C1=O)C(C)C ZINC000083399092 388639397 /nfs/dbraw/zinc/63/93/97/388639397.db2.gz LDHIKMCYNGEOKN-ZJUUUORDSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@H]1CN(CCN2CCC(C)(O)CC2)CCO1 ZINC000192758285 388684823 /nfs/dbraw/zinc/68/48/23/388684823.db2.gz DWZWENKJXBNHIZ-LBPRGKRZSA-N 0 3 242.363 0.554 20 0 BCADHN CCn1nnc(C)c1CN[C@@H](C)CN(C)C ZINC000521900865 388640449 /nfs/dbraw/zinc/64/04/49/388640449.db2.gz ZTFFKCOFLKRAIH-VIFPVBQESA-N 0 3 225.340 0.646 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000246580876 388644282 /nfs/dbraw/zinc/64/42/82/388644282.db2.gz IBQVBHJCRMRAIH-RBXMUDONSA-N 0 3 212.293 0.263 20 0 BCADHN O=S1(=O)CCCC[C@H]1CN[C@H]1CCCOC1 ZINC000328623556 388645414 /nfs/dbraw/zinc/64/54/14/388645414.db2.gz YZKBYQJVAIKBKD-QWRGUYRKSA-N 0 3 247.360 0.722 20 0 BCADHN COc1cccc(C(=O)NCCCC[NH3+])c1[O-] ZINC000037714441 388646055 /nfs/dbraw/zinc/64/60/55/388646055.db2.gz DRCCRSQIHGVEGX-UHFFFAOYSA-N 0 3 238.287 0.870 20 0 BCADHN O=S1(=O)CCCC[C@H]1CN[C@@H]1CCCOC1 ZINC000328623555 388646093 /nfs/dbraw/zinc/64/60/93/388646093.db2.gz YZKBYQJVAIKBKD-MNOVXSKESA-N 0 3 247.360 0.722 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](O)C2CCC2)C[C@H](C)N1 ZINC000620897053 388652826 /nfs/dbraw/zinc/65/28/26/388652826.db2.gz OUWCQUOACRCJJD-MVWJERBFSA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@H](C)OC[C@H]1C ZINC000084199986 388654333 /nfs/dbraw/zinc/65/43/33/388654333.db2.gz HIXLDNLIWAFXSU-HRDYMLBCSA-N 0 3 200.282 0.360 20 0 BCADHN O=C(c1cnc[nH]1)N1CCN(c2ncc[nH]2)CC1 ZINC000551998130 388655011 /nfs/dbraw/zinc/65/50/11/388655011.db2.gz QWDOOCYXRRYZBL-UHFFFAOYSA-N 0 3 246.274 0.095 20 0 BCADHN CCn1c(SCCN(C)C)n[nH]c1=O ZINC000192821352 388685740 /nfs/dbraw/zinc/68/57/40/388685740.db2.gz IWXUDAXPSJRBBC-UHFFFAOYSA-N 0 3 216.310 0.245 20 0 BCADHN CC[C@@H](C)NC(=O)CN(C)C[C@H]1CCOC1 ZINC000247124554 388659646 /nfs/dbraw/zinc/65/96/46/388659646.db2.gz RXARZYSBVNWVNB-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CCCNC(=O)[C@@H](C)N(C)C[C@H]1CCOC1 ZINC000247177677 388659925 /nfs/dbraw/zinc/65/99/25/388659925.db2.gz VRGCIYHVRSFKQI-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H]1CCN(C)CCN1Cc1ccn(C)n1 ZINC000552032695 388662415 /nfs/dbraw/zinc/66/24/15/388662415.db2.gz DNTBODPYBDJGFG-NSHDSACASA-N 0 3 222.336 0.946 20 0 BCADHN C[C@@H]1CC(O)C[C@@H](C)N1CC(=O)N(C)C1CC1 ZINC000191288109 388662397 /nfs/dbraw/zinc/66/23/97/388662397.db2.gz MSYZVXGOIONRMJ-NXEZZACHSA-N 0 3 240.347 0.841 20 0 BCADHN CCCN(C(=O)[C@@H](O)C(C)C)[C@H]1CCN(C)C1 ZINC000648996628 388685886 /nfs/dbraw/zinc/68/58/86/388685886.db2.gz WUZQSEQIUZLXGT-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN COCCO[C@H]1CCN(C[C@H](C)O)C1 ZINC000192813852 388685930 /nfs/dbraw/zinc/68/59/30/388685930.db2.gz JHEMBNPUYKOOCU-UWVGGRQHSA-N 0 3 203.282 0.105 20 0 BCADHN COCCN(C[C@@H](C)COC)[C@H](C)C(N)=O ZINC000249982284 388735539 /nfs/dbraw/zinc/73/55/39/388735539.db2.gz YVDYCVQGPIMZKC-NXEZZACHSA-N 0 3 232.324 0.091 20 0 BCADHN CCOCCNC(=O)CN(C)C(C)C ZINC000067592266 388737020 /nfs/dbraw/zinc/73/70/20/388737020.db2.gz JTKXNRNTFBHUFL-UHFFFAOYSA-N 0 3 202.298 0.479 20 0 BCADHN CCNC(=O)CN1CCC[C@H]1CSC ZINC000128124212 388739067 /nfs/dbraw/zinc/73/90/67/388739067.db2.gz ARZNUABCGYBIID-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN COCCOCCC(=O)NC[C@H]1CCCN1C ZINC000194687857 388739658 /nfs/dbraw/zinc/73/96/58/388739658.db2.gz XKBSZIRBYRHJKU-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN C[C@@H](C(=O)NC[C@H]1CCCN1C)n1cncn1 ZINC000194708778 388740801 /nfs/dbraw/zinc/74/08/01/388740801.db2.gz WXYMOYPBYHFBCK-VHSXEESVSA-N 0 3 237.307 0.050 20 0 BCADHN Cc1c(C(=O)NC[C@H]2CCCN2C)cnn1C ZINC000194715660 388740992 /nfs/dbraw/zinc/74/09/92/388740992.db2.gz RPWWOGIEHLYNGX-SNVBAGLBSA-N 0 3 236.319 0.553 20 0 BCADHN C[C@H](C(=O)NC1CC1)N(C)CCN1CCCC1 ZINC000089898907 388742334 /nfs/dbraw/zinc/74/23/34/388742334.db2.gz ZREYZZCMJJSXEA-LLVKDONJSA-N 0 3 239.363 0.681 20 0 BCADHN COCCNC(=O)NC[C@H]1CCCN1C ZINC000194798415 388743775 /nfs/dbraw/zinc/74/37/75/388743775.db2.gz RVKMTOVJPLIRTE-SECBINFHSA-N 0 3 215.297 0.026 20 0 BCADHN CCCN(C)CC(=O)NCCCCC(N)=O ZINC000539015476 388744557 /nfs/dbraw/zinc/74/45/57/388744557.db2.gz UTNMANZIEMQYKJ-UHFFFAOYSA-N 0 3 229.324 0.100 20 0 BCADHN CC[C@H]1CCCCN1C(=O)[C@H](CN)OC ZINC000227347941 388749025 /nfs/dbraw/zinc/74/90/25/388749025.db2.gz CAPWYQCXNBEXGQ-UWVGGRQHSA-N 0 3 214.309 0.751 20 0 BCADHN CO[C@H](CN)C(=O)NCCc1cccs1 ZINC000227344761 388749436 /nfs/dbraw/zinc/74/94/36/388749436.db2.gz OCUCEPSHDLOZOD-SECBINFHSA-N 0 3 228.317 0.381 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCCCC[C@@H]1C ZINC000227385264 388749894 /nfs/dbraw/zinc/74/98/94/388749894.db2.gz MWASPMYJNTWGPF-UWVGGRQHSA-N 0 3 214.309 0.751 20 0 BCADHN CO[C@@H](CN)C(=O)NCC1(C)CCC1 ZINC000227417631 388750027 /nfs/dbraw/zinc/75/00/27/388750027.db2.gz YERDDFWVLNGXAV-QMMMGPOBSA-N 0 3 200.282 0.267 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)CC1CCC1 ZINC000227381977 388750422 /nfs/dbraw/zinc/75/04/22/388750422.db2.gz PTTHAIANDDYRMA-VIFPVBQESA-N 0 3 200.282 0.219 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccncc1C ZINC000227383900 388750629 /nfs/dbraw/zinc/75/06/29/388750629.db2.gz FEHMHCODXAJADV-VIFPVBQESA-N 0 3 209.249 0.302 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1nc(C)c(C)s1 ZINC000227377727 388750668 /nfs/dbraw/zinc/75/06/68/388750668.db2.gz HMMFTJIAJDKBPZ-ZETCQYMHSA-N 0 3 229.305 0.672 20 0 BCADHN CO[C@@H](CN)C(=O)NCC1CCSCC1 ZINC000227405714 388751321 /nfs/dbraw/zinc/75/13/21/388751321.db2.gz IFSOIIDXHPXFTC-VIFPVBQESA-N 0 3 232.349 0.220 20 0 BCADHN COC(=O)C[C@@H]1CSCCN1C[C@@H](C)O ZINC000248651315 388687726 /nfs/dbraw/zinc/68/77/26/388687726.db2.gz MSGINHRWEBYLJJ-RKDXNWHRSA-N 0 3 233.333 0.348 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)OCC1CC1 ZINC000192903830 388689014 /nfs/dbraw/zinc/68/90/14/388689014.db2.gz GLQKPSOOCJITRR-LLVKDONJSA-N 0 3 230.308 0.435 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N[C@H](COC)C(C)C ZINC000086700249 388691152 /nfs/dbraw/zinc/69/11/52/388691152.db2.gz ZBXCKJSJKOSFBB-RKDXNWHRSA-N 0 3 245.323 0.091 20 0 BCADHN CN(C[C@@H](O)COC[C@@H]1CCCO1)C1CC1 ZINC000193055625 388691293 /nfs/dbraw/zinc/69/12/93/388691293.db2.gz TVQJQSIQMIQPSR-NEPJUHHUSA-N 0 3 229.320 0.637 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000552328333 388693960 /nfs/dbraw/zinc/69/39/60/388693960.db2.gz SFCXRMMLWAQHAN-JFGNBEQYSA-N 0 3 240.347 0.745 20 0 BCADHN CO[C@@H]1CN([C@H](C)C(=O)N(C)C)CC[C@@H]1C ZINC000251896775 388755789 /nfs/dbraw/zinc/75/57/89/388755789.db2.gz QQUXBCMGCCXYRO-HBNTYKKESA-N 0 3 228.336 0.820 20 0 BCADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCOCCO ZINC000248842587 388695145 /nfs/dbraw/zinc/69/51/45/388695145.db2.gz QJAUKMSBNFNWMO-JGPRNRPPSA-N 0 3 217.309 0.229 20 0 BCADHN Cn1cccc1C(=O)NC[C@@H]1CCCN1C ZINC000126401312 388695554 /nfs/dbraw/zinc/69/55/54/388695554.db2.gz RFYUDVUXFBJGPJ-JTQLQIEISA-N 0 3 221.304 0.849 20 0 BCADHN CC[C@@H]1CCCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000248899587 388698340 /nfs/dbraw/zinc/69/83/40/388698340.db2.gz PVABGYMEBBKFTD-RKDXNWHRSA-N 0 3 227.308 0.692 20 0 BCADHN CC[C@H]1CCCN([C@H](C)C(=O)NC(=O)NC)C1 ZINC000248905778 388698674 /nfs/dbraw/zinc/69/86/74/388698674.db2.gz YXNIKBJBIFADCG-ZJUUUORDSA-N 0 3 241.335 0.953 20 0 BCADHN CCCN(C(=O)CNC(C)=O)[C@H]1CCN(C)C1 ZINC000649004648 388698726 /nfs/dbraw/zinc/69/87/26/388698726.db2.gz DGDQZEFVIRZMNE-NSHDSACASA-N 0 3 241.335 0.065 20 0 BCADHN CC(=O)NCCCN(C)[C@@H](C)C[S@@](C)=O ZINC000126687991 388699819 /nfs/dbraw/zinc/69/98/19/388699819.db2.gz AYUBVQHCPRJXSU-VFZGTOFNSA-N 0 3 234.365 0.211 20 0 BCADHN CCOC[C@@H]1CCN([C@H]2CCCN(C)C2=O)C1 ZINC000538709370 388708088 /nfs/dbraw/zinc/70/80/88/388708088.db2.gz XBONOPSNKQTIIW-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCC1(O)CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000538708929 388708448 /nfs/dbraw/zinc/70/84/48/388708448.db2.gz KUHZLBVOZZPUQF-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN CCC[C@@H](C)N1CCO[C@@H](C(=O)NC)C1 ZINC000249265364 388714850 /nfs/dbraw/zinc/71/48/50/388714850.db2.gz IOTSDKLFVMLICE-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CCOCCN(C)CCN1CCO[C@@H](C)C1 ZINC000249300460 388717255 /nfs/dbraw/zinc/71/72/55/388717255.db2.gz RYKDFERYTCISJP-LBPRGKRZSA-N 0 3 230.352 0.675 20 0 BCADHN Cc1nc(CCNC(=O)C2(N)CC2)cs1 ZINC000226388008 388717367 /nfs/dbraw/zinc/71/73/67/388717367.db2.gz YTSSQUNJVYIIRN-UHFFFAOYSA-N 0 3 225.317 0.602 20 0 BCADHN COCCCNC(=O)[C@H](C)N(C)CCCOC ZINC000066378898 388717411 /nfs/dbraw/zinc/71/74/11/388717411.db2.gz AMJCAMFOIKPFTP-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CC[C@](C)(NC[C@H](O)COCC(C)C)C(N)=O ZINC000127182612 388717766 /nfs/dbraw/zinc/71/77/66/388717766.db2.gz FABIHUWZPHEMOE-JQWIXIFHSA-N 0 3 246.351 0.264 20 0 BCADHN CCC[C@H]1CN(C[C@H](C)O)CCN1CCOC ZINC000249369392 388718148 /nfs/dbraw/zinc/71/81/48/388718148.db2.gz AQGZLOXRUXXAAX-STQMWFEESA-N 0 3 244.379 0.800 20 0 BCADHN C[C@@H]1CN(CCN2CCOC[C@H]2C)CC[C@@H]1O ZINC000249362303 388718582 /nfs/dbraw/zinc/71/85/82/388718582.db2.gz AHTHTTVYYMZCJI-UPJWGTAASA-N 0 3 242.363 0.410 20 0 BCADHN CCC[C@@H](C)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000249390440 388718999 /nfs/dbraw/zinc/71/89/99/388718999.db2.gz RGTZGSGBGDVNMO-OPRDCNLKSA-N 0 3 214.309 0.750 20 0 BCADHN CC[C@@H](O)CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249395075 388719658 /nfs/dbraw/zinc/71/96/58/388719658.db2.gz ROXZWXWQBGBWRI-NWDGAFQWSA-N 0 3 244.379 0.534 20 0 BCADHN C[C@@H](O)CN(CCOCC(F)F)[C@H](C)CO ZINC000249494026 388724524 /nfs/dbraw/zinc/72/45/24/388724524.db2.gz VTYVBCPBWYXHGC-RKDXNWHRSA-N 0 3 241.278 0.332 20 0 BCADHN COC[C@@H](CNCc1ccnn1C)OC ZINC000227704929 388756916 /nfs/dbraw/zinc/75/69/16/388756916.db2.gz YIBVOFZXZBQMKM-SNVBAGLBSA-N 0 3 213.281 0.171 20 0 BCADHN C[C@@H]1CCN(CC2CCOCC2)[C@@H](C(N)=O)C1 ZINC000249575649 388729016 /nfs/dbraw/zinc/72/90/16/388729016.db2.gz PKZICVBLBSXZMG-ZYHUDNBSSA-N 0 3 240.347 0.999 20 0 BCADHN CN1CCC[C@H]1CNC(=O)C1CCC(O)CC1 ZINC000194306620 388729110 /nfs/dbraw/zinc/72/91/10/388729110.db2.gz XTLLXYPLABOELA-CXQJBGSLSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)N(C)CC(=O)N1CCN(C2CC2)CC1 ZINC000127709547 388729884 /nfs/dbraw/zinc/72/98/84/388729884.db2.gz MJOMLFMQBVIUSC-UHFFFAOYSA-N 0 3 239.363 0.633 20 0 BCADHN CCN(CC)CC(=O)N(CCO)CC(F)F ZINC000194380118 388731068 /nfs/dbraw/zinc/73/10/68/388731068.db2.gz NIOVRNLGTBCKHY-UHFFFAOYSA-N 0 3 238.278 0.414 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC[C@](C)(O)C1 ZINC000249608631 388731370 /nfs/dbraw/zinc/73/13/70/388731370.db2.gz RTKUEQRDEUONIW-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN Cc1noc([C@@H](C)N(C)C(=O)CNC2CC2)n1 ZINC000572541536 388801389 /nfs/dbraw/zinc/80/13/89/388801389.db2.gz CDYHZTJNRRNIGZ-SSDOTTSWSA-N 0 3 238.291 0.649 20 0 BCADHN CNCC(=O)N[C@@H]1COc2cc(F)ccc2C1 ZINC000564229851 388802296 /nfs/dbraw/zinc/80/22/96/388802296.db2.gz MLXYPQVPOBYRQA-JTQLQIEISA-N 0 3 238.262 0.465 20 0 BCADHN CC[C@@H](O)C[NH2+]Cc1nc(C)ccc1[O-] ZINC000229965838 388806894 /nfs/dbraw/zinc/80/68/94/388806894.db2.gz AFLQWHMZXIBAGN-SECBINFHSA-N 0 3 210.277 0.956 20 0 BCADHN CCCN(CCNS(=O)(=O)CC)C1CC1 ZINC000068826212 388807501 /nfs/dbraw/zinc/80/75/01/388807501.db2.gz YJCPQASXOFVEQP-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN C[C@@H]1[C@H](C(=O)Nc2nncs2)CCN1C ZINC000648739881 388769210 /nfs/dbraw/zinc/76/92/10/388769210.db2.gz BEILZTIZNPCFGG-RNFRBKRXSA-N 0 3 226.305 0.817 20 0 BCADHN COCCNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000252651756 388770219 /nfs/dbraw/zinc/77/02/19/388770219.db2.gz IRWXNPCESLHRQS-WDEREUQCSA-N 0 3 243.351 0.614 20 0 BCADHN C[C@H](O)CCN(C)[C@H]1CCCN(C)C1=O ZINC000539808574 388775847 /nfs/dbraw/zinc/77/58/47/388775847.db2.gz CZXHORWCKSGOOY-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCc1cc[nH]n1 ZINC000522893157 388777411 /nfs/dbraw/zinc/77/74/11/388777411.db2.gz RTXVXZRWLGRPSX-NSHDSACASA-N 0 3 236.319 0.900 20 0 BCADHN C[C@H](C[S@@](C)=O)NC[C@@H](O)C(F)(F)F ZINC000228988283 388778413 /nfs/dbraw/zinc/77/84/13/388778413.db2.gz MXKDOKXJENLWDW-HNPCCYBCSA-N 0 3 233.255 0.266 20 0 BCADHN CO[C@@H]1CCCN([C@H]2CCCN(C)C2=O)C1 ZINC000539813115 388779350 /nfs/dbraw/zinc/77/93/50/388779350.db2.gz SOZUNIDCCGDSSM-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN CO[C@@H]1CCCN([C@@H]2CCCN(C)C2=O)C1 ZINC000539813114 388780337 /nfs/dbraw/zinc/78/03/37/388780337.db2.gz SOZUNIDCCGDSSM-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN CN(C[C@@H]1CNC(=O)O1)[C@@H]1CCCC[C@H]1O ZINC000252919626 388791201 /nfs/dbraw/zinc/79/12/01/388791201.db2.gz DRCJNFBYASBNLP-IVZWLZJFSA-N 0 3 228.292 0.330 20 0 BCADHN CN1CCC[C@H]1CNC(=O)C[C@H]1CCCO1 ZINC000253356607 388815062 /nfs/dbraw/zinc/81/50/62/388815062.db2.gz VOYRTQSGEPIYIQ-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN CN1CCC[C@@H](N2CC[C@](C)(O)C2)C1=O ZINC000554433947 388815541 /nfs/dbraw/zinc/81/55/41/388815541.db2.gz UWQCQBCRTDHOBI-KOLCDFICSA-N 0 3 212.293 0.064 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC[C@H]([C@@H](C)O)C1 ZINC000554499117 388816598 /nfs/dbraw/zinc/81/65/98/388816598.db2.gz XZWWUFXAYFJQSO-JFGNBEQYSA-N 0 3 245.319 0.003 20 0 BCADHN C[C@H](CO)CCCNCc1ccnn1C ZINC000230158481 388817111 /nfs/dbraw/zinc/81/71/11/388817111.db2.gz OSHRIZKBPLADLN-JTQLQIEISA-N 0 3 211.309 0.918 20 0 BCADHN CC1CCC(CN2CCO[C@H](C(N)=O)C2)CC1 ZINC000092735900 388817210 /nfs/dbraw/zinc/81/72/10/388817210.db2.gz IFVJWCKLBFEALS-MCIGGMRASA-N 0 3 240.347 0.999 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC[C@H]([C@H](C)O)C1 ZINC000554499116 388817649 /nfs/dbraw/zinc/81/76/49/388817649.db2.gz XZWWUFXAYFJQSO-JBLDHEPKSA-N 0 3 245.319 0.003 20 0 BCADHN CC[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC000554545980 388820836 /nfs/dbraw/zinc/82/08/36/388820836.db2.gz GYBCKVVGUBIJAN-GMTAPVOTSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@H](NCc1cn(C)nn1)C1CCOCC1 ZINC000230223655 388820942 /nfs/dbraw/zinc/82/09/42/388820942.db2.gz IFUAZNOJPXJKEW-SECBINFHSA-N 0 3 224.308 0.720 20 0 BCADHN CC[C@H](C(N)=O)N1CCC([C@H](C)O)CC1 ZINC000225780773 388844378 /nfs/dbraw/zinc/84/43/78/388844378.db2.gz YYVCHQZZPLQNCU-WCBMZHEXSA-N 0 3 214.309 0.343 20 0 BCADHN C[C@@H](NC(=O)[C@H]1CCN(C)C1)c1ncon1 ZINC000540890835 388822882 /nfs/dbraw/zinc/82/28/82/388822882.db2.gz ATZCLUWFVXUFHY-SFYZADRCSA-N 0 3 224.264 0.199 20 0 BCADHN COC(C)(C)CN(C)[C@@H]1CCCN(C)C1=O ZINC000540908526 388826469 /nfs/dbraw/zinc/82/64/69/388826469.db2.gz BOLDIJGREFKWRA-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN CCNS(=O)(=O)[C@H]1CCN(C2CCCC2)C1 ZINC000093257145 388831605 /nfs/dbraw/zinc/83/16/05/388831605.db2.gz XKZUMLIANXPBKT-NSHDSACASA-N 0 3 246.376 0.943 20 0 BCADHN CN(CCN1CCCC1=O)Cc1ncccc1O ZINC000554856556 388832577 /nfs/dbraw/zinc/83/25/77/388832577.db2.gz XLCUPFQWWMNNKS-UHFFFAOYSA-N 0 3 249.314 0.841 20 0 BCADHN COC[C@H](CO)NCc1ccc2[nH]cnc2c1 ZINC000554982150 388837241 /nfs/dbraw/zinc/83/72/41/388837241.db2.gz NISYFTWBGHXFKR-JTQLQIEISA-N 0 3 235.287 0.660 20 0 BCADHN COC[C@H](CO)NCc1ccc2nc[nH]c2c1 ZINC000554982150 388837244 /nfs/dbraw/zinc/83/72/44/388837244.db2.gz NISYFTWBGHXFKR-JTQLQIEISA-N 0 3 235.287 0.660 20 0 BCADHN COC1(C(=O)N(C)CCN2CCCC2)CC1 ZINC000648768130 388852675 /nfs/dbraw/zinc/85/26/75/388852675.db2.gz QZUUMQXETALLMT-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2cccc(=O)[nH]2)C1 ZINC000555853163 388861670 /nfs/dbraw/zinc/86/16/70/388861670.db2.gz DSGAUIIHMGIEFI-SNVBAGLBSA-N 0 3 249.314 0.859 20 0 BCADHN COC1(C(=O)NC[C@@H]2CCCN(C)C2)CC1 ZINC000648776874 388863906 /nfs/dbraw/zinc/86/39/06/388863906.db2.gz XFFQISOHKOGYJZ-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN COCC[C@H](C)N1CCN2CCOC[C@H]2C1 ZINC000541699826 388864105 /nfs/dbraw/zinc/86/41/05/388864105.db2.gz DOCOTGUQKRRSPG-NWDGAFQWSA-N 0 3 228.336 0.428 20 0 BCADHN COC1(C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000648766345 388848537 /nfs/dbraw/zinc/84/85/37/388848537.db2.gz QDOWQNDNHUXMRK-VIFPVBQESA-N 0 3 226.320 0.764 20 0 BCADHN CC(C)[C@H](C(=O)N1CN(C)C(=O)[C@@H]1C)N(C)C ZINC000649159459 388882714 /nfs/dbraw/zinc/88/27/14/388882714.db2.gz OKLXWGGAAJFSPS-VHSXEESVSA-N 0 3 241.335 0.219 20 0 BCADHN COC(=O)CCCCNC(=O)[C@@H](C)NC1CC1 ZINC000564653183 388884055 /nfs/dbraw/zinc/88/40/55/388884055.db2.gz QKXHUCXZMJDLSD-SECBINFHSA-N 0 3 242.319 0.586 20 0 BCADHN CO[C@H](CN)C(=O)N(C)[C@@H](C)c1cccnc1 ZINC000564837523 388892619 /nfs/dbraw/zinc/89/26/19/388892619.db2.gz HHCMKKKRFYDFOP-GXSJLCMTSA-N 0 3 237.303 0.575 20 0 BCADHN O=C(COC1CCCC1)NC[C@@H]1CNCCO1 ZINC000564841431 388893486 /nfs/dbraw/zinc/89/34/86/388893486.db2.gz JHSSOPGQYQQCEY-NSHDSACASA-N 0 3 242.319 0.050 20 0 BCADHN CCOCC[C@@H](O)CNCc1c[nH]nc1C ZINC000564845618 388894616 /nfs/dbraw/zinc/89/46/16/388894616.db2.gz UZCJKXHHACOAAE-LLVKDONJSA-N 0 3 227.308 0.595 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@H](O)C(F)(F)F ZINC000564880883 388895323 /nfs/dbraw/zinc/89/53/23/388895323.db2.gz GWOWXLNSNCOAKK-IUCAKERBSA-N 0 3 240.269 0.936 20 0 BCADHN CC[C@@H]1C[C@H]1NC[C@@H](C)S(C)(=O)=O ZINC000564864343 388896123 /nfs/dbraw/zinc/89/61/23/388896123.db2.gz NLOLZLLMDFZCQP-IWSPIJDZSA-N 0 3 205.323 0.808 20 0 BCADHN OCC(CO)NCc1cnc2ccccc2c1 ZINC000305093706 388896344 /nfs/dbraw/zinc/89/63/44/388896344.db2.gz SXOHQAQVMUTXGR-UHFFFAOYSA-N 0 3 232.283 0.678 20 0 BCADHN CCc1ccc([C@H](CO)NCCC(N)=O)cc1 ZINC000564974397 388903478 /nfs/dbraw/zinc/90/34/78/388903478.db2.gz AQGIHAIEWWAZQT-LBPRGKRZSA-N 0 3 236.315 0.747 20 0 BCADHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(C)(=O)=O ZINC000152704875 388877070 /nfs/dbraw/zinc/87/70/70/388877070.db2.gz JMBBMHMNLYWYSL-OUAUKWLOSA-N 0 3 248.392 0.902 20 0 BCADHN CO[C@@H](C)[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC000129959739 388877139 /nfs/dbraw/zinc/87/71/39/388877139.db2.gz NPFZINGCCHRFHW-HRDYMLBCSA-N 0 3 200.282 0.230 20 0 BCADHN NCC(=O)N1CC[C@@H](OCc2ccccn2)C1 ZINC000564993467 388906095 /nfs/dbraw/zinc/90/60/95/388906095.db2.gz YGYSBBUIHUURCC-LLVKDONJSA-N 0 3 235.287 0.158 20 0 BCADHN NCC(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000564993676 388906461 /nfs/dbraw/zinc/90/64/61/388906461.db2.gz MYWXKTCPILZAAT-UWVGGRQHSA-N 0 3 214.309 0.393 20 0 BCADHN CC(C)n1cc([C@@H](C)NC(=O)[C@H](C)N)cn1 ZINC000564990155 388907031 /nfs/dbraw/zinc/90/70/31/388907031.db2.gz DFVMCULCJBDGTJ-DTWKUNHWSA-N 0 3 224.308 0.988 20 0 BCADHN CN(CC(F)(F)F)C(=O)C(N)C(F)(F)F ZINC000565038243 388909922 /nfs/dbraw/zinc/90/99/22/388909922.db2.gz AGZMLFWQKRZHIJ-GSVOUGTGSA-N 0 3 238.131 0.897 20 0 BCADHN Cn1cncc1CCCN1CCNC(=O)CC1 ZINC000565159786 388919472 /nfs/dbraw/zinc/91/94/72/388919472.db2.gz AQJFFAVBOKVDIB-UHFFFAOYSA-N 0 3 236.319 0.175 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCC2=CCCOC2)C1 ZINC000565194982 388924972 /nfs/dbraw/zinc/92/49/72/388924972.db2.gz BSWZRIKWXRLHGH-LLVKDONJSA-N 0 3 238.331 0.791 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CC(CF)C2)C1 ZINC000565208248 388925227 /nfs/dbraw/zinc/92/52/27/388925227.db2.gz LRMNOLQWCXHWMI-VIFPVBQESA-N 0 3 214.284 0.756 20 0 BCADHN CC(=O)N1CC(N[C@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000565218241 388927465 /nfs/dbraw/zinc/92/74/65/388927465.db2.gz MGFZXPSYKKQBID-RNCFNFMXSA-N 0 3 237.347 0.289 20 0 BCADHN Cc1nscc1C(=O)NC[C@@H]1CNCCO1 ZINC000565300685 388935741 /nfs/dbraw/zinc/93/57/41/388935741.db2.gz ZSDYYSCKOXBNPI-QMMMGPOBSA-N 0 3 241.316 0.170 20 0 BCADHN C[C@H](NCCC(N)=O)C(=O)N1CCCC[C@H]1C ZINC000565417135 388943068 /nfs/dbraw/zinc/94/30/68/388943068.db2.gz OASHOJWMKALUSF-ZJUUUORDSA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@@H](N)C(=O)N(C)[C@H](C)c1nc(C)no1 ZINC000565491008 388948958 /nfs/dbraw/zinc/94/89/58/388948958.db2.gz JTRIDYNVEJLOCZ-HTRCEHHLSA-N 0 3 226.280 0.635 20 0 BCADHN OC[C@H](CC(F)F)NC[C@H](O)C(F)(F)F ZINC000565481509 388949038 /nfs/dbraw/zinc/94/90/38/388949038.db2.gz WZQNIBQYSKIQLD-WHFBIAKZSA-N 0 3 237.168 0.515 20 0 BCADHN OC[C@@H]1CCN(CCCCCF)C[C@H]1O ZINC000565502528 388949570 /nfs/dbraw/zinc/94/95/70/388949570.db2.gz DGLZUODFZBHSLN-WDEREUQCSA-N 0 3 219.300 0.801 20 0 BCADHN C[C@@H](N)C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000565543009 388952007 /nfs/dbraw/zinc/95/20/07/388952007.db2.gz GOVRUNHMOACFKL-SCZZXKLOSA-N 0 3 247.298 0.576 20 0 BCADHN Cc1nc(C(C)(C)NC(=O)CNC(C)C)no1 ZINC000565845042 388973876 /nfs/dbraw/zinc/97/38/76/388973876.db2.gz JBPGQYJCLDHYOG-UHFFFAOYSA-N 0 3 240.307 0.727 20 0 BCADHN Cc1nc([C@@H]2CCCCCN2C(=O)CN)no1 ZINC000565892360 388976777 /nfs/dbraw/zinc/97/67/77/388976777.db2.gz DADGOELOSJPDCB-VIFPVBQESA-N 0 3 238.291 0.780 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)NCCN(C)C2CC2)CO1 ZINC000565888926 388976952 /nfs/dbraw/zinc/97/69/52/388976952.db2.gz DREIETKNTMVIOH-VHSXEESVSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@H](CN[C@@H]1CCO[C@H]1C1CC1)S(C)(=O)=O ZINC000566111248 388988301 /nfs/dbraw/zinc/98/83/01/388988301.db2.gz CEIQJVAGXSYPMG-IEBDPFPHSA-N 0 3 247.360 0.577 20 0 BCADHN CCc1ccnc(CNC[C@@H](O)COC)c1 ZINC000566124127 388989533 /nfs/dbraw/zinc/98/95/33/388989533.db2.gz CUPKKDRTWBQHRG-GFCCVEGCSA-N 0 3 224.304 0.741 20 0 BCADHN C[C@@H](Cn1cccn1)NCC(=O)N1CCC1 ZINC000264398448 388991979 /nfs/dbraw/zinc/99/19/79/388991979.db2.gz UYYMOKPXXQQCGV-JTQLQIEISA-N 0 3 222.292 0.094 20 0 BCADHN CN(CCC(N)=O)Cc1cccc(O)c1 ZINC000267121824 388997725 /nfs/dbraw/zinc/99/77/25/388997725.db2.gz ABPVMOQADSUXJW-UHFFFAOYSA-N 0 3 208.261 0.699 20 0 BCADHN C[C@H](CC(N)=O)NC[C@@](C)(O)c1cccs1 ZINC000267248332 388999784 /nfs/dbraw/zinc/99/97/84/388999784.db2.gz NRGOZSCPCRTQGV-LDYMZIIASA-N 0 3 242.344 0.809 20 0 BCADHN C[C@H](CC(N)=O)NC[C@](C)(O)c1ccsc1 ZINC000267296886 388999986 /nfs/dbraw/zinc/99/99/86/388999986.db2.gz ZKHXQHHYCCJFRF-KCJUWKMLSA-N 0 3 242.344 0.809 20 0 BCADHN CCC[C@H](N)C(=O)N(C)Cc1ccon1 ZINC000269061893 389006991 /nfs/dbraw/zinc/00/69/91/389006991.db2.gz KRRZEVAZVSVBPF-VIFPVBQESA-N 0 3 211.265 0.760 20 0 BCADHN C[C@H](CC(N)=O)NCCNc1ccccn1 ZINC000269058041 389007382 /nfs/dbraw/zinc/00/73/82/389007382.db2.gz STMCMEVSLPGLEZ-SECBINFHSA-N 0 3 222.292 0.347 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@@H]1CCCCN1 ZINC000269276533 389008239 /nfs/dbraw/zinc/00/82/39/389008239.db2.gz XQZLFCZYXUQXAK-VIFPVBQESA-N 0 3 222.292 0.476 20 0 BCADHN COCc1ccc(CNC[C@]2(O)CCOC2)o1 ZINC000269944018 389011633 /nfs/dbraw/zinc/01/16/33/389011633.db2.gz GAGKZJQTSFLXAD-GFCCVEGCSA-N 0 3 241.287 0.667 20 0 BCADHN C[C@@H](NCCC1OCCO1)c1cn[nH]c1 ZINC000275146921 389053431 /nfs/dbraw/zinc/05/34/31/389053431.db2.gz FVALAFKYLXFAKV-MRVPVSSYSA-N 0 3 211.265 0.823 20 0 BCADHN Cc1c([C@@H]2OCC[C@@H]2NC[C@H](C)O)cnn1C ZINC000337205754 177632485 /nfs/dbraw/zinc/63/24/85/177632485.db2.gz LEMQQTQHPVRRRG-UWJYBYFXSA-N 0 3 239.319 0.529 20 0 BCADHN CSCCCN[C@@H](CO)c1cnn(C)c1 ZINC000274105444 389043954 /nfs/dbraw/zinc/04/39/54/389043954.db2.gz SYHVMICJDGNSEF-JTQLQIEISA-N 0 3 229.349 0.796 20 0 BCADHN C[C@@H](NCCN1CCCC1=O)c1cn[nH]c1 ZINC000273975795 389044378 /nfs/dbraw/zinc/04/43/78/389044378.db2.gz HEYRCZREVSLJHX-SECBINFHSA-N 0 3 222.292 0.683 20 0 BCADHN C[C@@H](C(N)=O)N1CCNC[C@@](C)(F)C1 ZINC000335394252 136091819 /nfs/dbraw/zinc/09/18/19/136091819.db2.gz FXZAHEPMHSQNIB-IONNQARKSA-N 0 3 203.261 0.544 20 0 BCADHN CO[C@H]1CCCN(C[C@H]2CN(C)C(=O)O2)C1 ZINC000496583606 533233018 /nfs/dbraw/zinc/23/30/18/533233018.db2.gz MYNZNEZHEDSNHJ-VHSXEESVSA-N 0 3 228.292 0.548 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1[C@H](C)C1(F)F ZINC000359292264 169697734 /nfs/dbraw/zinc/69/77/34/169697734.db2.gz FPSOWZWCKHOVLR-JGVFFNPUSA-N 0 3 220.263 0.956 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N(C)C[C@H]1CCOC1 ZINC000494937415 533242908 /nfs/dbraw/zinc/24/29/08/533242908.db2.gz MNWBKAVBUQEMQK-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN C([C@@H]1CCCCO1)N1CCN2CCOC[C@@H]2C1 ZINC000348762911 533375656 /nfs/dbraw/zinc/37/56/56/533375656.db2.gz BNTPVTLUQOSSLG-STQMWFEESA-N 0 3 240.347 0.572 20 0 BCADHN COC(=O)[C@H]1CCN(C[C@H](O)CSC)C1 ZINC000488359623 533431906 /nfs/dbraw/zinc/43/19/06/533431906.db2.gz TVEBTXHHNLVBMD-IUCAKERBSA-N 0 3 233.333 0.205 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)/C=C\CN(C)C)C1 ZINC000493623514 533511048 /nfs/dbraw/zinc/51/10/48/533511048.db2.gz GWTLNNIYLUXKFO-QOYVELHUSA-N 0 3 240.303 0.172 20 0 BCADHN C[C@@H](O)CCN(C)C[C@H]1CN(C)C(=O)O1 ZINC000496646649 533612185 /nfs/dbraw/zinc/61/21/85/533612185.db2.gz PJBLOJMMNZBKHK-BDAKNGLRSA-N 0 3 216.281 0.140 20 0 BCADHN Cc1ccccc1[C@@H](C)NCC(=O)NC(N)=O ZINC000042210013 322836759 /nfs/dbraw/zinc/83/67/59/322836759.db2.gz XVOYXEBINDUOAT-SECBINFHSA-N 0 3 235.287 0.841 20 0 BCADHN C[C@H](N)C(=O)N1C[C@H](C(N)=O)Cc2ccccc21 ZINC000269057343 132194026 /nfs/dbraw/zinc/19/40/26/132194026.db2.gz RNPBFCUHZHWPNM-WCBMZHEXSA-N 0 3 247.298 0.024 20 0 BCADHN COc1ccnc(N2CCN[C@@H](C)C2)n1 ZINC000052783465 132228820 /nfs/dbraw/zinc/22/88/20/132228820.db2.gz KCWXKNZVLMQSSJ-QMMMGPOBSA-N 0 3 208.265 0.283 20 0 BCADHN CCOCC(=O)N1C[C@H](N)Cc2ccccc21 ZINC000070195445 132230428 /nfs/dbraw/zinc/23/04/28/132230428.db2.gz JOEHLUYDHOAIAM-LLVKDONJSA-N 0 3 234.299 0.940 20 0 BCADHN COc1ccnc(N2CCNC[C@H]2C)n1 ZINC000054375227 132233649 /nfs/dbraw/zinc/23/36/49/132233649.db2.gz WVNOVPQYVMARKJ-MRVPVSSYSA-N 0 3 208.265 0.283 20 0 BCADHN C[C@@H]1CNCCN1c1ncnc2nc[nH]c21 ZINC000054374853 132233922 /nfs/dbraw/zinc/23/39/22/132233922.db2.gz GAWSZYORAQBWMS-SSDOTTSWSA-N 0 3 218.264 0.151 20 0 BCADHN Cc1cnc(N2CCNC(C)(C)C2)nc1 ZINC000133200251 132238098 /nfs/dbraw/zinc/23/80/98/132238098.db2.gz VCJFBGGIGNXPTA-UHFFFAOYSA-N 0 3 206.293 0.973 20 0 BCADHN c1cnnc(N2CCN(C3CCOCC3)CC2)c1 ZINC000352988063 132267073 /nfs/dbraw/zinc/26/70/73/132267073.db2.gz MOTUYTNONKOTIW-UHFFFAOYSA-N 0 3 248.330 0.778 20 0 BCADHN COc1cnccc1N1CCN(CCO)CC1 ZINC000361529612 132280237 /nfs/dbraw/zinc/28/02/37/132280237.db2.gz FTHMMLWATMWROH-UHFFFAOYSA-N 0 3 237.303 0.205 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CCCN(c2ccccn2)C1 ZINC000378526376 132290190 /nfs/dbraw/zinc/29/01/90/132290190.db2.gz NBAOTLSRJIPGPC-QWRGUYRKSA-N 0 3 248.330 0.514 20 0 BCADHN Nc1nc(Cl)cc(N2CCNCC2)n1 ZINC000003716153 132315776 /nfs/dbraw/zinc/31/57/76/132315776.db2.gz RZFRWUAZPSLTQY-UHFFFAOYSA-N 0 3 213.672 0.122 20 0 BCADHN C[C@H](CNC(=O)Cc1ccoc1)N(C)C ZINC000345336595 133758120 /nfs/dbraw/zinc/75/81/20/133758120.db2.gz PXAVVXKFSSRHQS-SECBINFHSA-N 0 3 210.277 0.888 20 0 BCADHN O=C(C1=CCOCC1)N1CCN2CCC[C@@H]2C1 ZINC000335759068 133893542 /nfs/dbraw/zinc/89/35/42/133893542.db2.gz VECJDGOBXPSCAF-GFCCVEGCSA-N 0 3 236.315 0.640 20 0 BCADHN CNS(=O)(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000351920580 134006615 /nfs/dbraw/zinc/00/66/15/134006615.db2.gz DCBSBKHCGWNAOH-SNVBAGLBSA-N 0 3 247.364 0.011 20 0 BCADHN Cc1noc(CCCN2C[C@@H](C)[C@H](O)C2)n1 ZINC000351920712 134006691 /nfs/dbraw/zinc/00/66/91/134006691.db2.gz FKYMSRBLRPCRDE-PSASIEDQSA-N 0 3 225.292 0.623 20 0 BCADHN CCCCN(C)CCNS(=O)(=O)N1CCC1 ZINC000351925971 134007621 /nfs/dbraw/zinc/00/76/21/134007621.db2.gz HLVHRFZMVMUHQB-UHFFFAOYSA-N 0 3 249.380 0.258 20 0 BCADHN COC(=O)CCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000351926184 134007882 /nfs/dbraw/zinc/00/78/82/134007882.db2.gz IRARSVBCCWFJHT-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN C[C@@H]1CN(Cc2ncnn2C)[C@H](C)CN1C ZINC000351927513 134008504 /nfs/dbraw/zinc/00/85/04/134008504.db2.gz OLUWHZCTRZITLO-NXEZZACHSA-N 0 3 223.324 0.340 20 0 BCADHN CN(C(=O)c1cn(C)cn1)[C@@H]1CCN(C2CC2)C1 ZINC000335931629 134010851 /nfs/dbraw/zinc/01/08/51/134010851.db2.gz OLHUHPBNPQWETI-LLVKDONJSA-N 0 3 248.330 0.729 20 0 BCADHN CC(C)NC(=O)CCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000351933186 134014395 /nfs/dbraw/zinc/01/43/95/134014395.db2.gz ALVDRCSQBQPDDV-NEPJUHHUSA-N 0 3 241.379 0.926 20 0 BCADHN COC(=O)CCCN1C[C@@H](C)N(C)C[C@H]1C ZINC000351944924 134015529 /nfs/dbraw/zinc/01/55/29/134015529.db2.gz NRGUOEJCKNQZME-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C)CC1 ZINC000335947225 134020755 /nfs/dbraw/zinc/02/07/55/134020755.db2.gz WEXVKNSHRQNUKQ-CMPLNLGQSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1CN(CCOCCO)[C@@H](C)CN1C ZINC000351942509 134025267 /nfs/dbraw/zinc/02/52/67/134025267.db2.gz AVBBGRMQBPFNGM-MNOVXSKESA-N 0 3 216.325 0.020 20 0 BCADHN COC(=O)[C@@H](C1CC1)N(C)CCN(C)C1CC1 ZINC000351975682 134025470 /nfs/dbraw/zinc/02/54/70/134025470.db2.gz PYSVXONKFOJXNK-GFCCVEGCSA-N 0 3 240.347 0.964 20 0 BCADHN CN(CC[C@@H]1CCCO1)CCn1cncn1 ZINC000351978955 134025603 /nfs/dbraw/zinc/02/56/03/134025603.db2.gz DVODGVYXMQGTOJ-NSHDSACASA-N 0 3 224.308 0.779 20 0 BCADHN CCN(CCC1CC1)CCS(=O)(=O)N(C)C ZINC000351986832 134025873 /nfs/dbraw/zinc/02/58/73/134025873.db2.gz NALJVWZDYYNZIT-UHFFFAOYSA-N 0 3 248.392 1.000 20 0 BCADHN Cc1ncsc1CN1[C@H](CO)CC[C@H]1CO ZINC000351982636 134026046 /nfs/dbraw/zinc/02/60/46/134026046.db2.gz OHRBOYPXZJNPBZ-UWVGGRQHSA-N 0 3 242.344 0.769 20 0 BCADHN O=C1NCC[C@@H]1N1CCC[C@H](C2CC2)C1 ZINC000335993429 134041374 /nfs/dbraw/zinc/04/13/74/134041374.db2.gz DFTLNOUVRGSIMC-QWRGUYRKSA-N 0 3 208.305 0.997 20 0 BCADHN NC(=O)NC(=O)CN1CCC[C@@H](C2CC2)C1 ZINC000335993749 134041561 /nfs/dbraw/zinc/04/15/61/134041561.db2.gz VJGJMUYNPKKLPH-SECBINFHSA-N 0 3 225.292 0.303 20 0 BCADHN CN(C(=O)[C@]1(C)CCOC1)[C@H]1CCCN(C)C1 ZINC000335997595 134042864 /nfs/dbraw/zinc/04/28/64/134042864.db2.gz LZUVPYIKCGOFHF-WCQYABFASA-N 0 3 240.347 0.966 20 0 BCADHN CSC1(CN2C[C@@H]3OCCN(C)[C@H]3C2)CC1 ZINC000335998738 134043781 /nfs/dbraw/zinc/04/37/81/134043781.db2.gz PLLHWBCXZDQLOZ-QWRGUYRKSA-N 0 3 242.388 0.897 20 0 BCADHN CCCCOCCN1C[C@@H](O)C[C@@H]1CO ZINC000352033048 134044815 /nfs/dbraw/zinc/04/48/15/134044815.db2.gz QDGKWDFNFKFCIP-MNOVXSKESA-N 0 3 217.309 0.231 20 0 BCADHN O=C(C[C@@H]1CCOC1)NCCN1CCCC1 ZINC000352029595 134044953 /nfs/dbraw/zinc/04/49/53/134044953.db2.gz VUPGHNCVPIDFRL-NSHDSACASA-N 0 3 226.320 0.625 20 0 BCADHN CCN1C[C@H](C)N(CC(=O)N(C)C)[C@@H](C)C1 ZINC000336002313 134047575 /nfs/dbraw/zinc/04/75/75/134047575.db2.gz ORQXEWDHICSKCY-QWRGUYRKSA-N 0 3 227.352 0.489 20 0 BCADHN C[C@H]1CN(CC(=O)NC2CCOCC2)C[C@H]1C ZINC000336041169 134061894 /nfs/dbraw/zinc/06/18/94/134061894.db2.gz ZQFYOYVDXZZHMN-PHIMTYICSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H]1CN(CC(=O)NC2CCOCC2)C[C@@H]1C ZINC000336041170 134062119 /nfs/dbraw/zinc/06/21/19/134062119.db2.gz ZQFYOYVDXZZHMN-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)CS(=O)(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000336042242 134062318 /nfs/dbraw/zinc/06/23/18/134062318.db2.gz PUTKTPOGOGSHEN-GHMZBOCLSA-N 0 3 248.392 0.854 20 0 BCADHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccoc1 ZINC000352106058 134068129 /nfs/dbraw/zinc/06/81/29/134068129.db2.gz LYCBWDMMWDEOPO-GFCCVEGCSA-N 0 3 240.303 0.712 20 0 BCADHN COCCCC(=O)NC[C@@](C)(O)CCN(C)C ZINC000352119646 134074666 /nfs/dbraw/zinc/07/46/66/134074666.db2.gz FWJWXAIYHXNHGA-LBPRGKRZSA-N 0 3 246.351 0.232 20 0 BCADHN CC[C@H](C(=O)N1CCN(C)CC[C@H]1C)N(C)C ZINC000336084042 134075900 /nfs/dbraw/zinc/07/59/00/134075900.db2.gz VFEFSSXGSFJOIP-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)o1 ZINC000336101191 134083399 /nfs/dbraw/zinc/08/33/99/134083399.db2.gz VSMSIRPOGWEQMF-MBTKJCJQSA-N 0 3 242.300 0.084 20 0 BCADHN O=C1NC[C@@H]2CN(CC3CCC3)CCN12 ZINC000336129188 134093640 /nfs/dbraw/zinc/09/36/40/134093640.db2.gz RJBWUSINPVBDTK-SNVBAGLBSA-N 0 3 209.293 0.496 20 0 BCADHN CCN(C[C@@H](C)O)[C@H](C)C(=O)NC1CC1 ZINC000352202420 134101415 /nfs/dbraw/zinc/10/14/15/134101415.db2.gz JWKNUQMRILPYCE-RKDXNWHRSA-N 0 3 214.309 0.356 20 0 BCADHN CCCNC(=O)[C@H](C)N(CC)C[C@@H](C)O ZINC000352204883 134104802 /nfs/dbraw/zinc/10/48/02/134104802.db2.gz YZIHREBPRLMLME-ZJUUUORDSA-N 0 3 216.325 0.604 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)Cc1ccon1 ZINC000336156084 134106013 /nfs/dbraw/zinc/10/60/13/134106013.db2.gz ZEODQLKTHMBQCC-DTWKUNHWSA-N 0 3 223.276 0.426 20 0 BCADHN CCN(C[C@H](C)O)[C@@H](C)C(=O)NCC(C)C ZINC000352209277 134107331 /nfs/dbraw/zinc/10/73/31/134107331.db2.gz ASGKHMSYDNXJQI-QWRGUYRKSA-N 0 3 230.352 0.850 20 0 BCADHN CCN(CCN1CCOC[C@@H]1C)C[C@@H](C)O ZINC000352222248 134109594 /nfs/dbraw/zinc/10/95/94/134109594.db2.gz QALQKRXDTBGYGJ-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN FCCCN1CCN2CCOC[C@H]2C1 ZINC000336180412 134119335 /nfs/dbraw/zinc/11/93/35/134119335.db2.gz HPOHXYYYGMMSGK-SNVBAGLBSA-N 0 3 202.273 0.362 20 0 BCADHN Cc1cccc(CCN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000336212162 134135031 /nfs/dbraw/zinc/13/50/31/134135031.db2.gz DGGCWYZCFDACRY-BETUJISGSA-N 0 3 221.300 0.575 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CCC2)C[C@@H](C)N1 ZINC000336214412 134136176 /nfs/dbraw/zinc/13/61/76/134136176.db2.gz NUVPZMLHWLSMDV-RKDXNWHRSA-N 0 3 211.309 0.077 20 0 BCADHN Cc1cnn([C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000168364632 134197665 /nfs/dbraw/zinc/19/76/65/134197665.db2.gz IQLPHVDANCYSAF-SNVBAGLBSA-N 0 3 222.292 0.314 20 0 BCADHN CC(C)[C@@H]1CN([C@H]2COC[C@H]2O)CCN1C ZINC000361396381 134205159 /nfs/dbraw/zinc/20/51/59/134205159.db2.gz TXRBDBSNVIGENN-SDDRHHMPSA-N 0 3 228.336 0.018 20 0 BCADHN O=C1CC[C@@H]2CN(CC3(O)CCCC3)CCN12 ZINC000168519593 134225462 /nfs/dbraw/zinc/22/54/62/134225462.db2.gz FHCUJAOLUUHHRB-LLVKDONJSA-N 0 3 238.331 0.598 20 0 BCADHN COCCCCN1CCC[C@]2(CNC(=O)O2)C1 ZINC000375556116 134239850 /nfs/dbraw/zinc/23/98/50/134239850.db2.gz DPWNBBTWSOVAAL-LBPRGKRZSA-N 0 3 242.319 0.987 20 0 BCADHN C[C@@H](N)C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000169809166 134251812 /nfs/dbraw/zinc/25/18/12/134251812.db2.gz FECISGQEKDKAGU-PWSUYJOCSA-N 0 3 233.315 0.507 20 0 BCADHN CC[C@](C)(OC)C(=O)NCCN(C)C ZINC000170229766 134251991 /nfs/dbraw/zinc/25/19/91/134251991.db2.gz IDBGVEJWUZCSOX-JTQLQIEISA-N 0 3 202.298 0.479 20 0 BCADHN COCCCCN1CCC[C@H]1C(N)=O ZINC000172178914 134262646 /nfs/dbraw/zinc/26/26/46/134262646.db2.gz UEVPMZPZXGQRPF-VIFPVBQESA-N 0 3 200.282 0.363 20 0 BCADHN CC[C@H](C)CN(C)CC(=O)NC(=O)NC ZINC000171949509 134263121 /nfs/dbraw/zinc/26/31/21/134263121.db2.gz YVNARWMNLFPZSN-QMMMGPOBSA-N 0 3 215.297 0.420 20 0 BCADHN CO[C@H](C)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000172233388 134264799 /nfs/dbraw/zinc/26/47/99/134264799.db2.gz MEEWGNIQADVNQN-MNOVXSKESA-N 0 3 228.336 0.822 20 0 BCADHN Cc1cc(F)ccc1S(=O)(=O)NC1CNC1 ZINC000085256363 134265135 /nfs/dbraw/zinc/26/51/35/134265135.db2.gz QANHCKFTKZFIJJ-UHFFFAOYSA-N 0 3 244.291 0.384 20 0 BCADHN OCCO[C@H]1CCCN(C[C@@H]2CCCO2)C1 ZINC000172302663 134265467 /nfs/dbraw/zinc/26/54/67/134265467.db2.gz QNBKNXJQNRRZMK-RYUDHWBXSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)C1CC1 ZINC000173248795 134273124 /nfs/dbraw/zinc/27/31/24/134273124.db2.gz HAHNQUKKTHRMSR-ONGXEEELSA-N 0 3 246.376 0.751 20 0 BCADHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)N(C)C)CCN1C ZINC000173276426 134273341 /nfs/dbraw/zinc/27/33/41/134273341.db2.gz AZELBXDDJCCPQI-ZJUUUORDSA-N 0 3 249.380 0.207 20 0 BCADHN CC(=O)NCCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000173644213 134275825 /nfs/dbraw/zinc/27/58/25/134275825.db2.gz OJNHENRQSJCHLC-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN NC(=O)NC1CCN(CCOCC2CC2)CC1 ZINC000174921393 134284063 /nfs/dbraw/zinc/28/40/63/134284063.db2.gz XDOOBDMGQRUALA-UHFFFAOYSA-N 0 3 241.335 0.546 20 0 BCADHN CNC(=O)CC1CCN([C@H](C)COC)CC1 ZINC000175030335 134284421 /nfs/dbraw/zinc/28/44/21/134284421.db2.gz PNBSFXCQLHHHIU-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN O=C1NC[C@H]2CN(CC3CCCC3)CCN12 ZINC000175889772 134288249 /nfs/dbraw/zinc/28/82/49/134288249.db2.gz JCSZTJAEGNLEBT-NSHDSACASA-N 0 3 223.320 0.886 20 0 BCADHN CCOC[C@H]1CCN(CC(=O)NC(C)C)C1 ZINC000176330561 134290686 /nfs/dbraw/zinc/29/06/86/134290686.db2.gz PBYJVZDFUDCMIQ-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CCOC[C@H]1CCN(CC(=O)N2CCCC2)C1 ZINC000177036855 134294128 /nfs/dbraw/zinc/29/41/28/134294128.db2.gz JUZUOPIOYQVPSL-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN COC(=O)CCN1CC[C@@](C)(C(=O)OC)C1 ZINC000177475863 134298552 /nfs/dbraw/zinc/29/85/52/134298552.db2.gz WORCEWLYINNHAX-LLVKDONJSA-N 0 3 229.276 0.435 20 0 BCADHN CC[C@@H]1CN(CCO)[C@H](CC)CN1CCO ZINC000177796221 134299953 /nfs/dbraw/zinc/29/99/53/134299953.db2.gz VQTIJDKGRGDXGR-VXGBXAGGSA-N 0 3 230.352 0.146 20 0 BCADHN CN1CCCN(C(=O)CC[C@H]2CCOC2)CC1 ZINC000177608907 134300785 /nfs/dbraw/zinc/30/07/85/134300785.db2.gz FCMPIQPAZXBFIN-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN COC(=O)c1ccc(CCNC(=O)CN)cc1 ZINC000177956789 134302216 /nfs/dbraw/zinc/30/22/16/134302216.db2.gz CQPMJGCHPAVYMQ-UHFFFAOYSA-N 0 3 236.271 0.091 20 0 BCADHN CCS(=O)(=O)NCCN1CC[C@H](C)[C@@H]1C ZINC000177885477 134304031 /nfs/dbraw/zinc/30/40/31/134304031.db2.gz GBOUAUAQFJWJLE-UWVGGRQHSA-N 0 3 234.365 0.656 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCNC2=O)[C@@H]1C ZINC000177871639 134304118 /nfs/dbraw/zinc/30/41/18/134304118.db2.gz YQMFNKTXPASMPJ-RKDXNWHRSA-N 0 3 225.292 0.269 20 0 BCADHN C[C@@H]1CCN(CC(=O)NC(=O)NC2CC2)[C@@H]1C ZINC000177877983 134304282 /nfs/dbraw/zinc/30/42/82/134304282.db2.gz SDRIYSJFJHUZII-RKDXNWHRSA-N 0 3 239.319 0.705 20 0 BCADHN CCN(C)C(=O)CCN1CCC[C@@H]1C(=O)NC ZINC000178192917 134304757 /nfs/dbraw/zinc/30/47/57/134304757.db2.gz OYEDIHOLONFFKN-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@H]1CSCCN1C(=O)[C@]1(F)CCNC1 ZINC000178561825 134308313 /nfs/dbraw/zinc/30/83/13/134308313.db2.gz AGQRGNXIXNTFTM-WPRPVWTQSA-N 0 3 232.324 0.652 20 0 BCADHN O=C(N1CCCCC1)[C@]1(F)CCNC1 ZINC000178651244 134312377 /nfs/dbraw/zinc/31/23/77/134312377.db2.gz DJGQJGSIGDPDJF-JTQLQIEISA-N 0 3 200.257 0.701 20 0 BCADHN COC(=O)C[C@H]1CCCN1CCOCCO ZINC000179125050 134317577 /nfs/dbraw/zinc/31/75/77/134317577.db2.gz IIURPDZGIVUFSN-SNVBAGLBSA-N 0 3 231.292 0.023 20 0 BCADHN CC(=O)c1cc(C(=O)N(C)[C@@H](C)CN)n(C)c1 ZINC000179189548 134318059 /nfs/dbraw/zinc/31/80/59/134318059.db2.gz ZHFHOWQPPBZPEU-QMMMGPOBSA-N 0 3 237.303 0.647 20 0 BCADHN Cn1nc2c(cc1=O)CN(C1CCC1)CC2 ZINC000179585397 134322140 /nfs/dbraw/zinc/32/21/40/134322140.db2.gz AVXSISIKMUKACG-UHFFFAOYSA-N 0 3 219.288 0.691 20 0 BCADHN OCCO[C@H]1CCCN(CC2=CCCOC2)C1 ZINC000179579251 134322296 /nfs/dbraw/zinc/32/22/96/134322296.db2.gz LRLDYUSNHXKDRL-ZDUSSCGKSA-N 0 3 241.331 0.806 20 0 BCADHN Cn1nncc1CNCC(C)(C)CCCO ZINC000221391804 134323733 /nfs/dbraw/zinc/32/37/33/134323733.db2.gz QQIZJHHGZLJYGM-UHFFFAOYSA-N 0 3 226.324 0.703 20 0 BCADHN CCC[C@@H](C)CN1CCO[C@H](C(N)=O)C1 ZINC000179940785 134325505 /nfs/dbraw/zinc/32/55/05/134325505.db2.gz ZRDKBXYQBNCWBX-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)c1cccs1 ZINC000222019121 134329373 /nfs/dbraw/zinc/32/93/73/134329373.db2.gz CKEJSRYPLVULAX-QMMMGPOBSA-N 0 3 226.301 0.466 20 0 BCADHN C[C@@H](CN1CCOCC1)N1CCCO[C@@H](C)C1 ZINC000180607161 134330352 /nfs/dbraw/zinc/33/03/52/134330352.db2.gz AGPAHUJIWBFCCG-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@H](CN1CCOCC1)N1CCCO[C@H](C)C1 ZINC000180607144 134330559 /nfs/dbraw/zinc/33/05/59/134330559.db2.gz AGPAHUJIWBFCCG-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN Cc1cc[nH]c(=O)c1C(=O)N1CC[C@H](N(C)C)C1 ZINC000181034314 134333064 /nfs/dbraw/zinc/33/30/64/134333064.db2.gz FPZHWCXNTHNDIK-JTQLQIEISA-N 0 3 249.314 0.872 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000181352339 134335675 /nfs/dbraw/zinc/33/56/75/134335675.db2.gz CSQJCNBGHJATLG-PHIMTYICSA-N 0 3 228.336 0.962 20 0 BCADHN CO[C@H](C)CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000182170149 134342271 /nfs/dbraw/zinc/34/22/71/134342271.db2.gz DNDFLZZWSPCEON-MWLCHTKSSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCC(C)(C)CCO ZINC000223809509 134343031 /nfs/dbraw/zinc/34/30/31/134343031.db2.gz FYYRVDVZAOIELG-SECBINFHSA-N 0 3 237.365 0.418 20 0 BCADHN CCCCCN(CCCCO)CC(N)=O ZINC000183060298 134350841 /nfs/dbraw/zinc/35/08/41/134350841.db2.gz KHASMLOHXCHEPY-UHFFFAOYSA-N 0 3 216.325 0.736 20 0 BCADHN CC[C@@H](COC)N[C@@H](C(=O)NC)C(C)C ZINC000183211449 134352885 /nfs/dbraw/zinc/35/28/85/134352885.db2.gz WMHFNMWMGNJQDR-VHSXEESVSA-N 0 3 216.325 0.772 20 0 BCADHN COc1cccc(CNCCC[S@@](C)=O)n1 ZINC000183864369 134357112 /nfs/dbraw/zinc/35/71/12/134357112.db2.gz CLMSAPQBTJESPE-MRXNPFEDSA-N 0 3 242.344 0.948 20 0 BCADHN OC[C@@H]1CCN(CCO[C@@H]2CCCCO2)C1 ZINC000225974361 134357913 /nfs/dbraw/zinc/35/79/13/134357913.db2.gz CMOWDSXSBHCKDN-VXGBXAGGSA-N 0 3 229.320 0.844 20 0 BCADHN CC(C)(C)C[C@H](O)CNC(=O)C1(N)CCC1 ZINC000226116502 134359563 /nfs/dbraw/zinc/35/95/63/134359563.db2.gz WBRLVMWFGNNXDG-VIFPVBQESA-N 0 3 228.336 0.781 20 0 BCADHN CSCC[C@H](N)C(=O)N1CCN(C)C[C@H]1C ZINC000226401537 134365211 /nfs/dbraw/zinc/36/52/11/134365211.db2.gz KAZHJVCJWIASFX-ZJUUUORDSA-N 0 3 245.392 0.229 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000226831589 134369700 /nfs/dbraw/zinc/36/97/00/134369700.db2.gz GIIVLQQOIGBZLR-OUAUKWLOSA-N 0 3 248.392 0.492 20 0 BCADHN CCCNC(=O)[C@H](C)N(C)CCCCCO ZINC000227115872 134372836 /nfs/dbraw/zinc/37/28/36/134372836.db2.gz GEJGUMYFPOOINW-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN Cn1nccc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000185399064 134377598 /nfs/dbraw/zinc/37/75/98/134377598.db2.gz GHXYMISGZMHPJD-JTQLQIEISA-N 0 3 249.318 0.732 20 0 BCADHN Cc1n[nH]cc1CNCCCOCCO ZINC000227334314 134377888 /nfs/dbraw/zinc/37/78/88/134377888.db2.gz RAZINBRYOKENPY-UHFFFAOYSA-N 0 3 213.281 0.207 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000227332211 134378190 /nfs/dbraw/zinc/37/81/90/134378190.db2.gz SVTITQVPJVGIBX-WDEREUQCSA-N 0 3 234.299 0.498 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)[C@H](CN)OC ZINC000227348178 134378339 /nfs/dbraw/zinc/37/83/39/134378339.db2.gz OUMMGMNIMVMOOT-BDAKNGLRSA-N 0 3 202.298 0.465 20 0 BCADHN CC[C@H](C)C[C@H](C)NC(=O)[C@@H](CN)OC ZINC000227388048 134379357 /nfs/dbraw/zinc/37/93/57/134379357.db2.gz QOSTUKMCPAQLBT-LPEHRKFASA-N 0 3 216.325 0.901 20 0 BCADHN CCSCC[C@H](C)NC(=O)[C@@H](CN)OC ZINC000227408559 134380850 /nfs/dbraw/zinc/38/08/50/134380850.db2.gz FDILKYVLKJAAJB-DTWKUNHWSA-N 0 3 234.365 0.608 20 0 BCADHN CNC(=O)[C@H]1CCCCN1CCC(=O)N(C)C ZINC000408078988 134388185 /nfs/dbraw/zinc/38/81/85/134388185.db2.gz FHUQWKLJQGZTRJ-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CNC(=O)CC(=O)N[C@@H](C)CN1CCCCC1 ZINC000185698722 134388839 /nfs/dbraw/zinc/38/88/39/134388839.db2.gz MSPIHZGFACSHLP-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN COCC1=CCN(CCCNC(C)=O)CC1 ZINC000185834289 134391619 /nfs/dbraw/zinc/39/16/19/134391619.db2.gz HRCXHXSOLPCAHB-UHFFFAOYSA-N 0 3 226.320 0.791 20 0 BCADHN CC[C@H](N[C@@H]1C[C@@H](OC)C1(C)C)C(N)=O ZINC000227790792 134394487 /nfs/dbraw/zinc/39/44/87/134394487.db2.gz CBVAVCGIHQZTND-DJLDLDEBSA-N 0 3 214.309 0.653 20 0 BCADHN O=C(NC[C@H]1CNCCO1)C1CC=CC1 ZINC000227785272 134395000 /nfs/dbraw/zinc/39/50/00/134395000.db2.gz UGCIOYNSEWRHIQ-SNVBAGLBSA-N 0 3 210.277 0.057 20 0 BCADHN CO[C@@H](C)CN1CCCC[C@@]1(C)C(N)=O ZINC000185930080 134396937 /nfs/dbraw/zinc/39/69/37/134396937.db2.gz UPKORXIEHSZWJN-ONGXEEELSA-N 0 3 214.309 0.751 20 0 BCADHN C[C@]1(C(N)=O)CCCCN1CCCCO ZINC000185958916 134397253 /nfs/dbraw/zinc/39/72/53/134397253.db2.gz NUVMQBDQRNNRFU-LLVKDONJSA-N 0 3 214.309 0.489 20 0 BCADHN COc1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000187668944 134471597 /nfs/dbraw/zinc/47/15/97/134471597.db2.gz TYAJPVJEVOGZEO-RYUDHWBXSA-N 0 3 237.299 0.623 20 0 BCADHN CC[C@@H](CCO)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188582643 134529655 /nfs/dbraw/zinc/52/96/55/134529655.db2.gz NRRMWYQAUCAIOC-LPEHRKFASA-N 0 3 232.299 0.211 20 0 BCADHN O=C(NC[C@H]1CCC[C@@H](O)C1)[C@H]1C[C@H](F)CN1 ZINC000188916987 134537940 /nfs/dbraw/zinc/53/79/40/134537940.db2.gz VUZYIDQMJXZRAB-UKKRHICBSA-N 0 3 244.310 0.354 20 0 BCADHN CCCCCN(CCO)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188981038 134539165 /nfs/dbraw/zinc/53/91/65/134539165.db2.gz JFRRMAWDZAYCCU-WDEREUQCSA-N 0 3 246.326 0.698 20 0 BCADHN CC[C@@H](N)C(=O)NCCCn1cccn1 ZINC000130077121 134616380 /nfs/dbraw/zinc/61/63/80/134616380.db2.gz CMVQXCMULYMKFT-SECBINFHSA-N 0 3 210.281 0.127 20 0 BCADHN CNC(=O)c1cccc(CN(C)[C@H](C)CO)c1 ZINC000131988784 134638128 /nfs/dbraw/zinc/63/81/28/134638128.db2.gz SLRKTFUPYLVLFA-SNVBAGLBSA-N 0 3 236.315 0.859 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)CCn1cccn1 ZINC000155738484 134696838 /nfs/dbraw/zinc/69/68/38/134696838.db2.gz UESJRKQULAMYRF-MNOVXSKESA-N 0 3 238.335 0.715 20 0 BCADHN CN(C)C(=O)CN1CCc2ccccc2[C@H]1CN ZINC000069311780 134899618 /nfs/dbraw/zinc/89/96/18/134899618.db2.gz HIEXWXVFBYRLTA-CYBMUJFWSA-N 0 3 247.342 0.633 20 0 BCADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cnn(C)c1 ZINC000247239611 134975179 /nfs/dbraw/zinc/97/51/79/134975179.db2.gz MZQAZLLPBKEWHA-PWSUYJOCSA-N 0 3 248.330 0.729 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1CCc1cccnc1 ZINC000248387840 135002031 /nfs/dbraw/zinc/00/20/31/135002031.db2.gz BYRXIUDRTUZRAI-NWDGAFQWSA-N 0 3 222.288 0.052 20 0 BCADHN CO[C@H](C)CN1CCC[C@H]1C(=O)N(C)C ZINC000248405579 135006926 /nfs/dbraw/zinc/00/69/26/135006926.db2.gz ASJUIMFTZNLNMQ-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN CC[C@@H](COC)N[C@@H]1CCCS(=O)(=O)C1 ZINC000070656834 135007975 /nfs/dbraw/zinc/00/79/75/135007975.db2.gz BIECLSIPGOOXFV-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN COCCCn1nccc1CNCCOC ZINC000070708940 135008329 /nfs/dbraw/zinc/00/83/29/135008329.db2.gz YBWWYIXPTXOTKT-UHFFFAOYSA-N 0 3 227.308 0.656 20 0 BCADHN CCS(=O)(=O)NCCN1CCC[C@H]1C ZINC000076115832 135011237 /nfs/dbraw/zinc/01/12/37/135011237.db2.gz PCXIZDXLSOJNBJ-SECBINFHSA-N 0 3 220.338 0.410 20 0 BCADHN C[C@@H]1CCCN1CCN1C(=O)NC(C)(C)C1=O ZINC000076116071 135011394 /nfs/dbraw/zinc/01/13/94/135011394.db2.gz HSGUIJWZWQJAEO-SECBINFHSA-N 0 3 239.319 0.801 20 0 BCADHN C[C@@H]1CC[C@H](C)N(CCNS(C)(=O)=O)C1 ZINC000076149229 135013335 /nfs/dbraw/zinc/01/33/35/135013335.db2.gz YKKCJDBJFVBAOR-ZJUUUORDSA-N 0 3 234.365 0.656 20 0 BCADHN C[C@H]1CC[C@H](C)N(CC(=O)NC(N)=O)C1 ZINC000076149639 135013771 /nfs/dbraw/zinc/01/37/71/135013771.db2.gz RZTVXMWGKZOBAW-YUMQZZPRSA-N 0 3 213.281 0.302 20 0 BCADHN C[C@H](N[C@@H]1CCCOC1)C(=O)N1CCCC1 ZINC000071013436 135016511 /nfs/dbraw/zinc/01/65/11/135016511.db2.gz FXEPIJLGBGVRJO-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](O)CN1CCC[C@H]1C(=O)NC1CC1 ZINC000248659599 135018288 /nfs/dbraw/zinc/01/82/88/135018288.db2.gz VKIOFXLSBBSBJW-SCZZXKLOSA-N 0 3 212.293 0.110 20 0 BCADHN CSCC[C@@H](N)C(=O)NCC1CCOCC1 ZINC000163617919 135021111 /nfs/dbraw/zinc/02/11/11/135021111.db2.gz QOHGBARBFGICJJ-SNVBAGLBSA-N 0 3 246.376 0.610 20 0 BCADHN C[C@H]1COCCN1CCN(C)C[C@H]1CCCO1 ZINC000249057749 135030790 /nfs/dbraw/zinc/03/07/90/135030790.db2.gz PEZAKKWMEIQUPV-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H]1CN(CCN2CCCO[C@H](C)C2)CCO1 ZINC000249301551 135042907 /nfs/dbraw/zinc/04/29/07/135042907.db2.gz SBYYJXMYAFOGOP-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN CC(C)(C)OC(=O)CCN1C[C@H](O)C[C@H]1CO ZINC000249296812 135043176 /nfs/dbraw/zinc/04/31/76/135043176.db2.gz MUUPGHBSABKHRG-VHSXEESVSA-N 0 3 245.319 0.146 20 0 BCADHN CCCCN(CCN)[C@@H]1CCS(=O)(=O)C1 ZINC000076617295 135045494 /nfs/dbraw/zinc/04/54/94/135045494.db2.gz RIQNMICDRYNINC-SNVBAGLBSA-N 0 3 234.365 0.234 20 0 BCADHN O=C1CCCN1CCN(CCO)C1CC1 ZINC000076992868 135057158 /nfs/dbraw/zinc/05/71/58/135057158.db2.gz ZSBRHQDQCOFTSC-UHFFFAOYSA-N 0 3 212.293 0.066 20 0 BCADHN COC(=O)CCNC(=O)CN1CCCC1(C)C ZINC000077382455 135062794 /nfs/dbraw/zinc/06/27/94/135062794.db2.gz XSFZPJBIAWLFHR-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H](O)C(C)(C)C ZINC000236755197 135067776 /nfs/dbraw/zinc/06/77/76/135067776.db2.gz IRKQANUKYGLHHX-BDAKNGLRSA-N 0 3 216.325 0.493 20 0 BCADHN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CN ZINC000237243762 135070712 /nfs/dbraw/zinc/07/07/12/135070712.db2.gz NDAJVBJRJQYMCP-UHFFFAOYSA-N 0 3 244.298 0.789 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1CC[C@@H](O)[C@H](C)C1 ZINC000251676561 135073806 /nfs/dbraw/zinc/07/38/06/135073806.db2.gz MPIWGELRCXQOFK-GRYCIOLGSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CCCCNC1=O ZINC000252392053 135087496 /nfs/dbraw/zinc/08/74/96/135087496.db2.gz SRUXSSHRBQXYTJ-LPEHRKFASA-N 0 3 241.335 0.145 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000252429771 135089130 /nfs/dbraw/zinc/08/91/30/135089130.db2.gz DBBJGEUQUUHWJV-JBLDHEPKSA-N 0 3 239.363 0.713 20 0 BCADHN C[C@@H]1CCC[C@H](NC(=O)C(=O)NCCN)[C@H]1C ZINC000252436594 135089222 /nfs/dbraw/zinc/08/92/22/135089222.db2.gz QALBCHXIRJESMO-UTLUCORTSA-N 0 3 241.335 0.002 20 0 BCADHN CCOC(=O)[C@@H](C)N(C)C[C@H]1CCCN1C ZINC000252584283 135092033 /nfs/dbraw/zinc/09/20/33/135092033.db2.gz ZVLGAKWOEIZREZ-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN c1cnc(NC[C@H]2CN3CCC[C@H]3CO2)cn1 ZINC000252564048 135092633 /nfs/dbraw/zinc/09/26/33/135092633.db2.gz XRRGWIPODBTAJN-QWRGUYRKSA-N 0 3 234.303 0.752 20 0 BCADHN c1cnc(NC[C@@H]2CN3CCC[C@H]3CO2)cn1 ZINC000252564050 135092691 /nfs/dbraw/zinc/09/26/91/135092691.db2.gz XRRGWIPODBTAJN-WDEREUQCSA-N 0 3 234.303 0.752 20 0 BCADHN CNC(=O)CN[C@@H]1CC(C)(C)OC1(C)C ZINC000086927108 135101269 /nfs/dbraw/zinc/10/12/69/135101269.db2.gz AROUUYJPIGXFRQ-MRVPVSSYSA-N 0 3 214.309 0.668 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000252715718 135101736 /nfs/dbraw/zinc/10/17/36/135101736.db2.gz WMYYIMAPDXATAP-BBBLOLIVSA-N 0 3 212.293 0.137 20 0 BCADHN C[C@H](C[C@H]1CCCO1)N[C@H](C)CS(C)(=O)=O ZINC000252730103 135103581 /nfs/dbraw/zinc/10/35/81/135103581.db2.gz JVVRABKOUYFZLE-GMTAPVOTSA-N 0 3 249.376 0.967 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H](C)[C@H](C)OC ZINC000252730442 135103871 /nfs/dbraw/zinc/10/38/71/135103871.db2.gz LJYAAHCJTSBUNS-AEJSXWLSSA-N 0 3 237.365 0.823 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H](C)C[C@H](C)O ZINC000252807943 135111115 /nfs/dbraw/zinc/11/11/15/135111115.db2.gz DFCWQLPURAUPDQ-UTLUCORTSA-N 0 3 237.365 0.559 20 0 BCADHN Cc1c(CNCC2(C)COC2)cnn1C ZINC000087197412 135112466 /nfs/dbraw/zinc/11/24/66/135112466.db2.gz VWEWSXCZSMZLCY-UHFFFAOYSA-N 0 3 209.293 0.855 20 0 BCADHN O[C@H](CN1C[C@H]2CC[C@@H](O)[C@@H]2C1)C(F)(F)F ZINC000252842056 135113158 /nfs/dbraw/zinc/11/31/58/135113158.db2.gz ATWIGQFBWAWAJM-FNCVBFRFSA-N 0 3 239.237 0.612 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N[C@@H](C)[C@H](C)CO ZINC000252867609 135114106 /nfs/dbraw/zinc/11/41/06/135114106.db2.gz RRIXXFATKOXSNA-VWYCJHECSA-N 0 3 230.352 0.754 20 0 BCADHN C[C@@]1(CNC(=O)[C@H]2CCCCN2)CCCO1 ZINC000087254053 135115287 /nfs/dbraw/zinc/11/52/87/135115287.db2.gz SWCTXGVKTXSVRF-PWSUYJOCSA-N 0 3 226.320 0.814 20 0 BCADHN CCOC(=O)COCCN(CCO)C1CC1 ZINC000087256464 135116163 /nfs/dbraw/zinc/11/61/63/135116163.db2.gz GHFKUPUPTGKCLS-UHFFFAOYSA-N 0 3 231.292 0.023 20 0 BCADHN CO[C@H](C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252951445 135117319 /nfs/dbraw/zinc/11/73/19/135117319.db2.gz DVUPBDMNYHBKNG-VWYCJHECSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1CCCO1 ZINC000253486536 135126744 /nfs/dbraw/zinc/12/67/44/135126744.db2.gz XWCYLNRQZIGGHM-IVZWLZJFSA-N 0 3 212.293 0.374 20 0 BCADHN CC[C@@H](CCO)CNC(=O)[C@@H]1CCCCN1 ZINC000087370327 135127201 /nfs/dbraw/zinc/12/72/01/135127201.db2.gz VXUXDCOILJUMKI-QWRGUYRKSA-N 0 3 228.336 0.653 20 0 BCADHN Cn1cnc(CCNCc2cc[nH]c2)n1 ZINC000087416270 135129660 /nfs/dbraw/zinc/12/96/60/135129660.db2.gz ZXXFMIOKSPFXNM-UHFFFAOYSA-N 0 3 205.265 0.476 20 0 BCADHN Cn1cnc(CCNCc2cccn2C)n1 ZINC000087416305 135130204 /nfs/dbraw/zinc/13/02/04/135130204.db2.gz HNPJNMRUKVUCBM-UHFFFAOYSA-N 0 3 219.292 0.486 20 0 BCADHN CCOC(=O)CC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000258753927 135134021 /nfs/dbraw/zinc/13/40/21/135134021.db2.gz GRKFWDALEZIXIX-JTQLQIEISA-N 0 3 242.319 0.492 20 0 BCADHN Cn1c2cc(NC(=O)C3(N)CC3)ccc2oc1=O ZINC000258756395 135134281 /nfs/dbraw/zinc/13/42/81/135134281.db2.gz LBKGXJWVMGFCBM-UHFFFAOYSA-N 0 3 247.254 0.561 20 0 BCADHN CC(C)[C@@H](CO)C(=O)N(C)C1CCN(C)CC1 ZINC000258753852 135134294 /nfs/dbraw/zinc/13/42/94/135134294.db2.gz KTNAVAWDHLZSPS-GFCCVEGCSA-N 0 3 242.363 0.804 20 0 BCADHN CN1CCC(C(=O)N2CCC[C@H](O)C2)CC1 ZINC000258957292 135136181 /nfs/dbraw/zinc/13/61/81/135136181.db2.gz BIAVEGHDIKSJNE-NSHDSACASA-N 0 3 226.320 0.312 20 0 BCADHN COCCCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000087437427 135140701 /nfs/dbraw/zinc/14/07/01/135140701.db2.gz DCMZIKVSFWZUFG-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]C[C@H](C)C[NH3+])o1 ZINC000259347554 135142705 /nfs/dbraw/zinc/14/27/05/135142705.db2.gz YNFDOULGDAZOOZ-SSDOTTSWSA-N 0 3 232.305 0.461 20 0 BCADHN COC[C@H](N[C@H](C)C(=O)N(C)C)C1CC1 ZINC000087478420 135143467 /nfs/dbraw/zinc/14/34/67/135143467.db2.gz XLALRERQQGVDOW-SCZZXKLOSA-N 0 3 214.309 0.478 20 0 BCADHN COC(=O)C(C)(C)NC(=O)C1CCN(C)CC1 ZINC000259833214 135144998 /nfs/dbraw/zinc/14/49/98/135144998.db2.gz DZTZTNKOBPRCMJ-UHFFFAOYSA-N 0 3 242.319 0.396 20 0 BCADHN CCOC(=O)CN(C)[C@H]1CCN(C2CC2)C1 ZINC000260203244 135147519 /nfs/dbraw/zinc/14/75/19/135147519.db2.gz RUDVBKCZZZOFAA-NSHDSACASA-N 0 3 226.320 0.718 20 0 BCADHN COC(=O)C[C@@]1(NC[C@@H]2CCCO2)CCOC1 ZINC000260336117 135148344 /nfs/dbraw/zinc/14/83/44/135148344.db2.gz LTSVZORLACTKKM-JQWIXIFHSA-N 0 3 243.303 0.477 20 0 BCADHN COC(=O)c1cncc(N2CC(N(C)C)C2)n1 ZINC000260582496 135148348 /nfs/dbraw/zinc/14/83/48/135148348.db2.gz XFFXTXLQFXKUJT-UHFFFAOYSA-N 0 3 236.275 0.013 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCCC1 ZINC000260955875 135149347 /nfs/dbraw/zinc/14/93/47/135149347.db2.gz HPMSGXKQRHVTRL-SNVBAGLBSA-N 0 3 201.266 0.396 20 0 BCADHN C[C@H](O)C(C)(C)NCc1cnc(N)s1 ZINC000261527390 135151232 /nfs/dbraw/zinc/15/12/32/135151232.db2.gz AONTYNJWYCQXRD-LURJTMIESA-N 0 3 215.322 0.974 20 0 BCADHN CC(C)(C)[C@H](C[NH3+])[N-]S(=O)(=O)c1c[nH]cn1 ZINC000261530765 135158446 /nfs/dbraw/zinc/15/84/46/135158446.db2.gz ZXGLTYWKSIDDKJ-ZETCQYMHSA-N 0 3 246.336 0.061 20 0 BCADHN NC1(C(=O)NC[C@@H]2CCCS2)CC1 ZINC000087668481 135162594 /nfs/dbraw/zinc/16/25/94/135162594.db2.gz KXSLRNXMCRUOFZ-ZETCQYMHSA-N 0 3 200.307 0.490 20 0 BCADHN Cn1ccc(CNCCc2ncn(C)n2)c1 ZINC000087765211 135167349 /nfs/dbraw/zinc/16/73/49/135167349.db2.gz FIGJXMNUOUDKNE-UHFFFAOYSA-N 0 3 219.292 0.486 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000261535329 135169535 /nfs/dbraw/zinc/16/95/35/135169535.db2.gz ODMPYGMWCHECDF-IWSPIJDZSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CCOC1 ZINC000261539217 135177752 /nfs/dbraw/zinc/17/77/52/135177752.db2.gz BVHPCSXHOCSDQN-IVZWLZJFSA-N 0 3 212.293 0.232 20 0 BCADHN Cc1ccsc1S(=O)(=O)N(C)C1CNC1 ZINC000261539380 135178093 /nfs/dbraw/zinc/17/80/93/135178093.db2.gz CGRYBFDAINHFRR-UHFFFAOYSA-N 0 3 246.357 0.649 20 0 BCADHN CC1(C)CN(C(=O)Cn2cccn2)CCN1 ZINC000261539912 135178647 /nfs/dbraw/zinc/17/86/47/135178647.db2.gz DHYNROBVCKJVPA-UHFFFAOYSA-N 0 3 222.292 0.094 20 0 BCADHN CN(CC(F)F)C(=O)CCOC1CNC1 ZINC000261539993 135178855 /nfs/dbraw/zinc/17/88/55/135178855.db2.gz DLNGQZWHNPSGHQ-UHFFFAOYSA-N 0 3 222.235 0.088 20 0 BCADHN C[C@H]1CCCN1C(=O)CCOC1CNC1 ZINC000261540268 135179316 /nfs/dbraw/zinc/17/93/16/135179316.db2.gz DXJOBEMDFCEDJR-VIFPVBQESA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](C)N)C1CCOCC1 ZINC000261540176 135179536 /nfs/dbraw/zinc/17/95/36/135179536.db2.gz DTIDZKJEQSMOBQ-PSASIEDQSA-N 0 3 214.309 0.655 20 0 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CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](CN)OC ZINC000261554452 135194722 /nfs/dbraw/zinc/19/47/22/135194722.db2.gz UFDXCTHQXZHODM-OPRDCNLKSA-N 0 3 214.309 0.655 20 0 BCADHN CNCC(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000261556007 135196024 /nfs/dbraw/zinc/19/60/24/135196024.db2.gz VNPQBQRUAJAURF-UWVGGRQHSA-N 0 3 214.309 0.526 20 0 BCADHN CC[C@H](NC(=O)[C@H]1C[C@H](C)CCN1)C(=O)OC ZINC000261556174 135196491 /nfs/dbraw/zinc/19/64/91/135196491.db2.gz QMKNCGYMPLJMPG-KXUCPTDWSA-N 0 3 242.319 0.442 20 0 BCADHN CC1(C)CN(C(=O)COCC2CC2)CCN1 ZINC000261559362 135199999 /nfs/dbraw/zinc/19/99/99/135199999.db2.gz YXXAMHBTKONYLX-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CN(C(=O)C(N)C(F)(F)F)[C@@H]1CCSC1 ZINC000261560072 135200983 /nfs/dbraw/zinc/20/09/83/135200983.db2.gz ZMHSUPLEOTUWQD-RITPCOANSA-N 0 3 242.266 0.840 20 0 BCADHN NC1(c2nc(C3(N)CCCC3)no2)CC1 ZINC000261564828 135206937 /nfs/dbraw/zinc/20/69/37/135206937.db2.gz CTFBAWXFIGHZNX-UHFFFAOYSA-N 0 3 208.265 0.745 20 0 BCADHN NC(C(=O)NC[C@H]1CCCS1)C(F)(F)F ZINC000261569068 135211651 /nfs/dbraw/zinc/21/16/51/135211651.db2.gz GBHXYYRCSUUISO-PHDIDXHHSA-N 0 3 242.266 0.888 20 0 BCADHN NC(C(=O)NC[C@H]1CCCO1)C(F)(F)F ZINC000261571303 135213339 /nfs/dbraw/zinc/21/33/39/135213339.db2.gz HKKBOEWRUPVACZ-PHDIDXHHSA-N 0 3 226.198 0.171 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)[C@@H](N)CC ZINC000261577839 135218890 /nfs/dbraw/zinc/21/88/90/135218890.db2.gz LLFCTMAUORXYPC-ZJUUUORDSA-N 0 3 213.325 0.324 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-][C@H]2C[C@H]([NH3+])C2)s1 ZINC000261584064 135225199 /nfs/dbraw/zinc/22/51/99/135225199.db2.gz PKEUWTISNRGAIS-LJGSYFOKSA-N 0 3 247.345 0.220 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000261584351 135225311 /nfs/dbraw/zinc/22/53/11/135225311.db2.gz PRVWRMQFVLXMRO-BBBLOLIVSA-N 0 3 212.293 0.361 20 0 BCADHN [NH3+]CCC[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000261588814 135229484 /nfs/dbraw/zinc/22/94/84/135229484.db2.gz SOPBXWCRRXTFRA-UHFFFAOYSA-N 0 3 249.723 0.362 20 0 BCADHN CCCC1(C(=O)NCCNCCOC)CC1 ZINC000261589320 135230150 /nfs/dbraw/zinc/23/01/50/135230150.db2.gz TUCGGTCBJZHMFX-UHFFFAOYSA-N 0 3 228.336 0.919 20 0 BCADHN Cc1c(NC(=O)[C@H](N)C(C)C)cnn1C ZINC000261589402 135230367 /nfs/dbraw/zinc/23/03/67/135230367.db2.gz TYCSZRRNHITUBQ-SECBINFHSA-N 0 3 210.281 0.650 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)[C@H](C)C1(C)CC1 ZINC000261594832 135235067 /nfs/dbraw/zinc/23/50/67/135235067.db2.gz XTDCURJFTCULCW-BDAKNGLRSA-N 0 3 214.309 0.607 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)o1 ZINC000261546343 135238310 /nfs/dbraw/zinc/23/83/10/135238310.db2.gz KWNIKAHQYSHTIV-MRVPVSSYSA-N 0 3 230.289 0.228 20 0 BCADHN O=C(CCOC1CNC1)NCC1CCC1 ZINC000261547024 135239270 /nfs/dbraw/zinc/23/92/70/135239270.db2.gz LPFGQMDFIXSFGH-UHFFFAOYSA-N 0 3 212.293 0.281 20 0 BCADHN Cc1cccc(NC(=O)NCC2(O)CNC2)c1 ZINC000261547421 135240013 /nfs/dbraw/zinc/24/00/13/135240013.db2.gz HZHZZCSWUOSHKM-UHFFFAOYSA-N 0 3 235.287 0.451 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000261697544 135246809 /nfs/dbraw/zinc/24/68/09/135246809.db2.gz CLSHARPGQOTILZ-UTLUCORTSA-N 0 3 241.335 0.097 20 0 BCADHN NCC(=O)NCc1nc(C2CCCCC2)no1 ZINC000261728851 135248383 /nfs/dbraw/zinc/24/83/83/135248383.db2.gz KAOSDZYAULZHFE-UHFFFAOYSA-N 0 3 238.291 0.692 20 0 BCADHN O=S(=O)(CC1CCCC1)N[C@@H]1CCCNC1 ZINC000261725915 135248398 /nfs/dbraw/zinc/24/83/98/135248398.db2.gz RUISPXBCPQPRKX-LLVKDONJSA-N 0 3 246.376 0.848 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@H]1C1CCOCC1 ZINC000261833886 135256487 /nfs/dbraw/zinc/25/64/87/135256487.db2.gz JRZJEMWJJVVIRL-KOLCDFICSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H](N)C(=O)Nc1nc2c(cccc2F)n1C ZINC000261838305 135256865 /nfs/dbraw/zinc/25/68/65/135256865.db2.gz KNMCTCBMEWHCDZ-ZCFIWIBFSA-N 0 3 236.250 0.998 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000261845298 135256950 /nfs/dbraw/zinc/25/69/50/135256950.db2.gz LRLSGTIADMJPOK-KYXWUPHJSA-N 0 3 224.304 0.407 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000261895652 135260751 /nfs/dbraw/zinc/26/07/51/135260751.db2.gz XLVJYTUNDASJTK-MWLCHTKSSA-N 0 3 226.320 0.609 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261896251 135260923 /nfs/dbraw/zinc/26/09/23/135260923.db2.gz UNTUBNWZTZDPHY-RGOKHQFPSA-N 0 3 226.320 0.653 20 0 BCADHN CC(C)NS(=O)(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000262064920 135276797 /nfs/dbraw/zinc/27/67/97/135276797.db2.gz OJXVTCWMMUMNDV-AOOOYVTPSA-N 0 3 247.364 0.056 20 0 BCADHN [NH3+][C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000262101628 135278756 /nfs/dbraw/zinc/27/87/56/135278756.db2.gz SVHPIDFWRSGSFA-DTWKUNHWSA-N 0 3 244.316 0.828 20 0 BCADHN [NH3+][C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000262101630 135279093 /nfs/dbraw/zinc/27/90/93/135279093.db2.gz SVHPIDFWRSGSFA-RKDXNWHRSA-N 0 3 244.316 0.828 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCCC(=O)N(C)C ZINC000262115057 135279641 /nfs/dbraw/zinc/27/96/41/135279641.db2.gz IEEAEVBUUNWHJH-GFCCVEGCSA-N 0 3 243.351 0.489 20 0 BCADHN CCC[C@@](C)(N)C(=O)NC[C@@H](C)C(=O)OCC ZINC000262143388 135281503 /nfs/dbraw/zinc/28/15/03/135281503.db2.gz PUQGWHMAAHAFFL-BXKDBHETSA-N 0 3 244.335 0.819 20 0 BCADHN COCC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342487353 135281742 /nfs/dbraw/zinc/28/17/42/135281742.db2.gz CRTIQTWSJYWNSP-SCZZXKLOSA-N 0 3 212.293 0.232 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)C[C@@H]1CCOC1 ZINC000262151491 135282073 /nfs/dbraw/zinc/28/20/73/135282073.db2.gz RRMWCBFARCTAOI-JQWIXIFHSA-N 0 3 228.336 0.999 20 0 BCADHN C[C@@H](CO)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000079131513 135282386 /nfs/dbraw/zinc/28/23/86/135282386.db2.gz DNSBICNHHRMWGF-MNOVXSKESA-N 0 3 243.351 0.398 20 0 BCADHN COCCNCCNC(=O)c1cnccc1C ZINC000262174689 135283584 /nfs/dbraw/zinc/28/35/84/135283584.db2.gz VQXIEFHTOIGVCF-UHFFFAOYSA-N 0 3 237.303 0.356 20 0 BCADHN C[C@@H](C(N)=O)N(C)CC[C@H]1CCCO1 ZINC000342591930 135293851 /nfs/dbraw/zinc/29/38/51/135293851.db2.gz DXPQKRCAPLZMKW-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000342544513 135295374 /nfs/dbraw/zinc/29/53/74/135295374.db2.gz LBMXHJLGSYXQHL-KXUCPTDWSA-N 0 3 245.392 0.228 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)CC1(C)COC1 ZINC000342635302 135298395 /nfs/dbraw/zinc/29/83/95/135298395.db2.gz QDJOFGOWGQILLW-YMTOWFKASA-N 0 3 219.350 0.722 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N(C)CC[C@H]1CCCO1 ZINC000342604630 135301899 /nfs/dbraw/zinc/30/18/99/135301899.db2.gz NIXOXQUDFPQNAX-DTWKUNHWSA-N 0 3 243.307 0.071 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N(C)CC[C@H]1CCCO1 ZINC000342604634 135301925 /nfs/dbraw/zinc/30/19/25/135301925.db2.gz NIXOXQUDFPQNAX-RKDXNWHRSA-N 0 3 243.307 0.071 20 0 BCADHN CC[C@@H]1CCN(C(=O)[C@H](N)CCC(=O)OC)C1 ZINC000342664069 135308424 /nfs/dbraw/zinc/30/84/24/135308424.db2.gz XHMFACHOQWVCIA-NXEZZACHSA-N 0 3 242.319 0.525 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H]1C ZINC000342746821 135310981 /nfs/dbraw/zinc/31/09/81/135310981.db2.gz GNAJVCBIEVRSFU-IUCAKERBSA-N 0 3 228.292 0.278 20 0 BCADHN COCCCOCC(=O)NCCN(C)C1CC1 ZINC000342746499 135311293 /nfs/dbraw/zinc/31/12/93/135311293.db2.gz UMIXKYCFIRNTOC-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN CCC(C)(CC)NC(=O)[C@@H](N)CCC(=O)OC ZINC000342754724 135312096 /nfs/dbraw/zinc/31/20/96/135312096.db2.gz SXPIRZVCRWMHTP-VIFPVBQESA-N 0 3 244.335 0.962 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCNCC1(F)F)N(C)C ZINC000342710958 135313217 /nfs/dbraw/zinc/31/32/17/135313217.db2.gz PZZUOILWELUKSK-IUCAKERBSA-N 0 3 249.305 0.298 20 0 BCADHN NCC(F)(F)CNC(=O)C1(N)CCCCC1 ZINC000262703984 135314518 /nfs/dbraw/zinc/31/45/18/135314518.db2.gz LWELOQUPUGRUDF-UHFFFAOYSA-N 0 3 235.278 0.358 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCO[C@H](COC)C1 ZINC000262710824 135314761 /nfs/dbraw/zinc/31/47/61/135314761.db2.gz QGKVXJXUUFVKEV-DCAQKATOSA-N 0 3 244.335 0.234 20 0 BCADHN Cc1c(C(=O)N2CCN[C@H](C)[C@@H]2C)cnn1C ZINC000262737628 135316247 /nfs/dbraw/zinc/31/62/47/135316247.db2.gz CYDNDNIHFXUJEU-BDAKNGLRSA-N 0 3 236.319 0.551 20 0 BCADHN CNCC(=O)N[C@H]1CCO[C@H](CC(C)C)C1 ZINC000262761085 135317583 /nfs/dbraw/zinc/31/75/83/135317583.db2.gz RNJMYZFTVFKBSR-WDEREUQCSA-N 0 3 228.336 0.916 20 0 BCADHN Cc1cc(=O)[nH]cc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262777987 135318077 /nfs/dbraw/zinc/31/80/77/135318077.db2.gz LBDCGRDAVZTHQV-VHSXEESVSA-N 0 3 249.314 0.918 20 0 BCADHN C[C@@H]1NCCN(C(=O)COCC2CC2)[C@H]1C ZINC000262821565 135320285 /nfs/dbraw/zinc/32/02/85/135320285.db2.gz SOZMNZFKGYBVNO-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1NCCN(C(=O)[C@@H]2CCCOC2)[C@H]1C ZINC000262841450 135320712 /nfs/dbraw/zinc/32/07/12/135320712.db2.gz XLJIEGDJGPOPPV-GARJFASQSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CCCOC1 ZINC000262841451 135320868 /nfs/dbraw/zinc/32/08/68/135320868.db2.gz XLJIEGDJGPOPPV-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN CNC(=O)[C@@H]1CCCN(CCOCCOC)C1 ZINC000079433838 135321199 /nfs/dbraw/zinc/32/11/99/135321199.db2.gz PCXCKVJFNGSAML-LLVKDONJSA-N 0 3 244.335 0.107 20 0 BCADHN CC(C)[C@H](C(=O)N1CCC[C@@H](O)CC1)N(C)C ZINC000334222648 135328476 /nfs/dbraw/zinc/32/84/76/135328476.db2.gz VTVNHJZNFSBFOU-VXGBXAGGSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCC[C@H](O)CC1)N(C)C ZINC000334222646 135328673 /nfs/dbraw/zinc/32/86/73/135328673.db2.gz VTVNHJZNFSBFOU-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN CN(C)C1(CNC(=O)[C@](C)(O)C2CC2)CCC1 ZINC000342926522 135335774 /nfs/dbraw/zinc/33/57/74/135335774.db2.gz LSJVLZJNEMEVHB-GFCCVEGCSA-N 0 3 240.347 0.748 20 0 BCADHN CN1CC[C@H](C(=O)NC[C@H]2CCCC2=O)C1 ZINC000334287161 135339869 /nfs/dbraw/zinc/33/98/69/135339869.db2.gz CTLYBWBIXRULQH-ZJUUUORDSA-N 0 3 224.304 0.424 20 0 BCADHN CC(C(=O)N[C@H]1CCC1(C)C)S(C)(=O)=O ZINC000334293823 135341213 /nfs/dbraw/zinc/34/12/13/135341213.db2.gz RFRXNRJKDIHNHK-YUMQZZPRSA-N 0 3 233.333 0.724 20 0 BCADHN CC(C)[C@H](C(=O)N1CC(CCO)C1)N(C)C ZINC000343011328 135344561 /nfs/dbraw/zinc/34/45/61/135344561.db2.gz DTNOJPGGORQRKT-LLVKDONJSA-N 0 3 228.336 0.413 20 0 BCADHN CC[C@@H](CO)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000342966897 135345252 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MXEDKLAAGQFYBV-UHFFFAOYSA-N 0 3 216.325 0.604 20 0 BCADHN CN1CCC(C(=O)N2CCOCC23CC3)CC1 ZINC000334413249 135396123 /nfs/dbraw/zinc/39/61/23/135396123.db2.gz VQEGHBCEJUGJBW-UHFFFAOYSA-N 0 3 238.331 0.720 20 0 BCADHN CC[C@H]1CN(CC(=O)N2CCCCC2)C[C@H]1O ZINC000334166261 135398233 /nfs/dbraw/zinc/39/82/33/135398233.db2.gz AQHFBECIMOWVPP-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2(N)CCCCC2)CO1 ZINC000335442017 135413039 /nfs/dbraw/zinc/41/30/39/135413039.db2.gz XAWAAYNIGXQUBR-ZJUUUORDSA-N 0 3 226.320 0.942 20 0 BCADHN CC(C)[C@@H](CO)N[C@H](C)CS(C)(=O)=O ZINC000086122222 135490124 /nfs/dbraw/zinc/49/01/24/135490124.db2.gz NMFBYTMHIYMMMH-RKDXNWHRSA-N 0 3 223.338 0.026 20 0 BCADHN C=Cn1cc(CNC[C@@]2(O)CCSC2)cn1 ZINC000194352384 135630773 /nfs/dbraw/zinc/63/07/73/135630773.db2.gz YMRSXACKQLZTJE-NSHDSACASA-N 0 3 239.344 0.941 20 0 BCADHN CNCC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000195162353 135660622 /nfs/dbraw/zinc/66/06/22/135660622.db2.gz MZPBUKYFVATCFD-MNOVXSKESA-N 0 3 228.336 0.917 20 0 BCADHN CSC1(CNC(=O)N2CCCNCC2)CC1 ZINC000334934972 135845131 /nfs/dbraw/zinc/84/51/31/135845131.db2.gz ANRCTNMXOHKSKB-UHFFFAOYSA-N 0 3 243.376 0.887 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC2(C1)CCOCC2 ZINC000335280432 135993627 /nfs/dbraw/zinc/99/36/27/135993627.db2.gz JXJFQUHUQHUCOY-VHSXEESVSA-N 0 3 224.304 0.363 20 0 BCADHN CN1CCN(C(=O)[C@@H]2C[C@@H]2N)c2ccccc2C1 ZINC000335281923 136000397 /nfs/dbraw/zinc/00/03/97/136000397.db2.gz ZFZUHRWWUNFRCS-NEPJUHHUSA-N 0 3 245.326 0.812 20 0 BCADHN Cc1nc(CNC(=O)[C@@H]2C[C@@H]2N)sc1C ZINC000335282768 136000530 /nfs/dbraw/zinc/00/05/30/136000530.db2.gz VIMZLEYCCIWCFT-SFYZADRCSA-N 0 3 225.317 0.723 20 0 BCADHN CC[C@H](C(=O)N1CC(C)(OC)C1)N(C)C ZINC000347717232 136003151 /nfs/dbraw/zinc/00/31/51/136003151.db2.gz JKVZLXISXTVPQG-SECBINFHSA-N 0 3 214.309 0.574 20 0 BCADHN CCCN(C)CC(=O)N1CC(C)(OC)C1 ZINC000347718690 136003588 /nfs/dbraw/zinc/00/35/88/136003588.db2.gz KWPACMOJSZXJNS-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN CN1CCC(C(=O)NC[C@](C)(O)C2CC2)CC1 ZINC000347738245 136005025 /nfs/dbraw/zinc/00/50/25/136005025.db2.gz LKUHMPBHYQPXAT-ZDUSSCGKSA-N 0 3 240.347 0.605 20 0 BCADHN CCN1C[C@H](C)N(CC(=O)NC2CC2)[C@@H](C)C1 ZINC000347693360 136005954 /nfs/dbraw/zinc/00/59/54/136005954.db2.gz QTHRFGIDEXRFIE-QWRGUYRKSA-N 0 3 239.363 0.680 20 0 BCADHN C[C@H]1c2ccccc2CN1C(=O)C(=O)NCCN ZINC000335297701 136007104 /nfs/dbraw/zinc/00/71/04/136007104.db2.gz NMSMPOZHGKVTPC-VIFPVBQESA-N 0 3 247.298 0.165 20 0 BCADHN C[C@@H]1c2ccccc2CN1C(=O)C(=O)NCCN ZINC000335297698 136007177 /nfs/dbraw/zinc/00/71/77/136007177.db2.gz NMSMPOZHGKVTPC-SECBINFHSA-N 0 3 247.298 0.165 20 0 BCADHN CCN1C[C@@H](C)N(CC(=O)NC(C)C)[C@@H](C)C1 ZINC000347702612 136007794 /nfs/dbraw/zinc/00/77/94/136007794.db2.gz JFDOLHIJJRKYNV-TXEJJXNPSA-N 0 3 241.379 0.926 20 0 BCADHN C[C@@H](CF)NC(=O)N[C@@H]1CNCCC1(F)F ZINC000335299203 136008163 /nfs/dbraw/zinc/00/81/63/136008163.db2.gz GABWCJFTIQTPIJ-NKWVEPMBSA-N 0 3 239.241 0.641 20 0 BCADHN C[C@H]1OCC[C@H]1NC(=O)N1CCCN(C)CC1 ZINC000335298904 136008183 /nfs/dbraw/zinc/00/81/83/136008183.db2.gz YXOGQHMQOHBKMZ-GHMZBOCLSA-N 0 3 241.335 0.511 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H]1CCCS1 ZINC000347797304 136009025 /nfs/dbraw/zinc/00/90/25/136009025.db2.gz XPGGPHZFTJUNCW-SNVBAGLBSA-N 0 3 246.376 0.312 20 0 BCADHN CC(=O)[C@@](C)(O)CN(C)CCc1ccncc1 ZINC000347769217 136009030 /nfs/dbraw/zinc/00/90/30/136009030.db2.gz WHRGSFVPGYLTRH-ZDUSSCGKSA-N 0 3 236.315 0.896 20 0 BCADHN CC(C)OCCNC(=O)NCCN(C)C1CC1 ZINC000347746826 136010682 /nfs/dbraw/zinc/01/06/82/136010682.db2.gz XERNPYPFYVHJMK-UHFFFAOYSA-N 0 3 243.351 0.805 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC[C@H](N(C)C)C1 ZINC000347746699 136010741 /nfs/dbraw/zinc/01/07/41/136010741.db2.gz CTDZGUUDIDWQGV-NWDGAFQWSA-N 0 3 228.336 0.352 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC[C@@H](N(C)C)C1 ZINC000347746702 136010886 /nfs/dbraw/zinc/01/08/86/136010886.db2.gz CTDZGUUDIDWQGV-VXGBXAGGSA-N 0 3 228.336 0.352 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)C[C@@H]1CCCO1 ZINC000347750712 136011299 /nfs/dbraw/zinc/01/12/99/136011299.db2.gz OIGFKPWKXDMYDK-WDEREUQCSA-N 0 3 215.293 0.437 20 0 BCADHN Cc1cc(C(=O)NC[C@@H](C)N(C)C)nc(C)n1 ZINC000347846134 136012502 /nfs/dbraw/zinc/01/25/02/136012502.db2.gz JSXZKYWEXXRLEV-SECBINFHSA-N 0 3 236.319 0.773 20 0 BCADHN CC(=O)c1c[nH]c(C(=O)NC[C@@H](C)N(C)C)c1 ZINC000347819476 136013651 /nfs/dbraw/zinc/01/36/51/136013651.db2.gz FOVGTTLBJQEZTO-MRVPVSSYSA-N 0 3 237.303 0.897 20 0 BCADHN COCC(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000347911312 136016019 /nfs/dbraw/zinc/01/60/19/136016019.db2.gz JWKYILCAWIJARL-SNVBAGLBSA-N 0 3 214.309 0.622 20 0 BCADHN COC(=O)c1cc(CNC[C@H](C)CO)cn1C ZINC000347874224 136017144 /nfs/dbraw/zinc/01/71/44/136017144.db2.gz GYAAFBAPLPEAOH-VIFPVBQESA-N 0 3 240.303 0.530 20 0 BCADHN NS(=O)(=O)[C@H]1CCN(C2CCCC2)C1 ZINC000335307742 136027314 /nfs/dbraw/zinc/02/73/14/136027314.db2.gz ZMLWXKWECDBTPS-VIFPVBQESA-N 0 3 218.322 0.292 20 0 BCADHN CN(C)C(=O)CN1CC[C@H](O)C12CCCC2 ZINC000335310986 136029431 /nfs/dbraw/zinc/02/94/31/136029431.db2.gz IQOWBSXTCLQMFG-JTQLQIEISA-N 0 3 226.320 0.454 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)COC(F)F ZINC000335313216 136031126 /nfs/dbraw/zinc/03/11/26/136031126.db2.gz KHQJANBLXDOMHO-QMMMGPOBSA-N 0 3 236.262 0.778 20 0 BCADHN CNC(=O)CN(C)CCCCn1ccnc1C ZINC000348052453 136031198 /nfs/dbraw/zinc/03/11/98/136031198.db2.gz SZPKZCVQJXDBHM-UHFFFAOYSA-N 0 3 238.335 0.650 20 0 BCADHN CC(C)OC[C@@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1C ZINC000348118625 136032523 /nfs/dbraw/zinc/03/25/23/136032523.db2.gz OLZGSQQTCQFJMV-AXFHLTTASA-N 0 3 249.376 0.823 20 0 BCADHN O=C(N1CCN2CCC[C@H]2C1)C1(O)CCCC1 ZINC000335338052 136044950 /nfs/dbraw/zinc/04/49/50/136044950.db2.gz HTKUNFIGZAYBLI-NSHDSACASA-N 0 3 238.331 0.598 20 0 BCADHN CO[C@H]1C[C@@H](CN(C)C(=O)C2=CCC2)N(C)C1 ZINC000348214345 136046304 /nfs/dbraw/zinc/04/63/04/136046304.db2.gz GIWYPUQIAHWMSB-RYUDHWBXSA-N 0 3 238.331 0.884 20 0 BCADHN OC[C@H]1CC[C@@H](CNCc2cncs2)O1 ZINC000348216807 136046425 /nfs/dbraw/zinc/04/64/25/136046425.db2.gz IVWAFNUZQXDQSJ-DTWKUNHWSA-N 0 3 228.317 0.773 20 0 BCADHN OC[C@H]1CC[C@H](CNCc2cncs2)O1 ZINC000348216809 136046659 /nfs/dbraw/zinc/04/66/59/136046659.db2.gz IVWAFNUZQXDQSJ-RKDXNWHRSA-N 0 3 228.317 0.773 20 0 BCADHN Cc1n[nH]cc1CNC[C@H]1CC[C@H](CO)O1 ZINC000348220244 136047002 /nfs/dbraw/zinc/04/70/02/136047002.db2.gz MTTAHEOIFUJXBX-GHMZBOCLSA-N 0 3 225.292 0.348 20 0 BCADHN OC[C@H]1CC[C@@H](CNCc2cc[nH]c2)O1 ZINC000348224441 136047859 /nfs/dbraw/zinc/04/78/59/136047859.db2.gz RZDUJFQJCCORFF-WDEREUQCSA-N 0 3 210.277 0.644 20 0 BCADHN O=C1NCC[C@@H]1N[C@@H]1CCC[C@@H]1OC(F)F ZINC000348222502 136047885 /nfs/dbraw/zinc/04/78/85/136047885.db2.gz LOCGMMPTBCNPJT-CSMHCCOUSA-N 0 3 234.246 0.625 20 0 BCADHN Cn1cccc1CNC[C@@H]1CC[C@@H](CO)O1 ZINC000348227118 136048369 /nfs/dbraw/zinc/04/83/69/136048369.db2.gz UXCWVDWLQNEWNT-RYUDHWBXSA-N 0 3 224.304 0.655 20 0 BCADHN Cc1cnn(C)c1CN[C@H]1C=C[C@H](CO)C1 ZINC000348187877 136048511 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/nfs/dbraw/zinc/11/14/58/398111458.db2.gz WMCQPJRCEJLXJE-SRVKXCTJSA-N 0 3 240.347 0.964 20 0 BCADHN Cc1ccn(CC(=O)N2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000650322978 398111823 /nfs/dbraw/zinc/11/18/23/398111823.db2.gz YYPLQNDYHOUJBE-RYUDHWBXSA-N 0 3 248.330 0.354 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H](N)CC(F)F)[C@H](C)O1 ZINC000384876510 398114152 /nfs/dbraw/zinc/11/41/52/398114152.db2.gz JCSJMTKPUAKENY-CWKFCGSDSA-N 0 3 236.262 0.651 20 0 BCADHN C[C@@H]1C[C@H](O)CN(CCOC[C@@H]2CCCO2)C1 ZINC000650328019 398114822 /nfs/dbraw/zinc/11/48/22/398114822.db2.gz AJHUGSKHFGHINN-AGIUHOORSA-N 0 3 243.347 0.885 20 0 BCADHN CN(C)C1(CNc2ncnc3c2cnn3C)CC1 ZINC000397853237 398123836 /nfs/dbraw/zinc/12/38/36/398123836.db2.gz KXDOTQQABAGJNR-UHFFFAOYSA-N 0 3 246.318 0.869 20 0 BCADHN COC[C@@H](O)CN(CCO)Cc1ccccc1 ZINC000070079151 398125427 /nfs/dbraw/zinc/12/54/27/398125427.db2.gz MLJLXXYNXFPSKG-ZDUSSCGKSA-N 0 3 239.315 0.488 20 0 BCADHN CCC[C@](C)(N)C(=O)NCc1ccc(=O)[nH]c1 ZINC000262662568 398126465 /nfs/dbraw/zinc/12/64/65/398126465.db2.gz ZCOGIFFFIVGENZ-LBPRGKRZSA-N 0 3 237.303 0.921 20 0 BCADHN CN(CCNC(=O)c1cc(F)c[nH]1)C1CC1 ZINC000294108943 398122039 /nfs/dbraw/zinc/12/20/39/398122039.db2.gz MVXUMOSZDRQTCW-UHFFFAOYSA-N 0 3 225.267 0.978 20 0 BCADHN COCC[C@](C)(O)CNCc1c(C)cnn1C ZINC000286317361 398132223 /nfs/dbraw/zinc/13/22/23/398132223.db2.gz DFQDROZZOWSDRM-LBPRGKRZSA-N 0 3 241.335 0.606 20 0 BCADHN Cc1cnn(C)c1CN[C@H](C)[C@@H](C)CO ZINC000286325404 398132595 /nfs/dbraw/zinc/13/25/95/398132595.db2.gz DMTZVWPSTWCXLH-VHSXEESVSA-N 0 3 211.309 0.835 20 0 BCADHN CC(C)NC(=O)CN1CCCC[C@@H]1[C@H](C)O ZINC000303996020 167051525 /nfs/dbraw/zinc/05/15/25/167051525.db2.gz PCLIOJZANZOXRX-WDEREUQCSA-N 0 3 228.336 0.746 20 0 BCADHN CNCC(=O)N1CC[C@H](OCC(C)C)C1 ZINC000237192636 173328102 /nfs/dbraw/zinc/32/81/02/173328102.db2.gz RPNIUDGZSOJPGD-JTQLQIEISA-N 0 3 214.309 0.479 20 0 BCADHN CC(C)NC(=O)CNC(=O)[C@@]1(C)CCCCN1 ZINC000136146860 167055668 /nfs/dbraw/zinc/05/56/68/167055668.db2.gz IGFAIGUHHVPXQB-GFCCVEGCSA-N 0 3 241.335 0.159 20 0 BCADHN COCCCCCNC(=O)[C@@H](N)C(C)C ZINC000225404617 174180743 /nfs/dbraw/zinc/18/07/43/174180743.db2.gz POSMKOXMEHLKFL-JTQLQIEISA-N 0 3 216.325 0.903 20 0 BCADHN CC(C)NCC(=O)N(CC(N)=O)C1CCCC1 ZINC000037813919 167095227 /nfs/dbraw/zinc/09/52/27/167095227.db2.gz UFMGAGLCYIICKK-UHFFFAOYSA-N 0 3 241.335 0.241 20 0 BCADHN COCCNCC(=O)N1[C@H](C)CC[C@H]1C ZINC000237154913 174330730 /nfs/dbraw/zinc/33/07/30/174330730.db2.gz UCJOLCLFSOAOBO-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CCO[C@H]1C[C@H](NC(=O)N(C)CCN(C)C)C1 ZINC000666132327 487529630 /nfs/dbraw/zinc/52/96/30/487529630.db2.gz UKRHIFCLEPNLJI-XYPYZODXSA-N 0 3 243.351 0.757 20 0 BCADHN Cc1nn(C)cc1CN(C)C[C@H](O)C1CC1 ZINC000685461500 487529439 /nfs/dbraw/zinc/52/94/39/487529439.db2.gz NVJNTWZZHDOAAB-LBPRGKRZSA-N 0 3 223.320 0.931 20 0 BCADHN C[C@@H]1C[C@@H](NCc2cn(C)nn2)C[C@H](C)O1 ZINC000309451646 487557874 /nfs/dbraw/zinc/55/78/74/487557874.db2.gz MSXJYCNUFCDHTE-ILWJIGKKSA-N 0 3 224.308 0.861 20 0 BCADHN CCOC1CC(NCC(=O)NC2CC2)C1 ZINC000169179732 487562902 /nfs/dbraw/zinc/56/29/02/487562902.db2.gz IBDWZBPPYQNXHL-UHFFFAOYSA-N 0 3 212.293 0.422 20 0 BCADHN CCN(CCCOC(C)(C)C)CC(N)=O ZINC000682778659 487563492 /nfs/dbraw/zinc/56/34/92/487563492.db2.gz OGOVKCHZCQYRBK-UHFFFAOYSA-N 0 3 216.325 0.999 20 0 BCADHN CCCNS(=O)(=O)N[C@H]1CCN(CCC)C1 ZINC000660028145 487563998 /nfs/dbraw/zinc/56/39/98/487563998.db2.gz RUPVITKOEITASW-JTQLQIEISA-N 0 3 249.380 0.305 20 0 BCADHN Cc1n[nH]cc1CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000680332998 487565728 /nfs/dbraw/zinc/56/57/28/487565728.db2.gz HDUHOXYNYKTJQR-ZMLRMANQSA-N 0 3 221.304 0.921 20 0 BCADHN CC(C)OC1CC(NC2(C(N)=O)CC2)C1 ZINC000336750495 167177465 /nfs/dbraw/zinc/17/74/65/167177465.db2.gz FXXCTUMICRIAEJ-UHFFFAOYSA-N 0 3 212.293 0.550 20 0 BCADHN CC(C)OCC(=O)N1CCN(C)CC[C@H]1C ZINC000336520051 167182226 /nfs/dbraw/zinc/18/22/26/167182226.db2.gz GMRZKXVSMPMZKD-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)OCC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000310462436 167183941 /nfs/dbraw/zinc/18/39/41/167183941.db2.gz YEUGOTHUQODCIH-ZDUSSCGKSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)OCC(=O)NC1CCN(C)CC1 ZINC000122020776 167184151 /nfs/dbraw/zinc/18/41/51/167184151.db2.gz GAKLZKLSXZVZRB-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN O=C(CN1CC[NH2+]CC1)Nc1ccccc1[O-] ZINC000079052784 487568446 /nfs/dbraw/zinc/56/84/46/487568446.db2.gz GRXKRXAPGMZOFU-UHFFFAOYSA-N 0 3 235.287 0.236 20 0 BCADHN COCCN1CCC[C@@H]1CNC(=O)CCCF ZINC000668262390 487571179 /nfs/dbraw/zinc/57/11/79/487571179.db2.gz OJRZFJCLAOVVPO-LLVKDONJSA-N 0 3 246.326 0.963 20 0 BCADHN CC[C@]1(C)C[C@@H]1C(=O)N1CCN(C)C[C@@H]1CN ZINC000162453417 487571894 /nfs/dbraw/zinc/57/18/94/487571894.db2.gz WSQZJFJZFNTRPZ-DMDPSCGWSA-N 0 3 239.363 0.524 20 0 BCADHN CC[C@]1(C)C[C@H]1C(=O)N1CCN(C)C[C@@H]1CN ZINC000162453657 487572130 /nfs/dbraw/zinc/57/21/30/487572130.db2.gz WSQZJFJZFNTRPZ-GMXVVIOVSA-N 0 3 239.363 0.524 20 0 BCADHN C[C@@H](N[C@@H]1CCCOC1)C(=O)NCCF ZINC000308897549 487574526 /nfs/dbraw/zinc/57/45/26/487574526.db2.gz ATHDZHGIGFQCDB-RKDXNWHRSA-N 0 3 218.272 0.229 20 0 BCADHN N[C@@H]1CN(C(=O)[C@@H]2CCCO2)CC[C@H]1F ZINC000659386945 487575672 /nfs/dbraw/zinc/57/56/72/487575672.db2.gz IXCJNCNVXCMGKV-HLTSFMKQSA-N 0 3 216.256 0.063 20 0 BCADHN CC(C)OCCCN1CC[C@H](NC(N)=O)C1 ZINC000330507533 167215635 /nfs/dbraw/zinc/21/56/35/167215635.db2.gz BCQSINZJBUMKGC-JTQLQIEISA-N 0 3 229.324 0.958 20 0 BCADHN COCCN(C(=O)CN)C1CCCC1 ZINC000238367878 487578292 /nfs/dbraw/zinc/57/82/92/487578292.db2.gz AQVINJYSYZXKII-UHFFFAOYSA-N 0 3 200.282 0.363 20 0 BCADHN CCN(Cc1cnn(C)c1)C[C@H](C)CO ZINC000120782993 490068314 /nfs/dbraw/zinc/06/83/14/490068314.db2.gz WXYAWYDLIKZBLA-JTQLQIEISA-N 0 3 211.309 0.870 20 0 BCADHN CC1(C)C[C@@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405249924 487579603 /nfs/dbraw/zinc/57/96/03/487579603.db2.gz CIWDWOBPGJPKGW-HBNTYKKESA-N 0 3 238.331 0.310 20 0 BCADHN COC[C@@H](NCC(=O)Nc1ccon1)C1CC1 ZINC000680385006 487581968 /nfs/dbraw/zinc/58/19/68/487581968.db2.gz HMNFDOSHCMCSSS-SECBINFHSA-N 0 3 239.275 0.628 20 0 BCADHN CC(C)OCCN1CCCN(C(N)=O)CC1 ZINC000102190839 167232643 /nfs/dbraw/zinc/23/26/43/167232643.db2.gz CIKHYQWDPIJZSJ-UHFFFAOYSA-N 0 3 229.324 0.498 20 0 BCADHN C[C@H](CNC(=O)Cc1cncn1C)N(C)C ZINC000672741275 487583690 /nfs/dbraw/zinc/58/36/90/487583690.db2.gz STKPCQJEUXIVRQ-SECBINFHSA-N 0 3 224.308 0.029 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@H]1COC ZINC000674468890 487584716 /nfs/dbraw/zinc/58/47/16/487584716.db2.gz FGLRDGKDZSTACT-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CC(C)OCCN[C@H]1C(=O)NCC[C@H]1C ZINC000193575245 167243985 /nfs/dbraw/zinc/24/39/85/167243985.db2.gz XVTPKKOPJHTGBK-NXEZZACHSA-N 0 3 214.309 0.526 20 0 BCADHN C[NH2+]C[C@@H](C)NC(=O)c1ccc(OC)cc1[O-] ZINC000393839432 487585280 /nfs/dbraw/zinc/58/52/80/487585280.db2.gz RFGKDBBNFPWMRP-MRVPVSSYSA-N 0 3 238.287 0.739 20 0 BCADHN CC(C)OC[C@@H](O)CN1CC([C@H]2CCOC2)C1 ZINC000366491908 167261973 /nfs/dbraw/zinc/26/19/73/167261973.db2.gz LNYRXWMYMMKVBQ-AAEUAGOBSA-N 0 3 243.347 0.741 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCC[C@H](CO)C1 ZINC000070199415 167261997 /nfs/dbraw/zinc/26/19/97/167261997.db2.gz GRIIGSXZEPNDQO-RYUDHWBXSA-N 0 3 231.336 0.477 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCC(CO)CC1 ZINC000070199442 167262701 /nfs/dbraw/zinc/26/27/01/167262701.db2.gz DTKOGHLAPJGIQF-LBPRGKRZSA-N 0 3 231.336 0.477 20 0 BCADHN CC(C)OCC(=O)N1CCNCC1(C)C ZINC000162580726 487590211 /nfs/dbraw/zinc/59/02/11/487590211.db2.gz IMAHDFUHBHSNJR-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN CCNC(=O)c1ccc(NCCN(C)C)nn1 ZINC000095008963 322914453 /nfs/dbraw/zinc/91/44/53/322914453.db2.gz MYFJGMVYVXSWEG-UHFFFAOYSA-N 0 3 237.307 0.200 20 0 BCADHN CC(C)OC[C@H](O)CN1CCN(C)[C@H](C)[C@@H]1C ZINC000356977289 167269230 /nfs/dbraw/zinc/26/92/30/167269230.db2.gz MFWWHKSNAHSBHR-FRRDWIJNSA-N 0 3 244.379 0.797 20 0 BCADHN CNCC(=O)NCC1(CO)CCCCC1 ZINC000162587301 487591756 /nfs/dbraw/zinc/59/17/56/487591756.db2.gz FGEVXRGZRBTUQU-UHFFFAOYSA-N 0 3 214.309 0.265 20 0 BCADHN C[C@H](CO)CN1CCCC[C@]1(C)C(N)=O ZINC000680433491 487592977 /nfs/dbraw/zinc/59/29/77/487592977.db2.gz MVVKGNVEAZQAHC-GXSJLCMTSA-N 0 3 214.309 0.345 20 0 BCADHN CC(=O)C1(C(=O)NC[C@H]2C[C@@H](N(C)C)C2)CC1 ZINC000655243145 487599030 /nfs/dbraw/zinc/59/90/30/487599030.db2.gz QOBCXSAQPGLWNI-PHIMTYICSA-N 0 3 238.331 0.812 20 0 BCADHN CN(C(=O)Cc1cc[nH]n1)[C@H]1CCN(C2CC2)C1 ZINC000530819124 487600642 /nfs/dbraw/zinc/60/06/42/487600642.db2.gz QKGRERRATISXOC-LBPRGKRZSA-N 0 3 248.330 0.647 20 0 BCADHN CN(C(=O)Cc1ccn[nH]1)[C@H]1CCN(C2CC2)C1 ZINC000530819124 487600646 /nfs/dbraw/zinc/60/06/46/487600646.db2.gz QKGRERRATISXOC-LBPRGKRZSA-N 0 3 248.330 0.647 20 0 BCADHN Cc1nc(CNC(=O)C2(N)CCCC2)no1 ZINC000225486516 487602103 /nfs/dbraw/zinc/60/21/03/487602103.db2.gz IEWSVCJSJWHYSS-UHFFFAOYSA-N 0 3 224.264 0.266 20 0 BCADHN C([C@H]1CNCCO1)N1CCN(C2CCC2)CC1 ZINC000383317234 487602754 /nfs/dbraw/zinc/60/27/54/487602754.db2.gz OJFYQVUJPNHXTN-CYBMUJFWSA-N 0 3 239.363 0.145 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2ccnc(C)n2)C1 ZINC000674824493 487603075 /nfs/dbraw/zinc/60/30/75/487603075.db2.gz VLILUVRPPKFABU-BXKDBHETSA-N 0 3 248.330 0.855 20 0 BCADHN CCn1cc(CNCCc2nncn2CC)cn1 ZINC000674717051 487608467 /nfs/dbraw/zinc/60/84/67/487608467.db2.gz BGQJDKISDYQWND-UHFFFAOYSA-N 0 3 248.334 0.847 20 0 BCADHN CN1CCC[C@H]1CNC(=O)CCCCO ZINC000225944596 487609233 /nfs/dbraw/zinc/60/92/33/487609233.db2.gz QLAKBORVOFOQOL-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN Cc1nnsc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000662325461 409639217 /nfs/dbraw/zinc/63/92/17/409639217.db2.gz GSWWAEZJMIEESN-HTQZYQBOSA-N 0 3 230.312 0.718 20 0 BCADHN CC(=O)CCC(=O)NC[C@H]1C[C@@H](N(C)C)C1 ZINC000655246765 409712227 /nfs/dbraw/zinc/71/22/27/409712227.db2.gz RNKIGEYOMUQNTN-PHIMTYICSA-N 0 3 226.320 0.812 20 0 BCADHN Cn1cnc(CN2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC000660722112 409648499 /nfs/dbraw/zinc/64/84/99/409648499.db2.gz FPEKMEGVCMGGDU-PWSUYJOCSA-N 0 3 220.320 0.556 20 0 BCADHN CC[C@@H](NC)C(=O)N1CCCC[C@H]1C(=O)NC ZINC000662489481 409733248 /nfs/dbraw/zinc/73/32/48/409733248.db2.gz RRMDYAXIMRDPDM-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)[C@@H](O)CN[C@H](CO)c1ccnn1C ZINC000660779742 409738148 /nfs/dbraw/zinc/73/81/48/409738148.db2.gz VSFNHQZATIBHFT-KOLCDFICSA-N 0 3 227.308 0.060 20 0 BCADHN NC(=O)C[C@@H]1COCCN1CCC1CCC1 ZINC000660757083 409714302 /nfs/dbraw/zinc/71/43/02/409714302.db2.gz IAHDFBTZDNHAEC-LLVKDONJSA-N 0 3 226.320 0.753 20 0 BCADHN N[C@H](CC(F)F)C(=O)NCCc1ccoc1 ZINC000662664709 409821742 /nfs/dbraw/zinc/82/17/42/409821742.db2.gz ZWAYSUAGWZLZOJ-MRVPVSSYSA-N 0 3 232.230 0.921 20 0 BCADHN Cc1[nH]ccc1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655296380 409833252 /nfs/dbraw/zinc/83/32/52/409833252.db2.gz MMIWCHWJGLWEMP-WDEREUQCSA-N 0 3 249.314 0.214 20 0 BCADHN CC(C)[C@H]1CN(C(=O)CC(F)(F)CN)CCN1 ZINC000653132930 409849169 /nfs/dbraw/zinc/84/91/69/409849169.db2.gz MWOWFELRFQIVFC-SECBINFHSA-N 0 3 249.305 0.427 20 0 BCADHN CC[C@@H](NC)C(=O)N1CC(=O)Nc2cnccc21 ZINC000662702364 409852347 /nfs/dbraw/zinc/85/23/47/409852347.db2.gz ZRWJAHQQXZDDCF-MRVPVSSYSA-N 0 3 248.286 0.365 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N1CC[C@@H]2C[C@@H]2C1 ZINC000662702605 409852366 /nfs/dbraw/zinc/85/23/66/409852366.db2.gz BLEZULWMWHCVHM-UTUOFQBUSA-N 0 3 238.331 0.623 20 0 BCADHN CNC(=O)[C@H]1CCN(CCO[C@H]2CC2(F)F)C1 ZINC000660831152 409811591 /nfs/dbraw/zinc/81/15/91/409811591.db2.gz DGECISSTVFRJEE-IUCAKERBSA-N 0 3 248.273 0.479 20 0 BCADHN C[C@@H](NC[C@@H]1CCC(=O)N1)c1cn[nH]c1 ZINC000308801877 409905244 /nfs/dbraw/zinc/90/52/44/409905244.db2.gz MZBKYJDDQTWRHR-APPZFPTMSA-N 0 3 208.265 0.339 20 0 BCADHN C[C@H](O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655350379 409921573 /nfs/dbraw/zinc/92/15/73/409921573.db2.gz MZTYXRIGXUGDRG-DCAQKATOSA-N 0 3 226.320 0.500 20 0 BCADHN C[C@@H](C(N)=O)N1CCN(C2CCCC2)CC1 ZINC000045753871 409880322 /nfs/dbraw/zinc/88/03/22/409880322.db2.gz OEGVJIIXFIITIB-JTQLQIEISA-N 0 3 225.336 0.420 20 0 BCADHN C[C@@H](N)C(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000662760907 409886245 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NC1(C(=O)N2CC[C@]3(CC3(F)F)C2)CC1 ZINC000653275947 410563878 /nfs/dbraw/zinc/56/38/78/410563878.db2.gz RPSODISLWKNYGU-QMMMGPOBSA-N 0 3 216.231 0.735 20 0 BCADHN CCN1C[C@@H](CNCc2ccn(C)n2)CC1=O ZINC000652001522 410565609 /nfs/dbraw/zinc/56/56/09/410565609.db2.gz WPDHCTVAXUQCAE-SNVBAGLBSA-N 0 3 236.319 0.378 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)[C@H](O)C1CC1 ZINC000668830209 487617518 /nfs/dbraw/zinc/61/75/18/487617518.db2.gz WYUXSTUSJTVMAE-NWDGAFQWSA-N 0 3 240.347 0.748 20 0 BCADHN CCN1C[C@H](CNCc2ccnn2C)CC1=O ZINC000652002085 410569007 /nfs/dbraw/zinc/56/90/07/410569007.db2.gz FLEHIWBQBJASLA-JTQLQIEISA-N 0 3 236.319 0.378 20 0 BCADHN COCc1ccnc(NC(=O)C(C)(C)N)c1 ZINC000653276524 410571245 /nfs/dbraw/zinc/57/12/45/410571245.db2.gz ISJXVPXCSARFIC-UHFFFAOYSA-N 0 3 223.276 0.904 20 0 BCADHN CNCC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000653275440 410560868 /nfs/dbraw/zinc/56/08/68/410560868.db2.gz GAJRBDNKPHNVSA-QMMMGPOBSA-N 0 3 204.220 0.464 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000653275997 410562819 /nfs/dbraw/zinc/56/28/19/410562819.db2.gz TVEYKHZEXTVABB-POYBYMJQSA-N 0 3 204.220 0.591 20 0 BCADHN CCN1C[C@@H](CNCc2nccn2C)CC1=O ZINC000652000712 410562965 /nfs/dbraw/zinc/56/29/65/410562965.db2.gz BRFXOEABIIQNTL-SNVBAGLBSA-N 0 3 236.319 0.378 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@](O)(CC)C1 ZINC000337622362 169764621 /nfs/dbraw/zinc/76/46/21/169764621.db2.gz HEEFHATXVBURLQ-GFCCVEGCSA-N 0 3 228.336 0.702 20 0 BCADHN CCN(CC)CC(=O)NC[C@@](C)(O)C1CC1 ZINC000337383044 169765620 /nfs/dbraw/zinc/76/56/20/169765620.db2.gz BSDXMJVXRIEHFB-GFCCVEGCSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H]1CCN([C@@H]2CC(=O)NC2=O)CC12CCC2 ZINC000653280764 410635624 /nfs/dbraw/zinc/63/56/24/410635624.db2.gz IUCVESUCVSEWOM-NXEZZACHSA-N 0 3 236.315 0.914 20 0 BCADHN CCN(CC)CC(=O)NCCC[C@@H](C)O ZINC000337576217 169765806 /nfs/dbraw/zinc/76/58/06/169765806.db2.gz WWYMFHYKSFFJGO-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN O=C1C[C@@H](N2CC[C@H](C3CCC3)C2)C(=O)N1 ZINC000653282133 410638342 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SNMNOEXBRXUDAP-NSHDSACASA-N 0 3 227.352 0.587 20 0 BCADHN CN(C)CCc1cn(-c2ccccc2CO)nn1 ZINC000656455021 411263342 /nfs/dbraw/zinc/26/33/42/411263342.db2.gz WITUDRKTDQLQOU-UHFFFAOYSA-N 0 3 246.314 0.864 20 0 BCADHN CCS(=O)(=O)C1(CN[C@H](C)[C@H](C)OC)CC1 ZINC000658298378 411327095 /nfs/dbraw/zinc/32/70/95/411327095.db2.gz FQWWEZWZWKVUFR-ZJUUUORDSA-N 0 3 249.376 0.967 20 0 BCADHN Nc1ccc(CN2CCC(CO)CC2)cn1 ZINC000050791822 411264029 /nfs/dbraw/zinc/26/40/29/411264029.db2.gz HNQJTSWMGVTMKM-UHFFFAOYSA-N 0 3 221.304 0.868 20 0 BCADHN CC(C)C[N@H+](C)CCCNC(=O)c1c[n-]nn1 ZINC000652522405 411264378 /nfs/dbraw/zinc/26/43/78/411264378.db2.gz GWOYWRIYJYTAQW-UHFFFAOYSA-N 0 3 239.323 0.512 20 0 BCADHN CC(C)C[N@@H+](C)CCCNC(=O)c1c[n-]nn1 ZINC000652522405 411264385 /nfs/dbraw/zinc/26/43/85/411264385.db2.gz GWOYWRIYJYTAQW-UHFFFAOYSA-N 0 3 239.323 0.512 20 0 BCADHN CC(C)C[N@H+](C)CCCNC(=O)c1cnn[n-]1 ZINC000652522405 411264392 /nfs/dbraw/zinc/26/43/92/411264392.db2.gz GWOYWRIYJYTAQW-UHFFFAOYSA-N 0 3 239.323 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CCn1cc(CN[C@@H]2CN(C3CC3)C[C@H]2C)nn1 ZINC000658176170 411282950 /nfs/dbraw/zinc/28/29/50/411282950.db2.gz MHKBKQOZVAQIDG-ZWNOBZJWSA-N 0 3 249.362 0.870 20 0 BCADHN CC(C)c1nccn1C[C@H]1CNCCO1 ZINC000070649610 411283229 /nfs/dbraw/zinc/28/32/29/411283229.db2.gz WFFVFHGMAPXKOG-SNVBAGLBSA-N 0 3 209.293 0.995 20 0 BCADHN CN1CCC[C@H](NCc2cn3cccnc3n2)C1 ZINC000656487330 411284431 /nfs/dbraw/zinc/28/44/31/411284431.db2.gz ZOSSCXCKUOYVMJ-NSHDSACASA-N 0 3 245.330 0.913 20 0 BCADHN CC[C@@H](O)CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000658189840 411285688 /nfs/dbraw/zinc/28/56/88/411285688.db2.gz WDXZHIFGQRKIQH-MXWKQRLJSA-N 0 3 249.376 0.703 20 0 BCADHN C[C@@H]1C[C@H](N=c2nc[nH]n2C)CN1C1CC1 ZINC000653468741 411289084 /nfs/dbraw/zinc/28/90/84/411289084.db2.gz DTQOKEINNIKVEJ-BDAKNGLRSA-N 0 3 221.308 0.274 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC000665669671 411289219 /nfs/dbraw/zinc/28/92/19/411289219.db2.gz PGRHCMXLNJYHPH-SECBINFHSA-N 0 3 222.292 0.542 20 0 BCADHN O=S1(=O)CCC[C@H](NCCc2ccoc2)C1 ZINC000658198789 411290275 /nfs/dbraw/zinc/29/02/75/411290275.db2.gz IGWARFIKXOGWNG-NSHDSACASA-N 0 3 243.328 0.989 20 0 BCADHN CCN(C(=O)[C@H]1NCC1(C)C)c1cnn(C)c1 ZINC000655522580 411290731 /nfs/dbraw/zinc/29/07/31/411290731.db2.gz XHEQOMOWXPEXAY-SNVBAGLBSA-N 0 3 236.319 0.771 20 0 BCADHN C/C=C/C[C@@H](CO)NCc1cnn(C)c1 ZINC000185821976 411291792 /nfs/dbraw/zinc/29/17/92/411291792.db2.gz YSMDDTOKKGHYBF-UFFNRZRYSA-N 0 3 209.293 0.837 20 0 BCADHN Nc1ncc(CN[C@@H]2CNCCC2(F)F)s1 ZINC000565833872 411294834 /nfs/dbraw/zinc/29/48/34/411294834.db2.gz SFRYJPHAXSNPFH-SSDOTTSWSA-N 0 3 248.302 0.812 20 0 BCADHN CCn1ncnc1Cn1cc([C@H](N)C(C)C)nn1 ZINC000384531390 411294875 /nfs/dbraw/zinc/29/48/75/411294875.db2.gz KIQZJABLRWGIAF-LLVKDONJSA-N 0 3 249.322 0.594 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@H]1CCC[C@H](C)O1 ZINC000658216700 411296586 /nfs/dbraw/zinc/29/65/86/411296586.db2.gz AJPWBIMKNZNLLU-OUAUKWLOSA-N 0 3 249.376 0.967 20 0 BCADHN CN(Cc1cn(C)nn1)C[C@H]1CCCN1C ZINC000661744128 411302260 /nfs/dbraw/zinc/30/22/60/411302260.db2.gz PSXLGYLQQPCIRH-LLVKDONJSA-N 0 3 223.324 0.341 20 0 BCADHN CC1(C)CNCCN1C(=O)[C@@H]1CCCO1 ZINC000062570567 411305566 /nfs/dbraw/zinc/30/55/66/411305566.db2.gz VUEFKBFQNOTQPD-VIFPVBQESA-N 0 3 212.293 0.376 20 0 BCADHN Cc1noc(CN(C)C(=O)[C@@H]2CCCCN2)n1 ZINC000655527151 411307114 /nfs/dbraw/zinc/30/71/14/411307114.db2.gz JGZMTRSFTODLLZ-VIFPVBQESA-N 0 3 238.291 0.479 20 0 BCADHN Cc1noc(CN(C)C(=O)CNC2CC2)n1 ZINC000655527480 411307158 /nfs/dbraw/zinc/30/71/58/411307158.db2.gz UIWAJDLTMNMFSR-UHFFFAOYSA-N 0 3 224.264 0.088 20 0 BCADHN CCCCNC(=O)CN1CCC[C@@H]1[C@H](C)O ZINC000661771624 411309793 /nfs/dbraw/zinc/30/97/93/411309793.db2.gz DLFQBLILMOQEFY-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN OCCN1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659827995 411310042 /nfs/dbraw/zinc/31/00/42/411310042.db2.gz CYQNPPAKMPAVBC-CLLJXQQHSA-N 0 3 224.348 0.642 20 0 BCADHN C[C@H](O)[C@H]1CCCN1Cc1cnn(C)c1 ZINC000661772941 411310825 /nfs/dbraw/zinc/31/08/25/411310825.db2.gz WEQDBWJBSUHGMB-GXSJLCMTSA-N 0 3 209.293 0.765 20 0 BCADHN OCCN1CCN(CC2CC=CC2)CC1 ZINC000659828601 411311139 /nfs/dbraw/zinc/31/11/39/411311139.db2.gz HRGAERIKKUZONF-UHFFFAOYSA-N 0 3 210.321 0.563 20 0 BCADHN COC[C@H](CN1CCC[C@@H](O)C1)OC ZINC000659828879 411311159 /nfs/dbraw/zinc/31/11/59/411311159.db2.gz JDQATVVTOGNNPY-ZJUUUORDSA-N 0 3 203.282 0.105 20 0 BCADHN C[C@@H]1CCN(CCN2CCNC2=O)C[C@H](C)O1 ZINC000661853224 411320148 /nfs/dbraw/zinc/32/01/48/411320148.db2.gz PIUGAYQFJCIZIT-MNOVXSKESA-N 0 3 241.335 0.511 20 0 BCADHN CCOC[C@@H](O)Cn1cc([C@@](C)(N)CC)nn1 ZINC000384200388 411321861 /nfs/dbraw/zinc/32/18/61/411321861.db2.gz LJSHMNWILBAWBM-ONGXEEELSA-N 0 3 242.323 0.259 20 0 BCADHN Cc1cncc(CCN(C)CCOCCO)n1 ZINC000402940472 411323796 /nfs/dbraw/zinc/32/37/96/411323796.db2.gz XOIWFTIOTMHVJR-UHFFFAOYSA-N 0 3 239.319 0.268 20 0 BCADHN CCN1CCN(C[C@@]2(O)CCCOC2)C[C@@H]1C ZINC000656696643 411333469 /nfs/dbraw/zinc/33/34/69/411333469.db2.gz ISNUQJACVILAGE-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN O=C(CN1CCCCC[C@@H]1CO)NC1CC1 ZINC000124852039 411325936 /nfs/dbraw/zinc/32/59/36/411325936.db2.gz UNTWYAJBFDLNBT-LLVKDONJSA-N 0 3 226.320 0.502 20 0 BCADHN CN(C)CCc1cn(CC(F)(F)F)nn1 ZINC000656445173 411253700 /nfs/dbraw/zinc/25/37/00/411253700.db2.gz WIMBSWAEQOVDLN-UHFFFAOYSA-N 0 3 222.214 0.945 20 0 BCADHN CN(C)CCc1cn(-c2nccs2)nn1 ZINC000656440374 411257211 /nfs/dbraw/zinc/25/72/11/411257211.db2.gz SXNKTUJCIUJHEU-UHFFFAOYSA-N 0 3 223.305 0.828 20 0 BCADHN CO[C@@H](C)C(=O)NCCN1CCCCC1 ZINC000055365926 411259293 /nfs/dbraw/zinc/25/92/93/411259293.db2.gz ZOPFVNXRIMEKLZ-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN C[C@H]1CCCN(C(=O)CN2CCNCC2)[C@H]1C ZINC000050565612 411259622 /nfs/dbraw/zinc/25/96/22/411259622.db2.gz HGYXTKQOOLIPLZ-RYUDHWBXSA-N 0 3 239.363 0.539 20 0 BCADHN N[C@@H](c1cn(-c2ccncc2)nn1)[C@H]1CCCO1 ZINC000656440776 411259871 /nfs/dbraw/zinc/25/98/71/411259871.db2.gz NJRMFKHZVRSSKI-NEPJUHHUSA-N 0 3 245.286 0.841 20 0 BCADHN CCN(C(=O)C(C)(C)N)c1cnn(C)c1 ZINC000655521192 411260250 /nfs/dbraw/zinc/26/02/50/411260250.db2.gz CGZRMMIPMFUPGE-UHFFFAOYSA-N 0 3 210.281 0.510 20 0 BCADHN CN(C)CCc1cn(-c2ccc(CO)cc2)nn1 ZINC000656441313 411260578 /nfs/dbraw/zinc/26/05/78/411260578.db2.gz YOLRXFFEVUGTOV-UHFFFAOYSA-N 0 3 246.314 0.864 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)C1CC2(CC2)C1 ZINC000659322316 411349930 /nfs/dbraw/zinc/34/99/30/411349930.db2.gz ISZUFOGRSZCFOK-JTQLQIEISA-N 0 3 224.304 0.281 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@H]2COC[C@H]2C1 ZINC000662038227 411353262 /nfs/dbraw/zinc/35/32/62/411353262.db2.gz BMQFBEQSCHZMNF-SDDRHHMPSA-N 0 3 240.347 0.869 20 0 BCADHN COC1CC(CCNC(=O)C2(N)CC2)C1 ZINC000659328108 411356211 /nfs/dbraw/zinc/35/62/11/411356211.db2.gz CQSNXZDHQBDTTJ-UHFFFAOYSA-N 0 3 212.293 0.409 20 0 BCADHN CC[C@@H]1CN(C[C@@H](O)COC)[C@H](CC)CO1 ZINC000403753453 411358089 /nfs/dbraw/zinc/35/80/89/411358089.db2.gz MQVXLLXDPPBHDA-IJLUTSLNSA-N 0 3 231.336 0.883 20 0 BCADHN CCN1CC[C@@H](N2CCC[C@H](N(C)C)C2)C1=O ZINC000659874640 411358915 /nfs/dbraw/zinc/35/89/15/411358915.db2.gz SLKBNJJEFIIQEJ-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@@H](CCO)N(C)C(=O)CC1CCN(C)CC1 ZINC000652958574 411362638 /nfs/dbraw/zinc/36/26/38/411362638.db2.gz MTPRFUTZOCPCJX-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H]1CN(C(=O)CNC)[C@H](CC)CO1 ZINC000403865331 411363069 /nfs/dbraw/zinc/36/30/69/411363069.db2.gz QSKWUWPLHOIREV-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN Cc1nnc(CN(C)C(=O)[C@@H](N)C(C)C)s1 ZINC000658968912 411365293 /nfs/dbraw/zinc/36/52/93/411365293.db2.gz FUJPPKDYAKAHHD-VIFPVBQESA-N 0 3 242.348 0.788 20 0 BCADHN C[C@@H]1CN(Cc2cn[nH]c2)C[C@@]1(C)CO ZINC000662141577 411365546 /nfs/dbraw/zinc/36/55/46/411365546.db2.gz IDBFHKOQGZPIKQ-KOLCDFICSA-N 0 3 209.293 0.860 20 0 BCADHN Cn1nccc1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659008213 411365793 /nfs/dbraw/zinc/36/57/93/411365793.db2.gz QFCPTHBEDAXOJH-HTQZYQBOSA-N 0 3 241.270 0.323 20 0 BCADHN N[C@@H]1CN(C(=O)Nc2cccnn2)CC[C@H]1F ZINC000659000625 411365970 /nfs/dbraw/zinc/36/59/70/411365970.db2.gz LIMAMNUELSUTOW-HTQZYQBOSA-N 0 3 239.254 0.380 20 0 BCADHN COCC1(NC(=O)CNC2CC2)CCCC1 ZINC000659338772 411366114 /nfs/dbraw/zinc/36/61/14/411366114.db2.gz ZVZAWVKTTLGJPR-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN CNCC(=O)NC1(COC)CCCC1 ZINC000659338684 411366220 /nfs/dbraw/zinc/36/62/20/411366220.db2.gz ZEKUWIBMEKERKQ-UHFFFAOYSA-N 0 3 200.282 0.281 20 0 BCADHN N[C@@H]1CN(C(=O)Nc2cccnc2)CC[C@H]1F ZINC000658986029 411366451 /nfs/dbraw/zinc/36/64/51/411366451.db2.gz SHTXZJOVZIMXLU-NXEZZACHSA-N 0 3 238.266 0.985 20 0 BCADHN CC[C@H]1COC(C)(C)CN1C[C@H](O)COC ZINC000403947363 411368324 /nfs/dbraw/zinc/36/83/24/411368324.db2.gz KRBMJUBDTOMFOX-QWRGUYRKSA-N 0 3 231.336 0.883 20 0 BCADHN C[C@H](CCO)N(C)C(=O)C1CCN(C)CC1 ZINC000652960656 411370869 /nfs/dbraw/zinc/37/08/69/411370869.db2.gz CRPKPGHNVRKLLF-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](CO)CCF ZINC000652915059 411334112 /nfs/dbraw/zinc/33/41/12/411334112.db2.gz DEPZFRODAQWAFL-AXFHLTTASA-N 0 3 246.326 0.696 20 0 BCADHN COC[C@H](O)CN1CCOCC2(CCC2)C1 ZINC000371854119 411334495 /nfs/dbraw/zinc/33/44/95/411334495.db2.gz VOEBOVASQMYMRE-LLVKDONJSA-N 0 3 229.320 0.496 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](CO)CCF ZINC000652915946 411335346 /nfs/dbraw/zinc/33/53/46/411335346.db2.gz VTWWJJWARNHUGV-SECBINFHSA-N 0 3 220.288 0.165 20 0 BCADHN C[C@H](O)CNCc1c(C2CC2)cnn1C ZINC000656710253 411335646 /nfs/dbraw/zinc/33/56/46/411335646.db2.gz VWVXTEBEKKNKAA-QMMMGPOBSA-N 0 3 209.293 0.768 20 0 BCADHN C[C@@H](CNC[C@H]1CCC[C@@H](C)O1)S(C)(=O)=O ZINC000656710889 411336719 /nfs/dbraw/zinc/33/67/19/411336719.db2.gz NNMPOTDLUZTQQH-OUAUKWLOSA-N 0 3 249.376 0.967 20 0 BCADHN COCCN(C)CCO[C@@H]1CC1(F)F ZINC000659849389 411341355 /nfs/dbraw/zinc/34/13/55/411341355.db2.gz OFZLWDGOLIQFIA-MRVPVSSYSA-N 0 3 209.236 0.989 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](O)[C@H]1C ZINC000654165650 411345257 /nfs/dbraw/zinc/34/52/57/411345257.db2.gz LNNZMVULSDKTLM-NXEZZACHSA-N 0 3 214.309 0.310 20 0 BCADHN CC1(CN2CCC[C@H]3C(=O)NC[C@H]32)COC1 ZINC000337229318 168024883 /nfs/dbraw/zinc/02/48/83/168024883.db2.gz UXHZGXBPWGCEAJ-NXEZZACHSA-N 0 3 224.304 0.233 20 0 BCADHN CC1(CNC(=O)C[C@@H]2CNCCO2)CCC1 ZINC000226372558 168029030 /nfs/dbraw/zinc/02/90/30/168029030.db2.gz IFSVMEJSIAUQLN-SNVBAGLBSA-N 0 3 226.320 0.671 20 0 BCADHN CC1(CNC(=O)C[C@H]2CNCCO2)CCC1 ZINC000226372563 168029666 /nfs/dbraw/zinc/02/96/66/168029666.db2.gz IFSVMEJSIAUQLN-JTQLQIEISA-N 0 3 226.320 0.671 20 0 BCADHN CC1(CNC(=O)[C@]2(F)CCNC2)CCC1 ZINC000372979236 168036103 /nfs/dbraw/zinc/03/61/03/168036103.db2.gz NFCJAIIJXLGAGM-NSHDSACASA-N 0 3 214.284 0.994 20 0 BCADHN CC1(NC(=O)[C@H]2CN3CCN2CCC3)CCC1 ZINC000378304242 168060291 /nfs/dbraw/zinc/06/02/91/168060291.db2.gz IPYAMFBMMOVBEO-LLVKDONJSA-N 0 3 237.347 0.435 20 0 BCADHN CN1CC(=O)N(C[C@@H]2CCN2C(C)(C)C)C1=O ZINC000656823406 411377181 /nfs/dbraw/zinc/37/71/81/411377181.db2.gz VIDUBQZANCMUOF-VIFPVBQESA-N 0 3 239.319 0.753 20 0 BCADHN CCn1nccc1CNCC[C@]1(O)CCOC1 ZINC000404197925 411382116 /nfs/dbraw/zinc/38/21/16/411382116.db2.gz GLARPKQIONXJFC-LBPRGKRZSA-N 0 3 239.319 0.534 20 0 BCADHN CC1=CCN(CCN2CCOCC2)CC1 ZINC000336555058 168110008 /nfs/dbraw/zinc/11/00/08/168110008.db2.gz OSWWUDXBJHHNRF-UHFFFAOYSA-N 0 3 210.321 0.971 20 0 BCADHN CC1=CCN(CCN2CCNC2=O)CC1 ZINC000289625444 168111204 /nfs/dbraw/zinc/11/12/04/168111204.db2.gz BIBOGEIWKIVSHV-UHFFFAOYSA-N 0 3 209.293 0.664 20 0 BCADHN Cn1cncc1CNCC[C@@]1(O)CCOC1 ZINC000404190059 411380886 /nfs/dbraw/zinc/38/08/86/411380886.db2.gz KPGAUDZDDRTUJH-LLVKDONJSA-N 0 3 225.292 0.051 20 0 BCADHN CC1CCC(O)(CN2CCC[C@@H]2C(N)=O)CC1 ZINC000305136646 168166789 /nfs/dbraw/zinc/16/67/89/168166789.db2.gz GKIFTQWADWECDS-QWKFWESOSA-N 0 3 240.347 0.877 20 0 BCADHN CC1CCN(C(=O)C2(N)CCOCC2)CC1 ZINC000149625284 168170542 /nfs/dbraw/zinc/17/05/42/168170542.db2.gz RCBVPFBJYDNPFF-UHFFFAOYSA-N 0 3 226.320 0.753 20 0 BCADHN C[C@H](CO)[C@H](C)NCC(=O)N1CCC(C)CC1 ZINC000358791566 168172522 /nfs/dbraw/zinc/17/25/22/168172522.db2.gz OERAKMPHCDNZGS-NEPJUHHUSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CN1CCC(C)CC1 ZINC000346142575 168177025 /nfs/dbraw/zinc/17/70/25/168177025.db2.gz RTHZORBCTXHKJW-LBPRGKRZSA-N 0 3 241.379 0.785 20 0 BCADHN CC1CCN(CC(=O)N2CCNCC2)CC1 ZINC000019685372 168177298 /nfs/dbraw/zinc/17/72/98/168177298.db2.gz UOSJVXSSZVEYHG-UHFFFAOYSA-N 0 3 225.336 0.150 20 0 BCADHN C[C@H](CN(C)C)NC(=O)CN1CCC(C)CC1 ZINC000346142574 168180025 /nfs/dbraw/zinc/18/00/25/168180025.db2.gz RTHZORBCTXHKJW-GFCCVEGCSA-N 0 3 241.379 0.785 20 0 BCADHN CC(C)NCC(=O)N1CCN(C)c2ncccc21 ZINC000659288942 411388919 /nfs/dbraw/zinc/38/89/19/411388919.db2.gz VZDULDARAQHDSG-UHFFFAOYSA-N 0 3 248.330 0.862 20 0 BCADHN OC[C@H]1CCN(CCO[C@@H]2CC2(F)F)C1 ZINC000659946164 411389070 /nfs/dbraw/zinc/38/90/70/411389070.db2.gz FWIRLPGFTJUGCY-DTWKUNHWSA-N 0 3 221.247 0.725 20 0 BCADHN CC(=O)N1CC(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000655780762 411389113 /nfs/dbraw/zinc/38/91/13/411389113.db2.gz HWAQWPCKSGLBDV-DOFRTFSJSA-N 0 3 226.320 0.763 20 0 BCADHN CN(CCN1CCCCC1)C(=O)C1(C)COC1 ZINC000652990936 411389118 /nfs/dbraw/zinc/38/91/18/411389118.db2.gz JDZFARNUTPLJOX-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CN(CCN1CCCCC1)C(=O)C(C)(C)O ZINC000652991602 411389486 /nfs/dbraw/zinc/38/94/86/411389486.db2.gz JEXOVRYDYLKXGA-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN CCC(=O)CCN1CC[C@]2(CNC(=O)C2)C1 ZINC000366132278 168203170 /nfs/dbraw/zinc/20/31/70/168203170.db2.gz VSLPYSHKZGOPFR-LBPRGKRZSA-N 0 3 224.304 0.568 20 0 BCADHN CCC(=O)CCN1CCCN([C@@H](C)CO)CC1 ZINC000372847119 168203478 /nfs/dbraw/zinc/20/34/78/168203478.db2.gz MOZYSGXJVWDDGF-LBPRGKRZSA-N 0 3 242.363 0.744 20 0 BCADHN CCC(CC)(CO)C(=O)NCCN1CCCC1 ZINC000654406857 411390008 /nfs/dbraw/zinc/39/00/08/411390008.db2.gz AGIIWOYDZZNFGI-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN CCC(=O)CNC(=O)[C@H]1CN(C)C[C@@H]1C ZINC000362995977 168207763 /nfs/dbraw/zinc/20/77/63/168207763.db2.gz GMLIKIQLYXDCOK-WPRPVWTQSA-N 0 3 212.293 0.279 20 0 BCADHN CCC(=O)N1CC[C@@H](NCc2[nH]ncc2C)C1 ZINC000289561840 168223524 /nfs/dbraw/zinc/22/35/24/168223524.db2.gz RAYVDDUCKAZHTN-SNVBAGLBSA-N 0 3 236.319 0.819 20 0 BCADHN CCCc1cc(C(=O)N2CCNC[C@@H]2C)n[nH]1 ZINC000125648125 411391654 /nfs/dbraw/zinc/39/16/54/411391654.db2.gz CGZKQLIWXSKBTL-VIFPVBQESA-N 0 3 236.319 0.796 20 0 BCADHN CCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000110484722 168232019 /nfs/dbraw/zinc/23/20/19/168232019.db2.gz HGRHOWHUOADNOT-NXEZZACHSA-N 0 3 212.293 0.376 20 0 BCADHN Cc1nn(C)cc1CNCC[C@@]1(O)CCOC1 ZINC000404201064 411383268 /nfs/dbraw/zinc/38/32/68/411383268.db2.gz ILCNRPVUXFQDEL-GFCCVEGCSA-N 0 3 239.319 0.360 20 0 BCADHN CCN1OC[C@@H](N(C)CCN2CCCC2)C1=O ZINC000659923670 411383335 /nfs/dbraw/zinc/38/33/35/411383335.db2.gz VJNDXBNYZVZLLX-LLVKDONJSA-N 0 3 241.335 0.176 20 0 BCADHN C[C@@H](NCC[C@@]1(O)CCOC1)c1cnccn1 ZINC000404227277 411384558 /nfs/dbraw/zinc/38/45/58/411384558.db2.gz MGLSZPVZFCPXJQ-ZYHUDNBSSA-N 0 3 237.303 0.669 20 0 BCADHN CCn1cncc1CNCC[C@]1(O)CCOC1 ZINC000404239911 411385393 /nfs/dbraw/zinc/38/53/93/411385393.db2.gz WNPFCQBAGBCCNU-LBPRGKRZSA-N 0 3 239.319 0.534 20 0 BCADHN CC(C(=O)NC1CC2(CCC2)C1)S(C)(=O)=O ZINC000652973608 411385543 /nfs/dbraw/zinc/38/55/43/411385543.db2.gz USEDHVSHMOSNEW-QMMMGPOBSA-N 0 3 245.344 0.868 20 0 BCADHN CC(C)NCC(=O)Nc1cccn(C)c1=O ZINC000659281912 411386582 /nfs/dbraw/zinc/38/65/82/411386582.db2.gz YTYISAKNZOTFAZ-UHFFFAOYSA-N 0 3 223.276 0.322 20 0 BCADHN CC(C)=CCCN1CC[C@H](NS(C)(=O)=O)C1 ZINC000659936747 411387722 /nfs/dbraw/zinc/38/77/22/411387722.db2.gz WEFRGSGDMQPMJW-NSHDSACASA-N 0 3 246.376 0.966 20 0 BCADHN CCC(C)(C)NC(=O)COC1CNC1 ZINC000062809958 168290135 /nfs/dbraw/zinc/29/01/35/168290135.db2.gz LIJYJGZFECXJEL-UHFFFAOYSA-N 0 3 200.282 0.280 20 0 BCADHN CCC(C)(C)NC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336715932 168290497 /nfs/dbraw/zinc/29/04/97/168290497.db2.gz VPTMYVPPFJURLE-SNVBAGLBSA-N 0 3 243.351 0.391 20 0 BCADHN C[C@H]1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000654849390 411455248 /nfs/dbraw/zinc/45/52/48/411455248.db2.gz FQJCGEPKBKWVOA-SDDRHHMPSA-N 0 3 238.331 0.718 20 0 BCADHN CO[C@H](CN(CC(N)=O)C(C)C)[C@@H]1CCOC1 ZINC000659822424 411464361 /nfs/dbraw/zinc/46/43/61/411464361.db2.gz NOXBWHLWYDUCAW-GHMZBOCLSA-N 0 3 244.335 0.234 20 0 BCADHN COC[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC000654857426 411456251 /nfs/dbraw/zinc/45/62/51/411456251.db2.gz SHWYDYVTVAPCKT-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](C(=O)N1CCNC(C)(C)C1)N1CC(C)C1 ZINC000654854847 411456293 /nfs/dbraw/zinc/45/62/93/411456293.db2.gz RUONYISTOYBPHT-NSHDSACASA-N 0 3 239.363 0.537 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCC[C@@H]2COC[C@@H]21 ZINC000657304503 411456319 /nfs/dbraw/zinc/45/63/19/411456319.db2.gz LINMTDFCTKCIAK-AGIUHOORSA-N 0 3 243.347 0.883 20 0 BCADHN CCN(C)C(=O)CCN1CCC[C@@H]2COC[C@@H]21 ZINC000657303290 411456756 /nfs/dbraw/zinc/45/67/56/411456756.db2.gz DEDBMRYPIBJPBW-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N(C)C ZINC000638197869 411457145 /nfs/dbraw/zinc/45/71/45/411457145.db2.gz PPOUUKQZNXYOIC-MXWKQRLJSA-N 0 3 225.336 0.289 20 0 BCADHN C[C@@H](CNC(=O)Cc1cccc(N)c1)N(C)C ZINC000052923338 411457889 /nfs/dbraw/zinc/45/78/89/411457889.db2.gz HQQZPJAYIXGNEF-JTQLQIEISA-N 0 3 235.331 0.878 20 0 BCADHN c1cc(-c2ccc(N3CCNCC3)nc2)n[nH]1 ZINC000118242634 411392327 /nfs/dbraw/zinc/39/23/27/411392327.db2.gz XKVVRFUBVFKNLE-UHFFFAOYSA-N 0 3 229.287 0.881 20 0 BCADHN C[C@H](CO)N(C)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000660496217 411460642 /nfs/dbraw/zinc/46/06/42/411460642.db2.gz NUTDXUZDRNQXKI-WOPDTQHZSA-N 0 3 230.352 0.408 20 0 BCADHN CO[C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000659314297 411393276 /nfs/dbraw/zinc/39/32/76/411393276.db2.gz SBBZSUPUBZBXJY-VPOLOUISSA-N 0 3 244.310 0.618 20 0 BCADHN NC1(C(=O)N2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000659334729 411396524 /nfs/dbraw/zinc/39/65/24/411396524.db2.gz PRFGMNPVKHHRDS-IUCAKERBSA-N 0 3 210.277 0.258 20 0 BCADHN CC(C)NCC(=O)NCc1cccc(N)c1 ZINC000659333671 411396542 /nfs/dbraw/zinc/39/65/42/411396542.db2.gz VZQVDLWNDBXAFB-UHFFFAOYSA-N 0 3 221.304 0.883 20 0 BCADHN Cn1ncc(C2CCC2)c1CNC(=O)C1(N)CC1 ZINC000659381398 411397122 /nfs/dbraw/zinc/39/71/22/411397122.db2.gz IATTUFLJJVEIQU-UHFFFAOYSA-N 0 3 248.330 0.795 20 0 BCADHN O=C(CCOC1CNC1)N[C@]12C[C@H]1CCC2 ZINC000659338067 411397511 /nfs/dbraw/zinc/39/75/11/411397511.db2.gz UCEFRQCYJADUBF-BXKDBHETSA-N 0 3 224.304 0.424 20 0 BCADHN COCC1(N(C)C(=O)CNC2CC2)CC1 ZINC000659339351 411398246 /nfs/dbraw/zinc/39/82/46/411398246.db2.gz WSHGABCNGSGHEC-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@@]12COC[C@]1(C)CN(C(=O)C1(N)CC1)C2 ZINC000659342424 411399839 /nfs/dbraw/zinc/39/98/39/411399839.db2.gz JEJZFUUAJXTADX-PHIMTYICSA-N 0 3 224.304 0.363 20 0 BCADHN O=C(CNC1CC1)NCCO[C@@H]1CC1(F)F ZINC000659346445 411400653 /nfs/dbraw/zinc/40/06/53/411400653.db2.gz ZIYFDJBCZSLSTR-MRVPVSSYSA-N 0 3 234.246 0.279 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](C)c1cscn1 ZINC000659343871 411401077 /nfs/dbraw/zinc/40/10/77/411401077.db2.gz ZJBUBPJDPQNBDE-RQJHMYQMSA-N 0 3 213.306 0.928 20 0 BCADHN COCCNCC(=O)NCCC(C)(C)F ZINC000659359930 411401882 /nfs/dbraw/zinc/40/18/82/411401882.db2.gz XGEGVFFOQVSUPC-UHFFFAOYSA-N 0 3 220.288 0.477 20 0 BCADHN Cc1c[nH]c(NC(=O)C2CCN(C)CC2)n1 ZINC000654899057 411461391 /nfs/dbraw/zinc/46/13/91/411461391.db2.gz WWXFENDEEOHISR-UHFFFAOYSA-N 0 3 222.292 0.998 20 0 BCADHN C[C@@H]1CCC[C@H](CNC(=O)CNC2CC2)O1 ZINC000659361651 411403130 /nfs/dbraw/zinc/40/31/30/411403130.db2.gz LMDTXZMVPXTLJX-MWLCHTKSSA-N 0 3 226.320 0.812 20 0 BCADHN COc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)o1 ZINC000659383660 411403193 /nfs/dbraw/zinc/40/31/93/411403193.db2.gz INAJRCJNLFFEIJ-HTQZYQBOSA-N 0 3 242.250 0.800 20 0 BCADHN CC[C@@](C)(CO)C(=O)NC[C@@H](C)N(C)C ZINC000654479600 411403365 /nfs/dbraw/zinc/40/33/65/411403365.db2.gz BFABMVNCAPLRLN-KOLCDFICSA-N 0 3 216.325 0.461 20 0 BCADHN CNCC(=O)NCC[C@@]1(C)CC1(F)F ZINC000659361850 411403379 /nfs/dbraw/zinc/40/33/79/411403379.db2.gz VHRYRWXDSRBXSB-QMMMGPOBSA-N 0 3 206.236 0.757 20 0 BCADHN CNCC(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000659374493 411405141 /nfs/dbraw/zinc/40/51/41/411405141.db2.gz LWZDNLYKPFLSJA-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659371592 411405200 /nfs/dbraw/zinc/40/52/00/411405200.db2.gz XFSFKEYVSHSFPC-CABZTGNLSA-N 0 3 249.314 0.633 20 0 BCADHN CO[C@@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)C1CCC1 ZINC000659382587 411408123 /nfs/dbraw/zinc/40/81/23/411408123.db2.gz BNGLWKQIHOGMOB-GMTAPVOTSA-N 0 3 244.310 0.699 20 0 BCADHN COCC1(CC(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659387623 411409736 /nfs/dbraw/zinc/40/97/36/411409736.db2.gz YPPSFVJPVBCSQZ-NXEZZACHSA-N 0 3 244.310 0.701 20 0 BCADHN C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)O1 ZINC000659388886 411409903 /nfs/dbraw/zinc/40/99/03/411409903.db2.gz NNUPEYBEEOEIHQ-LXUNUROVSA-N 0 3 244.310 0.698 20 0 BCADHN C[C@H]1C[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)CCO1 ZINC000659389755 411410402 /nfs/dbraw/zinc/41/04/02/411410402.db2.gz XWJLNKKEPQNGLJ-UKKRHICBSA-N 0 3 244.310 0.699 20 0 BCADHN CC(C)N1CC[C@@H](N(C)C(=O)[C@H](C)N(C)C)C1 ZINC000654548429 411411082 /nfs/dbraw/zinc/41/10/82/411411082.db2.gz QNDJXWKHEWYULO-NWDGAFQWSA-N 0 3 241.379 0.878 20 0 BCADHN N[C@@H]1CN(C(=O)CC(F)(F)F)CC[C@H]1F ZINC000659390842 411411094 /nfs/dbraw/zinc/41/10/94/411411094.db2.gz JDWPFCNVGFMSMX-PHDIDXHHSA-N 0 3 228.189 0.837 20 0 BCADHN C[C@@H](OCC1CC1)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659391889 411411237 /nfs/dbraw/zinc/41/12/37/411411237.db2.gz LKAPMQXUJJUBKY-FBIMIBRVSA-N 0 3 244.310 0.699 20 0 BCADHN Cc1noc(C)c1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659391452 411411522 /nfs/dbraw/zinc/41/15/22/411411522.db2.gz WCULZXZGJVBKLD-RKDXNWHRSA-N 0 3 241.266 0.803 20 0 BCADHN N[C@@H]1CN(C(=O)c2ccncc2F)CC[C@H]1F ZINC000659389897 411411725 /nfs/dbraw/zinc/41/17/25/411411725.db2.gz UNFMHVNRLRYCQU-PSASIEDQSA-N 0 3 241.241 0.732 20 0 BCADHN COC[C@@H](CN1CC[C@H](n2cncn2)C1)OC ZINC000660325411 411413120 /nfs/dbraw/zinc/41/31/20/411413120.db2.gz WVZPLULPZKSKCW-WDEREUQCSA-N 0 3 240.307 0.186 20 0 BCADHN COC[C@H](CN1CC[C@@H](n2cncn2)C1)OC ZINC000660325408 411413770 /nfs/dbraw/zinc/41/37/70/411413770.db2.gz WVZPLULPZKSKCW-MNOVXSKESA-N 0 3 240.307 0.186 20 0 BCADHN COCC1(CNC(=O)NC[C@H](C)N(C)C)CC1 ZINC000654583236 411414857 /nfs/dbraw/zinc/41/48/57/411414857.db2.gz LCCUCZWYWSDAEV-JTQLQIEISA-N 0 3 243.351 0.662 20 0 BCADHN COCC[C@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659447961 411416443 /nfs/dbraw/zinc/41/64/43/411416443.db2.gz ORBGACSVLZBLGS-IVZWLZJFSA-N 0 3 247.314 0.492 20 0 BCADHN CCN(C)CCNC(=O)Cc1cccnc1 ZINC000265552271 411416681 /nfs/dbraw/zinc/41/66/81/411416681.db2.gz JTHBVMYFPIXTHV-UHFFFAOYSA-N 0 3 221.304 0.692 20 0 BCADHN COC(C)(C)CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659461957 411417296 /nfs/dbraw/zinc/41/72/96/411417296.db2.gz PQVSMGVGHUXNQF-RKDXNWHRSA-N 0 3 247.314 0.492 20 0 BCADHN CC1CC(NC(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000659463481 411418161 /nfs/dbraw/zinc/41/81/61/411418161.db2.gz UNVJPRKBMAGNAC-YDYPAMBWSA-N 0 3 229.299 0.866 20 0 BCADHN CC1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659463514 411418232 /nfs/dbraw/zinc/41/82/32/411418232.db2.gz VTNFZARCOODFKO-RKDXNWHRSA-N 0 3 229.299 0.867 20 0 BCADHN CC1(OCC(=O)N2CCCC(F)(F)C2)CNC1 ZINC000405124952 411418548 /nfs/dbraw/zinc/41/85/48/411418548.db2.gz YIMVQNJRSJSSNM-UHFFFAOYSA-N 0 3 248.273 0.623 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659491496 411421245 /nfs/dbraw/zinc/42/12/45/411421245.db2.gz VVXGUXDWOVDXCN-ZYUZMQFOSA-N 0 3 229.299 0.866 20 0 BCADHN COCCNCCNC(=O)N[C@@]1(C)CC1(C)C ZINC000659527184 411421785 /nfs/dbraw/zinc/42/17/85/411421785.db2.gz JXOZLGDXJYXQIG-LBPRGKRZSA-N 0 3 243.351 0.710 20 0 BCADHN O[C@@H]1C[C@H]2CN(Cc3cscn3)CCN2C1 ZINC000405255813 411422530 /nfs/dbraw/zinc/42/25/30/411422530.db2.gz MFUVBQMJHJFVQM-WDEREUQCSA-N 0 3 239.344 0.394 20 0 BCADHN COCC[C@H](C)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405274736 411422978 /nfs/dbraw/zinc/42/29/78/411422978.db2.gz WNKCAORVQSQBTD-SDDRHHMPSA-N 0 3 228.336 0.162 20 0 BCADHN Cc1c[nH]c(CNCCc2cnn(C)c2)n1 ZINC000657318490 411462700 /nfs/dbraw/zinc/46/27/00/411462700.db2.gz PJPCUEREIDBFCG-UHFFFAOYSA-N 0 3 219.292 0.784 20 0 BCADHN CCN1CCN(CCCC(=O)N(C)C)C[C@H]1C ZINC000653589446 411425853 /nfs/dbraw/zinc/42/58/53/411425853.db2.gz MBZDVDASWJJMMI-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN N[C@@H](CNC(=O)NC/C=C\CO)c1ccccc1 ZINC000659520081 411426936 /nfs/dbraw/zinc/42/69/36/411426936.db2.gz ONMUGICHKCITKO-RXNFCKPNSA-N 0 3 249.314 0.534 20 0 BCADHN N[C@H](CNC(=O)NC/C=C/CO)c1ccccc1 ZINC000659520082 411427180 /nfs/dbraw/zinc/42/71/80/411427180.db2.gz ONMUGICHKCITKO-ZYOFXKKJSA-N 0 3 249.314 0.534 20 0 BCADHN N[C@H](CNC(=O)NC/C=C\CO)c1ccccc1 ZINC000659520080 411427575 /nfs/dbraw/zinc/42/75/75/411427575.db2.gz ONMUGICHKCITKO-QMAVJUDZSA-N 0 3 249.314 0.534 20 0 BCADHN CC[C@](C)(CO)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000654701407 411433035 /nfs/dbraw/zinc/43/30/35/411433035.db2.gz YYLVBCBZJCNDCH-ZWNOBZJWSA-N 0 3 242.363 0.994 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCC(F)(F)F ZINC000306947282 411463513 /nfs/dbraw/zinc/46/35/13/411463513.db2.gz PBPSDHZDVVWJIS-YFKPBYRVSA-N 0 3 210.199 0.663 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCN(C)C[C@@H]2C)C1 ZINC000654764286 411440683 /nfs/dbraw/zinc/44/06/83/411440683.db2.gz YKOBXDZOQMNHDA-NEPJUHHUSA-N 0 3 239.363 0.491 20 0 BCADHN C[C@H](O)CNCc1ccnn1CC1CC1 ZINC000657283678 411441767 /nfs/dbraw/zinc/44/17/67/411441767.db2.gz GFFYUWGHAZXNON-VIFPVBQESA-N 0 3 209.293 0.764 20 0 BCADHN COc1ccc(CNC[C@@H]2CCCNC2=O)cn1 ZINC000657284993 411442947 /nfs/dbraw/zinc/44/29/47/411442947.db2.gz YGDOZIHZOIMJOK-NSHDSACASA-N 0 3 249.314 0.706 20 0 BCADHN C[C@@H](O)CNCc1ccnn1-c1ccncc1 ZINC000657285156 411443372 /nfs/dbraw/zinc/44/33/72/411443372.db2.gz XAMJYXOSOHBZNL-SNVBAGLBSA-N 0 3 232.287 0.738 20 0 BCADHN Cn1ncc(C2CC2)c1CNCCCO ZINC000657286688 411446173 /nfs/dbraw/zinc/44/61/73/411446173.db2.gz RRBWKTJVSXEXOA-UHFFFAOYSA-N 0 3 209.293 0.770 20 0 BCADHN CC[C@@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000637936398 411446816 /nfs/dbraw/zinc/44/68/16/411446816.db2.gz XZPGVXMBLGDHCK-OUAUKWLOSA-N 0 3 226.320 0.751 20 0 BCADHN CCN[C@H](C)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000637929977 411447476 /nfs/dbraw/zinc/44/74/76/411447476.db2.gz RSMLUPSEWBUZRS-IVZWLZJFSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H](O)CCNC(=O)CN1CC[C@@H](C)C1 ZINC000654809916 411448031 /nfs/dbraw/zinc/44/80/31/411448031.db2.gz UUAAKTLSYYAXDI-ZJUUUORDSA-N 0 3 214.309 0.215 20 0 BCADHN CCN[C@H](C)C(=O)NCCC(=O)N[C@@H](C)CC ZINC000637936998 411448386 /nfs/dbraw/zinc/44/83/86/411448386.db2.gz QQDKLJFTTKNYIK-VHSXEESVSA-N 0 3 243.351 0.405 20 0 BCADHN C[C@@H]1C[C@H](N2CCc3n[nH]nc3C2)CCO1 ZINC000660387847 411449478 /nfs/dbraw/zinc/44/94/78/411449478.db2.gz NEAALOZLRJBSPW-RKDXNWHRSA-N 0 3 222.292 0.730 20 0 BCADHN CC[C@@H]1C[C@@H](NCC(=O)N(C)C)CO1 ZINC000657291679 411452747 /nfs/dbraw/zinc/45/27/47/411452747.db2.gz BCJMEBURIVXGNI-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1CO[C@@H](CC)C1 ZINC000657292470 411452931 /nfs/dbraw/zinc/45/29/31/411452931.db2.gz KXEKKLOHNNECOS-AEJSXWLSSA-N 0 3 214.309 0.668 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1CO[C@@H](CC)C1 ZINC000657292472 411453277 /nfs/dbraw/zinc/45/32/77/411453277.db2.gz KXEKKLOHNNECOS-GUBZILKMSA-N 0 3 214.309 0.668 20 0 BCADHN CC[C@@H]1C[C@H](NCC(=O)N(C)C)CO1 ZINC000657291675 411453709 /nfs/dbraw/zinc/45/37/09/411453709.db2.gz BCJMEBURIVXGNI-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CC1(C)C[C@H](N2CC[C@@H](CO)[C@H](O)C2)CO1 ZINC000660394563 411454050 /nfs/dbraw/zinc/45/40/50/411454050.db2.gz BOLJVGVMKPRDLH-GARJFASQSA-N 0 3 229.320 0.229 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCc2ccon2)C1 ZINC000654952832 411467358 /nfs/dbraw/zinc/46/73/58/411467358.db2.gz ZFJBIZJZUYUVBI-SNVBAGLBSA-N 0 3 237.303 0.675 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H]2CC(=O)N(C)C2)CO1 ZINC000657341520 411468290 /nfs/dbraw/zinc/46/82/90/411468290.db2.gz CUKWLKWFXIFFLX-OPRDCNLKSA-N 0 3 212.293 0.374 20 0 BCADHN CCN(CCCO)C(=O)CN1CCC(C)(C)C1 ZINC000654965150 411468552 /nfs/dbraw/zinc/46/85/52/411468552.db2.gz SVECLBWOKXAIKQ-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCS[C@@H]1C ZINC000307221488 411468716 /nfs/dbraw/zinc/46/87/16/411468716.db2.gz IWECANGGWAIKBL-GJMOJQLCSA-N 0 3 202.323 0.734 20 0 BCADHN CNC(=O)CCNCc1c(C2CC2)cnn1C ZINC000657331356 411468734 /nfs/dbraw/zinc/46/87/34/411468734.db2.gz ZOGVCRWVJHUGID-UHFFFAOYSA-N 0 3 236.319 0.523 20 0 BCADHN CN1CC(=O)N(CCN2C3CCC2CC3)C1=O ZINC000659835207 411469731 /nfs/dbraw/zinc/46/97/31/411469731.db2.gz CZRMBSGEIBJXFY-UHFFFAOYSA-N 0 3 237.303 0.507 20 0 BCADHN CC(C)[C@H](O)CN(C)CCn1cccn1 ZINC000292707028 411470550 /nfs/dbraw/zinc/47/05/50/411470550.db2.gz SYTZSUWFVJUHJL-LLVKDONJSA-N 0 3 211.309 0.832 20 0 BCADHN CC[C@@H]1CO[C@H](C)CN1CCc1c[nH]nn1 ZINC000659840490 411472497 /nfs/dbraw/zinc/47/24/97/411472497.db2.gz 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C[C@@H](CO)[C@H](C)NCc1cnn2c1CCC2 ZINC000657371783 411484669 /nfs/dbraw/zinc/48/46/69/411484669.db2.gz MYONXPXHSAIDOQ-UWVGGRQHSA-N 0 3 223.320 0.936 20 0 BCADHN C[C@@H](CO)NCc1ccnn1CC1CC1 ZINC000657377738 411485874 /nfs/dbraw/zinc/48/58/74/411485874.db2.gz FYDZMRSPNXIEPS-VIFPVBQESA-N 0 3 209.293 0.764 20 0 BCADHN CCc1nocc1CNC1(CO)CCOCC1 ZINC000659875932 411487129 /nfs/dbraw/zinc/48/71/29/411487129.db2.gz SKHUIEINCCCQOV-UHFFFAOYSA-N 0 3 240.303 0.868 20 0 BCADHN CN(CCN1CCOCC1)[C@H]1COC(C)(C)C1 ZINC000659876681 411487488 /nfs/dbraw/zinc/48/74/88/411487488.db2.gz LGUSRVMVHIEGEO-GFCCVEGCSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@H](CCO)CNCc1cnn2c1CCC2 ZINC000657383726 411489378 /nfs/dbraw/zinc/48/93/78/411489378.db2.gz NQBZVCOAXDPKJG-JTQLQIEISA-N 0 3 223.320 0.937 20 0 BCADHN CC[C@H]1C[C@H](NCC(C)(C)S(C)(=O)=O)CO1 ZINC000657386534 411489472 /nfs/dbraw/zinc/48/94/72/411489472.db2.gz HSRCMDJUCRXSIS-UWVGGRQHSA-N 0 3 249.376 0.967 20 0 BCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc[nH]c1 ZINC000655073526 411489732 /nfs/dbraw/zinc/48/97/32/411489732.db2.gz VXCNKSBEBYWVNH-CYBMUJFWSA-N 0 3 249.314 0.201 20 0 BCADHN CCc1ncc(CNC[C@@H]2CNCCO2)s1 ZINC000415094360 411491251 /nfs/dbraw/zinc/49/12/51/411491251.db2.gz JVOZUDANJHOXRB-VIFPVBQESA-N 0 3 241.360 0.784 20 0 BCADHN COCCN(CCC1CCC1)[C@@H](C)C(N)=O ZINC000659903336 411492324 /nfs/dbraw/zinc/49/23/24/411492324.db2.gz GBIFNWFQWFRQHO-JTQLQIEISA-N 0 3 228.336 0.999 20 0 BCADHN CCN1CC[C@@H](N(C)C[C@@H]2CCCOC2)C1=O ZINC000659908062 411493882 /nfs/dbraw/zinc/49/38/82/411493882.db2.gz GGPMBMGMUIRMBS-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1(F)F ZINC000655095742 411494311 /nfs/dbraw/zinc/49/43/11/411494311.db2.gz RPTUYHYECQFESJ-XGEHTFHBSA-N 0 3 248.273 0.021 20 0 BCADHN CCN1CCC(NC(=O)c2ccnnc2)CC1 ZINC000129473968 169954257 /nfs/dbraw/zinc/95/42/57/169954257.db2.gz LSDDBZCTAHIVPE-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN C[C@H]1CCN(CC(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)C1 ZINC000655105324 411496064 /nfs/dbraw/zinc/49/60/64/411496064.db2.gz OJWJRGQCULVXJN-NNYUYHANSA-N 0 3 238.331 0.025 20 0 BCADHN CC[C@@H]1C[C@@H](NC[C@H]2CCCS2(=O)=O)CO1 ZINC000657400740 411496318 /nfs/dbraw/zinc/49/63/18/411496318.db2.gz VHLAKUBKQUWTJR-GMTAPVOTSA-N 0 3 247.360 0.721 20 0 BCADHN CC[C@@H]1C[C@@H](NC[C@@H]2CCCS2(=O)=O)CO1 ZINC000657400742 411496656 /nfs/dbraw/zinc/49/66/56/411496656.db2.gz VHLAKUBKQUWTJR-MXWKQRLJSA-N 0 3 247.360 0.721 20 0 BCADHN OCCCN(CCO)CCO[C@H]1CC1(F)F ZINC000659915075 411497085 /nfs/dbraw/zinc/49/70/85/411497085.db2.gz PHARVTDWINOALN-VIFPVBQESA-N 0 3 239.262 0.087 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CC3(CC3)C2)C1 ZINC000655119938 411498181 /nfs/dbraw/zinc/49/81/81/411498181.db2.gz CZQGSPQFAOSUSN-JTQLQIEISA-N 0 3 208.305 0.951 20 0 BCADHN CN(CCN1CCCC1)Cc1cn(C)cn1 ZINC000659923323 411499050 /nfs/dbraw/zinc/49/90/50/411499050.db2.gz QLGQOJGBBFPAQZ-UHFFFAOYSA-N 0 3 222.336 0.948 20 0 BCADHN CCN1CC[C@@H](N(C)CCN2CCCC2)C1=O ZINC000659922484 411499523 /nfs/dbraw/zinc/49/95/23/411499523.db2.gz BVXDGDKBSWFJSB-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN CCCn1nccc1CNCC1(CO)COC1 ZINC000657413684 411500060 /nfs/dbraw/zinc/50/00/60/411500060.db2.gz YNDPAGPIMRYMMK-UHFFFAOYSA-N 0 3 239.319 0.392 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)[C@H](O)C(C)C ZINC000352710984 169960974 /nfs/dbraw/zinc/96/09/74/169960974.db2.gz LSOOBQWBXOFTQO-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)C[C@@H]1COCCN1C[C@H]1CNC(=O)C1 ZINC000659926643 411501077 /nfs/dbraw/zinc/50/10/77/411501077.db2.gz BNXIKNDNIDGCEI-VXGBXAGGSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@H](NC(=O)N[C@H]1CCCN(C)C1)[C@H](C)O ZINC000655132326 411501548 /nfs/dbraw/zinc/50/15/48/411501548.db2.gz IAGBMFHHEIAFIK-DCAQKATOSA-N 0 3 243.351 0.539 20 0 BCADHN CS(=O)(=O)N[C@H]1CCN(CCC2CCC2)C1 ZINC000659935498 411502802 /nfs/dbraw/zinc/50/28/02/411502802.db2.gz QKAQVPPHAVOCFB-NSHDSACASA-N 0 3 246.376 0.800 20 0 BCADHN C[C@@H]1CSCCN1CCc1cn[nH]n1 ZINC000659944980 411506287 /nfs/dbraw/zinc/50/62/87/411506287.db2.gz QRCHYXFRNIUSFO-MRVPVSSYSA-N 0 3 212.322 0.785 20 0 BCADHN C[C@@H]1CSCCN1CCc1c[nH]nn1 ZINC000659944980 411506290 /nfs/dbraw/zinc/50/62/90/411506290.db2.gz QRCHYXFRNIUSFO-MRVPVSSYSA-N 0 3 212.322 0.785 20 0 BCADHN Cn1nnc2c1CC[C@@H](NCC1(F)CC1)C2 ZINC000655840618 411534544 /nfs/dbraw/zinc/53/45/44/411534544.db2.gz FLOXNFCANGUYMF-MRVPVSSYSA-N 0 3 224.283 0.764 20 0 BCADHN CC(C)(F)CNC(=O)C(N)C(F)(F)F ZINC000638812802 411508673 /nfs/dbraw/zinc/50/86/73/411508673.db2.gz LHVOFZIBHZUVCA-SCSAIBSYSA-N 0 3 216.178 0.740 20 0 BCADHN C[C@@H](CCO)N(C)C(=O)CN1CC[C@H](C)C1 ZINC000655166669 411509378 /nfs/dbraw/zinc/50/93/78/411509378.db2.gz HKDODWXSWZFTKK-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN COC[C@@H](CN(C)CC[C@@H](C)O)OC ZINC000659955818 411511125 /nfs/dbraw/zinc/51/11/25/411511125.db2.gz NUXJKYYZMANORH-NXEZZACHSA-N 0 3 205.298 0.351 20 0 BCADHN OC[C@@H](CC(F)F)NCc1cnn2c1CCC2 ZINC000657449403 411511768 /nfs/dbraw/zinc/51/17/68/411511768.db2.gz XFSGEGOJYMRAIX-SECBINFHSA-N 0 3 245.273 0.935 20 0 BCADHN Nc1c(F)cccc1CNCCc1nnc[nH]1 ZINC000638872957 411512038 /nfs/dbraw/zinc/51/20/38/411512038.db2.gz BUQPPGBDMIJOCV-UHFFFAOYSA-N 0 3 235.266 0.858 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CCS[C@@H]1C ZINC000307362437 411513087 /nfs/dbraw/zinc/51/30/87/411513087.db2.gz IWECANGGWAIKBL-BWZBUEFSSA-N 0 3 202.323 0.734 20 0 BCADHN OC[C@@H](O)CNCc1cc2ccncc2s1 ZINC000657454434 411514764 /nfs/dbraw/zinc/51/47/64/411514764.db2.gz KVWBADYJNZSHCQ-VIFPVBQESA-N 0 3 238.312 0.739 20 0 BCADHN CCN(CCCO)[C@@H]1CCN(CC)C1=O ZINC000659973715 411515056 /nfs/dbraw/zinc/51/50/56/411515056.db2.gz SMEVZOBWHSSFDJ-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN Cc1ccc2cc(CNC[C@H](O)CO)[nH]c2c1 ZINC000657454032 411515122 /nfs/dbraw/zinc/51/51/22/411515122.db2.gz GDSLZGARRHRMMF-LBPRGKRZSA-N 0 3 234.299 0.919 20 0 BCADHN CO[C@@H](CN1C[C@@H](O)[C@@H](O)C1)C1CCCCC1 ZINC000659978598 411515961 /nfs/dbraw/zinc/51/59/61/411515961.db2.gz FXRLNDOYZMJUBB-XQQFMLRXSA-N 0 3 243.347 0.619 20 0 BCADHN CC[C@H]1C[C@@H](NCC(=O)NCC(F)F)CO1 ZINC000657455953 411516010 /nfs/dbraw/zinc/51/60/10/411516010.db2.gz VMRJLURCDVYIQD-SFYZADRCSA-N 0 3 236.262 0.525 20 0 BCADHN Cc1c[nH]c(CNC[C@@H](CO)[C@@H]2CCOC2)n1 ZINC000657455839 411516017 /nfs/dbraw/zinc/51/60/17/411516017.db2.gz UIUDRLUWFXKGGY-MNOVXSKESA-N 0 3 239.319 0.453 20 0 BCADHN Cc1c[nH]c(CNC[C@@H](CO)[C@H]2CCOC2)n1 ZINC000657455842 411516034 /nfs/dbraw/zinc/51/60/34/411516034.db2.gz UIUDRLUWFXKGGY-QWRGUYRKSA-N 0 3 239.319 0.453 20 0 BCADHN CO[C@H](CN1C[C@H](O)C[C@H](O)C1)C1CCCC1 ZINC000659976401 411516728 /nfs/dbraw/zinc/51/67/28/411516728.db2.gz AQTFVYBTOIAVLR-FRRDWIJNSA-N 0 3 243.347 0.619 20 0 BCADHN C[C@@H](CN(C)C)NCc1cnc2n1CCC2 ZINC000657465670 411519786 /nfs/dbraw/zinc/51/97/86/411519786.db2.gz ZNVWIVIYTRYURA-JTQLQIEISA-N 0 3 222.336 0.869 20 0 BCADHN CCN1CC[C@H](N(C)C[C@H]2CCOC2)C1=O ZINC000659988471 411520989 /nfs/dbraw/zinc/52/09/89/411520989.db2.gz XQEDHGCANVISOC-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN CO[C@](C)(CO)CNCc1ccn(C)c1 ZINC000655808098 411521362 /nfs/dbraw/zinc/52/13/62/411521362.db2.gz QLKUUYXDKCWLHU-NSHDSACASA-N 0 3 212.293 0.512 20 0 BCADHN Cn1nnc2c1CC[C@H](NCc1cccnc1)C2 ZINC000655844065 411535015 /nfs/dbraw/zinc/53/50/15/411535015.db2.gz YAFNZLHUZYZQIM-NSHDSACASA-N 0 3 243.314 0.857 20 0 BCADHN CC[C@H](O)CNCc1cnn2c1CCC2 ZINC000657471695 411523002 /nfs/dbraw/zinc/52/30/02/411523002.db2.gz DDMYJZZLKAJHRH-JTQLQIEISA-N 0 3 209.293 0.690 20 0 BCADHN COC[C@@](C)(O)CCNCc1cn[nH]c1 ZINC000657476946 411524349 /nfs/dbraw/zinc/52/43/49/411524349.db2.gz HDBJDBVSJDOEER-JTQLQIEISA-N 0 3 213.281 0.287 20 0 BCADHN c1[nH]nnc1CCN1CCOC2(CCCC2)C1 ZINC000660009786 411527957 /nfs/dbraw/zinc/52/79/57/411527957.db2.gz APFJLSWOALZOQR-UHFFFAOYSA-N 0 3 236.319 0.992 20 0 BCADHN NC(=O)CC1(CNCc2cc3n(n2)CCC3)CC1 ZINC000657495254 411535196 /nfs/dbraw/zinc/53/51/96/411535196.db2.gz UYRZTDMTNRIBAX-UHFFFAOYSA-N 0 3 248.330 0.575 20 0 BCADHN CC[C@H]1C[C@H](NC(COC)COC)CO1 ZINC000657482970 411528798 /nfs/dbraw/zinc/52/87/98/411528798.db2.gz 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170065499 /nfs/dbraw/zinc/06/54/99/170065499.db2.gz FATMQYDRKORJPQ-CABZTGNLSA-N 0 3 228.336 0.916 20 0 BCADHN CCNC(=O)CN[C@H]1C[C@@](C)(OC)C1(C)C ZINC000336753565 170065682 /nfs/dbraw/zinc/06/56/82/170065682.db2.gz FATMQYDRKORJPQ-JOYOIKCWSA-N 0 3 228.336 0.916 20 0 BCADHN CCNC(=O)N1CC[C@@H](NCc2cc[nH]c2)C1 ZINC000177835229 170073911 /nfs/dbraw/zinc/07/39/11/170073911.db2.gz IYGGPGMXYJPQMG-LLVKDONJSA-N 0 3 236.319 0.908 20 0 BCADHN CCNC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000371511459 170075201 /nfs/dbraw/zinc/07/52/01/170075201.db2.gz XFQICBGVQTVBAI-NXEZZACHSA-N 0 3 211.309 0.742 20 0 BCADHN CCNC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000335570420 170075228 /nfs/dbraw/zinc/07/52/28/170075228.db2.gz OUEVNOUMYYNKET-NSHDSACASA-N 0 3 211.309 0.744 20 0 BCADHN CCNC(=O)NC(=O)CN(C)C1CC(C)(C)C1 ZINC000332055544 170076248 /nfs/dbraw/zinc/07/62/48/170076248.db2.gz NFINJXAHXASNTF-UHFFFAOYSA-N 0 3 241.335 0.953 20 0 BCADHN CCNC(=O)NC(=O)CN1CCCC1(C)C ZINC000102930745 170076798 /nfs/dbraw/zinc/07/67/98/170076798.db2.gz HNBUEHDNNRDGTL-UHFFFAOYSA-N 0 3 227.308 0.707 20 0 BCADHN CCNC(=O)NC(=O)CN[C@H]1CSC[C@H]1C ZINC000309655373 170077072 /nfs/dbraw/zinc/07/70/72/170077072.db2.gz PLHNYVKFIQRUEB-SFYZADRCSA-N 0 3 245.348 0.173 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N(C)CCC1CC1 ZINC000135259073 170077115 /nfs/dbraw/zinc/07/71/15/170077115.db2.gz HHARTNIUOLQIHO-SECBINFHSA-N 0 3 241.335 0.953 20 0 BCADHN CCNC(=O)NC(=O)CN[C@@H]1CSC[C@@H]1C ZINC000309655371 170077254 /nfs/dbraw/zinc/07/72/54/170077254.db2.gz PLHNYVKFIQRUEB-JGVFFNPUSA-N 0 3 245.348 0.173 20 0 BCADHN CCNC(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000337350708 170080050 /nfs/dbraw/zinc/08/00/50/170080050.db2.gz TUIZVZBXKAIRTA-NSHDSACASA-N 0 3 242.367 0.332 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H]2CCC(=O)N(C)C2=O)CO1 ZINC000657495695 411535489 /nfs/dbraw/zinc/53/54/89/411535489.db2.gz DOEQODDQLDZQQX-OPRDCNLKSA-N 0 3 240.303 0.291 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@@H](CC)Cn1cncn1 ZINC000353426605 170088580 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/nfs/dbraw/zinc/55/09/47/411550947.db2.gz PIHQUKNHRLRSFT-NSHDSACASA-N 0 3 237.303 0.736 20 0 BCADHN Cc1c(CN[C@H](CO)C2CCC2)cnn1C ZINC000657559215 411551056 /nfs/dbraw/zinc/55/10/56/411551056.db2.gz XLJYLKWPBVALKV-GFCCVEGCSA-N 0 3 223.320 0.979 20 0 BCADHN CCCNS(=O)(=O)N1CCN[C@H](C(C)C)C1 ZINC000660184727 411552420 /nfs/dbraw/zinc/55/24/20/411552420.db2.gz MZOKREHDZGOMSR-JTQLQIEISA-N 0 3 249.380 0.161 20 0 BCADHN CCNS(=O)(=O)[C@H]1CCN(CCC2CC2)C1 ZINC000356983152 170136304 /nfs/dbraw/zinc/13/63/04/170136304.db2.gz UJUORAXUWBKALA-NSHDSACASA-N 0 3 246.376 0.800 20 0 BCADHN CO[C@H](CNCc1n[nH]cc1C)[C@@H]1CCOC1 ZINC000657542321 411546998 /nfs/dbraw/zinc/54/69/98/411546998.db2.gz PJOAOLIIXIXSOO-ZYHUDNBSSA-N 0 3 239.319 0.859 20 0 BCADHN Cn1cc(CN[C@@]23C[C@@H]2CCC3)c(=O)n(C)c1=O ZINC000657553496 411548575 /nfs/dbraw/zinc/54/85/75/411548575.db2.gz VTJCMSREUFFOKE-GWCFXTLKSA-N 0 3 249.314 0.116 20 0 BCADHN Cn1cnc(CN2CCN(C)CC2(C)C)c1 ZINC000660159589 411548912 /nfs/dbraw/zinc/54/89/12/411548912.db2.gz VPIUNQGKTIDRGR-UHFFFAOYSA-N 0 3 222.336 0.946 20 0 BCADHN CCOC(=O)C(C)(C)C(=O)NCCN(C)CC ZINC000119491585 170185581 /nfs/dbraw/zinc/18/55/81/170185581.db2.gz NMFXJUHFDKFFAQ-UHFFFAOYSA-N 0 3 244.335 0.644 20 0 BCADHN CCn1nncc1CNCC[C@@H](COC)OC ZINC000657554121 411549081 /nfs/dbraw/zinc/54/90/81/411549081.db2.gz NBEPPHRPNMXPDW-NSHDSACASA-N 0 3 242.323 0.439 20 0 BCADHN COC[C@H](CCNCc1ccc(CO)o1)OC ZINC000657554412 411549084 /nfs/dbraw/zinc/54/90/84/411549084.db2.gz PLBMUFUCCPUHAQ-LBPRGKRZSA-N 0 3 243.303 0.913 20 0 BCADHN CCn1nncc1CNCC[C@H](COC)OC ZINC000657554115 411549130 /nfs/dbraw/zinc/54/91/30/411549130.db2.gz NBEPPHRPNMXPDW-LLVKDONJSA-N 0 3 242.323 0.439 20 0 BCADHN COC[C@@H](CCNCc1c(C)cnn1C)OC ZINC000657555439 411549416 /nfs/dbraw/zinc/54/94/16/411549416.db2.gz VDHJLCHSDRHHRW-LLVKDONJSA-N 0 3 241.335 0.870 20 0 BCADHN COC[C@H](CN(C)CCc1cnccn1)OC ZINC000660164981 411549896 /nfs/dbraw/zinc/54/98/96/411549896.db2.gz AVLAGSBXEYWMBL-LBPRGKRZSA-N 0 3 239.319 0.612 20 0 BCADHN COC[C@@H](CCNCc1nccn1C)OC ZINC000657556241 411549919 /nfs/dbraw/zinc/54/99/19/411549919.db2.gz YAGMPALHRUPXSA-SNVBAGLBSA-N 0 3 227.308 0.561 20 0 BCADHN Cc1nn(C)cc1CN[C@@H](CO)C1CCC1 ZINC000657557959 411550060 /nfs/dbraw/zinc/55/00/60/411550060.db2.gz HGEDLEWBMBLUGY-LBPRGKRZSA-N 0 3 223.320 0.979 20 0 BCADHN COC[C@H](CN1C[C@H](C)N(C)C[C@@H]1C)OC ZINC000660166551 411550192 /nfs/dbraw/zinc/55/01/92/411550192.db2.gz UBVPAUGERQMHNF-SRVKXCTJSA-N 0 3 230.352 0.672 20 0 BCADHN COC[C@H](CN1CCN(C)[C@@H](C)[C@@H]1C)OC ZINC000660167699 411550553 /nfs/dbraw/zinc/55/05/53/411550553.db2.gz JNKPVHCJYMIEKZ-SRVKXCTJSA-N 0 3 230.352 0.672 20 0 BCADHN CCOC(=O)CCCN(C)[C@@]1(CO)CCOC1 ZINC000359588589 170201408 /nfs/dbraw/zinc/20/14/08/170201408.db2.gz XYBDVUFJAPVSSP-GFCCVEGCSA-N 0 3 245.319 0.413 20 0 BCADHN CCOC(=O)CCN1C[C@H](O)[C@@H](CC)C1 ZINC000341003106 170207540 /nfs/dbraw/zinc/20/75/40/170207540.db2.gz GDBYSLNMIHZRLJ-UWVGGRQHSA-N 0 3 215.293 0.642 20 0 BCADHN CCOC(=O)CCNC(=O)[C@@H](N)[C@@H](C)CC ZINC000041679963 170207877 /nfs/dbraw/zinc/20/78/77/170207877.db2.gz AJTZZKYQAFJRHD-WPRPVWTQSA-N 0 3 230.308 0.429 20 0 BCADHN CCOC(=O)CCNC(=O)[C@@H](CC)N(C)C ZINC000359207090 170208148 /nfs/dbraw/zinc/20/81/48/170208148.db2.gz IPSKZDZMXUCDDU-SECBINFHSA-N 0 3 230.308 0.396 20 0 BCADHN CCOC(=O)CN(C)C(=O)CN(C)CC1CC1 ZINC000111203435 170213398 /nfs/dbraw/zinc/21/33/98/170213398.db2.gz XRJLUBMQJNNWCB-UHFFFAOYSA-N 0 3 242.319 0.350 20 0 BCADHN CCOC(=O)CN(CC(C)C)C(=O)[C@H](N)CC ZINC000037812319 170215658 /nfs/dbraw/zinc/21/56/58/170215658.db2.gz SCCQMZRPSFZSBM-SNVBAGLBSA-N 0 3 244.335 0.771 20 0 BCADHN CCOC(=O)CNC(=O)C1(N)CCCCC1 ZINC000037713908 170222084 /nfs/dbraw/zinc/22/20/84/170222084.db2.gz DYQSSSKAHPVPEG-UHFFFAOYSA-N 0 3 228.292 0.327 20 0 BCADHN CCOC(=O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000127466093 170223271 /nfs/dbraw/zinc/22/32/71/170223271.db2.gz JAMXDUBNAWJXMQ-SNVBAGLBSA-N 0 3 230.308 0.252 20 0 BCADHN CCOC(=O)CNC(=O)[C@H](CC)N(C)C ZINC000124874471 170223571 /nfs/dbraw/zinc/22/35/71/170223571.db2.gz SSHXXCWHPSSSMF-QMMMGPOBSA-N 0 3 216.281 0.006 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)CO1 ZINC000657637413 411567647 /nfs/dbraw/zinc/56/76/47/411567647.db2.gz IBAQWBQYFDOJSZ-DBIOUOCHSA-N 0 3 247.360 0.719 20 0 BCADHN C[C@@H]1CC[C@@H](N[C@@H]2CCOC2)CS1(=O)=O ZINC000657637566 411567658 /nfs/dbraw/zinc/56/76/58/411567658.db2.gz LEJYSTAUTTWIJV-OPRDCNLKSA-N 0 3 233.333 0.331 20 0 BCADHN COC[C@H](C)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000657636903 411567764 /nfs/dbraw/zinc/56/77/64/411567764.db2.gz FTGYNNNYMKFKCQ-LPEHRKFASA-N 0 3 235.349 0.577 20 0 BCADHN CCOC(=O)COCCN(CC)[C@@H]1CCOC1 ZINC000336707595 170228065 /nfs/dbraw/zinc/22/80/65/170228065.db2.gz LWJDQRAEXHUIBU-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1C[C@@H](C)O ZINC000337206232 170231670 /nfs/dbraw/zinc/23/16/70/170231670.db2.gz MCIMUUBKMXBIFM-VWYCJHECSA-N 0 3 245.319 0.410 20 0 BCADHN CCCCCN(CCc1c[nH]nn1)CC(N)=O ZINC000660231411 411556871 /nfs/dbraw/zinc/55/68/71/411556871.db2.gz BFWIRRGTTBFMFK-UHFFFAOYSA-N 0 3 239.323 0.325 20 0 BCADHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)NC1CC1 ZINC000358800918 170249089 /nfs/dbraw/zinc/24/90/89/170249089.db2.gz BJGXUBYIDKSNFQ-IUCAKERBSA-N 0 3 242.319 0.442 20 0 BCADHN Cc1nn(C)c2ncc(CNC/C=C/CO)cc12 ZINC000657593283 411559323 /nfs/dbraw/zinc/55/93/23/411559323.db2.gz RVIWAFFNGXQVSI-ONEGZZNKSA-N 0 3 246.314 0.915 20 0 BCADHN CCOC(=O)[C@@H]1CCCN(C[C@@H](C)O)C1 ZINC000037693510 170258321 /nfs/dbraw/zinc/25/83/21/170258321.db2.gz XQDKHMDIHFANTQ-NXEZZACHSA-N 0 3 215.293 0.642 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN(C)C[C@H]1CCCO1 ZINC000355035984 170261343 /nfs/dbraw/zinc/26/13/43/170261343.db2.gz HEUPWTCOAVPTGS-PWSUYJOCSA-N 0 3 245.319 0.411 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN(C)C[C@H](C)OC ZINC000353221509 170261693 /nfs/dbraw/zinc/26/16/93/170261693.db2.gz SFDYZVRMPCAYGX-ONGXEEELSA-N 0 3 233.308 0.267 20 0 BCADHN CCOC(=O)[C@H](C)N1CCN(CC2CC2)CC1 ZINC000043638756 170266442 /nfs/dbraw/zinc/26/64/42/170266442.db2.gz ZZVJYVKPPTZFOU-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H]1CCN(C)C1=O ZINC000331116149 170269508 /nfs/dbraw/zinc/26/95/08/170269508.db2.gz MBKUBAYKUJSMCH-BBBLOLIVSA-N 0 3 242.319 0.394 20 0 BCADHN CCOC(=O)[C@H](NC(=O)[C@@H](C)N)[C@H](C)CC ZINC000119228867 170276601 /nfs/dbraw/zinc/27/66/01/170276601.db2.gz CMJGJMUQICJXLK-IWSPIJDZSA-N 0 3 230.308 0.428 20 0 BCADHN CCN1CC[C@H](N[C@H](C)[C@@H](C)CO)C1=O ZINC000660270332 411562890 /nfs/dbraw/zinc/56/28/90/411562890.db2.gz TXQAAKJHLVOZFE-AEJSXWLSSA-N 0 3 214.309 0.214 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H]1CCC[C@H]1C ZINC000657603103 411562916 /nfs/dbraw/zinc/56/29/16/411562916.db2.gz LQDOYONKCJCZMF-CHWFTXMASA-N 0 3 247.360 0.577 20 0 BCADHN Nc1cccc(CN2CCN3CCOC[C@H]3C2)c1 ZINC000660273826 411563106 /nfs/dbraw/zinc/56/31/06/411563106.db2.gz LQFKHMJTYFBALV-CQSZACIVSA-N 0 3 247.342 0.785 20 0 BCADHN CCN1OC[C@H](N[C@H](C)[C@H]2CCOC2)C1=O ZINC000660271490 411563304 /nfs/dbraw/zinc/56/33/04/411563304.db2.gz YMFYDLGWCLCAJJ-UTLUCORTSA-N 0 3 228.292 0.163 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H]1CCC[C@H]1C ZINC000657603106 411563524 /nfs/dbraw/zinc/56/35/24/411563524.db2.gz LQDOYONKCJCZMF-VPOLOUISSA-N 0 3 247.360 0.577 20 0 BCADHN C[C@H](NCc1cnc2cnccn12)C1(CO)CC1 ZINC000657604925 411563596 /nfs/dbraw/zinc/56/35/96/411563596.db2.gz YMSSEKDJZUMLHU-JTQLQIEISA-N 0 3 246.314 0.980 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCC[C@@H](O)CC1 ZINC000339792641 170284021 /nfs/dbraw/zinc/28/40/21/170284021.db2.gz RSBCGUXUGKGACU-ZYHUDNBSSA-N 0 3 245.319 0.147 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1C[C@@H](O)[C@@H](CC)C1 ZINC000355082061 170284963 /nfs/dbraw/zinc/28/49/63/170284963.db2.gz UNDLSZASHATYMU-HOSYDEDBSA-N 0 3 245.319 0.003 20 0 BCADHN CCOC(=O)[C@](C)(O)CN[C@@H](COC)C1CC1 ZINC000355042521 170284973 /nfs/dbraw/zinc/28/49/73/170284973.db2.gz APTYHHZKWBVXQF-CMPLNLGQSA-N 0 3 245.319 0.315 20 0 BCADHN CCOC(=O)c1cc(CN[C@@H](C)CO)[nH]c1C ZINC000295868940 170291422 /nfs/dbraw/zinc/29/14/22/170291422.db2.gz XFZYKAFKQAQURY-QMMMGPOBSA-N 0 3 240.303 0.970 20 0 BCADHN CCOC(=O)c1cc(CNC[C@@H](C)O)[nH]c1C ZINC000362277661 170291489 /nfs/dbraw/zinc/29/14/89/170291489.db2.gz KVMQWNZTHKHRFJ-MRVPVSSYSA-N 0 3 240.303 0.970 20 0 BCADHN CCOC(=O)c1cc(CNCCO)[nH]c1C ZINC000295530961 170291703 /nfs/dbraw/zinc/29/17/03/170291703.db2.gz WQALEMFGWRERLF-UHFFFAOYSA-N 0 3 226.276 0.582 20 0 BCADHN CCOC(CN1C[C@H]2[C@H](CO)[C@H]2C1)OCC ZINC000366447301 170315778 /nfs/dbraw/zinc/31/57/78/170315778.db2.gz ZXNOVPYMBVAGAM-URLYPYJESA-N 0 3 229.320 0.556 20 0 BCADHN CCOC1CC(CN2CCc3nn[nH]c3C2)C1 ZINC000352408754 170325184 /nfs/dbraw/zinc/32/51/84/170325184.db2.gz XAJIEXCLYPEPSA-UHFFFAOYSA-N 0 3 236.319 0.978 20 0 BCADHN CCOC1CC(CN2CCc3n[nH]nc3C2)C1 ZINC000352408754 170325186 /nfs/dbraw/zinc/32/51/86/170325186.db2.gz XAJIEXCLYPEPSA-UHFFFAOYSA-N 0 3 236.319 0.978 20 0 BCADHN CCOC1CC(NC[C@H]2CCCS2(=O)=O)C1 ZINC000162802090 170329063 /nfs/dbraw/zinc/32/90/63/170329063.db2.gz DABYSCOUBDHHLG-VQXHTEKXSA-N 0 3 247.360 0.721 20 0 BCADHN CCOCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000336666709 170339381 /nfs/dbraw/zinc/33/93/81/170339381.db2.gz QCAPSJABIMWAAV-NSHDSACASA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CNC(=O)C2)[C@@H](C)[C@@H](C)O1 ZINC000660374511 411574830 /nfs/dbraw/zinc/57/48/30/411574830.db2.gz ILVOFQQZORCHTB-YTWAJWBKSA-N 0 3 226.320 0.620 20 0 BCADHN CCOCC(C)(C)NCC(=O)NC(C)C ZINC000339374068 170354269 /nfs/dbraw/zinc/35/42/69/170354269.db2.gz JIOKSESNNRJOMT-UHFFFAOYSA-N 0 3 216.325 0.916 20 0 BCADHN CCOCCC(=O)N1CCN(C)CC[C@@H]1C ZINC000354006420 170358882 /nfs/dbraw/zinc/35/88/82/170358882.db2.gz LQFKPFHCKNBKIL-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCOCCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000374917120 170359650 /nfs/dbraw/zinc/35/96/50/170359650.db2.gz XYHDIPFWODGKFV-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CCOCCC(=O)N[C@@H](C)CN(C)C ZINC000346174284 170361563 /nfs/dbraw/zinc/36/15/63/170361563.db2.gz XVJKBBYSCDSECQ-VIFPVBQESA-N 0 3 202.298 0.479 20 0 BCADHN CCOCCCN(C)[C@@H]1COC[C@H]1O ZINC000352794855 170371313 /nfs/dbraw/zinc/37/13/13/170371313.db2.gz RWORQSTUFMHBAK-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN CCOCCCN1CCCN(C(C)=O)CC1 ZINC000357668310 170373191 /nfs/dbraw/zinc/37/31/91/170373191.db2.gz UVSVHNDVLLVTSG-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN CCOCCCNC(=O)C1(N)CCCC1 ZINC000037479408 170375840 /nfs/dbraw/zinc/37/58/40/170375840.db2.gz QQLZKGMSUDULSV-UHFFFAOYSA-N 0 3 214.309 0.801 20 0 BCADHN C[C@@H]1CC[C@@H](NCC2(C)COC2)CS1(=O)=O ZINC000657640540 411569424 /nfs/dbraw/zinc/56/94/24/411569424.db2.gz YAWUNSIMDZNGKL-NXEZZACHSA-N 0 3 247.360 0.578 20 0 BCADHN OC1(C(F)F)CCN(CCc2c[nH]nn2)CC1 ZINC000660332084 411570263 /nfs/dbraw/zinc/57/02/63/411570263.db2.gz FYPVIGZFVJLFJC-UHFFFAOYSA-N 0 3 246.261 0.439 20 0 BCADHN CCOCCN(C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000367686101 170388631 /nfs/dbraw/zinc/38/86/31/170388631.db2.gz SQORGEFHEYQDCA-BETUJISGSA-N 0 3 242.363 0.818 20 0 BCADHN CCOCCN(C)C[C@](C)(O)C(=O)OCC ZINC000355043012 170390803 /nfs/dbraw/zinc/39/08/03/170390803.db2.gz FKVPFHMVKGTTQA-NSHDSACASA-N 0 3 233.308 0.269 20 0 BCADHN CCOCCN(CC)C[C@](C)(O)C(=O)OCC ZINC000354833960 170395037 /nfs/dbraw/zinc/39/50/37/170395037.db2.gz JUHWACMWKIJWEP-LBPRGKRZSA-N 0 3 247.335 0.659 20 0 BCADHN C[C@H](NCCc1cn[nH]n1)c1ccn(C)n1 ZINC000660777975 411626173 /nfs/dbraw/zinc/62/61/73/411626173.db2.gz AMPREGFXXNBDFU-QMMMGPOBSA-N 0 3 220.280 0.432 20 0 BCADHN C[C@H](NCCc1c[nH]nn1)c1ccn(C)n1 ZINC000660777975 411626178 /nfs/dbraw/zinc/62/61/78/411626178.db2.gz AMPREGFXXNBDFU-QMMMGPOBSA-N 0 3 220.280 0.432 20 0 BCADHN Cc1cc(NC(=O)[C@@H]2C[C@@H]2N)nn1C(C)C ZINC000335276961 411626879 /nfs/dbraw/zinc/62/68/79/411626879.db2.gz FLWZLTMZEHNCPX-BDAKNGLRSA-N 0 3 222.292 1.058 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCCO[C@H]1CC1(F)F ZINC000660779600 411629676 /nfs/dbraw/zinc/62/96/76/411629676.db2.gz FAWSEFMPJGMPGX-YIZRAAEISA-N 0 3 237.246 0.414 20 0 BCADHN Cc1cc(NC(=O)[C@H](C)NC2CC2)nn1C ZINC000394818760 411630718 /nfs/dbraw/zinc/63/07/18/411630718.db2.gz LKZHXMMWEIQYFD-QMMMGPOBSA-N 0 3 222.292 0.808 20 0 BCADHN COCCn1cc(CNCCOCCF)cn1 ZINC000663340963 411631872 /nfs/dbraw/zinc/63/18/72/411631872.db2.gz LFOZZWMZPAIAHS-UHFFFAOYSA-N 0 3 245.298 0.605 20 0 BCADHN CCN1CCCN(CC(=O)N(C)C)[C@H](C)C1 ZINC000660788184 411633690 /nfs/dbraw/zinc/63/36/90/411633690.db2.gz WSNVOCSYYSNFLZ-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN Cn1nnc2c1ncnc2NC1CCN(C)CC1 ZINC000663348223 411634034 /nfs/dbraw/zinc/63/40/34/411634034.db2.gz NSYIUGOIACEIAO-UHFFFAOYSA-N 0 3 247.306 0.264 20 0 BCADHN CCN1CCCN(Cc2nnn(C)n2)[C@H](C)C1 ZINC000660786518 411634119 /nfs/dbraw/zinc/63/41/19/411634119.db2.gz KEDLBBWEVURKCP-SNVBAGLBSA-N 0 3 238.339 0.126 20 0 BCADHN O[C@H](CN[C@@H]1C[C@@H](O)C1)COc1ccccc1 ZINC000663372404 411638565 /nfs/dbraw/zinc/63/85/65/411638565.db2.gz AXFYAGQYKXOUFP-IJLUTSLNSA-N 0 3 237.299 0.539 20 0 BCADHN Cc1n[nH]c([C@@H]2CCN(Cc3cn(C)cn3)C2)n1 ZINC000660805989 411639278 /nfs/dbraw/zinc/63/92/78/411639278.db2.gz PSYCWRGMHNVCSB-SNVBAGLBSA-N 0 3 246.318 0.836 20 0 BCADHN Cc1nc([C@@H]2CCN(Cc3cn(C)cn3)C2)n[nH]1 ZINC000660805989 411639284 /nfs/dbraw/zinc/63/92/84/411639284.db2.gz PSYCWRGMHNVCSB-SNVBAGLBSA-N 0 3 246.318 0.836 20 0 BCADHN Cc1nnc([C@@H]2CCN(Cc3cn(C)cn3)C2)[nH]1 ZINC000660805989 411639291 /nfs/dbraw/zinc/63/92/91/411639291.db2.gz PSYCWRGMHNVCSB-SNVBAGLBSA-N 0 3 246.318 0.836 20 0 BCADHN Cc1cc(NCCCN2CCN(C)CC2)ncn1 ZINC000346606346 411647239 /nfs/dbraw/zinc/64/72/39/411647239.db2.gz IDIJJVQNGROMDV-UHFFFAOYSA-N 0 3 249.362 0.834 20 0 BCADHN C[C@@](O)(CNCCOCCF)C(F)(F)F ZINC000663375219 411640187 /nfs/dbraw/zinc/64/01/87/411640187.db2.gz BQNYEYQANJDLJT-SSDOTTSWSA-N 0 3 233.205 0.875 20 0 BCADHN OCC1CC(NC[C@@H](O)C(F)(F)F)C1 ZINC000663374078 411640225 /nfs/dbraw/zinc/64/02/25/411640225.db2.gz DALYRNWMWPTGRC-KPGICGJXSA-N 0 3 213.199 0.270 20 0 BCADHN COC[C@@H](O)CN[C@H](c1ccccc1)[C@H](C)O ZINC000663376771 411640791 /nfs/dbraw/zinc/64/07/91/411640791.db2.gz VDAUQHKGSBIUMC-DRZSPHRISA-N 0 3 239.315 0.705 20 0 BCADHN O[C@@H](CNCCOCCF)C(F)(F)F ZINC000663375108 411640971 /nfs/dbraw/zinc/64/09/71/411640971.db2.gz ASCUKDSPUDNJIC-LURJTMIESA-N 0 3 219.178 0.485 20 0 BCADHN COC[C@H](O)CN[C@H](c1ccccc1)[C@H](C)O ZINC000663376775 411641084 /nfs/dbraw/zinc/64/10/84/411641084.db2.gz VDAUQHKGSBIUMC-UHTWSYAYSA-N 0 3 239.315 0.705 20 0 BCADHN C[C@H](O)[C@@H]1CN([C@@H]2CCO[C@H](C)C2)CCO1 ZINC000660812422 411643014 /nfs/dbraw/zinc/64/30/14/411643014.db2.gz NUEIIGUTBXUCBJ-KXNHARMFSA-N 0 3 229.320 0.636 20 0 BCADHN CC[C@@]1(C)CN(C[C@H]2CNC(=O)C2)CCO1 ZINC000660379988 411576013 /nfs/dbraw/zinc/57/60/13/411576013.db2.gz IVOKKGFRIPUHOV-PWSUYJOCSA-N 0 3 226.320 0.623 20 0 BCADHN CCN1OC[C@H](N[C@H]2CCC[C@H]2C)C1=O ZINC000660410460 411580940 /nfs/dbraw/zinc/58/09/40/411580940.db2.gz NVIBUJLXGKELHQ-UTLUCORTSA-N 0 3 212.293 0.927 20 0 BCADHN Cn1nncc1CNCC(O)(C1CC1)C1CC1 ZINC000657698855 411581847 /nfs/dbraw/zinc/58/18/47/411581847.db2.gz URHXQLYXOMJAHE-UHFFFAOYSA-N 0 3 236.319 0.456 20 0 BCADHN Cn1cc(CN[C@H]2C[C@@H](O)C23CCC3)cn1 ZINC000657704266 411584020 /nfs/dbraw/zinc/58/40/20/411584020.db2.gz RNUZRWRVZKLISE-WDEREUQCSA-N 0 3 221.304 0.813 20 0 BCADHN CCn1nncc1CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000657710270 411586102 /nfs/dbraw/zinc/58/61/02/411586102.db2.gz URXGFGCRCPWXMY-GHMZBOCLSA-N 0 3 236.319 0.691 20 0 BCADHN CC[C@H]1CN(CCc2cn[nH]n2)CCCO1 ZINC000660471197 411590477 /nfs/dbraw/zinc/59/04/77/411590477.db2.gz ZXHMYISWHDYYTN-NSHDSACASA-N 0 3 224.308 0.848 20 0 BCADHN CCOC[C@H](C)NCCS(C)(=O)=O ZINC000044425490 170446349 /nfs/dbraw/zinc/44/63/49/170446349.db2.gz LPZWEUPMJHAFJJ-QMMMGPOBSA-N 0 3 209.311 0.046 20 0 BCADHN FC(F)O[C@H]1CCN(CCc2c[nH]nn2)C1 ZINC000660489888 411593918 /nfs/dbraw/zinc/59/39/18/411593918.db2.gz SCEVAXZQORFKNH-QMMMGPOBSA-N 0 3 232.234 0.661 20 0 BCADHN COC[C@@H](CN(C)C1(CO)CC1)OC ZINC000660544997 411597959 /nfs/dbraw/zinc/59/79/59/411597959.db2.gz XRQSKENOWAREID-SECBINFHSA-N 0 3 203.282 0.105 20 0 BCADHN CCOC[C@H](O)CN[C@@H](C)c1cn(C)nc1C ZINC000336692368 170454378 /nfs/dbraw/zinc/45/43/78/170454378.db2.gz HUCZEKMTBLOIGA-GXSJLCMTSA-N 0 3 241.335 0.777 20 0 BCADHN C[C@H](O)CN(CCO)CCO[C@H]1CC1(F)F ZINC000660561752 411600516 /nfs/dbraw/zinc/60/05/16/411600516.db2.gz AKTJKTRTKJFCEN-IUCAKERBSA-N 0 3 239.262 0.086 20 0 BCADHN O[C@H]1C[C@H](NCc2cnc3n2CCC3)C1 ZINC000657808283 411600672 /nfs/dbraw/zinc/60/06/72/411600672.db2.gz DLBOKUVKUYJXBZ-CZMCAQCFSA-N 0 3 207.277 0.442 20 0 BCADHN Cn1ncc(C2CC2)c1CN[C@H]1C[C@H](O)C1 ZINC000657808814 411600740 /nfs/dbraw/zinc/60/07/40/411600740.db2.gz PGNYKICAGMLREM-MGCOHNPYSA-N 0 3 221.304 0.910 20 0 BCADHN CC[C@@H](O)CN1CCC(c2nc(N)n[nH]2)CC1 ZINC000660567548 411601609 /nfs/dbraw/zinc/60/16/09/411601609.db2.gz LBJALDCFIVEBDT-SECBINFHSA-N 0 3 239.323 0.337 20 0 BCADHN COCCn1cc(CN[C@H]2C[C@H](O)C2)cn1 ZINC000657808917 411601993 /nfs/dbraw/zinc/60/19/93/411601993.db2.gz BKGRGIOZLLTERF-XYPYZODXSA-N 0 3 225.292 0.142 20 0 BCADHN CN(C)c1ncc(CN[C@H]2C[C@H](O)C2)s1 ZINC000657810051 411602123 /nfs/dbraw/zinc/60/21/23/411602123.db2.gz RSAMGODBLJEPGS-ZKCHVHJHSA-N 0 3 227.333 0.822 20 0 BCADHN C[C@@H](CN[C@H]1C[C@@H](C)O[C@@H]1C)S(C)(=O)=O ZINC000657814251 411604362 /nfs/dbraw/zinc/60/43/62/411604362.db2.gz BEHNWWQOGPNKKA-RGOKHQFPSA-N 0 3 235.349 0.575 20 0 BCADHN C[C@@H](O)CN(C)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000660597627 411605999 /nfs/dbraw/zinc/60/59/99/411605999.db2.gz SGPKNFGWGJNPLP-DDHJBXDOSA-N 0 3 240.347 0.746 20 0 BCADHN O=C(NCCN[C@H]1CCCn2nccc21)C1CC1 ZINC000657821453 411606934 /nfs/dbraw/zinc/60/69/34/411606934.db2.gz PVONHUJYWGMIKX-NSHDSACASA-N 0 3 248.330 0.834 20 0 BCADHN COc1cc(CN2CC[C@@H]3CN(C)C[C@H]32)on1 ZINC000660612274 411607170 /nfs/dbraw/zinc/60/71/70/411607170.db2.gz ZOUVFSWJURTFGY-MWLCHTKSSA-N 0 3 237.303 0.819 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1COC2(CCC2)C1 ZINC000657824532 411607594 /nfs/dbraw/zinc/60/75/94/411607594.db2.gz UDUMWFGSKZATBB-JTQLQIEISA-N 0 3 226.320 0.812 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@@H]1COC2(CCC2)C1 ZINC000657827183 411608369 /nfs/dbraw/zinc/60/83/69/411608369.db2.gz YSEOZZIIGKYGTD-ZJUUUORDSA-N 0 3 226.320 0.812 20 0 BCADHN CC(C)N(C[C@H]1CNC(=O)C1)C1COC1 ZINC000660646713 411611549 /nfs/dbraw/zinc/61/15/49/411611549.db2.gz FAJQSPDDRRVZGQ-SECBINFHSA-N 0 3 212.293 0.232 20 0 BCADHN CN1C[C@H](N[C@@H]2COC3(CCC3)C2)CC1=O ZINC000657865787 411612991 /nfs/dbraw/zinc/61/29/91/411612991.db2.gz WQEOYWVNFJERMA-ZJUUUORDSA-N 0 3 224.304 0.518 20 0 BCADHN COC1([C@@H](C)N[C@H]2CC(=O)N(C)C2)CCC1 ZINC000657864901 411613202 /nfs/dbraw/zinc/61/32/02/411613202.db2.gz QOUANYIAQYZWGM-ZJUUUORDSA-N 0 3 226.320 0.764 20 0 BCADHN CS(=O)(=O)CCCN[C@H]1COC2(CCC2)C1 ZINC000657869705 411613982 /nfs/dbraw/zinc/61/39/82/411613982.db2.gz KQXPTYYVFIMOML-SNVBAGLBSA-N 0 3 247.360 0.722 20 0 BCADHN CCN1CC[C@@H](N[C@@H]2CCOC2(C)C)C1=O ZINC000660668347 411616096 /nfs/dbraw/zinc/61/60/96/411616096.db2.gz FFOWXINJCRBAJB-NXEZZACHSA-N 0 3 226.320 0.764 20 0 BCADHN CSc1cccc(CNC(CO)CO)c1 ZINC000660696912 411618197 /nfs/dbraw/zinc/61/81/97/411618197.db2.gz XGHKYPSKDDTTGZ-UHFFFAOYSA-N 0 3 227.329 0.851 20 0 BCADHN CO[C@H]1CCN(CCOCCO)CC1(C)C ZINC000660721925 411618822 /nfs/dbraw/zinc/61/88/22/411618822.db2.gz TYLJJOKTGKNJPN-NSHDSACASA-N 0 3 231.336 0.742 20 0 BCADHN CCN1CC[C@@H](N[C@@H]2CCC[C@H]2OC)C1=O ZINC000660722953 411619305 /nfs/dbraw/zinc/61/93/05/411619305.db2.gz QXFYHKAXHAARFF-GMTAPVOTSA-N 0 3 226.320 0.764 20 0 BCADHN COC[C@@H]1CCCCN1CCc1cn[nH]n1 ZINC000660755082 411620955 /nfs/dbraw/zinc/62/09/55/411620955.db2.gz IMPSVYCBAMMWMS-NSHDSACASA-N 0 3 224.308 0.848 20 0 BCADHN C[C@]1([N-]S(=O)(=O)c2cscn2)CC[NH2+]C1 ZINC000663310641 411621616 /nfs/dbraw/zinc/62/16/16/411621616.db2.gz DPNKHULPLIGOFZ-QMMMGPOBSA-N 0 3 247.345 0.173 20 0 BCADHN CCS(=O)(=O)N(C)[C@H](CN)C(F)(F)F ZINC000663312494 411621923 /nfs/dbraw/zinc/62/19/23/411621923.db2.gz YCYKKJRISCZPTM-RXMQYKEDSA-N 0 3 234.243 0.158 20 0 BCADHN CC[C@H](C)N(CC)CCNS(C)(=O)=O ZINC000661104625 411708447 /nfs/dbraw/zinc/70/84/47/411708447.db2.gz ASQGKWZSWWFLGQ-VIFPVBQESA-N 0 3 222.354 0.656 20 0 BCADHN COC[C@H](C)CC(=O)N[C@H]1CCCN(C)C1 ZINC000674795703 487620457 /nfs/dbraw/zinc/62/04/57/487620457.db2.gz XAXZMXVRUWDHMD-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2cc(C)nc(C)n2)C1 ZINC000660831747 411648076 /nfs/dbraw/zinc/64/80/76/411648076.db2.gz GYLRJFNIKKUFAZ-LLVKDONJSA-N 0 3 248.330 0.661 20 0 BCADHN CCc1nocc1CN1CC[C@H](C(=O)NC)C1 ZINC000660831144 411649319 /nfs/dbraw/zinc/64/93/19/411649319.db2.gz DBQHNGNSSXHSEI-VIFPVBQESA-N 0 3 237.303 0.805 20 0 BCADHN CCO[C@H]1C[C@@H](NC(=O)[C@@H](C)N)C12CCC2 ZINC000162016899 170507190 /nfs/dbraw/zinc/50/71/90/170507190.db2.gz NGLMBEOTYBMWPF-BBBLOLIVSA-N 0 3 226.320 0.798 20 0 BCADHN CCN[C@H](C)C(=O)Nc1ccn(CC)n1 ZINC000638406738 411651235 /nfs/dbraw/zinc/65/12/35/411651235.db2.gz YIGIXVPAGBVZKR-MRVPVSSYSA-N 0 3 210.281 0.840 20 0 BCADHN CCO[C@H]1C[C@H](N(C)C(=O)CN)C1(C)C ZINC000236958141 170510160 /nfs/dbraw/zinc/51/01/60/170510160.db2.gz WMCQDUBNMNQATN-IUCAKERBSA-N 0 3 214.309 0.607 20 0 BCADHN c1nnc2ccc(N[C@H]3CCN(C4CC4)C3)nn12 ZINC000663428377 411657907 /nfs/dbraw/zinc/65/79/07/411657907.db2.gz JUCYPRKRMVWULO-VIFPVBQESA-N 0 3 244.302 0.773 20 0 BCADHN Cc1cc2c(NCC3(N(C)C)CC3)nccn2n1 ZINC000397880416 411660831 /nfs/dbraw/zinc/66/08/31/411660831.db2.gz YJOFDILSFQWJAG-UHFFFAOYSA-N 0 3 245.330 1.544 20 0 BCADHN O=S1(=O)CCC[C@H](NCCOCCF)C1 ZINC000663461708 411664124 /nfs/dbraw/zinc/66/41/24/411664124.db2.gz GOHYNQIDLSLQPP-VIFPVBQESA-N 0 3 239.312 0.139 20 0 BCADHN CO[C@H](CN(C)CCNC(C)=O)C1CCC1 ZINC000660904553 411666727 /nfs/dbraw/zinc/66/67/27/411666727.db2.gz SMNTYLAMDGPJAA-GFCCVEGCSA-N 0 3 228.336 0.869 20 0 BCADHN CC(=O)NCCN(C)[C@H]1COC(C)(C)C1 ZINC000660905560 411667700 /nfs/dbraw/zinc/66/77/00/411667700.db2.gz YHJXJURSBQIXAQ-SNVBAGLBSA-N 0 3 214.309 0.622 20 0 BCADHN Cc1ccc(C(=O)N2CCOC3(CNC3)C2)cc1 ZINC000663484172 411669556 /nfs/dbraw/zinc/66/95/56/411669556.db2.gz UCSKCLYQLOSWJE-UHFFFAOYSA-N 0 3 246.310 0.809 20 0 BCADHN CCC[C@@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000663485273 411669756 /nfs/dbraw/zinc/66/97/56/411669756.db2.gz CHNUPBXRBCJQCA-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN O=C(c1ccccc1[O-])N1CCOC2(C[NH2+]C2)C1 ZINC000663483271 411670102 /nfs/dbraw/zinc/67/01/02/411670102.db2.gz KQEVINVVKJKDKY-UHFFFAOYSA-N 0 3 248.282 0.207 20 0 BCADHN C[C@@H](C(=O)N1CCOC2(CNC2)C1)C(C)(C)C ZINC000663488453 411670652 /nfs/dbraw/zinc/67/06/52/411670652.db2.gz UZEBIXIRJLYURR-JTQLQIEISA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@]1(C(=O)N2CCOC3(CNC3)C2)CC1(F)F ZINC000663491177 411671104 /nfs/dbraw/zinc/67/11/04/411671104.db2.gz GKJBLTAKXMNHLC-VIFPVBQESA-N 0 3 246.257 0.233 20 0 BCADHN Cc1ncccc1C(=O)N1CCOC2(CNC2)C1 ZINC000663489985 411671500 /nfs/dbraw/zinc/67/15/00/411671500.db2.gz NUTDJCVCIIHPFC-UHFFFAOYSA-N 0 3 247.298 0.204 20 0 BCADHN C[C@]1(C(=O)N2CCOC3(CNC3)C2)CC1(F)F ZINC000663491176 411671665 /nfs/dbraw/zinc/67/16/65/411671665.db2.gz GKJBLTAKXMNHLC-SECBINFHSA-N 0 3 246.257 0.233 20 0 BCADHN C[NH2+]C[C@@H](C)NCc1nc(C)ccc1[O-] ZINC000663507931 411690587 /nfs/dbraw/zinc/69/05/87/411690587.db2.gz CZVLUKGISAXNFS-SECBINFHSA-N 0 3 209.293 0.793 20 0 BCADHN O[C@H]1CCN(CCNc2cc3c(nn2)CCC3)C1 ZINC000624775515 411697428 /nfs/dbraw/zinc/69/74/28/411697428.db2.gz YJIMCPIILGPUHR-NSHDSACASA-N 0 3 248.330 0.444 20 0 BCADHN Cc1n[nH]c(C)c1CN1CCOC2(CNC2)C1 ZINC000663514767 411697835 /nfs/dbraw/zinc/69/78/35/411697835.db2.gz ZPCJDBHBRXNESA-UHFFFAOYSA-N 0 3 236.319 0.201 20 0 BCADHN CN(CCN(C)Cc1cnc[nH]1)Cc1c[nH]cn1 ZINC000661088772 411698534 /nfs/dbraw/zinc/69/85/34/411698534.db2.gz ONEXFOYBNRSHCP-UHFFFAOYSA-N 0 3 248.334 0.697 20 0 BCADHN c1cc2c(ncnc2NCCN2CCC2)[nH]1 ZINC000390250700 411701219 /nfs/dbraw/zinc/70/12/19/411701219.db2.gz KQSQQFIWNYKHOG-UHFFFAOYSA-N 0 3 217.276 1.076 20 0 BCADHN CN(C)C(=O)CCN1CCO[C@](C)(C2CC2)C1 ZINC000661171530 411728642 /nfs/dbraw/zinc/72/86/42/411728642.db2.gz WZDVZYBQDLDNDV-ZDUSSCGKSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C)[C@H]1CN(C(=O)N[C@H]2CC2(C)C)C[C@@H]1O ZINC000663772532 411743013 /nfs/dbraw/zinc/74/30/13/411743013.db2.gz AIEBQKPBKRCRKH-GUBZILKMSA-N 0 3 241.335 0.101 20 0 BCADHN CC[C@H](C)N(C)CCNc1ccc(=O)n(C)n1 ZINC000413110181 411744414 /nfs/dbraw/zinc/74/44/14/411744414.db2.gz HFUONKWGTUWIHK-JTQLQIEISA-N 0 3 238.335 0.923 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000645822840 411750680 /nfs/dbraw/zinc/75/06/80/411750680.db2.gz KQJUKYBHWJAWOX-VIFPVBQESA-N 0 3 245.286 1.148 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(CC(C)C)[nH]n1 ZINC000582844108 411751278 /nfs/dbraw/zinc/75/12/78/411751278.db2.gz RYURNKPDZWTNIY-VIFPVBQESA-N 0 3 224.308 1.284 20 0 BCADHN CCc1cc(NC(=O)[C@H]2NCC2(C)C)n[nH]1 ZINC000645767744 411766802 /nfs/dbraw/zinc/76/68/02/411766802.db2.gz JBVOXCKATNNMDD-SECBINFHSA-N 0 3 222.292 0.909 20 0 BCADHN CCc1cc(NCCN2CC[C@@H](O)C2)ncn1 ZINC000624678864 411767846 /nfs/dbraw/zinc/76/78/46/411767846.db2.gz RXIOTPOLJMPCOC-LLVKDONJSA-N 0 3 236.319 0.518 20 0 BCADHN CCOc1cc(N[C@H](CO)CN(C)C)ncn1 ZINC000663910112 411771338 /nfs/dbraw/zinc/77/13/38/411771338.db2.gz FUFHOHLZMZKTMC-VIFPVBQESA-N 0 3 240.307 0.210 20 0 BCADHN CCSCCNCCS(=O)(=O)N(C)C ZINC000336685880 170635949 /nfs/dbraw/zinc/63/59/49/170635949.db2.gz LHGBVGCBNOHLOW-UHFFFAOYSA-N 0 3 240.394 0.221 20 0 BCADHN C[C@H](CO)[C@@H]1CCCCN1CC(=O)N1CCC1 ZINC000661434643 411774401 /nfs/dbraw/zinc/77/44/01/411774401.db2.gz HUDYSEPEWLEBAP-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H]1COC2(CCC2)CN1CCc1c[nH]nn1 ZINC000661462298 411780616 /nfs/dbraw/zinc/78/06/16/411780616.db2.gz HUAMMDUGDUXKBA-SNVBAGLBSA-N 0 3 236.319 0.991 20 0 BCADHN CN(CC1CC1)C(=O)CN[C@@H](CO)C1CCC1 ZINC000661151423 411720489 /nfs/dbraw/zinc/72/04/89/411720489.db2.gz GWCFWZSDHGSDCN-LBPRGKRZSA-N 0 3 240.347 0.605 20 0 BCADHN O=c1cc(CN[C@H](CO)C2CCC2)occ1O ZINC000661153012 411720719 /nfs/dbraw/zinc/72/07/19/411720719.db2.gz DXLCPOVSGIRNIR-SNVBAGLBSA-N 0 3 239.271 0.596 20 0 BCADHN CCNc1nccnc1N(C)CCN(C)C ZINC000663679044 411721210 /nfs/dbraw/zinc/72/12/10/411721210.db2.gz AOZOKZJAXWTVSY-UHFFFAOYSA-N 0 3 223.324 0.906 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](OC)C1CC1)N(C)C ZINC000358189935 170664026 /nfs/dbraw/zinc/66/40/26/170664026.db2.gz VWKOEBWAZNAJQH-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN O=C(CN[C@@H](CO)C1CCC1)N1CCCCC1 ZINC000661156388 411722229 /nfs/dbraw/zinc/72/22/29/411722229.db2.gz UNUHVVUKUZEEHV-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)CCCO)N(C)C ZINC000305115923 170665776 /nfs/dbraw/zinc/66/57/76/170665776.db2.gz HYBJVGGXKOYGDA-UWVGGRQHSA-N 0 3 216.325 0.604 20 0 BCADHN COC[C@H](NCc1c[nH]cn1)C1CCOCC1 ZINC000661160000 411723475 /nfs/dbraw/zinc/72/34/75/411723475.db2.gz VRYIUJIMNDVUAK-LBPRGKRZSA-N 0 3 239.319 0.941 20 0 BCADHN COC[C@H](NCc1cnc[nH]1)C1CCOCC1 ZINC000661160000 411723478 /nfs/dbraw/zinc/72/34/78/411723478.db2.gz VRYIUJIMNDVUAK-LBPRGKRZSA-N 0 3 239.319 0.941 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1[C@@H]2COC[C@@H]21)N(CC)CC ZINC000357970592 170666922 /nfs/dbraw/zinc/66/69/22/170666922.db2.gz REPXGRRVDYMENA-WHOHXGKFSA-N 0 3 240.347 0.868 20 0 BCADHN CC(C)N1CCCC[C@H]1Cn1ncn(C)c1=O ZINC000664000245 411809215 /nfs/dbraw/zinc/80/92/15/411809215.db2.gz ZYJPWQBMYRXQGG-NSHDSACASA-N 0 3 238.335 0.845 20 0 BCADHN CN(C[C@@H]1COCCO1)CC1(O)CCC1 ZINC000661606432 411811040 /nfs/dbraw/zinc/81/10/40/411811040.db2.gz TYNFFJNZCIGREK-SNVBAGLBSA-N 0 3 215.293 0.249 20 0 BCADHN Cn1cc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)cn1 ZINC000661600764 411812567 /nfs/dbraw/zinc/81/25/67/411812567.db2.gz ODQDBDPJDAFWOJ-NWDGAFQWSA-N 0 3 248.330 0.521 20 0 BCADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@@H](C)C1O ZINC000661621483 411812862 /nfs/dbraw/zinc/81/28/62/411812862.db2.gz NDIHCNZCYAEVLY-RKDXNWHRSA-N 0 3 214.309 0.023 20 0 BCADHN Cc1noc(-c2ccc(NCCN(C)C)nc2)n1 ZINC000378402571 411813204 /nfs/dbraw/zinc/81/32/04/411813204.db2.gz MJLNKYXAHSHITP-UHFFFAOYSA-N 0 3 247.302 1.414 20 0 BCADHN CN(CCc1cnn(C)c1)C[C@@H]1COCCO1 ZINC000661606042 411813595 /nfs/dbraw/zinc/81/35/95/411813595.db2.gz RFMXPDXLDCAAMF-GFCCVEGCSA-N 0 3 239.319 0.310 20 0 BCADHN CN(CCCCO)C[C@H]1COCCO1 ZINC000661602591 411814039 /nfs/dbraw/zinc/81/40/39/411814039.db2.gz DDYUFOPZGAYXQK-JTQLQIEISA-N 0 3 203.282 0.106 20 0 BCADHN CC[C@H](O)CN(C)C[C@H]1COCCO1 ZINC000661603087 411814373 /nfs/dbraw/zinc/81/43/73/411814373.db2.gz GFLOFKGBBCMJKZ-UWVGGRQHSA-N 0 3 203.282 0.105 20 0 BCADHN COC[C@H](C)N1CCC(c2nnc(N)o2)CC1 ZINC000639724511 411865667 /nfs/dbraw/zinc/86/56/67/411865667.db2.gz NMTYEICOXGJVCO-QMMMGPOBSA-N 0 3 240.307 0.866 20 0 BCADHN CC(C)[C@@H](O)CN(C)C[C@@H]1COCCO1 ZINC000661613348 411815553 /nfs/dbraw/zinc/81/55/53/411815553.db2.gz XXUHGFXGKLWPTF-MNOVXSKESA-N 0 3 217.309 0.351 20 0 BCADHN CN(C[C@@H]1COCCO1)[C@@H]1COC(C)(C)C1 ZINC000661613349 411816608 /nfs/dbraw/zinc/81/66/08/411816608.db2.gz IUJWDJTWEYCQRN-WDEREUQCSA-N 0 3 229.320 0.901 20 0 BCADHN C[C@@H](CN(C)C)Nc1ccc2c(n1)C(=O)CC2 ZINC000641604461 411817361 /nfs/dbraw/zinc/81/73/61/411817361.db2.gz PALCCUCQDFGLLI-VIFPVBQESA-N 0 3 233.315 1.573 20 0 BCADHN CCC[C@@H](O)CN(C)C[C@@H]1COCCO1 ZINC000661614068 411817472 /nfs/dbraw/zinc/81/74/72/411817472.db2.gz NLLAATHVEIQKBV-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN COC[C@H](C)N1CCC[C@H](c2nnc(N)o2)C1 ZINC000639821586 411866049 /nfs/dbraw/zinc/86/60/49/411866049.db2.gz WLKINNZFHYSGKD-IUCAKERBSA-N 0 3 240.307 0.866 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H](C)[C@H]1O ZINC000661627946 411823973 /nfs/dbraw/zinc/82/39/73/411823973.db2.gz RRDHZKQTFSGGSZ-YTWAJWBKSA-N 0 3 226.320 0.214 20 0 BCADHN O=C1NCCC[C@H]1N1CCC[C@@](O)(C2CC2)C1 ZINC000661628054 411823984 /nfs/dbraw/zinc/82/39/84/411823984.db2.gz SVAZYANXKVHWOJ-YPMHNXCESA-N 0 3 238.331 0.502 20 0 BCADHN COC[C@@H](C)N1CCC[C@H](c2nnc(N)o2)C1 ZINC000639821584 411866281 /nfs/dbraw/zinc/86/62/81/411866281.db2.gz WLKINNZFHYSGKD-BDAKNGLRSA-N 0 3 240.307 0.866 20 0 BCADHN C[C@]12COC[C@@H]1CN(Cc1c[nH]cn1)C2 ZINC000661698879 411834595 /nfs/dbraw/zinc/83/45/95/411834595.db2.gz BKXUSAJNCJDBAO-ONGXEEELSA-N 0 3 207.277 0.878 20 0 BCADHN C[C@]12COC[C@@H]1CN(Cc1cnc[nH]1)C2 ZINC000661698879 411834598 /nfs/dbraw/zinc/83/45/98/411834598.db2.gz BKXUSAJNCJDBAO-ONGXEEELSA-N 0 3 207.277 0.878 20 0 BCADHN C[C@@]12COC[C@H]1CN(Cc1c[nH]nn1)C2 ZINC000661704156 411835840 /nfs/dbraw/zinc/83/58/40/411835840.db2.gz OPOAUHFWRVCZEO-PSASIEDQSA-N 0 3 208.265 0.273 20 0 BCADHN C[C@@]12COC[C@@H]1CN(CC(=O)N1CCCC1)C2 ZINC000661698214 411845762 /nfs/dbraw/zinc/84/57/62/411845762.db2.gz FTOSKUSPSVEUJJ-WCQYABFASA-N 0 3 238.331 0.577 20 0 BCADHN CCNC(=O)CN1C[C@H]2COC[C@]2(C)C1 ZINC000661699452 411846130 /nfs/dbraw/zinc/84/61/30/411846130.db2.gz VNFNUSPVKKNLJX-ONGXEEELSA-N 0 3 212.293 0.091 20 0 BCADHN CO[C@H](C)CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000661702575 411847724 /nfs/dbraw/zinc/84/77/24/411847724.db2.gz XZODWGMGRLYGCH-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN CCN(CC)C(=O)CN1C[C@@H]2COC[C@]2(C)C1 ZINC000661701347 411847884 /nfs/dbraw/zinc/84/78/84/411847884.db2.gz ZPSRDRQUJMHJKJ-YPMHNXCESA-N 0 3 240.347 0.823 20 0 BCADHN CC(C)(C)NC(=O)CN1C[C@H]2COC[C@]2(C)C1 ZINC000661705121 411849984 /nfs/dbraw/zinc/84/99/84/411849984.db2.gz ZTYBWSMNFGYBJW-GWCFXTLKSA-N 0 3 240.347 0.869 20 0 BCADHN CN1CCC[C@@H](N2CC[C@@]3(O)C[C@H]3C2)C1=O ZINC000661723087 411858741 /nfs/dbraw/zinc/85/87/41/411858741.db2.gz UFEVEUOZSWIWJM-HOSYDEDBSA-N 0 3 224.304 0.064 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)c1nccc(N)n1 ZINC000638856668 411859501 /nfs/dbraw/zinc/85/95/01/411859501.db2.gz QVNXRTFPWQMYFN-HTQZYQBOSA-N 0 3 237.307 0.234 20 0 BCADHN C[C@H]1CN(CCN2CC[C@@]3(O)C[C@H]3C2)CCO1 ZINC000661723617 411860081 /nfs/dbraw/zinc/86/00/81/411860081.db2.gz QORDTIFCEYSDQY-RWMBFGLXSA-N 0 3 240.347 0.164 20 0 BCADHN CC(C)(C)[C@@H](CO)NCc1ccc(N)nc1 ZINC000647537701 411862708 /nfs/dbraw/zinc/86/27/08/411862708.db2.gz BBRZUZHJRCUVLJ-SNVBAGLBSA-N 0 3 223.320 1.160 20 0 BCADHN Cn1cc(C[C@H]2CCC[C@@H]2NCC(N)=O)cn1 ZINC000661783998 411885210 /nfs/dbraw/zinc/88/52/10/411885210.db2.gz HNXZOQMUFBSHGL-MNOVXSKESA-N 0 3 236.319 0.206 20 0 BCADHN CC[C@H](O)CN1CCC(c2nnc(N)o2)CC1 ZINC000639724488 411885883 /nfs/dbraw/zinc/88/58/83/411885883.db2.gz NAFNNTBTKFJDDC-VIFPVBQESA-N 0 3 240.307 0.602 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2ccnc(N)c2)nn1 ZINC000641068542 411886195 /nfs/dbraw/zinc/88/61/95/411886195.db2.gz QDQLTXFCULEESS-LBPRGKRZSA-N 0 3 246.318 0.888 20 0 BCADHN CN1CCN(CCC2(O)CCC2)CCC1=O ZINC000661805280 411886906 /nfs/dbraw/zinc/88/69/06/411886906.db2.gz ZWBMMZDAAWDJIM-UHFFFAOYSA-N 0 3 226.320 0.456 20 0 BCADHN Nc1cc(CN2CC[C@]3(CNC(=O)C3)C2)ccn1 ZINC000333014539 411941924 /nfs/dbraw/zinc/94/19/24/411941924.db2.gz GOSTWULPKMVRRS-ZDUSSCGKSA-N 0 3 246.314 0.376 20 0 BCADHN CN1CCC[C@@H]1CN1CCc2cnc(N)nc2C1 ZINC000623292353 411890244 /nfs/dbraw/zinc/89/02/44/411890244.db2.gz KRODKYLJWDKBSB-LLVKDONJSA-N 0 3 247.346 0.511 20 0 BCADHN CO[C@@H](C)CN1CCC(c2nnc(N)o2)CC1 ZINC000639739227 411891716 /nfs/dbraw/zinc/89/17/16/411891716.db2.gz LNIYCVSNGPGUQU-QMMMGPOBSA-N 0 3 240.307 0.866 20 0 BCADHN CN(C(=O)CN[C@@H]1C[C@H](O)C12CCC2)C1CC1 ZINC000661830427 411894999 /nfs/dbraw/zinc/89/49/99/411894999.db2.gz HVLCQHUDSGJKCD-MNOVXSKESA-N 0 3 238.331 0.500 20 0 BCADHN O=C1NCCC[C@@H]1N[C@@H]1C[C@@H](O)C12CCC2 ZINC000661832107 411895444 /nfs/dbraw/zinc/89/54/44/411895444.db2.gz XDRQQLRZQDIKBS-IVZWLZJFSA-N 0 3 224.304 0.158 20 0 BCADHN O=C1NCCC[C@@H]1N[C@H]1C[C@@H](O)C12CCC2 ZINC000661832108 411896040 /nfs/dbraw/zinc/89/60/40/411896040.db2.gz XDRQQLRZQDIKBS-LPEHRKFASA-N 0 3 224.304 0.158 20 0 BCADHN CN1CC[C@H]2CCN(Cc3nccc(N)n3)C[C@@H]21 ZINC000378450164 411896810 /nfs/dbraw/zinc/89/68/10/411896810.db2.gz HHKSIVJTINRVAW-QWRGUYRKSA-N 0 3 247.346 0.585 20 0 BCADHN CO[C@H](C)CN1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639820643 411898224 /nfs/dbraw/zinc/89/82/24/411898224.db2.gz DCCKYONHVNLBGQ-RKDXNWHRSA-N 0 3 240.307 0.866 20 0 BCADHN CCN(CC)C(=O)CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000661843510 411899999 /nfs/dbraw/zinc/89/99/99/411899999.db2.gz YGQNWMQJEJXEPC-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H](c1nccc(N)n1)N(C)CCN(C)C1CC1 ZINC000583820302 411902197 /nfs/dbraw/zinc/90/21/97/411902197.db2.gz YSOWIANNZGFLNB-JTQLQIEISA-N 0 3 249.362 1.146 20 0 BCADHN C[C@@H]1CCN(CCn2cncn2)C[C@H](C)O1 ZINC000661852719 411903489 /nfs/dbraw/zinc/90/34/89/411903489.db2.gz FCVFXUHNBPOUGY-MNOVXSKESA-N 0 3 224.308 0.777 20 0 BCADHN COC(=O)C1(CNCc2cnc(N)s2)CC1 ZINC000381624017 411904467 /nfs/dbraw/zinc/90/44/67/411904467.db2.gz KAEZJZLIGOUXHB-UHFFFAOYSA-N 0 3 241.316 0.768 20 0 BCADHN C[C@@H]1CCN([C@H]2CCN(C)C2=O)C[C@H](C)O1 ZINC000661858487 411904909 /nfs/dbraw/zinc/90/49/09/411904909.db2.gz IOGFKWAXFZWKPA-VWYCJHECSA-N 0 3 226.320 0.716 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(N)nc1 ZINC000647537745 411905963 /nfs/dbraw/zinc/90/59/63/411905963.db2.gz FLIMNZDTIARKEU-LDYMZIIASA-N 0 3 234.303 0.278 20 0 BCADHN CC(C)OCCN1CCC(CO)(CO)C1 ZINC000661943023 411915940 /nfs/dbraw/zinc/91/59/40/411915940.db2.gz BLDPIDSFPGSTAA-UHFFFAOYSA-N 0 3 217.309 0.088 20 0 BCADHN CCCN1CC[C@H](NC(=O)N2CC(F)C2)C1 ZINC000661945629 411916676 /nfs/dbraw/zinc/91/66/76/411916676.db2.gz FHGJNMKIHJNEGX-JTQLQIEISA-N 0 3 229.299 0.834 20 0 BCADHN CC1(C)C[C@@H](N2CCC(CO)(CO)C2)CO1 ZINC000661953795 411918866 /nfs/dbraw/zinc/91/88/66/411918866.db2.gz SCTSWRGBFCSOOP-SNVBAGLBSA-N 0 3 229.320 0.231 20 0 BCADHN C[C@H](O)CCN1CCC(c2nnc(N)o2)CC1 ZINC000639724900 411921688 /nfs/dbraw/zinc/92/16/88/411921688.db2.gz QZNBCLAFIANXST-QMMMGPOBSA-N 0 3 240.307 0.602 20 0 BCADHN O=C1NCCN1CCN1CC[C@@H]2C[C@@H]2C1 ZINC000661967621 411925705 /nfs/dbraw/zinc/92/57/05/411925705.db2.gz QLELUEMXDLKYLP-NXEZZACHSA-N 0 3 209.293 0.353 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2ccc(N)nc2)C1 ZINC000638127360 411928169 /nfs/dbraw/zinc/92/81/69/411928169.db2.gz VGBURIVAGWCOQB-JTQLQIEISA-N 0 3 248.330 0.735 20 0 BCADHN NS(=O)(=O)CCCN1CC[C@@H]2C[C@@H]2C1 ZINC000661972216 411928619 /nfs/dbraw/zinc/92/86/19/411928619.db2.gz JIBIHHYZANIHBI-RKDXNWHRSA-N 0 3 218.322 0.007 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H]2COC[C@H]2C1 ZINC000662034381 411943332 /nfs/dbraw/zinc/94/33/32/411943332.db2.gz CDSXGYDYJWWZAJ-WDEREUQCSA-N 0 3 226.320 0.433 20 0 BCADHN Nc1ncc2c(n1)CN(C[C@@H]1CCOC1)CC2 ZINC000623292967 411933513 /nfs/dbraw/zinc/93/35/13/411933513.db2.gz HHSDXBVODCNWAT-VIFPVBQESA-N 0 3 234.303 0.453 20 0 BCADHN Cc1[nH]ncc1CN(C)Cc1nccc(N)n1 ZINC000639970843 411937512 /nfs/dbraw/zinc/93/75/12/411937512.db2.gz LNHWLQXDBFESBG-UHFFFAOYSA-N 0 3 232.291 0.722 20 0 BCADHN Nc1ncc2c(n1)CN([C@@H]1CCCC[C@H]1O)CC2 ZINC000623294443 411938297 /nfs/dbraw/zinc/93/82/97/411938297.db2.gz CFRJZUYLRABCHE-VXGBXAGGSA-N 0 3 248.330 0.720 20 0 BCADHN CC[C@@H](CO)NCc1cnn(CCOC)c1 ZINC000275823707 170840700 /nfs/dbraw/zinc/84/07/00/170840700.db2.gz NFFQDPJEGHSSLV-NSHDSACASA-N 0 3 227.308 0.390 20 0 BCADHN C[C@H](O)[C@H]1CCCN1CCn1ccccc1=O ZINC000661764387 411872809 /nfs/dbraw/zinc/87/28/09/411872809.db2.gz CWOOYAFHNGYPHB-NWDGAFQWSA-N 0 3 236.315 0.694 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1C[C@@H](O)C(F)(F)F ZINC000661765351 411876121 /nfs/dbraw/zinc/87/61/21/411876121.db2.gz NKWNJRMJHJLLLC-BWZBUEFSSA-N 0 3 227.226 0.755 20 0 BCADHN CC[C@H](O)CN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662006457 411941586 /nfs/dbraw/zinc/94/15/86/411941586.db2.gz CDYYSFZNPRAOMQ-QWRGUYRKSA-N 0 3 243.351 0.445 20 0 BCADHN CN(Cc1ccc(N)nc1)CC1(CO)CC1 ZINC000647537787 411882140 /nfs/dbraw/zinc/88/21/40/411882140.db2.gz KLFBOTOYKPFQHY-UHFFFAOYSA-N 0 3 221.304 0.868 20 0 BCADHN CO[C@@H](C)[C@H](C)NC1CN(C(C)=O)C1 ZINC000568238917 322929546 /nfs/dbraw/zinc/92/95/46/322929546.db2.gz FYHASZHSFPEAHQ-YUMQZZPRSA-N 0 3 200.282 0.230 20 0 BCADHN Cc1nc(N)nc(N2CC[C@@H]3CCN(C)C[C@H]32)n1 ZINC000631199832 411964443 /nfs/dbraw/zinc/96/44/43/411964443.db2.gz VRBYCTUMDYJROM-VHSXEESVSA-N 0 3 248.334 0.293 20 0 BCADHN O=C1CCCN1C[C@@H]1CCN([C@@H]2CCOC2)C1 ZINC000662055913 411968015 /nfs/dbraw/zinc/96/80/15/411968015.db2.gz WKLRZCRCXHFLLT-VXGBXAGGSA-N 0 3 238.331 0.720 20 0 BCADHN Cc1nc(N)nc(N[C@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000631157950 411969028 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YDDXCWIHNHPAOH-WDEREUQCSA-N 0 3 230.352 0.851 20 0 BCADHN CC[C@H](C(=O)NCCN(CC)C1CC1)[C@H](C)O ZINC000357582467 171228611 /nfs/dbraw/zinc/22/86/11/171228611.db2.gz LEDJBESKHCWJMY-JQWIXIFHSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCCN1CC)[C@@H](C)O ZINC000357621218 171229366 /nfs/dbraw/zinc/22/93/66/171229366.db2.gz NIZQUVUTOXTWLE-WOPDTQHZSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)CO)N(C)C ZINC000305171164 171229419 /nfs/dbraw/zinc/22/94/19/171229419.db2.gz FEFVJCKIFRJLLC-RKDXNWHRSA-N 0 3 202.298 0.071 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](COC)OC)N(C)C ZINC000358375814 171229448 /nfs/dbraw/zinc/22/94/48/171229448.db2.gz LDCHWXKGAFPYJM-VHSXEESVSA-N 0 3 232.324 0.104 20 0 BCADHN CC[C@H](C(=O)NC[C@@](C)(O)C1CC1)N(C)C ZINC000331745077 171229606 /nfs/dbraw/zinc/22/96/06/171229606.db2.gz HOZVXYCVIXGFLN-ZYHUDNBSSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)NC[C@H](C)N(C)C1CC1)[C@@H](C)O ZINC000357593896 171229998 /nfs/dbraw/zinc/22/99/98/171229998.db2.gz CALLSOJULFJSAY-UMNHJUIQSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@H](C(=O)NCc1cncnc1N)N(C)C ZINC000270232045 171230338 /nfs/dbraw/zinc/23/03/38/171230338.db2.gz MKBHZHKUAFZRPJ-SECBINFHSA-N 0 3 237.307 0.015 20 0 BCADHN CC[C@H](C(=O)NCc1noc(C)n1)N(C)C ZINC000125242291 171230547 /nfs/dbraw/zinc/23/05/47/171230547.db2.gz WHOOQBZOZSFBKR-MRVPVSSYSA-N 0 3 226.280 0.334 20 0 BCADHN CC[C@H](C(=O)NC[C@](C)(O)CSC)N(C)C ZINC000125290527 171231249 /nfs/dbraw/zinc/23/12/49/171231249.db2.gz PQQBXMOYYKUGBZ-KOLCDFICSA-N 0 3 248.392 0.557 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H](C)O ZINC000357576671 171231871 /nfs/dbraw/zinc/23/18/71/171231871.db2.gz CIHRQKIQLVXOCQ-FOGDFJRCSA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1CO)N(C)C ZINC000331359033 171232186 /nfs/dbraw/zinc/23/21/86/171232186.db2.gz VYIJUVATQDFEIH-QJPTWQEYSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)N[C@H]1[C@@H]2COC[C@@H]21)N(C)C ZINC000357921512 171232646 /nfs/dbraw/zinc/23/26/46/171232646.db2.gz ANANLHMTRYONDF-RGOKHQFPSA-N 0 3 212.293 0.088 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)CCO)N(C)C ZINC000121049666 171233147 /nfs/dbraw/zinc/23/31/47/171233147.db2.gz GCXWYXFWAXCFAX-RKDXNWHRSA-N 0 3 202.298 0.214 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)[C@H]1CCOC1)N(C)C ZINC000337117355 171233163 /nfs/dbraw/zinc/23/31/63/171233163.db2.gz UUKIIIYSBKDOBT-OUAUKWLOSA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCN(C2CC2)C1)N(C)C ZINC000338272776 171233705 /nfs/dbraw/zinc/23/37/05/171233705.db2.gz UNRHWIFEWOVOOU-CMPLNLGQSA-N 0 3 239.363 0.680 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCCC[C@H]1O)N(C)C ZINC000305433523 171234245 /nfs/dbraw/zinc/23/42/45/171234245.db2.gz GIASQOLHRJJWSR-HBNTYKKESA-N 0 3 228.336 0.746 20 0 BCADHN CC[C@H](C(=O)OC)N1CCCN(C)CC1 ZINC000341573708 171240386 /nfs/dbraw/zinc/24/03/86/171240386.db2.gz MOYFNZAPIYLWAN-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H](COC)C1 ZINC000112990875 171244362 /nfs/dbraw/zinc/24/43/62/171244362.db2.gz QWBQHJAKLCISEI-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000378448024 171244717 /nfs/dbraw/zinc/24/47/17/171244717.db2.gz CPOUSYPUQPDJAX-AXFHLTTASA-N 0 3 225.336 0.276 20 0 BCADHN CC[C@H](C)CN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000374934424 171280410 /nfs/dbraw/zinc/28/04/10/171280410.db2.gz UQZBYNGMCIOLQI-VHSXEESVSA-N 0 3 234.365 0.785 20 0 BCADHN CC[C@H](C)CN1CCN(CC(N)=O)CC1 ZINC000118965348 171280634 /nfs/dbraw/zinc/28/06/34/171280634.db2.gz NNKIOFAYXOSNQY-JTQLQIEISA-N 0 3 213.325 0.135 20 0 BCADHN CC[C@H](C)N(CCO)CC(=O)N1CCCC1 ZINC000336654778 171314449 /nfs/dbraw/zinc/31/44/49/171314449.db2.gz KIVKMDNRDLEPBS-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN CC[C@H](C)NC(=O)CN(C)CCN1CCCC1 ZINC000340845926 171324044 /nfs/dbraw/zinc/32/40/44/171324044.db2.gz ZKFSLGNNUJKMNW-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@@H](C)[C@@H]1CO ZINC000227189687 171325795 /nfs/dbraw/zinc/32/57/95/171325795.db2.gz YIGROOSFTHYTLJ-VWYCJHECSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C)NC(=O)N[C@H]1CCN(CCOC)C1 ZINC000341454356 171330341 /nfs/dbraw/zinc/33/03/41/171330341.db2.gz MRRZGSKLLIWXIL-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N(C)CC1CC(O)C1 ZINC000091490669 171333930 /nfs/dbraw/zinc/33/39/30/171333930.db2.gz JENUCNTVGOEIAZ-JYBOHDQNSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@H](C)NCc1cn(CC(=O)OC)nn1 ZINC000090707810 171343831 /nfs/dbraw/zinc/34/38/31/171343831.db2.gz VNVFVBVQMGIXIC-QMMMGPOBSA-N 0 3 226.280 0.339 20 0 BCADHN CC[C@H](C)[C@@H](C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358086164 171359742 /nfs/dbraw/zinc/35/97/42/171359742.db2.gz ZEGCUTAVPQLRNI-DMDPSCGWSA-N 0 3 242.363 0.851 20 0 BCADHN CCc1cc(=O)[n-]c(CN(C)CC(C)(C)[NH3+])n1 ZINC000662293187 412081614 /nfs/dbraw/zinc/08/16/14/412081614.db2.gz QEKWMPQOGIIFTR-UHFFFAOYSA-N 0 3 238.335 0.914 20 0 BCADHN CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CCN(C)CC1 ZINC000665074306 412081784 /nfs/dbraw/zinc/08/17/84/412081784.db2.gz LFHKVSVQAXCFAD-GDNZZTSVSA-N 0 3 238.331 0.431 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(C)CC[C@@H](C)O ZINC000162331617 171369367 /nfs/dbraw/zinc/36/93/67/171369367.db2.gz OOEBSKDFSSCKGP-IVZWLZJFSA-N 0 3 216.325 0.589 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(C)Cc1noc(C)n1 ZINC000125526323 171370131 /nfs/dbraw/zinc/37/01/31/171370131.db2.gz OMBWCYAVBJOKCQ-OIBJUYFYSA-N 0 3 240.307 0.710 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(C)C[C@@H](C)C(=O)OC ZINC000037823498 171370151 /nfs/dbraw/zinc/37/01/51/171370151.db2.gz UHFKHRJOOSFLCM-IVZWLZJFSA-N 0 3 244.335 0.627 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@H](CC)C1 ZINC000036770002 171370258 /nfs/dbraw/zinc/37/02/58/171370258.db2.gz OYWFTSUSJONIDI-HBNTYKKESA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCC[C@@H](O)C(C)C ZINC000353215708 171370510 /nfs/dbraw/zinc/37/05/10/171370510.db2.gz UCIPQUUOKMLACD-HBNTYKKESA-N 0 3 230.352 0.883 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCNC(=O)C(C)C ZINC000040806641 171370530 /nfs/dbraw/zinc/37/05/30/171370530.db2.gz DUAGPHUPHZHJLE-VHSXEESVSA-N 0 3 243.351 0.248 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCn1cc(C)cn1 ZINC000182223582 171370637 /nfs/dbraw/zinc/37/06/37/171370637.db2.gz CSBWWGNJVDDXKK-WDEREUQCSA-N 0 3 238.335 0.681 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)Cn1cncn1 ZINC000353506094 171370887 /nfs/dbraw/zinc/37/08/87/171370887.db2.gz KEJZBEIWCUYVOM-LPEHRKFASA-N 0 3 239.323 0.156 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)C1CCN(C)CC1 ZINC000355080352 171376644 /nfs/dbraw/zinc/37/66/44/171376644.db2.gz FCLLWUPECXKPRN-JQWIXIFHSA-N 0 3 242.363 0.851 20 0 BCADHN CN1CC(=O)N(CCN2CC3CC2(C)C3)C1=O ZINC000662385703 412138639 /nfs/dbraw/zinc/13/86/39/412138639.db2.gz BMGYXNXPSGFKJW-UHFFFAOYSA-N 0 3 237.303 0.365 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000034689331 171393816 /nfs/dbraw/zinc/39/38/16/171393816.db2.gz ZTHGUAKPECKDKM-GUBZILKMSA-N 0 3 241.335 0.084 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCCC1 ZINC000124062351 171394126 /nfs/dbraw/zinc/39/41/26/171394126.db2.gz GNLLKTSSNFQKOG-ONGXEEELSA-N 0 3 241.335 0.098 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@H](C)C1 ZINC000371568241 171394301 /nfs/dbraw/zinc/39/43/01/171394301.db2.gz HQARYGHNKZCGJL-VWYCJHECSA-N 0 3 228.336 0.855 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCO[C@H](C)C1 ZINC000036998919 171394504 /nfs/dbraw/zinc/39/45/04/171394504.db2.gz AWTYMFXBHLHMSY-AEJSXWLSSA-N 0 3 214.309 0.607 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)Cn1cncn1 ZINC000269658075 171395491 /nfs/dbraw/zinc/39/54/91/171395491.db2.gz KEJZBEIWCUYVOM-GUBZILKMSA-N 0 3 239.323 0.156 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1noc(C)n1 ZINC000158970297 171395856 /nfs/dbraw/zinc/39/58/56/171395856.db2.gz HIQJCJWUTSZCRE-RCOVLWMOSA-N 0 3 226.280 0.368 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1O ZINC000052009219 171396200 /nfs/dbraw/zinc/39/62/00/171396200.db2.gz MDVHGTSSERRUHG-MMWGEVLESA-N 0 3 228.336 0.780 20 0 BCADHN CC[C@H](COC)NC(=O)[C@@H](N)[C@@H](C)CC ZINC000070626209 171396367 /nfs/dbraw/zinc/39/63/67/171396367.db2.gz GISRZOVPSZBEPO-AEJSXWLSSA-N 0 3 216.325 0.901 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)Nc1cccn(C)c1=O ZINC000236922691 171397018 /nfs/dbraw/zinc/39/70/18/171397018.db2.gz PPHQMVCTMCKRCD-WPRPVWTQSA-N 0 3 237.303 0.697 20 0 BCADHN CC[C@H](NC)C(=O)Nc1c[nH]ccc1=O ZINC000662386575 412140840 /nfs/dbraw/zinc/14/08/40/412140840.db2.gz KKOXBAUNSJFKJZ-ZETCQYMHSA-N 0 3 209.249 0.311 20 0 BCADHN CN(CC1=CCCOC1)C[C@H]1CNCCO1 ZINC000662305541 412086163 /nfs/dbraw/zinc/08/61/63/412086163.db2.gz IYRXSDRMKOSZPN-GFCCVEGCSA-N 0 3 226.320 0.253 20 0 BCADHN Cc1ccn([C@@H](C)CC(=O)NCCN(C)C)n1 ZINC000665112944 412099085 /nfs/dbraw/zinc/09/90/85/412099085.db2.gz XWKODWVJCUQWRJ-NSHDSACASA-N 0 3 238.335 0.820 20 0 BCADHN CCc1ccc(CC(=O)NCCN(C)C)nc1 ZINC000665111837 412099698 /nfs/dbraw/zinc/09/96/98/412099698.db2.gz IRGYWMTYDCGYDC-UHFFFAOYSA-N 0 3 235.331 0.864 20 0 BCADHN CN(C)CCNC(=O)[C@]12C[C@H]1COC2(C)C ZINC000665111484 412099753 /nfs/dbraw/zinc/09/97/53/412099753.db2.gz AYYFPIKPTLUMME-CABZTGNLSA-N 0 3 226.320 0.479 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CC[C@@H](F)[C@H](N)C1 ZINC000662322850 412100463 /nfs/dbraw/zinc/10/04/63/412100463.db2.gz UKAAQKQGVPUFJQ-OPRDCNLKSA-N 0 3 231.315 0.272 20 0 BCADHN Cc1cnc(CN2CC[C@@H](F)[C@H](N)C2)o1 ZINC000662321413 412100939 /nfs/dbraw/zinc/10/09/39/412100939.db2.gz CJUGNTBPWSMOBK-RKDXNWHRSA-N 0 3 213.256 0.854 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)N1CC[C@@H](F)[C@H](N)C1 ZINC000662320610 412100961 /nfs/dbraw/zinc/10/09/61/412100961.db2.gz CAXBLFNDGUKDJL-GWOFURMSSA-N 0 3 245.342 0.661 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H](F)[C@H](N)C1 ZINC000662321654 412101515 /nfs/dbraw/zinc/10/15/15/412101515.db2.gz CKNCQIBMUAZBMH-NXEZZACHSA-N 0 3 231.315 0.226 20 0 BCADHN CC(C)N1CC[C@H](N2CC[C@@H](F)[C@H](N)C2)C1=O ZINC000662325881 412102481 /nfs/dbraw/zinc/10/24/81/412102481.db2.gz RXMPZFXNZMLYOA-MXWKQRLJSA-N 0 3 243.326 0.367 20 0 BCADHN N[C@@H]1CN(Cc2cn3cccnc3n2)CC[C@H]1F ZINC000662324264 412103274 /nfs/dbraw/zinc/10/32/74/412103274.db2.gz SYXWULJSZFBSME-GHMZBOCLSA-N 0 3 249.293 0.600 20 0 BCADHN Cn1cncc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000662324343 412103391 /nfs/dbraw/zinc/10/33/91/412103391.db2.gz VMUPRWYEMIQTGB-NXEZZACHSA-N 0 3 212.272 0.291 20 0 BCADHN CC[C@H](C(N)=O)N(C)[C@H](CN)C(F)(F)F ZINC000662333059 412105804 /nfs/dbraw/zinc/10/58/04/412105804.db2.gz SUXLANPKQCTMON-PHDIDXHHSA-N 0 3 227.230 0.072 20 0 BCADHN CNC(=O)CNC1(COC)CCCCC1 ZINC000662337854 412107863 /nfs/dbraw/zinc/10/78/63/412107863.db2.gz VRDSEPRBKVBEGJ-UHFFFAOYSA-N 0 3 214.309 0.671 20 0 BCADHN CC[C@H](NC)C(=O)Nc1c(C)n[nH]c1C ZINC000662336949 412108380 /nfs/dbraw/zinc/10/83/80/412108380.db2.gz KEFUIMBXYLQYFJ-QMMMGPOBSA-N 0 3 210.281 0.963 20 0 BCADHN COCCNC(=O)c1cccc2c1CNC2 ZINC000662337165 412108499 /nfs/dbraw/zinc/10/84/99/412108499.db2.gz ODZSDFMQIQWDDE-UHFFFAOYSA-N 0 3 220.272 0.666 20 0 BCADHN CN(CCS(=O)(=O)N(C)C)C[C@H]1CC1(C)C ZINC000662344551 412113414 /nfs/dbraw/zinc/11/34/14/412113414.db2.gz QQPYWLQCZAMBOH-SNVBAGLBSA-N 0 3 248.392 0.856 20 0 BCADHN CCS(=O)(=O)NCCN(C)C[C@@H]1CC1(C)C ZINC000662345924 412115027 /nfs/dbraw/zinc/11/50/27/412115027.db2.gz MUYXTXGHBSWIPM-JTQLQIEISA-N 0 3 248.392 0.904 20 0 BCADHN CN1CCCN(C(=O)CCCF)CC1 ZINC000665161529 412115682 /nfs/dbraw/zinc/11/56/82/412115682.db2.gz DMSRLGOXWCSMGY-UHFFFAOYSA-N 0 3 202.273 0.900 20 0 BCADHN CN(CCNS(C)(=O)=O)C[C@H]1CC1(C)C ZINC000662346257 412115998 /nfs/dbraw/zinc/11/59/98/412115998.db2.gz QSQXVKXATYUWHC-SECBINFHSA-N 0 3 234.365 0.514 20 0 BCADHN CN1CCCN(C(=O)CCc2ccon2)CC1 ZINC000665160516 412116134 /nfs/dbraw/zinc/11/61/34/412116134.db2.gz IUNVCKDYQOBRBI-UHFFFAOYSA-N 0 3 237.303 0.771 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000134203058 412123425 /nfs/dbraw/zinc/12/34/25/412123425.db2.gz GUZANGGUPWGFSL-PWSUYJOCSA-N 0 3 241.335 0.241 20 0 BCADHN CC(=O)N[C@@H]1CCN(C(=O)[C@@H](N)CC(C)C)C1 ZINC000134214249 412127871 /nfs/dbraw/zinc/12/78/71/412127871.db2.gz IVMVFGXHNLSEJK-MNOVXSKESA-N 0 3 241.335 0.097 20 0 BCADHN CC(=O)N[C@H]1CCN(C(=O)[C@@H](N)CC(C)C)C1 ZINC000134214130 412128748 /nfs/dbraw/zinc/12/87/48/412128748.db2.gz IVMVFGXHNLSEJK-QWRGUYRKSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)NCC(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000662438771 412175377 /nfs/dbraw/zinc/17/53/77/412175377.db2.gz BIQIXMXNNVGDHV-JTQLQIEISA-N 0 3 241.335 0.110 20 0 BCADHN CC(C)NCC(=O)NCC1(C(N)=O)CCCC1 ZINC000662463469 412182743 /nfs/dbraw/zinc/18/27/43/412182743.db2.gz XARIWLOAARPKRZ-UHFFFAOYSA-N 0 3 241.335 0.146 20 0 BCADHN CN(C)[C@@H]1CCC[C@H]1Nc1nccn(C)c1=O ZINC000641662390 412195223 /nfs/dbraw/zinc/19/52/23/412195223.db2.gz CHUZIDYIKYWJHZ-NXEZZACHSA-N 0 3 236.319 0.675 20 0 BCADHN CN(C)[C@@]1(CNc2nncs2)CCSC1 ZINC000450361638 412195290 /nfs/dbraw/zinc/19/52/90/412195290.db2.gz DCWJBMZQKOKRDB-SECBINFHSA-N 0 3 244.389 1.387 20 0 BCADHN CN(C)c1nccc(NCC2(N(C)C)CC2)n1 ZINC000397865049 412200348 /nfs/dbraw/zinc/20/03/48/412200348.db2.gz QDZDWMSJGYAWQJ-UHFFFAOYSA-N 0 3 235.335 1.049 20 0 BCADHN C[C@H](CNc1ccc2c(n1)C(=O)CC2)N(C)C ZINC000641313467 412206776 /nfs/dbraw/zinc/20/67/76/412206776.db2.gz PFOVQXDQNRBDAL-SECBINFHSA-N 0 3 233.315 1.573 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000662542924 412207166 /nfs/dbraw/zinc/20/71/66/412207166.db2.gz RYWNZRTXHNDLEK-DCAQKATOSA-N 0 3 242.363 0.850 20 0 BCADHN CC[C@H](NC)C(=O)N1CCCN(CC)C(=O)C1 ZINC000662539988 412209856 /nfs/dbraw/zinc/20/98/56/412209856.db2.gz QETOSBRLPSPUBI-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CC(C)NCC(=O)Nc1nnc2n1CCCC2 ZINC000662543056 412210499 /nfs/dbraw/zinc/21/04/99/412210499.db2.gz REQCTRQHNVUVFF-UHFFFAOYSA-N 0 3 237.307 0.551 20 0 BCADHN CC[C@H](NC)C(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000662544726 412211119 /nfs/dbraw/zinc/21/11/19/412211119.db2.gz DHCGRLBWJWCFMK-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@H](NC)C(=O)Nc1c(C)c(C)nn1C ZINC000662546396 412211455 /nfs/dbraw/zinc/21/14/55/412211455.db2.gz JKFBXVUCGPIBPH-VIFPVBQESA-N 0 3 224.308 0.973 20 0 BCADHN CN(CCN1CCCC1)C(=O)Nc1ccon1 ZINC000350049631 412211905 /nfs/dbraw/zinc/21/19/05/412211905.db2.gz PXYMSLHUDCMADP-UHFFFAOYSA-N 0 3 238.291 1.234 20 0 BCADHN COCCNCCNC(=O)[C@@H]1CCC1(C)C ZINC000662550225 412212585 /nfs/dbraw/zinc/21/25/85/412212585.db2.gz FAROOSNQNPPIHH-JTQLQIEISA-N 0 3 228.336 0.775 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1ccc(=O)n(CC)c1 ZINC000662398336 412147259 /nfs/dbraw/zinc/14/72/59/412147259.db2.gz UNWRVYIERIXFCT-SNVBAGLBSA-N 0 3 237.303 0.805 20 0 BCADHN CN(C)C1(CNc2ccc(=O)n(C)n2)CCC1 ZINC000413252422 412153563 /nfs/dbraw/zinc/15/35/63/412153563.db2.gz WPRSHAYASMBLBN-UHFFFAOYSA-N 0 3 236.319 0.677 20 0 BCADHN CN(C)CC(C)(C)NC(=O)Nc1ccn(C)n1 ZINC000454662493 412155292 /nfs/dbraw/zinc/15/52/92/412155292.db2.gz QAIOVVDGTGEGHV-UHFFFAOYSA-N 0 3 239.323 0.882 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CC3(CCC3)C2)CCN1 ZINC000662419078 412159790 /nfs/dbraw/zinc/15/97/90/412159790.db2.gz VVFFDHMPFDAZBT-SNVBAGLBSA-N 0 3 237.347 0.468 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC ZINC000662420724 412161616 /nfs/dbraw/zinc/16/16/16/412161616.db2.gz VELFPXBJLOVFQV-VGMNWLOBSA-N 0 3 229.324 0.014 20 0 BCADHN CN(C)CCNc1ccc2nc[nH]c(=O)c2n1 ZINC000641251633 412161715 /nfs/dbraw/zinc/16/17/15/412161715.db2.gz AVPIKQKWUWFXPO-UHFFFAOYSA-N 0 3 233.275 0.704 20 0 BCADHN C[C@@H]1C[C@H]1c1cc(NC(=O)[C@H]2CCN2)n[nH]1 ZINC000514600907 412162768 /nfs/dbraw/zinc/16/27/68/412162768.db2.gz VOHSAAJUEYLZFT-BWZBUEFSSA-N 0 3 220.276 0.834 20 0 BCADHN CC[C@H](NC)C(=O)Nc1ccc[nH]c1=O ZINC000662425829 412164973 /nfs/dbraw/zinc/16/49/73/412164973.db2.gz JAHCFYKEADXOIC-ZETCQYMHSA-N 0 3 209.249 0.724 20 0 BCADHN CN1CCN(C(=O)[C@@H]2CCC2(C)C)[C@H](CN)C1 ZINC000662430062 412168115 /nfs/dbraw/zinc/16/81/15/412168115.db2.gz UHWKKFBNCWWEQK-MNOVXSKESA-N 0 3 239.363 0.524 20 0 BCADHN CC[C@H](O)CCCNC(=O)C1CCN(C)CC1 ZINC000360311442 171554386 /nfs/dbraw/zinc/55/43/86/171554386.db2.gz VBGGKKGQBCDUHN-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cccc(N)c1 ZINC000665233481 412171987 /nfs/dbraw/zinc/17/19/87/412171987.db2.gz ITHQZOZOSLAQSC-QMMMGPOBSA-N 0 3 207.277 0.622 20 0 BCADHN CC[C@H](N)C(=O)NCCO[C@@H]1CC1(F)F ZINC000662645525 412255052 /nfs/dbraw/zinc/25/50/52/412255052.db2.gz JXXGOTURGJDUKT-NKWVEPMBSA-N 0 3 222.235 0.264 20 0 BCADHN CC[C@H](N)C(=O)N(C)CC1=CCCOC1 ZINC000662661580 412261034 /nfs/dbraw/zinc/26/10/34/412261034.db2.gz DGYVSXIYAQJALG-JTQLQIEISA-N 0 3 212.293 0.529 20 0 BCADHN CNCC(=O)Nc1cc(CCC(C)C)[nH]n1 ZINC000646518407 412289856 /nfs/dbraw/zinc/28/98/56/412289856.db2.gz JJRCXNOVUGZQKU-UHFFFAOYSA-N 0 3 224.308 1.156 20 0 BCADHN CN(CC1=CCCOC1)C(=O)C1(N)CCC1 ZINC000662663199 412262176 /nfs/dbraw/zinc/26/21/76/412262176.db2.gz YBMAJJYWCPNYQF-UHFFFAOYSA-N 0 3 224.304 0.673 20 0 BCADHN O=C(NCCn1ccnc1)C1(NC2CC2)CCC1 ZINC000662664335 412263190 /nfs/dbraw/zinc/26/31/90/412263190.db2.gz RRJIBWHXNVZRET-UHFFFAOYSA-N 0 3 248.330 0.674 20 0 BCADHN Cn1ncc(C2CC2)c1CNC(=O)C1(N)CCC1 ZINC000662666301 412265337 /nfs/dbraw/zinc/26/53/37/412265337.db2.gz KFBLIVXDFZDMHV-UHFFFAOYSA-N 0 3 248.330 0.795 20 0 BCADHN C[C@@H]1CCC[C@@H](CNC(=O)C2(N)CCC2)O1 ZINC000662667311 412266520 /nfs/dbraw/zinc/26/65/20/412266520.db2.gz VQDGYLZLILQGNP-ZJUUUORDSA-N 0 3 226.320 0.942 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCC(=O)N(C)CC1 ZINC000662694670 412267335 /nfs/dbraw/zinc/26/73/35/412267335.db2.gz ALPOWZBCRLCKRY-LBPRGKRZSA-N 0 3 241.335 0.195 20 0 BCADHN C[C@H]1C[C@@H](Nc2ccc(=O)n(C)n2)CN1C1CC1 ZINC000413180599 412268818 /nfs/dbraw/zinc/26/88/18/412268818.db2.gz DFKOUVFRTSEOID-VHSXEESVSA-N 0 3 248.330 0.817 20 0 BCADHN C[C@H]1C[C@H](Nc2ccc(=O)n(C)n2)CN1C1CC1 ZINC000413180598 412269654 /nfs/dbraw/zinc/26/96/54/412269654.db2.gz DFKOUVFRTSEOID-UWVGGRQHSA-N 0 3 248.330 0.817 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@@H](CCF)C1 ZINC000662686850 412270463 /nfs/dbraw/zinc/27/04/63/412270463.db2.gz AVJHFJDTPFPOQG-BDAKNGLRSA-N 0 3 202.273 0.932 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@H](CCF)C1 ZINC000662686851 412270787 /nfs/dbraw/zinc/27/07/87/412270787.db2.gz AVJHFJDTPFPOQG-DTWKUNHWSA-N 0 3 202.273 0.932 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)Cc1cn(C)nn1 ZINC000662688437 412271601 /nfs/dbraw/zinc/27/16/01/412271601.db2.gz MQKVKXMXPDMSQB-JTQLQIEISA-N 0 3 239.323 0.147 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1cn(C)nn1 ZINC000662689661 412272145 /nfs/dbraw/zinc/27/21/45/412272145.db2.gz VKMFHNDEYKZNTO-SCZZXKLOSA-N 0 3 239.323 0.147 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)Cc1cn(C)nn1 ZINC000662689663 412272199 /nfs/dbraw/zinc/27/21/99/412272199.db2.gz VKMFHNDEYKZNTO-WPRPVWTQSA-N 0 3 239.323 0.147 20 0 BCADHN C[C@]12COC[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)C2 ZINC000662690520 412272452 /nfs/dbraw/zinc/27/24/52/412272452.db2.gz OFTKLAPUEXSMLW-LAEOZQHASA-N 0 3 248.273 0.464 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000662692338 412273045 /nfs/dbraw/zinc/27/30/45/412273045.db2.gz WGVKSMRISKGFLN-FOGDFJRCSA-N 0 3 226.320 0.465 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662709957 412274015 /nfs/dbraw/zinc/27/40/15/412274015.db2.gz DWIAJVHHTZEECD-LPEHRKFASA-N 0 3 212.293 0.219 20 0 BCADHN O=C(C[C@@H]1CNCCO1)NCC1=CCCC1 ZINC000662706637 412277710 /nfs/dbraw/zinc/27/77/10/412277710.db2.gz DRVBDWBRUIJFFP-LLVKDONJSA-N 0 3 224.304 0.591 20 0 BCADHN CC1(C)C[C@]1(C)NC(=O)C[C@@H]1CNCCO1 ZINC000662708391 412278654 /nfs/dbraw/zinc/27/86/54/412278654.db2.gz WCXXJNNPBWNNLC-SKDRFNHKSA-N 0 3 226.320 0.670 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662713533 412280066 /nfs/dbraw/zinc/28/00/66/412280066.db2.gz XFSYQAMPINLXOM-GARJFASQSA-N 0 3 238.331 0.479 20 0 BCADHN CNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000336365640 412284317 /nfs/dbraw/zinc/28/43/17/412284317.db2.gz KELCDFXQYYMQOT-UHFFFAOYSA-N 0 3 237.307 0.901 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2cscn2)[C@H](C)CN1 ZINC000662763668 412285512 /nfs/dbraw/zinc/28/55/12/412285512.db2.gz CIOGOHUAQFZZBF-RKDXNWHRSA-N 0 3 239.344 0.894 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)[C@H](N)C1CCC1 ZINC000662584781 412230460 /nfs/dbraw/zinc/23/04/60/412230460.db2.gz GQCVSQVZNHFHAD-SNVBAGLBSA-N 0 3 222.292 0.496 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)C1(N)CCC1 ZINC000662584746 412230514 /nfs/dbraw/zinc/23/05/14/412230514.db2.gz FPRKUVOWCSLWSV-UHFFFAOYSA-N 0 3 208.265 0.250 20 0 BCADHN CS(=O)(=O)NCCN1CC[C@H](C2CCC2)C1 ZINC000665286308 412231064 /nfs/dbraw/zinc/23/10/64/412231064.db2.gz IZCLYIQNZNSKHT-NSHDSACASA-N 0 3 246.376 0.658 20 0 BCADHN CC[C@@H](COC)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665292080 412237825 /nfs/dbraw/zinc/23/78/25/412237825.db2.gz SDESJQJBAQLTQV-QMMMGPOBSA-N 0 3 240.307 0.156 20 0 BCADHN CO[C@H](CNC(=O)[C@H](N)C(C)C)[C@H]1CCOC1 ZINC000662616551 412243691 /nfs/dbraw/zinc/24/36/91/412243691.db2.gz LRFSTUKAVFUUJM-HBNTYKKESA-N 0 3 244.335 0.137 20 0 BCADHN CN1CCC[C@@H](CNc2cc(C#N)cnn2)C1 ZINC000396913279 412251622 /nfs/dbraw/zinc/25/16/22/412251622.db2.gz QQTCTUOTKYYZIO-JTQLQIEISA-N 0 3 231.303 1.102 20 0 BCADHN CC[C@H]1CN(C(=O)CNC)C[C@H](C)O1 ZINC000237039190 171650171 /nfs/dbraw/zinc/65/01/71/171650171.db2.gz MKLHWDBTPWLTLY-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN CC[C@H]1CN(C(=O)CN(CC)CC)C[C@H]1O ZINC000337479300 171650439 /nfs/dbraw/zinc/65/04/39/171650439.db2.gz VSWFXSASWCBFMI-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000662640720 412253577 /nfs/dbraw/zinc/25/35/77/412253577.db2.gz UNUQSYHAVZYXLY-JLLWLGSASA-N 0 3 226.320 0.609 20 0 BCADHN CC[C@@H](NC)C(=O)N[C@](CC)(C(N)=O)C(C)C ZINC000662800213 412305398 /nfs/dbraw/zinc/30/53/98/412305398.db2.gz QDIVQLBLFZQPLA-SKDRFNHKSA-N 0 3 243.351 0.391 20 0 BCADHN CC(C)NCC(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000662803554 412306448 /nfs/dbraw/zinc/30/64/48/412306448.db2.gz IVPZHOCGRRSKPD-WDEREUQCSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)NCC(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000662803391 412306487 /nfs/dbraw/zinc/30/64/87/412306487.db2.gz IVPZHOCGRRSKPD-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN CNc1ccc(C(=O)NCC2(N(C)C)CC2)cn1 ZINC000397975511 412309498 /nfs/dbraw/zinc/30/94/98/412309498.db2.gz OPZNFEHBKUNOCL-UHFFFAOYSA-N 0 3 248.330 0.947 20 0 BCADHN CCn1nccc1CNC(=O)CNC1CC1 ZINC000663001804 412366327 /nfs/dbraw/zinc/36/63/27/412366327.db2.gz YDVMYEWXCHKBEY-UHFFFAOYSA-N 0 3 222.292 0.271 20 0 BCADHN CNc1ccc(NC(=O)[C@H](C)NC)cn1 ZINC000578205412 412311809 /nfs/dbraw/zinc/31/18/09/412311809.db2.gz PQRPWCMUEXSIKV-ZETCQYMHSA-N 0 3 208.265 0.670 20 0 BCADHN CNc1ccc(NC(=O)[C@H](N)CC(F)F)cn1 ZINC000648143848 412311901 /nfs/dbraw/zinc/31/19/01/412311901.db2.gz UGCNXGFLDGQSMU-SSDOTTSWSA-N 0 3 244.245 1.044 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000663001296 412366451 /nfs/dbraw/zinc/36/64/51/412366451.db2.gz AOSQJVZBDIULJA-GMSGAONNSA-N 0 3 236.262 0.606 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C2(N)CC3(CCC3)C2)CO1 ZINC000662825612 412313111 /nfs/dbraw/zinc/31/31/11/412313111.db2.gz WNYYOKYFQOMDAF-UWVGGRQHSA-N 0 3 238.331 0.942 20 0 BCADHN Cn1cc(CNC(=O)C2(N)CC3(CCC3)C2)nn1 ZINC000662829481 412314386 /nfs/dbraw/zinc/31/43/86/412314386.db2.gz FHZMLMSUWJHTOS-UHFFFAOYSA-N 0 3 249.318 0.093 20 0 BCADHN Cn1cc(CNC(=O)C2(NC3CC3)CCC2)nn1 ZINC000662832336 412315077 /nfs/dbraw/zinc/31/50/77/412315077.db2.gz VBNTUMCRJFIGJT-UHFFFAOYSA-N 0 3 249.318 0.106 20 0 BCADHN CN(Cc1cnc[nH]1)C(=O)[C@@H]1CSCN1 ZINC000662838258 412316874 /nfs/dbraw/zinc/31/68/74/412316874.db2.gz FUNWYZBIMWUIMT-QMMMGPOBSA-N 0 3 226.305 0.031 20 0 BCADHN C[C@@H]1CN(C(=O)CN)C[C@](C)(C(F)F)O1 ZINC000663001842 412366629 /nfs/dbraw/zinc/36/66/29/412366629.db2.gz YSJXDTSRUGITTH-HZGVNTEJSA-N 0 3 222.235 0.216 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H](CO)C1CCC1 ZINC000662848932 412320635 /nfs/dbraw/zinc/32/06/35/412320635.db2.gz HWEULQXHZUJJBD-QWRGUYRKSA-N 0 3 228.336 0.637 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](CO)C1CCC1 ZINC000662849012 412322033 /nfs/dbraw/zinc/32/20/33/412322033.db2.gz JHZTYABDKWYGMF-ZYHUDNBSSA-N 0 3 228.336 0.781 20 0 BCADHN Cc1cc(NC(=O)/C=C\CN(C)C)nn1C ZINC000492205483 412322195 /nfs/dbraw/zinc/32/21/95/412322195.db2.gz VBXMXZUQJJHCHW-WAYWQWQTSA-N 0 3 222.292 0.785 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N[C@@H](CO)C1CCC1 ZINC000662851482 412323015 /nfs/dbraw/zinc/32/30/15/412323015.db2.gz AUWMVLZHKNPGDN-UWVGGRQHSA-N 0 3 226.320 0.262 20 0 BCADHN CC(C)c1nnc(NC[C@@H](C)N(C)C)o1 ZINC000450277464 412324211 /nfs/dbraw/zinc/32/42/11/412324211.db2.gz MLCHQDZISLATMY-MRVPVSSYSA-N 0 3 212.297 1.555 20 0 BCADHN C[C@H]1c2ccccc2C[C@H]1NC(=O)CN ZINC000662859093 412326272 /nfs/dbraw/zinc/32/62/72/412326272.db2.gz GIHHTGQEECXMOQ-GZMMTYOYSA-N 0 3 204.273 0.790 20 0 BCADHN O=C(NC/C=C\CO)c1cccc2c1CCNC2 ZINC000662858792 412326446 /nfs/dbraw/zinc/32/64/46/412326446.db2.gz IEYOYROWTXVAPY-UPHRSURJSA-N 0 3 246.310 0.611 20 0 BCADHN CC(C)C1(CNC(=O)COC2(C)CNC2)CC1 ZINC000219036101 412329154 /nfs/dbraw/zinc/32/91/54/412329154.db2.gz ARQQEMWHORNFCF-UHFFFAOYSA-N 0 3 240.347 0.917 20 0 BCADHN CNCC(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000663000786 412367081 /nfs/dbraw/zinc/36/70/81/412367081.db2.gz MJNLYMMYPKIKOH-OIBJUYFYSA-N 0 3 236.262 0.477 20 0 BCADHN NCC(=O)NCc1cnccc1C(F)(F)F ZINC000663002524 412367115 /nfs/dbraw/zinc/36/71/15/412367115.db2.gz PYGVYCLOYTYAIT-UHFFFAOYSA-N 0 3 233.193 0.675 20 0 BCADHN C[C@]12COC[C@H]1CN(C(=O)[C@H]1CCCCN1)C2 ZINC000662880362 412334802 /nfs/dbraw/zinc/33/48/02/412334802.db2.gz KGCUIZPRFZKBFZ-WZRBSPASSA-N 0 3 238.331 0.623 20 0 BCADHN COc1ccc(N(C)C(=O)[C@H]2CCN2)cn1 ZINC000662896826 412338251 /nfs/dbraw/zinc/33/82/51/412338251.db2.gz CKCJXXNQCIIQKS-SECBINFHSA-N 0 3 221.260 0.415 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000662907933 412342090 /nfs/dbraw/zinc/34/20/90/412342090.db2.gz RGCBTVSMCGDKBL-CMPLNLGQSA-N 0 3 226.320 0.753 20 0 BCADHN CC1(C)CCCN[C@@H]1C(=O)NCCOCCF ZINC000663005343 412367460 /nfs/dbraw/zinc/36/74/60/412367460.db2.gz TXWPETQJBIEBMZ-SNVBAGLBSA-N 0 3 246.326 0.867 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCOCCF ZINC000663004869 412367515 /nfs/dbraw/zinc/36/75/15/412367515.db2.gz SFVPHQRVALDFLC-JTQLQIEISA-N 0 3 220.288 0.606 20 0 BCADHN CCCCc1cc(NC(=O)[C@H]2CCN2)n[nH]1 ZINC000582001115 412345634 /nfs/dbraw/zinc/34/56/34/412345634.db2.gz XTVOVHYXUWKLSB-SECBINFHSA-N 0 3 222.292 1.053 20 0 BCADHN CC[C@](C)(O)CNCc1c(C)cnn1C ZINC000308955199 171702750 /nfs/dbraw/zinc/70/27/50/171702750.db2.gz QITFVMNWTQLWLP-NSHDSACASA-N 0 3 211.309 0.979 20 0 BCADHN CCN1CCC(NC(=O)[C@@H](COC)OC)CC1 ZINC000665530037 412348433 /nfs/dbraw/zinc/34/84/33/412348433.db2.gz ACBLCUKFZGTWES-LLVKDONJSA-N 0 3 244.335 0.248 20 0 BCADHN CCN1CCC(NC(=O)[C@@H](O)C2CC2)CC1 ZINC000665530071 412348706 /nfs/dbraw/zinc/34/87/06/412348706.db2.gz BERKYUKRHRNJIB-NSHDSACASA-N 0 3 226.320 0.358 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H](C)c1nccn1C ZINC000662934736 412349303 /nfs/dbraw/zinc/34/93/03/412349303.db2.gz QBUOGICFVRDHIE-RKDXNWHRSA-N 0 3 224.308 0.581 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H](C)c1nccn1C ZINC000662934735 412349558 /nfs/dbraw/zinc/34/95/58/412349558.db2.gz QBUOGICFVRDHIE-IUCAKERBSA-N 0 3 224.308 0.581 20 0 BCADHN N[C@@H]1CN(C(=O)Cc2ccncc2)CC[C@H]1F ZINC000662945372 412351099 /nfs/dbraw/zinc/35/10/99/412351099.db2.gz OFHNOSNQTQDBMO-GHMZBOCLSA-N 0 3 237.278 0.522 20 0 BCADHN C[C@@H](N)C(=O)N(C)CC1=CCSC1 ZINC000662951039 412352080 /nfs/dbraw/zinc/35/20/80/412352080.db2.gz GVLJUXCKJBOLCB-SSDOTTSWSA-N 0 3 200.307 0.465 20 0 BCADHN CN[C@@H](C)C(=O)N(C)CC1=CCSC1 ZINC000662950715 412352251 /nfs/dbraw/zinc/35/22/51/412352251.db2.gz BMNVGMMAXZBKNW-QMMMGPOBSA-N 0 3 214.334 0.726 20 0 BCADHN COC(=O)c1nccnc1N[C@@H](C)CN(C)C ZINC000591943489 412352255 /nfs/dbraw/zinc/35/22/55/412352255.db2.gz ILJHAXAFSZAXHB-QMMMGPOBSA-N 0 3 238.291 0.625 20 0 BCADHN CCn1nccc1C(=O)NC[C@H](C)N(C)C ZINC000665551202 412360404 /nfs/dbraw/zinc/36/04/04/412360404.db2.gz NDYOPYIFRAZSDS-VIFPVBQESA-N 0 3 224.308 0.583 20 0 BCADHN Cc1cn(C)nc1NC(=O)[C@@H](N)C(C)C ZINC000662970490 412360719 /nfs/dbraw/zinc/36/07/19/412360719.db2.gz KHTWPRJRXIXPOP-QMMMGPOBSA-N 0 3 210.281 0.650 20 0 BCADHN Cc1cn(C)nc1NC(=O)[C@@H]1NCC1(C)C ZINC000662970313 412360894 /nfs/dbraw/zinc/36/08/94/412360894.db2.gz JBANADFHHPZUNZ-QMMMGPOBSA-N 0 3 222.292 0.665 20 0 BCADHN CN(C(=O)c1ccc[nH]1)[C@@H](CN)C(F)(F)F ZINC000662977112 412361581 /nfs/dbraw/zinc/36/15/81/412361581.db2.gz JBVZLENOKYZQNG-ZETCQYMHSA-N 0 3 235.209 0.976 20 0 BCADHN Cc1cc(NC(=O)N(C)CCN(C)C)nn1C ZINC000331259393 412361649 /nfs/dbraw/zinc/36/16/49/412361649.db2.gz IFYSNGQGLDOFDH-UHFFFAOYSA-N 0 3 239.323 0.754 20 0 BCADHN C[C@H]1CN(C(=O)C2(N)CC2)C[C@](C)(C(F)F)O1 ZINC000663001665 412365361 /nfs/dbraw/zinc/36/53/61/412365361.db2.gz XKWYPMHUNKVWON-OIBJUYFYSA-N 0 3 248.273 0.749 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)NCCOCCF)C1 ZINC000663003119 412365744 /nfs/dbraw/zinc/36/57/44/412365744.db2.gz JTMONENIKZQSHZ-VHSXEESVSA-N 0 3 232.299 0.477 20 0 BCADHN C[C@H](N)C(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC000662761265 412293656 /nfs/dbraw/zinc/29/36/56/412293656.db2.gz OGKFAVOIJJUYDC-IUCAKERBSA-N 0 3 236.319 0.677 20 0 BCADHN CNCC(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC000662761866 412293691 /nfs/dbraw/zinc/29/36/91/412293691.db2.gz RLPAZDZLQWIBFA-JTQLQIEISA-N 0 3 236.319 0.549 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCCc2n[nH]cc2C1 ZINC000662761717 412293957 /nfs/dbraw/zinc/29/39/57/412293957.db2.gz PBNYYGFHTDTJEB-NSHDSACASA-N 0 3 248.330 0.683 20 0 BCADHN CC(C)N(C)C[C@H](C)Nc1ccc(=O)n(C)n1 ZINC000413296100 412294959 /nfs/dbraw/zinc/29/49/59/412294959.db2.gz FFJBYWINYNERIP-JTQLQIEISA-N 0 3 238.335 0.921 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccn([C@H](C)COC)n1 ZINC000579852567 412295618 /nfs/dbraw/zinc/29/56/18/412295618.db2.gz QCMVUMUXIKEWAD-BDAKNGLRSA-N 0 3 240.307 0.637 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000568230206 412295857 /nfs/dbraw/zinc/29/58/57/412295857.db2.gz SLBOLZBRADOOER-LURJTMIESA-N 0 3 208.265 0.834 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)Cc1cscn1 ZINC000662771905 412297181 /nfs/dbraw/zinc/29/71/81/412297181.db2.gz BEFVPBIAKJKDKB-DTWKUNHWSA-N 0 3 239.344 0.894 20 0 BCADHN CN[C@H](C)C(=O)Nc1n[nH]c2cccc(F)c21 ZINC000563735152 412297246 /nfs/dbraw/zinc/29/72/46/412297246.db2.gz VHULMUSAVJJHSD-ZCFIWIBFSA-N 0 3 236.250 1.248 20 0 BCADHN Cc1nccnc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000662776111 412299433 /nfs/dbraw/zinc/29/94/33/412299433.db2.gz UYFPKSYWIVFSPB-WCBMZHEXSA-N 0 3 234.303 0.607 20 0 BCADHN Cc1cc(NC(=O)NCCN(C)C)nnc1C ZINC000354957697 412369419 /nfs/dbraw/zinc/36/94/19/412369419.db2.gz ZARSBFJCTHXMQB-UHFFFAOYSA-N 0 3 237.307 0.777 20 0 BCADHN Cc1cc(NC(=O)NC[C@@H]2C[C@H](F)CN2)no1 ZINC000623062118 412370846 /nfs/dbraw/zinc/37/08/46/412370846.db2.gz KONZVZGVKGQGPW-YUMQZZPRSA-N 0 3 242.254 0.805 20 0 BCADHN Cc1cc(NC(=O)NC[C@@H]2CNCCO2)no1 ZINC000623058067 412370895 /nfs/dbraw/zinc/37/08/95/412370895.db2.gz PDKNBVZNNBXETI-QMMMGPOBSA-N 0 3 240.263 0.093 20 0 BCADHN CC12CC(C1)CN2C(=O)CNC[C@@H]1CCCO1 ZINC000663017075 412371905 /nfs/dbraw/zinc/37/19/05/412371905.db2.gz MEPCVBVQQALXOF-AKJDGMEZSA-N 0 3 238.331 0.766 20 0 BCADHN CC1(C)CN(C(=O)CN)[C@H]1c1ccncc1 ZINC000663022661 412373369 /nfs/dbraw/zinc/37/33/69/412373369.db2.gz NPOYTJFKIKGIFE-NSHDSACASA-N 0 3 219.288 0.950 20 0 BCADHN CC1(C)CN(C(=O)CN)[C@@H]1[C@@H]1CCCO1 ZINC000663023199 412373606 /nfs/dbraw/zinc/37/36/06/412373606.db2.gz SWGOEVKGYJNKKW-WCBMZHEXSA-N 0 3 212.293 0.361 20 0 BCADHN CCN(C)CCNc1ccc2c(n1)CCC2=O ZINC000568686212 412373699 /nfs/dbraw/zinc/37/36/99/412373699.db2.gz NTUFWOWTHXNGSG-UHFFFAOYSA-N 0 3 233.315 1.574 20 0 BCADHN C[C@@H](CN1CCN(C(=O)CO)CC1)C(C)(C)C ZINC000671308412 487623776 /nfs/dbraw/zinc/62/37/76/487623776.db2.gz YEEXZXXEHZCWDG-NSHDSACASA-N 0 3 242.363 0.805 20 0 BCADHN CCc1nnc([C@H](C)N[C@@H]2CN(C)C[C@H]2C)[nH]1 ZINC000329135765 172007514 /nfs/dbraw/zinc/00/75/14/172007514.db2.gz CJZQYDGYVGVRQD-KXUCPTDWSA-N 0 3 237.351 0.968 20 0 BCADHN CCc1nnc([C@H](C)N[C@H]2CN(C)C[C@@H]2C)[nH]1 ZINC000329135761 172007625 /nfs/dbraw/zinc/00/76/25/172007625.db2.gz CJZQYDGYVGVRQD-GUBZILKMSA-N 0 3 237.351 0.968 20 0 BCADHN CCc1nc2n(n1)C[C@@H](N[C@@H]1CCNC1=O)CC2 ZINC000330344737 172014961 /nfs/dbraw/zinc/01/49/61/172014961.db2.gz DHXNOUJLUCHELR-DTWKUNHWSA-N 0 3 249.318 0.474 20 0 BCADHN CCc1nc2n(n1)C[C@H](NC1COC1)CC2 ZINC000367908393 172015067 /nfs/dbraw/zinc/01/50/67/172015067.db2.gz AWVZFXABTOKEKN-MRVPVSSYSA-N 0 3 222.292 0.144 20 0 BCADHN CCc1nnc(C)cc1C(=O)NCCN(C)C ZINC000273457797 172047060 /nfs/dbraw/zinc/04/70/60/172047060.db2.gz FSQQNUXAKIWPGW-UHFFFAOYSA-N 0 3 236.319 0.639 20 0 BCADHN CCc1nnc(NCCN(C)C)nc1CC ZINC000163152369 172059342 /nfs/dbraw/zinc/05/93/42/172059342.db2.gz CNHNOQWZGLTLKI-UHFFFAOYSA-N 0 3 223.324 0.970 20 0 BCADHN CCc1nnc(SCCN(C)C)n1N ZINC000192141192 172061386 /nfs/dbraw/zinc/06/13/86/172061386.db2.gz YFYPLCLZOKHVOK-UHFFFAOYSA-N 0 3 215.326 0.208 20 0 BCADHN CCc1nocc1CNCCN(CC)CCO ZINC000339354243 172100786 /nfs/dbraw/zinc/10/07/86/172100786.db2.gz LEAQSXCUHREFMI-UHFFFAOYSA-N 0 3 241.335 0.641 20 0 BCADHN CCc1ocnc1C(=O)NCCNCCOC ZINC000262140288 172121847 /nfs/dbraw/zinc/12/18/47/172121847.db2.gz PQTLYSJODAECMK-UHFFFAOYSA-N 0 3 241.291 0.203 20 0 BCADHN CCc1ocnc1C(=O)NCCN(C)CC ZINC000266061097 172121933 /nfs/dbraw/zinc/12/19/33/172121933.db2.gz VJXOHZHYPAAZMX-UHFFFAOYSA-N 0 3 225.292 0.919 20 0 BCADHN CCn1cc(CCN(C)CCOCCO)cn1 ZINC000286114438 172158465 /nfs/dbraw/zinc/15/84/65/172158465.db2.gz LTZCTOKJQAHGRY-UHFFFAOYSA-N 0 3 241.335 0.386 20 0 BCADHN CCn1cc(C2CCN(C(=O)CN)CC2)cn1 ZINC000236943230 172158953 /nfs/dbraw/zinc/15/89/53/172158953.db2.gz TZOWESWLAHTUSR-UHFFFAOYSA-N 0 3 236.319 0.568 20 0 BCADHN CCn1cc(CCN(C)[C@@H]2COC[C@H]2O)cn1 ZINC000285415674 172158965 /nfs/dbraw/zinc/15/89/65/172158965.db2.gz DIGHALAGGWVLGG-VXGBXAGGSA-N 0 3 239.319 0.137 20 0 BCADHN CCn1cc(CCN2CCC[C@H](O)C2)cn1 ZINC000276292541 172160651 /nfs/dbraw/zinc/16/06/51/172160651.db2.gz IENRGFVLLSDBNW-LBPRGKRZSA-N 0 3 223.320 0.902 20 0 BCADHN CCn1cc(CNCC2([S@@](C)=O)CC2)cn1 ZINC000282258829 172170057 /nfs/dbraw/zinc/17/00/57/172170057.db2.gz GYRHRXUANISIIM-MRXNPFEDSA-N 0 3 241.360 0.904 20 0 BCADHN CCn1cc(CNCC2(C(=O)OC)CC2)cn1 ZINC000188673283 172171115 /nfs/dbraw/zinc/17/11/15/172171115.db2.gz WTAYMXGWISXDQE-UHFFFAOYSA-N 0 3 237.303 0.946 20 0 BCADHN CCn1cc(CN[C@@H](C)CC(N)=O)cn1 ZINC000129424014 172171553 /nfs/dbraw/zinc/17/15/53/172171553.db2.gz UCEZHQRFBBOGQS-QMMMGPOBSA-N 0 3 210.281 0.257 20 0 BCADHN CCn1cc(CNC[C@@](C)(O)CCOC)cn1 ZINC000172069932 172172120 /nfs/dbraw/zinc/17/21/20/172172120.db2.gz FMTOWKOBEINLPK-LBPRGKRZSA-N 0 3 241.335 0.780 20 0 BCADHN CCn1cc(CNC[C@H](O)C2CC2)cn1 ZINC000070884562 172172215 /nfs/dbraw/zinc/17/22/15/172172215.db2.gz TYGFMFXULKWQTD-NSHDSACASA-N 0 3 209.293 0.764 20 0 BCADHN CCn1cc(CNC[C@]2(O)CCN(C)C2)cn1 ZINC000358171571 172172889 /nfs/dbraw/zinc/17/28/89/172172889.db2.gz UCNPVXWXNHUZIF-GFCCVEGCSA-N 0 3 238.335 0.059 20 0 BCADHN CCn1cc(CN[C@@H]2CN(C)C[C@@H]2C)cn1 ZINC000309954827 172173929 /nfs/dbraw/zinc/17/39/29/172173929.db2.gz HVBSKMSMBBNEDH-CMPLNLGQSA-N 0 3 222.336 0.943 20 0 BCADHN CCn1cc(NC(=O)/C=C/CN(C)C)ccc1=O ZINC000264666740 172178508 /nfs/dbraw/zinc/17/85/08/172178508.db2.gz XKGUKVGIGYBMCG-AATRIKPKSA-N 0 3 249.314 0.925 20 0 BCADHN CCn1cc(NC(=O)[C@H]2C[C@H](OC)CN2)cn1 ZINC000040631961 172184465 /nfs/dbraw/zinc/18/44/65/172184465.db2.gz MBKDTNINODHAAJ-VHSXEESVSA-N 0 3 238.291 0.218 20 0 BCADHN CCn1cc([C@@H](C)NCCOCCO)cn1 ZINC000044495540 172192562 /nfs/dbraw/zinc/19/25/62/172192562.db2.gz QLHMHPZSHFVXJW-SNVBAGLBSA-N 0 3 227.308 0.563 20 0 BCADHN CCn1cc([C@@H](C)NCC[C@@H](O)COC)cn1 ZINC000179539899 172192604 /nfs/dbraw/zinc/19/26/04/172192604.db2.gz VSNNIZDDBFHHTD-ZYHUDNBSSA-N 0 3 241.335 0.951 20 0 BCADHN CCn1cc([C@H](C)NCC[C@@H](O)COC)cn1 ZINC000179539911 172196523 /nfs/dbraw/zinc/19/65/23/172196523.db2.gz VSNNIZDDBFHHTD-CMPLNLGQSA-N 0 3 241.335 0.951 20 0 BCADHN CCn1cc([C@H](C)N[C@H](C)CC(N)=O)cn1 ZINC000160666472 172197869 /nfs/dbraw/zinc/19/78/69/172197869.db2.gz YFUOPJVBPMLSSY-BDAKNGLRSA-N 0 3 224.308 0.818 20 0 BCADHN CCn1nc(C)c(C(=O)N[C@@H](C)CN(C)C)n1 ZINC000294000553 172243066 /nfs/dbraw/zinc/24/30/66/172243066.db2.gz MGUPEHRQIVKVPW-QMMMGPOBSA-N 0 3 239.323 0.286 20 0 BCADHN CCn1nc(C)c(CN[C@H](C)CC(N)=O)c1C ZINC000307965003 172246640 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/nfs/dbraw/zinc/23/83/06/175238306.db2.gz AHZWZLRRPQRXRR-UHFFFAOYSA-N 0 3 247.302 0.910 20 0 BCADHN COc1cccc(C(=O)NCCN(C)C)c1O ZINC000019837304 175244437 /nfs/dbraw/zinc/24/44/37/175244437.db2.gz YVDAYOUCUYDVRH-UHFFFAOYSA-N 0 3 238.287 0.692 20 0 BCADHN COc1cccc(C(=O)N[C@@H](C)CC[NH3+])c1[O-] ZINC000050378005 175245153 /nfs/dbraw/zinc/24/51/53/175245153.db2.gz SBMMVRUINJKWFY-QMMMGPOBSA-N 0 3 238.287 0.868 20 0 BCADHN COc1cccc(CCNC(=O)[C@@H](C)N)c1 ZINC000153197076 175253127 /nfs/dbraw/zinc/25/31/27/175253127.db2.gz HGEMOEOWKAQPEI-SECBINFHSA-N 0 3 222.288 0.701 20 0 BCADHN COc1cccc(CN2C[C@@H](O)C[C@H]2CO)c1 ZINC000186478022 175261034 /nfs/dbraw/zinc/26/10/34/175261034.db2.gz GOFHKJJMVNIZBV-RYUDHWBXSA-N 0 3 237.299 0.623 20 0 BCADHN COc1cccc(CNC(=O)CN)c1OC ZINC000083353214 175262571 /nfs/dbraw/zinc/26/25/71/175262571.db2.gz KQNFOIMCZDDTRQ-UHFFFAOYSA-N 0 3 224.260 0.279 20 0 BCADHN COc1cccc(CNC(=O)[C@H](C)N)c1OC ZINC000083365684 175262649 /nfs/dbraw/zinc/26/26/49/175262649.db2.gz ZXGQRYUAOGSCIF-QMMMGPOBSA-N 0 3 238.287 0.667 20 0 BCADHN COc1cccc(CNC(C)(C)CC(N)=O)n1 ZINC000186210719 175263769 /nfs/dbraw/zinc/26/37/69/175263769.db2.gz HGKYJHHPCJXLME-UHFFFAOYSA-N 0 3 237.303 0.834 20 0 BCADHN COc1cccc(CN[C@H](C)CCO)n1 ZINC000133082007 175267529 /nfs/dbraw/zinc/26/75/29/175267529.db2.gz DJSNXNCFQRSCJB-SECBINFHSA-N 0 3 210.277 0.951 20 0 BCADHN COc1cccc(NC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000050456469 175277413 /nfs/dbraw/zinc/27/74/13/175277413.db2.gz IGCFZBLVYSRJIE-ZJUUUORDSA-N 0 3 206.245 0.981 20 0 BCADHN COc1cccc(NC(=O)[C@H]2C[C@H](O)CN2)c1 ZINC000020434412 175278607 /nfs/dbraw/zinc/27/86/07/175278607.db2.gz YDHSNGZHTUPXRM-GXSJLCMTSA-N 0 3 236.271 0.357 20 0 BCADHN COc1ccccc1CN1C[C@H](O)C[C@@H]1CO ZINC000370400039 175328959 /nfs/dbraw/zinc/32/89/59/175328959.db2.gz WUFPCGBWDMCTGT-VXGBXAGGSA-N 0 3 237.299 0.623 20 0 BCADHN COc1ccccc1N1CC[C@@H](NC(=O)CN)C1 ZINC000178830225 175336155 /nfs/dbraw/zinc/33/61/55/175336155.db2.gz UIUONYGHUSUZSV-SNVBAGLBSA-N 0 3 249.314 0.349 20 0 BCADHN COc1ccnc(N2CCN3CCC2CC3)n1 ZINC000302793191 175362774 /nfs/dbraw/zinc/36/27/74/175362774.db2.gz ZPDSRYHDVFAIOW-UHFFFAOYSA-N 0 3 234.303 0.770 20 0 BCADHN COc1cnc(C(=O)NC[C@@H](C)N(C)C)nc1 ZINC000338857199 175380939 /nfs/dbraw/zinc/38/09/39/175380939.db2.gz YDARPNDOIORLEG-MRVPVSSYSA-N 0 3 238.291 0.165 20 0 BCADHN COc1cncc(C(=O)NC[C@@H](C)N(C)C)n1 ZINC000276575400 175383295 /nfs/dbraw/zinc/38/32/95/175383295.db2.gz MLPCADCIBNFTPX-MRVPVSSYSA-N 0 3 238.291 0.165 20 0 BCADHN COc1ncc(CN[C@@H](CO)C(C)C)c(C)n1 ZINC000337180667 175398997 /nfs/dbraw/zinc/39/89/97/175398997.db2.gz AOPBCTZEBPLUDM-NSHDSACASA-N 0 3 239.319 0.900 20 0 BCADHN COc1ncc(CNC[C@@H](C)O)s1 ZINC000045205424 175399427 /nfs/dbraw/zinc/39/94/27/175399427.db2.gz NOZJXSVVKRCKOE-ZCFIWIBFSA-N 0 3 202.279 0.622 20 0 BCADHN CSCCN1CCC[C@]2(CNC(=O)O2)C1 ZINC000369030040 175495702 /nfs/dbraw/zinc/49/57/02/175495702.db2.gz JNKPWSCJGYWZIT-JTQLQIEISA-N 0 3 230.333 0.924 20 0 BCADHN CS[C@H](C)CNC(=O)N(C)CCN(C)C ZINC000337723477 175561218 /nfs/dbraw/zinc/56/12/18/175561218.db2.gz KNEMTIRSHWIPRL-SECBINFHSA-N 0 3 233.381 0.941 20 0 BCADHN C[C@@H](CCN(C)C)Nc1nccn(C)c1=O ZINC000061752106 175671125 /nfs/dbraw/zinc/67/11/25/175671125.db2.gz LPGKUVJWIJMGLD-VIFPVBQESA-N 0 3 224.308 0.532 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000358534224 175696751 /nfs/dbraw/zinc/69/67/51/175696751.db2.gz VIDZBIPCHZNHLJ-GARJFASQSA-N 0 3 241.335 0.509 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCOCC(F)F ZINC000346235884 175697396 /nfs/dbraw/zinc/69/73/96/175697396.db2.gz XYGXWYLERZEIIK-QMMMGPOBSA-N 0 3 238.278 0.725 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCOC1 ZINC000346219185 175697554 /nfs/dbraw/zinc/69/75/54/175697554.db2.gz KJYKPNUATHXBAT-DTWKUNHWSA-N 0 3 200.282 0.089 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCCOC1 ZINC000346179190 175698273 /nfs/dbraw/zinc/69/82/73/175698273.db2.gz GXUWHTWZWOOIRO-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccc(C(N)=O)cc1 ZINC000287339524 175698820 /nfs/dbraw/zinc/69/88/20/175698820.db2.gz YPFRHYXIVJPQAY-VIFPVBQESA-N 0 3 249.314 0.465 20 0 BCADHN C[C@@H](CO)NCc1cnn2ccccc12 ZINC000082425419 175756748 /nfs/dbraw/zinc/75/67/48/175756748.db2.gz LIDCUAAKSDFFFI-VIFPVBQESA-N 0 3 205.261 0.805 20 0 BCADHN C[C@@H](Cn1cccn1)N[C@H]1CCCNC1=O ZINC000309529166 175781463 /nfs/dbraw/zinc/78/14/63/175781463.db2.gz DBCOVQASSXGXJF-UWVGGRQHSA-N 0 3 222.292 0.140 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000037820104 175795199 /nfs/dbraw/zinc/79/51/99/175795199.db2.gz CRAPQGJSLXGRJW-RKDXNWHRSA-N 0 3 222.292 0.463 20 0 BCADHN C[C@@H](N)C(=O)NCC(=O)OCc1ccccc1 ZINC000039294296 175796986 /nfs/dbraw/zinc/79/69/86/175796986.db2.gz KEMPYSFDOHLRAH-SECBINFHSA-N 0 3 236.271 0.193 20 0 BCADHN C[C@@H](NC(=O)/C=C/CN(C)C)[C@H]1CCOC1 ZINC000266106279 175824132 /nfs/dbraw/zinc/82/41/32/175824132.db2.gz CHGVRKBZYWRJAR-ZJRFNNFUSA-N 0 3 226.320 0.645 20 0 BCADHN C[C@@H](NC(=O)c1ccccc1CN(C)C)C(N)=O ZINC000362457669 175850496 /nfs/dbraw/zinc/85/04/96/175850496.db2.gz QCGOIRCOOMETER-SECBINFHSA-N 0 3 249.314 0.352 20 0 BCADHN C[C@@H](N[C@H]1CCSC1)C(=O)NCCF ZINC000336672107 175927092 /nfs/dbraw/zinc/92/70/92/175927092.db2.gz ZPISIONSLUUSSV-SFYZADRCSA-N 0 3 220.313 0.556 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1C/C=C/Cl ZINC000295143889 176043682 /nfs/dbraw/zinc/04/36/82/176043682.db2.gz FEAVDAHZVOKODX-FCJGRKLLSA-N 0 3 238.696 0.146 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1[C@H]1C=CCCC1 ZINC000295417281 176043612 /nfs/dbraw/zinc/04/36/12/176043612.db2.gz TXBQEQZSPGFFOF-BDAKNGLRSA-N 0 3 244.316 0.502 20 0 BCADHN C[C@@H]1CC(=O)NCCN1CCCCCO ZINC000363460386 176049229 /nfs/dbraw/zinc/04/92/29/176049229.db2.gz CBTFCYOLBMWOCV-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN C[C@@H]1CCCCCN1CC(=O)NC(N)=O ZINC000334467353 176063244 /nfs/dbraw/zinc/06/32/44/176063244.db2.gz WEZXHVRDDDKAPO-MRVPVSSYSA-N 0 3 213.281 0.446 20 0 BCADHN C[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188191353 176094533 /nfs/dbraw/zinc/09/45/33/176094533.db2.gz APHIVHYEJAWSJK-KXUCPTDWSA-N 0 3 214.284 0.945 20 0 BCADHN C[C@@H]1CCCN1C(=O)CCN1CCC[C@H](O)C1 ZINC000304280914 176104805 /nfs/dbraw/zinc/10/48/05/176104805.db2.gz DPDPDYYCLSXVNM-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H]1CCCN1CCCS(=O)(=O)N(C)C ZINC000336644291 176108158 /nfs/dbraw/zinc/10/81/58/176108158.db2.gz FYHDGWMUTXGQAB-SNVBAGLBSA-N 0 3 234.365 0.752 20 0 BCADHN C[C@@H]1CCC[C@@H](C)N(CC(=O)NC(N)=O)C1 ZINC000125214886 176114369 /nfs/dbraw/zinc/11/43/69/176114369.db2.gz ZISVKKZBRDXBFU-RKDXNWHRSA-N 0 3 227.308 0.692 20 0 BCADHN C[C@@H]1CCC[C@@H](C)N1CCN1C(=O)CNC1=O ZINC000066531593 176115206 /nfs/dbraw/zinc/11/52/06/176115206.db2.gz XGJIFYZOAIQPGH-NXEZZACHSA-N 0 3 239.319 0.801 20 0 BCADHN C[C@@H]1CCC[C@@H](C)N1CC(=O)NC(N)=O ZINC000104078290 176115336 /nfs/dbraw/zinc/11/53/36/176115336.db2.gz IVDZSMNFYHZWEB-HTQZYQBOSA-N 0 3 213.281 0.444 20 0 BCADHN CCCN1CC[C@@H](NCc2ccn(C)n2)C1 ZINC000328231645 487632768 /nfs/dbraw/zinc/63/27/68/487632768.db2.gz DSYBTUHODNCLLP-GFCCVEGCSA-N 0 3 222.336 0.994 20 0 BCADHN CC(C(=O)NC[C@H]1CCC[C@H]1C)S(C)(=O)=O ZINC000339512968 176127317 /nfs/dbraw/zinc/12/73/17/176127317.db2.gz NXQHXISYMHFLSF-OPRDCNLKSA-N 0 3 247.360 0.972 20 0 BCADHN C[C@@H]1CCN(C(=O)C2(N)CCOCC2)C1 ZINC000149695510 176153728 /nfs/dbraw/zinc/15/37/28/176153728.db2.gz RLGNCTXQMNOTAS-SECBINFHSA-N 0 3 212.293 0.363 20 0 BCADHN C[C@@H]1CCN(C(=O)/C=C/CN(C)C)[C@@H]1CO ZINC000275976020 176153852 /nfs/dbraw/zinc/15/38/52/176153852.db2.gz JSBRMZZRBGIYSW-XKFHPXPTSA-N 0 3 226.320 0.334 20 0 BCADHN C[C@@H]1CCN(CCNS(C)(=O)=O)C[C@@H]1C ZINC000122810306 176170239 /nfs/dbraw/zinc/17/02/39/176170239.db2.gz QAHXBOYMEPNEHE-ZJUUUORDSA-N 0 3 234.365 0.514 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)COCC1CC1 ZINC000354007510 176166054 /nfs/dbraw/zinc/16/60/54/176166054.db2.gz QFOYTFYIYMVOPF-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1CCN(C)CCN1c1ccc2nnnn2n1 ZINC000354087406 176166159 /nfs/dbraw/zinc/16/61/59/176166159.db2.gz ZZVJMJQEZAQQTA-SECBINFHSA-N 0 3 247.306 0.050 20 0 BCADHN C[C@@H]1CCN(Cc2cncn2C)[C@H]1CO ZINC000248986687 176177547 /nfs/dbraw/zinc/17/75/47/176177547.db2.gz WLVMFLVODGVDRF-KOLCDFICSA-N 0 3 209.293 0.623 20 0 BCADHN C[C@@H]1CCN(Cc2cnn(C)c2)[C@@H]1CO ZINC000189717781 176177679 /nfs/dbraw/zinc/17/76/79/176177679.db2.gz TWDDHYUFTOXHEK-MWLCHTKSSA-N 0 3 209.293 0.623 20 0 BCADHN C[C@@H]1CCN(Cc2cnc3cnccn23)[C@@H]1CO ZINC000276695521 176178224 /nfs/dbraw/zinc/17/82/24/176178224.db2.gz DJZJWWSTRMVSKN-ZYHUDNBSSA-N 0 3 246.314 0.932 20 0 BCADHN C[C@@H]1CCN(S(=O)(=O)[C@@H]2CCCNC2)C1 ZINC000049644381 176179174 /nfs/dbraw/zinc/17/91/74/176179174.db2.gz AIUUGGRYMKIVKW-NXEZZACHSA-N 0 3 232.349 0.410 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCCOC1CCC1 ZINC000309515500 176183277 /nfs/dbraw/zinc/18/32/77/176183277.db2.gz YMMRNYNHFIMLJF-MWLCHTKSSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCCc1cnn(C)c1 ZINC000282466087 176184032 /nfs/dbraw/zinc/18/40/32/176184032.db2.gz UHELTKUKNPEIFG-KOLCDFICSA-N 0 3 236.319 0.077 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(CO)cc1 ZINC000193574225 176184332 /nfs/dbraw/zinc/18/43/32/176184332.db2.gz ZRFGRKUDKCKYTE-MFKMUULPSA-N 0 3 248.326 0.793 20 0 BCADHN C[C@@H]1CCO[C@H]1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000371242404 176193857 /nfs/dbraw/zinc/19/38/57/176193857.db2.gz GJFLFGYRRUEZAI-IJLUTSLNSA-N 0 3 238.331 0.718 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC(C)(O)C1 ZINC000336513905 176199120 /nfs/dbraw/zinc/19/91/20/176199120.db2.gz DOXFOEGQZOFSQH-NXEZZACHSA-N 0 3 226.320 0.452 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@](C)(O)C1 ZINC000361437785 176199192 /nfs/dbraw/zinc/19/91/92/176199192.db2.gz PRPVUSZDWFIXKF-NQBHXWOUSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000332031444 176199286 /nfs/dbraw/zinc/19/92/86/176199286.db2.gz VGQFVIXVPFTSMZ-UZWSLXQKSA-N 0 3 240.347 0.889 20 0 BCADHN C[C@@H]1CC[C@@H](CN2CCSC[C@H]2CO)O1 ZINC000354708044 176204425 /nfs/dbraw/zinc/20/44/25/176204425.db2.gz ATRVBUQWQZWSAS-MXWKQRLJSA-N 0 3 231.361 0.964 20 0 BCADHN C[C@@H]1CN(C(=O)CN)C[C@H](c2ccsc2)O1 ZINC000237420716 176246515 /nfs/dbraw/zinc/24/65/15/176246515.db2.gz LTFIQIHCAASOJY-PSASIEDQSA-N 0 3 240.328 0.995 20 0 BCADHN C[C@@H]1CN(C(=O)CN(C)C)CCN(C2CC2)C1 ZINC000336301790 176246667 /nfs/dbraw/zinc/24/66/67/176246667.db2.gz RAYOMAQHZLXHRT-NSHDSACASA-N 0 3 239.363 0.491 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1C[C@H](CO)[C@H](C)C1 ZINC000358510646 176252526 /nfs/dbraw/zinc/25/25/26/176252526.db2.gz WRQXXYQXKZPVDS-GMTAPVOTSA-N 0 3 243.351 0.206 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CCCN2C)[C@H](C)CN1C ZINC000352780015 176258214 /nfs/dbraw/zinc/25/82/14/176258214.db2.gz NOKOBPCFXUYQQI-IJLUTSLNSA-N 0 3 239.363 0.632 20 0 BCADHN C[C@@H]1CN(C(=O)c2cc[nH]n2)[C@H](C)CN1 ZINC000083118141 176260381 /nfs/dbraw/zinc/26/03/81/176260381.db2.gz SLPSQAPOKAHWIF-HTQZYQBOSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccn[nH]2)[C@H](C)CN1 ZINC000083118141 176260383 /nfs/dbraw/zinc/26/03/83/176260383.db2.gz SLPSQAPOKAHWIF-HTQZYQBOSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@@H]1CC[C@H]1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000669585657 487633577 /nfs/dbraw/zinc/63/35/77/487633577.db2.gz IAEJSVDWUTYTEW-OUAUKWLOSA-N 0 3 240.351 0.069 20 0 BCADHN C[C@@H]1CN(C(=O)c2cn[nH]c2)CCN(C2CC2)C1 ZINC000295285057 176264037 /nfs/dbraw/zinc/26/40/37/176264037.db2.gz ICCAXBLWBVSANU-JTQLQIEISA-N 0 3 248.330 0.966 20 0 BCADHN C[C@@H]1CN(C)CCN1CCn1cccn1 ZINC000334310287 176267381 /nfs/dbraw/zinc/26/73/81/176267381.db2.gz GCBYGKQTBFKZPS-LLVKDONJSA-N 0 3 208.309 0.519 20 0 BCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1nc[nH]n1 ZINC000358532813 176268949 /nfs/dbraw/zinc/26/89/49/176268949.db2.gz UAYHNXXAGZIXFW-BDAKNGLRSA-N 0 3 237.307 0.217 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1C(=O)NCCC[S@](C)=O ZINC000362770130 176272192 /nfs/dbraw/zinc/27/21/92/176272192.db2.gz QBJWVOXPCPIKDN-LSYCYVAJSA-N 0 3 246.376 0.069 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1N[C@@H]1CCCN(C)C1=O ZINC000336778682 176273806 /nfs/dbraw/zinc/27/38/06/176273806.db2.gz MADNVNHRFOZBGR-MXWKQRLJSA-N 0 3 225.336 0.147 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCc1cncn1C ZINC000309092938 176274587 /nfs/dbraw/zinc/27/45/87/176274587.db2.gz BVMOPLYOXLADTE-KOLCDFICSA-N 0 3 208.309 0.460 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1c1nc(Cn2cccn2)no1 ZINC000359925635 176274957 /nfs/dbraw/zinc/27/49/57/176274957.db2.gz SDNHDGFPPKLMAX-ZJUUUORDSA-N 0 3 247.302 0.980 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1C(=O)NCCC[S@@](C)=O ZINC000362770132 176275730 /nfs/dbraw/zinc/27/57/30/176275730.db2.gz QBJWVOXPCPIKDN-XIZWVBILSA-N 0 3 246.376 0.069 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1NCc1nnc(C2CC2)[nH]1 ZINC000333327191 176277365 /nfs/dbraw/zinc/27/73/65/176277365.db2.gz QLBBUWVTQPSTRR-PSASIEDQSA-N 0 3 235.335 0.722 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccnnc1 ZINC000270456710 176281615 /nfs/dbraw/zinc/28/16/15/176281615.db2.gz QBUKCJZXQRPVGX-BXKDBHETSA-N 0 3 246.314 0.689 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCCO1 ZINC000335158591 176281883 /nfs/dbraw/zinc/28/18/83/176281883.db2.gz VRUPGDBYNNNDCO-MWLCHTKSSA-N 0 3 239.319 0.816 20 0 BCADHN C[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1CO ZINC000362089388 176290772 /nfs/dbraw/zinc/29/07/72/176290772.db2.gz IHXPFZLXMJHJAR-GHMZBOCLSA-N 0 3 226.320 0.169 20 0 BCADHN C[C@@H]1CN(CCN(C)CC2(O)CCC2)CCO1 ZINC000337327792 176291185 /nfs/dbraw/zinc/29/11/85/176291185.db2.gz XVZDANBGRBZXMR-GFCCVEGCSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H]1CN(CCN2CCCC2=O)CC[C@@H]1O ZINC000336661561 176291570 /nfs/dbraw/zinc/29/15/70/176291570.db2.gz HQXYXPCGKHQZBH-MNOVXSKESA-N 0 3 226.320 0.312 20 0 BCADHN C[C@@H]1CN(CCN2CCNC2=O)C[C@@H](C)N1C ZINC000336890115 176291620 /nfs/dbraw/zinc/29/16/20/176291620.db2.gz MWTFIDWDLKRKTN-GHMZBOCLSA-N 0 3 240.351 0.036 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC(F)(F)F)C[C@H]1CO ZINC000362069132 176295207 /nfs/dbraw/zinc/29/52/07/176295207.db2.gz DRRNNRUOCODFRA-VGMNWLOBSA-N 0 3 241.253 0.860 20 0 BCADHN C[C@@H]1CN(CCn2cccn2)[C@H](C)CN1C ZINC000336437105 176296376 /nfs/dbraw/zinc/29/63/76/176296376.db2.gz VXMHQLBETHMGJS-VXGBXAGGSA-N 0 3 222.336 0.908 20 0 BCADHN C[C@H](CN1C[C@H](CO)[C@H](C)C1)CS(C)(=O)=O ZINC000362095669 176296600 /nfs/dbraw/zinc/29/66/00/176296600.db2.gz LPAKBPYMVKEWQN-GMTAPVOTSA-N 0 3 249.376 0.227 20 0 BCADHN C[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O ZINC000348305718 176296696 /nfs/dbraw/zinc/29/66/96/176296696.db2.gz ABERCPLFAJRBIY-KOLCDFICSA-N 0 3 209.293 0.275 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CN(C)C2CC2)C[C@@H](C)O1 ZINC000310246419 176296716 /nfs/dbraw/zinc/29/67/16/176296716.db2.gz DZFHCYKOMLOVDF-WZRBSPASSA-N 0 3 242.363 0.551 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CNCCO2)CCCO1 ZINC000061934655 176296998 /nfs/dbraw/zinc/29/69/98/176296998.db2.gz QSYNFAZARYNAOR-MNOVXSKESA-N 0 3 214.309 0.086 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCSC2)C[C@H](C(N)=O)O1 ZINC000365933057 176297042 /nfs/dbraw/zinc/29/70/42/176297042.db2.gz VPYLQOUCYSMWAF-KXUCPTDWSA-N 0 3 244.360 0.314 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C ZINC000339582938 176297639 /nfs/dbraw/zinc/29/76/39/176297639.db2.gz RAFSDNJWAOAICV-MXWKQRLJSA-N 0 3 246.376 0.608 20 0 BCADHN C[C@@H]1CN(C[C@@](C)(O)C(F)(F)F)C[C@H]1CO ZINC000337232389 176298809 /nfs/dbraw/zinc/29/88/09/176298809.db2.gz JKSVRKIWCNIOFL-HRDYMLBCSA-N 0 3 241.253 0.860 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CN(C)C2CC2)CCS1 ZINC000309365173 176298981 /nfs/dbraw/zinc/29/89/81/176298981.db2.gz DPCQEHAZQVLCCE-ZYHUDNBSSA-N 0 3 244.404 0.879 20 0 BCADHN C[C@@H]1CN(C[C@](C)(O)C(F)(F)F)C[C@@H]1O ZINC000337173801 176301012 /nfs/dbraw/zinc/30/10/12/176301012.db2.gz GOIKZQQBLIZLRD-CSMHCCOUSA-N 0 3 227.226 0.612 20 0 BCADHN C[C@@H]1CN([C@@H]2CCOC2)C[C@@H]1N1CCOCC1 ZINC000336705587 176315558 /nfs/dbraw/zinc/31/55/58/176315558.db2.gz NRNANJWPENGSPW-UPJWGTAASA-N 0 3 240.347 0.428 20 0 BCADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cn(C)cn1 ZINC000179443795 176323201 /nfs/dbraw/zinc/32/32/01/176323201.db2.gz KWPMHBDZAYVZKV-GHMZBOCLSA-N 0 3 248.330 0.729 20 0 BCADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cn[nH]c1 ZINC000247463286 176323344 /nfs/dbraw/zinc/32/33/44/176323344.db2.gz RAXYJBWMINYKBU-KOLCDFICSA-N 0 3 234.303 0.718 20 0 BCADHN C[C@@H]1COCCN(CCN2CCCOCC2)C1 ZINC000361327865 176332803 /nfs/dbraw/zinc/33/28/03/176332803.db2.gz CQKYRVXUFLIDBY-ZDUSSCGKSA-N 0 3 242.363 0.677 20 0 BCADHN C[C@@H]1COCCN(CCc2cnn(C)c2)C1 ZINC000336555446 176333347 /nfs/dbraw/zinc/33/33/47/176333347.db2.gz CGJAUFRYRMLKOO-NSHDSACASA-N 0 3 223.320 0.931 20 0 BCADHN C[C@@H]1COCCN1C(=O)NC[C@@H]1CCCN1C ZINC000120855239 176333704 /nfs/dbraw/zinc/33/37/04/176333704.db2.gz FGMIVPCCHOHXMZ-MNOVXSKESA-N 0 3 241.335 0.511 20 0 BCADHN C[C@@H]1COCCN1C(=O)NCCN(C)C1CC1 ZINC000352730459 176333737 /nfs/dbraw/zinc/33/37/37/176333737.db2.gz HTGPADWVKLKGCD-SNVBAGLBSA-N 0 3 241.335 0.511 20 0 BCADHN C[C@@H]1COCCN1CCN1CCCOCC1 ZINC000361392001 176335959 /nfs/dbraw/zinc/33/59/59/176335959.db2.gz RNGHTAGAKLAYCE-GFCCVEGCSA-N 0 3 228.336 0.429 20 0 BCADHN C[C@@H]1COCC[C@@H]1NC(=O)/C=C/CN(C)C ZINC000278494150 176339721 /nfs/dbraw/zinc/33/97/21/176339721.db2.gz LEZQQSMRIFBBCM-ZJRFNNFUSA-N 0 3 226.320 0.645 20 0 BCADHN C[C@@H]1CSC[C@@H]1NCC(=O)N1CCC1 ZINC000308559299 176352189 /nfs/dbraw/zinc/35/21/89/176352189.db2.gz DEHNEANHVASUMT-BDAKNGLRSA-N 0 3 214.334 0.560 20 0 BCADHN C[C@@H]1CSC[C@@H]1N[C@H]1CCC(=O)N(C)C1=O ZINC000304536878 176353870 /nfs/dbraw/zinc/35/38/70/176353870.db2.gz RRQXKCBJCLQINI-VGMNWLOBSA-N 0 3 242.344 0.475 20 0 BCADHN C[C@@H]1C[C@@H](CNC(=O)C(C)(C)N)CCO1 ZINC000335632256 176368495 /nfs/dbraw/zinc/36/84/95/176368495.db2.gz FLNLSTHXCDJDHI-BDAKNGLRSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCOC2)CCN1C ZINC000124629719 176371657 /nfs/dbraw/zinc/37/16/57/176371657.db2.gz DQUHRVULINFIKZ-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@](C)(O)C2CC2)CCN1C ZINC000341925546 176374193 /nfs/dbraw/zinc/37/41/93/176374193.db2.gz GGCAEQQPRCTRDC-CDMKHQONSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCOC2)CCN1C ZINC000357391132 176374479 /nfs/dbraw/zinc/37/44/79/176374479.db2.gz LMUXMUNTRREPHJ-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C(=O)NCCN(C)C1CC1 ZINC000331506175 176381080 /nfs/dbraw/zinc/38/10/80/176381080.db2.gz RJXUHCTZAXQRAU-MWLCHTKSSA-N 0 3 241.335 0.245 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CCN1CCCOCC1 ZINC000361344678 176382958 /nfs/dbraw/zinc/38/29/58/176382958.db2.gz BATUQMJPIFYXTH-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000306432968 176386507 /nfs/dbraw/zinc/38/65/07/176386507.db2.gz VHTYVICRJANABX-XGEHTFHBSA-N 0 3 200.257 0.459 20 0 BCADHN C[C@@H]1C[C@@H]1CC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000354380335 176387603 /nfs/dbraw/zinc/38/76/03/176387603.db2.gz FGIZVYFCMSXHPH-UTUOFQBUSA-N 0 3 240.347 0.822 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)[C@@H](N)CC(F)F ZINC000308466505 176394978 /nfs/dbraw/zinc/39/49/78/176394978.db2.gz HJRHXWSMGYEYDI-QYNIQEEDSA-N 0 3 206.236 0.741 20 0 BCADHN C[C@@H]1C[C@@H]1CN[C@H](CO)c1cnn(C)c1 ZINC000309142927 176397922 /nfs/dbraw/zinc/39/79/22/176397922.db2.gz UEXFSPUBWKOVDP-FXPVBKGRSA-N 0 3 209.293 0.699 20 0 BCADHN C[C@@H]1C[C@H]1CC(=O)NC[C@@](C)(O)CN(C)C ZINC000355388895 176434714 /nfs/dbraw/zinc/43/47/14/176434714.db2.gz USBPMUHEGBYABX-JFGNBEQYSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc(=O)[nH]c1 ZINC000262741812 176459694 /nfs/dbraw/zinc/45/96/94/176459694.db2.gz DUBSKJQNVYRGJM-DTWKUNHWSA-N 0 3 235.287 0.610 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000269049306 176610970 /nfs/dbraw/zinc/61/09/70/176610970.db2.gz IDQDKKLMKIYSAN-XTWCZFFVSA-N 0 3 234.299 0.498 20 0 BCADHN C[C@H](CN(C)C)NC(=O)CCCC(=O)N(C)C ZINC000346158752 176650075 /nfs/dbraw/zinc/65/00/75/176650075.db2.gz LFDREUBIRGNIJU-SNVBAGLBSA-N 0 3 243.351 0.311 20 0 BCADHN C[C@H](CNc1nccc(CO)n1)N(C)C ZINC000336753373 176688115 /nfs/dbraw/zinc/68/81/15/176688115.db2.gz HPWSUELLCVQTGF-MRVPVSSYSA-N 0 3 210.281 0.331 20 0 BCADHN C[C@H](CO)N1CCCN(Cc2cc[nH]n2)CC1 ZINC000364973762 176701471 /nfs/dbraw/zinc/70/14/71/176701471.db2.gz MQMGEOUQLRYZTD-LLVKDONJSA-N 0 3 238.335 0.298 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)N)c1nnc2ccccn21 ZINC000037018229 176751958 /nfs/dbraw/zinc/75/19/58/176751958.db2.gz FZYHREWARIOLJF-JGVFFNPUSA-N 0 3 233.275 0.254 20 0 BCADHN C[C@H](NC[C@]1(O)CCSC1)c1cnccn1 ZINC000309467125 176872734 /nfs/dbraw/zinc/87/27/34/176872734.db2.gz QDXVMCOIPUDJLR-GXSJLCMTSA-N 0 3 239.344 0.995 20 0 BCADHN C[C@H](O)C1CCN(CCN2CCCC2=O)CC1 ZINC000304073661 176947830 /nfs/dbraw/zinc/94/78/30/176947830.db2.gz WGNFFTIDZKHFIC-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)C(N)C(F)(F)F ZINC000352940844 176999550 /nfs/dbraw/zinc/99/95/50/176999550.db2.gz GRXXWJBWZFSHHW-ACZMJKKPSA-N 0 3 242.241 0.399 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1[C@@H]1CCCNC1=O ZINC000336682397 177002726 /nfs/dbraw/zinc/00/27/26/177002726.db2.gz RQDNPMCVJKWFPN-HBNTYKKESA-N 0 3 226.320 0.500 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1CC(=O)N1CCC1 ZINC000303430846 177002731 /nfs/dbraw/zinc/00/27/31/177002731.db2.gz BKFVKCNZTSSWBL-WDEREUQCSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@H](O)[C@H]1CCCCN1CCN1CCNC1=O ZINC000336672611 177013503 /nfs/dbraw/zinc/01/35/03/177013503.db2.gz BGOLWABGWIYMPZ-WDEREUQCSA-N 0 3 241.335 0.247 20 0 BCADHN C[C@H](O)[C@H]1CCN(CCN2CCCC2=O)C1 ZINC000305793482 177014712 /nfs/dbraw/zinc/01/47/12/177014712.db2.gz DPPCJVSNESZDDX-QWRGUYRKSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@H](c1ccccc1)N1C[C@H](O)[C@@H](O)C1 ZINC000235200262 177040577 /nfs/dbraw/zinc/04/05/77/177040577.db2.gz WHJCPLFLBSCWIC-USWWRNFRSA-N 0 3 207.273 0.785 20 0 BCADHN C[C@H](c1cccnc1)N1CCC[C@@](O)(C(N)=O)C1 ZINC000286319325 177045403 /nfs/dbraw/zinc/04/54/03/177045403.db2.gz VUNCVEIMHAYNGZ-MFKMUULPSA-N 0 3 249.314 0.455 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1[C@@H]1C=CCCC1 ZINC000295417286 177057914 /nfs/dbraw/zinc/05/79/14/177057914.db2.gz TXBQEQZSPGFFOF-DTWKUNHWSA-N 0 3 244.316 0.502 20 0 BCADHN C[C@H]1C(=O)NCCN1C[C@@H](O)CN(C)C1CC1 ZINC000328682327 177060035 /nfs/dbraw/zinc/06/00/35/177060035.db2.gz VQHXKUPRKYTCJL-ONGXEEELSA-N 0 3 241.335 0.102 20 0 BCADHN C[C@H](CNC(=O)NCCO)N1CCCC[C@@H]1C ZINC000337379533 177078309 /nfs/dbraw/zinc/07/83/09/177078309.db2.gz UEHDNDUIECGFGO-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H]1CCCN(CC(=O)N2CCNC2=O)CC1 ZINC000119707788 177095906 /nfs/dbraw/zinc/09/59/06/177095906.db2.gz DRKBPZTVKRTVSY-JTQLQIEISA-N 0 3 239.319 0.660 20 0 BCADHN C[C@H]1CCCN(CC(=O)N2CCOCC2)C1 ZINC000041362766 177096680 /nfs/dbraw/zinc/09/66/80/177096680.db2.gz BAQIGZLMGQCMQT-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN C[C@H]1CCCN(CCNC(=O)NCCCO)C1 ZINC000071922574 177098202 /nfs/dbraw/zinc/09/82/02/177098202.db2.gz UWLZZFUGNZQDJO-NSHDSACASA-N 0 3 243.351 0.400 20 0 BCADHN C[C@H]1CCC[C@@H](CO)N1CCn1cncn1 ZINC000336703703 177120232 /nfs/dbraw/zinc/12/02/32/177120232.db2.gz OJRKTYUAYFPMFO-QWRGUYRKSA-N 0 3 224.308 0.513 20 0 BCADHN C[C@H]1CCC[C@H](C)N1CCNS(N)(=O)=O ZINC000341205713 177131409 /nfs/dbraw/zinc/13/14/09/177131409.db2.gz HMFHFYPQZPEGSU-IUCAKERBSA-N 0 3 235.353 0.042 20 0 BCADHN C[C@H]1CN(CC(=O)N2CCOCC2)CC[C@@H]1C ZINC000122532380 177157628 /nfs/dbraw/zinc/15/76/28/177157628.db2.gz SNSRMEMQKZMKBR-RYUDHWBXSA-N 0 3 240.347 0.823 20 0 BCADHN C[C@H]1CCN(CCN2CCCC2=O)[C@H]1CO ZINC000336662336 177160031 /nfs/dbraw/zinc/16/00/31/177160031.db2.gz LGFDKOQACUOWNO-QWRGUYRKSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@H]1CCN(Cc2ccnn2C)[C@@H]1CO ZINC000190355833 177167134 /nfs/dbraw/zinc/16/71/34/177167134.db2.gz VGFDAIHUQCZTDE-GXSJLCMTSA-N 0 3 209.293 0.623 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCCN1CCNC1=O ZINC000329658824 177172779 /nfs/dbraw/zinc/17/27/79/177172779.db2.gz NUSSBYSHCOEKMA-DTWKUNHWSA-N 0 3 240.307 0.171 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCc1cc[nH]c1 ZINC000193698856 177173283 /nfs/dbraw/zinc/17/32/83/177173283.db2.gz FFNURIPEAICIHP-WCBMZHEXSA-N 0 3 207.277 0.629 20 0 BCADHN C[C@H]1CCNC[C@H]1NS(=O)(=O)CC(C)(C)C ZINC000070712134 177175489 /nfs/dbraw/zinc/17/54/89/177175489.db2.gz LEADKPIIBWDVNB-VHSXEESVSA-N 0 3 248.392 0.950 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H](CO)C1 ZINC000340313714 177185986 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/nfs/dbraw/zinc/65/99/94/487659994.db2.gz URNSSDYVXBWVHK-UHFFFAOYSA-N 0 3 228.317 0.325 20 0 BCADHN COC[C@H](O)CNCc1cccc(C)n1 ZINC000068891988 487664594 /nfs/dbraw/zinc/66/45/94/487664594.db2.gz UNIDTMJOMHMGQG-LLVKDONJSA-N 0 3 210.277 0.487 20 0 BCADHN CCOCC[C@@H](O)CN(C)C1(COC)CC1 ZINC000683522690 487667907 /nfs/dbraw/zinc/66/79/07/487667907.db2.gz BVUNOHRAIIURPC-LLVKDONJSA-N 0 3 231.336 0.885 20 0 BCADHN CC(C)NCC(=O)N(C)C[C@@H]1CCCOC1 ZINC000082545359 487671362 /nfs/dbraw/zinc/67/13/62/487671362.db2.gz JTSSEWPUABQXFO-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CCCCCC(=O)N1CCN(C)C[C@@H]1CN ZINC000087613520 487671499 /nfs/dbraw/zinc/67/14/99/487671499.db2.gz NOIUZCYMYPJELU-NSHDSACASA-N 0 3 227.352 0.668 20 0 BCADHN CCCCCC(=O)N1CCN(C)C[C@H]1CN ZINC000087613521 487671751 /nfs/dbraw/zinc/67/17/51/487671751.db2.gz NOIUZCYMYPJELU-LLVKDONJSA-N 0 3 227.352 0.668 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCCCC(=O)NC ZINC000398429587 262761264 /nfs/dbraw/zinc/76/12/64/262761264.db2.gz ZICKQCDHVDFADE-SCZZXKLOSA-N 0 3 229.324 0.002 20 0 BCADHN CC[C@H](O)CCCNC(=O)C[C@@H]1CNCCO1 ZINC000398474615 262762269 /nfs/dbraw/zinc/76/22/69/262762269.db2.gz SGNHUARACVUNIH-WDEREUQCSA-N 0 3 244.335 0.032 20 0 BCADHN CO[C@H]1C[C@@H](N(C)CCN2CCCC2=O)C1 ZINC000510132457 229294852 /nfs/dbraw/zinc/29/48/52/229294852.db2.gz LQBRSTBVSBBXBG-PHIMTYICSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000512422628 229343141 /nfs/dbraw/zinc/34/31/41/229343141.db2.gz WRQXXYQXKZPVDS-VWYCJHECSA-N 0 3 243.351 0.206 20 0 BCADHN Cc1cccc(C(=O)NC[C@@H](C)[NH3+])c1[O-] ZINC000082573735 487675809 /nfs/dbraw/zinc/67/58/09/487675809.db2.gz NYKWRJJFBBDZEH-MRVPVSSYSA-N 0 3 208.261 0.778 20 0 BCADHN C[C@@H](CO)CN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000669692862 487676553 /nfs/dbraw/zinc/67/65/53/487676553.db2.gz BVNBGMYMXBLWOP-WOPDTQHZSA-N 0 3 230.352 0.002 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)NCCO ZINC000675160736 487676648 /nfs/dbraw/zinc/67/66/48/487676648.db2.gz BZDWSWORGZMMRU-SNVBAGLBSA-N 0 3 229.324 0.152 20 0 BCADHN CO[C@@H](C)CN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000188127252 487679378 /nfs/dbraw/zinc/67/93/78/487679378.db2.gz IFUFEYUXBCEQOQ-DCAQKATOSA-N 0 3 249.376 0.967 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](C)c1ccccn1 ZINC000054072206 487681079 /nfs/dbraw/zinc/68/10/79/487681079.db2.gz QBDPJSZTWUAXLT-BDAKNGLRSA-N 0 3 207.277 0.867 20 0 BCADHN CC(C)NCC(=O)N(C)Cc1cnn(C)c1 ZINC000037800769 487681788 /nfs/dbraw/zinc/68/17/88/487681788.db2.gz RSNDNQHYLMCVQJ-UHFFFAOYSA-N 0 3 224.308 0.377 20 0 BCADHN CC1(OCC(=O)N2CCCCC2)CNC1 ZINC000163074470 487683403 /nfs/dbraw/zinc/68/34/03/487683403.db2.gz XPYBHHYUEFCRQQ-UHFFFAOYSA-N 0 3 212.293 0.377 20 0 BCADHN Cc1nc2c(cccc2C(=O)N2CCNCC2)[nH]1 ZINC000096985454 487685355 /nfs/dbraw/zinc/68/53/55/487685355.db2.gz HYBRVLFMJOAWGR-UHFFFAOYSA-N 0 3 244.298 0.917 20 0 BCADHN CN(CCO)CCNC(=O)C1(C)CCC1 ZINC000899734621 584231782 /nfs/dbraw/zinc/23/17/82/584231782.db2.gz NAKKBOYYQBQDJO-UHFFFAOYSA-N 0 3 214.309 0.217 20 0 BCADHN COc1cccc(C[C@@H](C)N[C@H](C)C(N)=O)n1 ZINC000683724428 487690650 /nfs/dbraw/zinc/69/06/50/487690650.db2.gz WNBSOIGFSIVMAF-RKDXNWHRSA-N 0 3 237.303 0.485 20 0 BCADHN CS(=O)(=O)CCCCN(CCCO)C1CC1 ZINC000675296145 487695068 /nfs/dbraw/zinc/69/50/68/487695068.db2.gz WDMVALAOJCPKNV-UHFFFAOYSA-N 0 3 249.376 0.658 20 0 BCADHN CC[C@](C)(N)c1cn(-c2cnn(C)c2)nn1 ZINC000384160663 487695728 /nfs/dbraw/zinc/69/57/28/487695728.db2.gz JUAKMSKIFOMFFN-JTQLQIEISA-N 0 3 220.280 0.585 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)C1(N)CCC1 ZINC000088051512 487696341 /nfs/dbraw/zinc/69/63/41/487696341.db2.gz ZGGZETVNQSTVCC-MRVPVSSYSA-N 0 3 200.282 0.001 20 0 BCADHN CC(C)N(CCO)CCCCS(C)(=O)=O ZINC000675298777 487696044 /nfs/dbraw/zinc/69/60/44/487696044.db2.gz AMEOGDGPTSUVLW-UHFFFAOYSA-N 0 3 237.365 0.514 20 0 BCADHN CC1(C)C[C@@H](N2CC[C@H](NC(N)=O)C2)CO1 ZINC000660149261 487696572 /nfs/dbraw/zinc/69/65/72/487696572.db2.gz HJWKGPOMXJOSLD-DTWKUNHWSA-N 0 3 227.308 0.297 20 0 BCADHN CC1(C)C[C@H](N2CC[C@@H](NC(N)=O)C2)CO1 ZINC000660149258 487696657 /nfs/dbraw/zinc/69/66/57/487696657.db2.gz HJWKGPOMXJOSLD-BDAKNGLRSA-N 0 3 227.308 0.297 20 0 BCADHN CN1CCC[C@@H](NC(=O)C2(N)CCC2)C1 ZINC000088050744 487696776 /nfs/dbraw/zinc/69/67/76/487696776.db2.gz RKBBSZOGTBCOFJ-SECBINFHSA-N 0 3 211.309 0.078 20 0 BCADHN CC(=O)NCCN(C)[C@H]1CCCOC1 ZINC000671704156 487697546 /nfs/dbraw/zinc/69/75/46/487697546.db2.gz KWUUUFRNVJHDRP-JTQLQIEISA-N 0 3 200.282 0.233 20 0 BCADHN CCOCCCNC(=O)[C@H](N)C1CCC1 ZINC000399176530 262777832 /nfs/dbraw/zinc/77/78/32/262777832.db2.gz HXEXAHQKSJTFNS-SNVBAGLBSA-N 0 3 214.309 0.657 20 0 BCADHN N[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)O2)C1CCC1 ZINC000399174070 262777979 /nfs/dbraw/zinc/77/79/79/262777979.db2.gz JEZUYBIDBBBYDF-OUAUKWLOSA-N 0 3 224.304 0.504 20 0 BCADHN CC(C)c1ncc2c(n1)CCN(C(=O)[C@H](C)N)C2 ZINC000527615141 262865927 /nfs/dbraw/zinc/86/59/27/262865927.db2.gz QKQIPFLIFOTNMT-VIFPVBQESA-N 0 3 248.330 0.832 20 0 BCADHN C[C@H](NC[C@@H](O)[C@@H]1CCCO1)c1ccnn1C ZINC000527959800 262899836 /nfs/dbraw/zinc/89/98/36/262899836.db2.gz YNCDYYLXJXCFCC-WCQGTBRESA-N 0 3 239.319 0.611 20 0 BCADHN C[C@@H](Cc1cnccn1)N[C@@H]1CCCN(C)C1=O ZINC000527964977 262900771 /nfs/dbraw/zinc/90/07/71/262900771.db2.gz WBSVRRDTIXFEFG-CMPLNLGQSA-N 0 3 248.330 0.618 20 0 BCADHN C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C(=O)N(C)C ZINC000528752418 262970171 /nfs/dbraw/zinc/97/01/71/262970171.db2.gz KKGZIQDFVAVOFD-XXFSISAASA-N 0 3 228.336 0.865 20 0 BCADHN CNCCNS(=O)(=O)c1cccc(OC)c1 ZINC000088121803 487701812 /nfs/dbraw/zinc/70/18/12/487701812.db2.gz DSDCZICOQBTPKV-UHFFFAOYSA-N 0 3 244.316 0.193 20 0 BCADHN CC(=O)CCC(=O)N1CC[C@H](CN(C)C)C1 ZINC000669704956 487701720 /nfs/dbraw/zinc/70/17/20/487701720.db2.gz SBJCDNYXSSRUGE-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN CC/C=C\CCN1CC[C@@H](S(=O)(=O)NC)C1 ZINC000681025878 487701800 /nfs/dbraw/zinc/70/18/00/487701800.db2.gz VIVJLCKGSCKXFT-DOGVGXBMSA-N 0 3 246.376 0.966 20 0 BCADHN Cc1c[nH]nc1C(=O)NC1CCN(C)CC1 ZINC000669593816 487703290 /nfs/dbraw/zinc/70/32/90/487703290.db2.gz TVPRESWQLWLHOY-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN CCN1CCN(C[C@@H](C)CO)[C@@H](C)C1 ZINC000671716465 487704004 /nfs/dbraw/zinc/70/40/04/487704004.db2.gz NXGDBFNHKYJARY-MNOVXSKESA-N 0 3 200.326 0.641 20 0 BCADHN CCn1cnnc1CCNCc1c(C)cnn1C ZINC000671715109 487704842 /nfs/dbraw/zinc/70/48/42/487704842.db2.gz PONFKKAAGVGUEJ-UHFFFAOYSA-N 0 3 248.334 0.672 20 0 BCADHN C[C@H](C(=O)N1CCNCC1(C)C)n1cncn1 ZINC000088138656 487705472 /nfs/dbraw/zinc/70/54/72/487705472.db2.gz NWVTWMQSCKPSEY-SECBINFHSA-N 0 3 237.307 0.050 20 0 BCADHN C[C@@H]1CN(C(=O)N[C@H]2CCCN(C)C2)CCN1 ZINC000669403344 487705538 /nfs/dbraw/zinc/70/55/38/487705538.db2.gz WADWGACERJHYNI-MNOVXSKESA-N 0 3 240.351 0.084 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)[C@H](O)C(C)C ZINC000671727813 487709589 /nfs/dbraw/zinc/70/95/89/487709589.db2.gz PZWJBSDOPUYQPO-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN CN(C)C[C@@]1(O)CCCN(C(=O)C2CCC2)C1 ZINC000683911782 487713228 /nfs/dbraw/zinc/71/32/28/487713228.db2.gz LIABISIAWPVANH-ZDUSSCGKSA-N 0 3 240.347 0.702 20 0 BCADHN CO[C@H](C)CN(C)CCN1C(=O)CCC1=O ZINC000671737111 487714644 /nfs/dbraw/zinc/71/46/44/487714644.db2.gz ZVENLCANCDDCGS-SECBINFHSA-N 0 3 228.292 0.102 20 0 BCADHN CCN(CC(C)C)C(=O)COC1(C)CNC1 ZINC000098061104 487718691 /nfs/dbraw/zinc/71/86/91/487718691.db2.gz WAEYQWHGDRIMJL-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN CC1(OCC(=O)NCc2ccccn2)CNC1 ZINC000098060176 487718173 /nfs/dbraw/zinc/71/81/73/487718173.db2.gz KADHGOCBNAQZRL-UHFFFAOYSA-N 0 3 235.287 0.076 20 0 BCADHN CC1(OCC(=O)NC[C@@H]2CCCCO2)CNC1 ZINC000098061224 487719221 /nfs/dbraw/zinc/71/92/21/487719221.db2.gz RLLDRFRZTMJVNO-JTQLQIEISA-N 0 3 242.319 0.050 20 0 BCADHN Cc1nc(N)nc(N[C@@H]2CCN(C)[C@H](C)C2)n1 ZINC000383608083 487719624 /nfs/dbraw/zinc/71/96/24/487719624.db2.gz RXMAUPQLDNKZRP-VXNVDRBHSA-N 0 3 236.323 0.657 20 0 BCADHN CC1(OCC(=O)N2C[C@@H]3CCC[C@@H]3C2)CNC1 ZINC000098061416 487719481 /nfs/dbraw/zinc/71/94/81/487719481.db2.gz FISJLNZMXDTFAA-PHIMTYICSA-N 0 3 238.331 0.623 20 0 BCADHN CC1(OCC(=O)NCc2cccnc2)CNC1 ZINC000098061524 487720335 /nfs/dbraw/zinc/72/03/35/487720335.db2.gz BYVXEVPKPSTJBL-UHFFFAOYSA-N 0 3 235.287 0.076 20 0 BCADHN Cc1ccc(NC(=O)COC2(C)CNC2)nc1 ZINC000098061528 487720399 /nfs/dbraw/zinc/72/03/99/487720399.db2.gz ZRQOUMHZJJSJCI-UHFFFAOYSA-N 0 3 235.287 0.707 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CCC2(CCO2)CC1 ZINC000669749738 487721400 /nfs/dbraw/zinc/72/14/00/487721400.db2.gz OTTHFZIISFZVAF-LLVKDONJSA-N 0 3 238.331 0.862 20 0 BCADHN CC(C)NCC(=O)NCc1cccc(CO)c1 ZINC000227281913 487721894 /nfs/dbraw/zinc/72/18/94/487721894.db2.gz QTMNGQYCXMDHRC-UHFFFAOYSA-N 0 3 236.315 0.793 20 0 BCADHN C[C@H](CO)CN1CCO[C@@]2(CCOC2)C1 ZINC000681098920 487722838 /nfs/dbraw/zinc/72/28/38/487722838.db2.gz XZIMAYHPRMWUAQ-QWRGUYRKSA-N 0 3 215.293 0.106 20 0 BCADHN C[C@H](N[C@@H](C)C(C)(C)O)c1cnnn1C ZINC000903391077 584755962 /nfs/dbraw/zinc/75/59/62/584755962.db2.gz QDOMHVVRMYQBNU-YUMQZZPRSA-N 0 3 212.297 0.625 20 0 BCADHN COC[C@@H](CCNC(=O)[C@@H]1CCCCN1)OC ZINC000662848022 487734739 /nfs/dbraw/zinc/73/47/39/487734739.db2.gz RNXNVDZYHLXLOF-MNOVXSKESA-N 0 3 244.335 0.296 20 0 BCADHN O=C(CN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)NC1CC1 ZINC000398909617 487735542 /nfs/dbraw/zinc/73/55/42/487735542.db2.gz NXHSXFNLXMHWIA-HOSYDEDBSA-N 0 3 238.331 0.358 20 0 BCADHN CN(CCN(C)C1CC1)CCn1ccccc1=O ZINC000681168300 487740631 /nfs/dbraw/zinc/74/06/31/487740631.db2.gz SQKNQHWKSNDHLR-UHFFFAOYSA-N 0 3 249.358 0.874 20 0 BCADHN CC[C@@H]1CN(CCc2c[nH]nn2)[C@H](C)CO1 ZINC000660912828 487743391 /nfs/dbraw/zinc/74/33/91/487743391.db2.gz NJZDNIHNSGLMEK-MWLCHTKSSA-N 0 3 224.308 0.847 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H](O)[C@H]1C)N(C)C ZINC000665926187 487751564 /nfs/dbraw/zinc/75/15/64/487751564.db2.gz MLLAAMMLXMYMQM-KXUCPTDWSA-N 0 3 214.309 0.308 20 0 BCADHN CCCN(C)CC(=O)NCC1(CO)CC1 ZINC000675611430 487752993 /nfs/dbraw/zinc/75/29/93/487752993.db2.gz CZXXHWIQMOFUQJ-UHFFFAOYSA-N 0 3 214.309 0.217 20 0 BCADHN CCn1ncc(CN(C)CCN(C)C)n1 ZINC000839097706 585090729 /nfs/dbraw/zinc/09/07/29/585090729.db2.gz UGQJNEUPPDYQHR-UHFFFAOYSA-N 0 3 211.313 0.291 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000226568055 487755667 /nfs/dbraw/zinc/75/56/67/487755667.db2.gz IATQISORKVEDHI-YNEHKIRRSA-N 0 3 246.310 0.934 20 0 BCADHN CO[C@@H](C)C(=O)NCCN1CCC[C@@H]1C ZINC000744347793 585149322 /nfs/dbraw/zinc/14/93/22/585149322.db2.gz CPRKJFPTTWSOLP-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CO[C@@H](C)CNC(=O)N(C)CCN(C)C ZINC000666221293 487761241 /nfs/dbraw/zinc/76/12/41/487761241.db2.gz VEPOZUDEKOPRPE-VIFPVBQESA-N 0 3 217.313 0.224 20 0 BCADHN CCN1CCCN(C(=O)[C@H](C)N(C)C)CC1 ZINC000674265633 487763121 /nfs/dbraw/zinc/76/31/21/487763121.db2.gz UVIPVFUTXQDZLF-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN Cc1c(CC(=O)N[C@@H](C)CN(C)C)cnn1C ZINC000292564302 487763280 /nfs/dbraw/zinc/76/32/80/487763280.db2.gz XJTBUFZDBVEBSM-VIFPVBQESA-N 0 3 238.335 0.337 20 0 BCADHN CSCCNC(=S)NCCN1CCCC1 ZINC000752731750 585249016 /nfs/dbraw/zinc/24/90/16/585249016.db2.gz DAMAEKBPMQUICL-UHFFFAOYSA-N 0 3 247.433 0.909 20 0 BCADHN C[C@H](CNC(=O)Cc1cscn1)N(C)C ZINC000666244127 487768693 /nfs/dbraw/zinc/76/86/93/487768693.db2.gz RSCLIRULLPTCIA-MRVPVSSYSA-N 0 3 227.333 0.752 20 0 BCADHN C[C@H]1C[C@H]1CN1CC(N2CC[C@@H](O)C2)C1 ZINC000651977502 487773300 /nfs/dbraw/zinc/77/33/00/487773300.db2.gz NDHIHEGVQJCWLE-JBLDHEPKSA-N 0 3 210.321 0.393 20 0 BCADHN CO[C@H](C)CNC(=O)N(C)CCN1CCCC1 ZINC000666261381 487774967 /nfs/dbraw/zinc/77/49/67/487774967.db2.gz BJCIMYORMXRLLN-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN CN1CCC[C@H](NC(=O)NCCC(C)(C)O)C1 ZINC000681318008 487775709 /nfs/dbraw/zinc/77/57/09/487775709.db2.gz XTKSYKRBIVFYFX-JTQLQIEISA-N 0 3 243.351 0.541 20 0 BCADHN O=C(N[C@H]1CCN(CC2CC2)C1)[C@H](O)C1CC1 ZINC000668457801 487781122 /nfs/dbraw/zinc/78/11/22/487781122.db2.gz PQXXJBNJOQYTHX-NWDGAFQWSA-N 0 3 238.331 0.358 20 0 BCADHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ncc[nH]1 ZINC000668458309 487781642 /nfs/dbraw/zinc/78/16/42/487781642.db2.gz XJXUGCYYNNWGHK-JTQLQIEISA-N 0 3 234.303 0.624 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)CCN1CCCC1 ZINC000767845134 585527095 /nfs/dbraw/zinc/52/70/95/585527095.db2.gz RRGGURZYZDUCKN-ABAIWWIYSA-N 0 3 232.393 0.781 20 0 BCADHN CCN1C[C@H](C)[C@H](NC(=O)N[C@H](C)CF)C1 ZINC000672935777 487784703 /nfs/dbraw/zinc/78/47/03/487784703.db2.gz HGCFPAPGJPEDNV-IVZWLZJFSA-N 0 3 231.315 0.984 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@@H](O)C2CC2)C1 ZINC000668461942 487784882 /nfs/dbraw/zinc/78/48/82/487784882.db2.gz INIZASSEVDTKDF-KOLCDFICSA-N 0 3 226.320 0.215 20 0 BCADHN N[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000385525212 487788118 /nfs/dbraw/zinc/78/81/18/487788118.db2.gz BOQAIUQRKJXBLC-XQHKEYJVSA-N 0 3 246.310 0.695 20 0 BCADHN CCN1CCN(C[C@@H]2CNc3ccnn3C2)CC1 ZINC000684196852 487788667 /nfs/dbraw/zinc/78/86/67/487788667.db2.gz UETUSWBBKRQPHW-LBPRGKRZSA-N 0 3 249.362 0.562 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C(=O)C(C)(C)C ZINC000805424328 585591958 /nfs/dbraw/zinc/59/19/58/585591958.db2.gz XHLNPSPEWUESKQ-QMMMGPOBSA-N 0 3 214.309 0.668 20 0 BCADHN CCN(CC)CCOC(=O)[C@@H](O)C1CC1 ZINC000772100145 585608393 /nfs/dbraw/zinc/60/83/93/585608393.db2.gz YHOPDEZJGKRAIF-JTQLQIEISA-N 0 3 215.293 0.642 20 0 BCADHN CC[C@H]1CC[C@H](C)N1CCS(N)(=O)=O ZINC000772356985 585612968 /nfs/dbraw/zinc/61/29/68/585612968.db2.gz NXJCIZGPEJZBRU-IUCAKERBSA-N 0 3 220.338 0.538 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000307341206 487793013 /nfs/dbraw/zinc/79/30/13/487793013.db2.gz URMJDRBETBPAEM-HRDYMLBCSA-N 0 3 200.282 0.278 20 0 BCADHN CSCCOC(=O)C1CCN(C)C1=O ZINC000772535433 585617654 /nfs/dbraw/zinc/61/76/54/585617654.db2.gz RHLLCLGULSUFRO-ZETCQYMHSA-N 0 3 217.290 0.371 20 0 BCADHN CCOC1CCN([C@@H]2CCCNC2=O)CC1 ZINC000675952697 487796917 /nfs/dbraw/zinc/79/69/17/487796917.db2.gz HSFWEFDTLPVIRU-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN CC1(C)CN([C@@H]2CCCNC2=O)CCCO1 ZINC000675964797 487797224 /nfs/dbraw/zinc/79/72/24/487797224.db2.gz BTGZXAAFDRMIJZ-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@H](CO)N1CCN([C@H]2CCCOC2)CC1 ZINC000674301716 487798875 /nfs/dbraw/zinc/79/88/75/487798875.db2.gz FTTVAIBBPSZNOV-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H]1CN(C[C@H]2CNCCO2)CCCO1 ZINC000251843719 487803136 /nfs/dbraw/zinc/80/31/36/487803136.db2.gz QSYNFAZARYNAOR-GHMZBOCLSA-N 0 3 214.309 0.086 20 0 BCADHN C[C@@H]1CCCN(C[C@H]2CNC(=O)O2)[C@H]1CO ZINC000496620566 533692770 /nfs/dbraw/zinc/69/27/70/533692770.db2.gz CYRNYVGDHNZZDK-BBBLOLIVSA-N 0 3 228.292 0.188 20 0 BCADHN CC[C@H](CO)C(=O)N[C@H](CN(C)C)C(C)C ZINC000779779882 585762657 /nfs/dbraw/zinc/76/26/57/585762657.db2.gz MGQITKSWSREKKV-GHMZBOCLSA-N 0 3 230.352 0.707 20 0 BCADHN C[C@H]1CCCCN1CCNC(=O)[C@@H](O)C1CC1 ZINC000666427090 487806117 /nfs/dbraw/zinc/80/61/17/487806117.db2.gz NAVUBGMSDDMOPL-JQWIXIFHSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H]1[C@H](C)N(Cc2cn[nH]c2)CCN1C ZINC000681491186 487806154 /nfs/dbraw/zinc/80/61/54/487806154.db2.gz DTXZCZUVOALDMY-UWVGGRQHSA-N 0 3 208.309 0.934 20 0 BCADHN C[C@H]1CCCCN1CCNC(=O)[C@H](O)C1CC1 ZINC000666427089 487805822 /nfs/dbraw/zinc/80/58/22/487805822.db2.gz NAVUBGMSDDMOPL-CMPLNLGQSA-N 0 3 240.347 0.748 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000234378911 487808457 /nfs/dbraw/zinc/80/84/57/487808457.db2.gz NSGSPSCGEDGDFA-DJLDLDEBSA-N 0 3 214.309 0.524 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)C(C)(C)CO ZINC000681550664 487813202 /nfs/dbraw/zinc/81/32/02/487813202.db2.gz OWMOLAWTTPDMKB-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)(C)CN(CCO)CCN1CCNC1=O ZINC000676126508 487816170 /nfs/dbraw/zinc/81/61/70/487816170.db2.gz YFSXLPWOACFISG-UHFFFAOYSA-N 0 3 243.351 0.352 20 0 BCADHN CN(C)CCn1cc(NC(=O)C(C)(C)O)cn1 ZINC000681581384 487817826 /nfs/dbraw/zinc/81/78/26/487817826.db2.gz KEGHLGTZBNICIJ-UHFFFAOYSA-N 0 3 240.307 0.154 20 0 BCADHN c1cnn(CCN2CC[C@@H](n3cncn3)C2)c1 ZINC000681601762 487821134 /nfs/dbraw/zinc/82/11/34/487821134.db2.gz RANYBYIJNCEMLO-LLVKDONJSA-N 0 3 232.291 0.422 20 0 BCADHN CC1(CN2CC[C@H](n3cncn3)C2)COC1 ZINC000681601700 487821526 /nfs/dbraw/zinc/82/15/26/487821526.db2.gz PVVDWIJCVJNKQB-JTQLQIEISA-N 0 3 222.292 0.561 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CC[S@](=O)[C@@H](C)C1 ZINC000569337442 322943505 /nfs/dbraw/zinc/94/35/05/322943505.db2.gz AIQRKSHONDBSCU-MLQVYSHPSA-N 0 3 246.376 0.339 20 0 BCADHN CN(C)C(=O)CCN1CC[C@@H](n2cncn2)C1 ZINC000681603536 487823658 /nfs/dbraw/zinc/82/36/58/487823658.db2.gz JPTHRVZUMVZODO-SNVBAGLBSA-N 0 3 237.307 0.003 20 0 BCADHN Cc1cc(CN[C@@H](C)[C@@H](C)O)nc(C)n1 ZINC000564868246 322944704 /nfs/dbraw/zinc/94/47/04/322944704.db2.gz DJFMSZDFJUBKEE-DTWKUNHWSA-N 0 3 209.293 0.952 20 0 BCADHN CCOC1CC(CN(CC)CC(=O)NC)C1 ZINC000795866766 586093745 /nfs/dbraw/zinc/09/37/45/586093745.db2.gz JJQQYYNQFGCICZ-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN OC[C@]1(F)CCN([C@@H]2CCCC[C@H]2O)C1 ZINC000338590117 487828453 /nfs/dbraw/zinc/82/84/53/487828453.db2.gz SAMKGHDHXIYTAP-MXWKQRLJSA-N 0 3 217.284 0.696 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCC[C@@H](O)C1 ZINC000558032273 322945403 /nfs/dbraw/zinc/94/54/03/322945403.db2.gz UADODYZVXPESSE-HBNTYKKESA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H](CO)CC1CC1 ZINC000673186379 487830414 /nfs/dbraw/zinc/83/04/14/487830414.db2.gz OGKGWYWCNQWUPU-GXSJLCMTSA-N 0 3 243.351 0.397 20 0 BCADHN Cc1c[nH]nc1C(=O)NCCOCCN(C)C ZINC000669614621 487830461 /nfs/dbraw/zinc/83/04/61/487830461.db2.gz ZNCLCCOIUHKQKV-UHFFFAOYSA-N 0 3 240.307 0.026 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H](CO)CC1CC1 ZINC000673186380 487830369 /nfs/dbraw/zinc/83/03/69/487830369.db2.gz OGKGWYWCNQWUPU-ONGXEEELSA-N 0 3 243.351 0.397 20 0 BCADHN CCCO[N-]C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000824041627 587250623 /nfs/dbraw/zinc/25/06/23/587250623.db2.gz MQOVMSOLOZYGNW-SECBINFHSA-N 0 3 200.282 0.786 20 0 BCADHN CCCO[N-]C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000824041627 587250625 /nfs/dbraw/zinc/25/06/25/587250625.db2.gz MQOVMSOLOZYGNW-SECBINFHSA-N 0 3 200.282 0.786 20 0 BCADHN C[S@@](=O)CCN1CCCC[C@H]1CC(N)=O ZINC000827870194 587406502 /nfs/dbraw/zinc/40/65/02/587406502.db2.gz CUQJDPFONJWILS-BJOHPYRUSA-N 0 3 232.349 0.095 20 0 BCADHN CC[C@@]1(NC(=O)N[C@@H](C)CN(C)C)CCOC1 ZINC000673186797 487833333 /nfs/dbraw/zinc/83/33/33/487833333.db2.gz UTUXAHFVQDTOKN-CMPLNLGQSA-N 0 3 243.351 0.805 20 0 BCADHN CCN(C)C(=O)[C@@H](NCC[S@](C)=O)C(C)C ZINC000828588167 587452463 /nfs/dbraw/zinc/45/24/63/587452463.db2.gz VPXWYDOHLLIUJX-QFYYESIMSA-N 0 3 248.392 0.457 20 0 BCADHN Cc1c[nH]nc1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000669615047 487836030 /nfs/dbraw/zinc/83/60/30/487836030.db2.gz CCVUOKYSVWNDGZ-QWRGUYRKSA-N 0 3 248.330 0.884 20 0 BCADHN CS(=O)(=O)[C@@H]1CCC[C@H](NC/C=C/CO)C1 ZINC000668490380 487836400 /nfs/dbraw/zinc/83/64/00/487836400.db2.gz VLZRZYWVVDFUHM-ZROCKMJXSA-N 0 3 247.360 0.480 20 0 BCADHN CCN(OC)C(=O)CNCC1(C)COC1 ZINC000842770032 588061661 /nfs/dbraw/zinc/06/16/61/588061661.db2.gz WZUCWABWBXHTSQ-UHFFFAOYSA-N 0 3 216.281 0.022 20 0 BCADHN CC[C@@H](C(=O)N[C@H](CO)CCF)N(C)C ZINC000652914308 487840486 /nfs/dbraw/zinc/84/04/86/487840486.db2.gz SIVUYYODCMVUFC-IUCAKERBSA-N 0 3 220.288 0.163 20 0 BCADHN CC[C@@](C)(N)c1cn(C[C@@H]2CCOC2)nn1 ZINC000395171396 487841990 /nfs/dbraw/zinc/84/19/90/487841990.db2.gz MSTJLBJGLPVHES-GXSJLCMTSA-N 0 3 224.308 0.899 20 0 BCADHN COC(=O)N(C)CCN(C)C[C@H](C)OC ZINC000852568788 588691140 /nfs/dbraw/zinc/69/11/40/588691140.db2.gz OWMCQXGTYGTANR-VIFPVBQESA-N 0 3 218.297 0.651 20 0 BCADHN CN(C)CCNC(=S)N[C@H]1CC12CCC2 ZINC000871689837 589791264 /nfs/dbraw/zinc/79/12/64/589791264.db2.gz QKKSBEVPNYCXBN-VIFPVBQESA-N 0 3 227.377 0.955 20 0 BCADHN O=C1NCCN1CCN1CC[C@H](C(F)F)C1 ZINC000676391039 487844602 /nfs/dbraw/zinc/84/46/02/487844602.db2.gz PURWOMJHDVCORF-QMMMGPOBSA-N 0 3 233.262 0.599 20 0 BCADHN C[C@H]1CN(Cc2ccn(C)c(=O)c2)CC[C@@H]1O ZINC000681707504 487844136 /nfs/dbraw/zinc/84/41/36/487844136.db2.gz APWYIEBYSFJZIB-JQWIXIFHSA-N 0 3 236.315 0.588 20 0 BCADHN CN(C)C1(C(=O)NCc2cnc[nH]2)CC1 ZINC000668996073 487845220 /nfs/dbraw/zinc/84/52/20/487845220.db2.gz ULSBWIFXMLGTNN-UHFFFAOYSA-N 0 3 208.265 0.120 20 0 BCADHN Cn1cc(CCN2CCCC[C@@H]2CO)cn1 ZINC000077251048 487846394 /nfs/dbraw/zinc/84/63/94/487846394.db2.gz TWNPTENWGZYHND-GFCCVEGCSA-N 0 3 223.320 0.809 20 0 BCADHN O=C1NCC[C@@H]1NC[C@H]1CC1(Cl)Cl ZINC000877619540 590375760 /nfs/dbraw/zinc/37/57/60/590375760.db2.gz CSFHVBCBTZCZLA-RITPCOANSA-N 0 3 223.103 0.658 20 0 BCADHN C[C@@H]1[C@H](C)SCCN1C[C@H]1CNCCO1 ZINC000253085530 487848317 /nfs/dbraw/zinc/84/83/17/487848317.db2.gz ZRXGGYXLDUNPJK-OUAUKWLOSA-N 0 3 230.377 0.801 20 0 BCADHN CC[C@@H](O)CN1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000495971213 529226234 /nfs/dbraw/zinc/22/62/34/529226234.db2.gz RNSVHQULYYSMGO-GHMZBOCLSA-N 0 3 244.335 0.920 20 0 BCADHN CCN1CCN(CC2(O)CCOCC2)C[C@@H]1C ZINC000676410693 487848810 /nfs/dbraw/zinc/84/88/10/487848810.db2.gz GJADYCMADLZLDC-LBPRGKRZSA-N 0 3 242.363 0.554 20 0 BCADHN CC[C@H](C(=O)N1CCO[C@@H]2C[C@@H]21)N(C)C ZINC000665901262 487849014 /nfs/dbraw/zinc/84/90/14/487849014.db2.gz RYIYTHZDVUHLNZ-KXUCPTDWSA-N 0 3 212.293 0.326 20 0 BCADHN NC(=O)[C@H]1CCCN(Cc2cn[nH]c2)C1 ZINC000676413572 487849017 /nfs/dbraw/zinc/84/90/17/487849017.db2.gz VYJTZCIMPKTUHH-VIFPVBQESA-N 0 3 208.265 0.107 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)C1CC2(CC2)C1 ZINC000659315509 487853609 /nfs/dbraw/zinc/85/36/09/487853609.db2.gz ZCCBGRLHCIZSIW-UWVGGRQHSA-N 0 3 226.295 0.993 20 0 BCADHN COC[C@H]1CCCN1CCN1CCCC1=O ZINC000674470108 487857201 /nfs/dbraw/zinc/85/72/01/487857201.db2.gz NOLROMMBGXHKOK-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN C[C@@]1(NC(=O)C[C@@H]2CSCCN2)CCOC1 ZINC000119128723 487857641 /nfs/dbraw/zinc/85/76/41/487857641.db2.gz ZJHOODJQYRAQJA-MWLCHTKSSA-N 0 3 244.360 0.377 20 0 BCADHN O=C(CNC1CC1)NCc1nccn1C(F)F ZINC000564913730 322957916 /nfs/dbraw/zinc/95/79/16/322957916.db2.gz YCXQYNJXANPGRI-UHFFFAOYSA-N 0 3 244.245 0.646 20 0 BCADHN C[C@H](NCc1cn2cccnc2n1)C1(CO)CC1 ZINC000668507594 487863171 /nfs/dbraw/zinc/86/31/71/487863171.db2.gz NPLBKUNPJSMSRV-JTQLQIEISA-N 0 3 246.314 0.980 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H](C)C(C)C ZINC000668508634 487864254 /nfs/dbraw/zinc/86/42/54/487864254.db2.gz NGHYJATXMSVDPJ-LPEHRKFASA-N 0 3 235.349 0.433 20 0 BCADHN CN(C)C(=O)NOCCN1CCCCC1 ZINC000062578194 641198320 /nfs/dbraw/zinc/19/83/20/641198320.db2.gz AXIICWQBFSXHOM-UHFFFAOYSA-N 0 3 215.297 0.675 20 0 BCADHN CCN1CC[C@H](N[C@@H](C)[C@@H]2CCCO2)C1=O ZINC000309933321 487867768 /nfs/dbraw/zinc/86/77/68/487867768.db2.gz YWEIKMLMBOTONM-DCAQKATOSA-N 0 3 226.320 0.764 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C)ncn1 ZINC000082303024 322959740 /nfs/dbraw/zinc/95/97/40/322959740.db2.gz WJBXRLVDOCVGDC-UHFFFAOYSA-N 0 3 208.265 0.076 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@@H]1NCCCC1(C)C ZINC000234725189 487868259 /nfs/dbraw/zinc/86/82/59/487868259.db2.gz VQBAKNUQUWYKPN-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN CN1C[C@@H]2CCN(Cc3cnc4n3CCC4)[C@@H]2C1 ZINC000668186518 487868722 /nfs/dbraw/zinc/86/87/22/487868722.db2.gz KWEIDMPLJANZMY-WCQYABFASA-N 0 3 246.358 0.965 20 0 BCADHN COCCOC[C@@H](O)CNCc1ccc(C)o1 ZINC000234731552 487869340 /nfs/dbraw/zinc/86/93/40/487869340.db2.gz KDRHHVMMHMSYHL-NSHDSACASA-N 0 3 243.303 0.702 20 0 BCADHN Cc1ccc(C(=O)N2CCNCC2(C)C)c(=O)[nH]1 ZINC000156739228 487871291 /nfs/dbraw/zinc/87/12/91/487871291.db2.gz LLYUPNQMJNEBCA-UHFFFAOYSA-N 0 3 249.314 0.507 20 0 BCADHN C[C@H](NCc1cnc2cnccn12)C(C)(C)O ZINC000676556622 487871398 /nfs/dbraw/zinc/87/13/98/487871398.db2.gz USXQEYIPOQWQEI-VIFPVBQESA-N 0 3 234.303 0.978 20 0 BCADHN CN(C)C1(C(=O)N(C)CCN2CCCC2)CC1 ZINC000668198010 487872952 /nfs/dbraw/zinc/87/29/52/487872952.db2.gz BWYVEBUXWQYUAN-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CN(CCN1CCCC1)C(=O)[C@H](O)C1CC1 ZINC000668199291 487872990 /nfs/dbraw/zinc/87/29/90/487872990.db2.gz PLUOTTLIMYVOEO-LLVKDONJSA-N 0 3 226.320 0.312 20 0 BCADHN CN(CCN1CCCC1)C(=O)[C@@H](O)C1CC1 ZINC000668199292 487874106 /nfs/dbraw/zinc/87/41/06/487874106.db2.gz PLUOTTLIMYVOEO-NSHDSACASA-N 0 3 226.320 0.312 20 0 BCADHN CC(C)C1CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000677122519 487874366 /nfs/dbraw/zinc/87/43/66/487874366.db2.gz VJMOXLQOFMVWIU-QMMMGPOBSA-N 0 3 233.333 0.534 20 0 BCADHN OCC1(CNCc2n[nH]c3ccccc32)COC1 ZINC000676570583 487874979 /nfs/dbraw/zinc/87/49/79/487874979.db2.gz MOZLZJMNUOGREH-UHFFFAOYSA-N 0 3 247.298 0.661 20 0 BCADHN OCC1(CNCc2[nH]nc3ccccc32)COC1 ZINC000676570583 487874986 /nfs/dbraw/zinc/87/49/86/487874986.db2.gz MOZLZJMNUOGREH-UHFFFAOYSA-N 0 3 247.298 0.661 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2ccc(N)cn2)C1 ZINC000156902961 487879114 /nfs/dbraw/zinc/87/91/14/487879114.db2.gz BGZOASVLQSWGJH-NSHDSACASA-N 0 3 248.330 0.830 20 0 BCADHN COC(CN(CCCO)CCCF)OC ZINC000183665339 643154002 /nfs/dbraw/zinc/15/40/02/643154002.db2.gz HRXLVUMHKGZPNB-UHFFFAOYSA-N 0 3 223.288 0.649 20 0 BCADHN CCCN1CC[C@H](NC(=O)NC/C=C/CO)C1 ZINC000666919793 487881719 /nfs/dbraw/zinc/88/17/19/487881719.db2.gz FJGLZPPGJFRZPG-UFFNRZRYSA-N 0 3 241.335 0.318 20 0 BCADHN CC[C@@H](O)CN1CCN(CCO)C(C)(C)C1 ZINC000682036548 487886754 /nfs/dbraw/zinc/88/67/54/487886754.db2.gz YWQBYGQCFZSNLO-LLVKDONJSA-N 0 3 230.352 0.146 20 0 BCADHN CO[C@H](C)CN1CCN(CCO)C(C)(C)C1 ZINC000682039664 487887616 /nfs/dbraw/zinc/88/76/16/487887616.db2.gz YASPJBUDIZQIMO-LLVKDONJSA-N 0 3 230.352 0.410 20 0 BCADHN NCc1cn(CC(=O)NCc2ccccc2)nn1 ZINC000050224694 487896143 /nfs/dbraw/zinc/89/61/43/487896143.db2.gz ZBIKKIOMFYRMRG-UHFFFAOYSA-N 0 3 245.286 0.053 20 0 BCADHN Cc1nc(Cn2cc(CN)nn2)cs1 ZINC000050224610 487896199 /nfs/dbraw/zinc/89/61/99/487896199.db2.gz GGQBGGJWEUKTTO-UHFFFAOYSA-N 0 3 209.278 0.550 20 0 BCADHN CN(Cc1cnn(C)c1)CC1CN(C)C1 ZINC000668537475 487901297 /nfs/dbraw/zinc/90/12/97/487901297.db2.gz HOZMFRZOGBTXBF-UHFFFAOYSA-N 0 3 208.309 0.414 20 0 BCADHN CCN(C)C(=O)CCN1CCCOC[C@@H]1C ZINC000676712579 487901181 /nfs/dbraw/zinc/90/11/81/487901181.db2.gz AMTDRWDJZXYNOQ-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H]1COCCCN1CCCN1CCOCC1 ZINC000676713928 487902289 /nfs/dbraw/zinc/90/22/89/487902289.db2.gz SRFKXRQLHAMLFE-CYBMUJFWSA-N 0 3 242.363 0.820 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NCC[C@H](C)O)C1 ZINC000666919709 487904397 /nfs/dbraw/zinc/90/43/97/487904397.db2.gz CCCCONFKGGHFHC-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN O[C@@H](COC1CCOCC1)CN1CC=CCC1 ZINC000679323679 487904602 /nfs/dbraw/zinc/90/46/02/487904602.db2.gz TVOJHTRIOCNGIB-GFCCVEGCSA-N 0 3 241.331 0.805 20 0 BCADHN CCn1ccnc1CN[C@@H]1CNCCC1(F)F ZINC000666925955 487907846 /nfs/dbraw/zinc/90/78/46/487907846.db2.gz JTBZYOWKGCTEQZ-SECBINFHSA-N 0 3 244.289 0.990 20 0 BCADHN CCC[C@H](O)CC(=O)NC[C@@H](C)N(C)C ZINC000676737615 487909144 /nfs/dbraw/zinc/90/91/44/487909144.db2.gz AUCRZMXQXTYBDX-ZJUUUORDSA-N 0 3 216.325 0.604 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000302100581 487909493 /nfs/dbraw/zinc/90/94/93/487909493.db2.gz WYRDHZPEJSOPCO-SRVKXCTJSA-N 0 3 234.299 0.498 20 0 BCADHN Cc1nccnc1[C@@H](C)NCCc1nnnn1C ZINC000682134049 487911821 /nfs/dbraw/zinc/91/18/21/487911821.db2.gz SBVXFEGZRDSDNL-MRVPVSSYSA-N 0 3 247.306 0.202 20 0 BCADHN CN(CC(F)F)C(=O)C1(N)CCCC1 ZINC000157559405 487914214 /nfs/dbraw/zinc/91/42/14/487914214.db2.gz OGPSENVMSXYERU-UHFFFAOYSA-N 0 3 206.236 0.981 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)C2=CCOCC2)C1 ZINC000684456960 487914018 /nfs/dbraw/zinc/91/40/18/487914018.db2.gz AYOCBGDFJXXMOM-ZYHUDNBSSA-N 0 3 238.331 0.790 20 0 BCADHN CN(CC[C@@H]1CCOC1)CC(=O)N1CCCC1 ZINC000682150647 487914912 /nfs/dbraw/zinc/91/49/12/487914912.db2.gz DUOHBLFBARYHRX-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000668543601 487916599 /nfs/dbraw/zinc/91/65/99/487916599.db2.gz XNNLKJWWNQAANS-ZYHUDNBSSA-N 0 3 248.330 0.819 20 0 BCADHN Cc1cc(CC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)on1 ZINC000652322638 487918643 /nfs/dbraw/zinc/91/86/43/487918643.db2.gz QGYSVDADFIJBCX-PWSUYJOCSA-N 0 3 249.314 0.688 20 0 BCADHN CN1CCC[C@@H](NC(=O)Cc2cncs2)C1 ZINC000682159407 487919030 /nfs/dbraw/zinc/91/90/30/487919030.db2.gz FPPCSCUUUPEXCE-SECBINFHSA-N 0 3 239.344 0.896 20 0 BCADHN O=C(C1CCC1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673512893 487924865 /nfs/dbraw/zinc/92/48/65/487924865.db2.gz GFMWKEXBIIBQEW-RYUDHWBXSA-N 0 3 238.331 0.454 20 0 BCADHN C[C@@H](CNC(=O)C1(N)CC1)c1nccs1 ZINC000235151677 487925281 /nfs/dbraw/zinc/92/52/81/487925281.db2.gz AVVBNXHUSBPCHG-ZETCQYMHSA-N 0 3 225.317 0.854 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-]C[C@@H](C)[NH3+])s1 ZINC000235178358 487926312 /nfs/dbraw/zinc/92/63/12/487926312.db2.gz IWSKVUVPALCYFW-RXMQYKEDSA-N 0 3 235.334 0.077 20 0 BCADHN C[C@@H]1CCN(C(=O)COC2(C)CNC2)[C@@H]1C ZINC000380646409 487927288 /nfs/dbraw/zinc/92/72/88/487927288.db2.gz WDDMQVPNTSVJCR-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN CS(=O)(=O)CCCCN(CCO)C1CCC1 ZINC000682222174 487929877 /nfs/dbraw/zinc/92/98/77/487929877.db2.gz HSWQIYKUIDPNAR-UHFFFAOYSA-N 0 3 249.376 0.658 20 0 BCADHN COCC[C@H](C)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000668560780 487934653 /nfs/dbraw/zinc/93/46/53/487934653.db2.gz HMNMFQGUDUQYNI-DCAQKATOSA-N 0 3 249.376 0.967 20 0 BCADHN CN(C)c1ccccc1CNC[C@@](C)(O)CO ZINC000684539003 487937065 /nfs/dbraw/zinc/93/70/65/487937065.db2.gz QWCDKEOPWBQCJT-CYBMUJFWSA-N 0 3 238.331 0.586 20 0 BCADHN C[C@@H]1CC[C@@H](N[C@H]2CCCOC2)CS1(=O)=O ZINC000668562873 487939151 /nfs/dbraw/zinc/93/91/51/487939151.db2.gz HGFROLDSABRCDF-OUAUKWLOSA-N 0 3 247.360 0.721 20 0 BCADHN NC(=O)C[C@@H]1CCN(Cc2ccncc2)C1 ZINC000676876738 487939312 /nfs/dbraw/zinc/93/93/12/487939312.db2.gz RPCWWGRNRAFHGG-NSHDSACASA-N 0 3 219.288 0.779 20 0 BCADHN COc1ccc(CNC[C@@H]2CCC(=O)N2)cn1 ZINC000158113050 487939978 /nfs/dbraw/zinc/93/99/78/487939978.db2.gz ZXIWOVCVLSYKOS-JTQLQIEISA-N 0 3 235.287 0.458 20 0 BCADHN Cc1cccc(CNC(=O)C2(N)CC2)n1 ZINC000083835803 487940989 /nfs/dbraw/zinc/94/09/89/487940989.db2.gz CATMDCQRJLOBQI-UHFFFAOYSA-N 0 3 205.261 0.498 20 0 BCADHN C[C@@H](c1cnccn1)N1CC[C@@H](CC(N)=O)C1 ZINC000676891819 487942225 /nfs/dbraw/zinc/94/22/25/487942225.db2.gz JDKQNCGQBOTLFZ-UWVGGRQHSA-N 0 3 234.303 0.735 20 0 BCADHN Cc1nccc(CN2CC[C@@H](CC(N)=O)C2)n1 ZINC000676887786 487942463 /nfs/dbraw/zinc/94/24/63/487942463.db2.gz LYCSHAQSBFKMIU-JTQLQIEISA-N 0 3 234.303 0.482 20 0 BCADHN C[C@H](CNc1cncc(-n2cncn2)n1)N(C)C ZINC000682392952 487945185 /nfs/dbraw/zinc/94/51/85/487945185.db2.gz BTAUJZVNOABPRO-SECBINFHSA-N 0 3 247.306 0.419 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H](O)C1CC1 ZINC000667183455 487954501 /nfs/dbraw/zinc/95/45/01/487954501.db2.gz ZACFYJDAOSWKEO-KOLCDFICSA-N 0 3 224.304 0.110 20 0 BCADHN COCCN(C)CCNC(=O)c1coc(C)n1 ZINC000669948961 487956599 /nfs/dbraw/zinc/95/65/99/487956599.db2.gz USQPJFJHEICFRE-UHFFFAOYSA-N 0 3 241.291 0.291 20 0 BCADHN CN(C)c1ccnc(C(=O)N2CCCNCC2)c1 ZINC000564945546 322976679 /nfs/dbraw/zinc/97/66/79/322976679.db2.gz AMGKQBRJMOQWHS-UHFFFAOYSA-N 0 3 248.330 0.583 20 0 BCADHN CCc1nncn1CCN[C@@H](C)c1cn[nH]c1 ZINC000559900269 322981033 /nfs/dbraw/zinc/98/10/33/322981033.db2.gz KAFOOQZVPVLMNO-VIFPVBQESA-N 0 3 234.307 0.914 20 0 BCADHN COC(=O)[C@@H](O)CNC[C@H](O)CC1CCCC1 ZINC000564975214 322986088 /nfs/dbraw/zinc/98/60/88/322986088.db2.gz HQLIPEMEMZELAF-MNOVXSKESA-N 0 3 245.319 0.051 20 0 BCADHN C=Cn1cc(CNC[C@@H](O)[C@H]2CCOC2)cn1 ZINC000564409729 322992936 /nfs/dbraw/zinc/99/29/36/322992936.db2.gz YWJRFLMNEFPAFS-NWDGAFQWSA-N 0 3 237.303 0.471 20 0 BCADHN CC[C@@H](C)OCC(=O)NC[C@@](C)(O)CN(C)C ZINC000152715135 322998779 /nfs/dbraw/zinc/99/87/79/322998779.db2.gz XZXPPDHFNMBZKM-ZYHUDNBSSA-N 0 3 246.351 0.230 20 0 BCADHN CCN1CCC(NC(=O)c2cc(C)ncn2)CC1 ZINC000124674243 322999918 /nfs/dbraw/zinc/99/99/18/322999918.db2.gz BFIXFOUGVWNJPR-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN COC[C@@H](O)CNCCOc1cccc(F)c1 ZINC000564722363 323007332 /nfs/dbraw/zinc/00/73/32/323007332.db2.gz LAHXLUUPTNPWBZ-NSHDSACASA-N 0 3 243.278 0.801 20 0 BCADHN COC(=O)CC1(NC[C@@H]2COCCO2)CC1 ZINC000565051985 323007353 /nfs/dbraw/zinc/00/73/53/323007353.db2.gz TYVUKZHGYXGTSY-SECBINFHSA-N 0 3 229.276 0.087 20 0 BCADHN Cc1cc(CNCC[S@](C)=O)ccn1 ZINC000400622039 323017857 /nfs/dbraw/zinc/01/78/57/323017857.db2.gz MMLNNEOWPLTNLH-AWEZNQCLSA-N 0 3 212.318 0.858 20 0 BCADHN CCC[C@@H](C)N1C[C@H](O)C[C@H]1C(N)=O ZINC000528638248 323019590 /nfs/dbraw/zinc/01/95/90/323019590.db2.gz YXFNWDFYRDSVCS-HLTSFMKQSA-N 0 3 200.282 0.096 20 0 BCADHN CS[C@H](C)CNC(=O)NCCN(C)C ZINC000133931796 323020800 /nfs/dbraw/zinc/02/08/00/323020800.db2.gz ZVGXWAHSACGBMI-MRVPVSSYSA-N 0 3 219.354 0.599 20 0 BCADHN CN(C)CCn1nnnc1SCCCF ZINC000151659024 323022250 /nfs/dbraw/zinc/02/22/50/323022250.db2.gz AVKHXQYPZDKKHF-UHFFFAOYSA-N 0 3 233.316 0.686 20 0 BCADHN CN(C)CCNC(=O)CSCC(F)(F)F ZINC000134549559 323024735 /nfs/dbraw/zinc/02/47/35/323024735.db2.gz BBYRLOVGBQETNL-UHFFFAOYSA-N 0 3 244.282 0.960 20 0 BCADHN CCc1cnccc1C(=O)NCCN(C)C ZINC000136050111 323030864 /nfs/dbraw/zinc/03/08/64/323030864.db2.gz GRYMADVMLFZWSF-UHFFFAOYSA-N 0 3 221.304 0.935 20 0 BCADHN CO[C@@H](CN)C(=O)NC/C=C/c1ccccc1 ZINC000565148052 323032492 /nfs/dbraw/zinc/03/24/92/323032492.db2.gz AJGKXNHDUSXBDN-ZCRIDZFUSA-N 0 3 234.299 0.790 20 0 BCADHN CO[C@H](CN)C(=O)NC/C=C/c1ccccc1 ZINC000565148042 323032521 /nfs/dbraw/zinc/03/25/21/323032521.db2.gz AJGKXNHDUSXBDN-FZKGZDJFSA-N 0 3 234.299 0.790 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1OC ZINC000565211543 323033625 /nfs/dbraw/zinc/03/36/25/323033625.db2.gz CEQDAEBTEDKNMX-GUBZILKMSA-N 0 3 214.309 0.668 20 0 BCADHN C[C@@H]1[NH2+]CCC[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000569677688 323036637 /nfs/dbraw/zinc/03/66/37/323036637.db2.gz CVHYTWPJRXMDQM-CBAPKCEASA-N 0 3 232.291 0.279 20 0 BCADHN CCc1nc(CN2CC[C@@H]3OCC[C@@H]3C2)n[nH]1 ZINC000569690142 323037051 /nfs/dbraw/zinc/03/70/51/323037051.db2.gz YNUMCGGWDRPGPO-ZJUUUORDSA-N 0 3 236.319 0.978 20 0 BCADHN Cc1nc2ccc(N3C[C@H](C)NC[C@H]3C)nn2n1 ZINC000569699844 323037525 /nfs/dbraw/zinc/03/75/25/323037525.db2.gz UFUNNBMFYOXKHD-DTWKUNHWSA-N 0 3 246.318 0.619 20 0 BCADHN C[C@H](c1ccccc1)[C@@H](O)CNC(CO)CO ZINC000569723592 323038834 /nfs/dbraw/zinc/03/88/34/323038834.db2.gz LYHUOGBWXXZRDR-MFKMUULPSA-N 0 3 239.315 0.094 20 0 BCADHN C[C@@H](c1ccccc1)[C@@H](O)CNC(CO)CO ZINC000569723586 323038840 /nfs/dbraw/zinc/03/88/40/323038840.db2.gz LYHUOGBWXXZRDR-GWCFXTLKSA-N 0 3 239.315 0.094 20 0 BCADHN C[C@@H](CNCCc1ccco1)S(C)(=O)=O ZINC000569803354 323041125 /nfs/dbraw/zinc/04/11/25/323041125.db2.gz OTRIEMLWZYKYRC-VIFPVBQESA-N 0 3 231.317 0.845 20 0 BCADHN CO[C@H]1CCCN(CCNC(=O)NC(C)C)C1 ZINC000569806641 323041255 /nfs/dbraw/zinc/04/12/55/323041255.db2.gz PGKYLOGPYUMIPM-NSHDSACASA-N 0 3 243.351 0.805 20 0 BCADHN Cc1ccncc1C(=O)N1CCN(C)C[C@@H]1CN ZINC000569843347 323042648 /nfs/dbraw/zinc/04/26/48/323042648.db2.gz PPHFWEPJYHQURF-NSHDSACASA-N 0 3 248.330 0.105 20 0 BCADHN Cc1ccncc1C(=O)N1CCN(C)C[C@H]1CN ZINC000569843345 323042666 /nfs/dbraw/zinc/04/26/66/323042666.db2.gz PPHFWEPJYHQURF-LLVKDONJSA-N 0 3 248.330 0.105 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCCC1(O)CC1 ZINC000569899880 323043787 /nfs/dbraw/zinc/04/37/87/323043787.db2.gz BKRNAUCRVSNEBO-NXEZZACHSA-N 0 3 215.293 0.295 20 0 BCADHN C[C@H](CNCC(C)(C)CCO)S(C)(=O)=O ZINC000569927535 323044543 /nfs/dbraw/zinc/04/45/43/323044543.db2.gz BDJKQQSVNBLFPJ-SECBINFHSA-N 0 3 237.365 0.418 20 0 BCADHN C[C@@H](CNCC(C)(C)CCO)S(C)(=O)=O ZINC000569927536 323044591 /nfs/dbraw/zinc/04/45/91/323044591.db2.gz BDJKQQSVNBLFPJ-VIFPVBQESA-N 0 3 237.365 0.418 20 0 BCADHN C[C@]1(CNC[C@H](O)C(F)(F)F)CCC(=O)N1 ZINC000569962414 323045823 /nfs/dbraw/zinc/04/58/23/323045823.db2.gz WMNNKFSGGDZQGH-POYBYMJQSA-N 0 3 240.225 0.168 20 0 BCADHN Cc1nc(CCNC(=O)CNC2CC2)c(C)o1 ZINC000569966859 323045996 /nfs/dbraw/zinc/04/59/96/323045996.db2.gz HEBKTIKRUGOBBF-UHFFFAOYSA-N 0 3 237.303 0.702 20 0 BCADHN CC[C@@H](NC(=O)[C@@H]1C[C@@H]1N)[C@@H]1CCCO1 ZINC000569983909 323046248 /nfs/dbraw/zinc/04/62/48/323046248.db2.gz HEQYTRVZWPSCFS-RGOKHQFPSA-N 0 3 212.293 0.407 20 0 BCADHN Cn1nncc1C(=O)NC[C@@H](N)c1ccccc1 ZINC000570041208 323048109 /nfs/dbraw/zinc/04/81/09/323048109.db2.gz MOIIESOWKXRDCR-SNVBAGLBSA-N 0 3 245.286 0.245 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000570106081 323050082 /nfs/dbraw/zinc/05/00/82/323050082.db2.gz HEHBFKZLVLCFNS-CBAPKCEASA-N 0 3 224.308 0.373 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)NCCCC(C)(C)C ZINC000570148084 323051083 /nfs/dbraw/zinc/05/10/83/323051083.db2.gz JWXULKXHXZAXSN-SECBINFHSA-N 0 3 243.351 0.392 20 0 BCADHN COC[C@@H](C)CN(C)[C@H]1CCN(C)C1=O ZINC000570205050 323052865 /nfs/dbraw/zinc/05/28/65/323052865.db2.gz XANQUPWNUXNNTO-UWVGGRQHSA-N 0 3 214.309 0.431 20 0 BCADHN CC(C)NCC(=O)NC[C@H](C)C(=O)OC(C)C ZINC000570225371 323053633 /nfs/dbraw/zinc/05/36/33/323053633.db2.gz HZCHBIQDSOEPOZ-JTQLQIEISA-N 0 3 244.335 0.688 20 0 BCADHN C[C@H](CN[C@H]1CS[C@H](C)C1)S(C)(=O)=O ZINC000570272909 323054492 /nfs/dbraw/zinc/05/44/92/323054492.db2.gz HLRXZJWJYBEXBK-IWSPIJDZSA-N 0 3 237.390 0.903 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NCCCC1CC1 ZINC000570277661 323054819 /nfs/dbraw/zinc/05/48/19/323054819.db2.gz OQTIPWSUSPTJFU-SNVBAGLBSA-N 0 3 242.319 0.573 20 0 BCADHN CC[C@](C)(NC(=O)CNC(C)C)C(=O)OC ZINC000570291495 323055473 /nfs/dbraw/zinc/05/54/73/323055473.db2.gz CBYVAGOVKHWGOS-NSHDSACASA-N 0 3 230.308 0.442 20 0 BCADHN COC[C@@H](NC(=O)CCOC1CNC1)C(C)C ZINC000570321440 323055910 /nfs/dbraw/zinc/05/59/10/323055910.db2.gz CUVTXPRWSWJFSL-LLVKDONJSA-N 0 3 244.335 0.152 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@H](N)C2CCC2)n1 ZINC000570329498 323056501 /nfs/dbraw/zinc/05/65/01/323056501.db2.gz QDGNJQISUMSUHJ-HZGVNTEJSA-N 0 3 238.291 0.683 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)NC(=O)CNC1CC1 ZINC000570391182 323058125 /nfs/dbraw/zinc/05/81/25/323058125.db2.gz NIBGODPNXMUALF-BDAKNGLRSA-N 0 3 242.319 0.442 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN2C)CO1 ZINC000570446036 323059678 /nfs/dbraw/zinc/05/96/78/323059678.db2.gz LLYCNFLTPPAGPU-VWYCJHECSA-N 0 3 241.335 0.557 20 0 BCADHN Cn1cncc1CCCN1C[C@@H](O)C2(CC2)C1 ZINC000570695552 323067534 /nfs/dbraw/zinc/06/75/34/323067534.db2.gz WXRJJKYXHRAFLA-GFCCVEGCSA-N 0 3 235.331 0.809 20 0 BCADHN Cn1cncc1CCCN1C[C@H](O)C2(CC2)C1 ZINC000570695553 323067632 /nfs/dbraw/zinc/06/76/32/323067632.db2.gz WXRJJKYXHRAFLA-LBPRGKRZSA-N 0 3 235.331 0.809 20 0 BCADHN CCOC[C@H](O)CNCCNC(=O)C(C)(C)C ZINC000570795515 323070558 /nfs/dbraw/zinc/07/05/58/323070558.db2.gz WXLSQPAEEDKIQO-SNVBAGLBSA-N 0 3 246.351 0.136 20 0 BCADHN CCC1(C)CCN([C@H]2CC(=O)NC2=O)CC1 ZINC000572658719 323071114 /nfs/dbraw/zinc/07/11/14/323071114.db2.gz HKJLTETVZYFIKM-VIFPVBQESA-N 0 3 224.304 0.914 20 0 BCADHN CN1CCC(Nc2cc(=O)n(C)cn2)CC1 ZINC000570827725 323071971 /nfs/dbraw/zinc/07/19/71/323071971.db2.gz VIVQZZAQKPIPHI-UHFFFAOYSA-N 0 3 222.292 0.286 20 0 BCADHN CCCNC(=O)c1ccn(CCN(C)C)n1 ZINC000572659888 323072957 /nfs/dbraw/zinc/07/29/57/323072957.db2.gz SLIWTUQIPVZHCA-UHFFFAOYSA-N 0 3 224.308 0.585 20 0 BCADHN CC[C@@](C)(CO)C(=O)NC1CCN(C)CC1 ZINC000570940823 323076076 /nfs/dbraw/zinc/07/60/76/323076076.db2.gz WTXBYTJMXWJFIF-LBPRGKRZSA-N 0 3 228.336 0.605 20 0 BCADHN CNC(=O)c1cccc(CN[C@H](C)[C@@H](C)O)c1 ZINC000562983917 323077981 /nfs/dbraw/zinc/07/79/81/323077981.db2.gz BJEYFXRPTBOSNT-NXEZZACHSA-N 0 3 236.315 0.905 20 0 BCADHN C[C@H](CN[C@H]1CC1(C)C)S(C)(=O)=O ZINC000563007714 323079508 /nfs/dbraw/zinc/07/95/08/323079508.db2.gz MIEUCOSZYFECSQ-SFYZADRCSA-N 0 3 205.323 0.808 20 0 BCADHN C[C@H](O)CNCc1ccc2c(c1)C(=O)NCC2 ZINC000563014056 323079895 /nfs/dbraw/zinc/07/98/95/323079895.db2.gz PCARDJVLQPLNBE-VIFPVBQESA-N 0 3 234.299 0.443 20 0 BCADHN CC[C@@H]1CN(C)CCN1Cc1c[nH]cn1 ZINC000563023741 323080276 /nfs/dbraw/zinc/08/02/76/323080276.db2.gz LLTBHQXMKVBYTF-LLVKDONJSA-N 0 3 208.309 0.936 20 0 BCADHN CC[C@@H]1CN(C)CCN1Cc1cnc[nH]1 ZINC000563023741 323080277 /nfs/dbraw/zinc/08/02/77/323080277.db2.gz LLTBHQXMKVBYTF-LLVKDONJSA-N 0 3 208.309 0.936 20 0 BCADHN CC(C)OC[C@H](O)CN1CC[C@@H](C)[C@@H](O)C1 ZINC000221426058 323082013 /nfs/dbraw/zinc/08/20/13/323082013.db2.gz AREMVHUUFCQANW-UTUOFQBUSA-N 0 3 231.336 0.475 20 0 BCADHN O=C(CCOC1CNC1)N1CCCCC1 ZINC000309649692 323082626 /nfs/dbraw/zinc/08/26/26/323082626.db2.gz SEHBMXXPJJBBMP-UHFFFAOYSA-N 0 3 212.293 0.377 20 0 BCADHN CCCN[C@H](C)C(=O)Nc1cnn(C)c1 ZINC000563056424 323083527 /nfs/dbraw/zinc/08/35/27/323083527.db2.gz JPZNYCJJKSWRMM-MRVPVSSYSA-N 0 3 210.281 0.747 20 0 BCADHN Cn1nncc1CNCC1(CCO)CCCC1 ZINC000531191553 323084975 /nfs/dbraw/zinc/08/49/75/323084975.db2.gz FKYZTXKRPFODMW-UHFFFAOYSA-N 0 3 238.335 0.848 20 0 BCADHN COC[C@@H](NC(=O)N(C)CCN(C)C)C(C)C ZINC000531345964 323087748 /nfs/dbraw/zinc/08/77/48/323087748.db2.gz RFYKZAPRZADJHA-LLVKDONJSA-N 0 3 245.367 0.860 20 0 BCADHN CN(C)CCN(C)C(=O)COC[C@@H]1CCCO1 ZINC000531355924 323088026 /nfs/dbraw/zinc/08/80/26/323088026.db2.gz OXHRQJVWKKCZDL-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN CN(CCNc1nccn2nnnc12)C1CC1 ZINC000531380453 323088456 /nfs/dbraw/zinc/08/84/56/323088456.db2.gz MWUOGXSWCLWPPS-UHFFFAOYSA-N 0 3 233.279 0.025 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1nc2cccnc2[nH]1 ZINC000563089467 323091461 /nfs/dbraw/zinc/09/14/61/323091461.db2.gz 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233.271 0.146 20 0 BCADHN COC(=O)[C@@H](NC(=O)CN)c1ccsc1 ZINC000563160213 323097406 /nfs/dbraw/zinc/09/74/06/323097406.db2.gz MQTUPPOZVFGUPV-QMMMGPOBSA-N 0 3 228.273 0.037 20 0 BCADHN CNCC(=O)N(C)[C@H](CC(N)=O)c1ccccc1 ZINC000563160406 323097463 /nfs/dbraw/zinc/09/74/63/323097463.db2.gz ORDWUOXLDKROML-LLVKDONJSA-N 0 3 249.314 0.281 20 0 BCADHN CSc1ccnc(N2CC(N(C)C)C2)n1 ZINC000563242517 323106383 /nfs/dbraw/zinc/10/63/83/323106383.db2.gz RJIJAYSXZBLUBR-UHFFFAOYSA-N 0 3 224.333 0.949 20 0 BCADHN C[C@@H](CN(C)C1CCOCC1)CS(C)(=O)=O ZINC000531562035 323109990 /nfs/dbraw/zinc/10/99/90/323109990.db2.gz DCMYNGUXFOUSFF-JTQLQIEISA-N 0 3 249.376 0.778 20 0 BCADHN Cc1nn(C)cc1CNCCn1cccn1 ZINC000125990696 323114373 /nfs/dbraw/zinc/11/43/73/323114373.db2.gz DSPHKKNLVPSFJD-UHFFFAOYSA-N 0 3 219.292 0.715 20 0 BCADHN CN1CC[C@H](NC[C@H](O)CC(F)(F)F)C1=O ZINC000307940211 323119855 /nfs/dbraw/zinc/11/98/55/323119855.db2.gz BIQFOGQLZDPQMV-RQJHMYQMSA-N 0 3 240.225 0.120 20 0 BCADHN Cc1ncncc1[C@H](C)NCC(C)(C)C(N)=O ZINC000563417223 323123665 /nfs/dbraw/zinc/12/36/65/323123665.db2.gz KGTKVYWLPTVERL-QMMMGPOBSA-N 0 3 236.319 0.947 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000563411740 323124747 /nfs/dbraw/zinc/12/47/47/323124747.db2.gz JTOZFDIHBSZWMB-UWVGGRQHSA-N 0 3 249.318 0.097 20 0 BCADHN CN[C@@H](C)C(=O)NCCNc1cccc(C)n1 ZINC000563412492 323124776 /nfs/dbraw/zinc/12/47/76/323124776.db2.gz FWPZHEXAHDALCT-JTQLQIEISA-N 0 3 236.319 0.526 20 0 BCADHN C[C@@]1(O)C[C@H](NCc2c[nH]c3nccnc23)C1 ZINC000563593082 323130792 /nfs/dbraw/zinc/13/07/92/323130792.db2.gz MQUJCXYOVYFLRD-WVSHTKLVSA-N 0 3 232.287 0.913 20 0 BCADHN CN(C(=O)NC[C@@H]1CNCCO1)[C@@H]1CC1(C)C ZINC000563608908 323131430 /nfs/dbraw/zinc/13/14/30/323131430.db2.gz FQFWXVIZIKTDOO-VHSXEESVSA-N 0 3 241.335 0.415 20 0 BCADHN OC[C@H]1CCN(CCOCC2CCC2)C[C@@H]1O ZINC000563610918 323131476 /nfs/dbraw/zinc/13/14/76/323131476.db2.gz GCZGKAMEHAXHHY-OLZOCXBDSA-N 0 3 243.347 0.478 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCCOC[C@H]1CCCO1 ZINC000571142809 323136494 /nfs/dbraw/zinc/13/64/94/323136494.db2.gz IZWRYPDUGYHQKA-GRYCIOLGSA-N 0 3 245.319 0.185 20 0 BCADHN CNC(=O)CCCNCc1nc(C)c(C)[nH]1 ZINC000571226857 323138833 /nfs/dbraw/zinc/13/88/33/323138833.db2.gz YBUIGJQYXVYBMY-UHFFFAOYSA-N 0 3 224.308 0.642 20 0 BCADHN CN(C)[C@H]1CN(CC2CC(F)(F)C2)C[C@@H]1O ZINC000571341328 323142072 /nfs/dbraw/zinc/14/20/72/323142072.db2.gz KPOJYWBNZTXXNY-UWVGGRQHSA-N 0 3 234.290 0.638 20 0 BCADHN CN1CC[C@@H]2CN(c3ccnc(C(N)=O)c3)C[C@@H]21 ZINC000571512138 323146269 /nfs/dbraw/zinc/14/62/69/323146269.db2.gz CSXQUXGHMVDPOD-SKDRFNHKSA-N 0 3 246.314 0.321 20 0 BCADHN C[C@H](CC(N)=O)NCc1ccc2cnn(C)c2c1 ZINC000571610702 323149206 /nfs/dbraw/zinc/14/92/06/323149206.db2.gz ANZIPXMBEBSVAM-SECBINFHSA-N 0 3 246.314 0.927 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1cnc(C2CC2)nc1 ZINC000571655789 323151371 /nfs/dbraw/zinc/15/13/71/323151371.db2.gz SAZUAHTXHIBBTO-VIFPVBQESA-N 0 3 248.330 0.621 20 0 BCADHN CN1CC[C@@H]2CCN(C(=O)c3cccnn3)[C@@H]2C1 ZINC000528985210 323151938 /nfs/dbraw/zinc/15/19/38/323151938.db2.gz OQOIUNBNGYXWID-ZYHUDNBSSA-N 0 3 246.314 0.643 20 0 BCADHN CN(C)Cc1cccc(NC(=O)C(=O)N(C)C)c1 ZINC000048757501 323154847 /nfs/dbraw/zinc/15/48/47/323154847.db2.gz PTGMKEDFSGDWRV-UHFFFAOYSA-N 0 3 249.314 0.775 20 0 BCADHN CC[C@@H](NC[C@](C)(O)COC)c1cnn(C)c1 ZINC000531966940 323159770 /nfs/dbraw/zinc/15/97/70/323159770.db2.gz CITGULXUFKUTTK-NEPJUHHUSA-N 0 3 241.335 0.858 20 0 BCADHN CCN1C[C@@H](C)N(CC2(CO)COC2)C[C@@H]1C ZINC000535027140 323163346 /nfs/dbraw/zinc/16/33/46/323163346.db2.gz XMAFVXRYRIEQOB-NWDGAFQWSA-N 0 3 242.363 0.410 20 0 BCADHN CCN1C[C@H](C)N(Cc2nncn2C)C[C@@H]1C ZINC000535026921 323163353 /nfs/dbraw/zinc/16/33/53/323163353.db2.gz ZEEMXPPPXZHURK-QWRGUYRKSA-N 0 3 237.351 0.730 20 0 BCADHN C[C@H](O)[C@H]1CCCN(CC(=O)N(C)C)C1 ZINC000305198362 323168214 /nfs/dbraw/zinc/16/82/14/323168214.db2.gz UVELSNJVOQFSLL-UWVGGRQHSA-N 0 3 214.309 0.167 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)NCCNc1ccncc1 ZINC000535260247 323169202 /nfs/dbraw/zinc/16/92/02/323169202.db2.gz HCOZVCHQNFTHMW-MNOVXSKESA-N 0 3 248.330 0.871 20 0 BCADHN C[C@@H](O)[C@H]1CCCN(CCN2CCCC2=O)C1 ZINC000305655500 323170976 /nfs/dbraw/zinc/17/09/76/323170976.db2.gz WAZRUGHHRPWQGF-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN Cc1cc(C(=O)N2CCC[C@H]2CN(C)C)ncn1 ZINC000535347739 323171151 /nfs/dbraw/zinc/17/11/51/323171151.db2.gz WKHCZUWOTYCXCB-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CSCCN1CC[C@H](CO)[C@H](O)C1 ZINC000308294438 323173470 /nfs/dbraw/zinc/17/34/70/323173470.db2.gz HFTWAFLQDJKOMZ-RKDXNWHRSA-N 0 3 205.323 0.025 20 0 BCADHN CNC(=O)CN1CCC[C@@H]1CSC ZINC000128169355 323174367 /nfs/dbraw/zinc/17/43/67/323174367.db2.gz KNPAOKISWKVYOH-MRVPVSSYSA-N 0 3 202.323 0.560 20 0 BCADHN CC[C@H](O)CNC[C@@](C)(O)C(F)(F)F ZINC000308565754 323175876 /nfs/dbraw/zinc/17/58/76/323175876.db2.gz HPBVKMWLDVMQMI-NKWVEPMBSA-N 0 3 215.215 0.660 20 0 BCADHN CO[C@H](C)[C@H](C)NC[C@@H](C)S(C)(=O)=O ZINC000308633375 323176555 /nfs/dbraw/zinc/17/65/55/323176555.db2.gz ZVWIOZYJNYBOJN-HRDYMLBCSA-N 0 3 223.338 0.433 20 0 BCADHN C[C@H](CN[C@@H]1CCCSC1)S(C)(=O)=O ZINC000308662407 323176654 /nfs/dbraw/zinc/17/66/54/323176654.db2.gz QTKCNWHLHOBWKV-RKDXNWHRSA-N 0 3 237.390 0.905 20 0 BCADHN CCN1C[C@H](N[C@@H]2C[C@@H](C)O[C@H]2C)CC1=O ZINC000391546685 323176790 /nfs/dbraw/zinc/17/67/90/323176790.db2.gz QORYHJTXAMGESK-LMLFDSFASA-N 0 3 226.320 0.763 20 0 BCADHN CC1=C[C@@H](C)CN(CCN2C(=O)CNC2=O)C1 ZINC000563768624 323177211 /nfs/dbraw/zinc/17/72/11/323177211.db2.gz URSXRYFCKOUUNL-SECBINFHSA-N 0 3 237.303 0.436 20 0 BCADHN C[C@@H]1CN(CC[C@H]2CCNC2=O)[C@@H](C)CO1 ZINC000563856310 323181024 /nfs/dbraw/zinc/18/10/24/323181024.db2.gz TZUZUSBRMXUAIZ-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN CN(C[C@H]1CCCN1C)[C@@H]1CCCN(C)C1=O ZINC000563855738 323181113 /nfs/dbraw/zinc/18/11/13/323181113.db2.gz UOGOPDGIYACZIM-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN CN1CCN(C)[C@@H](CNCC2(F)CC2)C1 ZINC000308929849 323181781 /nfs/dbraw/zinc/18/17/81/323181781.db2.gz JDBGPYOXEISYDQ-JTQLQIEISA-N 0 3 215.316 0.324 20 0 BCADHN CC[C@@H]1CN(C[C@H](O)COC)C[C@@H](CC)O1 ZINC000398561900 323186343 /nfs/dbraw/zinc/18/63/43/323186343.db2.gz GGIGRSXHSCIELR-QJPTWQEYSA-N 0 3 231.336 0.883 20 0 BCADHN CCN(C(=O)[C@H]1CN2CCN1CCC2)C(C)C ZINC000535714758 323189192 /nfs/dbraw/zinc/18/91/92/323189192.db2.gz CCPAMHRZQSJDSM-GFCCVEGCSA-N 0 3 239.363 0.633 20 0 BCADHN COC[C@H](O)CN1CCC(OC(C)C)CC1 ZINC000535787770 323191500 /nfs/dbraw/zinc/19/15/00/323191500.db2.gz MTROCCHFWSVENN-LLVKDONJSA-N 0 3 231.336 0.883 20 0 BCADHN O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccncc1[O-] ZINC000519395084 323198603 /nfs/dbraw/zinc/19/86/03/323198603.db2.gz ZPMLWRGEPJJVLG-SECBINFHSA-N 0 3 235.287 0.537 20 0 BCADHN C[C@H](NC[C@H]1COCCN1)c1cnccc1N ZINC000530226278 323219537 /nfs/dbraw/zinc/21/95/37/323219537.db2.gz QXPXYBYAGDNMSH-UWVGGRQHSA-N 0 3 236.319 0.133 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)[C@@H](O)C1CC1 ZINC000668575662 487957530 /nfs/dbraw/zinc/95/75/30/487957530.db2.gz MENYQLBHDDNMAQ-NEPJUHHUSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC[C@@H](O)C(C)(C)C ZINC000324438465 323233888 /nfs/dbraw/zinc/23/38/88/323233888.db2.gz RYSHBLWHGVMIHV-WCBMZHEXSA-N 0 3 228.336 0.650 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC[C@H](O)C(C)(C)C ZINC000324438466 323234140 /nfs/dbraw/zinc/23/41/40/323234140.db2.gz RYSHBLWHGVMIHV-WPRPVWTQSA-N 0 3 228.336 0.650 20 0 BCADHN CCN(CC)CC(=O)NC1(COC)CC1 ZINC000532527296 323274906 /nfs/dbraw/zinc/27/49/06/323274906.db2.gz TWAMOPCPCBPMMU-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CN(CCN1CCCCC1)Cc1nnnn1C ZINC000532645538 323286629 /nfs/dbraw/zinc/28/66/29/323286629.db2.gz SKBRMIQRYWIPSG-UHFFFAOYSA-N 0 3 238.339 0.128 20 0 BCADHN Cc1nnccc1C(=O)NC[C@H]1CCCN1C ZINC000532798031 323299488 /nfs/dbraw/zinc/29/94/88/323299488.db2.gz KAIYHIUOFYUBFS-SNVBAGLBSA-N 0 3 234.303 0.609 20 0 BCADHN CC[C@@H](C(=O)N1CCN(C2CC2)CC1)N(C)C ZINC000152467094 323332354 /nfs/dbraw/zinc/33/23/54/323332354.db2.gz LRKMCNIZDAYQEK-LBPRGKRZSA-N 0 3 239.363 0.633 20 0 BCADHN CC(C)=CCNC(=O)NC[C@@H]1CNCCO1 ZINC000418084073 323347439 /nfs/dbraw/zinc/34/74/39/323347439.db2.gz UTQRXHVUSUSHIW-JTQLQIEISA-N 0 3 227.308 0.240 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NCc2ccc(=O)[nH]c2)C1 ZINC000392736676 323384936 /nfs/dbraw/zinc/38/49/36/323384936.db2.gz RRBGLBFTYXQDQI-KOLCDFICSA-N 0 3 249.314 0.792 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)CC(C)(C)O)C1 ZINC000525935105 323386982 /nfs/dbraw/zinc/38/69/82/323386982.db2.gz XGVNFTGTMSFDBO-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN Cc1c([C@H](C)NCCC(N)=O)cnn1C ZINC000571754910 323472671 /nfs/dbraw/zinc/47/26/71/323472671.db2.gz RHFKVJKQTXJTOM-ZETCQYMHSA-N 0 3 210.281 0.255 20 0 BCADHN CN(C)[C@H]1CN(Cc2ccncc2F)C[C@@H]1O ZINC000571816836 323485436 /nfs/dbraw/zinc/48/54/36/323485436.db2.gz CVBGYPVJPRAMOT-RYUDHWBXSA-N 0 3 239.294 0.327 20 0 BCADHN C[C@@]1(CNC(=O)CN)COc2ccccc2O1 ZINC000083887832 487958717 /nfs/dbraw/zinc/95/87/17/487958717.db2.gz MHOHMRSIJIGMNU-GFCCVEGCSA-N 0 3 236.271 0.291 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000041679501 487959399 /nfs/dbraw/zinc/95/93/99/487959399.db2.gz ICPWNPBRXWTAAE-DTWKUNHWSA-N 0 3 216.325 0.759 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@H]1COC(C)(C)C1 ZINC000396830303 323658468 /nfs/dbraw/zinc/65/84/68/323658468.db2.gz QBWJHNNRCKSUGV-RKDXNWHRSA-N 0 3 214.309 0.668 20 0 BCADHN COC[C@@H](N[C@@H]1CCN(C)C1=O)C1CC1 ZINC000136634743 323672198 /nfs/dbraw/zinc/67/21/98/323672198.db2.gz MENRPVVCVUBIFS-NXEZZACHSA-N 0 3 212.293 0.232 20 0 BCADHN COc1ccc2c(c1)CCN(C(=O)CN)C2 ZINC000083888083 487959575 /nfs/dbraw/zinc/95/95/75/487959575.db2.gz OYIRPMOBEMRDQB-UHFFFAOYSA-N 0 3 220.272 0.539 20 0 BCADHN Cc1nn(C)cc1CNCC12CC(C1)CO2 ZINC000527789363 323696078 /nfs/dbraw/zinc/69/60/78/323696078.db2.gz JOKNRFORWHJWQD-UHFFFAOYSA-N 0 3 221.304 0.997 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000527999188 323734776 /nfs/dbraw/zinc/73/47/76/323734776.db2.gz CRDJOWFEVGUFBD-XXFSISAASA-N 0 3 249.376 0.821 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000083891324 487960444 /nfs/dbraw/zinc/96/04/44/487960444.db2.gz BZIAPZCHYXLRNJ-OPRDCNLKSA-N 0 3 214.309 0.389 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000036871754 323765705 /nfs/dbraw/zinc/76/57/05/323765705.db2.gz HIXLDNLIWAFXSU-XHNCKOQMSA-N 0 3 200.282 0.360 20 0 BCADHN Cc1nnccc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000677053905 487960697 /nfs/dbraw/zinc/96/06/97/487960697.db2.gz OFBDJIFCOLXNOR-NSHDSACASA-N 0 3 248.330 0.857 20 0 BCADHN COCC1(NCc2cnc3cnccn23)CC1 ZINC000533008017 323809323 /nfs/dbraw/zinc/80/93/23/323809323.db2.gz ZICRBJYORKNQCJ-UHFFFAOYSA-N 0 3 232.287 0.998 20 0 BCADHN CCCNC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424436560 323860587 /nfs/dbraw/zinc/86/05/87/323860587.db2.gz HQZXZJJBTWJVHH-UHFFFAOYSA-N 0 3 249.314 0.918 20 0 BCADHN CCCCNC(=O)NCCN(C)CCOC ZINC000122134877 324030119 /nfs/dbraw/zinc/03/01/19/324030119.db2.gz WMNUMYGEWBJVDV-UHFFFAOYSA-N 0 3 231.340 0.664 20 0 BCADHN CCN(CC)C(=O)NCCN(C)CCOC ZINC000122136082 324030315 /nfs/dbraw/zinc/03/03/15/324030315.db2.gz SBUZSLMXDKRUTF-UHFFFAOYSA-N 0 3 231.340 0.616 20 0 BCADHN CNC(=O)CCN(C)C[C@@H]1CCCCO1 ZINC000060494592 324034167 /nfs/dbraw/zinc/03/41/67/324034167.db2.gz PZELNTCYHPMKHZ-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN COCC(C)(C)NCCCS(C)(=O)=O ZINC000122427610 324044432 /nfs/dbraw/zinc/04/44/32/324044432.db2.gz DHFKBPNWQVAIFS-UHFFFAOYSA-N 0 3 223.338 0.436 20 0 BCADHN COC[C@H](C)N[C@@H](C)CCS(C)(=O)=O ZINC000123289928 324107879 /nfs/dbraw/zinc/10/78/79/324107879.db2.gz VIWYXNADVDPEHK-IUCAKERBSA-N 0 3 223.338 0.434 20 0 BCADHN Cc1ncc(CN[C@H](C)C[C@@H](C)O)n1C ZINC000516194389 324116772 /nfs/dbraw/zinc/11/67/72/324116772.db2.gz GBYMJOXCZVBUMW-RKDXNWHRSA-N 0 3 211.309 0.978 20 0 BCADHN CCC[C@@H](O)[C@@H](CO)NCc1cnc(C)n1C ZINC000572498358 324134628 /nfs/dbraw/zinc/13/46/28/324134628.db2.gz PZVCMUXCOGLEMM-VXGBXAGGSA-N 0 3 241.335 0.340 20 0 BCADHN N[C@@H](C(=O)Nc1ccc2nncn2c1)C1CCC1 ZINC000517731246 324176302 /nfs/dbraw/zinc/17/63/02/324176302.db2.gz SZSHDDARYPAVIS-LLVKDONJSA-N 0 3 245.286 0.795 20 0 BCADHN N[C@H](C(=O)Nc1ccc2nncn2c1)C1CCC1 ZINC000517731249 324176324 /nfs/dbraw/zinc/17/63/24/324176324.db2.gz SZSHDDARYPAVIS-NSHDSACASA-N 0 3 245.286 0.795 20 0 BCADHN CC[C@H](C)[C@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000572519554 324178805 /nfs/dbraw/zinc/17/88/05/324178805.db2.gz MKAFZVYZCVIYCI-SRVKXCTJSA-N 0 3 241.379 0.770 20 0 BCADHN C[C@@H](O)CN1CCC(CC(=O)N(C)C)CC1 ZINC000192791356 324200042 /nfs/dbraw/zinc/20/00/42/324200042.db2.gz MIVPVOORMCUECW-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000229243042 324204249 /nfs/dbraw/zinc/20/42/49/324204249.db2.gz LBPOXDWDKJUCQY-DJLDLDEBSA-N 0 3 228.292 0.052 20 0 BCADHN CN1CC[C@H]2CCN(C(=O)c3cccnn3)[C@@H]2C1 ZINC000528985207 324229206 /nfs/dbraw/zinc/22/92/06/324229206.db2.gz OQOIUNBNGYXWID-CMPLNLGQSA-N 0 3 246.314 0.643 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CS[C@@H](C)C1 ZINC000227506584 487962780 /nfs/dbraw/zinc/96/27/80/487962780.db2.gz BIOMLZICFDWTNZ-VGMNWLOBSA-N 0 3 237.390 0.903 20 0 BCADHN Cc1cocc1C(=O)N[C@H](CO)CN(C)C ZINC000529389543 324284957 /nfs/dbraw/zinc/28/49/57/324284957.db2.gz UTZXLFXIGJEMDR-VIFPVBQESA-N 0 3 226.276 0.240 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCCC12CC2 ZINC000529389593 324285250 /nfs/dbraw/zinc/28/52/50/324285250.db2.gz UYUXHWCDKPEZEH-GHMZBOCLSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)NCC1COC1 ZINC000530116491 324477815 /nfs/dbraw/zinc/47/78/15/324477815.db2.gz QPACEXFDUZAWKE-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1ncccc1CNC[C@@H]1COCCN1 ZINC000530180557 324511822 /nfs/dbraw/zinc/51/18/22/324511822.db2.gz CXTUTNNLGYKFKW-GFCCVEGCSA-N 0 3 221.304 0.468 20 0 BCADHN CCCN[C@H](C)C(=O)N[C@H](C)C(=O)NCC ZINC000059522106 487963855 /nfs/dbraw/zinc/96/38/55/487963855.db2.gz DRLICHGIRIKAFS-RKDXNWHRSA-N 0 3 229.324 0.015 20 0 BCADHN C[S@@](=O)CCCNCc1ccc(CO)o1 ZINC000126878513 324728754 /nfs/dbraw/zinc/72/87/54/324728754.db2.gz UEWZCQZNZOZQFK-HNNXBMFYSA-N 0 3 231.317 0.630 20 0 BCADHN C[C@@H]1CCCN1C(=O)CCN(C)CCO ZINC000304332417 533707247 /nfs/dbraw/zinc/70/72/47/533707247.db2.gz VQOLQUIMNGRMKD-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN CN(C)C(=O)CCN(C)c1ccncc1 ZINC000540923413 324931771 /nfs/dbraw/zinc/93/17/71/324931771.db2.gz VASSFVZKARPKPP-UHFFFAOYSA-N 0 3 207.277 0.996 20 0 BCADHN Cc1cc(C(=O)N(C)CCN2CCCC2)ncn1 ZINC000129258052 324932579 /nfs/dbraw/zinc/93/25/79/324932579.db2.gz QQACBQGNHLZLRF-UHFFFAOYSA-N 0 3 248.330 0.953 20 0 BCADHN Cn1nncc1CNCCc1ccccn1 ZINC000129679223 324973404 /nfs/dbraw/zinc/97/34/04/324973404.db2.gz XPJCPNSQARBZSA-UHFFFAOYSA-N 0 3 217.276 0.542 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)c1cc[nH]c(=O)c1 ZINC000230181845 325008943 /nfs/dbraw/zinc/00/89/43/325008943.db2.gz IMMYJLDJNUWOOT-JTQLQIEISA-N 0 3 247.298 0.341 20 0 BCADHN CC[C@@H](N)C(=O)N(C)Cc1nccn1C(F)F ZINC000130346322 325043977 /nfs/dbraw/zinc/04/39/77/325043977.db2.gz MIBCFEHCYJBARL-SSDOTTSWSA-N 0 3 246.261 0.974 20 0 BCADHN CN(C(=O)c1nc[nH]n1)[C@@H]1CCN(C2CC2)C1 ZINC000542834142 325056460 /nfs/dbraw/zinc/05/64/60/325056460.db2.gz XXEDWLYXQSXONH-SECBINFHSA-N 0 3 235.291 0.113 20 0 BCADHN CN(C(=O)c1nc[n-]n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000542834142 325056464 /nfs/dbraw/zinc/05/64/64/325056464.db2.gz XXEDWLYXQSXONH-SECBINFHSA-N 0 3 235.291 0.113 20 0 BCADHN CN(C(=O)c1nc[n-]n1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000542834142 325056467 /nfs/dbraw/zinc/05/64/67/325056467.db2.gz XXEDWLYXQSXONH-SECBINFHSA-N 0 3 235.291 0.113 20 0 BCADHN C[C@@H](C(N)=O)N1CCc2ccccc2CC1 ZINC000071202984 325061772 /nfs/dbraw/zinc/06/17/72/325061772.db2.gz BPCDOUOHSMWFHU-JTQLQIEISA-N 0 3 218.300 0.961 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@@H](C)CN(C)C ZINC000130683023 325080141 /nfs/dbraw/zinc/08/01/41/325080141.db2.gz BYMZNVWDMAVTFO-ZETCQYMHSA-N 0 3 210.281 0.398 20 0 BCADHN CN(C)CCOCCNC(=O)[C@]1(C)CCOC1 ZINC000544537441 325146636 /nfs/dbraw/zinc/14/66/36/325146636.db2.gz YVWAFZSZKZEHBW-GFCCVEGCSA-N 0 3 244.335 0.107 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC000131441545 325151630 /nfs/dbraw/zinc/15/16/30/325151630.db2.gz NIFSSIVDHVAWJW-ZJUUUORDSA-N 0 3 244.335 0.642 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@]1(C)CO ZINC000544759497 325158363 /nfs/dbraw/zinc/15/83/63/325158363.db2.gz HZQBSCJUOHIIPR-LLVKDONJSA-N 0 3 214.309 0.312 20 0 BCADHN CN1CC[C@](O)(CNC(=O)NCC2(C)CC2)C1 ZINC000545176765 325183118 /nfs/dbraw/zinc/18/31/18/325183118.db2.gz PGOQLHOEVSVUAA-LBPRGKRZSA-N 0 3 241.335 0.152 20 0 BCADHN Cn1cc(CN2CCC[C@]2(C)CO)cn1 ZINC000546103764 325265751 /nfs/dbraw/zinc/26/57/51/325265751.db2.gz JRFDHDAYCRVMSV-LLVKDONJSA-N 0 3 209.293 0.767 20 0 BCADHN C[C@]1(CO)CCCN1CCn1cncn1 ZINC000546811540 325312536 /nfs/dbraw/zinc/31/25/36/325312536.db2.gz GKEQEINIJBQNKA-SNVBAGLBSA-N 0 3 210.281 0.125 20 0 BCADHN COC[C@@H](NC(=O)NCCN(C)C)C(C)C ZINC000133750775 325316270 /nfs/dbraw/zinc/31/62/70/325316270.db2.gz JYNDGCFMAXJLOV-SNVBAGLBSA-N 0 3 231.340 0.518 20 0 BCADHN CN1CCC(NC(=O)C[C@@H]2CCCO2)CC1 ZINC000076266424 325338525 /nfs/dbraw/zinc/33/85/25/325338525.db2.gz JCVQNCXLVBCKDW-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)N2CCOCC2)C1 ZINC000134305594 325353089 /nfs/dbraw/zinc/35/30/89/325353089.db2.gz MFNMJSWRVQQRPI-LLVKDONJSA-N 0 3 241.335 0.465 20 0 BCADHN CC(C)(CO)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000547542567 325371410 /nfs/dbraw/zinc/37/14/10/325371410.db2.gz DDJJDROWIIJVSX-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN CNC(=O)NC(=O)CN1CCCC1(C)C ZINC000077382748 325376593 /nfs/dbraw/zinc/37/65/93/325376593.db2.gz ZBEWWKOVUCLOAU-UHFFFAOYSA-N 0 3 213.281 0.316 20 0 BCADHN C[C@@H](CNC(=O)c1ccncn1)N1CCCC1 ZINC000547665036 325381488 /nfs/dbraw/zinc/38/14/88/325381488.db2.gz CHYBSUPOSOEPMF-JTQLQIEISA-N 0 3 234.303 0.691 20 0 BCADHN CCN(C)S(=O)(=O)NC[C@@H](C)N1CCCC1 ZINC000548041533 325422988 /nfs/dbraw/zinc/42/29/88/325422988.db2.gz UIXQNNPQDCOVER-SNVBAGLBSA-N 0 3 249.380 0.257 20 0 BCADHN CNC(=O)N(CCN(C)C)CC(C)C ZINC000079440541 325453841 /nfs/dbraw/zinc/45/38/41/325453841.db2.gz XADHSUKXOVYWPE-UHFFFAOYSA-N 0 3 201.314 0.845 20 0 BCADHN NC(=O)NC(=O)CCNCc1ccc(F)cc1 ZINC000548832156 325487139 /nfs/dbraw/zinc/48/71/39/325487139.db2.gz MPCURGUEAFKMDU-UHFFFAOYSA-N 0 3 239.250 0.500 20 0 BCADHN Cc1nocc1CNC[C@H](CO)[C@@H]1CCOC1 ZINC000550216258 325526278 /nfs/dbraw/zinc/52/62/78/325526278.db2.gz UTKXDXBXVPUAQD-GHMZBOCLSA-N 0 3 240.303 0.718 20 0 BCADHN CC[C@]1(C)C[C@@H]1C(=O)NC[C@@](C)(O)CN(C)C ZINC000246468601 325565678 /nfs/dbraw/zinc/56/56/78/325565678.db2.gz FBUVMBBAWNPBAK-RAIGVLPGSA-N 0 3 242.363 0.851 20 0 BCADHN COC[C@H](N[C@@H](C)CS(C)(=O)=O)C(C)C ZINC000083398803 325567932 /nfs/dbraw/zinc/56/79/32/325567932.db2.gz GNUDXOUKXXPFLI-UWVGGRQHSA-N 0 3 237.365 0.680 20 0 BCADHN NC1(C(=O)N2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000083835623 325573867 /nfs/dbraw/zinc/57/38/67/325573867.db2.gz WGMREITVGONYLC-IUCAKERBSA-N 0 3 210.277 0.258 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H](O)[C@@H](C)C1)N(C)C ZINC000249518733 325653255 /nfs/dbraw/zinc/65/32/55/325653255.db2.gz TVGFYJQAOPNSDA-HBNTYKKESA-N 0 3 228.336 0.556 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCC[C@H]1OC ZINC000252730956 325693477 /nfs/dbraw/zinc/69/34/77/325693477.db2.gz NPUNOLGZJBHOTG-HBNTYKKESA-N 0 3 249.376 0.967 20 0 BCADHN CCCC[C@H](COC)N[C@@H]1COC[C@H]1O ZINC000253625155 325729592 /nfs/dbraw/zinc/72/95/92/325729592.db2.gz WGWCIWJGAPIUEQ-GMTAPVOTSA-N 0 3 217.309 0.541 20 0 BCADHN Cc1nocc1CNCCN1CCO[C@@H](C)C1 ZINC000555537764 325760947 /nfs/dbraw/zinc/76/09/47/325760947.db2.gz WDVFOMJCIXSYIX-JTQLQIEISA-N 0 3 239.319 0.793 20 0 BCADHN c1c[nH]c(N2CCN(C[C@H]3CCOC3)CC2)n1 ZINC000556065497 325776579 /nfs/dbraw/zinc/77/65/79/325776579.db2.gz HSJQMHAFBYKPKJ-LLVKDONJSA-N 0 3 236.319 0.568 20 0 BCADHN Cc1c[nH]cc(C(=O)N(C)[C@H](CN)C2CC2)c1=O ZINC000564451254 325793070 /nfs/dbraw/zinc/79/30/70/325793070.db2.gz JZQCWDKDFOSCJN-LLVKDONJSA-N 0 3 249.314 0.493 20 0 BCADHN C[C@H](O)CN[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000564443260 325793128 /nfs/dbraw/zinc/79/31/28/325793128.db2.gz KIKPXQZFZCMZRO-VWYCJHECSA-N 0 3 228.336 0.746 20 0 BCADHN COC(=O)CCCCNC(=O)[C@H](C)NC1CC1 ZINC000564653184 325801447 /nfs/dbraw/zinc/80/14/47/325801447.db2.gz QKXHUCXZMJDLSD-VIFPVBQESA-N 0 3 242.319 0.586 20 0 BCADHN CC1CCN(CCN(C)CC(=O)N(C)C)CC1 ZINC000152891132 325811899 /nfs/dbraw/zinc/81/18/99/325811899.db2.gz HYRCSHQDKHSKQJ-UHFFFAOYSA-N 0 3 241.379 0.738 20 0 BCADHN C[C@@H](CNCCc1nccs1)S(C)(=O)=O ZINC000564847229 325816442 /nfs/dbraw/zinc/81/64/42/325816442.db2.gz KXXJHOWOFPBCCY-QMMMGPOBSA-N 0 3 248.373 0.708 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cnc(N(C)C)nc1 ZINC000152914347 325816547 /nfs/dbraw/zinc/81/65/47/325816547.db2.gz HJSAOZVYWILGCN-MRVPVSSYSA-N 0 3 223.280 0.218 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000564929188 325827395 /nfs/dbraw/zinc/82/73/95/325827395.db2.gz KKGBMXAYFQXKQK-ZYUZMQFOSA-N 0 3 226.320 0.653 20 0 BCADHN CC[C@@H](N)C(=O)N(C)Cc1cnn(CC)c1 ZINC000565536778 325924339 /nfs/dbraw/zinc/92/43/39/325924339.db2.gz DQGQKOLSVKBLHV-SNVBAGLBSA-N 0 3 224.308 0.599 20 0 BCADHN CCn1cccc(CN[C@@H](C)[C@@H](C)O)c1=O ZINC000565889093 325969667 /nfs/dbraw/zinc/96/96/67/325969667.db2.gz XUPMMYUNYBREHP-VHSXEESVSA-N 0 3 224.304 0.727 20 0 BCADHN CCn1cccc(CN[C@H](C)[C@@H](C)O)c1=O ZINC000565889080 325970015 /nfs/dbraw/zinc/97/00/15/325970015.db2.gz XUPMMYUNYBREHP-NXEZZACHSA-N 0 3 224.304 0.727 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000566095162 325993850 /nfs/dbraw/zinc/99/38/50/325993850.db2.gz ZQCUOVGUTBGPJW-GRYCIOLGSA-N 0 3 238.331 0.609 20 0 BCADHN C[C@@](O)(CN[C@H]1[C@@H]2COC[C@@H]21)C(F)(F)F ZINC000566125451 325999898 /nfs/dbraw/zinc/99/98/98/325999898.db2.gz SICVOIGMVNKEGM-VGRMVHKJSA-N 0 3 225.210 0.534 20 0 BCADHN CC(C)O[C@@H]1CCN([C@@H](C)C(=O)N(C)C)C1 ZINC000566172796 326006262 /nfs/dbraw/zinc/00/62/62/326006262.db2.gz GWDQGQSPFYOWNL-WDEREUQCSA-N 0 3 228.336 0.962 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1nnc2n1CCCC2 ZINC000566198096 326011325 /nfs/dbraw/zinc/01/13/25/326011325.db2.gz XMBQWHQVIFWUHC-SECBINFHSA-N 0 3 237.307 0.536 20 0 BCADHN CCCN[C@H](C)C(=O)NC(C)(C)C(=O)N(C)C ZINC000566247856 326023408 /nfs/dbraw/zinc/02/34/08/326023408.db2.gz VNTUYAIOALVTHD-SECBINFHSA-N 0 3 243.351 0.358 20 0 BCADHN NCC(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000566250473 326023889 /nfs/dbraw/zinc/02/38/89/326023889.db2.gz AITCGBXNCFMLGV-SECBINFHSA-N 0 3 249.318 0.347 20 0 BCADHN [NH3+]CC(=O)N1CCC[C@@H](c2nnc(C3CC3)[n-]2)C1 ZINC000566250473 326023891 /nfs/dbraw/zinc/02/38/91/326023891.db2.gz AITCGBXNCFMLGV-SECBINFHSA-N 0 3 249.318 0.347 20 0 BCADHN O=C1NCC[C@@]12CCCN2CCC1(O)CCC1 ZINC000566425108 326044583 /nfs/dbraw/zinc/04/45/83/326044583.db2.gz STBVTLLLUSVANH-ZDUSSCGKSA-N 0 3 238.331 0.646 20 0 BCADHN C[C@@H](CCO)CNC(=O)CN1CC[C@@H](C)C1 ZINC000566440240 326047830 /nfs/dbraw/zinc/04/78/30/326047830.db2.gz BPEXZARDUYFSCU-WDEREUQCSA-N 0 3 228.336 0.463 20 0 BCADHN C[C@@H]1CCC[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000566451169 326049456 /nfs/dbraw/zinc/04/94/56/326049456.db2.gz AQPYJIWTHKJFEV-RHYQMDGZSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@H](C(=O)NCC1(N(C)C)CC1)N1CC(C)C1 ZINC000566467763 326052171 /nfs/dbraw/zinc/05/21/71/326052171.db2.gz YTTBEMXHAONWRQ-LLVKDONJSA-N 0 3 239.363 0.537 20 0 BCADHN CN[C@H](C)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000566469187 326052662 /nfs/dbraw/zinc/05/26/62/326052662.db2.gz BSPQOXDUGHFSQZ-ZYUZMQFOSA-N 0 3 212.293 0.278 20 0 BCADHN COC[C@H](CC(C)C)NC1CN(C(C)=O)C1 ZINC000566474688 326053578 /nfs/dbraw/zinc/05/35/78/326053578.db2.gz HGYCUUMDDXAJJF-NSHDSACASA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC000566618870 326068457 /nfs/dbraw/zinc/06/84/57/326068457.db2.gz LTXLVNZZVFNQSG-UTLUCORTSA-N 0 3 214.309 0.798 20 0 BCADHN Cc1c(NC(=O)[C@@H](C)NC2CC2)cnn1C ZINC000566618861 326068553 /nfs/dbraw/zinc/06/85/53/326068553.db2.gz LCVXQELXCVDTQP-SSDOTTSWSA-N 0 3 222.292 0.808 20 0 BCADHN COC(=O)[C@](C)(NC(=O)CNC(C)C)C1CC1 ZINC000566630790 326070736 /nfs/dbraw/zinc/07/07/36/326070736.db2.gz DXNDKAHJKZEENP-GFCCVEGCSA-N 0 3 242.319 0.442 20 0 BCADHN CCc1ncncc1C(=O)NCC1(N(C)C)CC1 ZINC000566667212 326072421 /nfs/dbraw/zinc/07/24/21/326072421.db2.gz NPOJMPQMXQPCEP-UHFFFAOYSA-N 0 3 248.330 0.863 20 0 BCADHN CNC(=O)CCCN1CCCC[C@]1(C)C(N)=O ZINC000566686747 326074759 /nfs/dbraw/zinc/07/47/59/326074759.db2.gz QDOWFQQVSDONRJ-GFCCVEGCSA-N 0 3 241.335 0.243 20 0 BCADHN CCn1nnc(C)c1CN[C@@H]1CC[C@H]1O ZINC000566732353 326077618 /nfs/dbraw/zinc/07/76/18/326077618.db2.gz FPGVAFHKMJLRIJ-PSASIEDQSA-N 0 3 210.281 0.219 20 0 BCADHN CC(C)N1CC[C@H](N[C@H](C)[C@H](C)O)C1=O ZINC000566911077 326092959 /nfs/dbraw/zinc/09/29/59/326092959.db2.gz SNEOOEOTINGUFQ-UTLUCORTSA-N 0 3 214.309 0.355 20 0 BCADHN CC(C)CO[C@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000566967943 326096135 /nfs/dbraw/zinc/09/61/35/326096135.db2.gz UOHKQOWQSQQHOP-MNOVXSKESA-N 0 3 244.335 0.152 20 0 BCADHN OCCCN(CCO)CCc1ccncc1 ZINC000264717663 326114943 /nfs/dbraw/zinc/11/49/43/326114943.db2.gz MMAQZRFIEGOYBD-UHFFFAOYSA-N 0 3 224.304 0.301 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)C1(N)CCC1 ZINC000567107679 326117102 /nfs/dbraw/zinc/11/71/02/326117102.db2.gz MFEILTCTLWRIHS-VIFPVBQESA-N 0 3 214.309 0.391 20 0 BCADHN CN(C(=O)[C@@H]1CCOC1)[C@@H]1CCCN(C)C1 ZINC000153928208 326120906 /nfs/dbraw/zinc/12/09/06/326120906.db2.gz LEDHBHQPQZEBOI-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN COC[C@H](C)NC[C@H](C)S(C)(=O)=O ZINC000308278690 326124181 /nfs/dbraw/zinc/12/41/81/326124181.db2.gz WSNRANZQCZLPRN-YUMQZZPRSA-N 0 3 209.311 0.044 20 0 BCADHN C[C@H](O)CCNC(C)(C)C(=O)N(C)C ZINC000567162054 326126851 /nfs/dbraw/zinc/12/68/51/326126851.db2.gz GVSLKSYAYRPQDL-QMMMGPOBSA-N 0 3 202.298 0.214 20 0 BCADHN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)CNC1CC1 ZINC000567164875 326127146 /nfs/dbraw/zinc/12/71/46/326127146.db2.gz CGXTUBZZBHSBJQ-GLSBUQGYSA-N 0 3 244.360 0.106 20 0 BCADHN CCCC[C@H](N)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000154396871 326142667 /nfs/dbraw/zinc/14/26/67/326142667.db2.gz WZCKWVKGGRPNCP-MXWKQRLJSA-N 0 3 227.352 0.713 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N[C@H]1C[C@@H](O)C1(C)C ZINC000567246869 326149967 /nfs/dbraw/zinc/14/99/67/326149967.db2.gz XTGJQMXNKJLNIN-GARJFASQSA-N 0 3 242.363 0.991 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCN(C)C1)c1cscn1 ZINC000309526790 326157579 /nfs/dbraw/zinc/15/75/79/326157579.db2.gz CRPMWTYFVSVILR-KOLCDFICSA-N 0 3 241.360 0.860 20 0 BCADHN C[C@H]1CCN(CCNCc2ccn(C)n2)C1 ZINC000309800420 326168524 /nfs/dbraw/zinc/16/85/24/326168524.db2.gz RBNFGZOAXXINIY-NSHDSACASA-N 0 3 222.336 0.852 20 0 BCADHN C[C@@H]1CCCN(CCNc2nnnn2C)C1 ZINC000309830567 326170238 /nfs/dbraw/zinc/17/02/38/326170238.db2.gz YLQOIFJYYKIKIE-SECBINFHSA-N 0 3 224.312 0.354 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC[C@H](C)C(=O)OC ZINC000155401667 326194998 /nfs/dbraw/zinc/19/49/98/326194998.db2.gz AMKRAOIQPLHPLN-VGMNWLOBSA-N 0 3 230.308 0.285 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC[C@@H](O)C(C)C ZINC000155480309 326197143 /nfs/dbraw/zinc/19/71/43/326197143.db2.gz UCIPQUUOKMLACD-MXWKQRLJSA-N 0 3 230.352 0.883 20 0 BCADHN CCn1ncnc1CNC(=O)[C@@H](C)NC1CC1 ZINC000567469495 326197544 /nfs/dbraw/zinc/19/75/44/326197544.db2.gz GEIBCICZKHNAML-MRVPVSSYSA-N 0 3 237.307 0.055 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)CC1CCOCC1 ZINC000156203942 326221744 /nfs/dbraw/zinc/22/17/44/326221744.db2.gz WIICFDGZSMVUBJ-SNVBAGLBSA-N 0 3 228.336 0.822 20 0 BCADHN Cc1nccnc1CCNC[C@@H](O)C(F)(F)F ZINC000567606128 326227453 /nfs/dbraw/zinc/22/74/53/326227453.db2.gz XBRGZMNCFWDIOP-SECBINFHSA-N 0 3 249.236 0.840 20 0 BCADHN CC[C@](C)(O)CNCc1cnc2cnccn12 ZINC000156790952 326242373 /nfs/dbraw/zinc/24/23/73/326242373.db2.gz DCKDLOZDMKEJGU-LBPRGKRZSA-N 0 3 234.303 0.980 20 0 BCADHN CC(C)COC[C@H](O)CN[C@H]1CC[S@@](=O)C1 ZINC000567684137 326244961 /nfs/dbraw/zinc/24/49/61/326244961.db2.gz CFBJFXDLWQQGAM-LYOVBCGYSA-N 0 3 249.376 0.131 20 0 BCADHN C[NH2+]C[C@H](C)C(=O)NCc1ncccc1[O-] ZINC000567822070 326263520 /nfs/dbraw/zinc/26/35/20/326263520.db2.gz WDNIYUJHJCFJAA-QMMMGPOBSA-N 0 3 223.276 0.259 20 0 BCADHN CCN(CC)CC(=O)N[C@]1(C)CCOC1 ZINC000157304672 326267046 /nfs/dbraw/zinc/26/70/46/326267046.db2.gz YSSADILUPDNIKE-LLVKDONJSA-N 0 3 214.309 0.623 20 0 BCADHN CC(=O)c1ccc(C(=O)N(C)CC[NH3+])cc1[O-] ZINC000567845425 326268956 /nfs/dbraw/zinc/26/89/56/326268956.db2.gz YCJBXGLHUWJWLJ-UHFFFAOYSA-N 0 3 236.271 0.626 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1CCCC[C@@H]1O)N(C)C ZINC000157374798 326271645 /nfs/dbraw/zinc/27/16/45/326271645.db2.gz BAQKJYCROSMMKC-WOPDTQHZSA-N 0 3 242.363 0.994 20 0 BCADHN CO[C@H]1C[C@H](N[C@@H]2COC[C@H]2OC)C12CCC2 ZINC000567856976 326271650 /nfs/dbraw/zinc/27/16/50/326271650.db2.gz WBLAFAHAPNUBCS-WYUUTHIRSA-N 0 3 241.331 0.947 20 0 BCADHN CC[C@@H](N)C(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC000567890462 326277146 /nfs/dbraw/zinc/27/71/46/326277146.db2.gz RJWCXJCFQJOFLT-MFKMUULPSA-N 0 3 249.314 0.241 20 0 BCADHN COc1ccc2c(c1)nc(CNC(=O)CN)n2C ZINC000567910350 326282067 /nfs/dbraw/zinc/28/20/67/326282067.db2.gz PNUPPYCPHLYKKR-UHFFFAOYSA-N 0 3 248.286 0.157 20 0 BCADHN CC[C@@H](C)C[C@H](NC(=O)[C@@H]1C[C@@H]1N)C(=O)OC ZINC000567925249 326283725 /nfs/dbraw/zinc/28/37/25/326283725.db2.gz GXCPPWNLBFUKMG-IMSYWVGJSA-N 0 3 242.319 0.428 20 0 BCADHN CCNC(=O)CCN(C)CCNC(=O)C(C)C ZINC000157726636 326292674 /nfs/dbraw/zinc/29/26/74/326292674.db2.gz LOZDJPMUVFVTLU-UHFFFAOYSA-N 0 3 243.351 0.217 20 0 BCADHN Cc1nnc(CSCCN(C)C)n1C ZINC000157741033 326293713 /nfs/dbraw/zinc/29/37/13/326293713.db2.gz DNOXZRVMGKWBDX-UHFFFAOYSA-N 0 3 214.338 0.918 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000568076114 326305005 /nfs/dbraw/zinc/30/50/05/326305005.db2.gz QJGLSVACSLVLNA-YIZRAAEISA-N 0 3 220.276 0.251 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N[C@@H]1CC=CCC1 ZINC000568101469 326307739 /nfs/dbraw/zinc/30/77/39/326307739.db2.gz AFDILULRCRCPRZ-NEPJUHHUSA-N 0 3 238.331 0.980 20 0 BCADHN CCCNC(=O)CN1CC[C@H](O)C12CCCC2 ZINC000568160370 326316427 /nfs/dbraw/zinc/31/64/27/326316427.db2.gz TYISBELTWMKCBY-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN CNC(=O)CCCN1CCCO[C@@H](CF)C1 ZINC000568180917 326321424 /nfs/dbraw/zinc/32/14/24/326321424.db2.gz GCSYMJWVMAHSHP-JTQLQIEISA-N 0 3 232.299 0.573 20 0 BCADHN C[C@H](Cc1c[nH]cn1)C(=O)N(C)CCN(C)C ZINC000568201797 326325441 /nfs/dbraw/zinc/32/54/41/326325441.db2.gz ZRLYBAJZRGJYIU-SNVBAGLBSA-N 0 3 238.335 0.608 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCC[C@@H](O)CC2)C1 ZINC000568213466 326327161 /nfs/dbraw/zinc/32/71/61/326327161.db2.gz AOUMHQLLEHKYTQ-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN CS[C@H]1CC[C@@H]1NC1CN(C(C)=O)C1 ZINC000568253456 326335447 /nfs/dbraw/zinc/33/54/47/326335447.db2.gz PROCQQSSJIIKEH-UWVGGRQHSA-N 0 3 214.334 0.701 20 0 BCADHN CCNC(=O)CCN1CC[C@@](O)(C(F)F)C1 ZINC000568289863 326341588 /nfs/dbraw/zinc/34/15/88/326341588.db2.gz RWRXUXDJIHFIJV-JTQLQIEISA-N 0 3 236.262 0.215 20 0 BCADHN CC[C@H]1CN(C)CCN1C(=O)Cc1ccn[nH]1 ZINC000568314288 326344481 /nfs/dbraw/zinc/34/44/81/326344481.db2.gz UQSAVBSSYIPMFJ-NSHDSACASA-N 0 3 236.319 0.505 20 0 BCADHN CC[C@@H](O)CN(C)[C@H](CO)COC(C)C ZINC000568348478 326347238 /nfs/dbraw/zinc/34/72/38/326347238.db2.gz PKTJXCJHDRHLKL-GHMZBOCLSA-N 0 3 219.325 0.475 20 0 BCADHN O[C@@H](CN[C@@H]1CC[C@@H](O)CC1)C(F)(F)F ZINC000568382743 326351940 /nfs/dbraw/zinc/35/19/40/326351940.db2.gz KAIZLKHHGZUHOC-FXQIFTODSA-N 0 3 227.226 0.803 20 0 BCADHN C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H](O)CC2)C1 ZINC000568528061 326363737 /nfs/dbraw/zinc/36/37/37/326363737.db2.gz JGYJDVCSWLBTCM-IJLUTSLNSA-N 0 3 240.347 0.748 20 0 BCADHN CC1(CN2CCC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000568582730 326365967 /nfs/dbraw/zinc/36/59/67/326365967.db2.gz SCUDUPSNHRWEGW-SNVBAGLBSA-N 0 3 246.376 0.787 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCC1(O)CCCC1 ZINC000568601558 326367022 /nfs/dbraw/zinc/36/70/22/326367022.db2.gz BCTWSZZKTJDDHF-VHSXEESVSA-N 0 3 215.293 0.295 20 0 BCADHN Cn1nncc1CN[C@H](CO)CC1CCCC1 ZINC000568652095 326371458 /nfs/dbraw/zinc/37/14/58/326371458.db2.gz KBFAQTSYJVTUHT-NSHDSACASA-N 0 3 238.335 0.846 20 0 BCADHN CCSCCN1CC[C@@H](CO)[C@H](O)C1 ZINC000568676191 326372125 /nfs/dbraw/zinc/37/21/25/326372125.db2.gz AIUHUHYYXYFSPJ-VHSXEESVSA-N 0 3 219.350 0.415 20 0 BCADHN CCO[C@H]1C[C@@H](NCc2cnnn2CC)C1 ZINC000568737926 326374086 /nfs/dbraw/zinc/37/40/86/326374086.db2.gz XHUYUFZSBCUZHG-JGZJWPJOSA-N 0 3 224.308 0.955 20 0 BCADHN OC[C@@H](CNC[C@@H](O)C(F)(F)F)C1CC1 ZINC000568762185 326375876 /nfs/dbraw/zinc/37/58/76/326375876.db2.gz ZVTFIGGNLRYZLO-HTQZYQBOSA-N 0 3 227.226 0.518 20 0 BCADHN CC(C)N(C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000568766487 326376535 /nfs/dbraw/zinc/37/65/35/326376535.db2.gz AKPVECRENKIBHP-JTQLQIEISA-N 0 3 228.340 0.021 20 0 BCADHN C[C@H]1CCN(CC(=O)NCc2ccc[nH]2)C1 ZINC000568778332 326377165 /nfs/dbraw/zinc/37/71/65/326377165.db2.gz OOISKXGMWBXMPW-JTQLQIEISA-N 0 3 221.304 0.973 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cn2ccc(C)cc2n1 ZINC000568877425 326380773 /nfs/dbraw/zinc/38/07/73/326380773.db2.gz FHXPIVATOLJGKE-LLVKDONJSA-N 0 3 246.314 0.996 20 0 BCADHN NCC(=O)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000568988536 326383220 /nfs/dbraw/zinc/38/32/20/326383220.db2.gz WDEKFGYFIXHQBT-VHSXEESVSA-N 0 3 212.293 0.363 20 0 BCADHN CO[C@H](CN)C(=O)NCc1noc2ccccc12 ZINC000569019695 326387401 /nfs/dbraw/zinc/38/74/01/326387401.db2.gz NJVGKBFSXWEESQ-LLVKDONJSA-N 0 3 249.270 0.418 20 0 BCADHN O=C(COC1CNC1)Nc1cccc2c1CCN2 ZINC000569117916 326391546 /nfs/dbraw/zinc/39/15/46/326391546.db2.gz VIOVHAMGAGXBNG-UHFFFAOYSA-N 0 3 247.298 0.582 20 0 BCADHN Cc1nc(CN2CCN(c3ncc[nH]3)CC2)n[nH]1 ZINC000569256294 326398027 /nfs/dbraw/zinc/39/80/27/326398027.db2.gz MNTOFFDINWVEMG-UHFFFAOYSA-N 0 3 247.306 0.158 20 0 BCADHN Cc1ncc(CNC[C@@H](CO)C2CC2)n1C ZINC000569260772 326398496 /nfs/dbraw/zinc/39/84/96/326398496.db2.gz VPDLQXPSDYLSAN-NSHDSACASA-N 0 3 223.320 0.837 20 0 BCADHN CC(C)(C)c1ccc(CNC(=O)CN)c(=O)[nH]1 ZINC000083956666 487972062 /nfs/dbraw/zinc/97/20/62/487972062.db2.gz AHZVATBSFJTIAH-UHFFFAOYSA-N 0 3 237.303 0.247 20 0 BCADHN NCC(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000572764716 326409493 /nfs/dbraw/zinc/40/94/93/326409493.db2.gz IEEFJJOZUBIPFT-SNVBAGLBSA-N 0 3 212.293 0.220 20 0 BCADHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1cscn1 ZINC000573089211 326429009 /nfs/dbraw/zinc/42/90/09/326429009.db2.gz AQGKTAZOVRFYDB-WDSKDSINSA-N 0 3 235.334 0.157 20 0 BCADHN COCC[C@H](C)N1C[C@H](CO)OC(C)(C)C1 ZINC000158739108 487973667 /nfs/dbraw/zinc/97/36/67/487973667.db2.gz OTTVCHQEOSMIFC-WDEREUQCSA-N 0 3 231.336 0.883 20 0 BCADHN CC(C)NCc1ccc(S(N)(=O)=O)o1 ZINC000083967802 487975602 /nfs/dbraw/zinc/97/56/02/487975602.db2.gz AERKTHXDTNVCSS-UHFFFAOYSA-N 0 3 218.278 0.425 20 0 BCADHN CCN1CCC[C@H]1CNCc1ncnn1C ZINC000083970435 487976931 /nfs/dbraw/zinc/97/69/31/487976931.db2.gz WNWJVEIBHHIYPS-JTQLQIEISA-N 0 3 223.324 0.389 20 0 BCADHN CCn1nccc1CN[C@H](C)Cn1cncn1 ZINC000677127735 487977100 /nfs/dbraw/zinc/97/71/00/487977100.db2.gz PZEQYXWGJMYUPQ-SNVBAGLBSA-N 0 3 234.307 0.673 20 0 BCADHN CCN(C(=O)[C@H](N)C1CCC1)c1cnn(C)c1 ZINC000655522608 487978371 /nfs/dbraw/zinc/97/83/71/487978371.db2.gz YGSXGPIKZGJUSM-LLVKDONJSA-N 0 3 236.319 0.900 20 0 BCADHN CCN(C(=O)C1(N)CC1)c1cnn(C)c1 ZINC000655522744 487982269 /nfs/dbraw/zinc/98/22/69/487982269.db2.gz ZCWLUUNORFGWMN-UHFFFAOYSA-N 0 3 208.265 0.264 20 0 BCADHN C[C@@H](C(=O)N[C@H](CO)CN(C)C)C1CC1 ZINC000673522453 487985639 /nfs/dbraw/zinc/98/56/39/487985639.db2.gz QGRNGXHPVMZNKR-SCZZXKLOSA-N 0 3 214.309 0.071 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)NCCCCO)C1 ZINC000235587725 487986084 /nfs/dbraw/zinc/98/60/84/487986084.db2.gz BBWLHKRVVXTTKS-VHSXEESVSA-N 0 3 214.309 0.263 20 0 BCADHN CC1(NC(=O)CNC2CC2)CCOCC1 ZINC000229901875 487988092 /nfs/dbraw/zinc/98/80/92/487988092.db2.gz UJXKVYHAOJDDPF-UHFFFAOYSA-N 0 3 212.293 0.424 20 0 BCADHN C[C@H](O)CN(CC(N)=O)C1CCCC1 ZINC000684999892 487987707 /nfs/dbraw/zinc/98/77/07/487987707.db2.gz ADNONTOLMCVJFG-QMMMGPOBSA-N 0 3 200.282 0.097 20 0 BCADHN O=C(CN1CCNCC1)N[C@H]1CC=CCC1 ZINC000084067381 487991922 /nfs/dbraw/zinc/99/19/22/487991922.db2.gz IGPJVTMAARXHIZ-NSHDSACASA-N 0 3 223.320 0.117 20 0 BCADHN CC[C@@H](C(N)=O)N(C)CC(C)(C)CO ZINC000451247132 487992146 /nfs/dbraw/zinc/99/21/46/487992146.db2.gz LWULOHOZMNQQIU-QMMMGPOBSA-N 0 3 202.298 0.201 20 0 BCADHN CCN1CCN(CCC(=O)NC(C)C)C[C@H]1C ZINC000677191064 487995041 /nfs/dbraw/zinc/99/50/41/487995041.db2.gz CPMFFULYOMRTLO-GFCCVEGCSA-N 0 3 241.379 0.927 20 0 BCADHN CCN1CCN(CCCNC(C)=O)C[C@@H]1C ZINC000677191238 487995177 /nfs/dbraw/zinc/99/51/77/487995177.db2.gz DHWBOGUMYDICQQ-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN CCN1CCN(CCn2ccccc2=O)C[C@@H]1C ZINC000677193774 487998137 /nfs/dbraw/zinc/99/81/37/487998137.db2.gz COQNPIXWUFKTNB-ZDUSSCGKSA-N 0 3 249.358 0.874 20 0 BCADHN CC[C@@H](N)c1cn(CC(=O)NC(C)C)nn1 ZINC000229935182 488000344 /nfs/dbraw/zinc/00/03/44/488000344.db2.gz DKGBQZZLOPQDQX-MRVPVSSYSA-N 0 3 225.296 0.213 20 0 BCADHN CCOc1cc(N2CCN[C@@H](C)C2)nc(C)n1 ZINC000090787785 488000654 /nfs/dbraw/zinc/00/06/54/488000654.db2.gz LTNVUIYAJNFFNS-VIFPVBQESA-N 0 3 236.319 0.982 20 0 BCADHN CCN1CCN(CCC(=O)NC)C[C@@H]1C ZINC000677196639 488000830 /nfs/dbraw/zinc/00/08/30/488000830.db2.gz USUCHYBBKBMPHJ-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN CCN1CCN(CCc2cnn(C)c2)C[C@H]1C ZINC000677196513 488001262 /nfs/dbraw/zinc/00/12/62/488001262.db2.gz SNEOEZXWCKBDLW-GFCCVEGCSA-N 0 3 236.363 0.989 20 0 BCADHN O[C@@]1(CNCc2n[nH]c3ccccc32)CCOC1 ZINC000677247237 488005764 /nfs/dbraw/zinc/00/57/64/488005764.db2.gz OVQYYTSZWNXMRM-CYBMUJFWSA-N 0 3 247.298 0.804 20 0 BCADHN O[C@@]1(CNCc2[nH]nc3ccccc32)CCOC1 ZINC000677247237 488005769 /nfs/dbraw/zinc/00/57/69/488005769.db2.gz OVQYYTSZWNXMRM-CYBMUJFWSA-N 0 3 247.298 0.804 20 0 BCADHN CCC[C@H](N)c1cn(C[C@H](O)COC)nn1 ZINC000229954100 488010279 /nfs/dbraw/zinc/01/02/79/488010279.db2.gz CYVHGFPLTACBRB-IUCAKERBSA-N 0 3 228.296 0.085 20 0 BCADHN CCC[C@@H](N)c1cn(CCCCO)nn1 ZINC000229958204 488010031 /nfs/dbraw/zinc/01/00/31/488010031.db2.gz GGKGGPAKTJCHNC-SECBINFHSA-N 0 3 212.297 0.851 20 0 BCADHN C[C@@H](CO)C1CCN(C(=O)C2(N)CCC2)CC1 ZINC000653252798 488012514 /nfs/dbraw/zinc/01/25/14/488012514.db2.gz XLUZZARMIOFDBY-JTQLQIEISA-N 0 3 240.347 0.735 20 0 BCADHN CCN1OC[C@H](N2C[C@H]3CCC[C@@H]3C2)C1=O ZINC000682677864 488012982 /nfs/dbraw/zinc/01/29/82/488012982.db2.gz GEQXTRGMODCFEZ-MXWKQRLJSA-N 0 3 224.304 0.881 20 0 BCADHN Cc1ncc(CN2CCCN(C)CC2)n1C ZINC000667462651 488014384 /nfs/dbraw/zinc/01/43/84/488014384.db2.gz PRXSKBOJUKXNFW-UHFFFAOYSA-N 0 3 222.336 0.866 20 0 BCADHN NC(=O)[C@@H]1CCCN(Cc2cnc3n2CCC3)C1 ZINC000667462934 488014924 /nfs/dbraw/zinc/01/49/24/488014924.db2.gz ZPNRPKHKVKKEKW-SNVBAGLBSA-N 0 3 248.330 0.527 20 0 BCADHN CCC[C@H](N)c1cn(C[C@@H](O)CC)nn1 ZINC000229967596 488015303 /nfs/dbraw/zinc/01/53/03/488015303.db2.gz ZDGRIXOKVNJGNV-IUCAKERBSA-N 0 3 212.297 0.849 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2ccn(C)n2)nn1 ZINC000229964152 488015896 /nfs/dbraw/zinc/01/58/96/488015896.db2.gz WWQFURIMGIINGV-SNVBAGLBSA-N 0 3 234.307 0.860 20 0 BCADHN CCC[C@@H](N)c1cn([C@H]2CCN(C)C2=O)nn1 ZINC000229963707 488015447 /nfs/dbraw/zinc/01/54/47/488015447.db2.gz CNOYMAINHNRZBC-SCZZXKLOSA-N 0 3 237.307 0.481 20 0 BCADHN C[C@H]1C[C@H](NC(=O)N[C@@H]2CCOC2)CCN1C ZINC000159339068 488021966 /nfs/dbraw/zinc/02/19/66/488021966.db2.gz LKSKLBPFVJWXJZ-HBNTYKKESA-N 0 3 241.335 0.557 20 0 BCADHN CC(C)NCC(=O)N1CCc2n[nH]cc2C1 ZINC000396812262 488022721 /nfs/dbraw/zinc/02/27/21/488022721.db2.gz QFLCYYIKLKVNQS-UHFFFAOYSA-N 0 3 222.292 0.292 20 0 BCADHN CCC[C@H](N)c1cn([C@H](C)C(N)=O)nn1 ZINC000229971931 488027884 /nfs/dbraw/zinc/02/78/84/488027884.db2.gz RJNNRHNURWMSBV-RQJHMYQMSA-N 0 3 211.269 0.124 20 0 BCADHN O=C1CC[C@@H](CNCc2ccc3c(n2)CCC3)N1 ZINC000668628841 488029035 /nfs/dbraw/zinc/02/90/35/488029035.db2.gz GUYGQIWJSKFXGA-LBPRGKRZSA-N 0 3 245.326 0.939 20 0 BCADHN C[C@@H](CNC(=O)c1ccnnc1)N1CCCC1 ZINC000677399187 488029917 /nfs/dbraw/zinc/02/99/17/488029917.db2.gz UMZUOQGOSHCAIE-JTQLQIEISA-N 0 3 234.303 0.691 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644841349 488030060 /nfs/dbraw/zinc/03/00/60/488030060.db2.gz PCDZPUKIOSJFAS-YPMHNXCESA-N 0 3 234.347 0.864 20 0 BCADHN CC[C@H](NC(=O)CNC)[C@@H]1CCCCO1 ZINC000655525158 488031038 /nfs/dbraw/zinc/03/10/38/488031038.db2.gz GNTPFMDOOATXGQ-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN O=C1CC[C@@H](CN2CCC[C@@H](CCO)C2)N1 ZINC000227565593 488032210 /nfs/dbraw/zinc/03/22/10/488032210.db2.gz SKFNCOBIRZCOIL-QWRGUYRKSA-N 0 3 226.320 0.359 20 0 BCADHN Cc1ccc([O-])c(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000036286593 488034728 /nfs/dbraw/zinc/03/47/28/488034728.db2.gz NASMJOYFZZKTHM-VIFPVBQESA-N 0 3 220.272 0.792 20 0 BCADHN O[C@H]1CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000667510216 488035275 /nfs/dbraw/zinc/03/52/75/488035275.db2.gz BQECNEBGFKKXEO-ZDUSSCGKSA-N 0 3 244.298 0.834 20 0 BCADHN Cc1noc(CN(C)C(=O)[C@@H](N)CC(C)C)n1 ZINC000655527641 488036298 /nfs/dbraw/zinc/03/62/98/488036298.db2.gz YDSSOHWRMVPNFP-VIFPVBQESA-N 0 3 240.307 0.710 20 0 BCADHN Cc1ccc(CNC(=O)C[C@H]2CNCCO2)o1 ZINC000091311666 488042046 /nfs/dbraw/zinc/04/20/46/488042046.db2.gz JLJHMCKOYVGTNT-NSHDSACASA-N 0 3 238.287 0.583 20 0 BCADHN OC[C@@H]1CCCN1Cc1cnn2c1CCC2 ZINC000667552858 488042913 /nfs/dbraw/zinc/04/29/13/488042913.db2.gz WVEWVRYDKQNSKU-NSHDSACASA-N 0 3 221.304 0.786 20 0 BCADHN Cc1cc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)no1 ZINC000623072582 488042993 /nfs/dbraw/zinc/04/29/93/488042993.db2.gz HXHXAPZQYNOVOK-HTQZYQBOSA-N 0 3 242.254 0.886 20 0 BCADHN C[C@H]1CCC[C@H]1NC(=O)COC1(C)CNC1 ZINC000165841776 488045207 /nfs/dbraw/zinc/04/52/07/488045207.db2.gz RUIWOQVOUFAULS-VHSXEESVSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@H](C1CC1)N(C)C(=O)COC1(C)CNC1 ZINC000165832268 488045334 /nfs/dbraw/zinc/04/53/34/488045334.db2.gz ZDAONLZYENMGJL-SECBINFHSA-N 0 3 226.320 0.622 20 0 BCADHN CC1(OCC(=O)NCc2ccco2)CNC1 ZINC000165853772 488046391 /nfs/dbraw/zinc/04/63/91/488046391.db2.gz NJJFSZHGGVNHJO-UHFFFAOYSA-N 0 3 224.260 0.274 20 0 BCADHN CCC1(NC(=O)COC2(C)CNC2)CCC1 ZINC000165847317 488046766 /nfs/dbraw/zinc/04/67/66/488046766.db2.gz DASVSOGXTVGKCV-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN COC[C@H](O)CNCc1cccc(OC)c1F ZINC000165857346 488046872 /nfs/dbraw/zinc/04/68/72/488046872.db2.gz YBWBHVBWFUSCMV-SNVBAGLBSA-N 0 3 243.278 0.931 20 0 BCADHN CC1(OCC(=O)NCCCC2CC2)CNC1 ZINC000165849989 488046705 /nfs/dbraw/zinc/04/67/05/488046705.db2.gz OUDSHQHQYIPNBE-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN C[C@H]1CN(C(=O)COC2(C)CNC2)C[C@@H]1C ZINC000165848474 488047189 /nfs/dbraw/zinc/04/71/89/488047189.db2.gz VJMGDLIOTDRVEU-UWVGGRQHSA-N 0 3 226.320 0.479 20 0 BCADHN CO[C@]1(CO)CCCN(C[C@H]2CCCO2)C1 ZINC000401707409 488050002 /nfs/dbraw/zinc/05/00/02/488050002.db2.gz FOXXRPYGHOHRCO-VXGBXAGGSA-N 0 3 229.320 0.639 20 0 BCADHN NC[C@@H](NC(=O)c1cnccn1)C(F)(F)F ZINC000401708894 488050067 /nfs/dbraw/zinc/05/00/67/488050067.db2.gz GTAUTTPDZGXJTD-ZCFIWIBFSA-N 0 3 234.181 0.096 20 0 BCADHN OC[C@@H]1CCN(Cc2cnc3n2CCC3)C1 ZINC000667569745 488050436 /nfs/dbraw/zinc/05/04/36/488050436.db2.gz RODMRNSINSQNHY-SNVBAGLBSA-N 0 3 221.304 0.644 20 0 BCADHN CCN1CCN(CCNc2ncc(C)cn2)CC1 ZINC000677505046 488051274 /nfs/dbraw/zinc/05/12/74/488051274.db2.gz MTOFGQLVHRGVSJ-UHFFFAOYSA-N 0 3 249.362 0.834 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1C ZINC000669183370 488052030 /nfs/dbraw/zinc/05/20/30/488052030.db2.gz PQGJWTDYXJCCPR-LVEVGFFFSA-N 0 3 238.331 0.478 20 0 BCADHN CO[C@H](C)C(=O)N[C@H](CN)C(F)(F)F ZINC000401729876 488057452 /nfs/dbraw/zinc/05/74/52/488057452.db2.gz NXMRGKPXPAFZFP-RFZPGFLSSA-N 0 3 214.187 0.027 20 0 BCADHN CO[C@@H](C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000401729882 488057476 /nfs/dbraw/zinc/05/74/76/488057476.db2.gz NXMRGKPXPAFZFP-WHFBIAKZSA-N 0 3 214.187 0.027 20 0 BCADHN NC[C@@H](NC(=O)[C@H]1CCCS1)C(F)(F)F ZINC000401728715 488058096 /nfs/dbraw/zinc/05/80/96/488058096.db2.gz NHQGCIMRWSNIPX-PHDIDXHHSA-N 0 3 242.266 0.888 20 0 BCADHN NC[C@@H](NC(=O)[C@@H]1CCCS1)C(F)(F)F ZINC000401728712 488058125 /nfs/dbraw/zinc/05/81/25/488058125.db2.gz NHQGCIMRWSNIPX-NTSWFWBYSA-N 0 3 242.266 0.888 20 0 BCADHN CCCOCC(=O)N[C@@H](CN)C(F)(F)F ZINC000401743374 488061023 /nfs/dbraw/zinc/06/10/23/488061023.db2.gz SRUIPVPIWVHRNJ-LURJTMIESA-N 0 3 228.214 0.419 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N[C@@H](CN)C(F)(F)F ZINC000401748494 488062036 /nfs/dbraw/zinc/06/20/36/488062036.db2.gz WJUHPKXLUNSSRJ-SRQIZXRXSA-N 0 3 210.199 0.648 20 0 BCADHN CC(C(=O)NC1(C2CCC2)CC1)S(C)(=O)=O ZINC000650666529 488063241 /nfs/dbraw/zinc/06/32/41/488063241.db2.gz XWIWANHZYWBCQM-QMMMGPOBSA-N 0 3 245.344 0.868 20 0 BCADHN C[C@@H](C[C@@H]1CCOC1)NC(=O)C(C)(C)N ZINC000309424460 488064512 /nfs/dbraw/zinc/06/45/12/488064512.db2.gz KDBPWKQFWSATDJ-IUCAKERBSA-N 0 3 214.309 0.655 20 0 BCADHN O=C(NCCCCO)c1ccc2c(c1)CNC2 ZINC000236495529 488065361 /nfs/dbraw/zinc/06/53/61/488065361.db2.gz PNBDXIBJMGJVOQ-UHFFFAOYSA-N 0 3 234.299 0.792 20 0 BCADHN C[C@H](CNC(=O)c1cnco1)N(C)C1CC1 ZINC000677535238 488067303 /nfs/dbraw/zinc/06/73/03/488067303.db2.gz CUZUMPMMKFOBSW-MRVPVSSYSA-N 0 3 223.276 0.887 20 0 BCADHN Cc1cnc(C(=O)N[C@H](CN)C(F)(F)F)cn1 ZINC000401795925 488067777 /nfs/dbraw/zinc/06/77/77/488067777.db2.gz JHFBAZUVTYRJBO-SSDOTTSWSA-N 0 3 248.208 0.404 20 0 BCADHN CN(CCc1ccnn1C)C[C@H](O)C1CC1 ZINC000670080924 488067456 /nfs/dbraw/zinc/06/74/56/488067456.db2.gz CQJSZJFETTTXIJ-LBPRGKRZSA-N 0 3 223.320 0.665 20 0 BCADHN COCCN1CCC[C@@](CO)(OC)C1 ZINC000401786997 488068084 /nfs/dbraw/zinc/06/80/84/488068084.db2.gz UMWSQBZMQYCMOA-SNVBAGLBSA-N 0 3 203.282 0.106 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1cnco1 ZINC000677538725 488067865 /nfs/dbraw/zinc/06/78/65/488067865.db2.gz MHFZBWKNPHRXJV-UHFFFAOYSA-N 0 3 223.276 0.842 20 0 BCADHN NC[C@H](NC(=O)N1CCCC1)C(F)(F)F ZINC000401862854 488071229 /nfs/dbraw/zinc/07/12/29/488071229.db2.gz YLWJJOKMRLMRAB-LURJTMIESA-N 0 3 225.214 0.681 20 0 BCADHN NC[C@H](NC(=O)NC1CC1)C(F)(F)F ZINC000401860480 488071354 /nfs/dbraw/zinc/07/13/54/488071354.db2.gz XLXUFHMKPJWMRA-YFKPBYRVSA-N 0 3 211.187 0.338 20 0 BCADHN CC[C@H](CN1CCC(O)(CO)CC1)OC ZINC000397013606 488071815 /nfs/dbraw/zinc/07/18/15/488071815.db2.gz FTWCDODDQCFSRL-SNVBAGLBSA-N 0 3 217.309 0.231 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@]2(CCOC2)C1 ZINC000153912896 488072555 /nfs/dbraw/zinc/07/25/55/488072555.db2.gz DBIAMXLMXIYPJU-GFCCVEGCSA-N 0 3 226.320 0.623 20 0 BCADHN CCN1CCN(CCc2ccnn2C)C[C@H]1C ZINC000670084543 488072804 /nfs/dbraw/zinc/07/28/04/488072804.db2.gz JMIQOCKECPESAO-GFCCVEGCSA-N 0 3 236.363 0.989 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cnco2)CCN1C ZINC000677557164 488072909 /nfs/dbraw/zinc/07/29/09/488072909.db2.gz NPNALLGRNUKWKN-DTWKUNHWSA-N 0 3 223.276 0.887 20 0 BCADHN Cn1cc(CN2CC[C@@H](Cn3ccnn3)C2)cn1 ZINC000661142161 488075178 /nfs/dbraw/zinc/07/51/78/488075178.db2.gz SNUMTCAMUVMQKW-LLVKDONJSA-N 0 3 246.318 0.534 20 0 BCADHN C[C@@H](O)C1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000225792836 488080319 /nfs/dbraw/zinc/08/03/19/488080319.db2.gz RXNSIYNPCJVRJN-KOLCDFICSA-N 0 3 226.320 0.358 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000236703855 488081738 /nfs/dbraw/zinc/08/17/38/488081738.db2.gz RPTQQJQUIQJPCU-DGCLKSJQSA-N 0 3 240.347 0.999 20 0 BCADHN O=C(CCCCO)N[C@@H]1CCN(C2CC2)C1 ZINC000092174968 488085829 /nfs/dbraw/zinc/08/58/29/488085829.db2.gz VTFKJGHRGKXCIS-SNVBAGLBSA-N 0 3 226.320 0.502 20 0 BCADHN C[C@]1(O)CCN(Cc2cnn3c2CCC3)C1 ZINC000667688592 488087543 /nfs/dbraw/zinc/08/75/43/488087543.db2.gz XUAFFAVXASNKJF-LBPRGKRZSA-N 0 3 221.304 0.786 20 0 BCADHN CNC(=O)[C@H](C)CN(C)Cc1cnc(C)n1C ZINC000667692888 488088967 /nfs/dbraw/zinc/08/89/67/488088967.db2.gz TUGUCAGHUIIEPW-SECBINFHSA-N 0 3 238.335 0.542 20 0 BCADHN CCn1ccc(NC(=O)NC[C@H](C)N(C)C)n1 ZINC000667692652 488088915 /nfs/dbraw/zinc/08/89/15/488088915.db2.gz NNBQXWWKQVAVLF-VIFPVBQESA-N 0 3 239.323 0.975 20 0 BCADHN CCN1CC[C@@H](N[C@H](C)COC)C1=O ZINC000389336658 488089351 /nfs/dbraw/zinc/08/93/51/488089351.db2.gz WTTDUIYUUKBJIK-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN O=S1(=O)CC[C@@H](CCN(CCO)C2CC2)C1 ZINC000677677121 488090813 /nfs/dbraw/zinc/09/08/13/488090813.db2.gz XKTJWVSBRWWPIZ-SNVBAGLBSA-N 0 3 247.360 0.268 20 0 BCADHN CCN(C[C@@H]1CNCCO1)[C@H]1CCCOC1 ZINC000402584701 488094787 /nfs/dbraw/zinc/09/47/87/488094787.db2.gz HDIAHSLFMQMDKU-RYUDHWBXSA-N 0 3 228.336 0.476 20 0 BCADHN CCN(C[C@H]1CCOC1)C(=O)CNCCOC ZINC000092496077 488096792 /nfs/dbraw/zinc/09/67/92/488096792.db2.gz KGULTXYBRNYIHP-LLVKDONJSA-N 0 3 244.335 0.107 20 0 BCADHN C[C@H]1CC(=O)NCCN1C[C@@H]1CCCOC1 ZINC000677714551 488098027 /nfs/dbraw/zinc/09/80/27/488098027.db2.gz DIGMORUOKLUBTL-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@@H](N[C@@H]1CCCC[C@H]1OC)C(N)=O ZINC000378666826 488098819 /nfs/dbraw/zinc/09/88/19/488098819.db2.gz GXUKNEJVQGWIAY-OPRDCNLKSA-N 0 3 214.309 0.798 20 0 BCADHN COc1cc(NC(=O)C2(N)CC2)ccn1 ZINC000389599791 488101984 /nfs/dbraw/zinc/10/19/84/488101984.db2.gz STTHWUQONUDSJC-UHFFFAOYSA-N 0 3 207.233 0.520 20 0 BCADHN CC[C@]1(NCC(=O)Nc2ccon2)CCOC1 ZINC000683044335 488104213 /nfs/dbraw/zinc/10/42/13/488104213.db2.gz SVIYSFUNLGJXMC-NSHDSACASA-N 0 3 239.275 0.772 20 0 BCADHN CCCCNC(=O)Cn1cc([C@H](N)CC)nn1 ZINC000229935122 488104328 /nfs/dbraw/zinc/10/43/28/488104328.db2.gz UVJUMBYLGRLRCE-SECBINFHSA-N 0 3 239.323 0.604 20 0 BCADHN CCCN1CC[C@@H](NC(=O)[C@H]2CSCN2)C1 ZINC000389692044 488105864 /nfs/dbraw/zinc/10/58/64/488105864.db2.gz FLINPTVPIPWDCG-NXEZZACHSA-N 0 3 243.376 0.249 20 0 BCADHN C[C@@H]1C[C@H]1CN(C)CCN1CCCS1(=O)=O ZINC000683109736 488107329 /nfs/dbraw/zinc/10/73/29/488107329.db2.gz MWRONVDZYJTBTJ-MNOVXSKESA-N 0 3 246.376 0.610 20 0 BCADHN FC(F)[C@H]1CCN(CCn2cncn2)C1 ZINC000677730552 488108600 /nfs/dbraw/zinc/10/86/00/488108600.db2.gz LEARRKDKORHKQH-QMMMGPOBSA-N 0 3 216.235 0.865 20 0 BCADHN O=C(COC1CNC1)N[C@@H]1CC=CCC1 ZINC000570458856 487536811 /nfs/dbraw/zinc/53/68/11/487536811.db2.gz KLFYFIPXGUWLEA-SECBINFHSA-N 0 3 210.277 0.200 20 0 BCADHN NC(=O)C[C@H]1CCN(Cc2cncs2)C1 ZINC000685475170 487537113 /nfs/dbraw/zinc/53/71/13/487537113.db2.gz ZTKVZGLRTLNQNV-MRVPVSSYSA-N 0 3 225.317 0.840 20 0 BCADHN OCC1(CN2CC[C@@H](C(F)F)C2)COC1 ZINC000677734426 488112264 /nfs/dbraw/zinc/11/22/64/488112264.db2.gz XFYVXWSOOLFORW-MRVPVSSYSA-N 0 3 221.247 0.582 20 0 BCADHN CCn1nncc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000662029931 488113492 /nfs/dbraw/zinc/11/34/92/488113492.db2.gz JYPAHWVWCAPPCF-MNOVXSKESA-N 0 3 236.319 0.766 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCC(NS(C)(=O)=O)CC1 ZINC000683111883 488114382 /nfs/dbraw/zinc/11/43/82/488114382.db2.gz VTEZOGTXWNGPTI-NXEZZACHSA-N 0 3 246.376 0.656 20 0 BCADHN C[C@@H](CNCc1cnn2c1CCC2)N(C)C ZINC000657348562 488115461 /nfs/dbraw/zinc/11/54/61/488115461.db2.gz ZSNUPULNSOIEBZ-JTQLQIEISA-N 0 3 222.336 0.869 20 0 BCADHN C[C@H](CO)CN1CC[C@H](OC(F)F)C1 ZINC000670108376 488116454 /nfs/dbraw/zinc/11/64/54/488116454.db2.gz AYYTUGMZOGNNQY-YUMQZZPRSA-N 0 3 209.236 0.928 20 0 BCADHN CCS(=O)(=O)C1(CNC2CSC2)CC1 ZINC000668695078 488123946 /nfs/dbraw/zinc/12/39/46/488123946.db2.gz LWRVKJXPWKQFQS-UHFFFAOYSA-N 0 3 235.374 0.659 20 0 BCADHN C[C@H](O)C1(NCc2cnc(N(C)C)nc2)CC1 ZINC000668697839 488126819 /nfs/dbraw/zinc/12/68/19/488126819.db2.gz MZEGATLELASNQH-VIFPVBQESA-N 0 3 236.319 0.546 20 0 BCADHN COCCn1cc(CNC2([C@H](C)O)CC2)cn1 ZINC000668697126 488127617 /nfs/dbraw/zinc/12/76/17/488127617.db2.gz AXTYXYIPIMICJR-JTQLQIEISA-N 0 3 239.319 0.533 20 0 BCADHN CCC(CC)[C@@H](O)CNC(=O)CNC(C)C ZINC000230631073 488130986 /nfs/dbraw/zinc/13/09/86/488130986.db2.gz GZCCGSMLWZGQBE-NSHDSACASA-N 0 3 230.352 0.898 20 0 BCADHN CN1C[C@H](N[C@H]2CO[C@@H](C3CC3)C2)CC1=O ZINC000667826180 488131903 /nfs/dbraw/zinc/13/19/03/488131903.db2.gz UPQZPYIKFPHLAU-GMTAPVOTSA-N 0 3 224.304 0.374 20 0 BCADHN CC(C(=O)N1COCC1(C)C)S(C)(=O)=O ZINC000670389631 488132654 /nfs/dbraw/zinc/13/26/54/488132654.db2.gz FQGSIFZDQHZSLY-ZETCQYMHSA-N 0 3 235.305 0.014 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N(C)CCn1cccn1 ZINC000168801853 487542081 /nfs/dbraw/zinc/54/20/81/487542081.db2.gz YSLOHNKBGHHUOG-LLVKDONJSA-N 0 3 238.335 0.715 20 0 BCADHN NC(=O)C[C@@H]1CCCCN1Cc1cncnc1 ZINC000120640517 490077899 /nfs/dbraw/zinc/07/78/99/490077899.db2.gz XIGMVRYVMYEZBK-NSHDSACASA-N 0 3 234.303 0.707 20 0 BCADHN CNC(=O)CCCN[C@@H]1CCCn2ccnc21 ZINC000655701562 487543383 /nfs/dbraw/zinc/54/33/83/487543383.db2.gz HEQWDBQWDXDWHM-SNVBAGLBSA-N 0 3 236.319 0.834 20 0 BCADHN C[C@@H](CO)CN(CC(N)=O)C(C)(C)C ZINC000121270620 490079442 /nfs/dbraw/zinc/07/94/42/490079442.db2.gz XNKWMFMJTCCGGU-MRVPVSSYSA-N 0 3 202.298 0.201 20 0 BCADHN C[C@@H](C(=O)N[C@H]1CCN(C)[C@H](C)C1)N(C)C ZINC000674288565 487544298 /nfs/dbraw/zinc/54/42/98/487544298.db2.gz GHEKWEWLIBUUKE-VWYCJHECSA-N 0 3 227.352 0.535 20 0 BCADHN CC(=O)N[C@H]1CCCN([C@@H]2CCCOC2)C1 ZINC000674286015 487545708 /nfs/dbraw/zinc/54/57/08/487545708.db2.gz CBQAVCZIFGNLGI-NWDGAFQWSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)N(C)CC(=O)NCC(C)(C)CO ZINC000119466599 487551098 /nfs/dbraw/zinc/55/10/98/487551098.db2.gz HEPIOYFBAQOVPA-UHFFFAOYSA-N 0 3 216.325 0.461 20 0 BCADHN CC[C@H](O)CN1CCN([C@@H]2CCCOC2)CC1 ZINC000674302003 487551728 /nfs/dbraw/zinc/55/17/28/487551728.db2.gz IOWPZCSPHUXKIA-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN CC[C@H](O)CN1CCN([C@H]2CCCOC2)CC1 ZINC000674302006 487551981 /nfs/dbraw/zinc/55/19/81/487551981.db2.gz IOWPZCSPHUXKIA-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN NC(=O)CC1CCN([C@H]2CCCOC2)CC1 ZINC000674301485 487552641 /nfs/dbraw/zinc/55/26/41/487552641.db2.gz SFLJFSDEWTXYPC-NSHDSACASA-N 0 3 226.320 0.753 20 0 BCADHN CN(C)Cc1ccc(C(=O)NC2COC2)cc1 ZINC000094710686 487552979 /nfs/dbraw/zinc/55/29/79/487552979.db2.gz SONOCEVLTGZFFM-UHFFFAOYSA-N 0 3 234.299 0.877 20 0 BCADHN Cc1n[nH]cc1CN(C)C[C@H](O)C1CC1 ZINC000685461865 487530818 /nfs/dbraw/zinc/53/08/18/487530818.db2.gz WTFGXKHUZRMWLJ-NSHDSACASA-N 0 3 209.293 0.921 20 0 BCADHN CCS(=O)(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000144860998 487531019 /nfs/dbraw/zinc/53/10/19/487531019.db2.gz SJRRKZYHBBTBMX-SECBINFHSA-N 0 3 234.365 0.799 20 0 BCADHN CC[C@@H]1CN(C[C@H]2CNCCO2)[C@H](C)CO1 ZINC000403749682 488134739 /nfs/dbraw/zinc/13/47/39/488134739.db2.gz BMBUDWNYFLBPTE-IJLUTSLNSA-N 0 3 228.336 0.474 20 0 BCADHN O=C(CNC1CC1)NCC(F)(F)C(F)F ZINC000230691785 488136591 /nfs/dbraw/zinc/13/65/91/488136591.db2.gz KQJQEQHRBUKQGR-UHFFFAOYSA-N 0 3 228.189 0.755 20 0 BCADHN Cc1cnn(C)c1CNC1([C@H](C)O)CC1 ZINC000668702733 488139018 /nfs/dbraw/zinc/13/90/18/488139018.db2.gz PBPWTQXOTLGZHZ-VIFPVBQESA-N 0 3 209.293 0.732 20 0 BCADHN CC(C)=CCCN(C)CC(=O)N1CCNCC1 ZINC000662238851 487471929 /nfs/dbraw/zinc/47/19/29/487471929.db2.gz YSWACFSOERUPIG-UHFFFAOYSA-N 0 3 239.363 0.706 20 0 BCADHN CCOC1CC(NCc2cnnn2CC)C1 ZINC000669560002 487472214 /nfs/dbraw/zinc/47/22/14/487472214.db2.gz XHUYUFZSBCUZHG-UHFFFAOYSA-N 0 3 224.308 0.955 20 0 BCADHN O=C(C1CCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405217026 487476555 /nfs/dbraw/zinc/47/65/55/487476555.db2.gz KLIFVLVBCIOSLB-WDEREUQCSA-N 0 3 224.304 0.064 20 0 BCADHN O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1N1CC[C@@H](O)C1 ZINC000659880365 487481409 /nfs/dbraw/zinc/48/14/09/487481409.db2.gz NLCOSFKUJOCHPY-DDHJBXDOSA-N 0 3 238.331 0.500 20 0 BCADHN CC1(C(=O)N[C@@H]2CCN(CC3CC3)C2)COC1 ZINC000679888570 487481580 /nfs/dbraw/zinc/48/15/80/487481580.db2.gz ZBZRXDRFYOMZPM-LLVKDONJSA-N 0 3 238.331 0.623 20 0 BCADHN CC1(C(=O)N[C@H]2CCN(CC3CC3)C2)COC1 ZINC000679888571 487481611 /nfs/dbraw/zinc/48/16/11/487481611.db2.gz ZBZRXDRFYOMZPM-NSHDSACASA-N 0 3 238.331 0.623 20 0 BCADHN O[C@@H]1C[C@H]2CN([C@@H]3CCCC[C@H]3O)CCN2C1 ZINC000405201220 487476731 /nfs/dbraw/zinc/47/67/31/487476731.db2.gz CUJGWSDXOSOTBN-UMSGYPCISA-N 0 3 240.347 0.041 20 0 BCADHN C[C@@H](NC(=O)[C@H]1CCCCN1C)c1nc[nH]n1 ZINC000673917476 487477802 /nfs/dbraw/zinc/47/78/02/487477802.db2.gz KMNXHAGKEXUAOX-RKDXNWHRSA-N 0 3 237.307 0.466 20 0 BCADHN C[C@@H](NC(=O)[C@H]1CCCCN1C)c1nnc[nH]1 ZINC000673917476 487477806 /nfs/dbraw/zinc/47/78/06/487477806.db2.gz KMNXHAGKEXUAOX-RKDXNWHRSA-N 0 3 237.307 0.466 20 0 BCADHN C[C@@H]1CCN(C(=O)COC2(C)CNC2)C[C@@H]1C ZINC000161252034 487486357 /nfs/dbraw/zinc/48/63/57/487486357.db2.gz AQHLVUDKTSRNRD-MNOVXSKESA-N 0 3 240.347 0.869 20 0 BCADHN CCCN1CC[C@@H](NCc2ncc[nH]2)C1 ZINC000393957290 487486644 /nfs/dbraw/zinc/48/66/44/487486644.db2.gz YAUQNOXWLCCLSQ-SNVBAGLBSA-N 0 3 208.309 0.984 20 0 BCADHN COCCNCC(=O)NCc1csc(C)n1 ZINC000086158128 487486811 /nfs/dbraw/zinc/48/68/11/487486811.db2.gz QJHAKPGTPXUROX-UHFFFAOYSA-N 0 3 243.332 0.304 20 0 BCADHN COCCNCC(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000086158338 487486935 /nfs/dbraw/zinc/48/69/35/487486935.db2.gz UVLBQKDNSODBIF-UWVGGRQHSA-N 0 3 246.376 0.575 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@H]1CO[C@H](C2CC2)C1 ZINC000668226719 487487715 /nfs/dbraw/zinc/48/77/15/487487715.db2.gz RPDOBDHDISOEQZ-FVCCEPFGSA-N 0 3 241.331 0.947 20 0 BCADHN C[C@@H](O)CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000685000537 487487847 /nfs/dbraw/zinc/48/78/47/487487847.db2.gz LZKNCDQCKMWAQN-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN CCn1ccc(=NC(=O)[C@@H](C(C)C)[C@H](C)N)[nH]1 ZINC000399577488 487489782 /nfs/dbraw/zinc/48/97/82/487489782.db2.gz MIEVSXOKWNEKDZ-ONGXEEELSA-N 0 3 238.335 0.883 20 0 BCADHN Cc1ccc(CNCCOCCO)cn1 ZINC000062052957 487491863 /nfs/dbraw/zinc/49/18/63/487491863.db2.gz ABIAOBCHIKQRLN-UHFFFAOYSA-N 0 3 210.277 0.489 20 0 BCADHN C[C@@H](C(=O)NC[C@H](N)c1ccccc1)N(C)C ZINC000237611469 487492764 /nfs/dbraw/zinc/49/27/64/487492764.db2.gz MOAZCHKJLDAXSW-JQWIXIFHSA-N 0 3 235.331 0.753 20 0 BCADHN CN[C@@H](C)C(=O)NCC1(CO)CCCCC1 ZINC000168348711 487499036 /nfs/dbraw/zinc/49/90/36/487499036.db2.gz JGSNGUAVDRAHCW-JTQLQIEISA-N 0 3 228.336 0.653 20 0 BCADHN CO[C@@H]1CCCN([C@@H]2CCCNC2=O)CC1 ZINC000679953261 487502145 /nfs/dbraw/zinc/50/21/45/487502145.db2.gz NRSOQEPGRBLXCN-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)[C@H](NC[C@@H](C)O)C(=O)N1CCCC1 ZINC000381356190 487505063 /nfs/dbraw/zinc/50/50/63/487505063.db2.gz CINDAOBGYVJOKY-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN CN(C)C[C@@H](CO)Nc1ccnc(C2CC2)n1 ZINC000685262098 487505402 /nfs/dbraw/zinc/50/54/02/487505402.db2.gz HLADQORFKVDDRM-JTQLQIEISA-N 0 3 236.319 0.688 20 0 BCADHN CN(C)C[C@H](CO)Nc1ccnc(C2CC2)n1 ZINC000685262099 487505618 /nfs/dbraw/zinc/50/56/18/487505618.db2.gz HLADQORFKVDDRM-SNVBAGLBSA-N 0 3 236.319 0.688 20 0 BCADHN CN(C)C[C@@H](CO)Nc1ncnc2ccccc21 ZINC000685262044 487506817 /nfs/dbraw/zinc/50/68/17/487506817.db2.gz FCQDJPBEDVTMMY-JTQLQIEISA-N 0 3 246.314 0.964 20 0 BCADHN C[C@H](C[C@H](C)O)NC(=O)N[C@H]1CCCN(C)C1 ZINC000679968712 487506083 /nfs/dbraw/zinc/50/60/83/487506083.db2.gz FHPDMYGRRVRTSK-VWYCJHECSA-N 0 3 243.351 0.539 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1cccc(N)c1 ZINC000169813672 487507833 /nfs/dbraw/zinc/50/78/33/487507833.db2.gz BRMIMBUDCJYOLS-LLVKDONJSA-N 0 3 221.304 0.868 20 0 BCADHN CN(C)CCN(C)C(=O)C1(C)CCOCC1 ZINC000673943481 487518013 /nfs/dbraw/zinc/51/80/13/487518013.db2.gz ANLDKGNRZFWGDR-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN Cn1cncc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000685433823 487522366 /nfs/dbraw/zinc/52/23/66/487522366.db2.gz VUCAZOOUINNBIK-NSHDSACASA-N 0 3 248.330 0.634 20 0 BCADHN C[C@H](O)CCNCc1cn2cccnc2n1 ZINC000668777009 487523085 /nfs/dbraw/zinc/52/30/85/487523085.db2.gz LJDXEGCNGDOBNM-VIFPVBQESA-N 0 3 220.276 0.590 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2cncn2C)C1 ZINC000685447577 487526144 /nfs/dbraw/zinc/52/61/44/487526144.db2.gz ITCUVMLEKVUGFE-NXEZZACHSA-N 0 3 236.319 0.490 20 0 BCADHN C[C@@H](C(=O)N[C@H]1CCN(CC2CC2)C1)N(C)C ZINC000674246316 487526886 /nfs/dbraw/zinc/52/68/86/487526886.db2.gz IZSGPIXOEIMBKT-JQWIXIFHSA-N 0 3 239.363 0.537 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]C[C@@H]([NH3+])C2CC2)o1 ZINC000447244250 488153075 /nfs/dbraw/zinc/15/30/75/488153075.db2.gz COSHTDYJKRZDTB-SECBINFHSA-N 0 3 244.316 0.604 20 0 BCADHN OCC1(O)CCN(CCC2(O)CCC2)CC1 ZINC000396793654 487533976 /nfs/dbraw/zinc/53/39/76/487533976.db2.gz UZKMJMQEDDAZPL-UHFFFAOYSA-N 0 3 229.320 0.111 20 0 BCADHN CN(C)C1CN(C(=O)[C@H]2CCCCN2C)C1 ZINC000677943012 488162117 /nfs/dbraw/zinc/16/21/17/488162117.db2.gz WDKMKCSXBVVYFF-LLVKDONJSA-N 0 3 225.336 0.243 20 0 BCADHN COC[C@@H]1CCCN1C(=O)C(C)S(C)(=O)=O ZINC000674590165 487597970 /nfs/dbraw/zinc/59/79/70/487597970.db2.gz HTNYUXBHGUCZSI-IUCAKERBSA-N 0 3 249.332 0.057 20 0 BCADHN CCCN(CCN(C)C)C(=O)C[C@H]1CC(=O)N1 ZINC000668301987 487636312 /nfs/dbraw/zinc/63/63/12/487636312.db2.gz XGXWDLRAEAWSNI-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1ccn(C)n1 ZINC000674921066 487655299 /nfs/dbraw/zinc/65/52/99/487655299.db2.gz WMGBMCDZLQJAJH-JTQLQIEISA-N 0 3 236.319 0.586 20 0 BCADHN O=C1C[C@H](NC2CCCC2)C(=O)N1C1CC1 ZINC000102665247 487666219 /nfs/dbraw/zinc/66/62/19/487666219.db2.gz WNLWVURRDASQIE-JTQLQIEISA-N 0 3 222.288 0.809 20 0 BCADHN C[C@H]1CN([C@@H]2CCCOC2)CCN1CCO ZINC000681712435 487848140 /nfs/dbraw/zinc/84/81/40/487848140.db2.gz XBPWNHHADPIDRS-NWDGAFQWSA-N 0 3 228.336 0.164 20 0 BCADHN Cc1ccc2nc(Cn3cc(CN)nn3)cn2c1 ZINC000050224910 487896691 /nfs/dbraw/zinc/89/66/91/487896691.db2.gz AYORTFKMTJNMJL-UHFFFAOYSA-N 0 3 242.286 0.741 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)NCCCCO)C1 ZINC000235550289 487980974 /nfs/dbraw/zinc/98/09/74/487980974.db2.gz BBWLHKRVVXTTKS-UWVGGRQHSA-N 0 3 214.309 0.263 20 0 BCADHN CCN1OC[C@H](N2CCC[C@H](N(C)C)C2)C1=O ZINC000682676653 488011959 /nfs/dbraw/zinc/01/19/59/488011959.db2.gz BMWZJAJMGBZIJW-QWRGUYRKSA-N 0 3 241.335 0.175 20 0 BCADHN CC[C@H](C(N)=O)N(CC)C[C@H]1CCOC1 ZINC000677885126 488147488 /nfs/dbraw/zinc/14/74/88/488147488.db2.gz FTRWZXXSQHBWSM-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN CN1CCC[C@H](N[C@@H]2CO[C@H](C3CC3)C2)C1=O ZINC000667891948 488147880 /nfs/dbraw/zinc/14/78/80/488147880.db2.gz BFOXRWHPXGZEAT-SRVKXCTJSA-N 0 3 238.331 0.764 20 0 BCADHN Cc1noc2ncnc(N(C)C3CNC3)c12 ZINC000085258511 488150477 /nfs/dbraw/zinc/15/04/77/488150477.db2.gz GPPLBFHUZTYJED-UHFFFAOYSA-N 0 3 219.248 0.334 20 0 BCADHN CC(C)NC(=O)CNC1(CO)CCCCC1 ZINC000053097450 488153513 /nfs/dbraw/zinc/15/35/13/488153513.db2.gz UZJRVIYQZBUNSA-UHFFFAOYSA-N 0 3 228.336 0.796 20 0 BCADHN CCO[C@H]1C[C@H](N[C@H](C)C(N)=O)C12CCC2 ZINC000390474846 488158734 /nfs/dbraw/zinc/15/87/34/488158734.db2.gz KGLYYHPYOUHFSE-UTLUCORTSA-N 0 3 226.320 0.798 20 0 BCADHN CCn1cc(CN[C@@H]2CCOC[C@@H]2C)nn1 ZINC000404441734 488161236 /nfs/dbraw/zinc/16/12/36/488161236.db2.gz XNSFXJSBRJVSAZ-GXSJLCMTSA-N 0 3 224.308 0.813 20 0 BCADHN CCOCC[C@@H](O)CN1CCN(CC)[C@@H](C)C1 ZINC000683435078 488161688 /nfs/dbraw/zinc/16/16/88/488161688.db2.gz ZBTRWBJYYRCPME-QWHCGFSZSA-N 0 3 244.379 0.800 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1cn(CC)nn1 ZINC000404459902 488163707 /nfs/dbraw/zinc/16/37/07/488163707.db2.gz NLFIQAZARTVUNV-LLVKDONJSA-N 0 3 239.323 0.432 20 0 BCADHN O=C(CN[C@@H]1CO[C@@H](C2CC2)C1)NCC1CC1 ZINC000667944763 488164282 /nfs/dbraw/zinc/16/42/82/488164282.db2.gz VRGLIXCLCZXLOB-NWDGAFQWSA-N 0 3 238.331 0.670 20 0 BCADHN O=C(CN[C@@H]1CO[C@H](C2CC2)C1)NCC1CC1 ZINC000667944764 488164489 /nfs/dbraw/zinc/16/44/89/488164489.db2.gz VRGLIXCLCZXLOB-RYUDHWBXSA-N 0 3 238.331 0.670 20 0 BCADHN C[C@H](CC(N)=O)NCc1n[nH]c2ccccc21 ZINC000677964894 488165537 /nfs/dbraw/zinc/16/55/37/488165537.db2.gz KRBTXSLODANURL-MRVPVSSYSA-N 0 3 232.287 0.916 20 0 BCADHN C[C@H](CC(N)=O)NCc1[nH]nc2ccccc21 ZINC000677964894 488165539 /nfs/dbraw/zinc/16/55/39/488165539.db2.gz KRBTXSLODANURL-MRVPVSSYSA-N 0 3 232.287 0.916 20 0 BCADHN c1cn(CCN2CCc3cn[nH]c3C2)cn1 ZINC000677988942 488168745 /nfs/dbraw/zinc/16/87/45/488168745.db2.gz OMBXASKITHNWSU-UHFFFAOYSA-N 0 3 217.276 0.665 20 0 BCADHN CC(C)O[C@@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000404627942 488172363 /nfs/dbraw/zinc/17/23/63/488172363.db2.gz FBXIQYLHFWPFGI-CHWSQXEVSA-N 0 3 242.363 0.864 20 0 BCADHN NC(=O)C1(NC2CC(CF)(CF)C2)CC1 ZINC000667979426 488173409 /nfs/dbraw/zinc/17/34/09/488173409.db2.gz IJGVKRIQQSQCDQ-UHFFFAOYSA-N 0 3 218.247 0.682 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N1C(=O)CN1CCNCC1 ZINC000136114653 488175838 /nfs/dbraw/zinc/17/58/38/488175838.db2.gz YNFLUAMBXRZNPS-VXGBXAGGSA-N 0 3 239.363 0.681 20 0 BCADHN C[C@@H](N)C(=O)N1CCCC(F)(F)CC1 ZINC000606279609 488177283 /nfs/dbraw/zinc/17/72/83/488177283.db2.gz UNSZULVFBAUHQF-SSDOTTSWSA-N 0 3 206.236 0.981 20 0 BCADHN CCN1CCC(N(C)C(=O)[C@H](O)C2CC2)CC1 ZINC000667998182 488179272 /nfs/dbraw/zinc/17/92/72/488179272.db2.gz QJUCIZFQCXWSAU-GFCCVEGCSA-N 0 3 240.347 0.700 20 0 BCADHN CCN1CCC(N(C)C(=O)c2ncc[nH]2)CC1 ZINC000667998138 488179597 /nfs/dbraw/zinc/17/95/97/488179597.db2.gz PBRPRKHGEGTTDN-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN C[C@H](CO)CN1CCC[C@H](N2CCNC2=O)C1 ZINC000678044474 488180005 /nfs/dbraw/zinc/18/00/05/488180005.db2.gz CEYSTATYVCIZAC-QWRGUYRKSA-N 0 3 241.335 0.104 20 0 BCADHN CS(=O)(=O)NC1CC(NCC2(F)CC2)C1 ZINC000380262578 488182680 /nfs/dbraw/zinc/18/26/80/488182680.db2.gz SDVMIBWCJJURSQ-UHFFFAOYSA-N 0 3 236.312 0.158 20 0 BCADHN FC1(F)CCCN(C[C@H]2CNCCO2)C1 ZINC000259620745 488182985 /nfs/dbraw/zinc/18/29/85/488182985.db2.gz WCURUPUMVQPXAC-SECBINFHSA-N 0 3 220.263 0.706 20 0 BCADHN O=C([C@@H](O)C1CC1)N1CC[C@H](N2CCCC2)C1 ZINC000668007872 488183008 /nfs/dbraw/zinc/18/30/08/488183008.db2.gz HRILKWSFJZRVCR-RYUDHWBXSA-N 0 3 238.331 0.454 20 0 BCADHN C[C@H](O)CN1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000189299750 488184860 /nfs/dbraw/zinc/18/48/60/488184860.db2.gz ZCEZKVALVMSSPR-YNEHKIRRSA-N 0 3 242.363 0.288 20 0 BCADHN COC[C@H](OC)C(=O)N1CCC[C@@H]1CN(C)C ZINC000668013063 488185977 /nfs/dbraw/zinc/18/59/77/488185977.db2.gz PTKBQEZSNHCGLD-MNOVXSKESA-N 0 3 244.335 0.200 20 0 BCADHN CC(C)NCC(=O)NCCCn1ccnc1 ZINC000037477105 488186463 /nfs/dbraw/zinc/18/64/63/488186463.db2.gz JTZFWVCJDDAAJB-UHFFFAOYSA-N 0 3 224.308 0.387 20 0 BCADHN Cc1nccnc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000668023185 488188610 /nfs/dbraw/zinc/18/86/10/488188610.db2.gz ZWEPMTXVHCYAMS-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000668022773 488188983 /nfs/dbraw/zinc/18/89/83/488188983.db2.gz PMLREDLNWPDRPJ-WYUUTHIRSA-N 0 3 238.331 0.431 20 0 BCADHN O=C(NCCNc1ccncc1)c1nccs1 ZINC000683539726 488190569 /nfs/dbraw/zinc/19/05/69/488190569.db2.gz PXEVNYDDRVMJFQ-UHFFFAOYSA-N 0 3 248.311 0.802 20 0 BCADHN COC[C@H](OC)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000668096085 488197046 /nfs/dbraw/zinc/19/70/46/488197046.db2.gz YGULJJNHUVVUHL-KOLCDFICSA-N 0 3 244.335 0.247 20 0 BCADHN CCN1C[C@H](CNCc2n[nH]cc2C)CC1=O ZINC000651999080 488199492 /nfs/dbraw/zinc/19/94/92/488199492.db2.gz FCCGIOBGUXBGBY-JTQLQIEISA-N 0 3 236.319 0.676 20 0 BCADHN COCC1(N(C)CCC(=O)N(C)C)CC1 ZINC000677725140 488201008 /nfs/dbraw/zinc/20/10/08/488201008.db2.gz BVVKIZLYDYLWEH-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN CO[C@H](C)CNC[C@@](C)(O)C(F)(F)F ZINC000308492240 488205570 /nfs/dbraw/zinc/20/55/70/488205570.db2.gz AGGFLTZNQVOJBY-RNFRBKRXSA-N 0 3 215.215 0.924 20 0 BCADHN CO[C@@H](C)CNC[C@@](C)(O)C(F)(F)F ZINC000308492238 488205871 /nfs/dbraw/zinc/20/58/71/488205871.db2.gz AGGFLTZNQVOJBY-NKWVEPMBSA-N 0 3 215.215 0.924 20 0 BCADHN CO[C@@H](C)CNC[C@](C)(O)C(F)(F)F ZINC000308492236 488205908 /nfs/dbraw/zinc/20/59/08/488205908.db2.gz AGGFLTZNQVOJBY-BQBZGAKWSA-N 0 3 215.215 0.924 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN1CC=CCC1 ZINC000683668963 488206133 /nfs/dbraw/zinc/20/61/33/488206133.db2.gz GCKYEZAGNCKRRB-RYUDHWBXSA-N 0 3 229.320 0.661 20 0 BCADHN c1ccc2c(c1)CN(C[C@@H]1CNCCO1)C2 ZINC000050912678 488209850 /nfs/dbraw/zinc/20/98/50/488209850.db2.gz CYKPAWKDDWFCTH-ZDUSSCGKSA-N 0 3 218.300 0.991 20 0 BCADHN CCN(CCNC(=O)[C@@H](O)C1CC1)C1CC1 ZINC000668152264 488210736 /nfs/dbraw/zinc/21/07/36/488210736.db2.gz FXHIGUVGPMZIBU-NSHDSACASA-N 0 3 226.320 0.358 20 0 BCADHN C=Cn1cc(CN[C@@H]2CCC[C@@H]2C(=O)NC)cn1 ZINC000683704638 488210934 /nfs/dbraw/zinc/21/09/34/488210934.db2.gz CPRDASPPFHUSLH-NWDGAFQWSA-N 0 3 248.330 0.988 20 0 BCADHN C[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC000678171644 488211645 /nfs/dbraw/zinc/21/16/45/488211645.db2.gz ISBYEYRAXDVPDP-WOPDTQHZSA-N 0 3 229.320 0.495 20 0 BCADHN C[C@@H](C(=O)N1C[C@@H](C)N(C)C[C@@H]1C)N(C)C ZINC000678216822 488219128 /nfs/dbraw/zinc/21/91/28/488219128.db2.gz ICHKKQPBEYPIFO-VWYCJHECSA-N 0 3 227.352 0.488 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000398651043 488221673 /nfs/dbraw/zinc/22/16/73/488221673.db2.gz YLGGFOFYXIPQPR-CIUDSAMLSA-N 0 3 202.298 0.118 20 0 BCADHN CC(C)NCC(=O)NC[C@@H](C)C[C@H](C)O ZINC000398644846 488221715 /nfs/dbraw/zinc/22/17/15/488221715.db2.gz WKBUWYKZIKGRAZ-UWVGGRQHSA-N 0 3 216.325 0.508 20 0 BCADHN CN1CCN(Cc2cn[nH]c2)C(C)(C)C1 ZINC000678268708 488226511 /nfs/dbraw/zinc/22/65/11/488226511.db2.gz VAWQUWFUSQISDC-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN Cc1cn(C)nc1NC(=O)NCCN(C)C ZINC000668210955 488226589 /nfs/dbraw/zinc/22/65/89/488226589.db2.gz RDDSKMQMNXZYHI-UHFFFAOYSA-N 0 3 225.296 0.412 20 0 BCADHN CCNC(=O)CN(C)C[C@H]1CCSC1 ZINC000683826556 488227292 /nfs/dbraw/zinc/22/72/92/488227292.db2.gz VFBRXNBPKLVVHK-SECBINFHSA-N 0 3 216.350 0.807 20 0 BCADHN CCN1CCN(Cc2cc[nH]n2)C[C@H]1C ZINC000678260896 488228447 /nfs/dbraw/zinc/22/84/47/488228447.db2.gz FSCWIGWRKRAMCJ-SNVBAGLBSA-N 0 3 208.309 0.936 20 0 BCADHN COC[C@H](C)NC(=O)[C@H]1CCCCN1 ZINC000019412335 488228813 /nfs/dbraw/zinc/22/88/13/488228813.db2.gz AOQOABOSYIPPLP-DTWKUNHWSA-N 0 3 200.282 0.280 20 0 BCADHN CNC(=O)[C@@H]1CCCN(Cc2cn[nH]c2)C1 ZINC000678263948 488229281 /nfs/dbraw/zinc/22/92/81/488229281.db2.gz IEWSUPAHLWDBIN-SNVBAGLBSA-N 0 3 222.292 0.368 20 0 BCADHN Cc1n[nH]cc1CN1CCC2(CNC(=O)C2)CC1 ZINC000678269070 488232233 /nfs/dbraw/zinc/23/22/33/488232233.db2.gz KMQBDXFTAHPUSX-UHFFFAOYSA-N 0 3 248.330 0.820 20 0 BCADHN O=C1C[C@@H]([C@@H]2CCCCN2Cc2cn[nH]c2)CN1 ZINC000678344035 488244084 /nfs/dbraw/zinc/24/40/84/488244084.db2.gz UQFLTCGBZMBLRH-NEPJUHHUSA-N 0 3 248.330 0.900 20 0 BCADHN Cc1noc2ncnc(NCCN(C)C)c12 ZINC000195505207 488244437 /nfs/dbraw/zinc/24/44/37/488244437.db2.gz NZECSHLXOTTYEP-UHFFFAOYSA-N 0 3 221.264 0.900 20 0 BCADHN c1cc(N2CCN([C@@H]3CCOC3)CC2)ccn1 ZINC000678349821 488245097 /nfs/dbraw/zinc/24/50/97/488245097.db2.gz NLDVVCBOVMLQDB-CYBMUJFWSA-N 0 3 233.315 0.993 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCC(=O)N2)n1 ZINC000683932532 488247268 /nfs/dbraw/zinc/24/72/68/488247268.db2.gz MILYJRBOYBCARG-SNVBAGLBSA-N 0 3 249.314 0.854 20 0 BCADHN C[C@@H]1[C@@H](C)N(c2ncnc3n[nH]cc32)CCN1C ZINC000678408744 488252241 /nfs/dbraw/zinc/25/22/41/488252241.db2.gz RVJLPKZBLKFZRS-RKDXNWHRSA-N 0 3 246.318 0.882 20 0 BCADHN C[C@@H](CO)CN(C)CCc1cnccn1 ZINC000678466676 488257391 /nfs/dbraw/zinc/25/73/91/488257391.db2.gz DGLYJFHMVIACTD-SNVBAGLBSA-N 0 3 209.293 0.579 20 0 BCADHN C[C@H]1[C@H](C)N(CCn2ccccc2=O)CCN1C ZINC000678469855 488258527 /nfs/dbraw/zinc/25/85/27/488258527.db2.gz PAGJQEGSSLWVLG-STQMWFEESA-N 0 3 249.358 0.873 20 0 BCADHN CN(CCOCCO)Cc1cccc(N)c1 ZINC000040229089 488260685 /nfs/dbraw/zinc/26/06/85/488260685.db2.gz GTJDWLKOPLTEEC-UHFFFAOYSA-N 0 3 224.304 0.710 20 0 BCADHN Cn1nnnc1CCNCc1cccc(F)c1 ZINC000678498584 488262679 /nfs/dbraw/zinc/26/26/79/488262679.db2.gz JIIAUUAWCVTYOS-UHFFFAOYSA-N 0 3 235.266 0.682 20 0 BCADHN Cc1ccncc1[C@@H](C)NCCc1nnnn1C ZINC000678547789 488265891 /nfs/dbraw/zinc/26/58/91/488265891.db2.gz HVPDXTSTZWALLY-SNVBAGLBSA-N 0 3 246.318 0.807 20 0 BCADHN C[C@@H](CO)CN1C[C@@H](C)OC2(CCOCC2)C1 ZINC000684100039 488266609 /nfs/dbraw/zinc/26/66/09/488266609.db2.gz AKHDLAATLDVHNQ-VXGBXAGGSA-N 0 3 243.347 0.885 20 0 BCADHN CN(C)CCNc1cncc(-n2cncn2)n1 ZINC000678613000 488272491 /nfs/dbraw/zinc/27/24/91/488272491.db2.gz MAJHMEFMFMAAPH-UHFFFAOYSA-N 0 3 233.279 0.031 20 0 BCADHN Cc1noc(C(=O)NC[C@H](C)N(C)C2CC2)n1 ZINC000684191591 488273120 /nfs/dbraw/zinc/27/31/20/488273120.db2.gz AMXHXBCGFFJGCU-ZETCQYMHSA-N 0 3 238.291 0.591 20 0 BCADHN OCc1ccc(CN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000679319807 488335093 /nfs/dbraw/zinc/33/50/93/488335093.db2.gz LFKTWWHNFLMSMD-BETUJISGSA-N 0 3 237.299 0.106 20 0 BCADHN CC[C@@H]1CN(C[C@@H](C)CO)C[C@@]2(CCOC2)O1 ZINC000684626035 488335406 /nfs/dbraw/zinc/33/54/06/488335406.db2.gz HLRWCSQDZBGHNG-JHJVBQTASA-N 0 3 243.347 0.885 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000673412400 488285237 /nfs/dbraw/zinc/28/52/37/488285237.db2.gz FAGWXAAUXBNFLY-JTQLQIEISA-N 0 3 241.335 0.052 20 0 BCADHN CC[C@H](C(=O)N1CC(C)(F)C1)N(C)C ZINC000684326143 488291125 /nfs/dbraw/zinc/29/11/25/488291125.db2.gz VSVZFYVZVQRPPO-MRVPVSSYSA-N 0 3 202.273 0.897 20 0 BCADHN CC(C)CC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673518158 488291971 /nfs/dbraw/zinc/29/19/71/488291971.db2.gz SFGRKXRPCARPGB-VXGBXAGGSA-N 0 3 240.347 0.700 20 0 BCADHN O=C(N[C@@H](CO)CN1CCCC1)c1cccnc1 ZINC000673531720 488294160 /nfs/dbraw/zinc/29/41/60/488294160.db2.gz PCYDIXQRGUMKEK-GFCCVEGCSA-N 0 3 249.314 0.268 20 0 BCADHN C[C@H](C(=O)N[C@@H](CO)CN1CCCC1)C1CC1 ZINC000673531330 488294305 /nfs/dbraw/zinc/29/43/05/488294305.db2.gz NKIWIWGHWXJRBW-CMPLNLGQSA-N 0 3 240.347 0.605 20 0 BCADHN CC[C@H](C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000673531084 488294331 /nfs/dbraw/zinc/29/43/31/488294331.db2.gz MHSXZVBBDPXQEG-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN Cn1cnc(CN[C@H]2CCn3ccnc3C2)c1 ZINC000673607025 488297773 /nfs/dbraw/zinc/29/77/73/488297773.db2.gz JXJZBXXLSJGKGC-JTQLQIEISA-N 0 3 231.303 0.721 20 0 BCADHN CC[C@H](C)N1CCN(CCOCCO)CC1 ZINC000055068944 488341042 /nfs/dbraw/zinc/34/10/42/488341042.db2.gz ORPYACJKAGXGBF-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN Cc1cc(CNC(=O)C2CCN(C)CC2)[nH]n1 ZINC000673670257 488302210 /nfs/dbraw/zinc/30/22/10/488302210.db2.gz AGFLGKGMXLAOKE-UHFFFAOYSA-N 0 3 236.319 0.676 20 0 BCADHN CN(Cc1cn[nH]c1)C(=O)C1CCN(C)CC1 ZINC000673672227 488302469 /nfs/dbraw/zinc/30/24/69/488302469.db2.gz PIZSVDRLCQNVBO-UHFFFAOYSA-N 0 3 236.319 0.710 20 0 BCADHN CN(C)CCN(C)c1cc2c(nn1)CCC2 ZINC000673817117 488308661 /nfs/dbraw/zinc/30/86/61/488308661.db2.gz MHAPHFSASKXPMK-UHFFFAOYSA-N 0 3 220.320 0.963 20 0 BCADHN C[C@H](NC(=O)NCCN(C)C)[C@@H]1CCCCO1 ZINC000679168038 488314116 /nfs/dbraw/zinc/31/41/16/488314116.db2.gz ZUXVAUKEABOPJC-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H]1C[C@H]1C(=O)NCCOCCN(C)C ZINC000679169703 488314474 /nfs/dbraw/zinc/31/44/74/488314474.db2.gz WRCNFGNFDJNIMT-VHSXEESVSA-N 0 3 214.309 0.337 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)CCC(F)F ZINC000684467171 488317078 /nfs/dbraw/zinc/31/70/78/488317078.db2.gz DWYUEUBZCKLQFU-JTQLQIEISA-N 0 3 238.278 0.461 20 0 BCADHN CC(C)[C@H]1CN(C[C@@H](C)CO)CCO1 ZINC000679218450 488318083 /nfs/dbraw/zinc/31/80/83/488318083.db2.gz CTUZTWVECIJSMG-GHMZBOCLSA-N 0 3 201.310 0.972 20 0 BCADHN CC(C)C1CN(C[C@H](O)CN2CCOCC2)C1 ZINC000684607805 488331592 /nfs/dbraw/zinc/33/15/92/488331592.db2.gz MHWAYPFCSMWOGD-CYBMUJFWSA-N 0 3 242.363 0.267 20 0 BCADHN CCOC[C@H](O)CN1CC([C@H]2CCOC2)C1 ZINC000684607938 488331759 /nfs/dbraw/zinc/33/17/59/488331759.db2.gz PUXRJBSHHAVKQV-CMPLNLGQSA-N 0 3 229.320 0.352 20 0 BCADHN c1ncc(CN2CCN([C@@H]3CCOC3)CC2)[nH]1 ZINC000684619613 488333040 /nfs/dbraw/zinc/33/30/40/488333040.db2.gz HAEHRBDXXSVIGB-GFCCVEGCSA-N 0 3 236.319 0.316 20 0 BCADHN C1=CCN(CCCN2CCOCC2)CC1 ZINC000679321439 488335694 /nfs/dbraw/zinc/33/56/94/488335694.db2.gz BYYRTQRFIZXWTF-UHFFFAOYSA-N 0 3 210.321 0.971 20 0 BCADHN O=C([C@H]1CN2CCN1CCC2)N1CC=CCC1 ZINC000679327424 488339537 /nfs/dbraw/zinc/33/95/37/488339537.db2.gz MOXQNKPSVIRPBP-GFCCVEGCSA-N 0 3 235.331 0.165 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NC1(CCO)CCN(C)CC1 ZINC000679401607 488350845 /nfs/dbraw/zinc/35/08/45/488350845.db2.gz YWNQKLYEIRSLBL-QWRGUYRKSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H](NCc1cncn1C)[C@H]1CN(C)CCO1 ZINC000129283900 490053435 /nfs/dbraw/zinc/05/34/35/490053435.db2.gz HGDFOFKQXQHACL-CMPLNLGQSA-N 0 3 238.335 0.229 20 0 BCADHN COCCN(CCOC)C[C@H](C)CO ZINC000120517776 490063288 /nfs/dbraw/zinc/06/32/88/490063288.db2.gz RUWPZOSBQVWBIF-JTQLQIEISA-N 0 3 205.298 0.210 20 0 BCADHN CCC(=O)N1CCCN(C[C@H](C)CO)CC1 ZINC000120680975 490067208 /nfs/dbraw/zinc/06/72/08/490067208.db2.gz CNPCWYYEUQUYPG-NSHDSACASA-N 0 3 228.336 0.559 20 0 BCADHN COc1ccc(CN[C@H](CO)CCF)cn1 ZINC000652018856 490090947 /nfs/dbraw/zinc/09/09/47/490090947.db2.gz DUDZFSNIZYCAMJ-JTQLQIEISA-N 0 3 228.267 0.900 20 0 BCADHN CC(C)CCc1cc(NC(=O)[C@@H]2C[C@@H]2N)n[nH]1 ZINC000574808592 490097497 /nfs/dbraw/zinc/09/74/97/490097497.db2.gz IZDFRIQKAPVZLA-ZJUUUORDSA-N 0 3 236.319 1.284 20 0 BCADHN Cc1nccc(NC[C@H]2CSCCN2)n1 ZINC000641686980 490102707 /nfs/dbraw/zinc/10/27/07/490102707.db2.gz GJIZVUDUJQWPNH-VIFPVBQESA-N 0 3 224.333 0.902 20 0 BCADHN CO[C@@H]1CCN(Cc2cnn(C)c2C)C1 ZINC000336526121 490111340 /nfs/dbraw/zinc/11/13/40/490111340.db2.gz FYHXLTDKBXLGRG-LLVKDONJSA-N 0 3 209.293 0.949 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NCCn1ccccc1=O ZINC000129547423 490151322 /nfs/dbraw/zinc/15/13/22/490151322.db2.gz YJIPHLISEXKYBJ-GHMZBOCLSA-N 0 3 236.315 0.597 20 0 BCADHN NC1(C(=O)NCCCCO)CCCCC1 ZINC000236187145 490162637 /nfs/dbraw/zinc/16/26/37/490162637.db2.gz KFTWCADKIRJGAF-UHFFFAOYSA-N 0 3 214.309 0.537 20 0 BCADHN COC[C@H](CC(C)(C)C)N[C@@H]1COC[C@H]1O ZINC000652205694 490169248 /nfs/dbraw/zinc/16/92/48/490169248.db2.gz GRNDRJWFQNUVDO-HBNTYKKESA-N 0 3 231.336 0.787 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C[C@H]3CCCO3)[C@@H]2C1 ZINC000652323702 490187345 /nfs/dbraw/zinc/18/73/45/490187345.db2.gz NNIIFYPWUVVCAD-IJLUTSLNSA-N 0 3 238.331 0.718 20 0 BCADHN CCC[C@@H](CNCC(=O)N(C)C)OC ZINC000382320353 490195069 /nfs/dbraw/zinc/19/50/69/490195069.db2.gz SVMACBGILIEAEV-VIFPVBQESA-N 0 3 202.298 0.479 20 0 BCADHN CN(C)CCN1CCN(CCC2CC2)CC1=O ZINC000649686031 490200350 /nfs/dbraw/zinc/20/03/50/490200350.db2.gz VUSKMUVKDXDYAS-UHFFFAOYSA-N 0 3 239.363 0.492 20 0 BCADHN COc1ccnc(C(=O)N2C[C@@H](C)NC[C@@H]2C)c1 ZINC000237357502 490207305 /nfs/dbraw/zinc/20/73/05/490207305.db2.gz JGDKRFZWGYZVPV-ZJUUUORDSA-N 0 3 249.314 0.913 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)[C@H](C)N(C)C ZINC000078737517 490222313 /nfs/dbraw/zinc/22/23/13/490222313.db2.gz ZHALUDOHGANDFR-RYUDHWBXSA-N 0 3 241.379 0.927 20 0 BCADHN C[C@H](NCC[C@]1(O)CCOC1)c1ccncn1 ZINC000404157663 490225314 /nfs/dbraw/zinc/22/53/14/490225314.db2.gz VQWLECBIMOGTMU-JQWIXIFHSA-N 0 3 237.303 0.669 20 0 BCADHN C[C@@H](NCC[C@]1(O)CCOC1)c1ccncn1 ZINC000404157664 490225324 /nfs/dbraw/zinc/22/53/24/490225324.db2.gz VQWLECBIMOGTMU-PWSUYJOCSA-N 0 3 237.303 0.669 20 0 BCADHN C[C@@H]1CC[C@@H](N[C@@H]2COC[C@H]2O)CS1 ZINC000655773205 490229395 /nfs/dbraw/zinc/22/93/95/490229395.db2.gz YFPGVBQASZWQJN-ZYUZMQFOSA-N 0 3 217.334 0.620 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CNCCO2)CCS1 ZINC000123411681 490233861 /nfs/dbraw/zinc/23/38/61/490233861.db2.gz FKFBGMRJAYWSAV-ZJUUUORDSA-N 0 3 216.350 0.412 20 0 BCADHN OCCN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000070913822 490249235 /nfs/dbraw/zinc/24/92/35/490249235.db2.gz XCWWRCXOBKWNEP-LBPRGKRZSA-N 0 3 228.336 0.165 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@H]1CCCOC1 ZINC000071013496 490252381 /nfs/dbraw/zinc/25/23/81/490252381.db2.gz JALHPPZNKYCOKG-UWVGGRQHSA-N 0 3 214.309 0.668 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1CCCOC1 ZINC000071013513 490252407 /nfs/dbraw/zinc/25/24/07/490252407.db2.gz SOQBAQGZAJSREW-IUCAKERBSA-N 0 3 200.282 0.280 20 0 BCADHN COC[C@H](CN1CCC(CC(N)=O)CC1)OC ZINC000659843504 490269858 /nfs/dbraw/zinc/26/98/58/490269858.db2.gz AJMXLEYMYMLMIL-NSHDSACASA-N 0 3 244.335 0.235 20 0 BCADHN CN1C[C@@H](N[C@@H]2CCCn3nccc32)CCC1=O ZINC000657888222 490292699 /nfs/dbraw/zinc/29/26/99/490292699.db2.gz FUKFLUJTPFNSMY-WDEREUQCSA-N 0 3 248.330 0.928 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC[C@H]1C[C@@H]1C ZINC000668505898 490341400 /nfs/dbraw/zinc/34/14/00/490341400.db2.gz DWDNLZFOLIBKCU-QCLAVDOMSA-N 0 3 233.333 0.044 20 0 BCADHN CC(C)COCCCNC(=O)[C@]1(F)CCNC1 ZINC000363749374 490382047 /nfs/dbraw/zinc/38/20/47/490382047.db2.gz KCVYBBPYKKTHMQ-LBPRGKRZSA-N 0 3 246.326 0.867 20 0 BCADHN CNS(=O)(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655668176 490398376 /nfs/dbraw/zinc/39/83/76/490398376.db2.gz MVJDPMZXPQAVLF-UWVGGRQHSA-N 0 3 247.364 0.057 20 0 BCADHN CN(Cc1cccc(C(N)=O)c1)C[C@@H](O)C1CC1 ZINC000079787799 490464023 /nfs/dbraw/zinc/46/40/23/490464023.db2.gz ROYHEWFCINFERH-CYBMUJFWSA-N 0 3 248.326 0.988 20 0 BCADHN CCc1nn(C)cc1CNCCCn1ccnn1 ZINC000126590692 490506605 /nfs/dbraw/zinc/50/66/05/490506605.db2.gz BJPPZPCXZVTZBS-UHFFFAOYSA-N 0 3 248.334 0.754 20 0 BCADHN c1nc2c(n1C[C@H]1CNCCO1)CCCC2 ZINC000127329293 490545839 /nfs/dbraw/zinc/54/58/39/490545839.db2.gz ICKIWIWWXHGMNO-SNVBAGLBSA-N 0 3 221.304 0.750 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H](CO)C1CC1 ZINC000359771572 490562905 /nfs/dbraw/zinc/56/29/05/490562905.db2.gz CFUQYTDEDDUYON-NSHDSACASA-N 0 3 228.336 0.461 20 0 BCADHN COCC[C@@H](CO)NCc1ccc(O)cc1 ZINC000300891149 490571820 /nfs/dbraw/zinc/57/18/20/490571820.db2.gz PRMYHRFABZJWOO-NSHDSACASA-N 0 3 225.288 0.879 20 0 BCADHN C[C@@H]1COCC[C@H]1NCc1cncnc1 ZINC000300893825 490571827 /nfs/dbraw/zinc/57/18/27/490571827.db2.gz UVGLPPAZFIOHKD-MWLCHTKSSA-N 0 3 207.277 0.991 20 0 BCADHN COCC[C@H](CO)NCc1ccc(O)cc1 ZINC000300891148 490572198 /nfs/dbraw/zinc/57/21/98/490572198.db2.gz PRMYHRFABZJWOO-LLVKDONJSA-N 0 3 225.288 0.879 20 0 BCADHN CCN(CC)C(=O)CN(C)CCN1CCCC1 ZINC000128737556 490589177 /nfs/dbraw/zinc/58/91/77/490589177.db2.gz CRQKDAAQJDEYNK-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CCc1cc(NC(=O)CNC(C)C)n[nH]1 ZINC000129117495 490600393 /nfs/dbraw/zinc/60/03/93/490600393.db2.gz FVFBQJOJCVPIHJ-UHFFFAOYSA-N 0 3 210.281 0.909 20 0 BCADHN CCc1nn(C)cc1CN[C@H](CO)CCOC ZINC000305929030 490624471 /nfs/dbraw/zinc/62/44/71/490624471.db2.gz OEYUQUVJDFKHJE-NSHDSACASA-N 0 3 241.335 0.470 20 0 BCADHN O=S1(=O)CCCC[C@H]1CNC1CSC1 ZINC000306249192 490633490 /nfs/dbraw/zinc/63/34/90/490633490.db2.gz ZPJLLQQKLAQRAU-VIFPVBQESA-N 0 3 235.374 0.659 20 0 BCADHN CC(C(=O)N[C@@H](C)C1CCC1)S(C)(=O)=O ZINC000131372758 490634341 /nfs/dbraw/zinc/63/43/41/490634341.db2.gz UAVBHTHOKIENIB-JGVFFNPUSA-N 0 3 233.333 0.724 20 0 BCADHN CC(C)OC(=O)C[C@@H](NC(=O)CN)C(C)C ZINC000594453099 491076844 /nfs/dbraw/zinc/07/68/44/491076844.db2.gz GPHZCYNXPDHVAH-SECBINFHSA-N 0 3 230.308 0.428 20 0 BCADHN Cn1cc(NC(=O)C(C)(C)N)cc(Cl)c1=O ZINC000336517690 491061962 /nfs/dbraw/zinc/06/19/62/491061962.db2.gz UFMLBELULLARKK-UHFFFAOYSA-N 0 3 243.694 0.715 20 0 BCADHN C[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1ccncc1 ZINC000650133321 491087986 /nfs/dbraw/zinc/08/79/86/491087986.db2.gz HZDJENVHNFDENV-IEBDPFPHSA-N 0 3 219.288 0.996 20 0 BCADHN C/C=C/C=C/C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366564423 491093884 /nfs/dbraw/zinc/09/38/84/491093884.db2.gz FZUTWPSCNNLEEQ-WIGPCGMCSA-N 0 3 212.268 0.935 20 0 BCADHN CCOCCN1CCN(C[C@H](C)CO)CC1 ZINC000120863899 491100912 /nfs/dbraw/zinc/10/09/12/491100912.db2.gz NDOLEABBYWOHLZ-LBPRGKRZSA-N 0 3 230.352 0.269 20 0 BCADHN CC(C)C(=O)N1CCCN(C[C@@H](C)CO)CC1 ZINC000120820552 491100691 /nfs/dbraw/zinc/10/06/91/491100691.db2.gz NHWRTHMOQMXHRS-GFCCVEGCSA-N 0 3 242.363 0.805 20 0 BCADHN CCOCCN1CCN(C[C@@H](C)CO)CC1 ZINC000120863726 491100994 /nfs/dbraw/zinc/10/09/94/491100994.db2.gz NDOLEABBYWOHLZ-GFCCVEGCSA-N 0 3 230.352 0.269 20 0 BCADHN CN1C[C@@H](N[C@H]2CCCn3nccc32)CCC1=O ZINC000657888221 491103815 /nfs/dbraw/zinc/10/38/15/491103815.db2.gz FUKFLUJTPFNSMY-QWRGUYRKSA-N 0 3 248.330 0.928 20 0 BCADHN COCC[C@@H](C)N1CCN(C(C)(C)CO)CC1 ZINC000088521790 491104074 /nfs/dbraw/zinc/10/40/74/491104074.db2.gz SGFGJWQOYVRQOT-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN Cc1nccc(NCCN2CC[C@H](O)C2)n1 ZINC000624775576 491108647 /nfs/dbraw/zinc/10/86/47/491108647.db2.gz ZSKRSBVLAYFWOU-JTQLQIEISA-N 0 3 222.292 0.264 20 0 BCADHN Cc1nccnc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000668461705 491120540 /nfs/dbraw/zinc/12/05/40/491120540.db2.gz BNLGGYUNBMHHDQ-LLVKDONJSA-N 0 3 248.330 0.857 20 0 BCADHN CC[C@H](N)c1cn([C@@H]2CCC[C@@H]2O)nn1 ZINC000229938886 491121378 /nfs/dbraw/zinc/12/13/78/491121378.db2.gz IGNOVTVAAHRLHD-SFGNSQDASA-N 0 3 210.281 0.774 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N(C)CC(C)C ZINC000065962474 491121671 /nfs/dbraw/zinc/12/16/71/491121671.db2.gz MPQBGSBQAZMYRG-VIFPVBQESA-N 0 3 229.324 0.808 20 0 BCADHN C[C@H]1C[C@H](NCC(=O)NCc2ccco2)CO1 ZINC000647170055 491125285 /nfs/dbraw/zinc/12/52/85/491125285.db2.gz LXGOVDMRMOVWMD-UWVGGRQHSA-N 0 3 238.287 0.663 20 0 BCADHN Cc1noc(C)c1CNC(=O)[C@]1(F)CCNC1 ZINC000153421794 491129477 /nfs/dbraw/zinc/12/94/77/491129477.db2.gz CPMITQAHRZQFGJ-NSHDSACASA-N 0 3 241.266 0.609 20 0 BCADHN CN(Cc1cccc(C(N)=O)c1)CC1CC(O)C1 ZINC000091498721 491130912 /nfs/dbraw/zinc/13/09/12/491130912.db2.gz HYQCAXAREONROV-UHFFFAOYSA-N 0 3 248.326 0.988 20 0 BCADHN C[C@@H](CO)CN1CCSC[C@@H]1CO ZINC000308335187 491135868 /nfs/dbraw/zinc/13/58/68/491135868.db2.gz NPBTVMGATWMFCW-BDAKNGLRSA-N 0 3 205.323 0.025 20 0 BCADHN C[C@H](CO)CN1CCSC[C@H]1CO ZINC000308335189 491135893 /nfs/dbraw/zinc/13/58/93/491135893.db2.gz NPBTVMGATWMFCW-DTWKUNHWSA-N 0 3 205.323 0.025 20 0 BCADHN CC(C)[C@H]1C[C@@H](N[C@H](C)C(N)=O)CS1 ZINC000308674284 491137709 /nfs/dbraw/zinc/13/77/09/491137709.db2.gz VSYXVIHIJKWGCQ-IWSPIJDZSA-N 0 3 216.350 0.980 20 0 BCADHN CC(C)NCc1ccc(S(N)(=O)=O)s1 ZINC000082344225 491144189 /nfs/dbraw/zinc/14/41/89/491144189.db2.gz RPDDINAQGUPHOZ-UHFFFAOYSA-N 0 3 234.346 0.894 20 0 BCADHN OC[C@H](O)CNCc1cc2ccccc2[nH]1 ZINC000309519117 491149862 /nfs/dbraw/zinc/14/98/62/491149862.db2.gz SRXQVWJZUXWNEB-LLVKDONJSA-N 0 3 220.272 0.611 20 0 BCADHN CCN1CCN(C[C@H](O)C(F)(F)F)C[C@@H]1C ZINC000082680339 491152377 /nfs/dbraw/zinc/15/23/77/491152377.db2.gz KVJDYSMQWSOREV-IUCAKERBSA-N 0 3 240.269 0.936 20 0 BCADHN CC[C@]1(NCC(=O)NCC(C)C)CCOC1 ZINC000309855897 491157490 /nfs/dbraw/zinc/15/74/90/491157490.db2.gz KLDNEQSBDDFXDD-LBPRGKRZSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H](C)C(C)(C)O ZINC000083728421 491162858 /nfs/dbraw/zinc/16/28/58/491162858.db2.gz PNCUUSMLTBPUNX-SFYZADRCSA-N 0 3 223.338 0.169 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC000890697897 582508382 /nfs/dbraw/zinc/50/83/82/582508382.db2.gz UFEANFMIVQVMQT-VHSXEESVSA-N 0 3 232.299 0.260 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCO[C@@H](CN(C)C)C1 ZINC000488321018 533721054 /nfs/dbraw/zinc/72/10/54/533721054.db2.gz DQOKXTAXMUOJAF-UTUOFQBUSA-N 0 3 212.337 0.905 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCN2C(=O)CC[C@H]2C1 ZINC000488341913 533721299 /nfs/dbraw/zinc/72/12/99/533721299.db2.gz WDNBIDFWKYHKPV-MXWKQRLJSA-N 0 3 208.305 0.949 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCN2C(=O)OC[C@@H]2C1 ZINC000495956528 533721680 /nfs/dbraw/zinc/72/16/80/533721680.db2.gz FGLBMEHMZCWSSG-BBBLOLIVSA-N 0 3 210.277 0.779 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H](C)C[S@@](C)=O ZINC000501854872 533730194 /nfs/dbraw/zinc/73/01/94/533730194.db2.gz KXXUSAKDOPMCEH-OMQMVUIESA-N 0 3 249.380 0.003 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@H]1CC[C@H](O)C1 ZINC000512422148 533731416 /nfs/dbraw/zinc/73/14/16/533731416.db2.gz PHNHEYFAJKVGTG-DCAQKATOSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)OC[C@@H]1CCCO1 ZINC000495833841 533732441 /nfs/dbraw/zinc/73/24/41/533732441.db2.gz FKIRKORSXBNPPZ-UWVGGRQHSA-N 0 3 230.308 0.842 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891065992 582606478 /nfs/dbraw/zinc/60/64/78/582606478.db2.gz VCPKGUCVBFSRKZ-VXGBXAGGSA-N 0 3 240.347 0.869 20 0 BCADHN CSC[C@H](O)CN1CCC[C@@H](OCCO)C1 ZINC000493262337 533790635 /nfs/dbraw/zinc/79/06/35/533790635.db2.gz VPUDGJDIUGJBOB-GHMZBOCLSA-N 0 3 249.376 0.184 20 0 BCADHN CSC[C@H](O)CN1CCN(C2CCC2)CC1 ZINC000493030995 533793629 /nfs/dbraw/zinc/79/36/29/533793629.db2.gz HTFCMFFOGOBDSB-GFCCVEGCSA-N 0 3 244.404 0.880 20 0 BCADHN CN1CCC[C@@H]1C(=O)NC/C=C\Cl ZINC000891197244 582624123 /nfs/dbraw/zinc/62/41/23/582624123.db2.gz ICKMPFKVXXDTHG-QIUOEGRZSA-N 0 3 202.685 0.949 20 0 BCADHN C[C@@H](CNC(=O)COC(F)F)N(C)C ZINC000505355115 533898346 /nfs/dbraw/zinc/89/83/46/533898346.db2.gz DKZMHZVDHNBEPZ-LURJTMIESA-N 0 3 210.224 0.292 20 0 BCADHN C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ncccc1[O-] ZINC000487550297 533901834 /nfs/dbraw/zinc/90/18/34/533901834.db2.gz JLZVOAFXVWZBNH-VHSXEESVSA-N 0 3 249.314 0.601 20 0 BCADHN C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ncccc1[O-] ZINC000487550297 533901842 /nfs/dbraw/zinc/90/18/42/533901842.db2.gz JLZVOAFXVWZBNH-VHSXEESVSA-N 0 3 249.314 0.601 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCNC(C)(C)C1 ZINC000335627374 535525725 /nfs/dbraw/zinc/52/57/25/535525725.db2.gz QJMIAWIIURFRMZ-GFCCVEGCSA-N 0 3 227.352 0.714 20 0 BCADHN COC(=O)N1CC(N[C@@H](C)[C@]2(C)CCCO2)C1 ZINC000495600801 533932447 /nfs/dbraw/zinc/93/24/47/533932447.db2.gz HTAONUJWQZULRB-CABZTGNLSA-N 0 3 242.319 0.984 20 0 BCADHN COC(=O)N1CC(N[C@@H]2CC[C@@H]2SC)C1 ZINC000496226365 533933594 /nfs/dbraw/zinc/93/35/94/533933594.db2.gz KDFLRRLLDWLNOL-BDAKNGLRSA-N 0 3 230.333 0.921 20 0 BCADHN COC(=O)N1CC(N[C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000496468499 533935018 /nfs/dbraw/zinc/93/50/18/533935018.db2.gz DRXMQQYGZLOHDK-MYJAWHEDSA-N 0 3 242.319 0.983 20 0 BCADHN CCC[C@H](C)CN1CCO[C@H](C(N)=O)C1 ZINC000179940800 535612692 /nfs/dbraw/zinc/61/26/92/535612692.db2.gz ZRDKBXYQBNCWBX-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@@H](CNC(=O)c1ccncn1)N(C)C ZINC000495013935 534048228 /nfs/dbraw/zinc/04/82/28/534048228.db2.gz ASWUCEFOYNIMRD-QMMMGPOBSA-N 0 3 208.265 0.157 20 0 BCADHN C[C@H](O)CCN(C)C[C@H]1CN(C)C(=O)O1 ZINC000496646653 534061800 /nfs/dbraw/zinc/06/18/00/534061800.db2.gz PJBLOJMMNZBKHK-IUCAKERBSA-N 0 3 216.281 0.140 20 0 BCADHN C[C@H](CN1CC[C@@H](CO)[C@@H]1C)CS(C)(=O)=O ZINC000488746560 534070254 /nfs/dbraw/zinc/07/02/54/534070254.db2.gz NFRCUGFIWRBEJE-VWYCJHECSA-N 0 3 249.376 0.370 20 0 BCADHN C[C@H](O)CN1CCCC[C@H]1COC(=O)N(C)C ZINC000495792818 534077213 /nfs/dbraw/zinc/07/72/13/534077213.db2.gz JNZDLTRSUIAPFX-QWRGUYRKSA-N 0 3 244.335 0.920 20 0 BCADHN C[C@H]1C[C@@H](CO)CCN1C[C@H]1CNC(=O)O1 ZINC000495991004 534087097 /nfs/dbraw/zinc/08/70/97/534087097.db2.gz JAFPWJOTPUSKBL-LPEHRKFASA-N 0 3 228.292 0.188 20 0 BCADHN O[C@H]1CCN([C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000891639529 582705011 /nfs/dbraw/zinc/70/50/11/582705011.db2.gz HQTPHXDSVBABRC-DCAQKATOSA-N 0 3 245.294 0.687 20 0 BCADHN C[C@@H]1OCCN(C(=O)/C=C\CN(C)C)[C@H]1C ZINC000493652275 534155900 /nfs/dbraw/zinc/15/59/00/534155900.db2.gz LVVRKISTSLYXKC-OBOPVNRVSA-N 0 3 226.320 0.740 20 0 BCADHN C[C@@H]1CC[C@@H](CNC(=O)/C=C\CN(C)C)O1 ZINC000493575985 534158970 /nfs/dbraw/zinc/15/89/70/534158970.db2.gz BXVVZWJYKYSDFO-KWKBKKAHSA-N 0 3 226.320 0.788 20 0 BCADHN CN(C)CCNC(=O)NC[C@@]1(C)CCOC1 ZINC000342671170 535884632 /nfs/dbraw/zinc/88/46/32/535884632.db2.gz XUBJPWLCSYSQPL-LLVKDONJSA-N 0 3 229.324 0.274 20 0 BCADHN CN(C)CCNC(=O)N[C@H]1CCSC1 ZINC000342663760 535885893 /nfs/dbraw/zinc/88/58/93/535885893.db2.gz KAJAZZCHMDINOU-QMMMGPOBSA-N 0 3 217.338 0.353 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000336041364 535942057 /nfs/dbraw/zinc/94/20/57/535942057.db2.gz KVUNHELKXSTBSP-RYUDHWBXSA-N 0 3 239.363 0.633 20 0 BCADHN Cc1cc(N)nc(NCCn2cccn2)n1 ZINC000891953301 582745051 /nfs/dbraw/zinc/74/50/51/582745051.db2.gz ZKCJVPZKTDIEJM-UHFFFAOYSA-N 0 3 218.264 0.676 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C\c2ccnn2C)[C@@H](C)CN1 ZINC000493142028 534276708 /nfs/dbraw/zinc/27/67/08/534276708.db2.gz UNOOEQGXBSANMV-KWKBKKAHSA-N 0 3 248.330 0.642 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](CC(N)=O)C1CCCCC1 ZINC000491063450 534286514 /nfs/dbraw/zinc/28/65/14/534286514.db2.gz AWXCWNFCLVQYST-PSASIEDQSA-N 0 3 241.335 0.274 20 0 BCADHN CN(CCOC1CCC1)CCC(N)=O ZINC000347128211 517928952 /nfs/dbraw/zinc/92/89/52/517928952.db2.gz HSBKUXZABZVNTD-UHFFFAOYSA-N 0 3 200.282 0.363 20 0 BCADHN C[C@H](CNC(=O)C1(N)CCC1)Cn1cccn1 ZINC000571757722 518182130 /nfs/dbraw/zinc/18/21/30/518182130.db2.gz FHZPIJSCEXCDRI-SNVBAGLBSA-N 0 3 236.319 0.517 20 0 BCADHN NC(=O)NC(=O)CCNCc1cccc(F)c1 ZINC000554603781 518197038 /nfs/dbraw/zinc/19/70/38/518197038.db2.gz BIPZVWHPYLUVFO-UHFFFAOYSA-N 0 3 239.250 0.500 20 0 BCADHN Cc1ccnc(C(=O)NCCN2CCCC2)n1 ZINC000471632314 534383314 /nfs/dbraw/zinc/38/33/14/534383314.db2.gz BHBSOLBZARSJCK-UHFFFAOYSA-N 0 3 234.303 0.611 20 0 BCADHN O[C@H](CNCc1cncc(F)c1)[C@H]1CCOC1 ZINC000494583760 534431334 /nfs/dbraw/zinc/43/13/34/534431334.db2.gz SRYZYLPECXLXCR-CMPLNLGQSA-N 0 3 240.278 0.708 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)/C=C/CN(C)C)n1 ZINC000491687919 534439224 /nfs/dbraw/zinc/43/92/24/534439224.db2.gz YOOBNDMOJVNAAC-HQZHTGGTSA-N 0 3 238.291 0.673 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)N1CCC(F)CC1 ZINC000892183140 582805761 /nfs/dbraw/zinc/80/57/61/582805761.db2.gz CIDQVMBAIMQOEU-JTQLQIEISA-N 0 3 245.298 0.118 20 0 BCADHN Cc1noc([C@H](C)NC(=O)C2(N)CCCC2)n1 ZINC000494866483 534471944 /nfs/dbraw/zinc/47/19/44/534471944.db2.gz UCEDWWBUPIOLOP-ZETCQYMHSA-N 0 3 238.291 0.827 20 0 BCADHN CC(C)(C)NC(=O)CNC1CCC(O)CC1 ZINC000218827649 534700401 /nfs/dbraw/zinc/70/04/01/534700401.db2.gz ZQZSEIRVWPCGRX-UHFFFAOYSA-N 0 3 228.336 0.794 20 0 BCADHN O=C1OCC[C@@H]2CN(C[C@@H]3CCOC3)CCN12 ZINC000494313976 534811437 /nfs/dbraw/zinc/81/14/37/534811437.db2.gz JJDBFDHFICTUQB-WDEREUQCSA-N 0 3 240.303 0.549 20 0 BCADHN O=C1OC[C@@H]2CN(C[C@@H]3CCOC3)CCN12 ZINC000493427777 534817448 /nfs/dbraw/zinc/81/74/48/534817448.db2.gz QZZPEGNYKQLLJG-UWVGGRQHSA-N 0 3 226.276 0.159 20 0 BCADHN O=C1OC[C@@H]2CN(CCC3CC3)CCN12 ZINC000493669835 534817695 /nfs/dbraw/zinc/81/76/95/534817695.db2.gz ISVDROQCKAQNTB-JTQLQIEISA-N 0 3 210.277 0.923 20 0 BCADHN CN1CCN(C[C@H]2CCOC2)C(C)(C)C1=O ZINC000335719014 536415630 /nfs/dbraw/zinc/41/56/30/536415630.db2.gz OYRXSEGRQHRMFN-SNVBAGLBSA-N 0 3 226.320 0.576 20 0 BCADHN CN(Cc1cc[nH]n1)c1ccncc1CO ZINC000892482214 582896464 /nfs/dbraw/zinc/89/64/64/582896464.db2.gz SZFLMEOMBCRHFE-UHFFFAOYSA-N 0 3 218.260 0.933 20 0 BCADHN C[C@@](O)(CNc1ccncc1CO)C1CC1 ZINC000892481580 582896615 /nfs/dbraw/zinc/89/66/15/582896615.db2.gz OBXYCZXRTSZAPH-GFCCVEGCSA-N 0 3 222.288 0.569 20 0 BCADHN Cc1cc(C(=O)N2CCCNCC2)n(C)n1 ZINC000085165494 526245150 /nfs/dbraw/zinc/24/51/50/526245150.db2.gz HYUZICDRISJARC-UHFFFAOYSA-N 0 3 222.292 0.164 20 0 BCADHN C/C=C\C[C@H](CO)NC(=O)/C=C\CN(C)C ZINC000492652690 526325318 /nfs/dbraw/zinc/32/53/18/526325318.db2.gz TWLDIMDAXZAACQ-AKHHSCCWSA-N 0 3 226.320 0.548 20 0 BCADHN CNCC(=O)NC[C@H]1CCC[C@H]1OC ZINC000261528916 536441230 /nfs/dbraw/zinc/44/12/30/536441230.db2.gz WMOJVTUVSFXANT-RKDXNWHRSA-N 0 3 200.282 0.137 20 0 BCADHN CNCC(=O)NC[C@H](C)Oc1ccccc1 ZINC000237236027 536441291 /nfs/dbraw/zinc/44/12/91/536441291.db2.gz UDPGLIWWIQMHES-JTQLQIEISA-N 0 3 222.288 0.790 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N[C@H](C)CC1CC1 ZINC000342754489 536459279 /nfs/dbraw/zinc/45/92/79/536459279.db2.gz RIPPVJPDHBZKQH-PSASIEDQSA-N 0 3 242.319 0.572 20 0 BCADHN CN(Cc1cc[nH]n1)C(=O)[C@@H]1CCCCN1 ZINC000335330524 536462518 /nfs/dbraw/zinc/46/25/18/536462518.db2.gz GNTUGJMQVMKXER-JTQLQIEISA-N 0 3 222.292 0.510 20 0 BCADHN COCCOCCN1CCC[C@@H]1CC(=O)OC ZINC000179149956 536500355 /nfs/dbraw/zinc/50/03/55/536500355.db2.gz LPPYJXBQOYWGDT-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN COCCOCCN(C)CCN(C)C1CC1 ZINC000351946417 536494228 /nfs/dbraw/zinc/49/42/28/536494228.db2.gz BOPNDMNWQCZXNY-UHFFFAOYSA-N 0 3 230.352 0.675 20 0 BCADHN COCCOCCN1CCOC[C@H](C)C1 ZINC000366794914 536501839 /nfs/dbraw/zinc/50/18/39/536501839.db2.gz BLIIAZGFITVUDC-LLVKDONJSA-N 0 3 217.309 0.618 20 0 BCADHN C/C=C/C=C\C(=O)NC[C@]1(O)CCN(C)C1 ZINC000492624502 527605695 /nfs/dbraw/zinc/60/56/95/527605695.db2.gz NQQJYZPRUXSONW-WBOWPWJFSA-N 0 3 224.304 0.302 20 0 BCADHN CC(C)[C@H](O)CN1CCC(F)(F)[C@@H](CO)C1 ZINC000403952909 527730257 /nfs/dbraw/zinc/73/02/57/527730257.db2.gz QVMHPDWXLYRWBU-NXEZZACHSA-N 0 3 237.290 0.953 20 0 BCADHN CCC1(O)CCN(C[C@@H](O)CSC)CC1 ZINC000493235132 527809244 /nfs/dbraw/zinc/80/92/44/527809244.db2.gz HJNFDEADHPNJTB-SNVBAGLBSA-N 0 3 233.377 0.947 20 0 BCADHN CC(C)OC(=O)[C@H](C)NC(=O)/C=C/CN(C)C ZINC000493664594 527860486 /nfs/dbraw/zinc/86/04/86/527860486.db2.gz ZVASHROIFIGTNR-FGEFZZPRSA-N 0 3 242.319 0.561 20 0 BCADHN CCOC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)C ZINC000493870541 527952907 /nfs/dbraw/zinc/95/29/07/527952907.db2.gz NNRRFEUKDATXPI-JARNTUPDSA-N 0 3 242.319 0.514 20 0 BCADHN CCO[C@@H]1C[C@H]1NC(=O)/C=C/CN(C)C ZINC000493317581 527968297 /nfs/dbraw/zinc/96/82/97/527968297.db2.gz GSWVRNNZJLZXTP-GMCFVEKCSA-N 0 3 212.293 0.398 20 0 BCADHN CC(C)O[C@@H]1CCN(C[C@H]2CN(C)C(=O)O2)C1 ZINC000497027813 528057584 /nfs/dbraw/zinc/05/75/84/528057584.db2.gz UJBKHSZWOUWRCF-GHMZBOCLSA-N 0 3 242.319 0.936 20 0 BCADHN CC(C)CO[C@H]1CCN([C@@H]2COC[C@H]2O)C1 ZINC000463103919 528140749 /nfs/dbraw/zinc/14/07/49/528140749.db2.gz JSGGEYNQTKARDJ-QJPTWQEYSA-N 0 3 229.320 0.493 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1CCC(=O)NC1(C)C ZINC000494815409 528222099 /nfs/dbraw/zinc/22/20/99/528222099.db2.gz HHNAZGIKIVRPCK-DTWKUNHWSA-N 0 3 241.335 0.158 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@H]1CC[C@H](O)C1)N(C)C ZINC000476554265 528365169 /nfs/dbraw/zinc/36/51/69/528365169.db2.gz XMBCDRVFKHIGHN-SRVKXCTJSA-N 0 3 242.363 0.850 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@@](O)(CC)C1 ZINC000495206224 528436158 /nfs/dbraw/zinc/43/61/58/528436158.db2.gz VUWDHVPDDWWSJQ-JQWIXIFHSA-N 0 3 228.336 0.748 20 0 BCADHN CCO/C=C/C(=O)N(CCOC)CCN(C)C ZINC000493630055 528457570 /nfs/dbraw/zinc/45/75/70/528457570.db2.gz ZFCYYRCPJLSGHK-UXBLZVDNSA-N 0 3 244.335 0.573 20 0 BCADHN CCCCN1CCC[C@H]1CS(=O)(=O)NC ZINC000494723746 528472314 /nfs/dbraw/zinc/47/23/14/528472314.db2.gz XQAOGTXDFJJLTO-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN CCO/C=C/C(=O)NCCN(C)CCOC ZINC000493530333 528477501 /nfs/dbraw/zinc/47/75/01/528477501.db2.gz UMXGXXPMKLTSSC-WEVVVXLNSA-N 0 3 230.308 0.231 20 0 BCADHN CC(C)C[C@H](CO)N(C)C(=O)/C=C\CN(C)C ZINC000492689857 528534999 /nfs/dbraw/zinc/53/49/99/528534999.db2.gz TZQZOWKVAHECIK-ZHRWSRJISA-N 0 3 242.363 0.970 20 0 BCADHN CC(C)C[C@H](CO)N(C)C[C@@H]1CN(C)C(=O)O1 ZINC000495795855 528541615 /nfs/dbraw/zinc/54/16/15/528541615.db2.gz QTCSEUFWNFDXOD-GHMZBOCLSA-N 0 3 244.335 0.776 20 0 BCADHN CCOCCNC(=O)CN[C@@]1(C)CCO[C@H]1C ZINC000494248400 528765603 /nfs/dbraw/zinc/76/56/03/528765603.db2.gz RHLBWQNQHZECCU-JQWIXIFHSA-N 0 3 244.335 0.296 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCC[C@]1(C)CO ZINC000305120538 528815249 /nfs/dbraw/zinc/81/52/49/528815249.db2.gz MJHXFODLDANYCB-WCQYABFASA-N 0 3 242.363 0.994 20 0 BCADHN CCOC(=O)C[C@H](C)N(C)C[C@@H]1CNC(=O)O1 ZINC000495654315 528893612 /nfs/dbraw/zinc/89/36/12/528893612.db2.gz FDNUGDQAGQNQOJ-IUCAKERBSA-N 0 3 244.291 0.368 20 0 BCADHN CCN(C(=O)/C=C/CN(C)C)[C@H]1CCOC1 ZINC000493837691 528904726 /nfs/dbraw/zinc/90/47/26/528904726.db2.gz PTHNSHIRMYFQGW-QRGHLMKCSA-N 0 3 226.320 0.742 20 0 BCADHN CCOC(=O)N1CC[C@@H](NC(=O)[C@@H](N)CC)C1 ZINC000496349231 529003278 /nfs/dbraw/zinc/00/32/78/529003278.db2.gz UGBBHGVOCRTREZ-BDAKNGLRSA-N 0 3 243.307 0.071 20 0 BCADHN CCN1CCCN(C(=O)/C=C/c2ncc[nH]2)CC1 ZINC000493242868 529016173 /nfs/dbraw/zinc/01/61/73/529016173.db2.gz WATWNXDPXQTKGM-SNAWJCMRSA-N 0 3 248.330 0.977 20 0 BCADHN CCOC[C@H]1CCN(C(=O)/C=C/CN(C)C)C1 ZINC000493067156 529022493 /nfs/dbraw/zinc/02/24/93/529022493.db2.gz AIZARUDFONXOTJ-FYJFLYSWSA-N 0 3 240.347 0.989 20 0 BCADHN CCOC[C@H]1CCN([C@H]2COC[C@H]2O)C1 ZINC000463099836 529031712 /nfs/dbraw/zinc/03/17/12/529031712.db2.gz UTEOCLJUIQOFIV-GARJFASQSA-N 0 3 215.293 0.105 20 0 BCADHN CCN1CCCN(C[C@H]2CN(C)C(=O)O2)CC1 ZINC000497093307 529040872 /nfs/dbraw/zinc/04/08/72/529040872.db2.gz VOONKTVRNPBPMA-LLVKDONJSA-N 0 3 241.335 0.465 20 0 BCADHN CCN(C)C(=O)CN1CCN(C)[C@H](C(C)C)C1 ZINC000487966805 529120194 /nfs/dbraw/zinc/12/01/94/529120194.db2.gz XPTDLVUQCULWMG-LBPRGKRZSA-N 0 3 241.379 0.737 20 0 BCADHN CC[C@@H](O)CN1CCC2(COC(=O)N2)CC1 ZINC000495292493 529226187 /nfs/dbraw/zinc/22/61/87/529226187.db2.gz UYMZGTZMKFUMDG-SECBINFHSA-N 0 3 228.292 0.332 20 0 BCADHN CC[C@@H](O)CN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496275533 529230277 /nfs/dbraw/zinc/23/02/77/529230277.db2.gz NHWXATGKIQKSCD-NXEZZACHSA-N 0 3 230.308 0.530 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@H](C)[C@H](C)CO ZINC000252955538 534964244 /nfs/dbraw/zinc/96/42/44/534964244.db2.gz RHXZWIDGPPCJGS-OUAUKWLOSA-N 0 3 230.352 0.754 20 0 BCADHN CC(C)N(C)CC(=O)N1CC(CCO)C1 ZINC000343010517 534992972 /nfs/dbraw/zinc/99/29/72/534992972.db2.gz CDVMZYUQTZOHBQ-UHFFFAOYSA-N 0 3 214.309 0.167 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@H](C)OC ZINC000223703991 535045394 /nfs/dbraw/zinc/04/53/94/535045394.db2.gz AMGCCGQIIUJYRY-IUCAKERBSA-N 0 3 202.298 0.655 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052009436 535046555 /nfs/dbraw/zinc/04/65/55/535046555.db2.gz WLELNHLULORCFL-AXFHLTTASA-N 0 3 228.336 0.924 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000226688981 535046253 /nfs/dbraw/zinc/04/62/53/535046253.db2.gz WLELNHLULORCFL-HBNTYKKESA-N 0 3 228.336 0.924 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@H](C)C(=O)N(C)CC ZINC000225871417 535048550 /nfs/dbraw/zinc/04/85/50/535048550.db2.gz KABGKGCKAZSFSG-ZJUUUORDSA-N 0 3 243.351 0.487 20 0 BCADHN CCC(CC)N(CCOC)C(=O)[C@H](CN)OC ZINC000227365855 535048791 /nfs/dbraw/zinc/04/87/91/535048791.db2.gz OCVKMKXZJXTWOR-NSHDSACASA-N 0 3 246.351 0.624 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H]1CSCCS1 ZINC000157640220 535056825 /nfs/dbraw/zinc/05/68/25/535056825.db2.gz YDZGGDSNUZITCU-BDAKNGLRSA-N 0 3 248.417 0.935 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H](C)c1ncon1 ZINC000261552805 535057996 /nfs/dbraw/zinc/05/79/96/535057996.db2.gz RUVMTEODPAXQQU-BQBZGAKWSA-N 0 3 212.253 0.230 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000262108769 535060236 /nfs/dbraw/zinc/06/02/36/535060236.db2.gz GIXMPSDZVLIIJH-GUBZILKMSA-N 0 3 241.335 0.130 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCNC(=O)CC1 ZINC000335557985 535060804 /nfs/dbraw/zinc/06/08/04/535060804.db2.gz PWODSYNTWHGOMQ-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN CCCNC(=O)CN1[C@H](C)CN(CC)C[C@H]1C ZINC000347707591 535071261 /nfs/dbraw/zinc/07/12/61/535071261.db2.gz QOCRRQCPYBMSOZ-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN CC1(CNC(=O)C(N)C(F)(F)F)CC1 ZINC000261535157 535147047 /nfs/dbraw/zinc/14/70/47/535147047.db2.gz NWFLNYIKBJXQRF-YFKPBYRVSA-N 0 3 210.199 0.792 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)[C@@H]1CCCCN1 ZINC000159598815 535179145 /nfs/dbraw/zinc/17/91/45/535179145.db2.gz HDZCGOVDRKBODK-MNOVXSKESA-N 0 3 228.336 0.652 20 0 BCADHN CC(C)(N)C(=O)NCC1(CCO)CCCC1 ZINC000262466814 535195468 /nfs/dbraw/zinc/19/54/68/535195468.db2.gz MGGSYXGQFYSRSU-UHFFFAOYSA-N 0 3 228.336 0.783 20 0 BCADHN CC(C)[C@H]1CCN(CC(=O)N2CCOCC2)C1 ZINC000336214793 535197253 /nfs/dbraw/zinc/19/72/53/535197253.db2.gz VZEDGMIDUOEGCD-LBPRGKRZSA-N 0 3 240.347 0.823 20 0 BCADHN CC(C)[C@](C)(O)CNC(=O)C1CCN(C)CC1 ZINC000347753513 535282833 /nfs/dbraw/zinc/28/28/33/535282833.db2.gz LPAZUCYTSQLSGG-CYBMUJFWSA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)(O)CCC(=O)N1CCN2CCC1CC2 ZINC000336104470 535282748 /nfs/dbraw/zinc/28/27/48/535282748.db2.gz MUXLYZKLWDMVES-UHFFFAOYSA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)OCCCNC(=O)CCOC1CNC1 ZINC000348992693 535326074 /nfs/dbraw/zinc/32/60/74/535326074.db2.gz IOJNCLBHBXSHNS-UHFFFAOYSA-N 0 3 244.335 0.296 20 0 BCADHN CCCC(=O)NCC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262797425 535342370 /nfs/dbraw/zinc/34/23/70/535342370.db2.gz NORZJIOXMWFIAA-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2C[C@@]23CCOC3)CCN1 ZINC000335370789 535344596 /nfs/dbraw/zinc/34/45/96/535344596.db2.gz TWPPHXLELKUSBJ-GXFFZTMASA-N 0 3 238.331 0.623 20 0 BCADHN CC[C@@H](C(N)=O)N1CCCC[C@H](COC)C1 ZINC000342583954 535452069 /nfs/dbraw/zinc/45/20/69/535452069.db2.gz LSQQJLJAPFVDIQ-QWRGUYRKSA-N 0 3 228.336 0.999 20 0 BCADHN CCNS(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000173241792 535484067 /nfs/dbraw/zinc/48/40/67/535484067.db2.gz ZIVDXDOHYVJPGR-VHSXEESVSA-N 0 3 249.380 0.113 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)CC(=O)N(C)C ZINC000173703948 535559923 /nfs/dbraw/zinc/55/99/23/535559923.db2.gz CWPLTSVMKAGRQT-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)[C@@H](N)CC(C)C ZINC000158954868 535609325 /nfs/dbraw/zinc/60/93/25/535609325.db2.gz LNRPHJJOTQYUJA-ZJUUUORDSA-N 0 3 244.335 0.675 20 0 BCADHN CCOCCOCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262811383 535646197 /nfs/dbraw/zinc/64/61/97/535646197.db2.gz REALIFYXFMMQAI-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN CCN(C(=O)CCOC1CNC1)C(C)C ZINC000261547078 535661668 /nfs/dbraw/zinc/66/16/68/535661668.db2.gz LTBIHNZJIMTDBY-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN CCOC(=O)CN1[C@H](C)CN(CC)C[C@@H]1C ZINC000347705870 535681814 /nfs/dbraw/zinc/68/18/14/535681814.db2.gz NAKSAWSMQWOSNZ-PHIMTYICSA-N 0 3 228.336 0.964 20 0 BCADHN CCN(CC)[C@H]1CCN(S(=O)(=O)C2CC2)C1 ZINC000173995989 535681299 /nfs/dbraw/zinc/68/12/99/535681299.db2.gz BDBGORLWPYOLNG-JTQLQIEISA-N 0 3 246.376 0.895 20 0 BCADHN CCOC[C@H](C)N[C@@H](C)C[S@](C)=O ZINC000164414204 535690024 /nfs/dbraw/zinc/69/00/24/535690024.db2.gz RVDFVMKNYAJCBU-MWODSPESSA-N 0 3 207.339 0.768 20 0 BCADHN 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20 0 BCADHN COc1ccc(CNCCCOCCO)nc1 ZINC000893479853 583151319 /nfs/dbraw/zinc/15/13/19/583151319.db2.gz WKPNDPABCSVOLG-UHFFFAOYSA-N 0 3 240.303 0.579 20 0 BCADHN CCn1cc(CNCCCOCCO)c(C)n1 ZINC000893479492 583151401 /nfs/dbraw/zinc/15/14/01/583151401.db2.gz QPYFNTWLXGXPLT-UHFFFAOYSA-N 0 3 241.335 0.700 20 0 BCADHN CCN(CCO)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000893870829 583236144 /nfs/dbraw/zinc/23/61/44/583236144.db2.gz CTKDFNNMKPMFOQ-JGVFFNPUSA-N 0 3 237.246 0.355 20 0 BCADHN C[C@@H](CCO)CCNc1ccncc1CO ZINC000894015840 583276084 /nfs/dbraw/zinc/27/60/84/583276084.db2.gz XLBNXTZRQMTHAW-SNVBAGLBSA-N 0 3 224.304 0.816 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)Cc1n[nH]c(C)c1C ZINC000894085286 583295996 /nfs/dbraw/zinc/29/59/96/583295996.db2.gz OELOSGGXTRXRNH-QMMMGPOBSA-N 0 3 238.335 0.840 20 0 BCADHN C[C@H]1CN(c2cc(N)ncc2Cl)CC(=O)N1 ZINC000894072304 583296643 /nfs/dbraw/zinc/29/66/43/583296643.db2.gz OQPYLSUFNASKFF-LURJTMIESA-N 0 3 240.694 0.642 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CNCCCO)C1(F)F ZINC000894145403 583318317 /nfs/dbraw/zinc/31/83/17/583318317.db2.gz CDUSDAYJAVLTBC-RQJHMYQMSA-N 0 3 223.219 0.013 20 0 BCADHN CC12CC(C1)CN2C(=O)[C@@]1(F)CCNC1 ZINC000852931146 588714079 /nfs/dbraw/zinc/71/40/79/588714079.db2.gz UYYSSWVEGMINHT-BOBPJJCASA-N 0 3 212.268 0.699 20 0 BCADHN Cn1cc([C@@H]2N(C(=O)CN)CC2(C)C)cn1 ZINC000852938699 588714148 /nfs/dbraw/zinc/71/41/48/588714148.db2.gz KMRTUBXUIKQOIX-JTQLQIEISA-N 0 3 222.292 0.288 20 0 BCADHN Cn1ccc(CCNC[C@H](O)c2ccccn2)n1 ZINC000853105134 588720539 /nfs/dbraw/zinc/72/05/39/588720539.db2.gz NRDDLRMYGMLXQQ-ZDUSSCGKSA-N 0 3 246.314 0.681 20 0 BCADHN CO[C@H](C)CNC[C@@H](O)c1ccccn1 ZINC000853065278 588718767 /nfs/dbraw/zinc/71/87/67/588718767.db2.gz WPSWDNVVYHBPIW-MWLCHTKSSA-N 0 3 210.277 0.740 20 0 BCADHN COCC(COC)NC[C@H](O)c1ccccn1 ZINC000853106561 588720642 /nfs/dbraw/zinc/72/06/42/588720642.db2.gz BTTPIKAHINEZMO-LBPRGKRZSA-N 0 3 240.303 0.366 20 0 BCADHN O[C@H](CN[C@H]1CCOC1)c1ccccn1 ZINC000853101912 588720177 /nfs/dbraw/zinc/72/01/77/588720177.db2.gz DKBXALKXQCEXDX-GXSJLCMTSA-N 0 3 208.261 0.494 20 0 BCADHN CCN1C[C@H](NC[C@@H](O)c2ccccn2)CC1=O ZINC000853107248 588720840 /nfs/dbraw/zinc/72/08/40/588720840.db2.gz QSIKAILIBWRKES-ZYHUDNBSSA-N 0 3 249.314 0.325 20 0 BCADHN CC(C)(CO)CNC[C@H](O)c1ccccn1 ZINC000853108392 588720998 /nfs/dbraw/zinc/72/09/98/588720998.db2.gz GJOAWOLMFKDLES-NSHDSACASA-N 0 3 224.304 0.723 20 0 BCADHN O[C@@H](CN[C@@H]1CCC[C@H]1O)c1ccccn1 ZINC000853108661 588721031 /nfs/dbraw/zinc/72/10/31/588721031.db2.gz JCIRWKXJPFIQRO-JLLWLGSASA-N 0 3 222.288 0.618 20 0 BCADHN CC[C@H](O)CCNC[C@@H](O)c1ccccn1 ZINC000853108383 588721090 /nfs/dbraw/zinc/72/10/90/588721090.db2.gz GHJVRSGSALDMHA-CMPLNLGQSA-N 0 3 224.304 0.866 20 0 BCADHN O[C@H](CN[C@@H]1C[C@@H](O)C1)c1ccccn1 ZINC000853130568 588721890 /nfs/dbraw/zinc/72/18/90/588721890.db2.gz BZAUUAVPPQKPAU-FXPVBKGRSA-N 0 3 208.261 0.228 20 0 BCADHN CC(C)(C)O[C@H]1C[C@H](NCCS(C)(=O)=O)C1 ZINC000853128310 588721921 /nfs/dbraw/zinc/72/19/21/588721921.db2.gz QAXNUNOSKJRHKQ-MGCOHNPYSA-N 0 3 249.376 0.967 20 0 BCADHN CN(CC1CN(C)C1)CN1CCCC1=O ZINC000853553458 588748621 /nfs/dbraw/zinc/74/86/21/588748621.db2.gz OOSZJACATMXRJZ-UHFFFAOYSA-N 0 3 211.309 0.060 20 0 BCADHN CN1CC[C@@H]2CN(c3cc(F)ncn3)C[C@@H]21 ZINC000853665496 588753951 /nfs/dbraw/zinc/75/39/51/588753951.db2.gz NKJGVXUWSVFAQT-BDAKNGLRSA-N 0 3 222.267 0.756 20 0 BCADHN Cc1cc(N2C[C@@H]3COC[C@]3(C)C2)nc(N)n1 ZINC000853856642 588766063 /nfs/dbraw/zinc/76/60/63/588766063.db2.gz HIANOMWVGBRHAO-SKDRFNHKSA-N 0 3 234.303 0.840 20 0 BCADHN CC[C@@H](O)CC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000854357407 588784766 /nfs/dbraw/zinc/78/47/66/588784766.db2.gz DNIOFAAEFBDAJH-SECBINFHSA-N 0 3 230.308 0.289 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000854358360 588785195 /nfs/dbraw/zinc/78/51/95/588785195.db2.gz VNJSNXZFPNBUJK-URLYPYJESA-N 0 3 240.303 0.021 20 0 BCADHN CC1=NO[C@H](C(=O)N[C@@H](C)CN(C)C)C1 ZINC000854458843 588787863 /nfs/dbraw/zinc/78/78/63/588787863.db2.gz SXRNYKHMAGYAGI-IUCAKERBSA-N 0 3 213.281 0.218 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)C1(F)CCCCC1 ZINC000854465902 588788510 /nfs/dbraw/zinc/78/85/10/588788510.db2.gz UOFIXNOBELJDEX-JTQLQIEISA-N 0 3 246.326 0.698 20 0 BCADHN COC(OC)[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC000854464956 588788612 /nfs/dbraw/zinc/78/86/12/588788612.db2.gz SIWULSRBRQGFIV-MRVPVSSYSA-N 0 3 241.291 0.384 20 0 BCADHN C/C=C/C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000854642352 588798967 /nfs/dbraw/zinc/79/89/67/588798967.db2.gz KQFAXXLYKAKKFH-ONEGZZNKSA-N 0 3 237.347 0.268 20 0 BCADHN CN(C)CCONC(=O)c1nccc2[nH]ccc21 ZINC000854689599 588801780 /nfs/dbraw/zinc/80/17/80/588801780.db2.gz FVBCMHNEUONHAT-UHFFFAOYSA-N 0 3 248.286 0.786 20 0 BCADHN CN(C)CCONC(=O)c1cnc2n1CCC2 ZINC000854691122 588801842 /nfs/dbraw/zinc/80/18/42/588801842.db2.gz WLLPLNDVTJEHRZ-UHFFFAOYSA-N 0 3 238.291 0.052 20 0 BCADHN CC[C@@H](C(=O)N1CCN(OC)CC1)N(C)C ZINC000854859202 588814116 /nfs/dbraw/zinc/81/41/16/588814116.db2.gz DOJKFWORLHLGKA-JTQLQIEISA-N 0 3 229.324 0.032 20 0 BCADHN CN(C)CCONC(=O)c1cc2n(n1)CCC2 ZINC000854945020 588817496 /nfs/dbraw/zinc/81/74/96/588817496.db2.gz GRVMBDMTAJZKNY-UHFFFAOYSA-N 0 3 238.291 0.052 20 0 BCADHN Cc1ccc(C(=O)NOCCN(C)C)nc1 ZINC000854945421 588817813 /nfs/dbraw/zinc/81/78/13/588817813.db2.gz JCLHNJJPZHMYJP-UHFFFAOYSA-N 0 3 223.276 0.613 20 0 BCADHN CC(C)n1nccc1C(=O)NOCCN(C)C ZINC000854945859 588817815 /nfs/dbraw/zinc/81/78/15/588817815.db2.gz SMFUSEWNFDLODA-UHFFFAOYSA-N 0 3 240.307 0.687 20 0 BCADHN CN(C)CCONC(=O)/C=C\C1CCOCC1 ZINC000854945117 588817821 /nfs/dbraw/zinc/81/78/21/588817821.db2.gz BMHPPCHLWYJYGY-ARJAWSKDSA-N 0 3 242.319 0.579 20 0 BCADHN Cc1nc(C(=O)NOCCN(C)C)co1 ZINC000854945918 588817880 /nfs/dbraw/zinc/81/78/80/588817880.db2.gz WEWYKWXMRGJFNX-UHFFFAOYSA-N 0 3 213.237 0.206 20 0 BCADHN CN(C)CCONC(=O)[C@H]1CC12CCOCC2 ZINC000854945809 588818033 /nfs/dbraw/zinc/81/80/33/588818033.db2.gz QOUZUGAJHLIDEA-SNVBAGLBSA-N 0 3 242.319 0.413 20 0 BCADHN CN(C)CCONC(=O)/C=C/[C@H]1CCOC1 ZINC000854947381 588818195 /nfs/dbraw/zinc/81/81/95/588818195.db2.gz UCVBXVCSBKVRCE-FSIBCCDJSA-N 0 3 228.292 0.189 20 0 BCADHN CC1=NO[C@H](C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000854967658 588819095 /nfs/dbraw/zinc/81/90/95/588819095.db2.gz GZXJNOWWLZNPFE-QWRGUYRKSA-N 0 3 239.319 0.704 20 0 BCADHN C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)C ZINC000855009928 588820242 /nfs/dbraw/zinc/82/02/42/588820242.db2.gz DFZLKEVWUOVBJF-ZETCQYMHSA-N 0 3 244.726 0.753 20 0 BCADHN C/C(=C/C(=O)NC[C@H](C)N(C)C)c1cnccn1 ZINC000855009024 588820369 /nfs/dbraw/zinc/82/03/69/588820369.db2.gz HJKDOJQNNGDDCQ-BRNRAETOSA-N 0 3 248.330 0.946 20 0 BCADHN CN(c1ccnc(CO)c1)[C@@H]1CCN(C)C1=O ZINC000858418512 582460232 /nfs/dbraw/zinc/46/02/32/582460232.db2.gz TVLPYNXMWPJSIJ-LLVKDONJSA-N 0 3 235.287 0.241 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1NCC1(C)C)c1ccnn1C ZINC000868026677 582461808 /nfs/dbraw/zinc/46/18/08/582461808.db2.gz PHIGWXPWLINHHV-SCZZXKLOSA-N 0 3 236.319 0.595 20 0 BCADHN C[C@H](NC(=O)[C@H]1NCC1(C)C)c1ccnn1C ZINC000868026679 582461824 /nfs/dbraw/zinc/46/18/24/582461824.db2.gz PHIGWXPWLINHHV-WCBMZHEXSA-N 0 3 236.319 0.595 20 0 BCADHN CCN(C(=O)[C@@H](O)C(C)(C)C)[C@H]1CCN(C)C1 ZINC000855361251 588829064 /nfs/dbraw/zinc/82/90/64/588829064.db2.gz UCQKMBRAVPBRQP-WDEREUQCSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H](O)CCN(C)c1ccnc(CO)c1 ZINC000219850848 582489048 /nfs/dbraw/zinc/48/90/48/582489048.db2.gz MYVZBJHUOLGHPY-SECBINFHSA-N 0 3 210.277 0.781 20 0 BCADHN CCc1nn(C)cc1CNCCCCO ZINC000167870986 582498136 /nfs/dbraw/zinc/49/81/36/582498136.db2.gz BUDVFJSVEDZZJR-UHFFFAOYSA-N 0 3 211.309 0.845 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@@H](O)[C@@H](F)C1)N(C)C ZINC000890693336 582507180 /nfs/dbraw/zinc/50/71/80/582507180.db2.gz BPFIXBQWUWSEGC-HBNTYKKESA-N 0 3 246.326 0.504 20 0 BCADHN C[C@@H](CCNC(=O)[C@H]1CCC(=O)C1)N(C)C ZINC000855417247 588832278 /nfs/dbraw/zinc/83/22/78/588832278.db2.gz FGNLGJTUIWFVDS-UWVGGRQHSA-N 0 3 226.320 0.812 20 0 BCADHN O=C(N[C@H]1C=CCC1)[C@H]1CN2CCN1CCC2 ZINC000855429654 588834618 /nfs/dbraw/zinc/83/46/18/588834618.db2.gz MUXOAOATBRMKNP-NWDGAFQWSA-N 0 3 235.331 0.211 20 0 BCADHN CCNCC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000843492418 582558237 /nfs/dbraw/zinc/55/82/37/582558237.db2.gz ABXVYSSTKDQKFM-LLVKDONJSA-N 0 3 230.352 0.755 20 0 BCADHN CN(C)C[C@H]1NC(=O)N(c2ccccc2)C1=O ZINC000143123104 582564148 /nfs/dbraw/zinc/56/41/48/582564148.db2.gz XUJVHQLKPOJMJZ-SNVBAGLBSA-N 0 3 233.271 0.673 20 0 BCADHN CN1CCC[C@@H]1CN1CCC[C@@]12CCOC2=O ZINC000844322089 582580293 /nfs/dbraw/zinc/58/02/93/582580293.db2.gz JPWBOSOXURLCNP-YPMHNXCESA-N 0 3 238.331 0.862 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC000891045522 582601167 /nfs/dbraw/zinc/60/11/67/582601167.db2.gz HABQPIOKQBBQOT-PWSUYJOCSA-N 0 3 249.314 0.802 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC000891069869 582607046 /nfs/dbraw/zinc/60/70/46/582607046.db2.gz OSYRDPQSZSZUNN-NEPJUHHUSA-N 0 3 240.347 0.868 20 0 BCADHN COCCN(CCF)C(=O)CN(C)C(C)C ZINC000855590888 588840630 /nfs/dbraw/zinc/84/06/30/588840630.db2.gz WPRDCDDDRYVTTA-UHFFFAOYSA-N 0 3 234.315 0.771 20 0 BCADHN CCn1nnnc1NC(=O)C(C)C(F)(F)F ZINC000891338859 582666733 /nfs/dbraw/zinc/66/67/33/582666733.db2.gz CLQCHTPAZSMDJE-BYPYZUCNSA-N 0 3 237.185 0.830 20 0 BCADHN C[C@H]1CO[C@H](C(=O)NC(C)(C)CN(C)C)C1 ZINC000891412038 582680691 /nfs/dbraw/zinc/68/06/91/582680691.db2.gz DROGUQNWHDZUBM-ZJUUUORDSA-N 0 3 228.336 0.868 20 0 BCADHN CCOCCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000891780478 582720612 /nfs/dbraw/zinc/72/06/12/582720612.db2.gz XVMNZMUWEWPWIS-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000891948250 582743066 /nfs/dbraw/zinc/74/30/66/582743066.db2.gz PURGWWFCHSMMCW-GHMZBOCLSA-N 0 3 241.335 0.247 20 0 BCADHN CCO[C@H]1C[C@H](OC(=O)C2CCN(C)C2=O)C1 ZINC000847924231 582745598 /nfs/dbraw/zinc/74/55/98/582745598.db2.gz OCCMLYNMRXUMON-GUBZILKMSA-N 0 3 241.287 0.575 20 0 BCADHN OCc1cnc(N[C@@H]2CCN(C3CC3)C2)cn1 ZINC000892001172 582758019 /nfs/dbraw/zinc/75/80/19/582758019.db2.gz WVJUZLOCBUSYIG-SECBINFHSA-N 0 3 234.303 0.618 20 0 BCADHN C[C@@H](CNc1cnc(CO)cn1)N(C)C ZINC000892027410 582765540 /nfs/dbraw/zinc/76/55/40/582765540.db2.gz DXZVWTAVDUNCSK-QMMMGPOBSA-N 0 3 210.281 0.331 20 0 BCADHN COCCNCCNC(=O)NC[C@@H]1C=CCC1 ZINC000892056534 582778041 /nfs/dbraw/zinc/77/80/41/582778041.db2.gz UDLUJBOGDJCTAK-LLVKDONJSA-N 0 3 241.335 0.488 20 0 BCADHN OCc1cnccc1NC[C@@H](O)C(F)(F)F ZINC000892081239 582787357 /nfs/dbraw/zinc/78/73/57/582787357.db2.gz WVCHTFNVDZQPGE-MRVPVSSYSA-N 0 3 236.193 0.331 20 0 BCADHN CCCCOC(=O)C(C)(C)NC(=O)[C@@H]1C[C@@H]1N ZINC000848436818 582787438 /nfs/dbraw/zinc/78/74/38/582787438.db2.gz FTLQGEMWXIIXDJ-BDAKNGLRSA-N 0 3 242.319 0.572 20 0 BCADHN Cn1cncc1CN[C@@H](CO)CC1CC1 ZINC000393632120 582829641 /nfs/dbraw/zinc/82/96/41/582829641.db2.gz MVPZXTBQGXUYBA-SNVBAGLBSA-N 0 3 209.293 0.671 20 0 BCADHN CCN(CC)CC(=O)NCCN(C)C(=O)OC ZINC000855938759 588854772 /nfs/dbraw/zinc/85/47/72/588854772.db2.gz NPQGQWIMJMAQTF-UHFFFAOYSA-N 0 3 245.323 0.143 20 0 BCADHN CC[C@H](C(=O)NCCN(C)C(=O)OC)N(C)C ZINC000855941003 588854984 /nfs/dbraw/zinc/85/49/84/588854984.db2.gz QSSFKMLKWFJQHY-SECBINFHSA-N 0 3 245.323 0.141 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CC12CC(O)C2 ZINC000888965355 582849289 /nfs/dbraw/zinc/84/92/89/582849289.db2.gz UDFNIDNZTLNMDL-SQLBVSGCSA-N 0 3 226.320 0.358 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CC12CC(O)C2 ZINC000888963280 582857994 /nfs/dbraw/zinc/85/79/94/582857994.db2.gz SQTRUXAUORIMNF-YZRBJQDESA-N 0 3 226.320 0.358 20 0 BCADHN Cc1cc(N)nc(NCCSCCCO)n1 ZINC000892345352 582863356 /nfs/dbraw/zinc/86/33/56/582863356.db2.gz NDLFCTAWJQDKPP-UHFFFAOYSA-N 0 3 242.348 0.895 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H]1CC12CC(O)C2)N(C)C ZINC000888961599 582864333 /nfs/dbraw/zinc/86/43/33/582864333.db2.gz ZZKDWTWXZJYLKJ-ZUXSNHBTSA-N 0 3 240.347 0.602 20 0 BCADHN C[C@H](C1CC1)N1CCc2nn(C)c(=O)cc2C1 ZINC000782183916 582870628 /nfs/dbraw/zinc/87/06/28/582870628.db2.gz AXTYKWPGHOWUIC-SECBINFHSA-N 0 3 233.315 0.937 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N2CCCNCC2)[C@H](C)O1 ZINC000892423997 582883527 /nfs/dbraw/zinc/88/35/27/582883527.db2.gz HAUPLPIFMXUOMT-VWYCJHECSA-N 0 3 241.335 0.557 20 0 BCADHN CC(=O)OC[C@@H](C)NCCNC(=O)C(C)C ZINC000892441575 582887899 /nfs/dbraw/zinc/88/78/99/582887899.db2.gz PAMFMBCWXJHLQQ-SECBINFHSA-N 0 3 230.308 0.300 20 0 BCADHN CCC[C@@H](O)CNc1nc(C)cc(N)n1 ZINC000892501900 582899267 /nfs/dbraw/zinc/89/92/67/582899267.db2.gz HLAZPBQNUWEHLG-MRVPVSSYSA-N 0 3 210.281 0.940 20 0 BCADHN CCC[C@@](C)(O)CNc1ccncc1CO ZINC000892503181 582900014 /nfs/dbraw/zinc/90/00/14/582900014.db2.gz YOQSDQPBOXVPIR-GFCCVEGCSA-N 0 3 224.304 0.959 20 0 BCADHN CC(=O)OC[C@H](C)NCCC(=O)NC(C)C ZINC000892537972 582908195 /nfs/dbraw/zinc/90/81/95/582908195.db2.gz CLLDUBOYFCIEIJ-VIFPVBQESA-N 0 3 230.308 0.442 20 0 BCADHN NC(=O)C1(CNCc2cn[nH]c2)CCCC1 ZINC000393766548 582922725 /nfs/dbraw/zinc/92/27/25/582922725.db2.gz 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ZINC000893707815 583207290 /nfs/dbraw/zinc/20/72/90/583207290.db2.gz YTBXCDNQTZYLHB-ONGXEEELSA-N 0 3 237.303 0.739 20 0 BCADHN C[C@H]1CN(Cc2cc[nH]c(=O)c2)CC[C@@H]1O ZINC000893712726 583210449 /nfs/dbraw/zinc/21/04/49/583210449.db2.gz UNPGKWUJYGIFSX-ONGXEEELSA-N 0 3 222.288 0.990 20 0 BCADHN Cc1[nH]nc(CN2CCC[C@@H](O)C2)c1C ZINC000893871139 583235409 /nfs/dbraw/zinc/23/54/09/583235409.db2.gz GOCVGZGHTAPSEE-SNVBAGLBSA-N 0 3 209.293 0.983 20 0 BCADHN CC[C@@H](CO)NCc1ccc(OC)cn1 ZINC000893876420 583240256 /nfs/dbraw/zinc/24/02/56/583240256.db2.gz WLAITAOKPYMLPV-VIFPVBQESA-N 0 3 210.277 0.951 20 0 BCADHN CC[C@@H](CO)N[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893876920 583240288 /nfs/dbraw/zinc/24/02/88/583240288.db2.gz ZONJHBWAERKTRY-DCAQKATOSA-N 0 3 247.310 0.981 20 0 BCADHN CCO[C@@H]1C[C@@H](NC[C@@H](C)OC)[C@H]1OC ZINC000893910495 583245747 /nfs/dbraw/zinc/24/57/47/583245747.db2.gz HTIRAPYDTSBQAM-GWOFURMSSA-N 0 3 217.309 0.803 20 0 BCADHN Cc1cc(N2CC[C@H]3CN(C)C[C@@H]32)ncn1 ZINC000893933896 583251326 /nfs/dbraw/zinc/25/13/26/583251326.db2.gz DUBICGMDHIAFOD-QWRGUYRKSA-N 0 3 218.304 0.925 20 0 BCADHN CN1C[C@@H]2CCN(c3ncc(F)cn3)[C@@H]2C1 ZINC000893933852 583251943 /nfs/dbraw/zinc/25/19/43/583251943.db2.gz DJRQLTVVOWCSQI-WCBMZHEXSA-N 0 3 222.267 0.756 20 0 BCADHN CN1C[C@H]2CCN(c3cc(F)ncn3)[C@H]2C1 ZINC000893935320 583252277 /nfs/dbraw/zinc/25/22/77/583252277.db2.gz QAFYTUBKNWGWNW-BDAKNGLRSA-N 0 3 222.267 0.756 20 0 BCADHN COCc1nccc(N2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000893934973 583252698 /nfs/dbraw/zinc/25/26/98/583252698.db2.gz MEOITCWSFZFWOB-GHMZBOCLSA-N 0 3 248.330 0.763 20 0 BCADHN COc1nc(C)cc(N2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000893938485 583254092 /nfs/dbraw/zinc/25/40/92/583254092.db2.gz CXURCCYRHSERIE-WDEREUQCSA-N 0 3 248.330 0.934 20 0 BCADHN COc1cc(C)nc(N2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000893940811 583254584 /nfs/dbraw/zinc/25/45/84/583254584.db2.gz QOIQURMJFZJJJH-MNOVXSKESA-N 0 3 248.330 0.934 20 0 BCADHN C[C@H]1C[C@@H](O)CN1C[C@H]1COC(C)(C)O1 ZINC000893949612 583258497 /nfs/dbraw/zinc/25/84/97/583258497.db2.gz SWTUURXEJKIVRV-AEJSXWLSSA-N 0 3 215.293 0.593 20 0 BCADHN Nc1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)c(Cl)cn1 ZINC000893949316 583259374 /nfs/dbraw/zinc/25/93/74/583259374.db2.gz MTXBDFCQEKLXCU-JIGDXULJSA-N 0 3 239.706 0.992 20 0 BCADHN C[C@@H]1C[C@H](O)CN1Cc1c2c(nn1C)CCC2 ZINC000893949781 583259995 /nfs/dbraw/zinc/25/99/95/583259995.db2.gz XNMWDLFCVVLXKD-ZJUUUORDSA-N 0 3 235.331 0.864 20 0 BCADHN COC(=O)[C@@H]1CCN(Cc2c(C)ccnc2N)C1 ZINC000893949987 583260247 /nfs/dbraw/zinc/26/02/47/583260247.db2.gz WBXXSBJFXQRZTH-SNVBAGLBSA-N 0 3 249.314 0.967 20 0 BCADHN CCN(CC(N)=O)CC1CCC(OC)CC1 ZINC000893965157 583262689 /nfs/dbraw/zinc/26/26/89/583262689.db2.gz JZWBRJFDVZFZTH-UHFFFAOYSA-N 0 3 228.336 0.999 20 0 BCADHN CNC(=O)CCN(C)Cc1n[nH]c(C)c1C ZINC000893998037 583268600 /nfs/dbraw/zinc/26/86/00/583268600.db2.gz BHXAUEKFGJFXJA-UHFFFAOYSA-N 0 3 224.308 0.594 20 0 BCADHN COc1ccc(CNCC[C@H](C)O)nc1 ZINC000894030378 583283004 /nfs/dbraw/zinc/28/30/04/583283004.db2.gz SEEZCNYJPGQNPJ-VIFPVBQESA-N 0 3 210.277 0.951 20 0 BCADHN OCc1cnccc1N1CC[C@@](O)(C(F)F)C1 ZINC000894048329 583287820 /nfs/dbraw/zinc/28/78/20/583287820.db2.gz HTUXDNMLZTWGRP-NSHDSACASA-N 0 3 244.241 0.780 20 0 BCADHN Cc1cc(N2CC[C@](O)(C(F)F)C2)nc(N)n1 ZINC000894049069 583288530 /nfs/dbraw/zinc/28/85/30/583288530.db2.gz SHGYITMOOOIDMA-SNVBAGLBSA-N 0 3 244.245 0.574 20 0 BCADHN CCN1C[C@@H](Nc2ccncc2CO)CC1=O ZINC000894069781 583295097 /nfs/dbraw/zinc/29/50/97/583295097.db2.gz FVPMRIBYIZUNEU-JTQLQIEISA-N 0 3 235.287 0.029 20 0 BCADHN O=C(NCc1ccnc(F)c1)[C@@H]1CCCCN1 ZINC000877202588 583303986 /nfs/dbraw/zinc/30/39/86/583303986.db2.gz WPBPUICNIUSZGY-JTQLQIEISA-N 0 3 237.278 0.979 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H](O)C(C)C ZINC000571204358 583312060 /nfs/dbraw/zinc/31/20/60/583312060.db2.gz UJTZWTBSKAXIBU-OPRDCNLKSA-N 0 3 203.282 0.007 20 0 BCADHN O[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC000204239334 583315846 /nfs/dbraw/zinc/31/58/46/583315846.db2.gz WTBCFVLWEBBCMJ-NEPJUHHUSA-N 0 3 207.273 0.614 20 0 BCADHN COCCNC[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894146506 583318026 /nfs/dbraw/zinc/31/80/26/583318026.db2.gz SPOMGXKSQMABFI-RNFRBKRXSA-N 0 3 223.219 0.277 20 0 BCADHN C[C@@H]1CC[C@H](CNc2ccncc2CO)O1 ZINC000894152526 583319244 /nfs/dbraw/zinc/31/92/44/583319244.db2.gz MHKCKLAJLNMBSF-MWLCHTKSSA-N 0 3 222.288 0.975 20 0 BCADHN CC[C@H](CO)NC[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894155546 583319857 /nfs/dbraw/zinc/31/98/57/583319857.db2.gz AFVSRQIUVQDWPF-GJMOJQLCSA-N 0 3 237.246 0.401 20 0 BCADHN Cc1ccnc(N)c1CNC[C@@H]1COCCO1 ZINC000894196939 583335615 /nfs/dbraw/zinc/33/56/15/583335615.db2.gz JDTPJQLPXOFZKE-SNVBAGLBSA-N 0 3 237.303 0.477 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccnc(F)c3)[C@@H]2C1 ZINC000814146963 583342634 /nfs/dbraw/zinc/34/26/34/583342634.db2.gz VTHZWHKPMMZOJZ-GHMZBOCLSA-N 0 3 249.289 0.997 20 0 BCADHN Cn1cc(CN2CC[C@H]3CSC[C@@H]3C2)nn1 ZINC000877737937 583344487 /nfs/dbraw/zinc/34/44/87/583344487.db2.gz JADYKPAOLJRWKP-UWVGGRQHSA-N 0 3 238.360 1.000 20 0 BCADHN Cc1cc(N)nc(N[C@@H]2CCNC(=O)CC2)n1 ZINC000894206121 583347784 /nfs/dbraw/zinc/34/77/84/583347784.db2.gz JUUZHAJHWPYXRQ-QMMMGPOBSA-N 0 3 235.291 0.448 20 0 BCADHN CC(C)[C@@H](O)CCN(C)[C@H]1CCCCNC1=O ZINC000878051011 583359160 /nfs/dbraw/zinc/35/91/60/583359160.db2.gz BCYXRQIYAOFPHP-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN O=C1CCN1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000857237800 588901110 /nfs/dbraw/zinc/90/11/10/588901110.db2.gz UCTIBCPTABSLQE-IJLUTSLNSA-N 0 3 238.331 0.802 20 0 BCADHN O[C@@H]1C[C@H](O)CN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000878156926 583363706 /nfs/dbraw/zinc/36/37/06/583363706.db2.gz YIJHOYIWZIIUAM-WJTVCTBASA-N 0 3 241.331 0.372 20 0 BCADHN CC(C)[C@H]([NH3+])CNC(=O)c1ccc(N)cc1[O-] ZINC000841848976 583364575 /nfs/dbraw/zinc/36/45/75/583364575.db2.gz YVAOJHXWRWPREY-SNVBAGLBSA-N 0 3 237.303 0.688 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C[C@H](O)CC1(O)CCCC1 ZINC000878319732 583369748 /nfs/dbraw/zinc/36/97/48/583369748.db2.gz ZURKCMGCHBQSKO-GRYCIOLGSA-N 0 3 243.347 0.498 20 0 BCADHN CC(C)[C@@H](O)CCN1CC[C@H](n2cncn2)C1 ZINC000878459039 583374906 /nfs/dbraw/zinc/37/49/06/583374906.db2.gz WUGWSHVEXQUDBD-RYUDHWBXSA-N 0 3 238.335 0.932 20 0 BCADHN OC[C@@]12C[C@@H]1CN(CCc1cnccn1)C2 ZINC000878482826 583376887 /nfs/dbraw/zinc/37/68/87/583376887.db2.gz ZIAUNFKFVDMLRB-PWSUYJOCSA-N 0 3 219.288 0.333 20 0 BCADHN CO[C@@H]1CCN(CCc2nnnn2C)[C@@H](C)C1 ZINC000878554745 583382105 /nfs/dbraw/zinc/38/21/05/583382105.db2.gz JDFSCHUKOJTNCR-VHSXEESVSA-N 0 3 239.323 0.252 20 0 BCADHN CC(=O)OC[C@@H](C)NCC1([S@@](C)=O)CCC1 ZINC000894227632 583383742 /nfs/dbraw/zinc/38/37/42/583383742.db2.gz UIVJYWFTYKCDLW-JDNHERCYSA-N 0 3 247.360 0.829 20 0 BCADHN C[C@@H](O)CN(CCO)C[C@H]1CC2(CCC2)CO1 ZINC000878627569 583386971 /nfs/dbraw/zinc/38/69/71/583386971.db2.gz QVOUMQSELZFASM-VXGBXAGGSA-N 0 3 243.347 0.621 20 0 BCADHN C[C@H](NCc1c[nH]cn1)[C@H](C)N1CCOCC1 ZINC000894245821 583389551 /nfs/dbraw/zinc/38/95/51/583389551.db2.gz DZGBAWWWVLDJPI-QWRGUYRKSA-N 0 3 238.335 0.609 20 0 BCADHN C[C@H](NCc1cnc[nH]1)[C@H](C)N1CCOCC1 ZINC000894245821 583389553 /nfs/dbraw/zinc/38/95/53/583389553.db2.gz DZGBAWWWVLDJPI-QWRGUYRKSA-N 0 3 238.335 0.609 20 0 BCADHN Cc1cc(N)nc(N(C)C[C@@H]2CCCN2C)n1 ZINC000894248237 583390726 /nfs/dbraw/zinc/39/07/26/583390726.db2.gz JPFDABCUYQGBBP-JTQLQIEISA-N 0 3 235.335 0.898 20 0 BCADHN O=c1cc(CN2CC[C@](O)(C(F)F)C2)cc[nH]1 ZINC000878669870 583391269 /nfs/dbraw/zinc/39/12/69/583391269.db2.gz MREVLEQDWJKSFJ-LLVKDONJSA-N 0 3 244.241 0.989 20 0 BCADHN Cc1ccnc(N)c1CN[C@@H](CO)C1CC1 ZINC000894270331 583402425 /nfs/dbraw/zinc/40/24/25/583402425.db2.gz VCCLMXWDRYRQRY-NSHDSACASA-N 0 3 221.304 0.833 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN[C@H](CO)C2CC2)C1(F)F ZINC000894273184 583403891 /nfs/dbraw/zinc/40/38/91/583403891.db2.gz HUKHBZQASPINLP-HLTSFMKQSA-N 0 3 249.257 0.401 20 0 BCADHN COC[C@@H](O)CNCc1cnc(F)c(C)c1 ZINC000894276812 583406190 /nfs/dbraw/zinc/40/61/90/583406190.db2.gz BMHBUHXAYZMRHL-JTQLQIEISA-N 0 3 228.267 0.626 20 0 BCADHN CONC(=O)NCCN1CC[C@H](C)C1 ZINC000894278004 583407096 /nfs/dbraw/zinc/40/70/96/583407096.db2.gz QDXYJQAZHGWAFM-QMMMGPOBSA-N 0 3 201.270 0.189 20 0 BCADHN CCC(=O)C1(C(=O)NC2CC(N(C)C)C2)CC1 ZINC000857227304 588896629 /nfs/dbraw/zinc/89/66/29/588896629.db2.gz KDGYIXOGGSCVDX-UHFFFAOYSA-N 0 3 238.331 0.955 20 0 BCADHN CCN(CC)CC(=O)N1CCN(C)[C@H](C)C1 ZINC000747985157 583416628 /nfs/dbraw/zinc/41/66/28/583416628.db2.gz ZQIXYVNXZPDMJJ-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN O=C(NCCCNCc1c[nH]cn1)C1CCC1 ZINC000894325135 583423050 /nfs/dbraw/zinc/42/30/50/583423050.db2.gz DYBFGDQXQLIYDP-UHFFFAOYSA-N 0 3 236.319 0.806 20 0 BCADHN O=C(NCCCNCc1cnc[nH]1)C1CCC1 ZINC000894325135 583423054 /nfs/dbraw/zinc/42/30/54/583423054.db2.gz DYBFGDQXQLIYDP-UHFFFAOYSA-N 0 3 236.319 0.806 20 0 BCADHN CC(C)(C)N1C[C@@H](NCc2cnc[nH]2)CC1=O ZINC000894325884 583423412 /nfs/dbraw/zinc/42/34/12/583423412.db2.gz LULYUFLZRTYGMR-VIFPVBQESA-N 0 3 236.319 0.899 20 0 BCADHN CN(CN1CCC1=O)[C@H]1CCN(C2CC2)C1 ZINC000857232606 588897863 /nfs/dbraw/zinc/89/78/63/588897863.db2.gz GUICBYXIHVCYSM-NSHDSACASA-N 0 3 223.320 0.345 20 0 BCADHN COC(=O)[C@H]1[C@H](CNCC[C@@H](C)O)C1(F)F ZINC000894332284 583425787 /nfs/dbraw/zinc/42/57/87/583425787.db2.gz MZVUDLYMMHHFLD-GJMOJQLCSA-N 0 3 237.246 0.401 20 0 BCADHN CO[C@@H]1CC[C@H](C)N(CCn2cnnn2)C1 ZINC000879326850 583425923 /nfs/dbraw/zinc/42/59/23/583425923.db2.gz TVIFXPCBTXOJSI-VHSXEESVSA-N 0 3 225.296 0.172 20 0 BCADHN COC(=O)[C@H]1[C@@H](CN[C@@H](C)CO)C1(F)F ZINC000894334692 583426671 /nfs/dbraw/zinc/42/66/71/583426671.db2.gz MANLTLZPUMQCPI-RRKCRQDMSA-N 0 3 223.219 0.011 20 0 BCADHN COC(=O)N1CC(N[C@H]2COCC2(C)C)C1 ZINC000894346004 583430964 /nfs/dbraw/zinc/43/09/64/583430964.db2.gz OGVGPMHVQANVGB-VIFPVBQESA-N 0 3 228.292 0.452 20 0 BCADHN Cn1cnc(CCCNc2ccncc2CO)n1 ZINC000894349898 583432352 /nfs/dbraw/zinc/43/23/52/583432352.db2.gz WEDIPYIEYMTPSP-UHFFFAOYSA-N 0 3 247.302 0.169 20 0 BCADHN CCc1[nH]c(CNC[C@H](C)O)cc1C(=O)OC ZINC000894358933 583436791 /nfs/dbraw/zinc/43/67/91/583436791.db2.gz KSGJXAGPCGGGGK-QMMMGPOBSA-N 0 3 240.303 0.834 20 0 BCADHN Cc1cc(N)nc(N[C@@H](CO)CCF)n1 ZINC000894401250 583449645 /nfs/dbraw/zinc/44/96/45/583449645.db2.gz AMZIRTCNROBWPJ-SSDOTTSWSA-N 0 3 214.244 0.500 20 0 BCADHN CC[C@H](C)NC(=S)NCCN(C)CCOC ZINC000726907346 583451808 /nfs/dbraw/zinc/45/18/08/583451808.db2.gz HSKZXKADYUNKTJ-JTQLQIEISA-N 0 3 247.408 0.827 20 0 BCADHN CN(CCC(N)=O)Cc1cccc2[nH]c(=O)oc21 ZINC000894433049 583459223 /nfs/dbraw/zinc/45/92/23/583459223.db2.gz ZWFOXVGNGDPIRL-UHFFFAOYSA-N 0 3 249.270 0.841 20 0 BCADHN CN(C)CCN(C)Cc1cnn(CCF)c1 ZINC000894448414 583461521 /nfs/dbraw/zinc/46/15/21/583461521.db2.gz BRGGUXAWVVOGAW-UHFFFAOYSA-N 0 3 228.315 0.846 20 0 BCADHN C[C@H](CO)N(C)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894464242 583467138 /nfs/dbraw/zinc/46/71/38/583467138.db2.gz MOWBZTTVINAAGU-OUAUKWLOSA-N 0 3 247.310 0.933 20 0 BCADHN COC[C@@H](CCNc1ccncc1CO)OC ZINC000894486596 583471526 /nfs/dbraw/zinc/47/15/26/583471526.db2.gz VSSIYCHFUYIFOD-LLVKDONJSA-N 0 3 240.303 0.459 20 0 BCADHN COCCONC(=O)NCCN1CCC[C@H]1C ZINC000894508851 583474994 /nfs/dbraw/zinc/47/49/94/583474994.db2.gz ORQXXKDOSXOHIF-SNVBAGLBSA-N 0 3 245.323 0.348 20 0 BCADHN CN(C)c1cc(N(C)CC2CN(C)C2)ncn1 ZINC000894541010 583480928 /nfs/dbraw/zinc/48/09/28/583480928.db2.gz RACHGJOXTVDSPA-UHFFFAOYSA-N 0 3 235.335 0.540 20 0 BCADHN Cc1[nH]nc(CN2CC[C@@]3(CNC(=O)C3)C2)c1C ZINC000894592970 583492411 /nfs/dbraw/zinc/49/24/11/583492411.db2.gz NITCEZLRURPWHQ-CYBMUJFWSA-N 0 3 248.330 0.739 20 0 BCADHN CO[C@@]1(C)C[C@H]1Nc1nc(C)cc(N)n1 ZINC000894623819 583496048 /nfs/dbraw/zinc/49/60/48/583496048.db2.gz KMWMWQUEXXAREP-XCBNKYQSSA-N 0 3 208.265 0.957 20 0 BCADHN Cc1ncoc1CN1CC[C@](C)(C(N)=O)C1 ZINC000894635456 583498666 /nfs/dbraw/zinc/49/86/66/583498666.db2.gz HFCLBQDWPFHXOT-NSHDSACASA-N 0 3 223.276 0.680 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000894694605 583509482 /nfs/dbraw/zinc/50/94/82/583509482.db2.gz GGQXQNVGPAFHIP-GWOFURMSSA-N 0 3 223.320 0.740 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000894694609 583509643 /nfs/dbraw/zinc/50/96/43/583509643.db2.gz GGQXQNVGPAFHIP-YTWAJWBKSA-N 0 3 223.320 0.740 20 0 BCADHN COCCN(CCN(C)C)Cc1c[nH]cn1 ZINC000894770253 583517070 /nfs/dbraw/zinc/51/70/70/583517070.db2.gz NPSRBVFUUVSPNS-UHFFFAOYSA-N 0 3 226.324 0.420 20 0 BCADHN COC(=O)[C@H]1[C@@H](CN(C)C[C@@H](C)O)C1(F)F ZINC000894823313 583526115 /nfs/dbraw/zinc/52/61/15/583526115.db2.gz XUFKWKAJWICIHE-BWZBUEFSSA-N 0 3 237.246 0.353 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H]1CC12CC(O)C2 ZINC000894844308 583530480 /nfs/dbraw/zinc/53/04/80/583530480.db2.gz ZTVPNQRWFYCSPM-GWFPEYJASA-N 0 3 241.335 0.149 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC/C=C\Cl ZINC000894846635 583531452 /nfs/dbraw/zinc/53/14/52/583531452.db2.gz SZWNVWMRGFEQEM-LGYSABEFSA-N 0 3 219.716 0.988 20 0 BCADHN c1nc2ccccn2c1CNC[C@H]1COCO1 ZINC000894871237 583539766 /nfs/dbraw/zinc/53/97/66/583539766.db2.gz RRUXDGAPCHOVKJ-NSHDSACASA-N 0 3 233.271 0.797 20 0 BCADHN c1nn2ccccc2c1CNC[C@@H]1COCO1 ZINC000894873315 583540114 /nfs/dbraw/zinc/54/01/14/583540114.db2.gz QMLVKIIMUYJJTA-LLVKDONJSA-N 0 3 233.271 0.797 20 0 BCADHN NC(=O)c1csc(CNC[C@H]2COCO2)c1 ZINC000894877296 583541960 /nfs/dbraw/zinc/54/19/60/583541960.db2.gz YVJFBSZVGWLHPV-QMMMGPOBSA-N 0 3 242.300 0.310 20 0 BCADHN Cc1cc(CNC[C@@H]2COCO2)sn1 ZINC000894878290 583542299 /nfs/dbraw/zinc/54/22/99/583542299.db2.gz HJGYHKWANMEBTD-MRVPVSSYSA-N 0 3 214.290 0.914 20 0 BCADHN C[C@H](O)c1ncc(CNC[C@@H]2COCO2)s1 ZINC000894879621 583542801 /nfs/dbraw/zinc/54/28/01/583542801.db2.gz VLLDNRYUKGQZED-JGVFFNPUSA-N 0 3 244.316 0.659 20 0 BCADHN CCn1nnc(C)c1CNC[C@H]1COCO1 ZINC000894880806 583543438 /nfs/dbraw/zinc/54/34/38/583543438.db2.gz GGAAVVHGOCMQRA-VIFPVBQESA-N 0 3 226.280 0.069 20 0 BCADHN CCn1nnc(C)c1CNC[C@@H]1COCO1 ZINC000894880805 583543810 /nfs/dbraw/zinc/54/38/10/583543810.db2.gz GGAAVVHGOCMQRA-SECBINFHSA-N 0 3 226.280 0.069 20 0 BCADHN CCCNC(=O)CCCN1CC=C[C@@H]1CO ZINC000880492198 583545111 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0.808 20 0 BCADHN CC1(C)[C@@H](NCCC[C@@H]2CCO2)CS1(=O)=O ZINC000895984018 583758748 /nfs/dbraw/zinc/75/87/48/583758748.db2.gz YJYBZVBVWRADCM-ZJUUUORDSA-N 0 3 247.360 0.721 20 0 BCADHN O=c1cc(CN2C[C@@H]3C[C@]3(O)C2)cc[nH]1 ZINC000896021803 583763865 /nfs/dbraw/zinc/76/38/65/583763865.db2.gz OFQRJUOWEAQQKB-ONGXEEELSA-N 0 3 206.245 0.354 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000896115403 583771996 /nfs/dbraw/zinc/77/19/96/583771996.db2.gz DAIJGUQYVAPJLL-TUAOUCFPSA-N 0 3 240.347 0.964 20 0 BCADHN CCO[C@H](CNc1nnc(C)o1)CN(C)C ZINC000896118293 583772147 /nfs/dbraw/zinc/77/21/47/583772147.db2.gz YZKJVKIZZZJQBC-SECBINFHSA-N 0 3 228.296 0.757 20 0 BCADHN CCO[C@H](CNc1nccnc1F)CN(C)C ZINC000896111437 583772797 /nfs/dbraw/zinc/77/27/97/583772797.db2.gz GGDZVUCLVYNUHG-SECBINFHSA-N 0 3 242.298 0.994 20 0 BCADHN Cc1cc(NCC[C@@H]2CNC(=O)C2)nc(N)n1 ZINC000896135805 583775770 /nfs/dbraw/zinc/77/57/70/583775770.db2.gz JYNVEHMHJMWHHV-QMMMGPOBSA-N 0 3 235.291 0.305 20 0 BCADHN Cc1cc(N)nc(NCCO[C@H]2CCOC2)n1 ZINC000896473054 583803023 /nfs/dbraw/zinc/80/30/23/583803023.db2.gz HQYMAYGKRWUZMH-VIFPVBQESA-N 0 3 238.291 0.585 20 0 BCADHN c1ncn(CCNCc2cccc3n[nH]cc32)n1 ZINC000858112580 588933595 /nfs/dbraw/zinc/93/35/95/588933595.db2.gz PWWSSYOLLRQGHV-UHFFFAOYSA-N 0 3 242.286 0.944 20 0 BCADHN CCOCCOCCNC(=O)[C@H](CC)N(C)C ZINC000885749041 588933714 /nfs/dbraw/zinc/93/37/14/588933714.db2.gz MNNSMUJASGLDHS-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN COCCN(C)CCNCc1ccnc(F)c1 ZINC000858121334 588933847 /nfs/dbraw/zinc/93/38/47/588933847.db2.gz CHFBSVNGEWOYKE-UHFFFAOYSA-N 0 3 241.310 0.889 20 0 BCADHN CN1CC[C@@H](c2nc(-c3ccnn3C)no2)C1 ZINC000896858529 583841124 /nfs/dbraw/zinc/84/11/24/583841124.db2.gz SJHUZFXMBDSWCF-MRVPVSSYSA-N 0 3 233.275 0.889 20 0 BCADHN CCO[C@@H](CNCc1ccon1)CN(C)C ZINC000896880223 583845489 /nfs/dbraw/zinc/84/54/89/583845489.db2.gz REGSCHMPWNYURM-NSHDSACASA-N 0 3 227.308 0.731 20 0 BCADHN CO[C@@H]1CCCN(CCCN2CCOC2=O)C1 ZINC000728056230 583847181 /nfs/dbraw/zinc/84/71/81/583847181.db2.gz KOWNMKULRZLCMA-LLVKDONJSA-N 0 3 242.319 0.940 20 0 BCADHN CCO[N-]C(=O)C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000858184848 588937615 /nfs/dbraw/zinc/93/76/15/588937615.db2.gz VOCMOOMTGLHYBN-SNVBAGLBSA-N 0 3 243.351 0.517 20 0 BCADHN Cc1cc(N)nc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC000897071736 583877971 /nfs/dbraw/zinc/87/79/71/583877971.db2.gz KDOHAGPIAXSORQ-BIIVNPBRSA-N 0 3 232.287 0.955 20 0 BCADHN Cn1[nH]cnc1=NCCN1CCC(C)(C)C1 ZINC000897249612 583902433 /nfs/dbraw/zinc/90/24/33/583902433.db2.gz WZXBSDDXPJLVEN-UHFFFAOYSA-N 0 3 223.324 0.381 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@@H]1CCCN1C ZINC000897287936 583910512 /nfs/dbraw/zinc/91/05/12/583910512.db2.gz NOKOBPCFXUYQQI-TUAOUCFPSA-N 0 3 239.363 0.632 20 0 BCADHN CCC[C@H](CNC[C@H](O)c1ccnn1C)OC ZINC000897302493 583912239 /nfs/dbraw/zinc/91/22/39/583912239.db2.gz OVMKELVUVNWDSF-PWSUYJOCSA-N 0 3 241.335 0.858 20 0 BCADHN CO[C@H](CNC[C@H](O)c1ccnn1C)C1CC1 ZINC000897302099 583912260 /nfs/dbraw/zinc/91/22/60/583912260.db2.gz ZKUGRTMLAXTZJA-NWDGAFQWSA-N 0 3 239.319 0.468 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)NCC2=CCN(C)CC2)C1 ZINC000897310624 583914528 /nfs/dbraw/zinc/91/45/28/583914528.db2.gz ZUXAYEGBZNEBPT-CMPLNLGQSA-N 0 3 238.331 0.790 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)C[C@@H]1COC(=O)C1 ZINC000870549947 583922437 /nfs/dbraw/zinc/92/24/37/583922437.db2.gz KPZLUNKCQHOJCY-ZJUUUORDSA-N 0 3 243.303 0.823 20 0 BCADHN OC[C@H]1C[C@H](NCc2ccc(Cl)nn2)C1 ZINC000897354909 583930889 /nfs/dbraw/zinc/93/08/89/583930889.db2.gz AQAFUNNLOMIHJY-XWEPSHTISA-N 0 3 227.695 0.991 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000871013883 583933937 /nfs/dbraw/zinc/93/39/37/583933937.db2.gz QSLQJARXFKEDSX-HBNTYKKESA-N 0 3 226.320 0.655 20 0 BCADHN C[C@@H]1CCCN1C(=S)NCCN(C)C ZINC000751895542 583938475 /nfs/dbraw/zinc/93/84/75/583938475.db2.gz AFMLNJGSFOOKSQ-SECBINFHSA-N 0 3 215.366 0.907 20 0 BCADHN C[C@@H](N[C@@H]1CCOC[C@H]1O)c1ccnn1C ZINC000872140992 583947875 /nfs/dbraw/zinc/94/78/75/583947875.db2.gz HGMFIACMFUNTJG-FXPVBKGRSA-N 0 3 225.292 0.221 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CCO[C@@H](C)C1 ZINC000858319158 588945173 /nfs/dbraw/zinc/94/51/73/588945173.db2.gz CQCYDIHOWQPQFZ-LPEHRKFASA-N 0 3 230.308 0.552 20 0 BCADHN CC(C)OCCCN(C)[C@H]1CCC(=O)NC1=O ZINC000799124158 583957729 /nfs/dbraw/zinc/95/77/29/583957729.db2.gz GDVXRTDIBPKHBQ-JTQLQIEISA-N 0 3 242.319 0.539 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CCO[C@H](C)C1 ZINC000858322615 588945366 /nfs/dbraw/zinc/94/53/66/588945366.db2.gz CQCYDIHOWQPQFZ-BBBLOLIVSA-N 0 3 230.308 0.552 20 0 BCADHN O[C@@H](CNCc1cn[nH]c1)[C@@H]1CCCO1 ZINC000858226301 588938910 /nfs/dbraw/zinc/93/89/10/588938910.db2.gz MIHYGTXVYYGHLI-UWVGGRQHSA-N 0 3 211.265 0.039 20 0 BCADHN O[C@H](CNCc1ccoc1)[C@H]1CCCO1 ZINC000858228434 588939258 /nfs/dbraw/zinc/93/92/58/588939258.db2.gz ZZDSBVZXMSCISD-GHMZBOCLSA-N 0 3 211.261 0.909 20 0 BCADHN COC(OC)C(=O)NCCN1CCC[C@H]1C ZINC000897429882 583973064 /nfs/dbraw/zinc/97/30/64/583973064.db2.gz KOLWDTKDZMWTCE-SECBINFHSA-N 0 3 230.308 0.206 20 0 BCADHN C[C@H]1CCN(CCNC(=O)NCC(C)(C)O)C1 ZINC000897433459 583973771 /nfs/dbraw/zinc/97/37/71/583973771.db2.gz WSDZCBWGFZQLMT-JTQLQIEISA-N 0 3 243.351 0.398 20 0 BCADHN CCON(CC)C(=O)CN[C@@H]1CO[C@@H](C)C1 ZINC000858222976 588939583 /nfs/dbraw/zinc/93/95/83/588939583.db2.gz MDQUSWCWBLJEAQ-UWVGGRQHSA-N 0 3 230.308 0.553 20 0 BCADHN O[C@@H](CNCc1ccoc1)[C@@H]1CCCO1 ZINC000858228436 588939594 /nfs/dbraw/zinc/93/95/94/588939594.db2.gz ZZDSBVZXMSCISD-QWRGUYRKSA-N 0 3 211.261 0.909 20 0 BCADHN CN(C)CC[C@](C)(O)CNC(=O)C1CSC1 ZINC000897439639 583984281 /nfs/dbraw/zinc/98/42/81/583984281.db2.gz BUVHQVIQTNTPJW-NSHDSACASA-N 0 3 246.376 0.168 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)N(C)CCF)C1 ZINC000897460514 583988757 /nfs/dbraw/zinc/98/87/57/583988757.db2.gz TYFBSWHFBVHTPH-SNVBAGLBSA-N 0 3 231.315 0.939 20 0 BCADHN O[C@H]1CCN(CCNCc2ccc(F)nc2)C1 ZINC000858340843 588946937 /nfs/dbraw/zinc/94/69/37/588946937.db2.gz PEWBIIZADPOJPT-NSHDSACASA-N 0 3 239.294 0.377 20 0 BCADHN Cc1ncc(CNCCN2CC[C@H](O)C2)s1 ZINC000858339200 588947245 /nfs/dbraw/zinc/94/72/45/588947245.db2.gz RNDJDHVKJFURIF-JTQLQIEISA-N 0 3 241.360 0.608 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)N1CCCO1 ZINC000897500025 583997635 /nfs/dbraw/zinc/99/76/35/583997635.db2.gz CGOYJKXFSUKGEE-JTQLQIEISA-N 0 3 227.308 0.818 20 0 BCADHN CNC(=O)CCCNc1ccnc(CO)c1 ZINC000858352508 588948050 /nfs/dbraw/zinc/94/80/50/588948050.db2.gz APEZGHNNMRWZLG-UHFFFAOYSA-N 0 3 223.276 0.512 20 0 BCADHN CS(=O)(=O)CCNc1ccnc(CO)c1 ZINC000858357857 588948409 /nfs/dbraw/zinc/94/84/09/588948409.db2.gz XSZRUOLFPSOLJV-UHFFFAOYSA-N 0 3 230.289 0.030 20 0 BCADHN Cn1cc(CNc2ccnc(CO)c2)cn1 ZINC000858361475 588948706 /nfs/dbraw/zinc/94/87/06/588948706.db2.gz RTFMJDYMQSGXFV-UHFFFAOYSA-N 0 3 218.260 0.920 20 0 BCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC1 ZINC000729617543 584019723 /nfs/dbraw/zinc/01/97/23/584019723.db2.gz DGBMIVFHVHAGOP-GHMZBOCLSA-N 0 3 239.319 0.265 20 0 BCADHN C[C@H]1CN(Cc2ccc(=O)[nH]c2)C[C@@H]1O ZINC000897680809 584038039 /nfs/dbraw/zinc/03/80/39/584038039.db2.gz WMSVHHXLXXPVPP-WPRPVWTQSA-N 0 3 208.261 0.600 20 0 BCADHN Cc1nn(C)cc1CN1C[C@H](O)[C@@H](C)C1 ZINC000897680456 584038269 /nfs/dbraw/zinc/03/82/69/584038269.db2.gz JZZYJHZWWVTQPM-KWQFWETISA-N 0 3 209.293 0.541 20 0 BCADHN CCN(CCC(=O)NC)C[C@H]1COC(C)(C)O1 ZINC000897709316 584042414 /nfs/dbraw/zinc/04/24/14/584042414.db2.gz MOJABENRXIDISP-JTQLQIEISA-N 0 3 244.335 0.596 20 0 BCADHN CO[C@@]1(C(=O)N[C@@H](C)CN(C)C)CCSC1 ZINC000897760324 584044463 /nfs/dbraw/zinc/04/44/63/584044463.db2.gz NJTLSCIDBDYMMJ-ONGXEEELSA-N 0 3 246.376 0.575 20 0 BCADHN Cc1cc(CN[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n(C)n1 ZINC000897814653 584047033 /nfs/dbraw/zinc/04/70/33/584047033.db2.gz YDDZAZWSASIAAX-FHUSYTEZSA-N 0 3 233.315 0.994 20 0 BCADHN Cc1ncc(CN[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1C ZINC000897810513 584050477 /nfs/dbraw/zinc/05/04/77/584050477.db2.gz ULYGGSWHCILWTC-FHUSYTEZSA-N 0 3 233.315 0.994 20 0 BCADHN CC(C)N1CC[C@H](Nc2ccnc(CO)c2)C1=O ZINC000858412481 588952516 /nfs/dbraw/zinc/95/25/16/588952516.db2.gz LFDOQNUYOLVNOT-LBPRGKRZSA-N 0 3 249.314 0.995 20 0 BCADHN Cc1ccnc(N)c1CN[C@@H]1CC12CC(O)C2 ZINC000897840863 584053445 /nfs/dbraw/zinc/05/34/45/584053445.db2.gz HLSVPXJWPBKLAS-DMLGSKKGSA-N 0 3 233.315 0.975 20 0 BCADHN Cc1ccnc(N)c1CN[C@H]1CC12CC(O)C2 ZINC000897840864 584053728 /nfs/dbraw/zinc/05/37/28/584053728.db2.gz HLSVPXJWPBKLAS-QDYJBQRPSA-N 0 3 233.315 0.975 20 0 BCADHN Cn1cc(CCCN[C@]2(C)CCNC2=O)cn1 ZINC000897868467 584055137 /nfs/dbraw/zinc/05/51/37/584055137.db2.gz JHXSPTNLGSUKPQ-GFCCVEGCSA-N 0 3 236.319 0.221 20 0 BCADHN C[C@]1(NCc2ccc(=O)[nH]c2)CCNC1=O ZINC000897869223 584055999 /nfs/dbraw/zinc/05/59/99/584055999.db2.gz QFXLAMPZTLPEMD-NSHDSACASA-N 0 3 221.260 0.155 20 0 BCADHN O=C1NC(=O)C2(CN(C[C@H]3CC=CCC3)C2)N1 ZINC000897906352 584059852 /nfs/dbraw/zinc/05/98/52/584059852.db2.gz REKWBXOEABGRMF-VIFPVBQESA-N 0 3 235.287 0.237 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CC[C@H](CCCO)C1 ZINC000897939977 584062646 /nfs/dbraw/zinc/06/26/46/584062646.db2.gz WFEXHGUDDMIZHT-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN NC(=O)Cn1cc(CN[C@@H]2C[C@@H]3CCC[C@H]23)nn1 ZINC000897958228 584066543 /nfs/dbraw/zinc/06/65/43/584066543.db2.gz HZYSBPZZUSSIRL-INTQDDNPSA-N 0 3 249.318 0.042 20 0 BCADHN Cn1cc(CNC2CC(CCO)C2)cn1 ZINC000898007408 584070276 /nfs/dbraw/zinc/07/02/76/584070276.db2.gz FOENLXKXBOCTEC-UHFFFAOYSA-N 0 3 209.293 0.671 20 0 BCADHN Cc1nn(C)cc1CNC1CC(CCO)C1 ZINC000898007569 584070451 /nfs/dbraw/zinc/07/04/51/584070451.db2.gz DDTHNXKTCGVPHL-UHFFFAOYSA-N 0 3 223.320 0.979 20 0 BCADHN NC(=O)C[C@H]1CCCN(c2ccnc(CO)c2)C1 ZINC000858432921 588954458 /nfs/dbraw/zinc/95/44/58/588954458.db2.gz XUNVAAZZHARBDO-SNVBAGLBSA-N 0 3 249.314 0.666 20 0 BCADHN C[C@H]1CO[C@@H](C(=O)NCC2(N(C)C)CC2)C1 ZINC000897989328 584072469 /nfs/dbraw/zinc/07/24/69/584072469.db2.gz JXWOVMQZPIHDFV-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](N[C@@H](CO)c1ccnn1C)C1CC1 ZINC000858434684 588954527 /nfs/dbraw/zinc/95/45/27/588954527.db2.gz MTMGCRMHLLULSR-WPRPVWTQSA-N 0 3 209.293 0.842 20 0 BCADHN COCC[C@H](C)NCc1cn(C)nc1OC ZINC000898025251 584075992 /nfs/dbraw/zinc/07/59/92/584075992.db2.gz CRAQFUDDXKOWGI-VIFPVBQESA-N 0 3 227.308 0.943 20 0 BCADHN Cn1ncnc1CNCCN1CCC(C)(C)C1 ZINC000898034656 584078457 /nfs/dbraw/zinc/07/84/57/584078457.db2.gz USCYNPOIJZAKDG-UHFFFAOYSA-N 0 3 237.351 0.637 20 0 BCADHN Cn1cc(CNCCN2CCC(C)(C)C2)nn1 ZINC000898035366 584079392 /nfs/dbraw/zinc/07/93/92/584079392.db2.gz RFCJSYPXZDHBKP-UHFFFAOYSA-N 0 3 237.351 0.637 20 0 BCADHN CCC[C@]1(CO)CCN([C@H](CC)C(N)=O)C1 ZINC000344167764 584081827 /nfs/dbraw/zinc/08/18/27/584081827.db2.gz NWPGXWGEZHXVIL-PWSUYJOCSA-N 0 3 228.336 0.735 20 0 BCADHN CCn1nncc1CN[C@@H](C)C(C)(C)O ZINC000898119699 584084100 /nfs/dbraw/zinc/08/41/00/584084100.db2.gz HSBXGLKNXVACLO-QMMMGPOBSA-N 0 3 212.297 0.547 20 0 BCADHN OCc1cc(NC2(CO)CCC2)ccn1 ZINC000858451064 588955949 /nfs/dbraw/zinc/95/59/49/588955949.db2.gz QIRNLFYUMPTDMR-UHFFFAOYSA-N 0 3 208.261 0.901 20 0 BCADHN O=S1(=O)CCC[C@@H](NCC[C@@H](O)C2CC2)C1 ZINC000898203557 584090067 /nfs/dbraw/zinc/09/00/67/584090067.db2.gz XEFHBOKDQZJMQR-GHMZBOCLSA-N 0 3 247.360 0.314 20 0 BCADHN OCc1cc(NC[C@@]2(O)CCOC2)ccn1 ZINC000858456177 588956387 /nfs/dbraw/zinc/95/63/87/588956387.db2.gz CUHSJPRWQSCDSG-NSHDSACASA-N 0 3 224.260 0.137 20 0 BCADHN COC[C@H](O)CCNc1ccnc(CO)c1 ZINC000858461417 588957128 /nfs/dbraw/zinc/95/71/28/588957128.db2.gz NDEPKUWOZRLZQM-LLVKDONJSA-N 0 3 226.276 0.383 20 0 BCADHN COC[C@@H](O)CNCc1cnc(C2CC2)nc1 ZINC000898294257 584107895 /nfs/dbraw/zinc/10/78/95/584107895.db2.gz DTHPUEMZGDNWSC-NSHDSACASA-N 0 3 237.303 0.451 20 0 BCADHN COC[C@@H](O)CNCc1cc(C2CC2)nn1C ZINC000898294098 584108153 /nfs/dbraw/zinc/10/81/53/584108153.db2.gz BMRFPWYEOJOVSN-NSHDSACASA-N 0 3 239.319 0.394 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1CCO[C@@H]1C ZINC000120910345 584119749 /nfs/dbraw/zinc/11/97/49/584119749.db2.gz XLWNMXDZOPXBDP-BDAKNGLRSA-N 0 3 221.322 0.188 20 0 BCADHN CC[C@H](O)CN1CCCC[C@H]1C1OCCO1 ZINC000730081789 584122416 /nfs/dbraw/zinc/12/24/16/584122416.db2.gz YPFCFYTXQKTIDS-QWRGUYRKSA-N 0 3 229.320 0.985 20 0 BCADHN CC(C)COC[C@@H](O)CN1CCN(C)[C@@H](C)C1 ZINC000730080780 584123931 /nfs/dbraw/zinc/12/39/31/584123931.db2.gz JUBJGICTCSNIOX-STQMWFEESA-N 0 3 244.379 0.656 20 0 BCADHN CC(C)N1CCN(c2ccnc(CO)c2)CC1=O ZINC000858474941 588958833 /nfs/dbraw/zinc/95/88/33/588958833.db2.gz FRSYOLIPMGJDBU-UHFFFAOYSA-N 0 3 249.314 0.631 20 0 BCADHN Nc1nc(N)nc(NC23CCC(CC2)C3)n1 ZINC000858480060 588959092 /nfs/dbraw/zinc/95/90/92/588959092.db2.gz KESDTPXKBJVXMY-UHFFFAOYSA-N 0 3 220.280 0.781 20 0 BCADHN C[C@@H](C[S@@](C)=O)Nc1ccnc(CO)c1 ZINC000858482959 588959432 /nfs/dbraw/zinc/95/94/32/588959432.db2.gz XZFSCFOHMUIIQW-VXJOIVPMSA-N 0 3 228.317 0.753 20 0 BCADHN Cn1ccc(CCNc2ccnc(CO)c2)n1 ZINC000858483216 588959578 /nfs/dbraw/zinc/95/95/78/588959578.db2.gz CGHXJLXMCCHRTA-UHFFFAOYSA-N 0 3 232.287 0.962 20 0 BCADHN CC1(C)CCN(CCNC(=O)NCCCO)C1 ZINC000898597170 584144429 /nfs/dbraw/zinc/14/44/29/584144429.db2.gz DJJNKNUICSXKAO-UHFFFAOYSA-N 0 3 243.351 0.400 20 0 BCADHN OCc1cc(N2CC(F)(F)C[C@@H]2CO)ccn1 ZINC000858503193 588960949 /nfs/dbraw/zinc/96/09/49/588960949.db2.gz WBRYKRDRORIJJA-SNVBAGLBSA-N 0 3 244.241 0.780 20 0 BCADHN Nc1nc(N)nc(N2CCCC23CCC3)n1 ZINC000858517491 588962376 /nfs/dbraw/zinc/96/23/76/588962376.db2.gz RHWCUZDPMSMVBQ-UHFFFAOYSA-N 0 3 220.280 0.559 20 0 BCADHN C[C@H]1CO[C@@H](C(=O)NC[C@@H]2CCCN2C)C1 ZINC000899149344 584178116 /nfs/dbraw/zinc/17/81/16/584178116.db2.gz RLLGBAJTEXBMSI-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN CCNC(=O)N1CCNCCC12CCOCC2 ZINC000899245043 584186440 /nfs/dbraw/zinc/18/64/40/584186440.db2.gz KEJCLBIJQDIVDU-UHFFFAOYSA-N 0 3 241.335 0.560 20 0 BCADHN CCc1nc(CNc2nc(N)nc(N)n2)co1 ZINC000858563017 588966023 /nfs/dbraw/zinc/96/60/23/588966023.db2.gz OZVPDVIXKDDFQW-UHFFFAOYSA-N 0 3 235.251 0.199 20 0 BCADHN CN1CCC(NC(=S)N2CC[C@@H]2CO)CC1 ZINC000899656857 584223135 /nfs/dbraw/zinc/22/31/35/584223135.db2.gz FZPGLRMZNVRRJD-SNVBAGLBSA-N 0 3 243.376 0.022 20 0 BCADHN OCc1cc(N2CCO[C@H](CF)C2)ccn1 ZINC000858568382 588967209 /nfs/dbraw/zinc/96/72/09/588967209.db2.gz RGPPQGANXWSSBM-LLVKDONJSA-N 0 3 226.251 0.749 20 0 BCADHN CN1CCC(NCc2cn(CC3CC3)nn2)CC1 ZINC000899723943 584229498 /nfs/dbraw/zinc/22/94/98/584229498.db2.gz HBVXTCCGQQXACL-UHFFFAOYSA-N 0 3 249.362 0.872 20 0 BCADHN CN(CCO)CCNC(=O)Cc1cccs1 ZINC000899725679 584230223 /nfs/dbraw/zinc/23/02/23/584230223.db2.gz BXXPWUFISVCPHK-UHFFFAOYSA-N 0 3 242.344 0.331 20 0 BCADHN CC(C)SCC(=O)NCCN(C)CCO ZINC000899729604 584231128 /nfs/dbraw/zinc/23/11/28/584231128.db2.gz LIWKGEZHXSWFHB-UHFFFAOYSA-N 0 3 234.365 0.168 20 0 BCADHN c1c(C2CCC2)nnn1C[C@@H]1CNCCO1 ZINC000899730546 584231193 /nfs/dbraw/zinc/23/11/93/584231193.db2.gz LADFOGDUVQVEEJ-JTQLQIEISA-N 0 3 222.292 0.534 20 0 BCADHN C[C@H](C(=O)NCCN(C)CCO)C1CC1 ZINC000899734838 584231599 /nfs/dbraw/zinc/23/15/99/584231599.db2.gz UMRUYTVNTJKXJE-VIFPVBQESA-N 0 3 214.309 0.073 20 0 BCADHN CCC/C(C)=C\C(=O)NCCN(C)CCO ZINC000899734778 584232077 /nfs/dbraw/zinc/23/20/77/584232077.db2.gz RXKUYKDYFNETIU-KHPPLWFESA-N 0 3 228.336 0.773 20 0 BCADHN CC(C)[C@H]1C[C@H]1C(=O)NCCN(C)CCO ZINC000899737445 584232408 /nfs/dbraw/zinc/23/24/08/584232408.db2.gz JRTFXZVVDGSKHN-GHMZBOCLSA-N 0 3 228.336 0.319 20 0 BCADHN CN(CCO)CCNC(=O)[C@H]1CCC(C)(C)C1 ZINC000899737370 584232541 /nfs/dbraw/zinc/23/25/41/584232541.db2.gz HFEQSVUQTMFLHB-NSHDSACASA-N 0 3 242.363 0.853 20 0 BCADHN CN(CCO)CCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000899738437 584232744 /nfs/dbraw/zinc/23/27/44/584232744.db2.gz ASURAEDRJIPFRP-WOPDTQHZSA-N 0 3 240.347 0.463 20 0 BCADHN CN(CCO)CCNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000899738435 584233106 /nfs/dbraw/zinc/23/31/06/584233106.db2.gz ASURAEDRJIPFRP-SDDRHHMPSA-N 0 3 240.347 0.463 20 0 BCADHN C[C@H]1CCC[C@@H]1CC(=O)NCCN(C)CCO ZINC000899737620 584233240 /nfs/dbraw/zinc/23/32/40/584233240.db2.gz MCOFYCFZPUHRAV-NWDGAFQWSA-N 0 3 242.363 0.853 20 0 BCADHN C[C@H]1CCCC[C@@H]1C(=O)NCCN(C)CCO ZINC000899740732 584233672 /nfs/dbraw/zinc/23/36/72/584233672.db2.gz MYBLHSLCGOPKRN-RYUDHWBXSA-N 0 3 242.363 0.853 20 0 BCADHN C[C@@H]1CC=C(C(=O)NCCN(C)CCO)CC1 ZINC000899739393 584233997 /nfs/dbraw/zinc/23/39/97/584233997.db2.gz WZHMJJVLHCULGF-LLVKDONJSA-N 0 3 240.347 0.773 20 0 BCADHN CC[C@H](C)CCC(=O)NCCN(C)CCO ZINC000899739398 584234129 /nfs/dbraw/zinc/23/41/29/584234129.db2.gz XBFLPCUPPDVBHD-NSHDSACASA-N 0 3 230.352 0.853 20 0 BCADHN C[C@@H]1CCC[C@H](C(=O)NCCN(C)CCO)C1 ZINC000899733554 584234391 /nfs/dbraw/zinc/23/43/91/584234391.db2.gz DAUWGILBDZQACM-NEPJUHHUSA-N 0 3 242.363 0.853 20 0 BCADHN CN(CCO)CCNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000899742131 584234585 /nfs/dbraw/zinc/23/45/85/584234585.db2.gz ZVYPKAZINLYYMO-AAEUAGOBSA-N 0 3 240.347 0.607 20 0 BCADHN Cc1coc(C(=O)NCCN(C)CCO)c1 ZINC000899741854 584234667 /nfs/dbraw/zinc/23/46/67/584234667.db2.gz LYQOPWKSOASIPF-UHFFFAOYSA-N 0 3 226.276 0.242 20 0 BCADHN CN(CCO)CCNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000899741522 584234682 /nfs/dbraw/zinc/23/46/82/584234682.db2.gz FJZVUPJEZZQJPI-RYUDHWBXSA-N 0 3 240.347 0.463 20 0 BCADHN CN(CCO)CCNC(=O)C1CCCCCC1 ZINC000899732620 584235037 /nfs/dbraw/zinc/23/50/37/584235037.db2.gz LBGNNFVKPQUKKW-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN C[C@H]1CC/C(=C\C(=O)NCCN(C)CCO)C1 ZINC000899734334 584235603 /nfs/dbraw/zinc/23/56/03/584235603.db2.gz APQKMDDFKQUUNS-OCUQMRJBSA-N 0 3 240.347 0.773 20 0 BCADHN CSCCCCC(=O)NCCN(C)CCO ZINC000899734121 584235615 /nfs/dbraw/zinc/23/56/15/584235615.db2.gz VSWMBOVLHCERIK-UHFFFAOYSA-N 0 3 248.392 0.560 20 0 BCADHN Cc1cscc1C(=O)NCCN(C)CCO ZINC000899734407 584235777 /nfs/dbraw/zinc/23/57/77/584235777.db2.gz DYTJZPWDAUCJDF-UHFFFAOYSA-N 0 3 242.344 0.710 20 0 BCADHN COC[C@@H](N[C@@H](C)C(=O)N(C)OC)C(C)C ZINC000858580370 588968615 /nfs/dbraw/zinc/96/86/15/588968615.db2.gz YTVJPEZEEKEGPK-VHSXEESVSA-N 0 3 232.324 0.655 20 0 BCADHN CC(C)C1CN(C[C@@H](O)C2(O)CCOCC2)C1 ZINC000899882991 584246612 /nfs/dbraw/zinc/24/66/12/584246612.db2.gz DVGVMACTAVUJME-GFCCVEGCSA-N 0 3 243.347 0.477 20 0 BCADHN O[C@H](CN1CC([C@@H]2CCOC2)C1)C1(O)CCC1 ZINC000899884099 584246738 /nfs/dbraw/zinc/24/67/38/584246738.db2.gz XERVXEUVWIMOBB-ZYHUDNBSSA-N 0 3 241.331 0.231 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@@H](C)C(=O)N(C)OC ZINC000858580265 588968711 /nfs/dbraw/zinc/96/87/11/588968711.db2.gz XXDVPKQTRSEABX-CIUDSAMLSA-N 0 3 218.297 0.408 20 0 BCADHN CC[C@@H](C)NC(=O)C[C@]1(O)CCCN(C)C1 ZINC000899904152 584250911 /nfs/dbraw/zinc/25/09/11/584250911.db2.gz HCYMYWADIUCQBO-ZYHUDNBSSA-N 0 3 228.336 0.748 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H](C)[C@@H]1CCCCO1 ZINC000858580554 588968942 /nfs/dbraw/zinc/96/89/42/588968942.db2.gz RDPGQIHGZVJPJQ-VWYCJHECSA-N 0 3 244.335 0.942 20 0 BCADHN CON(C)C(=O)[C@H](C)NC1CC(C)C1 ZINC000858580837 588968949 /nfs/dbraw/zinc/96/89/49/588968949.db2.gz XVUJRUMFPLHCGQ-MGURRDGZSA-N 0 3 200.282 0.783 20 0 BCADHN Cc1ncc(C(=O)NCCN(C)C)n1C ZINC000899920601 584255128 /nfs/dbraw/zinc/25/51/28/584255128.db2.gz PVYRWTXHFGMPSN-UHFFFAOYSA-N 0 3 210.281 0.020 20 0 BCADHN COC(=O)CNC(=O)[C@H]1CC[C@H]2CCCCN21 ZINC000899934995 584258040 /nfs/dbraw/zinc/25/80/40/584258040.db2.gz GJPCKOOVFGPIOG-NXEZZACHSA-N 0 3 240.303 0.293 20 0 BCADHN CN(CC(=O)N1CCCN(C)CC1)C1CCC1 ZINC000899936421 584258624 /nfs/dbraw/zinc/25/86/24/584258624.db2.gz VDKNFRDIMCUPFN-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@H](C)C(=O)N(C)OC ZINC000858587899 588969613 /nfs/dbraw/zinc/96/96/13/588969613.db2.gz XXDVPKQTRSEABX-YIZRAAEISA-N 0 3 218.297 0.408 20 0 BCADHN CCOC1CC(N[C@H](C)C(=O)N(C)OC)C1 ZINC000858586916 588969751 /nfs/dbraw/zinc/96/97/51/588969751.db2.gz ICBIOBNWZBKHIC-XNWIYYODSA-N 0 3 230.308 0.552 20 0 BCADHN O=C(Nc1ccncc1)C12CCN(CC1)C2 ZINC000900012302 584263378 /nfs/dbraw/zinc/26/33/78/584263378.db2.gz CSPGJFBPYGFPAN-UHFFFAOYSA-N 0 3 217.272 0.538 20 0 BCADHN CC[C@@H](O)[C@H](C)C(=O)NC1CCN(C)CC1 ZINC000900002261 584263765 /nfs/dbraw/zinc/26/37/65/584263765.db2.gz OWTRMQQYDBXPOW-GXSJLCMTSA-N 0 3 228.336 0.604 20 0 BCADHN C/C=C/[C@H](O)C(=O)NCCN1CCCC1 ZINC000900011214 584265826 /nfs/dbraw/zinc/26/58/26/584265826.db2.gz OIXFYAUDNGCCKW-FWYAXHSGSA-N 0 3 212.293 0.135 20 0 BCADHN CC1(C)C[NH2+]C[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000900022004 584267222 /nfs/dbraw/zinc/26/72/22/584267222.db2.gz PAXNPGSLEHPXRL-MRVPVSSYSA-N 0 3 232.291 0.136 20 0 BCADHN C[C@H](CCO)N[C@@H]1CCN(C2CCC2)C1=O ZINC000858603249 588970424 /nfs/dbraw/zinc/97/04/24/588970424.db2.gz VGUJRAWEDHVCQQ-MWLCHTKSSA-N 0 3 226.320 0.500 20 0 BCADHN CN1CCC[C@@](O)(CC(=O)NCC2CC2)C1 ZINC000900082052 584272449 /nfs/dbraw/zinc/27/24/49/584272449.db2.gz IJRLVAOZDSHNIF-GFCCVEGCSA-N 0 3 226.320 0.359 20 0 BCADHN CC[C@@H]1CN(C(=O)C23CCN(CC2)C3)CCO1 ZINC000900107337 584276714 /nfs/dbraw/zinc/27/67/14/584276714.db2.gz LBVGOVKRBMBXQU-LLVKDONJSA-N 0 3 238.331 0.720 20 0 BCADHN C[C@@H]1COCCN1C(=O)C12CCN(CC1)C2 ZINC000900161042 584281100 /nfs/dbraw/zinc/28/11/00/584281100.db2.gz QJMMCYRGJRFTBU-SNVBAGLBSA-N 0 3 224.304 0.330 20 0 BCADHN CCC/C=C/[C@H](O)C(=O)NC[C@H](C)N(C)C ZINC000900162685 584281149 /nfs/dbraw/zinc/28/11/49/584281149.db2.gz IBJMEEJTDRGICJ-IJUHFESZSA-N 0 3 228.336 0.770 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)NC[C@@H](C)N(C)C ZINC000900164285 584281862 /nfs/dbraw/zinc/28/18/62/584281862.db2.gz YGXJCQKCTHEKCH-UTLUCORTSA-N 0 3 216.325 0.460 20 0 BCADHN CN(C(=O)C[C@]1(O)CCCN(C)C1)C1CC1 ZINC000900170524 584282508 /nfs/dbraw/zinc/28/25/08/584282508.db2.gz MHXKLDODZBQRCK-GFCCVEGCSA-N 0 3 226.320 0.454 20 0 BCADHN CN(C)C[C@H]1NC(=O)N(C/C=C\Cl)C1=O ZINC000900182645 584283569 /nfs/dbraw/zinc/28/35/69/584283569.db2.gz CCDOWANNHOSBBP-KFOINNEUSA-N 0 3 231.683 0.221 20 0 BCADHN CN1CCC[C@@](O)(CC(=O)NCC2CCC2)C1 ZINC000900176542 584285218 /nfs/dbraw/zinc/28/52/18/584285218.db2.gz BIIKXWZHMGXZTJ-CYBMUJFWSA-N 0 3 240.347 0.750 20 0 BCADHN C/C=C/[C@@H](O)C(=O)NCCN1CCC(C)CC1 ZINC000900204656 584285955 /nfs/dbraw/zinc/28/59/55/584285955.db2.gz MXAFVGNJPWTZCP-AAOUONPWSA-N 0 3 240.347 0.772 20 0 BCADHN C/C=C\[C@@H](O)C(=O)NCCN1CCCCC1 ZINC000900206898 584286058 /nfs/dbraw/zinc/28/60/58/584286058.db2.gz DPNIDRAQEMWCOE-WPPTZLTKSA-N 0 3 226.320 0.526 20 0 BCADHN Nc1nc(N)nc(N[C@@H]2COC3(CCC3)C2)n1 ZINC000858626103 588971823 /nfs/dbraw/zinc/97/18/23/588971823.db2.gz OWNARNHZMIBVHL-LURJTMIESA-N 0 3 236.279 0.160 20 0 BCADHN C[C@@H]1CN(c2nccnc2F)C[C@H](C)N1 ZINC000858631434 588972465 /nfs/dbraw/zinc/97/24/65/588972465.db2.gz DOFXMAKZQGHCGQ-OCAPTIKFSA-N 0 3 210.256 0.802 20 0 BCADHN CCC/C=C/[C@H](O)C(=O)NCCN(C)C1CC1 ZINC000900368023 584297745 /nfs/dbraw/zinc/29/77/45/584297745.db2.gz YOLFLRBPWMFQHS-FYJFLYSWSA-N 0 3 240.347 0.914 20 0 BCADHN O=C(N1CCN(C2CC2)CC1)C12CCN(CC1)C2 ZINC000900405087 584303638 /nfs/dbraw/zinc/30/36/38/584303638.db2.gz QWVLHPNCWZSMJX-UHFFFAOYSA-N 0 3 249.358 0.389 20 0 BCADHN CCn1ncc(CNc2cc(C)nc(N)n2)n1 ZINC000858651508 588973367 /nfs/dbraw/zinc/97/33/67/588973367.db2.gz NPFZNPJBNDSRHQ-UHFFFAOYSA-N 0 3 233.279 0.591 20 0 BCADHN O=C(N1CCCOCC1)C12CCN(CC1)C2 ZINC000900431400 584308830 /nfs/dbraw/zinc/30/88/30/584308830.db2.gz ZJLOIBDGVMSWIE-UHFFFAOYSA-N 0 3 224.304 0.331 20 0 BCADHN O=C(Nc1cnoc1)C12CCN(CC1)C2 ZINC000900474140 584317437 /nfs/dbraw/zinc/31/74/37/584317437.db2.gz MHQJDTKKYIAQEI-UHFFFAOYSA-N 0 3 207.233 0.709 20 0 BCADHN O=C(Nc1ccccn1)N1CCNCCNCC1 ZINC000900476477 584317865 /nfs/dbraw/zinc/31/78/65/584317865.db2.gz ZXERWUNMXFIOIE-UHFFFAOYSA-N 0 3 249.318 0.108 20 0 BCADHN O=C(Nc1c[nH]ccc1=O)C12CCN(CC1)C2 ZINC000900523681 584318589 /nfs/dbraw/zinc/31/85/89/584318589.db2.gz DSSBRYVAAJXEJN-UHFFFAOYSA-N 0 3 233.271 0.409 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000900525868 584318925 /nfs/dbraw/zinc/31/89/25/584318925.db2.gz AJFJRRSEXFIKHO-TUAOUCFPSA-N 0 3 242.363 0.946 20 0 BCADHN C/C=C/[C@H](O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000900520200 584321118 /nfs/dbraw/zinc/32/11/18/584321118.db2.gz OIQWZBACKINAQZ-HKJRJLCPSA-N 0 3 238.331 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/nfs/dbraw/zinc/64/76/77/584647677.db2.gz RDCXUAQXJGJTFD-WCBMZHEXSA-N 0 3 228.267 0.360 20 0 BCADHN O=C(CO)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000902699528 584654649 /nfs/dbraw/zinc/65/46/49/584654649.db2.gz OCERZDAOOKHXBO-GFCCVEGCSA-N 0 3 246.310 0.990 20 0 BCADHN Nc1cnccc1CN[C@H]1CC12CC(O)C2 ZINC000902685150 584656047 /nfs/dbraw/zinc/65/60/47/584656047.db2.gz DXGNTZKPWHUMDH-ZYXZCXLHSA-N 0 3 219.288 0.667 20 0 BCADHN CN1CCC(NC(=O)OC2COC2)CC1 ZINC000902786034 584667088 /nfs/dbraw/zinc/66/70/88/584667088.db2.gz ARXINYYXHVTRDV-UHFFFAOYSA-N 0 3 214.265 0.206 20 0 BCADHN O=C(NC1CCN(C2CC2)CC1)OC1COC1 ZINC000902790065 584672930 /nfs/dbraw/zinc/67/29/30/584672930.db2.gz DFJBEQSOAMDZMO-UHFFFAOYSA-N 0 3 240.303 0.738 20 0 BCADHN C[C@@H](CN1CCCCC1)NC(=O)OC1COC1 ZINC000902797286 584674505 /nfs/dbraw/zinc/67/45/05/584674505.db2.gz BPLFDDHFTVXYHR-JTQLQIEISA-N 0 3 242.319 0.986 20 0 BCADHN C[C@@H](CNC(=O)OC1COC1)N1CCCC1 ZINC000902798525 584674716 /nfs/dbraw/zinc/67/47/16/584674716.db2.gz VRSWZABZDAYTBB-VIFPVBQESA-N 0 3 228.292 0.596 20 0 BCADHN O=C(N[C@H]1CCN(CC2CC2)C1)OC1COC1 ZINC000902852256 584678418 /nfs/dbraw/zinc/67/84/18/584678418.db2.gz OWSMMEIMFJMBMR-JTQLQIEISA-N 0 3 240.303 0.596 20 0 BCADHN C[C@H]1C[C@H](NC(=O)OC2COC2)CCN1C ZINC000902876087 584687113 /nfs/dbraw/zinc/68/71/13/584687113.db2.gz MRGVMWQIFUMGDI-DTWKUNHWSA-N 0 3 228.292 0.594 20 0 BCADHN O=C(CCO)N1CCN(C2CCCCC2)CC1 ZINC000902904323 584693967 /nfs/dbraw/zinc/69/39/67/584693967.db2.gz DVAYPFIAKQEUIZ-UHFFFAOYSA-N 0 3 240.347 0.846 20 0 BCADHN CN(C)CCN(C(=O)OC1COC1)C1CC1 ZINC000902923990 584697149 /nfs/dbraw/zinc/69/71/49/584697149.db2.gz XCNSQVKNYZQGDB-UHFFFAOYSA-N 0 3 228.292 0.548 20 0 BCADHN CN(C)C1(CN(C)C(=O)OC2COC2)CCC1 ZINC000902924486 584697375 /nfs/dbraw/zinc/69/73/75/584697375.db2.gz MPIXRZNXSFFFEP-UHFFFAOYSA-N 0 3 242.319 0.938 20 0 BCADHN C[C@@H]1[C@H](NC(=O)Nc2ccncc2)CCN1C ZINC000902929287 584698186 /nfs/dbraw/zinc/69/81/86/584698186.db2.gz RYJUEYVSKARMHR-MWLCHTKSSA-N 0 3 234.303 0.718 20 0 BCADHN CCCOC(=O)NCCN1CCN(CC)CC1 ZINC000859121075 589005386 /nfs/dbraw/zinc/00/53/86/589005386.db2.gz RUFXPEPLXZTWBD-UHFFFAOYSA-N 0 3 243.351 0.760 20 0 BCADHN CC(C)(C)N1CC[C@H]1CNC(=O)CCO ZINC000902953186 584704586 /nfs/dbraw/zinc/70/45/86/584704586.db2.gz QTRQSJQXNXBCAV-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN CC(=O)NCCCN1C[C@@H]2C[C@H]1CS2 ZINC000902977992 584708043 /nfs/dbraw/zinc/70/80/43/584708043.db2.gz SMFKKOUDMXJHGB-UWVGGRQHSA-N 0 3 214.334 0.702 20 0 BCADHN CCO[C@H](CNC(=O)OC1COC1)CN(C)C ZINC000902971987 584712764 /nfs/dbraw/zinc/71/27/64/584712764.db2.gz KISZOMINJQMFAX-SECBINFHSA-N 0 3 246.307 0.078 20 0 BCADHN CC[C@H](C)N1CCN(CCCNC(C)=O)CC1 ZINC000902974694 584712964 /nfs/dbraw/zinc/71/29/64/584712964.db2.gz RJZFKMDOHODRDC-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCO[C@]12CCOC2 ZINC000903057478 584722484 /nfs/dbraw/zinc/72/24/84/584722484.db2.gz HWSCLSRUWHPWJY-PWSUYJOCSA-N 0 3 242.319 0.050 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1CCO[C@@]12CCOC2 ZINC000903058631 584722573 /nfs/dbraw/zinc/72/25/73/584722573.db2.gz IXFKLPPCCXHQFS-JBLDHEPKSA-N 0 3 242.319 0.049 20 0 BCADHN Cn1nccc1CN[C@H]1CCO[C@]12CCOC2 ZINC000903064967 584722825 /nfs/dbraw/zinc/72/28/25/584722825.db2.gz FOKXCFGYGHDNQY-RYUDHWBXSA-N 0 3 237.303 0.458 20 0 BCADHN Cn1cc(CN[C@@H]2CCO[C@@]23CCOC3)cn1 ZINC000903076869 584724517 /nfs/dbraw/zinc/72/45/17/584724517.db2.gz VHRNOTLOIAQWTD-VXGBXAGGSA-N 0 3 237.303 0.458 20 0 BCADHN CO[C@@H]1CCC[C@H]1NC[C@H](O)c1cnn(C)c1 ZINC000903104556 584727913 /nfs/dbraw/zinc/72/79/13/584727913.db2.gz VSHGPNJUFGVVFQ-GRYCIOLGSA-N 0 3 239.319 0.611 20 0 BCADHN CO[C@@H]1CCC[C@@H]1NC[C@@H](O)c1ccnn1C ZINC000903225088 584735874 /nfs/dbraw/zinc/73/58/74/584735874.db2.gz COWOAOKSOBIOEG-MVWJERBFSA-N 0 3 239.319 0.611 20 0 BCADHN CO[C@@H]1CCC[C@@H]1NC[C@H](O)c1ccnn1C ZINC000903225090 584735959 /nfs/dbraw/zinc/73/59/59/584735959.db2.gz COWOAOKSOBIOEG-ZMLRMANQSA-N 0 3 239.319 0.611 20 0 BCADHN CO[C@H]1CCC[C@@H]1NC1CN(c2ccncn2)C1 ZINC000903211579 584736744 /nfs/dbraw/zinc/73/67/44/584736744.db2.gz HJAUBWKLBDXXSY-RYUDHWBXSA-N 0 3 248.330 0.822 20 0 BCADHN C[C@H](NCCCc1nnnn1C)c1ccnn1C ZINC000903349099 584753452 /nfs/dbraw/zinc/75/34/52/584753452.db2.gz QHKYYDCHHPIODK-VIFPVBQESA-N 0 3 249.322 0.227 20 0 BCADHN CCN1CCC[C@H](N[C@@H]2CN(C)C[C@H]2C)C1=O ZINC000903392608 584756118 /nfs/dbraw/zinc/75/61/18/584756118.db2.gz VHYVSPGBAPNVFH-GRYCIOLGSA-N 0 3 239.363 0.537 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000903440552 584763370 /nfs/dbraw/zinc/76/33/70/584763370.db2.gz QAMFBPGGTGOGGT-RLCGTCKNSA-N 0 3 234.299 0.498 20 0 BCADHN COC(=O)[C@H]1CNCCCN1CCOC1CC1 ZINC000903452502 584772326 /nfs/dbraw/zinc/77/23/26/584772326.db2.gz NVVMVBSCHZPPLX-LLVKDONJSA-N 0 3 242.319 0.002 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-]CC2([NH3+])CC2)s1 ZINC000903524490 584781317 /nfs/dbraw/zinc/78/13/17/584781317.db2.gz PFRPAOPZGNCAMA-UHFFFAOYSA-N 0 3 247.345 0.221 20 0 BCADHN [NH3+]C1(C[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000903523747 584781452 /nfs/dbraw/zinc/78/14/52/584781452.db2.gz ODBBIOKHDQIIMK-UHFFFAOYSA-N 0 3 244.291 0.595 20 0 BCADHN O=S(=O)(N[C@@H]1C[C@H]2CCC[C@@H]21)C1CNC1 ZINC000903555670 584783078 /nfs/dbraw/zinc/78/30/78/584783078.db2.gz WZXKKTZHVZZECZ-FKTZTGRPSA-N 0 3 230.333 0.066 20 0 BCADHN N[C@@H]1CN(C[C@@H]2C[C@H]3COC[C@H]3O2)CC[C@H]1F ZINC000903765197 584797598 /nfs/dbraw/zinc/79/75/98/584797598.db2.gz FKHPNUNAFKPPNC-PREPNJAASA-N 0 3 244.310 0.161 20 0 BCADHN C[C@@H]1[C@H](C)N(Cc2ccc(N)nn2)CCN1C ZINC000904346754 584868127 /nfs/dbraw/zinc/86/81/27/584868127.db2.gz WOTSRRONFKAFKC-ZJUUUORDSA-N 0 3 235.335 0.583 20 0 BCADHN Nc1ccc(CN[C@H]2CNCCC2(F)F)nn1 ZINC000904354361 584870192 /nfs/dbraw/zinc/87/01/92/584870192.db2.gz GMJYZVMYNTXOBN-QMMMGPOBSA-N 0 3 243.261 0.146 20 0 BCADHN Nc1ccc(CN[C@H]2CCCOCC2)nn1 ZINC000904367433 584872649 /nfs/dbraw/zinc/87/26/49/584872649.db2.gz AMVAEXLETAPFJO-VIFPVBQESA-N 0 3 222.292 0.718 20 0 BCADHN c1cn(C2CC2)c(CNC[C@@H]2CNCCO2)n1 ZINC000904371141 584873094 /nfs/dbraw/zinc/87/30/94/584873094.db2.gz KFCKMUJUXMNWLN-NSHDSACASA-N 0 3 236.319 0.296 20 0 BCADHN C[C@H]1[C@@H](CO)CCCN1Cc1ccc(N)nn1 ZINC000904372754 584873676 /nfs/dbraw/zinc/87/36/76/584873676.db2.gz IIOVIHSBDVVUQU-VHSXEESVSA-N 0 3 236.319 0.652 20 0 BCADHN c1c(CN[C@H]2CNOC2)sc2c1CNCC2 ZINC000904423881 584880257 /nfs/dbraw/zinc/88/02/57/584880257.db2.gz KIPRTGKCVYQDCB-VIFPVBQESA-N 0 3 239.344 0.387 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)ccc1N ZINC000842511391 584898281 /nfs/dbraw/zinc/89/82/81/584898281.db2.gz XYFYHGLBSKLDAU-NSHDSACASA-N 0 3 249.314 0.295 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCOC1 ZINC000828960941 584905034 /nfs/dbraw/zinc/90/50/34/584905034.db2.gz UBLOVRWJMUDMTM-SDDRHHMPSA-N 0 3 238.331 0.718 20 0 BCADHN CC[C@H](C(=O)N(CC)CCC(=O)NC)N(C)C ZINC000888266849 584907021 /nfs/dbraw/zinc/90/70/21/584907021.db2.gz AKZPAQPZGZZEBG-SNVBAGLBSA-N 0 3 243.351 0.311 20 0 BCADHN CCCCN(C)CCNC(=O)c1nccn1C ZINC000741262804 584914512 /nfs/dbraw/zinc/91/45/12/584914512.db2.gz FBCZHDPKJLWTDO-UHFFFAOYSA-N 0 3 238.335 0.882 20 0 BCADHN COCCN1CC[C@@H](NC(=S)NC2CC2)C1 ZINC000730732802 584914929 /nfs/dbraw/zinc/91/49/29/584914929.db2.gz DIWXPZBNOYRIDS-SNVBAGLBSA-N 0 3 243.376 0.334 20 0 BCADHN CC(C)N1CC[C@H](N[C@@H](CCO)C2CC2)C1=O ZINC000763061055 584919599 /nfs/dbraw/zinc/91/95/99/584919599.db2.gz VUWPWFQOSYCZHE-RYUDHWBXSA-N 0 3 240.347 0.746 20 0 BCADHN CN(CCN1CCOC1=O)[C@@H]1CCOC1 ZINC000731103711 584922188 /nfs/dbraw/zinc/92/21/88/584922188.db2.gz FLVCYSBRLJDFQZ-SECBINFHSA-N 0 3 214.265 0.159 20 0 BCADHN CCCN(C)CC(=O)NCc1cc(CC)n[nH]1 ZINC000732835782 584941433 /nfs/dbraw/zinc/94/14/33/584941433.db2.gz OZAAWKFPJFWMJL-UHFFFAOYSA-N 0 3 238.335 0.930 20 0 BCADHN CCCN(C)CC(=O)NCc1cc(CC)[nH]n1 ZINC000732835782 584941434 /nfs/dbraw/zinc/94/14/34/584941434.db2.gz OZAAWKFPJFWMJL-UHFFFAOYSA-N 0 3 238.335 0.930 20 0 BCADHN CCN1CCN(C[C@@H](C)CNC(=O)OC)CC1 ZINC000733171691 584944032 /nfs/dbraw/zinc/94/40/32/584944032.db2.gz ZDZVNWJWQJBERO-NSHDSACASA-N 0 3 243.351 0.616 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)C1=COCC1 ZINC000734121192 584957937 /nfs/dbraw/zinc/95/79/37/584957937.db2.gz GPGVMTBAURKGAX-NSHDSACASA-N 0 3 224.304 0.891 20 0 BCADHN C[C@H](CNC(=O)C1=COCC1)N(C)C1CC1 ZINC000734126857 584958561 /nfs/dbraw/zinc/95/85/61/584958561.db2.gz ZVUSFGCHWOIQQU-SECBINFHSA-N 0 3 224.304 0.890 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)C1=COCC1 ZINC000734128928 584958804 /nfs/dbraw/zinc/95/88/04/584958804.db2.gz FTFBJDMCWPRMNK-NSHDSACASA-N 0 3 226.320 0.993 20 0 BCADHN NC(=O)c1ccc(CN[C@@H](CO)C2CC2)cc1 ZINC000734160478 584959134 /nfs/dbraw/zinc/95/91/34/584959134.db2.gz CAOBCALNXHAPSS-LBPRGKRZSA-N 0 3 234.299 0.646 20 0 BCADHN CC(C)OCC[C@@H](O)CN1CCN(C)[C@@H](C)C1 ZINC000788065747 584968843 /nfs/dbraw/zinc/96/88/43/584968843.db2.gz DTKHLZOZOCTNJP-QWHCGFSZSA-N 0 3 244.379 0.798 20 0 BCADHN OCCCN(CCO)C[C@H]1CC1(Cl)Cl ZINC000735562405 584979361 /nfs/dbraw/zinc/97/93/61/584979361.db2.gz KVZQDEGDHWJNBB-MRVPVSSYSA-N 0 3 242.146 0.857 20 0 BCADHN CCN(CCNC(=O)c1ncccn1)C1CC1 ZINC000735857115 584982817 /nfs/dbraw/zinc/98/28/17/584982817.db2.gz NWDGFWPJDKYFCR-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN CS(=O)(=O)CCNCCCc1nccs1 ZINC000819323199 585001511 /nfs/dbraw/zinc/00/15/11/585001511.db2.gz YSTHVQLAXIYYRR-UHFFFAOYSA-N 0 3 248.373 0.710 20 0 BCADHN C[C@@H](O)CN(C)C1CC[NH+](CCC(=O)[O-])CC1 ZINC000736677715 585009563 /nfs/dbraw/zinc/00/95/63/585009563.db2.gz OULRJCWJSPJJTA-SNVBAGLBSA-N 0 3 244.335 0.238 20 0 BCADHN C[C@]1(C(=O)N2CCN3CC[C@H]2C3)CC1(F)F ZINC000615574413 585009939 /nfs/dbraw/zinc/00/99/39/585009939.db2.gz YRRVZMKFAZTLRV-WCBMZHEXSA-N 0 3 230.258 0.948 20 0 BCADHN C[C@H]1CCN(CCNC(=O)CN2CCCC2)C1 ZINC000820485041 585013831 /nfs/dbraw/zinc/01/38/31/585013831.db2.gz HYJJKYZXMZKXHK-LBPRGKRZSA-N 0 3 239.363 0.540 20 0 BCADHN CCC1(NC(=S)NCCN(C)C)CC1 ZINC000840784679 585029928 /nfs/dbraw/zinc/02/99/28/585029928.db2.gz LQSMKJOAJUFCCA-UHFFFAOYSA-N 0 3 215.366 0.955 20 0 BCADHN CON(C)C(=O)CN1CCC[C@H]1C1CC1 ZINC000774605873 585032658 /nfs/dbraw/zinc/03/26/58/585032658.db2.gz BMOBPNPBQYJVKO-JTQLQIEISA-N 0 3 212.293 0.881 20 0 BCADHN CN(CCF)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000838478168 585059099 /nfs/dbraw/zinc/05/90/99/585059099.db2.gz UPCDIQPBXJELBD-SECBINFHSA-N 0 3 229.299 0.834 20 0 BCADHN CCOCCONC(=O)NC(C)(C)CN(C)C ZINC000838557693 585060592 /nfs/dbraw/zinc/06/05/92/585060592.db2.gz SFYXZBMVZKMTSL-UHFFFAOYSA-N 0 3 247.339 0.594 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NOCC1CC1 ZINC000838607191 585061747 /nfs/dbraw/zinc/06/17/47/585061747.db2.gz SFCFCCWEVWRGDB-JTQLQIEISA-N 0 3 227.308 0.721 20 0 BCADHN CCCCN(CC(N)=O)C[C@@H](O)C1CC1 ZINC000838792619 585068615 /nfs/dbraw/zinc/06/86/15/585068615.db2.gz TUELALGBDKHPBT-SNVBAGLBSA-N 0 3 214.309 0.345 20 0 BCADHN CNC(=O)[C@H]1CCCCN1C[C@@H](O)C1CC1 ZINC000838813963 585071312 /nfs/dbraw/zinc/07/13/12/585071312.db2.gz BNAHYCFTJPGZND-GHMZBOCLSA-N 0 3 226.320 0.358 20 0 BCADHN CN(CCC(=O)N1CCCC1)C1CC(O)C1 ZINC000838934826 585081789 /nfs/dbraw/zinc/08/17/89/585081789.db2.gz ZIGFKDNECRUDGO-UHFFFAOYSA-N 0 3 226.320 0.454 20 0 BCADHN CCn1ncc(CN[C@H]2CCN(CC3CC3)C2)n1 ZINC000838941574 585081837 /nfs/dbraw/zinc/08/18/37/585081837.db2.gz CAAKLJCYZTVMCR-LBPRGKRZSA-N 0 3 249.362 0.872 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NC[C@H](O)c1ccccc1 ZINC000838979555 585084110 /nfs/dbraw/zinc/08/41/10/585084110.db2.gz KEQWATBCNPQLGS-WCFLWFBJSA-N 0 3 248.326 0.834 20 0 BCADHN CN(C)C(=O)O[C@@H]1CCN(C[C@@H](O)C2CC2)C1 ZINC000839025913 585088216 /nfs/dbraw/zinc/08/82/16/585088216.db2.gz GRZDWYOWDIDHRF-GHMZBOCLSA-N 0 3 242.319 0.530 20 0 BCADHN CCn1ncc(CN(C)CCN(C)C2CC2)n1 ZINC000839096981 585090660 /nfs/dbraw/zinc/09/06/60/585090660.db2.gz VFGYBEVQGMWRGD-UHFFFAOYSA-N 0 3 237.351 0.824 20 0 BCADHN CN(C)CCN(C)C(=O)Nc1cnsn1 ZINC000839116239 585091986 /nfs/dbraw/zinc/09/19/86/585091986.db2.gz MWLHIDKSDVCTPF-UHFFFAOYSA-N 0 3 229.309 0.563 20 0 BCADHN CCCCOC(=O)CCN1C[C@H](CO)[C@H](O)C1 ZINC000839170655 585096391 /nfs/dbraw/zinc/09/63/91/585096391.db2.gz QXLFMMQINIVJDX-GHMZBOCLSA-N 0 3 245.319 0.005 20 0 BCADHN O=C1OCCN1CCN1CCC[C@@H]2COC[C@@H]21 ZINC000839194025 585097745 /nfs/dbraw/zinc/09/77/45/585097745.db2.gz BKHGSYJKRGZVCX-MNOVXSKESA-N 0 3 240.303 0.549 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2ncccn2)C1 ZINC000740743424 585106291 /nfs/dbraw/zinc/10/62/91/585106291.db2.gz NIYHGCKYPVKPIS-SNVBAGLBSA-N 0 3 234.303 0.643 20 0 BCADHN Cn1ccnc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000741262577 585112131 /nfs/dbraw/zinc/11/21/31/585112131.db2.gz XQRXUTWKGSQJQJ-LLVKDONJSA-N 0 3 248.330 0.634 20 0 BCADHN Cn1ccnc1C(=O)NC[C@H]1CCCN1C ZINC000741262404 585112314 /nfs/dbraw/zinc/11/23/14/585112314.db2.gz DCUHMHBZRBQAEJ-SECBINFHSA-N 0 3 222.292 0.244 20 0 BCADHN Cc1c[nH]nc1CN[C@H](CO)C[C@H]1CCCO1 ZINC000886223437 585116116 /nfs/dbraw/zinc/11/61/16/585116116.db2.gz LASDMOODRMIZIJ-WDEREUQCSA-N 0 3 239.319 0.738 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2=COCC2)CCN1C ZINC000741723435 585117226 /nfs/dbraw/zinc/11/72/26/585117226.db2.gz FQMMAZLNOAEBPA-MWLCHTKSSA-N 0 3 224.304 0.890 20 0 BCADHN C[C@@H]1CCC[C@H](C)CN1CCS(N)(=O)=O ZINC000741793464 585119077 /nfs/dbraw/zinc/11/90/77/585119077.db2.gz MJFZNJCHNZZDKU-VHSXEESVSA-N 0 3 234.365 0.785 20 0 BCADHN COCC(=O)N1CCC12CCN(C)CC2 ZINC000742185987 585122662 /nfs/dbraw/zinc/12/26/62/585122662.db2.gz OSVOCBNIYGPNIP-UHFFFAOYSA-N 0 3 212.293 0.330 20 0 BCADHN Cc1cc(C(=O)NCCN2CCC[C@@H]2C)[nH]n1 ZINC000742239299 585123949 /nfs/dbraw/zinc/12/39/49/585123949.db2.gz DZGIXFAROLVHMY-JTQLQIEISA-N 0 3 236.319 0.932 20 0 BCADHN COCCn1cc(CN[C@H](CO)C2CC2)cn1 ZINC000742371075 585125035 /nfs/dbraw/zinc/12/50/35/585125035.db2.gz HFYLCUWEIZJMAW-GFCCVEGCSA-N 0 3 239.319 0.390 20 0 BCADHN CN(C)CCNC(=S)N[C@@H]1CCSC1 ZINC000743009018 585132961 /nfs/dbraw/zinc/13/29/61/585132961.db2.gz LENJJMBSIHHXIF-MRVPVSSYSA-N 0 3 233.406 0.518 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1cc[n+]([O-])cc1 ZINC000744350483 585149123 /nfs/dbraw/zinc/14/91/23/585149123.db2.gz OTOWCHIMULBPCV-LLVKDONJSA-N 0 3 249.314 0.534 20 0 BCADHN CO[C@@H](CNC(=S)NCCN(C)C)C(C)C ZINC000745176568 585157243 /nfs/dbraw/zinc/15/72/43/585157243.db2.gz VCUQELVSLZHNSZ-JTQLQIEISA-N 0 3 247.408 0.683 20 0 BCADHN CC(C)c1nccn1CCNC(=O)c1nc[nH]n1 ZINC000746180039 585164721 /nfs/dbraw/zinc/16/47/21/585164721.db2.gz STEIRJVULIKMAV-UHFFFAOYSA-N 0 3 248.290 0.555 20 0 BCADHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2nc[nH]n2)C1 ZINC000746239543 585166042 /nfs/dbraw/zinc/16/60/42/585166042.db2.gz GPMPYMYCWSNRQC-UWVGGRQHSA-N 0 3 249.318 0.361 20 0 BCADHN Cc1cc(NCc2cc(C(N)=O)no2)nc(N)n1 ZINC000746466451 585168176 /nfs/dbraw/zinc/16/81/76/585168176.db2.gz QZMDENMRPLDDLX-UHFFFAOYSA-N 0 3 248.246 0.066 20 0 BCADHN CON(C)C(=O)CN(C)[C@@H](C)C1CC1 ZINC000746503312 585169446 /nfs/dbraw/zinc/16/94/46/585169446.db2.gz LSUABYDSNTYHNX-QMMMGPOBSA-N 0 3 200.282 0.737 20 0 BCADHN C/C=C/C(=O)Nc1cnn(CCN(C)C)c1 ZINC000747226735 585176933 /nfs/dbraw/zinc/17/69/33/585176933.db2.gz WVYWREDXSJZVLQ-SNAWJCMRSA-N 0 3 222.292 0.959 20 0 BCADHN COC1CC(CN2CC[C@@H](NC(N)=O)C2)C1 ZINC000859217908 589019831 /nfs/dbraw/zinc/01/98/31/589019831.db2.gz HRPPRKFEAYCKGQ-HWOCKDDLSA-N 0 3 227.308 0.154 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886821927 585180138 /nfs/dbraw/zinc/18/01/38/585180138.db2.gz JTODAOMSAHHHPB-WOPDTQHZSA-N 0 3 238.331 0.766 20 0 BCADHN CN1CCC[C@H](NC(=O)NCc2ccon2)C1 ZINC000747582996 585180959 /nfs/dbraw/zinc/18/09/59/585180959.db2.gz ZSLQZWZEIZBHCI-JTQLQIEISA-N 0 3 238.291 0.568 20 0 BCADHN C[C@H](NC(=S)NCCN(C)C)C1CC1 ZINC000747754010 585183615 /nfs/dbraw/zinc/18/36/15/585183615.db2.gz PPAOYOQCCXZVQO-QMMMGPOBSA-N 0 3 215.366 0.811 20 0 BCADHN CN1CCC2(CCN2C(=O)c2cc[nH]n2)CC1 ZINC000747978445 585186396 /nfs/dbraw/zinc/18/63/96/585186396.db2.gz MVJBGFXAXQPFPZ-UHFFFAOYSA-N 0 3 234.303 0.720 20 0 BCADHN CN1CCC2(CCN2C(=O)c2ccn[nH]2)CC1 ZINC000747978445 585186397 /nfs/dbraw/zinc/18/63/97/585186397.db2.gz MVJBGFXAXQPFPZ-UHFFFAOYSA-N 0 3 234.303 0.720 20 0 BCADHN COCCC(=O)N1CCC12CCN(C)CC2 ZINC000748326186 585190719 /nfs/dbraw/zinc/19/07/19/585190719.db2.gz RFRMCPRUAJMSRM-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN COC[C@@H](NCc1c[nH]cn1)[C@@H]1CCCOC1 ZINC000886915834 585193587 /nfs/dbraw/zinc/19/35/87/585193587.db2.gz KQZRLEQNRUASHC-ZYHUDNBSSA-N 0 3 239.319 0.941 20 0 BCADHN COC[C@@H](NCc1cnc[nH]1)[C@@H]1CCCOC1 ZINC000886915834 585193588 /nfs/dbraw/zinc/19/35/88/585193588.db2.gz KQZRLEQNRUASHC-ZYHUDNBSSA-N 0 3 239.319 0.941 20 0 BCADHN CN(CCCN1CCOC1=O)C[C@H]1CCCO1 ZINC000749331448 585201299 /nfs/dbraw/zinc/20/12/99/585201299.db2.gz PTDDBYNGMBJDSW-LLVKDONJSA-N 0 3 242.319 0.940 20 0 BCADHN CO[C@@H](C)CC(=O)NC[C@H](C)N(C)C ZINC000749571688 585203951 /nfs/dbraw/zinc/20/39/51/585203951.db2.gz ZWJRINJHBIGWMO-IUCAKERBSA-N 0 3 202.298 0.478 20 0 BCADHN CCN1CC[C@@H](CNC(=O)c2ccc(C=O)[nH]2)C1 ZINC000749920017 585208260 /nfs/dbraw/zinc/20/82/60/585208260.db2.gz KINFLLDWUYTJCK-JTQLQIEISA-N 0 3 249.314 0.899 20 0 BCADHN CCN1CC[C@H](CNC(=O)c2ccc(C=O)[nH]2)C1 ZINC000749920326 585208323 /nfs/dbraw/zinc/20/83/23/585208323.db2.gz KINFLLDWUYTJCK-SNVBAGLBSA-N 0 3 249.314 0.899 20 0 BCADHN NS(=O)(=O)CCN1C[C@@H]2CCCC[C@H]2C1 ZINC000750063762 585209842 /nfs/dbraw/zinc/20/98/42/585209842.db2.gz YSRCKHKYTIMTLK-UWVGGRQHSA-N 0 3 232.349 0.397 20 0 BCADHN NS(=O)(=O)CCN1C[C@H]2CCCC[C@@H]2C1 ZINC000750063761 585209969 /nfs/dbraw/zinc/20/99/69/585209969.db2.gz YSRCKHKYTIMTLK-NXEZZACHSA-N 0 3 232.349 0.397 20 0 BCADHN Cc1cc(NCC2(C(N)=O)CCCC2)nc(N)n1 ZINC000750172272 585211678 /nfs/dbraw/zinc/21/16/78/585211678.db2.gz YATCBXYTIGJHRY-UHFFFAOYSA-N 0 3 249.318 0.825 20 0 BCADHN CN(CCCCCCO)[C@@H]1CCN(C)C1=O ZINC000750185583 585212024 /nfs/dbraw/zinc/21/20/24/585212024.db2.gz OSPFPEHHAQDGAL-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN C[NH+](C)CCCNC(=O)c1ccc(N)cc1[O-] ZINC000750857589 585220841 /nfs/dbraw/zinc/22/08/41/585220841.db2.gz RJIJSHXZZMVVCM-UHFFFAOYSA-N 0 3 237.303 0.656 20 0 BCADHN C[C@H]1CCN(C(=S)NCCN(C)C)C1 ZINC000751021785 585223653 /nfs/dbraw/zinc/22/36/53/585223653.db2.gz LANHPSOHZIVNTP-VIFPVBQESA-N 0 3 215.366 0.764 20 0 BCADHN COCC[C@H](C)NC(=S)NCCN(C)C ZINC000751019417 585223716 /nfs/dbraw/zinc/22/37/16/585223716.db2.gz HOXPBXZJDQMPDA-VIFPVBQESA-N 0 3 233.381 0.437 20 0 BCADHN Cc1cc(NCc2ccc(C(N)=O)o2)nc(N)n1 ZINC000751961247 585239950 /nfs/dbraw/zinc/23/99/50/585239950.db2.gz HJJYZAKWGPHJLW-UHFFFAOYSA-N 0 3 247.258 0.671 20 0 BCADHN COC[C@@H]1CCCN1CCN1CCOC1=O ZINC000752090471 585241819 /nfs/dbraw/zinc/24/18/19/585241819.db2.gz ZKHPZPIETLUJKV-JTQLQIEISA-N 0 3 228.292 0.549 20 0 BCADHN CN(C)C1(C(=O)N2CC(F)C2)CCC1 ZINC000753073684 585253187 /nfs/dbraw/zinc/25/31/87/585253187.db2.gz FVHAQYWTTXWXNJ-UHFFFAOYSA-N 0 3 200.257 0.651 20 0 BCADHN COCCCO[N-]C(=O)[C@H]1CC[N@H+](C)C1 ZINC000805041284 585257637 /nfs/dbraw/zinc/25/76/37/585257637.db2.gz WNOSASJOFDKYEF-VIFPVBQESA-N 0 3 216.281 0.022 20 0 BCADHN COCCCO[N-]C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000805041284 585257638 /nfs/dbraw/zinc/25/76/38/585257638.db2.gz WNOSASJOFDKYEF-VIFPVBQESA-N 0 3 216.281 0.022 20 0 BCADHN CCC1(C(=O)NCCOCCN(C)C)COC1 ZINC000753431966 585258961 /nfs/dbraw/zinc/25/89/61/585258961.db2.gz FUDOGFQUXXKUCH-UHFFFAOYSA-N 0 3 244.335 0.107 20 0 BCADHN CON(C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000753534210 585260958 /nfs/dbraw/zinc/26/09/58/585260958.db2.gz XNZZOMRPMDUHDW-IUCAKERBSA-N 0 3 215.297 0.672 20 0 BCADHN CON(C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000753548710 585261475 /nfs/dbraw/zinc/26/14/75/585261475.db2.gz DDQLHOBTLUVTPL-SNVBAGLBSA-N 0 3 247.364 0.627 20 0 BCADHN C[C@H](NC[C@@H](O)c1cnn(C)c1)[C@@H]1CCCO1 ZINC000753664772 585265825 /nfs/dbraw/zinc/26/58/25/585265825.db2.gz QWVCUOAHQKANKJ-WCQGTBRESA-N 0 3 239.319 0.611 20 0 BCADHN CCC(=O)CCN1CCC2(COC(=O)N2)CC1 ZINC000753749198 585268136 /nfs/dbraw/zinc/26/81/36/585268136.db2.gz PFCOOODRJPSDSE-UHFFFAOYSA-N 0 3 240.303 0.930 20 0 BCADHN CONC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000753824646 585270494 /nfs/dbraw/zinc/27/04/94/585270494.db2.gz HDQHKLASHHDXQZ-VIFPVBQESA-N 0 3 233.337 0.284 20 0 BCADHN CONC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000753825778 585270622 /nfs/dbraw/zinc/27/06/22/585270622.db2.gz SFGCMZLGDZISNY-JGVFFNPUSA-N 0 3 201.270 0.330 20 0 BCADHN C[C@H]1COCCN(CCN2CCOC2=O)C1 ZINC000754385407 585283899 /nfs/dbraw/zinc/28/38/99/585283899.db2.gz LEHDJKXQMAEBAK-SNVBAGLBSA-N 0 3 228.292 0.407 20 0 BCADHN CN(C)CCNC(=S)NC1(C)CCC1 ZINC000754691659 585289440 /nfs/dbraw/zinc/28/94/40/585289440.db2.gz FAEYFRMXQIRLGF-UHFFFAOYSA-N 0 3 215.366 0.955 20 0 BCADHN OCCCCCCN1CCN2CCOC[C@H]2C1 ZINC000755210901 585296053 /nfs/dbraw/zinc/29/60/53/585296053.db2.gz HPPWVQLIEODVDU-CYBMUJFWSA-N 0 3 242.363 0.556 20 0 BCADHN CCC1(C(=O)NCCN(C)CCOC)COC1 ZINC000755308867 585297417 /nfs/dbraw/zinc/29/74/17/585297417.db2.gz QTVYYBAQAIJVAI-UHFFFAOYSA-N 0 3 244.335 0.107 20 0 BCADHN CCC1(C(=O)NC[C@@H]2CCCN(C)C2)COC1 ZINC000755343926 585297797 /nfs/dbraw/zinc/29/77/97/585297797.db2.gz PAPYIDBEXFYHSE-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN CC[C@H](C(=O)NC1COC(C)(C)OC1)N(C)C ZINC000756713538 585322741 /nfs/dbraw/zinc/32/27/41/585322741.db2.gz WAPCZDLOXUSMJY-SNVBAGLBSA-N 0 3 244.335 0.594 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CCO)C1CC1 ZINC000757082453 585327786 /nfs/dbraw/zinc/32/77/86/585327786.db2.gz SEGHZIFGCOSPIH-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CN1CCC(C(=O)N[C@H](CCO)C2CC2)CC1 ZINC000757087851 585327907 /nfs/dbraw/zinc/32/79/07/585327907.db2.gz DTIXCUCDGIGUOR-GFCCVEGCSA-N 0 3 240.347 0.605 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](CCO)C1CC1)N(C)C ZINC000757091567 585328225 /nfs/dbraw/zinc/32/82/25/585328225.db2.gz WCXUZTSELQPLBD-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CON(C)C(=O)CN[C@H](C)[C@@](C)(OC)C1CC1 ZINC000839636804 585332413 /nfs/dbraw/zinc/33/24/13/585332413.db2.gz BRWHEVKIXNLJKW-BXKDBHETSA-N 0 3 244.335 0.799 20 0 BCADHN CCN(CCS(N)(=O)=O)C1CC(C)(C)C1 ZINC000839663109 585334331 /nfs/dbraw/zinc/33/43/31/585334331.db2.gz CLMFLMURAGWHMV-UHFFFAOYSA-N 0 3 234.365 0.785 20 0 BCADHN C[C@H](O)[C@H]1CN(C[Si](C)(C)C)CCO1 ZINC000839671288 585336152 /nfs/dbraw/zinc/33/61/52/585336152.db2.gz LAKQCIRJYCDICP-VHSXEESVSA-N 0 3 217.385 0.945 20 0 BCADHN COC(OC)[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC000839765106 585339152 /nfs/dbraw/zinc/33/91/52/585339152.db2.gz QRUQNLGBUSZBOF-ZJUUUORDSA-N 0 3 246.351 0.696 20 0 BCADHN CCCN(C)CC(=O)NCCOC(=O)C1CC1 ZINC000839755646 585340390 /nfs/dbraw/zinc/34/03/90/585340390.db2.gz IBMFRDNITMBASO-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1C[C@@H](C)OC1=O)N(C)C ZINC000839772175 585340945 /nfs/dbraw/zinc/34/09/45/585340945.db2.gz VLBKTKVPPPWMLT-KXUCPTDWSA-N 0 3 242.319 0.393 20 0 BCADHN CCCCCCN1CC[C@@H](S(N)(=O)=O)C1 ZINC000757637353 585343485 /nfs/dbraw/zinc/34/34/85/585343485.db2.gz BVMXCCQZFYSJAV-SNVBAGLBSA-N 0 3 234.365 0.930 20 0 BCADHN C[C@H](CCO)NCc1ccc2c(c1)C(=O)NCC2 ZINC000757661042 585343968 /nfs/dbraw/zinc/34/39/68/585343968.db2.gz MGQPFXZTFJFICR-SNVBAGLBSA-N 0 3 248.326 0.833 20 0 BCADHN CCC[C@@H]1CCCN(CCS(N)(=O)=O)C1 ZINC000757849707 585346125 /nfs/dbraw/zinc/34/61/25/585346125.db2.gz CJNOYIMGVYZESQ-SNVBAGLBSA-N 0 3 234.365 0.787 20 0 BCADHN CC(C)OCCNC(=S)NCCN(C)C ZINC000757942794 585347186 /nfs/dbraw/zinc/34/71/86/585347186.db2.gz KLELSKAGUHHWKV-UHFFFAOYSA-N 0 3 233.381 0.437 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ncccn1 ZINC000758202603 585351535 /nfs/dbraw/zinc/35/15/35/585351535.db2.gz PWUKWYRRSPOHQL-KOLCDFICSA-N 0 3 246.314 0.689 20 0 BCADHN CN(C)CCNC(=O)C1CCN(CCF)CC1 ZINC000759331854 585367850 /nfs/dbraw/zinc/36/78/50/585367850.db2.gz KAAHTGIBHPKUOF-UHFFFAOYSA-N 0 3 245.342 0.346 20 0 BCADHN COCCOC[C@H]1CCN(CCF)C1 ZINC000759347583 585370453 /nfs/dbraw/zinc/37/04/53/585370453.db2.gz QWKNOBRGHZJTML-JTQLQIEISA-N 0 3 205.273 0.941 20 0 BCADHN CN(CCCCCCCO)[C@@H]1CCNC1=O ZINC000759433135 585372934 /nfs/dbraw/zinc/37/29/34/585372934.db2.gz JJLSQHPVNVRGKR-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN CN(CC1(O)CCCCC1)[C@H]1CCNC1=O ZINC000759437371 585373154 /nfs/dbraw/zinc/37/31/54/585373154.db2.gz NNLFZFHBKYLYEX-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN CN(C)CCNC(=S)NC1CC=CC1 ZINC000759672435 585378520 /nfs/dbraw/zinc/37/85/20/585378520.db2.gz GJQPKWCITSZXQT-UHFFFAOYSA-N 0 3 213.350 0.731 20 0 BCADHN COC(CN(CCCO)C[C@@H]1CCOC1)OC ZINC000759871216 585381698 /nfs/dbraw/zinc/38/16/98/585381698.db2.gz XWRHZNYRDZROKR-NSHDSACASA-N 0 3 247.335 0.326 20 0 BCADHN C[C@@]1(CO)CCCN1CC1OCCO1 ZINC000759900358 585382321 /nfs/dbraw/zinc/38/23/21/585382321.db2.gz GZSKMHCHACKYKX-JTQLQIEISA-N 0 3 201.266 0.206 20 0 BCADHN CCCN(C)CC(=O)NCCC1(C)OCCO1 ZINC000760108482 585385801 /nfs/dbraw/zinc/38/58/01/585385801.db2.gz GVLVEGOERWKTEF-UHFFFAOYSA-N 0 3 244.335 0.598 20 0 BCADHN COC(=O)C1=NO[C@@H](CSCCN(C)C)C1 ZINC000760190268 585386473 /nfs/dbraw/zinc/38/64/73/585386473.db2.gz VCAWAQFPFOPQQC-MRVPVSSYSA-N 0 3 246.332 0.599 20 0 BCADHN CC(C)[C@H](C(=O)NCc1cnn(C)n1)N(C)C ZINC000805213624 585401736 /nfs/dbraw/zinc/40/17/36/585401736.db2.gz GLAUXJYDJYBLIG-SNVBAGLBSA-N 0 3 239.323 0.018 20 0 BCADHN CCN(C)C(=O)CCN1CCN(C)[C@@H](C)C1 ZINC000761074558 585403895 /nfs/dbraw/zinc/40/38/95/585403895.db2.gz 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OC[C@H](NCc1cn2cccnc2n1)C1CC1 ZINC000771806897 585600674 /nfs/dbraw/zinc/60/06/74/585600674.db2.gz JMKBGRGOTQAWJH-NSHDSACASA-N 0 3 232.287 0.590 20 0 BCADHN CCN(CC)CC(=O)NCc1ncccn1 ZINC000771825259 585601299 /nfs/dbraw/zinc/60/12/99/585601299.db2.gz BSRHOKKGDKXEMU-UHFFFAOYSA-N 0 3 222.292 0.435 20 0 BCADHN Cc1n[nH]cc1CNC[C@H](O)c1cccnc1 ZINC000771977142 585606177 /nfs/dbraw/zinc/60/61/77/585606177.db2.gz HWQZCKCYBXGMMJ-LBPRGKRZSA-N 0 3 232.287 0.936 20 0 BCADHN CCC(=O)N[C@H](C)C(=O)OCCN(CC)CC ZINC000771995562 585606454 /nfs/dbraw/zinc/60/64/54/585606454.db2.gz SQIWZMYXAOEIMS-SNVBAGLBSA-N 0 3 244.335 0.786 20 0 BCADHN CCN(CC)CCOC(=O)C1(O)CCOCC1 ZINC000772087427 585608199 /nfs/dbraw/zinc/60/81/99/585608199.db2.gz HMZIGIWCOCSKIG-UHFFFAOYSA-N 0 3 245.319 0.413 20 0 BCADHN CCN(CC)CCOC(=O)c1ncccn1 ZINC000772144916 585608406 /nfs/dbraw/zinc/60/84/06/585608406.db2.gz VEKNEFYDXGLVSW-UHFFFAOYSA-N 0 3 223.276 0.975 20 0 BCADHN CCN(CC)CCOC(=O)[C@H](O)C1CC1 ZINC000772100146 585608477 /nfs/dbraw/zinc/60/84/77/585608477.db2.gz YHOPDEZJGKRAIF-SNVBAGLBSA-N 0 3 215.293 0.642 20 0 BCADHN Cc1cnc(COC(=O)C2CCN(C)C2=O)o1 ZINC000772504750 585616748 /nfs/dbraw/zinc/61/67/48/585616748.db2.gz JXRGFRFIVPMHBC-MRVPVSSYSA-N 0 3 238.243 0.505 20 0 BCADHN CC(=O)CCCCOC(=O)C1CCN(C)C1=O ZINC000772516546 585617255 /nfs/dbraw/zinc/61/72/55/585617255.db2.gz GBEIRFJYTYBRIR-SNVBAGLBSA-N 0 3 241.287 0.767 20 0 BCADHN CCOCCCOC(=O)C1CCN(C)C1=O ZINC000772516131 585617276 /nfs/dbraw/zinc/61/72/76/585617276.db2.gz AXHCICYLTMTZBS-SECBINFHSA-N 0 3 229.276 0.435 20 0 BCADHN CN1CCC(ONC(=O)c2cccnc2)CC1 ZINC000773550331 585640059 /nfs/dbraw/zinc/64/00/59/585640059.db2.gz CEUCBYDNVQMXFY-UHFFFAOYSA-N 0 3 235.287 0.837 20 0 BCADHN CCOCCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000773543256 585640094 /nfs/dbraw/zinc/64/00/94/585640094.db2.gz VVRNBVHKTOAGBP-UHFFFAOYSA-N 0 3 230.308 0.555 20 0 BCADHN CCOCCCCOC(=O)C1CCN(C)C1=O ZINC000774100987 585650399 /nfs/dbraw/zinc/65/03/99/585650399.db2.gz CPKXHOPREBZBMR-SNVBAGLBSA-N 0 3 243.303 0.825 20 0 BCADHN CC[C@H]1CCCN1CC(=O)N(C)OC ZINC000774607933 585661950 /nfs/dbraw/zinc/66/19/50/585661950.db2.gz MBFZDAKUOOZWMH-VIFPVBQESA-N 0 3 200.282 0.881 20 0 BCADHN CON(C)C(=O)CN1CC[C@H](C(C)C)C1 ZINC000774659222 585662866 /nfs/dbraw/zinc/66/28/66/585662866.db2.gz HWXOKILAPCHPJT-JTQLQIEISA-N 0 3 214.309 0.984 20 0 BCADHN CON(C)C(=O)CN1CCC[C@H]2COCC[C@@H]21 ZINC000774659210 585663055 /nfs/dbraw/zinc/66/30/55/585663055.db2.gz HFUMSFUYQJXHGK-QWRGUYRKSA-N 0 3 242.319 0.507 20 0 BCADHN C[C@@H](CN1CCOCC1)N1CCN(C)[C@H](C)C1 ZINC000774736584 585664693 /nfs/dbraw/zinc/66/46/93/585664693.db2.gz FYHTZPUICUUYAF-OLZOCXBDSA-N 0 3 241.379 0.343 20 0 BCADHN CON(C)C(=O)CN1CC[C@H](C)[C@@H](C)C1 ZINC000774765734 585665316 /nfs/dbraw/zinc/66/53/16/585665316.db2.gz ANCIVGAWLACIJM-UWVGGRQHSA-N 0 3 214.309 0.984 20 0 BCADHN CC(C(=O)N1CCOCC[C@@H]1C)S(C)(=O)=O ZINC000775514907 585678698 /nfs/dbraw/zinc/67/86/98/585678698.db2.gz KTDHPGPOLOJYHI-DTWKUNHWSA-N 0 3 249.332 0.057 20 0 BCADHN CCCCN(CCCO)CCN1CCOC1=O ZINC000775560660 585679635 /nfs/dbraw/zinc/67/96/35/585679635.db2.gz PMCAZQJXQUTHAS-UHFFFAOYSA-N 0 3 244.335 0.923 20 0 BCADHN CN(C)C1(C(=O)NCCc2cnccn2)CCC1 ZINC000775584838 585681015 /nfs/dbraw/zinc/68/10/15/585681015.db2.gz KSLBEDDHIUDBID-UHFFFAOYSA-N 0 3 248.330 0.620 20 0 BCADHN CO[C@H](C)CC(=O)NCC1=CCN(C)CC1 ZINC000775884811 585687297 /nfs/dbraw/zinc/68/72/97/585687297.db2.gz WBSJHTUSKAQWNB-SNVBAGLBSA-N 0 3 226.320 0.790 20 0 BCADHN CC(C)(C)OC1CC(N2C[C@H](O)C[C@H](O)C2)C1 ZINC000775933892 585687842 /nfs/dbraw/zinc/68/78/42/585687842.db2.gz ZLYAQTGXOYZPQR-WSVSKBAQSA-N 0 3 243.347 0.760 20 0 BCADHN Cc1cc(CN2C[C@@H](O)C[C@H]2CO)c(C)o1 ZINC000776010931 585689062 /nfs/dbraw/zinc/68/90/62/585689062.db2.gz XERGMPRRFJBFNC-RYUDHWBXSA-N 0 3 225.288 0.824 20 0 BCADHN CS[C@@H]1CN([C@H]2CCOC2=O)C[C@H]1N(C)C ZINC000776001897 585689300 /nfs/dbraw/zinc/68/93/00/585689300.db2.gz QXKYVUMBTCXOAJ-IVZWLZJFSA-N 0 3 244.360 0.279 20 0 BCADHN CC(C)(CC(N)=O)NCc1ccnc(F)c1 ZINC000859253490 589024436 /nfs/dbraw/zinc/02/44/36/589024436.db2.gz XEKLMUQLJWZCBK-UHFFFAOYSA-N 0 3 225.267 0.964 20 0 BCADHN CC[C@H]1C[C@@H](C)CN1CN1CC(=O)N(C)C1=O ZINC000776200832 585692765 /nfs/dbraw/zinc/69/27/65/585692765.db2.gz QKVJZOPNNULONK-ZJUUUORDSA-N 0 3 239.319 0.958 20 0 BCADHN CC(C)[C@@H]1CCN(CN2CC(=O)N(C)C2=O)C1 ZINC000776202655 585692914 /nfs/dbraw/zinc/69/29/14/585692914.db2.gz VNPHMNPHQSZTAG-SNVBAGLBSA-N 0 3 239.319 0.816 20 0 BCADHN CC(C)[C@@H]1CCCN1CN1CC(=O)N(C)C1=O ZINC000776202144 585693011 /nfs/dbraw/zinc/69/30/11/585693011.db2.gz HVLVHXKVGOXOOM-JTQLQIEISA-N 0 3 239.319 0.958 20 0 BCADHN CN(C)CCNC(=S)N[C@H]1CCCOCC1 ZINC000776264685 585694250 /nfs/dbraw/zinc/69/42/50/585694250.db2.gz DBTAQBBTPCPDIN-JTQLQIEISA-N 0 3 245.392 0.581 20 0 BCADHN CCOC(CN(C)CCCO)OCC ZINC000300879504 585702663 /nfs/dbraw/zinc/70/26/63/585702663.db2.gz YYEZZPVBKQZRLW-UHFFFAOYSA-N 0 3 205.298 0.700 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1Cn1cnnc1 ZINC000776761385 585704508 /nfs/dbraw/zinc/70/45/08/585704508.db2.gz APFWGPIAKREPMI-UWVGGRQHSA-N 0 3 210.281 0.471 20 0 BCADHN C[C@@H](O)C[C@H]1CCCN1Cn1cnnc1 ZINC000776761384 585704925 /nfs/dbraw/zinc/70/49/25/585704925.db2.gz APFWGPIAKREPMI-NXEZZACHSA-N 0 3 210.281 0.471 20 0 BCADHN c1nncn1CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000776764053 585705233 /nfs/dbraw/zinc/70/52/33/585705233.db2.gz WOUHVKLGMFYTHI-RYUDHWBXSA-N 0 3 236.319 0.984 20 0 BCADHN COC(C)(C)[C@H](C)N[C@H]1CCCS(=O)(=O)C1 ZINC000300992993 585706020 /nfs/dbraw/zinc/70/60/20/585706020.db2.gz LXBORKSIHZYQKG-UWVGGRQHSA-N 0 3 249.376 0.967 20 0 BCADHN Cc1cc(N2CC[C@H](n3cncn3)C2)nc(N)n1 ZINC000776838531 585706066 /nfs/dbraw/zinc/70/60/66/585706066.db2.gz CQBSDPFUSIJEPE-VIFPVBQESA-N 0 3 245.290 0.410 20 0 BCADHN COC1(C)CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000777441013 585712250 /nfs/dbraw/zinc/71/22/50/585712250.db2.gz VKFLNEZAEPRJRV-UHFFFAOYSA-N 0 3 226.320 0.718 20 0 BCADHN CCOC[C@H](C)NC(=S)NCCN(C)C ZINC000777484294 585713637 /nfs/dbraw/zinc/71/36/37/585713637.db2.gz FLSPNPWAOPJIEQ-VIFPVBQESA-N 0 3 233.381 0.437 20 0 BCADHN OCCN(CC1CC1)CC1OCCO1 ZINC000777559522 585715423 /nfs/dbraw/zinc/71/54/23/585715423.db2.gz FUCQDTKOMDDXIC-UHFFFAOYSA-N 0 3 201.266 0.064 20 0 BCADHN OCCC1CCN(CC2OCCO2)CC1 ZINC000777582469 585716063 /nfs/dbraw/zinc/71/60/63/585716063.db2.gz HNSZZBICOIKJCL-UHFFFAOYSA-N 0 3 215.293 0.454 20 0 BCADHN c1nc(C2CCN(CC3OCCO3)CC2)n[nH]1 ZINC000777597234 585717035 /nfs/dbraw/zinc/71/70/35/585717035.db2.gz BHXIPLARWCKICP-UHFFFAOYSA-N 0 3 238.291 0.357 20 0 BCADHN CC(C)[C@@H]1NC(=O)N([C@H]2CCCN(C)C2)C1=O ZINC000777619273 585717223 /nfs/dbraw/zinc/71/72/23/585717223.db2.gz JKPVHGVOXFZAQH-UWVGGRQHSA-N 0 3 239.319 0.657 20 0 BCADHN CN1CCC[C@@H](N2C(=O)[C@H]3CCCN3C2=O)C1 ZINC000777621382 585717365 /nfs/dbraw/zinc/71/73/65/585717365.db2.gz XMODSOMADJSNAM-NXEZZACHSA-N 0 3 237.303 0.507 20 0 BCADHN CN1CC(=O)N([C@H]2CCN(C3CC3)C2)C1=O ZINC000777625338 585717399 /nfs/dbraw/zinc/71/73/99/585717399.db2.gz JPVVHSQUPMFXAL-VIFPVBQESA-N 0 3 223.276 0.117 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1CC1OCCO1 ZINC000777717201 585718431 /nfs/dbraw/zinc/71/84/31/585718431.db2.gz QWXYTEHVQIALDP-VHSXEESVSA-N 0 3 214.309 0.384 20 0 BCADHN C[C@H](C1CC1)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000777700740 585718690 /nfs/dbraw/zinc/71/86/90/585718690.db2.gz DNBWBHIKJHTXJX-KOLCDFICSA-N 0 3 246.376 0.799 20 0 BCADHN Cc1cc(N[C@@H]2CCn3ccnc3C2)nc(N)n1 ZINC000777801880 585720244 /nfs/dbraw/zinc/72/02/44/585720244.db2.gz KQYSFOMVLXQHFV-SECBINFHSA-N 0 3 244.302 0.991 20 0 BCADHN Cn1cc([C@@H](CO)NCCCCCCO)cn1 ZINC000778139495 585726218 /nfs/dbraw/zinc/72/62/18/585726218.db2.gz YVEXRYJFPQRCGW-GFCCVEGCSA-N 0 3 241.335 0.596 20 0 BCADHN CC(C)(O)CN(CCN1CCOC1=O)C1CC1 ZINC000778217338 585728062 /nfs/dbraw/zinc/72/80/62/585728062.db2.gz YOUXDHYOACUMCR-UHFFFAOYSA-N 0 3 242.319 0.674 20 0 BCADHN CC[NH+](CC)CCOC(=O)c1cnn[n-]1 ZINC000805603827 585730068 /nfs/dbraw/zinc/73/00/68/585730068.db2.gz PXRZQGFNYKUACE-UHFFFAOYSA-N 0 3 212.253 0.303 20 0 BCADHN CC[NH+](CC)CCOC(=O)c1c[n-]nn1 ZINC000805603827 585730069 /nfs/dbraw/zinc/73/00/69/585730069.db2.gz PXRZQGFNYKUACE-UHFFFAOYSA-N 0 3 212.253 0.303 20 0 BCADHN OCC[C@H]1CCCN1CC1OCCO1 ZINC000778267476 585730328 /nfs/dbraw/zinc/73/03/28/585730328.db2.gz GHLYBEQMTUHUCT-SECBINFHSA-N 0 3 201.266 0.206 20 0 BCADHN CC[C@]1(O)CCN(C/C=C(\C)C(=O)OC)C1 ZINC000778388849 585733440 /nfs/dbraw/zinc/73/34/40/585733440.db2.gz RMEIKSQSTRSSJZ-DJTWPOEFSA-N 0 3 227.304 0.953 20 0 BCADHN CC[C@]1(O)CCN(CCN2CCOC2=O)C1 ZINC000778405920 585734051 /nfs/dbraw/zinc/73/40/51/585734051.db2.gz WAJKHNKEXIHRMC-NSHDSACASA-N 0 3 228.292 0.285 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)C1CC(=O)C1 ZINC000778506617 585736327 /nfs/dbraw/zinc/73/63/27/585736327.db2.gz QMTGVJSKIASCPY-LLVKDONJSA-N 0 3 226.320 0.668 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)N[C@H](CO)C1CC1 ZINC000778695076 585739351 /nfs/dbraw/zinc/73/93/51/585739351.db2.gz HEBJJGLUEFJQAV-GHMZBOCLSA-N 0 3 241.335 0.151 20 0 BCADHN CN(C)C1(C(=O)N[C@H]2C[C@H](O)C2(C)C)CCC1 ZINC000779231605 585747871 /nfs/dbraw/zinc/74/78/71/585747871.db2.gz NCVJMURYYIZKJQ-UWVGGRQHSA-N 0 3 240.347 0.746 20 0 BCADHN COc1cc(CN[C@@H](C)CCO)ccn1 ZINC000779342974 585751810 /nfs/dbraw/zinc/75/18/10/585751810.db2.gz QCMFKWXRDGMFSB-VIFPVBQESA-N 0 3 210.277 0.951 20 0 BCADHN CNC(=O)c1cccc(CN[C@@H](C)CCO)c1 ZINC000779394868 585753163 /nfs/dbraw/zinc/75/31/63/585753163.db2.gz IHBNZEMQNDOBTQ-JTQLQIEISA-N 0 3 236.315 0.907 20 0 BCADHN C[C@@H](CCO)NCc1ccc(C(N)=O)nc1 ZINC000779405336 585753697 /nfs/dbraw/zinc/75/36/97/585753697.db2.gz WUVSRNSAJWBCOQ-QMMMGPOBSA-N 0 3 223.276 0.041 20 0 BCADHN C[C@H](CCO)NCCS(=O)(=O)CC1CC1 ZINC000779412946 585753962 /nfs/dbraw/zinc/75/39/62/585753962.db2.gz QCDDQRWHPGFUNU-SECBINFHSA-N 0 3 235.349 0.172 20 0 BCADHN CONC(=O)CCN(C)c1ccncc1 ZINC000779493359 585755750 /nfs/dbraw/zinc/75/57/50/585755750.db2.gz QDHLLXBUYDNDQM-UHFFFAOYSA-N 0 3 209.249 0.586 20 0 BCADHN CC[C@H](CO)C(=O)NC1CCN(C2CC2)CC1 ZINC000779587098 585756602 /nfs/dbraw/zinc/75/66/02/585756602.db2.gz NIARVEIBSOVPSN-SNVBAGLBSA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@H](CO)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000779622809 585757465 /nfs/dbraw/zinc/75/74/65/585757465.db2.gz GXHMHIUJHNVTCX-VXGBXAGGSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H](CO)C(=O)NCCN(C)CCCOC ZINC000779638823 585757965 /nfs/dbraw/zinc/75/79/65/585757965.db2.gz UACKDZOVDVKZDQ-NSHDSACASA-N 0 3 246.351 0.089 20 0 BCADHN CC[C@H](CO)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000779641201 585758012 /nfs/dbraw/zinc/75/80/12/585758012.db2.gz GCSWOHYSBBIGII-HBNTYKKESA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@@H](CO)C(=O)NC[C@@H]1CCCN1CC ZINC000779730326 585760042 /nfs/dbraw/zinc/76/00/42/585760042.db2.gz GFSWZIOHTNMOMZ-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@@H](CO)C(=O)NC[C@H](C)N(C)C ZINC000779738392 585760299 /nfs/dbraw/zinc/76/02/99/585760299.db2.gz NEJJKTOUPDGIIH-IUCAKERBSA-N 0 3 202.298 0.071 20 0 BCADHN CC(=O)OC(C)(C)C(=O)NC[C@H](C)N(C)C ZINC000779739337 585760304 /nfs/dbraw/zinc/76/03/04/585760304.db2.gz SMMYMMYLESFTGF-QMMMGPOBSA-N 0 3 230.308 0.394 20 0 BCADHN CC[C@@H](CO)C(=O)NCCN1CCC[C@H](C)C1 ZINC000779736146 585760390 /nfs/dbraw/zinc/76/03/90/585760390.db2.gz GBAAXTYFGSUXKT-RYUDHWBXSA-N 0 3 242.363 0.853 20 0 BCADHN CC[C@H](CO)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000779738941 585760423 /nfs/dbraw/zinc/76/04/23/585760423.db2.gz GWVDNMUGISPQSL-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@H](CC)CO ZINC000779765123 585760974 /nfs/dbraw/zinc/76/09/74/585760974.db2.gz FBCMPIPRWFLMPN-LLVKDONJSA-N 0 3 230.352 0.805 20 0 BCADHN CC[C@H](CO)C(=O)N1CCC[C@H]1CN(C)C ZINC000779765274 585761619 /nfs/dbraw/zinc/76/16/19/585761619.db2.gz RLOIBRSYRCNAEX-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@@H](CO)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000779777840 585762255 /nfs/dbraw/zinc/76/22/55/585762255.db2.gz VLNLVSXNKFZKGD-JQWIXIFHSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@H](CO)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000779779375 585762588 /nfs/dbraw/zinc/76/25/88/585762588.db2.gz WVTDOXUXINIXLH-ZYHUDNBSSA-N 0 3 240.347 0.558 20 0 BCADHN CCN(C)S(=O)(=O)NCCN1CCC[C@@H]1C ZINC000780864629 585785487 /nfs/dbraw/zinc/78/54/87/585785487.db2.gz DJJZTJWWLNKUII-JTQLQIEISA-N 0 3 249.380 0.257 20 0 BCADHN CC[C@H](C(=O)NN1CCCC1=O)N(CC)CC ZINC000781061302 585789209 /nfs/dbraw/zinc/78/92/09/585789209.db2.gz NJUZUIDOJCAYOT-SNVBAGLBSA-N 0 3 241.335 0.760 20 0 BCADHN COC(CN1C[C@@H](C)N(C)C[C@@H]1C)OC ZINC000781903795 585804211 /nfs/dbraw/zinc/80/42/11/585804211.db2.gz XPUGHVYCSHVFJM-ZJUUUORDSA-N 0 3 216.325 0.630 20 0 BCADHN CN(C)C1(C(=O)N2CC(C(C)(C)O)C2)CCC1 ZINC000781872875 585804395 /nfs/dbraw/zinc/80/43/95/585804395.db2.gz TZOMYWIBWCAHJH-UHFFFAOYSA-N 0 3 240.347 0.700 20 0 BCADHN COC(CN1CCN(C)[C@H](C)[C@@H]1C)OC ZINC000781902943 585805193 /nfs/dbraw/zinc/80/51/93/585805193.db2.gz PDGQCAOSVUEJFG-ZJUUUORDSA-N 0 3 216.325 0.630 20 0 BCADHN COC[C@H](C)N1CCC2(CNC(=O)O2)CC1 ZINC000781994511 585806512 /nfs/dbraw/zinc/80/65/12/585806512.db2.gz QNWRZGWVVBAFLI-VIFPVBQESA-N 0 3 228.292 0.596 20 0 BCADHN C[C@@](CO)(NCc1cn2cccnc2n1)C1CC1 ZINC000782177333 585809965 /nfs/dbraw/zinc/80/99/65/585809965.db2.gz VQVMEPRLYGRUKX-ZDUSSCGKSA-N 0 3 246.314 0.980 20 0 BCADHN CCNS(=O)(=O)[C@H]1CCN([C@@H](C)C2CC2)C1 ZINC000782188295 585811042 /nfs/dbraw/zinc/81/10/42/585811042.db2.gz BTANARHRXCNIQR-ONGXEEELSA-N 0 3 246.376 0.799 20 0 BCADHN COCCCN(CCO)c1cc(C)nc(N)n1 ZINC000782390534 585816917 /nfs/dbraw/zinc/81/69/17/585816917.db2.gz FKYCZTQDYXJZNW-UHFFFAOYSA-N 0 3 240.307 0.202 20 0 BCADHN COC(=O)/C(C)=C/CN(C)CC1(CO)CC1 ZINC000782604274 585821773 /nfs/dbraw/zinc/82/17/73/585821773.db2.gz XUILHSKJJWJAAK-ONNFQVAWSA-N 0 3 227.304 0.810 20 0 BCADHN CCN(CC[C@@H]1CCOC1)CC(=O)NC ZINC000783526429 585836012 /nfs/dbraw/zinc/83/60/12/585836012.db2.gz LIHKGBJBXBDCJE-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN Cn1ccc(CN2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000783739540 585841702 /nfs/dbraw/zinc/84/17/02/585841702.db2.gz FTJUDFOJVLRPKY-NWDGAFQWSA-N 0 3 206.289 0.839 20 0 BCADHN CN(C)C1(CNC(=O)c2ncccn2)CCC1 ZINC000783752454 585842243 /nfs/dbraw/zinc/84/22/43/585842243.db2.gz DWQIJQXNCFPARX-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN CN(C)CCNC(=S)NCC[C@H]1CCOC1 ZINC000783778014 585843071 /nfs/dbraw/zinc/84/30/71/585843071.db2.gz UJRLUTXCCAALOS-JTQLQIEISA-N 0 3 245.392 0.439 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC000783796034 585843497 /nfs/dbraw/zinc/84/34/97/585843497.db2.gz SAYVNULERLLVFQ-CMPLNLGQSA-N 0 3 226.320 0.169 20 0 BCADHN CC[C@@H](C(=O)NCCN1CCC[C@@H]1C)N(C)C ZINC000783922867 585845641 /nfs/dbraw/zinc/84/56/41/585845641.db2.gz WNMRIUFUNAIWTI-RYUDHWBXSA-N 0 3 241.379 0.927 20 0 BCADHN CC(C)N(C)CC(=O)NCCN1CCC[C@@H]1C ZINC000783916926 585845797 /nfs/dbraw/zinc/84/57/97/585845797.db2.gz SRBFXNOUTUJYMK-LBPRGKRZSA-N 0 3 241.379 0.927 20 0 BCADHN Cc1cc(C(=O)NCCN2CCC[C@H]2C)ncn1 ZINC000783920303 585845802 /nfs/dbraw/zinc/84/58/02/585845802.db2.gz JTSJMXRWMLGWDE-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN CO[C@H]1CN(CCN2CCOC2=O)CC[C@H]1C ZINC000784366669 585857428 /nfs/dbraw/zinc/85/74/28/585857428.db2.gz PVBUNLBUMHTHQI-MNOVXSKESA-N 0 3 242.319 0.795 20 0 BCADHN CC(C)[C@H](F)C(=O)NCCOCCN(C)C ZINC000784461744 585860758 /nfs/dbraw/zinc/86/07/58/585860758.db2.gz LTJXIKLCCJNDGR-JTQLQIEISA-N 0 3 234.315 0.675 20 0 BCADHN CO[C@H](C)CNC(=S)NC1CCN(C)CC1 ZINC000785481974 585874515 /nfs/dbraw/zinc/87/45/15/585874515.db2.gz VVTJKIHEHWLGAD-SECBINFHSA-N 0 3 245.392 0.580 20 0 BCADHN COC(=O)/C(C)=C\CN(C[C@H](C)O)[C@@H](C)CO ZINC000785536206 585875107 /nfs/dbraw/zinc/87/51/07/585875107.db2.gz CRSSZCHCNHNUOH-ZUBHOKJJSA-N 0 3 245.319 0.169 20 0 BCADHN C[C@H](O)CN(CCC(=O)C1CC1)[C@@H](C)CO ZINC000785537220 585875634 /nfs/dbraw/zinc/87/56/34/585875634.db2.gz OTEPXMQIWRZBGB-UWVGGRQHSA-N 0 3 229.320 0.419 20 0 BCADHN CON(C)C(=O)CN1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000785545527 585875730 /nfs/dbraw/zinc/87/57/30/585875730.db2.gz HOEQHPMORUJWSH-DCAQKATOSA-N 0 3 244.335 0.488 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1cnn(C)n1 ZINC000786104501 585887552 /nfs/dbraw/zinc/88/75/52/585887552.db2.gz IXLURQBGJQWTJX-UHFFFAOYSA-N 0 3 239.323 0.229 20 0 BCADHN C[C@H](OC(=O)C1CCN(C)C1=O)C(F)F ZINC000786503172 585892860 /nfs/dbraw/zinc/89/28/60/585892860.db2.gz MPFHFOIEWPCNIJ-NTSWFWBYSA-N 0 3 221.203 0.662 20 0 BCADHN CN(C)CCn1cc(NC(=O)C(F)F)cn1 ZINC000787282944 585904509 /nfs/dbraw/zinc/90/45/09/585904509.db2.gz LGHXDEORUUHRIT-UHFFFAOYSA-N 0 3 232.234 0.648 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)C(F)F ZINC000787528857 585911055 /nfs/dbraw/zinc/91/10/55/585911055.db2.gz BGOZVVBNXKXFNJ-UHFFFAOYSA-N 0 3 206.236 0.804 20 0 BCADHN CON(C)C(=O)CCN[C@@H](C)c1cnn(C)c1 ZINC000787729397 585914995 /nfs/dbraw/zinc/91/49/95/585914995.db2.gz JCXBSEUSAAQUPV-VIFPVBQESA-N 0 3 240.307 0.481 20 0 BCADHN CON(C)C(=O)CCN[C@H](C)c1cnn(C)c1 ZINC000787729396 585915004 /nfs/dbraw/zinc/91/50/04/585915004.db2.gz JCXBSEUSAAQUPV-SECBINFHSA-N 0 3 240.307 0.481 20 0 BCADHN CN1CCC(n2ccc(NC(=O)CO)n2)CC1 ZINC000787771728 585915722 /nfs/dbraw/zinc/91/57/22/585915722.db2.gz VOUICWSLVLRCFM-UHFFFAOYSA-N 0 3 238.291 0.081 20 0 BCADHN COCCONC(=O)NCCN1CCCCC1 ZINC000788383643 585922317 /nfs/dbraw/zinc/92/23/17/585922317.db2.gz LRVFLNPTWARSAU-UHFFFAOYSA-N 0 3 245.323 0.350 20 0 BCADHN CN(C)C(=O)NCCN(C)C[C@@H]1CCC=CO1 ZINC000788445030 585923745 /nfs/dbraw/zinc/92/37/45/585923745.db2.gz DKYWNEZDHVLYTK-NSHDSACASA-N 0 3 241.335 0.882 20 0 BCADHN CC[C@H](N[C@H]1CCC(=O)NC1=O)[C@@H]1CCCO1 ZINC000788488968 585925678 /nfs/dbraw/zinc/92/56/78/585925678.db2.gz NECBDBRLSABDNM-GUBZILKMSA-N 0 3 240.303 0.339 20 0 BCADHN CC[C@H](N[C@@H]1CCC(=O)NC1=O)[C@H]1CCCO1 ZINC000788488971 585925721 /nfs/dbraw/zinc/92/57/21/585925721.db2.gz NECBDBRLSABDNM-IVZWLZJFSA-N 0 3 240.303 0.339 20 0 BCADHN C[C@H]1OCC[C@@]1(O)CNCc1ccc(F)nc1 ZINC000788534660 585926446 /nfs/dbraw/zinc/92/64/46/585926446.db2.gz HTUXEXBIAVRODH-BXKDBHETSA-N 0 3 240.278 0.850 20 0 BCADHN C[NH+]1CCC(C(=O)[N-]OC[C@H]2CCOC2)CC1 ZINC000788575072 585927329 /nfs/dbraw/zinc/92/73/29/585927329.db2.gz QAZVXRMVWSCAOR-JTQLQIEISA-N 0 3 242.319 0.413 20 0 BCADHN CN(C)CCNC(=S)NC[C@@H]1CC[C@@H](O)C1 ZINC000788680370 585928951 /nfs/dbraw/zinc/92/89/51/585928951.db2.gz NHUZIYQRADEZOP-NXEZZACHSA-N 0 3 245.392 0.173 20 0 BCADHN C[C@@H](CNC(=S)NC1(C)CC1)N(C)C ZINC000789183112 585936446 /nfs/dbraw/zinc/93/64/46/585936446.db2.gz HZBKFWQRKYIPMC-QMMMGPOBSA-N 0 3 215.366 0.953 20 0 BCADHN COCCONC(=O)NCC1=CCN(C)CC1 ZINC000789340078 585940613 /nfs/dbraw/zinc/94/06/13/585940613.db2.gz XVYZDGIUBORXBN-UHFFFAOYSA-N 0 3 243.307 0.126 20 0 BCADHN O=C(CCN1CC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000789354770 585941143 /nfs/dbraw/zinc/94/11/43/585941143.db2.gz MJKAFEFGKZOANE-CYBMUJFWSA-N 0 3 236.315 0.568 20 0 BCADHN COCC1(NC(=S)NCCN(C)C)CCC1 ZINC000789376105 585941798 /nfs/dbraw/zinc/94/17/98/585941798.db2.gz UCOVJXSAINGGTD-UHFFFAOYSA-N 0 3 245.392 0.581 20 0 BCADHN O=C1CN(CCN2CCCC2)CN1CC1CC1 ZINC000789383702 585941883 /nfs/dbraw/zinc/94/18/83/585941883.db2.gz RVNXIVRCKKTCIV-UHFFFAOYSA-N 0 3 237.347 0.594 20 0 BCADHN C[C@@H](O)CCCN1CCC2(CNC(=O)O2)CC1 ZINC000789417696 585942609 /nfs/dbraw/zinc/94/26/09/585942609.db2.gz BROFYIIXHGRUHZ-SNVBAGLBSA-N 0 3 242.319 0.722 20 0 BCADHN Cc1nn[nH]c1C(=O)NC[C@@H](C)N1CCCC1 ZINC000789936340 585954046 /nfs/dbraw/zinc/95/40/46/585954046.db2.gz VKEISIDCEJOPCO-MRVPVSSYSA-N 0 3 237.307 0.327 20 0 BCADHN Cc1nn[nH]c1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000789937486 585954316 /nfs/dbraw/zinc/95/43/16/585954316.db2.gz CQJDFSCKSDXPEZ-SNVBAGLBSA-N 0 3 249.318 0.327 20 0 BCADHN CC(C)=CCNC(=S)NCCN(C)C ZINC000790330092 585963812 /nfs/dbraw/zinc/96/38/12/585963812.db2.gz PMDIVRIZXSNNTC-UHFFFAOYSA-N 0 3 215.366 0.978 20 0 BCADHN C[C@@H]1C[C@@H]1CNC1(CO)COC(C)(C)OC1 ZINC000859279481 589026919 /nfs/dbraw/zinc/02/69/19/589026919.db2.gz AMBDITIYGJFYQX-NXEZZACHSA-N 0 3 229.320 0.746 20 0 BCADHN COC/C=C\C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000791348052 585978205 /nfs/dbraw/zinc/97/82/05/585978205.db2.gz BZJZUJQQLLBLDQ-UMCURTJPSA-N 0 3 226.320 0.788 20 0 BCADHN C[C@]1(O)CCCN(CC2OCCO2)CC1 ZINC000791632111 585985557 /nfs/dbraw/zinc/98/55/57/585985557.db2.gz MJCPMMOJLJBVMJ-NSHDSACASA-N 0 3 215.293 0.596 20 0 BCADHN COC(=O)[C@H]1CC[C@H](NCc2cnnn2C)C1 ZINC000792200019 585997329 /nfs/dbraw/zinc/99/73/29/585997329.db2.gz GHIXYEWCUIDQPG-IUCAKERBSA-N 0 3 238.291 0.246 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](NCc2cnnn2C)C1 ZINC000792200021 585997406 /nfs/dbraw/zinc/99/74/06/585997406.db2.gz GHIXYEWCUIDQPG-RKDXNWHRSA-N 0 3 238.291 0.246 20 0 BCADHN COC(=O)[C@@H]1CC[C@H](NCc2cnnn2C)C1 ZINC000792200017 585997483 /nfs/dbraw/zinc/99/74/83/585997483.db2.gz GHIXYEWCUIDQPG-BDAKNGLRSA-N 0 3 238.291 0.246 20 0 BCADHN COC(=O)[C@H]1CC[C@H](NCc2cnn(C)c2)C1 ZINC000792200454 585997767 /nfs/dbraw/zinc/99/77/67/585997767.db2.gz IPWCROBILKUTSH-QWRGUYRKSA-N 0 3 237.303 0.851 20 0 BCADHN C[C@@]1(O)CCN(C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000792238283 585998461 /nfs/dbraw/zinc/99/84/61/585998461.db2.gz ZXJLYPAQGZWBBE-ZYHUDNBSSA-N 0 3 239.315 0.929 20 0 BCADHN C[C@@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)C[C@H]1O ZINC000792269124 585998565 /nfs/dbraw/zinc/99/85/65/585998565.db2.gz PHIVGHYYBKOTSF-GMTAPVOTSA-N 0 3 239.315 0.785 20 0 BCADHN CSCCONC(=O)NC[C@H]1CCCN1C ZINC000792919692 586006771 /nfs/dbraw/zinc/00/67/71/586006771.db2.gz LVVGCLGMJPVSPH-SECBINFHSA-N 0 3 247.364 0.674 20 0 BCADHN CON(C)C(=O)CN1CC[C@]2(C1)CCCOC2 ZINC000792941210 586007500 /nfs/dbraw/zinc/00/75/00/586007500.db2.gz TVMVPKBWZNZXQL-LBPRGKRZSA-N 0 3 242.319 0.509 20 0 BCADHN C[C@H]1CCN(CCNC(=O)CC2OCCO2)C1 ZINC000793597675 586023781 /nfs/dbraw/zinc/02/37/81/586023781.db2.gz WSTWHCPZORGEHT-JTQLQIEISA-N 0 3 242.319 0.207 20 0 BCADHN CC(C)[C@@H](NCC(N)=O)[C@H](O)c1ccccc1 ZINC000794599713 586045358 /nfs/dbraw/zinc/04/53/58/586045358.db2.gz HMYQGTYZBFUHQS-CHWSQXEVSA-N 0 3 236.315 0.820 20 0 BCADHN CN(C)CCNC(=O)/C=C\c1cnn(C)c1 ZINC000794733347 586047580 /nfs/dbraw/zinc/04/75/80/586047580.db2.gz DLNMBBJCJDSCIA-PLNGDYQASA-N 0 3 222.292 0.111 20 0 BCADHN Cc1nsc(C(=O)N(C)CCN(C)C)n1 ZINC000794746877 586048242 /nfs/dbraw/zinc/04/82/42/586048242.db2.gz SINWLRNXCYPKHD-UHFFFAOYSA-N 0 3 228.321 0.480 20 0 BCADHN O=C1CC[C@H](N2CCC(C3CC3)CC2)C(=O)N1 ZINC000794893390 586053276 /nfs/dbraw/zinc/05/32/76/586053276.db2.gz HRKSEEPVOJBETP-NSHDSACASA-N 0 3 236.315 0.914 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2CCC(=O)C2CC2)C1 ZINC000794951054 586057249 /nfs/dbraw/zinc/05/72/49/586057249.db2.gz ARDLQWZYLNYVLH-RYUDHWBXSA-N 0 3 222.332 0.992 20 0 BCADHN CC(C)COC(=O)CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000794949716 586057403 /nfs/dbraw/zinc/05/74/03/586057403.db2.gz RPFKIJTTXMXZNB-RYUDHWBXSA-N 0 3 240.347 0.822 20 0 BCADHN COC[C@H](C)N1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794964716 586058752 /nfs/dbraw/zinc/05/87/52/586058752.db2.gz SPJBBHYSCWUPIV-AXTSPUMRSA-N 0 3 213.277 0.372 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCc3cnn(C)c3)C[C@@H]21 ZINC000794964746 586058794 /nfs/dbraw/zinc/05/87/94/586058794.db2.gz SXXKJVSCHCGQBX-GDNZZTSVSA-N 0 3 249.314 0.313 20 0 BCADHN C[C@@H]1CSC[C@H]1NC(=S)NCCN(C)C ZINC000795135418 586069170 /nfs/dbraw/zinc/06/91/70/586069170.db2.gz IBHYCLJINYYOMK-RKDXNWHRSA-N 0 3 247.433 0.764 20 0 BCADHN CO[C@@H](C)CN(C)CCc1cn(C)nn1 ZINC000859301369 589028912 /nfs/dbraw/zinc/02/89/12/589028912.db2.gz KQSFHYGTGURIPX-VIFPVBQESA-N 0 3 212.297 0.324 20 0 BCADHN CCN1CCN(CCC(=O)N(C)OC)[C@@H](C)C1 ZINC000796325770 586100696 /nfs/dbraw/zinc/10/06/96/586100696.db2.gz WKKYSRAHFNBTLV-NSHDSACASA-N 0 3 243.351 0.422 20 0 BCADHN OCCCCN1CCN(Cc2cnc[nH]2)CC1 ZINC000796449988 586103482 /nfs/dbraw/zinc/10/34/82/586103482.db2.gz ODGKQWYQKKIGMM-UHFFFAOYSA-N 0 3 238.335 0.300 20 0 BCADHN NC(=O)C[C@@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000796441224 586103497 /nfs/dbraw/zinc/10/34/97/586103497.db2.gz JJEPLZOCZJLHAU-VIFPVBQESA-N 0 3 222.292 0.497 20 0 BCADHN C[C@H]1OCC[C@@H]1N(CCO)CCC1OCCO1 ZINC000796581040 586107316 /nfs/dbraw/zinc/10/73/16/586107316.db2.gz UFVYPJYNPIYKIJ-MNOVXSKESA-N 0 3 245.319 0.221 20 0 BCADHN Cc1ccccc1[C@@H](O)CN(C)CCC(N)=O ZINC000796596337 586108178 /nfs/dbraw/zinc/10/81/78/586108178.db2.gz UDFYCECWLKTMLK-LBPRGKRZSA-N 0 3 236.315 0.836 20 0 BCADHN CO[C@H](C)CN(C)CCCCS(C)(=O)=O ZINC000796642654 586109121 /nfs/dbraw/zinc/10/91/21/586109121.db2.gz RTJMYBCNTZBUEY-SNVBAGLBSA-N 0 3 237.365 0.778 20 0 BCADHN CCN(CCc1cn(C)nn1)C[C@H](C)OC ZINC000859311921 589030441 /nfs/dbraw/zinc/03/04/41/589030441.db2.gz LNZXRZFGUAIZEM-JTQLQIEISA-N 0 3 226.324 0.714 20 0 BCADHN CC[C@@H]1OCC[C@H]1C(=O)N(C)CCN(C)C ZINC000796888252 586116077 /nfs/dbraw/zinc/11/60/77/586116077.db2.gz BOCBCMWOCYFOCZ-MNOVXSKESA-N 0 3 228.336 0.822 20 0 BCADHN Cc1cnc(COC(=O)C2CCN(C)C2=O)nc1 ZINC000808538026 586130588 /nfs/dbraw/zinc/13/05/88/586130588.db2.gz GTJNMTSJCRVORZ-VIFPVBQESA-N 0 3 249.270 0.307 20 0 BCADHN C[C@H](NCC(=O)NCC1CC1)c1cc[nH]c(=O)c1 ZINC000798182067 586138649 /nfs/dbraw/zinc/13/86/49/586138649.db2.gz AHKOVMVGWNMAEJ-VIFPVBQESA-N 0 3 249.314 0.964 20 0 BCADHN CC(=O)OC[C@@H](C)N[C@@H]1CCN(C(C)C)C1=O ZINC000798182904 586138870 /nfs/dbraw/zinc/13/88/70/586138870.db2.gz WJEVYLXDMVCSJR-MWLCHTKSSA-N 0 3 242.319 0.537 20 0 BCADHN COC1CCN(CC[S@](C)=O)CC1 ZINC000798194089 586139377 /nfs/dbraw/zinc/13/93/77/586139377.db2.gz UUSKAWVAJLERGC-ZDUSSCGKSA-N 0 3 205.323 0.476 20 0 BCADHN CN(CC[S@@](C)=O)[C@@H]1CCSC1 ZINC000798194811 586139551 /nfs/dbraw/zinc/13/95/51/586139551.db2.gz BPANCOAHBVUMCG-PRHODGIISA-N 0 3 207.364 0.802 20 0 BCADHN CN(C)[C@H]1CCCN(CC[S@](C)=O)C1 ZINC000798195647 586139939 /nfs/dbraw/zinc/13/99/39/586139939.db2.gz PAORQJXMIGMAOF-HZMBPMFUSA-N 0 3 218.366 0.391 20 0 BCADHN CN(CCCn1ccnc1)CC[S@](C)=O ZINC000798196921 586140083 /nfs/dbraw/zinc/14/00/83/586140083.db2.gz QYLQOGMKXGLQTR-HNNXBMFYSA-N 0 3 229.349 0.584 20 0 BCADHN C[S@@](=O)CCN1CCC(c2ncc[nH]2)CC1 ZINC000798196432 586140157 /nfs/dbraw/zinc/14/01/57/586140157.db2.gz KEYUMKLDQUCLKT-MRXNPFEDSA-N 0 3 241.360 0.968 20 0 BCADHN CC(=O)[N-]OCCC[NH+]1CCCCC1 ZINC000798221454 586141393 /nfs/dbraw/zinc/14/13/93/586141393.db2.gz 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ZINC000815123522 586667608 /nfs/dbraw/zinc/66/76/08/586667608.db2.gz BOOIRXMPQLNCLP-GFCCVEGCSA-N 0 3 237.351 0.779 20 0 BCADHN Cn1ncc(CN[C@@H]2CCC[C@H]3OCC[C@H]32)n1 ZINC000815130075 586668520 /nfs/dbraw/zinc/66/85/20/586668520.db2.gz QTNACTQUUDPWRA-QJPTWQEYSA-N 0 3 236.319 0.862 20 0 BCADHN COC[C@@H]1CCN1CCC(=O)N(C)OC ZINC000815128248 586668677 /nfs/dbraw/zinc/66/86/77/586668677.db2.gz TXXHESVSHLYIND-VIFPVBQESA-N 0 3 216.281 0.117 20 0 BCADHN Cn1ncc(CN[C@@H]2CCC[C@@H]3OCC[C@H]32)n1 ZINC000815130076 586668789 /nfs/dbraw/zinc/66/87/89/586668789.db2.gz QTNACTQUUDPWRA-TUAOUCFPSA-N 0 3 236.319 0.862 20 0 BCADHN COC(=O)CCN1CCC2(CC1)OCCCO2 ZINC000815155624 586670920 /nfs/dbraw/zinc/67/09/20/586670920.db2.gz UNOTWVXKEBTWQW-UHFFFAOYSA-N 0 3 243.303 0.779 20 0 BCADHN O=C1O[C@H](CN2CCC[C@H](O)CC2)CC12CC2 ZINC000815299237 586677983 /nfs/dbraw/zinc/67/79/83/586677983.db2.gz TVKHVSVYRUBYND-QWRGUYRKSA-N 0 3 239.315 0.929 20 0 BCADHN COc1ccncc1CNC1CCN(C=O)CC1 ZINC000815630043 586689868 /nfs/dbraw/zinc/68/98/68/586689868.db2.gz VNPHQXMOWQQMTG-UHFFFAOYSA-N 0 3 249.314 0.801 20 0 BCADHN Cc1ccnn1CC(=O)N(C)CCN(C)C ZINC000859807925 589062271 /nfs/dbraw/zinc/06/22/71/589062271.db2.gz NQMIIFHVQPQGCF-UHFFFAOYSA-N 0 3 224.308 0.212 20 0 BCADHN C[C@@H]1CC/C(=C/C(=O)N[C@@H](CO)CN(C)C)C1 ZINC000816617723 586744850 /nfs/dbraw/zinc/74/48/50/586744850.db2.gz HDALUIVFMRVLRG-QESQTXLRSA-N 0 3 240.347 0.772 20 0 BCADHN CCN(CC)CC(=O)NCc1ocnc1C ZINC000816710027 586759853 /nfs/dbraw/zinc/75/98/53/586759853.db2.gz XHVAGSQIPQFBTD-UHFFFAOYSA-N 0 3 225.292 0.941 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cccnc3F)[C@H]2C1 ZINC000816950575 586773569 /nfs/dbraw/zinc/77/35/69/586773569.db2.gz VNNAKEMTSXELHX-KOLCDFICSA-N 0 3 249.289 0.997 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC=CO2)C1 ZINC000816951790 586773868 /nfs/dbraw/zinc/77/38/68/586773868.db2.gz WKAWLUYZMRWVPB-SDDRHHMPSA-N 0 3 236.315 0.842 20 0 BCADHN CN(C[C@@H]1CCCN1C)[C@H]1CCCCNC1=O ZINC000817289645 586793274 /nfs/dbraw/zinc/79/32/74/586793274.db2.gz BCEPJWKRKWBDCD-RYUDHWBXSA-N 0 3 239.363 0.681 20 0 BCADHN CN(C[C@@H]1CCCN1C)CN1CCOC1=S ZINC000817374582 586799653 /nfs/dbraw/zinc/79/96/53/586799653.db2.gz SUHGLPOLLACBHE-JTQLQIEISA-N 0 3 243.376 0.587 20 0 BCADHN C[N@@H+]1CC[C@@H](C(=O)[N-]OCCC2CC2)C1 ZINC000817388305 586799954 /nfs/dbraw/zinc/79/99/54/586799954.db2.gz UZVWLEHPUHVPNN-SNVBAGLBSA-N 0 3 212.293 0.786 20 0 BCADHN C[N@H+]1CC[C@@H](C(=O)[N-]OCCC2CC2)C1 ZINC000817388305 586799956 /nfs/dbraw/zinc/79/99/56/586799956.db2.gz UZVWLEHPUHVPNN-SNVBAGLBSA-N 0 3 212.293 0.786 20 0 BCADHN CCCCC[C@H](NC(=O)[C@H](C)N)C(=O)OC ZINC000119247969 589253728 /nfs/dbraw/zinc/25/37/28/589253728.db2.gz VHHYRAHBOZHDHV-IUCAKERBSA-N 0 3 230.308 0.572 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)c1cnsn1 ZINC000817492655 586808125 /nfs/dbraw/zinc/80/81/25/586808125.db2.gz ZYVAKJXBDODZLT-MRVPVSSYSA-N 0 3 240.332 0.704 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)[C@H](O)C(C)(C)C ZINC000817679512 586817639 /nfs/dbraw/zinc/81/76/39/586817639.db2.gz TZNQVIDBKCAZNK-MNOVXSKESA-N 0 3 242.363 0.946 20 0 BCADHN C[S@](=O)CCN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859925844 589071147 /nfs/dbraw/zinc/07/11/47/589071147.db2.gz XGEUBUPUTHVNKL-RWSFTLGLSA-N 0 3 231.361 0.459 20 0 BCADHN COC(CN1C[C@@H]2CCC[C@]2(CO)C1)OC ZINC000859925490 589071170 /nfs/dbraw/zinc/07/11/70/589071170.db2.gz LFIJNDJEMIRBSO-CMPLNLGQSA-N 0 3 229.320 0.700 20 0 BCADHN CCC1(C(=O)N2CCNC(C)(C)C2)COC1 ZINC000817994810 586863351 /nfs/dbraw/zinc/86/33/51/586863351.db2.gz KIYZWZOQXVFNIU-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CCN1CC[C@H]2OCCN(C(=O)OC)[C@H]2C1 ZINC000818044922 586866400 /nfs/dbraw/zinc/86/64/00/586866400.db2.gz LRIYVUVHFDTWTD-VHSXEESVSA-N 0 3 228.292 0.548 20 0 BCADHN C/C=C/C(=O)N1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000818039234 586866837 /nfs/dbraw/zinc/86/68/37/586866837.db2.gz UGYXNWHYZLQBJD-UHOOHFNOSA-N 0 3 238.331 0.884 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1OCCc2ccccc21 ZINC000818122826 586876023 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/nfs/dbraw/zinc/89/42/95/586894295.db2.gz QYGKCDQLSVDXSA-UHFFFAOYSA-N 0 3 245.286 0.815 20 0 BCADHN CCNCC(=O)NCC1(C(=O)OCC)CCC1 ZINC000818501946 586895778 /nfs/dbraw/zinc/89/57/78/586895778.db2.gz WWGXIAHQQJXYAA-UHFFFAOYSA-N 0 3 242.319 0.446 20 0 BCADHN CCC[C@H](O)[C@@H](CO)Nc1cc(C)nc(N)n1 ZINC000840361065 586896155 /nfs/dbraw/zinc/89/61/55/586896155.db2.gz RFBPYJYENBZMEX-BDAKNGLRSA-N 0 3 240.307 0.301 20 0 BCADHN CCNCC(=O)N[C@@H](C)C(=O)N[C@@H](C)CC ZINC000818515086 586896477 /nfs/dbraw/zinc/89/64/77/586896477.db2.gz DWUWKWRBJTWQJX-IUCAKERBSA-N 0 3 229.324 0.015 20 0 BCADHN CC[C@H](C(=O)NC(C)(C)CC(=O)OC)N(C)C ZINC000840363247 586900211 /nfs/dbraw/zinc/90/02/11/586900211.db2.gz YRECLHSWTUMBOZ-SECBINFHSA-N 0 3 244.335 0.785 20 0 BCADHN CCNCC(=O)Nc1ccc(OC)c(N)c1 ZINC000818556599 586900923 /nfs/dbraw/zinc/90/09/23/586900923.db2.gz JJYYZYKUNXKVCV-UHFFFAOYSA-N 0 3 223.276 0.825 20 0 BCADHN CCC(=O)CCN(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859962608 589074185 /nfs/dbraw/zinc/07/41/85/589074185.db2.gz UJKKHJNNFOFGCS-DTORHVGOSA-N 0 3 212.293 0.551 20 0 BCADHN CCNCC(=O)Nc1cccc(-n2ccnn2)c1 ZINC000818604735 586905582 /nfs/dbraw/zinc/90/55/82/586905582.db2.gz LBBXOFBAOSVOFM-UHFFFAOYSA-N 0 3 245.286 0.815 20 0 BCADHN CCNCC(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000818608665 586905955 /nfs/dbraw/zinc/90/59/55/586905955.db2.gz KRHZOSRTHQVIGJ-UHFFFAOYSA-N 0 3 223.276 0.242 20 0 BCADHN CCNCC(=O)N[C@H](C)[C@@H](C)C(=O)OCC ZINC000818609083 586906109 /nfs/dbraw/zinc/90/61/09/586906109.db2.gz PZNMMWOVWMGHDE-RKDXNWHRSA-N 0 3 230.308 0.300 20 0 BCADHN CCNCC(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000818613457 586906332 /nfs/dbraw/zinc/90/63/32/586906332.db2.gz QBAUQARONGBVFT-JTQLQIEISA-N 0 3 237.307 0.051 20 0 BCADHN CN(C)CCn1nccc1NC(=O)C(F)F ZINC000818938651 586916229 /nfs/dbraw/zinc/91/62/29/586916229.db2.gz ZAOYEHXVDVYARZ-UHFFFAOYSA-N 0 3 232.234 0.648 20 0 BCADHN NC(=O)CCNCc1cccnc1-n1ccnc1 ZINC000818946692 586916582 /nfs/dbraw/zinc/91/65/82/586916582.db2.gz DXXXJCKDNBBLHS-UHFFFAOYSA-N 0 3 245.286 0.232 20 0 BCADHN Cc1ccc([C@@H](O)CNCC(=O)N(C)C)cc1 ZINC000818940667 586916949 /nfs/dbraw/zinc/91/69/49/586916949.db2.gz BEJLHNFQBIEXPR-LBPRGKRZSA-N 0 3 236.315 0.706 20 0 BCADHN C[C@@H](Cn1cncn1)NC[C@@H](O)c1ccccc1 ZINC000818980187 586920009 /nfs/dbraw/zinc/92/00/09/586920009.db2.gz AHFZJZIZTFPMGA-WCQYABFASA-N 0 3 246.314 0.990 20 0 BCADHN CC(C)N1C[C@@H](NC[C@H](O)C2CC2)CC1=O ZINC000818996462 586921449 /nfs/dbraw/zinc/92/14/49/586921449.db2.gz QXZVBIWDAAEHJZ-QWRGUYRKSA-N 0 3 226.320 0.356 20 0 BCADHN CN(C)CCNC(=O)/C=C\[C@@H]1CCCO1 ZINC000818997584 586922097 /nfs/dbraw/zinc/92/20/97/586922097.db2.gz GJSIGRXPFGWMBW-OMMCCPJFSA-N 0 3 212.293 0.399 20 0 BCADHN CN(NC(=S)NC1CCN(C)CC1)C1CC1 ZINC000819024030 586925181 /nfs/dbraw/zinc/92/51/81/586925181.db2.gz MJICDBMULHGLCN-UHFFFAOYSA-N 0 3 242.392 0.554 20 0 BCADHN Cc1ccc([C@H](O)CNCC[S@@](C)=O)cc1 ZINC000819035254 586926608 /nfs/dbraw/zinc/92/66/08/586926608.db2.gz WMTKQLLYQVGNSG-MLGOLLRUSA-N 0 3 241.356 0.997 20 0 BCADHN COC[C@@H](O)CNCCOc1cccnc1 ZINC000819070074 586928750 /nfs/dbraw/zinc/92/87/50/586928750.db2.gz UOURHQHKVIPQDT-JTQLQIEISA-N 0 3 226.276 0.057 20 0 BCADHN COC[C@H](O)CNCc1ccc([C@H](C)O)cc1 ZINC000819131266 586932513 /nfs/dbraw/zinc/93/25/13/586932513.db2.gz NEPZRBCQTCTSCT-GXFFZTMASA-N 0 3 239.315 0.837 20 0 BCADHN CS(=O)(=O)CCNCCc1cscn1 ZINC000819163268 586934985 /nfs/dbraw/zinc/93/49/85/586934985.db2.gz IPTADJGZCYXEFW-UHFFFAOYSA-N 0 3 234.346 0.320 20 0 BCADHN Cc1cc(C[C@@H](C)NCCS(C)(=O)=O)n[nH]1 ZINC000819178795 586935532 /nfs/dbraw/zinc/93/55/32/586935532.db2.gz UVNWTMBGPSPKMG-MRVPVSSYSA-N 0 3 245.348 0.283 20 0 BCADHN Cc1cc(C[C@@H](C)NCCS(C)(=O)=O)[nH]n1 ZINC000819178795 586935534 /nfs/dbraw/zinc/93/55/34/586935534.db2.gz UVNWTMBGPSPKMG-MRVPVSSYSA-N 0 3 245.348 0.283 20 0 BCADHN CC[C@H](NCCS(C)(=O)=O)[C@H]1CCCO1 ZINC000819190049 586937333 /nfs/dbraw/zinc/93/73/33/586937333.db2.gz ZDOHRFRQCHSITR-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CS(=O)(=O)CCN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000819271926 586945144 /nfs/dbraw/zinc/94/51/44/586945144.db2.gz XWJPPGNKQHAPJX-BRPSZJMVSA-N 0 3 203.307 0.419 20 0 BCADHN CN(C[C@@H](O)CNOC1CCOCC1)C1CC1 ZINC000819238702 586941720 /nfs/dbraw/zinc/94/17/20/586941720.db2.gz BWZLVLRIAAOESI-NSHDSACASA-N 0 3 244.335 0.142 20 0 BCADHN CON(C)C(=O)CCNC1CC(F)(F)C1 ZINC000819264117 586944628 /nfs/dbraw/zinc/94/46/28/586944628.db2.gz LRZKXJYCEWHSAD-UHFFFAOYSA-N 0 3 222.235 0.784 20 0 BCADHN C[C@H](NC[C@H](O)C1CC1)C1(S(C)(=O)=O)CC1 ZINC000819305626 586949685 /nfs/dbraw/zinc/94/96/85/586949685.db2.gz SIQDOZFXCMVDAC-WPRPVWTQSA-N 0 3 247.360 0.313 20 0 BCADHN CN(C[C@@H](O)CNOC/C=C/Cl)C1CC1 ZINC000819324499 586951595 /nfs/dbraw/zinc/95/15/95/586951595.db2.gz PTLCKYRQAIXZFG-FWYAXHSGSA-N 0 3 234.727 0.715 20 0 BCADHN O=S(=O)(CCNCC1(O)CCC1)C1CC1 ZINC000819368270 586957511 /nfs/dbraw/zinc/95/75/11/586957511.db2.gz FHBZEDSOJOKFDD-UHFFFAOYSA-N 0 3 233.333 0.068 20 0 BCADHN COC1([C@@H](C)NCCS(C)(=O)=O)CCC1 ZINC000819369242 586957699 /nfs/dbraw/zinc/95/76/99/586957699.db2.gz WQRVHKBVPSLBJU-SECBINFHSA-N 0 3 235.349 0.578 20 0 BCADHN CC[C@@H]1OCC[C@H]1NCCS(C)(=O)=O ZINC000819365963 586957957 /nfs/dbraw/zinc/95/79/57/586957957.db2.gz FUPNDQCHAYSVCM-BDAKNGLRSA-N 0 3 221.322 0.188 20 0 BCADHN CO[C@@H](CNCCS(C)(=O)=O)CC(C)C ZINC000819376549 586958694 /nfs/dbraw/zinc/95/86/94/586958694.db2.gz ZQWRRBPMHAQFFI-SNVBAGLBSA-N 0 3 237.365 0.682 20 0 BCADHN CCC(O)(CC)CN(C)[C@H]1CCC(=O)NC1=O ZINC000860066783 589078763 /nfs/dbraw/zinc/07/87/63/589078763.db2.gz YEXCTAMZCLLEBK-VIFPVBQESA-N 0 3 242.319 0.275 20 0 BCADHN Cc1cc(N2CCC[C@H](CO)[C@H]2C)nc(N)n1 ZINC000840388487 586978877 /nfs/dbraw/zinc/97/88/77/586978877.db2.gz UMOWFYCDUCAURW-NXEZZACHSA-N 0 3 236.319 0.964 20 0 BCADHN CN(C)C1(CNC(=O)/C=C/[C@@H]2CCCO2)CC1 ZINC000819577203 586979587 /nfs/dbraw/zinc/97/95/87/586979587.db2.gz XGKSFSMUTSXLON-QRGHLMKCSA-N 0 3 238.331 0.932 20 0 BCADHN CN(C)C1(CNC(=O)/C=C/[C@H]2CCCO2)CC1 ZINC000819577202 586979788 /nfs/dbraw/zinc/97/97/88/586979788.db2.gz XGKSFSMUTSXLON-MVIFTORASA-N 0 3 238.331 0.932 20 0 BCADHN CC[C@@H](C(=O)N[C@](C)(CO)C1CC1)N(C)C ZINC000840394053 586987455 /nfs/dbraw/zinc/98/74/55/586987455.db2.gz AEPBBDHEVKCLIN-CMPLNLGQSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)N[C@](C)(CO)C1CC1)N(C)C ZINC000840394056 586987499 /nfs/dbraw/zinc/98/74/99/586987499.db2.gz AEPBBDHEVKCLIN-ZYHUDNBSSA-N 0 3 228.336 0.604 20 0 BCADHN CCn1nc(C)c(CNc2cc(C)nc(N)n2)n1 ZINC000819935151 587003234 /nfs/dbraw/zinc/00/32/34/587003234.db2.gz PDFIBXAKLHJVTN-UHFFFAOYSA-N 0 3 247.306 0.899 20 0 BCADHN C[C@@H]1C[C@H](CO)CCN1C[C@@H]1CCC(=O)O1 ZINC000860092243 589080515 /nfs/dbraw/zinc/08/05/15/589080515.db2.gz ZCOVJQSYCYVILT-MXWKQRLJSA-N 0 3 227.304 0.785 20 0 BCADHN O=C1OCCN1CCN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860127851 589081143 /nfs/dbraw/zinc/08/11/43/589081143.db2.gz BXTRKQBVIYROBE-HBNTYKKESA-N 0 3 240.303 0.284 20 0 BCADHN COC(OC)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000820242366 587037382 /nfs/dbraw/zinc/03/73/82/587037382.db2.gz TVHWLKZDOQTORW-VHSXEESVSA-N 0 3 244.335 0.546 20 0 BCADHN COC(OC)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000820242365 587037708 /nfs/dbraw/zinc/03/77/08/587037708.db2.gz TVHWLKZDOQTORW-UWVGGRQHSA-N 0 3 244.335 0.546 20 0 BCADHN CN(C(=O)CN1CCCC1)[C@@H]1CCCN(C)C1 ZINC000820258338 587038680 /nfs/dbraw/zinc/03/86/80/587038680.db2.gz KZYIGANYWSKLTL-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN C[C@H](NC(=O)CN1CCCC1)c1nc[nH]n1 ZINC000820447623 587049704 /nfs/dbraw/zinc/04/97/04/587049704.db2.gz ZGHADLMWRBLDQR-QMMMGPOBSA-N 0 3 223.280 0.078 20 0 BCADHN C[C@H](NC(=O)C[NH+]1CCCC1)c1nnc[n-]1 ZINC000820447623 587049705 /nfs/dbraw/zinc/04/97/05/587049705.db2.gz ZGHADLMWRBLDQR-QMMMGPOBSA-N 0 3 223.280 0.078 20 0 BCADHN CC1(C)CN(C(=O)CN2CCCC2)CCN1 ZINC000820561560 587054979 /nfs/dbraw/zinc/05/49/79/587054979.db2.gz JJUZSQIZNKBERL-UHFFFAOYSA-N 0 3 225.336 0.293 20 0 BCADHN CC(C)(C)OCCN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860159239 589083692 /nfs/dbraw/zinc/08/36/92/589083692.db2.gz ANOPDBQDUAXKAU-NXEZZACHSA-N 0 3 227.304 0.906 20 0 BCADHN C[C@H](NC[C@@]1(O)CCSC1)c1cnnn1C ZINC000820812190 587074123 /nfs/dbraw/zinc/07/41/23/587074123.db2.gz FMUAXAGYQATZTD-WPRPVWTQSA-N 0 3 242.348 0.334 20 0 BCADHN C[C@H](NC[C@]1(O)CCSC1)c1cnnn1C ZINC000820812189 587074185 /nfs/dbraw/zinc/07/41/85/587074185.db2.gz FMUAXAGYQATZTD-WCBMZHEXSA-N 0 3 242.348 0.334 20 0 BCADHN C[C@H](N[C@@H]1CCc2n[nH]cc2C1)c1cnnn1C ZINC000820823418 587074644 /nfs/dbraw/zinc/07/46/44/587074644.db2.gz NCIKENPFIOQIPU-WCBMZHEXSA-N 0 3 246.318 0.746 20 0 BCADHN C[C@@H](N[C@H]1CCc2n[nH]cc2C1)c1cnnn1C ZINC000820823416 587075009 /nfs/dbraw/zinc/07/50/09/587075009.db2.gz NCIKENPFIOQIPU-SCZZXKLOSA-N 0 3 246.318 0.746 20 0 BCADHN CCC1(CC(=O)N2CCN3CC[C@H]2C3)COC1 ZINC000821020241 587088960 /nfs/dbraw/zinc/08/89/60/587088960.db2.gz BNVDBVDPSFAWAD-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN O=C(CN1CCCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000821024997 587089593 /nfs/dbraw/zinc/08/95/93/587089593.db2.gz FAWGSDPDFIELAE-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN CCC(=O)CCCN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166690 589085184 /nfs/dbraw/zinc/08/51/84/589085184.db2.gz QZEDSWDZXPYHDZ-MWLCHTKSSA-N 0 3 225.288 0.851 20 0 BCADHN Nc1cccc(CN2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000860167878 589085277 /nfs/dbraw/zinc/08/52/77/589085277.db2.gz MJTQAVUTDZLBOO-ZYHUDNBSSA-N 0 3 232.283 0.874 20 0 BCADHN CC(C)C(=O)CCN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166800 589085527 /nfs/dbraw/zinc/08/55/27/589085527.db2.gz VBIPUTIJSWKVHK-NXEZZACHSA-N 0 3 225.288 0.706 20 0 BCADHN CC1(C)OC[C@H](CN2C[C@@H]3COC(=O)[C@@H]3C2)O1 ZINC000860167939 589085588 /nfs/dbraw/zinc/08/55/88/589085588.db2.gz NKIQAXYZODALHW-KXUCPTDWSA-N 0 3 241.287 0.243 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000821248330 587103687 /nfs/dbraw/zinc/10/36/87/587103687.db2.gz XGOSCKFQQCMPCE-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN CC[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821293330 587105623 /nfs/dbraw/zinc/10/56/23/587105623.db2.gz KFKKZBKRYYSYKT-UHFFFAOYSA-N 0 3 233.275 0.985 20 0 BCADHN CC[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821293330 587105624 /nfs/dbraw/zinc/10/56/24/587105624.db2.gz KFKKZBKRYYSYKT-UHFFFAOYSA-N 0 3 233.275 0.985 20 0 BCADHN COC1CCN(C[C@H]2CCC(=O)O2)CC1 ZINC000821336883 587108670 /nfs/dbraw/zinc/10/86/70/587108670.db2.gz NJAOKQSYCNUOLE-SNVBAGLBSA-N 0 3 213.277 0.803 20 0 BCADHN CO[C@H]1CC[C@H](N(C)CC(=O)N(C)C)C1 ZINC000821347359 587110275 /nfs/dbraw/zinc/11/02/75/587110275.db2.gz FQVSYAAOMMNURU-UWVGGRQHSA-N 0 3 214.309 0.574 20 0 BCADHN CO[C@H]1CC[C@@H](N2CCNC(=O)CC2)C1 ZINC000821369499 587112586 /nfs/dbraw/zinc/11/25/86/587112586.db2.gz UZMKCSCHASZWLQ-ZJUUUORDSA-N 0 3 212.293 0.376 20 0 BCADHN CN(C[C@H]1CCC(=O)O1)C1(C(N)=O)CCCC1 ZINC000821396164 587116686 /nfs/dbraw/zinc/11/66/86/587116686.db2.gz GZQQGGWJPFNNFU-SECBINFHSA-N 0 3 240.303 0.422 20 0 BCADHN CN(CC(=O)NC1(CO)CCC1)CC(C)(C)C ZINC000821460254 587121239 /nfs/dbraw/zinc/12/12/39/587121239.db2.gz YBGPPVUIZUCZDG-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN CC1=NO[C@@H](C(=O)NC[C@@H](C)N(C)C)C1 ZINC000821522400 587121771 /nfs/dbraw/zinc/12/17/71/587121771.db2.gz ZYQAEAAWZNTLIM-RKDXNWHRSA-N 0 3 213.281 0.218 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)C(C)(C)C ZINC000821571175 587129504 /nfs/dbraw/zinc/12/95/04/587129504.db2.gz DEFRQMAUEAVAKM-ZETCQYMHSA-N 0 3 221.322 0.676 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000822150241 587156679 /nfs/dbraw/zinc/15/66/79/587156679.db2.gz DSZSNHNZPKKUQD-IJLUTSLNSA-N 0 3 240.347 0.962 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1O ZINC000822322140 587162205 /nfs/dbraw/zinc/16/22/05/587162205.db2.gz JQBCJYJGVNBJGS-GRYCIOLGSA-N 0 3 240.347 0.889 20 0 BCADHN C[N@@H+]1CC[C@H](CC(=O)[N-]OC[C@H]2CCOC2)C1 ZINC000822348100 587163988 /nfs/dbraw/zinc/16/39/88/587163988.db2.gz IXOWVQQZAPNCJD-MNOVXSKESA-N 0 3 242.319 0.413 20 0 BCADHN C[N@H+]1CC[C@H](CC(=O)[N-]OC[C@H]2CCOC2)C1 ZINC000822348100 587163989 /nfs/dbraw/zinc/16/39/89/587163989.db2.gz IXOWVQQZAPNCJD-MNOVXSKESA-N 0 3 242.319 0.413 20 0 BCADHN CCCCC[C@@H](O)C(=O)NC[C@@H](C)N(C)C ZINC000822460578 587169286 /nfs/dbraw/zinc/16/92/86/587169286.db2.gz IWWAUCGERRGTNB-GHMZBOCLSA-N 0 3 230.352 0.994 20 0 BCADHN CCCCC[C@H](O)C(=O)NC[C@@H](C)N(C)C ZINC000822460581 587169489 /nfs/dbraw/zinc/16/94/89/587169489.db2.gz IWWAUCGERRGTNB-MNOVXSKESA-N 0 3 230.352 0.994 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC000822787033 587185884 /nfs/dbraw/zinc/18/58/84/587185884.db2.gz CAXMWGSAOUBYRR-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000822787036 587185904 /nfs/dbraw/zinc/18/59/04/587185904.db2.gz CAXMWGSAOUBYRR-ZJUUUORDSA-N 0 3 212.293 0.233 20 0 BCADHN CC(C)(C)N1CC[C@H](N[C@H](CO)C2CC2)C1=O ZINC000822846216 587189390 /nfs/dbraw/zinc/18/93/90/587189390.db2.gz ZPCOKRUANZGDTO-WDEREUQCSA-N 0 3 240.347 0.746 20 0 BCADHN CCC[C@H](CC)C(=O)N[C@H](CO)CN(C)C ZINC000822933441 587193788 /nfs/dbraw/zinc/19/37/88/587193788.db2.gz HXXJDRZDCJZASM-QWRGUYRKSA-N 0 3 230.352 0.851 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cnc(Cl)n1C ZINC000822928193 587193911 /nfs/dbraw/zinc/19/39/11/587193911.db2.gz ZRPVAMFFUUMOGU-ZETCQYMHSA-N 0 3 244.726 0.753 20 0 BCADHN CN(C)C1(CNC(=O)CC2(C)COC2)CC1 ZINC000822931428 587194068 /nfs/dbraw/zinc/19/40/68/587194068.db2.gz MSRUNWGWKRMWMR-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@@H]1CN(C)CCN1C(=O)CN1CCCC1 ZINC000823199156 587208282 /nfs/dbraw/zinc/20/82/82/587208282.db2.gz YSLHHCDEXQKOPK-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCN1CCOC1=O ZINC000823200507 587208326 /nfs/dbraw/zinc/20/83/26/587208326.db2.gz XRGYADXMRMQKLQ-LLVKDONJSA-N 0 3 241.335 0.465 20 0 BCADHN CCCN(C)Cc1nc(N2CCNCC2)no1 ZINC000823304071 587214701 /nfs/dbraw/zinc/21/47/01/587214701.db2.gz GVLKJCXVKDSQMY-UHFFFAOYSA-N 0 3 239.323 0.321 20 0 BCADHN CCN(CC)Cc1nc(N2CCNCC2)no1 ZINC000823304328 587214828 /nfs/dbraw/zinc/21/48/28/587214828.db2.gz RGJKTAIUHQECNK-UHFFFAOYSA-N 0 3 239.323 0.321 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)CC1(O)CCC1 ZINC000823306746 587215443 /nfs/dbraw/zinc/21/54/43/587215443.db2.gz YIXTVLMDGGOVIR-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1cc(-c2nc(N3CCNCC3)no2)ncn1 ZINC000823334168 587216697 /nfs/dbraw/zinc/21/66/97/587216697.db2.gz BECQGMYLWRBAFI-UHFFFAOYSA-N 0 3 246.274 0.245 20 0 BCADHN O[C@H](CN1CCC[C@H](n2ccnn2)C1)C1CC1 ZINC000823468920 587224733 /nfs/dbraw/zinc/22/47/33/587224733.db2.gz LNWBWGGJZYTZMI-NWDGAFQWSA-N 0 3 236.319 0.686 20 0 BCADHN CON(C)C(=O)CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000823570321 587231368 /nfs/dbraw/zinc/23/13/68/587231368.db2.gz ZBDVZFDYGFONAM-AXFHLTTASA-N 0 3 242.319 0.099 20 0 BCADHN CCn1nc(C)c(CN[C@H]2CCCN(C)C2)n1 ZINC000823698695 587236676 /nfs/dbraw/zinc/23/66/76/587236676.db2.gz XGYCTDIZUNPNEV-NSHDSACASA-N 0 3 237.351 0.790 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H](CO)CCF ZINC000824053119 587252274 /nfs/dbraw/zinc/25/22/74/587252274.db2.gz OWHBMJMHRIWMOK-MNOVXSKESA-N 0 3 246.326 0.696 20 0 BCADHN CCn1nc(C)c(CN2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000824426677 587269850 /nfs/dbraw/zinc/26/98/50/587269850.db2.gz CCLZTFDVZNMYDB-AAEUAGOBSA-N 0 3 249.362 0.742 20 0 BCADHN CCn1nc(C)c(CN2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000824426679 587270157 /nfs/dbraw/zinc/27/01/57/587270157.db2.gz CCLZTFDVZNMYDB-WCQYABFASA-N 0 3 249.362 0.742 20 0 BCADHN C[C@@H]1CN(Cc2cnn(C)n2)CCN(C2CC2)C1 ZINC000824445686 587271120 /nfs/dbraw/zinc/27/11/20/587271120.db2.gz KLWLZUYIIJACJX-LLVKDONJSA-N 0 3 249.362 0.731 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)NC/C=C\CO ZINC000824941244 587294068 /nfs/dbraw/zinc/29/40/68/587294068.db2.gz MUQZJSMMMYLSEN-BYCRGOAPSA-N 0 3 226.320 0.524 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NC/C=C/CO ZINC000824941246 587294220 /nfs/dbraw/zinc/29/42/20/587294220.db2.gz MUQZJSMMMYLSEN-PGLGOXFNSA-N 0 3 226.320 0.524 20 0 BCADHN C[C@@H](CCNC(=O)c1cc(=O)cc[nH]1)N(C)C ZINC000824958256 587294861 /nfs/dbraw/zinc/29/48/61/587294861.db2.gz UBZLBDSRDJDKCW-VIFPVBQESA-N 0 3 237.303 0.445 20 0 BCADHN COC(=O)N1CC(N[C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000825357584 587316725 /nfs/dbraw/zinc/31/67/25/587316725.db2.gz IBJLGJWFEBBKKC-MWLCHTKSSA-N 0 3 240.303 0.594 20 0 BCADHN CC1=NO[C@@H](C(=O)N(C)CCN2CCCC2)C1 ZINC000826024059 587348676 /nfs/dbraw/zinc/34/86/76/587348676.db2.gz PLBDAKNYLUNLRA-LLVKDONJSA-N 0 3 239.319 0.705 20 0 BCADHN CC1=NO[C@H](C(=O)N(C)CCN2CCCC2)C1 ZINC000826024060 587348796 /nfs/dbraw/zinc/34/87/96/587348796.db2.gz PLBDAKNYLUNLRA-NSHDSACASA-N 0 3 239.319 0.705 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@@H]1CC(C)=NO1 ZINC000826539732 587354492 /nfs/dbraw/zinc/35/44/92/587354492.db2.gz YMBBTPRGTNAGRG-NSHDSACASA-N 0 3 241.335 0.951 20 0 BCADHN CCN1CCCN(C(=O)Cc2ncc[nH]2)CC1 ZINC000826901941 587364944 /nfs/dbraw/zinc/36/49/44/587364944.db2.gz FDOOFTVAKRKOIY-UHFFFAOYSA-N 0 3 236.319 0.506 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@@H]1CCC=CO1 ZINC000826962677 587366843 /nfs/dbraw/zinc/36/68/43/587366843.db2.gz MXJPXYZHIIQJOX-GARJFASQSA-N 0 3 241.287 0.599 20 0 BCADHN CC(C)C1(C(=O)NC[C@H]2CCCN2C)COC1 ZINC000827137409 587370753 /nfs/dbraw/zinc/37/07/53/587370753.db2.gz XWMXPYRVNLSDBI-LLVKDONJSA-N 0 3 240.347 0.869 20 0 BCADHN CC[NH+]1CCC(NCCN(C)C(=O)[O-])CC1 ZINC000827214473 587373102 /nfs/dbraw/zinc/37/31/02/587373102.db2.gz GCZVXEDIVBDQFV-UHFFFAOYSA-N 0 3 229.324 0.670 20 0 BCADHN COC[C@@H](C)CN(C)CCN(C)C(=O)OC ZINC000827340615 587377731 /nfs/dbraw/zinc/37/77/31/587377731.db2.gz MHTGXJZPLWNTMY-JTQLQIEISA-N 0 3 232.324 0.899 20 0 BCADHN C[C@H](COc1ccccc1)NC(=O)[C@H](C)N ZINC000827414765 587380399 /nfs/dbraw/zinc/38/03/99/587380399.db2.gz HOLVPHZDWLBJNT-ZJUUUORDSA-N 0 3 222.288 0.917 20 0 BCADHN CNCC(=O)N[C@@H](C)COc1ccccc1 ZINC000827418919 587380722 /nfs/dbraw/zinc/38/07/22/587380722.db2.gz NVYUZPRRJRAEEJ-JTQLQIEISA-N 0 3 222.288 0.790 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](O)C1 ZINC000827508231 587384865 /nfs/dbraw/zinc/38/48/65/587384865.db2.gz KVJQFTNEGQBWRK-GRYCIOLGSA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@](C)(O)C(=O)NC[C@@H]1CCCN1C ZINC000827625941 587392987 /nfs/dbraw/zinc/39/29/87/587392987.db2.gz QWRCLGMXUNTLLA-ONGXEEELSA-N 0 3 214.309 0.358 20 0 BCADHN COC(=O)CC1CCN(CC[S@](C)=O)CC1 ZINC000827808870 587403569 /nfs/dbraw/zinc/40/35/69/587403569.db2.gz RYDOGLOKKCJFLT-INIZCTEOSA-N 0 3 247.360 0.640 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CO)C1 ZINC000827864490 587405846 /nfs/dbraw/zinc/40/58/46/587405846.db2.gz MZRPHKOWVCVPAX-GRYCIOLGSA-N 0 3 240.347 0.746 20 0 BCADHN C[S@@](=O)CCN1CCCC[C@@H]1CC(N)=O ZINC000827870196 587406145 /nfs/dbraw/zinc/40/61/45/587406145.db2.gz CUQJDPFONJWILS-RFAUZJTJSA-N 0 3 232.349 0.095 20 0 BCADHN C[S@](=O)CCN1CCC(n2cccn2)CC1 ZINC000827913635 587409159 /nfs/dbraw/zinc/40/91/59/587409159.db2.gz FIGDNIVKQGQSSZ-INIZCTEOSA-N 0 3 241.360 0.899 20 0 BCADHN C[C@H](NC1CC1)C(=O)Nc1ccc[nH]c1=O ZINC000827947238 587412604 /nfs/dbraw/zinc/41/26/04/587412604.db2.gz LGAONITVRHBSLT-ZETCQYMHSA-N 0 3 221.260 0.866 20 0 BCADHN COC[C@H]1CCCN1CC[S@](C)=O ZINC000827976063 587414666 /nfs/dbraw/zinc/41/46/66/587414666.db2.gz OJUYHPFXRHXSNY-RNCFNFMXSA-N 0 3 205.323 0.476 20 0 BCADHN C[S@](=O)CCN1CCC[C@@H]2COCC[C@H]21 ZINC000827989945 587415626 /nfs/dbraw/zinc/41/56/26/587415626.db2.gz DJIVQEYXFKQSCB-HFAKWTLXSA-N 0 3 231.361 0.866 20 0 BCADHN C[NH+](C)CCCN[C@H]1CCN(C(=O)[O-])C1 ZINC000828023897 587417044 /nfs/dbraw/zinc/41/70/44/587417044.db2.gz HTZXIIMSIKNVMC-VIFPVBQESA-N 0 3 215.297 0.280 20 0 BCADHN COc1cccnc1NC(=O)[C@]1(F)CCNC1 ZINC000828049086 587417538 /nfs/dbraw/zinc/41/75/38/587417538.db2.gz LALLMXMXTLGWDA-NSHDSACASA-N 0 3 239.250 0.730 20 0 BCADHN [NH3+][C@@H](CC(=O)[N-]O[C@@H]1CCCCO1)C1CC1 ZINC000828062325 587418122 /nfs/dbraw/zinc/41/81/22/587418122.db2.gz GZENWXSEJNRANC-GXSJLCMTSA-N 0 3 228.292 0.688 20 0 BCADHN [NH3+][C@H](CC(=O)[N-]O[C@@H]1CCCCO1)C1CC1 ZINC000828062327 587418188 /nfs/dbraw/zinc/41/81/88/587418188.db2.gz GZENWXSEJNRANC-MWLCHTKSSA-N 0 3 228.292 0.688 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NC1(C)COC1 ZINC000828137645 587421152 /nfs/dbraw/zinc/42/11/52/587421152.db2.gz YKLFRNLBCCOTTH-SNVBAGLBSA-N 0 3 226.320 0.764 20 0 BCADHN CCCONC(=O)NCCN(C)CCOC ZINC000828263061 587428932 /nfs/dbraw/zinc/42/89/32/587428932.db2.gz KHBMJBYUJCIPOK-UHFFFAOYSA-N 0 3 233.312 0.205 20 0 BCADHN CCCONC(=O)NCCN(C)C1CC1 ZINC000828268215 587429576 /nfs/dbraw/zinc/42/95/76/587429576.db2.gz FTOYHNWGLYMBOE-UHFFFAOYSA-N 0 3 215.297 0.721 20 0 BCADHN CN(CCN(C)C1CC1)CC[S@](C)=O ZINC000828283751 587431409 /nfs/dbraw/zinc/43/14/09/587431409.db2.gz ZCIQKCQFBXPFLC-AWEZNQCLSA-N 0 3 218.366 0.391 20 0 BCADHN CC(C)CC(=O)CCN1C[C@H](O)C[C@H]1CO ZINC000828283332 587431431 /nfs/dbraw/zinc/43/14/31/587431431.db2.gz QSCMMMJPNSBXGF-CMPLNLGQSA-N 0 3 229.320 0.419 20 0 BCADHN CC(C)CC(=O)CCN1C[C@@H](O)C[C@H]1CO ZINC000828283334 587431479 /nfs/dbraw/zinc/43/14/79/587431479.db2.gz QSCMMMJPNSBXGF-JQWIXIFHSA-N 0 3 229.320 0.419 20 0 BCADHN CN(CC[S@@](C)=O)[C@H]1CC[C@H](O)CC1 ZINC000828389568 587439322 /nfs/dbraw/zinc/43/93/22/587439322.db2.gz LLIFHVJSWIEWGG-GPCCPHFNSA-N 0 3 219.350 0.600 20 0 BCADHN CC[C@]1(CO)CCCN1CC[S@@](C)=O ZINC000828388979 587439343 /nfs/dbraw/zinc/43/93/43/587439343.db2.gz AQDLQQYCDRNRJI-QMTHXVAHSA-N 0 3 219.350 0.602 20 0 BCADHN COC(=O)[C@@H]1CCN(CC[S@@](C)=O)[C@H]1C ZINC000828408949 587440449 /nfs/dbraw/zinc/44/04/49/587440449.db2.gz VSVWDTKZQMNEST-IQMYEBEASA-N 0 3 233.333 0.248 20 0 BCADHN COCC[C@@]1(NCC[S@](C)=O)CCOC1 ZINC000828439400 587442467 /nfs/dbraw/zinc/44/24/67/587442467.db2.gz GWRAKFXMVQPIKR-BMIGLBTASA-N 0 3 235.349 0.150 20 0 BCADHN CO[C@@H]1CCN(CC[S@@](C)=O)[C@@H](C)C1 ZINC000828463164 587444246 /nfs/dbraw/zinc/44/42/46/587444246.db2.gz ZCWTURRWJFAUOJ-IMSIIYSGSA-N 0 3 219.350 0.864 20 0 BCADHN CCC[C@]1(CO)CCN(CC[S@@](C)=O)C1 ZINC000828550119 587450449 /nfs/dbraw/zinc/45/04/49/587450449.db2.gz QCZOGEVKWYRBNV-XHDPSFHLSA-N 0 3 233.377 0.849 20 0 BCADHN CS[C@@H]1CCN(CC[S@](C)=O)C1 ZINC000828587425 587452376 /nfs/dbraw/zinc/45/23/76/587452376.db2.gz HXGRTFRGZWZPLE-PELKAZGASA-N 0 3 207.364 0.802 20 0 BCADHN C[S@](=O)CCN1CCCC[C@@H]1C1(O)CC1 ZINC000828615333 587453879 /nfs/dbraw/zinc/45/38/79/587453879.db2.gz PHKJGMFSCRHOAS-BMIGLBTASA-N 0 3 231.361 0.744 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H](O)C1 ZINC000828844089 587465983 /nfs/dbraw/zinc/46/59/83/587465983.db2.gz KVJQFTNEGQBWRK-SRVKXCTJSA-N 0 3 240.347 0.746 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@@H]1NCC1(C)C ZINC000828883485 587468670 /nfs/dbraw/zinc/46/86/70/587468670.db2.gz NOBZLFHIVXTUBB-JTQLQIEISA-N 0 3 242.319 0.444 20 0 BCADHN O=C(NCCc1cscn1)[C@]1(F)CCNC1 ZINC000828974862 587477115 /nfs/dbraw/zinc/47/71/15/587477115.db2.gz YHEFAQMECHYCJL-JTQLQIEISA-N 0 3 243.307 0.503 20 0 BCADHN C[C@@H]1CC[C@](CO)(N(C)CC[S@@](C)=O)C1 ZINC000828992748 587478121 /nfs/dbraw/zinc/47/81/21/587478121.db2.gz YPPZMZLEIRBTSK-JRPNMDOOSA-N 0 3 233.377 0.848 20 0 BCADHN CN(C)CC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829085234 587482570 /nfs/dbraw/zinc/48/25/70/587482570.db2.gz YCLNUVWTVTWBHM-UHFFFAOYSA-N 0 3 248.330 0.735 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N1CC=C[C@@H]1CO ZINC000829471574 587499102 /nfs/dbraw/zinc/49/91/02/587499102.db2.gz QUHMLZJXAVCBDF-VXGBXAGGSA-N 0 3 238.331 0.619 20 0 BCADHN CC1=NO[C@H](C(=O)N(C)CCN(C)C)C1 ZINC000829518150 587501436 /nfs/dbraw/zinc/50/14/36/587501436.db2.gz WJTHYJZFGSFBMM-VIFPVBQESA-N 0 3 213.281 0.171 20 0 BCADHN C[S@@](=O)CCN1CCCCC[C@@H]1CCO ZINC000829536056 587502467 /nfs/dbraw/zinc/50/24/67/587502467.db2.gz NDHCHINPQOFLSG-IAQYHMDHSA-N 0 3 233.377 0.992 20 0 BCADHN C[C@@H](C(=O)N1CC=C(N)N1)N1CCCCCC1 ZINC000829831483 587521142 /nfs/dbraw/zinc/52/11/42/587521142.db2.gz NGXRBZZJZVEGOS-JTQLQIEISA-N 0 3 238.335 0.398 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1nonc1C ZINC000829866394 587526121 /nfs/dbraw/zinc/52/61/21/587526121.db2.gz ZLBYFPWIDRHFJA-MUWHJKNJSA-N 0 3 226.280 0.368 20 0 BCADHN CC[C@@H](N)C(=O)NCCNc1ccccc1 ZINC000830007712 587531734 /nfs/dbraw/zinc/53/17/34/587531734.db2.gz ZUCBKSMNSBPNTI-LLVKDONJSA-N 0 3 221.304 0.952 20 0 BCADHN COCCN1[C@H](C)CN(CC[C@@H](C)O)C[C@@H]1C ZINC000830074716 587534732 /nfs/dbraw/zinc/53/47/32/587534732.db2.gz OETRUWWESOXRAP-FRRDWIJNSA-N 0 3 244.379 0.798 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)COC(F)(F)F)CCN1C ZINC000830111302 587536180 /nfs/dbraw/zinc/53/61/80/587536180.db2.gz MCOOQOXFANNPDJ-RQJHMYQMSA-N 0 3 240.225 0.732 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)/C=C/c2cn(C)cn2)CCN1C ZINC000830111163 587536203 /nfs/dbraw/zinc/53/62/03/587536203.db2.gz LWWUBNXOOQGEJG-PRANIUCASA-N 0 3 248.330 0.642 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCN1C ZINC000830136070 587538223 /nfs/dbraw/zinc/53/82/23/587538223.db2.gz VELXOEXQUWXXNH-NWDGAFQWSA-N 0 3 239.363 0.680 20 0 BCADHN COc1ccc(NC(=O)[C@]2(F)CCNC2)nc1 ZINC000830591192 587559393 /nfs/dbraw/zinc/55/93/93/587559393.db2.gz BPTVINIKJOHRLN-NSHDSACASA-N 0 3 239.250 0.730 20 0 BCADHN Cc1nsc(NC(=O)[C@@]2(F)CCNC2)n1 ZINC000830689550 587564065 /nfs/dbraw/zinc/56/40/65/587564065.db2.gz RQOJIQZROWLDFA-MRVPVSSYSA-N 0 3 230.268 0.487 20 0 BCADHN CS[C@H]1CCN(CC2OCCO2)C1 ZINC000830890239 587575214 /nfs/dbraw/zinc/57/52/14/587575214.db2.gz XLFZTMWUYIVERI-QMMMGPOBSA-N 0 3 203.307 0.797 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1CC[C@@H]1CCOC1=O ZINC000831003884 587581453 /nfs/dbraw/zinc/58/14/53/587581453.db2.gz JNAWNLROYWPIQX-GMTAPVOTSA-N 0 3 227.304 0.785 20 0 BCADHN CCN(CCO)CCNC(=O)OC1CCCC1 ZINC000831125506 587587094 /nfs/dbraw/zinc/58/70/94/587587094.db2.gz BUJDAEIQGBBGOJ-UHFFFAOYSA-N 0 3 244.335 0.969 20 0 BCADHN CNCC(=O)NCCCc1c(C)noc1C ZINC000831143589 587587520 /nfs/dbraw/zinc/58/75/20/587587520.db2.gz UVCXELTUTHHUNQ-UHFFFAOYSA-N 0 3 225.292 0.560 20 0 BCADHN CC[C@H](C[C@@H](C)O)NC(=O)CN(CC)CC ZINC000831257490 587594304 /nfs/dbraw/zinc/59/43/04/587594304.db2.gz BCVJHRBPYSKEOS-GHMZBOCLSA-N 0 3 230.352 0.994 20 0 BCADHN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1N ZINC000831291416 587596162 /nfs/dbraw/zinc/59/61/62/587596162.db2.gz NAPSNUKJSSZUBD-USWWRNFRSA-N 0 3 248.330 0.739 20 0 BCADHN NCc1cccc(C(=O)NCC2(CO)CC2)c1 ZINC000831318327 587598112 /nfs/dbraw/zinc/59/81/12/587598112.db2.gz RBPKPRDDUAKJGV-UHFFFAOYSA-N 0 3 234.299 0.648 20 0 BCADHN CO[C@H]1C[C@H](NCC2OCCO2)C1(C)C ZINC000831339816 587599589 /nfs/dbraw/zinc/59/95/89/587599589.db2.gz XAEYOJFBBSOGLH-IUCAKERBSA-N 0 3 215.293 0.762 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000831528655 587617264 /nfs/dbraw/zinc/61/72/64/587617264.db2.gz TYXASISSCVURIG-ZYHUDNBSSA-N 0 3 244.310 0.571 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000831528654 587617363 /nfs/dbraw/zinc/61/73/63/587617363.db2.gz TYXASISSCVURIG-PWSUYJOCSA-N 0 3 244.310 0.571 20 0 BCADHN C[C@H]1CN(C(=O)c2ccc[n+]([O-])c2)[C@@H](C)CN1 ZINC000831540049 587617864 /nfs/dbraw/zinc/61/78/64/587617864.db2.gz FWHLGKOINZJJEA-UWVGGRQHSA-N 0 3 235.287 0.142 20 0 BCADHN CCO[C@H](CNC(=O)[C@H](C)N(C)C)CN(C)C ZINC000831708664 587628293 /nfs/dbraw/zinc/62/82/93/587628293.db2.gz UDKDCMFCLLTYIL-WDEREUQCSA-N 0 3 245.367 0.019 20 0 BCADHN CCCOC(=O)[C@H](C)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000831723841 587629076 /nfs/dbraw/zinc/62/90/76/587629076.db2.gz RANVFSBUCDRDFM-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN Cc1nonc1CN1C[C@H]2CCN(C)[C@H]2C1 ZINC000831728329 587629384 /nfs/dbraw/zinc/62/93/84/587629384.db2.gz FXVMKOPCEREACV-KOLCDFICSA-N 0 3 222.292 0.514 20 0 BCADHN CCO[C@@H](CNC(=O)C1=COCC1)CN(C)C ZINC000831751365 587629505 /nfs/dbraw/zinc/62/95/05/587629505.db2.gz JGEJHIGYYCSOBK-NSHDSACASA-N 0 3 242.319 0.374 20 0 BCADHN CCO[C@H](CNC(=O)C1=COCC1)CN(C)C ZINC000831751364 587629575 /nfs/dbraw/zinc/62/95/75/587629575.db2.gz JGEJHIGYYCSOBK-LLVKDONJSA-N 0 3 242.319 0.374 20 0 BCADHN CCO[C@H](CNC(=O)C[C@@H](C)OC)CN(C)C ZINC000831751224 587629803 /nfs/dbraw/zinc/62/98/03/587629803.db2.gz GRWMCWTXMGSTMO-GHMZBOCLSA-N 0 3 246.351 0.494 20 0 BCADHN CCO[C@@H](CNC(=O)c1cc[nH]c1)CN(C)C ZINC000831751893 587629815 /nfs/dbraw/zinc/62/98/15/587629815.db2.gz RSMBXDGYUXKDKF-NSHDSACASA-N 0 3 239.319 0.711 20 0 BCADHN CCO[C@@H](CNC(=O)[C@@H](CC)OC)CN(C)C ZINC000831751377 587629994 /nfs/dbraw/zinc/62/99/94/587629994.db2.gz JLKIIRDNEZACQU-WDEREUQCSA-N 0 3 246.351 0.494 20 0 BCADHN CCO[C@@H](CNC(=O)CCCOC)CN(C)C ZINC000831758020 587630292 /nfs/dbraw/zinc/63/02/92/587630292.db2.gz UKQWXMJQALRWRD-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CCO[C@@H](CNC(=O)COC(C)C)CN(C)C ZINC000831756966 587630455 /nfs/dbraw/zinc/63/04/55/587630455.db2.gz MPXUSDLSCQMFGT-NSHDSACASA-N 0 3 246.351 0.494 20 0 BCADHN CCO[C@H](CNC(=O)[C@@H](C)SC)CN(C)C ZINC000831757968 587630507 /nfs/dbraw/zinc/63/05/07/587630507.db2.gz UDFMTERNJCWMPD-NXEZZACHSA-N 0 3 248.392 0.821 20 0 BCADHN CCO[C@H](CNC(=O)CSC)CN(C)C ZINC000831777383 587631315 /nfs/dbraw/zinc/63/13/15/587631315.db2.gz YLHOKVQBFMFPPA-SECBINFHSA-N 0 3 234.365 0.432 20 0 BCADHN CCCn1nccc1NC(=O)[C@@]1(F)CCNC1 ZINC000831822552 587633271 /nfs/dbraw/zinc/63/32/71/587633271.db2.gz JLBVOHAKWJVIAF-LLVKDONJSA-N 0 3 240.282 0.933 20 0 BCADHN O=C(NC1Cc2ccccc2C1)[C@]1(F)CCNC1 ZINC000831839874 587633751 /nfs/dbraw/zinc/63/37/51/587633751.db2.gz IKPDULQXKDMMCO-AWEZNQCLSA-N 0 3 248.301 0.972 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@](C)(N)CCC ZINC000831916039 587636555 /nfs/dbraw/zinc/63/65/55/587636555.db2.gz GHUXOWKLAFJDBT-GFCCVEGCSA-N 0 3 244.335 0.963 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1cnc(N)cn1 ZINC000831970232 587640440 /nfs/dbraw/zinc/64/04/40/587640440.db2.gz AJPLFODCKJANDW-VIFPVBQESA-N 0 3 249.318 0.273 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cc(Cl)n(C)n1 ZINC000832015996 587642847 /nfs/dbraw/zinc/64/28/47/587642847.db2.gz FXKHALRKNUFRMY-ZETCQYMHSA-N 0 3 244.726 0.753 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)C1CC(O)C1 ZINC000832109915 587645461 /nfs/dbraw/zinc/64/54/61/587645461.db2.gz VAVUBAZADQPHFT-RTBKNWGFSA-N 0 3 214.309 0.342 20 0 BCADHN CC[C@H](C)N1CCN(CC(=O)N(C)OC)CC1 ZINC000832187138 587649114 /nfs/dbraw/zinc/64/91/14/587649114.db2.gz IZWSMRBXCHTTRR-NSHDSACASA-N 0 3 243.351 0.422 20 0 BCADHN Nc1ccc(C(=O)N2CCC[NH2+]CC2)c([O-])c1 ZINC000832255583 587652657 /nfs/dbraw/zinc/65/26/57/587652657.db2.gz GHWZHNPFVVNUIA-UHFFFAOYSA-N 0 3 235.287 0.410 20 0 BCADHN Nc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)c([O-])c1 ZINC000832404554 587658199 /nfs/dbraw/zinc/65/81/99/587658199.db2.gz ZZIDOZSXURAGRN-MRVPVSSYSA-N 0 3 221.260 0.066 20 0 BCADHN Nc1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)c([O-])c1 ZINC000832451577 587660822 /nfs/dbraw/zinc/66/08/22/587660822.db2.gz CVUNOICUPGKROZ-SECBINFHSA-N 0 3 249.314 0.785 20 0 BCADHN CCC[C@@H](O)CCNC(=O)CN(C)CCC ZINC000832642566 587672737 /nfs/dbraw/zinc/67/27/37/587672737.db2.gz HPCRDAKBRUECIX-LLVKDONJSA-N 0 3 230.352 0.996 20 0 BCADHN CC[C@@H](C(=O)NCC1OCCCO1)N(C)C ZINC000832782220 587689261 /nfs/dbraw/zinc/68/92/61/587689261.db2.gz QWBDCHXXACPYAY-VIFPVBQESA-N 0 3 230.308 0.206 20 0 BCADHN CN1CCN(C(=O)C=C2CCCC2)[C@@H](CN)C1 ZINC000834298982 587750829 /nfs/dbraw/zinc/75/08/29/587750829.db2.gz FZUOZSOIIYDXNO-LBPRGKRZSA-N 0 3 237.347 0.588 20 0 BCADHN Nc1ccc(C(=O)NCC2=CC[NH2+]CC2)c([O-])c1 ZINC000834543438 587759150 /nfs/dbraw/zinc/75/91/50/587759150.db2.gz QBVMRNWMHDSNDL-UHFFFAOYSA-N 0 3 247.298 0.624 20 0 BCADHN C/C=C(\C)C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000834563731 587759461 /nfs/dbraw/zinc/75/94/61/587759461.db2.gz FSRKDNMATVPHRT-KKNAONHISA-N 0 3 240.347 0.868 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1C[C@H](O)C1)N(CC)CC ZINC000834767457 587766525 /nfs/dbraw/zinc/76/65/25/587766525.db2.gz ZPNSCUSPFMPFAI-IJLUTSLNSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H](O)C1 ZINC000834773303 587766697 /nfs/dbraw/zinc/76/66/97/587766697.db2.gz GMTFUYJFBCMUPZ-SRVKXCTJSA-N 0 3 240.347 0.748 20 0 BCADHN CO[C@@H](C)CC(=O)N[C@H]1CNCCC1(F)F ZINC000834846246 587768420 /nfs/dbraw/zinc/76/84/20/587768420.db2.gz PWBOXKPAJQOUOH-YUMQZZPRSA-N 0 3 236.262 0.525 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)c1cnsn1 ZINC000834846548 587768650 /nfs/dbraw/zinc/76/86/50/587768650.db2.gz ZQNCVTRMNRNWKH-ZCFIWIBFSA-N 0 3 248.258 0.265 20 0 BCADHN COCCCN(C)CCNC(=O)NOC(C)C ZINC000836321989 587830793 /nfs/dbraw/zinc/83/07/93/587830793.db2.gz MIXXZTBOSQQVEH-UHFFFAOYSA-N 0 3 247.339 0.594 20 0 BCADHN C[C@@H](CNC(=O)NOCC(F)F)N(C)C ZINC000836433690 587833065 /nfs/dbraw/zinc/83/30/65/587833065.db2.gz HWRDZRNIINRLJD-LURJTMIESA-N 0 3 225.239 0.432 20 0 BCADHN C[C@@H](CNC(=O)N1CCOCC[C@H]1C)N(C)C ZINC000836624033 587835705 /nfs/dbraw/zinc/83/57/05/587835705.db2.gz XPCRWLKAZXASKD-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN CN(C)C1(C(=O)NC[C@@H](O)C2CCC2)CCC1 ZINC000837113587 587854840 /nfs/dbraw/zinc/85/48/40/587854840.db2.gz GCQJOCFOMINDDQ-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)N1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC000837545681 587880984 /nfs/dbraw/zinc/88/09/84/587880984.db2.gz NOKVHFVNUHAUIF-UHFFFAOYSA-N 0 3 239.363 0.680 20 0 BCADHN COCCCOC(=O)C1CCCN(C)C1=O ZINC000837957597 587905400 /nfs/dbraw/zinc/90/54/00/587905400.db2.gz VNYZABFUXHVNFT-VIFPVBQESA-N 0 3 229.276 0.435 20 0 BCADHN COCC[C@@H](C)OC(=O)C1CCCN(C)C1=O ZINC000837957115 587905571 /nfs/dbraw/zinc/90/55/71/587905571.db2.gz BTUMZNOQHHBUTN-ZJUUUORDSA-N 0 3 243.303 0.823 20 0 BCADHN COC[C@@H](NCCS(=O)(=O)C1CC1)C(C)C ZINC000840879426 587923027 /nfs/dbraw/zinc/92/30/27/587923027.db2.gz OEAICAHPGDTKRN-LLVKDONJSA-N 0 3 249.376 0.824 20 0 BCADHN CN(C)CCNC(=S)N1CCO[C@H](CF)C1 ZINC000840852557 587925784 /nfs/dbraw/zinc/92/57/84/587925784.db2.gz NLKPZDPFVORLPM-SECBINFHSA-N 0 3 249.355 0.093 20 0 BCADHN CN(C)C(=O)C1(NC[C@H]2CCC=CO2)CC1 ZINC000840956698 587931806 /nfs/dbraw/zinc/93/18/06/587931806.db2.gz CHKIKLOETNFTLZ-SNVBAGLBSA-N 0 3 224.304 0.890 20 0 BCADHN C[C@@H]1C[C@H]1CNCCS(=O)(=O)C1CC1 ZINC000840965394 587932490 /nfs/dbraw/zinc/93/24/90/587932490.db2.gz FQGHGCBLJMZPPN-BDAKNGLRSA-N 0 3 217.334 0.809 20 0 BCADHN CCSCCNCCS(=O)(=O)C1CC1 ZINC000840966672 587932500 /nfs/dbraw/zinc/93/25/00/587932500.db2.gz XEFGIGNDBPIXHE-UHFFFAOYSA-N 0 3 237.390 0.906 20 0 BCADHN C[C@@H]1NC(=S)N(CCN2CCCCC2)C1=O ZINC000841488608 587956273 /nfs/dbraw/zinc/95/62/73/587956273.db2.gz UKDHSNAJDPGUGK-VIFPVBQESA-N 0 3 241.360 0.578 20 0 BCADHN Cc1nsc(C(=O)NCC2(N(C)C)CC2)n1 ZINC000841717933 587973069 /nfs/dbraw/zinc/97/30/69/587973069.db2.gz NBPSBBNKUFYSJH-UHFFFAOYSA-N 0 3 240.332 0.671 20 0 BCADHN Nc1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)c([O-])c1 ZINC000841846111 587977426 /nfs/dbraw/zinc/97/74/26/587977426.db2.gz LQDVRQQKDZISQO-SNVBAGLBSA-N 0 3 249.314 0.846 20 0 BCADHN Nc1ccc(C(=O)NCC[NH2+]C2CC2)c([O-])c1 ZINC000841847664 587977516 /nfs/dbraw/zinc/97/75/16/587977516.db2.gz GOPDWJIRXCPNGZ-UHFFFAOYSA-N 0 3 235.287 0.456 20 0 BCADHN CC(C)([NH3+])CNC(=O)c1ccc(N)cc1[O-] ZINC000841848765 587977653 /nfs/dbraw/zinc/97/76/53/587977653.db2.gz BHDQXLKUWXUCKO-UHFFFAOYSA-N 0 3 223.276 0.442 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)NOCC1CC1 ZINC000841906334 587983425 /nfs/dbraw/zinc/98/34/25/587983425.db2.gz GEAKSOHOOCTVPT-DTWKUNHWSA-N 0 3 227.308 0.720 20 0 BCADHN O=C(NOCC1CC1)N[C@@H]1CNCCC1(F)F ZINC000841907489 587983543 /nfs/dbraw/zinc/98/35/43/587983543.db2.gz NXVXSXYKGLNLQA-MRVPVSSYSA-N 0 3 249.261 0.624 20 0 BCADHN C[C@@H]1CN(C(=O)NOCC2CC2)[C@@H](C)CN1 ZINC000841909394 587983910 /nfs/dbraw/zinc/98/39/10/587983910.db2.gz FQTIXWDFWVBHJG-BDAKNGLRSA-N 0 3 227.308 0.720 20 0 BCADHN CC[C@@H](COC(=O)C1CCCN(C)C1=O)OC ZINC000842102191 588000042 /nfs/dbraw/zinc/00/00/42/588000042.db2.gz KTVBERZQSRMURS-UWVGGRQHSA-N 0 3 243.303 0.823 20 0 BCADHN CC[C@@H](CN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1)OC ZINC000842158013 588005040 /nfs/dbraw/zinc/00/50/40/588005040.db2.gz VPAGVEJFVXVOAE-UKKRHICBSA-N 0 3 227.304 0.762 20 0 BCADHN CC(C)[C@@H](F)C(=O)NC[C@@](C)(O)CCN(C)C ZINC000842251253 588007364 /nfs/dbraw/zinc/00/73/64/588007364.db2.gz OIDMAOONCAPNHZ-PWSUYJOCSA-N 0 3 248.342 0.799 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000842260431 588009729 /nfs/dbraw/zinc/00/97/29/588009729.db2.gz UXDKCVLAUCEYKH-IUCAKERBSA-N 0 3 243.351 0.343 20 0 BCADHN CNc1c(Cl)ncnc1N1CCN[C@@H](C)C1 ZINC000842274940 588011010 /nfs/dbraw/zinc/01/10/10/588011010.db2.gz OTEHGVDZRUYXIY-ZETCQYMHSA-N 0 3 241.726 0.970 20 0 BCADHN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@]1(F)CCNC1 ZINC000842514249 588032502 /nfs/dbraw/zinc/03/25/02/588032502.db2.gz ANACXGZRBVSZCK-DNRKLUKYSA-N 0 3 226.295 0.993 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1CC1=CCCC1 ZINC000842570576 588043398 /nfs/dbraw/zinc/04/33/98/588043398.db2.gz BSENCDDVCDYTFU-QMMMGPOBSA-N 0 3 244.316 0.504 20 0 BCADHN C[C@@H]1C[C@@H](NCCS(=O)(=O)C2CC2)CO1 ZINC000842710708 588054772 /nfs/dbraw/zinc/05/47/72/588054772.db2.gz BYAGANHRXAWLHC-RKDXNWHRSA-N 0 3 233.333 0.331 20 0 BCADHN CC[C@H]1C[C@H](NCC(=O)N(CC)OC)CCO1 ZINC000842769158 588061160 /nfs/dbraw/zinc/06/11/60/588061160.db2.gz KFNOCKBHUUIQJE-MNOVXSKESA-N 0 3 244.335 0.944 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CCO[C@H]1C ZINC000842769355 588061221 /nfs/dbraw/zinc/06/12/21/588061221.db2.gz NNVVWDRMWIFCSE-IUCAKERBSA-N 0 3 216.281 0.163 20 0 BCADHN CC[C@@H]1C[C@H](NCC(=O)N(CC)OC)CCO1 ZINC000842769157 588061401 /nfs/dbraw/zinc/06/14/01/588061401.db2.gz KFNOCKBHUUIQJE-GHMZBOCLSA-N 0 3 244.335 0.944 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000842769559 588061421 /nfs/dbraw/zinc/06/14/21/588061421.db2.gz BTRKYCBEUOPVLS-JGPRNRPPSA-N 0 3 244.335 0.942 20 0 BCADHN C[C@@H](CCO)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000842884843 588070847 /nfs/dbraw/zinc/07/08/47/588070847.db2.gz LCPAJDMRPJHMDP-UWVGGRQHSA-N 0 3 228.336 0.746 20 0 BCADHN CC(C)CS(=O)(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000867308462 588070882 /nfs/dbraw/zinc/07/08/82/588070882.db2.gz JYRJLSBSVAWYML-GHMZBOCLSA-N 0 3 248.392 0.997 20 0 BCADHN CC[C@H](O)CNC[C@H](O)c1cccnc1 ZINC000843063191 588078275 /nfs/dbraw/zinc/07/82/75/588078275.db2.gz XGBSDMPLIOYLHP-QWRGUYRKSA-N 0 3 210.277 0.476 20 0 BCADHN C/C=C/C[C@H](CO)NCCS(=O)(=O)CC ZINC000843076059 588079533 /nfs/dbraw/zinc/07/95/33/588079533.db2.gz DJBSWVJPTVDUEV-RXNUUUNCSA-N 0 3 235.349 0.338 20 0 BCADHN COC[C@H](O)CNC[C@@H](O)c1ccccc1C ZINC000843075482 588079626 /nfs/dbraw/zinc/07/96/26/588079626.db2.gz UFVCAHDBHRBXMP-DGCLKSJQSA-N 0 3 239.315 0.625 20 0 BCADHN CS(=O)(=O)CCN[C@@H]1CCC[C@H](CO)C1 ZINC000843080019 588079968 /nfs/dbraw/zinc/07/99/68/588079968.db2.gz CICRXZRJVZRTTK-VHSXEESVSA-N 0 3 235.349 0.172 20 0 BCADHN CC(C)[C@H](O)CNC[C@H](O)c1ccc(F)cn1 ZINC000843080573 588080162 /nfs/dbraw/zinc/08/01/62/588080162.db2.gz JROVIYLLHDSPGP-NEPJUHHUSA-N 0 3 242.294 0.861 20 0 BCADHN Cc1ccc([C@H](O)CNC[C@@](C)(O)CO)cc1 ZINC000843081374 588080239 /nfs/dbraw/zinc/08/02/39/588080239.db2.gz QTENLCJGBVYSQU-CHWSQXEVSA-N 0 3 239.315 0.361 20 0 BCADHN COC[C@@H](CO)NC[C@H](O)c1ccc(C)cc1 ZINC000843082007 588080403 /nfs/dbraw/zinc/08/04/03/588080403.db2.gz WVWLEWTYXIZEIC-OLZOCXBDSA-N 0 3 239.315 0.625 20 0 BCADHN COC[C@@H](O)CNC[C@H](O)c1cccc(C)c1 ZINC000843087138 588080677 /nfs/dbraw/zinc/08/06/77/588080677.db2.gz JBVKRXSVMAUHSH-STQMWFEESA-N 0 3 239.315 0.625 20 0 BCADHN Cc1ccc([C@H](O)CNC[C@@H](O)C2CC2)o1 ZINC000843084446 588080686 /nfs/dbraw/zinc/08/06/86/588080686.db2.gz AVEVNSZWNDRJHT-GHMZBOCLSA-N 0 3 225.288 0.982 20 0 BCADHN C[C@H](CCO)NC[C@H](O)c1ccc(F)cn1 ZINC000843084342 588080813 /nfs/dbraw/zinc/08/08/13/588080813.db2.gz WPUOCRSNOSXXPK-KCJUWKMLSA-N 0 3 228.267 0.615 20 0 BCADHN CCc1ccc([C@@H](O)CNCCC(N)=O)cc1 ZINC000843096185 588081134 /nfs/dbraw/zinc/08/11/34/588081134.db2.gz XNTNVUNBLYOMKF-LBPRGKRZSA-N 0 3 236.315 0.747 20 0 BCADHN CC(C)[C@@H](O)C1(CNCCS(C)(=O)=O)CC1 ZINC000843109692 588082131 /nfs/dbraw/zinc/08/21/31/588082131.db2.gz XDCDBIJARFMDQV-SNVBAGLBSA-N 0 3 249.376 0.418 20 0 BCADHN O[C@@H](CN[C@@H]1CC[C@H]1O)c1ccccc1F ZINC000843113907 588082349 /nfs/dbraw/zinc/08/23/49/588082349.db2.gz BDUMQBOTDPWMAY-UTUOFQBUSA-N 0 3 225.263 0.972 20 0 BCADHN Nc1ccc(CN[C@H]2CNCCC2(F)F)cn1 ZINC000843125803 588084775 /nfs/dbraw/zinc/08/47/75/588084775.db2.gz IXZHJYTYUKSOBE-VIFPVBQESA-N 0 3 242.273 0.751 20 0 BCADHN F[C@@]1(c2nc(-c3ccon3)no2)CCNC1 ZINC000843193071 588092369 /nfs/dbraw/zinc/09/23/69/588092369.db2.gz LCNPUIYUCUDXMG-VIFPVBQESA-N 0 3 224.195 0.883 20 0 BCADHN c1cc(-c2noc(C[C@H]3CNCCO3)n2)no1 ZINC000843192975 588092531 /nfs/dbraw/zinc/09/25/31/588092531.db2.gz JQTWNBGTSQXJRV-ZETCQYMHSA-N 0 3 236.231 0.256 20 0 BCADHN F[C@]1(c2nc(-c3cocn3)no2)CCNC1 ZINC000843219972 588093994 /nfs/dbraw/zinc/09/39/94/588093994.db2.gz XFFQNIIPSCNECI-SECBINFHSA-N 0 3 224.195 0.883 20 0 BCADHN CC1(C)CNCCN1C(=O)c1ccc[n+]([O-])c1 ZINC000843351973 588102219 /nfs/dbraw/zinc/10/22/19/588102219.db2.gz MZGJIXYZDHFOHJ-UHFFFAOYSA-N 0 3 235.287 0.144 20 0 BCADHN CC1(C)CNCCN1C(=O)c1cn2c(n1)CCC2 ZINC000843352018 588102628 /nfs/dbraw/zinc/10/26/28/588102628.db2.gz ORIOEJNINAILJR-UHFFFAOYSA-N 0 3 248.330 0.653 20 0 BCADHN C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000843354760 588103300 /nfs/dbraw/zinc/10/33/00/588103300.db2.gz MLXHIBSQGOJRGM-JTQLQIEISA-N 0 3 249.314 0.798 20 0 BCADHN Cn1ccnc1[C@@H]1CNCCN1CCF ZINC000843380671 588105598 /nfs/dbraw/zinc/10/55/98/588105598.db2.gz ZXLDPKGFXKIDJQ-VIFPVBQESA-N 0 3 212.272 0.336 20 0 BCADHN CCN(OC)C(=O)CN[C@@H](C)[C@H]1CCCOC1 ZINC000843431159 588106891 /nfs/dbraw/zinc/10/68/91/588106891.db2.gz XONMWZIWMLXVOE-QWRGUYRKSA-N 0 3 244.335 0.801 20 0 BCADHN CCNCC(=O)NCCCc1nc(C)no1 ZINC000843425012 588108257 /nfs/dbraw/zinc/10/82/57/588108257.db2.gz DETZNYNDRXKJAW-UHFFFAOYSA-N 0 3 226.280 0.036 20 0 BCADHN CCN(OC)C(=O)CNC1CC(C)C1 ZINC000843430001 588108357 /nfs/dbraw/zinc/10/83/57/588108357.db2.gz FVLAEWQAOYVQQT-UHFFFAOYSA-N 0 3 200.282 0.784 20 0 BCADHN CC[C@H](COC)NCC(=O)N(CC)OC ZINC000843430346 588108601 /nfs/dbraw/zinc/10/86/01/588108601.db2.gz JBUCCAMKFFOUCK-SECBINFHSA-N 0 3 218.297 0.411 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)[C@@H]1CCOC1 ZINC000843431093 588109255 /nfs/dbraw/zinc/10/92/55/588109255.db2.gz WPYFOCJOQFZNQU-NXEZZACHSA-N 0 3 230.308 0.411 20 0 BCADHN CCNCC(=O)N(CC(N)=O)Cc1ccccc1 ZINC000843437722 588110500 /nfs/dbraw/zinc/11/05/00/588110500.db2.gz BPUJADHBSPTPSD-UHFFFAOYSA-N 0 3 249.314 0.110 20 0 BCADHN CCOC(=O)[C@@H](NC(=O)[C@@H](N)CC)C(C)(C)C ZINC000843445859 588110710 /nfs/dbraw/zinc/11/07/10/588110710.db2.gz WKUNWJUQSYZBOB-DTWKUNHWSA-N 0 3 244.335 0.818 20 0 BCADHN CCOC(=O)[C@@H](NC(=O)[C@H](N)CC)C(C)(C)C ZINC000843445860 588110988 /nfs/dbraw/zinc/11/09/88/588110988.db2.gz WKUNWJUQSYZBOB-RKDXNWHRSA-N 0 3 244.335 0.818 20 0 BCADHN Cc1noc(C)c1N(C)C(=O)[C@]1(F)CCNC1 ZINC000843441219 588111048 /nfs/dbraw/zinc/11/10/48/588111048.db2.gz XJFLPHIXMQSQHT-NSHDSACASA-N 0 3 241.266 0.956 20 0 BCADHN [NH3+][C@H]1C[C@@H](C(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000843449923 588111464 /nfs/dbraw/zinc/11/14/64/588111464.db2.gz YOTPYAIKTRACEQ-HRDYMLBCSA-N 0 3 214.265 0.298 20 0 BCADHN CCNCC(=O)NC[C@@H](CCO)CC(C)C ZINC000843448803 588111515 /nfs/dbraw/zinc/11/15/15/588111515.db2.gz VILZUVQLXGHMLV-NSHDSACASA-N 0 3 230.352 0.757 20 0 BCADHN Cc1ccc(N)cc1NC(=O)COC1(C)CNC1 ZINC000843473189 588114030 /nfs/dbraw/zinc/11/40/30/588114030.db2.gz ZRWCZQHKZGBOBV-UHFFFAOYSA-N 0 3 249.314 0.894 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000843495804 588115554 /nfs/dbraw/zinc/11/55/54/588115554.db2.gz VXXKQJLRUSTVME-DTWKUNHWSA-N 0 3 222.292 0.811 20 0 BCADHN CCc1cc(NC(=O)[C@H](N)CC)nn1C ZINC000843501833 588116660 /nfs/dbraw/zinc/11/66/60/588116660.db2.gz PUABPPJMVTWGKQ-MRVPVSSYSA-N 0 3 210.281 0.658 20 0 BCADHN CN(C)CCNC(=O)C1(C(F)F)CC1 ZINC000843748674 588137352 /nfs/dbraw/zinc/13/73/52/588137352.db2.gz BHXGERYSPXTAGX-UHFFFAOYSA-N 0 3 206.236 0.710 20 0 BCADHN CCCN(CCN(C)C)C(=O)/C=C\COC ZINC000843788599 588140020 /nfs/dbraw/zinc/14/00/20/588140020.db2.gz MHIWVKUOXHICJG-SREVYHEPSA-N 0 3 228.336 0.989 20 0 BCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C1(F)CC1 ZINC000843779019 588139743 /nfs/dbraw/zinc/13/97/43/588139743.db2.gz NJFZKDAIPZVZEA-VHSXEESVSA-N 0 3 242.294 0.468 20 0 BCADHN O=C(NC[C@@H](O)CN1CCCCC1)C1(F)CC1 ZINC000843831773 588143678 /nfs/dbraw/zinc/14/36/78/588143678.db2.gz REAAEVLGUWYSEV-SNVBAGLBSA-N 0 3 244.310 0.452 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)C3(F)CC3)[C@@H]2C1 ZINC000843894998 588148786 /nfs/dbraw/zinc/14/87/86/588148786.db2.gz ZXYOJYPGUGCXBF-DTWKUNHWSA-N 0 3 212.268 0.651 20 0 BCADHN CC1(C)CNCCN1C(=O)c1ncccn1 ZINC000844164717 588171193 /nfs/dbraw/zinc/17/11/93/588171193.db2.gz IVXOJAOSJFRUNV-UHFFFAOYSA-N 0 3 220.276 0.301 20 0 BCADHN C[C@H](N)C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000844168078 588171414 /nfs/dbraw/zinc/17/14/14/588171414.db2.gz JBPOXGPVSFNHCO-VIFPVBQESA-N 0 3 245.286 0.231 20 0 BCADHN CN(C(=O)CNC[C@@H]1CCCO1)c1cn[nH]c1 ZINC000844190474 588171440 /nfs/dbraw/zinc/17/14/40/588171440.db2.gz HKDOBGGNACDXER-JTQLQIEISA-N 0 3 238.291 0.141 20 0 BCADHN CCNCC(=O)NCc1nc2ccccc2[nH]1 ZINC000844170343 588171716 /nfs/dbraw/zinc/17/17/16/588171716.db2.gz AXSFJIGBWQOJSL-UHFFFAOYSA-N 0 3 232.287 0.789 20 0 BCADHN CN(C(=O)CNC[C@H]1CCCO1)c1cn[nH]c1 ZINC000844190475 588171745 /nfs/dbraw/zinc/17/17/45/588171745.db2.gz HKDOBGGNACDXER-SNVBAGLBSA-N 0 3 238.291 0.141 20 0 BCADHN CC(C)c1nccn1CCNC(=O)CN ZINC000844174643 588172491 /nfs/dbraw/zinc/17/24/91/588172491.db2.gz POUFKTCCISYKBL-UHFFFAOYSA-N 0 3 210.281 0.081 20 0 BCADHN CSCC[C@H](N)C(=O)N(C)c1cn[nH]c1 ZINC000844190688 588172811 /nfs/dbraw/zinc/17/28/11/588172811.db2.gz LUVHHAUXDMVROH-QMMMGPOBSA-N 0 3 228.321 0.453 20 0 BCADHN CCCN[C@H](C)C(=O)N(C)c1cn[nH]c1 ZINC000844190508 588172866 /nfs/dbraw/zinc/17/28/66/588172866.db2.gz JDBWUFYCABRGQG-MRVPVSSYSA-N 0 3 210.281 0.761 20 0 BCADHN CN(C(=O)[C@H](N)C1CCC1)c1cn[nH]c1 ZINC000844190433 588172950 /nfs/dbraw/zinc/17/29/50/588172950.db2.gz FUJNZSLODRBIGR-SECBINFHSA-N 0 3 208.265 0.500 20 0 BCADHN CN(C)CCn1cc(NCc2cncnc2)cn1 ZINC000844269179 588178382 /nfs/dbraw/zinc/17/83/82/588178382.db2.gz FECZYNDFLAHZJF-UHFFFAOYSA-N 0 3 246.318 0.847 20 0 BCADHN CC(C)N(CCO)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844281355 588179987 /nfs/dbraw/zinc/17/99/87/588179987.db2.gz ZSSPKIGGGSBFLK-LLVKDONJSA-N 0 3 242.319 0.672 20 0 BCADHN CCCN(CCO)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844282572 588180424 /nfs/dbraw/zinc/18/04/24/588180424.db2.gz LGDCWRIYFFKVEQ-NSHDSACASA-N 0 3 242.319 0.674 20 0 BCADHN CCCN(CCO)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844282571 588180441 /nfs/dbraw/zinc/18/04/41/588180441.db2.gz LGDCWRIYFFKVEQ-LLVKDONJSA-N 0 3 242.319 0.674 20 0 BCADHN O=C1O[C@H](CN2CC[C@H](O)C2)CN1C1CC1 ZINC000844294732 588181524 /nfs/dbraw/zinc/18/15/24/588181524.db2.gz YFONZUQWONUDLS-VHSXEESVSA-N 0 3 226.276 0.036 20 0 BCADHN O=C1O[C@H](CN2CC[C@@H](CO)C2)CN1C1CC1 ZINC000844297558 588181604 /nfs/dbraw/zinc/18/16/04/588181604.db2.gz DHCZDQZXEOUDNS-MWLCHTKSSA-N 0 3 240.303 0.284 20 0 BCADHN CN(C[C@H]1CN(C2CC2)C(=O)O1)C(C)(C)CO ZINC000844299787 588182067 /nfs/dbraw/zinc/18/20/67/588182067.db2.gz UZHZGXOQGOEGHP-JTQLQIEISA-N 0 3 242.319 0.672 20 0 BCADHN C[C@@H](O)CCN(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844299545 588182481 /nfs/dbraw/zinc/18/24/81/588182481.db2.gz HYRPWPUCSRJZCY-KOLCDFICSA-N 0 3 242.319 0.672 20 0 BCADHN C[C@H]1COCCN(C[C@@H]2CCC(=O)N2)C1 ZINC000844309784 588182918 /nfs/dbraw/zinc/18/29/18/588182918.db2.gz NAURRYKNGDWEGK-ZJUUUORDSA-N 0 3 212.293 0.233 20 0 BCADHN CN(CCCCO)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844320614 588184451 /nfs/dbraw/zinc/18/44/51/588184451.db2.gz LUAGJDHOWYMRRW-NSHDSACASA-N 0 3 242.319 0.674 20 0 BCADHN CC[C@@H](CO)N(C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844333753 588185881 /nfs/dbraw/zinc/18/58/81/588185881.db2.gz LXFKEZBPIFVGGW-GXSJLCMTSA-N 0 3 242.319 0.672 20 0 BCADHN CCC[C@@H](C)[C@H](CO)NCC1OCCO1 ZINC000844375481 588188372 /nfs/dbraw/zinc/18/83/72/588188372.db2.gz QSHSJAHCXMZKKP-ZJUUUORDSA-N 0 3 217.309 0.746 20 0 BCADHN COC(=O)CC1(NCCN2CCOC2=O)CC1 ZINC000844388558 588188847 /nfs/dbraw/zinc/18/88/47/588188847.db2.gz ZBZNTVGYWJSCMP-UHFFFAOYSA-N 0 3 242.275 0.124 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1CCC(C)=O ZINC000844394851 588189721 /nfs/dbraw/zinc/18/97/21/588189721.db2.gz ZENVZMHGSBHFGK-VHSXEESVSA-N 0 3 201.266 0.047 20 0 BCADHN CCN(CCN1CCOC1=O)[C@@H]1CCCOC1 ZINC000844405178 588190660 /nfs/dbraw/zinc/19/06/60/588190660.db2.gz UBGRDRVMAZDIMC-LLVKDONJSA-N 0 3 242.319 0.940 20 0 BCADHN CCC(=O)CCN1C[C@H](O)C[C@@H]1COC ZINC000844404865 588190699 /nfs/dbraw/zinc/19/06/99/588190699.db2.gz WSXUUUSXYYUYAV-MWLCHTKSSA-N 0 3 215.293 0.437 20 0 BCADHN O=[S@@]1C[C@@H]2C[C@H]1CN2CCN1CCCC1 ZINC000844431127 588192319 /nfs/dbraw/zinc/19/23/19/588192319.db2.gz NPTSRTXBZVGQED-ZIBATOQPSA-N 0 3 228.361 0.287 20 0 BCADHN COC(=O)/C(C)=C/CN(C)[C@H](C)CCO ZINC000844447598 588194440 /nfs/dbraw/zinc/19/44/40/588194440.db2.gz PLNVQELEIGFAPY-NAZIUFLLSA-N 0 3 215.293 0.808 20 0 BCADHN C[C@@H](CCO)N(C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844452156 588195524 /nfs/dbraw/zinc/19/55/24/588195524.db2.gz UMQHTGWMLYGQIE-GXSJLCMTSA-N 0 3 242.319 0.672 20 0 BCADHN OC1(CN2C[C@H]3[C@@H](C2)C3(F)F)CCOCC1 ZINC000844459722 588196707 /nfs/dbraw/zinc/19/67/07/588196707.db2.gz UMGINUNJLJZWMT-DTORHVGOSA-N 0 3 233.258 0.725 20 0 BCADHN CN(C)CC[C@@H](N)c1nc(C2CC2)no1 ZINC000844677671 588213241 /nfs/dbraw/zinc/21/32/41/588213241.db2.gz UKHDFKLGJPQXRM-MRVPVSSYSA-N 0 3 210.281 0.899 20 0 BCADHN CN(CCN1C(=O)N[C@@H](CCF)C1=O)C1CC1 ZINC000844723290 588215331 /nfs/dbraw/zinc/21/53/31/588215331.db2.gz WQCMYSAWFHAKIA-VIFPVBQESA-N 0 3 243.282 0.361 20 0 BCADHN COC/C(C)=C/C(=O)NCCN1CCCC1 ZINC000845106120 588221494 /nfs/dbraw/zinc/22/14/94/588221494.db2.gz DFLIETJOKPJXGA-PKNBQFBNSA-N 0 3 226.320 0.791 20 0 BCADHN CC(=O)N(C)CC(=O)O[C@@H](C)CN1CCCC1 ZINC000845673562 588240734 /nfs/dbraw/zinc/24/07/34/588240734.db2.gz RVDHQERCRMULAF-JTQLQIEISA-N 0 3 242.319 0.492 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CO[C@@H](C)C1 ZINC000846064637 588254340 /nfs/dbraw/zinc/25/43/40/588254340.db2.gz SYICMCSPDAZMPJ-DTWKUNHWSA-N 0 3 216.281 0.163 20 0 BCADHN CCON(C)C(=O)CN[C@@H](CC)COC ZINC000846063898 588255082 /nfs/dbraw/zinc/25/50/82/588255082.db2.gz JCFOVBVLEILFNH-VIFPVBQESA-N 0 3 218.297 0.411 20 0 BCADHN CCON(C)C(=O)CN[C@@H](C)Cn1cccn1 ZINC000846064925 588255252 /nfs/dbraw/zinc/25/52/52/588255252.db2.gz ODAJKALBJPAOFR-JTQLQIEISA-N 0 3 240.307 0.271 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CC[C@H]1SC ZINC000846065627 588255279 /nfs/dbraw/zinc/25/52/79/588255279.db2.gz XXEKLYKMJDYJSY-RKDXNWHRSA-N 0 3 232.349 0.880 20 0 BCADHN CCO[N-]C(=O)C[NH2+]C1CCN(C(C)C)CC1 ZINC000846090799 588256224 /nfs/dbraw/zinc/25/62/24/588256224.db2.gz FAENJSWQLGHZNX-UHFFFAOYSA-N 0 3 243.351 0.517 20 0 BCADHN COC/C(C)=C/C(=O)NCC1(N(C)C)CC1 ZINC000846264275 588263260 /nfs/dbraw/zinc/26/32/60/588263260.db2.gz WMHPAHMBVTXVHB-JXMROGBWSA-N 0 3 226.320 0.790 20 0 BCADHN CC/C=C(/F)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000867417623 588264786 /nfs/dbraw/zinc/26/47/86/588264786.db2.gz CCPRPLDWYFCKRO-VKJYCEFSSA-N 0 3 230.283 0.433 20 0 BCADHN CC/C=C(/F)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000867417622 588264847 /nfs/dbraw/zinc/26/48/47/588264847.db2.gz CCPRPLDWYFCKRO-VCFDLTMXSA-N 0 3 230.283 0.433 20 0 BCADHN Cc1n[nH]cc1C(=O)NOC1CCN(C)CC1 ZINC000846647496 588280478 /nfs/dbraw/zinc/28/04/78/588280478.db2.gz MACSULOODHCAFQ-UHFFFAOYSA-N 0 3 238.291 0.474 20 0 BCADHN CN1CCC(ONC(=O)c2cc[nH]c2)CC1 ZINC000846648632 588280856 /nfs/dbraw/zinc/28/08/56/588280856.db2.gz VMQJKWWAHIOSDH-UHFFFAOYSA-N 0 3 223.276 0.770 20 0 BCADHN Cc1nc(C(=O)NOC2CCN(C)CC2)co1 ZINC000846650058 588281046 /nfs/dbraw/zinc/28/10/46/588281046.db2.gz MPKYGQZRPIBHGM-UHFFFAOYSA-N 0 3 239.275 0.739 20 0 BCADHN O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000846672931 588282005 /nfs/dbraw/zinc/28/20/05/588282005.db2.gz PSINIDHUDLPPHA-GHMZBOCLSA-N 0 3 242.319 0.951 20 0 BCADHN CC(C)(N)C(=O)NC[C@](C)(O)c1ccco1 ZINC000846686459 588282679 /nfs/dbraw/zinc/28/26/79/588282679.db2.gz JKNBSUSTTXRUHB-NSHDSACASA-N 0 3 226.276 0.341 20 0 BCADHN C[C@@](O)(CNC(=O)C1(N)CC1)c1ccco1 ZINC000846687140 588282976 /nfs/dbraw/zinc/28/29/76/588282976.db2.gz NIUBNRVFPNIUMO-SNVBAGLBSA-N 0 3 224.260 0.095 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)[C@H](CC)CO1 ZINC000846688482 588282995 /nfs/dbraw/zinc/28/29/95/588282995.db2.gz SPNOJXVZGQAAOM-DBIOUOCHSA-N 0 3 226.320 0.750 20 0 BCADHN CC[C@@H]1CO[C@@H](CC)CN1C(=O)[C@@H]1C[C@@H]1N ZINC000846688485 588283006 /nfs/dbraw/zinc/28/30/06/588283006.db2.gz SPNOJXVZGQAAOM-YTWAJWBKSA-N 0 3 226.320 0.750 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000846691314 588283073 /nfs/dbraw/zinc/28/30/73/588283073.db2.gz ONMSZVWXXBDKQU-WKJUBOCMSA-N 0 3 224.304 0.563 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2N)[C@@H](C)CO1 ZINC000846690880 588283102 /nfs/dbraw/zinc/28/31/02/588283102.db2.gz KTWSWKNHVOWTBP-QEYWKRMJSA-N 0 3 212.293 0.360 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCCC(F)(F)C1 ZINC000846689950 588283207 /nfs/dbraw/zinc/28/32/07/588283207.db2.gz YILKLFIILPJIIV-NKWVEPMBSA-N 0 3 204.220 0.591 20 0 BCADHN O=C(N1CCC(CCO)CC1)[C@]1(F)CCNC1 ZINC000846695831 588283478 /nfs/dbraw/zinc/28/34/78/588283478.db2.gz GXRSKNQEFQHLKK-LBPRGKRZSA-N 0 3 244.310 0.309 20 0 BCADHN CCNCC(=O)NC[C@@H](CC1CC1)C(=O)OC ZINC000846697098 588283480 /nfs/dbraw/zinc/28/34/80/588283480.db2.gz KCWREAYMKYRYOW-SNVBAGLBSA-N 0 3 242.319 0.301 20 0 BCADHN CCN1C[C@@H](CN2CCC(OC)CC2)OC1=O ZINC000846758012 588286379 /nfs/dbraw/zinc/28/63/79/588286379.db2.gz BKZSUTRSYYOCEZ-LLVKDONJSA-N 0 3 242.319 0.938 20 0 BCADHN CN(C)C1(CNC(=O)OC2CCOCC2)CC1 ZINC000867439348 588290215 /nfs/dbraw/zinc/29/02/15/588290215.db2.gz QPRFPUIYWUIJJS-UHFFFAOYSA-N 0 3 242.319 0.986 20 0 BCADHN Cn1ccnc1[C@H]1CCN(CC[S@@](C)=O)C1 ZINC000846838621 588292187 /nfs/dbraw/zinc/29/21/87/588292187.db2.gz QNUIIYGBNPVEMI-MGPLVRAMSA-N 0 3 241.360 0.588 20 0 BCADHN CCN1C[C@@H](CN2CC[C@@](O)(CC)C2)OC1=O ZINC000846858958 588293778 /nfs/dbraw/zinc/29/37/78/588293778.db2.gz RGTMWTPVULCFSK-PWSUYJOCSA-N 0 3 242.319 0.674 20 0 BCADHN CC(C)(CC(N)=O)NCc1ccc2nonc2c1 ZINC000846862727 588294045 /nfs/dbraw/zinc/29/40/45/588294045.db2.gz ZJEGLUJNGLQARO-UHFFFAOYSA-N 0 3 248.286 0.966 20 0 BCADHN CN(CCC(N)=O)CC1(Br)CC1 ZINC000846902207 588296351 /nfs/dbraw/zinc/29/63/51/588296351.db2.gz CUWCAAGFMDRJAU-UHFFFAOYSA-N 0 3 235.125 0.721 20 0 BCADHN Cc1ccc(OCCNC(CO)CO)cc1 ZINC000846933464 588297354 /nfs/dbraw/zinc/29/73/54/588297354.db2.gz CORHZCCDXHLCHO-UHFFFAOYSA-N 0 3 225.288 0.317 20 0 BCADHN CN1CC[C@@H]2CN(Cc3cnsn3)C[C@@H]21 ZINC000846958629 588298545 /nfs/dbraw/zinc/29/85/45/588298545.db2.gz OIZPWTGVVKSLSF-SCZZXKLOSA-N 0 3 224.333 0.674 20 0 BCADHN CON1CCN(CC[C@@H]2CCCO2)CC1 ZINC000846972930 588298686 /nfs/dbraw/zinc/29/86/86/588298686.db2.gz VVXDMWFKPPLEQV-NSHDSACASA-N 0 3 214.309 0.735 20 0 BCADHN COCC1(CN2CCN(OC)CC2)CCC1 ZINC000846972905 588299680 /nfs/dbraw/zinc/29/96/80/588299680.db2.gz UZDCRPJOBMTHBR-UHFFFAOYSA-N 0 3 228.336 0.982 20 0 BCADHN CCCN(CCS(N)(=O)=O)C(C)C ZINC000847033321 588304330 /nfs/dbraw/zinc/30/43/30/588304330.db2.gz PBAOLIMACQNNMQ-UHFFFAOYSA-N 0 3 208.327 0.395 20 0 BCADHN CCCCCCN[C@@]1(C(N)=O)CCOC1 ZINC000847050783 588304964 /nfs/dbraw/zinc/30/49/64/588304964.db2.gz FDFQFCUNXAZBMR-NSHDSACASA-N 0 3 214.309 0.801 20 0 BCADHN CC[C@@H](NCC(=O)N(C)OC)[C@@H]1CCCCO1 ZINC000847075212 588305908 /nfs/dbraw/zinc/30/59/08/588305908.db2.gz BFCLBZVVPDNIHT-MNOVXSKESA-N 0 3 244.335 0.944 20 0 BCADHN CC[C@@H](NCC(=O)N(C)OC)[C@H]1CCCCO1 ZINC000847075208 588306077 /nfs/dbraw/zinc/30/60/77/588306077.db2.gz BFCLBZVVPDNIHT-GHMZBOCLSA-N 0 3 244.335 0.944 20 0 BCADHN CCO/C=C/C(=O)N[C@H]1CCCN(C)C1 ZINC000847448336 588313664 /nfs/dbraw/zinc/31/36/64/588313664.db2.gz OOQTUBQQWTZDLW-PCGIRMHASA-N 0 3 212.293 0.747 20 0 BCADHN CCOCC(=O)OC1CCN(CCOC)CC1 ZINC000847880557 588342066 /nfs/dbraw/zinc/34/20/66/588342066.db2.gz POOJUCGPNYSRCZ-UHFFFAOYSA-N 0 3 245.319 0.677 20 0 BCADHN CC(C)N1CCC(C(=O)O[C@H]2CNOC2)CC1 ZINC000848057234 588349650 /nfs/dbraw/zinc/34/96/50/588349650.db2.gz LHOGBVPLHNRVJW-NSHDSACASA-N 0 3 242.319 0.553 20 0 BCADHN CC[C@H](C(=O)N[C@H]1C[C@@H](C)OC1=O)N(C)C ZINC000848077632 588355035 /nfs/dbraw/zinc/35/50/35/588355035.db2.gz MXOYIOJRNQHYFM-HRDYMLBCSA-N 0 3 228.292 0.147 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1C[C@@H](C)OC1=O ZINC000848078348 588355462 /nfs/dbraw/zinc/35/54/62/588355462.db2.gz SCSRUGOHZMGBFW-RKDXNWHRSA-N 0 3 228.292 0.148 20 0 BCADHN CCCONC(=O)c1ccn(CCN(C)C)n1 ZINC000848238308 588366639 /nfs/dbraw/zinc/36/66/39/588366639.db2.gz MPJYZKRLSBDWNK-UHFFFAOYSA-N 0 3 240.307 0.516 20 0 BCADHN CCC/C=C\C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848307988 588371607 /nfs/dbraw/zinc/37/16/07/588371607.db2.gz VRYCGIOPLLKWHH-KBIXYVOKSA-N 0 3 238.331 0.620 20 0 BCADHN CCc1cc(NC(=O)[C@H](C)NC)nn1C ZINC000848428775 588383716 /nfs/dbraw/zinc/38/37/16/588383716.db2.gz GTHWTOBEZACLCD-ZETCQYMHSA-N 0 3 210.281 0.529 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H]1COc2ccccc2C1 ZINC000848396216 588377158 /nfs/dbraw/zinc/37/71/58/588377158.db2.gz JNNAGNNULCUADE-WDEREUQCSA-N 0 3 248.326 0.962 20 0 BCADHN CCCCC[C@H](NC(=O)[C@H](C)NC)C(=O)OC ZINC000848402459 588378244 /nfs/dbraw/zinc/37/82/44/588378244.db2.gz AULAVXGEYHVMMV-UWVGGRQHSA-N 0 3 244.335 0.832 20 0 BCADHN Cn1ccsc1=NC(=O)CCNC1CC1 ZINC000848407095 588378508 /nfs/dbraw/zinc/37/85/08/588378508.db2.gz LQDPVMPDHJLJQN-UHFFFAOYSA-N 0 3 225.317 0.656 20 0 BCADHN CN[C@@H](C)C(=O)NCCNc1ccccc1 ZINC000848407902 588379199 /nfs/dbraw/zinc/37/91/99/588379199.db2.gz DMKGGYWAWRMMRC-JTQLQIEISA-N 0 3 221.304 0.823 20 0 BCADHN COCC1(CNC(=O)[C@]2(F)CCNC2)CC1 ZINC000848433195 588384061 /nfs/dbraw/zinc/38/40/61/588384061.db2.gz FMNRSPMWQGHCTN-NSHDSACASA-N 0 3 230.283 0.231 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@](C)(O)c1ccco1 ZINC000848430607 588384385 /nfs/dbraw/zinc/38/43/85/588384385.db2.gz NJPAFRJNLXTBNH-GZMMTYOYSA-N 0 3 226.276 0.211 20 0 BCADHN CCCCOC(=O)C(C)(C)NC(=O)CNCC ZINC000848436772 588384733 /nfs/dbraw/zinc/38/47/33/588384733.db2.gz CQSYZBJHMSKYNK-UHFFFAOYSA-N 0 3 244.335 0.834 20 0 BCADHN NC[C@H](NC(=O)c1ncccn1)C(F)(F)F ZINC000848438156 588385030 /nfs/dbraw/zinc/38/50/30/588385030.db2.gz QEVOIGCPCMIGAP-YFKPBYRVSA-N 0 3 234.181 0.096 20 0 BCADHN CO[C@@H](C)CC(=O)N[C@@H](CN)C(F)(F)F ZINC000848438873 588385058 /nfs/dbraw/zinc/38/50/58/588385058.db2.gz MCBQPIXQVIAGIT-WDSKDSINSA-N 0 3 228.214 0.417 20 0 BCADHN C[C@@H](O)CCNCc1cnc(Cl)n1C ZINC000848537067 588394491 /nfs/dbraw/zinc/39/44/91/588394491.db2.gz YQFHWOUSKKCKKR-SSDOTTSWSA-N 0 3 217.700 0.934 20 0 BCADHN Cn1c(CNCC2(CO)CC2)cnc1Cl ZINC000848540112 588394510 /nfs/dbraw/zinc/39/45/10/588394510.db2.gz KVXIYPSERGQGGH-UHFFFAOYSA-N 0 3 229.711 0.936 20 0 BCADHN Cn1c(CNC[C@@]2(O)CCOC2)cnc1Cl ZINC000848544862 588395335 /nfs/dbraw/zinc/39/53/35/588395335.db2.gz OZMGGVXJPXGOKB-JTQLQIEISA-N 0 3 245.710 0.315 20 0 BCADHN CO[C@](C)(CO)CN[C@H](C)c1cc(C)nn1C ZINC000848556417 588396898 /nfs/dbraw/zinc/39/68/98/588396898.db2.gz XIXVESIAOBBLPN-PWSUYJOCSA-N 0 3 241.335 0.777 20 0 BCADHN CO[C@](C)(CO)CNCc1cnc(Cl)n1C ZINC000848560857 588397749 /nfs/dbraw/zinc/39/77/49/588397749.db2.gz RPRUHBMRFVNORA-JTQLQIEISA-N 0 3 247.726 0.561 20 0 BCADHN CO[C@H](C)[C@H](C)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848568962 588398411 /nfs/dbraw/zinc/39/84/11/588398411.db2.gz BKDUGDHNONPJMG-NGZCFLSTSA-N 0 3 242.319 0.983 20 0 BCADHN O=C1O[C@@H](CNCc2cn[nH]c2)CN1C1CC1 ZINC000848577362 588398786 /nfs/dbraw/zinc/39/87/86/588398786.db2.gz DVQPWOCSYYTBDD-JTQLQIEISA-N 0 3 236.275 0.483 20 0 BCADHN NC[C@H](NC(=O)NC(CF)CF)C(F)(F)F ZINC000848598010 588401585 /nfs/dbraw/zinc/40/15/85/588401585.db2.gz GLGKHVNWDBZZHE-YFKPBYRVSA-N 0 3 249.183 0.483 20 0 BCADHN CN(C)CCCOC(=O)[C@@H]1CCCS1(=O)=O ZINC000848857017 588415301 /nfs/dbraw/zinc/41/53/01/588415301.db2.gz QXIRVDGJXKGTNE-VIFPVBQESA-N 0 3 249.332 0.059 20 0 BCADHN CNC(=O)CNC(=N)Nc1cc(F)ccc1F ZINC000849080681 588452220 /nfs/dbraw/zinc/45/22/20/588452220.db2.gz MJNSVQZULKCLSN-UHFFFAOYSA-N 0 3 242.229 0.647 20 0 BCADHN CN(C)CCn1cc(C2(F)COC2)nn1 ZINC000849138139 588454129 /nfs/dbraw/zinc/45/41/29/588454129.db2.gz YRLRJXMPUWFLMI-UHFFFAOYSA-N 0 3 214.244 0.035 20 0 BCADHN CN(C)CCn1cc(CSCCO)nn1 ZINC000849136852 588453933 /nfs/dbraw/zinc/45/39/33/588453933.db2.gz LGRWOISOIWYVBJ-UHFFFAOYSA-N 0 3 230.337 0.065 20 0 BCADHN CCn1cc(-c2cn(CCN(C)C)nn2)cn1 ZINC000849138114 588454265 /nfs/dbraw/zinc/45/42/65/588454265.db2.gz YEMYRHAETTVDHL-UHFFFAOYSA-N 0 3 234.307 0.723 20 0 BCADHN C[C@H](N)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC000849140919 588454594 /nfs/dbraw/zinc/45/45/94/588454594.db2.gz WDOFWAGWEZVZRU-ZETCQYMHSA-N 0 3 226.280 0.640 20 0 BCADHN CCOC(=O)[C@H](C)n1cc([C@H](C)N)nn1 ZINC000849144215 588454938 /nfs/dbraw/zinc/45/49/38/588454938.db2.gz VTMZNBMSCWTENJ-BQBZGAKWSA-N 0 3 212.253 0.422 20 0 BCADHN CO[C@@H](C)CC(=O)NC[C@H]1CCCN(C)C1 ZINC000108341666 588461074 /nfs/dbraw/zinc/46/10/74/588461074.db2.gz LJTKZRMUWCEELM-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN COC1CC(CCNCCS(C)(=O)=O)C1 ZINC000849327095 588473156 /nfs/dbraw/zinc/47/31/56/588473156.db2.gz IVLFVMMTWNIEIX-UHFFFAOYSA-N 0 3 235.349 0.436 20 0 BCADHN CO[C@@H](C)CNC[C@H](O)c1ccc(F)cn1 ZINC000849328067 588473207 /nfs/dbraw/zinc/47/32/07/588473207.db2.gz YPJONUORPQIUJA-KWQFWETISA-N 0 3 228.267 0.879 20 0 BCADHN CC(C)[C@H](O)COC(=O)C1CCCN(C)C1=O ZINC000849791005 588499222 /nfs/dbraw/zinc/49/92/22/588499222.db2.gz CWMSHNGWTPYCOB-NXEZZACHSA-N 0 3 243.303 0.415 20 0 BCADHN Cc1ncc(CN[C@](C)(CO)C2CC2)n1C ZINC000850180661 588524602 /nfs/dbraw/zinc/52/46/02/588524602.db2.gz BOUDRLAJIGAYRU-GFCCVEGCSA-N 0 3 223.320 0.979 20 0 BCADHN CC[C@@H]1C[C@@H](NCCS(=O)(=O)C2CC2)CO1 ZINC000850326493 588536763 /nfs/dbraw/zinc/53/67/63/588536763.db2.gz OPYDSEYINIBGEI-NXEZZACHSA-N 0 3 247.360 0.721 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CO[C@@H](CC)C1 ZINC000850338039 588537636 /nfs/dbraw/zinc/53/76/36/588537636.db2.gz DCIBSMBXFWDKDK-ZJUUUORDSA-N 0 3 230.308 0.553 20 0 BCADHN O=[S@](CCN[C@@H]1CCOC1)CC(F)(F)F ZINC000850348496 588537929 /nfs/dbraw/zinc/53/79/29/588537929.db2.gz NLRAVUIUIKJNOL-KWKYVRJSSA-N 0 3 245.266 0.676 20 0 BCADHN O[C@H]1C[C@@H](NCc2cncnc2)C12CCC2 ZINC000850389111 588543190 /nfs/dbraw/zinc/54/31/90/588543190.db2.gz TUNJSLMJYULBHB-MNOVXSKESA-N 0 3 219.288 0.870 20 0 BCADHN C[C@@H](CSCCF)NCCS(C)(=O)=O ZINC000850431615 588546260 /nfs/dbraw/zinc/54/62/60/588546260.db2.gz ZMUFXOOKFYPMFT-QMMMGPOBSA-N 0 3 243.369 0.712 20 0 BCADHN CON(C)CCN[C@@H](C)c1c[nH]nc1C ZINC000850478987 588547867 /nfs/dbraw/zinc/54/78/67/588547867.db2.gz JIYCNHRBLIXTDM-QMMMGPOBSA-N 0 3 212.297 0.862 20 0 BCADHN CON(C)CCN[C@@H](C)c1ccnn1C ZINC000850479188 588548662 /nfs/dbraw/zinc/54/86/62/588548662.db2.gz NCVGAFYWBWDSNR-VIFPVBQESA-N 0 3 212.297 0.564 20 0 BCADHN Cn1nncc1CNC1CC(CF)(CF)C1 ZINC000850469030 588548845 /nfs/dbraw/zinc/54/88/45/588548845.db2.gz OGTMVPBIHFEXNF-UHFFFAOYSA-N 0 3 230.262 0.993 20 0 BCADHN CON(C)CCN[C@H](C)c1cncnc1C ZINC000850477956 588549734 /nfs/dbraw/zinc/54/97/34/588549734.db2.gz MBTYHDNKXXCWGT-SECBINFHSA-N 0 3 224.308 0.929 20 0 BCADHN NC[C@@H](NC(=O)N[C@@H]1C=CCC1)C(F)(F)F ZINC000850754633 588565242 /nfs/dbraw/zinc/56/52/42/588565242.db2.gz UVBAIUMVRKXDSH-RNFRBKRXSA-N 0 3 237.225 0.894 20 0 BCADHN CC[C@](C)(CC(=O)OC)NC(=O)CNC(C)C ZINC000851629011 588612056 /nfs/dbraw/zinc/61/20/56/588612056.db2.gz RYWXUTULJIGUSB-GFCCVEGCSA-N 0 3 244.335 0.832 20 0 BCADHN CSC(C)(C)C(=O)NC[C@H]1CNCCO1 ZINC000851638631 588612508 /nfs/dbraw/zinc/61/25/08/588612508.db2.gz IRKDHFDABRBBKC-MRVPVSSYSA-N 0 3 232.349 0.233 20 0 BCADHN N[C@@H]1CN(C(=O)/C=C\C2CC2)CC[C@H]1F ZINC000851649357 588613097 /nfs/dbraw/zinc/61/30/97/588613097.db2.gz WPCGKROXXFBNJV-HWKXXFMVSA-N 0 3 212.268 0.850 20 0 BCADHN N[C@@H]1CN(C(=O)N[C@H]2C=CCC2)CC[C@H]1F ZINC000851668388 588614064 /nfs/dbraw/zinc/61/40/64/588614064.db2.gz FYCRMZINUMCXKO-IVZWLZJFSA-N 0 3 227.283 0.786 20 0 BCADHN CC1(C)OC[C@H](CN2CCC[C@H](CO)C2)O1 ZINC000851720390 588617172 /nfs/dbraw/zinc/61/71/72/588617172.db2.gz IFJPPUIQGLICLT-QWRGUYRKSA-N 0 3 229.320 0.842 20 0 BCADHN COCCN1CCN([C@H]2CC[C@H](OC)C2)CC1 ZINC000851724585 588617533 /nfs/dbraw/zinc/61/75/33/588617533.db2.gz AUQMIPIOPAFZBH-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN CC1(C)OC[C@H](CN2CCC(CO)CC2)O1 ZINC000851726943 588618017 /nfs/dbraw/zinc/61/80/17/588618017.db2.gz XPMQWGJECDFFJS-NSHDSACASA-N 0 3 229.320 0.842 20 0 BCADHN COC(=O)[C@H](C)CN(C)C[C@@H]1COC(C)(C)O1 ZINC000851728164 588618287 /nfs/dbraw/zinc/61/82/87/588618287.db2.gz HILQZLBCUUHASD-NXEZZACHSA-N 0 3 245.319 0.879 20 0 BCADHN CCCN(CCO)C[C@@H]1CCC(=O)O1 ZINC000851728498 588618323 /nfs/dbraw/zinc/61/83/23/588618323.db2.gz BPHSLZUAJFVPOL-VIFPVBQESA-N 0 3 201.266 0.396 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C[C@@H]1CCC(=O)O1 ZINC000851728244 588618412 /nfs/dbraw/zinc/61/84/12/588618412.db2.gz JPZYOTXFNIEEKD-IUCAKERBSA-N 0 3 229.276 0.433 20 0 BCADHN CC1(C)OC[C@H](CN2CCCC[C@H]2CO)O1 ZINC000851729861 588619194 /nfs/dbraw/zinc/61/91/94/588619194.db2.gz QRDIEQDQKNVENG-QWRGUYRKSA-N 0 3 229.320 0.985 20 0 BCADHN CCN(CC(=O)NC)[C@@H]1CCCC[C@H]1O ZINC000851733323 588619796 /nfs/dbraw/zinc/61/97/96/588619796.db2.gz RIXFMODIIUSYKP-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CC1(C)OC[C@@H](CN2CCCOCC2)O1 ZINC000851740301 588621386 /nfs/dbraw/zinc/62/13/86/588621386.db2.gz WOAOWDLZNQVUSN-SNVBAGLBSA-N 0 3 215.293 0.860 20 0 BCADHN COC(CCN(C)CCN1CCOCC1)OC ZINC000851750957 588623131 /nfs/dbraw/zinc/62/31/31/588623131.db2.gz MOWBCIXANUKDOJ-UHFFFAOYSA-N 0 3 246.351 0.259 20 0 BCADHN O=C1CC[C@@H](CN2CCC[C@@H](CCO)C2)O1 ZINC000851752292 588623686 /nfs/dbraw/zinc/62/36/86/588623686.db2.gz FXIIUCUMCVQMPT-QWRGUYRKSA-N 0 3 227.304 0.786 20 0 BCADHN c1cnn(C2CCN(CCc3cn[nH]n3)CC2)c1 ZINC000851765530 588624986 /nfs/dbraw/zinc/62/49/86/588624986.db2.gz VOTIDRWKMBKOLN-UHFFFAOYSA-N 0 3 246.318 0.881 20 0 BCADHN CN(CCOC(F)F)CCN1CCCC1=O ZINC000851770286 588625335 /nfs/dbraw/zinc/62/53/35/588625335.db2.gz OOZITRINJAUTOG-UHFFFAOYSA-N 0 3 236.262 0.780 20 0 BCADHN CN(C[C@@H]1CCC(=O)O1)[C@H]1CCN(C2CC2)C1 ZINC000851769356 588625433 /nfs/dbraw/zinc/62/54/33/588625433.db2.gz RYKDXRJEUBZADL-RYUDHWBXSA-N 0 3 238.331 0.861 20 0 BCADHN CN(C[C@@H]1COC(C)(C)O1)C(C)(C)CO ZINC000851776876 588626247 /nfs/dbraw/zinc/62/62/47/588626247.db2.gz CRAVQAZBYOPUPE-SECBINFHSA-N 0 3 217.309 0.841 20 0 BCADHN C[C@H](O)CCN(C)C[C@H](O)c1ccccn1 ZINC000851785518 588628180 /nfs/dbraw/zinc/62/81/80/588628180.db2.gz SXZSRYLJKUTXEU-JQWIXIFHSA-N 0 3 224.304 0.818 20 0 BCADHN CCN(CCCO)C[C@H]1COC(C)(C)O1 ZINC000851793102 588629355 /nfs/dbraw/zinc/62/93/55/588629355.db2.gz WPCGXMJGJMOWIW-JTQLQIEISA-N 0 3 217.309 0.842 20 0 BCADHN CN(C[C@@H](O)c1ccccn1)C[C@H](O)C1CC1 ZINC000851802616 588630655 /nfs/dbraw/zinc/63/06/55/588630655.db2.gz KSLZLIGHXWNXLU-QWHCGFSZSA-N 0 3 236.315 0.818 20 0 BCADHN CO[C@@H]1CCN(CCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000851800893 588630704 /nfs/dbraw/zinc/63/07/04/588630704.db2.gz VCJOLVVALIUBDR-RWMBFGLXSA-N 0 3 242.363 0.816 20 0 BCADHN COC[C@H](CNC1(C(N)=O)CCCC1)OC ZINC000851846912 588634788 /nfs/dbraw/zinc/63/47/88/588634788.db2.gz KXGXJVCGTWXLMB-VIFPVBQESA-N 0 3 230.308 0.036 20 0 BCADHN CC(C)(C)[C@H](NC[C@@H]1CCC(=O)O1)C(N)=O ZINC000851851855 588634927 /nfs/dbraw/zinc/63/49/27/588634927.db2.gz VJDHRESXNGPQGY-IONNQARKSA-N 0 3 228.292 0.182 20 0 BCADHN COC(CCN[C@H](C(N)=O)C(C)(C)C)OC ZINC000851851131 588634941 /nfs/dbraw/zinc/63/49/41/588634941.db2.gz GSYRDPCJXBRLKV-SECBINFHSA-N 0 3 232.324 0.485 20 0 BCADHN CCN1CCN(C[C@@H]2CCC(=O)O2)C[C@@H]1C ZINC000851866828 588636265 /nfs/dbraw/zinc/63/62/65/588636265.db2.gz XBCYXKHJZMWIJX-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H]1COCCN(CCc2cn[nH]n2)C1 ZINC000851865233 588636310 /nfs/dbraw/zinc/63/63/10/588636310.db2.gz AWIVVKUBZCTZNE-VIFPVBQESA-N 0 3 210.281 0.316 20 0 BCADHN CN(CCOC(F)F)C1(C(N)=O)CCCC1 ZINC000851867916 588636677 /nfs/dbraw/zinc/63/66/77/588636677.db2.gz MMLAQZCXJRPNCR-UHFFFAOYSA-N 0 3 236.262 0.956 20 0 BCADHN Cn1ccnc1[C@@H]1CCN(C[C@@H]2CCC(=O)O2)C1 ZINC000851868826 588637122 /nfs/dbraw/zinc/63/71/22/588637122.db2.gz VRVVQUIHPBOYIE-MNOVXSKESA-N 0 3 249.314 0.915 20 0 BCADHN C[C@H]1CN(C[C@@H]2COC(C)(C)O2)CCN1C ZINC000851877753 588638624 /nfs/dbraw/zinc/63/86/24/588638624.db2.gz QKKZQVHIXBJPNS-WDEREUQCSA-N 0 3 228.336 0.774 20 0 BCADHN CC1(C)OC[C@@H](CN2CCC[C@](C)(O)C2)O1 ZINC000851884760 588639915 /nfs/dbraw/zinc/63/99/15/588639915.db2.gz FRDMSHNJNGNVRP-PWSUYJOCSA-N 0 3 229.320 0.985 20 0 BCADHN CCN1C[C@H](C)N(Cc2cnon2)C[C@H]1C ZINC000851883728 588640105 /nfs/dbraw/zinc/64/01/05/588640105.db2.gz IXEFOMHKINPLQG-ZJUUUORDSA-N 0 3 224.308 0.984 20 0 BCADHN COC(CCN(C)CCNC(=O)N(C)C)OC ZINC000851887466 588640726 /nfs/dbraw/zinc/64/07/26/588640726.db2.gz PXQKRVPOUSNINF-UHFFFAOYSA-N 0 3 247.339 0.198 20 0 BCADHN C[C@H](O)[C@H]1CCN(C[C@@H](O)c2ccccn2)C1 ZINC000851912895 588643310 /nfs/dbraw/zinc/64/33/10/588643310.db2.gz PFUKVQDLZHQHCS-GMXVVIOVSA-N 0 3 236.315 0.818 20 0 BCADHN C[C@@H](NCCc1cn[nH]n1)c1cn[nH]c1 ZINC000851935105 588646094 /nfs/dbraw/zinc/64/60/94/588646094.db2.gz MAJQDFKZRRIFHG-SSDOTTSWSA-N 0 3 206.253 0.421 20 0 BCADHN C[C@@H]1CN(CCOC(F)F)CC[C@H]1O ZINC000851958117 588647741 /nfs/dbraw/zinc/64/77/41/588647741.db2.gz XKWYWVHOQSSFAJ-HTQZYQBOSA-N 0 3 209.236 0.928 20 0 BCADHN CN(C[C@H]1CCC(=O)O1)CC1(CO)CC1 ZINC000851967956 588648864 /nfs/dbraw/zinc/64/88/64/588648864.db2.gz HYOYXFIGEUNQMZ-SECBINFHSA-N 0 3 213.277 0.396 20 0 BCADHN CN(C[C@@H](O)c1ccccn1)CC1(CO)CC1 ZINC000851969222 588649139 /nfs/dbraw/zinc/64/91/39/588649139.db2.gz YLPONZSFXNVLLW-GFCCVEGCSA-N 0 3 236.315 0.819 20 0 BCADHN C[C@@H]1CCN(C[C@@H](O)c2ccccn2)[C@H]1CO ZINC000851971520 588649714 /nfs/dbraw/zinc/64/97/14/588649714.db2.gz INSYDRINCLBPDQ-KGYLQXTDSA-N 0 3 236.315 0.818 20 0 BCADHN C[C@H](O)CN(C[C@H]1COC(C)(C)O1)[C@@H](C)CO ZINC000851972845 588650039 /nfs/dbraw/zinc/65/00/39/588650039.db2.gz SOMAJKDQKFIKLV-DCAQKATOSA-N 0 3 247.335 0.202 20 0 BCADHN CN(CCCCO)C[C@@H]1CCC(=O)O1 ZINC000851976174 588650431 /nfs/dbraw/zinc/65/04/31/588650431.db2.gz CNEZVTGTKXYIPA-VIFPVBQESA-N 0 3 201.266 0.396 20 0 BCADHN O=C1CC[C@H](CN2CCc3cc[nH]c(=O)c3C2)O1 ZINC000851983894 588651474 /nfs/dbraw/zinc/65/14/74/588651474.db2.gz FCPCKPWSKWMKMA-SNVBAGLBSA-N 0 3 248.282 0.851 20 0 BCADHN CC1(C)CN(C[C@@H](O)c2ccccn2)C[C@@H]1O ZINC000851998584 588654058 /nfs/dbraw/zinc/65/40/58/588654058.db2.gz VPONAZNSLNIRRM-NEPJUHHUSA-N 0 3 236.315 0.818 20 0 BCADHN CN1CCN(C[C@@H]2CCC(=O)O2)CC1(C)C ZINC000852007837 588654823 /nfs/dbraw/zinc/65/48/23/588654823.db2.gz DYTCNLPFMIMEJI-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN CN(CCOCCO)C[C@@H]1COC(C)(C)O1 ZINC000852014788 588655558 /nfs/dbraw/zinc/65/55/58/588655558.db2.gz VIINLQRJXWZPLR-SNVBAGLBSA-N 0 3 233.308 0.079 20 0 BCADHN CC(C)N(CCOCCO)C[C@@H]1CCC(=O)O1 ZINC000852020165 588655747 /nfs/dbraw/zinc/65/57/47/588655747.db2.gz RYMRIXBAKOSOMH-NSHDSACASA-N 0 3 245.319 0.411 20 0 BCADHN CO[C@H]1C[C@@H](N(C)C[C@@H]2CCC(=O)O2)C1 ZINC000852040126 588656545 /nfs/dbraw/zinc/65/65/45/588656545.db2.gz QYMRVGJMWLNKKX-LPEHRKFASA-N 0 3 213.277 0.801 20 0 BCADHN CN(C[C@H]1CCC(=O)O1)[C@@H]1CCCOC1 ZINC000852041041 588656902 /nfs/dbraw/zinc/65/69/02/588656902.db2.gz YDZRCCDPLNFVNT-NXEZZACHSA-N 0 3 213.277 0.803 20 0 BCADHN CCN1CCN(C[C@@H]2CCC(=O)O2)[C@H](C)C1 ZINC000852040630 588656972 /nfs/dbraw/zinc/65/69/72/588656972.db2.gz LJXOWYCZJXEASG-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN CC1(C)OC[C@@H](CN2C[C@H]3[C@H](CO)[C@H]3C2)O1 ZINC000852075031 588659726 /nfs/dbraw/zinc/65/97/26/588659726.db2.gz HSJOSGMEYLXDLK-ZNSHCXBVSA-N 0 3 227.304 0.308 20 0 BCADHN CO[C@@H](CN1CCCN(C=O)CC1)C1CCC1 ZINC000852073563 588659989 /nfs/dbraw/zinc/65/99/89/588659989.db2.gz UVNWKQZVJGKFOT-ZDUSSCGKSA-N 0 3 240.347 0.966 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2Cc2cnon2)C1 ZINC000852076666 588660038 /nfs/dbraw/zinc/66/00/38/588660038.db2.gz VIIVUFWOFKUJBT-WPRPVWTQSA-N 0 3 208.265 0.206 20 0 BCADHN C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)[C@@H]1C ZINC000852092310 588661142 /nfs/dbraw/zinc/66/11/42/588661142.db2.gz SUTRTPNKNNTIFG-JTNHKYCSSA-N 0 3 248.326 0.700 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@H](C)N1C ZINC000852095123 588661735 /nfs/dbraw/zinc/66/17/35/588661735.db2.gz JPUAYSGNWFWXTR-OUAUKWLOSA-N 0 3 226.320 0.716 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1C[C@H]1COC(C)(C)O1 ZINC000852122753 588665370 /nfs/dbraw/zinc/66/53/70/588665370.db2.gz HSYWRNAHWFCXCY-OUAUKWLOSA-N 0 3 229.320 0.983 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C[C@@H](O)c1ccccn1 ZINC000852143593 588666890 /nfs/dbraw/zinc/66/68/90/588666890.db2.gz PIHSNYSAQFEAFG-YUSALJHKSA-N 0 3 222.288 0.570 20 0 BCADHN O=C1CC[C@H](CN2CCC[C@@H]3COC[C@@H]32)O1 ZINC000852163421 588668886 /nfs/dbraw/zinc/66/88/86/588668886.db2.gz ZQDRBTCQZGVYIW-MXWKQRLJSA-N 0 3 225.288 0.803 20 0 BCADHN CCN1CCCN(CC2OCCO2)[C@@H](C)C1 ZINC000852167374 588669046 /nfs/dbraw/zinc/66/90/46/588669046.db2.gz QHDJQBCPQVQOMG-NSHDSACASA-N 0 3 228.336 0.775 20 0 BCADHN CN(C)C(=O)C1(NC[C@@H]2COC(C)(C)O2)CC1 ZINC000852171486 588669218 /nfs/dbraw/zinc/66/92/18/588669218.db2.gz GYNIVHFFQZBCSW-SECBINFHSA-N 0 3 242.319 0.348 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1C[C@H](O)c1ccccn1 ZINC000852184833 588670379 /nfs/dbraw/zinc/67/03/79/588670379.db2.gz QRMGCTZDQXXSFJ-MDZLAQPJSA-N 0 3 236.315 0.960 20 0 BCADHN C[C@@H](CCO)N(C)C[C@H](O)c1ccccn1 ZINC000852214392 588673013 /nfs/dbraw/zinc/67/30/13/588673013.db2.gz VYTKJJPDIKYWKP-JQWIXIFHSA-N 0 3 224.304 0.818 20 0 BCADHN C[C@@H](O)CN(C[C@@H](O)c1ccccn1)C1CC1 ZINC000852218464 588673513 /nfs/dbraw/zinc/67/35/13/588673513.db2.gz IEKYRPBIQAOKHM-ZWNOBZJWSA-N 0 3 236.315 0.960 20 0 BCADHN C[C@H](O)CCN1CCC2=C(CCC(=O)N2)C1 ZINC000852294580 588676653 /nfs/dbraw/zinc/67/66/53/588676653.db2.gz BSCIKQRRUZVRPB-VIFPVBQESA-N 0 3 224.304 0.627 20 0 BCADHN C[C@@H](O)CCN1CCC2=C(CCC(=O)N2)C1 ZINC000852294579 588676877 /nfs/dbraw/zinc/67/68/77/588676877.db2.gz BSCIKQRRUZVRPB-SECBINFHSA-N 0 3 224.304 0.627 20 0 BCADHN CCC(=O)CCN1CCC[C@@](CO)(OC)C1 ZINC000852411838 588681305 /nfs/dbraw/zinc/68/13/05/588681305.db2.gz LRDIFQQJZOKOJY-GFCCVEGCSA-N 0 3 229.320 0.829 20 0 BCADHN CO[C@@]1(CO)CCCN(CCC(=O)C2CC2)C1 ZINC000852410340 588681356 /nfs/dbraw/zinc/68/13/56/588681356.db2.gz BDDBBMUGRBGHJN-ZDUSSCGKSA-N 0 3 241.331 0.829 20 0 BCADHN O[C@@H]1CCN(CCN2CCCC2)CC1(F)F ZINC000852413526 588681369 /nfs/dbraw/zinc/68/13/69/588681369.db2.gz WMGBIUAGEDXICQ-SNVBAGLBSA-N 0 3 234.290 0.784 20 0 BCADHN CO[C@@H](C)CN1CC[C@@H](N2CCOC2=O)C1 ZINC000852437930 588681924 /nfs/dbraw/zinc/68/19/24/588681924.db2.gz KGSPZWMWEZOKFO-VHSXEESVSA-N 0 3 228.292 0.548 20 0 BCADHN C[C@@H](O)CCCN1CC[C@@H](N2CCOC2=O)C1 ZINC000852438528 588682030 /nfs/dbraw/zinc/68/20/30/588682030.db2.gz SELLVKAUQSXGLK-GHMZBOCLSA-N 0 3 242.319 0.674 20 0 BCADHN COCCCCN1CC[C@@H](N2CCOC2=O)C1 ZINC000852432861 588682069 /nfs/dbraw/zinc/68/20/69/588682069.db2.gz MOHYFDRLAWKAOD-LLVKDONJSA-N 0 3 242.319 0.940 20 0 BCADHN CCOCCCN1CC[C@H](N2CCOC2=O)C1 ZINC000852432820 588682079 /nfs/dbraw/zinc/68/20/79/588682079.db2.gz LQPGJVMFQGAHOY-NSHDSACASA-N 0 3 242.319 0.940 20 0 BCADHN COC(=O)C12CC(C1)CN2CCN1CCCC1 ZINC000852441697 588682504 /nfs/dbraw/zinc/68/25/04/588682504.db2.gz QEWJPMCLXHDKDN-UHFFFAOYSA-N 0 3 238.331 0.720 20 0 BCADHN CC[C@@H](CN1CC[C@@H](N2CCOC2=O)C1)OC ZINC000852444626 588682590 /nfs/dbraw/zinc/68/25/90/588682590.db2.gz WKYYYMIERNUXJU-MNOVXSKESA-N 0 3 242.319 0.938 20 0 BCADHN CC[C@H](CN1CC[C@@H](N2CCOC2=O)C1)OC ZINC000852444623 588682790 /nfs/dbraw/zinc/68/27/90/588682790.db2.gz WKYYYMIERNUXJU-GHMZBOCLSA-N 0 3 242.319 0.938 20 0 BCADHN CN(CC[C@@H]1CCOC1=O)C[C@H]1COCCO1 ZINC000852495313 588685354 /nfs/dbraw/zinc/68/53/54/588685354.db2.gz JCHAYIOQVHQHJU-MNOVXSKESA-N 0 3 243.303 0.287 20 0 BCADHN CN(CCC1OCCCO1)C[C@H]1COCCO1 ZINC000852495632 588685357 /nfs/dbraw/zinc/68/53/57/588685357.db2.gz MBRQZSLVMOSUAQ-NSHDSACASA-N 0 3 245.319 0.487 20 0 BCADHN C[S@@](=O)CCN1CCC[C@@](O)(C2CC2)C1 ZINC000852500396 588685824 /nfs/dbraw/zinc/68/58/24/588685824.db2.gz AEVLXKDLIDMJHU-XHDPSFHLSA-N 0 3 231.361 0.602 20 0 BCADHN CCN1C[C@H](CN2CCC[C@@H]2[C@H](C)O)OC1=O ZINC000852559027 588690294 /nfs/dbraw/zinc/69/02/94/588690294.db2.gz NLFDZHTURSVLCJ-HBNTYKKESA-N 0 3 242.319 0.672 20 0 BCADHN COCCOCCN(C)CCN(C)C(=O)OC ZINC000852568896 588691086 /nfs/dbraw/zinc/69/10/86/588691086.db2.gz UQBIICBDJLKKJE-UHFFFAOYSA-N 0 3 248.323 0.279 20 0 BCADHN O=C1CC[C@H](N2CC[C@@H]3C[C@@H]3C2)C(=O)N1 ZINC000852634437 588693446 /nfs/dbraw/zinc/69/34/46/588693446.db2.gz GVRVMZOHCZTWPI-HLTSFMKQSA-N 0 3 208.261 0.133 20 0 BCADHN O=C1CC[C@H](CN2CCC3(COC3)C2)O1 ZINC000852683010 588695355 /nfs/dbraw/zinc/69/53/55/588695355.db2.gz DYIWMPGVXKTQKR-SECBINFHSA-N 0 3 211.261 0.414 20 0 BCADHN CO[C@@H](C)CN1CCC(N2CCOC2=O)CC1 ZINC000852721211 588698217 /nfs/dbraw/zinc/69/82/17/588698217.db2.gz IUJCWMXSIJNWIE-JTQLQIEISA-N 0 3 242.319 0.938 20 0 BCADHN CC[C@H](C)NC(=O)[C@H]1NCC12CCOCC2 ZINC000852772502 588701434 /nfs/dbraw/zinc/70/14/34/588701434.db2.gz KZXVSXZQZDBORO-VHSXEESVSA-N 0 3 226.320 0.670 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H]1NCC12CCOCC2 ZINC000852772500 588701522 /nfs/dbraw/zinc/70/15/22/588701522.db2.gz KZXVSXZQZDBORO-UWVGGRQHSA-N 0 3 226.320 0.670 20 0 BCADHN CC(C)NC(=O)[C@H]1NCC12CCOCC2 ZINC000852772982 588701595 /nfs/dbraw/zinc/70/15/95/588701595.db2.gz SCDPZPTWHNJNES-SECBINFHSA-N 0 3 212.293 0.280 20 0 BCADHN O=C(NC1CCOCC1)[C@@H]1NCC12CCCC2 ZINC000852771971 588701611 /nfs/dbraw/zinc/70/16/11/588701611.db2.gz WISCNTRVMFFQCF-NSHDSACASA-N 0 3 238.331 0.814 20 0 BCADHN O=C(NC1CC1)[C@@H]1NCC12CCOCC2 ZINC000852774397 588701904 /nfs/dbraw/zinc/70/19/04/588701904.db2.gz UQXMWRHCGQHIIX-VIFPVBQESA-N 0 3 210.277 0.034 20 0 BCADHN Cn1nccc1CNC(=O)[C@@H]1NCC12CCCC2 ZINC000852786403 588702725 /nfs/dbraw/zinc/70/27/25/588702725.db2.gz BUVDSKWFGYZCHU-NSHDSACASA-N 0 3 248.330 0.569 20 0 BCADHN NC[C@@H]1CC(C(=O)NC2CCCCC2)=NO1 ZINC000852799456 588704053 /nfs/dbraw/zinc/70/40/53/588704053.db2.gz HAHPOUJJTYTURG-VIFPVBQESA-N 0 3 225.292 0.539 20 0 BCADHN CN(Cc1ccccc1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852800703 588704154 /nfs/dbraw/zinc/70/41/54/588704154.db2.gz RQVWRIMJIIBOPT-LLVKDONJSA-N 0 3 247.298 0.749 20 0 BCADHN CC[C@H]1CCCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852800696 588704285 /nfs/dbraw/zinc/70/42/85/588704285.db2.gz RMOUUOSKRGORCG-UWVGGRQHSA-N 0 3 239.319 0.881 20 0 BCADHN NC[C@H]1CC(C(=O)N2CCc3ccccc32)=NO1 ZINC000852799916 588704314 /nfs/dbraw/zinc/70/43/14/588704314.db2.gz JEPNNZHMSLVUSP-SNVBAGLBSA-N 0 3 245.282 0.679 20 0 BCADHN Cc1ccc(CNC(=O)C2=NO[C@@H](CN)C2)cc1 ZINC000852801488 588704720 /nfs/dbraw/zinc/70/47/20/588704720.db2.gz NFDLGEDSDLMSIN-LLVKDONJSA-N 0 3 247.298 0.715 20 0 BCADHN Cc1ccccc1CNC(=O)C1=NO[C@H](CN)C1 ZINC000852803625 588704731 /nfs/dbraw/zinc/70/47/31/588704731.db2.gz NLZVDWPIGHUWQQ-NSHDSACASA-N 0 3 247.298 0.715 20 0 BCADHN NC[C@H]1CC(C(=O)NCCC(F)(F)F)=NO1 ZINC000852810800 588704827 /nfs/dbraw/zinc/70/48/27/588704827.db2.gz WBNVTZKUYYJBBA-RXMQYKEDSA-N 0 3 239.197 0.159 20 0 BCADHN CN(C(=O)C1=NO[C@@H](CN)C1)c1nccs1 ZINC000852815235 588704847 /nfs/dbraw/zinc/70/48/47/588704847.db2.gz RVEUJMYWOCRPRG-ZCFIWIBFSA-N 0 3 240.288 0.210 20 0 BCADHN CC(C)CCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852811646 588705123 /nfs/dbraw/zinc/70/51/23/588705123.db2.gz QOSYBLVBMFBPRF-SECBINFHSA-N 0 3 227.308 0.642 20 0 BCADHN CC(C)CN(C(=O)C1=NO[C@H](CN)C1)C(C)C ZINC000852814154 588705159 /nfs/dbraw/zinc/70/51/59/588705159.db2.gz JHCWRWBRAKCOMR-JTQLQIEISA-N 0 3 241.335 0.983 20 0 BCADHN CC1(NC(=O)C2=NO[C@H](CN)C2)CCCC1 ZINC000852818014 588705388 /nfs/dbraw/zinc/70/53/88/588705388.db2.gz OBDQDWYOQGQYOB-QMMMGPOBSA-N 0 3 225.292 0.539 20 0 BCADHN CC[C@H]1CCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852820269 588705688 /nfs/dbraw/zinc/70/56/88/588705688.db2.gz TXSFFINZWCVFBA-DTWKUNHWSA-N 0 3 225.292 0.491 20 0 BCADHN C[C@@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852823093 588705770 /nfs/dbraw/zinc/70/57/70/588705770.db2.gz INRSBAUQRKFKQL-ZJUUUORDSA-N 0 3 239.319 0.739 20 0 BCADHN CCCN(CC(F)F)C(=O)C1=NO[C@H](CN)C1 ZINC000852828557 588706193 /nfs/dbraw/zinc/70/61/93/588706193.db2.gz YRGRJIWKEBZCIW-ZETCQYMHSA-N 0 3 249.261 0.594 20 0 BCADHN CC1(C)CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852829837 588706614 /nfs/dbraw/zinc/70/66/14/588706614.db2.gz FCIQEYQSSZKSEC-VIFPVBQESA-N 0 3 239.319 0.739 20 0 BCADHN CC1(C)CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852838800 588707134 /nfs/dbraw/zinc/70/71/34/588707134.db2.gz PDJYBVJCFZUWMS-QMMMGPOBSA-N 0 3 225.292 0.349 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)Cc1c[nH]cn1 ZINC000852836725 588707180 /nfs/dbraw/zinc/70/71/80/588707180.db2.gz HZZBLXGDLNCZQY-QMMMGPOBSA-N 0 3 222.292 0.509 20 0 BCADHN CC1(CNC(=O)C2=NO[C@H](CN)C2)CCCC1 ZINC000852836930 588707250 /nfs/dbraw/zinc/70/72/50/588707250.db2.gz NWNAOOIJSLGAEG-VIFPVBQESA-N 0 3 239.319 0.787 20 0 BCADHN CC1(C)CCC[C@@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852841602 588707497 /nfs/dbraw/zinc/70/74/97/588707497.db2.gz NPJJIFKJBNCMIZ-SCZZXKLOSA-N 0 3 239.319 0.785 20 0 BCADHN NC[C@@H]1CC(C(=O)NCCC2CC2)=NO1 ZINC000852840967 588707527 /nfs/dbraw/zinc/70/75/27/588707527.db2.gz CEEOAQBFKWWLBO-QMMMGPOBSA-N 0 3 211.265 0.006 20 0 BCADHN CC(C)[C@H](C)CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852844602 588707553 /nfs/dbraw/zinc/70/75/53/588707553.db2.gz XVZRVMLZPKKUBA-RKDXNWHRSA-N 0 3 227.308 0.498 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000852844229 588707615 /nfs/dbraw/zinc/70/76/15/588707615.db2.gz APJIGZFQVRPQNX-DLOVCJGASA-N 0 3 238.331 0.907 20 0 BCADHN CC[C@@H]1C[C@H](C)CN1C(=O)C1=NO[C@H](CN)C1 ZINC000852843406 588707672 /nfs/dbraw/zinc/70/76/72/588707672.db2.gz XEUYZHWPRCABSJ-AEJSXWLSSA-N 0 3 239.319 0.737 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1C(=O)C1=NO[C@H](CN)C1 ZINC000852843407 588707775 /nfs/dbraw/zinc/70/77/75/588707775.db2.gz XEUYZHWPRCABSJ-BBBLOLIVSA-N 0 3 239.319 0.737 20 0 BCADHN CC[C@]1(C)CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852851164 588708173 /nfs/dbraw/zinc/70/81/73/588708173.db2.gz YDCRATJLMWXUKE-BXKDBHETSA-N 0 3 239.319 0.739 20 0 BCADHN CCn1ccc(NC(=O)[C@]2(F)CCNC2)n1 ZINC000852851047 588708320 /nfs/dbraw/zinc/70/83/20/588708320.db2.gz XJSLYJVHPFMLBI-JTQLQIEISA-N 0 3 226.255 0.543 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000852855230 588708523 /nfs/dbraw/zinc/70/85/23/588708523.db2.gz XDQQNZXKTYHOPM-IRCOFANPSA-N 0 3 232.283 0.628 20 0 BCADHN C[C@H](NC(=O)C1=NO[C@@H](CN)C1)c1ccccn1 ZINC000852854158 588708549 /nfs/dbraw/zinc/70/85/49/588708549.db2.gz DCTUPOZJUKDXTC-DTWKUNHWSA-N 0 3 248.286 0.362 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1cnc2ccccn12 ZINC000852854612 588708568 /nfs/dbraw/zinc/70/85/68/588708568.db2.gz LDDRZSWMKGCFMF-JGVFFNPUSA-N 0 3 216.244 0.620 20 0 BCADHN O=C(C=C1CC[NH2+]CC1)[N-]O[C@H]1CCCCO1 ZINC000852856904 588708780 /nfs/dbraw/zinc/70/87/80/588708780.db2.gz XIPGJKRCDQMRIZ-LBPRGKRZSA-N 0 3 240.303 0.871 20 0 BCADHN CN(C(=O)C1=NO[C@@H](CN)C1)[C@H]1CCSC1 ZINC000852874159 588708974 /nfs/dbraw/zinc/70/89/74/588708974.db2.gz LTWNKCUAMIDJTA-JGVFFNPUSA-N 0 3 243.332 0.054 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2C[C@@H]2N)[C@H]1[C@H]1CCCO1 ZINC000852872503 588709762 /nfs/dbraw/zinc/70/97/62/588709762.db2.gz GYPGHHSADNHMCR-YTWAJWBKSA-N 0 3 238.331 0.750 20 0 BCADHN CN(Cc1ccco1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852874648 588709809 /nfs/dbraw/zinc/70/98/09/588709809.db2.gz SVYALIYQGJQBAE-SECBINFHSA-N 0 3 237.259 0.342 20 0 BCADHN CC(C)C[C@@H](C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852883992 588711154 /nfs/dbraw/zinc/71/11/54/588711154.db2.gz CIBXNUIZOIURFV-RKDXNWHRSA-N 0 3 227.308 0.641 20 0 BCADHN C[C@]1(CNC(=O)C2=NO[C@@H](CN)C2)CC1(F)F ZINC000852908547 588712735 /nfs/dbraw/zinc/71/27/35/588712735.db2.gz IZVNYIXZWITQQN-HZGVNTEJSA-N 0 3 247.245 0.252 20 0 BCADHN C[C@@]1(CNC(=O)C2=NO[C@@H](CN)C2)CC1(F)F ZINC000852908549 588712763 /nfs/dbraw/zinc/71/27/63/588712763.db2.gz IZVNYIXZWITQQN-MUWHJKNJSA-N 0 3 247.245 0.252 20 0 BCADHN CC1(C)C[C@]1(C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852915363 588713027 /nfs/dbraw/zinc/71/30/27/588713027.db2.gz DGUOOUUQJKTBHF-HQJQHLMTSA-N 0 3 225.292 0.395 20 0 BCADHN NC[C@@H]1CC(C(=O)NCC2=CCCC2)=NO1 ZINC000852915923 588713190 /nfs/dbraw/zinc/71/31/90/588713190.db2.gz QOJHMNGYIDRFGW-VIFPVBQESA-N 0 3 223.276 0.317 20 0 BCADHN CN(CC1=CCSC1)C(=O)[C@]1(F)CCNC1 ZINC000852920106 588713353 /nfs/dbraw/zinc/71/33/53/588713353.db2.gz KYBCCDLOSDAAJG-NSHDSACASA-N 0 3 244.335 0.820 20 0 BCADHN CN(CC1=CCSC1)C(=O)[C@@]1(F)CCNC1 ZINC000852920105 588713414 /nfs/dbraw/zinc/71/34/14/588713414.db2.gz KYBCCDLOSDAAJG-LLVKDONJSA-N 0 3 244.335 0.820 20 0 BCADHN CCNCC(=O)Nc1ccnc2cc(C)nn21 ZINC000852925373 588713890 /nfs/dbraw/zinc/71/38/90/588713890.db2.gz DTLYSFDUPIBDRV-UHFFFAOYSA-N 0 3 233.275 0.586 20 0 BCADHN CN(C)[C@@H]1[C@H]2CN(C(=O)c3ccc(C=O)[nH]3)C[C@H]21 ZINC000861911690 589182984 /nfs/dbraw/zinc/18/29/84/589182984.db2.gz YQIUEHBRVQZLRL-IAZYJMLFSA-N 0 3 247.298 0.459 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1COCO1 ZINC000861971767 589186577 /nfs/dbraw/zinc/18/65/77/589186577.db2.gz OAHIPDBQPURLGJ-OUAUKWLOSA-N 0 3 242.319 0.348 20 0 BCADHN COC[C@H](O)CNCc1ccnc(F)c1C ZINC000862357144 589202796 /nfs/dbraw/zinc/20/27/96/589202796.db2.gz NXYUVHQHWGOWFV-SNVBAGLBSA-N 0 3 228.267 0.626 20 0 BCADHN COC(=O)CCN1CCC(OC(C)=O)CC1 ZINC000118900320 589203917 /nfs/dbraw/zinc/20/39/17/589203917.db2.gz CCYIVNJOCUXORR-UHFFFAOYSA-N 0 3 229.276 0.577 20 0 BCADHN CN(C[C@@H]1CCC=CO1)[C@@]1(CO)CCOC1 ZINC000862427424 589212630 /nfs/dbraw/zinc/21/26/30/589212630.db2.gz YIGMNVJZEQIQCY-NWDGAFQWSA-N 0 3 227.304 0.762 20 0 BCADHN CCON(CC)C(=O)CN[C@@H](C)[C@@H]1CCOC1 ZINC000862453653 589214963 /nfs/dbraw/zinc/21/49/63/589214963.db2.gz LSLWMVULDCIFGE-WDEREUQCSA-N 0 3 244.335 0.801 20 0 BCADHN CCON(CC)C(=O)CN[C@@H](C)[C@H]1CCOC1 ZINC000862453652 589215062 /nfs/dbraw/zinc/21/50/62/589215062.db2.gz LSLWMVULDCIFGE-QWRGUYRKSA-N 0 3 244.335 0.801 20 0 BCADHN CCOC1CC(NCC(=O)N(CC)OCC)C1 ZINC000862451790 589215157 /nfs/dbraw/zinc/21/51/57/589215157.db2.gz GUPJEDUTLIZACB-UHFFFAOYSA-N 0 3 244.335 0.944 20 0 BCADHN CCON(CC)C(=O)CN[C@H]1CCCOC1 ZINC000862451823 589215207 /nfs/dbraw/zinc/21/52/07/589215207.db2.gz HHAVORFEUCFCGT-JTQLQIEISA-N 0 3 230.308 0.555 20 0 BCADHN CCON(CC)C(=O)CN[C@@H]1CCOC[C@H]1C ZINC000862453785 589215889 /nfs/dbraw/zinc/21/58/89/589215889.db2.gz NJVVYPGKAWTAJA-GHMZBOCLSA-N 0 3 244.335 0.801 20 0 BCADHN Cc1c(CN[C@@H]2CCOC[C@H]2O)ccnc1F ZINC000862531558 589218206 /nfs/dbraw/zinc/21/82/06/589218206.db2.gz AWXMPEYICIZQFY-GHMZBOCLSA-N 0 3 240.278 0.769 20 0 BCADHN COC/C=C\C(=O)NC[C@H]1CCCN1C ZINC000862725955 589236733 /nfs/dbraw/zinc/23/67/33/589236733.db2.gz GGMGLJFGKGJEMU-AYYIZTPMSA-N 0 3 212.293 0.399 20 0 BCADHN CONC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000119067458 589237198 /nfs/dbraw/zinc/23/71/98/589237198.db2.gz QOHGSTNFWKVOCR-VHSXEESVSA-N 0 3 229.324 0.967 20 0 BCADHN CCCCC[C@@H](NC(=O)[C@H](C)N)C(=O)OC ZINC000119248090 589253883 /nfs/dbraw/zinc/25/38/83/589253883.db2.gz VHHYRAHBOZHDHV-DTWKUNHWSA-N 0 3 230.308 0.572 20 0 BCADHN CCCCC[C@@H](NC(=O)[C@H](N)CC)C(=O)OC ZINC000119248831 589253918 /nfs/dbraw/zinc/25/39/18/589253918.db2.gz LXFRUCFILJGAPS-NXEZZACHSA-N 0 3 244.335 0.962 20 0 BCADHN Cc1cnccc1NNC(=S)NC1CC1 ZINC000863205286 589271355 /nfs/dbraw/zinc/27/13/55/589271355.db2.gz FPHFFHIPACSXBY-UHFFFAOYSA-N 0 3 222.317 0.765 20 0 BCADHN CS(=O)(=O)CCNCC[C@@H]1CCCOC1 ZINC000863564252 589299489 /nfs/dbraw/zinc/29/94/89/589299489.db2.gz VRPAFZSKJUSZFY-JTQLQIEISA-N 0 3 235.349 0.437 20 0 BCADHN CON(C)C(=O)[C@H](C)NCC1(O)CCCC1 ZINC000863587765 589302340 /nfs/dbraw/zinc/30/23/40/589302340.db2.gz TVGIMGKEOXUPAV-VIFPVBQESA-N 0 3 230.308 0.289 20 0 BCADHN O=C(C=C1CCCC1)NCCN1CC[C@H](O)C1 ZINC000863831631 589322112 /nfs/dbraw/zinc/32/21/12/589322112.db2.gz LRMIXBMFBRTPML-LBPRGKRZSA-N 0 3 238.331 0.670 20 0 BCADHN CCC/C(C)=C/C(=O)NCCN1CC[C@H](O)C1 ZINC000863832213 589322404 /nfs/dbraw/zinc/32/24/04/589322404.db2.gz VEUWMEQHHPNTAI-ZKQHCESOSA-N 0 3 240.347 0.916 20 0 BCADHN CN(CC(=O)N[C@@H]1CCn2ccnc21)C1CCC1 ZINC000863920683 589326330 /nfs/dbraw/zinc/32/63/30/589326330.db2.gz VNIPLMVPROIUJH-LLVKDONJSA-N 0 3 248.330 0.928 20 0 BCADHN CN(C[C@@H](O)C[C@@](C)(O)C1CC1)C1CC1 ZINC000863968324 589328002 /nfs/dbraw/zinc/32/80/02/589328002.db2.gz HPSFHYOKAPKBSO-NWDGAFQWSA-N 0 3 213.321 0.993 20 0 BCADHN C[C@@](O)(C[C@H](O)CN1CCC[C@@H]1CO)C1CC1 ZINC000863968107 589329560 /nfs/dbraw/zinc/32/95/60/589329560.db2.gz DFMHCLAFWQDQRH-FRRDWIJNSA-N 0 3 243.347 0.355 20 0 BCADHN C[C@@H]1C[C@H](NCc2ccc(N)nn2)[C@H](C)O1 ZINC000864050193 589335519 /nfs/dbraw/zinc/33/55/19/589335519.db2.gz XYLLZOPNMWJMPV-WEDXCCLWSA-N 0 3 222.292 0.714 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000864085224 589342118 /nfs/dbraw/zinc/34/21/18/589342118.db2.gz SYRUNMDPBMMFKQ-JXSWWZISSA-N 0 3 238.331 0.524 20 0 BCADHN CCN1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000119970386 589353208 /nfs/dbraw/zinc/35/32/08/589353208.db2.gz SSZPXZPQQSYHBV-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN CN(C)CCNC(=O)C1CC2(CSC2)C1 ZINC000864415712 589360435 /nfs/dbraw/zinc/36/04/35/589360435.db2.gz CYMLZWCFJUKJTH-UHFFFAOYSA-N 0 3 228.361 0.807 20 0 BCADHN Cc1ccn(C[C@H](C)C(=O)NCCN(C)C)n1 ZINC000864416124 589360823 /nfs/dbraw/zinc/36/08/23/589360823.db2.gz LYANUURUHQVQNB-JTQLQIEISA-N 0 3 238.335 0.505 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)O1 ZINC000864611015 589383255 /nfs/dbraw/zinc/38/32/55/589383255.db2.gz YDLXGWJKBVGXHD-VHSXEESVSA-N 0 3 240.303 0.293 20 0 BCADHN COC/C=C\C(=O)NCCN(C)C1CC1 ZINC000865004166 589404281 /nfs/dbraw/zinc/40/42/81/589404281.db2.gz UVWAQNOWOHTPII-ARJAWSKDSA-N 0 3 212.293 0.399 20 0 BCADHN CC/C=C(\F)C(=O)NCCN(C)CCOC ZINC000865123524 589409946 /nfs/dbraw/zinc/40/99/46/589409946.db2.gz MGUIXUBSSLCZGN-YHYXMXQVSA-N 0 3 232.299 0.944 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)O1)N1CCCC1 ZINC000865176679 589412869 /nfs/dbraw/zinc/41/28/69/589412869.db2.gz WHRHQYIMFHOJBE-NXEZZACHSA-N 0 3 240.303 0.293 20 0 BCADHN C[C@@H]1C[C@@H](NC(=S)NCCN(C)C)[C@H](C)O1 ZINC000865248102 589415690 /nfs/dbraw/zinc/41/56/90/589415690.db2.gz KUIWWGWMGBHCML-KXUCPTDWSA-N 0 3 245.392 0.578 20 0 BCADHN CN(CC[C@@H]1CCOC1=O)[C@@H]1CCOC1 ZINC000120513214 589423545 /nfs/dbraw/zinc/42/35/45/589423545.db2.gz WYJBXDVGDOADMK-NXEZZACHSA-N 0 3 213.277 0.660 20 0 BCADHN COC/C=C\C(=O)NC[C@@H]1CCCN(C)C1 ZINC000865608927 589450792 /nfs/dbraw/zinc/45/07/92/589450792.db2.gz PJPLIGWAYUHQGC-QZPNVGJNSA-N 0 3 226.320 0.647 20 0 BCADHN COC/C=C/C(=O)NC[C@H]1CCCN(C)C1 ZINC000865608925 589450854 /nfs/dbraw/zinc/45/08/54/589450854.db2.gz PJPLIGWAYUHQGC-DUMNWFOQSA-N 0 3 226.320 0.647 20 0 BCADHN CC(C)(O)CN1CC[C@H](NCc2cn[nH]c2)C1 ZINC000865655733 589454553 /nfs/dbraw/zinc/45/45/53/589454553.db2.gz LWRUHYDWFRBXGF-NSHDSACASA-N 0 3 238.335 0.345 20 0 BCADHN Cn1cc(CN[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cn1 ZINC000865691635 589456275 /nfs/dbraw/zinc/45/62/75/589456275.db2.gz CVUNJZFHPOIAFF-JZRPKSSGSA-N 0 3 233.315 0.933 20 0 BCADHN Cn1cncc1CN[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865692455 589456292 /nfs/dbraw/zinc/45/62/92/589456292.db2.gz KOJUCLUHEMTBCW-XZPDDHLCSA-N 0 3 233.315 0.933 20 0 BCADHN c1n[nH]cc1CN[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865695671 589456765 /nfs/dbraw/zinc/45/67/65/589456765.db2.gz NVXPFBODTYVWNO-NGDQXYMTSA-N 0 3 219.288 0.923 20 0 BCADHN c1n[nH]cc1CN[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865695668 589456825 /nfs/dbraw/zinc/45/68/25/589456825.db2.gz NVXPFBODTYVWNO-KKJSVHSVSA-N 0 3 219.288 0.923 20 0 BCADHN Cn1nccc1CN[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865695455 589456891 /nfs/dbraw/zinc/45/68/91/589456891.db2.gz ZHCZQRYAQRBJMV-WXDOIIRRSA-N 0 3 233.315 0.933 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cnc(C2CC2)s1 ZINC000865738850 589459963 /nfs/dbraw/zinc/45/99/63/589459963.db2.gz KUIRABTUNQDTHH-XVKPBYJWSA-N 0 3 242.344 0.852 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1scnc1C1CC1 ZINC000865739537 589460225 /nfs/dbraw/zinc/46/02/25/589460225.db2.gz RIFNTZPZGCXMLQ-VXNVDRBHSA-N 0 3 242.344 0.852 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1cnc2ccccn12 ZINC000865740372 589460297 /nfs/dbraw/zinc/46/02/97/589460297.db2.gz GQBKLWOHLQMBNH-MWLCHTKSSA-N 0 3 235.287 0.166 20 0 BCADHN c1cc(N2CC(NC[C@H]3CCCOC3)C2)ncn1 ZINC000865749726 589460709 /nfs/dbraw/zinc/46/07/09/589460709.db2.gz WNQWXZZSJXLDJB-LLVKDONJSA-N 0 3 248.330 0.681 20 0 BCADHN CN1CCN(C(=O)/C=C/c2ccco2)[C@@H](CN)C1 ZINC000120760040 589462311 /nfs/dbraw/zinc/46/23/11/589462311.db2.gz JIQZTTUEMWNDHC-ZWNMCFTASA-N 0 3 249.314 0.394 20 0 BCADHN CC(C)(CNCc1ccco1)CS(N)(=O)=O ZINC000865814929 589462875 /nfs/dbraw/zinc/46/28/75/589462875.db2.gz MCRRNBXTGIKPRI-UHFFFAOYSA-N 0 3 246.332 0.684 20 0 BCADHN CC(C)(CNCC1(F)CC1)CS(N)(=O)=O ZINC000865814121 589463011 /nfs/dbraw/zinc/46/30/11/589463011.db2.gz QYVJQEJVUAOVHU-UHFFFAOYSA-N 0 3 238.328 0.393 20 0 BCADHN CN1CCn2nc(NCc3cocn3)cc2C1 ZINC000865846116 589464625 /nfs/dbraw/zinc/46/46/25/589464625.db2.gz WTGVJOQRGCQELR-UHFFFAOYSA-N 0 3 233.275 0.929 20 0 BCADHN Cn1cncc1CNc1cc2n(n1)CCN(C)C2 ZINC000865844913 589464739 /nfs/dbraw/zinc/46/47/39/589464739.db2.gz UDLNUIJVVSGLIN-UHFFFAOYSA-N 0 3 246.318 0.674 20 0 BCADHN Cc1noc(C(=O)NCCN2CCC[C@H]2C)n1 ZINC000865947534 589469694 /nfs/dbraw/zinc/46/96/94/589469694.db2.gz RWGHBMAVTXTMEM-MRVPVSSYSA-N 0 3 238.291 0.592 20 0 BCADHN C[C@H]1CCN(CCNC(=O)Nc2ccncn2)C1 ZINC000865947479 589469754 /nfs/dbraw/zinc/46/97/54/589469754.db2.gz YSINHBZHTFRPQX-JTQLQIEISA-N 0 3 249.318 0.940 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)Nc2ccncn2)C1 ZINC000865947480 589469820 /nfs/dbraw/zinc/46/98/20/589469820.db2.gz YSINHBZHTFRPQX-SNVBAGLBSA-N 0 3 249.318 0.940 20 0 BCADHN CC(C)(O)CN1CC[C@H](Nc2cccnn2)C1 ZINC000865998303 589472074 /nfs/dbraw/zinc/47/20/74/589472074.db2.gz BZAJJHOHHFHAPG-JTQLQIEISA-N 0 3 236.319 0.734 20 0 BCADHN C[C@H]1CCC[N@H+](CCCOC([O-])=NC(N)=O)C1 ZINC000120881275 589475353 /nfs/dbraw/zinc/47/53/53/589475353.db2.gz MUMBJSIRDSPPFY-VIFPVBQESA-N 0 3 243.307 0.913 20 0 BCADHN C[C@H]1CCC[N@@H+](CCCOC([O-])=NC(N)=O)C1 ZINC000120881275 589475354 /nfs/dbraw/zinc/47/53/54/589475354.db2.gz MUMBJSIRDSPPFY-VIFPVBQESA-N 0 3 243.307 0.913 20 0 BCADHN C[C@H]1CCC[N@H+](CCCOC(=O)N=C(N)[O-])C1 ZINC000120881275 589475355 /nfs/dbraw/zinc/47/53/55/589475355.db2.gz MUMBJSIRDSPPFY-VIFPVBQESA-N 0 3 243.307 0.913 20 0 BCADHN C[C@H]1CCC[N@@H+](CCCOC(=O)N=C(N)[O-])C1 ZINC000120881275 589475356 /nfs/dbraw/zinc/47/53/56/589475356.db2.gz MUMBJSIRDSPPFY-VIFPVBQESA-N 0 3 243.307 0.913 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCNC[C@@H]1C(F)F ZINC000866665485 589509505 /nfs/dbraw/zinc/50/95/05/589509505.db2.gz GQMYTSSRKRYXLY-LPEHRKFASA-N 0 3 234.290 0.950 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1CC2(CO1)CCOCC2 ZINC000867993727 589542547 /nfs/dbraw/zinc/54/25/47/589542547.db2.gz AGNBIRJVQDAVQB-UWVGGRQHSA-N 0 3 242.319 0.036 20 0 BCADHN NC1(C(=O)NC[C@H]2CCC23CCOCC3)CC1 ZINC000867992590 589542682 /nfs/dbraw/zinc/54/26/82/589542682.db2.gz GMOVBUMJZUVWSI-SNVBAGLBSA-N 0 3 238.331 0.801 20 0 BCADHN CCNCC(=O)NC[C@H]1c2ccccc2CN1C ZINC000867999018 589543056 /nfs/dbraw/zinc/54/30/56/589543056.db2.gz OUUADSZVSYEPIQ-ZDUSSCGKSA-N 0 3 247.342 0.899 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)c1ccnn1C ZINC000868027084 589544916 /nfs/dbraw/zinc/54/49/16/589544916.db2.gz SPXJUXOSSDCOEI-YUMQZZPRSA-N 0 3 210.281 0.205 20 0 BCADHN CCNCC(=O)N[C@@H](C)c1ccnn1C ZINC000868027522 589545191 /nfs/dbraw/zinc/54/51/91/589545191.db2.gz XTIAFWWSSWMURU-QMMMGPOBSA-N 0 3 210.281 0.207 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC1([C@H]2CCCCO2)CCC1 ZINC000868046681 589546545 /nfs/dbraw/zinc/54/65/45/589546545.db2.gz FUMIELUSIBUGSW-HBNTYKKESA-N 0 3 238.331 0.942 20 0 BCADHN CNCC(=O)Nc1nc2c(cccc2OC)[nH]1 ZINC000868062938 589547609 /nfs/dbraw/zinc/54/76/09/589547609.db2.gz PSKHHLVGSQOGRJ-UHFFFAOYSA-N 0 3 234.259 0.729 20 0 BCADHN COc1cccc2[nH]c(NC(=O)[C@@H]3C[C@@H]3N)nc21 ZINC000868063279 589547698 /nfs/dbraw/zinc/54/76/98/589547698.db2.gz RISGGJGDZGYHLX-RQJHMYQMSA-N 0 3 246.270 0.857 20 0 BCADHN CC(C)(N)C(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000868071296 589547735 /nfs/dbraw/zinc/54/77/35/589547735.db2.gz ZJORDEZVYFVOSI-RKDXNWHRSA-N 0 3 228.361 0.935 20 0 BCADHN COc1cccc2[nH]c(NC(=O)[C@@H](C)N)nc21 ZINC000868063553 589547750 /nfs/dbraw/zinc/54/77/50/589547750.db2.gz YEGCDGLLHZMRRS-ZCFIWIBFSA-N 0 3 234.259 0.857 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000868071623 589547932 /nfs/dbraw/zinc/54/79/32/589547932.db2.gz WKLFSBIZDCBCJC-VHSXEESVSA-N 0 3 226.320 0.655 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cnc2nccn2c1 ZINC000868338483 589555607 /nfs/dbraw/zinc/55/56/07/589555607.db2.gz UJILRBYXFFNYTJ-VIFPVBQESA-N 0 3 247.302 0.409 20 0 BCADHN CCn1ncc(C(=O)NOCCN(C)C)c1C ZINC000868628563 589569071 /nfs/dbraw/zinc/56/90/71/589569071.db2.gz ZUGUFHMLXROOTM-UHFFFAOYSA-N 0 3 240.307 0.434 20 0 BCADHN Cc1cc(N[C@@H]2C[C@@H](O)C2(C)C)nc(N)n1 ZINC000122309895 589577796 /nfs/dbraw/zinc/57/77/96/589577796.db2.gz WMSDPHLONBIECL-HTQZYQBOSA-N 0 3 222.292 0.939 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H]1CCOC1=O)N(C)C ZINC000869090609 589587231 /nfs/dbraw/zinc/58/72/31/589587231.db2.gz KQVFUCPSGVBBHN-IUCAKERBSA-N 0 3 228.292 0.004 20 0 BCADHN Cc1cc(NCCC[S@@](C)=O)nc(N)n1 ZINC000123148817 589666289 /nfs/dbraw/zinc/66/62/89/589666289.db2.gz CZWWYPKJSAJRFO-HNNXBMFYSA-N 0 3 228.321 0.548 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)c1ncn(C)n1 ZINC000870547466 589672775 /nfs/dbraw/zinc/67/27/75/589672775.db2.gz HOFLDDMIPMNVIQ-MRVPVSSYSA-N 0 3 226.280 0.312 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)[C@H]1CCC(=O)O1 ZINC000870544015 589673128 /nfs/dbraw/zinc/67/31/28/589673128.db2.gz AJPWKCCAVCWQPI-RKDXNWHRSA-N 0 3 229.276 0.575 20 0 BCADHN CCCC(=O)NCC(=O)O[C@H](CC)CN(C)C ZINC000870550400 589674389 /nfs/dbraw/zinc/67/43/89/589674389.db2.gz FXNUVQWRWRWYEG-SNVBAGLBSA-N 0 3 244.335 0.786 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)CN(C)C(C)=O ZINC000870554319 589675574 /nfs/dbraw/zinc/67/55/74/589675574.db2.gz FCQDVZYQGOLIQX-JTQLQIEISA-N 0 3 230.308 0.348 20 0 BCADHN COC[C@@H](OC)C(=O)O[C@@H](CN(C)C)C(C)C ZINC000870564700 589675637 /nfs/dbraw/zinc/67/56/37/589675637.db2.gz KTGIZAHGPVHZMZ-WDEREUQCSA-N 0 3 247.335 0.777 20 0 BCADHN CC(=O)N(C)CC(=O)O[C@H](CN(C)C)C(C)C ZINC000870571696 589677292 /nfs/dbraw/zinc/67/72/92/589677292.db2.gz RREBVXHTVXZRAG-LLVKDONJSA-N 0 3 244.335 0.594 20 0 BCADHN O=C(NC1COC1)C1CCN(C2CC2)CC1 ZINC000870870409 589692820 /nfs/dbraw/zinc/69/28/20/589692820.db2.gz TZYNQIBLFOSEDJ-UHFFFAOYSA-N 0 3 224.304 0.376 20 0 BCADHN CC[C@@](C)(NC(=O)C1CCN(C)CC1)C(N)=O ZINC000888542495 589696437 /nfs/dbraw/zinc/69/64/37/589696437.db2.gz UPZQJLKNFSNJHB-GFCCVEGCSA-N 0 3 241.335 0.098 20 0 BCADHN O=C(CNC1CC1)N1CC[C@H]2CSC[C@@H]2C1 ZINC000870981775 589704377 /nfs/dbraw/zinc/70/43/77/589704377.db2.gz KCLRRQBKOJFUBO-UWVGGRQHSA-N 0 3 240.372 0.950 20 0 BCADHN O=C(CNC1CC1)N1CC[C@@H]2CSC[C@H]2C1 ZINC000870981774 589704738 /nfs/dbraw/zinc/70/47/38/589704738.db2.gz KCLRRQBKOJFUBO-NXEZZACHSA-N 0 3 240.372 0.950 20 0 BCADHN CNCC(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000870981744 589704806 /nfs/dbraw/zinc/70/48/06/589704806.db2.gz JSDQLZPIEXHVJI-RKDXNWHRSA-N 0 3 214.334 0.417 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000870981817 589704923 /nfs/dbraw/zinc/70/49/23/589704923.db2.gz APOREJIKUHVODV-NXEZZACHSA-N 0 3 240.347 0.604 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000870984744 589705943 /nfs/dbraw/zinc/70/59/43/589705943.db2.gz CPNLRSKTCPMMHZ-WDEREUQCSA-N 0 3 242.363 0.979 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000870984741 589706137 /nfs/dbraw/zinc/70/61/37/589706137.db2.gz CPNLRSKTCPMMHZ-GHMZBOCLSA-N 0 3 242.363 0.979 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000870985005 589706368 /nfs/dbraw/zinc/70/63/68/589706368.db2.gz GVGPLLPMVTYRKM-VHSXEESVSA-N 0 3 228.336 0.589 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)NC1CC1)c1ccnn1C ZINC000871010271 589710737 /nfs/dbraw/zinc/71/07/37/589710737.db2.gz AGMVZTFMPXVWIA-BDAKNGLRSA-N 0 3 236.319 0.738 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1ccn(CCF)n1 ZINC000871011520 589711229 /nfs/dbraw/zinc/71/12/29/589711229.db2.gz UVAKRXDPRIDXQO-MRVPVSSYSA-N 0 3 228.271 0.789 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@H](C)c1ccnn1C ZINC000871011707 589711381 /nfs/dbraw/zinc/71/13/81/589711381.db2.gz XFUSWDHFBJDRQW-NXEZZACHSA-N 0 3 238.335 0.971 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@H](C)c1ccnn1C ZINC000871011712 589711523 /nfs/dbraw/zinc/71/15/23/589711523.db2.gz XFUSWDHFBJDRQW-ZJUUUORDSA-N 0 3 238.335 0.971 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@@H]1CCCn2nccc21 ZINC000871020730 589712907 /nfs/dbraw/zinc/71/29/07/589712907.db2.gz IUGYVZIFXBRSTK-MWLCHTKSSA-N 0 3 248.330 0.975 20 0 BCADHN CCn1cc(CNCC[S@](=O)CC)cn1 ZINC000123683336 589770376 /nfs/dbraw/zinc/77/03/76/589770376.db2.gz JRBORHOWFJVTDM-HNNXBMFYSA-N 0 3 229.349 0.761 20 0 BCADHN NC(=O)[C@H]1CCCCN1CCC1OCCO1 ZINC000123718853 589776761 /nfs/dbraw/zinc/77/67/61/589776761.db2.gz RAXCGGMHDWOONR-SECBINFHSA-N 0 3 228.292 0.089 20 0 BCADHN Cn1ccnc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000871763881 589809237 /nfs/dbraw/zinc/80/92/37/589809237.db2.gz APTQVWLMSKZCKQ-QWRGUYRKSA-N 0 3 248.330 0.729 20 0 BCADHN CC(C)(O)C[C@@H](O)CNCc1ccncc1 ZINC000871965349 589848180 /nfs/dbraw/zinc/84/81/80/589848180.db2.gz NYXRGYYHZTYWFE-LLVKDONJSA-N 0 3 224.304 0.693 20 0 BCADHN CC(C)(O)C[C@H](O)CNCc1ccncc1 ZINC000871965350 589848769 /nfs/dbraw/zinc/84/87/69/589848769.db2.gz NYXRGYYHZTYWFE-NSHDSACASA-N 0 3 224.304 0.693 20 0 BCADHN CC(C)N1CCN(C[C@@H](O)CC(C)(C)O)CC1 ZINC000871972735 589849750 /nfs/dbraw/zinc/84/97/50/589849750.db2.gz VNWVBPCGZNAKRO-LBPRGKRZSA-N 0 3 244.379 0.534 20 0 BCADHN CC(C)OC[C@@H](O)CNC[C@H](O)c1ccco1 ZINC000871973084 589850120 /nfs/dbraw/zinc/85/01/20/589850120.db2.gz KQJKIRVKZDSLOQ-QWRGUYRKSA-N 0 3 243.303 0.689 20 0 BCADHN CC(C)N1CCN(C[C@H](O)CC(C)(C)O)CC1 ZINC000871972734 589850202 /nfs/dbraw/zinc/85/02/02/589850202.db2.gz VNWVBPCGZNAKRO-GFCCVEGCSA-N 0 3 244.379 0.534 20 0 BCADHN COCCC1(C)CN(C[C@@H](O)CC(C)(C)O)C1 ZINC000871980656 589852011 /nfs/dbraw/zinc/85/20/11/589852011.db2.gz MGBMLBTVIDEXRC-NSHDSACASA-N 0 3 245.363 0.867 20 0 BCADHN COCCC1(C)CN(C[C@H](O)CC(C)(C)O)C1 ZINC000871980655 589852148 /nfs/dbraw/zinc/85/21/48/589852148.db2.gz MGBMLBTVIDEXRC-LLVKDONJSA-N 0 3 245.363 0.867 20 0 BCADHN CCOC(=O)[C@H](C)C1CN(C[C@H](O)CC)C1 ZINC000871994444 589855458 /nfs/dbraw/zinc/85/54/58/589855458.db2.gz TXGQFVYSOAAXPW-MWLCHTKSSA-N 0 3 229.320 0.888 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCOC[C@H]1O ZINC000872140999 589881775 /nfs/dbraw/zinc/88/17/75/589881775.db2.gz HPGQWSZWXNTRMJ-AVPPRXQKSA-N 0 3 225.292 0.519 20 0 BCADHN CC(C)(O)C[C@@H](O)CNCCc1cscn1 ZINC000872202565 589890277 /nfs/dbraw/zinc/89/02/77/589890277.db2.gz GQKFHQVZLRBSMU-SNVBAGLBSA-N 0 3 244.360 0.797 20 0 BCADHN CC(C)(O)C[C@@H](O)CNCCc1nccs1 ZINC000872198957 589890455 /nfs/dbraw/zinc/89/04/55/589890455.db2.gz FBTXJVWVSGXQQC-SECBINFHSA-N 0 3 244.360 0.797 20 0 BCADHN CC(C)(O)C[C@H](O)CNC[C@@H](O)C(F)(F)F ZINC000872213681 589894140 /nfs/dbraw/zinc/89/41/40/589894140.db2.gz WVVYXSTUMKVVQA-NKWVEPMBSA-N 0 3 245.241 0.021 20 0 BCADHN CC[C@@H](O)CNCc1ccnc(-n2cncn2)c1 ZINC000872220205 589896550 /nfs/dbraw/zinc/89/65/50/589896550.db2.gz LDAMDBADRLVDJZ-LLVKDONJSA-N 0 3 247.302 0.523 20 0 BCADHN CS[C@H]1C[C@H](NC[C@@H](C)S(C)(=O)=O)C1 ZINC000872224538 589897453 /nfs/dbraw/zinc/89/74/53/589897453.db2.gz FOVNGOTVQHXIOJ-IWSPIJDZSA-N 0 3 237.390 0.903 20 0 BCADHN NC(=O)CCNC[C@H]1CC(=O)c2ccccc2O1 ZINC000872233683 589898303 /nfs/dbraw/zinc/89/83/03/589898303.db2.gz VPXRKLXCWWDNAY-SECBINFHSA-N 0 3 248.282 0.485 20 0 BCADHN CCOCC[C@H](O)CN[C@@H](C)c1ccnn1C ZINC000872237754 589898969 /nfs/dbraw/zinc/89/89/69/589898969.db2.gz AESFEDOUBKLGDI-QWRGUYRKSA-N 0 3 241.335 0.858 20 0 BCADHN CC(C)OC[C@@H](O)CN[C@H](C)c1ccnn1C ZINC000872237783 589899107 /nfs/dbraw/zinc/89/91/07/589899107.db2.gz AOCHWIBZQLRIJV-MNOVXSKESA-N 0 3 241.335 0.857 20 0 BCADHN CC(C)OC1(CNCCS(C)(=O)=O)CCC1 ZINC000872244646 589900050 /nfs/dbraw/zinc/90/00/50/589900050.db2.gz OLNUQKRWTGYSQJ-UHFFFAOYSA-N 0 3 249.376 0.968 20 0 BCADHN CC(C)(C)OC(=O)[C@H]1C[C@H](NCCC(N)=O)C1 ZINC000872249584 589900055 /nfs/dbraw/zinc/90/00/55/589900055.db2.gz XYRMKYVPMFQDFT-KYZUINATSA-N 0 3 242.319 0.572 20 0 BCADHN Cc1cc(CN2C[C@@H]3COC[C@@H]3C2)n(C)n1 ZINC000872265118 589902469 /nfs/dbraw/zinc/90/24/69/589902469.db2.gz DEORRPSFPCJYIB-PHIMTYICSA-N 0 3 221.304 0.807 20 0 BCADHN CCCN(C)CC(=O)N1CCNCCC1(C)C ZINC000872296951 589907306 /nfs/dbraw/zinc/90/73/06/589907306.db2.gz CLIXZDZFJSRAMQ-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN CC[C@H](N)C(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872307798 589908738 /nfs/dbraw/zinc/90/87/38/589908738.db2.gz KCKWRFYETHJFKD-NGZCFLSTSA-N 0 3 212.293 0.552 20 0 BCADHN CCNCC(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872307855 589908804 /nfs/dbraw/zinc/90/88/04/589908804.db2.gz LWVYCQXRLBYJMK-KOLCDFICSA-N 0 3 212.293 0.424 20 0 BCADHN CNC(=O)CCN1CCN(C)c2ncccc2C1 ZINC000872317156 589910554 /nfs/dbraw/zinc/91/05/54/589910554.db2.gz ITRHMZIWWWWANE-UHFFFAOYSA-N 0 3 248.330 0.470 20 0 BCADHN CNC(=O)[C@H]1CCCCN1CCC1OCCO1 ZINC000124083260 589939765 /nfs/dbraw/zinc/93/97/65/589939765.db2.gz BIOKDQZFEXIRAP-SNVBAGLBSA-N 0 3 242.319 0.350 20 0 BCADHN CC[S@@](=O)CCNCc1ccncc1 ZINC000124146044 589951155 /nfs/dbraw/zinc/95/11/55/589951155.db2.gz CXXMSYXCDVMBET-AWEZNQCLSA-N 0 3 212.318 0.940 20 0 BCADHN C[C@@H]1C[C@@H](C)N(CN2CC3(COC3)CC2=O)C1 ZINC000872581787 589954172 /nfs/dbraw/zinc/95/41/72/589954172.db2.gz FXUREBSKALAJJU-GHMZBOCLSA-N 0 3 238.331 0.923 20 0 BCADHN C[S@](=O)CCNCc1cccc(O)c1 ZINC000124164726 589957605 /nfs/dbraw/zinc/95/76/05/589957605.db2.gz LYYASWLSOKVWOJ-CQSZACIVSA-N 0 3 213.302 0.860 20 0 BCADHN Cc1ccc(O)c(CNCC[S@@](C)=O)n1 ZINC000124162729 589957617 /nfs/dbraw/zinc/95/76/17/589957617.db2.gz MRGMYIMJOOSLSQ-HNNXBMFYSA-N 0 3 228.317 0.564 20 0 BCADHN CN1CCN(CN2CCCC2=O)CCC1(C)C ZINC000872695771 589962516 /nfs/dbraw/zinc/96/25/16/589962516.db2.gz YCEVRFJGDDSAOP-UHFFFAOYSA-N 0 3 239.363 0.982 20 0 BCADHN Cc1nonc1CNc1ccnc(CO)c1 ZINC000872777994 589968829 /nfs/dbraw/zinc/96/88/29/589968829.db2.gz XGUQYGXUPABCAL-UHFFFAOYSA-N 0 3 220.232 0.877 20 0 BCADHN C[C@@H](CNCc1ccon1)N1CCN(C)CC1 ZINC000873044167 589981340 /nfs/dbraw/zinc/98/13/40/589981340.db2.gz FMPFZDIMJOOIJX-NSHDSACASA-N 0 3 238.335 0.400 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CCOC(C)(C)C1 ZINC000873133819 589985558 /nfs/dbraw/zinc/98/55/58/589985558.db2.gz KQRPFSVROYWLHX-SNVBAGLBSA-N 0 3 244.335 0.944 20 0 BCADHN O[C@H]1C[C@H](CNCc2cnc3cnccn23)C1 ZINC000873177258 589989886 /nfs/dbraw/zinc/98/98/86/589989886.db2.gz BWHIEQPVFIDPDI-HOMQSWHASA-N 0 3 232.287 0.590 20 0 BCADHN COCCn1cc(CNC[C@H]2C[C@H](O)C2)cn1 ZINC000873177420 589989959 /nfs/dbraw/zinc/98/99/59/589989959.db2.gz KWIVQGHZTXZQIB-UMSPYCQHSA-N 0 3 239.319 0.390 20 0 BCADHN CCN1C[C@@H](C)N(Cc2cnc(N)cn2)C[C@@H]1C ZINC000873208738 589995122 /nfs/dbraw/zinc/99/51/22/589995122.db2.gz UGHNYYQKZJCZOO-WDEREUQCSA-N 0 3 249.362 0.973 20 0 BCADHN Nc1cnc(CNC2(CO)CCCCC2)cn1 ZINC000873210120 589995137 /nfs/dbraw/zinc/99/51/37/589995137.db2.gz VZAZPXBIJMMMJK-UHFFFAOYSA-N 0 3 236.319 0.844 20 0 BCADHN Nc1cnc(CNCCCn2ccnc2)cn1 ZINC000873212231 589996048 /nfs/dbraw/zinc/99/60/48/589996048.db2.gz WXFLRZGMXMKAHV-UHFFFAOYSA-N 0 3 232.291 0.435 20 0 BCADHN CN(CCN1CCCCC1)Cc1cnc(N)cn1 ZINC000873212891 589997376 /nfs/dbraw/zinc/99/73/76/589997376.db2.gz BXUVGKPVCKCNSQ-UHFFFAOYSA-N 0 3 249.362 0.977 20 0 BCADHN C[C@H](CC(N)=O)NCc1cc(N)cc(F)c1 ZINC000873288136 590022753 /nfs/dbraw/zinc/02/27/53/590022753.db2.gz WGDBNPVVFBBMCB-SSDOTTSWSA-N 0 3 225.267 0.761 20 0 BCADHN Cc1nonc1CN[C@H](C)C[C@H]1COCCN1 ZINC000873296065 590024138 /nfs/dbraw/zinc/02/41/38/590024138.db2.gz UXKWGXXIYRXUQD-SCZZXKLOSA-N 0 3 240.307 0.235 20 0 BCADHN C[C@H](NC[C@H]1C[C@H](O)C1)c1cnccc1N ZINC000873296540 590024805 /nfs/dbraw/zinc/02/48/05/590024805.db2.gz HZECXVJBJATMED-GUBZILKMSA-N 0 3 221.304 0.916 20 0 BCADHN CN(C)CCNC(=O)C1(Br)CC1 ZINC000873735395 590070051 /nfs/dbraw/zinc/07/00/51/590070051.db2.gz HOLXQXTYBIWBQZ-UHFFFAOYSA-N 0 3 235.125 0.592 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C1)N1CCCCC1 ZINC000874112158 590092119 /nfs/dbraw/zinc/09/21/19/590092119.db2.gz QINVATYPSWLRJS-SDDRHHMPSA-N 0 3 240.347 0.748 20 0 BCADHN O=C(CN1CCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000874189573 590096700 /nfs/dbraw/zinc/09/67/00/590096700.db2.gz ZDBZFQUROVORPK-NSHDSACASA-N 0 3 237.347 0.435 20 0 BCADHN C[N@@H+]1CC[C@@H](CC(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000874261923 590100417 /nfs/dbraw/zinc/10/04/17/590100417.db2.gz CNYNEMXKNTXGSK-CMPLNLGQSA-N 0 3 242.319 0.903 20 0 BCADHN C[N@H+]1CC[C@@H](CC(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000874261923 590100420 /nfs/dbraw/zinc/10/04/20/590100420.db2.gz CNYNEMXKNTXGSK-CMPLNLGQSA-N 0 3 242.319 0.903 20 0 BCADHN CN1CC[C@@H](CC(=O)NCCC[S@](C)=O)C1 ZINC000874451890 590111762 /nfs/dbraw/zinc/11/17/62/590111762.db2.gz FKWXCUKLWHYMKN-QFYYESIMSA-N 0 3 246.376 0.213 20 0 BCADHN Cc1cccnc1NC(=O)CN1CCNCC1 ZINC000020521261 590118596 /nfs/dbraw/zinc/11/85/96/590118596.db2.gz ROFBFVRKBKFBIM-UHFFFAOYSA-N 0 3 234.303 0.234 20 0 BCADHN C[C@H](C(=O)N1CC[C@H]2[C@H]1CCCN2C)N(C)C ZINC000874822160 590141196 /nfs/dbraw/zinc/14/11/96/590141196.db2.gz GKIBRNVPZUCDEM-GRYCIOLGSA-N 0 3 239.363 0.632 20 0 BCADHN COC/C=C\C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874820734 590141492 /nfs/dbraw/zinc/14/14/92/590141492.db2.gz FMHNJKKWZYFGOB-CZVUKNJHSA-N 0 3 238.331 0.884 20 0 BCADHN COC/C=C/C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874820736 590141614 /nfs/dbraw/zinc/14/16/14/590141614.db2.gz FMHNJKKWZYFGOB-WBIIUDBISA-N 0 3 238.331 0.884 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cccnn1 ZINC000874824530 590142152 /nfs/dbraw/zinc/14/21/52/590142152.db2.gz UYZOKPKYRUJACH-NEPJUHHUSA-N 0 3 246.314 0.785 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)C(C)(C)CO ZINC000874835513 590143109 /nfs/dbraw/zinc/14/31/09/590143109.db2.gz ZMXCQBXMRZABPC-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@H](CO)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874833001 590143587 /nfs/dbraw/zinc/14/35/87/590143587.db2.gz INXRMYMEQKOGQI-IJLUTSLNSA-N 0 3 240.347 0.700 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccnnc1 ZINC000874833845 590144216 /nfs/dbraw/zinc/14/42/16/590144216.db2.gz AWLLPYUIQDSSLI-RYUDHWBXSA-N 0 3 246.314 0.785 20 0 BCADHN Cn1cnc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1 ZINC000874839552 590144462 /nfs/dbraw/zinc/14/44/62/590144462.db2.gz WUJGAXFKURHOFE-NEPJUHHUSA-N 0 3 248.330 0.729 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc[nH]n1 ZINC000874843777 590145331 /nfs/dbraw/zinc/14/53/31/590145331.db2.gz RGPNQIVGWUEHTG-WDEREUQCSA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccn[nH]1 ZINC000874843777 590145332 /nfs/dbraw/zinc/14/53/32/590145332.db2.gz RGPNQIVGWUEHTG-WDEREUQCSA-N 0 3 234.303 0.718 20 0 BCADHN Cn1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)n1 ZINC000874841604 590145347 /nfs/dbraw/zinc/14/53/47/590145347.db2.gz WFYMUCKWPRWLCE-VXGBXAGGSA-N 0 3 248.330 0.729 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H](C(C)(C)O)C1)N(C)C ZINC000874877872 590152435 /nfs/dbraw/zinc/15/24/35/590152435.db2.gz DTJPJMUTVSKNJV-MNOVXSKESA-N 0 3 242.363 0.946 20 0 BCADHN CNC(=S)N[C@H]1CCN(C)[C@H](C)C1 ZINC000126000388 590203650 /nfs/dbraw/zinc/20/36/50/590203650.db2.gz ZLXQTUYLHQFFAX-SFYZADRCSA-N 0 3 201.339 0.563 20 0 BCADHN C[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CN(C)C)[C@H]1C ZINC000876550262 590214735 /nfs/dbraw/zinc/21/47/35/590214735.db2.gz VLDPTWBBRNLHSA-NOOOWODRSA-N 0 3 241.379 0.816 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1cccc2[nH]ccc21 ZINC000876576837 590217763 /nfs/dbraw/zinc/21/77/63/590217763.db2.gz RIQTUCINACPQBC-JTQLQIEISA-N 0 3 246.314 0.995 20 0 BCADHN C[C@H]1CCCC[C@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000876619004 590222431 /nfs/dbraw/zinc/22/24/31/590222431.db2.gz LUMPJBFRNMMVJK-SRVKXCTJSA-N 0 3 241.379 0.818 20 0 BCADHN CCN[C@H](C)C(=O)N(C)[C@@H]1CCCCNC1=O ZINC000876631343 590223705 /nfs/dbraw/zinc/22/37/05/590223705.db2.gz IERRDYQTAUXGRF-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CC1(CN2CCO[C@@H](C(N)=O)C2)CCCC1 ZINC000876657377 590226948 /nfs/dbraw/zinc/22/69/48/590226948.db2.gz FJROVVXRDALHQM-SNVBAGLBSA-N 0 3 226.320 0.753 20 0 BCADHN CC[C@H]1C[C@@H](C)CN1C(=O)[C@@H](N)CN(C)C ZINC000876671165 590228816 /nfs/dbraw/zinc/22/88/16/590228816.db2.gz VRLQUNDRRKOVHV-VWYCJHECSA-N 0 3 227.352 0.522 20 0 BCADHN C[C@H]1CC[C@H](C)N1C(=O)[C@@H](N)CN(C)C ZINC000876703743 590231797 /nfs/dbraw/zinc/23/17/97/590231797.db2.gz NFVWUPZBLZJULK-GUBZILKMSA-N 0 3 213.325 0.275 20 0 BCADHN C[C@H]1CCN(C(=O)[C@@H](N)CN(C)C)[C@H]1C ZINC000876701442 590231940 /nfs/dbraw/zinc/23/19/40/590231940.db2.gz SZKDZRULQRMYRT-GUBZILKMSA-N 0 3 213.325 0.132 20 0 BCADHN Cc1nc[nH]c1C(=O)N[C@@H]1CNCCC1(F)F ZINC000876866936 590251543 /nfs/dbraw/zinc/25/15/43/590251543.db2.gz NZMZJOSRYKUKJI-SSDOTTSWSA-N 0 3 244.245 0.445 20 0 BCADHN C[C@H]1CCN(C(=O)[C@@H](N)CN(C)C)C[C@H]1C ZINC000876884105 590253633 /nfs/dbraw/zinc/25/36/33/590253633.db2.gz INDXBEMKIBKTSJ-AXFHLTTASA-N 0 3 227.352 0.380 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1cc(CC)n(C)n1 ZINC000876929545 590258092 /nfs/dbraw/zinc/25/80/92/590258092.db2.gz KAOTYNKQFGGUBB-QMMMGPOBSA-N 0 3 224.308 0.919 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000876946033 590259874 /nfs/dbraw/zinc/25/98/74/590259874.db2.gz MXRKGHXBTZFTEL-GARJFASQSA-N 0 3 241.379 0.816 20 0 BCADHN C[C@H](Cc1cnccn1)NC[C@H](O)C(F)(F)F ZINC000876966829 590261848 /nfs/dbraw/zinc/26/18/48/590261848.db2.gz WVWHZYJQGJHNSN-APPZFPTMSA-N 0 3 249.236 0.920 20 0 BCADHN C[C@@H](Cc1cnccn1)NC[C@H](O)C(F)(F)F ZINC000876966830 590262191 /nfs/dbraw/zinc/26/21/91/590262191.db2.gz WVWHZYJQGJHNSN-CBAPKCEASA-N 0 3 249.236 0.920 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000876973508 590263115 /nfs/dbraw/zinc/26/31/15/590263115.db2.gz IJWKQBZWTRZODA-YUMQZZPRSA-N 0 3 249.305 0.283 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)CC1=CCSC1 ZINC000876978699 590264298 /nfs/dbraw/zinc/26/42/98/590264298.db2.gz NXMHHJUAXGQBIP-JTQLQIEISA-N 0 3 243.376 0.007 20 0 BCADHN CCn1ncc(CNC(=O)[C@@H](N)C2CCC2)n1 ZINC000876990539 590266156 /nfs/dbraw/zinc/26/61/56/590266156.db2.gz HGFORBJLDKYVHF-JTQLQIEISA-N 0 3 237.307 0.042 20 0 BCADHN CC(C)[C@H]1CNCCN1C(=O)[C@@H](C)NC1CC1 ZINC000876998723 590267553 /nfs/dbraw/zinc/26/75/53/590267553.db2.gz QGYVVQRLSYWTCX-ZYHUDNBSSA-N 0 3 239.363 0.583 20 0 BCADHN COC(=O)C1=CC[C@H](NC(=O)C(C)(C)N)C1 ZINC000877000514 590267641 /nfs/dbraw/zinc/26/76/41/590267641.db2.gz QBYRZZJQKMXNKB-QMMMGPOBSA-N 0 3 226.276 0.102 20 0 BCADHN CCN(CC[NH3+])C(=O)c1ccc(N)cc1[O-] ZINC000877005912 590268320 /nfs/dbraw/zinc/26/83/20/590268320.db2.gz CEKDTLTVZGKWLV-UHFFFAOYSA-N 0 3 223.276 0.395 20 0 BCADHN NCc1cccc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)c1 ZINC000877014538 590269373 /nfs/dbraw/zinc/26/93/73/590269373.db2.gz GAWCCGWOVLGJFS-XYPYZODXSA-N 0 3 247.298 0.139 20 0 BCADHN CN1CC[C@@H](NCc2cc3c(cn2)OCCO3)C1 ZINC000877019834 590269972 /nfs/dbraw/zinc/26/99/72/590269972.db2.gz SMHWOPNORIJGJK-SNVBAGLBSA-N 0 3 249.314 0.647 20 0 BCADHN CCc1cc(CN[C@H]2CCCNC(=O)C2)n[nH]1 ZINC000877033590 590272378 /nfs/dbraw/zinc/27/23/78/590272378.db2.gz GZJWLVOQZSEDNT-JTQLQIEISA-N 0 3 236.319 0.730 20 0 BCADHN CCc1cc(CN[C@H]2CCCNC(=O)C2)[nH]n1 ZINC000877033590 590272379 /nfs/dbraw/zinc/27/23/79/590272379.db2.gz GZJWLVOQZSEDNT-JTQLQIEISA-N 0 3 236.319 0.730 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000877043488 590273943 /nfs/dbraw/zinc/27/39/43/590273943.db2.gz KHYPWSFQJZTNCQ-VEOFNUSFSA-N 0 3 244.310 0.616 20 0 BCADHN O=C(N1CCO[C@@H](CCF)C1)[C@]1(F)CCNC1 ZINC000877061518 590276849 /nfs/dbraw/zinc/27/68/49/590276849.db2.gz JUUIPAAWKNKVFG-ONGXEEELSA-N 0 3 248.273 0.275 20 0 BCADHN CCC[C@](C)(N)C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000877114598 590287899 /nfs/dbraw/zinc/28/78/99/590287899.db2.gz VJGXTCFILQTBHW-LNLATYFQSA-N 0 3 240.303 0.135 20 0 BCADHN NC[C@H]1CC(C(=O)N[C@@H]2CCCC23CC3)=NO1 ZINC000877131672 590290726 /nfs/dbraw/zinc/29/07/26/590290726.db2.gz HOSQZJVZENGOJK-PSASIEDQSA-N 0 3 237.303 0.539 20 0 BCADHN NC1(C(=O)Nc2cccc(-n3nccn3)c2)CC1 ZINC000877139741 590291597 /nfs/dbraw/zinc/29/15/97/590291597.db2.gz YFOJDRMMPQPWQW-UHFFFAOYSA-N 0 3 243.270 0.697 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC(CCF)CC1 ZINC000877148298 590292132 /nfs/dbraw/zinc/29/21/32/590292132.db2.gz WUUHIJFIYCXUAS-NSHDSACASA-N 0 3 245.342 0.474 20 0 BCADHN Nc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c([O-])c1 ZINC000877167741 590295319 /nfs/dbraw/zinc/29/53/19/590295319.db2.gz IEDNFYJRHHPASY-IUCAKERBSA-N 0 3 233.271 0.161 20 0 BCADHN Nc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c([O-])c1 ZINC000877171751 590296197 /nfs/dbraw/zinc/29/61/97/590296197.db2.gz FAPGKCHROLPRBB-AOOOYVTPSA-N 0 3 247.298 0.551 20 0 BCADHN CC(=O)Nc1cccc2c1CN(C(=O)CN)CC2 ZINC000877175334 590296595 /nfs/dbraw/zinc/29/65/95/590296595.db2.gz LZXMFGMJGGHHKE-UHFFFAOYSA-N 0 3 247.298 0.488 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877176179 590296741 /nfs/dbraw/zinc/29/67/41/590296741.db2.gz CCZAYTMNTLOTRB-WUFAPUTGSA-N 0 3 238.331 0.509 20 0 BCADHN Cc1nc[nH]c1C(=O)N1CCNCCC1(C)C ZINC000877232709 590302023 /nfs/dbraw/zinc/30/20/23/590302023.db2.gz ANOCFXKEOTVGHH-UHFFFAOYSA-N 0 3 236.319 0.932 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000877251458 590303825 /nfs/dbraw/zinc/30/38/25/590303825.db2.gz QGCAAQCQKSLSJM-MXWKQRLJSA-N 0 3 242.363 0.979 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)c1ccnn1C ZINC000877264047 590304617 /nfs/dbraw/zinc/30/46/17/590304617.db2.gz JUJQRMFBWDQGEK-IUCAKERBSA-N 0 3 224.308 0.595 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](C)c1ccnn1C ZINC000877264045 590304706 /nfs/dbraw/zinc/30/47/06/590304706.db2.gz JUJQRMFBWDQGEK-BDAKNGLRSA-N 0 3 224.308 0.595 20 0 BCADHN O=C(Nc1ccn(CCF)n1)[C@H]1CCCCN1 ZINC000877264147 590304997 /nfs/dbraw/zinc/30/49/97/590304997.db2.gz KKVAIFYLHWJDHC-SECBINFHSA-N 0 3 240.282 0.933 20 0 BCADHN CN[C@@H](C)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877299803 590308014 /nfs/dbraw/zinc/30/80/14/590308014.db2.gz NYEPKNZZSJMAPB-NKWVEPMBSA-N 0 3 222.235 0.087 20 0 BCADHN O=C([C@@H]1CCCCN1)N1CCO[C@@H](C(F)F)C1 ZINC000877301191 590309040 /nfs/dbraw/zinc/30/90/40/590309040.db2.gz PLPSBJFNFCYLTH-DTWKUNHWSA-N 0 3 248.273 0.621 20 0 BCADHN CC(=O)C1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000877301806 590310145 /nfs/dbraw/zinc/31/01/45/590310145.db2.gz NHUXMBXZXLQRSN-GFCCVEGCSA-N 0 3 242.294 0.516 20 0 BCADHN CCNCC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877311578 590313393 /nfs/dbraw/zinc/31/33/93/590313393.db2.gz YLAAGESRTRABCU-DCAQKATOSA-N 0 3 226.320 0.670 20 0 BCADHN CCNCC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877311579 590313446 /nfs/dbraw/zinc/31/34/46/590313446.db2.gz YLAAGESRTRABCU-GARJFASQSA-N 0 3 226.320 0.670 20 0 BCADHN Nc1cc(F)cc(CNC(=O)CNC2CC2)c1 ZINC000877324852 590317021 /nfs/dbraw/zinc/31/70/21/590317021.db2.gz XNACNRFHGPKIRY-UHFFFAOYSA-N 0 3 237.278 0.776 20 0 BCADHN CCNCC(=O)NCc1cc(N)cc(F)c1 ZINC000877326333 590317356 /nfs/dbraw/zinc/31/73/56/590317356.db2.gz WZIHZLQHOJMJSW-UHFFFAOYSA-N 0 3 225.267 0.634 20 0 BCADHN Nc1cc(F)cc(CNC(=O)C2(N)CC2)c1 ZINC000877325534 590317454 /nfs/dbraw/zinc/31/74/54/590317454.db2.gz JUARYSPTAPFREE-UHFFFAOYSA-N 0 3 223.251 0.515 20 0 BCADHN CNCC(=O)N1CC[C@H](c2nc(C)cs2)C1 ZINC000877352569 590318659 /nfs/dbraw/zinc/31/86/59/590318659.db2.gz YUNSTLFMWNEGGZ-VIFPVBQESA-N 0 3 239.344 0.987 20 0 BCADHN C[C@H]1CN(C(=O)CN)CC[C@@H](C(F)(F)F)O1 ZINC000877383287 590320884 /nfs/dbraw/zinc/32/08/84/590320884.db2.gz FKASZEZZGYQLAX-BQBZGAKWSA-N 0 3 240.225 0.513 20 0 BCADHN NCC(=O)NC1CC(Nc2ccccc2)C1 ZINC000877432233 590326432 /nfs/dbraw/zinc/32/64/32/590326432.db2.gz BTZSOOUAEMQUGM-UHFFFAOYSA-N 0 3 219.288 0.704 20 0 BCADHN CCNCC(=O)N[C@H](C)c1nccnc1C ZINC000877431855 590326465 /nfs/dbraw/zinc/32/64/65/590326465.db2.gz NRFAAERNMTVHER-SECBINFHSA-N 0 3 222.292 0.572 20 0 BCADHN CCn1ncc(NC(=O)CNC2CC2)c1C ZINC000877451175 590329313 /nfs/dbraw/zinc/32/93/13/590329313.db2.gz JYFPGALCYDSTKD-UHFFFAOYSA-N 0 3 222.292 0.902 20 0 BCADHN CCNCC(=O)N(C)C1(COC)CCC1 ZINC000877454030 590330085 /nfs/dbraw/zinc/33/00/85/590330085.db2.gz OFZCXLVTJLZHCX-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CC[C@H](NC(=O)C1=NO[C@@H](CN)C1)C(F)F ZINC000877454906 590330680 /nfs/dbraw/zinc/33/06/80/590330680.db2.gz CULAYZRUBUZEND-RITPCOANSA-N 0 3 235.234 0.250 20 0 BCADHN C[C@H](O)CCNCc1ccc(Cl)nn1 ZINC000877477155 590335939 /nfs/dbraw/zinc/33/59/39/590335939.db2.gz YODFDOFPLDLTOP-ZETCQYMHSA-N 0 3 215.684 0.991 20 0 BCADHN CCCn1cc(CN2CC[C@H]3CN(C)C[C@@H]32)nn1 ZINC000877547091 590353574 /nfs/dbraw/zinc/35/35/74/590353574.db2.gz QMNVLTWDSXGQJG-AAEUAGOBSA-N 0 3 249.362 0.824 20 0 BCADHN CO[C@H](C)[C@H](C)NCCS(=O)(=O)C1CC1 ZINC000877591059 590355795 /nfs/dbraw/zinc/35/57/95/590355795.db2.gz OESGJLGIVUABJI-DTWKUNHWSA-N 0 3 235.349 0.577 20 0 BCADHN CC[C@](C)(CNCCS(=O)(=O)C1CC1)OC ZINC000877590778 590368465 /nfs/dbraw/zinc/36/84/65/590368465.db2.gz HFMFQHFJSGXETM-LLVKDONJSA-N 0 3 249.376 0.968 20 0 BCADHN C[C@@H](NCCS(=O)(=O)C1CC1)[C@H]1CCCO1 ZINC000877590666 590368834 /nfs/dbraw/zinc/36/88/34/590368834.db2.gz CXYLCDRQRYJWJE-MWLCHTKSSA-N 0 3 247.360 0.721 20 0 BCADHN CCN(OC)C(=O)CN[C@@H](C)[C@H]1CCCCO1 ZINC000877606540 590372146 /nfs/dbraw/zinc/37/21/46/590372146.db2.gz DNXLNQXZAXNZOA-WDEREUQCSA-N 0 3 244.335 0.944 20 0 BCADHN CCON(C)C(=O)CNC[C@](C)(OC)C1CC1 ZINC000877611804 590372279 /nfs/dbraw/zinc/37/22/79/590372279.db2.gz AJYGRJBWTINBDN-LBPRGKRZSA-N 0 3 244.335 0.801 20 0 BCADHN CCON(C)C(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000877612968 590372748 /nfs/dbraw/zinc/37/27/48/590372748.db2.gz ZRALKUQSGYNMCC-VHSXEESVSA-N 0 3 230.308 0.553 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CS[C@H](C)C1 ZINC000877612960 590372790 /nfs/dbraw/zinc/37/27/90/590372790.db2.gz ZQDFYEREMZBWFZ-BDAKNGLRSA-N 0 3 232.349 0.880 20 0 BCADHN CCON(C)C(=O)CN[C@H](C)[C@H]1CCCCO1 ZINC000877611987 590372880 /nfs/dbraw/zinc/37/28/80/590372880.db2.gz JEOKPCXRKARKRR-GHMZBOCLSA-N 0 3 244.335 0.944 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CS[C@@H](C)C1 ZINC000877612961 590372892 /nfs/dbraw/zinc/37/28/92/590372892.db2.gz ZQDFYEREMZBWFZ-DTWKUNHWSA-N 0 3 232.349 0.880 20 0 BCADHN CCON(CC)C(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000877651225 590384854 /nfs/dbraw/zinc/38/48/54/590384854.db2.gz SYPBYHLMQCUAOW-WDEREUQCSA-N 0 3 244.335 0.944 20 0 BCADHN COCC1(CN[C@@H](C)C(=O)N(C)OC)CCC1 ZINC000877660215 590386490 /nfs/dbraw/zinc/38/64/90/590386490.db2.gz JWCDWASZIFALAL-JTQLQIEISA-N 0 3 244.335 0.801 20 0 BCADHN CC[C@](C)(CN[C@H](C)C(=O)N(C)OC)OC ZINC000877661285 590386555 /nfs/dbraw/zinc/38/65/55/590386555.db2.gz YGERINUSIUZZMQ-MWLCHTKSSA-N 0 3 232.324 0.799 20 0 BCADHN C[C@]12CN(Cc3ccoc3)C[C@]1(C)C(=O)NC2=O ZINC000877668493 590388998 /nfs/dbraw/zinc/38/89/98/590388998.db2.gz QHDGPEWYIXCSCH-CHWSQXEVSA-N 0 3 248.282 0.764 20 0 BCADHN COC(=O)C1CC(NCc2cncn2C)C1 ZINC000877721709 590401561 /nfs/dbraw/zinc/40/15/61/590401561.db2.gz ZPAXAHMVUMVEFG-UHFFFAOYSA-N 0 3 223.276 0.461 20 0 BCADHN CO[C@H](CC(C)C)CN1CC[C@@H](O)[C@@H](O)C1 ZINC000877750476 590414930 /nfs/dbraw/zinc/41/49/30/590414930.db2.gz QHWQMDDGUGAALI-UTUOFQBUSA-N 0 3 231.336 0.475 20 0 BCADHN CCc1ccc(CN2C[C@H](CO)[C@H](CO)C2)o1 ZINC000877764964 590420755 /nfs/dbraw/zinc/42/07/55/590420755.db2.gz VAITYQIOHGRUQX-PHIMTYICSA-N 0 3 239.315 0.875 20 0 BCADHN OCC1(CO)CCN(C[C@H]2CCCCO2)CC1 ZINC000877798429 590424765 /nfs/dbraw/zinc/42/47/65/590424765.db2.gz RGHQRRGLWYCEMM-GFCCVEGCSA-N 0 3 243.347 0.622 20 0 BCADHN CN(CCS(N)(=O)=O)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000877826041 590427994 /nfs/dbraw/zinc/42/79/94/590427994.db2.gz NIDZJDAKCKRVAH-OUAUKWLOSA-N 0 3 246.376 0.643 20 0 BCADHN C[C@H](CN(C)CCS(N)(=O)=O)C(C)(C)C ZINC000877826037 590428522 /nfs/dbraw/zinc/42/85/22/590428522.db2.gz NGJZXUSJPZSOKI-SECBINFHSA-N 0 3 236.381 0.889 20 0 BCADHN C[C@@H](CN1C(=O)[C@H]2CCCCN2C1=O)N(C)C ZINC000877874578 590434819 /nfs/dbraw/zinc/43/48/19/590434819.db2.gz NLCSFYOZGZRJLM-VHSXEESVSA-N 0 3 239.319 0.753 20 0 BCADHN CC1CC(CN2C(C)C(=O)N(C)S2(=O)=O)C1 ZINC000877889683 590440465 /nfs/dbraw/zinc/44/04/65/590440465.db2.gz KYCAEZPBPJEUKD-QJAFJHJLSA-N 0 3 246.332 0.440 20 0 BCADHN CN(CCc1nnnn1C)Cc1ccccc1 ZINC000877933997 590450935 /nfs/dbraw/zinc/45/09/35/590450935.db2.gz YKTKDSZHZPKWKV-UHFFFAOYSA-N 0 3 231.303 0.885 20 0 BCADHN NC(=O)c1ccc(CCN2CCC[C@@H](O)C2)cc1 ZINC000877936215 590451796 /nfs/dbraw/zinc/45/17/96/590451796.db2.gz WJVQFEPYZSNBNP-CYBMUJFWSA-N 0 3 248.326 0.785 20 0 BCADHN CO[C@H]1C[C@@H](CN(C)CC(=O)N(C)C)C1 ZINC000877940972 590453117 /nfs/dbraw/zinc/45/31/17/590453117.db2.gz XSHZYILKSZKBLT-AOOOYVTPSA-N 0 3 214.309 0.431 20 0 BCADHN OCCN(C[C@H](O)CC1(O)CCCC1)C1CC1 ZINC000877962065 590459406 /nfs/dbraw/zinc/45/94/06/590459406.db2.gz WXTAGXUNICWZDU-GFCCVEGCSA-N 0 3 243.347 0.499 20 0 BCADHN CCN(CC(=O)NC)C[C@H]1C[C@@H](OC)C1 ZINC000877985938 590465361 /nfs/dbraw/zinc/46/53/61/590465361.db2.gz CQQWCXNBEXLVCP-AOOOYVTPSA-N 0 3 214.309 0.479 20 0 BCADHN CCN(CC(=O)NC)C[C@H]1CCO[C@@H]1C ZINC000877987089 590467049 /nfs/dbraw/zinc/46/70/49/590467049.db2.gz ZOQZZGXTOXPURQ-NXEZZACHSA-N 0 3 214.309 0.479 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1CCCOCC1 ZINC000878014386 590471582 /nfs/dbraw/zinc/47/15/82/590471582.db2.gz LPNOLTAZAXJRRJ-SNVBAGLBSA-N 0 3 217.309 0.231 20 0 BCADHN CC(=O)NC1CCN(CC[C@H](O)C(C)C)CC1 ZINC000878018931 590472891 /nfs/dbraw/zinc/47/28/91/590472891.db2.gz NYAHIXMTMTVZEY-ZDUSSCGKSA-N 0 3 242.363 0.994 20 0 BCADHN CNC(=O)[C@H]1CCCCN1CC[C@@H](O)C(C)C ZINC000878034366 590475715 /nfs/dbraw/zinc/47/57/15/590475715.db2.gz DJSHRIGTQHELON-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN CCOC(=O)CCN(C)C[C@@H](O)CC(C)(C)O ZINC000878035814 590476882 /nfs/dbraw/zinc/47/68/82/590476882.db2.gz FJFQSBKGVOPBTH-JTQLQIEISA-N 0 3 247.335 0.393 20 0 BCADHN Cn1nnnc1CCN1CCC(C)(C)CC1 ZINC000878039216 590476993 /nfs/dbraw/zinc/47/69/93/590476993.db2.gz YVAZXIIZMGTVPC-UHFFFAOYSA-N 0 3 223.324 0.875 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCCNC(=O)C1 ZINC000878039460 590477318 /nfs/dbraw/zinc/47/73/18/590477318.db2.gz UQPLRFCJDGJREN-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN CC(C)[C@H](O)CCN1CCNC(=O)CC1 ZINC000878049856 590482364 /nfs/dbraw/zinc/48/23/64/590482364.db2.gz MRUWPNBFUZMHCS-SNVBAGLBSA-N 0 3 214.309 0.215 20 0 BCADHN OCCN(CCO)C[C@@H]1CC2(CCC2)CO1 ZINC000878050076 590482474 /nfs/dbraw/zinc/48/24/74/590482474.db2.gz QGBXIBHLDHCZRK-NSHDSACASA-N 0 3 229.320 0.232 20 0 BCADHN OC[C@@H]1CCCN1C[C@@H](O)CC1(O)CCCC1 ZINC000878054319 590483717 /nfs/dbraw/zinc/48/37/17/590483717.db2.gz BISGAPJAESKGDJ-RYUDHWBXSA-N 0 3 243.347 0.499 20 0 BCADHN CN(C[C@H](O)CC1(O)CCCC1)[C@H]1CCOC1 ZINC000878083948 590488500 /nfs/dbraw/zinc/48/85/00/590488500.db2.gz KJYBJRDZSZAYQQ-NWDGAFQWSA-N 0 3 243.347 0.763 20 0 BCADHN CC(C)[C@H](O)CCN(CCO)CCCO ZINC000878095476 590491378 /nfs/dbraw/zinc/49/13/78/590491378.db2.gz YSNUURUEQCMPOU-LLVKDONJSA-N 0 3 219.325 0.070 20 0 BCADHN COC[C@@H]1CCCN(CCn2cnnn2)C1 ZINC000878103472 590494758 /nfs/dbraw/zinc/49/47/58/590494758.db2.gz MPLMJNRRBPGDIF-SNVBAGLBSA-N 0 3 225.296 0.032 20 0 BCADHN C[C@H]1SCCN(CCc2nnnn2C)[C@H]1C ZINC000878114355 590497817 /nfs/dbraw/zinc/49/78/17/590497817.db2.gz JBSFZTGSFYKMIG-DTWKUNHWSA-N 0 3 241.364 0.578 20 0 BCADHN CO[C@H]1C[C@@H](CN(C)[C@@H]2CCN(C)C2=O)C1 ZINC000878121701 590499273 /nfs/dbraw/zinc/49/92/73/590499273.db2.gz WNGDEWQBHJICMN-OUAUKWLOSA-N 0 3 226.320 0.574 20 0 BCADHN C[C@@H](O)CCN(C)C[C@@H](O)CC1(O)CCCC1 ZINC000878133178 590503783 /nfs/dbraw/zinc/50/37/83/590503783.db2.gz HPNXGSJHGDPWCP-NEPJUHHUSA-N 0 3 245.363 0.745 20 0 BCADHN C[C@H](O)CCN(C)C[C@H](O)CC1(O)CCCC1 ZINC000878133179 590503991 /nfs/dbraw/zinc/50/39/91/590503991.db2.gz HPNXGSJHGDPWCP-NWDGAFQWSA-N 0 3 245.363 0.745 20 0 BCADHN O[C@@H]1C[C@H](O)CN(C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878156391 590508997 /nfs/dbraw/zinc/50/89/97/590508997.db2.gz QVNCYIOYFJAHFP-TUAOUCFPSA-N 0 3 241.331 0.373 20 0 BCADHN CC1(C)CC[C@H](CN2C[C@H](O)C[C@H](O)C2)OC1 ZINC000878156626 590509025 /nfs/dbraw/zinc/50/90/25/590509025.db2.gz VNHWHLZQLCEGKC-GRYCIOLGSA-N 0 3 243.347 0.619 20 0 BCADHN O[C@@H]1CN(CC[C@H]2CCCC2(F)F)C[C@@H]1O ZINC000878160118 590510026 /nfs/dbraw/zinc/51/00/26/590510026.db2.gz GHLNPMMFKHQOEU-BBBLOLIVSA-N 0 3 235.274 0.849 20 0 BCADHN C[C@@]1(O)CCN(C[C@@H](O)CC2(O)CCCC2)C1 ZINC000878165926 590512704 /nfs/dbraw/zinc/51/27/04/590512704.db2.gz HSROTJDBSVAEIO-NWDGAFQWSA-N 0 3 243.347 0.499 20 0 BCADHN c1nnnn1CCN1CC[C@H]1Cc1ccccc1 ZINC000878176446 590515830 /nfs/dbraw/zinc/51/58/30/590515830.db2.gz HZUQQCARNAYBIX-ZDUSSCGKSA-N 0 3 243.314 0.990 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCN2C(=O)OC[C@H]2C1 ZINC000878195532 590521404 /nfs/dbraw/zinc/52/14/04/590521404.db2.gz RZUVLOHJGYHNCF-GARJFASQSA-N 0 3 240.303 0.548 20 0 BCADHN FC(F)C1CCN(CCn2cnnn2)CC1 ZINC000878198856 590522819 /nfs/dbraw/zinc/52/28/19/590522819.db2.gz VMAWQRWXKWVOCV-UHFFFAOYSA-N 0 3 231.250 0.650 20 0 BCADHN CC(C)(C)N(CC(N)=O)C[C@H](O)CC(C)(C)O ZINC000878201988 590524035 /nfs/dbraw/zinc/52/40/35/590524035.db2.gz JEAONLDJTCMHEY-SECBINFHSA-N 0 3 246.351 0.094 20 0 BCADHN c1c[nH]c([C@H]2CCCN2CCn2cnnn2)c1 ZINC000878213641 590525112 /nfs/dbraw/zinc/52/51/12/590525112.db2.gz LMZTZKFHRIJMOZ-LLVKDONJSA-N 0 3 232.291 0.838 20 0 BCADHN C[C@@H](NCc1nnc2c(=O)[nH]ccn12)C(C)(C)C ZINC000878245946 590528322 /nfs/dbraw/zinc/52/83/22/590528322.db2.gz HDILSXYKEBQVSM-MRVPVSSYSA-N 0 3 249.318 0.942 20 0 BCADHN CNC(=O)C1(NCc2cc[nH]c(=O)c2)CCCC1 ZINC000878249788 590529927 /nfs/dbraw/zinc/52/99/27/590529927.db2.gz SENRXZIHDGAKED-UHFFFAOYSA-N 0 3 249.314 0.936 20 0 BCADHN NC(=O)C1(NC[C@H]2CCc3ncnn32)CCCC1 ZINC000878256897 590530424 /nfs/dbraw/zinc/53/04/24/590530424.db2.gz ZPZQLOGKEGJABT-SECBINFHSA-N 0 3 249.318 0.153 20 0 BCADHN NC(=O)C1(NC[C@@H]2CCc3ncnn32)CCCC1 ZINC000878256900 590531052 /nfs/dbraw/zinc/53/10/52/590531052.db2.gz ZPZQLOGKEGJABT-VIFPVBQESA-N 0 3 249.318 0.153 20 0 BCADHN CC[C@](C)(CC(=O)OC)NCC(C)=O ZINC000878270004 590532566 /nfs/dbraw/zinc/53/25/66/590532566.db2.gz SUIHACYFIOUCSQ-SNVBAGLBSA-N 0 3 201.266 0.897 20 0 BCADHN CCOC(=O)[C@H](C)NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000127014284 590533120 /nfs/dbraw/zinc/53/31/20/590533120.db2.gz LDQHVOYGZIXHNM-KXUCPTDWSA-N 0 3 242.319 0.442 20 0 BCADHN CN(CCc1nnnn1C)[C@H](CO)C(C)(C)C ZINC000878284894 590533396 /nfs/dbraw/zinc/53/33/96/590533396.db2.gz MALSFTUZZDDXSD-SECBINFHSA-N 0 3 241.339 0.091 20 0 BCADHN COC(CN1CC[C@H](O)[C@H](C)C1)OC ZINC000127008790 590533457 /nfs/dbraw/zinc/53/34/57/590533457.db2.gz AVDXEONWNFMGRG-BDAKNGLRSA-N 0 3 203.282 0.308 20 0 BCADHN C=C/C=C\CCN1CC[C@@H](S(N)(=O)=O)C1 ZINC000878301055 590537909 /nfs/dbraw/zinc/53/79/09/590537909.db2.gz RITHMSYSAHBGBR-UMBAGQNISA-N 0 3 230.333 0.482 20 0 BCADHN CN(CCc1nnnn1C)[C@H]1CCSC1 ZINC000878304973 590538532 /nfs/dbraw/zinc/53/85/32/590538532.db2.gz STUQCURWCJZCLF-QMMMGPOBSA-N 0 3 227.337 0.190 20 0 BCADHN CN(CCc1nnnn1C)CCc1ccccn1 ZINC000878310598 590539799 /nfs/dbraw/zinc/53/97/99/590539799.db2.gz ZXVSABMLPPDSIT-UHFFFAOYSA-N 0 3 246.318 0.322 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1CCCSCC1 ZINC000878312879 590541154 /nfs/dbraw/zinc/54/11/54/590541154.db2.gz BZFYGEDIWBCMEL-SNVBAGLBSA-N 0 3 233.377 0.947 20 0 BCADHN CCN(C#N)CCN1CCN(C)[C@@H](C)C1 ZINC000878316706 590542843 /nfs/dbraw/zinc/54/28/43/590542843.db2.gz MAWMFYAQBGSNHU-NSHDSACASA-N 0 3 210.325 0.425 20 0 BCADHN C[C@H]1CN(CCc2cnccn2)CCN1C ZINC000878316669 590543034 /nfs/dbraw/zinc/54/30/34/590543034.db2.gz LDHNPTHLNOMWQC-NSHDSACASA-N 0 3 220.320 0.655 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCOC[C@@H]1CCO ZINC000878318744 590544041 /nfs/dbraw/zinc/54/40/41/590544041.db2.gz XBXWTRKJKWPBKC-TUAOUCFPSA-N 0 3 229.320 0.495 20 0 BCADHN CCN1C[C@H](C)N(CCn2cnnn2)C[C@H]1C ZINC000878325932 590545851 /nfs/dbraw/zinc/54/58/51/590545851.db2.gz KYHAFLSYQDLZEM-MNOVXSKESA-N 0 3 238.339 0.088 20 0 BCADHN CCC1(CO)CCN(CCn2cnnn2)CC1 ZINC000878326980 590545923 /nfs/dbraw/zinc/54/59/23/590545923.db2.gz VQXUXJGAGAELFA-UHFFFAOYSA-N 0 3 239.323 0.158 20 0 BCADHN C=C/C=C/CCN1CC[C@@H](NC(N)=O)C1 ZINC000878326444 590545967 /nfs/dbraw/zinc/54/59/67/590545967.db2.gz VBWJKUBNTQJCTL-HMDXOVGESA-N 0 3 209.293 0.861 20 0 BCADHN O=C(COC1CC1)NCCNc1ccncc1 ZINC000878337360 590549792 /nfs/dbraw/zinc/54/97/92/590549792.db2.gz AKDFKHDLKHXRJR-UHFFFAOYSA-N 0 3 235.287 0.211 20 0 BCADHN COC1(C)CCN(CCn2cnnn2)CC1 ZINC000878372876 590556123 /nfs/dbraw/zinc/55/61/23/590556123.db2.gz DAKOKOCDJSHGCK-UHFFFAOYSA-N 0 3 225.296 0.174 20 0 BCADHN CC1(C)CCC[C@H](CNC2(C(N)=O)CC2)O1 ZINC000878384930 590558272 /nfs/dbraw/zinc/55/82/72/590558272.db2.gz JRESCZVBBIBQQU-SECBINFHSA-N 0 3 226.320 0.942 20 0 BCADHN CC(C)[C@@H](O)CCNC1(C(N)=O)CC1 ZINC000878386159 590558714 /nfs/dbraw/zinc/55/87/14/590558714.db2.gz WUTJJYDALJHQCM-QMMMGPOBSA-N 0 3 200.282 0.001 20 0 BCADHN CCc1cnccc1[C@@H](C)NCCn1cnnn1 ZINC000878402493 590560690 /nfs/dbraw/zinc/56/06/90/590560690.db2.gz GAGUOHGCYOTDBI-SNVBAGLBSA-N 0 3 246.318 0.981 20 0 BCADHN Cc1cccnc1NC(=O)CN[C@@H](CO)C1CC1 ZINC000878419918 590564367 /nfs/dbraw/zinc/56/43/67/590564367.db2.gz KJJAMEVPVMYXDL-NSHDSACASA-N 0 3 249.314 0.689 20 0 BCADHN CC(C)C[C@H](CO)N(C)CCn1cnnn1 ZINC000878450970 590567191 /nfs/dbraw/zinc/56/71/91/590567191.db2.gz GBJOBFPWIFJWMO-SNVBAGLBSA-N 0 3 227.312 0.012 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878442401 590568304 /nfs/dbraw/zinc/56/83/04/590568304.db2.gz MVYSMAFZHRJTHL-RXGFPQBGSA-N 0 3 241.331 0.372 20 0 BCADHN CC(C)C[C@@H](CO)N(C)CCn1cnnn1 ZINC000878450969 590569668 /nfs/dbraw/zinc/56/96/68/590569668.db2.gz GBJOBFPWIFJWMO-JTQLQIEISA-N 0 3 227.312 0.012 20 0 BCADHN C[C@@H]1CN(c2ccnc(CO)c2)CC[C@@H]1O ZINC000127155732 590577876 /nfs/dbraw/zinc/57/78/76/590577876.db2.gz UOSCYCBVNAPSOV-SKDRFNHKSA-N 0 3 222.288 0.781 20 0 BCADHN CO[C@@H]1CN(CC[C@@H](O)C(C)C)C[C@@H]1OC ZINC000878505808 590581562 /nfs/dbraw/zinc/58/15/62/590581562.db2.gz TYKKVRSBBRBXIF-UTUOFQBUSA-N 0 3 231.336 0.739 20 0 BCADHN C=C/C=C/CCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000878530417 590587417 /nfs/dbraw/zinc/58/74/17/590587417.db2.gz UOXOIZUHRIOWMD-ITDFMYJTSA-N 0 3 249.314 0.793 20 0 BCADHN CC(C)[C@H](O)CCN[C@@H]1C(=O)NCC[C@H]1C ZINC000878554784 590587815 /nfs/dbraw/zinc/58/78/15/590587815.db2.gz JYXPILFQRUJOLU-MXWKQRLJSA-N 0 3 228.336 0.508 20 0 BCADHN CC(C)[C@H](O)CCN[C@@H]1C(=O)NCC[C@@H]1C ZINC000878554781 590591532 /nfs/dbraw/zinc/59/15/32/590591532.db2.gz JYXPILFQRUJOLU-AXFHLTTASA-N 0 3 228.336 0.508 20 0 BCADHN CO[C@H]1C[C@@H](CN2CC[C@](F)(CO)C2)C1 ZINC000878568743 590592739 /nfs/dbraw/zinc/59/27/39/590592739.db2.gz OHASXROZMCEFAH-OUAUKWLOSA-N 0 3 217.284 0.818 20 0 BCADHN CC(C)[C@H](O)CCN(C)C1(CO)CC1 ZINC000878610501 590596028 /nfs/dbraw/zinc/59/60/28/590596028.db2.gz XTGDGOURCSGXHS-SNVBAGLBSA-N 0 3 201.310 0.850 20 0 BCADHN CO[C@H](C)CN(C)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000878613456 590596301 /nfs/dbraw/zinc/59/63/01/590596301.db2.gz OCDYFZPRJLKVDR-RAIGVLPGSA-N 0 3 245.363 0.865 20 0 BCADHN Cc1cnn([C@@H]2CCN(CCn3cnnn3)C2)c1 ZINC000878631858 590597960 /nfs/dbraw/zinc/59/79/60/590597960.db2.gz FOVWJWNXBJDFCG-LLVKDONJSA-N 0 3 247.306 0.125 20 0 BCADHN CN(Cc1cnc[nH]1)[C@H]1CCN2CCO[C@H]1C2 ZINC000878659273 590604801 /nfs/dbraw/zinc/60/48/01/590604801.db2.gz PGWVPJDWAXNQSN-RYUDHWBXSA-N 0 3 236.319 0.315 20 0 BCADHN CN(C[C@H](O)CC(C)(C)O)CC(C)(C)CO ZINC000878664423 590605606 /nfs/dbraw/zinc/60/56/06/590605606.db2.gz HNJPAYCKGDEYLJ-SNVBAGLBSA-N 0 3 233.352 0.459 20 0 BCADHN CS[C@@H]1CCN(CCc2nnnn2C)C1 ZINC000878665089 590605827 /nfs/dbraw/zinc/60/58/27/590605827.db2.gz DBPBHZPOGPDBDX-MRVPVSSYSA-N 0 3 227.337 0.190 20 0 BCADHN c1nnnn1CCN1CCSC[C@@H]1C1CC1 ZINC000878680651 590608782 /nfs/dbraw/zinc/60/87/82/590608782.db2.gz XPTRDPZDJWMVPU-SNVBAGLBSA-N 0 3 239.348 0.501 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCN(CCO)C[C@@H]2C)C1 ZINC000878695810 590611043 /nfs/dbraw/zinc/61/10/43/590611043.db2.gz YXTIAKZKGHOPAK-RWMBFGLXSA-N 0 3 242.363 0.410 20 0 BCADHN OCC1(NCc2c[nH]cn2)CCSCC1 ZINC000878702356 590611765 /nfs/dbraw/zinc/61/17/65/590611765.db2.gz KNXBAYXPFDZGFO-UHFFFAOYSA-N 0 3 227.333 0.757 20 0 BCADHN OCC1(NCc2cnc[nH]2)CCSCC1 ZINC000878702356 590611766 /nfs/dbraw/zinc/61/17/66/590611766.db2.gz KNXBAYXPFDZGFO-UHFFFAOYSA-N 0 3 227.333 0.757 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCC[C@@H](O)C(C)C ZINC000878706022 590613271 /nfs/dbraw/zinc/61/32/71/590613271.db2.gz PDKSJZRGESRDCC-HBNTYKKESA-N 0 3 217.309 0.397 20 0 BCADHN CC(C)OC(=O)CCN1CC[C@@H](O)[C@H](CO)C1 ZINC000878714175 590614746 /nfs/dbraw/zinc/61/47/46/590614746.db2.gz JWEUJRYHRUQYMX-WDEREUQCSA-N 0 3 245.319 0.003 20 0 BCADHN CO[C@H]1C[C@@H](CN2CC[C@H](NC(C)=O)C2)C1 ZINC000878720940 590615606 /nfs/dbraw/zinc/61/56/06/590615606.db2.gz QXXBVBAKEBWUSR-SDDRHHMPSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@H]1CC2(CCC2)CO1 ZINC000878761598 590619536 /nfs/dbraw/zinc/61/95/36/590619536.db2.gz ONMJFWZFJQECES-IJLUTSLNSA-N 0 3 241.331 0.949 20 0 BCADHN CCN(CCSC)CCc1nnnn1C ZINC000878771680 590620408 /nfs/dbraw/zinc/62/04/08/590620408.db2.gz SCKKAZBJQKIXDB-UHFFFAOYSA-N 0 3 229.353 0.438 20 0 BCADHN CN1CCC[C@H](CNC(=O)COC2CC2)C1 ZINC000878780600 590620997 /nfs/dbraw/zinc/62/09/97/590620997.db2.gz WBTMKKAVMYEGLJ-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN O=C1C[C@H](CN2CCC=C(Cl)C2)CN1 ZINC000878790463 590622478 /nfs/dbraw/zinc/62/24/78/590622478.db2.gz MMEOGUHCAYEGPU-QMMMGPOBSA-N 0 3 214.696 0.951 20 0 BCADHN CCN(CCn1cnnn1)[C@@H]1CCCOC1 ZINC000878805324 590625267 /nfs/dbraw/zinc/62/52/67/590625267.db2.gz JYDWCYCIHARTLF-SNVBAGLBSA-N 0 3 225.296 0.174 20 0 BCADHN CCN1[C@H](C)CN(CC(=O)N(C)OC)C[C@@H]1C ZINC000878835671 590629300 /nfs/dbraw/zinc/62/93/00/590629300.db2.gz CMSBEVHUGSYJGW-PHIMTYICSA-N 0 3 243.351 0.421 20 0 BCADHN NC(=O)[C@@]1(NCCCC2CC2)CCOC1 ZINC000878847508 590632839 /nfs/dbraw/zinc/63/28/39/590632839.db2.gz SXJDFFQSWZQWGI-LLVKDONJSA-N 0 3 212.293 0.411 20 0 BCADHN C[C@@H](O)CN(C[C@@H](O)CC(C)(C)O)C1CC1 ZINC000878848746 590632896 /nfs/dbraw/zinc/63/28/96/590632896.db2.gz AIDUUIGANUNYRO-KOLCDFICSA-N 0 3 231.336 0.354 20 0 BCADHN CN(C(=O)COC1CC1)[C@@H]1CCCN(C)C1 ZINC000878964753 590662409 /nfs/dbraw/zinc/66/24/09/590662409.db2.gz FCUQLYAGHYCBFY-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN CC(C)[C@H](O)CCN1CCN(C)C[C@H]1CO ZINC000879001097 590674697 /nfs/dbraw/zinc/67/46/97/590674697.db2.gz PHAVNMDAILXPIP-NWDGAFQWSA-N 0 3 230.352 0.002 20 0 BCADHN c1nnnn1CCN1CC[C@H]2CC[C@@H](C1)S2 ZINC000879035813 590682333 /nfs/dbraw/zinc/68/23/33/590682333.db2.gz OIYBIZBEDYKTAX-ZJUUUORDSA-N 0 3 239.348 0.643 20 0 BCADHN COCCCN1CCC([C@H](F)C(N)=O)CC1 ZINC000879041359 590683502 /nfs/dbraw/zinc/68/35/02/590683502.db2.gz FAWIIIBKEMBALT-JTQLQIEISA-N 0 3 232.299 0.558 20 0 BCADHN C[C@H](CO)CN1CCC([C@H](F)C(N)=O)CC1 ZINC000879041063 590684110 /nfs/dbraw/zinc/68/41/10/590684110.db2.gz AVHJDJCOFAQEQY-WPRPVWTQSA-N 0 3 232.299 0.150 20 0 BCADHN C[C@H](O)CCN1CCC([C@H](F)C(N)=O)CC1 ZINC000879040186 590684660 /nfs/dbraw/zinc/68/46/60/590684660.db2.gz AXWDUTUFQVAMCN-WPRPVWTQSA-N 0 3 232.299 0.293 20 0 BCADHN CC[C@@H](CN1CCC([C@H](F)C(N)=O)CC1)OC ZINC000879045492 590685194 /nfs/dbraw/zinc/68/51/94/590685194.db2.gz YNBQSYFFQMJNIY-QWRGUYRKSA-N 0 3 246.326 0.947 20 0 BCADHN CCC[C@@H](O)CN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879045009 590685920 /nfs/dbraw/zinc/68/59/20/590685920.db2.gz UWLXTKDDMVISTB-GHMZBOCLSA-N 0 3 246.326 0.683 20 0 BCADHN CC[C@H](CN1CCC([C@H](F)C(N)=O)CC1)OC ZINC000879045491 590685955 /nfs/dbraw/zinc/68/59/55/590685955.db2.gz YNBQSYFFQMJNIY-MNOVXSKESA-N 0 3 246.326 0.947 20 0 BCADHN C[C@@H](NCCc1nnnn1C)c1ccns1 ZINC000879061319 590688050 /nfs/dbraw/zinc/68/80/50/590688050.db2.gz BBYQAUWHTGNDDU-SSDOTTSWSA-N 0 3 238.320 0.560 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)COC2CC2)CN1C1CC1 ZINC000879120278 590699385 /nfs/dbraw/zinc/69/93/85/590699385.db2.gz ZUFVRXXAVRYTKI-NXEZZACHSA-N 0 3 238.331 0.907 20 0 BCADHN COC(=O)[C@@]1(C)CN(CC2OCCO2)C[C@@H]1C ZINC000879134124 590700070 /nfs/dbraw/zinc/70/00/70/590700070.db2.gz UMQHTINGJVHADQ-CABZTGNLSA-N 0 3 243.303 0.490 20 0 BCADHN Cc1noc(NC(=O)NCC2(N(C)C)CC2)n1 ZINC000879131300 590700134 /nfs/dbraw/zinc/70/01/34/590700134.db2.gz ZIQJGHNXXFNCDH-UHFFFAOYSA-N 0 3 239.279 0.594 20 0 BCADHN C[C@]12CN(C/C=C\Cl)C[C@@]1(C)C(=O)NC2=O ZINC000879159919 590706383 /nfs/dbraw/zinc/70/63/83/590706383.db2.gz YXZVASUELRNPET-XCPMARJRSA-N 0 3 242.706 0.724 20 0 BCADHN CCn1ncc(CN(C)Cc2cn[nH]c2C)n1 ZINC000879188211 590709946 /nfs/dbraw/zinc/70/99/46/590709946.db2.gz HWWYNYRVBXCPDV-UHFFFAOYSA-N 0 3 234.307 0.962 20 0 BCADHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1CCO ZINC000879220894 590718054 /nfs/dbraw/zinc/71/80/54/590718054.db2.gz CERRYRVVOTWAPI-UWVGGRQHSA-N 0 3 244.335 0.966 20 0 BCADHN COC(CN1C[C@H](OC)C[C@]1(C)CO)OC ZINC000879261267 590724007 /nfs/dbraw/zinc/72/40/07/590724007.db2.gz HQUFNRBJTWMACX-MWLCHTKSSA-N 0 3 233.308 0.077 20 0 BCADHN CC[C@@]1(O)CCCN([C@H]2CCC(=O)NC2=O)C1 ZINC000879313134 590737087 /nfs/dbraw/zinc/73/70/87/590737087.db2.gz GGIWURMYNRKJRP-JOYOIKCWSA-N 0 3 240.303 0.029 20 0 BCADHN CO[C@@H]1CC[C@@H](C)N(CCN2CCOC2=O)C1 ZINC000879322792 590741828 /nfs/dbraw/zinc/74/18/28/590741828.db2.gz XTPVKKSMTPDDNT-GHMZBOCLSA-N 0 3 242.319 0.938 20 0 BCADHN CN1CC=C(CNC(=O)COC2CC2)CC1 ZINC000879388537 590760030 /nfs/dbraw/zinc/76/00/30/590760030.db2.gz DSCJKAAKYUHSJP-UHFFFAOYSA-N 0 3 224.304 0.544 20 0 BCADHN CCNC(=O)CN[C@@](C)(CC(=O)OC)C1CC1 ZINC000879438517 590770303 /nfs/dbraw/zinc/77/03/03/590770303.db2.gz IUMKUQWVNCUNEV-LBPRGKRZSA-N 0 3 242.319 0.444 20 0 BCADHN CNC(=O)CN[C@@](C)(CC(=O)OC)C1CC1 ZINC000879438391 590770355 /nfs/dbraw/zinc/77/03/55/590770355.db2.gz IAZXCFVVRCJOTG-NSHDSACASA-N 0 3 228.292 0.054 20 0 BCADHN COC[C@@H](C)N(CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879485860 590779533 /nfs/dbraw/zinc/77/95/33/590779533.db2.gz HZDAZMSDRKROIE-SKDRFNHKSA-N 0 3 240.347 0.997 20 0 BCADHN CN(C)CCN(C(=O)[C@H]1CCC(=O)O1)C1CC1 ZINC000879527882 590789126 /nfs/dbraw/zinc/78/91/26/590789126.db2.gz DBVHFWSVAKQQQF-SNVBAGLBSA-N 0 3 240.303 0.245 20 0 BCADHN CCNC(=O)CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879555158 590799470 /nfs/dbraw/zinc/79/94/70/590799470.db2.gz KPAZBRIRTSANRA-NXEZZACHSA-N 0 3 228.361 0.807 20 0 BCADHN O=C(CN1CC[C@@H]2CSC[C@@H]2C1)N1CCC1 ZINC000879558736 590801128 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O=C1CC[C@@H](N2CCC[C@@H](CF)C2)C(=O)N1 ZINC000880237300 590968711 /nfs/dbraw/zinc/96/87/11/590968711.db2.gz UWJWZZBZVFZFND-DTWKUNHWSA-N 0 3 228.267 0.473 20 0 BCADHN O[C@H](Cn1cccn1)CN1CCC(F)CC1 ZINC000880243351 590977111 /nfs/dbraw/zinc/97/71/11/590977111.db2.gz XXUIDDUOJSEIIR-NSHDSACASA-N 0 3 227.283 0.678 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@@H](CF)C1 ZINC000880291385 590983508 /nfs/dbraw/zinc/98/35/08/590983508.db2.gz LWZIIFOKJMVIHO-BDAKNGLRSA-N 0 3 202.273 0.755 20 0 BCADHN COCCOCCN1CC[C@H](CF)C1 ZINC000880294371 590988281 /nfs/dbraw/zinc/98/82/81/590988281.db2.gz VDSAJZVKFDFOAB-SNVBAGLBSA-N 0 3 205.273 0.941 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CC[C@@H](CF)C1 ZINC000880298755 590992938 /nfs/dbraw/zinc/99/29/38/590992938.db2.gz JKQAUWWLNYLVIF-ONGXEEELSA-N 0 3 233.283 0.592 20 0 BCADHN C[C@H]1CN(CCN2CC[C@H](CF)C2)CCO1 ZINC000880299413 590994246 /nfs/dbraw/zinc/99/42/46/590994246.db2.gz SNVBYRLXQRRSAD-NWDGAFQWSA-N 0 3 230.327 0.999 20 0 BCADHN O=C1CC[C@@H](CN2CC[C@@H](CF)C2)N1 ZINC000880300448 590996733 /nfs/dbraw/zinc/99/67/33/590996733.db2.gz SWGWPLTXVSGVNL-IUCAKERBSA-N 0 3 200.257 0.556 20 0 BCADHN CCN1CC[C@@H](N2CC[C@@H](CF)C2)C1=O ZINC000880300455 590997518 /nfs/dbraw/zinc/99/75/18/590997518.db2.gz SXFBZKRUAOCGOI-VHSXEESVSA-N 0 3 214.284 0.899 20 0 BCADHN CCC(=O)CCN1C[C@@H]2CN(C(C)=O)C[C@@H]2C1 ZINC000880311470 590999888 /nfs/dbraw/zinc/99/98/88/590999888.db2.gz HUIFTHVLRSJHIJ-TXEJJXNPSA-N 0 3 238.331 0.766 20 0 BCADHN CCC[C@@H](O)CN(CC(N)=O)C1CCOCC1 ZINC000880395614 591017705 /nfs/dbraw/zinc/01/77/05/591017705.db2.gz NHIMJZVAAKIHGJ-LLVKDONJSA-N 0 3 244.335 0.114 20 0 BCADHN O=C1O[C@H](CN2C[C@@H]3C[C@]3(O)C2)CC12CCC2 ZINC000880418726 591027274 /nfs/dbraw/zinc/02/72/74/591027274.db2.gz DJOFOCUBYDHWQO-KWBADKCTSA-N 0 3 237.299 0.539 20 0 BCADHN O=C1O[C@H](CN2C[C@@H]3C[C@]3(O)C2)CC12CC2 ZINC000880419953 591028665 /nfs/dbraw/zinc/02/86/65/591028665.db2.gz UKPZPKJWZUWLDM-AUTRQRHGSA-N 0 3 223.272 0.149 20 0 BCADHN O=C(CCN1C[C@@H]2C[C@]2(O)C1)N1CCCC1 ZINC000880420001 591029047 /nfs/dbraw/zinc/02/90/47/591029047.db2.gz VOZONBPUGIPAMW-JQWIXIFHSA-N 0 3 224.304 0.066 20 0 BCADHN CO[C@@H]1COCC[C@H]1N(C)Cc1cnc[nH]1 ZINC000880432127 591034848 /nfs/dbraw/zinc/03/48/48/591034848.db2.gz KSBOLNLPFONQTO-GHMZBOCLSA-N 0 3 225.292 0.645 20 0 BCADHN CO[C@@H]1COCC[C@H]1N(C)C[C@H]1COCCO1 ZINC000880435579 591036578 /nfs/dbraw/zinc/03/65/78/591036578.db2.gz NANSSHAYSDJNJI-QJPTWQEYSA-N 0 3 245.319 0.138 20 0 BCADHN CO[C@@H]1COCC[C@@H]1N(C)C[C@H]1COCCO1 ZINC000880435580 591037293 /nfs/dbraw/zinc/03/72/93/591037293.db2.gz NANSSHAYSDJNJI-SDDRHHMPSA-N 0 3 245.319 0.138 20 0 BCADHN CO[C@@H]1COCC[C@@H]1N(C)C[C@H]1CCC(=O)O1 ZINC000880438006 591039605 /nfs/dbraw/zinc/03/96/05/591039605.db2.gz VPGHXRPQMMFFRK-OUAUKWLOSA-N 0 3 243.303 0.428 20 0 BCADHN CCOC(=O)COCCN1[C@@H](C)CC[C@H]1CO ZINC000880444030 591046477 /nfs/dbraw/zinc/04/64/77/591046477.db2.gz PSWAGGANYGISSR-QWRGUYRKSA-N 0 3 245.319 0.411 20 0 BCADHN C[C@H]1CCCN1C(=O)CCN1CC=C[C@@H]1CO ZINC000880485337 591057477 /nfs/dbraw/zinc/05/74/77/591057477.db2.gz BZTGKIXTAJEFFO-NWDGAFQWSA-N 0 3 238.331 0.620 20 0 BCADHN CCCCNC(=O)CCN1CC=C[C@H]1CO ZINC000880486587 591060494 /nfs/dbraw/zinc/06/04/94/591060494.db2.gz PMQCULBXXFFEIU-NSHDSACASA-N 0 3 226.320 0.526 20 0 BCADHN O=C1OCC[C@H]1CCN1CC=C[C@@H]1CO ZINC000880485776 591061186 /nfs/dbraw/zinc/06/11/86/591061186.db2.gz HJLHPUGTCZZJHC-NXEZZACHSA-N 0 3 211.261 0.172 20 0 BCADHN OC[C@@H]1C=CCN1CCc1ccccn1 ZINC000880487475 591062833 /nfs/dbraw/zinc/06/28/33/591062833.db2.gz ZUXZKHQITSKMIV-LBPRGKRZSA-N 0 3 204.273 0.857 20 0 BCADHN OC[C@@H]1C=CCN1CCCn1ccnc1 ZINC000880489121 591066870 /nfs/dbraw/zinc/06/68/70/591066870.db2.gz QMCQUTINLSTDPW-NSHDSACASA-N 0 3 207.277 0.506 20 0 BCADHN Cn1cncc1CCCN1CC=C[C@H]1CO ZINC000880492268 591068133 /nfs/dbraw/zinc/06/81/33/591068133.db2.gz PKDYCLOHRSWHGW-LBPRGKRZSA-N 0 3 221.304 0.585 20 0 BCADHN CC(C)CNC(=O)CCCN1CC=C[C@@H]1CO ZINC000880492378 591068836 /nfs/dbraw/zinc/06/88/36/591068836.db2.gz 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FYIXDIOJHXZJFX-GFCCVEGCSA-N 0 3 245.319 0.413 20 0 BCADHN CCCCOCCN1CC[C@](O)(C(=O)OC)C1 ZINC000880562197 591094526 /nfs/dbraw/zinc/09/45/26/591094526.db2.gz VRRXXYHSSOEJTR-GFCCVEGCSA-N 0 3 245.319 0.413 20 0 BCADHN CCOCCCN1CC[C@@](O)(C(=O)OC)C1 ZINC000880562937 591094767 /nfs/dbraw/zinc/09/47/67/591094767.db2.gz VMJKUFUFVSXMLO-NSHDSACASA-N 0 3 231.292 0.023 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CC2=CCCC2)C1 ZINC000880567599 591095958 /nfs/dbraw/zinc/09/59/58/591095958.db2.gz KUVAVXLCPSQMTN-GFCCVEGCSA-N 0 3 225.288 0.707 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)CC1(C)COC1 ZINC000880591078 591101355 /nfs/dbraw/zinc/10/13/55/591101355.db2.gz XCSRGPKBDRIKBJ-JTQLQIEISA-N 0 3 228.336 0.855 20 0 BCADHN CC[C@H](O)CN(C)[C@@H](CC(C)C)C(N)=O ZINC000880587569 591101398 /nfs/dbraw/zinc/10/13/98/591101398.db2.gz HLZNACAYPRGFGE-UWVGGRQHSA-N 0 3 216.325 0.589 20 0 BCADHN CC(=O)CCN1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880589353 591101640 /nfs/dbraw/zinc/10/16/40/591101640.db2.gz POKSZFREMCUTNQ-LBPRGKRZSA-N 0 3 241.331 0.829 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)C[C@H](C)O ZINC000880590358 591103443 /nfs/dbraw/zinc/10/34/43/591103443.db2.gz OPPPOZKOPSPGRS-IUCAKERBSA-N 0 3 202.298 0.199 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)C[C@@H](O)C(C)C ZINC000880590063 591103873 /nfs/dbraw/zinc/10/38/73/591103873.db2.gz KMTJSYBPUIQFLO-WDEREUQCSA-N 0 3 230.352 0.835 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)CCn1ccnc1 ZINC000880590363 591104118 /nfs/dbraw/zinc/10/41/18/591104118.db2.gz OTNXKBXVAXDUJN-NSHDSACASA-N 0 3 238.335 0.715 20 0 BCADHN Cn1cc(CCN2CCc3ncncc3C2)cn1 ZINC000880595361 591104840 /nfs/dbraw/zinc/10/48/40/591104840.db2.gz PTVIVIFHFUPKJQ-UHFFFAOYSA-N 0 3 243.314 0.811 20 0 BCADHN CCN(CC)CC(=O)NC1CSC1 ZINC000880735739 591135030 /nfs/dbraw/zinc/13/50/30/591135030.db2.gz SOZZIUJPBJFREJ-UHFFFAOYSA-N 0 3 202.323 0.560 20 0 BCADHN C/C=C\C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000211260411 591152931 /nfs/dbraw/zinc/15/29/31/591152931.db2.gz PBDUPIKEMJGPDY-RQVXFDJMSA-N 0 3 224.304 0.542 20 0 BCADHN COc1ccc(Cn2cc([C@@H](C)N)nn2)cn1 ZINC000881302255 591183810 /nfs/dbraw/zinc/18/38/10/591183810.db2.gz PRTAWBFWJLSBJN-MRVPVSSYSA-N 0 3 233.275 0.750 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)n1cc([C@@H](C)N)nn1 ZINC000881346027 591194272 /nfs/dbraw/zinc/19/42/72/591194272.db2.gz KWVHLXORFVJAPO-RKDXNWHRSA-N 0 3 239.323 0.726 20 0 BCADHN CC[C@H](N)c1cn(Cc2cnon2)nn1 ZINC000881358718 591195154 /nfs/dbraw/zinc/19/51/54/591195154.db2.gz DHTZRRJBLPSWGS-ZETCQYMHSA-N 0 3 208.225 0.119 20 0 BCADHN C[C@H](N)c1cn(C[C@@H]2CCO[C@H]2C)nn1 ZINC000881366326 591196261 /nfs/dbraw/zinc/19/62/61/591196261.db2.gz DAROGGLUCIAXTE-CIUDSAMLSA-N 0 3 210.281 0.723 20 0 BCADHN C[C@H](N)c1cn(Cc2ccnc(N(C)C)c2)nn1 ZINC000881365365 591196405 /nfs/dbraw/zinc/19/64/05/591196405.db2.gz CNLSSKCLCIRTDI-VIFPVBQESA-N 0 3 246.318 0.807 20 0 BCADHN C[C@@H](N)c1cn(CCOCC(F)F)nn1 ZINC000881367630 591196883 /nfs/dbraw/zinc/19/68/83/591196883.db2.gz BILBFIHCWRJLRI-ZCFIWIBFSA-N 0 3 220.223 0.580 20 0 BCADHN CC(C(=O)NC[C@]1(C)CC1(C)C)S(C)(=O)=O ZINC000881540070 591233747 /nfs/dbraw/zinc/23/37/47/591233747.db2.gz CUCJVGOQWJEMAK-KCJUWKMLSA-N 0 3 247.360 0.972 20 0 BCADHN Cc1ncnc(NC[C@@H](O)CN(C)C)c1C ZINC000881796152 591271897 /nfs/dbraw/zinc/27/18/97/591271897.db2.gz UKOHGXFGJYEIIA-SNVBAGLBSA-N 0 3 224.308 0.428 20 0 BCADHN C[C@H](CC(N)=O)NC[C@@H](O)c1ccco1 ZINC000129263306 591273333 /nfs/dbraw/zinc/27/33/33/591273333.db2.gz VUKKZLJGYKTLET-HTQZYQBOSA-N 0 3 212.249 0.167 20 0 BCADHN CC(C)[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)N(C)C ZINC000882338802 591333878 /nfs/dbraw/zinc/33/38/78/591333878.db2.gz CNYIBLVMSYLGIH-UMNHJUIQSA-N 0 3 226.320 0.166 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C ZINC000882486281 591360573 /nfs/dbraw/zinc/36/05/73/591360573.db2.gz PCROKQZMKMVLCI-MNOVXSKESA-N 0 3 225.336 0.291 20 0 BCADHN CCN1CC[C@H]1CNC(=O)CCn1ccnc1 ZINC000882484880 591362170 /nfs/dbraw/zinc/36/21/70/591362170.db2.gz MRQSBDQZXNOCKB-NSHDSACASA-N 0 3 236.319 0.484 20 0 BCADHN CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cncc([O-])c1 ZINC000882494184 591375439 /nfs/dbraw/zinc/37/54/39/591375439.db2.gz OGTALODRTGVQBT-LLVKDONJSA-N 0 3 249.314 0.540 20 0 BCADHN CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cncc([O-])c1 ZINC000882494184 591375443 /nfs/dbraw/zinc/37/54/43/591375443.db2.gz OGTALODRTGVQBT-LLVKDONJSA-N 0 3 249.314 0.540 20 0 BCADHN CN1CC[C@@H]2CN(c3ncc(C=O)cn3)CC[C@@H]21 ZINC000882700490 591413548 /nfs/dbraw/zinc/41/35/48/591413548.db2.gz UURFQZWIYHOQMC-NEPJUHHUSA-N 0 3 246.314 0.820 20 0 BCADHN CCS(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882768444 591434379 /nfs/dbraw/zinc/43/43/79/591434379.db2.gz DZVKBYOXUHWVRT-UHFFFAOYSA-N 0 3 246.376 0.896 20 0 BCADHN Nc1nc(N)nc(N2CCC[C@@H](CF)C2)n1 ZINC000882803759 591445084 /nfs/dbraw/zinc/44/50/84/591445084.db2.gz DOQYDVDMZMXSJG-LURJTMIESA-N 0 3 226.259 0.222 20 0 BCADHN CC[C@H](O)CN1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000130239151 591448991 /nfs/dbraw/zinc/44/89/91/591448991.db2.gz WLPATURYWLSALQ-XQQFMLRXSA-N 0 3 244.379 0.798 20 0 BCADHN Cn1nc2c(c1CNCCO)CSCC2 ZINC000882880463 591462254 /nfs/dbraw/zinc/46/22/54/591462254.db2.gz TZURAPHXRKHBGZ-UHFFFAOYSA-N 0 3 227.333 0.291 20 0 BCADHN CCN1CC[C@@H]1CNc1cc2nnc(C)n2cn1 ZINC000882960758 591484916 /nfs/dbraw/zinc/48/49/16/591484916.db2.gz UUVJKLYHEIPLEG-SNVBAGLBSA-N 0 3 246.318 0.939 20 0 BCADHN CCN1CC[C@@H]1CNc1cncc2ncnn21 ZINC000882960390 591485391 /nfs/dbraw/zinc/48/53/91/591485391.db2.gz IPXDGRREXAJLAX-SECBINFHSA-N 0 3 232.291 0.630 20 0 BCADHN CCN1CC[C@@H]1CNc1cc(=O)n(C)cn1 ZINC000882959770 591486230 /nfs/dbraw/zinc/48/62/30/591486230.db2.gz PEUKXBRGQNUSOL-SECBINFHSA-N 0 3 222.292 0.286 20 0 BCADHN O=c1cccc(CO)n1CCN1CCCCC1 ZINC000883051731 591529653 /nfs/dbraw/zinc/52/96/53/591529653.db2.gz LXTASGXWCCPOJA-UHFFFAOYSA-N 0 3 236.315 0.827 20 0 BCADHN CON(C)CCNCc1cnc(C)nc1 ZINC000883172424 591561844 /nfs/dbraw/zinc/56/18/44/591561844.db2.gz HCJDJCNCFMVBEN-UHFFFAOYSA-N 0 3 210.281 0.368 20 0 BCADHN Cn1ncc(CCCNCc2ccncc2N)n1 ZINC000883130713 591545455 /nfs/dbraw/zinc/54/54/55/591545455.db2.gz PTFHHBBDMLFFBY-UHFFFAOYSA-N 0 3 246.318 0.515 20 0 BCADHN CCc1ncc(CNCCN(C)OC)cn1 ZINC000883171437 591560808 /nfs/dbraw/zinc/56/08/08/591560808.db2.gz YJHMUKDZALDTGC-UHFFFAOYSA-N 0 3 224.308 0.622 20 0 BCADHN CCc1nn(C)cc1CNCCN(C)OC ZINC000883172007 591560889 /nfs/dbraw/zinc/56/08/89/591560889.db2.gz QHWPNYZAGXAPQD-UHFFFAOYSA-N 0 3 226.324 0.565 20 0 BCADHN CON(C)CCNCc1cnn2ccccc12 ZINC000883172801 591562561 /nfs/dbraw/zinc/56/25/61/591562561.db2.gz UABHFJAFGKISHL-UHFFFAOYSA-N 0 3 234.303 0.917 20 0 BCADHN CCN(CC)C(=O)CNCC1(O)CCC1 ZINC000131191309 591566212 /nfs/dbraw/zinc/56/62/12/591566212.db2.gz NNAXIHUFTQBFLB-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1cccc(F)c1N ZINC000883196624 591568968 /nfs/dbraw/zinc/56/89/68/591568968.db2.gz SRFSRHVLZJAYSX-OIBJUYFYSA-N 0 3 228.267 0.239 20 0 BCADHN OC[C@H](CNCc1cn[nH]c1)Cc1ccoc1 ZINC000883269823 591603599 /nfs/dbraw/zinc/60/35/99/591603599.db2.gz XQEUMUVPPYQCPR-NSHDSACASA-N 0 3 235.287 0.944 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@@H]1C[C@H](F)CN1 ZINC000883420635 591655162 /nfs/dbraw/zinc/65/51/62/591655162.db2.gz PXJDTTMVAXIMCG-UWVGGRQHSA-N 0 3 231.315 0.130 20 0 BCADHN C=C/C=C/CCN1CCCNC[C@H]1C(=O)OC ZINC000883427913 591659956 /nfs/dbraw/zinc/65/99/56/591659956.db2.gz GNMQZHDDWKFMKG-ITKZLYELSA-N 0 3 238.331 0.956 20 0 BCADHN Cn1cncc1CCN1CCNC[C@H]1C(F)F ZINC000883428094 591660034 /nfs/dbraw/zinc/66/00/34/591660034.db2.gz LLEONNSDISDYIZ-JTQLQIEISA-N 0 3 244.289 0.502 20 0 BCADHN COc1cc(CN2CCNC[C@@H]2C(F)F)on1 ZINC000883428096 591660246 /nfs/dbraw/zinc/66/02/46/591660246.db2.gz LMZPIVMRKHHSME-MRVPVSSYSA-N 0 3 247.245 0.722 20 0 BCADHN C=C/C=C\CCN1CCCNC[C@@H]1C(=O)OC ZINC000883427914 591660390 /nfs/dbraw/zinc/66/03/90/591660390.db2.gz GNMQZHDDWKFMKG-QMAVJUDZSA-N 0 3 238.331 0.956 20 0 BCADHN COc1cccc([C@@H]2CNCCN2CC(N)=O)c1 ZINC000883455819 591672606 /nfs/dbraw/zinc/67/26/06/591672606.db2.gz LMHXELOABAULFW-LBPRGKRZSA-N 0 3 249.314 0.127 20 0 BCADHN CC(C)C[C@H](O)CN[C@H](C)CS(C)(=O)=O ZINC000132136248 591688681 /nfs/dbraw/zinc/68/86/81/591688681.db2.gz FHTWLKZWHVLJQS-ZJUUUORDSA-N 0 3 237.365 0.416 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H](CCO)C1CC1 ZINC000132279690 591696923 /nfs/dbraw/zinc/69/69/23/591696923.db2.gz WMJHDVLSDSPPPV-WPRPVWTQSA-N 0 3 235.349 0.170 20 0 BCADHN COC[C@H]1C[C@@H](NC(=O)N[C@@H](C)CN(C)C)C1 ZINC000883697711 591721721 /nfs/dbraw/zinc/72/17/21/591721721.db2.gz NBAFPLLDCSAFSG-GARJFASQSA-N 0 3 243.351 0.661 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCCCCCO ZINC000133002941 591755917 /nfs/dbraw/zinc/75/59/17/591755917.db2.gz LCAGUWLRJXZHIG-JTQLQIEISA-N 0 3 237.365 0.562 20 0 BCADHN C[C@H](CCO)NCC(=O)NCC(F)(F)F ZINC000133017094 591756550 /nfs/dbraw/zinc/75/65/50/591756550.db2.gz SQDGTULVEBPQGT-ZCFIWIBFSA-N 0 3 228.214 0.025 20 0 BCADHN C[C@H](CCO)NC[C@@H](O)C(F)(F)F ZINC000133117718 591766396 /nfs/dbraw/zinc/76/63/96/591766396.db2.gz KJNRQWIRXNOFHW-PHDIDXHHSA-N 0 3 201.188 0.270 20 0 BCADHN CCn1cc(CN(C)[C@H]2CCN(C3CC3)C2)nn1 ZINC000884002989 591792286 /nfs/dbraw/zinc/79/22/86/591792286.db2.gz ONCAJYYUCWXGEB-ZDUSSCGKSA-N 0 3 249.362 0.967 20 0 BCADHN CCN1CCC[C@@H]1CNC(=S)NN(C)C ZINC000884004289 591793547 /nfs/dbraw/zinc/79/35/47/591793547.db2.gz QLTSXMNZYLLRFD-SECBINFHSA-N 0 3 230.381 0.411 20 0 BCADHN NCc1cccc(NC(=O)C[C@H]2CCNC2=O)c1 ZINC000884007061 591794336 /nfs/dbraw/zinc/79/43/36/591794336.db2.gz NQJOXLXOKOXMQI-SNVBAGLBSA-N 0 3 247.298 0.610 20 0 BCADHN CO[C@]1(C(=O)N2CCCNCC2)CCSC1 ZINC000884009760 591797769 /nfs/dbraw/zinc/79/77/69/591797769.db2.gz HAGIVZYKZCZSST-LLVKDONJSA-N 0 3 244.360 0.330 20 0 BCADHN C[C@H](C(=O)N1CCNCC1(C)C)c1cncnc1 ZINC000884038126 591820298 /nfs/dbraw/zinc/82/02/98/591820298.db2.gz XPRROMOZKAYLTE-JTQLQIEISA-N 0 3 248.330 0.791 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@]12C[C@H]1COC2 ZINC000889041697 591831261 /nfs/dbraw/zinc/83/12/61/591831261.db2.gz NQURVZHOLQEGAC-QXEWZRGKSA-N 0 3 227.308 0.025 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)CCCF ZINC000889042069 591831457 /nfs/dbraw/zinc/83/14/57/591831457.db2.gz ZYYKVNYGKMIORB-VIFPVBQESA-N 0 3 219.304 0.938 20 0 BCADHN CC(C)OC(=O)CCNC(=O)[C@@H](N)CC1CC1 ZINC000884061307 591836171 /nfs/dbraw/zinc/83/61/71/591836171.db2.gz CTBLMXUMRBBOTJ-JTQLQIEISA-N 0 3 242.319 0.572 20 0 BCADHN CC(C)OC(=O)CCNC(=O)[C@H](N)CC1CC1 ZINC000884061308 591836861 /nfs/dbraw/zinc/83/68/61/591836861.db2.gz CTBLMXUMRBBOTJ-SNVBAGLBSA-N 0 3 242.319 0.572 20 0 BCADHN CC[C@@H](C)[C@H](C)NC(=O)[C@H](CN)OC ZINC000884099633 591849763 /nfs/dbraw/zinc/84/97/63/591849763.db2.gz UZWUJUNFWYPTJQ-VGMNWLOBSA-N 0 3 202.298 0.511 20 0 BCADHN CSCC[C@@H](C)NC(=O)NCCN(C)C ZINC000133717898 591850204 /nfs/dbraw/zinc/85/02/04/591850204.db2.gz IZZFMSVBQUSVMW-SECBINFHSA-N 0 3 233.381 0.989 20 0 BCADHN CSCC[C@H](C)NC(=O)NCCN(C)C ZINC000133717679 591850328 /nfs/dbraw/zinc/85/03/28/591850328.db2.gz IZZFMSVBQUSVMW-VIFPVBQESA-N 0 3 233.381 0.989 20 0 BCADHN COC(=O)CCCCNC(=O)[C@@H](N)CC1CC1 ZINC000884108083 591851194 /nfs/dbraw/zinc/85/11/94/591851194.db2.gz OHNYCLVJZIDFCN-JTQLQIEISA-N 0 3 242.319 0.573 20 0 BCADHN CO[C@@H](CN)C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000884108267 591851691 /nfs/dbraw/zinc/85/16/91/591851691.db2.gz VNUCKCDQGFULJG-HLTSFMKQSA-N 0 3 232.349 0.313 20 0 BCADHN COCCN(C)CCNC(=O)N(C)CCCF ZINC000884127587 591856810 /nfs/dbraw/zinc/85/68/10/591856810.db2.gz ICSZHPAECBKERI-UHFFFAOYSA-N 0 3 249.330 0.566 20 0 BCADHN CCCCN(CCOC)C(=O)[C@@H](N)CCOC ZINC000884132930 591858755 /nfs/dbraw/zinc/85/87/55/591858755.db2.gz FYLCQHQFCXFBIE-NSHDSACASA-N 0 3 246.351 0.625 20 0 BCADHN C[C@H](NCC[S@@](C)=O)c1cnn(C)c1 ZINC000133818502 591860148 /nfs/dbraw/zinc/86/01/48/591860148.db2.gz SXPVQDXYNCERMD-RTHLEPHNSA-N 0 3 215.322 0.449 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000884154868 591863711 /nfs/dbraw/zinc/86/37/11/591863711.db2.gz PYEITSUKCKCHJV-OBJOEFQTSA-N 0 3 248.326 0.807 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000884152722 591863955 /nfs/dbraw/zinc/86/39/55/591863955.db2.gz RRVXABFEQMVWLI-HOSYDEDBSA-N 0 3 244.335 0.018 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000884174096 591865732 /nfs/dbraw/zinc/86/57/32/591865732.db2.gz JPFSKCYDZBIFEC-VLEAKVRGSA-N 0 3 242.319 0.034 20 0 BCADHN CCSCC[C@@H](C)NC(=O)[C@@H](N)CCOC ZINC000133916971 591869062 /nfs/dbraw/zinc/86/90/62/591869062.db2.gz DEULSZYRYCFSMT-ZJUUUORDSA-N 0 3 248.392 0.998 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1CCNC[C@H]1C(F)F ZINC000884289938 591894807 /nfs/dbraw/zinc/89/48/07/591894807.db2.gz NLRPMRSKAADEFN-IUCAKERBSA-N 0 3 247.289 0.179 20 0 BCADHN CCc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)no1 ZINC000884292487 591895950 /nfs/dbraw/zinc/89/59/50/591895950.db2.gz BTMNFJSHHTYVET-YUMQZZPRSA-N 0 3 241.266 0.667 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1CCCn2nccc21 ZINC000884309255 591900539 /nfs/dbraw/zinc/90/05/39/591900539.db2.gz QLZAWPUHTWPHFH-JTQLQIEISA-N 0 3 234.303 0.747 20 0 BCADHN N[C@@H](CC1CC1)C(=O)Nc1ccc2nncn2c1 ZINC000884314761 591902474 /nfs/dbraw/zinc/90/24/74/591902474.db2.gz VBWWZQHIBKBESV-JTQLQIEISA-N 0 3 245.286 0.795 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000884320511 591903274 /nfs/dbraw/zinc/90/32/74/591903274.db2.gz RSJPIUADBAWFPG-AXFHLTTASA-N 0 3 244.335 0.280 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000884332919 591904144 /nfs/dbraw/zinc/90/41/44/591904144.db2.gz ZCKUPNBZJLVNKL-GVXVVHGQSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@@H]1c2nncn2CCN1C(=O)[C@@H](N)CC1CC1 ZINC000884332607 591905135 /nfs/dbraw/zinc/90/51/35/591905135.db2.gz RAPQMPGFWPENFC-SCZZXKLOSA-N 0 3 249.318 0.309 20 0 BCADHN COCC[C@@H](N)C(=O)N[C@H](C)COCC1CC1 ZINC000884387623 591921977 /nfs/dbraw/zinc/92/19/77/591921977.db2.gz ZEUADMPBXLAVES-MWLCHTKSSA-N 0 3 244.335 0.282 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)[C@H](N)CC1CC1 ZINC000884394302 591923972 /nfs/dbraw/zinc/92/39/72/591923972.db2.gz AKAXWTTWGXQQSD-SNVBAGLBSA-N 0 3 222.292 0.496 20 0 BCADHN COCC[C@H](N)C(=O)NC1(COC)CCCC1 ZINC000884397963 591924677 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C[C@@H]1CCC(=O)CN1C(=O)C12CCN(CC1)C2 ZINC000885071401 592045261 /nfs/dbraw/zinc/04/52/61/592045261.db2.gz CESXQFGUMFEWFR-SNVBAGLBSA-N 0 3 236.315 0.662 20 0 BCADHN C[C@H]1CCC(=O)CN1C(=O)C[C@H]1CCN(C)C1 ZINC000885072923 592045663 /nfs/dbraw/zinc/04/56/63/592045663.db2.gz IDJKSVAEOWMYPJ-WDEREUQCSA-N 0 3 238.331 0.908 20 0 BCADHN C[C@@H]1CCC(=O)CN1C(=O)C[C@@H]1CCN(C)C1 ZINC000885072921 592045765 /nfs/dbraw/zinc/04/57/65/592045765.db2.gz IDJKSVAEOWMYPJ-MNOVXSKESA-N 0 3 238.331 0.908 20 0 BCADHN CCO[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC000885346552 592070999 /nfs/dbraw/zinc/07/09/99/592070999.db2.gz QYKHPQKMRQWACV-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@](O)(CN1CCC[C@H](O)C1)C(F)F ZINC000885944226 592112911 /nfs/dbraw/zinc/11/29/11/592112911.db2.gz LYNAYCSIDZKHGG-IONNQARKSA-N 0 3 209.236 0.459 20 0 BCADHN C[C@](O)(CN1CCC[C@@H](O)C1)C(F)F ZINC000885944224 592113095 /nfs/dbraw/zinc/11/30/95/592113095.db2.gz LYNAYCSIDZKHGG-APPZFPTMSA-N 0 3 209.236 0.459 20 0 BCADHN CCNC(=O)CN(C)C[C@@H]1C[C@]12CCOC2 ZINC000885960626 592116114 /nfs/dbraw/zinc/11/61/14/592116114.db2.gz NTLCLWFBFJQGLR-JQWIXIFHSA-N 0 3 226.320 0.481 20 0 BCADHN CCN(CCOC)C[C@@](C)(O)C(F)F ZINC000885964870 592116979 /nfs/dbraw/zinc/11/69/79/592116979.db2.gz GJWUOFNOBCAHIE-SECBINFHSA-N 0 3 211.252 0.971 20 0 BCADHN O=C1CN(C[C@@H]2C[C@@]23CCOC3)CCCN1 ZINC000885981545 592120025 /nfs/dbraw/zinc/12/00/25/592120025.db2.gz IHTQSYIFQUWLJR-CMPLNLGQSA-N 0 3 224.304 0.235 20 0 BCADHN Cc1n[nH]c(CN[C@H](CO)C2CC2)c1C ZINC000885988513 592122765 /nfs/dbraw/zinc/12/27/65/592122765.db2.gz KNABXJXQQUGJAK-LLVKDONJSA-N 0 3 209.293 0.887 20 0 BCADHN COC[C@H](CCO)NCc1[nH]nc(C)c1C ZINC000885994216 592124893 /nfs/dbraw/zinc/12/48/93/592124893.db2.gz FTNYUHSNZJXJTI-JTQLQIEISA-N 0 3 227.308 0.514 20 0 BCADHN COC[C@H](CCO)NCc1n[nH]c(C)c1C ZINC000885994216 592124895 /nfs/dbraw/zinc/12/48/95/592124895.db2.gz FTNYUHSNZJXJTI-JTQLQIEISA-N 0 3 227.308 0.514 20 0 BCADHN Cc1n[nH]c(CNCC2(CO)CC2)c1C ZINC000886008413 592129781 /nfs/dbraw/zinc/12/97/81/592129781.db2.gz MBRAQNXPGYMGQK-UHFFFAOYSA-N 0 3 209.293 0.889 20 0 BCADHN CN(C[C@@H]1C[C@]12CCOC2)[C@H]1CCN(C)C1=O ZINC000886017363 592131718 /nfs/dbraw/zinc/13/17/18/592131718.db2.gz YVGQAMWYAPPZOC-GVXVVHGQSA-N 0 3 238.331 0.576 20 0 BCADHN C[C@H]1COCCN(C[C@@](C)(O)C(F)F)C1 ZINC000886087631 592145100 /nfs/dbraw/zinc/14/51/00/592145100.db2.gz XTCFITPEFKOUDE-PSASIEDQSA-N 0 3 223.263 0.971 20 0 BCADHN CCN(C)C(=O)CNC(=O)c1cccc(CN)c1 ZINC000218086732 592151432 /nfs/dbraw/zinc/15/14/32/592151432.db2.gz MDRSVOASFSHREM-UHFFFAOYSA-N 0 3 249.314 0.353 20 0 BCADHN C[C@@H]1CN(C[C@](C)(O)C(F)F)C[C@@H]1O ZINC000886100423 592154705 /nfs/dbraw/zinc/15/47/05/592154705.db2.gz NEZOCBSGXSPKSN-FJXKBIBVSA-N 0 3 209.236 0.315 20 0 BCADHN Cc1[nH]nc(CN[C@H]2C(=O)NCC[C@@H]2C)c1C ZINC000886104797 592155664 /nfs/dbraw/zinc/15/56/64/592155664.db2.gz KTYWSFNFWULRRG-WRWORJQWSA-N 0 3 236.319 0.641 20 0 BCADHN NC(=O)C1(NC[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886118579 592157474 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/nfs/dbraw/zinc/16/30/36/592163036.db2.gz BNSFFQTZGMEFKW-SNVBAGLBSA-N 0 3 236.319 0.642 20 0 BCADHN COC(=O)N(C)CCNCc1[nH]nc(C)c1C ZINC000886162718 592166927 /nfs/dbraw/zinc/16/69/27/592166927.db2.gz WZICDJKEQJTAOL-UHFFFAOYSA-N 0 3 240.307 0.814 20 0 BCADHN COC(=O)N(C)CCNCc1n[nH]c(C)c1C ZINC000886162718 592166929 /nfs/dbraw/zinc/16/69/29/592166929.db2.gz WZICDJKEQJTAOL-UHFFFAOYSA-N 0 3 240.307 0.814 20 0 BCADHN CCN(CC(N)=O)C[C@@H]1C[C@@]12CCOC2 ZINC000886166822 592167803 /nfs/dbraw/zinc/16/78/03/592167803.db2.gz SVBNMXASBITMGD-GXSJLCMTSA-N 0 3 212.293 0.220 20 0 BCADHN Cc1n[nH]c(CNC[C@H](O)[C@@H]2CCCO2)c1C ZINC000886167997 592167988 /nfs/dbraw/zinc/16/79/88/592167988.db2.gz GFFSTPLSXUELOW-RYUDHWBXSA-N 0 3 239.319 0.656 20 0 BCADHN Cc1[nH]nc(CNC[C@H](O)[C@@H]2CCCO2)c1C ZINC000886167997 592167990 /nfs/dbraw/zinc/16/79/90/592167990.db2.gz GFFSTPLSXUELOW-RYUDHWBXSA-N 0 3 239.319 0.656 20 0 BCADHN Cc1n[nH]c(CNCCN2CC[C@H](O)C2)c1C ZINC000886172947 592169827 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/nfs/dbraw/zinc/18/42/41/592184241.db2.gz YXVUBGLGSJDXGF-OWUUHHOZSA-N 0 3 242.706 0.709 20 0 BCADHN Cc1c[nH]nc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000886246935 592185668 /nfs/dbraw/zinc/18/56/68/592185668.db2.gz BMSZGSJOWQCGKL-CMPLNLGQSA-N 0 3 239.319 0.595 20 0 BCADHN CC(C)n1cncc1CN[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886253850 592187184 /nfs/dbraw/zinc/18/71/84/592187184.db2.gz MAAPDGPOQATCCU-YHPBZONMSA-N 0 3 239.319 0.438 20 0 BCADHN Cc1occc1CN[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886253819 592187493 /nfs/dbraw/zinc/18/74/93/592187493.db2.gz KRUMSVXSZNAGJS-JGPRNRPPSA-N 0 3 211.261 0.562 20 0 BCADHN Cc1n[nH]c(CN[C@H]2C[C@@H](O)[C@@H](O)C2)c1C ZINC000886252321 592187787 /nfs/dbraw/zinc/18/77/87/592187787.db2.gz ZVHLFIGXEISLHE-GUDFOSOFSA-N 0 3 225.292 0.000 20 0 BCADHN Cc1[nH]nc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)c1C ZINC000886252321 592187789 /nfs/dbraw/zinc/18/77/89/592187789.db2.gz ZVHLFIGXEISLHE-GUDFOSOFSA-N 0 3 225.292 0.000 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886255924 592188530 /nfs/dbraw/zinc/18/85/30/592188530.db2.gz PXPWDYYVIWGNMH-YHPBZONMSA-N 0 3 239.319 0.011 20 0 BCADHN Cc1ccoc1CN[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886256080 592188582 /nfs/dbraw/zinc/18/85/82/592188582.db2.gz WMJXHBVXCHDAJC-ILWJIGKKSA-N 0 3 211.261 0.562 20 0 BCADHN Nc1c(F)cccc1CN[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886254102 592188647 /nfs/dbraw/zinc/18/86/47/592188647.db2.gz XKCPRMBGNHEKDZ-GUDFOSOFSA-N 0 3 240.278 0.382 20 0 BCADHN Cc1cc(CN[C@H]2CC[C@@H](O)[C@@H](O)CC2)on1 ZINC000886262246 592188959 /nfs/dbraw/zinc/18/89/59/592188959.db2.gz NEGSZTPMPYTQHS-YHPBZONMSA-N 0 3 240.303 0.737 20 0 BCADHN C[N@@H+]1CC[C@H](CC(=O)NCc2cncc([O-])c2)C1 ZINC000886272911 592193831 /nfs/dbraw/zinc/19/38/31/592193831.db2.gz GVZGYPYGHOAJPD-SNVBAGLBSA-N 0 3 249.314 0.745 20 0 BCADHN C[N@H+]1CC[C@H](CC(=O)NCc2cncc([O-])c2)C1 ZINC000886272911 592193833 /nfs/dbraw/zinc/19/38/33/592193833.db2.gz GVZGYPYGHOAJPD-SNVBAGLBSA-N 0 3 249.314 0.745 20 0 BCADHN CC[C@H](C)CNCc1nnc2c(=O)[nH]ccn12 ZINC000886291197 592202137 /nfs/dbraw/zinc/20/21/37/592202137.db2.gz ZMWKVSRIPMBEFO-QMMMGPOBSA-N 0 3 235.291 0.553 20 0 BCADHN CCC[C@H](C)CNCc1nnc2c(=O)[nH]ccn12 ZINC000886290918 592202165 /nfs/dbraw/zinc/20/21/65/592202165.db2.gz RBKWFGXNXIVXBA-VIFPVBQESA-N 0 3 249.318 0.943 20 0 BCADHN CCOCCCNC(=O)[C@H](C)N1C[C@@H]2C[C@@H]2C1 ZINC000886329522 592210149 /nfs/dbraw/zinc/21/01/49/592210149.db2.gz FRAVWNKUPPQEEJ-SDDRHHMPSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)NC(=O)NCCN1C[C@@H]2C[C@@H]2C1 ZINC000886348231 592214284 /nfs/dbraw/zinc/21/42/84/592214284.db2.gz JAERRBMHERHLDP-AOOOYVTPSA-N 0 3 211.309 0.646 20 0 BCADHN c1nnn2c1CN(C[C@@H]1CCOC1)CCC2 ZINC000886455190 592226917 /nfs/dbraw/zinc/22/69/17/592226917.db2.gz DNIKBTMLXKFDHW-JTQLQIEISA-N 0 3 222.292 0.520 20 0 BCADHN c1cn(CCCN2CCCn3nncc3C2)cn1 ZINC000886461217 592227639 /nfs/dbraw/zinc/22/76/39/592227639.db2.gz NCQQYANOKJYMNW-UHFFFAOYSA-N 0 3 246.318 0.771 20 0 BCADHN c1nnn2c1CN(C[C@@H]1C[C@]13CCOC3)CCC2 ZINC000886468498 592229541 /nfs/dbraw/zinc/22/95/41/592229541.db2.gz DHIJIQZQUQWPIF-AAEUAGOBSA-N 0 3 248.330 0.910 20 0 BCADHN COC(=O)c1cncc([C@H](C)NCCO)c1 ZINC000886491418 592236658 /nfs/dbraw/zinc/23/66/58/592236658.db2.gz COEJJJDGLUOSKA-QMMMGPOBSA-N 0 3 224.260 0.511 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)CCSC ZINC000138121927 592238155 /nfs/dbraw/zinc/23/81/55/592238155.db2.gz IRJBKBANHGMJRH-HTQZYQBOSA-N 0 3 204.339 0.982 20 0 BCADHN CN(CCCCCCCO)[C@@H]1COC[C@H]1O ZINC000886508844 592238750 /nfs/dbraw/zinc/23/87/50/592238750.db2.gz PLVUJVTUPSUXKZ-VXGBXAGGSA-N 0 3 231.336 0.621 20 0 BCADHN CCO[C@H](CN(C)[C@@H]1COC[C@H]1O)C1CC1 ZINC000886517831 592242231 /nfs/dbraw/zinc/24/22/31/592242231.db2.gz SOROZEWADIREEJ-IJLUTSLNSA-N 0 3 229.320 0.493 20 0 BCADHN CCO[C@@H](CN(C)[C@@H]1COC[C@H]1O)C1CC1 ZINC000886517832 592242449 /nfs/dbraw/zinc/24/24/49/592242449.db2.gz SOROZEWADIREEJ-UTUOFQBUSA-N 0 3 229.320 0.493 20 0 BCADHN CN(C[C@@H]1CC2(CCC2)CO1)[C@@H]1COC[C@H]1O ZINC000886519647 592244508 /nfs/dbraw/zinc/24/45/08/592244508.db2.gz ZNQRZDVOEBSURG-QJPTWQEYSA-N 0 3 241.331 0.637 20 0 BCADHN C[C@@H](NC[C@@H](O)CN1CCCC1)c1ncco1 ZINC000886531128 592247571 /nfs/dbraw/zinc/24/75/71/592247571.db2.gz WYURISMHJUHGHL-GHMZBOCLSA-N 0 3 239.319 0.782 20 0 BCADHN CC(C)[C@H](N[C@H](C)CC(N)=O)c1cnn(C)c1 ZINC000886543745 592254696 /nfs/dbraw/zinc/25/46/96/592254696.db2.gz UVCYYKJCHLVIAA-SKDRFNHKSA-N 0 3 238.335 0.971 20 0 BCADHN CC(C)[C@@H](N[C@H](C)CC(N)=O)c1cnn(C)c1 ZINC000886543742 592255804 /nfs/dbraw/zinc/25/58/04/592255804.db2.gz UVCYYKJCHLVIAA-BXKDBHETSA-N 0 3 238.335 0.971 20 0 BCADHN CCCNC(=O)CN1C[C@@H]2CSC[C@@H]2C1 ZINC000886553510 592259486 /nfs/dbraw/zinc/25/94/86/592259486.db2.gz OSKODUWVILREBK-AOOOYVTPSA-N 0 3 228.361 0.807 20 0 BCADHN CCN(C#N)CCN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886571672 592260682 /nfs/dbraw/zinc/26/06/82/592260682.db2.gz DKOOUSVSDNILKT-TUAOUCFPSA-N 0 3 223.320 0.492 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC000886599345 592272892 /nfs/dbraw/zinc/27/28/92/592272892.db2.gz WXZLRLHKCPXOBL-IVZWLZJFSA-N 0 3 242.319 0.394 20 0 BCADHN CCNC(=O)CN1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886622064 592279053 /nfs/dbraw/zinc/27/90/53/592279053.db2.gz JIGQSEZRXCYOGN-ZYHUDNBSSA-N 0 3 226.320 0.359 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](N[C@@H]2COC[C@H]2OC)C1 ZINC000886630180 592283426 /nfs/dbraw/zinc/28/34/26/592283426.db2.gz WMCPPNYUYSXDBS-GWOFURMSSA-N 0 3 243.303 0.332 20 0 BCADHN COC(=O)[C@@H]1CC[C@H](N[C@@H]2COCC[C@H]2O)C1 ZINC000886646133 592288703 /nfs/dbraw/zinc/28/87/03/592288703.db2.gz AESIBESGDKFLEM-LMLFDSFASA-N 0 3 243.303 0.068 20 0 BCADHN C[S@](=O)CCN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886816679 592340446 /nfs/dbraw/zinc/34/04/46/592340446.db2.gz XHJLYLYOJNIZBR-ZETOZRRWSA-N 0 3 231.361 0.866 20 0 BCADHN CON(C)C(=O)CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886821737 592345543 /nfs/dbraw/zinc/34/55/43/592345543.db2.gz GRIOMMUWHVHIBK-QWRGUYRKSA-N 0 3 242.319 0.507 20 0 BCADHN COCCCN1CC[C@H](NC(=O)OC)C1 ZINC000886854332 592367522 /nfs/dbraw/zinc/36/75/22/592367522.db2.gz JXCKPCYCUVCMGS-VIFPVBQESA-N 0 3 216.281 0.453 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@@H]2CCOC2)C1 ZINC000886854222 592367552 /nfs/dbraw/zinc/36/75/52/592367552.db2.gz FXYIEZQHDKQZFP-UWVGGRQHSA-N 0 3 228.292 0.453 20 0 BCADHN CC[C@@H](C(=O)N1CCOC[C@H]1COC)N(C)C ZINC000886856915 592369394 /nfs/dbraw/zinc/36/93/94/592369394.db2.gz IMWFNYAZKNYZIJ-MNOVXSKESA-N 0 3 244.335 0.200 20 0 BCADHN COC[C@H](NCc1c[nH]nn1)[C@@H]1CCCOC1 ZINC000886915651 592395228 /nfs/dbraw/zinc/39/52/28/592395228.db2.gz HNTSFVKSLPCGLZ-KOLCDFICSA-N 0 3 240.307 0.336 20 0 BCADHN COC[C@H](NCc1cn[nH]n1)[C@@H]1CCCOC1 ZINC000886915651 592395224 /nfs/dbraw/zinc/39/52/24/592395224.db2.gz HNTSFVKSLPCGLZ-KOLCDFICSA-N 0 3 240.307 0.336 20 0 BCADHN COC[C@H](NCc1cn[nH]n1)[C@H]1CCCOC1 ZINC000886915653 592396067 /nfs/dbraw/zinc/39/60/67/592396067.db2.gz HNTSFVKSLPCGLZ-ONGXEEELSA-N 0 3 240.307 0.336 20 0 BCADHN COC[C@H](NCc1c[nH]nn1)[C@H]1CCCOC1 ZINC000886915653 592396069 /nfs/dbraw/zinc/39/60/69/592396069.db2.gz HNTSFVKSLPCGLZ-ONGXEEELSA-N 0 3 240.307 0.336 20 0 BCADHN CC[C@H](N[C@@H](COC)[C@H]1CCCOC1)C(N)=O ZINC000886907987 592396171 /nfs/dbraw/zinc/39/61/71/592396171.db2.gz MLPCYFISULWDMW-DCAQKATOSA-N 0 3 244.335 0.282 20 0 BCADHN COC(=O)/C(C)=C/CN(CCO)C1CCC1 ZINC000221152169 592397279 /nfs/dbraw/zinc/39/72/79/592397279.db2.gz AMURIQNJJNSFEW-UXBLZVDNSA-N 0 3 227.304 0.953 20 0 BCADHN CC[C@H](C)[C@H](NC[C@H](O)COC(C)C)C(N)=O ZINC000887054038 592431596 /nfs/dbraw/zinc/43/15/96/592431596.db2.gz MMJYHPMCJMIVOJ-DCAQKATOSA-N 0 3 246.351 0.262 20 0 BCADHN CC[C@H](C)[C@H](NC[C@@H](COC)OC)C(N)=O ZINC000887056006 592433017 /nfs/dbraw/zinc/43/30/17/592433017.db2.gz WEHBJFJPNTWJLS-GUBZILKMSA-N 0 3 232.324 0.137 20 0 BCADHN CC[C@H](C)[C@H](NCC[C@@H]1CCOC1=O)C(N)=O ZINC000887059387 592433461 /nfs/dbraw/zinc/43/34/61/592433461.db2.gz SMWJIPUWYGOESB-AEJSXWLSSA-N 0 3 242.319 0.429 20 0 BCADHN COCC[C@H](N)C(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000221678556 592437881 /nfs/dbraw/zinc/43/78/81/592437881.db2.gz TUQSSCZVGAOVDZ-DCAQKATOSA-N 0 3 228.336 0.855 20 0 BCADHN C[C@@H](C(N)=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000887130239 592448376 /nfs/dbraw/zinc/44/83/76/592448376.db2.gz ABOCJVCJZYEGMX-QWRGUYRKSA-N 0 3 248.330 0.466 20 0 BCADHN CC(C)NC(=O)NCCN(C)CCCF ZINC000887142320 592454364 /nfs/dbraw/zinc/45/43/64/592454364.db2.gz FMDAEYYVVQJLDZ-UHFFFAOYSA-N 0 3 219.304 0.985 20 0 BCADHN C[C@H]1CN(C(N)=O)CCN1c1ccncc1 ZINC000887336814 592482314 /nfs/dbraw/zinc/48/23/14/592482314.db2.gz HNXOYWLMDSZHKD-VIFPVBQESA-N 0 3 220.276 0.671 20 0 BCADHN CCNCC(=O)N1CCC(SC)CC1 ZINC000300827339 592521410 /nfs/dbraw/zinc/52/14/10/592521410.db2.gz JUBWFXUQRMMSGK-UHFFFAOYSA-N 0 3 216.350 0.950 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H]1C[C@H](OC)C1(C)C ZINC000300628439 592516549 /nfs/dbraw/zinc/51/65/49/592516549.db2.gz HUJXTCQULVGKGB-AEJSXWLSSA-N 0 3 244.335 0.280 20 0 BCADHN COC(C)(C)[C@@H](C)NCC(=O)N(C)C ZINC000300929908 592525771 /nfs/dbraw/zinc/52/57/71/592525771.db2.gz FMBUGZNXVHFTTO-MRVPVSSYSA-N 0 3 202.298 0.478 20 0 BCADHN Cc1nonc1Cn1cc([C@H](N)C(C)C)nn1 ZINC000302270497 592545985 /nfs/dbraw/zinc/54/59/85/592545985.db2.gz CXMMROKHSYLERF-SNVBAGLBSA-N 0 3 236.279 0.674 20 0 BCADHN CC(C)N1CCN(C(=O)[C@@H](N)CC2CC2)CC1 ZINC000302638477 592550397 /nfs/dbraw/zinc/55/03/97/592550397.db2.gz FLNVOMMOJCAIAP-LBPRGKRZSA-N 0 3 239.363 0.666 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCCCn1ccnc1 ZINC000302682738 592550990 /nfs/dbraw/zinc/55/09/90/592550990.db2.gz QMLJFUNJWIVTNM-NSHDSACASA-N 0 3 236.319 0.517 20 0 BCADHN CN1CCC[C@H](NC(=O)N[C@]23C[C@H]2COC3)C1 ZINC000887879819 592556560 /nfs/dbraw/zinc/55/65/60/592556560.db2.gz IFAJRJIBALHMTF-NHCYSSNCSA-N 0 3 239.319 0.169 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)N[C@]12C[C@H]1COC2 ZINC000887927055 592560085 /nfs/dbraw/zinc/56/00/85/592560085.db2.gz IILRSBWYLDUKHL-UMNHJUIQSA-N 0 3 239.319 0.169 20 0 BCADHN CN1C[C@@H]2CN(C(=O)c3cnccn3)C[C@]2(C)C1 ZINC000887939066 592561759 /nfs/dbraw/zinc/56/17/59/592561759.db2.gz MTJCQMZVWIWQHG-MFKMUULPSA-N 0 3 246.314 0.500 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H]1CO)N(CC)CC ZINC000889141466 592585440 /nfs/dbraw/zinc/58/54/40/592585440.db2.gz ZEKDUUKSSSMNBV-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000889207321 592589009 /nfs/dbraw/zinc/58/90/09/592589009.db2.gz ZJTNQMBTXKHLNX-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN C/C=C/[C@@H](O)C(=O)N1CCC12CCN(C)CC2 ZINC000889219838 592589594 /nfs/dbraw/zinc/58/95/94/592589594.db2.gz BFMPKUOUJYOWDI-PGLGOXFNSA-N 0 3 238.331 0.620 20 0 BCADHN CC(C(=O)Nc1nnn(C)n1)C(F)(F)F ZINC000889631034 592635948 /nfs/dbraw/zinc/63/59/48/592635948.db2.gz BYKDTMMKAUBWSY-GSVOUGTGSA-N 0 3 223.158 0.347 20 0 BCADHN CC(C(=O)Nc1nnn(C)n1)C(F)(F)F ZINC000889631035 592635995 /nfs/dbraw/zinc/63/59/95/592635995.db2.gz BYKDTMMKAUBWSY-VKHMYHEASA-N 0 3 223.158 0.347 20 0 BCADHN CC[C@H](C(=O)NCc1nnc(C)[nH]1)N(C)C ZINC000889698911 592647147 /nfs/dbraw/zinc/64/71/47/592647147.db2.gz YDQOJZFIQCYASH-MRVPVSSYSA-N 0 3 225.296 0.070 20 0 BCADHN CC(C)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889774338 592653734 /nfs/dbraw/zinc/65/37/34/592653734.db2.gz HJCRQFBTHGNSCP-NWDGAFQWSA-N 0 3 240.347 0.700 20 0 BCADHN CC1(C)CCN(CCNC(=O)CCCCO)C1 ZINC000890072757 592672727 /nfs/dbraw/zinc/67/27/27/592672727.db2.gz VOSODYGPDDLOGH-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN CC1(C)CCN(CCNC(=O)C2(O)CCC2)C1 ZINC000890072742 592676334 /nfs/dbraw/zinc/67/63/34/592676334.db2.gz VEELWJIYJIWTHX-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN CC[C@@](C)(O)C(=O)NCCN1CCC(C)(C)C1 ZINC000890083613 592678444 /nfs/dbraw/zinc/67/84/44/592678444.db2.gz KEVABUUPIFDEQE-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](N)c1cn([C@@H](C)C(=O)NC(C)(C)C)nn1 ZINC000124206463 592716692 /nfs/dbraw/zinc/71/66/92/592716692.db2.gz IUPKDBPKNJJMAT-YUMQZZPRSA-N 0 3 239.323 0.774 20 0 BCADHN CCCc1nc(Cn2cc([C@H](C)N)nn2)no1 ZINC000124241336 592717094 /nfs/dbraw/zinc/71/70/94/592717094.db2.gz VEZVJZZMPAUOGM-ZETCQYMHSA-N 0 3 236.279 0.682 20 0 BCADHN CN(C)C[C@@H]1CCCN1c1ncc(C=O)cn1 ZINC000126316105 592723739 /nfs/dbraw/zinc/72/37/39/592723739.db2.gz MDSNHTDDGYEIJX-NSHDSACASA-N 0 3 234.303 0.820 20 0 BCADHN Cc1ccc(-c2nnn[n-]2)c(NCC[NH+](C)C)n1 ZINC000095340223 608290309 /nfs/dbraw/zinc/29/03/09/608290309.db2.gz JAXDDRDUKVTWSC-UHFFFAOYSA-N 0 3 247.306 0.544 20 0 BCADHN Cc1ccc(-c2nn[n-]n2)c(NCC[NH+](C)C)n1 ZINC000095340223 608290312 /nfs/dbraw/zinc/29/03/12/608290312.db2.gz JAXDDRDUKVTWSC-UHFFFAOYSA-N 0 3 247.306 0.544 20 0 BCADHN CCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)[O-])C1 ZINC000037484351 598213595 /nfs/dbraw/zinc/21/35/95/598213595.db2.gz WLIPDXMOTRZVNS-UWVGGRQHSA-N 0 3 214.309 0.781 20 0 BCADHN CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095177123 599517611 /nfs/dbraw/zinc/51/76/11/599517611.db2.gz IBXHQJJUYBQRPZ-UHFFFAOYSA-N 0 3 203.249 0.976 20 0 BCADHN CC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095177123 599517613 /nfs/dbraw/zinc/51/76/13/599517613.db2.gz IBXHQJJUYBQRPZ-UHFFFAOYSA-N 0 3 203.249 0.976 20 0 BCADHN CC(C)(CO)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095148061 599559134 /nfs/dbraw/zinc/55/91/34/599559134.db2.gz NPUBJVKTGDINIS-UHFFFAOYSA-N 0 3 247.302 0.727 20 0 BCADHN CC(C)(CO)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095148061 599559136 /nfs/dbraw/zinc/55/91/36/599559136.db2.gz NPUBJVKTGDINIS-UHFFFAOYSA-N 0 3 247.302 0.727 20 0 BCADHN CCN(C)C[C@@H]1CC[N@H+](CC(=O)[O-])C1 ZINC000379650189 601039727 /nfs/dbraw/zinc/03/97/27/601039727.db2.gz DQVPKLPVWZHYHG-VIFPVBQESA-N 0 3 200.282 0.345 20 0 BCADHN CCN(C)C[C@@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000379650189 601039728 /nfs/dbraw/zinc/03/97/28/601039728.db2.gz DQVPKLPVWZHYHG-VIFPVBQESA-N 0 3 200.282 0.345 20 0 BCADHN CC[N@H+](C)C[C@@H]1CCN(CC(=O)[O-])C1 ZINC000379650189 601039732 /nfs/dbraw/zinc/03/97/32/601039732.db2.gz DQVPKLPVWZHYHG-VIFPVBQESA-N 0 3 200.282 0.345 20 0 BCADHN CC[N@@H+](C)C[C@@H]1CCN(CC(=O)[O-])C1 ZINC000379650189 601039736 /nfs/dbraw/zinc/03/97/36/601039736.db2.gz DQVPKLPVWZHYHG-VIFPVBQESA-N 0 3 200.282 0.345 20 0 BCADHN CC[N@H+](CCO)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095176951 606639926 /nfs/dbraw/zinc/63/99/26/606639926.db2.gz TUUQLBHKVFJDET-UHFFFAOYSA-N 0 3 247.302 0.681 20 0 BCADHN CC[N@@H+](CCO)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095176951 606639927 /nfs/dbraw/zinc/63/99/27/606639927.db2.gz TUUQLBHKVFJDET-UHFFFAOYSA-N 0 3 247.302 0.681 20 0 BCADHN CC[N@H+](CCO)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095176951 606639928 /nfs/dbraw/zinc/63/99/28/606639928.db2.gz TUUQLBHKVFJDET-UHFFFAOYSA-N 0 3 247.302 0.681 20 0 BCADHN CC[N@@H+](CCO)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095176951 606639929 /nfs/dbraw/zinc/63/99/29/606639929.db2.gz TUUQLBHKVFJDET-UHFFFAOYSA-N 0 3 247.302 0.681 20 0 BCADHN COC[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC000095245375 606660216 /nfs/dbraw/zinc/66/02/16/606660216.db2.gz OMPPBMMXTUYNNW-VIFPVBQESA-N 0 3 247.302 0.991 20 0 BCADHN COC[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC000095245375 606660217 /nfs/dbraw/zinc/66/02/17/606660217.db2.gz OMPPBMMXTUYNNW-VIFPVBQESA-N 0 3 247.302 0.991 20 0 BCADHN C[C@@H]1CCN(Cc2cnc(N)cn2)[C@H]1CO ZINC000299970890 634404217 /nfs/dbraw/zinc/40/42/17/634404217.db2.gz WCDHIVMUVXDOEW-SCZZXKLOSA-N 0 3 222.292 0.262 20 0 BCADHN CCN1C[C@H](NC(=O)c2cccnn2)C(C)(C)C1 ZINC000977390048 634537103 /nfs/dbraw/zinc/53/71/03/634537103.db2.gz LJSBJLZZCDGWMY-NSHDSACASA-N 0 3 248.330 0.937 20 0 BCADHN CC(C)CCCNC(=O)[C@@H]1CNCCN1C ZINC000258819874 635208482 /nfs/dbraw/zinc/20/84/82/635208482.db2.gz BKGHHZVBWAJECT-NSHDSACASA-N 0 3 227.352 0.442 20 0 BCADHN CC(=O)N[C@@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001009804096 634578235 /nfs/dbraw/zinc/57/82/35/634578235.db2.gz SRFASGPDLCFDLR-VXGBXAGGSA-N 0 3 226.320 0.766 20 0 BCADHN CC(=O)N[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001009804088 634578685 /nfs/dbraw/zinc/57/86/85/634578685.db2.gz SRFASGPDLCFDLR-NWDGAFQWSA-N 0 3 226.320 0.766 20 0 BCADHN CC(=O)N[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001009804093 634580699 /nfs/dbraw/zinc/58/06/99/634580699.db2.gz SRFASGPDLCFDLR-RYUDHWBXSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](NC[C@H](O)C1(O)CCC1)c1ccnn1C ZINC000931560042 634588313 /nfs/dbraw/zinc/58/83/13/634588313.db2.gz MCRZPRYTGZMSCA-KOLCDFICSA-N 0 3 239.319 0.347 20 0 BCADHN C[C@H](O)CN1CC[C@H](NC(=O)C2CCCC2)C1 ZINC001009874055 634609500 /nfs/dbraw/zinc/60/95/00/634609500.db2.gz PVKFVVSMWMRXPR-JQWIXIFHSA-N 0 3 240.347 0.748 20 0 BCADHN CCN1CC[C@H](NC(=O)C2CCOCC2)C1 ZINC001009876790 634610810 /nfs/dbraw/zinc/61/08/10/634610810.db2.gz PRSAPZYJSZRQGM-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN OC[C@H]1C=CCN1C[C@@H]1CCC2(COC2)O1 ZINC000931704722 635266200 /nfs/dbraw/zinc/26/62/00/635266200.db2.gz QNKPOKJBGGLUTD-MNOVXSKESA-N 0 3 225.288 0.167 20 0 BCADHN CCCCN(C)CC(=O)N1CCO[C@H](C)C1 ZINC000054114990 635395938 /nfs/dbraw/zinc/39/59/38/635395938.db2.gz JNKQAZLRFJQARF-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1cnon1 ZINC001028215422 635492708 /nfs/dbraw/zinc/49/27/08/635492708.db2.gz QCIBJMSCQBEWTE-MRVPVSSYSA-N 0 3 224.264 0.284 20 0 BCADHN CC(C)(C)S(=O)(=O)CCNC[C@H](O)C1CC1 ZINC000232617628 635513808 /nfs/dbraw/zinc/51/38/08/635513808.db2.gz HTBXLRIUIWELCB-JTQLQIEISA-N 0 3 249.376 0.560 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@H](N)CC(C)C ZINC000236876221 635536482 /nfs/dbraw/zinc/53/64/82/635536482.db2.gz IYQIAWKPMSGBDX-SNVBAGLBSA-N 0 3 244.335 0.819 20 0 BCADHN CC[S@@](=O)CCNCc1cnc[nH]1 ZINC000124140599 635541391 /nfs/dbraw/zinc/54/13/91/635541391.db2.gz XHDFQMBOGOKLNZ-ZDUSSCGKSA-N 0 3 201.295 0.268 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H]1CC[C@@H](SC)C1 ZINC000234667891 635558453 /nfs/dbraw/zinc/55/84/53/635558453.db2.gz RZBVIJFFAQDFTF-BBBLOLIVSA-N 0 3 246.376 0.751 20 0 BCADHN C1C[C@H]2SCCS[C@@H]2[C@@H]1N[C@@H]1CNOC1 ZINC000925867657 635573957 /nfs/dbraw/zinc/57/39/57/635573957.db2.gz OUHZVDDXQKFALH-ZYUZMQFOSA-N 0 3 246.401 0.859 20 0 BCADHN Cc1cc(NCc2cccnn2)nc(N)n1 ZINC000235858729 635586858 /nfs/dbraw/zinc/58/68/58/635586858.db2.gz DRWCXNSPYAUZDG-UHFFFAOYSA-N 0 3 216.248 0.769 20 0 BCADHN Cc1cc(N2CC[C@](C)(C(N)=O)C2)nc(N)n1 ZINC000235855132 635587812 /nfs/dbraw/zinc/58/78/12/635587812.db2.gz XRDGHRSKZGAYQQ-NSHDSACASA-N 0 3 235.291 0.069 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCC(=O)OCC1CC1 ZINC000236708334 635605036 /nfs/dbraw/zinc/60/50/36/635605036.db2.gz NCRGOBLTPJZYRQ-SNVBAGLBSA-N 0 3 242.319 0.429 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@](C)(C(=O)OC)C1CC1 ZINC000129365857 631216252 /nfs/dbraw/zinc/21/62/52/631216252.db2.gz MSDXHFPSIVUDAN-LDYMZIIASA-N 0 3 228.292 0.182 20 0 BCADHN COC[C@@H]1COCCN1C[C@@H]1CCO[C@H]1C ZINC000933327159 631258476 /nfs/dbraw/zinc/25/84/76/631258476.db2.gz KVISYNYVHDCIJK-SDDRHHMPSA-N 0 3 229.320 0.759 20 0 BCADHN CCN1C[C@@H](NC[C@@H](O)c2ccccc2)CC1=O ZINC000313562724 631350402 /nfs/dbraw/zinc/35/04/02/631350402.db2.gz ZDCZKOJYVYOIEO-QWHCGFSZSA-N 0 3 248.326 0.930 20 0 BCADHN CO[C@@H]1CN(C[C@@H](O)c2ccccc2)C[C@H]1O ZINC000313563651 631351799 /nfs/dbraw/zinc/35/17/99/631351799.db2.gz QQBBGGULIZGHGT-JHJVBQTASA-N 0 3 237.299 0.412 20 0 BCADHN CCN(C/C=C(\C)C(=O)OC)CCCO ZINC000308748606 631362030 /nfs/dbraw/zinc/36/20/30/631362030.db2.gz INWRXVNUIGHMBM-UXBLZVDNSA-N 0 3 215.293 0.810 20 0 BCADHN CCOC(=O)/C=C\CN(CC)CCCO ZINC000308755699 631364093 /nfs/dbraw/zinc/36/40/93/631364093.db2.gz WCMJIPDILKWJTQ-ALCCZGGFSA-N 0 3 215.293 0.810 20 0 BCADHN C[C@@H](O)COC(=O)C1CCCN(C2CC2)C1=O ZINC000924052300 631417088 /nfs/dbraw/zinc/41/70/88/631417088.db2.gz CWRXLIJRMJWNKB-PSASIEDQSA-N 0 3 241.287 0.311 20 0 BCADHN CCOC(=O)CCNC(=O)[C@H](N)CC1CC1 ZINC000083356068 631423962 /nfs/dbraw/zinc/42/39/62/631423962.db2.gz SBYCRIMLEJOLLZ-SECBINFHSA-N 0 3 228.292 0.183 20 0 BCADHN CC[C@@H](CO)NCc1ccc(OC)nn1 ZINC000308788792 631432351 /nfs/dbraw/zinc/43/23/51/631432351.db2.gz HNDIVUZTWMIZFD-QMMMGPOBSA-N 0 3 211.265 0.346 20 0 BCADHN CCOC(=O)/C=C\CN(CCO)C1CC1 ZINC000308631360 631444138 /nfs/dbraw/zinc/44/41/38/631444138.db2.gz BHLYKXNTCIQFAV-ARJAWSKDSA-N 0 3 213.277 0.562 20 0 BCADHN CC1(C)CCN(CCNCCS(C)(=O)=O)C1 ZINC000087259204 631478663 /nfs/dbraw/zinc/47/86/63/631478663.db2.gz FMPYJJWIUQJLIW-UHFFFAOYSA-N 0 3 248.392 0.353 20 0 BCADHN CC(C)(O)CCN1CCO[C@@H]2COCC[C@@H]21 ZINC000933963361 631573383 /nfs/dbraw/zinc/57/33/83/631573383.db2.gz BQXIGIVLMWTVMZ-WDEREUQCSA-N 0 3 229.320 0.637 20 0 BCADHN COCC1(N[C@@H]2CCC2(OC)OC)CC1 ZINC000925924716 635637442 /nfs/dbraw/zinc/63/74/42/635637442.db2.gz ZOUIPRBWLGZQDQ-SECBINFHSA-N 0 3 215.293 0.907 20 0 BCADHN CCOC(=O)[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C ZINC000934012665 631590901 /nfs/dbraw/zinc/59/09/01/631590901.db2.gz VXVJRYSYKIEUJR-NXEZZACHSA-N 0 3 242.319 0.206 20 0 BCADHN CC(C)CC[C@H](O)CN1CC[C@@H]1CO ZINC000934014065 631595055 /nfs/dbraw/zinc/59/50/55/631595055.db2.gz KEJLOCQRSASJCD-MNOVXSKESA-N 0 3 201.310 0.850 20 0 BCADHN OC[C@@H]1CCN1C[C@@H](O)CC1(O)CCCC1 ZINC000934014425 631598129 /nfs/dbraw/zinc/59/81/29/631598129.db2.gz IYXSIGUVIUGZBV-QWRGUYRKSA-N 0 3 229.320 0.109 20 0 BCADHN OC[C@H]1CCN1C[C@H](O)Cc1ccccc1 ZINC000934015457 631606584 /nfs/dbraw/zinc/60/65/84/631606584.db2.gz YPUKXTYXCFVRCF-CHWSQXEVSA-N 0 3 221.300 0.657 20 0 BCADHN CC(C)COC[C@@H](O)CN1CC[C@@H]1CO ZINC000934027002 631607417 /nfs/dbraw/zinc/60/74/17/631607417.db2.gz IOVIJLXMMMCRQZ-MNOVXSKESA-N 0 3 217.309 0.087 20 0 BCADHN OC[C@@H]1CCN1C[C@@H](O)c1ccccc1 ZINC000934015272 631608849 /nfs/dbraw/zinc/60/88/49/631608849.db2.gz VCNXKVMVRFDIAZ-NWDGAFQWSA-N 0 3 207.273 0.787 20 0 BCADHN OC[C@@H]1CCN1C[C@H](O)CC1(O)CCCCC1 ZINC000934015555 631610039 /nfs/dbraw/zinc/61/00/39/631610039.db2.gz ORRYFWVUSNSMFM-NWDGAFQWSA-N 0 3 243.347 0.499 20 0 BCADHN OC[C@@H]1CCN1C[C@@H](O)CC1(O)CCCCC1 ZINC000934015556 631610762 /nfs/dbraw/zinc/61/07/62/631610762.db2.gz ORRYFWVUSNSMFM-RYUDHWBXSA-N 0 3 243.347 0.499 20 0 BCADHN OC[C@H]1CCN1C[C@@H](O)CC1(O)CCCCC1 ZINC000934015554 631611015 /nfs/dbraw/zinc/61/10/15/631611015.db2.gz ORRYFWVUSNSMFM-NEPJUHHUSA-N 0 3 243.347 0.499 20 0 BCADHN O=C(CCN1CC[C@H]1CO)NC1CCCC1 ZINC000934028524 631628392 /nfs/dbraw/zinc/62/83/92/631628392.db2.gz YPHCBRFFPKRUNP-NSHDSACASA-N 0 3 226.320 0.502 20 0 BCADHN COC(=O)C[C@@H](NCC(N)=O)C(C)(C)C ZINC000934029855 631628933 /nfs/dbraw/zinc/62/89/33/631628933.db2.gz ODXCRUAGONMAIF-SSDOTTSWSA-N 0 3 216.281 0.039 20 0 BCADHN OC[C@H]1CCN1C[C@H](O)COCc1ccco1 ZINC000934032031 631632006 /nfs/dbraw/zinc/63/20/06/631632006.db2.gz SWQBKWJAPBVPDD-MNOVXSKESA-N 0 3 241.287 0.224 20 0 BCADHN CO[C@@H]1CCOC[C@H]1NCc1ccnc(N)c1 ZINC000934039030 631637232 /nfs/dbraw/zinc/63/72/32/631637232.db2.gz LONBJPXEYRFKCP-GHMZBOCLSA-N 0 3 237.303 0.557 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@@H]1CC1(C)C ZINC000234665465 631658864 /nfs/dbraw/zinc/65/88/64/631658864.db2.gz IAELQMKBBPXCED-IUCAKERBSA-N 0 3 214.309 0.513 20 0 BCADHN COCC[C@H](C)NC(=O)[C@H](N)CC1CC1 ZINC000308803599 631667437 /nfs/dbraw/zinc/66/74/37/631667437.db2.gz FLZNCENRNTUCLV-WCBMZHEXSA-N 0 3 214.309 0.655 20 0 BCADHN CCNC(=O)CCN[C@H](C)c1cn[nH]c1 ZINC000308811414 631666361 /nfs/dbraw/zinc/66/63/61/631666361.db2.gz QKTQIXBKWYNDJP-MRVPVSSYSA-N 0 3 210.281 0.587 20 0 BCADHN CN(CC1([NH+](C)C)CCC1)c1cc(=O)[n-]cn1 ZINC000097937060 631676306 /nfs/dbraw/zinc/67/63/06/631676306.db2.gz YFVIBROQLKFUFP-UHFFFAOYSA-N 0 3 236.319 0.690 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H](N)CC2CC2)CCO1 ZINC000308846204 631691174 /nfs/dbraw/zinc/69/11/74/631691174.db2.gz LIXFLIFMMOFHTH-WPRPVWTQSA-N 0 3 212.293 0.361 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@@H](N)CC1CC1 ZINC000308853740 631695630 /nfs/dbraw/zinc/69/56/30/631695630.db2.gz NLPRDMPSYHXTRH-UWVGGRQHSA-N 0 3 214.309 0.391 20 0 BCADHN COCCOCCNc1ccncc1CO ZINC000891999394 631697325 /nfs/dbraw/zinc/69/73/25/631697325.db2.gz CFMZCKSRJLIQHL-UHFFFAOYSA-N 0 3 226.276 0.071 20 0 BCADHN C[C@]1(NC(=O)[C@@H](N)CC2CC2)CCOC1 ZINC000308868482 631699045 /nfs/dbraw/zinc/69/90/45/631699045.db2.gz RLWCFFZOIQTFGE-ONGXEEELSA-N 0 3 212.293 0.409 20 0 BCADHN CN1CCC[C@H](NCc2cnc[nH]2)C1=O ZINC000308930690 631745412 /nfs/dbraw/zinc/74/54/12/631745412.db2.gz JKVAJTMWQWGMQS-VIFPVBQESA-N 0 3 208.265 0.120 20 0 BCADHN COC(C)(C)CNC(=O)[C@@H](N)CC1CC1 ZINC000309002938 631803293 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/nfs/dbraw/zinc/79/99/84/633799984.db2.gz HHOOJZGVXAVUMH-UHFFFAOYSA-N 0 3 230.271 0.706 20 0 BCADHN CCN1CCN(C[C@@H]2COCCO2)[C@@H](C)C1 ZINC000930453441 633824502 /nfs/dbraw/zinc/82/45/02/633824502.db2.gz UZCDHEZKBSMYJY-NWDGAFQWSA-N 0 3 228.336 0.428 20 0 BCADHN COC[C@H](O)CN[C@H](C)c1cc(C)nn1C ZINC000309848481 633840980 /nfs/dbraw/zinc/84/09/80/633840980.db2.gz HWFIAYINSJIEQO-NXEZZACHSA-N 0 3 227.308 0.386 20 0 BCADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](N)CC(F)F ZINC000309211279 633860387 /nfs/dbraw/zinc/86/03/87/633860387.db2.gz SGUOGAKNQFAEEQ-RITPCOANSA-N 0 3 238.234 0.037 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCOC3CC3)C[C@@H]21 ZINC000930545387 633884289 /nfs/dbraw/zinc/88/42/89/633884289.db2.gz WJBACTLLJRTXOZ-URLYPYJESA-N 0 3 225.288 0.516 20 0 BCADHN COc1ncccc1CN[C@@H](CO)C1CC1 ZINC000309888927 633906599 /nfs/dbraw/zinc/90/65/99/633906599.db2.gz ZLNQVSQIBOTEAY-NSHDSACASA-N 0 3 222.288 0.951 20 0 BCADHN CCN(CC[S@](=O)C(F)(F)F)[C@@H](C)CO ZINC000930583113 633910711 /nfs/dbraw/zinc/91/07/11/633910711.db2.gz NHDAFIWXOAQJHR-ZIDLFYJRSA-N 0 3 247.282 0.958 20 0 BCADHN C[C@@H]1[C@@H](C)CN1CC1CN(S(C)(=O)=O)C1 ZINC000930581818 633911520 /nfs/dbraw/zinc/91/15/20/633911520.db2.gz IXBACEYKMQXDLG-DTWKUNHWSA-N 0 3 232.349 0.218 20 0 BCADHN O[C@]1(C(F)F)CCN(C[C@@H]2COCCO2)C1 ZINC000930622415 633945708 /nfs/dbraw/zinc/94/57/08/633945708.db2.gz FJZQRJNVJMUOBL-PSASIEDQSA-N 0 3 237.246 0.104 20 0 BCADHN c1nc(CNCCNc2cnccn2)c[nH]1 ZINC000309547090 633950244 /nfs/dbraw/zinc/95/02/44/633950244.db2.gz IQQHLGJXXUNUSP-UHFFFAOYSA-N 0 3 218.264 0.401 20 0 BCADHN c1ncc(CNCCNc2cnccn2)[nH]1 ZINC000309547090 633950247 /nfs/dbraw/zinc/95/02/47/633950247.db2.gz IQQHLGJXXUNUSP-UHFFFAOYSA-N 0 3 218.264 0.401 20 0 BCADHN C[C@@H](O)C1(N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000895442367 636145313 /nfs/dbraw/zinc/14/53/13/636145313.db2.gz NSJXGJCCXWZUGB-BDAKNGLRSA-N 0 3 233.333 0.067 20 0 BCADHN CN1CC[C@](O)(CNc2cncc(Cl)n2)C1 ZINC000309977127 634012571 /nfs/dbraw/zinc/01/25/71/634012571.db2.gz 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FERMFGDJEVOKCI-GRYCIOLGSA-N 0 3 238.331 0.923 20 0 BCADHN C[C@H](O)CN1CCN(C/C=C/Cl)CC1 ZINC000189349797 634179666 /nfs/dbraw/zinc/17/96/66/634179666.db2.gz PXINZJWEJLPLDN-PBKGFPTLSA-N 0 3 218.728 0.737 20 0 BCADHN CC(=O)N1CC[C@@H](CNCc2nccn2C)C1 ZINC001026626310 634261505 /nfs/dbraw/zinc/26/15/05/634261505.db2.gz PUIYVHINFFONCY-NSHDSACASA-N 0 3 236.319 0.378 20 0 BCADHN CC(=O)N1CC[C@@H](CN[C@@H](C)c2cnccn2)C1 ZINC001026630391 634267195 /nfs/dbraw/zinc/26/71/95/634267195.db2.gz LTNDYJZHKDRCSA-JQWIXIFHSA-N 0 3 248.330 0.996 20 0 BCADHN O=C(NC[C@@H]1CCCN1CCO)c1cccnc1 ZINC001027726698 635128312 /nfs/dbraw/zinc/12/83/12/635128312.db2.gz ZFDKWNMATWUGFU-LBPRGKRZSA-N 0 3 249.314 0.268 20 0 BCADHN O=c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)nc[n-]1 ZINC000162844820 635141398 /nfs/dbraw/zinc/14/13/98/635141398.db2.gz YYNIGHRIDLCLML-SNVBAGLBSA-N 0 3 234.303 0.444 20 0 BCADHN CCCCCNC(=O)[C@H]1CNCCN1C ZINC000258772919 635195295 /nfs/dbraw/zinc/19/52/95/635195295.db2.gz PVKOXCUQJGKCNN-SNVBAGLBSA-N 0 3 213.325 0.196 20 0 BCADHN COc1cccc(CN[C@@H](C)[C@H](C)O)n1 ZINC000336663125 635198909 /nfs/dbraw/zinc/19/89/09/635198909.db2.gz CLCZJCILUBAXGA-IUCAKERBSA-N 0 3 210.277 0.949 20 0 BCADHN CCOc1ccc(CN(C)C[C@H](O)CO)cc1 ZINC000258832778 635210019 /nfs/dbraw/zinc/21/00/19/635210019.db2.gz DHMKODRGBNAASN-LBPRGKRZSA-N 0 3 239.315 0.870 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2cc(=O)cc[nH]2)C1 ZINC000931693018 635227637 /nfs/dbraw/zinc/22/76/37/635227637.db2.gz TVGUYZZTCKPVBR-SNVBAGLBSA-N 0 3 249.314 0.541 20 0 BCADHN CN1CCNC[C@H]1C(=O)NCC1CCCCC1 ZINC000258938439 635227777 /nfs/dbraw/zinc/22/77/77/635227777.db2.gz MAOQPMCIUPWVCU-LBPRGKRZSA-N 0 3 239.363 0.587 20 0 BCADHN COCC(=O)N1CCCN(C[C@H](C)OC)CC1 ZINC000980576764 635238085 /nfs/dbraw/zinc/23/80/85/635238085.db2.gz CXBVMPUAGPXYDP-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN CCCCN(C)C(=O)[C@H]1CNCCN1C ZINC000220738268 635250934 /nfs/dbraw/zinc/25/09/34/635250934.db2.gz TUGVIYFVLAQRHH-SNVBAGLBSA-N 0 3 213.325 0.149 20 0 BCADHN C/C=C(\C)C(=O)N1CCCN(C[C@@H](C)O)CC1 ZINC000980936349 635302011 /nfs/dbraw/zinc/30/20/11/635302011.db2.gz DMYXLWOSEJJHIR-KBVBDRTLSA-N 0 3 240.347 0.868 20 0 BCADHN CC(C)(C)NC(=O)CN[C@H]1C[C@@H](O)C12CCC2 ZINC000661836541 635319948 /nfs/dbraw/zinc/31/99/48/635319948.db2.gz FPCWDFOAEUNLBA-VHSXEESVSA-N 0 3 240.347 0.794 20 0 BCADHN CC(C)(C)NC(=O)CN[C@@H]1C[C@H](O)C12CCC2 ZINC000661836543 635322131 /nfs/dbraw/zinc/32/21/31/635322131.db2.gz FPCWDFOAEUNLBA-ZJUUUORDSA-N 0 3 240.347 0.794 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cccnc1OC ZINC000054073909 635344755 /nfs/dbraw/zinc/34/47/55/635344755.db2.gz WAVYSDCGVOXYQO-ZETCQYMHSA-N 0 3 209.249 0.637 20 0 BCADHN C[C@@H]([NH2+]C[C@H](C)O)c1ccc(-c2nnn[n-]2)cc1 ZINC000095246535 635438944 /nfs/dbraw/zinc/43/89/44/635438944.db2.gz KGFNKQCIGDBEJB-DTWKUNHWSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@@H]([NH2+]C[C@H](C)O)c1ccc(-c2nn[n-]n2)cc1 ZINC000095246535 635438954 /nfs/dbraw/zinc/43/89/54/635438954.db2.gz KGFNKQCIGDBEJB-DTWKUNHWSA-N 0 3 247.302 0.898 20 0 BCADHN COC[C@H](N[C@@H]1CNOC1)C1CCCC1 ZINC000925862471 635562293 /nfs/dbraw/zinc/56/22/93/635562293.db2.gz RJIZQNRBIQMQDY-MNOVXSKESA-N 0 3 214.309 0.685 20 0 BCADHN C[C@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1cnccn1 ZINC000894941818 636009965 /nfs/dbraw/zinc/00/99/65/636009965.db2.gz UBVSAGLSMYDGRA-LPEHRKFASA-N 0 3 234.303 0.781 20 0 BCADHN CC1(C)C[C@@H](O)CN(C(=O)[C@H](N)C2CCC2)C1 ZINC000870983581 636398069 /nfs/dbraw/zinc/39/80/69/636398069.db2.gz XJPZOIMIXZUTSU-GHMZBOCLSA-N 0 3 240.347 0.733 20 0 BCADHN CCC(=O)N1CC[C@H](NCCF)[C@H]1C ZINC000985841316 636429036 /nfs/dbraw/zinc/42/90/36/636429036.db2.gz ZDOXGLFPSNMUAH-BDAKNGLRSA-N 0 3 202.273 0.945 20 0 BCADHN CC(=O)N1CC[C@H](NCc2cncn2C)[C@@H]1C ZINC000985834309 636426592 /nfs/dbraw/zinc/42/65/92/636426592.db2.gz UNQOMJVAXPPCHR-CABZTGNLSA-N 0 3 236.319 0.519 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2cnn(C)c2)[C@H]1C ZINC000985834374 636426614 /nfs/dbraw/zinc/42/66/14/636426614.db2.gz VGFDZDFFJSBZPA-BXKDBHETSA-N 0 3 236.319 0.519 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2ccnn2C)[C@@H]1C ZINC000985833650 636426898 /nfs/dbraw/zinc/42/68/98/636426898.db2.gz RXVTUSBLJRBWTC-JOYOIKCWSA-N 0 3 236.319 0.519 20 0 BCADHN CCC(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC000985841318 636429374 /nfs/dbraw/zinc/42/93/74/636429374.db2.gz ZDOXGLFPSNMUAH-IUCAKERBSA-N 0 3 202.273 0.945 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2cnc(C)nc2)[C@@H]1C ZINC000985852766 636433791 /nfs/dbraw/zinc/43/37/91/636433791.db2.gz CNVIKFDZUUBYAU-TVQRCGJNSA-N 0 3 248.330 0.884 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2n[nH]c(C)n2)[C@H]1C ZINC000985861600 636434945 /nfs/dbraw/zinc/43/49/45/636434945.db2.gz RIPXBHHTKZOFTI-GMSGAONNSA-N 0 3 237.307 0.212 20 0 BCADHN CC(C)CC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC000985907899 636449562 /nfs/dbraw/zinc/44/95/62/636449562.db2.gz LSTPKFNPCQSSNW-NXEZZACHSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H](C(=O)N[C@H]1COC[C@@H]1C)N(C)C ZINC000928887723 636451031 /nfs/dbraw/zinc/45/10/31/636451031.db2.gz YEPCLHXQJHDDRY-LPEHRKFASA-N 0 3 214.309 0.478 20 0 BCADHN CSCC(=O)N1CC[C@@H](NCCF)[C@@H]1C ZINC000985945441 636456134 /nfs/dbraw/zinc/45/61/34/636456134.db2.gz VMLLYHCGDTXYIS-DTWKUNHWSA-N 0 3 234.340 0.898 20 0 BCADHN C[C@H]1[C@H](NCCF)CCN1C(=O)c1ncc[nH]1 ZINC000986257617 636549748 /nfs/dbraw/zinc/54/97/48/636549748.db2.gz NAXDQWFENAVYOP-DTWKUNHWSA-N 0 3 240.282 0.572 20 0 BCADHN CC(=O)N1C[C@H](NCc2cnn(C)c2)C[C@H]1C ZINC000987632164 636656689 /nfs/dbraw/zinc/65/66/89/636656689.db2.gz MYSMPTKMKUICHH-BXKDBHETSA-N 0 3 236.319 0.519 20 0 BCADHN CCC(=O)N1C[C@@H](NCCF)C[C@@H]1C ZINC000987667504 636657509 /nfs/dbraw/zinc/65/75/09/636657509.db2.gz KWXIFPAHQVTTRZ-IUCAKERBSA-N 0 3 202.273 0.945 20 0 BCADHN CC(C)CC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC000987836314 636669800 /nfs/dbraw/zinc/66/98/00/636669800.db2.gz SFOSDKAOVGTBLH-VHSXEESVSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)CC(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC000987836312 636670454 /nfs/dbraw/zinc/67/04/54/636670454.db2.gz SFOSDKAOVGTBLH-UWVGGRQHSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)=CC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC000987863948 636670806 /nfs/dbraw/zinc/67/08/06/636670806.db2.gz FVZRZWUWYSRKAH-ZJUUUORDSA-N 0 3 239.319 0.017 20 0 BCADHN C[C@@H]1C[C@@H](NCCF)CN1C(=O)c1cn[nH]c1 ZINC000988188248 636682489 /nfs/dbraw/zinc/68/24/89/636682489.db2.gz IKHZPYOXEBKTQF-PSASIEDQSA-N 0 3 240.282 0.572 20 0 BCADHN CN1CCC[C@H]1CN1C(=O)N[C@H](CCF)C1=O ZINC000925294193 636748303 /nfs/dbraw/zinc/74/83/03/636748303.db2.gz SVGHNDXXEMZTEW-DTWKUNHWSA-N 0 3 243.282 0.361 20 0 BCADHN CN1CCC[C@@H](N2C(=O)N[C@H](C3CC3)C2=O)C1 ZINC000925294663 636749526 /nfs/dbraw/zinc/74/95/26/636749526.db2.gz UUJYYFSKRJHNEJ-NXEZZACHSA-N 0 3 237.303 0.411 20 0 BCADHN CC[C@H](C(=O)NCC(=O)OC(C)C)N(C)C ZINC000163470129 636783080 /nfs/dbraw/zinc/78/30/80/636783080.db2.gz MZSLQZKVKXAMRO-SECBINFHSA-N 0 3 230.308 0.394 20 0 BCADHN CN1CCC[C@H](N2C(=O)N[C@H](CCF)C2=O)C1 ZINC000925298164 636799025 /nfs/dbraw/zinc/79/90/25/636799025.db2.gz NPEJFUZXQVGHLR-DTWKUNHWSA-N 0 3 243.282 0.361 20 0 BCADHN 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640031688 /nfs/dbraw/zinc/03/16/88/640031688.db2.gz CDJMGZQJDLKOEU-WDEREUQCSA-N 0 3 241.331 0.563 20 0 BCADHN COC(=O)CC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000912380877 640036326 /nfs/dbraw/zinc/03/63/26/640036326.db2.gz VJZFYYBUGLNZFU-GFCCVEGCSA-N 0 3 240.303 0.150 20 0 BCADHN Cc1nn[nH]c1C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000912380019 640036665 /nfs/dbraw/zinc/03/66/65/640036665.db2.gz YTYBKFZJUQZMNP-GFCCVEGCSA-N 0 3 249.318 0.327 20 0 BCADHN C[C@H](O)[C@@H](O)CN1CC2(CCCC2)OC[C@H]1C ZINC000931056610 640041630 /nfs/dbraw/zinc/04/16/30/640041630.db2.gz OJTQJIMUEITPTC-WOPDTQHZSA-N 0 3 243.347 0.762 20 0 BCADHN Cc1nc(C)c(CN2C[C@H](O)C[C@]2(C)CO)[nH]1 ZINC000931053689 640042393 /nfs/dbraw/zinc/04/23/93/640042393.db2.gz BSASECVIWPDUNT-ZYHUDNBSSA-N 0 3 239.319 0.344 20 0 BCADHN C[C@@]1(NC(=O)CC2COC2)CN2CCC1CC2 ZINC000912373684 640044609 /nfs/dbraw/zinc/04/46/09/640044609.db2.gz GOAXSPSBQCYVKJ-CYBMUJFWSA-N 0 3 238.331 0.623 20 0 BCADHN C[C@]1(NC(=O)Cn2ccnc2)CN2CCC1CC2 ZINC000912375458 640045515 /nfs/dbraw/zinc/04/55/15/640045515.db2.gz WLQPDORSNNFEEH-ZDUSSCGKSA-N 0 3 248.330 0.484 20 0 BCADHN OC[C@@H](O)CN1CCC(c2ccon2)CC1 ZINC000931060588 640047611 /nfs/dbraw/zinc/04/76/11/640047611.db2.gz XGHAXXSMIQISNR-JTQLQIEISA-N 0 3 226.276 0.207 20 0 BCADHN C[C@@H](O)[C@@H](O)CN(C)CC1=CCSC1 ZINC000931070663 640058224 /nfs/dbraw/zinc/05/82/24/640058224.db2.gz GXCVDSYTOQLHAZ-SCZZXKLOSA-N 0 3 217.334 0.333 20 0 BCADHN C[C@H](O)[C@@H](O)CN(C)CC1=CCSC1 ZINC000931070666 640059011 /nfs/dbraw/zinc/05/90/11/640059011.db2.gz GXCVDSYTOQLHAZ-WPRPVWTQSA-N 0 3 217.334 0.333 20 0 BCADHN CCC[C@H](O)CN1CCc2c(=O)[nH]n(C)c2C1 ZINC000931193616 640093262 /nfs/dbraw/zinc/09/32/62/640093262.db2.gz GTNMQAORMMBRJG-VIFPVBQESA-N 0 3 239.319 0.645 20 0 BCADHN CC1(C)CC(=O)NCCN1C[C@@H]1CCCO1 ZINC000931207976 640101305 /nfs/dbraw/zinc/10/13/05/640101305.db2.gz XKLPEVCLZHOIMA-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CC1(C)CC(=O)NCCN1CCn1cccn1 ZINC000931203402 640102874 /nfs/dbraw/zinc/10/28/74/640102874.db2.gz PNDUNGVQZIGNCY-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN CN(CCO)CCN(C)C(=O)/C=C/C(C)(C)C ZINC000912606205 640136088 /nfs/dbraw/zinc/13/60/88/640136088.db2.gz BWYYBWCFRWPAMG-VOTSOKGWSA-N 0 3 242.363 0.971 20 0 BCADHN CN(CCO)CCN(C)C(=O)C1(C2CC2)CC1 ZINC000912611898 640136633 /nfs/dbraw/zinc/13/66/33/640136633.db2.gz GGMJCYWZVKKJKY-UHFFFAOYSA-N 0 3 240.347 0.559 20 0 BCADHN CC[C@H](SC)C(=O)N(C)CCN(C)CCO ZINC000912607702 640138606 /nfs/dbraw/zinc/13/86/06/640138606.db2.gz JXXOOUTWNBSABQ-JTQLQIEISA-N 0 3 248.392 0.511 20 0 BCADHN COC[C@](C)(CO)NCc1ccc(N)nc1 ZINC000931384047 640172002 /nfs/dbraw/zinc/17/20/02/640172002.db2.gz SMZPOOGMYHOTSM-NSHDSACASA-N 0 3 225.292 0.151 20 0 BCADHN C[C@H](O)CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001030025861 640188832 /nfs/dbraw/zinc/18/88/32/640188832.db2.gz RWDQHNBNFFBXBM-WRWGMCAJSA-N 0 3 240.347 0.604 20 0 BCADHN C[C@@H](O)CN1CCC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001030026088 640192092 /nfs/dbraw/zinc/19/20/92/640192092.db2.gz 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XNSQDDOGAIKUKN-NGZCFLSTSA-N 0 3 225.292 0.049 20 0 BCADHN Cc1cn(C)nc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000931606261 640284322 /nfs/dbraw/zinc/28/43/22/640284322.db2.gz AQCXDGJVPVPBIA-PHIMTYICSA-N 0 3 221.304 0.807 20 0 BCADHN COC1(OC)CCN(CCOC(C)C)C[C@@H]1O ZINC000931635024 640299631 /nfs/dbraw/zinc/29/96/31/640299631.db2.gz MLNQQHBCKXLQLE-NSHDSACASA-N 0 3 247.335 0.467 20 0 BCADHN COC1(OC)CCN(C[C@H]2CCCO2)C[C@@H]1O ZINC000931642321 640301751 /nfs/dbraw/zinc/30/17/51/640301751.db2.gz QAKGGHVNSVLSHU-MNOVXSKESA-N 0 3 245.319 0.221 20 0 BCADHN CCOCCOCCN1C[C@H]2C[C@@]2(O)C1 ZINC000931700035 640323240 /nfs/dbraw/zinc/32/32/40/640323240.db2.gz UQJIHLCCYCUZRH-GHMZBOCLSA-N 0 3 215.293 0.106 20 0 BCADHN Cc1c[nH]c(CNC(=O)[C@H](C(C)C)N(C)C)n1 ZINC000913213979 640339504 /nfs/dbraw/zinc/33/95/04/640339504.db2.gz KQCQQQUUGYRZOC-NSHDSACASA-N 0 3 238.335 0.921 20 0 BCADHN Cc1ccccc1[C@H](CO)N(C)C[C@@H](O)CO ZINC000931745165 640346719 /nfs/dbraw/zinc/34/67/19/640346719.db2.gz YSONLOHRWMAXEV-YPMHNXCESA-N 0 3 239.315 0.313 20 0 BCADHN Cc1ccccc1[C@@H](CO)N(C)C[C@@H](O)CO ZINC000931745163 640348060 /nfs/dbraw/zinc/34/80/60/640348060.db2.gz YSONLOHRWMAXEV-DGCLKSJQSA-N 0 3 239.315 0.313 20 0 BCADHN C[C@@H]1C[C@H](N2C(=O)CN(C)C2=O)CN1C1CC1 ZINC000348982584 640351359 /nfs/dbraw/zinc/35/13/59/640351359.db2.gz YVWHFKSBUSKLCE-SCZZXKLOSA-N 0 3 237.303 0.506 20 0 BCADHN C/C=C\[C@@H](O)C(=O)NC[C@@H]1CCCN1C ZINC000913335222 640354062 /nfs/dbraw/zinc/35/40/62/640354062.db2.gz ZYESEJVTUCWOQV-NFXDQBBPSA-N 0 3 212.293 0.134 20 0 BCADHN CC[C@H](CO)NCc1c(C)nnn1CC ZINC000931770899 640362354 /nfs/dbraw/zinc/36/23/54/640362354.db2.gz CRLYKKPOSRFJBE-SECBINFHSA-N 0 3 212.297 0.467 20 0 BCADHN CC[C@H](CO)NCC(=O)Nc1ccccn1 ZINC000931771822 640365091 /nfs/dbraw/zinc/36/50/91/640365091.db2.gz JOFUZEHDVPTAKV-SECBINFHSA-N 0 3 223.276 0.381 20 0 BCADHN CCc1nc([C@@H](C)N[C@@H](CC)CO)n[nH]1 ZINC000931773164 640366085 /nfs/dbraw/zinc/36/60/85/640366085.db2.gz QKUFVCHNEKRZRB-SFYZADRCSA-N 0 3 212.297 0.789 20 0 BCADHN CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1CN(C)C2 ZINC000913533070 640386602 /nfs/dbraw/zinc/38/66/02/640386602.db2.gz XVGYIGHLAPHMRJ-TUAOUCFPSA-N 0 3 237.347 0.386 20 0 BCADHN Cc1nc([C@@H]2CCN(C[C@@H](O)C3CC3)C2)no1 ZINC000931936310 640397274 /nfs/dbraw/zinc/39/72/74/640397274.db2.gz XKNLECOIYCRETM-GHMZBOCLSA-N 0 3 237.303 0.938 20 0 BCADHN CC[C@@H](O)CN1CC[C@H](c2noc(C)n2)C1 ZINC000931942138 640399688 /nfs/dbraw/zinc/39/96/88/640399688.db2.gz UMDOSJZHHGMRET-VHSXEESVSA-N 0 3 225.292 0.938 20 0 BCADHN CNC(=O)CCN1CC[C@H](c2noc(C)n2)C1 ZINC000931947129 640401987 /nfs/dbraw/zinc/40/19/87/640401987.db2.gz PGXFGCWBWRSXLY-VIFPVBQESA-N 0 3 238.291 0.303 20 0 BCADHN CN1CCC[C@@H](NC(=O)COC(F)(F)F)C1 ZINC000932069963 640419008 /nfs/dbraw/zinc/41/90/08/640419008.db2.gz CQRMOAQDXLNOCE-SSDOTTSWSA-N 0 3 240.225 0.733 20 0 BCADHN CCCn1cc(CNCC[S@@](C)=O)cn1 ZINC000164125560 640449793 /nfs/dbraw/zinc/44/97/93/640449793.db2.gz QGRGFIHKXTWYII-HNNXBMFYSA-N 0 3 229.349 0.761 20 0 BCADHN CSC[C@@](C)(O)CNCc1c[nH]cn1 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DRRAUAXSIGOPCN-JTQLQIEISA-N 0 3 212.297 0.312 20 0 BCADHN C[C@@H]([NH3+])[C@H](C)C(=O)[N-]OCC(F)(F)F ZINC000165606369 640587573 /nfs/dbraw/zinc/58/75/73/640587573.db2.gz XOVUVXGSFAPFTO-CRCLSJGQSA-N 0 3 214.187 0.580 20 0 BCADHN CC[N@@H+]1CC[C@]2(NC(=O)c3cnn[n-]3)CCC[C@@H]12 ZINC000991574962 640592716 /nfs/dbraw/zinc/59/27/16/640592716.db2.gz ZXGGMUDJJGYJTM-ZYHUDNBSSA-N 0 3 249.318 0.551 20 0 BCADHN CC[N@H+]1CC[C@]2(NC(=O)c3cnn[n-]3)CCC[C@@H]12 ZINC000991574962 640592721 /nfs/dbraw/zinc/59/27/21/640592721.db2.gz ZXGGMUDJJGYJTM-ZYHUDNBSSA-N 0 3 249.318 0.551 20 0 BCADHN CCOC(=O)[C@@H]1CCN(CC(OC)OC)C1 ZINC000932640710 640595366 /nfs/dbraw/zinc/59/53/66/640595366.db2.gz CUVPBRDDZUQXGJ-SECBINFHSA-N 0 3 231.292 0.490 20 0 BCADHN OCc1cc(N2CC[C@H](CO)C2)ccn1 ZINC000166038057 640609125 /nfs/dbraw/zinc/60/91/25/640609125.db2.gz JJWMRZVNVOFKTH-VIFPVBQESA-N 0 3 208.261 0.393 20 0 BCADHN CCCCN1CC(NC(=O)[C@@H]2CCCN2C)C1 ZINC001030160755 640644109 /nfs/dbraw/zinc/64/41/09/640644109.db2.gz 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RWZNDEYTIFCLAM-UHFFFAOYSA-N 0 3 223.280 0.291 20 0 BCADHN CN(C)C(=O)CNC1([C@H]2CCCCO2)CC1 ZINC000933370045 640709760 /nfs/dbraw/zinc/70/97/60/640709760.db2.gz MRIIFVGTKMWJSW-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@H](O)CN(C)Cc1cccc(=O)[nH]1 ZINC000933399175 640713588 /nfs/dbraw/zinc/71/35/88/640713588.db2.gz RHHFAYUFJAQMPU-JTQLQIEISA-N 0 3 210.277 0.990 20 0 BCADHN CC[C@@H](CO)N(C)Cc1cccc(=O)[nH]1 ZINC000933400723 640714285 /nfs/dbraw/zinc/71/42/85/640714285.db2.gz AKFJLRHFZNGYBB-JTQLQIEISA-N 0 3 210.277 0.990 20 0 BCADHN CCNC(=O)CN[C@]12C[C@H]1COC21CCC1 ZINC000933392784 640714301 /nfs/dbraw/zinc/71/43/01/640714301.db2.gz AKNWBWWASURJMO-JOYOIKCWSA-N 0 3 224.304 0.424 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)Nc2cnn(C)c2)C1 ZINC000167399495 640716294 /nfs/dbraw/zinc/71/62/94/640716294.db2.gz AOQRKMRHYUTQKT-SCZZXKLOSA-N 0 3 222.292 0.747 20 0 BCADHN C[C@H](O)CCN1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933662835 640738370 /nfs/dbraw/zinc/73/83/70/640738370.db2.gz IUCUNCDHOOTEPP-YNEHKIRRSA-N 0 3 243.347 0.885 20 0 BCADHN CCN1CC(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001030301652 640739266 /nfs/dbraw/zinc/73/92/66/640739266.db2.gz LLPSGCGPXFYWSK-GFCCVEGCSA-N 0 3 239.363 0.680 20 0 BCADHN CNC(=O)[C@H](C)CN(C)C/C=C(/C)C(=O)OC ZINC000226202598 640740110 /nfs/dbraw/zinc/74/01/10/640740110.db2.gz QQUPHMMDYZXIBK-ABRRARGCSA-N 0 3 242.319 0.420 20 0 BCADHN C[C@@H]1C[C@@H]1CN1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933721113 640749648 /nfs/dbraw/zinc/74/96/48/640749648.db2.gz YPKRUEYPOYHPAM-DBIOUOCHSA-N 0 3 229.345 0.619 20 0 BCADHN C[C@@H](C1CC1)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933720154 640751557 /nfs/dbraw/zinc/75/15/57/640751557.db2.gz DLHSGAZZMQLXIV-INTQDDNPSA-N 0 3 229.345 0.761 20 0 BCADHN CCOC[C@@H](O)CN1CCC[C@H]1C1OCCO1 ZINC000933909641 640788162 /nfs/dbraw/zinc/78/81/62/640788162.db2.gz OLDMONYQUXTTHK-QWRGUYRKSA-N 0 3 245.319 0.221 20 0 BCADHN CC[C@](C)(O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000933926528 640791026 /nfs/dbraw/zinc/79/10/26/640791026.db2.gz DIBANAXOLIMWQQ-PWSUYJOCSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@@H](CN1CCO[C@@H]2COCC[C@@H]21)OC ZINC000933963423 640796219 /nfs/dbraw/zinc/79/62/19/640796219.db2.gz CTWGCEYMUQWYLV-SDDRHHMPSA-N 0 3 229.320 0.901 20 0 BCADHN CN(C)CCN(C)C(=O)/C=C\c1cn(C)cn1 ZINC000934008190 640805970 /nfs/dbraw/zinc/80/59/70/640805970.db2.gz PURSKGULJWUVHI-WAYWQWQTSA-N 0 3 236.319 0.453 20 0 BCADHN CN(C(=O)N[C@H]1CCOC1)[C@H]1CCCN(C)C1 ZINC000227059131 640813384 /nfs/dbraw/zinc/81/33/84/640813384.db2.gz KRMPJFYIYUBMEL-QWRGUYRKSA-N 0 3 241.335 0.511 20 0 BCADHN CS[C@H](CO)[C@H](C)Nc1cc(C)nc(N)n1 ZINC000227059713 640813814 /nfs/dbraw/zinc/81/38/14/640813814.db2.gz KJKUGLKVHKETKU-JGVFFNPUSA-N 0 3 242.348 0.892 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H]1CCC[C@@H]1C ZINC000227383454 640831504 /nfs/dbraw/zinc/83/15/04/640831504.db2.gz HZJOGNRIWGXSLD-CIUDSAMLSA-N 0 3 200.282 0.265 20 0 BCADHN CO[C@@H](CN)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000227345597 640828704 /nfs/dbraw/zinc/82/87/04/640828704.db2.gz FLJSFVZAYHZQSF-AEJSXWLSSA-N 0 3 214.309 0.750 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1nccs1 ZINC000227341484 640829050 /nfs/dbraw/zinc/82/90/50/640829050.db2.gz GPPZXMSUZXOGFD-YFKPBYRVSA-N 0 3 201.251 0.055 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC[C@H](C)C1 ZINC000227341874 640829336 /nfs/dbraw/zinc/82/93/36/640829336.db2.gz IIPGOSNYGDMJIE-IUCAKERBSA-N 0 3 200.282 0.219 20 0 BCADHN COc1ccccc1N(C)C(=O)[C@H](CN)OC ZINC000227379778 640830603 /nfs/dbraw/zinc/83/06/03/640830603.db2.gz RRILHHBHWBQXFZ-NSHDSACASA-N 0 3 238.287 0.632 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H](C)CCSC ZINC000227404947 640831573 /nfs/dbraw/zinc/83/15/73/640831573.db2.gz LOMRUFFROMVZRE-YUMQZZPRSA-N 0 3 220.338 0.218 20 0 BCADHN O[C@H]1CC[C@@H](CNCc2cnccn2)C1 ZINC000227558963 640841740 /nfs/dbraw/zinc/84/17/40/640841740.db2.gz ZLYJAUDBSCGASZ-KOLCDFICSA-N 0 3 207.277 0.727 20 0 BCADHN C[C@@H]1OCC[C@@]1(O)CNCc1c[nH]cn1 ZINC000227970978 640854777 /nfs/dbraw/zinc/85/47/77/640854777.db2.gz GKYVRSNKSOHWHP-WCBMZHEXSA-N 0 3 211.265 0.039 20 0 BCADHN C[C@@H]1OCC[C@@]1(O)CNCc1ccoc1 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216.281 0.688 20 0 BCADHN CCCC(=O)N1CCC[C@H](N[C@@H](C)C(N)=O)C1 ZINC000998370577 643704099 /nfs/dbraw/zinc/70/40/99/643704099.db2.gz DXDUSVRMYZQMOH-UWVGGRQHSA-N 0 3 241.335 0.241 20 0 BCADHN CSCC(=O)N1CCC[C@H](NCCF)C1 ZINC000998470482 643708548 /nfs/dbraw/zinc/70/85/48/643708548.db2.gz NSAIEDZQNNDWKD-VIFPVBQESA-N 0 3 234.340 0.900 20 0 BCADHN CC(C)C(=O)N1CCC[C@H](N[C@H](C)C(N)=O)C1 ZINC000998564104 643712265 /nfs/dbraw/zinc/71/22/65/643712265.db2.gz WGEGMAIZWBAXJK-ZJUUUORDSA-N 0 3 241.335 0.097 20 0 BCADHN COC(CN1CCN(CC(C)C)CC1)OC ZINC000085351456 643747138 /nfs/dbraw/zinc/74/71/38/643747138.db2.gz OVHVOFWDLMNGBK-UHFFFAOYSA-N 0 3 230.352 0.879 20 0 BCADHN CO[C@@H](C)C(=O)N1CCC[C@H](NCCF)C1 ZINC000998646451 643715706 /nfs/dbraw/zinc/71/57/06/643715706.db2.gz IBDZHPKDZGFIAG-UWVGGRQHSA-N 0 3 232.299 0.571 20 0 BCADHN O=C(c1ccon1)N1CCC[C@@H](NCCF)C1 ZINC000998634910 643716638 /nfs/dbraw/zinc/71/66/38/643716638.db2.gz PFAAEXDTSCTEOY-SECBINFHSA-N 0 3 241.266 0.838 20 0 BCADHN 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COCWFPPZOVHZDM-VIFPVBQESA-N 0 3 212.322 0.921 20 0 BCADHN CCc1nc(CN[C@H](C)[C@H](C)OC)n[nH]1 ZINC000392346925 644176553 /nfs/dbraw/zinc/17/65/53/644176553.db2.gz NUFZYZMIYICKJC-SFYZADRCSA-N 0 3 212.297 0.880 20 0 BCADHN CCN1CC[C@@H](NC(=O)NCC2CSC2)C1 ZINC000922909382 644187619 /nfs/dbraw/zinc/18/76/19/644187619.db2.gz SGXWFTXOZWCXPI-SNVBAGLBSA-N 0 3 243.376 0.743 20 0 BCADHN Cc1ccc(NCCNCc2cnnn2C)nc1 ZINC000922924629 644189104 /nfs/dbraw/zinc/18/91/04/644189104.db2.gz GCKUYZDGRQCDMG-UHFFFAOYSA-N 0 3 246.318 0.720 20 0 BCADHN CCOCCOCCNCc1cncn1C ZINC000922942538 644196422 /nfs/dbraw/zinc/19/64/22/644196422.db2.gz ZTJSAGNCJRBILO-UHFFFAOYSA-N 0 3 227.308 0.563 20 0 BCADHN CCOCCOCCNCc1cn[nH]c1 ZINC000922945285 644197210 /nfs/dbraw/zinc/19/72/10/644197210.db2.gz RGWGWUKBYMFHNK-UHFFFAOYSA-N 0 3 213.281 0.552 20 0 BCADHN Cc1n[nH]c(CNC[C@@H](O)c2ccnn2C)c1C ZINC000922973164 644209374 /nfs/dbraw/zinc/20/93/74/644209374.db2.gz AEAYRNZWUVCFRR-GFCCVEGCSA-N 0 3 249.318 0.583 20 0 BCADHN Cc1c[nH]c(CN[C@H]2CCc3nnn(C)c3C2)n1 ZINC000922991117 644218232 /nfs/dbraw/zinc/21/82/32/644218232.db2.gz FUKYRVXRSYGHFT-VIFPVBQESA-N 0 3 246.318 0.494 20 0 BCADHN CN(CCN1CCOCC1)C[C@@H]1CCC=CO1 ZINC000193865374 644284569 /nfs/dbraw/zinc/28/45/69/644284569.db2.gz WSLWWMRBKYDSTL-ZDUSSCGKSA-N 0 3 240.347 0.943 20 0 BCADHN CC[C@@H](CO)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923263017 644307555 /nfs/dbraw/zinc/30/75/55/644307555.db2.gz GAPMEBHYTSVARL-TUAOUCFPSA-N 0 3 240.347 0.700 20 0 BCADHN Cn1nccc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000923295859 644332146 /nfs/dbraw/zinc/33/21/46/644332146.db2.gz JFFIAVVCJZRWQK-WDEREUQCSA-N 0 3 248.330 0.729 20 0 BCADHN COC(=O)CC(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923303685 644340417 /nfs/dbraw/zinc/34/04/17/644340417.db2.gz IBFGZRLOKOTXRD-ZJUUUORDSA-N 0 3 240.303 0.245 20 0 BCADHN C[C@H](N)C(=O)N1CCC(c2cn[nH]c2)CC1 ZINC000083911609 644413743 /nfs/dbraw/zinc/41/37/43/644413743.db2.gz QQOWRTWDQOHYDI-QMMMGPOBSA-N 0 3 222.292 0.463 20 0 BCADHN 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CC[C@@H]1CCN(CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000246236158 644575562 /nfs/dbraw/zinc/57/55/62/644575562.db2.gz NMZBMRWXBQLGHS-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C)C1(C(=O)N2CC[C@](C)(O)C2)CCC1 ZINC000763061538 644655001 /nfs/dbraw/zinc/65/50/01/644655001.db2.gz DYBMWVZLSMQORC-NSHDSACASA-N 0 3 226.320 0.454 20 0 BCADHN CO[C@@H]1CC(=O)N(CN2CC[C@@H](C)[C@@H]2C)C1 ZINC000249285451 644715938 /nfs/dbraw/zinc/71/59/38/644715938.db2.gz LMQVCEGWNJGIBQ-OUAUKWLOSA-N 0 3 226.320 0.922 20 0 BCADHN N[C@H](CC1CC1)C(=O)NC[C@H]1CCCCO1 ZINC000304317137 644890013 /nfs/dbraw/zinc/89/00/13/644890013.db2.gz FBQCMNSMGIKNCZ-GHMZBOCLSA-N 0 3 226.320 0.799 20 0 BCADHN C[C@]1(CNC(=O)[C@H](N)CC2CC2)CCCO1 ZINC000304324870 644893419 /nfs/dbraw/zinc/89/34/19/644893419.db2.gz GOTQRBGCTGAEDT-ZYHUDNBSSA-N 0 3 226.320 0.799 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCC1CCOCC1 ZINC000304374337 644898690 /nfs/dbraw/zinc/89/86/90/644898690.db2.gz PFLOKYMXZFVIGE-NSHDSACASA-N 0 3 226.320 0.657 20 0 BCADHN 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LYJZTCZSLSOOHH-JGVFFNPUSA-N 0 3 238.278 0.758 20 0 BCADHN COc1cncc(CNCC[S@@](C)=O)c1 ZINC000700113230 711986353 /nfs/dbraw/zinc/98/63/53/711986353.db2.gz DBVZTGALBGKIII-OAHLLOKOSA-N 0 3 228.317 0.558 20 0 BCADHN COCC[C@H](N)C(=O)NC(C)(C)C(C)C ZINC000700485649 711994554 /nfs/dbraw/zinc/99/45/54/711994554.db2.gz IDOKORZCMZHVAG-VIFPVBQESA-N 0 3 216.325 0.901 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@@]1(C)CC1(C)C ZINC000702399956 712049864 /nfs/dbraw/zinc/04/98/64/712049864.db2.gz DDTGSJLUFURQNQ-KWQFWETISA-N 0 3 213.325 0.180 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC1(C2CC2)CCC1 ZINC000702389866 712050106 /nfs/dbraw/zinc/05/01/06/712050106.db2.gz WVSHTQKZLCQGSR-NSHDSACASA-N 0 3 239.363 0.572 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC(C)(C)C1 ZINC000702388090 712050477 /nfs/dbraw/zinc/05/04/77/712050477.db2.gz WBSLWWVVVOVNBR-VIFPVBQESA-N 0 3 213.325 0.134 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@H]1CC=CCC1 ZINC000702368429 712048350 /nfs/dbraw/zinc/04/83/50/712048350.db2.gz BBDVOHFCWOSLCI-UWVGGRQHSA-N 0 3 211.309 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O=C(C(F)F)N1CCC2(CN(CCO)C2)CC1 ZINC001035631139 712138358 /nfs/dbraw/zinc/13/83/58/712138358.db2.gz WIQUGCAMIBOHQB-UHFFFAOYSA-N 0 3 248.273 0.168 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@@H]1CCCC12CC2 ZINC000706513995 712147860 /nfs/dbraw/zinc/14/78/60/712147860.db2.gz NSSTWGWEELHVMX-VHSXEESVSA-N 0 3 225.336 0.324 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H](C)CC1CCC1 ZINC000710293432 712251117 /nfs/dbraw/zinc/25/11/17/712251117.db2.gz VPFUYFAMXPOMHD-SCZZXKLOSA-N 0 3 214.309 0.655 20 0 BCADHN COCC[C@@H](COC)N[C@@H]1CCC1(OC)OC ZINC000710992928 712273288 /nfs/dbraw/zinc/27/32/88/712273288.db2.gz GURINZKPHNYXDK-WDEREUQCSA-N 0 3 247.335 0.779 20 0 BCADHN CN1CC[C@@H](NCc2cnn(C)c2Cl)C1 ZINC000378765309 712361443 /nfs/dbraw/zinc/36/14/43/712361443.db2.gz CNVUFEBRGIGHQA-SECBINFHSA-N 0 3 228.727 0.867 20 0 BCADHN CCC1(NCc2cnn(C)n2)CCOCC1 ZINC000378860721 712364061 /nfs/dbraw/zinc/36/40/61/712364061.db2.gz PLAPXRLSWDXGQD-UHFFFAOYSA-N 0 3 224.308 0.864 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)Cc1[nH]c(C)nc1C ZINC000724782473 712392421 /nfs/dbraw/zinc/39/24/21/712392421.db2.gz ARBOEHPCPPTZGC-QMMMGPOBSA-N 0 3 238.335 0.840 20 0 BCADHN C[S@@](=O)CCNC[C@@](C)(O)C(F)(F)F ZINC000379628774 712390989 /nfs/dbraw/zinc/39/09/89/712390989.db2.gz LPGFFEKFBLWEIY-RWBAJPLHSA-N 0 3 233.255 0.268 20 0 BCADHN CN1CC[C@H]1CNCc1c(Cl)cnn1C ZINC000712555817 712445349 /nfs/dbraw/zinc/44/53/49/712445349.db2.gz HQBJWSWQTJXEDT-QMMMGPOBSA-N 0 3 228.727 0.867 20 0 BCADHN CCC[C@H](C)N(C)S(=O)(=O)N1CCNCC1 ZINC000036791085 712495046 /nfs/dbraw/zinc/49/50/46/712495046.db2.gz DMTKDNLQHWDSIR-JTQLQIEISA-N 0 3 249.380 0.257 20 0 BCADHN C[C@H](CO)CCCN[C@@H](C)c1cn(C)nn1 ZINC000715879139 712539432 /nfs/dbraw/zinc/53/94/32/712539432.db2.gz SJXMLAYIJQAKIJ-UWVGGRQHSA-N 0 3 226.324 0.874 20 0 BCADHN COCC[C@@H](N)C(=O)NCC[C@@H]1CCCS1 ZINC000715895020 712540749 /nfs/dbraw/zinc/54/07/49/712540749.db2.gz OTKYXKPZFAZOCY-VHSXEESVSA-N 0 3 246.376 0.752 20 0 BCADHN CO[C@H]1C[C@@H](CN[C@H](C)c2cn(C)nn2)C1 ZINC000715895085 712540516 /nfs/dbraw/zinc/54/05/16/712540516.db2.gz UOZFRFUOXOPOSJ-BBBLOLIVSA-N 0 3 224.308 0.891 20 0 BCADHN CO[C@@H](CN)C(=O)NCC[C@H]1CCCS1 ZINC000716053857 712548930 /nfs/dbraw/zinc/54/89/30/712548930.db2.gz MDYRNSVQVBWMQY-BDAKNGLRSA-N 0 3 232.349 0.362 20 0 BCADHN CCOC(=O)/C=C/CN[C@](C)(CO)COC ZINC000716805007 712575393 /nfs/dbraw/zinc/57/53/93/712575393.db2.gz SVKJTJBNXVXABA-MVIFTORASA-N 0 3 231.292 0.093 20 0 BCADHN Cc1cc(F)ccc1CNC[C@H](O)[C@@H](C)O ZINC000717308852 712646178 /nfs/dbraw/zinc/64/61/78/712646178.db2.gz QFXYTTPTRLDVSF-SKDRFNHKSA-N 0 3 227.279 0.965 20 0 BCADHN COc1cccc(CNC[C@H](O)[C@H](C)O)c1 ZINC000717308888 712646191 /nfs/dbraw/zinc/64/61/91/712646191.db2.gz RAKLDFWPWXXPCM-CABZTGNLSA-N 0 3 225.288 0.527 20 0 BCADHN COCc1csc(CNC[C@H](O)[C@H](C)O)c1 ZINC000717377350 712652498 /nfs/dbraw/zinc/65/24/98/712652498.db2.gz UQQBUSCAMILZFP-KWQFWETISA-N 0 3 245.344 0.726 20 0 BCADHN CCOc1cccc(CNC[C@H](O)[C@H](C)O)c1 ZINC000717397344 712654147 /nfs/dbraw/zinc/65/41/47/712654147.db2.gz RLFCNPZHPCCZRN-GWCFXTLKSA-N 0 3 239.315 0.917 20 0 BCADHN Cc1ccncc1CNC[C@@H](O)[C@H](C)O ZINC000717428517 712657471 /nfs/dbraw/zinc/65/74/71/712657471.db2.gz QUUSRFIMEDICKV-GXSJLCMTSA-N 0 3 210.277 0.221 20 0 BCADHN CC[NH2+]CCC[N-]S(=O)(=O)c1ccns1 ZINC000717737137 712669364 /nfs/dbraw/zinc/66/93/64/712669364.db2.gz RURWFLLBLDTGSS-UHFFFAOYSA-N 0 3 249.361 0.421 20 0 BCADHN COCC[C@@H](N)C(=O)NC1CC(C)C1 ZINC000123447172 712693813 /nfs/dbraw/zinc/69/38/13/712693813.db2.gz DAZUPFOMRMYUSQ-AMDVSUOASA-N 0 3 200.282 0.265 20 0 BCADHN Cn1cc([C@H](O)CNCC2(F)CC2)cn1 ZINC000380184371 712706461 /nfs/dbraw/zinc/70/64/61/712706461.db2.gz MQXOBPLLUXIVMC-SECBINFHSA-N 0 3 213.256 0.545 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@H](N)CC1CC1 ZINC000380213614 712727210 /nfs/dbraw/zinc/72/72/10/712727210.db2.gz ISZUOERJTRNZQF-SECBINFHSA-N 0 3 222.292 0.462 20 0 BCADHN Cc1coc(C(=O)NC[C@H]2CNCCO2)c1 ZINC000718476157 712766368 /nfs/dbraw/zinc/76/63/68/712766368.db2.gz LHRYFMKTZVDTGZ-SECBINFHSA-N 0 3 224.260 0.306 20 0 BCADHN Cc1coc(C(=O)NOCCN(C)C)c1 ZINC000718570797 712775140 /nfs/dbraw/zinc/77/51/40/712775140.db2.gz YZEAYUVIJKHHTM-UHFFFAOYSA-N 0 3 212.249 0.811 20 0 BCADHN CC(C)OC[C@@H](O)CNCc1ccccn1 ZINC000037850641 712775730 /nfs/dbraw/zinc/77/57/30/712775730.db2.gz JSSVRXCITSGJLN-LBPRGKRZSA-N 0 3 224.304 0.957 20 0 BCADHN CCOC(=O)/C=C/CN1C[C@@H]2COC[C@@H]2C1 ZINC000718648001 712776635 /nfs/dbraw/zinc/77/66/35/712776635.db2.gz RWZYSOIGYCTRLH-VMDCKITASA-N 0 3 225.288 0.684 20 0 BCADHN C[C@@H]1CCN(C(=O)c2c(CN)cnn2C)[C@@H]1C ZINC000719205090 712800098 /nfs/dbraw/zinc/80/00/98/712800098.db2.gz MJWHYAWDVQMZES-RKDXNWHRSA-N 0 3 236.319 0.749 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)c1c(CN)cnn1C ZINC000719257075 712802171 /nfs/dbraw/zinc/80/21/71/712802171.db2.gz QDVLCFVVFVPVPZ-VXNVDRBHSA-N 0 3 222.292 0.407 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000719342213 712804888 /nfs/dbraw/zinc/80/48/88/712804888.db2.gz VKRBRIKPBFRZOG-WCBMZHEXSA-N 0 3 222.292 0.541 20 0 BCADHN C[C@H]1[C@@H](NC(=O)N2CCCC2)CCN1C ZINC000719374372 712805839 /nfs/dbraw/zinc/80/58/39/712805839.db2.gz SFRGEHUJXRPVBM-UWVGGRQHSA-N 0 3 211.309 0.884 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCO[C@@H](C)CC1 ZINC000720430551 712842283 /nfs/dbraw/zinc/84/22/83/712842283.db2.gz FRQCRDNYEQIRHE-GXSJLCMTSA-N 0 3 231.292 0.021 20 0 BCADHN COCCN(CCO)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720566049 712851417 /nfs/dbraw/zinc/85/14/17/712851417.db2.gz KDPIIRQJAFTWHQ-AVGNSLFASA-N 0 3 243.347 0.885 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720877434 712872915 /nfs/dbraw/zinc/87/29/15/712872915.db2.gz NHESLNFRHPCLTH-MXWKQRLJSA-N 0 3 226.320 0.716 20 0 BCADHN Cc1nc(C)c(CNC[C@@H]2COCCN2)s1 ZINC000381154921 710604393 /nfs/dbraw/zinc/60/43/93/710604393.db2.gz PVSNUNGUGWJXNP-SNVBAGLBSA-N 0 3 241.360 0.838 20 0 BCADHN CC[C@H](C)[C@H](CN[C@@H]1CCS(=O)(=O)C1)OC ZINC000381441070 710636651 /nfs/dbraw/zinc/63/66/51/710636651.db2.gz YIJNQZDEOZJPGV-AXFHLTTASA-N 0 3 249.376 0.824 20 0 BCADHN CC(C)CN1CC[C@H]1CNC(=O)c1cnccn1 ZINC001038022298 712899137 /nfs/dbraw/zinc/89/91/37/712899137.db2.gz XARBWQMYRCETSL-NSHDSACASA-N 0 3 248.330 0.937 20 0 BCADHN CC[C@@]1(O)CCN(c2cc(C)nc(N)n2)C1 ZINC000381552472 710653996 /nfs/dbraw/zinc/65/39/96/710653996.db2.gz NBYLXOSHEVZDMS-LLVKDONJSA-N 0 3 222.292 0.549 20 0 BCADHN CO[C@H](C)CC(=O)N1CCNCC1(C)C ZINC000381587269 710658532 /nfs/dbraw/zinc/65/85/32/710658532.db2.gz IBFWUYDGOBDEEW-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)CN1CC[C@@H]1CNC(=O)c1cccnn1 ZINC001038835835 710710447 /nfs/dbraw/zinc/71/04/47/710710447.db2.gz CJOGGHVBLCCRGY-LLVKDONJSA-N 0 3 248.330 0.937 20 0 BCADHN C[C@H]1OCC[C@H]1NCc1cnc2n1CCOC2 ZINC000722827445 710720609 /nfs/dbraw/zinc/72/06/09/710720609.db2.gz PHUBUVCLVRPFKK-MWLCHTKSSA-N 0 3 237.303 0.680 20 0 BCADHN c1nc2n(c1CNC[C@H]1CCCO1)CCOC2 ZINC000722826900 710720661 /nfs/dbraw/zinc/72/06/61/710720661.db2.gz KUCBJOKFKOWZNC-LLVKDONJSA-N 0 3 237.303 0.682 20 0 BCADHN CC(C)[C@H](O)CNCc1cnc2n1CCOC2 ZINC000722845561 710722108 /nfs/dbraw/zinc/72/21/08/710722108.db2.gz RVDARYMTRMLMAY-LLVKDONJSA-N 0 3 239.319 0.520 20 0 BCADHN O[C@H]1CCCN(CCO[C@@H]2CCOC2)C1 ZINC000724974518 710751884 /nfs/dbraw/zinc/75/18/84/710751884.db2.gz BWDFEUMDYGUMIW-WDEREUQCSA-N 0 3 215.293 0.249 20 0 BCADHN COCC[C@@H](N)C(=O)N1CCC2(CCC2)C1 ZINC000380533989 712901421 /nfs/dbraw/zinc/90/14/21/712901421.db2.gz DEGAJIPDUNJDTB-SNVBAGLBSA-N 0 3 226.320 0.753 20 0 BCADHN C[C@H]1COCC[C@@H]1CNCc1cnn(C)n1 ZINC000382004837 710765066 /nfs/dbraw/zinc/76/50/66/710765066.db2.gz AQWJJBNSCGDXTE-VHSXEESVSA-N 0 3 224.308 0.577 20 0 BCADHN O=C(C(F)F)N1CC[C@H]2CCN(CCO)[C@@H]2C1 ZINC001041875315 710772145 /nfs/dbraw/zinc/77/21/45/710772145.db2.gz CZTBAZFSXXOSOV-RKDXNWHRSA-N 0 3 248.273 0.167 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)CC[C@H]1CCCO1 ZINC000382083298 710774851 /nfs/dbraw/zinc/77/48/51/710774851.db2.gz IZCOUORVDNGWJA-SNVBAGLBSA-N 0 3 230.308 0.555 20 0 BCADHN CSC[C@@H](C)C(=O)NOCCN(C)C ZINC000382085498 710775145 /nfs/dbraw/zinc/77/51/45/710775145.db2.gz JUMVHUFCMHXCJA-MRVPVSSYSA-N 0 3 220.338 0.595 20 0 BCADHN CC(=O)N1CCC[C@H]1CNCc1cnn(C)c1 ZINC001044890870 710830563 /nfs/dbraw/zinc/83/05/63/710830563.db2.gz XUBIRRBUPHTVBD-LBPRGKRZSA-N 0 3 236.319 0.521 20 0 BCADHN Cc1ncc(C(=O)NOCCN(C)C)s1 ZINC000382142135 710800214 /nfs/dbraw/zinc/80/02/14/710800214.db2.gz AZYUSSWOINZTOB-UHFFFAOYSA-N 0 3 229.305 0.675 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cnccn2)C1 ZINC001046112544 710849559 /nfs/dbraw/zinc/84/95/59/710849559.db2.gz BEAWTULULFOTSQ-LBPRGKRZSA-N 0 3 234.303 0.691 20 0 BCADHN C[C@@]1(NC(=O)C2=CCCC2)CCN(CCO)C1 ZINC001046240222 710857586 /nfs/dbraw/zinc/85/75/86/710857586.db2.gz QHTCMXSTPWKLPM-CYBMUJFWSA-N 0 3 238.331 0.670 20 0 BCADHN COCCN1CC[C@](C)(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001046555300 710861676 /nfs/dbraw/zinc/86/16/76/710861676.db2.gz WGLVOXZFAJEJHS-GVXVVHGQSA-N 0 3 240.347 0.869 20 0 BCADHN COCCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001046542158 710862182 /nfs/dbraw/zinc/86/21/82/710862182.db2.gz WGLVOXZFAJEJHS-NQBHXWOUSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)C(=O)N[C@@H]1CC[C@H](C)N(CCCO)C1 ZINC001071349931 710868566 /nfs/dbraw/zinc/86/85/66/710868566.db2.gz NMANQWLXMQVVFF-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN CON(C)C(=O)CN[C@H]1CS[C@@H](C)C1 ZINC000397467568 710909046 /nfs/dbraw/zinc/90/90/46/710909046.db2.gz NYLPSLOEDNWANK-JGVFFNPUSA-N 0 3 218.322 0.490 20 0 BCADHN C[C@@H]1CN(C(=O)c2cocn2)C[C@H]1NCCF ZINC001054474363 710935984 /nfs/dbraw/zinc/93/59/84/710935984.db2.gz UBAJDTIBVHLKLJ-RKDXNWHRSA-N 0 3 241.266 0.694 20 0 BCADHN C[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1NCCF ZINC001054634050 710940505 /nfs/dbraw/zinc/94/05/05/710940505.db2.gz JFRDZSZPOCGONU-IUCAKERBSA-N 0 3 240.282 0.429 20 0 BCADHN CCCN1CCN([C@H]2CCN(C(C)=O)C2)CC1 ZINC001051963080 710959611 /nfs/dbraw/zinc/95/96/11/710959611.db2.gz OFUBHTDDMISYMS-ZDUSSCGKSA-N 0 3 239.363 0.635 20 0 BCADHN CCN(CC)C(=O)CNC(=O)[C@H](C)NC1CC1 ZINC000383091136 710977473 /nfs/dbraw/zinc/97/74/73/710977473.db2.gz VUFPVFMMLHVPNG-VIFPVBQESA-N 0 3 241.335 0.112 20 0 BCADHN COCC[C@@H](N)C(=O)N1C[C@@H](C)CC1(C)C ZINC000380596182 712901965 /nfs/dbraw/zinc/90/19/65/712901965.db2.gz XPHNEOLKMSMILI-VHSXEESVSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H](N)CC2CC2)[C@@H](C)O1 ZINC000384678304 710995206 /nfs/dbraw/zinc/99/52/06/710995206.db2.gz ZWJLFWAAQLNCES-OYBPUVFXSA-N 0 3 226.320 0.796 20 0 BCADHN Cc1cc(N[C@@H](C)CC(C)(C)O)nc(N)n1 ZINC000384836854 710998382 /nfs/dbraw/zinc/99/83/82/710998382.db2.gz HZBRJGFUXATOOM-QMMMGPOBSA-N 0 3 224.308 0.581 20 0 BCADHN C[C@H](C[C@@H]1CCC(=O)N1)NCc1cc[nH]n1 ZINC000380675882 712902298 /nfs/dbraw/zinc/90/22/98/712902298.db2.gz DHILZBBCAIMZKJ-BDAKNGLRSA-N 0 3 222.292 0.557 20 0 BCADHN CCS(=O)(=O)CCN[C@@H](C)[C@@H](OC)C1CC1 ZINC000388249525 711055009 /nfs/dbraw/zinc/05/50/09/711055009.db2.gz VPSIZFLMBATXGF-GXSJLCMTSA-N 0 3 249.376 0.824 20 0 BCADHN Cc1cc(N[C@H]2CC23CCOCC3)nc(N)n1 ZINC000386903423 711038019 /nfs/dbraw/zinc/03/80/19/711038019.db2.gz MEZRKEKGFIQLNP-VIFPVBQESA-N 0 3 234.303 0.600 20 0 BCADHN CCn1cc(CN2C[C@@H](C)[C@@H](O)C2)cn1 ZINC000387857723 711047758 /nfs/dbraw/zinc/04/77/58/711047758.db2.gz KTSIDWNPZKZEKD-KOLCDFICSA-N 0 3 209.293 0.716 20 0 BCADHN CCO[C@@H]1C[C@H](NC(COC)COC)[C@H]1OC ZINC000388447987 711060973 /nfs/dbraw/zinc/06/09/73/711060973.db2.gz WKIOJHLTGGFMDI-QJPTWQEYSA-N 0 3 247.335 0.430 20 0 BCADHN N=C(N)NN=Cc1ccc(Br)cn1 ZINC000388440356 711061110 /nfs/dbraw/zinc/06/11/10/711061110.db2.gz DNXOPEJRWUUYEU-UHFFFAOYSA-N 0 3 242.080 0.661 20 0 BCADHN CC(C)N1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000070878434 711065631 /nfs/dbraw/zinc/06/56/31/711065631.db2.gz OLVFBBGDJJUNTN-QWRGUYRKSA-N 0 3 226.320 0.764 20 0 BCADHN CCN1CC[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC000390001807 711102965 /nfs/dbraw/zinc/10/29/65/711102965.db2.gz QCARITLMVLYJGS-VIFPVBQESA-N 0 3 235.287 0.611 20 0 BCADHN Cc1cc(N[C@H](C)[C@H]2CCCOC2)nc(N)n1 ZINC000389245121 711074514 /nfs/dbraw/zinc/07/45/14/711074514.db2.gz ALAUZBKZGPVUIW-ZJUUUORDSA-N 0 3 236.319 0.846 20 0 BCADHN OCCOCCN1CC[C@H](C(F)(F)F)C1 ZINC000389509546 711079508 /nfs/dbraw/zinc/07/95/08/711079508.db2.gz IVZQRTKTTGGBEU-QMMMGPOBSA-N 0 3 227.226 0.880 20 0 BCADHN OCCOCCN1CC[C@@H](C(F)(F)F)C1 ZINC000389509540 711079633 /nfs/dbraw/zinc/07/96/33/711079633.db2.gz IVZQRTKTTGGBEU-MRVPVSSYSA-N 0 3 227.226 0.880 20 0 BCADHN C[C@H](C[C@@H]1COCCN1)N[C@@H](C)C(F)F ZINC000389913972 711097384 /nfs/dbraw/zinc/09/73/84/711097384.db2.gz LQGDDIVEYWXBNA-HRDYMLBCSA-N 0 3 222.279 0.997 20 0 BCADHN CN(C)CCONC(=O)c1cc(C2CC2)on1 ZINC000393338187 711157339 /nfs/dbraw/zinc/15/73/39/711157339.db2.gz UZDHEFMACXMQIP-UHFFFAOYSA-N 0 3 239.275 0.775 20 0 BCADHN COC(=O)/C(C)=C/CN1CCC[C@H](O)CC1 ZINC000393475126 711160473 /nfs/dbraw/zinc/16/04/73/711160473.db2.gz HPKFNCGOZDKPAH-UAWPZABVSA-N 0 3 227.304 0.953 20 0 BCADHN CCC[C@@H](CNCCS(C)(=O)=O)OC ZINC000393514944 711161421 /nfs/dbraw/zinc/16/14/21/711161421.db2.gz ZXKXXDRQIDHMAX-VIFPVBQESA-N 0 3 223.338 0.436 20 0 BCADHN Cc1cc(N[C@H](CO)CC(C)(C)C)nc(N)n1 ZINC000393496652 711162056 /nfs/dbraw/zinc/16/20/56/711162056.db2.gz SAALYNPZRUNMIT-VIFPVBQESA-N 0 3 238.335 0.828 20 0 BCADHN Cc1cc(NCC(C)(C)C[C@H](C)O)nc(N)n1 ZINC000393587598 711164543 /nfs/dbraw/zinc/16/45/43/711164543.db2.gz LOAOZAJMGOFLHM-VIFPVBQESA-N 0 3 238.335 0.828 20 0 BCADHN N=C(N)NN=Cc1ncc(Br)s1 ZINC000393933570 711179541 /nfs/dbraw/zinc/17/95/41/711179541.db2.gz OUPFYFVIPVOTFW-UHFFFAOYSA-N 0 3 248.109 0.723 20 0 BCADHN CCC(=O)N[C@@H]1CC[C@H](C)N(CCO)C1 ZINC001071282216 711184238 /nfs/dbraw/zinc/18/42/38/711184238.db2.gz GRZZJXGJPNDXEY-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN COCCN1C[C@@H](NC(C)=O)CC[C@@H]1C ZINC001071286512 711185023 /nfs/dbraw/zinc/18/50/23/711185023.db2.gz WGPUJXXIFWPXGQ-ONGXEEELSA-N 0 3 214.309 0.622 20 0 BCADHN CON(C)C(=O)CN[C@H]1CCOC1(C)C ZINC000397539483 711386189 /nfs/dbraw/zinc/38/61/89/711386189.db2.gz UFYWNPQCLDQKNR-QMMMGPOBSA-N 0 3 216.281 0.163 20 0 BCADHN CO[C@H]1C[C@H](NCc2cn[nH]n2)C12CCC2 ZINC000398399517 711409560 /nfs/dbraw/zinc/40/95/60/711409560.db2.gz MGMDLRPTWAJRLN-UWVGGRQHSA-N 0 3 222.292 0.852 20 0 BCADHN Cc1cc(N2C[C@H](C)C[C@H](CO)C2)nc(N)n1 ZINC000398816683 711415664 /nfs/dbraw/zinc/41/56/64/711415664.db2.gz ZVAHVGSCMCOIMG-SCZZXKLOSA-N 0 3 236.319 0.652 20 0 BCADHN COC(CN1CCCOC[C@@H]1C)OC ZINC000398987177 711417154 /nfs/dbraw/zinc/41/71/54/711417154.db2.gz DTNIZULDABKBEO-VIFPVBQESA-N 0 3 203.282 0.716 20 0 BCADHN C/C=C/C(=O)N[C@H]1CCCN(CCOC)C1 ZINC000399395287 711428324 /nfs/dbraw/zinc/42/83/24/711428324.db2.gz PPRNGBQEZLTFKU-TZNOJPMFSA-N 0 3 226.320 0.790 20 0 BCADHN C/C=C\C(=O)N[C@H]1CCCN(CCOC)C1 ZINC000399395286 711428333 /nfs/dbraw/zinc/42/83/33/711428333.db2.gz PPRNGBQEZLTFKU-MZBZXASESA-N 0 3 226.320 0.790 20 0 BCADHN C/C=C\C(=O)N[C@@H]1CCCN(CCOC)C1 ZINC000399395289 711429161 /nfs/dbraw/zinc/42/91/61/711429161.db2.gz PPRNGBQEZLTFKU-USEMIUTHSA-N 0 3 226.320 0.790 20 0 BCADHN CCCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)[C@@H]1C ZINC001074496554 711442688 /nfs/dbraw/zinc/44/26/88/711442688.db2.gz PSTSWEFCNPAFMK-UTLUCORTSA-N 0 3 241.335 0.239 20 0 BCADHN CC[C@H](C)C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001074534819 711442817 /nfs/dbraw/zinc/44/28/17/711442817.db2.gz ALFRIPXWELAXCI-GUBZILKMSA-N 0 3 241.335 0.097 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)Cc1ccc(F)cc1 ZINC000393341181 710593307 /nfs/dbraw/zinc/59/33/07/710593307.db2.gz YCDGIIFHCSRAIJ-UHFFFAOYSA-N 0 3 240.278 0.978 20 0 BCADHN CCOC[C@H](O)CNC/C=C(\C)C(=O)OC ZINC000381207303 710610006 /nfs/dbraw/zinc/61/00/06/710610006.db2.gz DAFYKTKXNAWVCO-NAZIUFLLSA-N 0 3 231.292 0.093 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2nc(C)c[nH]2)C1 ZINC001046692444 710864503 /nfs/dbraw/zinc/86/45/03/710864503.db2.gz GJDGDKAPFQVGKE-GFCCVEGCSA-N 0 3 236.319 0.932 20 0 BCADHN C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1NCCF ZINC001054428054 710934012 /nfs/dbraw/zinc/93/40/12/710934012.db2.gz FPFRYFIXKCSFDS-WPRPVWTQSA-N 0 3 240.282 0.429 20 0 BCADHN COCC[C@H](C)N1CCC2(C1)OCCO2 ZINC000396514685 711222039 /nfs/dbraw/zinc/22/20/39/711222039.db2.gz AGZJRXBUCFIYIB-JTQLQIEISA-N 0 3 215.293 0.860 20 0 BCADHN OC[C@@H]1CN(Cc2ccsc2)CC[C@H]1O ZINC000396893830 711372236 /nfs/dbraw/zinc/37/22/36/711372236.db2.gz RNBVKMDPVYGNQU-WDEREUQCSA-N 0 3 227.329 0.923 20 0 BCADHN CO[C@H](C)[C@@H](C)NCC(=O)N(C)OC ZINC000397469920 711383208 /nfs/dbraw/zinc/38/32/08/711383208.db2.gz UTSUXKZTJDNIAE-HTQZYQBOSA-N 0 3 204.270 0.019 20 0 BCADHN OC1(CCNCc2cnccn2)CCC1 ZINC000397735138 711390535 /nfs/dbraw/zinc/39/05/35/711390535.db2.gz HNGZREIMWWDRJE-UHFFFAOYSA-N 0 3 207.277 0.871 20 0 BCADHN CC[C@@H]1CN(c2ccnc(CO)c2)C[C@@H]1O ZINC000399988643 711437965 /nfs/dbraw/zinc/43/79/65/711437965.db2.gz OLUFADBBWHCBPN-SKDRFNHKSA-N 0 3 222.288 0.781 20 0 BCADHN CC[C@@H]1CN(c2ccnc(CO)c2)C[C@H]1O ZINC000399988637 711438184 /nfs/dbraw/zinc/43/81/84/711438184.db2.gz OLUFADBBWHCBPN-BXKDBHETSA-N 0 3 222.288 0.781 20 0 BCADHN CC(C)C(=O)N1CC[C@H](N[C@H](C)C(N)=O)[C@@H]1C ZINC001074531468 711443196 /nfs/dbraw/zinc/44/31/96/711443196.db2.gz RIPDDCCFTCCTNR-UTLUCORTSA-N 0 3 241.335 0.095 20 0 BCADHN CCNC(=S)N1CCN2CCC1CC2 ZINC000722817422 711475533 /nfs/dbraw/zinc/47/55/33/711475533.db2.gz DIXZAVCEERKYDY-UHFFFAOYSA-N 0 3 213.350 0.661 20 0 BCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)O ZINC000718955475 711497687 /nfs/dbraw/zinc/49/76/87/711497687.db2.gz BBMXEMMLCYJKCH-VHSXEESVSA-N 0 3 226.320 0.452 20 0 BCADHN CN1CCCN(c2nccn3cncc23)CC1 ZINC000891438813 711520397 /nfs/dbraw/zinc/52/03/97/711520397.db2.gz UIRHJJDGXUASST-UHFFFAOYSA-N 0 3 231.303 0.871 20 0 BCADHN COC[C@@H](C)NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000891466999 711531465 /nfs/dbraw/zinc/53/14/65/711531465.db2.gz AJOIBGSRDHSMAL-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN COC[C@@H](C)CC(=O)[N-]OCC[NH+](C)C ZINC000382220789 711614502 /nfs/dbraw/zinc/61/45/02/711614502.db2.gz ZJRFHCYMIQLDMR-VIFPVBQESA-N 0 3 218.297 0.268 20 0 BCADHN CCNC(=O)C(C)(C)NCCO[C@@H]1CCOC1 ZINC000724924150 711629263 /nfs/dbraw/zinc/62/92/63/711629263.db2.gz OVBVDXQSUDVIND-SNVBAGLBSA-N 0 3 244.335 0.296 20 0 BCADHN NC(=O)c1cccc(CN[C@H]2CC23CC(O)C3)c1 ZINC000724931767 711630291 /nfs/dbraw/zinc/63/02/91/711630291.db2.gz QSOFAZJHQMNNPN-LXVYMNJGSA-N 0 3 246.310 0.789 20 0 BCADHN CCc1nn(C)cc1CN[C@H]1CC12CC(O)C2 ZINC000724974665 711639774 /nfs/dbraw/zinc/63/97/74/711639774.db2.gz KMEFBGSBOBDDPZ-YDGIUTOCSA-N 0 3 235.331 0.986 20 0 BCADHN Cc1cc(N2CCC[C@@H](O)CC2)nc(N)n1 ZINC000382409362 711657726 /nfs/dbraw/zinc/65/77/26/711657726.db2.gz TUIJOZNNFPWJCS-SECBINFHSA-N 0 3 222.292 0.549 20 0 BCADHN COC[C@@H](C)NC(=S)N1CCCN(C)CC1 ZINC000135746216 711660140 /nfs/dbraw/zinc/66/01/40/711660140.db2.gz UEIXMMQVGGGRCG-SNVBAGLBSA-N 0 3 245.392 0.533 20 0 BCADHN CON(C)C(=O)CNCC1(OC)CCCC1 ZINC000397547681 711671537 /nfs/dbraw/zinc/67/15/37/711671537.db2.gz PFKWDWXOEZPSBM-UHFFFAOYSA-N 0 3 230.308 0.555 20 0 BCADHN CC(C)=CC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075516102 711680928 /nfs/dbraw/zinc/68/09/28/711680928.db2.gz SEDANWXJXDJSIQ-NWDGAFQWSA-N 0 3 238.331 0.478 20 0 BCADHN CC[C@@H](C)NC(=O)CNC(C)(C)CC(=O)OC ZINC000178334978 711696370 /nfs/dbraw/zinc/69/63/70/711696370.db2.gz WMIXZZJKUTXLLO-SECBINFHSA-N 0 3 244.335 0.832 20 0 BCADHN C[C@@H](NCc1cnnn1C)[C@@H]1CCCCO1 ZINC000309771488 711701029 /nfs/dbraw/zinc/70/10/29/711701029.db2.gz KPKBNSQXMCHTOP-KOLCDFICSA-N 0 3 224.308 0.862 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H](C)[C@H](C)O ZINC000308591576 711726427 /nfs/dbraw/zinc/72/64/27/711726427.db2.gz KPQZWTMMTLIJLH-YIZRAAEISA-N 0 3 223.338 0.169 20 0 BCADHN CCN(CC)C(=O)CNC(=O)[C@@H](N)C1CCC1 ZINC000398998850 711742728 /nfs/dbraw/zinc/74/27/28/711742728.db2.gz BKNVAMGEXGEHTI-NSHDSACASA-N 0 3 241.335 0.098 20 0 BCADHN CCN1C[C@@H]2CCN(C(=O)c3cncnc3)[C@@H]2C1 ZINC001075716715 711767900 /nfs/dbraw/zinc/76/79/00/711767900.db2.gz RJYZCCIWZQFUOU-CMPLNLGQSA-N 0 3 246.314 0.643 20 0 BCADHN COCC1(NC[C@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000894351474 711769229 /nfs/dbraw/zinc/76/92/29/711769229.db2.gz FJMPLBKDCLVBEY-YUMQZZPRSA-N 0 3 249.257 0.809 20 0 BCADHN CC(=O)OC(C)(C)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928438063 711772393 /nfs/dbraw/zinc/77/23/93/711772393.db2.gz MCRYZCBCBFEXLH-WCBMZHEXSA-N 0 3 242.319 0.537 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2ccn(C)n2)CCN1C ZINC000928448375 711772595 /nfs/dbraw/zinc/77/25/95/711772595.db2.gz NWNDOEDVIAQULJ-DTWKUNHWSA-N 0 3 222.292 0.243 20 0 BCADHN CCc1ncncc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928450900 711773038 /nfs/dbraw/zinc/77/30/38/711773038.db2.gz FEUXFNYEAVQGCE-JOYOIKCWSA-N 0 3 248.330 0.861 20 0 BCADHN CC(C)n1cncc1CNC[C@H]1COCO1 ZINC000894884683 711774279 /nfs/dbraw/zinc/77/42/79/711774279.db2.gz INOTVPZFKLAEKQ-NSHDSACASA-N 0 3 225.292 0.927 20 0 BCADHN CC(C)(O)[C@H]1CCN(CC(=O)N2CCCC2)C1 ZINC000721833507 711778237 /nfs/dbraw/zinc/77/82/37/711778237.db2.gz NRIURAAMWGPMBJ-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN COC[C@H](C)CN[C@@H](C)C1N=NC(=O)N1C ZINC000895175515 711779524 /nfs/dbraw/zinc/77/95/24/711779524.db2.gz MTZOYVSPYXRDQU-SFYZADRCSA-N 0 3 228.296 0.454 20 0 BCADHN COC[C@H](C)CN[C@H](C)C1N=NC(=O)N1C ZINC000895175511 711779580 /nfs/dbraw/zinc/77/95/80/711779580.db2.gz MTZOYVSPYXRDQU-HTQZYQBOSA-N 0 3 228.296 0.454 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N(c2ccccc2)C1=O ZINC000143123327 711783131 /nfs/dbraw/zinc/78/31/31/711783131.db2.gz XUJVHQLKPOJMJZ-JTQLQIEISA-N 0 3 233.271 0.673 20 0 BCADHN CC[C@H](C(=O)NCC1(C)OCCO1)N(C)C ZINC000179210385 711796319 /nfs/dbraw/zinc/79/63/19/711796319.db2.gz JYJTVVTWTWOWQM-SECBINFHSA-N 0 3 230.308 0.206 20 0 BCADHN COC(=O)/C(C)=C\CN1CC[C@@](C)(O)C1 ZINC000379660021 711806640 /nfs/dbraw/zinc/80/66/40/711806640.db2.gz MADOEMIMUSMSGE-KSHIFHCESA-N 0 3 213.277 0.562 20 0 BCADHN CC(=O)N[C@@H]1CN([C@H](C)c2ccccc2)C[C@H]1O ZINC001076657109 711806798 /nfs/dbraw/zinc/80/67/98/711806798.db2.gz WTHFNAASRKHNLK-LERXQTSPSA-N 0 3 248.326 0.929 20 0 BCADHN CCCN1C[C@@H](O)[C@H](NC(=O)C2CCCC2)C1 ZINC001076666372 711807827 /nfs/dbraw/zinc/80/78/27/711807827.db2.gz VBIWKXMZNSZLFY-VXGBXAGGSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2)C1 ZINC001076688968 711808172 /nfs/dbraw/zinc/80/81/72/711808172.db2.gz NNCVJYZCJYXOBL-CHWSQXEVSA-N 0 3 248.326 0.870 20 0 BCADHN CC[S@@](=O)CCNCc1ccn(C)c1 ZINC000160683776 711809491 /nfs/dbraw/zinc/80/94/91/711809491.db2.gz HNNNQHNYGVTXQA-AWEZNQCLSA-N 0 3 214.334 0.883 20 0 BCADHN CCOC1CC(NCCS(C)(=O)=O)C1 ZINC000162848240 711810040 /nfs/dbraw/zinc/81/00/40/711810040.db2.gz GUSDUOYCNMYOAU-UHFFFAOYSA-N 0 3 221.322 0.188 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(c2cc(C)nc(N)n2)C1 ZINC000228058055 711833402 /nfs/dbraw/zinc/83/34/02/711833402.db2.gz QNOLTDPBZRQTIL-LBPRGKRZSA-N 0 3 249.318 0.330 20 0 BCADHN CCN(C)C(=O)CNc1cc(C)nc(N)n1 ZINC000229572211 711838251 /nfs/dbraw/zinc/83/82/51/711838251.db2.gz IPUDINJYZNOBAI-UHFFFAOYSA-N 0 3 223.280 0.257 20 0 BCADHN CO[C@H]([C@H](C)NCCS(C)(=O)=O)C1CC1 ZINC000388266279 711859848 /nfs/dbraw/zinc/85/98/48/711859848.db2.gz FMOZDAGLXIGVFG-WCBMZHEXSA-N 0 3 235.349 0.434 20 0 BCADHN CO[C@@H]([C@H](C)NCCS(C)(=O)=O)C1CC1 ZINC000388266281 711859863 /nfs/dbraw/zinc/85/98/63/711859863.db2.gz FMOZDAGLXIGVFG-WPRPVWTQSA-N 0 3 235.349 0.434 20 0 BCADHN CC[C@H](CO)NCC(=O)Nc1c(C)n[nH]c1C ZINC000916572109 711873184 /nfs/dbraw/zinc/87/31/84/711873184.db2.gz VDUDQFFFFYGECZ-SECBINFHSA-N 0 3 240.307 0.326 20 0 BCADHN O[C@]1(CNCc2ccc(Cl)cn2)CCOC1 ZINC000703855861 711877391 /nfs/dbraw/zinc/87/73/91/711877391.db2.gz MSVUQJKAXSRKMT-NSHDSACASA-N 0 3 242.706 0.976 20 0 BCADHN CCCN1CC(CNC(=O)c2cncnc2)C1 ZINC001031629098 711880212 /nfs/dbraw/zinc/88/02/12/711880212.db2.gz KALFOOSFWOGKBW-UHFFFAOYSA-N 0 3 234.303 0.548 20 0 BCADHN Cc1cc(NC[C@@H]2CCC[C@H]2O)nc(N)n1 ZINC000085485980 711935524 /nfs/dbraw/zinc/93/55/24/711935524.db2.gz JPRQSBBQNBKDMX-DTWKUNHWSA-N 0 3 222.292 0.940 20 0 BCADHN CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C1 ZINC001078052558 711939554 /nfs/dbraw/zinc/93/95/54/711939554.db2.gz MYLOJBTWYNDCFN-NXEZZACHSA-N 0 3 228.336 0.604 20 0 BCADHN CO[C@H](C)CN1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001032829381 711953429 /nfs/dbraw/zinc/95/34/29/711953429.db2.gz MCUPGOFMOXIODK-USZNOCQGSA-N 0 3 240.347 0.868 20 0 BCADHN CO[C@@H](C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001032828734 711953635 /nfs/dbraw/zinc/95/36/35/711953635.db2.gz MCUPGOFMOXIODK-NOOOWODRSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001032839339 711958584 /nfs/dbraw/zinc/95/85/84/711958584.db2.gz WGPZBQWYVBMOEE-MMWGEVLESA-N 0 3 226.320 0.214 20 0 BCADHN C[C@@H](O)CN1CC[C@@H](N(C)C(=O)C(C)(C)F)C1 ZINC001032860772 711964893 /nfs/dbraw/zinc/96/48/93/711964893.db2.gz HBXTZYTWSSOJJS-NXEZZACHSA-N 0 3 246.326 0.648 20 0 BCADHN CN(C(=O)C1CCCC1)[C@@H]1CCN(CCO)C1 ZINC001032867965 711965350 /nfs/dbraw/zinc/96/53/50/711965350.db2.gz QLVOMPRNIVIQFP-GFCCVEGCSA-N 0 3 240.347 0.702 20 0 BCADHN CN(C(=O)c1ccc[nH]1)[C@@H]1CCN(CCO)C1 ZINC001032913806 711967735 /nfs/dbraw/zinc/96/77/35/711967735.db2.gz MZIPAQTYLUDNAC-SNVBAGLBSA-N 0 3 237.303 0.153 20 0 BCADHN CN(CCSC(F)(F)F)[C@@H]1COC[C@H]1O ZINC000708736152 711970359 /nfs/dbraw/zinc/97/03/59/711970359.db2.gz PPJAAAWXDSZVAQ-RNFRBKRXSA-N 0 3 245.266 0.931 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2nccc(C)n2)C1 ZINC001033052073 711972772 /nfs/dbraw/zinc/97/27/72/711972772.db2.gz MWPQCQRRQIVFDD-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001033071902 711974368 /nfs/dbraw/zinc/97/43/68/711974368.db2.gz OFMYDEGOILWUFQ-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)C2(C)CC2)C1 ZINC001033112119 711976774 /nfs/dbraw/zinc/97/67/74/711976774.db2.gz QNKRLGCSQNJERG-MNOVXSKESA-N 0 3 240.347 0.700 20 0 BCADHN Cc1c[nH]c(CNCC2CC3(C2)OCCO3)n1 ZINC000922797721 711976827 /nfs/dbraw/zinc/97/68/27/711976827.db2.gz KHZSXMUZPUEDCG-UHFFFAOYSA-N 0 3 237.303 0.961 20 0 BCADHN COc1cncc(CNCCNC(=O)C2CC2)c1 ZINC000700055664 711984794 /nfs/dbraw/zinc/98/47/94/711984794.db2.gz HDJCOTMLJCULGW-UHFFFAOYSA-N 0 3 249.314 0.706 20 0 BCADHN COc1cncc(CN[C@@H](C)C[S@](C)=O)c1 ZINC000700045976 711984810 /nfs/dbraw/zinc/98/48/10/711984810.db2.gz CBDZBCOJBVIYQO-FVMDXXJSSA-N 0 3 242.344 0.947 20 0 BCADHN COc1cncc(CNCCN2CCCC2=O)c1 ZINC000700101871 711986173 /nfs/dbraw/zinc/98/61/73/711986173.db2.gz ZYJIFZHVJPFUEZ-UHFFFAOYSA-N 0 3 249.314 0.802 20 0 BCADHN Cc1cc(CNC[C@H]2COCCN2C)n(C)n1 ZINC000700155463 711986992 /nfs/dbraw/zinc/98/69/92/711986992.db2.gz KASMFPUFGDMTCA-LBPRGKRZSA-N 0 3 238.335 0.149 20 0 BCADHN CCCN1CC[C@@H](N(C)C(=O)c2cnon2)C1 ZINC001033527907 712000597 /nfs/dbraw/zinc/00/05/97/712000597.db2.gz RVKOUDNZLSFLLV-SECBINFHSA-N 0 3 238.291 0.626 20 0 BCADHN CN(CCO)CCN(C)C(=O)CCC1CC1 ZINC000701192753 712017803 /nfs/dbraw/zinc/01/78/03/712017803.db2.gz LKIVWLLMTBIARH-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN CN(CCO)CCN(C)C(=O)C1CC(C)(C)C1 ZINC000701500705 712024789 /nfs/dbraw/zinc/02/47/89/712024789.db2.gz LIMUDRZKRINQMS-UHFFFAOYSA-N 0 3 242.363 0.805 20 0 BCADHN CN1CCN(CCC2OCCCO2)CCC1=O ZINC000701499614 712025268 /nfs/dbraw/zinc/02/52/68/712025268.db2.gz DSDGPLOHUDAIQK-UHFFFAOYSA-N 0 3 242.319 0.304 20 0 BCADHN C[C@H](NCCS(C)(=O)=O)C1(Cl)CC1 ZINC000702258243 712042255 /nfs/dbraw/zinc/04/22/55/712042255.db2.gz LIOOPYICGDEHMY-ZETCQYMHSA-N 0 3 225.741 0.781 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000702348834 712045509 /nfs/dbraw/zinc/04/55/09/712045509.db2.gz FDVAHUGFPLAAQB-MMWGEVLESA-N 0 3 225.336 0.180 20 0 BCADHN C[C@H](C[C@@H]1COCCN1)NCc1ncccn1 ZINC000702323200 712046899 /nfs/dbraw/zinc/04/68/99/712046899.db2.gz HJIUCDKDEJGCQV-GHMZBOCLSA-N 0 3 236.319 0.333 20 0 BCADHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](N)CN(C)C ZINC000702340314 712047711 /nfs/dbraw/zinc/04/77/11/712047711.db2.gz JEGSCXHRSDYHQM-WOPDTQHZSA-N 0 3 241.379 0.912 20 0 BCADHN C[C@@H]1CCC[C@@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000702338015 712047865 /nfs/dbraw/zinc/04/78/65/712047865.db2.gz AEALYEKTUOMVOZ-UTUOFQBUSA-N 0 3 241.379 0.818 20 0 BCADHN CC1CCC(CNC(=O)[C@@H](N)CN(C)C)CC1 ZINC000702340217 712048004 /nfs/dbraw/zinc/04/80/04/712048004.db2.gz HWNSPDVQLPSJDJ-MCIGGMRASA-N 0 3 241.379 0.818 20 0 BCADHN CCC[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702367368 712048771 /nfs/dbraw/zinc/04/87/71/712048771.db2.gz FCWUCRRKUKRTPD-IUCAKERBSA-N 0 3 201.314 0.180 20 0 BCADHN CC(C)CCNC(=O)[C@@H](N)CN(C)C ZINC000702371456 712049118 /nfs/dbraw/zinc/04/91/18/712049118.db2.gz RZVIYGBSTNDEIH-VIFPVBQESA-N 0 3 201.314 0.038 20 0 BCADHN Cc1cc(NC(=O)[C@@H](N)CN(C)C)ccc1F ZINC000702375411 712049641 /nfs/dbraw/zinc/04/96/41/712049641.db2.gz LZQVEVWZMRIPMN-NSHDSACASA-N 0 3 239.294 0.962 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC2(CCCC2)C1 ZINC000702388556 712049926 /nfs/dbraw/zinc/04/99/26/712049926.db2.gz ZMFCEIFALRRCHO-NSHDSACASA-N 0 3 239.363 0.668 20 0 BCADHN CSC1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000702395665 712049965 /nfs/dbraw/zinc/04/99/65/712049965.db2.gz WWUAVTBGMRNEGR-JTQLQIEISA-N 0 3 245.392 0.229 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000702386625 712050070 /nfs/dbraw/zinc/05/00/70/712050070.db2.gz QKRALFQDELLNMQ-SDDRHHMPSA-N 0 3 239.363 0.666 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702399959 712050327 /nfs/dbraw/zinc/05/03/27/712050327.db2.gz DHDMNRUBDSGVGL-GUBZILKMSA-N 0 3 215.341 0.426 20 0 BCADHN CCC[C@H](C)N(C)C(=O)[C@@H](N)CN(C)C ZINC000702403954 712050713 /nfs/dbraw/zinc/05/07/13/712050713.db2.gz YBZFGKJODUCZNW-UWVGGRQHSA-N 0 3 215.341 0.522 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)CN(C)C)c1ccccn1 ZINC000702402556 712050999 /nfs/dbraw/zinc/05/09/99/712050999.db2.gz STSIHKYDRXPJHZ-ZJUUUORDSA-N 0 3 236.319 0.148 20 0 BCADHN Cc1ccsc1CNC(=O)[C@@H](N)CN(C)C ZINC000702414306 712051665 /nfs/dbraw/zinc/05/16/65/712051665.db2.gz LRBUTVMEQGCAOY-VIFPVBQESA-N 0 3 241.360 0.562 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)Cc1ccco1 ZINC000702410693 712051907 /nfs/dbraw/zinc/05/19/07/712051907.db2.gz UUNYRNBSPGTHEV-JTQLQIEISA-N 0 3 225.292 0.127 20 0 BCADHN CC(C)C[C@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702425845 712052505 /nfs/dbraw/zinc/05/25/05/712052505.db2.gz BFKBZERNSNUUHJ-NEPJUHHUSA-N 0 3 241.379 0.770 20 0 BCADHN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CN(C)C ZINC000702426598 712052577 /nfs/dbraw/zinc/05/25/77/712052577.db2.gz DSCLWIYUMIPIQA-PWSUYJOCSA-N 0 3 247.342 0.853 20 0 BCADHN OCc1cc(N2CC3(C2)CCCO3)ccn1 ZINC000702869231 712061355 /nfs/dbraw/zinc/06/13/55/712061355.db2.gz RPAHGAADGQXDAZ-UHFFFAOYSA-N 0 3 220.272 0.943 20 0 BCADHN CC(C)(C)C(=O)N[C@@H]1CCCCN(CCO)C1 ZINC001034494641 712065785 /nfs/dbraw/zinc/06/57/85/712065785.db2.gz BMANNDFJGGMICF-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN CCN(CCC(N)=O)Cc1cnn(CC)c1 ZINC000703541705 712078771 /nfs/dbraw/zinc/07/87/71/712078771.db2.gz OVNOTJRPCJARHM-UHFFFAOYSA-N 0 3 224.308 0.600 20 0 BCADHN COCCCN(C)Cc1ccc(N)nn1 ZINC000703953209 712092361 /nfs/dbraw/zinc/09/23/61/712092361.db2.gz IBDIVMCACORLFO-UHFFFAOYSA-N 0 3 210.281 0.527 20 0 BCADHN CC(=O)N1CCC[C@@H]1CNCc1cnc(C)nc1 ZINC001034834731 712092607 /nfs/dbraw/zinc/09/26/07/712092607.db2.gz OMPBKZZWQWSKBQ-CYBMUJFWSA-N 0 3 248.330 0.886 20 0 BCADHN C[C@H]1CCN(Cc2ccc(N)nn2)[C@H]1CO ZINC000703917376 712093932 /nfs/dbraw/zinc/09/39/32/712093932.db2.gz QAUHJVWSIDPRPI-WPRPVWTQSA-N 0 3 222.292 0.262 20 0 BCADHN C[C@H]1CCN(Cc2ccc(N)nn2)[C@@H]1CO ZINC000703917373 712094039 /nfs/dbraw/zinc/09/40/39/712094039.db2.gz QAUHJVWSIDPRPI-WCBMZHEXSA-N 0 3 222.292 0.262 20 0 BCADHN C[C@@H]1CCN(Cc2ccc(N)nn2)[C@H]1CO ZINC000703917369 712094360 /nfs/dbraw/zinc/09/43/60/712094360.db2.gz QAUHJVWSIDPRPI-SCZZXKLOSA-N 0 3 222.292 0.262 20 0 BCADHN CC(=O)N1CCC[C@@H]1CNCc1n[nH]c(C)n1 ZINC001034833929 712095644 /nfs/dbraw/zinc/09/56/44/712095644.db2.gz BBZQBPGGLIACCM-SNVBAGLBSA-N 0 3 237.307 0.214 20 0 BCADHN Nc1ccc(CN2CCN3CCCC[C@H]3C2)nn1 ZINC000703962643 712096648 /nfs/dbraw/zinc/09/66/48/712096648.db2.gz UCFUOQUUYLBDMY-LBPRGKRZSA-N 0 3 247.346 0.729 20 0 BCADHN CCCCN(CCO)Cc1ccc(N)nn1 ZINC000703973820 712096897 /nfs/dbraw/zinc/09/68/97/712096897.db2.gz CMRCPKYBTDVBCW-UHFFFAOYSA-N 0 3 224.308 0.653 20 0 BCADHN CNC(=O)C[C@@H](C)NCc1cncc(OC)c1 ZINC000704205236 712101315 /nfs/dbraw/zinc/10/13/15/712101315.db2.gz QCHURANRCFPTQU-SECBINFHSA-N 0 3 237.303 0.704 20 0 BCADHN CNC(=O)CCNCc1cncc(OC)c1 ZINC000704216587 712101353 /nfs/dbraw/zinc/10/13/53/712101353.db2.gz GBIREGQFJABZFL-UHFFFAOYSA-N 0 3 223.276 0.316 20 0 BCADHN Cc1cc(N[C@H]2CCCN(C)C2=O)nc(N)n1 ZINC000704325161 712104452 /nfs/dbraw/zinc/10/44/52/712104452.db2.gz FREQZRFUQUHUQY-QMMMGPOBSA-N 0 3 235.291 0.400 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCOC[C@@H]1C ZINC000704513306 712111539 /nfs/dbraw/zinc/11/15/39/712111539.db2.gz DNXVDICXANODSB-QWRGUYRKSA-N 0 3 228.336 0.997 20 0 BCADHN CCC[C@H](CC)NC(=O)[C@@H](N)CN(C)C ZINC000705395033 712129985 /nfs/dbraw/zinc/12/99/85/712129985.db2.gz UHHFDAUXCLYWDC-UWVGGRQHSA-N 0 3 215.341 0.570 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC2(CCC2)C1 ZINC000705393928 712130338 /nfs/dbraw/zinc/13/03/38/712130338.db2.gz MOKSUHKVOORQCP-JTQLQIEISA-N 0 3 225.336 0.278 20 0 BCADHN Cc1ncccc1CNCCN1CCNC1=O ZINC000705528660 712132923 /nfs/dbraw/zinc/13/29/23/712132923.db2.gz XBTDPWBQXLUURY-UHFFFAOYSA-N 0 3 234.303 0.505 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cc(C)cc(O)c1 ZINC000705578833 712133597 /nfs/dbraw/zinc/13/35/97/712133597.db2.gz BGMZMKPFBGSBRO-JTQLQIEISA-N 0 3 224.260 0.613 20 0 BCADHN C[N@H+]1C[C@H]2CN(c3cc(=O)[n-]cn3)C[C@H]2C1 ZINC000706299055 712144514 /nfs/dbraw/zinc/14/45/14/712144514.db2.gz HVXPBNQDNLHZNA-DTORHVGOSA-N 0 3 220.276 0.180 20 0 BCADHN C[N@@H+]1C[C@H]2CN(c3cc(=O)[n-]cn3)C[C@H]2C1 ZINC000706299055 712144516 /nfs/dbraw/zinc/14/45/16/712144516.db2.gz HVXPBNQDNLHZNA-DTORHVGOSA-N 0 3 220.276 0.180 20 0 BCADHN CO[C@@H](CN)C(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000706445230 712145055 /nfs/dbraw/zinc/14/50/55/712145055.db2.gz SRFQEDKJRNALTM-NHCYSSNCSA-N 0 3 226.320 0.751 20 0 BCADHN CCN(C(=O)[C@@H](N)CCOC)C1CCC1 ZINC000706879382 712157690 /nfs/dbraw/zinc/15/76/90/712157690.db2.gz SLYDMVGRNGIBLB-JTQLQIEISA-N 0 3 214.309 0.751 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H]1CCCC12CC2 ZINC000707022553 712164075 /nfs/dbraw/zinc/16/40/75/712164075.db2.gz NKIFTSPEAUROMS-VHSXEESVSA-N 0 3 226.320 0.799 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000707239959 712167105 /nfs/dbraw/zinc/16/71/05/712167105.db2.gz KFHRBMXVXWWGAY-DGCLKSJQSA-N 0 3 238.331 0.753 20 0 BCADHN C[C@@H]1COC[C@H]1N[C@H]1CCN(C2CCC2)C1=O ZINC000708660823 712196051 /nfs/dbraw/zinc/19/60/51/712196051.db2.gz TUQIWPBTQWTEPY-ADEWGFFLSA-N 0 3 238.331 0.764 20 0 BCADHN CCN1C[C@H](CN(CCO)C2CC2)OC1=O ZINC000709772752 712221502 /nfs/dbraw/zinc/22/15/02/712221502.db2.gz LQVQTCNWAQPTRH-SNVBAGLBSA-N 0 3 228.292 0.284 20 0 BCADHN COCCN(C)CCN[C@H](C)c1cn(C)cn1 ZINC000709922936 712233309 /nfs/dbraw/zinc/23/33/09/712233309.db2.gz YDQLDJHTFVCWSE-LLVKDONJSA-N 0 3 240.351 0.649 20 0 BCADHN C[C@@H](CC1CCC1)NS(=O)(=O)C1CNC1 ZINC000710305342 712250829 /nfs/dbraw/zinc/25/08/29/712250829.db2.gz QBUJDTSXJKHXHZ-QMMMGPOBSA-N 0 3 232.349 0.456 20 0 BCADHN Cc1nn(C)cc1CN[C@@H]1COC[C@H]1C ZINC000710880542 712260651 /nfs/dbraw/zinc/26/06/51/712260651.db2.gz DSLINWZDAJYFBQ-LDYMZIIASA-N 0 3 209.293 0.853 20 0 BCADHN O[C@@H]1CCOC[C@H]1N[C@H]1CCCc2n[nH]cc21 ZINC000710916869 712263271 /nfs/dbraw/zinc/26/32/71/712263271.db2.gz TUFJGJAFEWMQGI-MVWJERBFSA-N 0 3 237.303 0.527 20 0 BCADHN COC1(OC)CC[C@H]1NCCc1ccn(C)n1 ZINC000710954822 712267891 /nfs/dbraw/zinc/26/78/91/712267891.db2.gz QMJKSVAYEZNVDM-LLVKDONJSA-N 0 3 239.319 0.704 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@H]1CCC(=O)N(C)C1 ZINC000710966233 712269817 /nfs/dbraw/zinc/26/98/17/712269817.db2.gz ZKWBTEVICUBKII-UWVGGRQHSA-N 0 3 242.319 0.348 20 0 BCADHN COC1(OC)CC[C@@H]1NCCNC(=O)C1CC1 ZINC000710965324 712269885 /nfs/dbraw/zinc/26/98/85/712269885.db2.gz YHEMFZIVQRNTEK-JTQLQIEISA-N 0 3 242.319 0.254 20 0 BCADHN CC(=O)N1CCC(NCc2cnc(C)cn2)CC1 ZINC000061320504 712284475 /nfs/dbraw/zinc/28/44/75/712284475.db2.gz AWCXXEHIZMXFAT-UHFFFAOYSA-N 0 3 248.330 0.886 20 0 BCADHN NC1(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)CC1 ZINC000382900232 712343844 /nfs/dbraw/zinc/34/38/44/712343844.db2.gz XERYSDSDFZUZQL-AOOOYVTPSA-N 0 3 206.289 0.902 20 0 BCADHN COCCN1C[C@@H](C)[C@H](NC(=O)CC2CC2)C1 ZINC001079345229 712348021 /nfs/dbraw/zinc/34/80/21/712348021.db2.gz DFNHCBSKIYNMQS-ZYHUDNBSSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1ccc[nH]1 ZINC001079416967 712348412 /nfs/dbraw/zinc/34/84/12/712348412.db2.gz AWZBEDSRPHMBLH-MWLCHTKSSA-N 0 3 237.303 0.057 20 0 BCADHN CC(C)C(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001079432233 712349252 /nfs/dbraw/zinc/34/92/52/712349252.db2.gz AOTLPKHNSVMXQH-NXEZZACHSA-N 0 3 214.309 0.071 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CC1(F)F ZINC001079662656 712350159 /nfs/dbraw/zinc/35/01/59/712350159.db2.gz ZQDXRZDOQFVEGX-HRDYMLBCSA-N 0 3 248.273 0.070 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001080473967 712353235 /nfs/dbraw/zinc/35/32/35/712353235.db2.gz GWUOPYGMGZUABB-DDHJBXDOSA-N 0 3 240.347 0.461 20 0 BCADHN CO[C@H](CNCCS(C)(=O)=O)C1CC1 ZINC000378747974 712358976 /nfs/dbraw/zinc/35/89/76/712358976.db2.gz MUKNTPDVTGAJPN-SECBINFHSA-N 0 3 221.322 0.046 20 0 BCADHN Cc1ccc(C(=O)NOCCN(C)C)c(C)n1 ZINC000379060357 712368455 /nfs/dbraw/zinc/36/84/55/712368455.db2.gz QSIFCFIIYZSKPI-UHFFFAOYSA-N 0 3 237.303 0.921 20 0 BCADHN CN(C)CCONC(=O)c1cccc(F)n1 ZINC000379142768 712370294 /nfs/dbraw/zinc/37/02/94/712370294.db2.gz GFWMJUSSSCAICH-UHFFFAOYSA-N 0 3 227.239 0.444 20 0 BCADHN C[C@H]1COCC[C@H]1C(=O)NOCCN(C)C ZINC000379195883 712371247 /nfs/dbraw/zinc/37/12/47/712371247.db2.gz XBPOEGSYXUJSSN-VHSXEESVSA-N 0 3 230.308 0.268 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@H](O)c1ccccc1 ZINC000379449854 712385131 /nfs/dbraw/zinc/38/51/31/712385131.db2.gz BAHVSZWYIDAMFS-DMDPSCGWSA-N 0 3 248.326 0.929 20 0 BCADHN COCC(C)(C)N(C)CC(OC)OC ZINC000379598476 712389624 /nfs/dbraw/zinc/38/96/24/712389624.db2.gz HMXGIKWTUHVVMA-UHFFFAOYSA-N 0 3 205.298 0.962 20 0 BCADHN Cn1cc(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)cn1 ZINC000724652963 712392644 /nfs/dbraw/zinc/39/26/44/712392644.db2.gz KVYSMIGQEUNZRK-WOPDTQHZSA-N 0 3 237.303 0.314 20 0 BCADHN COC(=O)c1coc(CNC[C@@H]2CCN2C)c1 ZINC000712596092 712435862 /nfs/dbraw/zinc/43/58/62/712435862.db2.gz SQKVFNFEDSOZAS-JTQLQIEISA-N 0 3 238.287 0.860 20 0 BCADHN C[C@H](NC[C@H]1CCN1C)c1cnccn1 ZINC000712604473 712436582 /nfs/dbraw/zinc/43/65/82/712436582.db2.gz CWOOXNZSNSLUMI-VHSXEESVSA-N 0 3 206.293 0.831 20 0 BCADHN C[C@@H](NC[C@@H]1CCN1C)c1cnccn1 ZINC000712604476 712436688 /nfs/dbraw/zinc/43/66/88/712436688.db2.gz CWOOXNZSNSLUMI-ZJUUUORDSA-N 0 3 206.293 0.831 20 0 BCADHN O=S(=O)(N[C@@H]1C[C@@H]2CCCC[C@H]12)C1CNC1 ZINC000712610833 712437679 /nfs/dbraw/zinc/43/76/79/712437679.db2.gz KDHLUPCEKCYZJL-INTQDDNPSA-N 0 3 244.360 0.456 20 0 BCADHN CCN1CC[C@@H]1CNCc1nc(C)c[nH]1 ZINC000712530544 712441318 /nfs/dbraw/zinc/44/13/18/712441318.db2.gz OSOPKROMRXBVRK-SNVBAGLBSA-N 0 3 208.309 0.902 20 0 BCADHN COc1cc(CNC[C@@H]2CCN2C)sn1 ZINC000712571186 712447733 /nfs/dbraw/zinc/44/77/33/712447733.db2.gz VIKNFWLXHNNJDK-QMMMGPOBSA-N 0 3 227.333 0.945 20 0 BCADHN C=C/C=C/CCN1CCN(C)[C@H](CO)C1 ZINC000713644855 712468210 /nfs/dbraw/zinc/46/82/10/712468210.db2.gz LOOJLKORNSWTJW-ITKZLYELSA-N 0 3 210.321 0.727 20 0 BCADHN C=C/C=C\CCN1CCN(CCO)CC1 ZINC000713756661 712471838 /nfs/dbraw/zinc/47/18/38/712471838.db2.gz VYENUBLCHHHGGE-ARJAWSKDSA-N 0 3 210.321 0.729 20 0 BCADHN CCCn1cc(CNC[C@H]2CCOC2)nn1 ZINC000714476069 712491142 /nfs/dbraw/zinc/49/11/42/712491142.db2.gz IFXDPPVMQHUPGM-SNVBAGLBSA-N 0 3 224.308 0.814 20 0 BCADHN CCn1cc(CNCCN2CCCCC2)nn1 ZINC000714927786 712500560 /nfs/dbraw/zinc/50/05/60/712500560.db2.gz KPZINGUSCXQJTJ-UHFFFAOYSA-N 0 3 237.351 0.874 20 0 BCADHN CCn1cc(CNCCC2CC(O)C2)nn1 ZINC000714878402 712502287 /nfs/dbraw/zinc/50/22/87/712502287.db2.gz GBKMEXZNSBFPQE-UHFFFAOYSA-N 0 3 224.308 0.549 20 0 BCADHN CCCn1cc([C@H](C)NCCN(C)C)nn1 ZINC000715857384 712537610 /nfs/dbraw/zinc/53/76/10/712537610.db2.gz CVFFIJMXGADUQC-JTQLQIEISA-N 0 3 225.340 0.900 20 0 BCADHN C[C@@H](N[C@@H]1CCCN(C)C1)c1cn(C)nn1 ZINC000715905777 712541806 /nfs/dbraw/zinc/54/18/06/712541806.db2.gz COQHIBUINNTRNK-NXEZZACHSA-N 0 3 223.324 0.560 20 0 BCADHN C[C@@H](CCCO)CN[C@@H](C)c1cn(C)nn1 ZINC000715931782 712543619 /nfs/dbraw/zinc/54/36/19/712543619.db2.gz BXARUHRODQJJPG-UWVGGRQHSA-N 0 3 226.324 0.874 20 0 BCADHN CC(C)(O)C1CCN([C@@H]2CCCNC2=O)CC1 ZINC000716399611 712558594 /nfs/dbraw/zinc/55/85/94/712558594.db2.gz SGHGGLFONCGZMS-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN CCCCSCC(=O)N[C@@H](CO)CN(C)C ZINC000716679778 712569494 /nfs/dbraw/zinc/56/94/94/712569494.db2.gz RXBXDKTYUTUAGL-SNVBAGLBSA-N 0 3 248.392 0.558 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)C1(C(F)F)CC1 ZINC000716679761 712569511 /nfs/dbraw/zinc/56/95/11/712569511.db2.gz RNWQHALQCYPZDK-ZETCQYMHSA-N 0 3 236.262 0.070 20 0 BCADHN O[C@@H](CCNCc1c[nH]cn1)C(F)F ZINC000716750578 712572475 /nfs/dbraw/zinc/57/24/75/712572475.db2.gz SPBBFAAGGBFLAA-ZETCQYMHSA-N 0 3 205.208 0.515 20 0 BCADHN CC(C)N(C)C(=O)CNC[C@@H]1CCCO1 ZINC000020055700 712626640 /nfs/dbraw/zinc/62/66/40/712626640.db2.gz JWSAXHQOEULMOQ-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN CO[C@H](C)CC(=O)N1CCNC(C)(C)C1 ZINC000379918040 712626768 /nfs/dbraw/zinc/62/67/68/712626768.db2.gz FAWSGUPJCTVNQP-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN COc1ncccc1CN[C@@H](C)CCO ZINC000132945404 712639528 /nfs/dbraw/zinc/63/95/28/712639528.db2.gz SIYQOKNYJMNNQP-VIFPVBQESA-N 0 3 210.277 0.951 20 0 BCADHN CC(C)n1cncc1CNC[C@H](O)[C@@H](C)O ZINC000717306066 712646062 /nfs/dbraw/zinc/64/60/62/712646062.db2.gz HZEDJIMSVBYSEI-KOLCDFICSA-N 0 3 227.308 0.295 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cnn2ccccc12 ZINC000717389103 712653145 /nfs/dbraw/zinc/65/31/45/712653145.db2.gz SVJGCALMAHAJJK-CABZTGNLSA-N 0 3 235.287 0.166 20 0 BCADHN CCOc1cccc(CNC[C@H](O)[C@@H](C)O)c1 ZINC000717397346 712654127 /nfs/dbraw/zinc/65/41/27/712654127.db2.gz RLFCNPZHPCCZRN-MFKMUULPSA-N 0 3 239.315 0.917 20 0 BCADHN C[C@@H](O)[C@H](O)CNc1ccnc2ccccc21 ZINC000717417158 712656818 /nfs/dbraw/zinc/65/68/18/712656818.db2.gz VOJVJFWLIRJBQJ-NOZJJQNGSA-N 0 3 232.283 0.810 20 0 BCADHN Cc1ccc(CNC[C@H](O)[C@@H](C)O)cn1 ZINC000717427672 712658317 /nfs/dbraw/zinc/65/83/17/712658317.db2.gz MBEYJEDZWWSYEM-KOLCDFICSA-N 0 3 210.277 0.221 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1cccc(O)c1 ZINC000717428013 712658354 /nfs/dbraw/zinc/65/83/54/712658354.db2.gz OVQRDTBGVDYBOC-GZMMTYOYSA-N 0 3 211.261 0.224 20 0 BCADHN [NH3+][C@H](C[N-]S(=O)(=O)c1ccns1)C1CC1 ZINC000717735045 712669242 /nfs/dbraw/zinc/66/92/42/712669242.db2.gz DNPNFIVOQVBRPZ-SSDOTTSWSA-N 0 3 247.345 0.159 20 0 BCADHN C[C@@H](CCCO)NC(=O)[C@H](N)CC1CC1 ZINC000380008560 712669725 /nfs/dbraw/zinc/66/97/25/712669725.db2.gz LQAKWBKAWNONBB-WCBMZHEXSA-N 0 3 214.309 0.391 20 0 BCADHN C[C@@H](CCO)NCc1ccc(C#N)cn1 ZINC000380032017 712683641 /nfs/dbraw/zinc/68/36/41/712683641.db2.gz QOBVCMGDFGNANT-VIFPVBQESA-N 0 3 205.261 0.814 20 0 BCADHN COCCOCCCNC(=O)[C@H](N)CC1CC1 ZINC000380123421 712688135 /nfs/dbraw/zinc/68/81/35/712688135.db2.gz CEFNBQRWWPPGTH-LLVKDONJSA-N 0 3 244.335 0.283 20 0 BCADHN COCC[C@@H](N)C(=O)NCCOC1CCCC1 ZINC000111640858 712688257 /nfs/dbraw/zinc/68/82/57/712688257.db2.gz OBBNYFBMNPWLOA-LLVKDONJSA-N 0 3 244.335 0.426 20 0 BCADHN CN(C)c1ncc(CN[C@]23C[C@H]2COC3)n1C ZINC000718000335 712735322 /nfs/dbraw/zinc/73/53/22/712735322.db2.gz ZDNDNCHJNHWRTM-CABZTGNLSA-N 0 3 236.319 0.365 20 0 BCADHN Cc1coc(CNC[C@H]2CN(C)CCN2C)c1 ZINC000718032316 712737304 /nfs/dbraw/zinc/73/73/04/712737304.db2.gz WRLDNOUVTYZWJE-LBPRGKRZSA-N 0 3 237.347 0.923 20 0 BCADHN Cc1coc(CNC[C@@H]2CN(C)CCN2C)c1 ZINC000718032315 712737347 /nfs/dbraw/zinc/73/73/47/712737347.db2.gz WRLDNOUVTYZWJE-GFCCVEGCSA-N 0 3 237.347 0.923 20 0 BCADHN Nc1ccc(CN2C[C@@H]3COC[C@@H]3C2)nn1 ZINC000718197052 712753344 /nfs/dbraw/zinc/75/33/44/712753344.db2.gz IOVOBGGQHLUAGI-DTORHVGOSA-N 0 3 220.276 0.137 20 0 BCADHN Cc1coc(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000718476163 712766702 /nfs/dbraw/zinc/76/67/02/712766702.db2.gz LHRYFMKTZVDTGZ-VIFPVBQESA-N 0 3 224.260 0.306 20 0 BCADHN CCS(=O)(=O)CCNCCc1ccncc1 ZINC000037871583 712778156 /nfs/dbraw/zinc/77/81/56/712778156.db2.gz QMAHEXPFIAPWIU-UHFFFAOYSA-N 0 3 242.344 0.648 20 0 BCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cn[nH]c1 ZINC000718878028 712787024 /nfs/dbraw/zinc/78/70/24/712787024.db2.gz GIAKVUHMOGJUMJ-WDEREUQCSA-N 0 3 234.303 0.718 20 0 BCADHN C[S@](=O)CCN1CCC[C@H](C2OCCO2)C1 ZINC000718979630 712791162 /nfs/dbraw/zinc/79/11/62/712791162.db2.gz JCXOWHNCGJOANA-QFYYESIMSA-N 0 3 247.360 0.450 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@H](C2OCCO2)C1 ZINC000718989659 712791992 /nfs/dbraw/zinc/79/19/92/712791992.db2.gz SGIORBHFDLGLOH-SNVBAGLBSA-N 0 3 242.319 0.206 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@@H](C2OCCO2)C1 ZINC000718986866 712792450 /nfs/dbraw/zinc/79/24/50/712792450.db2.gz FMUDDWRIDJQUQU-NXEZZACHSA-N 0 3 242.319 0.158 20 0 BCADHN Cn1cncc1CN1CC[C@@H](C2OCCO2)C1 ZINC000719082469 712796237 /nfs/dbraw/zinc/79/62/37/712796237.db2.gz WFSLSBANDMOTMV-SNVBAGLBSA-N 0 3 237.303 0.615 20 0 BCADHN Cn1ncc(CN)c1C(=O)NCc1ccco1 ZINC000719230791 712800567 /nfs/dbraw/zinc/80/05/67/712800567.db2.gz KBCASTVUWQXRRJ-UHFFFAOYSA-N 0 3 234.259 0.402 20 0 BCADHN C[C@H](C1CC1)N(C)C(=O)c1c(CN)cnn1C ZINC000719245070 712801094 /nfs/dbraw/zinc/80/10/94/712801094.db2.gz OQDPXJRWZWJIBM-MRVPVSSYSA-N 0 3 236.319 0.749 20 0 BCADHN C[C@H]1CCCCN1C(=O)c1c(CN)cnn1C ZINC000719245711 712801412 /nfs/dbraw/zinc/80/14/12/712801412.db2.gz RVDRMQPITPGCRF-VIFPVBQESA-N 0 3 236.319 0.893 20 0 BCADHN CC(C)CCNC(=O)c1c(CN)cnn1C ZINC000719264801 712801949 /nfs/dbraw/zinc/80/19/49/712801949.db2.gz ZWRWFOIVZGAZMH-UHFFFAOYSA-N 0 3 224.308 0.655 20 0 BCADHN Cn1ncc(CN)c1C(=O)NCC(C)(F)F ZINC000719262573 712802233 /nfs/dbraw/zinc/80/22/33/712802233.db2.gz OVSMPTXTDDJPAN-UHFFFAOYSA-N 0 3 232.234 0.264 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000719342208 712804524 /nfs/dbraw/zinc/80/45/24/712804524.db2.gz VKRBRIKPBFRZOG-PSASIEDQSA-N 0 3 222.292 0.541 20 0 BCADHN C[C@H]1[C@H](Nc2nc(N)nc(C3CC3)n2)CCN1C ZINC000719361274 712805403 /nfs/dbraw/zinc/80/54/03/712805403.db2.gz ZMMWGIGZXNFVKV-IONNQARKSA-N 0 3 248.334 0.836 20 0 BCADHN COCCNC(=S)N[C@H]1CCN(C)[C@H]1C ZINC000719365077 712806439 /nfs/dbraw/zinc/80/64/39/712806439.db2.gz HYHVYGYQWHNUDJ-IUCAKERBSA-N 0 3 231.365 0.190 20 0 BCADHN C[C@H]1[C@@H](NC(=O)N2CCOCC2)CCN1C ZINC000719375199 712806871 /nfs/dbraw/zinc/80/68/71/712806871.db2.gz XYTVFQFMLDTVKY-UWVGGRQHSA-N 0 3 227.308 0.121 20 0 BCADHN CCOCC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000719435885 712807802 /nfs/dbraw/zinc/80/78/02/712807802.db2.gz NFVIVZRKGMDWRQ-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@H](N[C@H]1CCN(C)[C@H]1C)c1cn(C)nn1 ZINC000719597071 712813633 /nfs/dbraw/zinc/81/36/33/712813633.db2.gz CMAAHFZRSWQVDZ-GUBZILKMSA-N 0 3 223.324 0.558 20 0 BCADHN CC(C)(O)[C@H]1CCCN([C@@H]2CCNC2=O)C1 ZINC000719663362 712818118 /nfs/dbraw/zinc/81/81/18/712818118.db2.gz WOFGKQHFULNKDV-VHSXEESVSA-N 0 3 226.320 0.358 20 0 BCADHN CN(CCc1ccns1)CC(C)(CO)CO ZINC000719884649 712826694 /nfs/dbraw/zinc/82/66/94/712826694.db2.gz DVGYVJWULTZXEX-UHFFFAOYSA-N 0 3 244.360 0.608 20 0 BCADHN Cc1conc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000720381853 712837158 /nfs/dbraw/zinc/83/71/58/712837158.db2.gz ZWXOPXQLOGEVBX-WDEREUQCSA-N 0 3 237.303 0.234 20 0 BCADHN COC(CN1CCO[C@@H](C)CC1)OC ZINC000720406669 712839893 /nfs/dbraw/zinc/83/98/93/712839893.db2.gz MUORIXJGGJQLCV-VIFPVBQESA-N 0 3 203.282 0.716 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2C[C@H]3CCC[C@H]3O2)C[C@H]1O ZINC000720566496 712852337 /nfs/dbraw/zinc/85/23/37/712852337.db2.gz PFFRLZZGGDUSNT-NZEXEKPDSA-N 0 3 241.331 0.636 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)C[C@H]1O ZINC000720566495 712852402 /nfs/dbraw/zinc/85/24/02/712852402.db2.gz PFFRLZZGGDUSNT-KIJLLGNVSA-N 0 3 241.331 0.636 20 0 BCADHN C[C@H]1Cc2cc(CNC[C@@H](O)CO)ccc2O1 ZINC000720790316 712866205 /nfs/dbraw/zinc/86/62/05/712866205.db2.gz KXBMIPBKJADFIP-JOYOIKCWSA-N 0 3 237.299 0.453 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn[nH]c1 ZINC000720808786 712867329 /nfs/dbraw/zinc/86/73/29/712867329.db2.gz DNDNIPPNGSYRPS-GHMZBOCLSA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1nc[nH]n1 ZINC000720813378 712867683 /nfs/dbraw/zinc/86/76/83/712867683.db2.gz ZDGYPYOHHSBKBH-DTWKUNHWSA-N 0 3 235.291 0.113 20 0 BCADHN CN(C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720849928 712870793 /nfs/dbraw/zinc/87/07/93/712870793.db2.gz OAZPSXMIVKACTI-ZJUUUORDSA-N 0 3 211.309 0.837 20 0 BCADHN CO[C@@H](C)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000721059099 712888856 /nfs/dbraw/zinc/88/88/56/712888856.db2.gz VSDZALDMJQPFEF-GWCFXTLKSA-N 0 3 248.326 0.852 20 0 BCADHN CNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000721136402 712892028 /nfs/dbraw/zinc/89/20/28/712892028.db2.gz SZPAEDYTRRDLSW-NSHDSACASA-N 0 3 219.288 0.630 20 0 BCADHN CN(C)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000721134595 712892401 /nfs/dbraw/zinc/89/24/01/712892401.db2.gz NUWNVYBLOSSIHC-GFCCVEGCSA-N 0 3 233.315 0.972 20 0 BCADHN C[C@@H]1CN(c2ncnc3c2CNC3)[C@@H](C)CN1C ZINC001164635927 719179176 /nfs/dbraw/zinc/17/91/76/719179176.db2.gz MAVOULLBOQGUED-ZJUUUORDSA-N 0 3 247.346 0.609 20 0 BCADHN C[C@@H]1CN(c2cc(N)ncn2)[C@H](C)CN1C ZINC001164634880 719230850 /nfs/dbraw/zinc/23/08/50/719230850.db2.gz HZOGHWZUNGHXHX-RKDXNWHRSA-N 0 3 221.308 0.588 20 0 BCADHN C[C@H]1CN(CCCN2CCCC2=O)CC[C@H]1O ZINC000547974912 398135361 /nfs/dbraw/zinc/13/53/61/398135361.db2.gz PTYLCTNHBKJHGF-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN Cc1noc(C)c1CCN1CC[C@@H](O)C1 ZINC000076642941 136208362 /nfs/dbraw/zinc/20/83/62/136208362.db2.gz DERPBDVSIWKCQG-SNVBAGLBSA-N 0 3 210.277 0.901 20 0 BCADHN CCC(CC)(CC(=O)OC)NCC(=O)NC ZINC000310008030 168312877 /nfs/dbraw/zinc/31/28/77/168312877.db2.gz HLZUIPZEKLDRNO-UHFFFAOYSA-N 0 3 230.308 0.444 20 0 BCADHN C[C@H]1CCN(CCn2cccn2)C[C@@H]1O ZINC000093332902 343976717 /nfs/dbraw/zinc/97/67/17/343976717.db2.gz NBNUIBRXMSJRIO-QWRGUYRKSA-N 0 3 209.293 0.586 20 0 BCADHN O=C(CNC1CC1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000638695778 352533699 /nfs/dbraw/zinc/53/36/99/352533699.db2.gz RNJWESSUHSLFND-GHMZBOCLSA-N 0 3 224.304 0.422 20 0 BCADHN COCCOCCN1CC[C@H](C)[C@@H](O)C1 ZINC000093333289 343977114 /nfs/dbraw/zinc/97/71/14/343977114.db2.gz IDFLLTHGPKVEOG-QWRGUYRKSA-N 0 3 217.309 0.352 20 0 BCADHN NC(=O)CCNCc1cccc2c1CCOC2 ZINC000634728074 343977197 /nfs/dbraw/zinc/97/71/97/343977197.db2.gz PLMODBLOZRRMAJ-UHFFFAOYSA-N 0 3 234.299 0.724 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000638695781 352533499 /nfs/dbraw/zinc/53/34/99/352533499.db2.gz RNJWESSUHSLFND-WDEREUQCSA-N 0 3 224.304 0.422 20 0 BCADHN Cn1cnc(CNC(=O)C23CCCN2CCC3)n1 ZINC000550201375 398140919 /nfs/dbraw/zinc/14/09/19/398140919.db2.gz WOIOZCGIBDFGFJ-UHFFFAOYSA-N 0 3 249.318 0.060 20 0 BCADHN COC(=O)CCNC(=O)CN1C2CCC1CC2 ZINC000602149758 349454239 /nfs/dbraw/zinc/45/42/39/349454239.db2.gz BZWJBDHKUSBHRO-UHFFFAOYSA-N 0 3 240.303 0.293 20 0 BCADHN CCC(CC)(CCO)CNC(=O)C1(N)CC1 ZINC000236628284 168318944 /nfs/dbraw/zinc/31/89/44/168318944.db2.gz MTSAFRYFROKBEC-UHFFFAOYSA-N 0 3 228.336 0.783 20 0 BCADHN NC(=O)CCNCc1cnn2ccccc12 ZINC000070944295 398141652 /nfs/dbraw/zinc/14/16/52/398141652.db2.gz CREBFISDJTVIKP-UHFFFAOYSA-N 0 3 218.260 0.299 20 0 BCADHN C[C@H](NC1COCCOC1)[C@H]1CCCCO1 ZINC000379308806 398141859 /nfs/dbraw/zinc/14/18/59/398141859.db2.gz XSXKTUCCKMHXPF-CMPLNLGQSA-N 0 3 229.320 0.949 20 0 BCADHN COCCN(C)CCNC(=O)CCOC(C)C ZINC000171128321 346808571 /nfs/dbraw/zinc/80/85/71/346808571.db2.gz SEUKJRWHNVJIIL-UHFFFAOYSA-N 0 3 246.351 0.496 20 0 BCADHN CC/C(C)=C/C(=O)NC[C@](C)(O)CN(C)C ZINC000297101201 398142819 /nfs/dbraw/zinc/14/28/19/398142819.db2.gz LDRWOVGUALYTPM-PMDBQALLSA-N 0 3 228.336 0.772 20 0 BCADHN Cn1nncc1CNCCN1CCCC1 ZINC000129692447 136211655 /nfs/dbraw/zinc/21/16/55/136211655.db2.gz UNIHGYOHIKHSRQ-UHFFFAOYSA-N 0 3 209.297 0.001 20 0 BCADHN CCN(CCNC(=O)NC1(C)COC1)C1CC1 ZINC000636713341 349467215 /nfs/dbraw/zinc/46/72/15/349467215.db2.gz KKJNSSZUDOIWOY-UHFFFAOYSA-N 0 3 241.335 0.559 20 0 BCADHN Cc1nc2ccccn2c1CN[C@@H](C)CC(N)=O ZINC000161572266 349474375 /nfs/dbraw/zinc/47/43/75/349474375.db2.gz HAOPIMHRPIRXPO-VIFPVBQESA-N 0 3 246.314 0.996 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2ccnnc2)[C@H]1C ZINC000379442949 398146112 /nfs/dbraw/zinc/14/61/12/398146112.db2.gz AVMMGQADYXSOID-IUCAKERBSA-N 0 3 220.276 0.299 20 0 BCADHN CN1CCC[C@H]1CCN1CCS(=O)(=O)CC1 ZINC000161576597 349475164 /nfs/dbraw/zinc/47/51/64/349475164.db2.gz NQCLXCBDDPSMCY-NSHDSACASA-N 0 3 246.376 0.201 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2COCCO2)CCN1C ZINC000408226681 136212488 /nfs/dbraw/zinc/21/24/88/136212488.db2.gz OUSXVOUJJFYLGX-OUAUKWLOSA-N 0 3 242.319 0.001 20 0 BCADHN CN(C)CCNC(=O)c1cc(C(N)=O)cs1 ZINC000299226865 398149801 /nfs/dbraw/zinc/14/98/01/398149801.db2.gz XKFOXXKOYOXQQC-UHFFFAOYSA-N 0 3 241.316 0.138 20 0 BCADHN O[C@@H]1C[C@H](O)CN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000649334643 398150554 /nfs/dbraw/zinc/15/05/54/398150554.db2.gz RMCIQJIOWRLLCD-BBBLOLIVSA-N 0 3 235.274 0.849 20 0 BCADHN Cc1cc(CN2C[C@H](CO)[C@H](O)C2)cs1 ZINC000317574330 178004854 /nfs/dbraw/zinc/00/48/54/178004854.db2.gz BHBUXIQORRYMCB-GHMZBOCLSA-N 0 3 227.329 0.842 20 0 BCADHN C[C@@H](CCO)N(C)C[C@@H]1COCCO1 ZINC000649871017 398153538 /nfs/dbraw/zinc/15/35/38/398153538.db2.gz PVFHNUZADDCMGN-VHSXEESVSA-N 0 3 203.282 0.105 20 0 BCADHN CC[C@H](O)CN1CCO[C@@]2(CCCOC2)C1 ZINC000339186456 398153635 /nfs/dbraw/zinc/15/36/35/398153635.db2.gz UUOUXXSRYHGMTG-RYUDHWBXSA-N 0 3 229.320 0.639 20 0 BCADHN O=C(CCNCc1cc[nH]c1)N1CCOCC1 ZINC000134961071 488169943 /nfs/dbraw/zinc/16/99/43/488169943.db2.gz IRQRKLMQRGEDDE-UHFFFAOYSA-N 0 3 237.303 0.353 20 0 BCADHN COCC1(CN[C@H]2CCNC2=O)CCC1 ZINC000389976853 398154725 /nfs/dbraw/zinc/15/47/25/398154725.db2.gz GCOKTOGZGFFMMH-VIFPVBQESA-N 0 3 212.293 0.281 20 0 BCADHN C[C@@H](CNC(=O)CN)N1CCc2ccccc2C1 ZINC000237543227 398154983 /nfs/dbraw/zinc/15/49/83/398154983.db2.gz RIIGEBOEPFYFPD-NSHDSACASA-N 0 3 247.342 0.508 20 0 BCADHN C[C@@H](CCO)N(C)CCN1CCO[C@@H](C)C1 ZINC000649869700 398155260 /nfs/dbraw/zinc/15/52/60/398155260.db2.gz 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COCCN(C)CCCNC(=O)C1CCC1 ZINC000041951171 342807370 /nfs/dbraw/zinc/80/73/70/342807370.db2.gz LFDDVRNYVXYUNA-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN COC[C@@H](O)C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000232422769 342834868 /nfs/dbraw/zinc/83/48/68/342834868.db2.gz RVFSKNWUQMKETL-VIFPVBQESA-N 0 3 229.251 0.628 20 0 BCADHN CCN(C)CCNC(=O)Cn1cc(C)cn1 ZINC000066949013 361925486 /nfs/dbraw/zinc/92/54/86/361925486.db2.gz PBSONGYOCXTJDL-UHFFFAOYSA-N 0 3 224.308 0.259 20 0 BCADHN CCNC(=O)N1CC[C@@H](NC2CSC2)C1 ZINC000380333172 538988898 /nfs/dbraw/zinc/98/88/98/538988898.db2.gz PAJBIIAPJNKFEQ-MRVPVSSYSA-N 0 3 229.349 0.495 20 0 BCADHN CCCNC(=O)CN[C@@H]1CN(C)C[C@@H]1C ZINC000380342406 538989214 /nfs/dbraw/zinc/98/92/14/538989214.db2.gz SBGRLHRDBURKTQ-VHSXEESVSA-N 0 3 213.325 0.052 20 0 BCADHN CCCCOC[C@H](O)CN[C@@H]1CC[S@@](=O)C1 ZINC000583989372 342830138 /nfs/dbraw/zinc/83/01/38/342830138.db2.gz AEASEMVBPSDBRA-GLKRBJQHSA-N 0 3 249.376 0.275 20 0 BCADHN C[C@@H]1CN(Cc2cncnc2)C[C@H]1CO ZINC000191721752 538993659 /nfs/dbraw/zinc/99/36/59/538993659.db2.gz HURCRUNVPYPTQM-KOLCDFICSA-N 0 3 207.277 0.537 20 0 BCADHN Cc1nn(C)cc1CN(C)CC1CC(O)C1 ZINC000191164111 538991420 /nfs/dbraw/zinc/99/14/20/538991420.db2.gz VHWFEFJEZRDPGA-UHFFFAOYSA-N 0 3 223.320 0.931 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H](O)C1)N1CCCCCC1 ZINC000174571355 361931317 /nfs/dbraw/zinc/93/13/17/361931317.db2.gz NDJDZYMUYDYUSD-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN Cc1ncccc1CN(C[C@H](C)O)[C@@H](C)CO ZINC000191209775 538992068 /nfs/dbraw/zinc/99/20/68/538992068.db2.gz FDDHJANUMWGVTF-QWRGUYRKSA-N 0 3 238.331 0.954 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CCC[C@@H]1O ZINC000634413158 361935508 /nfs/dbraw/zinc/93/55/08/361935508.db2.gz YIJCZZGNYSYBCW-WYUUTHIRSA-N 0 3 240.347 0.889 20 0 BCADHN C[C@@H](C1CC1)N(C)C(=O)CN1CCNCC1 ZINC000036786256 398291884 /nfs/dbraw/zinc/29/18/84/398291884.db2.gz JVVDJFCUIZZSSV-JTQLQIEISA-N 0 3 225.336 0.149 20 0 BCADHN Cn1nccc1CN[C@H](CO)CC1CC1 ZINC000380011237 538983738 /nfs/dbraw/zinc/98/37/38/538983738.db2.gz RSKJLVFOGCDWFU-JTQLQIEISA-N 0 3 209.293 0.671 20 0 BCADHN CCNC(=O)CN(CC)CCCOC ZINC000051471693 349625641 /nfs/dbraw/zinc/62/56/41/349625641.db2.gz NAORKFGRDKZKAH-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN CCn1cnnc1CN[C@@H](C)CCCCO ZINC000381479853 539001584 /nfs/dbraw/zinc/00/15/84/539001584.db2.gz SGENFYPDZBSZLN-JTQLQIEISA-N 0 3 226.324 0.939 20 0 BCADHN CC(C)[C@@H](C(=O)NCCc1cnoc1)N(C)C ZINC000640714777 361957036 /nfs/dbraw/zinc/95/70/36/361957036.db2.gz HDFSAUPMPLEJQH-NSHDSACASA-N 0 3 239.319 0.920 20 0 BCADHN CC[C@H](C(=O)NCCc1cnoc1)N(C)C ZINC000640714926 361957397 /nfs/dbraw/zinc/95/73/97/361957397.db2.gz MUCBHNSFBHDLBU-SNVBAGLBSA-N 0 3 225.292 0.674 20 0 BCADHN CN(Cc1ccnc(N)c1)C[C@@H](O)C1CC1 ZINC000381599454 539004732 /nfs/dbraw/zinc/00/47/32/539004732.db2.gz GOXDFKDQADIVGU-LLVKDONJSA-N 0 3 221.304 0.697 20 0 BCADHN CCCN(C)CC(=O)NCCc1cnoc1 ZINC000640718642 361961479 /nfs/dbraw/zinc/96/14/79/361961479.db2.gz RRYKVXQFDLFXDI-UHFFFAOYSA-N 0 3 225.292 0.675 20 0 BCADHN CN(CCC(N)=O)Cc1ccc(O)cc1 ZINC000382270449 539008683 /nfs/dbraw/zinc/00/86/83/539008683.db2.gz IWFBXLUIVRSTJX-UHFFFAOYSA-N 0 3 208.261 0.699 20 0 BCADHN CC1(C)CN(C(=O)C2(N)CCCCC2)CCN1 ZINC000335626403 136240638 /nfs/dbraw/zinc/24/06/38/136240638.db2.gz DIAQOWHEODHJKC-UHFFFAOYSA-N 0 3 239.363 0.858 20 0 BCADHN C[C@H](C[C@@H]1CCOC1)NCc1ncnn1C ZINC000381314111 538998116 /nfs/dbraw/zinc/99/81/16/538998116.db2.gz MLDXKIDCEFQXEC-ZJUUUORDSA-N 0 3 224.308 0.720 20 0 BCADHN CCc1nn(C)cc1CNCCN1CCC1 ZINC000390439302 539021667 /nfs/dbraw/zinc/02/16/67/539021667.db2.gz UPGOVBDMFBDVEQ-UHFFFAOYSA-N 0 3 222.336 0.778 20 0 BCADHN O=C1CCC[C@H](CNCc2cccnc2)N1 ZINC000390815839 539027557 /nfs/dbraw/zinc/02/75/57/539027557.db2.gz KGZUHIZZLQGNDN-LLVKDONJSA-N 0 3 219.288 0.840 20 0 BCADHN O=C1CCC[C@@H](CNCc2cccnc2)N1 ZINC000390815840 539027568 /nfs/dbraw/zinc/02/75/68/539027568.db2.gz KGZUHIZZLQGNDN-NSHDSACASA-N 0 3 219.288 0.840 20 0 BCADHN COc1cc(C)nc(NCC2=CCN(C)CC2)n1 ZINC000392823864 539028001 /nfs/dbraw/zinc/02/80/01/539028001.db2.gz JLDISEFKKUTDPT-UHFFFAOYSA-N 0 3 248.330 0.889 20 0 BCADHN Cc1ccnc(C(=O)NC[C@@H](C)N(C)C2CC2)n1 ZINC000349565538 398297437 /nfs/dbraw/zinc/29/74/37/398297437.db2.gz PDPNGUGFZFJMNB-SNVBAGLBSA-N 0 3 248.330 0.998 20 0 BCADHN CN(Cc1ccco1)C(=O)CN1CCNCC1 ZINC000036946259 398297703 /nfs/dbraw/zinc/29/77/03/398297703.db2.gz UURUYWYZEIRARW-UHFFFAOYSA-N 0 3 237.303 0.143 20 0 BCADHN C[C@@H]1COCC[C@H]1NCc1cn(C)cn1 ZINC000389573797 539016405 /nfs/dbraw/zinc/01/64/05/539016405.db2.gz CBZWRJBVJRRVDX-MWLCHTKSSA-N 0 3 209.293 0.935 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)C(C)(C)O ZINC000389938797 539018771 /nfs/dbraw/zinc/01/87/71/539018771.db2.gz NZOQUQBJKRADPK-BDAKNGLRSA-N 0 3 237.365 0.559 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCO[C@H](C)[C@H]2C)C1 ZINC000517757397 259326001 /nfs/dbraw/zinc/32/60/01/259326001.db2.gz QEBLHMAIZZWJON-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CCCn1cc(Cn2cc(CN)cn2)nn1 ZINC000640752491 361994369 /nfs/dbraw/zinc/99/43/69/361994369.db2.gz BLENMXRYGDKSNI-UHFFFAOYSA-N 0 3 220.280 0.392 20 0 BCADHN C[C@@H]1NCCN(C(=O)Cc2ccnn2C)[C@H]1C ZINC000335644618 136243412 /nfs/dbraw/zinc/24/34/12/136243412.db2.gz TYNQZWQDZMVNGV-UWVGGRQHSA-N 0 3 236.319 0.171 20 0 BCADHN CCN1CCN(CCOC2CCOCC2)CC1 ZINC000625059558 342846378 /nfs/dbraw/zinc/84/63/78/342846378.db2.gz FNOYGUGVUVTWLT-UHFFFAOYSA-N 0 3 242.363 0.820 20 0 BCADHN CO[C@H](C(=O)NCCOCCN(C)C)C1CC1 ZINC000350784399 398301889 /nfs/dbraw/zinc/30/18/89/398301889.db2.gz SFFSMZCHYRQSES-NSHDSACASA-N 0 3 244.335 0.106 20 0 BCADHN CN(C[C@@H](O)CC1(O)CCC1)C[C@H]1CCCO1 ZINC000625091232 342850918 /nfs/dbraw/zinc/85/09/18/342850918.db2.gz ZFNFJONLGCHUJU-NWDGAFQWSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@H](NC(=O)CN(C)C(C)(C)C)C(=O)N(C)C ZINC000583992399 342852387 /nfs/dbraw/zinc/85/23/87/342852387.db2.gz KGJQYBICKLJNNQ-VIFPVBQESA-N 0 3 243.351 0.310 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000037026645 398299991 /nfs/dbraw/zinc/29/99/91/398299991.db2.gz ZGUFHWMTCXIBAG-SECBINFHSA-N 0 3 239.250 0.600 20 0 BCADHN COC(=O)[C@@H](C)CN(C)Cc1c[nH]nc1C ZINC000091987468 398304650 /nfs/dbraw/zinc/30/46/50/398304650.db2.gz QTCLXCHPSVPJHN-QMMMGPOBSA-N 0 3 225.292 0.959 20 0 BCADHN CC[C@@H](C)[C@H](O)CNCc1cnnn1CC ZINC000417925017 398306283 /nfs/dbraw/zinc/30/62/83/398306283.db2.gz XWGGHNSSMFIERS-MWLCHTKSSA-N 0 3 226.324 0.795 20 0 BCADHN CO[C@H](CNCC(=O)NCC1CC1)C1CC1 ZINC000382152253 398307672 /nfs/dbraw/zinc/30/76/72/398307672.db2.gz PZKJKCXVYKHQLY-LLVKDONJSA-N 0 3 226.320 0.527 20 0 BCADHN Cc1c(C(=O)NC(C)(C)CN(C)C)cnn1C ZINC000622098892 398308989 /nfs/dbraw/zinc/30/89/89/398308989.db2.gz VTYRCZSOOCLJDJ-UHFFFAOYSA-N 0 3 238.335 0.799 20 0 BCADHN CN(CCNC(=O)c1ccc(N)nc1)C1CC1 ZINC000059931338 342876998 /nfs/dbraw/zinc/87/69/98/342876998.db2.gz MKJNTJNWIROKAF-UHFFFAOYSA-N 0 3 234.303 0.488 20 0 BCADHN CN(CCOC1CCOCC1)[C@@H]1CCOC1 ZINC000625154012 342896066 /nfs/dbraw/zinc/89/60/66/342896066.db2.gz KXFLWAVAZGYJAG-LLVKDONJSA-N 0 3 229.320 0.903 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)[C@@H](N)CC(C)C ZINC000236867535 398319616 /nfs/dbraw/zinc/31/96/16/398319616.db2.gz SISVHECSOWITTH-OUAUKWLOSA-N 0 3 230.352 0.883 20 0 BCADHN COCCN(C)CCNC(=O)C1CC(OC)C1 ZINC000625131933 342884236 /nfs/dbraw/zinc/88/42/36/342884236.db2.gz DRYTVSZHAJKBCJ-UHFFFAOYSA-N 0 3 244.335 0.106 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1CCCO ZINC000650583353 398311707 /nfs/dbraw/zinc/31/17/07/398311707.db2.gz JCIGUNAEXJAXNG-IJLUTSLNSA-N 0 3 240.347 0.605 20 0 BCADHN CCO[C@@H](CN(CCO)CCO)C1CC1 ZINC000625137785 342888087 /nfs/dbraw/zinc/88/80/87/342888087.db2.gz ULKYCWIAPXQBGH-NSHDSACASA-N 0 3 217.309 0.088 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H](O)c1ccccc1 ZINC000035605559 342889871 /nfs/dbraw/zinc/88/98/71/342889871.db2.gz IVSQEPYOAHLVBJ-SCZZXKLOSA-N 0 3 208.261 0.183 20 0 BCADHN CN(C)CCNC(=O)[C@H](c1ccccc1)N(C)C ZINC000062065762 398314615 /nfs/dbraw/zinc/31/46/15/398314615.db2.gz KTIHIYWDPQLLQP-ZDUSSCGKSA-N 0 3 249.358 0.967 20 0 BCADHN C[C@@H](O)CCN(C)CCc1cn(C)nn1 ZINC000625185179 342904704 /nfs/dbraw/zinc/90/47/04/342904704.db2.gz VQWXOBRGVMOQBO-SECBINFHSA-N 0 3 212.297 0.060 20 0 BCADHN OCCOCCN1CCC12CCOCC2 ZINC000683526048 488186322 /nfs/dbraw/zinc/18/63/22/488186322.db2.gz RMFVZMPZTYFKNR-UHFFFAOYSA-N 0 3 215.293 0.250 20 0 BCADHN Cn1cnc2cc(NC(=O)[C@H]3CCN3)ccc21 ZINC000336597398 398322956 /nfs/dbraw/zinc/32/29/56/398322956.db2.gz CDBMEGIGOFDDKN-SECBINFHSA-N 0 3 230.271 0.874 20 0 BCADHN CCOC[C@H](NC(=O)CNC1CC1)C(C)C ZINC000233747456 342912447 /nfs/dbraw/zinc/91/24/47/342912447.db2.gz VHUSNQKNHDZOQS-NSHDSACASA-N 0 3 228.336 0.916 20 0 BCADHN Cn1cc(CCN2CCCOC(C)(C)C2)nn1 ZINC000625172601 342900649 /nfs/dbraw/zinc/90/06/49/342900649.db2.gz BWNFGWBMRPSBDC-UHFFFAOYSA-N 0 3 238.335 0.859 20 0 BCADHN COC[C@@H]1CCN(CC(=O)N(C)C)C1 ZINC000351514791 136246787 /nfs/dbraw/zinc/24/67/87/136246787.db2.gz AGJDKQUEEHGCQA-SECBINFHSA-N 0 3 200.282 0.043 20 0 BCADHN CC(C)c1nn(C)cc1NC(=O)[C@H](C)N ZINC000300908788 259328328 /nfs/dbraw/zinc/32/83/28/259328328.db2.gz PQWSEWYVSMGJGX-ZETCQYMHSA-N 0 3 210.281 0.829 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cnnn1C ZINC000351572300 136246984 /nfs/dbraw/zinc/24/69/84/136246984.db2.gz CUNFQSDQGRWATI-VHSXEESVSA-N 0 3 223.324 0.340 20 0 BCADHN C[C@H](O)CN(C)CCOC1CCOCC1 ZINC000625186650 342903933 /nfs/dbraw/zinc/90/39/33/342903933.db2.gz CUIMSCQDLOQJTK-JTQLQIEISA-N 0 3 217.309 0.495 20 0 BCADHN C[C@@H](O)CCN(C)CCOC1CCOCC1 ZINC000625184649 342904358 /nfs/dbraw/zinc/90/43/58/342904358.db2.gz RZBVGLKIAWKMRG-LLVKDONJSA-N 0 3 231.336 0.885 20 0 BCADHN CN(C[C@H](O)CC1(O)CCC1)C[C@H](O)C1CC1 ZINC000625225264 342922031 /nfs/dbraw/zinc/92/20/31/342922031.db2.gz VBGDMUITFKDZJK-NEPJUHHUSA-N 0 3 243.347 0.355 20 0 BCADHN CN(C[C@H](O)C1CC1)C[C@@H](O)CC1(O)CCC1 ZINC000625225266 342922178 /nfs/dbraw/zinc/92/21/78/342922178.db2.gz VBGDMUITFKDZJK-RYUDHWBXSA-N 0 3 243.347 0.355 20 0 BCADHN COC[C@](C)(CCO)NCc1cnc(N)s1 ZINC000261577657 536630429 /nfs/dbraw/zinc/63/04/29/536630429.db2.gz LGYVOBNEIMNQSO-JTQLQIEISA-N 0 3 245.348 0.602 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc(N(C)C)nc1 ZINC000037020088 342916149 /nfs/dbraw/zinc/91/61/49/342916149.db2.gz MGFGIPNOLJXZPD-ZETCQYMHSA-N 0 3 208.265 0.433 20 0 BCADHN COC(=O)[C@H](C)NC(=O)[C@H](N)CC(C)C ZINC000037032006 342916413 /nfs/dbraw/zinc/91/64/13/342916413.db2.gz MSJQGHXFANABFS-JGVFFNPUSA-N 0 3 216.281 0.038 20 0 BCADHN CC(C)CN(C)CC(=O)N1CCNCC1 ZINC000037108571 342921117 /nfs/dbraw/zinc/92/11/17/342921117.db2.gz VUHLMHKJSWXLQQ-UHFFFAOYSA-N 0 3 213.325 0.006 20 0 BCADHN CC(C)NC(=O)CCN1CCc2n[nH]nc2C1 ZINC000351610382 136248396 /nfs/dbraw/zinc/24/83/96/136248396.db2.gz VQXYAZVXWHLQSH-UHFFFAOYSA-N 0 3 237.307 0.078 20 0 BCADHN COCCC(C)(C)CNC(=O)[C@H](C)N ZINC000234590879 342930623 /nfs/dbraw/zinc/93/06/23/342930623.db2.gz HAEGFOYKBHAQSP-QMMMGPOBSA-N 0 3 202.298 0.513 20 0 BCADHN CN(C)CC(=O)Nc1cnc2c(c1)CNCC2 ZINC000648106774 398327444 /nfs/dbraw/zinc/32/74/44/398327444.db2.gz 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QMIOICWVIRONHS-NWDGAFQWSA-N 0 3 244.379 0.534 20 0 BCADHN CC[C@@H](C)C[C@H](CO)NCc1cnnn1C ZINC000647244366 398330418 /nfs/dbraw/zinc/33/04/18/398330418.db2.gz YKAOTMATTYAKNG-NXEZZACHSA-N 0 3 226.324 0.702 20 0 BCADHN C[C@H](CCO)NCc1cc(C(N)=O)cs1 ZINC000122988610 398337824 /nfs/dbraw/zinc/33/78/24/398337824.db2.gz HWHHESAKIDMKML-SSDOTTSWSA-N 0 3 228.317 0.708 20 0 BCADHN COCCC1(CNC(=O)CNC(C)C)CC1 ZINC000234759744 342940248 /nfs/dbraw/zinc/94/02/48/342940248.db2.gz BWQZPPVIDPMAQI-UHFFFAOYSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@@H]1CN(C(=O)C[C@H]2CCOC2)[C@@H](C)CN1 ZINC000356346660 398338815 /nfs/dbraw/zinc/33/88/15/398338815.db2.gz NFMXEWVBKBWBEM-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@H]1C[C@@H](NC(=O)CNC(C)C)C1(C)C ZINC000234769005 342940585 /nfs/dbraw/zinc/94/05/85/342940585.db2.gz YAKBYLMWVMAMQO-ZJUUUORDSA-N 0 3 228.336 0.914 20 0 BCADHN COCCOC[C@@H](O)CNCc1ccncc1 ZINC000234734217 342940639 /nfs/dbraw/zinc/94/06/39/342940639.db2.gz WLUUSCHISYWBDC-LBPRGKRZSA-N 0 3 240.303 0.195 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ZINC000037801328 398334345 /nfs/dbraw/zinc/33/43/45/398334345.db2.gz UHBZZTXKGLAGHW-SNVBAGLBSA-N 0 3 243.351 0.343 20 0 BCADHN C[C@@H](N)C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000037797736 398334374 /nfs/dbraw/zinc/33/43/74/398334374.db2.gz RFMCRMQTJYWWPB-SNVBAGLBSA-N 0 3 249.314 0.388 20 0 BCADHN C[C@H](N(C)C(=O)CN1CCNCC1)C(C)(C)C ZINC000037807227 398334452 /nfs/dbraw/zinc/33/44/52/398334452.db2.gz PYEBDDGGXNUVHU-NSHDSACASA-N 0 3 241.379 0.785 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)CC(=O)NCC ZINC000037821908 398334662 /nfs/dbraw/zinc/33/46/62/398334662.db2.gz BLFIRRQCWKOFGE-LLVKDONJSA-N 0 3 229.324 0.098 20 0 BCADHN CC[C@H](N)C(=O)N(CC)C[C@H]1CCOC1 ZINC000037827272 398334733 /nfs/dbraw/zinc/33/47/33/398334733.db2.gz MSLXXHYKZGWVJK-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN N[C@H](CC(=O)NCc1nc[nH]n1)c1ccccc1 ZINC000037920096 398335396 /nfs/dbraw/zinc/33/53/96/398335396.db2.gz RSKFBWRQTIKQDQ-SNVBAGLBSA-N 0 3 245.286 0.511 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000129647406 344015089 /nfs/dbraw/zinc/01/50/89/344015089.db2.gz DNUKATBXAVDMIU-MRVPVSSYSA-N 0 3 249.270 0.807 20 0 BCADHN COC(=O)[C@@H](O)C1CCN(CC[C@H](C)F)CC1 ZINC000351752102 136251022 /nfs/dbraw/zinc/25/10/22/136251022.db2.gz MWOFVLVADBTOFV-ONGXEEELSA-N 0 3 247.310 0.980 20 0 BCADHN Cc1ncc(C(=O)N2CCN(C)CC2(C)C)[nH]1 ZINC000270873723 398343519 /nfs/dbraw/zinc/34/35/19/398343519.db2.gz ADEFCTHYWITJHS-UHFFFAOYSA-N 0 3 236.319 0.884 20 0 BCADHN CN1CCCC[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000635643916 398344156 /nfs/dbraw/zinc/34/41/56/398344156.db2.gz BOTKMXSKKHFODA-NSHDSACASA-N 0 3 239.363 0.681 20 0 BCADHN C[C@H](NC[C@]1(O)CCO[C@H]1C)c1cnccn1 ZINC000300424454 398344577 /nfs/dbraw/zinc/34/45/77/398344577.db2.gz UDAAAVSRUCSWTE-JBLDHEPKSA-N 0 3 237.303 0.667 20 0 BCADHN CSCCNC(=O)[C@@H](N)CC(F)F ZINC000379342169 342945548 /nfs/dbraw/zinc/94/55/48/342945548.db2.gz CGFXHWNWIHDJGX-YFKPBYRVSA-N 0 3 212.265 0.448 20 0 BCADHN Cc1ncc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cn1 ZINC000351751914 136251319 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/nfs/dbraw/zinc/02/35/97/323023597.db2.gz QBAXMFMEFOZPRN-GMTAPVOTSA-N 0 3 217.309 0.493 20 0 BCADHN O=C1NCC[C@@H]1CCN1CCSCC1 ZINC000576812929 365691044 /nfs/dbraw/zinc/69/10/44/365691044.db2.gz XYLXOBYYYGHLKF-SECBINFHSA-N 0 3 214.334 0.561 20 0 BCADHN COC[C@H](C)OC[C@H](O)CNCc1ccoc1 ZINC000234842228 342957788 /nfs/dbraw/zinc/95/77/88/342957788.db2.gz SNCQIMWWTUONMG-CMPLNLGQSA-N 0 3 243.303 0.782 20 0 BCADHN CC1CCN(CC(=O)N(C)CCCO)CC1 ZINC000351834953 136256725 /nfs/dbraw/zinc/25/67/25/136256725.db2.gz MRWKSHHNRTZIKT-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN Cc1ncc(CN2CC[C@H](C)[C@@H]2CO)n1C ZINC000668035355 488192389 /nfs/dbraw/zinc/19/23/89/488192389.db2.gz JUHXCXBKRYRSNW-CABZTGNLSA-N 0 3 223.320 0.931 20 0 BCADHN CCOC(=O)C1(CNC(=O)[C@H](C)NC)CCC1 ZINC000566924431 323026109 /nfs/dbraw/zinc/02/61/09/323026109.db2.gz QFCSTGWDKVHFBS-VIFPVBQESA-N 0 3 242.319 0.444 20 0 BCADHN COCCOC[C@H](O)CNCc1ccsc1 ZINC000234901824 342965581 /nfs/dbraw/zinc/96/55/81/342965581.db2.gz 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234.299 0.965 20 0 BCADHN Cc1ccc(NC(=O)[C@H]2C[C@H](O)CN2)c(F)c1 ZINC000020434638 342985407 /nfs/dbraw/zinc/98/54/07/342985407.db2.gz XOWUBJHRSPNLMD-GZMMTYOYSA-N 0 3 238.262 0.795 20 0 BCADHN C[C@H](c1ccncc1)N(C)C(=O)[C@H](C)N ZINC000037823920 342985741 /nfs/dbraw/zinc/98/57/41/342985741.db2.gz XRQDIYPNOYROII-DTWKUNHWSA-N 0 3 207.277 0.948 20 0 BCADHN CS[C@H]1CC[C@@H]1N[C@@H]1COC[C@@H]1O ZINC000602726773 349715451 /nfs/dbraw/zinc/71/54/51/349715451.db2.gz ZAQAGLFXOPVXKW-KZVJFYERSA-N 0 3 203.307 0.230 20 0 BCADHN Cc1ccc(F)c(NC(=O)[C@@H]2C[C@@H](O)CN2)c1 ZINC000020471923 342986133 /nfs/dbraw/zinc/98/61/33/342986133.db2.gz YTYXIBAKKKSRTE-KCJUWKMLSA-N 0 3 238.262 0.795 20 0 BCADHN COC(C)(C)CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000167486070 136258346 /nfs/dbraw/zinc/25/83/46/136258346.db2.gz MTEKNZNCFHRSBY-NXEZZACHSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H](C)c1nccs1 ZINC000235154386 342988267 /nfs/dbraw/zinc/98/82/67/342988267.db2.gz ZDGVSVJDNBIKTQ-NKWVEPMBSA-N 0 3 213.306 0.710 20 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ZINC000037943220 343014750 /nfs/dbraw/zinc/01/47/50/343014750.db2.gz CYXMQJBVNUEXDW-WPRPVWTQSA-N 0 3 200.282 0.409 20 0 BCADHN CCN(C#N)CCN[C@@]1(C)CCO[C@H]1C ZINC000602823521 349763118 /nfs/dbraw/zinc/76/31/18/349763118.db2.gz UWPCMQODAZWGBK-QWRGUYRKSA-N 0 3 211.309 0.946 20 0 BCADHN CCN(C#N)CCN[C@]1(CC)CCOC1 ZINC000602823850 349763421 /nfs/dbraw/zinc/76/34/21/349763421.db2.gz DNCTUUDLVWTVIW-LLVKDONJSA-N 0 3 211.309 0.948 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@@](C)(O)C1 ZINC000335904205 136260495 /nfs/dbraw/zinc/26/04/95/136260495.db2.gz FSAXPZJIKULTHV-GXSJLCMTSA-N 0 3 229.324 0.103 20 0 BCADHN COC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000050461053 343022510 /nfs/dbraw/zinc/02/25/10/343022510.db2.gz RRXQTBMDVMMVRW-ZJUUUORDSA-N 0 3 234.255 0.759 20 0 BCADHN CCn1cnnc1NC(=O)/C=C\CN(C)C ZINC000492824356 529598511 /nfs/dbraw/zinc/59/85/11/529598511.db2.gz AFNCVNXVTVNIKK-WAYWQWQTSA-N 0 3 223.280 0.354 20 0 BCADHN CCN(C#N)CCN[C@@H]1CCCC[C@H]1C(N)=O ZINC000602808163 349753270 /nfs/dbraw/zinc/75/32/70/349753270.db2.gz CVAOODDVOJSCQT-GHMZBOCLSA-N 0 3 238.335 0.423 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)NCC(C)=O ZINC000602809453 349753321 /nfs/dbraw/zinc/75/33/21/349753321.db2.gz IOEFSTHWQCEHIN-RKDXNWHRSA-N 0 3 201.266 0.753 20 0 BCADHN CCN(C#N)CCN1CCC[C@@H]1CCO ZINC000602809679 349753384 /nfs/dbraw/zinc/75/33/84/349753384.db2.gz CFCDXGAQLZWJFT-LLVKDONJSA-N 0 3 211.309 0.636 20 0 BCADHN CCN(C#N)CCN1CC[C@H]([C@H](C)O)C1 ZINC000602808455 349753510 /nfs/dbraw/zinc/75/35/10/349753510.db2.gz WAVMJCAEYAUJOX-QWRGUYRKSA-N 0 3 211.309 0.492 20 0 BCADHN CCN(C#N)CCN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000602808168 349753569 /nfs/dbraw/zinc/75/35/69/349753569.db2.gz CVAOODDVOJSCQT-WDEREUQCSA-N 0 3 238.335 0.423 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NCCN(C#N)CC ZINC000602811992 349755778 /nfs/dbraw/zinc/75/57/78/349755778.db2.gz RFEXKNMKOBEFBE-WDEREUQCSA-N 0 3 241.335 0.967 20 0 BCADHN C[C@H]1C[C@H](Nc2nnnn2C)CN1C1CC1 ZINC000309517891 259343557 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343251120 /nfs/dbraw/zinc/25/11/20/343251120.db2.gz ZVXJTIVHIGQZLM-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN COC[C@@H](O)CNCc1ccc(C)nc1 ZINC000068892045 343251963 /nfs/dbraw/zinc/25/19/63/343251963.db2.gz ZMCSYUKHCVEGLV-NSHDSACASA-N 0 3 210.277 0.487 20 0 BCADHN CCOC[C@@H](C)N[C@H]1CCCS(=O)(=O)C1 ZINC000068940241 343253389 /nfs/dbraw/zinc/25/33/89/343253389.db2.gz NFRRIHKWHNUDHP-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN CC[C@@H](NCc1cnnn1C)[C@H]1CCCO1 ZINC000119824957 343223366 /nfs/dbraw/zinc/22/33/66/343223366.db2.gz WLGSMQFJGYQIRE-GHMZBOCLSA-N 0 3 224.308 0.862 20 0 BCADHN CC[C@](C)(N)c1cn([C@@H]2CCCNC2=O)nn1 ZINC000641052160 362161443 /nfs/dbraw/zinc/16/14/43/362161443.db2.gz QOYSQSRQQFLLCK-KCJUWKMLSA-N 0 3 237.307 0.313 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC(COC)CC1 ZINC000069633001 343287326 /nfs/dbraw/zinc/28/73/26/343287326.db2.gz RFLBIAQLRWLGJV-VIFPVBQESA-N 0 3 214.309 0.479 20 0 BCADHN CN(C)CCc1cn(Cc2cc[nH]n2)nn1 ZINC000641050130 362157941 /nfs/dbraw/zinc/15/79/41/362157941.db2.gz YSRJDCLRKZYIKS-UHFFFAOYSA-N 0 3 220.280 0.154 20 0 BCADHN C[C@H](C(=O)Nc1ccccc1)N1CCNCC1 ZINC000019977247 343262332 /nfs/dbraw/zinc/26/23/32/343262332.db2.gz QXDFGTIRQWUJGQ-LLVKDONJSA-N 0 3 233.315 0.919 20 0 BCADHN Cc1nocc1Cn1cc(CCN(C)C)nn1 ZINC000641049340 362159907 /nfs/dbraw/zinc/15/99/07/362159907.db2.gz LCIAIPXHSRTZCZ-UHFFFAOYSA-N 0 3 235.291 0.727 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2c[nH]cn2)nn1 ZINC000641035507 362147527 /nfs/dbraw/zinc/14/75/27/362147527.db2.gz MFQGQYUGSOHKFL-JTQLQIEISA-N 0 3 220.280 0.633 20 0 BCADHN CC[C@@H](C(=O)NCCc1cncn1C)N(C)C ZINC000121613080 343268289 /nfs/dbraw/zinc/26/82/89/343268289.db2.gz WATSPIZMEPVYTD-NSHDSACASA-N 0 3 238.335 0.419 20 0 BCADHN CCC[C@H](N)c1cn(Cc2c[nH]cn2)nn1 ZINC000641035700 362147718 /nfs/dbraw/zinc/14/77/18/362147718.db2.gz VTKSWFIDWMHHLO-VIFPVBQESA-N 0 3 220.280 0.849 20 0 BCADHN O=C1NCC[C@@H]1n1cc(CNC2CCCC2)nn1 ZINC000641044681 362152360 /nfs/dbraw/zinc/15/23/60/362152360.db2.gz 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ZINC000157533570 133487845 /nfs/dbraw/zinc/48/78/45/133487845.db2.gz FBASCWMPYUDRPQ-QWRGUYRKSA-N 0 3 230.283 0.373 20 0 BCADHN CCCN(C(=O)[C@@H](O)C1CC1)[C@H]1CCN(C)C1 ZINC000616467684 343462256 /nfs/dbraw/zinc/46/22/56/343462256.db2.gz HMFQFLCRODMCCS-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN CO[C@@H]1C[C@H](N[C@H]2CCNC2=O)C12CCC2 ZINC000570054326 323048486 /nfs/dbraw/zinc/04/84/86/323048486.db2.gz KHDIGNWTODHDBW-LPEHRKFASA-N 0 3 224.304 0.422 20 0 BCADHN CCCC[C@@H](CN)NC(=O)C(=O)c1ccc[nH]1 ZINC000623066552 349812807 /nfs/dbraw/zinc/81/28/07/349812807.db2.gz KDYOPFGSSATDMF-VIFPVBQESA-N 0 3 237.303 0.831 20 0 BCADHN Cc1c(F)cccc1NC(=O)[C@H]1C[C@H](O)CN1 ZINC000043322100 343468025 /nfs/dbraw/zinc/46/80/25/343468025.db2.gz DJKNVNJRXDXUKH-GZMMTYOYSA-N 0 3 238.262 0.795 20 0 BCADHN CCN(C#N)CCN1CC[C@@H](CO)C[C@H]1C ZINC000602919930 349810134 /nfs/dbraw/zinc/81/01/34/349810134.db2.gz YRYIOSFFLKBKRS-VXGBXAGGSA-N 0 3 225.336 0.882 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCC[C@@H](C)O ZINC000082996208 343470237 /nfs/dbraw/zinc/47/02/37/343470237.db2.gz AKTIXCAPOYQHJH-PSASIEDQSA-N 0 3 202.298 0.391 20 0 BCADHN C[C@@H](CNC(=O)[C@H](C)N(C)C)N(C)C ZINC000616488260 343470638 /nfs/dbraw/zinc/47/06/38/343470638.db2.gz CJONQAVTFUSYPI-IUCAKERBSA-N 0 3 201.314 0.003 20 0 BCADHN CO[C@@H](C(=O)NC[C@H](C)N(C)C)[C@@H]1CCOC1 ZINC000616486806 343472469 /nfs/dbraw/zinc/47/24/69/343472469.db2.gz GUCNYXUDTHNDCM-HBNTYKKESA-N 0 3 244.335 0.104 20 0 BCADHN C[C@@H](CNC(=O)c1ccnn1C(F)F)N(C)C ZINC000616487453 343472706 /nfs/dbraw/zinc/47/27/06/343472706.db2.gz ZFHKPIXNSJNVDJ-ZETCQYMHSA-N 0 3 246.261 0.958 20 0 BCADHN CCc1cnc(CNC(=O)[C@H](C)N)s1 ZINC000083889324 343505718 /nfs/dbraw/zinc/50/57/18/343505718.db2.gz BMVJAEFHYYUTQC-LURJTMIESA-N 0 3 213.306 0.669 20 0 BCADHN Cc1ccc(=O)n(C[C@@H](O)CN(C)C2CC2)n1 ZINC000310464553 343507477 /nfs/dbraw/zinc/50/74/77/343507477.db2.gz WRRHJBOOXJJWEB-NSHDSACASA-N 0 3 237.303 0.007 20 0 BCADHN Cc1nc(C)c(CCNC(=O)[C@H](C)N)s1 ZINC000083904955 343508988 /nfs/dbraw/zinc/50/89/88/343508988.db2.gz BKWWYYMFEMYBHV-LURJTMIESA-N 0 3 227.333 0.766 20 0 BCADHN CNCC(=O)N1CCc2cccc(F)c2C1 ZINC000083917493 343509045 /nfs/dbraw/zinc/50/90/45/343509045.db2.gz CMYFBDZKSFDLHC-UHFFFAOYSA-N 0 3 222.263 0.930 20 0 BCADHN NCC(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000083916648 343509102 /nfs/dbraw/zinc/50/91/02/343509102.db2.gz RSZWSFZIGKLMCB-LLVKDONJSA-N 0 3 220.272 0.625 20 0 BCADHN CCN(C#N)CCN[C@@H]1C[C@H](O)C12CCC2 ZINC000602898802 349815027 /nfs/dbraw/zinc/81/50/27/349815027.db2.gz XLQPUPXOCQPDKI-MNOVXSKESA-N 0 3 223.320 0.682 20 0 BCADHN CCN(C#N)CCN1C[C@H]2COC[C@@]2(C)C1 ZINC000602896724 349813680 /nfs/dbraw/zinc/81/36/80/349813680.db2.gz QSQBPXTUAYVHRB-NWDGAFQWSA-N 0 3 223.320 0.758 20 0 BCADHN CC(C(N)=O)S(=O)(=O)Cc1cccc(F)c1 ZINC000046108746 343540113 /nfs/dbraw/zinc/54/01/13/343540113.db2.gz LWQNQGFWOAQPTN-SSDOTTSWSA-N 0 3 245.275 0.614 20 0 BCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)C ZINC000046271863 343543730 /nfs/dbraw/zinc/54/37/30/343543730.db2.gz LTOPQEDVHGRWFO-VIFPVBQESA-N 0 3 237.303 0.065 20 0 BCADHN C[C@@H](O)CCNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000124259691 343546626 /nfs/dbraw/zinc/54/66/26/343546626.db2.gz SMGQXNNNFXOFRW-PWSUYJOCSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H](NC[C@@H]1CNCCO1)c1ccoc1 ZINC000580550946 365755201 /nfs/dbraw/zinc/75/52/01/365755201.db2.gz KQQRECLMVIMZKG-KOLCDFICSA-N 0 3 210.277 0.919 20 0 BCADHN COC[C@@H](O)CN(C)CCOCC1CC1 ZINC000083825860 343503009 /nfs/dbraw/zinc/50/30/09/343503009.db2.gz CVJRBYMMIVRWRV-NSHDSACASA-N 0 3 217.309 0.352 20 0 BCADHN NC1(C(=O)NCCc2ccncc2)CC1 ZINC000083834702 343503700 /nfs/dbraw/zinc/50/37/00/343503700.db2.gz OUXJIHXDOXTULV-UHFFFAOYSA-N 0 3 205.261 0.232 20 0 BCADHN CC(C)C(=O)NCCN[C@@H](C)c1cnn(C)c1 ZINC000044495052 343503744 /nfs/dbraw/zinc/50/37/44/343503744.db2.gz RPWMDYSNXMKSLM-JTQLQIEISA-N 0 3 238.335 0.843 20 0 BCADHN CSCC[C@@H](N)C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000379534534 343571760 /nfs/dbraw/zinc/57/17/60/343571760.db2.gz ACVKKIGUKXCBJB-HRDYMLBCSA-N 0 3 214.334 0.545 20 0 BCADHN CN1CCC(C(=O)N[C@H]2C[C@@](C)(O)C2)CC1 ZINC000622720600 343572176 /nfs/dbraw/zinc/57/21/76/343572176.db2.gz FSNLHCLNVRWYEL-KLPPZKSPSA-N 0 3 226.320 0.358 20 0 BCADHN CN(C)C1(CNC(=O)Cc2cncs2)CC1 ZINC000622721265 343574073 /nfs/dbraw/zinc/57/40/73/343574073.db2.gz JDMANURCTLMMLD-UHFFFAOYSA-N 0 3 239.344 0.896 20 0 BCADHN CN(C)C1(CNC(=O)CCn2ccnc2)CC1 ZINC000622721459 343574290 /nfs/dbraw/zinc/57/42/90/343574290.db2.gz RSDUCLLNDVXRFP-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN CN(C)C1(CNC(=O)CCc2cncnc2)CC1 ZINC000622721579 343574498 /nfs/dbraw/zinc/57/44/98/343574498.db2.gz XSYHABASYXJWGT-UHFFFAOYSA-N 0 3 248.330 0.620 20 0 BCADHN CC(C(=O)N1C[C@@H]2CCCC[C@@H]21)S(C)(=O)=O ZINC000616729327 343555413 /nfs/dbraw/zinc/55/54/13/343555413.db2.gz DUPDWGJRTDLBJI-UTLUCORTSA-N 0 3 245.344 0.821 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCc1[nH]cnc1C ZINC000379974841 365772214 /nfs/dbraw/zinc/77/22/14/365772214.db2.gz QASNIXBNGBQWRE-GMSGAONNSA-N 0 3 224.308 0.708 20 0 BCADHN 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CCS(=O)(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000247252453 343608436 /nfs/dbraw/zinc/60/84/36/343608436.db2.gz NPNWOSBRCIZNGF-NXEZZACHSA-N 0 3 232.349 0.505 20 0 BCADHN CCC[C@H]1CN(C(=O)[C@H](N)CC)CCO1 ZINC000152929050 343612087 /nfs/dbraw/zinc/61/20/87/343612087.db2.gz BFUGSWJMENAWFU-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN CC[C@@H](N)C(=O)N1CCCN(CC(F)F)CC1 ZINC000152938636 343612173 /nfs/dbraw/zinc/61/21/73/343612173.db2.gz JBRUUUMISGEVTB-SECBINFHSA-N 0 3 249.305 0.523 20 0 BCADHN CCN(C(=O)CNCCOC)C(C)C ZINC000086157922 343612193 /nfs/dbraw/zinc/61/21/93/343612193.db2.gz ZRFAWUBUMCCQBL-UHFFFAOYSA-N 0 3 202.298 0.479 20 0 BCADHN COCCNCC(=O)N(C)[C@H]1CCSC1 ZINC000086157938 343612725 /nfs/dbraw/zinc/61/27/25/343612725.db2.gz GFALAKPUTCNTMZ-VIFPVBQESA-N 0 3 232.349 0.186 20 0 BCADHN CCN(CC1CC1)C(=O)CNCCOC ZINC000086158313 343612936 /nfs/dbraw/zinc/61/29/36/343612936.db2.gz ZOLGSNJJWFNQQT-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN CSCCCN1CCN(C)C[C@@H]1CO ZINC000602905913 349818946 /nfs/dbraw/zinc/81/89/46/349818946.db2.gz VXQQEOLRRIEWKB-SNVBAGLBSA-N 0 3 218.366 0.348 20 0 BCADHN CCOC(=O)CN(C)C[C@H]1CCCN1C ZINC000086188988 343613838 /nfs/dbraw/zinc/61/38/38/343613838.db2.gz MLRYNJLBZALZMY-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CCOC(=O)[C@@H](C)N(C)C[C@@H]1CCCN1C ZINC000086189045 343613919 /nfs/dbraw/zinc/61/39/19/343613919.db2.gz ZVLGAKWOEIZREZ-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CCSCCN[C@@H]1CCS(=O)(=O)C1 ZINC000053616310 346949628 /nfs/dbraw/zinc/94/96/28/346949628.db2.gz HQGUVXLDWPSEBO-MRVPVSSYSA-N 0 3 223.363 0.516 20 0 BCADHN CCCN(C(=O)[C@@H](N)CCC(=O)OC)C1CC1 ZINC000518772416 259366659 /nfs/dbraw/zinc/36/66/59/259366659.db2.gz XYAOPFJOKPJYHL-JTQLQIEISA-N 0 3 242.319 0.668 20 0 BCADHN CCN1CCC(NC(=O)CN(C)C2CC2)CC1 ZINC000047915442 343645152 /nfs/dbraw/zinc/64/51/52/343645152.db2.gz XQIZGEXPBJODKK-UHFFFAOYSA-N 0 3 239.363 0.681 20 0 BCADHN COC(=O)[C@@]1(C)CN([C@H]2CCNC2=O)C[C@@H]1C ZINC000602930400 349822684 /nfs/dbraw/zinc/82/26/84/349822684.db2.gz DFDMHETWCVEYDR-AUTRQRHGSA-N 0 3 240.303 0.006 20 0 BCADHN c1cc(CNCCCn2cncn2)n[nH]1 ZINC000379796855 343629150 /nfs/dbraw/zinc/62/91/50/343629150.db2.gz KRANQHJDLWLJKP-UHFFFAOYSA-N 0 3 206.253 0.181 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC000492627872 529799972 /nfs/dbraw/zinc/79/99/72/529799972.db2.gz VSOHZESUSZBYOU-URWSZGRFSA-N 0 3 240.347 0.772 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)/C=C\C2CC2)C1 ZINC000492604950 529800277 /nfs/dbraw/zinc/80/02/77/529800277.db2.gz QTVYXQZKGTVUFN-QMAVJUDZSA-N 0 3 224.304 0.135 20 0 BCADHN COC(=O)c1[nH]c(C)cc1NC(=O)[C@@H](C)N ZINC000159221369 349828888 /nfs/dbraw/zinc/82/88/88/349828888.db2.gz JNYJYHJMMBQKSD-ZCFIWIBFSA-N 0 3 225.248 0.395 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@H]1CCCOCC1 ZINC000380100046 343679499 /nfs/dbraw/zinc/67/94/99/343679499.db2.gz IMXHBRRQISSQDL-WDEREUQCSA-N 0 3 242.319 0.050 20 0 BCADHN O=[N+]([O-])c1cnn(CCNC2CSC2)c1 ZINC000379949575 343659596 /nfs/dbraw/zinc/65/95/96/343659596.db2.gz SKXJZJPXDVYMNG-UHFFFAOYSA-N 0 3 228.277 0.496 20 0 BCADHN CC(C)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC000389248019 343662445 /nfs/dbraw/zinc/66/24/45/343662445.db2.gz MENWWFMJQPPIID-SNVBAGLBSA-N 0 3 231.303 0.665 20 0 BCADHN CN1CC[C@@H](NC(=O)OC2CCOCC2)C1 ZINC000496544890 529795682 /nfs/dbraw/zinc/79/56/82/529795682.db2.gz CLOUBCHBPXZJFK-SECBINFHSA-N 0 3 228.292 0.596 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCCOCC1 ZINC000336252206 537799804 /nfs/dbraw/zinc/79/98/04/537799804.db2.gz COTAQWFXSAKRBQ-JTQLQIEISA-N 0 3 229.324 0.368 20 0 BCADHN CN1CC[C@H](NC(=O)OC2CCOCC2)C1 ZINC000496544891 529805958 /nfs/dbraw/zinc/80/59/58/529805958.db2.gz CLOUBCHBPXZJFK-VIFPVBQESA-N 0 3 228.292 0.596 20 0 BCADHN NC1(C(=O)NC[C@H]2CCCCO2)CCC1 ZINC000088050893 343698130 /nfs/dbraw/zinc/69/81/30/343698130.db2.gz XCTDPGFJGGDRJR-SECBINFHSA-N 0 3 212.293 0.553 20 0 BCADHN CC[C@@H]1CCCN(CC(=O)N2CCOCC2)C1 ZINC000048058714 343706964 /nfs/dbraw/zinc/70/69/64/343706964.db2.gz JNWAENCQXXOWGK-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN C([C@@H]1CCCO1)N1CCN(C2CC2)CC1 ZINC000126081277 343738637 /nfs/dbraw/zinc/73/86/37/343738637.db2.gz TXYKVZSNZIFEEO-LBPRGKRZSA-N 0 3 210.321 0.945 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@@H](N)CC(F)F ZINC000309057039 346958912 /nfs/dbraw/zinc/95/89/12/346958912.db2.gz TWSFTDQHQOMRSU-RQJHMYQMSA-N 0 3 224.251 0.246 20 0 BCADHN CN1C[C@H](CN(CCCCO)C2CC2)OC1=O ZINC000495728315 529825363 /nfs/dbraw/zinc/82/53/63/529825363.db2.gz LIZFAAGWZJDLHA-LLVKDONJSA-N 0 3 242.319 0.674 20 0 BCADHN O=C(C[C@@H]1CCCO1)NCCNc1ccncc1 ZINC000533811963 343712039 /nfs/dbraw/zinc/71/20/39/343712039.db2.gz NZHBEFNTUPSOHS-LBPRGKRZSA-N 0 3 249.314 0.601 20 0 BCADHN CN1C[C@H](CN2CCN(C)C(C)(C)C2)OC1=O ZINC000496173974 529825682 /nfs/dbraw/zinc/82/56/82/529825682.db2.gz VSUOIYJZJDXUBW-SNVBAGLBSA-N 0 3 241.335 0.463 20 0 BCADHN CN1C[C@H](CN2C[C@H]3CCC[C@@H]32)OC1=O ZINC000496061229 529826011 /nfs/dbraw/zinc/82/60/11/529826011.db2.gz MARBOWWDKFZTPS-BBBLOLIVSA-N 0 3 210.277 0.921 20 0 BCADHN CN1C[C@H](CN2CC[C@@H]3OCC[C@@H]3C2)OC1=O ZINC000496114846 529826030 /nfs/dbraw/zinc/82/60/30/529826030.db2.gz MHSGFMGZDGOLSC-MXWKQRLJSA-N 0 3 240.303 0.548 20 0 BCADHN CN1C[C@H](CN2C[C@@H](O)C(C)(C)C2)OC1=O ZINC000495662376 529826122 /nfs/dbraw/zinc/82/61/22/529826122.db2.gz SHPWKMZCPQXRDX-RKDXNWHRSA-N 0 3 228.292 0.140 20 0 BCADHN O=C(CNC1CC1)NCc1ccccc1CO ZINC000154298469 343713726 /nfs/dbraw/zinc/71/37/26/343713726.db2.gz HVCZPSZVORTKBM-UHFFFAOYSA-N 0 3 234.299 0.547 20 0 BCADHN C[C@@]1(CNC(=O)CNC2CC2)CCCC[C@@H]1O ZINC000154451073 343715614 /nfs/dbraw/zinc/71/56/14/343715614.db2.gz TVLRFVYLVSSVDA-AAEUAGOBSA-N 0 3 240.347 0.796 20 0 BCADHN CN(C)S(=O)(=O)NC[C@H]1CCCCN(C)C1 ZINC000625421371 343722891 /nfs/dbraw/zinc/72/28/91/343722891.db2.gz WGUZTEGGZUWVKR-SNVBAGLBSA-N 0 3 249.380 0.114 20 0 BCADHN CN1C[C@@H](CN2CCC[C@@](C)(O)C2)OC1=O ZINC000496772688 529817587 /nfs/dbraw/zinc/81/75/87/529817587.db2.gz NFQKRGRSAYGYQM-GXSJLCMTSA-N 0 3 228.292 0.284 20 0 BCADHN CN1C[C@@H](CN[C@H]2CCOC2(C)C)OC1=O ZINC000496189773 529818257 /nfs/dbraw/zinc/81/82/57/529818257.db2.gz YMZYARJZBNRSNH-BDAKNGLRSA-N 0 3 228.292 0.594 20 0 BCADHN CCCN(CC(N)=O)C[C@@H](OCC)C1CC1 ZINC000625446269 343767664 /nfs/dbraw/zinc/76/76/64/343767664.db2.gz JBZMBISVCQPNPJ-LLVKDONJSA-N 0 3 228.336 0.999 20 0 BCADHN Cn1nncc1CN1CCN(C)C(C)(C)C1 ZINC000584180391 343770157 /nfs/dbraw/zinc/77/01/57/343770157.db2.gz LYEHCKDQOAIPKC-UHFFFAOYSA-N 0 3 223.324 0.341 20 0 BCADHN CCN(C)CCNC(=O)CC(F)(F)CN ZINC000584179897 343770287 /nfs/dbraw/zinc/77/02/87/343770287.db2.gz ICHALZKXZCBLLW-UHFFFAOYSA-N 0 3 223.267 0.038 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCC[C@H]1CCO ZINC000187909052 259370999 /nfs/dbraw/zinc/37/09/99/259370999.db2.gz FRCQRTYYLNPJTL-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1nnc([C@H]2CCCN(C(=O)[C@H]3CC[NH2+]3)C2)[n-]1 ZINC000584229996 343775874 /nfs/dbraw/zinc/77/58/74/343775874.db2.gz DKOVRESGMITJAJ-VHSXEESVSA-N 0 3 249.318 0.181 20 0 BCADHN CCOC[C@H](C)N[C@H](C)CS(=O)(=O)CC ZINC000089638861 343748024 /nfs/dbraw/zinc/74/80/24/343748024.db2.gz DBULTLSREZXPET-VHSXEESVSA-N 0 3 237.365 0.824 20 0 BCADHN CCOC[C@H](C)N[C@@H](C)CS(=O)(=O)CC ZINC000089638855 343748069 /nfs/dbraw/zinc/74/80/69/343748069.db2.gz DBULTLSREZXPET-UWVGGRQHSA-N 0 3 237.365 0.824 20 0 BCADHN C[C@@H](NC[C@H]1CCCCS1(=O)=O)[C@H](C)O ZINC000570391139 323058100 /nfs/dbraw/zinc/05/81/00/323058100.db2.gz WJOMRXSUIFTFIO-KXUCPTDWSA-N 0 3 235.349 0.313 20 0 BCADHN CCOC[C@H](C)NCC(=O)NCc1ccco1 ZINC000128177118 343761450 /nfs/dbraw/zinc/76/14/50/343761450.db2.gz GLMFBNZVDXWTDL-JTQLQIEISA-N 0 3 240.303 0.910 20 0 BCADHN Cn1cc(CCN2CC[C@@H](n3cccn3)C2)nn1 ZINC000625444737 343762546 /nfs/dbraw/zinc/76/25/46/343762546.db2.gz PCDDWJSZPONNTH-GFCCVEGCSA-N 0 3 246.318 0.501 20 0 BCADHN CC(C)(C)C(F)(F)CNc1nc(N)nc(N)n1 ZINC000624410287 343763470 /nfs/dbraw/zinc/76/34/70/343763470.db2.gz NOCXKXIZZBXVBP-UHFFFAOYSA-N 0 3 246.265 0.212 20 0 BCADHN COCCN(CCC(=O)OC)C[C@H]1CCCO1 ZINC000096537544 343764106 /nfs/dbraw/zinc/76/41/06/343764106.db2.gz CEJZXFKAWQKCQT-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN COC1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC000051155212 346965923 /nfs/dbraw/zinc/96/59/23/346965923.db2.gz JOYZAYSTMCBQBU-UHFFFAOYSA-N 0 3 236.315 0.996 20 0 BCADHN COC[C@@H](C)N1CCN(c2ncc[nH]2)CC1 ZINC000584149650 343765654 /nfs/dbraw/zinc/76/56/54/343765654.db2.gz HFIKRKTUUWXORM-SNVBAGLBSA-N 0 3 224.308 0.567 20 0 BCADHN CCN(CCc1cn(C)nn1)[C@@H]1CCOC1 ZINC000625445578 343767155 /nfs/dbraw/zinc/76/71/55/343767155.db2.gz YJUVPXFXOWIJDG-LLVKDONJSA-N 0 3 224.308 0.468 20 0 BCADHN CC(C)OC(=O)CCN1C[C@H]2C[C@@]2(O)C1 ZINC000603094790 349868207 /nfs/dbraw/zinc/86/82/07/349868207.db2.gz WYFWZUMBGOOFCU-MWLCHTKSSA-N 0 3 213.277 0.395 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2cn(C)cn2)C1 ZINC000179338989 346981310 /nfs/dbraw/zinc/98/13/10/346981310.db2.gz XXUFFCFYALVVGX-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN CC[C@H](N[C@@H]1CSC[C@H]1C)C(N)=O ZINC000336655149 537821381 /nfs/dbraw/zinc/82/13/81/537821381.db2.gz OLEIDRFBRYNWJQ-GJMOJQLCSA-N 0 3 202.323 0.591 20 0 BCADHN CN(CCCCCO)C[C@H]1CN(C)C(=O)O1 ZINC000495590869 529882120 /nfs/dbraw/zinc/88/21/20/529882120.db2.gz DZSUUMXEVPUUPW-JTQLQIEISA-N 0 3 230.308 0.531 20 0 BCADHN C[C@H]1CCCCN(CC(=O)N2CCOCC2)C1 ZINC000187913864 259371136 /nfs/dbraw/zinc/37/11/36/259371136.db2.gz HIRCEHILEPVPGZ-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN C[C@@H](CNC(=O)c1cn(C)nn1)N1CCCC1 ZINC000570482596 323060748 /nfs/dbraw/zinc/06/07/48/323060748.db2.gz RUMQEYRBHRZALI-VIFPVBQESA-N 0 3 237.307 0.029 20 0 BCADHN CSC[C@H](O)CN1CCC(C)(O)CC1 ZINC000187942002 259371210 /nfs/dbraw/zinc/37/12/10/259371210.db2.gz NEMFGWLDKAWHED-SECBINFHSA-N 0 3 219.350 0.557 20 0 BCADHN CCCNC(=O)CN(C)[C@]1(CO)CC[C@H](C)C1 ZINC000187920538 259371295 /nfs/dbraw/zinc/37/12/95/259371295.db2.gz HHEABNXMVKYHHK-WCQYABFASA-N 0 3 242.363 0.996 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCC[C@@H]1CCO ZINC000187909025 259371465 /nfs/dbraw/zinc/37/14/65/259371465.db2.gz FRCQRTYYLNPJTL-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](CCNC1CSC1)[S@@](C)=O ZINC000393339425 343835075 /nfs/dbraw/zinc/83/50/75/343835075.db2.gz TXKQNBHWXIVNFF-JMCQJSRRSA-N 0 3 207.364 0.849 20 0 BCADHN CC(C)OCCN1CCN(c2ncc[nH]2)CC1 ZINC000683895050 488238303 /nfs/dbraw/zinc/23/83/03/488238303.db2.gz ACMXVAYFGGZIOY-UHFFFAOYSA-N 0 3 238.335 0.957 20 0 BCADHN CNC(=O)OC[C@@H]1CCCCN1CC[C@@H](C)O ZINC000496610104 529892446 /nfs/dbraw/zinc/89/24/46/529892446.db2.gz YIDHLRTUFZSJRJ-MNOVXSKESA-N 0 3 244.335 0.968 20 0 BCADHN CN(CCCO)C(=O)CC1CCN(C)CC1 ZINC000488566050 529892723 /nfs/dbraw/zinc/89/27/23/529892723.db2.gz NFERTMPWDFLUSX-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN CN(CCNCCC(N)=O)C(=O)OC(C)(C)C ZINC000497018932 529917158 /nfs/dbraw/zinc/91/71/58/529917158.db2.gz RVGZBLVRVMEKPX-UHFFFAOYSA-N 0 3 245.323 0.318 20 0 BCADHN CN(CCO)C(=O)[C@@H]1CCCN1C1CC1 ZINC000494195486 529919442 /nfs/dbraw/zinc/91/94/42/529919442.db2.gz PGMSCKNWHISHRB-JTQLQIEISA-N 0 3 212.293 0.064 20 0 BCADHN C[C@H](NCCCn1ccnn1)c1ncc[nH]1 ZINC000336727586 537828997 /nfs/dbraw/zinc/82/89/97/537828997.db2.gz CATROCGMJIDVFY-VIFPVBQESA-N 0 3 220.280 0.742 20 0 BCADHN COc1cncc(CN2C[C@@H]3CCN(C)[C@@H]3C2)n1 ZINC000625459580 343862861 /nfs/dbraw/zinc/86/28/61/343862861.db2.gz MILAXBBXLFEINN-CMPLNLGQSA-N 0 3 248.330 0.621 20 0 BCADHN Cc1nccnc1CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000621722181 343868266 /nfs/dbraw/zinc/86/82/66/343868266.db2.gz NPPDOHDTUVBXLX-GHMZBOCLSA-N 0 3 248.330 0.919 20 0 BCADHN C[C@@H]1CCN(C(=O)NC[C@H]2CNCCO2)[C@@H]1C ZINC000418770509 192067061 /nfs/dbraw/zinc/06/70/61/192067061.db2.gz QWOLVXOBVHVMNY-GMTAPVOTSA-N 0 3 241.335 0.415 20 0 BCADHN COC[C@@H]1CCCCN1CCc1cn(C)nn1 ZINC000625464981 343871185 /nfs/dbraw/zinc/87/11/85/343871185.db2.gz VXLAURZLBQTOFO-LBPRGKRZSA-N 0 3 238.335 0.859 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCCOC1CCOCC1 ZINC000625468411 343872474 /nfs/dbraw/zinc/87/24/74/343872474.db2.gz MMBFEJQPPOVYMD-NWDGAFQWSA-N 0 3 245.319 0.185 20 0 BCADHN CC[C@H](N)c1cn([C@@H](CC)C(=O)OC)nn1 ZINC000603189159 349881956 /nfs/dbraw/zinc/88/19/56/349881956.db2.gz ISCKRBCAHCMXPD-CBAPKCEASA-N 0 3 226.280 0.812 20 0 BCADHN CC[C@@H](N)c1cn([C@@H](CC)C(=O)OC)nn1 ZINC000603189158 349882255 /nfs/dbraw/zinc/88/22/55/349882255.db2.gz ISCKRBCAHCMXPD-APPZFPTMSA-N 0 3 226.280 0.812 20 0 BCADHN O[C@@H](CN1C[C@@H]2C[C@H]1CS2)CC1(O)CCC1 ZINC000625468885 343873884 /nfs/dbraw/zinc/87/38/84/343873884.db2.gz XAGKGTJDRCAUKT-AXFHLTTASA-N 0 3 243.372 0.842 20 0 BCADHN CC(C)(F)CNC[C@@H](O)CC1(O)CCOCC1 ZINC000634723421 343886964 /nfs/dbraw/zinc/88/69/64/343886964.db2.gz PZLXJZSUDZAKHB-JTQLQIEISA-N 0 3 249.326 0.617 20 0 BCADHN CC(C)[C@H](C(=O)N1CCC2(COC2)C1)N(C)C ZINC000620291419 343900014 /nfs/dbraw/zinc/90/00/14/343900014.db2.gz NRALQROVCKJUKG-LLVKDONJSA-N 0 3 240.347 0.822 20 0 BCADHN CN(C[C@@H](O)C(F)(F)F)[C@@H]1CCC[C@H]1O ZINC000511606836 529941636 /nfs/dbraw/zinc/94/16/36/529941636.db2.gz YDELRCAKRINJCO-BWZBUEFSSA-N 0 3 227.226 0.755 20 0 BCADHN Cn1cc(CCN[C@H]2CCn3ccnc32)cn1 ZINC000345355674 343907775 /nfs/dbraw/zinc/90/77/75/343907775.db2.gz SWJJLWIUPXQHDI-NSHDSACASA-N 0 3 231.303 0.894 20 0 BCADHN CN[C@@H](C)c1cn(Cc2nnc(C(C)C)[nH]2)nn1 ZINC000641170522 362253011 /nfs/dbraw/zinc/25/30/11/362253011.db2.gz BEAZJJBQFKCDSM-QMMMGPOBSA-N 0 3 249.322 0.848 20 0 BCADHN CN[C@@H](C)c1cn(Cc2n[nH]c(C(C)C)n2)nn1 ZINC000641170522 362253017 /nfs/dbraw/zinc/25/30/17/362253017.db2.gz BEAZJJBQFKCDSM-QMMMGPOBSA-N 0 3 249.322 0.848 20 0 BCADHN COc1cncc(CN[C@H](CO)C2CCC2)n1 ZINC000625530704 343920051 /nfs/dbraw/zinc/92/00/51/343920051.db2.gz GCTQFLIZQGPDPZ-LLVKDONJSA-N 0 3 237.303 0.736 20 0 BCADHN CCNCc1cn([C@H](C)c2n[nH]c(C)n2)nn1 ZINC000641179118 362256135 /nfs/dbraw/zinc/25/61/35/362256135.db2.gz FSVZUDBEMHACAK-SSDOTTSWSA-N 0 3 235.295 0.423 20 0 BCADHN CCNCc1cn([C@H](C)c2nnc(C)[nH]2)nn1 ZINC000641179118 362256138 /nfs/dbraw/zinc/25/61/38/362256138.db2.gz FSVZUDBEMHACAK-SSDOTTSWSA-N 0 3 235.295 0.423 20 0 BCADHN CN[C@H](C)c1cn([C@@H](C)c2n[nH]c(C)n2)nn1 ZINC000641178739 362256882 /nfs/dbraw/zinc/25/68/82/362256882.db2.gz ASHIQQKWXBIMEQ-RQJHMYQMSA-N 0 3 235.295 0.594 20 0 BCADHN CN[C@H](C)c1cn([C@@H](C)c2nnc(C)[nH]2)nn1 ZINC000641178739 362256887 /nfs/dbraw/zinc/25/68/87/362256887.db2.gz ASHIQQKWXBIMEQ-RQJHMYQMSA-N 0 3 235.295 0.594 20 0 BCADHN OCC1(NCc2c[nH]c3nccnc23)CC1 ZINC000393790094 343929170 /nfs/dbraw/zinc/92/91/70/343929170.db2.gz LFQGUQSNWVBTKT-UHFFFAOYSA-N 0 3 218.260 0.524 20 0 BCADHN CCN(C)C[C@H](O)CN1CCC(=O)[C@@H](C)C1 ZINC000381069086 343931385 /nfs/dbraw/zinc/93/13/85/343931385.db2.gz NQKRHHCPIGSRMA-QWRGUYRKSA-N 0 3 228.336 0.210 20 0 BCADHN C[C@@H](O)Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000641191642 362267578 /nfs/dbraw/zinc/26/75/78/362267578.db2.gz VZQRMKGXOQMIAJ-APPZFPTMSA-N 0 3 212.297 0.705 20 0 BCADHN CCc1nc([C@H](C)n2cc(CNC)nn2)n[nH]1 ZINC000641203344 362268813 /nfs/dbraw/zinc/26/88/13/362268813.db2.gz FEPFXILLCHMHSW-ZETCQYMHSA-N 0 3 235.295 0.287 20 0 BCADHN CCc1nnc([C@H](C)n2cc(CNC)nn2)[nH]1 ZINC000641203344 362268819 /nfs/dbraw/zinc/26/88/19/362268819.db2.gz FEPFXILLCHMHSW-ZETCQYMHSA-N 0 3 235.295 0.287 20 0 BCADHN CCc1nc([C@H](C)n2cc([C@@H](N)CC)nn2)n[nH]1 ZINC000641205051 362269522 /nfs/dbraw/zinc/26/95/22/362269522.db2.gz GZRVAVFWZSVILO-YUMQZZPRSA-N 0 3 249.322 0.978 20 0 BCADHN NCc1cn(C[C@H](O)Cc2ccccc2)nn1 ZINC000641209657 362270882 /nfs/dbraw/zinc/27/08/82/362270882.db2.gz AECMBGZPDLHFRS-GFCCVEGCSA-N 0 3 232.287 0.340 20 0 BCADHN CCc1nc([C@H](C)n2cc([C@@H](C)NC)nn2)n[nH]1 ZINC000641210629 362272970 /nfs/dbraw/zinc/27/29/70/362272970.db2.gz YIKMBJUMSAOLJD-SFYZADRCSA-N 0 3 249.322 0.848 20 0 BCADHN CCc1nnc([C@H](C)n2cc([C@@H](C)NC)nn2)[nH]1 ZINC000641210629 362272976 /nfs/dbraw/zinc/27/29/76/362272976.db2.gz YIKMBJUMSAOLJD-SFYZADRCSA-N 0 3 249.322 0.848 20 0 BCADHN NC(=O)CCN[C@H]1CCCn2nccc21 ZINC000634730443 344045929 /nfs/dbraw/zinc/04/59/29/344045929.db2.gz GWXVJDYKGAUVQT-QMMMGPOBSA-N 0 3 208.265 0.183 20 0 BCADHN CC[C@@H](N)c1cn(C[C@]2(O)CCCOC2)nn1 ZINC000641217849 362278035 /nfs/dbraw/zinc/27/80/35/362278035.db2.gz QDXFNFOFEXPTEH-MWLCHTKSSA-N 0 3 240.307 0.229 20 0 BCADHN CC[C@@H](N)c1cn(CC2(O)CCC2)nn1 ZINC000641215995 362278944 /nfs/dbraw/zinc/27/89/44/362278944.db2.gz CWVDBBQBZRVMIF-MRVPVSSYSA-N 0 3 210.281 0.603 20 0 BCADHN CCC[C@H](N)c1cn(C[C@@](C)(O)C(C)=O)nn1 ZINC000641216319 362279459 /nfs/dbraw/zinc/27/94/59/362279459.db2.gz GAWVJZVEMKFOHG-GXSJLCMTSA-N 0 3 240.307 0.418 20 0 BCADHN CCC(=O)c1cn(C[C@@H](O)CN(C)CC)nn1 ZINC000641222061 362282353 /nfs/dbraw/zinc/28/23/53/362282353.db2.gz JVGAFRKDVIZRCN-VIFPVBQESA-N 0 3 240.307 0.183 20 0 BCADHN CCOCC[C@H](O)Cn1cc([C@H](N)CC)nn1 ZINC000641226551 362283221 /nfs/dbraw/zinc/28/32/21/362283221.db2.gz LNCFBNYPZLWFJI-VHSXEESVSA-N 0 3 242.323 0.475 20 0 BCADHN C(c1nnnn1C1CC1)N1CCN2CCC[C@@H]2C1 ZINC000328640722 537837679 /nfs/dbraw/zinc/83/76/79/537837679.db2.gz FEVVAWNSNRUFEO-LLVKDONJSA-N 0 3 248.334 0.288 20 0 BCADHN C[C@H](C(=O)NC1CC1)N(C)CC1(C)COC1 ZINC000625787767 344074567 /nfs/dbraw/zinc/07/45/67/344074567.db2.gz GVNVCOGCTJNLJY-SECBINFHSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000129852527 344075272 /nfs/dbraw/zinc/07/52/72/344075272.db2.gz IRWLVQDHVBPGOC-GXSJLCMTSA-N 0 3 249.314 0.867 20 0 BCADHN CC(C)N(C)C(=O)CN1CCC[C@H](O)CC1 ZINC000335911823 192068292 /nfs/dbraw/zinc/06/82/92/192068292.db2.gz DJOLUAWAMIQJOQ-NSHDSACASA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625773826 344070080 /nfs/dbraw/zinc/07/00/80/344070080.db2.gz UYSXAUNSJZKCER-HLTSFMKQSA-N 0 3 214.334 0.830 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)[C@H](N)CC ZINC000129841395 344073059 /nfs/dbraw/zinc/07/30/59/344073059.db2.gz XOBLRGBICQFXJZ-HLTSFMKQSA-N 0 3 202.298 0.247 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H](C)C[C@@H](C)O ZINC000130008909 344102508 /nfs/dbraw/zinc/10/25/08/344102508.db2.gz JEPPGQAJQYHORS-DJLDLDEBSA-N 0 3 202.298 0.247 20 0 BCADHN CC[C@@H](N)C(=O)NCCCOC[C@H]1CCOC1 ZINC000130011690 344102910 /nfs/dbraw/zinc/10/29/10/344102910.db2.gz BFQVRJACCYSMLZ-GHMZBOCLSA-N 0 3 244.335 0.283 20 0 BCADHN C[C@@H](N[C@@H]1CCCOC1)C1(S(C)(=O)=O)CC1 ZINC000336749599 537840247 /nfs/dbraw/zinc/84/02/47/537840247.db2.gz UGIMBGURHMBFPY-NXEZZACHSA-N 0 3 247.360 0.721 20 0 BCADHN CCOC(=O)[C@@H](NC(=O)[C@H](N)CC)[C@@H](C)CC ZINC000130091889 344111573 /nfs/dbraw/zinc/11/15/73/344111573.db2.gz YISGLSMEHFIWLZ-AEJSXWLSSA-N 0 3 244.335 0.818 20 0 BCADHN CC(C)N1CC[C@H](N(C)CC2(C)COC2)C1=O ZINC000625789631 344077584 /nfs/dbraw/zinc/07/75/84/344077584.db2.gz HDXWCLQDGYUTKU-NSHDSACASA-N 0 3 240.347 0.964 20 0 BCADHN CN(C[C@@H]1CN(C)C(=O)O1)[C@@H]1CCC[C@H]1O ZINC000495733271 529957243 /nfs/dbraw/zinc/95/72/43/529957243.db2.gz ZSCGDMINWDRHIR-OPRDCNLKSA-N 0 3 228.292 0.282 20 0 BCADHN CSC[C@H](O)Cn1cc(CCN(C)C)nn1 ZINC000603260657 349902136 /nfs/dbraw/zinc/90/21/36/349902136.db2.gz PQRUCFYCBJPCDV-SNVBAGLBSA-N 0 3 244.364 0.106 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H]1CC[C@@H](OC)C1 ZINC000233354408 344087355 /nfs/dbraw/zinc/08/73/55/344087355.db2.gz SHGQKJIDDMWSSQ-AEJSXWLSSA-N 0 3 214.309 0.798 20 0 BCADHN O=C1CNC(=O)N1CCN(C1CC1)C1CC1 ZINC000625837591 344089782 /nfs/dbraw/zinc/08/97/82/344089782.db2.gz LIRHSZWASORYEA-UHFFFAOYSA-N 0 3 223.276 0.165 20 0 BCADHN CN(C)C(=O)CN[C@]1(CO)CCCC(C)(C)C1 ZINC000625832692 344091556 /nfs/dbraw/zinc/09/15/56/344091556.db2.gz IJQJSWANTKKWRD-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1CCCOCC1 ZINC000306288141 344099332 /nfs/dbraw/zinc/09/93/32/344099332.db2.gz LZNMFYQNDOAICP-MRVPVSSYSA-N 0 3 200.282 0.409 20 0 BCADHN C[C@@H](O)CCN(C)[C@@H]1CCCCN(C)C1=O ZINC000634744032 344164795 /nfs/dbraw/zinc/16/47/95/344164795.db2.gz LZZLHDLCDFLGKO-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H](CCO)CC(C)C ZINC000130187650 344120856 /nfs/dbraw/zinc/12/08/56/344120856.db2.gz MCLGFLNGYWTKPP-WDEREUQCSA-N 0 3 230.352 0.885 20 0 BCADHN CC(C)N1CC[C@@H](Nc2cc(C(N)=O)ncn2)C1 ZINC000641311944 362358550 /nfs/dbraw/zinc/35/85/50/362358550.db2.gz UIEYUEVEVRGPKG-SECBINFHSA-N 0 3 249.318 0.470 20 0 BCADHN Cc1nn(C)cc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634746027 344175976 /nfs/dbraw/zinc/17/59/76/344175976.db2.gz CTYUAYWGEFGFEK-TXEJJXNPSA-N 0 3 221.304 0.807 20 0 BCADHN CC[C@H](N)c1cn(C[C@@H](O)CSC)nn1 ZINC000603262634 349902874 /nfs/dbraw/zinc/90/28/74/349902874.db2.gz WLNVBDVNEKZXEC-SFYZADRCSA-N 0 3 230.337 0.412 20 0 BCADHN NC(=O)c1cccc(CN2C[C@@H]3COC[C@@H]3C2)c1 ZINC000634746295 344177313 /nfs/dbraw/zinc/17/73/13/344177313.db2.gz OFYLGZUYBCKPNP-BETUJISGSA-N 0 3 246.310 0.864 20 0 BCADHN C/C=C\CNC(=O)NCCCN(C)CCOC ZINC000623709814 344149211 /nfs/dbraw/zinc/14/92/11/344149211.db2.gz JMQSUBDJDQHLCF-PLNGDYQASA-N 0 3 243.351 0.830 20 0 BCADHN CN(C)c1ncc(CN2C[C@@H]3COC[C@@H]3C2)cn1 ZINC000634746922 344177418 /nfs/dbraw/zinc/17/74/18/344177418.db2.gz QQHYIZVGZGDMRO-TXEJJXNPSA-N 0 3 248.330 0.621 20 0 BCADHN COC(=O)c1ccnc(N(C)CCN(C)C)c1 ZINC000234580495 344153926 /nfs/dbraw/zinc/15/39/26/344153926.db2.gz YBCKFGWBNZSGMJ-UHFFFAOYSA-N 0 3 237.303 0.866 20 0 BCADHN CSCCCCNC(=O)COC1(C)CNC1 ZINC000165849382 344156091 /nfs/dbraw/zinc/15/60/91/344156091.db2.gz QYQWRMLWABLCKU-UHFFFAOYSA-N 0 3 246.376 0.624 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2CCCS(=O)(=O)C2)[C@H](C)O1 ZINC000384895529 344216169 /nfs/dbraw/zinc/21/61/69/344216169.db2.gz MIKKKQMFJJHYJV-RCWTZXSCSA-N 0 3 247.360 0.719 20 0 BCADHN CCOC(=O)[C@@H](C)CNC(=O)[C@H](N)CC ZINC000129896131 344216668 /nfs/dbraw/zinc/21/66/68/344216668.db2.gz FSHGTDDOEHWRAU-JGVFFNPUSA-N 0 3 216.281 0.039 20 0 BCADHN CC[C@@H](N)C(=O)NCC(C)(C)C[C@H](C)O ZINC000130042298 344217962 /nfs/dbraw/zinc/21/79/62/344217962.db2.gz HQKHSWXCWAGSBD-DTWKUNHWSA-N 0 3 216.325 0.637 20 0 BCADHN C[C@@H](C(=O)N1CCN(C)[C@H](C)[C@@H]1C)N(C)C ZINC000678430465 488255736 /nfs/dbraw/zinc/25/57/36/488255736.db2.gz QPMSBYNXPYIDIV-VWYCJHECSA-N 0 3 227.352 0.488 20 0 BCADHN C[C@H](CO)CN1CCO[C@H](C(F)F)CC1 ZINC000634757075 344220793 /nfs/dbraw/zinc/22/07/93/344220793.db2.gz KZWZVCDDLVGQDQ-IUCAKERBSA-N 0 3 223.263 0.971 20 0 BCADHN C[C@@H](CC[S@](C)=O)NCc1ccnn1C ZINC000131276097 344230165 /nfs/dbraw/zinc/23/01/65/344230165.db2.gz ARLFLZBDUHSGEC-BJOHPYRUSA-N 0 3 229.349 0.667 20 0 BCADHN CNC(=O)CCN1CCO[C@@H](C(F)F)CC1 ZINC000634750917 344202093 /nfs/dbraw/zinc/20/20/93/344202093.db2.gz HWBMTYPRZQOKPZ-MRVPVSSYSA-N 0 3 236.262 0.479 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000408246843 344270824 /nfs/dbraw/zinc/27/08/24/344270824.db2.gz PQHNKPRUGDUIHV-KOLCDFICSA-N 0 3 241.335 0.064 20 0 BCADHN CC(C)(C)NC(=O)CN[C@@H]1CCSC1 ZINC000132291641 344297566 /nfs/dbraw/zinc/29/75/66/344297566.db2.gz KJOCPMYANDDOKA-MRVPVSSYSA-N 0 3 216.350 0.996 20 0 BCADHN CCC[C@@](C)(O)CN[C@H](C)CS(C)(=O)=O ZINC000132169333 344281018 /nfs/dbraw/zinc/28/10/18/344281018.db2.gz ZENPOOYPCVCUTH-NXEZZACHSA-N 0 3 237.365 0.560 20 0 BCADHN CC[C@H](C)[C@H](O)CN[C@@H](C)CS(C)(=O)=O ZINC000132172966 344281516 /nfs/dbraw/zinc/28/15/16/344281516.db2.gz QEORWBLMUOJJBH-LPEHRKFASA-N 0 3 237.365 0.416 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H](C)[C@@H](C)OC ZINC000132188646 344282334 /nfs/dbraw/zinc/28/23/34/344282334.db2.gz UQDGNMWPDXNOTQ-XHNCKOQMSA-N 0 3 202.298 0.524 20 0 BCADHN N[C@@H](C(=O)N1C[C@@H]2COC[C@@H]2C1)C1CCC1 ZINC000634773576 344292486 /nfs/dbraw/zinc/29/24/86/344292486.db2.gz ITUOEBCRIOOGQH-OUAUKWLOSA-N 0 3 224.304 0.219 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634773821 344292681 /nfs/dbraw/zinc/29/26/81/344292681.db2.gz RRURUNDTSOVMKM-WYUUTHIRSA-N 0 3 238.331 0.479 20 0 BCADHN Cc1nc(CN2C[C@@H]3COC[C@@H]3C2)n[nH]1 ZINC000634779253 344311588 /nfs/dbraw/zinc/31/15/88/344311588.db2.gz JQXDHTYWYJLBAI-DTORHVGOSA-N 0 3 208.265 0.191 20 0 BCADHN O[C@@H](CN1C[C@@H]2COC[C@@H]2C1)CC(F)(F)F ZINC000634780005 344315984 /nfs/dbraw/zinc/31/59/84/344315984.db2.gz OXWLZUBXECRDES-HRDYMLBCSA-N 0 3 239.237 0.878 20 0 BCADHN CCCN(CC(=O)NCC(=O)OC)CC1CC1 ZINC000176109664 344317742 /nfs/dbraw/zinc/31/77/42/344317742.db2.gz IZOHXOKHIYXAJA-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN CCN1CCCN(C(=O)COC)CC1 ZINC000133466152 344319052 /nfs/dbraw/zinc/31/90/52/344319052.db2.gz YYQMBFAJLBULMX-UHFFFAOYSA-N 0 3 200.282 0.187 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634782199 344324229 /nfs/dbraw/zinc/32/42/29/344324229.db2.gz FCXJNWLMGZSVKP-WHOHXGKFSA-N 0 3 240.347 0.868 20 0 BCADHN CCCCNC(=O)[C@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634782119 344324740 /nfs/dbraw/zinc/32/47/40/344324740.db2.gz BZQOYQAHHNDYSB-SDDRHHMPSA-N 0 3 240.347 0.869 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634782721 344325176 /nfs/dbraw/zinc/32/51/76/344325176.db2.gz XZIWEQAFXNYUFF-GARJFASQSA-N 0 3 226.320 0.479 20 0 BCADHN CC(C)CNC(=O)[C@@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634782477 344325271 /nfs/dbraw/zinc/32/52/71/344325271.db2.gz PKQDSBLQSCEQNC-UTUOFQBUSA-N 0 3 240.347 0.725 20 0 BCADHN CC(C)[C@@H](C)NC(=O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634783501 344327452 /nfs/dbraw/zinc/32/74/52/344327452.db2.gz DCFXRQIWCAUOCE-UTUOFQBUSA-N 0 3 240.347 0.725 20 0 BCADHN CC[C@H](C)NC(=O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634783583 344327851 /nfs/dbraw/zinc/32/78/51/344327851.db2.gz GVIPNKDVUQJGGJ-GARJFASQSA-N 0 3 226.320 0.479 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC(=O)NC(C)C ZINC000035661138 344330270 /nfs/dbraw/zinc/33/02/70/344330270.db2.gz SLIXPRLNJUMRKQ-SCZZXKLOSA-N 0 3 229.324 0.001 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CCC[C@@H](N(C)C)C1 ZINC000247587695 344352737 /nfs/dbraw/zinc/35/27/37/344352737.db2.gz MNEVGDRFCUGUDJ-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN COCc1noc([C@@]2(F)CCNC2)n1 ZINC000306659796 344357023 /nfs/dbraw/zinc/35/70/23/344357023.db2.gz LZAHKXWTWBAVFJ-MRVPVSSYSA-N 0 3 201.201 0.374 20 0 BCADHN CSCC[C@@H](O)C(=O)NC[C@@H]1CCCN1C ZINC000600691747 344359247 /nfs/dbraw/zinc/35/92/47/344359247.db2.gz BICRMJNVVLBPTM-VHSXEESVSA-N 0 3 246.376 0.311 20 0 BCADHN CN(C)CC(C)(C)NC(=O)CCCC(N)=O ZINC000622098406 344307970 /nfs/dbraw/zinc/30/79/70/344307970.db2.gz ADGPDFAKKXMHKG-UHFFFAOYSA-N 0 3 229.324 0.098 20 0 BCADHN C[C@@H]1CC[N@H+](CCCOC([O-])=NC(N)=O)C1 ZINC000093170169 344310188 /nfs/dbraw/zinc/31/01/88/344310188.db2.gz SFDKTPIJKBWJOV-MRVPVSSYSA-N 0 3 229.280 0.523 20 0 BCADHN C[C@@H]1CC[N@@H+](CCCOC([O-])=NC(N)=O)C1 ZINC000093170169 344310191 /nfs/dbraw/zinc/31/01/91/344310191.db2.gz SFDKTPIJKBWJOV-MRVPVSSYSA-N 0 3 229.280 0.523 20 0 BCADHN C[C@@H]1CC[N@H+](CCCOC(=O)N=C(N)[O-])C1 ZINC000093170169 344310193 /nfs/dbraw/zinc/31/01/93/344310193.db2.gz SFDKTPIJKBWJOV-MRVPVSSYSA-N 0 3 229.280 0.523 20 0 BCADHN C[C@@H]1CC[N@@H+](CCCOC(=O)N=C(N)[O-])C1 ZINC000093170169 344310195 /nfs/dbraw/zinc/31/01/95/344310195.db2.gz SFDKTPIJKBWJOV-MRVPVSSYSA-N 0 3 229.280 0.523 20 0 BCADHN COC(=O)[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC000600826833 344381614 /nfs/dbraw/zinc/38/16/14/344381614.db2.gz PYRPAJWBTSSMDD-SECBINFHSA-N 0 3 242.319 0.491 20 0 BCADHN COC1(CNC[C@H](C)S(C)(=O)=O)CCCC1 ZINC000309463552 259375624 /nfs/dbraw/zinc/37/56/24/259375624.db2.gz OOSAQHVNTIWALO-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN CCCc1nsc(NC(=O)[C@H](C)N)n1 ZINC000306677709 344389841 /nfs/dbraw/zinc/38/98/41/344389841.db2.gz ZOZQVMIDKZWPBG-YFKPBYRVSA-N 0 3 214.294 0.776 20 0 BCADHN CC(C)CNC(=O)CNC(C)(C)C(C)(C)O ZINC000223248646 344392129 /nfs/dbraw/zinc/39/21/29/344392129.db2.gz USNZPCIURGTYJX-UHFFFAOYSA-N 0 3 230.352 0.898 20 0 BCADHN c1nc2c(ncnc2N2CCNCC2)n1C1CC1 ZINC000634807218 344392235 /nfs/dbraw/zinc/39/22/35/344392235.db2.gz CBPQTVOCNAACKW-UHFFFAOYSA-N 0 3 244.302 0.571 20 0 BCADHN Cn1cnc(N2C[C@H]3CCC[C@@H](C2)N3)cc1=O ZINC000634807543 344392259 /nfs/dbraw/zinc/39/22/59/344392259.db2.gz RQLMBBJYVJFNKL-AOOOYVTPSA-N 0 3 234.303 0.111 20 0 BCADHN C[C@@H]1CN(c2cc(-n3ccnc3)ncn2)CCN1 ZINC000634807369 344392336 /nfs/dbraw/zinc/39/23/36/344392336.db2.gz IYEAGVJWOQIKAE-SNVBAGLBSA-N 0 3 244.302 0.460 20 0 BCADHN COC(=O)CCCNC(=O)[C@H](N)C(C)C ZINC000040832124 344396992 /nfs/dbraw/zinc/39/69/92/344396992.db2.gz LUYKOAQYLZJTTL-SECBINFHSA-N 0 3 216.281 0.039 20 0 BCADHN [NH3+][C@H]1CC[C@H](N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000634812922 344397393 /nfs/dbraw/zinc/39/73/93/344397393.db2.gz UQLANVDSDDXYCB-ZKCHVHJHSA-N 0 3 232.291 0.408 20 0 BCADHN CC[C@H](C[NH+]1CCCC1)NC(=O)c1cnn[n-]1 ZINC000605519524 344406179 /nfs/dbraw/zinc/40/61/79/344406179.db2.gz SZKZZKKHNFUZDU-SECBINFHSA-N 0 3 237.307 0.409 20 0 BCADHN CC[C@H]1CCCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000623853413 344409936 /nfs/dbraw/zinc/40/99/36/344409936.db2.gz XTQCXFMKMWSVDY-YUMQZZPRSA-N 0 3 236.323 0.499 20 0 BCADHN CC[N@H+](C)C[C@@H](O)CNc1nc[n-]c(=O)c1C ZINC000584302153 344438881 /nfs/dbraw/zinc/43/88/81/344438881.db2.gz UMNBKMOOJLTFHT-VIFPVBQESA-N 0 3 240.307 0.215 20 0 BCADHN CC[N@@H+](C)C[C@@H](O)CNc1nc[n-]c(=O)c1C ZINC000584302153 344438884 /nfs/dbraw/zinc/43/88/84/344438884.db2.gz UMNBKMOOJLTFHT-VIFPVBQESA-N 0 3 240.307 0.215 20 0 BCADHN COC[C@H](C)CNC(=O)[C@@H](N)CC(C)C ZINC000041679449 344439877 /nfs/dbraw/zinc/43/98/77/344439877.db2.gz 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345477313 /nfs/dbraw/zinc/47/73/13/345477313.db2.gz MZGPMCINDVLNPN-UHFFFAOYSA-N 0 3 210.321 0.947 20 0 BCADHN CCOCCNC(=O)CN1C[C@@H](C)C[C@@H]1C ZINC000084695818 345520832 /nfs/dbraw/zinc/52/08/32/345520832.db2.gz PFOSDGBYXUVZOQ-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN COC[C@H](N[C@@H](CO)c1cnn(C)c1)C1CC1 ZINC000090884311 345577398 /nfs/dbraw/zinc/57/73/98/345577398.db2.gz CRFJRHPZRSSGMS-RYUDHWBXSA-N 0 3 239.319 0.468 20 0 BCADHN COC[C@H](N[C@@H](CO)c1cnn(C)c1)C(C)C ZINC000090885468 345578104 /nfs/dbraw/zinc/57/81/04/345578104.db2.gz SYFJARCRBLPBNQ-RYUDHWBXSA-N 0 3 241.335 0.714 20 0 BCADHN COC[C@@H](N[C@@H](CO)c1cnn(C)c1)C(C)C ZINC000090885467 345578173 /nfs/dbraw/zinc/57/81/73/345578173.db2.gz SYFJARCRBLPBNQ-NWDGAFQWSA-N 0 3 241.335 0.714 20 0 BCADHN COC[C@@H](N[C@H](CO)c1cnn(C)c1)C(C)C ZINC000090885469 345578211 /nfs/dbraw/zinc/57/82/11/345578211.db2.gz SYFJARCRBLPBNQ-VXGBXAGGSA-N 0 3 241.335 0.714 20 0 BCADHN CN(C)CCN(C)C(=O)C[C@H]1CCCCO1 ZINC000087435229 345538951 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216.350 0.412 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(C)nn1CC ZINC000638699741 352538613 /nfs/dbraw/zinc/53/86/13/352538613.db2.gz PPTJVMFUXMEETL-QMMMGPOBSA-N 0 3 210.281 0.887 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H]([C@H](C)O)C1 ZINC000535560500 323184607 /nfs/dbraw/zinc/18/46/07/323184607.db2.gz VZRIHIMLKXJCOA-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN CCOC(=O)CCCN1CC[C@@]2(O)C[C@H]2C1 ZINC000595762930 348333361 /nfs/dbraw/zinc/33/33/61/348333361.db2.gz CGXZOORQNFHASC-CMPLNLGQSA-N 0 3 227.304 0.786 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726756 187394193 /nfs/dbraw/zinc/39/41/93/187394193.db2.gz XIXZOYXWRJCXHL-CMPLNLGQSA-N 0 3 239.363 0.713 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CCC2(COC2)C1 ZINC000595835719 348368998 /nfs/dbraw/zinc/36/89/98/348368998.db2.gz XFEHFOSIXNMPNF-NSHDSACASA-N 0 3 243.303 0.023 20 0 BCADHN CC[C@H](CN[C@@H]1COC[C@@H]1OC)OC ZINC000419286137 192123668 /nfs/dbraw/zinc/12/36/68/192123668.db2.gz QATCTSSZUSPGCD-BBBLOLIVSA-N 0 3 203.282 0.415 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCCC[C@@H]1O ZINC000162261090 362913300 /nfs/dbraw/zinc/91/33/00/362913300.db2.gz IRSZOXZELAQXHY-MXWKQRLJSA-N 0 3 249.376 0.703 20 0 BCADHN NC(=O)NC(=O)CN1CCC[C@H](C2CCC2)C1 ZINC000595832912 348366221 /nfs/dbraw/zinc/36/62/21/348366221.db2.gz KAWGAJFUDVIERG-JTQLQIEISA-N 0 3 239.319 0.693 20 0 BCADHN CC[C@H](C)N(CC)C(=O)[C@@H](N)CCC(=O)OC ZINC000595961784 348405234 /nfs/dbraw/zinc/40/52/34/348405234.db2.gz MBZQJDVOOQSEPY-UWVGGRQHSA-N 0 3 244.335 0.914 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H](CO)C1CCC1 ZINC000595963787 348406091 /nfs/dbraw/zinc/40/60/91/348406091.db2.gz UVIDLTCFOUMSNL-UWVGGRQHSA-N 0 3 246.376 0.344 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H]2NCC2(C)C)C1 ZINC000595974216 348408126 /nfs/dbraw/zinc/40/81/26/348408126.db2.gz CGHYZPZTNLBGAW-YIZRAAEISA-N 0 3 240.303 0.052 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H](N)C(C)C)C1 ZINC000595974234 348408168 /nfs/dbraw/zinc/40/81/68/348408168.db2.gz CRHFVMNOZDLRFX-YIZRAAEISA-N 0 3 228.292 0.038 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)C2(N)CCCC2)C1 ZINC000595974121 348408321 /nfs/dbraw/zinc/40/83/21/348408321.db2.gz AFFYJZJQKAJVPS-DTORHVGOSA-N 0 3 240.303 0.326 20 0 BCADHN C=Cn1cc(CN[C@H](C)C[S@@](C)=O)cn1 ZINC000194355648 187396831 /nfs/dbraw/zinc/39/68/31/187396831.db2.gz CZWVDRURIJPHIH-RFAUZJTJSA-N 0 3 227.333 0.840 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000595989916 348420858 /nfs/dbraw/zinc/42/08/58/348420858.db2.gz MJOZCDWKWXRYJR-IWSPIJDZSA-N 0 3 242.319 0.428 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1cocn1 ZINC000397864241 362927271 /nfs/dbraw/zinc/92/72/71/362927271.db2.gz ZFXHTEULMYFLIS-SNVBAGLBSA-N 0 3 211.265 0.808 20 0 BCADHN CC[C@@H](N)C(=O)N[C@](C)(CCF)C(=O)OC ZINC000595976557 348413735 /nfs/dbraw/zinc/41/37/35/348413735.db2.gz SJJPWRUNAPNENN-GMSGAONNSA-N 0 3 234.271 0.131 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC(=O)[C@@H](N)C2CCC2)C1 ZINC000595981561 348416883 /nfs/dbraw/zinc/41/68/83/348416883.db2.gz FHSSFTMNQHQSLM-GUBZILKMSA-N 0 3 240.303 0.182 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CCC[C@@H]1C(=O)OC ZINC000595982286 348417517 /nfs/dbraw/zinc/41/75/17/348417517.db2.gz DYELELNWIUNPMT-XHNCKOQMSA-N 0 3 228.292 0.052 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N[C@]1(C)CC1(C)C ZINC000595984702 348419274 /nfs/dbraw/zinc/41/92/74/348419274.db2.gz ASGUSWFUPZNFNA-PRHODGIISA-N 0 3 242.319 0.572 20 0 BCADHN CCC[C@@](C)(NC[C@@H]1CNCCO1)C(=O)OC ZINC000595894208 348390858 /nfs/dbraw/zinc/39/08/58/348390858.db2.gz VNDYEPJPBJGARK-CMPLNLGQSA-N 0 3 244.335 0.296 20 0 BCADHN COC(=O)CSCCNC(=O)CNC(C)C ZINC000595930342 348393062 /nfs/dbraw/zinc/39/30/62/348393062.db2.gz SKOGRZLWZCYJHS-UHFFFAOYSA-N 0 3 248.348 0.007 20 0 BCADHN CC(C)OC(=O)CCN1CC[C@@H](F)[C@H](N)C1 ZINC000595907194 348397520 /nfs/dbraw/zinc/39/75/20/348397520.db2.gz SKGBQCJIKKUDPF-NXEZZACHSA-N 0 3 232.299 0.699 20 0 BCADHN CC(C)OCCN1C[C@@H](C)N(CCO)C[C@H]1C ZINC000419338258 192125289 /nfs/dbraw/zinc/12/52/89/192125289.db2.gz YXALUKOOSDGPCQ-CHWSQXEVSA-N 0 3 244.379 0.798 20 0 BCADHN CCOCCCNC(=O)CNC(C)C ZINC000037389705 348404235 /nfs/dbraw/zinc/40/42/35/348404235.db2.gz DSXVIXKOLKBXPH-UHFFFAOYSA-N 0 3 202.298 0.527 20 0 BCADHN COc1nccc(CN[C@H](CO)C(C)C)n1 ZINC000395114986 323187530 /nfs/dbraw/zinc/18/75/30/323187530.db2.gz FQOLPSOHOHUXQO-SNVBAGLBSA-N 0 3 225.292 0.592 20 0 BCADHN CC(C)CCCNC(=O)C(=O)N[C@@H](C)CN ZINC000419369546 192129461 /nfs/dbraw/zinc/12/94/61/192129461.db2.gz HWEIWPPRTQZVIS-VIFPVBQESA-N 0 3 229.324 0.002 20 0 BCADHN C[C@@H]1[C@H](C)CN(CCNS(C)(=O)=O)[C@H]1C ZINC000419372654 192129577 /nfs/dbraw/zinc/12/95/77/192129577.db2.gz MSXWKZOSLFMFDY-BBBLOLIVSA-N 0 3 234.365 0.512 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419391655 192130114 /nfs/dbraw/zinc/13/01/14/192130114.db2.gz JWVUINMZKVQHEC-RYPBNFRJSA-N 0 3 227.308 0.546 20 0 BCADHN CCNC(=O)NC(=O)CN1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419394913 192130173 /nfs/dbraw/zinc/13/01/73/192130173.db2.gz PTYGOKRMNWPENH-AEJSXWLSSA-N 0 3 241.335 0.808 20 0 BCADHN COC(=O)CNC(=O)CN1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419396777 192130855 /nfs/dbraw/zinc/13/08/55/192130855.db2.gz SZEIZOXLWXYIEX-IVZWLZJFSA-N 0 3 242.319 0.252 20 0 BCADHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)N1CCOCC1 ZINC000419396950 192131364 /nfs/dbraw/zinc/13/13/64/192131364.db2.gz TXGZDTHWUDRQJE-GRYCIOLGSA-N 0 3 240.347 0.822 20 0 BCADHN Cc1cc(CNC(=O)[C@H]2CCCN2C)n[nH]1 ZINC000603551821 349991115 /nfs/dbraw/zinc/99/11/15/349991115.db2.gz RIQCRKJJFYAJAB-SNVBAGLBSA-N 0 3 222.292 0.429 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)NCCC1CCCC1 ZINC000419566641 192142028 /nfs/dbraw/zinc/14/20/28/192142028.db2.gz PINUQMPXAGHBCP-SECBINFHSA-N 0 3 241.335 0.146 20 0 BCADHN Cc1ccncc1CN1C[C@H](O)C[C@H]1CO ZINC000373420922 179486558 /nfs/dbraw/zinc/48/65/58/179486558.db2.gz DVAZGSFHXOZOMV-NWDGAFQWSA-N 0 3 222.288 0.318 20 0 BCADHN CC[C@@H](NC(=O)C(=O)N(C)CCN)C(C)(C)C ZINC000419663988 192144177 /nfs/dbraw/zinc/14/41/77/192144177.db2.gz ISFPFDNZNLJIEQ-SECBINFHSA-N 0 3 243.351 0.344 20 0 BCADHN CC[C@H](NC(=O)C(=O)N(C)CCN)C(C)(C)C ZINC000419663989 192144256 /nfs/dbraw/zinc/14/42/56/192144256.db2.gz ISFPFDNZNLJIEQ-VIFPVBQESA-N 0 3 243.351 0.344 20 0 BCADHN COCc1cccc(CN[C@H](CO)[C@@H](C)O)c1 ZINC000419795274 192144675 /nfs/dbraw/zinc/14/46/75/192144675.db2.gz JLKWHVSGSMPOTA-ZWNOBZJWSA-N 0 3 239.315 0.664 20 0 BCADHN Cc1nc2ccccn2c1CN[C@H](CO)[C@@H](C)O ZINC000419795931 192144959 /nfs/dbraw/zinc/14/49/59/192144959.db2.gz MDQYXMSVBWFTRQ-GHMZBOCLSA-N 0 3 249.314 0.474 20 0 BCADHN C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CCN)CC1 ZINC000419770271 192145019 /nfs/dbraw/zinc/14/50/19/192145019.db2.gz LMHYXRQHXCUJNQ-MGCOHNPYSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCC1(C)CC1 ZINC000419779508 192145072 /nfs/dbraw/zinc/14/50/72/192145072.db2.gz MZYTVSANPDGQNI-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000419816682 192145537 /nfs/dbraw/zinc/14/55/37/192145537.db2.gz QSEAKCSOZRXTMX-GUBZILKMSA-N 0 3 241.335 0.145 20 0 BCADHN CCN(C(=O)C(=O)NCCN)C1CC(C)(C)C1 ZINC000419838074 192146597 /nfs/dbraw/zinc/14/65/97/192146597.db2.gz NIMGMHYSAIGQEM-UHFFFAOYSA-N 0 3 241.335 0.098 20 0 BCADHN CCC[C@H](O)[C@H](CO)NCc1cncn1CC ZINC000419825031 192146645 /nfs/dbraw/zinc/14/66/45/192146645.db2.gz PTAJEPDAQDPXFJ-RYUDHWBXSA-N 0 3 241.335 0.515 20 0 BCADHN CC(C)N(CC1CCC1)C(=O)C(=O)NCCN ZINC000419840164 192146746 /nfs/dbraw/zinc/14/67/46/192146746.db2.gz RUHCQUCACPLKDI-UHFFFAOYSA-N 0 3 241.335 0.098 20 0 BCADHN CC[C@H](C(=O)NCCN(C)C1CC1)[C@@H](C)O ZINC000419891783 192148057 /nfs/dbraw/zinc/14/80/57/192148057.db2.gz NOAHVIUZPXAARV-KOLCDFICSA-N 0 3 228.336 0.604 20 0 BCADHN CCCN(C)C(=O)C(=O)N[C@H](CN)CC(C)C ZINC000419967046 192149717 /nfs/dbraw/zinc/14/97/17/192149717.db2.gz ZUALMOAQYPAORV-JTQLQIEISA-N 0 3 243.351 0.344 20 0 BCADHN CC[C@@H](C(=O)NCC1(N(C)C)CCC1)[C@H](C)O ZINC000420008241 192152328 /nfs/dbraw/zinc/15/23/28/192152328.db2.gz BHYUDFIQQJOFQE-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@@H](C(=O)NCC1(N(C)C)CCC1)[C@@H](C)O ZINC000420008233 192152389 /nfs/dbraw/zinc/15/23/89/192152389.db2.gz BHYUDFIQQJOFQE-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN CN(C)CC[C@@](C)(O)CNC(=O)CC1(C)CC1 ZINC000420002815 192152802 /nfs/dbraw/zinc/15/28/02/192152802.db2.gz UHHILXKMNLVABH-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN CCN(CCC1CC1)C(=O)C(=O)N[C@@H](C)CN ZINC000420012410 192153251 /nfs/dbraw/zinc/15/32/51/192153251.db2.gz HYGNKIZCWAWZSG-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1CC(C)(C)C[C@H]1C ZINC000420019918 192153363 /nfs/dbraw/zinc/15/33/63/192153363.db2.gz CUMRIFOVNPVROI-DTWKUNHWSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@@H](C(=O)N(C)CCN(C)C1CC1)[C@H](C)O ZINC000419969431 192153372 /nfs/dbraw/zinc/15/33/72/192153372.db2.gz SGAZDLZYJFFMHZ-CMPLNLGQSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](C)CN(CC)C(=O)C(=O)N[C@@H](C)CN ZINC000420009943 192153504 /nfs/dbraw/zinc/15/35/04/192153504.db2.gz DNWMHMFLWPXSQZ-UWVGGRQHSA-N 0 3 243.351 0.344 20 0 BCADHN Cc1ccsc1[C@@H](CO)N[C@@H](C)CC(N)=O ZINC000336735583 179553939 /nfs/dbraw/zinc/55/39/39/179553939.db2.gz IBSBVTPWZXQKQM-DTWKUNHWSA-N 0 3 242.344 0.943 20 0 BCADHN COC[C@@](C)(CCO)NCc1cn[nH]c1 ZINC000389896763 538007761 /nfs/dbraw/zinc/00/77/61/538007761.db2.gz ZNSQITFXVBWRRK-SNVBAGLBSA-N 0 3 213.281 0.287 20 0 BCADHN Cc1cnc(C(=O)NC2CCN(C)CC2)o1 ZINC000291668217 179574300 /nfs/dbraw/zinc/57/43/00/179574300.db2.gz CGHIOXKAMAXPQP-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN CN(C)C(=O)C(C)(C)NCCn1cccn1 ZINC000114458044 323194078 /nfs/dbraw/zinc/19/40/78/323194078.db2.gz ZXCMOAOQNREGIQ-UHFFFAOYSA-N 0 3 224.308 0.340 20 0 BCADHN Cc1nc2[nH]ccc2c(N2CCNCC2)n1 ZINC000420113021 192162650 /nfs/dbraw/zinc/16/26/50/192162650.db2.gz BQJHFAIVQLEZDU-UHFFFAOYSA-N 0 3 217.276 0.676 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1CCCC(C)(C)C1 ZINC000420028392 192158012 /nfs/dbraw/zinc/15/80/12/192158012.db2.gz MISUMUKVSZOTHO-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN CC[C@H]1C[C@H](C)CN1C(=O)C(=O)N[C@@H](C)CN ZINC000420032335 192158489 /nfs/dbraw/zinc/15/84/89/192158489.db2.gz TYSHCJZNGGSKQM-GUBZILKMSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C ZINC000420035101 192158742 /nfs/dbraw/zinc/15/87/42/192158742.db2.gz YAFFEFYKRQIIOO-LPEHRKFASA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@@H](C)O ZINC000420092501 192160830 /nfs/dbraw/zinc/16/08/30/192160830.db2.gz OFLLNAWPNLIGMN-NOOOWODRSA-N 0 3 240.347 0.556 20 0 BCADHN CCNC(=O)CN[C@H]1CCO[C@H](CC)C1 ZINC000069861724 490189667 /nfs/dbraw/zinc/18/96/67/490189667.db2.gz DBMFJQIOZXYMJB-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NC1CSC1 ZINC000597188175 348685383 /nfs/dbraw/zinc/68/53/83/348685383.db2.gz VWZBAAAAUFYIPH-JGVFFNPUSA-N 0 3 217.290 0.022 20 0 BCADHN COC(=O)[C@H]1C[C@H](NCc2cnn(C)c2)C1 ZINC000597245261 348688978 /nfs/dbraw/zinc/68/89/78/348688978.db2.gz YXLSBVJLLPBCQW-MGCOHNPYSA-N 0 3 223.276 0.461 20 0 BCADHN c1n[nH]cc1CNCCN1CCSCC1 ZINC000308806961 348696163 /nfs/dbraw/zinc/69/61/63/348696163.db2.gz BBZKHSXSQANBIV-UHFFFAOYSA-N 0 3 226.349 0.548 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)COC(F)F ZINC000421716184 192376543 /nfs/dbraw/zinc/37/65/43/192376543.db2.gz ZWKRJRXUVWBFKE-QMMMGPOBSA-N 0 3 236.262 0.778 20 0 BCADHN COCCC(=O)N(C)C[C@H]1CCCN1C ZINC000421706193 192375069 /nfs/dbraw/zinc/37/50/69/192375069.db2.gz UFXHFCFPOUJWLY-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N(C)C[C@@H]2CCCN2C)CO1 ZINC000421708925 192375160 /nfs/dbraw/zinc/37/51/60/192375160.db2.gz BOYNGWGLXKXQOO-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)COCC1CC1 ZINC000421704704 192375288 /nfs/dbraw/zinc/37/52/88/192375288.db2.gz PMKUVJSKXKVOPI-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421710342 192375699 /nfs/dbraw/zinc/37/56/99/192375699.db2.gz KAUIWXXORXSVJV-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN CCOC(=O)CC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000597945616 348846769 /nfs/dbraw/zinc/84/67/69/348846769.db2.gz JWIZJUGEQHPEAZ-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN CCC[C@H](NC(=O)[C@H](N)[C@@H](C)CC)C(=O)OC ZINC000207931950 348837196 /nfs/dbraw/zinc/83/71/96/348837196.db2.gz PMJZBSYTDCQUCP-LPEHRKFASA-N 0 3 244.335 0.818 20 0 BCADHN C[C@H](C[S@@](C)=O)NC[C@@](C)(O)C(F)(F)F ZINC000308865145 348979967 /nfs/dbraw/zinc/97/99/67/348979967.db2.gz WOSRECMTVCFKQD-PDDYSYKVSA-N 0 3 247.282 0.656 20 0 BCADHN C[C@H](C[S@@](C)=O)NC[C@](C)(O)C(F)(F)F ZINC000308865143 348979991 /nfs/dbraw/zinc/97/99/91/348979991.db2.gz WOSRECMTVCFKQD-FYHVHOSDSA-N 0 3 247.282 0.656 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1C[C@H](C(=O)OC)C1 ZINC000598518924 348981864 /nfs/dbraw/zinc/98/18/64/348981864.db2.gz KZHPOGHEECCVLL-MGCOHNPYSA-N 0 3 242.319 0.396 20 0 BCADHN CCOC(=O)CCN1CC[C@H](C)[C@H](CO)C1 ZINC000598645888 349009571 /nfs/dbraw/zinc/00/95/71/349009571.db2.gz PCYZHNIHPNUVEN-QWRGUYRKSA-N 0 3 229.320 0.890 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NCC1CC(C)C1 ZINC000598666743 349014164 /nfs/dbraw/zinc/01/41/64/349014164.db2.gz OMNLIWYCDSKCPN-UDNWOFFPSA-N 0 3 242.319 0.429 20 0 BCADHN CC[S@](=O)CC(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000598737305 349035317 /nfs/dbraw/zinc/03/53/17/349035317.db2.gz VKROJQQZUJAJEK-LYGAQUJYSA-N 0 3 246.376 0.306 20 0 BCADHN Cc1noc(C2CCN(CCCO)CC2)n1 ZINC000054347201 349083885 /nfs/dbraw/zinc/08/38/85/349083885.db2.gz OFEVAIWOPPYPBG-UHFFFAOYSA-N 0 3 225.292 0.940 20 0 BCADHN CC[C@@H](CSC)N(C)c1nc(N)nc(N)n1 ZINC000599062895 349086293 /nfs/dbraw/zinc/08/62/93/349086293.db2.gz RZXIOKDLACRNTE-LURJTMIESA-N 0 3 242.352 0.275 20 0 BCADHN C[C@](O)(CO)CNCc1cccc2n[nH]cc21 ZINC000623511772 362938398 /nfs/dbraw/zinc/93/83/98/362938398.db2.gz DMPWTIPXTKHLRP-GFCCVEGCSA-N 0 3 235.287 0.396 20 0 BCADHN CCOCCN(CC)C[C@@H]1CNCCO1 ZINC000070621448 490227250 /nfs/dbraw/zinc/22/72/50/490227250.db2.gz LHZIJPUOSYIWIS-NSHDSACASA-N 0 3 216.325 0.333 20 0 BCADHN CCSCCN[C@@](C)(CO)COC ZINC000388576081 349131811 /nfs/dbraw/zinc/13/18/11/349131811.db2.gz BJDPYOODGVXDJP-VIFPVBQESA-N 0 3 207.339 0.727 20 0 BCADHN CN1CC[C@@H]2CN(c3cc(C#N)cnn3)C[C@@H]2C1 ZINC000396942030 350002332 /nfs/dbraw/zinc/00/23/32/350002332.db2.gz INTASSDYLHQPTF-NEPJUHHUSA-N 0 3 243.314 0.736 20 0 BCADHN COC(=O)CCCCN1CCCC[C@H]1C(N)=O ZINC000599261722 349133931 /nfs/dbraw/zinc/13/39/31/349133931.db2.gz UWOYCWMNTJCCFT-JTQLQIEISA-N 0 3 242.319 0.670 20 0 BCADHN COC(=O)CCCCN1CCSC[C@@H]1CO ZINC000599339225 349151812 /nfs/dbraw/zinc/15/18/12/349151812.db2.gz KMSVTCXUDTZPLO-JTQLQIEISA-N 0 3 247.360 0.739 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(CCO)CC1CC1 ZINC000599273837 349137747 /nfs/dbraw/zinc/13/77/47/349137747.db2.gz VPPHWFLPMKRHBD-LLVKDONJSA-N 0 3 245.319 0.005 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)C1(COC)CC1 ZINC000599339052 349151922 /nfs/dbraw/zinc/15/19/22/349151922.db2.gz ZWUXPRLSTHLRLJ-JTQLQIEISA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)CCCCN1CC[C@H](O)[C@@H](CO)C1 ZINC000599437490 349176863 /nfs/dbraw/zinc/17/68/63/349176863.db2.gz RGFQNQSHZBTXOS-MNOVXSKESA-N 0 3 245.319 0.005 20 0 BCADHN CC[C@@H]1CO[C@H](C)CN1C(=O)[C@H](C)NC ZINC000251872587 349191988 /nfs/dbraw/zinc/19/19/88/349191988.db2.gz UNLZDDLINLHMAM-KXUCPTDWSA-N 0 3 214.309 0.620 20 0 BCADHN CC[C@H](C)N1CCN(CCC(=O)OC)CC1 ZINC000055067739 349182620 /nfs/dbraw/zinc/18/26/20/349182620.db2.gz COFRHEWNUZXQHA-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCC[C@@H]1[C@@H](C)O ZINC000599466446 349192085 /nfs/dbraw/zinc/19/20/85/349192085.db2.gz AUTTWTLPIPHAOK-GMTAPVOTSA-N 0 3 245.319 0.146 20 0 BCADHN COC(=O)CCCCN1CCOC[C@@H](O)C1 ZINC000599432423 349189270 /nfs/dbraw/zinc/18/92/70/349189270.db2.gz SEKMDZVAQUCFSU-JTQLQIEISA-N 0 3 231.292 0.023 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1C[C@@H](C)COC ZINC000249192884 349155863 /nfs/dbraw/zinc/15/58/63/349155863.db2.gz OYVOBTDTTJKVJT-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CC[C@@](O)(CC)C1 ZINC000599377094 349162695 /nfs/dbraw/zinc/16/26/95/349162695.db2.gz HLJQSXCNHDXMHU-JQWIXIFHSA-N 0 3 245.319 0.147 20 0 BCADHN Cc1csc([C@H](C)NC(=O)[C@H](C)N)n1 ZINC000070634196 179795108 /nfs/dbraw/zinc/79/51/08/179795108.db2.gz WWTSPQILQYWKGE-BQBZGAKWSA-N 0 3 213.306 0.976 20 0 BCADHN CCN(CCCCC(=O)OC)[C@@H]1CCNC1=O ZINC000599398365 349171730 /nfs/dbraw/zinc/17/17/30/349171730.db2.gz WKBDUQGCVZSAQO-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN COC(=O)CCCCN1CCC[C@@H]1C(N)=O ZINC000599432827 349173558 /nfs/dbraw/zinc/17/35/58/349173558.db2.gz FCXYADJCNYTVFF-SECBINFHSA-N 0 3 228.292 0.279 20 0 BCADHN COC(=O)[C@]1(OC)CCN([C@H]2CCOC2)C1 ZINC000599559214 349216850 /nfs/dbraw/zinc/21/68/50/349216850.db2.gz UEKQEWCXANGGJQ-ONGXEEELSA-N 0 3 229.276 0.039 20 0 BCADHN CC1(C)C[C@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC000333846207 538035915 /nfs/dbraw/zinc/03/59/15/538035915.db2.gz WGKPDENIKNFCCU-SECBINFHSA-N 0 3 239.319 0.169 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(CCC[C@H](C)O)C1 ZINC000599557993 349217509 /nfs/dbraw/zinc/21/75/09/349217509.db2.gz CTWFMDDFVUKSHY-CMPLNLGQSA-N 0 3 245.319 0.411 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C[C@H](C)O)C1CC1 ZINC000599454923 349200045 /nfs/dbraw/zinc/20/00/45/349200045.db2.gz YMHQXJPLFQPIQJ-GXSJLCMTSA-N 0 3 245.319 0.146 20 0 BCADHN Cc1n[nH]c(C)c1NC(=O)[C@@]1(F)CCNC1 ZINC000366319070 179828975 /nfs/dbraw/zinc/82/89/75/179828975.db2.gz BEAWKSZTGFCXJL-SNVBAGLBSA-N 0 3 226.255 0.667 20 0 BCADHN CCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252891799 535094530 /nfs/dbraw/zinc/09/45/30/535094530.db2.gz LVZPDBWRRPJZHF-QWRGUYRKSA-N 0 3 241.335 0.559 20 0 BCADHN O=C(Nc1cccnc1)N1CCCNCC1 ZINC000623053682 349284979 /nfs/dbraw/zinc/28/49/79/349284979.db2.gz MUWLQYPNRXTPRT-UHFFFAOYSA-N 0 3 220.276 0.909 20 0 BCADHN O=C(NC[C@H]1CNCCO1)Nc1nccs1 ZINC000623057764 349343860 /nfs/dbraw/zinc/34/38/60/349343860.db2.gz GJLUFBBERGQODM-SSDOTTSWSA-N 0 3 242.304 0.253 20 0 BCADHN CC(C)[C@@H](CO)CNCc1ccn(C)n1 ZINC000309018278 349304731 /nfs/dbraw/zinc/30/47/31/349304731.db2.gz VNYUEMSRFWGGCM-SNVBAGLBSA-N 0 3 211.309 0.774 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@@H]1CCCOC1 ZINC000071013491 490252614 /nfs/dbraw/zinc/25/26/14/490252614.db2.gz JALHPPZNKYCOKG-VHSXEESVSA-N 0 3 214.309 0.668 20 0 BCADHN CCO[C@@H]1C[C@H]1N[C@@H](C)CC(=O)N(C)C ZINC000309030733 349317590 /nfs/dbraw/zinc/31/75/90/349317590.db2.gz DNSBACQZXQKWPD-IVZWLZJFSA-N 0 3 214.309 0.620 20 0 BCADHN O=C(C[C@H]1CSCCN1)NCc1cocn1 ZINC000397914866 362946475 /nfs/dbraw/zinc/94/64/75/362946475.db2.gz ZYXILVLXSCZMFN-QMMMGPOBSA-N 0 3 241.316 0.386 20 0 BCADHN COC(=O)c1nn(CCN(C)C)c2c1CCC2 ZINC000601932562 349386128 /nfs/dbraw/zinc/38/61/28/349386128.db2.gz KXQSILPXYAPBEP-UHFFFAOYSA-N 0 3 237.303 0.720 20 0 BCADHN CNC(=O)c1ccc(CN[C@@H](C)[C@@H](C)O)cc1 ZINC000342226942 538046252 /nfs/dbraw/zinc/04/62/52/538046252.db2.gz OVEGANJGGYMESF-VHSXEESVSA-N 0 3 236.315 0.905 20 0 BCADHN COC(=O)CCCC(=O)NCCN1CCCC1 ZINC000602040892 349423640 /nfs/dbraw/zinc/42/36/40/349423640.db2.gz QMKWYYFFTJZTQF-UHFFFAOYSA-N 0 3 242.319 0.542 20 0 BCADHN CNC(=O)c1ccc(CN[C@H](C)[C@H](C)O)cc1 ZINC000342226949 538046656 /nfs/dbraw/zinc/04/66/56/538046656.db2.gz OVEGANJGGYMESF-ZJUUUORDSA-N 0 3 236.315 0.905 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)Nc1ccccn1 ZINC000623062653 349427785 /nfs/dbraw/zinc/42/77/85/349427785.db2.gz WLKOSNCDGKFJGN-IUCAKERBSA-N 0 3 238.266 0.903 20 0 BCADHN CN(C[C@@H]1CCCN1C)c1cc(C#N)cnn1 ZINC000396975429 350016919 /nfs/dbraw/zinc/01/69/19/350016919.db2.gz FLQXJQVRIIBGAP-NSHDSACASA-N 0 3 231.303 0.879 20 0 BCADHN CC(C)(C)[C@@H](O)CNC(=O)C1(N)CCC1 ZINC000324344594 323228564 /nfs/dbraw/zinc/22/85/64/323228564.db2.gz NMTNWLIQKZAKKV-QMMMGPOBSA-N 0 3 214.309 0.391 20 0 BCADHN C[C@@H](N)C(=O)N1CCCC[C@@H]1C(F)F ZINC000638703464 352541550 /nfs/dbraw/zinc/54/15/50/352541550.db2.gz IDNAGIMYXQMORD-RNFRBKRXSA-N 0 3 206.236 0.980 20 0 BCADHN COC(=O)c1ccc(CNCCCO)n1C ZINC000601995533 349415761 /nfs/dbraw/zinc/41/57/61/349415761.db2.gz DHZQHKFZWXLFAV-UHFFFAOYSA-N 0 3 226.276 0.284 20 0 BCADHN COC(=O)c1ccc(CNC/C=C/CO)n1C ZINC000602027724 349420679 /nfs/dbraw/zinc/42/06/79/349420679.db2.gz JIVOVWFNJSRXRN-ONEGZZNKSA-N 0 3 238.287 0.450 20 0 BCADHN COC(=O)c1ccc(CN[C@H]2CCOC2)n1C ZINC000602009788 349422048 /nfs/dbraw/zinc/42/20/48/349422048.db2.gz BYUYHHQLJWMDRU-VIFPVBQESA-N 0 3 238.287 0.690 20 0 BCADHN CC[C@@H](C)N1CC[C@@H](S(=O)(=O)NC)C1 ZINC000558607498 490281215 /nfs/dbraw/zinc/28/12/15/490281215.db2.gz FYMMLZAKGSBEQA-RKDXNWHRSA-N 0 3 220.338 0.408 20 0 BCADHN C[C@@H]1CN(Cc2ccnc(N)c2)CC[C@@H]1O ZINC000127197105 191007874 /nfs/dbraw/zinc/00/78/74/191007874.db2.gz WPSHTXNRXQERES-KOLCDFICSA-N 0 3 221.304 0.867 20 0 BCADHN CN(CC(C)(C)O)C(=O)NC[C@H]1CCCN1C ZINC000129682180 191009074 /nfs/dbraw/zinc/00/90/74/191009074.db2.gz OTDWBAXJKBNVJU-SNVBAGLBSA-N 0 3 243.351 0.493 20 0 BCADHN CN(CC(C)(C)O)C(=O)NC[C@@H]1CCCN1C ZINC000129681977 191009318 /nfs/dbraw/zinc/00/93/18/191009318.db2.gz OTDWBAXJKBNVJU-JTQLQIEISA-N 0 3 243.351 0.493 20 0 BCADHN CC[C@@H](C)CS(=O)(=O)C(C)C(N)=O ZINC000131268729 191010181 /nfs/dbraw/zinc/01/01/81/191010181.db2.gz ORHZDGNLSUIFRA-RNFRBKRXSA-N 0 3 207.295 0.321 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000131071988 191010327 /nfs/dbraw/zinc/01/03/27/191010327.db2.gz CIWUREFNGARTFL-JTQLQIEISA-N 0 3 241.335 0.064 20 0 BCADHN Cc1cnc(C(=O)N2CC[C@@H](F)[C@H](N)C2)o1 ZINC000623072796 350104813 /nfs/dbraw/zinc/10/48/13/350104813.db2.gz OXXHOUIDLOPSIA-HTQZYQBOSA-N 0 3 227.239 0.494 20 0 BCADHN Cc1nc(NC[C@H](C)N(C)C)cc2nncn21 ZINC000298185216 180019676 /nfs/dbraw/zinc/01/96/76/180019676.db2.gz GXUGUKMNUNCWIY-QMMMGPOBSA-N 0 3 234.307 0.795 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@@H](C)N(C)C1CC1 ZINC000132153068 191026306 /nfs/dbraw/zinc/02/63/06/191026306.db2.gz HQJZCISGCVANDJ-NXEZZACHSA-N 0 3 248.392 0.492 20 0 BCADHN CCN1CCC(NC(=O)[C@H](C)OC)CC1 ZINC000055751657 350120765 /nfs/dbraw/zinc/12/07/65/350120765.db2.gz ONWWWROFGDIVNM-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN COc1cc(C)nc(N2CC(N(C)C)C2)n1 ZINC000342788316 538052910 /nfs/dbraw/zinc/05/29/10/538052910.db2.gz OIFVGPUMKAPWAA-UHFFFAOYSA-N 0 3 222.292 0.544 20 0 BCADHN C[C@H](CN[C@@H](C)CS(C)(=O)=O)N(C)C1CC1 ZINC000132152735 191026440 /nfs/dbraw/zinc/02/64/40/191026440.db2.gz HQJZCISGCVANDJ-VHSXEESVSA-N 0 3 248.392 0.492 20 0 BCADHN CC(C)(O)CN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132162142 191026538 /nfs/dbraw/zinc/02/65/38/191026538.db2.gz REVNISUVQWEWRQ-UWVGGRQHSA-N 0 3 249.376 0.703 20 0 BCADHN O=S1(=O)CCC[C@H](CNC2CSC2)C1 ZINC000306417069 490340792 /nfs/dbraw/zinc/34/07/92/490340792.db2.gz RPKHMIAJOYDRSO-MRVPVSSYSA-N 0 3 235.374 0.516 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CCCC[C@@H]1CO ZINC000132193328 191027266 /nfs/dbraw/zinc/02/72/66/191027266.db2.gz SAGDCWOUZHHCHR-MXWKQRLJSA-N 0 3 249.376 0.560 20 0 BCADHN CC[C@H](C(=O)N1CC(O)(C(F)F)C1)N(C)C ZINC000425017384 191027599 /nfs/dbraw/zinc/02/75/99/191027599.db2.gz JEQSXKGOYQHRAA-SSDOTTSWSA-N 0 3 236.262 0.165 20 0 BCADHN CC[C@@H](C(=O)N1CC(O)(C(F)F)C1)N(C)C ZINC000425017386 191028281 /nfs/dbraw/zinc/02/82/81/191028281.db2.gz JEQSXKGOYQHRAA-ZETCQYMHSA-N 0 3 236.262 0.165 20 0 BCADHN Cc1nc2ccc(NCCN(C)C)nn2n1 ZINC000286721339 180096537 /nfs/dbraw/zinc/09/65/37/180096537.db2.gz DDFULFJMGNDMAI-UHFFFAOYSA-N 0 3 220.280 0.406 20 0 BCADHN CC1(C)C[C@@H](NCC(=O)NC(N)=O)C(C)(C)O1 ZINC000132417134 191032183 /nfs/dbraw/zinc/03/21/83/191032183.db2.gz ZEMYDXMUOPRPIB-SSDOTTSWSA-N 0 3 243.307 0.117 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCC[C@]1(C)CO ZINC000427006350 191049936 /nfs/dbraw/zinc/04/99/36/191049936.db2.gz CEDCOGFDUUMBTP-DGCLKSJQSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1ncc(C(=O)NC[C@@H]2CCCN2C)c(C)n1 ZINC000180398092 180130252 /nfs/dbraw/zinc/13/02/52/180130252.db2.gz IIBDMHMUGCDKEF-NSHDSACASA-N 0 3 248.330 0.917 20 0 BCADHN Cc1ncc(C(=O)NCCN(C)C2CC2)c(C)n1 ZINC000271926953 180131033 /nfs/dbraw/zinc/13/10/33/180131033.db2.gz FHJQIHCVSHXDPO-UHFFFAOYSA-N 0 3 248.330 0.917 20 0 BCADHN CNC(=O)NC(=O)CN([C@@H](C)C1CC1)C1CC1 ZINC000031654297 350172425 /nfs/dbraw/zinc/17/24/25/350172425.db2.gz NBUXBYGAGAQAFO-QMMMGPOBSA-N 0 3 239.319 0.705 20 0 BCADHN CNC(=O)NC(=O)CN([C@H](C)C1CC1)C1CC1 ZINC000031654300 350172732 /nfs/dbraw/zinc/17/27/32/350172732.db2.gz NBUXBYGAGAQAFO-MRVPVSSYSA-N 0 3 239.319 0.705 20 0 BCADHN CCN(CCCO)C(=O)[C@@H]1CCCN1C1CC1 ZINC000426993295 191051489 /nfs/dbraw/zinc/05/14/89/191051489.db2.gz XFNGLRXJMQMKNR-LBPRGKRZSA-N 0 3 240.347 0.844 20 0 BCADHN Cc1nc(N(C)C)nc(N2CCN[C@H](C)C2)n1 ZINC000420188499 192172698 /nfs/dbraw/zinc/17/26/98/192172698.db2.gz FHVFUADHKYCNCI-MRVPVSSYSA-N 0 3 236.323 0.044 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000335661456 180120455 /nfs/dbraw/zinc/12/04/55/180120455.db2.gz DXJXCEWYRRJPSK-SCZZXKLOSA-N 0 3 236.319 0.722 20 0 BCADHN CCO[C@@H]1COCC[C@@H]1NCc1n[nH]c(C)n1 ZINC000428430777 191058605 /nfs/dbraw/zinc/05/86/05/191058605.db2.gz PBRJEGBLRGIWRZ-VHSXEESVSA-N 0 3 240.307 0.397 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@@](C)(CO)C(C)C ZINC000427364193 191060461 /nfs/dbraw/zinc/06/04/61/191060461.db2.gz DCIIXDMOHBBFFY-LBPRGKRZSA-N 0 3 239.319 0.784 20 0 BCADHN Cc1ncc(C(=O)N2C[C@H](C)NC[C@@H]2C)c(C)n1 ZINC000356918533 180128202 /nfs/dbraw/zinc/12/82/02/180128202.db2.gz LXCBKFUBXVVZMI-IUCAKERBSA-N 0 3 248.330 0.916 20 0 BCADHN Cc1ncc(C[NH2+][C@H]2CCO[C@@H]2C)c(=O)[n-]1 ZINC000309943470 180157726 /nfs/dbraw/zinc/15/77/26/180157726.db2.gz CMRYOQTTXHGPIP-XCBNKYQSSA-N 0 3 223.276 0.758 20 0 BCADHN COC[C@@H](N[C@@H]1CCCCNC1=O)C(C)C ZINC000083399351 350195243 /nfs/dbraw/zinc/19/52/43/350195243.db2.gz DCHHOVXPWDBCIV-GHMZBOCLSA-N 0 3 228.336 0.916 20 0 BCADHN Cc1ncc(NC(=O)C[C@H]2CNCCO2)cn1 ZINC000269225566 180166511 /nfs/dbraw/zinc/16/65/11/180166511.db2.gz NNWUCABEJZTGAU-JTQLQIEISA-N 0 3 236.275 0.102 20 0 BCADHN OCCCN(CCO)CCOCC1CC1 ZINC000119639180 191068324 /nfs/dbraw/zinc/06/83/24/191068324.db2.gz IGXPDLCPKPBZIQ-UHFFFAOYSA-N 0 3 217.309 0.090 20 0 BCADHN Cc1ncc(NC(=O)[C@H](N)C(C)C)cn1 ZINC000257681580 180168985 /nfs/dbraw/zinc/16/89/85/180168985.db2.gz LFFWWWKTNOSMQS-SECBINFHSA-N 0 3 208.265 0.707 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-]CC[C@H](C)[NH3+])s1 ZINC000226709709 180172824 /nfs/dbraw/zinc/17/28/24/180172824.db2.gz WQLHOZFVVLWYNR-LURJTMIESA-N 0 3 249.361 0.467 20 0 BCADHN Cc1ncc(CN2C[C@@H](C)[C@H](CO)C2)cn1 ZINC000352404362 180145612 /nfs/dbraw/zinc/14/56/12/180145612.db2.gz AVWADGPUSZDGNL-SKDRFNHKSA-N 0 3 221.304 0.845 20 0 BCADHN Cc1ncc(CNC[C@H](C)CCO)cn1 ZINC000336770857 180152560 /nfs/dbraw/zinc/15/25/60/180152560.db2.gz XBVFJOUAMHEWQX-SECBINFHSA-N 0 3 209.293 0.893 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CC(F)F)C1 ZINC000309205986 350191853 /nfs/dbraw/zinc/19/18/53/350191853.db2.gz PYSZSRBHAAYVIH-PRJMDXOYSA-N 0 3 236.262 0.653 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC1(C)COC1 ZINC000637147160 350220120 /nfs/dbraw/zinc/22/01/20/350220120.db2.gz FGRLSADHDBZCPB-QMMMGPOBSA-N 0 3 215.297 0.025 20 0 BCADHN CN(C)C1(CNC(=O)CCCC(N)=O)CCC1 ZINC000427509934 191078761 /nfs/dbraw/zinc/07/87/61/191078761.db2.gz SFYOIEKIYWCPAG-UHFFFAOYSA-N 0 3 241.335 0.243 20 0 BCADHN CN(CCOC[C@H]1CCCO1)C[C@@H](O)C1CC1 ZINC000304787253 490386824 /nfs/dbraw/zinc/38/68/24/490386824.db2.gz PKWLIYMFMYYWJR-CHWSQXEVSA-N 0 3 243.347 0.885 20 0 BCADHN CN1CCC(NC(=O)N2CCCOCC2)CC1 ZINC000334456904 538071902 /nfs/dbraw/zinc/07/19/02/538071902.db2.gz IAPBFWVORFQSPH-UHFFFAOYSA-N 0 3 241.335 0.513 20 0 BCADHN Cc1nccc(CN2CC[C@@H]([C@@H](C)O)C2)n1 ZINC000352861201 180185976 /nfs/dbraw/zinc/18/59/76/180185976.db2.gz JOHLJIYXKPXZHE-MWLCHTKSSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1nccc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)n1 ZINC000352854797 180186174 /nfs/dbraw/zinc/18/61/74/180186174.db2.gz AJNGIOGIYHUXAL-UHTWSYAYSA-N 0 3 233.315 0.988 20 0 BCADHN Cc1nccc(CN2CC[C@H]([C@@H](C)O)C2)n1 ZINC000352861200 180186576 /nfs/dbraw/zinc/18/65/76/180186576.db2.gz JOHLJIYXKPXZHE-KOLCDFICSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1nccc(CN2CC[C@H](C)[C@H]2CO)n1 ZINC000353121960 180186710 /nfs/dbraw/zinc/18/67/10/180186710.db2.gz TWZDDKPKRZCRKO-JOYOIKCWSA-N 0 3 221.304 0.988 20 0 BCADHN CCSCCNCC(=O)N1CCN(C)CC1 ZINC000309238944 350214620 /nfs/dbraw/zinc/21/46/20/350214620.db2.gz WAQVBYWNDJCXJJ-UHFFFAOYSA-N 0 3 245.392 0.103 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2ccncn2)CCN1C ZINC000427518395 191080327 /nfs/dbraw/zinc/08/03/27/191080327.db2.gz FJLWEKWHTFPCJZ-NXEZZACHSA-N 0 3 234.303 0.689 20 0 BCADHN Cc1ncccc1CC(=O)NC[C@H](C)N(C)C ZINC000285072074 180216716 /nfs/dbraw/zinc/21/67/16/180216716.db2.gz HOMIGZIGPIVBCI-JTQLQIEISA-N 0 3 235.331 0.999 20 0 BCADHN Cc1ncccc1CC(=O)N[C@@H](C)CN(C)C ZINC000287303358 180217374 /nfs/dbraw/zinc/21/73/74/180217374.db2.gz VSTMSRDCSZVGCY-JTQLQIEISA-N 0 3 235.331 0.999 20 0 BCADHN Cc1ncccc1CN1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000377651298 180220030 /nfs/dbraw/zinc/22/00/30/180220030.db2.gz JVUHULHMYFVFCN-CHWSQXEVSA-N 0 3 245.326 0.958 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCC[C@H](C)C1 ZINC000007340564 350230945 /nfs/dbraw/zinc/23/09/45/350230945.db2.gz LRWIECATXMNMPK-YUMQZZPRSA-N 0 3 213.281 0.302 20 0 BCADHN CN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000147696138 191081066 /nfs/dbraw/zinc/08/10/66/191081066.db2.gz WDHYMIBMBDRVQH-SECBINFHSA-N 0 3 212.680 0.956 20 0 BCADHN Cc1nccn1CCCN(CC(N)=O)C(C)C ZINC000269125719 180238950 /nfs/dbraw/zinc/23/89/50/180238950.db2.gz CQNYQIUXXIAMMH-UHFFFAOYSA-N 0 3 238.335 0.777 20 0 BCADHN CC(C(=O)NCc1ccsc1)S(C)(=O)=O ZINC000049759317 350257533 /nfs/dbraw/zinc/25/75/33/350257533.db2.gz JXWXVAOPUVKEQJ-ZETCQYMHSA-N 0 3 247.341 0.797 20 0 BCADHN C[C@H]1[C@@H](NC(=O)C(C)(C)O)CCCN1C ZINC000427711930 191089248 /nfs/dbraw/zinc/08/92/48/191089248.db2.gz UYMJZPZJSQQYNV-IUCAKERBSA-N 0 3 214.309 0.356 20 0 BCADHN Cc1nccn1CCN(CC(N)=O)CC(C)C ZINC000270845534 180249059 /nfs/dbraw/zinc/24/90/59/180249059.db2.gz ONFVXYVXCHAMSA-UHFFFAOYSA-N 0 3 238.335 0.635 20 0 BCADHN Cc1nccn1CCN(C)[C@H]1CCN(C)C1=O ZINC000270917989 180250016 /nfs/dbraw/zinc/25/00/16/180250016.db2.gz UORQVLMFYVHQSL-NSHDSACASA-N 0 3 236.319 0.354 20 0 BCADHN Cc1nccn1CCN(C)CCOCCO ZINC000282299722 180251940 /nfs/dbraw/zinc/25/19/40/180251940.db2.gz GDOGDKXQTYUIGV-UHFFFAOYSA-N 0 3 227.308 0.132 20 0 BCADHN Cc1nccn1CCN1CCCOCC1 ZINC000336551537 180252203 /nfs/dbraw/zinc/25/22/03/180252203.db2.gz QCHOGXJUNKKLDS-UHFFFAOYSA-N 0 3 209.293 0.914 20 0 BCADHN Cc1nccn1CCN(C)[C@@H]1CCN(C)C1=O ZINC000270917987 180252366 /nfs/dbraw/zinc/25/23/66/180252366.db2.gz UORQVLMFYVHQSL-LLVKDONJSA-N 0 3 236.319 0.354 20 0 BCADHN Cc1nccn1CCN1CCCC[C@@H]1C(N)=O ZINC000270848750 180253120 /nfs/dbraw/zinc/25/31/20/180253120.db2.gz PEXHYSWCPHZALT-LLVKDONJSA-N 0 3 236.319 0.531 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000402390439 350253057 /nfs/dbraw/zinc/25/30/57/350253057.db2.gz SYUKRSFMEKCVGL-HLTSFMKQSA-N 0 3 232.349 0.360 20 0 BCADHN C[C@H]1[C@H](NC(=O)C(C)(C)O)CCCN1C ZINC000427711929 191088894 /nfs/dbraw/zinc/08/88/94/191088894.db2.gz UYMJZPZJSQQYNV-DTWKUNHWSA-N 0 3 214.309 0.356 20 0 BCADHN Cc1nccn1C[C@@H](C)CNC(=O)[C@H](C)N ZINC000178718160 180263978 /nfs/dbraw/zinc/26/39/78/180263978.db2.gz UCUYZQJYTFDGJW-IUCAKERBSA-N 0 3 224.308 0.291 20 0 BCADHN CC(C)CN1CCN(CC(=O)NC(C)C)CC1 ZINC000049969175 350270174 /nfs/dbraw/zinc/27/01/74/350270174.db2.gz GLHDGRCHUVFHFJ-UHFFFAOYSA-N 0 3 241.379 0.785 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](CO)[C@H]1C ZINC000427824567 191092641 /nfs/dbraw/zinc/09/26/41/191092641.db2.gz HZFNMNJMTSKWFC-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)N(C)C ZINC000037985586 350295768 /nfs/dbraw/zinc/29/57/68/350295768.db2.gz VPLGANBTUBONLV-QMMMGPOBSA-N 0 3 223.276 0.055 20 0 BCADHN COCc1cccc(CNC(=O)[C@@H](C)N)c1 ZINC000038010982 350296172 /nfs/dbraw/zinc/29/61/72/350296172.db2.gz WOXYQGSOQDAUDE-SECBINFHSA-N 0 3 222.288 0.796 20 0 BCADHN CCOC[C@@H](O)CN1CCCN(C)CC1 ZINC000068890503 350299008 /nfs/dbraw/zinc/29/90/08/350299008.db2.gz SVQSXZCULQTVRK-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN Cc1ncncc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000263989375 180293162 /nfs/dbraw/zinc/29/31/62/180293162.db2.gz FTLBPTGQIZWPFQ-JTQLQIEISA-N 0 3 234.303 0.561 20 0 BCADHN Cc1ncncc1C(=O)NCCN(C)C1CC1 ZINC000299264931 180293486 /nfs/dbraw/zinc/29/34/86/180293486.db2.gz FLFBCFDXGWQLLF-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN CCOC[C@@H](O)CN(CC)C[C@H]1CCCO1 ZINC000068950526 350312212 /nfs/dbraw/zinc/31/22/12/350312212.db2.gz YFJVJZOKFAUSNY-NWDGAFQWSA-N 0 3 231.336 0.885 20 0 BCADHN CC(C)C[C@@H](CO)N[C@@H]1CCCS(=O)(=O)C1 ZINC000068940119 350313670 /nfs/dbraw/zinc/31/36/70/350313670.db2.gz ZHCOFWALHKOZDI-MNOVXSKESA-N 0 3 249.376 0.560 20 0 BCADHN Cc1nccnc1[C@H](C)NCCCOCCO ZINC000188442813 180282709 /nfs/dbraw/zinc/28/27/09/180282709.db2.gz LEYUFXGSZHUBQR-JTQLQIEISA-N 0 3 239.319 0.835 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCOc2ccccc21 ZINC000050460169 350343023 /nfs/dbraw/zinc/34/30/23/350343023.db2.gz VGJZDKXYSCRXEL-DTWKUNHWSA-N 0 3 218.256 0.759 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CC(C)(C)O1 ZINC000050465552 350343670 /nfs/dbraw/zinc/34/36/70/350343670.db2.gz GDMYLGMIBUZSGM-HLTSFMKQSA-N 0 3 212.293 0.360 20 0 BCADHN CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1N ZINC000050464731 350343674 /nfs/dbraw/zinc/34/36/74/350343674.db2.gz DGEPHZSZZLZHOO-AEJSXWLSSA-N 0 3 212.293 0.361 20 0 BCADHN CCc1cnc(NC(=O)[C@@H]2C[C@@H]2N)s1 ZINC000335303387 350347435 /nfs/dbraw/zinc/34/74/35/350347435.db2.gz TWLFBVASQJOGOO-RQJHMYQMSA-N 0 3 211.290 0.991 20 0 BCADHN Cc1ncoc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000162374455 180297303 /nfs/dbraw/zinc/29/73/03/180297303.db2.gz AYHBOQKERWNUPO-JGVFFNPUSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1ncoc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000336155901 180297543 /nfs/dbraw/zinc/29/75/43/180297543.db2.gz KVEHGOBMCAPVNT-VXNVDRBHSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1ncoc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000336155897 180297962 /nfs/dbraw/zinc/29/79/62/180297962.db2.gz KVEHGOBMCAPVNT-APPZFPTMSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1ncoc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000353991857 180299553 /nfs/dbraw/zinc/29/95/53/180299553.db2.gz XDKBDVWKQSIYGU-VIFPVBQESA-N 0 3 223.276 0.665 20 0 BCADHN CCOC[C@H](O)CN1CCN([C@H](C)CC)CC1 ZINC000069277246 350352271 /nfs/dbraw/zinc/35/22/71/350352271.db2.gz PRRUDVKPSGLSOE-CHWSQXEVSA-N 0 3 244.379 0.800 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000606536022 350357941 /nfs/dbraw/zinc/35/79/41/350357941.db2.gz HAJGBPCSQODIFD-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CSCC[C@H](N)C(=O)N1CCO[C@H](C)C1 ZINC000040457877 350365687 /nfs/dbraw/zinc/36/56/87/350365687.db2.gz IDVFQGYBXNQOBU-BDAKNGLRSA-N 0 3 232.349 0.314 20 0 BCADHN Cc1ncsc1CCN(C)CCO ZINC000050285556 180306648 /nfs/dbraw/zinc/30/66/48/180306648.db2.gz IBHUKZKXHGLJJJ-UHFFFAOYSA-N 0 3 200.307 0.918 20 0 BCADHN CCOC(=O)C[C@H](O)CN[C@H]1CCOC1(C)C ZINC000328197201 350392453 /nfs/dbraw/zinc/39/24/53/350392453.db2.gz DAIRSEQOXQZWGR-UWVGGRQHSA-N 0 3 245.319 0.458 20 0 BCADHN CC1(C)OCC[C@@H]1N[C@H]1CCCS(=O)(=O)C1 ZINC000328259558 350395282 /nfs/dbraw/zinc/39/52/82/350395282.db2.gz RDIMTJVVSZUJKM-UWVGGRQHSA-N 0 3 247.360 0.721 20 0 BCADHN CCN1CC[C@@H](NC[C@@H](O)C(F)(F)F)C1 ZINC000328463664 350398290 /nfs/dbraw/zinc/39/82/90/350398290.db2.gz IJVRJTZCGRHTDJ-HTQZYQBOSA-N 0 3 226.242 0.593 20 0 BCADHN Cc1ncsc1CNCCOCCO ZINC000084149191 180320232 /nfs/dbraw/zinc/32/02/32/180320232.db2.gz JUIZHGTWKRNZOU-UHFFFAOYSA-N 0 3 216.306 0.550 20 0 BCADHN Cc1ncsc1CN[C@@H](C)CC(N)=O ZINC000129363656 180321684 /nfs/dbraw/zinc/32/16/84/180321684.db2.gz TUGIVZIVZTVQLA-LURJTMIESA-N 0 3 213.306 0.805 20 0 BCADHN CCCN(C)CC(=O)NCC[C@H](COC)OC ZINC000617234132 350404065 /nfs/dbraw/zinc/40/40/65/350404065.db2.gz CQAMEGUBFAEOQM-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@H]1CCC(=O)NC1 ZINC000110911076 180342586 /nfs/dbraw/zinc/34/25/86/180342586.db2.gz ITWWRUZAJWCOIP-JTQLQIEISA-N 0 3 236.319 0.405 20 0 BCADHN CC(C)C(=O)NCCOCCN(C)C ZINC000226265938 350412601 /nfs/dbraw/zinc/41/26/01/350412601.db2.gz JKIZCHKGXUALIW-UHFFFAOYSA-N 0 3 202.298 0.337 20 0 BCADHN CCN1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000336645116 350415077 /nfs/dbraw/zinc/41/50/77/350415077.db2.gz HRCUGFZDFKYUNT-UHFFFAOYSA-N 0 3 209.297 0.251 20 0 BCADHN 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C[C@@H](C(=O)N[C@H]1CCN(C(C)(C)C)C1)N(C)C ZINC000617347367 350813672 /nfs/dbraw/zinc/81/36/72/350813672.db2.gz KZMWJXVJYWGAEF-QWRGUYRKSA-N 0 3 241.379 0.926 20 0 BCADHN CCn1nncc1CNCCc1cncn1C ZINC000623085994 350843221 /nfs/dbraw/zinc/84/32/21/350843221.db2.gz RMZIYCDNTOJNQJ-UHFFFAOYSA-N 0 3 234.307 0.364 20 0 BCADHN CC(C)CN1CCCN([C@@H]2CCNC2=O)CC1 ZINC000366545640 350868225 /nfs/dbraw/zinc/86/82/25/350868225.db2.gz JREAVAOUWBQJNZ-GFCCVEGCSA-N 0 3 239.363 0.539 20 0 BCADHN Cn1cccc(NC(=O)CNCC2CC2)c1=O ZINC000157588412 187471644 /nfs/dbraw/zinc/47/16/44/187471644.db2.gz YELZOHZDBKERCO-UHFFFAOYSA-N 0 3 235.287 0.323 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CC=C(C)CC1 ZINC000382528982 350855732 /nfs/dbraw/zinc/85/57/32/350855732.db2.gz JBFSQZCZPIHZDY-NSHDSACASA-N 0 3 227.304 0.953 20 0 BCADHN CCOC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000051857390 350864146 /nfs/dbraw/zinc/86/41/46/350864146.db2.gz BYBKIFWFMGUPGB-SNVBAGLBSA-N 0 3 230.308 0.579 20 0 BCADHN CCN(CC(=O)NC1CC1)C[C@@H]1CCOC1 ZINC000052071626 350906592 /nfs/dbraw/zinc/90/65/92/350906592.db2.gz CONBMRQAAJOYCA-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN COc1ccc(NC(=O)[C@H](CN)OC)cc1N ZINC000577601366 366013308 /nfs/dbraw/zinc/01/33/08/366013308.db2.gz CKLLYAWVZLCFOD-JTQLQIEISA-N 0 3 239.275 0.190 20 0 BCADHN O=C(NCCO)NC[C@@H]1CCN1C1CCCC1 ZINC000626318645 350962146 /nfs/dbraw/zinc/96/21/46/350962146.db2.gz AJTCOQCRHPNVAH-NSHDSACASA-N 0 3 241.335 0.295 20 0 BCADHN CCCCCNC(=O)[C@H](C)N1CCNCC1 ZINC000019977207 350970881 /nfs/dbraw/zinc/97/08/81/350970881.db2.gz PXPCQGHPXXLOGV-NSHDSACASA-N 0 3 227.352 0.587 20 0 BCADHN Nc1ccc(C(=O)N2CCCNCC2)cc1 ZINC000035738376 358458601 /nfs/dbraw/zinc/45/86/01/358458601.db2.gz WVVMKHANHICDRR-UHFFFAOYSA-N 0 3 219.288 0.704 20 0 BCADHN OCCOCCNCc1ccc(O)cc1 ZINC000020198497 366018975 /nfs/dbraw/zinc/01/89/75/366018975.db2.gz NZQOZHSQHRHRLX-UHFFFAOYSA-N 0 3 211.261 0.491 20 0 BCADHN CC(C)(C)[C@@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC000335702910 191128939 /nfs/dbraw/zinc/12/89/39/191128939.db2.gz 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ZINC000628352577 351316722 /nfs/dbraw/zinc/31/67/22/351316722.db2.gz NKRIXQXSLBGNOU-SNVBAGLBSA-N 0 3 216.350 0.950 20 0 BCADHN Cc1ncc(CN(C)C2(CO)CCOCC2)o1 ZINC000628353073 351317585 /nfs/dbraw/zinc/31/75/85/351317585.db2.gz GELWJUBKVDVANV-UHFFFAOYSA-N 0 3 240.303 0.956 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1nonc1C ZINC000265521397 351270496 /nfs/dbraw/zinc/27/04/96/351270496.db2.gz HXHSLSBBBNNEEB-SECBINFHSA-N 0 3 238.291 0.592 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N[C@H](C)COC ZINC000034938810 351354630 /nfs/dbraw/zinc/35/46/30/351354630.db2.gz PIHGKXWGIMGWIT-ZJUUUORDSA-N 0 3 216.325 0.868 20 0 BCADHN OCC(CO)NCCOCc1ccccc1 ZINC000306936429 351361017 /nfs/dbraw/zinc/36/10/17/351361017.db2.gz JQFILFLFEDMFSB-UHFFFAOYSA-N 0 3 225.288 0.146 20 0 BCADHN C[C@@H]1CCCC[C@@H]1NCc1nnnn1C ZINC000380130671 351363860 /nfs/dbraw/zinc/36/38/60/351363860.db2.gz SSWBDLKTSQFMRU-BDAKNGLRSA-N 0 3 209.297 0.878 20 0 BCADHN O=S1(=O)CCC[C@H]1CN[C@H]1CCSC1 ZINC000087970409 351435577 /nfs/dbraw/zinc/43/55/77/351435577.db2.gz SIEVNSCJGUBXMT-IUCAKERBSA-N 0 3 235.374 0.659 20 0 BCADHN C=Cn1cc(CNC[C@H]2COCCN2C)cn1 ZINC000623712334 363034767 /nfs/dbraw/zinc/03/47/67/363034767.db2.gz BIRQTYWSBMYEGH-LBPRGKRZSA-N 0 3 236.319 0.404 20 0 BCADHN CC[C@H](COC)N[C@H]1CC(=O)N(CC)C1 ZINC000391526213 351531093 /nfs/dbraw/zinc/53/10/93/351531093.db2.gz VHZOIRZPGLJCGP-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CSCCCNC(=O)C1(N)CCC1 ZINC000088051213 351539102 /nfs/dbraw/zinc/53/91/02/351539102.db2.gz FTXRXOJJSSMMNS-UHFFFAOYSA-N 0 3 202.323 0.737 20 0 BCADHN CN[C@@H](C)C(=O)Nc1nnc2cc(C)ccn21 ZINC000577626953 366025276 /nfs/dbraw/zinc/02/52/76/366025276.db2.gz ZOXHGTRQSDCODK-QMMMGPOBSA-N 0 3 233.275 0.584 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)C1(CO)CC1 ZINC000617904419 351597385 /nfs/dbraw/zinc/59/73/85/351597385.db2.gz IZONREPBUKTLME-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)NCC(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000388748590 351601206 /nfs/dbraw/zinc/60/12/06/351601206.db2.gz 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20 0 BCADHN C[C@H](C[C@H]1CCOC1)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638017193 351895881 /nfs/dbraw/zinc/89/58/81/351895881.db2.gz AEWLMEABTYWSML-CHWFTXMASA-N 0 3 242.319 0.034 20 0 BCADHN CO[C@]1(CN(C)CCn2cccn2)CCOC1 ZINC000638074058 351945715 /nfs/dbraw/zinc/94/57/15/351945715.db2.gz RVABEPRKUBARMW-LBPRGKRZSA-N 0 3 239.319 0.620 20 0 BCADHN CCN[C@H](C)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000638018793 351897680 /nfs/dbraw/zinc/89/76/80/351897680.db2.gz UJLLVJXOCFCNKQ-NXEZZACHSA-N 0 3 230.352 0.898 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)COCCOC ZINC000638020223 351898947 /nfs/dbraw/zinc/89/89/47/351898947.db2.gz GEZUCPDOIMXPKD-VHSXEESVSA-N 0 3 232.324 0.152 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)COCCOC ZINC000638020220 351899046 /nfs/dbraw/zinc/89/90/46/351899046.db2.gz GEZUCPDOIMXPKD-NXEZZACHSA-N 0 3 232.324 0.152 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](C)COCCOC ZINC000638020224 351899089 /nfs/dbraw/zinc/89/90/89/351899089.db2.gz GEZUCPDOIMXPKD-ZJUUUORDSA-N 0 3 232.324 0.152 20 0 BCADHN CC[C@H](C)[C@@H](CN(CCO)CCOC)OC ZINC000638022447 351901060 /nfs/dbraw/zinc/90/10/60/351901060.db2.gz RMUIWKYQHXWUIY-NWDGAFQWSA-N 0 3 233.352 0.988 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@H](OC)C(C)C ZINC000638032557 351911872 /nfs/dbraw/zinc/91/18/72/351911872.db2.gz OHRRKHSXLQPXMM-NXEZZACHSA-N 0 3 216.325 0.772 20 0 BCADHN CCN[C@H](C)C(=O)NCc1nccs1 ZINC000638077198 351952652 /nfs/dbraw/zinc/95/26/52/351952652.db2.gz QOFJKUBYVAQABN-SSDOTTSWSA-N 0 3 213.306 0.757 20 0 BCADHN Cn1cc(CN[C@H]2COC[C@H]2C2CC2)cn1 ZINC000725269935 538101714 /nfs/dbraw/zinc/10/17/14/538101714.db2.gz UCPKFISNTDCSGR-RYUDHWBXSA-N 0 3 221.304 0.935 20 0 BCADHN CCN[C@H](C)C(=O)N(C)Cc1cnccn1 ZINC000638086094 351963242 /nfs/dbraw/zinc/96/32/42/351963242.db2.gz BSFWBLUKJJCGIR-SECBINFHSA-N 0 3 222.292 0.433 20 0 BCADHN C[C@@H](O)CCN(C)Cc1ccc(=O)[nH]c1 ZINC000638092604 351969307 /nfs/dbraw/zinc/96/93/07/351969307.db2.gz KRNHWKUJJKPPTG-SECBINFHSA-N 0 3 210.277 0.990 20 0 BCADHN COCCNCCNC(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000638151471 352011890 /nfs/dbraw/zinc/01/18/90/352011890.db2.gz CVHSDISSMYUSKA-GARJFASQSA-N 0 3 244.335 0.152 20 0 BCADHN CC[C@@H](C)[C@H](CN1C[C@@H](O)[C@@H](O)C1)OC ZINC000638094536 351974270 /nfs/dbraw/zinc/97/42/70/351974270.db2.gz IXGQDJCNCOMJPD-ZNSHCXBVSA-N 0 3 217.309 0.085 20 0 BCADHN C[C@H]1CN(Cc2cnc(N)nc2N)C[C@H]1C ZINC000638094614 351974324 /nfs/dbraw/zinc/97/43/24/351974324.db2.gz VFHKKJPQOIICIO-OCAPTIKFSA-N 0 3 221.308 0.390 20 0 BCADHN CO[C@@H]1CN[C@](C)(C(=O)Nc2ccncc2C)C1 ZINC000638098758 351978964 /nfs/dbraw/zinc/97/89/64/351978964.db2.gz ONBCWPRNHSIBFS-GWCFXTLKSA-N 0 3 249.314 0.517 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NCc1nccn1C ZINC000638101527 351980765 /nfs/dbraw/zinc/98/07/65/351980765.db2.gz DXUFNSQIVYMSOT-SNVBAGLBSA-N 0 3 238.335 0.800 20 0 BCADHN CO[C@@]1(CN2CCc3cn[nH]c3C2)CCOC1 ZINC000638109654 351986030 /nfs/dbraw/zinc/98/60/30/351986030.db2.gz VUPMRQVTMLLERQ-GFCCVEGCSA-N 0 3 237.303 0.573 20 0 BCADHN CCN[C@H](C)C(=O)NCCc1ncc[nH]1 ZINC000638111784 351989655 /nfs/dbraw/zinc/98/96/55/351989655.db2.gz FZQXBKMWYOKXCL-MRVPVSSYSA-N 0 3 210.281 0.066 20 0 BCADHN CCN[C@H](C)C(=O)NCc1ccn2ccnc2c1 ZINC000638119395 351993572 /nfs/dbraw/zinc/99/35/72/351993572.db2.gz QIVPLPYUHMHBSK-SNVBAGLBSA-N 0 3 246.314 0.949 20 0 BCADHN CCN[C@H](C)C(=O)NCc1ccc(=O)[nH]c1 ZINC000638123414 351996200 /nfs/dbraw/zinc/99/62/00/351996200.db2.gz SHVQIQJVULDMDV-MRVPVSSYSA-N 0 3 223.276 0.401 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@]2(N)CC2(F)F)C1 ZINC000638126596 351997658 /nfs/dbraw/zinc/99/76/58/351997658.db2.gz OSVBVHRQBCQVMP-WCBMZHEXSA-N 0 3 247.289 0.181 20 0 BCADHN Nc1ncc(CN2CC[C@H](C3CC3)C2)c(N)n1 ZINC000638131414 352002003 /nfs/dbraw/zinc/00/20/03/352002003.db2.gz BPMONSUQZLSDJW-VIFPVBQESA-N 0 3 233.319 0.534 20 0 BCADHN NC(=O)C[C@@H]1CCCN(Cc2ccc(=O)[nH]c2)C1 ZINC000638137644 352004026 /nfs/dbraw/zinc/00/40/26/352004026.db2.gz XSCGBXGEBKCRRR-JTQLQIEISA-N 0 3 249.314 0.875 20 0 BCADHN CN(CC1CCSCC1)[C@@H]1CCNC1=O ZINC000638180448 352044330 /nfs/dbraw/zinc/04/43/30/352044330.db2.gz DYPJXDRLMJIAAW-SNVBAGLBSA-N 0 3 228.361 0.950 20 0 BCADHN Cc1cnc(CNC(=O)C(C)(C)N)s1 ZINC000083889351 352049987 /nfs/dbraw/zinc/04/99/87/352049987.db2.gz FOGKBAPVJHEDLA-UHFFFAOYSA-N 0 3 213.306 0.805 20 0 BCADHN CN(CCC[C@@H]1CCO1)[C@@H]1CCNC1=O ZINC000638185620 352050199 /nfs/dbraw/zinc/05/01/99/352050199.db2.gz ZOYIWFJHYXJFHH-NXEZZACHSA-N 0 3 212.293 0.376 20 0 BCADHN CC[NH2+][C@H](C)CNC(=O)c1cc(F)c[n-]c1=O ZINC000638212993 352075376 /nfs/dbraw/zinc/07/53/76/352075376.db2.gz CVGSFIZMGOCKLV-SSDOTTSWSA-N 0 3 241.266 0.654 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000638198403 352061842 /nfs/dbraw/zinc/06/18/42/352061842.db2.gz JUZWGURTNSRQTF-PSASIEDQSA-N 0 3 248.286 0.006 20 0 BCADHN Cc1cncn1CC(=O)N1CCN[C@H](C)[C@H]1C ZINC000638205555 352067379 /nfs/dbraw/zinc/06/73/79/352067379.db2.gz ICBXLFZGVMBGQM-GHMZBOCLSA-N 0 3 236.319 0.400 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000638204804 352067514 /nfs/dbraw/zinc/06/75/14/352067514.db2.gz FQYSPYAMXMWLAR-WPRPVWTQSA-N 0 3 236.319 0.469 20 0 BCADHN CC[C@H](C(=O)N1CCN[C@H](C)[C@@H]1C)N(C)C ZINC000638205598 352067951 /nfs/dbraw/zinc/06/79/51/352067951.db2.gz IMDBGFYVUKRMFP-OUAUKWLOSA-N 0 3 227.352 0.535 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cc(=O)[nH]cn2)[C@@H]1C ZINC000638206664 352068885 /nfs/dbraw/zinc/06/88/85/352068885.db2.gz MUWSNPFNFGUBNZ-HTQZYQBOSA-N 0 3 236.275 0.005 20 0 BCADHN C[C@H](C(=O)N1CCN[C@@H](C)[C@H]1C)N(C)C ZINC000638207106 352069238 /nfs/dbraw/zinc/06/92/38/352069238.db2.gz XZIQPEUJTYWJCJ-IVZWLZJFSA-N 0 3 213.325 0.145 20 0 BCADHN COC1CC(C(=O)N2CCN[C@H](C)[C@@H]2C)C1 ZINC000638207638 352069839 /nfs/dbraw/zinc/06/98/39/352069839.db2.gz QJWDYXHTFCYKQV-MFQSTILNSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@@H]1NCCN(C(=O)C23CC(C2)C3)[C@H]1C ZINC000638208577 352070518 /nfs/dbraw/zinc/07/05/18/352070518.db2.gz UYWCNOKRODNKSX-RKVXJDFWSA-N 0 3 208.305 0.995 20 0 BCADHN C[C@H]1NCCN(C(=O)COCC(F)F)[C@@H]1C ZINC000638208552 352070675 /nfs/dbraw/zinc/07/06/75/352070675.db2.gz UMXWGIMGBMTOOP-HTQZYQBOSA-N 0 3 236.262 0.477 20 0 BCADHN C[C@@H]1CN(C(=O)c2cccnn2)[C@@H](C)CN1 ZINC000638155106 352016082 /nfs/dbraw/zinc/01/60/82/352016082.db2.gz DQPSIFBAZKZUET-BDAKNGLRSA-N 0 3 220.276 0.299 20 0 BCADHN COCCNCCNC(=O)[C@H]1CCCC12CC2 ZINC000638155204 352016192 /nfs/dbraw/zinc/01/61/92/352016192.db2.gz STPBIZSOPKULAA-LLVKDONJSA-N 0 3 240.347 0.919 20 0 BCADHN Cc1cncn1CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000638155676 352018168 /nfs/dbraw/zinc/01/81/68/352018168.db2.gz FTRFESADJYTGIS-GXSJLCMTSA-N 0 3 236.319 0.400 20 0 BCADHN C[C@@H](CC[NH3+])NC(=O)c1cc(F)c[n-]c1=O ZINC000638157139 352021538 /nfs/dbraw/zinc/02/15/38/352021538.db2.gz SXHOTSKRRIQTOW-LURJTMIESA-N 0 3 227.239 0.393 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cn(C2CC2)nn1 ZINC000638157989 352022146 /nfs/dbraw/zinc/02/21/46/352022146.db2.gz NPGXNXUZKRXDDO-DTWKUNHWSA-N 0 3 249.318 0.435 20 0 BCADHN C[C@@H]1CN(C(=O)c2coc(CO)c2)[C@H](C)CN1 ZINC000638159698 352023820 /nfs/dbraw/zinc/02/38/20/352023820.db2.gz SOVJJXAMYDCFQA-RKDXNWHRSA-N 0 3 238.287 0.594 20 0 BCADHN CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000638159747 352023925 /nfs/dbraw/zinc/02/39/25/352023925.db2.gz YHJWCIWQHRWKIP-KKZNHRDASA-N 0 3 241.335 0.110 20 0 BCADHN CCN[C@H](C)C(=O)N1CCO[C@H](C)[C@@H]1C ZINC000638170889 352037631 /nfs/dbraw/zinc/03/76/31/352037631.db2.gz RTOLQMIZNRQBTL-KXUCPTDWSA-N 0 3 214.309 0.620 20 0 BCADHN CC[C@H]1CCN(Cc2cnc(N)nc2N)C1 ZINC000638170989 352038416 /nfs/dbraw/zinc/03/84/16/352038416.db2.gz NQFAYYFMYJEYCC-QMMMGPOBSA-N 0 3 221.308 0.534 20 0 BCADHN CCC[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000638282878 352118520 /nfs/dbraw/zinc/11/85/20/352118520.db2.gz QOPHALIAJHTUQQ-OUAUKWLOSA-N 0 3 242.319 0.130 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000638283466 352119260 /nfs/dbraw/zinc/11/92/60/352119260.db2.gz UJJNMUWYOFDJDB-AEJSXWLSSA-N 0 3 214.309 0.668 20 0 BCADHN CCN[C@H](C)C(=O)N1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000638282613 352120498 /nfs/dbraw/zinc/12/04/98/352120498.db2.gz GEYMJXVUDDPLSH-OPRDCNLKSA-N 0 3 241.335 0.097 20 0 BCADHN CCC[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)NCC ZINC000638291647 352126928 /nfs/dbraw/zinc/12/69/28/352126928.db2.gz RXKHTUSGEHFMDH-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CCO[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1)C1CC1 ZINC000638249038 352095426 /nfs/dbraw/zinc/09/54/26/352095426.db2.gz VAEONAXTGNMIMW-DCAQKATOSA-N 0 3 244.310 0.618 20 0 BCADHN C[C@H](C(=O)N1CCNC[C@@](C)(F)C1)N(C)C ZINC000638253331 352096283 /nfs/dbraw/zinc/09/62/83/352096283.db2.gz LJONYXLZOZORDP-MWLCHTKSSA-N 0 3 231.315 0.097 20 0 BCADHN C[C@H]([NH3+])[C@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000638256125 352102884 /nfs/dbraw/zinc/10/28/84/352102884.db2.gz OCJLHOJENILPNW-WDSKDSINSA-N 0 3 227.239 0.392 20 0 BCADHN C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000638256124 352103118 /nfs/dbraw/zinc/10/31/18/352103118.db2.gz OCJLHOJENILPNW-RITPCOANSA-N 0 3 227.239 0.392 20 0 BCADHN C[C@@H](N)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000083960935 352105144 /nfs/dbraw/zinc/10/51/44/352105144.db2.gz DOABCDKPJKFDNY-SECBINFHSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@H](COCC1CC1)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638392213 352198089 /nfs/dbraw/zinc/19/80/89/352198089.db2.gz WIODKLFYPGSPSO-DVVUODLYSA-N 0 3 242.319 0.034 20 0 BCADHN CN(CCC(C)(C)C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638373817 352186261 /nfs/dbraw/zinc/18/62/61/352186261.db2.gz JPLZHMSNYBQDNR-VHSXEESVSA-N 0 3 228.336 0.997 20 0 BCADHN CN1CC[C@@H]2CCN(C(=O)[C@H](O)C3CC3)[C@H]2C1 ZINC000613329165 363110028 /nfs/dbraw/zinc/11/00/28/363110028.db2.gz QIPOLFZBKZVVSZ-ADEWGFFLSA-N 0 3 238.331 0.310 20 0 BCADHN C[C@@H]1SCC[C@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638381546 352193289 /nfs/dbraw/zinc/19/32/89/352193289.db2.gz MLARCFBVNZADEC-RBXMUDONSA-N 0 3 230.333 0.113 20 0 BCADHN C[C@H]1CCCCN(C(=O)CN2CCNCC2)C1 ZINC000638313072 352139255 /nfs/dbraw/zinc/13/92/55/352139255.db2.gz OUOIXDKFJSRQSG-LBPRGKRZSA-N 0 3 239.363 0.540 20 0 BCADHN Cc1nnc(NC(=O)[C@H](N)CCC(C)C)n1C ZINC000638316565 352141502 /nfs/dbraw/zinc/14/15/02/352141502.db2.gz MQRSATBFHVWUJL-SECBINFHSA-N 0 3 239.323 0.826 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)[C@H](C)OC ZINC000638322081 352144337 /nfs/dbraw/zinc/14/43/37/352144337.db2.gz UNIZXRNDKVAJQU-YIZRAAEISA-N 0 3 202.298 0.524 20 0 BCADHN CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OCC[C@@H]1N ZINC000638429331 352238013 /nfs/dbraw/zinc/23/80/13/352238013.db2.gz GGYJXCXLEOWJFV-OLSMOAAXSA-N 0 3 238.331 0.892 20 0 BCADHN CCN[C@H](C)C(=O)N(C)[C@@H](C)c1nc(C)no1 ZINC000638397449 352201808 /nfs/dbraw/zinc/20/18/08/352201808.db2.gz KWUTXSVSOWNWBG-SFYZADRCSA-N 0 3 240.307 0.895 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)[C@H](C)c1nc(C)no1 ZINC000638397448 352201975 /nfs/dbraw/zinc/20/19/75/352201975.db2.gz KWUTXSVSOWNWBG-JGVFFNPUSA-N 0 3 240.307 0.895 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000638395932 352203693 /nfs/dbraw/zinc/20/36/93/352203693.db2.gz ZRYKACZCRIYOHX-XDTLVQLUSA-N 0 3 248.326 0.759 20 0 BCADHN CC(C)CC1(NC(=O)CN2CCNCC2)CC1 ZINC000638432408 352240918 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353076846 /nfs/dbraw/zinc/07/68/46/353076846.db2.gz BPRFMBANODMZKN-JTQLQIEISA-N 0 3 248.330 0.523 20 0 BCADHN CO[C@@](C)(CNCC(=O)N(C)C)C1CC1 ZINC000393728896 353068131 /nfs/dbraw/zinc/06/81/31/353068131.db2.gz BURTXZIMTQPFGZ-NSHDSACASA-N 0 3 214.309 0.479 20 0 BCADHN C[C@@H](NCC(=O)N(C)C)[C@H]1CC1(F)F ZINC000638864736 353038673 /nfs/dbraw/zinc/03/86/73/353038673.db2.gz CGTPTMNAYWPESJ-RNFRBKRXSA-N 0 3 206.236 0.708 20 0 BCADHN CCN(C)CCNC(=O)[C@H](CC(C)C)C(N)=O ZINC000412126194 191263203 /nfs/dbraw/zinc/26/32/03/191263203.db2.gz RHFRIMNTLOHLRD-SNVBAGLBSA-N 0 3 243.351 0.202 20 0 BCADHN C[C@@H](Cc1cnccn1)N[C@@H]1C=C[C@H](CO)C1 ZINC000638876151 353042238 /nfs/dbraw/zinc/04/22/38/353042238.db2.gz DCMXYRKKIZHVPD-SDDRHHMPSA-N 0 3 233.315 0.934 20 0 BCADHN C[C@H]1CCN(CCNCc2ncnn2C)C1 ZINC000638872001 353043385 /nfs/dbraw/zinc/04/33/85/353043385.db2.gz PJBLIPJOOCGUGN-JTQLQIEISA-N 0 3 223.324 0.247 20 0 BCADHN CCC[C@H](CN[C@@](C)(CO)COC)OC ZINC000638873720 353043784 /nfs/dbraw/zinc/04/37/84/353043784.db2.gz KNIFZKRRFCJFHF-MNOVXSKESA-N 0 3 219.325 0.789 20 0 BCADHN CO[C@@H](CN[C@H](C)C(=O)N(C)C)[C@H]1CCOC1 ZINC000638874981 353045201 /nfs/dbraw/zinc/04/52/01/353045201.db2.gz ZXSGTFXDNQEUKG-VWYCJHECSA-N 0 3 244.335 0.104 20 0 BCADHN CCOC1CN(C(=O)C2CCN(C)CC2)C1 ZINC000334430325 353104970 /nfs/dbraw/zinc/10/49/70/353104970.db2.gz VBIDQHIOIQLPGU-UHFFFAOYSA-N 0 3 226.320 0.576 20 0 BCADHN Cc1ccc([O-])c(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000638916095 353077640 /nfs/dbraw/zinc/07/76/40/353077640.db2.gz XVGNUNFGANXQTC-UWVGGRQHSA-N 0 3 232.283 0.887 20 0 BCADHN O=C(c1ccccc1[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924673 353085143 /nfs/dbraw/zinc/08/51/43/353085143.db2.gz BLCSIEJJCGEWLD-AOOOYVTPSA-N 0 3 232.283 0.969 20 0 BCADHN CCN(CC)CC(=O)NCC1(O)CCC1 ZINC000073879193 353131733 /nfs/dbraw/zinc/13/17/33/353131733.db2.gz CACLFRAMEFXGRS-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN COCCCN(C)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188452879 353158307 /nfs/dbraw/zinc/15/83/07/353158307.db2.gz QIIDCBGRPDOXRM-DTWKUNHWSA-N 0 3 218.272 0.181 20 0 BCADHN CC(C(=O)NCc1ccoc1)S(C)(=O)=O ZINC000048998717 353159086 /nfs/dbraw/zinc/15/90/86/353159086.db2.gz ODYGEDAJZITNSI-SSDOTTSWSA-N 0 3 231.273 0.329 20 0 BCADHN CC(C(=O)NCc1ccoc1)S(C)(=O)=O ZINC000048998716 353159226 /nfs/dbraw/zinc/15/92/26/353159226.db2.gz ODYGEDAJZITNSI-ZETCQYMHSA-N 0 3 231.273 0.329 20 0 BCADHN CC(C)[C@@H](CO)NCc1cccc(C(N)=O)c1 ZINC000080789522 535202206 /nfs/dbraw/zinc/20/22/06/535202206.db2.gz NXBULWXNUGJAKW-GFCCVEGCSA-N 0 3 236.315 0.892 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000353787705 188061460 /nfs/dbraw/zinc/06/14/60/188061460.db2.gz AXHULVJPTVILMK-DLOVCJGASA-N 0 3 240.347 0.602 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ncn(C)n2)CCN1C ZINC000354648919 188063192 /nfs/dbraw/zinc/06/31/92/188063192.db2.gz ZNXWVGLQCAXDSJ-BDAKNGLRSA-N 0 3 237.307 0.028 20 0 BCADHN CC[C@H](O)[C@H]1CCCCN1CC(=O)N1CCC1 ZINC000358201452 188067231 /nfs/dbraw/zinc/06/72/31/188067231.db2.gz WGTOATGMIAVVHH-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN CCOC[C@H]1CCN(CC(=O)N(C)CC)C1 ZINC000357952268 188067399 /nfs/dbraw/zinc/06/73/99/188067399.db2.gz AQUUXHUCMXKJIT-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN CC(C)(C)[C@@H]1CCN([C@@H]2COC[C@H]2O)C[C@@H]1O ZINC000361348089 188070791 /nfs/dbraw/zinc/07/07/91/188070791.db2.gz HBFZFCGTXHJGMO-WISYIIOYSA-N 0 3 243.347 0.475 20 0 BCADHN CC(C)CC[C@@H](O)CN1CCNC(=O)C[C@@H]1C ZINC000373604192 188076509 /nfs/dbraw/zinc/07/65/09/188076509.db2.gz OWPABWHGCKHIQK-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN OCCCN(CCO)C[C@H](O)CC1CCCC1 ZINC000354892314 188084827 /nfs/dbraw/zinc/08/48/27/188084827.db2.gz MLWGKITYCQZRMC-CYBMUJFWSA-N 0 3 245.363 0.604 20 0 BCADHN CNC(=O)CCNCc1ccc(F)nc1C ZINC000278530577 188094887 /nfs/dbraw/zinc/09/48/87/188094887.db2.gz RPTAKHWHJGTTSQ-UHFFFAOYSA-N 0 3 225.267 0.755 20 0 BCADHN CC(C)CN(C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000049442346 353165430 /nfs/dbraw/zinc/16/54/30/353165430.db2.gz ZDOWSZDLYFYTAS-VIFPVBQESA-N 0 3 241.335 0.951 20 0 BCADHN CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000049575488 353168005 /nfs/dbraw/zinc/16/80/05/353168005.db2.gz KEQYWOFZUKXFKT-VXGBXAGGSA-N 0 3 241.379 0.962 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCN1CCCCC1 ZINC000049575488 353168007 /nfs/dbraw/zinc/16/80/07/353168007.db2.gz KEQYWOFZUKXFKT-VXGBXAGGSA-N 0 3 241.379 0.962 20 0 BCADHN CCOC1CC(CNCc2cn(C)nn2)C1 ZINC000638981918 353196154 /nfs/dbraw/zinc/19/61/54/353196154.db2.gz ZCHONXLTPIJTKA-UHFFFAOYSA-N 0 3 224.308 0.720 20 0 BCADHN CC(=O)NCCN[C@@H](C)C(=O)NCCC(C)C ZINC000035206958 188111251 /nfs/dbraw/zinc/11/12/51/188111251.db2.gz YANZGNAJECKIII-JTQLQIEISA-N 0 3 243.351 0.263 20 0 BCADHN CC(=O)NCCNC[C@@H](O)c1ccccc1 ZINC000037848611 188114906 /nfs/dbraw/zinc/11/49/06/188114906.db2.gz QANUWBZFXIHHQN-GFCCVEGCSA-N 0 3 222.288 0.446 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC[C@@H]1CCCOC1 ZINC000038046152 188116691 /nfs/dbraw/zinc/11/66/91/188116691.db2.gz PDDSKFNDOSDMHV-QWRGUYRKSA-N 0 3 228.336 0.903 20 0 BCADHN COCC[C@H](C)NC(=O)[C@H]1CCCCN1 ZINC000081711552 188119965 /nfs/dbraw/zinc/11/99/65/188119965.db2.gz VWDOSIXADCYHDZ-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@@H](C(=O)N1CCNC(=O)C[C@@H]1C)N(C)C ZINC000370643325 188105891 /nfs/dbraw/zinc/10/58/91/188105891.db2.gz JDLYKNAXSZZQTI-UWVGGRQHSA-N 0 3 241.335 0.064 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H](CCO)C(C)C ZINC000225448221 535208537 /nfs/dbraw/zinc/20/85/37/535208537.db2.gz QJYKKRWTWHYQQE-NXEZZACHSA-N 0 3 216.325 0.493 20 0 BCADHN C/C=C\CS(=O)(=O)C(C)C(=O)N(C)C ZINC000209742537 188151603 /nfs/dbraw/zinc/15/16/03/188151603.db2.gz ZUTYOHCODOCTTM-SLGIHZDVSA-N 0 3 219.306 0.454 20 0 BCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC1CC1 ZINC000228882995 188156034 /nfs/dbraw/zinc/15/60/34/188156034.db2.gz BDJNNIHUMYWXNP-OPQQBVKSSA-N 0 3 238.331 0.798 20 0 BCADHN CC[C@@H](C(=O)N1CCCC[C@@H](CO)C1)N(C)C ZINC000371278733 188156332 /nfs/dbraw/zinc/15/63/32/188156332.db2.gz CGTMJDMEJIMMRX-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CC1(F)CCN(C(=O)CN2CCNCC2)CC1 ZINC000638995638 353237473 /nfs/dbraw/zinc/23/74/73/353237473.db2.gz ZBAUCYYMUHEYLT-UHFFFAOYSA-N 0 3 243.326 0.242 20 0 BCADHN CC(C)(CN1CCCC1)NS(C)(=O)=O ZINC000308704448 188164231 /nfs/dbraw/zinc/16/42/31/188164231.db2.gz KGNRLRZLFYIZQH-UHFFFAOYSA-N 0 3 220.338 0.410 20 0 BCADHN CC(C)[C@H](O)CN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000336695516 188165117 /nfs/dbraw/zinc/16/51/17/188165117.db2.gz YHEOAXOYNFSNBK-WCBMZHEXSA-N 0 3 225.292 0.850 20 0 BCADHN CNCC(=O)Nc1c2c(nn1C)CCCC2 ZINC000638991060 353225686 /nfs/dbraw/zinc/22/56/86/353225686.db2.gz SZMYKXBROJMXAW-UHFFFAOYSA-N 0 3 222.292 0.457 20 0 BCADHN COc1ccc([C@H](CCO)NCCO)cc1 ZINC000182384589 188168192 /nfs/dbraw/zinc/16/81/92/188168192.db2.gz YSZGPBGBHKAHBN-LBPRGKRZSA-N 0 3 225.288 0.701 20 0 BCADHN CO[C@H](C)CNCc1cnc2cnccn12 ZINC000309957598 188170063 /nfs/dbraw/zinc/17/00/63/188170063.db2.gz JHBQZCMODLBFNJ-SECBINFHSA-N 0 3 220.276 0.854 20 0 BCADHN NCC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000638992178 353228667 /nfs/dbraw/zinc/22/86/67/353228667.db2.gz CHYJJTCQIQSEJI-AAEUAGOBSA-N 0 3 234.299 0.839 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@@H](C)[C@@H]1CO ZINC000191182477 188173557 /nfs/dbraw/zinc/17/35/57/188173557.db2.gz VEHJNRZDEBJUPU-SKDRFNHKSA-N 0 3 223.320 0.931 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1cnn(C)c1 ZINC000041055044 188150118 /nfs/dbraw/zinc/15/01/18/188150118.db2.gz OEWCQARIYHUFCK-VIFPVBQESA-N 0 3 210.281 0.020 20 0 BCADHN CCn1ncnc1CNCC1CCOCC1 ZINC000083978185 538112729 /nfs/dbraw/zinc/11/27/29/538112729.db2.gz NKDOADGRTLQGOR-UHFFFAOYSA-N 0 3 224.308 0.814 20 0 BCADHN C/C=C(\C)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000267545969 188196535 /nfs/dbraw/zinc/19/65/35/188196535.db2.gz BWJFJQKOWNWBCK-LLMHMKPQSA-N 0 3 226.320 0.790 20 0 BCADHN CNCC(=O)Nc1ccc(OC)c(COC)c1 ZINC000639002413 353248924 /nfs/dbraw/zinc/24/89/24/353248924.db2.gz DYQAVRNZISNBJP-UHFFFAOYSA-N 0 3 238.287 1.000 20 0 BCADHN C=Cn1cc(CN2CCC[C@@H](C(=O)NC)C2)cn1 ZINC000193946291 188175175 /nfs/dbraw/zinc/17/51/75/188175175.db2.gz WXVKDWZPISYOAZ-GFCCVEGCSA-N 0 3 248.330 0.942 20 0 BCADHN C[C@H](N)C(=O)Nc1ccnn1CC1CCC1 ZINC000639004034 353253529 /nfs/dbraw/zinc/25/35/29/353253529.db2.gz FLGRMEZQPMEHHM-QMMMGPOBSA-N 0 3 222.292 0.969 20 0 BCADHN CC(C)N1CC[C@@H](N(CCO)CC2CC2)C1=O ZINC000336720905 188183110 /nfs/dbraw/zinc/18/31/10/188183110.db2.gz YONCASCGPHBYTG-GFCCVEGCSA-N 0 3 240.347 0.700 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000639005584 353257642 /nfs/dbraw/zinc/25/76/42/353257642.db2.gz ZTBJJBDKOQIJEU-RNFRBKRXSA-N 0 3 222.210 0.805 20 0 BCADHN CCN(CC)CC(=O)N(C)CCCCCO ZINC000337578115 188186370 /nfs/dbraw/zinc/18/63/70/188186370.db2.gz YJSQGOUYCNCSBR-UHFFFAOYSA-N 0 3 230.352 0.949 20 0 BCADHN C(C1CCOCC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000338369497 188188494 /nfs/dbraw/zinc/18/84/94/188188494.db2.gz SRAVSMAOQIDDDA-TXEJJXNPSA-N 0 3 227.304 0.513 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@H](COC)C1)N(C)C ZINC000338961127 188189274 /nfs/dbraw/zinc/18/92/74/188189274.db2.gz OKAFPDYZCYYHLB-QWRGUYRKSA-N 0 3 228.336 0.822 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@](F)(CO)C1 ZINC000338737096 188189986 /nfs/dbraw/zinc/18/99/86/188189986.db2.gz PTKVCFYSGOASLO-LLVKDONJSA-N 0 3 232.299 0.260 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000339191463 188190632 /nfs/dbraw/zinc/19/06/32/188190632.db2.gz RKPHSZVGRRIYQU-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN CC(=O)Nc1ccc(CCNC(=O)CN)cc1 ZINC000236746901 188190840 /nfs/dbraw/zinc/19/08/40/188190840.db2.gz DRQIJOUNGUZZMO-UHFFFAOYSA-N 0 3 235.287 0.262 20 0 BCADHN CC(C)(N)C(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000236797930 188190936 /nfs/dbraw/zinc/19/09/36/188190936.db2.gz SXSHEYOKVOEYEE-JTQLQIEISA-N 0 3 240.278 0.713 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000236667931 188191281 /nfs/dbraw/zinc/19/12/81/188191281.db2.gz RPTQQJQUIQJPCU-AAEUAGOBSA-N 0 3 240.347 0.999 20 0 BCADHN CC(=O)Nc1cccc(CNC(=O)C2(N)CC2)c1 ZINC000236575836 188191324 /nfs/dbraw/zinc/19/13/24/188191324.db2.gz DYWIIQOMZFUHNR-UHFFFAOYSA-N 0 3 247.298 0.753 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000262633519 188192837 /nfs/dbraw/zinc/19/28/37/188192837.db2.gz NKVIPJYTECSACD-MRVPVSSYSA-N 0 3 238.291 0.426 20 0 BCADHN CCN(C)CCN[C@H]1CCn2ccnc21 ZINC000294181691 188213062 /nfs/dbraw/zinc/21/30/62/188213062.db2.gz RXRZOAMYCPZFCY-JTQLQIEISA-N 0 3 208.309 0.869 20 0 BCADHN CN(Cc1ncc[nH]1)C(=O)C(N)C(F)(F)F ZINC000639017591 353271618 /nfs/dbraw/zinc/27/16/18/353271618.db2.gz WZQRWTWFKMYHPM-LURJTMIESA-N 0 3 236.197 0.258 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000041679767 188216208 /nfs/dbraw/zinc/21/62/08/188216208.db2.gz AAVKZRDCMRIPJV-ZJUUUORDSA-N 0 3 228.336 0.996 20 0 BCADHN NCC(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000639018823 353274612 /nfs/dbraw/zinc/27/46/12/353274612.db2.gz XJGISCGOJSVWML-SECBINFHSA-N 0 3 214.215 0.911 20 0 BCADHN Cc1ncncc1C(=O)N(C)CCN(C)C1CC1 ZINC000274620125 188200666 /nfs/dbraw/zinc/20/06/66/188200666.db2.gz ZJZJPFSZTNLGFL-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H]1CCCn2nccc21 ZINC000639022319 353277671 /nfs/dbraw/zinc/27/76/71/353277671.db2.gz LOARSHLPDCWTQR-VHSXEESVSA-N 0 3 236.319 0.832 20 0 BCADHN C=Cn1cc(CN[C@]2(CCO)CCOC2)cn1 ZINC000278108170 188203846 /nfs/dbraw/zinc/20/38/46/188203846.db2.gz BBBWAUOHDUKONP-GFCCVEGCSA-N 0 3 237.303 0.615 20 0 BCADHN Cc1ccncc1CN(C)CCC(N)=O ZINC000286584179 188208742 /nfs/dbraw/zinc/20/87/42/188208742.db2.gz VJUJSNLTEGXZAJ-UHFFFAOYSA-N 0 3 207.277 0.697 20 0 BCADHN CCN(C)CCNc1ccc2nc(C)nn2n1 ZINC000288305814 188209911 /nfs/dbraw/zinc/20/99/11/188209911.db2.gz HGXURTZLWUQKHF-UHFFFAOYSA-N 0 3 234.307 0.796 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](O)C[C@H]1C ZINC000336565885 188231461 /nfs/dbraw/zinc/23/14/61/188231461.db2.gz IWRNTWWLBNBWSN-NXEZZACHSA-N 0 3 214.309 0.308 20 0 BCADHN CNCC(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000251729851 353287947 /nfs/dbraw/zinc/28/79/47/353287947.db2.gz KHHJQBVMLQHXFZ-MNOVXSKESA-N 0 3 225.336 0.291 20 0 BCADHN CN(C)CCCN(C)c1nccn(C)c1=O ZINC000537191701 324032020 /nfs/dbraw/zinc/03/20/20/324032020.db2.gz WDQIYRCQSZZMBV-UHFFFAOYSA-N 0 3 224.308 0.168 20 0 BCADHN CCCC[C@@H](N)C(=O)Nc1ccc(=O)n(C)c1 ZINC000037770342 358477572 /nfs/dbraw/zinc/47/75/72/358477572.db2.gz DFKGNKMVUOYETN-SNVBAGLBSA-N 0 3 237.303 0.841 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)[C@H]1CCOC1 ZINC000134157497 188222883 /nfs/dbraw/zinc/22/28/83/188222883.db2.gz HEKVGSHSEHZGGZ-UWVGGRQHSA-N 0 3 214.309 0.607 20 0 BCADHN CC(C)(C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C[C@@H]1O ZINC000331493271 188226004 /nfs/dbraw/zinc/22/60/04/188226004.db2.gz YPELOLMTZZVIDT-RCWTZXSCSA-N 0 3 240.347 0.589 20 0 BCADHN CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@@H]1N)C(N)=O ZINC000331736070 188226249 /nfs/dbraw/zinc/22/62/49/188226249.db2.gz BBDOXEFKMMPFEU-DSYKOEDSSA-N 0 3 213.281 0.400 20 0 BCADHN CC(C)(O)[C@@H]1CCCN1CC(=O)NCC1CC1 ZINC000331642130 188226466 /nfs/dbraw/zinc/22/64/66/188226466.db2.gz JLWPGNYQRJFRAA-NSHDSACASA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)N(C)CC(=O)NC(C)(C)C(C)(C)O ZINC000332490098 188227125 /nfs/dbraw/zinc/22/71/25/188227125.db2.gz FCKVHYNSLOEYFT-UHFFFAOYSA-N 0 3 230.352 0.992 20 0 BCADHN C[C@H](N[C@H]1C[C@@](C)(O)C1)c1cnn(C)c1 ZINC000331818426 188227366 /nfs/dbraw/zinc/22/73/66/188227366.db2.gz VVVLGMGLCCFEJS-INTQDDNPSA-N 0 3 209.293 0.984 20 0 BCADHN CC(C)NCC(=O)N1CCn2nccc21 ZINC000639035106 353308602 /nfs/dbraw/zinc/30/86/02/353308602.db2.gz TVHLJWQNJYXALZ-UHFFFAOYSA-N 0 3 208.265 0.228 20 0 BCADHN CC(C)(C)[C@H](NCCOCC(F)F)C(N)=O ZINC000189660161 353311559 /nfs/dbraw/zinc/31/15/59/353311559.db2.gz KATVQRQWROTCDS-MRVPVSSYSA-N 0 3 238.278 0.758 20 0 BCADHN Cc1n[nH]cc1CNC[C@H](O)Cn1cccn1 ZINC000577858860 366087306 /nfs/dbraw/zinc/08/73/06/366087306.db2.gz ADHMRSCCFVQRBY-NSHDSACASA-N 0 3 235.291 0.065 20 0 BCADHN CCCNC(=O)CN1CCC[C@H]1C[C@H](C)O ZINC000252696880 353303768 /nfs/dbraw/zinc/30/37/68/353303768.db2.gz DCORPANHYGRGPT-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)N2CCn3nccc32)C1 ZINC000639035578 353305268 /nfs/dbraw/zinc/30/52/68/353305268.db2.gz ZFGIUTRYOYHTBG-VHSXEESVSA-N 0 3 234.303 0.618 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N2CCn3nccc32)C1 ZINC000639035584 353305285 /nfs/dbraw/zinc/30/52/85/353305285.db2.gz ZFGIUTRYOYHTBG-ZJUUUORDSA-N 0 3 234.303 0.618 20 0 BCADHN CCCNC(=O)NC(=O)CN(CC)CC ZINC000060991992 324054110 /nfs/dbraw/zinc/05/41/10/324054110.db2.gz IVFBEZPNNVJUDH-UHFFFAOYSA-N 0 3 215.297 0.564 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252870567 353313253 /nfs/dbraw/zinc/31/32/53/353313253.db2.gz OENIJTNCJTZLFK-FIQHERPVSA-N 0 3 240.347 0.604 20 0 BCADHN C[C@@H]1CCN(C[C@H](O)C(F)(F)F)[C@@H]1CO ZINC000189713118 353317061 /nfs/dbraw/zinc/31/70/61/353317061.db2.gz USQDKWMOENRGGT-PRJMDXOYSA-N 0 3 227.226 0.612 20 0 BCADHN Cc1cnc(NCCOCCN(C)C)nc1 ZINC000226738237 491049148 /nfs/dbraw/zinc/04/91/48/491049148.db2.gz MKOSWLROINKKFK-UHFFFAOYSA-N 0 3 224.308 0.775 20 0 BCADHN CC[C@@H](C)[C@H](CNC1(C(N)=O)CC1)OC ZINC000639043413 353326807 /nfs/dbraw/zinc/32/68/07/353326807.db2.gz VVQRYCYBMIQJEM-BDAKNGLRSA-N 0 3 214.309 0.655 20 0 BCADHN CN(C(=O)c1cc[nH]n1)C1CCN(C)CC1 ZINC000056057454 353360629 /nfs/dbraw/zinc/36/06/29/353360629.db2.gz WYRPYTVOKWLZEG-UHFFFAOYSA-N 0 3 222.292 0.576 20 0 BCADHN C(C[C@H]1CCO1)CN1CCN2CCOC[C@@H]2C1 ZINC000639058152 353363778 /nfs/dbraw/zinc/36/37/78/353363778.db2.gz HUQAMDAZWPOEOU-STQMWFEESA-N 0 3 240.347 0.572 20 0 BCADHN C[C@@](O)(CO)CNCc1ccc(F)cc1 ZINC000085250870 538116159 /nfs/dbraw/zinc/11/61/59/538116159.db2.gz ZOJMTDRPKCHDJO-NSHDSACASA-N 0 3 213.252 0.659 20 0 BCADHN C[C@@H](N)C(=O)Nc1nc2ccccc2n1C ZINC000639074122 353393943 /nfs/dbraw/zinc/39/39/43/353393943.db2.gz WNOYLEMDIOMKKK-SSDOTTSWSA-N 0 3 218.260 0.859 20 0 BCADHN O=c1ccc(CN2CC[C@H](n3cncn3)C2)c[nH]1 ZINC000639061905 353370624 /nfs/dbraw/zinc/37/06/24/353370624.db2.gz SBDJBGXHULYGRJ-NSHDSACASA-N 0 3 245.286 0.826 20 0 BCADHN CO[C@@]1(CN2CCO[C@@H](C3CC3)C2)CCOC1 ZINC000639062287 353371627 /nfs/dbraw/zinc/37/16/27/353371627.db2.gz XBIMIVSBRWLIIR-CHWSQXEVSA-N 0 3 241.331 0.903 20 0 BCADHN CCC[C@@H](CN1CCN2CCOC[C@H]2C1)OC ZINC000639062855 353376595 /nfs/dbraw/zinc/37/65/95/353376595.db2.gz VFCQAVJEKIYZJS-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN CCC[C@H](CN1CCN2CCOC[C@H]2C1)OC ZINC000639062854 353376631 /nfs/dbraw/zinc/37/66/31/353376631.db2.gz VFCQAVJEKIYZJS-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@H](CNC(=O)C1(C(=O)C2CC2)CC1)N(C)C ZINC000412392504 191278494 /nfs/dbraw/zinc/27/84/94/191278494.db2.gz DSFSPGSPQYOPDQ-VIFPVBQESA-N 0 3 238.331 0.812 20 0 BCADHN CC[C@H](NC(=O)CNC1CC1)C(F)F ZINC000639078180 353403056 /nfs/dbraw/zinc/40/30/56/353403056.db2.gz XSCCVUIHMHOBAJ-ZETCQYMHSA-N 0 3 206.236 0.898 20 0 BCADHN CC[C@H](NC(=O)[C@@H]1OCC[C@@H]1N)C(F)F ZINC000639078085 353403083 /nfs/dbraw/zinc/40/30/83/353403083.db2.gz VOMLSHXQPHIGGI-LYFYHCNISA-N 0 3 222.235 0.263 20 0 BCADHN COC(=O)[C@H]1CC[C@@H]1C(=O)NC[C@H](C)N(C)C ZINC000412392894 191278732 /nfs/dbraw/zinc/27/87/32/191278732.db2.gz GBKVRVYLSLRAHH-GUBZILKMSA-N 0 3 242.319 0.252 20 0 BCADHN CCOC[C@@H](O)CN1CCC[C@@H](OC)C1 ZINC000226656739 363221076 /nfs/dbraw/zinc/22/10/76/363221076.db2.gz XFMLYSUFQFRJHO-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N2CCO[C@H](C)C2)C1 ZINC000167372519 133969204 /nfs/dbraw/zinc/96/92/04/133969204.db2.gz BEEATRBGTDDNRB-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1O[C@H](C)C[C@H]1C)N(C)C ZINC000412394189 191279913 /nfs/dbraw/zinc/27/99/13/191279913.db2.gz MKCPQDWPXORXCA-LMLFDSFASA-N 0 3 228.336 0.866 20 0 BCADHN CCC[C@@H](CN1CCN(CCO)[C@@H](C)C1)OC ZINC000639092047 353454365 /nfs/dbraw/zinc/45/43/65/353454365.db2.gz NANVZVAHKCCKQY-STQMWFEESA-N 0 3 244.379 0.800 20 0 BCADHN CCC[C@@H](CN1CCN(CCO)[C@H](C)C1)OC ZINC000639092045 353454561 /nfs/dbraw/zinc/45/45/61/353454561.db2.gz NANVZVAHKCCKQY-OLZOCXBDSA-N 0 3 244.379 0.800 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC[C@@](C)(OC)C1 ZINC000230273358 353483633 /nfs/dbraw/zinc/48/36/33/353483633.db2.gz BNTFGSSZTGZXOI-VXGBXAGGSA-N 0 3 245.319 0.411 20 0 BCADHN CC(C)(NC(=O)[C@@H]1C[C@@H]1N)c1nccs1 ZINC000335283584 535234874 /nfs/dbraw/zinc/23/48/74/535234874.db2.gz OMPBAQBMMTXVTB-RQJHMYQMSA-N 0 3 225.317 0.842 20 0 BCADHN CC(C)OC(=O)CCN[C@@H]1C(=O)NCC[C@H]1C ZINC000193595653 353602942 /nfs/dbraw/zinc/60/29/42/353602942.db2.gz ZDXGYOMHKYLFJT-KOLCDFICSA-N 0 3 242.319 0.442 20 0 BCADHN CNCC(=O)NCc1ccn(C2CCCC2)n1 ZINC000193134831 353575915 /nfs/dbraw/zinc/57/59/15/353575915.db2.gz WGYUKAKFIWUHIA-UHFFFAOYSA-N 0 3 236.319 0.834 20 0 BCADHN CNC(=O)NC(=O)CN(CC1CCC1)C(C)C ZINC000193204599 353577338 /nfs/dbraw/zinc/57/73/38/353577338.db2.gz FSAZRNSVCOSCDU-UHFFFAOYSA-N 0 3 241.335 0.953 20 0 BCADHN CO[C@@H]1CN(C[C@]2(OC)CCOC2)C[C@@H]1OC ZINC000639104116 353585691 /nfs/dbraw/zinc/58/56/91/353585691.db2.gz YFYTWRFTBPKMRW-GRYCIOLGSA-N 0 3 245.319 0.138 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](O)C1 ZINC000412408660 191283367 /nfs/dbraw/zinc/28/33/67/191283367.db2.gz LKALSNSUEDNUTA-OUAUKWLOSA-N 0 3 226.320 0.500 20 0 BCADHN C[C@@H](N[C@H](C)[C@H]1CCCCO1)C(N)=O ZINC000639107757 353639826 /nfs/dbraw/zinc/63/98/26/353639826.db2.gz CTZAHAQGNGAWKR-IWSPIJDZSA-N 0 3 200.282 0.407 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1CC[C@@H](OC)C1 ZINC000231689640 353644937 /nfs/dbraw/zinc/64/49/37/353644937.db2.gz OWEFFYOXKJRZFS-GARJFASQSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)c2cn[nH]c2)C1 ZINC000194052839 353616357 /nfs/dbraw/zinc/61/63/57/353616357.db2.gz YLMVFOIJSVXBPU-SNVBAGLBSA-N 0 3 236.319 0.871 20 0 BCADHN OC[C@H]1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343312931 353618859 /nfs/dbraw/zinc/61/88/59/353618859.db2.gz FIJBCSXVNHKGTG-RWMBFGLXSA-N 0 3 240.347 0.164 20 0 BCADHN CCN1CCC[C@@H](NC(=O)NCCCOC)C1 ZINC000194127373 353620768 /nfs/dbraw/zinc/62/07/68/353620768.db2.gz RAFGAXHZCKBGGN-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN CNC(=O)C[C@@H](C)N[C@H](C)c1cncnc1C ZINC000577886215 366097349 /nfs/dbraw/zinc/09/73/49/366097349.db2.gz DLKNABVNUXZUHN-PSASIEDQSA-N 0 3 236.319 0.960 20 0 BCADHN C[C@@H](CO)CNC(=O)C1CCN(C2CC2)CC1 ZINC000194758742 353694295 /nfs/dbraw/zinc/69/42/95/353694295.db2.gz GQSKYTSYGYJSSR-SNVBAGLBSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H](N)C(=O)NCCCN1CCCCCC1=O ZINC000195134462 353725860 /nfs/dbraw/zinc/72/58/60/353725860.db2.gz OYRUBLIUUQYMDL-JTQLQIEISA-N 0 3 241.335 0.243 20 0 BCADHN CCN(CC)CC(=O)N1CCCO[C@H](CF)C1 ZINC000412444136 191285711 /nfs/dbraw/zinc/28/57/11/191285711.db2.gz FVISUVSUKWPYOD-LLVKDONJSA-N 0 3 246.326 0.915 20 0 BCADHN C[C@H](N)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000195177143 353730377 /nfs/dbraw/zinc/73/03/77/353730377.db2.gz VTSVXOYJYLPBED-NSHDSACASA-N 0 3 241.379 0.914 20 0 BCADHN Cc1cc(=O)c(C(=O)NC2CC(N(C)C)C2)c[nH]1 ZINC000622009315 370661222 /nfs/dbraw/zinc/66/12/22/370661222.db2.gz RBABOKLJAMTLDH-UHFFFAOYSA-N 0 3 249.314 0.506 20 0 BCADHN CC[C@H](C(=O)N1CCCO[C@H](CF)C1)N(C)C ZINC000412455000 191286836 /nfs/dbraw/zinc/28/68/36/191286836.db2.gz VKBCQJDXWBWBPE-GHMZBOCLSA-N 0 3 246.326 0.914 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000154020698 191287328 /nfs/dbraw/zinc/28/73/28/191287328.db2.gz XEPXWDWYHNHZFK-MMWGEVLESA-N 0 3 227.352 0.569 20 0 BCADHN CCCC(=O)NC[C@@](C)(O)CN(C)C ZINC000228750385 363264697 /nfs/dbraw/zinc/26/46/97/363264697.db2.gz JCMGKORYSFUSPU-SNVBAGLBSA-N 0 3 202.298 0.215 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)c1nnc(C)[nH]1 ZINC000343339460 353797313 /nfs/dbraw/zinc/79/73/13/353797313.db2.gz DKHRRMPSZNKZFD-MRVPVSSYSA-N 0 3 239.323 0.632 20 0 BCADHN Cn1nncc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000366824103 353805611 /nfs/dbraw/zinc/80/56/11/353805611.db2.gz NHFSYUXDJFWDRB-QJPTWQEYSA-N 0 3 248.330 0.862 20 0 BCADHN O=C(NC[C@H]1CNCCO1)N(C1CC1)C1CC1 ZINC000627102551 363261831 /nfs/dbraw/zinc/26/18/31/363261831.db2.gz OIWABQDTFVUZNI-LLVKDONJSA-N 0 3 239.319 0.311 20 0 BCADHN COC[C@H](CO)NC[C@H](OC)C1CCCC1 ZINC000639125457 353817622 /nfs/dbraw/zinc/81/76/22/353817622.db2.gz VSMSNGDMPSUDAY-RYUDHWBXSA-N 0 3 231.336 0.789 20 0 BCADHN COC[C@H](CO)NC[C@@H](OC)C1CCCC1 ZINC000639125456 353817904 /nfs/dbraw/zinc/81/79/04/353817904.db2.gz VSMSNGDMPSUDAY-NWDGAFQWSA-N 0 3 231.336 0.789 20 0 BCADHN C[C@@H]1CC[C@@H](CNCc2cnc(N)nc2N)C1 ZINC000639127251 353839121 /nfs/dbraw/zinc/83/91/21/353839121.db2.gz NOGSKGFSZZVPJF-RKDXNWHRSA-N 0 3 235.335 0.828 20 0 BCADHN C[C@H]1C[C@H](CNC(=O)CNC2CC2)CCO1 ZINC000388842835 353792837 /nfs/dbraw/zinc/79/28/37/353792837.db2.gz HQXFXROQKZUYAS-VHSXEESVSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343359672 353872531 /nfs/dbraw/zinc/87/25/31/353872531.db2.gz GFERBPLRMWSAHP-RYUDHWBXSA-N 0 3 237.347 0.245 20 0 BCADHN COC[C@H](C)N[C@H]1CCO[C@H]1c1nccn1C ZINC000343395256 353876911 /nfs/dbraw/zinc/87/69/11/353876911.db2.gz HHQVSWQDNULXPO-GARJFASQSA-N 0 3 239.319 0.875 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NCCCSC ZINC000343458828 353896148 /nfs/dbraw/zinc/89/61/48/353896148.db2.gz RTIAHJMHHMKWTO-MRVPVSSYSA-N 0 3 248.348 0.136 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@H]2CCCO2)CCCN1C ZINC000343429178 353882851 /nfs/dbraw/zinc/88/28/51/353882851.db2.gz HTOFORYLIQCLMB-GMTAPVOTSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@H]2COCCO2)CCCN1C ZINC000343432352 353884572 /nfs/dbraw/zinc/88/45/72/353884572.db2.gz IVZWEVJOKINILJ-MXWKQRLJSA-N 0 3 242.319 0.001 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NC1CC(C)C1 ZINC000343433949 353885176 /nfs/dbraw/zinc/88/51/76/353885176.db2.gz WJLZYNPLDAUDEN-AMDVSUOASA-N 0 3 228.292 0.182 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1C ZINC000343445440 353889888 /nfs/dbraw/zinc/88/98/88/353889888.db2.gz NPVCAOIOVODQQC-ZJUUUORDSA-N 0 3 236.319 0.633 20 0 BCADHN C[C@H]1[C@H](NC(=O)C2(C)COC2)CCCN1C ZINC000343445542 353890910 /nfs/dbraw/zinc/89/09/10/353890910.db2.gz NXEUHFZCECEIMK-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN COC(=O)CCC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343448599 353892379 /nfs/dbraw/zinc/89/23/79/353892379.db2.gz BYZDOUXGBBAGOD-UWVGGRQHSA-N 0 3 242.319 0.539 20 0 BCADHN COCC[C@@H](CO)NCc1cccc(F)c1N ZINC000639134712 353844032 /nfs/dbraw/zinc/84/40/32/353844032.db2.gz DCMHZBUPKVPNHF-JTQLQIEISA-N 0 3 242.294 0.895 20 0 BCADHN CC[C@@H](C)[C@@H](CN(C)CCOCCO)OC ZINC000639140069 353848954 /nfs/dbraw/zinc/84/89/54/353848954.db2.gz SPZHQTJNBDMJLO-VXGBXAGGSA-N 0 3 233.352 0.988 20 0 BCADHN CC[C@H](C)[C@@H](CN(C)CCOCCO)OC ZINC000639140067 353849020 /nfs/dbraw/zinc/84/90/20/353849020.db2.gz SPZHQTJNBDMJLO-NWDGAFQWSA-N 0 3 233.352 0.988 20 0 BCADHN CC[C@@](C)(CN1C[C@@H]2COC[C@H](C1)O2)OC ZINC000639143175 353850393 /nfs/dbraw/zinc/85/03/93/353850393.db2.gz OPOZKIYVLJLOPE-TUAOUCFPSA-N 0 3 229.320 0.901 20 0 BCADHN CCN(CC)CC(=O)N(C)CCN1CCCC1 ZINC000343486133 353906784 /nfs/dbraw/zinc/90/67/84/353906784.db2.gz GJVXDAVLZXHMLE-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CCCN1CCC[C@@H]1CNC(=O)C(C)(C)O ZINC000343632044 353948613 /nfs/dbraw/zinc/94/86/13/353948613.db2.gz CJNZRUYPYZEFAU-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@H](OC)C(=O)N(C)CCN1CCCC1 ZINC000343493727 353910813 /nfs/dbraw/zinc/91/08/13/353910813.db2.gz ODIYFTDWJVYZGC-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H]1[C@H](NC(=O)Cc2ccon2)CCCN1C ZINC000343508203 353922787 /nfs/dbraw/zinc/92/27/87/353922787.db2.gz OBKTUBBANBOHKP-MWLCHTKSSA-N 0 3 237.303 0.816 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343510255 353924016 /nfs/dbraw/zinc/92/40/16/353924016.db2.gz PBMHCICBFDUEEL-YWVKMMECSA-N 0 3 241.335 0.110 20 0 BCADHN CCCN(C)CC(=O)NCc1ccno1 ZINC000351919706 535249804 /nfs/dbraw/zinc/24/98/04/535249804.db2.gz SJFSQECZLGPESW-UHFFFAOYSA-N 0 3 211.265 0.633 20 0 BCADHN CCCN1CCC[C@H]1CNC(=O)C1CC(=O)C1 ZINC000343566604 353936069 /nfs/dbraw/zinc/93/60/69/353936069.db2.gz ILUKLBSUUYBBED-NSHDSACASA-N 0 3 238.331 0.956 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N[C@H](C)CSC ZINC000343475680 353901636 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C[C@@H]1[C@@H](NC(=O)c2cnc[nH]2)CCCN1C ZINC000345010066 354392945 /nfs/dbraw/zinc/39/29/45/354392945.db2.gz MHZGGAMIQMUTPS-BDAKNGLRSA-N 0 3 222.292 0.622 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cnc[nH]2)CCCN1C ZINC000345010069 354393114 /nfs/dbraw/zinc/39/31/14/354393114.db2.gz MHZGGAMIQMUTPS-RKDXNWHRSA-N 0 3 222.292 0.622 20 0 BCADHN c1cn(CCN2CCC[C@@H](n3ccnn3)C2)cn1 ZINC000578008230 366175350 /nfs/dbraw/zinc/17/53/50/366175350.db2.gz PZZLKESOLQOZLW-GFCCVEGCSA-N 0 3 246.318 0.812 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1C ZINC000345012228 354393833 /nfs/dbraw/zinc/39/38/33/354393833.db2.gz PGMKWZGJPPAKPF-MWLCHTKSSA-N 0 3 236.319 0.633 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1ncnn1CC ZINC000578010901 366177061 /nfs/dbraw/zinc/17/70/61/366177061.db2.gz FGCZTQHJXNRCGA-WPRPVWTQSA-N 0 3 239.323 0.288 20 0 BCADHN CC[C@@H](C(=O)N1CC2(C1)CCCOC2)N(C)C ZINC000334624083 354362848 /nfs/dbraw/zinc/36/28/48/354362848.db2.gz YXVRTROUKADXML-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN 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C[C@@]1(F)CNCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000334663873 354464146 /nfs/dbraw/zinc/46/41/46/354464146.db2.gz YLKHATNZXGQCCE-CMPLNLGQSA-N 0 3 243.326 0.274 20 0 BCADHN Cc1nn(C)cc1CN1C[C@H](O)C[C@H](C)C1 ZINC000334747568 354472574 /nfs/dbraw/zinc/47/25/74/354472574.db2.gz UECBQKICLNBETB-JOYOIKCWSA-N 0 3 223.320 0.931 20 0 BCADHN CCCn1c(CO)nnc1SCCN(C)C ZINC000179101010 366204978 /nfs/dbraw/zinc/20/49/78/366204978.db2.gz OCXDYJQAHHLBCV-UHFFFAOYSA-N 0 3 244.364 0.834 20 0 BCADHN O=C1NCCC[C@H]1N1CCC(CF)CC1 ZINC000334692840 354483309 /nfs/dbraw/zinc/48/33/09/354483309.db2.gz FVVZDHVFGGBQND-SNVBAGLBSA-N 0 3 214.284 0.947 20 0 BCADHN O=C(CO)N1CCC[C@H]1CN1CCCC1 ZINC000334727553 354528062 /nfs/dbraw/zinc/52/80/62/354528062.db2.gz XVDSKPLBHIWNHH-JTQLQIEISA-N 0 3 212.293 0.066 20 0 BCADHN CCCN(C)CC(=O)NCCN1CCCC1=O ZINC000578077812 366225714 /nfs/dbraw/zinc/22/57/14/366225714.db2.gz LKJJFHGTLKKEJO-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N1CCCN(C)CC1 ZINC000334737402 354539039 /nfs/dbraw/zinc/53/90/39/354539039.db2.gz RMWVGVNUTGRPPH-NSHDSACASA-N 0 3 241.379 0.927 20 0 BCADHN CC[C@H](C(=O)N1CCOC[C@@H]1C)N(C)C ZINC000334743512 354546889 /nfs/dbraw/zinc/54/68/89/354546889.db2.gz XUZKYYBKYYYWEE-VHSXEESVSA-N 0 3 214.309 0.574 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1CCN1CCCC1=O ZINC000334814389 354572212 /nfs/dbraw/zinc/57/22/12/354572212.db2.gz TZAOEDCQJJGDBX-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN CC(=O)C1(C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000334814682 354572391 /nfs/dbraw/zinc/57/23/91/354572391.db2.gz SYPAOZXJSOFJDM-NSHDSACASA-N 0 3 238.331 0.908 20 0 BCADHN CC(C)N1CC[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC000334752923 354574439 /nfs/dbraw/zinc/57/44/39/354574439.db2.gz QEQDUQSMNWOPGS-LLVKDONJSA-N 0 3 236.319 0.964 20 0 BCADHN CCN1CCCN([C@H](C)C(=O)N(C)C)CC1 ZINC000335897517 358488414 /nfs/dbraw/zinc/48/84/14/358488414.db2.gz JSSFNHWDSLKSPG-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN CC(C)CN(CCN(C)C)C(=O)CO ZINC000345458830 354660318 /nfs/dbraw/zinc/66/03/18/354660318.db2.gz YIVUUPKXLSFQKA-UHFFFAOYSA-N 0 3 202.298 0.025 20 0 BCADHN CN(C)CCOc1cnccc1CNC(N)=O ZINC000345273533 354612174 /nfs/dbraw/zinc/61/21/74/354612174.db2.gz DSALDAQXJJKLGP-UHFFFAOYSA-N 0 3 238.291 0.190 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@H]2OCC[C@H]2C1 ZINC000366910518 354731793 /nfs/dbraw/zinc/73/17/93/354731793.db2.gz SYFCEPLLHUUWQD-LPEHRKFASA-N 0 3 212.293 0.361 20 0 BCADHN COC(=O)CCCN1C[C@H](C)N(C)C[C@@H]1C ZINC000351944926 134015501 /nfs/dbraw/zinc/01/55/01/134015501.db2.gz NRGUOEJCKNQZME-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CC(=O)CCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000335112027 354698919 /nfs/dbraw/zinc/69/89/19/354698919.db2.gz CROHBPILCIEFBY-NWDGAFQWSA-N 0 3 238.331 0.908 20 0 BCADHN CC(C)(C)N1CC[C@H](N2CC[C@@](C)(O)C2)C1=O ZINC000335116467 354706613 /nfs/dbraw/zinc/70/66/13/354706613.db2.gz YCKKQPCLHSDYHH-GXFFZTMASA-N 0 3 240.347 0.843 20 0 BCADHN COC(=O)CCCNC(=O)Cc1nc[nH]c1C ZINC000345635362 354720097 /nfs/dbraw/zinc/72/00/97/354720097.db2.gz DVRAIWCXXCECJS-UHFFFAOYSA-N 0 3 239.275 0.330 20 0 BCADHN C[C@H](CCO)NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345691785 354733874 /nfs/dbraw/zinc/73/38/74/354733874.db2.gz KEMPZUIPJUJBBL-OUAUKWLOSA-N 0 3 243.351 0.539 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000345443817 354669955 /nfs/dbraw/zinc/66/99/55/354669955.db2.gz CEFIHYJHKYOOCM-TUAOUCFPSA-N 0 3 240.347 0.558 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)[C@H](N)CC(F)F ZINC000345732943 354747570 /nfs/dbraw/zinc/74/75/70/354747570.db2.gz NKEFALALEGMEGK-SFYZADRCSA-N 0 3 238.278 0.492 20 0 BCADHN CC[C@@H](C(=O)NCC[C@@H]1CCOC1)N(C)C ZINC000345709110 354755658 /nfs/dbraw/zinc/75/56/58/354755658.db2.gz GXFFNZCJAYRUPZ-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)NC(=O)CN[C@@]1(C)CCO[C@@H]1C ZINC000232631524 363376547 /nfs/dbraw/zinc/37/65/47/363376547.db2.gz KEQHXOMEWWJIHW-KOLCDFICSA-N 0 3 214.309 0.668 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC000412756755 191311360 /nfs/dbraw/zinc/31/13/60/191311360.db2.gz KZHPOGHEECCVLL-AOOOYVTPSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@H](O)C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000345791477 354768640 /nfs/dbraw/zinc/76/86/40/354768640.db2.gz QWHHRQFLFFSJPV-CYZMBNFOSA-N 0 3 248.326 0.581 20 0 BCADHN CO[C@@H](C)CN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000366915634 354778948 /nfs/dbraw/zinc/77/89/48/354778948.db2.gz VDOCXCIYIJGIHZ-IVZWLZJFSA-N 0 3 212.293 0.232 20 0 BCADHN CCCCN(C)CCNC(=O)CC(=O)N(C)C ZINC000345715194 354741722 /nfs/dbraw/zinc/74/17/22/354741722.db2.gz HPVDKYRHXARIME-UHFFFAOYSA-N 0 3 243.351 0.313 20 0 BCADHN C[C@@H](O)CN(CCO)CCN1CCC(C)CC1 ZINC000351948980 134016160 /nfs/dbraw/zinc/01/61/60/134016160.db2.gz KFTZIUWVUXEMMX-CYBMUJFWSA-N 0 3 244.379 0.393 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000232698621 363380088 /nfs/dbraw/zinc/38/00/88/363380088.db2.gz DUBDJVDLSVLWHY-OPRDCNLKSA-N 0 3 214.309 0.653 20 0 BCADHN CN(C)CCOCCNC(=O)CCC1CC1 ZINC000345924081 354808230 /nfs/dbraw/zinc/80/82/30/354808230.db2.gz AYYDPVMULKTSFC-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CCc1nc(CN[C@@H](C)Cc2cnccn2)n[nH]1 ZINC000639215491 354820812 /nfs/dbraw/zinc/82/08/12/354820812.db2.gz CKCCEJGGPCUOSJ-VIFPVBQESA-N 0 3 246.318 0.878 20 0 BCADHN CC[C@@H](C(=O)NCC(=O)N(C)C)N(CC)CC ZINC000345962366 354821346 /nfs/dbraw/zinc/82/13/46/354821346.db2.gz PVZSMSDODXDTTJ-JTQLQIEISA-N 0 3 243.351 0.311 20 0 BCADHN CC[C@@H](CO)N(C)CC1CCS(=O)(=O)CC1 ZINC000345877786 354794450 /nfs/dbraw/zinc/79/44/50/354794450.db2.gz CTIOTWCUQFTCNI-NSHDSACASA-N 0 3 249.376 0.514 20 0 BCADHN CN(C)C(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000234209974 363417419 /nfs/dbraw/zinc/41/74/19/363417419.db2.gz RNSRMZHPGGMJAV-MWLCHTKSSA-N 0 3 212.293 0.232 20 0 BCADHN CC(=O)CCC(=O)NCCOCCN(C)C ZINC000234260047 363418826 /nfs/dbraw/zinc/41/88/26/363418826.db2.gz GRWZBIJZSMZOMX-UHFFFAOYSA-N 0 3 230.308 0.050 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000040452357 358491558 /nfs/dbraw/zinc/49/15/58/358491558.db2.gz JMSDQNTXRKQRMQ-LLVKDONJSA-N 0 3 249.314 0.589 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000040452356 358491645 /nfs/dbraw/zinc/49/16/45/358491645.db2.gz JMSDQNTXRKQRMQ-NSHDSACASA-N 0 3 249.314 0.589 20 0 BCADHN CCOC[C@H](NC(=O)C1(N)CC1)C(C)C ZINC000233745888 363407641 /nfs/dbraw/zinc/40/76/41/363407641.db2.gz YMXWSKSNANVAQQ-VIFPVBQESA-N 0 3 214.309 0.655 20 0 BCADHN CCS[C@@H]1CCC[C@H]1NCC(=O)NC ZINC000233838422 363408889 /nfs/dbraw/zinc/40/88/89/363408889.db2.gz YZFALDWAEAWQEP-RKDXNWHRSA-N 0 3 216.350 0.996 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@](C)(O)C1CC1 ZINC000346262633 354883778 /nfs/dbraw/zinc/88/37/78/354883778.db2.gz MKESPONGWAFHHQ-KCJUWKMLSA-N 0 3 214.309 0.214 20 0 BCADHN C=Cn1cc(CN[C@H](C)CC(N)=O)cn1 ZINC000235406474 363444065 /nfs/dbraw/zinc/44/40/65/363444065.db2.gz XRCUONGQXXOKSP-MRVPVSSYSA-N 0 3 208.265 0.337 20 0 BCADHN C[C@H](NCCOCCO)c1ccnn1C ZINC000235521125 363446035 /nfs/dbraw/zinc/44/60/35/363446035.db2.gz SYKWIONDRJBGIG-VIFPVBQESA-N 0 3 213.281 0.080 20 0 BCADHN CN(C(=O)[C@H]1CC[C@@H](O)C1)[C@H]1CCCN(C)C1 ZINC000346373253 354902950 /nfs/dbraw/zinc/90/29/50/354902950.db2.gz NTYWLMZWSBQTGZ-SDDRHHMPSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)C1CCN(C)CC1 ZINC000346377967 354904605 /nfs/dbraw/zinc/90/46/05/354904605.db2.gz RIJQPQDCMJIYBH-LBPRGKRZSA-N 0 3 242.363 0.851 20 0 BCADHN OCCCCCN1C[C@@H](F)C[C@H]1CO ZINC000346385696 354906650 /nfs/dbraw/zinc/90/66/50/354906650.db2.gz XCQOAIZRWWSEEL-UWVGGRQHSA-N 0 3 205.273 0.554 20 0 BCADHN CCN1CCN(C(=O)[C@H]2CCCN2C)[C@@H](C)C1 ZINC000335953735 134022306 /nfs/dbraw/zinc/02/23/06/134022306.db2.gz HHBHLTSUKMZUQN-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)C2(N)CCC2)C1 ZINC000234810985 363431619 /nfs/dbraw/zinc/43/16/19/363431619.db2.gz ABBPMSUMKIHUSU-RKDXNWHRSA-N 0 3 212.293 0.552 20 0 BCADHN C[C@H](N)C(=O)NCc1ccccc1-n1cccn1 ZINC000040495747 358492025 /nfs/dbraw/zinc/49/20/25/358492025.db2.gz CBVCIGRQWSGZIN-JTQLQIEISA-N 0 3 244.298 0.836 20 0 BCADHN CC(C)[C@H](C(=O)N1C[C@H](O)C[C@H](C)C1)N(C)C ZINC000412774374 191314022 /nfs/dbraw/zinc/31/40/22/191314022.db2.gz SHAHJQZOEKPPOZ-QJPTWQEYSA-N 0 3 242.363 0.802 20 0 BCADHN COC(C)(C)CCN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000346431663 354931337 /nfs/dbraw/zinc/93/13/37/354931337.db2.gz IYWSHSWPFDKTPO-NXEZZACHSA-N 0 3 244.335 0.376 20 0 BCADHN O[C@H]1COCCN(CC2CCSCC2)C1 ZINC000639223275 354933290 /nfs/dbraw/zinc/93/32/90/354933290.db2.gz QQNVPQGIKKQCBN-LLVKDONJSA-N 0 3 231.361 0.823 20 0 BCADHN C[C@H]1NC(=O)N(CCN2CCCCC2)C1=O ZINC000335958192 134023941 /nfs/dbraw/zinc/02/39/41/134023941.db2.gz NUZHFBIXJVYAPD-SECBINFHSA-N 0 3 225.292 0.413 20 0 BCADHN CCC[C@@H](CN1CCOC[C@H](O)C1)OC ZINC000639222831 354949877 /nfs/dbraw/zinc/94/98/77/354949877.db2.gz MKQUTNRNHOJBQZ-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN C[C@@H]1CN(CCOCC(F)F)CC[C@@H]1O ZINC000346587603 355002132 /nfs/dbraw/zinc/00/21/32/355002132.db2.gz ZZWCCFPQMVRHDZ-BDAKNGLRSA-N 0 3 223.263 0.971 20 0 BCADHN C[C@@H](NCc1ccc(C(N)=O)nc1)[C@H]1CCCO1 ZINC000346567940 354971413 /nfs/dbraw/zinc/97/14/13/354971413.db2.gz VYFDJWKEXRLWJG-BXKDBHETSA-N 0 3 249.314 0.838 20 0 BCADHN CO[C@@H](C)[C@@H](C)N[C@H]1CCCNC1=O ZINC000639224842 354972044 /nfs/dbraw/zinc/97/20/44/354972044.db2.gz QXKZUAZOGXVHDP-VGMNWLOBSA-N 0 3 200.282 0.278 20 0 BCADHN COc1ncccc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000379441752 358492977 /nfs/dbraw/zinc/49/29/77/358492977.db2.gz SLERWKHDUDTJMM-VHSXEESVSA-N 0 3 249.314 0.913 20 0 BCADHN CNC(=O)N[C@@H]1CCN(CCC(C)(C)OC)C1 ZINC000346573361 354973110 /nfs/dbraw/zinc/97/31/10/354973110.db2.gz QXQVHQRNLJNSFX-SNVBAGLBSA-N 0 3 243.351 0.805 20 0 BCADHN COC(C)(C)CCN1CCN2CCOC[C@H]2C1 ZINC000346595610 354987724 /nfs/dbraw/zinc/98/77/24/354987724.db2.gz DARUXSZAAJETRQ-GFCCVEGCSA-N 0 3 242.363 0.818 20 0 BCADHN CCNS(=O)(=O)NCCN1CCCC[C@H]1C ZINC000346622522 354995846 /nfs/dbraw/zinc/99/58/46/354995846.db2.gz MOGLSEXUMOQCSF-SNVBAGLBSA-N 0 3 249.380 0.305 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000335202476 355036929 /nfs/dbraw/zinc/03/69/29/355036929.db2.gz CDUYJOLSLDYGJI-NEPJUHHUSA-N 0 3 241.379 0.878 20 0 BCADHN CN1CC[C@H](N2CC[C@@](O)(C3CC3)C2)C1=O ZINC000335209384 355046177 /nfs/dbraw/zinc/04/61/77/355046177.db2.gz FGQQMUVJEJULEJ-JQWIXIFHSA-N 0 3 224.304 0.064 20 0 BCADHN COCCOCCN1CC[C@H](C(=O)OC)[C@H]1C ZINC000346668586 355007651 /nfs/dbraw/zinc/00/76/51/355007651.db2.gz UNDSIWGOSFZGTN-MNOVXSKESA-N 0 3 245.319 0.533 20 0 BCADHN CCNC(=O)NC(=O)CN1CC(C)(C)C[C@@H]1C ZINC000335189160 355020107 /nfs/dbraw/zinc/02/01/07/355020107.db2.gz KZOAWHOPSHUYFD-VIFPVBQESA-N 0 3 241.335 0.953 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc3cncn3c2)CCN1 ZINC000335190815 355023857 /nfs/dbraw/zinc/02/38/57/355023857.db2.gz DKTZVQYOJPFBJY-SNVBAGLBSA-N 0 3 244.298 0.768 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)C1(O)CCCC1 ZINC000335230370 355073249 /nfs/dbraw/zinc/07/32/49/355073249.db2.gz HTHLQPMSUDCNBL-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN CCOCCCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000346690981 355075421 /nfs/dbraw/zinc/07/54/21/355075421.db2.gz VGWHDRNHBGOSRI-SDDRHHMPSA-N 0 3 240.347 0.999 20 0 BCADHN Cc1ccc(NC(=O)C(=O)N(C)C2CNC2)cc1 ZINC000335184200 355082615 /nfs/dbraw/zinc/08/26/15/355082615.db2.gz NHODTIQJPKTQHD-UHFFFAOYSA-N 0 3 247.298 0.364 20 0 BCADHN CC[C@@H]1CN([C@H](C)C(=O)N(C)C)CCCO1 ZINC000335219196 355058563 /nfs/dbraw/zinc/05/85/63/355058563.db2.gz JEALEUOHGJQUAZ-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN [NH3+][C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000335219168 355058681 /nfs/dbraw/zinc/05/86/81/355058681.db2.gz GBWNWRWHQPYOCE-ZKCHVHJHSA-N 0 3 244.291 0.594 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)[C@H]1CCCN1C ZINC000335220974 355061066 /nfs/dbraw/zinc/06/10/66/355061066.db2.gz YGOSXLROQKTOOX-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](O)C12CCCC2 ZINC000335223655 355064886 /nfs/dbraw/zinc/06/48/86/355064886.db2.gz LAHPOWXCUGKTFJ-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CNC(=O)N[C@@H]1CCN(CC[C@H](C)F)C1 ZINC000351992065 134031528 /nfs/dbraw/zinc/03/15/28/134031528.db2.gz AVEWZIIBDXEWCT-DTWKUNHWSA-N 0 3 217.288 0.738 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](O)C[C@@H]1C ZINC000346721126 355104146 /nfs/dbraw/zinc/10/41/46/355104146.db2.gz AUZNAPDZFTWRHV-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H]1C[C@@H](O)CCN1C(=O)[C@@H]1CCCN1C ZINC000346724597 355105041 /nfs/dbraw/zinc/10/50/41/355105041.db2.gz PKCCRZOLCBBBFS-VWYCJHECSA-N 0 3 226.320 0.452 20 0 BCADHN CCN1CC[C@H](NC(=O)C[C@@H](C)C(=O)OC)C1 ZINC000412836501 191318427 /nfs/dbraw/zinc/31/84/27/191318427.db2.gz IUIFUVQXXHTFSQ-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC000412835636 191319247 /nfs/dbraw/zinc/31/92/47/191319247.db2.gz HVWUDXRQXDGJTE-MNOVXSKESA-N 0 3 236.319 0.655 20 0 BCADHN CC[C@H](C(=O)N1CC(CO)C1)N(CC)CC ZINC000346771983 355113333 /nfs/dbraw/zinc/11/33/33/355113333.db2.gz XCWWQQQTYBBBDR-LLVKDONJSA-N 0 3 228.336 0.558 20 0 BCADHN CCN1CC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000412850141 191320680 /nfs/dbraw/zinc/32/06/80/191320680.db2.gz UNCXWZRIOVWTJF-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CO[C@]1(CN2CC[C@@H](F)C2)CCOC1 ZINC000639228318 355090891 /nfs/dbraw/zinc/09/08/91/355090891.db2.gz OCSITDVEQXDMFK-ZJUUUORDSA-N 0 3 203.257 0.836 20 0 BCADHN CC[C@H](C)CN(CC)C(=O)CN1CCNCC1 ZINC000093254868 491073398 /nfs/dbraw/zinc/07/33/98/491073398.db2.gz AQJZADDVDCPZCO-LBPRGKRZSA-N 0 3 241.379 0.786 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@H](C2CCOCC2)C1 ZINC000335231592 355092589 /nfs/dbraw/zinc/09/25/89/355092589.db2.gz SXENNAIGYYSCQL-RYUDHWBXSA-N 0 3 238.331 0.623 20 0 BCADHN CCN1CC[C@@H](NC(=O)Cn2ccc(C)n2)C1 ZINC000412878391 191325804 /nfs/dbraw/zinc/32/58/04/191325804.db2.gz NRBSRUSYTCRLRW-LLVKDONJSA-N 0 3 236.319 0.402 20 0 BCADHN C[C@H]1C[C@H](C(=O)NCC(=O)C2CC2)CCN1C ZINC000346827480 355127847 /nfs/dbraw/zinc/12/78/47/355127847.db2.gz MTINYGQTWSPDBD-GXSJLCMTSA-N 0 3 238.331 0.812 20 0 BCADHN COC(=O)CCN1CC[C@H](C(=O)OC)[C@H]1C ZINC000347017956 355206663 /nfs/dbraw/zinc/20/66/63/355206663.db2.gz LBAQNJXRNKTFKQ-BDAKNGLRSA-N 0 3 229.276 0.433 20 0 BCADHN CS(=O)(=O)N[C@@H]1CCN(CCCCF)C1 ZINC000352005890 134034779 /nfs/dbraw/zinc/03/47/79/134034779.db2.gz SLTCLUKMYGJSCB-SECBINFHSA-N 0 3 238.328 0.360 20 0 BCADHN CC[C@@H](C)[C@@H](CN1CCC[C@@H]1C(N)=O)OC ZINC000639232141 355213663 /nfs/dbraw/zinc/21/36/63/355213663.db2.gz BJEKHOZXOHXAQJ-GMTAPVOTSA-N 0 3 228.336 0.997 20 0 BCADHN CN(C(=O)Cc1ccon1)[C@H]1CCN(C2CC2)C1 ZINC000346964490 355172241 /nfs/dbraw/zinc/17/22/41/355172241.db2.gz BHAUIZAKGYTSJH-LBPRGKRZSA-N 0 3 249.314 0.912 20 0 BCADHN C[C@]1(F)CNCCN(Cc2cc[nH]n2)C1 ZINC000335254844 355184532 /nfs/dbraw/zinc/18/45/32/355184532.db2.gz BIZZBLDTSCOOIO-JTQLQIEISA-N 0 3 212.272 0.543 20 0 BCADHN C[C@H]1CCN(CCOCC(F)F)[C@H]1CO ZINC000346987061 355187187 /nfs/dbraw/zinc/18/71/87/355187187.db2.gz PZOPSNORZURDGX-IUCAKERBSA-N 0 3 223.263 0.971 20 0 BCADHN CC[C@@H](O)CSc1nnnn1CCN(C)C ZINC000412998261 191333446 /nfs/dbraw/zinc/33/34/46/191333446.db2.gz YGHBQNJNYRSURS-MRVPVSSYSA-N 0 3 245.352 0.098 20 0 BCADHN CO[C@@H](C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000347001921 355199551 /nfs/dbraw/zinc/19/95/51/355199551.db2.gz BMOIVOAWYVLRGD-ONGXEEELSA-N 0 3 226.320 0.716 20 0 BCADHN Cc1c(CN2CCNC[C@@](C)(F)C2)cnn1C ZINC000335259852 355199978 /nfs/dbraw/zinc/19/99/78/355199978.db2.gz WLFYUGGACUAXGR-GFCCVEGCSA-N 0 3 240.326 0.862 20 0 BCADHN CCOCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000347009581 355203823 /nfs/dbraw/zinc/20/38/23/355203823.db2.gz FTPMQLPZOFASBW-NSHDSACASA-N 0 3 226.320 0.718 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C(=O)OC)C(C)C)N(C)C ZINC000413101822 191355554 /nfs/dbraw/zinc/35/55/54/191355554.db2.gz HGDLXAJBUFRHGV-UWVGGRQHSA-N 0 3 244.335 0.640 20 0 BCADHN CCn1nnc(C)c1CNC[C@H]1C[C@@H](O)C1 ZINC000623748648 355221633 /nfs/dbraw/zinc/22/16/33/355221633.db2.gz BGVHMCGYPLKVPJ-AOOOYVTPSA-N 0 3 224.308 0.467 20 0 BCADHN CC[C@H](NC[C@@H](OC)C1CC1)C(=O)NC ZINC000639240933 355226394 /nfs/dbraw/zinc/22/63/94/355226394.db2.gz DLKMSXQPEYYESB-VHSXEESVSA-N 0 3 214.309 0.526 20 0 BCADHN CC[C@H](NC[C@@H](OC)[C@H]1CCOC1)C(=O)NC ZINC000639241665 355226773 /nfs/dbraw/zinc/22/67/73/355226773.db2.gz LEGLZEHCQQIPOF-GARJFASQSA-N 0 3 244.335 0.152 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H]1C(=O)OC)N(C)C ZINC000413129288 191357973 /nfs/dbraw/zinc/35/79/73/191357973.db2.gz XUXYOPUUYFHKQQ-ZJUUUORDSA-N 0 3 242.319 0.491 20 0 BCADHN CCCCN(CCO)C(=O)[C@@H](CC)N(C)C ZINC000413134848 191358728 /nfs/dbraw/zinc/35/87/28/191358728.db2.gz DJAHAJSJQZDFLH-LLVKDONJSA-N 0 3 230.352 0.948 20 0 BCADHN CC[C@H](N[C@@H](C)[C@@H](C)OC)C(=O)NC ZINC000639242566 355229277 /nfs/dbraw/zinc/22/92/77/355229277.db2.gz TZCNYCBRVPCHEU-YIZRAAEISA-N 0 3 202.298 0.524 20 0 BCADHN O=C(CCN1CC[C@H](O)C1)NC1CCCC1 ZINC000113503248 355241060 /nfs/dbraw/zinc/24/10/60/355241060.db2.gz OGLVYLYDTNBFAC-NSHDSACASA-N 0 3 226.320 0.502 20 0 BCADHN C[C@H](C(=O)NCCN(C)C)C(=O)OC(C)(C)C ZINC000413026558 191344462 /nfs/dbraw/zinc/34/44/62/191344462.db2.gz JLMBRJKXFIZHTI-SECBINFHSA-N 0 3 244.335 0.642 20 0 BCADHN Cn1cc(NC(=O)[C@@H]2C[C@@H]2N)c(C(F)(F)F)n1 ZINC000335280498 355244529 /nfs/dbraw/zinc/24/45/29/355244529.db2.gz MQOWRFMUYOJKPL-UHNVWZDZSA-N 0 3 248.208 0.725 20 0 BCADHN CC[C@@H](CN(C)CC(C)(CO)CO)OC ZINC000412978784 191348972 /nfs/dbraw/zinc/34/89/72/191348972.db2.gz RDRNYHUFTDSKNT-JTQLQIEISA-N 0 3 219.325 0.334 20 0 BCADHN CC[C@@H](CN1CCSC[C@H]1CO)OC ZINC000412979026 191349399 /nfs/dbraw/zinc/34/93/99/191349399.db2.gz RZGHKZRPDGAUKW-ZJUUUORDSA-N 0 3 219.350 0.821 20 0 BCADHN CCc1cc(N[C@H](CO)[C@@H](C)O)ccn1 ZINC000413466146 191382098 /nfs/dbraw/zinc/38/20/98/191382098.db2.gz WZKMNRBCDRPHNU-LDYMZIIASA-N 0 3 210.277 0.220 20 0 BCADHN CN(C(=O)N[C@H]1CNCCC1(F)F)C1CC1 ZINC000335289829 355261488 /nfs/dbraw/zinc/26/14/88/355261488.db2.gz RKMJYLDAXQHISB-QMMMGPOBSA-N 0 3 233.262 0.787 20 0 BCADHN CCC[C@@H](O)[C@H](CO)Nc1ccnc(CC)c1 ZINC000413500621 191391090 /nfs/dbraw/zinc/39/10/90/191391090.db2.gz KPPHMTPOGVBSRR-QWHCGFSZSA-N 0 3 238.331 1.000 20 0 BCADHN CNC(=O)CCN[C@@H](C)c1ccnc(OC)c1 ZINC000347641872 355271201 /nfs/dbraw/zinc/27/12/01/355271201.db2.gz BYYCMMOMTLDRCC-VIFPVBQESA-N 0 3 237.303 0.877 20 0 BCADHN CCO[C@@H](C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000347600358 355252145 /nfs/dbraw/zinc/25/21/45/355252145.db2.gz LLAYZMMKHRXUKY-VHSXEESVSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@@H](C(=O)NC(C)(C)COC)N(C)C ZINC000413325797 191368380 /nfs/dbraw/zinc/36/83/80/191368380.db2.gz BFUYCEKESYNWJW-VIFPVBQESA-N 0 3 216.325 0.868 20 0 BCADHN CC[C@H](C(=O)N(C)C(C)(C)C(=O)OC)N(C)C ZINC000413361427 191374458 /nfs/dbraw/zinc/37/44/58/191374458.db2.gz OEUKWSAREICBQX-SECBINFHSA-N 0 3 244.335 0.737 20 0 BCADHN C[NH+](C)CC(C)(C)N=c1ncnc2[nH][n-]cc1-2 ZINC000413359449 191374582 /nfs/dbraw/zinc/37/45/82/191374582.db2.gz MBCJVTIMMRJZDI-UHFFFAOYSA-N 0 3 234.307 0.479 20 0 BCADHN C[C@H]1CN(CCOCCO)CCC1(F)F ZINC000352018110 134036772 /nfs/dbraw/zinc/03/67/72/134036772.db2.gz NPEUVJJBPLKORX-VIFPVBQESA-N 0 3 223.263 0.972 20 0 BCADHN C[C@@H]1CC(C)(C)CN1Cc1cnc(N)nc1N ZINC000639265097 355322559 /nfs/dbraw/zinc/32/25/59/355322559.db2.gz DKWCZLRWZJTYCR-MRVPVSSYSA-N 0 3 235.335 0.922 20 0 BCADHN CNC(=O)C1CN(CCC[C@H]2CCO2)C1 ZINC000639268985 355330696 /nfs/dbraw/zinc/33/06/96/355330696.db2.gz XXFIRCOOMOBDQB-JTQLQIEISA-N 0 3 212.293 0.233 20 0 BCADHN COCCNC(=O)C1(N[C@H](C)[C@@H]2C[C@H]2C)CC1 ZINC000414184113 191454746 /nfs/dbraw/zinc/45/47/46/191454746.db2.gz NNFPHQCLSKJLFZ-GMTAPVOTSA-N 0 3 240.347 0.916 20 0 BCADHN Cc1cc(CNC[C@H]2C[C@@H](O)C2)nn1C ZINC000623748897 355277757 /nfs/dbraw/zinc/27/77/57/355277757.db2.gz MTYGMWXMJHZKGL-JGZJWPJOSA-N 0 3 209.293 0.589 20 0 BCADHN CCN1C[C@@H](NC[C@@]2(OC)CCOC2)CC1=O ZINC000639248281 355278072 /nfs/dbraw/zinc/27/80/72/355278072.db2.gz VXYLGMRENPQHOA-JQWIXIFHSA-N 0 3 242.319 0.002 20 0 BCADHN CO[C@]1(CN2CC3(C2)CCCOC3)CCOC1 ZINC000639250997 355281629 /nfs/dbraw/zinc/28/16/29/355281629.db2.gz FSTAGDHLLPQXHT-ZDUSSCGKSA-N 0 3 241.331 0.904 20 0 BCADHN CCNC(=O)C1CN(C[C@@](C)(OC)C2CC2)C1 ZINC000639251778 355284916 /nfs/dbraw/zinc/28/49/16/355284916.db2.gz WJGIMAURWUOKJL-CYBMUJFWSA-N 0 3 240.347 0.869 20 0 BCADHN CS[C@@H](C)CNC[C@H](C)S(C)(=O)=O ZINC000584345874 355366420 /nfs/dbraw/zinc/36/64/20/355366420.db2.gz FUBMHXDQKBZKBS-YUMQZZPRSA-N 0 3 225.379 0.761 20 0 BCADHN COCC1(CCNCc2ncnn2C)CC1 ZINC000639282749 355376811 /nfs/dbraw/zinc/37/68/11/355376811.db2.gz MMOBGULMDBAWIV-UHFFFAOYSA-N 0 3 224.308 0.721 20 0 BCADHN COCCCNC(=O)CN[C@@](C)(CO)C(C)C ZINC000398573708 355377472 /nfs/dbraw/zinc/37/74/72/355377472.db2.gz QBQVJGKPBDFFJC-LBPRGKRZSA-N 0 3 246.351 0.136 20 0 BCADHN CN(C(=O)c1cncn1C)[C@@H]1CCCN(C)C1 ZINC000335757605 355393817 /nfs/dbraw/zinc/39/38/17/355393817.db2.gz ZLQFKFSQBFPJMT-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN C[C@H]1[C@@H](C)N(Cc2cnc(N)nc2N)C[C@H]1C ZINC000639270406 355338257 /nfs/dbraw/zinc/33/82/57/355338257.db2.gz GJVUIUHFDSHMOH-IWSPIJDZSA-N 0 3 235.335 0.778 20 0 BCADHN CCC[C@H](CN[C@@H]1COC[C@H]1OC)OC ZINC000639285546 355390833 /nfs/dbraw/zinc/39/08/33/355390833.db2.gz MXFSEENUGQZHET-GMTAPVOTSA-N 0 3 217.309 0.805 20 0 BCADHN C[C@H]1CN(C(=O)[C@H]2CCNCC2(F)F)CCN1 ZINC000335990402 134040395 /nfs/dbraw/zinc/04/03/95/134040395.db2.gz DRAWPVDABAIHIL-DTWKUNHWSA-N 0 3 247.289 0.052 20 0 BCADHN CN(C(=O)C1CCN(C)CC1)[C@H]1CCCOC1 ZINC000335778272 355404789 /nfs/dbraw/zinc/40/47/89/355404789.db2.gz QBVKZGBGGFEIAZ-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](NCCCOCCO)c1ccn(C)n1 ZINC000349714990 355417846 /nfs/dbraw/zinc/41/78/46/355417846.db2.gz CIKGNQCTISKLHI-LLVKDONJSA-N 0 3 241.335 0.860 20 0 BCADHN CCN1CCCN(C[C@@H]2CCOC2)CC1=O ZINC000335787157 355437573 /nfs/dbraw/zinc/43/75/73/355437573.db2.gz LLPOYCSKVDWCIX-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN CC(=O)N1CC[C@H](NCc2cncc(F)c2)C1 ZINC000335790884 355442833 /nfs/dbraw/zinc/44/28/33/355442833.db2.gz ZYNHLJXCAUDJHU-LBPRGKRZSA-N 0 3 237.278 0.931 20 0 BCADHN O=C1[C@H](N2CCN3CCC[C@@H]3C2)CCN1C1CC1 ZINC000335811101 355496148 /nfs/dbraw/zinc/49/61/48/355496148.db2.gz UWYQKSDDXPEMBR-CHWSQXEVSA-N 0 3 249.358 0.530 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@H](C)[C@H](O)C1 ZINC000335997647 134042889 /nfs/dbraw/zinc/04/28/89/134042889.db2.gz FWOVZUQSKKHCCF-JOYOIKCWSA-N 0 3 223.320 0.931 20 0 BCADHN CN(C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000335797908 355454991 /nfs/dbraw/zinc/45/49/91/355454991.db2.gz DITRWJMCQNADSO-JTQLQIEISA-N 0 3 211.309 0.837 20 0 BCADHN CCNS(=O)(=O)N[C@@H](C)CN(C)C(C)C ZINC000349772754 355455177 /nfs/dbraw/zinc/45/51/77/355455177.db2.gz DSTFTLUIMLMGPP-VIFPVBQESA-N 0 3 237.369 0.159 20 0 BCADHN CSC1(CN2C[C@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000335998737 134043875 /nfs/dbraw/zinc/04/38/75/134043875.db2.gz PLLHWBCXZDQLOZ-GHMZBOCLSA-N 0 3 242.388 0.897 20 0 BCADHN CCCN(C)CC(=O)NCCn1cnnc1C ZINC000349853336 355485041 /nfs/dbraw/zinc/48/50/41/355485041.db2.gz SCQMSVABJINHJC-UHFFFAOYSA-N 0 3 239.323 0.045 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N(C)CCCCO ZINC000349948506 355534695 /nfs/dbraw/zinc/53/46/95/355534695.db2.gz WIPZNYGQOGAMOQ-NSHDSACASA-N 0 3 230.352 0.946 20 0 BCADHN CC(C)N1CC[C@H](N(C)CCCCO)C1=O ZINC000349957186 355536749 /nfs/dbraw/zinc/53/67/49/355536749.db2.gz ZYXICEUQWMAWQP-NSHDSACASA-N 0 3 228.336 0.700 20 0 BCADHN CC(C)[C@@H](O)C(=O)NCCN1CCCC[C@@H]1C ZINC000349896630 355521534 /nfs/dbraw/zinc/52/15/34/355521534.db2.gz QAIQYAABKQCEQM-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN O=C(COC(F)F)NCCN1CCCCC1 ZINC000349899537 355522447 /nfs/dbraw/zinc/52/24/47/355522447.db2.gz XJCAVRXSJCVRSZ-UHFFFAOYSA-N 0 3 236.262 0.828 20 0 BCADHN NC(=O)C1(CNC(=O)[C@H]2C[C@H]2N)CCCC1 ZINC000331857526 181200157 /nfs/dbraw/zinc/20/01/57/181200157.db2.gz IDPBHTHDWVZNPO-JGVFFNPUSA-N 0 3 225.292 0.545 20 0 BCADHN N=C(NO)[C@@H]1CCCCN1CC(=O)NC1CC1 ZINC000374170343 181200423 /nfs/dbraw/zinc/20/04/23/181200423.db2.gz BJMQNZUTRCIRHY-VIFPVBQESA-N 0 3 240.307 0.076 20 0 BCADHN Cc1ccccc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000335851563 355595587 /nfs/dbraw/zinc/59/55/87/355595587.db2.gz WQPMNTALOLVKQV-CQSZACIVSA-N 0 3 248.326 0.791 20 0 BCADHN CCc1nocc1CN1CC[C@@H](C(N)=O)C1 ZINC000350145311 355614286 /nfs/dbraw/zinc/61/42/86/355614286.db2.gz XFHZLMOVUUVZRE-MRVPVSSYSA-N 0 3 223.276 0.544 20 0 BCADHN CC(C)N(Cc1ccc(=O)[nH]c1)C[C@H](O)CO ZINC000639298637 355614387 /nfs/dbraw/zinc/61/43/87/355614387.db2.gz YDFJBTLSTFLCNP-NSHDSACASA-N 0 3 240.303 0.351 20 0 BCADHN CCC[C@@H](CN[C@H]1CCNC1=O)OC ZINC000639302437 355647886 /nfs/dbraw/zinc/64/78/86/355647886.db2.gz FLEPUSIAKJSSIF-IUCAKERBSA-N 0 3 200.282 0.280 20 0 BCADHN CC[C@@H](C)CCNCc1cnc(N)nc1N ZINC000639308734 355664952 /nfs/dbraw/zinc/66/49/52/355664952.db2.gz OBCSWJIYEGWPQN-MRVPVSSYSA-N 0 3 223.324 0.828 20 0 BCADHN CC[C@H](N[C@H]1CS(=O)(=O)C[C@H]1OC)C1CC1 ZINC000639310137 355666035 /nfs/dbraw/zinc/66/60/35/355666035.db2.gz OFLCNTUVDXUOPB-GARJFASQSA-N 0 3 247.360 0.577 20 0 BCADHN COC[C@H](CCNCc1snnc1C)OC ZINC000639305515 355668139 /nfs/dbraw/zinc/66/81/39/355668139.db2.gz TZSLDDSZEKGVAA-VIFPVBQESA-N 0 3 245.348 0.988 20 0 BCADHN CCCN(Cc1ncnn1C)[C@H]1CCN(C)C1 ZINC000639298817 355617799 /nfs/dbraw/zinc/61/77/99/355617799.db2.gz NEQOPGCPMRIYFS-NSHDSACASA-N 0 3 237.351 0.731 20 0 BCADHN NC(=O)OCCNC(=O)C12CCCN1CCC2 ZINC000368665633 181203812 /nfs/dbraw/zinc/20/38/12/181203812.db2.gz HMHXJBKXJKGHHL-UHFFFAOYSA-N 0 3 241.291 0.240 20 0 BCADHN CC(C)[C@@H]1CN(CC(=O)N(C)C)CCN1C ZINC000335871506 355637815 /nfs/dbraw/zinc/63/78/15/355637815.db2.gz BMNMIVPNDKZEFJ-NSHDSACASA-N 0 3 227.352 0.347 20 0 BCADHN CC[C@H](COC)NC(=O)NCCN(C)C1CC1 ZINC000350396992 355695902 /nfs/dbraw/zinc/69/59/02/355695902.db2.gz YFDQUPINDPIHOZ-SNVBAGLBSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCc2cnccn2)C1 ZINC000582190062 355699215 /nfs/dbraw/zinc/69/92/15/355699215.db2.gz JNZRUXYRKXLLQA-LLVKDONJSA-N 0 3 248.330 0.477 20 0 BCADHN COC[C@H](O)CN1CCC[C@H]2COC[C@H]21 ZINC000367106332 355704630 /nfs/dbraw/zinc/70/46/30/355704630.db2.gz ITQPXOOBCDMHKT-HBNTYKKESA-N 0 3 215.293 0.105 20 0 BCADHN COC1CC(NCc2ccnc(N(C)C)n2)C1 ZINC000350509106 355713617 /nfs/dbraw/zinc/71/36/17/355713617.db2.gz KQWWHACLZGIKAW-UHFFFAOYSA-N 0 3 236.319 0.810 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H](O)C1)N(CC)CC ZINC000350513364 355715380 /nfs/dbraw/zinc/71/53/80/355715380.db2.gz PDERZPOPQBZDGI-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN O=C(c1c[nH]c(C2CC2)n1)N1CCCNCC1 ZINC000335893117 355686509 /nfs/dbraw/zinc/68/65/09/355686509.db2.gz ZSSYOPLRJSUKAI-UHFFFAOYSA-N 0 3 234.303 0.723 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc(CN)o1 ZINC000335894489 355688186 /nfs/dbraw/zinc/68/81/86/355688186.db2.gz JORDCQOUHKRTRC-DTWKUNHWSA-N 0 3 237.303 0.561 20 0 BCADHN CCC(O)(CC)CCNC(=O)NCCN(C)C ZINC000350627900 355734458 /nfs/dbraw/zinc/73/44/58/355734458.db2.gz WTSARNKBLCYIQD-UHFFFAOYSA-N 0 3 245.367 0.788 20 0 BCADHN C[C@H](CN(C)C)NC(=O)Nc1ccnn1C ZINC000350661829 355739245 /nfs/dbraw/zinc/73/92/45/355739245.db2.gz CZLQWTOXRQJXDH-MRVPVSSYSA-N 0 3 225.296 0.492 20 0 BCADHN C[C@H](NCc1ccc(=O)[nH]c1)C(=O)N1CCCC1 ZINC000631127741 355773099 /nfs/dbraw/zinc/77/30/99/355773099.db2.gz UBKRATJZMFWBCC-JTQLQIEISA-N 0 3 249.314 0.888 20 0 BCADHN CO[C@H](CN1CCN(C)C[C@H]1CO)C1CC1 ZINC000639333247 355762356 /nfs/dbraw/zinc/76/23/56/355762356.db2.gz GQUWFRSCFACMQW-NWDGAFQWSA-N 0 3 228.336 0.020 20 0 BCADHN CCn1nncc1CN1CCC[C@H]2CN(C)C[C@H]21 ZINC000425354956 191821089 /nfs/dbraw/zinc/82/10/89/191821089.db2.gz KTDRFSFQEVBQJR-WCQYABFASA-N 0 3 249.362 0.824 20 0 BCADHN CCC[C@H](CC)NC(=O)NC[C@H]1CNCCO1 ZINC000417346045 191789688 /nfs/dbraw/zinc/78/96/88/191789688.db2.gz TUSCWQOPYWXGAC-WDEREUQCSA-N 0 3 243.351 0.853 20 0 BCADHN CC1(C)C[C@]1(C)NCc1cnc(N)nc1N ZINC000639326632 355731967 /nfs/dbraw/zinc/73/19/67/355731967.db2.gz CUJBEVJWARAMIO-NSHDSACASA-N 0 3 221.308 0.580 20 0 BCADHN CN1CCN(CC[C@@H]2CCOC2)[C@H](CO)C1 ZINC000639337203 355775846 /nfs/dbraw/zinc/77/58/46/355775846.db2.gz PWVDICDBRYLKRJ-NEPJUHHUSA-N 0 3 228.336 0.021 20 0 BCADHN C[C@@H](N[C@H]1CCNC1=O)[C@@H]1CC1(F)F ZINC000639338720 355779100 /nfs/dbraw/zinc/77/91/00/355779100.db2.gz VFVPRWBBFNIHNJ-VQVTYTSYSA-N 0 3 204.220 0.508 20 0 BCADHN Cn1cccc1CNC[C@@H]1COCCN1C ZINC000623710619 355780080 /nfs/dbraw/zinc/78/00/80/355780080.db2.gz JCNZJEWYGVPMBH-GFCCVEGCSA-N 0 3 223.320 0.445 20 0 BCADHN C[C@H](NCc1cn[nH]n1)[C@H]1CC1(F)F ZINC000639339712 355780773 /nfs/dbraw/zinc/78/07/73/355780773.db2.gz ATNAHKSUVJBLKI-CAHLUQPWSA-N 0 3 202.208 0.938 20 0 BCADHN C[C@H](NCc1c[nH]nn1)[C@H]1CC1(F)F ZINC000639339712 355780775 /nfs/dbraw/zinc/78/07/75/355780775.db2.gz ATNAHKSUVJBLKI-CAHLUQPWSA-N 0 3 202.208 0.938 20 0 BCADHN CC1CC(CNCc2cnc(N)nc2N)C1 ZINC000639339486 355780807 /nfs/dbraw/zinc/78/08/07/355780807.db2.gz CQEAJBLTYWJAAK-UHFFFAOYSA-N 0 3 221.308 0.437 20 0 BCADHN C[C@H](NCc1cn[nH]n1)[C@@H]1CC1(F)F ZINC000639339714 355780891 /nfs/dbraw/zinc/78/08/91/355780891.db2.gz ATNAHKSUVJBLKI-FSPLSTOPSA-N 0 3 202.208 0.938 20 0 BCADHN C[C@H](NCc1c[nH]nn1)[C@@H]1CC1(F)F ZINC000639339714 355780893 /nfs/dbraw/zinc/78/08/93/355780893.db2.gz ATNAHKSUVJBLKI-FSPLSTOPSA-N 0 3 202.208 0.938 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(OC)c(N)c1 ZINC000564209495 324736726 /nfs/dbraw/zinc/73/67/26/324736726.db2.gz YDQUHJIUWAKGRF-MRVPVSSYSA-N 0 3 223.276 0.953 20 0 BCADHN CCn1nncc1CNC[C@]1(OC)CCOC1 ZINC000639344195 355787150 /nfs/dbraw/zinc/78/71/50/355787150.db2.gz WHDLBYLKXDAQEO-LLVKDONJSA-N 0 3 240.307 0.193 20 0 BCADHN CCn1nncc1CNC[C@@]1(OC)CCOC1 ZINC000639344196 355787452 /nfs/dbraw/zinc/78/74/52/355787452.db2.gz WHDLBYLKXDAQEO-NSHDSACASA-N 0 3 240.307 0.193 20 0 BCADHN C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)N1CCC1 ZINC000336025162 134056738 /nfs/dbraw/zinc/05/67/38/134056738.db2.gz RTOCNWJLXCFUEB-UWVGGRQHSA-N 0 3 239.319 0.854 20 0 BCADHN CC[C@@H](C)[C@H](CN1C[C@H](O)[C@@H](O)C1)OC ZINC000639347413 355794097 /nfs/dbraw/zinc/79/40/97/355794097.db2.gz IXGQDJCNCOMJPD-RCWTZXSCSA-N 0 3 217.309 0.085 20 0 BCADHN C[C@@H](CO)CN(C)CCN1CCCC1=O ZINC000608498363 355825827 /nfs/dbraw/zinc/82/58/27/355825827.db2.gz JNBKPBSVMYVHRP-SNVBAGLBSA-N 0 3 214.309 0.169 20 0 BCADHN COCC(=O)NC1CCN([C@@H](C)COC)CC1 ZINC000608492433 355814799 /nfs/dbraw/zinc/81/47/99/355814799.db2.gz KJSSITMGFIUIOH-JTQLQIEISA-N 0 3 244.335 0.248 20 0 BCADHN CO[C@H](CNC(=O)[C@@H](N)C1CCC1)C(C)C ZINC000399089962 355836922 /nfs/dbraw/zinc/83/69/22/355836922.db2.gz SUYXKNYPUHBLCA-MNOVXSKESA-N 0 3 228.336 0.901 20 0 BCADHN CNCCNS(=O)(=O)CCCC(F)(F)F ZINC000213775236 355839984 /nfs/dbraw/zinc/83/99/84/355839984.db2.gz UBYLJAKLBWJASR-UHFFFAOYSA-N 0 3 248.270 0.468 20 0 BCADHN NC(=O)C1(NCCCc2ccncc2)CC1 ZINC000336659063 181214454 /nfs/dbraw/zinc/21/44/54/181214454.db2.gz APJQZWIWXVZLCU-UHFFFAOYSA-N 0 3 219.288 0.622 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2ccon2)CCN1C ZINC000336025835 134057333 /nfs/dbraw/zinc/05/73/33/134057333.db2.gz FQRXFAGFZMFIMK-DTWKUNHWSA-N 0 3 223.276 0.887 20 0 BCADHN C[C@H](NC(=O)C(N)C(F)(F)F)c1cn[nH]c1 ZINC000584349364 355854031 /nfs/dbraw/zinc/85/40/31/355854031.db2.gz QESROEOQAXDWAX-UJURSFKZSA-N 0 3 236.197 0.477 20 0 BCADHN NC(=O)C1(NCc2ccccc2)CCOCC1 ZINC000037941361 181215246 /nfs/dbraw/zinc/21/52/46/181215246.db2.gz QGXVPEMQKYYNOP-UHFFFAOYSA-N 0 3 234.299 0.811 20 0 BCADHN CC(C)NCC(=O)N(C)C[C@@H]1CCOC1 ZINC000399222554 355865141 /nfs/dbraw/zinc/86/51/41/355865141.db2.gz CMZOWUTXYHRJDB-JTQLQIEISA-N 0 3 214.309 0.479 20 0 BCADHN NC(=O)C1(NC[C@H]2CCCO2)CCCC1 ZINC000037943029 181215388 /nfs/dbraw/zinc/21/53/88/181215388.db2.gz GSNPDYRQRHRDNS-SECBINFHSA-N 0 3 212.293 0.553 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1CC1 ZINC000336035048 134059666 /nfs/dbraw/zinc/05/96/66/134059666.db2.gz NKMTZCOTTSGFLN-GZMMTYOYSA-N 0 3 208.305 0.995 20 0 BCADHN CO[C@H](CN[C@@H]1COC[C@@H]1O)CC(C)C ZINC000639363911 355831883 /nfs/dbraw/zinc/83/18/83/355831883.db2.gz UVMRFWINCSXARE-AXFHLTTASA-N 0 3 217.309 0.397 20 0 BCADHN C[C@@H]1C(=O)NCCCN1C[C@@H]1CCOC1 ZINC000336052854 134065448 /nfs/dbraw/zinc/06/54/48/134065448.db2.gz ZYLKGYOMBXRPRI-ZJUUUORDSA-N 0 3 212.293 0.233 20 0 BCADHN CC[C@@](C)(NC[C@H](O)COCC(C)C)C(N)=O ZINC000127182875 324753310 /nfs/dbraw/zinc/75/33/10/324753310.db2.gz FABIHUWZPHEMOE-CMPLNLGQSA-N 0 3 246.351 0.264 20 0 BCADHN NC(=O)CC1(NCc2ccccn2)CCC1 ZINC000309607135 181219100 /nfs/dbraw/zinc/21/91/00/181219100.db2.gz YFPDDDDKBJGGIM-UHFFFAOYSA-N 0 3 219.288 0.969 20 0 BCADHN CC1(NC[C@@H]2CNc3ccnn3C2)COC1 ZINC000639382107 355926175 /nfs/dbraw/zinc/92/61/75/355926175.db2.gz LYXNKQBNMWEMNF-VIFPVBQESA-N 0 3 222.292 0.303 20 0 BCADHN C[C@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1C ZINC000350978568 355934015 /nfs/dbraw/zinc/93/40/15/355934015.db2.gz OILZINQNNAUZEF-VHSXEESVSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1C ZINC000350978567 355934192 /nfs/dbraw/zinc/93/41/92/355934192.db2.gz OILZINQNNAUZEF-UWVGGRQHSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@@H](NCc1cnc(N(C)C)n1C)[C@H](C)CO ZINC000166905692 355937277 /nfs/dbraw/zinc/93/72/77/355937277.db2.gz WYOPRKQOPJZRJT-NXEZZACHSA-N 0 3 240.351 0.593 20 0 BCADHN NC(=O)C1CCN(Cc2ccncc2)CC1 ZINC000064552845 181218095 /nfs/dbraw/zinc/21/80/95/181218095.db2.gz FNBWLVAZSIHKEW-UHFFFAOYSA-N 0 3 219.288 0.779 20 0 BCADHN CCOCCCNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000167380008 355986895 /nfs/dbraw/zinc/98/68/95/355986895.db2.gz GGWCOQYTNWGSPT-WDEREUQCSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)Nc2ccn(C)n2)C1 ZINC000167407595 355992458 /nfs/dbraw/zinc/99/24/58/355992458.db2.gz VZBFOVLYRXZMPR-IUCAKERBSA-N 0 3 222.292 0.747 20 0 BCADHN NC(=O)[C@@H](Cc1ccccc1)N[C@H]1CCOC1 ZINC000351449565 355993474 /nfs/dbraw/zinc/99/34/74/355993474.db2.gz ZHLRSXHVCMDFBV-NWDGAFQWSA-N 0 3 234.299 0.462 20 0 BCADHN NC(=O)[C@H](Cc1ccccc1)N[C@H]1CCOC1 ZINC000351449566 355993625 /nfs/dbraw/zinc/99/36/25/355993625.db2.gz ZHLRSXHVCMDFBV-RYUDHWBXSA-N 0 3 234.299 0.462 20 0 BCADHN CC[C@@H](C(=O)N1CCN(CC)CC1)N(C)C ZINC000351490306 356000307 /nfs/dbraw/zinc/00/03/07/356000307.db2.gz KPVVGLDVLPJXJX-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN CN(Cc1ccon1)C1CCN(CCO)CC1 ZINC000351491220 356000889 /nfs/dbraw/zinc/00/08/89/356000889.db2.gz NADMLZJQLLDMPT-UHFFFAOYSA-N 0 3 239.319 0.563 20 0 BCADHN CCn1nncc1CNCCN(C)C(C)C ZINC000417897227 191939753 /nfs/dbraw/zinc/93/97/53/191939753.db2.gz XKZVNCZCLCVXLF-UHFFFAOYSA-N 0 3 225.340 0.728 20 0 BCADHN Cc1ccnc(C(=O)N(C)CCN(C)C2CC2)n1 ZINC000351144289 355952737 /nfs/dbraw/zinc/95/27/37/355952737.db2.gz WPSIYURECSQZIU-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN CO[C@@H](C(=O)N(C)CCN(C)C1CC1)C1CC1 ZINC000351179091 355959362 /nfs/dbraw/zinc/95/93/62/355959362.db2.gz CIACFSFLXQTQAC-GFCCVEGCSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@@H](COC)NC(=O)N1CCCN(C)CC1 ZINC000351222485 355963070 /nfs/dbraw/zinc/96/30/70/355963070.db2.gz ZEMNRRPXHINKRD-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN C[C@H](CN[C@H]1CCCOC1)S(C)(=O)=O ZINC000389326622 355966634 /nfs/dbraw/zinc/96/66/34/355966634.db2.gz TVUNWOZVGVKAFC-BDAKNGLRSA-N 0 3 221.322 0.188 20 0 BCADHN CC[C@](C)(CCO)NC(=O)C1CCN(C)CC1 ZINC000351629216 356034631 /nfs/dbraw/zinc/03/46/31/356034631.db2.gz CMRFBXCYOLCUKT-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN CCOC[C@H](C)NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418044986 191958107 /nfs/dbraw/zinc/95/81/07/191958107.db2.gz NUHCTQVTBPIYEJ-GARJFASQSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@@H](CO)N(Cc1cnnn1C)C1CCCC1 ZINC000351632262 356036581 /nfs/dbraw/zinc/03/65/81/356036581.db2.gz WZCNWXSLGMMYDW-JTQLQIEISA-N 0 3 238.335 0.941 20 0 BCADHN CC[C@H](CCO)CNCc1cncnc1 ZINC000087362604 491086485 /nfs/dbraw/zinc/08/64/85/491086485.db2.gz QAHZUENXZUVGNH-SNVBAGLBSA-N 0 3 209.293 0.975 20 0 BCADHN C[C@H](c1ccccn1)N1CC[C@@](O)(C(N)=O)C1 ZINC000351637588 356039466 /nfs/dbraw/zinc/03/94/66/356039466.db2.gz APOCQVBYBSSYGT-SKDRFNHKSA-N 0 3 235.287 0.065 20 0 BCADHN C[C@@H]1CC[C@H](N(CCO)CC(=O)N(C)C)C1 ZINC000351644945 356042114 /nfs/dbraw/zinc/04/21/14/356042114.db2.gz BLHBIGHYSMXWDT-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN NC(=O)CN[C@@H]1CCC[C@H]1OC(F)F ZINC000348218791 181237060 /nfs/dbraw/zinc/23/70/60/181237060.db2.gz FZBLJYVHFDTONL-PHDIDXHHSA-N 0 3 208.208 0.222 20 0 BCADHN CC[C@@](C)(CCO)NC(=O)CN(C)C(C)C ZINC000351656759 356046810 /nfs/dbraw/zinc/04/68/10/356046810.db2.gz FSNADCVBARKMCH-LBPRGKRZSA-N 0 3 230.352 0.994 20 0 BCADHN COC[C@@](C)(CCO)NC(=O)CN(C)C(C)C ZINC000351658095 356047561 /nfs/dbraw/zinc/04/75/61/356047561.db2.gz MFOUAQXRNWXZEX-GFCCVEGCSA-N 0 3 246.351 0.230 20 0 BCADHN CN(CCNC(=O)N1CCSCC1)C1CC1 ZINC000351673261 356051897 /nfs/dbraw/zinc/05/18/97/356051897.db2.gz JVPWCTFZNJWBGG-UHFFFAOYSA-N 0 3 243.376 0.839 20 0 BCADHN Cc1nccc(CN2CCC[C@@H](CC(N)=O)C2)n1 ZINC000351685501 356057462 /nfs/dbraw/zinc/05/74/62/356057462.db2.gz FDYHZSLCHXYDSI-NSHDSACASA-N 0 3 248.330 0.872 20 0 BCADHN CCOC(=O)COCCN1C[C@@H](O)C2(CC2)C1 ZINC000351591026 356023687 /nfs/dbraw/zinc/02/36/87/356023687.db2.gz ARIGJOQLGRYYFC-SNVBAGLBSA-N 0 3 243.303 0.023 20 0 BCADHN C[C@H](F)CCN1CCC(NC(N)=O)CC1 ZINC000351871851 356105159 /nfs/dbraw/zinc/10/51/59/356105159.db2.gz AFCAPECWESWABK-QMMMGPOBSA-N 0 3 217.288 0.867 20 0 BCADHN CCN(C(=O)[C@@H](C)CC(N)=O)[C@@H]1CCN(C)C1 ZINC000617551649 356108544 /nfs/dbraw/zinc/10/85/44/356108544.db2.gz WNPXAXNTFJXMOA-VHSXEESVSA-N 0 3 241.335 0.051 20 0 BCADHN CCN(C(=O)[C@@H]1CCO[C@@H]1C)[C@H]1CCN(C)C1 ZINC000617552854 356109374 /nfs/dbraw/zinc/10/93/74/356109374.db2.gz WLAMWRVYZQEHSW-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@H](C(=O)N(CC)[C@@H]1CCN(C)C1)N(C)C ZINC000617553724 356110874 /nfs/dbraw/zinc/11/08/74/356110874.db2.gz OVURQJOWIWPDPV-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN CCN(C(=O)[C@@H]1CCCOC1)[C@H]1CCN(C)C1 ZINC000617556539 356112694 /nfs/dbraw/zinc/11/26/94/356112694.db2.gz SILFFRANLITUDA-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(C(=O)[C@@H](C)OC)[C@@H]1CCN(C)C1 ZINC000617555944 356113119 /nfs/dbraw/zinc/11/31/19/356113119.db2.gz GOGJRCAYMOVSNH-NXEZZACHSA-N 0 3 214.309 0.574 20 0 BCADHN CCN(C(=O)c1cc[nH]n1)[C@H]1CCN(C)C1 ZINC000617557673 356115379 /nfs/dbraw/zinc/11/53/79/356115379.db2.gz QDXYQZRZBSSQRS-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN CCN(C(=O)c1ccn[nH]1)[C@H]1CCN(C)C1 ZINC000617557673 356115381 /nfs/dbraw/zinc/11/53/81/356115381.db2.gz QDXYQZRZBSSQRS-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN CCO[C@@H](C)C(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000617557693 356115415 /nfs/dbraw/zinc/11/54/15/356115415.db2.gz QODVEHNNLODUPL-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CCN(C(=O)CCCOC)[C@@H]1CCN(C)C1 ZINC000617557502 356115676 /nfs/dbraw/zinc/11/56/76/356115676.db2.gz MXKTZRXPBWCONG-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCN(C(=O)Cn1cccn1)[C@H]1CCN(C)C1 ZINC000617558837 356116163 /nfs/dbraw/zinc/11/61/63/356116163.db2.gz MBIGKBDJICHZLT-NSHDSACASA-N 0 3 236.319 0.436 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000617557974 356116507 /nfs/dbraw/zinc/11/65/07/356116507.db2.gz XOSYBLGDQBXRGL-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CCCOCC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000617556401 356117504 /nfs/dbraw/zinc/11/75/04/356117504.db2.gz PRXUOMGWODRGCE-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCN(C(=O)COC(C)C)[C@@H]1CCN(C)C1 ZINC000617556479 356117935 /nfs/dbraw/zinc/11/79/35/356117935.db2.gz RENFAKTYWHMKHZ-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@H](F)CCN1C[C@H]2OCCN(C)[C@H]2C1 ZINC000351882164 356120113 /nfs/dbraw/zinc/12/01/13/356120113.db2.gz PFBKXLYJQWSDKZ-GARJFASQSA-N 0 3 216.300 0.749 20 0 BCADHN NC(=O)C[C@H](N[C@H]1CCOC1)c1ccccc1 ZINC000293014454 181244689 /nfs/dbraw/zinc/24/46/89/181244689.db2.gz OGTUKICXNSPXKS-RYUDHWBXSA-N 0 3 234.299 0.982 20 0 BCADHN C[C@H](F)CCN1CC[C@H](NC(N)=O)C1 ZINC000351720481 356070536 /nfs/dbraw/zinc/07/05/36/356070536.db2.gz OSZSTUHFIGDWKN-YUMQZZPRSA-N 0 3 203.261 0.477 20 0 BCADHN NC(=O)N[C@H]1CCN(CCCCF)C1 ZINC000351721491 356071406 /nfs/dbraw/zinc/07/14/06/356071406.db2.gz SNOJDTYAEZARFZ-QMMMGPOBSA-N 0 3 203.261 0.479 20 0 BCADHN CC[C@@H]1CN(Cc2ccnc(C)n2)C[C@H]1O ZINC000351796762 356080942 /nfs/dbraw/zinc/08/09/42/356080942.db2.gz YGWCWWOINMJHKD-ZYHUDNBSSA-N 0 3 221.304 0.988 20 0 BCADHN NC1(C(=O)NCc2ccccc2CO)CC1 ZINC000584351776 356081030 /nfs/dbraw/zinc/08/10/30/356081030.db2.gz JJSMUTPTAJTHPA-UHFFFAOYSA-N 0 3 220.272 0.286 20 0 BCADHN CC(C)N1CCC[C@@H](N2C[C@@H](C)[C@H](O)C2)C1=O ZINC000351820111 356089142 /nfs/dbraw/zinc/08/91/42/356089142.db2.gz CIAOTPYZHKNLJG-IJLUTSLNSA-N 0 3 240.347 0.698 20 0 BCADHN CC[C@H](O)CC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000617550558 356093089 /nfs/dbraw/zinc/09/30/89/356093089.db2.gz XHWDUSJHUDTWJM-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN CC(C)[C@@H](C)N(C)CCS(=O)(=O)N(C)C ZINC000351859926 356098249 /nfs/dbraw/zinc/09/82/49/356098249.db2.gz PNLYJTVMNOSPLD-SNVBAGLBSA-N 0 3 236.381 0.854 20 0 BCADHN OC[C@@H]1CSCCN1CC1=CCCOC1 ZINC000639396526 356101275 /nfs/dbraw/zinc/10/12/75/356101275.db2.gz CKUXXQOYDOVTRL-LLVKDONJSA-N 0 3 229.345 0.743 20 0 BCADHN NC(=O)NC(=O)CN(CC1CC1)CC1CCC1 ZINC000361565841 181254196 /nfs/dbraw/zinc/25/41/96/181254196.db2.gz QONIKOCBHVSFSS-UHFFFAOYSA-N 0 3 239.319 0.693 20 0 BCADHN C[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cccnc1 ZINC000650133230 491088030 /nfs/dbraw/zinc/08/80/30/491088030.db2.gz DXVIKRHYUSSKTE-IEBDPFPHSA-N 0 3 219.288 0.996 20 0 BCADHN COC1CCN(C[C@@H]2CCc3ncnn32)CC1 ZINC000639432422 356210393 /nfs/dbraw/zinc/21/03/93/356210393.db2.gz JRJJFWACYIFIHQ-JTQLQIEISA-N 0 3 236.319 0.876 20 0 BCADHN CCN1CCN(CCc2cnccn2)CC1 ZINC000639443691 356221321 /nfs/dbraw/zinc/22/13/21/356221321.db2.gz RIGZCSDSRFPXJF-UHFFFAOYSA-N 0 3 220.320 0.657 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCCC[C@@H]1C(N)=O ZINC000639444888 356224327 /nfs/dbraw/zinc/22/43/27/356224327.db2.gz GMBAXJSKARQEDT-GARJFASQSA-N 0 3 226.320 0.751 20 0 BCADHN CCCN(C)CC(=O)NCCOCC(F)F ZINC000351906231 356181140 /nfs/dbraw/zinc/18/11/40/356181140.db2.gz KFUVWKACBZQFSY-UHFFFAOYSA-N 0 3 238.278 0.726 20 0 BCADHN CC[C@@H](NCCC(C)(C)C(=O)OC)C(=O)NC ZINC000449767551 202027501 /nfs/dbraw/zinc/02/75/01/202027501.db2.gz ANQIZNUTNJBIEK-SECBINFHSA-N 0 3 244.335 0.690 20 0 BCADHN CCN(C[C@@H](C)O)C(=O)NC[C@@H]1CCCN1C ZINC000351908260 356183044 /nfs/dbraw/zinc/18/30/44/356183044.db2.gz LBMRELLHSKDGQR-MNOVXSKESA-N 0 3 243.351 0.493 20 0 BCADHN C[C@@H](F)CCN1CCN(CCO)CC1 ZINC000351910336 356190813 /nfs/dbraw/zinc/19/08/13/356190813.db2.gz PMEZTBRSBZBBHC-SNVBAGLBSA-N 0 3 204.289 0.344 20 0 BCADHN CC[C@@H](C(=O)NCc1ccno1)N(C)C ZINC000351912956 356197131 /nfs/dbraw/zinc/19/71/31/356197131.db2.gz NLHDLYZFCYILAD-VIFPVBQESA-N 0 3 211.265 0.631 20 0 BCADHN CCC(CC)CN1CCOC[C@@H]1CC(N)=O ZINC000449767355 202027656 /nfs/dbraw/zinc/02/76/56/202027656.db2.gz DHZWDDRPLPVESV-NSHDSACASA-N 0 3 228.336 0.999 20 0 BCADHN NC(=O)N[C@H]1CCN(CCc2ccccn2)C1 ZINC000270654722 181261785 /nfs/dbraw/zinc/26/17/85/181261785.db2.gz PKXMEDWWBCFQJF-NSHDSACASA-N 0 3 234.303 0.367 20 0 BCADHN CCN(CCO)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000639475454 356269961 /nfs/dbraw/zinc/26/99/61/356269961.db2.gz YNAIOJKKZUFGHC-RYUDHWBXSA-N 0 3 231.336 0.213 20 0 BCADHN NC(=O)C[C@@H]1CCCCN1CCc1cnccn1 ZINC000639475578 356270699 /nfs/dbraw/zinc/27/06/99/356270699.db2.gz ZBHNQAXCRCPABQ-LBPRGKRZSA-N 0 3 248.330 0.749 20 0 BCADHN C[C@@H]1CN(c2ncnc(N)c2Cl)CCN1 ZINC000420244118 192186132 /nfs/dbraw/zinc/18/61/32/192186132.db2.gz XOXRKYNBSIFJFO-ZCFIWIBFSA-N 0 3 227.699 0.510 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NC/C=C\CO ZINC000617688997 356279509 /nfs/dbraw/zinc/27/95/09/356279509.db2.gz BJFLRHVOZKCDRK-BYCRGOAPSA-N 0 3 226.320 0.526 20 0 BCADHN CCN1CCCC[C@H]1C(=O)NC/C=C/CO ZINC000617689616 356280418 /nfs/dbraw/zinc/28/04/18/356280418.db2.gz NAOSQTYCHQIUAC-MALLOTDXSA-N 0 3 226.320 0.526 20 0 BCADHN CCCN(CC(=O)NC)C[C@@H]1CCO[C@H]1C ZINC000639457712 356242776 /nfs/dbraw/zinc/24/27/76/356242776.db2.gz MLPLISYPTCPPSX-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CCCN(CC(=O)NC)C[C@H]1CCO[C@@H]1C ZINC000639457710 356242862 /nfs/dbraw/zinc/24/28/62/356242862.db2.gz MLPLISYPTCPPSX-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN NC(=O)N[C@H]1CCN(C[C@H](O)c2ccccc2)C1 ZINC000270706082 181261499 /nfs/dbraw/zinc/26/14/99/181261499.db2.gz YUUYZXHUKMPSDQ-RYUDHWBXSA-N 0 3 249.314 0.463 20 0 BCADHN CCN(CCOC)CCc1cnccn1 ZINC000639460380 356248195 /nfs/dbraw/zinc/24/81/95/356248195.db2.gz WCNRGIQRZHVNFP-UHFFFAOYSA-N 0 3 209.293 0.987 20 0 BCADHN CC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000617696342 356293088 /nfs/dbraw/zinc/29/30/88/356293088.db2.gz HHLDULGULAMALH-AWEZNQCLSA-N 0 3 248.326 0.889 20 0 BCADHN COCCN(C[C@@H]1CCO[C@@H]1C)[C@H](C)C(N)=O ZINC000639480515 356294071 /nfs/dbraw/zinc/29/40/71/356294071.db2.gz KMNZAHXODDVURJ-MXWKQRLJSA-N 0 3 244.335 0.234 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](N)CC)[C@@H]1CCCO1 ZINC000236942740 363461637 /nfs/dbraw/zinc/46/16/37/363461637.db2.gz NAHWCPIYKSOLOR-AEJSXWLSSA-N 0 3 214.309 0.798 20 0 BCADHN CCc1nnc(CN[C@H]2CN(C)C[C@H]2C)[nH]1 ZINC000333509870 356295759 /nfs/dbraw/zinc/29/57/59/356295759.db2.gz DXYAFQFNIGMFMT-BDAKNGLRSA-N 0 3 223.324 0.407 20 0 BCADHN C[C@H](O)CN(C)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000639500726 356327902 /nfs/dbraw/zinc/32/79/02/356327902.db2.gz UURDCVSNKBEOIZ-DLOVCJGASA-N 0 3 231.336 0.211 20 0 BCADHN CN(CCN1CCCC1=O)Cc1cc[nH]c(=O)c1 ZINC000639488465 356305543 /nfs/dbraw/zinc/30/55/43/356305543.db2.gz ILOFVLWZCAOWCZ-UHFFFAOYSA-N 0 3 249.314 0.841 20 0 BCADHN CN(CC(C)(C)O)[C@H]1CCN(C2CCC2)C1=O ZINC000639490882 356308555 /nfs/dbraw/zinc/30/85/55/356308555.db2.gz VUVNHBCOGDZAFW-NSHDSACASA-N 0 3 240.347 0.843 20 0 BCADHN CCCNC(=O)[C@H](C)N1CCNC[C@@](C)(F)C1 ZINC000420337556 192214742 /nfs/dbraw/zinc/21/47/42/192214742.db2.gz RBMMFGRANKGFAO-CMPLNLGQSA-N 0 3 245.342 0.535 20 0 BCADHN CC(C)OC(=O)CCN1CCNC[C@@](C)(F)C1 ZINC000420344909 192215983 /nfs/dbraw/zinc/21/59/83/192215983.db2.gz YTTUNVPFILAYCA-GFCCVEGCSA-N 0 3 246.326 0.962 20 0 BCADHN CO[C@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC000639511258 356345568 /nfs/dbraw/zinc/34/55/68/356345568.db2.gz OILHKSBZUDJCLV-UWVGGRQHSA-N 0 3 222.292 0.486 20 0 BCADHN C[C@H]1OCC[C@H]1CN(CC(N)=O)C(C)(C)C ZINC000639519080 356363382 /nfs/dbraw/zinc/36/33/82/356363382.db2.gz GHNZLXJBPBSMHF-ZJUUUORDSA-N 0 3 228.336 0.997 20 0 BCADHN O=C1CNCCN1[C@@H]1CCCN(CCCF)C1 ZINC000420311659 192211535 /nfs/dbraw/zinc/21/15/35/192211535.db2.gz RBTNFOJBCYZWGM-LLVKDONJSA-N 0 3 243.326 0.242 20 0 BCADHN CC[C@@H](O)CCCNC(=O)CN(C)C(C)C ZINC000352369207 356329929 /nfs/dbraw/zinc/32/99/29/356329929.db2.gz XNIYAOJMNFXTBM-LLVKDONJSA-N 0 3 230.352 0.994 20 0 BCADHN NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000123998186 181269773 /nfs/dbraw/zinc/26/97/73/181269773.db2.gz CNEYCBYOCXLTCS-LLVKDONJSA-N 0 3 219.288 0.779 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCNC(=O)C(C)C ZINC000040806762 358502751 /nfs/dbraw/zinc/50/27/51/358502751.db2.gz URZJKUJZQAULMV-SNVBAGLBSA-N 0 3 243.351 0.392 20 0 BCADHN CN(CCn1ccnc1)[C@@H]1CCCOC1 ZINC000352186227 134099419 /nfs/dbraw/zinc/09/94/19/134099419.db2.gz KBVDIKPZTLWYIR-LLVKDONJSA-N 0 3 209.293 0.994 20 0 BCADHN CCc1nnc(CN2CCN(CC)C[C@@H]2C)[nH]1 ZINC000352664482 356400241 /nfs/dbraw/zinc/40/02/41/356400241.db2.gz BWUXMJKOMLGNBH-JTQLQIEISA-N 0 3 237.351 0.893 20 0 BCADHN CCc1nc(CN2CCN(CC)C[C@@H]2C)n[nH]1 ZINC000352664482 356400245 /nfs/dbraw/zinc/40/02/45/356400245.db2.gz BWUXMJKOMLGNBH-JTQLQIEISA-N 0 3 237.351 0.893 20 0 BCADHN CCOC(=O)CN1CCNC[C@@](C)(F)C1 ZINC000420329611 192230410 /nfs/dbraw/zinc/23/04/10/192230410.db2.gz KCVHEOCQABHPRP-SNVBAGLBSA-N 0 3 218.272 0.183 20 0 BCADHN COC1CC(N(C)CCOCCO)C1 ZINC000352193325 134097869 /nfs/dbraw/zinc/09/78/69/134097869.db2.gz CEAOSCIQMRFRCE-UHFFFAOYSA-N 0 3 203.282 0.105 20 0 BCADHN CCN1CCN(CCCC(=O)OC)[C@H](C)C1 ZINC000352660084 356398537 /nfs/dbraw/zinc/39/85/37/356398537.db2.gz QIDTVDKVRSLRFV-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN O=C(CN1C[C@H]2CCC[C@@H](C1)N2)NCC1CC1 ZINC000420393087 192237078 /nfs/dbraw/zinc/23/70/78/192237078.db2.gz JMEOYLODLIMNCV-TXEJJXNPSA-N 0 3 237.347 0.339 20 0 BCADHN CNCCN(C)S(=O)(=O)c1ccsc1 ZINC000420441081 192243275 /nfs/dbraw/zinc/24/32/75/192243275.db2.gz VKWNXGQLIDXMNT-UHFFFAOYSA-N 0 3 234.346 0.588 20 0 BCADHN CCO[C@H]1CCCN(CCC(=O)NC(N)=O)C1 ZINC000101586923 356422378 /nfs/dbraw/zinc/42/23/78/356422378.db2.gz WBTUEODHJNETCG-VIFPVBQESA-N 0 3 243.307 0.072 20 0 BCADHN 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CCN1CCCC[C@@H]1CNC(=O)[C@@H](O)C(C)C ZINC000352710983 356407867 /nfs/dbraw/zinc/40/78/67/356407867.db2.gz LSOOBQWBXOFTQO-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CC1(C)CO[C@@H](CN2CC[C@H](NC(N)=O)C2)C1 ZINC000639555323 356458482 /nfs/dbraw/zinc/45/84/82/356458482.db2.gz XSPSVWXSFOJRJL-VHSXEESVSA-N 0 3 241.335 0.544 20 0 BCADHN C[C@@H]1CN([C@@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC000639557569 356462380 /nfs/dbraw/zinc/46/23/80/356462380.db2.gz KAKGQEFDWWBEFY-JLLWLGSASA-N 0 3 238.331 0.452 20 0 BCADHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCn1ccnc1 ZINC000368971880 181276290 /nfs/dbraw/zinc/27/62/90/181276290.db2.gz DNKIQQMOUSIEBL-TUAOUCFPSA-N 0 3 248.330 0.469 20 0 BCADHN CCc1nc(CNC(=O)C2(N)CC2)cs1 ZINC000237054138 363464921 /nfs/dbraw/zinc/46/49/21/363464921.db2.gz CTNRLEYCEOVUJK-UHFFFAOYSA-N 0 3 225.317 0.813 20 0 BCADHN CCc1cnc(CCNC(=O)CNC)s1 ZINC000237043058 363464966 /nfs/dbraw/zinc/46/49/66/363464966.db2.gz XTWUJXJNTHBKQG-UHFFFAOYSA-N 0 3 227.333 0.584 20 0 BCADHN COC1CC(N(C)CCN2CCCC2=O)C1 ZINC000352221276 134108802 /nfs/dbraw/zinc/10/88/02/134108802.db2.gz LQBRSTBVSBBXBG-UHFFFAOYSA-N 0 3 226.320 0.718 20 0 BCADHN CCN(C[C@H](C)O)[C@H](C)C(=O)NC(C)(C)C ZINC000352220960 134109110 /nfs/dbraw/zinc/10/91/10/134109110.db2.gz KMHSGFGTDFCYEL-VHSXEESVSA-N 0 3 230.352 0.992 20 0 BCADHN C[C@@H]1[C@H](C)N(CCc2cncn2C)CCN1C ZINC000639559020 356465093 /nfs/dbraw/zinc/46/50/93/356465093.db2.gz NMGDEYGZRHNTSX-NEPJUHHUSA-N 0 3 236.363 0.987 20 0 BCADHN COCC1(N(C)C[C@H]2CCc3ncnn32)CC1 ZINC000639552122 356443663 /nfs/dbraw/zinc/44/36/63/356443663.db2.gz RMMSLBCMWZYEGY-SNVBAGLBSA-N 0 3 236.319 0.876 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCC(NC(N)=O)CC2)O1 ZINC000190654255 356448064 /nfs/dbraw/zinc/44/80/64/356448064.db2.gz ZVQBKBKPUOULAD-MWLCHTKSSA-N 0 3 241.335 0.687 20 0 BCADHN Cc1nnc(N(C)C[C@@H]2CCCN2C)o1 ZINC000420637026 192252788 /nfs/dbraw/zinc/25/27/88/192252788.db2.gz OGCBQTVHLSETBX-VIFPVBQESA-N 0 3 210.281 0.908 20 0 BCADHN CCOCCN(C)C[C@@H]1CCc2ncnn21 ZINC000639559791 356470611 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OONGQIROQCBKPD-LADJIXMOSA-N 0 3 224.304 0.088 20 0 BCADHN Cc1cccc(CN2C[C@H](O)C[C@@]2(C)CO)n1 ZINC000639850829 356854436 /nfs/dbraw/zinc/85/44/36/356854436.db2.gz XHYMSORUQWEOAO-OLZOCXBDSA-N 0 3 236.315 0.708 20 0 BCADHN Cc1ccc(CN2C[C@H](O)C[C@]2(C)CO)nc1 ZINC000639853780 356858627 /nfs/dbraw/zinc/85/86/27/356858627.db2.gz MGZRDCOWANNNFL-CHWSQXEVSA-N 0 3 236.315 0.708 20 0 BCADHN CNC(=O)CN1CCCC[C@@H]1C[C@H](C)O ZINC000163107817 202189173 /nfs/dbraw/zinc/18/91/73/202189173.db2.gz MOHGJAFBMDPGTE-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN COC(=O)C1(CN[C@H](C(N)=O)C(C)(C)C)CC1 ZINC000450561718 202196729 /nfs/dbraw/zinc/19/67/29/202196729.db2.gz RVIKZAAPXKZNRL-MRVPVSSYSA-N 0 3 242.319 0.429 20 0 BCADHN C[C@H](C[S@](C)=O)NCc1cn[nH]c1 ZINC000379406586 356913426 /nfs/dbraw/zinc/91/34/26/356913426.db2.gz WRIKLJVPZCOHNG-UHLUBPPHSA-N 0 3 201.295 0.266 20 0 BCADHN CC(C)NCC(=O)NCCCOC(C)C ZINC000040420027 356936283 /nfs/dbraw/zinc/93/62/83/356936283.db2.gz QLVQIQDQVOWXOW-UHFFFAOYSA-N 0 3 216.325 0.916 20 0 BCADHN CC(C)CN1CCO[C@H](CN(C)C)C1 ZINC000361982511 356939995 /nfs/dbraw/zinc/93/99/95/356939995.db2.gz USYCICGVDKSLKF-LLVKDONJSA-N 0 3 200.326 0.905 20 0 BCADHN CCN1CCC[C@H](NC(=O)N(C)C[C@H](C)O)C1 ZINC000361992981 356940695 /nfs/dbraw/zinc/94/06/95/356940695.db2.gz MZWXIZYCKDRLBV-QWRGUYRKSA-N 0 3 243.351 0.493 20 0 BCADHN C[C@H](N)C(=O)N(C)CCc1ccccn1 ZINC000019844218 356901583 /nfs/dbraw/zinc/90/15/83/356901583.db2.gz ODWKKTUXLWFGQD-VIFPVBQESA-N 0 3 207.277 0.430 20 0 BCADHN C[C@@H](N)C(=O)N(C)CCc1ccccn1 ZINC000019844217 356901585 /nfs/dbraw/zinc/90/15/85/356901585.db2.gz ODWKKTUXLWFGQD-SECBINFHSA-N 0 3 207.277 0.430 20 0 BCADHN COC(=O)CCN1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000160444118 356979264 /nfs/dbraw/zinc/97/92/64/356979264.db2.gz WOXDGAFTXHBROG-ZJUUUORDSA-N 0 3 240.303 0.150 20 0 BCADHN CC[C@@H](O)CN1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000369299674 356983811 /nfs/dbraw/zinc/98/38/11/356983811.db2.gz VEYZAGKMTSGNTC-IJLUTSLNSA-N 0 3 229.320 0.637 20 0 BCADHN CO[C@H](CN1CCN(C)C[C@H]1CO)C1CCC1 ZINC000639866771 356984779 /nfs/dbraw/zinc/98/47/79/356984779.db2.gz IDAVEYSKPCNBKC-QWHCGFSZSA-N 0 3 242.363 0.410 20 0 BCADHN COC[C@H]1CCN(Cc2cncnc2)C1 ZINC000353612497 538752824 /nfs/dbraw/zinc/75/28/24/538752824.db2.gz JOEUJSBNKHLNJD-JTQLQIEISA-N 0 3 207.277 0.945 20 0 BCADHN CCOCCCN1CCN(C)C[C@H]1CO ZINC000639866758 356986000 /nfs/dbraw/zinc/98/60/00/356986000.db2.gz ADSJCFBCUYIMIP-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN CN1CCN(CCC[C@H]2CCOC2)[C@H](CO)C1 ZINC000639867172 356989428 /nfs/dbraw/zinc/98/94/28/356989428.db2.gz KVMRATHHFANKPC-STQMWFEESA-N 0 3 242.363 0.411 20 0 BCADHN CN(C)C1(CNC(=O)CCC(C)(C)O)CC1 ZINC000582289713 357022958 /nfs/dbraw/zinc/02/29/58/357022958.db2.gz JKZBTWGHUNAXPE-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN CN1CCN(CCCOC(C)(C)C)[C@@H](CO)C1 ZINC000639872365 357042632 /nfs/dbraw/zinc/04/26/32/357042632.db2.gz VUGXOQVSVUEOMV-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN CN1CCN(CCN2CCCCC2)[C@@H](CO)C1 ZINC000639872514 357043667 /nfs/dbraw/zinc/04/36/67/357043667.db2.gz QYUQYACYROWDAX-CYBMUJFWSA-N 0 3 241.379 0.081 20 0 BCADHN CC(=O)N1CC(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000582311570 357051577 /nfs/dbraw/zinc/05/15/77/357051577.db2.gz PXEGNHVHSJATNX-UTUOFQBUSA-N 0 3 238.331 0.620 20 0 BCADHN Cc1nc(CN[C@H]2C[C@@H](O)C2(C)C)n[nH]1 ZINC000389839201 357053081 /nfs/dbraw/zinc/05/30/81/357053081.db2.gz HMWFIWASBIHCOZ-JGVFFNPUSA-N 0 3 210.281 0.362 20 0 BCADHN CN1CCN(C[C@@H](O)C(C)(C)C)[C@@H](CO)C1 ZINC000639867857 357001112 /nfs/dbraw/zinc/00/11/12/357001112.db2.gz PHFYHVKNMXFTRB-GHMZBOCLSA-N 0 3 230.352 0.002 20 0 BCADHN C[C@H]1CCNC[C@@H]1NS(=O)(=O)CCCF ZINC000193402218 357017058 /nfs/dbraw/zinc/01/70/58/357017058.db2.gz SUKFPDVFHBLMRJ-IUCAKERBSA-N 0 3 238.328 0.263 20 0 BCADHN CCN(CCO)CCNC(=O)c1cocc1C ZINC000626486162 357057527 /nfs/dbraw/zinc/05/75/27/357057527.db2.gz HHVQXTQTVSVOJJ-UHFFFAOYSA-N 0 3 240.303 0.632 20 0 BCADHN O=C(NCCc1cnccn1)[C@H]1CCCCN1 ZINC000390234332 357086652 /nfs/dbraw/zinc/08/66/52/357086652.db2.gz SPOBCXMZBAPDCF-LLVKDONJSA-N 0 3 234.303 0.277 20 0 BCADHN CO[C@@](C)(CNCc1cnnn1C)C1CC1 ZINC000390684978 357114462 /nfs/dbraw/zinc/11/44/62/357114462.db2.gz ZNSIIWYKTGLJHJ-NSHDSACASA-N 0 3 224.308 0.720 20 0 BCADHN COCCNCC(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000582423281 357141978 /nfs/dbraw/zinc/14/19/78/357141978.db2.gz PLCUCGMGMDPMSK-UWVGGRQHSA-N 0 3 244.335 0.295 20 0 BCADHN Cc1nc([C@H](C)N[C@H]2C[C@H](O)C2(C)C)n[nH]1 ZINC000392396070 357150434 /nfs/dbraw/zinc/15/04/34/357150434.db2.gz ZJLSIFDULVRMTP-XVYDVKMFSA-N 0 3 224.308 0.923 20 0 BCADHN CCN1CCN(CCNC(=O)C2(C)CC2)CC1 ZINC000121761870 357150847 /nfs/dbraw/zinc/15/08/47/357150847.db2.gz QBHFLFIDAPLMLQ-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN CC1(C)CCCN1c1nc(N)nc(N)n1 ZINC000623936333 357151891 /nfs/dbraw/zinc/15/18/91/357151891.db2.gz RJAWPLZIQHEBEK-UHFFFAOYSA-N 0 3 208.269 0.076 20 0 BCADHN CN(C)CCN(C)C(=O)NCCC1CC1 ZINC000356094848 538806483 /nfs/dbraw/zinc/80/64/83/538806483.db2.gz RAZNYLWLWVBBBQ-UHFFFAOYSA-N 0 3 213.325 0.990 20 0 BCADHN CN(CC(F)(F)F)C(=O)C[C@H]1CNCCO1 ZINC000085619460 357123827 /nfs/dbraw/zinc/12/38/27/357123827.db2.gz WIPVUIQXBUTEKN-ZETCQYMHSA-N 0 3 240.225 0.386 20 0 BCADHN CC[C@@H]1C[C@@H](NC2CN(c3ccncn3)C2)CO1 ZINC000631257125 357193833 /nfs/dbraw/zinc/19/38/33/357193833.db2.gz WCAJVQUWBQRIPX-ZYHUDNBSSA-N 0 3 248.330 0.822 20 0 BCADHN CCN1CCCN([C@H](C)c2nncn2C)CC1 ZINC000376503063 357206778 /nfs/dbraw/zinc/20/67/78/357206778.db2.gz RUKFFNYCGJKAAQ-LLVKDONJSA-N 0 3 237.351 0.904 20 0 BCADHN CC[C@@H](O)CN1CCSC[C@@H]1CC(=O)OC ZINC000123274164 357220239 /nfs/dbraw/zinc/22/02/39/357220239.db2.gz WXCJRCKASRNMKQ-VHSXEESVSA-N 0 3 247.360 0.738 20 0 BCADHN CCN1CCCN(C(=O)COCC2CC2)CC1 ZINC000377376230 357231762 /nfs/dbraw/zinc/23/17/62/357231762.db2.gz ZFWZYJVNSUIVJC-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN COC(=O)CCN1CCCC[C@H]1CC(=O)OC ZINC000050053301 357282395 /nfs/dbraw/zinc/28/23/95/357282395.db2.gz GAHUYNRDBLWUKC-JTQLQIEISA-N 0 3 243.303 0.967 20 0 BCADHN CN[C@@H](C)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000393638212 357291771 /nfs/dbraw/zinc/29/17/71/357291771.db2.gz PQDZSNQJXJWVMA-BDAKNGLRSA-N 0 3 216.325 0.508 20 0 BCADHN O=C(CNC1(C2CC2)CC1)N1CCOCC1 ZINC000393761882 357297576 /nfs/dbraw/zinc/29/75/76/357297576.db2.gz XVWSVVTWDIPBGI-UHFFFAOYSA-N 0 3 224.304 0.377 20 0 BCADHN CCOCCOC[C@H](O)CNCC1(F)CC1 ZINC000393781101 357298585 /nfs/dbraw/zinc/29/85/85/357298585.db2.gz RTKBVXAOEWGALO-SNVBAGLBSA-N 0 3 235.299 0.492 20 0 BCADHN NC(=O)[C@H]1C[C@H](NCc2cn3cccnc3n2)C1 ZINC000628426974 357257711 /nfs/dbraw/zinc/25/77/11/357257711.db2.gz XXUHYXCVLXHBBN-KYZUINATSA-N 0 3 245.286 0.083 20 0 BCADHN NC(=O)[C@H]1C[C@H](NCc2cnc(C3CC3)o2)C1 ZINC000628426860 357258037 /nfs/dbraw/zinc/25/80/37/357258037.db2.gz QQZPMISPZHJUBG-KYZUINATSA-N 0 3 235.287 0.906 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000040457693 357274345 /nfs/dbraw/zinc/27/43/45/357274345.db2.gz CININPICVKXOIB-AEJSXWLSSA-N 0 3 212.293 0.504 20 0 BCADHN O=C(CNC[C@H]1CCCO1)N1CCCCC1 ZINC000020055698 357275394 /nfs/dbraw/zinc/27/53/94/357275394.db2.gz PHARONPFKJXJPO-LLVKDONJSA-N 0 3 226.320 0.768 20 0 BCADHN C[C@H](CC(N)=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000582725640 357373284 /nfs/dbraw/zinc/37/32/84/357373284.db2.gz UHAUPARETQGGGR-BDAKNGLRSA-N 0 3 241.335 0.239 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000582725641 357373297 /nfs/dbraw/zinc/37/32/97/357373297.db2.gz UHAUPARETQGGGR-DTWKUNHWSA-N 0 3 241.335 0.239 20 0 BCADHN Cc1cc(CNC(=O)COC2CNC2)cc(C)n1 ZINC000582485364 357317812 /nfs/dbraw/zinc/31/78/12/357317812.db2.gz INIRRQWOJSLTOC-UHFFFAOYSA-N 0 3 249.314 0.303 20 0 BCADHN CNC(=O)CCCN(CCOC)[C@H]1CCOC1 ZINC000582494787 357325463 /nfs/dbraw/zinc/32/54/63/357325463.db2.gz IYIWICAZUUBTFZ-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CCO[C@@H]1C[C@H](NC(=O)CNC2CC2)[C@@H]1OC ZINC000582545230 357330929 /nfs/dbraw/zinc/33/09/29/357330929.db2.gz UNZHYVRPROQWPC-UMNHJUIQSA-N 0 3 242.319 0.047 20 0 BCADHN CCO[C@@H]1C[C@@H](NC(=O)CNC2CC2)[C@H]1OC ZINC000582545227 357331151 /nfs/dbraw/zinc/33/11/51/357331151.db2.gz UNZHYVRPROQWPC-CKYFFXLPSA-N 0 3 242.319 0.047 20 0 BCADHN CC[C@H](C)N1CCN(Cc2nncn2C)CC1 ZINC000582528273 357335427 /nfs/dbraw/zinc/33/54/27/357335427.db2.gz UYGVVIBSVGFYLT-NSHDSACASA-N 0 3 237.351 0.731 20 0 BCADHN Cc1nccc(CCC(=O)N2CCCNCC2)n1 ZINC000582606177 357349354 /nfs/dbraw/zinc/34/93/54/357349354.db2.gz CLNAJGGSIRYQOI-UHFFFAOYSA-N 0 3 248.330 0.540 20 0 BCADHN CN(C)C(=O)CCCN1CCCO[C@H](CF)C1 ZINC000582674445 357360962 /nfs/dbraw/zinc/36/09/62/357360962.db2.gz KGVFGQBTDWGZRX-LLVKDONJSA-N 0 3 246.326 0.915 20 0 BCADHN Cc1ncc(CN[C@@H](C)C[S@@](C)=O)n1C ZINC000582675811 357361657 /nfs/dbraw/zinc/36/16/57/357361657.db2.gz ACZYXYINNXXVKJ-VXJOIVPMSA-N 0 3 229.349 0.585 20 0 BCADHN COCc1ccc(CNC[C@@](C)(O)COC)o1 ZINC000394548268 357365374 /nfs/dbraw/zinc/36/53/74/357365374.db2.gz GCTDKLZCGONYGL-GFCCVEGCSA-N 0 3 243.303 0.913 20 0 BCADHN COCCCCNC(=O)[C@H](C)NC1CC1 ZINC000394867468 357384753 /nfs/dbraw/zinc/38/47/53/357384753.db2.gz KALRVXGJQFORMZ-VIFPVBQESA-N 0 3 214.309 0.670 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@@]1(C)CCOC1 ZINC000394988518 357406623 /nfs/dbraw/zinc/40/66/23/357406623.db2.gz CMDYLISLLVMZHJ-KWQFWETISA-N 0 3 212.293 0.422 20 0 BCADHN CC(C)[C@@H](O)CNC[C@@H](C)S(C)(=O)=O ZINC000582846004 357409489 /nfs/dbraw/zinc/40/94/89/357409489.db2.gz TVCXWWBNJJZBRN-BDAKNGLRSA-N 0 3 223.338 0.026 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC[C@H]1CCCOC1 ZINC000395074700 357411032 /nfs/dbraw/zinc/41/10/32/357411032.db2.gz NUNYEINZWUCZSQ-VHSXEESVSA-N 0 3 226.320 0.670 20 0 BCADHN CNC(=O)CCCC(=O)N1CCN[C@H](C)[C@H]1C ZINC000582846329 357412156 /nfs/dbraw/zinc/41/21/56/357412156.db2.gz FVDFBCSDRWXYDW-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN C[C@H](NC(=O)CN1CC[C@@H](C)C1)[C@@H]1CCOC1 ZINC000582853559 357420526 /nfs/dbraw/zinc/42/05/26/357420526.db2.gz AWJFLGWCZGWLEN-GRYCIOLGSA-N 0 3 240.347 0.869 20 0 BCADHN COC(=O)CCCCNC(=O)C1(N)CCC1 ZINC000582962918 357439238 /nfs/dbraw/zinc/43/92/38/357439238.db2.gz YLQJZTLOICTFDG-UHFFFAOYSA-N 0 3 228.292 0.327 20 0 BCADHN Cc1cc(CNC(=O)[C@H](C)NC2CC2)on1 ZINC000394817853 357380998 /nfs/dbraw/zinc/38/09/98/357380998.db2.gz KYYAGDSCHVJVMT-QMMMGPOBSA-N 0 3 223.276 0.740 20 0 BCADHN Cc1cc(C)c(CNCCC(N)=O)cn1 ZINC000397047441 357499382 /nfs/dbraw/zinc/49/93/82/357499382.db2.gz ZOSUITNARSLXPP-UHFFFAOYSA-N 0 3 207.277 0.663 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]21 ZINC000583031063 357463071 /nfs/dbraw/zinc/46/30/71/357463071.db2.gz WTSZWYAPILIOSR-MNOVXSKESA-N 0 3 234.303 0.046 20 0 BCADHN CC1(C)COCCN1CC[C@@H]1CCNC1=O ZINC000583031791 357464322 /nfs/dbraw/zinc/46/43/22/357464322.db2.gz CSLXWBZKMOISRR-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN CC1(C)C[C@H](NCC2(S(C)(=O)=O)CC2)CO1 ZINC000396847755 357485550 /nfs/dbraw/zinc/48/55/50/357485550.db2.gz HZWFIELJSZJUMI-VIFPVBQESA-N 0 3 247.360 0.721 20 0 BCADHN COCCN(C)[C@H]1CCC(=O)N(C)C1 ZINC000583121852 357489656 /nfs/dbraw/zinc/48/96/56/357489656.db2.gz CGJMZGRABFUNOZ-VIFPVBQESA-N 0 3 200.282 0.185 20 0 BCADHN C[C@@H](O)C[C@H](C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188611123 357567760 /nfs/dbraw/zinc/56/77/60/357567760.db2.gz CXDQZQNIPIUSKY-QCLAVDOMSA-N 0 3 232.299 0.210 20 0 BCADHN O=C(Cc1cccnc1)N1CCN2CCC1CC2 ZINC000188617418 357568162 /nfs/dbraw/zinc/56/81/62/357568162.db2.gz JWJKSZAHYYGVTH-UHFFFAOYSA-N 0 3 245.326 0.931 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188611165 357568215 /nfs/dbraw/zinc/56/82/15/357568215.db2.gz CXDQZQNIPIUSKY-AATLWQCWSA-N 0 3 232.299 0.210 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188654865 357570530 /nfs/dbraw/zinc/57/05/30/357570530.db2.gz NCOORKJAFZCBJE-OUAUKWLOSA-N 0 3 244.310 0.571 20 0 BCADHN COCCN(CCO)C[C@H](O)CC1CCCC1 ZINC000188642527 357570615 /nfs/dbraw/zinc/57/06/15/357570615.db2.gz RLMOPQCGACNQFM-CYBMUJFWSA-N 0 3 245.363 0.868 20 0 BCADHN O=C(NCCN1CCCCC1)[C@H]1C[C@H](F)CN1 ZINC000188700620 357572631 /nfs/dbraw/zinc/57/26/31/357572631.db2.gz UHPXSGQLXMWQRT-WDEREUQCSA-N 0 3 243.326 0.289 20 0 BCADHN [NH3+]CC1(CC(=O)Nc2ccncc2[O-])CC1 ZINC000583202203 357517995 /nfs/dbraw/zinc/51/79/95/357517995.db2.gz SSHHGZOXARWQMN-UHFFFAOYSA-N 0 3 221.260 0.277 20 0 BCADHN C[C@@]1(C(=O)NCc2ncccc2[O-])CC[NH2+]C1 ZINC000583202423 357518115 /nfs/dbraw/zinc/51/81/15/357518115.db2.gz XCGIIULSTIWULU-GFCCVEGCSA-N 0 3 235.287 0.403 20 0 BCADHN COC(C)(C)CCN1C[C@H](CO)OC[C@@H]1C ZINC000230416061 357523373 /nfs/dbraw/zinc/52/33/73/357523373.db2.gz VDBXSOHBOMORJA-WDEREUQCSA-N 0 3 231.336 0.883 20 0 BCADHN Cc1nn(C)cc1CNCCc1ccn(C)n1 ZINC000230880192 357575690 /nfs/dbraw/zinc/57/56/90/357575690.db2.gz PFNOJALZYFHFCG-UHFFFAOYSA-N 0 3 233.319 0.794 20 0 BCADHN C[C@@H]1CC[C@@H](CN(C)CC(C)(CO)CO)O1 ZINC000188592166 357541407 /nfs/dbraw/zinc/54/14/07/357541407.db2.gz CJIZIBPKSRCQTP-MNOVXSKESA-N 0 3 231.336 0.477 20 0 BCADHN C[C@@H]1C[C@@H](CN[C@@]2(C(N)=O)CCOC2)CCO1 ZINC000583211472 357546311 /nfs/dbraw/zinc/54/63/11/357546311.db2.gz ACCSXIHDYXPVDU-SCVCMEIPSA-N 0 3 242.319 0.036 20 0 BCADHN CCCCOCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188409929 357551879 /nfs/dbraw/zinc/55/18/79/357551879.db2.gz QJDQYAUFNIZOIP-VHSXEESVSA-N 0 3 232.299 0.619 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188739003 357566950 /nfs/dbraw/zinc/56/69/50/357566950.db2.gz KGBQYCMPHWLIKQ-HBNTYKKESA-N 0 3 243.326 0.287 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000231855310 357627532 /nfs/dbraw/zinc/62/75/32/357627532.db2.gz NHYAPMKRFUEZSG-ZJUUUORDSA-N 0 3 243.351 0.343 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@@H](C)C(=O)N(C)CC ZINC000231855327 357627914 /nfs/dbraw/zinc/62/79/14/357627914.db2.gz KABGKGCKAZSFSG-VHSXEESVSA-N 0 3 243.351 0.487 20 0 BCADHN O=C(NCc1cccc(O)c1)[C@H]1C[C@H](F)CN1 ZINC000188862430 357593534 /nfs/dbraw/zinc/59/35/34/357593534.db2.gz BOIQHMPJKPNTAL-GXSJLCMTSA-N 0 3 238.262 0.708 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)CCO)N(C)C ZINC000158848111 538869602 /nfs/dbraw/zinc/86/96/02/538869602.db2.gz VVFYKEYPBQYKFQ-VHSXEESVSA-N 0 3 216.325 0.461 20 0 BCADHN Cn1nncc1CN[C@@H](CCO)C(C)(C)C ZINC000231074547 357596996 /nfs/dbraw/zinc/59/69/96/357596996.db2.gz SUHJTSILVSJDHC-JTQLQIEISA-N 0 3 226.324 0.702 20 0 BCADHN CCCCNC(=O)CN[C@H](CCO)C(C)C ZINC000231040794 357597449 /nfs/dbraw/zinc/59/74/49/357597449.db2.gz ZLMGEJCBFNQGEJ-LLVKDONJSA-N 0 3 230.352 0.899 20 0 BCADHN COC[C@@H](CCO)NCc1ccc(OC)nc1 ZINC000232153771 357652796 /nfs/dbraw/zinc/65/27/96/357652796.db2.gz RHDBPJCHIGQEMS-LLVKDONJSA-N 0 3 240.303 0.577 20 0 BCADHN COC[C@H](O)CCNCc1ccc(OC)nc1 ZINC000232164235 357652871 /nfs/dbraw/zinc/65/28/71/357652871.db2.gz NIZSXBOZZBDWME-LLVKDONJSA-N 0 3 240.303 0.577 20 0 BCADHN CC(C)[C@H](O)CN1CCN(C)C[C@@H]1C ZINC000232716007 357679379 /nfs/dbraw/zinc/67/93/79/357679379.db2.gz JHHRYYGFKOONNB-WDEREUQCSA-N 0 3 200.326 0.639 20 0 BCADHN CC(C)(O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000232560441 357671181 /nfs/dbraw/zinc/67/11/81/357671181.db2.gz MXEWMAFFKSTPLO-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)CC(=O)N1CCN(CCN(C)C)CC1 ZINC000055197134 363586814 /nfs/dbraw/zinc/58/68/14/363586814.db2.gz DVYZHQVMPXJCCJ-UHFFFAOYSA-N 0 3 241.379 0.738 20 0 BCADHN CCN(CC)CCN1CCCNC(=O)[C@@H]1C ZINC000189335105 357632318 /nfs/dbraw/zinc/63/23/18/357632318.db2.gz JPCZIWBKFALCPA-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN CNC(=O)CCN(C)C[C@@H]1CC[C@H](C)O1 ZINC000190508905 357714026 /nfs/dbraw/zinc/71/40/26/357714026.db2.gz WBHQFMJOUFFWNQ-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN O=C1CCN(C[C@@H](O)C2CCCCC2)CCN1 ZINC000190513714 357714353 /nfs/dbraw/zinc/71/43/53/357714353.db2.gz JEVLDBKUSYLXJE-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN CCN(CC)CC(=O)NCc1cnn(C)c1 ZINC000063804659 357718056 /nfs/dbraw/zinc/71/80/56/357718056.db2.gz ZMVJRKUFHGQSAC-UHFFFAOYSA-N 0 3 224.308 0.378 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1C[C@@H](OC)C1(C)C ZINC000233446011 357723703 /nfs/dbraw/zinc/72/37/03/357723703.db2.gz JIFBDLFPBLRVJE-NXEZZACHSA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@@H](C)NC(=O)CN1C[C@@H](C)[C@H](CO)C1 ZINC000190844296 357726882 /nfs/dbraw/zinc/72/68/82/357726882.db2.gz LAPROKAVHYXWOP-MXWKQRLJSA-N 0 3 228.336 0.461 20 0 BCADHN CCN(CC)C(=O)CN[C@](C)(CCO)COC ZINC000132500629 325221449 /nfs/dbraw/zinc/22/14/49/325221449.db2.gz VEQZOWCVQIGNDP-GFCCVEGCSA-N 0 3 246.351 0.232 20 0 BCADHN CC[C@H](C)CC(=O)NCCN(CC)CCO ZINC000190328883 357700970 /nfs/dbraw/zinc/70/09/70/357700970.db2.gz VBKDIHRKZZUVFY-NSHDSACASA-N 0 3 230.352 0.853 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)NCCN(C)C)C1 ZINC000190360991 357702953 /nfs/dbraw/zinc/70/29/53/357702953.db2.gz CGRBRTPFYQTJPP-VHSXEESVSA-N 0 3 229.324 0.415 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190917876 357732922 /nfs/dbraw/zinc/73/29/22/357732922.db2.gz JWHIGIPSQXYIBR-UTUOFQBUSA-N 0 3 242.363 0.804 20 0 BCADHN CCOC[C@@H](NC(=O)CNCCOC)C(C)C ZINC000233795866 357749476 /nfs/dbraw/zinc/74/94/76/357749476.db2.gz WNWBWUTWKWHODH-LLVKDONJSA-N 0 3 246.351 0.400 20 0 BCADHN COCCCCN1CCCN(C)C(=O)C1 ZINC000191148199 357753785 /nfs/dbraw/zinc/75/37/85/357753785.db2.gz RIPGQLDHKYRTKB-UHFFFAOYSA-N 0 3 214.309 0.577 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CCCO[C@@H]1C ZINC000191721457 357791448 /nfs/dbraw/zinc/79/14/48/357791448.db2.gz LXAIQBCHERNMMI-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CNC(=O)[C@@H](C)NC(=O)[C@@H]1NCCCC1(C)C ZINC000234393294 357797194 /nfs/dbraw/zinc/79/71/94/357797194.db2.gz UTHGVEIYIWNQPV-BDAKNGLRSA-N 0 3 241.335 0.015 20 0 BCADHN COCCCNC(=O)CN[C@]1(C)CCO[C@@H]1C ZINC000234634375 357821698 /nfs/dbraw/zinc/82/16/98/357821698.db2.gz GOJVSYXPBKGERN-ZYHUDNBSSA-N 0 3 244.335 0.296 20 0 BCADHN CC(C)C[C@@]1(CO)CCCN1CC(=O)N(C)C ZINC000191636338 357780129 /nfs/dbraw/zinc/78/01/29/357780129.db2.gz NSSUDVVNLYUCPG-CYBMUJFWSA-N 0 3 242.363 0.948 20 0 BCADHN CCC[C@H](CCO)N[C@H](C)CS(C)(=O)=O ZINC000631667674 357790553 /nfs/dbraw/zinc/79/05/53/357790553.db2.gz FQKLFRKJSMXFET-NXEZZACHSA-N 0 3 237.365 0.560 20 0 BCADHN C[C@@H]1CCC[C@H](CNC(=O)C(=O)NCCN)C1 ZINC000235289463 357851534 /nfs/dbraw/zinc/85/15/34/357851534.db2.gz AJBMMHUSZHWXEX-ZJUUUORDSA-N 0 3 241.335 0.004 20 0 BCADHN COCCNCC(=O)NCCc1ccsc1 ZINC000086158154 357861996 /nfs/dbraw/zinc/86/19/96/357861996.db2.gz NBCCRBKKDBDXOR-UHFFFAOYSA-N 0 3 242.344 0.643 20 0 BCADHN Cc1nn(C)c(C)c1CNC(=O)C1(N)CC1 ZINC000086109764 357853645 /nfs/dbraw/zinc/85/36/45/357853645.db2.gz VGEPUFYJQVYCGG-UHFFFAOYSA-N 0 3 222.292 0.144 20 0 BCADHN CC(C)[C@H](CO)NCC(=O)NC1CCCC1 ZINC000086124404 357854617 /nfs/dbraw/zinc/85/46/17/357854617.db2.gz NEBZJXXBLNTVBG-NSHDSACASA-N 0 3 228.336 0.652 20 0 BCADHN COC[C@@H](C)OC[C@@H](O)CN1CCSCC1 ZINC000234758524 357827163 /nfs/dbraw/zinc/82/71/63/357827163.db2.gz DQNHFEHPHBXKIR-MNOVXSKESA-N 0 3 249.376 0.448 20 0 BCADHN COCCNCC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000086157940 357862624 /nfs/dbraw/zinc/86/26/24/357862624.db2.gz MPXUPADPOOXHDP-MNOVXSKESA-N 0 3 228.336 0.917 20 0 BCADHN Cc1noc([C@@H]2CCCN(C[C@@H](C)O)C2)n1 ZINC000192972316 357862408 /nfs/dbraw/zinc/86/24/08/357862408.db2.gz JGNGMCKWJNVKHD-PSASIEDQSA-N 0 3 225.292 0.938 20 0 BCADHN COCCOC[C@H](O)CN1CCSC[C@@H]1C ZINC000234879163 357839219 /nfs/dbraw/zinc/83/92/19/357839219.db2.gz ZDUDGEOPDHQQBN-WDEREUQCSA-N 0 3 249.376 0.448 20 0 BCADHN O=C1NC(=O)[C@]2(CCCN(C3CCCC3)C2)N1 ZINC000192634340 357842006 /nfs/dbraw/zinc/84/20/06/357842006.db2.gz DUOJYXLXOOLNNZ-GFCCVEGCSA-N 0 3 237.303 0.603 20 0 BCADHN CCCC[N@@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000192643770 357842175 /nfs/dbraw/zinc/84/21/75/357842175.db2.gz BAGNYGOFDCYZHM-NSHDSACASA-N 0 3 225.292 0.461 20 0 BCADHN CCCC[N@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000192643770 357842178 /nfs/dbraw/zinc/84/21/78/357842178.db2.gz BAGNYGOFDCYZHM-NSHDSACASA-N 0 3 225.292 0.461 20 0 BCADHN CC(C)CC[N@@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000192660156 357842736 /nfs/dbraw/zinc/84/27/36/357842736.db2.gz VYYWYLRQCMSQGX-LBPRGKRZSA-N 0 3 239.319 0.707 20 0 BCADHN CC(C)CC[N@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000192660156 357842740 /nfs/dbraw/zinc/84/27/40/357842740.db2.gz VYYWYLRQCMSQGX-LBPRGKRZSA-N 0 3 239.319 0.707 20 0 BCADHN C[C@@H]1CN(CCN2CCCO[C@H](C)C2)CCO1 ZINC000192731417 357848856 /nfs/dbraw/zinc/84/88/56/357848856.db2.gz SBYYJXMYAFOGOP-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@H]1OCC[C@@]1(C)NCC(=O)N(C)C ZINC000235436618 357868692 /nfs/dbraw/zinc/86/86/92/357868692.db2.gz MJVQADKTKWXWDR-WCBMZHEXSA-N 0 3 200.282 0.232 20 0 BCADHN CC(C)C(=O)NCCNC(=O)[C@H](N)C1CCC1 ZINC000399102161 357896085 /nfs/dbraw/zinc/89/60/85/357896085.db2.gz WCUKDEXBQZPYLD-SNVBAGLBSA-N 0 3 241.335 0.002 20 0 BCADHN C[C@@H](C[S@@](C)=O)N(C)C(=O)[C@H](C)NC1CC1 ZINC000399038145 357894964 /nfs/dbraw/zinc/89/49/64/357894964.db2.gz SRECWSFVWBANCK-OMQMVUIESA-N 0 3 246.376 0.352 20 0 BCADHN CCN(C)CCNC(=O)c1cnn2ccncc12 ZINC000193252551 357872460 /nfs/dbraw/zinc/87/24/60/357872460.db2.gz NBFAJWMJSJSSGQ-UHFFFAOYSA-N 0 3 247.302 0.411 20 0 BCADHN C[C@H]1OCC[C@@]1(C)NCC(=O)NCC1CC1 ZINC000235594623 357881155 /nfs/dbraw/zinc/88/11/55/357881155.db2.gz JXVYHNZGWCXKSD-BXKDBHETSA-N 0 3 226.320 0.670 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@]1(C)CO ZINC000546112280 325266698 /nfs/dbraw/zinc/26/66/98/325266698.db2.gz NLIAAKDTXOLYNJ-LBPRGKRZSA-N 0 3 228.336 0.702 20 0 BCADHN C[C@@H](CNC(=O)C1(N)CCC1)C[C@H](C)O ZINC000398629386 357889079 /nfs/dbraw/zinc/88/90/79/357889079.db2.gz KTPIXXMXUBPELO-BDAKNGLRSA-N 0 3 214.309 0.391 20 0 BCADHN N[C@H](C(=O)NCc1ncc[nH]1)C1CCC1 ZINC000398975415 357892859 /nfs/dbraw/zinc/89/28/59/357892859.db2.gz BEVXTARTTQNJKD-VIFPVBQESA-N 0 3 208.265 0.153 20 0 BCADHN CN(C[C@H]1CCCOC1)C(=O)[C@@H](N)C1CCC1 ZINC000398976678 357892925 /nfs/dbraw/zinc/89/29/25/357892925.db2.gz BTMJJMKCOJWMEN-PWSUYJOCSA-N 0 3 240.347 0.999 20 0 BCADHN COC[C@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000399013313 357893458 /nfs/dbraw/zinc/89/34/58/357893458.db2.gz ZQDILRRRZVCDLO-ONGXEEELSA-N 0 3 226.320 0.609 20 0 BCADHN COC[C@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000399013307 357893704 /nfs/dbraw/zinc/89/37/04/357893704.db2.gz ZQDILRRRZVCDLO-GXSJLCMTSA-N 0 3 226.320 0.609 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C2CCC2)CCO1 ZINC000399012717 357894265 /nfs/dbraw/zinc/89/42/65/357894265.db2.gz ZAMKMHZZVHCNRO-MIMYLULJSA-N 0 3 226.320 0.798 20 0 BCADHN COC[C@@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000399059909 357894605 /nfs/dbraw/zinc/89/46/05/357894605.db2.gz YLHISMIXWVPCLF-ZYHUDNBSSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@H]1OCC[C@]1(C)NCC(=O)N1CCOCC1 ZINC000235638254 357926683 /nfs/dbraw/zinc/92/66/83/357926683.db2.gz KZRBNWCVUFXRFU-PWSUYJOCSA-N 0 3 242.319 0.002 20 0 BCADHN COC[C@@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000399171802 357897661 /nfs/dbraw/zinc/89/76/61/357897661.db2.gz GNOFFSUHPROHQW-APPZFPTMSA-N 0 3 200.282 0.265 20 0 BCADHN N[C@H](C(=O)NCCCn1ccnc1)C1CCC1 ZINC000399257002 357900596 /nfs/dbraw/zinc/90/05/96/357900596.db2.gz NSAFJGVZSJYSCS-NSHDSACASA-N 0 3 236.319 0.517 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2c[nH]nn2)c1 ZINC000583320547 357902113 /nfs/dbraw/zinc/90/21/13/357902113.db2.gz ANVXSCAZPOTREU-VHSXEESVSA-N 0 3 243.270 0.757 20 0 BCADHN CC(C)(C)C[N@@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000193463197 357927997 /nfs/dbraw/zinc/92/79/97/357927997.db2.gz WFYYQNJFLAQTEN-LBPRGKRZSA-N 0 3 239.319 0.707 20 0 BCADHN CC(C)(C)C[N@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000193463197 357927998 /nfs/dbraw/zinc/92/79/98/357927998.db2.gz WFYYQNJFLAQTEN-LBPRGKRZSA-N 0 3 239.319 0.707 20 0 BCADHN C[C@@H](C1CC1)N(C)CC(=O)N1CCNC1=O ZINC000073779523 357929411 /nfs/dbraw/zinc/92/94/11/357929411.db2.gz DEUBQVOLCUSZJZ-QMMMGPOBSA-N 0 3 225.292 0.269 20 0 BCADHN CCn1nncc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000583750365 357934141 /nfs/dbraw/zinc/93/41/41/357934141.db2.gz LJKIUBDHRYXRFB-PWSUYJOCSA-N 0 3 236.319 0.909 20 0 BCADHN C[C@H](CN[C@H](CO)CC1CCC1)S(C)(=O)=O ZINC000583752961 357934745 /nfs/dbraw/zinc/93/47/45/357934745.db2.gz IWQKMAIPFPZSRL-KOLCDFICSA-N 0 3 249.376 0.560 20 0 BCADHN CCN(CC(F)F)C(=O)CNCCOC ZINC000386595279 357941667 /nfs/dbraw/zinc/94/16/67/357941667.db2.gz VWWKAIKOSBVQLT-UHFFFAOYSA-N 0 3 224.251 0.336 20 0 BCADHN CN(CC(=O)NC(N)=O)C(C1CC1)C1CC1 ZINC000050989529 357942973 /nfs/dbraw/zinc/94/29/73/357942973.db2.gz HHQJYWRFBGRZSC-UHFFFAOYSA-N 0 3 225.292 0.302 20 0 BCADHN COC[C@@H]1CN(C(=O)CNC2CC2)C[C@H](C)O1 ZINC000583810732 357955634 /nfs/dbraw/zinc/95/56/34/357955634.db2.gz FKIBTUFYPOKIJL-ONGXEEELSA-N 0 3 242.319 0.001 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N1C2CCC1CC2 ZINC000610504280 357957586 /nfs/dbraw/zinc/95/75/86/357957586.db2.gz CSOXMHSUBUVEAV-XNWIYYODSA-N 0 3 239.319 0.847 20 0 BCADHN COc1ccc(CNCCC(N)=O)cc1 ZINC000034938171 357964591 /nfs/dbraw/zinc/96/45/91/357964591.db2.gz FRAASAWXCGKDRQ-UHFFFAOYSA-N 0 3 208.261 0.660 20 0 BCADHN COC[C@@](C)(CO)NCCOC(C)C ZINC000639953697 357975693 /nfs/dbraw/zinc/97/56/93/357975693.db2.gz ZSCYTRZLRMOFKS-SNVBAGLBSA-N 0 3 205.298 0.398 20 0 BCADHN CCCCOCCN[C@@](C)(CO)COC ZINC000639955793 357977334 /nfs/dbraw/zinc/97/73/34/357977334.db2.gz QOCNVAHLVVVTFW-NSHDSACASA-N 0 3 219.325 0.790 20 0 BCADHN COC[C@@](C)(CO)NCCO[C@@H]1CCCCO1 ZINC000639955902 357978550 /nfs/dbraw/zinc/97/85/50/357978550.db2.gz AJECEDDNLVTGRW-VXGBXAGGSA-N 0 3 247.335 0.517 20 0 BCADHN COC[C@@](C)(CO)NC[C@H](O)C1CCCCC1 ZINC000639956950 357980699 /nfs/dbraw/zinc/98/06/99/357980699.db2.gz HCASLVDBJMBBOA-QWHCGFSZSA-N 0 3 245.363 0.915 20 0 BCADHN COC[C@@](C)(CO)NCCc1cncs1 ZINC000639957198 357980950 /nfs/dbraw/zinc/98/09/50/357980950.db2.gz KYESASOYBQXHQZ-SNVBAGLBSA-N 0 3 230.333 0.673 20 0 BCADHN COC[C@](C)(CO)NC[C@H]1CC[C@@H](C)O1 ZINC000639957164 357981061 /nfs/dbraw/zinc/98/10/61/357981061.db2.gz KIWXYGDGFLLYBQ-MXWKQRLJSA-N 0 3 217.309 0.541 20 0 BCADHN COC[C@@](C)(CO)NCCOCC(C)C ZINC000639958314 357982888 /nfs/dbraw/zinc/98/28/88/357982888.db2.gz RUJPQAKNDDKOMM-LLVKDONJSA-N 0 3 219.325 0.646 20 0 BCADHN COC[C@](C)(CO)NC[C@H](O)CCC(C)C ZINC000639958464 357983544 /nfs/dbraw/zinc/98/35/44/357983544.db2.gz SSYMNPPTOUEBHZ-NEPJUHHUSA-N 0 3 233.352 0.771 20 0 BCADHN CCO[C@H](CN[C@@](C)(CO)COC)C1CC1 ZINC000639959156 357983564 /nfs/dbraw/zinc/98/35/64/357983564.db2.gz 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211.290 0.511 20 0 BCADHN CCCCCN(CC[C@H](C)O)CC(N)=O ZINC000450707964 202240221 /nfs/dbraw/zinc/24/02/21/202240221.db2.gz MHYNUZMCQFXECF-JTQLQIEISA-N 0 3 216.325 0.735 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](O)CC(C)(C)C ZINC000225287133 358247845 /nfs/dbraw/zinc/24/78/45/358247845.db2.gz IBKJOKUXKXUMDI-RKDXNWHRSA-N 0 3 216.325 0.637 20 0 BCADHN C[C@@H]1CN(CCCN2CCO[C@@H](C)C2)CCO1 ZINC000172648818 134267157 /nfs/dbraw/zinc/26/71/57/134267157.db2.gz MUIDRRQMVREZTP-BETUJISGSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H](CO)[C@H](C)NCC(=O)N(C)CC1CC1 ZINC000450734911 202248265 /nfs/dbraw/zinc/24/82/65/202248265.db2.gz XPAVLXHWQYXSJM-ZJUUUORDSA-N 0 3 228.336 0.461 20 0 BCADHN CN(CCNC1(C(N)=O)CC1)Cc1ccccc1 ZINC000450700378 202240266 /nfs/dbraw/zinc/24/02/66/202240266.db2.gz TVTIFBIIYJGURV-UHFFFAOYSA-N 0 3 247.342 0.726 20 0 BCADHN CCOC(=O)C[C@H](C)N(C)C[C@H]1COCCO1 ZINC000450717984 202244818 /nfs/dbraw/zinc/24/48/18/202244818.db2.gz ROAVYRVUQQHKGW-QWRGUYRKSA-N 0 3 245.319 0.675 20 0 BCADHN 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C[C@H](C(=O)NC(N)=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172964973 134271090 /nfs/dbraw/zinc/27/10/90/134271090.db2.gz UMPTVTKOIGEIAD-PRJMDXOYSA-N 0 3 225.292 0.158 20 0 BCADHN Cc1c(CNC[C@H](O)COC(C)C)cnn1C ZINC000226380807 358338546 /nfs/dbraw/zinc/33/85/46/358338546.db2.gz XZXLYBMEVRYLMT-LBPRGKRZSA-N 0 3 241.335 0.604 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ncccc1C ZINC000227346399 358354271 /nfs/dbraw/zinc/35/42/71/358354271.db2.gz QNXLNZWOWMPZSN-QMMMGPOBSA-N 0 3 209.249 0.302 20 0 BCADHN CC(C(=O)N1CCC[C@H]1C)S(C)(=O)=O ZINC000173132684 134273961 /nfs/dbraw/zinc/27/39/61/134273961.db2.gz PVYQZYISLLAJLK-SFYZADRCSA-N 0 3 219.306 0.430 20 0 BCADHN CCc1nn(C)cc1NC(=O)[C@@H](N)CC ZINC000226705026 358343603 /nfs/dbraw/zinc/34/36/03/358343603.db2.gz JWTDRVWMRZEUHG-ZETCQYMHSA-N 0 3 210.281 0.658 20 0 BCADHN C[C@@H](NC(=O)CNC1CC1)C1CCOCC1 ZINC000229087274 358344801 /nfs/dbraw/zinc/34/48/01/358344801.db2.gz BRBKMDQZUVAQPS-SECBINFHSA-N 0 3 226.320 0.670 20 0 BCADHN CN(C1CNC1)S(=O)(=O)CC1CCCCC1 ZINC000085257877 134272197 /nfs/dbraw/zinc/27/21/97/134272197.db2.gz SHLHZAAUDCWAGQ-UHFFFAOYSA-N 0 3 246.376 0.800 20 0 BCADHN C[C@@H](NC(=O)C1(N)CCC1)C(=O)NC(C)(C)C ZINC000229070077 358345290 /nfs/dbraw/zinc/34/52/90/358345290.db2.gz OVKMPYOWPVOSBR-MRVPVSSYSA-N 0 3 241.335 0.287 20 0 BCADHN O=C(COC[C@H]1CCCO1)N1CCCNCC1 ZINC000042355036 358346777 /nfs/dbraw/zinc/34/67/77/358346777.db2.gz XXTYDLDAJJSBMO-LLVKDONJSA-N 0 3 242.319 0.004 20 0 BCADHN CO[C@H](CN)C(=O)N(CC1CC1)C(C)C ZINC000227378550 358355214 /nfs/dbraw/zinc/35/52/14/358355214.db2.gz DDZIVGJNHCXDNK-SNVBAGLBSA-N 0 3 214.309 0.607 20 0 BCADHN CO[C@H](CN)C(=O)Nc1nc(C(C)=O)cs1 ZINC000227386367 358355242 /nfs/dbraw/zinc/35/52/42/358355242.db2.gz GIOANILDEZPINH-SSDOTTSWSA-N 0 3 243.288 0.258 20 0 BCADHN CCCS(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000173249017 134273084 /nfs/dbraw/zinc/27/30/84/134273084.db2.gz JSAANYLPYBKCLC-WDEREUQCSA-N 0 3 248.392 0.998 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2cnc(N)cn2)C1 ZINC000228576756 358379910 /nfs/dbraw/zinc/37/99/10/358379910.db2.gz JLEOJDXOZXYSGC-SECBINFHSA-N 0 3 249.318 0.225 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2cnc(N)cn2)C1 ZINC000228576607 358380032 /nfs/dbraw/zinc/38/00/32/358380032.db2.gz YHILSSMVAQBMSH-VIFPVBQESA-N 0 3 249.318 0.130 20 0 BCADHN NC(=O)c1ccc(N2CCN3CCC2CC3)nc1 ZINC000375486607 181297574 /nfs/dbraw/zinc/29/75/74/181297574.db2.gz KEYISZISCJHCPV-UHFFFAOYSA-N 0 3 246.314 0.465 20 0 BCADHN CO[C@H](CN)C(=O)NCC[C@H]1CCCCO1 ZINC000227419469 358356915 /nfs/dbraw/zinc/35/69/15/358356915.db2.gz PSRHMKAOLOWFSO-NXEZZACHSA-N 0 3 230.308 0.036 20 0 BCADHN COC[C@@H](O)CNCc1cccc(CO)c1 ZINC000227472181 358358745 /nfs/dbraw/zinc/35/87/45/358358745.db2.gz QUVZCTDSTAFVPU-LBPRGKRZSA-N 0 3 225.288 0.276 20 0 BCADHN CNCC(=O)NCC(F)(F)C(F)F ZINC000230693609 358410145 /nfs/dbraw/zinc/41/01/45/358410145.db2.gz IXWKTDVTKCPKQM-UHFFFAOYSA-N 0 3 202.151 0.222 20 0 BCADHN COC[C@@H](O)CNCc1cncc(C)c1 ZINC000228685256 358383764 /nfs/dbraw/zinc/38/37/64/358383764.db2.gz NFIQVEKBUFJFCZ-NSHDSACASA-N 0 3 210.277 0.487 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@H]1C[C@@H](O)C1(C)C ZINC000228861198 358387187 /nfs/dbraw/zinc/38/71/87/358387187.db2.gz IJJZNZVMLGGTRZ-LPEHRKFASA-N 0 3 228.336 0.650 20 0 BCADHN CCN(C)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000173938980 134276857 /nfs/dbraw/zinc/27/68/57/134276857.db2.gz JDGBPDOYHMRHKL-UHFFFAOYSA-N 0 3 239.323 0.928 20 0 BCADHN CC(C)OC(=O)CCN(C)C[C@@H](C)O ZINC000173798635 134277324 /nfs/dbraw/zinc/27/73/24/134277324.db2.gz AUTACRSTOSQWFN-SECBINFHSA-N 0 3 203.282 0.641 20 0 BCADHN CN1CCC[C@@H](CNC(=O)C(C)(C)O)C1 ZINC000230106626 358393938 /nfs/dbraw/zinc/39/39/38/358393938.db2.gz GLHREYFZSMWKQH-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@H](C)N)CC[C@@H]1C ZINC000230242343 358396248 /nfs/dbraw/zinc/39/62/48/358396248.db2.gz WLICRZLGDIZXSU-XHNCKOQMSA-N 0 3 200.282 0.217 20 0 BCADHN CC[C@@H](N)C(=O)NCCCCn1ccnc1 ZINC000045109218 358401282 /nfs/dbraw/zinc/40/12/82/358401282.db2.gz XVYQCVALQCLXTJ-SNVBAGLBSA-N 0 3 224.308 0.517 20 0 BCADHN CC(C)CN(CC(=O)NC(N)=O)C(C)C ZINC000029724112 358446338 /nfs/dbraw/zinc/44/63/38/358446338.db2.gz GMVNSOSZCLDOIO-UHFFFAOYSA-N 0 3 215.297 0.548 20 0 BCADHN NC(=O)c1ccc(NC(=O)C2(N)CCCC2)cc1 ZINC000037616003 181298051 /nfs/dbraw/zinc/29/80/51/181298051.db2.gz NAAXOTZLYRFMND-UHFFFAOYSA-N 0 3 247.298 0.996 20 0 BCADHN CCOC[C@@H](C)NC[C@@H](C)S(C)(=O)=O ZINC000389240649 358415925 /nfs/dbraw/zinc/41/59/25/358415925.db2.gz YERIYXNPNWWYHF-RKDXNWHRSA-N 0 3 223.338 0.434 20 0 BCADHN CSCCN1CCN(C(C)(C)CO)CC1 ZINC000610988700 358422271 /nfs/dbraw/zinc/42/22/71/358422271.db2.gz PXWXDTRCNLDHJF-UHFFFAOYSA-N 0 3 232.393 0.738 20 0 BCADHN Cc1ccncc1CNC[C@@](C)(O)CO ZINC000135465251 491132735 /nfs/dbraw/zinc/13/27/35/491132735.db2.gz UTRXZYRXUXERCA-LLVKDONJSA-N 0 3 210.277 0.223 20 0 BCADHN CCOC(=O)[C@@H](C)N1CCN(CC2CC2)CC1 ZINC000043638755 358541062 /nfs/dbraw/zinc/54/10/62/358541062.db2.gz ZZVJYVKPPTZFOU-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](O)CN(C)[C@H]1CCCCNC1=O ZINC000126419485 358550016 /nfs/dbraw/zinc/55/00/16/358550016.db2.gz JUARRPQEPBRIMI-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN Cn1ccnc1CN[C@H]1CCN(C2CC2)C1 ZINC000044722743 358552909 /nfs/dbraw/zinc/55/29/09/358552909.db2.gz CYGBEHZPUICXGO-JTQLQIEISA-N 0 3 220.320 0.746 20 0 BCADHN C[C@@H](CNC(=O)CC(=O)N(C)C)N(C)C1CC1 ZINC000174564410 134282830 /nfs/dbraw/zinc/28/28/30/134282830.db2.gz DAPHUGBEMVEFKQ-VIFPVBQESA-N 0 3 241.335 0.064 20 0 BCADHN CCN(CC)CC(=O)NCCCOC ZINC000046703851 358580277 /nfs/dbraw/zinc/58/02/77/358580277.db2.gz SJJZVHWDYWKYKQ-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN CCN1CCN(CCNC(=O)C(C)C)CC1 ZINC000042590091 358527324 /nfs/dbraw/zinc/52/73/24/358527324.db2.gz RDRGBWSSLOUQTC-UHFFFAOYSA-N 0 3 227.352 0.396 20 0 BCADHN CC(C)CNC(=O)CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125420457 358539256 /nfs/dbraw/zinc/53/92/56/358539256.db2.gz LGNWXKNDEHSIGE-TUAOUCFPSA-N 0 3 240.347 0.461 20 0 BCADHN CCC[C@H](N)C(=O)NCCc1ccncc1 ZINC000048262376 358624016 /nfs/dbraw/zinc/62/40/16/358624016.db2.gz ZZOSBPUYKFFOQN-NSHDSACASA-N 0 3 221.304 0.868 20 0 BCADHN CCC(=O)N[C@@H]1CCCN(CCC(=O)NC)C1 ZINC000130438259 358625982 /nfs/dbraw/zinc/62/59/82/358625982.db2.gz GCIFDDWJDRIMSA-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN C[C@H](CN(C)C)Nc1nccn2cnnc12 ZINC000130593950 358633397 /nfs/dbraw/zinc/63/33/97/358633397.db2.gz AVRBDBDVIHHZIE-MRVPVSSYSA-N 0 3 220.280 0.486 20 0 BCADHN Cn1nncc1CN[C@H]1CCCSC1 ZINC000129792973 358596809 /nfs/dbraw/zinc/59/68/09/358596809.db2.gz IGDLQRFCQPQBFN-QMMMGPOBSA-N 0 3 212.322 0.800 20 0 BCADHN CC(C)[C@H]1CCCN1CC(=O)N1CCNC1=O ZINC000049077543 358669568 /nfs/dbraw/zinc/66/95/68/358669568.db2.gz BOMCPJPZAZEPNR-SNVBAGLBSA-N 0 3 239.319 0.659 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H](C)[C@@H](C)CO)N(C)C ZINC000132056962 358705170 /nfs/dbraw/zinc/70/51/70/358705170.db2.gz DTNMIDYHGGCRAN-HBNTYKKESA-N 0 3 230.352 0.706 20 0 BCADHN NC(=O)c1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000335519767 181298600 /nfs/dbraw/zinc/29/86/00/181298600.db2.gz HBYDOTCFDHPUCI-SECBINFHSA-N 0 3 219.244 0.086 20 0 BCADHN OC[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000049774064 358700572 /nfs/dbraw/zinc/70/05/72/358700572.db2.gz WMSSZOFBLVPUAM-LBPRGKRZSA-N 0 3 228.336 0.023 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)NCCN(C)C ZINC000133117787 358746019 /nfs/dbraw/zinc/74/60/19/358746019.db2.gz NCLBUGBBGFWXPM-DTWKUNHWSA-N 0 3 200.282 0.089 20 0 BCADHN CN(C)CCNC(=O)NC1CCC(O)CC1 ZINC000133322035 358750812 /nfs/dbraw/zinc/75/08/12/358750812.db2.gz UAQHGDMEIAWZFT-UHFFFAOYSA-N 0 3 229.324 0.151 20 0 BCADHN CCN1CCCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000133432731 358754732 /nfs/dbraw/zinc/75/47/32/358754732.db2.gz IFKNYPAWCHASIY-LLVKDONJSA-N 0 3 226.320 0.577 20 0 BCADHN CCN1CCCN(C(=O)c2cnn(C)c2)CC1 ZINC000133470387 358756165 /nfs/dbraw/zinc/75/61/65/358756165.db2.gz HYEGONFPIYYRRU-UHFFFAOYSA-N 0 3 236.319 0.588 20 0 BCADHN NS(=O)(=O)NC1CCN(C2CCCC2)CC1 ZINC000176506872 134291664 /nfs/dbraw/zinc/29/16/64/134291664.db2.gz DEZDAKFFXAPZCG-UHFFFAOYSA-N 0 3 247.364 0.187 20 0 BCADHN COC(=O)CCCN(C)CCN1CCOCC1 ZINC000050065128 358711525 /nfs/dbraw/zinc/71/15/25/358711525.db2.gz AJTHUBUBTUGWNF-UHFFFAOYSA-N 0 3 244.335 0.204 20 0 BCADHN COC(=O)[C@H](C)CN(C)CCN1CCOCC1 ZINC000050068922 358713111 /nfs/dbraw/zinc/71/31/11/358713111.db2.gz YOAZBKMNFSUZFZ-LLVKDONJSA-N 0 3 244.335 0.060 20 0 BCADHN C[C@@H](NC(=O)c1c[n-]nn1)C(C)(C)C[NH+](C)C ZINC000175828349 134289299 /nfs/dbraw/zinc/28/92/99/134289299.db2.gz YXGMITLARBFMGG-MRVPVSSYSA-N 0 3 239.323 0.511 20 0 BCADHN C[C@@H](NC(=O)c1cnn[n-]1)C(C)(C)C[NH+](C)C ZINC000175828349 134289300 /nfs/dbraw/zinc/28/93/00/134289300.db2.gz YXGMITLARBFMGG-MRVPVSSYSA-N 0 3 239.323 0.511 20 0 BCADHN C[C@@H](NC(=O)c1cn[n-]n1)C(C)(C)C[NH+](C)C ZINC000175828349 134289301 /nfs/dbraw/zinc/28/93/01/134289301.db2.gz YXGMITLARBFMGG-MRVPVSSYSA-N 0 3 239.323 0.511 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC1(CCO)CCC1 ZINC000132325495 358719510 /nfs/dbraw/zinc/71/95/10/358719510.db2.gz KNIVNEUNKCRWAC-JTQLQIEISA-N 0 3 249.376 0.562 20 0 BCADHN C[C@H](CCO)NCc1cnc(N(C)C)n1C ZINC000132412501 358722799 /nfs/dbraw/zinc/72/27/99/358722799.db2.gz ZAPTVBOSPGMHCX-SECBINFHSA-N 0 3 226.324 0.347 20 0 BCADHN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1ccccc1F ZINC000050378237 358725683 /nfs/dbraw/zinc/72/56/83/358725683.db2.gz JSIVABUVDFVEII-QMMMGPOBSA-N 0 3 246.307 0.841 20 0 BCADHN COCCN[C@@H](Cc1ccccc1)C(N)=O ZINC000053256945 358820429 /nfs/dbraw/zinc/82/04/29/358820429.db2.gz HZUBHVHFEWDOLL-NSHDSACASA-N 0 3 222.288 0.319 20 0 BCADHN CCC(=O)N1CC[C@@H](NC2CSC2)C1 ZINC000308522347 491136824 /nfs/dbraw/zinc/13/68/24/491136824.db2.gz PJUVGPZAKXYSPF-MRVPVSSYSA-N 0 3 214.334 0.702 20 0 BCADHN CCCC[C@H](N)C(=O)NCC(=O)N1CCCC1 ZINC000134447630 358790528 /nfs/dbraw/zinc/79/05/28/358790528.db2.gz BCSDZERTPDUDHM-JTQLQIEISA-N 0 3 241.335 0.243 20 0 BCADHN Cc1c([C@@H](C)NCCOCCO)cnn1C ZINC000134545604 358793974 /nfs/dbraw/zinc/79/39/74/358793974.db2.gz NPQIAMRQFQUCKV-SECBINFHSA-N 0 3 227.308 0.388 20 0 BCADHN CNC(=O)CN1CCCC[C@H](SC)C1 ZINC000134584213 358796445 /nfs/dbraw/zinc/79/64/45/358796445.db2.gz IQJVCGFRYNCBNC-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN Cc1nn(C)cc1CNCCCOCCO ZINC000134669699 358799233 /nfs/dbraw/zinc/79/92/33/358799233.db2.gz OGCRQEHRHBHNGF-UHFFFAOYSA-N 0 3 227.308 0.217 20 0 BCADHN CC(C)NC(=O)CN1CCNC[C@@H]1C(F)F ZINC000578237224 366464633 /nfs/dbraw/zinc/46/46/33/366464633.db2.gz FLHLYFTVCHIJCH-MRVPVSSYSA-N 0 3 235.278 0.050 20 0 BCADHN O=C(CNC1(CO)CCCC1)NCC1CC1 ZINC000053069748 358808005 /nfs/dbraw/zinc/80/80/05/358808005.db2.gz XWVZREOUEBQFBX-UHFFFAOYSA-N 0 3 226.320 0.407 20 0 BCADHN COCCN(C)CCC(=O)N1CCCCC1 ZINC000054361463 358859187 /nfs/dbraw/zinc/85/91/87/358859187.db2.gz OSEQEPYPXFKBCS-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN CCNC(=O)CCN[C@@H]1CCCn2nccc21 ZINC000640218432 358872114 /nfs/dbraw/zinc/87/21/14/358872114.db2.gz UEYHTKPEHWXNTB-SNVBAGLBSA-N 0 3 236.319 0.834 20 0 BCADHN Cc1ccncc1CNC[C@@H]1CN(C)CCN1C ZINC000135461237 358839879 /nfs/dbraw/zinc/83/98/79/358839879.db2.gz NFZCTSVXCPPBIB-CQSZACIVSA-N 0 3 248.374 0.725 20 0 BCADHN COCCNCC(=O)NCCC1(COC)CC1 ZINC000578324392 366514157 /nfs/dbraw/zinc/51/41/57/366514157.db2.gz HVQGUZSIKZFQTO-UHFFFAOYSA-N 0 3 244.335 0.155 20 0 BCADHN COC(CN1CCS[C@H]2COCC[C@@H]21)OC ZINC000136784116 358886031 /nfs/dbraw/zinc/88/60/31/358886031.db2.gz MUIPURJBNAFDON-UWVGGRQHSA-N 0 3 247.360 0.812 20 0 BCADHN CN(CCCF)[C@@H]1CCCCNC1=O ZINC000137036365 358890599 /nfs/dbraw/zinc/89/05/99/358890599.db2.gz JPWLBLFRVJBLKM-SECBINFHSA-N 0 3 202.273 0.947 20 0 BCADHN NC(=O)CCNCCOc1ncccc1Cl ZINC000578316019 366500486 /nfs/dbraw/zinc/50/04/86/366500486.db2.gz JQLRNFSNZOTXKV-UHFFFAOYSA-N 0 3 243.694 0.579 20 0 BCADHN CCN(C)CCNC(=O)CN1CCC(C)CC1 ZINC000137530623 358896819 /nfs/dbraw/zinc/89/68/19/358896819.db2.gz LSQNRMOGSYGVAP-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN CCCCN(C)CC(=O)N1CCNC1=O ZINC000057832351 358907426 /nfs/dbraw/zinc/90/74/26/358907426.db2.gz JXJAQNIRYAFKFO-UHFFFAOYSA-N 0 3 213.281 0.270 20 0 BCADHN CC[C@@H](C)N(C)CC(=O)NC(=O)NC ZINC000060575183 358927258 /nfs/dbraw/zinc/92/72/58/358927258.db2.gz HMXCHGYRQVUYBG-SSDOTTSWSA-N 0 3 201.270 0.172 20 0 BCADHN CCCC(=O)NC[C@H]1CCCN(CCO)C1 ZINC000177701080 134301549 /nfs/dbraw/zinc/30/15/49/134301549.db2.gz HYOFQBQGXSEQBH-LLVKDONJSA-N 0 3 228.336 0.607 20 0 BCADHN CN(C)CCNC(=O)C1CCOCC1 ZINC000060781247 358929434 /nfs/dbraw/zinc/92/94/34/358929434.db2.gz VNCRXYCZPWQZGQ-UHFFFAOYSA-N 0 3 200.282 0.091 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000397646854 358945466 /nfs/dbraw/zinc/94/54/66/358945466.db2.gz VJOBHGSRMFIKAB-NXEZZACHSA-N 0 3 226.320 0.215 20 0 BCADHN COCCNCC(=O)N1C[C@H](C)C[C@@H]1C ZINC000158466758 358977537 /nfs/dbraw/zinc/97/75/37/358977537.db2.gz WCAXQAYQEAPNOU-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN CCN(CC)CCNS(=O)(=O)c1c[nH]cn1 ZINC000069947889 359036850 /nfs/dbraw/zinc/03/68/50/359036850.db2.gz OGTNZYHEQMCQCV-UHFFFAOYSA-N 0 3 246.336 0.030 20 0 BCADHN CN(C)c1ncc(CNC[C@H](O)C2CC2)n1C ZINC000070144232 359043246 /nfs/dbraw/zinc/04/32/46/359043246.db2.gz RMTGOEPLZABVBI-NSHDSACASA-N 0 3 238.335 0.347 20 0 BCADHN CC(C)OC[C@H](O)CN1CCN(C2CC2)CC1 ZINC000070197555 359044507 /nfs/dbraw/zinc/04/45/07/359044507.db2.gz MTNCSMSFGZSGQF-CYBMUJFWSA-N 0 3 242.363 0.552 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCCC[C@@H]1CO ZINC000070192334 359044573 /nfs/dbraw/zinc/04/45/73/359044573.db2.gz YHOMMJICOGLCSP-NEPJUHHUSA-N 0 3 231.336 0.619 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)CC[C@H](C)O ZINC000158333792 359001947 /nfs/dbraw/zinc/00/19/47/359001947.db2.gz LPQWLONITIQSJJ-UWVGGRQHSA-N 0 3 216.325 0.589 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@@H](N)C(C)(C)C ZINC000158342503 359006788 /nfs/dbraw/zinc/00/67/88/359006788.db2.gz VQQKFSGGWGJCJT-DTWKUNHWSA-N 0 3 216.325 0.589 20 0 BCADHN CC(C)(O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000070939773 359065879 /nfs/dbraw/zinc/06/58/79/359065879.db2.gz WDSMXYWSZPGZIB-LBPRGKRZSA-N 0 3 242.363 0.411 20 0 BCADHN CC(C)OCCN1CCN(CC(C)(C)O)CC1 ZINC000070939871 359066896 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/nfs/dbraw/zinc/38/91/21/202389121.db2.gz YREOTOWEHIBDPH-NSHDSACASA-N 0 3 217.309 0.277 20 0 BCADHN Cc1nc2ccccn2c1CNC(CO)CO ZINC000087750513 359925472 /nfs/dbraw/zinc/92/54/72/359925472.db2.gz WLPBVULUZTYKTB-UHFFFAOYSA-N 0 3 235.287 0.086 20 0 BCADHN CN(C)C(=O)c1cccc(NC(=O)C2(N)CC2)c1 ZINC000088130094 359937444 /nfs/dbraw/zinc/93/74/44/359937444.db2.gz DLDXBYBFETZCPL-UHFFFAOYSA-N 0 3 247.298 0.818 20 0 BCADHN C[C@@H](O)CNC1(C(=O)N(C)C)CCCCC1 ZINC000451410787 202414584 /nfs/dbraw/zinc/41/45/84/202414584.db2.gz KIQABGLEPGIZHF-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CCOC(=O)COCCN1CCC[C@]1(C)CO ZINC000578821048 366650813 /nfs/dbraw/zinc/65/08/13/366650813.db2.gz ZCLDUOPAQOVRQI-GFCCVEGCSA-N 0 3 245.319 0.413 20 0 BCADHN COCc1ccc(CNC[C@H](O)COC)cc1 ZINC000088568525 359967413 /nfs/dbraw/zinc/96/74/13/359967413.db2.gz HJYGANQEAXQXED-ZDUSSCGKSA-N 0 3 239.315 0.930 20 0 BCADHN CC(C)N(C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000089976705 360050574 /nfs/dbraw/zinc/05/05/74/360050574.db2.gz 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ZINC000629424698 361066924 /nfs/dbraw/zinc/06/69/24/361066924.db2.gz WYSWHDGMECOMHZ-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN CN(CCN(C)c1ccccc1)C(=O)[C@@H]1C[C@@H]1N ZINC000424149290 200868231 /nfs/dbraw/zinc/86/82/31/200868231.db2.gz WIBWLQBWQXILMZ-OLZOCXBDSA-N 0 3 247.342 0.928 20 0 BCADHN Cc1nccn1CC(=O)NC[C@@H]1CCCN1C ZINC000629451700 361076752 /nfs/dbraw/zinc/07/67/52/361076752.db2.gz KUZJOLBALSMGSV-NSHDSACASA-N 0 3 236.319 0.402 20 0 BCADHN CCO[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCCN1C ZINC000629457501 361081007 /nfs/dbraw/zinc/08/10/07/361081007.db2.gz RVMBVQAZAPCTSZ-DCAQKATOSA-N 0 3 226.320 0.622 20 0 BCADHN NC1(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000364870652 181323719 /nfs/dbraw/zinc/32/37/19/181323719.db2.gz VPRSTZLBUNCACF-ULKQDVFKSA-N 0 3 224.304 0.097 20 0 BCADHN CN(C)Cc1cccc(C(=O)NC2COC2)c1 ZINC000634256050 361113794 /nfs/dbraw/zinc/11/37/94/361113794.db2.gz IQDWIDIKFDGAGG-UHFFFAOYSA-N 0 3 234.299 0.877 20 0 BCADHN Cc1ncc(CC(=O)N2CC[C@@H]3CN(C)C[C@H]32)o1 ZINC000640356773 361144439 /nfs/dbraw/zinc/14/44/39/361144439.db2.gz NTKPXKJOCZCOST-ZYHUDNBSSA-N 0 3 249.314 0.688 20 0 BCADHN Cc1ncc(CC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)o1 ZINC000640356772 361144472 /nfs/dbraw/zinc/14/44/72/361144472.db2.gz NTKPXKJOCZCOST-PWSUYJOCSA-N 0 3 249.314 0.688 20 0 BCADHN NC1(C(=O)N2CCC3(C2)CCOCC3)CCC1 ZINC000335600245 181324484 /nfs/dbraw/zinc/32/44/84/181324484.db2.gz VOYCKZAGFVSKCY-UHFFFAOYSA-N 0 3 238.331 0.897 20 0 BCADHN C[C@]1(F)CNCCN(Cc2cccnc2N)C1 ZINC000629532774 361154638 /nfs/dbraw/zinc/15/46/38/361154638.db2.gz REHOPBCZNCFAED-LBPRGKRZSA-N 0 3 238.310 0.797 20 0 BCADHN NC1(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000353633479 181324735 /nfs/dbraw/zinc/32/47/35/181324735.db2.gz HBQNBOLLAQPCFW-VIFPVBQESA-N 0 3 234.303 0.607 20 0 BCADHN C[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1cnccc1N ZINC000629524372 361124768 /nfs/dbraw/zinc/12/47/68/361124768.db2.gz PYCQXDLSDZWJHH-CIUDSAMLSA-N 0 3 234.303 0.409 20 0 BCADHN NC1(C(=O)NCCCNc2ccccn2)CCC1 ZINC000296204841 181325795 /nfs/dbraw/zinc/32/57/95/181325795.db2.gz ZILLPBOWUALRGA-UHFFFAOYSA-N 0 3 248.330 0.881 20 0 BCADHN O=C(CCN1C[C@@H]2C[C@]2(O)C1)N1CCCCC1 ZINC000640476483 361249688 /nfs/dbraw/zinc/24/96/88/361249688.db2.gz MMECQBDXASXIIF-AAEUAGOBSA-N 0 3 238.331 0.456 20 0 BCADHN NC1(C(=O)NCCC[C@H]2CCCC[C@H]2O)CC1 ZINC000353740189 181325984 /nfs/dbraw/zinc/32/59/84/181325984.db2.gz CHWKESJGFGTRCF-GHMZBOCLSA-N 0 3 240.347 0.925 20 0 BCADHN CC(C)COCCN1CC[C@H](CO)C1 ZINC000158946853 361216021 /nfs/dbraw/zinc/21/60/21/361216021.db2.gz GJOFJWOKUADMMA-NSHDSACASA-N 0 3 201.310 0.973 20 0 BCADHN NC1(C(=O)NCCCNc2ccccn2)CC1 ZINC000262709591 181326144 /nfs/dbraw/zinc/32/61/44/181326144.db2.gz OYCVGYYSZAWMHM-UHFFFAOYSA-N 0 3 234.303 0.491 20 0 BCADHN C=Cn1cc(CN[C@@H]2CCC[C@H]2O)cn1 ZINC000194325859 361216324 /nfs/dbraw/zinc/21/63/24/361216324.db2.gz SCTLWEAHMNOCKZ-GHMZBOCLSA-N 0 3 207.277 0.987 20 0 BCADHN C=Cn1cc(CNCCOCCO)cn1 ZINC000194344191 361219217 /nfs/dbraw/zinc/21/92/17/361219217.db2.gz OAOLZRVHOAIDGU-UHFFFAOYSA-N 0 3 211.265 0.082 20 0 BCADHN NC1(C(=O)NCCc2nc3ccccc3[nH]2)CC1 ZINC000083372766 181326332 /nfs/dbraw/zinc/32/63/32/181326332.db2.gz HJSFPMQEDOKXHH-UHFFFAOYSA-N 0 3 244.298 0.713 20 0 BCADHN NC1(C(=O)NCC(F)F)Cc2ccccc2C1 ZINC000366328648 181326394 /nfs/dbraw/zinc/32/63/94/181326394.db2.gz KBJCPZNGSJSVCS-UHFFFAOYSA-N 0 3 240.253 0.864 20 0 BCADHN O[C@]12C[C@H]1CN(CCc1ccncc1)C2 ZINC000640476754 361251599 /nfs/dbraw/zinc/25/15/99/361251599.db2.gz KOUCFUZZMJPYHE-RYUDHWBXSA-N 0 3 204.273 0.691 20 0 BCADHN O[C@@]12C[C@@H]1CN(CCc1cccnc1)C2 ZINC000640484291 361275079 /nfs/dbraw/zinc/27/50/79/361275079.db2.gz ZWOLQAGHAXPCAN-VXGBXAGGSA-N 0 3 204.273 0.691 20 0 BCADHN Cc1noc(C)c1CCN1C[C@@H]2C[C@]2(O)C1 ZINC000640484245 361275272 /nfs/dbraw/zinc/27/52/72/361275272.db2.gz ZMTWYPFSSKUKDE-JQWIXIFHSA-N 0 3 222.288 0.901 20 0 BCADHN O[C@]12C[C@H]1CN(CCc1cccnc1)C2 ZINC000640484290 361275430 /nfs/dbraw/zinc/27/54/30/361275430.db2.gz ZWOLQAGHAXPCAN-RYUDHWBXSA-N 0 3 204.273 0.691 20 0 BCADHN Cc1ncccc1CN1C[C@@H]2C[C@]2(O)C1 ZINC000640488567 361281676 /nfs/dbraw/zinc/28/16/76/361281676.db2.gz UUJMABKZSQTMPT-RYUDHWBXSA-N 0 3 204.273 0.957 20 0 BCADHN C[C@H]1C[C@H]1CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000575000638 361282334 /nfs/dbraw/zinc/28/23/34/361282334.db2.gz JAPXRTQSYDUCKF-NAKRPEOUSA-N 0 3 226.320 0.166 20 0 BCADHN Cn1nccc1CCN1C[C@@H]2C[C@]2(O)C1 ZINC000640489651 361284111 /nfs/dbraw/zinc/28/41/11/361284111.db2.gz ZMDNGCGKYIPYFE-ONGXEEELSA-N 0 3 207.277 0.029 20 0 BCADHN NC1(C(=O)NC[C@@H]2OCCc3ccccc32)CC1 ZINC000366347173 181327407 /nfs/dbraw/zinc/32/74/07/181327407.db2.gz NNUPQPWTPDRSSB-LBPRGKRZSA-N 0 3 246.310 0.908 20 0 BCADHN NC(=O)NC(=O)CCN[C@H]1CCC[C@H]1F ZINC000578996028 366689529 /nfs/dbraw/zinc/68/95/29/366689529.db2.gz GMSAZSVEHGKLER-RQJHMYQMSA-N 0 3 217.244 0.052 20 0 BCADHN CC(C)N1CC[C@H](N2C[C@H]3C[C@@]3(O)C2)C1=O ZINC000640477584 361253494 /nfs/dbraw/zinc/25/34/94/361253494.db2.gz CBSZCSDQHDEJRB-JFGNBEQYSA-N 0 3 224.304 0.062 20 0 BCADHN NC1(C(=O)NCCc2ccc(F)cc2)CC1 ZINC000083351811 181326658 /nfs/dbraw/zinc/32/66/58/181326658.db2.gz AFHKLCHMEZDETC-UHFFFAOYSA-N 0 3 222.263 0.976 20 0 BCADHN CC(=O)c1nc(CCN2C[C@@H]3C[C@]3(O)C2)[nH]c1C ZINC000640480464 361262805 /nfs/dbraw/zinc/26/28/05/361262805.db2.gz HEGHDUJCOTVQDS-GWCFXTLKSA-N 0 3 249.314 0.530 20 0 BCADHN CC(=O)c1[nH]c(CCN2C[C@@H]3C[C@]3(O)C2)nc1C ZINC000640480464 361262810 /nfs/dbraw/zinc/26/28/10/361262810.db2.gz HEGHDUJCOTVQDS-GWCFXTLKSA-N 0 3 249.314 0.530 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H]1C[C@H](O)C1(C)C)N(C)C ZINC000428292476 201006319 /nfs/dbraw/zinc/00/63/19/201006319.db2.gz BXZHOAUJAKGVHX-DCAQKATOSA-N 0 3 242.363 0.848 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H](O)C1(C)C)N(C)C ZINC000428292477 201006327 /nfs/dbraw/zinc/00/63/27/201006327.db2.gz BXZHOAUJAKGVHX-MXWKQRLJSA-N 0 3 242.363 0.848 20 0 BCADHN NC1(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000353751126 181328101 /nfs/dbraw/zinc/32/81/01/181328101.db2.gz CJGGWMDCFGCNOE-AEJSXWLSSA-N 0 3 236.315 0.552 20 0 BCADHN COCC1CN(C(=O)CN(C)C(C)C)C1 ZINC000640556542 361306698 /nfs/dbraw/zinc/30/66/98/361306698.db2.gz KRQPZBBYLKYAPU-UHFFFAOYSA-N 0 3 214.309 0.431 20 0 BCADHN CNC(=O)CN[C@]1(C)CCCC[C@@H]1C(=O)OC ZINC000428307503 201008054 /nfs/dbraw/zinc/00/80/54/201008054.db2.gz VCXIQPRDRHKTSC-BXKDBHETSA-N 0 3 242.319 0.444 20 0 BCADHN NC1(C(=O)NCc2ccccn2)CCCC1 ZINC000037479404 181328323 /nfs/dbraw/zinc/32/83/23/181328323.db2.gz JJSBJLGPGHBYPL-UHFFFAOYSA-N 0 3 219.288 0.969 20 0 BCADHN Cc1ccc(CCNC(=O)COC2CNC2)cn1 ZINC000579118606 366716226 /nfs/dbraw/zinc/71/62/26/366716226.db2.gz FWDLRRZURORWKB-UHFFFAOYSA-N 0 3 249.314 0.037 20 0 BCADHN CC(=O)N1CC(N[C@H]2COC(C)(C)C2)C1 ZINC000579128370 366718973 /nfs/dbraw/zinc/71/89/73/366718973.db2.gz PNRQHXPKTLJECC-SECBINFHSA-N 0 3 212.293 0.374 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)[C@H](N)CCSC ZINC000579235362 366728363 /nfs/dbraw/zinc/72/83/63/366728363.db2.gz HOPOGQMQOJCYCS-XHNCKOQMSA-N 0 3 234.365 0.606 20 0 BCADHN CNC(=O)CN[C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000428404567 201013689 /nfs/dbraw/zinc/01/36/89/201013689.db2.gz VOKUBZCHAFWPSQ-GWCFXTLKSA-N 0 3 242.363 0.899 20 0 BCADHN CCO[C@@H]1C[C@@H]1NC(=O)CN(CC)CC ZINC000579207993 366733742 /nfs/dbraw/zinc/73/37/42/366733742.db2.gz LRPWTYQPUQEVBV-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1CN(CC2(CO)COC2)CC2(CCC2)O1 ZINC000579227136 366738348 /nfs/dbraw/zinc/73/83/48/366738348.db2.gz ODMIJSITTXWVCL-LLVKDONJSA-N 0 3 241.331 0.639 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)CN(C)C(C)C ZINC000067571727 370685562 /nfs/dbraw/zinc/68/55/62/370685562.db2.gz OOEJXRPWCKMDTM-GFCCVEGCSA-N 0 3 241.379 0.927 20 0 BCADHN CNC(=O)CN([C@@H](C)CO)C1CCCC1 ZINC000428483547 201023893 /nfs/dbraw/zinc/02/38/93/201023893.db2.gz OJBHYBFVNCQSLY-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN CNC(=O)CN1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000428485227 201024939 /nfs/dbraw/zinc/02/49/39/201024939.db2.gz TXTOFMQYRPKOEC-AEJSXWLSSA-N 0 3 214.309 0.214 20 0 BCADHN CNCc1ccccc1NC(=O)[C@H](C)NC(C)=O ZINC000428560670 201028051 /nfs/dbraw/zinc/02/80/51/201028051.db2.gz OWULYMNVMLQUPU-VIFPVBQESA-N 0 3 249.314 0.869 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cc(F)c[nH]c1=O ZINC000622053095 370684637 /nfs/dbraw/zinc/68/46/37/370684637.db2.gz KTHUNLMEJASMIV-ZETCQYMHSA-N 0 3 241.266 0.606 20 0 BCADHN CNCc1cccc(NC(=O)[C@H](C)NC(C)=O)c1 ZINC000428309422 201008447 /nfs/dbraw/zinc/00/84/47/201008447.db2.gz CRCYWOHTHGBFEC-VIFPVBQESA-N 0 3 249.314 0.869 20 0 BCADHN CNC(=O)CN(CCO)[C@H]1CC[C@H](C)C1 ZINC000428960363 201051274 /nfs/dbraw/zinc/05/12/74/201051274.db2.gz BNMQIPYTQKSDHD-UWVGGRQHSA-N 0 3 214.309 0.215 20 0 BCADHN NC1(C(=O)Nn2cnc3ccccc32)CCC1 ZINC000295844007 181329696 /nfs/dbraw/zinc/32/96/96/181329696.db2.gz WCEWJWIETNZOAH-UHFFFAOYSA-N 0 3 230.271 0.988 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@H](O)[C@H](C)C1)N(C)C ZINC000428681202 201036261 /nfs/dbraw/zinc/03/62/61/201036261.db2.gz OXZQDIFCQPQKGJ-GRYCIOLGSA-N 0 3 242.363 0.802 20 0 BCADHN NC1(C(=O)Nn2cnc3ccccc32)CC1 ZINC000150765672 181329276 /nfs/dbraw/zinc/32/92/76/181329276.db2.gz KSZRWFLTHXWEIO-UHFFFAOYSA-N 0 3 216.244 0.598 20 0 BCADHN CCCCN(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428787354 201041726 /nfs/dbraw/zinc/04/17/26/201041726.db2.gz KFDGLBOOQSYYKE-JTQLQIEISA-N 0 3 234.365 0.752 20 0 BCADHN Cc1nc(C)c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)[nH]1 ZINC000622063528 370688299 /nfs/dbraw/zinc/68/82/99/370688299.db2.gz LBRNWFGKOMOKDE-WDEREUQCSA-N 0 3 248.330 0.803 20 0 BCADHN CCOC(=O)COCCN1CC[C@H](O)C[C@@H]1C ZINC000429167342 201071459 /nfs/dbraw/zinc/07/14/59/201071459.db2.gz LEMRRGUUBPXWND-QWRGUYRKSA-N 0 3 245.319 0.411 20 0 BCADHN CCOC(=O)CC1(NCC(=O)NC)CCCC1 ZINC000428948258 201052585 /nfs/dbraw/zinc/05/25/85/201052585.db2.gz RUWVDJRPNKCDFC-UHFFFAOYSA-N 0 3 242.319 0.588 20 0 BCADHN C[C@@H]1C[C@@H]1N1CCN(CC(N)=O)C[C@@H](C)C1 ZINC000428990495 201059663 /nfs/dbraw/zinc/05/96/63/201059663.db2.gz GGHVCFQGGUNMHB-MXWKQRLJSA-N 0 3 225.336 0.134 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H]1CCCC(=O)N1 ZINC000309858226 491157507 /nfs/dbraw/zinc/15/75/07/491157507.db2.gz LKHPHKLKGUVXIT-JTQLQIEISA-N 0 3 222.292 0.476 20 0 BCADHN CC[C@@H]1CN(C)CCCN1C(=O)c1ncc[nH]1 ZINC000614330261 363787127 /nfs/dbraw/zinc/78/71/27/363787127.db2.gz KWDNDPGBKATENO-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN CCCN(CC(N)=O)C[C@@H](O)CC(F)(F)F ZINC000429142993 201074637 /nfs/dbraw/zinc/07/46/37/201074637.db2.gz OAUKDIZCMSTQFA-ZETCQYMHSA-N 0 3 242.241 0.497 20 0 BCADHN CCCN(CCC(=O)NC(C)C)CC(N)=O ZINC000429161482 201077150 /nfs/dbraw/zinc/07/71/50/201077150.db2.gz VUXJPTYYZXUUDA-UHFFFAOYSA-N 0 3 229.324 0.098 20 0 BCADHN CNS(=O)(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000429244945 201080370 /nfs/dbraw/zinc/08/03/70/201080370.db2.gz MTHGGJFFGBOXOW-ZJUUUORDSA-N 0 3 249.380 0.161 20 0 BCADHN C[C@@H]1CN(CCN(C)C2(CO)CCC2)CCO1 ZINC000429253212 201084825 /nfs/dbraw/zinc/08/48/25/201084825.db2.gz ATDRNLVZWJPVJX-GFCCVEGCSA-N 0 3 242.363 0.554 20 0 BCADHN COC(=O)[C@H]1CCN([C@H](C)C(N)=O)[C@H]1C(C)C ZINC000429368376 201105091 /nfs/dbraw/zinc/10/50/91/201105091.db2.gz WGJSUJGJANRSSC-UTLUCORTSA-N 0 3 242.319 0.380 20 0 BCADHN CC[C@H]1CN(C)CCN1CCN1CCCC1=O ZINC000579310782 366757174 /nfs/dbraw/zinc/75/71/74/366757174.db2.gz XAEZDZJDXQWKGJ-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CC[C@@H](N)C(=O)N[C@](CC)(C(N)=O)C(C)C ZINC000579355560 366767830 /nfs/dbraw/zinc/76/78/30/366767830.db2.gz QFHXKDUFLUBQDB-KCJUWKMLSA-N 0 3 229.324 0.130 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000579355346 366768160 /nfs/dbraw/zinc/76/81/60/366768160.db2.gz FXYZUOFPIPKINJ-PSASIEDQSA-N 0 3 222.292 0.811 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000579355347 366768199 /nfs/dbraw/zinc/76/81/99/366768199.db2.gz FXYZUOFPIPKINJ-SCZZXKLOSA-N 0 3 222.292 0.811 20 0 BCADHN CNC(=O)CN1CCC[C@H](CSC)C1 ZINC000429290167 201094404 /nfs/dbraw/zinc/09/44/04/201094404.db2.gz DDEZKNUFGBDFFD-VIFPVBQESA-N 0 3 216.350 0.807 20 0 BCADHN C([C@@H]1CCOC1)N1CCc2nn[nH]c2C1 ZINC000429294752 201096497 /nfs/dbraw/zinc/09/64/97/201096497.db2.gz OTQKZYPLFDUMIO-QMMMGPOBSA-N 0 3 208.265 0.199 20 0 BCADHN C([C@@H]1CCOC1)N1CCc2n[nH]nc2C1 ZINC000429294752 201096499 /nfs/dbraw/zinc/09/64/99/201096499.db2.gz OTQKZYPLFDUMIO-QMMMGPOBSA-N 0 3 208.265 0.199 20 0 BCADHN CN[C@@H](C)C(=O)N1CCOC2(CCCC2)C1 ZINC000579372408 366772698 /nfs/dbraw/zinc/77/26/98/366772698.db2.gz DTALWEYSZSJOGG-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)C1(CNC(=O)COC2CNC2)CC1 ZINC000429990878 201137040 /nfs/dbraw/zinc/13/70/40/201137040.db2.gz KNVROEISHLJOQB-UHFFFAOYSA-N 0 3 226.320 0.527 20 0 BCADHN CN(C(=O)COC1CNC1)c1ccc(F)cc1 ZINC000429686021 201126823 /nfs/dbraw/zinc/12/68/23/201126823.db2.gz QNQFDXYFEIHQBV-UHFFFAOYSA-N 0 3 238.262 0.777 20 0 BCADHN C[C@@H](CNC(=O)COC1CNC1)c1ccccc1 ZINC000429731806 201128611 /nfs/dbraw/zinc/12/86/11/201128611.db2.gz MXDCYOFCXPHAKB-NSHDSACASA-N 0 3 248.326 0.895 20 0 BCADHN C[C@@H]1CCC[C@H](NC(=O)COC2CNC2)[C@H]1C 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BCADHN NCC(=O)NCCSc1ccccc1 ZINC000037855011 181351999 /nfs/dbraw/zinc/35/19/99/181351999.db2.gz BPVXURDXESPXNS-UHFFFAOYSA-N 0 3 210.302 0.854 20 0 BCADHN O=C(c1cc[nH]c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000627259280 363900367 /nfs/dbraw/zinc/90/03/67/363900367.db2.gz QKHMJMZXSFTRJQ-VXGBXAGGSA-N 0 3 249.314 0.296 20 0 BCADHN NCC(=O)NCCCOCCc1ccccc1 ZINC000237967268 181352358 /nfs/dbraw/zinc/35/23/58/181352358.db2.gz PYBDDRUGKORRHD-UHFFFAOYSA-N 0 3 236.315 0.711 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CCCCN1 ZINC000614738909 363948182 /nfs/dbraw/zinc/94/81/82/363948182.db2.gz ITUKKZREUMLJOQ-NSHDSACASA-N 0 3 225.336 0.988 20 0 BCADHN NCC(=O)NC[C@H](CO)Cc1ccc(F)cc1 ZINC000269106328 181352784 /nfs/dbraw/zinc/35/27/84/181352784.db2.gz URHIMLJCBIOICM-SNVBAGLBSA-N 0 3 240.278 0.052 20 0 BCADHN C[C@H]1C[C@H](C)N(S(=O)(=O)CCCN(C)C)C1 ZINC000632019538 363923758 /nfs/dbraw/zinc/92/37/58/363923758.db2.gz YJYKRWZIRYULHM-QWRGUYRKSA-N 0 3 248.392 0.998 20 0 BCADHN NCC(=O)NCC1(c2ccccc2)CC1 ZINC000082254589 181352105 /nfs/dbraw/zinc/35/21/05/181352105.db2.gz KEHNCBPNNBBTEE-UHFFFAOYSA-N 0 3 204.273 0.793 20 0 BCADHN CCC1(C(=O)N[C@@H](CO)CN(C)C)CCC1 ZINC000614845764 363993409 /nfs/dbraw/zinc/99/34/09/363993409.db2.gz DSNXOVPDMAMJIW-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1Cc2ccccc21 ZINC000614844948 363993838 /nfs/dbraw/zinc/99/38/38/363993838.db2.gz AXOLTHSHTGXAFU-WCQYABFASA-N 0 3 248.326 0.365 20 0 BCADHN Cc1cc(C(=O)N[C@H](CO)CN(C)C)oc1C ZINC000614847136 363994240 /nfs/dbraw/zinc/99/42/40/363994240.db2.gz KDAWGLPARPZPLT-JTQLQIEISA-N 0 3 240.303 0.549 20 0 BCADHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)oc1C ZINC000614847142 363994475 /nfs/dbraw/zinc/99/44/75/363994475.db2.gz KDAWGLPARPZPLT-SNVBAGLBSA-N 0 3 240.303 0.549 20 0 BCADHN CCc1[nH]ccc1C(=O)N[C@H](CO)CN(C)C ZINC000614846212 363994964 /nfs/dbraw/zinc/99/49/64/363994964.db2.gz GFFOVEWEODGAGA-VIFPVBQESA-N 0 3 239.319 0.229 20 0 BCADHN C[C@H](C(=O)N[C@H](CO)CN(C)C)C1CCCC1 ZINC000614846335 363995181 /nfs/dbraw/zinc/99/51/81/363995181.db2.gz HJEVSRVCYDYVTM-JQWIXIFHSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H]1CC[C@H](CC(=O)N[C@@H](CO)CN(C)C)C1 ZINC000614847621 363995890 /nfs/dbraw/zinc/99/58/90/363995890.db2.gz MHJSXNXCRBVLRB-GRYCIOLGSA-N 0 3 242.363 0.851 20 0 BCADHN Cc1ccc(CC(=O)N[C@H](CO)CN(C)C)o1 ZINC000614847265 363996362 /nfs/dbraw/zinc/99/63/62/363996362.db2.gz KRQATAYZNRRLPI-JTQLQIEISA-N 0 3 240.303 0.169 20 0 BCADHN C[C@H](C(=O)N[C@@H](CO)CN(C)C)c1ccco1 ZINC000614847343 363996436 /nfs/dbraw/zinc/99/64/36/363996436.db2.gz LYUIRWQDVXBYDE-VHSXEESVSA-N 0 3 240.303 0.422 20 0 BCADHN C=C/C(C)=C\CC(=O)N[C@@H](CO)CN(C)C ZINC000614851043 364004015 /nfs/dbraw/zinc/00/40/15/364004015.db2.gz FBQPEXDHGICRDQ-SDKXAQGSSA-N 0 3 226.320 0.548 20 0 BCADHN C[C@@H]1CC[C@@H](C(=O)N[C@@H](CO)CN(C)C)C1 ZINC000614852814 364007064 /nfs/dbraw/zinc/00/70/64/364007064.db2.gz REMXXDIASHTNKX-GMTAPVOTSA-N 0 3 228.336 0.461 20 0 BCADHN Cc1cnccc1C(=O)N[C@H](CO)CN(C)C ZINC000614853446 364007975 /nfs/dbraw/zinc/00/79/75/364007975.db2.gz WCHJAERXUKIPNY-JTQLQIEISA-N 0 3 237.303 0.042 20 0 BCADHN COCCC[C@@H](C)C(=O)N[C@@H](CO)CN(C)C ZINC000614852988 364008144 /nfs/dbraw/zinc/00/81/44/364008144.db2.gz SKGJYYCHVFQTJI-GHMZBOCLSA-N 0 3 246.351 0.088 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCCCS1 ZINC000614853462 364008309 /nfs/dbraw/zinc/00/83/09/364008309.db2.gz WQOGBLMGEHKXSW-VHSXEESVSA-N 0 3 246.376 0.311 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000614859376 364015565 /nfs/dbraw/zinc/01/55/65/364015565.db2.gz YUOOLFYCTJSCEU-DDHJBXDOSA-N 0 3 240.347 0.461 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1C[C@@H](O)C12CCC2)N(C)C ZINC000619080848 363955341 /nfs/dbraw/zinc/95/53/41/363955341.db2.gz MJZFECHEKXQNAV-GMTAPVOTSA-N 0 3 240.347 0.746 20 0 BCADHN NCC(=O)N[C@@H]1COc2ccccc2C1 ZINC000083905376 181353523 /nfs/dbraw/zinc/35/35/23/181353523.db2.gz HJRBKSWCQWLIRN-VIFPVBQESA-N 0 3 206.245 0.065 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N(C)C1(CO)CC1 ZINC000614770223 363964642 /nfs/dbraw/zinc/96/46/42/363964642.db2.gz RYMSEUDWYSBZNJ-QWRGUYRKSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H](C(=O)N[C@@H](CO)CN(C)C)C1CCC1 ZINC000614858818 364012893 /nfs/dbraw/zinc/01/28/93/364012893.db2.gz RSGXDMCVMPIBKG-MWLCHTKSSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@@H](C(=O)N[C@H](CO)CN(C)C)C1CCC1 ZINC000614858817 364013064 /nfs/dbraw/zinc/01/30/64/364013064.db2.gz RSGXDMCVMPIBKG-KOLCDFICSA-N 0 3 228.336 0.461 20 0 BCADHN COC(=O)[C@@](C)(O)CN(C)CCOCC1CC1 ZINC000094990562 363984969 /nfs/dbraw/zinc/98/49/69/363984969.db2.gz FOKMEDIZOWRBCL-LBPRGKRZSA-N 0 3 245.319 0.269 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Cc1cscn1 ZINC000614838557 363990019 /nfs/dbraw/zinc/99/00/19/363990019.db2.gz KEPBNKOSQKEBFK-QMMMGPOBSA-N 0 3 227.333 0.752 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCc1ccon1 ZINC000614840500 363990814 /nfs/dbraw/zinc/99/08/14/363990814.db2.gz ZMYZDXXJKPDSBH-VIFPVBQESA-N 0 3 225.292 0.674 20 0 BCADHN NCC(=O)N[C@H]1C[C@]12CCOc1ccccc12 ZINC000373039774 181355545 /nfs/dbraw/zinc/35/55/45/181355545.db2.gz MTNRRSFKOAPADF-AAEUAGOBSA-N 0 3 232.283 0.554 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000630409268 364141701 /nfs/dbraw/zinc/14/17/01/364141701.db2.gz KGQNKANKVZNOPC-NWDGAFQWSA-N 0 3 240.347 0.727 20 0 BCADHN CC[C@H](C)NC(=O)c1cnn(CCN(C)C)c1 ZINC000630388341 364104396 /nfs/dbraw/zinc/10/43/96/364104396.db2.gz FLLYPAOJALFMFI-JTQLQIEISA-N 0 3 238.335 0.973 20 0 BCADHN C[C@H](C(=O)NCCN(C)C)c1ccncc1 ZINC000630408177 364139883 /nfs/dbraw/zinc/13/98/83/364139883.db2.gz IQCLKIQFLPRHON-JTQLQIEISA-N 0 3 221.304 0.863 20 0 BCADHN CN(C)CC(C)(C)NC(=O)Cc1cnn(C)c1 ZINC000622098783 370707081 /nfs/dbraw/zinc/70/70/81/370707081.db2.gz RFNSPRKDCUXKFK-UHFFFAOYSA-N 0 3 238.335 0.419 20 0 BCADHN Cc1c(C(=O)NC(C)(C)CN(C)C)nnn1C ZINC000622098497 370707104 /nfs/dbraw/zinc/70/71/04/370707104.db2.gz FIHRBRCTZQACGI-UHFFFAOYSA-N 0 3 239.323 0.194 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1cnco1 ZINC000622098430 370707265 /nfs/dbraw/zinc/70/72/65/370707265.db2.gz BHDDVNFZERHNIP-UHFFFAOYSA-N 0 3 211.265 0.745 20 0 BCADHN C[C@H](C(=O)NC(C)(C)CN(C)C)n1cncn1 ZINC000622098611 370707417 /nfs/dbraw/zinc/70/74/17/370707417.db2.gz KKXYCKXUZZYFAW-SECBINFHSA-N 0 3 239.323 0.296 20 0 BCADHN Cc1cn(C)nc1C(=O)NC(C)(C)CN(C)C ZINC000622098838 370707452 /nfs/dbraw/zinc/70/74/52/370707452.db2.gz UBKJZSCBGWMKRT-UHFFFAOYSA-N 0 3 238.335 0.799 20 0 BCADHN CN(C)CC(C)(C)NC(=O)[C@@H]1CCC(=O)N1C ZINC000622098460 370707630 /nfs/dbraw/zinc/70/76/30/370707630.db2.gz CHBYMCPMDOYMCR-VIFPVBQESA-N 0 3 241.335 0.064 20 0 BCADHN Cn1ccc(CN(CCO)C2CC2)cc1=O ZINC000079990295 370712264 /nfs/dbraw/zinc/71/22/64/370712264.db2.gz VEDBSZHMFZUSPG-UHFFFAOYSA-N 0 3 222.288 0.342 20 0 BCADHN NCC(F)(F)CNC(=O)c1[nH]nc2c1CCC2 ZINC000275123434 181357463 /nfs/dbraw/zinc/35/74/63/181357463.db2.gz KDIMCZJDXFXDIP-UHFFFAOYSA-N 0 3 244.245 0.222 20 0 BCADHN Cc1nccc(C(=O)NC[C@@H](C)N2CCCC2)n1 ZINC000068064433 370735398 /nfs/dbraw/zinc/73/53/98/370735398.db2.gz ZNVWFDKGNTXOPY-SNVBAGLBSA-N 0 3 248.330 0.999 20 0 BCADHN CCOC1CCN(C[C@@](C)(O)C(=O)OC)CC1 ZINC000080210109 370736786 /nfs/dbraw/zinc/73/67/86/370736786.db2.gz OAIWGCQNBDFIQK-GFCCVEGCSA-N 0 3 245.319 0.411 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H](C)N1CCCC1 ZINC000068064428 370737769 /nfs/dbraw/zinc/73/77/69/370737769.db2.gz HTHNFAMSYFZNGB-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN C[C@H](N[C@H]1C[C@@H](CO)C1)c1cnn(C)c1 ZINC000631670796 364232508 /nfs/dbraw/zinc/23/25/08/364232508.db2.gz XYNYOMXFUDZORB-ATZCPNFKSA-N 0 3 209.293 0.842 20 0 BCADHN CNC(=O)CCN(C)CCOC(C)(C)C ZINC000170793281 364245018 /nfs/dbraw/zinc/24/50/18/364245018.db2.gz YZVXZUKIQZVZPP-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN CN1CCC(NC(=O)C2CSC2)CC1 ZINC000630562758 364261468 /nfs/dbraw/zinc/26/14/68/364261468.db2.gz AWOWEHHYABUSFX-UHFFFAOYSA-N 0 3 214.334 0.560 20 0 BCADHN Cc1conc1C(=O)NC1CCN(C)CC1 ZINC000630561082 364262416 /nfs/dbraw/zinc/26/24/16/364262416.db2.gz BOZDCDRQRXTIND-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H](C)[C@@H](CO)C1)N(C)C ZINC000622224153 370774869 /nfs/dbraw/zinc/77/48/69/370774869.db2.gz SFJLRXAHEXGLHN-IJLUTSLNSA-N 0 3 242.363 0.804 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)C1CSC1 ZINC000630572962 364268672 /nfs/dbraw/zinc/26/86/72/364268672.db2.gz RDPBYTQLCLGUQA-SNVBAGLBSA-N 0 3 228.361 0.950 20 0 BCADHN O=C(NCCN1CCCC1)C1CSC1 ZINC000630573230 364270477 /nfs/dbraw/zinc/27/04/77/364270477.db2.gz FRWPBORUMCAHJD-UHFFFAOYSA-N 0 3 214.334 0.561 20 0 BCADHN CC[C@@](C)(N)c1cn(C[C@H]2COCCO2)nn1 ZINC000630600915 364319970 /nfs/dbraw/zinc/31/99/70/364319970.db2.gz FCXUFZDIILJAGG-GXSJLCMTSA-N 0 3 240.307 0.277 20 0 BCADHN CCC[C@@H](N)c1cn(C[C@@H]2COCCO2)nn1 ZINC000630601257 364322025 /nfs/dbraw/zinc/32/20/25/364322025.db2.gz ILZXDSSFDWNAHR-NXEZZACHSA-N 0 3 240.307 0.493 20 0 BCADHN CC(C(=O)Nc1nnc2[nH]cnn12)C(F)(F)F ZINC000614990362 364279304 /nfs/dbraw/zinc/27/93/04/364279304.db2.gz BEIRRRGWTDCSLY-VKHMYHEASA-N 0 3 248.168 0.589 20 0 BCADHN CC(C(=O)Nc1nnc2[nH]cnn12)C(F)(F)F ZINC000614990360 364279318 /nfs/dbraw/zinc/27/93/18/364279318.db2.gz BEIRRRGWTDCSLY-GSVOUGTGSA-N 0 3 248.168 0.589 20 0 BCADHN CC(C)C[C@H]1CCN(CCNS(C)(=O)=O)C1 ZINC000074994447 364302276 /nfs/dbraw/zinc/30/22/76/364302276.db2.gz OGHHPHPQXAUKCN-LLVKDONJSA-N 0 3 248.392 0.904 20 0 BCADHN COC[C@@H](N)Cc1cn(C2CCCC2)nn1 ZINC000630595597 364309216 /nfs/dbraw/zinc/30/92/16/364309216.db2.gz QIXRHVYLCBGQDZ-VIFPVBQESA-N 0 3 224.308 0.909 20 0 BCADHN C[C@H]1CCN(CC(=O)NCc2c[nH]c(=O)[nH]2)C1 ZINC000614996770 364309743 /nfs/dbraw/zinc/30/97/43/364309743.db2.gz NHPYEWBSIHESAI-QMMMGPOBSA-N 0 3 238.291 0.073 20 0 BCADHN c1cn(Cc2cn(CCN3CCCC3)nn2)cn1 ZINC000630618296 364354043 /nfs/dbraw/zinc/35/40/43/364354043.db2.gz UMPJLUIFKXWDHC-UHFFFAOYSA-N 0 3 246.318 0.619 20 0 BCADHN CC(C)/C=C/c1cn(C[C@H]2CNCCO2)nn1 ZINC000630616801 364354309 /nfs/dbraw/zinc/35/43/09/364354309.db2.gz NLPMPYGWEZSIOV-AAOUONPWSA-N 0 3 236.319 0.936 20 0 BCADHN COC[C@@H](N)Cc1cn(-c2ccc(C)cn2)nn1 ZINC000630619178 364356651 /nfs/dbraw/zinc/35/66/51/364356651.db2.gz KUKMKMCMUUEQOO-JTQLQIEISA-N 0 3 247.302 0.487 20 0 BCADHN CN(C)C(=O)c1cn(CCN2CCCC2)nn1 ZINC000630619273 364357136 /nfs/dbraw/zinc/35/71/36/364357136.db2.gz MWECMIQLSRPRCA-UHFFFAOYSA-N 0 3 237.307 0.076 20 0 BCADHN CCN(CC)C(=O)CN[C@@H]1CCO[C@@H]1C ZINC000134002017 364380237 /nfs/dbraw/zinc/38/02/37/364380237.db2.gz HLLYUOUCTUSHEL-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H](O)CN[C@@](C)(COC)CC(=O)OC ZINC000134035173 364384270 /nfs/dbraw/zinc/38/42/70/364384270.db2.gz WDJKOQNHJKZVEA-GXSJLCMTSA-N 0 3 233.308 0.315 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCc2cn[nH]c2)C1 ZINC000615027070 364393001 /nfs/dbraw/zinc/39/30/01/364393001.db2.gz XPYPBIBIVORXAR-SNVBAGLBSA-N 0 3 236.319 0.410 20 0 BCADHN CO[C@H](C)[C@@H](C)NCC(=O)NCC1CC1 ZINC000134619551 364408819 /nfs/dbraw/zinc/40/88/19/364408819.db2.gz FYAYGYNJMWKBAB-RKDXNWHRSA-N 0 3 214.309 0.526 20 0 BCADHN c1c(-c2ccccn2)nnn1C[C@@H]1CNCCO1 ZINC000630616019 364351333 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ZINC000575847594 365381852 /nfs/dbraw/zinc/38/18/52/365381852.db2.gz LJPUOIYWUGLPAL-LLVKDONJSA-N 0 3 236.319 0.436 20 0 BCADHN CN(C(=O)Cn1ccnc1)[C@@H]1CN2CCC1CC2 ZINC000576046040 365462153 /nfs/dbraw/zinc/46/21/53/365462153.db2.gz AZUQGRRLJVKOAT-GFCCVEGCSA-N 0 3 248.330 0.436 20 0 BCADHN CN(C(=O)Cn1ccnc1)[C@H]1CN2CCC1CC2 ZINC000576046041 365462436 /nfs/dbraw/zinc/46/24/36/365462436.db2.gz AZUQGRRLJVKOAT-LBPRGKRZSA-N 0 3 248.330 0.436 20 0 BCADHN COC[C@@H](C(N)=O)N(C)C[C@@H]1CCO[C@H](C)C1 ZINC000575970873 365429988 /nfs/dbraw/zinc/42/99/88/365429988.db2.gz FNLXGBMTOXBQCQ-MXWKQRLJSA-N 0 3 244.335 0.234 20 0 BCADHN CC[C@H]1CN(C)CCN1CCCC(=O)N(C)C ZINC000576000230 365443475 /nfs/dbraw/zinc/44/34/75/365443475.db2.gz YINOQDGPTGJFRA-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCC(C)(C)C1 ZINC000173815059 365448759 /nfs/dbraw/zinc/44/87/59/365448759.db2.gz QTICGCDKFGRCJO-SSDOTTSWSA-N 0 3 213.281 0.302 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](C)N1CCCCC1=O ZINC000564568820 325796375 /nfs/dbraw/zinc/79/63/75/325796375.db2.gz WONWCCUTFOZCDA-ZJUUUORDSA-N 0 3 241.335 0.241 20 0 BCADHN NC1(C(=O)N[C@H]2CCc3n[nH]cc3C2)CCC1 ZINC000576105878 365487633 /nfs/dbraw/zinc/48/76/33/365487633.db2.gz YTMGZJOAOPNHQA-VIFPVBQESA-N 0 3 234.303 0.265 20 0 BCADHN C[C@H](CNCCC(F)(F)F)S(C)(=O)=O ZINC000576149067 365500230 /nfs/dbraw/zinc/50/02/30/365500230.db2.gz HVLCBKCNOGNKET-ZCFIWIBFSA-N 0 3 233.255 0.962 20 0 BCADHN Cc1cscc1CNCCC(=O)NC(N)=O ZINC000576150255 365501562 /nfs/dbraw/zinc/50/15/62/365501562.db2.gz KMNKAKHNHHJOIJ-UHFFFAOYSA-N 0 3 241.316 0.731 20 0 BCADHN C[C@H](c1ccccc1)[C@@H](O)CNC[C@@H](O)CO ZINC000564974004 325836955 /nfs/dbraw/zinc/83/69/55/325836955.db2.gz AVJLNIKWWRALCI-RTXFEEFZSA-N 0 3 239.315 0.094 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc2nccn2c1 ZINC000579705624 366985774 /nfs/dbraw/zinc/98/57/74/366985774.db2.gz OCJMVKNNSPWFBS-SECBINFHSA-N 0 3 234.259 0.247 20 0 BCADHN CO[C@@H](CN[C@@H]1COC[C@H]1OC)C1CC1 ZINC000579708492 366986911 /nfs/dbraw/zinc/98/69/11/366986911.db2.gz HUTKZAOZQKDPCP-OUAUKWLOSA-N 0 3 215.293 0.415 20 0 BCADHN Cc1cccc(C)c1OCCNC(CO)CO ZINC000579727220 366992787 /nfs/dbraw/zinc/99/27/87/366992787.db2.gz BAVDQLBMEWRKMP-UHFFFAOYSA-N 0 3 239.315 0.625 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N1CC[C@@H](C)[C@H]1C ZINC000177881816 134304292 /nfs/dbraw/zinc/30/42/92/134304292.db2.gz WAYXKPBWYOJLBA-BBBLOLIVSA-N 0 3 242.319 0.394 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1nc2cccnc2[nH]1 ZINC000579829983 367036020 /nfs/dbraw/zinc/03/60/20/367036020.db2.gz BBNSMTONBZDQMS-QMMMGPOBSA-N 0 3 233.275 0.880 20 0 BCADHN CC(C)NC(=O)NCCN(C)CC1(O)CCC1 ZINC000579832260 367036047 /nfs/dbraw/zinc/03/60/47/367036047.db2.gz SQQYIOYMLBYEHR-UHFFFAOYSA-N 0 3 243.351 0.541 20 0 BCADHN CCOC[C@H](O)CN[C@@H](CC)[C@H](O)C(F)F ZINC000579834524 367038406 /nfs/dbraw/zinc/03/84/06/367038406.db2.gz YVQBQWSXUPIZNB-VGMNWLOBSA-N 0 3 241.278 0.378 20 0 BCADHN CC(C)C[C@@H](C)CN[C@]1(C(N)=O)CCOC1 ZINC000579854611 367044971 /nfs/dbraw/zinc/04/49/71/367044971.db2.gz GDMOQPCTNCFKLC-ZYHUDNBSSA-N 0 3 228.336 0.903 20 0 BCADHN CC(C)[C@@H](O)C(=O)NCCN1CC[C@H](C)C1 ZINC000579869814 367058803 /nfs/dbraw/zinc/05/88/03/367058803.db2.gz WLXDHAJCKVXQQB-WDEREUQCSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@H](NC(=O)N1CCN(C)C[C@H]1CN)C1CC1 ZINC000580762695 367066140 /nfs/dbraw/zinc/06/61/40/367066140.db2.gz AABJTQJDGZLEBZ-GXSJLCMTSA-N 0 3 240.351 0.069 20 0 BCADHN COc1cccc(CN[C@@]2(CO)CCOC2)c1 ZINC000184193244 367069132 /nfs/dbraw/zinc/06/91/32/367069132.db2.gz DDHJOPFAUDORTD-CYBMUJFWSA-N 0 3 237.299 0.936 20 0 BCADHN COc1cccc(CN[C@]2(CO)CCOC2)c1 ZINC000184193227 367069435 /nfs/dbraw/zinc/06/94/35/367069435.db2.gz DDHJOPFAUDORTD-ZDUSSCGKSA-N 0 3 237.299 0.936 20 0 BCADHN CC1(C)CN(c2ncnc(N)c2Cl)CCN1 ZINC000580704755 367147054 /nfs/dbraw/zinc/14/70/54/367147054.db2.gz HYCBYVYAXXYVJV-UHFFFAOYSA-N 0 3 241.726 0.900 20 0 BCADHN CC[C@H]1[C@@H](C)CCN1CC(=O)NC(=O)NC ZINC000185591740 367138441 /nfs/dbraw/zinc/13/84/41/367138441.db2.gz RHJCQYANILEGMK-IUCAKERBSA-N 0 3 227.308 0.562 20 0 BCADHN C[NH2+]CCCC(=O)NCc1ncccc1[O-] ZINC000579954758 367101105 /nfs/dbraw/zinc/10/11/05/367101105.db2.gz UBMPYXBJMLNAQY-UHFFFAOYSA-N 0 3 223.276 0.403 20 0 BCADHN CCC[C@@H](C)[C@H](CO)NCC(=O)NC1CC1 ZINC000579957493 367102163 /nfs/dbraw/zinc/10/21/63/367102163.db2.gz CJVUYNLCSSVTHV-KOLCDFICSA-N 0 3 228.336 0.652 20 0 BCADHN CC(C)CN(C)C(=O)[C@@]1(F)CCNC1 ZINC000368452835 367107181 /nfs/dbraw/zinc/10/71/81/367107181.db2.gz FYADKHYXYMRKGT-SNVBAGLBSA-N 0 3 202.273 0.802 20 0 BCADHN C[C@@H](NCCN1C(=O)CNC1=O)c1ccoc1 ZINC000184912885 367108198 /nfs/dbraw/zinc/10/81/98/367108198.db2.gz XVCRKBLSEUCXHX-MRVPVSSYSA-N 0 3 237.259 0.482 20 0 BCADHN O=C1NCC[C@H]1CCN1CCO[C@H](C2CC2)C1 ZINC000580722216 367150830 /nfs/dbraw/zinc/15/08/30/367150830.db2.gz DHCCMJQRRZMCQK-RYUDHWBXSA-N 0 3 238.331 0.623 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2N)C[C@H](C)O1 ZINC000580957975 367218326 /nfs/dbraw/zinc/21/83/26/367218326.db2.gz TVGURHSSVGZXNH-ZOZBQHSOSA-N 0 3 212.293 0.406 20 0 BCADHN CC[C@H]1CN(C)CCN1CCC(=O)N(C)CC ZINC000581008311 367233162 /nfs/dbraw/zinc/23/31/62/367233162.db2.gz UVHFGVMPWSAXQJ-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000581010348 367233637 /nfs/dbraw/zinc/23/36/37/367233637.db2.gz JWRGHSJUNSYFLI-MRVPVSSYSA-N 0 3 245.286 0.768 20 0 BCADHN O=C([C@H]1CCCCN1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000581074071 367253789 /nfs/dbraw/zinc/25/37/89/367253789.db2.gz MTAUHCFISATQTL-UTUOFQBUSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@H]1CCN(CC(=O)N2C[C@@H](O)C3(CC3)C2)C1 ZINC000581081303 367258727 /nfs/dbraw/zinc/25/87/27/367258727.db2.gz HTSZZSQTSNYTKP-WDEREUQCSA-N 0 3 238.331 0.312 20 0 BCADHN CN(C[C@@H]1CCCN1C)c1ccncc1C(N)=O ZINC000581303681 367332314 /nfs/dbraw/zinc/33/23/14/367332314.db2.gz QIJDKRXEGLBRDC-JTQLQIEISA-N 0 3 248.330 0.711 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)[C@H](N)C(C)C ZINC000381043951 367340609 /nfs/dbraw/zinc/34/06/09/367340609.db2.gz CUVHWXBVPGZJLP-OPRDCNLKSA-N 0 3 216.325 0.493 20 0 BCADHN CO[C@H](CNC(=O)CNC1CC1)C(C)C ZINC000381158504 367357220 /nfs/dbraw/zinc/35/72/20/367357220.db2.gz NCCQTDNTMYWDMC-SNVBAGLBSA-N 0 3 214.309 0.526 20 0 BCADHN CO[C@@H](CNC(=O)CNC1CC1)C(C)C ZINC000381158503 367357462 /nfs/dbraw/zinc/35/74/62/367357462.db2.gz NCCQTDNTMYWDMC-JTQLQIEISA-N 0 3 214.309 0.526 20 0 BCADHN CN(Cc1cn2c(n1)CCCC2)C(=O)CN ZINC000581251925 367309088 /nfs/dbraw/zinc/30/90/88/367309088.db2.gz FRWCZPKNMVANJL-UHFFFAOYSA-N 0 3 222.292 0.137 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)C(C)(C)CO)C1 ZINC000581285855 367317446 /nfs/dbraw/zinc/31/74/46/367317446.db2.gz UAMFLMJDMWXGMX-LLVKDONJSA-N 0 3 242.363 0.853 20 0 BCADHN CN(C)C(=O)C(C)(C)NCCOCC(F)F ZINC000381447869 367406395 /nfs/dbraw/zinc/40/63/95/367406395.db2.gz GKODQEAGHZJVOG-UHFFFAOYSA-N 0 3 238.278 0.725 20 0 BCADHN Cn1nccc1C(=O)NC[C@H]1CCCN1C ZINC000195449142 367361478 /nfs/dbraw/zinc/36/14/78/367361478.db2.gz YWYIZPADUFTUBV-SECBINFHSA-N 0 3 222.292 0.244 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](OC)C(C)C ZINC000381208388 367364666 /nfs/dbraw/zinc/36/46/66/367364666.db2.gz XCIJJUYCFOYLFQ-DTWKUNHWSA-N 0 3 202.298 0.382 20 0 BCADHN C[C@H](CN[C@H]1CCN(C)[C@H](C)C1)S(C)(=O)=O ZINC000381531716 367425778 /nfs/dbraw/zinc/42/57/78/367425778.db2.gz ZJTWUDYUPLZZHN-MXWKQRLJSA-N 0 3 248.392 0.492 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC(=O)N(C)C(C)(C)C ZINC000382039592 367481718 /nfs/dbraw/zinc/48/17/18/367481718.db2.gz TYCPEAGHKBHCDN-JTQLQIEISA-N 0 3 243.351 0.343 20 0 BCADHN CCn1nccc1NC(=O)CNC1CC1 ZINC000381561300 367431298 /nfs/dbraw/zinc/43/12/98/367431298.db2.gz RIILDSUDLQPLJN-UHFFFAOYSA-N 0 3 208.265 0.594 20 0 BCADHN FC(F)[C@@H]1CNCCN1Cc1ccno1 ZINC000381577346 367432575 /nfs/dbraw/zinc/43/25/75/367432575.db2.gz BYOYGCODJNAELZ-QMMMGPOBSA-N 0 3 217.219 0.714 20 0 BCADHN FC(F)[C@H]1CNCCN1C[C@H]1CCOC1 ZINC000381632155 367441412 /nfs/dbraw/zinc/44/14/12/367441412.db2.gz RKLKJEAVXLZPNK-RKDXNWHRSA-N 0 3 220.263 0.562 20 0 BCADHN C[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)[C@H](C)[NH3+] ZINC000381668693 367446207 /nfs/dbraw/zinc/44/62/07/367446207.db2.gz BONGBVKPEHXZQG-NKWVEPMBSA-N 0 3 247.295 0.235 20 0 BCADHN CCc1cc(CNC(=O)C(C)(C)N)on1 ZINC000381723780 367451916 /nfs/dbraw/zinc/45/19/16/367451916.db2.gz MHHWPUIAJMLCPB-UHFFFAOYSA-N 0 3 211.265 0.591 20 0 BCADHN CO[C@H]1CCC[C@H]1CNCc1cnnn1C ZINC000381766863 367455574 /nfs/dbraw/zinc/45/55/74/367455574.db2.gz VJPWRSCGJUUVGT-ONGXEEELSA-N 0 3 224.308 0.720 20 0 BCADHN COCCN(C)CCNC(=O)c1conc1C ZINC000630897224 367529066 /nfs/dbraw/zinc/52/90/66/367529066.db2.gz YVJTVDOOUUQLNZ-UHFFFAOYSA-N 0 3 241.291 0.291 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCC[C@@H]2CO)C1 ZINC000581506027 367531483 /nfs/dbraw/zinc/53/14/83/367531483.db2.gz NRTSBANKHAZIQT-WDEREUQCSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)[C@@H]1CCOC1 ZINC000382922029 367567576 /nfs/dbraw/zinc/56/75/76/367567576.db2.gz CMHQSOXJPQZUIW-WCBMZHEXSA-N 0 3 212.293 0.374 20 0 BCADHN CN(C)c1ncc(CNCCCF)n1C ZINC000382359870 367510539 /nfs/dbraw/zinc/51/05/39/367510539.db2.gz MXJOLWDCLQEXGA-UHFFFAOYSA-N 0 3 214.288 0.935 20 0 BCADHN CNC(=O)C[C@@H](C)N[C@@H]1C=C[C@H](CO)C1 ZINC000382344688 367511300 /nfs/dbraw/zinc/51/13/00/367511300.db2.gz DJVOQPJYEWKBBN-KXUCPTDWSA-N 0 3 212.293 0.038 20 0 BCADHN C[C@@H](O)[C@H](C)NCc1ccc(C(N)=O)nc1 ZINC000581484051 367514744 /nfs/dbraw/zinc/51/47/44/367514744.db2.gz RPAFPFZXZRAWQV-JGVFFNPUSA-N 0 3 223.276 0.039 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCC1CCOCC1 ZINC000382922314 367567410 /nfs/dbraw/zinc/56/74/10/367567410.db2.gz CNRAPXLNDRALMM-SECBINFHSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@](O)(CN[C@@H]1C=C[C@H](CO)C1)C(F)(F)F ZINC000581489188 367520737 /nfs/dbraw/zinc/52/07/37/367520737.db2.gz PBXPIQJMAYQAKQ-DJLDLDEBSA-N 0 3 239.237 0.826 20 0 BCADHN Cc1nnsc1CN1C[C@H]2CCN(C)[C@H]2C1 ZINC000581491866 367521600 /nfs/dbraw/zinc/52/16/00/367521600.db2.gz KKXFYBUQSSSVIZ-ZJUUUORDSA-N 0 3 238.360 0.982 20 0 BCADHN COC1CCN(C(=O)[C@@H](C)NC2CC2)CC1 ZINC000382932418 367569136 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DBGGDIVBBBOFLK-SNVBAGLBSA-N 0 3 228.361 0.902 20 0 BCADHN CNC(=O)C(C)(C)CNC(=O)[C@@H](C)NC1CC1 ZINC000382991090 367583217 /nfs/dbraw/zinc/58/32/17/367583217.db2.gz YIYSDTNLIJDEMM-MRVPVSSYSA-N 0 3 241.335 0.015 20 0 BCADHN CCCN(CC(=O)NC)C(=O)[C@@H](C)NC1CC1 ZINC000382960758 367572936 /nfs/dbraw/zinc/57/29/36/367572936.db2.gz OKGQMWQBCXQGKM-SECBINFHSA-N 0 3 241.335 0.112 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC[C@H]1CCC[C@H]1O ZINC000382957289 367573734 /nfs/dbraw/zinc/57/37/34/367573734.db2.gz NIECWYPPQDJBPP-IQJOONFLSA-N 0 3 226.320 0.404 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000383214307 367607236 /nfs/dbraw/zinc/60/72/36/367607236.db2.gz ZNZIULMRQNYTAW-INTQDDNPSA-N 0 3 224.304 0.517 20 0 BCADHN CS[C@H](C)CNC(=O)[C@H](C)NC1CC1 ZINC000383063649 367593011 /nfs/dbraw/zinc/59/30/11/367593011.db2.gz PNTDUIOMYFOONK-SFYZADRCSA-N 0 3 216.350 0.995 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000383303930 367612461 /nfs/dbraw/zinc/61/24/61/367612461.db2.gz 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CC(C)N1CC[C@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC000616155899 368988433 /nfs/dbraw/zinc/98/84/33/368988433.db2.gz MRHLBALMPSSTJV-JTQLQIEISA-N 0 3 236.319 0.964 20 0 BCADHN CCOc1cncc(CN[C@H]2C[C@H](C(N)=O)C2)c1 ZINC000623661020 369070054 /nfs/dbraw/zinc/07/00/54/369070054.db2.gz FEHFWYHFQGZJJY-XYPYZODXSA-N 0 3 249.314 0.834 20 0 BCADHN CCCCN(CC(=O)N1CCNC1=O)C1CC1 ZINC000357554616 168787229 /nfs/dbraw/zinc/78/72/29/168787229.db2.gz RHGJKYDGBJLIBL-UHFFFAOYSA-N 0 3 239.319 0.803 20 0 BCADHN CCn1nccc1CN[C@H]1C[C@H](C(N)=O)C1 ZINC000623662590 369079188 /nfs/dbraw/zinc/07/91/88/369079188.db2.gz FAPKJLPYHBUOSZ-KYZUINATSA-N 0 3 222.292 0.257 20 0 BCADHN NC(=O)[C@H]1C[C@H](NCc2ccc(CO)o2)C1 ZINC000623662875 369079901 /nfs/dbraw/zinc/07/99/01/369079901.db2.gz ORTFPTJXLCQYLY-ZKCHVHJHSA-N 0 3 224.260 0.125 20 0 BCADHN NC(=O)[C@H]1C[C@H](NCc2cccc3c2OCO3)C1 ZINC000623663414 369086277 /nfs/dbraw/zinc/08/62/77/369086277.db2.gz JIIKGUSMHFLIJQ-MGCOHNPYSA-N 0 3 248.282 0.769 20 0 BCADHN 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ZINC000457990007 203123363 /nfs/dbraw/zinc/12/33/63/203123363.db2.gz AYDWEGYCKNYFEB-JTQLQIEISA-N 0 3 241.335 0.511 20 0 BCADHN CC(C)C[C@@H]1C[C@H]1NC(=O)C(C)S(C)(=O)=O ZINC000458001433 203124633 /nfs/dbraw/zinc/12/46/33/203124633.db2.gz ZJKVLEFSRDNKCM-OPRDCNLKSA-N 0 3 247.360 0.970 20 0 BCADHN CC[C@H](NC(=O)NC[C@H]1CCCN1C)[C@H](C)O ZINC000458021003 203126136 /nfs/dbraw/zinc/12/61/36/203126136.db2.gz UEGDTSGSXUMOCF-AXFHLTTASA-N 0 3 243.351 0.539 20 0 BCADHN CC[C@H](NC(=O)NC[C@@H]1CCCN1C)[C@@H](C)O ZINC000458021011 203126194 /nfs/dbraw/zinc/12/61/94/203126194.db2.gz UEGDTSGSXUMOCF-VWYCJHECSA-N 0 3 243.351 0.539 20 0 BCADHN CC[C@H](NC(=O)NC[C@@H]1CCCN1C)[C@H](C)O ZINC000458021006 203127308 /nfs/dbraw/zinc/12/73/08/203127308.db2.gz UEGDTSGSXUMOCF-DCAQKATOSA-N 0 3 243.351 0.539 20 0 BCADHN CC(C)N(C)CCNS(=O)(=O)CCCF ZINC000155609895 326203928 /nfs/dbraw/zinc/20/39/28/326203928.db2.gz VSHKBBCJCKHJBW-UHFFFAOYSA-N 0 3 240.344 0.606 20 0 BCADHN CCN(CCNC(=O)N[C@H]1C[C@@H](O)C1)C1CC1 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ZINC000458758291 203194071 /nfs/dbraw/zinc/19/40/71/203194071.db2.gz LGSGKZXOMYWNRP-ONGXEEELSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1CCOC1(C)C ZINC000458751689 203194216 /nfs/dbraw/zinc/19/42/16/203194216.db2.gz GQFLCLOCOIEWQS-UWVGGRQHSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1C[C@H](C)C[C@@H](O)C1 ZINC000458761553 203195461 /nfs/dbraw/zinc/19/54/61/203195461.db2.gz OJIPFVPAAJOULD-OUAUKWLOSA-N 0 3 243.351 0.349 20 0 BCADHN CO[C@H](CN)c1nc([C@H](N)CC(C)C)no1 ZINC000567587644 326223510 /nfs/dbraw/zinc/22/35/10/326223510.db2.gz ZCTJYMPAWZZEKA-HTQZYQBOSA-N 0 3 228.296 0.762 20 0 BCADHN C[C@H](CN1CCC(C)CC1)NC(=O)CN(C)C ZINC000618989587 369253195 /nfs/dbraw/zinc/25/31/95/369253195.db2.gz SIJTVPYKXLKWTR-GFCCVEGCSA-N 0 3 241.379 0.785 20 0 BCADHN CC(C)N(C[C@H](C)O)C(=O)NC[C@H](C)N(C)C ZINC000459032753 203226014 /nfs/dbraw/zinc/22/60/14/203226014.db2.gz BAQTUHRNBPLCNV-QWRGUYRKSA-N 0 3 245.367 0.737 20 0 BCADHN C[C@@H](CNC(=O)NC[C@H]1CCC[C@@H]1O)N(C)C ZINC000459043922 203226044 /nfs/dbraw/zinc/22/60/44/203226044.db2.gz RGJLQDNQVTUKMV-AXFHLTTASA-N 0 3 243.351 0.397 20 0 BCADHN CO[C@H](C)CNC(=O)NC[C@H](C)N(C)C ZINC000459042544 203226709 /nfs/dbraw/zinc/22/67/09/203226709.db2.gz PHJKYDSVCQGONF-DTWKUNHWSA-N 0 3 217.313 0.271 20 0 BCADHN C[C@@H](CNC(=O)NC[C@@H]1CCC[C@H]1O)N(C)C ZINC000459043926 203226731 /nfs/dbraw/zinc/22/67/31/203226731.db2.gz RGJLQDNQVTUKMV-GARJFASQSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H](CNC(=O)N1CC[C@@H](C)[C@@H]1CO)N(C)C ZINC000459040699 203226875 /nfs/dbraw/zinc/22/68/75/203226875.db2.gz MNDZBWAODIJEIS-VWYCJHECSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@@H](CNC(=O)NCCC(C)(C)CO)N(C)C ZINC000459067266 203227486 /nfs/dbraw/zinc/22/74/86/203227486.db2.gz VSPPASXRERZFIK-JTQLQIEISA-N 0 3 245.367 0.644 20 0 BCADHN C[C@@H](CNC(=O)NC[C@H](O)C1CCC1)N(C)C ZINC000459067263 203228583 /nfs/dbraw/zinc/22/85/83/203228583.db2.gz VSJXBELULGPWSO-ONGXEEELSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H](CNC(=O)N1C[C@H](C)[C@H]1C)N(C)C 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ZINC000621539276 370383547 /nfs/dbraw/zinc/38/35/47/370383547.db2.gz JMADYLGXODRHBA-SSDOTTSWSA-N 0 3 224.308 0.706 20 0 BCADHN CC(=O)N1CC(N[C@H](C)CCn2cccn2)C1 ZINC000568239390 326332736 /nfs/dbraw/zinc/33/27/36/326332736.db2.gz KYRFNDXJBXISEL-SNVBAGLBSA-N 0 3 236.319 0.482 20 0 BCADHN C[C@@H]1CN(C(=O)CN(C)CC2CC2)C[C@@H](C)O1 ZINC000076747304 370349491 /nfs/dbraw/zinc/34/94/91/370349491.db2.gz LUNVOZOALULOFC-GHMZBOCLSA-N 0 3 240.347 0.964 20 0 BCADHN COCCNCC(=O)NCC[C@H]1CC1(F)F ZINC000621671234 370421494 /nfs/dbraw/zinc/42/14/94/370421494.db2.gz LTAMOBYTBQRSIV-QMMMGPOBSA-N 0 3 236.262 0.384 20 0 BCADHN CC(C)(N)C(=O)NCC[C@@H]1CC1(F)F ZINC000621671141 370422014 /nfs/dbraw/zinc/42/20/14/370422014.db2.gz JJDOMNZPWLGYIJ-ZCFIWIBFSA-N 0 3 206.236 0.885 20 0 BCADHN O=C(CNC1CC1)NCC[C@H]1CC1(F)F ZINC000621671363 370422142 /nfs/dbraw/zinc/42/21/42/370422142.db2.gz QFYWQLYQHKULAJ-ZETCQYMHSA-N 0 3 218.247 0.900 20 0 BCADHN O=C1NCC[C@@]12CCCN2C[C@H]1CCCO1 ZINC000568289890 326341702 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20 0 BCADHN CCCN(C)CC(=O)N1CCO[C@H](C)[C@@H]1C ZINC000361458992 169067968 /nfs/dbraw/zinc/06/79/68/169067968.db2.gz UMROYUUVHCVFNH-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H](CO)[C@H](C)C1 ZINC000360834085 169068488 /nfs/dbraw/zinc/06/84/88/169068488.db2.gz IMXZVJSXLCOROA-GHMZBOCLSA-N 0 3 228.336 0.415 20 0 BCADHN CCCN(C)CC(=O)N1CCO[C@H](C)[C@H]1C ZINC000361458989 169068626 /nfs/dbraw/zinc/06/86/26/169068626.db2.gz UMROYUUVHCVFNH-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN O[C@@H]1CCN(CCCO[C@H]2CCCCO2)C1 ZINC000338272872 183197630 /nfs/dbraw/zinc/19/76/30/183197630.db2.gz WUSZBXLSSFOCRT-NEPJUHHUSA-N 0 3 229.320 0.986 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000357107194 169069034 /nfs/dbraw/zinc/06/90/34/169069034.db2.gz CBYDTGIONKVPHA-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN CCCN(C)CC(=O)N1CCCO[C@@H](C)C1 ZINC000359271640 169069142 /nfs/dbraw/zinc/06/91/42/169069142.db2.gz LTSQSQWTRXADTL-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN 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BCADHN O[C@H](CNCc1ccco1)[C@@H]1CCOC1 ZINC000164174345 183223727 /nfs/dbraw/zinc/22/37/27/183223727.db2.gz HHVDWEBXWWSLNL-MWLCHTKSSA-N 0 3 211.261 0.767 20 0 BCADHN CCCN(C)S(=O)(=O)N[C@@H](C)CN(C)C ZINC000332478126 169084373 /nfs/dbraw/zinc/08/43/73/169084373.db2.gz NPWSMICCJOSXPT-VIFPVBQESA-N 0 3 237.369 0.113 20 0 BCADHN O[C@H](COc1ccccc1)CN1CC[C@@H](O)C1 ZINC000245538055 183226017 /nfs/dbraw/zinc/22/60/17/183226017.db2.gz ZWRMGCWRVLSACD-NEPJUHHUSA-N 0 3 237.299 0.493 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CCC([C@@H]2CCCO2)CC1 ZINC000361397358 183209199 /nfs/dbraw/zinc/20/91/99/183209199.db2.gz XMQSXXSZKLUJIU-XQQFMLRXSA-N 0 3 241.331 0.637 20 0 BCADHN CCS(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000096478182 170612384 /nfs/dbraw/zinc/61/23/84/170612384.db2.gz ADMRTVLWOOVSEH-UHFFFAOYSA-N 0 3 234.365 0.610 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CC[C@H](N2CCCCC2)C1 ZINC000310249619 183209661 /nfs/dbraw/zinc/20/96/61/183209661.db2.gz XIWKDAPHCRKFRR-RWMBFGLXSA-N 0 3 240.347 0.306 20 0 BCADHN O[C@@H]1COC[C@H]1N1CC[C@@H](Nc2ccccc2)C1 ZINC000361318127 183210042 /nfs/dbraw/zinc/21/00/42/183210042.db2.gz HSZIJGJXNILNCO-MGPQQGTHSA-N 0 3 248.326 0.933 20 0 BCADHN O[C@@H]1COC[C@H]1N1CCC[C@@H](OCC2CC2)C1 ZINC000361395369 183210142 /nfs/dbraw/zinc/21/01/42/183210142.db2.gz NQEGTXAFUAEXSU-JHJVBQTASA-N 0 3 241.331 0.637 20 0 BCADHN O[C@@H]1COC[C@H]1N1CCC([C@@H]2CCCO2)CC1 ZINC000361397357 183210914 /nfs/dbraw/zinc/21/09/14/183210914.db2.gz XMQSXXSZKLUJIU-UPJWGTAASA-N 0 3 241.331 0.637 20 0 BCADHN O[C@@H]1c2ccccc2OC[C@H]1N[C@H]1CCOC1 ZINC000288474145 183214270 /nfs/dbraw/zinc/21/42/70/183214270.db2.gz FXJWHOHEYDVOKS-UFGOTCBOSA-N 0 3 235.283 0.860 20 0 BCADHN O[C@@]1(CNCc2cccnc2Cl)CCOC1 ZINC000126173700 183216241 /nfs/dbraw/zinc/21/62/41/183216241.db2.gz KJWSZEDWEHWIEX-LLVKDONJSA-N 0 3 242.706 0.976 20 0 BCADHN O[C@H]1CCN(CCCO[C@@H]2CCCCO2)C1 ZINC000338272874 183238148 /nfs/dbraw/zinc/23/81/48/183238148.db2.gz WUSZBXLSSFOCRT-NWDGAFQWSA-N 0 3 229.320 0.986 20 0 BCADHN O[C@@H]1c2ccccc2C[C@@H]1N1CC[C@H](O)C1 ZINC000272047196 183239548 /nfs/dbraw/zinc/23/95/48/183239548.db2.gz YWGGOAPXCLBFOK-WCFLWFBJSA-N 0 3 219.284 0.711 20 0 BCADHN CCCN(CC)C(=O)CNC(=O)[C@H](N)C(C)C ZINC000336709609 169111432 /nfs/dbraw/zinc/11/14/32/169111432.db2.gz KBRVYSAPWKHQCH-LLVKDONJSA-N 0 3 243.351 0.344 20 0 BCADHN O[C@@H]1CN(CCCCCn2cccn2)C[C@@H]1O ZINC000278733301 183243103 /nfs/dbraw/zinc/24/31/03/183243103.db2.gz LGLNBGOSPZIRNG-TXEJJXNPSA-N 0 3 239.319 0.091 20 0 BCADHN O[C@@H]1CN(C[C@H]2Cc3ccccc32)C[C@@H]1O ZINC000086331315 183243824 /nfs/dbraw/zinc/24/38/24/183243824.db2.gz HCJFXIGAUWPOES-RTXFEEFZSA-N 0 3 219.284 0.364 20 0 BCADHN O[C@@H]1CN(CCCOc2ccccc2)C[C@@H]1O ZINC000093092521 183243841 /nfs/dbraw/zinc/24/38/41/183243841.db2.gz GTFUMFPOTIFFKF-BETUJISGSA-N 0 3 237.299 0.493 20 0 BCADHN O[C@H]1CCCN(CCN2CCOCC2)CC1 ZINC000339786882 183234355 /nfs/dbraw/zinc/23/43/55/183234355.db2.gz JIJMZFSEWMBTCD-LBPRGKRZSA-N 0 3 228.336 0.165 20 0 BCADHN O[C@H]1CCC[C@H]1N1CCN(CCCF)CC1 ZINC000372045393 183237643 /nfs/dbraw/zinc/23/76/43/183237643.db2.gz CBDHCEFQGTZIBS-NEPJUHHUSA-N 0 3 230.327 0.877 20 0 BCADHN CCCN(CC)Cc1cc(=O)n(C)c(=O)n1C ZINC000299392842 169129869 /nfs/dbraw/zinc/12/98/69/169129869.db2.gz RWPXWWTYZSQWFR-UHFFFAOYSA-N 0 3 239.319 0.316 20 0 BCADHN O=c1cc2c(n[nH]1)CCN(CC[C@H]1CCOC1)C2 ZINC000328607432 183262839 /nfs/dbraw/zinc/26/28/39/183262839.db2.gz LEBYESWWFMKPRZ-JTQLQIEISA-N 0 3 249.314 0.967 20 0 BCADHN O=c1cc2c(n[nH]1)CCN(C[C@@H]1CCCOC1)C2 ZINC000330137979 183263461 /nfs/dbraw/zinc/26/34/61/183263461.db2.gz IDJREQDIYWUNQF-JTQLQIEISA-N 0 3 249.314 0.967 20 0 BCADHN CCCN(CCCCO)CC(=O)NC ZINC000303359098 169154417 /nfs/dbraw/zinc/15/44/17/169154417.db2.gz ARTQKKOYHNVVDK-UHFFFAOYSA-N 0 3 202.298 0.217 20 0 BCADHN CCCN(CCCF)[C@@H]1CC(=O)N(C)C1=O ZINC000338325690 169154559 /nfs/dbraw/zinc/15/45/59/169154559.db2.gz WLFVNLJRCKOPJZ-SECBINFHSA-N 0 3 230.283 0.815 20 0 BCADHN CCCN(CCC[C@H](C)O)CC(=O)N(C)C ZINC000354877932 169155442 /nfs/dbraw/zinc/15/54/42/169155442.db2.gz YXXRVIKTZDCKKB-NSHDSACASA-N 0 3 230.352 0.948 20 0 BCADHN CCCN(CCN(C)C)C(=O)CC(=O)NCC ZINC000357314605 169155478 /nfs/dbraw/zinc/15/54/78/169155478.db2.gz RDQXTIDXELZELS-UHFFFAOYSA-N 0 3 243.351 0.313 20 0 BCADHN CCCN(CCCOC)[C@@H]1CC(=O)N(C)C1=O ZINC000338330830 169156501 /nfs/dbraw/zinc/15/65/01/169156501.db2.gz OILSOWQDTNQUNM-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN Oc1cccc(CNC[C@@]2(O)CCOC2)c1 ZINC000126185341 183291379 /nfs/dbraw/zinc/29/13/79/183291379.db2.gz SUSBZMDMDRPFRL-LBPRGKRZSA-N 0 3 223.272 0.633 20 0 BCADHN CCCN(CCN1CCCC1)C(=O)COC ZINC000342184819 169157744 /nfs/dbraw/zinc/15/77/44/169157744.db2.gz WESAOPQXUBHWPC-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@@H](O)C(C)C ZINC000352635764 169157780 /nfs/dbraw/zinc/15/77/80/169157780.db2.gz FVDOVLDYWOKVAP-NSHDSACASA-N 0 3 230.352 0.804 20 0 BCADHN CCCN(CCO)C[C@H]1COCCO1 ZINC000336672175 169165274 /nfs/dbraw/zinc/16/52/74/169165274.db2.gz LHHGCDCTQREVGL-JTQLQIEISA-N 0 3 203.282 0.106 20 0 BCADHN CCCN(CCO)CCN1CCOCC1 ZINC000049826067 169165593 /nfs/dbraw/zinc/16/55/93/169165593.db2.gz RCXDZHMZSZJEJH-UHFFFAOYSA-N 0 3 216.325 0.023 20 0 BCADHN CCCN1CCC(S(=O)(=O)NC)CC1 ZINC000336553089 169191489 /nfs/dbraw/zinc/19/14/89/169191489.db2.gz LNNOKMMNPSZJRZ-UHFFFAOYSA-N 0 3 220.338 0.410 20 0 BCADHN c1c[nH]c(CNCCCO[C@@H]2CCOC2)n1 ZINC000152923115 183325058 /nfs/dbraw/zinc/32/50/58/183325058.db2.gz OZHNXBLZMNANJE-SNVBAGLBSA-N 0 3 225.292 0.695 20 0 BCADHN c1c[nH]c(CN[C@H]2CCN(C3CC3)C2)n1 ZINC000044687846 183325425 /nfs/dbraw/zinc/32/54/25/183325425.db2.gz LFKYMZQZLKZMCK-VIFPVBQESA-N 0 3 206.293 0.736 20 0 BCADHN c1c[nH]c(CNCCCO[C@H]2CCOC2)n1 ZINC000152923179 183325534 /nfs/dbraw/zinc/32/55/34/183325534.db2.gz OZHNXBLZMNANJE-JTQLQIEISA-N 0 3 225.292 0.695 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCCNC(C)=O ZINC000330617088 169198861 /nfs/dbraw/zinc/19/88/61/169198861.db2.gz WALKFHNPQRXJIZ-NSHDSACASA-N 0 3 241.335 0.113 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NC[C@@H](O)C1CC1 ZINC000331668681 169198918 /nfs/dbraw/zinc/19/89/18/169198918.db2.gz NNAHGDNIADRJOO-NWDGAFQWSA-N 0 3 240.347 0.748 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N[C@H](C)CO ZINC000330694262 169199443 /nfs/dbraw/zinc/19/94/43/169199443.db2.gz SOFHBQNWXVHBDO-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N[C@H](CC)CO ZINC000330689158 169199564 /nfs/dbraw/zinc/19/95/64/169199564.db2.gz PAKLMVXMDDTXCB-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000357952299 169200445 /nfs/dbraw/zinc/20/04/45/169200445.db2.gz AXJSAAQVWBOUPI-WHOHXGKFSA-N 0 3 238.331 0.622 20 0 BCADHN CCCNC(=O)CNC(=O)[C@]1(C)CCCCN1 ZINC000136145493 169225965 /nfs/dbraw/zinc/22/59/65/169225965.db2.gz KMYMTODSPYRUBI-LBPRGKRZSA-N 0 3 241.335 0.161 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCCSC1 ZINC000061573214 169227386 /nfs/dbraw/zinc/22/73/86/169227386.db2.gz NDQCETPDHSSXGH-SECBINFHSA-N 0 3 216.350 0.998 20 0 BCADHN CCCNC(=O)CN[C@](C)(CO)C(C)C ZINC000336765837 169228473 /nfs/dbraw/zinc/22/84/73/169228473.db2.gz RHDCCJCTDKLQDA-LLVKDONJSA-N 0 3 216.325 0.509 20 0 BCADHN CCCN1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355098993 169208472 /nfs/dbraw/zinc/20/84/72/169208472.db2.gz FUOWRYCCMGNMBR-JTQLQIEISA-N 0 3 211.309 0.932 20 0 BCADHN c1cc(CNC[C@@H]2CN3CCC[C@@H]3CO2)n[nH]1 ZINC000112839236 183351020 /nfs/dbraw/zinc/35/10/20/183351020.db2.gz AVJNNZSQOACWEH-VXGBXAGGSA-N 0 3 236.319 0.363 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@@H]1CCCN1C ZINC000330752181 169215729 /nfs/dbraw/zinc/21/57/29/169215729.db2.gz ZQFQORMDTISFCQ-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@H](N)[C@H](C)CC ZINC000045088649 169216837 /nfs/dbraw/zinc/21/68/37/169216837.db2.gz QQVUXRKLIKWPIN-MWLCHTKSSA-N 0 3 243.351 0.392 20 0 BCADHN CCCNC(=O)CCNCc1c(C)cnn1C ZINC000352815297 169217047 /nfs/dbraw/zinc/21/70/47/169217047.db2.gz KWWZFHWTDBCTQG-UHFFFAOYSA-N 0 3 238.335 0.734 20 0 BCADHN CCCNC(=O)CCNCc1cnn(C)c1 ZINC000045072446 169217418 /nfs/dbraw/zinc/21/74/18/169217418.db2.gz OAIDLSLENGPGHG-UHFFFAOYSA-N 0 3 224.308 0.426 20 0 BCADHN CCCNC(=O)CN(CCC)C(=O)[C@@H](C)N ZINC000037817979 169219748 /nfs/dbraw/zinc/21/97/48/169219748.db2.gz WSSFQFOHMUGRGN-SECBINFHSA-N 0 3 229.324 0.098 20 0 BCADHN CCCNC(=O)CN(CCC)C[C@@H](C)O ZINC000337142851 169220714 /nfs/dbraw/zinc/22/07/14/169220714.db2.gz USJBAMPBPJOJAP-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN CCCNC(=O)CN1CCC[C@@H]1C(C)(C)O ZINC000305203295 169221034 /nfs/dbraw/zinc/22/10/34/169221034.db2.gz WYAIDSNRAKBKRQ-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CCCNC(=O)CN1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000375031644 169222735 /nfs/dbraw/zinc/22/27/35/169222735.db2.gz OTYOUMANEJQTEC-VXGBXAGGSA-N 0 3 239.363 0.539 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CC[C@@](O)(C2CC2)C1 ZINC000373240507 169241079 /nfs/dbraw/zinc/24/10/79/169241079.db2.gz DEDSOMOTMKUVCY-MFKMUULPSA-N 0 3 240.347 0.748 20 0 BCADHN CCCNC(=O)[C@@H](C)N[C@H](C)Cn1cccn1 ZINC000042269866 169241986 /nfs/dbraw/zinc/24/19/86/169241986.db2.gz ZATKSJUCLZZXSE-GHMZBOCLSA-N 0 3 238.335 0.776 20 0 BCADHN CCCNC(=O)[C@H](C)N(C)CC1(O)CCC1 ZINC000353479911 169244297 /nfs/dbraw/zinc/24/42/97/169244297.db2.gz HMRQHDHLABIOCK-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CCCNC(=O)[C@H](C)N1CCC[C@H](O)CC1 ZINC000331850167 169246182 /nfs/dbraw/zinc/24/61/82/169246182.db2.gz IIMJVRXGMMXVPM-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN CCCNC(=O)c1ccc(NC(=O)CNC)cc1 ZINC000066225850 169251430 /nfs/dbraw/zinc/25/14/30/169251430.db2.gz MKRPKHLLLFBLTA-UHFFFAOYSA-N 0 3 249.314 0.984 20 0 BCADHN CCCNS(=O)(=O)NC[C@H](C)N(C)C1CC1 ZINC000331764770 169271518 /nfs/dbraw/zinc/27/15/18/169271518.db2.gz OJQOUBFMQDJOQE-VIFPVBQESA-N 0 3 249.380 0.303 20 0 BCADHN CCCNS(=O)(=O)NCCN(C)C(C)C ZINC000332482491 169271651 /nfs/dbraw/zinc/27/16/51/169271651.db2.gz OQLGUPUUSMTICS-UHFFFAOYSA-N 0 3 237.369 0.161 20 0 BCADHN CCCOCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000374876551 169304149 /nfs/dbraw/zinc/30/41/49/169304149.db2.gz OELUZOIOMHRLGC-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CCCS(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115585959 169329528 /nfs/dbraw/zinc/32/95/28/169329528.db2.gz MFNIPJFNQXSJNY-NSHDSACASA-N 0 3 248.392 1.000 20 0 BCADHN CCCS(=O)(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000371506238 169331460 /nfs/dbraw/zinc/33/14/60/169331460.db2.gz PRIBISDJPBYMSQ-WDEREUQCSA-N 0 3 246.376 0.752 20 0 BCADHN CCCS(=O)(=O)N[C@@H]1CNCC[C@H]1C ZINC000070957560 169333061 /nfs/dbraw/zinc/33/30/61/169333061.db2.gz JZOUBNRSTBABQG-RKDXNWHRSA-N 0 3 220.338 0.314 20 0 BCADHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CCO)C1 ZINC000081669145 169368652 /nfs/dbraw/zinc/36/86/52/169368652.db2.gz MDALGVONGVYXTG-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CCC[C@@H](C(=O)NC[C@@H](C)O)N(C)C ZINC000129346183 169344992 /nfs/dbraw/zinc/34/49/92/169344992.db2.gz BMFRLBRHEXYRFI-BDAKNGLRSA-N 0 3 202.298 0.214 20 0 BCADHN CCC[C@@H](C(=O)NC[C@@H](O)C(F)F)N(C)C ZINC000354770637 169345050 /nfs/dbraw/zinc/34/50/50/169345050.db2.gz JXIRMMDTJPQEHG-JGVFFNPUSA-N 0 3 238.278 0.459 20 0 BCADHN CCC[C@@H](C(=O)NCc1ncn(C)n1)N(C)C ZINC000091886278 169345442 /nfs/dbraw/zinc/34/54/42/169345442.db2.gz HUQYSXIOAXQNAG-VIFPVBQESA-N 0 3 239.323 0.162 20 0 BCADHN CCC[C@@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000036285261 169351402 /nfs/dbraw/zinc/35/14/02/169351402.db2.gz ZPVKXXLAVIQPQI-ZJUUUORDSA-N 0 3 214.309 0.527 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)CCCn1ccnc1 ZINC000262159386 169386856 /nfs/dbraw/zinc/38/68/56/169386856.db2.gz ULYIWLWYMJYRSE-LLVKDONJSA-N 0 3 238.335 0.859 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCCN(C2CC2)CC1 ZINC000178869015 134316278 /nfs/dbraw/zinc/31/62/78/134316278.db2.gz KJXZDVCWEYKVBO-NSHDSACASA-N 0 3 239.363 0.633 20 0 BCADHN CCC[C@@H](N)C(=O)NCCNc1ccccn1 ZINC000272385132 169388881 /nfs/dbraw/zinc/38/88/81/169388881.db2.gz WYGDQGJDQUKWOD-SNVBAGLBSA-N 0 3 236.319 0.737 20 0 BCADHN CCC[C@@H](N)C(=O)NCCCn1ccnc1 ZINC000036873105 169388998 /nfs/dbraw/zinc/38/89/98/169388998.db2.gz NKNLVOYRIIVBBJ-SNVBAGLBSA-N 0 3 224.308 0.517 20 0 BCADHN CCC[C@@H](N)C(=O)NCCc1noc(CC)n1 ZINC000269053858 169389249 /nfs/dbraw/zinc/38/92/49/169389249.db2.gz OECZOTNYJLQNJY-MRVPVSSYSA-N 0 3 240.307 0.418 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000269038536 169390377 /nfs/dbraw/zinc/39/03/77/169390377.db2.gz LPSDRIVETPVSER-GHMZBOCLSA-N 0 3 249.314 0.457 20 0 BCADHN CCC[C@@H](N)C(=O)NCc1cnn(C)c1 ZINC000041055108 169391070 /nfs/dbraw/zinc/39/10/70/169391070.db2.gz KGXNALVATZNHKA-SECBINFHSA-N 0 3 210.281 0.164 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000036872773 169391782 /nfs/dbraw/zinc/39/17/82/169391782.db2.gz MEQUVVQKURZFEF-SNVBAGLBSA-N 0 3 235.287 0.851 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726824 169392436 /nfs/dbraw/zinc/39/24/36/169392436.db2.gz VIUWAHVYCOLJPD-GXSJLCMTSA-N 0 3 225.336 0.467 20 0 BCADHN CCC[C@@H](NC(C)C)C(=O)N[C@H](C)C(N)=O ZINC000309467869 169399003 /nfs/dbraw/zinc/39/90/03/169399003.db2.gz PYQXGSWDFWKMNC-RKDXNWHRSA-N 0 3 229.324 0.143 20 0 BCADHN C[C@@H]1CCN(CCc2cnn(C)c2)C[C@@H]1O ZINC000221439425 134324867 /nfs/dbraw/zinc/32/48/67/134324867.db2.gz HUPWOOWCFFPAQI-PWSUYJOCSA-N 0 3 223.320 0.665 20 0 BCADHN CCOCCN1CCN(Cc2cnc[nH]2)CC1 ZINC000179969588 134325245 /nfs/dbraw/zinc/32/52/45/134325245.db2.gz DSWVBDGHXJWJHX-UHFFFAOYSA-N 0 3 238.335 0.564 20 0 BCADHN c1ncc(CNCCCN2CCOCC2)s1 ZINC000054770266 183544695 /nfs/dbraw/zinc/54/46/95/183544695.db2.gz XRFUMFQFEYRUFQ-UHFFFAOYSA-N 0 3 241.360 0.955 20 0 BCADHN CO[C@@H](C)CN(C)CCNC(=O)C(C)C ZINC000182395206 134345150 /nfs/dbraw/zinc/34/51/50/134345150.db2.gz NRKYGWFIMPAKMD-JTQLQIEISA-N 0 3 216.325 0.725 20 0 BCADHN CCC[C@](C)(N)C(=O)Nc1ccn(C)n1 ZINC000037481553 169547484 /nfs/dbraw/zinc/54/74/84/169547484.db2.gz JUTRTPSEYQYZKD-JTQLQIEISA-N 0 3 210.281 0.876 20 0 BCADHN CCC[C@H](N)C(=O)NCCOCC1CC1 ZINC000225401895 134353416 /nfs/dbraw/zinc/35/34/16/134353416.db2.gz SFQNWWOEOYPFFW-JTQLQIEISA-N 0 3 214.309 0.657 20 0 BCADHN CNC(=O)[C@H](NCCCC(=O)OC)C(C)C ZINC000183642586 134355448 /nfs/dbraw/zinc/35/54/48/134355448.db2.gz FOCCEAYIUGHARF-SNVBAGLBSA-N 0 3 230.308 0.300 20 0 BCADHN CNC(=O)[C@H](NCCOCC1CC1)C(C)C ZINC000183651585 134355454 /nfs/dbraw/zinc/35/54/54/134355454.db2.gz HVMAGBDAEOYALB-LLVKDONJSA-N 0 3 228.336 0.773 20 0 BCADHN CC(C)n1cc(CNC[C@@H]2COCCO2)cn1 ZINC000226241705 134362006 /nfs/dbraw/zinc/36/20/06/134362006.db2.gz HXHKXCSGAHFTMJ-GFCCVEGCSA-N 0 3 239.319 0.969 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCO[C@@H]1C ZINC000226443610 134363357 /nfs/dbraw/zinc/36/33/57/134363357.db2.gz OOIOHSPMPUPHEB-IWSPIJDZSA-N 0 3 221.322 0.187 20 0 BCADHN CSCC[C@H](N)C(=O)N1CCN(C)C[C@@H]1C ZINC000226401531 134365064 /nfs/dbraw/zinc/36/50/64/134365064.db2.gz KAZHJVCJWIASFX-UWVGGRQHSA-N 0 3 245.392 0.229 20 0 BCADHN Cc1c(CNC(=O)[C@@H]2CCCCN2)cnn1C ZINC000226413482 134365453 /nfs/dbraw/zinc/36/54/53/134365453.db2.gz PSFKBGGYOFSWBG-NSHDSACASA-N 0 3 236.319 0.487 20 0 BCADHN O[C@@H](CNCc1ccncc1)C(F)F ZINC000226578648 134367302 /nfs/dbraw/zinc/36/73/02/134367302.db2.gz LEKFBQCYXOPFMD-QMMMGPOBSA-N 0 3 202.204 0.797 20 0 BCADHN CCOC[C@H](O)CN1CCN(C)C[C@@H]1C ZINC000226657752 134368421 /nfs/dbraw/zinc/36/84/21/134368421.db2.gz NDUPWOJCWIAVPZ-WDEREUQCSA-N 0 3 216.325 0.020 20 0 BCADHN COC(=O)[C@H]1[C@H](CNCC(C)(C)O)C1(F)F ZINC000894259595 583397394 /nfs/dbraw/zinc/39/73/94/583397394.db2.gz DEZRVCHHZLAKST-NKWVEPMBSA-N 0 3 237.246 0.401 20 0 BCADHN CC[C@H](C)CN(CC)C(=O)[C@H](CN)OC ZINC000227390865 134379001 /nfs/dbraw/zinc/37/90/01/134379001.db2.gz YOVZUCVGWPBWLP-UWVGGRQHSA-N 0 3 216.325 0.855 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC(COC)CC1 ZINC000069704923 383842027 /nfs/dbraw/zinc/84/20/27/383842027.db2.gz QVHWKHGDXUEUAI-JTQLQIEISA-N 0 3 214.309 0.609 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@@](C)(O)C1CC1 ZINC000358521432 383844182 /nfs/dbraw/zinc/84/41/82/383844182.db2.gz JAAFDJKUMWJYPG-JOYOIKCWSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H](CF)NC(=O)N[C@@H](C)CN(C)C ZINC000358522825 383845976 /nfs/dbraw/zinc/84/59/76/383845976.db2.gz LCNGIAVLBQOFBS-YUMQZZPRSA-N 0 3 205.277 0.594 20 0 BCADHN C[C@H](CF)NC(=O)N[C@@H](C)CN(C)C ZINC000358522820 383846040 /nfs/dbraw/zinc/84/60/40/383846040.db2.gz LCNGIAVLBQOFBS-SFYZADRCSA-N 0 3 205.277 0.594 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@@H](C)CF ZINC000358522817 383847204 /nfs/dbraw/zinc/84/72/04/383847204.db2.gz LCNGIAVLBQOFBS-JGVFFNPUSA-N 0 3 205.277 0.594 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@@H](CN)c1ccccc1 ZINC000223722669 383848208 /nfs/dbraw/zinc/84/82/08/383848208.db2.gz JPHRPISYUOQWRE-JQWIXIFHSA-N 0 3 236.315 0.880 20 0 BCADHN CO[C@H](C)CNC(=O)[C@H](N)Cc1ccccc1 ZINC000223737606 383852109 /nfs/dbraw/zinc/85/21/09/383852109.db2.gz AZSCCEOJOICSHQ-ZYHUDNBSSA-N 0 3 236.315 0.708 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1COc2ccccc21 ZINC000070069105 383857995 /nfs/dbraw/zinc/85/79/95/383857995.db2.gz QEHARZQAMVENCY-IONNQARKSA-N 0 3 206.245 0.584 20 0 BCADHN CC[C@H](N)C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000037805197 383863318 /nfs/dbraw/zinc/86/33/18/383863318.db2.gz KVFUHLOASRATRP-JTQLQIEISA-N 0 3 241.335 0.051 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000643732715 383863703 /nfs/dbraw/zinc/86/37/03/383863703.db2.gz NBMYTGNFIQSPIR-MMWGEVLESA-N 0 3 224.304 0.361 20 0 BCADHN OC[C@@H]1CN(CC2=CCCC2)CC[C@H]1O ZINC000401064463 383864081 /nfs/dbraw/zinc/86/40/81/383864081.db2.gz GWIVTBJIEJQUGL-NWDGAFQWSA-N 0 3 211.305 0.772 20 0 BCADHN CC(C)OC[C@H](O)CN1CCC(C)(O)CC1 ZINC000087781561 383865584 /nfs/dbraw/zinc/86/55/84/383865584.db2.gz RNMOVDHMMQPHES-LLVKDONJSA-N 0 3 231.336 0.619 20 0 BCADHN C[C@H](NCCCOCCO)c1nccn1C ZINC000227502759 134381983 /nfs/dbraw/zinc/38/19/83/134381983.db2.gz NCGAAVWSGMPVCO-JTQLQIEISA-N 0 3 227.308 0.470 20 0 BCADHN C[C@@H](NC(=O)[C@H](N)CC(F)F)C1CC1 ZINC000308643611 383874850 /nfs/dbraw/zinc/87/48/50/383874850.db2.gz FPNIFLXJACDQCG-IYSWYEEDSA-N 0 3 206.236 0.884 20 0 BCADHN Cc1cnc(C(=O)NC[C@@H]2CCN(C)C2)cn1 ZINC000066652624 383877224 /nfs/dbraw/zinc/87/72/24/383877224.db2.gz XCVLAGBSWQGRGU-JTQLQIEISA-N 0 3 234.303 0.467 20 0 BCADHN C[C@H](NC[C@@]1(O)CCOC1)c1cnn(C)c1 ZINC000222419722 383878123 /nfs/dbraw/zinc/87/81/23/383878123.db2.gz VVJYVBRRHFNRFH-ONGXEEELSA-N 0 3 225.292 0.222 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC[C@@H](CC)CCO ZINC000087369784 383829451 /nfs/dbraw/zinc/82/94/51/383829451.db2.gz RBOPOCKUSXLUOM-DCAQKATOSA-N 0 3 230.352 0.885 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@H]1CCO ZINC000358520413 383834271 /nfs/dbraw/zinc/83/42/71/383834271.db2.gz HMHKRADCDYEZJN-QWRGUYRKSA-N 0 3 243.351 0.493 20 0 BCADHN Cn1cc(CN[C@@H]2COCC2(C)C)cn1 ZINC000313130003 383919718 /nfs/dbraw/zinc/91/97/18/383919718.db2.gz XUHPEHNPPJRKAL-SNVBAGLBSA-N 0 3 209.293 0.935 20 0 BCADHN Cn1ccnc1CNCCCC(=O)NC1CC1 ZINC000112346190 383920488 /nfs/dbraw/zinc/92/04/88/383920488.db2.gz UGWVCBTYXSMCBC-UHFFFAOYSA-N 0 3 236.319 0.569 20 0 BCADHN Cn1cc(CN[C@H]2COCC2(C)C)cn1 ZINC000313130001 383920558 /nfs/dbraw/zinc/92/05/58/383920558.db2.gz XUHPEHNPPJRKAL-JTQLQIEISA-N 0 3 209.293 0.935 20 0 BCADHN COc1c(C(=O)NCCN(C)C)c(C)nn1C ZINC000112403411 383922071 /nfs/dbraw/zinc/92/20/71/383922071.db2.gz YMNGJXKXSMUKHL-UHFFFAOYSA-N 0 3 240.307 0.029 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000037004371 383927781 /nfs/dbraw/zinc/92/77/81/383927781.db2.gz SRTTVFCYBIBIIV-NSHDSACASA-N 0 3 245.286 0.943 20 0 BCADHN Cc1nnnn1-c1cccc(NC(=O)[C@H](C)N)c1 ZINC000037045504 383931176 /nfs/dbraw/zinc/93/11/76/383931176.db2.gz CRJZGTUBUHNIRW-ZETCQYMHSA-N 0 3 246.274 0.256 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000037018279 383932043 /nfs/dbraw/zinc/93/20/43/383932043.db2.gz DLRVEDHXPVNJCK-RQJHMYQMSA-N 0 3 249.270 0.692 20 0 BCADHN CC(C)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000336436978 383882858 /nfs/dbraw/zinc/88/28/58/383882858.db2.gz FQCJLAZMABGLFL-JTQLQIEISA-N 0 3 234.365 0.656 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@H]1CCCCN1 ZINC000237105207 383888182 /nfs/dbraw/zinc/88/81/82/383888182.db2.gz IEGAQWOPCCAGMY-RKDXNWHRSA-N 0 3 228.292 0.054 20 0 BCADHN COC[C@H](CN[C@H](C)c1cnn(C)c1)OC ZINC000227714940 134384568 /nfs/dbraw/zinc/38/45/68/134384568.db2.gz LSAKGKOTVXSIDY-KOLCDFICSA-N 0 3 227.308 0.732 20 0 BCADHN CCCCN1CCC(NS(C)(=O)=O)CC1 ZINC000070248586 383897758 /nfs/dbraw/zinc/89/77/58/383897758.db2.gz MJDFLYBBFPZTLZ-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN CCCN1CCC[C@H]1CS(N)(=O)=O ZINC000407947489 383899225 /nfs/dbraw/zinc/89/92/25/383899225.db2.gz VKIAVIOKMRSEAS-QMMMGPOBSA-N 0 3 206.311 0.149 20 0 BCADHN CCN(C)CCNC(=O)c1ccn(C)c(=O)c1 ZINC000066958725 383902259 /nfs/dbraw/zinc/90/22/59/383902259.db2.gz FXFBSYCOZJSKEO-UHFFFAOYSA-N 0 3 237.303 0.067 20 0 BCADHN CCN(C)CCNC(=O)NCc1cccnc1 ZINC000066982725 383902545 /nfs/dbraw/zinc/90/25/45/383902545.db2.gz OXMBOFGMVIKXJW-UHFFFAOYSA-N 0 3 236.319 0.833 20 0 BCADHN CCN(C)CCNC(=O)c1ccc(=O)n(C)c1 ZINC000066949177 383903293 /nfs/dbraw/zinc/90/32/93/383903293.db2.gz REBOSBDDXDBDJN-UHFFFAOYSA-N 0 3 237.303 0.067 20 0 BCADHN CCN(C)CCNC(=O)c1cccc[n+]1[O-] ZINC000066949263 383903391 /nfs/dbraw/zinc/90/33/91/383903391.db2.gz NEEZGXACTIXHDQ-UHFFFAOYSA-N 0 3 223.276 0.002 20 0 BCADHN NCc1noc(C2CCN(C3CC3)CC2)n1 ZINC000569361809 383904109 /nfs/dbraw/zinc/90/41/09/383904109.db2.gz UHQZNLSBARIOKT-UHFFFAOYSA-N 0 3 222.292 0.870 20 0 BCADHN OC[C@@H]1CCCN1C[C@@H](O)CC1(O)CCC1 ZINC000528374124 383904506 /nfs/dbraw/zinc/90/45/06/383904506.db2.gz SZPTXINCAXJXDI-QWRGUYRKSA-N 0 3 229.320 0.109 20 0 BCADHN c1ncc(CNC[C@H]2CCCOC2)cn1 ZINC000054768032 383978779 /nfs/dbraw/zinc/97/87/79/383978779.db2.gz QSBUTUSKYWSNSN-SNVBAGLBSA-N 0 3 207.277 0.993 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2cccc[n+]2[O-])C1 ZINC000068487273 383992783 /nfs/dbraw/zinc/99/27/83/383992783.db2.gz IHGNPXZWKNOUOV-NSHDSACASA-N 0 3 249.314 0.486 20 0 BCADHN CC(C(=O)NC(C)(C)CF)S(C)(=O)=O ZINC000332462408 383995416 /nfs/dbraw/zinc/99/54/16/383995416.db2.gz JENRXIMAVFJFRQ-ZCFIWIBFSA-N 0 3 225.285 0.284 20 0 BCADHN CC(C(=O)NC(C)(C)CF)S(C)(=O)=O ZINC000332462397 383997004 /nfs/dbraw/zinc/99/70/04/383997004.db2.gz JENRXIMAVFJFRQ-LURJTMIESA-N 0 3 225.285 0.284 20 0 BCADHN COC[C@H](O)CN[C@H](C)c1cnn(C)c1 ZINC000070589301 383936972 /nfs/dbraw/zinc/93/69/72/383936972.db2.gz DBCKGUMEQVDKTB-PSASIEDQSA-N 0 3 213.281 0.078 20 0 BCADHN CCOC[C@@H](O)CN1CCN(C)C[C@H]1CC ZINC000564880931 383939516 /nfs/dbraw/zinc/93/95/16/383939516.db2.gz CJVNPEJNAZNOEL-NEPJUHHUSA-N 0 3 230.352 0.410 20 0 BCADHN CN(C)CCNc1nccn2cnnc12 ZINC000070616445 383941873 /nfs/dbraw/zinc/94/18/73/383941873.db2.gz SKXTVEMITXATSE-UHFFFAOYSA-N 0 3 206.253 0.098 20 0 BCADHN CC[C@H](COC)NC(=O)[C@@H]1CCCCN1 ZINC000070626235 383944550 /nfs/dbraw/zinc/94/45/50/383944550.db2.gz KJYTYHLDUQUUBG-ZJUUUORDSA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@@H](COC)NC(=O)[C@@H](N)C(C)(C)C ZINC000070626248 383944583 /nfs/dbraw/zinc/94/45/83/383944583.db2.gz ATCJZHDPFMCJOP-DTWKUNHWSA-N 0 3 216.325 0.901 20 0 BCADHN CC[C@H]1CN(C)CCN1CCc1cnn(C)c1 ZINC000564881250 383945702 /nfs/dbraw/zinc/94/57/02/383945702.db2.gz RJYSMMLJGTXKFR-ZDUSSCGKSA-N 0 3 236.363 0.989 20 0 BCADHN C[C@H](O)CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000408070612 134385811 /nfs/dbraw/zinc/38/58/11/134385811.db2.gz KCODXIJPSMOFKE-BBBLOLIVSA-N 0 3 214.309 0.356 20 0 BCADHN CC[C@@H](NC(=O)CNC)c1nccs1 ZINC000070634128 383949054 /nfs/dbraw/zinc/94/90/54/383949054.db2.gz VJMMLTSXPFXEOR-SSDOTTSWSA-N 0 3 213.306 0.930 20 0 BCADHN CC[C@H](COC)NC(=O)[C@@H](N)CCSC ZINC000070659002 383954200 /nfs/dbraw/zinc/95/42/00/383954200.db2.gz MFVOSFIGUYYSOM-BDAKNGLRSA-N 0 3 234.365 0.608 20 0 BCADHN CC[C@H](N)C(=O)NCc1scnc1C ZINC000070837700 383955099 /nfs/dbraw/zinc/95/50/99/383955099.db2.gz OZDKFASZYHDMRV-ZETCQYMHSA-N 0 3 213.306 0.805 20 0 BCADHN CCC[C@H](N)C(=O)NCc1ccnn1C ZINC000070905893 383956156 /nfs/dbraw/zinc/95/61/56/383956156.db2.gz SZCAPIRLMRHKHQ-VIFPVBQESA-N 0 3 210.281 0.164 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H](O)C(F)F ZINC000332440907 383964539 /nfs/dbraw/zinc/96/45/39/383964539.db2.gz DVKPYYOGJGBWRX-ZETCQYMHSA-N 0 3 224.251 0.069 20 0 BCADHN CC[C@@H](C(=O)N[C@@](C)(CC)CO)N(C)C ZINC000332439051 383965001 /nfs/dbraw/zinc/96/50/01/383965001.db2.gz DNZARHBNYHWSGW-ONGXEEELSA-N 0 3 216.325 0.604 20 0 BCADHN C[C@@H](O)CNCc1cnn2ccccc12 ZINC000070944286 383971193 /nfs/dbraw/zinc/97/11/93/383971193.db2.gz VRMCADIAXIEOMX-SECBINFHSA-N 0 3 205.261 0.805 20 0 BCADHN NC1(C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000648171562 383976547 /nfs/dbraw/zinc/97/65/47/383976547.db2.gz UEVQCDHNHVKQQM-UHFFFAOYSA-N 0 3 247.289 0.323 20 0 BCADHN CCN(CCNCc1ncc[nH]1)C1CC1 ZINC000067696280 384016929 /nfs/dbraw/zinc/01/69/29/384016929.db2.gz BRRJMBAAGFVFEG-UHFFFAOYSA-N 0 3 208.309 0.984 20 0 BCADHN CCN(CC)C(=O)CN1CCCC[C@H](N)C1=O ZINC000643614888 384018120 /nfs/dbraw/zinc/01/81/20/384018120.db2.gz OUQRZLSEAADLLZ-JTQLQIEISA-N 0 3 241.335 0.195 20 0 BCADHN CCN(C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000647255063 384020304 /nfs/dbraw/zinc/02/03/04/384020304.db2.gz BWMLSRIEMAGBKR-SNVBAGLBSA-N 0 3 213.325 0.988 20 0 BCADHN CCN1C[C@H](N[C@H]2CO[C@H](C)C2)CC1=O ZINC000401790474 384020381 /nfs/dbraw/zinc/02/03/81/384020381.db2.gz NJYRFDGBRSJDCQ-OPRDCNLKSA-N 0 3 212.293 0.374 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)c1cccnc1 ZINC000152722618 384023027 /nfs/dbraw/zinc/02/30/27/384023027.db2.gz RWECIWPDOPFASC-LBPRGKRZSA-N 0 3 237.303 0.124 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@@H]1CO[C@@H](C)C1 ZINC000401798532 384023264 /nfs/dbraw/zinc/02/32/64/384023264.db2.gz RHKUUHCXQAWQLA-GUBZILKMSA-N 0 3 214.309 0.620 20 0 BCADHN CCN(CC(C)(C)O)C[C@](C)(O)C(C)=O ZINC000332469535 384007972 /nfs/dbraw/zinc/00/79/72/384007972.db2.gz LDLYDMZNYKQCTP-NSHDSACASA-N 0 3 217.309 0.419 20 0 BCADHN O[C@H]1C[C@@H](NCc2ccnn2-c2ccccn2)C1 ZINC000647216177 384010819 /nfs/dbraw/zinc/01/08/19/384010819.db2.gz YGCPQVQZCSSKDR-KLPPZKSPSA-N 0 3 244.298 0.880 20 0 BCADHN CC[C@H](N[C@H]1CO[C@@H](C)C1)C(=O)NC ZINC000647216564 384012037 /nfs/dbraw/zinc/01/20/37/384012037.db2.gz RAHOMWHXZBYWIW-YIZRAAEISA-N 0 3 200.282 0.278 20 0 BCADHN CC[C@H](N[C@@H]1CO[C@@H](C)C1)C(=O)NC ZINC000647216561 384012369 /nfs/dbraw/zinc/01/23/69/384012369.db2.gz RAHOMWHXZBYWIW-CIUDSAMLSA-N 0 3 200.282 0.278 20 0 BCADHN CC(=O)CCC(=O)NCCCN(C)C ZINC000049812175 384042861 /nfs/dbraw/zinc/04/28/61/384042861.db2.gz FDSAFSMKJOLTKL-UHFFFAOYSA-N 0 3 200.282 0.424 20 0 BCADHN CN(CC(=O)NC(=O)NC1CC1)C1CCC1 ZINC000075841640 384043256 /nfs/dbraw/zinc/04/32/56/384043256.db2.gz MPDZYTFIWDRTKS-UHFFFAOYSA-N 0 3 225.292 0.459 20 0 BCADHN F[C@]1(c2nc([C@H]3CCCN3)no2)CCNC1 ZINC000647156670 384043622 /nfs/dbraw/zinc/04/36/22/384043622.db2.gz KZNDPGDKFOOELL-GMSGAONNSA-N 0 3 226.255 0.652 20 0 BCADHN CC[C@@H](C(=O)NC(C)(C)C(C)(C)O)N(C)C ZINC000332498478 384048351 /nfs/dbraw/zinc/04/83/51/384048351.db2.gz SOUZGCZGHKMVSQ-VIFPVBQESA-N 0 3 230.352 0.992 20 0 BCADHN CC[C@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC000332497569 384050903 /nfs/dbraw/zinc/05/09/03/384050903.db2.gz SJCGTLVURRMBAG-UWVGGRQHSA-N 0 3 216.325 0.460 20 0 BCADHN C[C@@H](N[C@@H](C)c1nnnn1C)[C@@H]1CCOC1 ZINC000309584951 384031320 /nfs/dbraw/zinc/03/13/20/384031320.db2.gz RNOIJVYYJYPZPI-HRDYMLBCSA-N 0 3 225.296 0.286 20 0 BCADHN COCC(COC)N[C@@H]1CO[C@H](C)C1 ZINC000401801776 384034983 /nfs/dbraw/zinc/03/49/83/384034983.db2.gz VBKUWHOZUUDSEI-BDAKNGLRSA-N 0 3 203.282 0.415 20 0 BCADHN CCn1nccc1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000648127694 384053864 /nfs/dbraw/zinc/05/38/64/384053864.db2.gz MLRSCFWTTGMWGY-UWVGGRQHSA-N 0 3 236.319 0.725 20 0 BCADHN O=C([C@H]1CCCOC1)N1CCN2CCC1CC2 ZINC000336536795 384086876 /nfs/dbraw/zinc/08/68/76/384086876.db2.gz OGJJNNABDNYMPC-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@@H]1CCN(C2CC2)C1=O ZINC000309464048 384089449 /nfs/dbraw/zinc/08/94/49/384089449.db2.gz OSVQKCQMISGSCZ-ATZCPNFKSA-N 0 3 226.320 0.763 20 0 BCADHN c1cn(CCN2CCC[C@H]2Cn2cncn2)cn1 ZINC000363459415 384060681 /nfs/dbraw/zinc/06/06/81/384060681.db2.gz MAZNTXNYCOJKPM-LBPRGKRZSA-N 0 3 246.318 0.639 20 0 BCADHN NC(=O)Cn1cc(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)nn1 ZINC000647257498 384061106 /nfs/dbraw/zinc/06/11/06/384061106.db2.gz HWLIUNCAIUMCCV-OPRDCNLKSA-N 0 3 249.318 0.042 20 0 BCADHN C[C@@H]1C[C@@H](NC[C@H]2CCCS2(=O)=O)CO1 ZINC000401832466 384095454 /nfs/dbraw/zinc/09/54/54/384095454.db2.gz NVGNWTUDKYBQPA-OPRDCNLKSA-N 0 3 233.333 0.331 20 0 BCADHN CN(C)CCNc1ncnc(N)c1Cl ZINC000234252949 384096404 /nfs/dbraw/zinc/09/64/04/384096404.db2.gz DNQRUNOAQQADBA-UHFFFAOYSA-N 0 3 215.688 0.686 20 0 BCADHN CCOC(=O)CC(=O)N[C@@H]1CCCN(C)C1 ZINC000082290006 384101299 /nfs/dbraw/zinc/10/12/99/384101299.db2.gz IRJASWGSIORRGU-SECBINFHSA-N 0 3 228.292 0.150 20 0 BCADHN CC[C@H](O)CN(C)CCOCCCOC ZINC000091102542 384103952 /nfs/dbraw/zinc/10/39/52/384103952.db2.gz KWNOPSQSEXXPGJ-NSHDSACASA-N 0 3 219.325 0.742 20 0 BCADHN O=C(CN1CCC[C@@H](CO)CC1)N1CCC1 ZINC000336548963 384107843 /nfs/dbraw/zinc/10/78/43/384107843.db2.gz OZHQFKCZLGLUIP-LLVKDONJSA-N 0 3 226.320 0.313 20 0 BCADHN Cc1ccnc(NC(=O)C[C@@H]2CNCCO2)c1 ZINC000091299240 384115435 /nfs/dbraw/zinc/11/54/35/384115435.db2.gz CBESPKVTXTXJRO-SNVBAGLBSA-N 0 3 235.287 0.707 20 0 BCADHN CC(C)([NH3+])CCC(=O)NCc1ncccc1[O-] ZINC000648153611 384116555 /nfs/dbraw/zinc/11/65/55/384116555.db2.gz LQSMYKMBGMPGOS-UHFFFAOYSA-N 0 3 237.303 0.921 20 0 BCADHN C[C@@H](CNC(=O)c1ccon1)N1CCCC1 ZINC000519937595 384138047 /nfs/dbraw/zinc/13/80/47/384138047.db2.gz HEGMHEJOUWQOOR-VIFPVBQESA-N 0 3 223.276 0.889 20 0 BCADHN CCOC[C@@H](O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000302267460 384121054 /nfs/dbraw/zinc/12/10/54/384121054.db2.gz CNYWAHAVIRZUDG-ONGXEEELSA-N 0 3 242.323 0.331 20 0 BCADHN CO[C@@]1(CNC(=O)/C=C/CN(C)C)CCOC1 ZINC000492636641 533033482 /nfs/dbraw/zinc/03/34/82/533033482.db2.gz WWPPHAJKUXONDW-ZYOFXKKJSA-N 0 3 242.319 0.026 20 0 BCADHN O=C1NCC[C@H]1N1CCC[C@@]2(CCCOC2)C1 ZINC000336553814 384124804 /nfs/dbraw/zinc/12/48/04/384124804.db2.gz DZIPBDGZTRWJPM-DGCLKSJQSA-N 0 3 238.331 0.768 20 0 BCADHN CC(C)N(CCS(=O)(=O)N(C)C)CC1CC1 ZINC000560462958 384150290 /nfs/dbraw/zinc/15/02/90/384150290.db2.gz KVTFKDJMXNWGHE-UHFFFAOYSA-N 0 3 248.392 0.998 20 0 BCADHN CC(C)[C@@H](N)c1cn(CC(=O)NC2CC2)nn1 ZINC000302399884 384155962 /nfs/dbraw/zinc/15/59/62/384155962.db2.gz ROBCPRNLZFJCIY-LLVKDONJSA-N 0 3 237.307 0.213 20 0 BCADHN Cn1ccnc1CNC(=O)[C@H]1CCCCN1 ZINC000070854842 384139000 /nfs/dbraw/zinc/13/90/00/384139000.db2.gz NXYYBCFLHSTVTL-SECBINFHSA-N 0 3 222.292 0.178 20 0 BCADHN CC(=O)N[C@@H]1CCCN(CCC(=O)N(C)C)C1 ZINC000407997823 384143956 /nfs/dbraw/zinc/14/39/56/384143956.db2.gz OLUNTMXLHDOOJY-LLVKDONJSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@@H]1C[C@H](CNCc2cnnn2C)CCO1 ZINC000309793536 384175059 /nfs/dbraw/zinc/17/50/59/384175059.db2.gz PRJFBTGAJSVFEE-NXEZZACHSA-N 0 3 224.308 0.720 20 0 BCADHN C[C@H]1C[C@@H](NCCCS(C)(=O)=O)CO1 ZINC000401865663 384162044 /nfs/dbraw/zinc/16/20/44/384162044.db2.gz JXDDVIMZVUZMJG-DTWKUNHWSA-N 0 3 221.322 0.188 20 0 BCADHN Cc1ccnc(N2CCCN(CCO)CC2)c1 ZINC000071349535 384163676 /nfs/dbraw/zinc/16/36/76/384163676.db2.gz OODKVPAWQDNKGD-UHFFFAOYSA-N 0 3 235.331 0.894 20 0 BCADHN C[C@H](NCc1cnnn1C)[C@H]1CCCOC1 ZINC000309744167 384168357 /nfs/dbraw/zinc/16/83/57/384168357.db2.gz FDIFPGJUVNYWPX-UWVGGRQHSA-N 0 3 224.308 0.720 20 0 BCADHN COCC1(CC(=O)NC[C@@H]2C[C@H](F)CN2)CC1 ZINC000648141128 384169161 /nfs/dbraw/zinc/16/91/61/384169161.db2.gz FKMCINSRCDXCTL-UWVGGRQHSA-N 0 3 244.310 0.619 20 0 BCADHN CS[C@H](C)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000237416189 384178976 /nfs/dbraw/zinc/17/89/76/384178976.db2.gz LCGMKVZBILFYRT-XHNCKOQMSA-N 0 3 216.350 0.947 20 0 BCADHN Cc1cnn(CCNC(=O)CN(C)C(C)C)c1 ZINC000117818237 384181917 /nfs/dbraw/zinc/18/19/17/384181917.db2.gz OBSIMUOEKLPMNB-UHFFFAOYSA-N 0 3 238.335 0.648 20 0 BCADHN CC(C)[C@H](N)C(=O)NC1CCOCC1 ZINC000036319698 384205693 /nfs/dbraw/zinc/20/56/93/384205693.db2.gz NPIXIFLIVHSGQF-VIFPVBQESA-N 0 3 200.282 0.265 20 0 BCADHN CCS(=O)(=O)NCCN(C)C(C)C ZINC000081570449 384186566 /nfs/dbraw/zinc/18/65/66/384186566.db2.gz SQYQMANHUFSSBM-UHFFFAOYSA-N 0 3 208.327 0.266 20 0 BCADHN Cc1ccc(C(=O)NC[C@H]2CNCCO2)cc1 ZINC000036285482 384189880 /nfs/dbraw/zinc/18/98/80/384189880.db2.gz ZKULYIIHMXQXKS-GFCCVEGCSA-N 0 3 234.299 0.713 20 0 BCADHN Cc1ncc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)[nH]1 ZINC000294040164 384192848 /nfs/dbraw/zinc/19/28/48/384192848.db2.gz SJFVFIRUSRDKDA-DTORHVGOSA-N 0 3 236.319 0.883 20 0 BCADHN CC(C)(C)[C@H](NCCOCC1CC1)C(N)=O ZINC000081624877 384194458 /nfs/dbraw/zinc/19/44/58/384194458.db2.gz CXMIRQQYTZEZCR-SNVBAGLBSA-N 0 3 228.336 0.903 20 0 BCADHN COCCN(CCOC)CCC(C)(C)O ZINC000081675950 384196370 /nfs/dbraw/zinc/19/63/70/384196370.db2.gz JIIKAMRMLWKLOL-UHFFFAOYSA-N 0 3 219.325 0.742 20 0 BCADHN CC[C@@H](O)CN1CCCC[C@H]1C(=O)NC ZINC000173616713 384196968 /nfs/dbraw/zinc/19/69/68/384196968.db2.gz LUECEKMFXREJMR-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@H](CCNCc1cncn1C)[S@@](C)=O ZINC000132572959 384197444 /nfs/dbraw/zinc/19/74/44/384197444.db2.gz UFHRWANZGFKTQP-PSLIRLAXSA-N 0 3 229.349 0.667 20 0 BCADHN Cc1nc(Cn2cc([C@H](N)C(C)C)nn2)no1 ZINC000302471129 384198591 /nfs/dbraw/zinc/19/85/91/384198591.db2.gz ZJMOMYSIQVOBQF-SNVBAGLBSA-N 0 3 236.279 0.674 20 0 BCADHN Cn1ncc(Cl)c1CNCCCOCCO ZINC000132698139 384200673 /nfs/dbraw/zinc/20/06/73/384200673.db2.gz VTBPZOWKNQMPGR-UHFFFAOYSA-N 0 3 247.726 0.562 20 0 BCADHN CCOc1cc(NCCN(C)C)ncn1 ZINC000082482253 384231038 /nfs/dbraw/zinc/23/10/38/384231038.db2.gz LZNIDXBUDZBDFC-UHFFFAOYSA-N 0 3 210.281 0.849 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H]1CSCCS1 ZINC000157635771 384231194 /nfs/dbraw/zinc/23/11/94/384231194.db2.gz DKPCGDLFMJWXSO-SSDOTTSWSA-N 0 3 234.390 0.689 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N[C@@H]1CCCOCC1 ZINC000644160356 384232113 /nfs/dbraw/zinc/23/21/13/384232113.db2.gz AKEYWXYZWBELRP-ZJUUUORDSA-N 0 3 226.320 0.670 20 0 BCADHN CC(C)c1nn(C)cc1NC(=O)[C@H]1CCN1 ZINC000335368448 384236250 /nfs/dbraw/zinc/23/62/50/384236250.db2.gz KLIQMPLXZPNVBM-MRVPVSSYSA-N 0 3 222.292 0.844 20 0 BCADHN CC(C)N1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000370768263 384237596 /nfs/dbraw/zinc/23/75/96/384237596.db2.gz YUNIMDLTXLBVKT-GFCCVEGCSA-N 0 3 243.326 0.241 20 0 BCADHN Cc1n[nH]c(C)c1CNCCNC(=O)C1CC1 ZINC000132580986 384238481 /nfs/dbraw/zinc/23/84/81/384238481.db2.gz UJOBUFLZOHEMJQ-UHFFFAOYSA-N 0 3 236.319 0.642 20 0 BCADHN COC[C@@H](C)N[C@@H](C)CS(C)(=O)=O ZINC000081898673 384210608 /nfs/dbraw/zinc/21/06/08/384210608.db2.gz SRILXDWBJYPKMX-SFYZADRCSA-N 0 3 209.311 0.044 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@@H]1CCCO1 ZINC000081898885 384211785 /nfs/dbraw/zinc/21/17/85/384211785.db2.gz HUXQRKBVDGMZHY-BDAKNGLRSA-N 0 3 221.322 0.188 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000158229454 384212304 /nfs/dbraw/zinc/21/23/04/384212304.db2.gz HAEMTRFGMOHFDS-YPMHNXCESA-N 0 3 248.326 0.804 20 0 BCADHN OC[C@H]1CCCN1CCc1cnccn1 ZINC000402885511 384213076 /nfs/dbraw/zinc/21/30/76/384213076.db2.gz BKWQVKNJYNNUHB-LLVKDONJSA-N 0 3 207.277 0.476 20 0 BCADHN C[C@@H]1C[C@H](O)CN1CCc1cnccn1 ZINC000402887598 384213974 /nfs/dbraw/zinc/21/39/74/384213974.db2.gz CMPDSPZMIJSGCA-KOLCDFICSA-N 0 3 207.277 0.474 20 0 BCADHN CC(C)N(CCO)CCc1cnccn1 ZINC000402883779 384214118 /nfs/dbraw/zinc/21/41/18/384214118.db2.gz AMDRCYDRXMDGDL-UHFFFAOYSA-N 0 3 209.293 0.722 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CCCSC1 ZINC000081902764 384214257 /nfs/dbraw/zinc/21/42/57/384214257.db2.gz WHLUVJUBSMJWTB-BDAKNGLRSA-N 0 3 237.390 0.905 20 0 BCADHN C[C@H](O)[C@H]1CCN(CCc2cnccn2)C1 ZINC000402883774 384214836 /nfs/dbraw/zinc/21/48/36/384214836.db2.gz AMCKFTKJVGOJCY-QWRGUYRKSA-N 0 3 221.304 0.722 20 0 BCADHN CN(C)c1ncc(NC(=O)[C@H]2NCC2(C)C)cn1 ZINC000644155051 384218694 /nfs/dbraw/zinc/21/86/94/384218694.db2.gz UNLTYOLUYYROFU-SECBINFHSA-N 0 3 249.318 0.479 20 0 BCADHN O[C@@H]1CCCN(CCc2cnccn2)C1 ZINC000402891583 384220421 /nfs/dbraw/zinc/22/04/21/384220421.db2.gz FUFCWASBXSPXRL-LLVKDONJSA-N 0 3 207.277 0.476 20 0 BCADHN C[C@H](O)CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000126924705 384220905 /nfs/dbraw/zinc/22/09/05/384220905.db2.gz DNLIPGDIJZOMBC-VLEAKVRGSA-N 0 3 228.336 0.745 20 0 BCADHN Cc1nnc(NC(=O)[C@H]2NCC2(C)C)n1C ZINC000644159066 384225378 /nfs/dbraw/zinc/22/53/78/384225378.db2.gz SYJQFTZBVSQLFO-SSDOTTSWSA-N 0 3 223.280 0.060 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@@H](C)CO)n1 ZINC000082424844 384226830 /nfs/dbraw/zinc/22/68/30/384226830.db2.gz CYQAEJCZKMYXHX-MRVPVSSYSA-N 0 3 210.277 0.814 20 0 BCADHN Cn1cncc1CNCCN1CCCC1 ZINC000082393959 384227359 /nfs/dbraw/zinc/22/73/59/384227359.db2.gz VGADWHLJNNQFRW-UHFFFAOYSA-N 0 3 208.309 0.606 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000623716363 384227253 /nfs/dbraw/zinc/22/72/53/384227253.db2.gz NOTIOOQYNQMXDN-GMTAPVOTSA-N 0 3 241.335 0.557 20 0 BCADHN Cc1ncc(CN[C@@H]2CCC(=O)NC2)s1 ZINC000082432973 384227812 /nfs/dbraw/zinc/22/78/12/384227812.db2.gz NBBLHVQRXPWFNU-MRVPVSSYSA-N 0 3 225.317 0.820 20 0 BCADHN CCN(CC)S(=O)(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000069629044 384246817 /nfs/dbraw/zinc/24/68/17/384246817.db2.gz KXHDOCDEXPETJO-AOOOYVTPSA-N 0 3 249.380 0.255 20 0 BCADHN CCOCCNC(=O)[C@@H](N)[C@H](C)CC ZINC000036230200 384249153 /nfs/dbraw/zinc/24/91/53/384249153.db2.gz WJUKWQFBTWDQKQ-BDAKNGLRSA-N 0 3 202.298 0.513 20 0 BCADHN CC[C@](C)(CN[C@@H](CO)COC)OC ZINC000319449818 384249148 /nfs/dbraw/zinc/24/91/48/384249148.db2.gz MYLOBQJTNKVRDV-VHSXEESVSA-N 0 3 205.298 0.398 20 0 BCADHN CC[C@@](C)(CN[C@H]1CC(=O)N(C)C1)OC ZINC000319450429 384249933 /nfs/dbraw/zinc/24/99/33/384249933.db2.gz MZIHYICXHRINPI-ONGXEEELSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1C[C@@H](N[C@H]2CCCCNC2=O)CO1 ZINC000401906233 384253301 /nfs/dbraw/zinc/25/33/01/384253301.db2.gz UBCUNGJJXIDFAV-BBBLOLIVSA-N 0 3 212.293 0.422 20 0 BCADHN COc1cc(C)ccc1CNC(=O)[C@@H](C)N ZINC000119278289 384253709 /nfs/dbraw/zinc/25/37/09/384253709.db2.gz SJCQVKHZCPYEPK-SECBINFHSA-N 0 3 222.288 0.967 20 0 BCADHN CC(C)NC(=O)CCNC(C)(C)C(=O)N(C)C ZINC000533386663 384255048 /nfs/dbraw/zinc/25/50/48/384255048.db2.gz PEYLOMYXVXUYJH-UHFFFAOYSA-N 0 3 243.351 0.358 20 0 BCADHN CCCN(CCO)CCc1cnccn1 ZINC000402921085 384261989 /nfs/dbraw/zinc/26/19/89/384261989.db2.gz ONRVHBLEZMQBAX-UHFFFAOYSA-N 0 3 209.293 0.723 20 0 BCADHN Cc1nocc1CN[C@H](C)CN1CCOCC1 ZINC000294045058 384268983 /nfs/dbraw/zinc/26/89/83/384268983.db2.gz IXSHZFJLIXLCPI-SNVBAGLBSA-N 0 3 239.319 0.793 20 0 BCADHN Cc1nc(C)c(CCNC(=O)C2(N)CC2)s1 ZINC000237602417 384308196 /nfs/dbraw/zinc/30/81/96/384308196.db2.gz YARREFYHCMHLAM-UHFFFAOYSA-N 0 3 239.344 0.910 20 0 BCADHN CCS(=O)(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000069731432 384317809 /nfs/dbraw/zinc/31/78/09/384317809.db2.gz UHSKSDFEQRVNEE-JTQLQIEISA-N 0 3 240.328 0.726 20 0 BCADHN CCN(C)CCNC(=O)c1cnsn1 ZINC000119978437 384320666 /nfs/dbraw/zinc/32/06/66/384320666.db2.gz XZMXOPUKLIRACX-UHFFFAOYSA-N 0 3 214.294 0.220 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2(N)CCCC2)CO1 ZINC000335437026 384279940 /nfs/dbraw/zinc/27/99/40/384279940.db2.gz FXYJVLPJFUQUJT-RKDXNWHRSA-N 0 3 212.293 0.552 20 0 BCADHN CO[C@@H]1CN(CCC[C@H](C)O)C[C@H]1OC ZINC000300043373 384280210 /nfs/dbraw/zinc/28/02/10/384280210.db2.gz WOMQECMKMRENHE-HBNTYKKESA-N 0 3 217.309 0.493 20 0 BCADHN C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000569577088 384280557 /nfs/dbraw/zinc/28/05/57/384280557.db2.gz LLQKMCRKMSLFKZ-HTQZYQBOSA-N 0 3 247.302 0.814 20 0 BCADHN CCOC[C@@H](O)CN1CC[C@H](OC)C1 ZINC000300036406 384281739 /nfs/dbraw/zinc/28/17/39/384281739.db2.gz AJBRYBBGOUNQQB-UWVGGRQHSA-N 0 3 203.282 0.105 20 0 BCADHN CO[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1OC ZINC000300043372 384281937 /nfs/dbraw/zinc/28/19/37/384281937.db2.gz WOMQECMKMRENHE-GMTAPVOTSA-N 0 3 217.309 0.493 20 0 BCADHN CN(C)CCNC(=O)NCCCn1cccn1 ZINC000133397850 384290570 /nfs/dbraw/zinc/29/05/70/384290570.db2.gz VTTKACLKLZJTHI-UHFFFAOYSA-N 0 3 239.323 0.134 20 0 BCADHN COC(=O)CCCCCNC(=O)C(C)(C)N ZINC000083357489 384292405 /nfs/dbraw/zinc/29/24/05/384292405.db2.gz QBYOBXDUZBQZNB-UHFFFAOYSA-N 0 3 230.308 0.573 20 0 BCADHN CSc1ccc(CNC[C@H](O)CO)cc1 ZINC000083355602 384293475 /nfs/dbraw/zinc/29/34/75/384293475.db2.gz PXAXYXCRTADUKD-JTQLQIEISA-N 0 3 227.329 0.851 20 0 BCADHN CN(C)CCNC(=O)NCc1cccc(O)c1 ZINC000133495448 384294741 /nfs/dbraw/zinc/29/47/41/384294741.db2.gz VBIHHZHKOSOCGE-UHFFFAOYSA-N 0 3 237.303 0.753 20 0 BCADHN COCc1cc(CNC(=O)[C@@H](C)N)ccc1F ZINC000159001441 384295890 /nfs/dbraw/zinc/29/58/90/384295890.db2.gz DGODABPFZZYGTI-MRVPVSSYSA-N 0 3 240.278 0.936 20 0 BCADHN COC(=O)CCCCNC(=O)C(C)(C)N ZINC000083348622 384297394 /nfs/dbraw/zinc/29/73/94/384297394.db2.gz VIQRAIDKMXDMBA-UHFFFAOYSA-N 0 3 216.281 0.183 20 0 BCADHN C[C@H](CNC(=O)[C@H](C)N)Oc1ccccc1 ZINC000083351918 384297648 /nfs/dbraw/zinc/29/76/48/384297648.db2.gz NFBYYUXDCPIUDR-ZJUUUORDSA-N 0 3 222.288 0.917 20 0 BCADHN CSC[C@@H](O)CN1CCC[C@H](NC(C)=O)C1 ZINC000187830960 384321919 /nfs/dbraw/zinc/32/19/19/384321919.db2.gz HIIKHWSHLIKPEN-QWRGUYRKSA-N 0 3 246.376 0.311 20 0 BCADHN CC[C@H](O)CN1CCN(CCCCO)CC1 ZINC000174091863 384300282 /nfs/dbraw/zinc/30/02/82/384300282.db2.gz RKSFNIHEORTNJL-LBPRGKRZSA-N 0 3 230.352 0.147 20 0 BCADHN CC[C@@H](O)CN1CCN(CCCCO)CC1 ZINC000174091873 384300883 /nfs/dbraw/zinc/30/08/83/384300883.db2.gz RKSFNIHEORTNJL-GFCCVEGCSA-N 0 3 230.352 0.147 20 0 BCADHN Nc1cccc(C(=O)N2CCCNCC2)n1 ZINC000332202212 384302302 /nfs/dbraw/zinc/30/23/02/384302302.db2.gz CMOVNSJQXBMRFK-UHFFFAOYSA-N 0 3 220.276 0.099 20 0 BCADHN CC[C@H](CO)N1CCN([C@@H](C)COC)CC1 ZINC000174134451 384303533 /nfs/dbraw/zinc/30/35/33/384303533.db2.gz MSWBERVPNMLFOZ-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1noc(C)n1 ZINC000158970174 384322135 /nfs/dbraw/zinc/32/21/35/384322135.db2.gz HIQJCJWUTSZCRE-MUWHJKNJSA-N 0 3 226.280 0.368 20 0 BCADHN O=C1CCCN1CCNCc1ccc(CO)cc1 ZINC000405449750 384338630 /nfs/dbraw/zinc/33/86/30/384338630.db2.gz OQHUBLPWPYFJSZ-UHFFFAOYSA-N 0 3 248.326 0.891 20 0 BCADHN CC(C)CC[C@@H](O)CNCC(=O)N1CCCC1 ZINC000518757945 384342201 /nfs/dbraw/zinc/34/22/01/384342201.db2.gz PAVOFZQEEHGOAM-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](CNCc1ncc[nH]1)CN1CCOCC1 ZINC000120273692 384344898 /nfs/dbraw/zinc/34/48/98/384344898.db2.gz XWDXOYDAGMSSTL-LLVKDONJSA-N 0 3 238.335 0.468 20 0 BCADHN CNCC(=O)N1CCO[C@H](C(C)C)C1 ZINC000083940445 384345686 /nfs/dbraw/zinc/34/56/86/384345686.db2.gz GFMUOBLQMCDGMQ-VIFPVBQESA-N 0 3 200.282 0.089 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CCC[C@]1(C)CO ZINC000330364815 384373792 /nfs/dbraw/zinc/37/37/92/384373792.db2.gz XSUAHFDWCABPPI-ZYHUDNBSSA-N 0 3 228.336 0.605 20 0 BCADHN Cc1cccc2c1OCC[C@H]2NC(=O)CN ZINC000083931737 384348659 /nfs/dbraw/zinc/34/86/59/384348659.db2.gz OSAWMYWURCQRNS-SNVBAGLBSA-N 0 3 220.272 0.894 20 0 BCADHN O=S(=O)(CC1CCC1)N[C@H]1CCCNC1 ZINC000335586617 384351295 /nfs/dbraw/zinc/35/12/95/384351295.db2.gz NMVLKYNJPRTOBV-JTQLQIEISA-N 0 3 232.349 0.458 20 0 BCADHN CNCC(=O)N1CCOc2cc(C)ccc21 ZINC000083945287 384351744 /nfs/dbraw/zinc/35/17/44/384351744.db2.gz CWHNILRVGCVZGD-UHFFFAOYSA-N 0 3 220.272 0.940 20 0 BCADHN CN(C)[C@@]1(CNC(=O)C2CC2)CCSC1 ZINC000359672165 384351839 /nfs/dbraw/zinc/35/18/39/384351839.db2.gz BMCOGHRKMATLBS-LLVKDONJSA-N 0 3 228.361 0.950 20 0 BCADHN Cn1cc(C[C@@H]2CCN([C@@H]3CCNC3=O)C2)cn1 ZINC000361292331 384353542 /nfs/dbraw/zinc/35/35/42/384353542.db2.gz CKFFYOLHACDCJY-CMPLNLGQSA-N 0 3 248.330 0.173 20 0 BCADHN CN(CCCS(C)(=O)=O)CC1CCOCC1 ZINC000120535722 384360464 /nfs/dbraw/zinc/36/04/64/384360464.db2.gz GQRHYKWBOUKQHV-UHFFFAOYSA-N 0 3 249.376 0.780 20 0 BCADHN CC[C@H](C)C[C@@H](C)NC(=O)[C@H](CN)OC ZINC000300377501 384360889 /nfs/dbraw/zinc/36/08/89/384360889.db2.gz QOSTUKMCPAQLBT-AEJSXWLSSA-N 0 3 216.325 0.901 20 0 BCADHN CCCC[C@H](N)C(=O)NCc1c[nH]cn1 ZINC000084081080 384361785 /nfs/dbraw/zinc/36/17/85/384361785.db2.gz LJIATZVFRGTPKT-VIFPVBQESA-N 0 3 210.281 0.543 20 0 BCADHN C[C@@H](N[C@@H](C)CCS(C)(=O)=O)c1cn[nH]c1 ZINC000330364008 384363843 /nfs/dbraw/zinc/36/38/43/384363843.db2.gz BWWFXRHYEMCNIN-DTWKUNHWSA-N 0 3 245.348 0.884 20 0 BCADHN CC[C@H](N[C@@]1(C)CCO[C@H]1C)C(N)=O ZINC000300368471 384365335 /nfs/dbraw/zinc/36/53/35/384365335.db2.gz PDJJDPASXRNZFR-NRPADANISA-N 0 3 200.282 0.407 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000068219343 384326906 /nfs/dbraw/zinc/32/69/06/384326906.db2.gz XYVNSNBRFXAWHT-BDAKNGLRSA-N 0 3 241.335 0.110 20 0 BCADHN O[C@H](CN1CC(C2CC2)C1)CN1CCOCC1 ZINC000642924498 384326946 /nfs/dbraw/zinc/32/69/46/384326946.db2.gz WNAZYGRQRYDLAG-ZDUSSCGKSA-N 0 3 240.347 0.021 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1CO[C@H](C)C1 ZINC000401955180 384332203 /nfs/dbraw/zinc/33/22/03/384332203.db2.gz YJOLFWMEZFDEKK-HRDYMLBCSA-N 0 3 200.282 0.278 20 0 BCADHN CO[C@@H](C)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000335570798 384333141 /nfs/dbraw/zinc/33/31/41/384333141.db2.gz JIONGFKSEPOKNO-CMPLNLGQSA-N 0 3 226.320 0.576 20 0 BCADHN NC1(C(=O)NCCc2ccccn2)CC1 ZINC000083833987 384334464 /nfs/dbraw/zinc/33/44/64/384334464.db2.gz BLCPVULGBWCCJR-UHFFFAOYSA-N 0 3 205.261 0.232 20 0 BCADHN C[C@H](c1ccncc1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000625711045 384392648 /nfs/dbraw/zinc/39/26/48/384392648.db2.gz CNHXTWCVSRZICD-WXHSDQCUSA-N 0 3 236.315 0.675 20 0 BCADHN CC[C@H](CO)N1CCN(C[C@H]2CCCO2)CC1 ZINC000075959304 384392814 /nfs/dbraw/zinc/39/28/14/384392814.db2.gz VSABDCVPWHTXQD-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN CN1C(=O)CC[C@H](N[C@@H]2CCSC2)C1=O ZINC000084406611 384394981 /nfs/dbraw/zinc/39/49/81/384394981.db2.gz CHTZDQLHWFESRL-SFYZADRCSA-N 0 3 228.317 0.229 20 0 BCADHN COCCOCCN(CCO)C[C@H]1CCCO1 ZINC000625756728 384399157 /nfs/dbraw/zinc/39/91/57/384399157.db2.gz WFNWFZXZAGIUJF-GFCCVEGCSA-N 0 3 247.335 0.123 20 0 BCADHN CN(CCO)CCC(=O)N(C)c1ccccc1 ZINC000134977168 384405323 /nfs/dbraw/zinc/40/53/23/384405323.db2.gz XKUSWUSWOWAQFB-UHFFFAOYSA-N 0 3 236.315 0.964 20 0 BCADHN C[C@H]1C[C@@H](O)CN1CCCN1CCCC1=O ZINC000530519336 384407186 /nfs/dbraw/zinc/40/71/86/384407186.db2.gz YOLFCUAHLNMISD-WDEREUQCSA-N 0 3 226.320 0.454 20 0 BCADHN Cn1c2cc(NC(=O)C(C)(C)N)ccc2oc1=O ZINC000077426741 384408122 /nfs/dbraw/zinc/40/81/22/384408122.db2.gz DBNVUHHAXKKCJX-UHFFFAOYSA-N 0 3 249.270 0.807 20 0 BCADHN CN1CCC(O)(CNC(=O)[C@]2(C)C[C@@H]2F)CC1 ZINC000335633619 384409252 /nfs/dbraw/zinc/40/92/52/384409252.db2.gz LJFUWRZYKGQOQO-GXSJLCMTSA-N 0 3 244.310 0.307 20 0 BCADHN Cn1nccc1CNCCNC(=O)C1CC1 ZINC000135057745 384409428 /nfs/dbraw/zinc/40/94/28/384409428.db2.gz PIFXTBNZXIJRGB-UHFFFAOYSA-N 0 3 222.292 0.036 20 0 BCADHN C[C@H](NCCCc1ncn(C)n1)c1cn[nH]c1 ZINC000647327303 384416417 /nfs/dbraw/zinc/41/64/17/384416417.db2.gz XYMLYAMBYCFJBC-VIFPVBQESA-N 0 3 234.307 0.822 20 0 BCADHN CS(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000046036610 384417856 /nfs/dbraw/zinc/41/78/56/384417856.db2.gz PANOJVZCFGKTCB-RKDXNWHRSA-N 0 3 218.322 0.162 20 0 BCADHN O[C@H](CN[C@H]1CCOC1)COc1ccccc1 ZINC000095015519 384419731 /nfs/dbraw/zinc/41/97/31/384419731.db2.gz OYWJEVYLCXWGAL-NWDGAFQWSA-N 0 3 237.299 0.805 20 0 BCADHN CC(C)[C@H](C)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188207297 384376357 /nfs/dbraw/zinc/37/63/57/384376357.db2.gz OBOZAFBRAQPWOD-XHNCKOQMSA-N 0 3 202.273 0.847 20 0 BCADHN CC(C)N1CCN(CCn2ccnc2)CC1 ZINC000120780750 384379335 /nfs/dbraw/zinc/37/93/35/384379335.db2.gz PKQQPAGTGGDHAB-UHFFFAOYSA-N 0 3 222.336 0.909 20 0 BCADHN C[C@H](C(N)=O)N1CCC2(C1)CCOCC2 ZINC000308909131 384383085 /nfs/dbraw/zinc/38/30/85/384383085.db2.gz FXWYYOOUWNLCCM-SECBINFHSA-N 0 3 212.293 0.363 20 0 BCADHN CC[C@@](C)(O)CNCc1cc(C)nn1C ZINC000084244796 384383713 /nfs/dbraw/zinc/38/37/13/384383713.db2.gz NLMQTTQGQAYXCK-LLVKDONJSA-N 0 3 211.309 0.979 20 0 BCADHN CC[C@H](N[C@H](C)C(=O)NC(N)=O)[C@H]1CCCO1 ZINC000248570685 384390736 /nfs/dbraw/zinc/39/07/36/384390736.db2.gz FZGJTSCCHHCHBX-HRDYMLBCSA-N 0 3 243.307 0.117 20 0 BCADHN CCOC[C@H](O)CN[C@H](C)[C@@H](O)C(F)(F)F ZINC000647515091 384446325 /nfs/dbraw/zinc/44/63/25/384446325.db2.gz OXEZLGSBUCNCQJ-BWZBUEFSSA-N 0 3 245.241 0.285 20 0 BCADHN O=C(N[C@H]1CC12CC2)[C@H]1CNCCC1(F)F ZINC000648179859 384451807 /nfs/dbraw/zinc/45/18/07/384451807.db2.gz CXIAJSFBKCKFGQ-SFYZADRCSA-N 0 3 230.258 0.900 20 0 BCADHN CC[C@@H](C(=O)N(C)C[C@H](C)O)N(C)C ZINC000122029552 384452466 /nfs/dbraw/zinc/45/24/66/384452466.db2.gz VJSZYWFEYQWMSR-IUCAKERBSA-N 0 3 202.298 0.166 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H]([C@@H](C)O)C1 ZINC000181017430 384431523 /nfs/dbraw/zinc/43/15/23/384431523.db2.gz CRBIKRWXLFPTBH-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN CN(C)Cc1ccc(CNS(N)(=O)=O)cc1 ZINC000076105986 384432716 /nfs/dbraw/zinc/43/27/16/384432716.db2.gz MFXRPWJNBMPTMC-UHFFFAOYSA-N 0 3 243.332 0.041 20 0 BCADHN CC[C@H](C)N1CCN(CC(=O)NC(C)C)CC1 ZINC000181088341 384435927 /nfs/dbraw/zinc/43/59/27/384435927.db2.gz TYHHTBVNMUOMIQ-LBPRGKRZSA-N 0 3 241.379 0.927 20 0 BCADHN CNC(=O)CC[NH2+]Cc1nc(C)ccc1[O-] ZINC000078739397 384459677 /nfs/dbraw/zinc/45/96/77/384459677.db2.gz QTOAHIJTKZKVSN-UHFFFAOYSA-N 0 3 223.276 0.321 20 0 BCADHN C[C@H](CC(N)=O)NC[C@@H](O)c1cccc(F)c1 ZINC000135722609 384461720 /nfs/dbraw/zinc/46/17/20/384461720.db2.gz VLODWAFWPOCTFZ-LDYMZIIASA-N 0 3 240.278 0.713 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@H](CC)C1 ZINC000036871777 384462527 /nfs/dbraw/zinc/46/25/27/384462527.db2.gz FKHAYLXXWNZVTR-BDAKNGLRSA-N 0 3 200.282 0.361 20 0 BCADHN C[C@@H]1NCCN(C(=O)N2CCOCC2)[C@H]1C ZINC000335662195 384466973 /nfs/dbraw/zinc/46/69/73/384466973.db2.gz GHPJRHMTSGUJDU-UWVGGRQHSA-N 0 3 227.308 0.121 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)Cn1ccnc1 ZINC000036999449 384467487 /nfs/dbraw/zinc/46/74/87/384467487.db2.gz CEUWCCDKYXCEHR-BDAKNGLRSA-N 0 3 210.281 0.125 20 0 BCADHN C[C@@H](CO)CNCc1ccnn1-c1ccccn1 ZINC000647175127 384469929 /nfs/dbraw/zinc/46/99/29/384469929.db2.gz ZADTWTGPYLKKTG-LLVKDONJSA-N 0 3 246.314 0.985 20 0 BCADHN CSCCCCNC(=O)C1(N)CCOCC1 ZINC000159672216 384470347 /nfs/dbraw/zinc/47/03/47/384470347.db2.gz JSNXKXDYSAQZJO-UHFFFAOYSA-N 0 3 246.376 0.754 20 0 BCADHN CCCN(C)S(=O)(=O)N1CCNCC1(C)C ZINC000647228366 384486240 /nfs/dbraw/zinc/48/62/40/384486240.db2.gz VZYLYQNKMRTZAB-UHFFFAOYSA-N 0 3 249.380 0.257 20 0 BCADHN C[C@H](CNc1cnn(C)c(=O)c1Cl)N(C)C ZINC000135982552 384475632 /nfs/dbraw/zinc/47/56/32/384475632.db2.gz BYYVRUXMGGGPKU-SSDOTTSWSA-N 0 3 244.726 0.796 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C)ns1 ZINC000096782643 384477153 /nfs/dbraw/zinc/47/71/53/384477153.db2.gz FNHJGBURLKORJF-UHFFFAOYSA-N 0 3 213.306 0.743 20 0 BCADHN C[C@H](O)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000136081154 384479190 /nfs/dbraw/zinc/47/91/90/384479190.db2.gz SJHVTBKTWKEXIN-CMPLNLGQSA-N 0 3 236.315 0.786 20 0 BCADHN CNC(=O)CCNCc1ccnn1CC(C)C ZINC000647175812 384486131 /nfs/dbraw/zinc/48/61/31/384486131.db2.gz HXAWUVWPFGXJNQ-UHFFFAOYSA-N 0 3 238.335 0.765 20 0 BCADHN O=C(CO)NC[C@H](c1ccccc1)N1CCCC1 ZINC000136167321 384484585 /nfs/dbraw/zinc/48/45/85/384484585.db2.gz VYPFXDNXECIIAF-CYBMUJFWSA-N 0 3 248.326 0.932 20 0 BCADHN CCC(C)(C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000556711040 384458824 /nfs/dbraw/zinc/45/88/24/384458824.db2.gz FKHBXEGMGYTOQT-NSHDSACASA-N 0 3 239.363 0.681 20 0 BCADHN CNC(=O)CCCNCc1cncnc1OC ZINC000647176739 384496405 /nfs/dbraw/zinc/49/64/05/384496405.db2.gz XLBGRAWVQZLUQE-UHFFFAOYSA-N 0 3 238.291 0.101 20 0 BCADHN C[C@@H]1[C@H](CO)CCN1CC(=O)N1CCCCC1 ZINC000335812562 384500417 /nfs/dbraw/zinc/50/04/17/384500417.db2.gz OKDRMNZAIGKIAP-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN CCCN[C@H](C)C(=O)NCC(=O)NC(C)C ZINC000569600500 384501338 /nfs/dbraw/zinc/50/13/38/384501338.db2.gz VYLOJWZBJDXWFC-SECBINFHSA-N 0 3 229.324 0.015 20 0 BCADHN CSC[C@@H](O)CN1CCC[C@@H](O)C1 ZINC000249285133 384501586 /nfs/dbraw/zinc/50/15/86/384501586.db2.gz RRAWFDJOMPLYGZ-BDAKNGLRSA-N 0 3 205.323 0.167 20 0 BCADHN COC(=O)CNC(=O)[C@@H](C)N1CCC[C@@H](C)C1 ZINC000249297428 384502006 /nfs/dbraw/zinc/50/20/06/384502006.db2.gz BZNIFWQMYWTPCB-NXEZZACHSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CN ZINC000122746145 384507556 /nfs/dbraw/zinc/50/75/56/384507556.db2.gz HPLCLFNVIXABMI-GZMMTYOYSA-N 0 3 240.278 0.713 20 0 BCADHN CN(C)CCNC(=O)c1ccc(Cl)nn1 ZINC000037485509 384508089 /nfs/dbraw/zinc/50/80/89/384508089.db2.gz RUBHSOQMHPGDMW-UHFFFAOYSA-N 0 3 228.683 0.421 20 0 BCADHN CCc1ncc(S(=O)(=O)[N-]C[C@@H](C)[NH3+])s1 ZINC000647273994 384508147 /nfs/dbraw/zinc/50/81/47/384508147.db2.gz QLBZAIYZHZFOQS-ZCFIWIBFSA-N 0 3 249.361 0.331 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000122767815 384508230 /nfs/dbraw/zinc/50/82/30/384508230.db2.gz LUORVTMGBDJZKN-KPQFEUGASA-N 0 3 216.284 0.788 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H](C)CS(C)(=O)=O ZINC000161601862 384508265 /nfs/dbraw/zinc/50/82/65/384508265.db2.gz IJIRSWKNXFJHNC-HRDYMLBCSA-N 0 3 223.338 0.433 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)[C@H]1CCSC1 ZINC000037175073 384487105 /nfs/dbraw/zinc/48/71/05/384487105.db2.gz BWPOKYIZGIFCQG-DTWKUNHWSA-N 0 3 216.350 0.934 20 0 BCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H]1C[C@@H]([NH3+])C1 ZINC000647271646 384492473 /nfs/dbraw/zinc/49/24/73/384492473.db2.gz AEXMIVKLSQMUAP-OCAPTIKFSA-N 0 3 245.304 0.059 20 0 BCADHN CC(C)CN(CCNS(C)(=O)=O)C1CC1 ZINC000170958134 384534305 /nfs/dbraw/zinc/53/43/05/384534305.db2.gz ZLMISEDDGHBLOY-UHFFFAOYSA-N 0 3 234.365 0.656 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)NC[C@@H]1CCCN1C ZINC000151039274 384535799 /nfs/dbraw/zinc/53/57/99/384535799.db2.gz XOZYCNQLTDQJNC-MNOVXSKESA-N 0 3 243.351 0.493 20 0 BCADHN CCN(CC)S(=O)(=O)N1C[C@@H](C)NC[C@H]1C ZINC000249825091 384522408 /nfs/dbraw/zinc/52/24/08/384522408.db2.gz MWXDLBYYFZHJGL-NXEZZACHSA-N 0 3 249.380 0.255 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000150903297 384522677 /nfs/dbraw/zinc/52/26/77/384522677.db2.gz WRIMNCWFSNIXNM-GXSJLCMTSA-N 0 3 230.283 0.325 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC(C)(CO)CC1 ZINC000330850698 384527989 /nfs/dbraw/zinc/52/79/89/384527989.db2.gz PRFCDJUOZFJWNE-GFCCVEGCSA-N 0 3 245.319 0.005 20 0 BCADHN CCOCCNC(=O)CN1CC[C@@H](C)[C@@H]1C ZINC000176024408 384527993 /nfs/dbraw/zinc/52/79/93/384527993.db2.gz ADOGDQYGIFCWDQ-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN(CCC2CC2)C1 ZINC000533545575 384530858 /nfs/dbraw/zinc/53/08/58/384530858.db2.gz JILACTXXYRXFAQ-SNVBAGLBSA-N 0 3 232.349 0.410 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC[C@H](CO)CC1 ZINC000336119829 384533035 /nfs/dbraw/zinc/53/30/35/384533035.db2.gz SXSIDQHSIOHUHT-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@@H](C)CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000123088591 384533918 /nfs/dbraw/zinc/53/39/18/384533918.db2.gz FNAQTFNCCZQKAX-BBBLOLIVSA-N 0 3 214.309 0.607 20 0 BCADHN CCCNC(=O)C[C@@H]1CSCCN1 ZINC000085612326 384544163 /nfs/dbraw/zinc/54/41/63/384544163.db2.gz YIKBCJOZWMMFTP-MRVPVSSYSA-N 0 3 202.323 0.608 20 0 BCADHN C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccncc1 ZINC000271050829 384544261 /nfs/dbraw/zinc/54/42/61/384544261.db2.gz AJMZHERNMOTYBB-MWLCHTKSSA-N 0 3 219.288 0.963 20 0 BCADHN CCN(CCO)CCNC(=O)c1ccc(C)o1 ZINC000183984155 384545783 /nfs/dbraw/zinc/54/57/83/384545783.db2.gz KERWDLXMYNJSGA-UHFFFAOYSA-N 0 3 240.303 0.632 20 0 BCADHN C[C@@H]1CCCN1C(=O)C[C@H]1CNCCO1 ZINC000085619572 384545994 /nfs/dbraw/zinc/54/59/94/384545994.db2.gz JQYURXRTBVMTCU-ZJUUUORDSA-N 0 3 212.293 0.376 20 0 BCADHN O=C(C[C@H]1CSCCN1)NCC1CC1 ZINC000085612539 384546485 /nfs/dbraw/zinc/54/64/85/384546485.db2.gz IDSZHKMVSIOJBI-VIFPVBQESA-N 0 3 214.334 0.608 20 0 BCADHN CSCCCNC(=O)C[C@H]1CNCCO1 ZINC000085620255 384547217 /nfs/dbraw/zinc/54/72/17/384547217.db2.gz VKWXROMQMJZVDE-VIFPVBQESA-N 0 3 232.349 0.234 20 0 BCADHN C[C@@H]1C[C@H](N(C)C(=O)c2cc[nH]n2)CCN1C ZINC000123293727 384547248 /nfs/dbraw/zinc/54/72/48/384547248.db2.gz CUPORTIIAHMIIE-NXEZZACHSA-N 0 3 236.319 0.964 20 0 BCADHN C[C@H]1CCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000085613743 384547680 /nfs/dbraw/zinc/54/76/80/384547680.db2.gz TUYQMUFICFEUON-VHSXEESVSA-N 0 3 228.361 0.950 20 0 BCADHN C[C@@H]1CCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000085613737 384548627 /nfs/dbraw/zinc/54/86/27/384548627.db2.gz TUYQMUFICFEUON-NXEZZACHSA-N 0 3 228.361 0.950 20 0 BCADHN CCN(CCO)CCNC(=O)c1ccco1 ZINC000183996881 384550597 /nfs/dbraw/zinc/55/05/97/384550597.db2.gz ISMKTDLUYVYZQM-UHFFFAOYSA-N 0 3 226.276 0.324 20 0 BCADHN CCN(C)C(=O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000305926377 384553843 /nfs/dbraw/zinc/55/38/43/384553843.db2.gz NNUWCHKOTZRXGV-LLVKDONJSA-N 0 3 239.323 0.412 20 0 BCADHN CC(C)COCCN[C@@H](CO)[C@H]1CCCO1 ZINC000309715590 384555989 /nfs/dbraw/zinc/55/59/89/384555989.db2.gz YQEDPYNNNCBZSK-NWDGAFQWSA-N 0 3 231.336 0.789 20 0 BCADHN CN(C)CCS[C@@H]1CCCNC1=O ZINC000308280637 384558294 /nfs/dbraw/zinc/55/82/94/384558294.db2.gz XOJQLWVKMLYNGZ-MRVPVSSYSA-N 0 3 202.323 0.560 20 0 BCADHN Cc1cnc(CNC[C@H]2CC[C@@H](O)C2)n1C ZINC000309726693 384560189 /nfs/dbraw/zinc/56/01/89/384560189.db2.gz YEINDEZDNRICKM-WDEREUQCSA-N 0 3 223.320 0.979 20 0 BCADHN CC[C@H](C)[C@H](O)CNC[C@@H](O)C(F)(F)F ZINC000647523774 384560459 /nfs/dbraw/zinc/56/04/59/384560459.db2.gz HMHCUOUYWCYONU-XLPZGREQSA-N 0 3 229.242 0.906 20 0 BCADHN CO[C@@H]1[C@@H](C)[C@@H](NC2CN(C(C)=O)C2)C1(C)C ZINC000568238989 384560905 /nfs/dbraw/zinc/56/09/05/384560905.db2.gz GEIRGIYTEDKRAA-XXILOJSOSA-N 0 3 240.347 0.866 20 0 BCADHN Cc1cnc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cn1 ZINC000357423729 384537745 /nfs/dbraw/zinc/53/77/45/384537745.db2.gz VUFKFJOBERYMHP-GHMZBOCLSA-N 0 3 248.330 0.998 20 0 BCADHN CN(C[C@@H]1CCCO1)C(=O)[C@@]1(F)CCNC1 ZINC000151098143 384538711 /nfs/dbraw/zinc/53/87/11/384538711.db2.gz LCRPWWSKHWXLKT-GXSJLCMTSA-N 0 3 230.283 0.325 20 0 BCADHN CN(C[C@H]1CCCO1)C(=O)[C@@]1(F)CCNC1 ZINC000151098193 384540267 /nfs/dbraw/zinc/54/02/67/384540267.db2.gz LCRPWWSKHWXLKT-MWLCHTKSSA-N 0 3 230.283 0.325 20 0 BCADHN CCOC[C@H](O)CN1CC[C@H](O)[C@H](C)C1 ZINC000164625035 384590304 /nfs/dbraw/zinc/59/03/04/384590304.db2.gz CSANPKVWCXVMHM-MXWKQRLJSA-N 0 3 217.309 0.087 20 0 BCADHN Cc1[nH]ccc1C(=O)N(C)CCN(C)C ZINC000176180886 384570259 /nfs/dbraw/zinc/57/02/59/384570259.db2.gz JNGMCAQHJHKQFW-UHFFFAOYSA-N 0 3 209.293 0.957 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)C1(N)CC1 ZINC000236814589 384571796 /nfs/dbraw/zinc/57/17/96/384571796.db2.gz YSDDCDRQUHLIBV-MRVPVSSYSA-N 0 3 200.282 0.001 20 0 BCADHN COC[C@@H](NC[C@H](C)O)[C@@H]1CCCO1 ZINC000517927091 384574162 /nfs/dbraw/zinc/57/41/62/384574162.db2.gz YSPSSRPZSLTFCJ-AEJSXWLSSA-N 0 3 203.282 0.151 20 0 BCADHN Cc1cnc(C(=O)N2CCN[C@H](C)[C@H]2C)cn1 ZINC000262823124 384575509 /nfs/dbraw/zinc/57/55/09/384575509.db2.gz SXCFXAUDZBPAOF-NXEZZACHSA-N 0 3 234.303 0.607 20 0 BCADHN CC[C@H](NC(=O)[C@H](CN)OC)C(C)(C)C ZINC000309757294 384578726 /nfs/dbraw/zinc/57/87/26/384578726.db2.gz HUPKICDOHQSDRP-IUCAKERBSA-N 0 3 216.325 0.901 20 0 BCADHN CN(C)C1(CNc2nccn(C)c2=O)CCC1 ZINC000097934379 384579166 /nfs/dbraw/zinc/57/91/66/384579166.db2.gz HJYKNJINLZVMKU-UHFFFAOYSA-N 0 3 236.319 0.677 20 0 BCADHN O=C1OC[C@@H]2CN([C@@H]3CCCC[C@@H]3O)CCN12 ZINC000363472560 384585281 /nfs/dbraw/zinc/58/52/81/384585281.db2.gz RNVDEGPJFXMJSE-AXFHLTTASA-N 0 3 240.303 0.426 20 0 BCADHN CN(Cc1cnn(C)c1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188696843 384587778 /nfs/dbraw/zinc/58/77/78/384587778.db2.gz XFBLOFPBWAOBNT-VHSXEESVSA-N 0 3 240.282 0.079 20 0 BCADHN C[C@@H]1C[C@@H](N[C@H]2CC(=O)N(C)C2)CS1 ZINC000307415269 384589838 /nfs/dbraw/zinc/58/98/38/384589838.db2.gz IMLNFSPUJKGMLU-HRDYMLBCSA-N 0 3 214.334 0.701 20 0 BCADHN CCNC(=O)[C@@H](C)NC(=O)[C@@H](N)[C@@H](C)CC ZINC000040461634 384566334 /nfs/dbraw/zinc/56/63/34/384566334.db2.gz WHDCGQGJOBMEFY-YIZRAAEISA-N 0 3 229.324 0.001 20 0 BCADHN Cc1[nH]ncc1CN1CCNC(=O)[C@@H]1C ZINC000123541692 384567309 /nfs/dbraw/zinc/56/73/09/384567309.db2.gz WWGJATPXCQKUFU-QMMMGPOBSA-N 0 3 208.265 0.038 20 0 BCADHN CC(C)[C@@H](CO)N[C@@H](C)CS(C)(=O)=O ZINC000086122218 384606261 /nfs/dbraw/zinc/60/62/61/384606261.db2.gz NMFBYTMHIYMMMH-DTWKUNHWSA-N 0 3 223.338 0.026 20 0 BCADHN CCCCNC(=O)CN(CCO)[C@H](C)CC ZINC000336650765 384609822 /nfs/dbraw/zinc/60/98/22/384609822.db2.gz HQNHMKZFKRTVGJ-LLVKDONJSA-N 0 3 230.352 0.996 20 0 BCADHN CCC1(CO)CCN(C(=O)[C@H](C)N)CC1 ZINC000158126950 384610986 /nfs/dbraw/zinc/61/09/86/384610986.db2.gz KKXZFFSLJCPKLH-VIFPVBQESA-N 0 3 214.309 0.345 20 0 BCADHN C[C@@H]1C[C@H](NC2COCCOC2)CS1 ZINC000306341418 384611352 /nfs/dbraw/zinc/61/13/52/384611352.db2.gz XLDRVBUCIBHXKJ-BDAKNGLRSA-N 0 3 217.334 0.885 20 0 BCADHN CC(C)[C@H](N)c1cn(CC(C)(C)O)nn1 ZINC000300858874 384611912 /nfs/dbraw/zinc/61/19/12/384611912.db2.gz GEGYQEVZDYVEEQ-VIFPVBQESA-N 0 3 212.297 0.705 20 0 BCADHN C[C@@H]1C[C@@H](NC2COCCOC2)CS1 ZINC000306341421 384613249 /nfs/dbraw/zinc/61/32/49/384613249.db2.gz XLDRVBUCIBHXKJ-RKDXNWHRSA-N 0 3 217.334 0.885 20 0 BCADHN COCCNCC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403270024 384613707 /nfs/dbraw/zinc/61/37/07/384613707.db2.gz QAZFAJWUKVAYRE-UTUOFQBUSA-N 0 3 240.347 0.775 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000556896316 384624757 /nfs/dbraw/zinc/62/47/57/384624757.db2.gz AXHULVJPTVILMK-ZMLRMANQSA-N 0 3 240.347 0.602 20 0 BCADHN COc1cc(C(=O)NC2CCN(C)CC2)on1 ZINC000184604880 384625156 /nfs/dbraw/zinc/62/51/56/384625156.db2.gz OAHFYMDDLZXBHS-UHFFFAOYSA-N 0 3 239.275 0.507 20 0 BCADHN CCN1CCC[C@@H](NC(=O)CN(C)C(C)=O)C1 ZINC000408038358 384627001 /nfs/dbraw/zinc/62/70/01/384627001.db2.gz KVNSXPITGFZCLH-LLVKDONJSA-N 0 3 241.335 0.065 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)C[C@@H]1CCOC1 ZINC000362499686 384627804 /nfs/dbraw/zinc/62/78/04/384627804.db2.gz QHEQYFSHYRICEZ-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN COC[C@H](O)CN(C)CCc1ccccn1 ZINC000050120580 384592029 /nfs/dbraw/zinc/59/20/29/384592029.db2.gz IUIWMWCXYOECLE-GFCCVEGCSA-N 0 3 224.304 0.563 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@H]1CNCCC1(F)F ZINC000648154681 384599523 /nfs/dbraw/zinc/59/95/23/384599523.db2.gz WDJVYYYRBVFUGV-JGVFFNPUSA-N 0 3 236.262 0.382 20 0 BCADHN C[C@H](CN[C@@H](C)c1ccc(=O)[nH]n1)N(C)C ZINC000309779245 384601093 /nfs/dbraw/zinc/60/10/93/384601093.db2.gz QQMFPNSOCNUJFQ-BDAKNGLRSA-N 0 3 224.308 0.371 20 0 BCADHN Cc1cc(CNCCCc2ncn(C)n2)nn1C ZINC000647231560 384665098 /nfs/dbraw/zinc/66/50/98/384665098.db2.gz BMGNIGUMFBWZPS-UHFFFAOYSA-N 0 3 248.334 0.579 20 0 BCADHN O=c1[nH]c2ccc(CNCC3(CO)CC3)cc2[nH]1 ZINC000258809694 384666947 /nfs/dbraw/zinc/66/69/47/384666947.db2.gz BKKIFNFXOPTVIA-UHFFFAOYSA-N 0 3 247.298 0.718 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N1CCC(O)CC1 ZINC000104245069 384668970 /nfs/dbraw/zinc/66/89/70/384668970.db2.gz UIIBPTXYJZAYQL-GFCCVEGCSA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)[C@@](C)(NC[C@@H]1CCCO1)C(N)=O ZINC000037942909 384669376 /nfs/dbraw/zinc/66/93/76/384669376.db2.gz BDJWNXCTGGUTBP-GXSJLCMTSA-N 0 3 214.309 0.655 20 0 BCADHN CC[C@@](C)(NCCn1cc(Cl)cn1)C(N)=O ZINC000312829976 384671187 /nfs/dbraw/zinc/67/11/87/384671187.db2.gz KWVXFVYKNZKUME-SNVBAGLBSA-N 0 3 244.726 0.780 20 0 BCADHN CC(=O)CCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000157904562 384634256 /nfs/dbraw/zinc/63/42/56/384634256.db2.gz QXVQYRCXJLLSFF-MWLCHTKSSA-N 0 3 226.320 0.955 20 0 BCADHN CC1(C)NC(=O)CC[C@@H]1NC[C@H](O)C(F)F ZINC000309814203 384634365 /nfs/dbraw/zinc/63/43/65/384634365.db2.gz UYMKKXRFJNLBNY-BQBZGAKWSA-N 0 3 236.262 0.259 20 0 BCADHN CC(C)CC[C@@H](O)CNC[C@H](O)C(F)F ZINC000647534965 384637108 /nfs/dbraw/zinc/63/71/08/384637108.db2.gz ZJVNYXIOTRXUDU-BDAKNGLRSA-N 0 3 225.279 0.999 20 0 BCADHN CC(C)CC[C@@H](O)CNC[C@@H](O)C(F)F ZINC000647534968 384637305 /nfs/dbraw/zinc/63/73/05/384637305.db2.gz ZJVNYXIOTRXUDU-RKDXNWHRSA-N 0 3 225.279 0.999 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCc1ccncc1 ZINC000081900513 384638862 /nfs/dbraw/zinc/63/88/62/384638862.db2.gz GLNIFBLMEXMNKG-SNVBAGLBSA-N 0 3 242.344 0.647 20 0 BCADHN Cc1nnsc1CNCCCCO ZINC000308345928 384642302 /nfs/dbraw/zinc/64/23/02/384642302.db2.gz VHTIGYPTIJJQBQ-UHFFFAOYSA-N 0 3 201.295 0.709 20 0 BCADHN CC(C)COC[C@@H](O)CN[C@@H](C)C(=O)N(C)C ZINC000042570513 384643672 /nfs/dbraw/zinc/64/36/72/384643672.db2.gz QCPCZWVNZPSSRV-QWRGUYRKSA-N 0 3 246.351 0.086 20 0 BCADHN CCN(CCNS(=O)(=O)CC)CC(C)C ZINC000171749921 384656935 /nfs/dbraw/zinc/65/69/35/384656935.db2.gz XLHRFXRHVZLCNI-UHFFFAOYSA-N 0 3 236.381 0.904 20 0 BCADHN COc1cc(C)nc(CN[C@@H](C)CO)c1 ZINC000125959110 384723199 /nfs/dbraw/zinc/72/31/99/384723199.db2.gz JBHYKUUJVVQLBG-VIFPVBQESA-N 0 3 210.277 0.869 20 0 BCADHN Cc1nn(C)cc1CN[C@@H]1CO[C@H](C)C1 ZINC000335426484 384723261 /nfs/dbraw/zinc/72/32/61/384723261.db2.gz WSKUPKNNHKKJKB-KCJUWKMLSA-N 0 3 209.293 0.996 20 0 BCADHN Cc1c(CN[C@@H]2CO[C@H](C)C2)cnn1C ZINC000335426540 384723305 /nfs/dbraw/zinc/72/33/05/384723305.db2.gz XRKAIHMLDSHWLZ-KCJUWKMLSA-N 0 3 209.293 0.996 20 0 BCADHN COC[C@@H](CO)NC/C=C\c1ccncc1 ZINC000309678410 384724415 /nfs/dbraw/zinc/72/44/15/384724415.db2.gz YSELGYUWINBMSM-ZZKXABKFSA-N 0 3 222.288 0.692 20 0 BCADHN C[C@H](Cn1cccn1)NCc1cncn1C ZINC000082394192 384677826 /nfs/dbraw/zinc/67/78/26/384677826.db2.gz RHDLAFHAYGRZNM-SNVBAGLBSA-N 0 3 219.292 0.795 20 0 BCADHN O=C1CC[C@H](NCc2cnn3ccccc23)CN1 ZINC000104346793 384678572 /nfs/dbraw/zinc/67/85/72/384678572.db2.gz VXBWSLONFMCSMD-NSHDSACASA-N 0 3 244.298 0.703 20 0 BCADHN Cn1cncc1CNCCN1CCCCC1 ZINC000082394133 384678829 /nfs/dbraw/zinc/67/88/29/384678829.db2.gz PSWCIFXTBBZLET-UHFFFAOYSA-N 0 3 222.336 0.996 20 0 BCADHN COC[C@H](C)N1CCC(N2CCNC2=O)CC1 ZINC000173550613 384692406 /nfs/dbraw/zinc/69/24/06/384692406.db2.gz ZYAKPSHOHPXCFH-JTQLQIEISA-N 0 3 241.335 0.511 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)[C@@H](N)C(C)C ZINC000236865325 384695194 /nfs/dbraw/zinc/69/51/94/384695194.db2.gz CUVHWXBVPGZJLP-UTLUCORTSA-N 0 3 216.325 0.493 20 0 BCADHN CO[C@H]1CCCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000363690864 384696140 /nfs/dbraw/zinc/69/61/40/384696140.db2.gz OGYKKBYEOSHIOX-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H](N)C(=O)N1CCN(C)c2ccccc21 ZINC000082605183 384697123 /nfs/dbraw/zinc/69/71/23/384697123.db2.gz YUBFKEFPSKOKMW-SECBINFHSA-N 0 3 219.288 0.817 20 0 BCADHN CN(CCc1ccccn1)C(=O)[C@@H]1C[C@@H]1N ZINC000050457861 384698327 /nfs/dbraw/zinc/69/83/27/384698327.db2.gz MMQBYXDJCSYBMX-MNOVXSKESA-N 0 3 219.288 0.430 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1CCCS(=O)(=O)C1 ZINC000309902607 384703254 /nfs/dbraw/zinc/70/32/54/384703254.db2.gz IOAQVSRVNOVWIX-SECBINFHSA-N 0 3 243.332 0.385 20 0 BCADHN C[C@@H]1[C@@H](C)N(CCN2CCOCC2)CCN1C ZINC000357001814 384703509 /nfs/dbraw/zinc/70/35/09/384703509.db2.gz MUUPVKUFIFNHMM-CHWSQXEVSA-N 0 3 241.379 0.343 20 0 BCADHN C[C@H]1C[C@H](NCc2ccc(C(N)=O)nc2)CO1 ZINC000647190553 384706034 /nfs/dbraw/zinc/70/60/34/384706034.db2.gz FEDYHMCCEGWXAU-WPRPVWTQSA-N 0 3 235.287 0.448 20 0 BCADHN Cn1nccc1CN[C@@H]1CCCC[C@H]1O ZINC000051997660 384708294 /nfs/dbraw/zinc/70/82/94/384708294.db2.gz FPPOOWINGYKGPL-GHMZBOCLSA-N 0 3 209.293 0.813 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@H](c2nccn2C)C1 ZINC000533866431 384711974 /nfs/dbraw/zinc/71/19/74/384711974.db2.gz FZGOVAJNCUHDAW-UWVGGRQHSA-N 0 3 236.319 0.473 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@@H](c2nccn2C)C1 ZINC000533866433 384712053 /nfs/dbraw/zinc/71/20/53/384712053.db2.gz FZGOVAJNCUHDAW-ZJUUUORDSA-N 0 3 236.319 0.473 20 0 BCADHN CCOCCN[C@@](C)(COC)CC(=O)OC ZINC000309903440 384712309 /nfs/dbraw/zinc/71/23/09/384712309.db2.gz IZMKPHWPQJAUFS-LLVKDONJSA-N 0 3 233.308 0.581 20 0 BCADHN CCN(C)CCNC(=O)c1nnc(C)s1 ZINC000185388490 384715633 /nfs/dbraw/zinc/71/56/33/384715633.db2.gz POPMBFLYAJDKSL-UHFFFAOYSA-N 0 3 228.321 0.528 20 0 BCADHN CN(CCNS(C)(=O)=O)CCC1CC1 ZINC000173747600 384717092 /nfs/dbraw/zinc/71/70/92/384717092.db2.gz YRTVMFAQOGXFHC-UHFFFAOYSA-N 0 3 220.338 0.268 20 0 BCADHN C[C@@]1(F)CNCCN(Cc2cocn2)C1 ZINC000647544715 384720694 /nfs/dbraw/zinc/72/06/94/384720694.db2.gz LONKEHMOPYHITD-SNVBAGLBSA-N 0 3 213.256 0.808 20 0 BCADHN Cc1cnn(C)c1CN[C@@H]1CO[C@H](C)C1 ZINC000335426365 384720809 /nfs/dbraw/zinc/72/08/09/384720809.db2.gz UUNLCLVVWFAYHR-ZJUUUORDSA-N 0 3 209.293 0.996 20 0 BCADHN CS(=O)(=O)[C@H]1CCC[C@@H](NC2(CO)CC2)C1 ZINC000126436956 384775595 /nfs/dbraw/zinc/77/55/95/384775595.db2.gz FSTDFFROMPHMAC-ZJUUUORDSA-N 0 3 247.360 0.457 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](N)C2CCC2)CCO1 ZINC000335034135 384775857 /nfs/dbraw/zinc/77/58/57/384775857.db2.gz IQJHSJOXKUMMAD-MNOVXSKESA-N 0 3 226.320 0.751 20 0 BCADHN Cc1ccc(CN2C[C@H](O)[C@@H](N(C)C)C2)nc1 ZINC000643884943 384728570 /nfs/dbraw/zinc/72/85/70/384728570.db2.gz AHHXUHNQSLFQAD-STQMWFEESA-N 0 3 235.331 0.497 20 0 BCADHN CO[C@H](C)CN1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000361506825 384730187 /nfs/dbraw/zinc/73/01/87/384730187.db2.gz BGLKCSNQMLMFMC-GRYCIOLGSA-N 0 3 229.320 0.901 20 0 BCADHN CO[C@H](C)CN1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000361506826 384730319 /nfs/dbraw/zinc/73/03/19/384730319.db2.gz BGLKCSNQMLMFMC-IJLUTSLNSA-N 0 3 229.320 0.901 20 0 BCADHN COCc1ccc(CN[C@@H]2COC[C@H]2O)cc1 ZINC000295491959 384733716 /nfs/dbraw/zinc/73/37/16/384733716.db2.gz GYZCPPNZQJIJEA-CHWSQXEVSA-N 0 3 237.299 0.682 20 0 BCADHN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)C2CC2)C1 ZINC000247028317 384734146 /nfs/dbraw/zinc/73/41/46/384734146.db2.gz POAOEHZVODZBCE-GXSJLCMTSA-N 0 3 246.376 0.797 20 0 BCADHN CCO[C@@H]1C[C@@H](NCCOC)[C@]12CCCO2 ZINC000309951508 384737402 /nfs/dbraw/zinc/73/74/02/384737402.db2.gz GHKOJRGXLAKGQL-IJLUTSLNSA-N 0 3 229.320 0.949 20 0 BCADHN c1cncc(CNC[C@@H]2COCCO2)c1 ZINC000037998088 384738746 /nfs/dbraw/zinc/73/87/46/384738746.db2.gz LWUVABGAKHAMMN-LLVKDONJSA-N 0 3 208.261 0.587 20 0 BCADHN O=C(c1ccncc1F)N1CCCNCC1 ZINC000083093945 384739867 /nfs/dbraw/zinc/73/98/67/384739867.db2.gz WAZRGSNZJCMDLC-UHFFFAOYSA-N 0 3 223.251 0.656 20 0 BCADHN COC(=O)c1coc(C(=O)NCCN(C)C)c1 ZINC000125750610 384747686 /nfs/dbraw/zinc/74/76/86/384747686.db2.gz IAOKHOCKHIVJMR-UHFFFAOYSA-N 0 3 240.259 0.358 20 0 BCADHN COC[C@H](O)CN(C)C[C@@H]1CCCO1 ZINC000126224495 384747983 /nfs/dbraw/zinc/74/79/83/384747983.db2.gz VZBRYDXTDSRACL-ZJUUUORDSA-N 0 3 203.282 0.105 20 0 BCADHN Cc1ccoc1CNC[C@]1(O)CCN(C)C1 ZINC000309969667 384749160 /nfs/dbraw/zinc/74/91/60/384749160.db2.gz OULXJOSEBBSBSK-GFCCVEGCSA-N 0 3 224.304 0.744 20 0 BCADHN C[C@H](N[C@H]1CSC[C@H]1C)C(=O)N(C)C ZINC000308525816 384780063 /nfs/dbraw/zinc/78/00/63/384780063.db2.gz IVBMJESDALFBML-VGMNWLOBSA-N 0 3 216.350 0.804 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@H](O)CC1 ZINC000334962734 384759548 /nfs/dbraw/zinc/75/95/48/384759548.db2.gz VEDXYEMUKLUTGT-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN Cc1nc(C)c(C(=O)NC[C@H]2CCN(C)C2)o1 ZINC000174179290 384762198 /nfs/dbraw/zinc/76/21/98/384762198.db2.gz PVNRWPCKTKHNTM-SNVBAGLBSA-N 0 3 237.303 0.973 20 0 BCADHN CC[C@@H](N)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000648157517 384765082 /nfs/dbraw/zinc/76/50/82/384765082.db2.gz ILVNJUPMEDWYQO-NXEZZACHSA-N 0 3 212.293 0.361 20 0 BCADHN CCC1(NCc2cn(C)nn2)CCOCC1 ZINC000310005198 384780377 /nfs/dbraw/zinc/78/03/77/384780377.db2.gz GIQYVDAOFNLONN-UHFFFAOYSA-N 0 3 224.308 0.864 20 0 BCADHN C[C@H](O)CCCN1CCC[C@H]2C(=O)NC[C@@H]21 ZINC000309722309 384770543 /nfs/dbraw/zinc/77/05/43/384770543.db2.gz CECGIDLXJVYKQM-AXFHLTTASA-N 0 3 226.320 0.358 20 0 BCADHN CCN(C[C@@H]1CCCO1)C(=O)[C@H](C)N ZINC000042470687 384816325 /nfs/dbraw/zinc/81/63/25/384816325.db2.gz WRECQCAWDDLHIL-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN Cn1cc(NC(=O)[C@@H](N)C2CCC2)cn1 ZINC000335654013 384818426 /nfs/dbraw/zinc/81/84/26/384818426.db2.gz PAAOEDUNSUCWPR-VIFPVBQESA-N 0 3 208.265 0.486 20 0 BCADHN CSC[C@@H]1CCCN([C@@H](C)C(N)=O)C1 ZINC000308581262 384818800 /nfs/dbraw/zinc/81/88/00/384818800.db2.gz PGGFGCQHYLSANP-DTWKUNHWSA-N 0 3 216.350 0.935 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@@H](O)CC(C)(C)C1 ZINC000336235007 384838219 /nfs/dbraw/zinc/83/82/19/384838219.db2.gz WIWBFRLBTCRIJL-GHMZBOCLSA-N 0 3 242.363 0.946 20 0 BCADHN CN(C(=O)C1CC(C)(O)C1)C1CCN(C)CC1 ZINC000336232606 384823537 /nfs/dbraw/zinc/82/35/37/384823537.db2.gz VPJCWDUMELRIBH-UHFFFAOYSA-N 0 3 240.347 0.700 20 0 BCADHN COCc1cccc(CNC(CO)CO)c1 ZINC000083968341 384824449 /nfs/dbraw/zinc/82/44/49/384824449.db2.gz RCRRRTSOLRDGJT-UHFFFAOYSA-N 0 3 225.288 0.276 20 0 BCADHN C[C@@H](NCc1ccc(CO)o1)[C@H](C)CO ZINC000126937937 384825312 /nfs/dbraw/zinc/82/53/12/384825312.db2.gz MIOOFBCKSYXCGO-RKDXNWHRSA-N 0 3 213.277 0.878 20 0 BCADHN C[C@@H](CC[NH+](C)C)NC(=O)c1cncc([O-])c1 ZINC000104422322 384827063 /nfs/dbraw/zinc/82/70/63/384827063.db2.gz NXVCYDGVCNSHTP-VIFPVBQESA-N 0 3 237.303 0.857 20 0 BCADHN CO[C@H](C)CN[C@@H](CO)[C@H]1CCCO1 ZINC000308584277 384828459 /nfs/dbraw/zinc/82/84/59/384828459.db2.gz HSOHSRLOAPLNLL-KXUCPTDWSA-N 0 3 203.282 0.151 20 0 BCADHN C[C@@H]1OCCN(C[C@H](O)CN(C)C2CC2)[C@H]1C ZINC000310088777 384829666 /nfs/dbraw/zinc/82/96/66/384829666.db2.gz IFYOXNPFRYIQDA-GMXVVIOVSA-N 0 3 242.363 0.551 20 0 BCADHN Cn1cncc1CN[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000087689818 384831911 /nfs/dbraw/zinc/83/19/11/384831911.db2.gz XPJLPYKWPAIVKK-VWYCJHECSA-N 0 3 207.277 0.830 20 0 BCADHN C[C@H](NCc1nccn1C)[C@H]1CCOC1 ZINC000127039902 384833465 /nfs/dbraw/zinc/83/34/65/384833465.db2.gz GZILXRUYYWVIJI-UWVGGRQHSA-N 0 3 209.293 0.935 20 0 BCADHN C[C@@H]1NCCN(C(=O)[C@H](N)CC(F)F)[C@H]1C ZINC000518188258 384784510 /nfs/dbraw/zinc/78/45/10/384784510.db2.gz LQOQSUQYCHQVDQ-BIIVOSGPSA-N 0 3 235.278 0.178 20 0 BCADHN CCN(C)CCNC(=O)NCc1noc(C)n1 ZINC000174382491 384785231 /nfs/dbraw/zinc/78/52/31/384785231.db2.gz IQNSWPSYRUDZQW-UHFFFAOYSA-N 0 3 241.295 0.129 20 0 BCADHN CCCCCN1CC[C@@H](S(=O)(=O)NC)C1 ZINC000155917152 384789413 /nfs/dbraw/zinc/78/94/13/384789413.db2.gz UZFUFLKTQZXMSJ-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCCF)C1 ZINC000308537989 384789691 /nfs/dbraw/zinc/78/96/91/384789691.db2.gz LWQXCAWZNDHHSS-RKDXNWHRSA-N 0 3 223.313 0.901 20 0 BCADHN CN1CCN(C)[C@H](CNCc2ccns2)C1 ZINC000404433122 384790026 /nfs/dbraw/zinc/79/00/26/384790026.db2.gz JKYUJCGIFZIYIN-SNVBAGLBSA-N 0 3 240.376 0.479 20 0 BCADHN CS(=O)(=O)[C@@H]1CCC[C@H](NCCF)C1 ZINC000308537985 384790273 /nfs/dbraw/zinc/79/02/73/384790273.db2.gz LWQXCAWZNDHHSS-DTWKUNHWSA-N 0 3 223.313 0.901 20 0 BCADHN COC[C@@H](CC(C)C)N[C@H]1CCCNC1=O ZINC000336753179 384790846 /nfs/dbraw/zinc/79/08/46/384790846.db2.gz DZQCEQCPWYNNOK-MNOVXSKESA-N 0 3 228.336 0.916 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@](C)(O)C(C)C ZINC000174433607 384791274 /nfs/dbraw/zinc/79/12/74/384791274.db2.gz JSAOZQFZIUOZPE-GFCCVEGCSA-N 0 3 230.352 0.850 20 0 BCADHN CC(C)N1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000335060334 384791393 /nfs/dbraw/zinc/79/13/93/384791393.db2.gz GDYZGQFFKMJZJX-GFCCVEGCSA-N 0 3 239.363 0.666 20 0 BCADHN Cc1ccc(CNC(CO)CO)cc1C ZINC000083692626 384793245 /nfs/dbraw/zinc/79/32/45/384793245.db2.gz MIXVXGKDJBALKT-UHFFFAOYSA-N 0 3 209.289 0.746 20 0 BCADHN CCOc1cccc(CNC(CO)CO)c1 ZINC000083690348 384793265 /nfs/dbraw/zinc/79/32/65/384793265.db2.gz CRFLEOKRXYIWQW-UHFFFAOYSA-N 0 3 225.288 0.528 20 0 BCADHN COC[C@H](N[C@@H]1CCCNC1=O)C(C)C ZINC000087480045 384796310 /nfs/dbraw/zinc/79/63/10/384796310.db2.gz APKRDZHYBGVWNE-ZJUUUORDSA-N 0 3 214.309 0.526 20 0 BCADHN COc1ccc(OCCNC(=O)[C@@H](C)N)cc1 ZINC000151805878 384798071 /nfs/dbraw/zinc/79/80/71/384798071.db2.gz OWZGZOSGLVGDMV-SECBINFHSA-N 0 3 238.287 0.537 20 0 BCADHN CC[C@@H](CN[C@@H](C)c1ccc(=O)[nH]n1)OC ZINC000310034101 384799889 /nfs/dbraw/zinc/79/98/89/384799889.db2.gz SGQXXBGUVKUVSS-IUCAKERBSA-N 0 3 225.292 0.846 20 0 BCADHN CC[C@H](C[C@H](C)CO)NCc1cnnn1C ZINC000310037590 384802129 /nfs/dbraw/zinc/80/21/29/384802129.db2.gz VGZRZHTZRLVPNS-VHSXEESVSA-N 0 3 226.324 0.702 20 0 BCADHN Cc1nnsc1CNC[C@H](O)C(C)C ZINC000308561350 384806928 /nfs/dbraw/zinc/80/69/28/384806928.db2.gz FLHIQQBMIRBSIX-QMMMGPOBSA-N 0 3 215.322 0.953 20 0 BCADHN C[C@H](N)C(=O)NCCc1cn2ccccc2n1 ZINC000083883835 384807522 /nfs/dbraw/zinc/80/75/22/384807522.db2.gz FHMBTBDKOGGOOX-VIFPVBQESA-N 0 3 232.287 0.340 20 0 BCADHN C[C@@H](C(N)=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000220593099 384808342 /nfs/dbraw/zinc/80/83/42/384808342.db2.gz SEJUJIGHLZGLJW-WDEREUQCSA-N 0 3 225.336 0.420 20 0 BCADHN COc1ncncc1CNCCC[C@@H](C)CO ZINC000647196708 384811555 /nfs/dbraw/zinc/81/15/55/384811555.db2.gz JUSXSMQRPLTGOW-SNVBAGLBSA-N 0 3 239.319 0.983 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)N3CCOCC3)[C@@H]2C1 ZINC000644299383 384812073 /nfs/dbraw/zinc/81/20/73/384812073.db2.gz KSASSOPFWMFGIA-WDEREUQCSA-N 0 3 239.319 0.075 20 0 BCADHN CCN(CCN)[C@@H](C)CS(=O)(=O)CC ZINC000308570816 384814064 /nfs/dbraw/zinc/81/40/64/384814064.db2.gz KENFMXXBXVHSCM-VIFPVBQESA-N 0 3 222.354 0.090 20 0 BCADHN C[C@@H](NC(=O)CN)c1nc2ccccc2n1C ZINC000083908962 384814639 /nfs/dbraw/zinc/81/46/39/384814639.db2.gz RVJAWVDPLLWUBZ-MRVPVSSYSA-N 0 3 232.287 0.709 20 0 BCADHN CN(CCN(C)C1CC1)Cc1nccc(N)n1 ZINC000186757844 384877063 /nfs/dbraw/zinc/87/70/63/384877063.db2.gz AOQSSWCMNUWICI-UHFFFAOYSA-N 0 3 235.335 0.585 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1ccnnc1 ZINC000186771511 384878534 /nfs/dbraw/zinc/87/85/34/384878534.db2.gz BEACJXGCKMAIBY-UHFFFAOYSA-N 0 3 234.303 0.643 20 0 BCADHN C[C@@H](CO)CN1CCC(F)(F)[C@H](CO)C1 ZINC000403903792 384879272 /nfs/dbraw/zinc/87/92/72/384879272.db2.gz LWVVEJOKMDNKES-BDAKNGLRSA-N 0 3 223.263 0.564 20 0 BCADHN CC[C@H](N)C(=O)N(C)Cc1cscn1 ZINC000042868828 384879538 /nfs/dbraw/zinc/87/95/38/384879538.db2.gz MHRULPPXAIGEFE-QMMMGPOBSA-N 0 3 213.306 0.839 20 0 BCADHN CC(C)CCOCCNC(=O)[C@@]1(F)CCNC1 ZINC000370797875 384880447 /nfs/dbraw/zinc/88/04/47/384880447.db2.gz CGLIDTMNUGRUAV-GFCCVEGCSA-N 0 3 246.326 0.867 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000449289376 384880786 /nfs/dbraw/zinc/88/07/86/384880786.db2.gz AEAMVIKNITZXBR-AEJSXWLSSA-N 0 3 226.320 0.763 20 0 BCADHN CO[C@H](C)CN1CCC[C@@H](N2CCNC2=O)C1 ZINC000374678311 384880797 /nfs/dbraw/zinc/88/07/97/384880797.db2.gz LJLFTDYNPDARBH-GHMZBOCLSA-N 0 3 241.335 0.511 20 0 BCADHN COCC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177155482 384889927 /nfs/dbraw/zinc/88/99/27/384889927.db2.gz CIXDUJLOBKBZDJ-DTWKUNHWSA-N 0 3 212.293 0.374 20 0 BCADHN CCO[C@H]1C[C@H](N(C)C(=O)CNC)C1(C)C ZINC000236958227 384884032 /nfs/dbraw/zinc/88/40/32/384884032.db2.gz TWXHHQFDSRVNDY-UWVGGRQHSA-N 0 3 228.336 0.868 20 0 BCADHN COC[C@H](O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000126900358 384842137 /nfs/dbraw/zinc/84/21/37/384842137.db2.gz NXOJOFWONPGIFA-CMPLNLGQSA-N 0 3 239.319 0.217 20 0 BCADHN COC(=O)c1coc(CNC[C@@H](C)CO)c1 ZINC000126915458 384842349 /nfs/dbraw/zinc/84/23/49/384842349.db2.gz WARIOKSHXVRTLI-MRVPVSSYSA-N 0 3 227.260 0.784 20 0 BCADHN COC[C@@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449661641 384847347 /nfs/dbraw/zinc/84/73/47/384847347.db2.gz JBYUWCWKKHJOEK-HTQZYQBOSA-N 0 3 236.262 0.382 20 0 BCADHN COC[C@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000449661644 384848137 /nfs/dbraw/zinc/84/81/37/384848137.db2.gz JBYUWCWKKHJOEK-YUMQZZPRSA-N 0 3 236.262 0.382 20 0 BCADHN CC[C@H]1CN(C[C@@H](O)COC)CCS1 ZINC000127224886 384850309 /nfs/dbraw/zinc/85/03/09/384850309.db2.gz BIDFRCFBQAKTOJ-ZJUUUORDSA-N 0 3 219.350 0.821 20 0 BCADHN O=C(CC1(O)CCC1)N1CCN2CCC[C@H]2C1 ZINC000336242481 384850687 /nfs/dbraw/zinc/85/06/87/384850687.db2.gz JBVZVMACXBBCSU-NSHDSACASA-N 0 3 238.331 0.598 20 0 BCADHN CCN(CC(=O)NC(=O)NC)[C@@H](C)C(C)C ZINC000101727417 384854734 /nfs/dbraw/zinc/85/47/34/384854734.db2.gz HNADUTQGXMJJTA-VIFPVBQESA-N 0 3 229.324 0.808 20 0 BCADHN COC(=O)CCN1CCC[C@@H](C(=O)OC)C1 ZINC000112345278 384855822 /nfs/dbraw/zinc/85/58/22/384855822.db2.gz WKVGJBVCYPDOMO-SECBINFHSA-N 0 3 229.276 0.435 20 0 BCADHN CCCC(=O)NCC(=O)N1CCCN(C)CC1 ZINC000077304252 384858273 /nfs/dbraw/zinc/85/82/73/384858273.db2.gz XZLBDSHHLWVLNB-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN CC1(C)CN(C(=O)[C@@H](N)C2CCC2)CCO1 ZINC000335217486 384862768 /nfs/dbraw/zinc/86/27/68/384862768.db2.gz OMASUDYHVXKCNW-JTQLQIEISA-N 0 3 226.320 0.751 20 0 BCADHN C[C@H](C(=O)NC[C@H](C)O)N1CCCCCC1 ZINC000127401351 384862665 /nfs/dbraw/zinc/86/26/65/384862665.db2.gz CZMCMBCOKPNWAX-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2ccc[n+]([O-])c2)C1 ZINC000105326350 384864060 /nfs/dbraw/zinc/86/40/60/384864060.db2.gz HWTSNHSICVSSAW-LBPRGKRZSA-N 0 3 249.314 0.486 20 0 BCADHN CO[C@]1(C)C[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643729333 384867120 /nfs/dbraw/zinc/86/71/20/384867120.db2.gz WVSLGNJJUCTSCG-BSTOTGJRSA-N 0 3 240.347 0.996 20 0 BCADHN CO[C@@]1(C)C[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643729334 384867155 /nfs/dbraw/zinc/86/71/55/384867155.db2.gz WVSLGNJJUCTSCG-COMAGPEQSA-N 0 3 240.347 0.996 20 0 BCADHN CC(C)N(C[C@@H](C)O)C[C@H]1CN(C)C(=O)O1 ZINC000497207239 384867366 /nfs/dbraw/zinc/86/73/66/384867366.db2.gz GQPKBNWWBWPEFK-NXEZZACHSA-N 0 3 230.308 0.528 20 0 BCADHN COC[C@H](O)CCNCc1cncs1 ZINC000127471350 384868581 /nfs/dbraw/zinc/86/85/81/384868581.db2.gz ONEUUJAQKFNZSV-MRVPVSSYSA-N 0 3 216.306 0.630 20 0 BCADHN CN(CCCS(N)(=O)=O)C1CCC1 ZINC000128458255 384950436 /nfs/dbraw/zinc/95/04/36/384950436.db2.gz WXGJEHRFFYWEDH-UHFFFAOYSA-N 0 3 206.311 0.149 20 0 BCADHN Cc1ccc(O)c(CN[C@H](C)C[S@@](C)=O)n1 ZINC000164259145 384950548 /nfs/dbraw/zinc/95/05/48/384950548.db2.gz DMXKZBXDKXRJOS-ABKXIKBNSA-N 0 3 242.344 0.952 20 0 BCADHN Cc1ccc([O-])c(C[NH2+][C@H](C)C[S@@](C)=O)n1 ZINC000164259145 384950551 /nfs/dbraw/zinc/95/05/51/384950551.db2.gz DMXKZBXDKXRJOS-ABKXIKBNSA-N 0 3 242.344 0.952 20 0 BCADHN C[C@H]1CS(=O)(=O)C[C@H]1N[C@H]1CCSC1 ZINC000307153346 384950862 /nfs/dbraw/zinc/95/08/62/384950862.db2.gz ANIRHEJBPGSFIA-XHNCKOQMSA-N 0 3 235.374 0.515 20 0 BCADHN C[C@@H](CN[C@H]1CCCN(C)C1)S(C)(=O)=O ZINC000644547763 384951324 /nfs/dbraw/zinc/95/13/24/384951324.db2.gz PFNDBQDOZZOCSS-UWVGGRQHSA-N 0 3 234.365 0.103 20 0 BCADHN COc1ccc(CNC[C@@H]2CNCCN2C)cc1 ZINC000258934983 384952694 /nfs/dbraw/zinc/95/26/94/384952694.db2.gz OYLIDUQNKHNUFZ-ZDUSSCGKSA-N 0 3 249.358 0.688 20 0 BCADHN COc1ccc(CNC[C@H]2CNCCN2C)cc1 ZINC000258934979 384953248 /nfs/dbraw/zinc/95/32/48/384953248.db2.gz OYLIDUQNKHNUFZ-CYBMUJFWSA-N 0 3 249.358 0.688 20 0 BCADHN COc1ccc(CCNC(=O)[C@H](C)N)cc1F ZINC000057533358 384953763 /nfs/dbraw/zinc/95/37/63/384953763.db2.gz LOYXFLNVSWQNJO-QMMMGPOBSA-N 0 3 240.278 0.840 20 0 BCADHN CN1CCC[C@@H](N2CCC[C@@H](O)CC2)C1=O ZINC000559479330 384954418 /nfs/dbraw/zinc/95/44/18/384954418.db2.gz DURNTCJSHXPASY-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN Fc1cccc(CNC[C@@H]2CNCCO2)c1 ZINC000259018722 384955173 /nfs/dbraw/zinc/95/51/73/384955173.db2.gz YEHXXMRZDGSLFS-LBPRGKRZSA-N 0 3 224.279 0.904 20 0 BCADHN CN1CCC[C@H](N2CCC[C@H](O)CC2)C1=O ZINC000559479332 384955645 /nfs/dbraw/zinc/95/56/45/384955645.db2.gz DURNTCJSHXPASY-QWRGUYRKSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@H](O)CCCN1CCC2(COC(=O)N2)CC1 ZINC000497306076 384956802 /nfs/dbraw/zinc/95/68/02/384956802.db2.gz QCCDQAKRSLELLW-JTQLQIEISA-N 0 3 242.319 0.722 20 0 BCADHN CCOCCNC(=O)CN(C)[C@H](C)CC ZINC000084693191 384892598 /nfs/dbraw/zinc/89/25/98/384892598.db2.gz SPRFXJXGBGMJDD-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)C(C)(C)N)C1 ZINC000234843029 384894759 /nfs/dbraw/zinc/89/47/59/384894759.db2.gz LLEACBOCSCOLKX-HTQZYQBOSA-N 0 3 200.282 0.407 20 0 BCADHN COC(CN1CCOC[C@H](C)C1)OC ZINC000364601207 384894563 /nfs/dbraw/zinc/89/45/63/384894563.db2.gz DAPKBUQJTOVSNN-SECBINFHSA-N 0 3 203.282 0.574 20 0 BCADHN COC[C@H](O)CCNCc1cccc(O)c1 ZINC000127488834 384903157 /nfs/dbraw/zinc/90/31/57/384903157.db2.gz HGIKGSNMMKLSBT-GFCCVEGCSA-N 0 3 225.288 0.879 20 0 BCADHN O=C1CC[C@H]2CN(C[C@H]3CCOC3)CCN12 ZINC000336265549 384903268 /nfs/dbraw/zinc/90/32/68/384903268.db2.gz KCYAMSIEGFMUPO-MNOVXSKESA-N 0 3 224.304 0.330 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000156762022 384959082 /nfs/dbraw/zinc/95/90/82/384959082.db2.gz WPKOCPPOASFCJS-BBBLOLIVSA-N 0 3 241.335 0.239 20 0 BCADHN CCO[C@H]1C[C@@H](NC(=O)C2(N)CC2)C12CCC2 ZINC000236969152 384920768 /nfs/dbraw/zinc/92/07/68/384920768.db2.gz MAYNMEVBGHPTTM-ZJUUUORDSA-N 0 3 238.331 0.942 20 0 BCADHN C[C@@H](N[C@@H](C)Cn1cncn1)c1cnn(C)c1 ZINC000164169618 384933791 /nfs/dbraw/zinc/93/37/91/384933791.db2.gz PCDMANXJSULKGI-VHSXEESVSA-N 0 3 234.307 0.751 20 0 BCADHN CC[C@H](O)CN[C@@H](C(N)=O)C(C)(C)C ZINC000128205194 384933962 /nfs/dbraw/zinc/93/39/62/384933962.db2.gz UKGVHMQMJZRPQZ-YUMQZZPRSA-N 0 3 202.298 0.247 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)[C@@H]1CCCCNC1=O ZINC000156705594 384935346 /nfs/dbraw/zinc/93/53/46/384935346.db2.gz IKARIYFDEYBKHW-NXEZZACHSA-N 0 3 241.335 0.241 20 0 BCADHN NCc1cccc(NC(=O)C(=O)NC2CC2)c1 ZINC000647607321 384936555 /nfs/dbraw/zinc/93/65/55/384936555.db2.gz IJWMILPWJCYVQL-UHFFFAOYSA-N 0 3 233.271 0.362 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)[C@@H](N)C2CCC2)C1 ZINC000331899677 384938574 /nfs/dbraw/zinc/93/85/74/384938574.db2.gz BMOBTEQPZCITSR-AXFHLTTASA-N 0 3 226.320 0.798 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCN1CCCCC1 ZINC000081900915 384941736 /nfs/dbraw/zinc/94/17/36/384941736.db2.gz CKWOSMJNFOGFOU-LLVKDONJSA-N 0 3 248.392 0.495 20 0 BCADHN C[C@@H](C(=O)NCCN(C)C)N1CC(C)C1 ZINC000557444010 384941746 /nfs/dbraw/zinc/94/17/46/384941746.db2.gz JURTXUNCJBXMAC-JTQLQIEISA-N 0 3 213.325 0.004 20 0 BCADHN CN(C[C@@H](O)CNCc1cscn1)C1CC1 ZINC000644532665 384941983 /nfs/dbraw/zinc/94/19/83/384941983.db2.gz HUYPOUDALKNXEH-NSHDSACASA-N 0 3 241.360 0.688 20 0 BCADHN C[C@@H](O)CN[C@H]1CCN(Cc2ccccc2)C1=O ZINC000644531071 384943044 /nfs/dbraw/zinc/94/30/44/384943044.db2.gz YUYCNRLSXDXWNN-YPMHNXCESA-N 0 3 248.326 0.758 20 0 BCADHN COc1ccc(CNC[C@@H]2CNCCO2)cc1 ZINC000258797006 384943991 /nfs/dbraw/zinc/94/39/91/384943991.db2.gz AEXXJPJGERYEKZ-ZDUSSCGKSA-N 0 3 236.315 0.773 20 0 BCADHN C[C@H](Cn1ccnc1)N[C@H](C)CS(C)(=O)=O ZINC000081900425 384944572 /nfs/dbraw/zinc/94/45/72/384944572.db2.gz QOHDJQZERTWBHR-NXEZZACHSA-N 0 3 245.348 0.294 20 0 BCADHN CC[C@@H](O)CN[C@H]1CC(=O)N(C(C)C)C1 ZINC000644536102 384945674 /nfs/dbraw/zinc/94/56/74/384945674.db2.gz XMZPJDGJKYFAIF-VHSXEESVSA-N 0 3 214.309 0.356 20 0 BCADHN Cc1cc(CNC[C@@H](O)CCOC(C)C)n[nH]1 ZINC000644565072 384971496 /nfs/dbraw/zinc/97/14/96/384971496.db2.gz CPCBOKLTFIYGMY-LBPRGKRZSA-N 0 3 241.335 0.984 20 0 BCADHN Cc1cc(CNC[C@@H](O)CCOC(C)C)[nH]n1 ZINC000644565072 384971500 /nfs/dbraw/zinc/97/15/00/384971500.db2.gz CPCBOKLTFIYGMY-LBPRGKRZSA-N 0 3 241.335 0.984 20 0 BCADHN CCCNS(=O)(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000408357568 385021717 /nfs/dbraw/zinc/02/17/17/385021717.db2.gz LIHULXIDTIAPBC-SNVBAGLBSA-N 0 3 249.380 0.114 20 0 BCADHN CN1CC[C@](N)(C(=O)N2C[C@H]3CCC[C@@H]3C2)C1 ZINC000643700287 384980664 /nfs/dbraw/zinc/98/06/64/384980664.db2.gz VYLKQSRIKTVZPU-NQBHXWOUSA-N 0 3 237.347 0.278 20 0 BCADHN CN1CC[C@@](N)(C(=O)N2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000643700286 384980858 /nfs/dbraw/zinc/98/08/58/384980858.db2.gz VYLKQSRIKTVZPU-LOWVWBTDSA-N 0 3 237.347 0.278 20 0 BCADHN C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)[C@H](C)O ZINC000644583436 384981383 /nfs/dbraw/zinc/98/13/83/384981383.db2.gz CCPMUFNNKSINJV-HRDYMLBCSA-N 0 3 212.293 0.109 20 0 BCADHN COC[C@@](C)(O)CNCc1cc(C)ns1 ZINC000404419353 384982511 /nfs/dbraw/zinc/98/25/11/384982511.db2.gz QUDWKQFTILZJLC-JTQLQIEISA-N 0 3 230.333 0.939 20 0 BCADHN C[C@@H]1[C@H](N[C@@H]2CCSC2)CCS1(=O)=O ZINC000306467601 384985299 /nfs/dbraw/zinc/98/52/99/384985299.db2.gz MLJZYVURGFDGSV-IWSPIJDZSA-N 0 3 235.374 0.657 20 0 BCADHN CC[C@@H](O)CC(=O)NCCN1CC[C@@H](C)C1 ZINC000556188638 384985961 /nfs/dbraw/zinc/98/59/61/384985961.db2.gz KSHBXHJFARAKFW-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN CO[C@]1(CNCc2ccccn2)CCOC1 ZINC000156863883 384986776 /nfs/dbraw/zinc/98/67/76/384986776.db2.gz GTJLYUDXPGARFD-LBPRGKRZSA-N 0 3 222.288 0.977 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H]1CO[C@H](C)C1 ZINC000647242006 384986938 /nfs/dbraw/zinc/98/69/38/384986938.db2.gz DLFZJURVKVOHLI-ZYUZMQFOSA-N 0 3 201.266 0.167 20 0 BCADHN CC[C@H](O)CC(=O)NCCN1CC[C@@H](C)C1 ZINC000556188639 384988336 /nfs/dbraw/zinc/98/83/36/384988336.db2.gz KSHBXHJFARAKFW-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN CO[C@]1(CNCc2ccn(C)c2)CCOC1 ZINC000156859377 384992877 /nfs/dbraw/zinc/99/28/77/384992877.db2.gz VQXCNSYGKGFFCD-LBPRGKRZSA-N 0 3 224.304 0.920 20 0 BCADHN c1cc(CNCCCn2cncn2)sn1 ZINC000404421928 384992926 /nfs/dbraw/zinc/99/29/26/384992926.db2.gz SUWFDVZNVYUJQK-UHFFFAOYSA-N 0 3 223.305 0.915 20 0 BCADHN CN(CC(=O)N(C)C1CC1)C1CCOCC1 ZINC000530627337 384994915 /nfs/dbraw/zinc/99/49/15/384994915.db2.gz SVYXPXWRXPVPIK-UHFFFAOYSA-N 0 3 226.320 0.718 20 0 BCADHN CO[C@@]1(CNCc2cccnc2)CCOC1 ZINC000156870532 384996126 /nfs/dbraw/zinc/99/61/26/384996126.db2.gz QUIGTVYIGIRMLU-GFCCVEGCSA-N 0 3 222.288 0.977 20 0 BCADHN O=C1C[C@@H](CNCc2ccns2)CN1 ZINC000404455682 384999714 /nfs/dbraw/zinc/99/97/14/384999714.db2.gz VOIVPROUTXPJCX-ZETCQYMHSA-N 0 3 211.290 0.369 20 0 BCADHN COC[C@H](O)CCNCc1ccns1 ZINC000404454601 384999787 /nfs/dbraw/zinc/99/97/87/384999787.db2.gz IQOOYPQPVOMYTI-MRVPVSSYSA-N 0 3 216.306 0.630 20 0 BCADHN Cn1cc(CCNC(=O)[C@H]2CCCCN2)cn1 ZINC000128130509 385000231 /nfs/dbraw/zinc/00/02/31/385000231.db2.gz GSQOYWKIHZOIQW-LLVKDONJSA-N 0 3 236.319 0.221 20 0 BCADHN CN(C)CC(=O)N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000647628409 385001046 /nfs/dbraw/zinc/00/10/46/385001046.db2.gz KXAPSXUFOXNLQR-MNOVXSKESA-N 0 3 243.326 0.193 20 0 BCADHN CO[C@@H](C)C(=O)NCCNc1ccncc1 ZINC000309987130 385001066 /nfs/dbraw/zinc/00/10/66/385001066.db2.gz YUZIEQIEPNPMBV-VIFPVBQESA-N 0 3 223.276 0.645 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCSC1 ZINC000129562092 385003749 /nfs/dbraw/zinc/00/37/49/385003749.db2.gz XYBXIPBNVNDZNN-BDAKNGLRSA-N 0 3 237.390 0.905 20 0 BCADHN COC[C@](C)(CCO)NCC(=O)NCC(C)C ZINC000177406045 385004736 /nfs/dbraw/zinc/00/47/36/385004736.db2.gz NVCOXUAXTWNRTQ-LBPRGKRZSA-N 0 3 246.351 0.136 20 0 BCADHN COCCNCCNC(=O)CCOC(C)C ZINC000152203152 385005857 /nfs/dbraw/zinc/00/58/57/385005857.db2.gz CXBQBBVUQUUJOI-UHFFFAOYSA-N 0 3 232.324 0.154 20 0 BCADHN CC[C@@H](CO)NCc1ccc(C(=O)OC)[nH]1 ZINC000086329603 385010010 /nfs/dbraw/zinc/01/00/10/385010010.db2.gz FPXQAJIVQKFXTO-QMMMGPOBSA-N 0 3 226.276 0.662 20 0 BCADHN Cc1cc(CN[C@H](C)CC(N)=O)sn1 ZINC000404473839 385010465 /nfs/dbraw/zinc/01/04/65/385010465.db2.gz UKAIGHYTOWISLJ-ZCFIWIBFSA-N 0 3 213.306 0.805 20 0 BCADHN Cc1cc(C)cc(CN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000086331374 385011087 /nfs/dbraw/zinc/01/10/87/385011087.db2.gz DWIGVUWDJVUKPY-BETUJISGSA-N 0 3 221.300 0.841 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1cncs1 ZINC000129621192 385011838 /nfs/dbraw/zinc/01/18/38/385011838.db2.gz IBPCIYAAMXNBON-SFYZADRCSA-N 0 3 216.306 0.801 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000491908687 385014666 /nfs/dbraw/zinc/01/46/66/385014666.db2.gz VTGILNZOQDPERG-SQMDOARZSA-N 0 3 240.347 0.772 20 0 BCADHN Cc1n[nH]cc1CN[C@H](C)CC[S@@](C)=O ZINC000130149236 385023414 /nfs/dbraw/zinc/02/34/14/385023414.db2.gz INFWNXJSYHMBNY-GLEZIHRCSA-N 0 3 229.349 0.965 20 0 BCADHN C[C@H](CN(C)C)NCc1csnn1 ZINC000130069427 385020706 /nfs/dbraw/zinc/02/07/06/385020706.db2.gz VEYDECBZCUGAFS-SSDOTTSWSA-N 0 3 200.311 0.578 20 0 BCADHN C[C@@H](NCC(=O)NC1CCCC1)[C@H](C)CO ZINC000164890808 385048645 /nfs/dbraw/zinc/04/86/45/385048645.db2.gz KMQUIGPIGWRHBK-NXEZZACHSA-N 0 3 228.336 0.652 20 0 BCADHN CCN1CC[C@H](NC[C@@H](O)CCC(C)C)C1=O ZINC000644642930 385049747 /nfs/dbraw/zinc/04/97/47/385049747.db2.gz SSVVXFYMYMRGLR-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CN(CCCCO)[C@H]1CCCCNC1=O ZINC000105610873 385052036 /nfs/dbraw/zinc/05/20/36/385052036.db2.gz GSNLTBYICRICFO-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN [NH3+][C@@H]1CC[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000128603604 385052786 /nfs/dbraw/zinc/05/27/86/385052786.db2.gz NKLDKRFGQOTOEB-JGVFFNPUSA-N 0 3 221.260 0.853 20 0 BCADHN [NH3+][C@H]1CC[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000128603151 385053035 /nfs/dbraw/zinc/05/30/35/385053035.db2.gz NKLDKRFGQOTOEB-YUMQZZPRSA-N 0 3 221.260 0.853 20 0 BCADHN CC(C)N1CCC[C@@H](N2CC[C@H](O)C2)C1=O ZINC000335702212 385054175 /nfs/dbraw/zinc/05/41/75/385054175.db2.gz ZKIOQVYDANUFNF-WDEREUQCSA-N 0 3 226.320 0.452 20 0 BCADHN COC[C@H](N[C@@H]1CO[C@@H](C)C1)[C@@H]1CCCO1 ZINC000647207534 385054065 /nfs/dbraw/zinc/05/40/65/385054065.db2.gz ZPBXXGAHEYDNAQ-BJDJZHNGSA-N 0 3 229.320 0.947 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@@H](C)CS(C)(=O)=O ZINC000308738044 385055801 /nfs/dbraw/zinc/05/58/01/385055801.db2.gz MTFKSVWOQDPJDV-XHNCKOQMSA-N 0 3 237.390 0.903 20 0 BCADHN CN(C)CCNC(=O)Cc1c[nH]c2ncccc12 ZINC000150746272 385056691 /nfs/dbraw/zinc/05/66/91/385056691.db2.gz PZVKEUYMSYNEEF-UHFFFAOYSA-N 0 3 246.314 0.783 20 0 BCADHN C[C@@H](C(=O)N1CC[C@H]2CN(C)C[C@@H]21)N(C)C ZINC000646917149 385059075 /nfs/dbraw/zinc/05/90/75/385059075.db2.gz YLYFLQNXPHPMIS-DCAQKATOSA-N 0 3 225.336 0.099 20 0 BCADHN CC(C)OCC[C@H](O)CNC1COCCOC1 ZINC000644652462 385059790 /nfs/dbraw/zinc/05/97/90/385059790.db2.gz PCOOEWDFXDDOGR-LBPRGKRZSA-N 0 3 247.335 0.167 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H](CCC)C(=O)OC ZINC000336655134 385059982 /nfs/dbraw/zinc/05/99/82/385059982.db2.gz FWWZBYXSDKPJBK-IUCAKERBSA-N 0 3 230.308 0.572 20 0 BCADHN CC[C@@](C)(NCCC(=O)NC(C)C)C(N)=O ZINC000177576599 385060042 /nfs/dbraw/zinc/06/00/42/385060042.db2.gz KWASDPYBSYDXPM-LLVKDONJSA-N 0 3 229.324 0.145 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)ncn1 ZINC000646924258 385060439 /nfs/dbraw/zinc/06/04/39/385060439.db2.gz DYGYIGZIRUNQED-JQWIXIFHSA-N 0 3 246.314 0.561 20 0 BCADHN CN1C[C@H]2CCN(C(=O)CCC(C)(C)O)[C@@H]2C1 ZINC000646920437 385061727 /nfs/dbraw/zinc/06/17/27/385061727.db2.gz RLXDXGRUNIBNEZ-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN Cn1cccc1CNCCC[S@](C)=O ZINC000119304321 385062103 /nfs/dbraw/zinc/06/21/03/385062103.db2.gz KICCLKHUVVEAHL-CQSZACIVSA-N 0 3 214.334 0.883 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CNC1CC1 ZINC000154338875 385062196 /nfs/dbraw/zinc/06/21/96/385062196.db2.gz PNQQVZFHWSOJQZ-RKDXNWHRSA-N 0 3 241.335 0.158 20 0 BCADHN CCN(CC)CCNS(=O)(=O)c1ccco1 ZINC000188548844 385062967 /nfs/dbraw/zinc/06/29/67/385062967.db2.gz MSBXVRXQZLQHBZ-UHFFFAOYSA-N 0 3 246.332 0.900 20 0 BCADHN COCCOC[C@@H](O)CN[C@@H]1CCC[C@@H]1F ZINC000644655651 385063125 /nfs/dbraw/zinc/06/31/25/385063125.db2.gz ZFACNSRKMSZADU-GARJFASQSA-N 0 3 235.299 0.491 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccn(C)n2)C1 ZINC000646922865 385063106 /nfs/dbraw/zinc/06/31/06/385063106.db2.gz RAGRDSAYQXKVSD-ONGXEEELSA-N 0 3 234.303 0.196 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)CCC(C)(C)O)[C@@H]2C1 ZINC000646920440 385063126 /nfs/dbraw/zinc/06/31/26/385063126.db2.gz RLXDXGRUNIBNEZ-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN CCn1ccnc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646912149 385064919 /nfs/dbraw/zinc/06/49/19/385064919.db2.gz NYAYRCSFOIAONU-GHMZBOCLSA-N 0 3 248.330 0.679 20 0 BCADHN C[C@@H](F)CCN[C@@H](C)CS(C)(=O)=O ZINC000340465929 385065657 /nfs/dbraw/zinc/06/56/57/385065657.db2.gz YIHFFGRLIKSQCN-SFYZADRCSA-N 0 3 211.302 0.757 20 0 BCADHN CN1CCC[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000648274273 385067444 /nfs/dbraw/zinc/06/74/44/385067444.db2.gz VUWUHKCRWRXQJC-YUMQZZPRSA-N 0 3 218.247 0.852 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H]2CN(C)C[C@H]21)N(C)C ZINC000646937796 385068983 /nfs/dbraw/zinc/06/89/83/385068983.db2.gz SSPBDLUECQIRPY-QJPTWQEYSA-N 0 3 239.363 0.489 20 0 BCADHN CCC[C@H](O)CC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646940951 385069331 /nfs/dbraw/zinc/06/93/31/385069331.db2.gz QIORUBJFRRNZJS-GRYCIOLGSA-N 0 3 240.347 0.700 20 0 BCADHN CCC[C@](C)(O)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646941247 385069936 /nfs/dbraw/zinc/06/99/36/385069936.db2.gz WMICIGMKHOAPMZ-WZRBSPASSA-N 0 3 240.347 0.700 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3(C)CC3)[C@H]2C1 ZINC000646915680 385070338 /nfs/dbraw/zinc/07/03/38/385070338.db2.gz SNERJAHUKBBAHS-ZJUUUORDSA-N 0 3 208.305 0.949 20 0 BCADHN CN(C)C1(CNCc2nccn2C)CCC1 ZINC000165155590 385073055 /nfs/dbraw/zinc/07/30/55/385073055.db2.gz NBHNVOFPMYVVPC-UHFFFAOYSA-N 0 3 222.336 0.994 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)N)C(=O)Nc1ccccc1 ZINC000060237265 385073930 /nfs/dbraw/zinc/07/39/30/385073930.db2.gz OWAPSPDGIPKOHR-DTWKUNHWSA-N 0 3 235.287 0.477 20 0 BCADHN CCc1n[nH]cc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646927437 385074090 /nfs/dbraw/zinc/07/40/90/385074090.db2.gz KUNVMBDFUPJNSH-BXKDBHETSA-N 0 3 248.330 0.748 20 0 BCADHN CC(C)[C@](C)(O)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646927254 385075236 /nfs/dbraw/zinc/07/52/36/385075236.db2.gz HAGNGXZOKYWRGK-LOWVWBTDSA-N 0 3 240.347 0.556 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646931190 385075349 /nfs/dbraw/zinc/07/53/49/385075349.db2.gz XIXCECUVOIDIDS-GMTAPVOTSA-N 0 3 226.320 0.166 20 0 BCADHN COCc1cc(C(=O)N(C)CCN(C)C)no1 ZINC000176386243 385077466 /nfs/dbraw/zinc/07/74/66/385077466.db2.gz HKWXTQCZZSGYKF-UHFFFAOYSA-N 0 3 241.291 0.455 20 0 BCADHN C[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)c1cccnc1 ZINC000188697141 385078042 /nfs/dbraw/zinc/07/80/42/385078042.db2.gz OJGOZOOMYYAMAQ-DVVUODLYSA-N 0 3 237.278 0.959 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C2(O)CCC2)C1 ZINC000646934167 385078908 /nfs/dbraw/zinc/07/89/08/385078908.db2.gz PDMYGCUZZOUJJV-UWVGGRQHSA-N 0 3 224.304 0.064 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CC[C@H](CO)C2)C1 ZINC000646946288 385082304 /nfs/dbraw/zinc/08/23/04/385082304.db2.gz NRSREWJLZSSZNK-QWRGUYRKSA-N 0 3 226.320 0.169 20 0 BCADHN C[C@@H](O)CNCc1ccc(S(C)(=O)=O)s1 ZINC000644630890 385024005 /nfs/dbraw/zinc/02/40/05/385024005.db2.gz DWGGBWJKIRXLGC-SSDOTTSWSA-N 0 3 249.357 0.622 20 0 BCADHN CC(C)[C@@H](NCC(N)=O)C1(CO)CCC1 ZINC000339731450 385025445 /nfs/dbraw/zinc/02/54/45/385025445.db2.gz SGKIRAYGAQLEPM-SNVBAGLBSA-N 0 3 214.309 0.249 20 0 BCADHN C[C@@H](O)CN(CCO)Cc1ccc(CO)cc1 ZINC000310397097 385032705 /nfs/dbraw/zinc/03/27/05/385032705.db2.gz FTHVNLUCBMVLLD-LLVKDONJSA-N 0 3 239.315 0.354 20 0 BCADHN CC(=O)NCCCNCc1c(Cl)cnn1C ZINC000130362818 385035660 /nfs/dbraw/zinc/03/56/60/385035660.db2.gz YTQIUVOGLRNYPI-UHFFFAOYSA-N 0 3 244.726 0.689 20 0 BCADHN Cc1ccc(CN[C@@H]2CO[C@@H](C)C2)c(=O)n1C ZINC000647206946 385041705 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228.336 0.999 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000227386197 385134458 /nfs/dbraw/zinc/13/44/58/385134458.db2.gz ODBBQLKCLQAWBQ-YUMQZZPRSA-N 0 3 243.332 0.602 20 0 BCADHN CO[C@H](CN)C(=O)NCCOC1CCCC1 ZINC000227384567 385135207 /nfs/dbraw/zinc/13/52/07/385135207.db2.gz ZBAWZEZBNBNQBC-SNVBAGLBSA-N 0 3 230.308 0.036 20 0 BCADHN CS(=O)(=O)NCCN1CC[C@H]2CCC[C@H]21 ZINC000336346019 385139279 /nfs/dbraw/zinc/13/92/79/385139279.db2.gz BOIGUNMSOPLROA-NXEZZACHSA-N 0 3 232.349 0.410 20 0 BCADHN CC(C)C(=O)N[C@H]1CCCN(C[C@H](C)O)C1 ZINC000407955086 385139468 /nfs/dbraw/zinc/13/94/68/385139468.db2.gz HHEZUXAAOYQNBS-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CC(=O)N[C@H]1CCCN([C@H]2CCOC2)C1 ZINC000336329241 385085983 /nfs/dbraw/zinc/08/59/83/385085983.db2.gz DZLZGWCKDJIEDK-QWRGUYRKSA-N 0 3 212.293 0.376 20 0 BCADHN CN(C)C1(CNCc2ccn(C)n2)CCC1 ZINC000165224785 385088312 /nfs/dbraw/zinc/08/83/12/385088312.db2.gz ORHNLHGSUKTYHA-UHFFFAOYSA-N 0 3 222.336 0.994 20 0 BCADHN COC[C@H](O)CNCc1cc(F)cc(OC)c1 ZINC000312535803 385091765 /nfs/dbraw/zinc/09/17/65/385091765.db2.gz QFQFSBHGQUYXNX-LLVKDONJSA-N 0 3 243.278 0.931 20 0 BCADHN COC(=O)CCCN1C[C@@H](O)C[C@@H]1C ZINC000340915329 385092252 /nfs/dbraw/zinc/09/22/52/385092252.db2.gz SHLDNUDKZUMJAX-IUCAKERBSA-N 0 3 201.266 0.395 20 0 BCADHN CNc1snc(C)c1C(=O)NCCN(C)C ZINC000119461134 385093359 /nfs/dbraw/zinc/09/33/59/385093359.db2.gz ITBSBQIYCBFALP-UHFFFAOYSA-N 0 3 242.348 0.785 20 0 BCADHN Cc1cc(CC(=O)N2CCN[C@@H](C)[C@H]2C)no1 ZINC000262742743 385093382 /nfs/dbraw/zinc/09/33/82/385093382.db2.gz FDHOOFDASNOYRG-VHSXEESVSA-N 0 3 237.303 0.734 20 0 BCADHN C[C@H](N)C(=O)NCCc1cc(F)cc(F)c1 ZINC000060718832 385098526 /nfs/dbraw/zinc/09/85/26/385098526.db2.gz RWLODCIJBNIVKC-ZETCQYMHSA-N 0 3 228.242 0.971 20 0 BCADHN Cc1cc(CN2CC[C@H](CC(N)=O)C2)ncn1 ZINC000644693533 385102666 /nfs/dbraw/zinc/10/26/66/385102666.db2.gz HAYQRUBBRZJPMJ-SNVBAGLBSA-N 0 3 234.303 0.482 20 0 BCADHN Cc1cc(C(=O)NC[C@@](C)(O)CN(C)C)co1 ZINC000188882404 385102784 /nfs/dbraw/zinc/10/27/84/385102784.db2.gz ZRJKTMFWHSJDTA-GFCCVEGCSA-N 0 3 240.303 0.630 20 0 BCADHN NS(=O)(=O)C1CCN([C@@H]2C=CCCC2)CC1 ZINC000336365588 385183913 /nfs/dbraw/zinc/18/39/13/385183913.db2.gz PNAXKEJSPYKZPK-SNVBAGLBSA-N 0 3 244.360 0.848 20 0 BCADHN CN(CCCc1ccncc1)[C@H]1CCNC1=O ZINC000360468160 385187301 /nfs/dbraw/zinc/18/73/01/385187301.db2.gz LQVHCPJATIJVDX-LBPRGKRZSA-N 0 3 233.315 0.835 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](O)CC(C)(C)C ZINC000178144276 385188850 /nfs/dbraw/zinc/18/88/50/385188850.db2.gz IBKJOKUXKXUMDI-IUCAKERBSA-N 0 3 216.325 0.637 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H](O)CC(C)(C)C ZINC000178144264 385189343 /nfs/dbraw/zinc/18/93/43/385189343.db2.gz IBKJOKUXKXUMDI-BDAKNGLRSA-N 0 3 216.325 0.637 20 0 BCADHN Cn1cc(CN2CC[C@H]3CN(C)C[C@H]32)cn1 ZINC000644728278 385195832 /nfs/dbraw/zinc/19/58/32/385195832.db2.gz GYJFXEQLJRQILK-NWDGAFQWSA-N 0 3 220.320 0.556 20 0 BCADHN C[C@](O)(CN[C@@H]1CCOC1)c1ccco1 ZINC000088735081 385144700 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/nfs/dbraw/zinc/16/70/01/385167001.db2.gz ZJHTUDBUBZVFFW-WPRPVWTQSA-N 0 3 224.260 0.527 20 0 BCADHN COC1(C)CCN([C@@H]2COC[C@@H]2O)CC1 ZINC000308800689 385170184 /nfs/dbraw/zinc/17/01/84/385170184.db2.gz DNICLSKFJWEBMV-ZJUUUORDSA-N 0 3 215.293 0.247 20 0 BCADHN CCOC(=O)C[C@@H](C)N(C)CCOC ZINC000043623001 385170854 /nfs/dbraw/zinc/17/08/54/385170854.db2.gz XVYYHRPTAIVVSF-SECBINFHSA-N 0 3 203.282 0.906 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000157423249 385171930 /nfs/dbraw/zinc/17/19/30/385171930.db2.gz OVJANKZWGBZHCZ-ONGXEEELSA-N 0 3 238.335 0.971 20 0 BCADHN COC(=O)CCCN1CC[C@](C)(O)C1 ZINC000178019582 385173140 /nfs/dbraw/zinc/17/31/40/385173140.db2.gz NKSPCYCHIMMZRB-JTQLQIEISA-N 0 3 201.266 0.396 20 0 BCADHN COC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000648309429 385177638 /nfs/dbraw/zinc/17/76/38/385177638.db2.gz UVTLSTXEZYTISP-MNOVXSKESA-N 0 3 238.331 0.861 20 0 BCADHN Cc1c[nH]nc1CNCC[C@H](C)[S@@](C)=O ZINC000308846906 385206869 /nfs/dbraw/zinc/20/68/69/385206869.db2.gz MORJDBDUAMVHGC-BJOHPYRUSA-N 0 3 229.349 0.965 20 0 BCADHN Cn1nccc1NC(=O)[C@@H](N)C(C)(C)C ZINC000044593736 385210580 /nfs/dbraw/zinc/21/05/80/385210580.db2.gz DWWVFYXCWXITFS-MRVPVSSYSA-N 0 3 210.281 0.732 20 0 BCADHN CC(C)[C@H](C(=O)NCCCCO)N(C)C ZINC000427819825 385210843 /nfs/dbraw/zinc/21/08/43/385210843.db2.gz LWDPSMZVUZSHQH-SNVBAGLBSA-N 0 3 216.325 0.461 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CC[S@@](=O)[C@@H](C)C1 ZINC000569337441 385212653 /nfs/dbraw/zinc/21/26/53/385212653.db2.gz AIQRKSHONDBSCU-KUEQOTSFSA-N 0 3 246.376 0.339 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1COCC1(C)C ZINC000313028560 385212779 /nfs/dbraw/zinc/21/27/79/385212779.db2.gz HCFXHLUAPGNHHX-SECBINFHSA-N 0 3 214.309 0.526 20 0 BCADHN O=C1C[C@H](N[C@H]2CCOC2)[C@@H]2CCCCN12 ZINC000300964960 385216824 /nfs/dbraw/zinc/21/68/24/385216824.db2.gz PXQIGLUUHCCDNK-DCAQKATOSA-N 0 3 224.304 0.518 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)C1=COCCC1 ZINC000152808559 385216956 /nfs/dbraw/zinc/21/69/56/385216956.db2.gz IYIATZCTJCYQRG-GFCCVEGCSA-N 0 3 242.319 0.110 20 0 BCADHN C[C@H](NC(=O)CN)[C@H](O)Cc1ccccc1 ZINC000521046487 385221188 /nfs/dbraw/zinc/22/11/88/385221188.db2.gz UOFSTYHZKSCYDT-GXSJLCMTSA-N 0 3 222.288 0.053 20 0 BCADHN COC[C@@H](C)NC(=O)[C@H](N)CC(C)C ZINC000019436835 385222595 /nfs/dbraw/zinc/22/25/95/385222595.db2.gz SXRGJKGTVAVGCO-RKDXNWHRSA-N 0 3 202.298 0.511 20 0 BCADHN Cn1nccc1C(=O)NC1CCN(C2CC2)CC1 ZINC000063501658 385226708 /nfs/dbraw/zinc/22/67/08/385226708.db2.gz IBEFGDQKZIOQQY-UHFFFAOYSA-N 0 3 248.330 0.777 20 0 BCADHN Cn1cncc1CNCCCO[C@@H]1CCOC1 ZINC000152997521 385228681 /nfs/dbraw/zinc/22/86/81/385228681.db2.gz BSSDTOKPFBHDDC-GFCCVEGCSA-N 0 3 239.319 0.705 20 0 BCADHN CCN(CCCN(C)C)c1nccn(C)c1=O ZINC000190288297 385229024 /nfs/dbraw/zinc/22/90/24/385229024.db2.gz SIPCCAYHJKFTIU-UHFFFAOYSA-N 0 3 238.335 0.558 20 0 BCADHN O=C(CN[C@H]1CCCSC1)NCC(F)F ZINC000308862955 385230545 /nfs/dbraw/zinc/23/05/45/385230545.db2.gz CIOACLHPSFTNCC-ZETCQYMHSA-N 0 3 238.303 0.853 20 0 BCADHN CCC[C@H](O)CNC(=O)C1(N)CCCCC1 ZINC000157625389 385231912 /nfs/dbraw/zinc/23/19/12/385231912.db2.gz ZXJXNJKOMRZYQD-JTQLQIEISA-N 0 3 228.336 0.925 20 0 BCADHN C[C@@H](N)C(=O)N1CCS[C@H](C)[C@H]1C ZINC000157705771 385257108 /nfs/dbraw/zinc/25/71/08/385257108.db2.gz UZZNKSVZKPPPLR-BWZBUEFSSA-N 0 3 202.323 0.686 20 0 BCADHN C[C@@H](CN[C@@H]1CCCS(=O)(=O)C1)N(C)C ZINC000068940078 385232533 /nfs/dbraw/zinc/23/25/33/385232533.db2.gz NAHUHTJVHGJGCG-VHSXEESVSA-N 0 3 234.365 0.103 20 0 BCADHN COCC[C@H](C)NCC(=O)NC1CC1 ZINC000045019368 385235570 /nfs/dbraw/zinc/23/55/70/385235570.db2.gz SUKJJJAWPNKHCR-QMMMGPOBSA-N 0 3 200.282 0.280 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(CC(N)=O)C(C)C ZINC000037655056 385236060 /nfs/dbraw/zinc/23/60/60/385236060.db2.gz YEOWNYDCPQDPMO-LLVKDONJSA-N 0 3 229.324 0.226 20 0 BCADHN Cc1cc(CN2CC[C@H]3CN(C)C[C@@H]32)ncn1 ZINC000644729735 385238238 /nfs/dbraw/zinc/23/82/38/385238238.db2.gz NPFMOOQCDZYWMG-AAEUAGOBSA-N 0 3 232.331 0.921 20 0 BCADHN CN(C)CCN[C@H]1CCCc2c1cnn2C ZINC000037051410 385238745 /nfs/dbraw/zinc/23/87/45/385238745.db2.gz VBENKZLYUIUAPG-NSHDSACASA-N 0 3 222.336 0.949 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2CC(=O)NCC2CC2)C1 ZINC000644730321 385257437 /nfs/dbraw/zinc/25/74/37/385257437.db2.gz UYXLSGGEEQMSPS-RYUDHWBXSA-N 0 3 237.347 0.149 20 0 BCADHN O=C(C[C@@H]1CSCCN1)NC[C@H]1CCCO1 ZINC000085612708 134447167 /nfs/dbraw/zinc/44/71/67/134447167.db2.gz ZEFYATUXNKZITO-NXEZZACHSA-N 0 3 244.360 0.377 20 0 BCADHN CC(C)CCOCCNC(=O)[C@@H](C)N ZINC000045109073 385241982 /nfs/dbraw/zinc/24/19/82/385241982.db2.gz SLVWILGFCZQCGP-SECBINFHSA-N 0 3 202.298 0.513 20 0 BCADHN Cc1cc(CN2CC[C@H]3CN(C)C[C@@H]32)nn1C ZINC000644729799 385242178 /nfs/dbraw/zinc/24/21/78/385242178.db2.gz HDGCAASHWPUVPV-AAEUAGOBSA-N 0 3 234.347 0.864 20 0 BCADHN CN(CCOCCO)[C@@H]1CCCOC1 ZINC000301051453 385247587 /nfs/dbraw/zinc/24/75/87/385247587.db2.gz UOFCZZURXOKMGC-SNVBAGLBSA-N 0 3 203.282 0.106 20 0 BCADHN Cn1cncc1CNCC1=CCCOC1 ZINC000308893017 385248733 /nfs/dbraw/zinc/24/87/33/385248733.db2.gz XXGHGYXPTLGAGX-UHFFFAOYSA-N 0 3 207.277 0.856 20 0 BCADHN Cc1nnc(CN2CC[C@H]3CN(C)C[C@@H]32)o1 ZINC000644730505 385257872 /nfs/dbraw/zinc/25/78/72/385257872.db2.gz VUCCWSVBTQJHKY-UWVGGRQHSA-N 0 3 222.292 0.514 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H](C)N)CCS1 ZINC000157712698 385253175 /nfs/dbraw/zinc/25/31/75/385253175.db2.gz QRKQQDAPPGDCIC-SFYZADRCSA-N 0 3 202.323 0.688 20 0 BCADHN Cc1ccc([O-])c(CN2CCO[C@@H](C[NH3+])C2)n1 ZINC000164675291 385253791 /nfs/dbraw/zinc/25/37/91/385253791.db2.gz MDRNAZGDKPNBLV-JTQLQIEISA-N 0 3 237.303 0.255 20 0 BCADHN CC(C)c1ncc(CNC[C@H](O)CO)s1 ZINC000308887115 385253772 /nfs/dbraw/zinc/25/37/72/385253772.db2.gz WCXCBAWRRGUBMA-QMMMGPOBSA-N 0 3 230.333 0.709 20 0 BCADHN CCOC[C@@H]1CCCN([C@@H]2CCNC2=O)C1 ZINC000178202758 385204656 /nfs/dbraw/zinc/20/46/56/385204656.db2.gz XUJJBNPHJHFROX-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CO[C@@H]1CCCC[C@@H]1N[C@H]1CCNC1=O ZINC000308938902 385305404 /nfs/dbraw/zinc/30/54/04/385305404.db2.gz LPXDXTPSFQOAMA-LPEHRKFASA-N 0 3 212.293 0.422 20 0 BCADHN C[C@@]1(O)CCN(Cc2cccc(C(N)=O)c2)C1 ZINC000178021862 385324106 /nfs/dbraw/zinc/32/41/06/385324106.db2.gz KPQUNZSKOPWIKW-CYBMUJFWSA-N 0 3 234.299 0.742 20 0 BCADHN CC[C@H](N)C(=O)NCCNC(=O)c1ccccc1 ZINC000177960076 385309616 /nfs/dbraw/zinc/30/96/16/385309616.db2.gz XWRWQGHKUYBNTQ-NSHDSACASA-N 0 3 249.314 0.270 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@H](C)CS(C)(=O)=O ZINC000191648343 385313046 /nfs/dbraw/zinc/31/30/46/385313046.db2.gz IJIRSWKNXFJHNC-VGMNWLOBSA-N 0 3 223.338 0.433 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@](C)(O)C1CC1 ZINC000308962007 385314510 /nfs/dbraw/zinc/31/45/10/385314510.db2.gz GQHXCJVTJCNKGB-SCZZXKLOSA-N 0 3 235.349 0.170 20 0 BCADHN CC(=O)Nc1ccc(CN[C@H](C)CC(N)=O)cc1 ZINC000131202639 385316213 /nfs/dbraw/zinc/31/62/13/385316213.db2.gz RYNVEAQMPTYOFZ-SECBINFHSA-N 0 3 249.314 0.999 20 0 BCADHN Cc1nc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c[nH]1 ZINC000272557030 385316982 /nfs/dbraw/zinc/31/69/82/385316982.db2.gz TZBJGISVWLBCPU-JQWIXIFHSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1ncc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[nH]1 ZINC000272557030 385316987 /nfs/dbraw/zinc/31/69/87/385316987.db2.gz TZBJGISVWLBCPU-JQWIXIFHSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1nc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c[nH]1 ZINC000272557085 385317996 /nfs/dbraw/zinc/31/79/96/385317996.db2.gz TZBJGISVWLBCPU-ZYHUDNBSSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1ncc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)[nH]1 ZINC000272557085 385317999 /nfs/dbraw/zinc/31/79/99/385317999.db2.gz TZBJGISVWLBCPU-ZYHUDNBSSA-N 0 3 248.330 0.884 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)NCC(F)F)C1 ZINC000167470693 385318833 /nfs/dbraw/zinc/31/88/33/385318833.db2.gz SADGXHPXIGCWGX-BQBZGAKWSA-N 0 3 206.236 0.756 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[nH]n1 ZINC000272598813 385320550 /nfs/dbraw/zinc/32/05/50/385320550.db2.gz YGTVGZCLOXWYAG-JQWIXIFHSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)n[nH]1 ZINC000272598813 385320553 /nfs/dbraw/zinc/32/05/53/385320553.db2.gz YGTVGZCLOXWYAG-JQWIXIFHSA-N 0 3 248.330 0.884 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000157992295 385321190 /nfs/dbraw/zinc/32/11/90/385321190.db2.gz LRLSGTIADMJPOK-XKNYDFJKSA-N 0 3 224.304 0.407 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H]1CCC[C@]1(C)CO ZINC000492233285 385321747 /nfs/dbraw/zinc/32/17/47/385321747.db2.gz SPPJTYLNWBEALP-HHQZKXIDSA-N 0 3 240.347 0.772 20 0 BCADHN COCC[C@@](C)(O)CNCc1ccnn1C ZINC000177560043 385259080 /nfs/dbraw/zinc/25/90/80/385259080.db2.gz DKSZHBAYHZXXDH-LLVKDONJSA-N 0 3 227.308 0.297 20 0 BCADHN CC(C)CNC(=O)CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644731239 385259605 /nfs/dbraw/zinc/25/96/05/385259605.db2.gz NTLRUYGDBBIWKS-NEPJUHHUSA-N 0 3 239.363 0.395 20 0 BCADHN CC(C)n1nccc1CNC[C@@]1(O)CCOC1 ZINC000280122607 385261766 /nfs/dbraw/zinc/26/17/66/385261766.db2.gz CNJVOJUOBUXMTM-LBPRGKRZSA-N 0 3 239.319 0.705 20 0 BCADHN CSCC[C@H](C)N(C)C(=O)[C@H](C)N ZINC000157732174 385263070 /nfs/dbraw/zinc/26/30/70/385263070.db2.gz MNOVYNOWFAIVGV-YUMQZZPRSA-N 0 3 204.339 0.934 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000157718828 385263586 /nfs/dbraw/zinc/26/35/86/385263586.db2.gz UIZATJWCNSVLLB-ONOSFVFSSA-N 0 3 220.272 0.108 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H](O)c1ccccc1F ZINC000153567746 385263716 /nfs/dbraw/zinc/26/37/16/385263716.db2.gz ASAGUULQHRHHJL-QWRGUYRKSA-N 0 3 240.278 0.713 20 0 BCADHN C[C@H](O)CN(Cc1cccnc1)[C@@H](C)CO ZINC000190856913 385265639 /nfs/dbraw/zinc/26/56/39/385265639.db2.gz UUMQWFXJEYAMLC-QWRGUYRKSA-N 0 3 224.304 0.645 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCN(C(C)=O)CC1 ZINC000037716184 385269100 /nfs/dbraw/zinc/26/91/00/385269100.db2.gz SARBRGGXBRMVBA-GFCCVEGCSA-N 0 3 241.335 0.195 20 0 BCADHN O[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O ZINC000408447639 385322647 /nfs/dbraw/zinc/32/26/47/385322647.db2.gz ZKYMJBYFRPTVHX-VXGBXAGGSA-N 0 3 229.320 0.231 20 0 BCADHN O=C(N[C@@H]1CC12CC2)[C@H]1CN2CCN1CCC2 ZINC000424981118 385273094 /nfs/dbraw/zinc/27/30/94/385273094.db2.gz ZBLGJNGXQANJOG-GHMZBOCLSA-N 0 3 235.331 0.045 20 0 BCADHN CCCCCNC(=O)[C@]1(F)CCNC1 ZINC000308905539 385276144 /nfs/dbraw/zinc/27/61/44/385276144.db2.gz MZXWBNFQHWKLCJ-JTQLQIEISA-N 0 3 202.273 0.994 20 0 BCADHN CCN(CC)CC(=O)N(C)CCn1cccn1 ZINC000111038801 385280349 /nfs/dbraw/zinc/28/03/49/385280349.db2.gz OTQPIKRAPVPKLO-UHFFFAOYSA-N 0 3 238.335 0.683 20 0 BCADHN O=C(CN1CCC[C@@H]1CCO)NC1CC1 ZINC000308908103 385285159 /nfs/dbraw/zinc/28/51/59/385285159.db2.gz VZYGTJJGACDSPO-SNVBAGLBSA-N 0 3 212.293 0.112 20 0 BCADHN C[C@H]1CC(O)C[C@H](C)N1CCOCCO ZINC000191142945 385286585 /nfs/dbraw/zinc/28/65/85/385286585.db2.gz QJAUKMSBNFNWMO-UWVGGRQHSA-N 0 3 217.309 0.229 20 0 BCADHN COC(=O)CC1(NCCF)CCOCC1 ZINC000308913237 385287019 /nfs/dbraw/zinc/28/70/19/385287019.db2.gz FEPYYGGSVDXFPS-UHFFFAOYSA-N 0 3 219.256 0.658 20 0 BCADHN Cc1nnc(CN2CC[C@H]3CN(C)C[C@@H]32)n1C ZINC000644732326 385287750 /nfs/dbraw/zinc/28/77/50/385287750.db2.gz GIBUXWGUAFVKJO-QWRGUYRKSA-N 0 3 235.335 0.259 20 0 BCADHN CC(C)(C)[C@H](NCc1cnc[nH]1)C(N)=O ZINC000280276043 385288812 /nfs/dbraw/zinc/28/88/12/385288812.db2.gz RRDZEDHSKYNQAW-MRVPVSSYSA-N 0 3 210.281 0.399 20 0 BCADHN COCCNCC(=O)NCC1CCSCC1 ZINC000158040964 385329277 /nfs/dbraw/zinc/32/92/77/385329277.db2.gz GXYGTHDCKYRXLD-UHFFFAOYSA-N 0 3 246.376 0.482 20 0 BCADHN C[C@@H](NCC1([S@](C)=O)CC1)c1cn[nH]c1 ZINC000308978483 385329835 /nfs/dbraw/zinc/32/98/35/385329835.db2.gz HGRWOEUQGVOQJV-GLEZIHRCSA-N 0 3 227.333 0.971 20 0 BCADHN CN(C)C[C@H]1CN(Cc2cocn2)CCO1 ZINC000191919236 385331483 /nfs/dbraw/zinc/33/14/83/385331483.db2.gz XNZHVTHNFDXNDJ-NSHDSACASA-N 0 3 225.292 0.437 20 0 BCADHN OCCCN(CCO)CCc1ccccc1 ZINC000109797988 385335215 /nfs/dbraw/zinc/33/52/15/385335215.db2.gz OSHQKWIRLRIDHC-UHFFFAOYSA-N 0 3 223.316 0.906 20 0 BCADHN COCCN(C)CCNC(=O)N[C@H]1CC12CC2 ZINC000425439475 385335297 /nfs/dbraw/zinc/33/52/97/385335297.db2.gz FEOXOPWIHQPLPD-JTQLQIEISA-N 0 3 241.335 0.416 20 0 BCADHN CC[C@H](NC[C@@H](O)COC)c1cnn(C)c1 ZINC000167866790 385336927 /nfs/dbraw/zinc/33/69/27/385336927.db2.gz ASXNJXRXCZVIDV-MNOVXSKESA-N 0 3 227.308 0.468 20 0 BCADHN CC(C)[C@H](O)CCNCc1cncn1C ZINC000308998338 385338528 /nfs/dbraw/zinc/33/85/28/385338528.db2.gz NGHUQFWKHMKOPH-LLVKDONJSA-N 0 3 211.309 0.917 20 0 BCADHN Cc1cc(NC(=O)[C@@H]2NCC2(C)C)c(=O)n(C)c1 ZINC000643976019 385339797 /nfs/dbraw/zinc/33/97/97/385339797.db2.gz ZPXXBVXWBUHWMH-JTQLQIEISA-N 0 3 249.314 0.630 20 0 BCADHN Cc1cc(CC(=O)NC[C@@H]2CCCN2C)[nH]n1 ZINC000154609540 385342165 /nfs/dbraw/zinc/34/21/65/385342165.db2.gz YGRGOBYIMFQBSX-NSHDSACASA-N 0 3 236.319 0.471 20 0 BCADHN Cc1cc(CC(=O)NC[C@@H]2CCCN2C)n[nH]1 ZINC000154609540 385342169 /nfs/dbraw/zinc/34/21/69/385342169.db2.gz YGRGOBYIMFQBSX-NSHDSACASA-N 0 3 236.319 0.471 20 0 BCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)CO ZINC000407996143 385342767 /nfs/dbraw/zinc/34/27/67/385342767.db2.gz OQPAKBKQCGDXDS-NXEZZACHSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@H](C[C@@H]1CCOC1)NC(=O)CNC1CC1 ZINC000643979283 385344455 /nfs/dbraw/zinc/34/44/55/385344455.db2.gz ULJMZGCPVIFZBA-ZJUUUORDSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@H](C[C@H]1CCOC1)NC(=O)CNC1CC1 ZINC000643979280 385344519 /nfs/dbraw/zinc/34/45/19/385344519.db2.gz ULJMZGCPVIFZBA-NXEZZACHSA-N 0 3 226.320 0.670 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H](CO)c1cnn(C)c1 ZINC000131558129 385344712 /nfs/dbraw/zinc/34/47/12/385344712.db2.gz WDDBYZNLLVOQLI-NGZCFLSTSA-N 0 3 227.308 0.467 20 0 BCADHN CC(C)C(=O)N[C@H]1CCCN(CC(C)(C)O)C1 ZINC000303990716 385347681 /nfs/dbraw/zinc/34/76/81/385347681.db2.gz LJXNROYMYIEFHJ-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2Cc2ncccn2)C1 ZINC000644733498 385348319 /nfs/dbraw/zinc/34/83/19/385348319.db2.gz MEPHIQPJPKHGCX-QWRGUYRKSA-N 0 3 218.304 0.613 20 0 BCADHN Cc1cc(CNC(=O)[C@H]2NCC2(C)C)no1 ZINC000643986548 385349286 /nfs/dbraw/zinc/34/92/86/385349286.db2.gz ZXEHZERNAKYIKF-SECBINFHSA-N 0 3 223.276 0.597 20 0 BCADHN O=C(Nc1nncs1)[C@@H]1CNCCC1(F)F ZINC000643983724 385350995 /nfs/dbraw/zinc/35/09/95/385350995.db2.gz YHJKRODIPGSXHD-YFKPBYRVSA-N 0 3 248.258 0.721 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000644735267 385351442 /nfs/dbraw/zinc/35/14/42/385351442.db2.gz UUVUFKUJDFWUHY-RYUDHWBXSA-N 0 3 239.363 0.491 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2Cc2ccon2)C1 ZINC000644735104 385351718 /nfs/dbraw/zinc/35/17/18/385351718.db2.gz QIYGHIRVDLRVEM-ONGXEEELSA-N 0 3 207.277 0.811 20 0 BCADHN Cn1cccc1C(=O)CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644735125 385352511 /nfs/dbraw/zinc/35/25/11/385352511.db2.gz VQLZRFSGGCSNTI-WCQYABFASA-N 0 3 247.342 0.844 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2Cc2nnnn2C2CC2)C1 ZINC000644734966 385352726 /nfs/dbraw/zinc/35/27/26/385352726.db2.gz SWTQPBWPUPMYQK-ONGXEEELSA-N 0 3 248.334 0.144 20 0 BCADHN C[C@H](C(=O)NCCC(N)=O)[C@@H](N)c1ccccc1 ZINC000131672877 385352857 /nfs/dbraw/zinc/35/28/57/385352857.db2.gz PCUHYYMTDZQYRW-JOYOIKCWSA-N 0 3 249.314 0.314 20 0 BCADHN Cc1nnc(CN2CC[C@H]3CN(C)C[C@H]32)[nH]1 ZINC000644734050 385354127 /nfs/dbraw/zinc/35/41/27/385354127.db2.gz QNNSIAVFQBCCFW-VHSXEESVSA-N 0 3 221.308 0.249 20 0 BCADHN Cc1nnc(CN2CC[C@@H]3CN(C)C[C@@H]32)s1 ZINC000644734423 385355001 /nfs/dbraw/zinc/35/50/01/385355001.db2.gz NJEFQSZCZCEHHA-ZJUUUORDSA-N 0 3 238.360 0.982 20 0 BCADHN C[C@@H](O)CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000192443896 385357183 /nfs/dbraw/zinc/35/71/83/385357183.db2.gz VFUVLSVNZIKDPE-RKDXNWHRSA-N 0 3 229.324 0.149 20 0 BCADHN C[C@@](CO)(NCC(N)=O)C1CCCCC1 ZINC000309008227 385359567 /nfs/dbraw/zinc/35/95/67/385359567.db2.gz QTJSMQBGILDJHM-NSHDSACASA-N 0 3 214.309 0.393 20 0 BCADHN CC(C)(C)N(CCn1ccnc1)CC(N)=O ZINC000131772889 385359706 /nfs/dbraw/zinc/35/97/06/385359706.db2.gz DBVSXQVLXVBFLY-UHFFFAOYSA-N 0 3 224.308 0.469 20 0 BCADHN CCNC(=O)CN[C@H](COC)CC(C)C ZINC000309047411 385391396 /nfs/dbraw/zinc/39/13/96/385391396.db2.gz PIDPZZXQFWMRRT-JTQLQIEISA-N 0 3 216.325 0.773 20 0 BCADHN CN1CCC(NC(=O)/C=C/c2ccncn2)CC1 ZINC000492336510 385362157 /nfs/dbraw/zinc/36/21/57/385362157.db2.gz HNACKUMSSIYNKO-NSCUHMNNSA-N 0 3 246.314 0.700 20 0 BCADHN C[C@@H](N[C@H]1CCOC1)C1(S(C)(=O)=O)CC1 ZINC000309022169 385365694 /nfs/dbraw/zinc/36/56/94/385365694.db2.gz XUGQRVVWWQWMQZ-BDAKNGLRSA-N 0 3 233.333 0.331 20 0 BCADHN C[C@@H](F)CCN[C@H](CO)c1cnn(C)c1 ZINC000309025622 385367682 /nfs/dbraw/zinc/36/76/82/385367682.db2.gz ZSXCAAJYVAXCHB-PSASIEDQSA-N 0 3 215.272 0.791 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2NCC2(C)C)[C@H](C)CO1 ZINC000644008149 385371472 /nfs/dbraw/zinc/37/14/72/385371472.db2.gz VWJYATHWMJOMNQ-BBBLOLIVSA-N 0 3 226.320 0.620 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NC[C@@H]1CCCCO1 ZINC000644013018 385376554 /nfs/dbraw/zinc/37/65/54/385376554.db2.gz HAXLZEFJENOQJD-UWVGGRQHSA-N 0 3 226.320 0.670 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NC[C@H]1CCCCO1 ZINC000644013017 385376783 /nfs/dbraw/zinc/37/67/83/385376783.db2.gz HAXLZEFJENOQJD-NXEZZACHSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@H](N[C@H]1CCCNC1=O)[C@H]1CCCO1 ZINC000309031700 385379517 /nfs/dbraw/zinc/37/95/17/385379517.db2.gz CCABBDZDPAFQJV-LPEHRKFASA-N 0 3 212.293 0.422 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NC[C@@]1(C)CCOC1 ZINC000644018667 385380598 /nfs/dbraw/zinc/38/05/98/385380598.db2.gz UKOJGVXHJVCNQL-JOYOIKCWSA-N 0 3 226.320 0.527 20 0 BCADHN CC(=O)CCC(=O)N(C)C[C@@H]1CCCN1C ZINC000309032746 385380671 /nfs/dbraw/zinc/38/06/71/385380671.db2.gz FXFXGXRCKHLAAE-NSHDSACASA-N 0 3 226.320 0.908 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000309051874 385383964 /nfs/dbraw/zinc/38/39/64/385383964.db2.gz QERPCXLRIXTQSO-NKWVEPMBSA-N 0 3 222.235 0.216 20 0 BCADHN CCOC[C@H](C)N[C@@H](CO)[C@@H]1CCCO1 ZINC000309051029 385384301 /nfs/dbraw/zinc/38/43/01/385384301.db2.gz RCLPFPZBASXVFU-DCAQKATOSA-N 0 3 217.309 0.541 20 0 BCADHN C[C@H](N)C(=O)NC[C@H](C)N1CCc2ccccc21 ZINC000165399603 385387546 /nfs/dbraw/zinc/38/75/46/385387546.db2.gz PERMRTTZZPLEDM-QWRGUYRKSA-N 0 3 247.342 0.901 20 0 BCADHN COC(=O)CCN1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000191796857 385326209 /nfs/dbraw/zinc/32/62/09/385326209.db2.gz RSZNARNRAJOSOC-UWVGGRQHSA-N 0 3 243.303 0.681 20 0 BCADHN CCN(CC)CCNC(=O)c1ccc(C=O)[nH]1 ZINC000170231847 385424831 /nfs/dbraw/zinc/42/48/31/385424831.db2.gz RLUYWPPJLOEGAT-UHFFFAOYSA-N 0 3 237.303 0.899 20 0 BCADHN O=C([C@H]1CNCCC1(F)F)N1CCOCC1 ZINC000644043059 385392803 /nfs/dbraw/zinc/39/28/03/385392803.db2.gz RXLJFIYJSGKKEY-MRVPVSSYSA-N 0 3 234.246 0.090 20 0 BCADHN Cc1c[nH]nc1CNC[C@H]1CCCN1C ZINC000289768884 385395348 /nfs/dbraw/zinc/39/53/48/385395348.db2.gz GIGLQTUKRDQAKK-SNVBAGLBSA-N 0 3 208.309 0.902 20 0 BCADHN COCCN(CCOC)C(=O)[C@H]1NCC1(C)C ZINC000644045592 385395492 /nfs/dbraw/zinc/39/54/92/385395492.db2.gz KSANFBGDUGMTHQ-SNVBAGLBSA-N 0 3 244.335 0.106 20 0 BCADHN Cc1ncc(NC(=O)[C@H]2NCC2(C)C)cn1 ZINC000644046268 385396838 /nfs/dbraw/zinc/39/68/38/385396838.db2.gz BSVWEJNUKJSQND-SECBINFHSA-N 0 3 220.276 0.722 20 0 BCADHN CC(C)C(C)(C)NC(=O)CCOC1CNC1 ZINC000644048068 385397026 /nfs/dbraw/zinc/39/70/26/385397026.db2.gz SHOYADHCLMXHDL-UHFFFAOYSA-N 0 3 228.336 0.916 20 0 BCADHN Cc1noc(CCNC(=O)[C@H]2NCC2(C)C)n1 ZINC000644043764 385397244 /nfs/dbraw/zinc/39/72/44/385397244.db2.gz KTMOGZJEVSKAIH-SECBINFHSA-N 0 3 238.291 0.035 20 0 BCADHN Cc1noc([C@H](C)NC(=O)[C@@H]2NCC2(C)C)n1 ZINC000644043825 385397928 /nfs/dbraw/zinc/39/79/28/385397928.db2.gz SOXHKPUSPKPBLM-XPUUQOCRSA-N 0 3 238.291 0.553 20 0 BCADHN COC(=O)[C@H]1CC[C@@H](NCc2cnn(C)c2)C1 ZINC000193497413 385398274 /nfs/dbraw/zinc/39/82/74/385398274.db2.gz IPWCROBILKUTSH-WDEREUQCSA-N 0 3 237.303 0.851 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NC[C@@]1(C)CCCO1 ZINC000644051946 385399805 /nfs/dbraw/zinc/39/98/05/385399805.db2.gz SDOUTJVFFQEBRK-JOYOIKCWSA-N 0 3 226.320 0.670 20 0 BCADHN CC(C)[C@@H](CO)NCC(=O)NCC1CCC1 ZINC000180613507 385399797 /nfs/dbraw/zinc/39/97/97/385399797.db2.gz JFWPPTFQYCOTDB-LLVKDONJSA-N 0 3 228.336 0.509 20 0 BCADHN CCn1cc(NC(=O)[C@@H]2NCC2(C)C)ccc1=O ZINC000644050524 385403024 /nfs/dbraw/zinc/40/30/24/385403024.db2.gz WIBJWAHUJQKMLQ-NSHDSACASA-N 0 3 249.314 0.805 20 0 BCADHN COC(=O)Cn1cc(CCN(C)C2CC2)nn1 ZINC000178914200 385425625 /nfs/dbraw/zinc/42/56/25/385425625.db2.gz MJLYBJPMFCLHNO-UHFFFAOYSA-N 0 3 238.291 0.088 20 0 BCADHN CO[C@@H]1C[C@@H](NC(=O)[C@H]2NCC2(C)C)C1(C)C ZINC000644054406 385405795 /nfs/dbraw/zinc/40/57/95/385405795.db2.gz KLMYBYOQVBHXEG-OPRDCNLKSA-N 0 3 240.347 0.914 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000372037831 385408328 /nfs/dbraw/zinc/40/83/28/385408328.db2.gz QSFLXHTWUJVIQQ-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](CO)NCc1cc(C(F)(F)F)n[nH]1 ZINC000309086566 385410103 /nfs/dbraw/zinc/41/01/03/385410103.db2.gz YGSDOEQOUCXXCI-RXMQYKEDSA-N 0 3 223.198 0.899 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)c1ccc[nH]1 ZINC000178714653 385413535 /nfs/dbraw/zinc/41/35/35/385413535.db2.gz XAHOUJLVBXHKLB-LLVKDONJSA-N 0 3 225.292 0.057 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H](O)c1cccc(F)c1 ZINC000155904631 385420096 /nfs/dbraw/zinc/42/00/96/385420096.db2.gz JVKLLTLDJRQMBQ-QWRGUYRKSA-N 0 3 240.278 0.713 20 0 BCADHN COCC[C@@](C)(O)CNCc1cn(C)nc1C ZINC000179091120 385440168 /nfs/dbraw/zinc/44/01/68/385440168.db2.gz IUFBLGBIBHUGPT-GFCCVEGCSA-N 0 3 241.335 0.606 20 0 BCADHN C[C@@H](O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000194951681 385453555 /nfs/dbraw/zinc/45/35/55/385453555.db2.gz MYFBFTOUOOXXRY-ZJUUUORDSA-N 0 3 209.293 0.590 20 0 BCADHN Cc1nn(C(C)C)cc1CNC[C@H](O)CO ZINC000281440034 385431157 /nfs/dbraw/zinc/43/11/57/385431157.db2.gz SAMBOMCMFSLQOE-NSHDSACASA-N 0 3 227.308 0.215 20 0 BCADHN CC[C@@H](N[C@@H](CC)C(N)=O)[C@@H]1CCCO1 ZINC000182274814 385435486 /nfs/dbraw/zinc/43/54/86/385435486.db2.gz PDEUSIDFQXEYEN-UTLUCORTSA-N 0 3 214.309 0.798 20 0 BCADHN C[C@H](N)C(=O)NCCCc1ccccn1 ZINC000182649295 385464936 /nfs/dbraw/zinc/46/49/36/385464936.db2.gz MLELDMDPZJHCFT-VIFPVBQESA-N 0 3 207.277 0.478 20 0 BCADHN Cc1n[nH]cc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000171105814 385466840 /nfs/dbraw/zinc/46/68/40/385466840.db2.gz SDHZXKYNCUSEMM-MRVPVSSYSA-N 0 3 236.319 0.931 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](CC)N(CC)CC)C(N)=O ZINC000362261590 385470186 /nfs/dbraw/zinc/47/01/86/385470186.db2.gz MDZWEYNFJQEOBT-NXEZZACHSA-N 0 3 243.351 0.487 20 0 BCADHN CC[C@@H](NC(=O)[C@H](CC)N(CC)CC)C(N)=O ZINC000362261594 385470476 /nfs/dbraw/zinc/47/04/76/385470476.db2.gz MDZWEYNFJQEOBT-ZJUUUORDSA-N 0 3 243.351 0.487 20 0 BCADHN C[C@@H](NC(=O)N[C@@H](C)CN(C)C)[C@H]1CCOC1 ZINC000498042934 385473155 /nfs/dbraw/zinc/47/31/55/385473155.db2.gz CSLQPXSAPDPMEX-AXFHLTTASA-N 0 3 243.351 0.661 20 0 BCADHN CCOC(=O)CCN1CCC[C@@H](C(=O)OC)C1 ZINC000171236095 385475222 /nfs/dbraw/zinc/47/52/22/385475222.db2.gz KZIRKFCRGAHEFH-SNVBAGLBSA-N 0 3 243.303 0.825 20 0 BCADHN O=C1C[C@@H](c2ccccc2)N(CCCO)CCN1 ZINC000171347160 385478785 /nfs/dbraw/zinc/47/87/85/385478785.db2.gz PQFYIBYDYQMUMU-ZDUSSCGKSA-N 0 3 248.326 0.932 20 0 BCADHN C[C@H](O)CN(CCO)CCN1CCCCC1 ZINC000309205888 385479300 /nfs/dbraw/zinc/47/93/00/385479300.db2.gz BCYSLUOLTQQGGX-LBPRGKRZSA-N 0 3 230.352 0.147 20 0 BCADHN Cc1ncc(CNCC2(C)COC2)cn1 ZINC000309210887 385480428 /nfs/dbraw/zinc/48/04/28/385480428.db2.gz SSMCCFFEFXLHRX-UHFFFAOYSA-N 0 3 207.277 0.911 20 0 BCADHN COC[C@H](NC(=O)[C@@H]1NCC1(C)C)C1CC1 ZINC000644105232 385481300 /nfs/dbraw/zinc/48/13/00/385481300.db2.gz ALHAVIVKNPIHMC-UWVGGRQHSA-N 0 3 226.320 0.526 20 0 BCADHN C[C@]1(NC(=O)[C@H]2CNCCC2(F)F)CCOC1 ZINC000644105267 385481654 /nfs/dbraw/zinc/48/16/54/385481654.db2.gz FFOMFFUSSRZVMK-SCZZXKLOSA-N 0 3 248.273 0.526 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(N)=O)C2)n1 ZINC000157102202 385485545 /nfs/dbraw/zinc/48/55/45/385485545.db2.gz RFCBOWRXYYSENH-SECBINFHSA-N 0 3 235.287 0.403 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C(N)=O)C2)n1 ZINC000157102202 385485552 /nfs/dbraw/zinc/48/55/52/385485552.db2.gz RFCBOWRXYYSENH-SECBINFHSA-N 0 3 235.287 0.403 20 0 BCADHN NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000179735298 385487674 /nfs/dbraw/zinc/48/76/74/385487674.db2.gz ZINNDAVIXWAODR-UHFFFAOYSA-N 0 3 234.303 0.966 20 0 BCADHN C[C@@H](N)C(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000156606753 385461014 /nfs/dbraw/zinc/46/10/14/385461014.db2.gz UPCICLRNEMPBQQ-MWLCHTKSSA-N 0 3 247.298 0.033 20 0 BCADHN C[C@H](NCCn1cncn1)c1cnn(C)c1 ZINC000309198069 385461260 /nfs/dbraw/zinc/46/12/60/385461260.db2.gz KPQYAZLXJCDJKT-VIFPVBQESA-N 0 3 220.280 0.362 20 0 BCADHN c1ncc(CN2CCC[C@@H](C3OCCO3)C2)[nH]1 ZINC000179370015 385462831 /nfs/dbraw/zinc/46/28/31/385462831.db2.gz LGBSTOBIMDVMKA-SNVBAGLBSA-N 0 3 237.303 0.995 20 0 BCADHN Nc1ncccc1CN1CC[C@H](CO)C1 ZINC000161694414 385462911 /nfs/dbraw/zinc/46/29/11/385462911.db2.gz XUAJUZYAXFCUQQ-VIFPVBQESA-N 0 3 207.277 0.478 20 0 BCADHN COC(=O)[C@@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000179852112 385494607 /nfs/dbraw/zinc/49/46/07/385494607.db2.gz ATAQHJNNJICEOM-SECBINFHSA-N 0 3 223.276 0.795 20 0 BCADHN CN(CCN1CCOCC1)C[C@H]1CCCO1 ZINC000111215958 385496339 /nfs/dbraw/zinc/49/63/39/385496339.db2.gz UGCKCJONFKXQNJ-GFCCVEGCSA-N 0 3 228.336 0.429 20 0 BCADHN Cc1ccn2c(c1)nnc2NC(=O)[C@H](C)N ZINC000157413597 385499501 /nfs/dbraw/zinc/49/95/01/385499501.db2.gz XWUNDPCEPNNPSH-ZETCQYMHSA-N 0 3 219.248 0.323 20 0 BCADHN C[C@H](NC1CC1)C(=O)Nc1ccccc1C(N)=O ZINC000295226928 385499732 /nfs/dbraw/zinc/49/97/32/385499732.db2.gz RMZRQXQLBDGXIP-QMMMGPOBSA-N 0 3 247.298 0.865 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N(C)CC1CCC1 ZINC000111296997 385503174 /nfs/dbraw/zinc/50/31/74/385503174.db2.gz LCNJVPPTSBNQGU-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@H](O)CN1CCCN(C(=O)C(C)C)CC1 ZINC000106385756 385506160 /nfs/dbraw/zinc/50/61/60/385506160.db2.gz BQTAQSDITVQHIH-LBPRGKRZSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@]1(O)CCCN(CCn2cncn2)CC1 ZINC000309278495 385507384 /nfs/dbraw/zinc/50/73/84/385507384.db2.gz HJMXQVSYWYJCRH-NSHDSACASA-N 0 3 224.308 0.515 20 0 BCADHN CN(C)CCSCC(=O)NC[C@H]1CCCO1 ZINC000106424063 385508206 /nfs/dbraw/zinc/50/82/06/385508206.db2.gz QPWHIVJEDALTEL-SNVBAGLBSA-N 0 3 246.376 0.576 20 0 BCADHN CC[C@@H](O)CCNC(=O)C1(N)CCCCC1 ZINC000157586869 385509873 /nfs/dbraw/zinc/50/98/73/385509873.db2.gz OHEWAWODIDSKAD-SNVBAGLBSA-N 0 3 228.336 0.925 20 0 BCADHN CC(C)[C@H](C(=O)NCC(C)(C)C(N)=O)N(C)C ZINC000106432670 385510843 /nfs/dbraw/zinc/51/08/43/385510843.db2.gz ATMJITBSWUBFHT-SECBINFHSA-N 0 3 243.351 0.200 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cocn3)[C@H]2C1 ZINC000644811202 385512798 /nfs/dbraw/zinc/51/27/98/385512798.db2.gz AQNFQDHELYMYHU-SCZZXKLOSA-N 0 3 221.260 0.451 20 0 BCADHN CCN(CCCS(C)(=O)=O)C[C@H]1CCOC1 ZINC000590818450 385528913 /nfs/dbraw/zinc/52/89/13/385528913.db2.gz QTARUTJXNIBLLF-LLVKDONJSA-N 0 3 249.376 0.780 20 0 BCADHN CC(C)[C@@H](CO)NCC(=O)NCc1ccco1 ZINC000180612827 385532147 /nfs/dbraw/zinc/53/21/47/385532147.db2.gz HWKIEJNJBWCSAZ-LLVKDONJSA-N 0 3 240.303 0.502 20 0 BCADHN C[C@@H](NCc1cc(C(N)=O)cs1)[C@H](C)CO ZINC000157881557 385533125 /nfs/dbraw/zinc/53/31/25/385533125.db2.gz ARCVQLARYFTALE-HTQZYQBOSA-N 0 3 242.344 0.954 20 0 BCADHN CC[C@@](C)(CNC[C@H]1CCCS1(=O)=O)OC ZINC000318974364 385536597 /nfs/dbraw/zinc/53/65/97/385536597.db2.gz FFZQNLZJFAIJOO-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN CC(C)[C@H](C(=O)NC1CCOCC1)N(C)C ZINC000106909012 385537910 /nfs/dbraw/zinc/53/79/10/385537910.db2.gz ALGQKWICXAVIFV-LLVKDONJSA-N 0 3 228.336 0.868 20 0 BCADHN COC[C@H]1CN(CC2CCOCC2)CCO1 ZINC000172883374 385538182 /nfs/dbraw/zinc/53/81/82/385538182.db2.gz STNPXBOJPQLJAD-GFCCVEGCSA-N 0 3 229.320 0.760 20 0 BCADHN C[C@@H](O)CN(CCO)C[C@@H]1CCC(C)(C)O1 ZINC000309337998 385539157 /nfs/dbraw/zinc/53/91/57/385539157.db2.gz WBGPENJRPLIWDF-MNOVXSKESA-N 0 3 231.336 0.619 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644813037 385540379 /nfs/dbraw/zinc/54/03/79/385540379.db2.gz FIGPVHLWBIGQFD-WHOHXGKFSA-N 0 3 238.331 0.574 20 0 BCADHN COCC[C@@](C)(O)CNCc1cnn(C)c1 ZINC000172072576 385547097 /nfs/dbraw/zinc/54/70/97/385547097.db2.gz HFKJVXWLUATTEF-LLVKDONJSA-N 0 3 227.308 0.297 20 0 BCADHN CSCCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000364956121 385547470 /nfs/dbraw/zinc/54/74/70/385547470.db2.gz RUSFIWKIEQATGQ-LPEHRKFASA-N 0 3 228.361 0.935 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644811932 385519743 /nfs/dbraw/zinc/51/97/43/385519743.db2.gz BKXOETCMYMKUHD-NNYUYHANSA-N 0 3 238.331 0.574 20 0 BCADHN CC[C@H](C)OCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644142500 385526664 /nfs/dbraw/zinc/52/66/64/385526664.db2.gz XRPAWNUFVKHKGA-GUBZILKMSA-N 0 3 232.299 0.618 20 0 BCADHN CC(C)CCCN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000364852944 385528567 /nfs/dbraw/zinc/52/85/67/385528567.db2.gz JGBYEUUIRZRBEE-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN CC(C)COCCN[C@H]1C(=O)NCC[C@H]1C ZINC000309370035 385554299 /nfs/dbraw/zinc/55/42/99/385554299.db2.gz QHWLAECXCWJLAH-GHMZBOCLSA-N 0 3 228.336 0.773 20 0 BCADHN Cc1nsc(N2C[C@H]3CN(C)C[C@H]3C2)n1 ZINC000364970255 385554381 /nfs/dbraw/zinc/55/43/81/385554381.db2.gz BVPYLXXNTYKOJV-DTORHVGOSA-N 0 3 224.333 0.844 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCCO2)C1 ZINC000644814326 385556128 /nfs/dbraw/zinc/55/61/28/385556128.db2.gz JOHCKGDKKCIKTL-DCAQKATOSA-N 0 3 224.304 0.328 20 0 BCADHN COC[C@H](N[C@@H]1CCCOC1)[C@@H]1CCCO1 ZINC000309379863 385557929 /nfs/dbraw/zinc/55/79/29/385557929.db2.gz AEEAEFGLMUOLPZ-WOPDTQHZSA-N 0 3 229.320 0.949 20 0 BCADHN Cc1cc(CCN[C@@H](C)CS(C)(=O)=O)on1 ZINC000309385658 385558920 /nfs/dbraw/zinc/55/89/20/385558920.db2.gz SRMUIONKGSQTFU-VIFPVBQESA-N 0 3 246.332 0.548 20 0 BCADHN C[C@H](C[S@@](C)=O)NC(=O)[C@@H]1CCN(C)[C@@H]1C ZINC000592787290 385577609 /nfs/dbraw/zinc/57/76/09/385577609.db2.gz LMJFFUWAMYVDLP-DTKCRYMLSA-N 0 3 246.376 0.210 20 0 BCADHN C[C@H](N[C@H]1CN(C)C[C@H]1C)C(=O)NCCF ZINC000309397166 385562816 /nfs/dbraw/zinc/56/28/16/385562816.db2.gz GTBUIJFOTGQBBM-UTLUCORTSA-N 0 3 231.315 0.000 20 0 BCADHN CC[C@@H](N)C(=O)N(C[C@@H](C)OC)C(C)C ZINC000309402543 385571440 /nfs/dbraw/zinc/57/14/40/385571440.db2.gz HPQJXCSKIGJWIZ-NXEZZACHSA-N 0 3 216.325 0.996 20 0 BCADHN COC[C@H](O)CN[C@@H](COC)c1ccccc1 ZINC000181686359 385593820 /nfs/dbraw/zinc/59/38/20/385593820.db2.gz MMFBSFPFFWBAOI-OLZOCXBDSA-N 0 3 239.315 0.971 20 0 BCADHN CN[C@@H](C)C(=O)N1CCN(CC(C)C)CC1 ZINC000054075432 385594092 /nfs/dbraw/zinc/59/40/92/385594092.db2.gz PTIGUDVBCFPXCP-NSHDSACASA-N 0 3 227.352 0.395 20 0 BCADHN CN[C@@H](C)C(=O)N(C)Cc1cccc(O)c1 ZINC000054075501 385594226 /nfs/dbraw/zinc/59/42/26/385594226.db2.gz FOXRTFSMLAUEQO-VIFPVBQESA-N 0 3 222.288 0.959 20 0 BCADHN CC(C)COCCN(C)CCNC(=O)N(C)C ZINC000337318728 385594243 /nfs/dbraw/zinc/59/42/43/385594243.db2.gz NACANHYWURFHSU-UHFFFAOYSA-N 0 3 245.367 0.862 20 0 BCADHN CN[C@@H](C)C(=O)N(C)Cc1cscn1 ZINC000054076703 385594432 /nfs/dbraw/zinc/59/44/32/385594432.db2.gz CAYMPLUCGQZFNG-ZETCQYMHSA-N 0 3 213.306 0.709 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000309465318 385594837 /nfs/dbraw/zinc/59/48/37/385594837.db2.gz PDHRYCBAVVWMJE-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@H](C)N1CCC[C@H]1CS(=O)(=O)NC ZINC000337316931 385595178 /nfs/dbraw/zinc/59/51/78/385595178.db2.gz KYPCMUWXNSSIHL-ZJUUUORDSA-N 0 3 234.365 0.799 20 0 BCADHN CN[C@H](C)C(=O)N[C@H](C)c1cnn(C)c1C ZINC000054072710 385596091 /nfs/dbraw/zinc/59/60/91/385596091.db2.gz VYQGWLCBQYHBON-HTQZYQBOSA-N 0 3 224.308 0.514 20 0 BCADHN CN[C@@H](C)C(=O)N1CCOC(C)(C)C1 ZINC000054072562 385596230 /nfs/dbraw/zinc/59/62/30/385596230.db2.gz LUROGRCSZCZVJV-QMMMGPOBSA-N 0 3 200.282 0.232 20 0 BCADHN CN[C@@H](C)C(=O)N(C)C1CCOCC1 ZINC000054072569 385596391 /nfs/dbraw/zinc/59/63/91/385596391.db2.gz HOHJOTCKFMZIKF-QMMMGPOBSA-N 0 3 200.282 0.232 20 0 BCADHN CCC1(C(=O)NC[C@@](C)(O)CN(C)C)CC1 ZINC000336649425 385598739 /nfs/dbraw/zinc/59/87/39/385598739.db2.gz GXYAWJYNSCHQKN-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CCN(C)CCNC(=O)c1ccc(C(N)=O)o1 ZINC000269498282 385599210 /nfs/dbraw/zinc/59/92/10/385599210.db2.gz QCRFFWJMHDBZRH-UHFFFAOYSA-N 0 3 239.275 0.060 20 0 BCADHN CCN(CCOC)CCN1CCO[C@@H](C)C1 ZINC000337332450 385600512 /nfs/dbraw/zinc/60/05/12/385600512.db2.gz JTJXEFBTONMFMM-LBPRGKRZSA-N 0 3 230.352 0.675 20 0 BCADHN CC[C@H](C)[C@@H](C)C(=O)N[C@H](CO)CN(C)C ZINC000647710890 385603052 /nfs/dbraw/zinc/60/30/52/385603052.db2.gz TZWIBVCUZORGIT-AXFHLTTASA-N 0 3 230.352 0.707 20 0 BCADHN C[C@@H](O)CCNC(=O)NC1CCN(C)CC1 ZINC000408172176 385604639 /nfs/dbraw/zinc/60/46/39/385604639.db2.gz SVTUFFJZQILIGF-SECBINFHSA-N 0 3 229.324 0.151 20 0 BCADHN C[C@@H]1[C@H](NCc2cnnn2C)CCCN1C ZINC000309443550 385584447 /nfs/dbraw/zinc/58/44/47/385584447.db2.gz KSNQPBLGZPCSCN-MWLCHTKSSA-N 0 3 223.324 0.387 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000052009292 385605835 /nfs/dbraw/zinc/60/58/35/385605835.db2.gz NSKNDJXNWIWCHF-YUMQZZPRSA-N 0 3 200.282 0.143 20 0 BCADHN COC(=O)[C@H]1CCN(C[C@@H](O)COC(C)C)C1 ZINC000107808481 385585536 /nfs/dbraw/zinc/58/55/36/385585536.db2.gz OMNOQBNKUXCBSN-WDEREUQCSA-N 0 3 245.319 0.267 20 0 BCADHN CCC[C@H](C)N1CCN(CC(=O)NCC)CC1 ZINC000337294479 385587392 /nfs/dbraw/zinc/58/73/92/385587392.db2.gz HYUSAHOESNWEHJ-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN COC(=O)C(C)(C)CCNC[C@@H](O)C(F)F ZINC000309454851 385588606 /nfs/dbraw/zinc/58/86/06/385588606.db2.gz MCLBVTPTJQSRLN-SSDOTTSWSA-N 0 3 239.262 0.791 20 0 BCADHN C[C@H]1CNCCN1C(=O)[C@@H]1CNCCC1(F)F ZINC000647711454 385613816 /nfs/dbraw/zinc/61/38/16/385613816.db2.gz USFGDSBQEXNYRO-IUCAKERBSA-N 0 3 247.289 0.052 20 0 BCADHN CCOC[C@@H](O)CN[C@H](C)c1ccnn1C ZINC000309495756 385615508 /nfs/dbraw/zinc/61/55/08/385615508.db2.gz ZBAORLIEILJUJO-ZJUUUORDSA-N 0 3 227.308 0.468 20 0 BCADHN COCCCC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644820847 385617124 /nfs/dbraw/zinc/61/71/24/385617124.db2.gz YHAUMXDIPAFKOF-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3cnn(C)c3)[C@@H]2C1 ZINC000644820967 385618180 /nfs/dbraw/zinc/61/81/80/385618180.db2.gz YWPKERRHJCKCDJ-GXSJLCMTSA-N 0 3 234.303 0.196 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc[nH]2)C1 ZINC000644821593 385636515 /nfs/dbraw/zinc/63/65/15/385636515.db2.gz GTCPHSCUPISEGA-ONGXEEELSA-N 0 3 219.288 0.791 20 0 BCADHN CCCCNC(=O)CN(CCO)[C@@H](C)CC ZINC000336650767 385620132 /nfs/dbraw/zinc/62/01/32/385620132.db2.gz HQNHMKZFKRTVGJ-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)Cn1cncn1 ZINC000269658077 385620151 /nfs/dbraw/zinc/62/01/51/385620151.db2.gz KEJZBEIWCUYVOM-UTLUCORTSA-N 0 3 239.323 0.156 20 0 BCADHN Cn1nccc1CNC(=O)C12CCCN1CCC2 ZINC000280979285 385624589 /nfs/dbraw/zinc/62/45/89/385624589.db2.gz PHNUQRDUNHGHNW-UHFFFAOYSA-N 0 3 248.330 0.665 20 0 BCADHN CN(CCNC(=O)N1CCCC1)C1CC1 ZINC000066887924 385624560 /nfs/dbraw/zinc/62/45/60/385624560.db2.gz UWPFQXSNAOYLJP-UHFFFAOYSA-N 0 3 211.309 0.886 20 0 BCADHN COC[C@H](NC(=O)/C=C/CN(C)C)C1CC1 ZINC000269696810 385625420 /nfs/dbraw/zinc/62/54/20/385625420.db2.gz INMGNCBRSPNJHM-ZWNMCFTASA-N 0 3 226.320 0.645 20 0 BCADHN CC[C@@H](O)CNC(=O)N[C@@H]1CCCN(CC)C1 ZINC000645201280 385626336 /nfs/dbraw/zinc/62/63/36/385626336.db2.gz AMHIENFPNIGVIF-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN CN1CCC(NCc2ncccn2)CC1 ZINC000054459155 385629020 /nfs/dbraw/zinc/62/90/20/385629020.db2.gz XFLBHFMBKUCUMF-UHFFFAOYSA-N 0 3 206.293 0.660 20 0 BCADHN CSCCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000334772271 385630921 /nfs/dbraw/zinc/63/09/21/385630921.db2.gz ROOVZDNGABNAEU-VHSXEESVSA-N 0 3 228.361 0.902 20 0 BCADHN CC(C)CO[N-]C(=O)/C=C/C[NH+](C)C ZINC000269733767 385632750 /nfs/dbraw/zinc/63/27/50/385632750.db2.gz WZVGUVMZARUYSG-AATRIKPKSA-N 0 3 200.282 0.808 20 0 BCADHN CC(C)CONC(=O)/C=C/CN(C)C ZINC000269733767 385632757 /nfs/dbraw/zinc/63/27/57/385632757.db2.gz WZVGUVMZARUYSG-AATRIKPKSA-N 0 3 200.282 0.808 20 0 BCADHN Cc1nnccc1C(=O)NC1(CN(C)C)CCC1 ZINC000281102227 385634627 /nfs/dbraw/zinc/63/46/27/385634627.db2.gz QGSMTCXRYMBTKI-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN Cc1nc(CN(C)C(=O)CN(C)C(C)C)no1 ZINC000181817054 385608353 /nfs/dbraw/zinc/60/83/53/385608353.db2.gz MPXITDSBPDSMLJ-UHFFFAOYSA-N 0 3 240.307 0.677 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@@H]2C1 ZINC000644820553 385608566 /nfs/dbraw/zinc/60/85/66/385608566.db2.gz XPIXCAWIOGATKP-SDDRHHMPSA-N 0 3 237.347 0.243 20 0 BCADHN Cn1ccc(CN[C@@H](CO)[C@H]2CCCO2)c1 ZINC000309487811 385610122 /nfs/dbraw/zinc/61/01/22/385610122.db2.gz HFLFLURAXWPZHR-NWDGAFQWSA-N 0 3 224.304 0.655 20 0 BCADHN CN(C)CC1(NC(=O)c2ccon2)CCC1 ZINC000281115401 385636023 /nfs/dbraw/zinc/63/60/23/385636023.db2.gz RSSREOCMFMPJFZ-UHFFFAOYSA-N 0 3 223.276 0.889 20 0 BCADHN CC(C)[C@H]1CN(C[C@@H](C)O)CCN1C ZINC000108349287 385637846 /nfs/dbraw/zinc/63/78/46/385637846.db2.gz MKFDOGYCWLITDH-GHMZBOCLSA-N 0 3 200.326 0.639 20 0 BCADHN CN(CCOCCO)CCc1nccs1 ZINC000269824751 385638481 /nfs/dbraw/zinc/63/84/81/385638481.db2.gz ADZPNDKKMWLQJX-UHFFFAOYSA-N 0 3 230.333 0.626 20 0 BCADHN O=C1CCCN1CCN1CCC[C@H](O)C1 ZINC000303095935 385638516 /nfs/dbraw/zinc/63/85/16/385638516.db2.gz PTMZMZYJEKEKRA-JTQLQIEISA-N 0 3 212.293 0.066 20 0 BCADHN N[C@H](C(=O)N1CCSCC1)C1CCC1 ZINC000307235457 385666243 /nfs/dbraw/zinc/66/62/43/385666243.db2.gz SXAIXRKDLMEPQI-VIFPVBQESA-N 0 3 214.334 0.689 20 0 BCADHN COC[C@@H](C)CNC(=O)C(N)C(F)(F)F ZINC000309506643 385642253 /nfs/dbraw/zinc/64/22/53/385642253.db2.gz WBQHEBJEZKXRQE-NTSWFWBYSA-N 0 3 228.214 0.275 20 0 BCADHN Cn1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000644818005 385645491 /nfs/dbraw/zinc/64/54/91/385645491.db2.gz MBRWTSPEUSFSPD-CMPLNLGQSA-N 0 3 233.315 0.801 20 0 BCADHN Cc1c(CN[C@@H]2CN(C)C[C@H]2C)cnn1C ZINC000309512208 385646533 /nfs/dbraw/zinc/64/65/33/385646533.db2.gz XSLYPYCYLFNENX-BXKDBHETSA-N 0 3 222.336 0.768 20 0 BCADHN CN(CCO)C[C@H](O)CCc1ccccc1 ZINC000182229717 385647448 /nfs/dbraw/zinc/64/74/48/385647448.db2.gz HEPNWLPEPYMEJD-CYBMUJFWSA-N 0 3 223.316 0.904 20 0 BCADHN C[C@@H](N[C@@H](C)c1ncnn1C)[C@@H]1CCOC1 ZINC000309517007 385648557 /nfs/dbraw/zinc/64/85/57/385648557.db2.gz YYOAGBXTXMBFON-KXUCPTDWSA-N 0 3 224.308 0.891 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)N[C@@H]1CC1(C)C ZINC000337405009 385649795 /nfs/dbraw/zinc/64/97/95/385649795.db2.gz LIXVFUVXIWYNAU-SKDRFNHKSA-N 0 3 243.351 0.397 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)N[C@@H]1CC1(C)C ZINC000337405006 385649906 /nfs/dbraw/zinc/64/99/06/385649906.db2.gz LIXVFUVXIWYNAU-BXKDBHETSA-N 0 3 243.351 0.397 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](OC)C1 ZINC000337405418 385650396 /nfs/dbraw/zinc/65/03/96/385650396.db2.gz NGUKDQZZJJFMFX-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)/C=C/C1CC1 ZINC000269927589 385651102 /nfs/dbraw/zinc/65/11/02/385651102.db2.gz RCFVZTZKKFIBNY-SYTKJHMZSA-N 0 3 226.320 0.381 20 0 BCADHN Cc1[nH]ccc1C(=O)NC[C@](C)(O)CN(C)C ZINC000269959348 385652335 /nfs/dbraw/zinc/65/23/35/385652335.db2.gz XMTAWKFUJCIHML-LBPRGKRZSA-N 0 3 239.319 0.366 20 0 BCADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1C[C@H]1CN(C)C(=O)O1 ZINC000495663051 385652863 /nfs/dbraw/zinc/65/28/63/385652863.db2.gz ZKJKLBUEQBZPDF-LMLFDSFASA-N 0 3 242.319 0.671 20 0 BCADHN Cc1nnccc1C(=O)NC[C@H](C)N(C)C ZINC000269975881 385653693 /nfs/dbraw/zinc/65/36/93/385653693.db2.gz NEZRSECDZNSBKR-QMMMGPOBSA-N 0 3 222.292 0.465 20 0 BCADHN Cc1nnccc1C(=O)NC[C@@H](C)N(C)C ZINC000269975879 385654830 /nfs/dbraw/zinc/65/48/30/385654830.db2.gz NEZRSECDZNSBKR-MRVPVSSYSA-N 0 3 222.292 0.465 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)O ZINC000337425815 385655720 /nfs/dbraw/zinc/65/57/20/385655720.db2.gz WULVJGUVVOSURX-NXEZZACHSA-N 0 3 216.325 0.604 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccnn2C)C1 ZINC000644818373 385656025 /nfs/dbraw/zinc/65/60/25/385656025.db2.gz LUSBWYRSBCADKW-ONGXEEELSA-N 0 3 234.303 0.196 20 0 BCADHN CCN(C)CCNC(=O)CCn1cc(C)cn1 ZINC000066948958 385656050 /nfs/dbraw/zinc/65/60/50/385656050.db2.gz FGTSUCOQCREALX-UHFFFAOYSA-N 0 3 238.335 0.650 20 0 BCADHN COc1cncc(CNC[C@](C)(O)CO)c1C ZINC000631126511 385658846 /nfs/dbraw/zinc/65/88/46/385658846.db2.gz SGMNFEKSDNTJAM-LBPRGKRZSA-N 0 3 240.303 0.232 20 0 BCADHN C[C@H](C[S@@](C)=O)NCC1=CCCOC1 ZINC000336652806 385659453 /nfs/dbraw/zinc/65/94/53/385659453.db2.gz KTMUEGPVGURJBZ-YMTOWFKASA-N 0 3 217.334 0.690 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000337437050 385660743 /nfs/dbraw/zinc/66/07/43/385660743.db2.gz BKJLZSIHYAIEGA-RYUDHWBXSA-N 0 3 241.379 0.879 20 0 BCADHN Cc1nc(C(=O)N2CCC[C@@H]2CN(C)C)c[nH]1 ZINC000270036989 385662301 /nfs/dbraw/zinc/66/23/01/385662301.db2.gz CGHSNSBBUCMYED-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN CC(C)CC[C@@H](O)CN(C)C(C)(C)C(N)=O ZINC000451136309 385662473 /nfs/dbraw/zinc/66/24/73/385662473.db2.gz PIBKEXJAKASXOS-SNVBAGLBSA-N 0 3 230.352 0.979 20 0 BCADHN CC[C@H](OC)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644824715 385663695 /nfs/dbraw/zinc/66/36/95/385663695.db2.gz ZCTPWTPPVQDEMV-MXWKQRLJSA-N 0 3 226.320 0.574 20 0 BCADHN CNC(=O)[C@H]1CCCN([C@H](C)c2cnccn2)C1 ZINC000184545700 385673778 /nfs/dbraw/zinc/67/37/78/385673778.db2.gz KJXMZSFEVHQCLG-MNOVXSKESA-N 0 3 248.330 0.996 20 0 BCADHN CC[C@@H](COC)NC(=O)[C@@]1(F)CCNC1 ZINC000309537120 385676306 /nfs/dbraw/zinc/67/63/06/385676306.db2.gz XHZLTHLCVUSLHQ-WCBMZHEXSA-N 0 3 218.272 0.229 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@@H](n2cncn2)C1 ZINC000366602372 385676715 /nfs/dbraw/zinc/67/67/15/385676715.db2.gz NHBTUMMNZROPPJ-MNOVXSKESA-N 0 3 224.308 0.542 20 0 BCADHN CC[C@H]1CN(C(=O)CN(CC)CC)C[C@@H]1O ZINC000337479298 385679457 /nfs/dbraw/zinc/67/94/57/385679457.db2.gz VSWFXSASWCBFMI-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H]1CN(CCN2C(=O)CCC2=O)[C@@H]1C ZINC000645218163 385680049 /nfs/dbraw/zinc/68/00/49/385680049.db2.gz PBDINHYAHOKALQ-RKDXNWHRSA-N 0 3 210.277 0.476 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@]2(F)CCNC2)[C@H]1C ZINC000309542454 385683225 /nfs/dbraw/zinc/68/32/25/385683225.db2.gz YSNIRFXRMQPPGR-YWVKMMECSA-N 0 3 214.284 0.945 20 0 BCADHN C[C@H](NCC(=O)NCC(F)F)[C@H]1CCCO1 ZINC000309552295 385683894 /nfs/dbraw/zinc/68/38/94/385683894.db2.gz IQBZSKCTMIZFCU-JGVFFNPUSA-N 0 3 236.262 0.525 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)c3cnco3)[C@@H]2C1 ZINC000644826749 385685158 /nfs/dbraw/zinc/68/51/58/385685158.db2.gz SFYZOJQHJQENOD-VHSXEESVSA-N 0 3 235.287 0.841 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)Nc1ccncc1 ZINC000645242636 385718843 /nfs/dbraw/zinc/71/88/43/385718843.db2.gz WTCLAMVREDSVAV-SECBINFHSA-N 0 3 205.261 0.440 20 0 BCADHN CC[C@H](N)C(=O)NCC(C)(C)C[C@H](C)O ZINC000336734789 385689572 /nfs/dbraw/zinc/68/95/72/385689572.db2.gz HQKHSWXCWAGSBD-IUCAKERBSA-N 0 3 216.325 0.637 20 0 BCADHN COC[C@H](C)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000309561121 385691186 /nfs/dbraw/zinc/69/11/86/385691186.db2.gz LCBDFWRGSKBANV-LMLFDSFASA-N 0 3 226.320 0.620 20 0 BCADHN CN(C)CCn1cc(NC(=O)C2CC2)ccc1=O ZINC000270285239 385693710 /nfs/dbraw/zinc/69/37/10/385693710.db2.gz WBCVWBHPKDLCEB-UHFFFAOYSA-N 0 3 249.314 0.758 20 0 BCADHN C[C@@H](NC(=O)/C=C/CN(C)C)[C@H](C)CO ZINC000270336545 385698773 /nfs/dbraw/zinc/69/87/73/385698773.db2.gz TXFGMDKAYNFEFM-GMCFVEKCSA-N 0 3 214.309 0.237 20 0 BCADHN CC[C@@]1(CO)CCCN1C[C@H]1CN(C)C(=O)O1 ZINC000495732705 385702672 /nfs/dbraw/zinc/70/26/72/385702672.db2.gz XOWGYCVQDKIKFR-PWSUYJOCSA-N 0 3 242.319 0.674 20 0 BCADHN Cc1ccsc1[C@H](CO)N[C@@H](C)CC(N)=O ZINC000336735584 385705750 /nfs/dbraw/zinc/70/57/50/385705750.db2.gz IBSBVTPWZXQKQM-IUCAKERBSA-N 0 3 242.344 0.943 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H]1CCCC(=O)N1 ZINC000337554475 385706270 /nfs/dbraw/zinc/70/62/70/385706270.db2.gz IOPXLBFBVXQIDQ-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN Cc1ccc(O)c(CN(C)CCCO)n1 ZINC000281842594 385707814 /nfs/dbraw/zinc/70/78/14/385707814.db2.gz TUAMWRBPLFTGOL-UHFFFAOYSA-N 0 3 210.277 0.910 20 0 BCADHN CCN(CC)CC(=O)NCCOC(F)(F)F ZINC000337562825 385709933 /nfs/dbraw/zinc/70/99/33/385709933.db2.gz ODUOFMDDNSJCGF-UHFFFAOYSA-N 0 3 242.241 0.981 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1cccc(CO)c1 ZINC000270483955 385712004 /nfs/dbraw/zinc/71/20/04/385712004.db2.gz LGATZISBWMFSAI-MFKMUULPSA-N 0 3 239.315 0.837 20 0 BCADHN CCN(CC)CC(=O)N1CCOC[C@@H]1C ZINC000337576589 385713161 /nfs/dbraw/zinc/71/31/61/385713161.db2.gz XDBWSFNMPQAEQN-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN Cn1cc(CCN2CCC(C)(O)CC2)cn1 ZINC000230151942 385713557 /nfs/dbraw/zinc/71/35/57/385713557.db2.gz JLEGGIHWJJMXPI-UHFFFAOYSA-N 0 3 223.320 0.809 20 0 BCADHN CN1CCC(NC(=O)NC[C@H]2CCOC2)CC1 ZINC000337580396 385714101 /nfs/dbraw/zinc/71/41/01/385714101.db2.gz IMYAHVHGUJZRJP-SNVBAGLBSA-N 0 3 241.335 0.416 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCOC[C@H]1C ZINC000337580540 385714403 /nfs/dbraw/zinc/71/44/03/385714403.db2.gz BNOLXNUYTZLNON-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)N(C)C ZINC000230175176 385714976 /nfs/dbraw/zinc/71/49/76/385714976.db2.gz GVBPETDPIFBZAJ-QMMMGPOBSA-N 0 3 223.276 0.055 20 0 BCADHN CC(C)(C)N(CCCn1ccnc1)CC(N)=O ZINC000182868591 385715174 /nfs/dbraw/zinc/71/51/74/385715174.db2.gz DLWKGFILSVHCAC-UHFFFAOYSA-N 0 3 238.335 0.859 20 0 BCADHN CN1CCC(NC(=O)NC[C@@H]2CCOC2)CC1 ZINC000337580395 385715597 /nfs/dbraw/zinc/71/55/97/385715597.db2.gz IMYAHVHGUJZRJP-JTQLQIEISA-N 0 3 241.335 0.416 20 0 BCADHN CC1(CNc2nc(N)nc(N)n2)CCCCC1 ZINC000624033077 385716088 /nfs/dbraw/zinc/71/60/88/385716088.db2.gz URXPRZGWJZLLHS-UHFFFAOYSA-N 0 3 236.323 0.501 20 0 BCADHN CC(C)(C)[C@H](O)C[C@H](CO)N[C@H]1CCOC1 ZINC000336653671 385716247 /nfs/dbraw/zinc/71/62/47/385716247.db2.gz GGGRKYAVCXIPJR-HBNTYKKESA-N 0 3 231.336 0.523 20 0 BCADHN C[C@@](O)(CO)CNCc1ccc(C(F)F)nc1 ZINC000631126701 385666768 /nfs/dbraw/zinc/66/67/68/385666768.db2.gz UHSRHUJYXZSWFB-NSHDSACASA-N 0 3 246.257 0.852 20 0 BCADHN Cc1nnsc1CNC[C@@]1(O)CCSC1 ZINC000647911848 385668055 /nfs/dbraw/zinc/66/80/55/385668055.db2.gz MBZXCNKPNXNQLG-VIFPVBQESA-N 0 3 245.373 0.804 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccc(=O)[nH]c3)[C@@H]2C1 ZINC000644819409 385670323 /nfs/dbraw/zinc/67/03/23/385670323.db2.gz RORBOZQCVFGKAJ-GHMZBOCLSA-N 0 3 247.298 0.563 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@H]1CCO ZINC000337610793 385727603 /nfs/dbraw/zinc/72/76/03/385727603.db2.gz WCZGGAXNACTJEU-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN CC(=O)NCCCN[C@H](C)c1cc(C)n(C)n1 ZINC000282052463 385727695 /nfs/dbraw/zinc/72/76/95/385727695.db2.gz GKOGITILELMNOA-SNVBAGLBSA-N 0 3 238.335 0.905 20 0 BCADHN C/C=C\C[C@@H](CO)NC(=O)CN(CC)CC ZINC000337607452 385728183 /nfs/dbraw/zinc/72/81/83/385728183.db2.gz SDJJNRWIMPDMAF-IBHLPDHGSA-N 0 3 228.336 0.772 20 0 BCADHN COC(=O)C(C)(C)N(C)C(=O)/C=C\CN(C)C ZINC000493679265 533145524 /nfs/dbraw/zinc/14/55/24/533145524.db2.gz ADHLFKLOQMZQAC-FPLPWBNLSA-N 0 3 242.319 0.514 20 0 BCADHN CN(C)CCOc1cc(C(=O)N2CCC2)ccn1 ZINC000183089503 385734422 /nfs/dbraw/zinc/73/44/22/385734422.db2.gz CCOMGKDEKPAORH-UHFFFAOYSA-N 0 3 249.314 0.868 20 0 BCADHN CCS(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000129195040 385736857 /nfs/dbraw/zinc/73/68/57/385736857.db2.gz AJPDAJIGQOGBCK-GHMZBOCLSA-N 0 3 246.376 0.752 20 0 BCADHN C/C=C/C[C@H](CO)NCc1ccnn1C ZINC000185827714 385741532 /nfs/dbraw/zinc/74/15/32/385741532.db2.gz IJEDJESBSVGHCM-HMDXOVGESA-N 0 3 209.293 0.837 20 0 BCADHN CCC[C@@H]1CCCCN1CC(=O)NC(N)=O ZINC000185865454 385742186 /nfs/dbraw/zinc/74/21/86/385742186.db2.gz TUDDYIHTBRWOON-SECBINFHSA-N 0 3 227.308 0.836 20 0 BCADHN CN(CCC1(O)CCC1)[C@@]1(CO)CCOC1 ZINC000408462753 385748424 /nfs/dbraw/zinc/74/84/24/385748424.db2.gz ANTCVEJFOXUMKD-LLVKDONJSA-N 0 3 229.320 0.375 20 0 BCADHN CC(C)(CC(N)=O)NCC(=O)NC1CCCC1 ZINC000186220714 385748935 /nfs/dbraw/zinc/74/89/35/385748935.db2.gz BXXVSMYZFBYGSY-UHFFFAOYSA-N 0 3 241.335 0.289 20 0 BCADHN Cn1nccc1NC(=O)[C@@]1(F)CCNC1 ZINC000309618269 385749238 /nfs/dbraw/zinc/74/92/38/385749238.db2.gz FYCSJHZZIGVYQP-SECBINFHSA-N 0 3 212.228 0.060 20 0 BCADHN CN(C)CCSCC(=O)NC1CC1 ZINC000308252895 385751749 /nfs/dbraw/zinc/75/17/49/385751749.db2.gz GVAGOALOAKBLQD-UHFFFAOYSA-N 0 3 202.323 0.560 20 0 BCADHN C[C@H](c1ccccc1)[C@H](C)NCC(=O)NC(N)=O ZINC000183360530 385756476 /nfs/dbraw/zinc/75/64/76/385756476.db2.gz BHZJLHJZEXSEDQ-UWVGGRQHSA-N 0 3 249.314 0.963 20 0 BCADHN CCc1nc(CN2CC[C@H](CO)[C@H]2CC)n[nH]1 ZINC000451257923 385757442 /nfs/dbraw/zinc/75/74/42/385757442.db2.gz QOODPFLZBGFGSE-NXEZZACHSA-N 0 3 238.335 0.960 20 0 BCADHN CCOCC[C@H](O)CN[C@@](C)(CC)C(N)=O ZINC000309630411 385758397 /nfs/dbraw/zinc/75/83/97/385758397.db2.gz HPQXXMJPXNKOTJ-ONGXEEELSA-N 0 3 232.324 0.018 20 0 BCADHN CCOCC[C@@H](O)CN[C@@](C)(CC)C(N)=O ZINC000309630409 385758508 /nfs/dbraw/zinc/75/85/08/385758508.db2.gz HPQXXMJPXNKOTJ-KOLCDFICSA-N 0 3 232.324 0.018 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)CCO1 ZINC000647915790 385777620 /nfs/dbraw/zinc/77/76/20/385777620.db2.gz UKHOHDBGSVVFKD-BDAKNGLRSA-N 0 3 248.273 0.479 20 0 BCADHN CCOc1ccc(CNC(CO)CO)cc1F ZINC000258754878 385779918 /nfs/dbraw/zinc/77/99/18/385779918.db2.gz OWPYAGNFGYKJOL-UHFFFAOYSA-N 0 3 243.278 0.667 20 0 BCADHN C[S@@](=O)C1(CNCc2cncnc2)CCC1 ZINC000336704197 385782354 /nfs/dbraw/zinc/78/23/54/385782354.db2.gz OYACPPFSCZWPFG-MRXNPFEDSA-N 0 3 239.344 0.867 20 0 BCADHN COC[C@@](C)(CC(=O)OC)NC[C@@H](C)OC ZINC000309591546 385719925 /nfs/dbraw/zinc/71/99/25/385719925.db2.gz UXJUJQXCPQMRNU-MWLCHTKSSA-N 0 3 233.308 0.579 20 0 BCADHN Cn1ccc(CNC[C@H](O)c2cnn(C)c2)c1 ZINC000270597659 385721840 /nfs/dbraw/zinc/72/18/40/385721840.db2.gz DZESVWCXBVEYDI-LBPRGKRZSA-N 0 3 234.303 0.582 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC(C)(OC)CC1 ZINC000336690849 385724259 /nfs/dbraw/zinc/72/42/59/385724259.db2.gz HJFGSJDJNBRCOB-LBPRGKRZSA-N 0 3 245.319 0.411 20 0 BCADHN CN(C)CCNC(=O)NCc1ccc(O)cc1 ZINC000270634468 385725373 /nfs/dbraw/zinc/72/53/73/385725373.db2.gz HPIAXOLIUWBUSP-UHFFFAOYSA-N 0 3 237.303 0.753 20 0 BCADHN C[C@@H](Cn1cccn1)NC(=O)NCCN(C)C ZINC000270653527 385727095 /nfs/dbraw/zinc/72/70/95/385727095.db2.gz MJJWAPGUXCNCCP-JTQLQIEISA-N 0 3 239.323 0.132 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@@H](C)CC(=O)OCC ZINC000602517339 385798448 /nfs/dbraw/zinc/79/84/48/385798448.db2.gz YVZOOPYXVPVMHG-UWVGGRQHSA-N 0 3 244.335 0.690 20 0 BCADHN Cc1c[nH]nc1CNC[C@@]1(O)CCSC1 ZINC000283863520 385800530 /nfs/dbraw/zinc/80/05/30/385800530.db2.gz DYBASCUBNXESQL-JTQLQIEISA-N 0 3 227.333 0.676 20 0 BCADHN CCN(CCCO)Cc1cn(C)nc1C ZINC000271220504 385805648 /nfs/dbraw/zinc/80/56/48/385805648.db2.gz YVXYBVGCRFNRHN-UHFFFAOYSA-N 0 3 211.309 0.933 20 0 BCADHN COC(=O)C1CCN(CC[C@@H](C)O)CC1 ZINC000122811540 385806954 /nfs/dbraw/zinc/80/69/54/385806954.db2.gz ZGXMEGUEVLKNFO-SECBINFHSA-N 0 3 215.293 0.642 20 0 BCADHN C[C@@H](O)CN(CCc1ccnn1C)[C@@H](C)CO ZINC000283092038 385807051 /nfs/dbraw/zinc/80/70/51/385807051.db2.gz LMSXYQOOWPBHSX-WDEREUQCSA-N 0 3 241.335 0.026 20 0 BCADHN C[C@H](Cn1cccn1)NCc1c[nH]nn1 ZINC000283966453 385812948 /nfs/dbraw/zinc/81/29/48/385812948.db2.gz LUWXLAQVOWLLFX-MRVPVSSYSA-N 0 3 206.253 0.180 20 0 BCADHN Cc1nc[nH]c1CNC(=O)C12CCCN1CCC2 ZINC000283338091 385816080 /nfs/dbraw/zinc/81/60/80/385816080.db2.gz HPZBEJVNTZPKGW-UHFFFAOYSA-N 0 3 248.330 0.963 20 0 BCADHN C[C@H](C(=O)N[C@H]1C[C@@H](O)C1)N1CCCCCC1 ZINC000408473233 385819638 /nfs/dbraw/zinc/81/96/38/385819638.db2.gz ZPPBACOTTKJKQR-UTUOFQBUSA-N 0 3 240.347 0.890 20 0 BCADHN CC[C@@H](CN1CCNC(=O)CC1)OC ZINC000412980956 385819688 /nfs/dbraw/zinc/81/96/88/385819688.db2.gz YZZAQCWVYNKPHQ-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CC[C@@H]1CN(Cc2ccnn2C)C[C@@H]1O ZINC000271404900 385825696 /nfs/dbraw/zinc/82/56/96/385825696.db2.gz WKJCPXKWRHOHTK-KOLCDFICSA-N 0 3 209.293 0.623 20 0 BCADHN O=C(NCCNc1ccncc1)[C@H]1CC12CC2 ZINC000643369529 385828521 /nfs/dbraw/zinc/82/85/21/385828521.db2.gz TWMBPSSMYDMBHC-LLVKDONJSA-N 0 3 231.299 0.832 20 0 BCADHN O=C(NCCNc1ccncc1)[C@@H]1CC12CC2 ZINC000643369530 385828718 /nfs/dbraw/zinc/82/87/18/385828718.db2.gz TWMBPSSMYDMBHC-NSHDSACASA-N 0 3 231.299 0.832 20 0 BCADHN CSCCN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187416357 385832012 /nfs/dbraw/zinc/83/20/12/385832012.db2.gz VYFRNSPXVYORLD-BDAKNGLRSA-N 0 3 216.350 0.935 20 0 BCADHN C[C@H](CC(N)=O)NCCOc1ncccc1F ZINC000271486708 385832682 /nfs/dbraw/zinc/83/26/82/385832682.db2.gz JQZQHXORXCGNJX-MRVPVSSYSA-N 0 3 241.266 0.453 20 0 BCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)CO ZINC000294285941 385833060 /nfs/dbraw/zinc/83/30/60/385833060.db2.gz BTCKSWFMFMSQGA-GFCCVEGCSA-N 0 3 236.315 0.268 20 0 BCADHN CN1CC=C(CNC(=O)c2cnns2)CC1 ZINC000271907456 385858296 /nfs/dbraw/zinc/85/82/96/385858296.db2.gz QYLZFIQJKIMZJL-UHFFFAOYSA-N 0 3 238.316 0.530 20 0 BCADHN CCC[C@H](N)C(=O)N(C)CCCn1ccnc1 ZINC000262159387 385837473 /nfs/dbraw/zinc/83/74/73/385837473.db2.gz ULYIWLWYMJYRSE-NSHDSACASA-N 0 3 238.335 0.859 20 0 BCADHN C[C@H](NCc1cnn(C)c1)C(C)(C)n1cncn1 ZINC000283916423 385838266 /nfs/dbraw/zinc/83/82/66/385838266.db2.gz DNQOTRVHFKTXCQ-JTQLQIEISA-N 0 3 248.334 0.925 20 0 BCADHN C[C@H]1C[C@H](NC(=O)NCCN(C)C)CS1 ZINC000413677360 385858367 /nfs/dbraw/zinc/85/83/67/385858367.db2.gz JENQLNFFCAKNIQ-IUCAKERBSA-N 0 3 231.365 0.741 20 0 BCADHN CCCCN(C)CCNC(=O)c1cn[nH]c1 ZINC000112310615 385839702 /nfs/dbraw/zinc/83/97/02/385839702.db2.gz XVZFIEIOKLRJTO-UHFFFAOYSA-N 0 3 224.308 0.871 20 0 BCADHN O[C@@H]1C[C@H](O)CN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000643373312 385841189 /nfs/dbraw/zinc/84/11/89/385841189.db2.gz BRTAGMWIAMTGFT-XJFOESAGSA-N 0 3 233.311 0.970 20 0 BCADHN CC(C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000058611412 385842324 /nfs/dbraw/zinc/84/23/24/385842324.db2.gz UCIKTXUNCNJEBV-LURJTMIESA-N 0 3 207.295 0.334 20 0 BCADHN CO[C@@H]1C[C@H](NCC(=O)N2CCC2)C1(C)C ZINC000451512717 385843173 /nfs/dbraw/zinc/84/31/73/385843173.db2.gz XUWRZUGGSWPTMA-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN CS[C@H]1CN(c2cnccn2)C[C@@H]1N(C)C ZINC000271653362 385843600 /nfs/dbraw/zinc/84/36/00/385843600.db2.gz SOYQPTWKFBBYRX-UWVGGRQHSA-N 0 3 238.360 0.958 20 0 BCADHN CCN[C@H](C)C(=O)N(C)Cc1cc[nH]n1 ZINC000638114318 385848627 /nfs/dbraw/zinc/84/86/27/385848627.db2.gz YQXPXTHCURKFRB-MRVPVSSYSA-N 0 3 210.281 0.366 20 0 BCADHN CC(C)N1CCC(N2CCNC2=O)CC1 ZINC000121507368 385848755 /nfs/dbraw/zinc/84/87/55/385848755.db2.gz DBXFOIZTPOCUFY-UHFFFAOYSA-N 0 3 211.309 0.884 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H]1CO)N(C)C ZINC000413651302 385848979 /nfs/dbraw/zinc/84/89/79/385848979.db2.gz XMWYEJRXKVMNCZ-VHSXEESVSA-N 0 3 214.309 0.310 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)Cc1cc[nH]n1 ZINC000638114319 385849303 /nfs/dbraw/zinc/84/93/03/385849303.db2.gz YQXPXTHCURKFRB-QMMMGPOBSA-N 0 3 210.281 0.366 20 0 BCADHN C[C@@H](CNC(=O)c1cnn(C)n1)N(C)C1CC1 ZINC000284120047 385852543 /nfs/dbraw/zinc/85/25/43/385852543.db2.gz VKNRPHZRXYOFAK-QMMMGPOBSA-N 0 3 237.307 0.028 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H](CO)CC1CCC1 ZINC000336741297 385855199 /nfs/dbraw/zinc/85/51/99/385855199.db2.gz NCJYHPBKWCKDAG-KOLCDFICSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@H](O)CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000163738317 385789343 /nfs/dbraw/zinc/78/93/43/385789343.db2.gz PVVHJBBMCPYSAL-SDDRHHMPSA-N 0 3 212.337 0.926 20 0 BCADHN CN(C)c1ccccc1CNC[C@@H](O)CO ZINC000309679340 385792616 /nfs/dbraw/zinc/79/26/16/385792616.db2.gz YZNLJSOUKHJNKB-LLVKDONJSA-N 0 3 224.304 0.195 20 0 BCADHN Cc1nnc(NC(=O)[C@H](N)CC(F)F)s1 ZINC000336706840 385794444 /nfs/dbraw/zinc/79/44/44/385794444.db2.gz ROBCWQYAYSCJIG-SCSAIBSYSA-N 0 3 236.247 0.768 20 0 BCADHN Cc1cnc(CNC[C@H](CO)C2CC2)n1C ZINC000309691386 385794778 /nfs/dbraw/zinc/79/47/78/385794778.db2.gz JNBJXJHEZWKSFR-LLVKDONJSA-N 0 3 223.320 0.837 20 0 BCADHN CC(C)CCCN1CC[C@H](S(N)(=O)=O)C1 ZINC000408382219 385795833 /nfs/dbraw/zinc/79/58/33/385795833.db2.gz PZPCIVOOVCAVBJ-JTQLQIEISA-N 0 3 234.365 0.785 20 0 BCADHN CC[C@H]1CCN1CCC(=O)NC(=O)NC ZINC000408382191 385795845 /nfs/dbraw/zinc/79/58/45/385795845.db2.gz PURKLHBQOZQQCJ-QMMMGPOBSA-N 0 3 213.281 0.316 20 0 BCADHN CC[C@H](O)CCCN[C@H]1CCCS(=O)(=O)C1 ZINC000309697077 385796684 /nfs/dbraw/zinc/79/66/84/385796684.db2.gz LIDWXZJQOBHFOQ-QWRGUYRKSA-N 0 3 249.376 0.704 20 0 BCADHN CC[C@H](O)CCCN[C@@H]1CCCS(=O)(=O)C1 ZINC000309697073 385797120 /nfs/dbraw/zinc/79/71/20/385797120.db2.gz LIDWXZJQOBHFOQ-MNOVXSKESA-N 0 3 249.376 0.704 20 0 BCADHN CCN(CCO)CCc1cnn(CC)c1 ZINC000284816501 385886550 /nfs/dbraw/zinc/88/65/50/385886550.db2.gz AGFNNMITSRFHIG-UHFFFAOYSA-N 0 3 211.309 0.760 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@H](C)C(C)(C)O)N(C)C ZINC000413833515 385886879 /nfs/dbraw/zinc/88/68/79/385886879.db2.gz OBEWJDRAXNBVHA-ZJUUUORDSA-N 0 3 230.352 0.944 20 0 BCADHN Cc1cnn(CCNC(=O)[C@H](N)C(C)C)c1 ZINC000232696403 385887938 /nfs/dbraw/zinc/88/79/38/385887938.db2.gz CBTSQPCOQVNQCY-SNVBAGLBSA-N 0 3 224.308 0.291 20 0 BCADHN CC[C@H](C(=O)N(C)[C@H](C)C(C)(C)O)N(C)C ZINC000413833510 385887984 /nfs/dbraw/zinc/88/79/84/385887984.db2.gz OBEWJDRAXNBVHA-NXEZZACHSA-N 0 3 230.352 0.944 20 0 BCADHN Cc1cnn(C)c1CN1C[C@@H](O)C[C@H]1C ZINC000335806922 385890244 /nfs/dbraw/zinc/89/02/44/385890244.db2.gz WVVOXOVVJQSHIX-ZJUUUORDSA-N 0 3 209.293 0.684 20 0 BCADHN CC[C@H](C(=O)N[C@H](CC)C(C)(C)O)N(C)C ZINC000413816255 385891162 /nfs/dbraw/zinc/89/11/62/385891162.db2.gz JBVUAWLHCBMZKU-NXEZZACHSA-N 0 3 230.352 0.992 20 0 BCADHN Cc1cc2c[nH]nc2c(C(=O)N2CCNCC2)c1 ZINC000272397919 385899767 /nfs/dbraw/zinc/89/97/67/385899767.db2.gz ZAXZPXTUUVMOOJ-UHFFFAOYSA-N 0 3 244.298 0.917 20 0 BCADHN Cc1nc(N)nc(N[C@@H](C)CN(C)C)n1 ZINC000308862722 385902827 /nfs/dbraw/zinc/90/28/27/385902827.db2.gz KDFYSMZFGJCECW-LURJTMIESA-N 0 3 210.285 0.124 20 0 BCADHN CSCCN1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355098279 385903360 /nfs/dbraw/zinc/90/33/60/385903360.db2.gz MDLSDRLUHBBCFZ-SNVBAGLBSA-N 0 3 243.376 0.885 20 0 BCADHN CCNC(=O)CNCC1(COC)CCC1 ZINC000308881216 385905156 /nfs/dbraw/zinc/90/51/56/385905156.db2.gz DAEUSNOTWCZJSL-UHFFFAOYSA-N 0 3 214.309 0.529 20 0 BCADHN CC[C@@H](C(=O)NC(C)(C)CN(C)C)C(=O)OC ZINC000413868866 385908071 /nfs/dbraw/zinc/90/80/71/385908071.db2.gz WXMSMIRUFRXGBU-VIFPVBQESA-N 0 3 244.335 0.642 20 0 BCADHN CN(C)c1ncc(CN[C@H]2C[C@@H](O)C2)s1 ZINC000294903928 385911526 /nfs/dbraw/zinc/91/15/26/385911526.db2.gz RSAMGODBLJEPGS-OCAPTIKFSA-N 0 3 227.333 0.822 20 0 BCADHN CS[C@@H](C)CNC(=O)C1(N)CCC1 ZINC000122357011 385912919 /nfs/dbraw/zinc/91/29/19/385912919.db2.gz MMSPTQDLCCPBDU-ZETCQYMHSA-N 0 3 202.323 0.736 20 0 BCADHN C[C@H](CO)NCc1cnc(-c2cnn(C)c2)nc1 ZINC000354182950 385919384 /nfs/dbraw/zinc/91/93/84/385919384.db2.gz VFOFTNTUWMUKIW-SECBINFHSA-N 0 3 247.302 0.348 20 0 BCADHN CC(C)COC[C@@H](O)CN1CCOC[C@H](C)C1 ZINC000338250659 385927350 /nfs/dbraw/zinc/92/73/50/385927350.db2.gz HIGCBDXDCITQJK-OLZOCXBDSA-N 0 3 245.363 0.988 20 0 BCADHN CN(CCO)Cc1c[nH]c2nccnc12 ZINC000284284187 385859594 /nfs/dbraw/zinc/85/95/94/385859594.db2.gz TYBICKASHBJVCR-UHFFFAOYSA-N 0 3 206.249 0.382 20 0 BCADHN CN(CCc1ccnn1C)[C@H]1CCOC1 ZINC000284307725 385861223 /nfs/dbraw/zinc/86/12/23/385861223.db2.gz HBKLDAHDNRXGFG-NSHDSACASA-N 0 3 209.293 0.683 20 0 BCADHN CCN(C)CCNC(=O)N(C)C1CCOCC1 ZINC000337957387 385861365 /nfs/dbraw/zinc/86/13/65/385861365.db2.gz ZWIMYLYUYGSFSE-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN CCN(C)CCNC(=O)N1CC[C@H](COC)C1 ZINC000337956749 385861467 /nfs/dbraw/zinc/86/14/67/385861467.db2.gz VTAZCMOTNYBSSU-NSHDSACASA-N 0 3 243.351 0.616 20 0 BCADHN CC(C)NC(=O)CCNC(=O)[C@@H]1NCC1(C)C ZINC000647919406 385863284 /nfs/dbraw/zinc/86/32/84/385863284.db2.gz DHVXKXOLJORKHB-JTQLQIEISA-N 0 3 241.335 0.015 20 0 BCADHN CC[C@H](C(=O)N[C@](C)(CC)CCO)N(C)C ZINC000413698854 385863559 /nfs/dbraw/zinc/86/35/59/385863559.db2.gz QGXVOHPEAHDWAN-ZYHUDNBSSA-N 0 3 230.352 0.994 20 0 BCADHN CCN(CCO)[C@H]1Cc2ccccc2[C@@H]1O ZINC000271998639 385865875 /nfs/dbraw/zinc/86/58/75/385865875.db2.gz RCRFURAETGUABB-STQMWFEESA-N 0 3 221.300 0.959 20 0 BCADHN CN1C[C@H]2CCN(Cc3ccc(CO)o3)[C@@H]2C1 ZINC000644840519 385867889 /nfs/dbraw/zinc/86/78/89/385867889.db2.gz KVUXMGDINCUGBT-ZWNOBZJWSA-N 0 3 236.315 0.908 20 0 BCADHN CSC1(CN[C@@H](C)C(=O)NCCF)CC1 ZINC000336725997 385870258 /nfs/dbraw/zinc/87/02/58/385870258.db2.gz GPUSJNYADRCMMN-QMMMGPOBSA-N 0 3 234.340 0.946 20 0 BCADHN Cc1ccc([C@@H](N)C(=O)N2CCN[C@@H](C)C2)cc1 ZINC000262669632 385872742 /nfs/dbraw/zinc/87/27/42/385872742.db2.gz RBFXCTDNZLFRRS-WCQYABFASA-N 0 3 247.342 0.815 20 0 BCADHN C[C@@H](NC(=O)c1cnn(C)n1)C1=CCN(C)CC1 ZINC000284691662 385882213 /nfs/dbraw/zinc/88/22/13/385882213.db2.gz NSQCMXMGWZIEHK-SECBINFHSA-N 0 3 249.318 0.195 20 0 BCADHN CCN1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000334232068 385975701 /nfs/dbraw/zinc/97/57/01/385975701.db2.gz VMAQLJVNEGNELV-SNVBAGLBSA-N 0 3 234.365 0.610 20 0 BCADHN Cc1cc(NC(=O)[C@@H]2CCCCN2)cn(C)c1=O ZINC000335018663 385977156 /nfs/dbraw/zinc/97/71/56/385977156.db2.gz IPLNOHNCDWGFRT-NSHDSACASA-N 0 3 249.314 0.774 20 0 BCADHN C[C@@]1(CNCc2cncnc2)CCOC1 ZINC000336747645 385978847 /nfs/dbraw/zinc/97/88/47/385978847.db2.gz CPIBYBGWBPRPTK-NSHDSACASA-N 0 3 207.277 0.993 20 0 BCADHN Cc1nc(C)c(CNC[C@@]2(O)CCOC2)o1 ZINC000647925979 385980169 /nfs/dbraw/zinc/98/01/69/385980169.db2.gz KTQKICWPBIOHSY-NSHDSACASA-N 0 3 226.276 0.532 20 0 BCADHN CO[C@@H](CN[C@H](C(N)=O)C(C)(C)C)C1CC1 ZINC000425412802 385980669 /nfs/dbraw/zinc/98/06/69/385980669.db2.gz FZKFHWAWWKZVLK-VHSXEESVSA-N 0 3 228.336 0.901 20 0 BCADHN COC(=O)CCCCC(=O)NC[C@H](C)N(C)C ZINC000338370202 385980895 /nfs/dbraw/zinc/98/08/95/385980895.db2.gz VHZGVUDTPAJHGC-JTQLQIEISA-N 0 3 244.335 0.786 20 0 BCADHN C[C@@H]1C[C@H](CN2C[C@@H]3COC[C@H](C2)O3)CCO1 ZINC000338379034 385983027 /nfs/dbraw/zinc/98/30/27/385983027.db2.gz ZCIYFMRTQGJLGG-LPWJVIDDSA-N 0 3 241.331 0.901 20 0 BCADHN COC(=O)CNC(=O)CN(C)CC1CCC1 ZINC000111696490 385984728 /nfs/dbraw/zinc/98/47/28/385984728.db2.gz BYYZQVKRIQESEZ-UHFFFAOYSA-N 0 3 228.292 0.008 20 0 BCADHN C[C@@H](CN[C@H](C)CS(C)(=O)=O)C[C@H](C)O ZINC000336748381 385985553 /nfs/dbraw/zinc/98/55/53/385985553.db2.gz CLJLNJIUARHWRI-BBBLOLIVSA-N 0 3 237.365 0.416 20 0 BCADHN C[C@H](N[C@H]1CCO[C@H]1C)C1(S(C)(=O)=O)CC1 ZINC000336748366 385986058 /nfs/dbraw/zinc/98/60/58/385986058.db2.gz SREVUZZUHLWTEY-GUBZILKMSA-N 0 3 247.360 0.719 20 0 BCADHN C[C@H](CNC(=O)c1ccc(O)cc1[O-])[NH+](C)C ZINC000221305718 385987804 /nfs/dbraw/zinc/98/78/04/385987804.db2.gz SXMGNYCIKMRYFP-MRVPVSSYSA-N 0 3 238.287 0.778 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@@H](OC)C1CC1 ZINC000425411562 385988471 /nfs/dbraw/zinc/98/84/71/385988471.db2.gz YLDFKMZFTIJPHV-WDEREUQCSA-N 0 3 226.320 0.622 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)C1(CO)CC1 ZINC000617903278 385988543 /nfs/dbraw/zinc/98/85/43/385988543.db2.gz PUTLKXPMVCHBDV-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CN(C)C1CN(c2nnnn2-c2ccccc2)C1 ZINC000273358707 385992240 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CC(=O)N[C@H](C)C1CCN(CCO)CC1 ZINC000408338906 386126025 /nfs/dbraw/zinc/12/60/25/386126025.db2.gz MVKYVHAMJUVVPS-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H](CNC(=O)CCCCC(N)=O)N(C)C ZINC000338754379 386128301 /nfs/dbraw/zinc/12/83/01/386128301.db2.gz LJJDCLWUNTUAIT-VIFPVBQESA-N 0 3 229.324 0.098 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)NCCN1CC[C@H](C)C1 ZINC000525804542 386130150 /nfs/dbraw/zinc/13/01/50/386130150.db2.gz AWGWWAYJYUQIEB-QJPTWQEYSA-N 0 3 240.347 0.869 20 0 BCADHN COc1cc(C(=O)NC[C@@H](C)N(C)C)nn1C ZINC000274632230 386131837 /nfs/dbraw/zinc/13/18/37/386131837.db2.gz WLWXXXGHCQXSAD-MRVPVSSYSA-N 0 3 240.307 0.109 20 0 BCADHN CO[C@H](CN(C)[C@]1(CO)CCOC1)C1CC1 ZINC000425464398 386134750 /nfs/dbraw/zinc/13/47/50/386134750.db2.gz XOXNZMOVUHCYSA-NEPJUHHUSA-N 0 3 229.320 0.495 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@H]1NCc1c[nH]nc1C ZINC000345865248 386135549 /nfs/dbraw/zinc/13/55/49/386135549.db2.gz ZLHQSPOQOHZUBK-GHMZBOCLSA-N 0 3 236.319 0.722 20 0 BCADHN Cc1cc(CNC[C@H]2CCC[C@@H]2O)nn1C ZINC000414354679 386140578 /nfs/dbraw/zinc/14/05/78/386140578.db2.gz AODLXXGTCGWCII-PWSUYJOCSA-N 0 3 223.320 0.979 20 0 BCADHN CC[C@@H](C)N1CCN(Cc2nccc(N)n2)CC1 ZINC000296142712 386143619 /nfs/dbraw/zinc/14/36/19/386143619.db2.gz RXSGCAFDOLPNGN-LLVKDONJSA-N 0 3 249.362 0.975 20 0 BCADHN CCc1cc(=O)[n-]c(CN2CCC[C@@H]([NH3+])C2)n1 ZINC000346092677 386144000 /nfs/dbraw/zinc/14/40/00/386144000.db2.gz MPMMQBZFDHQOKJ-SECBINFHSA-N 0 3 236.319 0.668 20 0 BCADHN C[C@@H](NC(=O)[C@]1(C)CCCCN1)c1ncon1 ZINC000125487593 386259321 /nfs/dbraw/zinc/25/93/21/386259321.db2.gz NOJYYOMFEIQLJH-KCJUWKMLSA-N 0 3 238.291 0.779 20 0 BCADHN CN(C)C1(CNC(=O)c2cn[nH]c2)CC1 ZINC000397845605 386202457 /nfs/dbraw/zinc/20/24/57/386202457.db2.gz IFXOSLDNIAIQES-UHFFFAOYSA-N 0 3 208.265 0.234 20 0 BCADHN CC[C@@H](C(=O)NCCN(C)C)N1CCCC1=O ZINC000130824219 386202832 /nfs/dbraw/zinc/20/28/32/386202832.db2.gz PAEBHUIGFPOVGF-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CCN(CC)CC(=O)N1CC([C@@H]2CCOC2)C1 ZINC000366222420 386204750 /nfs/dbraw/zinc/20/47/50/386204750.db2.gz HTODNBUMBWBTMW-LLVKDONJSA-N 0 3 240.347 0.823 20 0 BCADHN c1n[nH]nc1CN1CCN(CC2CC2)CC1 ZINC000340284086 386207616 /nfs/dbraw/zinc/20/76/16/386207616.db2.gz FLHMVLGZALEFCY-UHFFFAOYSA-N 0 3 221.308 0.332 20 0 BCADHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1nc[nH]n1 ZINC000288518607 386212248 /nfs/dbraw/zinc/21/22/48/386212248.db2.gz TVSUTZGUTSWZCI-ZJUUUORDSA-N 0 3 249.318 0.504 20 0 BCADHN C[C@H](NC(=O)[C@@H](C)[C@H](N)c1ccccc1)C(N)=O ZINC000131670001 386213868 /nfs/dbraw/zinc/21/38/68/386213868.db2.gz ZSLAOFAOVMTPTG-QXEWZRGKSA-N 0 3 249.314 0.313 20 0 BCADHN C[C@@H](CNC(=O)c1ccc2n[nH]nc2n1)N(C)C ZINC000416137830 386218800 /nfs/dbraw/zinc/21/88/00/386218800.db2.gz STLOZZWPGPJFFB-ZETCQYMHSA-N 0 3 248.290 0.033 20 0 BCADHN CCC[C@H](C(=O)N[C@@H](C)CO)N(C)C ZINC000132060861 386220163 /nfs/dbraw/zinc/22/01/63/386220163.db2.gz KDRUCWYUNAYTQB-DTWKUNHWSA-N 0 3 202.298 0.214 20 0 BCADHN CCCCNC(=O)[C@H](C)N1CCCN(C)CC1 ZINC000347034951 386223776 /nfs/dbraw/zinc/22/37/76/386223776.db2.gz PHLSDOBVTMBFSC-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CC(C)[C@H](O)CN1CCCN(C(N)=O)CC1 ZINC000340291652 386225842 /nfs/dbraw/zinc/22/58/42/386225842.db2.gz RKOSPKFRGFJPPF-SNVBAGLBSA-N 0 3 229.324 0.090 20 0 BCADHN CCOCCNC(=O)CC1CCN(C)CC1 ZINC000347038383 386227165 /nfs/dbraw/zinc/22/71/65/386227165.db2.gz KLUJKLDWXYUZDF-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CN1CCC(NC(=O)N2CCO[C@H]3C[C@H]32)CC1 ZINC000366259382 386235747 /nfs/dbraw/zinc/23/57/47/386235747.db2.gz JERNZSJYXRRXSS-MNOVXSKESA-N 0 3 239.319 0.263 20 0 BCADHN CCN(CCCO)CCN1CCCC1=O ZINC000336648471 386260546 /nfs/dbraw/zinc/26/05/46/386260546.db2.gz OSBXELVALQFFEH-UHFFFAOYSA-N 0 3 214.309 0.313 20 0 BCADHN CCN(C)CCNC(=O)N[C@H]1CC[C@H](OC)C1 ZINC000190144085 386238264 /nfs/dbraw/zinc/23/82/64/386238264.db2.gz IYFRTVHHYQEIMM-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN COC[C@H](NCCn1cncn1)[C@H]1CCCO1 ZINC000347079939 386238906 /nfs/dbraw/zinc/23/89/06/386238906.db2.gz IHAVNOSFWSWPHU-WDEREUQCSA-N 0 3 240.307 0.062 20 0 BCADHN CC(C)C[C@H](CNCc1ncnn1C)N(C)C ZINC000638349790 386239609 /nfs/dbraw/zinc/23/96/09/386239609.db2.gz VRTQIAAMRHPNIH-LLVKDONJSA-N 0 3 239.367 0.881 20 0 BCADHN c1[nH]nnc1CCN1CCOC2(CCC2)C1 ZINC000647969824 386240972 /nfs/dbraw/zinc/24/09/72/386240972.db2.gz SZCIJBDKCBYMPI-UHFFFAOYSA-N 0 3 222.292 0.602 20 0 BCADHN CN(C)C1CN(c2nccnc2OC(F)F)C1 ZINC000288934138 386241779 /nfs/dbraw/zinc/24/17/79/386241779.db2.gz QXIDMXFEEOAQPE-UHFFFAOYSA-N 0 3 244.245 0.828 20 0 BCADHN CSCCCN(C)[C@H]1CCNC1=O ZINC000336643965 386242355 /nfs/dbraw/zinc/24/23/55/386242355.db2.gz MALUITIFYUCOCV-QMMMGPOBSA-N 0 3 202.323 0.560 20 0 BCADHN CC[C@H]1CN(CCN2CCNC2=O)CCS1 ZINC000336643843 386242367 /nfs/dbraw/zinc/24/23/67/386242367.db2.gz BLLQKQXWYHHMED-JTQLQIEISA-N 0 3 243.376 0.839 20 0 BCADHN CN(Cc1cnn(C)c1)CC1(C)COC1 ZINC000336643889 386243017 /nfs/dbraw/zinc/24/30/17/386243017.db2.gz DYIRWMARELTALO-UHFFFAOYSA-N 0 3 209.293 0.888 20 0 BCADHN CN(C)C[C@H]1CN([C@@H]2CCOC2)CCO1 ZINC000336642510 386245276 /nfs/dbraw/zinc/24/52/76/386245276.db2.gz AAOIECZBEKZKQZ-MNOVXSKESA-N 0 3 214.309 0.038 20 0 BCADHN CC[C@@H](C)CN(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336644110 386245309 /nfs/dbraw/zinc/24/53/09/386245309.db2.gz BSPMAEOEZZESCN-GHMZBOCLSA-N 0 3 248.392 0.998 20 0 BCADHN CCCNS(=O)(=O)N1CCC[C@H]1CN(C)C ZINC000408362116 386245375 /nfs/dbraw/zinc/24/53/75/386245375.db2.gz LTFMQDDOKASCHF-JTQLQIEISA-N 0 3 249.380 0.257 20 0 BCADHN CN(Cc1cnccn1)C[C@H]1CCOC1 ZINC000336644028 386246258 /nfs/dbraw/zinc/24/62/58/386246258.db2.gz FHQBUGRTJOUOER-SNVBAGLBSA-N 0 3 207.277 0.945 20 0 BCADHN CN(C)C[C@H]1CN([C@H]2CCOC2)CCO1 ZINC000336642511 386246272 /nfs/dbraw/zinc/24/62/72/386246272.db2.gz AAOIECZBEKZKQZ-QWRGUYRKSA-N 0 3 214.309 0.038 20 0 BCADHN CO[C@H](C)CN(C)CCN1CCCC1=O ZINC000336643144 386247286 /nfs/dbraw/zinc/24/72/86/386247286.db2.gz BRONKHPUSUBBFV-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)NC2CCC2)C1 ZINC000125322027 386247775 /nfs/dbraw/zinc/24/77/75/386247775.db2.gz OAJWDYQOXLWBTK-SNVBAGLBSA-N 0 3 211.309 0.884 20 0 BCADHN CC(C)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000336643159 386248979 /nfs/dbraw/zinc/24/89/79/386248979.db2.gz FLWXSJLNEUNRON-VIFPVBQESA-N 0 3 205.323 0.761 20 0 BCADHN CN(CCN1CCOCC1)[C@@H]1CCOC1 ZINC000336642716 386249109 /nfs/dbraw/zinc/24/91/09/386249109.db2.gz ASPMOKLVHMIEKL-LLVKDONJSA-N 0 3 214.309 0.039 20 0 BCADHN C[C@H](CNC(=O)N(C)[C@@H](C)CO)N(C)C1CC1 ZINC000132717944 386249115 /nfs/dbraw/zinc/24/91/15/386249115.db2.gz MLNCCKQCCQOKMD-ZJUUUORDSA-N 0 3 243.351 0.491 20 0 BCADHN COC[C@H](NC(=O)[C@H](N)C(C)C)C1CC1 ZINC000125390623 386249909 /nfs/dbraw/zinc/24/99/09/386249909.db2.gz IQEPOVRIRUAFNB-VHSXEESVSA-N 0 3 214.309 0.511 20 0 BCADHN CCCCN(CCNS(C)(=O)=O)C1CC1 ZINC000336645191 386250354 /nfs/dbraw/zinc/25/03/54/386250354.db2.gz HUKODTUFYHLKCK-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN C[C@@H](O)CCN1CCC[C@H](OCCO)C1 ZINC000336645081 386250434 /nfs/dbraw/zinc/25/04/34/386250434.db2.gz HPFXPGMZFWYYSS-MNOVXSKESA-N 0 3 217.309 0.231 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000416275314 386251282 /nfs/dbraw/zinc/25/12/82/386251282.db2.gz HUVSICHYSYQZAM-GMXVVIOVSA-N 0 3 240.347 0.890 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H](COC)C1CC1 ZINC000125402832 386252004 /nfs/dbraw/zinc/25/20/04/386252004.db2.gz RRBCWYAOAHVXAI-UWVGGRQHSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@@H]1CN(CCOCCO)CCS1 ZINC000125396183 386252019 /nfs/dbraw/zinc/25/20/19/386252019.db2.gz FPFIASYZTPYDKC-SECBINFHSA-N 0 3 205.323 0.433 20 0 BCADHN COCCCNC(=O)[C@H]1CNCCC1(F)F ZINC000647883948 386253176 /nfs/dbraw/zinc/25/31/76/386253176.db2.gz NLRCGRCDIKRYHL-MRVPVSSYSA-N 0 3 236.262 0.384 20 0 BCADHN COCCCCN(C)C(=O)[C@@H]1CCCN1C ZINC000416336487 386261162 /nfs/dbraw/zinc/26/11/62/386261162.db2.gz AKZIMLRYUHHDID-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CO[C@@H]1CCN(CCn2ccnc2C)C1 ZINC000336645807 386253571 /nfs/dbraw/zinc/25/35/71/386253571.db2.gz JACFGTGTNDMNIR-LLVKDONJSA-N 0 3 209.293 0.912 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000416277403 386253719 /nfs/dbraw/zinc/25/37/19/386253719.db2.gz QLHAQYJNFUFMMG-JGZJWPJOSA-N 0 3 214.309 0.358 20 0 BCADHN Cc1cc(CN(C)CCN(C)C)nn1C ZINC000336646624 386253888 /nfs/dbraw/zinc/25/38/88/386253888.db2.gz KVIXKXDHFJHCQM-UHFFFAOYSA-N 0 3 210.325 0.722 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000190574327 386255408 /nfs/dbraw/zinc/25/54/08/386255408.db2.gz UTNLAWYOSYLEPT-UWVGGRQHSA-N 0 3 228.336 0.602 20 0 BCADHN CN(C)C1(CNC(=O)c2cnn(C)c2)CCC1 ZINC000275987551 386256935 /nfs/dbraw/zinc/25/69/35/386256935.db2.gz NHFDEYAIBNNJKZ-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCOCC1(C)C ZINC000264648384 386258199 /nfs/dbraw/zinc/25/81/99/386258199.db2.gz RXKMWRWHVNJHKU-AATRIKPKSA-N 0 3 226.320 0.742 20 0 BCADHN COc1ccncc1CN1C[C@H](C(N)=O)[C@H](C)C1 ZINC000347191424 386258445 /nfs/dbraw/zinc/25/84/45/386258445.db2.gz DOMFYHZOFPXJJR-KOLCDFICSA-N 0 3 249.314 0.643 20 0 BCADHN CC[S@](=O)CC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000346338843 386194928 /nfs/dbraw/zinc/19/49/28/386194928.db2.gz PAMCOZAPMLIOJR-ABKXIKBNSA-N 0 3 246.376 0.354 20 0 BCADHN C[C@H](CNC(=O)c1cnsn1)N(C)C1CC1 ZINC000263962696 386196403 /nfs/dbraw/zinc/19/64/03/386196403.db2.gz YJHFUXZKGPHSHK-SSDOTTSWSA-N 0 3 240.332 0.751 20 0 BCADHN C[C@H](C[NH+](C)C)N=c1ncnc2[nH][n-]cc1-2 ZINC000336662350 386282472 /nfs/dbraw/zinc/28/24/72/386282472.db2.gz DFJJZFZVKYVYTC-SSDOTTSWSA-N 0 3 220.280 0.088 20 0 BCADHN Cc1cc(=O)[nH]cc1C(=O)N(C)CCN(C)C ZINC000133191732 386285993 /nfs/dbraw/zinc/28/59/93/386285993.db2.gz OLVANJVXZCGLLK-UHFFFAOYSA-N 0 3 237.303 0.317 20 0 BCADHN CSCC[C@@H](N[C@H]1CCOC1)C(=O)N(C)C ZINC000336665196 386288335 /nfs/dbraw/zinc/28/83/35/386288335.db2.gz DYGYTYGWDYHCGO-VHSXEESVSA-N 0 3 246.376 0.575 20 0 BCADHN CC[C@H](CO)N1CCN(CCC(C)(C)O)CC1 ZINC000347290069 386291673 /nfs/dbraw/zinc/29/16/73/386291673.db2.gz VEIRZFHTSNEZQR-GFCCVEGCSA-N 0 3 244.379 0.536 20 0 BCADHN CC(C)[C@@H](O)CN1CCO[C@@H](CN(C)C)C1 ZINC000336666869 386294199 /nfs/dbraw/zinc/29/41/99/386294199.db2.gz MMFPBEACNXKJQZ-RYUDHWBXSA-N 0 3 230.352 0.266 20 0 BCADHN Cc1ccc(O)c(CN(C)[C@H](C)CO)n1 ZINC000289385067 386295180 /nfs/dbraw/zinc/29/51/80/386295180.db2.gz DAQPLVJNJOBHRS-SECBINFHSA-N 0 3 210.277 0.908 20 0 BCADHN CC(C)N1CCC[C@@H](N(C)CCCO)C1=O ZINC000336668201 386297376 /nfs/dbraw/zinc/29/73/76/386297376.db2.gz RTHMBLKIGBULGB-LLVKDONJSA-N 0 3 228.336 0.700 20 0 BCADHN CO[C@@H]1CN(CCOCC2CC2)C[C@@H]1OC ZINC000336667972 386297851 /nfs/dbraw/zinc/29/78/51/386297851.db2.gz OSLMDUHBPSMWBR-TXEJJXNPSA-N 0 3 229.320 0.759 20 0 BCADHN CCN(CCN1CCCC1=O)[C@@H]1CCOC1 ZINC000336660582 386300101 /nfs/dbraw/zinc/30/01/01/386300101.db2.gz NQHCTAMUYVEHSY-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCCC(=O)OCC ZINC000081524570 386302785 /nfs/dbraw/zinc/30/27/85/386302785.db2.gz QRYUCHYQZJXVBH-LBPRGKRZSA-N 0 3 244.335 0.963 20 0 BCADHN COC[C@@H]1CCN([C@@H]2CCCCNC2=O)C1 ZINC000336672404 386303672 /nfs/dbraw/zinc/30/36/72/386303672.db2.gz KFJTYMRYYSFCKG-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)[C@H](NC(=O)CN)c1nc(C2CC2)no1 ZINC000236685158 386304012 /nfs/dbraw/zinc/30/40/12/386304012.db2.gz BOVIIGLELWOYGZ-VIFPVBQESA-N 0 3 238.291 0.719 20 0 BCADHN OC[C@H]1CC[C@@H](CO)N1CCOC1CCC1 ZINC000347304809 386305457 /nfs/dbraw/zinc/30/54/57/386305457.db2.gz LQMSJVKOEMVKOI-PHIMTYICSA-N 0 3 229.320 0.373 20 0 BCADHN CC[C@@]1(O)CCN(CCn2cncn2)C1 ZINC000347253651 386307025 /nfs/dbraw/zinc/30/70/25/386307025.db2.gz RRXZUHIAXIPMBK-SNVBAGLBSA-N 0 3 210.281 0.125 20 0 BCADHN C[C@@H](O)CCN1CCSC[C@H]1CCO ZINC000336673727 386307662 /nfs/dbraw/zinc/30/76/62/386307662.db2.gz PUXVUASLAHZHKO-NXEZZACHSA-N 0 3 219.350 0.557 20 0 BCADHN CO[C@H](C)C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000340595373 386309371 /nfs/dbraw/zinc/30/93/71/386309371.db2.gz QMRBGDDZIRHQMV-KXUCPTDWSA-N 0 3 246.376 0.525 20 0 BCADHN C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000408404514 386310026 /nfs/dbraw/zinc/31/00/26/386310026.db2.gz ZGONQIGPMMJCIO-PTRXPTGYSA-N 0 3 237.303 0.316 20 0 BCADHN C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000408404514 386310029 /nfs/dbraw/zinc/31/00/29/386310029.db2.gz ZGONQIGPMMJCIO-PTRXPTGYSA-N 0 3 237.303 0.316 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1CCOCCO ZINC000336668870 386310977 /nfs/dbraw/zinc/31/09/77/386310977.db2.gz HLGKTYRXUDDGML-GFCCVEGCSA-N 0 3 230.352 0.267 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cc2n[nH]cc2cc1C ZINC000289472631 386311445 /nfs/dbraw/zinc/31/14/45/386311445.db2.gz BBEGHIVQDPNACX-NSHDSACASA-N 0 3 248.286 0.784 20 0 BCADHN OC[C@@H]1CC[C@@H](CO)N1CCC(F)(F)F ZINC000347270050 386311455 /nfs/dbraw/zinc/31/14/55/386311455.db2.gz HLEGZBLZZWVIJH-YUMQZZPRSA-N 0 3 227.226 0.756 20 0 BCADHN Cc1[nH]nc(C(=O)NC[C@H](C)N(C)C)c1C ZINC000265183896 386315315 /nfs/dbraw/zinc/31/53/15/386315315.db2.gz GKBGWWQTRHBVSW-ZETCQYMHSA-N 0 3 224.308 0.706 20 0 BCADHN Cc1[nH]nc(C(=O)NC[C@@H](C)N(C)C)c1C ZINC000265183895 386315353 /nfs/dbraw/zinc/31/53/53/386315353.db2.gz GKBGWWQTRHBVSW-SSDOTTSWSA-N 0 3 224.308 0.706 20 0 BCADHN C[C@@H]1C[C@H](CN2C[C@@H](C)O[C@H](CO)C2)CCO1 ZINC000347280478 386315858 /nfs/dbraw/zinc/31/58/58/386315858.db2.gz SDXXGJVAKSAHJT-LPWJVIDDSA-N 0 3 243.347 0.883 20 0 BCADHN CC[C@@H](C(=O)N[C@H](CO)C(C)C)N(C)C ZINC000180993282 386316106 /nfs/dbraw/zinc/31/61/06/386316106.db2.gz GPRCQIMGWDWSKF-ZJUUUORDSA-N 0 3 216.325 0.460 20 0 BCADHN C/C=C(\CC)C(=O)NC[C@@](C)(O)CN(C)C ZINC000276401626 386315959 /nfs/dbraw/zinc/31/59/59/386315959.db2.gz CKDDDRCHHRJBGY-GCZGVDRJSA-N 0 3 228.336 0.772 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1c[nH]cn1 ZINC000265186639 386316345 /nfs/dbraw/zinc/31/63/45/386316345.db2.gz NDSFMUABFHRCQH-SNVBAGLBSA-N 0 3 236.319 0.824 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1CCCO1 ZINC000416437482 386316603 /nfs/dbraw/zinc/31/66/03/386316603.db2.gz MGMNARDAMILEDE-AXFHLTTASA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H](O)CCCN1CCC[C@H](OCCO)C1 ZINC000336670588 386316602 /nfs/dbraw/zinc/31/66/02/386316602.db2.gz RZADUFATRFBBOD-NEPJUHHUSA-N 0 3 231.336 0.621 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccnc(N(C)C)c1 ZINC000289494742 386317398 /nfs/dbraw/zinc/31/73/98/386317398.db2.gz AIKWWCXWIJRYPC-VIFPVBQESA-N 0 3 238.291 0.060 20 0 BCADHN CN(CCN1CCCC1)[C@H]1CCCNC1=O ZINC000336678612 386318351 /nfs/dbraw/zinc/31/83/51/386318351.db2.gz OVVQQTFNZWWUDU-NSHDSACASA-N 0 3 225.336 0.293 20 0 BCADHN Cc1[nH]nc(C(=O)NCCN(C)C2CC2)c1C ZINC000265220786 386318508 /nfs/dbraw/zinc/31/85/08/386318508.db2.gz MWBWXPSPYUWCFD-UHFFFAOYSA-N 0 3 236.319 0.851 20 0 BCADHN CO[C@H]1CN(CCN2CCNC2=O)CC[C@@H]1C ZINC000336678883 386319610 /nfs/dbraw/zinc/31/96/10/386319610.db2.gz DERPFVBSKOXRMH-QWRGUYRKSA-N 0 3 241.335 0.368 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@@](C)(C(N)=O)C1 ZINC000289510413 386320093 /nfs/dbraw/zinc/32/00/93/386320093.db2.gz DFCDXCNOOLZRPQ-GFCCVEGCSA-N 0 3 236.319 0.426 20 0 BCADHN CN(CCN1CCOCC1)[C@H]1CCCOC1 ZINC000336675107 386320871 /nfs/dbraw/zinc/32/08/71/386320871.db2.gz MACGZXYZEJHNQY-LBPRGKRZSA-N 0 3 228.336 0.429 20 0 BCADHN CC(C)[C@H](O)CN1CCC[C@@H](n2cncn2)C1 ZINC000336679633 386321046 /nfs/dbraw/zinc/32/10/46/386321046.db2.gz AWUXKLQOCKZYLL-VXGBXAGGSA-N 0 3 238.335 0.932 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)NCCN(C)CCOC ZINC000339248363 386323114 /nfs/dbraw/zinc/32/31/14/386323114.db2.gz JLNQJNABLWUWNE-GHMZBOCLSA-N 0 3 244.335 0.106 20 0 BCADHN COC(=O)c1cccc(NC(=O)[C@H](C)N)c1 ZINC000011957806 386323477 /nfs/dbraw/zinc/32/34/77/386323477.db2.gz OYJYMJVXOULNKZ-ZETCQYMHSA-N 0 3 222.244 0.759 20 0 BCADHN Cc1ncc(C(=O)N2CCN(CC3CC3)CC2)[nH]1 ZINC000264676718 386261761 /nfs/dbraw/zinc/26/17/61/386261761.db2.gz KEDQXVLKKKFKEU-UHFFFAOYSA-N 0 3 248.330 0.886 20 0 BCADHN CN1CCC(C(=O)NCC(F)(F)CN)CC1 ZINC000190292777 386262450 /nfs/dbraw/zinc/26/24/50/386262450.db2.gz JIJRLQQRRWVBQS-UHFFFAOYSA-N 0 3 235.278 0.038 20 0 BCADHN COC[C@@H]1CN(C[C@H]2CCOC2)CCO1 ZINC000336650399 386263222 /nfs/dbraw/zinc/26/32/22/386263222.db2.gz SSDFZOQIBNLKLD-MNOVXSKESA-N 0 3 215.293 0.370 20 0 BCADHN Cc1cnn(CCCCCN(C)CC(N)=O)c1 ZINC000264744402 386265754 /nfs/dbraw/zinc/26/57/54/386265754.db2.gz UTZNQMCRBJDNJE-UHFFFAOYSA-N 0 3 238.335 0.779 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCc1nc(C)no1 ZINC000226329571 386267192 /nfs/dbraw/zinc/26/71/92/386267192.db2.gz YAZPSVGCTBFOTA-NSHDSACASA-N 0 3 240.307 0.554 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC1 ZINC000416307420 386269453 /nfs/dbraw/zinc/26/94/53/386269453.db2.gz KYBQTDWGKAZGET-AXFHLTTASA-N 0 3 238.331 0.622 20 0 BCADHN C[C@@H]1OCC[C@H]1N(CCO)C[C@@H]1CCCO1 ZINC000339150274 386272305 /nfs/dbraw/zinc/27/23/05/386272305.db2.gz VCRKAYWXOPEBCM-SDDRHHMPSA-N 0 3 229.320 0.637 20 0 BCADHN CN(CCN1CCNC1=O)C[C@@H]1CCCO1 ZINC000336657614 386274111 /nfs/dbraw/zinc/27/41/11/386274111.db2.gz MGYMODOMTWLFBP-JTQLQIEISA-N 0 3 227.308 0.122 20 0 BCADHN CC[C@H](C)C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000347236037 386274606 /nfs/dbraw/zinc/27/46/06/386274606.db2.gz QCTOQYJOEKGISS-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](CNC(=O)[C@H](O)c1cccnc1)N(C)C ZINC000264844088 386274691 /nfs/dbraw/zinc/27/46/91/386274691.db2.gz LPMYZXYRXVRLFV-GXSJLCMTSA-N 0 3 237.303 0.181 20 0 BCADHN CN(CCC(N)=O)Cc1ccc2c[nH]nc2c1 ZINC000289238566 386275875 /nfs/dbraw/zinc/27/58/75/386275875.db2.gz DNYNCXSTCMPUSJ-UHFFFAOYSA-N 0 3 232.287 0.870 20 0 BCADHN C[C@H](CN(C)C)N[C@H](C)c1ccc(=O)[nH]n1 ZINC000336659567 386276553 /nfs/dbraw/zinc/27/65/53/386276553.db2.gz CAFZMVNLPPNLIU-RKDXNWHRSA-N 0 3 224.308 0.783 20 0 BCADHN CNS(=O)(=O)CCCN1CC[C@H](C)C1 ZINC000336675908 386324127 /nfs/dbraw/zinc/32/41/27/386324127.db2.gz WSUPOZRCHZHHBA-VIFPVBQESA-N 0 3 220.338 0.268 20 0 BCADHN CCN(C)CCNC(=O)/C=C/c1cnccn1 ZINC000264877814 386279262 /nfs/dbraw/zinc/27/92/62/386279262.db2.gz HLPLITXSSOARTR-SNAWJCMRSA-N 0 3 234.303 0.558 20 0 BCADHN CN(CCC(N)=O)C[C@@H](O)c1ccc(F)cc1 ZINC000265435413 386339918 /nfs/dbraw/zinc/33/99/18/386339918.db2.gz NWZJEOJCVWWNPW-LLVKDONJSA-N 0 3 240.278 0.666 20 0 BCADHN CN(CCN1CCOCC1)CC(C)(C)CO ZINC000336682257 386341077 /nfs/dbraw/zinc/34/10/77/386341077.db2.gz RFOAKYONZSQFDW-UHFFFAOYSA-N 0 3 230.352 0.269 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC(=O)/C=C/CN(C)C ZINC000276535661 386341089 /nfs/dbraw/zinc/34/10/89/386341089.db2.gz DPOJZOXTEGYNQA-JARNTUPDSA-N 0 3 241.335 0.087 20 0 BCADHN Cc1ccc([O-])c(CNC[C@H]([NH3+])C2CC2)n1 ZINC000414903500 386342299 /nfs/dbraw/zinc/34/22/99/386342299.db2.gz ZWHGNTRBHXGCBA-JTQLQIEISA-N 0 3 221.304 0.923 20 0 BCADHN CCO[C@H]1C[C@](N)(C(=O)NCCOC)C1(C)C ZINC000133726337 386345118 /nfs/dbraw/zinc/34/51/18/386345118.db2.gz HICQFMILAAOMFB-CABZTGNLSA-N 0 3 244.335 0.282 20 0 BCADHN Cc1cnc(CNC(=O)[C@@H]2C[C@@H]2N)s1 ZINC000335278298 386345462 /nfs/dbraw/zinc/34/54/62/386345462.db2.gz DFSPEZBHKTVKOG-RQJHMYQMSA-N 0 3 211.290 0.415 20 0 BCADHN C[C@H](O)CN(CCO)CCOCC1CC1 ZINC000336686085 386345752 /nfs/dbraw/zinc/34/57/52/386345752.db2.gz KVKIMGLWZRXBGX-JTQLQIEISA-N 0 3 217.309 0.088 20 0 BCADHN CN(C)CCN1CCC(Nc2cnccn2)CC1 ZINC000298457421 386346107 /nfs/dbraw/zinc/34/61/07/386346107.db2.gz JPRFNLAFYPYUAI-UHFFFAOYSA-N 0 3 249.362 0.915 20 0 BCADHN CN(CC(C)(C)CO)[C@H]1CCCCNC1=O ZINC000336687188 386348154 /nfs/dbraw/zinc/34/81/54/386348154.db2.gz XKIJKVMCQKEXMI-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H](CNC(=O)N1CCNCC1)N(C)C1CC1 ZINC000417547080 386348385 /nfs/dbraw/zinc/34/83/85/386348385.db2.gz GOYRDZWPNBNQIK-JTQLQIEISA-N 0 3 240.351 0.084 20 0 BCADHN COC[C@@H](C)N(C)C(=O)/C=C/CN(C)C ZINC000265624887 386352295 /nfs/dbraw/zinc/35/22/95/386352295.db2.gz IFLGGEWFNZQOIA-VQCYPWCPSA-N 0 3 214.309 0.598 20 0 BCADHN COC[C@H](C)N(C)C(=O)/C=C/CN(C)C ZINC000265624886 386352631 /nfs/dbraw/zinc/35/26/31/386352631.db2.gz IFLGGEWFNZQOIA-FGEFZZPRSA-N 0 3 214.309 0.598 20 0 BCADHN C[C@H](CC(N)=O)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000339285223 386352859 /nfs/dbraw/zinc/35/28/59/386352859.db2.gz RBVJWAJHLUMLQF-ZJUUUORDSA-N 0 3 241.335 0.051 20 0 BCADHN CO[C@H](C)CN1CC[C@H](N2CCCC2=O)C1 ZINC000336689599 386354413 /nfs/dbraw/zinc/35/44/13/386354413.db2.gz ZNWRIPFTVYEUQQ-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN COC(C)(C)CCN1CCN2C(=O)NC[C@@H]2C1 ZINC000336689355 386354776 /nfs/dbraw/zinc/35/47/76/386354776.db2.gz AVZOGAXILNGHSJ-SNVBAGLBSA-N 0 3 241.335 0.511 20 0 BCADHN CO[C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000366321298 386355084 /nfs/dbraw/zinc/35/50/84/386355084.db2.gz GWBJCSWQLDERGS-FOGDFJRCSA-N 0 3 244.310 0.762 20 0 BCADHN COCC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347316748 386355822 /nfs/dbraw/zinc/35/58/22/386355822.db2.gz MDCYJWBPZLATEY-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N[C@@H](C)[C@@H](C)CO ZINC000164889891 386357460 /nfs/dbraw/zinc/35/74/60/386357460.db2.gz RRIXXFATKOXSNA-DCAQKATOSA-N 0 3 230.352 0.754 20 0 BCADHN Cn1cccc1CNC[C@@H](O)C1CCOCC1 ZINC000265661801 386357490 /nfs/dbraw/zinc/35/74/90/386357490.db2.gz SBKZLRWSQWGNHD-CYBMUJFWSA-N 0 3 238.331 0.902 20 0 BCADHN C[C@]1(CO)CCC[C@@H]1NCC(=O)N1CCCC1 ZINC000408364843 386360307 /nfs/dbraw/zinc/36/03/07/386360307.db2.gz NKYLQTXGOWFLMY-WCQYABFASA-N 0 3 240.347 0.750 20 0 BCADHN COC(=O)[C@H]1CCN(C(=O)/C=C/CN(C)C)C1 ZINC000265685663 386360412 /nfs/dbraw/zinc/36/04/12/386360412.db2.gz XHJOGOKAHWGUFR-YEZKRMTDSA-N 0 3 240.303 0.126 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)/C=C/CN(C)C ZINC000265700310 386362233 /nfs/dbraw/zinc/36/22/33/386362233.db2.gz QLJFAZMQDNVSQR-VQCYPWCPSA-N 0 3 242.319 0.372 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000289845200 386362388 /nfs/dbraw/zinc/36/23/88/386362388.db2.gz FKYWGQZNHOPWNK-YNEHKIRRSA-N 0 3 248.326 0.708 20 0 BCADHN Cc1nnc2ccc(NCCN3CCCC3)nn12 ZINC000298806332 386387003 /nfs/dbraw/zinc/38/70/03/386387003.db2.gz USXVCFVEGCTEEI-UHFFFAOYSA-N 0 3 246.318 0.940 20 0 BCADHN CN(C)[C@H](CNC(=O)CN)c1ccc(F)cc1 ZINC000237191240 386363739 /nfs/dbraw/zinc/36/37/39/386363739.db2.gz RUMXGRHLVRJILD-LLVKDONJSA-N 0 3 239.294 0.503 20 0 BCADHN CCN(CCO)CCNC(=O)NC1CCC1 ZINC000347363068 386364920 /nfs/dbraw/zinc/36/49/20/386364920.db2.gz ANTOCZRZPIAVOR-UHFFFAOYSA-N 0 3 229.324 0.152 20 0 BCADHN CO[C@@H]1CN(CC2(C)COC2)C[C@H]1OC ZINC000336693398 386365857 /nfs/dbraw/zinc/36/58/57/386365857.db2.gz CWYAOUSBGOGAQN-NXEZZACHSA-N 0 3 215.293 0.369 20 0 BCADHN CO[C@H]1CN(CC2(C)COC2)C[C@@H]1OC ZINC000336693402 386366329 /nfs/dbraw/zinc/36/63/29/386366329.db2.gz CWYAOUSBGOGAQN-UWVGGRQHSA-N 0 3 215.293 0.369 20 0 BCADHN COC(=O)c1cc(CN(C)CCN(C)C)c[nH]1 ZINC000289888157 386367236 /nfs/dbraw/zinc/36/72/36/386367236.db2.gz SPFOYQXDYRKSBC-UHFFFAOYSA-N 0 3 239.319 0.795 20 0 BCADHN CC[C@@H](C)NC(=O)NCCN(C)CCOC ZINC000339322900 386367426 /nfs/dbraw/zinc/36/74/26/386367426.db2.gz SHHUHVCKPSCCRY-SNVBAGLBSA-N 0 3 231.340 0.662 20 0 BCADHN CN(C)C/C=C/C(=O)NCC1(C)OCCCO1 ZINC000276873288 386387155 /nfs/dbraw/zinc/38/71/55/386387155.db2.gz HNIOTDMZDCIWNS-GQCTYLIASA-N 0 3 242.319 0.374 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)[C@@H](C)OC ZINC000347372180 386370250 /nfs/dbraw/zinc/37/02/50/386370250.db2.gz KQQZPHZPIMSDQW-NXEZZACHSA-N 0 3 216.325 0.868 20 0 BCADHN CN(CCc1ccncc1)CCN1CCNC1=O ZINC000289918672 386371007 /nfs/dbraw/zinc/37/10/07/386371007.db2.gz NQZYPTFKGTUQOK-UHFFFAOYSA-N 0 3 248.330 0.581 20 0 BCADHN CC[C@@H](CO)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000336694344 386371139 /nfs/dbraw/zinc/37/11/39/386371139.db2.gz JBTKEOKUGHZBHK-STQMWFEESA-N 0 3 242.363 0.411 20 0 BCADHN Cc1nocc1CN[C@H](CO)C1CCOCC1 ZINC000339341119 386374266 /nfs/dbraw/zinc/37/42/66/386374266.db2.gz BQXJAODQEGFQII-GFCCVEGCSA-N 0 3 240.303 0.860 20 0 BCADHN CN(C)C[C@@H]1CN(C[C@@H]2CCCOC2)CCO1 ZINC000336696129 386374560 /nfs/dbraw/zinc/37/45/60/386374560.db2.gz JTTPYSNPGKYDDW-QWHCGFSZSA-N 0 3 242.363 0.675 20 0 BCADHN Cn1nncc1CNC[C@H](O)Cc1ccccc1 ZINC000289956333 386376275 /nfs/dbraw/zinc/37/62/75/386376275.db2.gz CCZGNARICXWZRX-CYBMUJFWSA-N 0 3 246.314 0.508 20 0 BCADHN O=C1[N-]C(=O)C2(CC[NH+](CC3CC3)CC2)N1 ZINC000336696802 386377203 /nfs/dbraw/zinc/37/72/03/386377203.db2.gz GXRRXLUTZUAFBY-UHFFFAOYSA-N 0 3 223.276 0.070 20 0 BCADHN C[C@H](COc1ccc(F)cc1F)NC(=O)CN ZINC000237410516 386377298 /nfs/dbraw/zinc/37/72/98/386377298.db2.gz FVXWZRKGIHRJNA-SSDOTTSWSA-N 0 3 244.241 0.807 20 0 BCADHN CN(C)CCNc1cncc(-n2cccn2)n1 ZINC000298717642 386377656 /nfs/dbraw/zinc/37/76/56/386377656.db2.gz PEKHNZLEHVPBHV-UHFFFAOYSA-N 0 3 232.291 0.636 20 0 BCADHN CN(C)C(=O)CCN1CCSC[C@@H]1CCO ZINC000347392145 386378181 /nfs/dbraw/zinc/37/81/81/386378181.db2.gz QCBFFRQNPHHNKJ-JTQLQIEISA-N 0 3 246.376 0.265 20 0 BCADHN CCN(CCOC)CCc1cnn(C)c1 ZINC000265855256 386378636 /nfs/dbraw/zinc/37/86/36/386378636.db2.gz QTAGFBBXLMVXFF-UHFFFAOYSA-N 0 3 211.309 0.931 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)C(C)(C)C)c1cnn(C)c1 ZINC000237429857 386378874 /nfs/dbraw/zinc/37/88/74/386378874.db2.gz ARKCGVLGZRZWBT-WCBMZHEXSA-N 0 3 238.335 0.971 20 0 BCADHN C[C@H](NC(=O)[C@@]1(F)CCNC1)C1CCOCC1 ZINC000366343637 386379900 /nfs/dbraw/zinc/37/99/00/386379900.db2.gz BNAKAZKBCZGXLP-JOYOIKCWSA-N 0 3 244.310 0.619 20 0 BCADHN CO[C@@H](CNC(=O)[C@@]1(F)CCNC1)C(C)C ZINC000366349906 386380635 /nfs/dbraw/zinc/38/06/35/386380635.db2.gz YKHUKZDGWGBOMU-GXSJLCMTSA-N 0 3 232.299 0.475 20 0 BCADHN Cc1cc(CNC[C@@H](O)C2CCC2)n(C)n1 ZINC000315741129 259686737 /nfs/dbraw/zinc/68/67/37/259686737.db2.gz LQIFLMOQZUARJR-GFCCVEGCSA-N 0 3 223.320 0.979 20 0 BCADHN CO[C@H](CN)C(=O)N(C)C1Cc2ccccc2C1 ZINC000290005763 386383246 /nfs/dbraw/zinc/38/32/46/386383246.db2.gz PUXLSJBXWPXFRK-CYBMUJFWSA-N 0 3 248.326 0.586 20 0 BCADHN Cc1nnc2ccc(NC[C@H](C)N(C)C)nn12 ZINC000298787836 386384161 /nfs/dbraw/zinc/38/41/61/386384161.db2.gz KKMPMNABXHQWMW-QMMMGPOBSA-N 0 3 234.307 0.795 20 0 BCADHN CO[C@@H]1CN(CCn2cccn2)C[C@@H]1OC ZINC000276855637 386384629 /nfs/dbraw/zinc/38/46/29/386384629.db2.gz JRIZYDAFNIIXFI-PHIMTYICSA-N 0 3 225.292 0.229 20 0 BCADHN CO[C@@H](C)[C@@H](C)NCC1(S(C)(=O)=O)CCC1 ZINC000336775433 386385050 /nfs/dbraw/zinc/38/50/50/386385050.db2.gz YZYPOEOPVZSWDO-ZJUUUORDSA-N 0 3 249.376 0.967 20 0 BCADHN CCN(C[C@@H]1COCCO1)[C@@H]1CCOC1 ZINC000336676252 386325932 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386393011 /nfs/dbraw/zinc/39/30/11/386393011.db2.gz JZZXLJZRHKYXKW-VHSXEESVSA-N 0 3 203.282 0.105 20 0 BCADHN CCN(CCOCCO)CCc1cccnc1 ZINC000282034659 386393328 /nfs/dbraw/zinc/39/33/28/386393328.db2.gz LFEHYJZDNPBOHM-UHFFFAOYSA-N 0 3 238.331 0.955 20 0 BCADHN CN(C)[C@H]1CCCN(S(=O)(=O)CC2CC2)C1 ZINC000335279872 386394606 /nfs/dbraw/zinc/39/46/06/386394606.db2.gz RBVAVGQPZCHMHU-NSHDSACASA-N 0 3 246.376 0.752 20 0 BCADHN CN(Cc1ccon1)C[C@H](O)CN(C)C1CC1 ZINC000290119187 386395682 /nfs/dbraw/zinc/39/56/82/386395682.db2.gz YOAKLLOEXDFHOZ-LBPRGKRZSA-N 0 3 239.319 0.562 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCn1cc(C)cn1 ZINC000182223560 386396455 /nfs/dbraw/zinc/39/64/55/386396455.db2.gz CSBWWGNJVDDXKK-GHMZBOCLSA-N 0 3 238.335 0.681 20 0 BCADHN COC[C@H]1CN(C[C@@H]2CCCOC2)CCO1 ZINC000336706242 386397733 /nfs/dbraw/zinc/39/77/33/386397733.db2.gz QYOKZTCSFZYSPG-NWDGAFQWSA-N 0 3 229.320 0.760 20 0 BCADHN Cc1ccc(CC(=O)NC[C@H](C)N(C)C)cn1 ZINC000298963193 386399932 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ZINC000366490469 386595604 /nfs/dbraw/zinc/59/56/04/386595604.db2.gz IWIBZBWWFGSPBU-GXSJLCMTSA-N 0 3 231.361 0.679 20 0 BCADHN CN(CCO[C@H]1CCCCO1)[C@@H]1COC[C@H]1O ZINC000329028095 386596060 /nfs/dbraw/zinc/59/60/60/386596060.db2.gz ADQWLCJMULBSOA-UTUOFQBUSA-N 0 3 245.319 0.221 20 0 BCADHN CC[C@@H](C)N1CCN([C@H](C)C(N)=O)CC1 ZINC000061679511 386531003 /nfs/dbraw/zinc/53/10/03/386531003.db2.gz NGNSGELRJZTINS-NXEZZACHSA-N 0 3 213.325 0.276 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000332036920 386534548 /nfs/dbraw/zinc/53/45/48/386534548.db2.gz KTCLRJZPABTXGW-LPEHRKFASA-N 0 3 243.351 0.395 20 0 BCADHN CSC[C@H](O)CN1CC([C@@H]2CCOC2)C1 ZINC000366490472 386596661 /nfs/dbraw/zinc/59/66/61/386596661.db2.gz IWIBZBWWFGSPBU-MWLCHTKSSA-N 0 3 231.361 0.679 20 0 BCADHN Cc1cc(CNC(=O)[C@H](C)N)cc(C)n1 ZINC000335461716 386542589 /nfs/dbraw/zinc/54/25/89/386542589.db2.gz MIOGXSNAHOCLOA-VIFPVBQESA-N 0 3 207.277 0.662 20 0 BCADHN CC[C@@H](COC)NCC1(S(C)(=O)=O)CC1 ZINC000336733429 386542786 /nfs/dbraw/zinc/54/27/86/386542786.db2.gz MJPCHLOKVPYEBI-VIFPVBQESA-N 0 3 235.349 0.578 20 0 BCADHN CSCCCNC(=O)NC[C@@H]1CNCCO1 ZINC000417684144 386543730 /nfs/dbraw/zinc/54/37/30/386543730.db2.gz OMADAPOOXDBHFT-VIFPVBQESA-N 0 3 247.364 0.027 20 0 BCADHN Cc1nc(C)c(C(=O)N(C)CCN(C)C)o1 ZINC000267490816 386547788 /nfs/dbraw/zinc/54/77/88/386547788.db2.gz FUSFTERATCVFGY-UHFFFAOYSA-N 0 3 225.292 0.925 20 0 BCADHN CC(C)(CO)[C@H](NCC(=O)NC1CC1)C1CC1 ZINC000339732309 386548429 /nfs/dbraw/zinc/54/84/29/386548429.db2.gz XXVTXSQFFKFQKC-GFCCVEGCSA-N 0 3 240.347 0.652 20 0 BCADHN COCCNCCNC(=O)N[C@@H](C)CC(C)C ZINC000417932187 386549786 /nfs/dbraw/zinc/54/97/86/386549786.db2.gz QLAJYGJIFDPSRJ-NSHDSACASA-N 0 3 245.367 0.956 20 0 BCADHN CN(CCCO)Cc1c[nH]c2nccnc12 ZINC000291483856 386553030 /nfs/dbraw/zinc/55/30/30/386553030.db2.gz GBEUXNQHHDIWOA-UHFFFAOYSA-N 0 3 220.276 0.772 20 0 BCADHN CC1(C)[C@H](N[C@@H]2CCNC2=O)[C@H]2CCCO[C@@H]21 ZINC000519803218 386555507 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PPYNNJMRJJZQTC-VIFPVBQESA-N 0 3 223.276 0.556 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCc1ccncc1C ZINC000519821363 386563678 /nfs/dbraw/zinc/56/36/78/386563678.db2.gz DEVHRSFPQYAWQI-CHWSQXEVSA-N 0 3 236.315 0.936 20 0 BCADHN Cn1nccc1CC(=O)NCC1=CCN(C)CC1 ZINC000278663159 386563771 /nfs/dbraw/zinc/56/37/71/386563771.db2.gz SAXXCWFJLSKBGK-UHFFFAOYSA-N 0 3 248.330 0.341 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cnnn2C)CCN1C ZINC000336967455 386564642 /nfs/dbraw/zinc/56/46/42/386564642.db2.gz IFLRYMVNJXGISE-BDAKNGLRSA-N 0 3 237.307 0.028 20 0 BCADHN Cc1ncc(C(=O)N2CCNC[C@@H]2C)[nH]1 ZINC000335406409 386566585 /nfs/dbraw/zinc/56/65/85/386566585.db2.gz LLNLIRMAKDYUHN-ZETCQYMHSA-N 0 3 208.265 0.152 20 0 BCADHN Cc1ccc([C@H](O)CN2C[C@@H](O)[C@H](O)C2)cc1 ZINC000278690216 386567481 /nfs/dbraw/zinc/56/74/81/386567481.db2.gz JEMVPYFWFRVLMQ-JHJVBQTASA-N 0 3 237.299 0.066 20 0 BCADHN C[C@@H](O)CCCNCc1cnc2cnccn12 ZINC000278680838 386567596 /nfs/dbraw/zinc/56/75/96/386567596.db2.gz PAKVIJWSBSNJPR-SNVBAGLBSA-N 0 3 234.303 0.980 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H](C)N1CC(C)C1 ZINC000519833924 386567612 /nfs/dbraw/zinc/56/76/12/386567612.db2.gz OXKPWIREUDRZGE-QWRGUYRKSA-N 0 3 227.352 0.393 20 0 BCADHN C[C@]1(C(=O)NC[C@@H]2CCC[C@@H]2O)CCCCN1 ZINC000136183587 386569383 /nfs/dbraw/zinc/56/93/83/386569383.db2.gz CQHMWFYKQAERGJ-GMXVVIOVSA-N 0 3 240.347 0.796 20 0 BCADHN Cc1ccc([O-])c(CN[C@H](C[NH3+])C2CC2)n1 ZINC000414796855 386570371 /nfs/dbraw/zinc/57/03/71/386570371.db2.gz IBZKGAZUTJTHOT-SNVBAGLBSA-N 0 3 221.304 0.923 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)Cc1cc[nH]n1 ZINC000268098486 386619154 /nfs/dbraw/zinc/61/91/54/386619154.db2.gz HNBWNYFJOAIQME-NSHDSACASA-N 0 3 236.319 0.505 20 0 BCADHN C[C@H](NC[C@H](CO)[C@H]1CCOC1)c1ncc[nH]1 ZINC000329168149 386621404 /nfs/dbraw/zinc/62/14/04/386621404.db2.gz IYGDYWPDORKQID-GARJFASQSA-N 0 3 239.319 0.705 20 0 BCADHN C[C@H](NC[C@@H](CO)[C@H]1CCOC1)c1ncc[nH]1 ZINC000329168148 386622470 /nfs/dbraw/zinc/62/24/70/386622470.db2.gz IYGDYWPDORKQID-DCAQKATOSA-N 0 3 239.319 0.705 20 0 BCADHN C[C@@H](O)CCN1CCN(CCO)C(C)(C)C1 ZINC000644931164 386629246 /nfs/dbraw/zinc/62/92/46/386629246.db2.gz WYFHRMNCMLIZOP-LLVKDONJSA-N 0 3 230.352 0.146 20 0 BCADHN Cc1noc([C@H]2CCN([C@H]3CCOC3)C2)n1 ZINC000329198215 386632387 /nfs/dbraw/zinc/63/23/87/386632387.db2.gz UPAJCUMVUGIPBR-UWVGGRQHSA-N 0 3 223.276 0.956 20 0 BCADHN C[C@H](O)CN[C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000292200760 386634201 /nfs/dbraw/zinc/63/42/01/386634201.db2.gz NTFDEALGVJWVNX-JBLDHEPKSA-N 0 3 236.315 0.614 20 0 BCADHN Cc1ncc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)[nH]1 ZINC000268236219 386634262 /nfs/dbraw/zinc/63/42/62/386634262.db2.gz UABAHURJCPSBHJ-QPUJVOFHSA-N 0 3 248.330 0.931 20 0 BCADHN CC(C)[C@@H](O)CN(CC(N)=O)C1CCCC1 ZINC000644992537 386656045 /nfs/dbraw/zinc/65/60/45/386656045.db2.gz UADIVGSLZWDCFX-NSHDSACASA-N 0 3 228.336 0.733 20 0 BCADHN Cc1ncc(NC(=O)N2C[C@@H](C)NC[C@H]2C)cn1 ZINC000415145783 386642621 /nfs/dbraw/zinc/64/26/21/386642621.db2.gz XSQUMLZOXNJHGL-RKDXNWHRSA-N 0 3 249.318 0.999 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@]1(C)CCOC1 ZINC000336782839 386651517 /nfs/dbraw/zinc/65/15/17/386651517.db2.gz YTGOTICPVKTJIS-QWRGUYRKSA-N 0 3 249.376 0.826 20 0 BCADHN C[C@]1(C(=O)NC[C@@H]2CNCCO2)CC1(F)F ZINC000335515046 386651511 /nfs/dbraw/zinc/65/15/11/386651511.db2.gz GCCVALPKRRSPCI-IONNQARKSA-N 0 3 234.246 0.136 20 0 BCADHN C[C@]1(C(=O)NC[C@H]2CNCCO2)CC1(F)F ZINC000335515047 386652050 /nfs/dbraw/zinc/65/20/50/386652050.db2.gz GCCVALPKRRSPCI-VXNVDRBHSA-N 0 3 234.246 0.136 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H](C)c1nnc[n-]1)[NH+](C)C ZINC000268441632 386652112 /nfs/dbraw/zinc/65/21/12/386652112.db2.gz RVUVOTVKROJGDU-RKDXNWHRSA-N 0 3 239.323 0.568 20 0 BCADHN CN(C)CCn1nnnc1SCCCCO ZINC000340674241 386654649 /nfs/dbraw/zinc/65/46/49/386654649.db2.gz HJUYCSJJXJWWFU-UHFFFAOYSA-N 0 3 245.352 0.099 20 0 BCADHN CO[C@@H](C)[C@@H](C)NC(=O)/C=C/CN(C)C ZINC000291914296 386600077 /nfs/dbraw/zinc/60/00/77/386600077.db2.gz SZMJLTLMZDLEJO-YJOJJWFDSA-N 0 3 214.309 0.644 20 0 BCADHN O=C(CNC1CC1)N1CCC[C@@H]2COCC[C@H]21 ZINC000520218199 386601594 /nfs/dbraw/zinc/60/15/94/386601594.db2.gz PDIRUSZWHWSONR-ZYHUDNBSSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@H](O)CCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000336645836 386607055 /nfs/dbraw/zinc/60/70/55/386607055.db2.gz JARFIHLVHLYZKF-YUMQZZPRSA-N 0 3 227.226 0.756 20 0 BCADHN Cc1[nH]cnc1CC(=O)NC[C@H](O)C(C)C ZINC000278948317 386608913 /nfs/dbraw/zinc/60/89/13/386608913.db2.gz VJEQWVSCQVVMMC-JTQLQIEISA-N 0 3 225.292 0.394 20 0 BCADHN CN(C[C@@H]1COCCO1)C[C@@H]1CCCC[C@@H]1O ZINC000450701097 386609803 /nfs/dbraw/zinc/60/98/03/386609803.db2.gz VRHQYYRFMZAOIU-XQQFMLRXSA-N 0 3 243.347 0.885 20 0 BCADHN COC(=O)CCN1CC[C@@H](n2cccn2)C1 ZINC000292034708 386611876 /nfs/dbraw/zinc/61/18/76/386611876.db2.gz ZFAWVSUSFWRTRQ-SNVBAGLBSA-N 0 3 223.276 0.693 20 0 BCADHN CC[C@H](F)CN[C@H](CO)[C@@H]1CCCO1 ZINC000336645445 386613361 /nfs/dbraw/zinc/61/33/61/386613361.db2.gz BQLQFDNQILBPRZ-AEJSXWLSSA-N 0 3 205.273 0.864 20 0 BCADHN CC[C@H](NCC(=O)NC)[C@@H]1CCCO1 ZINC000336646980 386655292 /nfs/dbraw/zinc/65/52/92/386655292.db2.gz DRDAXJOHFLJLAD-IUCAKERBSA-N 0 3 200.282 0.280 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1nc(C(N)=O)cs1 ZINC000292068336 386615363 /nfs/dbraw/zinc/61/53/63/386615363.db2.gz KVHMRGFPDDYAQN-ZCFIWIBFSA-N 0 3 242.304 0.164 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1cocn1 ZINC000268111507 386618523 /nfs/dbraw/zinc/61/85/23/386618523.db2.gz JGHLAYHNPJOAOJ-VIFPVBQESA-N 0 3 223.276 0.841 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000335522731 386663568 /nfs/dbraw/zinc/66/35/68/386663568.db2.gz YZTUCQBMWXOQTJ-CMPLNLGQSA-N 0 3 248.330 0.884 20 0 BCADHN CS[C@H]1CC[C@@H]1NC1(C(N)=O)CC1 ZINC000425331559 386664723 /nfs/dbraw/zinc/66/47/23/386664723.db2.gz BTGAXZAQYOXYIU-BQBZGAKWSA-N 0 3 200.307 0.488 20 0 BCADHN CC(C(=O)N[C@@H]1C[C@H]2C[C@H]2C1)S(C)(=O)=O ZINC000520399146 386666684 /nfs/dbraw/zinc/66/66/84/386666684.db2.gz UIBUDZVOUKDTEO-MAUMQABQSA-N 0 3 231.317 0.334 20 0 BCADHN CO[C@@H](CN)C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000353164621 386667692 /nfs/dbraw/zinc/66/76/92/386667692.db2.gz IKYGNSYHQDUERP-KWQFWETISA-N 0 3 226.320 0.750 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NCc1cc[nH]n1 ZINC000520439847 386675877 /nfs/dbraw/zinc/67/58/77/386675877.db2.gz YRNARDWTTKEYHQ-SNVBAGLBSA-N 0 3 237.307 0.303 20 0 BCADHN CC[C@H]1CCN1C[C@H](O)Cn1cccn1 ZINC000292467996 386676200 /nfs/dbraw/zinc/67/62/00/386676200.db2.gz RAVVOGRWMXBTJV-QWRGUYRKSA-N 0 3 209.293 0.728 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1CCCOC1 ZINC000352832161 386676807 /nfs/dbraw/zinc/67/68/07/386676807.db2.gz VMYGZHUVCFWVID-UWVGGRQHSA-N 0 3 229.324 0.415 20 0 BCADHN Cc1cn[nH]c1CNCC(=O)NCc1ccco1 ZINC000352835316 386681589 /nfs/dbraw/zinc/68/15/89/386681589.db2.gz ORUDXTUCMBWJFI-UHFFFAOYSA-N 0 3 248.286 0.717 20 0 BCADHN CC(C)[C@H](C(=O)NCc1cnn(C)c1)N(C)C ZINC000268523399 386657326 /nfs/dbraw/zinc/65/73/26/386657326.db2.gz VLBWYXMOQRWLLM-LLVKDONJSA-N 0 3 238.335 0.623 20 0 BCADHN C[C@H](NCCN1CCOC[C@H]1C)c1cn[nH]c1 ZINC000337214467 386657446 /nfs/dbraw/zinc/65/74/46/386657446.db2.gz XOCDAMRFWMKPFM-MNOVXSKESA-N 0 3 238.335 0.781 20 0 BCADHN C[C@@H](O)CN(C)CCN1CCOC(C)(C)C1 ZINC000337231527 386683189 /nfs/dbraw/zinc/68/31/89/386683189.db2.gz IZFUNEFPVMBWQG-LLVKDONJSA-N 0 3 230.352 0.410 20 0 BCADHN CCOC[C@H](C)NCCCS(C)(=O)=O ZINC000063014916 386685991 /nfs/dbraw/zinc/68/59/91/386685991.db2.gz JYBSMTCRWCDHJE-VIFPVBQESA-N 0 3 223.338 0.436 20 0 BCADHN CC[C@H](CNC(=O)Cc1nc[nH]c1C)OC ZINC000292540226 386687397 /nfs/dbraw/zinc/68/73/97/386687397.db2.gz RSGSZEJGTSYPGV-SECBINFHSA-N 0 3 225.292 0.802 20 0 BCADHN NC1(C(=O)N2CCC[C@@H](n3cccn3)C2)CCC1 ZINC000335472326 386691137 /nfs/dbraw/zinc/69/11/37/386691137.db2.gz ZWKOYSCZAKESHQ-LLVKDONJSA-N 0 3 248.330 0.928 20 0 BCADHN CO[C@H](C)CN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000337258597 386691999 /nfs/dbraw/zinc/69/19/99/386691999.db2.gz VDOCXCIYIJGIHZ-OPRDCNLKSA-N 0 3 212.293 0.232 20 0 BCADHN CC(C)(N)C(=O)NC[C@H]1CCCCO1 ZINC000042823258 386692999 /nfs/dbraw/zinc/69/29/99/386692999.db2.gz ABJFIMDAUVEVCL-MRVPVSSYSA-N 0 3 200.282 0.409 20 0 BCADHN C[C@@H](C(=O)NC[C@@]1(O)CCN(C)C1)C1CCC1 ZINC000331477550 386694115 /nfs/dbraw/zinc/69/41/15/386694115.db2.gz LEADBHCMHSLCGR-MFKMUULPSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H](O)CN1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000337264843 386694644 /nfs/dbraw/zinc/69/46/44/386694644.db2.gz YBROCKCYEDNREJ-NNYUYHANSA-N 0 3 229.320 0.636 20 0 BCADHN C[C@]1(CNC(=O)[C@@H](N)CC(F)F)CCCO1 ZINC000336648442 386695597 /nfs/dbraw/zinc/69/55/97/386695597.db2.gz GDIMBYXNHYNLKT-OIBJUYFYSA-N 0 3 236.262 0.654 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)Cn1cccn1 ZINC000340685614 386695662 /nfs/dbraw/zinc/69/56/62/386695662.db2.gz SQQWTFDRMFTQFP-NSHDSACASA-N 0 3 236.319 0.436 20 0 BCADHN CN1CCC(C(=O)N2CC(OC(F)F)C2)CC1 ZINC000335483363 386711978 /nfs/dbraw/zinc/71/19/78/386711978.db2.gz XDOXFXAQSIVFHX-UHFFFAOYSA-N 0 3 248.273 0.778 20 0 BCADHN CC[C@H](N[C@H]1CC(=O)N(C)C1)c1cnn(C)c1 ZINC000268808648 386697160 /nfs/dbraw/zinc/69/71/60/386697160.db2.gz GKPCZBPAYSWQCU-QWRGUYRKSA-N 0 3 236.319 0.692 20 0 BCADHN C[C@@H]1[C@@H](C)N(CCn2cncn2)CCN1C ZINC000357039330 386699365 /nfs/dbraw/zinc/69/93/65/386699365.db2.gz NZOFNBPEIMJFFA-GHMZBOCLSA-N 0 3 223.324 0.303 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1C(=O)[C@@H](C)N ZINC000335475326 386699311 /nfs/dbraw/zinc/69/93/11/386699311.db2.gz KDUUSPZEGOZLBE-NXEZZACHSA-N 0 3 213.325 0.132 20 0 BCADHN COC[C@@H](C)NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000417972461 386700578 /nfs/dbraw/zinc/70/05/78/386700578.db2.gz SUYIWALOADVCER-KXUCPTDWSA-N 0 3 229.324 0.413 20 0 BCADHN C[C@@H](N)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000335476531 386700999 /nfs/dbraw/zinc/70/09/99/386700999.db2.gz CXIPAQCXQXXWRQ-MWLCHTKSSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H](O)CN(C)C[C@@H](O)COc1ccccc1 ZINC000247145044 386701196 /nfs/dbraw/zinc/70/11/96/386701196.db2.gz ZUUZSDRDGMHXEB-VXGBXAGGSA-N 0 3 239.315 0.739 20 0 BCADHN CCOC[C@@H](C)N[C@H]1CCCN(C)C1=O ZINC000336760149 386702300 /nfs/dbraw/zinc/70/23/00/386702300.db2.gz LNCIHKDLMZNBGC-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CNCC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000335480300 386706717 /nfs/dbraw/zinc/70/67/17/386706717.db2.gz YGHDNZJBOSBQEL-SNVBAGLBSA-N 0 3 213.325 0.004 20 0 BCADHN CNCC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000335480298 386708104 /nfs/dbraw/zinc/70/81/04/386708104.db2.gz YGHDNZJBOSBQEL-JTQLQIEISA-N 0 3 213.325 0.004 20 0 BCADHN N[C@@H](C(=O)N[C@H]1C=CCCC1)C1CCOCC1 ZINC000335534906 386736415 /nfs/dbraw/zinc/73/64/15/386736415.db2.gz VBDKKFIFKAPGQO-NWDGAFQWSA-N 0 3 238.331 0.965 20 0 BCADHN CN(C)CC[C@](C)(O)CNC(=O)[C@H]1CC1(C)C ZINC000357200837 386736631 /nfs/dbraw/zinc/73/66/31/386736631.db2.gz ITAIRXPTSPLOJW-MFKMUULPSA-N 0 3 242.363 0.851 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)C2)C1 ZINC000335535869 386737044 /nfs/dbraw/zinc/73/70/44/386737044.db2.gz ZVKATTNPBIUPDX-WDEREUQCSA-N 0 3 238.331 0.908 20 0 BCADHN CN1CCC(C(=O)NCCC2(O)CCC2)CC1 ZINC000357090774 386713980 /nfs/dbraw/zinc/71/39/80/386713980.db2.gz YTSISZDVGMFWFZ-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN Cc1c(CC(=O)N(C)CCN(C)C)cnn1C ZINC000292728660 386715662 /nfs/dbraw/zinc/71/56/62/386715662.db2.gz IZTYVEQUWDWIIZ-UHFFFAOYSA-N 0 3 238.335 0.291 20 0 BCADHN C[C@H](O)CN1CCC[C@@H](N2CCCC2=O)C1 ZINC000335540343 386720574 /nfs/dbraw/zinc/72/05/74/386720574.db2.gz TXXJHBHWFOYIGC-WDEREUQCSA-N 0 3 226.320 0.454 20 0 BCADHN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)[C@@H](C)N ZINC000121810129 386722705 /nfs/dbraw/zinc/72/27/05/386722705.db2.gz QYVZZAIFPLTGLV-GMTAPVOTSA-N 0 3 228.336 0.901 20 0 BCADHN Cc1nc(C(=O)NC[C@@H](C)N(C)C)c(C)o1 ZINC000292772796 386724145 /nfs/dbraw/zinc/72/41/45/386724145.db2.gz STZFQGPHEZGEAC-SSDOTTSWSA-N 0 3 225.292 0.971 20 0 BCADHN Cc1c(CN2CCC[C@H](CO)C2)cnn1C ZINC000268948048 386725704 /nfs/dbraw/zinc/72/57/04/386725704.db2.gz UXUYLZSHNXXQLZ-NSHDSACASA-N 0 3 223.320 0.933 20 0 BCADHN C[C@@H](N[C@@H]1CS[C@H](C)C1)C(=O)NCCF ZINC000639152394 386725980 /nfs/dbraw/zinc/72/59/80/386725980.db2.gz BFRCMZYTOALWJS-HLTSFMKQSA-N 0 3 234.340 0.944 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726758 386728675 /nfs/dbraw/zinc/72/86/75/386728675.db2.gz LXPFDWQIWWBAST-GXSJLCMTSA-N 0 3 225.336 0.323 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)COCCOC ZINC000442826817 386729300 /nfs/dbraw/zinc/72/93/00/386729300.db2.gz XYUMCZJXNZUJHG-VWYCJHECSA-N 0 3 246.351 0.528 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)[C@H]1CCCO1 ZINC000335538573 386744732 /nfs/dbraw/zinc/74/47/32/386744732.db2.gz GDIIXAXXIXQBIT-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN COC(=O)[C@@H]1CCN(CC[C@H](C)O)C[C@@H]1C ZINC000450834725 386748524 /nfs/dbraw/zinc/74/85/24/386748524.db2.gz MESRXSZLNIFXIH-GARJFASQSA-N 0 3 229.320 0.888 20 0 BCADHN C[C@H](NC[C@@H](CO)[C@H]1CCOC1)c1cn[nH]c1 ZINC000330493814 386749219 /nfs/dbraw/zinc/74/92/19/386749219.db2.gz NIPZVPKSMJXQPE-NHCYSSNCSA-N 0 3 239.319 0.705 20 0 BCADHN Cc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)o1 ZINC000334149231 386750118 /nfs/dbraw/zinc/75/01/18/386750118.db2.gz HCIVTXKNBWMQBH-GFCCVEGCSA-N 0 3 238.287 0.384 20 0 BCADHN CC[C@H](N)C(=O)NCCC[C@@H](O)CC ZINC000336761045 386750488 /nfs/dbraw/zinc/75/04/88/386750488.db2.gz MUCBMJULBAMJLN-IUCAKERBSA-N 0 3 202.298 0.391 20 0 BCADHN Cc1cnn(C)c1CNC[C@H](CO)C1CC1 ZINC000336663924 386752001 /nfs/dbraw/zinc/75/20/01/386752001.db2.gz DRCMFZVVORGQJD-LLVKDONJSA-N 0 3 223.320 0.837 20 0 BCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1CC1CC1 ZINC000648064856 386752894 /nfs/dbraw/zinc/75/28/94/386752894.db2.gz NJPRMDXNZMKAHN-SNVBAGLBSA-N 0 3 225.336 0.448 20 0 BCADHN CC(C(=O)NCC(F)(F)F)S(C)(=O)=O ZINC000045801431 386754023 /nfs/dbraw/zinc/75/40/23/386754023.db2.gz RINBPBNYTGDINR-BYPYZUCNSA-N 0 3 233.211 0.098 20 0 BCADHN CC(C)N(C)CC(=O)NCc1cncnc1N ZINC000269130281 386754476 /nfs/dbraw/zinc/75/44/76/386754476.db2.gz WFJVOWIBUQKEFQ-UHFFFAOYSA-N 0 3 237.307 0.015 20 0 BCADHN CC(C)CN1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000648065971 386754920 /nfs/dbraw/zinc/75/49/20/386754920.db2.gz UQHCMHCYSVKBGF-NSHDSACASA-N 0 3 227.352 0.694 20 0 BCADHN CC(C)CN1CN(CCN(C)C)C(=O)[C@H]1C ZINC000648065970 386755580 /nfs/dbraw/zinc/75/55/80/386755580.db2.gz UQHCMHCYSVKBGF-LLVKDONJSA-N 0 3 227.352 0.694 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1c[nH]cn1 ZINC000344833020 386756790 /nfs/dbraw/zinc/75/67/90/386756790.db2.gz DHQRLCPDQVWGNE-UHFFFAOYSA-N 0 3 224.308 0.824 20 0 BCADHN NC(=O)c1cccc(CNCCN2CCC2)c1 ZINC000344844376 386758507 /nfs/dbraw/zinc/75/85/07/386758507.db2.gz IQSRZPLNIKQNAN-UHFFFAOYSA-N 0 3 233.315 0.581 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H](O)[C@@H]1C)N(C)C ZINC000452723440 386762056 /nfs/dbraw/zinc/76/20/56/386762056.db2.gz XTIWYBFPEGAECK-HBNTYKKESA-N 0 3 228.336 0.698 20 0 BCADHN COC(=O)c1cc(NC(=O)C2(N)CC2)cn1C ZINC000269213550 386762570 /nfs/dbraw/zinc/76/25/70/386762570.db2.gz RYEZKSXVLVIZRL-UHFFFAOYSA-N 0 3 237.259 0.242 20 0 BCADHN CNC(=O)c1ccc(CNCCN2CCC2)cc1 ZINC000344851338 386762686 /nfs/dbraw/zinc/76/26/86/386762686.db2.gz UGUODVAIPLOIII-UHFFFAOYSA-N 0 3 247.342 0.842 20 0 BCADHN CC(C)N(CC(=O)N(C)C)C[C@@H](C)O ZINC000340786111 386763399 /nfs/dbraw/zinc/76/33/99/386763399.db2.gz YTBCBSWELRCZIA-SECBINFHSA-N 0 3 202.298 0.166 20 0 BCADHN CC[C@H](N)C(=O)NCc1cn2ccccc2n1 ZINC000269233350 386764494 /nfs/dbraw/zinc/76/44/94/386764494.db2.gz KDPNIKNAFOKSFK-JTQLQIEISA-N 0 3 232.287 0.688 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](C)Cn1cncn1 ZINC000269232845 386764643 /nfs/dbraw/zinc/76/46/43/386764643.db2.gz PYOICFILIAYVLN-KOLCDFICSA-N 0 3 239.323 0.300 20 0 BCADHN Cc1cn2cc(NC(=O)[C@H](C)N)ccc2n1 ZINC000269245022 386766775 /nfs/dbraw/zinc/76/67/75/386766775.db2.gz LORIXQFCOIAGPT-QMMMGPOBSA-N 0 3 218.260 0.928 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000269240780 386767489 /nfs/dbraw/zinc/76/74/89/386767489.db2.gz JAUYPVDIHPGMHD-UWVGGRQHSA-N 0 3 236.319 0.853 20 0 BCADHN CN(CCNC(=O)N(C)C)C[C@@H]1CCCCO1 ZINC000348922857 386768021 /nfs/dbraw/zinc/76/80/21/386768021.db2.gz VLWRKSHVDASACS-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN CO[C@H]1C[C@@H](CN(C)[C@@H](C)C(N)=O)N(C)C1 ZINC000330559782 386768790 /nfs/dbraw/zinc/76/87/90/386768790.db2.gz RQLOFYKVKFKWDH-GUBZILKMSA-N 0 3 229.324 0.561 20 0 BCADHN CC[C@H](O)CN(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000192449939 386770118 /nfs/dbraw/zinc/77/01/18/386770118.db2.gz XJXPJLCSMGWFGX-XQQFMLRXSA-N 0 3 244.379 0.798 20 0 BCADHN CCC(C)(C)CNC(=O)C(C)S(C)(=O)=O ZINC000190870789 386741257 /nfs/dbraw/zinc/74/12/57/386741257.db2.gz UEGPLKUNNSJJTR-MRVPVSSYSA-N 0 3 235.349 0.972 20 0 BCADHN CC[C@@](C)(O)CN1CC[C@H](NC(=O)NC)C1 ZINC000408443680 386769252 /nfs/dbraw/zinc/76/92/52/386769252.db2.gz QSQADOHGTUNGPZ-GXSJLCMTSA-N 0 3 229.324 0.151 20 0 BCADHN COC[C@H](O)CNCc1cc(OC)ccc1F ZINC000293212585 386789529 /nfs/dbraw/zinc/78/95/29/386789529.db2.gz JJYXNSZVVZFIBC-SNVBAGLBSA-N 0 3 243.278 0.931 20 0 BCADHN Cc1noc(C)c1CN1CC[C@](C)(C(N)=O)C1 ZINC000280211745 386789445 /nfs/dbraw/zinc/78/94/45/386789445.db2.gz IQDLYQLXDPAMRQ-LBPRGKRZSA-N 0 3 237.303 0.989 20 0 BCADHN C[C@H](O)CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000192520834 386789848 /nfs/dbraw/zinc/78/98/48/386789848.db2.gz CGOGWJGIUYIQQZ-GUBZILKMSA-N 0 3 241.335 0.292 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NCc1cnnn1C ZINC000344890642 386792209 /nfs/dbraw/zinc/79/22/09/386792209.db2.gz OPLRBIBYEOHITF-CABZTGNLSA-N 0 3 235.335 0.387 20 0 BCADHN COC[C@@H](C)CN1CCSC[C@H]1CO ZINC000639397037 386793217 /nfs/dbraw/zinc/79/32/17/386793217.db2.gz HMEBOFUMUGCAFD-VHSXEESVSA-N 0 3 219.350 0.679 20 0 BCADHN Cc1c(CN2CC[C@@](C)(C(N)=O)C2)cnn1C ZINC000280254078 386794999 /nfs/dbraw/zinc/79/49/99/386794999.db2.gz LJKIKPQPCBQHSN-GFCCVEGCSA-N 0 3 236.319 0.426 20 0 BCADHN CN(C)c1cc(NC(=O)C(C)(C)N)ccn1 ZINC000269277827 386771357 /nfs/dbraw/zinc/77/13/57/386771357.db2.gz YGSQBOWNHRAVOG-UHFFFAOYSA-N 0 3 222.292 0.823 20 0 BCADHN Cc1cnc(N2CCN(C(=O)CN)CC2)s1 ZINC000269268149 386771530 /nfs/dbraw/zinc/77/15/30/386771530.db2.gz QKSZEIDTKXWRCV-UHFFFAOYSA-N 0 3 240.332 0.059 20 0 BCADHN Cc1nn(C)c(C)c1NC(=O)[C@@H]1NCC1(C)C ZINC000647908561 386773849 /nfs/dbraw/zinc/77/38/49/386773849.db2.gz DYULNYMRSMRVCB-JTQLQIEISA-N 0 3 236.319 0.973 20 0 BCADHN CSC[C@H](O)CN1CCC[C@](O)(C(N)=O)C1 ZINC000330578240 386796359 /nfs/dbraw/zinc/79/63/59/386796359.db2.gz SGPDGOVRYAJSJC-PSASIEDQSA-N 0 3 248.348 0.072 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2ccc[nH]c2=O)CCN1C ZINC000357406189 386777898 /nfs/dbraw/zinc/77/78/98/386777898.db2.gz CNWPXDYVIGNBCM-NXEZZACHSA-N 0 3 249.314 1.000 20 0 BCADHN COC(=O)C(C)(C)CCN[C@H]1CCNC1=O ZINC000336761405 386781752 /nfs/dbraw/zinc/78/17/52/386781752.db2.gz KHJFCNAEAUPHHL-QMMMGPOBSA-N 0 3 228.292 0.054 20 0 BCADHN CC(C)[C@@H]1C[C@@H]1C(=O)NCCOCCN(C)C ZINC000357458607 386785609 /nfs/dbraw/zinc/78/56/09/386785609.db2.gz KILDDDROVGYOET-RYUDHWBXSA-N 0 3 242.363 0.973 20 0 BCADHN C=Cn1cc(CN2CC[C@@](C)(C(N)=O)C2)cn1 ZINC000280162022 386785579 /nfs/dbraw/zinc/78/55/79/386785579.db2.gz FKQQZUYPNQKCOR-GFCCVEGCSA-N 0 3 234.303 0.681 20 0 BCADHN Cc1n[nH]cc1CN1CCC[C@H](CO)C1 ZINC000269378068 386786035 /nfs/dbraw/zinc/78/60/35/386786035.db2.gz WKFGWPPNLRBECK-JTQLQIEISA-N 0 3 209.293 0.922 20 0 BCADHN C[C@H]1[C@H](CO)CCN1CC(=O)N(C)C1CC1 ZINC000395240455 386787109 /nfs/dbraw/zinc/78/71/09/386787109.db2.gz YNKNEPXZHQZDBU-UWVGGRQHSA-N 0 3 226.320 0.310 20 0 BCADHN CC(C)(C)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000330612690 386788055 /nfs/dbraw/zinc/78/80/55/386788055.db2.gz RBWZPILTEZEURU-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN Cc1[nH]nc2ncc(CN[C@H](C)CC(N)=O)cc12 ZINC000344884795 386788987 /nfs/dbraw/zinc/78/89/87/386788987.db2.gz LFCFLMIGKSXYCX-SSDOTTSWSA-N 0 3 247.302 0.620 20 0 BCADHN CO[C@@H]1CN(CCOCC(C)C)C[C@H]1O ZINC000395345855 386820219 /nfs/dbraw/zinc/82/02/19/386820219.db2.gz IVCGZBOLXFXNBK-GHMZBOCLSA-N 0 3 217.309 0.351 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CC[C@H](C)O2)C[C@H]1O ZINC000395362886 386821674 /nfs/dbraw/zinc/82/16/74/386821674.db2.gz JUAOPYRWCHPXMO-UKKRHICBSA-N 0 3 215.293 0.245 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H](CO)C1CCCC1 ZINC000336744097 386797792 /nfs/dbraw/zinc/79/77/92/386797792.db2.gz PUVQBPTYFWTYTD-KOLCDFICSA-N 0 3 249.376 0.560 20 0 BCADHN COC(=O)C1(O)CCN(CCCCF)CC1 ZINC000367138452 386798059 /nfs/dbraw/zinc/79/80/59/386798059.db2.gz PNITUNSYGJUBFX-UHFFFAOYSA-N 0 3 233.283 0.736 20 0 BCADHN CC[C@]1(C)COCCN1C[C@@H](O)COC ZINC000340889848 386798537 /nfs/dbraw/zinc/79/85/37/386798537.db2.gz RDKMBZARPJHKTD-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN COCC[C@H](CO)NCc1cnc(C)nc1 ZINC000336761710 386798684 /nfs/dbraw/zinc/79/86/84/386798684.db2.gz KPOVXQUXCLYFAJ-LLVKDONJSA-N 0 3 225.292 0.272 20 0 BCADHN CCN(CC)C(=O)CN1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000330581762 386800190 /nfs/dbraw/zinc/80/01/90/386800190.db2.gz UIVOMHAYOCINKS-NXEZZACHSA-N 0 3 241.335 0.958 20 0 BCADHN C[C@@H](O)CN1CCN(CCCF)[C@H](C)C1 ZINC000192959247 386803202 /nfs/dbraw/zinc/80/32/02/386803202.db2.gz FGENRFCXKWLZHA-GHMZBOCLSA-N 0 3 218.316 0.733 20 0 BCADHN CS[C@H]1CC[C@H]1NCc1cnnn1C ZINC000336671037 386808544 /nfs/dbraw/zinc/80/85/44/386808544.db2.gz YWPOYLYZUBIWOF-BDAKNGLRSA-N 0 3 212.322 0.799 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)CCNC(N)=O ZINC000330653445 386812912 /nfs/dbraw/zinc/81/29/12/386812912.db2.gz JNCRJOIZONSAGR-VIFPVBQESA-N 0 3 242.323 0.011 20 0 BCADHN CCn1nncc1CNC[C@H](C1CC1)N(C)C ZINC000417870511 386813951 /nfs/dbraw/zinc/81/39/51/386813951.db2.gz GXMKIOMHFMBVFD-GFCCVEGCSA-N 0 3 237.351 0.728 20 0 BCADHN CCn1nncc1CN[C@@H](CO)CC(C)C ZINC000417871107 386816060 /nfs/dbraw/zinc/81/60/60/386816060.db2.gz JEUBXMVKQIFUSB-SNVBAGLBSA-N 0 3 226.324 0.795 20 0 BCADHN COC[C@@H](C)NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000417959387 386825343 /nfs/dbraw/zinc/82/53/43/386825343.db2.gz DPEAZOSINWQHSI-OPRDCNLKSA-N 0 3 229.324 0.413 20 0 BCADHN COC[C@@H](C)NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000417959386 386825375 /nfs/dbraw/zinc/82/53/75/386825375.db2.gz DPEAZOSINWQHSI-IVZWLZJFSA-N 0 3 229.324 0.413 20 0 BCADHN Cc1ccnc(C(=O)N[C@@H](C)CN(C)C)n1 ZINC000330678516 386828489 /nfs/dbraw/zinc/82/84/89/386828489.db2.gz LZPPLDYJMJUZJC-VIFPVBQESA-N 0 3 222.292 0.465 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC000330689719 386829576 /nfs/dbraw/zinc/82/95/76/386829576.db2.gz AGQOWGPXPRLKSY-JTQLQIEISA-N 0 3 236.319 0.505 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)CC(C)(C)O ZINC000334777740 386830304 /nfs/dbraw/zinc/83/03/04/386830304.db2.gz AOUUCZDBYPEYMW-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN Cc1nocc1CNCCN1CCCOCC1 ZINC000293523422 386830408 /nfs/dbraw/zinc/83/04/08/386830408.db2.gz BFKNSFUBEGZWQY-UHFFFAOYSA-N 0 3 239.319 0.795 20 0 BCADHN CN(C)CC[C@@](C)(O)CNC(=O)CC1CCC1 ZINC000357708775 386831615 /nfs/dbraw/zinc/83/16/15/386831615.db2.gz MNJOHIVTVCXFFB-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN CNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645170382 386834967 /nfs/dbraw/zinc/83/49/67/386834967.db2.gz AIHCIIAPOYAPOU-UHFFFAOYSA-N 0 3 227.308 0.122 20 0 BCADHN COC[C@@H]1CCN(CC(=O)N(C)C(C)C)C1 ZINC000352879059 386835301 /nfs/dbraw/zinc/83/53/01/386835301.db2.gz FNLRMYOYGGIZLP-LLVKDONJSA-N 0 3 228.336 0.822 20 0 BCADHN CCc1nocc1CNCCc1nnnn1C ZINC000645171374 386838296 /nfs/dbraw/zinc/83/82/96/386838296.db2.gz WDSWAAKUZWOQKG-UHFFFAOYSA-N 0 3 236.279 0.093 20 0 BCADHN CS[C@@H]1CC[C@H]1NCC(=O)NCC1CC1 ZINC000425339730 386838550 /nfs/dbraw/zinc/83/85/50/386838550.db2.gz CWMXCMQQRSPOIU-NXEZZACHSA-N 0 3 228.361 0.996 20 0 BCADHN CS[C@@H]1CC[C@H]1N[C@H](CO)c1cnn(C)c1 ZINC000425339420 386838731 /nfs/dbraw/zinc/83/87/31/386838731.db2.gz COGZGHZXGJOFKQ-GMTAPVOTSA-N 0 3 241.360 0.937 20 0 BCADHN CN(Cc1nnc[n-]1)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330245130 386840815 /nfs/dbraw/zinc/84/08/15/386840815.db2.gz XMFHKUPODPOECI-SNVBAGLBSA-N 0 3 249.318 0.390 20 0 BCADHN CN(Cc1nnc[n-]1)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000330245130 386840821 /nfs/dbraw/zinc/84/08/21/386840821.db2.gz XMFHKUPODPOECI-SNVBAGLBSA-N 0 3 249.318 0.390 20 0 BCADHN CN(Cc1nc[nH]n1)C(=O)[C@H]1CCCN1C1CC1 ZINC000330245130 386840826 /nfs/dbraw/zinc/84/08/26/386840826.db2.gz XMFHKUPODPOECI-SNVBAGLBSA-N 0 3 249.318 0.390 20 0 BCADHN CN(Cc1nnc[nH]1)C(=O)[C@H]1CCCN1C1CC1 ZINC000330245130 386840830 /nfs/dbraw/zinc/84/08/30/386840830.db2.gz XMFHKUPODPOECI-SNVBAGLBSA-N 0 3 249.318 0.390 20 0 BCADHN Cn1cnc(NC(=O)C2CCN(C3CC3)CC2)n1 ZINC000293573708 386840983 /nfs/dbraw/zinc/84/09/83/386840983.db2.gz DVCNQBVFISXFTP-UHFFFAOYSA-N 0 3 249.318 0.628 20 0 BCADHN CCN(CC)CC(=O)N1CCNC[C@@H]1C ZINC000125398966 386840878 /nfs/dbraw/zinc/84/08/78/386840878.db2.gz CQLZIPBKTWVUKY-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN CC(C)N(C)CC(=O)N1CCNC[C@@H]1C ZINC000125410404 386841791 /nfs/dbraw/zinc/84/17/91/386841791.db2.gz YNJSSODKUHQUQQ-JTQLQIEISA-N 0 3 213.325 0.147 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2N)C[C@H](C)O1 ZINC000331363061 386844604 /nfs/dbraw/zinc/84/46/04/386844604.db2.gz ABGJFLWZAFAXDZ-QEYWKRMJSA-N 0 3 212.293 0.360 20 0 BCADHN CC(C)N(C)CC(=O)N1CCNC[C@@H]1C(F)F ZINC000367283062 386848947 /nfs/dbraw/zinc/84/89/47/386848947.db2.gz RHEUXCIZJPDFND-SECBINFHSA-N 0 3 249.305 0.392 20 0 BCADHN C[C@H](N[C@@H]1CN(C2CC2)C[C@@H]1C)C(=O)N(C)C ZINC000357829440 386850131 /nfs/dbraw/zinc/85/01/31/386850131.db2.gz BTEXOGCJSCYXLH-JBLDHEPKSA-N 0 3 239.363 0.535 20 0 BCADHN C[C@@H](CCO)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331751018 386891694 /nfs/dbraw/zinc/89/16/94/386891694.db2.gz GMJILGFZKHZPQB-UWVGGRQHSA-N 0 3 241.335 0.293 20 0 BCADHN C[C@@H](CNC(=O)CC(C)(C)O)N(C)C1CC1 ZINC000331750954 386892365 /nfs/dbraw/zinc/89/23/65/386892365.db2.gz KAZXMFXHJJQASN-VIFPVBQESA-N 0 3 228.336 0.746 20 0 BCADHN Cc1cnn(C)c1CNCCC[S@](C)=O ZINC000336744428 386854881 /nfs/dbraw/zinc/85/48/81/386854881.db2.gz ZJHRZXJNFKSSJE-HNNXBMFYSA-N 0 3 229.349 0.587 20 0 BCADHN C[C@H](C(=O)NC1CC1)N(C)C[C@@H]1CCC[C@H]1O ZINC000331457245 386855643 /nfs/dbraw/zinc/85/56/43/386855643.db2.gz KDSFULJPEWJGIG-JFGNBEQYSA-N 0 3 240.347 0.746 20 0 BCADHN Cc1ccnc(C(=O)N(C)CCN2CCCC2)n1 ZINC000349510631 386855824 /nfs/dbraw/zinc/85/58/24/386855824.db2.gz TYWSSMBFLPHJPN-UHFFFAOYSA-N 0 3 248.330 0.953 20 0 BCADHN CO[C@H](C(=O)N1CCC[C@@H](N(C)C)C1)C1CC1 ZINC000349510543 386856112 /nfs/dbraw/zinc/85/61/12/386856112.db2.gz SOUSDFFVNMPIHR-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@@H](N)C1CCC1 ZINC000331447318 386856745 /nfs/dbraw/zinc/85/67/45/386856745.db2.gz GGILOQRZVQDOTM-SRVKXCTJSA-N 0 3 240.347 0.733 20 0 BCADHN C[C@H](C(=O)NC[C@]1(O)CCN(C)C1)C1CCC1 ZINC000331477548 386857800 /nfs/dbraw/zinc/85/78/00/386857800.db2.gz LEADBHCMHSLCGR-GXFFZTMASA-N 0 3 240.347 0.605 20 0 BCADHN CCC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CCO1 ZINC000331471835 386858402 /nfs/dbraw/zinc/85/84/02/386858402.db2.gz WEXOGRFBRYEXKA-BBBLOLIVSA-N 0 3 212.293 0.361 20 0 BCADHN CC[C@]1(CO)CCCN(CCn2cncn2)C1 ZINC000330701913 386858430 /nfs/dbraw/zinc/85/84/30/386858430.db2.gz HSONPQYYSHNSHS-LBPRGKRZSA-N 0 3 238.335 0.763 20 0 BCADHN O=C(CO)NC[C@@H]1CCCCN1C1CC1 ZINC000331461369 386858502 /nfs/dbraw/zinc/85/85/02/386858502.db2.gz KPGRSCKNXFLSKT-JTQLQIEISA-N 0 3 212.293 0.112 20 0 BCADHN O=C1CC[C@@H](NCc2c[nH]cn2)[C@H](C2CC2)N1 ZINC000341241841 386859332 /nfs/dbraw/zinc/85/93/32/386859332.db2.gz ZZMABBJMGAXAHW-PWSUYJOCSA-N 0 3 234.303 0.557 20 0 BCADHN O=C1CC[C@@H](NCc2cnc[nH]2)[C@H](C2CC2)N1 ZINC000341241841 386859337 /nfs/dbraw/zinc/85/93/37/386859337.db2.gz ZZMABBJMGAXAHW-PWSUYJOCSA-N 0 3 234.303 0.557 20 0 BCADHN CC(C)(C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C[C@H]1O ZINC000331493273 386860396 /nfs/dbraw/zinc/86/03/96/386860396.db2.gz YPELOLMTZZVIDT-VPOLOUISSA-N 0 3 240.347 0.589 20 0 BCADHN CN(C[C@H]1CCCN1C)[C@@H]1CCCNC1=O ZINC000334793349 386861162 /nfs/dbraw/zinc/86/11/62/386861162.db2.gz ZYCDHGSMUSZNLM-GHMZBOCLSA-N 0 3 225.336 0.291 20 0 BCADHN C[C@]1(C(=O)N2CCN3CCC[C@H]3C2)CCOC1 ZINC000335744323 386862894 /nfs/dbraw/zinc/86/28/94/386862894.db2.gz QSRCXPQLGCXHPE-AAEUAGOBSA-N 0 3 238.331 0.720 20 0 BCADHN CCS(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000335744741 386864903 /nfs/dbraw/zinc/86/49/03/386864903.db2.gz AFQZJDQDJNDFKN-QWRGUYRKSA-N 0 3 246.376 0.895 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1[C@@H]2COC[C@@H]21)N(C)C ZINC000357921511 386864946 /nfs/dbraw/zinc/86/49/46/386864946.db2.gz ANANLHMTRYONDF-QCLAVDOMSA-N 0 3 212.293 0.088 20 0 BCADHN CN(CC(=O)NC1CC1)C1CCOCC1 ZINC000349544658 386867626 /nfs/dbraw/zinc/86/76/26/386867626.db2.gz MQPJWKIBEACFAC-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H](OC)C1CC1 ZINC000349545721 386869017 /nfs/dbraw/zinc/86/90/17/386869017.db2.gz MUMALCYIEGXPDU-NSHDSACASA-N 0 3 244.335 0.106 20 0 BCADHN CCN(CCNC(=O)[C@@H]1COCCO1)C1CC1 ZINC000331568717 386869374 /nfs/dbraw/zinc/86/93/74/386869374.db2.gz UCJKDUQVBUVDQB-NSHDSACASA-N 0 3 242.319 0.002 20 0 BCADHN C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@H](C)O ZINC000335748598 386872709 /nfs/dbraw/zinc/87/27/09/386872709.db2.gz AOBLFGJPVUQFOE-ZJUUUORDSA-N 0 3 228.336 0.556 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000052009226 386873491 /nfs/dbraw/zinc/87/34/91/386873491.db2.gz NUMPUVUHFTUNNS-OPRDCNLKSA-N 0 3 228.336 0.780 20 0 BCADHN Cc1nnsc1CNC(=O)CN(C)C(C)C ZINC000293757843 386875619 /nfs/dbraw/zinc/87/56/19/386875619.db2.gz TZWWXOGIKQTNHF-UHFFFAOYSA-N 0 3 242.348 0.803 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000330744106 386877714 /nfs/dbraw/zinc/87/77/14/386877714.db2.gz CXWQJNVVMMCHOL-BDAKNGLRSA-N 0 3 243.307 0.089 20 0 BCADHN C[C@H](CNC(=O)c1csc(=O)[n-]1)C[NH+](C)C ZINC000341288170 386880072 /nfs/dbraw/zinc/88/00/72/386880072.db2.gz NWOOTKJWOVHBSY-SSDOTTSWSA-N 0 3 243.332 0.776 20 0 BCADHN C[C@@H](C(=O)NC[C@]1(O)CCN(C)C1)C(C)(C)C ZINC000358053919 386885872 /nfs/dbraw/zinc/88/58/72/386885872.db2.gz WQFXFKLUWKAUEH-GXFFZTMASA-N 0 3 242.363 0.851 20 0 BCADHN CSC[C@H](C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358061553 386885979 /nfs/dbraw/zinc/88/59/79/386885979.db2.gz GTCOPRNBIQCUJD-GXSJLCMTSA-N 0 3 246.376 0.168 20 0 BCADHN CC[C@H](SC)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358056199 386886797 /nfs/dbraw/zinc/88/67/97/386886797.db2.gz NDRSKMUYQDGBTP-ONGXEEELSA-N 0 3 246.376 0.311 20 0 BCADHN CC[C@]1(C)C[C@@H]1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358075462 386888193 /nfs/dbraw/zinc/88/81/93/386888193.db2.gz SYTVMTJXHCXJET-RTXFEEFZSA-N 0 3 240.347 0.605 20 0 BCADHN Cc1cnn(C)c1CNCC[C@H](C)[S@@](C)=O ZINC000336739377 386889509 /nfs/dbraw/zinc/88/95/09/386889509.db2.gz LEKLONQYFPOKGJ-MGPLVRAMSA-N 0 3 243.376 0.975 20 0 BCADHN C[C@@]1(C(N)=O)CCN(CC(=O)NC2CC2)C1 ZINC000331833489 386913913 /nfs/dbraw/zinc/91/39/13/386913913.db2.gz FBVKEIUCAJRNQU-LLVKDONJSA-N 0 3 225.292 0.512 20 0 BCADHN COC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)OC ZINC000358227796 386915849 /nfs/dbraw/zinc/91/58/49/386915849.db2.gz ILPMDNZCSICSIH-MNOVXSKESA-N 0 3 246.351 0.350 20 0 BCADHN Cn1c2ccc(CN[C@@H]3CC[C@H]3O)cc2oc1=O ZINC000425358622 386915919 /nfs/dbraw/zinc/91/59/19/386915919.db2.gz QVEYUWCOZINKSG-MWLCHTKSSA-N 0 3 248.282 0.744 20 0 BCADHN CN1C[C@@H]2CCCN(Cc3cnnn3C)[C@@H]2C1 ZINC000425362067 386916750 /nfs/dbraw/zinc/91/67/50/386916750.db2.gz ZQYWPUXXJFHGQA-CMPLNLGQSA-N 0 3 235.335 0.341 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2(C)COC2)CN1C1CC1 ZINC000335771315 386917323 /nfs/dbraw/zinc/91/73/23/386917323.db2.gz IZADWFXHNDNLJG-NXEZZACHSA-N 0 3 238.331 0.764 20 0 BCADHN CC(C)[C@H](O)CN1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000367924177 386917964 /nfs/dbraw/zinc/91/79/64/386917964.db2.gz BPEUKRBSLYKYPU-UPJWGTAASA-N 0 3 243.347 0.883 20 0 BCADHN CN1CCC(Nc2ccncc2C(N)=O)CC1 ZINC000302240573 386919148 /nfs/dbraw/zinc/91/91/48/386919148.db2.gz XLEXASUQAUJNPC-UHFFFAOYSA-N 0 3 234.303 0.687 20 0 BCADHN C[C@@H]1OCC[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000334848360 386895974 /nfs/dbraw/zinc/89/59/74/386895974.db2.gz LJTTXKJBJJSBKL-QWRGUYRKSA-N 0 3 238.331 0.908 20 0 BCADHN CCn1nncc1CN[C@@H]1CCCN(C)[C@H]1C ZINC000418011264 386897050 /nfs/dbraw/zinc/89/70/50/386897050.db2.gz USASOVQZLQUVFR-CMPLNLGQSA-N 0 3 237.351 0.870 20 0 BCADHN Cn1ccnc1CN1CCC[C@H](c2nc[nH]n2)C1 ZINC000331768237 386897147 /nfs/dbraw/zinc/89/71/47/386897147.db2.gz CQDXCYHZOMGPIP-JTQLQIEISA-N 0 3 246.318 0.918 20 0 BCADHN CCC[C@H](C(=O)N(CC)C[C@H](C)O)N(C)C ZINC000341376455 386897354 /nfs/dbraw/zinc/89/73/54/386897354.db2.gz ACVOBHPGZKLNFN-WDEREUQCSA-N 0 3 230.352 0.946 20 0 BCADHN FC1(F)CCNC[C@@H]1NC[C@H]1CCCOC1 ZINC000334849724 386897801 /nfs/dbraw/zinc/89/78/01/386897801.db2.gz ZIYJCEXRRLKRHK-ZJUUUORDSA-N 0 3 234.290 1.000 20 0 BCADHN CC[C@@H](C)N(C)CCNS(=O)(=O)NC1CC1 ZINC000331765543 386897954 /nfs/dbraw/zinc/89/79/54/386897954.db2.gz OPLLWNLFXIABIT-SECBINFHSA-N 0 3 249.380 0.303 20 0 BCADHN CC(C)[C@]1(C)C[C@H]1NC(=O)C(C)S(C)(=O)=O ZINC000331765510 386897990 /nfs/dbraw/zinc/89/79/90/386897990.db2.gz OOSDJAUXWOFQJB-NGZCFLSTSA-N 0 3 247.360 0.970 20 0 BCADHN CC[C@@H](C(=O)N1CCN(C)C[C@@H]1C)N(C)C ZINC000335760904 386898117 /nfs/dbraw/zinc/89/81/17/386898117.db2.gz SWGOYPXHQUUMSQ-QWRGUYRKSA-N 0 3 227.352 0.489 20 0 BCADHN CC(C)[C@@H]1CCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000335761352 386900273 /nfs/dbraw/zinc/90/02/73/386900273.db2.gz QTSATSLULVDREL-NXEZZACHSA-N 0 3 247.360 0.924 20 0 BCADHN C[C@@H](C(=O)N1CC(CO)C1)N1[C@H](C)CC[C@H]1C ZINC000166400974 386901512 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386966522 /nfs/dbraw/zinc/96/65/22/386966522.db2.gz JKDODDZEEJBPIF-PRJMDXOYSA-N 0 3 235.278 0.889 20 0 BCADHN Cc1[nH]ccc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368371656 386966633 /nfs/dbraw/zinc/96/66/33/386966633.db2.gz WXRZKCHCQQNLIY-IUCAKERBSA-N 0 3 225.267 0.753 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC1(CO)CCCC1 ZINC000358500522 386966669 /nfs/dbraw/zinc/96/66/69/386966669.db2.gz MVMAYBRHYSPHAK-SNVBAGLBSA-N 0 3 243.351 0.541 20 0 BCADHN CCC[C@@H](O)CNC(=O)N[C@@H](C)CN(C)C ZINC000358501039 386966952 /nfs/dbraw/zinc/96/69/52/386966952.db2.gz NGJDTPZVPDXDOZ-VHSXEESVSA-N 0 3 231.340 0.397 20 0 BCADHN O=C(CC[C@@H]1CCOC1)NC[C@@H]1C[C@H](F)CN1 ZINC000368371227 386967808 /nfs/dbraw/zinc/96/78/08/386967808.db2.gz UHAZLPLOLLNPIP-VWYCJHECSA-N 0 3 244.310 0.619 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)C(N)C(F)(F)F ZINC000352922631 386967967 /nfs/dbraw/zinc/96/79/67/386967967.db2.gz PLKAVSMAGUYIFK-NKWVEPMBSA-N 0 3 242.241 0.399 20 0 BCADHN CC[C@@H](C(=O)N1CCN(CC)C[C@H]1C)N(C)C ZINC000341826327 386969050 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387017560 /nfs/dbraw/zinc/01/75/60/387017560.db2.gz GNRPQHWEEOEVNC-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN COC(=O)CCN1CC[C@H](n2cncn2)C1 ZINC000368881650 387017590 /nfs/dbraw/zinc/01/75/90/387017590.db2.gz GRGCZVNSSKVCFK-VIFPVBQESA-N 0 3 224.264 0.088 20 0 BCADHN CC(C)[C@H](CCO)NCC(=O)NCC1CCC1 ZINC000358817458 387017714 /nfs/dbraw/zinc/01/77/14/387017714.db2.gz ZJSHPGWAJLBEFP-LBPRGKRZSA-N 0 3 242.363 0.899 20 0 BCADHN COC(=O)CCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368976574 387021490 /nfs/dbraw/zinc/02/14/90/387021490.db2.gz XKDBRJZJHHQVKA-IQJOONFLSA-N 0 3 240.303 0.135 20 0 BCADHN CCN(C(=O)CN(C)C(C)C)[C@H](C)CO ZINC000358840554 387022068 /nfs/dbraw/zinc/02/20/68/387022068.db2.gz SUBHQRQPNBMMDP-SNVBAGLBSA-N 0 3 216.325 0.556 20 0 BCADHN CC[C@@H](C(=O)N1CC(O)(C2CC2)C1)N(C)C ZINC000368991705 387023692 /nfs/dbraw/zinc/02/36/92/387023692.db2.gz UORNUEMVCHLQKP-JTQLQIEISA-N 0 3 226.320 0.310 20 0 BCADHN O=C1NC[C@]2(CCCN(C[C@H]3CCCO3)C2)O1 ZINC000369030938 387024202 /nfs/dbraw/zinc/02/42/02/387024202.db2.gz NJPHOZXPPQLBFA-PWSUYJOCSA-N 0 3 240.303 0.740 20 0 BCADHN CS[C@H]1CC[C@@H]1N[C@H]1CCCNC1=O ZINC000425366637 387024625 /nfs/dbraw/zinc/02/46/25/387024625.db2.gz GDIVOGNUXFBGPW-CIUDSAMLSA-N 0 3 214.334 0.749 20 0 BCADHN N[C@H](C(=O)NCc1nccs1)C1CCC1 ZINC000398944301 387026665 /nfs/dbraw/zinc/02/66/65/387026665.db2.gz ABQKTPOTEXOVHV-VIFPVBQESA-N 0 3 225.317 0.887 20 0 BCADHN CC(C)(O)[C@@H]1CCCN1CC(=O)N1CCC1 ZINC000334884668 387027129 /nfs/dbraw/zinc/02/71/29/387027129.db2.gz OLRCHRDZGCIINA-JTQLQIEISA-N 0 3 226.320 0.454 20 0 BCADHN CC(C)(O)[C@H]1CCCN1CC(=O)N1CCC1 ZINC000334884669 387027878 /nfs/dbraw/zinc/02/78/78/387027878.db2.gz OLRCHRDZGCIINA-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@H]1CC[C@@H](CNC(=O)N2CCCNCC2)O1 ZINC000334951702 387028521 /nfs/dbraw/zinc/02/85/21/387028521.db2.gz MSQHWTDBXLMJJW-QWRGUYRKSA-N 0 3 241.335 0.559 20 0 BCADHN C[C@@H]1CC[C@H](CNC(=O)N2CCCNCC2)O1 ZINC000334951700 387029463 /nfs/dbraw/zinc/02/94/63/387029463.db2.gz MSQHWTDBXLMJJW-GHMZBOCLSA-N 0 3 241.335 0.559 20 0 BCADHN C[NH+](C)[C@H](CN=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000358894676 387029692 /nfs/dbraw/zinc/02/96/92/387029692.db2.gz JSZCSTPERHFTFP-SNVBAGLBSA-N 0 3 246.318 0.479 20 0 BCADHN CCn1nncc1CN[C@@H](CO)CC1CCC1 ZINC000418039076 387071294 /nfs/dbraw/zinc/07/12/94/387071294.db2.gz ZMMLEMGRDMZVFU-LLVKDONJSA-N 0 3 238.335 0.939 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N1CC(C)(C)C[C@@H]1C ZINC000334983606 387071964 /nfs/dbraw/zinc/07/19/64/387071964.db2.gz CUMRIFOVNPVROI-BDAKNGLRSA-N 0 3 241.335 0.097 20 0 BCADHN CS[C@@H]1CCN([C@H]2CCCNC2=O)C1 ZINC000336237042 387073339 /nfs/dbraw/zinc/07/33/39/387073339.db2.gz HVALDNYAUQENLA-BDAKNGLRSA-N 0 3 214.334 0.702 20 0 BCADHN CC[C@@H](O)CNC(=O)N[C@@H]1CCN(CC)C1 ZINC000645550541 387130376 /nfs/dbraw/zinc/13/03/76/387130376.db2.gz LTBZHRCYCKTIAO-NXEZZACHSA-N 0 3 229.324 0.151 20 0 BCADHN COC(CN1CCC[C@H]2OCC[C@H]21)OC ZINC000369876883 387075697 /nfs/dbraw/zinc/07/56/97/387075697.db2.gz DPRJTEWOGHVVOA-NXEZZACHSA-N 0 3 215.293 0.859 20 0 BCADHN C[C@@H]1CN(Cc2cccnc2)[C@@H](C)CN1CCO ZINC000418121207 387077826 /nfs/dbraw/zinc/07/78/26/387077826.db2.gz WZQUUWKSPLYHIC-OLZOCXBDSA-N 0 3 249.358 0.969 20 0 BCADHN C[C@H]1CN(Cc2cccnc2)[C@@H](C)CN1CCO ZINC000418121209 387078023 /nfs/dbraw/zinc/07/80/23/387078023.db2.gz WZQUUWKSPLYHIC-STQMWFEESA-N 0 3 249.358 0.969 20 0 BCADHN C[C@H](CNC(=O)[C@H]1[C@H](C)C1(F)F)N(C)C ZINC000359287422 387079674 /nfs/dbraw/zinc/07/96/74/387079674.db2.gz AOUNNLBXAYZLSQ-GJMOJQLCSA-N 0 3 220.263 0.954 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)N[C@H]1CCOC1 ZINC000228152926 387079801 /nfs/dbraw/zinc/07/98/01/387079801.db2.gz RDJWGQUTFPBMEH-ZJUUUORDSA-N 0 3 239.319 0.311 20 0 BCADHN COCC[C@H](C)NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000417427891 387080288 /nfs/dbraw/zinc/08/02/88/387080288.db2.gz RELPGBASJRLGLJ-GARJFASQSA-N 0 3 243.351 0.803 20 0 BCADHN CC(C)(C)NC(=O)CN1C[C@H]2CCC[C@@H](C1)N2 ZINC000334990989 387081152 /nfs/dbraw/zinc/08/11/52/387081152.db2.gz UAZIEPPRWQQSEO-PHIMTYICSA-N 0 3 239.363 0.727 20 0 BCADHN CC(C)NC(=O)CN1C[C@H]2CCC[C@@H](C1)N2 ZINC000334991052 387081185 /nfs/dbraw/zinc/08/11/85/387081185.db2.gz XTBZEBBIWIAVBI-PHIMTYICSA-N 0 3 225.336 0.337 20 0 BCADHN CN(C)CCSCC(=O)NC1CCOCC1 ZINC000359297384 387081458 /nfs/dbraw/zinc/08/14/58/387081458.db2.gz CXEHCIVKLOZSHM-UHFFFAOYSA-N 0 3 246.376 0.576 20 0 BCADHN CCCCN(C)CCNC(=O)Cn1cccn1 ZINC000352381634 387130735 /nfs/dbraw/zinc/13/07/35/387130735.db2.gz DJDIGHYVYRWUGS-UHFFFAOYSA-N 0 3 238.335 0.731 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@H]1CCC[C@H]1O ZINC000228326404 387081900 /nfs/dbraw/zinc/08/19/00/387081900.db2.gz MQHLLDNAHBJIGP-OUAUKWLOSA-N 0 3 228.336 0.781 20 0 BCADHN CO[C@@H](C(=O)NCCN1CCCC1)C(C)C ZINC000352331010 387085127 /nfs/dbraw/zinc/08/51/27/387085127.db2.gz LXCYZTDDSQCMDQ-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1ccncc1NC(=O)[C@@H]1C[C@H](O)CN1 ZINC000070959289 387085206 /nfs/dbraw/zinc/08/52/06/387085206.db2.gz DHJKOCCTYVXDDA-IUCAKERBSA-N 0 3 221.260 0.051 20 0 BCADHN C[C@H]1CCC[C@H](C)N1CCN1C(=O)CNC1=O ZINC000066531592 387087766 /nfs/dbraw/zinc/08/77/66/387087766.db2.gz XGJIFYZOAIQPGH-UWVGGRQHSA-N 0 3 239.319 0.801 20 0 BCADHN O=C(NC1CCN(C2CC2)CC1)[C@H]1CCOC1 ZINC000066898884 387091415 /nfs/dbraw/zinc/09/14/15/387091415.db2.gz UGFYJRPFRVSVJY-JTQLQIEISA-N 0 3 238.331 0.766 20 0 BCADHN CO[C@H](C(=O)NC[C@H](C)N(C)C)C(C)C ZINC000352343677 387092552 /nfs/dbraw/zinc/09/25/52/387092552.db2.gz RAHPDIYGSWJTSV-UWVGGRQHSA-N 0 3 216.325 0.724 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCc1nc(C)no1 ZINC000228450155 387092901 /nfs/dbraw/zinc/09/29/01/387092901.db2.gz TWQITZDIUGYCHE-SECBINFHSA-N 0 3 240.307 0.554 20 0 BCADHN CO[C@@H](C(=O)NC[C@H](C)N(C)C)C(C)C ZINC000352343678 387092998 /nfs/dbraw/zinc/09/29/98/387092998.db2.gz RAHPDIYGSWJTSV-VHSXEESVSA-N 0 3 216.325 0.724 20 0 BCADHN CN(CCNC(=O)NCC(F)(F)F)C1CC1 ZINC000066887898 387093609 /nfs/dbraw/zinc/09/36/09/387093609.db2.gz STRNQBMAWTXURN-UHFFFAOYSA-N 0 3 239.241 0.942 20 0 BCADHN CC(=O)N1CCN(CC[C@@H](C)O)C(C)(C)C1 ZINC000336263814 387096964 /nfs/dbraw/zinc/09/69/64/387096964.db2.gz CUGLQNLKMRTYTE-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN CC(C)(C)OCCN1C[C@@H](O)C[C@H]1CO ZINC000186485761 387097867 /nfs/dbraw/zinc/09/78/67/387097867.db2.gz HWFDQAXPJWCYSZ-UWVGGRQHSA-N 0 3 217.309 0.229 20 0 BCADHN CCN(CC)CC(=O)NC1CC[NH+](C)CC1 ZINC000068012706 387099619 /nfs/dbraw/zinc/09/96/19/387099619.db2.gz HSBAHTQGGWJUBZ-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN CCN(CC)CC(=O)NC1CCN(C)CC1 ZINC000068012706 387099626 /nfs/dbraw/zinc/09/96/26/387099626.db2.gz HSBAHTQGGWJUBZ-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN C[C@@H]1CCNC[C@H]1NS(=O)(=O)C1(C)CC1 ZINC000335007358 387100621 /nfs/dbraw/zinc/10/06/21/387100621.db2.gz PKKJPZJWNQTUEE-RKDXNWHRSA-N 0 3 232.349 0.456 20 0 BCADHN CCN(C)C(=O)CNC(=O)[C@H](C(C)C)N(C)C ZINC000359452974 387104414 /nfs/dbraw/zinc/10/44/14/387104414.db2.gz CKGFPVIUSMTKQM-NSHDSACASA-N 0 3 243.351 0.167 20 0 BCADHN CS[C@@H]1CCN([C@H](C)C(=O)N(C)C)C1 ZINC000336273321 387106661 /nfs/dbraw/zinc/10/66/61/387106661.db2.gz LJQNBFPKXDVWET-RKDXNWHRSA-N 0 3 216.350 0.900 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)[NH3+])o1 ZINC000335011206 387107497 /nfs/dbraw/zinc/10/74/97/387107497.db2.gz UWBUKVPDKLWANR-JGVFFNPUSA-N 0 3 232.305 0.602 20 0 BCADHN CN(C)CCNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000370295654 387108025 /nfs/dbraw/zinc/10/80/25/387108025.db2.gz XFQLLSAZRRMDML-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C)C1 ZINC000069039667 387109614 /nfs/dbraw/zinc/10/96/14/387109614.db2.gz LJKXJEWKQWSHHO-UWVGGRQHSA-N 0 3 241.335 0.953 20 0 BCADHN COC[C@H]1CCN1C(=O)C12CCCN1CCC2 ZINC000336279915 387110192 /nfs/dbraw/zinc/11/01/92/387110192.db2.gz CQQIMKBHMOTKSE-LLVKDONJSA-N 0 3 238.331 0.862 20 0 BCADHN O=C1NCCC[C@H]1N[C@H]1Cc2cccc(O)c2C1 ZINC000336279321 387110600 /nfs/dbraw/zinc/11/06/00/387110600.db2.gz SOWCDJXLNAPEKT-CMPLNLGQSA-N 0 3 246.310 0.728 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000370365448 387111507 /nfs/dbraw/zinc/11/15/07/387111507.db2.gz FVZZHGAYRMOWAP-TUAOUCFPSA-N 0 3 240.347 0.855 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000370368162 387111609 /nfs/dbraw/zinc/11/16/09/387111609.db2.gz RZFRVRXUXOOUHI-TUAOUCFPSA-N 0 3 240.347 0.999 20 0 BCADHN CCCN(C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000069090744 387113765 /nfs/dbraw/zinc/11/37/65/387113765.db2.gz ONVAVJDMBCBETM-UHFFFAOYSA-N 0 3 238.335 0.720 20 0 BCADHN CC(C)n1cc(CNCCc2ncn(C)n2)cn1 ZINC000228781940 387114290 /nfs/dbraw/zinc/11/42/90/387114290.db2.gz RSCYXKMVBDHYBW-UHFFFAOYSA-N 0 3 248.334 0.925 20 0 BCADHN CCCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000367146882 387115519 /nfs/dbraw/zinc/11/55/19/387115519.db2.gz CZBQGZPGTYWLLS-NSHDSACASA-N 0 3 225.336 0.293 20 0 BCADHN COC[C@H](O)CN[C@@H](CO)c1cccc(F)c1 ZINC000359521550 387115552 /nfs/dbraw/zinc/11/55/52/387115552.db2.gz NROZZVSLILPDHG-NEPJUHHUSA-N 0 3 243.278 0.456 20 0 BCADHN CN(C)C(=O)CN1CCc2ccccc2[C@@H]1CN ZINC000069311775 387116190 /nfs/dbraw/zinc/11/61/90/387116190.db2.gz HIEXWXVFBYRLTA-ZDUSSCGKSA-N 0 3 247.342 0.633 20 0 BCADHN COC[C@H](O)CN[C@H](CO)c1cccc(F)c1 ZINC000359521564 387116689 /nfs/dbraw/zinc/11/66/89/387116689.db2.gz NROZZVSLILPDHG-VXGBXAGGSA-N 0 3 243.278 0.456 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@@]2(C)C[C@H]2F)C1 ZINC000424868027 387116832 /nfs/dbraw/zinc/11/68/32/387116832.db2.gz AOHLNYIKPAOOFF-NGZCFLSTSA-N 0 3 214.284 0.945 20 0 BCADHN C[C@@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)N(C)C ZINC000336280249 387116994 /nfs/dbraw/zinc/11/69/94/387116994.db2.gz OHQACLHKFKBODB-MWLCHTKSSA-N 0 3 248.326 0.926 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](CCOC)COC ZINC000359522453 387117223 /nfs/dbraw/zinc/11/72/23/387117223.db2.gz XKSAFTKHSCAVBL-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@]2(C)C[C@H]2F)C1 ZINC000424868026 387117450 /nfs/dbraw/zinc/11/74/50/387117450.db2.gz AOHLNYIKPAOOFF-IQJOONFLSA-N 0 3 214.284 0.945 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000370442478 387117534 /nfs/dbraw/zinc/11/75/34/387117534.db2.gz VHKSKBFZDOHKAA-PGLGOXFNSA-N 0 3 248.330 0.501 20 0 BCADHN Nc1ccncc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000127454431 387118843 /nfs/dbraw/zinc/11/88/43/387118843.db2.gz GAKNGDSDSCIIMV-SECBINFHSA-N 0 3 246.314 0.630 20 0 BCADHN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)N)CO2 ZINC000119311074 387119420 /nfs/dbraw/zinc/11/94/20/387119420.db2.gz VEGGESNHTNSJAD-PSASIEDQSA-N 0 3 220.272 0.892 20 0 BCADHN CNCC(=O)N1CCc2cccc(OC)c2CC1 ZINC000335027163 387120748 /nfs/dbraw/zinc/12/07/48/387120748.db2.gz PBDOKPNKBLURRS-UHFFFAOYSA-N 0 3 248.326 0.842 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@H](C)[C@@H](C)CO ZINC000228724615 387121620 /nfs/dbraw/zinc/12/16/20/387121620.db2.gz RHXZWIDGPPCJGS-GARJFASQSA-N 0 3 230.352 0.754 20 0 BCADHN O=C(CCN(CCO)C1CC1)N1CCCCC1 ZINC000071956130 387122593 /nfs/dbraw/zinc/12/25/93/387122593.db2.gz JSMJCAOHWYTMKI-UHFFFAOYSA-N 0 3 240.347 0.846 20 0 BCADHN COC[C@H](C)CC(=O)NC[C@](C)(O)CN(C)C ZINC000228757421 387124573 /nfs/dbraw/zinc/12/45/73/387124573.db2.gz JYIUGWVFWHNIME-PWSUYJOCSA-N 0 3 246.351 0.088 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N[C@H](C)[C@@H](C)CO ZINC000228726800 387124651 /nfs/dbraw/zinc/12/46/51/387124651.db2.gz KKYRMKPEFBSQRO-AXFHLTTASA-N 0 3 230.352 0.850 20 0 BCADHN COC[C@@H](C)CC(=O)NC[C@@](C)(O)CN(C)C ZINC000228757395 387124751 /nfs/dbraw/zinc/12/47/51/387124751.db2.gz JYIUGWVFWHNIME-CMPLNLGQSA-N 0 3 246.351 0.088 20 0 BCADHN C[C@@H]1[C@H](C)N(C[C@@H](O)C(F)(F)F)CCN1C ZINC000359568065 387125190 /nfs/dbraw/zinc/12/51/90/387125190.db2.gz BBAXLXRFFYSNHN-HRDYMLBCSA-N 0 3 240.269 0.934 20 0 BCADHN CCS(=O)(=O)C(C)C(=O)NCC(C)C ZINC000071906316 387125134 /nfs/dbraw/zinc/12/51/34/387125134.db2.gz HWYBLYXFGHZZAH-QMMMGPOBSA-N 0 3 221.322 0.582 20 0 BCADHN CO[C@@H](C)CN(C)[C@]1(CO)CCOC1 ZINC000359567843 387125703 /nfs/dbraw/zinc/12/57/03/387125703.db2.gz AUJUZPDSWZVFHX-UWVGGRQHSA-N 0 3 203.282 0.105 20 0 BCADHN CN(CCN1CCCCC1)[C@@]1(CO)CCOC1 ZINC000359568986 387126726 /nfs/dbraw/zinc/12/67/26/387126726.db2.gz CZNSHRVDSZOVIV-CYBMUJFWSA-N 0 3 242.363 0.556 20 0 BCADHN CON(C)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000228908764 387126677 /nfs/dbraw/zinc/12/66/77/387126677.db2.gz OHJQLSHYXXKBMS-VDDIYKPWSA-N 0 3 242.319 0.539 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCCC[C@H](C)C1 ZINC000335030894 387127588 /nfs/dbraw/zinc/12/75/88/387127588.db2.gz UFRWTGRBBSDPEP-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN CCO[C@H](C)C(=O)N(C)CCN(C)C1CC1 ZINC000186734541 387128399 /nfs/dbraw/zinc/12/83/99/387128399.db2.gz BGKVDWLHUYDTPL-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN CN(C)CCN(C)C(=O)COC[C@H]1CCOC1 ZINC000359592054 387128418 /nfs/dbraw/zinc/12/84/18/387128418.db2.gz NGZGUMCKCVKBIE-NSHDSACASA-N 0 3 244.335 0.060 20 0 BCADHN CCO[C@@H](C)C(=O)N(C)CCN(C)C1CC1 ZINC000186734522 387129591 /nfs/dbraw/zinc/12/95/91/387129591.db2.gz BGKVDWLHUYDTPL-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN CCOCC(=O)N(C)CCN(C)C1CC1 ZINC000186742462 387129897 /nfs/dbraw/zinc/12/98/97/387129897.db2.gz FLBVDIXDPBYZBN-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN CC(C)[C@](C)(CO)NC(=O)N[C@@H](C)CN(C)C ZINC000359653867 387142216 /nfs/dbraw/zinc/14/22/16/387142216.db2.gz RAYTUBPDDNBWFS-JQWIXIFHSA-N 0 3 245.367 0.643 20 0 BCADHN C[C@H](O)CN(CCO)C[C@H](O)c1ccccc1 ZINC000290007052 387142210 /nfs/dbraw/zinc/14/22/10/387142210.db2.gz ZKUSIUVHXADLGU-AAEUAGOBSA-N 0 3 239.315 0.395 20 0 BCADHN C[C@@H](CF)NC(=O)NCCN(C)C1CC1 ZINC000353119172 387142825 /nfs/dbraw/zinc/14/28/25/387142825.db2.gz ZEDVWPLUMUGLRL-QMMMGPOBSA-N 0 3 217.288 0.738 20 0 BCADHN Cc1c[nH]nc1CN[C@@H](C)CN1CCOCC1 ZINC000290008456 387143428 /nfs/dbraw/zinc/14/34/28/387143428.db2.gz UGLKOQAOKUGKJI-NSHDSACASA-N 0 3 238.335 0.528 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1CCCC[C@@H]1OC ZINC000353150193 387146275 /nfs/dbraw/zinc/14/62/75/387146275.db2.gz NGGPPRPPZPCRJJ-LPEHRKFASA-N 0 3 230.308 0.034 20 0 BCADHN CC(C)(C)NC(=O)C[C@@H]1CSCCN1 ZINC000085612359 387147615 /nfs/dbraw/zinc/14/76/15/387147615.db2.gz ATQGZOHOIXDELK-MRVPVSSYSA-N 0 3 216.350 0.996 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC[C@H](O)C2(C)C)C1 ZINC000571699425 387148649 /nfs/dbraw/zinc/14/86/49/387148649.db2.gz DLVNFMPCSFVTCM-MNOVXSKESA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CC[C@H](O)C2(C)C)C1 ZINC000571699426 387149153 /nfs/dbraw/zinc/14/91/53/387149153.db2.gz DLVNFMPCSFVTCM-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC[C@@H](O)C2(C)C)C1 ZINC000571699424 387149300 /nfs/dbraw/zinc/14/93/00/387149300.db2.gz DLVNFMPCSFVTCM-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN CC1(CO)CCN(CCN2CCCC2=O)CC1 ZINC000186890909 387150568 /nfs/dbraw/zinc/15/05/68/387150568.db2.gz OWKWTXAJZKXAAE-UHFFFAOYSA-N 0 3 240.347 0.703 20 0 BCADHN CCS(=O)(=O)C(C)C(=O)NC[C@H]1CCCO1 ZINC000359711106 387152281 /nfs/dbraw/zinc/15/22/81/387152281.db2.gz FKBXIAJABMSFFD-RKDXNWHRSA-N 0 3 249.332 0.105 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)Cc1ccc(C)s1 ZINC000353189438 387152688 /nfs/dbraw/zinc/15/26/88/387152688.db2.gz NCQAOGWWYGMXGS-JTQLQIEISA-N 0 3 242.344 0.989 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1cnn(CCF)c1 ZINC000359728458 387157091 /nfs/dbraw/zinc/15/70/91/387157091.db2.gz WWLVSCXEUHRQIL-SECBINFHSA-N 0 3 242.298 0.533 20 0 BCADHN CCOCCCNC(=O)C[C@H]1CSCCN1 ZINC000085612677 387159417 /nfs/dbraw/zinc/15/94/17/387159417.db2.gz SNESEJUTJSPLBN-JTQLQIEISA-N 0 3 246.376 0.624 20 0 BCADHN COCCNCCNC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000418128477 387159714 /nfs/dbraw/zinc/15/97/14/387159714.db2.gz QLWMHBXEQWCNBY-WDEREUQCSA-N 0 3 241.335 0.320 20 0 BCADHN O=C1CNC(=O)N1CCN1CCCC2(CC2)C1 ZINC000186990067 387159918 /nfs/dbraw/zinc/15/99/18/387159918.db2.gz KVVFZBZZIHIJTF-UHFFFAOYSA-N 0 3 237.303 0.414 20 0 BCADHN CO[C@H](C)CN(C)C[C@H](O)COCC(C)C ZINC000353225399 387161195 /nfs/dbraw/zinc/16/11/95/387161195.db2.gz DYLZPTKGUKVDNF-NEPJUHHUSA-N 0 3 233.352 0.987 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)C1(N)CCOCC1 ZINC000229216180 387161505 /nfs/dbraw/zinc/16/15/05/387161505.db2.gz IQOLSHCSKIVUFJ-JTQLQIEISA-N 0 3 244.335 0.018 20 0 BCADHN O=C(C[C@H]1CSCCN1)N1CCCOCC1 ZINC000085614316 387162096 /nfs/dbraw/zinc/16/20/96/387162096.db2.gz MPPRXQOSIWFDDW-JTQLQIEISA-N 0 3 244.360 0.330 20 0 BCADHN O=C(C[C@H]1CSCCN1)NC1CCC1 ZINC000085614155 387162312 /nfs/dbraw/zinc/16/23/12/387162312.db2.gz JFYIBNHAUFLNKI-VIFPVBQESA-N 0 3 214.334 0.750 20 0 BCADHN COCCCCNC(=O)C[C@H]1CSCCN1 ZINC000085614009 387162548 /nfs/dbraw/zinc/16/25/48/387162548.db2.gz GXTPUGWINXIELQ-JTQLQIEISA-N 0 3 246.376 0.624 20 0 BCADHN Cn1ccc(NC(=O)C[C@H]2CSCCN2)n1 ZINC000085613390 387162622 /nfs/dbraw/zinc/16/26/22/387162622.db2.gz UUQUDKHTPJCLLJ-QMMMGPOBSA-N 0 3 240.332 0.454 20 0 BCADHN COC[C@H](C)NC(=O)N(C)CCN(C)C1CC1 ZINC000353237831 387163622 /nfs/dbraw/zinc/16/36/22/387163622.db2.gz OJQWNKRXXYRQTE-JTQLQIEISA-N 0 3 243.351 0.757 20 0 BCADHN CCn1cc([C@H](C)NCCNCCOC)cn1 ZINC000423321786 387165086 /nfs/dbraw/zinc/16/50/86/387165086.db2.gz FZIFKWDKDYZNKK-NSHDSACASA-N 0 3 240.351 0.790 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@H]1C[C@@H](C)CCN1 ZINC000229259716 387165558 /nfs/dbraw/zinc/16/55/58/387165558.db2.gz VFKZPQUKUMFQQQ-GARJFASQSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@@H](Cn1cncn1)NCc1c[nH]nc1C ZINC000353257463 387166686 /nfs/dbraw/zinc/16/66/86/387166686.db2.gz BHLNVPSVHDALAZ-NSHDSACASA-N 0 3 234.307 0.878 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1C[C@H](O)C(C)(C)C1 ZINC000571746409 387168296 /nfs/dbraw/zinc/16/82/96/387168296.db2.gz AZKGDWQJNACLFR-CABZTGNLSA-N 0 3 245.319 0.003 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000367150181 387169315 /nfs/dbraw/zinc/16/93/15/387169315.db2.gz CIHYTHJZAVHCPR-VXGBXAGGSA-N 0 3 240.347 0.700 20 0 BCADHN Cc1ccc(C(=O)NC[C@@H]2CCCN2C)nn1 ZINC000334055155 387170445 /nfs/dbraw/zinc/17/04/45/387170445.db2.gz UOICMTWVNICPEK-JTQLQIEISA-N 0 3 234.303 0.609 20 0 BCADHN CCN(C)C(=O)CCN1CCNC(=O)C[C@@H]1C ZINC000371197135 387171797 /nfs/dbraw/zinc/17/17/97/387171797.db2.gz VPCKGHBSRHEZKJ-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CCSCCN1CCNC(=O)C[C@H]1C ZINC000371206597 387171920 /nfs/dbraw/zinc/17/19/20/387171920.db2.gz ZBGYIBRYUJAASD-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN CCSCCN1CCNC(=O)C[C@@H]1C ZINC000371206598 387172667 /nfs/dbraw/zinc/17/26/67/387172667.db2.gz ZBGYIBRYUJAASD-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN C[C@@H]1CN(C(=O)c2coc(CN)c2)C[C@@H](C)N1 ZINC000187178109 387172900 /nfs/dbraw/zinc/17/29/00/387172900.db2.gz VBCIPSUFXCYKDU-RKDXNWHRSA-N 0 3 237.303 0.561 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NCC(F)(F)CN ZINC000423329023 387173688 /nfs/dbraw/zinc/17/36/88/387173688.db2.gz BCQNVWLGXVSHRZ-SCZZXKLOSA-N 0 3 233.306 0.653 20 0 BCADHN CCN(CC)CC(=O)NC[C@]1(O)CCC[C@H]1C ZINC000359838903 387174337 /nfs/dbraw/zinc/17/43/37/387174337.db2.gz WSSRSKUCFNPGDC-DGCLKSJQSA-N 0 3 242.363 0.996 20 0 BCADHN CCN(C)CCNC(=O)NC1CCC(O)CC1 ZINC000194795202 387174764 /nfs/dbraw/zinc/17/47/64/387174764.db2.gz NYLVAQKQSSNZCI-UHFFFAOYSA-N 0 3 243.351 0.541 20 0 BCADHN OCCN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000120048902 387176284 /nfs/dbraw/zinc/17/62/84/387176284.db2.gz QWRPRLRMFWZRDT-LLVKDONJSA-N 0 3 229.320 0.496 20 0 BCADHN CCN(C)CCNC(=O)[C@@](C)(O)C(C)C ZINC000353312120 387177645 /nfs/dbraw/zinc/17/76/45/387177645.db2.gz IMQPMQIPFGLFIO-NSHDSACASA-N 0 3 216.325 0.461 20 0 BCADHN C[C@@H](C(N)=O)N(C)CC1(O)CCCCCC1 ZINC000187320941 387180807 /nfs/dbraw/zinc/18/08/07/387180807.db2.gz VVINNTDPVYXSBP-JTQLQIEISA-N 0 3 228.336 0.877 20 0 BCADHN CN(CC1(O)CCCCCC1)[C@@H]1CCNC1=O ZINC000187360144 387181666 /nfs/dbraw/zinc/18/16/66/387181666.db2.gz XKYKGGBUXAHUJT-LLVKDONJSA-N 0 3 240.347 0.892 20 0 BCADHN CN(C)C1(CNC(=O)[C@H]2CCOC2)CCC1 ZINC000353336852 387183149 /nfs/dbraw/zinc/18/31/49/387183149.db2.gz OPSLLBCPTSDZKR-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)(C)c1ncc(CNCCO)cn1 ZINC000284323059 387184824 /nfs/dbraw/zinc/18/48/24/387184824.db2.gz KEFNXAHMAJAODD-UHFFFAOYSA-N 0 3 209.293 0.856 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)Cn1cccn1 ZINC000353345318 387185087 /nfs/dbraw/zinc/18/50/87/387185087.db2.gz DYSIENGCBOKAQX-WDEREUQCSA-N 0 3 238.335 0.728 20 0 BCADHN CN(C)CCNC(=O)[C@H](O)Cc1ccccc1 ZINC000353347488 387185761 /nfs/dbraw/zinc/18/57/61/387185761.db2.gz PLWZGMKZWMLCKG-GFCCVEGCSA-N 0 3 236.315 0.268 20 0 BCADHN CC[C@](C)(OC)C(=O)NCCOCCN(C)C ZINC000359937707 387193968 /nfs/dbraw/zinc/19/39/68/387193968.db2.gz WUOXKJFDWJIEAI-LBPRGKRZSA-N 0 3 246.351 0.496 20 0 BCADHN CCOCCC(=O)NCCN1CCCC1 ZINC000077448664 387189452 /nfs/dbraw/zinc/18/94/52/387189452.db2.gz OFEGPPWWUYVDBI-UHFFFAOYSA-N 0 3 214.309 0.625 20 0 BCADHN CC[C@@H](NCCNCCOC)c1ccn(C)n1 ZINC000423342045 387189915 /nfs/dbraw/zinc/18/99/15/387189915.db2.gz UVMRWPROCDADIW-LLVKDONJSA-N 0 3 240.351 0.697 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCc1cscn1 ZINC000352425724 387191611 /nfs/dbraw/zinc/19/16/11/387191611.db2.gz MWZOPMJTPQZQBO-MRVPVSSYSA-N 0 3 242.348 0.892 20 0 BCADHN CN(C)CCN(C)C(=O)c1cnn2ccccc12 ZINC000359597270 387133171 /nfs/dbraw/zinc/13/31/71/387133171.db2.gz RLWIFJHLBLOBRZ-UHFFFAOYSA-N 0 3 246.314 0.968 20 0 BCADHN C[C@@H](CN1CCCCCC1)NS(N)(=O)=O ZINC000186779240 387133887 /nfs/dbraw/zinc/13/38/87/387133887.db2.gz IYVQJJMCENJTOZ-VIFPVBQESA-N 0 3 235.353 0.044 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCC[C@H]1O ZINC000186799534 387137401 /nfs/dbraw/zinc/13/74/01/387137401.db2.gz IRSZOXZELAQXHY-HBNTYKKESA-N 0 3 249.376 0.703 20 0 BCADHN CCCNC(=O)[C@H](C)N(C)CCN(C)C1CC1 ZINC000186794693 387137459 /nfs/dbraw/zinc/13/74/59/387137459.db2.gz OOZMZEKDHSCRDR-NSHDSACASA-N 0 3 241.379 0.927 20 0 BCADHN CS[C@@H]1CN(C(=O)CO)C[C@H]1N1CCCC1 ZINC000336309878 387137652 /nfs/dbraw/zinc/13/76/52/387137652.db2.gz WBCCOQYRCXZVFE-NXEZZACHSA-N 0 3 244.360 0.017 20 0 BCADHN Cn1nncc1CN1CCN2CCC[C@H]2C1 ZINC000371409584 387203136 /nfs/dbraw/zinc/20/31/36/387203136.db2.gz NDKDDCOTYXQDCR-JTQLQIEISA-N 0 3 221.308 0.095 20 0 BCADHN CN(Cc1ccncc1)C(=O)C(N)C(F)(F)F ZINC000353454011 387203831 /nfs/dbraw/zinc/20/38/31/387203831.db2.gz SXWBJIGERXWQMF-MRVPVSSYSA-N 0 3 247.220 0.930 20 0 BCADHN CCOC[C@@H](O)CN1CC2(C1)CCCOC2 ZINC000352438938 387203997 /nfs/dbraw/zinc/20/39/97/387203997.db2.gz SWAORMAVIXMCNO-NSHDSACASA-N 0 3 229.320 0.496 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H](C)c1csc(C)n1 ZINC000353458923 387204945 /nfs/dbraw/zinc/20/49/45/387204945.db2.gz KUQJDFJGYUGVIL-RCOVLWMOSA-N 0 3 243.332 0.602 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000187563722 387204989 /nfs/dbraw/zinc/20/49/89/387204989.db2.gz SYOPBSRDMQSIEV-VXGBXAGGSA-N 0 3 242.363 0.709 20 0 BCADHN CN(C)CCN(C)c1ncnc2n[nH]cc21 ZINC000353458888 387204986 /nfs/dbraw/zinc/20/49/86/387204986.db2.gz LWHXGRWOVRPQRD-UHFFFAOYSA-N 0 3 220.280 0.351 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2[C@H](C)COC[C@@H]2C)C1 ZINC000571941094 387207668 /nfs/dbraw/zinc/20/76/68/387207668.db2.gz YKDKEYGVCSGMCI-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN CCOC[C@H](O)CN1CCOCC2(CCC2)C1 ZINC000353665715 387252727 /nfs/dbraw/zinc/25/27/27/387252727.db2.gz PIOBHIHJYGMLSA-GFCCVEGCSA-N 0 3 243.347 0.886 20 0 BCADHN CC1(C)OCC[C@@H]1N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000336378334 387209127 /nfs/dbraw/zinc/20/91/27/387209127.db2.gz ZFGCBFSZYJNTAD-KOLCDFICSA-N 0 3 238.331 0.907 20 0 BCADHN CN(Cc1cc[nH]n1)C(=O)C(N)C(F)(F)F ZINC000353469865 387210708 /nfs/dbraw/zinc/21/07/08/387210708.db2.gz QKYWENWZCJGKPI-LURJTMIESA-N 0 3 236.197 0.258 20 0 BCADHN CC(C)N(C)CC(=O)N1CCOC[C@@H](C)C1 ZINC000336380879 387211982 /nfs/dbraw/zinc/21/19/82/387211982.db2.gz PTTNUSVAXDYVMD-NSHDSACASA-N 0 3 228.336 0.822 20 0 BCADHN CCCCNC(=O)CCN(C)C1CC(O)C1 ZINC000353480287 387213125 /nfs/dbraw/zinc/21/31/25/387213125.db2.gz IBNSYPXPFOUPLQ-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)C[C@@H]1CCCN1CC(=O)NC(N)=O ZINC000130343883 387213605 /nfs/dbraw/zinc/21/36/05/387213605.db2.gz RKHIKNHAEMSOEF-VIFPVBQESA-N 0 3 227.308 0.692 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CN(C2CC2)C[C@H]1C ZINC000360009862 387213735 /nfs/dbraw/zinc/21/37/35/387213735.db2.gz BLKNLCXADSSCMI-ZYHUDNBSSA-N 0 3 239.363 0.537 20 0 BCADHN COCCNCCNC(=O)N[C@H]1CCC1(C)C ZINC000418192518 387213867 /nfs/dbraw/zinc/21/38/67/387213867.db2.gz BULRQDFJCNBZJX-JTQLQIEISA-N 0 3 243.351 0.710 20 0 BCADHN CSC[C@@H](O)CN1CCCO[C@@H](C)C1 ZINC000187809624 387214422 /nfs/dbraw/zinc/21/44/22/387214422.db2.gz OZWQNOCPCYDDLQ-UWVGGRQHSA-N 0 3 219.350 0.821 20 0 BCADHN COC(=O)CCNC(=O)[C@H](C(C)C)N(C)C ZINC000120242066 387214559 /nfs/dbraw/zinc/21/45/59/387214559.db2.gz VCIMASNAMQSASO-JTQLQIEISA-N 0 3 230.308 0.252 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N(C)CCN(C)C2CC2)CO1 ZINC000353489671 387215163 /nfs/dbraw/zinc/21/51/63/387215163.db2.gz PWFDYBUSWRANSD-MNOVXSKESA-N 0 3 240.347 0.964 20 0 BCADHN Cc1c[nH]c(NC(=O)[C@H]2NCC2(C)C)n1 ZINC000646233823 387215677 /nfs/dbraw/zinc/21/56/77/387215677.db2.gz PIUVOOKWIOBSLN-SSDOTTSWSA-N 0 3 208.265 0.655 20 0 BCADHN COC(=O)CN1CCCN(C2CCC2)CC1 ZINC000371457578 387216319 /nfs/dbraw/zinc/21/63/19/387216319.db2.gz OFRAITCADFYCCS-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN CC[C@@H](CO)N(C)CCNC(=O)NC(C)C ZINC000571997077 387217018 /nfs/dbraw/zinc/21/70/18/387217018.db2.gz RTJJJSCKRCMWTO-JTQLQIEISA-N 0 3 231.340 0.397 20 0 BCADHN CCc1nc(CN2CCN(C)C[C@H]2CC)n[nH]1 ZINC000571995399 387217182 /nfs/dbraw/zinc/21/71/82/387217182.db2.gz KSYITEYTGRNPBT-SNVBAGLBSA-N 0 3 237.351 0.893 20 0 BCADHN C[C@H](N)C(=O)NCc1cccc(NC(N)=O)c1 ZINC000353509845 387218072 /nfs/dbraw/zinc/21/80/72/387218072.db2.gz QPPYKNVSDFPKND-ZETCQYMHSA-N 0 3 236.275 0.141 20 0 BCADHN C[C@@H](NC[C@@H](CO)C1CC1)c1ccc(=O)[nH]n1 ZINC000353510928 387218485 /nfs/dbraw/zinc/21/84/85/387218485.db2.gz OLKOWPCOOQLBTN-SCZZXKLOSA-N 0 3 237.303 0.851 20 0 BCADHN CCC[C@](C)(N)C(=O)NC[C@H](O)[C@H]1CCOC1 ZINC000353663780 387253028 /nfs/dbraw/zinc/25/30/28/387253028.db2.gz NEKKNUDLJCFLMP-NHCYSSNCSA-N 0 3 244.335 0.018 20 0 BCADHN CCn1ncnc1CN1CCN(C)C(C)(C)C1 ZINC000572056461 387225758 /nfs/dbraw/zinc/22/57/58/387225758.db2.gz ZVZGFRRCIUKLHC-UHFFFAOYSA-N 0 3 237.351 0.824 20 0 BCADHN CNC(=O)[C@H](C)NCc1ccc2[nH]cnc2c1 ZINC000572094401 387233908 /nfs/dbraw/zinc/23/39/08/387233908.db2.gz CLHUZPCRWQLSEQ-QMMMGPOBSA-N 0 3 232.287 0.787 20 0 BCADHN CNC(=O)[C@H](C)NCc1ccc2nc[nH]c2c1 ZINC000572094401 387233911 /nfs/dbraw/zinc/23/39/11/387233911.db2.gz CLHUZPCRWQLSEQ-QMMMGPOBSA-N 0 3 232.287 0.787 20 0 BCADHN CC(C)[C@](C)(O)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000353568796 387234202 /nfs/dbraw/zinc/23/42/02/387234202.db2.gz FUYDMYCWSOXQFO-WZRBSPASSA-N 0 3 242.363 0.992 20 0 BCADHN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1cscn1 ZINC000572120040 387239446 /nfs/dbraw/zinc/23/94/46/387239446.db2.gz FVKVNCPIVHQUBS-RQJHMYQMSA-N 0 3 249.361 0.547 20 0 BCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN(C)C ZINC000353613210 387240835 /nfs/dbraw/zinc/24/08/35/387240835.db2.gz DDFAPYHMQQJBQS-LLVKDONJSA-N 0 3 241.335 0.017 20 0 BCADHN CC(C)OCC(=O)NCCOCCN(C)C ZINC000230183475 387242671 /nfs/dbraw/zinc/24/26/71/387242671.db2.gz SDTRCUIRETZFDH-UHFFFAOYSA-N 0 3 232.324 0.106 20 0 BCADHN CC(C)OCC[C@@H](O)CN[C@@H](C)C(=O)N(C)C ZINC000572149926 387244487 /nfs/dbraw/zinc/24/44/87/387244487.db2.gz ZJYCEUPOQATWNN-WDEREUQCSA-N 0 3 246.351 0.229 20 0 BCADHN CN(CCn1cccn1)C(=O)[C@@H](N)C1CCC1 ZINC000423411271 387245286 /nfs/dbraw/zinc/24/52/86/387245286.db2.gz UGSQGBULTJLHSX-NSHDSACASA-N 0 3 236.319 0.469 20 0 BCADHN CNC(=O)CCCN1CCN(C)C[C@@H]1C ZINC000572131867 387246839 /nfs/dbraw/zinc/24/68/39/387246839.db2.gz QQKOZYOQUTWFLM-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN CNC(=O)NC(=O)CN1CCC[C@H]1CC(C)C ZINC000130349508 387247534 /nfs/dbraw/zinc/24/75/34/387247534.db2.gz BVJUDUVNQZZOBL-JTQLQIEISA-N 0 3 241.335 0.953 20 0 BCADHN CNC(=O)NC(=O)CN1CCC[C@@H]1CC(C)C ZINC000130349712 387250414 /nfs/dbraw/zinc/25/04/14/387250414.db2.gz BVJUDUVNQZZOBL-SNVBAGLBSA-N 0 3 241.335 0.953 20 0 BCADHN CO[C@H](CNCc1cncnc1)C1CC1 ZINC000292886129 387253870 /nfs/dbraw/zinc/25/38/70/387253870.db2.gz CMWUVXXCFWYTCN-LLVKDONJSA-N 0 3 207.277 0.991 20 0 BCADHN C[C@H](C(=O)NC1CC1)N(CCO)CC1CC1 ZINC000352491445 387251261 /nfs/dbraw/zinc/25/12/61/387251261.db2.gz QCBKLKCHUPMZKA-SECBINFHSA-N 0 3 226.320 0.358 20 0 BCADHN Cn1ccnc(N2CC[C@@H](N3CCCC3)C2)c1=O ZINC000371805543 387252145 /nfs/dbraw/zinc/25/21/45/387252145.db2.gz NLZMVHSYTUZLLR-LLVKDONJSA-N 0 3 248.330 0.455 20 0 BCADHN CN(CCO)C[C@H]1CCCN1c1cccnn1 ZINC000371805428 387252164 /nfs/dbraw/zinc/25/21/64/387252164.db2.gz LVGTYGVGDQYRIG-LLVKDONJSA-N 0 3 236.319 0.370 20 0 BCADHN C[C@H](CF)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000353393096 387195203 /nfs/dbraw/zinc/19/52/03/387195203.db2.gz FRNQMPLGPADGCM-BDAKNGLRSA-N 0 3 229.299 0.880 20 0 BCADHN Cc1n[nH]cc1CN[C@H](CO)C1CCOCC1 ZINC000359948384 387196833 /nfs/dbraw/zinc/19/68/33/387196833.db2.gz DPPPACLYOFSHHT-GFCCVEGCSA-N 0 3 239.319 0.595 20 0 BCADHN NC(C(=O)NCCc1cccnc1)C(F)(F)F ZINC000353426935 387200204 /nfs/dbraw/zinc/20/02/04/387200204.db2.gz KPPQRXPBRBGKJU-MRVPVSSYSA-N 0 3 247.220 0.630 20 0 BCADHN O=C1NC[C@@H](CN2CC3CCC2CC3)O1 ZINC000371387515 387200780 /nfs/dbraw/zinc/20/07/80/387200780.db2.gz JASXXMCZKQAPBO-RTBKNWGFSA-N 0 3 210.277 0.969 20 0 BCADHN COC[C@@H](O)CCNCc1c(C)cnn1C ZINC000286046897 387309684 /nfs/dbraw/zinc/30/96/84/387309684.db2.gz QYVXXTOEEFNTGP-JTQLQIEISA-N 0 3 227.308 0.216 20 0 BCADHN O=C(COC1CNC1)NCCC(F)(F)F ZINC000261551705 387310280 /nfs/dbraw/zinc/31/02/80/387310280.db2.gz QVTYVRAADBRBTR-UHFFFAOYSA-N 0 3 226.198 0.043 20 0 BCADHN CC[C@H](CNC(=O)NCCN(C)C)OC ZINC000360579264 387311426 /nfs/dbraw/zinc/31/14/26/387311426.db2.gz BQRPGTLAFFLSBG-SECBINFHSA-N 0 3 217.313 0.272 20 0 BCADHN O=C1NC[C@]2(CCCN(CC3CC3)C2)O1 ZINC000372616349 387314576 /nfs/dbraw/zinc/31/45/76/387314576.db2.gz DIBIKPYCXSGFAP-NSHDSACASA-N 0 3 210.277 0.971 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN1CCCOCC1 ZINC000234816659 387319149 /nfs/dbraw/zinc/31/91/49/387319149.db2.gz DHILSUOOXRNJIQ-NWDGAFQWSA-N 0 3 247.335 0.121 20 0 BCADHN CN(C)Cc1ccccc1CNC(=O)CC(N)=O ZINC000354031841 387316093 /nfs/dbraw/zinc/31/60/93/387316093.db2.gz PWIVZAROHAWVAA-UHFFFAOYSA-N 0 3 249.314 0.240 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N1CCc2cncnc2C1 ZINC000353668816 387255839 /nfs/dbraw/zinc/25/58/39/387255839.db2.gz QCAKLXBNXYNWSL-BXKDBHETSA-N 0 3 248.330 0.735 20 0 BCADHN CCC[C@H](N)C(=O)N1CCc2cncnc2C1 ZINC000353669025 387255960 /nfs/dbraw/zinc/25/59/60/387255960.db2.gz RIUVDQBAXYWTNI-JTQLQIEISA-N 0 3 234.303 0.489 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCC[C@H](C2CC2)C1 ZINC000336428019 387256805 /nfs/dbraw/zinc/25/68/05/387256805.db2.gz AUSCUWMFSCUGQC-SCZZXKLOSA-N 0 3 239.319 0.692 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000336427665 387257361 /nfs/dbraw/zinc/25/73/61/387257361.db2.gz MFZXEFOKRLLQNB-CABZTGNLSA-N 0 3 239.319 0.902 20 0 BCADHN c1c[nH]c(N2CCN(CCn3ccnc3)CC2)n1 ZINC000572175209 387257886 /nfs/dbraw/zinc/25/78/86/387257886.db2.gz BWWBRXISSGNCNP-UHFFFAOYSA-N 0 3 246.318 0.428 20 0 BCADHN Cc1ncc(CN[C@@]2(C)CCOC2)n1C ZINC000572180073 387258763 /nfs/dbraw/zinc/25/87/63/387258763.db2.gz MVEOXZBPBGXSBJ-NSHDSACASA-N 0 3 209.293 0.997 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](C)COCCOC ZINC000353719065 387262425 /nfs/dbraw/zinc/26/24/25/387262425.db2.gz AHLNHDKRLZZFMN-ZYHUDNBSSA-N 0 3 246.351 0.672 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H](C)COCCOC ZINC000353721882 387265475 /nfs/dbraw/zinc/26/54/75/387265475.db2.gz FOWMIBORKDFMDA-UWVGGRQHSA-N 0 3 232.324 0.282 20 0 BCADHN COC(=O)[C@H](CNC(=O)C1(N)CC1)CC(C)C ZINC000353724989 387266100 /nfs/dbraw/zinc/26/61/00/387266100.db2.gz OKEGSNYIQDVPCN-VIFPVBQESA-N 0 3 242.319 0.429 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H](C)COCCOC ZINC000353721884 387266298 /nfs/dbraw/zinc/26/62/98/387266298.db2.gz FOWMIBORKDFMDA-ZJUUUORDSA-N 0 3 232.324 0.282 20 0 BCADHN CN(CCC1CCOCC1)CC(=O)N(C)C ZINC000120716303 387266678 /nfs/dbraw/zinc/26/66/78/387266678.db2.gz VSFPHWBWRRAKIL-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN CC/C=C/CCN1CC[C@H](S(=O)(=O)NC)C1 ZINC000372039722 387266723 /nfs/dbraw/zinc/26/67/23/387266723.db2.gz VIVJLCKGSCKXFT-ZWNMCFTASA-N 0 3 246.376 0.966 20 0 BCADHN CCCCN(C)CCNC(=O)NCC[C@@H](C)O ZINC000114831789 387267780 /nfs/dbraw/zinc/26/77/80/387267780.db2.gz SYZDLFNFKXPLNU-LLVKDONJSA-N 0 3 245.367 0.788 20 0 BCADHN CO[C@H](C)CCC(=O)N(C)CCN(C)C ZINC000360344054 387268366 /nfs/dbraw/zinc/26/83/66/387268366.db2.gz RIIKWKSSQMBSLL-SNVBAGLBSA-N 0 3 216.325 0.822 20 0 BCADHN CSC1(C(=O)NC[C@@H](C)N(C)C)CC1 ZINC000352506013 387268623 /nfs/dbraw/zinc/26/86/23/387268623.db2.gz CLUTZQALIMZZDL-MRVPVSSYSA-N 0 3 216.350 0.948 20 0 BCADHN Cc1cnc(CCN(C)C(=O)C2(N)CC2)s1 ZINC000353753868 387270363 /nfs/dbraw/zinc/27/03/63/387270363.db2.gz MKFMNAFBQCKNQT-UHFFFAOYSA-N 0 3 239.344 0.944 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H]1CNCCC1(F)F ZINC000423469464 387317558 /nfs/dbraw/zinc/31/75/58/387317558.db2.gz FYPPDBOQAIHKPQ-DJLDLDEBSA-N 0 3 222.279 0.997 20 0 BCADHN CC(C(=O)N[C@@H]1CC[C@@H](F)C1)S(C)(=O)=O ZINC000360361758 387271655 /nfs/dbraw/zinc/27/16/55/387271655.db2.gz LRFGVUBPNMQGIG-BWZBUEFSSA-N 0 3 237.296 0.426 20 0 BCADHN CCN(CCNC(=O)Cc1ccon1)C1CC1 ZINC000353776298 387271774 /nfs/dbraw/zinc/27/17/74/387271774.db2.gz HZXLVMQFGWUVIH-UHFFFAOYSA-N 0 3 237.303 0.818 20 0 BCADHN CO[C@H](C)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000120861489 387279222 /nfs/dbraw/zinc/27/92/22/387279222.db2.gz AIESLDDOUNFROJ-MXWKQRLJSA-N 0 3 228.336 0.820 20 0 BCADHN Cc1cc(CNC(=O)C(N)C(F)(F)F)no1 ZINC000572238576 387285258 /nfs/dbraw/zinc/28/52/58/387285258.db2.gz SPWGVZKHVFDGMN-LURJTMIESA-N 0 3 237.181 0.489 20 0 BCADHN CN(CCCc1ccncc1)[C@@H]1CCNC1=O ZINC000360468159 387291138 /nfs/dbraw/zinc/29/11/38/387291138.db2.gz LQVHCPJATIJVDX-GFCCVEGCSA-N 0 3 233.315 0.835 20 0 BCADHN COC(=O)CCNC(=O)CN[C@@H]1CCC1(C)C ZINC000514796353 387291699 /nfs/dbraw/zinc/29/16/99/387291699.db2.gz OSQACWZDRBEBBZ-SECBINFHSA-N 0 3 242.319 0.444 20 0 BCADHN CC(C)(O)CCN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000372665168 387318513 /nfs/dbraw/zinc/31/85/13/387318513.db2.gz LHYABGCLUIWIQV-GFCCVEGCSA-N 0 3 242.319 0.722 20 0 BCADHN C[C@H](NCC(=O)N1CCNCC1)c1ccco1 ZINC000643500080 387318636 /nfs/dbraw/zinc/31/86/36/387318636.db2.gz WUIYQTRPSITXKX-JTQLQIEISA-N 0 3 237.303 0.362 20 0 BCADHN CO[C@@H](C(=O)NC[C@](C)(O)CN(C)C)C(C)C ZINC000353968691 387304856 /nfs/dbraw/zinc/30/48/56/387304856.db2.gz YGOMYGUHPSJBRJ-PWSUYJOCSA-N 0 3 246.351 0.086 20 0 BCADHN Cc1cnn(CCN2CC[C@H](C)[C@@H](O)C2)c1 ZINC000303496916 387361101 /nfs/dbraw/zinc/36/11/01/387361101.db2.gz MCWFMMSITPQBEX-RYUDHWBXSA-N 0 3 223.320 0.894 20 0 BCADHN CC(C)[C@](C)(O)C(=O)NC[C@H](C)N(C)C ZINC000352622477 387384290 /nfs/dbraw/zinc/38/42/90/387384290.db2.gz DFIXDOSUAIHYEN-ONGXEEELSA-N 0 3 216.325 0.460 20 0 BCADHN CN(C[C@H]1CCOC1)[C@@H]1CCCNC1=O ZINC000336554013 387374874 /nfs/dbraw/zinc/37/48/74/387374874.db2.gz BNKKNRNTRJIIIG-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN CC[C@H]1CC[C@H](C)N1C(=O)C(=O)N(C)CCN ZINC000423554903 387376393 /nfs/dbraw/zinc/37/63/93/387376393.db2.gz FRBMLUONKMRRPB-UWVGGRQHSA-N 0 3 241.335 0.193 20 0 BCADHN COC(=O)CCCN1CCSC[C@@H]1CCO ZINC000360970504 387377516 /nfs/dbraw/zinc/37/75/16/387377516.db2.gz RBTUZYGFUKGWCC-JTQLQIEISA-N 0 3 247.360 0.739 20 0 BCADHN O=C1NCCC[C@H]1N1CCCSCC1 ZINC000336554311 387377490 /nfs/dbraw/zinc/37/74/90/387377490.db2.gz YPKPNKAECXIMIT-SECBINFHSA-N 0 3 214.334 0.704 20 0 BCADHN CC(C)[C@@H]1C(=O)NCCN1C[C@@H]1CCCOC1 ZINC000336555015 387378020 /nfs/dbraw/zinc/37/80/20/387378020.db2.gz CMSKWXVPWJJTGK-NWDGAFQWSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)[C@@H]1C(=O)NCCN1C[C@H]1CCOC1 ZINC000336554895 387378146 /nfs/dbraw/zinc/37/81/46/387378146.db2.gz VVEPHWVEKNOINR-GHMZBOCLSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@H](NCC(C)(C)OCCO)c1cnn(C)c1 ZINC000287188683 387380853 /nfs/dbraw/zinc/38/08/53/387380853.db2.gz CZESVOJSXCCGIH-JTQLQIEISA-N 0 3 241.335 0.858 20 0 BCADHN CN(C(=O)C1(C)COC1)C1CCN(C)CC1 ZINC000336559068 387382290 /nfs/dbraw/zinc/38/22/90/387382290.db2.gz ZCCLGCBMJAFERS-UHFFFAOYSA-N 0 3 226.320 0.576 20 0 BCADHN COC(=O)c1cc(CN(C)C[C@H](C)O)cn1C ZINC000361016868 387382351 /nfs/dbraw/zinc/38/23/51/387382351.db2.gz KBIITMFMWYEWOI-VIFPVBQESA-N 0 3 240.303 0.624 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)Cn1cccn1 ZINC000354045852 387320136 /nfs/dbraw/zinc/32/01/36/387320136.db2.gz VUQHMECOCSOSDF-UHFFFAOYSA-N 0 3 236.319 0.436 20 0 BCADHN CC[C@H](N)C(=O)N1CCSC[C@@H]1C ZINC000069761778 387320488 /nfs/dbraw/zinc/32/04/88/387320488.db2.gz AWFWKMLNKCREIO-YUMQZZPRSA-N 0 3 202.323 0.688 20 0 BCADHN Cc1nc2ncnn2c(N2CCN[C@H](C)C2)c1C ZINC000515006132 387321757 /nfs/dbraw/zinc/32/17/57/387321757.db2.gz URHINWJLOJDOAM-MRVPVSSYSA-N 0 3 246.318 0.539 20 0 BCADHN CN(C)CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000336501061 387327814 /nfs/dbraw/zinc/32/78/14/387327814.db2.gz ISHVBRQJAVTWAA-NSHDSACASA-N 0 3 225.336 0.101 20 0 BCADHN OC[C@H]1CCN(CCCCF)C[C@H]1O ZINC000515012834 387328020 /nfs/dbraw/zinc/32/80/20/387328020.db2.gz CADVZKNTOTWTQL-NXEZZACHSA-N 0 3 205.273 0.411 20 0 BCADHN CCC[C@H](C)[C@H](CO)NCC(=O)NCC ZINC000515063562 387329972 /nfs/dbraw/zinc/32/99/72/387329972.db2.gz WWNXXLREDSIMLA-UWVGGRQHSA-N 0 3 216.325 0.509 20 0 BCADHN Cc1cnn(C)c1CN[C@H](C)CC[S@@](C)=O ZINC000286592170 387330784 /nfs/dbraw/zinc/33/07/84/387330784.db2.gz 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387437761 /nfs/dbraw/zinc/43/77/61/387437761.db2.gz LLRQLVGNOOEDME-GFCCVEGCSA-N 0 3 228.336 0.429 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cccc(N)n1 ZINC000423853437 387438117 /nfs/dbraw/zinc/43/81/17/387438117.db2.gz UOKFSPCPJVJNHK-UHFFFAOYSA-N 0 3 248.330 0.830 20 0 BCADHN C[C@]1(O)CCN(CCN2CCCOCC2)C1 ZINC000361314827 387438610 /nfs/dbraw/zinc/43/86/10/387438610.db2.gz SPWIWPBIFOJEJX-LBPRGKRZSA-N 0 3 228.336 0.165 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCC1([C@H](O)C(C)C)CC1 ZINC000423868938 387439596 /nfs/dbraw/zinc/43/95/96/387439596.db2.gz HPZSDUXQACPJPM-GHMZBOCLSA-N 0 3 242.363 0.883 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C(=O)OC ZINC000361327166 387439489 /nfs/dbraw/zinc/43/94/89/387439489.db2.gz TVFBKKNHGQSUNI-RKDXNWHRSA-N 0 3 230.308 0.394 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1CCN1CCCOCC1 ZINC000361318536 387440120 /nfs/dbraw/zinc/44/01/20/387440120.db2.gz MZYGOGPDCDWIEQ-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN CN([C@H]1CCC[C@H]1O)[C@@H]1CCCCNC1=O ZINC000352697584 387440529 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ZINC000040826296 387584010 /nfs/dbraw/zinc/58/40/10/387584010.db2.gz ZNJXWSJKLRVXSO-GHMZBOCLSA-N 0 3 244.335 0.426 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)NCC1CC1 ZINC000528756934 387586800 /nfs/dbraw/zinc/58/68/00/387586800.db2.gz PCVRRSODSIRBQY-BSTOTGJRSA-N 0 3 240.347 0.914 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)C(=O)OC)N(C)C ZINC000124699765 387628351 /nfs/dbraw/zinc/62/83/51/387628351.db2.gz SIGDRTKNLMWYBC-YUMQZZPRSA-N 0 3 216.281 0.004 20 0 BCADHN CC[C@@H](C)CNC(=O)NC[C@](C)(O)CN(C)C ZINC000422234423 387589033 /nfs/dbraw/zinc/58/90/33/387589033.db2.gz WQUWDVPEEAHPKJ-PWSUYJOCSA-N 0 3 245.367 0.644 20 0 BCADHN Cc1cc(C)n([C@@H]2CCCN(C(=O)CN)C2)n1 ZINC000375872538 387589309 /nfs/dbraw/zinc/58/93/09/387589309.db2.gz FTLHGKXMEYXNCR-LLVKDONJSA-N 0 3 236.319 0.622 20 0 BCADHN CN(C)C(=O)[C@H]1CC[C@@H](CNCC2(F)CC2)O1 ZINC000527524058 387594282 /nfs/dbraw/zinc/59/42/82/387594282.db2.gz UVRDVAPHHZSXFI-VHSXEESVSA-N 0 3 244.310 0.714 20 0 BCADHN O=C(COC1CNC1)NCCc1cccs1 ZINC000429755361 387595568 /nfs/dbraw/zinc/59/55/68/387595568.db2.gz XUMRGUZKZFQRKQ-UHFFFAOYSA-N 0 3 240.328 0.395 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)C1CCN(C)CC1 ZINC000362351436 387600918 /nfs/dbraw/zinc/60/09/18/387600918.db2.gz DIIZRWWYDGXKNO-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CC[C@H]2OCC[C@H]2C1 ZINC000376043218 387602803 /nfs/dbraw/zinc/60/28/03/387602803.db2.gz GXDYDBBFLIPGCT-JBLDHEPKSA-N 0 3 238.331 0.764 20 0 BCADHN CNCC(=O)NCCCNC(=O)c1ccccc1 ZINC000430263867 387603270 /nfs/dbraw/zinc/60/32/70/387603270.db2.gz YXSYKFPBJOTWLO-UHFFFAOYSA-N 0 3 249.314 0.142 20 0 BCADHN COc1cc(C)ccc1CNC(=O)[C@@H]1C[C@@H]1N ZINC000424126567 387604182 /nfs/dbraw/zinc/60/41/82/387604182.db2.gz PHGAZCIQHYHYQA-MNOVXSKESA-N 0 3 234.299 0.967 20 0 BCADHN C[C@@](O)(C(=O)NCCN1CCCC1)C1CCC1 ZINC000362390448 387605820 /nfs/dbraw/zinc/60/58/20/387605820.db2.gz SSEVAAMLSNRNMS-ZDUSSCGKSA-N 0 3 240.347 0.750 20 0 BCADHN CNS(=O)(=O)CCCN1CC(C)=C[C@@H](C)C1 ZINC000430288836 387608668 /nfs/dbraw/zinc/60/86/68/387608668.db2.gz KDHOBRSBVHEMPX-SNVBAGLBSA-N 0 3 246.376 0.824 20 0 BCADHN C[C@@H]1CN(C(=O)COC2CNC2)CC(C)(C)O1 ZINC000430310909 387610992 /nfs/dbraw/zinc/61/09/92/387610992.db2.gz FZLQXRLCKVJYKI-SECBINFHSA-N 0 3 242.319 0.001 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCCN(C)C1=O ZINC000430375598 387612690 /nfs/dbraw/zinc/61/26/90/387612690.db2.gz KBPAPLLEZSFZSC-GUBZILKMSA-N 0 3 241.335 0.097 20 0 BCADHN CCCOCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425058735 387613116 /nfs/dbraw/zinc/61/31/16/387613116.db2.gz PGIVMXRVNLIONK-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN NS(=O)(=O)N1CCCN(C2CCCC2)CC1 ZINC000376182467 387613469 /nfs/dbraw/zinc/61/34/69/387613469.db2.gz WJJBANIPUOYIEG-UHFFFAOYSA-N 0 3 247.364 0.140 20 0 BCADHN CC(C)N(C)CC(=O)NC1CN(C(C)C)C1 ZINC000430430760 387617887 /nfs/dbraw/zinc/61/78/87/387617887.db2.gz ITHCUYRHDPUJNJ-UHFFFAOYSA-N 0 3 227.352 0.535 20 0 BCADHN CC[C@@H](C(=O)N1CCN(C(C)=O)CC1)N(C)C ZINC000124431502 387618238 /nfs/dbraw/zinc/61/82/38/387618238.db2.gz DGOLGZJIPQGARW-NSHDSACASA-N 0 3 241.335 0.017 20 0 BCADHN CNCC(=O)N[C@H](COC)c1ccc(F)cc1 ZINC000430439809 387619341 /nfs/dbraw/zinc/61/93/41/387619341.db2.gz OTQKSZMWMBYENR-LLVKDONJSA-N 0 3 240.278 0.849 20 0 BCADHN C[C@H](CNC(=O)[C@](C)(O)C1CCC1)N(C)C ZINC000362500759 387620508 /nfs/dbraw/zinc/62/05/08/387620508.db2.gz SOJIGTWVTPDRHZ-BXKDBHETSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@@](C)(O)C1 ZINC000124515068 387621454 /nfs/dbraw/zinc/62/14/54/387621454.db2.gz LIMRVSJARBQUDR-BXKDBHETSA-N 0 3 226.320 0.500 20 0 BCADHN CC[C@@H](C(=O)N1CCO[C@H](C2CC2)C1)N(C)C ZINC000362499288 387621432 /nfs/dbraw/zinc/62/14/32/387621432.db2.gz OEHWPQZWUMIVCR-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)[C@@H]1CCCCN1 ZINC000430526129 387622665 /nfs/dbraw/zinc/62/26/65/387622665.db2.gz DVEVJUTZUSVYBO-VWYCJHECSA-N 0 3 228.336 0.652 20 0 BCADHN CC[C@H](OC)C(=O)N1CCC[C@H]1CN(C)C ZINC000362509152 387622911 /nfs/dbraw/zinc/62/29/11/387622911.db2.gz VHGZVSPOGMNFKD-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN Cc1cc(CN2CC[C@@H](C(N)=O)C2)ccn1 ZINC000527532386 387623967 /nfs/dbraw/zinc/62/39/67/387623967.db2.gz DVIXEGUBQMMZAJ-LLVKDONJSA-N 0 3 219.288 0.697 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)[C@H]1CCCCN1 ZINC000430521529 387624155 /nfs/dbraw/zinc/62/41/55/387624155.db2.gz DVEVJUTZUSVYBO-GMTAPVOTSA-N 0 3 228.336 0.652 20 0 BCADHN O=C1C[C@@]2(CCN(CC3(F)CC3)C2)CN1 ZINC000527237285 387546072 /nfs/dbraw/zinc/54/60/72/387546072.db2.gz JXNNQRPPNYJBGW-JTQLQIEISA-N 0 3 212.268 0.701 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)[C@H](O)C1CCC1 ZINC000422040997 387547030 /nfs/dbraw/zinc/54/70/30/387547030.db2.gz SVNNSMRIYLSBIM-VXGBXAGGSA-N 0 3 240.347 0.700 20 0 BCADHN CN(C)C1CN(c2ncnc(N)c2Cl)C1 ZINC000277888133 387549624 /nfs/dbraw/zinc/54/96/24/387549624.db2.gz SSEDRYIOLAMCJW-UHFFFAOYSA-N 0 3 227.699 0.462 20 0 BCADHN C[C@@H]1CCN(CC2(C)COC2)[C@H](C(N)=O)C1 ZINC000426268751 387552354 /nfs/dbraw/zinc/55/23/54/387552354.db2.gz REZSVNQXZHVKEP-ZJUUUORDSA-N 0 3 226.320 0.609 20 0 BCADHN CCOCCCN1CC[C@H](C)C[C@H]1C(N)=O ZINC000426259274 387553196 /nfs/dbraw/zinc/55/31/96/387553196.db2.gz YZPBWYFRFSGPLM-QWRGUYRKSA-N 0 3 228.336 0.999 20 0 BCADHN CN(C)Cc1cccc(C(=O)N(C)CCO)c1 ZINC000305119461 387555359 /nfs/dbraw/zinc/55/53/59/387555359.db2.gz AYIRWQZCOZNPBE-UHFFFAOYSA-N 0 3 236.315 0.813 20 0 BCADHN CC[C@@H](O)CNCc1ccc2c(c1)nnn2C ZINC000422081427 387557515 /nfs/dbraw/zinc/55/75/15/387557515.db2.gz CKPGBCXHGQPAHE-SNVBAGLBSA-N 0 3 234.303 0.829 20 0 BCADHN CC(C(=O)N[C@H]1CCSC1)S(C)(=O)=O ZINC000361978737 387557588 /nfs/dbraw/zinc/55/75/88/387557588.db2.gz MRHIVBDPHIBKRK-RQJHMYQMSA-N 0 3 237.346 0.041 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccnc2ccnn21 ZINC000424115405 387558576 /nfs/dbraw/zinc/55/85/76/387558576.db2.gz VALOCWFNBGHOOK-NKWVEPMBSA-N 0 3 217.232 0.015 20 0 BCADHN CC(C)OC(=O)[C@H](C)CNC(=O)[C@@H]1C[C@@H]1N ZINC000424116369 387558910 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YOCOLRIWKDWEKA-NXEZZACHSA-N 0 3 248.392 0.557 20 0 BCADHN O=C1CO[C@H]2CCN(CCCCF)C[C@@H]2N1 ZINC000375665779 387564698 /nfs/dbraw/zinc/56/46/98/387564698.db2.gz SXLVZYOTPAHEDN-UWVGGRQHSA-N 0 3 230.283 0.325 20 0 BCADHN CCCCNC(=O)[C@H](C)N1C[C@H](CO)[C@H](C)C1 ZINC000362085188 387568430 /nfs/dbraw/zinc/56/84/30/387568430.db2.gz FPVIYZIIWZCALB-GRYCIOLGSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H](NC[C@H](O)CN(C)C)c1ccccn1 ZINC000037889239 387568509 /nfs/dbraw/zinc/56/85/09/387568509.db2.gz ISDMZJWHMJCZGF-MNOVXSKESA-N 0 3 223.320 0.655 20 0 BCADHN CCCCNC(=O)[C@H](C)N1C[C@H](C)[C@@H](CO)C1 ZINC000362085189 387568577 /nfs/dbraw/zinc/56/85/77/387568577.db2.gz FPVIYZIIWZCALB-SDDRHHMPSA-N 0 3 242.363 0.851 20 0 BCADHN COC(=O)[C@H](C1CC1)N1C[C@H](C)[C@H](CO)C1 ZINC000362076065 387569225 /nfs/dbraw/zinc/56/92/25/387569225.db2.gz KDXGZJBPYZFUKB-LSJOCFKGSA-N 0 3 227.304 0.498 20 0 BCADHN CCCCNC(=O)CN1C[C@H](CO)[C@H](C)C1 ZINC000362075203 387569405 /nfs/dbraw/zinc/56/94/05/387569405.db2.gz 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CC1(C)CN[C@H]1C(=O)NCc1cocn1 ZINC000629613942 387713898 /nfs/dbraw/zinc/71/38/98/387713898.db2.gz VMFXVPMBWJAXSZ-QMMMGPOBSA-N 0 3 209.249 0.289 20 0 BCADHN COC[C@H](O)CCNCc1ccc(C)cn1 ZINC000127500057 387715488 /nfs/dbraw/zinc/71/54/88/387715488.db2.gz CVFVDMAVBHTIIK-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN COC[C@H](O)CN1CC[C@@H](OCC(C)C)C1 ZINC000127501868 387716173 /nfs/dbraw/zinc/71/61/73/387716173.db2.gz AGXHXTUAPAVHIG-VXGBXAGGSA-N 0 3 231.336 0.741 20 0 BCADHN C(NC1COC1)[C@H]1CCC[C@@H]1N1CCOCC1 ZINC000367480019 387717010 /nfs/dbraw/zinc/71/70/10/387717010.db2.gz HBELMIRZKAUDMW-YPMHNXCESA-N 0 3 240.347 0.476 20 0 BCADHN CCC[C@H](C(=O)N1C[C@@H](C)N[C@H](C)C1)N(C)C ZINC000422820380 387717338 /nfs/dbraw/zinc/71/73/38/387717338.db2.gz QGTOLAODEUSQAR-IJLUTSLNSA-N 0 3 241.379 0.926 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)C1=CCOCC1 ZINC000356770398 387717394 /nfs/dbraw/zinc/71/73/94/387717394.db2.gz FNRWKDBHFFWIFK-UHFFFAOYSA-N 0 3 238.331 0.886 20 0 BCADHN Cc1n[nH]cc1CNCC12CC(C1)CO2 ZINC000527790933 387718026 /nfs/dbraw/zinc/71/80/26/387718026.db2.gz WTTNFRQGCUPGRH-UHFFFAOYSA-N 0 3 207.277 0.987 20 0 BCADHN O=C(CC1CC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377476294 387718807 /nfs/dbraw/zinc/71/88/07/387718807.db2.gz OJYDBIKPMFIMLP-VXGBXAGGSA-N 0 3 238.331 0.766 20 0 BCADHN COc1ncccc1CN1CC[C@H](CC(N)=O)C1 ZINC000377493889 387718897 /nfs/dbraw/zinc/71/88/97/387718897.db2.gz MXTFGIMOOOQHJJ-SNVBAGLBSA-N 0 3 249.314 0.788 20 0 BCADHN CSC1(C(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000356780873 387719057 /nfs/dbraw/zinc/71/90/57/387719057.db2.gz NPTQASKSZIVOHN-JTQLQIEISA-N 0 3 244.360 0.065 20 0 BCADHN CC(C)N1CC[C@@H](N2C[C@H](C)C[C@H](O)C2)C1=O ZINC000452064502 387719469 /nfs/dbraw/zinc/71/94/69/387719469.db2.gz FNDSGGBIUNEWQF-GRYCIOLGSA-N 0 3 240.347 0.698 20 0 BCADHN CC(=O)[C@](C)(O)CN1C[C@@H](C)C[C@H](O)C1 ZINC000452064802 387719833 /nfs/dbraw/zinc/71/98/33/387719833.db2.gz ACACDXLSAJNCIN-INTQDDNPSA-N 0 3 215.293 0.029 20 0 BCADHN COc1ncccc1CN1CC[C@@H](CC(N)=O)C1 ZINC000377493888 387720285 /nfs/dbraw/zinc/72/02/85/387720285.db2.gz MXTFGIMOOOQHJJ-JTQLQIEISA-N 0 3 249.314 0.788 20 0 BCADHN CN(CCOCC1CC1)CC(C)(CO)CO ZINC000127641602 387721007 /nfs/dbraw/zinc/72/10/07/387721007.db2.gz BTVYBROJMQUMTI-UHFFFAOYSA-N 0 3 231.336 0.336 20 0 BCADHN O=C(NCCO)[C@@H]1CCCCN1C1CCCC1 ZINC000431620592 387721381 /nfs/dbraw/zinc/72/13/81/387721381.db2.gz LHXPXSSFJXUZCR-LBPRGKRZSA-N 0 3 240.347 0.892 20 0 BCADHN CS(=O)(=O)NCCN(CC1CC1)CC1CC1 ZINC000115563308 387723827 /nfs/dbraw/zinc/72/38/27/387723827.db2.gz OYFHOEADJOLJJZ-UHFFFAOYSA-N 0 3 246.376 0.658 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000356813024 387724613 /nfs/dbraw/zinc/72/46/13/387724613.db2.gz IVWZMWPODXFESN-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cnnn1C ZINC000527802647 387725096 /nfs/dbraw/zinc/72/50/96/387725096.db2.gz ASSJSSBKEKQSAL-WYOJIJJFSA-N 0 3 224.308 0.717 20 0 BCADHN C[C@H](CN1CC[C@@H](C)[C@@H]1CO)CS(C)(=O)=O ZINC000248972839 387725558 /nfs/dbraw/zinc/72/55/58/387725558.db2.gz TVQVLDZQOYLGMJ-MXWKQRLJSA-N 0 3 249.376 0.370 20 0 BCADHN COC(=O)CN1CCCN(CCCCF)CC1 ZINC000367554588 387727902 /nfs/dbraw/zinc/72/79/02/387727902.db2.gz VQLHIHBIEWLIOE-UHFFFAOYSA-N 0 3 246.326 0.917 20 0 BCADHN C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCCN2C)CCN1C ZINC000356845840 387729657 /nfs/dbraw/zinc/72/96/57/387729657.db2.gz JAQPXBKHQBURAP-GRYCIOLGSA-N 0 3 239.363 0.632 20 0 BCADHN CCCCCN1CCOC[C@H]1CC(N)=O ZINC000452087501 387730835 /nfs/dbraw/zinc/73/08/35/387730835.db2.gz QQGFCTDKIBUEEP-SNVBAGLBSA-N 0 3 214.309 0.753 20 0 BCADHN NC(=O)C[C@H]1COCCN1CCC1CC1 ZINC000452091843 387732381 /nfs/dbraw/zinc/73/23/81/387732381.db2.gz WKALTUGOXKKFOE-JTQLQIEISA-N 0 3 212.293 0.363 20 0 BCADHN CCNS(=O)(=O)NCCN1CCCC1(C)C ZINC000452089680 387732652 /nfs/dbraw/zinc/73/26/52/387732652.db2.gz QCGKKZGNDFJXBT-UHFFFAOYSA-N 0 3 249.380 0.305 20 0 BCADHN CC[C@H](C)N(C)CCNC(=O)C[S@@](=O)CC ZINC000431790837 387732984 /nfs/dbraw/zinc/73/29/84/387732984.db2.gz ZPYCFXMJPLADJM-QFYYESIMSA-N 0 3 248.392 0.602 20 0 BCADHN COC(CN1CC[C@@](CO)(C(C)C)C1)OC ZINC000377666218 387736211 /nfs/dbraw/zinc/73/62/11/387736211.db2.gz CADPJLKCNRYMSO-GFCCVEGCSA-N 0 3 231.336 0.946 20 0 BCADHN CC[C@H](CCO)NC(=O)Cc1nc[nH]c1C ZINC000431867461 387736563 /nfs/dbraw/zinc/73/65/63/387736563.db2.gz ZLDQFZSJWVZNBT-SECBINFHSA-N 0 3 225.292 0.538 20 0 BCADHN CC(C)CN(CC[C@H]1CCCO1)CC(N)=O ZINC000188721675 387737834 /nfs/dbraw/zinc/73/78/34/387737834.db2.gz KTEYXRMBWQZWBH-LLVKDONJSA-N 0 3 228.336 0.999 20 0 BCADHN CCN(CC)[C@H](C)CNC(=O)C[S@@](=O)CC ZINC000431908069 387738169 /nfs/dbraw/zinc/73/81/69/387738169.db2.gz XITHBXRIPLSVMO-HWPZZCPQSA-N 0 3 248.392 0.602 20 0 BCADHN CCCCN1CCN(CCO)C[C@@H]1C ZINC000452115263 387741601 /nfs/dbraw/zinc/74/16/01/387741601.db2.gz LJFLAJNONIDHRY-NSHDSACASA-N 0 3 200.326 0.785 20 0 BCADHN CC(C)N1CC[C@H](N(C)CC(=O)N2CCC2)C1 ZINC000452111140 387742424 /nfs/dbraw/zinc/74/24/24/387742424.db2.gz BLBHZOIVTMFBPN-LBPRGKRZSA-N 0 3 239.363 0.633 20 0 BCADHN COCCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452169520 387762706 /nfs/dbraw/zinc/76/27/06/387762706.db2.gz GCOBKCWCSCZNDE-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@H]1CCSC1 ZINC000422916909 387773560 /nfs/dbraw/zinc/77/35/60/387773560.db2.gz BXMWKKQBXDSEPZ-IVZWLZJFSA-N 0 3 244.360 0.375 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@@H]1CCSC1 ZINC000422916912 387774217 /nfs/dbraw/zinc/77/42/17/387774217.db2.gz BXMWKKQBXDSEPZ-OPRDCNLKSA-N 0 3 244.360 0.375 20 0 BCADHN CN1C(=O)C[C@H](N2CC[C@H](C3CC3)C2)C1=O ZINC000378304374 387775074 /nfs/dbraw/zinc/77/50/74/387775074.db2.gz HDLQQRKCSIYFJT-UWVGGRQHSA-N 0 3 222.288 0.476 20 0 BCADHN CCC[C@H](O)CN1CCSC[C@@H]1CCO ZINC000450480069 387784222 /nfs/dbraw/zinc/78/42/22/387784222.db2.gz AAMAUYNBNFLCCS-QWRGUYRKSA-N 0 3 233.377 0.947 20 0 BCADHN CN(CCOCCO)CCC(=O)OC(C)(C)C ZINC000150943949 387784595 /nfs/dbraw/zinc/78/45/95/387784595.db2.gz SBPZNRPSMYOBNI-UHFFFAOYSA-N 0 3 247.335 0.659 20 0 BCADHN CCC[C@@H](NC(C)C)C(=O)N[C@H](CC)C(N)=O ZINC000452267690 387785536 /nfs/dbraw/zinc/78/55/36/387785536.db2.gz DRDQAUIYQNIOIH-NXEZZACHSA-N 0 3 243.351 0.533 20 0 BCADHN C[C@H](NC[C@H](O)[C@H]1CCCO1)c1cnn(C)c1 ZINC000527958573 387786363 /nfs/dbraw/zinc/78/63/63/387786363.db2.gz WRAYBELQVJDUOZ-ZMLRMANQSA-N 0 3 239.319 0.611 20 0 BCADHN CCn1nncc1CN[C@@H]1CCOC1(C)C ZINC000527914905 387786760 /nfs/dbraw/zinc/78/67/60/387786760.db2.gz KZABZGWLRVWRNT-SNVBAGLBSA-N 0 3 224.308 0.955 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1CCc2nccn2C1 ZINC000378498647 387787130 /nfs/dbraw/zinc/78/71/30/387787130.db2.gz QFQUFRAEAIRMCD-ZJUUUORDSA-N 0 3 236.319 0.442 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)N(C)CCCO)CCN1C ZINC000442136683 387789287 /nfs/dbraw/zinc/78/92/87/387789287.db2.gz ZJYHVMXSFLABEO-QWRGUYRKSA-N 0 3 243.351 0.493 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N(C)CCCO)CCN1C ZINC000442136681 387789360 /nfs/dbraw/zinc/78/93/60/387789360.db2.gz ZJYHVMXSFLABEO-GHMZBOCLSA-N 0 3 243.351 0.493 20 0 BCADHN CCn1nncc1CN[C@H]1CCCOCC1 ZINC000527920294 387790320 /nfs/dbraw/zinc/79/03/20/387790320.db2.gz NNJBRMIZNAQFGD-JTQLQIEISA-N 0 3 224.308 0.957 20 0 BCADHN CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1N ZINC000050456862 387794728 /nfs/dbraw/zinc/79/47/28/387794728.db2.gz DFBMTZIRXBWAHX-MNOVXSKESA-N 0 3 204.273 0.992 20 0 BCADHN COc1ncccc1CNC(C)(C)CC(N)=O ZINC000193555536 387795212 /nfs/dbraw/zinc/79/52/12/387795212.db2.gz GJHUGINHMDAIFL-UHFFFAOYSA-N 0 3 237.303 0.834 20 0 BCADHN CSCC[C@@H](N)C(=O)N(C)[C@H]1CCOC1 ZINC000157434713 387795470 /nfs/dbraw/zinc/79/54/70/387795470.db2.gz IADMQWWTHRPMOB-DTWKUNHWSA-N 0 3 232.349 0.314 20 0 BCADHN CN(Cc1cccnc1)C(=O)[C@@H]1C[C@@H]1N ZINC000050458775 387796442 /nfs/dbraw/zinc/79/64/42/387796442.db2.gz INMGRPNEVROQPV-ZJUUUORDSA-N 0 3 205.261 0.387 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCCSCC1 ZINC000050464685 387796779 /nfs/dbraw/zinc/79/67/79/387796779.db2.gz QWERRKXJXVHXGP-JGVFFNPUSA-N 0 3 200.307 0.299 20 0 BCADHN CO[C@H](C)CN[C@H]1C(=O)NCC[C@@H]1C ZINC000193600671 387797313 /nfs/dbraw/zinc/79/73/13/387797313.db2.gz FJRPQMXCMRRMJB-DJLDLDEBSA-N 0 3 200.282 0.136 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCOC[C@@H]1C ZINC000432476843 387797492 /nfs/dbraw/zinc/79/74/92/387797492.db2.gz OCYJGKAWXDDAGA-QWRGUYRKSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H]1CCNC(=O)[C@H]1NCCN1CCCCC1 ZINC000193646407 387799400 /nfs/dbraw/zinc/79/94/00/387799400.db2.gz HUHGXLROLBFSLG-RYUDHWBXSA-N 0 3 239.363 0.587 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCC12CC(C1)CO2 ZINC000527983029 387799541 /nfs/dbraw/zinc/79/95/41/387799541.db2.gz PXHKPPXBLSVTDF-XNWIYYODSA-N 0 3 233.333 0.188 20 0 BCADHN CN1CCC[C@H](NCCn2cccn2)C1=O ZINC000309489112 387803736 /nfs/dbraw/zinc/80/37/36/387803736.db2.gz WLZQGZMQDRFKCA-JTQLQIEISA-N 0 3 222.292 0.094 20 0 BCADHN CC(C)CN1CCCC[C@H]1CNS(N)(=O)=O ZINC000163614222 387804450 /nfs/dbraw/zinc/80/44/50/387804450.db2.gz KODHTLSNDYDBSL-JTQLQIEISA-N 0 3 249.380 0.290 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@@H]1CCCOC1 ZINC000163616371 387805478 /nfs/dbraw/zinc/80/54/78/387805478.db2.gz AYGMAIZSPHJQFU-RKDXNWHRSA-N 0 3 232.349 0.362 20 0 BCADHN CC(C)OC(=O)CCNC(=O)[C@H](N)C1CCC1 ZINC000422948987 387807957 /nfs/dbraw/zinc/80/79/57/387807957.db2.gz TZJDLNCDWSFHHR-LLVKDONJSA-N 0 3 242.319 0.572 20 0 BCADHN CC(C)(C)C(=O)NC[C@H]1CCCN1CCCO ZINC000452350842 387808539 /nfs/dbraw/zinc/80/85/39/387808539.db2.gz OUNOMLIIZFJDHA-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN O=C(NC[C@H]1CCCN1CCCO)C1CCC1 ZINC000452352683 387808876 /nfs/dbraw/zinc/80/88/76/387808876.db2.gz SNSIMHOHFHBVSL-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@@H](NC[C@]1(O)CCN(C)C1)c1ccoc1 ZINC000309503245 387809117 /nfs/dbraw/zinc/80/91/17/387809117.db2.gz BKWBMWSDKICXOB-ZYHUDNBSSA-N 0 3 224.304 0.997 20 0 BCADHN C[C@H](NC[C@H](O)[C@H]1CCCO1)c1ccnn1C ZINC000527959801 387809092 /nfs/dbraw/zinc/80/90/92/387809092.db2.gz YNCDYYLXJXCFCC-ZMLRMANQSA-N 0 3 239.319 0.611 20 0 BCADHN C[C@H](NC[C@@H](O)[C@H]1CCCO1)c1cn[nH]c1 ZINC000527959818 387809380 /nfs/dbraw/zinc/80/93/80/387809380.db2.gz ZARJKMYFDIAZMY-JMJZKYOTSA-N 0 3 225.292 0.600 20 0 BCADHN CC1CCN(CCNC(=O)c2cccnn2)CC1 ZINC000527964232 387811282 /nfs/dbraw/zinc/81/12/82/387811282.db2.gz BCTHONJHDLGLBT-UHFFFAOYSA-N 0 3 248.330 0.938 20 0 BCADHN CC1(C(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000452382194 387811594 /nfs/dbraw/zinc/81/15/94/387811594.db2.gz LRJQCLGWYIIGHG-NSHDSACASA-N 0 3 240.347 0.750 20 0 BCADHN C[C@H](N[C@H]1C[C@H](C)N(C2CC2)C1)C(=O)N(C)C ZINC000129047266 387761388 /nfs/dbraw/zinc/76/13/88/387761388.db2.gz ZVAYQMUYGUJKOU-DCAQKATOSA-N 0 3 239.363 0.678 20 0 BCADHN COC[C@@H]1CN(C[C@H](O)C(C)C)C[C@@H](C)O1 ZINC000432789306 387820245 /nfs/dbraw/zinc/82/02/45/387820245.db2.gz RADFTULWIVXZAI-WOPDTQHZSA-N 0 3 231.336 0.739 20 0 BCADHN COC[C@@H]1CN(C[C@H](O)C(C)C)C[C@H](C)O1 ZINC000432789305 387820290 /nfs/dbraw/zinc/82/02/90/387820290.db2.gz RADFTULWIVXZAI-SRVKXCTJSA-N 0 3 231.336 0.739 20 0 BCADHN CC(C)NC(=O)NCCN1C[C@@H](C)[C@H](O)C1 ZINC000645844573 387821863 /nfs/dbraw/zinc/82/18/63/387821863.db2.gz CEOVGBWCDOYOAN-NXEZZACHSA-N 0 3 229.324 0.007 20 0 BCADHN C[C@@H](N[C@@H](C)CC(N)=O)C(=O)N1CCCCC1 ZINC000135719794 387823631 /nfs/dbraw/zinc/82/36/31/387823631.db2.gz UNHXMMKBTISZHD-VHSXEESVSA-N 0 3 241.335 0.241 20 0 BCADHN CCOCCOCCN(C)C[C@H](O)C(C)C ZINC000432805814 387824404 /nfs/dbraw/zinc/82/44/04/387824404.db2.gz QJIJUNJULFHYSH-LBPRGKRZSA-N 0 3 233.352 0.988 20 0 BCADHN CCN(CCC1CCOCC1)CC(N)=O ZINC000432803718 387824663 /nfs/dbraw/zinc/82/46/63/387824663.db2.gz GOVUQSBTWZQYIM-UHFFFAOYSA-N 0 3 214.309 0.610 20 0 BCADHN CNC(=O)N[C@@H]1CCN(C[C@H](O)C(C)C)C1 ZINC000432805144 387826208 /nfs/dbraw/zinc/82/62/08/387826208.db2.gz LDHRPRGFVKMRKL-ZJUUUORDSA-N 0 3 229.324 0.007 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H](C)CCCO ZINC000452445950 387826527 /nfs/dbraw/zinc/82/65/27/387826527.db2.gz XSNQIQAFMCKQDX-NSHDSACASA-N 0 3 230.352 0.851 20 0 BCADHN CCc1noc(CC)c1CNC(=O)[C@@H]1C[C@@H]1N ZINC000424157275 387826993 /nfs/dbraw/zinc/82/69/93/387826993.db2.gz RWLALAPLPIDSBQ-APPZFPTMSA-N 0 3 237.303 0.763 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)NC[C@H](C)N(C)C ZINC000459034413 387833786 /nfs/dbraw/zinc/83/37/86/387833786.db2.gz CYUZJXNEFOYQHL-WDEREUQCSA-N 0 3 245.367 0.643 20 0 BCADHN COCCNCCNC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000424160887 387841541 /nfs/dbraw/zinc/84/15/41/387841541.db2.gz XOKGKBCOAWQEHA-GHMZBOCLSA-N 0 3 246.326 0.867 20 0 BCADHN Cn1cccc1C(=O)NC1CCN(C)CC1 ZINC000061031690 387842477 /nfs/dbraw/zinc/84/24/77/387842477.db2.gz ZAGTZVASJGYMPK-UHFFFAOYSA-N 0 3 221.304 0.849 20 0 BCADHN CCC(=O)N[C@@H]1CCCN(C[C@H](O)C(C)C)C1 ZINC000432942993 387846005 /nfs/dbraw/zinc/84/60/05/387846005.db2.gz FGCYIMRHVWTYGZ-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CCC[C@H](OC)C(=O)NC[C@@H](C)N(C)C ZINC000448676806 387848275 /nfs/dbraw/zinc/84/82/75/387848275.db2.gz JNAYCAPBGGJSQJ-ZJUUUORDSA-N 0 3 216.325 0.868 20 0 BCADHN CCC[C@](C)(O)C(=O)NCCN(C)C1CC1 ZINC000433017853 387850860 /nfs/dbraw/zinc/85/08/60/387850860.db2.gz AZVFOXYBYVFFTI-LBPRGKRZSA-N 0 3 228.336 0.748 20 0 BCADHN CCNC(=O)CN1CCC[C@@H](COC)C1 ZINC000062161033 387851936 /nfs/dbraw/zinc/85/19/36/387851936.db2.gz CFEDVZFGLVGPDF-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1C[C@@H]1N)[C@@H](O)Cc1ccccc1 ZINC000424166532 387854030 /nfs/dbraw/zinc/85/40/30/387854030.db2.gz COGSKOJKHZLXGS-XEZLXBQYSA-N 0 3 248.326 0.442 20 0 BCADHN CCCN(CCO)C(=O)C12CCCN1CCC2 ZINC000448680497 387858879 /nfs/dbraw/zinc/85/88/79/387858879.db2.gz KKZYNJNZPFRZKR-UHFFFAOYSA-N 0 3 240.347 0.846 20 0 BCADHN CCc1cnc(CNC(=O)[C@@H]2C[C@@H]2N)o1 ZINC000424170238 387860981 /nfs/dbraw/zinc/86/09/81/387860981.db2.gz KRTJNMSWCHELQX-SFYZADRCSA-N 0 3 209.249 0.200 20 0 BCADHN CC(C)[C@@H](CO)C(=O)NC[C@H](C)N(C)C ZINC000448683537 387862202 /nfs/dbraw/zinc/86/22/02/387862202.db2.gz ZJBZZXJPUKWPSK-VHSXEESVSA-N 0 3 216.325 0.317 20 0 BCADHN CCC[C@@](C)(O)C(=O)N(C)CCN(C)C ZINC000433084173 387863093 /nfs/dbraw/zinc/86/30/93/387863093.db2.gz AEKTZGMSBSCRBW-LLVKDONJSA-N 0 3 216.325 0.558 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@@H]1CCCCN1 ZINC000157695493 387863995 /nfs/dbraw/zinc/86/39/95/387863995.db2.gz HNXAGHTWEXVDGY-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN CC[C@@H](O)CC(=O)NCCCN(C)CCOC ZINC000448688375 387865991 /nfs/dbraw/zinc/86/59/91/387865991.db2.gz BQQVCJLASAYJRT-LLVKDONJSA-N 0 3 246.351 0.232 20 0 BCADHN OCCCN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193867538 387865910 /nfs/dbraw/zinc/86/59/10/387865910.db2.gz VRCGCMRHZHHEIA-SNVBAGLBSA-N 0 3 209.293 0.972 20 0 BCADHN OCCCN1CCC[C@H](c2cc[nH]n2)C1 ZINC000193867552 387866440 /nfs/dbraw/zinc/86/64/40/387866440.db2.gz VRCGCMRHZHHEIA-JTQLQIEISA-N 0 3 209.293 0.972 20 0 BCADHN O[C@@H]1[C@H]2C[C@H]3CN(CCOCC(F)F)[C@H]1[C@H]3C2 ZINC000193801189 387867169 /nfs/dbraw/zinc/86/71/69/387867169.db2.gz FJEPVHUKESHCIG-DWFQIMNCSA-N 0 3 247.285 0.969 20 0 BCADHN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2N)c(=O)[nH]1 ZINC000424172837 387869228 /nfs/dbraw/zinc/86/92/28/387869228.db2.gz KTQILJUHOLWURX-RQJHMYQMSA-N 0 3 207.233 0.381 20 0 BCADHN CCOC[C@H](O)CN(C)[C@@H](CO)COC(C)C ZINC000433151936 387869350 /nfs/dbraw/zinc/86/93/50/387869350.db2.gz JZWRZOUKHYXIPP-NWDGAFQWSA-N 0 3 249.351 0.102 20 0 BCADHN CC(C)OC[C@H](CO)N(C)CCCO ZINC000433139631 387869653 /nfs/dbraw/zinc/86/96/53/387869653.db2.gz BSYYHSIGHNJKBE-JTQLQIEISA-N 0 3 205.298 0.087 20 0 BCADHN CSCCN1CCC(N2CCNC2=O)CC1 ZINC000193979514 387869709 /nfs/dbraw/zinc/86/97/09/387869709.db2.gz WDKRTNYNKKLPFU-UHFFFAOYSA-N 0 3 243.376 0.839 20 0 BCADHN CSCC[C@@H](C)N(C)C(=O)[C@@H](C)N ZINC000157733433 387869675 /nfs/dbraw/zinc/86/96/75/387869675.db2.gz MNOVYNOWFAIVGV-HTQZYQBOSA-N 0 3 204.339 0.934 20 0 BCADHN CC(C)OC[C@H](CO)N(C)CCC(C)(C)O ZINC000433145454 387870614 /nfs/dbraw/zinc/87/06/14/387870614.db2.gz HOLXIISGHQSWLY-NSHDSACASA-N 0 3 233.352 0.865 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)CCC(C)(C)O ZINC000433145453 387871143 /nfs/dbraw/zinc/87/11/43/387871143.db2.gz HOLXIISGHQSWLY-LLVKDONJSA-N 0 3 233.352 0.865 20 0 BCADHN C[C@@H](CO)N(C)C[C@@H](O)COCC(F)(F)F ZINC000432783917 387816593 /nfs/dbraw/zinc/81/65/93/387816593.db2.gz LVEJIPAYSQXPSN-JGVFFNPUSA-N 0 3 245.241 0.239 20 0 BCADHN C[C@H](CO)N(C)C[C@@H](O)COCC(F)(F)F ZINC000432783916 387816616 /nfs/dbraw/zinc/81/66/16/387816616.db2.gz LVEJIPAYSQXPSN-HTQZYQBOSA-N 0 3 245.241 0.239 20 0 BCADHN CN(C)CC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000442671178 387819591 /nfs/dbraw/zinc/81/95/91/387819591.db2.gz GXMNJZOBNCIJLR-UHFFFAOYSA-N 0 3 245.286 0.972 20 0 BCADHN NC(=O)CCN[C@H](c1cccnc1)C1CC1 ZINC000564078667 387819716 /nfs/dbraw/zinc/81/97/16/387819716.db2.gz VNWTZXOMIWZBCJ-LBPRGKRZSA-N 0 3 219.288 0.998 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCC[C@H]1CCCCO1 ZINC000424178960 387889506 /nfs/dbraw/zinc/88/95/06/387889506.db2.gz XWHQIPVWAVGKMB-OUAUKWLOSA-N 0 3 226.320 0.799 20 0 BCADHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)N1CCCC1 ZINC000236389943 387890636 /nfs/dbraw/zinc/89/06/36/387890636.db2.gz AUXBLROZNCODHD-DGCLKSJQSA-N 0 3 238.331 0.766 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000158089076 387890704 /nfs/dbraw/zinc/89/07/04/387890704.db2.gz XNTGKWUKGFIZER-RKDXNWHRSA-N 0 3 216.325 0.637 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@H](O)[C@H]1C ZINC000452708845 387891743 /nfs/dbraw/zinc/89/17/43/387891743.db2.gz QJWZPLIKGLEYNB-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCCc1ccccn1 ZINC000424181027 387893052 /nfs/dbraw/zinc/89/30/52/387893052.db2.gz QMLWQTRUYMCYIO-WDEREUQCSA-N 0 3 219.288 0.478 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1C[C@@H]1CCC=CO1 ZINC000194722291 387893216 /nfs/dbraw/zinc/89/32/16/387893216.db2.gz HQNQAXOUBIUFOL-DCAQKATOSA-N 0 3 213.277 0.107 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000452708847 387893668 /nfs/dbraw/zinc/89/36/68/387893668.db2.gz QJWZPLIKGLEYNB-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN CCOCC[C@H](O)CN1CC[C@@H](OC)C1 ZINC000444640333 387896245 /nfs/dbraw/zinc/89/62/45/387896245.db2.gz PBJKCPGNDDTPBM-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H](O)C1CCCCC1 ZINC000154409055 387897501 /nfs/dbraw/zinc/89/75/01/387897501.db2.gz IBAMFNQMBWUXOL-WCBMZHEXSA-N 0 3 214.309 0.391 20 0 BCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(F)F ZINC000236136699 387875642 /nfs/dbraw/zinc/87/56/42/387875642.db2.gz GERREYOTYQWLEO-SFYZADRCSA-N 0 3 234.246 0.231 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccncc1F ZINC000157823482 387876593 /nfs/dbraw/zinc/87/65/93/387876593.db2.gz KIOMISWGNFYSPM-QMMMGPOBSA-N 0 3 225.267 0.901 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)CC1CC1 ZINC000152626405 387886392 /nfs/dbraw/zinc/88/63/92/387886392.db2.gz SMXZNVHBMQBSRV-LLVKDONJSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)n1cncn1 ZINC000195328470 387917997 /nfs/dbraw/zinc/91/79/97/387917997.db2.gz APFOBOOOVJWLGF-WDEREUQCSA-N 0 3 249.318 0.146 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1COc2ccccc2C1 ZINC000154547662 387899292 /nfs/dbraw/zinc/89/92/92/387899292.db2.gz IQZHLMNFUOLGDS-WCBMZHEXSA-N 0 3 220.272 0.454 20 0 BCADHN CCOCC[C@H](O)CN(CC(N)=O)C(C)(C)C ZINC000444654205 387900405 /nfs/dbraw/zinc/90/04/05/387900405.db2.gz WHXUWQZYCNXANJ-JTQLQIEISA-N 0 3 246.351 0.360 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)CCCC(=O)NC ZINC000236690155 387900460 /nfs/dbraw/zinc/90/04/60/387900460.db2.gz YNBPKRQQNHSANY-SNVBAGLBSA-N 0 3 243.351 0.489 20 0 BCADHN O[C@H](CN1CCC[C@@H](O)C1)CC1(O)CCC1 ZINC000528345143 387904143 /nfs/dbraw/zinc/90/41/43/387904143.db2.gz PIFMLUCVMQDRIU-MNOVXSKESA-N 0 3 229.320 0.109 20 0 BCADHN CCOCC[C@H](O)CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000444678559 387905394 /nfs/dbraw/zinc/90/53/94/387905394.db2.gz ZFGYQIWHNIQJAP-AGIUHOORSA-N 0 3 244.379 0.798 20 0 BCADHN OCC1CCN(C[C@H](O)CC2(O)CCC2)CC1 ZINC000528349895 387906729 /nfs/dbraw/zinc/90/67/29/387906729.db2.gz JFXCYJVUMLPRAS-GFCCVEGCSA-N 0 3 243.347 0.357 20 0 BCADHN OC[C@@H]1CCCN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000528346860 387906782 /nfs/dbraw/zinc/90/67/82/387906782.db2.gz VOKVTCSLUHZFKU-NEPJUHHUSA-N 0 3 243.347 0.357 20 0 BCADHN CN1CCCN(C[C@H](O)CC2(O)CCC2)CC1 ZINC000528347274 387906865 /nfs/dbraw/zinc/90/68/65/387906865.db2.gz YEPYOORKTHPKLV-GFCCVEGCSA-N 0 3 242.363 0.290 20 0 BCADHN O=C(NC1CC1)[C@@H]1CCCN1CCCO ZINC000195131362 387908916 /nfs/dbraw/zinc/90/89/16/387908916.db2.gz UTWKUXZOJWJPHZ-JTQLQIEISA-N 0 3 212.293 0.112 20 0 BCADHN CC(C)CSCCCN1C[C@H](O)[C@@H](O)C1 ZINC000444694151 387910997 /nfs/dbraw/zinc/91/09/97/387910997.db2.gz JJBVCFDLFGUKSA-QWRGUYRKSA-N 0 3 233.377 0.803 20 0 BCADHN CCOCCNC(=O)CN[C@@H](CO)C(C)(C)C ZINC000444689010 387911852 /nfs/dbraw/zinc/91/18/52/387911852.db2.gz DWOFZJBXIPBLEF-JTQLQIEISA-N 0 3 246.351 0.136 20 0 BCADHN CCOCCOCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000236908766 387912616 /nfs/dbraw/zinc/91/26/16/387912616.db2.gz GNHJDMOXDIANSF-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@@H](C)O ZINC000452770567 387912608 /nfs/dbraw/zinc/91/26/08/387912608.db2.gz CQOILJDZUBGMNK-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1C[C@@H](C)N(CC(=O)N2CCNC2=O)C1 ZINC000532973407 387916092 /nfs/dbraw/zinc/91/60/92/387916092.db2.gz ZXFYSIOMZVKYDC-RKDXNWHRSA-N 0 3 225.292 0.269 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H](CC)[C@H](C)O ZINC000423150963 387930352 /nfs/dbraw/zinc/93/03/52/387930352.db2.gz JKFCCILWEQIMBD-ZRUFSTJUSA-N 0 3 244.335 0.029 20 0 BCADHN CCn1nncc1CN1CCN(C)CC[C@@H]1C ZINC000459347215 387931924 /nfs/dbraw/zinc/93/19/24/387931924.db2.gz PUULHLIKEXBLQG-NSHDSACASA-N 0 3 237.351 0.824 20 0 BCADHN O=C(COC1CNC1)N[C@@H]1C[C@H]1C1CCC1 ZINC000424218722 387936318 /nfs/dbraw/zinc/93/63/18/387936318.db2.gz WLEREGWRVBTSJJ-WDEREUQCSA-N 0 3 224.304 0.280 20 0 BCADHN CCc1cc(=O)[n-]c(CN(C)[C@H]2CC[NH2+]C2)n1 ZINC000514672932 387921013 /nfs/dbraw/zinc/92/10/13/387921013.db2.gz AUSLXEZWWUTYDQ-JTQLQIEISA-N 0 3 236.319 0.538 20 0 BCADHN CCN(C)CCNC(=O)C(C)(C)NC(=O)OC ZINC000105329171 387921087 /nfs/dbraw/zinc/92/10/87/387921087.db2.gz BQETYZSFTDZNKZ-UHFFFAOYSA-N 0 3 245.323 0.189 20 0 BCADHN Cc1n[nH]cc1CN(CCO)C1CCOCC1 ZINC000438335773 387921702 /nfs/dbraw/zinc/92/17/02/387921702.db2.gz HBWXMXWLSPWIPV-UHFFFAOYSA-N 0 3 239.319 0.691 20 0 BCADHN CNS(=O)(=O)[C@H]1CCCN(CCC2CC2)C1 ZINC000533059643 387922312 /nfs/dbraw/zinc/92/23/12/387922312.db2.gz UYHVQLXACRUEKN-NSHDSACASA-N 0 3 246.376 0.800 20 0 BCADHN COCCN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000444758949 387922761 /nfs/dbraw/zinc/92/27/61/387922761.db2.gz HNDZXJGPEKCCFY-LLVKDONJSA-N 0 3 230.352 0.410 20 0 BCADHN CC[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2N)CCO1 ZINC000424196954 387923336 /nfs/dbraw/zinc/92/33/36/387923336.db2.gz GPLSLPFASBKQFP-KYXWUPHJSA-N 0 3 212.293 0.407 20 0 BCADHN NC1(C(=O)N[C@H]2CCc3n[nH]cc3C2)CCCC1 ZINC000237949570 387928700 /nfs/dbraw/zinc/92/87/00/387928700.db2.gz HFAAUMVEEWOHMV-JTQLQIEISA-N 0 3 248.330 0.655 20 0 BCADHN CCNC(=O)[C@H](C)NC[C@](C)(CC)OC ZINC000322647018 387952519 /nfs/dbraw/zinc/95/25/19/387952519.db2.gz VXVXODYEOYRRKF-ONGXEEELSA-N 0 3 216.325 0.916 20 0 BCADHN CCn1nncc1CN[C@@H]1CCC[C@]1(C)CO ZINC000459404585 387937821 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IJELLXWZLCVWFE-WDEREUQCSA-N 0 3 226.320 0.753 20 0 BCADHN COC1(C(=O)NC2CCN(C)CC2)CC1 ZINC000648717895 388087671 /nfs/dbraw/zinc/08/76/71/388087671.db2.gz AEOUYIPHPSKQLH-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN COc1ccc(CNC[C@@]2(C)CCC(=O)N2)cn1 ZINC000453589599 388087841 /nfs/dbraw/zinc/08/78/41/388087841.db2.gz NLFHLVLGYWRVAR-CYBMUJFWSA-N 0 3 249.314 0.849 20 0 BCADHN COc1cccc(CNC[C@@]2(C)CCC(=O)N2)n1 ZINC000453595726 388088263 /nfs/dbraw/zinc/08/82/63/388088263.db2.gz ZCXZSZQBZWYJSE-CYBMUJFWSA-N 0 3 249.314 0.849 20 0 BCADHN CO[C@@H]1CN([C@H]2COC[C@H]2O)CC[C@H]1C ZINC000463200732 388088469 /nfs/dbraw/zinc/08/84/69/388088469.db2.gz HNBDFQSXWBYRAP-LMLFDSFASA-N 0 3 215.293 0.103 20 0 BCADHN CC(C)(C)[C@H](O)CN1CC(C)(C(N)=O)C1 ZINC000645958970 388089112 /nfs/dbraw/zinc/08/91/12/388089112.db2.gz YAQDZNNQCQNLJM-MRVPVSSYSA-N 0 3 214.309 0.201 20 0 BCADHN CN1C(=O)CC[C@@H](NCc2cc[nH]c2)C1=O ZINC000085580207 388090793 /nfs/dbraw/zinc/09/07/93/388090793.db2.gz ZDOIPFZCHPKAPG-SECBINFHSA-N 0 3 221.260 0.252 20 0 BCADHN CC(C)COC[C@H](O)CN1C[C@H](O)C(C)(C)C1 ZINC000447797543 388092252 /nfs/dbraw/zinc/09/22/52/388092252.db2.gz LBLOYXHVFHZXRA-NEPJUHHUSA-N 0 3 245.363 0.723 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085631601 388093167 /nfs/dbraw/zinc/09/31/67/388093167.db2.gz VTWQCOIGKQLDOB-WCQGTBRESA-N 0 3 240.347 0.914 20 0 BCADHN CC(C)[C@@H](O)CN[C@@H](CO)c1cnn(C)c1 ZINC000336660354 388093817 /nfs/dbraw/zinc/09/38/17/388093817.db2.gz BGHQTENLKPTYSG-QWRGUYRKSA-N 0 3 227.308 0.060 20 0 BCADHN CC(C)[C@H](O)CN[C@@H](CO)c1cnn(C)c1 ZINC000336660355 388093923 /nfs/dbraw/zinc/09/39/23/388093923.db2.gz BGHQTENLKPTYSG-WDEREUQCSA-N 0 3 227.308 0.060 20 0 BCADHN CSCC[C@@H](CO)NCc1c(C)cnn1C ZINC000336660683 388095078 /nfs/dbraw/zinc/09/50/78/388095078.db2.gz CLTMNAAWVDSNBA-JTQLQIEISA-N 0 3 243.376 0.932 20 0 BCADHN C[C@@H](O)CN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000118409523 388095589 /nfs/dbraw/zinc/09/55/89/388095589.db2.gz QQFBWUWTEOTPJJ-ZJUUUORDSA-N 0 3 244.335 0.966 20 0 BCADHN CCC(CC)[C@@H](O)CNC(=O)[C@H]1NCC1(C)C ZINC000645968381 388098875 /nfs/dbraw/zinc/09/88/75/388098875.db2.gz BHZBUGYIFLIHMP-WDEREUQCSA-N 0 3 242.363 0.898 20 0 BCADHN CCOC(=O)CCCN[C@H](CO)[C@H]1CCCO1 ZINC000447919072 388104022 /nfs/dbraw/zinc/10/40/22/388104022.db2.gz CUTVOZFTKFAUMD-GHMZBOCLSA-N 0 3 245.319 0.459 20 0 BCADHN Cc1nn(C)cc1CN[C@H](CO)[C@H]1CCCO1 ZINC000447969123 388106572 /nfs/dbraw/zinc/10/65/72/388106572.db2.gz UPWBEWFGHRELCX-VXGBXAGGSA-N 0 3 239.319 0.358 20 0 BCADHN CCOCCCNC(=O)NC[C@H](C)N(C)C ZINC000454198888 388106945 /nfs/dbraw/zinc/10/69/45/388106945.db2.gz PNHRQLGRIRPVRN-JTQLQIEISA-N 0 3 231.340 0.662 20 0 BCADHN Nc1ncc(CN2CCC[C@@H]2CO)s1 ZINC000086766022 388108035 /nfs/dbraw/zinc/10/80/35/388108035.db2.gz DRVZLFQJRKENHK-SSDOTTSWSA-N 0 3 213.306 0.682 20 0 BCADHN C[C@@H](CNC(=O)NC[C@@H]1C[C@@H]1C)N(C)C ZINC000454266168 388111095 /nfs/dbraw/zinc/11/10/95/388111095.db2.gz IMVAYIZYFLJTSZ-GUBZILKMSA-N 0 3 213.325 0.892 20 0 BCADHN CCCN[C@@H](C)C(=O)Nc1cccn(C)c1=O ZINC000645975186 388111407 /nfs/dbraw/zinc/11/14/07/388111407.db2.gz HAJOHSLGDCSFPN-VIFPVBQESA-N 0 3 237.303 0.712 20 0 BCADHN C[C@@H](CNC(=O)N1C[C@H](C)O[C@@H](C)C1)N(C)C ZINC000454322559 388113599 /nfs/dbraw/zinc/11/35/99/388113599.db2.gz OULJTPAGCCZUHU-DCAQKATOSA-N 0 3 243.351 0.755 20 0 BCADHN CCCCOC[C@@H](O)CN[C@](C)(CC)C(N)=O ZINC000195191679 388116271 /nfs/dbraw/zinc/11/62/71/388116271.db2.gz AYQAUVKHBJLTMG-CMPLNLGQSA-N 0 3 246.351 0.408 20 0 BCADHN CC[C@H](F)CN[C@@H](CC(N)=O)C1CCOCC1 ZINC000440510262 388047844 /nfs/dbraw/zinc/04/78/44/388047844.db2.gz XTYDQRBOHIHTRZ-QWRGUYRKSA-N 0 3 246.326 0.995 20 0 BCADHN C[C@@H]1C[C@H](NCc2ccc(C(N)=O)nc2)[C@@H](C)O1 ZINC000449192290 388155390 /nfs/dbraw/zinc/15/53/90/388155390.db2.gz UGBLFIXAKNBKIU-LNLATYFQSA-N 0 3 249.314 0.836 20 0 BCADHN C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)[n-][nH]1 ZINC000162348035 388155457 /nfs/dbraw/zinc/15/54/57/388155457.db2.gz OAWQUXDYQHECDJ-HTQZYQBOSA-N 0 3 210.281 0.766 20 0 BCADHN C[C@@H]1C[C@H](NCc2ccc(C(N)=O)nc2)[C@H](C)O1 ZINC000449192291 388155765 /nfs/dbraw/zinc/15/57/65/388155765.db2.gz UGBLFIXAKNBKIU-PTRXPTGYSA-N 0 3 249.314 0.836 20 0 BCADHN C[C@@H]1CN(CCN(C)CCCCO)C[C@H](C)O1 ZINC000195311562 388158626 /nfs/dbraw/zinc/15/86/26/388158626.db2.gz FWFYIDAEPYJDBO-BETUJISGSA-N 0 3 244.379 0.800 20 0 BCADHN C[C@@H]1COCC[C@@H]1C(=O)NCCN(C)C ZINC000195311773 388158745 /nfs/dbraw/zinc/15/87/45/388158745.db2.gz KAYDAEOIHCMVTJ-ZJUUUORDSA-N 0 3 214.309 0.337 20 0 BCADHN COC[C@@H]1CCN1C(=O)NC[C@H](C)N(C)C ZINC000455426043 388159819 /nfs/dbraw/zinc/15/98/19/388159819.db2.gz FGMMCHYTLKPJMW-UWVGGRQHSA-N 0 3 229.324 0.367 20 0 BCADHN C[C@@H](CNC(=O)N(C)CC(F)F)N(C)C ZINC000455428799 388159838 /nfs/dbraw/zinc/15/98/38/388159838.db2.gz IBTSMXCKDOYNKC-ZETCQYMHSA-N 0 3 223.267 0.843 20 0 BCADHN CO[C@@H]1CCCN(C(=O)NC[C@H](C)N(C)C)C1 ZINC000455437616 388160446 /nfs/dbraw/zinc/16/04/46/388160446.db2.gz WTLVOAGCUJUICJ-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN 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ZINC000449306476 388170383 /nfs/dbraw/zinc/17/03/83/388170383.db2.gz LPEZPEVGVIYOOW-HRDYMLBCSA-N 0 3 234.340 0.802 20 0 BCADHN NC1(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)CCC1 ZINC000449310705 388171511 /nfs/dbraw/zinc/17/15/11/388171511.db2.gz IBIALLJFYGVMQA-GMTAPVOTSA-N 0 3 238.331 0.942 20 0 BCADHN CCc1cccnc1NC(=O)[C@H](CN)OC ZINC000646265604 388173057 /nfs/dbraw/zinc/17/30/57/388173057.db2.gz AADIYZXUHMVTGU-VIFPVBQESA-N 0 3 223.276 0.556 20 0 BCADHN COc1ccnc(NC(=O)[C@H]2CCN2)c1 ZINC000646274841 388174361 /nfs/dbraw/zinc/17/43/61/388174361.db2.gz XVWBOMRRVGUMTH-MRVPVSSYSA-N 0 3 207.233 0.391 20 0 BCADHN CC[C@H]1CN(C)CCN1Cc1cn[nH]c1 ZINC000646279542 388174870 /nfs/dbraw/zinc/17/48/70/388174870.db2.gz IBBHKFRYWLOXJM-NSHDSACASA-N 0 3 208.309 0.936 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCN2CCOC[C@H]2C1 ZINC000488567128 388188381 /nfs/dbraw/zinc/18/83/81/388188381.db2.gz YSYMELQZUPHQTL-IJLUTSLNSA-N 0 3 210.321 0.659 20 0 BCADHN CSC[C@](C)(O)CNCc1cnn(C)c1 ZINC000164249772 388177009 /nfs/dbraw/zinc/17/70/09/388177009.db2.gz YHLZARLAMNGFCH-SNVBAGLBSA-N 0 3 229.349 0.624 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)CC(C)(C)O ZINC000456096879 388177221 /nfs/dbraw/zinc/17/72/21/388177221.db2.gz OBICIRAWCKYSEL-JTQLQIEISA-N 0 3 230.352 0.994 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)CC(C)(C)O ZINC000456095923 388177322 /nfs/dbraw/zinc/17/73/22/388177322.db2.gz MPOJBSYXAOAAGQ-JTQLQIEISA-N 0 3 230.352 0.994 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@@H]2NCC2(C)C)CCO1 ZINC000646296158 388177669 /nfs/dbraw/zinc/17/76/69/388177669.db2.gz AVAYCCZKEDNOKE-QWRGUYRKSA-N 0 3 240.347 0.868 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H]1CC1(F)F ZINC000448876019 388117334 /nfs/dbraw/zinc/11/73/34/388117334.db2.gz VXBKZLLDQXQBTH-QMMMGPOBSA-N 0 3 236.262 0.336 20 0 BCADHN CC[C@@H](O)CC(=O)N(CCOC)CCN(C)C ZINC000448908648 388119200 /nfs/dbraw/zinc/11/92/00/388119200.db2.gz GZKYAINZSBWMAT-LLVKDONJSA-N 0 3 246.351 0.184 20 0 BCADHN COCCN1CC[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000448937587 388121517 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KVFZXBPWPOSJHT-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN CCC[C@H](OC)C(=O)NCCN(C)CC ZINC000448975997 388125317 /nfs/dbraw/zinc/12/53/17/388125317.db2.gz KVFZXBPWPOSJHT-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCCCN(C)C ZINC000162215395 388126033 /nfs/dbraw/zinc/12/60/33/388126033.db2.gz BBERJUQNVULBGD-JTQLQIEISA-N 0 3 236.381 0.351 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1CCO[C@@H]1C)N(C)C ZINC000454750174 388132722 /nfs/dbraw/zinc/13/27/22/388132722.db2.gz NSNWXHWDHZFATB-IVZWLZJFSA-N 0 3 229.324 0.413 20 0 BCADHN COC[C@@H]1CCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000646052866 388133261 /nfs/dbraw/zinc/13/32/61/388133261.db2.gz QOKZTATYEFOKNN-NXEZZACHSA-N 0 3 226.320 0.479 20 0 BCADHN Cc1cccc2c1O[C@@H](C(=O)NCCN(C)C)C2 ZINC000449048665 388136223 /nfs/dbraw/zinc/13/62/23/388136223.db2.gz GPEPRBPMOZEGPZ-GFCCVEGCSA-N 0 3 248.326 0.976 20 0 BCADHN CCC[C@H](O)CN[C@H](C)CS(C)(=O)=O ZINC000162256548 388136409 /nfs/dbraw/zinc/13/64/09/388136409.db2.gz PMAUKXWDZVJCEE-BDAKNGLRSA-N 0 3 223.338 0.170 20 0 BCADHN CCCN[C@H](C)C(=O)N1CCC[C@@H]1C(=O)NC ZINC000449059833 388136887 /nfs/dbraw/zinc/13/68/87/388136887.db2.gz QQHXLXKIZGHNAA-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN C[C@@H](CNC(=O)NC[C@H]1CCSC1)N(C)C ZINC000454881470 388138260 /nfs/dbraw/zinc/13/82/60/388138260.db2.gz YUZGVLWHDLZKBY-VHSXEESVSA-N 0 3 245.392 0.989 20 0 BCADHN CC(C)[C@@H](O)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000162263326 388138886 /nfs/dbraw/zinc/13/88/86/388138886.db2.gz JMZZKUSIILCPBH-ZJUUUORDSA-N 0 3 235.349 0.170 20 0 BCADHN C[C@H](C(N)=O)N1CC2(C[C@@H]1C)CCOCC2 ZINC000646095937 388141495 /nfs/dbraw/zinc/14/14/95/388141495.db2.gz FEOWIAUTNKJQBK-VHSXEESVSA-N 0 3 226.320 0.751 20 0 BCADHN CC[C@@H](CCO)N[C@@H](C)CS(=O)(=O)CC ZINC000162281711 388142269 /nfs/dbraw/zinc/14/22/69/388142269.db2.gz PYNHFXBVCVDKBQ-UWVGGRQHSA-N 0 3 237.365 0.560 20 0 BCADHN C[C@H]1CC2(CN1[C@@H]1CCNC1=O)CCOCC2 ZINC000646100212 388143124 /nfs/dbraw/zinc/14/31/24/388143124.db2.gz QOHLIIQJKDTGHA-WDEREUQCSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@H]1CC2(CN1[C@H]1CCNC1=O)CCOCC2 ZINC000646100211 388143167 /nfs/dbraw/zinc/14/31/67/388143167.db2.gz QOHLIIQJKDTGHA-QWRGUYRKSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@@H](CNC(=O)NCCCCF)N(C)C ZINC000454978593 388144383 /nfs/dbraw/zinc/14/43/83/388144383.db2.gz JKSXXQULIMEQBM-VIFPVBQESA-N 0 3 219.304 0.985 20 0 BCADHN CCCN[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C ZINC000449122492 388145786 /nfs/dbraw/zinc/14/57/86/388145786.db2.gz LKHJCTFHVKNCFI-IUCAKERBSA-N 0 3 229.324 0.001 20 0 BCADHN C[C@@H]1C(=O)N(C)CN1CCN1CCCCC1 ZINC000646124449 388147743 /nfs/dbraw/zinc/14/77/43/388147743.db2.gz NNGNGCCNDGCMHN-LLVKDONJSA-N 0 3 225.336 0.592 20 0 BCADHN CN(C)CC(C)(C)NC(=O)Nc1ccncn1 ZINC000455177190 388151641 /nfs/dbraw/zinc/15/16/41/388151641.db2.gz BDOWNJFQICOVKX-UHFFFAOYSA-N 0 3 237.307 0.938 20 0 BCADHN CCCN[C@@H](C)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000449165986 388151667 /nfs/dbraw/zinc/15/16/67/388151667.db2.gz YQYKPIRENWXQTG-VHSXEESVSA-N 0 3 243.351 0.261 20 0 BCADHN CCCN[C@@H](C)C(=O)N(CC(N)=O)C(C)C ZINC000449168977 388151763 /nfs/dbraw/zinc/15/17/63/388151763.db2.gz NQTMTYYTDQBAHA-VIFPVBQESA-N 0 3 229.324 0.097 20 0 BCADHN C[C@@H](N)C(=O)N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000646135937 388152327 /nfs/dbraw/zinc/15/23/27/388152327.db2.gz GGLRCRQHKKLZQT-QYNIQEEDSA-N 0 3 240.225 0.512 20 0 BCADHN CCC[C@H](NC(=O)[C@@H](C)NC1CC1)C(=O)OC ZINC000449173544 388152818 /nfs/dbraw/zinc/15/28/18/388152818.db2.gz NXXKJELYMRKOHT-SCZZXKLOSA-N 0 3 242.319 0.585 20 0 BCADHN CC(C)OC(=O)CCNC(=O)C1(N)CCC1 ZINC000449181700 388154064 /nfs/dbraw/zinc/15/40/64/388154064.db2.gz IKFURONDVSHXRB-UHFFFAOYSA-N 0 3 228.292 0.326 20 0 BCADHN CS[C@@H](C)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000162340044 388154070 /nfs/dbraw/zinc/15/40/70/388154070.db2.gz FBSPZLKGUZEKAR-DTWKUNHWSA-N 0 3 237.390 0.905 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000449179716 388154248 /nfs/dbraw/zinc/15/42/48/388154248.db2.gz WOGZAPKQANRIEJ-KXUCPTDWSA-N 0 3 225.336 0.336 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@@H](O)C1CCC1 ZINC000449179726 388154330 /nfs/dbraw/zinc/15/43/30/388154330.db2.gz WPOGYEYYMCCUBT-RYUDHWBXSA-N 0 3 240.347 0.748 20 0 BCADHN CCSCCNCC(=O)NC(C)C ZINC000164783805 388248489 /nfs/dbraw/zinc/24/84/89/388248489.db2.gz GBVXNBYSDSPXCG-UHFFFAOYSA-N 0 3 204.339 0.854 20 0 BCADHN Cn1cc(CNC[C@@]2(O)CCSC2)cn1 ZINC000165144806 388250976 /nfs/dbraw/zinc/25/09/76/388250976.db2.gz QBIWQRUELGYVNF-JTQLQIEISA-N 0 3 227.333 0.378 20 0 BCADHN CCNC(=O)C(C)(C)NCCC(=O)OCC ZINC000312812889 256528626 /nfs/dbraw/zinc/52/86/26/256528626.db2.gz UYURXCCBGXFXKX-UHFFFAOYSA-N 0 3 230.308 0.444 20 0 BCADHN COCCN1CCCN(C[C@H]2C[C@H]2C)CC1=O ZINC000488571566 388189464 /nfs/dbraw/zinc/18/94/64/388189464.db2.gz GDMZCQYVRWGEQU-VXGBXAGGSA-N 0 3 240.347 0.823 20 0 BCADHN CSC[C@@H](O)CN1CCN(C)C[C@@H]1C ZINC000488598530 388190391 /nfs/dbraw/zinc/19/03/91/388190391.db2.gz RXETUCBIQIOCJE-UWVGGRQHSA-N 0 3 218.366 0.346 20 0 BCADHN Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000646306805 388195205 /nfs/dbraw/zinc/19/52/05/388195205.db2.gz CKXYDNLBBLXXPA-STQMWFEESA-N 0 3 248.326 0.742 20 0 BCADHN C[C@@H]1[C@@H](CO)CCN1CCN1CCCC1=O ZINC000488790882 388195859 /nfs/dbraw/zinc/19/58/59/388195859.db2.gz XXOXJWOXEOUGDF-GHMZBOCLSA-N 0 3 226.320 0.312 20 0 BCADHN COC1(CN2CCOC[C@@H](O)C2)CCCC1 ZINC000449412399 388198324 /nfs/dbraw/zinc/19/83/24/388198324.db2.gz CMCVTJJUBLNRPY-NSHDSACASA-N 0 3 229.320 0.639 20 0 BCADHN O[C@H]1COCCN(CCCC2CCOCC2)C1 ZINC000449413250 388198427 /nfs/dbraw/zinc/19/84/27/388198427.db2.gz FYBYDJRISYVKFZ-CYBMUJFWSA-N 0 3 243.347 0.886 20 0 BCADHN O[C@@H]1COCCN(CCCC2CCOCC2)C1 ZINC000449413254 388198481 /nfs/dbraw/zinc/19/84/81/388198481.db2.gz FYBYDJRISYVKFZ-ZDUSSCGKSA-N 0 3 243.347 0.886 20 0 BCADHN Cc1n[nH]c(C)c1CN[C@H](C)C[S@](C)=O ZINC000164281701 388198716 /nfs/dbraw/zinc/19/87/16/388198716.db2.gz JZOOXSQTDCTATL-KWKYVRJSSA-N 0 3 229.349 0.883 20 0 BCADHN CCCCN(C)CCNC(=O)NC[C@@H](O)CC ZINC000488976708 388199885 /nfs/dbraw/zinc/19/98/85/388199885.db2.gz XXLGJYSGAFEGQH-NSHDSACASA-N 0 3 245.367 0.788 20 0 BCADHN CC(C)[C@H](C(=O)NCCC1(CO)CC1)N(C)C ZINC000456427096 388201351 /nfs/dbraw/zinc/20/13/51/388201351.db2.gz HDJMWJQAGKFYCH-LLVKDONJSA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H]1CCCC[C@H]1O)N(C)C ZINC000456457949 388201759 /nfs/dbraw/zinc/20/17/59/388201759.db2.gz BAQKJYCROSMMKC-SDDRHHMPSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H](OC)[C@@H](OC)C1 ZINC000489226528 388206261 /nfs/dbraw/zinc/20/62/61/388206261.db2.gz IICWBFQZSRJLKT-QWRGUYRKSA-N 0 3 244.335 0.200 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1COCC1(C)C ZINC000456530212 388206478 /nfs/dbraw/zinc/20/64/78/388206478.db2.gz BNIRGHGXYRNCKR-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN O[C@H](CN1CC[C@](O)(C2CC2)C1)C(F)(F)F ZINC000489258380 388206661 /nfs/dbraw/zinc/20/66/61/388206661.db2.gz QPPSQHJWXWUVPR-RKDXNWHRSA-N 0 3 239.237 0.756 20 0 BCADHN CN(C(=O)CN1CC[C@@](O)(C2CC2)C1)C1CC1 ZINC000489278478 388207142 /nfs/dbraw/zinc/20/71/42/388207142.db2.gz KPSALNBEJMBVAB-ZDUSSCGKSA-N 0 3 238.331 0.454 20 0 BCADHN CCC[C@@]1(NCC(=O)NC)CCOC1 ZINC000336662143 388259139 /nfs/dbraw/zinc/25/91/39/388259139.db2.gz SSVJWLXEXGAQIP-SNVBAGLBSA-N 0 3 200.282 0.281 20 0 BCADHN COC[C@H](CCO)NCc1cnc(C)s1 ZINC000164302456 388210680 /nfs/dbraw/zinc/21/06/80/388210680.db2.gz BQQGFXJJKZAMEL-VIFPVBQESA-N 0 3 230.333 0.939 20 0 BCADHN COCCN(C[C@H](O)COC)[C@@H]1CCO[C@H]1C ZINC000489406195 388211420 /nfs/dbraw/zinc/21/14/20/388211420.db2.gz OFMNXKXRMQGATA-SDDRHHMPSA-N 0 3 247.335 0.120 20 0 BCADHN CNC(=O)CCN(CCOC)[C@@H]1CCO[C@H]1C ZINC000489468259 388216616 /nfs/dbraw/zinc/21/66/16/388216616.db2.gz HUUAPQRFFNNTHD-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN COCCN(CCCO)[C@H]1CCO[C@@H]1C ZINC000489477106 388217709 /nfs/dbraw/zinc/21/77/09/388217709.db2.gz JCJKNSRBBMTAHN-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN C[C@H](CNC(=O)[C@@H](O)C1CCC1)N(C)C ZINC000449521457 388223309 /nfs/dbraw/zinc/22/33/09/388223309.db2.gz RRCVBSOZRHUOBW-SCZZXKLOSA-N 0 3 214.309 0.214 20 0 BCADHN CC[C@H](N)C(=O)NCCCC(=O)N(CC)CC ZINC000489831197 388225337 /nfs/dbraw/zinc/22/53/37/388225337.db2.gz LINLZZOMXYKUID-JTQLQIEISA-N 0 3 243.351 0.489 20 0 BCADHN C[C@@H]1CN(Cc2c[nH]cn2)C[C@H](C)N1CCO ZINC000449533728 388226011 /nfs/dbraw/zinc/22/60/11/388226011.db2.gz KXMXGKXGAHEBDY-PHIMTYICSA-N 0 3 238.335 0.297 20 0 BCADHN C[C@@H]1CN(Cc2cnc[nH]2)C[C@H](C)N1CCO ZINC000449533728 388226013 /nfs/dbraw/zinc/22/60/13/388226013.db2.gz KXMXGKXGAHEBDY-PHIMTYICSA-N 0 3 238.335 0.297 20 0 BCADHN C[C@H](N)C(=O)N1CCOC[C@H]1Cc1ccccc1 ZINC000489857928 388226188 /nfs/dbraw/zinc/22/61/88/388226188.db2.gz XWAMXGWWCOIEJN-WCQYABFASA-N 0 3 248.326 0.804 20 0 BCADHN NC(=O)c1cc(NC(=O)C2(N)CCCC2)c[nH]1 ZINC000489893116 388228296 /nfs/dbraw/zinc/22/82/96/388228296.db2.gz YFVWZZYPSZXZJT-UHFFFAOYSA-N 0 3 236.275 0.324 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@H](C)N)c1cccs1 ZINC000489955314 388229191 /nfs/dbraw/zinc/22/91/91/388229191.db2.gz MFUPPWSINQSNRC-XPUUQOCRSA-N 0 3 242.300 0.426 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@@H](O)C1CCC1)N(C)C ZINC000456875683 388230577 /nfs/dbraw/zinc/23/05/77/388230577.db2.gz ZIZLOMSCZUMPGA-VXGBXAGGSA-N 0 3 242.363 0.850 20 0 BCADHN COCCN(CCC[C@H](C)O)[C@@H]1CCOC1 ZINC000490037366 388231287 /nfs/dbraw/zinc/23/12/87/388231287.db2.gz GEFYQJUXLBUUEP-NWDGAFQWSA-N 0 3 231.336 0.885 20 0 BCADHN CCOC[C@@H](O)CN(CCOC)[C@H]1CCOC1 ZINC000490054136 388232009 /nfs/dbraw/zinc/23/20/09/388232009.db2.gz BRXPBROYVUNXMF-RYUDHWBXSA-N 0 3 247.335 0.121 20 0 BCADHN CCOCCN(CCOC)[C@H]1CCOC1 ZINC000490046162 388232581 /nfs/dbraw/zinc/23/25/81/388232581.db2.gz OSZNXOWSWCTVDK-NSHDSACASA-N 0 3 217.309 0.760 20 0 BCADHN COCCN(CCCO)[C@@H]1CCOC1 ZINC000490075342 388233613 /nfs/dbraw/zinc/23/36/13/388233613.db2.gz XRKOXNJYIXNEPO-SNVBAGLBSA-N 0 3 203.282 0.106 20 0 BCADHN COCCN(CCCO)[C@H]1CCOC1 ZINC000490075341 388233814 /nfs/dbraw/zinc/23/38/14/388233814.db2.gz XRKOXNJYIXNEPO-JTQLQIEISA-N 0 3 203.282 0.106 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CCNC[C@](C)(F)C1 ZINC000449576286 388236761 /nfs/dbraw/zinc/23/67/61/388236761.db2.gz RIUWJAQWDYQMHB-PWSUYJOCSA-N 0 3 245.342 0.664 20 0 BCADHN CC[C@H]1CCN1C(=O)NCCOCCN(C)C ZINC000490249116 388237293 /nfs/dbraw/zinc/23/72/93/388237293.db2.gz PGDHAKUFVRXZJR-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCC(C)(C)O1 ZINC000490455257 388239404 /nfs/dbraw/zinc/23/94/04/388239404.db2.gz UPZHCCOSYQAYLX-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H]1CN(C(=O)[C@H]2CCCCN2C)CCN1 ZINC000646332350 388240546 /nfs/dbraw/zinc/24/05/46/388240546.db2.gz JCBZRXBRAYCVTP-WDEREUQCSA-N 0 3 225.336 0.291 20 0 BCADHN O=C(NCCN1CCCCC1)[C@H](O)C1CCC1 ZINC000449620984 388244603 /nfs/dbraw/zinc/24/46/03/388244603.db2.gz XRIFNQLKQJMYSL-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@H](O)CN1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000459450082 388244938 /nfs/dbraw/zinc/24/49/38/388244938.db2.gz YBROCKCYEDNREJ-WHOHXGKFSA-N 0 3 229.320 0.636 20 0 BCADHN CCOC(=O)[C@H](CC)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451627971 388285678 /nfs/dbraw/zinc/28/56/78/388285678.db2.gz IBYXCFQJXPTOMS-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN[C@@H]1CCC[C@H]1OC ZINC000451631492 388286249 /nfs/dbraw/zinc/28/62/49/388286249.db2.gz LQXWOHAHZUOWRP-FOGDFJRCSA-N 0 3 245.319 0.458 20 0 BCADHN CSCCN1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451669129 388288429 /nfs/dbraw/zinc/28/84/29/388288429.db2.gz UHQXNTDENGYAEF-PHIMTYICSA-N 0 3 232.393 0.736 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H]1CCSC1 ZINC000492014561 388331726 /nfs/dbraw/zinc/33/17/26/388331726.db2.gz BHDUYAUEWHTYJH-ZBJFTSOASA-N 0 3 214.334 0.726 20 0 BCADHN CO[C@@H](CN)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000261529668 135156598 /nfs/dbraw/zinc/15/65/98/135156598.db2.gz BHPYNHQGMLHSPP-YIZRAAEISA-N 0 3 200.282 0.360 20 0 BCADHN CC(=O)[C@@](C)(O)CN[C@H]1COCC1(C)C ZINC000451808952 388298022 /nfs/dbraw/zinc/29/80/22/388298022.db2.gz HVKHOKYBBAPAMV-ONGXEEELSA-N 0 3 215.293 0.341 20 0 BCADHN CC[C@H](C)N1CCN(Cc2nnnn2C)CC1 ZINC000451829657 388299415 /nfs/dbraw/zinc/29/94/15/388299415.db2.gz XULYCFQWTGFCFT-JTQLQIEISA-N 0 3 238.339 0.126 20 0 BCADHN C/C=C/C=C\C(=O)NCCN(C)CCOC ZINC000491577458 388304428 /nfs/dbraw/zinc/30/44/28/388304428.db2.gz WUTSMOSAGCOODU-DEQVHDEQSA-N 0 3 226.320 0.813 20 0 BCADHN CN(C)C/C=C\C(=O)NCC(F)(F)F ZINC000491621662 388305356 /nfs/dbraw/zinc/30/53/56/388305356.db2.gz AKNQPXVYGAGPMM-ARJAWSKDSA-N 0 3 210.199 0.783 20 0 BCADHN CC1(O)CCN(CCN2CCCC2=O)CC1 ZINC000177326293 256598314 /nfs/dbraw/zinc/59/83/14/256598314.db2.gz WODWOTIWTUQHLC-UHFFFAOYSA-N 0 3 226.320 0.456 20 0 BCADHN CN(C)C/C=C/C(=O)NCC1(C)COC1 ZINC000491841621 388324380 /nfs/dbraw/zinc/32/43/80/388324380.db2.gz COQSWUZRXKDAKQ-SNAWJCMRSA-N 0 3 212.293 0.257 20 0 BCADHN CN(C)CC=CC(=O)Nc1ccncc1 ZINC000491863348 388325138 /nfs/dbraw/zinc/32/51/38/388325138.db2.gz DPKKLAXHKHBRQR-ARJAWSKDSA-N 0 3 205.261 0.560 20 0 BCADHN COC(=O)N1CC(N[C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000497175350 256610118 /nfs/dbraw/zinc/61/01/18/256610118.db2.gz DADDCNXFLXMEEC-OYNCUSHFSA-N 0 3 228.292 0.593 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCc2cncnc2C1 ZINC000491869310 388325402 /nfs/dbraw/zinc/32/54/02/388325402.db2.gz NAMHUHVMGIHRPY-ONEGZZNKSA-N 0 3 246.314 0.479 20 0 BCADHN CN(C)C/C=C\C(=O)Nc1ccc(=O)n(C)c1 ZINC000491873065 388325596 /nfs/dbraw/zinc/32/55/96/388325596.db2.gz SSXFDFQBNMPHJN-PLNGDYQASA-N 0 3 235.287 0.442 20 0 BCADHN CN1CCC[C@H]1CNC(=O)/C=C\c1ccnn1C ZINC000491872383 388325614 /nfs/dbraw/zinc/32/56/14/388325614.db2.gz RBGGPKYJGUSSMT-FJOGCWAESA-N 0 3 248.330 0.644 20 0 BCADHN COC[C@H]1CCCN(C(=O)/C=C\CN(C)C)C1 ZINC000491879622 388325847 /nfs/dbraw/zinc/32/58/47/388325847.db2.gz AVWYQFMNMSCIQU-HWPRWLFBSA-N 0 3 240.347 0.989 20 0 BCADHN COC[C@H]1CCCN(C(=O)/C=C/CN(C)C)C1 ZINC000491879623 388325913 /nfs/dbraw/zinc/32/59/13/388325913.db2.gz AVWYQFMNMSCIQU-PZBABLGHSA-N 0 3 240.347 0.989 20 0 BCADHN C[C@H](Cn1ccnc1)NC(=O)/C=C\CN(C)C ZINC000491883161 388326061 /nfs/dbraw/zinc/32/60/61/388326061.db2.gz KLGZSZFPCHIHBN-DOGVGXBMSA-N 0 3 236.319 0.506 20 0 BCADHN Cc1noc(CNC(=O)/C=C/CN(C)C)n1 ZINC000491881840 388326083 /nfs/dbraw/zinc/32/60/83/388326083.db2.gz HKSVGZBSZSWZPN-SNAWJCMRSA-N 0 3 224.264 0.112 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCn2ccnc2C1 ZINC000491884586 388326176 /nfs/dbraw/zinc/32/61/76/388326176.db2.gz NSWLDFITOSGPRD-ONEGZZNKSA-N 0 3 234.303 0.343 20 0 BCADHN COC[C@H](NC(=O)/C=C/CN(C)C)C(C)C ZINC000491940108 388327804 /nfs/dbraw/zinc/32/78/04/388327804.db2.gz PUYDHQRKTLIPEG-MLRMMBSGSA-N 0 3 228.336 0.891 20 0 BCADHN CCc1cc(CNC(=O)/C=C\CN(C)C)on1 ZINC000491925256 388328107 /nfs/dbraw/zinc/32/81/07/388328107.db2.gz MIBLOJIDMFSNAE-WAYWQWQTSA-N 0 3 237.303 0.971 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@@](C)(O)C1CC1 ZINC000491937288 388328544 /nfs/dbraw/zinc/32/85/44/388328544.db2.gz IHDRIIHSEKWGCY-ZYOFXKKJSA-N 0 3 226.320 0.381 20 0 BCADHN CCc1cnc(CNC(=O)/C=C\CN(C)C)o1 ZINC000491978036 388330367 /nfs/dbraw/zinc/33/03/67/388330367.db2.gz AVTOAZSFVOFTFT-WAYWQWQTSA-N 0 3 237.303 0.971 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@@H]1CCCC1=O ZINC000491984623 388330564 /nfs/dbraw/zinc/33/05/64/388330564.db2.gz QGSUXYLOGLIERB-VAWSOJLPSA-N 0 3 224.304 0.590 20 0 BCADHN COC(=O)CN(C(=O)/C=C/CN(C)C)C1CC1 ZINC000491984512 388330596 /nfs/dbraw/zinc/33/05/96/388330596.db2.gz PWCKJOVFLOSQOS-SNAWJCMRSA-N 0 3 240.303 0.268 20 0 BCADHN Cc1n[nH]cc1CN[C@H]1C[C@H](O)C1(C)C ZINC000163343543 388261502 /nfs/dbraw/zinc/26/15/02/388261502.db2.gz ODLWMTPWJZVHJD-UWVGGRQHSA-N 0 3 209.293 0.967 20 0 BCADHN CON1CCC(NC[C@H](O)C(F)(F)F)CC1 ZINC000323471454 388264935 /nfs/dbraw/zinc/26/49/35/388264935.db2.gz JTPXUVULOSDWHL-QMMMGPOBSA-N 0 3 242.241 0.525 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)/C=C\CN(C)C ZINC000491993482 388330968 /nfs/dbraw/zinc/33/09/68/388330968.db2.gz SZMJLTLMZDLEJO-SMWNKPDJSA-N 0 3 214.309 0.644 20 0 BCADHN CCOC(=O)N(C)C1CCN(CCCO)CC1 ZINC000491114393 388270368 /nfs/dbraw/zinc/27/03/68/388270368.db2.gz KDMFLYOHAUPOFX-UHFFFAOYSA-N 0 3 244.335 0.922 20 0 BCADHN COC(=O)C1(CN2CC[C@@](O)(C(F)F)C2)CC1 ZINC000451441928 388272313 /nfs/dbraw/zinc/27/23/13/388272313.db2.gz ZNNVSLNESHPBRF-NSHDSACASA-N 0 3 249.257 0.642 20 0 BCADHN CCOC(=O)CCN1CC[C@@](O)(C(F)F)C1 ZINC000451434249 388273077 /nfs/dbraw/zinc/27/30/77/388273077.db2.gz HWQSLTYJRGKAFM-JTQLQIEISA-N 0 3 237.246 0.642 20 0 BCADHN COC[C@@H](C)N1CC[C@](O)(C(F)F)C1 ZINC000451438247 388273088 /nfs/dbraw/zinc/27/30/88/388273088.db2.gz UPDJHLUGLGYYHF-VXNVDRBHSA-N 0 3 209.236 0.723 20 0 BCADHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)N2CCC2)C1(C)C ZINC000451498750 388277694 /nfs/dbraw/zinc/27/76/94/388277694.db2.gz DYGWMAXHKLCHGB-ADEWGFFLSA-N 0 3 240.347 0.868 20 0 BCADHN CCO[C@@H]1CCN(CC(=O)N(C)C)C[C@@H]1C ZINC000451523704 388279211 /nfs/dbraw/zinc/27/92/11/388279211.db2.gz JWXSHEXIJAHMFJ-WDEREUQCSA-N 0 3 228.336 0.822 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCN(C)CC1(C)C ZINC000492282741 388340345 /nfs/dbraw/zinc/34/03/45/388340345.db2.gz HYXPOBHTEARMFL-VOTSOKGWSA-N 0 3 239.363 0.657 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)Cc1nccn1C ZINC000492285388 388340425 /nfs/dbraw/zinc/34/04/25/388340425.db2.gz XMJZRUUCWNVRHD-WAYWQWQTSA-N 0 3 236.319 0.496 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)/C=C\CN(C)C)CCO1 ZINC000492338151 388341966 /nfs/dbraw/zinc/34/19/66/388341966.db2.gz CFIVIVUWCVMLIX-KWKBKKAHSA-N 0 3 226.320 0.788 20 0 BCADHN C[C@@H](CO)CNC(=O)NC1CCN(C)CC1 ZINC000193790010 256685632 /nfs/dbraw/zinc/68/56/32/256685632.db2.gz NTTBZTTZIWMOBI-SECBINFHSA-N 0 3 229.324 0.008 20 0 BCADHN COc1ccc(/C=C/C(=O)NCCN(C)C)nc1 ZINC000492441066 388344302 /nfs/dbraw/zinc/34/43/02/388344302.db2.gz MYNRXSQPXYHBST-FNORWQNLSA-N 0 3 249.314 0.781 20 0 BCADHN CC[C@H]1C[C@@H](NC(=O)CNC)CCO1 ZINC000646388707 388348372 /nfs/dbraw/zinc/34/83/72/388348372.db2.gz ZHEMYELOEDYSCX-IUCAKERBSA-N 0 3 200.282 0.280 20 0 BCADHN C[C@H](O)CN[C@H](CO)CC(F)(F)F ZINC000516570269 388349168 /nfs/dbraw/zinc/34/91/68/388349168.db2.gz QDPPTSZPKAAUJC-WDSKDSINSA-N 0 3 201.188 0.270 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000516568598 388349412 /nfs/dbraw/zinc/34/94/12/388349412.db2.gz NOOKWAHHEUOMFP-VXGBXAGGSA-N 0 3 240.347 0.999 20 0 BCADHN C[NH2+][C@@H](C)CNC(=O)c1cccc(OC)c1[O-] ZINC000234428966 388355369 /nfs/dbraw/zinc/35/53/69/388355369.db2.gz KGMGEECCOBBOSJ-QMMMGPOBSA-N 0 3 238.287 0.739 20 0 BCADHN CN(C[C@H]1CCCOC1)C(=O)[C@@H]1NCC1(C)C ZINC000646432070 388358269 /nfs/dbraw/zinc/35/82/69/388358269.db2.gz JJESRFPUVKDPKD-MNOVXSKESA-N 0 3 240.347 0.869 20 0 BCADHN Cc1sccc1CNCCNS(C)(=O)=O ZINC000293668352 388358296 /nfs/dbraw/zinc/35/82/96/388358296.db2.gz UPHYTMBLGMHQPA-UHFFFAOYSA-N 0 3 248.373 0.695 20 0 BCADHN COC[C@H](O)CN[C@@H](C)c1ccnn1C ZINC000234729604 388359140 /nfs/dbraw/zinc/35/91/40/388359140.db2.gz QUAIRSQHEWLHPK-DTWKUNHWSA-N 0 3 213.281 0.078 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1ccnn1C ZINC000234683294 388359160 /nfs/dbraw/zinc/35/91/60/388359160.db2.gz QUAIRSQHEWLHPK-IUCAKERBSA-N 0 3 213.281 0.078 20 0 BCADHN CC1(C)CN[C@H]1C(=O)Nc1cncnc1 ZINC000646436708 388359289 /nfs/dbraw/zinc/35/92/89/388359289.db2.gz 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GOMAAQHDFVUVFN-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN O=C1NCC[C@H]1CCN1CC[C@@](O)(C(F)F)C1 ZINC000572613939 388361353 /nfs/dbraw/zinc/36/13/53/388361353.db2.gz RCTNIFNZKMDUMA-KWQFWETISA-N 0 3 248.273 0.215 20 0 BCADHN CCN(CC)C(=O)CN[C@H]1C[C@@H](O)C1(C)C ZINC000163417657 388361953 /nfs/dbraw/zinc/36/19/53/388361953.db2.gz CNVFXEULKVLFIH-VHSXEESVSA-N 0 3 228.336 0.604 20 0 BCADHN CNCC(=O)NC[C@@H](C)c1nc(C)cs1 ZINC000646467249 388363147 /nfs/dbraw/zinc/36/31/47/388363147.db2.gz VUESRDYKAYASOH-SSDOTTSWSA-N 0 3 227.333 0.891 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@@H](C)[C@@H]1CO ZINC000305171306 388366857 /nfs/dbraw/zinc/36/68/57/388366857.db2.gz JREHEISMFKZLRR-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1CNCCN1C(=O)c1coc(CN)c1 ZINC000646657674 388405339 /nfs/dbraw/zinc/40/53/39/388405339.db2.gz LXKWKARQBIYCTG-MRVPVSSYSA-N 0 3 223.276 0.172 20 0 BCADHN Cn1ccc(CNCCCn2ccnn2)n1 ZINC000163847259 388368977 /nfs/dbraw/zinc/36/89/77/388368977.db2.gz JQZOUBAXPSHYNT-UHFFFAOYSA-N 0 3 220.280 0.192 20 0 BCADHN C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)N(C)C ZINC000235516364 388370877 /nfs/dbraw/zinc/37/08/77/388370877.db2.gz ULVASRIINFZEAH-IQJOONFLSA-N 0 3 214.309 0.620 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C[S@](C)=O ZINC000164083084 388373071 /nfs/dbraw/zinc/37/30/71/388373071.db2.gz VSCKKYMOKXNMFS-CRSPLOBGSA-N 0 3 234.365 0.243 20 0 BCADHN OC[C@@H]1CN(CCOc2ccccc2)C[C@@H]1O ZINC000316063989 388405538 /nfs/dbraw/zinc/40/55/38/388405538.db2.gz HKSBNSYTUOEQMK-AAEUAGOBSA-N 0 3 237.299 0.350 20 0 BCADHN C[C@H](O)C[C@H]1COCCN1CC[C@H]1CCOC1 ZINC000519560474 256651464 /nfs/dbraw/zinc/65/14/64/256651464.db2.gz CPBQSEUXHIHIHI-AVGNSLFASA-N 0 3 243.347 0.885 20 0 BCADHN COCCOCC(=O)NCCN1CC[C@H](C)C1 ZINC000524720694 388377227 /nfs/dbraw/zinc/37/72/27/388377227.db2.gz OBBPIHSSAXSWLO-NSHDSACASA-N 0 3 244.335 0.107 20 0 BCADHN NC(=O)[C@]1(NCCCc2ccccc2)CCOC1 ZINC000519644149 256653936 /nfs/dbraw/zinc/65/39/36/256653936.db2.gz IYLATOWBJZXXSJ-AWEZNQCLSA-N 0 3 248.326 0.853 20 0 BCADHN CC[C@@H](N)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000646551110 388380170 /nfs/dbraw/zinc/38/01/70/388380170.db2.gz FLZVOZFNEQWCAO-SNVBAGLBSA-N 0 3 235.287 0.409 20 0 BCADHN CCCNC(=O)CN[C@@H]1CO[C@H](C)C1 ZINC000401954228 388381543 /nfs/dbraw/zinc/38/15/43/388381543.db2.gz WYSJQJKURYSZLX-BDAKNGLRSA-N 0 3 200.282 0.280 20 0 BCADHN CC(C)[C@H]1OCCC[C@H]1CNC(=O)CN ZINC000236615726 388381541 /nfs/dbraw/zinc/38/15/41/388381541.db2.gz IFRFIBMHQVGIRP-GXSJLCMTSA-N 0 3 214.309 0.513 20 0 BCADHN N[C@H](C(=O)N[C@H]1CCc2n[nH]cc2C1)C1CCC1 ZINC000519776863 256659590 /nfs/dbraw/zinc/65/95/90/256659590.db2.gz WJLINWGBRIDHLA-JQWIXIFHSA-N 0 3 248.330 0.511 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)C1(N)CC1 ZINC000236867102 388384741 /nfs/dbraw/zinc/38/47/41/388384741.db2.gz BGJKVYSXDWMZDE-HTQZYQBOSA-N 0 3 200.282 0.001 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](CCO)CC(C)C ZINC000236903528 388386277 /nfs/dbraw/zinc/38/62/77/388386277.db2.gz MCLGFLNGYWTKPP-QWRGUYRKSA-N 0 3 230.352 0.885 20 0 BCADHN CCOc1cccnc1C(=O)N1CCCNCC1 ZINC000237003115 388387160 /nfs/dbraw/zinc/38/71/60/388387160.db2.gz ARTDKRIPLKVDNG-UHFFFAOYSA-N 0 3 249.314 0.916 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000236964057 388387236 /nfs/dbraw/zinc/38/72/36/388387236.db2.gz HNBCFOPDFLTLDR-IEBDPFPHSA-N 0 3 241.335 0.097 20 0 BCADHN CO[C@@H]1CC[C@@H](NCc2cnnn2C)C1 ZINC000231681012 388387441 /nfs/dbraw/zinc/38/74/41/388387441.db2.gz NNAYZUJTIZRBAB-PSASIEDQSA-N 0 3 210.281 0.472 20 0 BCADHN CN(C(=O)CNC[C@@H]1CCCO1)C1CCC1 ZINC000237031231 388387647 /nfs/dbraw/zinc/38/76/47/388387647.db2.gz HGYSYFSEDZQQMB-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN Cc1ccc(N(C)C(=O)[C@@H]2C[C@H](O)CN2)cc1 ZINC000237072185 388388265 /nfs/dbraw/zinc/38/82/65/388388265.db2.gz YJSSQBPXKFHFEP-RYUDHWBXSA-N 0 3 234.299 0.681 20 0 BCADHN COC(C)(C)CNC(=O)CNC[C@H]1CCCO1 ZINC000237129266 388389562 /nfs/dbraw/zinc/38/95/62/388389562.db2.gz AVCLSSNGANWZED-SNVBAGLBSA-N 0 3 244.335 0.296 20 0 BCADHN CNC(=O)C1(C(=O)Nc2cccc(CN)c2)CC1 ZINC000646580112 388389841 /nfs/dbraw/zinc/38/98/41/388389841.db2.gz XSSMKQGHIJBLGU-UHFFFAOYSA-N 0 3 247.298 0.610 20 0 BCADHN C[N@@H+]1CC[C@@H]2CN(Cc3ncccc3[O-])C[C@@H]21 ZINC000572930260 388390338 /nfs/dbraw/zinc/39/03/38/388390338.db2.gz YATARFULUPRRRG-PWSUYJOCSA-N 0 3 233.315 0.923 20 0 BCADHN C[N@H+]1CC[C@@H]2CN(Cc3ncccc3[O-])C[C@@H]21 ZINC000572930260 388390339 /nfs/dbraw/zinc/39/03/39/388390339.db2.gz YATARFULUPRRRG-PWSUYJOCSA-N 0 3 233.315 0.923 20 0 BCADHN COC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000193024632 388391392 /nfs/dbraw/zinc/39/13/92/388391392.db2.gz RAMZSEIUNKGLIN-WHFBIAKZSA-N 0 3 225.166 0.617 20 0 BCADHN CN(Cc1nc2ccccc2n1C)C(=O)CN ZINC000237251136 388392085 /nfs/dbraw/zinc/39/20/85/388392085.db2.gz MRRNJYQYLRGINP-UHFFFAOYSA-N 0 3 232.287 0.490 20 0 BCADHN COc1nccc(CNCC[C@H](C)OC)n1 ZINC000294952509 388406420 /nfs/dbraw/zinc/40/64/20/388406420.db2.gz FNISYGDWWQYTBW-VIFPVBQESA-N 0 3 225.292 1.000 20 0 BCADHN COc1ccccc1[C@H](N)CNC(=O)[C@H](C)N ZINC000646600429 388393639 /nfs/dbraw/zinc/39/36/39/388393639.db2.gz LYIOQPQVCBJRQQ-WCBMZHEXSA-N 0 3 237.303 0.158 20 0 BCADHN CC[C@@H](CO)N(C)Cc1ccnc(N)c1 ZINC000293986413 388393710 /nfs/dbraw/zinc/39/37/10/388393710.db2.gz WBGFPYDUKPZKLF-JTQLQIEISA-N 0 3 209.293 0.867 20 0 BCADHN CC(C)[C@H](N)c1cn(CC[C@H](C)O)nn1 ZINC000300962969 388395325 /nfs/dbraw/zinc/39/53/25/388395325.db2.gz REKXFTXJKONBKT-WPRPVWTQSA-N 0 3 212.297 0.705 20 0 BCADHN CN(C(=O)CC(F)(F)CN)C1CCN(C)CC1 ZINC000573013908 388406631 /nfs/dbraw/zinc/40/66/31/388406631.db2.gz KSHCFNAJDKIAAR-UHFFFAOYSA-N 0 3 249.305 0.523 20 0 BCADHN C[C@@H]1OCC[C@@H]1NC[C@@H]1CCCS1(=O)=O ZINC000134216567 388395607 /nfs/dbraw/zinc/39/56/07/388395607.db2.gz RZGAPDCJJWOMDY-GUBZILKMSA-N 0 3 233.333 0.331 20 0 BCADHN CCn1cncc1CN[C@H](CO)CCOC ZINC000300806890 388396158 /nfs/dbraw/zinc/39/61/58/388396158.db2.gz FHZALYZVBYYFHL-JTQLQIEISA-N 0 3 227.308 0.390 20 0 BCADHN COCC[C@H](CO)NCc1c(C)noc1C ZINC000300831470 388396856 /nfs/dbraw/zinc/39/68/56/388396856.db2.gz IHSQJTPYKCTBLY-SNVBAGLBSA-N 0 3 228.292 0.778 20 0 BCADHN C[C@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000237548139 388397059 /nfs/dbraw/zinc/39/70/59/388397059.db2.gz JIZUWBGSEVWNFG-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN Cc1ccnc(NC(=O)[C@@H]2C[C@@H](O)CN2)c1 ZINC000237779139 388398627 /nfs/dbraw/zinc/39/86/27/388398627.db2.gz AMNSVLKSIWXPTG-BDAKNGLRSA-N 0 3 221.260 0.051 20 0 BCADHN CC[C@@H](C(N)=O)n1cc([C@@H](N)C(C)C)nn1 ZINC000300863453 388399303 /nfs/dbraw/zinc/39/93/03/388399303.db2.gz GTKWEAYRELVSCK-IUCAKERBSA-N 0 3 225.296 0.370 20 0 BCADHN C[C@@H]1[C@H](C(=O)N2CCC(=O)CC2)CCN1C ZINC000648725956 388400113 /nfs/dbraw/zinc/40/01/13/388400113.db2.gz NYJYPAKAWILZHH-MWLCHTKSSA-N 0 3 224.304 0.518 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCOC[C@@H]2C)C1 ZINC000572984362 388402512 /nfs/dbraw/zinc/40/25/12/388402512.db2.gz AZEJGHGWRSUEAJ-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@@]1(C)CCCO1 ZINC000492058741 388333360 /nfs/dbraw/zinc/33/33/60/388333360.db2.gz PZSYRSZTKXYNIS-FVOPLDGLSA-N 0 3 226.320 0.790 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)CCOCC1CC1 ZINC000492073627 388333791 /nfs/dbraw/zinc/33/37/91/388333791.db2.gz OLAZGKOXRNWYPP-PLNGDYQASA-N 0 3 240.347 0.989 20 0 BCADHN Cc1nc[nH]c1CNC(=O)/C=C\CN(C)C ZINC000492113695 388335341 /nfs/dbraw/zinc/33/53/41/388335341.db2.gz XRAJFHASKSMYOE-PLNGDYQASA-N 0 3 222.292 0.452 20 0 BCADHN CN(C)C/C=C\C(=O)NCCc1cscn1 ZINC000492140318 388336384 /nfs/dbraw/zinc/33/63/84/388336384.db2.gz XAFCJMDOISGPIF-ARJAWSKDSA-N 0 3 239.344 0.920 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)CC(C)(C)O ZINC000492165954 388337002 /nfs/dbraw/zinc/33/70/02/388337002.db2.gz VHNJJISCXVSDMS-SREVYHEPSA-N 0 3 214.309 0.334 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000492169082 388337399 /nfs/dbraw/zinc/33/73/99/388337399.db2.gz LKZGCKLCNWEXOD-BYCRGOAPSA-N 0 3 248.330 0.501 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)/C=C/C1CCC1 ZINC000492188271 388337767 /nfs/dbraw/zinc/33/77/67/388337767.db2.gz BSCNDKNLFOQWNX-SBDDDAINSA-N 0 3 240.347 0.772 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@@H]1COC(C)(C)O1 ZINC000492184722 388337782 /nfs/dbraw/zinc/33/77/82/388337782.db2.gz VRJZCDVFCSCFDW-WWQCOOJYSA-N 0 3 242.319 0.372 20 0 BCADHN CNC(=O)CCCN(C)C(=O)/C=C\CN(C)C ZINC000492198834 388337895 /nfs/dbraw/zinc/33/78/95/388337895.db2.gz OJEZABMLDZJRQW-VURMDHGXSA-N 0 3 241.335 0.089 20 0 BCADHN COC[C@@H](NC(=O)/C=C\CN(C)C)C1CC1 ZINC000492204136 388338168 /nfs/dbraw/zinc/33/81/68/388338168.db2.gz INMGNCBRSPNJHM-DOGVGXBMSA-N 0 3 226.320 0.645 20 0 BCADHN CN(C)C/C=C/C(=O)NCc1cccc(F)n1 ZINC000492204789 388338338 /nfs/dbraw/zinc/33/83/38/388338338.db2.gz OJZWNPQCPGTEOB-QPJJXVBHSA-N 0 3 237.278 0.955 20 0 BCADHN CN(C)C/C=C\C(=O)NCc1ccn(C)n1 ZINC000492263925 388339602 /nfs/dbraw/zinc/33/96/02/388339602.db2.gz UTDWOAYOWHAESU-PLNGDYQASA-N 0 3 222.292 0.154 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCC[C@@H]1C(C)(C)O ZINC000492277274 388340060 /nfs/dbraw/zinc/34/00/60/388340060.db2.gz NVMDVCNBMKZOFZ-LXSSAFMLSA-N 0 3 240.347 0.866 20 0 BCADHN O=C([C@@H]1CCCCO1)N1CCN2CCC[C@H]2C1 ZINC000246208361 388440140 /nfs/dbraw/zinc/44/01/40/388440140.db2.gz NQQMQBOOWDBSPE-RYUDHWBXSA-N 0 3 238.331 0.862 20 0 BCADHN O=C([C@H]1CCCOC1)N1CCN2CCC[C@H]2C1 ZINC000246202193 388440361 /nfs/dbraw/zinc/44/03/61/388440361.db2.gz MEULXQCPYRHQHW-RYUDHWBXSA-N 0 3 238.331 0.720 20 0 BCADHN NC(=O)[C@H]1CCCN(CC2(F)CC2)C1 ZINC000525977165 388440357 /nfs/dbraw/zinc/44/03/57/388440357.db2.gz ZASGLDUFSUATAH-QMMMGPOBSA-N 0 3 200.257 0.686 20 0 BCADHN NC(=O)[C@@H]1CCCN(CC2(F)CC2)C1 ZINC000525977164 388440430 /nfs/dbraw/zinc/44/04/30/388440430.db2.gz ZASGLDUFSUATAH-MRVPVSSYSA-N 0 3 200.257 0.686 20 0 BCADHN CN(C)CC(C)(C)NS(=O)(=O)c1c[nH]cn1 ZINC000308687052 388447721 /nfs/dbraw/zinc/44/77/21/388447721.db2.gz FBKOOBBAIIAFDW-UHFFFAOYSA-N 0 3 246.336 0.028 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC2(O)CCC2)CCCO1 ZINC000528367524 388451621 /nfs/dbraw/zinc/45/16/21/388451621.db2.gz JINCDWUEPKDHFW-NEPJUHHUSA-N 0 3 243.347 0.763 20 0 BCADHN CCN(C)CCNC(=O)c1ncncc1Cl ZINC000176494740 388453486 /nfs/dbraw/zinc/45/34/86/388453486.db2.gz IFOXVSXKKILJPT-UHFFFAOYSA-N 0 3 242.710 0.812 20 0 BCADHN C[C@H](CNC(=O)c1ccc(=O)[nH]c1)N1CCCC1 ZINC000042506795 388458582 /nfs/dbraw/zinc/45/85/82/388458582.db2.gz RUZHURADIDKDQM-SNVBAGLBSA-N 0 3 249.314 0.589 20 0 BCADHN COC[C@@H](C)N(C)C(=O)[C@H](N)CC(F)F ZINC000336658907 388460205 /nfs/dbraw/zinc/46/02/05/388460205.db2.gz BHTDYVAFLFOLBT-RNFRBKRXSA-N 0 3 224.251 0.462 20 0 BCADHN C[C@@H](N[C@@H](C)CN(C)C)c1ccc(=O)[nH]n1 ZINC000336659564 388460218 /nfs/dbraw/zinc/46/02/18/388460218.db2.gz CAFZMVNLPPNLIU-DTWKUNHWSA-N 0 3 224.308 0.783 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@H](N)CC(F)F ZINC000336676566 388462729 /nfs/dbraw/zinc/46/27/29/388462729.db2.gz HSDDRBOXOSQOMO-RNFRBKRXSA-N 0 3 224.251 0.246 20 0 BCADHN CS[C@@H](C)C(=O)NCCNc1ccncc1 ZINC000336712256 388466496 /nfs/dbraw/zinc/46/64/96/388466496.db2.gz SQLZQNNNYLLNSA-VIFPVBQESA-N 0 3 239.344 0.783 20 0 BCADHN CNCCN(C)S(=O)(=O)c1cc(C)oc1C ZINC000440851871 388467686 /nfs/dbraw/zinc/46/76/86/388467686.db2.gz WOUQYFZBYUWOCK-UHFFFAOYSA-N 0 3 246.332 0.736 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NCCN1CCCCC1 ZINC000336715412 388467966 /nfs/dbraw/zinc/46/79/66/388467966.db2.gz PPHSQZHNGZFCRQ-VIFPVBQESA-N 0 3 249.305 0.571 20 0 BCADHN COC[C@@H](C)N(C)C[C@H]1COCCO1 ZINC000649249308 388468962 /nfs/dbraw/zinc/46/89/62/388468962.db2.gz KAJDFDRZNCMVPX-ZJUUUORDSA-N 0 3 203.282 0.369 20 0 BCADHN CO[C@H](CNC(=O)C1(N)CCOCC1)C(C)C ZINC000338151113 388475144 /nfs/dbraw/zinc/47/51/44/388475144.db2.gz CXQTXJWDTXWPRP-SNVBAGLBSA-N 0 3 244.335 0.282 20 0 BCADHN CCOC[C@H](O)CN1CCOC[C@@H](C)C1 ZINC000338255423 388475292 /nfs/dbraw/zinc/47/52/92/388475292.db2.gz ULGUKMSYIZBRSM-WDEREUQCSA-N 0 3 217.309 0.352 20 0 BCADHN C[C@H](O)[C@H](C)NCc1nnc(-c2ccncc2)[nH]1 ZINC000516454441 388477696 /nfs/dbraw/zinc/47/76/96/388477696.db2.gz QANNVWYOMAZLPL-IUCAKERBSA-N 0 3 247.302 0.726 20 0 BCADHN CCN(CC)CC(=O)N(C)C[C@@H]1CCOC1 ZINC000177253987 388478571 /nfs/dbraw/zinc/47/85/71/388478571.db2.gz MRQXWHAMIWZQIK-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN CCOCC(=O)NCCN1CC[C@H](C)C1 ZINC000524775030 388409200 /nfs/dbraw/zinc/40/92/00/388409200.db2.gz MYWNLNQRBJMIHH-JTQLQIEISA-N 0 3 214.309 0.481 20 0 BCADHN CO[C@H](C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000524774566 388409240 /nfs/dbraw/zinc/40/92/40/388409240.db2.gz OZINCIZFZRUWDU-NXEZZACHSA-N 0 3 214.309 0.479 20 0 BCADHN COc1nccc(CN[C@@H]2CCCC[C@H]2O)n1 ZINC000295334291 388411356 /nfs/dbraw/zinc/41/13/56/388411356.db2.gz ZTCUATWWDCVQPT-GHMZBOCLSA-N 0 3 237.303 0.878 20 0 BCADHN CNC(=O)CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000245202883 388414024 /nfs/dbraw/zinc/41/40/24/388414024.db2.gz ISIRBGMYOAGJRD-KXUCPTDWSA-N 0 3 241.335 0.110 20 0 BCADHN CCC(=O)N1CCCN(C[C@@H]2CCOC2)CC1 ZINC000525119983 388416743 /nfs/dbraw/zinc/41/67/43/388416743.db2.gz HXLKBLQBNSWHID-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NC[C@]1(C)CCOC1 ZINC000397232735 388421577 /nfs/dbraw/zinc/42/15/77/388421577.db2.gz NKNSHYVMMHJSLX-SKDRFNHKSA-N 0 3 228.336 0.903 20 0 BCADHN CCC[C@H](C)[C@@H](CO)NCC(=O)N1CCC1 ZINC000573124422 388421730 /nfs/dbraw/zinc/42/17/30/388421730.db2.gz ZUVKFMJLZNZJLM-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2cnn(C)c2)C1 ZINC000525292105 388424284 /nfs/dbraw/zinc/42/42/84/388424284.db2.gz ISTSONLTYNHBTM-JTQLQIEISA-N 0 3 236.319 0.492 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@H]2CCCOC2)C1 ZINC000525291488 388424777 /nfs/dbraw/zinc/42/47/77/388424777.db2.gz IPLSZVDMVDMMDD-NEPJUHHUSA-N 0 3 240.347 0.871 20 0 BCADHN COC[C@@H](C)CNCc1ccnc(OC)n1 ZINC000296595458 388425163 /nfs/dbraw/zinc/42/51/63/388425163.db2.gz YANCLZUIYHVUHP-VIFPVBQESA-N 0 3 225.292 0.857 20 0 BCADHN C[C@H]1CCCCN1CCNC(=O)C(C)(C)CO ZINC000573180030 388428647 /nfs/dbraw/zinc/42/86/47/388428647.db2.gz YPBBTSBKYXLKGN-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CO[C@@H]1CCC[C@H]1NC[C@H]1CN(C)C(=O)O1 ZINC000393507844 388432231 /nfs/dbraw/zinc/43/22/31/388432231.db2.gz HYRBQKLEZPWDBO-IVZWLZJFSA-N 0 3 228.292 0.594 20 0 BCADHN COC(=O)CNC(=O)CN(CC(C)C)C1CC1 ZINC000193790483 388434180 /nfs/dbraw/zinc/43/41/80/388434180.db2.gz NGSYKTOVLBLRLP-UHFFFAOYSA-N 0 3 242.319 0.396 20 0 BCADHN CNC(=O)C[C@@H](C)N[C@H]1C[C@@H]1C(F)F ZINC000393555667 388434427 /nfs/dbraw/zinc/43/44/27/388434427.db2.gz LMSSOIGDZOIMTK-VQVTYTSYSA-N 0 3 206.236 0.754 20 0 BCADHN CCOC[C@H](C)N[C@@H](C(=O)NC)C(C)C ZINC000134830236 388480074 /nfs/dbraw/zinc/48/00/74/388480074.db2.gz ZDSDMRNLZAGNFH-VHSXEESVSA-N 0 3 216.325 0.772 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCOCC2)C[C@H]1C ZINC000245951114 388434863 /nfs/dbraw/zinc/43/48/63/388434863.db2.gz SNSRMEMQKZMKBR-VXGBXAGGSA-N 0 3 240.347 0.823 20 0 BCADHN CCN(CC[C@H]1CCNC1=O)C1COC1 ZINC000573263759 388436710 /nfs/dbraw/zinc/43/67/10/388436710.db2.gz IFBQTWWATULMKF-SECBINFHSA-N 0 3 212.293 0.233 20 0 BCADHN CC(C)[C@H]1CN(CC[C@@H]2CCNC2=O)CCO1 ZINC000573263344 388437074 /nfs/dbraw/zinc/43/70/74/388437074.db2.gz WJKOMTVJTWFKGO-NWDGAFQWSA-N 0 3 240.347 0.869 20 0 BCADHN CO[C@H]1C[C@H](NCC(=O)NC2CC2)C12CCC2 ZINC000308394273 388437655 /nfs/dbraw/zinc/43/76/55/388437655.db2.gz NVBFNNDZOMGPTN-QWRGUYRKSA-N 0 3 238.331 0.812 20 0 BCADHN CO[C@@]1(CNCc2c(C)cnn2C)CCOC1 ZINC000352732695 388538693 /nfs/dbraw/zinc/53/86/93/388538693.db2.gz PGPUVNJOMJXBHK-GFCCVEGCSA-N 0 3 239.319 0.624 20 0 BCADHN C[C@H]1[C@@H](N[C@H]2CCSC2)CCS1(=O)=O ZINC000517191085 388540656 /nfs/dbraw/zinc/54/06/56/388540656.db2.gz MLJZYVURGFDGSV-CIUDSAMLSA-N 0 3 235.374 0.657 20 0 BCADHN CSCC[C@H](N)C(=O)N(C)C[C@H]1CCOC1 ZINC000353214161 388540776 /nfs/dbraw/zinc/54/07/76/388540776.db2.gz QXSGFDOJJCVVOA-ZJUUUORDSA-N 0 3 246.376 0.562 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)Cc1cc[nH]n1 ZINC000353665295 388542766 /nfs/dbraw/zinc/54/27/66/388542766.db2.gz SMNDZRVZXUVOHI-NSHDSACASA-N 0 3 224.308 0.886 20 0 BCADHN CC[C@H](N[C@@H](COC)C1CC1)C(N)=O ZINC000136648280 388542987 /nfs/dbraw/zinc/54/29/87/388542987.db2.gz RVPVULBMRWXAOX-IUCAKERBSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@H](O)CN[C@H]1CCCN(c2cccnc2)C1=O ZINC000517231865 388543047 /nfs/dbraw/zinc/54/30/47/388543047.db2.gz SITXSENMQFYOAJ-JQWIXIFHSA-N 0 3 249.314 0.547 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@@H](O)CC1(O)CCC1 ZINC000528526013 388544138 /nfs/dbraw/zinc/54/41/38/388544138.db2.gz HXCJKGCFUXFHAU-UTUOFQBUSA-N 0 3 243.347 0.498 20 0 BCADHN CCOC[C@@H](O)CNCc1ccnn1C(C)C ZINC000354503772 388544870 /nfs/dbraw/zinc/54/48/70/388544870.db2.gz ORTQGQIALLWWCE-LBPRGKRZSA-N 0 3 241.335 0.951 20 0 BCADHN CCC[C@H](C)C(=O)NCC1(O)CCN(C)CC1 ZINC000354751409 388545137 /nfs/dbraw/zinc/54/51/37/388545137.db2.gz NUIKOGUAZGXLHQ-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](C(=O)N1CCNCC1(C)C)N(C)C ZINC000649273535 388484365 /nfs/dbraw/zinc/48/43/65/388484365.db2.gz QHCGJEIHCWIVDV-VIFPVBQESA-N 0 3 213.325 0.147 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000310677378 388488155 /nfs/dbraw/zinc/48/81/55/388488155.db2.gz QDHJPTGBYWBUJM-YNEHKIRRSA-N 0 3 247.342 0.677 20 0 BCADHN COC1(C(=O)N2CC[C@H]3CN(C)C[C@H]32)CC1 ZINC000648911790 388488620 /nfs/dbraw/zinc/48/86/20/388488620.db2.gz SGRKAYMSDGXOQO-VHSXEESVSA-N 0 3 224.304 0.328 20 0 BCADHN COC(=O)CNC(=O)[C@@H](C)N(C)CCC1CC1 ZINC000135303932 388490139 /nfs/dbraw/zinc/49/01/39/388490139.db2.gz MZMXNTNVXVSODY-SECBINFHSA-N 0 3 242.319 0.396 20 0 BCADHN CC(C)(C)OC(=O)NCCCNC1COC1 ZINC000135310591 388490468 /nfs/dbraw/zinc/49/04/68/388490468.db2.gz CUSAWALMLGECFG-UHFFFAOYSA-N 0 3 230.308 0.890 20 0 BCADHN C[C@H](F)CCN[C@@H]1CCCS(=O)(=O)C1 ZINC000340463479 388490647 /nfs/dbraw/zinc/49/06/47/388490647.db2.gz QQFDBQJOVVGBTH-DTWKUNHWSA-N 0 3 223.313 0.901 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)C(C)(C)N)C1 ZINC000261552638 135192209 /nfs/dbraw/zinc/19/22/09/135192209.db2.gz RQAAIYHDFBEFQO-SECBINFHSA-N 0 3 214.309 0.609 20 0 BCADHN CO[C@H](CN[C@H](C)CS(C)(=O)=O)C1CC1 ZINC000340494760 388492130 /nfs/dbraw/zinc/49/21/30/388492130.db2.gz YOQRXCUTVOXTAQ-PSASIEDQSA-N 0 3 235.349 0.434 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)C1 ZINC000517375384 388548750 /nfs/dbraw/zinc/54/87/50/388548750.db2.gz VUGDRJCHFDKBNV-QWRGUYRKSA-N 0 3 238.331 0.956 20 0 BCADHN COCCN(CCN(C)C)C(=O)C(C)(C)CO ZINC000547868379 388493895 /nfs/dbraw/zinc/49/38/95/388493895.db2.gz QGKIGDVICZHABK-UHFFFAOYSA-N 0 3 246.351 0.042 20 0 BCADHN CC[C@H]1CN(CCCC(=O)OC)C[C@@H]1O ZINC000341005459 388494335 /nfs/dbraw/zinc/49/43/35/388494335.db2.gz FIIBNWCKOJROCU-UWVGGRQHSA-N 0 3 215.293 0.642 20 0 BCADHN CN(C(=O)C(C)(C)CO)C1CCN(C)CC1 ZINC000547927665 388495798 /nfs/dbraw/zinc/49/57/98/388495798.db2.gz ABJBJMKQCINXNY-UHFFFAOYSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@H](C(=O)NC[C@H](C)COC)N(C)C ZINC000178250528 388497079 /nfs/dbraw/zinc/49/70/79/388497079.db2.gz MAKWUUYENXIXPG-VHSXEESVSA-N 0 3 216.325 0.725 20 0 BCADHN CC[C@@H](C)NC(=O)CN(C)C[C@@H]1CCOC1 ZINC000178367931 388499950 /nfs/dbraw/zinc/49/99/50/388499950.db2.gz RXARZYSBVNWVNB-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CCN(C)CCNC(=O)Cc1cnn(CC)c1 ZINC000548040206 388505103 /nfs/dbraw/zinc/50/51/03/388505103.db2.gz ZADAZCNTFOWZBA-UHFFFAOYSA-N 0 3 238.335 0.513 20 0 BCADHN O=C(C[C@H]1CSCCN1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397844064 388505426 /nfs/dbraw/zinc/50/54/26/388505426.db2.gz WWBNFBQHCRYVHR-VLEAKVRGSA-N 0 3 240.372 0.996 20 0 BCADHN C[C@@H](CNS(=O)(=O)CC1CC1)N1CCCC1 ZINC000548041711 388505515 /nfs/dbraw/zinc/50/55/15/388505515.db2.gz XICZDNIHIDJAAB-JTQLQIEISA-N 0 3 246.376 0.800 20 0 BCADHN C[C@@H](O)[C@H](C)NCc1ccc2c(c1)C(=O)NCC2 ZINC000516922270 388508379 /nfs/dbraw/zinc/50/83/79/388508379.db2.gz RSTZLTXOZDBWOR-VHSXEESVSA-N 0 3 248.326 0.831 20 0 BCADHN C[C@@H](O)[C@@H](C)NCc1ccc2c(c1)C(=O)NCC2 ZINC000516922268 388508467 /nfs/dbraw/zinc/50/84/67/388508467.db2.gz RSTZLTXOZDBWOR-NXEZZACHSA-N 0 3 248.326 0.831 20 0 BCADHN CCNC(=O)NCCCN(C)CCOC ZINC000078708095 388509476 /nfs/dbraw/zinc/50/94/76/388509476.db2.gz UVJISTQWOIPPGD-UHFFFAOYSA-N 0 3 217.313 0.274 20 0 BCADHN c1cn2c(n1)[C@H](NC[C@@H]1CCOC1)CC2 ZINC000345340276 388511466 /nfs/dbraw/zinc/51/14/66/388511466.db2.gz BVWARMVDAKNYDV-VHSXEESVSA-N 0 3 207.277 0.954 20 0 BCADHN Cc1ncc2c(n1)CCN(CCC(=O)N(C)C)C2 ZINC000516729968 388514352 /nfs/dbraw/zinc/51/43/52/388514352.db2.gz UUXMASUNLYOCSN-UHFFFAOYSA-N 0 3 248.330 0.621 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H](C)CCC1CC1 ZINC000398146788 388516814 /nfs/dbraw/zinc/51/68/14/388516814.db2.gz DLDZZRYOBNNKHK-SCZZXKLOSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@@H](CO)CC1 ZINC000378835428 388517716 /nfs/dbraw/zinc/51/77/16/388517716.db2.gz MBFNQYSWJBSPAT-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN CN(C)S(=O)(=O)CCN(C)C(C)(C)C ZINC000516840247 388520221 /nfs/dbraw/zinc/52/02/21/388520221.db2.gz HFMTXRFZWJZBNP-UHFFFAOYSA-N 0 3 222.354 0.608 20 0 BCADHN C[C@@H]1OCCN(C(=O)C[C@H]2CNCCO2)[C@H]1C ZINC000347696315 388523072 /nfs/dbraw/zinc/52/30/72/388523072.db2.gz PPSBPHOAHAFOJK-DCAQKATOSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@@H](CNC(=O)c1cccnn1)N1CCCC1 ZINC000528427928 388523332 /nfs/dbraw/zinc/52/33/32/388523332.db2.gz AVFSKNYALPFOPW-JTQLQIEISA-N 0 3 234.303 0.691 20 0 BCADHN O=C1CCCN1CCCN1C[C@H](O)C2(CC2)C1 ZINC000548298510 388526480 /nfs/dbraw/zinc/52/64/80/388526480.db2.gz LXZZILQMWORNAO-NSHDSACASA-N 0 3 238.331 0.456 20 0 BCADHN C[C@@H]1CN([C@H]2CCCN(C)C2=O)CC[C@@H]1O ZINC000548302584 388526792 /nfs/dbraw/zinc/52/67/92/388526792.db2.gz KSCCRCWKKUQNNM-VWYCJHECSA-N 0 3 226.320 0.310 20 0 BCADHN COC[C@H](C)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000348159614 388526781 /nfs/dbraw/zinc/52/67/81/388526781.db2.gz KHNGCSBRJRVFNT-XHNCKOQMSA-N 0 3 221.322 0.044 20 0 BCADHN CSC1(CN[C@@H]2CS(=O)(=O)C[C@H]2C)CC1 ZINC000348209907 388527305 /nfs/dbraw/zinc/52/73/05/388527305.db2.gz KOQYFLRGLVWXFD-RKDXNWHRSA-N 0 3 249.401 0.905 20 0 BCADHN C[C@@H](CN[C@@H]1CSC1(C)C)S(C)(=O)=O ZINC000516966644 388528274 /nfs/dbraw/zinc/52/82/74/388528274.db2.gz XOLIRAFVTGDAKB-JGVFFNPUSA-N 0 3 237.390 0.903 20 0 BCADHN C[C@H](CN[C@@H]1CSC1(C)C)S(C)(=O)=O ZINC000516966643 388528682 /nfs/dbraw/zinc/52/86/82/388528682.db2.gz XOLIRAFVTGDAKB-HTQZYQBOSA-N 0 3 237.390 0.903 20 0 BCADHN Cc1cccc(CN2C[C@@H](CO)[C@H](CO)C2)n1 ZINC000528600255 388550155 /nfs/dbraw/zinc/55/01/55/388550155.db2.gz ZFGHYLWDWSPADF-RYUDHWBXSA-N 0 3 236.315 0.423 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@@]12CCOC2 ZINC000516988283 388531028 /nfs/dbraw/zinc/53/10/28/388531028.db2.gz OVQMJZJPKQGVJX-HOSYDEDBSA-N 0 3 226.320 0.479 20 0 BCADHN CCOC(=O)COCCN1CCOC[C@@H](C)C1 ZINC000351709846 388532270 /nfs/dbraw/zinc/53/22/70/388532270.db2.gz LPISYCYJLNSSJN-NSHDSACASA-N 0 3 245.319 0.534 20 0 BCADHN CC[C@@H](O)CN1CCC[C@@]12CCNC2=O ZINC000517038601 388534491 /nfs/dbraw/zinc/53/44/91/388534491.db2.gz HZEJPKJAPAYCRO-KOLCDFICSA-N 0 3 212.293 0.112 20 0 BCADHN CC1(C)CN(C[C@@H](O)CC2(O)CCC2)C[C@@H]1O ZINC000528485538 388534514 /nfs/dbraw/zinc/53/45/14/388534514.db2.gz RSQVONIDHUCIGP-QWRGUYRKSA-N 0 3 243.347 0.355 20 0 BCADHN CCOC(=O)CCN1CCC(NC(N)=O)CC1 ZINC000079466647 388534752 /nfs/dbraw/zinc/53/47/52/388534752.db2.gz XQSVNBMJMXYVSO-UHFFFAOYSA-N 0 3 243.307 0.072 20 0 BCADHN CC[C@@H](O)CN(C)[C@H]1CCC(=O)N(C)C1 ZINC000517038487 388534755 /nfs/dbraw/zinc/53/47/55/388534755.db2.gz DETIHVPWKPHBEI-VHSXEESVSA-N 0 3 214.309 0.310 20 0 BCADHN Cc1cnccc1CN(CCO)C[C@@H](C)O ZINC000528506952 388536321 /nfs/dbraw/zinc/53/63/21/388536321.db2.gz UWBBWBROIVPSQJ-LLVKDONJSA-N 0 3 224.304 0.565 20 0 BCADHN CCOC[C@H](O)CN1CC[C@@H](O)[C@H](C)C1 ZINC000253215963 388586124 /nfs/dbraw/zinc/58/61/24/388586124.db2.gz CSANPKVWCXVMHM-GMTAPVOTSA-N 0 3 217.309 0.087 20 0 BCADHN CN(C)CCNc1cc(Cl)nc(N)n1 ZINC000082190526 388586156 /nfs/dbraw/zinc/58/61/56/388586156.db2.gz DBZZXGJUFOQXTR-UHFFFAOYSA-N 0 3 215.688 0.686 20 0 BCADHN CCN(C)C(=O)CCN(C)[C@@H](C)C[S@](C)=O ZINC000185403105 388587032 /nfs/dbraw/zinc/58/70/32/388587032.db2.gz CLTIYXZIJZOXPZ-QFYYESIMSA-N 0 3 248.392 0.554 20 0 BCADHN C[C@H]1CC[N@H+](CCCOC([O-])=NC(N)=O)[C@H]1C ZINC000245545446 388588463 /nfs/dbraw/zinc/58/84/63/388588463.db2.gz VIFVYXKUVIRNPN-IUCAKERBSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@H]1CC[N@@H+](CCCOC([O-])=NC(N)=O)[C@H]1C ZINC000245545446 388588466 /nfs/dbraw/zinc/58/84/66/388588466.db2.gz VIFVYXKUVIRNPN-IUCAKERBSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@H]1CC[N@H+](CCCOC(=O)N=C(N)[O-])[C@H]1C ZINC000245545446 388588469 /nfs/dbraw/zinc/58/84/69/388588469.db2.gz VIFVYXKUVIRNPN-IUCAKERBSA-N 0 3 243.307 0.912 20 0 BCADHN C[C@H]1CC[N@@H+](CCCOC(=O)N=C(N)[O-])[C@H]1C ZINC000245545446 388588471 /nfs/dbraw/zinc/58/84/71/388588471.db2.gz VIFVYXKUVIRNPN-IUCAKERBSA-N 0 3 243.307 0.912 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@]12C[C@H]1COC2(C)C ZINC000529792883 388589632 /nfs/dbraw/zinc/58/96/32/388589632.db2.gz HGJJTGYOXMDMIQ-TVQRCGJNSA-N 0 3 249.314 0.944 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H](C)C1CC1 ZINC000183966799 256842528 /nfs/dbraw/zinc/84/25/28/256842528.db2.gz CYOFRMAQOBSRBQ-JTQLQIEISA-N 0 3 228.336 0.463 20 0 BCADHN CCO[C@@]1(C)C[C@H]1NC(=O)C(C)S(C)(=O)=O ZINC000529850970 388591487 /nfs/dbraw/zinc/59/14/87/388591487.db2.gz DKGOJBOAKUBDLF-MRTMQBJTSA-N 0 3 249.332 0.103 20 0 BCADHN CC[C@@H](N)C(=O)NCCN1Cc2ccccc2C1 ZINC000649306494 388591544 /nfs/dbraw/zinc/59/15/44/388591544.db2.gz VHUCCRLJNAGMSX-CYBMUJFWSA-N 0 3 247.342 0.856 20 0 BCADHN CC[C@@H](O)CN1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000549830128 388592535 /nfs/dbraw/zinc/59/25/35/388592535.db2.gz PLCBUHNFDSPSAF-FRRDWIJNSA-N 0 3 242.363 0.552 20 0 BCADHN NC1(C(=O)Nc2ccc[nH]c2=O)CCC1 ZINC000649314079 388601453 /nfs/dbraw/zinc/60/14/53/388601453.db2.gz JWVMYYSHJKJLLA-UHFFFAOYSA-N 0 3 207.233 0.607 20 0 BCADHN C[C@@H](O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530028397 388606077 /nfs/dbraw/zinc/60/60/77/388606077.db2.gz PHDKSQMRXNHNJF-KOLCDFICSA-N 0 3 226.320 0.500 20 0 BCADHN CC(C)(O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530027990 388606325 /nfs/dbraw/zinc/60/63/25/388606325.db2.gz NKHUOHNQQRKXHL-NSHDSACASA-N 0 3 240.347 0.890 20 0 BCADHN CC[C@@H](C(=O)NCC1COC1)N(C)C ZINC000530116603 388611062 /nfs/dbraw/zinc/61/10/62/388611062.db2.gz HMRFLTFQHWMISJ-VIFPVBQESA-N 0 3 200.282 0.089 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1O ZINC000245986026 388613314 /nfs/dbraw/zinc/61/33/14/388613314.db2.gz JZULLRILAIAQSR-NXEZZACHSA-N 0 3 214.309 0.356 20 0 BCADHN OC[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1CO ZINC000528603001 388551208 /nfs/dbraw/zinc/55/12/08/388551208.db2.gz JUEZNSJOLQUXPQ-RYUDHWBXSA-N 0 3 239.290 0.858 20 0 BCADHN CCN(CCNC(=O)C1CC(=O)C1)C1CC1 ZINC000136904827 388552174 /nfs/dbraw/zinc/55/21/74/388552174.db2.gz JLNNWAGGMNJGOF-UHFFFAOYSA-N 0 3 224.304 0.566 20 0 BCADHN CCC(CC)(CO)C(=O)N(C)CCN(C)C ZINC000517583707 388554159 /nfs/dbraw/zinc/55/41/59/388554159.db2.gz GWSNASAOZFJTJW-UHFFFAOYSA-N 0 3 230.352 0.805 20 0 BCADHN CCn1ccc(C(=O)N(C)CCN(C)C)n1 ZINC000517569051 388554278 /nfs/dbraw/zinc/55/42/78/388554278.db2.gz HCZKVZMOLCNVIR-UHFFFAOYSA-N 0 3 224.308 0.537 20 0 BCADHN C[C@H](Cc1c[nH]cn1)C(=O)N1CC(N(C)C)C1 ZINC000517583156 388554421 /nfs/dbraw/zinc/55/44/21/388554421.db2.gz AXGHMNCOTVBTQC-SECBINFHSA-N 0 3 236.319 0.361 20 0 BCADHN C[C@H](Cc1cnc[nH]1)C(=O)N1CC(N(C)C)C1 ZINC000517583156 388554424 /nfs/dbraw/zinc/55/44/24/388554424.db2.gz AXGHMNCOTVBTQC-SECBINFHSA-N 0 3 236.319 0.361 20 0 BCADHN OC[C@@H](O)CNCc1cccc(-n2cccn2)c1 ZINC000548752295 388556265 /nfs/dbraw/zinc/55/62/65/388556265.db2.gz IXRFAQHMPLJVNB-ZDUSSCGKSA-N 0 3 247.298 0.315 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)C(C)(C)N ZINC000528663714 388556393 /nfs/dbraw/zinc/55/63/93/388556393.db2.gz UILKODSTEQIBRS-MAUMQABQSA-N 0 3 214.309 0.652 20 0 BCADHN C[C@@H]1CC[NH2+]C[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000517722112 388557272 /nfs/dbraw/zinc/55/72/72/388557272.db2.gz MVGNNLWHQUBPAX-VXNVDRBHSA-N 0 3 232.291 0.136 20 0 BCADHN O=C(CN1CCC(CCCO)CC1)N1CCC1 ZINC000360090166 388558282 /nfs/dbraw/zinc/55/82/82/388558282.db2.gz VGEGSJWQCQASCL-UHFFFAOYSA-N 0 3 240.347 0.703 20 0 BCADHN CC1(C)CN(CCOCCO)CCCO1 ZINC000361123960 388559319 /nfs/dbraw/zinc/55/93/19/388559319.db2.gz HTAOUOJPOYBVTG-UHFFFAOYSA-N 0 3 217.309 0.496 20 0 BCADHN CC(C)(O)CN1CCC(F)(F)[C@H](CO)C1 ZINC000361404344 388560260 /nfs/dbraw/zinc/56/02/60/388560260.db2.gz RXPPABWWYOMPOE-QMMMGPOBSA-N 0 3 223.263 0.707 20 0 BCADHN CCC(C)(C)CC(=O)N1CCN(C)C[C@@H]1CN ZINC000646832037 388562395 /nfs/dbraw/zinc/56/23/95/388562395.db2.gz ZZXFPOQUGXTBMD-NSHDSACASA-N 0 3 241.379 0.914 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)NC1CC1 ZINC000528751572 388565753 /nfs/dbraw/zinc/56/57/53/388565753.db2.gz ITIDVRKNZXHUMP-APOZVJGGSA-N 0 3 226.320 0.667 20 0 BCADHN CN(C)[C@@H](CNC(=O)CN)c1ccsc1 ZINC000261538571 388567847 /nfs/dbraw/zinc/56/78/47/388567847.db2.gz YPJPPOVMHATQGH-VIFPVBQESA-N 0 3 227.333 0.426 20 0 BCADHN CC(C)(CN[C@@H]1CCCc2n[nH]cc21)C(N)=O ZINC000368616162 388569142 /nfs/dbraw/zinc/56/91/42/388569142.db2.gz SAAWBOZCXHFAHQ-SECBINFHSA-N 0 3 236.319 0.888 20 0 BCADHN CC[C@@H](SC)C(=O)NCCN(CC)CCO ZINC000183941589 388571971 /nfs/dbraw/zinc/57/19/71/388571971.db2.gz RXEUDHHZXYOBSR-SNVBAGLBSA-N 0 3 248.392 0.558 20 0 BCADHN C[C@@H](O)CCN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528781229 388572701 /nfs/dbraw/zinc/57/27/01/388572701.db2.gz AUUDZOUBRZLSBF-OZWUEAAUSA-N 0 3 231.361 0.743 20 0 BCADHN C[C@H](O)CCN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528781227 388572883 /nfs/dbraw/zinc/57/28/83/388572883.db2.gz AUUDZOUBRZLSBF-BQVMBELUSA-N 0 3 231.361 0.743 20 0 BCADHN CCN(CCO)CCNC(=O)C1CCC1 ZINC000183963870 388573281 /nfs/dbraw/zinc/57/32/81/388573281.db2.gz LFGQIWFVDAYTPQ-UHFFFAOYSA-N 0 3 214.309 0.217 20 0 BCADHN CCN(CCO)CCNC(=O)CC1CCC1 ZINC000183967712 388573311 /nfs/dbraw/zinc/57/33/11/388573311.db2.gz WAWSGKYWSISAMC-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H]1CC=CCC1 ZINC000183982903 388573355 /nfs/dbraw/zinc/57/33/55/388573355.db2.gz IFSMKGZWEAVHEM-GFCCVEGCSA-N 0 3 240.347 0.773 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cccnn2)CN1C1CC1 ZINC000528810198 388575036 /nfs/dbraw/zinc/57/50/36/388575036.db2.gz ROBJHBCURMIFRL-UWVGGRQHSA-N 0 3 246.314 0.832 20 0 BCADHN C[C@@H](NCC[C@H]1CCNC1=O)c1ccn(C)n1 ZINC000517584888 256829635 /nfs/dbraw/zinc/82/96/35/256829635.db2.gz YNFKZDFLNSQMGJ-ZJUUUORDSA-N 0 3 236.319 0.597 20 0 BCADHN CCN(CC)CC(=O)N(C)C[C@H](C)C(=O)NC ZINC000081440655 388576556 /nfs/dbraw/zinc/57/65/56/388576556.db2.gz HVOQTSFYHOMZCU-JTQLQIEISA-N 0 3 243.351 0.169 20 0 BCADHN COC[C@@H](C)CN1C[C@@H]2COC[C@H](C1)O2 ZINC000549425496 388580618 /nfs/dbraw/zinc/58/06/18/388580618.db2.gz QBQZYZBDHRORGI-GARJFASQSA-N 0 3 215.293 0.369 20 0 BCADHN O=C(Nc1c[nH]ccc1=O)[C@@H]1CCCCN1 ZINC000649301205 388583455 /nfs/dbraw/zinc/58/34/55/388583455.db2.gz LOOHYCOPIHAWNL-QMMMGPOBSA-N 0 3 221.260 0.456 20 0 BCADHN C[C@@H](O)CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000245513752 388585717 /nfs/dbraw/zinc/58/57/17/388585717.db2.gz DNLIPGDIJZOMBC-LMLFDSFASA-N 0 3 228.336 0.745 20 0 BCADHN C[C@H](C1CC1)N(C)CCS(=O)(=O)N(C)C ZINC000552081130 388667247 /nfs/dbraw/zinc/66/72/47/388667247.db2.gz FUEVRUJWWRZLJY-SECBINFHSA-N 0 3 234.365 0.608 20 0 BCADHN C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)CO)CCN1C ZINC000521950348 388671351 /nfs/dbraw/zinc/67/13/51/388671351.db2.gz QPYLPYCKXHCKLV-GHMZBOCLSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H]1CCN(CC(=O)NCCC(=O)OC)C1 ZINC000125421095 388672553 /nfs/dbraw/zinc/67/25/53/388672553.db2.gz RVNYPAMTOKYQGN-JTQLQIEISA-N 0 3 242.319 0.398 20 0 BCADHN CCC1CCN([C@@H]2CC(=O)N(C)C2=O)CC1 ZINC000522056640 388677020 /nfs/dbraw/zinc/67/70/20/388677020.db2.gz BNMBVRDISJFOSR-SNVBAGLBSA-N 0 3 224.304 0.866 20 0 BCADHN CCNC(=O)NC(=O)CN1CC[C@@H](CC)C1 ZINC000125826460 388677725 /nfs/dbraw/zinc/67/77/25/388677725.db2.gz JIRCVXNPWPJROG-SECBINFHSA-N 0 3 227.308 0.564 20 0 BCADHN COC[C@H](NCC(=O)NC(C)(C)C)C1CC1 ZINC000125845699 388679526 /nfs/dbraw/zinc/67/95/26/388679526.db2.gz VPWSWKGKGMCVHZ-JTQLQIEISA-N 0 3 228.336 0.916 20 0 BCADHN CCC(CC)[C@@H](O)CNC(=O)[C@@H](N)CC ZINC000225460412 388679632 /nfs/dbraw/zinc/67/96/32/388679632.db2.gz JMLPWRXLIORQBC-UWVGGRQHSA-N 0 3 216.325 0.637 20 0 BCADHN C[C@@H]1CN(C)CCN1CCCN1CCCC1=O ZINC000522096536 388686522 /nfs/dbraw/zinc/68/65/22/388686522.db2.gz ILXYZHCNMVDSHC-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@@H](COC)C1 ZINC000225441764 388679744 /nfs/dbraw/zinc/67/97/44/388679744.db2.gz BZGTUPCOUUZEGY-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN CCN(C)C(=O)CCN(C)[C@H](C)C[S@](C)=O ZINC000125933426 388682621 /nfs/dbraw/zinc/68/26/21/388682621.db2.gz CLTIYXZIJZOXPZ-QLJPJBMISA-N 0 3 248.392 0.554 20 0 BCADHN O=C(CNC1CC1)NCCOC1CCCC1 ZINC000082627814 388618761 /nfs/dbraw/zinc/61/87/61/388618761.db2.gz MGXIRXCIENZAAR-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN CN1CCC[C@H]1CNC(=O)CCc1cncnc1 ZINC000551098996 388621103 /nfs/dbraw/zinc/62/11/03/388621103.db2.gz YYIGXCSFDLMLLU-LBPRGKRZSA-N 0 3 248.330 0.620 20 0 BCADHN C[C@H](CO)N(C)C(=O)CN1CC[C@H](C)C1 ZINC000521641299 388621948 /nfs/dbraw/zinc/62/19/48/388621948.db2.gz IWRKGFFAVVFEMZ-VHSXEESVSA-N 0 3 214.309 0.167 20 0 BCADHN c1[nH]nc2cc(CNC[C@@H]3COCCN3)ccc12 ZINC000530182232 388623261 /nfs/dbraw/zinc/62/32/61/388623261.db2.gz SEHPGDPVGHDTMP-GFCCVEGCSA-N 0 3 246.314 0.641 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2nncs2)CCN1C ZINC000530183807 388623917 /nfs/dbraw/zinc/62/39/17/388623917.db2.gz DCAQRWLIXWPPRS-SFYZADRCSA-N 0 3 240.332 0.751 20 0 BCADHN CCOCCOCC(=O)NC[C@H]1CCCN1C ZINC000139131860 388626828 /nfs/dbraw/zinc/62/68/28/388626828.db2.gz XMBWLXGGTBDOSK-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN CO[C@H]1CN(CCCNC(C)=O)CC[C@@H]1C ZINC000189280640 388629028 /nfs/dbraw/zinc/62/90/28/388629028.db2.gz MNUSXIFSAHZYFY-JQWIXIFHSA-N 0 3 228.336 0.869 20 0 BCADHN CCOCCNC(=O)CN1CC[C@@H](C)[C@H]1C ZINC000246289448 388629479 /nfs/dbraw/zinc/62/94/79/388629479.db2.gz ADOGDQYGIFCWDQ-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](NC[C@H]1COCCN1)c1ccoc1 ZINC000530217844 388630664 /nfs/dbraw/zinc/63/06/64/388630664.db2.gz BFUNXEVFXNKSEJ-ONGXEEELSA-N 0 3 210.277 0.919 20 0 BCADHN CN1CCC[C@H](CNC(=O)N2CCC2)C1 ZINC000551656184 388635723 /nfs/dbraw/zinc/63/57/23/388635723.db2.gz JQIKFFQZPKLPRC-SNVBAGLBSA-N 0 3 211.309 0.744 20 0 BCADHN CC[C@@H](NC[C@@H]1COCCN1)c1nccn1C ZINC000530227819 388635850 /nfs/dbraw/zinc/63/58/50/388635850.db2.gz WALIYGDXCNYTEN-GHMZBOCLSA-N 0 3 238.335 0.449 20 0 BCADHN CC[C@@H](NC[C@H]1COCCN1)c1nccn1C ZINC000530227822 388635967 /nfs/dbraw/zinc/63/59/67/388635967.db2.gz WALIYGDXCNYTEN-WDEREUQCSA-N 0 3 238.335 0.449 20 0 BCADHN COC[C@H](O)CN1C[C@H](C)OC2(CCC2)C1 ZINC000521869547 388637388 /nfs/dbraw/zinc/63/73/88/388637388.db2.gz FJSALVVNYQIWJT-WDEREUQCSA-N 0 3 229.320 0.637 20 0 BCADHN CC[C@]1(C)C[C@H]1C(=O)NC[C@@](C)(O)CN(C)C ZINC000246468581 388638293 /nfs/dbraw/zinc/63/82/93/388638293.db2.gz FBUVMBBAWNPBAK-CYZMBNFOSA-N 0 3 242.363 0.851 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](O)C1CCCCC1 ZINC000521899528 388640761 /nfs/dbraw/zinc/64/07/61/388640761.db2.gz ZYGZHRGOMRDIKL-GXSJLCMTSA-N 0 3 228.336 0.652 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCOC1(C)C ZINC000328374675 388641864 /nfs/dbraw/zinc/64/18/64/388641864.db2.gz JYOZVURITUBNID-VHSXEESVSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H](N[C@H](C)C1CCOCC1)c1nnnn1C ZINC000189861135 388644395 /nfs/dbraw/zinc/64/43/95/388644395.db2.gz ALWCDELUMSSYRV-RKDXNWHRSA-N 0 3 239.323 0.676 20 0 BCADHN C[C@@H](N[C@@H](C)c1nnnn1C)C1CCOCC1 ZINC000189861118 388644465 /nfs/dbraw/zinc/64/44/65/388644465.db2.gz ALWCDELUMSSYRV-BDAKNGLRSA-N 0 3 239.323 0.676 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@H](O)[C@H](C)C1 ZINC000190047030 388646383 /nfs/dbraw/zinc/64/63/83/388646383.db2.gz BJGKHQKKPOIHDY-LDYMZIIASA-N 0 3 209.293 0.921 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N[C@H]1CCOC1 ZINC000246638750 388647915 /nfs/dbraw/zinc/64/79/15/388647915.db2.gz JLWNNFHXGNOQHQ-UWVGGRQHSA-N 0 3 227.308 0.169 20 0 BCADHN O=C(CNC1CC1)Nc1ccc(F)cn1 ZINC000083853147 388648288 /nfs/dbraw/zinc/64/82/88/388648288.db2.gz XFWMQGYVRLEEJM-UHFFFAOYSA-N 0 3 209.224 0.911 20 0 BCADHN CNC(=O)CC(=O)Nc1ccccc1CN(C)C ZINC000551960804 388649092 /nfs/dbraw/zinc/64/90/92/388649092.db2.gz SFZZJDIKTWFBBF-UHFFFAOYSA-N 0 3 249.314 0.823 20 0 BCADHN COC(=O)[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC000251875395 388650379 /nfs/dbraw/zinc/65/03/79/388650379.db2.gz UJKUZBKNCQFLPW-MWLCHTKSSA-N 0 3 237.303 0.661 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN(C[C@H]2C[C@H]2C)C1 ZINC000530359265 388652212 /nfs/dbraw/zinc/65/22/12/388652212.db2.gz OKQVJFPLEZQDHW-OPRDCNLKSA-N 0 3 232.349 0.266 20 0 BCADHN C[C@H](CNC(=O)COC(F)F)N1CCCC1 ZINC000551997779 388655334 /nfs/dbraw/zinc/65/53/34/388655334.db2.gz NBMMHMIHRRWUTE-MRVPVSSYSA-N 0 3 236.262 0.826 20 0 BCADHN CO[C@H](C)CN(C)[C@H](C)C[S@](C)=O ZINC000248604103 388685583 /nfs/dbraw/zinc/68/55/83/388685583.db2.gz DYQKQIZQQZLWIV-KKFJDGPESA-N 0 3 207.339 0.720 20 0 BCADHN CO[C@H](C)CNC(=O)C1(N)CCCCC1 ZINC000223713832 388656689 /nfs/dbraw/zinc/65/66/89/388656689.db2.gz XBLBUERDOHQLTH-SECBINFHSA-N 0 3 214.309 0.799 20 0 BCADHN CO[C@@H](C)CNC(=O)C1(N)CCCCC1 ZINC000223713783 388657173 /nfs/dbraw/zinc/65/71/73/388657173.db2.gz XBLBUERDOHQLTH-VIFPVBQESA-N 0 3 214.309 0.799 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCOC2)CN1C1CC1 ZINC000247019975 388657497 /nfs/dbraw/zinc/65/74/97/388657497.db2.gz SLTCNIIXQBEJMU-VWYCJHECSA-N 0 3 238.331 0.764 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC000247107705 388659172 /nfs/dbraw/zinc/65/91/72/388659172.db2.gz KKIMUXPLYSSQPC-NEPJUHHUSA-N 0 3 240.347 0.871 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC000249840365 388734675 /nfs/dbraw/zinc/73/46/75/388734675.db2.gz YVUTYMWHCWSPKD-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN Cc1c(C(=O)NC[C@@H]2CCCN2C)cnn1C ZINC000194715645 388740628 /nfs/dbraw/zinc/74/06/28/388740628.db2.gz RPWWOGIEHLYNGX-JTQLQIEISA-N 0 3 236.319 0.553 20 0 BCADHN CSCCC(=O)NC[C@@H]1CCCN1C ZINC000194710761 388741353 /nfs/dbraw/zinc/74/13/53/388741353.db2.gz IFGZLZOQSXMKQA-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN CN1CCN(C(=O)CN2C3CCC2CC3)CC1 ZINC000538967021 388743632 /nfs/dbraw/zinc/74/36/32/388743632.db2.gz SRIOIVOWCJFPQZ-UHFFFAOYSA-N 0 3 237.347 0.387 20 0 BCADHN CO[C@H](CN)C(=O)N1CCCC[C@@H]1C ZINC000227341560 388747648 /nfs/dbraw/zinc/74/76/48/388747648.db2.gz WIKNMRZXXRYXOO-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN CCO[C@H](C)C(=O)N(C)C1CCN(C)CC1 ZINC000067952723 388748070 /nfs/dbraw/zinc/74/80/70/388748070.db2.gz IEXZBLURVMDEFU-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN CCN(CC)CC(=O)NCCCCO ZINC000194984039 388748191 /nfs/dbraw/zinc/74/81/91/388748191.db2.gz KLYQONMGSNDEBK-UHFFFAOYSA-N 0 3 202.298 0.217 20 0 BCADHN CC[C@H]1CCCCN1C(=O)[C@@H](CN)OC ZINC000227347930 388748668 /nfs/dbraw/zinc/74/86/68/388748668.db2.gz CAPWYQCXNBEXGQ-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1cccs1 ZINC000227349519 388748725 /nfs/dbraw/zinc/74/87/25/388748725.db2.gz CLHMUXCLEVHPDW-SECBINFHSA-N 0 3 228.317 0.680 20 0 BCADHN CC[C@H]1CCCN(C(=O)[C@@H](CN)OC)C1 ZINC000227350798 388749420 /nfs/dbraw/zinc/74/94/20/388749420.db2.gz SOVRPHRHVUYVQZ-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000227389855 388749951 /nfs/dbraw/zinc/74/99/51/388749951.db2.gz OZUWXTLIGSAKAG-HRDYMLBCSA-N 0 3 200.282 0.075 20 0 BCADHN CO[C@H](CN)C(=O)NC1(C)CCCC1 ZINC000227377269 388750075 /nfs/dbraw/zinc/75/00/75/388750075.db2.gz PNNPQDASVSBEHI-MRVPVSSYSA-N 0 3 200.282 0.409 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cccc(O)c1 ZINC000227373095 388750480 /nfs/dbraw/zinc/75/04/80/388750480.db2.gz MJAYBBGPDQRHER-SECBINFHSA-N 0 3 210.233 0.304 20 0 BCADHN CCCC1(CNC(=O)[C@H](CN)OC)CC1 ZINC000227417518 388751358 /nfs/dbraw/zinc/75/13/58/388751358.db2.gz ZEMFJPKZLUTZDO-VIFPVBQESA-N 0 3 214.309 0.657 20 0 BCADHN CO[C@H](CN)C(=O)NCC1(C)CCC1 ZINC000227417639 388751407 /nfs/dbraw/zinc/75/14/07/388751407.db2.gz YERDDFWVLNGXAV-MRVPVSSYSA-N 0 3 200.282 0.267 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc(F)nc1 ZINC000227416709 388751484 /nfs/dbraw/zinc/75/14/84/388751484.db2.gz NWRXBHPGKJQOGG-SSDOTTSWSA-N 0 3 213.212 0.133 20 0 BCADHN COC1(C(=O)NC[C@H](C)N(C)C)CC1 ZINC000648730456 388751614 /nfs/dbraw/zinc/75/16/14/388751614.db2.gz BNLPBSMFADQAKX-QMMMGPOBSA-N 0 3 200.282 0.232 20 0 BCADHN CC1(C)CCN(CC(=O)N2CCC[C@@H]2CO)C1 ZINC000553221901 388754254 /nfs/dbraw/zinc/75/42/54/388754254.db2.gz VBHGFFIFRMCNMF-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H](NC[C@@H]1CCCN1C)c1ccc(=O)[nH]n1 ZINC000552252075 388686974 /nfs/dbraw/zinc/68/69/74/388686974.db2.gz AKFRRTJXSHGOPR-UWVGGRQHSA-N 0 3 236.319 0.927 20 0 BCADHN C[C@@H]1COCC[C@@H]1C(=O)NC[C@H]1CCCN1C ZINC000248740470 388692322 /nfs/dbraw/zinc/69/23/22/388692322.db2.gz DDIPYAHOKJHMPT-UTUOFQBUSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)N1CC[C@@H](CO)C1 ZINC000225978886 388695593 /nfs/dbraw/zinc/69/55/93/388695593.db2.gz ANIJKLRNUJRZOJ-GMTAPVOTSA-N 0 3 228.336 0.604 20 0 BCADHN CN[C@@H](C)C(=O)NCCCn1nc(C)cc1C ZINC000126500342 388697151 /nfs/dbraw/zinc/69/71/51/388697151.db2.gz XRTZOLLWGYDGTO-NSHDSACASA-N 0 3 238.335 0.614 20 0 BCADHN CO[C@@H]1CN([C@@H]2CCN(C)C2=O)CC[C@H]1C ZINC000251855841 388755873 /nfs/dbraw/zinc/75/58/73/388755873.db2.gz NVKCWEIVLMEAAK-GMTAPVOTSA-N 0 3 226.320 0.574 20 0 BCADHN COC[C@@H](CNCc1c[nH]nc1C)OC ZINC000227706620 388755946 /nfs/dbraw/zinc/75/59/46/388755946.db2.gz YHHIOGLMSIRDGS-SNVBAGLBSA-N 0 3 213.281 0.469 20 0 BCADHN CCOCCN(C[C@H](C)O)[C@H](C)CO ZINC000248983954 388702448 /nfs/dbraw/zinc/70/24/48/388702448.db2.gz VXTLALPYBOKELX-ZJUUUORDSA-N 0 3 205.298 0.087 20 0 BCADHN CC(C)OCCN(C[C@@H](C)O)[C@H](C)CO ZINC000248972095 388702685 /nfs/dbraw/zinc/70/26/85/388702685.db2.gz SXZMXUKWCKPLPN-GHMZBOCLSA-N 0 3 219.325 0.475 20 0 BCADHN COC[C@@H](O)CN1CCN(C)[C@H](C)[C@@H]1C ZINC000538627158 388704122 /nfs/dbraw/zinc/70/41/22/388704122.db2.gz IUOGZGHSLYCHOK-VWYCJHECSA-N 0 3 216.325 0.018 20 0 BCADHN CCOCC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000552420397 388706204 /nfs/dbraw/zinc/70/62/04/388706204.db2.gz BMJCDEWGHHCKMG-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN CC[C@H](C)N1CCN(CCO)[C@@H](C)C1 ZINC000249203390 388710320 /nfs/dbraw/zinc/71/03/20/388710320.db2.gz APOWUSHNKUASRI-QWRGUYRKSA-N 0 3 200.326 0.783 20 0 BCADHN COC[C@@H](C)CN1CCC[C@H]1C(=O)N(C)C ZINC000249178340 388711664 /nfs/dbraw/zinc/71/16/64/388711664.db2.gz GNIYRLHALIOMHP-QWRGUYRKSA-N 0 3 228.336 0.822 20 0 BCADHN COC1(C(=O)NCCN2CCCCC2)CC1 ZINC000648735190 388756364 /nfs/dbraw/zinc/75/63/64/388756364.db2.gz DVFMEYABJOSLFN-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN COC[C@H](O)CN1C[C@H](C)S[C@@H](C)C1 ZINC000127136052 388714528 /nfs/dbraw/zinc/71/45/28/388714528.db2.gz LXJONJUVIRGRRW-LPEHRKFASA-N 0 3 219.350 0.820 20 0 BCADHN CCC[C@H](C)[N@@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000249292546 388715886 /nfs/dbraw/zinc/71/58/86/388715886.db2.gz QARKKHUTBZSNOX-CABZTGNLSA-N 0 3 239.319 0.849 20 0 BCADHN CCC[C@H](C)[N@H+]1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000249292546 388715888 /nfs/dbraw/zinc/71/58/88/388715888.db2.gz QARKKHUTBZSNOX-CABZTGNLSA-N 0 3 239.319 0.849 20 0 BCADHN CCOC[C@H](O)CNC1(C(N)=O)CCCCC1 ZINC000127145470 388716422 /nfs/dbraw/zinc/71/64/22/388716422.db2.gz OPAWKBUYGWKLNX-SNVBAGLBSA-N 0 3 244.335 0.162 20 0 BCADHN CCS[C@H]1CCC[C@@H]1NC(=O)CNC ZINC000226382405 388716656 /nfs/dbraw/zinc/71/66/56/388716656.db2.gz FNIVSJJXVNGIGT-IUCAKERBSA-N 0 3 216.350 0.996 20 0 BCADHN CCOCCN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249339974 388716652 /nfs/dbraw/zinc/71/66/52/388716652.db2.gz ITXPRVBSTZBMMN-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN Cc1c(CNC(=O)CNC(C)C)cnn1C ZINC000226414621 388717946 /nfs/dbraw/zinc/71/79/46/388717946.db2.gz LASOCAVQKNOSCG-UHFFFAOYSA-N 0 3 224.308 0.343 20 0 BCADHN COCCNC(=O)C1CCN(C2CC2)CC1 ZINC000193885830 388718401 /nfs/dbraw/zinc/71/84/01/388718401.db2.gz IPFXOIUNLCHUQH-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CO[C@H](C)CN1CCN(C[C@H](C)O)C[C@H]1C ZINC000249460448 388722822 /nfs/dbraw/zinc/72/28/22/388722822.db2.gz ZEFAKIYBIULORB-GRYCIOLGSA-N 0 3 230.352 0.408 20 0 BCADHN CC(C)OCCN1CCN(C[C@H](C)O)C[C@H]1C ZINC000249518097 388725816 /nfs/dbraw/zinc/72/58/16/388725816.db2.gz SRUPSVJNPJVGHU-OLZOCXBDSA-N 0 3 244.379 0.798 20 0 BCADHN O=C(NCCN1CCCC1)[C@@H]1CCOC1 ZINC000066942382 388726047 /nfs/dbraw/zinc/72/60/47/388726047.db2.gz QDFMTMXELMZFKO-SNVBAGLBSA-N 0 3 212.293 0.235 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCCCO2)CCN1CCO ZINC000249531036 388726669 /nfs/dbraw/zinc/72/66/69/388726669.db2.gz AYQCBABKNUOXLT-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN CCOC(=O)N[C@H]1CCCN(C[C@H](C)O)C1 ZINC000249531225 388727536 /nfs/dbraw/zinc/72/75/36/388727536.db2.gz JLKVGZSCDCDLRX-UWVGGRQHSA-N 0 3 230.308 0.578 20 0 BCADHN CC[C@]1(CO)CCCN([C@H]2CCNC2=O)C1 ZINC000249558091 388727610 /nfs/dbraw/zinc/72/76/10/388727610.db2.gz KPYJROOERWHFMX-JQWIXIFHSA-N 0 3 226.320 0.359 20 0 BCADHN COC[C@@H](CNCc1cccn1C)OC ZINC000227708582 388756944 /nfs/dbraw/zinc/75/69/44/388756944.db2.gz MXSDGCOZZPLDAB-LLVKDONJSA-N 0 3 212.293 0.776 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1C[C@@H](O)C1(C)C ZINC000226729939 388727770 /nfs/dbraw/zinc/72/77/70/388727770.db2.gz BMUOCOSEYBRABD-LPEHRKFASA-N 0 3 249.376 0.559 20 0 BCADHN CC[C@]1(CO)CCCN([C@H](C)C(=O)N(C)C)C1 ZINC000249581636 388728723 /nfs/dbraw/zinc/72/87/23/388728723.db2.gz RHNMFSCUPJJDDS-YPMHNXCESA-N 0 3 242.363 0.948 20 0 BCADHN C[C@H]1CCN(CC2CCOCC2)[C@@H](C(N)=O)C1 ZINC000249575648 388728828 /nfs/dbraw/zinc/72/88/28/388728828.db2.gz PKZICVBLBSXZMG-CMPLNLGQSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@H]1COCCN1CCN1CCC[C@](C)(O)C1 ZINC000249608632 388731387 /nfs/dbraw/zinc/73/13/87/388731387.db2.gz RTKUEQRDEUONIW-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN CC[C@H]1CCCN([C@H]2CC(=O)N(C)C2=O)C1 ZINC000249711044 388732172 /nfs/dbraw/zinc/73/21/72/388732172.db2.gz VUVKENUPKNLNNQ-UWVGGRQHSA-N 0 3 224.304 0.866 20 0 BCADHN CCN(CC(=O)NCC(=O)OC)[C@H](C)C(C)C ZINC000194407671 388732217 /nfs/dbraw/zinc/73/22/17/388732217.db2.gz UXIYAGDDOKOJNL-SNVBAGLBSA-N 0 3 244.335 0.642 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCC[C@H](C)CC1 ZINC000249823243 388733524 /nfs/dbraw/zinc/73/35/24/388733524.db2.gz HVVSUBSDJHVEHI-DTWKUNHWSA-N 0 3 227.308 0.692 20 0 BCADHN COC[C@H](C)CN1CCO[C@@H](COC)C1 ZINC000249771424 388733551 /nfs/dbraw/zinc/73/35/51/388733551.db2.gz JOHXTUXZKUJPAZ-GHMZBOCLSA-N 0 3 217.309 0.616 20 0 BCADHN CN(CC(=O)N(C)C1CC1)[C@@H]1CCCC[C@H]1O ZINC000252925885 388793129 /nfs/dbraw/zinc/79/31/29/388793129.db2.gz NGIVBXYECMJZSP-VXGBXAGGSA-N 0 3 240.347 0.843 20 0 BCADHN Cc1noc(C(=O)NCCN2CC[C@H](C)C2)n1 ZINC000649084362 388793442 /nfs/dbraw/zinc/79/34/42/388793442.db2.gz PIQLHRXAZDEFDV-QMMMGPOBSA-N 0 3 238.291 0.450 20 0 BCADHN O[C@@]1(CNCc2ccncc2)CCOC1 ZINC000229637503 388796194 /nfs/dbraw/zinc/79/61/94/388796194.db2.gz VZMLRFMLQVNOER-LLVKDONJSA-N 0 3 208.261 0.323 20 0 BCADHN CCN(C)C(=O)CN[C@@H](C)[C@H](C)OC ZINC000229586514 388797228 /nfs/dbraw/zinc/79/72/28/388797228.db2.gz HJFQFFCHVZYQGL-IUCAKERBSA-N 0 3 202.298 0.478 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000229702809 388798821 /nfs/dbraw/zinc/79/88/21/388798821.db2.gz FOPOQJOGHLCMKF-VXNVDRBHSA-N 0 3 210.281 0.570 20 0 BCADHN CCN(C)CCNC(=O)NCc1cc[nH]n1 ZINC000523151539 388804651 /nfs/dbraw/zinc/80/46/51/388804651.db2.gz MCQKGPKHWCKFPE-UHFFFAOYSA-N 0 3 225.296 0.161 20 0 BCADHN C[C@H]1C[C@@H](NCc2nncn2C)CN1C1CC1 ZINC000128978338 388808988 /nfs/dbraw/zinc/80/89/88/388808988.db2.gz DRGGABJBIHVSKP-VHSXEESVSA-N 0 3 235.335 0.530 20 0 BCADHN CN1CCC[C@H](N2CC[C@](C)(O)C2)C1=O ZINC000554433949 388814273 /nfs/dbraw/zinc/81/42/73/388814273.db2.gz UWQCQBCRTDHOBI-ONGXEEELSA-N 0 3 212.293 0.064 20 0 BCADHN C[C@H]1CCN(CC(=O)NCc2ccnn2C)C1 ZINC000553271078 388758811 /nfs/dbraw/zinc/75/88/11/388758811.db2.gz CNYWOLFXCMJXKX-JTQLQIEISA-N 0 3 236.319 0.378 20 0 BCADHN C[C@@H](CN1CCOCC1)N1CCSCC1 ZINC000091508724 388763771 /nfs/dbraw/zinc/76/37/71/388763771.db2.gz PTQUGUIVBHDVMH-NSHDSACASA-N 0 3 230.377 0.756 20 0 BCADHN CO[C@H](C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000068195842 388765765 /nfs/dbraw/zinc/76/57/65/388765765.db2.gz WTUHNLOPYNCWEH-RKDXNWHRSA-N 0 3 214.309 0.620 20 0 BCADHN CO[C@@H](C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000068195844 388767003 /nfs/dbraw/zinc/76/70/03/388767003.db2.gz WTUHNLOPYNCWEH-BDAKNGLRSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@@H]1[C@H](C(=O)Nc2nc[n-]n2)CC[N@@H+]1C ZINC000648740077 388769594 /nfs/dbraw/zinc/76/95/94/388769594.db2.gz LAGRKJYEWDXQTP-RNFRBKRXSA-N 0 3 209.253 0.083 20 0 BCADHN C[C@@H]1[C@H](C(=O)Nc2nc[n-]n2)CC[N@H+]1C ZINC000648740077 388769598 /nfs/dbraw/zinc/76/95/98/388769598.db2.gz LAGRKJYEWDXQTP-RNFRBKRXSA-N 0 3 209.253 0.083 20 0 BCADHN CCNS(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000522905703 388778689 /nfs/dbraw/zinc/77/86/89/388778689.db2.gz OOADVHMBHYWISZ-JTQLQIEISA-N 0 3 249.380 0.114 20 0 BCADHN COC[C@H]1CCCN([C@H]2CCCN(C)C2=O)C1 ZINC000539811903 388779937 /nfs/dbraw/zinc/77/99/37/388779937.db2.gz YELZWIUVNZDBKY-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](C(N)=O)N(C)[C@@H]1CCCC[C@H]1O ZINC000252740677 388780063 /nfs/dbraw/zinc/78/00/63/388780063.db2.gz OOEKDAHLBZPGNB-IWSPIJDZSA-N 0 3 200.282 0.096 20 0 BCADHN CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000564224179 388784841 /nfs/dbraw/zinc/78/48/41/388784841.db2.gz IHMCUGVKBSDBLD-UWVGGRQHSA-N 0 3 226.320 0.310 20 0 BCADHN CC(C)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649078308 388785412 /nfs/dbraw/zinc/78/54/12/388785412.db2.gz FXMQEYGRXCSHII-JTQLQIEISA-N 0 3 241.335 0.221 20 0 BCADHN Cc1cc(=NC(=O)[C@]2(F)CCNC2)cc[nH]1 ZINC000370767530 177706497 /nfs/dbraw/zinc/70/64/97/177706497.db2.gz UZGWXEVZHTVXIG-NSHDSACASA-N 0 3 223.251 0.452 20 0 BCADHN CN1CCC[C@@H](N2CC[C@@](C)(O)C2)C1=O ZINC000554433948 388814885 /nfs/dbraw/zinc/81/48/85/388814885.db2.gz UWQCQBCRTDHOBI-MWLCHTKSSA-N 0 3 212.293 0.064 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)Cn2ccnc2)CN1C1CC1 ZINC000555228186 388844062 /nfs/dbraw/zinc/84/40/62/388844062.db2.gz UYGDGDXKFIIGHQ-WDEREUQCSA-N 0 3 248.330 0.625 20 0 BCADHN CCN(CCNC(=O)C(C)(C)O)C1CC1 ZINC000230106337 388816622 /nfs/dbraw/zinc/81/66/22/388816622.db2.gz TWRQPZVRBLUFRA-UHFFFAOYSA-N 0 3 214.309 0.358 20 0 BCADHN CC(C)C(C)(C)NC(=O)C(C)S(C)(=O)=O ZINC000554506436 388817121 /nfs/dbraw/zinc/81/71/21/388817121.db2.gz JZINVHZDIPPSAL-MRVPVSSYSA-N 0 3 235.349 0.970 20 0 BCADHN CC[C@@H](C)C(=O)NCCOCCN(C)C ZINC000540848574 388819714 /nfs/dbraw/zinc/81/97/14/388819714.db2.gz PRPHGDIYLJHART-SNVBAGLBSA-N 0 3 216.325 0.727 20 0 BCADHN C[C@H](NC(=O)[C@H]1CCN(C)C1)c1ncon1 ZINC000540890836 388822141 /nfs/dbraw/zinc/82/21/41/388822141.db2.gz ATZCLUWFVXUFHY-YUMQZZPRSA-N 0 3 224.264 0.199 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCN(C)C1)c1ncon1 ZINC000540890833 388822375 /nfs/dbraw/zinc/82/23/75/388822375.db2.gz ATZCLUWFVXUFHY-HTQZYQBOSA-N 0 3 224.264 0.199 20 0 BCADHN CO[C@@H]1CCCN(C(=O)C2(N)CCC2)C1 ZINC000230246887 388822895 /nfs/dbraw/zinc/82/28/95/388822895.db2.gz OIKPQVNDZDLVTF-SECBINFHSA-N 0 3 212.293 0.505 20 0 BCADHN CCN(CC(C)(C)O)[C@H]1CCCN(C)C1=O ZINC000540906159 388824770 /nfs/dbraw/zinc/82/47/70/388824770.db2.gz JQXHTAIPJLKRME-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN COC[C@@H]1CCN([C@H]2CCCN(C)C2=O)C1 ZINC000540908119 388824851 /nfs/dbraw/zinc/82/48/51/388824851.db2.gz UZABIZUDHVWCFQ-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN CC[C@H](C(=O)NCc1nnc(C)s1)N(C)C ZINC000540957200 388829895 /nfs/dbraw/zinc/82/98/95/388829895.db2.gz MSXGOFXMGTVMQI-MRVPVSSYSA-N 0 3 242.348 0.803 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)C1CCOCC1 ZINC000225523193 388831497 /nfs/dbraw/zinc/83/14/97/388831497.db2.gz ZVJBLEGBHWUVLQ-YUMQZZPRSA-N 0 3 200.282 0.265 20 0 BCADHN [O-]c1cccnc1CN1CCC[C@H](O)C1 ZINC000554866650 388834639 /nfs/dbraw/zinc/83/46/39/388834639.db2.gz BXLUQGJJKSSPOY-VIFPVBQESA-N 0 3 208.261 0.744 20 0 BCADHN [O-]c1cccnc1C[N@H+]1CCC[C@H](O)C1 ZINC000554866650 388834644 /nfs/dbraw/zinc/83/46/44/388834644.db2.gz BXLUQGJJKSSPOY-VIFPVBQESA-N 0 3 208.261 0.744 20 0 BCADHN [O-]c1cccnc1C[N@@H+]1CCC[C@H](O)C1 ZINC000554866650 388834645 /nfs/dbraw/zinc/83/46/45/388834645.db2.gz BXLUQGJJKSSPOY-VIFPVBQESA-N 0 3 208.261 0.744 20 0 BCADHN CCNC(=O)c1ccc(CNCCC(N)=O)cc1 ZINC000554863718 388834771 /nfs/dbraw/zinc/83/47/71/388834771.db2.gz WEAZQWNLHSDEIJ-UHFFFAOYSA-N 0 3 249.314 0.401 20 0 BCADHN COC[C@@H](O)CN[C@H](CO)c1ccccc1C ZINC000541054146 388837426 /nfs/dbraw/zinc/83/74/26/388837426.db2.gz LUZQWIXEPKFPSS-WCQYABFASA-N 0 3 239.315 0.625 20 0 BCADHN CC[C@@H](C)NC(=O)CCNC(=O)C1(N)CCC1 ZINC000148002390 388865020 /nfs/dbraw/zinc/86/50/20/388865020.db2.gz ULVKFSIZYXRTCF-SECBINFHSA-N 0 3 241.335 0.289 20 0 BCADHN OCCCCCN1CCN2CCOC[C@@H]2C1 ZINC000541697917 388865199 /nfs/dbraw/zinc/86/51/99/388865199.db2.gz VDNLJKITPJRJAK-LBPRGKRZSA-N 0 3 228.336 0.165 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCN(C)C(C)(C)C1 ZINC000556083592 388866659 /nfs/dbraw/zinc/86/66/59/388866659.db2.gz ODONYFFRJPVNSK-JTQLQIEISA-N 0 3 227.352 0.489 20 0 BCADHN CCCN(C)CC(=O)NCc1nnc(C)s1 ZINC000541885117 388871638 /nfs/dbraw/zinc/87/16/38/388871638.db2.gz NFJCLZBLJQZQTM-UHFFFAOYSA-N 0 3 242.348 0.805 20 0 BCADHN CCSCCN1CC[C@@H](NC(C)=O)C1 ZINC000231931907 388845410 /nfs/dbraw/zinc/84/54/10/388845410.db2.gz XDKJSVIPCUXQIA-SNVBAGLBSA-N 0 3 216.350 0.950 20 0 BCADHN CCN(CCNC(=O)C1(OC)CC1)C1CC1 ZINC000648767512 388849737 /nfs/dbraw/zinc/84/97/37/388849737.db2.gz TZRHVFXZRJJBFM-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)NC(=O)NCCN1CCC[C@](C)(O)C1 ZINC000564653713 388883911 /nfs/dbraw/zinc/88/39/11/388883911.db2.gz PGLOAWCTHLBNGI-LBPRGKRZSA-N 0 3 243.351 0.541 20 0 BCADHN CC[C@@H](OC)C(=O)NCCN1CC[C@@H](C)C1 ZINC000564699797 388885416 /nfs/dbraw/zinc/88/54/16/388885416.db2.gz HWPQFSXHVVMNHT-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CCCCOCC(=O)NC[C@@](C)(O)CN(C)C ZINC000152883374 388890354 /nfs/dbraw/zinc/89/03/54/388890354.db2.gz JEDMHRMNUILILH-GFCCVEGCSA-N 0 3 246.351 0.232 20 0 BCADHN CCN(C)CCNC(=O)NC[C@H](C)COC ZINC000194836660 388894000 /nfs/dbraw/zinc/89/40/00/388894000.db2.gz UQELNAUSAUREPS-JTQLQIEISA-N 0 3 231.340 0.520 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@H](O)C(F)(F)F ZINC000564880880 388895499 /nfs/dbraw/zinc/89/54/99/388895499.db2.gz GWOWXLNSNCOAKK-BDAKNGLRSA-N 0 3 240.269 0.936 20 0 BCADHN C[C@H](O)CN[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000564443232 388875980 /nfs/dbraw/zinc/87/59/80/388875980.db2.gz KIKPXQZFZCMZRO-DCAQKATOSA-N 0 3 228.336 0.746 20 0 BCADHN CC[C@@H](NC(=O)[C@H](N)CCSC)C(=O)OC ZINC000152705952 388877643 /nfs/dbraw/zinc/87/76/43/388877643.db2.gz KRWJNHSOSFPPQT-HTQZYQBOSA-N 0 3 248.348 0.135 20 0 BCADHN CNC(=O)C[C@@H](NC(=O)[C@@H](C)N)c1ccccc1 ZINC000564993669 388906300 /nfs/dbraw/zinc/90/63/00/388906300.db2.gz MCXPMWHQKYIKOX-MWLCHTKSSA-N 0 3 249.314 0.327 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)C2)C1 ZINC000565011517 388908594 /nfs/dbraw/zinc/90/85/94/388908594.db2.gz FIDLCCMWYMQBLQ-GHMZBOCLSA-N 0 3 238.331 0.814 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@@H]2CCC(=O)C2)C1 ZINC000565011522 388908817 /nfs/dbraw/zinc/90/88/17/388908817.db2.gz FIDLCCMWYMQBLQ-WDEREUQCSA-N 0 3 238.331 0.814 20 0 BCADHN CC[C@H](C)CN[C@]1(C(N)=O)CCOC1 ZINC000565166709 388919608 /nfs/dbraw/zinc/91/96/08/388919608.db2.gz SODVUWIKBVBTPE-WCBMZHEXSA-N 0 3 200.282 0.267 20 0 BCADHN CC[C@@H](C)CN[C@@]1(C(N)=O)CCOC1 ZINC000565166708 388920676 /nfs/dbraw/zinc/92/06/76/388920676.db2.gz SODVUWIKBVBTPE-SCZZXKLOSA-N 0 3 200.282 0.267 20 0 BCADHN O=C1NCC[C@]12CCCN2C[C@H]1C[C@@H](O)C1 ZINC000565173563 388921199 /nfs/dbraw/zinc/92/11/99/388921199.db2.gz QLVVBSXKKZDFGA-JFGNBEQYSA-N 0 3 224.304 0.112 20 0 BCADHN CCN(C(=O)CN1CCC(C)(C)C1)C1COC1 ZINC000565211343 388925872 /nfs/dbraw/zinc/92/58/72/388925872.db2.gz AKVBMHGQYQBYAU-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN O=C(Cn1ccnc1)N[C@@H]1CCN(C2CC2)C1 ZINC000565748707 388967452 /nfs/dbraw/zinc/96/74/52/388967452.db2.gz AUCRTNZVINCSKX-SNVBAGLBSA-N 0 3 234.303 0.236 20 0 BCADHN C[C@@H](O)CCCN1CCC[C@]12CCNC2=O ZINC000565313249 388937948 /nfs/dbraw/zinc/93/79/48/388937948.db2.gz OXPHHCOQGOMTGL-ZYHUDNBSSA-N 0 3 226.320 0.502 20 0 BCADHN C[C@H]1CN(C(=O)c2cccc(N)n2)[C@@H](C)CN1 ZINC000565361048 388939404 /nfs/dbraw/zinc/93/94/04/388939404.db2.gz DXOYXFQZAMNSJM-IUCAKERBSA-N 0 3 234.303 0.486 20 0 BCADHN C[C@H](N(C)C(=O)C(=O)N(C)CCN)C(C)(C)C ZINC000565898735 388977728 /nfs/dbraw/zinc/97/77/28/388977728.db2.gz UCSMTZSWOGHJBY-VIFPVBQESA-N 0 3 243.351 0.297 20 0 BCADHN COCCn1cc(CNCC(C)(C)O)cn1 ZINC000266234591 388994825 /nfs/dbraw/zinc/99/48/25/388994825.db2.gz VGTFRPHVYIUDMQ-UHFFFAOYSA-N 0 3 227.308 0.390 20 0 BCADHN COCCn1cc(CN[C@H](C)COC)cn1 ZINC000266247171 388995403 /nfs/dbraw/zinc/99/54/03/388995403.db2.gz ZCEHIWMVLPASRF-SNVBAGLBSA-N 0 3 227.308 0.654 20 0 BCADHN Cc1ccc([C@H](O)CN[C@@H](C)CC(N)=O)o1 ZINC000267194363 388999397 /nfs/dbraw/zinc/99/93/97/388999397.db2.gz DTNMXLOGPQMYIJ-IONNQARKSA-N 0 3 226.276 0.475 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cccc(CO)c1 ZINC000267190005 388999515 /nfs/dbraw/zinc/99/95/15/388999515.db2.gz DDFVUQXUYOJWCG-VIFPVBQESA-N 0 3 222.288 0.532 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@H](N)C(C)C ZINC000269275816 389008710 /nfs/dbraw/zinc/00/87/10/389008710.db2.gz WXNZWQVVUAWAOR-SECBINFHSA-N 0 3 210.281 0.318 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@@H](N)CC(C)C ZINC000269258865 389008723 /nfs/dbraw/zinc/00/87/23/389008723.db2.gz LHQDFPDNVQKJLV-VIFPVBQESA-N 0 3 224.308 0.708 20 0 BCADHN CN1CC=C(CNc2nccn3cnnc23)CC1 ZINC000271754699 389023220 /nfs/dbraw/zinc/02/32/20/389023220.db2.gz CNNLNFVWLUNVCF-UHFFFAOYSA-N 0 3 244.302 0.798 20 0 BCADHN Cn1ccnc(NCC2=CCN(C)CC2)c1=O ZINC000271744271 389023486 /nfs/dbraw/zinc/02/34/86/389023486.db2.gz APOIWIQUVFIZMM-UHFFFAOYSA-N 0 3 234.303 0.454 20 0 BCADHN CCN(C)C(=O)CCN[C@H](C)c1cn[nH]c1 ZINC000275244168 389053201 /nfs/dbraw/zinc/05/32/01/389053201.db2.gz XNEIYPQZWUOSAW-SECBINFHSA-N 0 3 224.308 0.929 20 0 BCADHN CSC[C@@H](O)CN[C@H](C)c1cnn(C)c1 ZINC000275252133 389054422 /nfs/dbraw/zinc/05/44/22/389054422.db2.gz YSBHKNUSJJNYLD-SCZZXKLOSA-N 0 3 229.349 0.795 20 0 BCADHN COC(=O)[C@H]1[C@@H](CNC[C@H](C)O)C1(F)F ZINC000894359260 583436692 /nfs/dbraw/zinc/43/66/92/583436692.db2.gz NKUWCPIUOZDWHC-RRKCRQDMSA-N 0 3 223.219 0.011 20 0 BCADHN COC[C@H](O)CN1CCOC(C)(C)[C@@H]1C ZINC000348138812 136038933 /nfs/dbraw/zinc/03/89/33/136038933.db2.gz KELGWJKRJSQCJY-VHSXEESVSA-N 0 3 217.309 0.493 20 0 BCADHN Cc1cc(N2CCC[C@@H](O)C2)nc(N)n1 ZINC000004967520 132317025 /nfs/dbraw/zinc/31/70/25/132317025.db2.gz GYRJVQMYFWROIQ-MRVPVSSYSA-N 0 3 208.265 0.328 20 0 BCADHN CCN(C)CCNC(=O)CCCCC(=O)OC ZINC000338385998 169693977 /nfs/dbraw/zinc/69/39/77/169693977.db2.gz SZHWGTBJYHGHID-UHFFFAOYSA-N 0 3 244.335 0.788 20 0 BCADHN COCCCCN(C)C[C@@H]1CN(C)C(=O)O1 ZINC000497028044 533250962 /nfs/dbraw/zinc/25/09/62/533250962.db2.gz LSEHEOGCNZEGAG-SNVBAGLBSA-N 0 3 230.308 0.795 20 0 BCADHN COCCCN(C)CCNC(=O)NC1CC1 ZINC000174486888 533279906 /nfs/dbraw/zinc/27/99/06/533279906.db2.gz NZKFVBIYPHTXRC-UHFFFAOYSA-N 0 3 229.324 0.416 20 0 BCADHN CO[C@H]1C[C@@H](N(C)C(=O)/C=C\CN(C)C)C1 ZINC000492884044 533288528 /nfs/dbraw/zinc/28/85/28/533288528.db2.gz XUUQQESVFWWWMF-UORZZXJBSA-N 0 3 226.320 0.740 20 0 BCADHN C(CN1CCN2CCOC[C@@H]2C1)C1CC1 ZINC000336180437 533359460 /nfs/dbraw/zinc/35/94/60/533359460.db2.gz NOWJBIVHKIWRNP-LBPRGKRZSA-N 0 3 210.321 0.803 20 0 BCADHN CC[C@@](C)(CO)NCc1cn(C)nc1C ZINC000126017673 171170670 /nfs/dbraw/zinc/17/06/70/171170670.db2.gz QYAUHWUGARUETP-NSHDSACASA-N 0 3 211.309 0.979 20 0 BCADHN C[C@@H](NC[C@@H](O)COCC1CC1)c1cn[nH]c1 ZINC000494698764 533413676 /nfs/dbraw/zinc/41/36/76/533413676.db2.gz KVANFBOOLLOFGW-BXKDBHETSA-N 0 3 239.319 0.848 20 0 BCADHN CO[C@@H]1CN(CCc2cccnc2)C[C@H]1OC ZINC000487976809 533476463 /nfs/dbraw/zinc/47/64/63/533476463.db2.gz AMODWPCNPQRYOV-CHWSQXEVSA-N 0 3 236.315 0.970 20 0 BCADHN C[C@H](Cn1ccnc1)NC[C@H](O)C(F)(F)F ZINC000082680989 322825457 /nfs/dbraw/zinc/82/54/57/322825457.db2.gz IXDOAYOJSJQEFD-SFYZADRCSA-N 0 3 237.225 0.784 20 0 BCADHN Cc1cc(CNC(=O)/C=C\CN(C)C)n(C)n1 ZINC000492791585 533641509 /nfs/dbraw/zinc/64/15/09/533641509.db2.gz KPFSANGYBWXECY-WAYWQWQTSA-N 0 3 236.319 0.463 20 0 BCADHN O=C(CO)NCC1CCN(c2ccncc2)CC1 ZINC000271363243 132199165 /nfs/dbraw/zinc/19/91/65/132199165.db2.gz GQXXCSDOOCHLLC-UHFFFAOYSA-N 0 3 249.314 0.407 20 0 BCADHN CN1CCN(C(=O)[C@H]2CCN2)c2ccc(F)cc21 ZINC000336596985 132249324 /nfs/dbraw/zinc/24/93/24/132249324.db2.gz JITITKKMTCOGOL-SNVBAGLBSA-N 0 3 249.289 0.970 20 0 BCADHN COc1cccc(N2CCN(C(=O)CN)CC2)c1 ZINC000019844191 132250113 /nfs/dbraw/zinc/25/01/13/132250113.db2.gz LRBYMHQTOTZRFM-UHFFFAOYSA-N 0 3 249.314 0.303 20 0 BCADHN CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000025911172 132289659 /nfs/dbraw/zinc/28/96/59/132289659.db2.gz SIXOFVNELJSMRN-UHFFFAOYSA-N 0 3 247.342 0.945 20 0 BCADHN CC(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000261573100 132303961 /nfs/dbraw/zinc/30/39/61/132303961.db2.gz INNJIXMAOLGCEC-UHFFFAOYSA-N 0 3 220.276 0.450 20 0 BCADHN Cc1cc(N2C[C@@H](C)N[C@@H](C)C2)ncn1 ZINC000053712458 132363659 /nfs/dbraw/zinc/36/36/59/132363659.db2.gz QMYYIGVVHMDTQB-AOOOYVTPSA-N 0 3 206.293 0.972 20 0 BCADHN CC[C@H](N)C(=O)NCCC(=O)NC(C)(C)C ZINC000158304652 133501032 /nfs/dbraw/zinc/50/10/32/133501032.db2.gz GEURCZNYFHZMKR-QMMMGPOBSA-N 0 3 229.324 0.145 20 0 BCADHN CCNC(=O)CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000335435334 133845505 /nfs/dbraw/zinc/84/55/05/133845505.db2.gz SJEDHGNVUAQQJF-ZJUUUORDSA-N 0 3 212.293 0.233 20 0 BCADHN NC1(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CCC1 ZINC000335470038 133878301 /nfs/dbraw/zinc/87/83/01/133878301.db2.gz NVTPCERSRVZPDN-QWRGUYRKSA-N 0 3 238.331 0.942 20 0 BCADHN O=C(C[C@H]1CNCCO1)N[C@H]1C=CCCC1 ZINC000335534017 133884913 /nfs/dbraw/zinc/88/49/13/133884913.db2.gz RUYZMVAPGRWPIM-QWRGUYRKSA-N 0 3 224.304 0.590 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000350145835 133941509 /nfs/dbraw/zinc/94/15/09/133941509.db2.gz ISXHSALWZVBWBS-KOLCDFICSA-N 0 3 226.320 0.356 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000351889843 133992658 /nfs/dbraw/zinc/99/26/58/133992658.db2.gz CPJVDNHIQLLHBB-ZJUUUORDSA-N 0 3 214.309 0.167 20 0 BCADHN C[C@@H]1CN(CCc2ccnn2C)[C@H](C)CN1C ZINC000335926124 134008749 /nfs/dbraw/zinc/00/87/49/134008749.db2.gz VZBWTOSHCIZWNE-VXGBXAGGSA-N 0 3 236.363 0.987 20 0 BCADHN O=C1NCC[C@H]1N1CC[C@@H](CC2CC2)C1 ZINC000335930868 134010216 /nfs/dbraw/zinc/01/02/16/134010216.db2.gz IEVGMMBQFPLMRA-WDEREUQCSA-N 0 3 208.305 0.997 20 0 BCADHN CN(C(=O)c1cn(C)cn1)[C@H]1CCN(C2CC2)C1 ZINC000335931630 134011115 /nfs/dbraw/zinc/01/11/15/134011115.db2.gz OLHUHPBNPQWETI-NSHDSACASA-N 0 3 248.330 0.729 20 0 BCADHN CCOC(=O)C1(CNCc2cnn(C)c2)CC1 ZINC000351932055 134012048 /nfs/dbraw/zinc/01/20/48/134012048.db2.gz PGTXRHHHABSXMF-UHFFFAOYSA-N 0 3 237.303 0.853 20 0 BCADHN CC(C)CC(=O)N1CCO[C@H]2CCN(C)C[C@H]21 ZINC000335936665 134012554 /nfs/dbraw/zinc/01/25/54/134012554.db2.gz CNKCHDLIZFSOBK-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)OC(=O)CCN1C[C@H](O)[C@@H](C)C1 ZINC000351952292 134016412 /nfs/dbraw/zinc/01/64/12/134016412.db2.gz SPRJUMFXOTYJFL-UWVGGRQHSA-N 0 3 215.293 0.641 20 0 BCADHN CC(C)[C@@H](O)C(=O)NC1CCN(C)CC1 ZINC000335942066 134017646 /nfs/dbraw/zinc/01/76/46/134017646.db2.gz NRRZBTMSTYBFMM-SNVBAGLBSA-N 0 3 214.309 0.214 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1 ZINC000335946765 134020780 /nfs/dbraw/zinc/02/07/80/134020780.db2.gz POSUMWPQPPBHMM-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN COC[C@H](O)CN1CCC(F)(F)[C@@H](C)C1 ZINC000351984384 134026275 /nfs/dbraw/zinc/02/62/75/134026275.db2.gz XNSSKAWFWZOUON-DTWKUNHWSA-N 0 3 223.263 0.971 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](C)C1 ZINC000335960983 134026939 /nfs/dbraw/zinc/02/69/39/134026939.db2.gz FSNMGMOIXYKVOX-RKDXNWHRSA-N 0 3 227.308 0.562 20 0 BCADHN CC[C@@H](OC)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000335966069 134028184 /nfs/dbraw/zinc/02/81/84/134028184.db2.gz SSYSGAGNZAXRJO-DGCLKSJQSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1C[C@@H](CN2CCNC(=O)CC2)CCO1 ZINC000335968515 134029095 /nfs/dbraw/zinc/02/90/95/134029095.db2.gz GDCXTCCLSNPXMZ-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN COC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC000351991910 134031203 /nfs/dbraw/zinc/03/12/03/134031203.db2.gz ANFSZFBOYKHVPU-LLVKDONJSA-N 0 3 228.336 0.822 20 0 BCADHN C[C@@H](F)CCN1CCO[C@H](CN(C)C)C1 ZINC000352007480 134035188 /nfs/dbraw/zinc/03/51/88/134035188.db2.gz XWLZHCRQUGBCBR-GHMZBOCLSA-N 0 3 218.316 0.997 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCCN(C)CC1 ZINC000335982040 134037969 /nfs/dbraw/zinc/03/79/69/134037969.db2.gz BWBOESHWXONPJR-NSHDSACASA-N 0 3 242.367 0.284 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@@H](C)[C@H](O)C1 ZINC000335997645 134042461 /nfs/dbraw/zinc/04/24/61/134042461.db2.gz FWOVZUQSKKHCCF-BXKDBHETSA-N 0 3 223.320 0.931 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@H](C)[C@@H](O)C1 ZINC000335997646 134042895 /nfs/dbraw/zinc/04/28/95/134042895.db2.gz FWOVZUQSKKHCCF-CABZTGNLSA-N 0 3 223.320 0.931 20 0 BCADHN CCN(C)C(=O)CCN(CCOC)C1CC1 ZINC000352033491 134044845 /nfs/dbraw/zinc/04/48/45/134044845.db2.gz UDZPPPFSPDKZBU-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CCN1C[C@H](C)N(CC(=O)N2CCC2)[C@@H](C)C1 ZINC000336001858 134047560 /nfs/dbraw/zinc/04/75/60/134047560.db2.gz BWOIFCPTUUTTKO-RYUDHWBXSA-N 0 3 239.363 0.633 20 0 BCADHN CCN1C[C@@H](C)N(CC(=O)N(C)C)[C@@H](C)C1 ZINC000336002312 134047596 /nfs/dbraw/zinc/04/75/96/134047596.db2.gz ORQXEWDHICSKCY-PHIMTYICSA-N 0 3 227.352 0.489 20 0 BCADHN CCN1C[C@@H](C)N(CC(=O)N2CCC2)[C@H](C)C1 ZINC000336001860 134047721 /nfs/dbraw/zinc/04/77/21/134047721.db2.gz BWOIFCPTUUTTKO-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@H]1CN(C(=O)C(N)C(F)(F)F)CCCO1 ZINC000336005313 134048867 /nfs/dbraw/zinc/04/88/67/134048867.db2.gz PDXBSBKNKRYZQY-NKWVEPMBSA-N 0 3 240.225 0.513 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)C ZINC000336023291 134056626 /nfs/dbraw/zinc/05/66/26/134056626.db2.gz WHNQYKMOXMJNJD-SCZZXKLOSA-N 0 3 211.309 0.740 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)Cc1ccon1 ZINC000336044096 134063339 /nfs/dbraw/zinc/06/33/39/134063339.db2.gz IFEOAOKQIARKDH-JTQLQIEISA-N 0 3 237.303 0.770 20 0 BCADHN CNC(=O)NC(=O)CN1C[C@@H](C)CC1(C)C ZINC000336058256 134067368 /nfs/dbraw/zinc/06/73/68/134067368.db2.gz MVBNALAPEHZCED-QMMMGPOBSA-N 0 3 227.308 0.562 20 0 BCADHN NC(=O)N1CCCN(CCCCF)CC1 ZINC000352117891 134074402 /nfs/dbraw/zinc/07/44/02/134074402.db2.gz NDQGKEHIEDVXDR-UHFFFAOYSA-N 0 3 217.288 0.823 20 0 BCADHN COC(C)(C)C(=O)NC[C@](C)(O)CCN(C)C ZINC000352126553 134074924 /nfs/dbraw/zinc/07/49/24/134074924.db2.gz VDGKQZNAZVWNHY-GFCCVEGCSA-N 0 3 246.351 0.230 20 0 BCADHN CC(C)[C@H]1CN([C@H]2CCNC2=O)CCN1C ZINC000336092443 134079067 /nfs/dbraw/zinc/07/90/67/134079067.db2.gz XACMTNIWBJMABJ-WDEREUQCSA-N 0 3 225.336 0.147 20 0 BCADHN O=C(C[C@H]1CCOC1)N[C@H]1CCN(C2CC2)C1 ZINC000352153832 134083546 /nfs/dbraw/zinc/08/35/46/134083546.db2.gz KBCMSVZLLFSAIG-MNOVXSKESA-N 0 3 238.331 0.766 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N(CC)C[C@H](C)O ZINC000352193728 134098401 /nfs/dbraw/zinc/09/84/01/134098401.db2.gz FJASKNOVGFZPAI-QWRGUYRKSA-N 0 3 230.352 0.946 20 0 BCADHN CCN(C[C@@H](C)O)[C@H]1CCCCNC1=O ZINC000352202897 134102222 /nfs/dbraw/zinc/10/22/22/134102222.db2.gz NJNZXUZTOVZBGH-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN COCCNC(=O)N1CCN(C)CC[C@H]1C ZINC000336152626 134104990 /nfs/dbraw/zinc/10/49/90/134104990.db2.gz IVMXMVCCCZMSHL-SNVBAGLBSA-N 0 3 229.324 0.368 20 0 BCADHN CCCN1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000336156595 134106199 /nfs/dbraw/zinc/10/61/99/134106199.db2.gz IVRHKYDRXWJTFY-NSHDSACASA-N 0 3 246.376 0.896 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1coc(CN)c1 ZINC000336156602 134106382 /nfs/dbraw/zinc/10/63/82/134106382.db2.gz JOLRRDKUKARMEZ-DTWKUNHWSA-N 0 3 237.303 0.561 20 0 BCADHN CC(C(=O)N[C@H]1CC1(C)C)S(C)(=O)=O ZINC000336157421 134106521 /nfs/dbraw/zinc/10/65/21/134106521.db2.gz UAFJXYLOSPRSIR-BQBZGAKWSA-N 0 3 219.306 0.334 20 0 BCADHN O=C1NC[C@H]2CN(CC3(O)CCCC3)CCN12 ZINC000336159210 134107058 /nfs/dbraw/zinc/10/70/58/134107058.db2.gz XIFGSZJQGKGAFV-JTQLQIEISA-N 0 3 239.319 0.001 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000352209182 134107678 /nfs/dbraw/zinc/10/76/78/134107678.db2.gz AESNFKGMEIKBEA-JTQLQIEISA-N 0 3 212.293 0.376 20 0 BCADHN CN(CC1CC1)C(=O)CN[C@H](CO)C(C)(C)C ZINC000193096630 134110107 /nfs/dbraw/zinc/11/01/07/134110107.db2.gz YJEWPPIZRROYJO-LLVKDONJSA-N 0 3 242.363 0.851 20 0 BCADHN CCN(C[C@H](C)O)[C@H]1CCN(C(C)C)C1=O ZINC000352232367 134113230 /nfs/dbraw/zinc/11/32/30/134113230.db2.gz UTNAOQXGSBRHPY-QWRGUYRKSA-N 0 3 228.336 0.698 20 0 BCADHN C[C@@H]1COCCN1C(=O)C1CCN(C)CC1 ZINC000336178368 134117482 /nfs/dbraw/zinc/11/74/82/134117482.db2.gz QVYIBFAOTPWLRT-SNVBAGLBSA-N 0 3 226.320 0.576 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1Cc1cccs1 ZINC000336180795 134119508 /nfs/dbraw/zinc/11/95/08/134119508.db2.gz JTYNKINXAJHJSY-DTWKUNHWSA-N 0 3 213.302 0.676 20 0 BCADHN CCN(C)CCNC(=O)[C@H](OC)C(C)C ZINC000352876875 134156604 /nfs/dbraw/zinc/15/66/04/134156604.db2.gz MVPOZJWWODXGIX-SNVBAGLBSA-N 0 3 216.325 0.725 20 0 BCADHN [NH3+][C@H](C[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000168226281 134160175 /nfs/dbraw/zinc/16/01/75/134160175.db2.gz SDZLKNMZMPQBBO-MRVPVSSYSA-N 0 3 246.357 0.764 20 0 BCADHN CC(C)OCCN(C)[C@@]1(CO)CCOC1 ZINC000359579773 134195832 /nfs/dbraw/zinc/19/58/32/134195832.db2.gz JVHPHAFNRHREAN-LLVKDONJSA-N 0 3 217.309 0.495 20 0 BCADHN CC(C)OCCC(=O)N(C)CCN(C)C ZINC000359582215 134195883 /nfs/dbraw/zinc/19/58/83/134195883.db2.gz DCUZDKPQFAHFLX-UHFFFAOYSA-N 0 3 216.325 0.822 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000170731007 134252880 /nfs/dbraw/zinc/25/28/80/134252880.db2.gz DIBOWJBEHDJOOF-NXEZZACHSA-N 0 3 241.335 0.228 20 0 BCADHN CNC(=O)[C@H]1CCCCN1CCCCCO ZINC000170929602 134255462 /nfs/dbraw/zinc/25/54/62/134255462.db2.gz QHXRPZGAGAVNLX-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN CCN(C)CCNC(=O)N[C@H]1CCCOC1 ZINC000171602156 134259772 /nfs/dbraw/zinc/25/97/72/134259772.db2.gz CBQFBSXVRNPJAU-JTQLQIEISA-N 0 3 229.324 0.416 20 0 BCADHN CCCN(CC(=O)N1CCOCC1)C1CC1 ZINC000171682958 134260059 /nfs/dbraw/zinc/26/00/59/134260059.db2.gz MNZVJYNOPQFTRJ-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN CN(C)C(=O)CN1C[C@H]2CCC[C@@H](C1)C2O ZINC000172045397 134264501 /nfs/dbraw/zinc/26/45/01/134264501.db2.gz DEGFEOIILQSUIG-DHHPTOIESA-N 0 3 226.320 0.167 20 0 BCADHN CC(C)OC(=O)CCN[C@@H](C(N)=O)C(C)(C)C ZINC000173345292 134274064 /nfs/dbraw/zinc/27/40/64/134274064.db2.gz ZWTQDHCPVDZMRZ-JTQLQIEISA-N 0 3 244.335 0.818 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCC2(CCCC2)C1 ZINC000173823736 134277817 /nfs/dbraw/zinc/27/78/17/134277817.db2.gz WVJFHZBVODFDFK-SECBINFHSA-N 0 3 239.319 0.836 20 0 BCADHN CCOCCN1CCC[C@@H]1CN1CCOCC1 ZINC000174021463 134280310 /nfs/dbraw/zinc/28/03/10/134280310.db2.gz XMRIJWDOAWAMBA-CYBMUJFWSA-N 0 3 242.363 0.820 20 0 BCADHN C[C@H](NCCOCCN(C)C)c1nccn1C ZINC000219310014 134281640 /nfs/dbraw/zinc/28/16/40/134281640.db2.gz CSUIMAQEFVSOCX-NSHDSACASA-N 0 3 240.351 0.649 20 0 BCADHN Cc1cnoc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000174664112 134282843 /nfs/dbraw/zinc/28/28/43/134282843.db2.gz RXCXFVTZFHQKJK-SNVBAGLBSA-N 0 3 235.287 0.903 20 0 BCADHN CN(C)C(=O)CC(=O)NCCN1CCCCC1 ZINC000174641665 134283026 /nfs/dbraw/zinc/28/30/26/134283026.db2.gz CTJLKCAKMFGGTK-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN CCNC(=O)CN1CC[C@@H](COCC)C1 ZINC000177039572 134294155 /nfs/dbraw/zinc/29/41/55/134294155.db2.gz INHCLYFQBDXPCG-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN C[C@@H]1CN(C[Si](C)(C)C)C[C@@H](C(N)=O)O1 ZINC000177266820 134296731 /nfs/dbraw/zinc/29/67/31/134296731.db2.gz JCPFQUQMJMFWEO-BDAKNGLRSA-N 0 3 230.384 0.438 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2ccnn2C)CN1C1CC1 ZINC000177094672 134297160 /nfs/dbraw/zinc/29/71/60/134297160.db2.gz QEXICPTVUOWEPJ-ZJUUUORDSA-N 0 3 248.330 0.775 20 0 BCADHN O=C(N[C@H]1CCc2n[nH]cc2C1)[C@@H]1CCCCN1 ZINC000178023392 134302776 /nfs/dbraw/zinc/30/27/76/134302776.db2.gz VBRQREUTGPEVTP-JQWIXIFHSA-N 0 3 248.330 0.525 20 0 BCADHN CC[C@H](C)CN(CC)CC(=O)NC(N)=O ZINC000177859113 134303359 /nfs/dbraw/zinc/30/33/59/134303359.db2.gz YPEVVGIOBAVOFG-QMMMGPOBSA-N 0 3 215.297 0.549 20 0 BCADHN CC(C)NC(=O)CCN(CC(N)=O)C(C)(C)C ZINC000177837535 134303622 /nfs/dbraw/zinc/30/36/22/134303622.db2.gz HEROVNBAHXOKDE-UHFFFAOYSA-N 0 3 243.351 0.487 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000178141041 134306556 /nfs/dbraw/zinc/30/65/56/134306556.db2.gz XIDXGBJKOKNUHP-JDUUOCRZSA-N 0 3 226.320 0.343 20 0 BCADHN CC[C@@H](C(=O)N1CCO[C@H](COC)C1)N(C)C ZINC000178490264 134307352 /nfs/dbraw/zinc/30/73/52/134307352.db2.gz DQMFXGZLVVYQMD-QWRGUYRKSA-N 0 3 244.335 0.200 20 0 BCADHN OCCN(CCN1CCOCC1)C1CCC1 ZINC000220502357 134309036 /nfs/dbraw/zinc/30/90/36/134309036.db2.gz OZAWWIJBDSQMLF-UHFFFAOYSA-N 0 3 228.336 0.165 20 0 BCADHN C[C@H](N)C(=O)N1CCCN(C2CC2)CC1 ZINC000178747472 134310795 /nfs/dbraw/zinc/31/07/95/134310795.db2.gz ZYWYIHQFVNHRIW-VIFPVBQESA-N 0 3 211.309 0.030 20 0 BCADHN COC1CC(NCC(=O)NC(C)C)C1 ZINC000220821858 134315997 /nfs/dbraw/zinc/31/59/97/134315997.db2.gz ZBFJTRHWRRIJBA-UHFFFAOYSA-N 0 3 200.282 0.278 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCCN(C2CC2)CC1 ZINC000178869022 134316084 /nfs/dbraw/zinc/31/60/84/134316084.db2.gz KJXZDVCWEYKVBO-LLVKDONJSA-N 0 3 239.363 0.633 20 0 BCADHN COC1CC(NCC(=O)NCC2CC2)C1 ZINC000221261349 134322721 /nfs/dbraw/zinc/32/27/21/134322721.db2.gz IDKTVMVZFCQFTN-UHFFFAOYSA-N 0 3 212.293 0.280 20 0 BCADHN COCCOCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000221987571 134327072 /nfs/dbraw/zinc/32/70/72/134327072.db2.gz CROIZOUNNSCKQM-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN COCCOCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000221987624 134327288 /nfs/dbraw/zinc/32/72/88/134327288.db2.gz CROIZOUNNSCKQM-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN CCN(C)CCNC(=O)NCC1(OC)CCC1 ZINC000181526387 134337339 /nfs/dbraw/zinc/33/73/39/134337339.db2.gz RKQGIFWYWYLSCG-UHFFFAOYSA-N 0 3 243.351 0.806 20 0 BCADHN CCCCCN(CCCO)CC(N)=O ZINC000183025170 134350064 /nfs/dbraw/zinc/35/00/64/134350064.db2.gz BHZCJYFDLNNDRP-UHFFFAOYSA-N 0 3 202.298 0.346 20 0 BCADHN COC(=O)CCN(C)[C@H]1CCCOC1 ZINC000225276430 134352092 /nfs/dbraw/zinc/35/20/92/134352092.db2.gz RXBLDVAKPRQIGM-VIFPVBQESA-N 0 3 201.266 0.660 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@@H](O)COC(C)C)C1 ZINC000225691371 134356529 /nfs/dbraw/zinc/35/65/29/134356529.db2.gz OMNOQBNKUXCBSN-GHMZBOCLSA-N 0 3 245.319 0.267 20 0 BCADHN COc1cccc(CNCCC[S@](C)=O)n1 ZINC000183864351 134356974 /nfs/dbraw/zinc/35/69/74/134356974.db2.gz CLMSAPQBTJESPE-INIZCTEOSA-N 0 3 242.344 0.948 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1CC[C@@H](CO)C1 ZINC000225971736 134358205 /nfs/dbraw/zinc/35/82/05/134358205.db2.gz JBHUHXJNRJWMGT-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H]1CS(=O)(=O)C[C@H]1N[C@H]1CCCSC1 ZINC000348210000 134363649 /nfs/dbraw/zinc/36/36/49/134363649.db2.gz LOQXUTHNJXJFAR-KXUCPTDWSA-N 0 3 249.401 0.905 20 0 BCADHN COCCCCN1CCO[C@@]2(CCOC2)C1 ZINC000185180225 134372265 /nfs/dbraw/zinc/37/22/65/134372265.db2.gz QGMHFFFYZSIWEM-LBPRGKRZSA-N 0 3 229.320 0.904 20 0 BCADHN COCCN(C)CCNC(=O)[C@H]1C[C@@H]1C(C)C ZINC000185269885 134376053 /nfs/dbraw/zinc/37/60/53/134376053.db2.gz MBHRPWFASJSRDB-NEPJUHHUSA-N 0 3 242.363 0.973 20 0 BCADHN COCC[C@@](C)(O)CNCc1cncnc1 ZINC000227216915 134376542 /nfs/dbraw/zinc/37/65/42/134376542.db2.gz BHRRFKUXUPBBKD-LLVKDONJSA-N 0 3 225.292 0.354 20 0 BCADHN COCC[C@](C)(O)CNCc1cncn1C ZINC000227217168 134376622 /nfs/dbraw/zinc/37/66/22/134376622.db2.gz USAQQNDCTIQOKS-NSHDSACASA-N 0 3 227.308 0.297 20 0 BCADHN CSCCN1CCCN(C(C)=O)CC1 ZINC000185491587 134380770 /nfs/dbraw/zinc/38/07/70/134380770.db2.gz CULRLSFPQGEIJW-UHFFFAOYSA-N 0 3 216.350 0.904 20 0 BCADHN CC(C)[C@@H]1C[C@H]1C(=O)NC[C@](C)(O)CN(C)C ZINC000185542207 134381460 /nfs/dbraw/zinc/38/14/60/134381460.db2.gz AERWOICRVNSVJN-LOWVWBTDSA-N 0 3 242.363 0.707 20 0 BCADHN CC[C@@H]1[C@H](C)CCN1CCNS(C)(=O)=O ZINC000185589829 134381861 /nfs/dbraw/zinc/38/18/61/134381861.db2.gz DMUFNJJXXHPISA-NXEZZACHSA-N 0 3 234.365 0.656 20 0 BCADHN C[C@@H](O)CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000408070616 134386414 /nfs/dbraw/zinc/38/64/14/134386414.db2.gz KCODXIJPSMOFKE-OPRDCNLKSA-N 0 3 214.309 0.356 20 0 BCADHN CC(C)N(C)CCNCc1cn(C)nn1 ZINC000054861226 134388972 /nfs/dbraw/zinc/38/89/72/134388972.db2.gz OCRSECRSJCGSDV-UHFFFAOYSA-N 0 3 211.313 0.245 20 0 BCADHN CC1(CN[C@H]2CCS(=O)(=O)C2)CCC1 ZINC000227875591 134391647 /nfs/dbraw/zinc/39/16/47/134391647.db2.gz KYVZDJMZATXMTP-VIFPVBQESA-N 0 3 217.334 0.953 20 0 BCADHN CCNC(=O)CCN1CCCC[C@]1(C)C(N)=O ZINC000185922867 134397136 /nfs/dbraw/zinc/39/71/36/134397136.db2.gz KPDIBTMDWMQGMN-GFCCVEGCSA-N 0 3 241.335 0.243 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H](N2CCCCC2)C1 ZINC000062982349 134463588 /nfs/dbraw/zinc/46/35/88/134463588.db2.gz CIBFJJBIAZJDQY-NWDGAFQWSA-N 0 3 239.363 0.811 20 0 BCADHN CC[C@H](NC(=O)[C@H]1C[C@H](F)CN1)[C@H]1CCCO1 ZINC000188979441 134539509 /nfs/dbraw/zinc/53/95/09/134539509.db2.gz KJAWENOMSJGQFB-UKKRHICBSA-N 0 3 244.310 0.760 20 0 BCADHN CCOC(=O)CCN1C[C@H](OC)[C@@H](OC)C1 ZINC000233656527 134565218 /nfs/dbraw/zinc/56/52/18/134565218.db2.gz BSHBNCQMOFDWMH-UWVGGRQHSA-N 0 3 231.292 0.285 20 0 BCADHN C[C@@H](NC(=O)C(=O)NCCN)C1CCCCC1 ZINC000052332463 134701952 /nfs/dbraw/zinc/70/19/52/134701952.db2.gz MKWZJIXRFJTHOZ-SECBINFHSA-N 0 3 241.335 0.146 20 0 BCADHN CS(=O)(=O)NCCN[C@H]1CCCSC1 ZINC000061572356 134798177 /nfs/dbraw/zinc/79/81/77/134798177.db2.gz JTJYHTREJLLCIP-QMMMGPOBSA-N 0 3 238.378 0.021 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1C[C@H](O)c1ccccc1 ZINC000248390865 135001260 /nfs/dbraw/zinc/00/12/60/135001260.db2.gz IUYGCLGKLZQKMX-XQQFMLRXSA-N 0 3 237.299 0.148 20 0 BCADHN C[C@H](N[C@H]1CCCC[C@H]1C(N)=O)C(=O)N(C)C ZINC000248393488 135002237 /nfs/dbraw/zinc/00/22/37/135002237.db2.gz GVDQADWSBBHOFS-AEJSXWLSSA-N 0 3 241.335 0.097 20 0 BCADHN CO[C@H](C)CN1CCC[C@H]1C(=O)NC1CC1 ZINC000248411188 135007015 /nfs/dbraw/zinc/00/70/15/135007015.db2.gz DNDFLZZWSPCEON-KOLCDFICSA-N 0 3 226.320 0.764 20 0 BCADHN COCCN(C[C@](C)(O)C(=O)OC)C1CC1 ZINC000070714465 135009695 /nfs/dbraw/zinc/00/96/95/135009695.db2.gz YCDPBLQQGXKGKP-NSHDSACASA-N 0 3 231.292 0.021 20 0 BCADHN COCCN(C[C@@](C)(O)C(=O)OC)C1CC1 ZINC000070714464 135009909 /nfs/dbraw/zinc/00/99/09/135009909.db2.gz YCDPBLQQGXKGKP-LLVKDONJSA-N 0 3 231.292 0.021 20 0 BCADHN C[C@@H]1CCCC[C@@H]1CN1CCO[C@@H](C(N)=O)C1 ZINC000248446904 135011521 /nfs/dbraw/zinc/01/15/21/135011521.db2.gz CTMWJIHUISQBMK-IJLUTSLNSA-N 0 3 240.347 0.999 20 0 BCADHN CNC(=O)NC(=O)CN1C[C@@H](C)CC[C@H]1C ZINC000076149753 135013709 /nfs/dbraw/zinc/01/37/09/135013709.db2.gz CPCVDTAPCSMVTJ-DTWKUNHWSA-N 0 3 227.308 0.562 20 0 BCADHN CC(C)CS(=O)(=O)C(C)C(=O)N(C)C ZINC000076214278 135019671 /nfs/dbraw/zinc/01/96/71/135019671.db2.gz DABLMVWMTNGLPN-MRVPVSSYSA-N 0 3 221.322 0.534 20 0 BCADHN Cn1ccc(CNCC[C@H]2CCOC2)n1 ZINC000230162855 135019906 /nfs/dbraw/zinc/01/99/06/135019906.db2.gz XHFKORNHUUWFBD-JTQLQIEISA-N 0 3 209.293 0.936 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCC[C@H]2O)C[C@H](CO)O1 ZINC000248822862 135022854 /nfs/dbraw/zinc/02/28/54/135022854.db2.gz JNBUBDRTVRPCML-DDHJBXDOSA-N 0 3 229.320 0.372 20 0 BCADHN O=C1NC[C@H]2CN(CC[C@@H]3CCCO3)CCN12 ZINC000248942302 135027297 /nfs/dbraw/zinc/02/72/97/135027297.db2.gz CVQHKQAARSVDIG-QWRGUYRKSA-N 0 3 239.319 0.265 20 0 BCADHN C[C@H]1CN(CCN2CCC[C@@H](O)C2)CCO1 ZINC000248998315 135029348 /nfs/dbraw/zinc/02/93/48/135029348.db2.gz HBCBALPGEFIRSQ-NWDGAFQWSA-N 0 3 228.336 0.164 20 0 BCADHN COC(=O)[C@@H]1CCN(CCOCCO)C[C@H]1C ZINC000249037571 135031064 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ZINC000228092835 487586204 /nfs/dbraw/zinc/58/62/04/487586204.db2.gz VXXXNHJJPSVUEY-LLVKDONJSA-N 0 3 245.286 0.429 20 0 BCADHN Cc1ccc([C@@H](N)C(=O)NCc2nnc[nH]2)cc1 ZINC000228092835 487586210 /nfs/dbraw/zinc/58/62/10/487586210.db2.gz VXXXNHJJPSVUEY-LLVKDONJSA-N 0 3 245.286 0.429 20 0 BCADHN Cc1ccc([C@@H]([NH3+])C(=O)NCc2nnc[n-]2)cc1 ZINC000228092835 487586216 /nfs/dbraw/zinc/58/62/16/487586216.db2.gz VXXXNHJJPSVUEY-LLVKDONJSA-N 0 3 245.286 0.429 20 0 BCADHN COC[C@H]1CCCN1CCN1C(=O)CCC1=O ZINC000674470166 487586349 /nfs/dbraw/zinc/58/63/49/487586349.db2.gz NVFXSSHBPXEYIO-SNVBAGLBSA-N 0 3 240.303 0.246 20 0 BCADHN CC[C@@H](OC)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388505 487586527 /nfs/dbraw/zinc/58/65/27/487586527.db2.gz AFCVZDBTBBGVOI-IWSPIJDZSA-N 0 3 218.272 0.309 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCC([C@@H](C)O)CC1 ZINC000225913971 167262577 /nfs/dbraw/zinc/26/25/77/167262577.db2.gz YQSGEJNEQPDBRT-YPMHNXCESA-N 0 3 245.363 0.865 20 0 BCADHN Cc1ncc(CN2CCC[C@@H]2CO)n1C ZINC000667495076 487593079 /nfs/dbraw/zinc/59/30/79/487593079.db2.gz XEAMDHVXTOBDSD-SNVBAGLBSA-N 0 3 209.293 0.685 20 0 BCADHN COCC[C@@H](C)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000653827333 487594051 /nfs/dbraw/zinc/59/40/51/487594051.db2.gz WNKCAORVQSQBTD-GRYCIOLGSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@H]1CC[C@@H](CN2CCN3C[C@H](O)C[C@H]3C2)O1 ZINC000653829726 487594449 /nfs/dbraw/zinc/59/44/49/487594449.db2.gz USEUSPZXJCOIBU-RVMXOQNASA-N 0 3 240.347 0.305 20 0 BCADHN Cc1nccc(CN2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000653829214 487594571 /nfs/dbraw/zinc/59/45/71/487594571.db2.gz DBRQYNUHNCNUTM-QWHCGFSZSA-N 0 3 248.330 0.036 20 0 BCADHN CN1CC[C@@H]2OCCN(CC(F)F)[C@@H]2C1 ZINC000671494577 487595246 /nfs/dbraw/zinc/59/52/46/487595246.db2.gz OAQMCEUMJQHWFF-BDAKNGLRSA-N 0 3 220.263 0.656 20 0 BCADHN CN1CC[C@@H]2OCCN(CC(F)F)[C@H]2C1 ZINC000671494579 487595300 /nfs/dbraw/zinc/59/53/00/487595300.db2.gz OAQMCEUMJQHWFF-IUCAKERBSA-N 0 3 220.263 0.656 20 0 BCADHN CCN1CCCN(C(=O)NC[C@@H](C)OC)CC1 ZINC000666260235 487597919 /nfs/dbraw/zinc/59/79/19/487597919.db2.gz DZJPSHBNRNTFGW-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2ccn(C)n2)CN1C1CC1 ZINC000674688534 487606691 /nfs/dbraw/zinc/60/66/91/487606691.db2.gz CQSTVCKKKGPLNR-UWVGGRQHSA-N 0 3 248.330 0.775 20 0 BCADHN CCc1n[nH]cc1C(=O)N(C)CCN(C)C ZINC000674718453 487608751 /nfs/dbraw/zinc/60/87/51/487608751.db2.gz UOGKRSQYSGRQPE-UHFFFAOYSA-N 0 3 224.308 0.606 20 0 BCADHN CCn1ccc(CN(C)CCOCCO)c1 ZINC000683029207 487609075 /nfs/dbraw/zinc/60/90/75/487609075.db2.gz HBFNLQJQMBLOLH-UHFFFAOYSA-N 0 3 226.320 0.949 20 0 BCADHN CC(=O)N[C@@H]1CCN(C[C@H](O)C(C)C)C1 ZINC000300851652 487609561 /nfs/dbraw/zinc/60/95/61/487609561.db2.gz HHVIWFKORULKPE-MNOVXSKESA-N 0 3 214.309 0.214 20 0 BCADHN Cc1ccc(CN(C)C[C@H]2CNC(=O)C2)nc1 ZINC000660684340 409544404 /nfs/dbraw/zinc/54/44/04/409544404.db2.gz VNTDKPLPUCYRNN-LLVKDONJSA-N 0 3 233.315 0.958 20 0 BCADHN O[C@@H]1CCN(CCNc2cc3c(nn2)CCC3)C1 ZINC000624680561 409632421 /nfs/dbraw/zinc/63/24/21/409632421.db2.gz YJIMCPIILGPUHR-LLVKDONJSA-N 0 3 248.330 0.444 20 0 BCADHN Cc1nnc([C@H](C)N2CCNC[C@@](C)(F)C2)[nH]1 ZINC000662272694 409581075 /nfs/dbraw/zinc/58/10/75/409581075.db2.gz GXSCYQVCZRGIHL-GZMMTYOYSA-N 0 3 241.314 0.808 20 0 BCADHN CCN1CC[C@@H](N2CCNC[C@](C)(F)C2)C1=O ZINC000662274687 409586137 /nfs/dbraw/zinc/58/61/37/409586137.db2.gz WEJUJPMOVYIKGG-PWSUYJOCSA-N 0 3 243.326 0.241 20 0 BCADHN CN(C)[C@H]1C[C@@H](CNC(=O)C2CC(=O)C2)C1 ZINC000655245218 409701713 /nfs/dbraw/zinc/70/17/13/409701713.db2.gz FJZJFWIZWVIPHW-WAAGHKOSSA-N 0 3 224.304 0.422 20 0 BCADHN CC[C@H](NC)C(=O)NCC(=O)NC1CCCC1 ZINC000662420840 409705668 /nfs/dbraw/zinc/70/56/68/409705668.db2.gz KGJYKSVWBTXILQ-JTQLQIEISA-N 0 3 241.335 0.159 20 0 BCADHN C[C@H]1CN(C(=O)c2cccc3c2CNC3)CCN1 ZINC000662417449 409707328 /nfs/dbraw/zinc/70/73/28/409707328.db2.gz HOWDKPLWGZNDHK-JTQLQIEISA-N 0 3 245.326 0.724 20 0 BCADHN Cc1nnc(CN2C[C@H]3CCN(C)[C@H]3C2)s1 ZINC000660722971 409651396 /nfs/dbraw/zinc/65/13/96/409651396.db2.gz RFPJJMOFQPCSJB-ZJUUUORDSA-N 0 3 238.360 0.982 20 0 BCADHN CC1(C)C[C@H](N2CC[C@H](O)[C@@H](CO)C2)CO1 ZINC000660812372 409781539 /nfs/dbraw/zinc/78/15/39/409781539.db2.gz RRGQVWAOSQHCIK-VWYCJHECSA-N 0 3 229.320 0.229 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1ccncc1C ZINC000662529313 409746735 /nfs/dbraw/zinc/74/67/35/409746735.db2.gz VJCMUPBWRLNSNE-SECBINFHSA-N 0 3 207.277 0.748 20 0 BCADHN NC1(C(=O)Nc2c[nH]ccc2=O)CC2(CCC2)C1 ZINC000662686087 409831847 /nfs/dbraw/zinc/83/18/47/409831847.db2.gz ALMGRJHUKUDKIP-UHFFFAOYSA-N 0 3 247.298 0.975 20 0 BCADHN CO[C@@]1(C)C[C@H]1NC(=O)NCCN(C)C1CC1 ZINC000660841335 409833464 /nfs/dbraw/zinc/83/34/64/409833464.db2.gz WLDLXOKEFKPBII-PWSUYJOCSA-N 0 3 241.335 0.557 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N(C)C[C@@H]1CCCO1 ZINC000042465788 409844081 /nfs/dbraw/zinc/84/40/81/409844081.db2.gz VUPGLSZDXZNQHK-WDEREUQCSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@H](NC)C(=O)N1CC(=O)Nc2cnccc21 ZINC000662702366 409852434 /nfs/dbraw/zinc/85/24/34/409852434.db2.gz ZRWJAHQQXZDDCF-QMMMGPOBSA-N 0 3 248.286 0.365 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCC[C@H](COC)OC ZINC000662618230 409787426 /nfs/dbraw/zinc/78/74/26/409787426.db2.gz WBNQZXITKHTFIE-AXFHLTTASA-N 0 3 246.351 0.528 20 0 BCADHN CC(C)[C@H](O)CN1C[C@H](C)N(CCO)C[C@H]1C ZINC000660824612 409802323 /nfs/dbraw/zinc/80/23/23/409802323.db2.gz OXJVTCDJLGRHRB-YNEHKIRRSA-N 0 3 244.379 0.390 20 0 BCADHN CNC(=O)[C@@H]1CCN(CCO[C@@H]2CC2(F)F)C1 ZINC000660831153 409810769 /nfs/dbraw/zinc/81/07/69/409810769.db2.gz DGECISSTVFRJEE-RKDXNWHRSA-N 0 3 248.273 0.479 20 0 BCADHN Cn1cc(CCNC(=O)C2(N)CCCC2)cn1 ZINC000128102476 409905780 /nfs/dbraw/zinc/90/57/80/409905780.db2.gz DQEDNCFSWBYVIB-UHFFFAOYSA-N 0 3 236.319 0.350 20 0 BCADHN C[C@H](O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655350380 409922488 /nfs/dbraw/zinc/92/24/88/409922488.db2.gz MZTYXRIGXUGDRG-GARJFASQSA-N 0 3 226.320 0.500 20 0 BCADHN CC(C)NCC(=O)N1CC[C@H](C)C[C@H]1C(N)=O ZINC000662792998 409923517 /nfs/dbraw/zinc/92/35/17/409923517.db2.gz QGJGMCMXPNQXRU-UWVGGRQHSA-N 0 3 241.335 0.097 20 0 BCADHN CO[C@@H](C)CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000660848080 409858773 /nfs/dbraw/zinc/85/87/73/409858773.db2.gz UWIXNOMPWTUFHM-WDEREUQCSA-N 0 3 243.351 0.662 20 0 BCADHN N[C@@H](C(=O)N1CCc2nccnc2C1)C1CCC1 ZINC000662732878 409878110 /nfs/dbraw/zinc/87/81/10/409878110.db2.gz BKSHCFGMDZVSBP-GFCCVEGCSA-N 0 3 246.314 0.489 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCc2nccnc2C1 ZINC000662734523 409878858 /nfs/dbraw/zinc/87/88/58/409878858.db2.gz PVJOTLYCISWOLG-SKDRFNHKSA-N 0 3 248.330 0.735 20 0 BCADHN NC[C@@H](C(=O)NC/C=C/CO)c1ccccc1 ZINC000662856377 409956310 /nfs/dbraw/zinc/95/63/10/409956310.db2.gz RZQGKHMUWSBQBO-ZYOFXKKJSA-N 0 3 234.299 0.394 20 0 BCADHN CCn1ccnc1[C@@H](C)NC(=O)C1(N)CCC1 ZINC000662900493 409974461 /nfs/dbraw/zinc/97/44/61/409974461.db2.gz PWLBBZWIBRVAPX-SECBINFHSA-N 0 3 236.319 0.962 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000662918192 409978570 /nfs/dbraw/zinc/97/85/70/409978570.db2.gz GMFMRPDZEBISQX-GMTAPVOTSA-N 0 3 240.347 0.855 20 0 BCADHN C[C@@H](NC(=O)C(C)(C)N)c1nccn1C ZINC000662934068 409980258 /nfs/dbraw/zinc/98/02/58/409980258.db2.gz LTOVFKOQRUBMHZ-SSDOTTSWSA-N 0 3 210.281 0.335 20 0 BCADHN C[C@H](NC(=O)[C@H]1NCC1(C)C)c1nccn1C ZINC000662933645 409980843 /nfs/dbraw/zinc/98/08/43/409980843.db2.gz JBHZXYNONYBSPR-DTWKUNHWSA-N 0 3 236.319 0.595 20 0 BCADHN COc1cccc(CNC(=O)[C@@H](C)N)c1C ZINC000662946372 409983590 /nfs/dbraw/zinc/98/35/90/409983590.db2.gz CUKMWVSHFCLDSU-SECBINFHSA-N 0 3 222.288 0.967 20 0 BCADHN CC[C@@H](C(=O)N(C)Cc1nc(C)no1)N(C)C ZINC000655358599 409930297 /nfs/dbraw/zinc/93/02/97/409930297.db2.gz GNFVSQJFIMPBAE-VIFPVBQESA-N 0 3 240.307 0.677 20 0 BCADHN CC[C@H](NC)C(=O)N1CCc2ccncc21 ZINC000662809069 409932503 /nfs/dbraw/zinc/93/25/03/409932503.db2.gz YRTYPTAPJAXCOX-JTQLQIEISA-N 0 3 219.288 0.969 20 0 BCADHN COCCNCC(=O)N(C)C[C@@H]1CC1(C)C ZINC000662991362 410016610 /nfs/dbraw/zinc/01/66/10/410016610.db2.gz SWCXEGFRSBLKDD-JTQLQIEISA-N 0 3 228.336 0.727 20 0 BCADHN CC(C)NS(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000408142022 410042771 /nfs/dbraw/zinc/04/27/71/410042771.db2.gz OGVYVILWMVDRRT-JTQLQIEISA-N 0 3 249.380 0.255 20 0 BCADHN Cc1cn(C)nc1NC(=O)C1(N)CCCC1 ZINC000662970904 410001012 /nfs/dbraw/zinc/00/10/12/410001012.db2.gz SUORLXIVAWMTDC-UHFFFAOYSA-N 0 3 222.292 0.939 20 0 BCADHN C[C@H](O)CN(C(=O)CN1CC[C@H](C)C1)C1CC1 ZINC000655369902 410002471 /nfs/dbraw/zinc/00/24/71/410002471.db2.gz GPJIIRSHYCJRIC-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](O)CN(C(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC000655369901 410002728 /nfs/dbraw/zinc/00/27/28/410002728.db2.gz GPJIIRSHYCJRIC-MNOVXSKESA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1CN(CC2(CO)COC2)CCC1(F)F ZINC000558467039 410006630 /nfs/dbraw/zinc/00/66/30/410006630.db2.gz SUACLZYHPYOFBN-SECBINFHSA-N 0 3 235.274 0.972 20 0 BCADHN CCC1(O)CCN(C(=O)[C@@H]2NCC2(C)C)CC1 ZINC000653174542 410149804 /nfs/dbraw/zinc/14/98/04/410149804.db2.gz VKRFXPZKZNAOHY-JTQLQIEISA-N 0 3 240.347 0.748 20 0 BCADHN Cc1cnc(C(=O)N(C)C2CCN(C)CC2)cn1 ZINC000046468470 410137559 /nfs/dbraw/zinc/13/75/59/410137559.db2.gz NJUKBYVIYVSWAY-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@H]2COC[C@@H]21 ZINC000655405554 410212031 /nfs/dbraw/zinc/21/20/31/410212031.db2.gz SFWIWNKAAQQQBT-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCO[C@@H]1CCCN(C(=O)CNC)C1 ZINC000042424867 410155869 /nfs/dbraw/zinc/15/58/69/410155869.db2.gz QUKNAUCJFCUCQH-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN CN1CCC[C@H](NC(=O)Cc2cncc(O)c2)C1 ZINC000655391397 410194928 /nfs/dbraw/zinc/19/49/28/410194928.db2.gz LYMFKSCGCAAEOC-NSHDSACASA-N 0 3 249.314 0.540 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@@H](C)OCC12CCC2 ZINC000653254295 410237103 /nfs/dbraw/zinc/23/71/03/410237103.db2.gz NGKJPUAPQPQAJM-NXEZZACHSA-N 0 3 226.320 0.894 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@H](OCC(C)C)C1 ZINC000655441083 410264529 /nfs/dbraw/zinc/26/45/29/410264529.db2.gz AJAAFHWSKNSOIY-QWRGUYRKSA-N 0 3 228.336 0.868 20 0 BCADHN CO[C@@H]1CCCN(Cc2c[nH]nn2)CC1 ZINC000661123397 410278916 /nfs/dbraw/zinc/27/89/16/410278916.db2.gz BJRAYZQFUVZQOT-SNVBAGLBSA-N 0 3 210.281 0.806 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCC([C@@H](C)CO)CC1 ZINC000653252379 410232374 /nfs/dbraw/zinc/23/23/74/410232374.db2.gz QELMCELHPMBWJC-CMPLNLGQSA-N 0 3 242.363 0.837 20 0 BCADHN CCCC(C)(C)NC(=O)CN1CCNCC1 ZINC000126163967 410322168 /nfs/dbraw/zinc/32/21/68/410322168.db2.gz ZDLQJYFZECVZKL-UHFFFAOYSA-N 0 3 227.352 0.587 20 0 BCADHN Cn1nncc1CN[C@@H]1CNc2ccccc2C1 ZINC000650716935 410355138 /nfs/dbraw/zinc/35/51/38/410355138.db2.gz NRVDOAJIIJIREW-NSHDSACASA-N 0 3 243.314 0.942 20 0 BCADHN Cc1nc(CN[C@H](CO)C2CCC2)n[nH]1 ZINC000661151608 410303881 /nfs/dbraw/zinc/30/38/81/410303881.db2.gz FCPTYNIXXWEERO-SECBINFHSA-N 0 3 210.281 0.364 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@@H](CO)C1CCC1 ZINC000661154641 410306501 /nfs/dbraw/zinc/30/65/01/410306501.db2.gz BWDNPURMJKQTNO-JQWIXIFHSA-N 0 3 242.363 0.898 20 0 BCADHN CN1CCC[C@H](NC(=O)N[C@@H](CO)CCF)C1 ZINC000650724976 410361348 /nfs/dbraw/zinc/36/13/48/410361348.db2.gz QHVORSQWIVLKPL-VHSXEESVSA-N 0 3 247.314 0.100 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N1CCCNCC1 ZINC000087203609 487616163 /nfs/dbraw/zinc/61/61/63/487616163.db2.gz GVXWDDBMOJVFOD-NNYUYHANSA-N 0 3 240.347 0.868 20 0 BCADHN COC[C@@H](CN1CCC[C@@](CO)(OC)C1)OC ZINC000661384651 410600059 /nfs/dbraw/zinc/60/00/59/410600059.db2.gz IMPGMOXEEMMAES-VXGBXAGGSA-N 0 3 247.335 0.121 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000356394256 169764751 /nfs/dbraw/zinc/76/47/51/169764751.db2.gz SLHXBBZLYOCEQQ-QWRGUYRKSA-N 0 3 227.352 0.537 20 0 BCADHN CN(Cc1ccn(C)c(=O)c1)C1CC(O)C1 ZINC000680581540 487617967 /nfs/dbraw/zinc/61/79/67/487617967.db2.gz WUDUYUPYGYNLFV-UHFFFAOYSA-N 0 3 222.288 0.340 20 0 BCADHN CC(C)(C)CN[C@@H]1CCS(=O)(=O)C1 ZINC000040493120 166591751 /nfs/dbraw/zinc/59/17/51/166591751.db2.gz SDBRUGZDKJVJKN-MRVPVSSYSA-N 0 3 205.323 0.809 20 0 BCADHN COC[C@H](C)CN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000188585647 410692217 /nfs/dbraw/zinc/69/22/17/410692217.db2.gz LIWDDDKEFYOGHU-MXWKQRLJSA-N 0 3 228.336 0.855 20 0 BCADHN CCC[C@H](CNCC(=O)N(C)CC)OC ZINC000393480513 410694828 /nfs/dbraw/zinc/69/48/28/410694828.db2.gz IILLAOOAZQIPGV-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN CN[C@@H](C)C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000655482045 410734391 /nfs/dbraw/zinc/73/43/91/410734391.db2.gz MQUIDAFNYBCDST-ONGXEEELSA-N 0 3 238.287 0.787 20 0 BCADHN CN[C@@H](C)C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000655481842 410734761 /nfs/dbraw/zinc/73/47/61/410734761.db2.gz MQUIDAFNYBCDST-GXSJLCMTSA-N 0 3 238.287 0.787 20 0 BCADHN C[C@H](CNC(=O)C[C@H](C)n1ccnc1)N(C)C ZINC000651088928 410791467 /nfs/dbraw/zinc/79/14/67/410791467.db2.gz RTLLPTHYXAQVTR-WDEREUQCSA-N 0 3 238.335 0.901 20 0 BCADHN C[C@H](CCO)N(C)C(=O)N[C@@H](C)CN(C)C ZINC000651098923 410803506 /nfs/dbraw/zinc/80/35/06/410803506.db2.gz MJPZNPFYZQVRHP-VHSXEESVSA-N 0 3 231.340 0.349 20 0 BCADHN COCC1(CNC(=O)[C@H](N)CC(C)C)CC1 ZINC000655490534 410807966 /nfs/dbraw/zinc/80/79/66/410807966.db2.gz MXSMQDYOOQXZGU-SNVBAGLBSA-N 0 3 228.336 0.903 20 0 BCADHN CN[C@@H](C)C(=O)NCC1(COC)CC1 ZINC000655491092 410809801 /nfs/dbraw/zinc/80/98/01/410809801.db2.gz ZZEHFAQAHVVIGK-QMMMGPOBSA-N 0 3 200.282 0.137 20 0 BCADHN C[C@H]1C[C@H]1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000651108950 410812323 /nfs/dbraw/zinc/81/23/23/410812323.db2.gz MZLLTZLNFUSNAJ-UKKRHICBSA-N 0 3 208.305 0.805 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCCn1cccn1 ZINC000394837509 410825830 /nfs/dbraw/zinc/82/58/30/410825830.db2.gz VNIKDSXDAHACDA-VIFPVBQESA-N 0 3 222.292 0.140 20 0 BCADHN C[C@@H](CN[C@@H]1CC1(C)C)S(C)(=O)=O ZINC000651133629 410827118 /nfs/dbraw/zinc/82/71/18/410827118.db2.gz MIEUCOSZYFECSQ-JGVFFNPUSA-N 0 3 205.323 0.808 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCn1cccn1 ZINC000394837505 410827287 /nfs/dbraw/zinc/82/72/87/410827287.db2.gz VNIKDSXDAHACDA-SECBINFHSA-N 0 3 222.292 0.140 20 0 BCADHN C[C@@H](CNC(=O)N1CCC[C@@H](O)C1)N(C)C ZINC000651137759 410831767 /nfs/dbraw/zinc/83/17/67/410831767.db2.gz LXJZUNLVGOTQEO-VHSXEESVSA-N 0 3 229.324 0.103 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H]1CCCN(C)C1 ZINC000040673763 410885434 /nfs/dbraw/zinc/88/54/34/410885434.db2.gz KQCICCNIEJTDAY-JQWIXIFHSA-N 0 3 227.352 0.714 20 0 BCADHN C[C@@H](N)C(=O)N1CCOc2ccccc2C1 ZINC000040677813 410885908 /nfs/dbraw/zinc/88/59/08/410885908.db2.gz KVINRBAVLDEXGN-SECBINFHSA-N 0 3 220.272 0.755 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CCCN(C)C1 ZINC000040673635 410882397 /nfs/dbraw/zinc/88/23/97/410882397.db2.gz SLDDHWCVFFIMCI-MXWKQRLJSA-N 0 3 227.352 0.570 20 0 BCADHN CN1CCC[C@@H](NC(=O)[C@@H](N)CC(F)F)C1 ZINC000309222515 410898187 /nfs/dbraw/zinc/89/81/87/410898187.db2.gz YOVULUROVXCTKM-SFYZADRCSA-N 0 3 235.278 0.179 20 0 BCADHN CC(C)COC1CCN([C@H]2COC[C@@H]2O)CC1 ZINC000340291913 167023113 /nfs/dbraw/zinc/02/31/13/167023113.db2.gz YDAFAZKWCRATGE-STQMWFEESA-N 0 3 243.347 0.883 20 0 BCADHN CC(C)N1CC[C@H](Nc2nccn(C)c2=O)C1 ZINC000174703322 167024325 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/nfs/dbraw/zinc/04/30/16/167043016.db2.gz QIAGWASJOXBZLH-SNVBAGLBSA-N 0 3 246.376 0.311 20 0 BCADHN CC(C)NC(=O)CCN[C@@H](C)c1cn[nH]c1 ZINC000274133458 167044713 /nfs/dbraw/zinc/04/47/13/167044713.db2.gz WKICCMKDEXEHDU-VIFPVBQESA-N 0 3 224.308 0.975 20 0 BCADHN CC(C)NC(=O)CCN[C@@H](C(N)=O)C(C)(C)C ZINC000109330507 167044970 /nfs/dbraw/zinc/04/49/70/167044970.db2.gz RRSTVOLEESOBDG-JTQLQIEISA-N 0 3 243.351 0.391 20 0 BCADHN CC(C)NC(=O)CN(C)[C@H](C)C(C)(C)O ZINC000347729209 167049502 /nfs/dbraw/zinc/04/95/02/167049502.db2.gz HUZJDVAXSXWOTE-SECBINFHSA-N 0 3 216.325 0.602 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000375037003 167053373 /nfs/dbraw/zinc/05/33/73/167053373.db2.gz IRSKWFJUQDEGSP-RYUDHWBXSA-N 0 3 239.363 0.537 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@H]2CCN(C)C[C@H]21 ZINC000370203583 167054162 /nfs/dbraw/zinc/05/41/62/167054162.db2.gz ITKVHJXPKYXLJW-NWDGAFQWSA-N 0 3 239.363 0.537 20 0 BCADHN CC(C)NC(=O)CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000126117833 167055847 /nfs/dbraw/zinc/05/58/47/167055847.db2.gz SHNCCANNKPTJON-UWVGGRQHSA-N 0 3 241.335 0.015 20 0 BCADHN CC(C)NC(=O)CN[C@H]1CCOC1(C)C ZINC000336892912 167060665 /nfs/dbraw/zinc/06/06/65/167060665.db2.gz KFOHJIIABXBFAY-VIFPVBQESA-N 0 3 214.309 0.668 20 0 BCADHN CC(C)NC(=O)NCC1=CCN(C)CC1 ZINC000271830769 167071394 /nfs/dbraw/zinc/07/13/94/167071394.db2.gz QWEOCTNHEYFBHJ-UHFFFAOYSA-N 0 3 211.309 0.956 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1CCCC[C@H]1O ZINC000052009909 167097763 /nfs/dbraw/zinc/09/77/63/167097763.db2.gz VQHUAVPKEPGDHS-NXEZZACHSA-N 0 3 214.309 0.404 20 0 BCADHN CC(C)NCc1cccc(S(N)(=O)=O)c1 ZINC000037485384 167118887 /nfs/dbraw/zinc/11/88/87/167118887.db2.gz TUOKLTGYABLGRO-UHFFFAOYSA-N 0 3 228.317 0.832 20 0 BCADHN CC(C)OC(=O)CCN(C)[C@@H](C)CO ZINC000305462775 167153934 /nfs/dbraw/zinc/15/39/34/167153934.db2.gz VZFFXPXSZXQNHQ-VIFPVBQESA-N 0 3 203.282 0.641 20 0 BCADHN CC(C)OC(=O)CCN(C)CCC(N)=O ZINC000353171392 167154206 /nfs/dbraw/zinc/15/42/06/167154206.db2.gz IIHXCQYKVNLNTB-UHFFFAOYSA-N 0 3 216.281 0.135 20 0 BCADHN CC(C)OC(=O)[C@H](C)CNC(=O)[C@@H](N)C(C)C ZINC000119393340 167170691 /nfs/dbraw/zinc/17/06/91/167170691.db2.gz XBUWIDJGMCBFPE-ZJUUUORDSA-N 0 3 244.335 0.674 20 0 BCADHN CC(C)OCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000335967548 167180984 /nfs/dbraw/zinc/18/09/84/167180984.db2.gz CVRUZZDRZXJYCT-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)OCC(=O)NCC1=CCN(C)CC1 ZINC000271935927 167185343 /nfs/dbraw/zinc/18/53/43/167185343.db2.gz WAMKNWIKRSMPSR-UHFFFAOYSA-N 0 3 226.320 0.790 20 0 BCADHN CC[NH+](CC)C[C@@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000341550666 169784679 /nfs/dbraw/zinc/78/46/79/169784679.db2.gz UBSLBVFUDTVHJV-SECBINFHSA-N 0 3 248.334 0.869 20 0 BCADHN CC(C)OCCN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000372620965 167231594 /nfs/dbraw/zinc/23/15/94/167231594.db2.gz PPSJTUZBTWEJPS-GFCCVEGCSA-N 0 3 242.319 0.986 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NC[C@@]1(C)CCOC1 ZINC000397276596 410918522 /nfs/dbraw/zinc/91/85/22/410918522.db2.gz QCVXONALBXRLLP-BXKDBHETSA-N 0 3 226.320 0.670 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@H](O)[C@@H](C)C1 ZINC000351830372 167269927 /nfs/dbraw/zinc/26/99/27/167269927.db2.gz SDULVDZERPAIST-AXFHLTTASA-N 0 3 217.309 0.085 20 0 BCADHN CC(C)OC[C@H](O)CN[C@](C)(C(N)=O)C(C)C ZINC000310093320 167270246 /nfs/dbraw/zinc/27/02/46/167270246.db2.gz GIEFACQBQSTRSY-PWSUYJOCSA-N 0 3 246.351 0.262 20 0 BCADHN CNCC(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000655495360 410913258 /nfs/dbraw/zinc/91/32/58/410913258.db2.gz NGQNUASDNUVDPB-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN CNCC(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000655495362 410913561 /nfs/dbraw/zinc/91/35/61/410913561.db2.gz NGQNUASDNUVDPB-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)Oc1cccc(CNC(CO)CO)c1 ZINC000087751786 167306992 /nfs/dbraw/zinc/30/69/92/167306992.db2.gz HKVMPFHGCAUFPL-UHFFFAOYSA-N 0 3 239.315 0.917 20 0 BCADHN CC(C)SCCN(CCO)C[C@@H](C)O ZINC000336699544 167323696 /nfs/dbraw/zinc/32/36/96/167323696.db2.gz WNCRUZKVBXQLNE-SNVBAGLBSA-N 0 3 221.366 0.803 20 0 BCADHN COc1cc(C)nc(NCC2(N(C)C)CC2)n1 ZINC000397867686 410936484 /nfs/dbraw/zinc/93/64/84/410936484.db2.gz RBLMPCHNYXVZBV-UHFFFAOYSA-N 0 3 236.319 0.722 20 0 BCADHN CN(C)CCNC(=O)C[C@@H]1CCCO1 ZINC000046737669 410943496 /nfs/dbraw/zinc/94/34/96/410943496.db2.gz AZLNDMQFIUXOHA-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@@H](CO)C1CC1)N(C)C ZINC000359777013 167341626 /nfs/dbraw/zinc/34/16/26/167341626.db2.gz DPBLEOXCUKQZRG-RYUDHWBXSA-N 0 3 242.363 0.707 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@@H](O)C1CC1)N(C)C ZINC000337641915 167341675 /nfs/dbraw/zinc/34/16/75/167341675.db2.gz GUCOGIUSFNRXDY-MNOVXSKESA-N 0 3 228.336 0.460 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC(O)(C2CC2)C1)N(C)C ZINC000357080931 167341852 /nfs/dbraw/zinc/34/18/52/167341852.db2.gz UAVBWXDKIQKCJX-NSHDSACASA-N 0 3 240.347 0.556 20 0 BCADHN CC(C)[C@@H](C(=O)NCC[C@@H](C)O)N(C)C ZINC000127404465 167341883 /nfs/dbraw/zinc/34/18/83/167341883.db2.gz DJAXXIGDNDTUMG-ZJUUUORDSA-N 0 3 216.325 0.460 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@H](C)O)N(C)C ZINC000127291943 167343161 /nfs/dbraw/zinc/34/31/61/167343161.db2.gz ZWPHAGIFBSOOCP-IUCAKERBSA-N 0 3 202.298 0.070 20 0 BCADHN CC(C)[C@@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC000339263378 167343454 /nfs/dbraw/zinc/34/34/54/167343454.db2.gz GURODOSWUAWJAB-QWRGUYRKSA-N 0 3 230.352 0.706 20 0 BCADHN CC(C)[C@@H](C(=O)NCCC(N)=O)N(C)C ZINC000332503976 167343405 /nfs/dbraw/zinc/34/34/05/167343405.db2.gz JQUZDCJOPNHCTB-VIFPVBQESA-N 0 3 215.297 0.614 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H]1CCOC1)N(C)C ZINC000337434959 167344509 /nfs/dbraw/zinc/34/45/09/167344509.db2.gz AQIRVYRFFSAQLZ-UWVGGRQHSA-N 0 3 214.309 0.478 20 0 BCADHN CC(C)[C@@H](C(=O)NCc1ccno1)N(C)C ZINC000330844481 167344850 /nfs/dbraw/zinc/34/48/50/167344850.db2.gz KYFFUOKYCNRGEE-JTQLQIEISA-N 0 3 225.292 0.877 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H](C)c1ncon1)N(C)C ZINC000272142890 167345028 /nfs/dbraw/zinc/34/50/28/167345028.db2.gz DVERTMIOJQOZHG-IUCAKERBSA-N 0 3 240.307 0.833 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H](C)c1nnc[n-]1)[NH+](C)C ZINC000155498060 167345503 /nfs/dbraw/zinc/34/55/03/167345503.db2.gz RVUVOTVKROJGDU-IUCAKERBSA-N 0 3 239.323 0.568 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)C(N)C(F)(F)F ZINC000352922633 167392067 /nfs/dbraw/zinc/39/20/67/167392067.db2.gz PLKAVSMAGUYIFK-RQJHMYQMSA-N 0 3 242.241 0.399 20 0 BCADHN CC(C)[C@@H](CCO)NCC(=O)N1CCCC1 ZINC000161921047 167392267 /nfs/dbraw/zinc/39/22/67/167392267.db2.gz OHWQLBVBHBUEPW-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@H](N)CC(C)C ZINC000041679452 410934000 /nfs/dbraw/zinc/93/40/00/410934000.db2.gz WSFXMRMCZOPTMC-VHSXEESVSA-N 0 3 216.325 0.759 20 0 BCADHN Cn1cccc1CN[C@@H](CO)CCF ZINC000652016398 410975032 /nfs/dbraw/zinc/97/50/32/410975032.db2.gz ZEZYMJBPSDGVQD-SECBINFHSA-N 0 3 200.257 0.835 20 0 BCADHN CCn1cncc1CN[C@@H](CO)CCF ZINC000652017542 410984437 /nfs/dbraw/zinc/98/44/37/410984437.db2.gz YBHNVGLTWRAEFD-SECBINFHSA-N 0 3 215.272 0.713 20 0 BCADHN C=Cn1cc(CN[C@@H](CO)CCF)cn1 ZINC000652018001 410988355 /nfs/dbraw/zinc/98/83/55/410988355.db2.gz IHKDHPOZULWOFZ-SNVBAGLBSA-N 0 3 213.256 0.794 20 0 BCADHN CN(C)c1ncc(CN[C@@H](CO)CCF)n1C ZINC000652018207 410989419 /nfs/dbraw/zinc/98/94/19/410989419.db2.gz NJPPBYZZFYNZPJ-SECBINFHSA-N 0 3 244.314 0.296 20 0 BCADHN CO[C@H](CN1CCC(O)(CO)CC1)C1CCC1 ZINC000661620100 411068439 /nfs/dbraw/zinc/06/84/39/411068439.db2.gz GMLNFMHLZXRKRP-GFCCVEGCSA-N 0 3 243.347 0.621 20 0 BCADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H](C)[C@H]1O ZINC000661620994 411071771 /nfs/dbraw/zinc/07/17/71/411071771.db2.gz CBDVFAIVIDBEOA-IWIIMEHWSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@H]1CN(Cc2cn[nH]c2)C[C@H](C)C1O ZINC000661624239 411080999 /nfs/dbraw/zinc/08/09/99/411080999.db2.gz JJIAMXGGGLLLLJ-IUCAKERBSA-N 0 3 209.293 0.858 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)CN1CCNCC1 ZINC000042558793 411017548 /nfs/dbraw/zinc/01/75/48/411017548.db2.gz RPQPPWZONONEJY-QWRGUYRKSA-N 0 3 227.352 0.442 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](C)Cc1ccccn1 ZINC000655499572 411030637 /nfs/dbraw/zinc/03/06/37/411030637.db2.gz MVGFUWAWMUQZDX-ZJUUUORDSA-N 0 3 221.304 0.737 20 0 BCADHN N[C@H](C(=O)Nc1cncnc1)C1CCC1 ZINC000399280666 411030799 /nfs/dbraw/zinc/03/07/99/411030799.db2.gz XINKUUBZQOHBJZ-VIFPVBQESA-N 0 3 206.249 0.543 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCC1CCOCC1 ZINC000082545498 411133804 /nfs/dbraw/zinc/13/38/04/411133804.db2.gz AATFZMYZKNJVRE-NSHDSACASA-N 0 3 228.336 0.903 20 0 BCADHN CCN1CCN(CCCC(=O)N(C)C)[C@@H](C)C1 ZINC000653672513 411163252 /nfs/dbraw/zinc/16/32/52/411163252.db2.gz QAABUXSNUSRCKE-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN C[C@@H](CO)CNCc1cnnn1-c1ccccc1 ZINC000651686846 411136032 /nfs/dbraw/zinc/13/60/32/411136032.db2.gz NTFUAYXAHJDCRB-LLVKDONJSA-N 0 3 246.314 0.985 20 0 BCADHN COCCCCNC(=O)[C@H](N)CC(C)C ZINC000044659819 411138939 /nfs/dbraw/zinc/13/89/39/411138939.db2.gz ZKDXEMJTDFJMQA-SNVBAGLBSA-N 0 3 216.325 0.903 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726820 411140021 /nfs/dbraw/zinc/14/00/21/411140021.db2.gz BHRGUWZZGCNCMC-WCBMZHEXSA-N 0 3 211.309 0.077 20 0 BCADHN CC1(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)CC1 ZINC000647706980 411140138 /nfs/dbraw/zinc/14/01/38/411140138.db2.gz UMPJSDVSQOEQDH-WDEREUQCSA-N 0 3 238.331 0.454 20 0 BCADHN OC[C@@H](O)CNCc1cccc2c1CCC2 ZINC000651780296 411143298 /nfs/dbraw/zinc/14/32/98/411143298.db2.gz FEYPOQPULHGHGZ-LBPRGKRZSA-N 0 3 221.300 0.618 20 0 BCADHN OC[C@H]1CN(Cc2cccc3c2CCC3)C[C@H]1O ZINC000651829223 411146837 /nfs/dbraw/zinc/14/68/37/411146837.db2.gz UXJZGKOEKBYQBI-UKRRQHHQSA-N 0 3 247.338 0.960 20 0 BCADHN OC[C@@H]1CN(Cc2cccc3c2CCC3)C[C@@H]1O ZINC000651829224 411146885 /nfs/dbraw/zinc/14/68/85/411146885.db2.gz UXJZGKOEKBYQBI-ZFWWWQNUSA-N 0 3 247.338 0.960 20 0 BCADHN COc1ccc(CN[C@H]2C[C@@H](C(N)=O)C2)cn1 ZINC000651938644 411151548 /nfs/dbraw/zinc/15/15/48/411151548.db2.gz DWSCVDRDDSVJIH-AOOOYVTPSA-N 0 3 235.287 0.444 20 0 BCADHN COC[C@H](O)CN[C@@H]1CCCn2nccc21 ZINC000657884761 411152673 /nfs/dbraw/zinc/15/26/73/411152673.db2.gz ACVFZJWBINGWGA-NXEZZACHSA-N 0 3 225.292 0.315 20 0 BCADHN Cc1c[nH]nc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651938947 411154448 /nfs/dbraw/zinc/15/44/48/411154448.db2.gz OFEIYRLHWUJQPV-OCAPTIKFSA-N 0 3 208.265 0.072 20 0 BCADHN CN(Cc1cccc(O)c1)C[C@H]1CNC(=O)C1 ZINC000659983628 411155467 /nfs/dbraw/zinc/15/54/67/411155467.db2.gz RLWHUUWSNZXEPU-LLVKDONJSA-N 0 3 234.299 0.960 20 0 BCADHN O=C(CNC1CC1)NCC1(CO)CCCCC1 ZINC000123555607 411155794 /nfs/dbraw/zinc/15/57/94/411155794.db2.gz YWTAFKNJLOMYRO-UHFFFAOYSA-N 0 3 240.347 0.797 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)[C@H]1NCC1(C)C ZINC000309514054 411157466 /nfs/dbraw/zinc/15/74/66/411157466.db2.gz QRKILVSZZDKQIM-RKDXNWHRSA-N 0 3 214.309 0.214 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000309513927 411157490 /nfs/dbraw/zinc/15/74/90/411157490.db2.gz YCHXKJLCCPYZBX-UTLUCORTSA-N 0 3 214.309 0.655 20 0 BCADHN CC1(C)C[C@H]1NC(=O)N[C@@H](CN)C(F)(F)F ZINC000655915743 411158063 /nfs/dbraw/zinc/15/80/63/411158063.db2.gz XFJLBPWWLMTMDR-RITPCOANSA-N 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COc1ccc2c(c1)CN(C(=O)[C@@H](C)N)C2 ZINC000655502190 411112254 /nfs/dbraw/zinc/11/22/54/411112254.db2.gz CTLODAXQDPFDHE-MRVPVSSYSA-N 0 3 220.272 0.885 20 0 BCADHN COC[C@@](C)(O)CNCc1ccc(CO)cc1 ZINC000394619656 411112572 /nfs/dbraw/zinc/11/25/72/411112572.db2.gz XMJFEYHCZCOOSX-ZDUSSCGKSA-N 0 3 239.315 0.666 20 0 BCADHN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)CN ZINC000309384163 411120677 /nfs/dbraw/zinc/12/06/77/411120677.db2.gz AERMMUZLZUCXCP-WDEREUQCSA-N 0 3 204.273 0.926 20 0 BCADHN CCc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)[nH]n1 ZINC000644813243 411123415 /nfs/dbraw/zinc/12/34/15/411123415.db2.gz AAMLVRDQLATCKM-SKDRFNHKSA-N 0 3 248.330 0.748 20 0 BCADHN CCc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)n[nH]1 ZINC000644813243 411123418 /nfs/dbraw/zinc/12/34/18/411123418.db2.gz AAMLVRDQLATCKM-SKDRFNHKSA-N 0 3 248.330 0.748 20 0 BCADHN CO[C@H](CN(CCO)CCO)C1CCCCC1 ZINC000659879292 411176444 /nfs/dbraw/zinc/17/64/44/411176444.db2.gz SYVDWIQLXCIITB-CYBMUJFWSA-N 0 3 245.363 0.868 20 0 BCADHN 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ZINC000652300927 411192067 /nfs/dbraw/zinc/19/20/67/411192067.db2.gz OOKAUHQGJBPWOO-MNOVXSKESA-N 0 3 248.330 0.996 20 0 BCADHN C[C@]12COC[C@H]1CN(C[C@H](O)C(F)(F)F)C2 ZINC000661700729 411192162 /nfs/dbraw/zinc/19/21/62/411192162.db2.gz GSUJXGROLJSBKI-VGMNWLOBSA-N 0 3 239.237 0.878 20 0 BCADHN CN(C[C@@H]1CCCN1C)c1cncc2ncnn21 ZINC000643197893 411193561 /nfs/dbraw/zinc/19/35/61/411193561.db2.gz SMDAATNABHWXOP-JTQLQIEISA-N 0 3 246.318 0.655 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H]1CCC(=O)N1 ZINC000070628062 411193632 /nfs/dbraw/zinc/19/36/32/411193632.db2.gz FAZZMIDRMUYBDP-VIFPVBQESA-N 0 3 208.265 0.086 20 0 BCADHN C[C@@H](CCCO)NC(=O)[C@@H]1NCC1(C)C ZINC000310004071 411194376 /nfs/dbraw/zinc/19/43/76/411194376.db2.gz FYFYTYQIHPEQBW-IUCAKERBSA-N 0 3 214.309 0.262 20 0 BCADHN CCn1cc(CNC[C@@H]2CCC(=O)N2)cn1 ZINC000070628474 411194491 /nfs/dbraw/zinc/19/44/91/411194491.db2.gz QYSKIEJGLHKERD-JTQLQIEISA-N 0 3 222.292 0.271 20 0 BCADHN C[C@@H](N[C@@H](CO)CCF)c1cnn(C)c1 ZINC000652306527 411196354 /nfs/dbraw/zinc/19/63/54/411196354.db2.gz XJLGYOBOKGUPPC-PSASIEDQSA-N 0 3 215.272 0.791 20 0 BCADHN CCC[C@H](O)CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000653833874 411196840 /nfs/dbraw/zinc/19/68/40/411196840.db2.gz CJEUGOMPSMLUDH-SDDRHHMPSA-N 0 3 240.347 0.700 20 0 BCADHN NC(=O)[C@@]1(NC[C@H]2CCC(F)(F)C2)CCOC1 ZINC000653847419 411199042 /nfs/dbraw/zinc/19/90/42/411199042.db2.gz WHXBRFSWZLFAMY-WCBMZHEXSA-N 0 3 248.273 0.656 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@@H]2CO[C@@H](C)C2)[C@@H]1OC ZINC000402191113 411199853 /nfs/dbraw/zinc/19/98/53/411199853.db2.gz DZRWOBIZZQVBIC-NGDQXYMTSA-N 0 3 229.320 0.946 20 0 BCADHN C[C@@H](NC(=O)NC[C@H](C)N(C)C)C(C)(C)O ZINC000656195830 411200940 /nfs/dbraw/zinc/20/09/40/411200940.db2.gz WOXCYMNRXIJFHZ-DTWKUNHWSA-N 0 3 231.340 0.395 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CCC(O)CC1 ZINC000335108751 411203664 /nfs/dbraw/zinc/20/36/64/411203664.db2.gz LTYYZCRJRAFNPY-GFCCVEGCSA-N 0 3 240.347 0.844 20 0 BCADHN CCN1C[C@@H](N[C@H]2COC3(CCC3)C2)CC1=O ZINC000658030347 411207431 /nfs/dbraw/zinc/20/74/31/411207431.db2.gz QPGWPHUMLMXAQH-WDEREUQCSA-N 0 3 238.331 0.908 20 0 BCADHN NC1(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000310081795 411208841 /nfs/dbraw/zinc/20/88/41/411208841.db2.gz YAMQBOIHUTTYBV-QWRGUYRKSA-N 0 3 232.283 0.252 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@H]1COC2(CCC2)C1 ZINC000658034418 411208972 /nfs/dbraw/zinc/20/89/72/411208972.db2.gz LOAHZSQRGSQIAE-OUAUKWLOSA-N 0 3 227.304 0.701 20 0 BCADHN Cc1cncc(N2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000656219476 411212392 /nfs/dbraw/zinc/21/23/92/411212392.db2.gz YGWBTPBMHLMADB-WDEREUQCSA-N 0 3 234.303 0.040 20 0 BCADHN CC[C@@H](NC(=O)C1(N)CC1)[C@@H]1CCCCO1 ZINC000656231267 411215626 /nfs/dbraw/zinc/21/56/26/411215626.db2.gz DOMQLUBOQXXRQQ-ZJUUUORDSA-N 0 3 226.320 0.942 20 0 BCADHN CC(C)n1nccc1CN[C@H](C)CC(N)=O ZINC000336731811 167794168 /nfs/dbraw/zinc/79/41/68/167794168.db2.gz FJFODFOYPVZIAU-SECBINFHSA-N 0 3 224.308 0.818 20 0 BCADHN C[C@@H](N[C@H]1CC[C@H](C)SC1)C(N)=O ZINC000656257639 411218647 /nfs/dbraw/zinc/21/86/47/411218647.db2.gz JUFFRWHZFGDRIA-RNJXMRFFSA-N 0 3 202.323 0.734 20 0 BCADHN COC[C@H](NC(=O)NC[C@H](C)N(C)C)C(C)C ZINC000652385795 411222999 /nfs/dbraw/zinc/22/29/99/411222999.db2.gz OUZRPLYQMGEVAD-QWRGUYRKSA-N 0 3 245.367 0.907 20 0 BCADHN Cn1cccc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000656273182 411223361 /nfs/dbraw/zinc/22/33/61/411223361.db2.gz WVYUKKNHNJNJNE-QWHCGFSZSA-N 0 3 235.331 0.276 20 0 BCADHN CN1CC[C@H](NC(=O)NCC(F)(F)F)C1 ZINC000049028861 411223429 /nfs/dbraw/zinc/22/34/29/411223429.db2.gz FGJYEHCYXATBNW-LURJTMIESA-N 0 3 225.214 0.552 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)Cc1cn[nH]c1 ZINC000069763629 411224530 /nfs/dbraw/zinc/22/45/30/411224530.db2.gz FIVYBNQJERYKSV-JTQLQIEISA-N 0 3 224.308 0.742 20 0 BCADHN NC(=O)c1csc(CN[C@H]2CCC[C@@H]2O)c1 ZINC000124534629 411228879 /nfs/dbraw/zinc/22/88/79/411228879.db2.gz JEBSUUUJGHVQJS-UWVGGRQHSA-N 0 3 240.328 0.850 20 0 BCADHN CC(C)OCCN1CCC[C@@]12CCNC2=O ZINC000653713414 411231824 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/nfs/dbraw/zinc/23/97/59/411239759.db2.gz PWRZXCKOMMTVQR-WDEREUQCSA-N 0 3 247.360 0.314 20 0 BCADHN Cn1cc2c(n1)CCC[C@@H]2NC/C=C/CO ZINC000658138508 411263051 /nfs/dbraw/zinc/26/30/51/411263051.db2.gz NSYKGDUPKGXXLS-VUDBWIFFSA-N 0 3 221.304 0.936 20 0 BCADHN CC(C)(N)c1cn(-c2ccccc2CO)nn1 ZINC000656454699 411263421 /nfs/dbraw/zinc/26/34/21/411263421.db2.gz JCUTYRJRDCCKRC-UHFFFAOYSA-N 0 3 232.287 0.953 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CCO[C@H]1CC1(F)F ZINC000660148377 411263645 /nfs/dbraw/zinc/26/36/45/411263645.db2.gz KXSYNNOUQXZGQG-HLTSFMKQSA-N 0 3 221.247 0.866 20 0 BCADHN Cn1cc2c(n1)CCC[C@@H]2NC/C=C\CO ZINC000658138506 411263670 /nfs/dbraw/zinc/26/36/70/411263670.db2.gz NSYKGDUPKGXXLS-QUCGXOGASA-N 0 3 221.304 0.936 20 0 BCADHN C[C@@H](N[C@@H]1CCCS(=O)(=O)C1)C1(CO)CC1 ZINC000658155338 411269324 /nfs/dbraw/zinc/26/93/24/411269324.db2.gz PHWJYVNZWBJELR-NXEZZACHSA-N 0 3 247.360 0.314 20 0 BCADHN CCN(C(=O)CNCC1CC1)c1cnn(C)c1 ZINC000655521822 411269674 /nfs/dbraw/zinc/26/96/74/411269674.db2.gz KISXSJVYDOQFLD-UHFFFAOYSA-N 0 3 236.319 0.773 20 0 BCADHN O=C1C[C@@H](CN2CCOC3(CCC3)C2)CN1 ZINC000660158885 411269948 /nfs/dbraw/zinc/26/99/48/411269948.db2.gz XMWDBELMNBLBDC-SNVBAGLBSA-N 0 3 224.304 0.377 20 0 BCADHN COCC[C@H](C)[NH2+]Cc1nnc(COC)[n-]1 ZINC000658158160 411271165 /nfs/dbraw/zinc/27/11/65/411271165.db2.gz GQFGXPPZFMOTTO-QMMMGPOBSA-N 0 3 228.296 0.466 20 0 BCADHN CN(C)CCc1cn(C[C@@H]2CCOC2)nn1 ZINC000656450197 411272423 /nfs/dbraw/zinc/27/24/23/411272423.db2.gz ZMRNTLQCZUZWBK-JTQLQIEISA-N 0 3 224.308 0.419 20 0 BCADHN CN(C)CCc1cn(C[C@H]2CCOC2)nn1 ZINC000656450198 411272835 /nfs/dbraw/zinc/27/28/35/411272835.db2.gz ZMRNTLQCZUZWBK-SNVBAGLBSA-N 0 3 224.308 0.419 20 0 BCADHN CN(CCc1cn[nH]n1)CCc1cnccn1 ZINC000660167149 411275040 /nfs/dbraw/zinc/27/50/40/411275040.db2.gz ZOTKQMGPDBVZGC-UHFFFAOYSA-N 0 3 232.291 0.312 20 0 BCADHN NS(=O)(=O)[C@@H]1CCCN(CCC2CCC2)C1 ZINC000660169519 411277610 /nfs/dbraw/zinc/27/76/10/411277610.db2.gz KBQAVBWYBMXLFW-LLVKDONJSA-N 0 3 246.376 0.930 20 0 BCADHN CC(C)CN1CCN(c2ncnn2C)CC1 ZINC000653461748 411279235 /nfs/dbraw/zinc/27/92/35/411279235.db2.gz HXURZSOHJITUBT-UHFFFAOYSA-N 0 3 223.324 0.593 20 0 BCADHN CC(C(=O)N1CCC12CCCC2)S(C)(=O)=O ZINC000652579578 411280064 /nfs/dbraw/zinc/28/00/64/411280064.db2.gz CJJJUDGWQCMTBL-VIFPVBQESA-N 0 3 245.344 0.965 20 0 BCADHN CO[C@@H](C)CN[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000658170694 411280030 /nfs/dbraw/zinc/28/00/30/411280030.db2.gz IFUFEYUXBCEQOQ-GARJFASQSA-N 0 3 249.376 0.967 20 0 BCADHN CN1CCC(CC(=O)N[C@@H](CO)CCF)CC1 ZINC000652913039 411328457 /nfs/dbraw/zinc/32/84/57/411328457.db2.gz UAEDGZNVWWQVQC-LLVKDONJSA-N 0 3 246.326 0.555 20 0 BCADHN CC1(C(=O)NCCN2CCCC2)COC1 ZINC000359929071 167868422 /nfs/dbraw/zinc/86/84/22/167868422.db2.gz CWFXYSWGSPLDAC-UHFFFAOYSA-N 0 3 212.293 0.235 20 0 BCADHN CC(C)[C@@H]1CN(c2ncnn2C)CCN1C ZINC000653466632 411286067 /nfs/dbraw/zinc/28/60/67/411286067.db2.gz PKIUCLIXCSDGMD-JTQLQIEISA-N 0 3 223.324 0.592 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2cc(C)nnc2C)C1 ZINC000665669596 411289173 /nfs/dbraw/zinc/28/91/73/411289173.db2.gz DZZIXFMPJFGZGE-LLVKDONJSA-N 0 3 248.330 0.917 20 0 BCADHN COC[C@H](CO)NCc1cnc2c(C)cccn12 ZINC000353072666 411292683 /nfs/dbraw/zinc/29/26/83/411292683.db2.gz NAKXBXAGPBIAJX-NSHDSACASA-N 0 3 249.314 0.740 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000155134239 411293755 /nfs/dbraw/zinc/29/37/55/411293755.db2.gz CDSHBRLUOJNWAR-ZIDLFYJRSA-N 0 3 226.301 0.710 20 0 BCADHN CNC(=O)[C@@H](NC[C@@H](COC)OC)C(C)C ZINC000660196194 411293824 /nfs/dbraw/zinc/29/38/24/411293824.db2.gz HGMNFGZSZZBYMW-UWVGGRQHSA-N 0 3 232.324 0.008 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2(N)CCC2)[C@H](C)O1 ZINC000384529815 411295070 /nfs/dbraw/zinc/29/50/70/411295070.db2.gz CLNBBUVVOVMKCA-VGMNWLOBSA-N 0 3 212.293 0.550 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H](CO)CCF)N(C)C ZINC000652913664 411329860 /nfs/dbraw/zinc/32/98/60/411329860.db2.gz FDOWGXXAWOEDGV-VHSXEESVSA-N 0 3 234.315 0.409 20 0 BCADHN Cc1noc(CN(C)CCN2CCCC2)n1 ZINC000162502756 411298431 /nfs/dbraw/zinc/29/84/31/411298431.db2.gz UWSQIBLGHHLLJF-UHFFFAOYSA-N 0 3 224.308 0.906 20 0 BCADHN CCN(C(=O)NCCOC)[C@@H]1CCN(CC)C1 ZINC000656545440 411300487 /nfs/dbraw/zinc/30/04/87/411300487.db2.gz MPDXYINGQOQMJZ-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCOC2)CN1C1CC1 ZINC000177114859 487620429 /nfs/dbraw/zinc/62/04/29/487620429.db2.gz SLTCNIIXQBEJMU-MXWKQRLJSA-N 0 3 238.331 0.764 20 0 BCADHN CC(C)[C@H]1CNCCN1C(=O)CN(C)C ZINC000062571274 411306573 /nfs/dbraw/zinc/30/65/73/411306573.db2.gz DKPWUCLAIHUVTG-SNVBAGLBSA-N 0 3 213.325 0.004 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](N)C(C)C)[nH]n1 ZINC000309415363 411307086 /nfs/dbraw/zinc/30/70/86/411307086.db2.gz XGPOFUDXFBCCCK-VIFPVBQESA-N 0 3 210.281 0.318 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](N)C(C)C)n[nH]1 ZINC000309415363 411307087 /nfs/dbraw/zinc/30/70/87/411307087.db2.gz XGPOFUDXFBCCCK-VIFPVBQESA-N 0 3 210.281 0.318 20 0 BCADHN C[C@H](O)[C@H]1CCCN1CCN1CCCC1=O ZINC000661770354 411309185 /nfs/dbraw/zinc/30/91/85/411309185.db2.gz BTVBWXFQTODPDL-WDEREUQCSA-N 0 3 226.320 0.454 20 0 BCADHN c1ccc2c(c1)nnn2C[C@H]1CNCCO1 ZINC000656611195 411309428 /nfs/dbraw/zinc/30/94/28/411309428.db2.gz AJLNYRLBHVTOBA-SECBINFHSA-N 0 3 218.260 0.420 20 0 BCADHN CC(C)c1noc(OC[C@@H]2CNCCO2)n1 ZINC000656611430 411310033 /nfs/dbraw/zinc/31/00/33/411310033.db2.gz HRIUBPZBNYOGED-QMMMGPOBSA-N 0 3 227.264 0.560 20 0 BCADHN CCN1CCN(C[C@@H](COC)OC)CC1 ZINC000659827163 411310743 /nfs/dbraw/zinc/31/07/43/411310743.db2.gz NHRPTWCRTOMIOF-NSHDSACASA-N 0 3 216.325 0.285 20 0 BCADHN CC[C@@H]1CN(CC)CCN1C(=O)[C@H](C)N(C)C ZINC000654007603 411311297 /nfs/dbraw/zinc/31/12/97/411311297.db2.gz BKQCLFHNDOAUKW-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN NC(=O)C1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000659829093 411311754 /nfs/dbraw/zinc/31/17/54/411311754.db2.gz LTPKEJOMIXZQCC-VIFPVBQESA-N 0 3 248.273 0.608 20 0 BCADHN CN1CC(=O)N(CCN2CC[C@@H]3C[C@@H]3C2)C1=O ZINC000661965911 411331924 /nfs/dbraw/zinc/33/19/24/411331924.db2.gz BYWFZJGYAISNHT-NXEZZACHSA-N 0 3 237.303 0.222 20 0 BCADHN CN(CCNC(=O)[C@H]1C[C@H]1c1nnc[nH]1)C1CC1 ZINC000371575428 411332045 /nfs/dbraw/zinc/33/20/45/411332045.db2.gz PCMDRXFKBUBQOF-ZJUUUORDSA-N 0 3 249.318 0.119 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000658257651 411317043 /nfs/dbraw/zinc/31/70/43/411317043.db2.gz ZCKKJAKTTCIHBL-UTLUCORTSA-N 0 3 247.360 0.313 20 0 BCADHN Cc1ncncc1[C@H](C)NC[C@@H]1CCC(=O)N1 ZINC000658258243 411318130 /nfs/dbraw/zinc/31/81/30/411318130.db2.gz ZSMKFPIKEPHSJL-WPRPVWTQSA-N 0 3 234.303 0.714 20 0 BCADHN CC[C@H](NC[C@@H]1CCC(=O)N1)c1cnn(C)c1 ZINC000658260697 411318207 /nfs/dbraw/zinc/31/82/07/411318207.db2.gz YLJNUVKFNKMQRK-QWRGUYRKSA-N 0 3 236.319 0.739 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2ccc(N)nc2)CCN1C ZINC000124209043 411320320 /nfs/dbraw/zinc/32/03/20/411320320.db2.gz FTSPFUOFZJJBFV-GXSJLCMTSA-N 0 3 248.330 0.876 20 0 BCADHN OCCCN1CCC[C@@H]1CNc1nncs1 ZINC000450591982 411321147 /nfs/dbraw/zinc/32/11/47/411321147.db2.gz GWOFIOARWAPDQR-SECBINFHSA-N 0 3 242.348 0.797 20 0 BCADHN Cc1cncc(CCN(CCO)C[C@H](C)O)n1 ZINC000402891537 411321680 /nfs/dbraw/zinc/32/16/80/411321680.db2.gz FROKZNUATWHSEE-NSHDSACASA-N 0 3 239.319 0.003 20 0 BCADHN Cc1cncc(CCN2CC[C@@](C)(O)C2)n1 ZINC000402931228 411322070 /nfs/dbraw/zinc/32/20/70/411322070.db2.gz WFEKXADIPDCWOD-GFCCVEGCSA-N 0 3 221.304 0.784 20 0 BCADHN COC[C@H]1CCN1C[C@@]1(O)CCCOC1 ZINC000656700100 411324209 /nfs/dbraw/zinc/32/42/09/411324209.db2.gz KYXISAHWIKMSKU-MNOVXSKESA-N 0 3 215.293 0.249 20 0 BCADHN O[C@@]1(CN2CC3(CC3(F)F)C2)CCCOC1 ZINC000656700804 411325200 /nfs/dbraw/zinc/32/52/00/411325200.db2.gz UQLXBAIROPZGGB-SNVBAGLBSA-N 0 3 233.258 0.869 20 0 BCADHN COCC1(C)CN(C[C@]2(O)CCCOC2)C1 ZINC000656700556 411325952 /nfs/dbraw/zinc/32/59/52/411325952.db2.gz WFQJDIDPOQBFRI-GFCCVEGCSA-N 0 3 229.320 0.496 20 0 BCADHN CCS(=O)(=O)C1(CN[C@@H](C)[C@H](C)OC)CC1 ZINC000658298375 411326208 /nfs/dbraw/zinc/32/62/08/411326208.db2.gz FQWWEZWZWKVUFR-UWVGGRQHSA-N 0 3 249.376 0.967 20 0 BCADHN CCN1CC[C@H](N(C)C[C@H]2CCC[C@H]2O)C1=O ZINC000660127866 411249343 /nfs/dbraw/zinc/24/93/43/411249343.db2.gz IJHNDGPSRJSDJN-GRYCIOLGSA-N 0 3 240.347 0.700 20 0 BCADHN O=C(NCCO)N[C@H]1CCCN2CCCC[C@H]12 ZINC000653950728 411250086 /nfs/dbraw/zinc/25/00/86/411250086.db2.gz SUMUZABPLRQFPH-WDEREUQCSA-N 0 3 241.335 0.295 20 0 BCADHN O=C(NCCO)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000653950726 411250307 /nfs/dbraw/zinc/25/03/07/411250307.db2.gz SUMUZABPLRQFPH-MNOVXSKESA-N 0 3 241.335 0.295 20 0 BCADHN CC(C)(CC(N)=O)NCc1ccnc(N)c1 ZINC000630343624 411258302 /nfs/dbraw/zinc/25/83/02/411258302.db2.gz GLCWPNITQVECAD-UHFFFAOYSA-N 0 3 222.292 0.407 20 0 BCADHN CS(=O)(=O)CCCOc1cccc(CN)c1 ZINC000063014193 411333460 /nfs/dbraw/zinc/33/34/60/411333460.db2.gz PGJXHTHQNDQENA-UHFFFAOYSA-N 0 3 243.328 0.959 20 0 BCADHN c1c(CNC2CC2)nnn1-c1ccncc1 ZINC000656441207 411259741 /nfs/dbraw/zinc/25/97/41/411259741.db2.gz VQELVEVHHTVQPF-UHFFFAOYSA-N 0 3 215.260 0.914 20 0 BCADHN C[NH2+]C[C@H](C)NC(=O)NCc1ncccc1[O-] ZINC000659633950 411259921 /nfs/dbraw/zinc/25/99/21/411259921.db2.gz GTWBTUHAPJFICZ-QMMMGPOBSA-N 0 3 238.291 0.194 20 0 BCADHN CN(C)CCc1cn(CCCCCO)nn1 ZINC000656441682 411261210 /nfs/dbraw/zinc/26/12/10/411261210.db2.gz MADJCUWKGQUAFV-UHFFFAOYSA-N 0 3 226.324 0.545 20 0 BCADHN O=C(CN1CC[C@H]2COC[C@@H]2C1)N1CCCC1 ZINC000662031370 411349316 /nfs/dbraw/zinc/34/93/16/411349316.db2.gz DVLCWTPAMVXZCD-RYUDHWBXSA-N 0 3 238.331 0.577 20 0 BCADHN O[C@H]1C[C@H](N[C@H]2CCCn3nccc32)C1 ZINC000658348826 411350308 /nfs/dbraw/zinc/35/03/08/411350308.db2.gz SAULXOINEKOOML-GUBZILKMSA-N 0 3 207.277 0.831 20 0 BCADHN c1cc(CN2CC[C@H]3COC[C@H]3C2)n[nH]1 ZINC000662034578 411350711 /nfs/dbraw/zinc/35/07/11/411350711.db2.gz OFSBIUMVFNPLPL-VHSXEESVSA-N 0 3 207.277 0.878 20 0 BCADHN Cn1cc(CN2CC[C@H]3COC[C@H]3C2)cn1 ZINC000662040347 411352761 /nfs/dbraw/zinc/35/27/61/411352761.db2.gz XHWMUWIHCNCHMX-NWDGAFQWSA-N 0 3 221.304 0.888 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000662040264 411352861 /nfs/dbraw/zinc/35/28/61/411352861.db2.gz WHJPGVOUVOZTGX-OPRDCNLKSA-N 0 3 212.293 0.219 20 0 BCADHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000658408390 411354380 /nfs/dbraw/zinc/35/43/80/411354380.db2.gz FWARVRDQKXTJMD-LURJTMIESA-N 0 3 247.320 0.178 20 0 BCADHN O=S(=O)(NCCNC1CC1)c1ccncc1 ZINC000658365818 411356781 /nfs/dbraw/zinc/35/67/81/411356781.db2.gz XDMQLYXVTCSVHX-UHFFFAOYSA-N 0 3 241.316 0.112 20 0 BCADHN COCCOCCN1CCC2(COC2)C1 ZINC000662071746 411357325 /nfs/dbraw/zinc/35/73/25/411357325.db2.gz AZUWZNKWBVYIGA-UHFFFAOYSA-N 0 3 215.293 0.372 20 0 BCADHN CC[C@@H]1CN(C[C@@H](O)COC)[C@@H](CC)CO1 ZINC000403753458 411358153 /nfs/dbraw/zinc/35/81/53/411358153.db2.gz MQVXLLXDPPBHDA-QJPTWQEYSA-N 0 3 231.336 0.883 20 0 BCADHN CC[C@@H]1CN(C(=O)C2(N)CC2)[C@H](C)CO1 ZINC000403771146 411359283 /nfs/dbraw/zinc/35/92/83/411359283.db2.gz RINFOJGLBKHXDR-RKDXNWHRSA-N 0 3 212.293 0.504 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@@H](CC)OC[C@H]1C ZINC000403758362 411359288 /nfs/dbraw/zinc/35/92/88/411359288.db2.gz NUVIULMKYOOGRW-BBBLOLIVSA-N 0 3 214.309 0.750 20 0 BCADHN O=C(COCC(F)F)N1CCCNCC1 ZINC000130645568 411360199 /nfs/dbraw/zinc/36/01/99/411360199.db2.gz CPSHJDMGXDOTMG-UHFFFAOYSA-N 0 3 222.235 0.090 20 0 BCADHN CC(=O)NCc1ccc(CNC(=O)[C@@H](C)N)cc1 ZINC000659332846 411362287 /nfs/dbraw/zinc/36/22/87/411362287.db2.gz NNYVPUUPKLLBDC-SECBINFHSA-N 0 3 249.314 0.286 20 0 BCADHN CC1(C)CNCCN1C(=O)c1cccnc1 ZINC000062609500 167968539 /nfs/dbraw/zinc/96/85/39/167968539.db2.gz BLYHYOCAMIQLMQ-UHFFFAOYSA-N 0 3 219.288 0.906 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000658954725 411363549 /nfs/dbraw/zinc/36/35/49/411363549.db2.gz WGVKSMRISKGFLN-JBLDHEPKSA-N 0 3 226.320 0.465 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](C)N)[C@H](CC)CO1 ZINC000403871891 411363637 /nfs/dbraw/zinc/36/36/37/411363637.db2.gz RTXULCDQGXTTPC-IVZWLZJFSA-N 0 3 214.309 0.750 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCc1ccoc1 ZINC000658954212 411363601 /nfs/dbraw/zinc/36/36/01/411363601.db2.gz AKFDUFBMWDZWIM-JTQLQIEISA-N 0 3 210.277 0.922 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](C)N)[C@@H](CC)CO1 ZINC000403871890 411363728 /nfs/dbraw/zinc/36/37/28/411363728.db2.gz RTXULCDQGXTTPC-GUBZILKMSA-N 0 3 214.309 0.750 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000658955250 411363910 /nfs/dbraw/zinc/36/39/10/411363910.db2.gz SFKCKPNJOYKWAL-VWYCJHECSA-N 0 3 228.336 0.996 20 0 BCADHN C[C@H]1CN(CC(=O)N2CCCC2)C[C@]1(C)CO ZINC000662135288 411364473 /nfs/dbraw/zinc/36/44/73/411364473.db2.gz LAMIANLZGRRXHH-WCQYABFASA-N 0 3 240.347 0.559 20 0 BCADHN CC[C@H]1COC(C)(C)CN1CC1(CO)COC1 ZINC000403870195 411364483 /nfs/dbraw/zinc/36/44/83/411364483.db2.gz RMHZJXNAOAUYET-NSHDSACASA-N 0 3 243.347 0.885 20 0 BCADHN Cn1cc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)cn1 ZINC000658979259 411366061 /nfs/dbraw/zinc/36/60/61/411366061.db2.gz CIIDYQWGJIDGGE-RKDXNWHRSA-N 0 3 241.270 0.323 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](N)C(C)C)[C@H](C)CO1 ZINC000403923718 411367082 /nfs/dbraw/zinc/36/70/82/411367082.db2.gz IWQONGKQDPRSSC-MXWKQRLJSA-N 0 3 228.336 0.996 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](N)C(C)C)[C@@H](C)CO1 ZINC000403923710 411367134 /nfs/dbraw/zinc/36/71/34/411367134.db2.gz IWQONGKQDPRSSC-AXFHLTTASA-N 0 3 228.336 0.996 20 0 BCADHN CC[C@@H]1CN(CC2(CO)COC2)[C@H](CC)CO1 ZINC000403952651 411369081 /nfs/dbraw/zinc/36/90/81/411369081.db2.gz PTBRNMWTHAXUBS-VXGBXAGGSA-N 0 3 243.347 0.885 20 0 BCADHN CC[C@H]1CN(C)CCN1CCc1cn[nH]n1 ZINC000660644050 411369331 /nfs/dbraw/zinc/36/93/31/411369331.db2.gz GSPMMAXZRYJXJC-NSHDSACASA-N 0 3 223.324 0.373 20 0 BCADHN CC[C@H]1CN(C(=O)CNC2CC2)[C@H](C)CO1 ZINC000403997515 411371419 /nfs/dbraw/zinc/37/14/19/411371419.db2.gz ZMORXWWPBRFKED-KOLCDFICSA-N 0 3 226.320 0.764 20 0 BCADHN COC[C@@H](O)CN1CC(COC)(C2CCC2)C1 ZINC000656706388 411334195 /nfs/dbraw/zinc/33/41/95/411334195.db2.gz OZXUZPPNFJGIJI-LBPRGKRZSA-N 0 3 243.347 0.742 20 0 BCADHN CC[C@@H]1CN(C(=O)CNC2CC2)[C@@H](C)CO1 ZINC000403997511 411371950 /nfs/dbraw/zinc/37/19/50/411371950.db2.gz ZMORXWWPBRFKED-GXSJLCMTSA-N 0 3 226.320 0.764 20 0 BCADHN COCc1csc(CNCCC(N)=O)c1 ZINC000656710153 411336183 /nfs/dbraw/zinc/33/61/83/411336183.db2.gz TXYOHOFWGQHRID-UHFFFAOYSA-N 0 3 228.317 0.860 20 0 BCADHN C[C@H](CNCCc1ccoc1)S(C)(=O)=O ZINC000656713008 411337951 /nfs/dbraw/zinc/33/79/51/411337951.db2.gz GFMHZABWMHODAJ-SECBINFHSA-N 0 3 231.317 0.845 20 0 BCADHN C[C@@H](O)CNCC1(S(C)(=O)=O)CCCCC1 ZINC000656714708 411338334 /nfs/dbraw/zinc/33/83/34/411338334.db2.gz SHQMQNTVIAYJLG-SNVBAGLBSA-N 0 3 249.376 0.704 20 0 BCADHN CC1(C)CN(C[C@@H]2CCC(=O)N2)CC[C@@H]1O ZINC000303797379 411339769 /nfs/dbraw/zinc/33/97/69/411339769.db2.gz KCVIHGJFLLPZBT-UWVGGRQHSA-N 0 3 226.320 0.358 20 0 BCADHN COCCC1CN(C[C@@H](O)Cn2cccn2)C1 ZINC000656703195 411339908 /nfs/dbraw/zinc/33/99/08/411339908.db2.gz OYPLIXSZBAOWIY-GFCCVEGCSA-N 0 3 239.319 0.212 20 0 BCADHN CC(=O)NCc1ccc(CNCCC(N)=O)cc1 ZINC000656703096 411339946 /nfs/dbraw/zinc/33/99/46/411339946.db2.gz 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242.363 0.556 20 0 BCADHN Cn1ncc(C2CC2)c1CNC(=O)CNC1CC1 ZINC000659361690 411377270 /nfs/dbraw/zinc/37/72/70/411377270.db2.gz MDPLEQJBZIHKEX-UHFFFAOYSA-N 0 3 248.330 0.666 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCCc1ccoc1 ZINC000659362316 411377815 /nfs/dbraw/zinc/37/78/15/411377815.db2.gz VLQRMQQNWNTIAP-JTQLQIEISA-N 0 3 222.288 0.936 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCCc1ccoc1 ZINC000659362319 411377931 /nfs/dbraw/zinc/37/79/31/411377931.db2.gz VLQRMQQNWNTIAP-SNVBAGLBSA-N 0 3 222.288 0.936 20 0 BCADHN CC1=C(C)CN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000280205444 168081736 /nfs/dbraw/zinc/08/17/36/168081736.db2.gz JKASWVAHMPDWFO-JTQLQIEISA-N 0 3 245.344 0.988 20 0 BCADHN CCC(CC)(NC(=O)CNC(C)C)C(N)=O ZINC000659253241 411378765 /nfs/dbraw/zinc/37/87/65/411378765.db2.gz PJQWBBAPUKSAQV-UHFFFAOYSA-N 0 3 229.324 0.145 20 0 BCADHN CC1=CCCN(CCN2C(=O)CNC2=O)C1 ZINC000280727797 168097561 /nfs/dbraw/zinc/09/75/61/168097561.db2.gz GKZKGMIXPJTHQB-UHFFFAOYSA-N 0 3 223.276 0.190 20 0 BCADHN CC1=CCCN(C[C@H](O)Cn2cccn2)C1 ZINC000280967687 168100157 /nfs/dbraw/zinc/10/01/57/168100157.db2.gz ZULKTEJDINCMRS-LBPRGKRZSA-N 0 3 221.304 0.896 20 0 BCADHN CC1=CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000333128626 168106311 /nfs/dbraw/zinc/10/63/11/168106311.db2.gz APHQZGYXWHUZQQ-NSHDSACASA-N 0 3 239.319 0.336 20 0 BCADHN CC1=CC[N@H+](CCCOC([O-])=NC(N)=O)CC1 ZINC000271371827 168110404 /nfs/dbraw/zinc/11/04/04/168110404.db2.gz NHPCRMQSUZAMCL-UHFFFAOYSA-N 0 3 241.291 0.833 20 0 BCADHN CC1=CC[N@@H+](CCCOC([O-])=NC(N)=O)CC1 ZINC000271371827 168110406 /nfs/dbraw/zinc/11/04/06/168110406.db2.gz NHPCRMQSUZAMCL-UHFFFAOYSA-N 0 3 241.291 0.833 20 0 BCADHN CC1=CC[N@H+](CCCOC(=O)N=C(N)[O-])CC1 ZINC000271371827 168110408 /nfs/dbraw/zinc/11/04/08/168110408.db2.gz NHPCRMQSUZAMCL-UHFFFAOYSA-N 0 3 241.291 0.833 20 0 BCADHN CC1=CC[N@@H+](CCCOC(=O)N=C(N)[O-])CC1 ZINC000271371827 168110409 /nfs/dbraw/zinc/11/04/09/168110409.db2.gz NHPCRMQSUZAMCL-UHFFFAOYSA-N 0 3 241.291 0.833 20 0 BCADHN CC1=CCN(CCNC(=O)CC(N)=O)CC1 ZINC000330894390 168110616 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20 0 BCADHN CCC(=O)N[C@@H]1CCCN(CCOC)C1 ZINC000357956453 168238013 /nfs/dbraw/zinc/23/80/13/168238013.db2.gz YVNZBELCOWDAOQ-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN C[C@@H](NCC[C@@]1(O)CCOC1)c1cn[nH]c1 ZINC000404213418 411384503 /nfs/dbraw/zinc/38/45/03/411384503.db2.gz YALLQCFQMXHPBA-MWLCHTKSSA-N 0 3 225.292 0.602 20 0 BCADHN C=Cn1cc(CNCC[C@@]2(O)CCOC2)cn1 ZINC000404231933 411385508 /nfs/dbraw/zinc/38/55/08/411385508.db2.gz PQCODHLIFBPCER-GFCCVEGCSA-N 0 3 237.303 0.615 20 0 BCADHN CCC(C)(C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358046363 168266887 /nfs/dbraw/zinc/26/68/87/168266887.db2.gz KVUFRHMKNDEGDM-GFCCVEGCSA-N 0 3 228.336 0.605 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000659369842 411386069 /nfs/dbraw/zinc/38/60/69/411386069.db2.gz PYRBEACXNQWTMI-OPQQBVKSSA-N 0 3 238.331 0.479 20 0 BCADHN COC[C@@H](C)NC(=O)C1(N)CC2(CCC2)C1 ZINC000659279208 411387174 /nfs/dbraw/zinc/38/71/74/411387174.db2.gz XWKYQTXNXNYCSZ-SECBINFHSA-N 0 3 226.320 0.799 20 0 BCADHN CCOC[C@H](O)CN1CCC[C@@H]2COC[C@@H]21 ZINC000657303245 411456861 /nfs/dbraw/zinc/45/68/61/411456861.db2.gz CDUHLKMJZLJNFO-UTUOFQBUSA-N 0 3 229.320 0.495 20 0 BCADHN CC(C)OC[C@H](O)CN1CCC[C@@H]2COC[C@@H]21 ZINC000657304504 411457085 /nfs/dbraw/zinc/45/70/85/411457085.db2.gz LINMTDFCTKCIAK-UPJWGTAASA-N 0 3 243.347 0.883 20 0 BCADHN O=C(CNC[C@H]1CCCO1)NCC1=CCCC1 ZINC000659380100 411395260 /nfs/dbraw/zinc/39/52/60/411395260.db2.gz XBMBLMFLJULSSK-GFCCVEGCSA-N 0 3 238.331 0.982 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cccc(N)c1 ZINC000659332334 411395582 /nfs/dbraw/zinc/39/55/82/411395582.db2.gz FZWQUMAZXKHKKK-QMMMGPOBSA-N 0 3 207.277 0.493 20 0 BCADHN CNCC(=O)NCc1ccc(CNC(C)=O)cc1 ZINC000659333632 411396633 /nfs/dbraw/zinc/39/66/33/411396633.db2.gz VAJQVBMZYSKORK-UHFFFAOYSA-N 0 3 249.314 0.158 20 0 BCADHN NCc1cccc(NC(=O)[C@@H]2COCCO2)c1 ZINC000055296981 411397496 /nfs/dbraw/zinc/39/74/96/411397496.db2.gz IXVRNCALYPROOM-NSHDSACASA-N 0 3 236.271 0.499 20 0 BCADHN CC(C)O[C@H]1CCCN(CCOCCO)C1 ZINC000404518160 411399566 /nfs/dbraw/zinc/39/95/66/411399566.db2.gz HFCPYMORYBRCGZ-LBPRGKRZSA-N 0 3 231.336 0.885 20 0 BCADHN Cc1ccncc1CCNC(=O)CNC1CC1 ZINC000659341590 411400033 /nfs/dbraw/zinc/40/00/33/411400033.db2.gz YEJINICUQYRIBL-UHFFFAOYSA-N 0 3 233.315 0.801 20 0 BCADHN COC[C@@H](O)CN1CCC[C@H](OC(C)C)C1 ZINC000404535973 411400347 /nfs/dbraw/zinc/40/03/47/411400347.db2.gz PIPBJINAHDQWHI-RYUDHWBXSA-N 0 3 231.336 0.883 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)c1cscn1 ZINC000659343868 411400746 /nfs/dbraw/zinc/40/07/46/411400746.db2.gz ZJBUBPJDPQNBDE-BQBZGAKWSA-N 0 3 213.306 0.928 20 0 BCADHN CC(C)(F)CCNC(=O)COC1(C)CNC1 ZINC000659359938 411402119 /nfs/dbraw/zinc/40/21/19/411402119.db2.gz XHBWNZPVMCWZBQ-UHFFFAOYSA-N 0 3 232.299 0.619 20 0 BCADHN CNCC(=O)NCC[C@]1(C)CC1(F)F ZINC000659361847 411402696 /nfs/dbraw/zinc/40/26/96/411402696.db2.gz VHRYRWXDSRBXSB-MRVPVSSYSA-N 0 3 206.236 0.757 20 0 BCADHN C[C@H]1CCC[C@@H](CNC(=O)CNC2CC2)O1 ZINC000659361652 411402961 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ISHOYWLCGJMLOM-LLVKDONJSA-N 0 3 228.336 0.917 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccc(CO)c(F)c1 ZINC000262256800 411407574 /nfs/dbraw/zinc/40/75/74/411407574.db2.gz CVCDOEMTOTYKMS-NSHDSACASA-N 0 3 240.278 0.672 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H]1CCO)N(C)C ZINC000413703482 411408063 /nfs/dbraw/zinc/40/80/63/411408063.db2.gz QFIKJNAZNWGUFA-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@H]1CCO)N(C)C ZINC000413703480 411408455 /nfs/dbraw/zinc/40/84/55/411408455.db2.gz QFIKJNAZNWGUFA-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](OC)C1CCCC1 ZINC000659383809 411408563 /nfs/dbraw/zinc/40/85/63/411408563.db2.gz WASGZQMGNMCVQT-GXSJLCMTSA-N 0 3 228.336 0.916 20 0 BCADHN N[C@@H]1CN(C(=O)COCC2CC2)CC[C@H]1F ZINC000659390218 411408773 /nfs/dbraw/zinc/40/87/73/411408773.db2.gz FGZZYFAPZINTQL-NXEZZACHSA-N 0 3 230.283 0.311 20 0 BCADHN CO[C@H](C)CCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659389377 411409784 /nfs/dbraw/zinc/40/97/84/411409784.db2.gz SIIPLIDLZNCULD-OPRDCNLKSA-N 0 3 232.299 0.699 20 0 BCADHN N[C@@H]1CN(C(=O)c2cncc(F)c2)CC[C@H]1F ZINC000659389420 411410374 /nfs/dbraw/zinc/41/03/74/411410374.db2.gz MIVYMPVHKISASR-NXEZZACHSA-N 0 3 241.241 0.732 20 0 BCADHN Cc1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000186533842 411410502 /nfs/dbraw/zinc/41/05/02/411410502.db2.gz FNQCBVDPPQLNIB-STQMWFEESA-N 0 3 221.300 0.923 20 0 BCADHN CCn1nccc1CN[C@H]1CCC[C@@H]1O ZINC000125963373 411411011 /nfs/dbraw/zinc/41/10/11/411411011.db2.gz PTKPMKANEGIVPQ-QWRGUYRKSA-N 0 3 209.293 0.906 20 0 BCADHN CC(C)COCCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659390229 411411163 /nfs/dbraw/zinc/41/11/63/411411163.db2.gz FTCQSNGGURYDED-GHMZBOCLSA-N 0 3 246.326 0.947 20 0 BCADHN CC[C@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659391086 411411224 /nfs/dbraw/zinc/41/12/24/411411224.db2.gz PCENERWYTVSAES-DJLDLDEBSA-N 0 3 202.273 0.930 20 0 BCADHN N[C@@H]1CN(C(=O)c2ccccn2)CC[C@H]1F ZINC000659390458 411411344 /nfs/dbraw/zinc/41/13/44/411411344.db2.gz DDTNSTYBPKLHFB-RKDXNWHRSA-N 0 3 223.251 0.593 20 0 BCADHN Cc1nc(C)c(C(=O)N2CC[C@@H](F)[C@H](N)C2)o1 ZINC000659390853 411411957 /nfs/dbraw/zinc/41/19/57/411411957.db2.gz JPROZPKGJPTXJF-RKDXNWHRSA-N 0 3 241.266 0.803 20 0 BCADHN N[C@@H]1CN(C(=O)NCC2CC2)CC[C@H]1F ZINC000659429711 411413947 /nfs/dbraw/zinc/41/39/47/411413947.db2.gz AETJNEYCYSJODT-RKDXNWHRSA-N 0 3 215.272 0.477 20 0 BCADHN CC[C@H](N)C(=O)N1CCCC(F)(F)C1 ZINC000405112104 411418091 /nfs/dbraw/zinc/41/80/91/411418091.db2.gz CEMYVVFCFUIIAN-ZETCQYMHSA-N 0 3 206.236 0.981 20 0 BCADHN Cn1nccc1/C=C/C(=O)NC1CCN(C)CC1 ZINC000266944607 411418858 /nfs/dbraw/zinc/41/88/58/411418858.db2.gz RBOQFJZKQVEXBZ-ONEGZZNKSA-N 0 3 248.330 0.644 20 0 BCADHN Cn1cc(CCNCc2cnn3c2CCC3)cn1 ZINC000657318034 411462350 /nfs/dbraw/zinc/46/23/50/411462350.db2.gz KYJTZBVUHDNIED-UHFFFAOYSA-N 0 3 245.330 0.895 20 0 BCADHN C[C@@H]1CN([C@@H]2COC(C)(C)C2)CCN1CCO ZINC000660333834 411420390 /nfs/dbraw/zinc/42/03/90/411420390.db2.gz PZFAOMZPUYYOKB-NEPJUHHUSA-N 0 3 242.363 0.552 20 0 BCADHN N[C@@H]1CN(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)CC[C@H]1F ZINC000659487175 411420447 /nfs/dbraw/zinc/42/04/47/411420447.db2.gz ZCKZAZQFOOTDKV-QGKZMRNZSA-N 0 3 241.310 0.866 20 0 BCADHN O[C@@H]1C[C@H]2CN(C[C@H]3CCCCO3)CCN2C1 ZINC000405214315 411421415 /nfs/dbraw/zinc/42/14/15/411421415.db2.gz JJDRJWFQIOTFCZ-YNEHKIRRSA-N 0 3 240.347 0.306 20 0 BCADHN Cc1cc(CN2CCN3C[C@H](O)C[C@H]3C2)on1 ZINC000405257982 411422518 /nfs/dbraw/zinc/42/25/18/411422518.db2.gz NEJOWPHZVXSWNE-WDEREUQCSA-N 0 3 237.303 0.234 20 0 BCADHN C[C@H](CO)NCc1ccnn1CC1CC1 ZINC000657325060 411464587 /nfs/dbraw/zinc/46/45/87/411464587.db2.gz FYDZMRSPNXIEPS-SECBINFHSA-N 0 3 209.293 0.764 20 0 BCADHN Cc1cccc(CN2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000405307003 411424164 /nfs/dbraw/zinc/42/41/64/411424164.db2.gz MTFBBTFNEWQSKI-UONOGXRCSA-N 0 3 247.342 0.641 20 0 BCADHN Cc1nnccc1C(=O)NC(C)(C)CN(C)C ZINC000654659047 411424488 /nfs/dbraw/zinc/42/44/88/411424488.db2.gz AQEZNOGOMZFMTI-UHFFFAOYSA-N 0 3 236.319 0.855 20 0 BCADHN CC[C@H](CN1CCN2C[C@H](O)C[C@H]2C1)OC ZINC000405313645 411425365 /nfs/dbraw/zinc/42/53/65/411425365.db2.gz OGIWDUPOWIQLRZ-QJPTWQEYSA-N 0 3 228.336 0.162 20 0 BCADHN CN(C)C(=O)CCCN(C)Cc1cn[nH]c1 ZINC000653583688 411425807 /nfs/dbraw/zinc/42/58/07/411425807.db2.gz PVPYJGDFKMMTEZ-UHFFFAOYSA-N 0 3 224.308 0.710 20 0 BCADHN CN1CCC(NC(=O)c2n[nH]c3c2CCC3)CC1 ZINC000126299005 411426997 /nfs/dbraw/zinc/42/69/97/411426997.db2.gz IXOHQNMLHRFCIN-UHFFFAOYSA-N 0 3 248.330 0.722 20 0 BCADHN COCCNCCNC(=O)N[C@]1(C)CC1(C)C ZINC000659527183 411429463 /nfs/dbraw/zinc/42/94/63/411429463.db2.gz JXOZLGDXJYXQIG-GFCCVEGCSA-N 0 3 243.351 0.710 20 0 BCADHN C[C@@H]1CN(C[C@H]2CNC(=O)C2)[C@@H](C)CO1 ZINC000659822746 411462900 /nfs/dbraw/zinc/46/29/00/411462900.db2.gz VLSZUANSLCAFJI-IVZWLZJFSA-N 0 3 212.293 0.232 20 0 BCADHN CNC(=O)CCCN1C[C@H](C)N(C)C[C@H]1C ZINC000653595640 411431539 /nfs/dbraw/zinc/43/15/39/411431539.db2.gz OXQSTFSPIMARGT-WDEREUQCSA-N 0 3 227.352 0.537 20 0 BCADHN O=C(Nc1nncs1)[C@@H]1C[C@H]2C[C@H]2N1 ZINC000306960847 411463192 /nfs/dbraw/zinc/46/31/92/411463192.db2.gz ZRBOBCRQAHYDFM-PBXRRBTRSA-N 0 3 210.262 0.227 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)N1CC[C@@H]2C[C@@H]2C1 ZINC000659552927 411435461 /nfs/dbraw/zinc/43/54/61/411435461.db2.gz GVUIYSHDINUQPY-MXWKQRLJSA-N 0 3 239.319 0.026 20 0 BCADHN CO[C@@H](C)CNC(=O)N1CCCNCC1 ZINC000659569612 411436978 /nfs/dbraw/zinc/43/69/78/411436978.db2.gz LGRNJAAOXKNDCI-VIFPVBQESA-N 0 3 215.297 0.026 20 0 BCADHN CCN1CCN(Cc2cn[nH]c2C)CC1=O ZINC000273552773 411437193 /nfs/dbraw/zinc/43/71/93/411437193.db2.gz ZBTUOWUVOBSONB-UHFFFAOYSA-N 0 3 222.292 0.382 20 0 BCADHN NCc1cccc(NC(=O)[C@@H]2CCC(=O)NC2)c1 ZINC000123029900 411437606 /nfs/dbraw/zinc/43/76/06/411437606.db2.gz ZMMPUNYYQPJELT-SNVBAGLBSA-N 0 3 247.298 0.610 20 0 BCADHN CO[C@@H](C)CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000659568288 411437609 /nfs/dbraw/zinc/43/76/09/411437609.db2.gz GJOKOBITYGALJX-UTLUCORTSA-N 0 3 229.324 0.413 20 0 BCADHN C[C@H]1CCN(CC(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000654737318 411437776 /nfs/dbraw/zinc/43/77/76/411437776.db2.gz OAFPWVSDTGUINI-NWDGAFQWSA-N 0 3 239.363 0.539 20 0 BCADHN CC[C@@](C)(CO)C(=O)NC[C@H]1CCCN(C)C1 ZINC000654760127 411441404 /nfs/dbraw/zinc/44/14/04/411441404.db2.gz LASIXCPZBNFQSW-YPMHNXCESA-N 0 3 242.363 0.853 20 0 BCADHN CC1(C)CCN(CC(=O)N(CCO)C2CC2)C1 ZINC000654910375 411463648 /nfs/dbraw/zinc/46/36/48/411463648.db2.gz UQEIKCRBSUWVSU-UHFFFAOYSA-N 0 3 240.347 0.702 20 0 BCADHN COc1ccc(CNC[C@H]2CCCNC2=O)cn1 ZINC000657284992 411442788 /nfs/dbraw/zinc/44/27/88/411442788.db2.gz YGDOZIHZOIMJOK-LLVKDONJSA-N 0 3 249.314 0.706 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCNC2=O)n1 ZINC000657283907 411443109 /nfs/dbraw/zinc/44/31/09/411443109.db2.gz LANZJXYZBICYRM-JTQLQIEISA-N 0 3 249.314 0.711 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1CCS[C@@H]1C ZINC000306344917 411443850 /nfs/dbraw/zinc/44/38/50/411443850.db2.gz NWRVNNBJGNIZQL-VGMNWLOBSA-N 0 3 216.350 0.980 20 0 BCADHN CC[C@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000637936397 411446845 /nfs/dbraw/zinc/44/68/45/411446845.db2.gz XZPGVXMBLGDHCK-GARJFASQSA-N 0 3 226.320 0.751 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCc1ccc(O)cc1 ZINC000657275801 411447566 /nfs/dbraw/zinc/44/75/66/411447566.db2.gz RQACFEXDTFXTGV-NWDGAFQWSA-N 0 3 223.272 0.896 20 0 BCADHN C[C@H](CN)N(C)C(=O)C(=O)NCC1=CCCC1 ZINC000659738215 411448782 /nfs/dbraw/zinc/44/87/82/411448782.db2.gz BWFJSZRWWNORHU-SECBINFHSA-N 0 3 239.319 0.019 20 0 BCADHN CCOCC[C@H](O)CN1CCC[C@@H]2COC[C@@H]21 ZINC000657293607 411450568 /nfs/dbraw/zinc/45/05/68/411450568.db2.gz HUNSHLDHXADGAP-AGIUHOORSA-N 0 3 243.347 0.885 20 0 BCADHN CC[C@@H]1C[C@H](NCCNC(=O)C(C)C)CO1 ZINC000657290197 411451362 /nfs/dbraw/zinc/45/13/62/411451362.db2.gz ZNAOODXIWMURHO-WDEREUQCSA-N 0 3 228.336 0.916 20 0 BCADHN Cn1ncc(C2CCC2)c1CNCCO ZINC000657292994 411453228 /nfs/dbraw/zinc/45/32/28/411453228.db2.gz HVRPCPFNLORQCO-UHFFFAOYSA-N 0 3 209.293 0.770 20 0 BCADHN CCCNC(=O)CN[C@@H]1CO[C@@H](CC)C1 ZINC000657292804 411453244 /nfs/dbraw/zinc/45/32/44/411453244.db2.gz UANIMXXATDSBKK-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN CCCNC(=O)CN[C@H]1CO[C@H](CC)C1 ZINC000657292803 411453403 /nfs/dbraw/zinc/45/34/03/411453403.db2.gz UANIMXXATDSBKK-NXEZZACHSA-N 0 3 214.309 0.670 20 0 BCADHN CCCNC(=O)CN[C@H]1CO[C@@H](CC)C1 ZINC000657292806 411453603 /nfs/dbraw/zinc/45/36/03/411453603.db2.gz UANIMXXATDSBKK-ZJUUUORDSA-N 0 3 214.309 0.670 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1CO[C@H](CC)C1 ZINC000657292474 411453676 /nfs/dbraw/zinc/45/36/76/411453676.db2.gz KXEKKLOHNNECOS-IVZWLZJFSA-N 0 3 214.309 0.668 20 0 BCADHN COCCOCCCNCc1nc(C)c[nH]1 ZINC000657296340 411454515 /nfs/dbraw/zinc/45/45/15/411454515.db2.gz FDRRULFTEHSZCN-UHFFFAOYSA-N 0 3 227.308 0.861 20 0 BCADHN CO[C@@H](CN1CCN(C)CC1)[C@@H]1CCOC1 ZINC000659832557 411467517 /nfs/dbraw/zinc/46/75/17/411467517.db2.gz VNIDQNRPYWXBLI-NEPJUHHUSA-N 0 3 228.336 0.285 20 0 BCADHN Cc1c[nH]c(CNCCc2cn(C)cn2)n1 ZINC000657489172 411532620 /nfs/dbraw/zinc/53/26/20/411532620.db2.gz NOWYDIJRWFBVQJ-UHFFFAOYSA-N 0 3 219.292 0.784 20 0 BCADHN CNC(=O)CCNCc1cnn2c1CCC2 ZINC000657331066 411468822 /nfs/dbraw/zinc/46/88/22/411468822.db2.gz MSJOFPJXEHFBCO-UHFFFAOYSA-N 0 3 222.292 0.055 20 0 BCADHN C[C@H](Cn1cncn1)NCc1cnn2c1CCC2 ZINC000657336585 411472287 /nfs/dbraw/zinc/47/22/87/411472287.db2.gz VAAVUZDFDRWZNU-SNVBAGLBSA-N 0 3 246.318 0.599 20 0 BCADHN C[C@@H](CNC(=O)c1cc(C=O)c[nH]1)N(C)C ZINC000293983068 411472667 /nfs/dbraw/zinc/47/26/67/411472667.db2.gz IKYXLOMZVLIILY-QMMMGPOBSA-N 0 3 223.276 0.507 20 0 BCADHN CN(C)C(=O)CCNCc1cnc2n1CCC2 ZINC000657339177 411472909 /nfs/dbraw/zinc/47/29/09/411472909.db2.gz NRJWOMCYMUABJA-UHFFFAOYSA-N 0 3 236.319 0.397 20 0 BCADHN Cc1cc(=NC(=O)[C@H]2CC[C@H](C3CC3)N2)[nH]n1C ZINC000407285146 411477136 /nfs/dbraw/zinc/47/71/36/411477136.db2.gz FXXAPPCZFIXEQK-GHMZBOCLSA-N 0 3 248.330 0.620 20 0 BCADHN CC[C@@H]1C[C@H](N[C@H](C)CS(=O)(=O)CC)CO1 ZINC000657360253 411477504 /nfs/dbraw/zinc/47/75/04/411477504.db2.gz AGFRSXDKKURSJA-OUAUKWLOSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H]1CN(C[C@H]2CNC(=O)C2)CC(C)(C)O1 ZINC000659856016 411478722 /nfs/dbraw/zinc/47/87/22/411478722.db2.gz QTPFCMYZHFPSAK-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1ncc(CNC[C@@H](O)C2CC2)n1C ZINC000657366731 411478850 /nfs/dbraw/zinc/47/88/50/411478850.db2.gz LDDBGLHWWDYVRZ-LLVKDONJSA-N 0 3 209.293 0.589 20 0 BCADHN CC[C@@H]1C[C@H](NC[C@H]2CN(C)CCN2C)CO1 ZINC000657357407 411479030 /nfs/dbraw/zinc/47/90/30/411479030.db2.gz NRFNKXFOQMEPNF-RWMBFGLXSA-N 0 3 241.379 0.389 20 0 BCADHN CN(CCCCO)C(=O)CN1CCC(C)(C)C1 ZINC000655022133 411479096 /nfs/dbraw/zinc/47/90/96/411479096.db2.gz OOINMDXFIVTQPC-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN CCc1cc(=NC(=O)[C@H]2CC[C@@H](C3CC3)N2)[nH][nH]1 ZINC000407318080 411479178 /nfs/dbraw/zinc/47/91/78/411479178.db2.gz USAGTPMGPZDJSI-WDEREUQCSA-N 0 3 248.330 0.863 20 0 BCADHN CCc1cc(=NC(=O)[C@@H]2CC[C@H](C3CC3)N2)[nH][nH]1 ZINC000407318077 411479326 /nfs/dbraw/zinc/47/93/26/411479326.db2.gz USAGTPMGPZDJSI-MNOVXSKESA-N 0 3 248.330 0.863 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N(C)Cc2cn[nH]c2)C1 ZINC000127251018 411479647 /nfs/dbraw/zinc/47/96/47/411479647.db2.gz HXZCJUBYDXGRFI-KOLCDFICSA-N 0 3 236.319 0.756 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2N[C@H]1C[C@@H](O)C1 ZINC000295995899 411479779 /nfs/dbraw/zinc/47/97/79/411479779.db2.gz PYJOFTUOCPUITQ-NGZCFLSTSA-N 0 3 221.304 0.910 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)N(C)Cc2cn[nH]c2)C1 ZINC000127251753 411479866 /nfs/dbraw/zinc/47/98/66/411479866.db2.gz HXZCJUBYDXGRFI-GXSJLCMTSA-N 0 3 236.319 0.756 20 0 BCADHN OC[C@H]1CCCN1CCO[C@@H]1CC1(F)F ZINC000659857801 411480344 /nfs/dbraw/zinc/48/03/44/411480344.db2.gz RKKMALZXGJPNBB-RKDXNWHRSA-N 0 3 221.247 0.867 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H]2CCCS(=O)(=O)C2)CO1 ZINC000657368246 411480715 /nfs/dbraw/zinc/48/07/15/411480715.db2.gz ZGSIVXUJICGYAS-GMTAPVOTSA-N 0 3 247.360 0.721 20 0 BCADHN O=C1NCCC[C@@H]1CNCc1cn[nH]c1 ZINC000657490564 411533311 /nfs/dbraw/zinc/53/33/11/411533311.db2.gz NUNYOCSXTJCKKP-SECBINFHSA-N 0 3 208.265 0.026 20 0 BCADHN Cc1c[nH]c(CN[C@H]2CCC[C@@H](C(N)=O)C2)n1 ZINC000657370347 411483695 /nfs/dbraw/zinc/48/36/95/411483695.db2.gz FPZVWRGPTLXCNB-ZJUUUORDSA-N 0 3 236.319 0.852 20 0 BCADHN CCc1cc(N2C[C@@H](O)[C@@H](O)C2)ccn1 ZINC000307791663 411483995 /nfs/dbraw/zinc/48/39/95/411483995.db2.gz UMILAQRWRZLNJK-PHIMTYICSA-N 0 3 208.261 0.186 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCc1cnn2c1CCC2 ZINC000657371785 411484939 /nfs/dbraw/zinc/48/49/39/411484939.db2.gz MYONXPXHSAIDOQ-VHSXEESVSA-N 0 3 223.320 0.936 20 0 BCADHN C[C@@H](C(=O)N1CCN(C)C(C)(C)C1)N(C)C ZINC000655051812 411486637 /nfs/dbraw/zinc/48/66/37/411486637.db2.gz QFNHNIZXDOXVOV-JTQLQIEISA-N 0 3 227.352 0.489 20 0 BCADHN COC[C@@H](CN1CCCO[C@@H](C)C1)OC ZINC000659875800 411487363 /nfs/dbraw/zinc/48/73/63/411487363.db2.gz ZQUFITDWAPYOHC-WDEREUQCSA-N 0 3 217.309 0.759 20 0 BCADHN CN(CCN1CCOCC1)[C@@H]1COC(C)(C)C1 ZINC000659876682 411487417 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CC[C@H]1CCN(CCN2C(=O)CN(C)C2=O)C1 ZINC000659995233 411522552 /nfs/dbraw/zinc/52/25/52/411522552.db2.gz AIOVJPDZBAVIOB-JTQLQIEISA-N 0 3 239.319 0.612 20 0 BCADHN CO[C@@](C)(CO)CNCc1cnc(C)nc1 ZINC000655809011 411522869 /nfs/dbraw/zinc/52/28/69/411522869.db2.gz OHLKBUNAJDGJSN-LLVKDONJSA-N 0 3 225.292 0.272 20 0 BCADHN CO[C@](C)(CO)CNCc1ccncc1 ZINC000655809095 411522874 /nfs/dbraw/zinc/52/28/74/411522874.db2.gz QHDFVZWRJNIDSV-NSHDSACASA-N 0 3 210.277 0.569 20 0 BCADHN O=C1C[C@H](CN2CCOC3(CCCC3)C2)CN1 ZINC000660009785 411528175 /nfs/dbraw/zinc/52/81/75/411528175.db2.gz AMNXKMREHKAWCX-NSHDSACASA-N 0 3 238.331 0.768 20 0 BCADHN O[C@H]1C[C@@H](NCc2cnn3c2CCC3)C1 ZINC000657484475 411528788 /nfs/dbraw/zinc/52/87/88/411528788.db2.gz LGXASXCIUGUKCK-AOOOYVTPSA-N 0 3 207.277 0.442 20 0 BCADHN OC[C@H](NCc1cn[nH]c1)[C@H]1CCCOC1 ZINC000657495310 411535224 /nfs/dbraw/zinc/53/52/24/411535224.db2.gz KGHRVTZRSSRZHV-QWRGUYRKSA-N 0 3 225.292 0.287 20 0 BCADHN C[C@H](N[C@@H]1CCc2c(nnn2C)C1)c1cn[nH]c1 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/nfs/dbraw/zinc/37/02/96/170370296.db2.gz CDNHUFBMYONCSY-UHFFFAOYSA-N 0 3 231.340 0.616 20 0 BCADHN CCOCCCN1CCC[C@@H]1C(N)=O ZINC000119060276 170373524 /nfs/dbraw/zinc/37/35/24/170373524.db2.gz FOIQRNIHPMPUES-SECBINFHSA-N 0 3 200.282 0.363 20 0 BCADHN CCOCCCN1CCC[C@@H]2C(=O)NC[C@@H]21 ZINC000337211197 170374068 /nfs/dbraw/zinc/37/40/68/170374068.db2.gz DJVUXLITCPLYAN-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN COCC1=CCN(C[C@H](COC)OC)CC1 ZINC000660319012 411568989 /nfs/dbraw/zinc/56/89/89/411568989.db2.gz PAWJFGCOHRBZKT-GFCCVEGCSA-N 0 3 229.320 0.926 20 0 BCADHN CCOCCCNC(=O)[C@H](C)NC1CC1 ZINC000336771957 170378815 /nfs/dbraw/zinc/37/88/15/170378815.db2.gz XFYCTRHYVDTFSM-VIFPVBQESA-N 0 3 214.309 0.670 20 0 BCADHN CCOCCCN[C@H](C)c1ccc(=O)[nH]n1 ZINC000309461591 170382090 /nfs/dbraw/zinc/38/20/90/170382090.db2.gz OAZURRAPKXAHCG-SECBINFHSA-N 0 3 225.292 0.847 20 0 BCADHN CCOCCCN[C@@H](CO)c1cnn(C)c1 ZINC000336781978 170382398 /nfs/dbraw/zinc/38/23/98/170382398.db2.gz 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20 0 BCADHN CO[C@H](CN[C@@H]1COC[C@@H]1OC)[C@@H]1CCOC1 ZINC000660779792 411628529 /nfs/dbraw/zinc/62/85/29/411628529.db2.gz JRHZSPXRFAVQKX-KKOKHZNYSA-N 0 3 245.319 0.041 20 0 BCADHN CC[C@@H]1OCC[C@H]1N[C@@H]1CCN(CC)C1=O ZINC000660782377 411628593 /nfs/dbraw/zinc/62/85/93/411628593.db2.gz BGJTXJDNDJARJU-MXWKQRLJSA-N 0 3 226.320 0.764 20 0 BCADHN COC[C@@H](CN1C[C@@H]2C[C@H]1CS2)OC ZINC000660779671 411629215 /nfs/dbraw/zinc/62/92/15/411629215.db2.gz GSVIBXJVOOFIEN-AEJSXWLSSA-N 0 3 217.334 0.838 20 0 BCADHN Cn1cc(CNCCOCCF)cn1 ZINC000663339966 411630105 /nfs/dbraw/zinc/63/01/05/411630105.db2.gz GEFZDHCTNLCFHA-UHFFFAOYSA-N 0 3 201.245 0.496 20 0 BCADHN CCN1CCCN(CC(=O)N(C)C)[C@@H](C)C1 ZINC000660788185 411634052 /nfs/dbraw/zinc/63/40/52/411634052.db2.gz WSNVOCSYYSNFLZ-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN CCN1CCN(CCNc2ncncc2C)CC1 ZINC000641284640 411635835 /nfs/dbraw/zinc/63/58/35/411635835.db2.gz NHQIOZDHGHZVCW-UHFFFAOYSA-N 0 3 249.362 0.834 20 0 BCADHN CN(C)C(=O)C1(NCCc2cccnc2)CC1 ZINC000660801969 411637184 /nfs/dbraw/zinc/63/71/84/411637184.db2.gz WIAZQEZNAPOSQN-UHFFFAOYSA-N 0 3 233.315 0.835 20 0 BCADHN CCCN1CC[C@@H](NC[C@H](C)S(C)(=O)=O)C1 ZINC000663364520 411637191 /nfs/dbraw/zinc/63/71/91/411637191.db2.gz JAWWMQGAJBGQIB-WDEREUQCSA-N 0 3 248.392 0.493 20 0 BCADHN Cc1nocc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000660805502 411639932 /nfs/dbraw/zinc/63/99/32/411639932.db2.gz NWSWSMPYDSRZGC-JQWIXIFHSA-N 0 3 240.303 0.860 20 0 BCADHN COC[C@H](O)CN[C@@H](c1ccccc1)[C@@H](C)O ZINC000663376773 411640394 /nfs/dbraw/zinc/64/03/94/411640394.db2.gz VDAUQHKGSBIUMC-RAIGVLPGSA-N 0 3 239.315 0.705 20 0 BCADHN COC[C@@H](O)CN[C@H](c1ccccc1)[C@@H](C)O ZINC000663376777 411641115 /nfs/dbraw/zinc/64/11/15/411641115.db2.gz VDAUQHKGSBIUMC-WXHSDQCUSA-N 0 3 239.315 0.705 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NCCOCC)C1 ZINC000660383836 411576873 /nfs/dbraw/zinc/57/68/73/411576873.db2.gz CSTGKYWHPAAKCT-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN C[C@@H]1C[C@H](N2C[C@H](C)O[C@H](CO)C2)CCO1 ZINC000660389060 411577204 /nfs/dbraw/zinc/57/72/04/411577204.db2.gz PICXGWDPBROFMM-KXNHARMFSA-N 0 3 229.320 0.636 20 0 BCADHN Nc1cccc(CN2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000660396520 411579136 /nfs/dbraw/zinc/57/91/36/411579136.db2.gz QTBZVCZZERTUCA-YPMHNXCESA-N 0 3 236.315 0.444 20 0 BCADHN Nc1cccc(CN2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000660396519 411579386 /nfs/dbraw/zinc/57/93/86/411579386.db2.gz QTBZVCZZERTUCA-WCQYABFASA-N 0 3 236.315 0.444 20 0 BCADHN O=C1C[C@H](CN2CCc3cc[nH]c(=O)c3C2)CN1 ZINC000660411288 411581158 /nfs/dbraw/zinc/58/11/58/411581158.db2.gz MYGSWYKHSRRZBS-VIFPVBQESA-N 0 3 247.298 0.281 20 0 BCADHN OC[C@@H](CNCc1cc[nH]n1)CC1CC1 ZINC000657701299 411582384 /nfs/dbraw/zinc/58/23/84/411582384.db2.gz XEUDIIZRIGOFDZ-SNVBAGLBSA-N 0 3 209.293 0.908 20 0 BCADHN O=C1C[C@@H](CN2CCC[C@H]2c2cc[nH]n2)CN1 ZINC000660428522 411583953 /nfs/dbraw/zinc/58/39/53/411583953.db2.gz DVXFZZVIHOARHD-KOLCDFICSA-N 0 3 234.303 0.683 20 0 BCADHN Cn1nncc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000657704790 411584079 /nfs/dbraw/zinc/58/40/79/411584079.db2.gz IKXSCEBMGINWBI-UWVGGRQHSA-N 0 3 222.292 0.208 20 0 BCADHN O=C1[N-]C(=O)[C@]2(CCC[N@H+](CC3CC=CC3)C2)N1 ZINC000660441059 411584993 /nfs/dbraw/zinc/58/49/93/411584993.db2.gz PUNGOYYXZQJAPJ-CYBMUJFWSA-N 0 3 249.314 0.627 20 0 BCADHN O=C1[N-]C(=O)[C@]2(CCC[N@@H+](CC3CC=CC3)C2)N1 ZINC000660441059 411584995 /nfs/dbraw/zinc/58/49/95/411584995.db2.gz PUNGOYYXZQJAPJ-CYBMUJFWSA-N 0 3 249.314 0.627 20 0 BCADHN O=C1CC[C@@H](CNCc2cnc3ccccn23)N1 ZINC000657711243 411585986 /nfs/dbraw/zinc/58/59/86/411585986.db2.gz ABPNKSVBGYZTEF-JTQLQIEISA-N 0 3 244.298 0.703 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CNC(=O)C2)C[C@H](C2CC2)O1 ZINC000660446118 411586261 /nfs/dbraw/zinc/58/62/61/411586261.db2.gz PFEUEMYBCYTXSJ-JFGNBEQYSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@@H]1CN(C[C@H]2CNC(=O)C2)C[C@H](C2CC2)O1 ZINC000660446116 411586306 /nfs/dbraw/zinc/58/63/06/411586306.db2.gz PFEUEMYBCYTXSJ-CKYFFXLPSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1NCc1ncccn1 ZINC000657734481 411589593 /nfs/dbraw/zinc/58/95/93/411589593.db2.gz BYKJFCXOABZKST-NXEZZACHSA-N 0 3 206.293 0.516 20 0 BCADHN CCOC[C@H](C)NCC(=O)NC(C)(C)C ZINC000044724184 170445084 /nfs/dbraw/zinc/44/50/84/170445084.db2.gz BUSOTHFDDPXBJU-VIFPVBQESA-N 0 3 216.325 0.916 20 0 BCADHN CCS(=O)(=O)C1(CN[C@@H](C)COC)CC1 ZINC000657759424 411590982 /nfs/dbraw/zinc/59/09/82/411590982.db2.gz RHWDGFCUJWPOON-VIFPVBQESA-N 0 3 235.349 0.578 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCCO[C@H]1CC1(F)F ZINC000660477585 411591167 /nfs/dbraw/zinc/59/11/67/411591167.db2.gz KMUNPRGDFCBIPX-VGMNWLOBSA-N 0 3 248.273 0.525 20 0 BCADHN CN(CCCO)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000660479272 411591509 /nfs/dbraw/zinc/59/15/09/411591509.db2.gz ZCBKFYYOMRVIKC-QJPTWQEYSA-N 0 3 240.347 0.748 20 0 BCADHN CO[C@@H](CN(C)CCOCCO)C1CCC1 ZINC000660484587 411591985 /nfs/dbraw/zinc/59/19/85/411591985.db2.gz GBXWSQJCUKTOOI-LBPRGKRZSA-N 0 3 231.336 0.742 20 0 BCADHN CCN1CC[C@H](N(C)CCCCOC)C1=O ZINC000660826735 411645829 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/nfs/dbraw/zinc/61/19/10/411611910.db2.gz PEKNQGHWFXWAPI-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN COC[C@@H](CN1C[C@@H](C)N(C)[C@@H](C)C1)OC ZINC000660653458 411613128 /nfs/dbraw/zinc/61/31/28/411613128.db2.gz FDWKXLMNYXLFJO-GRYCIOLGSA-N 0 3 230.352 0.672 20 0 BCADHN CCN1CC[C@H](N[C@@H]2CCOC2(C)C)C1=O ZINC000660668352 411615602 /nfs/dbraw/zinc/61/56/02/411615602.db2.gz FFOWXINJCRBAJB-VHSXEESVSA-N 0 3 226.320 0.764 20 0 BCADHN CCN1CC[C@@H](N2CC[C@@](C)(COC)C2)C1=O ZINC000660668794 411616198 /nfs/dbraw/zinc/61/61/98/411616198.db2.gz KHPWAZWKPYALMT-DGCLKSJQSA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@H](CN1CCOC[C@H](O)C1)C1CCCC1 ZINC000660669781 411616615 /nfs/dbraw/zinc/61/66/15/411616615.db2.gz QQIKFFPEPMJXCS-CHWSQXEVSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1CCc1cn[nH]n1 ZINC000660692999 411617926 /nfs/dbraw/zinc/61/79/26/411617926.db2.gz VHQDYFIHHSMFMC-PSASIEDQSA-N 0 3 210.281 0.192 20 0 BCADHN CCN1CC[C@H](N[C@@H]2CCC[C@H]2OC)C1=O ZINC000660722954 411619259 /nfs/dbraw/zinc/61/92/59/411619259.db2.gz QXFYHKAXHAARFF-OUAUKWLOSA-N 0 3 226.320 0.764 20 0 BCADHN COC[C@H]1CCCCN1CCc1cn[nH]n1 ZINC000660755081 411621106 /nfs/dbraw/zinc/62/11/06/411621106.db2.gz IMPSVYCBAMMWMS-LLVKDONJSA-N 0 3 224.308 0.848 20 0 BCADHN C[C@]1([N-]S(=O)(=O)c2ccco2)CC[NH2+]C1 ZINC000663313109 411621484 /nfs/dbraw/zinc/62/14/84/411621484.db2.gz RLMLWWDJMWPKIF-VIFPVBQESA-N 0 3 230.289 0.310 20 0 BCADHN Cc1nsc(NC(=O)C[C@@H]2CNCCO2)n1 ZINC000131796893 411621549 /nfs/dbraw/zinc/62/15/49/411621549.db2.gz CCLVWAAOIFHNJY-SSDOTTSWSA-N 0 3 242.304 0.164 20 0 BCADHN CC(C)[C@H](O)CN1CCN(CCO)C[C@H]1C ZINC000660759038 411621671 /nfs/dbraw/zinc/62/16/71/411621671.db2.gz DEVYYLOIKXEVQD-VXGBXAGGSA-N 0 3 230.352 0.002 20 0 BCADHN CC(C)[C@@H](O)CN1CCN(CCO)C[C@@H]1C ZINC000660759037 411621786 /nfs/dbraw/zinc/62/17/86/411621786.db2.gz DEVYYLOIKXEVQD-RYUDHWBXSA-N 0 3 230.352 0.002 20 0 BCADHN CC(C)[C@@H](O)CN1CCN(CCO)C[C@H]1C ZINC000660759034 411622249 /nfs/dbraw/zinc/62/22/49/411622249.db2.gz DEVYYLOIKXEVQD-NEPJUHHUSA-N 0 3 230.352 0.002 20 0 BCADHN CC[C@H](C)N(CC)CC(=O)N1CCNC1=O ZINC000661105128 411709171 /nfs/dbraw/zinc/70/91/71/411709171.db2.gz FPBDNGZOVUAZCO-VIFPVBQESA-N 0 3 227.308 0.659 20 0 BCADHN CC1(C)CN(C[C@@H]2CNCCO2)CCS1 ZINC000133318336 411709901 /nfs/dbraw/zinc/70/99/01/411709901.db2.gz JIQCSVFPFRJLCD-JTQLQIEISA-N 0 3 230.377 0.802 20 0 BCADHN CCN1CCN(CCNc2ccc(C)nn2)CC1 ZINC000663395766 411647967 /nfs/dbraw/zinc/64/79/67/411647967.db2.gz FMYJRPDLHGFOKN-UHFFFAOYSA-N 0 3 249.362 0.834 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1nn(C)cc1C ZINC000638432971 411649895 /nfs/dbraw/zinc/64/98/95/411649895.db2.gz OPLGDPQIZIOIRT-QMMMGPOBSA-N 0 3 210.281 0.665 20 0 BCADHN CCO[C@H]1COCC[C@H]1NCc1cncn1C ZINC000353163257 170506181 /nfs/dbraw/zinc/50/61/81/170506181.db2.gz HJRYZPZADBZMCS-NEPJUHHUSA-N 0 3 239.319 0.704 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1ccn(CC)n1 ZINC000638406739 411650797 /nfs/dbraw/zinc/65/07/97/411650797.db2.gz 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0.414 20 0 BCADHN CC(=O)NCCN(C)[C@@H]1COC(C)(C)C1 ZINC000660905558 411667717 /nfs/dbraw/zinc/66/77/17/411667717.db2.gz YHJXJURSBQIXAQ-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN Cc1occc1C(=O)N1CCOC2(CNC2)C1 ZINC000663485132 411669019 /nfs/dbraw/zinc/66/90/19/411669019.db2.gz ZJPNKCAJTMMDQR-UHFFFAOYSA-N 0 3 236.271 0.402 20 0 BCADHN O=C(c1ccco1)N1CCOC2(CNC2)C1 ZINC000663483515 411669522 /nfs/dbraw/zinc/66/95/22/411669522.db2.gz MJUHUQLWRXEZSZ-UHFFFAOYSA-N 0 3 222.244 0.094 20 0 BCADHN O=C(N1CCOC2(CNC2)C1)[C@@]12C[C@@H]1CCC2 ZINC000663492405 411670814 /nfs/dbraw/zinc/67/08/14/411670814.db2.gz SORYFUWSNUVDBG-GWCFXTLKSA-N 0 3 236.315 0.377 20 0 BCADHN C[C@H](C(=O)N1CCOC2(CNC2)C1)C(C)(C)C ZINC000663488454 411671301 /nfs/dbraw/zinc/67/13/01/411671301.db2.gz UZEBIXIRJLYURR-SNVBAGLBSA-N 0 3 240.347 0.869 20 0 BCADHN O=C(CCC1CC1)N1CCOC2(CNC2)C1 ZINC000663488433 411671382 /nfs/dbraw/zinc/67/13/82/411671382.db2.gz UOKMAJMPUYNBOL-UHFFFAOYSA-N 0 3 224.304 0.377 20 0 BCADHN C[C@H](CCO)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000660918347 411672992 /nfs/dbraw/zinc/67/29/92/411672992.db2.gz DBSQDEUPESACFQ-UPJWGTAASA-N 0 3 244.379 0.798 20 0 BCADHN CC[C@@H](C)[C@@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000663493838 411673759 /nfs/dbraw/zinc/67/37/59/411673759.db2.gz LGBXCBXTKNVWBX-GHMZBOCLSA-N 0 3 240.347 0.869 20 0 BCADHN NC(=O)[C@@]1(NCCCC2CCC2)CCOC1 ZINC000660926387 411677288 /nfs/dbraw/zinc/67/72/88/411677288.db2.gz LZVMZMXCTKFVTG-GFCCVEGCSA-N 0 3 226.320 0.801 20 0 BCADHN C[C@@H]1CN(C[C@H]2CNCCO2)C[C@H](C)O1 ZINC000133256293 411683678 /nfs/dbraw/zinc/68/36/78/411683678.db2.gz DSNFTYXFSBURSD-OUAUKWLOSA-N 0 3 214.309 0.084 20 0 BCADHN C[C@@H]1CN(CCN2CCC[C@@H]2CO)C[C@H](C)O1 ZINC000314406907 411688626 /nfs/dbraw/zinc/68/86/26/411688626.db2.gz SFIMEEHSVYZACV-FRRDWIJNSA-N 0 3 242.363 0.552 20 0 BCADHN OCCN1CCCC[C@H]1CNc1cccnn1 ZINC000576432274 411688715 /nfs/dbraw/zinc/68/87/15/411688715.db2.gz RNAWGGZBIPCZRW-NSHDSACASA-N 0 3 236.319 0.735 20 0 BCADHN CCn1ccnc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000663506727 411690542 /nfs/dbraw/zinc/69/05/42/411690542.db2.gz OHUKDLQQLSFTLD-NXEZZACHSA-N 0 3 226.299 0.774 20 0 BCADHN COCC(C)(C)CN1CCOC2(CNC2)C1 ZINC000663511864 411691493 /nfs/dbraw/zinc/69/14/93/411691493.db2.gz XFNDQETWAYJLMH-UHFFFAOYSA-N 0 3 228.336 0.333 20 0 BCADHN O[C@@H]1CCN(CCNc2ccnc(C3CC3)n2)C1 ZINC000624678853 411695486 /nfs/dbraw/zinc/69/54/86/411695486.db2.gz RWSKMTGGXQDSQR-LLVKDONJSA-N 0 3 248.330 0.833 20 0 BCADHN Fc1ccc(CN2CCOC3(CNC3)C2)cc1 ZINC000663514342 411695793 /nfs/dbraw/zinc/69/57/93/411695793.db2.gz UYAVSUNEZLXAMH-UHFFFAOYSA-N 0 3 236.290 1.000 20 0 BCADHN CN(C)C(=O)CCCN(C)Cc1cnc[nH]1 ZINC000661090838 411703258 /nfs/dbraw/zinc/70/32/58/411703258.db2.gz SYWKTAXBHXJJJC-UHFFFAOYSA-N 0 3 224.308 0.710 20 0 BCADHN CC[C@@H](C(N)=O)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661200648 411732441 /nfs/dbraw/zinc/73/24/41/411732441.db2.gz GXSZZKDCJMSIBZ-VLEAKVRGSA-N 0 3 226.320 0.343 20 0 BCADHN O=C(CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1)N1CCC1 ZINC000661200927 411732910 /nfs/dbraw/zinc/73/29/10/411732910.db2.gz QZZXXVWQPRFANY-GRYCIOLGSA-N 0 3 238.331 0.312 20 0 BCADHN CCNc1nccnc1N1CC(N(C)C)C1 ZINC000663754142 411738681 /nfs/dbraw/zinc/73/86/81/411738681.db2.gz DMEBFLSPXMZQAL-UHFFFAOYSA-N 0 3 221.308 0.659 20 0 BCADHN Cc1cncnc1NC[C@H]1CSCCN1 ZINC000641686944 411742769 /nfs/dbraw/zinc/74/27/69/411742769.db2.gz FFCMHYSEGFIGMC-VIFPVBQESA-N 0 3 224.333 0.902 20 0 BCADHN Cc1ccc(NC[C@@]2(O)CCN(C)C2)nn1 ZINC000663804103 411750263 /nfs/dbraw/zinc/75/02/63/411750263.db2.gz XDIARIKASQVZED-NSHDSACASA-N 0 3 222.292 0.264 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000390421601 411750757 /nfs/dbraw/zinc/75/07/57/411750757.db2.gz JZMZWSGJZWKWPI-ZETCQYMHSA-N 0 3 208.265 0.963 20 0 BCADHN CCc1[nH]nc(NC(=O)[C@H](N)C2CCC2)c1C ZINC000574635067 411756106 /nfs/dbraw/zinc/75/61/06/411756106.db2.gz KECMNEIDFOGBKO-SNVBAGLBSA-N 0 3 236.319 1.346 20 0 BCADHN CCc1[nH]nc(NC(=O)[C@@H]2CCN(C)C2)c1C ZINC000573219384 411757180 /nfs/dbraw/zinc/75/71/80/411757180.db2.gz AZHIGEFXFFIMNA-SECBINFHSA-N 0 3 236.319 1.171 20 0 BCADHN Cc1[nH]ncc1CN(C)CC(=O)Nc1ccon1 ZINC000639968861 411757816 /nfs/dbraw/zinc/75/78/16/411757816.db2.gz VCVOFZVPOPHANP-UHFFFAOYSA-N 0 3 249.274 0.777 20 0 BCADHN CCc1[nH]nc(NC(=O)[C@H](C)NC)c1C ZINC000574100631 411757939 /nfs/dbraw/zinc/75/79/39/411757939.db2.gz VKKCFYLFQJZHKG-ZETCQYMHSA-N 0 3 210.281 0.827 20 0 BCADHN CN(C)C[C@@H](CO)Nc1nc(C2CC2)ns1 ZINC000663910741 411771520 /nfs/dbraw/zinc/77/15/20/411771520.db2.gz MXMPYINCXKASSU-QMMMGPOBSA-N 0 3 242.348 0.750 20 0 BCADHN CN1CCC[C@@H]1CN1CC[C@@H](O)C(F)(F)C1 ZINC000661415115 411772192 /nfs/dbraw/zinc/77/21/92/411772192.db2.gz WQCFNILSIYVDCB-NXEZZACHSA-N 0 3 234.290 0.783 20 0 BCADHN COc1nc(C)cc(N[C@@H](CO)CN(C)C)n1 ZINC000663911102 411773223 /nfs/dbraw/zinc/77/32/23/411773223.db2.gz XMDGIUFMQCXOGE-SECBINFHSA-N 0 3 240.307 0.128 20 0 BCADHN C[C@@H](CO)[C@@H]1CCCCN1CC(=O)NC1CC1 ZINC000661430958 411773686 /nfs/dbraw/zinc/77/36/86/411773686.db2.gz AJJPTSUTFSBBKQ-JQWIXIFHSA-N 0 3 240.347 0.748 20 0 BCADHN CNC(=O)CN1CCCC[C@H]1[C@@H](C)CO ZINC000661436856 411776449 /nfs/dbraw/zinc/77/64/49/411776449.db2.gz XJCZCHBCAKICNH-UWVGGRQHSA-N 0 3 214.309 0.215 20 0 BCADHN Cc1nc2ccc(NCC3(N(C)C)CC3)nn2n1 ZINC000581657332 411780786 /nfs/dbraw/zinc/78/07/86/411780786.db2.gz SYGWBOAZARPDSF-UHFFFAOYSA-N 0 3 246.318 0.939 20 0 BCADHN Cc1nccc(N[C@H](C)C2N=NC(=O)N2C)n1 ZINC000631336160 411786042 /nfs/dbraw/zinc/78/60/42/411786042.db2.gz NOTABDNFWWAYIW-ZCFIWIBFSA-N 0 3 234.263 0.792 20 0 BCADHN Cc1nccnc1NCC1(N(C)C)CC1 ZINC000397909416 411790499 /nfs/dbraw/zinc/79/04/99/411790499.db2.gz ZCEIOBQZMAYPPE-UHFFFAOYSA-N 0 3 206.293 1.291 20 0 BCADHN O=C(CN[C@@H](CO)C1CCC1)NCC1CC1 ZINC000661151138 411721123 /nfs/dbraw/zinc/72/11/23/411721123.db2.gz CTWGMZLNMJZKIP-NSHDSACASA-N 0 3 226.320 0.263 20 0 BCADHN CC[C@@H](C(=O)NCCC(C)(C)O)N(C)C ZINC000332521254 170663650 /nfs/dbraw/zinc/66/36/50/170663650.db2.gz RQQWZRZDGUNWAG-VIFPVBQESA-N 0 3 216.325 0.604 20 0 BCADHN CCN(CC)C(=O)CN[C@H](CO)C1CCC1 ZINC000661159629 411723671 /nfs/dbraw/zinc/72/36/71/411723671.db2.gz WHEAGIXOIHTRIO-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CNC(=O)CCN1CCO[C@@](C)(C2CC2)C1 ZINC000661166180 411726307 /nfs/dbraw/zinc/72/63/07/411726307.db2.gz BRZKSZBMHRJBNP-GFCCVEGCSA-N 0 3 226.320 0.623 20 0 BCADHN CN1CCC[C@H](N[C@@H]2CCO[C@H]2C2CC2)C1=O ZINC000683143508 487620695 /nfs/dbraw/zinc/62/06/95/487620695.db2.gz LKSPAOHDJIEAAZ-WOPDTQHZSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H](CNC(=O)NC/C=C/CO)N(C)C1CC1 ZINC000663997989 411808323 /nfs/dbraw/zinc/80/83/23/411808323.db2.gz HHLDTFJXYWJHMC-FSIBCCDJSA-N 0 3 241.335 0.317 20 0 BCADHN NC(=O)C1(NCCOC2CCC2)CCOCC1 ZINC000661594729 411811062 /nfs/dbraw/zinc/81/10/62/411811062.db2.gz AMPBTSSSKSUBMS-UHFFFAOYSA-N 0 3 242.319 0.180 20 0 BCADHN CC(C)(C)OCCNC1(C(N)=O)CCOCC1 ZINC000661593770 411811185 /nfs/dbraw/zinc/81/11/85/411811185.db2.gz GOHPAFQRQVFPKH-UHFFFAOYSA-N 0 3 244.335 0.426 20 0 BCADHN O=C1CC[C@@H]2CN(CCn3cccn3)CC[C@@H]2N1 ZINC000661598409 411812605 /nfs/dbraw/zinc/81/26/05/411812605.db2.gz WIQJNGWSTHPZNZ-NEPJUHHUSA-N 0 3 248.330 0.484 20 0 BCADHN Cn1cc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cn1 ZINC000661600763 411812651 /nfs/dbraw/zinc/81/26/51/411812651.db2.gz ODQDBDPJDAFWOJ-NEPJUHHUSA-N 0 3 248.330 0.521 20 0 BCADHN CC(C)OC[C@H](O)CN(C)C[C@H]1COCCO1 ZINC000661604363 411814657 /nfs/dbraw/zinc/81/46/57/411814657.db2.gz DTEHMSIVJWKENH-NEPJUHHUSA-N 0 3 247.335 0.120 20 0 BCADHN CN(CCC1(O)CCC1)C[C@@H]1COCCO1 ZINC000661613352 411816471 /nfs/dbraw/zinc/81/64/71/411816471.db2.gz IWVHMITXLJSYNB-LLVKDONJSA-N 0 3 229.320 0.639 20 0 BCADHN CCOCC[C@@H](O)CN(C)C[C@@H]1COCCO1 ZINC000661611395 411816744 /nfs/dbraw/zinc/81/67/44/411816744.db2.gz KBTJMIYNEMYZOJ-VXGBXAGGSA-N 0 3 247.335 0.121 20 0 BCADHN C[C@@H](CN(C)C)Nc1nnc(C2CC2)o1 ZINC000336725379 411817385 /nfs/dbraw/zinc/81/73/85/411817385.db2.gz GJNDNGMSBMHBHP-ZETCQYMHSA-N 0 3 210.281 1.309 20 0 BCADHN CN(C[C@H]1COCCO1)[C@H]1CCCOC1 ZINC000661614268 411817490 /nfs/dbraw/zinc/81/74/90/411817490.db2.gz WUTYRPNIKUTFPW-QWRGUYRKSA-N 0 3 215.293 0.513 20 0 BCADHN C[C@H]1CN(Cc2cnn(C)c2)C[C@H](C)C1O ZINC000661620267 411817979 /nfs/dbraw/zinc/81/79/79/411817979.db2.gz FNVMJOHJNCJCGV-UWVGGRQHSA-N 0 3 223.320 0.869 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000365008295 411819842 /nfs/dbraw/zinc/81/98/42/411819842.db2.gz KLTJCGPCAINKGV-SSDOTTSWSA-N 0 3 249.249 0.692 20 0 BCADHN CCN(CC)C(=O)CN1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661627230 411821982 /nfs/dbraw/zinc/82/19/82/411821982.db2.gz OMCOTYZYKQQSHY-QWRGUYRKSA-N 0 3 242.363 0.804 20 0 BCADHN O=C1NCCC[C@@H]1N1CCC[C@](O)(C2CC2)C1 ZINC000661628052 411823596 /nfs/dbraw/zinc/82/35/96/411823596.db2.gz SVAZYANXKVHWOJ-WCQYABFASA-N 0 3 238.331 0.502 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000661629663 411823787 /nfs/dbraw/zinc/82/37/87/411823787.db2.gz ZVPGNWFWBOZIGW-KCJUWKMLSA-N 0 3 212.293 0.097 20 0 BCADHN Nc1cccc(CN2C[C@H](CO)[C@H](O)C2)c1 ZINC000316564006 411824050 /nfs/dbraw/zinc/82/40/50/411824050.db2.gz TTYUFIOJBAFHFF-ZYHUDNBSSA-N 0 3 222.288 0.054 20 0 BCADHN C[C@@H](N)[C@@H](C)Nc1nccn(C2CC2)c1=O ZINC000381557708 411825491 /nfs/dbraw/zinc/82/54/91/411825491.db2.gz HJVRMHYOBBLQJK-HTQZYQBOSA-N 0 3 222.292 0.726 20 0 BCADHN C[C@H]1CN(Cc2cncn2C)C[C@H](C)C1O ZINC000661631339 411825712 /nfs/dbraw/zinc/82/57/12/411825712.db2.gz OOYZVKDZICKNGJ-UWVGGRQHSA-N 0 3 223.320 0.869 20 0 BCADHN CCN(C)C(=O)CN1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661631358 411826328 /nfs/dbraw/zinc/82/63/28/411826328.db2.gz ORGGFMBCLSSDEC-NXEZZACHSA-N 0 3 228.336 0.413 20 0 BCADHN O=C(CN1CCC[C@](O)(C2CC2)C1)N1CCC1 ZINC000661631970 411826942 /nfs/dbraw/zinc/82/69/42/411826942.db2.gz JQTSPJVKRNRKSX-CYBMUJFWSA-N 0 3 238.331 0.456 20 0 BCADHN C[C@@H](Nc1nccn(C)c1=O)C1=CCN(C)CC1 ZINC000621288764 411829069 /nfs/dbraw/zinc/82/90/69/411829069.db2.gz IDSAWQMWVQODMJ-SNVBAGLBSA-N 0 3 248.330 0.843 20 0 BCADHN C[C@]12COC[C@H]1CN(CC(=O)N1CCCC1)C2 ZINC000661698217 411846174 /nfs/dbraw/zinc/84/61/74/411846174.db2.gz FTOSKUSPSVEUJJ-YPMHNXCESA-N 0 3 238.331 0.577 20 0 BCADHN CCCN1CC[C@H](NC(=O)NC[C@@H](C)OC)C1 ZINC000661703688 411849825 /nfs/dbraw/zinc/84/98/25/411849825.db2.gz FKPDMFGRABPESV-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN CN(C(=O)CN1C[C@@H]2COC[C@]2(C)C1)C1CC1 ZINC000661708345 411850920 /nfs/dbraw/zinc/85/09/20/411850920.db2.gz VKMOILMITJRSQE-MFKMUULPSA-N 0 3 238.331 0.576 20 0 BCADHN CCN(C)C(=O)CN1C[C@H]2COC[C@@]2(C)C1 ZINC000661706997 411851248 /nfs/dbraw/zinc/85/12/48/411851248.db2.gz PZIXJCHEAGJWJM-CMPLNLGQSA-N 0 3 226.320 0.433 20 0 BCADHN CN(C)C(=O)CCCN1CC[C@@]2(O)C[C@H]2C1 ZINC000661722432 411858219 /nfs/dbraw/zinc/85/82/19/411858219.db2.gz HOZWSHOGLHHYGC-CMPLNLGQSA-N 0 3 226.320 0.312 20 0 BCADHN CCn1nccc1CCN1CC[C@@]2(O)C[C@H]2C1 ZINC000661723930 411861135 /nfs/dbraw/zinc/86/11/35/411861135.db2.gz ZBRUXAFONQNAOC-WCQYABFASA-N 0 3 235.331 0.902 20 0 BCADHN CCCN1CC[C@H](NC(=O)N[C@H](C)CCO)C1 ZINC000664185800 411884811 /nfs/dbraw/zinc/88/48/11/411884811.db2.gz UDUYUBQDBWXOCQ-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN Cn1cc(C[C@@H]2CCC[C@@H]2NCC(N)=O)cn1 ZINC000661783999 411885305 /nfs/dbraw/zinc/88/53/05/411885305.db2.gz HNXZOQMUFBSHGL-QWRGUYRKSA-N 0 3 236.319 0.206 20 0 BCADHN CC(C)NCC(=O)N(C)CC[C@H](C)O ZINC000219750588 411887663 /nfs/dbraw/zinc/88/76/63/411887663.db2.gz BFOCTPVAUBKUAG-VIFPVBQESA-N 0 3 202.298 0.214 20 0 BCADHN CN1CCN(C[C@@H](O)C(C)(C)C)CCC1=O ZINC000661805577 411888519 /nfs/dbraw/zinc/88/85/19/411888519.db2.gz MPHDYONIRXNMKS-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN Cc1cnn(CCN2CCC(=O)N(C)CC2)c1 ZINC000661806127 411888784 /nfs/dbraw/zinc/88/87/84/411888784.db2.gz YDMGKDMNNXFSGM-UHFFFAOYSA-N 0 3 236.319 0.356 20 0 BCADHN CN1CCN(C[C@H]2CCOC2)CCC1=O ZINC000661806848 411889689 /nfs/dbraw/zinc/88/96/89/411889689.db2.gz OUKRZPRZHPZATK-SNVBAGLBSA-N 0 3 212.293 0.187 20 0 BCADHN CCOCCCN1CCC(=O)N(C)CC1 ZINC000661814556 411891127 /nfs/dbraw/zinc/89/11/27/411891127.db2.gz ZLCYRUABJOTOOC-UHFFFAOYSA-N 0 3 214.309 0.577 20 0 BCADHN CC(=O)[C@](C)(O)CN[C@H]1C[C@H](O)C12CCC2 ZINC000661826385 411893013 /nfs/dbraw/zinc/89/30/13/411893013.db2.gz IOYBMJGHFALTBU-GARJFASQSA-N 0 3 227.304 0.220 20 0 BCADHN O=c1ccccn1CCN[C@@H]1C[C@H](O)C12CCC2 ZINC000661832244 411895198 /nfs/dbraw/zinc/89/51/98/411895198.db2.gz ZMVSSQWICXONBV-NEPJUHHUSA-N 0 3 248.326 0.741 20 0 BCADHN CN1C[C@H]2CCN(Cc3nccc(N)n3)[C@@H]2C1 ZINC000644732056 411895894 /nfs/dbraw/zinc/89/58/94/411895894.db2.gz DWAPJZSYPHNKRV-NXEZZACHSA-N 0 3 233.319 0.195 20 0 BCADHN CN1CC[C@H](N[C@@H]2C[C@H](O)C23CCC3)C1=O ZINC000661834417 411897524 /nfs/dbraw/zinc/89/75/24/411897524.db2.gz GVSSWVJCAALXOI-AEJSXWLSSA-N 0 3 224.304 0.110 20 0 BCADHN CC[C@H](N[C@@H]1C[C@H](O)C12CCC2)C(N)=O ZINC000661834738 411897974 /nfs/dbraw/zinc/89/79/74/411897974.db2.gz IVLOXNXRBCJRJE-YIZRAAEISA-N 0 3 212.293 0.143 20 0 BCADHN C[C@@H](CNC(=O)c1ncnn1C)N(C)C1CC1 ZINC000664250499 411898355 /nfs/dbraw/zinc/89/83/55/411898355.db2.gz QSQNUDLHCPIEKX-QMMMGPOBSA-N 0 3 237.307 0.028 20 0 BCADHN C[C@H](CNC(=O)c1ncnn1C)N(C)C1CC1 ZINC000664250498 411898677 /nfs/dbraw/zinc/89/86/77/411898677.db2.gz QSQNUDLHCPIEKX-MRVPVSSYSA-N 0 3 237.307 0.028 20 0 BCADHN CCNC(=O)CN[C@@H]1C[C@H](O)C12CCC2 ZINC000661842028 411899192 /nfs/dbraw/zinc/89/91/92/411899192.db2.gz ULIJNLNLQYBCMB-BDAKNGLRSA-N 0 3 212.293 0.016 20 0 BCADHN CC(C)CNC(=O)CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000661840730 411899480 /nfs/dbraw/zinc/89/94/80/411899480.db2.gz RQAVKHDCRVJFKJ-GHMZBOCLSA-N 0 3 240.347 0.652 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@@H]1C[C@H](O)C12CCC2 ZINC000661843772 411899916 /nfs/dbraw/zinc/89/99/16/411899916.db2.gz YZFWJROTCVNOQE-AXFHLTTASA-N 0 3 240.347 0.794 20 0 BCADHN C[C@@H](c1nccc(N)n1)N1CCCN(C)CC1 ZINC000577228646 411901037 /nfs/dbraw/zinc/90/10/37/411901037.db2.gz GUNIBLKFFVXUHG-JTQLQIEISA-N 0 3 235.335 0.757 20 0 BCADHN COC(=O)[C@@H](C)CN(C)Cc1ccc(N)nc1 ZINC000592430977 411910738 /nfs/dbraw/zinc/91/07/38/411910738.db2.gz KXVQVFFXPSWCCY-VIFPVBQESA-N 0 3 237.303 0.905 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc(N)nc1 ZINC000638158354 411911334 /nfs/dbraw/zinc/91/13/34/411911334.db2.gz PKROUDBMLXRQLD-DTWKUNHWSA-N 0 3 234.303 0.486 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCc2nnc(N)cc2C1 ZINC000393810501 411912361 /nfs/dbraw/zinc/91/23/61/411912361.db2.gz UNXHQXDTHQPULX-RKDXNWHRSA-N 0 3 218.304 1.073 20 0 BCADHN C[C@@H]1C[C@H](N2CCc3cnc(N)nc3C2)CCO1 ZINC000623292494 411913447 /nfs/dbraw/zinc/91/34/47/411913447.db2.gz PXDMXPKNCIZDHQ-MWLCHTKSSA-N 0 3 248.330 0.984 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1nccc(N)n1 ZINC000574199535 411915324 /nfs/dbraw/zinc/91/53/24/411915324.db2.gz HRRPYOAXPKRLOV-LLVKDONJSA-N 0 3 237.307 0.193 20 0 BCADHN CCCN1CC[C@H](NC(=O)N2CCC2)C1 ZINC000661946361 411916300 /nfs/dbraw/zinc/91/63/00/411916300.db2.gz IPQFNVLXKIHIFS-JTQLQIEISA-N 0 3 211.309 0.886 20 0 BCADHN CC1CC(NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664300923 411916829 /nfs/dbraw/zinc/91/68/29/411916829.db2.gz KMIIDDPSNDRAQT-TVUZUIDESA-N 0 3 241.335 0.101 20 0 BCADHN C[C@H](NC(=O)[C@@H]1CCCCN1)c1nccc(N)n1 ZINC000638858309 411921148 /nfs/dbraw/zinc/92/11/48/411921148.db2.gz NGSACEPHXQCJHP-IUCAKERBSA-N 0 3 249.318 0.378 20 0 BCADHN CN1CCN(C(=O)CN2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661969613 411926839 /nfs/dbraw/zinc/92/68/39/411926839.db2.gz CWWPTEWEBLURDW-VXGBXAGGSA-N 0 3 237.347 0.102 20 0 BCADHN C[C@H]1CN(c2ncnc3nc(N)ccc32)CCN1 ZINC000420201315 411929816 /nfs/dbraw/zinc/92/98/16/411929816.db2.gz NHQCFMRWORZTQB-QMMMGPOBSA-N 0 3 244.302 0.405 20 0 BCADHN COCCCNC(=O)[C@H](C)N1CC[C@H]2C[C@H]2C1 ZINC000661976297 411932888 /nfs/dbraw/zinc/93/28/88/411932888.db2.gz UXWXNRXZIFQNSZ-SRVKXCTJSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H]1C[C@H]1CN1CCc2nnc(N)cc2C1 ZINC000393810500 411933040 /nfs/dbraw/zinc/93/30/40/411933040.db2.gz UNXHQXDTHQPULX-IUCAKERBSA-N 0 3 218.304 1.073 20 0 BCADHN CCOCCN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662011875 411940046 /nfs/dbraw/zinc/94/00/46/411940046.db2.gz MYOWCKCQVDJFLL-NSHDSACASA-N 0 3 243.351 0.711 20 0 BCADHN Nc1cc(CN[C@H](CO)[C@@H]2CCCO2)ccn1 ZINC000447924971 411943716 /nfs/dbraw/zinc/94/37/16/411943716.db2.gz XUTDNMYRYZFZFV-MNOVXSKESA-N 0 3 237.303 0.293 20 0 BCADHN C[C@@H](CO)CN1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662011161 411941298 /nfs/dbraw/zinc/94/12/98/411941298.db2.gz JNKAYRBNDIVAEA-GHMZBOCLSA-N 0 3 243.351 0.303 20 0 BCADHN COC[C@](C)(CCO)NCc1ccnc(N)c1 ZINC000630343807 411868821 /nfs/dbraw/zinc/86/88/21/411868821.db2.gz RIKZGVGVENICBR-LBPRGKRZSA-N 0 3 239.319 0.541 20 0 BCADHN CCOCCN1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639821371 411868897 /nfs/dbraw/zinc/86/88/97/411868897.db2.gz JDNACIOVRPRITN-SECBINFHSA-N 0 3 240.307 0.868 20 0 BCADHN C[C@H](O)[C@H]1CCCN1Cc1ccnn1C ZINC000661764598 411874295 /nfs/dbraw/zinc/87/42/95/411874295.db2.gz GYWXJVXRHQPCER-GXSJLCMTSA-N 0 3 209.293 0.765 20 0 BCADHN CC(C)[C@@H](N)c1cn(Cc2ccnc(N)c2)nn1 ZINC000641067795 411877656 /nfs/dbraw/zinc/87/76/56/411877656.db2.gz BAVWGOQIHPSGGA-GFCCVEGCSA-N 0 3 246.318 0.959 20 0 BCADHN CC(C)[C@H]1CN(Cc2nccc(N)n2)CCN1C ZINC000351652164 411879912 /nfs/dbraw/zinc/87/99/12/411879912.db2.gz RYYMOZIECDYJSS-LLVKDONJSA-N 0 3 249.362 0.831 20 0 BCADHN C[C@@H](F)CCN1CCc2nnc(N)cc2C1 ZINC000367560526 411884338 /nfs/dbraw/zinc/88/43/38/411884338.db2.gz YFVSPMCCDKLCEY-MRVPVSSYSA-N 0 3 224.283 1.165 20 0 BCADHN CN(Cc1ccnc(N)c1)[C@H]1CCC[C@H]1O ZINC000348104274 411884541 /nfs/dbraw/zinc/88/45/41/411884541.db2.gz GYQAKLOIHKOLKR-WDEREUQCSA-N 0 3 221.304 1.009 20 0 BCADHN CC[C@@H](N)C(=O)N(C)Cc1c(C)noc1C ZINC000037819172 170861045 /nfs/dbraw/zinc/86/10/45/170861045.db2.gz AADNEOFXGAVDHH-SNVBAGLBSA-N 0 3 225.292 0.987 20 0 BCADHN FC(F)COCCN1CCC2(COC2)C1 ZINC000662071789 411971478 /nfs/dbraw/zinc/97/14/78/411971478.db2.gz CMXAHDKVCVEKIQ-UHFFFAOYSA-N 0 3 221.247 0.990 20 0 BCADHN CCc1cc(N2CCC(CO)(CO)C2)ccn1 ZINC000664515999 411973651 /nfs/dbraw/zinc/97/36/51/411973651.db2.gz LMLGWVOARCXDIR-UHFFFAOYSA-N 0 3 236.315 0.825 20 0 BCADHN Cc1c(CN2CCC3(COC3)C2)cnn1C ZINC000662074270 411976021 /nfs/dbraw/zinc/97/60/21/411976021.db2.gz FNMQGNQONZNTIG-UHFFFAOYSA-N 0 3 221.304 0.951 20 0 BCADHN CC[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)O ZINC000358617700 170876849 /nfs/dbraw/zinc/87/68/49/170876849.db2.gz LVPAYCLTZYMWIU-SNVBAGLBSA-N 0 3 230.352 0.992 20 0 BCADHN CC(C)(C)OC[C@@H](O)CN1CCC2(COC2)C1 ZINC000662076780 411978369 /nfs/dbraw/zinc/97/83/69/411978369.db2.gz ULBQQNNFCOREHS-NSHDSACASA-N 0 3 243.347 0.885 20 0 BCADHN Cc1ncc(C(=O)NC2CCN(C)CC2)c(N)n1 ZINC000532870039 411983942 /nfs/dbraw/zinc/98/39/42/411983942.db2.gz FXJURGSUGRAQBE-UHFFFAOYSA-N 0 3 249.318 0.191 20 0 BCADHN CC(C)NC(=O)[C@H]1CCCN(CCO)C1 ZINC000662116474 411990471 /nfs/dbraw/zinc/99/04/71/411990471.db2.gz BYWQFQKMDWLWQM-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN CCN(C)C(=O)CN1C[C@H](C)[C@@](C)(CO)C1 ZINC000662132798 411997325 /nfs/dbraw/zinc/99/73/25/411997325.db2.gz BLJUBWGQOWCXMQ-CMPLNLGQSA-N 0 3 228.336 0.415 20 0 BCADHN C[C@H]1CN(Cc2cnn(C)c2)C[C@@]1(C)CO ZINC000662137714 411998867 /nfs/dbraw/zinc/99/88/67/411998867.db2.gz ZTHCAOZADRWNRD-JQWIXIFHSA-N 0 3 223.320 0.870 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@H](C)[C@@](C)(CO)C1 ZINC000662136080 412000082 /nfs/dbraw/zinc/00/00/82/412000082.db2.gz IIGBCZKLBHKJNQ-HOSYDEDBSA-N 0 3 228.336 0.413 20 0 BCADHN C[C@H]1CN(CCN2CCCC2=O)C[C@@]1(C)CO ZINC000662136353 412000253 /nfs/dbraw/zinc/00/02/53/412000253.db2.gz SRXOLMAHABTKLZ-AAEUAGOBSA-N 0 3 240.347 0.559 20 0 BCADHN C[C@@H]1CN([C@H]2CCCNC2=O)C[C@]1(C)CO ZINC000662140675 412001284 /nfs/dbraw/zinc/00/12/84/412001284.db2.gz DKQIOGFKZCULHS-JFGNBEQYSA-N 0 3 226.320 0.215 20 0 BCADHN CC(C)NC(=O)CN1C[C@H](C)[C@@](C)(CO)C1 ZINC000662141469 412001320 /nfs/dbraw/zinc/00/13/20/412001320.db2.gz WXUFYOGJQPBZCT-CMPLNLGQSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@H]1CN(Cc2ccnn2C)C[C@@]1(C)CO ZINC000662142573 412002856 /nfs/dbraw/zinc/00/28/56/412002856.db2.gz JBXVVCCBGVOVIH-JQWIXIFHSA-N 0 3 223.320 0.870 20 0 BCADHN C[C@H]1CN(Cc2cncn2C)C[C@@]1(C)CO ZINC000662143057 412003453 /nfs/dbraw/zinc/00/34/53/412003453.db2.gz OZUMLHNPHHEPOK-JQWIXIFHSA-N 0 3 223.320 0.870 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@]1(C)CO ZINC000662143546 412005040 /nfs/dbraw/zinc/00/50/40/412005040.db2.gz MMIBSCQHSGNKEJ-NQBHXWOUSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@H]1CN(Cc2cncn2C)C[C@]1(C)CO ZINC000662143056 412005085 /nfs/dbraw/zinc/00/50/85/412005085.db2.gz OZUMLHNPHHEPOK-CMPLNLGQSA-N 0 3 223.320 0.870 20 0 BCADHN C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@@]1(C)CO ZINC000662144562 412005675 /nfs/dbraw/zinc/00/56/75/412005675.db2.gz UZUOGHAKRNOTHB-FOGDFJRCSA-N 0 3 226.320 0.167 20 0 BCADHN C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@@]1(C)CO ZINC000662144578 412006190 /nfs/dbraw/zinc/00/61/90/412006190.db2.gz UZUOGHAKRNOTHB-SCVCMEIPSA-N 0 3 226.320 0.167 20 0 BCADHN C[C@@H]1CN(Cc2cnc[nH]2)C[C@@]1(C)CO ZINC000662147118 412008585 /nfs/dbraw/zinc/00/85/85/412008585.db2.gz VFVOOBVZQCDDEW-KOLCDFICSA-N 0 3 209.293 0.860 20 0 BCADHN O=C(C[C@@H]1C=CCC1)N1CCOC2(CNC2)C1 ZINC000664727417 412013995 /nfs/dbraw/zinc/01/39/95/412013995.db2.gz IAZHTCLPLXPVLF-LLVKDONJSA-N 0 3 236.315 0.544 20 0 BCADHN O=C([C@H]1CC=CCC1)N1CCOC2(CNC2)C1 ZINC000664727928 412014891 /nfs/dbraw/zinc/01/48/91/412014891.db2.gz STLUPDUBXYEGKW-NSHDSACASA-N 0 3 236.315 0.544 20 0 BCADHN CC[C@@H](O)CN1CCC(O)(COC)CC1 ZINC000339058965 170928491 /nfs/dbraw/zinc/92/84/91/170928491.db2.gz KYBXLEQIRVAZGO-SNVBAGLBSA-N 0 3 217.309 0.231 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@@H]2COC[C@@H]2C1 ZINC000662031529 411947212 /nfs/dbraw/zinc/94/72/12/411947212.db2.gz FDNNVJBVADEKJM-VWYCJHECSA-N 0 3 224.304 0.233 20 0 BCADHN CCN1CC[C@H](N2CC[C@H]3COC[C@@H]3C2)C1=O ZINC000662031282 411947320 /nfs/dbraw/zinc/94/73/20/411947320.db2.gz RNDFXGOCJXRCAW-SRVKXCTJSA-N 0 3 238.331 0.576 20 0 BCADHN Nc1cc2c(nn1)CCN([C@H]1CCCC[C@@H]1O)C2 ZINC000363466377 411950597 /nfs/dbraw/zinc/95/05/97/411950597.db2.gz GBOLCBVCHMIEKF-RYUDHWBXSA-N 0 3 248.330 0.720 20 0 BCADHN Nc1cc2c(nn1)CCN([C@H]1CCCC[C@H]1O)C2 ZINC000363466376 411950635 /nfs/dbraw/zinc/95/06/35/411950635.db2.gz GBOLCBVCHMIEKF-NWDGAFQWSA-N 0 3 248.330 0.720 20 0 BCADHN CCc1nc(CN2CC[C@@H]3COC[C@@H]3C2)n[nH]1 ZINC000662038799 411955853 /nfs/dbraw/zinc/95/58/53/411955853.db2.gz XCJGPIPEQPEPLN-ZJUUUORDSA-N 0 3 236.319 0.835 20 0 BCADHN Nc1ccc(NC(=O)[C@@H]2CCCCCN2)cn1 ZINC000364467840 411957652 /nfs/dbraw/zinc/95/76/52/411957652.db2.gz OIPLCDXEQGNTGJ-JTQLQIEISA-N 0 3 234.303 1.135 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@H]2COC[C@H]2C1 ZINC000662041346 411958663 /nfs/dbraw/zinc/95/86/63/411958663.db2.gz KBGDUKHNNHCPLA-GHMZBOCLSA-N 0 3 226.320 0.479 20 0 BCADHN CNC(=O)CCN1CCC(c2ccon2)CC1 ZINC000662046334 411962330 /nfs/dbraw/zinc/96/23/30/411962330.db2.gz BEBQTVXSRBJPTE-UHFFFAOYSA-N 0 3 237.303 0.990 20 0 BCADHN COCCN1CCN(CCOC)[C@@H](C)[C@H]1C ZINC000662222628 412031301 /nfs/dbraw/zinc/03/13/01/412031301.db2.gz GUXNVWYLIHEOJU-TXEJJXNPSA-N 0 3 230.352 0.674 20 0 BCADHN CC[C@@H]1COCCN1C[C@@H]1CCC2(CNC2)O1 ZINC000662252890 412050301 /nfs/dbraw/zinc/05/03/01/412050301.db2.gz RBCOLDAPXSKGOJ-NEPJUHHUSA-N 0 3 240.347 0.618 20 0 BCADHN CC(C)(C)CN(CCO)C[C@H]1CNCCO1 ZINC000662258786 412052853 /nfs/dbraw/zinc/05/28/53/412052853.db2.gz XPTFHEPTEFZDTG-LLVKDONJSA-N 0 3 230.352 0.315 20 0 BCADHN CC(C)CO[C@H]1CCN(C[C@@H]2CNCCO2)C1 ZINC000662259548 412053068 /nfs/dbraw/zinc/05/30/68/412053068.db2.gz YQXOTAIRBKFNAP-STQMWFEESA-N 0 3 242.363 0.722 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1O)N(C)C ZINC000134096559 412058201 /nfs/dbraw/zinc/05/82/01/412058201.db2.gz ADDZTSJPUIWYMN-WOPDTQHZSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H](CN)OC ZINC000227400153 171050831 /nfs/dbraw/zinc/05/08/31/171050831.db2.gz JHJWANDSXBIXCC-IVZWLZJFSA-N 0 3 214.309 0.750 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](N)CCSC)CCO1 ZINC000040460267 171067522 /nfs/dbraw/zinc/06/75/22/171067522.db2.gz IUZYSLLMIRARBU-ZJUUUORDSA-N 0 3 246.376 0.704 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)C[C@@H](C)O1 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171093579 /nfs/dbraw/zinc/09/35/79/171093579.db2.gz USRDRTVXJXKDIW-TUAOUCFPSA-N 0 3 242.363 0.850 20 0 BCADHN CC[C@@H]1CN([C@@H](C)C(=O)N(C)C)CCCO1 ZINC000335219202 171094400 /nfs/dbraw/zinc/09/44/00/171094400.db2.gz JEALEUOHGJQUAZ-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@@H]1CN([C@H]2CCN(C(C)C)C2=O)C[C@@H]1O ZINC000341015497 171096159 /nfs/dbraw/zinc/09/61/59/171096159.db2.gz RADFMIWZOOCCNV-WOPDTQHZSA-N 0 3 240.347 0.698 20 0 BCADHN CC[C@@H]1CN([C@@H]2CCN(C(C)C)C2=O)C[C@@H]1O ZINC000341015495 171096871 /nfs/dbraw/zinc/09/68/71/171096871.db2.gz RADFMIWZOOCCNV-UTUOFQBUSA-N 0 3 240.347 0.698 20 0 BCADHN CC[C@@H]1CN([C@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC000341014148 171096889 /nfs/dbraw/zinc/09/68/89/171096889.db2.gz RGERPELTMCCUDH-GMTAPVOTSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)[C@@H](C)N ZINC000370767646 171099394 /nfs/dbraw/zinc/09/93/94/171099394.db2.gz VBWBZBCTJAYUKF-UTUOFQBUSA-N 0 3 239.363 0.809 20 0 BCADHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1nc[nH]n1 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171226198 /nfs/dbraw/zinc/22/61/98/171226198.db2.gz CEZBZZMPYNDVJI-GARJFASQSA-N 0 3 228.336 0.413 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H](OC)C1)N(C)C ZINC000338960241 171226459 /nfs/dbraw/zinc/22/64/59/171226459.db2.gz DOHHAPTXMZLCCO-VHSXEESVSA-N 0 3 214.309 0.574 20 0 BCADHN CC[C@H](C(=O)NC1CCN(C)CC1)N(C)C ZINC000124575377 171227333 /nfs/dbraw/zinc/22/73/33/171227333.db2.gz MHBYOWOCIRMTPH-LLVKDONJSA-N 0 3 227.352 0.537 20 0 BCADHN CC[C@H](C(=O)NCC[C@@H](C)OC)N(C)C ZINC000338970831 171228070 /nfs/dbraw/zinc/22/80/70/171228070.db2.gz ZKPVTWRSINXEIU-NXEZZACHSA-N 0 3 216.325 0.868 20 0 BCADHN CC[C@H](C(=O)NC[C@@](C)(O)CSC)N(C)C ZINC000125290995 171229319 /nfs/dbraw/zinc/22/93/19/171229319.db2.gz PQQBXMOYYKUGBZ-MWLCHTKSSA-N 0 3 248.392 0.557 20 0 BCADHN CC[C@H](C(=O)NCCSCCCO)N(C)C ZINC000120820410 171228831 /nfs/dbraw/zinc/22/88/31/171228831.db2.gz CVQZZJFTZAJNAD-SNVBAGLBSA-N 0 3 248.392 0.558 20 0 BCADHN CC[C@H](C(=O)NCCC[C@@H](C)CO)N(C)C ZINC000340415891 171228884 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/nfs/dbraw/zinc/23/01/82/171230182.db2.gz BKYBSXPYWSFRQD-MRVPVSSYSA-N 0 3 243.332 0.393 20 0 BCADHN CC[C@H](C(=O)NC[C@](C)(O)C1CC1)N(C)C ZINC000331745076 171230250 /nfs/dbraw/zinc/23/02/50/171230250.db2.gz HOZVXYCVIXGFLN-PWSUYJOCSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)C[C@H](C)O)N(C)C ZINC000332430188 171231483 /nfs/dbraw/zinc/23/14/83/171231483.db2.gz APKHZMVOOIOPAI-LPEHRKFASA-N 0 3 216.325 0.602 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)c1ncon1)N(C)C ZINC000272166952 171231543 /nfs/dbraw/zinc/23/15/43/171231543.db2.gz IQFZMYRZKVSYIT-JGVFFNPUSA-N 0 3 226.280 0.587 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)c1nncn1C)N(C)C ZINC000330539502 171231911 /nfs/dbraw/zinc/23/19/11/171231911.db2.gz GRWOFXWMDYBVAJ-DTWKUNHWSA-N 0 3 239.323 0.333 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CO)CC1CCC1)N(C)C ZINC000359341332 171232057 /nfs/dbraw/zinc/23/20/57/171232057.db2.gz MGAXKMCTNLNSOE-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)c1nc(C)no1)N(C)C ZINC000330418208 171232403 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MAQJIZMPJOAJTE-SNVBAGLBSA-N 0 3 213.325 0.278 20 0 BCADHN CC[C@H](C(N)=O)N(C)C[C@H]1CCCOC1 ZINC000246411924 171243472 /nfs/dbraw/zinc/24/34/72/171243472.db2.gz ZYDWUEIYQLQJKY-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN CC[C@H](C(N)=O)N1CCOC[C@H](C2CCC2)C1 ZINC000368640027 171244244 /nfs/dbraw/zinc/24/42/44/171244244.db2.gz ZRXHQYQFLXQWIS-VXGBXAGGSA-N 0 3 240.347 0.999 20 0 BCADHN CC[C@H](C(N)=O)N1CCOC[C@@H](C2CCC2)C1 ZINC000368640025 171245503 /nfs/dbraw/zinc/24/55/03/171245503.db2.gz ZRXHQYQFLXQWIS-NWDGAFQWSA-N 0 3 240.347 0.999 20 0 BCADHN CCN(C[C@@H]1CNCCO1)c1cnn(C)c1 ZINC000662282982 412074616 /nfs/dbraw/zinc/07/46/16/412074616.db2.gz FQVBZMRYTYGNSB-NSHDSACASA-N 0 3 224.308 0.235 20 0 BCADHN CCN(C[C@H]1CNCCO1)c1cnn(C)c1 ZINC000662282980 412074702 /nfs/dbraw/zinc/07/47/02/412074702.db2.gz FQVBZMRYTYGNSB-LLVKDONJSA-N 0 3 224.308 0.235 20 0 BCADHN CC[C@H](C)CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126310738 171282294 /nfs/dbraw/zinc/28/22/94/171282294.db2.gz AAYMPFWPIJRIRX-ONGXEEELSA-N 0 3 243.351 0.248 20 0 BCADHN CC[C@H](C)CNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336702274 171282503 /nfs/dbraw/zinc/28/25/03/171282503.db2.gz AAYMPFWPIJRIRX-GXSJLCMTSA-N 0 3 243.351 0.248 20 0 BCADHN CC[C@H](C)N(C)CCS(=O)(=O)N(C)C ZINC000336683639 171307685 /nfs/dbraw/zinc/30/76/85/171307685.db2.gz JFVZBTCJACAZAE-VIFPVBQESA-N 0 3 222.354 0.608 20 0 BCADHN CC[C@H](C)N1CCC(NS(=O)(=O)NC)CC1 ZINC000361393486 171317898 /nfs/dbraw/zinc/31/78/98/171317898.db2.gz XKFMVDCBIZJJHW-VIFPVBQESA-N 0 3 249.380 0.303 20 0 BCADHN CC[C@H](C)N1CCN(CCC(=O)N(C)C)CC1 ZINC000337209693 171319419 /nfs/dbraw/zinc/31/94/19/171319419.db2.gz BGJCJVYMZDAJSJ-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CC[C@H](C)NC(=O)CCNC(=O)[C@H](N)C(C)C ZINC000038014910 171322539 /nfs/dbraw/zinc/32/25/39/171322539.db2.gz INRAKWFYUDBQIN-GXSJLCMTSA-N 0 3 243.351 0.391 20 0 BCADHN CC[C@H](C)NC(=O)CCNC(=O)[C@@H](N)CC ZINC000038014990 171322588 /nfs/dbraw/zinc/32/25/88/171322588.db2.gz AWKTUVFBKSULMC-IUCAKERBSA-N 0 3 229.324 0.145 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N(C)CCCCO ZINC000349924062 171333464 /nfs/dbraw/zinc/33/34/64/171333464.db2.gz ZPXDTVNSKYHPJY-QWRGUYRKSA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)N ZINC000236985289 171334306 /nfs/dbraw/zinc/33/43/06/171334306.db2.gz JGALBMTVKUZOBL-YUMQZZPRSA-N 0 3 229.324 0.143 20 0 BCADHN C[C@H](CCCO)NC(=O)/C=C/CN(C)C ZINC000268712442 487622167 /nfs/dbraw/zinc/62/21/67/487622167.db2.gz XZDVXSYZABFBBG-LJJSCBMDSA-N 0 3 214.309 0.381 20 0 BCADHN CC[C@H](C)N[C@H]1CCN(c2ccn(C)n2)C1=O ZINC000371739855 171348521 /nfs/dbraw/zinc/34/85/21/171348521.db2.gz QLGPCDVCUQRALS-UWVGGRQHSA-N 0 3 236.319 0.914 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(C)Cc1nccn1C ZINC000037823001 171369823 /nfs/dbraw/zinc/36/98/23/171369823.db2.gz UWYPCUNNBAHPFS-GXSJLCMTSA-N 0 3 238.335 0.752 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(C)CCCC(=O)NC ZINC000237035278 171369888 /nfs/dbraw/zinc/36/98/88/171369888.db2.gz ZENCBSTYMZBCIZ-GXSJLCMTSA-N 0 3 243.351 0.344 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000040503566 171370486 /nfs/dbraw/zinc/37/04/86/171370486.db2.gz SRCSQMGRXBSMRJ-QJPTWQEYSA-N 0 3 241.379 0.960 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CCCOC1 ZINC000245225589 171370742 /nfs/dbraw/zinc/37/07/42/171370742.db2.gz YVBVICHWVIYMEA-HBNTYKKESA-N 0 3 228.336 0.903 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NC[C@H](C)COC ZINC000250303745 171370841 /nfs/dbraw/zinc/37/08/41/171370841.db2.gz ZHLDBXCERGLHTH-LPEHRKFASA-N 0 3 216.325 0.759 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)CCOC ZINC000246642974 171370939 /nfs/dbraw/zinc/37/09/39/171370939.db2.gz HUCLCNGHBOFPGD-IVZWLZJFSA-N 0 3 216.325 0.901 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCC(=O)OC ZINC000040859705 171371214 /nfs/dbraw/zinc/37/12/14/171371214.db2.gz RVIQKBOZJROYAO-IONNQARKSA-N 0 3 216.281 0.039 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)c1nncn1C ZINC000037026237 171371633 /nfs/dbraw/zinc/37/16/33/171371633.db2.gz WSVYZNZWWYNPPS-XHNCKOQMSA-N 0 3 239.323 0.366 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)c1cnn(C)c1 ZINC000336722294 171371686 /nfs/dbraw/zinc/37/16/86/171371686.db2.gz YCVGMMSVFYEAHR-IQJOONFLSA-N 0 3 238.335 0.971 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@]1(F)CCNC1 ZINC000305101430 171377807 /nfs/dbraw/zinc/37/78/07/171377807.db2.gz BWHSCLCXYGVUJM-QXEWZRGKSA-N 0 3 232.299 0.211 20 0 BCADHN CC[C@H](C)[C@@H](O)CN[C@H](C)c1ccc(=O)[nH]n1 ZINC000286316702 171378716 /nfs/dbraw/zinc/37/87/16/171378716.db2.gz XLBMPAQBEDRFMJ-NGZCFLSTSA-N 0 3 239.319 0.828 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)C[C@H](C)C(=O)OC ZINC000040468609 171393181 /nfs/dbraw/zinc/39/31/81/171393181.db2.gz UHFKHRJOOSFLCM-GUBZILKMSA-N 0 3 244.335 0.627 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CCOC1 ZINC000134162475 171393379 /nfs/dbraw/zinc/39/33/79/171393379.db2.gz YYSLYJVTOWYCIN-GUBZILKMSA-N 0 3 214.309 0.607 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@H](C)C1 ZINC000371568238 171394553 /nfs/dbraw/zinc/39/45/53/171394553.db2.gz HQARYGHNKZCGJL-DCAQKATOSA-N 0 3 228.336 0.855 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](O)C1 ZINC000035624097 171394580 /nfs/dbraw/zinc/39/45/80/171394580.db2.gz SGNZWIYANWHCIK-GUBZILKMSA-N 0 3 214.309 0.343 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(CCOC)CCOC ZINC000036200116 171394729 /nfs/dbraw/zinc/39/47/29/171394729.db2.gz WNISUKKMSFCYQX-QWRGUYRKSA-N 0 3 246.351 0.481 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCOC1 ZINC000037739129 171394964 /nfs/dbraw/zinc/39/49/64/171394964.db2.gz ITCLAOUACZKQGT-GUBZILKMSA-N 0 3 214.309 0.513 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726677 171394978 /nfs/dbraw/zinc/39/49/78/171394978.db2.gz DBBJGEUQUUHWJV-UMNHJUIQSA-N 0 3 239.363 0.713 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)Cn1cncn1 ZINC000269658071 171395525 /nfs/dbraw/zinc/39/55/25/171395525.db2.gz KEJZBEIWCUYVOM-AEJSXWLSSA-N 0 3 239.323 0.156 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000052009217 171395668 /nfs/dbraw/zinc/39/56/68/171395668.db2.gz MDVHGTSSERRUHG-ZDCRXTMVSA-N 0 3 228.336 0.780 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC[C@]1(C)CCOC1 ZINC000353662726 171395805 /nfs/dbraw/zinc/39/58/05/171395805.db2.gz JCGOAUYHGIDJKE-NHCYSSNCSA-N 0 3 228.336 0.903 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000226697216 171396534 /nfs/dbraw/zinc/39/65/34/171396534.db2.gz IGICPJOORVTMSD-XKSSXDPKSA-N 0 3 224.308 0.960 20 0 BCADHN CC[C@H](C)[C@H](NC(=O)CNC1CC1)C(=O)OC ZINC000037395084 171398321 /nfs/dbraw/zinc/39/83/21/171398321.db2.gz HRHHYAXHXWHOIT-KWQFWETISA-N 0 3 242.319 0.442 20 0 BCADHN NC(=O)CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662314237 412095975 /nfs/dbraw/zinc/09/59/75/412095975.db2.gz OQHABOXBUZSREU-TXEJJXNPSA-N 0 3 224.304 0.364 20 0 BCADHN COCCCOCCC(=O)NCCN(C)C ZINC000665111499 412098987 /nfs/dbraw/zinc/09/89/87/412098987.db2.gz BNZGBXKBENFXCH-UHFFFAOYSA-N 0 3 232.324 0.107 20 0 BCADHN CCCn1nccc1C(=O)NCCN(C)C ZINC000665112109 412099390 /nfs/dbraw/zinc/09/93/90/412099390.db2.gz PCYGOXBQBKZHCP-UHFFFAOYSA-N 0 3 224.308 0.585 20 0 BCADHN 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C[C@@H](C(=O)N(C)C)N(C)[C@@H](CN)C(F)(F)F ZINC000662332185 412105869 /nfs/dbraw/zinc/10/58/69/412105869.db2.gz NZMVKDBKVRAEAR-BQBZGAKWSA-N 0 3 241.257 0.285 20 0 BCADHN COCCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662337828 412108369 /nfs/dbraw/zinc/10/83/69/412108369.db2.gz URPISYRQCVVWQS-GFCCVEGCSA-N 0 3 234.299 0.984 20 0 BCADHN CC[C@@H](NC)C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000662362883 412123504 /nfs/dbraw/zinc/12/35/04/412123504.db2.gz HZMYXZANTJFZBD-MNOVXSKESA-N 0 3 249.314 0.327 20 0 BCADHN CN1CCCN(CCOC[C@@H]2CCCO2)CC1 ZINC000662377868 412132348 /nfs/dbraw/zinc/13/23/48/412132348.db2.gz YYBYUPSIBKKOOS-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN CN1CCN(C(=O)CN2CC3CC2(C)C3)CC1 ZINC000662381683 412133646 /nfs/dbraw/zinc/13/36/46/412133646.db2.gz ARXJYTZXIGYCJT-UHFFFAOYSA-N 0 3 237.347 0.245 20 0 BCADHN CC(=O)NCCNC(=O)c1cccc2c1CNC2 ZINC000662446206 412177474 /nfs/dbraw/zinc/17/74/74/412177474.db2.gz YXEBVONQYBTQQZ-UHFFFAOYSA-N 0 3 247.298 0.156 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1ccnn1CC 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IKOWURXYLIVOJM-NSHDSACASA-N 0 3 244.335 0.154 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000662534736 412208526 /nfs/dbraw/zinc/20/85/26/412208526.db2.gz BSCSQDUYBQCXMQ-INTQDDNPSA-N 0 3 226.320 0.668 20 0 BCADHN O=C(Nc1cc[nH]n1)c1cn[n-]c1[C@@H]1CC[NH2+]C1 ZINC000662408410 412153103 /nfs/dbraw/zinc/15/31/03/412153103.db2.gz RLPQUVTVIXCPMG-SSDOTTSWSA-N 0 3 246.274 0.462 20 0 BCADHN CN(C)C1(CNC(=O)Nc2cccnn2)CC1 ZINC000639798564 412153366 /nfs/dbraw/zinc/15/33/66/412153366.db2.gz HXXHNURAELWMKD-UHFFFAOYSA-N 0 3 235.291 0.692 20 0 BCADHN C[C@@H]1C[C@@H]1c1cc(NC(=O)[C@H]2CCN(C)C2)n[nH]1 ZINC000591450867 412154533 /nfs/dbraw/zinc/15/45/33/412154533.db2.gz YHUOZDCYEQRVNB-UTLUCORTSA-N 0 3 248.330 1.423 20 0 BCADHN CC[C@@H](NC)C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000662410269 412154752 /nfs/dbraw/zinc/15/47/52/412154752.db2.gz XMUJRGZQYTZNGB-DTWKUNHWSA-N 0 3 243.351 0.404 20 0 BCADHN Cn1cnc(NC(=O)NC[C@@H]2CCCN2C)n1 ZINC000626571702 412157163 /nfs/dbraw/zinc/15/71/63/412157163.db2.gz STKADTAURVHPBA-QMMMGPOBSA-N 0 3 238.295 0.031 20 0 BCADHN C[C@@H]1C[C@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2N)n[nH]1 ZINC000567349455 412161456 /nfs/dbraw/zinc/16/14/56/412161456.db2.gz OTEPWLAJNYEJDP-XUTVFYLZSA-N 0 3 220.276 0.819 20 0 BCADHN CN(C)CCn1ccc(NC(=O)C2CCC2)n1 ZINC000338817854 412168507 /nfs/dbraw/zinc/16/85/07/412168507.db2.gz YHIOLKIUXRWJMS-UHFFFAOYSA-N 0 3 236.319 1.183 20 0 BCADHN CC[C@H](O)CCCN[C@@H](C)CS(C)(=O)=O ZINC000336723441 171555924 /nfs/dbraw/zinc/55/59/24/171555924.db2.gz FMNZZXHBTUGQPK-UWVGGRQHSA-N 0 3 237.365 0.560 20 0 BCADHN CC[C@H](N)C(=O)NCCO[C@H]1CC1(F)F ZINC000662645524 412255127 /nfs/dbraw/zinc/25/51/27/412255127.db2.gz JXXGOTURGJDUKT-BQBZGAKWSA-N 0 3 222.235 0.264 20 0 BCADHN CN1CC[C@H](C(=O)Nc2ccn(C)n2)C1 ZINC000523649295 412255293 /nfs/dbraw/zinc/25/52/93/412255293.db2.gz DMWNOMKSYRHQGQ-QMMMGPOBSA-N 0 3 208.265 0.310 20 0 BCADHN CN1CC[C@@H](C(=O)Nc2cc3n(n2)CCCC3)C1 ZINC000334303675 412256906 /nfs/dbraw/zinc/25/69/06/412256906.db2.gz FQOXOLGVSPFHRV-SNVBAGLBSA-N 0 3 248.330 1.110 20 0 BCADHN CC(C)(F)CCNC(=O)C[C@H]1CNCCO1 ZINC000662662519 412262803 /nfs/dbraw/zinc/26/28/03/412262803.db2.gz GGPMFBNSMYJETB-VIFPVBQESA-N 0 3 232.299 0.619 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@]1(C)CC1(F)F ZINC000662665405 412263826 /nfs/dbraw/zinc/26/38/26/412263826.db2.gz IZWZAIVGAYIEHN-HTRCEHHLSA-N 0 3 206.236 0.885 20 0 BCADHN CC[C@@H](N)C(=O)NCc1nccc(OC)c1F ZINC000662668904 412265716 /nfs/dbraw/zinc/26/57/16/412265716.db2.gz SDZHPQSNLCQVQU-SSDOTTSWSA-N 0 3 241.266 0.583 20 0 BCADHN CN[C@@H](C)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000662690196 412267183 /nfs/dbraw/zinc/26/71/83/412267183.db2.gz KOBYWQUZNZLLJE-IQJOONFLSA-N 0 3 212.293 0.089 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000662689407 412271707 /nfs/dbraw/zinc/27/17/07/412271707.db2.gz GIGGCANBWOSFHX-WCABBAIRSA-N 0 3 212.293 0.219 20 0 BCADHN CC(C)NCC(=O)NC[C@@H](C)Cn1ccnc1 ZINC000662688906 412272028 /nfs/dbraw/zinc/27/20/28/412272028.db2.gz RAAIYWKRTWKMEF-LLVKDONJSA-N 0 3 238.335 0.633 20 0 BCADHN C[C@]12COC[C@H]1CN(C(=O)[C@@H](N)C1CCC1)C2 ZINC000662688982 412272169 /nfs/dbraw/zinc/27/21/69/412272169.db2.gz CFDMZNPOUJGUNM-MDZLAQPJSA-N 0 3 238.331 0.609 20 0 BCADHN CC(C)NC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000662737733 412289078 /nfs/dbraw/zinc/28/90/78/412289078.db2.gz PVVGKFWOYDCIBQ-VHSXEESVSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@H]1[C@H](Nc2ccc3nncn3n2)CCCN1C ZINC000450441770 412275327 /nfs/dbraw/zinc/27/53/27/412275327.db2.gz RRUSCXFDHAAORL-VHSXEESVSA-N 0 3 246.318 1.019 20 0 BCADHN O=C(C[C@@H]1CSCCN1)N1CC[C@@H]2C[C@@H]2C1 ZINC000662704452 412276283 /nfs/dbraw/zinc/27/62/83/412276283.db2.gz IIQMBXHZYCDIBP-GMTAPVOTSA-N 0 3 240.372 0.950 20 0 BCADHN N[C@H](C(=O)N1CC[C@@H]2C[C@@H]2C1)C1CCC1 ZINC000662705213 412277822 /nfs/dbraw/zinc/27/78/22/412277822.db2.gz NKFLMTQWDDQAPB-MXWKQRLJSA-N 0 3 208.305 0.982 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662710422 412278103 /nfs/dbraw/zinc/27/81/03/412278103.db2.gz GVJOGZJJWOACKO-BJDJZHNGSA-N 0 3 240.347 0.855 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000662709725 412278936 /nfs/dbraw/zinc/27/89/36/412278936.db2.gz DWIAJVHHTZEECD-BBBLOLIVSA-N 0 3 212.293 0.219 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nn2)C1 ZINC000665355644 412284730 /nfs/dbraw/zinc/28/47/30/412284730.db2.gz DFNJDYISKYLCQG-BXKDBHETSA-N 0 3 248.330 0.855 20 0 BCADHN O=C(NCCc1ncc[nH]1)C1(NC2CC2)CCC1 ZINC000662730774 412286539 /nfs/dbraw/zinc/28/65/39/412286539.db2.gz PDGBMHLDYBZLCH-UHFFFAOYSA-N 0 3 248.330 0.743 20 0 BCADHN CC[C@H](O)CCNC(=O)C1(N)CC2(CCC2)C1 ZINC000662555397 412216594 /nfs/dbraw/zinc/21/65/94/412216594.db2.gz GRTKWUYUQALHLJ-JTQLQIEISA-N 0 3 240.347 0.925 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)Nc1cccnn1 ZINC000643261912 412220724 /nfs/dbraw/zinc/22/07/24/412220724.db2.gz GDGMGJXDLDDLTD-SNVBAGLBSA-N 0 3 249.318 1.035 20 0 BCADHN CCN(C(=O)CNC(C)C)c1cnn(C)c1 ZINC000662584633 412231033 /nfs/dbraw/zinc/23/10/33/412231033.db2.gz DIWWGIIWGORGPX-UHFFFAOYSA-N 0 3 224.308 0.771 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](N)COC(C)C)n[nH]1 ZINC000662590654 412232366 /nfs/dbraw/zinc/23/23/66/412232366.db2.gz RPKFBICSLFXXAV-JTQLQIEISA-N 0 3 240.307 0.087 20 0 BCADHN O=C1NCC[C@H]1N1CC[C@H](C2CCC2)C1 ZINC000665288538 412234602 /nfs/dbraw/zinc/23/46/02/412234602.db2.gz PVAZIZSYAIVTBP-WDEREUQCSA-N 0 3 208.305 0.997 20 0 BCADHN CO[C@H](C)[C@@H](C)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665291566 412238114 /nfs/dbraw/zinc/23/81/14/412238114.db2.gz FWYJTOQRNQYORJ-HTQZYQBOSA-N 0 3 240.307 0.154 20 0 BCADHN Nc1cccc(CNC(=O)C[C@H]2CNCCO2)c1 ZINC000662613574 412242082 /nfs/dbraw/zinc/24/20/82/412242082.db2.gz IXCLTWQZQWGIPL-LBPRGKRZSA-N 0 3 249.314 0.264 20 0 BCADHN COc1ccc(CN(C)C(=O)[C@H](C)N)cn1 ZINC000662619943 412244654 /nfs/dbraw/zinc/24/46/54/412244654.db2.gz RGZVDWBCELCUTM-QMMMGPOBSA-N 0 3 223.276 0.396 20 0 BCADHN CC[C@@H](NC)C(=O)N1CCN(C)C(=O)C1(C)C ZINC000662625908 412246367 /nfs/dbraw/zinc/24/63/67/412246367.db2.gz BKGFXZCRLBJJJQ-SECBINFHSA-N 0 3 241.335 0.064 20 0 BCADHN CC(C)Cc1cc(NC(=O)[C@@H]2C[C@@H]2N)n[nH]1 ZINC000578235426 412288334 /nfs/dbraw/zinc/28/83/34/412288334.db2.gz CEPPHACGVMKPCS-BDAKNGLRSA-N 0 3 222.292 0.894 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000662639671 412252436 /nfs/dbraw/zinc/25/24/36/412252436.db2.gz MRAYFNABTLOWSU-RTXFEEFZSA-N 0 3 240.347 0.855 20 0 BCADHN CN1CCC[C@H]1CNc1cc(C#N)ncn1 ZINC000380552920 412252760 /nfs/dbraw/zinc/25/27/60/412252760.db2.gz KIYGURBUXOHWOO-JTQLQIEISA-N 0 3 217.276 0.854 20 0 BCADHN CC[C@H]1CN(CC(=O)N(C)CC)C[C@H]1O ZINC000341018592 171654240 /nfs/dbraw/zinc/65/42/40/171654240.db2.gz WLCPGISJZNFCIJ-VHSXEESVSA-N 0 3 214.309 0.167 20 0 BCADHN CNc1cc2c(nn1)CCN(CCCOC)C2 ZINC000591867297 412306758 /nfs/dbraw/zinc/30/67/58/412306758.db2.gz DRJLAYKQOXZVCM-UHFFFAOYSA-N 0 3 236.319 0.913 20 0 BCADHN CNc1ccc(C(=O)N2CCNC(C)(C)C2)cn1 ZINC000353565089 412307273 /nfs/dbraw/zinc/30/72/73/412307273.db2.gz FMBFAMIKGNECPO-UHFFFAOYSA-N 0 3 248.330 0.947 20 0 BCADHN CNc1ccc(NC(=O)[C@@H]2C[C@@H](C)CCN2)cn1 ZINC000417858148 412311841 /nfs/dbraw/zinc/31/18/41/412311841.db2.gz UUPJBUUDCFDGDR-ONGXEEELSA-N 0 3 248.330 1.450 20 0 BCADHN CNc1ccc(NC(=O)[C@@H]2C[C@H](C)CCN2)cn1 ZINC000417858142 412312020 /nfs/dbraw/zinc/31/20/20/412312020.db2.gz UUPJBUUDCFDGDR-KOLCDFICSA-N 0 3 248.330 1.450 20 0 BCADHN CN(C)CCN(C)C(=O)N[C@@H]1COC(C)(C)C1 ZINC000665408547 412313282 /nfs/dbraw/zinc/31/32/82/412313282.db2.gz MVGIFPZNNIFABV-JTQLQIEISA-N 0 3 243.351 0.757 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000662835272 412315551 /nfs/dbraw/zinc/31/55/51/412315551.db2.gz LVCAARYWXJGGAE-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN Cc1cc(C)nc(NC[C@H]2CSCCN2)n1 ZINC000641688017 412316666 /nfs/dbraw/zinc/31/66/66/412316666.db2.gz VQWLYKROPDUAEM-JTQLQIEISA-N 0 3 238.360 1.210 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)C1(N)CCCC1 ZINC000662839156 412317034 /nfs/dbraw/zinc/31/70/34/412317034.db2.gz ORLCBTAQZGSGJO-UHFFFAOYSA-N 0 3 222.292 0.640 20 0 BCADHN O=C(CNCC1CC1)Nc1cc(C2CC2)[nH]n1 ZINC000583141030 412317568 /nfs/dbraw/zinc/31/75/68/412317568.db2.gz HDBMCYJONYNEHR-UHFFFAOYSA-N 0 3 234.303 1.225 20 0 BCADHN NCC(=O)NCCc1noc2ccccc12 ZINC000662842031 412318654 /nfs/dbraw/zinc/31/86/54/412318654.db2.gz LTLDKOMWOBWSFC-UHFFFAOYSA-N 0 3 219.244 0.445 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H](CO)C1CCC1 ZINC000662850792 412322128 /nfs/dbraw/zinc/32/21/28/412322128.db2.gz WHUWKWWODWQEGA-VHSXEESVSA-N 0 3 214.309 0.247 20 0 BCADHN CNCC(=O)NCc1cnccc1C(F)(F)F ZINC000663003238 412366749 /nfs/dbraw/zinc/36/67/49/412366749.db2.gz XEGABTKNDSAXBX-UHFFFAOYSA-N 0 3 247.220 0.936 20 0 BCADHN Cc1cc(NC(=O)/C=C/CN(C)C)nn1C ZINC000492205481 412322553 /nfs/dbraw/zinc/32/25/53/412322553.db2.gz VBXMXZUQJJHCHW-AATRIKPKSA-N 0 3 222.292 0.785 20 0 BCADHN O=C(N[C@@H](CO)C1CCC1)[C@H]1CCCCN1 ZINC000662851329 412322910 /nfs/dbraw/zinc/32/29/10/412322910.db2.gz YWKDSHZPHAGGFM-MNOVXSKESA-N 0 3 226.320 0.406 20 0 BCADHN CC[C@@H](COCC1CC1)NC(=O)CN ZINC000662852155 412322937 /nfs/dbraw/zinc/32/29/37/412322937.db2.gz IGAZBKKUJSPJRF-VIFPVBQESA-N 0 3 200.282 0.267 20 0 BCADHN CC[C@H](COCC1CC1)NC(=O)CN ZINC000662852154 412323469 /nfs/dbraw/zinc/32/34/69/412323469.db2.gz IGAZBKKUJSPJRF-SECBINFHSA-N 0 3 200.282 0.267 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](CO)C1CCC1 ZINC000662855587 412325267 /nfs/dbraw/zinc/32/52/67/412325267.db2.gz XVWGQOCGYNTURJ-BDAKNGLRSA-N 0 3 200.282 0.001 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NC/C=C\CO ZINC000662855986 412325290 /nfs/dbraw/zinc/32/52/90/412325290.db2.gz LVARFTLILBXIIJ-PULIVWKDSA-N 0 3 200.282 0.025 20 0 BCADHN O=C(NC/C=C\CO)c1ccc2c(c1)CNC2 ZINC000662856538 412326959 /nfs/dbraw/zinc/32/69/59/412326959.db2.gz WNKOJEUOKYJYAZ-UPHRSURJSA-N 0 3 232.283 0.568 20 0 BCADHN O=C(NCCO[C@@H]1CC1(F)F)[C@H]1CCCCN1 ZINC000662861852 412327994 /nfs/dbraw/zinc/32/79/94/412327994.db2.gz VZTAETZVQRITLJ-RKDXNWHRSA-N 0 3 248.273 0.669 20 0 BCADHN COC[C@@H](NC(=O)CN)c1cccc(OC)c1 ZINC000662859279 412328112 /nfs/dbraw/zinc/32/81/12/412328112.db2.gz PLXTZNCKVRPTTN-LLVKDONJSA-N 0 3 238.287 0.458 20 0 BCADHN C[C@H](N)C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000662873904 412331827 /nfs/dbraw/zinc/33/18/27/412331827.db2.gz SVIFFWYWVNFCAN-XHNCKOQMSA-N 0 3 200.282 0.407 20 0 BCADHN Cn1cc(C[C@H]2CCC[C@H]2NC(=O)CN)cn1 ZINC000662884640 412335302 /nfs/dbraw/zinc/33/53/02/412335302.db2.gz YBPJTPDWZGNGIU-GHMZBOCLSA-N 0 3 236.319 0.206 20 0 BCADHN CC(F)(F)CNC(=O)CNC[C@H]1CCCO1 ZINC000662897099 412337310 /nfs/dbraw/zinc/33/73/10/412337310.db2.gz CSKKNRLRRIXIAV-MRVPVSSYSA-N 0 3 236.262 0.526 20 0 BCADHN CCC1(O)CN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000665495396 412337673 /nfs/dbraw/zinc/33/76/73/412337673.db2.gz ZJPDIZCHQDWYIC-SNVBAGLBSA-N 0 3 228.336 0.556 20 0 BCADHN NCC(=O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000662891909 412337851 /nfs/dbraw/zinc/33/78/51/412337851.db2.gz UZINNGJBAQUWSI-NSHDSACASA-N 0 3 226.320 0.753 20 0 BCADHN CC(F)(F)CNC(=O)CCOC1CNC1 ZINC000662896999 412338189 /nfs/dbraw/zinc/33/81/89/412338189.db2.gz AOJJECCJEPDFOE-UHFFFAOYSA-N 0 3 222.235 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CCN1CCC[C@H]1CNC(=O)[C@@H](O)C1CC1 ZINC000665529594 412347949 /nfs/dbraw/zinc/34/79/49/412347949.db2.gz PDIMWCZTFFJKGQ-QWRGUYRKSA-N 0 3 226.320 0.358 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000665529746 412348447 /nfs/dbraw/zinc/34/84/47/412348447.db2.gz TTZOVDDWBXPXHZ-NNYUYHANSA-N 0 3 238.331 0.479 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1nccnc1C ZINC000665529520 412348456 /nfs/dbraw/zinc/34/84/56/412348456.db2.gz MNTISEJXUQLAJI-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@H](COC)OC ZINC000665529788 412348522 /nfs/dbraw/zinc/34/85/22/412348522.db2.gz UTZRPIYPEKWSJG-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN O=C(NCCN1CCCC1)c1ncc[nH]1 ZINC000665531897 412349424 /nfs/dbraw/zinc/34/94/24/412349424.db2.gz SPCBNLLBZIQRQF-UHFFFAOYSA-N 0 3 208.265 0.235 20 0 BCADHN O=C(NCCN1CCCC1)c1cnc2n1CCC2 ZINC000665531497 412350271 /nfs/dbraw/zinc/35/02/71/412350271.db2.gz BWYXOKCTPUTIIO-UHFFFAOYSA-N 0 3 248.330 0.655 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)ncn1 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/nfs/dbraw/zinc/35/19/15/174351915.db2.gz IQGPNSSZIXGFJN-NSHDSACASA-N 0 3 217.309 0.760 20 0 BCADHN COCCOCCNC(=O)[C@@H](N)CC(C)C ZINC000044727229 174356172 /nfs/dbraw/zinc/35/61/72/174356172.db2.gz PYRVDLMGBOSXOG-JTQLQIEISA-N 0 3 232.324 0.139 20 0 BCADHN COCCOCCN[C@H](CO)c1ccccc1 ZINC000070480787 174358531 /nfs/dbraw/zinc/35/85/31/174358531.db2.gz MVOVINRJDYQDIR-CYBMUJFWSA-N 0 3 239.315 0.973 20 0 BCADHN COCCOCCN[C@H](C)c1cnn(C)c1 ZINC000044694551 174358645 /nfs/dbraw/zinc/35/86/45/174358645.db2.gz PIAINSGLXRDKDX-SNVBAGLBSA-N 0 3 227.308 0.734 20 0 BCADHN COCCOC[C@@H](C)NC(=O)[C@H](N)C(C)C ZINC000353726049 174361661 /nfs/dbraw/zinc/36/16/61/174361661.db2.gz RKEZLPNWTXYQHJ-NXEZZACHSA-N 0 3 232.324 0.137 20 0 BCADHN COCCO[C@@H]1CCN(Cc2[nH]ncc2C)C1 ZINC000291574189 174365642 /nfs/dbraw/zinc/36/56/42/174365642.db2.gz OELAVTDIIBXJDS-LLVKDONJSA-N 0 3 239.319 0.955 20 0 BCADHN COCCO[C@@H]1CCN(CCC[C@H](C)O)C1 ZINC000355282276 174365778 /nfs/dbraw/zinc/36/57/78/174365778.db2.gz RNLQLWXVBADNMR-NWDGAFQWSA-N 0 3 231.336 0.885 20 0 BCADHN COCCO[C@H]1CCN(CCC[C@@H](C)O)C1 ZINC000355282272 174367100 /nfs/dbraw/zinc/36/71/00/174367100.db2.gz RNLQLWXVBADNMR-NEPJUHHUSA-N 0 3 231.336 0.885 20 0 BCADHN COCCOc1cccc(CNC(=O)CN)c1 ZINC000237117898 174369665 /nfs/dbraw/zinc/36/96/65/174369665.db2.gz GWNPAGYGYKEBIT-UHFFFAOYSA-N 0 3 238.287 0.287 20 0 BCADHN COCCSCCCN(C)[C@@H]1COC[C@@H]1O ZINC000352814197 174373653 /nfs/dbraw/zinc/37/36/53/174373653.db2.gz GQZJCXABWVFXNN-MNOVXSKESA-N 0 3 249.376 0.448 20 0 BCADHN COCC[C@@H](CO)NCc1ccnn1C(C)C ZINC000282311075 174388871 /nfs/dbraw/zinc/38/88/71/174388871.db2.gz SJKBFNNUASYOMT-NSHDSACASA-N 0 3 241.335 0.951 20 0 BCADHN COCC[C@@H](CO)NCc1ccc(C)nc1 ZINC000300925132 174389078 /nfs/dbraw/zinc/38/90/78/174389078.db2.gz UJUJTJBLGIVJPK-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN COCC[C@@H](CO)NCc1ccc(C)cn1 ZINC000300773709 174389430 /nfs/dbraw/zinc/38/94/30/174389430.db2.gz AEFHYDCOWQYBQP-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN COCC[C@@H](CO)NCc1cccnc1C ZINC000309279291 174389532 /nfs/dbraw/zinc/38/95/32/174389532.db2.gz UAAYUQNBEHYESM-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN COCC[C@@H](COC)NC(=O)CN(C)C(C)C ZINC000359520763 174390710 /nfs/dbraw/zinc/39/07/10/174390710.db2.gz USCDLPHRPCZFPW-NSHDSACASA-N 0 3 246.351 0.494 20 0 BCADHN COCC[C@@H](N)C(=O)N1CCC[C@@H](C)C1 ZINC000052790667 174391831 /nfs/dbraw/zinc/39/18/31/174391831.db2.gz KWKBHWJRLWDLEJ-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN COCC[C@@H](N)C(=O)N1CCC[C@H]1C ZINC000052809162 174391914 /nfs/dbraw/zinc/39/19/14/174391914.db2.gz RZAWGVDQHDPGEC-RKDXNWHRSA-N 0 3 200.282 0.361 20 0 BCADHN COCC[C@@H](COC)NCc1cncnc1 ZINC000309390244 174392079 /nfs/dbraw/zinc/39/20/79/174392079.db2.gz SVBNGCGBNGAIRF-NSHDSACASA-N 0 3 225.292 0.618 20 0 BCADHN COCC[C@@H](N)C(=O)NCc1cccc(C)c1 ZINC000052808002 174392235 /nfs/dbraw/zinc/39/22/35/174392235.db2.gz DBJZCQHDOWKYIC-GFCCVEGCSA-N 0 3 236.315 0.975 20 0 BCADHN COCC[C@H](CO)NCc1cnn2ccccc12 ZINC000282053502 174412343 /nfs/dbraw/zinc/41/23/43/174412343.db2.gz AXOPMVUZQTYXKV-GFCCVEGCSA-N 0 3 249.314 0.821 20 0 BCADHN COCC[C@H](COC)NCc1cn(C)nc1C ZINC000310130934 174414068 /nfs/dbraw/zinc/41/40/68/174414068.db2.gz AMYDDPUGTPXYKH-GFCCVEGCSA-N 0 3 241.335 0.870 20 0 BCADHN COCC[C@H](COC)NCc1cncn1C ZINC000336649168 174414085 /nfs/dbraw/zinc/41/40/85/174414085.db2.gz DAMNQTAJSFTYDJ-SNVBAGLBSA-N 0 3 227.308 0.561 20 0 BCADHN COC[C@@H](C)NC[C@@](C)(O)C(F)(F)F ZINC000308610327 174457929 /nfs/dbraw/zinc/45/79/29/174457929.db2.gz LQNOMDUQAFADDV-RNFRBKRXSA-N 0 3 215.215 0.924 20 0 BCADHN COC[C@@H](CO)NCc1sc(C)nc1C ZINC000234875606 174476527 /nfs/dbraw/zinc/47/65/27/174476527.db2.gz FJXZTSOMKBRUOT-SECBINFHSA-N 0 3 230.333 0.857 20 0 BCADHN COC[C@@H](O)CNCc1cccc(F)c1 ZINC000070558671 174497413 /nfs/dbraw/zinc/49/74/13/174497413.db2.gz IPLGRCFDUGMUGC-NSHDSACASA-N 0 3 213.252 0.923 20 0 BCADHN COC[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC000359256872 174531663 /nfs/dbraw/zinc/53/16/63/174531663.db2.gz ZXUGHVFGVGSGKY-MNOVXSKESA-N 0 3 230.352 0.971 20 0 BCADHN COC[C@H](CO)N[C@H](C)[C@@H]1CCCO1 ZINC000308712450 174571240 /nfs/dbraw/zinc/57/12/40/174571240.db2.gz ZNFJFBVXYUJDRB-UTLUCORTSA-N 0 3 203.282 0.151 20 0 BCADHN COC[C@H](NC[C@H](C)S(C)(=O)=O)C1CC1 ZINC000336752349 174582007 /nfs/dbraw/zinc/58/20/07/174582007.db2.gz GFVFZAIRZNTWIU-WPRPVWTQSA-N 0 3 235.349 0.434 20 0 BCADHN CCCCN(CC(N)=O)C(=O)CNC(C)C ZINC000037812853 487629255 /nfs/dbraw/zinc/62/92/55/487629255.db2.gz ITIQCRYGLZYSGV-UHFFFAOYSA-N 0 3 229.324 0.098 20 0 BCADHN CO[C@H](CN)C(=O)N1CCCCC[C@H]1C ZINC000227385282 174857382 /nfs/dbraw/zinc/85/73/82/174857382.db2.gz MWASPMYJNTWGPF-NXEZZACHSA-N 0 3 214.309 0.751 20 0 BCADHN CO[C@H](CN)C(=O)N(C)c1cccnc1 ZINC000227385120 174857616 /nfs/dbraw/zinc/85/76/16/174857616.db2.gz DFBITGDEEWUHOR-SECBINFHSA-N 0 3 209.249 0.018 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000227380561 174859664 /nfs/dbraw/zinc/85/96/64/174859664.db2.gz FRKBAYGIIANDTK-CHWSQXEVSA-N 0 3 248.326 0.634 20 0 BCADHN COc1ccc(C(=O)NCC[NH3+])c([O-])c1 ZINC000019482339 175060256 /nfs/dbraw/zinc/06/02/56/175060256.db2.gz ZWRLJZCARFVTLS-UHFFFAOYSA-N 0 3 210.233 0.089 20 0 BCADHN COc1ccc(C(=O)NCCN(C)C)nc1 ZINC000359855017 175060318 /nfs/dbraw/zinc/06/03/18/175060318.db2.gz WYBYIWYQECTBPB-UHFFFAOYSA-N 0 3 223.276 0.382 20 0 BCADHN COc1ccc(C)cc1NC(=O)[C@H](CN)OC ZINC000227343642 175077941 /nfs/dbraw/zinc/07/79/41/175077941.db2.gz XABJZBQIKGTWQE-NSHDSACASA-N 0 3 238.287 0.916 20 0 BCADHN COc1ccc(CN(C)C[C@H]2CCOC2)nn1 ZINC000338317279 175095316 /nfs/dbraw/zinc/09/53/16/175095316.db2.gz PUMULNVNAHESKA-SNVBAGLBSA-N 0 3 237.303 0.954 20 0 BCADHN COc1ccc(CNC(=O)CN)cc1F ZINC000057496663 175103831 /nfs/dbraw/zinc/10/38/31/175103831.db2.gz XJEMOGPQLIKLJO-UHFFFAOYSA-N 0 3 212.224 0.409 20 0 BCADHN COc1ccc(CNC(=O)[C@@H](C)N)cc1OC ZINC000035139591 175104945 /nfs/dbraw/zinc/10/49/45/175104945.db2.gz KXSKOQRDGZUIDV-MRVPVSSYSA-N 0 3 238.287 0.667 20 0 BCADHN COc1ccc(CN[C@@H](C)CO)cc1O ZINC000035603705 175109538 /nfs/dbraw/zinc/10/95/38/175109538.db2.gz QIODMCQQMJGGEG-QMMMGPOBSA-N 0 3 211.261 0.871 20 0 BCADHN COc1ccc(CN[C@H](CO)C(C)C)nn1 ZINC000283004204 175111354 /nfs/dbraw/zinc/11/13/54/175111354.db2.gz FWIJRSRHTOKGMV-SNVBAGLBSA-N 0 3 225.292 0.592 20 0 BCADHN CCN(C[C@@H]1CCOC1)C(=O)CNC(C)C ZINC000037827274 487629909 /nfs/dbraw/zinc/62/99/09/487629909.db2.gz KJRKSMVCOFQSJY-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN COc1ccc(NC(=O)[C@@H](CN)OC)cc1 ZINC000227341375 175145972 /nfs/dbraw/zinc/14/59/72/175145972.db2.gz YBVGOLBSIOONRC-SNVBAGLBSA-N 0 3 224.260 0.607 20 0 BCADHN COc1ccc([C@@H](CN(C)C)NC(N)=O)cc1 ZINC000284017720 175178426 /nfs/dbraw/zinc/17/84/26/175178426.db2.gz NJRROUYBYGZYMW-LLVKDONJSA-N 0 3 237.303 0.966 20 0 BCADHN CCN(C[C@H]1CCOC1)C(=O)CNC(C)C ZINC000037827275 487630080 /nfs/dbraw/zinc/63/00/80/487630080.db2.gz KJRKSMVCOFQSJY-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN COc1cccc(C(=O)NC(C)(C)C[NH3+])c1[O-] ZINC000063020298 175244237 /nfs/dbraw/zinc/24/42/37/175244237.db2.gz AHXASJTXVISKFH-UHFFFAOYSA-N 0 3 238.287 0.868 20 0 BCADHN COc1cccc(CNC(CO)CO)c1 ZINC000083690504 175263711 /nfs/dbraw/zinc/26/37/11/175263711.db2.gz CPNXFEZMHNCJDC-UHFFFAOYSA-N 0 3 211.261 0.138 20 0 BCADHN COc1cccc(CNC(C)(C)CO)n1 ZINC000069637552 175263825 /nfs/dbraw/zinc/26/38/25/175263825.db2.gz JMHGFYPQGMIADO-UHFFFAOYSA-N 0 3 210.277 0.951 20 0 BCADHN COc1cccc(CNC[C@]2(O)CCOC2)c1 ZINC000229642412 175265195 /nfs/dbraw/zinc/26/51/95/175265195.db2.gz ZLMDBNFEAYQWHD-CYBMUJFWSA-N 0 3 237.299 0.936 20 0 BCADHN COc1cccc(CN[C@@H](C)CCO)n1 ZINC000133081815 175265765 /nfs/dbraw/zinc/26/57/65/175265765.db2.gz DJSNXNCFQRSCJB-VIFPVBQESA-N 0 3 210.277 0.951 20 0 BCADHN COc1cccc(CNC[C@]2(O)CCOC2)n1 ZINC000191484247 175265931 /nfs/dbraw/zinc/26/59/31/175265931.db2.gz GVDGOFHHDPKCDX-GFCCVEGCSA-N 0 3 238.287 0.331 20 0 BCADHN COc1cccc(N2CC[C@@H](NC(=O)CN)C2)c1 ZINC000269257626 175275499 /nfs/dbraw/zinc/27/54/99/175275499.db2.gz UAPCQXQPGOBMFI-SNVBAGLBSA-N 0 3 249.314 0.349 20 0 BCADHN COc1cccc(NC(=O)[C@@H](CN)OC)c1 ZINC000227345175 175277381 /nfs/dbraw/zinc/27/73/81/175277381.db2.gz DHNDGSFXJOGESI-SNVBAGLBSA-N 0 3 224.260 0.607 20 0 BCADHN COc1cccc([C@@H](C)N2C[C@@H](O)[C@@H](O)C2)c1 ZINC000331282113 175286848 /nfs/dbraw/zinc/28/68/48/175286848.db2.gz CZWHFOOOMGKLRA-WQAKAFBOSA-N 0 3 237.299 0.794 20 0 BCADHN COc1ccccc1N1CC[C@H](NC(=O)CN)C1 ZINC000178830213 175335530 /nfs/dbraw/zinc/33/55/30/175335530.db2.gz UIUONYGHUSUZSV-JTQLQIEISA-N 0 3 249.314 0.349 20 0 BCADHN COc1ccnc(N[C@@H](C)CN(C)C)n1 ZINC000166546697 175367285 /nfs/dbraw/zinc/36/72/85/175367285.db2.gz NNKQNJGZOKAGIR-QMMMGPOBSA-N 0 3 210.281 0.847 20 0 BCADHN COc1ccncc1NC(=O)C(C)(C)N ZINC000237112608 175375645 /nfs/dbraw/zinc/37/56/45/175375645.db2.gz IEOIETMXSLUFIK-UHFFFAOYSA-N 0 3 209.249 0.766 20 0 BCADHN COc1cncc(CN2CC[C@](C)(C(N)=O)C2)c1 ZINC000289157460 175385561 /nfs/dbraw/zinc/38/55/61/175385561.db2.gz DKMZIGJCPIKCAC-ZDUSSCGKSA-N 0 3 249.314 0.788 20 0 BCADHN COc1ncc(CNC[C@H](C)O)s1 ZINC000045205423 175399131 /nfs/dbraw/zinc/39/91/31/175399131.db2.gz NOZJXSVVKRCKOE-LURJTMIESA-N 0 3 202.279 0.622 20 0 BCADHN CS(=O)(=O)CCN[C@@H]1CCSC1 ZINC000037740410 175423631 /nfs/dbraw/zinc/42/36/31/175423631.db2.gz FDPNKTYEYKNSQJ-SSDOTTSWSA-N 0 3 209.336 0.126 20 0 BCADHN CN(C)Cc1ccccc1NC(=O)[C@H]1CC(=O)N1 ZINC000666271889 487630862 /nfs/dbraw/zinc/63/08/62/487630862.db2.gz JXDIVYZLBWPCNU-LLVKDONJSA-N 0 3 247.298 0.575 20 0 BCADHN CSCC[C@@H](CO)NCc1cnc(C)nc1 ZINC000336717930 175503573 /nfs/dbraw/zinc/50/35/73/175503573.db2.gz XDAXKMSEUHUZKY-NSHDSACASA-N 0 3 241.360 0.989 20 0 BCADHN CSc1ccc(CNC[C@@H](O)CO)cc1 ZINC000083355603 175575208 /nfs/dbraw/zinc/57/52/08/175575208.db2.gz PXAXYXCRTADUKD-SNVBAGLBSA-N 0 3 227.329 0.851 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H](C)[C@H](O)C1 ZINC000351807439 175609184 /nfs/dbraw/zinc/60/91/84/175609184.db2.gz HNPRWKJZGRQTPG-KXUCPTDWSA-N 0 3 228.336 0.602 20 0 BCADHN CC(C)OC[C@@H](O)CNC[C@@H](O)C(F)(F)F ZINC000232676533 487631248 /nfs/dbraw/zinc/63/12/48/487631248.db2.gz TZWAYRZSOHUGRO-JGVFFNPUSA-N 0 3 245.241 0.285 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000082255910 175798466 /nfs/dbraw/zinc/79/84/66/175798466.db2.gz JHTBHHYNDRCQTA-GMSGAONNSA-N 0 3 242.706 0.837 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000375080458 175799691 /nfs/dbraw/zinc/79/96/91/175799691.db2.gz KVDSMBNXNZKDLH-DBIOUOCHSA-N 0 3 238.331 0.798 20 0 BCADHN C[C@@H](N)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000037041559 175801091 /nfs/dbraw/zinc/80/10/91/175801091.db2.gz VOQLOVILIAFREG-PSASIEDQSA-N 0 3 238.291 0.348 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)CC(F)F)C1CC1 ZINC000308643612 175842876 /nfs/dbraw/zinc/84/28/76/175842876.db2.gz FPNIFLXJACDQCG-VDTYLAMSSA-N 0 3 206.236 0.884 20 0 BCADHN C[C@@H](NC(=O)[C@@]1(C)CCCCN1)c1ncon1 ZINC000125488010 175844245 /nfs/dbraw/zinc/84/42/45/175844245.db2.gz NOJYYOMFEIQLJH-LDYMZIIASA-N 0 3 238.291 0.779 20 0 BCADHN C[C@@H](O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000331403738 175941485 /nfs/dbraw/zinc/94/14/85/175941485.db2.gz AOOUBYGWMBCSGU-KOLCDFICSA-N 0 3 226.320 0.500 20 0 BCADHN C[C@@H](c1nnnn1C)N(C)CCN1CCCC1 ZINC000329876768 176040520 /nfs/dbraw/zinc/04/05/20/176040520.db2.gz IIKBRWVKHJZBHI-JTQLQIEISA-N 0 3 238.339 0.299 20 0 BCADHN C[C@@H]1CC(=O)NCCN1CC[C@H]1CCCO1 ZINC000364279709 176049071 /nfs/dbraw/zinc/04/90/71/176049071.db2.gz HRFSQPKWHYIISD-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CC(=O)NCCN1C[C@H]1CCSC1 ZINC000367669420 176049654 /nfs/dbraw/zinc/04/96/54/176049654.db2.gz KSRHFZAIKZEPAF-NXEZZACHSA-N 0 3 228.361 0.950 20 0 BCADHN C[C@@H]1CCCN(CC(=O)N2CCOCC2)C1 ZINC000041362764 176096645 /nfs/dbraw/zinc/09/66/45/176096645.db2.gz BAQIGZLMGQCMQT-LLVKDONJSA-N 0 3 226.320 0.577 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)[C@@H]2CCOC2)C1 ZINC000066917129 176097975 /nfs/dbraw/zinc/09/79/75/176097975.db2.gz SCXFPLMLCLJVNB-VXGBXAGGSA-N 0 3 240.347 0.871 20 0 BCADHN C[C@@H]1CCC[C@H](CO)N1CC(=O)N1CCCC1 ZINC000305866273 176139613 /nfs/dbraw/zinc/13/96/13/176139613.db2.gz NBLZNTCNHGDNOX-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H]1CCC[C@H](NC(=O)C(=O)NCCN)CC1 ZINC000235255770 176141699 /nfs/dbraw/zinc/14/16/99/176141699.db2.gz GFEURUJSRUPQCS-ZJUUUORDSA-N 0 3 241.335 0.146 20 0 BCADHN CC(C(=O)NC[C@@H]1CCC[C@H]1C)S(C)(=O)=O ZINC000339512966 176148370 /nfs/dbraw/zinc/14/83/70/176148370.db2.gz NXQHXISYMHFLSF-BBBLOLIVSA-N 0 3 247.360 0.972 20 0 BCADHN C[C@@H]1CCC[C@]1(O)CNCc1cnnn1C ZINC000328151121 176153238 /nfs/dbraw/zinc/15/32/38/176153238.db2.gz FGTODWNUVUSRKX-KOLCDFICSA-N 0 3 224.308 0.456 20 0 BCADHN C[C@@H]1CCN([C@H]2COC[C@@H]2O)CCS1 ZINC000306665835 176180008 /nfs/dbraw/zinc/18/00/08/176180008.db2.gz UJHZGLDJESSZLE-UTLUCORTSA-N 0 3 217.334 0.574 20 0 BCADHN C[C@@H]1CCN(Cc2cncn2C)[C@@H]1CO ZINC000189732883 176177307 /nfs/dbraw/zinc/17/73/07/176177307.db2.gz WLVMFLVODGVDRF-MWLCHTKSSA-N 0 3 209.293 0.623 20 0 BCADHN C[C@@H]1CCN(Cc2ccnn2C)[C@@H]1CO ZINC000190355816 176177981 /nfs/dbraw/zinc/17/79/81/176177981.db2.gz VGFDAIHUQCZTDE-MWLCHTKSSA-N 0 3 209.293 0.623 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@@H](O)c1ccccc1 ZINC000282308338 176183643 /nfs/dbraw/zinc/18/36/43/176183643.db2.gz KEQWATBCNPQLGS-RAIGVLPGSA-N 0 3 248.326 0.834 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccn(C)c1 ZINC000282206777 176184041 /nfs/dbraw/zinc/18/40/41/176184041.db2.gz CYVJIAJJMQTCLO-MWLCHTKSSA-N 0 3 221.304 0.639 20 0 BCADHN C[C@@H]1CCNC[C@@H]1NS(=O)(=O)CC1CCC1 ZINC000335586572 176184959 /nfs/dbraw/zinc/18/49/59/176184959.db2.gz LWNSZWSOXVHCIO-KOLCDFICSA-N 0 3 246.376 0.704 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N[C@H]2CCCC[C@@H]2O)C1 ZINC000227322140 176186035 /nfs/dbraw/zinc/18/60/35/176186035.db2.gz SACIPTMKTSJGBH-KXNHARMFSA-N 0 3 240.347 0.794 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)Nc2ccc(=O)n(C)c2)C1 ZINC000126528629 176186478 /nfs/dbraw/zinc/18/64/78/176186478.db2.gz WGUBHRDSULVCEO-MWLCHTKSSA-N 0 3 249.314 0.712 20 0 BCADHN C[C@@H]1COCCN1CCN1CCOCC[C@H]1C ZINC000369191621 176188245 /nfs/dbraw/zinc/18/82/45/176188245.db2.gz BDBHDGQUGBLJTL-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@H]1CCOCCN1CCn1cccn1 ZINC000362240442 176188643 /nfs/dbraw/zinc/18/86/43/176188643.db2.gz VODZHXHGQASENK-LLVKDONJSA-N 0 3 209.293 0.994 20 0 BCADHN C[C@@H]1CCOCCN1C[C@H](O)Cn1cccn1 ZINC000367633728 176189350 /nfs/dbraw/zinc/18/93/50/176189350.db2.gz MYUFLEATTDVAQP-NEPJUHHUSA-N 0 3 239.319 0.355 20 0 BCADHN C[C@@H]1CCSCCN1CCN1CCNC1=O ZINC000336626469 176193237 /nfs/dbraw/zinc/19/32/37/176193237.db2.gz LOMIIVLRSAKTSD-SNVBAGLBSA-N 0 3 243.376 0.839 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCOCC1 ZINC000120140177 176198556 /nfs/dbraw/zinc/19/85/56/176198556.db2.gz QGXFAMKNEFSREU-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H]1CC[C@@H](CC(=O)NC[C@H]2CNCCO2)C1 ZINC000333345803 176200823 /nfs/dbraw/zinc/20/08/23/176200823.db2.gz ZFQICWZLHPWCOT-IJLUTSLNSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@@H]1CC[C@@H](CN(CCO)CCCO)O1 ZINC000354885738 176202185 /nfs/dbraw/zinc/20/21/85/176202185.db2.gz GOBJBNBYMPPFNY-MNOVXSKESA-N 0 3 217.309 0.231 20 0 BCADHN C[C@@H]1CC[C@H](CN(CCO)CCCO)O1 ZINC000354885736 176224548 /nfs/dbraw/zinc/22/45/48/176224548.db2.gz GOBJBNBYMPPFNY-GHMZBOCLSA-N 0 3 217.309 0.231 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCSC[C@@H]2CO)O1 ZINC000354708046 176225084 /nfs/dbraw/zinc/22/50/84/176225084.db2.gz ATRVBUQWQZWSAS-OUAUKWLOSA-N 0 3 231.361 0.964 20 0 BCADHN C[C@@H]1CC[C@H](N(CCO)CC(=O)NC2CC2)C1 ZINC000331683359 176228952 /nfs/dbraw/zinc/22/89/52/176228952.db2.gz QODGHNLIFSUETD-PWSUYJOCSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C/CN(C)C)CCC1=O ZINC000281683465 176241494 /nfs/dbraw/zinc/24/14/94/176241494.db2.gz UUZRJOQESJFEBZ-ORAHPGNNSA-N 0 3 224.304 0.542 20 0 BCADHN C[C@@H]1CN(C(=O)CN)C[C@@H](c2ccsc2)O1 ZINC000237420621 176246480 /nfs/dbraw/zinc/24/64/80/176246480.db2.gz LTFIQIHCAASOJY-SCZZXKLOSA-N 0 3 240.328 0.995 20 0 BCADHN C[C@@H]1CN(C(=O)Cn2cccn2)[C@H](C)CN1 ZINC000083118213 176249567 /nfs/dbraw/zinc/24/95/67/176249567.db2.gz TVSJKEZMTBDEGI-NXEZZACHSA-N 0 3 222.292 0.092 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)CCO1 ZINC000336699770 176253702 /nfs/dbraw/zinc/25/37/02/176253702.db2.gz OWMZFGIJMCQBSF-RQJHMYQMSA-N 0 3 222.235 0.216 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CCOC2)[C@H](C)CN1 ZINC000251840212 176258384 /nfs/dbraw/zinc/25/83/84/176258384.db2.gz QJCGMDMIFPYBQA-BBBLOLIVSA-N 0 3 212.293 0.232 20 0 BCADHN C[C@@H]1CN(C(=O)[C@]2(F)CCNC2)C[C@@H](C)O1 ZINC000376791667 176259238 /nfs/dbraw/zinc/25/92/38/176259238.db2.gz PJWVFMLAYJBPQN-KKZNHRDASA-N 0 3 230.283 0.324 20 0 BCADHN C[NH2+]C[C@H](C)NC(=O)c1ccccc1[O-] ZINC000309065318 487633596 /nfs/dbraw/zinc/63/35/96/487633596.db2.gz YXYGPQPRXMCOIL-QMMMGPOBSA-N 0 3 208.261 0.730 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCC(=O)NCC1CC1 ZINC000336737263 176272598 /nfs/dbraw/zinc/27/25/98/176272598.db2.gz JHPASNRFNSAKKU-KOLCDFICSA-N 0 3 225.336 0.052 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1C(=O)N1CCC(=O)CC1 ZINC000362493114 176275797 /nfs/dbraw/zinc/27/57/97/176275797.db2.gz SLIKDBMOKIGTPW-MWLCHTKSSA-N 0 3 224.304 0.376 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1NCc1cccc(C(N)=O)c1 ZINC000358078408 176276771 /nfs/dbraw/zinc/27/67/71/176276771.db2.gz BVJMOXXGGHVDBP-ZWNOBZJWSA-N 0 3 247.342 0.825 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1N[C@H](CO)CC(F)(F)F ZINC000309793429 176277547 /nfs/dbraw/zinc/27/75/47/176277547.db2.gz PQXTYIVGYYZOCP-HRDYMLBCSA-N 0 3 240.269 0.839 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(C)COC1 ZINC000336458191 176279826 /nfs/dbraw/zinc/27/98/26/176279826.db2.gz SMNPWGZGBGVCNU-KOLCDFICSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CCCO1 ZINC000339446399 176281750 /nfs/dbraw/zinc/28/17/50/176281750.db2.gz JTUJKDXKZXECDG-YUSALJHKSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccnn1C ZINC000268291883 176281971 /nfs/dbraw/zinc/28/19/71/176281971.db2.gz ZJWFHRMERLSPHW-KOLCDFICSA-N 0 3 248.330 0.633 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1cccn1 ZINC000268209264 176282034 /nfs/dbraw/zinc/28/20/34/176282034.db2.gz KIDZDTFJRLSFNZ-ZYHUDNBSSA-N 0 3 248.330 0.482 20 0 BCADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@@H]1CO ZINC000362076452 176283176 /nfs/dbraw/zinc/28/31/76/176283176.db2.gz LIYDVGXFILDOCB-NXEZZACHSA-N 0 3 226.320 0.167 20 0 BCADHN C[NH2+]C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000309065316 487633746 /nfs/dbraw/zinc/63/37/46/487633746.db2.gz YXYGPQPRXMCOIL-MRVPVSSYSA-N 0 3 208.261 0.730 20 0 BCADHN C[C@@H]1CN(CCCCO)C[C@]2(CCOC2)O1 ZINC000373753132 176288254 /nfs/dbraw/zinc/28/82/54/176288254.db2.gz QLEGRAAGEJBCGF-NEPJUHHUSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@@H]1CN(CCN2C[C@H](O)C(C)(C)C2)CCO1 ZINC000337479727 176290881 /nfs/dbraw/zinc/29/08/81/176290881.db2.gz UYZDRLMYCSFABR-NEPJUHHUSA-N 0 3 242.363 0.410 20 0 BCADHN C[C@@H]1CN(CCN2CCCOCC2)CCCO1 ZINC000361290990 176291204 /nfs/dbraw/zinc/29/12/04/176291204.db2.gz UYDHDSYWGBZPRK-CYBMUJFWSA-N 0 3 242.363 0.820 20 0 BCADHN C[C@@H]1CN(CCN2CCC[C@@H](O)CC2)CCO1 ZINC000339787044 176291374 /nfs/dbraw/zinc/29/13/74/176291374.db2.gz KBHZAFUQWSEZDQ-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H]1CN(CCN2CCCC2=O)[C@H](C)CN1C ZINC000334458751 176291520 /nfs/dbraw/zinc/29/15/20/176291520.db2.gz KOWRRYZCQLGWRG-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@@H]1CN(CCN(C)C2(CO)CC2)CCO1 ZINC000353020876 176291637 /nfs/dbraw/zinc/29/16/37/176291637.db2.gz IRZWAIFZDAYPDU-LLVKDONJSA-N 0 3 228.336 0.164 20 0 BCADHN Cc1ccccc1CN[C@H]1CCNC1=O ZINC000309069255 487633323 /nfs/dbraw/zinc/63/33/23/487633323.db2.gz ASZOTMHRVWRORF-NSHDSACASA-N 0 3 204.273 0.973 20 0 BCADHN C[C@@H]1CN(CCc2cccnc2)C[C@@H]1O ZINC000351806395 176294748 /nfs/dbraw/zinc/29/47/48/176294748.db2.gz FCNOYLDDCMQIQD-PWSUYJOCSA-N 0 3 206.289 0.937 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CN(C)C2CC2)[C@H](C)CO1 ZINC000336712449 176295212 /nfs/dbraw/zinc/29/52/12/176295212.db2.gz NUNXQRZFAMBHMH-WZRBSPASSA-N 0 3 242.363 0.551 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CN(C)C2CC2)CCO1 ZINC000336658226 176296654 /nfs/dbraw/zinc/29/66/54/176296654.db2.gz MONCAVCYDDUIOP-PWSUYJOCSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H](CO)O1 ZINC000336663461 176297549 /nfs/dbraw/zinc/29/75/49/176297549.db2.gz RSSSKFCKXRHTPH-GRYCIOLGSA-N 0 3 229.320 0.495 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CN(C)C2CC2)CCO1 ZINC000336658228 176298454 /nfs/dbraw/zinc/29/84/54/176298454.db2.gz MONCAVCYDDUIOP-ZYHUDNBSSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@@H](C)N1C ZINC000123591125 176299385 /nfs/dbraw/zinc/29/93/85/176299385.db2.gz TULANFGJOQGELR-HLTSFMKQSA-N 0 3 240.269 0.934 20 0 BCADHN C[C@@H]1CN(C[C@H]2COCCO2)CCS1 ZINC000336486118 176299965 /nfs/dbraw/zinc/29/99/65/176299965.db2.gz OSPXNXZVIYEJGR-ZJUUUORDSA-N 0 3 217.334 0.839 20 0 BCADHN C[C@@H]1CN(Cc2cnc3cnccn23)C[C@@H]1CO ZINC000361660248 176310430 /nfs/dbraw/zinc/31/04/30/176310430.db2.gz JWOTUNUFKVFZBM-GHMZBOCLSA-N 0 3 246.314 0.790 20 0 BCADHN C[C@@H]1CN(Cc2c[nH]cn2)[C@H](C)CN1C ZINC000336455934 176310834 /nfs/dbraw/zinc/31/08/34/176310834.db2.gz POWDIGVUTCBOLI-NXEZZACHSA-N 0 3 208.309 0.934 20 0 BCADHN C[C@@H]1CN(Cc2cnc[nH]2)[C@H](C)CN1C ZINC000336455934 176310836 /nfs/dbraw/zinc/31/08/36/176310836.db2.gz POWDIGVUTCBOLI-NXEZZACHSA-N 0 3 208.309 0.934 20 0 BCADHN C[C@@H]1CN(S(=O)(=O)CC2CC2)C[C@H]1N(C)C ZINC000336524827 176313178 /nfs/dbraw/zinc/31/31/78/176313178.db2.gz HYOMNXAGKZYSCV-MWLCHTKSSA-N 0 3 246.376 0.608 20 0 BCADHN C[C@@H]1CN([C@H](C(N)=O)c2ccccc2)C[C@@H]1CO ZINC000362089888 176316549 /nfs/dbraw/zinc/31/65/49/176316549.db2.gz KTQOPJRRSJHZEZ-RTXFEEFZSA-N 0 3 248.326 0.773 20 0 BCADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(F)F ZINC000300100895 176322744 /nfs/dbraw/zinc/32/27/44/176322744.db2.gz VIQHPRMFBPPLMO-SFYZADRCSA-N 0 3 218.247 0.947 20 0 BCADHN C[C@@H]1CNCCN1C(=O)[C@H]1CCNCC1(F)F ZINC000334156192 176326497 /nfs/dbraw/zinc/32/64/97/176326497.db2.gz XRNQTIZRZRDEGI-RKDXNWHRSA-N 0 3 247.289 0.052 20 0 BCADHN C[C@@H]1COCCN1CCN1CCOC[C@@H](C)C1 ZINC000337193181 176332318 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C[C@H]1C[C@@H](CNCc2cnnn2C)CCO1 ZINC000309793540 177325467 /nfs/dbraw/zinc/32/54/67/177325467.db2.gz PRJFBTGAJSVFEE-UWVGGRQHSA-N 0 3 224.308 0.720 20 0 BCADHN C[C@H]1C[C@@H](N(C)C(=O)c2cc[nH]n2)CCN1C ZINC000123294329 177326156 /nfs/dbraw/zinc/32/61/56/177326156.db2.gz CUPORTIIAHMIIE-UWVGGRQHSA-N 0 3 236.319 0.964 20 0 BCADHN C[C@H]1C[C@@H](O)CN1CCN1CCOC[C@H]1C ZINC000337197894 177336822 /nfs/dbraw/zinc/33/68/22/177336822.db2.gz ZCLCYUNFXFRGCI-QJPTWQEYSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@H]1C[C@@H]1C[NH+]1CCC2(CC1)NC(=O)[N-]C2=O ZINC000336566174 177342133 /nfs/dbraw/zinc/34/21/33/177342133.db2.gz YWIGGFKIPTVJTM-DTWKUNHWSA-N 0 3 237.303 0.316 20 0 BCADHN C[C@H]1C[C@@H]1CNC(=O)N1CCOC2(CNC2)C1 ZINC000333936455 177343368 /nfs/dbraw/zinc/34/33/68/177343368.db2.gz KLKQFJVGFJZEGS-VHSXEESVSA-N 0 3 239.319 0.026 20 0 BCADHN C[C@H]1C[C@H](CNC(=O)NCCN(C)C)CCO1 ZINC000356947218 177362825 /nfs/dbraw/zinc/36/28/25/177362825.db2.gz DWJQVQISVRGMLV-WDEREUQCSA-N 0 3 243.351 0.662 20 0 BCADHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1nc[nH]n1 ZINC000288518602 177366187 /nfs/dbraw/zinc/36/61/87/177366187.db2.gz TVSUTZGUTSWZCI-UWVGGRQHSA-N 0 3 249.318 0.504 20 0 BCADHN C[C@H]1C[C@H](NC(=O)/C=C/CN(C)C)CCO1 ZINC000271231746 177367018 /nfs/dbraw/zinc/36/70/18/177367018.db2.gz CFIVIVUWCVMLIX-BXXZLRJFSA-N 0 3 226.320 0.788 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cncnc2)CCN1C ZINC000354771498 177367971 /nfs/dbraw/zinc/36/79/71/177367971.db2.gz UXHYZUINFMKLMP-GXSJLCMTSA-N 0 3 234.303 0.689 20 0 BCADHN C[C@H]1C[C@H](NCC(=O)NCC(F)F)CCO1 ZINC000336782535 177369067 /nfs/dbraw/zinc/36/90/67/177369067.db2.gz XYUJJBYRAZLJKR-JGVFFNPUSA-N 0 3 236.262 0.525 20 0 BCADHN C[C@H]1C[C@H](O)CN1CCN1CCOC[C@H]1C ZINC000337197895 177373274 /nfs/dbraw/zinc/37/32/74/177373274.db2.gz ZCLCYUNFXFRGCI-TUAOUCFPSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@H]1NCCN(C(=O)c2n[nH]c3c2CCC3)[C@@H]1C ZINC000277531194 177396595 /nfs/dbraw/zinc/39/65/95/177396595.db2.gz VDBIYUYCXSENRB-RKDXNWHRSA-N 0 3 248.330 0.721 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccn(C)c(=O)c2)[C@@H]1C ZINC000262789845 177396697 /nfs/dbraw/zinc/39/66/97/177396697.db2.gz NCUINMAWYNIORV-NXEZZACHSA-N 0 3 249.314 0.208 20 0 BCADHN C[C@H]1NCCN(C(=O)CCn2ccnc2)[C@@H]1C ZINC000277466190 177396809 /nfs/dbraw/zinc/39/68/09/177396809.db2.gz JGWFZHJFHSVNOR-GHMZBOCLSA-N 0 3 236.319 0.482 20 0 BCADHN Cc1n[nH]cc1C(=O)N(C)CCN(C)C1CC1 ZINC000186753531 177541567 /nfs/dbraw/zinc/54/15/67/177541567.db2.gz JFKJYGLDFALOLO-UHFFFAOYSA-N 0 3 236.319 0.884 20 0 BCADHN C[C@@H](O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000469390545 225041171 /nfs/dbraw/zinc/04/11/71/225041171.db2.gz IBKDRTUAKCKLLV-OPRDCNLKSA-N 0 3 214.309 0.166 20 0 BCADHN C[C@H]1C[C@@H]1CNC(=O)NCCOCCN(C)C ZINC000471635551 225067786 /nfs/dbraw/zinc/06/77/86/225067786.db2.gz OGNBWGOVTUBLPW-WDEREUQCSA-N 0 3 243.351 0.520 20 0 BCADHN COC[C@@H]1CCCN1C(=O)C[C@H]1CNCCO1 ZINC000162820611 487643468 /nfs/dbraw/zinc/64/34/68/487643468.db2.gz WEYQXTFCOMXEMO-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN COC[C@@]1(C)CCN(CCn2cncn2)C1 ZINC000487038555 225281577 /nfs/dbraw/zinc/28/15/77/225281577.db2.gz LQZSBWNWDIBTNF-NSHDSACASA-N 0 3 224.308 0.637 20 0 BCADHN COC[C@]1(C)CCN(CCN2CCCC2=O)C1 ZINC000487050203 225283117 /nfs/dbraw/zinc/28/31/17/225283117.db2.gz UWHYUQUNIHVUSM-CYBMUJFWSA-N 0 3 240.347 0.967 20 0 BCADHN COC[C@@]1(C)CCN(CCN2CCCC2=O)C1 ZINC000487050206 225283217 /nfs/dbraw/zinc/28/32/17/225283217.db2.gz UWHYUQUNIHVUSM-ZDUSSCGKSA-N 0 3 240.347 0.967 20 0 BCADHN O=C1CC[C@H](NC/C=C/c2ccncc2)CN1 ZINC000487277104 225295959 /nfs/dbraw/zinc/29/59/59/225295959.db2.gz RMMMYYTWAIDPAX-ISUDXETCSA-N 0 3 231.299 0.963 20 0 BCADHN OC[C@]1(O)CCCN(CCc2cccnc2)C1 ZINC000313637156 487643987 /nfs/dbraw/zinc/64/39/87/487643987.db2.gz LWGUVSTYVKZPKS-ZDUSSCGKSA-N 0 3 236.315 0.443 20 0 BCADHN OC[C@@]1(O)CCCN(CCc2cccnc2)C1 ZINC000313637155 487644312 /nfs/dbraw/zinc/64/43/12/487644312.db2.gz LWGUVSTYVKZPKS-CYBMUJFWSA-N 0 3 236.315 0.443 20 0 BCADHN CO[C@H]1CN(CCC(=O)OC(C)C)C[C@@H]1OC ZINC000488027907 225341706 /nfs/dbraw/zinc/34/17/06/225341706.db2.gz RVNUBSJRCRSAML-QWRGUYRKSA-N 0 3 245.319 0.674 20 0 BCADHN CCn1ncnc1CN1C[C@H](C)N(C)C[C@@H]1C ZINC000488113330 225347407 /nfs/dbraw/zinc/34/74/07/225347407.db2.gz JCQLNLGJYFWPSQ-QWRGUYRKSA-N 0 3 237.351 0.822 20 0 BCADHN C[C@H](CO)CN1CCC[C@H]1C(=O)NC1CC1 ZINC000678044465 487645022 /nfs/dbraw/zinc/64/50/22/487645022.db2.gz BTVAKPOXTFWXDS-ONGXEEELSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCC(O)(CO)CC2)O1 ZINC000313670289 487647127 /nfs/dbraw/zinc/64/71/27/487647127.db2.gz MOVFWWFWEWQTGU-GHMZBOCLSA-N 0 3 229.320 0.373 20 0 BCADHN C[C@H](NC(=O)c1cn(C)cn1)C1=CCN(C)CC1 ZINC000272665332 487646870 /nfs/dbraw/zinc/64/68/70/487646870.db2.gz HTJAKEDALPQMDJ-JTQLQIEISA-N 0 3 248.330 0.800 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1ccc(=O)n(C)c1 ZINC000491873068 225862927 /nfs/dbraw/zinc/86/29/27/225862927.db2.gz SSXFDFQBNMPHJN-SNAWJCMRSA-N 0 3 235.287 0.442 20 0 BCADHN CN(C)C/C=C/C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000492512038 226011208 /nfs/dbraw/zinc/01/12/08/226011208.db2.gz XHXIKOZFXDYNQV-LRABVFIDSA-N 0 3 238.331 0.334 20 0 BCADHN CN(C)C/C=C/C(=O)NCC[C@H]1CCOC1 ZINC000492544004 226016045 /nfs/dbraw/zinc/01/60/45/226016045.db2.gz YRECMBAMPGVBBW-UFFNRZRYSA-N 0 3 226.320 0.647 20 0 BCADHN C[NH+](C)C/C=C\C(=O)Nc1ncccc1[O-] ZINC000492491761 226007930 /nfs/dbraw/zinc/00/79/30/226007930.db2.gz KJJJWTOMSVQOMJ-XQRVVYSFSA-N 0 3 221.260 0.844 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H]1CCCC[C@H]1O ZINC000492735858 226043937 /nfs/dbraw/zinc/04/39/37/226043937.db2.gz LODBDAWNTGPBOW-UGMIWWEVSA-N 0 3 226.320 0.524 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@@H]1CCSC1 ZINC000492759235 226048117 /nfs/dbraw/zinc/04/81/17/226048117.db2.gz HQLMLDBRNYTYBV-XOULXFPDSA-N 0 3 228.361 0.974 20 0 BCADHN C[NH+](C)C/C=C/C(=O)[N-]OCCC1CC1 ZINC000492851518 226066866 /nfs/dbraw/zinc/06/68/66/226066866.db2.gz IXBGBPWAEDWUDU-ONEGZZNKSA-N 0 3 212.293 0.952 20 0 BCADHN CN(C)C/C=C/C(=O)NOCCC1CC1 ZINC000492851518 226066872 /nfs/dbraw/zinc/06/68/72/226066872.db2.gz IXBGBPWAEDWUDU-ONEGZZNKSA-N 0 3 212.293 0.952 20 0 BCADHN Cc1nnsc1CNC(=O)/C=C\CN(C)C ZINC000492897775 226077900 /nfs/dbraw/zinc/07/79/00/226077900.db2.gz QYYLOPWVWZZEKY-PLNGDYQASA-N 0 3 240.332 0.581 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@H](O)c1ccco1 ZINC000492960212 226091620 /nfs/dbraw/zinc/09/16/20/226091620.db2.gz WXHLXEBZHCYKEF-NWPZZWLHSA-N 0 3 238.287 0.547 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)CC1(O)CCC1 ZINC000492583388 226022697 /nfs/dbraw/zinc/02/26/97/226022697.db2.gz RUYPPDBMMFELKA-GQCTYLIASA-N 0 3 226.320 0.478 20 0 BCADHN C[C@H]1OCC[C@H]1NC(=O)/C=C\CN(C)C ZINC000493195633 226152472 /nfs/dbraw/zinc/15/24/72/226152472.db2.gz VXNASEYHDLYGEU-BYIQDMNASA-N 0 3 212.293 0.398 20 0 BCADHN CN(C)C/C=C\C(=O)NCCC1CC(O)C1 ZINC000493373059 226198358 /nfs/dbraw/zinc/19/83/58/226198358.db2.gz UILKNIGPQPWBTC-ARJAWSKDSA-N 0 3 226.320 0.381 20 0 BCADHN C[C@H](N(C)C(=O)/C=C\CN(C)C)C(C)(C)O ZINC000493432075 226214304 /nfs/dbraw/zinc/21/43/04/226214304.db2.gz KISGMDZUPKQXIZ-DMEOUFDRSA-N 0 3 228.336 0.722 20 0 BCADHN COC(=O)[C@@H]1CCCN1C(=O)/C=C\CN(C)C ZINC000493433599 226215524 /nfs/dbraw/zinc/21/55/24/226215524.db2.gz MWPITGAMIBPTAL-BXKUYDPTSA-N 0 3 240.303 0.268 20 0 BCADHN CN(C)[C@H]1CN(C(=O)/C=C/C(C)(C)C)C[C@@H]1O ZINC000493464990 226224510 /nfs/dbraw/zinc/22/45/10/226224510.db2.gz PZGVZFYVIOKUOP-JYLGIWJRSA-N 0 3 240.347 0.722 20 0 BCADHN C[C@@H]1CC[C@H](CNC(=O)/C=C\CN(C)C)O1 ZINC000493575986 226244144 /nfs/dbraw/zinc/24/41/44/226244144.db2.gz BXVVZWJYKYSDFO-WQMVXFAESA-N 0 3 226.320 0.788 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCOCC2(CC2)C1 ZINC000493596898 226245294 /nfs/dbraw/zinc/24/52/94/226245294.db2.gz XSXUDVJHDFOSGG-ARJAWSKDSA-N 0 3 238.331 0.743 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC[C@@H]1CCO ZINC000493659382 226247373 /nfs/dbraw/zinc/24/73/73/226247373.db2.gz VCVBUXUJLFNSSU-VLWUPBBWSA-N 0 3 226.320 0.478 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)CC(C)(C)CO ZINC000493651987 226247810 /nfs/dbraw/zinc/24/78/10/226247810.db2.gz WRQGHLWTDSROTC-SREVYHEPSA-N 0 3 228.336 0.581 20 0 BCADHN CN(C)C/C=C/C(=O)NC(C)(C)c1ncc[nH]1 ZINC000493664314 226248174 /nfs/dbraw/zinc/24/81/74/226248174.db2.gz ZNSPXLJYYAMYDQ-AATRIKPKSA-N 0 3 236.319 0.879 20 0 BCADHN Cc1ccc(/C=C\C(=O)[N-]OC[C@@H](C)[NH3+])o1 ZINC000493788008 226254116 /nfs/dbraw/zinc/25/41/16/226254116.db2.gz WBHMEURHWQRFTK-RPSMYOMKSA-N 0 3 224.260 0.996 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000493812600 226255373 /nfs/dbraw/zinc/25/53/73/226255373.db2.gz MQWZTYBXQPUZDN-MCTUQULKSA-N 0 3 240.347 0.772 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC[C@H](CO)CC1 ZINC000493824994 226256041 /nfs/dbraw/zinc/25/60/41/226256041.db2.gz PKHKXIBXVIDWAJ-RNZFLTOJSA-N 0 3 240.347 0.725 20 0 BCADHN NC(=O)[C@H]1CCN(C/C=C\c2ccncc2)C1 ZINC000494394571 226264576 /nfs/dbraw/zinc/26/45/76/226264576.db2.gz VMBUSLQMVXFZAS-BIOMNHJASA-N 0 3 231.299 0.902 20 0 BCADHN Cn1nccc1CN[C@@H]1CCn2ccnc2C1 ZINC000494416782 226264967 /nfs/dbraw/zinc/26/49/67/226264967.db2.gz VIDCRMAJHARLTD-SNVBAGLBSA-N 0 3 231.303 0.721 20 0 BCADHN COCC(C)(C)CNC(=O)N(C)CCN(C)C ZINC000494589891 226266631 /nfs/dbraw/zinc/26/66/31/226266631.db2.gz BJBKWKFFENTZSD-UHFFFAOYSA-N 0 3 245.367 0.862 20 0 BCADHN Cn1cc([C@H](CO)N[C@@H]2CCCC[C@H]2O)cn1 ZINC000494803075 226269781 /nfs/dbraw/zinc/26/97/81/226269781.db2.gz BNTFDMSLTNDECA-GRYCIOLGSA-N 0 3 239.319 0.347 20 0 BCADHN C[C@@H]1CO[C@@H](CO)CN1C[C@H]1CCSC1 ZINC000494986737 226274021 /nfs/dbraw/zinc/27/40/21/226274021.db2.gz QYEPRZFOPOYDBX-GMTAPVOTSA-N 0 3 231.361 0.821 20 0 BCADHN Cc1cc(CN[C@H]2CCC(=O)NC2(C)C)ncn1 ZINC000495059520 226275649 /nfs/dbraw/zinc/27/56/49/226275649.db2.gz NMJMRUNKBAXIGL-NSHDSACASA-N 0 3 248.330 0.932 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)OCCCF ZINC000496401974 226304063 /nfs/dbraw/zinc/30/40/63/226304063.db2.gz JHKWJLWVMMQGMD-SNVBAGLBSA-N 0 3 236.287 0.385 20 0 BCADHN C[C@H](O)[C@@H]1CCN(C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496433381 226304915 /nfs/dbraw/zinc/30/49/15/226304915.db2.gz FMSLRGAPLUUOLI-AEJSXWLSSA-N 0 3 228.292 0.140 20 0 BCADHN 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COC[C@@H]1CCCCN1C[C@H]1CN(C)C(=O)O1 ZINC000495969839 226293587 /nfs/dbraw/zinc/29/35/87/226293587.db2.gz NXGDNNNWPBOPSM-WDEREUQCSA-N 0 3 242.319 0.938 20 0 BCADHN CO[C@@H](C)CN(C)C[C@@H]1CN(C)C(=O)O1 ZINC000496237083 226299611 /nfs/dbraw/zinc/29/96/11/226299611.db2.gz YOBWXIOCXLILRB-DTWKUNHWSA-N 0 3 216.281 0.404 20 0 BCADHN CN1CCC[C@@H](NC(=O)CCCF)C1 ZINC000668330690 487653940 /nfs/dbraw/zinc/65/39/40/487653940.db2.gz XJDNDQVKPLFQCN-SECBINFHSA-N 0 3 202.273 0.947 20 0 BCADHN CCN1CCC[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC000668330697 487653706 /nfs/dbraw/zinc/65/37/06/487653706.db2.gz XNYOGOLOGXJXIF-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN CC(C)N(C)C[C@@H](O)CN1CCC(=O)[C@H](C)C1 ZINC000383640734 487654732 /nfs/dbraw/zinc/65/47/32/487654732.db2.gz ZPPSEWBATJDJRP-VXGBXAGGSA-N 0 3 242.363 0.598 20 0 BCADHN COC[C@H]1CCCN1CCN1CCO[C@@H](C)C1 ZINC000669690493 487658831 /nfs/dbraw/zinc/65/88/31/487658831.db2.gz RLLKQYGXEPVZAG-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN CN(C)CCNC(=O)Nc1cncnc1 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487710196 /nfs/dbraw/zinc/71/01/96/487710196.db2.gz QAJRFQGXOADPSP-UHFFFAOYSA-N 0 3 222.288 0.342 20 0 BCADHN CCC(C)(CC)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000681069879 487711994 /nfs/dbraw/zinc/71/19/94/487711994.db2.gz OAQHCGWVCFKQHJ-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)CCO)CN1C1CC1 ZINC000902898349 584686983 /nfs/dbraw/zinc/68/69/83/584686983.db2.gz ZKRIHAWWGVJCQO-BDAKNGLRSA-N 0 3 212.293 0.110 20 0 BCADHN CC1(C)[C@@H](O)C[C@@H]1NCC(=O)NC1CC1 ZINC000163331949 487713038 /nfs/dbraw/zinc/71/30/38/487713038.db2.gz JVWNJRCBZCUDNE-IUCAKERBSA-N 0 3 212.293 0.014 20 0 BCADHN Cc1ccnc(CN(C)CCC(N)=O)c1 ZINC000671734617 487714085 /nfs/dbraw/zinc/71/40/85/487714085.db2.gz QJCYJDAYTKEPPP-UHFFFAOYSA-N 0 3 207.277 0.697 20 0 BCADHN CC(=O)NCCCNC(=O)[C@@H](N)CC(C)C ZINC000151736981 487714916 /nfs/dbraw/zinc/71/49/16/487714916.db2.gz HYJITTXWKLPJFF-JTQLQIEISA-N 0 3 229.324 0.002 20 0 BCADHN CO[C@@H](C)CN(C)CCN1C(=O)CCC1=O ZINC000671737112 487715174 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/nfs/dbraw/zinc/76/88/00/487768800.db2.gz RIYGNQHQXSPXIX-SECBINFHSA-N 0 3 224.308 0.583 20 0 BCADHN CC(C)NCC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000227326132 487771454 /nfs/dbraw/zinc/77/14/54/487771454.db2.gz XIGVLSBHEGMKQE-OCCSQVGLSA-N 0 3 248.326 0.759 20 0 BCADHN CCO[C@@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC000675730775 487771738 /nfs/dbraw/zinc/77/17/38/487771738.db2.gz LFXYASYGTHXLQF-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1C[C@H]1CN1CC(N2CC[C@@H](O)C2)C1 ZINC000651977503 487773230 /nfs/dbraw/zinc/77/32/30/487773230.db2.gz NDHIHEGVQJCWLE-JFGNBEQYSA-N 0 3 210.321 0.393 20 0 BCADHN CO[C@H](C)CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000666261442 487774857 /nfs/dbraw/zinc/77/48/57/487774857.db2.gz CDBQLEPYTKJWIZ-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@H](NCCNc1cnccn1)c1ccnn1C ZINC000447580705 487779050 /nfs/dbraw/zinc/77/90/50/487779050.db2.gz QEYVLVXICUQKJN-JTQLQIEISA-N 0 3 246.318 0.973 20 0 BCADHN CCCC[C@@H](COC)N[C@H]1CCNC1=O ZINC000309212519 487780871 /nfs/dbraw/zinc/78/08/71/487780871.db2.gz SYZGABZGGNXEFQ-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644812042 487780934 /nfs/dbraw/zinc/78/09/34/487780934.db2.gz BZJUKRYRSLQNJH-KXUCPTDWSA-N 0 3 212.293 0.184 20 0 BCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)[C@@H](O)C1CC1 ZINC000668457800 487781138 /nfs/dbraw/zinc/78/11/38/487781138.db2.gz PQXXJBNJOQYTHX-NEPJUHHUSA-N 0 3 238.331 0.358 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)[C@@H]2C1 ZINC000650322666 487786745 /nfs/dbraw/zinc/78/67/45/487786745.db2.gz JHPFZAJYYXOEDK-DJLDLDEBSA-N 0 3 230.258 0.804 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H](CO)C(C)C ZINC000038339036 487787851 /nfs/dbraw/zinc/78/78/51/487787851.db2.gz VHCATEMHFGCJEE-BDAKNGLRSA-N 0 3 202.298 0.103 20 0 BCADHN CC1(C)CNCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385595572 487790505 /nfs/dbraw/zinc/79/05/05/487790505.db2.gz XRGDODRWKJEUFP-MYJAWHEDSA-N 0 3 224.304 0.089 20 0 BCADHN C[C@@H](CO)N1CCCN(c2ncccn2)CC1 ZINC000364982705 487794283 /nfs/dbraw/zinc/79/42/83/487794283.db2.gz MEEXBLRICOYQBG-NSHDSACASA-N 0 3 236.319 0.370 20 0 BCADHN C[C@H]1C[C@H]1C(=O)NOC1CCN(C)CC1 ZINC000773552491 585640395 /nfs/dbraw/zinc/64/03/95/585640395.db2.gz QFHONRZYROOMEL-WCBMZHEXSA-N 0 3 212.293 0.784 20 0 BCADHN O=C1NCCC[C@@H]1N1CCC[C@@H](CCO)C1 ZINC000675963942 487796226 /nfs/dbraw/zinc/79/62/26/487796226.db2.gz NJJXCRFARCWDBW-QWRGUYRKSA-N 0 3 226.320 0.359 20 0 BCADHN CON(C)C(=O)CN1CC[C@@H](C)[C@H](C)C1 ZINC000774765733 585665409 /nfs/dbraw/zinc/66/54/09/585665409.db2.gz ANCIVGAWLACIJM-NXEZZACHSA-N 0 3 214.309 0.984 20 0 BCADHN CC[C@@H](CO)N1CCN([C@@H]2CCCOC2)CC1 ZINC000674301720 487798802 /nfs/dbraw/zinc/79/88/02/487798802.db2.gz FTTVAIBBPSZNOV-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN CC[C@H](CO)N1CCN([C@@H]2CCCOC2)CC1 ZINC000674301714 487798900 /nfs/dbraw/zinc/79/89/00/487798900.db2.gz FTTVAIBBPSZNOV-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@H]1CN(Cc2cn[nH]c2)[C@@H](C)CN1C ZINC000681493485 487805645 /nfs/dbraw/zinc/80/56/45/487805645.db2.gz UTNBQMXXDDEQDK-UWVGGRQHSA-N 0 3 208.309 0.934 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)[C@H](O)C2CC2)C1 ZINC000666428511 487806632 /nfs/dbraw/zinc/80/66/32/487806632.db2.gz RMRWWXRQHGZCIU-ZYHUDNBSSA-N 0 3 240.347 0.605 20 0 BCADHN CC[C@@H]1CO[C@@H](C)CN1C[C@H]1CNCCO1 ZINC000251922062 487807906 /nfs/dbraw/zinc/80/79/06/487807906.db2.gz YNTOVGVBAIDEBJ-QJPTWQEYSA-N 0 3 228.336 0.474 20 0 BCADHN CC[C@@H](N)C(=O)NCCNC(=O)c1ccccc1 ZINC000129215827 487811849 /nfs/dbraw/zinc/81/18/49/487811849.db2.gz XWRWQGHKUYBNTQ-LLVKDONJSA-N 0 3 249.314 0.270 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000234379916 487813869 /nfs/dbraw/zinc/81/38/69/487813869.db2.gz URMJDRBETBPAEM-CIUDSAMLSA-N 0 3 200.282 0.278 20 0 BCADHN CCn1cc([C@@H](C)NCCC(N)=O)cn1 ZINC000044495976 487819402 /nfs/dbraw/zinc/81/94/02/487819402.db2.gz CAPAYPPDIFSZNY-MRVPVSSYSA-N 0 3 210.281 0.429 20 0 BCADHN CC(C)OCCN1CC[C@@H](n2cncn2)C1 ZINC000681604874 487822973 /nfs/dbraw/zinc/82/29/73/487822973.db2.gz LCWZLAJLPLWXQD-LLVKDONJSA-N 0 3 224.308 0.950 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000558029633 322945389 /nfs/dbraw/zinc/94/53/89/322945389.db2.gz AHIUWMKLANXEPM-FXQIFTODSA-N 0 3 220.263 0.954 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@H](CO)C1 ZINC000495197854 527814683 /nfs/dbraw/zinc/81/46/83/527814683.db2.gz ZEVVPZVQVSZKSS-NSHDSACASA-N 0 3 228.336 0.559 20 0 BCADHN CCCn1nccc1CN[C@@H](C)CC(=O)NC ZINC000323030331 487831490 /nfs/dbraw/zinc/83/14/90/487831490.db2.gz LZODWWUQRZGHLG-JTQLQIEISA-N 0 3 238.335 0.907 20 0 BCADHN CN(C)CCN(C)C(=O)CSC(F)F ZINC000826603504 587356075 /nfs/dbraw/zinc/35/60/75/587356075.db2.gz HXNMJUPAVHBGAM-UHFFFAOYSA-N 0 3 226.292 0.962 20 0 BCADHN CC(C)OCCO[N-]C(=O)/C=C\C[NH+](C)C ZINC000493800403 527983111 /nfs/dbraw/zinc/98/31/11/527983111.db2.gz ANXMGKLKQPYHTC-WAYWQWQTSA-N 0 3 230.308 0.577 20 0 BCADHN COC(=O)[C@@H]1CCN(CC[S@](C)=O)[C@@H]1C ZINC000828408954 587439512 /nfs/dbraw/zinc/43/95/12/587439512.db2.gz VSVWDTKZQMNEST-XWRVAKJBSA-N 0 3 233.333 0.248 20 0 BCADHN Cc1c[nH]nc1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000669615048 487835936 /nfs/dbraw/zinc/83/59/36/487835936.db2.gz CCVUOKYSVWNDGZ-WDEREUQCSA-N 0 3 248.330 0.884 20 0 BCADHN CCNC(=S)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000840799617 587922314 /nfs/dbraw/zinc/92/23/14/587922314.db2.gz GRFKYJSNJLHCBG-DTWKUNHWSA-N 0 3 213.350 0.517 20 0 BCADHN CCO/C=C/C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000493555911 528495602 /nfs/dbraw/zinc/49/56/02/528495602.db2.gz RWLBFESUOPBPBW-PCGIRMHASA-N 0 3 224.304 0.890 20 0 BCADHN CCC[C@H](C)[C@@H](CO)NCCS(C)(=O)=O ZINC000844377718 588188124 /nfs/dbraw/zinc/18/81/24/588188124.db2.gz IGXXHFXFAPYLJL-VHSXEESVSA-N 0 3 237.365 0.418 20 0 BCADHN CCO/C=C\C(=O)NCCCN(C)CCOC ZINC000492837174 528522593 /nfs/dbraw/zinc/52/25/93/528522593.db2.gz KNPYAXDKEFGBEU-POHAHGRESA-N 0 3 244.335 0.621 20 0 BCADHN CCN(CCO)C(=O)[C@H]1CCCN1C1CC1 ZINC000494198678 528527903 /nfs/dbraw/zinc/52/79/03/528527903.db2.gz PARFRVDHGGJTIG-LLVKDONJSA-N 0 3 226.320 0.454 20 0 BCADHN COC(=O)CCCn1cc([C@H](C)N)nn1 ZINC000849143142 588454919 /nfs/dbraw/zinc/45/49/19/588454919.db2.gz JNLSOBKIOBXHLR-ZETCQYMHSA-N 0 3 212.253 0.251 20 0 BCADHN C[C@H](CCO)N(C)C[C@@H]1COC(C)(C)O1 ZINC000852212832 588672652 /nfs/dbraw/zinc/67/26/52/588672652.db2.gz FAKLHWPCDJBHRG-NXEZZACHSA-N 0 3 217.309 0.841 20 0 BCADHN C[C@@H]1CCN(CC[S@](C)=O)C[C@H](C)O1 ZINC000852588768 588692255 /nfs/dbraw/zinc/69/22/55/588692255.db2.gz ZGJQCDSXMLUXBN-BFVZDQMLSA-N 0 3 219.350 0.864 20 0 BCADHN COC(=O)N(C)CCN(C)CCCF ZINC000852570264 588691348 /nfs/dbraw/zinc/69/13/48/588691348.db2.gz LPATVTSAONYNRM-UHFFFAOYSA-N 0 3 206.261 0.976 20 0 BCADHN C[C@H]1CN(Cc2ccn(C)c(=O)c2)CC[C@H]1O ZINC000681707502 487844110 /nfs/dbraw/zinc/84/41/10/487844110.db2.gz APWYIEBYSFJZIB-CMPLNLGQSA-N 0 3 236.315 0.588 20 0 BCADHN C[C@H](CO)CN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000681708903 487845383 /nfs/dbraw/zinc/84/53/83/487845383.db2.gz JTHCYZPFJWIKLZ-UTLUCORTSA-N 0 3 214.309 0.201 20 0 BCADHN CC1(C)[C@H](C(=O)[N-]OCC(F)(F)F)C[C@@H]1[NH3+] ZINC000876706680 590232240 /nfs/dbraw/zinc/23/22/40/590232240.db2.gz BROVUPUJOZAPOS-WDSKDSINSA-N 0 3 240.225 0.970 20 0 BCADHN O=C(CN1CC[C@@H]2CCC[C@@H]21)N1CCNC1=O ZINC000681710438 487846683 /nfs/dbraw/zinc/84/66/83/487846683.db2.gz SDLCHVFQUFKVIC-UWVGGRQHSA-N 0 3 237.303 0.413 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NCC(C)(C)CO ZINC000676402722 487847182 /nfs/dbraw/zinc/84/71/82/487847182.db2.gz IWPDSKMADAMFEE-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccncn1 ZINC000681727133 487849687 /nfs/dbraw/zinc/84/96/87/487849687.db2.gz OMSRJQDCFNPRKG-NSHDSACASA-N 0 3 246.314 0.691 20 0 BCADHN CN(C)Cc1cccc(CNC(N)=O)c1 ZINC000078453855 487850288 /nfs/dbraw/zinc/85/02/88/487850288.db2.gz KSYPRVVPOMSVTH-UHFFFAOYSA-N 0 3 207.277 0.917 20 0 BCADHN CSC[C@@H](O)CN1CCOC[C@@H](C)C1 ZINC000372920003 487854049 /nfs/dbraw/zinc/85/40/49/487854049.db2.gz AHNGUPRIPBILNV-UWVGGRQHSA-N 0 3 219.350 0.679 20 0 BCADHN Cc1ncc(CN(C)CCN(C)C)n1C ZINC000668156584 487855148 /nfs/dbraw/zinc/85/51/48/487855148.db2.gz UNWVWDBGLCZXNC-UHFFFAOYSA-N 0 3 210.325 0.722 20 0 BCADHN O=C1CCCN1CCN1CCC[C@@H]1CO ZINC000303261735 487856296 /nfs/dbraw/zinc/85/62/96/487856296.db2.gz OWRPXMMPDMLCAL-SNVBAGLBSA-N 0 3 212.293 0.066 20 0 BCADHN CCOCC[C@H](O)CN1CCOCC[C@H]1C ZINC000373074056 487857173 /nfs/dbraw/zinc/85/71/73/487857173.db2.gz JFYPZZPPMDAXES-NEPJUHHUSA-N 0 3 231.336 0.885 20 0 BCADHN COC[C@@H]1CCCN1CCN1CCCC1=O ZINC000674470111 487857057 /nfs/dbraw/zinc/85/70/57/487857057.db2.gz NOLROMMBGXHKOK-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN COC[C@H](C)NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000668166502 487859059 /nfs/dbraw/zinc/85/90/59/487859059.db2.gz SUYIWALOADVCER-AEJSXWLSSA-N 0 3 229.324 0.413 20 0 BCADHN CCCCCNC(=O)N1CCOC2(CNC2)C1 ZINC000668170783 487860568 /nfs/dbraw/zinc/86/05/68/487860568.db2.gz RFTNOJWPWYFWGQ-UHFFFAOYSA-N 0 3 241.335 0.560 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H](C)CC1CC1 ZINC000668507020 487862530 /nfs/dbraw/zinc/86/25/30/487862530.db2.gz MQYFBMFTCIZSJO-INTQDDNPSA-N 0 3 247.360 0.577 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@](O)(C2CC2)C1 ZINC000373243161 487864245 /nfs/dbraw/zinc/86/42/45/487864245.db2.gz NJFDGCVXSIJCSI-ZDUSSCGKSA-N 0 3 240.347 0.702 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NC[C@H](C)OC)C1 ZINC000661686074 487864769 /nfs/dbraw/zinc/86/47/69/487864769.db2.gz FKPDMFGRABPESV-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CN1CCC[C@@H](NC(=O)CCCCC(N)=O)C1 ZINC000681806895 487865670 /nfs/dbraw/zinc/86/56/70/487865670.db2.gz NUVFUAJNDKROGV-SNVBAGLBSA-N 0 3 241.335 0.243 20 0 BCADHN COCn1ccc(C(=O)NC[C@@H](C)N(C)C)n1 ZINC000666243288 487867226 /nfs/dbraw/zinc/86/72/26/487867226.db2.gz FDEKMKCCIXCMJH-SECBINFHSA-N 0 3 240.307 0.167 20 0 BCADHN OC[C@@H]1CCN([C@@H]2C=CCCC2)C[C@H]1O ZINC000676555212 487871376 /nfs/dbraw/zinc/87/13/76/487871376.db2.gz ZRMOVJXRPMIXRL-QJPTWQEYSA-N 0 3 211.305 0.770 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000156726034 487871006 /nfs/dbraw/zinc/87/10/06/487871006.db2.gz BQIOOVCFHSLEII-IEBDPFPHSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)C1CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000677122518 487873779 /nfs/dbraw/zinc/87/37/79/487873779.db2.gz VJMOXLQOFMVWIU-MRVPVSSYSA-N 0 3 233.333 0.534 20 0 BCADHN CCCn1cc(CN[C@H]2C[C@@H](C(N)=O)C2)cn1 ZINC000651940550 487876197 /nfs/dbraw/zinc/87/61/97/487876197.db2.gz SUSVLMNMSUZCEV-PHIMTYICSA-N 0 3 236.319 0.647 20 0 BCADHN CCOCCCN1CC[C@H](CO)[C@@H](O)C1 ZINC000676587297 487877582 /nfs/dbraw/zinc/87/75/82/487877582.db2.gz KKLVORBEGQIJTB-MNOVXSKESA-N 0 3 217.309 0.088 20 0 BCADHN COc1cnccc1[C@@H](C)NC(=O)[C@@H](C)N ZINC000566196148 322963952 /nfs/dbraw/zinc/96/39/52/322963952.db2.gz FHWZIWPMKHCPGP-HTQZYQBOSA-N 0 3 223.276 0.615 20 0 BCADHN Cc1ccc(CCNC(=O)C2(N)CCC2)cn1 ZINC000569599713 322972156 /nfs/dbraw/zinc/97/21/56/322972156.db2.gz YPTFJAYZLRRQGA-UHFFFAOYSA-N 0 3 233.315 0.930 20 0 BCADHN COCC(COC)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000668219941 487881307 /nfs/dbraw/zinc/88/13/07/487881307.db2.gz YZXXNLOPOIQQIV-CMPLNLGQSA-N 0 3 229.320 0.805 20 0 BCADHN CN1CCO[C@@H]2CCN([C@H]3CCCOC3)C[C@@H]21 ZINC000671244579 487885303 /nfs/dbraw/zinc/88/53/03/487885303.db2.gz SPWXWLCHXFTIEB-RWMBFGLXSA-N 0 3 240.347 0.570 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N2CC(CO)C2)C1 ZINC000666923181 487885317 /nfs/dbraw/zinc/88/53/17/487885317.db2.gz GCIJBHKHQIHHHG-LLVKDONJSA-N 0 3 241.335 0.104 20 0 BCADHN CN1CCO[C@@H]2CCN([C@H]3CCCOC3)C[C@H]21 ZINC000671244580 487885049 /nfs/dbraw/zinc/88/50/49/487885049.db2.gz SPWXWLCHXFTIEB-YNEHKIRRSA-N 0 3 240.347 0.570 20 0 BCADHN CC1(C)CN([C@H]2CCCOC2)CCN1CCO ZINC000682036496 487886159 /nfs/dbraw/zinc/88/61/59/487886159.db2.gz XEMSAASDLZKATD-LBPRGKRZSA-N 0 3 242.363 0.554 20 0 BCADHN CC1(C)CN(Cc2ccncc2)CCN1CCO ZINC000682036151 487886183 /nfs/dbraw/zinc/88/61/83/487886183.db2.gz JGKKBCUVDUUTRO-UHFFFAOYSA-N 0 3 249.358 0.970 20 0 BCADHN COC[C@@H](C)N1CCN(CCO)C(C)(C)C1 ZINC000682035462 487886858 /nfs/dbraw/zinc/88/68/58/487886858.db2.gz YSAFXYCMGSJNFW-LLVKDONJSA-N 0 3 230.352 0.410 20 0 BCADHN CCCN1CCN(CCO)C(C)(C)C1 ZINC000682035779 487887081 /nfs/dbraw/zinc/88/70/81/487887081.db2.gz BDFQKPRLBKGRCC-UHFFFAOYSA-N 0 3 200.326 0.785 20 0 BCADHN CC(C)N1CCN(CCO)C(C)(C)C1 ZINC000682035622 487887197 /nfs/dbraw/zinc/88/71/97/487887197.db2.gz OKVIFCGHFAMDRI-UHFFFAOYSA-N 0 3 200.326 0.783 20 0 BCADHN CO[C@H]1CCN(Cc2ccc(N)nc2)C1 ZINC000234898133 487887378 /nfs/dbraw/zinc/88/73/78/487887378.db2.gz LCEHHTAETDFOFE-JTQLQIEISA-N 0 3 207.277 0.885 20 0 BCADHN C[C@H](C[C@H]1CCOC1)NC(=O)C1(N)CC1 ZINC000309494530 487887407 /nfs/dbraw/zinc/88/74/07/487887407.db2.gz SZGOPHDMLOJTTL-RKDXNWHRSA-N 0 3 212.293 0.409 20 0 BCADHN CO[C@@H](C)CN1CCN(CCO)C(C)(C)C1 ZINC000682039667 487887959 /nfs/dbraw/zinc/88/79/59/487887959.db2.gz YASPJBUDIZQIMO-NSHDSACASA-N 0 3 230.352 0.410 20 0 BCADHN C[C@@H](CO)CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000682043373 487889032 /nfs/dbraw/zinc/88/90/32/487889032.db2.gz QUXMEBURZPFIHM-VXGBXAGGSA-N 0 3 244.379 0.392 20 0 BCADHN C[C@H]1CN(CCN2CCOCC2)CC[C@@H]1O ZINC000164621568 487890011 /nfs/dbraw/zinc/89/00/11/487890011.db2.gz SJFQGYUSJFLCMX-RYUDHWBXSA-N 0 3 228.336 0.021 20 0 BCADHN CCOC(=O)/C=C/CN(C)CCCO ZINC000300848829 645898533 /nfs/dbraw/zinc/89/85/33/645898533.db2.gz SGZZLXGNJWIVSJ-GQCTYLIASA-N 0 3 201.266 0.420 20 0 BCADHN Cc1nn(C)cc1[C@H](C)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652257603 487894069 /nfs/dbraw/zinc/89/40/69/487894069.db2.gz YDMFPGWYDYDDEP-UJNFCWOMSA-N 0 3 236.319 0.643 20 0 BCADHN CCc1nc(Cn2cc(CN)nn2)cs1 ZINC000050224934 487896246 /nfs/dbraw/zinc/89/62/46/487896246.db2.gz HERFLRGQUKAIFP-UHFFFAOYSA-N 0 3 223.305 0.804 20 0 BCADHN NC[C@@H](NC(=O)c1ccc(N)cn1)C(F)(F)F ZINC000655516576 487897980 /nfs/dbraw/zinc/89/79/80/487897980.db2.gz WHORQYSUYNOPMK-SSDOTTSWSA-N 0 3 248.208 0.283 20 0 BCADHN CCN(C)C(=O)CCN1CCCOC[C@H]1C ZINC000676712578 487900307 /nfs/dbraw/zinc/90/03/07/487900307.db2.gz AMTDRWDJZXYNOQ-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC(=O)NCCCN1CCCOC[C@@H]1C ZINC000676713148 487900873 /nfs/dbraw/zinc/90/08/73/487900873.db2.gz NOTHTMZSRDSRCI-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN OCC(CO)NC[C@H]1CCC2(CCCCC2)O1 ZINC000229295100 487901495 /nfs/dbraw/zinc/90/14/95/487901495.db2.gz GLWQUHPPMWMLTI-GFCCVEGCSA-N 0 3 243.347 0.811 20 0 BCADHN CN1CC[C@H](CNC(=O)c2ncccc2F)C1 ZINC000666911475 487903307 /nfs/dbraw/zinc/90/33/07/487903307.db2.gz VWDPOBWDEXVUPB-SECBINFHSA-N 0 3 237.278 0.902 20 0 BCADHN Cc1ncc(CN(C)CC2CN(C)C2)n1C ZINC000668539426 487905000 /nfs/dbraw/zinc/90/50/00/487905000.db2.gz VRTUIQFMEMBOAR-UHFFFAOYSA-N 0 3 222.336 0.722 20 0 BCADHN FC(F)CN(C[C@H]1CNCCO1)C1CC1 ZINC000386990825 487905030 /nfs/dbraw/zinc/90/50/30/487905030.db2.gz CCJWABBTRXOBSZ-SECBINFHSA-N 0 3 220.263 0.704 20 0 BCADHN CCCN1CC[C@H](NC(=O)N(C)C[C@H](C)O)C1 ZINC000666925254 487906081 /nfs/dbraw/zinc/90/60/81/487906081.db2.gz VAOKKDNIFMJWGD-QWRGUYRKSA-N 0 3 243.351 0.493 20 0 BCADHN CN(Cc1cnc(N(C)C)nc1)CC1CN(C)C1 ZINC000668540161 487906687 /nfs/dbraw/zinc/90/66/87/487906687.db2.gz YFXUKSWEXZMEOF-UHFFFAOYSA-N 0 3 249.362 0.536 20 0 BCADHN CN(Cc1ccn(C)n1)CC1CN(C)C1 ZINC000668539885 487906768 /nfs/dbraw/zinc/90/67/68/487906768.db2.gz PCSOBWCRZITOKJ-UHFFFAOYSA-N 0 3 208.309 0.414 20 0 BCADHN Cc1nn(C)c(C)c1CNC[C@@H]1C[C@H](F)CN1 ZINC000666945538 487909778 /nfs/dbraw/zinc/90/97/78/487909778.db2.gz WJSWHQYSQBMLPV-QWRGUYRKSA-N 0 3 240.326 0.827 20 0 BCADHN CCNC(=O)CN[C@H](COC)C1CCOCC1 ZINC000682131329 487911860 /nfs/dbraw/zinc/91/18/60/487911860.db2.gz ZAMSJBQXJVJPLY-LLVKDONJSA-N 0 3 244.335 0.154 20 0 BCADHN CCn1cnnc1CCN[C@H](C)c1cn[nH]c1 ZINC000671117777 487913898 /nfs/dbraw/zinc/91/38/98/487913898.db2.gz KSAFFBKZOBMUSV-SECBINFHSA-N 0 3 234.307 0.914 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000668543595 487916840 /nfs/dbraw/zinc/91/68/40/487916840.db2.gz XNNLKJWWNQAANS-CMPLNLGQSA-N 0 3 248.330 0.819 20 0 BCADHN CCC[C@H](O)CC(=O)NC[C@H]1CCCN(C)C1 ZINC000676750598 487917665 /nfs/dbraw/zinc/91/76/65/487917665.db2.gz PCKQCXNZUVYDNQ-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CCC[C@H](O)CC(=O)NC[C@@H]1CCCN(C)C1 ZINC000676750600 487917727 /nfs/dbraw/zinc/91/77/27/487917727.db2.gz PCKQCXNZUVYDNQ-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN COC[C@@H](C)CN1CCN(C(C)(C)CO)CC1 ZINC000682155068 487917160 /nfs/dbraw/zinc/91/71/60/487917160.db2.gz JFDUKQGQUPNTTE-LBPRGKRZSA-N 0 3 244.379 0.657 20 0 BCADHN Cn1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)n1 ZINC000679351976 487925256 /nfs/dbraw/zinc/92/52/56/487925256.db2.gz GDWIEONUNJYEAJ-PWSUYJOCSA-N 0 3 248.330 0.586 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCN(C)C(=O)C1)N(C)C ZINC000684487432 487925997 /nfs/dbraw/zinc/92/59/97/487925997.db2.gz LEKNMTJEMRZFQF-VHSXEESVSA-N 0 3 241.335 0.064 20 0 BCADHN OCCCCCN1CCc2c[nH]nc2C1 ZINC000676793157 487931339 /nfs/dbraw/zinc/93/13/39/487931339.db2.gz VHLGHPDDJZGFRI-UHFFFAOYSA-N 0 3 209.293 0.930 20 0 BCADHN CN(C)CCN(CC(=O)N(C)C)CC1CC1 ZINC000668558317 487931667 /nfs/dbraw/zinc/93/16/67/487931667.db2.gz HOKSQUBICDKUQC-UHFFFAOYSA-N 0 3 227.352 0.348 20 0 BCADHN C[C@H](CNC(=O)C[C@@H]1CNCCO1)C1CC1 ZINC000158013264 487934296 /nfs/dbraw/zinc/93/42/96/487934296.db2.gz SJVIOKRLCJOCKQ-MWLCHTKSSA-N 0 3 226.320 0.527 20 0 BCADHN CC[C@H](COC)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000668561524 487935938 /nfs/dbraw/zinc/93/59/38/487935938.db2.gz PJOSZVJNJVTRTL-AXFHLTTASA-N 0 3 249.376 0.967 20 0 BCADHN CCN(C[C@@H]1CCOC1)C(=O)C1(N)CC1 ZINC000083835032 487941361 /nfs/dbraw/zinc/94/13/61/487941361.db2.gz DMUZMKGESRWVLS-VIFPVBQESA-N 0 3 212.293 0.363 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2ccc(N)nc2)C1 ZINC000235379606 487947912 /nfs/dbraw/zinc/94/79/12/487947912.db2.gz WSAGAXCSXPYKHF-GFCCVEGCSA-N 0 3 234.303 0.361 20 0 BCADHN C[C@@]12COC[C@H]1CN(CCn1cncn1)C2 ZINC000661704411 487948478 /nfs/dbraw/zinc/94/84/78/487948478.db2.gz LRQREEFIXNRXDC-GHMZBOCLSA-N 0 3 222.292 0.246 20 0 BCADHN CCC(CC)CNC(=O)NC[C@@H]1CNCCO1 ZINC000417701867 487948746 /nfs/dbraw/zinc/94/87/46/487948746.db2.gz NDXJVRZQWOHIJV-NSHDSACASA-N 0 3 243.351 0.710 20 0 BCADHN CN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC000667159059 487951517 /nfs/dbraw/zinc/95/15/17/487951517.db2.gz SFBPJRQTTBYWFF-URLYPYJESA-N 0 3 224.304 0.089 20 0 BCADHN Cc1nccnc1C(=O)NCCN(C)C1CC1 ZINC000667159051 487951392 /nfs/dbraw/zinc/95/13/92/487951392.db2.gz RQJCCVDAZRXWLX-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN C[C@@H](N)C(=O)Nc1cnc(C2CC2)nc1 ZINC000158356734 487953978 /nfs/dbraw/zinc/95/39/78/487953978.db2.gz QKDYTFSEZYLAIK-ZCFIWIBFSA-N 0 3 206.249 0.640 20 0 BCADHN CCC[C@@H](C)NC(=O)NC[C@@](C)(O)CN(C)C ZINC000677004659 487954877 /nfs/dbraw/zinc/95/48/77/487954877.db2.gz TWTWWZZRLAEYQG-ZYHUDNBSSA-N 0 3 245.367 0.787 20 0 BCADHN COC[C@@H](OC)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000667182884 487954884 /nfs/dbraw/zinc/95/48/84/487954884.db2.gz KJUXROFAZNNRQD-GXSJLCMTSA-N 0 3 242.319 0.001 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)CNC2CC2)n1 ZINC000564835288 322935745 /nfs/dbraw/zinc/93/57/45/322935745.db2.gz ODKHZTOCUFNSCZ-ZCFIWIBFSA-N 0 3 224.264 0.307 20 0 BCADHN CN[C@@H](C)C(=O)N(C)[C@H](C)C(=O)NC(C)(C)C ZINC000569590600 322971568 /nfs/dbraw/zinc/97/15/68/322971568.db2.gz MHQAUFMVQMFDOW-DTWKUNHWSA-N 0 3 243.351 0.356 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1c(C)noc1C ZINC000566474962 323000147 /nfs/dbraw/zinc/00/01/47/323000147.db2.gz WDSNYOYZQDMKCX-QMMMGPOBSA-N 0 3 225.292 0.558 20 0 BCADHN CCc1ncncc1C(=O)N(C)CCN(C)C ZINC000531126498 323005148 /nfs/dbraw/zinc/00/51/48/323005148.db2.gz JGVWXCRVZRLGQP-UHFFFAOYSA-N 0 3 236.319 0.673 20 0 BCADHN OC[C@@H]1CCN(CCOC2CCC2)C[C@H]1O ZINC000561784349 323006955 /nfs/dbraw/zinc/00/69/55/323006955.db2.gz ZNEXEIVBJFQDPT-CMPLNLGQSA-N 0 3 229.320 0.231 20 0 BCADHN C[C@H](F)CCN1CC[C@@H](CO)[C@H](O)C1 ZINC000561786734 323006976 /nfs/dbraw/zinc/00/69/76/323006976.db2.gz VQRBFTLEJGMDOD-LPEHRKFASA-N 0 3 205.273 0.410 20 0 BCADHN Cc1cnn(CCN2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000564723895 323008707 /nfs/dbraw/zinc/00/87/07/323008707.db2.gz AQPQAQMJJJMDAC-LLVKDONJSA-N 0 3 246.318 0.799 20 0 BCADHN Cc1cnccc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000566687477 323010753 /nfs/dbraw/zinc/01/07/53/323010753.db2.gz KTKVGPMPUKFSKD-RYUDHWBXSA-N 0 3 249.314 0.137 20 0 BCADHN CC(C)OCCCC(=O)NCCN(C)C ZINC000130858221 323012114 /nfs/dbraw/zinc/01/21/14/323012114.db2.gz RQHJCIXWHFIPNP-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN CNC(=O)CNC1(CC(=O)OC)CCCCC1 ZINC000562359458 323017714 /nfs/dbraw/zinc/01/77/14/323017714.db2.gz INGDXCLWASEWHM-UHFFFAOYSA-N 0 3 242.319 0.588 20 0 BCADHN CN1C(=O)C[C@@H](N2CC[C@@H](CC3CC3)C2)C1=O ZINC000562512106 323022198 /nfs/dbraw/zinc/02/21/98/323022198.db2.gz ILKRGXWFSVSJKP-WDEREUQCSA-N 0 3 236.315 0.866 20 0 BCADHN O=C(NC[C@@H]1CCN(C2CC2)C1)C1CC(=O)C1 ZINC000136565376 323032024 /nfs/dbraw/zinc/03/20/24/323032024.db2.gz CJRHGQDEARORSM-VIFPVBQESA-N 0 3 236.315 0.566 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C(N)C(F)(F)F)CCO1 ZINC000569721125 323038631 /nfs/dbraw/zinc/03/86/31/323038631.db2.gz KQZQQRMRDBJDGJ-QYNIQEEDSA-N 0 3 240.225 0.560 20 0 BCADHN COCCN(C)CCNC(=O)[C@@]1(C)CCCO1 ZINC000150900412 323039671 /nfs/dbraw/zinc/03/96/71/323039671.db2.gz XTUADMRLUIQMPV-GFCCVEGCSA-N 0 3 244.335 0.250 20 0 BCADHN CSc1ccccc1CNC(CO)CO ZINC000572732492 323039752 /nfs/dbraw/zinc/03/97/52/323039752.db2.gz FSFLJIMKFPJYPN-UHFFFAOYSA-N 0 3 227.329 0.851 20 0 BCADHN CN(C)CCSC[C@H]1CNC(=O)C1 ZINC000569824483 323041631 /nfs/dbraw/zinc/04/16/31/323041631.db2.gz BIQOERPUFYWWHU-MRVPVSSYSA-N 0 3 202.323 0.417 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)[C@H](O)C1CC1 ZINC000668575665 487957300 /nfs/dbraw/zinc/95/73/00/487957300.db2.gz MENYQLBHDDNMAQ-VXGBXAGGSA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@H](N)C(=O)NCCc1nc(C)oc1C ZINC000569925344 323044709 /nfs/dbraw/zinc/04/47/09/323044709.db2.gz DGXZQNIFXNOOFV-VIFPVBQESA-N 0 3 225.292 0.687 20 0 BCADHN COC[C@H](O)CCN[C@H](C)c1cncnc1C ZINC000569941927 323045506 /nfs/dbraw/zinc/04/55/06/323045506.db2.gz VHLUQWQYZKPNIO-MWLCHTKSSA-N 0 3 239.319 0.833 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000569957506 323045714 /nfs/dbraw/zinc/04/57/14/323045714.db2.gz LDFANWHOJZFQRW-BBBLOLIVSA-N 0 3 212.293 0.219 20 0 BCADHN COCCNCC(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC000572604782 323046457 /nfs/dbraw/zinc/04/64/57/323046457.db2.gz YMAPVPKBHZQIQE-NXEZZACHSA-N 0 3 232.299 0.619 20 0 BCADHN CSC[C@H](O)CNCCc1nnc(C)s1 ZINC000570038667 323048055 /nfs/dbraw/zinc/04/80/55/323048055.db2.gz GRRZWQCPVSZDOO-MRVPVSSYSA-N 0 3 247.389 0.703 20 0 BCADHN COC[C@@H](O)CNCc1ccccc1CO ZINC000570212276 323052914 /nfs/dbraw/zinc/05/29/14/323052914.db2.gz MJBYRSNJZNKBPZ-LBPRGKRZSA-N 0 3 225.288 0.276 20 0 BCADHN C[C@@H](CN[C@@H]1CS[C@H](C)C1)S(C)(=O)=O ZINC000570272910 323054526 /nfs/dbraw/zinc/05/45/26/323054526.db2.gz HLRXZJWJYBEXBK-VGMNWLOBSA-N 0 3 237.390 0.903 20 0 BCADHN Cc1nccn1CCCCn1nnnc1CN ZINC000572758605 323057377 /nfs/dbraw/zinc/05/73/77/323057377.db2.gz SKKZVDWRYWWZMJ-UHFFFAOYSA-N 0 3 235.295 0.117 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cccc(N(C)C)n1 ZINC000570391527 323058201 /nfs/dbraw/zinc/05/82/01/323058201.db2.gz ZOWDSGSGWBYDHZ-QMMMGPOBSA-N 0 3 238.291 0.060 20 0 BCADHN CNC(=O)CCCN1CCO[C@]2(CCOC2)C1 ZINC000570407711 323058740 /nfs/dbraw/zinc/05/87/40/323058740.db2.gz JPMJLQJDCTYSFU-GFCCVEGCSA-N 0 3 242.319 0.004 20 0 BCADHN COC[C@H](C)N1CCC(N2CN=NC2=O)CC1 ZINC000570469723 323060585 /nfs/dbraw/zinc/06/05/85/323060585.db2.gz OWOKQGYENSIQMW-VIFPVBQESA-N 0 3 240.307 0.656 20 0 BCADHN CNC(=O)N[C@@H]1CCN(C[C@H](C)COC)C1 ZINC000570584908 323063550 /nfs/dbraw/zinc/06/35/50/323063550.db2.gz VNALIFMCXMMVDS-VHSXEESVSA-N 0 3 229.324 0.272 20 0 BCADHN O=C(CCOC1CNC1)N[C@@H]1CCCOCC1 ZINC000570675394 323066766 /nfs/dbraw/zinc/06/67/66/323066766.db2.gz JOARQMVTDZCYHI-SNVBAGLBSA-N 0 3 242.319 0.050 20 0 BCADHN Cn1ccnc1[C@@H]1CCN(CCOCCO)C1 ZINC000570694337 323067347 /nfs/dbraw/zinc/06/73/47/323067347.db2.gz FZFAPRPAKUDBID-LLVKDONJSA-N 0 3 239.319 0.218 20 0 BCADHN CC(=O)NCCN(C)CCCc1cncn1C ZINC000570694571 323067608 /nfs/dbraw/zinc/06/76/08/323067608.db2.gz PNRXKZVKEHVTJS-UHFFFAOYSA-N 0 3 238.335 0.421 20 0 BCADHN CCN1C[C@@H](C)N(C(=O)c2cnc[nH]2)[C@H](C)C1 ZINC000570696919 323067729 /nfs/dbraw/zinc/06/77/29/323067729.db2.gz SUHRVWBMHGQOAF-NXEZZACHSA-N 0 3 236.319 0.964 20 0 BCADHN C[C@H]1CCN(CCNC(=O)CCC(C)(C)O)C1 ZINC000570705218 323068049 /nfs/dbraw/zinc/06/80/49/323068049.db2.gz VMQUMBZLKWFRTF-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)NC(=O)NCCN(C)C[C@H]1CCCO1 ZINC000570714630 323068334 /nfs/dbraw/zinc/06/83/34/323068334.db2.gz RHQQYARXRMQMCN-LLVKDONJSA-N 0 3 243.351 0.805 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](C)Cn1ccnc1C ZINC000570740067 323069235 /nfs/dbraw/zinc/06/92/35/323069235.db2.gz YKOXRINUVOJXIL-ZJUUUORDSA-N 0 3 238.335 0.552 20 0 BCADHN CCN1CCN(CC2=CCCOC2)CC1 ZINC000157432885 323069553 /nfs/dbraw/zinc/06/95/53/323069553.db2.gz GOTKODAEHYAOOB-UHFFFAOYSA-N 0 3 210.321 0.971 20 0 BCADHN CO[C@@H](CN(C)[C@H]1CCC(=O)N(C)C1)C1CC1 ZINC000570823227 323071777 /nfs/dbraw/zinc/07/17/77/323071777.db2.gz ITJZZONIJDTPEV-RYUDHWBXSA-N 0 3 240.347 0.964 20 0 BCADHN FC1(CNCCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000570898555 323073809 /nfs/dbraw/zinc/07/38/09/323073809.db2.gz IFNYXWZHCYWOAT-PHIMTYICSA-N 0 3 228.311 0.941 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1cnccn1 ZINC000082279139 323075193 /nfs/dbraw/zinc/07/51/93/323075193.db2.gz IUNCHKBMRKTMAP-SECBINFHSA-N 0 3 220.276 0.301 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCCCO1 ZINC000082303074 323075451 /nfs/dbraw/zinc/07/54/51/323075451.db2.gz IJHYIMOWZWPYNM-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CC[C@](C)(CO)C(=O)NC1CCN(C)CC1 ZINC000570940821 323076060 /nfs/dbraw/zinc/07/60/60/323076060.db2.gz WTXBYTJMXWJFIF-GFCCVEGCSA-N 0 3 228.336 0.605 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN[C@H]1CCC[C@H]1F ZINC000562998847 323078885 /nfs/dbraw/zinc/07/88/85/323078885.db2.gz RNSHKTIAEUKFIN-QCNOEVLYSA-N 0 3 249.326 0.879 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H]1CO[C@H](C)C1 ZINC000563036833 323080907 /nfs/dbraw/zinc/08/09/07/323080907.db2.gz OBFYRPXJYJQPGQ-ZJUUUORDSA-N 0 3 229.324 0.415 20 0 BCADHN CC[C@@H](C)C(=O)NCCN(CC)CCO ZINC000183923384 323082681 /nfs/dbraw/zinc/08/26/81/323082681.db2.gz DWKZSXIPACWYSH-SNVBAGLBSA-N 0 3 216.325 0.463 20 0 BCADHN Cc1cccc(CCN2C[C@@H](O)C[C@H]2CO)n1 ZINC000563062186 323083615 /nfs/dbraw/zinc/08/36/15/323083615.db2.gz WRDHYNDFUUYNEX-STQMWFEESA-N 0 3 236.315 0.360 20 0 BCADHN Cc1nccn1CCCNC(=O)C1(N)CCC1 ZINC000563064900 323083915 /nfs/dbraw/zinc/08/39/15/323083915.db2.gz KIVOVWAHXNWDTA-UHFFFAOYSA-N 0 3 236.319 0.579 20 0 BCADHN C[C@H]1CCN(CCNC(=O)C2(O)CCCC2)C1 ZINC000531260275 323086772 /nfs/dbraw/zinc/08/67/72/323086772.db2.gz WEUHIEWJYWVLLG-NSHDSACASA-N 0 3 240.347 0.750 20 0 BCADHN CC(=O)N[C@H](C(=O)N(C)CCN(C)C)C(C)C ZINC000531357366 323088071 /nfs/dbraw/zinc/08/80/71/323088071.db2.gz MMFKNWFYKDXTFR-NSHDSACASA-N 0 3 243.351 0.167 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)c1nncn1C ZINC000040490538 323089902 /nfs/dbraw/zinc/08/99/02/323089902.db2.gz WSVYZNZWWYNPPS-HLTSFMKQSA-N 0 3 239.323 0.366 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CCCO1 ZINC000040487109 323089934 /nfs/dbraw/zinc/08/99/34/323089934.db2.gz NIKPPDXTUAZYJI-BBBLOLIVSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000188283313 323090736 /nfs/dbraw/zinc/09/07/36/323090736.db2.gz SZPIJVMLLAXGAD-DCAQKATOSA-N 0 3 243.351 0.803 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)C1CCOCC1 ZINC000563117422 323093359 /nfs/dbraw/zinc/09/33/59/323093359.db2.gz ZIJQCHRTHRINFN-SECBINFHSA-N 0 3 248.273 0.526 20 0 BCADHN C[C@@H](N[C@H](CO)CC(F)(F)F)[C@H](C)O ZINC000563138871 323095123 /nfs/dbraw/zinc/09/51/23/323095123.db2.gz VUPXXJDKKSXRRH-VQVTYTSYSA-N 0 3 215.215 0.659 20 0 BCADHN CN(C)C1(CNc2ccnc(C(N)=O)c2)CC1 ZINC000397799987 323096548 /nfs/dbraw/zinc/09/65/48/323096548.db2.gz AFKULPPVVQBVIT-UHFFFAOYSA-N 0 3 234.303 0.109 20 0 BCADHN COC(=O)[C@H](NC(=O)CN)c1ccsc1 ZINC000563160186 323097336 /nfs/dbraw/zinc/09/73/36/323097336.db2.gz MQTUPPOZVFGUPV-MRVPVSSYSA-N 0 3 228.273 0.037 20 0 BCADHN COc1ccnc(NCC2(N(C)C)CC2)n1 ZINC000397854559 323098371 /nfs/dbraw/zinc/09/83/71/323098371.db2.gz WDPIBPKIVMVKNN-UHFFFAOYSA-N 0 3 222.292 0.991 20 0 BCADHN CC(C)SCC(=O)NC[C@](C)(O)CN(C)C ZINC000228752466 323100235 /nfs/dbraw/zinc/10/02/35/323100235.db2.gz LUTHMKKMVYVZFG-NSHDSACASA-N 0 3 248.392 0.557 20 0 BCADHN COC1(CCN2CC(C)(C(N)=O)C2)CCC1 ZINC000570960152 323101644 /nfs/dbraw/zinc/10/16/44/323101644.db2.gz SKLCUOKIYIAMEV-UHFFFAOYSA-N 0 3 226.320 0.753 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CO[C@H](C)C1 ZINC000570969764 323102381 /nfs/dbraw/zinc/10/23/81/323102381.db2.gz JOJYUBRDDHFJRV-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@@H]2CCC(=O)C2)C1 ZINC000570968099 323102413 /nfs/dbraw/zinc/10/24/13/323102413.db2.gz OBPLUGGXEWLEAV-WDEREUQCSA-N 0 3 238.331 0.814 20 0 BCADHN Cc1cc(CC(=O)N[C@H]2CCN(C3CC3)C2)n[nH]1 ZINC000531509859 323109189 /nfs/dbraw/zinc/10/91/89/323109189.db2.gz CXZFGCSBGWJQLD-JTQLQIEISA-N 0 3 248.330 0.614 20 0 BCADHN Cc1cc(CC(=O)N[C@H]2CCN(C3CC3)C2)[nH]n1 ZINC000531509859 323109190 /nfs/dbraw/zinc/10/91/90/323109190.db2.gz CXZFGCSBGWJQLD-JTQLQIEISA-N 0 3 248.330 0.614 20 0 BCADHN CC[C@H](C(=O)NCc1cc(C)on1)N(C)C ZINC000531680025 323110996 /nfs/dbraw/zinc/11/09/96/323110996.db2.gz ITSITPGRHBUGMM-SNVBAGLBSA-N 0 3 225.292 0.939 20 0 BCADHN CC(C(=O)NC1(C2CC2)CC1)S(C)(=O)=O ZINC000531867232 323118552 /nfs/dbraw/zinc/11/85/52/323118552.db2.gz GPNGJYJYJSFIPO-ZETCQYMHSA-N 0 3 231.317 0.478 20 0 BCADHN CN(C)C(=O)CCCN1CCN(C)C(C)(C)C1 ZINC000563354245 323120272 /nfs/dbraw/zinc/12/02/72/323120272.db2.gz NDEQDVBXLNGZJD-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CC1(CO)CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000563406707 323123209 /nfs/dbraw/zinc/12/32/09/323123209.db2.gz BACQYLCUZDJQAU-UHFFFAOYSA-N 0 3 240.347 0.559 20 0 BCADHN CN[C@H](C)C(=O)NCCNc1cccc(C)n1 ZINC000563412501 323124692 /nfs/dbraw/zinc/12/46/92/323124692.db2.gz FWPZHEXAHDALCT-SNVBAGLBSA-N 0 3 236.319 0.526 20 0 BCADHN CCN(Cc1cnn(C)c1)C(=O)[C@H](C)NC ZINC000563414040 323124899 /nfs/dbraw/zinc/12/48/99/323124899.db2.gz YHKFOAHWVRDVIW-VIFPVBQESA-N 0 3 224.308 0.377 20 0 BCADHN O=C1NCC[C@@]12CCCN2CCCn1ccnc1 ZINC000565168185 323128949 /nfs/dbraw/zinc/12/89/49/323128949.db2.gz BNSGSYMDKGTTIO-ZDUSSCGKSA-N 0 3 248.330 0.628 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H](CO)C1)N(C)C ZINC000152180152 323131848 /nfs/dbraw/zinc/13/18/48/323131848.db2.gz LKKAEHRMUPZQDX-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN CSCCCN(C)CCNC(C)=O ZINC000308200503 323133767 /nfs/dbraw/zinc/13/37/67/323133767.db2.gz XUZNPYALPJWPFC-UHFFFAOYSA-N 0 3 204.339 0.807 20 0 BCADHN COC(=O)CC1(NC[C@@H]2CCCNC2=O)CC1 ZINC000571169850 323137405 /nfs/dbraw/zinc/13/74/05/323137405.db2.gz QUKQUBHGNQIGBG-VIFPVBQESA-N 0 3 240.303 0.198 20 0 BCADHN NC1(C(=O)NCCn2cnnc2C2CC2)CCC1 ZINC000571287594 323140359 /nfs/dbraw/zinc/14/03/59/323140359.db2.gz HYYHJHOWLZZXRN-UHFFFAOYSA-N 0 3 249.318 0.153 20 0 BCADHN CC(C)CC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC000571551704 323147727 /nfs/dbraw/zinc/14/77/27/323147727.db2.gz GBERHHSBDUYWRG-WDEREUQCSA-N 0 3 228.336 0.604 20 0 BCADHN CN(C[C@@H](O)CC1(O)CCC1)[C@H]1CCCOC1 ZINC000528509067 323150851 /nfs/dbraw/zinc/15/08/51/323150851.db2.gz RFZVJYXQGOTJCM-RYUDHWBXSA-N 0 3 243.347 0.763 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@H](CCCO)C1 ZINC000452132668 323151469 /nfs/dbraw/zinc/15/14/69/323151469.db2.gz QUGBUBRHJUUYDK-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN COc1ccc(C(=O)NC[C@H]2CCCN2C)cn1 ZINC000049096096 323157511 /nfs/dbraw/zinc/15/75/11/323157511.db2.gz VLGPELLTRPAMMM-LLVKDONJSA-N 0 3 249.314 0.914 20 0 BCADHN OCC1CCN(CCOC[C@H]2CCCO2)CC1 ZINC000304399648 323164407 /nfs/dbraw/zinc/16/44/07/323164407.db2.gz WFGXHPMJESLHNF-CYBMUJFWSA-N 0 3 243.347 0.886 20 0 BCADHN Cc1ocnc1C(=O)NCCNc1ccncc1 ZINC000535261560 323169223 /nfs/dbraw/zinc/16/92/23/323169223.db2.gz OAYGOJNVNHAVLT-UHFFFAOYSA-N 0 3 246.270 0.642 20 0 BCADHN CC[C@H](C(=O)N1CCC(CCO)CC1)N(C)C ZINC000535420713 323173083 /nfs/dbraw/zinc/17/30/83/323173083.db2.gz GUWFHEVAGVRIRF-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN CO[C@@H](C)CNC(C)(C)C(=O)N(C)C ZINC000308547801 323175275 /nfs/dbraw/zinc/17/52/75/323175275.db2.gz WFNYDGSXOXUYMQ-QMMMGPOBSA-N 0 3 202.298 0.478 20 0 BCADHN CCN1C[C@H](N[C@@H](C)[C@H](C)OC)CC1=O ZINC000391533612 323176164 /nfs/dbraw/zinc/17/61/64/323176164.db2.gz ZQCFDDWVHAZYDS-LPEHRKFASA-N 0 3 214.309 0.620 20 0 BCADHN CCN1C[C@H](N[C@@H]2C[C@H](C)O[C@H]2C)CC1=O ZINC000391546689 323176848 /nfs/dbraw/zinc/17/68/48/323176848.db2.gz QORYHJTXAMGESK-UKKRHICBSA-N 0 3 226.320 0.763 20 0 BCADHN COCCCN(C)CCNC(=O)C(C)C ZINC000152334449 323177016 /nfs/dbraw/zinc/17/70/16/323177016.db2.gz LRQOJJNIQUOQHU-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN COCCN(CC1(CO)COC1)C1CC1 ZINC000308752500 323177761 /nfs/dbraw/zinc/17/77/61/323177761.db2.gz RLGSGADYPRCWAE-UHFFFAOYSA-N 0 3 215.293 0.106 20 0 BCADHN Cc1cccc(CNC(=O)C(N)C(F)(F)F)n1 ZINC000563808068 323178578 /nfs/dbraw/zinc/17/85/78/323178578.db2.gz MAVVOIXVTSOLJA-MRVPVSSYSA-N 0 3 247.220 0.896 20 0 BCADHN C[C@@H]1CN(CC[C@H]2CCNC2=O)[C@H](C)CO1 ZINC000563856309 323181070 /nfs/dbraw/zinc/18/10/70/323181070.db2.gz TZUZUSBRMXUAIZ-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN CC(C)NC(=O)CN1C[C@H](C)C[C@H](CO)C1 ZINC000398627113 323187318 /nfs/dbraw/zinc/18/73/18/323187318.db2.gz MTYWLBJDPZNBMM-MNOVXSKESA-N 0 3 228.336 0.461 20 0 BCADHN CCN(C)C(=O)CN1C[C@H](CO)C[C@H](C)C1 ZINC000398628396 323187353 /nfs/dbraw/zinc/18/73/53/323187353.db2.gz NLCOTKURPIHCLB-WDEREUQCSA-N 0 3 228.336 0.415 20 0 BCADHN CC[C@H](CCO)NCc1ccnc(OC)n1 ZINC000395117374 323187604 /nfs/dbraw/zinc/18/76/04/323187604.db2.gz FEOYAKHSSDLFFJ-SECBINFHSA-N 0 3 225.292 0.736 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@H](CO)[C@@H]1C ZINC000395123399 323188098 /nfs/dbraw/zinc/18/80/98/323188098.db2.gz VLXITIMSQGPNEB-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN CC(C(=O)NC(C)(C)C1CC1)S(C)(=O)=O ZINC000535743614 323190079 /nfs/dbraw/zinc/19/00/79/323190079.db2.gz MTLQGEXIJDKHCV-ZETCQYMHSA-N 0 3 233.333 0.724 20 0 BCADHN CO[C@@H](CNC(=O)[C@H](N)C1CCC1)C(C)C ZINC000399089965 323196684 /nfs/dbraw/zinc/19/66/84/323196684.db2.gz SUYXKNYPUHBLCA-WDEREUQCSA-N 0 3 228.336 0.901 20 0 BCADHN CC(=O)C[C@H](C)NC(=O)[C@H]1CCN(C)C1 ZINC000536593026 323198354 /nfs/dbraw/zinc/19/83/54/323198354.db2.gz WJVMENKPLBJTLQ-WPRPVWTQSA-N 0 3 212.293 0.422 20 0 BCADHN COC(C)(C)CNC(=O)[C@H](N)C1CCC1 ZINC000399252369 323201988 /nfs/dbraw/zinc/20/19/88/323201988.db2.gz LUUFHDSCPWRBJW-SECBINFHSA-N 0 3 214.309 0.655 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC)COC ZINC000070626208 323205189 /nfs/dbraw/zinc/20/51/89/323205189.db2.gz GISRZOVPSZBEPO-GUBZILKMSA-N 0 3 216.325 0.901 20 0 BCADHN CC[C@@H]1[C@H](CO)CCN1CC(=O)N1CCCC1 ZINC000395226914 323222174 /nfs/dbraw/zinc/22/21/74/323222174.db2.gz UPHGAIUXJXGTAV-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN COCCCNC(=O)[C@H](C)N1CCCC1 ZINC000042243817 323245329 /nfs/dbraw/zinc/24/53/29/323245329.db2.gz YIVHOEFJNKLXJD-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN O=C(COC1CNC1)Nc1cc(Cl)ccn1 ZINC000571673983 323319854 /nfs/dbraw/zinc/31/98/54/323319854.db2.gz KYTKCAGBWCAXJE-UHFFFAOYSA-N 0 3 241.678 0.662 20 0 BCADHN COCCOC[C@@H](O)CN[C@H]1CCC[C@H]1F ZINC000563953083 323333512 /nfs/dbraw/zinc/33/35/12/323333512.db2.gz ZFACNSRKMSZADU-AXFHLTTASA-N 0 3 235.299 0.491 20 0 BCADHN CC[C@H](CN(C)[C@H]1CCC(=O)N(C)C1)OC ZINC000563969281 323335741 /nfs/dbraw/zinc/33/57/41/323335741.db2.gz PDGMBUBLVFVXNP-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CN(CCO)CCOC[C@@H]1CCCO1 ZINC000304283500 323339916 /nfs/dbraw/zinc/33/99/16/323339916.db2.gz CIMXIXGSQCZCDD-JTQLQIEISA-N 0 3 203.282 0.106 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)C[C@H]1CCCO1 ZINC000309388265 323365852 /nfs/dbraw/zinc/36/58/52/323365852.db2.gz FISYOMCZOANQEO-OPRDCNLKSA-N 0 3 214.309 0.798 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCN1CC[C@@H](C)C1 ZINC000309409200 323381257 /nfs/dbraw/zinc/38/12/57/323381257.db2.gz 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213.306 0.848 20 0 BCADHN COc1ccc2c(c1)CCN(C(=O)[C@H](C)N)C2 ZINC000083888084 487959636 /nfs/dbraw/zinc/95/96/36/487959636.db2.gz JROBVZYSOMSBOA-VIFPVBQESA-N 0 3 234.299 0.927 20 0 BCADHN CNCC(=O)N[C@@H](C)c1cnc(C)s1 ZINC000083889535 487959682 /nfs/dbraw/zinc/95/96/82/487959682.db2.gz MWOCMUDJOFDAAC-LURJTMIESA-N 0 3 213.306 0.848 20 0 BCADHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H](O)C1CC1 ZINC000667215757 487959735 /nfs/dbraw/zinc/95/97/35/487959735.db2.gz OLULSDAZWDXZAY-RYUDHWBXSA-N 0 3 242.363 0.850 20 0 BCADHN COCC(C)(C)NCC(=O)NCC(C)C ZINC000122353668 324045104 /nfs/dbraw/zinc/04/51/04/324045104.db2.gz RXZSQVQQBDDLNY-UHFFFAOYSA-N 0 3 216.325 0.773 20 0 BCADHN Cc1cc(C(=O)NCC2=CCN(C)CC2)ncn1 ZINC000537240886 324060959 /nfs/dbraw/zinc/06/09/59/324060959.db2.gz GTPOVBDFLZGIPI-UHFFFAOYSA-N 0 3 246.314 0.777 20 0 BCADHN CCOC(=O)CCNC1(C(N)=O)CCCCC1 ZINC000123130376 324085287 /nfs/dbraw/zinc/08/52/87/324085287.db2.gz QFAXYLYYHVMZTH-UHFFFAOYSA-N 0 3 242.319 0.717 20 0 BCADHN 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CC[C@H](C)[C@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000572519553 324179182 /nfs/dbraw/zinc/17/91/82/324179182.db2.gz MKAFZVYZCVIYCI-SDDRHHMPSA-N 0 3 241.379 0.770 20 0 BCADHN C[C@H]1CN(CCN2CCC[C@@](C)(O)C2)CCO1 ZINC000192782096 324200212 /nfs/dbraw/zinc/20/02/12/324200212.db2.gz ZHMCDHFAOGRMGK-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H](C(=O)N1CC[C@H](N(C)C)C1)N1CC(C)C1 ZINC000565181355 324205850 /nfs/dbraw/zinc/20/58/50/324205850.db2.gz NQUXQZZYWDSTCN-RYUDHWBXSA-N 0 3 239.363 0.489 20 0 BCADHN C[C@@H](N[C@@H]1CS[C@@H](C)C1)C(=O)N(C)C ZINC000227501009 487962659 /nfs/dbraw/zinc/96/26/59/487962659.db2.gz YXFHOMBMMSNLIJ-YIZRAAEISA-N 0 3 216.350 0.947 20 0 BCADHN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)N[C@H](CO)CN(C)C ZINC000529387998 324284182 /nfs/dbraw/zinc/28/41/82/324284182.db2.gz NLEAFKFAMXPLMJ-VGDYDELISA-N 0 3 240.347 0.317 20 0 BCADHN CCN1CC[C@H](NC(=O)Cn2cncc2C)C1 ZINC000529492718 324313622 /nfs/dbraw/zinc/31/36/22/324313622.db2.gz PKVIHHOQWPBZFK-NSHDSACASA-N 0 3 236.319 0.402 20 0 BCADHN 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324632317 /nfs/dbraw/zinc/63/23/17/324632317.db2.gz JXLWLQOGMOYYHJ-SECBINFHSA-N 0 3 220.276 0.590 20 0 BCADHN CCCNC(=O)CCNCc1ccnn1CC ZINC000125277178 324636440 /nfs/dbraw/zinc/63/64/40/324636440.db2.gz MORUUVQPWRXSSY-UHFFFAOYSA-N 0 3 238.335 0.909 20 0 BCADHN CC(=O)Nc1ccccc1NC(=O)[C@@H](C)N ZINC000083905048 487964131 /nfs/dbraw/zinc/96/41/31/487964131.db2.gz DJUBJLRFBWHGSJ-SSDOTTSWSA-N 0 3 221.260 0.931 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccc2c1NC(=O)CO2 ZINC000083912550 487964730 /nfs/dbraw/zinc/96/47/30/487964730.db2.gz JNXLPBTYSMMKOM-ZCFIWIBFSA-N 0 3 235.243 0.303 20 0 BCADHN Nc1ccc(CN[C@H]2CC(=O)N(C3CC3)C2)cn1 ZINC000647551145 487965711 /nfs/dbraw/zinc/96/57/11/487965711.db2.gz ZUERXVLLOQPBEW-JTQLQIEISA-N 0 3 246.314 0.517 20 0 BCADHN C[C@@H](N[C@@H]1CN(C2CC2)C[C@@H]1C)C(=O)N(C)C ZINC000540219604 324893322 /nfs/dbraw/zinc/89/33/22/324893322.db2.gz BTEXOGCJSCYXLH-HOSYDEDBSA-N 0 3 239.363 0.535 20 0 BCADHN Cn1cc(CNC2(C3CC3)CC2)c(=O)n(C)c1=O ZINC000540613117 324908153 /nfs/dbraw/zinc/90/81/53/324908153.db2.gz XXYCUWACCZQSRP-UHFFFAOYSA-N 0 3 249.314 0.116 20 0 BCADHN Cc1ccccc1[C@H](CO)NCCOCCO ZINC000541054159 324944783 /nfs/dbraw/zinc/94/47/83/324944783.db2.gz MALUBIXMJMGHPW-ZDUSSCGKSA-N 0 3 239.315 0.627 20 0 BCADHN C[NH2+]CCN(C)C(=O)c1ccc(OC)cc1[O-] ZINC000070303599 325003898 /nfs/dbraw/zinc/00/38/98/325003898.db2.gz DGHIFNSBSWZEJD-UHFFFAOYSA-N 0 3 238.287 0.692 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](CCO)CSC ZINC000130058763 325009252 /nfs/dbraw/zinc/00/92/52/325009252.db2.gz LHEKGJDJYIPVPQ-JTQLQIEISA-N 0 3 248.392 0.558 20 0 BCADHN CCOC(=O)C[C@@H](C)N(C)CC1(CO)COC1 ZINC000542260117 325018114 /nfs/dbraw/zinc/01/81/14/325018114.db2.gz SDXZEJYITXZSBM-SNVBAGLBSA-N 0 3 245.319 0.269 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@]2(C)CCOC2)C1 ZINC000542591790 325036581 /nfs/dbraw/zinc/03/65/81/325036581.db2.gz MGZUBROAVWDGJK-WCQYABFASA-N 0 3 240.347 0.871 20 0 BCADHN CN(CCC(=O)N1CC[C@H](O)C1)c1ccncc1 ZINC000542785005 325047353 /nfs/dbraw/zinc/04/73/53/325047353.db2.gz 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CCN(C)CCNC(=O)[C@H](C)CC(=O)OC ZINC000133345647 325288587 /nfs/dbraw/zinc/28/85/87/325288587.db2.gz NZYJBPAAUIZICE-SECBINFHSA-N 0 3 230.308 0.254 20 0 BCADHN CN(CC1CC1)C(=O)CN1CCC[C@@]1(C)CO ZINC000546809574 325312588 /nfs/dbraw/zinc/31/25/88/325312588.db2.gz WIKVXNJVEYQSTI-ZDUSSCGKSA-N 0 3 240.347 0.702 20 0 BCADHN CCNC(=O)CN1CC[C@@H](COCCOC)C1 ZINC000075952764 325323009 /nfs/dbraw/zinc/32/30/09/325323009.db2.gz OZDXMBOMUNQMDM-LLVKDONJSA-N 0 3 244.335 0.107 20 0 BCADHN CN(C)CCNC(=O)NC[C@H]1CCCS1 ZINC000133862004 325324766 /nfs/dbraw/zinc/32/47/66/325324766.db2.gz DHLCYVPHJPBDNU-SECBINFHSA-N 0 3 231.365 0.743 20 0 BCADHN C[C@H]1OCC[C@H]1NC[C@H](O)C(F)(F)F ZINC000133994820 325336335 /nfs/dbraw/zinc/33/63/35/325336335.db2.gz UUONINLBPDQSGY-QYNIQEEDSA-N 0 3 213.199 0.677 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H]1CCCC[C@@H]1O)N(C)C ZINC000134096773 325342712 /nfs/dbraw/zinc/34/27/12/325342712.db2.gz ADDZTSJPUIWYMN-SRVKXCTJSA-N 0 3 242.363 0.992 20 0 BCADHN COCC(C)(C)NCC(=O)NC(C)(C)C 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ZINC000153928101 326120687 /nfs/dbraw/zinc/12/06/87/326120687.db2.gz LEDHBHQPQZEBOI-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H](O)C1CCCCC1 ZINC000154413339 326143017 /nfs/dbraw/zinc/14/30/17/326143017.db2.gz YTVHFHJHROXURP-QWRGUYRKSA-N 0 3 228.336 0.781 20 0 BCADHN C[C@H](C(=O)NCc1ncccc1[O-])C1C[NH2+]C1 ZINC000567232712 326147550 /nfs/dbraw/zinc/14/75/50/326147550.db2.gz FBXRADCEFCRURK-QMMMGPOBSA-N 0 3 235.287 0.259 20 0 BCADHN CCCC[C@H](N)C(=O)NCCn1cnnc1C ZINC000154585147 326151936 /nfs/dbraw/zinc/15/19/36/326151936.db2.gz IIQINTLXKYXPIN-JTQLQIEISA-N 0 3 239.323 0.220 20 0 BCADHN CCN(C)CCNC(=O)[C@@]1(C)CCCO1 ZINC000154617224 326153471 /nfs/dbraw/zinc/15/34/71/326153471.db2.gz KEANFFXYLHGZSN-LLVKDONJSA-N 0 3 214.309 0.623 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1COc2cc(F)ccc2C1 ZINC000567292101 326156776 /nfs/dbraw/zinc/15/67/76/326156776.db2.gz FNJFUTFULSNIQS-OIBJUYFYSA-N 0 3 238.262 0.593 20 0 BCADHN C[C@H]1CCN(CCNCc2ccnn2C)C1 ZINC000309826092 326170227 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0.868 20 0 BCADHN CC[C@H](C)C[C@H](NC(=O)[C@@H]1C[C@@H]1N)C(=O)OC ZINC000567925250 326283782 /nfs/dbraw/zinc/28/37/82/326283782.db2.gz GXCPPWNLBFUKMG-JXUBOQSCSA-N 0 3 242.319 0.428 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@]1(C)CCOC1 ZINC000157722597 326292813 /nfs/dbraw/zinc/29/28/13/326292813.db2.gz FVHWOKAIVITRNL-NSHDSACASA-N 0 3 214.309 0.622 20 0 BCADHN CNCC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000568085734 326304442 /nfs/dbraw/zinc/30/44/42/326304442.db2.gz WIUYBBGJYILYAD-ZJUUUORDSA-N 0 3 212.293 0.280 20 0 BCADHN O=C(CNC[C@H]1CCCO1)N[C@H]1CC=CCC1 ZINC000568101470 326308049 /nfs/dbraw/zinc/30/80/49/326308049.db2.gz AFDILULRCRCPRZ-NWDGAFQWSA-N 0 3 238.331 0.980 20 0 BCADHN C[C@@H]1CN(C)CCN1C(=O)CC(F)(F)CN ZINC000568152848 326314104 /nfs/dbraw/zinc/31/41/04/326314104.db2.gz NDZAOYPWGDXLNF-MRVPVSSYSA-N 0 3 235.278 0.133 20 0 BCADHN C[C@H]1CN(C)CCN1C(=O)CC(F)(F)CN ZINC000568152849 326314234 /nfs/dbraw/zinc/31/42/34/326314234.db2.gz NDZAOYPWGDXLNF-QMMMGPOBSA-N 0 3 235.278 0.133 20 0 BCADHN COCCN1C(=O)C[C@H](NC(C)(C)C)C1=O ZINC000568161884 326316639 /nfs/dbraw/zinc/31/66/39/326316639.db2.gz LASGRLRHENQGJB-QMMMGPOBSA-N 0 3 228.292 0.148 20 0 BCADHN CN[C@H]1CC(=O)N(c2ccc(F)cc2F)C1=O ZINC000568161848 326316760 /nfs/dbraw/zinc/31/67/60/326316760.db2.gz KHAVMHGALBATGX-QMMMGPOBSA-N 0 3 240.209 0.816 20 0 BCADHN CNC(=O)CCCN1CCO[C@H]2CCC[C@H]21 ZINC000568168664 326318716 /nfs/dbraw/zinc/31/87/16/326318716.db2.gz NVACFQMXGUFPRS-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CCN1CCN(CCCC(=O)NC)[C@@H](C)C1 ZINC000568176081 326320573 /nfs/dbraw/zinc/32/05/73/326320573.db2.gz PKRUZMVNPBGONA-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN CN(CCC(N)=O)C(=O)CN1CCC(C)(C)C1 ZINC000568212669 326327191 /nfs/dbraw/zinc/32/71/91/326327191.db2.gz GTDYRBZHUMMVKW-UHFFFAOYSA-N 0 3 241.335 0.052 20 0 BCADHN CC1(C)CCN(CC(=O)NCCCCCO)C1 ZINC000568217259 326327704 /nfs/dbraw/zinc/32/77/04/326327704.db2.gz MJMFOASIVOPETH-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN C[C@@H](CN(C)C)Nc1cc(=O)n(C)cn1 ZINC000568248078 326334342 /nfs/dbraw/zinc/33/43/42/326334342.db2.gz GZVUGUFAKZFYEI-QMMMGPOBSA-N 0 3 210.281 0.142 20 0 BCADHN CC(C)(O)CN1CCCN(C(=O)C2CC2)CC1 ZINC000158689836 326337521 /nfs/dbraw/zinc/33/75/21/326337521.db2.gz YAVWDPWBRVNEEP-UHFFFAOYSA-N 0 3 240.347 0.702 20 0 BCADHN CC(C)[C@H](O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000568463075 326357682 /nfs/dbraw/zinc/35/76/82/326357682.db2.gz WLXDHAJCKVXQQB-MNOVXSKESA-N 0 3 228.336 0.461 20 0 BCADHN COCCNCCNC(=O)[C@@]1(C)CCCOC1 ZINC000568509324 326360913 /nfs/dbraw/zinc/36/09/13/326360913.db2.gz HCUYSSCAHAEKDT-LBPRGKRZSA-N 0 3 244.335 0.155 20 0 BCADHN Cc1cc(C)nc(N2C[C@H](O)[C@@H](N(C)C)C2)n1 ZINC000568814701 326377863 /nfs/dbraw/zinc/37/78/63/326377863.db2.gz HGWITDMFAHSTAA-QWRGUYRKSA-N 0 3 236.319 0.205 20 0 BCADHN CCO[C@@H]1C[C@@H]1N[C@H](C1CC1)[C@H]1CNCCO1 ZINC000568868730 326379481 /nfs/dbraw/zinc/37/94/81/326379481.db2.gz CMSQLSPCWPVUNP-UMSGYPCISA-N 0 3 240.347 0.520 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000568866984 326380126 /nfs/dbraw/zinc/38/01/26/326380126.db2.gz MLKKBTJEVVYIKF-USZNOCQGSA-N 0 3 240.347 0.997 20 0 BCADHN COCC[C@@H]1CCCCN(C(=O)CN)C1 ZINC000568867850 326380198 /nfs/dbraw/zinc/38/01/98/326380198.db2.gz UUCGDPXDYUYSIA-JTQLQIEISA-N 0 3 214.309 0.610 20 0 BCADHN COC(=O)[C@@H]1CN(C)CCN(CC2(F)CC2)C1 ZINC000568962100 326383815 /nfs/dbraw/zinc/38/38/15/326383815.db2.gz QWIHNLKVOJAKND-SNVBAGLBSA-N 0 3 244.310 0.525 20 0 BCADHN c1[nH]c2nccnc2c1CNC[C@H]1COCCO1 ZINC000568982573 326384436 /nfs/dbraw/zinc/38/44/36/326384436.db2.gz AIEUTJIOBWEGMQ-JTQLQIEISA-N 0 3 248.286 0.415 20 0 BCADHN CC[C@@H](COC)N[C@@H]1COC[C@H]1OC ZINC000569003596 326386328 /nfs/dbraw/zinc/38/63/28/326386328.db2.gz PGRRTGYNBISTSC-IVZWLZJFSA-N 0 3 203.282 0.415 20 0 BCADHN CCN1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000569067969 326388480 /nfs/dbraw/zinc/38/84/80/326388480.db2.gz PPBOHGDZHCDVAW-GHMZBOCLSA-N 0 3 217.309 0.352 20 0 BCADHN C[C@H](O)CNCC(=O)N(C)Cc1ccccc1 ZINC000569095362 326389471 /nfs/dbraw/zinc/38/94/71/326389471.db2.gz PLDLVCLVYZMAPG-NSHDSACASA-N 0 3 236.315 0.615 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCCOCC2)C1 ZINC000569136745 326392562 /nfs/dbraw/zinc/39/25/62/326392562.db2.gz FYBPDXKIOYTLMN-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCCOCC2)C1 ZINC000569136743 326392519 /nfs/dbraw/zinc/39/25/19/326392519.db2.gz FYBPDXKIOYTLMN-LLVKDONJSA-N 0 3 226.320 0.577 20 0 BCADHN CCO[C@@H]1C[C@H]1NC(=O)CN1CC[C@@H](C)C1 ZINC000569138326 326392666 /nfs/dbraw/zinc/39/26/66/326392666.db2.gz QHTRQGCUUFXSDL-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN CC(=O)N1CC(N[C@H]2CCOC3(CCC3)C2)C1 ZINC000569238291 326397046 /nfs/dbraw/zinc/39/70/46/326397046.db2.gz MFUPDRNNFVGKEG-NSHDSACASA-N 0 3 238.331 0.908 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc2nc(C)nn2c1 ZINC000569241408 326397203 /nfs/dbraw/zinc/39/72/03/326397203.db2.gz YILKRMUVGLLCAT-VIFPVBQESA-N 0 3 233.275 0.714 20 0 BCADHN CC(C)OC1CCN(C(=O)C2(N)CC2)CC1 ZINC000572869424 326416030 /nfs/dbraw/zinc/41/60/30/326416030.db2.gz ZHBJVUORPYSSIN-UHFFFAOYSA-N 0 3 226.320 0.894 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cnc2n[nH]c(C)c2c1 ZINC000573019218 326425108 /nfs/dbraw/zinc/42/51/08/326425108.db2.gz QOXWVRUHPDXEOI-ZETCQYMHSA-N 0 3 233.275 0.813 20 0 BCADHN Cc1ccc(CCNC(=O)C(C)(C)N)cn1 ZINC000166648842 326433624 /nfs/dbraw/zinc/43/36/24/326433624.db2.gz DGLVAZXBNPQEDN-UHFFFAOYSA-N 0 3 221.304 0.786 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H](C)[C@@H](C)O ZINC000573197238 326434626 /nfs/dbraw/zinc/43/46/26/326434626.db2.gz HLSKWYLACDSKDS-SGIHWFKDSA-N 0 3 203.282 0.149 20 0 BCADHN CN[C@@H](C)C(=O)NCCCCOCCOC ZINC000166992599 326438252 /nfs/dbraw/zinc/43/82/52/326438252.db2.gz NHZSYRCJLMZQKJ-JTQLQIEISA-N 0 3 232.324 0.154 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000653203924 487974876 /nfs/dbraw/zinc/97/48/76/487974876.db2.gz CYRNJIJCSVSSAU-DOLQZWNJSA-N 0 3 224.304 0.421 20 0 BCADHN O=C(CC1=CCCCC1)NC[C@H]1CNCCO1 ZINC000134256841 487975631 /nfs/dbraw/zinc/97/56/31/487975631.db2.gz YQGXZQNGVWGAGE-GFCCVEGCSA-N 0 3 238.331 0.982 20 0 BCADHN O=C(CC1=CCCCC1)NC[C@@H]1CNCCO1 ZINC000134256817 487975815 /nfs/dbraw/zinc/97/58/15/487975815.db2.gz YQGXZQNGVWGAGE-LBPRGKRZSA-N 0 3 238.331 0.982 20 0 BCADHN COCCCNCc1ccc(S(N)(=O)=O)o1 ZINC000083967818 487975829 /nfs/dbraw/zinc/97/58/29/487975829.db2.gz XELLLCLGDTYFKL-UHFFFAOYSA-N 0 3 248.304 0.053 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)CC1CCCCC1 ZINC000673521355 487979794 /nfs/dbraw/zinc/97/97/94/487979794.db2.gz PXLXFIQZQVFEDN-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@H](CO)CC1)N(C)C ZINC000340981685 487980005 /nfs/dbraw/zinc/98/00/05/487980005.db2.gz CABNIHOAWFNSMF-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CNC(=O)[C@@H]1CCCN(Cc2ccc(N)nc2)C1 ZINC000220373835 487980204 /nfs/dbraw/zinc/98/02/04/487980204.db2.gz WOPGFJKOTVZAGF-LLVKDONJSA-N 0 3 248.330 0.622 20 0 BCADHN CCO[C@H]1C[C@H](N[C@@H]2COC[C@@H]2O)C1(C)C ZINC000134394434 487981992 /nfs/dbraw/zinc/98/19/92/487981992.db2.gz GSDVXXGGMQWBBM-RCWTZXSCSA-N 0 3 229.320 0.539 20 0 BCADHN O=C1NCC[C@@H]1NC1Cc2ccccc2C1 ZINC000309552858 487986051 /nfs/dbraw/zinc/98/60/51/487986051.db2.gz GMUIPDMJLMEDTC-LBPRGKRZSA-N 0 3 216.284 0.632 20 0 BCADHN C[C@H](C(=O)N[C@H](CO)CN(C)C)C1CC1 ZINC000673522456 487986303 /nfs/dbraw/zinc/98/63/03/487986303.db2.gz QGRNGXHPVMZNKR-WPRPVWTQSA-N 0 3 214.309 0.071 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000668598693 487986808 /nfs/dbraw/zinc/98/68/08/487986808.db2.gz MKAZPLAMIQOONM-WDEREUQCSA-N 0 3 207.277 0.675 20 0 BCADHN CC(C)OCCNC[C@@H](O)C(F)(F)F ZINC000159040393 487988387 /nfs/dbraw/zinc/98/83/87/487988387.db2.gz LZRZQOCGDMFKRG-SSDOTTSWSA-N 0 3 215.215 0.924 20 0 BCADHN CCN1CCN(Cc2ncc[nH]2)C[C@H]1C ZINC000677191793 487994145 /nfs/dbraw/zinc/99/41/45/487994145.db2.gz LHIUOCHKWOGOKS-SNVBAGLBSA-N 0 3 208.309 0.936 20 0 BCADHN CN(C)CCN(C)C(=O)NCCOCCF ZINC000667396790 487995638 /nfs/dbraw/zinc/99/56/38/487995638.db2.gz HKERPYNVIZQQFT-UHFFFAOYSA-N 0 3 235.303 0.176 20 0 BCADHN CC[C@H](C(N)=O)N1CCC(CF)CC1 ZINC000451388937 487995647 /nfs/dbraw/zinc/99/56/47/487995647.db2.gz NZTAMRKVPDHGEY-SECBINFHSA-N 0 3 202.273 0.932 20 0 BCADHN CCN1CCN(Cc2ncc[nH]2)C[C@@H]1C ZINC000677191792 487995264 /nfs/dbraw/zinc/99/52/64/487995264.db2.gz LHIUOCHKWOGOKS-JTQLQIEISA-N 0 3 208.309 0.936 20 0 BCADHN NCc1cn([C@@H]2CCCCC[C@H]2O)nn1 ZINC000084082778 487996729 /nfs/dbraw/zinc/99/67/29/487996729.db2.gz FURVCKWZEPSGHT-NXEZZACHSA-N 0 3 210.281 0.603 20 0 BCADHN CCN1CCN(Cc2nccn2C)C[C@@H]1C ZINC000677194313 487998954 /nfs/dbraw/zinc/99/89/54/487998954.db2.gz HECHVEXXWMJGKE-NSHDSACASA-N 0 3 222.336 0.946 20 0 BCADHN CCN1CC[C@@H](N[C@H](COC)C(C)C)C1=O ZINC000309668684 487999258 /nfs/dbraw/zinc/99/92/58/487999258.db2.gz VFPJFPBYWZSUAK-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@@H](C)NC(=O)Cn1cc([C@H](N)CC)nn1 ZINC000229933647 487999778 /nfs/dbraw/zinc/99/97/78/487999778.db2.gz YYAPZOMVUFSELQ-RKDXNWHRSA-N 0 3 239.323 0.603 20 0 BCADHN CCCn1ncnc1Cn1cc([C@H](N)CC)nn1 ZINC000229934558 487999601 /nfs/dbraw/zinc/99/96/01/487999601.db2.gz PMCHJJKFBLRDRV-SECBINFHSA-N 0 3 249.322 0.738 20 0 BCADHN CC[C@@H](N)c1cn(Cc2cnn(C)c2)nn1 ZINC000229936528 487999647 /nfs/dbraw/zinc/99/96/47/487999647.db2.gz AFCOZMDMAHOBPX-SECBINFHSA-N 0 3 220.280 0.470 20 0 BCADHN CCN(C#N)CCN1CC[C@H](C)[C@@H](CO)C1 ZINC000602913638 488000797 /nfs/dbraw/zinc/00/07/97/488000797.db2.gz QPRVOSCXZBPMRW-NWDGAFQWSA-N 0 3 225.336 0.740 20 0 BCADHN CC[C@@H](N)c1cn(C[C@@H](O)C(F)(F)F)nn1 ZINC000229935846 488001681 /nfs/dbraw/zinc/00/16/81/488001681.db2.gz RPSFDGJMDNLAPJ-IYSWYEEDSA-N 0 3 238.213 0.611 20 0 BCADHN CCN(C#N)CCN(C)C[C@H]1C[C@@H](O)C1 ZINC000602916522 488002667 /nfs/dbraw/zinc/00/26/67/488002667.db2.gz GWYCGRBOCHCYPZ-PHIMTYICSA-N 0 3 211.309 0.492 20 0 BCADHN C[C@@H]1CCCN1C(=O)NCCOCCN(C)C ZINC000471653547 533713810 /nfs/dbraw/zinc/71/38/10/533713810.db2.gz OUQJZGOFUISFST-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN CC[C@H](N)c1cn(CC(=O)N(CC)CC)nn1 ZINC000229946421 488005625 /nfs/dbraw/zinc/00/56/25/488005625.db2.gz JTASYMNFCMDZAY-VIFPVBQESA-N 0 3 239.323 0.556 20 0 BCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ncc[nH]1 ZINC000669118280 488006298 /nfs/dbraw/zinc/00/62/98/488006298.db2.gz KRYSQCWJBPIUEI-ZJUUUORDSA-N 0 3 236.319 0.822 20 0 BCADHN O[C@]1(CNCc2n[nH]c3ccccc32)CCOC1 ZINC000677247238 488005983 /nfs/dbraw/zinc/00/59/83/488005983.db2.gz OVQYYTSZWNXMRM-ZDUSSCGKSA-N 0 3 247.298 0.804 20 0 BCADHN O[C@]1(CNCc2[nH]nc3ccccc32)CCOC1 ZINC000677247238 488005988 /nfs/dbraw/zinc/00/59/88/488005988.db2.gz OVQYYTSZWNXMRM-ZDUSSCGKSA-N 0 3 247.298 0.804 20 0 BCADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ncc[nH]1 ZINC000669118277 488006327 /nfs/dbraw/zinc/00/63/27/488006327.db2.gz KRYSQCWJBPIUEI-UWVGGRQHSA-N 0 3 236.319 0.822 20 0 BCADHN Cc1cnn(C)c1NC(=O)N(C)CCN(C)C ZINC000667439491 488007061 /nfs/dbraw/zinc/00/70/61/488007061.db2.gz OSJMTZIIALEYLY-UHFFFAOYSA-N 0 3 239.323 0.754 20 0 BCADHN CC[C@@H](N)c1cn(CCCn2ccnc2)nn1 ZINC000229949648 488007650 /nfs/dbraw/zinc/00/76/50/488007650.db2.gz QDGUBKAHZMKACH-SNVBAGLBSA-N 0 3 234.307 0.975 20 0 BCADHN C[C@@H]1C[C@@H]1CN[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000682672741 488008997 /nfs/dbraw/zinc/00/89/97/488008997.db2.gz HHUSBBYMGGCLHN-FOGDFJRCSA-N 0 3 248.330 0.771 20 0 BCADHN CCC[C@H](N)c1cn(CCCCO)nn1 ZINC000229958209 488009905 /nfs/dbraw/zinc/00/99/05/488009905.db2.gz GGKGGPAKTJCHNC-VIFPVBQESA-N 0 3 212.297 0.851 20 0 BCADHN CC1(C)C[C@H](N[C@H]2CCCS(=O)(=O)C2)CO1 ZINC000396792567 488010866 /nfs/dbraw/zinc/01/08/66/488010866.db2.gz UDOKDQSSEWEDJT-UWVGGRQHSA-N 0 3 247.360 0.721 20 0 BCADHN C[C@H](Cc1ccccn1)NCc1cnnn1C ZINC000655842665 488012541 /nfs/dbraw/zinc/01/25/41/488012541.db2.gz DLRXGUMJWOONIN-SNVBAGLBSA-N 0 3 231.303 0.931 20 0 BCADHN CCC[C@H](N)c1cn([C@@H](C)C(=O)N(C)C)nn1 ZINC000229962791 488013937 /nfs/dbraw/zinc/01/39/37/488013937.db2.gz JFRHBMYDYAICAR-IUCAKERBSA-N 0 3 239.323 0.727 20 0 BCADHN Cc1ncc(CN2CCC[C@H](CO)C2)n1C ZINC000667462588 488013566 /nfs/dbraw/zinc/01/35/66/488013566.db2.gz NBGOFHQZGRIADN-NSHDSACASA-N 0 3 223.320 0.933 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC000677314304 488014351 /nfs/dbraw/zinc/01/43/51/488014351.db2.gz BVARZXKSDFBJBS-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN CCC[C@H](N)c1cn(CC(=O)N(C)CC)nn1 ZINC000229967501 488015275 /nfs/dbraw/zinc/01/52/75/488015275.db2.gz RDQIHOGSFAVWDP-VIFPVBQESA-N 0 3 239.323 0.556 20 0 BCADHN Cc1ncc(CN2CCC[C@@H](CO)C2)n1C ZINC000667462587 488015016 /nfs/dbraw/zinc/01/50/16/488015016.db2.gz NBGOFHQZGRIADN-LLVKDONJSA-N 0 3 223.320 0.933 20 0 BCADHN CSC[C@@H](O)CN1CCC[C@@H](OCCO)C1 ZINC000493262969 533715644 /nfs/dbraw/zinc/71/56/44/533715644.db2.gz VPUDGJDIUGJBOB-WDEREUQCSA-N 0 3 249.376 0.184 20 0 BCADHN Cc1ncc(CN2CC[C@H](C(N)=O)C2)n1C ZINC000667471012 488017823 /nfs/dbraw/zinc/01/78/23/488017823.db2.gz UCYNMCNOOPGJDU-VIFPVBQESA-N 0 3 222.292 0.036 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000257362001 488019799 /nfs/dbraw/zinc/01/97/99/488019799.db2.gz LVQYSQBKRRJDIT-SGIHWFKDSA-N 0 3 210.277 0.114 20 0 BCADHN CN1CCN(C[C@H]2CCSC2)CCC1=O ZINC000668620214 488021721 /nfs/dbraw/zinc/02/17/21/488021721.db2.gz DGKKDJTTZWXHOQ-SNVBAGLBSA-N 0 3 228.361 0.904 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2cncn2C)nn1 ZINC000229968849 488027175 /nfs/dbraw/zinc/02/71/75/488027175.db2.gz VXTNNLJHVUSEOM-SNVBAGLBSA-N 0 3 234.307 0.860 20 0 BCADHN CCC[C@H](N)c1cn(CC(C)(C)O)nn1 ZINC000229971439 488028975 /nfs/dbraw/zinc/02/89/75/488028975.db2.gz WIIFTDYOPZBNRZ-QMMMGPOBSA-N 0 3 212.297 0.849 20 0 BCADHN CC[C@H](O)CNCc1cccc(OC)n1 ZINC000229975274 488029112 /nfs/dbraw/zinc/02/91/12/488029112.db2.gz FNNZGUPIVUOGTL-JTQLQIEISA-N 0 3 210.277 0.951 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2ccnnc2)CCN1C ZINC000677407989 488030869 /nfs/dbraw/zinc/03/08/69/488030869.db2.gz JZWUJCRQXJDYPT-MWLCHTKSSA-N 0 3 234.303 0.689 20 0 BCADHN C[C@H](O)CCCN(CC(N)=O)C1CCCC1 ZINC000682759504 488032093 /nfs/dbraw/zinc/03/20/93/488032093.db2.gz PZTIDNAWSNKDEU-JTQLQIEISA-N 0 3 228.336 0.877 20 0 BCADHN CN1CCC[C@H](NC(=O)c2cccc(=O)n2C)C1 ZINC000677423789 488033849 /nfs/dbraw/zinc/03/38/49/488033849.db2.gz ZKGFGBQXNSFIMJ-JTQLQIEISA-N 0 3 249.314 0.209 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000677438639 488036662 /nfs/dbraw/zinc/03/66/62/488036662.db2.gz IQDAEXJMMWISQA-TXEJJXNPSA-N 0 3 242.363 0.996 20 0 BCADHN COC1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000491683827 488037311 /nfs/dbraw/zinc/03/73/11/488037311.db2.gz AZGQOKPTFJDQNX-PLNGDYQASA-N 0 3 226.320 0.742 20 0 BCADHN CSC[C@@H](O)CN1CCOCC2(CC2)C1 ZINC000494807709 533718411 /nfs/dbraw/zinc/71/84/11/533718411.db2.gz GDAYYSWHANQZOF-JTQLQIEISA-N 0 3 231.361 0.823 20 0 BCADHN C[C@@H](O)CN(C)CCO[C@@H]1CC1(F)F ZINC000659952581 488042125 /nfs/dbraw/zinc/04/21/25/488042125.db2.gz JRTRRMKJUODCOZ-HTQZYQBOSA-N 0 3 209.236 0.723 20 0 BCADHN CN(CC(=O)NC1CC1)[C@H](CN)C(F)(F)F ZINC000037169649 488042208 /nfs/dbraw/zinc/04/22/08/488042208.db2.gz ZCRWYXZUTQPYCP-SSDOTTSWSA-N 0 3 239.241 0.086 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)n1 ZINC000685474534 488043490 /nfs/dbraw/zinc/04/34/90/488043490.db2.gz AJPZQNMXHNFUHF-JTQLQIEISA-N 0 3 249.314 0.793 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](CC(N)=O)C2)n1 ZINC000685474534 488043492 /nfs/dbraw/zinc/04/34/92/488043492.db2.gz AJPZQNMXHNFUHF-JTQLQIEISA-N 0 3 249.314 0.793 20 0 BCADHN COC[C@@H](O)CN[C@@H]1CCCC(F)(F)[C@H]1O ZINC000518185516 488044332 /nfs/dbraw/zinc/04/43/32/488044332.db2.gz OYJZLQZWYLZRGG-YIZRAAEISA-N 0 3 239.262 0.132 20 0 BCADHN CC1(OCC(=O)NCC2CCC2)CNC1 ZINC000165831171 488045425 /nfs/dbraw/zinc/04/54/25/488045425.db2.gz ONEVZDOEHWUPOI-UHFFFAOYSA-N 0 3 212.293 0.281 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)COC1(C)CNC1 ZINC000165830759 488045856 /nfs/dbraw/zinc/04/58/56/488045856.db2.gz GGIKZZYRLDYFDF-RKDXNWHRSA-N 0 3 212.293 0.137 20 0 BCADHN CC1(OCC(=O)NCC2CCCC2)CNC1 ZINC000165830484 488045966 /nfs/dbraw/zinc/04/59/66/488045966.db2.gz JHOWQOMFXAHNOP-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN CN(C(=O)[C@@H](O)C1CC1)[C@@H]1CCCN(C)C1 ZINC000669179295 488045735 /nfs/dbraw/zinc/04/57/35/488045735.db2.gz WAXRGYAOQSSELF-MNOVXSKESA-N 0 3 226.320 0.310 20 0 BCADHN CC[C@H](C)[C@@H](C)NC(=O)COC1(C)CNC1 ZINC000165836382 488046044 /nfs/dbraw/zinc/04/60/44/488046044.db2.gz KVHNHFXXHODBEZ-VHSXEESVSA-N 0 3 228.336 0.916 20 0 BCADHN NC[C@@H](C(=O)NCCCCO)c1ccccc1 ZINC000236168551 488046201 /nfs/dbraw/zinc/04/62/01/488046201.db2.gz PKMDRPJQKUCCBK-GFCCVEGCSA-N 0 3 236.315 0.618 20 0 BCADHN CN(C(=O)COC1(C)CNC1)[C@H]1CCSC1 ZINC000165854051 488047305 /nfs/dbraw/zinc/04/73/05/488047305.db2.gz WHPLJCWOOKQAEJ-VIFPVBQESA-N 0 3 244.360 0.329 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2ncc[nH]2)CCN1C ZINC000669181699 488049231 /nfs/dbraw/zinc/04/92/31/488049231.db2.gz HUNAKZNQSMYXKH-IUCAKERBSA-N 0 3 222.292 0.622 20 0 BCADHN NC1(C(=O)NCCCCO)CCCC1 ZINC000236187038 488049797 /nfs/dbraw/zinc/04/97/97/488049797.db2.gz VTZBGXVFQNFKRG-UHFFFAOYSA-N 0 3 200.282 0.147 20 0 BCADHN CO[C@@]1(CO)CCCN(C[C@H]2CCCO2)C1 ZINC000401707404 488049924 /nfs/dbraw/zinc/04/99/24/488049924.db2.gz FOXXRPYGHOHRCO-NEPJUHHUSA-N 0 3 229.320 0.639 20 0 BCADHN CO[C@]1(CO)CCCN(C[C@@H]2CCCO2)C1 ZINC000401707405 488050262 /nfs/dbraw/zinc/05/02/62/488050262.db2.gz FOXXRPYGHOHRCO-NWDGAFQWSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CC2)CCN1C ZINC000669182878 488050664 /nfs/dbraw/zinc/05/06/64/488050664.db2.gz NQWQKLHPOVBESK-MNOVXSKESA-N 0 3 239.363 0.680 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2ccc(N)nc2)C1 ZINC000091432441 488053185 /nfs/dbraw/zinc/05/31/85/488053185.db2.gz ACAPGSNABKGUSU-NSHDSACASA-N 0 3 248.330 0.830 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1cnco1 ZINC000677504051 488054534 /nfs/dbraw/zinc/05/45/34/488054534.db2.gz REQSXFKKMGAADK-VIFPVBQESA-N 0 3 223.276 0.889 20 0 BCADHN Cc1nc(CN[C@H]2C[C@@H](O)C23CCC3)n[nH]1 ZINC000661828396 488054618 /nfs/dbraw/zinc/05/46/18/488054618.db2.gz TYECOOPAFMDNMW-DTWKUNHWSA-N 0 3 222.292 0.506 20 0 BCADHN NC(=O)Nc1cccc(NC(=O)C2(N)CCC2)c1 ZINC000147736503 488055610 /nfs/dbraw/zinc/05/56/10/488055610.db2.gz CUMCUXPGDYAFGG-UHFFFAOYSA-N 0 3 248.286 0.997 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)NC[C@H](C)OC ZINC000249026171 488057656 /nfs/dbraw/zinc/05/76/56/488057656.db2.gz AIQYAJKPXYKSPR-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CO[C@]1(CO)CCCN(CCn2cccn2)C1 ZINC000401733885 488059661 /nfs/dbraw/zinc/05/96/61/488059661.db2.gz WPFOPTKWIWVBNP-GFCCVEGCSA-N 0 3 239.319 0.356 20 0 BCADHN Cc1cc(C(=O)NC[C@@H](C)N(C)C)ncn1 ZINC000677513714 488061685 /nfs/dbraw/zinc/06/16/85/488061685.db2.gz OVHSLJHAZYOGIG-SECBINFHSA-N 0 3 222.292 0.465 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N[C@H](CN)C(F)(F)F ZINC000401748485 488062084 /nfs/dbraw/zinc/06/20/84/488062084.db2.gz WJUHPKXLUNSSRJ-HSUXUTPPSA-N 0 3 210.199 0.648 20 0 BCADHN NC[C@H](NC(=O)C[C@@H]1CCCO1)C(F)(F)F ZINC000401750221 488062651 /nfs/dbraw/zinc/06/26/51/488062651.db2.gz NDSWBGDJZXHBFH-BQBZGAKWSA-N 0 3 240.225 0.561 20 0 BCADHN COCCOCCN(C)CCC(=O)N1CCC1 ZINC000677519166 488063060 /nfs/dbraw/zinc/06/30/60/488063060.db2.gz POVBJVQNIJNACW-UHFFFAOYSA-N 0 3 244.335 0.204 20 0 BCADHN CN1CC[C@@H](CNC(=O)c2cnco2)C1 ZINC000677521119 488063703 /nfs/dbraw/zinc/06/37/03/488063703.db2.gz BHKRRDJIWCLYOY-QMMMGPOBSA-N 0 3 209.249 0.356 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)NCCOC ZINC000675153238 488065666 /nfs/dbraw/zinc/06/56/66/488065666.db2.gz KAJDBIAFUXJRBE-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN COCCN1CC[C@@H](NC(=O)N[C@@H]2C[C@H]2C)C1 ZINC000671204897 488067079 /nfs/dbraw/zinc/06/70/79/488067079.db2.gz UQHCGTRFRKPOJD-GMTAPVOTSA-N 0 3 241.335 0.415 20 0 BCADHN CN(CCc1ccnn1C)C[C@@H](O)C1CC1 ZINC000670080923 488067727 /nfs/dbraw/zinc/06/77/27/488067727.db2.gz CQJSZJFETTTXIJ-GFCCVEGCSA-N 0 3 223.320 0.665 20 0 BCADHN Cc1nccc(C(=O)N[C@@H](CN)C(F)(F)F)n1 ZINC000401819754 488068927 /nfs/dbraw/zinc/06/89/27/488068927.db2.gz ZNURFXUXQGQAGH-ZETCQYMHSA-N 0 3 248.208 0.404 20 0 BCADHN CCN(CC)C(=O)N[C@@H](CN)C(F)(F)F ZINC000401865488 488071029 /nfs/dbraw/zinc/07/10/29/488071029.db2.gz ZVJARSVATLUQJX-LURJTMIESA-N 0 3 227.230 0.927 20 0 BCADHN NC[C@@H](NC(=O)N1CCCC1)C(F)(F)F ZINC000401862857 488071801 /nfs/dbraw/zinc/07/18/01/488071801.db2.gz YLWJJOKMRLMRAB-ZCFIWIBFSA-N 0 3 225.214 0.681 20 0 BCADHN COCCCN(C)CCNC(=O)c1cnco1 ZINC000677557445 488073143 /nfs/dbraw/zinc/07/31/43/488073143.db2.gz RSSXFEVIZGKTQZ-UHFFFAOYSA-N 0 3 241.291 0.373 20 0 BCADHN O[C@H]1CN(C[C@@H]2CCOc3ccccc32)C[C@@H]1O ZINC000236588678 488075638 /nfs/dbraw/zinc/07/56/38/488075638.db2.gz GRQJTYCDTYDYFT-DRZSPHRISA-N 0 3 249.310 0.590 20 0 BCADHN CC[C@@H]1CC[C@H](C)N1C(=O)CN1CCNCC1 ZINC000136114585 488081945 /nfs/dbraw/zinc/08/19/45/488081945.db2.gz YNFLUAMBXRZNPS-NWDGAFQWSA-N 0 3 239.363 0.681 20 0 BCADHN Cn1nccc1CCN1CC[C@@H](n2cncn2)C1 ZINC000670088339 488083566 /nfs/dbraw/zinc/08/35/66/488083566.db2.gz QGLLYDLMMSPZSB-GFCCVEGCSA-N 0 3 246.318 0.501 20 0 BCADHN O=C(NCCC1CC1)NC[C@@H]1CNCCO1 ZINC000669504344 488091529 /nfs/dbraw/zinc/09/15/29/488091529.db2.gz NVQRENGHDYHLDQ-JTQLQIEISA-N 0 3 227.308 0.074 20 0 BCADHN O[C@@H]1C[C@H]2CN(CCc3ccccc3)CCN2C1 ZINC000034407803 488091023 /nfs/dbraw/zinc/09/10/23/488091023.db2.gz GOTJRLCYVVPXIM-LSDHHAIUSA-N 0 3 246.354 0.980 20 0 BCADHN CC[C@@H](N)C(=O)NC1(CC)CCOCC1 ZINC000389398859 488093722 /nfs/dbraw/zinc/09/37/22/488093722.db2.gz HNLCWUYNBWATBK-SECBINFHSA-N 0 3 214.309 0.799 20 0 BCADHN CNS(=O)(=O)CCCN1CCC2(CC2)CC1 ZINC000677718235 488099776 /nfs/dbraw/zinc/09/97/76/488099776.db2.gz SMEAKRBIJWEJHW-UHFFFAOYSA-N 0 3 246.376 0.802 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC2(CCOC2)CC1 ZINC000677718444 488100239 /nfs/dbraw/zinc/10/02/39/488100239.db2.gz BVVSYJFAJOVANA-JTQLQIEISA-N 0 3 226.320 0.753 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N(C)CC[C@H](C)O ZINC000158333927 488101094 /nfs/dbraw/zinc/10/10/94/488101094.db2.gz LPQWLONITIQSJJ-VHSXEESVSA-N 0 3 216.325 0.589 20 0 BCADHN Cc1cncc(CCNCc2cncn2C)n1 ZINC000402804923 488102750 /nfs/dbraw/zinc/10/27/50/488102750.db2.gz BJZLNQIMIQNVTP-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN COCC1(N(C)CCN2CCCC2=O)CC1 ZINC000677728326 488105360 /nfs/dbraw/zinc/10/53/60/488105360.db2.gz USMYQZCKHLICOU-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN CCN(C[C@@H](COC)OC)[C@@H]1CCOC1 ZINC000660595426 488105406 /nfs/dbraw/zinc/10/54/06/488105406.db2.gz DLCILPSNZBYEIX-MNOVXSKESA-N 0 3 217.309 0.759 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@@H]2CSCN2)C1 ZINC000389692045 488105744 /nfs/dbraw/zinc/10/57/44/488105744.db2.gz FLINPTVPIPWDCG-UWVGGRQHSA-N 0 3 243.376 0.249 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@H]2CSCN2)C1 ZINC000389692046 488105979 /nfs/dbraw/zinc/10/59/79/488105979.db2.gz FLINPTVPIPWDCG-VHSXEESVSA-N 0 3 243.376 0.249 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000389706399 488107043 /nfs/dbraw/zinc/10/70/43/488107043.db2.gz DEZBLWVLAXXFQO-WDEREUQCSA-N 0 3 241.379 0.960 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CCOC[C@@H]1CCCO1 ZINC000677728809 488107062 /nfs/dbraw/zinc/10/70/62/488107062.db2.gz WVSJVUHNNICTHJ-UTUOFQBUSA-N 0 3 229.320 0.637 20 0 BCADHN O=C(COC1CNC1)N[C@H]1CC=CCC1 ZINC000570458857 487536905 /nfs/dbraw/zinc/53/69/05/487536905.db2.gz KLFYFIPXGUWLEA-VIFPVBQESA-N 0 3 210.277 0.200 20 0 BCADHN CCCN1CC[C@H](NC(=O)N[C@@H]2CCOC2)C1 ZINC000389768532 488111188 /nfs/dbraw/zinc/11/11/88/488111188.db2.gz BIIVOHHTDBYURC-WDEREUQCSA-N 0 3 241.335 0.559 20 0 BCADHN CCOC[C@H](O)CN1CC[C@H](C(F)F)C1 ZINC000677732718 488111898 /nfs/dbraw/zinc/11/18/98/488111898.db2.gz OKDDRMGSGYHJOF-DTWKUNHWSA-N 0 3 223.263 0.971 20 0 BCADHN CCOC[C@@H](O)CN1CC[C@@H](C(F)F)C1 ZINC000677732716 488111932 /nfs/dbraw/zinc/11/19/32/488111932.db2.gz OKDDRMGSGYHJOF-BDAKNGLRSA-N 0 3 223.263 0.971 20 0 BCADHN C[C@@H](CO)CN1CCc2cc[nH]c(=O)c2C1 ZINC000683144765 488119538 /nfs/dbraw/zinc/11/95/38/488119538.db2.gz BVEBICQUFBBZOD-SECBINFHSA-N 0 3 222.288 0.774 20 0 BCADHN C[C@H]1OCC[C@]1(C)NCC(=O)Nc1ccon1 ZINC000683147630 488120109 /nfs/dbraw/zinc/12/01/09/488120109.db2.gz ZQHHPJFQDOWJQD-KCJUWKMLSA-N 0 3 239.275 0.770 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@H](COC)CC1 ZINC000452077105 488126591 /nfs/dbraw/zinc/12/65/91/488126591.db2.gz FOQPJEZHEPMNFV-QWRGUYRKSA-N 0 3 228.336 0.999 20 0 BCADHN CC(C)OC1CC(N[C@H]2CCNC2=O)C1 ZINC000389974450 488127181 /nfs/dbraw/zinc/12/71/81/488127181.db2.gz DQTUGEYXAOTMRY-RTBKNWGFSA-N 0 3 212.293 0.421 20 0 BCADHN CCC(CC)[C@H](O)CNC(=O)[C@H](C)NC ZINC000230625082 488129560 /nfs/dbraw/zinc/12/95/60/488129560.db2.gz CHKHTDALCNZWEE-WCBMZHEXSA-N 0 3 216.325 0.508 20 0 BCADHN CO[C@@H]1CCC[C@H]1N[C@H]1CCCN(C)C1=O ZINC000382294320 487539052 /nfs/dbraw/zinc/53/90/52/487539052.db2.gz LSDZPOHFLRMPGM-OUAUKWLOSA-N 0 3 226.320 0.764 20 0 BCADHN CC(=O)N[C@H]1CCN(C[C@H](O)C(C)C)C1 ZINC000300851656 487541179 /nfs/dbraw/zinc/54/11/79/487541179.db2.gz HHVIWFKORULKPE-QWRGUYRKSA-N 0 3 214.309 0.214 20 0 BCADHN CN1CCC[C@@H](NC(=O)c2ccc(CN)o2)C1 ZINC000094569973 487544093 /nfs/dbraw/zinc/54/40/93/487544093.db2.gz VHYPBISIMULYNO-SECBINFHSA-N 0 3 237.303 0.562 20 0 BCADHN C(CN1CCc2nn[nH]c2C1)[C@@H]1CCOC1 ZINC000668791744 487545593 /nfs/dbraw/zinc/54/55/93/487545593.db2.gz XTVROIKIPODLBE-SECBINFHSA-N 0 3 222.292 0.589 20 0 BCADHN C(CN1CCc2n[nH]nc2C1)[C@@H]1CCOC1 ZINC000668791744 487545599 /nfs/dbraw/zinc/54/55/99/487545599.db2.gz XTVROIKIPODLBE-SECBINFHSA-N 0 3 222.292 0.589 20 0 BCADHN CC(C)[C@@H](N)c1cn(-c2cnn(C)c2)nn1 ZINC000300903778 487547883 /nfs/dbraw/zinc/54/78/83/487547883.db2.gz LEVDIOQPCHUEOK-SNVBAGLBSA-N 0 3 220.280 0.657 20 0 BCADHN C[C@@H](C(=O)N1C[C@@H](C)N[C@H](C)C1)N(C)C ZINC000154132591 487530120 /nfs/dbraw/zinc/53/01/20/487530120.db2.gz UIURYZPBPUXVLX-BBBLOLIVSA-N 0 3 213.325 0.145 20 0 BCADHN Cn1nncc1CN1CCC2(CCOC2)CC1 ZINC000685569965 487551503 /nfs/dbraw/zinc/55/15/03/487551503.db2.gz IGDDIJAFNKNTJY-UHFFFAOYSA-N 0 3 236.319 0.818 20 0 BCADHN C[C@H](O)CN1CCN([C@H]2CCCOC2)C[C@H]1C ZINC000674300942 487552772 /nfs/dbraw/zinc/55/27/72/487552772.db2.gz JKSFEXVCZCMNOT-AGIUHOORSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@H](O)CN1CCN([C@H]2CCCOC2)CC1 ZINC000674301806 487554043 /nfs/dbraw/zinc/55/40/43/487554043.db2.gz GOEIJCRHHHAIGS-RYUDHWBXSA-N 0 3 228.336 0.164 20 0 BCADHN Cn1ccc(-n2cc(C(C)(C)N)nn2)n1 ZINC000086782051 487554559 /nfs/dbraw/zinc/55/45/59/487554559.db2.gz YAQZYCMUGDRQGZ-UHFFFAOYSA-N 0 3 206.253 0.195 20 0 BCADHN CC(C)(CO)N1CCN([C@H]2CCCOC2)CC1 ZINC000674302574 487556075 /nfs/dbraw/zinc/55/60/75/487556075.db2.gz OEXKMTVGLMNWIW-LBPRGKRZSA-N 0 3 242.363 0.554 20 0 BCADHN COC[C@H](NCc1cn[nH]c1)C1CCOCC1 ZINC000657562051 488135259 /nfs/dbraw/zinc/13/52/59/488135259.db2.gz BIHYSNFGBXWEAV-LBPRGKRZSA-N 0 3 239.319 0.941 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2cc[nH]n2)[C@H](C)CN1 ZINC000237441388 487471590 /nfs/dbraw/zinc/47/15/90/487471590.db2.gz XEILSARWVUYPAF-RKDXNWHRSA-N 0 3 222.292 0.161 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2ccn[nH]2)[C@H](C)CN1 ZINC000237441388 487471593 /nfs/dbraw/zinc/47/15/93/487471593.db2.gz XEILSARWVUYPAF-RKDXNWHRSA-N 0 3 222.292 0.161 20 0 BCADHN COCCCCN1CCN(C(C)(C)CO)CC1 ZINC000673895608 487472111 /nfs/dbraw/zinc/47/21/11/487472111.db2.gz JQXCLYDNMJBOSI-UHFFFAOYSA-N 0 3 244.379 0.802 20 0 BCADHN CO[C@@H](C)CN1CCN(C(C)(C)CO)CC1 ZINC000679853864 487473012 /nfs/dbraw/zinc/47/30/12/487473012.db2.gz NYDYLRBHMDLLFW-NSHDSACASA-N 0 3 230.352 0.410 20 0 BCADHN CN(C)C[C@H](O)CN[C@H]1CCCc2cccnc21 ZINC000684955643 487474995 /nfs/dbraw/zinc/47/49/95/487474995.db2.gz PWJTXVGXORRRNL-OLZOCXBDSA-N 0 3 249.358 0.971 20 0 BCADHN CN(C)C[C@@H](O)CN[C@H]1CCCc2cccnc21 ZINC000684955645 487475132 /nfs/dbraw/zinc/47/51/32/487475132.db2.gz PWJTXVGXORRRNL-STQMWFEESA-N 0 3 249.358 0.971 20 0 BCADHN Cc1cc(=O)n(C)cc1NC(=O)C1(N)CCCC1 ZINC000237541883 487482347 /nfs/dbraw/zinc/48/23/47/487482347.db2.gz ZOJCUOJKYMIDMY-UHFFFAOYSA-N 0 3 249.314 0.904 20 0 BCADHN NCc1cccc(NC(=O)CN2CCOCC2)c1 ZINC000022154287 487483260 /nfs/dbraw/zinc/48/32/60/487483260.db2.gz CWBRYYNDWUGPOU-UHFFFAOYSA-N 0 3 249.314 0.416 20 0 BCADHN C[C@@H]1OCCN(C[C@H]2CNCCO2)[C@H]1C ZINC000380498411 487476758 /nfs/dbraw/zinc/47/67/58/487476758.db2.gz DVLHFPKVFFPUFE-GARJFASQSA-N 0 3 214.309 0.084 20 0 BCADHN O=C(C1CC=CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405196099 487476959 /nfs/dbraw/zinc/47/69/59/487476959.db2.gz ALOGHIAWGPDQSV-NWDGAFQWSA-N 0 3 236.315 0.230 20 0 BCADHN Cc1ccc(CN2CCN3C[C@H](O)C[C@H]3C2)o1 ZINC000405260449 487478620 /nfs/dbraw/zinc/47/86/20/487478620.db2.gz OKYOLSSEYMIZCQ-NWDGAFQWSA-N 0 3 236.315 0.839 20 0 BCADHN CCCCCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405264475 487480260 /nfs/dbraw/zinc/48/02/60/487480260.db2.gz KUXJDVZPFKFCOW-NWDGAFQWSA-N 0 3 240.347 0.844 20 0 BCADHN CCCN1CC[C@H](N[C@H](C)CS(C)(=O)=O)C1 ZINC000393955272 487485286 /nfs/dbraw/zinc/48/52/86/487485286.db2.gz VQCKJWGRHCHMLK-MNOVXSKESA-N 0 3 248.392 0.493 20 0 BCADHN Cn1ccc(CN2CC[C@@](C)(O)C2)cc1=O ZINC000674009160 487498487 /nfs/dbraw/zinc/49/84/87/487498487.db2.gz GOXROYVLECNWIX-GFCCVEGCSA-N 0 3 222.288 0.342 20 0 BCADHN OCCN1CCc2ccc(O)cc2CC1 ZINC000674006787 487496366 /nfs/dbraw/zinc/49/63/66/487496366.db2.gz ZWVBUNAJMYJUJG-UHFFFAOYSA-N 0 3 207.273 0.785 20 0 BCADHN O=S(=O)(CCCF)NCCNC1CC1 ZINC000237685045 487499884 /nfs/dbraw/zinc/49/98/84/487499884.db2.gz OPDYUSDUDWDBTA-UHFFFAOYSA-N 0 3 224.301 0.017 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CC12CCOCC2)N(C)C ZINC000674012234 487500072 /nfs/dbraw/zinc/50/00/72/487500072.db2.gz KMBNANNNMNOKFZ-GHMZBOCLSA-N 0 3 240.347 0.869 20 0 BCADHN CO[C@@H]1CCCN([C@H]2CCCNC2=O)CC1 ZINC000679953265 487501779 /nfs/dbraw/zinc/50/17/79/487501779.db2.gz NRSOQEPGRBLXCN-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN Cc1cncc(NC(=O)CN2CCNCC2)c1 ZINC000232077592 487502208 /nfs/dbraw/zinc/50/22/08/487502208.db2.gz WCGNGFOAEBBKHY-UHFFFAOYSA-N 0 3 234.303 0.234 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccc(CO)cc1 ZINC000220439024 487505356 /nfs/dbraw/zinc/50/53/56/487505356.db2.gz MSCXKQDVBKYOSR-VIFPVBQESA-N 0 3 222.288 0.532 20 0 BCADHN CCN(C[C@H]1CCOC1)[C@H](C)C(N)=O ZINC000677885360 488142355 /nfs/dbraw/zinc/14/23/55/488142355.db2.gz AIUHIFJOSINKOL-RKDXNWHRSA-N 0 3 200.282 0.219 20 0 BCADHN CN1C(=O)C[C@@H](N2CC[C@H](C3CCC3)C2)C1=O ZINC000666125478 487510968 /nfs/dbraw/zinc/51/09/68/487510968.db2.gz HTRMFXBZXMXHBN-WDEREUQCSA-N 0 3 236.315 0.866 20 0 BCADHN COCCC[N@H+](CCO)Cc1ncccc1[O-] ZINC000685428858 487521877 /nfs/dbraw/zinc/52/18/77/487521877.db2.gz QEIRSCFIODVFLN-UHFFFAOYSA-N 0 3 240.303 0.618 20 0 BCADHN COCCC[N@@H+](CCO)Cc1ncccc1[O-] ZINC000685428858 487521878 /nfs/dbraw/zinc/52/18/78/487521878.db2.gz QEIRSCFIODVFLN-UHFFFAOYSA-N 0 3 240.303 0.618 20 0 BCADHN CCN(C[C@@H]1CCOC1)[C@H](C)C(=O)N(C)C ZINC000677885293 488147216 /nfs/dbraw/zinc/14/72/16/488147216.db2.gz HISMIGPSZPVYFV-MNOVXSKESA-N 0 3 228.336 0.822 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1CCNC(C)(C)C1 ZINC000669520935 488151511 /nfs/dbraw/zinc/15/15/11/488151511.db2.gz DOKJUQNLMVHZEX-SNVBAGLBSA-N 0 3 227.352 0.570 20 0 BCADHN CCNC(=O)CNC1(CO)CCCCC1 ZINC000053097462 488153059 /nfs/dbraw/zinc/15/30/59/488153059.db2.gz UFHZCNSJOYPGMH-UHFFFAOYSA-N 0 3 214.309 0.407 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)NC[C@@H](C)O ZINC000683419606 488160547 /nfs/dbraw/zinc/16/05/47/488160547.db2.gz YUPSOUDDULFSSC-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN CC[C@@H](CN1CCCC1)NS(=O)(=O)CC ZINC000674346418 487562655 /nfs/dbraw/zinc/56/26/55/487562655.db2.gz PEGHPYZQVWHORV-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN CN1CC=C(CNc2cncc3ncnn32)CC1 ZINC000680626120 487623539 /nfs/dbraw/zinc/62/35/39/487623539.db2.gz RPMSDTPRANJKRJ-UHFFFAOYSA-N 0 3 244.302 0.798 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@H](N)CC(C)C ZINC000087370346 487649683 /nfs/dbraw/zinc/64/96/83/487649683.db2.gz JPYGAJJOZDPYKL-GHMZBOCLSA-N 0 3 230.352 0.885 20 0 BCADHN CNS(=O)(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000671672848 487682285 /nfs/dbraw/zinc/68/22/85/487682285.db2.gz SIOJNUVIBCCPJI-NXEZZACHSA-N 0 3 249.380 0.303 20 0 BCADHN O=C(COC(F)F)N[C@@H]1CCN(CC2CC2)C1 ZINC000671707245 487699033 /nfs/dbraw/zinc/69/90/33/487699033.db2.gz SSXQXZOWYVMQCX-SECBINFHSA-N 0 3 248.273 0.826 20 0 BCADHN CC(C)NCC(=O)NCC(=O)N1CCCCC1 ZINC000228822308 487735407 /nfs/dbraw/zinc/73/54/07/487735407.db2.gz RNBHMXNVYHXRPP-UHFFFAOYSA-N 0 3 241.335 0.113 20 0 BCADHN CN(C)C[C@H]1CCCN1c1nccn(C)c1=O ZINC000675636101 487757324 /nfs/dbraw/zinc/75/73/24/487757324.db2.gz ZEANXQPKQFOHGV-SNVBAGLBSA-N 0 3 236.319 0.311 20 0 BCADHN Cn1c(=O)cccc1C(=O)NCCN1CCCC1 ZINC000677415229 488031848 /nfs/dbraw/zinc/03/18/48/488031848.db2.gz YIKLHUKSZFSERS-UHFFFAOYSA-N 0 3 249.314 0.211 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000667861237 488140126 /nfs/dbraw/zinc/14/01/26/488140126.db2.gz LOYRIBVFURYWDI-IEBDPFPHSA-N 0 3 247.360 0.577 20 0 BCADHN CC(C)[C@H](N)c1cn([C@@H]2CCN(C)C2=O)nn1 ZINC000379622780 488145918 /nfs/dbraw/zinc/14/59/18/488145918.db2.gz WXUNDZFJKUBIHM-ZJUUUORDSA-N 0 3 237.307 0.337 20 0 BCADHN c1ccc2c(c1)NCCN2C[C@@H]1CNCCO1 ZINC000259110595 488150393 /nfs/dbraw/zinc/15/03/93/488150393.db2.gz BFWOFUDKWOLCFR-NSHDSACASA-N 0 3 233.315 0.907 20 0 BCADHN C[C@@H](Cn1cncn1)N[C@@H]1CCCn2nccc21 ZINC000657860188 488153077 /nfs/dbraw/zinc/15/30/77/488153077.db2.gz XMOUYMRVWOUBGK-WDEREUQCSA-N 0 3 246.318 0.988 20 0 BCADHN C[C@@H]1COCC[C@H]1NCC(=O)Nc1ccon1 ZINC000683372627 488153930 /nfs/dbraw/zinc/15/39/30/488153930.db2.gz YDOBDLYSDUFPSX-RKDXNWHRSA-N 0 3 239.275 0.628 20 0 BCADHN CCO[C@H]1C[C@@H](N[C@H](C)C(N)=O)C12CCC2 ZINC000390474845 488158919 /nfs/dbraw/zinc/15/89/19/488158919.db2.gz KGLYYHPYOUHFSE-BBBLOLIVSA-N 0 3 226.320 0.798 20 0 BCADHN COC[C@@](C)(O)CN[C@H]1CCCn2nccc21 ZINC000657878890 488159594 /nfs/dbraw/zinc/15/95/94/488159594.db2.gz OVOYSVWIHXDNDN-JQWIXIFHSA-N 0 3 239.319 0.705 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000167381656 488164302 /nfs/dbraw/zinc/16/43/02/488164302.db2.gz AEPHYRSZXLVCBB-OUAUKWLOSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H]1SCC[C@H]1NC(=O)[C@H](N)CC(F)F ZINC000379997741 488166229 /nfs/dbraw/zinc/16/62/29/488166229.db2.gz KNIXBQQPZRMLDL-RRKCRQDMSA-N 0 3 238.303 0.979 20 0 BCADHN COCCNCC(=O)N[C@H]1CCS[C@@H]1C ZINC000380028768 488168168 /nfs/dbraw/zinc/16/81/68/488168168.db2.gz ZUKWDPDENMUABV-BDAKNGLRSA-N 0 3 232.349 0.233 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1CC(=O)NC1CC1 ZINC000159381558 488170261 /nfs/dbraw/zinc/17/02/61/488170261.db2.gz CDRIRLYNUOHGID-GXSJLCMTSA-N 0 3 226.320 0.500 20 0 BCADHN NC1(C(=O)N2CCCC(F)(F)C2)CC1 ZINC000259405196 488170697 /nfs/dbraw/zinc/17/06/97/488170697.db2.gz IAMXZLQLXOHTRT-UHFFFAOYSA-N 0 3 204.220 0.735 20 0 BCADHN NC1(C(=O)N2CCCc3n[nH]cc3C2)CCCC1 ZINC000404607788 488172261 /nfs/dbraw/zinc/17/22/61/488172261.db2.gz DMNYVJQNLXMHQB-UHFFFAOYSA-N 0 3 248.330 0.956 20 0 BCADHN O=C([C@@H]1CCCCN1)N1CCCc2n[nH]cc2C1 ZINC000404627663 488172587 /nfs/dbraw/zinc/17/25/87/488172587.db2.gz SQKSADNBNJVGFT-LBPRGKRZSA-N 0 3 248.330 0.827 20 0 BCADHN C[C@H](CNC(=O)C(C)(C)C(N)=O)N1CCCC1 ZINC000683479812 488172722 /nfs/dbraw/zinc/17/27/22/488172722.db2.gz LLPUTEYXDLKVQO-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN CCC(=O)N[C@@H]1CCCN(C[C@H](C)CO)C1 ZINC000678045738 488182606 /nfs/dbraw/zinc/18/26/06/488182606.db2.gz PFCREGIKWTUNTJ-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N1CCCC(F)(F)C1 ZINC000259646528 488183990 /nfs/dbraw/zinc/18/39/90/488183990.db2.gz XGPFCGIRZHXKEG-SECBINFHSA-N 0 3 248.273 0.623 20 0 BCADHN C[C@@H](CO)CN1CCN(C[C@H](C)CO)C[C@H]1C ZINC000678047095 488184700 /nfs/dbraw/zinc/18/47/00/488184700.db2.gz YYSVNRDEOBXIAG-YNEHKIRRSA-N 0 3 244.379 0.249 20 0 BCADHN Cn1ccc(CN2CCC[C@](C)(O)C2)cc1=O ZINC000678047266 488184775 /nfs/dbraw/zinc/18/47/75/488184775.db2.gz MLBKNGSRDWLZEI-ZDUSSCGKSA-N 0 3 236.315 0.732 20 0 BCADHN C[C@@H](CO)CN1CCN(C[C@H](C)CO)C[C@@H]1C ZINC000678047094 488185163 /nfs/dbraw/zinc/18/51/63/488185163.db2.gz YYSVNRDEOBXIAG-XQQFMLRXSA-N 0 3 244.379 0.249 20 0 BCADHN Cc1nccnc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000668012727 488185509 /nfs/dbraw/zinc/18/55/09/488185509.db2.gz JAVNYKTXSKPKCD-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN NC[C@@H](NC(=O)[C@@H]1CCCCO1)C(F)(F)F ZINC000401742636 488187531 /nfs/dbraw/zinc/18/75/31/488187531.db2.gz HXRIXFWXLWNJSC-NKWVEPMBSA-N 0 3 240.225 0.561 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CCN(C)C2)c(C)nn1 ZINC000678071275 488190729 /nfs/dbraw/zinc/19/07/29/488190729.db2.gz FPGFAICHWSTSSZ-NSHDSACASA-N 0 3 248.330 0.775 20 0 BCADHN CCC[C@@H](C)NC(=O)C[C@H]1CNCCO1 ZINC000085618848 488190859 /nfs/dbraw/zinc/19/08/59/488190859.db2.gz ICMNHXNTUVMNDB-ZJUUUORDSA-N 0 3 214.309 0.670 20 0 BCADHN C[C@H](C1CC1)N(C)C(=O)C[C@H]1CNCCO1 ZINC000085619365 488190917 /nfs/dbraw/zinc/19/09/17/488190917.db2.gz YMTKJOZDGFNUQP-KOLCDFICSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1ncc(CN(C)CC2CC(O)C2)n1C ZINC000668035311 488192403 /nfs/dbraw/zinc/19/24/03/488192403.db2.gz ISDJOWCVZJUUAJ-UHFFFAOYSA-N 0 3 223.320 0.931 20 0 BCADHN Cc1ncc(CN2CC[C@@H](C)[C@@H]2CO)n1C ZINC000668035357 488192415 /nfs/dbraw/zinc/19/24/15/488192415.db2.gz JUHXCXBKRYRSNW-SKDRFNHKSA-N 0 3 223.320 0.931 20 0 BCADHN CN(C)CCN(C)C(=O)c1nccs1 ZINC000683555568 488194044 /nfs/dbraw/zinc/19/40/44/488194044.db2.gz JODAYKXODUTWSI-UHFFFAOYSA-N 0 3 213.306 0.777 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CNCCO2)CC[C@@H]1C ZINC000299918892 488194635 /nfs/dbraw/zinc/19/46/35/488194635.db2.gz VSYDJBUWLJPTHA-QJPTWQEYSA-N 0 3 228.336 0.332 20 0 BCADHN OC[C@]1(NCc2n[nH]c3ccccc32)CCOC1 ZINC000680486162 488195545 /nfs/dbraw/zinc/19/55/45/488195545.db2.gz YMJZCZPTNMZANS-CYBMUJFWSA-N 0 3 247.298 0.804 20 0 BCADHN OC[C@]1(NCc2[nH]nc3ccccc32)CCOC1 ZINC000680486162 488195549 /nfs/dbraw/zinc/19/55/49/488195549.db2.gz YMJZCZPTNMZANS-CYBMUJFWSA-N 0 3 247.298 0.804 20 0 BCADHN C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)C(=O)N(C)C ZINC000668055502 488195813 /nfs/dbraw/zinc/19/58/13/488195813.db2.gz DAZUZTIIKRSJND-INTQDDNPSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@@H](NC1CC(CF)(CF)C1)C(N)=O ZINC000668073267 488197925 /nfs/dbraw/zinc/19/79/25/488197925.db2.gz WHCDRTVSBMNJHO-ZCFIWIBFSA-N 0 3 206.236 0.538 20 0 BCADHN Cc1ncc(CN2CC[C@]3(CNC(=O)C3)C2)n1C ZINC000668084700 488199854 /nfs/dbraw/zinc/19/98/54/488199854.db2.gz SUBIBDNGFFOTOC-ZDUSSCGKSA-N 0 3 248.330 0.441 20 0 BCADHN COC[C@H](CO)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000668095687 488201844 /nfs/dbraw/zinc/20/18/44/488201844.db2.gz OILCWXWBYAZNOC-DCAQKATOSA-N 0 3 215.293 0.151 20 0 BCADHN C[C@H](CNC(=O)C1(N(C)C)CC1)N(C)C1CC1 ZINC000668096112 488202177 /nfs/dbraw/zinc/20/21/77/488202177.db2.gz YZAIRLFYTWZLCN-SNVBAGLBSA-N 0 3 239.363 0.680 20 0 BCADHN CCn1cnnc1CCN[C@@H](C)c1ccnn1C ZINC000683692365 488206225 /nfs/dbraw/zinc/20/62/25/488206225.db2.gz PNUUAOQEPYACBP-JTQLQIEISA-N 0 3 248.334 0.925 20 0 BCADHN CN1CCC2(CCN(S(C)(=O)=O)C2)CC1 ZINC000224577651 488207105 /nfs/dbraw/zinc/20/71/05/488207105.db2.gz JTNFGQAIFJHPPQ-UHFFFAOYSA-N 0 3 232.349 0.364 20 0 BCADHN C=Cn1cc(CN[C@H]2CCC[C@H]2C(=O)NC)cn1 ZINC000683704637 488210828 /nfs/dbraw/zinc/21/08/28/488210828.db2.gz CPRDASPPFHUSLH-NEPJUHHUSA-N 0 3 248.330 0.988 20 0 BCADHN C=Cn1cc(CNCCc2nncn2CC)cn1 ZINC000683704137 488210835 /nfs/dbraw/zinc/21/08/35/488210835.db2.gz UDWHGLWJNMPXIU-UHFFFAOYSA-N 0 3 246.318 0.927 20 0 BCADHN CN1CCC2(CCN(Cc3cn[nH]c3)CC2)C1=O ZINC000683725876 488210851 /nfs/dbraw/zinc/21/08/51/488210851.db2.gz JMZXGPUJKNACCX-UHFFFAOYSA-N 0 3 248.330 0.854 20 0 BCADHN C[C@@H](C(=O)N1C[C@H](C)N(C)C[C@H]1C)N(C)C ZINC000678216819 488219565 /nfs/dbraw/zinc/21/95/65/488219565.db2.gz ICHKKQPBEYPIFO-AXFHLTTASA-N 0 3 227.352 0.488 20 0 BCADHN CCN1CCN(Cc2cc[nH]n2)C[C@@H]1C ZINC000678260894 488228185 /nfs/dbraw/zinc/22/81/85/488228185.db2.gz FSCWIGWRKRAMCJ-JTQLQIEISA-N 0 3 208.309 0.936 20 0 BCADHN Cc1cc(CNC(=O)[C@@H]2CCCN2C2CC2)n[nH]1 ZINC000683850281 488232264 /nfs/dbraw/zinc/23/22/64/488232264.db2.gz DGVJDCDGCHNBTR-LBPRGKRZSA-N 0 3 248.330 0.961 20 0 BCADHN O=C(NCc1cn[nH]n1)[C@@H]1CCCN1C1CC1 ZINC000683856786 488232515 /nfs/dbraw/zinc/23/25/15/488232515.db2.gz KMYSJPQREJZXCW-JTQLQIEISA-N 0 3 235.291 0.048 20 0 BCADHN O=C(NCc1c[nH]nn1)[C@@H]1CCCN1C1CC1 ZINC000683856786 488232517 /nfs/dbraw/zinc/23/25/17/488232517.db2.gz KMYSJPQREJZXCW-JTQLQIEISA-N 0 3 235.291 0.048 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1C[C@H](OC)C1(C)C ZINC000225288254 490047267 /nfs/dbraw/zinc/04/72/67/490047267.db2.gz GPQLFHJOQYPXGW-HLTSFMKQSA-N 0 3 214.309 0.653 20 0 BCADHN CNC(=O)[C@H]1CCCN1CCCC(=O)N(C)C ZINC000683897429 488239502 /nfs/dbraw/zinc/23/95/02/488239502.db2.gz BYKOAFHZDQXYFG-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CC(C)CC(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000683913023 488243902 /nfs/dbraw/zinc/24/39/02/488243902.db2.gz PIZXMYHSPVWSOX-CYBMUJFWSA-N 0 3 242.363 0.948 20 0 BCADHN O=C1C[C@@H]([C@H]2CCCCN2Cc2cn[nH]c2)CN1 ZINC000678344040 488244088 /nfs/dbraw/zinc/24/40/88/488244088.db2.gz UQFLTCGBZMBLRH-VXGBXAGGSA-N 0 3 248.330 0.900 20 0 BCADHN COc1ccc(CNC[C@H]2CCCC(=O)N2)cn1 ZINC000683931587 488247284 /nfs/dbraw/zinc/24/72/84/488247284.db2.gz FDMHRZZICGMKBP-LLVKDONJSA-N 0 3 249.314 0.849 20 0 BCADHN C[C@H](CO)CN(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000684003008 488254850 /nfs/dbraw/zinc/25/48/50/488254850.db2.gz DVGQYZQKOFNDPK-RWMBFGLXSA-N 0 3 244.379 0.656 20 0 BCADHN C[C@@H]1[C@@H](C)N(CCn2ccccc2=O)CCN1C ZINC000678469852 488258270 /nfs/dbraw/zinc/25/82/70/488258270.db2.gz PAGJQEGSSLWVLG-CHWSQXEVSA-N 0 3 249.358 0.873 20 0 BCADHN C[C@H](CO)CN(CCCO)Cc1ccccn1 ZINC000672555982 488259851 /nfs/dbraw/zinc/25/98/51/488259851.db2.gz XDNBEPKJMDJIMO-LBPRGKRZSA-N 0 3 238.331 0.894 20 0 BCADHN COc1cccc(CNCCc2nnnn2C)c1 ZINC000678498825 488262592 /nfs/dbraw/zinc/26/25/92/488262592.db2.gz FYZBIUZSDLSPBA-UHFFFAOYSA-N 0 3 247.302 0.551 20 0 BCADHN Cc1cc(=O)[n-]c([C@H](C)N2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000684089344 488265330 /nfs/dbraw/zinc/26/53/30/488265330.db2.gz UHROVXPYLOXRRV-HBNTYKKESA-N 0 3 248.330 0.703 20 0 BCADHN CCN1CCN(Cc2c[nH]cn2)C[C@@H]1C ZINC000684619783 488334321 /nfs/dbraw/zinc/33/43/21/488334321.db2.gz OQXQJDMAOCVSAP-JTQLQIEISA-N 0 3 208.309 0.936 20 0 BCADHN CCN1CCN(Cc2cnc[nH]2)C[C@@H]1C ZINC000684619783 488334322 /nfs/dbraw/zinc/33/43/22/488334322.db2.gz OQXQJDMAOCVSAP-JTQLQIEISA-N 0 3 208.309 0.936 20 0 BCADHN C[C@H](CO)CN1C[C@H](C)OC2(CCOCC2)C1 ZINC000684100038 488266472 /nfs/dbraw/zinc/26/64/72/488266472.db2.gz AKHDLAATLDVHNQ-RYUDHWBXSA-N 0 3 243.347 0.885 20 0 BCADHN CN1CCC[C@@H](N2CCC[C@@H](CCO)C2)C1=O ZINC000679316789 488334570 /nfs/dbraw/zinc/33/45/70/488334570.db2.gz MTAHOKARXZZKIE-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN OCCCCCN1CCN([C@H]2CCOC2)CC1 ZINC000678625465 488273837 /nfs/dbraw/zinc/27/38/37/488273837.db2.gz BQPJPTJFSRPSAY-ZDUSSCGKSA-N 0 3 242.363 0.556 20 0 BCADHN OCCCCCN1CCN([C@@H]2CCOC2)CC1 ZINC000678625461 488274047 /nfs/dbraw/zinc/27/40/47/488274047.db2.gz BQPJPTJFSRPSAY-CYBMUJFWSA-N 0 3 242.363 0.556 20 0 BCADHN C[C@@H](CO)CN1CCN(Cc2cccnc2)CC1 ZINC000678630679 488274486 /nfs/dbraw/zinc/27/44/86/488274486.db2.gz VZWSOATXIZQUFF-CYBMUJFWSA-N 0 3 249.358 0.828 20 0 BCADHN CN1CCC[C@@H](N2CC[C@]3(CCOC3)C2)C1=O ZINC000679318131 488334830 /nfs/dbraw/zinc/33/48/30/488334830.db2.gz BQIYNYUNRIKSSZ-YPMHNXCESA-N 0 3 238.331 0.720 20 0 BCADHN CN(C)CCN(C(=O)c1cocn1)C1CC1 ZINC000673083635 488276047 /nfs/dbraw/zinc/27/60/47/488276047.db2.gz ZNRPDYKQHAPSQK-UHFFFAOYSA-N 0 3 223.276 0.841 20 0 BCADHN C[C@@H]1C[C@@H](C)N1CCN1C(=O)CCC1=O ZINC000684207889 488276736 /nfs/dbraw/zinc/27/67/36/488276736.db2.gz BYUZMFPGSWMVAX-RKDXNWHRSA-N 0 3 210.277 0.618 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H](C)C(C)(C)O ZINC000673186646 488278633 /nfs/dbraw/zinc/27/86/33/488278633.db2.gz WRSBRISQYHEFAR-IUCAKERBSA-N 0 3 231.340 0.395 20 0 BCADHN C[C@]1(C(N)=O)CCN(CCn2ccccc2=O)C1 ZINC000684628271 488335761 /nfs/dbraw/zinc/33/57/61/488335761.db2.gz IZCZMNWUTSVITI-ZDUSSCGKSA-N 0 3 249.314 0.046 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673515059 488291940 /nfs/dbraw/zinc/29/19/40/488291940.db2.gz BEDQPCDDYVCGMS-KXNHARMFSA-N 0 3 238.331 0.310 20 0 BCADHN CC(C)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673516340 488292225 /nfs/dbraw/zinc/29/22/25/488292225.db2.gz OEKIIHKJSIMTOV-GHMZBOCLSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673515062 488292243 /nfs/dbraw/zinc/29/22/43/488292243.db2.gz BEDQPCDDYVCGMS-RHYQMDGZSA-N 0 3 238.331 0.310 20 0 BCADHN Cc1occc1C(=O)N[C@@H](CO)CN(C)C ZINC000673524516 488294132 /nfs/dbraw/zinc/29/41/32/488294132.db2.gz XBOCDIQQECBNCL-SECBINFHSA-N 0 3 226.276 0.240 20 0 BCADHN Cc1ccc(C(=O)N[C@H](CO)CN(C)C)cn1 ZINC000673524110 488294199 /nfs/dbraw/zinc/29/41/99/488294199.db2.gz PPYZTFYJLYUBBL-NSHDSACASA-N 0 3 237.303 0.042 20 0 BCADHN O=C(N[C@H](CO)CN1CCCC1)c1cccnc1 ZINC000673531721 488294339 /nfs/dbraw/zinc/29/43/39/488294339.db2.gz PCYDIXQRGUMKEK-LBPRGKRZSA-N 0 3 249.314 0.268 20 0 BCADHN CC(C)CC(=O)N[C@H](CO)CN1CCCC1 ZINC000673532429 488295084 /nfs/dbraw/zinc/29/50/84/488295084.db2.gz TWPWMONEAOXVEN-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)C(C)(C)O ZINC000673688808 488304441 /nfs/dbraw/zinc/30/44/41/488304441.db2.gz BKVVWTQQOQENPD-VIFPVBQESA-N 0 3 216.325 0.604 20 0 BCADHN CC(C)n1nccc1CNCCc1nnnn1C ZINC000684392083 488304714 /nfs/dbraw/zinc/30/47/14/488304714.db2.gz VNMUAQAXZDSZEN-UHFFFAOYSA-N 0 3 249.322 0.320 20 0 BCADHN COC[C@@](C)(CO)NCc1cnc2ccccn12 ZINC000679118301 488310215 /nfs/dbraw/zinc/31/02/15/488310215.db2.gz XDYNYSKBZZSNOF-CYBMUJFWSA-N 0 3 249.314 0.821 20 0 BCADHN CN1CCC[C@@H](NC(=O)CCc2c[nH]cn2)C1 ZINC000684432863 488312662 /nfs/dbraw/zinc/31/26/62/488312662.db2.gz OFJZJVKCZPARGJ-LLVKDONJSA-N 0 3 236.319 0.553 20 0 BCADHN CN1CCC[C@@H](NC(=O)CCc2cnc[nH]2)C1 ZINC000684432863 488312663 /nfs/dbraw/zinc/31/26/63/488312663.db2.gz OFJZJVKCZPARGJ-LLVKDONJSA-N 0 3 236.319 0.553 20 0 BCADHN CNC(=O)CCN1CC[C@H](C)[C@@H](F)C1 ZINC000679220811 488315177 /nfs/dbraw/zinc/31/51/77/488315177.db2.gz FEEJIVZTEDODQF-IUCAKERBSA-N 0 3 202.273 0.802 20 0 BCADHN Cc1ccc(F)cc1CNCCc1nnnn1C ZINC000679207263 488317167 /nfs/dbraw/zinc/31/71/67/488317167.db2.gz YILYOKJKLDUPGZ-UHFFFAOYSA-N 0 3 249.293 0.990 20 0 BCADHN CN1CC[C@](O)(CNC(=O)CCC(F)F)C1 ZINC000684477927 488319992 /nfs/dbraw/zinc/31/99/92/488319992.db2.gz WYOQPQRJPKERFC-JTQLQIEISA-N 0 3 236.262 0.215 20 0 BCADHN C[C@@](O)(CO)CNCc1n[nH]c2ccccc12 ZINC000684538918 488326751 /nfs/dbraw/zinc/32/67/51/488326751.db2.gz OPRKVLPGGAVLKW-LBPRGKRZSA-N 0 3 235.287 0.396 20 0 BCADHN C[C@@](O)(CO)CNCc1[nH]nc2ccccc21 ZINC000684538918 488326752 /nfs/dbraw/zinc/32/67/52/488326752.db2.gz OPRKVLPGGAVLKW-LBPRGKRZSA-N 0 3 235.287 0.396 20 0 BCADHN Cc1ccc2ncc(CNC[C@@](C)(O)CO)n2c1 ZINC000684537889 488326764 /nfs/dbraw/zinc/32/67/64/488326764.db2.gz GBNQGROFUHBBRE-CYBMUJFWSA-N 0 3 249.314 0.476 20 0 BCADHN Cn1cnc2cc(CNC[C@](C)(O)CO)ccc21 ZINC000684536799 488326867 /nfs/dbraw/zinc/32/68/67/488326867.db2.gz UPXIRXSAADFKSP-ZDUSSCGKSA-N 0 3 249.314 0.406 20 0 BCADHN CCOC[C@@H](O)CN1CC([C@@H]2CCOC2)C1 ZINC000684607940 488331644 /nfs/dbraw/zinc/33/16/44/488331644.db2.gz PUXRJBSHHAVKQV-PWSUYJOCSA-N 0 3 229.320 0.352 20 0 BCADHN CN1CCC[C@@H](NC(=O)NCCF)C1 ZINC000684792314 488343118 /nfs/dbraw/zinc/34/31/18/488343118.db2.gz MMKISHWVOJZRJY-MRVPVSSYSA-N 0 3 203.261 0.349 20 0 BCADHN CCNC(=O)CN(C)C[C@H]1CCO[C@H](C)C1 ZINC000679328721 488339919 /nfs/dbraw/zinc/33/99/19/488339919.db2.gz JSIMQKARDGVCIE-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CCc1cc(C(=O)N2CCC3(CN(C)C3)C2)n[nH]1 ZINC000684815833 488345245 /nfs/dbraw/zinc/34/52/45/488345245.db2.gz IUIKAIYRQPFSLR-UHFFFAOYSA-N 0 3 248.330 0.750 20 0 BCADHN C[C@H](CCCCO)N[C@H](CO)c1cnn(C)c1 ZINC000679358312 488345234 /nfs/dbraw/zinc/34/52/34/488345234.db2.gz AGFDNTHEHFNLFD-ZYHUDNBSSA-N 0 3 241.335 0.594 20 0 BCADHN CC[C@@H]1CN(C)CCCN1C(=O)CNC(C)=O ZINC000684826461 488347104 /nfs/dbraw/zinc/34/71/04/488347104.db2.gz XPNJNABFGVTURO-LLVKDONJSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@@H]1OCC[C@H]1NCC(C)(C)S(C)(=O)=O ZINC000121535895 490097849 /nfs/dbraw/zinc/09/78/49/490097849.db2.gz CSNAUBPHVQABKS-DTWKUNHWSA-N 0 3 235.349 0.577 20 0 BCADHN CCOCC(=O)NCCN1CCC(OC)CC1 ZINC000079670487 490058508 /nfs/dbraw/zinc/05/85/08/490058508.db2.gz RLXODNDHYOSWAP-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN C[C@H]1OCC[C@H]1NCC(C)(C)S(C)(=O)=O ZINC000121535726 490097801 /nfs/dbraw/zinc/09/78/01/490097801.db2.gz CSNAUBPHVQABKS-RKDXNWHRSA-N 0 3 235.349 0.577 20 0 BCADHN CCc1nn(C)cc1CN[C@H]1C[C@@](C)(O)C1 ZINC000669573966 490099122 /nfs/dbraw/zinc/09/91/22/490099122.db2.gz AVKQMXIZQYYFPM-KLPPZKSPSA-N 0 3 223.320 0.986 20 0 BCADHN COC[C@@H]1CN([C@@H]2CCO[C@H](C)C2)CCO1 ZINC000659951656 490115025 /nfs/dbraw/zinc/11/50/25/490115025.db2.gz HGCWSBZYIZMQRI-UTUOFQBUSA-N 0 3 229.320 0.901 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccc(F)cn3)[C@@H]2C1 ZINC000644816085 490135220 /nfs/dbraw/zinc/13/52/20/490135220.db2.gz UIQKBIAQHPNVKI-BXKDBHETSA-N 0 3 249.289 0.997 20 0 BCADHN C[C@H](c1ccccn1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000653828452 490146696 /nfs/dbraw/zinc/14/66/96/490146696.db2.gz PQYFQKXYGSPPDD-FRRDWIJNSA-N 0 3 247.342 0.893 20 0 BCADHN CCN1CC[C@@H](NC(=O)Cc2cscn2)C1 ZINC000616307609 490154572 /nfs/dbraw/zinc/15/45/72/490154572.db2.gz UDISHKQTROAFPM-SECBINFHSA-N 0 3 239.344 0.896 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2cnc(C3CC3)nc2)C1 ZINC000651938360 490164199 /nfs/dbraw/zinc/16/41/99/490164199.db2.gz XBIUJSXHGHQIJK-PHIMTYICSA-N 0 3 246.314 0.708 20 0 BCADHN COCc1nc(C(=O)NCCN(C)C)co1 ZINC000548161668 490186160 /nfs/dbraw/zinc/18/61/60/490186160.db2.gz JINRAINQJXFCOU-UHFFFAOYSA-N 0 3 227.264 0.112 20 0 BCADHN C[C@H](Cn1cccn1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000123445326 490236850 /nfs/dbraw/zinc/23/68/50/490236850.db2.gz FJFQVGUMNWTTOY-GHMZBOCLSA-N 0 3 248.330 0.625 20 0 BCADHN CC(C)COC[C@H](O)CNC[C@@H](O)C(F)F ZINC000232931068 490247924 /nfs/dbraw/zinc/24/79/24/490247924.db2.gz CATLXFZRJFPTSC-RKDXNWHRSA-N 0 3 241.278 0.236 20 0 BCADHN [NH3+][C@H]1C[C@@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000306423015 490250406 /nfs/dbraw/zinc/25/04/06/490250406.db2.gz HXNKGWUHJDIKTP-KNVOCYPGSA-N 0 3 216.262 0.048 20 0 BCADHN C[C@@H](N)C(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000082255898 490275923 /nfs/dbraw/zinc/27/59/23/490275923.db2.gz AOKWCQGZVQKFAL-RITPCOANSA-N 0 3 242.304 0.675 20 0 BCADHN CN1C[C@H](NC[C@@H](O)C(F)(F)F)CCC1=O ZINC000082756912 490301185 /nfs/dbraw/zinc/30/11/85/490301185.db2.gz ZOQOWLKATBZJHS-RNFRBKRXSA-N 0 3 240.225 0.120 20 0 BCADHN Cc1nnc([N-]C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)n1C ZINC000653160045 490337810 /nfs/dbraw/zinc/33/78/10/490337810.db2.gz WKZPWZOJZZRSHB-NXEZZACHSA-N 0 3 249.318 0.593 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCc1c[nH]cn1 ZINC000084081149 490365711 /nfs/dbraw/zinc/36/57/11/490365711.db2.gz JDOCDOBKZMXGHZ-MRVPVSSYSA-N 0 3 210.281 0.399 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCc1cnc[nH]1 ZINC000084081149 490365717 /nfs/dbraw/zinc/36/57/17/490365717.db2.gz JDOCDOBKZMXGHZ-MRVPVSSYSA-N 0 3 210.281 0.399 20 0 BCADHN CC[C@H](N)c1cn(Cc2noc(C3CC3)n2)nn1 ZINC000229950134 490370060 /nfs/dbraw/zinc/37/00/60/490370060.db2.gz TUPCYTJQJIKGCA-QMMMGPOBSA-N 0 3 248.290 0.997 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2noc(C)n2)nn1 ZINC000229956382 490371503 /nfs/dbraw/zinc/37/15/03/490371503.db2.gz GWOQISOXYYOLSV-MRVPVSSYSA-N 0 3 236.279 0.818 20 0 BCADHN CNS(=O)(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655668175 490398323 /nfs/dbraw/zinc/39/83/23/490398323.db2.gz MVJDPMZXPQAVLF-NXEZZACHSA-N 0 3 247.364 0.057 20 0 BCADHN CO[C@@H]1COC[C@H]1NC1CC(n2cccn2)C1 ZINC000639285226 490398350 /nfs/dbraw/zinc/39/83/50/490398350.db2.gz KEGQSQAMYJCQLQ-KIDURHIOSA-N 0 3 237.303 0.590 20 0 BCADHN CCn1cc(NC(=O)[C@H](N)C2CCC2)ccc1=O ZINC000399244937 490407250 /nfs/dbraw/zinc/40/72/50/490407250.db2.gz VPNXPVCJXXUTJN-GFCCVEGCSA-N 0 3 249.314 0.934 20 0 BCADHN COCCN1CCN(c2ccncc2)CC1 ZINC000125257238 490422881 /nfs/dbraw/zinc/42/28/81/490422881.db2.gz VXHSJPKAIKIEQZ-UHFFFAOYSA-N 0 3 221.304 0.850 20 0 BCADHN CN(CCCCS(C)(=O)=O)C[C@H](O)C1CC1 ZINC000305093674 490433595 /nfs/dbraw/zinc/43/35/95/490433595.db2.gz QWNCPQLPDSHRPA-NSHDSACASA-N 0 3 249.376 0.514 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000131003953 490466903 /nfs/dbraw/zinc/46/69/03/490466903.db2.gz BQIOOVCFHSLEII-MIMYLULJSA-N 0 3 241.335 0.097 20 0 BCADHN CN(C)CCNC(=O)CCn1cccc1 ZINC000074694184 490496873 /nfs/dbraw/zinc/49/68/73/490496873.db2.gz TXCGJIMAHYRWJS-UHFFFAOYSA-N 0 3 209.293 0.556 20 0 BCADHN CN(C)c1ccc(CN2CC[C@@H](CO)C2)cn1 ZINC000127239544 490542196 /nfs/dbraw/zinc/54/21/96/490542196.db2.gz OKZKJWYXAWFNAJ-GFCCVEGCSA-N 0 3 235.331 0.962 20 0 BCADHN CC(C)NC(=O)CN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000128568441 490581686 /nfs/dbraw/zinc/58/16/86/490581686.db2.gz PBMZTTXBIUARSI-MNOVXSKESA-N 0 3 239.363 0.726 20 0 BCADHN CN(C)CCN(C)c1cc(-n2ccnc2)ncn1 ZINC000080685368 490649354 /nfs/dbraw/zinc/64/93/54/490649354.db2.gz WKEVFUHNSQXVNS-UHFFFAOYSA-N 0 3 246.318 0.660 20 0 BCADHN CC(C)OC(=O)C[C@H](NC(=O)CN)C(C)C ZINC000594453100 491076836 /nfs/dbraw/zinc/07/68/36/491076836.db2.gz GPHZCYNXPDHVAH-VIFPVBQESA-N 0 3 230.308 0.428 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085631648 491050493 /nfs/dbraw/zinc/05/04/93/491050493.db2.gz NUXIROQLVMMODS-YTWAJWBKSA-N 0 3 240.347 0.914 20 0 BCADHN CCNC(=O)CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000085672309 491051997 /nfs/dbraw/zinc/05/19/97/491051997.db2.gz OSFBSDFCBZRCIH-JLLWLGSASA-N 0 3 240.347 0.916 20 0 BCADHN COC(C)(C)CC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644815351 491072390 /nfs/dbraw/zinc/07/23/90/491072390.db2.gz PAKXCIHGFQATIN-WDEREUQCSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cnccn1 ZINC000650133471 491087913 /nfs/dbraw/zinc/08/79/13/491087913.db2.gz LVHSBXRPIDCBTM-XHNCKOQMSA-N 0 3 220.276 0.391 20 0 BCADHN CC[C@@H](C)N1CCN(CCN(C)C)C(=O)C1 ZINC000649685694 491090519 /nfs/dbraw/zinc/09/05/19/491090519.db2.gz IYWBNNSVPRUICU-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN CC[C@@H](C)CN1CCN(CC(=O)N(C)C)CC1 ZINC000088484824 491102878 /nfs/dbraw/zinc/10/28/78/491102878.db2.gz HYNFIGMYGUJWAO-GFCCVEGCSA-N 0 3 241.379 0.738 20 0 BCADHN Cc1nccc(NCCN2CC[C@@H](O)C2)n1 ZINC000624680800 491108606 /nfs/dbraw/zinc/10/86/06/491108606.db2.gz ZSKRSBVLAYFWOU-SNVBAGLBSA-N 0 3 222.292 0.264 20 0 BCADHN COCCOCCN1CCC[C@H](CCO)C1 ZINC000070029821 491121217 /nfs/dbraw/zinc/12/12/17/491121217.db2.gz LXTXKAFSVIYKJA-GFCCVEGCSA-N 0 3 231.336 0.744 20 0 BCADHN CC(C)NCC(=O)N[C@H](CCO)C(C)C ZINC000231081362 491123482 /nfs/dbraw/zinc/12/34/82/491123482.db2.gz OVIJBNOFFYWEBC-SNVBAGLBSA-N 0 3 216.325 0.508 20 0 BCADHN CCOc1ccccc1CNC[C@@](C)(O)CO ZINC000090286596 491124315 /nfs/dbraw/zinc/12/43/15/491124315.db2.gz GJSNVWBWGMGOKB-CYBMUJFWSA-N 0 3 239.315 0.918 20 0 BCADHN COC[C@@H](C)N1CCc2nn(C)c(=O)cc2C1 ZINC000076074552 491125065 /nfs/dbraw/zinc/12/50/65/491125065.db2.gz GEZILLQDCMQKRY-SECBINFHSA-N 0 3 237.303 0.173 20 0 BCADHN COCc1cc(CN(C)CC2CN(C)C2)no1 ZINC000668539540 491127518 /nfs/dbraw/zinc/12/75/18/491127518.db2.gz ZNKWVRYUDRKRFT-UHFFFAOYSA-N 0 3 239.319 0.814 20 0 BCADHN CCN(CC(=O)N(C)C)C(=O)C1(N)CCCC1 ZINC000037616188 491128870 /nfs/dbraw/zinc/12/88/70/491128870.db2.gz KGWBAXVUZVKXKE-UHFFFAOYSA-N 0 3 241.335 0.195 20 0 BCADHN CN1CCO[C@H](CNCc2ccc(O)cc2)C1 ZINC000091667724 491131520 /nfs/dbraw/zinc/13/15/20/491131520.db2.gz PNJZDSRKSPJFAM-CYBMUJFWSA-N 0 3 236.315 0.812 20 0 BCADHN Cc1ncc(CNCC(C)(C)CO)cn1 ZINC000309243113 491146625 /nfs/dbraw/zinc/14/66/25/491146625.db2.gz YOJFZFRFWUQCJK-UHFFFAOYSA-N 0 3 209.293 0.893 20 0 BCADHN C[C@@H](CO[C@@H]1CCOC1)NCc1cn[nH]c1 ZINC000309351865 491147424 /nfs/dbraw/zinc/14/74/24/491147424.db2.gz MYWADYFOGHUZKV-GXSJLCMTSA-N 0 3 225.292 0.693 20 0 BCADHN C[C@H](NCC(C)(C)S(C)(=O)=O)[C@@H]1CCCO1 ZINC000309426591 491149127 /nfs/dbraw/zinc/14/91/27/491149127.db2.gz LVQTYSZXQPXHRI-UWVGGRQHSA-N 0 3 249.376 0.967 20 0 BCADHN COc1cccc(CNCC[C@H](C)O)n1 ZINC000082995548 491158267 /nfs/dbraw/zinc/15/82/67/491158267.db2.gz SEWDUQXCLWUKJE-VIFPVBQESA-N 0 3 210.277 0.951 20 0 BCADHN CCN1CCO[C@@H](CN[C@H](C)c2cn[nH]c2)C1 ZINC000310195938 491160727 /nfs/dbraw/zinc/16/07/27/491160727.db2.gz YWZNLEYIUHVTCV-PWSUYJOCSA-N 0 3 238.335 0.781 20 0 BCADHN CC[C@@H](C)N(CCO)CCn1ccccc1=O ZINC000310225050 491160806 /nfs/dbraw/zinc/16/08/06/491160806.db2.gz XYQPTNFYJPLBKE-GFCCVEGCSA-N 0 3 238.331 0.941 20 0 BCADHN CCN(CC)CC(=O)N(C)C1CCN(C)CC1 ZINC000348074750 535488837 /nfs/dbraw/zinc/48/88/37/535488837.db2.gz MLSOOFMUGSSDHQ-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CN(C)C1(C(=O)N2CC[C@H](O)[C@@H](F)C2)CCC1 ZINC000890686746 582504696 /nfs/dbraw/zinc/50/46/96/582504696.db2.gz IFDRQVUYXLHALA-UWVGGRQHSA-N 0 3 244.310 0.402 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N[C@@H](CO)C1CC1 ZINC000778695078 582553721 /nfs/dbraw/zinc/55/37/21/582553721.db2.gz HEBJJGLUEFJQAV-QWRGUYRKSA-N 0 3 241.335 0.151 20 0 BCADHN O=C1NCCC[C@@H]1N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844458983 582592986 /nfs/dbraw/zinc/59/29/86/582592986.db2.gz QMBCWISSACHYGW-RNJXMRFFSA-N 0 3 216.231 0.462 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1CSC[C@H]1C ZINC000510262369 533733666 /nfs/dbraw/zinc/73/36/66/533733666.db2.gz TTZVPUQUAOSWKO-UTLUCORTSA-N 0 3 245.392 0.987 20 0 BCADHN CC[C@@H](C)CN1CCN(C(=O)NC)CC1 ZINC000335353786 535512827 /nfs/dbraw/zinc/51/28/27/535512827.db2.gz AJYNRIZCCRDPNU-SNVBAGLBSA-N 0 3 213.325 0.990 20 0 BCADHN C[C@@H](CNC(=O)N(C)C)CN1CCN(C)CC1 ZINC000507191876 533908767 /nfs/dbraw/zinc/90/87/67/533908767.db2.gz IYPJBQDBWSCISV-NSHDSACASA-N 0 3 242.367 0.141 20 0 BCADHN CS[C@@H]1CCN(C[C@H]2CN(C)C(=O)O2)C1 ZINC000496361241 533978960 /nfs/dbraw/zinc/97/89/60/533978960.db2.gz MQLMFPPBXPQLIB-RKDXNWHRSA-N 0 3 230.333 0.874 20 0 BCADHN CCC[C@H](C)CN1CCO[C@@H](C(=O)NC)C1 ZINC000248439019 535612711 /nfs/dbraw/zinc/61/27/11/535612711.db2.gz IGQDEDZVDQTAAQ-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN CCC[C@H](C)N(C)C(=O)[C@@H](CN)OC ZINC000227350163 535627087 /nfs/dbraw/zinc/62/70/87/535627087.db2.gz YWKTVTRNMWBVAR-DTWKUNHWSA-N 0 3 202.298 0.607 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCC[C@@H]1CS(N)(=O)=O ZINC000488289720 534020983 /nfs/dbraw/zinc/02/09/83/534020983.db2.gz BANFFWGBWLWVLO-KXUCPTDWSA-N 0 3 232.349 0.395 20 0 BCADHN CON1CCN(CCCn2ccnc2C)CC1 ZINC000846974361 582671327 /nfs/dbraw/zinc/67/13/27/582671327.db2.gz AAFSJLSIKCDMCD-UHFFFAOYSA-N 0 3 238.335 0.761 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)/C=C/c2ncc[nH]2)C1 ZINC000493071815 534033271 /nfs/dbraw/zinc/03/32/71/534033271.db2.gz PMKUCIIDXQRUPD-KXMPLOMGSA-N 0 3 248.330 0.881 20 0 BCADHN CCOC(=O)CCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000351938321 535649758 /nfs/dbraw/zinc/64/97/58/535649758.db2.gz XSGGIOADGKCHCI-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CCOCCOCC(=O)N1CCN[C@H](C)[C@H]1C ZINC000262811367 535647310 /nfs/dbraw/zinc/64/73/10/535647310.db2.gz REALIFYXFMMQAI-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@H](O)C1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000492975799 534048752 /nfs/dbraw/zinc/04/87/52/534048752.db2.gz WAKBZPUKYMIZEC-WYGGZMRJSA-N 0 3 240.347 0.724 20 0 BCADHN COC[C@@H](C)NC(=O)NCCN1CC[C@H](C)C1 ZINC000891468276 582691202 /nfs/dbraw/zinc/69/12/02/582691202.db2.gz UTCLLQPGAZLGFO-WDEREUQCSA-N 0 3 243.351 0.662 20 0 BCADHN CC[C@@H](NC(=O)CCOC1CNC1)C(C)C ZINC000348996274 535786373 /nfs/dbraw/zinc/78/63/73/535786373.db2.gz XDLBWLNKVPILKA-LLVKDONJSA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@@H](O)CNC(=O)[C@@H](CC)N(CC)CC ZINC000344423775 535813992 /nfs/dbraw/zinc/81/39/92/535813992.db2.gz GNUFXWSWYNPBKG-GHMZBOCLSA-N 0 3 230.352 0.994 20 0 BCADHN CN(C)CCNC(=O)NCCc1ccco1 ZINC000342651042 535884245 /nfs/dbraw/zinc/88/42/45/535884245.db2.gz 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0.655 20 0 BCADHN CC(C)N(C)C(=O)CNC1(CO)CCCC1 ZINC000053069941 534968538 /nfs/dbraw/zinc/96/85/38/534968538.db2.gz XRXAYCXQBICVPR-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN CC1(C)OCC[C@H]1NC(=O)N1CCCNCC1 ZINC000335289759 534997336 /nfs/dbraw/zinc/99/73/36/534997336.db2.gz OWKGBLACTMUDFY-SNVBAGLBSA-N 0 3 241.335 0.559 20 0 BCADHN CC(C)(C)[C@@H](CO)NCC(=O)NCC1CC1 ZINC000193097807 535047037 /nfs/dbraw/zinc/04/70/37/535047037.db2.gz WXWXVLMBBLRSOE-SNVBAGLBSA-N 0 3 228.336 0.509 20 0 BCADHN CC(C)CN(CCc1cncn1C)CC(N)=O ZINC000347733455 535054139 /nfs/dbraw/zinc/05/41/39/535054139.db2.gz CXOZRQUXZJHSJM-UHFFFAOYSA-N 0 3 238.335 0.406 20 0 BCADHN CC(C)CN1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000363449920 535106033 /nfs/dbraw/zinc/10/60/33/535106033.db2.gz MUHXESCXBBHEER-UHFFFAOYSA-N 0 3 236.319 0.960 20 0 BCADHN CC(C)[C@H]1CN(C[C@H](C)O)CCN1C ZINC000251403488 535237136 /nfs/dbraw/zinc/23/71/36/535237136.db2.gz MKFDOGYCWLITDH-WDEREUQCSA-N 0 3 200.326 0.639 20 0 BCADHN CCCCN(C)CC(=O)NCC(=O)OC 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535347172 /nfs/dbraw/zinc/34/71/72/535347172.db2.gz DQTKHFORPCAQRN-UHFFFAOYSA-N 0 3 235.287 0.199 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CC[C@@](C)(O)C1 ZINC000336090073 535364844 /nfs/dbraw/zinc/36/48/44/535364844.db2.gz FQZJNGXIMMNJEN-WCQYABFASA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@@H](C(=O)N1CCCO[C@@H](C)C1)N(C)C ZINC000177975413 535402425 /nfs/dbraw/zinc/40/24/25/535402425.db2.gz NVKHUYPELGNXBY-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CCNC(=O)[C@H](C)NC1CC(OC)C1 ZINC000221252270 535403973 /nfs/dbraw/zinc/40/39/73/535403973.db2.gz HHAABJRRVONTEH-UEJVZZJDSA-N 0 3 200.282 0.278 20 0 BCADHN CCOCCC(=O)NC[C@H](C)N(C)C ZINC000342745761 535456337 /nfs/dbraw/zinc/45/63/37/535456337.db2.gz PTYBMCOIACSGED-VIFPVBQESA-N 0 3 202.298 0.479 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N1CCCNCC1 ZINC000335390117 535492208 /nfs/dbraw/zinc/49/22/08/535492208.db2.gz MJGVPGGXKHKRAO-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN CCN(CC)CC(=O)N1CCO[C@H](COC)C1 ZINC000176628212 535492495 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/nfs/dbraw/zinc/71/83/84/588718384.db2.gz YQSYKXZDTKSFSN-NSHDSACASA-N 0 3 210.277 0.741 20 0 BCADHN CC(C)[C@@H](O)CNC[C@H](O)c1ccccn1 ZINC000853110318 588719110 /nfs/dbraw/zinc/71/91/10/588719110.db2.gz YDZMTLHGXLWSDE-RYUDHWBXSA-N 0 3 224.304 0.722 20 0 BCADHN O=C1NCCC[C@@H]1CNC[C@H](O)c1ccccn1 ZINC000853098824 588719904 /nfs/dbraw/zinc/71/99/04/588719904.db2.gz NWGLEIQFGXAPEZ-PWSUYJOCSA-N 0 3 249.314 0.231 20 0 BCADHN CC1(C)[C@@H](CNCCS(C)(=O)=O)C1(F)F ZINC000853114368 588721483 /nfs/dbraw/zinc/72/14/83/588721483.db2.gz UNOVVWWOABFHOY-SSDOTTSWSA-N 0 3 241.303 0.912 20 0 BCADHN CC/C=C(/C)C(=O)N1CCOC2(CNC2)C1 ZINC000853244650 588728677 /nfs/dbraw/zinc/72/86/77/588728677.db2.gz AQXZSPODOIHCMQ-WMZJFQQLSA-N 0 3 224.304 0.544 20 0 BCADHN COCCN1CC[C@@H](Nc2cc(F)ncn2)C1 ZINC000853298092 588731408 /nfs/dbraw/zinc/73/14/08/588731408.db2.gz MFJZBUAXNCGCSO-SECBINFHSA-N 0 3 240.282 0.748 20 0 BCADHN CN(CC1CN(C)C1)CN1CC(F)(F)CC1=O ZINC000853553469 588748459 /nfs/dbraw/zinc/74/84/59/588748459.db2.gz FLNNUHHMNISPPN-UHFFFAOYSA-N 0 3 247.289 0.305 20 0 BCADHN CN(CC1CN(C)C1)Cn1cc(Cl)cn1 ZINC000853553707 588748577 /nfs/dbraw/zinc/74/85/77/588748577.db2.gz RYLDDQBGTLXMGP-UHFFFAOYSA-N 0 3 228.727 0.987 20 0 BCADHN CN(CC1CN(C)C1)c1ccnc(C(N)=O)c1 ZINC000853825591 588765069 /nfs/dbraw/zinc/76/50/69/588765069.db2.gz QOIZCXDYOJEPJK-UHFFFAOYSA-N 0 3 234.303 0.178 20 0 BCADHN Cc1cc(N2C[C@@H]3COC[C@@]3(C)C2)nc(N)n1 ZINC000853856639 588766057 /nfs/dbraw/zinc/76/60/57/588766057.db2.gz HIANOMWVGBRHAO-BXKDBHETSA-N 0 3 234.303 0.840 20 0 BCADHN Cc1cc(N2CC[C@@]3(O)C[C@H]3C2)nc(N)n1 ZINC000853858270 588766181 /nfs/dbraw/zinc/76/61/81/588766181.db2.gz HCCTVEPVLFDJOG-GZMMTYOYSA-N 0 3 220.276 0.328 20 0 BCADHN Cc1cc(NC(=O)[C@H]2CCN2)ccc1N ZINC000854010006 588771468 /nfs/dbraw/zinc/77/14/68/588771468.db2.gz JQVRQGZIHZRDDU-SNVBAGLBSA-N 0 3 205.261 0.878 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCC1=CCCC1 ZINC000854226359 588780573 /nfs/dbraw/zinc/78/05/73/588780573.db2.gz AMHRRXOSSONSGP-NWDGAFQWSA-N 0 3 238.331 0.980 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NN1CCCC1 ZINC000854328280 588784463 /nfs/dbraw/zinc/78/44/63/588784463.db2.gz SXFLQVSRIRIWLV-LLVKDONJSA-N 0 3 225.336 0.988 20 0 BCADHN COC/C=C\C(=O)NOC1CCN(C)CC1 ZINC000854357980 588784859 /nfs/dbraw/zinc/78/48/59/588784859.db2.gz NYKDPULCZRQPQV-ARJAWSKDSA-N 0 3 228.292 0.331 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)CCC(C)(C)O)CC1 ZINC000854357351 588785076 /nfs/dbraw/zinc/78/50/76/588785076.db2.gz AJJCBOWHHAORQT-UHFFFAOYSA-N 0 3 244.335 0.680 20 0 BCADHN CC(C)[C@@H](F)C(=O)N[C@H](CO)CN(C)C ZINC000854464617 588788523 /nfs/dbraw/zinc/78/85/23/588788523.db2.gz LEJCWSPSPOLADF-DTWKUNHWSA-N 0 3 220.288 0.019 20 0 BCADHN CC(C)[C@H](F)C(=O)N[C@H](CO)CN(C)C ZINC000854464618 588788597 /nfs/dbraw/zinc/78/85/97/588788597.db2.gz LEJCWSPSPOLADF-IUCAKERBSA-N 0 3 220.288 0.019 20 0 BCADHN COC(OC)[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC000854464959 588788620 /nfs/dbraw/zinc/78/86/20/588788620.db2.gz SIWULSRBRQGFIV-QMMMGPOBSA-N 0 3 241.291 0.384 20 0 BCADHN CC(C)=C(C)C(=O)N[C@H](CO)CN(C)C ZINC000854466644 588788673 /nfs/dbraw/zinc/78/86/73/588788673.db2.gz HNRNWEYVBDWPGP-JTQLQIEISA-N 0 3 214.309 0.381 20 0 BCADHN CSC(C)(C)C(=O)N[C@H](CO)CN(C)C ZINC000854466485 588788746 /nfs/dbraw/zinc/78/87/46/588788746.db2.gz DKUMBPHFJRBYLS-QMMMGPOBSA-N 0 3 234.365 0.167 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)C(F)=C1CCCC1 ZINC000854466832 588788842 /nfs/dbraw/zinc/78/88/42/588788842.db2.gz LLBSCWCSQMLUCB-JTQLQIEISA-N 0 3 244.310 0.823 20 0 BCADHN C[C@H]1[C@H](N(C)C)CCN1C(=O)c1ccc(C=O)[nH]1 ZINC000854655609 588799612 /nfs/dbraw/zinc/79/96/12/588799612.db2.gz QXQXFQFCEREQHB-JOYOIKCWSA-N 0 3 249.314 0.992 20 0 BCADHN CCn1cnc(C(=O)NOCCN(C)C)c1 ZINC000854691032 588801806 /nfs/dbraw/zinc/80/18/06/588801806.db2.gz UTGGLIZYYKDDEX-UHFFFAOYSA-N 0 3 226.280 0.126 20 0 BCADHN CCN(CC)CC(=O)NC[C@H]1CC(C)=NO1 ZINC000854790353 588809663 /nfs/dbraw/zinc/80/96/63/588809663.db2.gz DCCQETPZQVGIDA-SNVBAGLBSA-N 0 3 227.308 0.609 20 0 BCADHN CCc1nc(C(=O)NOCCN(C)C)c(C)o1 ZINC000854944990 588817634 /nfs/dbraw/zinc/81/76/34/588817634.db2.gz FWRAJWBLUMBRTG-UHFFFAOYSA-N 0 3 241.291 0.768 20 0 BCADHN COCCC[C@@H](C)C(=O)NOCCN(C)C ZINC000854945833 588817864 /nfs/dbraw/zinc/81/78/64/588817864.db2.gz RPSLVFYABRIVMW-SNVBAGLBSA-N 0 3 232.324 0.659 20 0 BCADHN C[C@@H](CNC(=O)/C=C\[C@H]1CCOC1)N(C)C ZINC000855009459 588820331 /nfs/dbraw/zinc/82/03/31/588820331.db2.gz VCXWIUBWWYYGNK-XXJOZFEBSA-N 0 3 226.320 0.645 20 0 BCADHN CC[C@@H](CO)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000855286571 588827245 /nfs/dbraw/zinc/82/72/45/588827245.db2.gz TWLVGTBHAFOXQN-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN CCN(C(=O)Cc1ncc[nH]1)[C@@H]1CCN(C)C1 ZINC000855362043 588828865 /nfs/dbraw/zinc/82/88/65/588828865.db2.gz MGHSCRHTXWUZHI-SNVBAGLBSA-N 0 3 236.319 0.505 20 0 BCADHN CCN(C(=O)/C=C\COC)[C@H]1CCN(C)C1 ZINC000855361080 588829134 /nfs/dbraw/zinc/82/91/34/588829134.db2.gz ROWURYOZEQYHLR-GZTOBOFZSA-N 0 3 226.320 0.742 20 0 BCADHN CCN(C(=O)/C=C\COC)[C@@H]1CCN(C)C1 ZINC000855361082 588829295 /nfs/dbraw/zinc/82/92/95/588829295.db2.gz ROWURYOZEQYHLR-ISALQUGTSA-N 0 3 226.320 0.742 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](O)[C@H](F)C1 ZINC000890700891 582508779 /nfs/dbraw/zinc/50/87/79/582508779.db2.gz ZWIUHASJEDGROF-ZJUUUORDSA-N 0 3 232.299 0.260 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)c3cncnc3)C[C@@H]2C1 ZINC000812341910 582512135 /nfs/dbraw/zinc/51/21/35/582512135.db2.gz HZTNESCPTWTNQH-PWSUYJOCSA-N 0 3 246.314 0.500 20 0 BCADHN CN1CCC(C(=O)NCC[C@H](O)C2CC2)CC1 ZINC000890714524 582512641 /nfs/dbraw/zinc/51/26/41/582512641.db2.gz RCRDVGRHVXRXBZ-LBPRGKRZSA-N 0 3 240.347 0.605 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H](C)CSC ZINC000127583784 582552009 /nfs/dbraw/zinc/55/20/09/582552009.db2.gz YILBIHHBOJRNIR-YUMQZZPRSA-N 0 3 220.338 0.218 20 0 BCADHN CCN1CCN(c2cc(C)nc(N)n2)[C@@H](C)C1 ZINC000804798382 582559251 /nfs/dbraw/zinc/55/92/51/582559251.db2.gz UTYUNFXWWPNYIY-JTQLQIEISA-N 0 3 235.335 0.898 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC000891065990 582607233 /nfs/dbraw/zinc/60/72/33/582607233.db2.gz VCPKGUCVBFSRKZ-NWDGAFQWSA-N 0 3 240.347 0.869 20 0 BCADHN CN1CCC(ONC(=O)[C@H]2CCC(=O)C2)CC1 ZINC000846650997 582663716 /nfs/dbraw/zinc/66/37/16/582663716.db2.gz HRSOLDOBNGUIMF-VIFPVBQESA-N 0 3 240.303 0.498 20 0 BCADHN CN1CCC(ONC(=O)[C@@H]2CCC(=O)C2)CC1 ZINC000846650994 582663863 /nfs/dbraw/zinc/66/38/63/582663863.db2.gz HRSOLDOBNGUIMF-SECBINFHSA-N 0 3 240.303 0.498 20 0 BCADHN CN(CCC(N)=O)Cc1ccc2nonc2c1 ZINC000846902745 582670633 /nfs/dbraw/zinc/67/06/33/582670633.db2.gz JBLFUBPHEQOYOU-UHFFFAOYSA-N 0 3 234.259 0.530 20 0 BCADHN CN(CC1CN(C)C1)C(=O)c1c[nH]c(=S)[nH]1 ZINC000855642448 588843164 /nfs/dbraw/zinc/84/31/64/588843164.db2.gz YIEOIBNQPXKSBF-UHFFFAOYSA-N 0 3 240.332 0.332 20 0 BCADHN CCN1CCC(NC(=O)N2CC[C@@H]2CO)CC1 ZINC000891547597 582695662 /nfs/dbraw/zinc/69/56/62/582695662.db2.gz DHJFXSXGYJIJIF-LLVKDONJSA-N 0 3 241.335 0.247 20 0 BCADHN CCN1CCC(NC(=O)N2CC[C@H]2CO)CC1 ZINC000891547598 582695746 /nfs/dbraw/zinc/69/57/46/582695746.db2.gz DHJFXSXGYJIJIF-NSHDSACASA-N 0 3 241.335 0.247 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1N[C@H](C)C1CCC1 ZINC000668508846 582706193 /nfs/dbraw/zinc/70/61/93/582706193.db2.gz XBZHTACALAWUIG-FBIMIBRVSA-N 0 3 247.360 0.577 20 0 BCADHN O=C(CNc1ccncc1CO)N1CCCCC1 ZINC000891823819 582726538 /nfs/dbraw/zinc/72/65/38/582726538.db2.gz IESSHORIIHWASL-UHFFFAOYSA-N 0 3 249.314 0.420 20 0 BCADHN CC[C@H](CO)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000779811151 582738934 /nfs/dbraw/zinc/73/89/34/582738934.db2.gz VWCWOIAWWLDGMR-HOSYDEDBSA-N 0 3 240.347 0.604 20 0 BCADHN CC[C@H](CO)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000779811150 582738976 /nfs/dbraw/zinc/73/89/76/582738976.db2.gz VWCWOIAWWLDGMR-FOGDFJRCSA-N 0 3 240.347 0.604 20 0 BCADHN C[C@H](CNc1cnc(CO)cn1)N(C)C ZINC000892027409 582765598 /nfs/dbraw/zinc/76/55/98/582765598.db2.gz DXZVWTAVDUNCSK-MRVPVSSYSA-N 0 3 210.281 0.331 20 0 BCADHN COCCNCCNC(=O)N1CCC(F)CC1 ZINC000892056993 582776873 /nfs/dbraw/zinc/77/68/73/582776873.db2.gz WMHREBVCEZLXEL-UHFFFAOYSA-N 0 3 247.314 0.366 20 0 BCADHN CC[C@H](NC(=O)[C@@H]1C[C@@H]1N)[C@H]1CCCCO1 ZINC000848442694 582789046 /nfs/dbraw/zinc/78/90/46/582789046.db2.gz HKJZHXVTEHERBB-VPOLOUISSA-N 0 3 226.320 0.798 20 0 BCADHN CCC(O)(CC)CNc1ccncc1CO ZINC000892125825 582796062 /nfs/dbraw/zinc/79/60/62/582796062.db2.gz NXDBDYDXARSJMZ-UHFFFAOYSA-N 0 3 224.304 0.959 20 0 BCADHN CC(=O)NC1CCN(c2ccncc2CO)CC1 ZINC000892149929 582801947 /nfs/dbraw/zinc/80/19/47/582801947.db2.gz IDQYGDDWISJSMZ-UHFFFAOYSA-N 0 3 249.314 0.679 20 0 BCADHN CNC(=O)CCN(C)c1cc(N)ncc1Cl ZINC000892299573 582831105 /nfs/dbraw/zinc/83/11/05/582831105.db2.gz FLHHCPJAXXZSGG-UHFFFAOYSA-N 0 3 242.710 0.890 20 0 BCADHN CN(C)C1(C(=O)N2CC[C@@H]2CO)CCC1 ZINC000889142745 582843487 /nfs/dbraw/zinc/84/34/87/582843487.db2.gz QNUIZFIQGAVKQH-SECBINFHSA-N 0 3 212.293 0.064 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CC12CC(O)C2 ZINC000888965356 582849187 /nfs/dbraw/zinc/84/91/87/582849187.db2.gz UDFNIDNZTLNMDL-YZRBJQDESA-N 0 3 226.320 0.358 20 0 BCADHN NC(=O)[C@@H]1CCN(c2cc(N)ncc2Cl)C1 ZINC000892341344 582861086 /nfs/dbraw/zinc/86/10/86/582861086.db2.gz VNYYALCACUEOJS-ZCFIWIBFSA-N 0 3 240.694 0.629 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H](C)COC)[C@H]1OC ZINC000892445069 582888611 /nfs/dbraw/zinc/88/86/11/582888611.db2.gz YQKSNGONJDQWRB-LNFKQOIKSA-N 0 3 217.309 0.803 20 0 BCADHN OC[C@@H](NCc1cnc2n1CCC2)C1CC1 ZINC000850136601 582895566 /nfs/dbraw/zinc/89/55/66/582895566.db2.gz ABHKMQCLUVZKBM-LLVKDONJSA-N 0 3 221.304 0.690 20 0 BCADHN OC[C@H](NCc1cnc2n1CCC2)C1CC1 ZINC000850136602 582895642 /nfs/dbraw/zinc/89/56/42/582895642.db2.gz ABHKMQCLUVZKBM-NSHDSACASA-N 0 3 221.304 0.690 20 0 BCADHN CCn1cnnc1CCNc1ccncc1CO ZINC000892585493 582921903 /nfs/dbraw/zinc/92/19/03/582921903.db2.gz VADMJTHQGZHXPH-UHFFFAOYSA-N 0 3 247.302 0.262 20 0 BCADHN C[C@@H](CNc1ccncc1CO)C[C@H](C)O ZINC000892644490 582937151 /nfs/dbraw/zinc/93/71/51/582937151.db2.gz FAWZWPAPQAYNOC-ZJUUUORDSA-N 0 3 224.304 0.815 20 0 BCADHN CN1CCN(C)[C@@H](CNCc2ccc(O)cc2)C1 ZINC000225313124 582937180 /nfs/dbraw/zinc/93/71/80/582937180.db2.gz QZQALYSRDUCJGU-ZDUSSCGKSA-N 0 3 249.358 0.728 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H](C)C(=O)NC(C)(C)C ZINC000892681258 582952780 /nfs/dbraw/zinc/95/27/80/582952780.db2.gz HCYFPPUEZLZWHC-IUCAKERBSA-N 0 3 244.335 0.831 20 0 BCADHN CCn1cc(CN[C@@H](C)Cn2cncn2)c(C)n1 ZINC000892687465 582955828 /nfs/dbraw/zinc/95/58/28/582955828.db2.gz SIIOJCHAECPGRS-JTQLQIEISA-N 0 3 248.334 0.981 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H](C)Cc1cnccn1 ZINC000892689612 582956348 /nfs/dbraw/zinc/95/63/48/582956348.db2.gz MPXWSHVLTUPLBG-ZJUUUORDSA-N 0 3 237.303 0.949 20 0 BCADHN CCN(CC)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851719985 582963754 /nfs/dbraw/zinc/96/37/54/582963754.db2.gz XPSQEUZHMOGCOD-CYBMUJFWSA-N 0 3 236.315 0.701 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCC(=O)O2)CCCO1 ZINC000851748294 582965864 /nfs/dbraw/zinc/96/58/64/582965864.db2.gz LTRFFQWFDRIOQI-NXEZZACHSA-N 0 3 213.277 0.803 20 0 BCADHN Cc1cc(N)nc(N[C@H](C)CC[S@@](C)=O)n1 ZINC000892721204 582967669 /nfs/dbraw/zinc/96/76/69/582967669.db2.gz PCFSXALYBGPARU-VGDKGRGNSA-N 0 3 242.348 0.936 20 0 BCADHN c1nonc1CN1CCN(c2ccncc2)CC1 ZINC000851811479 582968907 /nfs/dbraw/zinc/96/89/07/582968907.db2.gz XPQXHKLWAKVWSJ-UHFFFAOYSA-N 0 3 245.286 0.787 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCC(=O)O2)[C@H](C)CN1C ZINC000851887426 582977295 /nfs/dbraw/zinc/97/72/95/582977295.db2.gz OTFGATADJNWADV-MXWKQRLJSA-N 0 3 226.320 0.716 20 0 BCADHN C[C@]1(NC(=O)Cc2ccon2)CN2CCC1CC2 ZINC000892779765 582981093 /nfs/dbraw/zinc/98/10/93/582981093.db2.gz CPJCBILSZJHWCC-ZDUSSCGKSA-N 0 3 249.314 0.818 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)c1ccncc1CO ZINC000892790567 582982991 /nfs/dbraw/zinc/98/29/91/582982991.db2.gz FRNJKOPVTMHHNF-VIFPVBQESA-N 0 3 237.303 0.392 20 0 BCADHN C[C@@]1(NC(=O)Cn2cccn2)CN2CCC1CC2 ZINC000892792997 582983479 /nfs/dbraw/zinc/98/34/79/582983479.db2.gz MQPDWXNAFRVWLY-CYBMUJFWSA-N 0 3 248.330 0.484 20 0 BCADHN CO[C@@H](C)C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892788249 582983526 /nfs/dbraw/zinc/98/35/26/582983526.db2.gz AYCCLNVPVRYBCF-JOYOIKCWSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@]1(NC(=O)C2CC2)CN2CCC1CC2 ZINC000892798894 582984848 /nfs/dbraw/zinc/98/48/48/582984848.db2.gz FWEZKBLVKOPYBT-GFCCVEGCSA-N 0 3 208.305 0.997 20 0 BCADHN CC[C@@H](CO)C(=O)N1C[C@@H](C)N[C@@H](CC)C1 ZINC000856407827 588871957 /nfs/dbraw/zinc/87/19/57/588871957.db2.gz CKHBDPICVPKAAS-VWYCJHECSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@@H]1CN(C(=O)c2cnsn2)C[C@H](C)N1 ZINC000856409064 588871997 /nfs/dbraw/zinc/87/19/97/588871997.db2.gz BSJJQEPHCWMNMO-JGVFFNPUSA-N 0 3 240.332 0.751 20 0 BCADHN CC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H](C)N1 ZINC000856408333 588872096 /nfs/dbraw/zinc/87/20/96/588872096.db2.gz JXALGTATZHUKBC-JGVFFNPUSA-N 0 3 223.280 0.017 20 0 BCADHN Cn1cc(CNCC[S@](C)=O)c(C2CC2)n1 ZINC000893004477 583028715 /nfs/dbraw/zinc/02/87/15/583028715.db2.gz IUKMDYJFPIVWQV-INIZCTEOSA-N 0 3 241.360 0.766 20 0 BCADHN COc1ccc(CNCCC[S@@](C)=O)nc1 ZINC000893004657 583028728 /nfs/dbraw/zinc/02/87/28/583028728.db2.gz XPQKLGTXMABXGJ-MRXNPFEDSA-N 0 3 242.344 0.948 20 0 BCADHN C[C@@H](CO)CCCNc1ccncc1CO ZINC000893008588 583029703 /nfs/dbraw/zinc/02/97/03/583029703.db2.gz OCRFTVNZEBFNKM-SNVBAGLBSA-N 0 3 224.304 0.816 20 0 BCADHN C[C@H](c1ccncc1)N(C)CCC(N)=O ZINC000395038960 583032408 /nfs/dbraw/zinc/03/24/08/583032408.db2.gz JLKVPDNDSXJBGJ-SECBINFHSA-N 0 3 207.277 0.950 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)CCN1 ZINC000856483724 588873533 /nfs/dbraw/zinc/87/35/33/588873533.db2.gz JNVMDYYRYPDUJY-LBPRGKRZSA-N 0 3 249.314 0.390 20 0 BCADHN CNC(=O)[C@H]1CCC[C@@H]1Nc1ccncc1CO ZINC000893052455 583038330 /nfs/dbraw/zinc/03/83/30/583038330.db2.gz FCSYGXFPXZUQIN-JQWIXIFHSA-N 0 3 249.314 0.322 20 0 BCADHN CC(C)[C@H]1CN(C(=O)C2(F)CC2)CCN1 ZINC000856489483 588873813 /nfs/dbraw/zinc/87/38/13/588873813.db2.gz GNRICTHHVIPWOW-SECBINFHSA-N 0 3 214.284 0.945 20 0 BCADHN COCCOC[C@@H](C)N[C@H](C)COC(C)=O ZINC000893079239 583044076 /nfs/dbraw/zinc/04/40/76/583044076.db2.gz HXGGGVBVPZTFJQ-NXEZZACHSA-N 0 3 233.308 0.579 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@H](O)C2CC2)CCN1 ZINC000856490136 588873941 /nfs/dbraw/zinc/87/39/41/588873941.db2.gz WRKVYIJTQWJWGZ-GHMZBOCLSA-N 0 3 226.320 0.214 20 0 BCADHN CC[C@H](CO)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000856490030 588873992 /nfs/dbraw/zinc/87/39/92/588873992.db2.gz UFPOKIZCANQCTC-GHMZBOCLSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@@H](O)C[C@@H](C)Nc1ccncc1CO ZINC000893128280 583054052 /nfs/dbraw/zinc/05/40/52/583054052.db2.gz SLTKXKVPFXSZMM-RKDXNWHRSA-N 0 3 210.277 0.567 20 0 BCADHN Cc1cc(N)nc(N[C@H](C)C[S@@](C)=O)n1 ZINC000893138411 583056011 /nfs/dbraw/zinc/05/60/11/583056011.db2.gz GZRPBBGYXAFIPT-KWKYVRJSSA-N 0 3 228.321 0.546 20 0 BCADHN CNS(=O)(=O)CCN1C[C@H](C)CC1(C)C ZINC000856727394 588875495 /nfs/dbraw/zinc/87/54/95/588875495.db2.gz LYKOQOYKEWOYPP-SECBINFHSA-N 0 3 234.365 0.656 20 0 BCADHN CO[C@]1(CNc2nc(C)cc(N)n2)CCOC1 ZINC000893192718 583068368 /nfs/dbraw/zinc/06/83/68/583068368.db2.gz ZKFZJFAVKAGMMC-NSHDSACASA-N 0 3 238.291 0.585 20 0 BCADHN CO[C@]1(CNc2ccncc2CO)CCOC1 ZINC000893192037 583068653 /nfs/dbraw/zinc/06/86/53/583068653.db2.gz QCAYYUOHHXFFPG-LBPRGKRZSA-N 0 3 238.287 0.213 20 0 BCADHN CNS(=O)(=O)CCN1CCCC12CCC2 ZINC000856738706 588875911 /nfs/dbraw/zinc/87/59/11/588875911.db2.gz PUYTXGVKJUOKLZ-UHFFFAOYSA-N 0 3 232.349 0.554 20 0 BCADHN Cn1cc(CN[C@@H]2CCN(C)C2)c(Cl)n1 ZINC000856768916 588876923 /nfs/dbraw/zinc/87/69/23/588876923.db2.gz CXAFZVJKFQBVRO-SECBINFHSA-N 0 3 228.727 0.867 20 0 BCADHN CCn1cc(CNCC[C@@H](O)COC)c(C)n1 ZINC000893256640 583079314 /nfs/dbraw/zinc/07/93/14/583079314.db2.gz IQWJWKRDEUNOIU-GFCCVEGCSA-N 0 3 241.335 0.698 20 0 BCADHN CN(C)CCNC(=O)Nc1cnc2ccnn2c1 ZINC000888921478 583079449 /nfs/dbraw/zinc/07/94/49/583079449.db2.gz ZNDZROPSIOXBKA-UHFFFAOYSA-N 0 3 248.290 0.412 20 0 BCADHN CCOc1cncc(CNCC[S@@](C)=O)c1 ZINC000856770454 588876594 /nfs/dbraw/zinc/87/65/94/588876594.db2.gz QYLKWAFSKDCYGX-MRXNPFEDSA-N 0 3 242.344 0.948 20 0 BCADHN CC(=O)OC[C@@H](C)NCCc1cnccn1 ZINC000893283880 583085564 /nfs/dbraw/zinc/08/55/64/583085564.db2.gz AOVATOGWTNJKSG-SECBINFHSA-N 0 3 223.276 0.560 20 0 BCADHN C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)C ZINC000855009864 583095743 /nfs/dbraw/zinc/09/57/43/583095743.db2.gz BRILOZKMNVTUNZ-ZETCQYMHSA-N 0 3 244.726 0.753 20 0 BCADHN C[N@@H+]1CC[C@@H](C(=O)[N-]OCC2CCC2)C1 ZINC000856348735 588869222 /nfs/dbraw/zinc/86/92/22/588869222.db2.gz CNCZZMISYKEFNY-SNVBAGLBSA-N 0 3 212.293 0.786 20 0 BCADHN C[N@H+]1CC[C@@H](C(=O)[N-]OCC2CCC2)C1 ZINC000856348735 588869223 /nfs/dbraw/zinc/86/92/23/588869223.db2.gz CNCZZMISYKEFNY-SNVBAGLBSA-N 0 3 212.293 0.786 20 0 BCADHN CC(C)C(=O)NCCCNCc1cnccn1 ZINC000856775194 588877131 /nfs/dbraw/zinc/87/71/31/588877131.db2.gz GVUIHYSHJWSLAP-UHFFFAOYSA-N 0 3 236.319 0.729 20 0 BCADHN CCOC1CC(O)(CNCc2cnccn2)C1 ZINC000856782435 588877531 /nfs/dbraw/zinc/87/75/31/588877531.db2.gz TYYVGSMXMSIYLO-UHFFFAOYSA-N 0 3 237.303 0.496 20 0 BCADHN NC(=O)[C@H]1CC[C@H](CNCc2cnccn2)CC1 ZINC000856790489 588878334 /nfs/dbraw/zinc/87/83/34/588878334.db2.gz BJFVNMZGMJZQOM-XYPYZODXSA-N 0 3 248.330 0.858 20 0 BCADHN CC1(C)CC[C@H](CO)N(CC2OCCO2)C1 ZINC000856803173 588878617 /nfs/dbraw/zinc/87/86/17/588878617.db2.gz APEMIQGRCPTEBQ-SNVBAGLBSA-N 0 3 229.320 0.842 20 0 BCADHN CN(C)CCNC(=S)NCC1(CCO)CC1 ZINC000777502170 583136427 /nfs/dbraw/zinc/13/64/27/583136427.db2.gz LAEGFEAFLZCANG-UHFFFAOYSA-N 0 3 245.392 0.175 20 0 BCADHN CCN1C[C@@H](CN[C@H](C)c2cnccn2)CC1=O ZINC000652296655 583155165 /nfs/dbraw/zinc/15/51/65/583155165.db2.gz ALXQAIGRPSVFJT-GHMZBOCLSA-N 0 3 248.330 0.996 20 0 BCADHN C[C@H](O)CN(C)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893546041 583161652 /nfs/dbraw/zinc/16/16/52/583161652.db2.gz ONKIZNIIRRKYDT-DCAQKATOSA-N 0 3 247.310 0.933 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@H](C)COC(C)=O)[C@@H]1OC ZINC000893592079 583168475 /nfs/dbraw/zinc/16/84/75/583168475.db2.gz HVRODPGZOSXTFA-KLHWPWHYSA-N 0 3 245.319 0.720 20 0 BCADHN C[C@@H]1SCC[C@@H]1NC(=S)NCCN(C)C ZINC000843291077 583170684 /nfs/dbraw/zinc/17/06/84/583170684.db2.gz URZYUEBNNVHCBT-IUCAKERBSA-N 0 3 247.433 0.906 20 0 BCADHN CO[C@]1(CN[C@@H](C)COC(C)=O)CCOC1 ZINC000893612917 583173592 /nfs/dbraw/zinc/17/35/92/583173592.db2.gz VOTVWSLNIZSSCP-ONGXEEELSA-N 0 3 231.292 0.333 20 0 BCADHN NC[C@@H]1CC(C(=O)NCC[C@H]2CC2(F)F)=NO1 ZINC000857007883 588881952 /nfs/dbraw/zinc/88/19/52/588881952.db2.gz XFHJBXULKBOKHA-BQBZGAKWSA-N 0 3 247.245 0.252 20 0 BCADHN CC1(C)OC[C@H](CN2CCC[C@H](O)C2)O1 ZINC000224069362 583182334 /nfs/dbraw/zinc/18/23/34/583182334.db2.gz CGVDUZHTZBPOPV-UWVGGRQHSA-N 0 3 215.293 0.595 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(c2ccncc2CO)C1 ZINC000893652427 583187506 /nfs/dbraw/zinc/18/75/06/583187506.db2.gz TVTMLOXSRMEBIH-ZDUSSCGKSA-N 0 3 249.314 0.536 20 0 BCADHN C/C=C/C[C@H](CO)NC1CC(S(C)(=O)=O)C1 ZINC000893661541 583189778 /nfs/dbraw/zinc/18/97/78/583189778.db2.gz PXFLBGPRIAHGNN-BRGCQXALSA-N 0 3 247.360 0.479 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@H]2C[C@H](O)C2(C)C)[C@H]1OC ZINC000893706838 583207005 /nfs/dbraw/zinc/20/70/05/583207005.db2.gz KEHAFUQJYNCOJP-KZZRWZIVSA-N 0 3 243.347 0.928 20 0 BCADHN Cc1n[nH]c(CN2CCC[C@@H](C(N)=O)C2)c1C ZINC000893864646 583234674 /nfs/dbraw/zinc/23/46/74/583234674.db2.gz XXGAVKNMUYKYAF-SNVBAGLBSA-N 0 3 236.319 0.724 20 0 BCADHN Cc1[nH]nc(CN2CCC[C@@H](C(N)=O)C2)c1C ZINC000893864646 583234675 /nfs/dbraw/zinc/23/46/75/583234675.db2.gz XXGAVKNMUYKYAF-SNVBAGLBSA-N 0 3 236.319 0.724 20 0 BCADHN CN1C[C@H]2CCN(c3ncc(F)cn3)[C@H]2C1 ZINC000893933851 583251372 /nfs/dbraw/zinc/25/13/72/583251372.db2.gz DJRQLTVVOWCSQI-SCZZXKLOSA-N 0 3 222.267 0.756 20 0 BCADHN Cc1nsc(N2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000893933879 583251763 /nfs/dbraw/zinc/25/17/63/583251763.db2.gz DPHFZJMZWHYOKJ-DTWKUNHWSA-N 0 3 224.333 0.987 20 0 BCADHN CCc1nnc(CNc2ccncc2CO)[nH]1 ZINC000894009611 583271389 /nfs/dbraw/zinc/27/13/89/583271389.db2.gz SFTLTJCFJUZHSL-UHFFFAOYSA-N 0 3 233.275 0.288 20 0 BCADHN CNC(=O)[C@@H]1CCCN(Cc2ocnc2C)C1 ZINC000894020898 583275032 /nfs/dbraw/zinc/27/50/32/583275032.db2.gz SGHYRHCOVJVCIN-SNVBAGLBSA-N 0 3 237.303 0.941 20 0 BCADHN C[C@@H](NC1CC2(C1)CO[C@H](C)C2)C(N)=O ZINC000894066354 583293310 /nfs/dbraw/zinc/29/33/10/583293310.db2.gz KWYYEDZFUTXPQQ-BFWVQVCMSA-N 0 3 212.293 0.407 20 0 BCADHN CC[C@@H](Nc1nc(C)cc(N)n1)[C@@H](C)O ZINC000894078426 583297725 /nfs/dbraw/zinc/29/77/25/583297725.db2.gz ZRQSWAQIGBEYFW-HTQZYQBOSA-N 0 3 210.281 0.939 20 0 BCADHN COC[C@H](N[C@H](C)COC(C)=O)[C@H]1CCCO1 ZINC000894117425 583310551 /nfs/dbraw/zinc/31/05/51/583310551.db2.gz FIEKETYDPKFIFW-ADEWGFFLSA-N 0 3 245.319 0.722 20 0 BCADHN COc1ccc(CNC[C@]2(O)CCO[C@H]2C)o1 ZINC000894119294 583310885 /nfs/dbraw/zinc/31/08/85/583310885.db2.gz WUDYYQCODFNBRS-JOYOIKCWSA-N 0 3 241.287 0.918 20 0 BCADHN Cc1cc(N)nc(NCCc2cn(C)cn2)n1 ZINC000894151527 583319099 /nfs/dbraw/zinc/31/90/99/583319099.db2.gz PMLATSXPRWBSCL-UHFFFAOYSA-N 0 3 232.291 0.755 20 0 BCADHN Cc1cc(N2CC[C@@H](C(=O)N(C)C)C2)nc(N)n1 ZINC000894193926 583334013 /nfs/dbraw/zinc/33/40/13/583334013.db2.gz UPBSQQRJVYPTEO-SECBINFHSA-N 0 3 249.318 0.282 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN[C@H](C)CO)C1(F)F ZINC000894200424 583338045 /nfs/dbraw/zinc/33/80/45/583338045.db2.gz MANLTLZPUMQCPI-VQVTYTSYSA-N 0 3 223.219 0.011 20 0 BCADHN O=C1CC[C@H](Nc2ccncc2CO)CCN1 ZINC000894206839 583350695 /nfs/dbraw/zinc/35/06/95/583350695.db2.gz QDHKBKHRCRJRQX-JTQLQIEISA-N 0 3 235.287 0.076 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C[C@H](O)CC1(O)CCCC1 ZINC000878319733 583369883 /nfs/dbraw/zinc/36/98/83/583369883.db2.gz ZURKCMGCHBQSKO-IJLUTSLNSA-N 0 3 243.347 0.498 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCN3C(=O)CC[C@H]3C2)C1 ZINC000878331382 583370704 /nfs/dbraw/zinc/37/07/04/583370704.db2.gz TZSCABICSKQJJS-SDDRHHMPSA-N 0 3 238.331 0.718 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1ccnnc1 ZINC000857283231 588902320 /nfs/dbraw/zinc/90/23/20/588902320.db2.gz ARBMAOYQAOOTNT-UHFFFAOYSA-N 0 3 222.292 0.547 20 0 BCADHN C[C@H](O)[C@H]1CN(c2ccncc2CO)CCO1 ZINC000894225828 583383499 /nfs/dbraw/zinc/38/34/99/583383499.db2.gz YZKOWHSZMNSLLE-JOYOIKCWSA-N 0 3 238.287 0.160 20 0 BCADHN CC(=O)OC[C@H](C)NCC1([S@](C)=O)CCC1 ZINC000894227631 583383653 /nfs/dbraw/zinc/38/36/53/583383653.db2.gz UIVJYWFTYKCDLW-FVMDXXJSSA-N 0 3 247.360 0.829 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H](CO)CCOC)[C@H]1OC ZINC000894248613 583390645 /nfs/dbraw/zinc/39/06/45/583390645.db2.gz LUWQEBHAMLQUCN-DDHJBXDOSA-N 0 3 247.335 0.166 20 0 BCADHN CN(C)CC(C)(C)NC(=O)CC1OCCCO1 ZINC000857283978 588903046 /nfs/dbraw/zinc/90/30/46/588903046.db2.gz RBZJTAQSFKNFQI-UHFFFAOYSA-N 0 3 244.335 0.596 20 0 BCADHN COC[C@H](O)CNCc1cnc(F)cc1C ZINC000894277915 583407117 /nfs/dbraw/zinc/40/71/17/583407117.db2.gz OJUQUQXDRUJQCP-SNVBAGLBSA-N 0 3 228.267 0.626 20 0 BCADHN CN(C)CCOCCNC(=O)[C@]1(C)C[C@@H]1F ZINC000424784151 583413304 /nfs/dbraw/zinc/41/33/04/583413304.db2.gz KEEMOOHAWZHCCS-GXSJLCMTSA-N 0 3 232.299 0.429 20 0 BCADHN 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BCADHN C[C@H]1[C@@H](Nc2ccncc2C(N)=O)CCN1C ZINC000895737413 583718131 /nfs/dbraw/zinc/71/81/31/583718131.db2.gz UHLHPLAKNUWMOU-WPRPVWTQSA-N 0 3 234.303 0.107 20 0 BCADHN C[C@H]1[C@@H](Nc2ncnc3c2nnn3C)CCN1C ZINC000895736246 583718259 /nfs/dbraw/zinc/71/82/59/583718259.db2.gz IHNRFYDDELABLG-YUMQZZPRSA-N 0 3 247.306 0.263 20 0 BCADHN COC(OC)[C@@H](C)NC[C@@H](OC)[C@@H]1CCOC1 ZINC000895789197 583727789 /nfs/dbraw/zinc/72/77/89/583727789.db2.gz HZFSVCMTHOSEBZ-GMTAPVOTSA-N 0 3 247.335 0.635 20 0 BCADHN Cc1ccnc(N)c1CNCCN1CCNC1=O ZINC000895815139 583733675 /nfs/dbraw/zinc/73/36/75/583733675.db2.gz XDXCEYKWXQHLMY-UHFFFAOYSA-N 0 3 249.318 0.087 20 0 BCADHN C[C@H]1CO[C@H](C(=O)NCCN(C)C2CC2)C1 ZINC000895876139 583737737 /nfs/dbraw/zinc/73/77/37/583737737.db2.gz UPWPJQHFVVUYHX-KOLCDFICSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000895875711 583737907 /nfs/dbraw/zinc/73/79/07/583737907.db2.gz NHIOLDARSFQNKO-UMNHJUIQSA-N 0 3 238.331 0.764 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCn2cncc21)N(C)C ZINC000857979319 588925930 /nfs/dbraw/zinc/92/59/30/588925930.db2.gz AZHUSLARVBMUOZ-NXEZZACHSA-N 0 3 236.319 0.784 20 0 BCADHN COCC1CN(Cc2ccc(C(N)=O)cc2)C1 ZINC000895972051 583756875 /nfs/dbraw/zinc/75/68/75/583756875.db2.gz RIVJAHJVDWFJIH-UHFFFAOYSA-N 0 3 234.299 0.864 20 0 BCADHN COCC[C@@H](C)N[C@H]1CS(=O)(=O)C1(C)C ZINC000895982038 583757404 /nfs/dbraw/zinc/75/74/04/583757404.db2.gz KXBFLXCHTRMYKD-BDAKNGLRSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@H]1C[C@H](N[C@H]2CS(=O)(=O)C2(C)C)CCO1 ZINC000895982415 583758175 /nfs/dbraw/zinc/75/81/75/583758175.db2.gz OULUQFGGFNFEMK-AEJSXWLSSA-N 0 3 247.360 0.719 20 0 BCADHN C[C@@H](N[C@H]1CS(=O)(=O)C1(C)C)[C@@H]1CCOC1 ZINC000895982510 583758242 /nfs/dbraw/zinc/75/82/42/583758242.db2.gz BPFBADXOEVCENX-BBBLOLIVSA-N 0 3 247.360 0.577 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000896031357 583764426 /nfs/dbraw/zinc/76/44/26/583764426.db2.gz QSDMXKUOCFWOPS-HGNGGELXSA-N 0 3 249.332 0.103 20 0 BCADHN 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C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)C(C)(C)O ZINC000896616558 583818340 /nfs/dbraw/zinc/81/83/40/583818340.db2.gz FTBOOGIGXDWIMU-LPEHRKFASA-N 0 3 243.351 0.538 20 0 BCADHN CS(=O)(=O)CCCNCc1ccnc(F)c1 ZINC000858125362 588934408 /nfs/dbraw/zinc/93/44/08/588934408.db2.gz BHQQSKKRTNGUHF-UHFFFAOYSA-N 0 3 246.307 0.745 20 0 BCADHN CCN(CCC(N)=O)Cc1cccn1C ZINC000896714582 583826194 /nfs/dbraw/zinc/82/61/94/583826194.db2.gz HDZUWXRTPDUQGP-UHFFFAOYSA-N 0 3 209.293 0.722 20 0 BCADHN CCN(CCC(N)=O)Cc1ccn(C)c1 ZINC000896713264 583826583 /nfs/dbraw/zinc/82/65/83/583826583.db2.gz WQHGYNLESVBASJ-UHFFFAOYSA-N 0 3 209.293 0.722 20 0 BCADHN OCC1(NCc2ccnc(F)c2)CCOCC1 ZINC000858138810 588935078 /nfs/dbraw/zinc/93/50/78/588935078.db2.gz KOBQCBRVJLMMJU-UHFFFAOYSA-N 0 3 240.278 0.852 20 0 BCADHN C[S@](=O)CCNCc1ccnc(F)c1 ZINC000858140021 588935243 /nfs/dbraw/zinc/93/52/43/588935243.db2.gz XXWLCRROBGPKGM-AWEZNQCLSA-N 0 3 216.281 0.689 20 0 BCADHN CN(C)CCN(C)C(=O)c1cncc2nc[nH]c21 ZINC000896820631 583836548 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0 3 249.314 0.488 20 0 BCADHN NC(=O)[C@H]1C[C@H](NCc2ccnc(F)c2)C1 ZINC000858247086 588940412 /nfs/dbraw/zinc/94/04/12/588940412.db2.gz OZZHDLZRYKTRBL-KYZUINATSA-N 0 3 223.251 0.574 20 0 BCADHN Cc1cc(N[C@H]2CC(=O)N(C(C)C)C2)nc(N)n1 ZINC000728710352 583905144 /nfs/dbraw/zinc/90/51/44/583905144.db2.gz WLGJAJAJTNDILP-VIFPVBQESA-N 0 3 249.318 0.788 20 0 BCADHN CS[C@@H]1CC[C@@H]1NC[C@H](O)c1ccnn1C ZINC000897302588 583912375 /nfs/dbraw/zinc/91/23/75/583912375.db2.gz RFNZGDYTEWGKCE-INTQDDNPSA-N 0 3 241.360 0.937 20 0 BCADHN CN(C)CCOCCNC(=O)C1(C2CC2)CC1 ZINC000897313102 583915456 /nfs/dbraw/zinc/91/54/56/583915456.db2.gz URKFJFVTFGBCQX-UHFFFAOYSA-N 0 3 240.347 0.871 20 0 BCADHN CN1CCOC[C@H]1CNCc1ccc(F)nc1 ZINC000858276243 588941790 /nfs/dbraw/zinc/94/17/90/588941790.db2.gz LPYKYTZJGYVSBB-LLVKDONJSA-N 0 3 239.294 0.641 20 0 BCADHN O=C1C[C@H](NCc2cncc(O)c2)CCCN1 ZINC000897315961 583917921 /nfs/dbraw/zinc/91/79/21/583917921.db2.gz UQZDBJUSQWLRPF-SNVBAGLBSA-N 0 3 235.287 0.546 20 0 BCADHN O=C1C[C@H]([NH2+]Cc2cncc([O-])c2)CCCN1 ZINC000897315961 583917924 /nfs/dbraw/zinc/91/79/24/583917924.db2.gz UQZDBJUSQWLRPF-SNVBAGLBSA-N 0 3 235.287 0.546 20 0 BCADHN Cc1nnsc1CN[C@H](C)CCO ZINC000379401967 583928104 /nfs/dbraw/zinc/92/81/04/583928104.db2.gz LYJURWVDVGJTOE-ZCFIWIBFSA-N 0 3 201.295 0.707 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)C1CCC1)c1ccnn1C ZINC000871011777 583934157 /nfs/dbraw/zinc/93/41/57/583934157.db2.gz YJLBQIXIVDBFLS-KWQFWETISA-N 0 3 236.319 0.725 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1CCO[C@H](C)C1 ZINC000858319159 588944837 /nfs/dbraw/zinc/94/48/37/588944837.db2.gz CQCYDIHOWQPQFZ-UTLUCORTSA-N 0 3 230.308 0.552 20 0 BCADHN CCn1ncc(CNC[C@H]2C[C@@H](OC)C2)n1 ZINC000858331458 588946220 /nfs/dbraw/zinc/94/62/20/588946220.db2.gz XMVZDKWVLIAWMH-JGZJWPJOSA-N 0 3 224.308 0.813 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N(C)CCN(C)C2CC2)C1 ZINC000897418927 583962384 /nfs/dbraw/zinc/96/23/84/583962384.db2.gz RBHIIFOFNXBDTF-CMPLNLGQSA-N 0 3 240.347 0.964 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000862538453 583963689 /nfs/dbraw/zinc/96/36/89/583963689.db2.gz AASGJZMLBYBXFX-INTQDDNPSA-N 0 3 242.319 0.552 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000862538479 583963702 /nfs/dbraw/zinc/96/37/02/583963702.db2.gz AASGJZMLBYBXFX-LSJOCFKGSA-N 0 3 242.319 0.552 20 0 BCADHN CN(C)CCN(C(=O)C1CSC1)C1CC1 ZINC000897423217 583964486 /nfs/dbraw/zinc/96/44/86/583964486.db2.gz MDWYYHXWTCENBS-UHFFFAOYSA-N 0 3 228.361 0.902 20 0 BCADHN CN(C)CCN(C(=O)[C@H]1C[C@@H](O)C1)C1CC1 ZINC000897423554 583964733 /nfs/dbraw/zinc/96/47/33/583964733.db2.gz PWLOPSGCEWYHSM-JGZJWPJOSA-N 0 3 226.320 0.310 20 0 BCADHN CCON(CC)C(=O)CNC[C@H]1CCCOC1 ZINC000858220436 588939356 /nfs/dbraw/zinc/93/93/56/588939356.db2.gz ZILTXXDPPKMGSP-LLVKDONJSA-N 0 3 244.335 0.803 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)C1CSC1 ZINC000897429638 583973122 /nfs/dbraw/zinc/97/31/22/583973122.db2.gz GFQPKEOCCNVBJE-VIFPVBQESA-N 0 3 228.361 0.950 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)[C@@H]1CCCN1C ZINC000897429479 583973186 /nfs/dbraw/zinc/97/31/86/583973186.db2.gz FEPKELZOLIZDEO-RYUDHWBXSA-N 0 3 239.363 0.681 20 0 BCADHN C[C@H](O)CN(C)C(=O)NCCN1CC[C@H](C)C1 ZINC000897441925 583984560 /nfs/dbraw/zinc/98/45/60/583984560.db2.gz MMJDRYZXXPTQBF-QWRGUYRKSA-N 0 3 243.351 0.350 20 0 BCADHN C[C@@H](O)CN(C)C(=O)NCCN1CC[C@H](C)C1 ZINC000897441926 583984697 /nfs/dbraw/zinc/98/46/97/583984697.db2.gz MMJDRYZXXPTQBF-WDEREUQCSA-N 0 3 243.351 0.350 20 0 BCADHN CC[C@@H](NC1CSC1)C(=O)N1CCOCC1 ZINC000393781911 583984777 /nfs/dbraw/zinc/98/47/77/583984777.db2.gz SKFNIOWBEMSSSA-SNVBAGLBSA-N 0 3 244.360 0.329 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)NCCCF)C1 ZINC000897442215 583984980 /nfs/dbraw/zinc/98/49/80/583984980.db2.gz COXFXMIKBZHMSM-SNVBAGLBSA-N 0 3 231.315 0.987 20 0 BCADHN CC[C@@H](CO)NC(=O)NCCN1CC[C@H](C)C1 ZINC000897451469 583985936 /nfs/dbraw/zinc/98/59/36/583985936.db2.gz NFQFMYCFUABZNX-QWRGUYRKSA-N 0 3 243.351 0.398 20 0 BCADHN CC[C@@H](CO)NC(=O)NCCN1CC[C@@H](C)C1 ZINC000897451468 583985939 /nfs/dbraw/zinc/98/59/39/583985939.db2.gz NFQFMYCFUABZNX-MNOVXSKESA-N 0 3 243.351 0.398 20 0 BCADHN C[C@@H](O)CNC(=O)NCCN1CC[C@H](C)C1 ZINC000897455044 583987548 /nfs/dbraw/zinc/98/75/48/583987548.db2.gz NJGDSJQOBSKUJX-VHSXEESVSA-N 0 3 229.324 0.008 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)NCCCCO)C1 ZINC000897455833 583987726 /nfs/dbraw/zinc/98/77/26/583987726.db2.gz WFNDAPMRZVIBJQ-LLVKDONJSA-N 0 3 243.351 0.400 20 0 BCADHN CCON(C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000897455257 583987732 /nfs/dbraw/zinc/98/77/32/583987732.db2.gz QDLMNMLWEJSOAL-SNVBAGLBSA-N 0 3 229.324 0.921 20 0 BCADHN C[C@@H](CF)NC(=O)NCCN1CC[C@@H](C)C1 ZINC000897460785 583988393 /nfs/dbraw/zinc/98/83/93/583988393.db2.gz WPVMDHFESIQMHC-ZJUUUORDSA-N 0 3 231.315 0.985 20 0 BCADHN COC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)C ZINC000729314631 583990245 /nfs/dbraw/zinc/99/02/45/583990245.db2.gz PWFZXWPDOUOZNN-QMMMGPOBSA-N 0 3 245.323 0.187 20 0 BCADHN COC(=O)c1coc(CN[C@@H]2CCN(C)C2)c1 ZINC000135634828 583992272 /nfs/dbraw/zinc/99/22/72/583992272.db2.gz SNOSPXCNNZDXPZ-SNVBAGLBSA-N 0 3 238.287 0.860 20 0 BCADHN O=C(CNc1ccnc(CO)c1)N1CCCCC1 ZINC000858348062 588947546 /nfs/dbraw/zinc/94/75/46/588947546.db2.gz DYPOWVBLCXJQJT-UHFFFAOYSA-N 0 3 249.314 0.998 20 0 BCADHN C[C@H](N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 ZINC000252448670 584011888 /nfs/dbraw/zinc/01/18/88/584011888.db2.gz ZIXQDNWXBKXLMI-LPEHRKFASA-N 0 3 233.333 0.331 20 0 BCADHN COC(=O)N(CCN(C)C)CCN(C)C ZINC000729436016 584014331 /nfs/dbraw/zinc/01/43/31/584014331.db2.gz LDLUNUNBHIQASJ-UHFFFAOYSA-N 0 3 217.313 0.178 20 0 BCADHN CNC(=S)N(CCOC)CCN(C)C ZINC000729645847 584021053 /nfs/dbraw/zinc/02/10/53/584021053.db2.gz SUHVOCJYCYISGC-UHFFFAOYSA-N 0 3 219.354 0.001 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1cc2ccccc2[nH]1 ZINC000865739739 584027950 /nfs/dbraw/zinc/02/79/50/584027950.db2.gz UKJVPQCIVBGKKQ-TVQRCGJNSA-N 0 3 234.299 0.999 20 0 BCADHN CN(C)CCNC(=S)N[C@H]1CCCOC1 ZINC000729943857 584030846 /nfs/dbraw/zinc/03/08/46/584030846.db2.gz RRSMKKAPVQPGIU-VIFPVBQESA-N 0 3 231.365 0.191 20 0 BCADHN C[C@@H]1CN(Cc2ccc(=O)[nH]c2)C[C@H]1O ZINC000897680806 584038405 /nfs/dbraw/zinc/03/84/05/584038405.db2.gz WMSVHHXLXXPVPP-PSASIEDQSA-N 0 3 208.261 0.600 20 0 BCADHN Cc1ccnc(N)c1CN1C[C@@H](C)[C@H](O)C1 ZINC000897680839 584038578 /nfs/dbraw/zinc/03/85/78/584038578.db2.gz WVWAKOUMYUQMRQ-MWLCHTKSSA-N 0 3 221.304 0.785 20 0 BCADHN Cc1ccnc(N)c1CN1C[C@@H](C)[C@@H](O)C1 ZINC000897680838 584038687 /nfs/dbraw/zinc/03/86/87/584038687.db2.gz WVWAKOUMYUQMRQ-KOLCDFICSA-N 0 3 221.304 0.785 20 0 BCADHN C=Cn1cc(CN2C[C@H](O)[C@@H](C)C2)cn1 ZINC000897681052 584038792 /nfs/dbraw/zinc/03/87/92/584038792.db2.gz YIELGDNYTYQQKI-ONGXEEELSA-N 0 3 207.277 0.796 20 0 BCADHN Cc1cnn(C)c1CN1C[C@H](C)[C@H](O)C1 ZINC000897681058 584039211 /nfs/dbraw/zinc/03/92/11/584039211.db2.gz YJFTXAUMVGGTFL-GXSJLCMTSA-N 0 3 209.293 0.541 20 0 BCADHN COC(=O)c1cc(CN2C[C@@H](C)[C@H](O)C2)c[nH]1 ZINC000897683372 584040650 /nfs/dbraw/zinc/04/06/50/584040650.db2.gz CJINZDNQDVUAMI-LDYMZIIASA-N 0 3 238.287 0.614 20 0 BCADHN CC(=O)c1cncc(C(=O)N[C@@H](C)CN(C)C)c1 ZINC000897760099 584044558 /nfs/dbraw/zinc/04/45/58/584044558.db2.gz HWUCDOOQVNQAKE-VIFPVBQESA-N 0 3 249.314 0.964 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897760223 584044563 /nfs/dbraw/zinc/04/45/63/584044563.db2.gz KJHAMTLBDMATEW-QWRGUYRKSA-N 0 3 241.379 0.926 20 0 BCADHN CCn1nnc(C)c1CN[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897814642 584047098 /nfs/dbraw/zinc/04/70/98/584047098.db2.gz XYCWQPXOQXWFPT-WAPUPBOZSA-N 0 3 248.330 0.872 20 0 BCADHN CC[C@@](C)(CN[C@]1(C)CCNC1=O)OC ZINC000897869157 584055220 /nfs/dbraw/zinc/05/52/20/584055220.db2.gz PDMPYCVFIQOSRJ-WDEREUQCSA-N 0 3 214.309 0.670 20 0 BCADHN CCC[C@H](CN[C@]1(C)CCNC1=O)OC ZINC000897868241 584055555 /nfs/dbraw/zinc/05/55/55/584055555.db2.gz GYUHRNNOMYBDQZ-MWLCHTKSSA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@H](C)[C@@H](CN[C@@]1(C)CCNC1=O)OC ZINC000897869126 584055643 /nfs/dbraw/zinc/05/56/43/584055643.db2.gz OUQZGKWTQLBYND-UMNHJUIQSA-N 0 3 228.336 0.916 20 0 BCADHN CO[C@H](CN[C@@]1(C)CCNC1=O)C1CC1 ZINC000897869369 584055983 /nfs/dbraw/zinc/05/59/83/584055983.db2.gz QVUJNRXLLMXQKI-KOLCDFICSA-N 0 3 212.293 0.280 20 0 BCADHN CN(C)CCONC(=O)c1cncc2[nH]cnc21 ZINC000897878176 584057265 /nfs/dbraw/zinc/05/72/65/584057265.db2.gz YOLXJMYOZVYKMD-UHFFFAOYSA-N 0 3 249.274 0.181 20 0 BCADHN O=C1NC(=O)C2(CN(C[C@@H]3CC=CCC3)C2)N1 ZINC000897906351 584059897 /nfs/dbraw/zinc/05/98/97/584059897.db2.gz REKWBXOEABGRMF-SECBINFHSA-N 0 3 235.287 0.237 20 0 BCADHN Cc1n[nH]cc1CNC1CC(CCO)C1 ZINC000898007911 584070535 /nfs/dbraw/zinc/07/05/35/584070535.db2.gz KFGSRQSILMPZBZ-UHFFFAOYSA-N 0 3 209.293 0.969 20 0 BCADHN OCCC1CC(NCc2cn3cccnc3n2)C1 ZINC000898010573 584071408 /nfs/dbraw/zinc/07/14/08/584071408.db2.gz LZSPULZNAOQGEM-UHFFFAOYSA-N 0 3 246.314 0.980 20 0 BCADHN COc1nccc(CNC2CC(CCO)C2)n1 ZINC000898010530 584071464 /nfs/dbraw/zinc/07/14/64/584071464.db2.gz KWACMWOTLJBLLT-UHFFFAOYSA-N 0 3 237.303 0.736 20 0 BCADHN OCc1cc(NC[C@]2(O)CCSC2)ccn1 ZINC000858433568 588954382 /nfs/dbraw/zinc/95/43/82/588954382.db2.gz CJJQHVMRCIAFET-LLVKDONJSA-N 0 3 240.328 0.854 20 0 BCADHN Nc1nc(N)nc(NCCC2CCC2)n1 ZINC000858441085 588954923 /nfs/dbraw/zinc/95/49/23/588954923.db2.gz DUBRSGATNUIPPG-UHFFFAOYSA-N 0 3 208.269 0.638 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1cc(=O)cc[nH]1 ZINC000898037723 584078945 /nfs/dbraw/zinc/07/89/45/584078945.db2.gz VEEJYEHCHOBXFI-SNVBAGLBSA-N 0 3 249.314 0.589 20 0 BCADHN Cc1ccc(CNCCCc2nnnn2C)o1 ZINC000898042035 584080037 /nfs/dbraw/zinc/08/00/37/584080037.db2.gz GZGGHJSMHWDRMP-UHFFFAOYSA-N 0 3 235.291 0.834 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)c1cn[nH]n1)N(C)C ZINC000898145110 584086471 /nfs/dbraw/zinc/08/64/71/584086471.db2.gz URQHEJBYPNYJFS-ZETCQYMHSA-N 0 3 225.296 0.106 20 0 BCADHN O=S1(=O)CCC[C@H](NCC[C@@H](O)C2CC2)C1 ZINC000898203560 584090486 /nfs/dbraw/zinc/09/04/86/584090486.db2.gz XEFHBOKDQZJMQR-WDEREUQCSA-N 0 3 247.360 0.314 20 0 BCADHN Cn1nccc1CNCC[C@@H](O)C1CC1 ZINC000898205412 584091418 /nfs/dbraw/zinc/09/14/18/584091418.db2.gz DIDAKBJQSVWYNI-LLVKDONJSA-N 0 3 209.293 0.671 20 0 BCADHN CCCCN(CC(N)=O)c1ccnc(CO)c1 ZINC000858452744 588956371 /nfs/dbraw/zinc/95/63/71/588956371.db2.gz OBLXPMWCJWDGQG-UHFFFAOYSA-N 0 3 237.303 0.666 20 0 BCADHN O[C@@H](CCNCc1cn2cccnc2n1)C1CC1 ZINC000898197469 584097733 /nfs/dbraw/zinc/09/77/33/584097733.db2.gz GTHTYXLJALYIEB-LBPRGKRZSA-N 0 3 246.314 0.980 20 0 BCADHN Cc1cc(CNCC[C@@H](O)C2CC2)n(C)n1 ZINC000898200100 584099559 /nfs/dbraw/zinc/09/95/59/584099559.db2.gz VLIKIPJKTHCXFM-GFCCVEGCSA-N 0 3 223.320 0.979 20 0 BCADHN O=C1CC[C@H]2CN(c3ccnc(CO)c3)CCN12 ZINC000858460702 588956873 /nfs/dbraw/zinc/95/68/73/588956873.db2.gz CPRCDDHJDYHLFN-LBPRGKRZSA-N 0 3 247.298 0.385 20 0 BCADHN COC[C@@H](O)CCNc1ccnc(CO)c1 ZINC000858461418 588957009 /nfs/dbraw/zinc/95/70/09/588957009.db2.gz NDEPKUWOZRLZQM-NSHDSACASA-N 0 3 226.276 0.383 20 0 BCADHN CCn1cc(CN(C)CCN(C)C2CC2)nn1 ZINC000898311931 584111078 /nfs/dbraw/zinc/11/10/78/584111078.db2.gz OSJGUBKCBOUJGM-UHFFFAOYSA-N 0 3 237.351 0.824 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)Cc1ccon1 ZINC000746259335 584129747 /nfs/dbraw/zinc/12/97/47/584129747.db2.gz LXLVKXSZDSOCTQ-NSHDSACASA-N 0 3 239.319 0.920 20 0 BCADHN O=C1C[C@]2(NCc3cn[nH]c3)CCCC[C@@H]2N1 ZINC000898461920 584138926 /nfs/dbraw/zinc/13/89/26/584138926.db2.gz BKQQPTNSUBXDEU-CMPLNLGQSA-N 0 3 234.303 0.701 20 0 BCADHN C[C@@H](C(=O)N1CC(N2CCCC2)C1)N(C)C ZINC000898598844 584144439 /nfs/dbraw/zinc/14/44/39/584144439.db2.gz DCPJEMNKYSSBSN-JTQLQIEISA-N 0 3 225.336 0.243 20 0 BCADHN CN(C)C1(C(=O)N2CC(N3CCCC3)C2)CC1 ZINC000898600623 584145218 /nfs/dbraw/zinc/14/52/18/584145218.db2.gz CYESPVOVEPVXLL-UHFFFAOYSA-N 0 3 237.347 0.387 20 0 BCADHN NC(=O)[C@H]1C[C@H](N[C@@H]2CCCc3n[nH]cc32)C1 ZINC000858494533 588960551 /nfs/dbraw/zinc/96/05/51/588960551.db2.gz KNAARFDDIWDRQZ-NQMVMOMDSA-N 0 3 234.303 0.641 20 0 BCADHN CN(CC1(CO)CC1)c1ccnc(CO)c1 ZINC000858505323 588961098 /nfs/dbraw/zinc/96/10/98/588961098.db2.gz IJMBRKBWZXCPND-UHFFFAOYSA-N 0 3 222.288 0.783 20 0 BCADHN Cc1n[nH]nc1NC(=O)C1CCN(C)CC1 ZINC000898747685 584156702 /nfs/dbraw/zinc/15/67/02/584156702.db2.gz WDLYHTOYPJIWHU-UHFFFAOYSA-N 0 3 223.280 0.393 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(c2ccnc(CO)c2)C1 ZINC000858525142 588962623 /nfs/dbraw/zinc/96/26/23/588962623.db2.gz PVSKQPJWIHTCCM-ZDUSSCGKSA-N 0 3 249.314 0.536 20 0 BCADHN C[C@H](Nc1ccnc(CO)c1)C(=O)NCCF ZINC000858530319 588963164 /nfs/dbraw/zinc/96/31/64/588963164.db2.gz AJBNYYDJWYAWDD-QMMMGPOBSA-N 0 3 241.266 0.460 20 0 BCADHN CN(CC(=O)N[C@]12C[C@H]1COC2)CC(C)(C)C ZINC000899244069 584186278 /nfs/dbraw/zinc/18/62/78/584186278.db2.gz WNLBLCWFKSZFTJ-GWCFXTLKSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)(CNc1ccnc(CO)c1)OCCO ZINC000858548822 588964704 /nfs/dbraw/zinc/96/47/04/588964704.db2.gz PCBQVVMRGQTPKV-UHFFFAOYSA-N 0 3 240.303 0.773 20 0 BCADHN C[C@]1(F)CCCN(c2nc(N)nc(N)n2)C1 ZINC000858556572 588965086 /nfs/dbraw/zinc/96/50/86/588965086.db2.gz NRTVVIOQCQVFJD-VIFPVBQESA-N 0 3 226.259 0.364 20 0 BCADHN CCO[C@@H](CNC(=S)NC(C)C)CN(C)C ZINC000899566623 584219778 /nfs/dbraw/zinc/21/97/78/584219778.db2.gz QVQDHACJTOBZRG-JTQLQIEISA-N 0 3 247.408 0.826 20 0 BCADHN CCO[C@H]1CCN(C(=S)NCCN(C)C)C1 ZINC000899589955 584220575 /nfs/dbraw/zinc/22/05/75/584220575.db2.gz YMWZCSNFCPVFNU-JTQLQIEISA-N 0 3 245.392 0.533 20 0 BCADHN CNC(=S)NC[C@H]1CCN1C1CCOCC1 ZINC000899602609 584220990 /nfs/dbraw/zinc/22/09/90/584220990.db2.gz UOEWAKFFUBMUFT-SNVBAGLBSA-N 0 3 243.376 0.334 20 0 BCADHN CN(C)CCNC(=S)N[C@]12C[C@H]1CCC2 ZINC000899618951 584221731 /nfs/dbraw/zinc/22/17/31/584221731.db2.gz XUCWDZNKBKUJMG-MWLCHTKSSA-N 0 3 227.377 0.955 20 0 BCADHN CNC(=S)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000899663450 584222517 /nfs/dbraw/zinc/22/25/17/584222517.db2.gz CZHAABVPZMJNOL-VHSXEESVSA-N 0 3 243.376 0.022 20 0 BCADHN CNC(=S)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000899663448 584222670 /nfs/dbraw/zinc/22/26/70/584222670.db2.gz CZHAABVPZMJNOL-UWVGGRQHSA-N 0 3 243.376 0.022 20 0 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ZINC000899740707 584233948 /nfs/dbraw/zinc/23/39/48/584233948.db2.gz MQOLBTSEBZTNSI-UHFFFAOYSA-N 0 3 228.336 0.773 20 0 BCADHN CN(CCO)CCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000899741435 584234715 /nfs/dbraw/zinc/23/47/15/584234715.db2.gz XSMAOUOLMGYWCC-QJPTWQEYSA-N 0 3 240.347 0.463 20 0 BCADHN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCCN(C)CCO ZINC000899742160 584234990 /nfs/dbraw/zinc/23/49/90/584234990.db2.gz PSOXZFNITWMRFK-WRWGMCAJSA-N 0 3 240.347 0.319 20 0 BCADHN CC[C@@](C)(N)c1cn(-c2ncccn2)nn1 ZINC000899745732 584235596 /nfs/dbraw/zinc/23/55/96/584235596.db2.gz UKLQTFPFAYEAKG-SNVBAGLBSA-N 0 3 218.264 0.641 20 0 BCADHN Cc1ncccc1C(=O)NCCN(C)CCO ZINC000899733829 584235788 /nfs/dbraw/zinc/23/57/88/584235788.db2.gz KFEAETFVNHCUGW-UHFFFAOYSA-N 0 3 237.303 0.044 20 0 BCADHN CN(CCO)CCNC(=O)[C@H]1Cc2ccccc21 ZINC000899733970 584235862 /nfs/dbraw/zinc/23/58/62/584235862.db2.gz OYDZXDQWXRYZJR-ZDUSSCGKSA-N 0 3 248.326 0.367 20 0 BCADHN O[C@H](CNC[C@H](O)c1ccco1)C1(O)CCC1 ZINC000899871626 584244512 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GCOFAVKUDYCWFS-GFCCVEGCSA-N 0 3 248.330 0.649 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)NCCN(C)CCOC ZINC000900518435 584320997 /nfs/dbraw/zinc/32/09/97/584320997.db2.gz PUBBWFUBSBWOBK-QWRGUYRKSA-N 0 3 246.351 0.088 20 0 BCADHN C/C=C\[C@H](O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000900543600 584324500 /nfs/dbraw/zinc/32/45/00/584324500.db2.gz UYAYSGSKBOEXKA-WOMWGJRJSA-N 0 3 226.320 0.522 20 0 BCADHN C[C@@H](CNC(=O)CCF)N(C)C1CC1 ZINC000900544958 584324922 /nfs/dbraw/zinc/32/49/22/584324922.db2.gz XURMEJLGXVEMOA-QMMMGPOBSA-N 0 3 202.273 0.945 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)N[C@H]1CCCN(C)C1 ZINC000900593059 584329750 /nfs/dbraw/zinc/32/97/50/584329750.db2.gz ZZBYDZRBCVDXSS-VWYCJHECSA-N 0 3 228.336 0.604 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1n[nH]cc1F ZINC000900586207 584331609 /nfs/dbraw/zinc/33/16/09/584331609.db2.gz KISVUDSIFRPJBT-UHFFFAOYSA-N 0 3 242.298 0.963 20 0 BCADHN COCCN1CC[C@H](NC(=O)CCF)C1 ZINC000900623808 584332791 /nfs/dbraw/zinc/33/27/91/584332791.db2.gz LRIMYQWBVDYUOO-VIFPVBQESA-N 0 3 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ZINC000734165273 584959315 /nfs/dbraw/zinc/95/93/15/584959315.db2.gz VXFGUWJOFMZEAY-ZDUSSCGKSA-N 0 3 248.326 0.907 20 0 BCADHN C[C@H]1C(=O)CCCN1C(=O)C[C@H]1CCN(C)C1 ZINC000885063427 584966060 /nfs/dbraw/zinc/96/60/60/584966060.db2.gz NXHVMOJDVFHVTN-WDEREUQCSA-N 0 3 238.331 0.908 20 0 BCADHN CC(C)([NH3+])CNc1ccc(-c2nnn[n-]2)cn1 ZINC000735671120 584980717 /nfs/dbraw/zinc/98/07/17/584980717.db2.gz NNVLXAXUVOQPMF-UHFFFAOYSA-N 0 3 233.279 0.411 20 0 BCADHN CC(C)([NH3+])CNc1ccc(-c2nn[n-]n2)cn1 ZINC000735671120 584980718 /nfs/dbraw/zinc/98/07/18/584980718.db2.gz NNVLXAXUVOQPMF-UHFFFAOYSA-N 0 3 233.279 0.411 20 0 BCADHN CC(C)=CC(=O)NCCCN1CCC(O)CC1 ZINC000735831590 584982253 /nfs/dbraw/zinc/98/22/53/584982253.db2.gz PBTLJOXVDZYLPX-UHFFFAOYSA-N 0 3 240.347 0.916 20 0 BCADHN CN(CCS(N)(=O)=O)C1CCCCCC1 ZINC000735884349 584983079 /nfs/dbraw/zinc/98/30/79/584983079.db2.gz YCKIEAYQIIHKQG-UHFFFAOYSA-N 0 3 234.365 0.930 20 0 BCADHN CC(C)C[C@@H](C)N(C)CCS(N)(=O)=O ZINC000735884283 584983599 /nfs/dbraw/zinc/98/35/99/584983599.db2.gz WOJVJXCOCBWWTG-SECBINFHSA-N 0 3 222.354 0.641 20 0 BCADHN CCC[C@@H](CNC(=S)NCCN(C)C)OC ZINC000840773779 584986858 /nfs/dbraw/zinc/98/68/58/584986858.db2.gz GADCVIXFBYNFJO-JTQLQIEISA-N 0 3 247.408 0.827 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1COCC[C@H]1OC)N(C)C ZINC000889185760 584992645 /nfs/dbraw/zinc/99/26/45/584992645.db2.gz VNVUBCFSNYVQCG-OUAUKWLOSA-N 0 3 244.335 0.247 20 0 BCADHN CN1CCC(NC(=O)/C=C/[C@H]2CCCO2)CC1 ZINC000819027523 584998804 /nfs/dbraw/zinc/99/88/04/584998804.db2.gz DZMBAWVSDGXAGM-ZYOFXKKJSA-N 0 3 238.331 0.932 20 0 BCADHN Cc1nonc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000736673066 585009400 /nfs/dbraw/zinc/00/94/00/585009400.db2.gz FLPDCBOISRDQSW-VIFPVBQESA-N 0 3 238.291 0.450 20 0 BCADHN COC1(CC(=O)N2CCN3CC[C@H]2C3)CCC1 ZINC000615571817 585009884 /nfs/dbraw/zinc/00/98/84/585009884.db2.gz PALCESZSPPXUMO-NSHDSACASA-N 0 3 238.331 0.862 20 0 BCADHN Cc1cnc(COC(=O)C2CCN(C)C2=O)cn1 ZINC000772517528 585015236 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246.376 0.848 20 0 BCADHN CCn1ncc(CNC[C@@H](C)N(C)C2CC2)n1 ZINC000838940020 585081966 /nfs/dbraw/zinc/08/19/66/585081966.db2.gz GILNDHWBMZZQOV-SNVBAGLBSA-N 0 3 237.351 0.870 20 0 BCADHN C[C@@H]1CCN(C[C@@H](O)C2CC2)[C@@H](C(N)=O)C1 ZINC000838942012 585081986 /nfs/dbraw/zinc/08/19/86/585081986.db2.gz SFNANXFQZPBPJW-FBIMIBRVSA-N 0 3 226.320 0.343 20 0 BCADHN CCn1ncc(CN[C@H]2CN(C3CC3)C[C@@H]2C)n1 ZINC000838981402 585084024 /nfs/dbraw/zinc/08/40/24/585084024.db2.gz PWNCEHSKPWWIGB-GWCFXTLKSA-N 0 3 249.362 0.870 20 0 BCADHN CC(C)CC[C@H](O)CN1CCCN(C=O)CC1 ZINC000839022504 585087650 /nfs/dbraw/zinc/08/76/50/585087650.db2.gz WTBZBMCIUZDJNM-ZDUSSCGKSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@H](CNC(=O)Nc1cnsn1)N(C)C ZINC000839110847 585091706 /nfs/dbraw/zinc/09/17/06/585091706.db2.gz AHNGMQKPZKVBNJ-ZCFIWIBFSA-N 0 3 229.309 0.610 20 0 BCADHN OC[C@@H]1CN(Cc2ccc(CF)cc2)C[C@@H]1O ZINC000839172820 585096380 /nfs/dbraw/zinc/09/63/80/585096380.db2.gz RCOTVEMAVOEXMV-STQMWFEESA-N 0 3 239.290 0.941 20 0 BCADHN CCCOC(=O)[C@H](C)N1CCCN(C)CC1 ZINC000839463910 585105585 /nfs/dbraw/zinc/10/55/85/585105585.db2.gz NMDSEOWPZDCPBT-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCN(CC)CCOC(=O)C1CN(C(C)=O)C1 ZINC000788157657 585115533 /nfs/dbraw/zinc/11/55/33/585115533.db2.gz QIUQXAOJFZWGTC-UHFFFAOYSA-N 0 3 242.319 0.350 20 0 BCADHN Cn1cncc1CN[C@@H](CO)C[C@H]1CCCO1 ZINC000886229972 585115957 /nfs/dbraw/zinc/11/59/57/585115957.db2.gz YLHKKHMJSJTURA-ZYHUDNBSSA-N 0 3 239.319 0.440 20 0 BCADHN C/C=C\C(=O)NCCN(C)CCCOC ZINC000741726156 585117232 /nfs/dbraw/zinc/11/72/32/585117232.db2.gz DZRVANAOAIGTNY-XQRVVYSFSA-N 0 3 214.309 0.647 20 0 BCADHN C[C@@H]1CCC[C@H](C)N(CCS(N)(=O)=O)C1 ZINC000741793465 585118879 /nfs/dbraw/zinc/11/88/79/585118879.db2.gz MJFZNJCHNZZDKU-ZJUUUORDSA-N 0 3 234.365 0.785 20 0 BCADHN C[C@H]1CC(=O)N(CN2CC[C@@H](N3CC=CC3)C2)C1 ZINC000742163396 585122702 /nfs/dbraw/zinc/12/27/02/585122702.db2.gz RNAWLIUAZONDTG-QWHCGFSZSA-N 0 3 249.358 0.758 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)[C@H]1COCCO1 ZINC000742239673 585123671 /nfs/dbraw/zinc/12/36/71/585123671.db2.gz GFRDXVHNBZWVQX-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)[C@@H]1CCOC1 ZINC000742239632 585123697 /nfs/dbraw/zinc/12/36/97/585123697.db2.gz ONFUEWRAYUYBDX-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)[C@@H]1CCCO1 ZINC000742239089 585123791 /nfs/dbraw/zinc/12/37/91/585123791.db2.gz DSUHHVQCWCNNTG-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1NC(=S)N(CCN2CCC[C@@H]2C)C1=O ZINC000742256716 585123902 /nfs/dbraw/zinc/12/39/02/585123902.db2.gz UBNJMNYXXOGAIA-IUCAKERBSA-N 0 3 241.360 0.576 20 0 BCADHN Cc1nccc(C(=O)NCCN2CCC[C@@H]2C)n1 ZINC000742237984 585123938 /nfs/dbraw/zinc/12/39/38/585123938.db2.gz ASHUHEUXOMBYSP-JTQLQIEISA-N 0 3 248.330 0.999 20 0 BCADHN Cc1noc(CONC(=N)COC(C)C)n1 ZINC000742357627 585124743 /nfs/dbraw/zinc/12/47/43/585124743.db2.gz ZGRWRTMLFKVAFD-UHFFFAOYSA-N 0 3 228.252 0.801 20 0 BCADHN C[C@H](CCO)CNC(=S)NCCN(C)C ZINC000743029474 585133260 /nfs/dbraw/zinc/13/32/60/585133260.db2.gz IMOGZGNIHVRULR-SECBINFHSA-N 0 3 233.381 0.031 20 0 BCADHN C[C@H](CNC(=O)c1ncccn1)N1CCCC1 ZINC000743305692 585135034 /nfs/dbraw/zinc/13/50/34/585135034.db2.gz OXSQDJDRFCHZLE-SNVBAGLBSA-N 0 3 234.303 0.691 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)c1ncccn1 ZINC000743337622 585135212 /nfs/dbraw/zinc/13/52/12/585135212.db2.gz XPXXHSPZNZIYIE-UHFFFAOYSA-N 0 3 248.330 0.890 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2ncccn2)CCN1C ZINC000743638580 585138490 /nfs/dbraw/zinc/13/84/90/585138490.db2.gz RQICIKRHXRCNDV-NXEZZACHSA-N 0 3 234.303 0.689 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)N1CCOCC1 ZINC000743813913 585139932 /nfs/dbraw/zinc/13/99/32/585139932.db2.gz ZUPKGSJHWQFLSJ-LLVKDONJSA-N 0 3 241.335 0.513 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)N1CCOCC1 ZINC000743813914 585140026 /nfs/dbraw/zinc/14/00/26/585140026.db2.gz ZUPKGSJHWQFLSJ-NSHDSACASA-N 0 3 241.335 0.513 20 0 BCADHN CCNC(=O)CN(C)CCCCCCCO ZINC000743841751 585140380 /nfs/dbraw/zinc/14/03/80/585140380.db2.gz VOOVQVZIIABFAU-UHFFFAOYSA-N 0 3 230.352 0.997 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1ccc[n+]([O-])c1 ZINC000744350849 585149128 /nfs/dbraw/zinc/14/91/28/585149128.db2.gz QKKRTGCIQCJCPU-LLVKDONJSA-N 0 3 249.314 0.534 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)C1=COCCO1 ZINC000744347760 585149488 /nfs/dbraw/zinc/14/94/88/585149488.db2.gz CMQNRIHXFXQGEJ-SNVBAGLBSA-N 0 3 240.303 0.475 20 0 BCADHN CCCN(CC)CC(=O)N1CCO[C@H](C)C1 ZINC000746107269 585163006 /nfs/dbraw/zinc/16/30/06/585163006.db2.gz CUAUJTQUSACEFX-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CN(C)CCNC(=O)COC1(C)CCC1 ZINC000746161734 585163973 /nfs/dbraw/zinc/16/39/73/585163973.db2.gz IGRVWGBRQVZAAW-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CCN(CC)CC(=O)NC(C)(C)CC(=O)OC ZINC000746291874 585167132 /nfs/dbraw/zinc/16/71/32/585167132.db2.gz RNJYAVMHASYKSM-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN CC(C)C[C@H](O)CNC(=S)NCCN(C)C ZINC000746687038 585172195 /nfs/dbraw/zinc/17/21/95/585172195.db2.gz KXEJLVWQMUTVHD-JTQLQIEISA-N 0 3 247.408 0.419 20 0 BCADHN Cn1nncc1CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886818972 585179089 /nfs/dbraw/zinc/17/90/89/585179089.db2.gz MBQUNYAGHDHADO-ZYHUDNBSSA-N 0 3 236.319 0.816 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NCc1ccon1 ZINC000747579709 585181088 /nfs/dbraw/zinc/18/10/88/585181088.db2.gz FINZAVAIXMWOGZ-SNVBAGLBSA-N 0 3 238.291 0.568 20 0 BCADHN CN(C)CCNC(=S)NCc1ccon1 ZINC000747669612 585182228 /nfs/dbraw/zinc/18/22/28/585182228.db2.gz MSFRCFAPVFSVNV-UHFFFAOYSA-N 0 3 228.321 0.200 20 0 BCADHN O=C(CN1CC[C@H]([C@@H]2CCCO2)C1)N1CCC1 ZINC000886834984 585182296 /nfs/dbraw/zinc/18/22/96/585182296.db2.gz GKIQUTAPGBWKAJ-RYUDHWBXSA-N 0 3 238.331 0.720 20 0 BCADHN Cn1ccc(C(=O)N2CCC23CCN(C)CC3)n1 ZINC000748326427 585190704 /nfs/dbraw/zinc/19/07/04/585190704.db2.gz SJVDQAZURAJJDX-UHFFFAOYSA-N 0 3 248.330 0.730 20 0 BCADHN CNC(=S)NC[C@]1(N(C)C)CCSC1 ZINC000748603242 585194387 /nfs/dbraw/zinc/19/43/87/585194387.db2.gz ULTMTPJCAZAKHI-SECBINFHSA-N 0 3 233.406 0.518 20 0 BCADHN CCNC(=S)NC[C@@]1(N(C)C)CCSC1 ZINC000748601432 585194501 /nfs/dbraw/zinc/19/45/01/585194501.db2.gz KCIZAWGBLBTODZ-JTQLQIEISA-N 0 3 247.433 0.908 20 0 BCADHN COCCO[N-]C(=O)CCCC[NH+](C)C ZINC000748767483 585195436 /nfs/dbraw/zinc/19/54/36/585195436.db2.gz LQONJXQNMLTOKN-UHFFFAOYSA-N 0 3 218.297 0.413 20 0 BCADHN C[C@H]1CCCN1CCNc1nccn2nnnc12 ZINC000749146828 585199863 /nfs/dbraw/zinc/19/98/63/585199863.db2.gz OWHBFECTKAENHH-VIFPVBQESA-N 0 3 247.306 0.416 20 0 BCADHN CN(C)CCNC(=S)N(C)C[C@H]1CCOC1 ZINC000749827376 585207119 /nfs/dbraw/zinc/20/71/19/585207119.db2.gz IEVQCZKUENOBJM-SNVBAGLBSA-N 0 3 245.392 0.391 20 0 BCADHN CO[C@@H](C)CC(=O)NCCN1CCCC1 ZINC000749969505 585209177 /nfs/dbraw/zinc/20/91/77/585209177.db2.gz LHMMMNBCVLFXNH-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CCc1cc(CNC(=O)[C@H](C)N(C)C)n[nH]1 ZINC000750611597 585217890 /nfs/dbraw/zinc/21/78/90/585217890.db2.gz LIFHDDMQCXFVEQ-QMMMGPOBSA-N 0 3 224.308 0.538 20 0 BCADHN Cc1ccccc1[C@@H](O)CN1C[C@@H](O)[C@@H](O)C1 ZINC000750836021 585220404 /nfs/dbraw/zinc/22/04/04/585220404.db2.gz AUINZJGJEQKDSY-RWMBFGLXSA-N 0 3 237.299 0.066 20 0 BCADHN Cc1ccccc1[C@H](O)CN1C[C@@H](O)[C@@H](O)C1 ZINC000750836022 585220503 /nfs/dbraw/zinc/22/05/03/585220503.db2.gz AUINZJGJEQKDSY-UPJWGTAASA-N 0 3 237.299 0.066 20 0 BCADHN CCOCCNC(=S)N1CCCN(C)CC1 ZINC000750974059 585222896 /nfs/dbraw/zinc/22/28/96/585222896.db2.gz MNYHISAUFXCMNJ-UHFFFAOYSA-N 0 3 245.392 0.535 20 0 BCADHN CCOCCNC(=S)N[C@@H]1CCCN(C)C1 ZINC000751001882 585223453 /nfs/dbraw/zinc/22/34/53/585223453.db2.gz XNAWMERIPMOACP-SNVBAGLBSA-N 0 3 245.392 0.581 20 0 BCADHN CCOCCNC(=S)N[C@H]1CCN(C)C1 ZINC000751001369 585223538 /nfs/dbraw/zinc/22/35/38/585223538.db2.gz STWLKWFXCCVXII-VIFPVBQESA-N 0 3 231.365 0.191 20 0 BCADHN c1n[nH]cc1CNCCCNc1ncccn1 ZINC000751507127 585231427 /nfs/dbraw/zinc/23/14/27/585231427.db2.gz TVKHZSAZMIGKEQ-UHFFFAOYSA-N 0 3 232.291 0.792 20 0 BCADHN COC(=O)[C@@]1(F)CCN(CC2CCOCC2)C1 ZINC000752083404 585241453 /nfs/dbraw/zinc/24/14/53/585241453.db2.gz MDMILDNXOBCBHT-GFCCVEGCSA-N 0 3 245.294 1.000 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1CN1CCCC1=O ZINC000752812915 585249992 /nfs/dbraw/zinc/24/99/92/585249992.db2.gz PBUCTGXENIVYFM-WDEREUQCSA-N 0 3 226.320 0.802 20 0 BCADHN CCCCCN1C(C)C(=O)N(C)S1(=O)=O ZINC000752877887 585251167 /nfs/dbraw/zinc/25/11/67/585251167.db2.gz FOIBYQRNXVKLHR-MRVPVSSYSA-N 0 3 234.321 0.584 20 0 BCADHN CNC(=O)CCCN(C)C/C=C(/C)C(=O)OC ZINC000753206342 585255193 /nfs/dbraw/zinc/25/51/93/585255193.db2.gz IQHJNSVOSFMWKD-YFHOEESVSA-N 0 3 242.319 0.564 20 0 BCADHN COCCCO[N-]C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000805041283 585257628 /nfs/dbraw/zinc/25/76/28/585257628.db2.gz WNOSASJOFDKYEF-SECBINFHSA-N 0 3 216.281 0.022 20 0 BCADHN COCCCO[N-]C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000805041283 585257629 /nfs/dbraw/zinc/25/76/29/585257629.db2.gz WNOSASJOFDKYEF-SECBINFHSA-N 0 3 216.281 0.022 20 0 BCADHN CON(C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000753534209 585260969 /nfs/dbraw/zinc/26/09/69/585260969.db2.gz XNZZOMRPMDUHDW-DTWKUNHWSA-N 0 3 215.297 0.672 20 0 BCADHN CON(C)C(=O)NCC1(N(C)C)CCC1 ZINC000753664366 585265792 /nfs/dbraw/zinc/26/57/92/585265792.db2.gz MTSRSQOIDOGTGF-UHFFFAOYSA-N 0 3 215.297 0.674 20 0 BCADHN CCONC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000753800130 585269250 /nfs/dbraw/zinc/26/92/50/585269250.db2.gz BFIPXMCBNWYCAZ-QMMMGPOBSA-N 0 3 213.281 0.474 20 0 BCADHN CNC(=S)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000753963988 585273674 /nfs/dbraw/zinc/27/36/74/585273674.db2.gz RFEHXDODVSJMLN-HTQZYQBOSA-N 0 3 213.350 0.706 20 0 BCADHN C[C@@H]1CN(Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC000754097508 585278429 /nfs/dbraw/zinc/27/84/29/585278429.db2.gz OTTQPFYLMIGWGP-ZYHUDNBSSA-N 0 3 235.331 0.960 20 0 BCADHN CCOC(=O)CCN(C)CC[C@@H]1CCOC1=O ZINC000754177758 585279738 /nfs/dbraw/zinc/27/97/38/585279738.db2.gz BZBRCEGYSJDUEG-SNVBAGLBSA-N 0 3 243.303 0.825 20 0 BCADHN C[C@@H]1COCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000754233274 585280734 /nfs/dbraw/zinc/28/07/34/585280734.db2.gz KNJXWANGQYOFCY-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCC1(C(=O)NCCN(C)C2CC2)COC1 ZINC000755233208 585296588 /nfs/dbraw/zinc/29/65/88/585296588.db2.gz PJLXUHFGCKPZSX-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CCC1(C(=O)N2CCC[C@@H](N(C)C)C2)COC1 ZINC000755301808 585297298 /nfs/dbraw/zinc/29/72/98/585297298.db2.gz MEUPLNUKQOSAEA-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C)CCNC(=S)N(C)[C@@H]1CCSC1 ZINC000755404221 585299030 /nfs/dbraw/zinc/29/90/30/585299030.db2.gz WWEVDPUQEWERGR-SECBINFHSA-N 0 3 247.433 0.860 20 0 BCADHN CCC1(C(=O)NCCN2CC[C@@H](C)C2)COC1 ZINC000755429100 585299432 /nfs/dbraw/zinc/29/94/32/585299432.db2.gz JTZXKGOPKGRSBY-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN CC[C@@H](CCO)CNC(=S)NCCN(C)C ZINC000755709788 585304466 /nfs/dbraw/zinc/30/44/66/585304466.db2.gz TWHLLWLXXMRXAS-JTQLQIEISA-N 0 3 247.408 0.421 20 0 BCADHN Cc1cc(N[C@@H](CO)c2cnn(C)c2)nc(N)n1 ZINC000756955050 585325633 /nfs/dbraw/zinc/32/56/33/585325633.db2.gz HXXJAMZUNAZYBB-VIFPVBQESA-N 0 3 248.290 0.246 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CCO)C1CC1)N(C)C ZINC000757091568 585327368 /nfs/dbraw/zinc/32/73/68/585327368.db2.gz WCXUZTSELQPLBD-WDEREUQCSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@@H](C(=O)N[C@H](CCO)C1CC1)N(C)C ZINC000757091566 585328157 /nfs/dbraw/zinc/32/81/57/585328157.db2.gz WCXUZTSELQPLBD-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN Cc1nc([C@@H](C)N2CCN(C)[C@H](C)C2)n[nH]1 ZINC000839533335 585329073 /nfs/dbraw/zinc/32/90/73/585329073.db2.gz HOLLBSOPBPLDMK-RKDXNWHRSA-N 0 3 223.324 0.810 20 0 BCADHN C[C@@H]1CCCCN1C(=O)CN[C@H](CO)C1CC1 ZINC000839554909 585329719 /nfs/dbraw/zinc/32/97/19/585329719.db2.gz FSEKIZBGEYJEDR-ZYHUDNBSSA-N 0 3 240.347 0.748 20 0 BCADHN CC(=O)CCN(C[C@@H]1CCC(=O)N1)C(C)C ZINC000839670756 585336468 /nfs/dbraw/zinc/33/64/68/585336468.db2.gz NKPUGSRLWYCPFI-NSHDSACASA-N 0 3 226.320 0.955 20 0 BCADHN C[C@H]1[C@H](CO)CCCN1CC1OCCO1 ZINC000839676914 585336647 /nfs/dbraw/zinc/33/66/47/585336647.db2.gz ZEOFGTBPYZVEPM-UWVGGRQHSA-N 0 3 215.293 0.452 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](C)OC1=O)N(C)C ZINC000839772428 585340773 /nfs/dbraw/zinc/34/07/73/585340773.db2.gz VLBKTKVPPPWMLT-UTLUCORTSA-N 0 3 242.319 0.393 20 0 BCADHN C[C@@H](CCO)NCc1ccc2c(c1)C(=O)NCC2 ZINC000757661041 585343881 /nfs/dbraw/zinc/34/38/81/585343881.db2.gz MGQPFXZTFJFICR-JTQLQIEISA-N 0 3 248.326 0.833 20 0 BCADHN COC(=O)c1coc(CN[C@@H](CO)C2CC2)c1 ZINC000757848926 585345970 /nfs/dbraw/zinc/34/59/70/585345970.db2.gz YQVNBKZCLFXPOX-NSHDSACASA-N 0 3 239.271 0.927 20 0 BCADHN CCCCCC[C@H](O)CN1C[C@@H](O)[C@@H](O)C1 ZINC000759378623 585371599 /nfs/dbraw/zinc/37/15/99/585371599.db2.gz HNFAVMBAQAFFSC-SDDRHHMPSA-N 0 3 231.336 0.355 20 0 BCADHN COC(=O)/C(C)=C\CN(C)C1CC(O)C1 ZINC000759874213 585382275 /nfs/dbraw/zinc/38/22/75/585382275.db2.gz XYAPIMOSDDMWCW-YWEYNIOJSA-N 0 3 213.277 0.561 20 0 BCADHN c1nnc2n1CCN(CCN1CCCC1)C2 ZINC000760834034 585398561 /nfs/dbraw/zinc/39/85/61/585398561.db2.gz WTIKOOFCVVQPRG-UHFFFAOYSA-N 0 3 221.308 0.190 20 0 BCADHN C[C@H]1CN(CC[C@H]2CCOC2=O)CCN1C ZINC000761069290 585404301 /nfs/dbraw/zinc/40/43/01/585404301.db2.gz JRMNDHHXLRANFQ-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@H]1CN(CCN2CCCC2=O)CCN1C ZINC000761074327 585405210 /nfs/dbraw/zinc/40/52/10/585405210.db2.gz BNZIFBAUCLZOPX-NSHDSACASA-N 0 3 225.336 0.245 20 0 BCADHN C[C@H]1CN(CCOC[C@H]2CCCO2)CCN1C ZINC000761073568 585405299 /nfs/dbraw/zinc/40/52/99/585405299.db2.gz WRWFULNOZWWJGW-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H]1CN(Cc2ccn(C)c(=O)c2)CCN1C ZINC000761081434 585406982 /nfs/dbraw/zinc/40/69/82/585406982.db2.gz YWOWJMCHBWSHAQ-NSHDSACASA-N 0 3 235.331 0.521 20 0 BCADHN COCC1(N(C)CCCN2CCOC2=O)CC1 ZINC000761103549 585409460 /nfs/dbraw/zinc/40/94/60/585409460.db2.gz ZYYWHSFODJLDQX-UHFFFAOYSA-N 0 3 242.319 0.940 20 0 BCADHN C[C@@H](CN1C(=O)N[C@@H](C)C1=O)N1CCCCC1 ZINC000761122529 585410707 /nfs/dbraw/zinc/41/07/07/585410707.db2.gz NVRSFLFAKYQKDD-UWVGGRQHSA-N 0 3 239.319 0.801 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](O)CC(C)C ZINC000762479241 585432944 /nfs/dbraw/zinc/43/29/44/585432944.db2.gz BDJHYGNZHULWNR-LLVKDONJSA-N 0 3 230.352 0.851 20 0 BCADHN C[C@@H](CC(=O)NC[C@@]1(O)CCN(C)C1)C1CC1 ZINC000762716810 585435937 /nfs/dbraw/zinc/43/59/37/585435937.db2.gz KLMITIGQKVYITD-GWCFXTLKSA-N 0 3 240.347 0.605 20 0 BCADHN C/C=C(\C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000762722567 585436247 /nfs/dbraw/zinc/43/62/47/585436247.db2.gz RYIGHTKSEJSGID-VCFDLTMXSA-N 0 3 212.293 0.135 20 0 BCADHN C/C(=C/C(=O)NC[C@]1(O)CCN(C)C1)C1CC1 ZINC000762722037 585436277 /nfs/dbraw/zinc/43/62/77/585436277.db2.gz JCFPDUHSIGUGND-PGJNLMOESA-N 0 3 238.331 0.526 20 0 BCADHN CS/C=C\C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000762720993 585436310 /nfs/dbraw/zinc/43/63/10/585436310.db2.gz FOKGKUOZAPRSRZ-NWPZZWLHSA-N 0 3 230.333 0.046 20 0 BCADHN C/C(=C\C(=O)NC[C@@]1(O)CCN(C)C1)C1CC1 ZINC000762722038 585436313 /nfs/dbraw/zinc/43/63/13/585436313.db2.gz JCFPDUHSIGUGND-RSPDNQDQSA-N 0 3 238.331 0.526 20 0 BCADHN CCN(CCCn1ccnc1C)CC(=O)NC ZINC000762916210 585439330 /nfs/dbraw/zinc/43/93/30/585439330.db2.gz GHTFBRIMJMJRRX-UHFFFAOYSA-N 0 3 238.335 0.650 20 0 BCADHN CN(C)C1(C(=O)N2CCOCC2)CCC1 ZINC000762963934 585440158 /nfs/dbraw/zinc/44/01/58/585440158.db2.gz GZCJUMQOXLRDLN-UHFFFAOYSA-N 0 3 212.293 0.330 20 0 BCADHN CCOC(=O)CCNC(=O)C1(N(C)C)CCC1 ZINC000762977414 585440732 /nfs/dbraw/zinc/44/07/32/585440732.db2.gz CSPKNBKXZHUOHX-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN CCOC(=O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC000762980144 585440958 /nfs/dbraw/zinc/44/09/58/585440958.db2.gz WJMXLLOPQYXDRO-UHFFFAOYSA-N 0 3 242.319 0.492 20 0 BCADHN CN(C)C1(C(=O)NCc2cnn(C)c2)CCC1 ZINC000763028399 585441590 /nfs/dbraw/zinc/44/15/90/585441590.db2.gz HPYUOEZMCWNOIX-UHFFFAOYSA-N 0 3 236.319 0.521 20 0 BCADHN CN(C)C1(C(=O)NC[C@@H]2COCCO2)CCC1 ZINC000763023407 585441745 /nfs/dbraw/zinc/44/17/45/585441745.db2.gz ADVWICJXKUFEPU-SNVBAGLBSA-N 0 3 242.319 0.002 20 0 BCADHN CN(C)C1(C(=O)NCCN(C)C2CC2)CCC1 ZINC000763031298 585441949 /nfs/dbraw/zinc/44/19/49/585441949.db2.gz TYLQOAOCSLMCKF-UHFFFAOYSA-N 0 3 239.363 0.681 20 0 BCADHN CN(C)C1(C(=O)NCc2c[nH]cn2)CCC1 ZINC000763052979 585442432 /nfs/dbraw/zinc/44/24/32/585442432.db2.gz QTXPSEXEJLJOJR-UHFFFAOYSA-N 0 3 222.292 0.510 20 0 BCADHN CN(C)C1(C(=O)NCc2cnc[nH]2)CCC1 ZINC000763052979 585442433 /nfs/dbraw/zinc/44/24/33/585442433.db2.gz QTXPSEXEJLJOJR-UHFFFAOYSA-N 0 3 222.292 0.510 20 0 BCADHN C[C@H]1CCCN(C(=O)CN[C@H](CO)C2CC2)C1 ZINC000763071358 585442708 /nfs/dbraw/zinc/44/27/08/585442708.db2.gz RQUVKPGUKYHLAA-CMPLNLGQSA-N 0 3 240.347 0.605 20 0 BCADHN CN(C)C1(C(=O)N(C)C[C@@H](O)C2CC2)CCC1 ZINC000763068241 585442747 /nfs/dbraw/zinc/44/27/47/585442747.db2.gz JENZATYTYZMWFR-LLVKDONJSA-N 0 3 240.347 0.700 20 0 BCADHN O=C1O[C@H](CN2CCC[C@H](CO)C2)CC12CC2 ZINC000763659572 585451688 /nfs/dbraw/zinc/45/16/88/585451688.db2.gz IJZXPCNNTOVQJL-QWRGUYRKSA-N 0 3 239.315 0.786 20 0 BCADHN CN(C[C@H]1CC2(CC2)C(=O)O1)[C@H]1CCOC1 ZINC000763690427 585452254 /nfs/dbraw/zinc/45/22/54/585452254.db2.gz KUKZQOLFNQKDSV-VHSXEESVSA-N 0 3 225.288 0.803 20 0 BCADHN O=C1O[C@@H](CN(CCCO)C2CC2)CC12CC2 ZINC000763684827 585452408 /nfs/dbraw/zinc/45/24/08/585452408.db2.gz CUMJQYWFSDWJLU-LLVKDONJSA-N 0 3 239.315 0.929 20 0 BCADHN O=C1O[C@@H](CN2CCC[C@H]2CO)CC12CC2 ZINC000763677055 585452504 /nfs/dbraw/zinc/45/25/04/585452504.db2.gz XGXVQDRTWCESTG-VHSXEESVSA-N 0 3 225.288 0.539 20 0 BCADHN CN(C[C@@H]1CC2(CC2)C(=O)O1)[C@@H]1CCOC1 ZINC000763690428 585452583 /nfs/dbraw/zinc/45/25/83/585452583.db2.gz KUKZQOLFNQKDSV-ZJUUUORDSA-N 0 3 225.288 0.803 20 0 BCADHN C[C@H]1CN(C[C@H]2CC3(CC3)C(=O)O2)CCN1C ZINC000763743224 585453443 /nfs/dbraw/zinc/45/34/43/585453443.db2.gz ZDNLCQRFRGJISI-WDEREUQCSA-N 0 3 238.331 0.718 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C[C@H]1CC2(CC2)C(=O)O1 ZINC000763734696 585453452 /nfs/dbraw/zinc/45/34/52/585453452.db2.gz GNEHQBLFHXAOLD-KXUCPTDWSA-N 0 3 225.288 0.537 20 0 BCADHN CN(C[C@H]1CC2(CC2)C(=O)O1)CC1(O)CCC1 ZINC000763755448 585453880 /nfs/dbraw/zinc/45/38/80/585453880.db2.gz PYRSGPZDUDQMKN-SNVBAGLBSA-N 0 3 239.315 0.929 20 0 BCADHN C[C@H](CNC(=O)N[C@@H](C)CO)N1CCCCC1 ZINC000764213123 585461500 /nfs/dbraw/zinc/46/15/00/585461500.db2.gz RWKQTLLHKMUDPA-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@H](O)C(C)(C)C ZINC000764636168 585469712 /nfs/dbraw/zinc/46/97/12/585469712.db2.gz MIKWEPLCBYTBHL-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN O=C(NCCN1CCCC1)[C@@H](O)c1cccnc1 ZINC000764638323 585469805 /nfs/dbraw/zinc/46/98/05/585469805.db2.gz YSGATCIEBBMGOI-LBPRGKRZSA-N 0 3 249.314 0.327 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)[C@H](O)C(C)(C)C ZINC000764975461 585478223 /nfs/dbraw/zinc/47/82/23/585478223.db2.gz XCBCAQHXGKTYMY-MNOVXSKESA-N 0 3 242.363 0.946 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@H](O)C(C)(C)C)C1 ZINC000765011291 585479309 /nfs/dbraw/zinc/47/93/09/585479309.db2.gz MUSUQRVWXDRVAI-QWRGUYRKSA-N 0 3 242.363 0.851 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@@H](O)C(C)(C)C)C1 ZINC000765011283 585479350 /nfs/dbraw/zinc/47/93/50/585479350.db2.gz MUSUQRVWXDRVAI-GHMZBOCLSA-N 0 3 242.363 0.851 20 0 BCADHN CC1(C)CN(C(=O)[C@H](O)c2cccnc2)CCN1 ZINC000765133391 585481810 /nfs/dbraw/zinc/48/18/10/585481810.db2.gz DQJWRYJUZRJEQB-LLVKDONJSA-N 0 3 249.314 0.325 20 0 BCADHN CC[C@@H](C(=O)N1CC(O)(C(C)C)C1)N(C)C ZINC000765565766 585490129 /nfs/dbraw/zinc/49/01/29/585490129.db2.gz MKFQXZQHRGZYQR-JTQLQIEISA-N 0 3 228.336 0.556 20 0 BCADHN CN(CC1(O)CCCC1)[C@@H]1CCC(=O)NC1=O ZINC000765962343 585494492 /nfs/dbraw/zinc/49/44/92/585494492.db2.gz GQBAYETUBIMBAZ-SECBINFHSA-N 0 3 240.303 0.029 20 0 BCADHN C[C@@H]1CCCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000765960374 585494704 /nfs/dbraw/zinc/49/47/04/585494704.db2.gz NTVMTTHAERQRKK-RKDXNWHRSA-N 0 3 210.277 0.524 20 0 BCADHN CC1CCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC000765958340 585494750 /nfs/dbraw/zinc/49/47/50/585494750.db2.gz KSFHOCRVTFJNLF-SECBINFHSA-N 0 3 210.277 0.524 20 0 BCADHN C[C@@H]1CCOCCN1CCc1cn(C)nn1 ZINC000859236261 589023651 /nfs/dbraw/zinc/02/36/51/589023651.db2.gz DJIZTGJOGRWCRC-SNVBAGLBSA-N 0 3 224.308 0.468 20 0 BCADHN CN(C)CCNC(=S)N1CCC[C@@](C)(O)C1 ZINC000766710407 585506058 /nfs/dbraw/zinc/50/60/58/585506058.db2.gz AWGVWRJCZXRLQT-LLVKDONJSA-N 0 3 245.392 0.269 20 0 BCADHN O=C(CCN(CCO)CCCO)C1CC1 ZINC000767373894 585518628 /nfs/dbraw/zinc/51/86/28/585518628.db2.gz DQJOECIFQSQSTA-UHFFFAOYSA-N 0 3 215.293 0.032 20 0 BCADHN c1ncc(CN2CCC3(CC2)OCCO3)cn1 ZINC000768240234 585534515 /nfs/dbraw/zinc/53/45/15/585534515.db2.gz QQWJBZPTWWHEBL-UHFFFAOYSA-N 0 3 235.287 0.816 20 0 BCADHN CCN(CC(=O)NC)C[C@@H]1CCCOC1 ZINC000768536103 585539800 /nfs/dbraw/zinc/53/98/00/585539800.db2.gz RWUYWDRWRREHDX-JTQLQIEISA-N 0 3 214.309 0.481 20 0 BCADHN C[C@H](Cn1cccn1)NC[C@H](O)c1cnn(C)c1 ZINC000768698511 585542080 /nfs/dbraw/zinc/54/20/80/585542080.db2.gz SKIPOSSTSNXVFP-PWSUYJOCSA-N 0 3 249.318 0.328 20 0 BCADHN Cc1nn(C)c(C)c1CN1C[C@@H](C)[C@H](O)C1 ZINC000768764930 585542585 /nfs/dbraw/zinc/54/25/85/585542585.db2.gz BPIBYUQDQHJWGX-PRHODGIISA-N 0 3 223.320 0.850 20 0 BCADHN C[C@H]1CN(CCN2CCOC2=O)[C@@H](C)CN1C ZINC000768763023 585542786 /nfs/dbraw/zinc/54/27/86/585542786.db2.gz GBYNVOYBQVFZIZ-QWRGUYRKSA-N 0 3 241.335 0.463 20 0 BCADHN C[C@@H]1CN(CCN2CCOC2=O)[C@H](C)CN1C ZINC000768763018 585542814 /nfs/dbraw/zinc/54/28/14/585542814.db2.gz GBYNVOYBQVFZIZ-GHMZBOCLSA-N 0 3 241.335 0.463 20 0 BCADHN C[C@H]1CN(CCNC(=O)OC(C)(C)C)C[C@@H]1O ZINC000768768327 585542883 /nfs/dbraw/zinc/54/28/83/585542883.db2.gz JGHHDHGCNMJXPK-UWVGGRQHSA-N 0 3 244.335 0.824 20 0 BCADHN C[C@@H]1CN(CC[C@H]2CCOC2=O)[C@H](C)CN1C ZINC000768766594 585542922 /nfs/dbraw/zinc/54/29/22/585542922.db2.gz YYIQBRBTTWLLFZ-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(CCO)CCNC(=O)N1CCCC1 ZINC000768958173 585546838 /nfs/dbraw/zinc/54/68/38/585546838.db2.gz QMIUUKHLXDNAQS-UHFFFAOYSA-N 0 3 229.324 0.106 20 0 BCADHN CC(C)(F)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000769011138 585547483 /nfs/dbraw/zinc/54/74/83/585547483.db2.gz GMXVYMOOJKZZRU-JTQLQIEISA-N 0 3 246.326 0.698 20 0 BCADHN c1n[nH]c2c1CCN(Cc1cncnc1)C2 ZINC000769468951 585557810 /nfs/dbraw/zinc/55/78/10/585557810.db2.gz QRURCHVRGBDZEF-UHFFFAOYSA-N 0 3 215.260 0.758 20 0 BCADHN C[C@H](CNC(=O)CC1COC1)N(C)C1CC1 ZINC000769703368 585562084 /nfs/dbraw/zinc/56/20/84/585562084.db2.gz MBKXLXWCNOMCOH-SECBINFHSA-N 0 3 226.320 0.622 20 0 BCADHN CN(C(=O)CC1COC1)[C@H]1CCCN(C)C1 ZINC000769713739 585562394 /nfs/dbraw/zinc/56/23/94/585562394.db2.gz BXBFZYONWVHYGU-NSHDSACASA-N 0 3 226.320 0.576 20 0 BCADHN CCC[C@@]1(CO)CCCN1CC1OCCO1 ZINC000769914157 585566200 /nfs/dbraw/zinc/56/62/00/585566200.db2.gz VHKVSNYLUSFFBG-LBPRGKRZSA-N 0 3 229.320 0.986 20 0 BCADHN CCOC(=O)N1CC[C@H](NCc2cn[nH]c2)C1 ZINC000769934888 585566684 /nfs/dbraw/zinc/56/66/84/585566684.db2.gz IFBCHFJEYCMOIW-JTQLQIEISA-N 0 3 238.291 0.730 20 0 BCADHN CN(C)C1(C(=O)NCc2ncccn2)CCC1 ZINC000770057666 585570507 /nfs/dbraw/zinc/57/05/07/585570507.db2.gz IRARQNCTZFXJFL-UHFFFAOYSA-N 0 3 234.303 0.577 20 0 BCADHN NC(=O)C1(C(=O)OCCN2CCCCC2)CC1 ZINC000770369132 585573311 /nfs/dbraw/zinc/57/33/11/585573311.db2.gz MSUXDLGRKJFLMB-UHFFFAOYSA-N 0 3 240.303 0.281 20 0 BCADHN O=C(OCCN1CCCCC1)[C@@H](O)C1CC1 ZINC000770374041 585573403 /nfs/dbraw/zinc/57/34/03/585573403.db2.gz VRSQAGKBZNAAKB-NSHDSACASA-N 0 3 227.304 0.786 20 0 BCADHN CC(CO)(CO)C(=O)OCCN1CCCCC1 ZINC000770409758 585573702 /nfs/dbraw/zinc/57/37/02/585573702.db2.gz GIFZMFRTGQVISE-UHFFFAOYSA-N 0 3 245.319 0.006 20 0 BCADHN COC(CN(CCCO)C[C@H]1C[C@@H]1C)OC ZINC000859244774 589023431 /nfs/dbraw/zinc/02/34/31/589023431.db2.gz OMXDLBDNOSZWLM-WDEREUQCSA-N 0 3 231.336 0.946 20 0 BCADHN c1nc2n(n1)CCN(CCN1CCCC1)C2 ZINC000770685178 585579728 /nfs/dbraw/zinc/57/97/28/585579728.db2.gz BJJQNVCDBSZUCG-UHFFFAOYSA-N 0 3 221.308 0.190 20 0 BCADHN C[C@@H]1[C@@H](C)N(CC[C@H]2CCOC2=O)CCN1C ZINC000771462680 585594525 /nfs/dbraw/zinc/59/45/25/585594525.db2.gz WFGUEOYLHCMQEQ-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN O=C(CN[C@@H](CO)C1CC1)NCc1ccccn1 ZINC000771808974 585600598 /nfs/dbraw/zinc/60/05/98/585600598.db2.gz PSTVKUGEOGTTBY-LBPRGKRZSA-N 0 3 249.314 0.058 20 0 BCADHN CCN(CC)CC(=O)N[C@@](C)(CO)C1CC1 ZINC000771815568 585600930 /nfs/dbraw/zinc/60/09/30/585600930.db2.gz PGHHOVMRVAPYTO-LBPRGKRZSA-N 0 3 228.336 0.605 20 0 BCADHN CNC(=O)c1cccc(CN[C@H](CO)C2CC2)c1 ZINC000771812517 585600996 /nfs/dbraw/zinc/60/09/96/585600996.db2.gz IYKSQTIYQSHYDD-CYBMUJFWSA-N 0 3 248.326 0.907 20 0 BCADHN NC(=O)[C@@H]1CCCN(Cc2ccoc2)C1 ZINC000771934116 585604073 /nfs/dbraw/zinc/60/40/73/585604073.db2.gz WKRHMAZWGNYJRO-SNVBAGLBSA-N 0 3 208.261 0.977 20 0 BCADHN CCN(CC)CCOC(=O)CNC(=O)C1CC1 ZINC000771990155 585606003 /nfs/dbraw/zinc/60/60/03/585606003.db2.gz BBTPIJFLIHKETG-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN CCOCCN(C)CCCN1CCOC1=O ZINC000772383681 585614010 /nfs/dbraw/zinc/61/40/10/585614010.db2.gz IRXIDCOGAQDBQY-UHFFFAOYSA-N 0 3 230.308 0.797 20 0 BCADHN Cc1ccc(COC(=O)C2CCN(C)C2=O)nc1 ZINC000772517336 585617291 /nfs/dbraw/zinc/61/72/91/585617291.db2.gz HNVBCZWMLKEOLD-LLVKDONJSA-N 0 3 248.282 0.912 20 0 BCADHN Cc1ccncc1COC(=O)C1CCN(C)C1=O ZINC000772532541 585617697 /nfs/dbraw/zinc/61/76/97/585617697.db2.gz QHGJYKBBTCUNCH-NSHDSACASA-N 0 3 248.282 0.912 20 0 BCADHN CC(C)(C)CNC(=O)CN[C@H](CCO)C1CC1 ZINC000859250406 589023839 /nfs/dbraw/zinc/02/38/39/589023839.db2.gz JPHQJOSDGBIAKG-LLVKDONJSA-N 0 3 242.363 0.899 20 0 BCADHN COC(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000772844428 585625201 /nfs/dbraw/zinc/62/52/01/585625201.db2.gz HAXJRFABORVSRY-SFYZADRCSA-N 0 3 218.322 0.730 20 0 BCADHN CN(C)CCN(C(=O)c1cnsn1)C1CC1 ZINC000773111221 585631563 /nfs/dbraw/zinc/63/15/63/585631563.db2.gz LWGYWIMJNZRLRE-UHFFFAOYSA-N 0 3 240.332 0.704 20 0 BCADHN CO[C@H](C)C(=N)NOCc1nnc(C)s1 ZINC000773178294 585633341 /nfs/dbraw/zinc/63/33/41/585633341.db2.gz YYLXBPFLWDIGLN-RXMQYKEDSA-N 0 3 230.293 0.880 20 0 BCADHN CCN(CC)CC(=O)NCCN1CCC[C@@H]1C ZINC000773195338 585633489 /nfs/dbraw/zinc/63/34/89/585633489.db2.gz XAYGVXRGHBSCLD-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN Cn1cccc1C(=O)NOC1CCN(C)CC1 ZINC000773531804 585639432 /nfs/dbraw/zinc/63/94/32/585639432.db2.gz GQBBKRNNAMBWRY-UHFFFAOYSA-N 0 3 237.303 0.781 20 0 BCADHN CCCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000773539915 585639812 /nfs/dbraw/zinc/63/98/12/585639812.db2.gz ALHKCDIBSAQKMT-UHFFFAOYSA-N 0 3 200.282 0.929 20 0 BCADHN CN1CCC(ONC(=O)c2ccon2)CC1 ZINC000773550347 585640244 /nfs/dbraw/zinc/64/02/44/585640244.db2.gz CPMSBJLBQQPBMO-UHFFFAOYSA-N 0 3 225.248 0.430 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCCC12OCCO2 ZINC000773690380 585642367 /nfs/dbraw/zinc/64/23/67/585642367.db2.gz LVSJHMLVALRNJY-SNVBAGLBSA-N 0 3 242.319 0.207 20 0 BCADHN CCCOCCOC(=O)C1CCN(C)C1=O ZINC000774079995 585649863 /nfs/dbraw/zinc/64/98/63/585649863.db2.gz VNIVNAXRMTZLLZ-VIFPVBQESA-N 0 3 229.276 0.435 20 0 BCADHN CCOCCCCOC(=O)C1CCN(C)C1=O ZINC000774100986 585650442 /nfs/dbraw/zinc/65/04/42/585650442.db2.gz CPKXHOPREBZBMR-JTQLQIEISA-N 0 3 243.303 0.825 20 0 BCADHN CON(C)C(=O)CN(C)C1CCCC1 ZINC000774546379 585660821 /nfs/dbraw/zinc/66/08/21/585660821.db2.gz HBZFPLMAIPSUBM-UHFFFAOYSA-N 0 3 200.282 0.881 20 0 BCADHN CC[C@@H]1CCCN1CC(=O)N(C)OC ZINC000774607930 585661965 /nfs/dbraw/zinc/66/19/65/585661965.db2.gz MBFZDAKUOOZWMH-SECBINFHSA-N 0 3 200.282 0.881 20 0 BCADHN CON(C)C(=O)CN1CC[C@@H](C)[C@@H]1C ZINC000774645058 585662480 /nfs/dbraw/zinc/66/24/80/585662480.db2.gz JQTUFYZGAALVBK-BDAKNGLRSA-N 0 3 200.282 0.737 20 0 BCADHN CON(C)C(=O)CN1CCC2(C1)CCOCC2 ZINC000774640441 585662555 /nfs/dbraw/zinc/66/25/55/585662555.db2.gz TYUUOIHEELHULE-UHFFFAOYSA-N 0 3 242.319 0.509 20 0 BCADHN CON(C)C(=O)CN1CC[C@H](C2CC2)C1 ZINC000774763447 585665352 /nfs/dbraw/zinc/66/53/52/585665352.db2.gz LGBLEEQVOFKRQS-JTQLQIEISA-N 0 3 212.293 0.738 20 0 BCADHN OC[C@]12C[C@H]1CN(C[C@H]1CCC=CO1)C2 ZINC000775098264 585672257 /nfs/dbraw/zinc/67/22/57/585672257.db2.gz SSFCAPVKANAZIM-QJPTWQEYSA-N 0 3 209.289 0.993 20 0 BCADHN OC[C@]12C[C@H]1CN(C[C@@H]1CCC=CO1)C2 ZINC000775098265 585672296 /nfs/dbraw/zinc/67/22/96/585672296.db2.gz SSFCAPVKANAZIM-SDDRHHMPSA-N 0 3 209.289 0.993 20 0 BCADHN C[C@@]1(N[C@@H]2CCCS(=O)(=O)C2)CCCOC1 ZINC000775400757 585677659 /nfs/dbraw/zinc/67/76/59/585677659.db2.gz LSFKWYWKFGXHJP-GHMZBOCLSA-N 0 3 247.360 0.722 20 0 BCADHN CCCN(CCO)C(=O)C1(N(C)C)CCC1 ZINC000775524040 585678885 /nfs/dbraw/zinc/67/88/85/585678885.db2.gz BUXFRLJWNKZVBY-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN COC1(C)CCN(CCN2CCOC2=O)CC1 ZINC000775556008 585679409 /nfs/dbraw/zinc/67/94/09/585679409.db2.gz BLIRSBNKOHNUJK-UHFFFAOYSA-N 0 3 242.319 0.940 20 0 BCADHN CCOC[C@@H](O)CN1CCOCC[C@H]1C ZINC000775569260 585680363 /nfs/dbraw/zinc/68/03/63/585680363.db2.gz CHWLAHYPXVTKTF-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN C[C@H]1CCOCCN1C(=O)C1CCN(C)CC1 ZINC000775598658 585681438 /nfs/dbraw/zinc/68/14/38/585681438.db2.gz ZPEYCMBIIWOQET-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN COC(=O)c1ccc(CN[C@H](CO)C2CC2)o1 ZINC000776177161 585691648 /nfs/dbraw/zinc/69/16/48/585691648.db2.gz JYJXDCZLONRNEC-SNVBAGLBSA-N 0 3 239.271 0.927 20 0 BCADHN CN(C)CCNC(=S)NCCCCCCO ZINC000776194068 585692381 /nfs/dbraw/zinc/69/23/81/585692381.db2.gz GWBLVCMBKZIHNK-UHFFFAOYSA-N 0 3 247.408 0.565 20 0 BCADHN C[C@H]1C[C@H](C)N(CN2CC(=O)N(C)C2=O)C1 ZINC000776199765 585692657 /nfs/dbraw/zinc/69/26/57/585692657.db2.gz BNTPKEUXVHYRDN-IUCAKERBSA-N 0 3 225.292 0.568 20 0 BCADHN CCONC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000776210819 585693177 /nfs/dbraw/zinc/69/31/77/585693177.db2.gz VMEYSCASLLJZIM-JTQLQIEISA-N 0 3 227.308 0.816 20 0 BCADHN Cc1nsc(C(=O)NC[C@@H]2CCN(C)C2)n1 ZINC000776424095 585698629 /nfs/dbraw/zinc/69/86/29/585698629.db2.gz YTSDEQXOQCUXDS-QMMMGPOBSA-N 0 3 240.332 0.528 20 0 BCADHN Cn1c(CO)nnc1SCCN1CCCC1 ZINC000776432862 585698773 /nfs/dbraw/zinc/69/87/73/585698773.db2.gz HNEXLJSWXPSQCW-UHFFFAOYSA-N 0 3 242.348 0.495 20 0 BCADHN c1nncn1CN1CCC[C@H](C2OCCO2)C1 ZINC000776759378 585704100 /nfs/dbraw/zinc/70/41/00/585704100.db2.gz MSEMOHGGBWRZQA-JTQLQIEISA-N 0 3 238.291 0.321 20 0 BCADHN c1nncn1CN1CCN(C2CCCC2)CC1 ZINC000776756991 585704207 /nfs/dbraw/zinc/70/42/07/585704207.db2.gz VKDSXDIYPHIRKE-UHFFFAOYSA-N 0 3 235.335 0.796 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1Cn1cnnc1 ZINC000776760574 585704594 /nfs/dbraw/zinc/70/45/94/585704594.db2.gz UFLVJTRLMUWTFA-LLVKDONJSA-N 0 3 223.324 0.508 20 0 BCADHN CN(CC1CCOCC1)Cn1cnnc1 ZINC000776762572 585704616 /nfs/dbraw/zinc/70/46/16/585704616.db2.gz NEINYNPWRBSILC-UHFFFAOYSA-N 0 3 210.281 0.594 20 0 BCADHN C(C1CC1)N1CCN(CC2OCCO2)CC1 ZINC000777558854 585715095 /nfs/dbraw/zinc/71/50/95/585715095.db2.gz MSQNYGQNTYCQSK-UHFFFAOYSA-N 0 3 226.320 0.387 20 0 BCADHN OCCN(CCO)Cc1ccc(CF)cc1 ZINC000777577031 585715517 /nfs/dbraw/zinc/71/55/17/585715517.db2.gz AFDWNYGDSQXCKD-UHFFFAOYSA-N 0 3 227.279 0.943 20 0 BCADHN CC[C@@](C)(CO)N[C@H]1CCCS(=O)(=O)C1 ZINC000777569322 585715565 /nfs/dbraw/zinc/71/55/65/585715565.db2.gz HTMRJVDFOQGCDS-UWVGGRQHSA-N 0 3 235.349 0.314 20 0 BCADHN CN1CCC[C@H](N2C(=O)NC(C)(C)C2=O)C1 ZINC000777621449 585717118 /nfs/dbraw/zinc/71/71/18/585717118.db2.gz YUHLXARCPMPAFT-QMMMGPOBSA-N 0 3 225.292 0.411 20 0 BCADHN CCC[C@H]1NC(=O)N([C@H]2CCCN(C)C2)C1=O ZINC000777621136 585717351 /nfs/dbraw/zinc/71/73/51/585717351.db2.gz VTQSSJLAOGDOBY-VHSXEESVSA-N 0 3 239.319 0.801 20 0 BCADHN O=C1[C@@H]2CCCN2C(=O)N1[C@H]1CCN(C2CC2)C1 ZINC000777625127 585717518 /nfs/dbraw/zinc/71/75/18/585717518.db2.gz GCQCVTXNPVWZPR-QWRGUYRKSA-N 0 3 249.314 0.650 20 0 BCADHN C[C@@H]1NC(=O)N([C@H]2CCN(C3CC3)C2)C1=O ZINC000777626109 585717572 /nfs/dbraw/zinc/71/75/72/585717572.db2.gz ODQJNRIGCZKYCI-CBAPKCEASA-N 0 3 223.276 0.163 20 0 BCADHN CSC[C@H](O)CN1CCN(C)[C@H](C)C1 ZINC000777661740 585718308 /nfs/dbraw/zinc/71/83/08/585718308.db2.gz WRBFOGVDVCWRNF-NXEZZACHSA-N 0 3 218.366 0.346 20 0 BCADHN CSC[C@@H](O)CN1CCN(C)[C@@H](C)C1 ZINC000777661741 585718358 /nfs/dbraw/zinc/71/83/58/585718358.db2.gz WRBFOGVDVCWRNF-UWVGGRQHSA-N 0 3 218.366 0.346 20 0 BCADHN C[C@@H](O)[C@H]1CCCN(CC2OCCO2)C1 ZINC000777709934 585718675 /nfs/dbraw/zinc/71/86/75/585718675.db2.gz SOGIIGPCJNVPJZ-ZJUUUORDSA-N 0 3 215.293 0.452 20 0 BCADHN CN(CC1OCCO1)C[C@H]1CCCC[C@@H]1O ZINC000778246433 585729485 /nfs/dbraw/zinc/72/94/85/585729485.db2.gz OISBQUFPWBRNOC-MNOVXSKESA-N 0 3 229.320 0.842 20 0 BCADHN CC[C@]1(CO)CCCN(CC2OCCO2)C1 ZINC000778329122 585731754 /nfs/dbraw/zinc/73/17/54/585731754.db2.gz SCZBSJZQMWJEBJ-LBPRGKRZSA-N 0 3 229.320 0.844 20 0 BCADHN C[C@H](NC(=O)C1(N(C)C)CCC1)c1ncon1 ZINC000778410654 585734117 /nfs/dbraw/zinc/73/41/17/585734117.db2.gz SDWHZFBQBMIGNM-QMMMGPOBSA-N 0 3 238.291 0.731 20 0 BCADHN CN(C)CCNC(=S)N1CC=CCC1 ZINC000778531292 585736660 /nfs/dbraw/zinc/73/66/60/585736660.db2.gz ZCRYCMJBIRQNCU-UHFFFAOYSA-N 0 3 213.350 0.684 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NC[C@@H](O)c1cnn(C)c1 ZINC000779074210 585744705 /nfs/dbraw/zinc/74/47/05/585744705.db2.gz OIKLKSHZQWGRMU-PRHODGIISA-N 0 3 249.318 0.836 20 0 BCADHN C[C@H](CCO)NCc1ccc(C(N)=O)nc1 ZINC000779405334 585753687 /nfs/dbraw/zinc/75/36/87/585753687.db2.gz WUVSRNSAJWBCOQ-MRVPVSSYSA-N 0 3 223.276 0.041 20 0 BCADHN CCc1nc([C@H](C)N[C@@H](C)CCO)n[nH]1 ZINC000779418163 585754293 /nfs/dbraw/zinc/75/42/93/585754293.db2.gz RYJFEWAXBPREHE-YUMQZZPRSA-N 0 3 212.297 0.789 20 0 BCADHN CCC1CCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC000779473332 585755824 /nfs/dbraw/zinc/75/58/24/585755824.db2.gz FPECQKUHBBRVAD-SNVBAGLBSA-N 0 3 224.304 0.914 20 0 BCADHN CC[C@H](CO)C(=O)N(CCOC)CCN(C)C ZINC000779623617 585756876 /nfs/dbraw/zinc/75/68/76/585756876.db2.gz PBBAEBBTMMJCKW-LLVKDONJSA-N 0 3 246.351 0.042 20 0 BCADHN CC[C@H](CO)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000779621728 585757411 /nfs/dbraw/zinc/75/74/11/585757411.db2.gz XZGPWEQSENMXBQ-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@@H](CO)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000779622014 585757436 /nfs/dbraw/zinc/75/74/36/585757436.db2.gz UBLLSKFXAQQIHN-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@H](CO)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000779621729 585757490 /nfs/dbraw/zinc/75/74/90/585757490.db2.gz XZGPWEQSENMXBQ-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@@H](CO)C(=O)NC1CCN(CC)CC1 ZINC000779731273 585760017 /nfs/dbraw/zinc/76/00/17/585760017.db2.gz MKTHVPXATUHVAD-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](CO)C(=O)NCCN1CCCC[C@@H]1C ZINC000779738885 585760270 /nfs/dbraw/zinc/76/02/70/585760270.db2.gz ZBSFOOURQJRVDS-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN CC(=O)OC(C)(C)C(=O)NC[C@@H](C)N(C)C ZINC000779739336 585760420 /nfs/dbraw/zinc/76/04/20/585760420.db2.gz SMMYMMYLESFTGF-MRVPVSSYSA-N 0 3 230.308 0.394 20 0 BCADHN CC[C@H](CO)C(=O)NC[C@@H]1CCCCN1CC ZINC000779777537 585762396 /nfs/dbraw/zinc/76/23/96/585762396.db2.gz IEUGSACQYIQQNN-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](CO)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000779779372 585762676 /nfs/dbraw/zinc/76/26/76/585762676.db2.gz WVTDOXUXINIXLH-CMPLNLGQSA-N 0 3 240.347 0.558 20 0 BCADHN CC[C@H](CO)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000779835007 585768183 /nfs/dbraw/zinc/76/81/83/585768183.db2.gz JLWORQXPTVGFNH-GHMZBOCLSA-N 0 3 240.347 0.772 20 0 BCADHN CCOC(C)(C)CNC(=S)NCCN(C)C ZINC000780230477 585774021 /nfs/dbraw/zinc/77/40/21/585774021.db2.gz OQPDFHKFJIESOL-UHFFFAOYSA-N 0 3 247.408 0.827 20 0 BCADHN CC(C)N1CCN(CCN2CCCC2)CC1=O ZINC000780369551 585778523 /nfs/dbraw/zinc/77/85/23/585778523.db2.gz IDJAKIFGZRWMFX-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN C[C@H]1CCCN1CCNS(=O)(=O)CC1CC1 ZINC000780866202 585785620 /nfs/dbraw/zinc/78/56/20/585785620.db2.gz JSFGAJMAXZGZAT-JTQLQIEISA-N 0 3 246.376 0.800 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000781043605 585789073 /nfs/dbraw/zinc/78/90/73/585789073.db2.gz NVEBZMUATBWDOF-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C(=O)NC[C@H]1CCC=CO1)S(C)(=O)=O ZINC000781488384 585797493 /nfs/dbraw/zinc/79/74/93/585797493.db2.gz NCUJTAIEDXFDJS-DTWKUNHWSA-N 0 3 247.316 0.228 20 0 BCADHN OC[C@H]1CC(F)(F)CN1CCN1CCCC1 ZINC000781945197 585805759 /nfs/dbraw/zinc/80/57/59/585805759.db2.gz NXWJHKWFDPVKRE-SNVBAGLBSA-N 0 3 234.290 0.784 20 0 BCADHN CN(CCC(=O)C1CC1)CC1(O)CCOCC1 ZINC000781965844 585806093 /nfs/dbraw/zinc/80/60/93/585806093.db2.gz DEYGHIZDPPWACL-UHFFFAOYSA-N 0 3 241.331 0.829 20 0 BCADHN COC(CN1CCC2(CNC(=O)O2)CC1)OC ZINC000781998932 585806283 /nfs/dbraw/zinc/80/62/83/585806283.db2.gz LTAINOHYEKTZNQ-UHFFFAOYSA-N 0 3 244.291 0.180 20 0 BCADHN CO[C@@H](C)CN1CCC2(CNC(=O)O2)CC1 ZINC000782005067 585806436 /nfs/dbraw/zinc/80/64/36/585806436.db2.gz UWDCJGVQRJJZPH-VIFPVBQESA-N 0 3 228.292 0.596 20 0 BCADHN COC[C@@H](C)N1CCC2(CNC(=O)O2)CC1 ZINC000781994509 585806491 /nfs/dbraw/zinc/80/64/91/585806491.db2.gz QNWRZGWVVBAFLI-SECBINFHSA-N 0 3 228.292 0.596 20 0 BCADHN C[C@@H](C1CC1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000782182100 585810244 /nfs/dbraw/zinc/81/02/44/585810244.db2.gz RZABYACHVPVBNF-WPRPVWTQSA-N 0 3 232.349 0.408 20 0 BCADHN O=C1CCCN1CCCN1C[C@H]2C[C@@]2(CO)C1 ZINC000782609826 585822027 /nfs/dbraw/zinc/82/20/27/585822027.db2.gz RJAYYTVGBMDWER-YPMHNXCESA-N 0 3 238.331 0.313 20 0 BCADHN O=C1OCCN1CCCN1C[C@@H]2C[C@]2(CO)C1 ZINC000782610651 585822064 /nfs/dbraw/zinc/82/20/64/585822064.db2.gz YSQROKPFOOXIQA-CMPLNLGQSA-N 0 3 240.303 0.143 20 0 BCADHN Cn1cc(CCN2C[C@@H]3C[C@]3(CO)C2)cn1 ZINC000782613695 585822290 /nfs/dbraw/zinc/82/22/90/585822290.db2.gz BNZXNORPJGRWTC-NWDGAFQWSA-N 0 3 221.304 0.277 20 0 BCADHN Cc1cc(C)n(CCN2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782622374 585823087 /nfs/dbraw/zinc/82/30/87/585823087.db2.gz XXUOHZGPUMVPIO-OLZOCXBDSA-N 0 3 235.331 0.814 20 0 BCADHN OC[C@@]12C[C@@H]1CN(CCn1cccn1)C2 ZINC000782629812 585823396 /nfs/dbraw/zinc/82/33/96/585823396.db2.gz VWMXXICFKXXDBH-MNOVXSKESA-N 0 3 207.277 0.197 20 0 BCADHN NC(=O)c1ccc(CN2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782637150 585823871 /nfs/dbraw/zinc/82/38/71/585823871.db2.gz ZWRUTCKAQXSZHS-GXTWGEPZSA-N 0 3 246.310 0.600 20 0 BCADHN C[C@@H]1CC[C@@H]1N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000783252794 585832460 /nfs/dbraw/zinc/83/24/60/585832460.db2.gz VQNUNRRSCLFCNG-ADEWGFFLSA-N 0 3 248.330 0.914 20 0 BCADHN CC[C@H](CO)C(=O)NCC1(N(C)C)CCC1 ZINC000783751122 585841950 /nfs/dbraw/zinc/84/19/50/585841950.db2.gz DBTMSIPOYIEIKW-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CCN1CCC[C@@H]1CNC(=S)N1CC(F)C1 ZINC000783761542 585842469 /nfs/dbraw/zinc/84/24/69/585842469.db2.gz CSHYRVSFWUABSN-SNVBAGLBSA-N 0 3 245.367 0.999 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H]2C[C@]2(CO)C1)N(C)C ZINC000783818018 585843974 /nfs/dbraw/zinc/84/39/74/585843974.db2.gz GLBVNSXYYBLAQZ-HOSYDEDBSA-N 0 3 226.320 0.167 20 0 BCADHN COC[C@H]1CN(CCN2CCCC2)C[C@@H](C)O1 ZINC000784370632 585857448 /nfs/dbraw/zinc/85/74/48/585857448.db2.gz ZGKNGAFMZBZHTP-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN CO[C@H]1CN(CCN2CCOC2=O)CC[C@@H]1C ZINC000784366672 585857473 /nfs/dbraw/zinc/85/74/73/585857473.db2.gz PVBUNLBUMHTHQI-QWRGUYRKSA-N 0 3 242.319 0.795 20 0 BCADHN COC[C@@H]1CN(CCN2CCCC2)C[C@H](C)O1 ZINC000784370635 585857623 /nfs/dbraw/zinc/85/76/23/585857623.db2.gz ZGKNGAFMZBZHTP-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN CN(CC1OCCO1)[C@H]1CC[C@H](O)CC1 ZINC000784393739 585858102 /nfs/dbraw/zinc/85/81/02/585858102.db2.gz KHZDJYNGBYPVDZ-MGCOHNPYSA-N 0 3 215.293 0.595 20 0 BCADHN CC(C)[C@@H](F)C(=O)NCC1(O)CCN(C)CC1 ZINC000784423805 585859285 /nfs/dbraw/zinc/85/92/85/585859285.db2.gz PMHVJJDUELFEIK-SNVBAGLBSA-N 0 3 246.326 0.553 20 0 BCADHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC1OCCO1 ZINC000785547142 585875417 /nfs/dbraw/zinc/87/54/17/585875417.db2.gz SZWDAWAJUMOIGJ-MXWKQRLJSA-N 0 3 229.320 0.841 20 0 BCADHN C[C@@H](O)CN(CCC(=O)C1CC1)[C@H](C)CO ZINC000785537219 585875626 /nfs/dbraw/zinc/87/56/26/585875626.db2.gz OTEPXMQIWRZBGB-NXEZZACHSA-N 0 3 229.320 0.419 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC000785723453 585879024 /nfs/dbraw/zinc/87/90/24/585879024.db2.gz FYNZTGQLPXRRCK-VIFPVBQESA-N 0 3 237.307 0.029 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000786174452 585888230 /nfs/dbraw/zinc/88/82/30/585888230.db2.gz QTXUIHMXPKLEBD-WISYIIOYSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cnn(C)n2)CCN1C ZINC000786232827 585888840 /nfs/dbraw/zinc/88/88/40/585888840.db2.gz ZBRCMDGRJTXSMI-RKDXNWHRSA-N 0 3 237.307 0.028 20 0 BCADHN C[C@@H](OC(=O)C1CCN(C)C1=O)C(F)F ZINC000786503173 585892884 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226.320 0.526 20 0 BCADHN CN(C)C1(C(=O)NC[C@@H]2CC[C@H](O)C2)CCC1 ZINC000789857824 585951825 /nfs/dbraw/zinc/95/18/25/585951825.db2.gz FSMAIJWVJUBYKB-MNOVXSKESA-N 0 3 240.347 0.748 20 0 BCADHN CN(C)C1(C(=O)NC[C@H]2CC[C@@H](O)C2)CCC1 ZINC000789857826 585951837 /nfs/dbraw/zinc/95/18/37/585951837.db2.gz FSMAIJWVJUBYKB-WDEREUQCSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1n[nH]nc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000789927441 585952952 /nfs/dbraw/zinc/95/29/52/585952952.db2.gz YXLGLERHQDLXJH-SECBINFHSA-N 0 3 237.307 0.279 20 0 BCADHN CN(C(=O)CC1OCCO1)[C@@H]1CCCN(C)C1 ZINC000789987291 585955547 /nfs/dbraw/zinc/95/55/47/585955547.db2.gz SJWOUQUTMXYTON-SNVBAGLBSA-N 0 3 242.319 0.302 20 0 BCADHN C[C@@H](O)CCCNC(=O)C1(N(C)C)CCC1 ZINC000790083749 585957745 /nfs/dbraw/zinc/95/77/45/585957745.db2.gz MCJMTBAVSYAOQW-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN COCC1(C)CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000790423554 585964769 /nfs/dbraw/zinc/96/47/69/585964769.db2.gz WEQYQWFAGUAPJR-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000790554750 585966049 /nfs/dbraw/zinc/96/60/49/585966049.db2.gz LPKOFNNMIZGFMO-BBBLOLIVSA-N 0 3 240.303 0.196 20 0 BCADHN CN(C)C1(C(=O)N2C[C@@H](O)C(C)(C)C2)CCC1 ZINC000791160711 585974728 /nfs/dbraw/zinc/97/47/28/585974728.db2.gz FAUVWGKNQPNTKH-SNVBAGLBSA-N 0 3 240.347 0.700 20 0 BCADHN CCO[N-]C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000791195847 585974881 /nfs/dbraw/zinc/97/48/81/585974881.db2.gz KPJZCAAQNCSCSB-IUCAKERBSA-N 0 3 200.282 0.784 20 0 BCADHN CCO[N-]C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000791195847 585974882 /nfs/dbraw/zinc/97/48/82/585974882.db2.gz KPJZCAAQNCSCSB-IUCAKERBSA-N 0 3 200.282 0.784 20 0 BCADHN COC/C=C\C(=O)NC[C@H](C)N(C)C1CC1 ZINC000791348049 585978246 /nfs/dbraw/zinc/97/82/46/585978246.db2.gz BZJZUJQQLLBLDQ-LWTINBJPSA-N 0 3 226.320 0.788 20 0 BCADHN C[C@@]1(O)CCN(C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000792238276 585998333 /nfs/dbraw/zinc/99/83/33/585998333.db2.gz ZXJLYPAQGZWBBE-CMPLNLGQSA-N 0 3 239.315 0.929 20 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586046364 /nfs/dbraw/zinc/04/63/64/586046364.db2.gz PIWNZTUIOLOYSY-SNVBAGLBSA-N 0 3 210.281 0.473 20 0 BCADHN C[C@@H]1CC(=O)N(CN2CC[C@@](C)(C(N)=O)C2)C1 ZINC000794708391 586047017 /nfs/dbraw/zinc/04/70/17/586047017.db2.gz ABSGCOMZXIOBGJ-BXKDBHETSA-N 0 3 239.319 0.010 20 0 BCADHN CCN(CCN1CCOC1=O)[C@H](C)CO ZINC000794694157 586047207 /nfs/dbraw/zinc/04/72/07/586047207.db2.gz YLLWJWMLHJCFSI-SECBINFHSA-N 0 3 216.281 0.141 20 0 BCADHN CCCOC(=O)[C@H](C)N1CC[C@H]2CN(C)C[C@H]21 ZINC000794950678 586057390 /nfs/dbraw/zinc/05/73/90/586057390.db2.gz ZGQRSXIDZDUEIH-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(C[C@H]3CCCCO3)C[C@@H]21 ZINC000794983911 586061235 /nfs/dbraw/zinc/06/12/35/586061235.db2.gz PBJWIUGSVMLUER-WYUUTHIRSA-N 0 3 239.315 0.906 20 0 BCADHN O[C@@H](CN1CCN(c2ccncc2)CC1)C1CC1 ZINC000795096413 586068211 /nfs/dbraw/zinc/06/82/11/586068211.db2.gz WCZVEERXEOSPMK-AWEZNQCLSA-N 0 3 247.342 0.975 20 0 BCADHN CCCN(CCCN1CCOC1=O)CC(N)=O ZINC000795503944 586081767 /nfs/dbraw/zinc/08/17/67/586081767.db2.gz DGINLHLRCLGJJU-UHFFFAOYSA-N 0 3 243.307 0.026 20 0 BCADHN CN(CCS(N)(=O)=O)[C@H]1CCC(C)(C)C1 ZINC000796533325 586106079 /nfs/dbraw/zinc/10/60/79/586106079.db2.gz RSZIEQXTALOZFQ-VIFPVBQESA-N 0 3 234.365 0.785 20 0 BCADHN CNC(=O)NC(=O)CCN1CCC(F)(F)CC1 ZINC000796539996 586106305 /nfs/dbraw/zinc/10/63/05/586106305.db2.gz ZTAQIVXHRACANY-UHFFFAOYSA-N 0 3 249.261 0.563 20 0 BCADHN O[C@H](Cn1cccn1)CN1CCC(F)(F)CC1 ZINC000796543419 586106709 /nfs/dbraw/zinc/10/67/09/586106709.db2.gz UZKVNRKXQMPQPV-JTQLQIEISA-N 0 3 245.273 0.975 20 0 BCADHN NS(=O)(=O)CCN(CC1CC1)CC1CCC1 ZINC000796576588 586107470 /nfs/dbraw/zinc/10/74/70/586107470.db2.gz YHSLWOWSAOWALQ-UHFFFAOYSA-N 0 3 246.376 0.787 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=S)NCCN(C)C ZINC000797796470 586131545 /nfs/dbraw/zinc/13/15/45/586131545.db2.gz ITDWTJWVYNTQQP-RKDXNWHRSA-N 0 3 215.366 0.811 20 0 BCADHN CN(CCc1cn(C)nn1)C1(CO)CCC1 ZINC000859314934 589030696 /nfs/dbraw/zinc/03/06/96/589030696.db2.gz VZYNXROYDIDETI-UHFFFAOYSA-N 0 3 224.308 0.204 20 0 BCADHN C[C@H](OC(=O)C1CCN(C)C1=O)C(=O)C1CC1 ZINC000798653476 586147753 /nfs/dbraw/zinc/14/77/53/586147753.db2.gz JIECTFSYJXRAGX-CBAPKCEASA-N 0 3 239.271 0.376 20 0 BCADHN COC[C@H](CO)NC[C@H](O)c1ccccc1C ZINC000843077110 586149148 /nfs/dbraw/zinc/14/91/48/586149148.db2.gz ACPKEZKPASBHAY-AAEUAGOBSA-N 0 3 239.315 0.625 20 0 BCADHN CC(C)CCN(C)[C@H]1CCC(=O)NC1=O ZINC000799114103 586157616 /nfs/dbraw/zinc/15/76/16/586157616.db2.gz RBDXOUGXUQVEEM-VIFPVBQESA-N 0 3 212.293 0.770 20 0 BCADHN CCOC1CCN(CCC(=O)N(C)OC)CC1 ZINC000799117812 586158315 /nfs/dbraw/zinc/15/83/15/586158315.db2.gz YWYGOIDCISFLSJ-UHFFFAOYSA-N 0 3 244.335 0.897 20 0 BCADHN CC[C@@H](C)CN(C)[C@@H]1CCC(=O)NC1=O ZINC000799122353 586159325 /nfs/dbraw/zinc/15/93/25/586159325.db2.gz FSHBKHPDYBZUAZ-RKDXNWHRSA-N 0 3 212.293 0.770 20 0 BCADHN CO[C@@H]1CCN(CCC(=O)N(C)OC)C1 ZINC000799125449 586159878 /nfs/dbraw/zinc/15/98/78/586159878.db2.gz DUYHFEXRDURSLW-SECBINFHSA-N 0 3 216.281 0.117 20 0 BCADHN C[C@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC000799126118 586161174 /nfs/dbraw/zinc/16/11/74/586161174.db2.gz YFNXBOKUPOTEHA-HRDYMLBCSA-N 0 3 210.277 0.379 20 0 BCADHN CON(C)C(=O)CCN1C[C@@H](C)N(C)C[C@H]1C ZINC000799146995 586161770 /nfs/dbraw/zinc/16/17/70/586161770.db2.gz DELZJUNKTWVPCF-GHMZBOCLSA-N 0 3 243.351 0.421 20 0 BCADHN C[C@@H]1CSCCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000799167821 586163609 /nfs/dbraw/zinc/16/36/09/586163609.db2.gz AFBNWAGXMLGAON-DTWKUNHWSA-N 0 3 242.344 0.477 20 0 BCADHN O=C1N[C@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2CO1 ZINC000799180128 586165432 /nfs/dbraw/zinc/16/54/32/586165432.db2.gz OSYXTUAFROZXFU-VWYCJHECSA-N 0 3 240.303 0.596 20 0 BCADHN OCCOCCN1CC[C@@H](c2ccccn2)C1 ZINC000799191315 586166396 /nfs/dbraw/zinc/16/63/96/586166396.db2.gz YZYCTMMBKDQCRS-GFCCVEGCSA-N 0 3 236.315 0.880 20 0 BCADHN CC[C@H](CO)N[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000799223319 586167717 /nfs/dbraw/zinc/16/77/17/586167717.db2.gz FMYHBFWEWVMLBX-AXFHLTTASA-N 0 3 244.335 0.031 20 0 BCADHN CC[C@H](O)CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000799301989 586170074 /nfs/dbraw/zinc/17/00/74/586170074.db2.gz XIWJVHDEIIAHRU-AVGNSLFASA-N 0 3 242.363 0.288 20 0 BCADHN CN(C[C@H](O)c1ccc(F)cn1)CC(C)(C)O ZINC000799302549 586170097 /nfs/dbraw/zinc/17/00/97/586170097.db2.gz PIUYYPXZWPNHJN-NSHDSACASA-N 0 3 242.294 0.957 20 0 BCADHN C[C@@H](O)CCN(C)C[C@@H](O)c1ccc(F)cn1 ZINC000799303002 586170464 /nfs/dbraw/zinc/17/04/64/586170464.db2.gz FKNIIGLOCYZKIZ-BXKDBHETSA-N 0 3 242.294 0.957 20 0 BCADHN CCN(CC)CCOC(=O)[C@H]1CCCC(=O)N1 ZINC000800242598 586205909 /nfs/dbraw/zinc/20/59/09/586205909.db2.gz GRXWNTYGKXQTFS-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN COC[C@@H](CO)NC[C@@H](O)c1ccccc1C ZINC000843079669 586213695 /nfs/dbraw/zinc/21/36/95/586213695.db2.gz ACPKEZKPASBHAY-DGCLKSJQSA-N 0 3 239.315 0.625 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@H]3C[C@H]32)CCO1 ZINC000800366849 586213994 /nfs/dbraw/zinc/21/39/94/586213994.db2.gz KZOOJXPVBIWGRQ-GRYCIOLGSA-N 0 3 210.321 0.801 20 0 BCADHN C[C@H]1CN(CCN2CCN(C)[C@@H](C)C2)CCO1 ZINC000800367014 586214251 /nfs/dbraw/zinc/21/42/51/586214251.db2.gz QVEMJHMTMUCFIQ-STQMWFEESA-N 0 3 241.379 0.343 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)OCCN1CCCCC1 ZINC000801185211 586246314 /nfs/dbraw/zinc/24/63/14/586246314.db2.gz OKEJXXACQAXMGY-JTQLQIEISA-N 0 3 242.319 0.540 20 0 BCADHN C[C@H]1CN(CCc2ccnn2C)CCN1C ZINC000801936757 586279351 /nfs/dbraw/zinc/27/93/51/586279351.db2.gz YLWHZMQIWBVXDF-NSHDSACASA-N 0 3 222.336 0.599 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(C[C@H](O)C2CC2)C1 ZINC000859558005 589044912 /nfs/dbraw/zinc/04/49/12/589044912.db2.gz XSOKKADDNCNAEX-CMPLNLGQSA-N 0 3 243.303 0.021 20 0 BCADHN CCN1C[C@@H](CN(C)CC2(C)COC2)OC1=O ZINC000859570979 589045588 /nfs/dbraw/zinc/04/55/88/589045588.db2.gz FNKBIPVTWNYHBW-SNVBAGLBSA-N 0 3 242.319 0.795 20 0 BCADHN OCCN1CCC[C@@](O)(c2ccccc2)C1 ZINC000859585587 589045805 /nfs/dbraw/zinc/04/58/05/589045805.db2.gz AOOCJLDINLBCSJ-ZDUSSCGKSA-N 0 3 221.300 0.962 20 0 BCADHN C[C@@H](O)CN[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000843106654 586385534 /nfs/dbraw/zinc/38/55/34/586385534.db2.gz KPNPAMZYSVEUGV-KGYLQXTDSA-N 0 3 239.315 0.441 20 0 BCADHN NC(=O)[N-]C(=O)OCCC[NH+](C1CC1)C1CC1 ZINC000859628632 589050136 /nfs/dbraw/zinc/05/01/36/589050136.db2.gz XUNGDIOIPCLBKN-UHFFFAOYSA-N 0 3 241.291 0.808 20 0 BCADHN Cc1c[nH]nc1CN1CCNC[C@H]1C(F)F ZINC000843124421 586410395 /nfs/dbraw/zinc/41/03/95/586410395.db2.gz ACIPBIIIDJPUMQ-VIFPVBQESA-N 0 3 230.262 0.757 20 0 BCADHN CCON(C)C(=O)N[C@@H](C)CN(C)C ZINC000807577467 586446594 /nfs/dbraw/zinc/44/65/94/586446594.db2.gz SKHIRYBNDKBGCC-QMMMGPOBSA-N 0 3 203.286 0.529 20 0 BCADHN CC(C)C1(O)CN(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000807577635 586446655 /nfs/dbraw/zinc/44/66/55/586446655.db2.gz WHYPWKOXLNQOIP-JTQLQIEISA-N 0 3 243.351 0.349 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1C[C@@H](C)OC1=O ZINC000808204376 586467776 /nfs/dbraw/zinc/46/77/76/586467776.db2.gz HZMMLUSJINYIHY-BDAKNGLRSA-N 0 3 228.292 0.147 20 0 BCADHN C[C@H](CCO)N[C@H]1COc2ccccc2[C@H]1O ZINC000808727828 586485381 /nfs/dbraw/zinc/48/53/81/586485381.db2.gz AIRFZGIVPDSXDK-SUZMYJTESA-N 0 3 237.299 0.842 20 0 BCADHN CC(C)C(=O)CCN1CC[C@]2(CNC(=O)C2)C1 ZINC000808754562 586488998 /nfs/dbraw/zinc/48/89/98/586488998.db2.gz UJVMPEMZPXSACR-ZDUSSCGKSA-N 0 3 238.331 0.814 20 0 BCADHN NS(=O)(=O)CCN1CCC[C@@H](C2CC2)C1 ZINC000808777698 586489493 /nfs/dbraw/zinc/48/94/93/586489493.db2.gz DDLFHYCWTPXSMK-SNVBAGLBSA-N 0 3 232.349 0.397 20 0 BCADHN Cn1nncc1NC(=O)N[C@H]1CCCN(C)C1 ZINC000809898695 586521898 /nfs/dbraw/zinc/52/18/98/586521898.db2.gz MXDFCRKRXZRPSU-QMMMGPOBSA-N 0 3 238.295 0.031 20 0 BCADHN Cn1nncc1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000809898694 586522038 /nfs/dbraw/zinc/52/20/38/586522038.db2.gz MXDFCRKRXZRPSU-MRVPVSSYSA-N 0 3 238.295 0.031 20 0 BCADHN CN(Cc1cnn(C)n1)[C@H]1CCN(C2CC2)C1 ZINC000809946744 586524884 /nfs/dbraw/zinc/52/48/84/586524884.db2.gz LLZXALAFELAURC-LBPRGKRZSA-N 0 3 235.335 0.484 20 0 BCADHN OCCCN1CCN(CCc2ccncc2)CC1 ZINC000809968045 586527698 /nfs/dbraw/zinc/52/76/98/586527698.db2.gz LITXJTNREHAINQ-UHFFFAOYSA-N 0 3 249.358 0.624 20 0 BCADHN Cn1ncc(CONC(=N)COC(C)(C)C)n1 ZINC000809997555 586529831 /nfs/dbraw/zinc/52/98/31/586529831.db2.gz CSMXVRCVJQQXRS-UHFFFAOYSA-N 0 3 241.295 0.629 20 0 BCADHN CCc1nncn1CCNCc1[nH]ncc1C ZINC000810148243 586535319 /nfs/dbraw/zinc/53/53/19/586535319.db2.gz XFERCXYDRSRQCG-UHFFFAOYSA-N 0 3 234.307 0.662 20 0 BCADHN Cc1cn[nH]c1CN(C[C@H](C)O)[C@@H](C)CO ZINC000811494368 586559907 /nfs/dbraw/zinc/55/99/07/586559907.db2.gz SRGNBYTVYMOYAF-UWVGGRQHSA-N 0 3 227.308 0.282 20 0 BCADHN Cc1cn[nH]c1CN(C[C@@H](C)O)[C@@H](C)CO ZINC000811494370 586560154 /nfs/dbraw/zinc/56/01/54/586560154.db2.gz SRGNBYTVYMOYAF-VHSXEESVSA-N 0 3 227.308 0.282 20 0 BCADHN CC[C@H](O)CN1CCC(C(=O)N(C)OC)CC1 ZINC000812869628 586587951 /nfs/dbraw/zinc/58/79/51/586587951.db2.gz HVJDFELBJSJHRY-NSHDSACASA-N 0 3 244.335 0.489 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)[C@@H](O)C(C)C ZINC000813451348 586602137 /nfs/dbraw/zinc/60/21/37/586602137.db2.gz MHLBAOYXAUGRQD-QWRGUYRKSA-N 0 3 230.352 0.706 20 0 BCADHN CN1CCC(CC(=O)N[C@@H](CO)C2CC2)CC1 ZINC000813505599 586602366 /nfs/dbraw/zinc/60/23/66/586602366.db2.gz GTYASYKTVJJDSC-LBPRGKRZSA-N 0 3 240.347 0.605 20 0 BCADHN CN1CCC(CC(=O)N[C@H](CO)C2CC2)CC1 ZINC000813505598 586602441 /nfs/dbraw/zinc/60/24/41/586602441.db2.gz GTYASYKTVJJDSC-GFCCVEGCSA-N 0 3 240.347 0.605 20 0 BCADHN CCOCCO[N-]C(=O)CC1CC[NH+](C)CC1 ZINC000813523769 586602900 /nfs/dbraw/zinc/60/29/00/586602900.db2.gz BNHWLYMDGRRTFY-UHFFFAOYSA-N 0 3 244.335 0.803 20 0 BCADHN COC(=O)[C@H](CF)NC(=O)C1(N(C)C)CCC1 ZINC000813690906 586605455 /nfs/dbraw/zinc/60/54/55/586605455.db2.gz PVVABVYMYQOHJS-QMMMGPOBSA-N 0 3 246.282 0.098 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Nc3ccncc3)[C@H]2C1 ZINC000813821205 586606726 /nfs/dbraw/zinc/60/67/26/586606726.db2.gz PVZROAGUYYIGJI-PWSUYJOCSA-N 0 3 246.314 0.671 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)Nc3ccncc3)[C@@H]2C1 ZINC000813821203 586606868 /nfs/dbraw/zinc/60/68/68/586606868.db2.gz PVZROAGUYYIGJI-CMPLNLGQSA-N 0 3 246.314 0.671 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3nccn3C)[C@H]2C1 ZINC000813820765 586606896 /nfs/dbraw/zinc/60/68/96/586606896.db2.gz KBOMLRHDURUIQB-ZJUUUORDSA-N 0 3 234.303 0.196 20 0 BCADHN COCC(C)(C)COC(=O)C1CCN(C)C1=O ZINC000813993889 586610690 /nfs/dbraw/zinc/61/06/90/586610690.db2.gz WDZRXYLISUXWNV-SECBINFHSA-N 0 3 243.303 0.681 20 0 BCADHN Cc1ncoc1COC(=O)C1CCN(C)C1=O ZINC000814096434 586613756 /nfs/dbraw/zinc/61/37/56/586613756.db2.gz OECDROHYNGUKQG-QMMMGPOBSA-N 0 3 238.243 0.505 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(C[C@@H](O)C(C)C)C[C@@H]21 ZINC000814638051 586626935 /nfs/dbraw/zinc/62/69/35/586626935.db2.gz JPIRSYIORLVUNX-YTWAJWBKSA-N 0 3 227.304 0.354 20 0 BCADHN CC(C)[C@H](O)CNC(C)(C)C(=O)N1CCCC1 ZINC000814635112 586627217 /nfs/dbraw/zinc/62/72/17/586627217.db2.gz OYRCJJDHKFDCLY-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN O[C@@H]1CCN(CC2OCCO2)C12CCCC2 ZINC000814667946 586627749 /nfs/dbraw/zinc/62/77/49/586627749.db2.gz UXLURTAHDGZTDW-SNVBAGLBSA-N 0 3 227.304 0.739 20 0 BCADHN COC1(CCN2CCCNC(=O)C2)CCC1 ZINC000815033650 586664735 /nfs/dbraw/zinc/66/47/35/586664735.db2.gz NZTSIGBTLZYBII-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN CC[C@@H](CNCc1cnn(C)n1)N1CCCC1 ZINC000815113878 586667177 /nfs/dbraw/zinc/66/71/77/586667177.db2.gz GCXIUFVLQRUQKJ-LBPRGKRZSA-N 0 3 237.351 0.779 20 0 BCADHN CCN(C[C@H](O)c1ccc(F)cn1)[C@@H](C)CO ZINC000815182041 586672853 /nfs/dbraw/zinc/67/28/53/586672853.db2.gz MFWZTXASYPKOJD-CABZTGNLSA-N 0 3 242.294 0.957 20 0 BCADHN CC(C)N(C)CCNC(=O)c1cc(C=O)c[nH]1 ZINC000815599709 586688811 /nfs/dbraw/zinc/68/88/11/586688811.db2.gz YVTCOXSTYBKSCP-UHFFFAOYSA-N 0 3 237.303 0.897 20 0 BCADHN CN(C)CCCN(C)C(=O)c1cc(C=O)c[nH]1 ZINC000815951619 586699534 /nfs/dbraw/zinc/69/95/34/586699534.db2.gz KVIQTBFHDFTTBC-UHFFFAOYSA-N 0 3 237.303 0.851 20 0 BCADHN CO[C@@H](COC(=O)C1CCN(C)C1=O)C(C)C ZINC000816349751 586718976 /nfs/dbraw/zinc/71/89/76/586718976.db2.gz YYEMPZBQYKDQKY-UWVGGRQHSA-N 0 3 243.303 0.679 20 0 BCADHN CCN(CCNC(=O)Cc1ncc[nH]1)C1CC1 ZINC000816915308 586771156 /nfs/dbraw/zinc/77/11/56/586771156.db2.gz WNRBPENDJMHMCG-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN CCC1(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)COC1 ZINC000816949905 586773375 /nfs/dbraw/zinc/77/33/75/586773375.db2.gz IBVDBCFWJSUQKI-GHMZBOCLSA-N 0 3 238.331 0.576 20 0 BCADHN c1cc(CN[C@@H]2CCc3nnnn3CC2)co1 ZINC000817418921 586803224 /nfs/dbraw/zinc/80/32/24/586803224.db2.gz LBQYWLFTAPHLHU-SNVBAGLBSA-N 0 3 233.275 0.761 20 0 BCADHN CC(C)N(C[C@H](O)CO)C[C@@H]1CCC=CO1 ZINC000817417681 586803693 /nfs/dbraw/zinc/80/36/93/586803693.db2.gz MVQGJGAFEKUTER-RYUDHWBXSA-N 0 3 229.320 0.743 20 0 BCADHN CC[C@@H](CO)C(=O)N(C)C[C@H]1CCCN1C ZINC000817679910 586816405 /nfs/dbraw/zinc/81/64/05/586816405.db2.gz XFRGYMCEOJKCKG-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN COC/C=C/C(=O)N(C)C[C@@H]1CCCN1C ZINC000817679416 586817397 /nfs/dbraw/zinc/81/73/97/586817397.db2.gz SJGDHFHIFMMVRK-ZRQQLDRUSA-N 0 3 226.320 0.742 20 0 BCADHN COC/C=C\C(=O)N(C)C[C@@H]1CCCN1C ZINC000817679414 586817673 /nfs/dbraw/zinc/81/76/73/586817673.db2.gz SJGDHFHIFMMVRK-XOIDGJRKSA-N 0 3 226.320 0.742 20 0 BCADHN Cc1nonc1CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000817943087 586846502 /nfs/dbraw/zinc/84/65/02/586846502.db2.gz IKPZPSRHVCLCBV-IONNQARKSA-N 0 3 238.291 0.382 20 0 BCADHN O=C1OCC[C@@H]1N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859921176 589071256 /nfs/dbraw/zinc/07/12/56/589071256.db2.gz HCCWOEVKFBXXPC-JBLDHEPKSA-N 0 3 225.288 0.396 20 0 BCADHN C[S@@](=O)CCN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859925843 589071354 /nfs/dbraw/zinc/07/13/54/589071354.db2.gz XGEUBUPUTHVNKL-FIXISWKDSA-N 0 3 231.361 0.459 20 0 BCADHN CC(Cl)(Cl)C(=O)NC[C@@H]1CNCCO1 ZINC000818011556 586864317 /nfs/dbraw/zinc/86/43/17/586864317.db2.gz IOINSMDLMKVCRY-LURJTMIESA-N 0 3 241.118 0.285 20 0 BCADHN CC(C(=O)NC[C@@H]1CNCCO1)=C1CCCC1 ZINC000818012717 586864486 /nfs/dbraw/zinc/86/44/86/586864486.db2.gz XCPIDUCWWNNCEJ-LBPRGKRZSA-N 0 3 238.331 0.982 20 0 BCADHN NC(=O)c1cc(NC(=O)[C@H]2C[C@H]2N)ccc1F ZINC000818057267 586867867 /nfs/dbraw/zinc/86/78/67/586867867.db2.gz ZQPJRPOATVFZFI-IONNQARKSA-N 0 3 237.234 0.210 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@H](O)c1ccccc1F ZINC000818061908 586868661 /nfs/dbraw/zinc/86/86/61/586868661.db2.gz ITKMPLCMCMCJBK-GDPRMGEGSA-N 0 3 238.262 0.323 20 0 BCADHN COc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@@H]1N)CC2 ZINC000818097220 586873676 /nfs/dbraw/zinc/87/36/76/586873676.db2.gz ZOSRJISXHBWKOF-OLZOCXBDSA-N 0 3 246.310 0.927 20 0 BCADHN COC(=O)C1CCC(NC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000818115237 586875080 /nfs/dbraw/zinc/87/50/80/586875080.db2.gz HUXFDXBAFADROR-BMNUFHGDSA-N 0 3 240.303 0.182 20 0 BCADHN CS[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000818144928 586877430 /nfs/dbraw/zinc/87/74/30/586877430.db2.gz CZMVWFNEXWVIEP-MAUMQABQSA-N 0 3 214.334 0.734 20 0 BCADHN CCc1cc(NC(=O)[C@@H]2C[C@@H]2N)nn1C ZINC000818231628 586880805 /nfs/dbraw/zinc/88/08/05/586880805.db2.gz VKICWDXPIBDBNS-SFYZADRCSA-N 0 3 208.265 0.268 20 0 BCADHN COC(=O)CC(C)(C)NC(=O)[C@H]1NCC1(C)C ZINC000818465501 586892234 /nfs/dbraw/zinc/89/22/34/586892234.db2.gz AFQSNDVHBWUMOT-SECBINFHSA-N 0 3 242.319 0.442 20 0 BCADHN CCNCC(=O)NCCNC(=O)c1ccccc1 ZINC000818472596 586893361 /nfs/dbraw/zinc/89/33/61/586893361.db2.gz XWVLLBCGHCPJKP-UHFFFAOYSA-N 0 3 249.314 0.142 20 0 BCADHN O=C(CNC[C@H]1CCCO1)NCc1ccon1 ZINC000818500152 586894916 /nfs/dbraw/zinc/89/49/16/586894916.db2.gz HFIRFBOCULXCFM-SNVBAGLBSA-N 0 3 239.275 0.059 20 0 BCADHN CCNCC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000818490149 586894944 /nfs/dbraw/zinc/89/49/44/586894944.db2.gz RXNPTGAHOPIRPK-WCQGTBRESA-N 0 3 240.347 0.916 20 0 BCADHN CCNCC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000818490147 586895348 /nfs/dbraw/zinc/89/53/48/586895348.db2.gz RXNPTGAHOPIRPK-JLLWLGSASA-N 0 3 240.347 0.916 20 0 BCADHN CCC[C@H](O)[C@H](CO)Nc1cc(C)nc(N)n1 ZINC000840361070 586895843 /nfs/dbraw/zinc/89/58/43/586895843.db2.gz RFBPYJYENBZMEX-IUCAKERBSA-N 0 3 240.307 0.301 20 0 BCADHN CCNCC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000818516545 586896755 /nfs/dbraw/zinc/89/67/55/586896755.db2.gz WVGXLWQVLNNCEW-UHFFFAOYSA-N 0 3 246.274 0.210 20 0 BCADHN COc1ccc(N)c(NC(=O)CNC2CC2)c1 ZINC000818558112 586900684 /nfs/dbraw/zinc/90/06/84/586900684.db2.gz DKHREXQIJHWPJF-UHFFFAOYSA-N 0 3 235.287 0.968 20 0 BCADHN CCNCC(=O)NCc1cc(C)cc(N)c1 ZINC000818595090 586904558 /nfs/dbraw/zinc/90/45/58/586904558.db2.gz CAXLHSPYRXWXNW-UHFFFAOYSA-N 0 3 221.304 0.803 20 0 BCADHN CCNCC(=O)NC[C@H]1CCC[C@@H]1OC ZINC000818608856 586904986 /nfs/dbraw/zinc/90/49/86/586904986.db2.gz FBIUULQCEJRHKD-ZJUUUORDSA-N 0 3 214.309 0.527 20 0 BCADHN CCNCC(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000818605824 586905201 /nfs/dbraw/zinc/90/52/01/586905201.db2.gz QSPLCEQHUDWRSQ-LBPRGKRZSA-N 0 3 240.347 0.871 20 0 BCADHN CCNCC(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000818606983 586905556 /nfs/dbraw/zinc/90/55/56/586905556.db2.gz QDAHRXYIVABCQE-WDEREUQCSA-N 0 3 228.336 0.916 20 0 BCADHN CCNCC(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000818606980 586905637 /nfs/dbraw/zinc/90/56/37/586905637.db2.gz QDAHRXYIVABCQE-GHMZBOCLSA-N 0 3 228.336 0.916 20 0 BCADHN CCNCC(=O)N[C@](CC)(C(N)=O)C(C)C ZINC000818608047 586906190 /nfs/dbraw/zinc/90/61/90/586906190.db2.gz YTLPONNFFABXEF-NSHDSACASA-N 0 3 229.324 0.002 20 0 BCADHN Cc1csc(CCNCCS(C)(=O)=O)n1 ZINC000818946860 586916807 /nfs/dbraw/zinc/91/68/07/586916807.db2.gz GFXWCTJWFVDNBG-UHFFFAOYSA-N 0 3 248.373 0.628 20 0 BCADHN CO[C@@H](CNCCC(N)=O)C(F)(F)F ZINC000819070195 586928791 /nfs/dbraw/zinc/92/87/91/586928791.db2.gz UEIAPGNZDVXMJM-YFKPBYRVSA-N 0 3 214.187 0.029 20 0 BCADHN CS(=O)(=O)CCNC[C@H](O)C1CCCCC1 ZINC000818963443 586918064 /nfs/dbraw/zinc/91/80/64/586918064.db2.gz UHWMRLCBAJDUQX-NSHDSACASA-N 0 3 249.376 0.562 20 0 BCADHN CCN(CC)C(=O)CNC[C@H](O)CSC ZINC000818975211 586918923 /nfs/dbraw/zinc/91/89/23/586918923.db2.gz KTTGFKYHAUBDCU-VIFPVBQESA-N 0 3 234.365 0.168 20 0 BCADHN CCN(CC)C(=O)CNC[C@@H](O)CSC ZINC000818975210 586918929 /nfs/dbraw/zinc/91/89/29/586918929.db2.gz KTTGFKYHAUBDCU-SECBINFHSA-N 0 3 234.365 0.168 20 0 BCADHN CON(C)C(=O)CCNCc1cnc(C)s1 ZINC000818975348 586919513 /nfs/dbraw/zinc/91/95/13/586919513.db2.gz XCIHSTVAFOVHSO-UHFFFAOYSA-N 0 3 243.332 0.951 20 0 BCADHN CN(C)CCNC(=S)NN(C)C1CC1 ZINC000819025144 586925349 /nfs/dbraw/zinc/92/53/49/586925349.db2.gz ZKIWTIQGSZVELM-UHFFFAOYSA-N 0 3 216.354 0.021 20 0 BCADHN CN(C)CCNC(=S)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000819035262 586926407 /nfs/dbraw/zinc/92/64/07/586926407.db2.gz WZTKTQFZEYKRFL-ILWJIGKKSA-N 0 3 227.377 0.811 20 0 BCADHN O=C(/C=C/[C@@H]1CCCO1)NCCN1CCCC1 ZINC000819033722 586926515 /nfs/dbraw/zinc/92/65/15/586926515.db2.gz RORCBBBFXXHKLN-FYJFLYSWSA-N 0 3 238.331 0.934 20 0 BCADHN CCN1CCCC[C@H]1CNCCS(C)(=O)=O ZINC000819050137 586927575 /nfs/dbraw/zinc/92/75/75/586927575.db2.gz HNSCOEYQGBAWTH-NSHDSACASA-N 0 3 248.392 0.495 20 0 BCADHN CS(=O)(=O)CCNCCn1cccc1 ZINC000819118217 586931403 /nfs/dbraw/zinc/93/14/03/586931403.db2.gz DVRDMNJOXZJMNK-UHFFFAOYSA-N 0 3 216.306 0.122 20 0 BCADHN C[C@H](O)c1ccc(CNCCC(N)=O)cc1 ZINC000819131179 586932441 /nfs/dbraw/zinc/93/24/41/586932441.db2.gz LIHWTOYYZUCFLG-VIFPVBQESA-N 0 3 222.288 0.705 20 0 BCADHN C[C@H](CNCCS(C)(=O)=O)c1ccncc1 ZINC000819132539 586932717 /nfs/dbraw/zinc/93/27/17/586932717.db2.gz FHHCNNIVYNNPIK-SNVBAGLBSA-N 0 3 242.344 0.819 20 0 BCADHN COC(=O)N1CC(NCC2(O)CCCCC2)C1 ZINC000819178614 586935277 /nfs/dbraw/zinc/93/52/77/586935277.db2.gz YFVJWMZFHXUTTL-UHFFFAOYSA-N 0 3 242.319 0.722 20 0 BCADHN C[C@@H](NCCC(=O)NC(N)=O)c1ccc[nH]1 ZINC000819194473 586937581 /nfs/dbraw/zinc/93/75/81/586937581.db2.gz RTEBRNUBYPYKKG-SSDOTTSWSA-N 0 3 224.264 0.250 20 0 BCADHN CON(C)C(=O)CCNCc1cnn(C)c1C ZINC000819190151 586937587 /nfs/dbraw/zinc/93/75/87/586937587.db2.gz HKTQUWAPEDUQMF-UHFFFAOYSA-N 0 3 240.307 0.228 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1CCC[C@H]1CCO ZINC000819247521 586940626 /nfs/dbraw/zinc/94/06/26/586940626.db2.gz MYDXUXDVIYSLFK-QWRGUYRKSA-N 0 3 249.376 0.562 20 0 BCADHN CCC(O)(CC)CCNCCS(C)(=O)=O ZINC000819257660 586944992 /nfs/dbraw/zinc/94/49/92/586944992.db2.gz XXRRULDXZFIXIE-UHFFFAOYSA-N 0 3 237.365 0.562 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000819271789 586945794 /nfs/dbraw/zinc/94/57/94/586945794.db2.gz WNDLTXARCPDIPD-MYJAWHEDSA-N 0 3 217.334 0.809 20 0 BCADHN CCO[C@H]1C[C@@H](NCCS(=O)(=O)CC)C1 ZINC000819361783 586956922 /nfs/dbraw/zinc/95/69/22/586956922.db2.gz RZHNJAVJKOCBLD-AOOOYVTPSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)/C=C/[C@@H]1CCCO1 ZINC000819533273 586974406 /nfs/dbraw/zinc/97/44/06/586974406.db2.gz IGTAGRKSVDTWRH-JYLGIWJRSA-N 0 3 226.320 0.788 20 0 BCADHN CN(C)CCONC(=O)/C=C/[C@H]1CCCO1 ZINC000819546306 586976569 /nfs/dbraw/zinc/97/65/69/586976569.db2.gz UHWMYYBGVCXXAP-BRAIEQGRSA-N 0 3 228.292 0.331 20 0 BCADHN Cc1cc(N2CCC[C@@H](CO)[C@@H]2C)nc(N)n1 ZINC000840388488 586978926 /nfs/dbraw/zinc/97/89/26/586978926.db2.gz UMOWFYCDUCAURW-UWVGGRQHSA-N 0 3 236.319 0.964 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)C(F)F)[C@@H]2C1 ZINC000819717177 586988377 /nfs/dbraw/zinc/98/83/77/586988377.db2.gz CDYWWVCDPIGPDZ-JGVFFNPUSA-N 0 3 218.247 0.804 20 0 BCADHN C[C@@H]1C[C@H](CO)CCN1CC[S@](C)=O ZINC000860089493 589079876 /nfs/dbraw/zinc/07/98/76/589079876.db2.gz BDTSBDHEMYWSPH-RULNRJAQSA-N 0 3 219.350 0.458 20 0 BCADHN COC(=O)/C(C)=C\CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860129689 589080885 /nfs/dbraw/zinc/08/08/85/589080885.db2.gz XUMFYJQDLJBFEG-SGDVRUJFSA-N 0 3 239.315 0.951 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1COC(=O)C1)N(CC)CC ZINC000820084852 587019716 /nfs/dbraw/zinc/01/97/16/587019716.db2.gz VVMOYWVRBHNMJF-UWVGGRQHSA-N 0 3 242.319 0.539 20 0 BCADHN COC(OC)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000820242367 587037913 /nfs/dbraw/zinc/03/79/13/587037913.db2.gz TVHWLKZDOQTORW-ZJUUUORDSA-N 0 3 244.335 0.546 20 0 BCADHN CCC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC000820317472 587043171 /nfs/dbraw/zinc/04/31/71/587043171.db2.gz GOSOXKKWDPYUAY-UHFFFAOYSA-N 0 3 240.347 0.846 20 0 BCADHN C[C@@H](NC(=O)CN1CCCC1)c1nc[nH]n1 ZINC000820447620 587049673 /nfs/dbraw/zinc/04/96/73/587049673.db2.gz ZGHADLMWRBLDQR-MRVPVSSYSA-N 0 3 223.280 0.078 20 0 BCADHN C[C@@H](NC(=O)C[NH+]1CCCC1)c1nnc[n-]1 ZINC000820447620 587049674 /nfs/dbraw/zinc/04/96/74/587049674.db2.gz ZGHADLMWRBLDQR-MRVPVSSYSA-N 0 3 223.280 0.078 20 0 BCADHN Cn1cc(CCN2C[C@@H]3COC(=O)[C@@H]3C2)cn1 ZINC000860159346 589083424 /nfs/dbraw/zinc/08/34/24/589083424.db2.gz FDLHFQBRAZXWNX-GHMZBOCLSA-N 0 3 235.287 0.067 20 0 BCADHN C[C@@H](NC[C@@H](C)C[C@H](C)O)c1cnnn1C ZINC000820811379 587073965 /nfs/dbraw/zinc/07/39/65/587073965.db2.gz PMEYYAZXIHOPHU-LPEHRKFASA-N 0 3 226.324 0.873 20 0 BCADHN C[C@H](CCO)CN[C@H](C)c1cnnn1C ZINC000820812541 587074130 /nfs/dbraw/zinc/07/41/30/587074130.db2.gz NDLVXNWQFZIRPJ-RKDXNWHRSA-N 0 3 212.297 0.484 20 0 BCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)[N-]OCCN(C)C ZINC000820997904 587086276 /nfs/dbraw/zinc/08/62/76/587086276.db2.gz ZUWKKDNUSIFHON-LLVKDONJSA-N 0 3 243.351 0.469 20 0 BCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)[N-]OCCN(C)C ZINC000820997904 587086278 /nfs/dbraw/zinc/08/62/78/587086278.db2.gz ZUWKKDNUSIFHON-LLVKDONJSA-N 0 3 243.351 0.469 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)N[C@@H]1C=CCC1 ZINC000821072390 587093661 /nfs/dbraw/zinc/09/36/61/587093661.db2.gz AWMPSYUJYKCGOW-ZYHUDNBSSA-N 0 3 241.335 0.317 20 0 BCADHN CC[C@@H](C(=O)N1CCOCC[C@@H]1C)N(C)C ZINC000840411709 587099477 /nfs/dbraw/zinc/09/94/77/587099477.db2.gz VYDFXFRLNYNQLO-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)(O)CCN1CCCN(C=O)CC1 ZINC000821288960 587105187 /nfs/dbraw/zinc/10/51/87/587105187.db2.gz ZTDCMDDTEVBFDY-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN Cc1nn(C)cc1CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167592 589085793 /nfs/dbraw/zinc/08/57/93/589085793.db2.gz IADRLCKKLOUVKY-GHMZBOCLSA-N 0 3 235.287 0.333 20 0 BCADHN C[C@@H]1CC[C@@H](CN2C[C@@H]3COC(=O)[C@@H]3C2)O1 ZINC000860166870 589085826 /nfs/dbraw/zinc/08/58/26/589085826.db2.gz XJVPEIQVPWNWOF-CHWFTXMASA-N 0 3 225.288 0.659 20 0 BCADHN c1n[nH]nc1CCN1CCC2(CC1)OCCO2 ZINC000821354238 587111409 /nfs/dbraw/zinc/11/14/09/587111409.db2.gz FJZIYTHBPNQEEM-UHFFFAOYSA-N 0 3 238.291 0.186 20 0 BCADHN CC1=NO[C@@H](C(=O)NC[C@H](C)N(C)C)C1 ZINC000821522398 587122101 /nfs/dbraw/zinc/12/21/01/587122101.db2.gz ZYQAEAAWZNTLIM-DTWKUNHWSA-N 0 3 213.281 0.218 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)C(C)(C)C ZINC000821571174 587129557 /nfs/dbraw/zinc/12/95/57/587129557.db2.gz DEFRQMAUEAVAKM-SSDOTTSWSA-N 0 3 221.322 0.676 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1COC2(CCC2)C1 ZINC000821892334 587145883 /nfs/dbraw/zinc/14/58/83/587145883.db2.gz GJTOQDTVOIPQNG-JTQLQIEISA-N 0 3 241.335 0.559 20 0 BCADHN CCC[C@H](CC)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000821955675 587147904 /nfs/dbraw/zinc/14/79/04/587147904.db2.gz VTPQVBDZGMGAET-WCQYABFASA-N 0 3 242.363 0.996 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)CN1CCCC1 ZINC000822026033 587149809 /nfs/dbraw/zinc/14/98/09/587149809.db2.gz QJLIPFSUFZHSPE-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN C[N@@H+]1CC[C@@H](CC(=O)[N-]OC2CCOCC2)C1 ZINC000822055054 587150750 /nfs/dbraw/zinc/15/07/50/587150750.db2.gz JSLZPAMADZLXAM-JTQLQIEISA-N 0 3 242.319 0.555 20 0 BCADHN C[N@H+]1CC[C@@H](CC(=O)[N-]OC2CCOCC2)C1 ZINC000822055054 587150751 /nfs/dbraw/zinc/15/07/51/587150751.db2.gz JSLZPAMADZLXAM-JTQLQIEISA-N 0 3 242.319 0.555 20 0 BCADHN CN(C)CCNC(=O)c1cc(Cl)n(C)n1 ZINC000822149040 587156545 /nfs/dbraw/zinc/15/65/45/587156545.db2.gz VVWWUOQDQPKPEQ-UHFFFAOYSA-N 0 3 230.699 0.365 20 0 BCADHN O=C(NCCN1CCCC1)[C@@H]1CCC=CO1 ZINC000822236972 587159513 /nfs/dbraw/zinc/15/95/13/587159513.db2.gz ZEJNYZURNMKXPF-NSHDSACASA-N 0 3 224.304 0.891 20 0 BCADHN C[N@@H+]1CC[C@@H](CC(=O)[N-]OC[C@H]2CCOC2)C1 ZINC000822348174 587163712 /nfs/dbraw/zinc/16/37/12/587163712.db2.gz IXOWVQQZAPNCJD-QWRGUYRKSA-N 0 3 242.319 0.413 20 0 BCADHN C[N@H+]1CC[C@@H](CC(=O)[N-]OC[C@H]2CCOC2)C1 ZINC000822348174 587163714 /nfs/dbraw/zinc/16/37/14/587163714.db2.gz IXOWVQQZAPNCJD-QWRGUYRKSA-N 0 3 242.319 0.413 20 0 BCADHN CCN1CCCN(C(=O)[C@@H]2CCOC2)[C@H](C)C1 ZINC000822568232 587175463 /nfs/dbraw/zinc/17/54/63/587175463.db2.gz BEYQWNAPNIKVQI-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1COCO1 ZINC000822569996 587175586 /nfs/dbraw/zinc/17/55/86/587175586.db2.gz ZZHUBXYTTPZVAF-MNOVXSKESA-N 0 3 242.319 0.348 20 0 BCADHN CN(CC[C@H]1CC1(Cl)Cl)CC(N)=O ZINC000822580305 587176237 /nfs/dbraw/zinc/17/62/37/587176237.db2.gz VNZRMELGSGHYSR-LURJTMIESA-N 0 3 225.119 0.987 20 0 BCADHN C[C@H](C(=O)[N-]OC1CC[NH+](C)CC1)N(C)C ZINC000822724767 587182510 /nfs/dbraw/zinc/18/25/10/587182510.db2.gz WIXNCIOLWOGBRE-SECBINFHSA-N 0 3 229.324 0.079 20 0 BCADHN Cc1cnc(-c2noc([C@@H]3C[C@@H]3N)n2)nc1 ZINC000822836752 587188536 /nfs/dbraw/zinc/18/85/36/587188536.db2.gz YACBBVFWCCMBCI-RQJHMYQMSA-N 0 3 217.232 0.650 20 0 BCADHN CC(C)(C)N1CC[C@H](N[C@@H](CO)C2CC2)C1=O ZINC000822846215 587189451 /nfs/dbraw/zinc/18/94/51/587189451.db2.gz ZPCOKRUANZGDTO-QWRGUYRKSA-N 0 3 240.347 0.746 20 0 BCADHN CCC[C@@H](CC)C(=O)N[C@H](CO)CN(C)C ZINC000822933440 587194150 /nfs/dbraw/zinc/19/41/50/587194150.db2.gz HXXJDRZDCJZASM-MNOVXSKESA-N 0 3 230.352 0.851 20 0 BCADHN C[C@@H]1OCCO[C@@H]1C(=O)NCC1(N(C)C)CC1 ZINC000822937586 587194675 /nfs/dbraw/zinc/19/46/75/587194675.db2.gz MSPHQZAKDWODDD-UWVGGRQHSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@@H](O)CCN1CCC2(CNC(=O)O2)CC1 ZINC000822941230 587194969 /nfs/dbraw/zinc/19/49/69/587194969.db2.gz CROVCXWYBSVDPC-SECBINFHSA-N 0 3 228.292 0.332 20 0 BCADHN C[C@H](O)CCNC(C)(C)C(=O)N1CCCC1 ZINC000822996131 587197132 /nfs/dbraw/zinc/19/71/32/587197132.db2.gz HNIRZSRLSUUVSC-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@@H]1CN(C)CCN1CC[C@@H]1CCOC1=O ZINC000823199849 587208068 /nfs/dbraw/zinc/20/80/68/587208068.db2.gz IFEDHMIOTQMHMN-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](C)OCc1nc(N2CCNCC2)no1 ZINC000823331100 587216931 /nfs/dbraw/zinc/21/69/31/587216931.db2.gz YMXCGMGGYKPEOG-SECBINFHSA-N 0 3 240.307 0.794 20 0 BCADHN COCC1(c2nc(N3CCNCC3)no2)CC1 ZINC000823334954 587217026 /nfs/dbraw/zinc/21/70/26/587217026.db2.gz ODSOUTGZMHWTDN-UHFFFAOYSA-N 0 3 238.291 0.157 20 0 BCADHN CCN(C(=O)C(OC)OC)C1CCN(C)CC1 ZINC000823348852 587217258 /nfs/dbraw/zinc/21/72/58/587217258.db2.gz XQLCOKLSWAMGPJ-UHFFFAOYSA-N 0 3 244.335 0.548 20 0 BCADHN CC(C)[C@@H](CO)O[N-]C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000823381314 587218830 /nfs/dbraw/zinc/21/88/30/587218830.db2.gz OLAXKSFCJGFVQP-WDEREUQCSA-N 0 3 244.335 0.393 20 0 BCADHN CC(C)[C@@H](CO)O[N-]C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000823381314 587218831 /nfs/dbraw/zinc/21/88/31/587218831.db2.gz OLAXKSFCJGFVQP-WDEREUQCSA-N 0 3 244.335 0.393 20 0 BCADHN O[C@@H](CN1CCC[C@@H](n2ccnn2)C1)C1CC1 ZINC000823468918 587224697 /nfs/dbraw/zinc/22/46/97/587224697.db2.gz LNWBWGGJZYTZMI-NEPJUHHUSA-N 0 3 236.319 0.686 20 0 BCADHN CCn1nc(C)c(CN[C@@H]2CCCN(C)C2)n1 ZINC000823698694 587236838 /nfs/dbraw/zinc/23/68/38/587236838.db2.gz XGYCTDIZUNPNEV-LLVKDONJSA-N 0 3 237.351 0.790 20 0 BCADHN CN(CC(=O)N[C@H]1CCOC1=O)CC(C)(C)C ZINC000824045769 587251552 /nfs/dbraw/zinc/25/15/52/587251552.db2.gz DQPUPUBNBFMDSO-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN CCn1nc(C)c(CNC[C@H](C)N(C)C)n1 ZINC000824091126 587254821 /nfs/dbraw/zinc/25/48/21/587254821.db2.gz BXAKMGYTMRKROZ-VIFPVBQESA-N 0 3 225.340 0.646 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NOCC(C)(C)O ZINC000824240882 587262372 /nfs/dbraw/zinc/26/23/72/587262372.db2.gz PBJFYPQCRCNFKO-SECBINFHSA-N 0 3 245.323 0.082 20 0 BCADHN CCN(C(=O)CN1CCCC1)[C@H]1CCN(C)C1 ZINC000824400767 587269543 /nfs/dbraw/zinc/26/95/43/587269543.db2.gz DNISQURUTDIOFB-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CON(C)CCCNC(=O)C1(N(C)C)CCC1 ZINC000824542568 587275111 /nfs/dbraw/zinc/27/51/11/587275111.db2.gz TUJGOMGPRMUZGU-UHFFFAOYSA-N 0 3 243.351 0.470 20 0 BCADHN O=C(CCCF)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000824734060 587284625 /nfs/dbraw/zinc/28/46/25/587284625.db2.gz UZGGGMAIHAJFJZ-QWRGUYRKSA-N 0 3 244.310 0.716 20 0 BCADHN CCN(C(=O)[C@@H]1C[C@H]1OC)[C@H]1CCN(C)C1 ZINC000824835272 587289091 /nfs/dbraw/zinc/28/90/91/587289091.db2.gz PHMKEQWYTJHEPF-HBNTYKKESA-N 0 3 226.320 0.574 20 0 BCADHN C[C@@]1(NC(=O)[C@H]2CCOC2)CN2CCC1CC2 ZINC000824902663 587292376 /nfs/dbraw/zinc/29/23/76/587292376.db2.gz ZIRRKIFONNHYKZ-GXFFZTMASA-N 0 3 238.331 0.623 20 0 BCADHN CN(CCO)CCN(C)C(=O)CCC1(C)CC1 ZINC000825526759 587323580 /nfs/dbraw/zinc/32/35/80/587323580.db2.gz IXFMJZLLTZYDJO-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN CN(C(=O)[C@]1(F)CCNC1)C1CCOCC1 ZINC000825541354 587324391 /nfs/dbraw/zinc/32/43/91/587324391.db2.gz BBHSLJMDDHGVCY-NSHDSACASA-N 0 3 230.283 0.325 20 0 BCADHN CC1=NO[C@@H](C(=O)N2CCC[C@H]2CN(C)C)C1 ZINC000825567571 587325472 /nfs/dbraw/zinc/32/54/72/587325472.db2.gz KCFNNCMQBUVQOC-WDEREUQCSA-N 0 3 239.319 0.704 20 0 BCADHN CON(C)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000825733074 587334795 /nfs/dbraw/zinc/33/47/95/587334795.db2.gz OTHOEOZXRXKSEE-SNVBAGLBSA-N 0 3 226.251 0.888 20 0 BCADHN C[C@H]1C[C@@H](NCCN(C)C(=O)[O-])CC[N@@H+]1C ZINC000825853021 587341570 /nfs/dbraw/zinc/34/15/70/587341570.db2.gz SPGRZNHLCVWYLY-UWVGGRQHSA-N 0 3 229.324 0.669 20 0 BCADHN C[C@H]1C[C@@H](NCCN(C)C(=O)[O-])CC[N@H+]1C ZINC000825853021 587341571 /nfs/dbraw/zinc/34/15/71/587341571.db2.gz SPGRZNHLCVWYLY-UWVGGRQHSA-N 0 3 229.324 0.669 20 0 BCADHN C[NH+](C)C1CN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000825856610 587341664 /nfs/dbraw/zinc/34/16/64/587341664.db2.gz YKWQCHYAZSMPTO-UHFFFAOYSA-N 0 3 245.290 0.012 20 0 BCADHN COC/C=C\C(=O)NCCN1CC[C@H](C)C1 ZINC000826722383 587359889 /nfs/dbraw/zinc/35/98/89/587359889.db2.gz OYVRINWCKDBALA-BYCRGOAPSA-N 0 3 226.320 0.647 20 0 BCADHN CCC[C@H](O)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000826762060 587361314 /nfs/dbraw/zinc/36/13/14/587361314.db2.gz DMJHQYJYORUDNQ-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000826761831 587361384 /nfs/dbraw/zinc/36/13/84/587361384.db2.gz BGTFVQBNBFLDAN-OUAUKWLOSA-N 0 3 226.320 0.478 20 0 BCADHN CC[C@](C)(O)C(=O)NC[C@H]1CCCN1C ZINC000827136527 587370817 /nfs/dbraw/zinc/37/08/17/587370817.db2.gz QWRCLGMXUNTLLA-KOLCDFICSA-N 0 3 214.309 0.358 20 0 BCADHN OCC1(O)CCN(C[C@H]2CCC=CO2)CC1 ZINC000827146931 587371154 /nfs/dbraw/zinc/37/11/54/587371154.db2.gz KYPRFHBIEBLVJK-LLVKDONJSA-N 0 3 227.304 0.498 20 0 BCADHN CC(C)(N)C(=O)NCCCNc1ncccn1 ZINC000827215104 587372958 /nfs/dbraw/zinc/37/29/58/587372958.db2.gz PCOGMUUAYSESJD-UHFFFAOYSA-N 0 3 237.307 0.132 20 0 BCADHN CC[C@@H](N)C(=O)NCCCNc1ncccn1 ZINC000827214782 587372997 /nfs/dbraw/zinc/37/29/97/587372997.db2.gz KCCSTZIOERTLBJ-SECBINFHSA-N 0 3 237.307 0.132 20 0 BCADHN O=C(CNC1CC1)NCCCNc1ncccn1 ZINC000827215473 587373037 /nfs/dbraw/zinc/37/30/37/587373037.db2.gz WQSLRTZLEOLCME-UHFFFAOYSA-N 0 3 249.318 0.147 20 0 BCADHN CN(C(=O)Cc1ncc[nH]1)[C@H]1CN2CCC1CC2 ZINC000827264894 587374694 /nfs/dbraw/zinc/37/46/94/587374694.db2.gz DCNUNEHHTMASTF-NSHDSACASA-N 0 3 248.330 0.505 20 0 BCADHN CN1CCN(C[C@H]2CCC=CO2)CCC1=O ZINC000827358319 587378369 /nfs/dbraw/zinc/37/83/69/587378369.db2.gz AQKPEYIASJJZCT-LLVKDONJSA-N 0 3 224.304 0.843 20 0 BCADHN CC[C@H](N)C(=O)N(C)Cc1cccc(C(N)=O)c1 ZINC000827513437 587385140 /nfs/dbraw/zinc/38/51/40/587385140.db2.gz FIIAKABAGNZPSJ-NSHDSACASA-N 0 3 249.314 0.481 20 0 BCADHN CN(Cc1cccc(C(N)=O)c1)C(=O)C(C)(C)N ZINC000827513411 587385285 /nfs/dbraw/zinc/38/52/85/587385285.db2.gz CLQFUHDGTLMSPO-UHFFFAOYSA-N 0 3 249.314 0.481 20 0 BCADHN Cc1ncc(CNC(=O)[C@@]2(F)CCNC2)s1 ZINC000827520179 587385822 /nfs/dbraw/zinc/38/58/22/587385822.db2.gz XCNWYRDPGADXSV-SNVBAGLBSA-N 0 3 243.307 0.769 20 0 BCADHN CC(C(=O)NC[C@](C)(O)CN(C)C)=C1CCC1 ZINC000827606239 587391992 /nfs/dbraw/zinc/39/19/92/587391992.db2.gz HLWPCFGRQVVHIB-ZDUSSCGKSA-N 0 3 240.347 0.916 20 0 BCADHN CC[C@@](C)(O)C(=O)NC[C@@H]1CCCN1C ZINC000827625940 587392953 /nfs/dbraw/zinc/39/29/53/587392953.db2.gz QWRCLGMXUNTLLA-GXSJLCMTSA-N 0 3 214.309 0.358 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000827625951 587392982 /nfs/dbraw/zinc/39/29/82/587392982.db2.gz RDSUBCKRZXJMNP-IVZWLZJFSA-N 0 3 212.293 0.232 20 0 BCADHN CCN(CCC[C@H]1CCOC1)CC(=O)NC ZINC000827803317 587403033 /nfs/dbraw/zinc/40/30/33/587403033.db2.gz PNIULIIFZCOKAW-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN COC(=O)CCN(CC[S@@](C)=O)C(C)C ZINC000827813402 587404220 /nfs/dbraw/zinc/40/42/20/587404220.db2.gz RATGRQWPESBRKW-OAHLLOKOSA-N 0 3 235.349 0.638 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1nc(C2CC2)no1 ZINC000827837524 587405332 /nfs/dbraw/zinc/40/53/32/587405332.db2.gz IGUYQBSLTLSDSE-SECBINFHSA-N 0 3 238.291 0.547 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CO)C1 ZINC000827864491 587405688 /nfs/dbraw/zinc/40/56/88/587405688.db2.gz MZRPHKOWVCVPAX-TUAOUCFPSA-N 0 3 240.347 0.746 20 0 BCADHN CN(CC[S@@](C)=O)C[C@H]1CCCOC1 ZINC000827913952 587409631 /nfs/dbraw/zinc/40/96/31/587409631.db2.gz UCLIPWLCNAOZDN-QMTHXVAHSA-N 0 3 219.350 0.723 20 0 BCADHN COCC1CCN(CC[S@](C)=O)CC1 ZINC000827919747 587409805 /nfs/dbraw/zinc/40/98/05/587409805.db2.gz OPHDWAXOTNGZCR-AWEZNQCLSA-N 0 3 219.350 0.723 20 0 BCADHN COC[C@H]1CCN(CC[S@](C)=O)C1 ZINC000827936184 587411027 /nfs/dbraw/zinc/41/10/27/587411027.db2.gz GIBNUXXMFZCPFV-ZANVPECISA-N 0 3 205.323 0.333 20 0 BCADHN COC[C@@H]1CCN(CC[S@@](C)=O)C1 ZINC000827936181 587411197 /nfs/dbraw/zinc/41/11/97/587411197.db2.gz GIBNUXXMFZCPFV-NOZJJQNGSA-N 0 3 205.323 0.333 20 0 BCADHN CNC(=O)C1(NCC[S@@](C)=O)CCCC1 ZINC000828066300 587418865 /nfs/dbraw/zinc/41/88/65/587418865.db2.gz JOLOZFAYAJSYLQ-OAHLLOKOSA-N 0 3 232.349 0.013 20 0 BCADHN Cc1ccccc1[C@H](CO)NCC[S@@](C)=O ZINC000828212075 587424136 /nfs/dbraw/zinc/42/41/36/587424136.db2.gz OPPYHLRYKNUSHD-BLLLJJGKSA-N 0 3 241.356 0.997 20 0 BCADHN Cn1cc(C(C)(C)NCC[S@@](C)=O)cn1 ZINC000828252412 587428159 /nfs/dbraw/zinc/42/81/59/587428159.db2.gz ULEWQXWCXOYSND-OAHLLOKOSA-N 0 3 229.349 0.623 20 0 BCADHN COC(=O)N1CCC[C@@H](NC(=O)C(C)(C)N)C1 ZINC000828329242 587435338 /nfs/dbraw/zinc/43/53/38/587435338.db2.gz OSVJXUNUKMKKPE-MRVPVSSYSA-N 0 3 243.307 0.071 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1CCCN(C(=O)OC)C1 ZINC000828329275 587435407 /nfs/dbraw/zinc/43/54/07/587435407.db2.gz PJTOWQSLZPZICX-DTWKUNHWSA-N 0 3 243.307 0.071 20 0 BCADHN COCC[C@]1(NCC[S@](C)=O)CCOC1 ZINC000828439402 587442358 /nfs/dbraw/zinc/44/23/58/587442358.db2.gz GWRAKFXMVQPIKR-BONVTDFDSA-N 0 3 235.349 0.150 20 0 BCADHN C[C@@H]1C[C@@H](N2CCCC2)CN1CC[S@](C)=O ZINC000828525749 587447495 /nfs/dbraw/zinc/44/74/95/587447495.db2.gz ZSNGPVTUBJSHOP-HSMVNMDESA-N 0 3 244.404 0.924 20 0 BCADHN CCC[C@@]1(CO)CCN(CC[S@@](C)=O)C1 ZINC000828550115 587450157 /nfs/dbraw/zinc/45/01/57/587450157.db2.gz QCZOGEVKWYRBNV-IAQYHMDHSA-N 0 3 233.377 0.849 20 0 BCADHN CO[C@@H]1CCN(CC[S@@](C)=O)C[C@@H]1C ZINC000828592730 587452239 /nfs/dbraw/zinc/45/22/39/587452239.db2.gz JTZOCIDSHZSJPM-IMSIIYSGSA-N 0 3 219.350 0.722 20 0 BCADHN CO[C@@H]1CCN(CC[S@](C)=O)C[C@H]1C ZINC000828592732 587452283 /nfs/dbraw/zinc/45/22/83/587452283.db2.gz JTZOCIDSHZSJPM-RULNRJAQSA-N 0 3 219.350 0.722 20 0 BCADHN CN(CC[S@@](C)=O)C[C@@H]1CCCN1C ZINC000828634030 587454951 /nfs/dbraw/zinc/45/49/51/587454951.db2.gz ZBTBBQZJLIAIPD-IINYFYTJSA-N 0 3 218.366 0.391 20 0 BCADHN C[S@@](=O)CCN1CCC[C@H](CCO)CC1 ZINC000828631435 587455318 /nfs/dbraw/zinc/45/53/18/587455318.db2.gz FIQMBSLKUFWSIL-XHDPSFHLSA-N 0 3 233.377 0.849 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)CC1(O)CCC1 ZINC000828840922 587466254 /nfs/dbraw/zinc/46/62/54/587466254.db2.gz ZTCKMUWOFOKVAR-LLVKDONJSA-N 0 3 240.347 0.892 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)c1ccnn1C)N(C)C ZINC000828937679 587473517 /nfs/dbraw/zinc/47/35/17/587473517.db2.gz BXTIHVUHABMAPC-NXEZZACHSA-N 0 3 238.335 0.938 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)c1ccnn1C ZINC000828954377 587475549 /nfs/dbraw/zinc/47/55/49/587475549.db2.gz TUKTZRZQEMBKJP-JTQLQIEISA-N 0 3 238.335 0.939 20 0 BCADHN CC(=O)[C@H](OC(=O)C1CCN(C)C1=O)C(C)C ZINC000829017020 587478871 /nfs/dbraw/zinc/47/88/71/587478871.db2.gz QPKQWGAHPPGYAV-VHSXEESVSA-N 0 3 241.287 0.622 20 0 BCADHN C[C@H](O)C(=O)OCCCSCCN(C)C ZINC000829290687 587491674 /nfs/dbraw/zinc/49/16/74/587491674.db2.gz FCKTYIGQLFKIFO-VIFPVBQESA-N 0 3 235.349 0.595 20 0 BCADHN CCO[C@@H]1COC[C@H]1Nc1cc(C)nc(N)n1 ZINC000829425626 587496619 /nfs/dbraw/zinc/49/66/19/587496619.db2.gz FYAAXBZJCCUTNE-RKDXNWHRSA-N 0 3 238.291 0.583 20 0 BCADHN C[C@H]1CCN(CCNC(=O)Cc2ncc[nH]2)C1 ZINC000829441826 587497379 /nfs/dbraw/zinc/49/73/79/587497379.db2.gz RRGLMMWOJAIKJB-JTQLQIEISA-N 0 3 236.319 0.410 20 0 BCADHN CN(CCO)CCNC(=O)[C@]1(C)C=CCC1 ZINC000829756524 587514237 /nfs/dbraw/zinc/51/42/37/587514237.db2.gz GAUYCXUUWGYXAM-GFCCVEGCSA-N 0 3 226.320 0.383 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)Cc2ncc[nH]2)CN1C1CC1 ZINC000829864003 587525885 /nfs/dbraw/zinc/52/58/85/587525885.db2.gz UZQGRJGWASYZRT-ZJUUUORDSA-N 0 3 248.330 0.694 20 0 BCADHN Cc1nonc1CNC(=O)[C@H](C)NC1CC1 ZINC000829865517 587526157 /nfs/dbraw/zinc/52/61/57/587526157.db2.gz MZZMBZYGVDFCPP-ZETCQYMHSA-N 0 3 224.264 0.135 20 0 BCADHN CC1(C)CN(C(=O)[C@]2(F)CCNC2)CCCO1 ZINC000829882814 587527315 /nfs/dbraw/zinc/52/73/15/587527315.db2.gz BVMYVFNESOLIMJ-LBPRGKRZSA-N 0 3 244.310 0.716 20 0 BCADHN C[C@@H]1[C@H](NC(=O)/C=C\c2cn(C)cn2)CCN1C ZINC000830111165 587535998 /nfs/dbraw/zinc/53/59/98/587535998.db2.gz LWWUBNXOOQGEJG-ZHLVKLTDSA-N 0 3 248.330 0.642 20 0 BCADHN C[C@H]1[C@@H](NC(=O)CC2(C)COC2)CCN1C ZINC000830111114 587536415 /nfs/dbraw/zinc/53/64/15/587536415.db2.gz LLKBEQBSCYNJHV-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000830190085 587540607 /nfs/dbraw/zinc/54/06/07/587540607.db2.gz SLYLYIJZIALIBG-KOLCDFICSA-N 0 3 230.283 0.183 20 0 BCADHN COC[C@H](NC(=O)[C@@]1(F)CCNC1)C(C)C ZINC000830428052 587551259 /nfs/dbraw/zinc/55/12/59/587551259.db2.gz ATVUZZSMDZVORW-GXSJLCMTSA-N 0 3 232.299 0.475 20 0 BCADHN CN(C)C(=O)O[C@@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000830493394 587554411 /nfs/dbraw/zinc/55/44/11/587554411.db2.gz ZHTRQCWOGQMGSS-WDEREUQCSA-N 0 3 242.319 0.938 20 0 BCADHN C[C@H](CO)CN1CCC[C@H](OC(=O)N(C)C)C1 ZINC000830584064 587559229 /nfs/dbraw/zinc/55/92/29/587559229.db2.gz BGFBBXWDZFLFLM-QWRGUYRKSA-N 0 3 244.335 0.777 20 0 BCADHN COc1ccc(NC(=O)[C@@H]2C[C@@H]2N)nc1 ZINC000830592499 587559427 /nfs/dbraw/zinc/55/94/27/587559427.db2.gz YTIBDOJSZOICIA-SFYZADRCSA-N 0 3 207.233 0.376 20 0 BCADHN COc1ccc(NC(=O)[C@@]2(F)CCNC2)nc1 ZINC000830591191 587559456 /nfs/dbraw/zinc/55/94/56/587559456.db2.gz BPTVINIKJOHRLN-LLVKDONJSA-N 0 3 239.250 0.730 20 0 BCADHN CN(C)CCCOC(=O)[C@H]1CCC(=O)C1 ZINC000830892442 587575811 /nfs/dbraw/zinc/57/58/11/587575811.db2.gz VITUXXDDROXCEU-VIFPVBQESA-N 0 3 213.277 0.851 20 0 BCADHN O=C(NCc1ccc(F)cn1)[C@@]1(F)CCNC1 ZINC000831369251 587602064 /nfs/dbraw/zinc/60/20/64/587602064.db2.gz MEOIMCORKUKCFY-LLVKDONJSA-N 0 3 241.241 0.539 20 0 BCADHN CCC[C@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000831471467 587611777 /nfs/dbraw/zinc/61/17/77/587611777.db2.gz XHNILFHIUAVIDA-JQWIXIFHSA-N 0 3 244.310 0.716 20 0 BCADHN O=C(N[C@H]1CCCOCC1)[C@@]1(F)CCNC1 ZINC000831517242 587616136 /nfs/dbraw/zinc/61/61/36/587616136.db2.gz AGKUQFKMABYAOY-GXSJLCMTSA-N 0 3 230.283 0.373 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ncccn1 ZINC000831539965 587617819 /nfs/dbraw/zinc/61/78/19/587617819.db2.gz CDCUEHJNROSHLJ-DTWKUNHWSA-N 0 3 220.276 0.299 20 0 BCADHN CCO[C@@H](CNC(=O)[C@@H](C)N(C)C)CN(C)C ZINC000831703434 587628502 /nfs/dbraw/zinc/62/85/02/587628502.db2.gz UDKDCMFCLLTYIL-MNOVXSKESA-N 0 3 245.367 0.019 20 0 BCADHN CCO[C@@H](CNC(=O)C(C)(C)CO)CN(C)C ZINC000831723305 587628842 /nfs/dbraw/zinc/62/88/42/587628842.db2.gz GEHIZMMQPQWOMD-JTQLQIEISA-N 0 3 246.351 0.088 20 0 BCADHN CCO[C@H](CNC(=O)CCOC)CN(C)C ZINC000831751557 587629718 /nfs/dbraw/zinc/62/97/18/587629718.db2.gz NBUPTNQXCJMWJL-SNVBAGLBSA-N 0 3 232.324 0.106 20 0 BCADHN CC[C@@H]1C[C@H](NC(=O)[C@]2(F)CCNC2)CCO1 ZINC000831741833 587629754 /nfs/dbraw/zinc/62/97/54/587629754.db2.gz QFVVEPNDEBRXNM-FOGDFJRCSA-N 0 3 244.310 0.762 20 0 BCADHN CCO[C@H](CNC(=O)c1cnc[nH]1)CN(C)C ZINC000831752104 587629907 /nfs/dbraw/zinc/62/99/07/587629907.db2.gz VAVYZSZVJCQOLI-SECBINFHSA-N 0 3 240.307 0.106 20 0 BCADHN CCO[C@H](CNC(=O)CCCOC)CN(C)C ZINC000831758019 587630187 /nfs/dbraw/zinc/63/01/87/587630187.db2.gz UKQWXMJQALRWRD-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN CCO[C@@H](CNC(=O)CSC)CN(C)C ZINC000831777384 587631616 /nfs/dbraw/zinc/63/16/16/587631616.db2.gz YLHOKVQBFMFPPA-VIFPVBQESA-N 0 3 234.365 0.432 20 0 BCADHN CCCn1nccc1NC(=O)[C@]1(F)CCNC1 ZINC000831822553 587633204 /nfs/dbraw/zinc/63/32/04/587633204.db2.gz JLBVOHAKWJVIAF-NSHDSACASA-N 0 3 240.282 0.933 20 0 BCADHN CNCC(=O)Nc1n[nH]c(C2CC2)c1C ZINC000831876250 587635206 /nfs/dbraw/zinc/63/52/06/587635206.db2.gz PWQYCTKSGBIIRN-UHFFFAOYSA-N 0 3 208.265 0.753 20 0 BCADHN NS(=O)(=O)CCN1CCCCCCCC1 ZINC000831932385 587637002 /nfs/dbraw/zinc/63/70/02/587637002.db2.gz CPGLAUHLNMYFHJ-UHFFFAOYSA-N 0 3 234.365 0.931 20 0 BCADHN O=C(N[C@@H]1CCCC[C@H]1O)[C@@]1(F)CCNC1 ZINC000831922052 587637039 /nfs/dbraw/zinc/63/70/39/587637039.db2.gz XTLVRUCFGHVAQX-FXPVBKGRSA-N 0 3 230.283 0.108 20 0 BCADHN CCOC[C@H](NC(=O)[C@@]1(F)CCNC1)C(C)C ZINC000831961616 587639297 /nfs/dbraw/zinc/63/92/97/587639297.db2.gz YMISHLLGRABHCX-CMPLNLGQSA-N 0 3 246.326 0.865 20 0 BCADHN COCCCO[N-]C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000831982215 587641132 /nfs/dbraw/zinc/64/11/32/587641132.db2.gz VKKRHGKGHBNCNM-NXEZZACHSA-N 0 3 230.308 0.411 20 0 BCADHN COCCCO[N-]C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000831982215 587641133 /nfs/dbraw/zinc/64/11/33/587641133.db2.gz VKKRHGKGHBNCNM-NXEZZACHSA-N 0 3 230.308 0.411 20 0 BCADHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(OC)OC ZINC000832086542 587644813 /nfs/dbraw/zinc/64/48/13/587644813.db2.gz YUSZNIZJTXZBDP-ZJUUUORDSA-N 0 3 245.319 0.927 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCOC(=O)C1CC1 ZINC000832181955 587648472 /nfs/dbraw/zinc/64/84/72/587648472.db2.gz AYAVKQRBLRKFLP-VIFPVBQESA-N 0 3 228.292 0.039 20 0 BCADHN CCOC(CN1CC[C@@H](O)[C@H]1C)OCC ZINC000832225253 587651552 /nfs/dbraw/zinc/65/15/52/587651552.db2.gz LDLVFQHCZDZFFY-NXEZZACHSA-N 0 3 217.309 0.841 20 0 BCADHN CN(C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCC(=O)C1 ZINC000832490963 587662951 /nfs/dbraw/zinc/66/29/51/587662951.db2.gz SEMBOJHRSGKYHA-MVWJERBFSA-N 0 3 238.331 0.955 20 0 BCADHN CCC[C@H](O)CCNC(=O)[C@H](CC)N(C)C ZINC000832657085 587674802 /nfs/dbraw/zinc/67/48/02/587674802.db2.gz NCPWPCGWBXIZKE-QWRGUYRKSA-N 0 3 230.352 0.994 20 0 BCADHN CCC[C@H](O)CCNC(=O)Cc1nc[nH]c1C ZINC000832667614 587676276 /nfs/dbraw/zinc/67/62/76/587676276.db2.gz LLLPANZIYXNIFX-JTQLQIEISA-N 0 3 239.319 0.928 20 0 BCADHN CC1=NO[C@@H](C(=O)NCC2(N(C)C)CCC2)C1 ZINC000832696405 587677724 /nfs/dbraw/zinc/67/77/24/587677724.db2.gz JSSFNUFUIAORBA-SNVBAGLBSA-N 0 3 239.319 0.752 20 0 BCADHN CON(C)C(=O)CN(C)[C@H]1CCN(C(C)C)C1 ZINC000832779119 587688592 /nfs/dbraw/zinc/68/85/92/587688592.db2.gz UNQGFALUUVMIDM-NSHDSACASA-N 0 3 243.351 0.421 20 0 BCADHN C[C@@H](CC(=O)N1CCN(C)C[C@H]1CN)C1CC1 ZINC000834299738 587750859 /nfs/dbraw/zinc/75/08/59/587750859.db2.gz ZAOYZWQSYTYCLX-CMPLNLGQSA-N 0 3 239.363 0.524 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)C(C)(C)F)C[C@@H]21 ZINC000834310006 587750990 /nfs/dbraw/zinc/75/09/90/587750990.db2.gz AZZQSVGVHFWCFO-BDAKNGLRSA-N 0 3 214.284 0.897 20 0 BCADHN C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(N)cc1[O-] ZINC000834365590 587753311 /nfs/dbraw/zinc/75/33/11/587753311.db2.gz IBQQUUJXTVVTTQ-RKDXNWHRSA-N 0 3 249.314 0.784 20 0 BCADHN CN(C)C[C@]1(O)CCCN(C(=O)C2(F)CC2)C1 ZINC000834569906 587759423 /nfs/dbraw/zinc/75/94/23/587759423.db2.gz VXXFHUTZSUUXFN-LLVKDONJSA-N 0 3 244.310 0.404 20 0 BCADHN CN(C)C[C@@]1(O)CCCN(C(=O)N(C)C)C1 ZINC000834568873 587759492 /nfs/dbraw/zinc/75/94/92/587759492.db2.gz DYSCBTXTNDEUHP-NSHDSACASA-N 0 3 229.324 0.057 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2ccc(N)cc2[O-])CC[NH2+]1 ZINC000834678297 587763769 /nfs/dbraw/zinc/76/37/69/587763769.db2.gz UFBBYCHWLMFRDI-WPRPVWTQSA-N 0 3 249.314 0.845 20 0 BCADHN O=C(NCC12CCCN1CCC2)C(F)F ZINC000834754867 587765806 /nfs/dbraw/zinc/76/58/06/587765806.db2.gz LNQVPXNUYWHDLT-UHFFFAOYSA-N 0 3 218.247 0.996 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@H]1C[C@H](O)C1)N(C)C ZINC000834762829 587766339 /nfs/dbraw/zinc/76/63/39/587766339.db2.gz IHBJKVQERQHSEG-GMTAPVOTSA-N 0 3 228.336 0.460 20 0 BCADHN C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(N)cc1[O-] ZINC000834821150 587767667 /nfs/dbraw/zinc/76/76/67/587767667.db2.gz KUJGVQSLVPOZTG-RQJHMYQMSA-N 0 3 223.276 0.440 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CNCCC1(F)F ZINC000834840030 587768127 /nfs/dbraw/zinc/76/81/27/587768127.db2.gz AYTXFKIEJJUETE-BWZBUEFSSA-N 0 3 218.247 0.756 20 0 BCADHN CO[C@H](C)CC(=O)N[C@H]1CNCCC1(F)F ZINC000834846245 587768378 /nfs/dbraw/zinc/76/83/78/587768378.db2.gz PWBOXKPAJQOUOH-SFYZADRCSA-N 0 3 236.262 0.525 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)c1cocn1 ZINC000834846534 587768545 /nfs/dbraw/zinc/76/85/45/587768545.db2.gz ZEWGRNDDJBDLBJ-ZETCQYMHSA-N 0 3 231.202 0.402 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)c1ccnnc1 ZINC000834845508 587768641 /nfs/dbraw/zinc/76/86/41/587768641.db2.gz BFHGVBMCDNEDII-MRVPVSSYSA-N 0 3 242.229 0.204 20 0 BCADHN CN1CCC[C@@H](NC(=O)NC(CF)CF)C1 ZINC000836344779 587831147 /nfs/dbraw/zinc/83/11/47/587831147.db2.gz BTMPZQYJJVARDX-MRVPVSSYSA-N 0 3 235.278 0.687 20 0 BCADHN CSCCONC(=O)NC[C@H](C)N(C)C ZINC000836436670 587833336 /nfs/dbraw/zinc/83/33/36/587833336.db2.gz KVKCWOZOBPDZHP-QMMMGPOBSA-N 0 3 235.353 0.530 20 0 BCADHN CC[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)O ZINC000836863281 587840436 /nfs/dbraw/zinc/84/04/36/587840436.db2.gz WPYOHCIVAPGFCD-ZJUUUORDSA-N 0 3 228.336 0.746 20 0 BCADHN CN(C)CC(C)(C)NC(=O)C1=COCCO1 ZINC000837240627 587860652 /nfs/dbraw/zinc/86/06/52/587860652.db2.gz CCFWLVKQHPURJN-UHFFFAOYSA-N 0 3 228.292 0.331 20 0 BCADHN COC/C=C/C(=O)NCC1=CCN(C)CC1 ZINC000867229753 587867458 /nfs/dbraw/zinc/86/74/58/587867458.db2.gz KNDOPSUZLLJDAM-ONEGZZNKSA-N 0 3 224.304 0.567 20 0 BCADHN CN(C)C1(C(=O)N2CCCOC2)CCC1 ZINC000837618254 587886192 /nfs/dbraw/zinc/88/61/92/587886192.db2.gz IGZCGJHIRGDRII-UHFFFAOYSA-N 0 3 212.293 0.677 20 0 BCADHN CCC(=O)[C@H](C)OC(=O)C1CCCN(C)C1=O ZINC000837955854 587905670 /nfs/dbraw/zinc/90/56/70/587905670.db2.gz JIHJBPCACYUISE-DTWKUNHWSA-N 0 3 241.287 0.766 20 0 BCADHN CN(C)CCNC(=S)N[C@H]1CC1(C)C ZINC000840855974 587926083 /nfs/dbraw/zinc/92/60/83/587926083.db2.gz PQAZZVPZIULTQK-QMMMGPOBSA-N 0 3 215.366 0.811 20 0 BCADHN COC(C)(C)[C@@H](C)NCCS(=O)(=O)C1CC1 ZINC000840878106 587927765 /nfs/dbraw/zinc/92/77/65/587927765.db2.gz APAZNCVGOAEOMA-SECBINFHSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@H]1C[C@@H]1CNCCS(=O)(=O)C1CC1 ZINC000840965395 587932466 /nfs/dbraw/zinc/93/24/66/587932466.db2.gz FQGHGCBLJMZPPN-DTWKUNHWSA-N 0 3 217.334 0.809 20 0 BCADHN COc1cccc(C(=O)NCC2(N(C)C)CC2)n1 ZINC000841454527 587955501 /nfs/dbraw/zinc/95/55/01/587955501.db2.gz AVYAVQCOCUKIOE-UHFFFAOYSA-N 0 3 249.314 0.914 20 0 BCADHN CN(C)C1(CNC(=O)c2nccn2C)CC1 ZINC000841718577 587973208 /nfs/dbraw/zinc/97/32/08/587973208.db2.gz TWAWDVNXTOTEHI-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccc(N)cc2O)[C@@H]1C ZINC000841850247 587977863 /nfs/dbraw/zinc/97/78/63/587977863.db2.gz GIYPXUWDCKABBQ-RKDXNWHRSA-N 0 3 249.314 0.797 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCNCC1(C)C ZINC000841849136 587978034 /nfs/dbraw/zinc/97/80/34/587978034.db2.gz WFTLGIXVVSONIU-VIFPVBQESA-N 0 3 225.336 0.337 20 0 BCADHN C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000841851519 587978296 /nfs/dbraw/zinc/97/82/96/587978296.db2.gz MAWQMFLLVJMNQE-KCJUWKMLSA-N 0 3 249.314 0.702 20 0 BCADHN CCn1nncc1CNCCN1CCC[C@@H]1C ZINC000841869597 587979228 /nfs/dbraw/zinc/97/92/28/587979228.db2.gz QRCYCNJGZNYHGN-NSHDSACASA-N 0 3 237.351 0.872 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)NOC1CCCC1 ZINC000841868297 587979500 /nfs/dbraw/zinc/97/95/00/587979500.db2.gz SZNOJJSOYTZJTF-JTQLQIEISA-N 0 3 243.307 0.148 20 0 BCADHN CSCCONC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000841889534 587981121 /nfs/dbraw/zinc/98/11/21/587981121.db2.gz CCRVCMDOEJJTOA-BDAKNGLRSA-N 0 3 247.364 0.673 20 0 BCADHN C[C@H]1NCCN(C(=O)NOCC2CC2)[C@@H]1C ZINC000841906336 587983528 /nfs/dbraw/zinc/98/35/28/587983528.db2.gz GEAKSOHOOCTVPT-RKDXNWHRSA-N 0 3 227.308 0.720 20 0 BCADHN CC[C@H](C)CONC(=O)NC[C@@H]1CNCCO1 ZINC000841910795 587983817 /nfs/dbraw/zinc/98/38/17/587983817.db2.gz JHOPNXFCWZRHKZ-UWVGGRQHSA-N 0 3 245.323 0.252 20 0 BCADHN CC[C@H](C)CONC(=O)NC[C@H]1CNCCO1 ZINC000841910796 587983848 /nfs/dbraw/zinc/98/38/48/587983848.db2.gz JHOPNXFCWZRHKZ-VHSXEESVSA-N 0 3 245.323 0.252 20 0 BCADHN CC[C@@H](C)CONC(=O)NC[C@@H]1CNCCO1 ZINC000841910797 587984072 /nfs/dbraw/zinc/98/40/72/587984072.db2.gz JHOPNXFCWZRHKZ-ZJUUUORDSA-N 0 3 245.323 0.252 20 0 BCADHN O=C(NOC/C=C\Cl)N1CCCNCC1 ZINC000841909830 587984076 /nfs/dbraw/zinc/98/40/76/587984076.db2.gz CULBPRPZKOSDFU-IWQZZHSRSA-N 0 3 233.699 0.675 20 0 BCADHN C[C@@H]1[C@H](C)CN(CCS(N)(=O)=O)[C@H]1C ZINC000842167638 588005096 /nfs/dbraw/zinc/00/50/96/588005096.db2.gz WTPYXAJQQQKAPQ-HLTSFMKQSA-N 0 3 220.338 0.251 20 0 BCADHN Cc1cc(CN[C@H](CO)[C@@H](C)O)c(C)o1 ZINC000842225372 588007789 /nfs/dbraw/zinc/00/77/89/588007789.db2.gz NHORTHWSJACYNU-LDYMZIIASA-N 0 3 213.277 0.728 20 0 BCADHN COC[C@H](C)OC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000867297454 588028056 /nfs/dbraw/zinc/02/80/56/588028056.db2.gz JVGAKXAFXPEDMZ-GARJFASQSA-N 0 3 242.319 0.794 20 0 BCADHN C[C@H]1C[C@@H](NCCS(=O)(=O)CC2CC2)CO1 ZINC000842691336 588053144 /nfs/dbraw/zinc/05/31/44/588053144.db2.gz GKPHZKSJPBGWAD-GXSJLCMTSA-N 0 3 247.360 0.578 20 0 BCADHN COC(=O)N1CC(N[C@H]2CO[C@@H](C)C2)C1 ZINC000842691261 588053258 /nfs/dbraw/zinc/05/32/58/588053258.db2.gz DOPHHJDLZVRYOO-JGVFFNPUSA-N 0 3 214.265 0.204 20 0 BCADHN C[C@H]1C[C@H](NCC2(C)OCCCO2)CO1 ZINC000842701391 588054068 /nfs/dbraw/zinc/05/40/68/588054068.db2.gz DZMSQZYUSVUEQM-UWVGGRQHSA-N 0 3 215.293 0.907 20 0 BCADHN CCN(OC)C(=O)CNCC(C)(C)COC ZINC000842769214 588061352 /nfs/dbraw/zinc/06/13/52/588061352.db2.gz MHYODCRONAHFTL-UHFFFAOYSA-N 0 3 232.324 0.659 20 0 BCADHN CCN(OC)C(=O)CNC[C@@H]1CCSC1 ZINC000842768513 588061405 /nfs/dbraw/zinc/06/14/05/588061405.db2.gz AFESUDWKBIYKGI-VIFPVBQESA-N 0 3 232.349 0.739 20 0 BCADHN CCN(OC)C(=O)CN[C@@H](C)COC(C)C ZINC000842768963 588061441 /nfs/dbraw/zinc/06/14/41/588061441.db2.gz HAZUBCWMMQHHJH-JTQLQIEISA-N 0 3 232.324 0.799 20 0 BCADHN CC[C@H]1C[C@@H](NCC(=O)N(CC)OC)CCO1 ZINC000842769159 588061463 /nfs/dbraw/zinc/06/14/63/588061463.db2.gz KFNOCKBHUUIQJE-QWRGUYRKSA-N 0 3 244.335 0.944 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CO[C@@H](C)C1 ZINC000842770322 588061983 /nfs/dbraw/zinc/06/19/83/588061983.db2.gz QQDBFHIYNGSNGT-IUCAKERBSA-N 0 3 216.281 0.163 20 0 BCADHN Cc1cc(C)cc([C@@H](O)CNC(CO)CO)c1 ZINC000843059630 588077241 /nfs/dbraw/zinc/07/72/41/588077241.db2.gz LYXGTGFWHYGBKE-ZDUSSCGKSA-N 0 3 239.315 0.280 20 0 BCADHN COc1ccccc1[C@@H](O)CNC[C@H](C)O ZINC000843065862 588077819 /nfs/dbraw/zinc/07/78/19/588077819.db2.gz QULQGROAWZGZPT-ONGXEEELSA-N 0 3 225.288 0.699 20 0 BCADHN CC[C@H](C)[C@@H](O)CNCCS(C)(=O)=O ZINC000843074901 588077964 /nfs/dbraw/zinc/07/79/64/588077964.db2.gz PRKSELKBRJZMFM-IUCAKERBSA-N 0 3 223.338 0.028 20 0 BCADHN CSC[C@@H](O)CNC[C@H](O)C(F)(F)F ZINC000843063916 588078532 /nfs/dbraw/zinc/07/85/32/588078532.db2.gz UCSOYJJWPQPXBL-WDSKDSINSA-N 0 3 233.255 0.223 20 0 BCADHN CCS(=O)(=O)CCN[C@@H](CCO)C1CC1 ZINC000843076928 588079371 /nfs/dbraw/zinc/07/93/71/588079371.db2.gz MOTMVUYOTCQULU-JTQLQIEISA-N 0 3 235.349 0.172 20 0 BCADHN OCC1(CNC[C@@H](O)c2ccc(F)cn2)CC1 ZINC000843075401 588079563 /nfs/dbraw/zinc/07/95/63/588079563.db2.gz JXUMZDRFWBMQEW-LLVKDONJSA-N 0 3 240.278 0.616 20 0 BCADHN C[C@@H](NCCC(N)=O)[C@@H](O)c1cccc(F)c1 ZINC000843103575 588081757 /nfs/dbraw/zinc/08/17/57/588081757.db2.gz MNTKETPLOZIQGN-PRHODGIISA-N 0 3 240.278 0.713 20 0 BCADHN CC[C@H](NCCS(C)(=O)=O)[C@@H](O)C(F)F ZINC000843116206 588083111 /nfs/dbraw/zinc/08/31/11/588083111.db2.gz VSYJTRDUGFUADU-NKWVEPMBSA-N 0 3 245.291 0.025 20 0 BCADHN CC1(C)CNCCN1C(=O)c1cc[n+]([O-])cc1 ZINC000843351906 588102286 /nfs/dbraw/zinc/10/22/86/588102286.db2.gz JPZYZTSOHWCYHI-UHFFFAOYSA-N 0 3 235.287 0.144 20 0 BCADHN CCC/C(C)=C/C(=O)N1CCN(C)C[C@H]1CN ZINC000843357830 588104011 /nfs/dbraw/zinc/10/40/11/588104011.db2.gz RLHBAIITHLYRIQ-JATZPVMKSA-N 0 3 239.363 0.834 20 0 BCADHN CCNCC(=O)NC1(C(=O)OC)CCCC1 ZINC000843372913 588105153 /nfs/dbraw/zinc/10/51/53/588105153.db2.gz DPXVGUKOGBMJDP-UHFFFAOYSA-N 0 3 228.292 0.198 20 0 BCADHN CC[C@](C)(NC(=O)[C@]1(F)CCNC1)C(=O)OC ZINC000843415669 588107305 /nfs/dbraw/zinc/10/73/05/588107305.db2.gz LWRLIQLCAJUVDQ-QWRGUYRKSA-N 0 3 246.282 0.146 20 0 BCADHN CCN(OC)C(=O)CNCC1(SC)CC1 ZINC000843429714 588108436 /nfs/dbraw/zinc/10/84/36/588108436.db2.gz AIENTSGBMPLSCT-UHFFFAOYSA-N 0 3 232.349 0.882 20 0 BCADHN CCN(OC)C(=O)CN[C@@H](C)C[C@H]1CCOC1 ZINC000843430779 588108966 /nfs/dbraw/zinc/10/89/66/588108966.db2.gz PXTMXVCCDCGSIW-WDEREUQCSA-N 0 3 244.335 0.801 20 0 BCADHN CCN(OC)C(=O)CNC[C@H](C)COC ZINC000843431056 588109218 /nfs/dbraw/zinc/10/92/18/588109218.db2.gz WAKUWSGBIKJQAE-VIFPVBQESA-N 0 3 218.297 0.268 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)C[C@@H]1CCOC1 ZINC000843430777 588109292 /nfs/dbraw/zinc/10/92/92/588109292.db2.gz PXTMXVCCDCGSIW-MNOVXSKESA-N 0 3 244.335 0.801 20 0 BCADHN COC(=O)CC(C)(C)NC(=O)[C@H](C)NC1CC1 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FWMLPGBNBABNKM-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CC1(C)CNCCN1C(=O)/C=C/c1cnccn1 ZINC000844166214 588171799 /nfs/dbraw/zinc/17/17/99/588171799.db2.gz XIPNAKNBZGUWFX-ONEGZZNKSA-N 0 3 246.314 0.700 20 0 BCADHN C[C@@H](N)C(=O)N(C)Cc1nnc2ccccn21 ZINC000844181243 588171993 /nfs/dbraw/zinc/17/19/93/588171993.db2.gz ASFRIWMAFNAQBG-MRVPVSSYSA-N 0 3 233.275 0.035 20 0 BCADHN CCNCC(=O)NC[C@H](C)Cn1ccnc1 ZINC000844174859 588172086 /nfs/dbraw/zinc/17/20/86/588172086.db2.gz CSFWQRGFUGJNTI-JTQLQIEISA-N 0 3 224.308 0.245 20 0 BCADHN CCNCC(=O)NCc1cn2cc(C)ccc2n1 ZINC000844176087 588172307 /nfs/dbraw/zinc/17/23/07/588172307.db2.gz MBJOWOIVWYMOEK-UHFFFAOYSA-N 0 3 246.314 0.868 20 0 BCADHN COc1c(C)cnc(CNC(=O)C2(N)CC2)c1C ZINC000844177631 588172502 /nfs/dbraw/zinc/17/25/02/588172502.db2.gz OIIXRWIHRVEWLO-UHFFFAOYSA-N 0 3 249.314 0.815 20 0 BCADHN CCNCC(=O)N(CC)Cc1cnn(C)c1 ZINC000844176567 588172534 /nfs/dbraw/zinc/17/25/34/588172534.db2.gz UHPFNOICHHIFOS-UHFFFAOYSA-N 0 3 224.308 0.378 20 0 BCADHN CN(C(=O)C[C@@H]1CSCCN1)c1cn[nH]c1 ZINC000844190721 588172651 /nfs/dbraw/zinc/17/26/51/588172651.db2.gz MMQCKPIJSMPUHZ-MRVPVSSYSA-N 0 3 240.332 0.468 20 0 BCADHN CN(C(=O)[C@@H](N)C(C)(C)C)c1cn[nH]c1 ZINC000844190479 588172844 /nfs/dbraw/zinc/17/28/44/588172844.db2.gz HRSXLXVOGRYOAW-MRVPVSSYSA-N 0 3 210.281 0.746 20 0 BCADHN O=C1O[C@H](CN2CCC[C@H](O)C2)CN1C1CC1 ZINC000844273276 588178765 /nfs/dbraw/zinc/17/87/65/588178765.db2.gz TZRWWHAPSJSCNQ-WDEREUQCSA-N 0 3 240.303 0.426 20 0 BCADHN COC(=O)[C@H]1CCN(C[C@@H]2CCC(=O)N2)[C@H]1C ZINC000844321290 588184227 /nfs/dbraw/zinc/18/42/27/588184227.db2.gz QPLRFGUVSUQWLW-GUBZILKMSA-N 0 3 240.303 0.148 20 0 BCADHN COC[C@@H](C)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000844322472 588184631 /nfs/dbraw/zinc/18/46/31/588184631.db2.gz CVBIGRACIUCSHF-SCZZXKLOSA-N 0 3 228.292 0.594 20 0 BCADHN COC(CN1CCC(C2(O)CC2)CC1)OC ZINC000844362696 588187775 /nfs/dbraw/zinc/18/77/75/588187775.db2.gz IOQCZPCAVCMVQX-UHFFFAOYSA-N 0 3 229.320 0.842 20 0 BCADHN CCC[C@@H](C)[C@@H](CO)NCC1OCCO1 ZINC000844375478 588188135 /nfs/dbraw/zinc/18/81/35/588188135.db2.gz QSHSJAHCXMZKKP-NXEZZACHSA-N 0 3 217.309 0.746 20 0 BCADHN C[C@@H](CO)C1CCN(CC[S@@](C)=O)CC1 ZINC000844415191 588191274 /nfs/dbraw/zinc/19/12/74/588191274.db2.gz PELUTYQJEHRXJN-ZUZCIYMTSA-N 0 3 233.377 0.705 20 0 BCADHN COC(CN1CCC([C@H](C)CO)CC1)OC ZINC000844415625 588191377 /nfs/dbraw/zinc/19/13/77/588191377.db2.gz GBEJDXRZOQCJDV-SNVBAGLBSA-N 0 3 231.336 0.946 20 0 BCADHN CNC(=O)NC(=O)CCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844449174 588195184 /nfs/dbraw/zinc/19/51/84/588195184.db2.gz BGNRVKXZSGQCHZ-KNVOCYPGSA-N 0 3 247.245 0.029 20 0 BCADHN C[C@H](CCO)N(C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000844449924 588195234 /nfs/dbraw/zinc/19/52/34/588195234.db2.gz MMZGNXUMSAGJHU-NXEZZACHSA-N 0 3 227.304 0.785 20 0 BCADHN C[C@H](CCO)N(C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844452158 588195349 /nfs/dbraw/zinc/19/53/49/588195349.db2.gz UMQHTGWMLYGQIE-MWLCHTKSSA-N 0 3 242.319 0.672 20 0 BCADHN C[C@H](CCO)N(C)CC1CCS(=O)(=O)CC1 ZINC000844452972 588195784 /nfs/dbraw/zinc/19/57/84/588195784.db2.gz YBCJDLXBQFPIQX-SNVBAGLBSA-N 0 3 249.376 0.514 20 0 BCADHN CN(CCN1CCCCC1)[C@H]1CCOC1=O ZINC000844464513 588197278 /nfs/dbraw/zinc/19/72/78/588197278.db2.gz PYNGSRRVPLDXNK-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN CN(C)CC[C@H](N)c1nc(CC2CC2)no1 ZINC000844680379 588213454 /nfs/dbraw/zinc/21/34/54/588213454.db2.gz IFLWCNJHWPCFNE-VIFPVBQESA-N 0 3 224.308 0.974 20 0 BCADHN C[C@@H](CNC(=O)N1C[C@H]2[C@@H](C1)C2(F)F)N(C)C ZINC000845238890 588224468 /nfs/dbraw/zinc/22/44/68/588224468.db2.gz RKSUDZSKHQOPMM-XHNCKOQMSA-N 0 3 247.289 0.843 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CCO[C@@H]1C ZINC000846064985 588254393 /nfs/dbraw/zinc/25/43/93/588254393.db2.gz PJMNUFJVKVXPPS-BDAKNGLRSA-N 0 3 216.281 0.163 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CCCSC1 ZINC000846063259 588254957 /nfs/dbraw/zinc/25/49/57/588254957.db2.gz FGMRZNLOYJOILU-VIFPVBQESA-N 0 3 232.349 0.882 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1C[C@@H](C)O[C@@H]1C 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/nfs/dbraw/zinc/28/36/13/588283613.db2.gz NZELNXOQCSNTAO-NSHDSACASA-N 0 3 247.298 0.604 20 0 BCADHN CCN1C[C@H](CN(C)CCCOC)OC1=O ZINC000846778004 588287607 /nfs/dbraw/zinc/28/76/07/588287607.db2.gz DQNUFZFHOZXREH-JTQLQIEISA-N 0 3 230.308 0.795 20 0 BCADHN CCN1C[C@H](CN2CCC[C@@H]2COC)OC1=O ZINC000846812304 588290245 /nfs/dbraw/zinc/29/02/45/588290245.db2.gz RUZJVBHCYXMDIE-GHMZBOCLSA-N 0 3 242.319 0.938 20 0 BCADHN CCN1C[C@@H](CN2CCC[C@@H]2COC)OC1=O ZINC000846812305 588290331 /nfs/dbraw/zinc/29/03/31/588290331.db2.gz RUZJVBHCYXMDIE-MNOVXSKESA-N 0 3 242.319 0.938 20 0 BCADHN CCN1C[C@H](CN2CCC[C@H]2COC)OC1=O ZINC000846812307 588290418 /nfs/dbraw/zinc/29/04/18/588290418.db2.gz RUZJVBHCYXMDIE-WDEREUQCSA-N 0 3 242.319 0.938 20 0 BCADHN CCN1C[C@H](CN2CC[C@](O)(CC)C2)OC1=O ZINC000846858954 588293718 /nfs/dbraw/zinc/29/37/18/588293718.db2.gz RGTMWTPVULCFSK-CMPLNLGQSA-N 0 3 242.319 0.674 20 0 BCADHN CCN1C[C@H](CN(C)CC2(CO)CC2)OC1=O ZINC000846866996 588293955 /nfs/dbraw/zinc/29/39/55/588293955.db2.gz KEHMSJKWMRKNDN-JTQLQIEISA-N 0 3 242.319 0.531 20 0 BCADHN CCN1C[C@@H](CN(C)C[C@@H](C)OC)OC1=O ZINC000846901734 588296146 /nfs/dbraw/zinc/29/61/46/588296146.db2.gz ABZSGHXCORIXDH-NXEZZACHSA-N 0 3 230.308 0.794 20 0 BCADHN CC(=O)NCCCN1CCC(C(C)=O)CC1 ZINC000846947858 588297951 /nfs/dbraw/zinc/29/79/51/588297951.db2.gz ZWWODXYOJLRPQS-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1C[C@H](C)OC1=O ZINC000848078345 588355274 /nfs/dbraw/zinc/35/52/74/588355274.db2.gz SCSRUGOHZMGBFW-DTWKUNHWSA-N 0 3 228.292 0.148 20 0 BCADHN C=C=CCNC(=O)CCN1CCN(CC)CC1 ZINC000848116052 588358229 /nfs/dbraw/zinc/35/82/29/588358229.db2.gz ACMPLDKYJPWDEG-UHFFFAOYSA-N 0 3 237.347 0.471 20 0 BCADHN CS/C=C\C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848305681 588371589 /nfs/dbraw/zinc/37/15/89/588371589.db2.gz FINGZCDCXGDFDI-XRMSOAODSA-N 0 3 242.344 0.141 20 0 BCADHN CC[C@](C)(CC(=O)OC)NC(=O)[C@H](C)NC ZINC000848406383 588374296 /nfs/dbraw/zinc/37/42/96/588374296.db2.gz MYIMWMJJRKNMBC-GZMMTYOYSA-N 0 3 230.308 0.442 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H](O)c1cccc(F)c1 ZINC000848398466 588377557 /nfs/dbraw/zinc/37/75/57/588377557.db2.gz UPMHWAYFFUKYGU-KWQFWETISA-N 0 3 240.278 0.583 20 0 BCADHN CN[C@@H](C)C(=O)NC(C)(C)CC(=O)OC ZINC000848400463 588377657 /nfs/dbraw/zinc/37/76/57/588377657.db2.gz HRABVKPNOUWYTB-ZETCQYMHSA-N 0 3 216.281 0.052 20 0 BCADHN NC[C@H](NC(=O)c1ccc(N)cc1)C(F)(F)F ZINC000848436268 588384842 /nfs/dbraw/zinc/38/48/42/588384842.db2.gz LEJXVHIPQHYHDE-QMMMGPOBSA-N 0 3 247.220 0.888 20 0 BCADHN CC(C)(C)C(=O)C(=O)N[C@H](CN)C(F)(F)F ZINC000848437625 588385078 /nfs/dbraw/zinc/38/50/78/588385078.db2.gz CESJRXFXGMTXNM-RXMQYKEDSA-N 0 3 240.225 0.607 20 0 BCADHN CO[C@@H](C)CC(=O)N[C@H](CN)C(F)(F)F ZINC000848438869 588385111 /nfs/dbraw/zinc/38/51/11/588385111.db2.gz MCBQPIXQVIAGIT-NTSWFWBYSA-N 0 3 228.214 0.417 20 0 BCADHN CO[C@@](C)(CO)CNCc1ccc(F)nc1 ZINC000848560992 588397565 /nfs/dbraw/zinc/39/75/65/588397565.db2.gz UFJFMHXVMTVIPF-LLVKDONJSA-N 0 3 228.267 0.708 20 0 BCADHN NC[C@H](NC(=O)NOC1CCC1)C(F)(F)F ZINC000848599378 588401280 /nfs/dbraw/zinc/40/12/80/588401280.db2.gz YWGHPDIKEHCDEN-LURJTMIESA-N 0 3 241.213 0.659 20 0 BCADHN CN1CCC(NC(=O)C2=COCCC2)CC1 ZINC000107759852 588403508 /nfs/dbraw/zinc/40/35/08/588403508.db2.gz YNHNBPMJGMBUOB-UHFFFAOYSA-N 0 3 224.304 0.891 20 0 BCADHN COC(=O)/C=C\c1ccc(CNC[C@@H](C)O)o1 ZINC000848898550 588417546 /nfs/dbraw/zinc/41/75/46/588417546.db2.gz DYXPPZSYCIMEDN-SSJHQANKSA-N 0 3 239.271 0.936 20 0 BCADHN COC(=O)/C=C\c1ccc(CNCCCO)o1 ZINC000848889684 588417721 /nfs/dbraw/zinc/41/77/21/588417721.db2.gz AGZVJKQTYZZXDR-WAYWQWQTSA-N 0 3 239.271 0.938 20 0 BCADHN CN(C)CCn1cc(-c2cncnc2)nn1 ZINC000849136448 588453652 /nfs/dbraw/zinc/45/36/52/588453652.db2.gz FTBOTPSRGFRVLP-UHFFFAOYSA-N 0 3 218.264 0.297 20 0 BCADHN C[C@@H](N)c1cn(-c2cccc(CO)c2)nn1 ZINC000849139198 588454251 /nfs/dbraw/zinc/45/42/51/588454251.db2.gz CTFXWLRGKNJXTD-MRVPVSSYSA-N 0 3 218.260 0.779 20 0 BCADHN COC(=O)c1cc(-n2cc([C@H](C)N)nn2)ccn1 ZINC000849150395 588456175 /nfs/dbraw/zinc/45/61/75/588456175.db2.gz NZJCSVHRZVBWRC-ZETCQYMHSA-N 0 3 247.258 0.469 20 0 BCADHN C[C@H](N)c1cn(C[C@@H](O)Cc2ccccc2)nn1 ZINC000849152318 588456215 /nfs/dbraw/zinc/45/62/15/588456215.db2.gz UIAAOCWNYQKGEY-JQWIXIFHSA-N 0 3 246.314 0.901 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2ccc[n+]([O-])c2)C1 ZINC000108327904 588460711 /nfs/dbraw/zinc/46/07/11/588460711.db2.gz MGJWHRMUCAHQBO-LLVKDONJSA-N 0 3 249.314 0.392 20 0 BCADHN CN1CCC[C@@H](NC(=S)NCC2CC2)C1 ZINC000849253974 588465182 /nfs/dbraw/zinc/46/51/82/588465182.db2.gz AVCSNYOSZQSFCQ-SNVBAGLBSA-N 0 3 227.377 0.955 20 0 BCADHN CN1CCC[C@H](NC(=S)NCC2CC2)C1 ZINC000849253972 588465192 /nfs/dbraw/zinc/46/51/92/588465192.db2.gz AVCSNYOSZQSFCQ-JTQLQIEISA-N 0 3 227.377 0.955 20 0 BCADHN C[C@H](CNC(=S)NCC1CC1)N(C)C ZINC000849255192 588465583 /nfs/dbraw/zinc/46/55/83/588465583.db2.gz XRLHHRJWDYTKMQ-MRVPVSSYSA-N 0 3 215.366 0.811 20 0 BCADHN CCO[C@H]1C[C@H](NC(=S)NCCN(C)C)C1 ZINC000849285163 588469756 /nfs/dbraw/zinc/46/97/56/588469756.db2.gz TVPMNRLQJCYVTF-MGCOHNPYSA-N 0 3 245.392 0.580 20 0 BCADHN CN(C)CCNC(=S)N[C@@H]1C=CCC1 ZINC000849280397 588469834 /nfs/dbraw/zinc/46/98/34/588469834.db2.gz UKSQEQXEYGQWPD-SECBINFHSA-N 0 3 213.350 0.731 20 0 BCADHN C[C@@H]1CN(C[C@@]2(O)CCCOC2)CCN1C ZINC000849324059 588472580 /nfs/dbraw/zinc/47/25/80/588472580.db2.gz DCMZWILHHKGZDM-NEPJUHHUSA-N 0 3 228.336 0.164 20 0 BCADHN COC[C@H](C)NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000849333875 588473501 /nfs/dbraw/zinc/47/35/01/588473501.db2.gz QTXHLPWURGCDSK-AXFHLTTASA-N 0 3 241.335 0.367 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1CCC1CCC1 ZINC000849896516 588508592 /nfs/dbraw/zinc/50/85/92/588508592.db2.gz YURBQPDCTKRYGB-MRVPVSSYSA-N 0 3 246.332 0.584 20 0 BCADHN COc1cncc(CN[C@H](CO)CCF)c1 ZINC000850338032 588537257 /nfs/dbraw/zinc/53/72/57/588537257.db2.gz DKHFBQDZJJQTIR-JTQLQIEISA-N 0 3 228.267 0.900 20 0 BCADHN CN(C)CCNC(=S)Nc1ccccn1 ZINC000007369877 588537261 /nfs/dbraw/zinc/53/72/61/588537261.db2.gz PUARTPAWFIXDCW-UHFFFAOYSA-N 0 3 224.333 0.930 20 0 BCADHN OCCO[C@@]1(CNCc2ccoc2)CCOC1 ZINC000850357861 588538976 /nfs/dbraw/zinc/53/89/76/588538976.db2.gz ALIMYUTWYJJBHN-GFCCVEGCSA-N 0 3 241.287 0.537 20 0 BCADHN Cn1c(CNC[C@@H]2CCC(=O)N2)cnc1Cl ZINC000850389332 588543124 /nfs/dbraw/zinc/54/31/24/588543124.db2.gz YRHWHRLMWKQGSL-ZETCQYMHSA-N 0 3 242.710 0.442 20 0 BCADHN COC(=O)N(C)CCNCc1[nH]ncc1C ZINC000850390537 588543445 /nfs/dbraw/zinc/54/34/45/588543445.db2.gz YTWJJQYPAPZYIL-UHFFFAOYSA-N 0 3 226.280 0.506 20 0 BCADHN C[C@@H](O)c1ncc(CN[C@H]2C[C@H](O)C2)s1 ZINC000850417915 588544872 /nfs/dbraw/zinc/54/48/72/588544872.db2.gz QXZMXGISDPJIKV-BWZBUEFSSA-N 0 3 228.317 0.809 20 0 BCADHN Cn1c2ccc(CN[C@H]3C[C@H](O)C3)cc2oc1=O ZINC000850417620 588544876 /nfs/dbraw/zinc/54/48/76/588544876.db2.gz GFQAGTRAZYXTMK-MGCOHNPYSA-N 0 3 248.282 0.744 20 0 BCADHN Cn1c(CN[C@H]2C[C@H](O)C2)cnc1Cl ZINC000850417827 588544947 /nfs/dbraw/zinc/54/49/47/588544947.db2.gz NWUXNIGKNBAKED-FKQCQYRASA-N 0 3 215.684 0.686 20 0 BCADHN COc1cncc(CN[C@H]2C[C@H](O)C2)c1 ZINC000850418038 588545119 /nfs/dbraw/zinc/54/51/19/588545119.db2.gz WBZLHGUJORHVTC-MGCOHNPYSA-N 0 3 208.261 0.703 20 0 BCADHN C[C@@H](Cn1cncn1)NC[C@H](O)c1ccco1 ZINC000850426336 588545325 /nfs/dbraw/zinc/54/53/25/588545325.db2.gz YESNYMWHNYORLN-UWVGGRQHSA-N 0 3 236.275 0.583 20 0 BCADHN COC(=O)N1CC(N[C@@H](C)C2(OC)CCC2)C1 ZINC000850445474 588547056 /nfs/dbraw/zinc/54/70/56/588547056.db2.gz FAASXTKXNAQHKI-VIFPVBQESA-N 0 3 242.319 0.984 20 0 BCADHN C[C@H](Cn1cncn1)NCC1(C)OCCCO1 ZINC000850464988 588548576 /nfs/dbraw/zinc/54/85/76/588548576.db2.gz QWDGTAHCVBQIHX-SNVBAGLBSA-N 0 3 240.307 0.409 20 0 BCADHN C[C@@H](CSCCF)NCc1cnnn1C ZINC000850468657 588548875 /nfs/dbraw/zinc/54/88/75/588548875.db2.gz JPZRCYIBRMYTID-QMMMGPOBSA-N 0 3 232.328 0.996 20 0 BCADHN CC1(C)C[C@H](NCCS(=O)(=O)C2CC2)CO1 ZINC000850474306 588549554 /nfs/dbraw/zinc/54/95/54/588549554.db2.gz LTARBLXVTKHHSH-VIFPVBQESA-N 0 3 247.360 0.721 20 0 BCADHN CC(C)NCCS(=O)(=O)CC(F)(F)F ZINC000850520168 588555786 /nfs/dbraw/zinc/55/57/86/588555786.db2.gz SWSLZNVKZUKZKE-UHFFFAOYSA-N 0 3 233.255 0.962 20 0 BCADHN COCc1nnc(C[NH2+][C@H]2CC[C@@H]2C)[n-]1 ZINC000850514856 588555832 /nfs/dbraw/zinc/55/58/32/588555832.db2.gz QQYQBRDKKMSGRT-YUMQZZPRSA-N 0 3 210.281 0.839 20 0 BCADHN O[C@H]1C[C@H](N[C@@H]2CCCc3n[nH]cc32)C1 ZINC000850577585 588561157 /nfs/dbraw/zinc/56/11/57/588561157.db2.gz APHRNXFSAWGMBA-NQMVMOMDSA-N 0 3 207.277 0.900 20 0 BCADHN CCNCC(=O)N[C@@](C)(CCF)C(=O)OC ZINC000851646090 588612799 /nfs/dbraw/zinc/61/27/99/588612799.db2.gz WNKLTNLPNFYHLD-JTQLQIEISA-N 0 3 234.271 0.003 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N[C@H]1C=CCC1 ZINC000851641803 588612976 /nfs/dbraw/zinc/61/29/76/588612976.db2.gz MZIIOBDSLOYYMK-QWRGUYRKSA-N 0 3 224.304 0.590 20 0 BCADHN N[C@@H]1CN(C(=O)C[C@H]2CCCCO2)CC[C@H]1F ZINC000851648405 588613011 /nfs/dbraw/zinc/61/30/11/588613011.db2.gz FJZLMMYKCYHKSN-GMTAPVOTSA-N 0 3 244.310 0.843 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCCc1ccco1 ZINC000851647756 588613016 /nfs/dbraw/zinc/61/30/16/588613016.db2.gz QRUUKPZIVAQWHN-VHSXEESVSA-N 0 3 208.261 0.676 20 0 BCADHN COC(=O)[C@H](C)CN(C)CCOC(F)F ZINC000851728318 588616544 /nfs/dbraw/zinc/61/65/44/588616544.db2.gz LXFAGULYXWOADP-SSDOTTSWSA-N 0 3 225.235 0.967 20 0 BCADHN CCCN(CCO)C[C@H](O)c1ccccn1 ZINC000851730113 588618777 /nfs/dbraw/zinc/61/87/77/588618777.db2.gz VHOFMYXVWPNJRG-LBPRGKRZSA-N 0 3 224.304 0.819 20 0 BCADHN CCCN(CCO)C[C@H]1COC(C)(C)O1 ZINC000851729390 588619188 /nfs/dbraw/zinc/61/91/88/588619188.db2.gz MMOYFVPAWKXBRB-JTQLQIEISA-N 0 3 217.309 0.842 20 0 BCADHN COCCCN(CCOC)C[C@H]1CCC(=O)O1 ZINC000851732921 588619248 /nfs/dbraw/zinc/61/92/48/588619248.db2.gz DMTNFSNQZZRGRW-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN O=C1CN(C[C@@H]2C[C@H]3C[C@H]3C2)CCCN1 ZINC000851748585 588622890 /nfs/dbraw/zinc/62/28/90/588622890.db2.gz SZQCGMMUQGYOOX-JGPRNRPPSA-N 0 3 208.305 0.854 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CCN(C[C@@H](C)O)CC2)C1 ZINC000851750849 588623191 /nfs/dbraw/zinc/62/31/91/588623191.db2.gz LAZAZBLDBGKNNM-JHJVBQTASA-N 0 3 242.363 0.552 20 0 BCADHN CN(C[C@H]1COC(C)(C)O1)[C@H]1CCOC1 ZINC000851761970 588624475 /nfs/dbraw/zinc/62/44/75/588624475.db2.gz GGAHXFHXSWDUNV-UWVGGRQHSA-N 0 3 215.293 0.859 20 0 BCADHN C[C@H](O)CCN(C)C[C@@H]1COC(C)(C)O1 ZINC000851786097 588626031 /nfs/dbraw/zinc/62/60/31/588626031.db2.gz XHTMCRWUKSSGCZ-VHSXEESVSA-N 0 3 217.309 0.841 20 0 BCADHN CN(C[C@@H](O)c1ccccn1)CC(C)(C)O ZINC000851774258 588626616 /nfs/dbraw/zinc/62/66/16/588626616.db2.gz HUZSROSCZYCZDS-LLVKDONJSA-N 0 3 224.304 0.818 20 0 BCADHN CO[C@@H]1CC[C@@H](N(C)[C@H]2CCN(C)C2=O)C1 ZINC000851778395 588626875 /nfs/dbraw/zinc/62/68/75/588626875.db2.gz IWIXURQCAGDLLE-MXWKQRLJSA-N 0 3 226.320 0.716 20 0 BCADHN CC1(C)OC[C@@H](CN2CC[C@H](CO)C2)O1 ZINC000851781550 588627652 /nfs/dbraw/zinc/62/76/52/588627652.db2.gz ZZONKIIFDYYYRR-VHSXEESVSA-N 0 3 215.293 0.452 20 0 BCADHN CO[C@H]1CCN(C[C@H](O)c2ccccn2)C1 ZINC000851799360 588630422 /nfs/dbraw/zinc/63/04/22/588630422.db2.gz OSSPDSVZDUAHLU-JQWIXIFHSA-N 0 3 222.288 0.836 20 0 BCADHN CN(C[C@H](O)C1CC1)C[C@H](O)c1ccccn1 ZINC000851802617 588630661 /nfs/dbraw/zinc/63/06/61/588630661.db2.gz KSLZLIGHXWNXLU-STQMWFEESA-N 0 3 236.315 0.818 20 0 BCADHN CN(C[C@H](O)c1ccccn1)C[C@@H](O)C1CC1 ZINC000851802615 588630687 /nfs/dbraw/zinc/63/06/87/588630687.db2.gz KSLZLIGHXWNXLU-OLZOCXBDSA-N 0 3 236.315 0.818 20 0 BCADHN CC1(O)CCN(C[C@H](O)c2ccccn2)CC1 ZINC000851809541 588632207 /nfs/dbraw/zinc/63/22/07/588632207.db2.gz RRQFZMWDVBEBPJ-LBPRGKRZSA-N 0 3 236.315 0.962 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CCN3C(=O)OC[C@H]3C2)C1 ZINC000851814336 588633136 /nfs/dbraw/zinc/63/31/36/588633136.db2.gz ZPCFRNWCCJSYPL-GMTAPVOTSA-N 0 3 240.303 0.690 20 0 BCADHN C[C@@H]1COCCCN1C[C@@H]1CCC(=O)O1 ZINC000851860954 588634806 /nfs/dbraw/zinc/63/48/06/588634806.db2.gz LYWJYKZVLZJUSF-ZJUUUORDSA-N 0 3 213.277 0.803 20 0 BCADHN CC(C)(C)[C@H](NCCOC(F)F)C(N)=O ZINC000851851308 588634992 /nfs/dbraw/zinc/63/49/92/588634992.db2.gz LJBUFGABEMAEMI-ZCFIWIBFSA-N 0 3 224.251 0.715 20 0 BCADHN O=C1CC[C@H](CN2CCc3cn[nH]c3C2)O1 ZINC000851863908 588636242 /nfs/dbraw/zinc/63/62/42/588636242.db2.gz SLGXJFXTWGWJHG-SECBINFHSA-N 0 3 221.260 0.473 20 0 BCADHN O=C1CC[C@@H](CN2CCc3cn[nH]c3C2)O1 ZINC000851863909 588636407 /nfs/dbraw/zinc/63/64/07/588636407.db2.gz SLGXJFXTWGWJHG-VIFPVBQESA-N 0 3 221.260 0.473 20 0 BCADHN COC(CCN1CCc2n[nH]cc2C1)OC ZINC000851873038 588637708 /nfs/dbraw/zinc/63/77/08/588637708.db2.gz UOBXOJZRMTWZQN-UHFFFAOYSA-N 0 3 225.292 0.777 20 0 BCADHN NC(=O)[C@](O)(CN1CC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000851877859 588638619 /nfs/dbraw/zinc/63/86/19/588638619.db2.gz TYTFGVCZCFNJFF-OSMZGAPFSA-N 0 3 246.310 0.454 20 0 BCADHN CC[C@@H]1CN(C[C@H](O)c2ccccn2)C[C@@H]1O ZINC000851881018 588639268 /nfs/dbraw/zinc/63/92/68/588639268.db2.gz VUAQODNKQIZEOR-WXHSDQCUSA-N 0 3 236.315 0.818 20 0 BCADHN c1c[nH]c([C@@H]2CCCN2CCc2c[nH]nn2)n1 ZINC000851887222 588640512 /nfs/dbraw/zinc/64/05/12/588640512.db2.gz MYMXFELKTDWQIA-JTQLQIEISA-N 0 3 232.291 0.907 20 0 BCADHN C[C@@H]1[C@H](C)N(C[C@@H]2CCC(=O)O2)CCN1C ZINC000851889829 588641214 /nfs/dbraw/zinc/64/12/14/588641214.db2.gz PNXBRHKNKOGYSV-VWYCJHECSA-N 0 3 226.320 0.716 20 0 BCADHN NC(=O)[C@@](O)(CN1CC=CCC1)c1ccccc1 ZINC000851909583 588642503 /nfs/dbraw/zinc/64/25/03/588642503.db2.gz GMOKXJLOPWYHDR-CQSZACIVSA-N 0 3 246.310 0.621 20 0 BCADHN CN(C[C@@H]1COC(C)(C)O1)[C@]1(CO)CCOC1 ZINC000851917544 588643324 /nfs/dbraw/zinc/64/33/24/588643324.db2.gz HAFXPPJQGRPCSM-PWSUYJOCSA-N 0 3 245.319 0.221 20 0 BCADHN CCN1CC[C@H](N[C@H](CCO)C2CC2)C1=O ZINC000851933698 588645600 /nfs/dbraw/zinc/64/56/00/588645600.db2.gz UDDOUQCAKHDWEU-MNOVXSKESA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@]1(CO)CCCN1C[C@@H](O)c1ccccn1 ZINC000851935815 588645772 /nfs/dbraw/zinc/64/57/72/588645772.db2.gz HKZMFIBEUHYHRU-OLZOCXBDSA-N 0 3 236.315 0.962 20 0 BCADHN CC[C@@]1(O)CCN(C[C@@H]2CCC(=O)O2)C1 ZINC000851957362 588648031 /nfs/dbraw/zinc/64/80/31/588648031.db2.gz NMRWNPQFROCVNS-GXSJLCMTSA-N 0 3 213.277 0.539 20 0 BCADHN COCCCN(CCO)C[C@H]1CCC(=O)O1 ZINC000851968202 588648659 /nfs/dbraw/zinc/64/86/59/588648659.db2.gz KXFWEPSFXJXXGH-SNVBAGLBSA-N 0 3 231.292 0.023 20 0 BCADHN CC1(C)OC[C@H](CN(CCO)C2CCC2)O1 ZINC000851971450 588649606 /nfs/dbraw/zinc/64/96/06/588649606.db2.gz QLLRODHSQJCOTC-NSHDSACASA-N 0 3 229.320 0.985 20 0 BCADHN OCCN(C[C@H](O)c1ccccn1)C1CCC1 ZINC000851971463 588649782 /nfs/dbraw/zinc/64/97/82/588649782.db2.gz QTOPCCTYMKDKQB-ZDUSSCGKSA-N 0 3 236.315 0.962 20 0 BCADHN COC(CCN(C)[C@H](CO)COC(C)C)OC ZINC000851986514 588651653 /nfs/dbraw/zinc/65/16/53/588651653.db2.gz BTJPHWAWPLVKKO-LLVKDONJSA-N 0 3 249.351 0.713 20 0 BCADHN COC(CCN(C)[C@@H](CO)COC(C)C)OC ZINC000851986515 588651986 /nfs/dbraw/zinc/65/19/86/588651986.db2.gz BTJPHWAWPLVKKO-NSHDSACASA-N 0 3 249.351 0.713 20 0 BCADHN CC1(C)CN(CCOC(F)F)C[C@@H]1O ZINC000851997108 588653547 /nfs/dbraw/zinc/65/35/47/588653547.db2.gz HKFSAPZXAYQULQ-ZETCQYMHSA-N 0 3 209.236 0.928 20 0 BCADHN CC1(C)CN(C[C@H]2COC(C)(C)O2)C[C@@H]1O ZINC000851996802 588653609 /nfs/dbraw/zinc/65/36/09/588653609.db2.gz CNUMLKVUFCOUAM-UWVGGRQHSA-N 0 3 229.320 0.841 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2cccc(F)n2)C1 ZINC000852003334 588654149 /nfs/dbraw/zinc/65/41/49/588654149.db2.gz JCBFZODVFPJXRI-LBPRGKRZSA-N 0 3 237.278 0.918 20 0 BCADHN C[C@@H]1OCC[C@@H]1N(CCO)C[C@H]1CCC(=O)O1 ZINC000852002943 588654214 /nfs/dbraw/zinc/65/42/14/588654214.db2.gz GGEKZFNZWVAGQD-AXFHLTTASA-N 0 3 243.303 0.164 20 0 BCADHN C[C@]1(C(N)=O)CCN(C[C@@H](O)c2ccccn2)C1 ZINC000852002935 588654305 /nfs/dbraw/zinc/65/43/05/588654305.db2.gz GDPRHVYCWFLBOV-YPMHNXCESA-N 0 3 249.314 0.312 20 0 BCADHN C[C@@]1(C(N)=O)CCN(CCOC(F)F)C1 ZINC000852002592 588654404 /nfs/dbraw/zinc/65/44/04/588654404.db2.gz DJKBDMLBCNVBLR-SECBINFHSA-N 0 3 222.235 0.423 20 0 BCADHN CCN(CCOCCO)C[C@H]1CCC(=O)O1 ZINC000852015962 588655471 /nfs/dbraw/zinc/65/54/71/588655471.db2.gz QZGWYUHXUCAJSS-SNVBAGLBSA-N 0 3 231.292 0.023 20 0 BCADHN C[C@H](CO)N(C)C[C@@H](O)c1ccccn1 ZINC000852022421 588656498 /nfs/dbraw/zinc/65/64/98/588656498.db2.gz CUEIEEPBVUMLFB-MWLCHTKSSA-N 0 3 210.277 0.428 20 0 BCADHN COCCOCCN(C)C[C@@H]1CCC(=O)O1 ZINC000852053862 588656824 /nfs/dbraw/zinc/65/68/24/588656824.db2.gz JDGIWVPFKIIWHT-JTQLQIEISA-N 0 3 231.292 0.287 20 0 BCADHN CN(C[C@@H]1COC(C)(C)O1)C1(CO)CC1 ZINC000852043815 588657313 /nfs/dbraw/zinc/65/73/13/588657313.db2.gz KAGCJCTWVMJLQN-SECBINFHSA-N 0 3 215.293 0.595 20 0 BCADHN CN(C[C@@H]1CCC(=O)O1)[C@H]1CCC(=O)N(C)C1 ZINC000852086504 588660843 /nfs/dbraw/zinc/66/08/43/588660843.db2.gz RTPLFFHUPYYKLH-UWVGGRQHSA-N 0 3 240.303 0.245 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1C[C@H]1CCC(=O)O1 ZINC000852089511 588660945 /nfs/dbraw/zinc/66/09/45/588660945.db2.gz OXOUSKMZRMPAQB-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C)C(=O)O[C@@H]1CCN(CC2(C)COC2)C1 ZINC000852111815 588664435 /nfs/dbraw/zinc/66/44/35/588664435.db2.gz KIXGHHBTMOGLAN-SNVBAGLBSA-N 0 3 242.319 0.795 20 0 BCADHN CC1(C)OC[C@@H](CCN2CCOC[C@@H](O)C2)O1 ZINC000852111504 588664465 /nfs/dbraw/zinc/66/44/65/588664465.db2.gz BABCBBHLGDMDEJ-WDEREUQCSA-N 0 3 245.319 0.221 20 0 BCADHN COC[C@H](CN1CC[C@@](O)(C(F)F)C1)OC ZINC000852121525 588665200 /nfs/dbraw/zinc/66/52/00/588665200.db2.gz TXRPUWPWUQRUEW-WPRPVWTQSA-N 0 3 239.262 0.350 20 0 BCADHN COC[C@@H](CN1CC[C@@](O)(C(F)F)C1)OC ZINC000852121523 588665247 /nfs/dbraw/zinc/66/52/47/588665247.db2.gz TXRPUWPWUQRUEW-SCZZXKLOSA-N 0 3 239.262 0.350 20 0 BCADHN CC(=O)C1CCN(CCc2cn[nH]n2)CC1 ZINC000852125345 588665500 /nfs/dbraw/zinc/66/55/00/588665500.db2.gz HYPMUJLSIFGTMP-UHFFFAOYSA-N 0 3 222.292 0.648 20 0 BCADHN CC(=O)C1CCN(CCc2c[nH]nn2)CC1 ZINC000852125345 588665501 /nfs/dbraw/zinc/66/55/01/588665501.db2.gz HYPMUJLSIFGTMP-UHFFFAOYSA-N 0 3 222.292 0.648 20 0 BCADHN CCN1OC[C@@H](N[C@@H]2CCC2(C)C)C1=O ZINC000852125547 588665788 /nfs/dbraw/zinc/66/57/88/588665788.db2.gz SKWAOFZFGFUZPE-RKDXNWHRSA-N 0 3 212.293 0.927 20 0 BCADHN CC1(C)[C@H](O)C[C@H]1NC[C@@H](O)c1ccccn1 ZINC000852124682 588665811 /nfs/dbraw/zinc/66/58/11/588665811.db2.gz BTJCFLOYPDRMMD-IJLUTSLNSA-N 0 3 236.315 0.864 20 0 BCADHN CC(C)N1CC[C@@H](N(C)Cc2cnon2)C1 ZINC000852148734 588667029 /nfs/dbraw/zinc/66/70/29/588667029.db2.gz GSZZHPAYPLBPRO-LLVKDONJSA-N 0 3 224.308 0.984 20 0 BCADHN CC(=O)N[C@@H]1CCN(C[C@H]2COC(C)(C)O2)C1 ZINC000852184976 588670298 /nfs/dbraw/zinc/67/02/98/588670298.db2.gz RSVITNOUCFFECY-MNOVXSKESA-N 0 3 242.319 0.348 20 0 BCADHN CC(=O)N[C@@H]1CCN(C[C@@H]2COC(C)(C)O2)C1 ZINC000852184975 588670728 /nfs/dbraw/zinc/67/07/28/588670728.db2.gz RSVITNOUCFFECY-GHMZBOCLSA-N 0 3 242.319 0.348 20 0 BCADHN CC(=O)NCCN(C)CC[C@@H]1COC(C)(C)O1 ZINC000852205624 588671655 /nfs/dbraw/zinc/67/16/55/588671655.db2.gz PZPAYLXZMCRGST-LLVKDONJSA-N 0 3 244.335 0.596 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1C[C@@H]1COC(C)(C)O1 ZINC000852211717 588672453 /nfs/dbraw/zinc/67/24/53/588672453.db2.gz OZQQPZNQYKCGOR-HBNTYKKESA-N 0 3 245.319 0.220 20 0 BCADHN CCN1CC[C@@H](N2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000852214632 588673254 /nfs/dbraw/zinc/67/32/54/588673254.db2.gz YGWJHWCELDZQTB-HRDYMLBCSA-N 0 3 230.258 0.804 20 0 BCADHN C[C@@H](O)CN(C[C@@H]1COC(C)(C)O1)C1CC1 ZINC000852218757 588673529 /nfs/dbraw/zinc/67/35/29/588673529.db2.gz LGVNBVKGCQVUMS-MWLCHTKSSA-N 0 3 229.320 0.983 20 0 BCADHN C[C@H](O)CN(C[C@H]1CCC(=O)O1)C1CC1 ZINC000852218114 588673661 /nfs/dbraw/zinc/67/36/61/588673661.db2.gz FHWDMUQSTLJSAR-WCBMZHEXSA-N 0 3 213.277 0.537 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NOCCOC)C1 ZINC000852287719 588675676 /nfs/dbraw/zinc/67/56/76/588675676.db2.gz LJLRPZSGZRMXTE-SNVBAGLBSA-N 0 3 245.323 0.348 20 0 BCADHN COC(CCN(C)Cc1cnc[nH]1)OC ZINC000852287147 588675868 /nfs/dbraw/zinc/67/58/68/588675868.db2.gz BCNHISXTCQYGKW-UHFFFAOYSA-N 0 3 213.281 0.851 20 0 BCADHN O=C1CCC2=C(CCN(CCCCO)C2)N1 ZINC000852299550 588677106 /nfs/dbraw/zinc/67/71/06/588677106.db2.gz YMMOFCKPVRWNFY-UHFFFAOYSA-N 0 3 224.304 0.629 20 0 BCADHN O=C1CCC2=C(CCN(CCn3ccnc3)C2)N1 ZINC000852297670 588677196 /nfs/dbraw/zinc/67/71/96/588677196.db2.gz MGFXBRBHUPXTEE-UHFFFAOYSA-N 0 3 246.314 0.753 20 0 BCADHN CC(=O)CCN1CCC2=C(CCC(=O)N2)C1 ZINC000852301689 588677280 /nfs/dbraw/zinc/67/72/80/588677280.db2.gz PYUBRKAOEABOBE-UHFFFAOYSA-N 0 3 222.288 0.835 20 0 BCADHN CCOCCN1CCC2=C(CCC(=O)N2)C1 ZINC000852296591 588677284 /nfs/dbraw/zinc/67/72/84/588677284.db2.gz YOKXOMRTTWLOJA-UHFFFAOYSA-N 0 3 224.304 0.893 20 0 BCADHN CO[C@H](C)CN1CCC2=C(CCC(=O)N2)C1 ZINC000852297824 588677381 /nfs/dbraw/zinc/67/73/81/588677381.db2.gz OASORTBCXSYHEK-SECBINFHSA-N 0 3 224.304 0.891 20 0 BCADHN CO[C@@H](C)CN1CCC2=C(CCC(=O)N2)C1 ZINC000852297825 588677404 /nfs/dbraw/zinc/67/74/04/588677404.db2.gz OASORTBCXSYHEK-VIFPVBQESA-N 0 3 224.304 0.891 20 0 BCADHN COCCN1CC[C@H](N2CCOC2=O)C1 ZINC000852432464 588682206 /nfs/dbraw/zinc/68/22/06/588682206.db2.gz ZNFSNKVKRTZUMX-VIFPVBQESA-N 0 3 214.265 0.159 20 0 BCADHN C[C@H](O)CCN1CC[C@H](N2CCOC2=O)C1 ZINC000852437887 588682381 /nfs/dbraw/zinc/68/23/81/588682381.db2.gz JRDBDNLWEVRNFE-UWVGGRQHSA-N 0 3 228.292 0.284 20 0 BCADHN CCOCCCN1CC[C@@H](N2CCOC2=O)C1 ZINC000852432819 588682390 /nfs/dbraw/zinc/68/23/90/588682390.db2.gz LQPGJVMFQGAHOY-LLVKDONJSA-N 0 3 242.319 0.940 20 0 BCADHN CCC(=O)CCN1CCC(O)(CO)CC1 ZINC000852500875 588686383 /nfs/dbraw/zinc/68/63/83/588686383.db2.gz SLQPHGUEBCVUNC-UHFFFAOYSA-N 0 3 215.293 0.175 20 0 BCADHN CN(CC1=CCCOC1)C[C@H]1CCC(=O)O1 ZINC000852516536 588687771 /nfs/dbraw/zinc/68/77/71/588687771.db2.gz PSSUMKFANNSKBA-LLVKDONJSA-N 0 3 225.288 0.971 20 0 BCADHN C[C@]12COC[C@@H]1CN(CC1OCCO1)C2 ZINC000852533802 588688415 /nfs/dbraw/zinc/68/84/15/588688415.db2.gz DFRNBZWMWJUQIV-ONGXEEELSA-N 0 3 213.277 0.328 20 0 BCADHN CC1(C)OC[C@@H](CN2CC[C@@]3(O)C[C@H]3C2)O1 ZINC000852538345 588689326 /nfs/dbraw/zinc/68/93/26/588689326.db2.gz ZMQORKQWRFSWLN-HOSYDEDBSA-N 0 3 227.304 0.595 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1CC[S@@](C)=O ZINC000852558730 588690242 /nfs/dbraw/zinc/69/02/42/588690242.db2.gz LUEGHDBEWVFREB-JRKPZEMJSA-N 0 3 205.323 0.210 20 0 BCADHN COC(=O)N(C)CCN(C)CCc1cn[nH]c1 ZINC000852569006 588691043 /nfs/dbraw/zinc/69/10/43/588691043.db2.gz YMYKFSOEYBKFOR-UHFFFAOYSA-N 0 3 240.307 0.582 20 0 BCADHN CCC[C@H](O)CN(C)CCN(C)C(=O)OC ZINC000852569025 588691371 /nfs/dbraw/zinc/69/13/71/588691371.db2.gz ZBTUEEPXYHVWCE-JTQLQIEISA-N 0 3 232.324 0.777 20 0 BCADHN CC(C)C(=O)CCN1CCC(=O)N(C)CC1 ZINC000852578259 588691670 /nfs/dbraw/zinc/69/16/70/588691670.db2.gz ZHCBKUZQVYLOKU-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CCC(=O)CCN1CCC(=O)N(C)CC1 ZINC000852577269 588691674 /nfs/dbraw/zinc/69/16/74/588691674.db2.gz BNQNGVQKOBUNBU-UHFFFAOYSA-N 0 3 212.293 0.520 20 0 BCADHN O[C@@H]1C[C@@H](NCc2c[nH]cn2)C12CCC2 ZINC000852583351 588691886 /nfs/dbraw/zinc/69/18/86/588691886.db2.gz UWSOEXSBLZAGOE-NXEZZACHSA-N 0 3 207.277 0.803 20 0 BCADHN O[C@@H]1C[C@@H](NCc2cnc[nH]2)C12CCC2 ZINC000852583351 588691887 /nfs/dbraw/zinc/69/18/87/588691887.db2.gz UWSOEXSBLZAGOE-NXEZZACHSA-N 0 3 207.277 0.803 20 0 BCADHN O=C1CC[C@H](CN2CC[C@@H]3COC[C@H]3C2)O1 ZINC000852664371 588694599 /nfs/dbraw/zinc/69/45/99/588694599.db2.gz FFXQOTHKBQXGTD-GMTAPVOTSA-N 0 3 225.288 0.660 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)C[C@H]2CCC(=O)O2)C1 ZINC000852695786 588696215 /nfs/dbraw/zinc/69/62/15/588696215.db2.gz DYQHNIVVRNUYNV-KXUCPTDWSA-N 0 3 241.287 0.575 20 0 BCADHN NS(=O)(=O)CCN(CCC1CC1)CC1CC1 ZINC000852717525 588697139 /nfs/dbraw/zinc/69/71/39/588697139.db2.gz LKERVKOWHVYWFW-UHFFFAOYSA-N 0 3 246.376 0.787 20 0 BCADHN C[C@@H]1CN(CC2OCCO2)C[C@@]1(C)CO ZINC000852704128 588697303 /nfs/dbraw/zinc/69/73/03/588697303.db2.gz TVDATHQDEAMHRE-KOLCDFICSA-N 0 3 215.293 0.310 20 0 BCADHN COC[C@@H](CN1CCNC[C@H]1C(F)F)OC ZINC000852750150 588699992 /nfs/dbraw/zinc/69/99/92/588699992.db2.gz WVUDNEMTPFYOCH-BDAKNGLRSA-N 0 3 238.278 0.187 20 0 BCADHN c1c[nH]c([C@H]2CCCN2C[C@@H]2CNCCO2)n1 ZINC000852750388 588700129 /nfs/dbraw/zinc/70/01/29/588700129.db2.gz STVGZYNMZVOPPE-WDEREUQCSA-N 0 3 236.319 0.535 20 0 BCADHN COC(=O)NC1CCN(C[C@@H](C)OC)CC1 ZINC000852765854 588701000 /nfs/dbraw/zinc/70/10/00/588701000.db2.gz WTOHKMAMVMWCRD-SECBINFHSA-N 0 3 230.308 0.842 20 0 BCADHN COC(=O)NC1CCN(C[C@@H](O)C2CC2)CC1 ZINC000852763347 588701002 /nfs/dbraw/zinc/70/10/02/588701002.db2.gz PWJFIQORCOQMGM-LLVKDONJSA-N 0 3 242.319 0.578 20 0 BCADHN CCCCOC(=O)CN1CC[C@@H](F)[C@H](N)C1 ZINC000852762211 588701013 /nfs/dbraw/zinc/70/10/13/588701013.db2.gz JGXOERZIYNSQRY-NXEZZACHSA-N 0 3 232.299 0.701 20 0 BCADHN COC(=O)CCN1CCC(NC(=O)OC)CC1 ZINC000852770827 588701139 /nfs/dbraw/zinc/70/11/39/588701139.db2.gz CHTHUEYCKHSAMC-UHFFFAOYSA-N 0 3 244.291 0.370 20 0 BCADHN COCCNC(=O)[C@@H]1NCC12CCCC2 ZINC000852771015 588701213 /nfs/dbraw/zinc/70/12/13/588701213.db2.gz ISJGUKUDRBGJFL-VIFPVBQESA-N 0 3 212.293 0.281 20 0 BCADHN O=C(NC1CCCC1)[C@H]1NCC12CCOCC2 ZINC000852771006 588701330 /nfs/dbraw/zinc/70/13/30/588701330.db2.gz IJXDTWSBFKBYHT-LLVKDONJSA-N 0 3 238.331 0.814 20 0 BCADHN COC(=O)CCNC(=O)[C@H]1NCC12CCCC2 ZINC000852787366 588702645 /nfs/dbraw/zinc/70/26/45/588702645.db2.gz QLYGLJMLFCHKAL-SNVBAGLBSA-N 0 3 240.303 0.198 20 0 BCADHN C[C@@H](NN1C[C@@H](C)N[C@H](C)C1)c1ncnn1C ZINC000852796593 588703524 /nfs/dbraw/zinc/70/35/24/588703524.db2.gz GDIPFWQTVVJZCB-OPRDCNLKSA-N 0 3 238.339 0.063 20 0 BCADHN C[C@@H]1C[C@@H](C)CN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852798915 588704005 /nfs/dbraw/zinc/70/40/05/588704005.db2.gz CDYCDTLKIMOHNP-OPRDCNLKSA-N 0 3 239.319 0.595 20 0 BCADHN CCC(CC)NC(=O)C1=NO[C@H](CN)C1 ZINC000852799869 588704105 /nfs/dbraw/zinc/70/41/05/588704105.db2.gz ITPARDKXKPENKY-QMMMGPOBSA-N 0 3 213.281 0.395 20 0 BCADHN CC[C@@H]1CCCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852800695 588704253 /nfs/dbraw/zinc/70/42/53/588704253.db2.gz RMOUUOSKRGORCG-NXEZZACHSA-N 0 3 239.319 0.881 20 0 BCADHN NC[C@H]1CC(C(=O)N2CCCCCCC2)=NO1 ZINC000852801051 588704261 /nfs/dbraw/zinc/70/42/61/588704261.db2.gz FJYYDGDREGSXDC-SNVBAGLBSA-N 0 3 239.319 0.883 20 0 BCADHN CC1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852800311 588704275 /nfs/dbraw/zinc/70/42/75/588704275.db2.gz NKCQQCZNPFRYDV-SECBINFHSA-N 0 3 225.292 0.349 20 0 BCADHN CN(Cc1ccccc1)C(=O)C1=NO[C@H](CN)C1 ZINC000852800845 588704408 /nfs/dbraw/zinc/70/44/08/588704408.db2.gz RQVWRIMJIIBOPT-NSHDSACASA-N 0 3 247.298 0.749 20 0 BCADHN NC[C@@H]1CC(C(=O)NCc2ccccc2)=NO1 ZINC000852800179 588704420 /nfs/dbraw/zinc/70/44/20/588704420.db2.gz MIUKSORUEAKIJX-JTQLQIEISA-N 0 3 233.271 0.406 20 0 BCADHN Cc1cnc(NC(=O)C2=NO[C@@H](CN)C2)s1 ZINC000852801434 588704460 /nfs/dbraw/zinc/70/44/60/588704460.db2.gz LCQAKVSHWUNZEZ-ZCFIWIBFSA-N 0 3 240.288 0.494 20 0 BCADHN C[C@@H]1CCCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852801674 588704646 /nfs/dbraw/zinc/70/46/46/588704646.db2.gz UQOUCGWHJCHBDF-RKDXNWHRSA-N 0 3 225.292 0.491 20 0 BCADHN C[C@@H]1CCC[C@H](NC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852810143 588705007 /nfs/dbraw/zinc/70/50/07/588705007.db2.gz BUFJGCDEIVFVQN-UTLUCORTSA-N 0 3 239.319 0.785 20 0 BCADHN CCCCOCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852818213 588705229 /nfs/dbraw/zinc/70/52/29/588705229.db2.gz FODZAYXUQLGVPX-VIFPVBQESA-N 0 3 243.307 0.023 20 0 BCADHN CC(C)CN(C(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000852815082 588705304 /nfs/dbraw/zinc/70/53/04/588705304.db2.gz VPYPPLAVXOLVCP-SNVBAGLBSA-N 0 3 239.319 0.737 20 0 BCADHN CC[C@H](C)N(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852818683 588705381 /nfs/dbraw/zinc/70/53/81/588705381.db2.gz ZDKYPZCWWAMXTL-JGVFFNPUSA-N 0 3 213.281 0.347 20 0 BCADHN CC(C)[C@H]1CCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852815801 588705397 /nfs/dbraw/zinc/70/53/97/588705397.db2.gz ZXMJSCUPJHXERD-GXSJLCMTSA-N 0 3 239.319 0.737 20 0 BCADHN CCC1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852818975 588705410 /nfs/dbraw/zinc/70/54/10/588705410.db2.gz UMOAHUYOTZMFAJ-JTQLQIEISA-N 0 3 239.319 0.739 20 0 BCADHN CCCCN(C(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000852815970 588705501 /nfs/dbraw/zinc/70/55/01/588705501.db2.gz GBFOKFTWKLQKIR-SNVBAGLBSA-N 0 3 239.319 0.881 20 0 BCADHN CCC[C@@H](CC)NC(=O)C1=NO[C@H](CN)C1 ZINC000852823670 588705710 /nfs/dbraw/zinc/70/57/10/588705710.db2.gz RZNALVXYLWZOBI-BDAKNGLRSA-N 0 3 227.308 0.785 20 0 BCADHN COCCCCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852822421 588705720 /nfs/dbraw/zinc/70/57/20/588705720.db2.gz BLBSONIKFRQHGF-SECBINFHSA-N 0 3 243.307 0.023 20 0 BCADHN C[C@H](CNC(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000852820970 588705735 /nfs/dbraw/zinc/70/57/35/588705735.db2.gz GETQRVHOGWIXCB-APPZFPTMSA-N 0 3 225.292 0.252 20 0 BCADHN CC[C@H]1CCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852820270 588705758 /nfs/dbraw/zinc/70/57/58/588705758.db2.gz TXSFFINZWCVFBA-IUCAKERBSA-N 0 3 225.292 0.491 20 0 BCADHN CC[C@@H](NC)C(=O)NC1(C(=O)NC)CCCC1 ZINC000852830189 588706656 /nfs/dbraw/zinc/70/66/56/588706656.db2.gz GZUDFJFLYFVCSU-SECBINFHSA-N 0 3 241.335 0.159 20 0 BCADHN CC[C@@]1(C)CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852851165 588706830 /nfs/dbraw/zinc/70/68/30/588706830.db2.gz YDCRATJLMWXUKE-CABZTGNLSA-N 0 3 239.319 0.739 20 0 BCADHN CCC1(CNC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852837999 588707026 /nfs/dbraw/zinc/70/70/26/588707026.db2.gz BUZWSUZTFHMUNA-MRVPVSSYSA-N 0 3 225.292 0.396 20 0 BCADHN CC1(C)CCC[C@@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852841604 588707520 /nfs/dbraw/zinc/70/75/20/588707520.db2.gz NPJJIFKJBNCMIZ-WPRPVWTQSA-N 0 3 239.319 0.785 20 0 BCADHN CC(C)[C@H](C)CNC(=O)C1=NO[C@H](CN)C1 ZINC000852844599 588707642 /nfs/dbraw/zinc/70/76/42/588707642.db2.gz XVZRVMLZPKKUBA-BDAKNGLRSA-N 0 3 227.308 0.498 20 0 BCADHN CC[C@H](C)CN(CC)C(=O)C1=NO[C@H](CN)C1 ZINC000852851535 588708150 /nfs/dbraw/zinc/70/81/50/588708150.db2.gz SLQKWPYUYSMSDL-UWVGGRQHSA-N 0 3 241.335 0.985 20 0 BCADHN C[C@H](N(C)C(=O)C1=NO[C@@H](CN)C1)C1(C)CC1 ZINC000852853036 588708230 /nfs/dbraw/zinc/70/82/30/588708230.db2.gz PVEBDAMAKCKYGQ-DTWKUNHWSA-N 0 3 239.319 0.737 20 0 BCADHN CC[C@H](N)C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000852855889 588708418 /nfs/dbraw/zinc/70/84/18/588708418.db2.gz QGXYXBKZKQSQCP-XKSSXDPKSA-N 0 3 248.273 0.654 20 0 BCADHN O=C(NCCc1ccoc1)[C@@]1(F)CCNC1 ZINC000852855182 588708518 /nfs/dbraw/zinc/70/85/18/588708518.db2.gz WIYQNBZHCGEWRI-LLVKDONJSA-N 0 3 226.251 0.640 20 0 BCADHN C[C@]1(CNC(=O)[C@@]2(F)CCNC2)CC1(F)F ZINC000852855113 588708620 /nfs/dbraw/zinc/70/86/20/588708620.db2.gz FDASBXKHRJKHIM-RKDXNWHRSA-N 0 3 236.237 0.850 20 0 BCADHN Cc1cccc(NC(=O)C2=NO[C@H](CN)C2)n1 ZINC000852854278 588708687 /nfs/dbraw/zinc/70/86/87/588708687.db2.gz BPDVOBLHRRRLNB-QMMMGPOBSA-N 0 3 234.259 0.432 20 0 BCADHN C[C@]12COC[C@@H]1CN(C(=O)[C@@]1(F)CCNC1)C2 ZINC000852860332 588709133 /nfs/dbraw/zinc/70/91/33/588709133.db2.gz BWONHEJBXDLZJM-ZMLRMANQSA-N 0 3 242.294 0.183 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CCF)C1 ZINC000852860542 588709297 /nfs/dbraw/zinc/70/92/97/588709297.db2.gz GNBFEAQOFXPUMU-KXUCPTDWSA-N 0 3 214.284 0.932 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCOc2ccc(O)cc2C1 ZINC000852869225 588709429 /nfs/dbraw/zinc/70/94/29/588709429.db2.gz ZKVHRVABNGECAL-WDEREUQCSA-N 0 3 248.282 0.460 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCc2nccnc2C1 ZINC000852870597 588709462 /nfs/dbraw/zinc/70/94/62/588709462.db2.gz FXKSZNODKFIHJX-SECBINFHSA-N 0 3 246.314 0.502 20 0 BCADHN CN(C(=O)C1=NO[C@@H](CN)C1)c1cccnc1 ZINC000852868631 588709628 /nfs/dbraw/zinc/70/96/28/588709628.db2.gz KSXATQPJAPLOHZ-SECBINFHSA-N 0 3 234.259 0.148 20 0 BCADHN NC[C@H]1CC(C(=O)Nc2ccccc2O)=NO1 ZINC000852875574 588710095 /nfs/dbraw/zinc/71/00/95/588710095.db2.gz KEVZZRXBODFCLZ-SSDOTTSWSA-N 0 3 235.243 0.434 20 0 BCADHN CCc1ncc(NC(=O)C2=NO[C@@H](CN)C2)cn1 ZINC000852883469 588711221 /nfs/dbraw/zinc/71/12/21/588711221.db2.gz FWBUYZFVFMFRSS-MRVPVSSYSA-N 0 3 249.274 0.081 20 0 BCADHN C[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C[C@H]1C ZINC000852884262 588711259 /nfs/dbraw/zinc/71/12/59/588711259.db2.gz HRJRJJXALXZBFC-OPRDCNLKSA-N 0 3 239.319 0.595 20 0 BCADHN CN(CC(F)(F)F)C(=O)C1=NO[C@H](CN)C1 ZINC000852892798 588711743 /nfs/dbraw/zinc/71/17/43/588711743.db2.gz AVMFXKNHHZSUBB-YFKPBYRVSA-N 0 3 239.197 0.111 20 0 BCADHN CN(CCC1CC1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852888250 588711627 /nfs/dbraw/zinc/71/16/27/588711627.db2.gz HOJOMAMEEHEATE-SECBINFHSA-N 0 3 225.292 0.349 20 0 BCADHN CN(CC(F)(F)F)C(=O)C1=NO[C@@H](CN)C1 ZINC000852892797 588711816 /nfs/dbraw/zinc/71/18/16/588711816.db2.gz AVMFXKNHHZSUBB-RXMQYKEDSA-N 0 3 239.197 0.111 20 0 BCADHN NC[C@@H]1CC(C(=O)N[C@@H]2C[C@H]2C2CCC2)=NO1 ZINC000852893313 588711837 /nfs/dbraw/zinc/71/18/37/588711837.db2.gz NOADWRZETSASKW-LPEHRKFASA-N 0 3 237.303 0.395 20 0 BCADHN C[C@@H]1SCC[C@@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852895693 588711913 /nfs/dbraw/zinc/71/19/13/588711913.db2.gz HEOCABWEXHIGJH-FXQIFTODSA-N 0 3 243.332 0.100 20 0 BCADHN C[C@@H](NC(=O)C1=NO[C@@H](CN)C1)C(C)(C)C ZINC000852896598 588711928 /nfs/dbraw/zinc/71/19/28/588711928.db2.gz FUASWNKJNHVGPU-HTQZYQBOSA-N 0 3 227.308 0.641 20 0 BCADHN CN(CCC(C)(C)C)C(=O)C1=NO[C@H](CN)C1 ZINC000852895061 588711935 /nfs/dbraw/zinc/71/19/35/588711935.db2.gz QXTGNSQGAROACH-VIFPVBQESA-N 0 3 241.335 0.985 20 0 BCADHN NC[C@@H]1CC(C(=O)N[C@@H]2CC=CCC2)=NO1 ZINC000852895114 588712129 /nfs/dbraw/zinc/71/21/29/588712129.db2.gz XJMYZZPSVWLSPZ-BDAKNGLRSA-N 0 3 223.276 0.315 20 0 BCADHN Cc1cnn(C)c1NC(=O)[C@H](C)NC1CC1 ZINC000852902313 588712134 /nfs/dbraw/zinc/71/21/34/588712134.db2.gz LZCYEQJJJBJKTP-QMMMGPOBSA-N 0 3 222.292 0.808 20 0 BCADHN COCC1(NC(=O)[C@]2(F)CCNC2)CCCC1 ZINC000852900750 588712239 /nfs/dbraw/zinc/71/22/39/588712239.db2.gz QTVWULHQEBXMDJ-LBPRGKRZSA-N 0 3 244.310 0.763 20 0 BCADHN C[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)[C@H](C)C1 ZINC000852903167 588712487 /nfs/dbraw/zinc/71/24/87/588712487.db2.gz VRJMYZDEPNHGHJ-OPRDCNLKSA-N 0 3 239.319 0.737 20 0 BCADHN CC[C@H](C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852902202 588712569 /nfs/dbraw/zinc/71/25/69/588712569.db2.gz BZVAUMGXGJEUEN-IUCAKERBSA-N 0 3 227.308 0.642 20 0 BCADHN CCNCC(=O)NC[C@H](CC(=O)OC)C1CC1 ZINC000852910656 588712791 /nfs/dbraw/zinc/71/27/91/588712791.db2.gz YOLKCTSPQSRVOF-JTQLQIEISA-N 0 3 242.319 0.301 20 0 BCADHN CCNCC(=O)N1CCC(c2ccon2)CC1 ZINC000852915869 588713019 /nfs/dbraw/zinc/71/30/19/588713019.db2.gz PCEUEBWKMVFXSA-UHFFFAOYSA-N 0 3 237.303 0.990 20 0 BCADHN NC[C@@H]1CC(C(=O)NC2CC3(CCC3)C2)=NO1 ZINC000852914470 588713049 /nfs/dbraw/zinc/71/30/49/588713049.db2.gz XLYOOXBBXZYDOK-VIFPVBQESA-N 0 3 237.303 0.539 20 0 BCADHN CC1(C)C[C@]1(C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852915361 588713111 /nfs/dbraw/zinc/71/31/11/588713111.db2.gz DGUOOUUQJKTBHF-CPCISQLKSA-N 0 3 225.292 0.395 20 0 BCADHN CC1(C)CC(NC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852919236 588713369 /nfs/dbraw/zinc/71/33/69/588713369.db2.gz TVTXIHDGRVLXDA-MRVPVSSYSA-N 0 3 225.292 0.395 20 0 BCADHN CN(C[C@@H]1CC1(C)C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852924568 588713628 /nfs/dbraw/zinc/71/36/28/588713628.db2.gz LPJGTAJGFBAYTK-DTWKUNHWSA-N 0 3 239.319 0.595 20 0 BCADHN CCn1nccc1CNC(=O)[C@H](C)NC1CC1 ZINC000852926785 588713767 /nfs/dbraw/zinc/71/37/67/588713767.db2.gz FTTVVVNAQVMAEN-VIFPVBQESA-N 0 3 236.319 0.660 20 0 BCADHN Cc1cncn1CC(=O)O[C@@H](C)c1nnc[nH]1 ZINC000860890132 589126285 /nfs/dbraw/zinc/12/62/85/589126285.db2.gz ATZYQKXWZHKHOB-QMMMGPOBSA-N 0 3 235.247 0.614 20 0 BCADHN COCCN1CCC[C@H]1COC(C)=O ZINC000861033841 589139774 /nfs/dbraw/zinc/13/97/74/589139774.db2.gz VBNWLPQLLPAUPC-JTQLQIEISA-N 0 3 201.266 0.660 20 0 BCADHN COCCN1CCC[C@H]1COC(=O)[C@H](C)OC ZINC000861034151 589139964 /nfs/dbraw/zinc/13/99/64/589139964.db2.gz JGUAXFFXJGRQJM-QWRGUYRKSA-N 0 3 245.319 0.675 20 0 BCADHN C/C=C/CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000861646986 589172841 /nfs/dbraw/zinc/17/28/41/589172841.db2.gz XVEFJTOOFVXLEZ-UFUPEUMYSA-N 0 3 233.262 0.859 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)c3cccnn3)C[C@@H]2C1 ZINC000861774217 589176975 /nfs/dbraw/zinc/17/69/75/589176975.db2.gz JYNZNWSYZMGFJN-MNOVXSKESA-N 0 3 246.314 0.500 20 0 BCADHN Cc1ccnn1CC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000861807883 589178849 /nfs/dbraw/zinc/17/88/49/589178849.db2.gz HFCQBNSWSVYEGT-RYUDHWBXSA-N 0 3 248.330 0.354 20 0 BCADHN CN(C)CCONC(=O)c1ocnc1C(F)F ZINC000861856295 589180933 /nfs/dbraw/zinc/18/09/33/589180933.db2.gz FRQUUOVXBORHQV-UHFFFAOYSA-N 0 3 249.217 0.835 20 0 BCADHN C=CC(=O)N(C)CC(=O)NC(C)(C)CN(C)C ZINC000861941427 589183796 /nfs/dbraw/zinc/18/37/96/589183796.db2.gz AVWXPLVOLBDYIZ-UHFFFAOYSA-N 0 3 241.335 0.087 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1COCO1 ZINC000861971764 589186557 /nfs/dbraw/zinc/18/65/57/589186557.db2.gz OAHIPDBQPURLGJ-AXFHLTTASA-N 0 3 242.319 0.348 20 0 BCADHN CCN1CC[C@H](NC(=O)Cn2nccc2C)C1 ZINC000862000178 589189865 /nfs/dbraw/zinc/18/98/65/589189865.db2.gz JYKNSZGNBWBPGI-NSHDSACASA-N 0 3 236.319 0.402 20 0 BCADHN CCN(CC)CC(=O)NCc1cnn(CC)n1 ZINC000862384804 589206724 /nfs/dbraw/zinc/20/67/24/589206724.db2.gz KJAJSVLQVGPFAZ-UHFFFAOYSA-N 0 3 239.323 0.256 20 0 BCADHN CCON(CC)C(=O)CNC1CC(OC)C1 ZINC000862451356 589215153 /nfs/dbraw/zinc/21/51/53/589215153.db2.gz AXSKWGYJLBRLRU-UHFFFAOYSA-N 0 3 230.308 0.553 20 0 BCADHN CCON(CC)C(=O)CN[C@H]1COC(C)(C)C1 ZINC000862452123 589215501 /nfs/dbraw/zinc/21/55/01/589215501.db2.gz BXRUBZJEYUINHG-SNVBAGLBSA-N 0 3 244.335 0.944 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1CSC[C@H]1C ZINC000862538798 589218056 /nfs/dbraw/zinc/21/80/56/589218056.db2.gz FQVJVOAYFQJNQA-VGMNWLOBSA-N 0 3 232.349 0.736 20 0 BCADHN CCSCCN[C@H](C)C(=O)N(C)OC ZINC000862542105 589218567 /nfs/dbraw/zinc/21/85/67/589218567.db2.gz FJKVMSVFWNYJIN-MRVPVSSYSA-N 0 3 220.338 0.737 20 0 BCADHN CON(C)C(=O)[C@H](C)NC[C@@H]1CCC=CO1 ZINC000862539977 589218815 /nfs/dbraw/zinc/21/88/15/589218815.db2.gz ZDSBMULLUCTARI-UWVGGRQHSA-N 0 3 228.292 0.677 20 0 BCADHN CC[C@H](C(=O)NN1CCOC1=O)N(CC)CC ZINC000862700827 589233916 /nfs/dbraw/zinc/23/39/16/589233916.db2.gz YBMXOIFLWANTLA-SECBINFHSA-N 0 3 243.307 0.590 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)/C=C/[C@H]1CCOC1 ZINC000862725948 589236727 /nfs/dbraw/zinc/23/67/27/589236727.db2.gz DDVDPZHXCMNDLC-RUULKOMLSA-N 0 3 238.331 0.790 20 0 BCADHN CONC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000119065654 589237393 /nfs/dbraw/zinc/23/73/93/589237393.db2.gz XFKPGQXVPWISTK-VIFPVBQESA-N 0 3 217.313 0.823 20 0 BCADHN CN(C)CCCCC(=O)N[C@@H]1COCCC1=O ZINC000862934090 589247496 /nfs/dbraw/zinc/24/74/96/589247496.db2.gz NDPGRLUNRCCWGL-SNVBAGLBSA-N 0 3 242.319 0.193 20 0 BCADHN C[C@@H](N)C(=O)NCC(=O)OC1CCCCC1 ZINC000119244994 589254021 /nfs/dbraw/zinc/25/40/21/589254021.db2.gz BZNBTTJGRGFENY-MRVPVSSYSA-N 0 3 228.292 0.326 20 0 BCADHN C[C@H](N)C(=O)NCC(=O)OC1CCCCC1 ZINC000119244670 589254064 /nfs/dbraw/zinc/25/40/64/589254064.db2.gz BZNBTTJGRGFENY-QMMMGPOBSA-N 0 3 228.292 0.326 20 0 BCADHN COC/C=C\C(=O)NC[C@@H]1CCCN1C ZINC000863503447 589294481 /nfs/dbraw/zinc/29/44/81/589294481.db2.gz GGMGLJFGKGJEMU-OAQKJQOQSA-N 0 3 212.293 0.399 20 0 BCADHN CN1CCC[C@H]1CNC(=O)/C=C\[C@@H]1CCOC1 ZINC000863503150 589294514 /nfs/dbraw/zinc/29/45/14/589294514.db2.gz DDVDPZHXCMNDLC-JYYSYOFASA-N 0 3 238.331 0.790 20 0 BCADHN CN1CCC[C@H]1CNC(=O)/C=C/[C@@H]1CCOC1 ZINC000863503151 589294598 /nfs/dbraw/zinc/29/45/98/589294598.db2.gz DDVDPZHXCMNDLC-RVAOTSRCSA-N 0 3 238.331 0.790 20 0 BCADHN CCC1(CO)CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000863583924 589301703 /nfs/dbraw/zinc/30/17/03/589301703.db2.gz LQNGKQIZWSFVAA-ZJUUUORDSA-N 0 3 226.320 0.345 20 0 BCADHN CON(C)C(=O)[C@@H](C)NCC1(O)CCCC1 ZINC000863587196 589302441 /nfs/dbraw/zinc/30/24/41/589302441.db2.gz TVGIMGKEOXUPAV-SECBINFHSA-N 0 3 230.308 0.289 20 0 BCADHN O=C1[C@H](NC[C@H](O)C2CC2)CCN1C1CCC1 ZINC000863590320 589303115 /nfs/dbraw/zinc/30/31/15/589303115.db2.gz ISUSAZGXEPEKHY-NEPJUHHUSA-N 0 3 238.331 0.500 20 0 BCADHN O=C1[C@@H](NC[C@H](O)C2CC2)CCN1C1CCC1 ZINC000863590322 589303336 /nfs/dbraw/zinc/30/33/36/589303336.db2.gz ISUSAZGXEPEKHY-RYUDHWBXSA-N 0 3 238.331 0.500 20 0 BCADHN FC(F)COCc1nc(N2CCNCC2)no1 ZINC000863677866 589310597 /nfs/dbraw/zinc/31/05/97/589310597.db2.gz XXRGKCGWDLQRLE-UHFFFAOYSA-N 0 3 248.233 0.261 20 0 BCADHN CCC/C=C\C(=O)NCCN1CC[C@H](O)C1 ZINC000863829052 589321315 /nfs/dbraw/zinc/32/13/15/589321315.db2.gz APEZLUXKQXZTOT-WYGGZMRJSA-N 0 3 226.320 0.526 20 0 BCADHN C[C@H](CC(=O)NCCN1CC[C@H](O)C1)C1CC1 ZINC000863831730 589321981 /nfs/dbraw/zinc/32/19/81/589321981.db2.gz NAIXFWDDKZDIOW-PWSUYJOCSA-N 0 3 240.347 0.605 20 0 BCADHN CN(CC(=O)N[C@H]1CCn2ccnc21)C1CCC1 ZINC000863920684 589326401 /nfs/dbraw/zinc/32/64/01/589326401.db2.gz VNIPLMVPROIUJH-NSHDSACASA-N 0 3 248.330 0.928 20 0 BCADHN CN(CC(=O)[N-]OCC[NH+](C)C)C1CCC1 ZINC000863921031 589326697 /nfs/dbraw/zinc/32/66/97/589326697.db2.gz RHTMOZJMHOVWQR-UHFFFAOYSA-N 0 3 229.324 0.080 20 0 BCADHN C[C@](O)(C[C@H](O)CN1CC[C@@H]2C[C@@H]21)C1CC1 ZINC000863968369 589329753 /nfs/dbraw/zinc/32/97/53/589329753.db2.gz ILPKAMZDNKUMBE-IXOXFDKPSA-N 0 3 225.332 0.993 20 0 BCADHN C[C@@](O)(C[C@@H](O)CN1CCC[C@@H]1CO)C1CC1 ZINC000863968108 589329943 /nfs/dbraw/zinc/32/99/43/589329943.db2.gz DFMHCLAFWQDQRH-JHJVBQTASA-N 0 3 243.347 0.355 20 0 BCADHN C[C@H]1CC[C@H](NCc2cnc[nH]2)CS1(=O)=O ZINC000864049863 589334948 /nfs/dbraw/zinc/33/49/48/589334948.db2.gz MYBJQSJQCMZOLK-IUCAKERBSA-N 0 3 243.332 0.465 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1ccc(C(F)F)nc1 ZINC000864052133 589335517 /nfs/dbraw/zinc/33/55/17/589335517.db2.gz BIPNCRRQBUXVAJ-GMSGAONNSA-N 0 3 246.257 0.851 20 0 BCADHN C[C@]1(NC(=O)CCF)CN2CCC1CC2 ZINC000864084667 589341847 /nfs/dbraw/zinc/34/18/47/589341847.db2.gz LMHMRXWBXOHHBH-NSHDSACASA-N 0 3 214.284 0.947 20 0 BCADHN O[C@@H]1CCCC[C@H]1N1CCC2(C1)OCCO2 ZINC000119926321 589348327 /nfs/dbraw/zinc/34/83/27/589348327.db2.gz XMNFTZCUFOTFST-GHMZBOCLSA-N 0 3 227.304 0.739 20 0 BCADHN CC[C@@H]1[C@@H](C(=O)[N-]C2=NCCS2)CC[N@@H+]1C ZINC000864604730 589382990 /nfs/dbraw/zinc/38/29/90/589382990.db2.gz WVZFDEKXRBNQBB-DTWKUNHWSA-N 0 3 241.360 0.936 20 0 BCADHN CC[C@@H]1[C@@H](C(=O)[N-]C2=NCCS2)CC[N@H+]1C ZINC000864604730 589382992 /nfs/dbraw/zinc/38/29/92/589382992.db2.gz WVZFDEKXRBNQBB-DTWKUNHWSA-N 0 3 241.360 0.936 20 0 BCADHN CN(C)CCn1cc([C@H]2CCOC2)nn1 ZINC000864622929 589384910 /nfs/dbraw/zinc/38/49/10/589384910.db2.gz BDNFKQCBORMPAJ-VIFPVBQESA-N 0 3 210.281 0.344 20 0 BCADHN CCOC(=O)C(F)(F)n1cc([C@@H](N)CC)nn1 ZINC000864643773 589387339 /nfs/dbraw/zinc/38/73/39/589387339.db2.gz MLHHCKIUXJAJLS-LURJTMIESA-N 0 3 248.233 0.800 20 0 BCADHN CCOC(=O)C(F)(F)n1cc([C@H](N)CC)nn1 ZINC000864643774 589387443 /nfs/dbraw/zinc/38/74/43/589387443.db2.gz MLHHCKIUXJAJLS-ZCFIWIBFSA-N 0 3 248.233 0.800 20 0 BCADHN CCOC(=O)C(F)(F)n1cc([C@@H](C)N)nn1 ZINC000864644300 589387469 /nfs/dbraw/zinc/38/74/69/589387469.db2.gz SJBBVTCCCIHNLZ-RXMQYKEDSA-N 0 3 234.206 0.410 20 0 BCADHN CCONC(=O)c1cnn(CCN(C)C)c1 ZINC000864690904 589390408 /nfs/dbraw/zinc/39/04/08/589390408.db2.gz ZBVCIOZGRBZLQN-UHFFFAOYSA-N 0 3 226.280 0.126 20 0 BCADHN COC/C=C\C(=O)NC[C@@H](C)N(C)C ZINC000864828736 589397083 /nfs/dbraw/zinc/39/70/83/589397083.db2.gz SXGIBNNQVROBSN-SSJHQANKSA-N 0 3 200.282 0.255 20 0 BCADHN COC/C=C/C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000865007434 589404687 /nfs/dbraw/zinc/40/46/87/589404687.db2.gz SSVBBNHTMFHAQP-PBKGFPTLSA-N 0 3 224.304 0.542 20 0 BCADHN C[C@H](CO)SCC(=O)NC1CCN(C)CC1 ZINC000865357497 589424834 /nfs/dbraw/zinc/42/48/34/589424834.db2.gz ILBGTVMPAKLTLJ-SECBINFHSA-N 0 3 246.376 0.311 20 0 BCADHN C[C@@H](O)CNCc1cnc2c(cnn2C)c1 ZINC000865398076 589432020 /nfs/dbraw/zinc/43/20/20/589432020.db2.gz QVEIRFFBSSJCMW-MRVPVSSYSA-N 0 3 220.276 0.439 20 0 BCADHN O=c1ccc(CNCCn2cncn2)c[nH]1 ZINC000865432377 589435571 /nfs/dbraw/zinc/43/55/71/589435571.db2.gz BRFGLCFLSDFMFM-UHFFFAOYSA-N 0 3 219.248 0.169 20 0 BCADHN CN1CC[C@@H](NCc2cnc3c(cnn3C)c2)C1 ZINC000865450481 589436694 /nfs/dbraw/zinc/43/66/94/589436694.db2.gz CDFFVHLKJZWWCV-GFCCVEGCSA-N 0 3 245.330 0.762 20 0 BCADHN C[C@@H](CO)NCc1cnc2c(cnn2C)c1 ZINC000865478203 589439735 /nfs/dbraw/zinc/43/97/35/589439735.db2.gz VXHJQXCFNHLMPK-QMMMGPOBSA-N 0 3 220.276 0.439 20 0 BCADHN Cn1ncc2cc(CN[C@@H]3CCC[C@H]3O)cnc21 ZINC000865598053 589449573 /nfs/dbraw/zinc/44/95/73/589449573.db2.gz AOGBOYLXYUPOPJ-VXGBXAGGSA-N 0 3 246.314 0.971 20 0 BCADHN Cn1ncc2cc(CN[C@H]3C[C@@H](CO)C3)cnc21 ZINC000865663721 589455333 /nfs/dbraw/zinc/45/53/33/589455333.db2.gz XLGGAEZRAYWZET-WVSHTKLVSA-N 0 3 246.314 0.829 20 0 BCADHN c1ncn(-c2cc(CN[C@@H]3CCOC3)ccn2)n1 ZINC000865681771 589455932 /nfs/dbraw/zinc/45/59/32/589455932.db2.gz XYXLLHJSONIGNL-LLVKDONJSA-N 0 3 245.286 0.541 20 0 BCADHN c1cnc(CN[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cn1 ZINC000865696705 589456838 /nfs/dbraw/zinc/45/68/38/589456838.db2.gz SZBYFOUINXFRQX-XZPDDHLCSA-N 0 3 231.299 0.990 20 0 BCADHN c1n[nH]cc1CN[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865695672 589456895 /nfs/dbraw/zinc/45/68/95/589456895.db2.gz NVXPFBODTYVWNO-RNWYCLNJSA-N 0 3 219.288 0.923 20 0 BCADHN COc1cc(C)ccc1CNC[C@H](O)[C@@H](C)O ZINC000865737976 589459313 /nfs/dbraw/zinc/45/93/13/589459313.db2.gz INMGQDACEOVRSL-PWSUYJOCSA-N 0 3 239.315 0.835 20 0 BCADHN Cc1cccn2c(CNC[C@H](O)[C@@H](C)O)cnc12 ZINC000865738680 589459675 /nfs/dbraw/zinc/45/96/75/589459675.db2.gz JCSPCQWZGLPVKF-PWSUYJOCSA-N 0 3 249.314 0.474 20 0 BCADHN Cc1nc(F)ccc1CNC[C@H](O)[C@H](C)O ZINC000865739017 589459683 /nfs/dbraw/zinc/45/96/83/589459683.db2.gz MDTSXWIPXHVGLB-WPRPVWTQSA-N 0 3 228.267 0.360 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1cc2cccnc2o1 ZINC000865738589 589459955 /nfs/dbraw/zinc/45/99/55/589459955.db2.gz OENOOQQQZSWBHW-LDYMZIIASA-N 0 3 236.271 0.659 20 0 BCADHN Cc1cc(CNC[C@@H](O)[C@@H](C)O)c(C)o1 ZINC000865739815 589459970 /nfs/dbraw/zinc/45/99/70/589459970.db2.gz VJQHKZCMNRTSOK-LDYMZIIASA-N 0 3 213.277 0.728 20 0 BCADHN COc1cc(CNC[C@H](O)[C@@H](C)O)ccc1C ZINC000865739757 589459994 /nfs/dbraw/zinc/45/99/94/589459994.db2.gz USEHRUZDBLVGCZ-PWSUYJOCSA-N 0 3 239.315 0.835 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1cc2ccccc2[nH]1 ZINC000865739734 589460080 /nfs/dbraw/zinc/46/00/80/589460080.db2.gz UKJVPQCIVBGKKQ-NOZJJQNGSA-N 0 3 234.299 0.999 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1ccc(Cl)nc1 ZINC000865740014 589460158 /nfs/dbraw/zinc/46/01/58/589460158.db2.gz ZERZSYXYLZKRSK-CBAPKCEASA-N 0 3 230.695 0.566 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1ccc2c[nH]nc2c1 ZINC000865740610 589460267 /nfs/dbraw/zinc/46/02/67/589460267.db2.gz IZCRAAOFHGPXTH-PELKAZGASA-N 0 3 235.287 0.394 20 0 BCADHN Cn1cnc(CNc2cc3n(n2)CCN(C)C3)c1 ZINC000865844496 589464657 /nfs/dbraw/zinc/46/46/57/589464657.db2.gz DHLZOCFLVMABTG-UHFFFAOYSA-N 0 3 246.318 0.674 20 0 BCADHN COC[C@@H](O)CNCc1cc(C)oc1C ZINC000120760803 589465008 /nfs/dbraw/zinc/46/50/08/589465008.db2.gz DXVOEOCPRPUIPD-NSHDSACASA-N 0 3 213.277 0.993 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2nccc(N)n2)C1 ZINC000865925733 589468679 /nfs/dbraw/zinc/46/86/79/589468679.db2.gz NOZFUUFRRZHMCD-VIFPVBQESA-N 0 3 249.318 0.055 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1nccc(N)n1 ZINC000865946413 589469875 /nfs/dbraw/zinc/46/98/75/589469875.db2.gz HLQPFHIWPLWONV-VIFPVBQESA-N 0 3 249.318 0.103 20 0 BCADHN CC(C)(O)CN1CC[C@H](Nc2ncccn2)C1 ZINC000865996598 589472033 /nfs/dbraw/zinc/47/20/33/589472033.db2.gz MDABDYDPQRTBEC-JTQLQIEISA-N 0 3 236.319 0.734 20 0 BCADHN Cc1nnc(N[C@H]2CCN(CC(C)(C)O)C2)o1 ZINC000865998999 589472047 /nfs/dbraw/zinc/47/20/47/589472047.db2.gz VWGSQLHRBVDFQT-VIFPVBQESA-N 0 3 240.307 0.635 20 0 BCADHN CN(C(=O)[C@H]1CCC(=O)O1)[C@H]1CCCN(C)C1 ZINC000866067384 589474622 /nfs/dbraw/zinc/47/46/22/589474622.db2.gz CTYXYWBLFUSWNR-VHSXEESVSA-N 0 3 240.303 0.245 20 0 BCADHN CS[C@H]1C[C@H](N[C@@H](C)CS(C)(=O)=O)C1 ZINC000866486644 589496379 /nfs/dbraw/zinc/49/63/79/589496379.db2.gz NDZKISFFFLPUFG-CIUDSAMLSA-N 0 3 237.390 0.903 20 0 BCADHN COC[C@H](C)OC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000866596505 589502701 /nfs/dbraw/zinc/50/27/01/589502701.db2.gz GMNSCZSBPYUYTQ-UWVGGRQHSA-N 0 3 242.319 0.984 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]C[C@H]2C[C@@H]([NH3+])C2)o1 ZINC000866807335 589519198 /nfs/dbraw/zinc/51/91/98/589519198.db2.gz ZNSCMKBBCDZCTF-DTORHVGOSA-N 0 3 244.316 0.604 20 0 BCADHN CC[C@H](N)C(=O)N[C@@](C)(CC)CC(=O)OC ZINC000121768756 589531629 /nfs/dbraw/zinc/53/16/29/589531629.db2.gz ZQORBXLYLWQHPZ-KWQFWETISA-N 0 3 230.308 0.572 20 0 BCADHN NC1(C(=O)NC[C@@H]2CCC23CCOCC3)CC1 ZINC000867992589 589542709 /nfs/dbraw/zinc/54/27/09/589542709.db2.gz GMOVBUMJZUVWSI-JTQLQIEISA-N 0 3 238.331 0.801 20 0 BCADHN CN1Cc2ccccc2[C@H]1CNC(=O)C1(N)CC1 ZINC000867998400 589543105 /nfs/dbraw/zinc/54/31/05/589543105.db2.gz BJQCEDPVSZFBLJ-GFCCVEGCSA-N 0 3 245.326 0.781 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1c2ccccc2CN1C ZINC000867998806 589543177 /nfs/dbraw/zinc/54/31/77/589543177.db2.gz INUWKPGRCSIADO-JOYOIKCWSA-N 0 3 233.315 0.637 20 0 BCADHN COC/C=C/C(=O)NC1(CN(C)C)CCC1 ZINC000868020647 589544399 /nfs/dbraw/zinc/54/43/99/589544399.db2.gz TYAWIQLNONFQCT-GQCTYLIASA-N 0 3 226.320 0.790 20 0 BCADHN CC(C)NCC(=O)N[C@@H](C)c1ccnn1C ZINC000868025253 589544980 /nfs/dbraw/zinc/54/49/80/589544980.db2.gz BUWMYMBQIWIFJL-VIFPVBQESA-N 0 3 224.308 0.595 20 0 BCADHN C[C@@H](N)C(=O)NC1([C@H]2CCCCO2)CCC1 ZINC000868047100 589546834 /nfs/dbraw/zinc/54/68/34/589546834.db2.gz LMNYDNODKHBUSN-NXEZZACHSA-N 0 3 226.320 0.942 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000868065888 589547684 /nfs/dbraw/zinc/54/76/84/589547684.db2.gz DRUHHAXZOMZHGV-WLRJLXCNSA-N 0 3 224.304 0.263 20 0 BCADHN Cn1ccnc1-c1noc(C[C@H]2CNCCO2)n1 ZINC000122171627 589560652 /nfs/dbraw/zinc/56/06/52/589560652.db2.gz IHXGASBLWNBIIR-QMMMGPOBSA-N 0 3 249.274 0.001 20 0 BCADHN COC(=O)CCN(CC(C)C)CC1OCCO1 ZINC000122232293 589567522 /nfs/dbraw/zinc/56/75/22/589567522.db2.gz WYCSTQMEVLLIMZ-UHFFFAOYSA-N 0 3 245.319 0.880 20 0 BCADHN COC/C=C\C(=O)NCC1(N(C)C)CC1 ZINC000868896085 589581689 /nfs/dbraw/zinc/58/16/89/589581689.db2.gz HLMHDBJZCNUGBH-PLNGDYQASA-N 0 3 212.293 0.399 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1noc(C)n1 ZINC000122466058 589592629 /nfs/dbraw/zinc/59/26/29/589592629.db2.gz CPGLVHRDEXTCMQ-SECBINFHSA-N 0 3 238.291 0.592 20 0 BCADHN CC(C)C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869783422 589629838 /nfs/dbraw/zinc/62/98/38/589629838.db2.gz IUZDPEHZYBJUSC-JTQLQIEISA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)c1cnn(CC)n1 ZINC000870546267 589672998 /nfs/dbraw/zinc/67/29/98/589672998.db2.gz BBXLEBIZUHAQDB-SECBINFHSA-N 0 3 240.307 0.795 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)[C@H](CC)NC(C)=O ZINC000870545411 589673202 /nfs/dbraw/zinc/67/32/02/589673202.db2.gz MDHPDXRKYAUBQR-QWRGUYRKSA-N 0 3 244.335 0.785 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000870548574 589673457 /nfs/dbraw/zinc/67/34/57/589673457.db2.gz OPLDXFCVNGQSJX-UKKRHICBSA-N 0 3 227.304 0.762 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)[C@@H](C)OC ZINC000870552599 589674701 /nfs/dbraw/zinc/67/47/01/589674701.db2.gz WNLLHXBIAAYHGM-RKDXNWHRSA-N 0 3 203.282 0.905 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)c1cnnn1C ZINC000870552228 589674738 /nfs/dbraw/zinc/67/47/38/589674738.db2.gz DNPMEIXVMHIGNM-QMMMGPOBSA-N 0 3 226.280 0.312 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)[C@@H](C)OC ZINC000870552596 589674806 /nfs/dbraw/zinc/67/48/06/589674806.db2.gz WNLLHXBIAAYHGM-BDAKNGLRSA-N 0 3 203.282 0.905 20 0 BCADHN CC(C)[C@H](CN(C)C)OC(=O)c1ncn(C)n1 ZINC000870567679 589675303 /nfs/dbraw/zinc/67/53/03/589675303.db2.gz SWLCOOGTBYEJLL-VIFPVBQESA-N 0 3 240.307 0.558 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)c1cncnc1 ZINC000870553650 589675710 /nfs/dbraw/zinc/67/57/10/589675710.db2.gz OKHPKCZCUKZQSN-JTQLQIEISA-N 0 3 223.276 0.974 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)CN(C)C(C)=O ZINC000870554320 589675760 /nfs/dbraw/zinc/67/57/60/589675760.db2.gz FCQDVZYQGOLIQX-SNVBAGLBSA-N 0 3 230.308 0.348 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)c1cnn(C)c1 ZINC000870554420 589675823 /nfs/dbraw/zinc/67/58/23/589675823.db2.gz HFQFNBRUAWPBNH-SNVBAGLBSA-N 0 3 225.292 0.917 20 0 BCADHN CCC[C@@H](O)CNc1cc(C)nc(N)n1 ZINC000123257281 589683443 /nfs/dbraw/zinc/68/34/43/589683443.db2.gz PFAQMSOFBNMPKN-MRVPVSSYSA-N 0 3 210.281 0.940 20 0 BCADHN CC1(C)C[C@H](O)CN(C(=O)[C@]2(F)CCNC2)C1 ZINC000870987267 589706773 /nfs/dbraw/zinc/70/67/73/589706773.db2.gz XHDOSWAFTAJLQD-CABZTGNLSA-N 0 3 244.310 0.307 20 0 BCADHN C[C@H](NC(=O)[C@]1(F)CCNC1)c1ccnn1C ZINC000871011835 589711249 /nfs/dbraw/zinc/71/12/49/589711249.db2.gz ZVLUXAYAYFNORF-KWQFWETISA-N 0 3 240.282 0.299 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1ccn(CCF)n1 ZINC000871011016 589711442 /nfs/dbraw/zinc/71/14/42/589711442.db2.gz MOWZSYBZMRJXEF-VIFPVBQESA-N 0 3 228.271 0.774 20 0 BCADHN CN1CCN(C(=O)C2(O)CCC2)CCC1(C)C ZINC000871156101 589739674 /nfs/dbraw/zinc/73/96/74/589739674.db2.gz NRPNUDXEOAJMON-UHFFFAOYSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871154825 589740404 /nfs/dbraw/zinc/74/04/04/589740404.db2.gz KLFREMCMZMMTDV-VIFPVBQESA-N 0 3 214.309 0.310 20 0 BCADHN CN(C)CCNC(=S)N[C@@H]1CC12CCC2 ZINC000871689836 589791343 /nfs/dbraw/zinc/79/13/43/589791343.db2.gz QKKSBEVPNYCXBN-SECBINFHSA-N 0 3 227.377 0.955 20 0 BCADHN Cn1ccnc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000871763882 589809025 /nfs/dbraw/zinc/80/90/25/589809025.db2.gz APTQVWLMSKZCKQ-WDEREUQCSA-N 0 3 248.330 0.729 20 0 BCADHN Cc1noc(CONC(=N)COC2CCC2)n1 ZINC000871777114 589813970 /nfs/dbraw/zinc/81/39/70/589813970.db2.gz ZQQVIGSNRLVKIB-UHFFFAOYSA-N 0 3 240.263 0.946 20 0 BCADHN C[C@@H]1C[C@H](C)N1C[C@@H](O)CC(C)(C)O ZINC000871981822 589851504 /nfs/dbraw/zinc/85/15/04/589851504.db2.gz OJFFKFQOJKTYIS-AEJSXWLSSA-N 0 3 201.310 0.991 20 0 BCADHN CCN1CCN(C[C@@H](O)CC(C)(C)O)C[C@@H]1C ZINC000871978139 589851071 /nfs/dbraw/zinc/85/10/71/589851071.db2.gz KLYLHTZDRBVIHG-RYUDHWBXSA-N 0 3 244.379 0.534 20 0 BCADHN CCOC(=O)[C@H](C)C1CN(CC(C)(C)O)C1 ZINC000871992252 589854361 /nfs/dbraw/zinc/85/43/61/589854361.db2.gz DCADYQVMCMVLPF-SECBINFHSA-N 0 3 229.320 0.888 20 0 BCADHN CO[C@H]1C[C@@H](CN2CC[C@@H](F)[C@H](N)C2)C1 ZINC000872145299 589884473 /nfs/dbraw/zinc/88/44/73/589884473.db2.gz ONTLJLNLSJSMIP-LMLFDSFASA-N 0 3 216.300 0.783 20 0 BCADHN C[C@H](NC[C@H]1C[C@H](O)C1)c1ccn(C)n1 ZINC000872127410 589876740 /nfs/dbraw/zinc/87/67/40/589876740.db2.gz RZMQOVRXCHYYCO-GUBZILKMSA-N 0 3 209.293 0.842 20 0 BCADHN Cc1conc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000872145261 589884268 /nfs/dbraw/zinc/88/42/68/589884268.db2.gz OIBSACQNLZUXDB-RKDXNWHRSA-N 0 3 213.256 0.854 20 0 BCADHN CON(C)C(=O)CCNCc1ccnc(F)c1 ZINC000872223378 589896527 /nfs/dbraw/zinc/89/65/27/589896527.db2.gz QCBXMQZSSQJKQH-UHFFFAOYSA-N 0 3 241.266 0.720 20 0 BCADHN Cc1ccc([C@H](O)CNC[C@H](O)[C@H](C)O)cc1 ZINC000872225159 589897044 /nfs/dbraw/zinc/89/70/44/589897044.db2.gz ZEZZBJHPXZTRKN-WCFLWFBJSA-N 0 3 239.315 0.360 20 0 BCADHN C[C@H](NC[C@H](O)Cn1cccn1)c1ccnn1C ZINC000872238039 589898860 /nfs/dbraw/zinc/89/88/60/589898860.db2.gz DJMVFAIWCRMCEZ-QWRGUYRKSA-N 0 3 249.318 0.328 20 0 BCADHN CS(=O)(=O)CCNCC[C@@H](O)C1CCCC1 ZINC000872241778 589899578 /nfs/dbraw/zinc/89/95/78/589899578.db2.gz SVTPXLUVNYLGGK-LLVKDONJSA-N 0 3 249.376 0.562 20 0 BCADHN c1ncc(CN2C[C@@H]3COC[C@@H]3C2)cn1 ZINC000872267274 589902846 /nfs/dbraw/zinc/90/28/46/589902846.db2.gz WWGZHXRACHHJOB-PHIMTYICSA-N 0 3 205.261 0.555 20 0 BCADHN CN(C[C@H](O)C1CC1)[C@H]1CCCCN(C)C1=O ZINC000872266095 589903056 /nfs/dbraw/zinc/90/30/56/589903056.db2.gz PTYHJWJBNYBKRJ-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN Cc1cnc(CN2C[C@@H]3COC[C@@H]3C2)cn1 ZINC000872267198 589903121 /nfs/dbraw/zinc/90/31/21/589903121.db2.gz SJDLDDQTADXRTA-PHIMTYICSA-N 0 3 219.288 0.863 20 0 BCADHN CC1(C)CCNCCN1C(=O)c1cc[n+]([O-])cc1 ZINC000872289966 589906350 /nfs/dbraw/zinc/90/63/50/589906350.db2.gz HERJWPMFXKKUDN-UHFFFAOYSA-N 0 3 249.314 0.534 20 0 BCADHN CC1(C)CCNCCN1C(=O)c1ccc[n+]([O-])c1 ZINC000872290250 589906683 /nfs/dbraw/zinc/90/66/83/589906683.db2.gz JZKZRTGADQMLFY-UHFFFAOYSA-N 0 3 249.314 0.534 20 0 BCADHN CC1(C)CCNCCN1C(=O)c1cocn1 ZINC000872298531 589907701 /nfs/dbraw/zinc/90/77/01/589907701.db2.gz NFSXDKJNXCCPFD-UHFFFAOYSA-N 0 3 223.276 0.889 20 0 BCADHN Cc1nc(C(=O)N2CCNCCC2(C)C)c[nH]1 ZINC000872298503 589907835 /nfs/dbraw/zinc/90/78/35/589907835.db2.gz MVHAYSRINHJELC-UHFFFAOYSA-N 0 3 236.319 0.932 20 0 BCADHN Cn1nncc1C(=O)N1CCNCCC1(C)C ZINC000872298164 589908301 /nfs/dbraw/zinc/90/83/01/589908301.db2.gz BKOVPOGUJMZVRD-UHFFFAOYSA-N 0 3 237.307 0.029 20 0 BCADHN CC[C@@H](N)C(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872308852 589908674 /nfs/dbraw/zinc/90/86/74/589908674.db2.gz KCKWRFYETHJFKD-KKZNHRDASA-N 0 3 212.293 0.552 20 0 BCADHN O=C(CN[C@]12CCC[C@H]1OCC2)N1CCC1 ZINC000872314244 589909462 /nfs/dbraw/zinc/90/94/62/589909462.db2.gz VZLJDGGVJAHHLZ-PWSUYJOCSA-N 0 3 224.304 0.520 20 0 BCADHN COC(CN[C@]12CCC[C@H]1OCC2)OC ZINC000872314985 589909747 /nfs/dbraw/zinc/90/97/47/589909747.db2.gz JRCQDPDHGDWCRM-KOLCDFICSA-N 0 3 215.293 0.907 20 0 BCADHN CN1CCN(C(=O)C2(N)CC2)Cc2cccnc21 ZINC000872314950 589909978 /nfs/dbraw/zinc/90/99/78/589909978.db2.gz RLERSOCXBJGLER-UHFFFAOYSA-N 0 3 246.314 0.351 20 0 BCADHN CN(C)CCNc1nc(N)nc(C(F)F)n1 ZINC000872387355 589930506 /nfs/dbraw/zinc/93/05/06/589930506.db2.gz QPWHFXOOAJGKAJ-UHFFFAOYSA-N 0 3 232.238 0.365 20 0 BCADHN C[C@@H](CNc1nc(N)nc(C(F)F)n1)N(C)C ZINC000872425259 589938442 /nfs/dbraw/zinc/93/84/42/589938442.db2.gz MRQHMUBDBSBRCU-YFKPBYRVSA-N 0 3 246.265 0.753 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Nc1cnc(CN[C@H]2CNCCC2(F)F)cn1 ZINC000873212132 589996021 /nfs/dbraw/zinc/99/60/21/589996021.db2.gz HOOXEEQCHTZFSJ-QMMMGPOBSA-N 0 3 243.261 0.146 20 0 BCADHN COC[C@H](C)NCC(=O)NCC1CC1 ZINC000020041949 590069748 /nfs/dbraw/zinc/06/97/48/590069748.db2.gz CITHHTAYUGKEGT-QMMMGPOBSA-N 0 3 200.282 0.137 20 0 BCADHN C[C@H](CNC(=O)[C@@H](C)N(C)C)N1CCCCC1 ZINC000874112068 590092490 /nfs/dbraw/zinc/09/24/90/590092490.db2.gz NBRFRCNZYKNRDR-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN Cn1ccsc1=NC(=O)C[C@H]1CCN(C)C1 ZINC000874263047 590100532 /nfs/dbraw/zinc/10/05/32/590100532.db2.gz QWWPGPTXNBMALG-SECBINFHSA-N 0 3 239.344 0.856 20 0 BCADHN C[C@H](CNC(=O)[C@H]1C[C@@H](O)C1)N1CCCC1 ZINC000874379558 590106771 /nfs/dbraw/zinc/10/67/71/590106771.db2.gz ONPNYZFFVZZSNY-MXWKQRLJSA-N 0 3 226.320 0.358 20 0 BCADHN CN(C)Cc1ccc(-c2noc(C(N)=O)n2)cc1 ZINC000874435556 590110562 /nfs/dbraw/zinc/11/05/62/590110562.db2.gz XJWLPNCAAJYKTR-UHFFFAOYSA-N 0 3 246.270 0.897 20 0 BCADHN COC(OC)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000874457578 590113098 /nfs/dbraw/zinc/11/30/98/590113098.db2.gz PPBPCNZUNVIABD-JTQLQIEISA-N 0 3 242.319 0.300 20 0 BCADHN C[C@@H](C(=O)N1CC[C@@H]2[C@H]1CCCN2C)N(C)C ZINC000874822162 590141106 /nfs/dbraw/zinc/14/11/06/590141106.db2.gz GKIBRNVPZUCDEM-QJPTWQEYSA-N 0 3 239.363 0.632 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)CC(C)(C)O ZINC000874829527 590142256 /nfs/dbraw/zinc/14/22/56/590142256.db2.gz LTAXMOANBWTDNP-MNOVXSKESA-N 0 3 240.347 0.843 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Cn1ccnc1 ZINC000874830018 590142731 /nfs/dbraw/zinc/14/27/31/590142731.db2.gz PSTQZAZHHQRZDI-NEPJUHHUSA-N 0 3 248.330 0.578 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874827922 590142784 /nfs/dbraw/zinc/14/27/84/590142784.db2.gz FMGMACMDHFZBPV-SRVKXCTJSA-N 0 3 240.347 0.698 20 0 BCADHN Cn1nncc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874829301 590142804 /nfs/dbraw/zinc/14/28/04/590142804.db2.gz LPYWTHMLPUSVRL-ZJUUUORDSA-N 0 3 249.318 0.124 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccncn1 ZINC000874833226 590143209 /nfs/dbraw/zinc/14/32/09/590143209.db2.gz KFBIBKKUXCHGSJ-RYUDHWBXSA-N 0 3 246.314 0.785 20 0 BCADHN Cn1ncc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)n1 ZINC000874831080 590143461 /nfs/dbraw/zinc/14/34/61/590143461.db2.gz XWILTBBAFMQECT-WDEREUQCSA-N 0 3 249.318 0.124 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCCO1 ZINC000874831846 590143500 /nfs/dbraw/zinc/14/35/00/590143500.db2.gz BUXUBELSMPYHKX-IJLUTSLNSA-N 0 3 238.331 0.861 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccncn1 ZINC000874833227 590144098 /nfs/dbraw/zinc/14/40/98/590144098.db2.gz KFBIBKKUXCHGSJ-VXGBXAGGSA-N 0 3 246.314 0.785 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cncnc1 ZINC000874832426 590144158 /nfs/dbraw/zinc/14/41/58/590144158.db2.gz FLSINFYAQNIBJR-VXGBXAGGSA-N 0 3 246.314 0.785 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ncccn1 ZINC000874839501 590144614 /nfs/dbraw/zinc/14/46/14/590144614.db2.gz XDJCCQZURUZLRN-QWRGUYRKSA-N 0 3 246.314 0.785 20 0 BCADHN Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cn1 ZINC000874845093 590144970 /nfs/dbraw/zinc/14/49/70/590144970.db2.gz FYOJSFSBVSLQBG-NWDGAFQWSA-N 0 3 248.330 0.729 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc[nH]n1 ZINC000874843774 590145537 /nfs/dbraw/zinc/14/55/37/590145537.db2.gz RGPNQIVGWUEHTG-GHMZBOCLSA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccn[nH]1 ZINC000874843774 590145538 /nfs/dbraw/zinc/14/55/38/590145538.db2.gz RGPNQIVGWUEHTG-GHMZBOCLSA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cnccn1 ZINC000874850208 590146036 /nfs/dbraw/zinc/14/60/36/590146036.db2.gz PCUGVHKVHLFGAD-RYUDHWBXSA-N 0 3 246.314 0.785 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@H](C(C)(C)O)C1)N(C)C ZINC000874877873 590152667 /nfs/dbraw/zinc/15/26/67/590152667.db2.gz DTJPJMUTVSKNJV-QWRGUYRKSA-N 0 3 242.363 0.946 20 0 BCADHN CCON(CC)C(=O)NCCOCCN(C)C ZINC000875524382 590165004 /nfs/dbraw/zinc/16/50/04/590165004.db2.gz VJFLJVXARMJQKP-UHFFFAOYSA-N 0 3 247.339 0.548 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Nc1ncccn1 ZINC000888700277 590187899 /nfs/dbraw/zinc/18/78/99/590187899.db2.gz PAWFFGQTRMKHLL-QMMMGPOBSA-N 0 3 223.280 0.548 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccc2c(c1)CCN2 ZINC000876515875 590206473 /nfs/dbraw/zinc/20/64/73/590206473.db2.gz GGXYNNBPJCLWIZ-NSHDSACASA-N 0 3 248.330 0.482 20 0 BCADHN CC/C=C(/F)C(=O)N1CCN(C)C[C@H]1CN ZINC000876542884 590212674 /nfs/dbraw/zinc/21/26/74/590212674.db2.gz YRSDQVARDFJQPR-BZFUBLJMSA-N 0 3 229.299 0.351 20 0 BCADHN CCC[C@H](CC)C(=O)N1CCN(C)C[C@H]1CN ZINC000876542180 590212710 /nfs/dbraw/zinc/21/27/10/590212710.db2.gz LGCZSAHNWNMDTJ-NWDGAFQWSA-N 0 3 241.379 0.914 20 0 BCADHN COCCNC(=S)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000126003143 590213690 /nfs/dbraw/zinc/21/36/90/590213690.db2.gz QMEKFAVPCWUYSN-VHSXEESVSA-N 0 3 245.392 0.580 20 0 BCADHN COCCNC(=S)N[C@H]1CCN(C)[C@H](C)C1 ZINC000126003379 590213778 /nfs/dbraw/zinc/21/37/78/590213778.db2.gz QMEKFAVPCWUYSN-ZJUUUORDSA-N 0 3 245.392 0.580 20 0 BCADHN CCOCCOC[C@H](O)CNCc1ccoc1 ZINC000126020473 590215087 /nfs/dbraw/zinc/21/50/87/590215087.db2.gz DLRPRTNDWVSEND-GFCCVEGCSA-N 0 3 243.303 0.783 20 0 BCADHN CCN(CCC[C@H]1CCO1)CC(=O)NC ZINC000876577958 590218049 /nfs/dbraw/zinc/21/80/49/590218049.db2.gz WBOUSTYPZFWSAQ-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CO[C@](C)(CN1CCCNC(=O)C1)C1CC1 ZINC000876639825 590224687 /nfs/dbraw/zinc/22/46/87/590224687.db2.gz KDUIAVJJQLBAPA-GFCCVEGCSA-N 0 3 226.320 0.623 20 0 BCADHN O=C1CN(CC2CCSCC2)CCCN1 ZINC000876639763 590225052 /nfs/dbraw/zinc/22/50/52/590225052.db2.gz IQGQSIWJBCRMIE-UHFFFAOYSA-N 0 3 228.361 0.952 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC1(c2ccccc2)CC1 ZINC000876641808 590225895 /nfs/dbraw/zinc/22/58/95/590225895.db2.gz TZLFODGIJCVESN-LBPRGKRZSA-N 0 3 247.342 0.681 20 0 BCADHN CCN[C@@H](C)C(=O)NC(C)(C)CCC(=O)OC ZINC000876662314 590227331 /nfs/dbraw/zinc/22/73/31/590227331.db2.gz VUEOWSXEDGPRMZ-VIFPVBQESA-N 0 3 244.335 0.832 20 0 BCADHN C[C@H]1SCCN(C(=O)[C@@H](N)CN(C)C)[C@H]1C ZINC000876670154 590228725 /nfs/dbraw/zinc/22/87/25/590228725.db2.gz HNQQTHNOONQQHQ-AEJSXWLSSA-N 0 3 245.392 0.228 20 0 BCADHN CCCC[C@H](COC)NC(=O)[C@@H](N)CN(C)C ZINC000876672466 590228891 /nfs/dbraw/zinc/22/88/91/590228891.db2.gz DHMJSQOVYVIINB-MNOVXSKESA-N 0 3 245.367 0.197 20 0 BCADHN C[C@@H]1[C@@H](C)CCN1C(=O)[C@@H](N)CN(C)C ZINC000876701441 590231701 /nfs/dbraw/zinc/23/17/01/590231701.db2.gz SZKDZRULQRMYRT-AEJSXWLSSA-N 0 3 213.325 0.132 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@](C)(CC)CC(=O)OC ZINC000876700716 590231732 /nfs/dbraw/zinc/23/17/32/590231732.db2.gz IIILQMNXMAPANL-SKDRFNHKSA-N 0 3 244.335 0.832 20 0 BCADHN CO[C@@H]1CN[C@@](C)(C(=O)N(C)c2cn[nH]c2)C1 ZINC000876779042 590240149 /nfs/dbraw/zinc/24/01/49/590240149.db2.gz VCIWBIOVWLZYFX-GXSJLCMTSA-N 0 3 238.291 0.140 20 0 BCADHN Cc1ccnn1CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000876855905 590250071 /nfs/dbraw/zinc/25/00/71/590250071.db2.gz GERCNWXPBCGGOE-UWVGGRQHSA-N 0 3 240.282 0.008 20 0 BCADHN O[C@@]1(CNCc2ccc(Cl)nc2)CCOC1 ZINC000126201911 590252559 /nfs/dbraw/zinc/25/25/59/590252559.db2.gz UUSCGSKOKMXVMY-LLVKDONJSA-N 0 3 242.706 0.976 20 0 BCADHN OCCOCCNC[C@H]1CC1(Cl)Cl ZINC000876888278 590254147 /nfs/dbraw/zinc/25/41/47/590254147.db2.gz CGAJAIWRAJSXPU-SSDOTTSWSA-N 0 3 228.119 0.779 20 0 BCADHN CC/C=C(\F)C(=O)NC[C@@H]1CNCCO1 ZINC000876917814 590256690 /nfs/dbraw/zinc/25/66/90/590256690.db2.gz WVRSARLAZCQMOF-CLJBBPMWSA-N 0 3 216.256 0.354 20 0 BCADHN CC/C=C(/F)C(=O)NC[C@H]1CNCCO1 ZINC000876917817 590256771 /nfs/dbraw/zinc/25/67/71/590256771.db2.gz WVRSARLAZCQMOF-KLUICZCQSA-N 0 3 216.256 0.354 20 0 BCADHN O=C1C[C@@H](NC[C@@H](O)c2ccco2)CCCN1 ZINC000876917041 590256887 /nfs/dbraw/zinc/25/68/87/590256887.db2.gz MHLONROYIFHGPO-VHSXEESVSA-N 0 3 238.287 0.571 20 0 BCADHN CCc1cc(NC(=O)[C@@H]2OCC[C@@H]2N)nn1C ZINC000876930248 590258136 /nfs/dbraw/zinc/25/81/36/590258136.db2.gz UOUIAMVGSYWTBL-WCBMZHEXSA-N 0 3 238.291 0.037 20 0 BCADHN CCN[C@H](C)C(=O)N1CC[C@](F)(C(=O)OC)C1 ZINC000876956485 590259924 /nfs/dbraw/zinc/25/99/24/590259924.db2.gz LJWLRKGVUQJOTI-LDYMZIIASA-N 0 3 246.282 0.098 20 0 BCADHN Nc1c(F)cccc1CNC[C@@H]1COCCO1 ZINC000876951926 590260494 /nfs/dbraw/zinc/26/04/94/590260494.db2.gz RWDNXFUCCDKTAC-SNVBAGLBSA-N 0 3 240.278 0.913 20 0 BCADHN N[C@@H]1CN(C(=O)c2cc(Cl)no2)CC[C@H]1F ZINC000876978444 590263990 /nfs/dbraw/zinc/26/39/90/590263990.db2.gz KELUUZWNQUTELJ-PHDIDXHHSA-N 0 3 247.657 0.839 20 0 BCADHN NCc1cccc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000876988431 590265571 /nfs/dbraw/zinc/26/55/71/590265571.db2.gz GAWCCGWOVLGJFS-PHIMTYICSA-N 0 3 247.298 0.139 20 0 BCADHN CC(C)[C@H]1CNCCN1C(=O)[C@H](C)NC1CC1 ZINC000876998720 590267306 /nfs/dbraw/zinc/26/73/06/590267306.db2.gz QGYVVQRLSYWTCX-CMPLNLGQSA-N 0 3 239.363 0.583 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CC=C(C(=O)OC)C1 ZINC000877001497 590267329 /nfs/dbraw/zinc/26/73/29/590267329.db2.gz CUVYRKRIRLYLPH-RKDXNWHRSA-N 0 3 226.276 0.102 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H]1CC=C(C(=O)OC)C1 ZINC000877002412 590267964 /nfs/dbraw/zinc/26/79/64/590267964.db2.gz ULJMQGGIOJVHGL-WCBMZHEXSA-N 0 3 240.303 0.362 20 0 BCADHN CCNCC(=O)N[C@]12C[C@H]1COC2(C)C ZINC000877005521 590268306 /nfs/dbraw/zinc/26/83/06/590268306.db2.gz SLTAHAOBCXPYDF-GZMMTYOYSA-N 0 3 212.293 0.280 20 0 BCADHN CCNCC(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000877005522 590268495 /nfs/dbraw/zinc/26/84/95/590268495.db2.gz SLTAHAOBCXPYDF-KCJUWKMLSA-N 0 3 212.293 0.280 20 0 BCADHN O=C(Nc1cnn(CCF)c1)[C@@]1(F)CCNC1 ZINC000877013015 590268957 /nfs/dbraw/zinc/26/89/57/590268957.db2.gz IXPHPPWEHIHWCL-SNVBAGLBSA-N 0 3 244.245 0.493 20 0 BCADHN O=C(N(C1CC1)C1CC1)[C@]1(F)CCNC1 ZINC000877023037 590270650 /nfs/dbraw/zinc/27/06/50/590270650.db2.gz BKKMFUYXSPZTBT-NSHDSACASA-N 0 3 212.268 0.841 20 0 BCADHN CCOC(=O)C1=CC[C@@H](NC(=O)[C@H](C)NC)C1 ZINC000877026147 590271125 /nfs/dbraw/zinc/27/11/25/590271125.db2.gz FVYZRSMNNLXEAK-WCBMZHEXSA-N 0 3 240.303 0.362 20 0 BCADHN CCOC(=O)C1=CC[C@H](NC(=O)C2(N)CC2)C1 ZINC000877028446 590271619 /nfs/dbraw/zinc/27/16/19/590271619.db2.gz WMVRMHBVYCABQP-VIFPVBQESA-N 0 3 238.287 0.246 20 0 BCADHN CCOC(=O)C1=CC[C@@H](NC(=O)C2(N)CC2)C1 ZINC000877028445 590271635 /nfs/dbraw/zinc/27/16/35/590271635.db2.gz WMVRMHBVYCABQP-SECBINFHSA-N 0 3 238.287 0.246 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000877043489 590273987 /nfs/dbraw/zinc/27/39/87/590273987.db2.gz KHYPWSFQJZTNCQ-YOQJGNTNSA-N 0 3 244.310 0.616 20 0 BCADHN O=C(N[C@@H]1CO[C@H](C2CC2)C1)[C@@]1(F)CCNC1 ZINC000877065802 590276697 /nfs/dbraw/zinc/27/66/97/590276697.db2.gz WNINYXXZPLCNEL-JBLDHEPKSA-N 0 3 242.294 0.372 20 0 BCADHN O=C(N1CCO[C@@H](CCF)C1)[C@@]1(F)CCNC1 ZINC000877061515 590276903 /nfs/dbraw/zinc/27/69/03/590276903.db2.gz JUUIPAAWKNKVFG-GXSJLCMTSA-N 0 3 248.273 0.275 20 0 BCADHN CCNCC(=O)Nc1cc(C)nn1CC ZINC000877068284 590277194 /nfs/dbraw/zinc/27/71/94/590277194.db2.gz ULRBLDMHYRCVFN-UHFFFAOYSA-N 0 3 210.281 0.759 20 0 BCADHN CO[C@H](CNC[C@H](O)c1cnn(C)c1)C1CC1 ZINC000877071800 590277713 /nfs/dbraw/zinc/27/77/13/590277713.db2.gz CFQAWMBXGGEUNN-NWDGAFQWSA-N 0 3 239.319 0.468 20 0 BCADHN COCC1(CNC2CN(C(=O)OC)C2)CCC1 ZINC000877098488 590282386 /nfs/dbraw/zinc/28/23/86/590282386.db2.gz RTZXTJVXCXTRRG-UHFFFAOYSA-N 0 3 242.319 0.843 20 0 BCADHN C[C@@H](Cc1cnccn1)NCC1(C)OCCO1 ZINC000877118328 590288624 /nfs/dbraw/zinc/28/86/24/590288624.db2.gz XKHVBHCBPCRYSH-JTQLQIEISA-N 0 3 237.303 0.760 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000877118160 590288677 /nfs/dbraw/zinc/28/86/77/590288677.db2.gz OUXDNJUBIGGHNU-NGZCFLSTSA-N 0 3 230.283 0.229 20 0 BCADHN CC[C@@](C)(NC(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000877147077 590292414 /nfs/dbraw/zinc/29/24/14/590292414.db2.gz ZMDQVQDIWRGVAA-JOYOIKCWSA-N 0 3 239.319 0.785 20 0 BCADHN C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(N)cc1[O-] ZINC000877171161 590295867 /nfs/dbraw/zinc/29/58/67/590295867.db2.gz AINGAEHBYBEDKG-APPZFPTMSA-N 0 3 235.287 0.536 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877177524 590297099 /nfs/dbraw/zinc/29/70/99/590297099.db2.gz JNKGZWGJPCABSV-STXZSOOUSA-N 0 3 238.331 0.524 20 0 BCADHN NC1(C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000877178201 590297140 /nfs/dbraw/zinc/29/71/40/590297140.db2.gz PSCOLSVKQVPAPW-SQXHDICFSA-N 0 3 222.288 0.017 20 0 BCADHN NC[C@@H]1CC(C(=O)N[C@@]23C[C@@H]2CCCC3)=NO1 ZINC000877195790 590299651 /nfs/dbraw/zinc/29/96/51/590299651.db2.gz QYZVBJATSRGGRN-AUTRQRHGSA-N 0 3 237.303 0.539 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCc1ccnc(F)c1 ZINC000877201876 590300763 /nfs/dbraw/zinc/30/07/63/590300763.db2.gz SBZOZAOEBOJHTN-JTQLQIEISA-N 0 3 237.278 0.835 20 0 BCADHN C[C@@H](N)C(=O)N1CCOc2cc(N)ccc2C1 ZINC000877209014 590300949 /nfs/dbraw/zinc/30/09/49/590300949.db2.gz DNWWTIUGDBTYHW-MRVPVSSYSA-N 0 3 235.287 0.337 20 0 BCADHN CNCC(=O)N1CCOc2cc(N)ccc2C1 ZINC000877209404 590301194 /nfs/dbraw/zinc/30/11/94/590301194.db2.gz KVGHTHYJABZMPL-UHFFFAOYSA-N 0 3 235.287 0.209 20 0 BCADHN CC1(C)CCNCCN1C(=O)[C@H]1C[C@@H](O)C1 ZINC000877233267 590301692 /nfs/dbraw/zinc/30/16/92/590301692.db2.gz PVYZCSVDFXXYMN-AOOOYVTPSA-N 0 3 226.320 0.358 20 0 BCADHN NCC(=O)NC[C@@H]1CCC12CCOCC2 ZINC000877240194 590302389 /nfs/dbraw/zinc/30/23/89/590302389.db2.gz RMKREFWKMFCPGZ-VIFPVBQESA-N 0 3 212.293 0.268 20 0 BCADHN CC1(C)C[C@@H](O)CN(C(=O)C2(N)CCCC2)C1 ZINC000877251809 590303618 /nfs/dbraw/zinc/30/36/18/590303618.db2.gz UQJKIXDYNCBEIU-SNVBAGLBSA-N 0 3 240.347 0.877 20 0 BCADHN C[C@@H](N)C(=O)NCc1noc2cc(F)ccc12 ZINC000877263979 590304703 /nfs/dbraw/zinc/30/47/03/590304703.db2.gz HMEPIPJBXSOYMW-ZCFIWIBFSA-N 0 3 237.234 0.930 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877272911 590305598 /nfs/dbraw/zinc/30/55/98/590305598.db2.gz LMTSAIHGWQEEMN-SCZZXKLOSA-N 0 3 248.286 0.149 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877272913 590305603 /nfs/dbraw/zinc/30/56/03/590305603.db2.gz LMTSAIHGWQEEMN-WPRPVWTQSA-N 0 3 248.286 0.149 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCO[C@H](C(F)F)C1 ZINC000877299340 590308122 /nfs/dbraw/zinc/30/81/22/590308122.db2.gz LDFQLGZMWPTOFH-APPZFPTMSA-N 0 3 248.273 0.619 20 0 BCADHN N[C@H](C(=O)N1CCO[C@H](C(F)F)C1)C1CCC1 ZINC000877299004 590308629 /nfs/dbraw/zinc/30/86/29/590308629.db2.gz ILTIWPPZEQASPZ-IUCAKERBSA-N 0 3 248.273 0.606 20 0 BCADHN CC(=O)C1CCN(C(=O)[C@H](C)NC2CC2)CC1 ZINC000877302312 590309621 /nfs/dbraw/zinc/30/96/21/590309621.db2.gz ZNFWBCIFFRVSNF-VIFPVBQESA-N 0 3 238.331 0.955 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877308829 590310953 /nfs/dbraw/zinc/31/09/53/590310953.db2.gz CWJOGTRWDFEBSI-QCLAVDOMSA-N 0 3 212.293 0.407 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCCC[C@H]1C=CCC1 ZINC000877308376 590311502 /nfs/dbraw/zinc/31/15/02/590311502.db2.gz ULEIABQQFWUMGN-TUAOUCFPSA-N 0 3 238.331 0.965 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877310854 590312142 /nfs/dbraw/zinc/31/21/42/590312142.db2.gz SQEDIWUXKBMTAF-NAKRPEOUSA-N 0 3 226.320 0.798 20 0 BCADHN CC[C@H](N)C(=O)NCc1cc(N)cc(F)c1 ZINC000877325956 590317217 /nfs/dbraw/zinc/31/72/17/590317217.db2.gz OQJICJRHBDGZFU-JTQLQIEISA-N 0 3 225.267 0.761 20 0 BCADHN OC[C@@]1(NC[C@@H]2CC2(Cl)Cl)CCOC1 ZINC000877337291 590317806 /nfs/dbraw/zinc/31/78/06/590317806.db2.gz XMUOMGYBHNXKPO-YUMQZZPRSA-N 0 3 240.130 0.921 20 0 BCADHN CC[C@H](C)[C@H](CN[C@]1(CO)CCOC1)OC ZINC000877336150 590318262 /nfs/dbraw/zinc/31/82/62/590318262.db2.gz OYZBPKIYPJKHCH-SRVKXCTJSA-N 0 3 231.336 0.789 20 0 BCADHN CC1(C)CCc2onc(CNC(=O)CN)c2C1 ZINC000877346856 590318820 /nfs/dbraw/zinc/31/88/20/590318820.db2.gz IVHQLSFIWIVGOQ-UHFFFAOYSA-N 0 3 237.303 0.764 20 0 BCADHN O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cc(=O)[n-]cn1 ZINC000877386177 590320502 /nfs/dbraw/zinc/32/05/02/590320502.db2.gz PQVLWKVKAZSAPT-BXKDBHETSA-N 0 3 248.286 0.197 20 0 BCADHN Cc1nccnc1[C@@H](C)NC(=O)CNC1CC1 ZINC000877431946 590326462 /nfs/dbraw/zinc/32/64/62/590326462.db2.gz PVJTYQZQNCJMFC-SECBINFHSA-N 0 3 234.303 0.714 20 0 BCADHN COCCNCC(=O)N(C)C1(COC)CCC1 ZINC000877454415 590329991 /nfs/dbraw/zinc/32/99/91/590329991.db2.gz YKHOLMCCPVATAH-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN CN[C@@H](C)C(=O)N(C)C1(COC)CCC1 ZINC000877455948 590330476 /nfs/dbraw/zinc/33/04/76/590330476.db2.gz PVUAUKGTYQPDAY-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H]1C[C@H](O)CN1Cc1cnc2c(cnn2C)c1 ZINC000877467801 590333867 /nfs/dbraw/zinc/33/38/67/590333867.db2.gz PGLNCAFCAZODJD-CABZTGNLSA-N 0 3 246.314 0.923 20 0 BCADHN C[C@@H]1C[C@H](O)CN1Cc1cnc2c(cnn2C)c1 ZINC000877467803 590334235 /nfs/dbraw/zinc/33/42/35/590334235.db2.gz PGLNCAFCAZODJD-SKDRFNHKSA-N 0 3 246.314 0.923 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCC[C@@H]3CCO3)C[C@@H]21 ZINC000877546235 590353443 /nfs/dbraw/zinc/35/34/43/590353443.db2.gz IBLDQMRVMCMVST-WYUUTHIRSA-N 0 3 239.315 0.906 20 0 BCADHN CO[C@H](CN1CC2(C1)CCOC2)[C@H]1CCOC1 ZINC000877554047 590356223 /nfs/dbraw/zinc/35/62/23/590356223.db2.gz CLCDYYGJEAOURZ-NWDGAFQWSA-N 0 3 241.331 0.760 20 0 BCADHN CO[C@H](CN1CC2(C1)CCOC2)[C@@H]1CCOC1 ZINC000877554049 590357048 /nfs/dbraw/zinc/35/70/48/590357048.db2.gz CLCDYYGJEAOURZ-VXGBXAGGSA-N 0 3 241.331 0.760 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CS[C@@H](C)C1 ZINC000877606382 590370492 /nfs/dbraw/zinc/37/04/92/590370492.db2.gz ADIGBBJOWSOXHH-IUCAKERBSA-N 0 3 232.349 0.880 20 0 BCADHN CCON(C)C(=O)CN[C@@H](C)[C@@H]1CCCO1 ZINC000877612967 590372704 /nfs/dbraw/zinc/37/27/04/590372704.db2.gz ZRALKUQSGYNMCC-UWVGGRQHSA-N 0 3 230.308 0.553 20 0 BCADHN CCON(C)C(=O)CN[C@H](C)[C@H](C)OC ZINC000877611834 590372718 /nfs/dbraw/zinc/37/27/18/590372718.db2.gz BUJMEVAOVLWUEO-BDAKNGLRSA-N 0 3 218.297 0.409 20 0 BCADHN CCON(C)C(=O)CN[C@H](C)[C@@H](C)OC ZINC000877611837 590373085 /nfs/dbraw/zinc/37/30/85/590373085.db2.gz BUJMEVAOVLWUEO-RKDXNWHRSA-N 0 3 218.297 0.409 20 0 BCADHN CC[C@@](C)(CN1CCCN(C=O)CC1)OC ZINC000877642878 590382694 /nfs/dbraw/zinc/38/26/94/590382694.db2.gz WCBHZXVDJHSULF-LBPRGKRZSA-N 0 3 228.336 0.966 20 0 BCADHN C/C=C/CNCc1cccc(S(N)(=O)=O)c1 ZINC000877658331 590386210 /nfs/dbraw/zinc/38/62/10/590386210.db2.gz XJXOVVJHEBGFJY-NSCUHMNNSA-N 0 3 240.328 1.000 20 0 BCADHN CON(C)C(=O)[C@@H](C)NCCC[C@@H]1CCO1 ZINC000877661122 590386967 /nfs/dbraw/zinc/38/69/67/590386967.db2.gz VYOOXIFEHUFTKV-NXEZZACHSA-N 0 3 230.308 0.553 20 0 BCADHN CO[C@@H](CN[C@@H](C)C(=O)N(C)OC)C1CC1 ZINC000877661295 590387224 /nfs/dbraw/zinc/38/72/24/590387224.db2.gz YPWKXDRHTADQSG-WPRPVWTQSA-N 0 3 230.308 0.409 20 0 BCADHN CN1C(=O)[C@H]2CN(Cc3ccncc3)C[C@H]2C1=O ZINC000877720598 590400950 /nfs/dbraw/zinc/40/09/50/590400950.db2.gz PEAWOZHNCGAYSK-PHIMTYICSA-N 0 3 245.282 0.128 20 0 BCADHN COC(=O)[C@]12C[C@H]1C[C@H](NCc1ccnn1C)C2 ZINC000877722881 590401737 /nfs/dbraw/zinc/40/17/37/590401737.db2.gz OGNYAVXYERUWQB-NRUUGDAUSA-N 0 3 249.314 0.851 20 0 BCADHN COC(=O)C1CC(NCc2ccc(=O)[nH]c2)C1 ZINC000877722405 590401746 /nfs/dbraw/zinc/40/17/46/590401746.db2.gz SSRYYFGNNCBZIR-UHFFFAOYSA-N 0 3 236.271 0.828 20 0 BCADHN COC(=O)C1CC(NCc2[nH]ncc2C)C1 ZINC000877722128 590401814 /nfs/dbraw/zinc/40/18/14/590401814.db2.gz JYCCANLNMCGYJZ-UHFFFAOYSA-N 0 3 223.276 0.759 20 0 BCADHN CC[C@@H](C)[C@H](CN1CC[C@@H](O)[C@@H](O)C1)OC ZINC000877750674 590414666 /nfs/dbraw/zinc/41/46/66/590414666.db2.gz UVGURKUZEKSPMD-WYUUTHIRSA-N 0 3 231.336 0.475 20 0 BCADHN Cc1ccncc1CN1C[C@H](CO)[C@H](CO)C1 ZINC000877765219 590420215 /nfs/dbraw/zinc/42/02/15/590420215.db2.gz WGRNEUDXWJUBQV-BETUJISGSA-N 0 3 236.315 0.423 20 0 BCADHN Cc1ccc(CN2C[C@H](CO)[C@H](CO)C2)nc1 ZINC000877764659 590420454 /nfs/dbraw/zinc/42/04/54/590420454.db2.gz HICLZTMFWJUOTN-TXEJJXNPSA-N 0 3 236.315 0.423 20 0 BCADHN CO[C@H](C)CN1CCC(CO)(CO)CC1 ZINC000877797791 590424582 /nfs/dbraw/zinc/42/45/82/590424582.db2.gz BKXDSHZLGNTCDJ-SNVBAGLBSA-N 0 3 217.309 0.088 20 0 BCADHN CC(C)C[C@@H](C)CN(C)CCS(N)(=O)=O ZINC000877826179 590428283 /nfs/dbraw/zinc/42/82/83/590428283.db2.gz SFZIOHXCXQYCPL-SNVBAGLBSA-N 0 3 236.381 0.889 20 0 BCADHN C[C@@H](CN1C(=O)[C@@H]2CCCCN2C1=O)N(C)C ZINC000877874577 590434762 /nfs/dbraw/zinc/43/47/62/590434762.db2.gz NLCSFYOZGZRJLM-UWVGGRQHSA-N 0 3 239.319 0.753 20 0 BCADHN CN(CCn1cnnn1)Cc1ccccc1 ZINC000877933989 590450136 /nfs/dbraw/zinc/45/01/36/590450136.db2.gz YFRWUYHGYBPUPN-UHFFFAOYSA-N 0 3 217.276 0.805 20 0 BCADHN C[C@H]1CCCN(CCc2nnnn2C)C1 ZINC000877934388 590450852 /nfs/dbraw/zinc/45/08/52/590450852.db2.gz HKEIDNBXSNZZKO-VIFPVBQESA-N 0 3 209.297 0.485 20 0 BCADHN O[C@H](CN1CCC[C@H](O)C1)CC1(O)CCCC1 ZINC000877934438 590451151 /nfs/dbraw/zinc/45/11/51/590451151.db2.gz BVNICHLHDMPMRV-RYUDHWBXSA-N 0 3 243.347 0.499 20 0 BCADHN COc1ccc(CN(C)CCn2cnnn2)cc1 ZINC000877939382 590453250 /nfs/dbraw/zinc/45/32/50/590453250.db2.gz WPGUSXSFWCPIPF-UHFFFAOYSA-N 0 3 247.302 0.814 20 0 BCADHN CN(CCO)CCc1ccc(C(N)=O)cc1 ZINC000877949627 590454815 /nfs/dbraw/zinc/45/48/15/590454815.db2.gz LZBVPNBTFGNHJP-UHFFFAOYSA-N 0 3 222.288 0.252 20 0 BCADHN CN(C[C@@H](O)CC(C)(C)O)C[C@@H]1CCCO1 ZINC000877972776 590462927 /nfs/dbraw/zinc/46/29/27/590462927.db2.gz NXUJZXGHQFEBNY-QWRGUYRKSA-N 0 3 231.336 0.619 20 0 BCADHN CCN(CCOC)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000877993496 590467834 /nfs/dbraw/zinc/46/78/34/590467834.db2.gz OIUCZBRMLZPMQJ-OLZOCXBDSA-N 0 3 245.363 0.867 20 0 BCADHN CCN1CCC(NC(=O)COC2CC2)CC1 ZINC000878045499 590480417 /nfs/dbraw/zinc/48/04/17/590480417.db2.gz VXDGQNWKZHLNOB-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCN(C[C@@H](C)O)CC2)C1 ZINC000878046974 590481678 /nfs/dbraw/zinc/48/16/78/590481678.db2.gz AFZNDZITXYRRIV-UPJWGTAASA-N 0 3 242.363 0.410 20 0 BCADHN CC(C)[C@H](O)CCN1CCN(C[C@@H](C)O)CC1 ZINC000878049644 590482070 /nfs/dbraw/zinc/48/20/70/590482070.db2.gz ZLIHVHLIGXCYEI-CHWSQXEVSA-N 0 3 244.379 0.392 20 0 BCADHN CC(C)[C@@H](O)CCN1CCN(C[C@@H](C)O)CC1 ZINC000878049646 590482160 /nfs/dbraw/zinc/48/21/60/590482160.db2.gz ZLIHVHLIGXCYEI-OLZOCXBDSA-N 0 3 244.379 0.392 20 0 BCADHN CC(C)[C@@H](O)CCN1CCN(C[C@H](C)O)CC1 ZINC000878049650 590482648 /nfs/dbraw/zinc/48/26/48/590482648.db2.gz ZLIHVHLIGXCYEI-STQMWFEESA-N 0 3 244.379 0.392 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCNC(=O)CC2)C1 ZINC000878050304 590482933 /nfs/dbraw/zinc/48/29/33/590482933.db2.gz UXYPNKDJFREKSH-AOOOYVTPSA-N 0 3 212.293 0.233 20 0 BCADHN OC[C@@H]1CCCN1C[C@H](O)CC1(O)CCCC1 ZINC000878054317 590483777 /nfs/dbraw/zinc/48/37/77/590483777.db2.gz BISGAPJAESKGDJ-NWDGAFQWSA-N 0 3 243.347 0.499 20 0 BCADHN CCOCCN(CC)CCc1nnnn1C ZINC000878085418 590489618 /nfs/dbraw/zinc/48/96/18/590489618.db2.gz LPYLNIVHMQBWFT-UHFFFAOYSA-N 0 3 227.312 0.111 20 0 BCADHN COC[C@@H]1CCCN(CCc2nnnn2C)C1 ZINC000878102772 590493900 /nfs/dbraw/zinc/49/39/00/590493900.db2.gz INRXPUVJJCBFIJ-SNVBAGLBSA-N 0 3 239.323 0.111 20 0 BCADHN CCCCCN(CCO)CCn1cnnn1 ZINC000878099384 590494208 /nfs/dbraw/zinc/49/42/08/590494208.db2.gz SBSJNOHKSYIVHE-UHFFFAOYSA-N 0 3 227.312 0.158 20 0 BCADHN C[C@@H](O)CN(C)C[C@H](O)CC1(O)CCCC1 ZINC000878130376 590502499 /nfs/dbraw/zinc/50/24/99/590502499.db2.gz WLSHWXUIKCWDFJ-GHMZBOCLSA-N 0 3 231.336 0.355 20 0 BCADHN CC(C)[C@@H]1CN(CCn2cnnn2)CCS1 ZINC000878150610 590507194 /nfs/dbraw/zinc/50/71/94/590507194.db2.gz FQPDXIOMHLMUQM-JTQLQIEISA-N 0 3 241.364 0.747 20 0 BCADHN O[C@@H]1CN(CC[C@@H]2CCCC2(F)F)C[C@@H]1O ZINC000878160119 590510588 /nfs/dbraw/zinc/51/05/88/590510588.db2.gz GHLNPMMFKHQOEU-LPEHRKFASA-N 0 3 235.274 0.849 20 0 BCADHN C=C/C=C\CCN1CCN2C(=O)NC[C@H]2C1 ZINC000878173870 590515069 /nfs/dbraw/zinc/51/50/69/590515069.db2.gz DAUZEIOMIUVZKU-BYCRGOAPSA-N 0 3 221.304 0.828 20 0 BCADHN CN(C[C@@H](O)CC(C)(C)O)C[C@@H](O)C1CC1 ZINC000878175455 590516482 /nfs/dbraw/zinc/51/64/82/590516482.db2.gz SAHZGPMWFKHPOI-WDEREUQCSA-N 0 3 231.336 0.211 20 0 BCADHN COC(C)(C)CN(C)CCn1cnnn1 ZINC000878189076 590520565 /nfs/dbraw/zinc/52/05/65/590520565.db2.gz QZOTUEASJQVKGZ-UHFFFAOYSA-N 0 3 213.285 0.030 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCN(C(C)=O)C[C@@H]2C)C1 ZINC000878194634 590521389 /nfs/dbraw/zinc/52/13/89/590521389.db2.gz HOPHSLZFBGFVSM-WCFLWFBJSA-N 0 3 240.347 0.964 20 0 BCADHN CN(CCOC(C)(C)C)CCc1nnnn1C ZINC000878199975 590522822 /nfs/dbraw/zinc/52/28/22/590522822.db2.gz JPUOYJSTKOWLQC-UHFFFAOYSA-N 0 3 241.339 0.500 20 0 BCADHN CSC[C@@H]1CCCN1CCc1nnnn1C ZINC000878200607 590524351 /nfs/dbraw/zinc/52/43/51/590524351.db2.gz SJOOKVCWZIUCBC-VIFPVBQESA-N 0 3 241.364 0.580 20 0 BCADHN Cn1nnnc1CCN1CCC[C@H]1c1ccc[nH]1 ZINC000878214020 590525221 /nfs/dbraw/zinc/52/52/21/590525221.db2.gz QEAUDGYDGJEHJN-NSHDSACASA-N 0 3 246.318 0.918 20 0 BCADHN C[C@H]1OCC[C@@H]1CN1CCC2(C1)OCCO2 ZINC000878236719 590526850 /nfs/dbraw/zinc/52/68/50/590526850.db2.gz MRQPFYFUYQUJFR-GHMZBOCLSA-N 0 3 227.304 0.860 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCC2(C1)OCCO2 ZINC000878236722 590527108 /nfs/dbraw/zinc/52/71/08/590527108.db2.gz MRQPFYFUYQUJFR-WDEREUQCSA-N 0 3 227.304 0.860 20 0 BCADHN c1c[nH]c([C@H]2CCCN(CCn3cnnn3)C2)n1 ZINC000878252287 590529106 /nfs/dbraw/zinc/52/91/06/590529106.db2.gz HNFOYVBJVCWKTJ-JTQLQIEISA-N 0 3 247.306 0.276 20 0 BCADHN Cc1nccn1CCCN(C)CCn1cnnn1 ZINC000878287781 590533940 /nfs/dbraw/zinc/53/39/40/590533940.db2.gz IRTZYBNQUKZXJR-UHFFFAOYSA-N 0 3 249.322 0.200 20 0 BCADHN CN(CCc1nccs1)CCn1cnnn1 ZINC000878296186 590536123 /nfs/dbraw/zinc/53/61/23/590536123.db2.gz CUBCHKYKVJXAFD-UHFFFAOYSA-N 0 3 238.320 0.304 20 0 BCADHN C=C/C=C/CCN1CC[C@H](S(N)(=O)=O)C1 ZINC000878301053 590537002 /nfs/dbraw/zinc/53/70/02/590537002.db2.gz RITHMSYSAHBGBR-FSIBCCDJSA-N 0 3 230.333 0.482 20 0 BCADHN C[C@H]1COCCN(C[C@@H]2CCc3ncnn32)C1 ZINC000878298556 590537391 /nfs/dbraw/zinc/53/73/91/590537391.db2.gz JBRNIJMAUFWHLK-MNOVXSKESA-N 0 3 236.319 0.734 20 0 BCADHN C=C/C=C/CCN1CC[C@@H](S(N)(=O)=O)C1 ZINC000878301054 590537400 /nfs/dbraw/zinc/53/74/00/590537400.db2.gz RITHMSYSAHBGBR-HMDXOVGESA-N 0 3 230.333 0.482 20 0 BCADHN CC(C)(O)C[C@H](O)CN1CCCSCC1 ZINC000878312878 590540571 /nfs/dbraw/zinc/54/05/71/590540571.db2.gz BZFYGEDIWBCMEL-JTQLQIEISA-N 0 3 233.377 0.947 20 0 BCADHN NC(=O)N[C@@H]1CCN(CCCC2CC2)C1 ZINC000878325772 590545832 /nfs/dbraw/zinc/54/58/32/590545832.db2.gz RBVIOHBDDRFPBU-SNVBAGLBSA-N 0 3 211.309 0.919 20 0 BCADHN CC(C)[C@H](O)CCN1CC[C@@H](NC(N)=O)C1 ZINC000878324951 590545919 /nfs/dbraw/zinc/54/59/19/590545919.db2.gz NXHDSFKRXPEUST-NXEZZACHSA-N 0 3 229.324 0.136 20 0 BCADHN NS(=O)(=O)[C@H]1CCCN(CCCC2CC2)C1 ZINC000878342210 590551516 /nfs/dbraw/zinc/55/15/16/590551516.db2.gz SIASWFPMFJWGDW-NSHDSACASA-N 0 3 246.376 0.930 20 0 BCADHN NS(=O)(=O)[C@@H]1CCCN(CCCC2CC2)C1 ZINC000878342209 590552059 /nfs/dbraw/zinc/55/20/59/590552059.db2.gz SIASWFPMFJWGDW-LLVKDONJSA-N 0 3 246.376 0.930 20 0 BCADHN CC[C@H](CSC)N(C)CCc1nnnn1C ZINC000878343888 590552869 /nfs/dbraw/zinc/55/28/69/590552869.db2.gz MHOVTJDFWZAWPB-SECBINFHSA-N 0 3 243.380 0.826 20 0 BCADHN CC[C@H](CSC)N(C)CCn1cnnn1 ZINC000878343502 590552897 /nfs/dbraw/zinc/55/28/97/590552897.db2.gz DBCQNOGOBBDROG-SECBINFHSA-N 0 3 229.353 0.747 20 0 BCADHN CN1CCC[C@@H](NC(=O)COC2CC2)C1 ZINC000878373344 590555900 /nfs/dbraw/zinc/55/59/00/590555900.db2.gz JBNLSBHOUCVSHE-SECBINFHSA-N 0 3 212.293 0.376 20 0 BCADHN NC(=O)C1(NCC[C@H](O)c2ccccc2)CC1 ZINC000878384723 590557363 /nfs/dbraw/zinc/55/73/63/590557363.db2.gz GSOPZUARCBIZHJ-NSHDSACASA-N 0 3 234.299 0.718 20 0 BCADHN CN(CCn1cnnn1)C[C@@H]1CCCC[C@H]1O ZINC000878385090 590557754 /nfs/dbraw/zinc/55/77/54/590557754.db2.gz LBHPEVNWMBLLKS-WDEREUQCSA-N 0 3 239.323 0.156 20 0 BCADHN CC(C)[C@@H](O)CCN(C)[C@@]1(CO)CCOC1 ZINC000878395370 590559329 /nfs/dbraw/zinc/55/93/29/590559329.db2.gz BPHSDBJPWUONLS-NWDGAFQWSA-N 0 3 231.336 0.477 20 0 BCADHN c1nnnn1CCN[C@@H](c1cccnc1)C1CC1 ZINC000878401936 590560469 /nfs/dbraw/zinc/56/04/69/590560469.db2.gz AWHKNKDUQXFYGD-GFCCVEGCSA-N 0 3 244.302 0.809 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)COC1CC1 ZINC000878428462 590565451 /nfs/dbraw/zinc/56/54/51/590565451.db2.gz NUVOPLGBQBUBRC-SECBINFHSA-N 0 3 212.293 0.376 20 0 BCADHN CN(C[C@@H](O)CC1(O)CCCC1)C1CC(O)C1 ZINC000878430808 590565962 /nfs/dbraw/zinc/56/59/62/590565962.db2.gz TVMWNLBFOUCMNW-MCIGGMRASA-N 0 3 243.347 0.498 20 0 BCADHN CC1(C)CCC[C@@H](CN2C[C@H](O)C[C@H]2CO)O1 ZINC000878441954 590568638 /nfs/dbraw/zinc/56/86/38/590568638.db2.gz JMMZVLKCVWGRIJ-TUAOUCFPSA-N 0 3 243.347 0.762 20 0 BCADHN COCC1=CCN(CCc2nnnn2C)CC1 ZINC000878454938 590570465 /nfs/dbraw/zinc/57/04/65/590570465.db2.gz LMTAINXCISMETB-UHFFFAOYSA-N 0 3 237.307 0.031 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCN(CCO)[C@@H](C)C2)C1 ZINC000878464735 590571398 /nfs/dbraw/zinc/57/13/98/590571398.db2.gz GNYSLKNZELNVPS-RWMBFGLXSA-N 0 3 242.363 0.410 20 0 BCADHN CO[C@H]1CN(CCc2nnnn2C)CC[C@@H]1C ZINC000878484000 590577593 /nfs/dbraw/zinc/57/75/93/590577593.db2.gz SYWRPNKGQRHTNU-UWVGGRQHSA-N 0 3 239.323 0.109 20 0 BCADHN C[C@@H]1CSCCN(CCn2cnnn2)C1 ZINC000878508441 590582742 /nfs/dbraw/zinc/58/27/42/590582742.db2.gz UQORFVYODRMSNI-VIFPVBQESA-N 0 3 227.337 0.358 20 0 BCADHN C[C@@H]1[C@H](C(F)(F)F)CCN1CCn1cnnn1 ZINC000878535436 590588906 /nfs/dbraw/zinc/58/89/06/590588906.db2.gz ZNJWCWDDYFFXAB-HTQZYQBOSA-N 0 3 249.240 0.946 20 0 BCADHN CC1=C(C)CN(CCc2nnnn2C)CC1 ZINC000878546177 590589898 /nfs/dbraw/zinc/58/98/98/590589898.db2.gz GUDKWHWWNZIKCZ-UHFFFAOYSA-N 0 3 221.308 0.795 20 0 BCADHN CO[C@H]1CCN(CCn2cnnn2)[C@H](C)C1 ZINC000878555046 590591210 /nfs/dbraw/zinc/59/12/10/590591210.db2.gz PAYYVCHOTJWFAG-ZJUUUORDSA-N 0 3 225.296 0.172 20 0 BCADHN CSCCCN(C)CCc1nnnn1C ZINC000878553291 590591279 /nfs/dbraw/zinc/59/12/79/590591279.db2.gz ORBLMEHOGBKSND-UHFFFAOYSA-N 0 3 229.353 0.438 20 0 BCADHN CCN(CC[C@@H](O)C(C)C)[C@H]1CCNC1=O ZINC000878557023 590592044 /nfs/dbraw/zinc/59/20/44/590592044.db2.gz ZDSSTFIMMPXLDM-WDEREUQCSA-N 0 3 228.336 0.604 20 0 BCADHN CN(C[C@H](O)CC1(O)CCCC1)C1(CO)CC1 ZINC000878609482 590595635 /nfs/dbraw/zinc/59/56/35/590595635.db2.gz BRZHXLPYSZUKFG-LLVKDONJSA-N 0 3 243.347 0.499 20 0 BCADHN CO[C@H](C)CN(C)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000878613458 590596250 /nfs/dbraw/zinc/59/62/50/590596250.db2.gz OCDYFZPRJLKVDR-WXHSDQCUSA-N 0 3 245.363 0.865 20 0 BCADHN O=C(COC1CC1)N1CC[C@H](N2CCCC2)C1 ZINC000878653631 590602235 /nfs/dbraw/zinc/60/22/35/590602235.db2.gz JOXPUMSADZLKBH-NSHDSACASA-N 0 3 238.331 0.862 20 0 BCADHN CC(C)[C@@H]1CN(CCn2cnnn2)CCCO1 ZINC000878656933 590603875 /nfs/dbraw/zinc/60/38/75/590603875.db2.gz BRZLAUBKJFRFPV-NSHDSACASA-N 0 3 239.323 0.420 20 0 BCADHN CC(C)[C@@H](O)CCN(C)C(C)(C)C(N)=O ZINC000878659126 590604735 /nfs/dbraw/zinc/60/47/35/590604735.db2.gz LLYYKBCTGLPEIX-VIFPVBQESA-N 0 3 216.325 0.589 20 0 BCADHN CS[C@H]1CCN(CCc2nnnn2C)C1 ZINC000878665090 590605833 /nfs/dbraw/zinc/60/58/33/590605833.db2.gz DBPBHZPOGPDBDX-QMMMGPOBSA-N 0 3 227.337 0.190 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1C[C@H](O)CC(C)(C)O ZINC000878670789 590607346 /nfs/dbraw/zinc/60/73/46/590607346.db2.gz QRXCJZWNASOAIH-GMTAPVOTSA-N 0 3 231.336 0.354 20 0 BCADHN O=C1CO[C@@H]2CCN(CCCC3CC3)C[C@H]2N1 ZINC000878696263 590610859 /nfs/dbraw/zinc/61/08/59/590610859.db2.gz XIHYNTQAIFURHK-VXGBXAGGSA-N 0 3 238.331 0.766 20 0 BCADHN OC1([C@@H]2CCCCN2CCn2cnnn2)CC1 ZINC000878699382 590612140 /nfs/dbraw/zinc/61/21/40/590612140.db2.gz QTSKKCVHRBWIGU-JTQLQIEISA-N 0 3 237.307 0.053 20 0 BCADHN CN(CCn1cnnn1)C1CC(C)(C)C1 ZINC000878703671 590612531 /nfs/dbraw/zinc/61/25/31/590612531.db2.gz JAZUWQANVMFKKH-UHFFFAOYSA-N 0 3 209.297 0.794 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@H]1CC2(CCC2)CO1 ZINC000878707012 590613119 /nfs/dbraw/zinc/61/31/19/590613119.db2.gz ONMJFWZFJQECES-GRYCIOLGSA-N 0 3 241.331 0.949 20 0 BCADHN Cc1nc([C@H]2CCN(Cc3c[nH]cn3)C2)n[nH]1 ZINC000878711453 590613583 /nfs/dbraw/zinc/61/35/83/590613583.db2.gz OWFBJIGIJYBCCR-VIFPVBQESA-N 0 3 232.291 0.826 20 0 BCADHN Cc1n[nH]c([C@H]2CCN(Cc3c[nH]cn3)C2)n1 ZINC000878711453 590613585 /nfs/dbraw/zinc/61/35/85/590613585.db2.gz OWFBJIGIJYBCCR-VIFPVBQESA-N 0 3 232.291 0.826 20 0 BCADHN C[C@@H]1C[C@@H](CO)CN(Cc2ccnn2C)C1 ZINC000878720488 590616286 /nfs/dbraw/zinc/61/62/86/590616286.db2.gz PHBKMMYMKBCVBG-GHMZBOCLSA-N 0 3 223.320 0.870 20 0 BCADHN CC1(C(N)=O)CN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000878757565 590618448 /nfs/dbraw/zinc/61/84/48/590618448.db2.gz PBPNAVLIOPPXNT-DCAQKATOSA-N 0 3 238.331 0.751 20 0 BCADHN CC(C)[C@@H](O)CCN1CC(C)(C(N)=O)C1 ZINC000878757281 590618502 /nfs/dbraw/zinc/61/85/02/590618502.db2.gz GYJVYOIEHAYFOW-VIFPVBQESA-N 0 3 214.309 0.201 20 0 BCADHN CCN(CCn1cnnn1)[C@H]1CCCOC1 ZINC000878805323 590625255 /nfs/dbraw/zinc/62/52/55/590625255.db2.gz JYDWCYCIHARTLF-JTQLQIEISA-N 0 3 225.296 0.174 20 0 BCADHN CO[C@H]1C[C@@H](CN2C[C@@H]3C[C@H]2C[S@]3=O)C1 ZINC000878811929 590626640 /nfs/dbraw/zinc/62/66/40/590626640.db2.gz NZHHUDUFTADQJX-KVYUDQOQSA-N 0 3 229.345 0.617 20 0 BCADHN CCN1[C@H](C)CN(CC2OCCO2)C[C@@H]1C ZINC000878837120 590629265 /nfs/dbraw/zinc/62/92/65/590629265.db2.gz RTGCWRGKBYMFEF-PHIMTYICSA-N 0 3 228.336 0.774 20 0 BCADHN CN1CCN([C@@H]2CCOC2=O)C[C@H]1C(C)(C)C ZINC000878842374 590631982 /nfs/dbraw/zinc/63/19/82/590631982.db2.gz PSMQRWIWNFOTJR-MNOVXSKESA-N 0 3 240.347 0.964 20 0 BCADHN CN(C[C@H]1CCCN(C)C1)C(=O)COC1CC1 ZINC000878859705 590634075 /nfs/dbraw/zinc/63/40/75/590634075.db2.gz OFNNNQVTHKUJNQ-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN Cc1nc(C)c(CN2[C@@H](CO)CC[C@@H]2CO)o1 ZINC000878882088 590638160 /nfs/dbraw/zinc/63/81/60/590638160.db2.gz ZELJTWNDMQRIOS-GHMZBOCLSA-N 0 3 240.303 0.609 20 0 BCADHN CN(CC1=CCCOC1)C[C@H](O)CC(C)(C)O ZINC000878937279 590654399 /nfs/dbraw/zinc/65/43/99/590654399.db2.gz REJMFYCYHBZQAB-GFCCVEGCSA-N 0 3 243.347 0.787 20 0 BCADHN CC(C)[C@H](O)CCN(C)C[C@@H]1COCCO1 ZINC000878935394 590655171 /nfs/dbraw/zinc/65/51/71/590655171.db2.gz JCDVNHHVFPKOGM-VXGBXAGGSA-N 0 3 231.336 0.741 20 0 BCADHN CC(C)[C@H](O)CCN(C)C[C@H]1COCCO1 ZINC000878935391 590655911 /nfs/dbraw/zinc/65/59/11/590655911.db2.gz JCDVNHHVFPKOGM-NWDGAFQWSA-N 0 3 231.336 0.741 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)COC2CC2)CCN1C ZINC000878961386 590661567 /nfs/dbraw/zinc/66/15/67/590661567.db2.gz WZFYSPDIXKVOCD-UWVGGRQHSA-N 0 3 226.320 0.764 20 0 BCADHN CC(C)[C@@H](O)CCN1CCC(CO)(CO)C1 ZINC000878969046 590663755 /nfs/dbraw/zinc/66/37/55/590663755.db2.gz IVIJVAMHUSKCOE-NSHDSACASA-N 0 3 231.336 0.070 20 0 BCADHN C[C@@]1(CO)C[C@H](O)CN1CCOC(F)F ZINC000878980472 590665905 /nfs/dbraw/zinc/66/59/05/590665905.db2.gz APFFAMRAWVPYIL-CBAPKCEASA-N 0 3 225.235 0.043 20 0 BCADHN NC(=O)[C@@H]1C[C@@H](O)CN1CCCC1CC1 ZINC000879013990 590677925 /nfs/dbraw/zinc/67/79/25/590677925.db2.gz UKOMHUOGQQGFQX-ZJUUUORDSA-N 0 3 212.293 0.097 20 0 BCADHN Cn1nnnc1CCN1CCCC(F)(F)CC1 ZINC000879036548 590682745 /nfs/dbraw/zinc/68/27/45/590682745.db2.gz ZBFJNPIWDFBFGV-UHFFFAOYSA-N 0 3 245.277 0.874 20 0 BCADHN C[C@H](CO)CN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879041062 590683582 /nfs/dbraw/zinc/68/35/82/590683582.db2.gz AVHJDJCOFAQEQY-WCBMZHEXSA-N 0 3 232.299 0.150 20 0 BCADHN CC[C@@H](CN1CCC([C@@H](F)C(N)=O)CC1)OC ZINC000879045493 590685566 /nfs/dbraw/zinc/68/55/66/590685566.db2.gz YNBQSYFFQMJNIY-WDEREUQCSA-N 0 3 246.326 0.947 20 0 BCADHN CCOCCN1CCC([C@H](F)C(N)=O)CC1 ZINC000879043115 590685602 /nfs/dbraw/zinc/68/56/02/590685602.db2.gz FCIXPCYURUVCAB-JTQLQIEISA-N 0 3 232.299 0.558 20 0 BCADHN CCC(O)(CC)CN(C)CCc1nnnn1C ZINC000879063914 590690316 /nfs/dbraw/zinc/69/03/16/590690316.db2.gz VQALPCPCYPCYKO-UHFFFAOYSA-N 0 3 241.339 0.236 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)COC1CC1 ZINC000879143249 590702631 /nfs/dbraw/zinc/70/26/31/590702631.db2.gz DUMSTPMORLCDCS-JOYOIKCWSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H]1CCN(CC[S@@](C)=O)[C@H](CO)C1 ZINC000879148809 590703658 /nfs/dbraw/zinc/70/36/58/590703658.db2.gz BNIZBAKGOWJLJX-ISTVAULSSA-N 0 3 219.350 0.458 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1CCO ZINC000879220893 590717562 /nfs/dbraw/zinc/71/75/62/590717562.db2.gz CERRYRVVOTWAPI-NXEZZACHSA-N 0 3 244.335 0.966 20 0 BCADHN C[C@@H](O)CN1CCc2c(CC(N)=O)cccc2C1 ZINC000879232239 590718180 /nfs/dbraw/zinc/71/81/80/590718180.db2.gz ADVCBLVUOJVFLW-SNVBAGLBSA-N 0 3 248.326 0.453 20 0 BCADHN COC(CN1C[C@H](OC)C[C@@]1(C)CO)OC ZINC000879261266 590723952 /nfs/dbraw/zinc/72/39/52/590723952.db2.gz HQUFNRBJTWMACX-KOLCDFICSA-N 0 3 233.308 0.077 20 0 BCADHN Nc1ccncc1C(=O)NCCN1CCCC1 ZINC000127633420 590725870 /nfs/dbraw/zinc/72/58/70/590725870.db2.gz JGUKRXRLMMUATO-UHFFFAOYSA-N 0 3 234.303 0.489 20 0 BCADHN CO[C@H]1CC[C@@H](C)N(CC2OCCO2)C1 ZINC000879322430 590742330 /nfs/dbraw/zinc/74/23/30/590742330.db2.gz SUCAAMVHIYPPAI-ZJUUUORDSA-N 0 3 215.293 0.859 20 0 BCADHN CO[C@@H]1CC[C@H](C)N(CCN2CCOCC2)C1 ZINC000879321134 590742844 /nfs/dbraw/zinc/74/28/44/590742844.db2.gz NUZBMNYGWXZRDB-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN CO[C@H]1CC[C@H](C)N(CC2OCCO2)C1 ZINC000879322428 590743309 /nfs/dbraw/zinc/74/33/09/590743309.db2.gz SUCAAMVHIYPPAI-UWVGGRQHSA-N 0 3 215.293 0.859 20 0 BCADHN CO[C@@H]1CC[C@H](C)N(C[C@@H]2COCCO2)C1 ZINC000879325108 590746637 /nfs/dbraw/zinc/74/66/37/590746637.db2.gz LIRIATMLBFIMHD-QJPTWQEYSA-N 0 3 229.320 0.901 20 0 BCADHN CO[C@H]1CC[C@H](C)N(C[C@@H]2CCC(=O)N2)C1 ZINC000879325510 590746790 /nfs/dbraw/zinc/74/67/90/590746790.db2.gz NUNZSEPXQXEGLG-DCAQKATOSA-N 0 3 226.320 0.764 20 0 BCADHN CO[C@@H]1CC[C@H](C)N(CCc2cn(C)nn2)C1 ZINC000879327427 590748006 /nfs/dbraw/zinc/74/80/06/590748006.db2.gz XYHNLGJSNAGNTF-CMPLNLGQSA-N 0 3 238.335 0.857 20 0 BCADHN CNC(=O)NC[C@H]1CCCCN1CC[C@H](C)O ZINC000879333913 590749316 /nfs/dbraw/zinc/74/93/16/590749316.db2.gz GBKPJSVWXFVTED-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN CNC(=O)NC[C@@H]1CCCCN1CC[C@@H](C)O ZINC000879333910 590749344 /nfs/dbraw/zinc/74/93/44/590749344.db2.gz GBKPJSVWXFVTED-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN CNC(=O)NC[C@H]1CCCCN1CCCCO ZINC000879335897 590750258 /nfs/dbraw/zinc/75/02/58/590750258.db2.gz XXRQQLKVDLLYDB-LLVKDONJSA-N 0 3 243.351 0.542 20 0 BCADHN CNC(=O)NC[C@H]1CCCCN1C[C@@H](C)O ZINC000879334725 590750268 /nfs/dbraw/zinc/75/02/68/590750268.db2.gz MPHPLARJTUTVSW-NXEZZACHSA-N 0 3 229.324 0.151 20 0 BCADHN CNC(=O)CNC(C)(C)[C@@H]1CCCCO1 ZINC000879407201 590759460 /nfs/dbraw/zinc/75/94/60/590759460.db2.gz WMEQLYQCZXFHBX-VIFPVBQESA-N 0 3 214.309 0.670 20 0 BCADHN Cc1coc(C(=O)NCCOCCN(C)C)c1 ZINC000879395482 590760537 /nfs/dbraw/zinc/76/05/37/590760537.db2.gz LVEAZJOULRDFIU-UHFFFAOYSA-N 0 3 240.303 0.896 20 0 BCADHN COC(=O)C[C@](C)(NCC1OCCO1)C1CC1 ZINC000879442095 590771872 /nfs/dbraw/zinc/77/18/72/590771872.db2.gz NGYYPIPUTGKSFK-LBPRGKRZSA-N 0 3 243.303 0.681 20 0 BCADHN CO[C@@H](C)CN(CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879486733 590778777 /nfs/dbraw/zinc/77/87/77/590778777.db2.gz PUOVSJBELXASTQ-JOYOIKCWSA-N 0 3 240.347 0.997 20 0 BCADHN CC[C@@H](O)CN(CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879485970 590779450 /nfs/dbraw/zinc/77/94/50/590779450.db2.gz IIGYCMGSKRDOMR-NEPJUHHUSA-N 0 3 240.347 0.733 20 0 BCADHN CC[C@@H](O)CN(CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879485973 590779637 /nfs/dbraw/zinc/77/96/37/590779637.db2.gz IIGYCMGSKRDOMR-VXGBXAGGSA-N 0 3 240.347 0.733 20 0 BCADHN CCOCCN(CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879486013 590779762 /nfs/dbraw/zinc/77/97/62/590779762.db2.gz IZKJZPVDFWUQLW-GFCCVEGCSA-N 0 3 240.347 0.999 20 0 BCADHN O[C@@H](CN1CCCC1)CN1CCCCCO1 ZINC000879509521 590782475 /nfs/dbraw/zinc/78/24/75/590782475.db2.gz NTQXMWHIUQKFAO-LBPRGKRZSA-N 0 3 228.336 0.861 20 0 BCADHN CN(C)C(=O)CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879555438 590796159 /nfs/dbraw/zinc/79/61/59/590796159.db2.gz NTHXNXIUCPVSRQ-UWVGGRQHSA-N 0 3 228.361 0.760 20 0 BCADHN CON(C)C(=O)CN1CC[C@H]2CSC[C@H]2C1 ZINC000879562885 590803009 /nfs/dbraw/zinc/80/30/09/590803009.db2.gz NPTGWLNPWVAIDA-VHSXEESVSA-N 0 3 244.360 0.691 20 0 BCADHN CON(C)C(=O)CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879562884 590803330 /nfs/dbraw/zinc/80/33/30/590803330.db2.gz NPTGWLNPWVAIDA-UWVGGRQHSA-N 0 3 244.360 0.691 20 0 BCADHN C[S@@](=O)CCN1C[C@@H](O)CC(C)(C)C1 ZINC000879624591 590838726 /nfs/dbraw/zinc/83/87/26/590838726.db2.gz XLMJKGCEVDYZGK-LKFCYVNXSA-N 0 3 219.350 0.458 20 0 BCADHN Cc1cnccc1CCN1CC[C@@H](O)[C@@H](O)C1 ZINC000879609361 590827972 /nfs/dbraw/zinc/82/79/72/590827972.db2.gz SHJAVFFOKCKYEB-OLZOCXBDSA-N 0 3 236.315 0.360 20 0 BCADHN CC(C)(C)OCCCN1CC[C@@H](O)[C@@H](O)C1 ZINC000879611284 590829896 /nfs/dbraw/zinc/82/98/96/590829896.db2.gz DYLAVURUZCKNFS-MNOVXSKESA-N 0 3 231.336 0.619 20 0 BCADHN CCOC[C@@H](O)CN1C[C@H](O)CC(C)(C)C1 ZINC000879619629 590834665 /nfs/dbraw/zinc/83/46/65/590834665.db2.gz YAFHCPLUYGEYDA-MNOVXSKESA-N 0 3 231.336 0.477 20 0 BCADHN CC1(C)C[C@@H](O)CN(C[C@@H]2COCCO2)C1 ZINC000879624184 590838580 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242.319 0.843 20 0 BCADHN COCCOC(=O)N[C@H]1CCN(C)C1 ZINC000884972520 592031237 /nfs/dbraw/zinc/03/12/37/592031237.db2.gz RATNURNDGWLFTG-QMMMGPOBSA-N 0 3 202.254 0.063 20 0 BCADHN COCCOC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000884996895 592032819 /nfs/dbraw/zinc/03/28/19/592032819.db2.gz DNZGPVQAJIYSSX-LLVKDONJSA-N 0 3 242.319 0.940 20 0 BCADHN C[C@@H]1C(=O)CCCN1C(=O)C12CCN(CC1)C2 ZINC000885062422 592043519 /nfs/dbraw/zinc/04/35/19/592043519.db2.gz IKFWVBIIMCMSQH-SNVBAGLBSA-N 0 3 236.315 0.662 20 0 BCADHN C[C@@H]1CCC(=O)CN1C(=O)C1CCN(C)CC1 ZINC000885071571 592045380 /nfs/dbraw/zinc/04/53/80/592045380.db2.gz GYZKPLYFJOYGLK-SNVBAGLBSA-N 0 3 238.331 0.908 20 0 BCADHN C[C@H]1CCC(=O)CN1C(=O)C1CCN(C)CC1 ZINC000885071570 592045444 /nfs/dbraw/zinc/04/54/44/592045444.db2.gz GYZKPLYFJOYGLK-JTQLQIEISA-N 0 3 238.331 0.908 20 0 BCADHN C[C@H]1CCC(=O)CN1C(=O)C[C@@H]1CCN(C)C1 ZINC000885072922 592045876 /nfs/dbraw/zinc/04/58/76/592045876.db2.gz IDJKSVAEOWMYPJ-QWRGUYRKSA-N 0 3 238.331 0.908 20 0 BCADHN CCN(CC1CC1)S(=O)(=O)CCCN(C)C ZINC000885389347 592075172 /nfs/dbraw/zinc/07/51/72/592075172.db2.gz XQERLPXCTQPTSF-UHFFFAOYSA-N 0 3 248.392 1.000 20 0 BCADHN CCCN(C)CC(=O)NCCO[C@@H]1CCOC1 ZINC000885733931 592096835 /nfs/dbraw/zinc/09/68/35/592096835.db2.gz PQNPUWWWSBYROD-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN CCNC(=O)CN(CC)C[C@@H]1C[C@]12CCOC2 ZINC000885940853 592111845 /nfs/dbraw/zinc/11/18/45/592111845.db2.gz TXNLBOACEPUGSW-AAEUAGOBSA-N 0 3 240.347 0.871 20 0 BCADHN CCNC(=O)CN(CC)C[C@H]1C[C@]12CCOC2 ZINC000885940856 592112311 /nfs/dbraw/zinc/11/23/11/592112311.db2.gz TXNLBOACEPUGSW-YPMHNXCESA-N 0 3 240.347 0.871 20 0 BCADHN CC(C)NC(=O)CN(C)C[C@@H]1C[C@]12CCOC2 ZINC000885946936 592112882 /nfs/dbraw/zinc/11/28/82/592112882.db2.gz VOZHEBYIWBSBPO-AAEUAGOBSA-N 0 3 240.347 0.869 20 0 BCADHN CNC(=O)CCCNCc1[nH]nc(C)c1C ZINC000885949366 592114025 /nfs/dbraw/zinc/11/40/25/592114025.db2.gz VQZSQLREZGGNAQ-UHFFFAOYSA-N 0 3 224.308 0.642 20 0 BCADHN CNC(=O)CN(C)C[C@@H]1C[C@@]12CCOC2 ZINC000885951878 592114138 /nfs/dbraw/zinc/11/41/38/592114138.db2.gz QRTJZAPJMOEJFT-GXSJLCMTSA-N 0 3 212.293 0.091 20 0 BCADHN COCCN(C)CCNCc1[nH]nc(C)c1C ZINC000885963713 592116923 /nfs/dbraw/zinc/11/69/23/592116923.db2.gz PTLYJSINAOUJEC-UHFFFAOYSA-N 0 3 240.351 0.694 20 0 BCADHN CCN(CCOC)C[C@](C)(O)C(F)F ZINC000885964872 592117290 /nfs/dbraw/zinc/11/72/90/592117290.db2.gz GJWUOFNOBCAHIE-VIFPVBQESA-N 0 3 211.252 0.971 20 0 BCADHN COCCCN(C)C[C@@](C)(O)C(F)F ZINC000885967083 592118200 /nfs/dbraw/zinc/11/82/00/592118200.db2.gz HFIHPVPEDHOMLR-SECBINFHSA-N 0 3 211.252 0.971 20 0 BCADHN Cc1n[nH]c(CNCCCS(C)(=O)=O)c1C ZINC000885969131 592118263 /nfs/dbraw/zinc/11/82/63/592118263.db2.gz LFICWNDSJQHWEZ-UHFFFAOYSA-N 0 3 245.348 0.551 20 0 BCADHN Cc1[nH]nc(CNCCCS(C)(=O)=O)c1C ZINC000885969131 592118265 /nfs/dbraw/zinc/11/82/65/592118265.db2.gz LFICWNDSJQHWEZ-UHFFFAOYSA-N 0 3 245.348 0.551 20 0 BCADHN COC[C@](C)(CCO)NCc1[nH]nc(C)c1C ZINC000886010858 592129802 /nfs/dbraw/zinc/12/98/02/592129802.db2.gz QTDBQIHHXRVKBB-LBPRGKRZSA-N 0 3 241.335 0.904 20 0 BCADHN COC[C@](C)(CCO)NCc1n[nH]c(C)c1C ZINC000886010858 592129805 /nfs/dbraw/zinc/12/98/05/592129805.db2.gz QTDBQIHHXRVKBB-LBPRGKRZSA-N 0 3 241.335 0.904 20 0 BCADHN CNC(=O)[C@H](C)CN(C)C[C@](C)(O)C(F)F ZINC000886030302 592136738 /nfs/dbraw/zinc/13/67/38/592136738.db2.gz IXABRXPVFPHRPO-XCBNKYQSSA-N 0 3 238.278 0.316 20 0 BCADHN CO[C@@]1(CNCc2[nH]nc(C)c2C)CCOC1 ZINC000886065028 592142238 /nfs/dbraw/zinc/14/22/38/592142238.db2.gz NRFLDOFFNJFFOO-GFCCVEGCSA-N 0 3 239.319 0.922 20 0 BCADHN CO[C@@]1(CNCc2n[nH]c(C)c2C)CCOC1 ZINC000886065028 592142240 /nfs/dbraw/zinc/14/22/40/592142240.db2.gz NRFLDOFFNJFFOO-GFCCVEGCSA-N 0 3 239.319 0.922 20 0 BCADHN Cc1[nH]nc(CN[C@@H](C)C(=O)N(C)C)c1C ZINC000886089422 592145444 /nfs/dbraw/zinc/14/54/44/592145444.db2.gz AUZSGLGWOOSGTO-VIFPVBQESA-N 0 3 224.308 0.593 20 0 BCADHN C[C@@H]1CC(=O)NCCN1C[C@H]1C[C@]12CCOC2 ZINC000886091459 592146459 /nfs/dbraw/zinc/14/64/59/592146459.db2.gz AKTMPJVSYMZQPL-WZRBSPASSA-N 0 3 238.331 0.623 20 0 BCADHN CC[C@@H]1CN(C[C@](C)(O)C(F)F)C[C@@H]1O ZINC000886094504 592147618 /nfs/dbraw/zinc/14/76/18/592147618.db2.gz UGCIOSYOALIVNK-WEDXCCLWSA-N 0 3 223.263 0.705 20 0 BCADHN COC(CN1CCC2(CC1)OCCO2)OC ZINC000136739845 592149692 /nfs/dbraw/zinc/14/96/92/592149692.db2.gz MDQOPOVKLRESRK-UHFFFAOYSA-N 0 3 231.292 0.444 20 0 BCADHN OC[C@@H](O)CNC/C=C\c1cccc(F)c1 ZINC000886100608 592154719 /nfs/dbraw/zinc/15/47/19/592154719.db2.gz SKLURACBTYTRGQ-QQHVMHFCSA-N 0 3 225.263 0.782 20 0 BCADHN C[C@@](O)(CN1C[C@@H](O)C(C)(C)C1)C(F)F ZINC000886178830 592170358 /nfs/dbraw/zinc/17/03/58/592170358.db2.gz GOGAHJJFIDJZCM-GMSGAONNSA-N 0 3 223.263 0.705 20 0 BCADHN NC(=O)C1(NC[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886118583 592156861 /nfs/dbraw/zinc/15/68/61/592156861.db2.gz KXPPOMHUOQZWGU-JTQLQIEISA-N 0 3 238.331 0.943 20 0 BCADHN NC(=O)C1(NCCSC(F)(F)F)CC1 ZINC000886118586 592157191 /nfs/dbraw/zinc/15/71/91/592157191.db2.gz KYLZPFOFDHGGDC-UHFFFAOYSA-N 0 3 228.239 0.847 20 0 BCADHN NC(=O)C1(NC[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886118577 592157565 /nfs/dbraw/zinc/15/75/65/592157565.db2.gz KRWNUSJECXWUQT-NXEZZACHSA-N 0 3 224.304 0.552 20 0 BCADHN CNC(=O)C[C@H](C)NCc1[nH]nc(C)c1C ZINC000886136235 592160918 /nfs/dbraw/zinc/16/09/18/592160918.db2.gz JCQYRSWDKMXRMR-ZETCQYMHSA-N 0 3 224.308 0.641 20 0 BCADHN CNC(=O)C[C@H](C)NCc1n[nH]c(C)c1C ZINC000886136235 592160919 /nfs/dbraw/zinc/16/09/19/592160919.db2.gz JCQYRSWDKMXRMR-ZETCQYMHSA-N 0 3 224.308 0.641 20 0 BCADHN C[C@](O)(CN1CC[C@H](n2cncn2)C1)C(F)F ZINC000886145317 592162901 /nfs/dbraw/zinc/16/29/01/592162901.db2.gz VAXSTCQLVOBDFJ-WPRPVWTQSA-N 0 3 246.261 0.541 20 0 BCADHN CC[C@]1(O)CCN(C[C@@](C)(O)C(F)F)C1 ZINC000886147279 592163486 /nfs/dbraw/zinc/16/34/86/592163486.db2.gz ODZHIGJAYPMXHS-ZJUUUORDSA-N 0 3 223.263 0.849 20 0 BCADHN Cc1n[nH]c(CNCCN2CCCC2=O)c1C ZINC000886154045 592164660 /nfs/dbraw/zinc/16/46/60/592164660.db2.gz XWNLBEWGLJSWQH-UHFFFAOYSA-N 0 3 236.319 0.739 20 0 BCADHN Cc1[nH]nc(CNCCN2CCCC2=O)c1C ZINC000886154045 592164661 /nfs/dbraw/zinc/16/46/61/592164661.db2.gz XWNLBEWGLJSWQH-UHFFFAOYSA-N 0 3 236.319 0.739 20 0 BCADHN Cc1coc(CNCCN2CC[C@@H](O)C2)c1 ZINC000886171944 592169559 /nfs/dbraw/zinc/16/95/59/592169559.db2.gz SCDXJICZVHQSJA-LLVKDONJSA-N 0 3 224.304 0.744 20 0 BCADHN CCN(CCOCCO)C[C@@](C)(O)C(F)F ZINC000886190477 592173720 /nfs/dbraw/zinc/17/37/20/592173720.db2.gz RSXFFBDWMYEDCD-SNVBAGLBSA-N 0 3 241.278 0.333 20 0 BCADHN Cc1[nH]nc(CN[C@]23C[C@H]2COC3)c1C ZINC000886199492 592174516 /nfs/dbraw/zinc/17/45/16/592174516.db2.gz YUQLERFGGGOTEF-ONGXEEELSA-N 0 3 207.277 0.905 20 0 BCADHN C[C@](O)(CN(CCO)CC1CC1)C(F)F ZINC000886201670 592175003 /nfs/dbraw/zinc/17/50/03/592175003.db2.gz NEJILIPQVVGTFT-JTQLQIEISA-N 0 3 223.263 0.707 20 0 BCADHN O=c1ccc(CN[C@]23C[C@H]2COC3)c[nH]1 ZINC000886200656 592175257 /nfs/dbraw/zinc/17/52/57/592175257.db2.gz VWIPILNCBLPWQC-ONGXEEELSA-N 0 3 206.245 0.666 20 0 BCADHN Cn1nnc2cc(CN[C@]34C[C@H]3COC4)ccc21 ZINC000886201955 592175386 /nfs/dbraw/zinc/17/53/86/592175386.db2.gz XSXXYIRYFGIQGJ-GWCFXTLKSA-N 0 3 244.298 0.847 20 0 BCADHN Cc1n[nH]cc1CN[C@@H](CO)C[C@H]1CCCO1 ZINC000886229116 592181075 /nfs/dbraw/zinc/18/10/75/592181075.db2.gz LGANOWLLAZDPOJ-VXGBXAGGSA-N 0 3 239.319 0.738 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@](C)(O)C(F)F ZINC000886236630 592181564 /nfs/dbraw/zinc/18/15/64/592181564.db2.gz LWRNJDSDKSGTME-MRTMQBJTSA-N 0 3 239.262 0.396 20 0 BCADHN C[C@@H]1C[C@H](O)CN(C[C@](C)(O)C(F)F)C1 ZINC000886238771 592182023 /nfs/dbraw/zinc/18/20/23/592182023.db2.gz HRZXWULAVPHUSI-WEDXCCLWSA-N 0 3 223.263 0.705 20 0 BCADHN O[C@@H]1C[C@@H](NCc2cccnc2)C[C@@H]1O ZINC000886240670 592182788 /nfs/dbraw/zinc/18/27/88/592182788.db2.gz AGPOSAMLKCVXMU-RTCCRHLQSA-N 0 3 208.261 0.055 20 0 BCADHN C[C@H]1CN(CCO)CCN1CCCCCCO ZINC000886238908 592183008 /nfs/dbraw/zinc/18/30/08/592183008.db2.gz LPEIDCCOMRXBTH-ZDUSSCGKSA-N 0 3 244.379 0.538 20 0 BCADHN Cc1ncsc1CN[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886243343 592183489 /nfs/dbraw/zinc/18/34/89/592183489.db2.gz VVVJCLOUGVHNPP-PSVAKVPMSA-N 0 3 228.317 0.425 20 0 BCADHN O[C@@H]1C[C@@H](NCc2ccc3[nH]cnc3c2)C[C@@H]1O ZINC000886243002 592183779 /nfs/dbraw/zinc/18/37/79/592183779.db2.gz LPFXBUPMTWAVMX-CGJHYDBRSA-N 0 3 247.298 0.537 20 0 BCADHN O[C@@H]1C[C@@H](NCc2ccc3nc[nH]c3c2)C[C@@H]1O ZINC000886243002 592183781 /nfs/dbraw/zinc/18/37/81/592183781.db2.gz LPFXBUPMTWAVMX-CGJHYDBRSA-N 0 3 247.298 0.537 20 0 BCADHN O[C@@H]1C[C@@H](NCc2cnn3ccccc23)C[C@@H]1O ZINC000886242831 592183914 /nfs/dbraw/zinc/18/39/14/592183914.db2.gz FRPDUQRTWUPKHJ-UOJUARBOSA-N 0 3 247.298 0.308 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCc1[nH]ncc1C ZINC000886242884 592183962 /nfs/dbraw/zinc/18/39/62/592183962.db2.gz HXYKCIHLYHADAH-VHSXEESVSA-N 0 3 211.265 0.222 20 0 BCADHN O[C@@H]1C[C@@H](NCc2cccs2)C[C@@H]1O ZINC000886241279 592184009 /nfs/dbraw/zinc/18/40/09/592184009.db2.gz TZPBYCXWUHPHHE-SLGCYQGISA-N 0 3 213.302 0.722 20 0 BCADHN Cc1c[nH]nc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000886246937 592184920 /nfs/dbraw/zinc/18/49/20/592184920.db2.gz BMSZGSJOWQCGKL-PWSUYJOCSA-N 0 3 239.319 0.595 20 0 BCADHN CC(C)n1cncc1CN[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886247271 592185446 /nfs/dbraw/zinc/18/54/46/592185446.db2.gz MAAPDGPOQATCCU-WLLOZRIZSA-N 0 3 239.319 0.438 20 0 BCADHN O[C@@H]1C[C@H](NCc2cc3cccnc3o2)C[C@@H]1O ZINC000886254158 592188161 /nfs/dbraw/zinc/18/81/61/592188161.db2.gz ZFFZGIRAPVBWIM-YHPBZONMSA-N 0 3 248.282 0.802 20 0 BCADHN COc1ccsc1CN[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886255564 592188176 /nfs/dbraw/zinc/18/81/76/592188176.db2.gz AHOQJDXPXLDSFL-AYMMMOKOSA-N 0 3 243.328 0.731 20 0 BCADHN O[C@@H]1C[C@H](NCc2ccc3c(n2)CCC3)C[C@@H]1O ZINC000886254086 592188180 /nfs/dbraw/zinc/18/81/80/592188180.db2.gz WOEGZWVUWJNMKM-UBSAEIQESA-N 0 3 248.326 0.544 20 0 BCADHN CCc1ncc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000886255696 592188184 /nfs/dbraw/zinc/18/81/84/592188184.db2.gz GJVHLLLYMVUABH-LETLQTKMSA-N 0 3 242.344 0.679 20 0 BCADHN O[C@@H]1C[C@H](NCc2cncs2)C[C@@H]1O ZINC000886255721 592188359 /nfs/dbraw/zinc/18/83/59/592188359.db2.gz HTDWFOQABXOEED-ZFRGLUTLSA-N 0 3 214.290 0.117 20 0 BCADHN O[C@@H]1C[C@H](NCc2ccc3[nH]cnc3c2)C[C@@H]1O ZINC000886255814 592188549 /nfs/dbraw/zinc/18/85/49/592188549.db2.gz LPFXBUPMTWAVMX-YSCVYTRNSA-N 0 3 247.298 0.537 20 0 BCADHN O[C@@H]1C[C@H](NCc2ccc3nc[nH]c3c2)C[C@@H]1O ZINC000886255814 592188551 /nfs/dbraw/zinc/18/85/51/592188551.db2.gz LPFXBUPMTWAVMX-YSCVYTRNSA-N 0 3 247.298 0.537 20 0 BCADHN O[C@@H]1C[C@H](NCc2cccnc2)C[C@@H]1O ZINC000886257451 592188857 /nfs/dbraw/zinc/18/88/57/592188857.db2.gz AGPOSAMLKCVXMU-JGPRNRPPSA-N 0 3 208.261 0.055 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@](C)(O)C(F)F ZINC000886265828 592189682 /nfs/dbraw/zinc/18/96/82/592189682.db2.gz SKIJFYJRQVMUEM-BHNWBGBOSA-N 0 3 225.235 0.006 20 0 BCADHN C[C@@](O)(CN1CCC2(COC2)C1)C(F)F ZINC000886285187 592200559 /nfs/dbraw/zinc/20/05/59/592200559.db2.gz ASMQDVFCAPAKSH-SECBINFHSA-N 0 3 221.247 0.725 20 0 BCADHN Cc1cn[nH]c1CN[C@H]1CS(=O)(=O)C[C@H]1C ZINC000886293728 592201769 /nfs/dbraw/zinc/20/17/69/592201769.db2.gz OHCMFIDQQSSWLK-SCZZXKLOSA-N 0 3 243.332 0.241 20 0 BCADHN CC(C)C[C@H](C)NCc1nnc2c(=O)[nH]ccn12 ZINC000886292561 592201940 /nfs/dbraw/zinc/20/19/40/592201940.db2.gz RDDLVWWMRDJOBA-VIFPVBQESA-N 0 3 249.318 0.942 20 0 BCADHN NC(=O)[C@@H]1CCCN1C[C@@H]1C[C@@]12CCOC2 ZINC000886298671 592203138 /nfs/dbraw/zinc/20/31/38/592203138.db2.gz GUHGHCYVRQODFM-JBLDHEPKSA-N 0 3 224.304 0.363 20 0 BCADHN COCCCNC(=O)[C@@H](C)N1C[C@@H]2C[C@@H]2C1 ZINC000886330798 592210393 /nfs/dbraw/zinc/21/03/93/592210393.db2.gz XAFMDZOSJQAODE-MXWKQRLJSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@@H]1CC[C@H](NCc2cn(CC(N)=O)nn2)C1 ZINC000886351482 592215357 /nfs/dbraw/zinc/21/53/57/592215357.db2.gz HHCWZNJJUXPCGW-BDAKNGLRSA-N 0 3 237.307 0.042 20 0 BCADHN c1nnn2c1CN(CCN1CCCCC1)CCC2 ZINC000886455414 592227004 /nfs/dbraw/zinc/22/70/04/592227004.db2.gz NSGPAJFQNPCECR-UHFFFAOYSA-N 0 3 249.362 0.970 20 0 BCADHN c1nnn2c1CN(CC[C@H]1CCOC1)CCC2 ZINC000886466743 592229275 /nfs/dbraw/zinc/22/92/75/592229275.db2.gz HVSRZTQRTALRRB-NSHDSACASA-N 0 3 236.319 0.910 20 0 BCADHN CN(C[C@@H](O)c1ccccn1)[C@@H]1CCC[C@H]1O ZINC000886482035 592231387 /nfs/dbraw/zinc/23/13/87/592231387.db2.gz UKRYAUXRTHTXHS-JHJVBQTASA-N 0 3 236.315 0.960 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](N[C@@H]2CC(=O)N(C)C2)C1 ZINC000886521375 592244569 /nfs/dbraw/zinc/24/45/69/592244569.db2.gz ZMUJDDAZYSWECG-OPRDCNLKSA-N 0 3 240.303 0.148 20 0 BCADHN C(C1OCCO1)N1C[C@@H]2CSC[C@@H]2C1 ZINC000886568339 592261561 /nfs/dbraw/zinc/26/15/61/592261561.db2.gz HQLHHKIFRLLBJH-DTORHVGOSA-N 0 3 215.318 0.654 20 0 BCADHN Cc1nc([C@H](C)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)n[nH]1 ZINC000886573180 592265826 /nfs/dbraw/zinc/26/58/26/592265826.db2.gz YOEGQPRQTLKSSL-BBHBSTQDSA-N 0 3 236.319 0.877 20 0 BCADHN COC(=O)[C@H]1CC[C@@H](NCC(=O)N(C)C)C1 ZINC000886581674 592268392 /nfs/dbraw/zinc/26/83/92/592268392.db2.gz ITQUWLQOJGDSCH-DTWKUNHWSA-N 0 3 228.292 0.006 20 0 BCADHN COC(=O)[C@H]1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC000886617372 592276044 /nfs/dbraw/zinc/27/60/44/592276044.db2.gz LPKOFNNMIZGFMO-GUBZILKMSA-N 0 3 240.303 0.196 20 0 BCADHN CC[C@H](N[C@@H]1CC[C@@H](C(=O)OC)C1)C(=O)NC ZINC000886621929 592278970 /nfs/dbraw/zinc/27/89/70/592278970.db2.gz GFHJHIHKPGIMLV-BBBLOLIVSA-N 0 3 242.319 0.442 20 0 BCADHN CC[C@H](N[C@H]1CC[C@H](C(=O)OC)C1)C(=O)NC ZINC000886621930 592278977 /nfs/dbraw/zinc/27/89/77/592278977.db2.gz GFHJHIHKPGIMLV-GUBZILKMSA-N 0 3 242.319 0.442 20 0 BCADHN OC[C@]12CCC[C@H]1N(CCn1cncn1)CC2 ZINC000886627012 592280709 /nfs/dbraw/zinc/28/07/09/592280709.db2.gz QQUWVWQWDJQPRO-VXGBXAGGSA-N 0 3 236.319 0.515 20 0 BCADHN CCC(CC)NCc1nnc2c(=O)[nH]ccn12 ZINC000886702934 592306630 /nfs/dbraw/zinc/30/66/30/592306630.db2.gz HRJXKSHUXLHNET-UHFFFAOYSA-N 0 3 235.291 0.696 20 0 BCADHN OCCCN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886795220 592327535 /nfs/dbraw/zinc/32/75/35/592327535.db2.gz ODLRVSRMMCOUSA-MRVPVSSYSA-N 0 3 227.226 0.616 20 0 BCADHN C[C@@H](CO)CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886808769 592333637 /nfs/dbraw/zinc/33/36/37/592333637.db2.gz PBFQQJSXMRAWPU-RKDXNWHRSA-N 0 3 241.253 0.862 20 0 BCADHN CNC(=O)CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886819677 592341534 /nfs/dbraw/zinc/34/15/34/592341534.db2.gz VLJUGVXXGHMWPP-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000886865859 592373438 /nfs/dbraw/zinc/37/34/38/592373438.db2.gz WSYOOOOKKYDJDH-UWVGGRQHSA-N 0 3 228.292 0.596 20 0 BCADHN CCOCCCN1CC[C@H](NC(=O)OC)C1 ZINC000886862115 592373732 /nfs/dbraw/zinc/37/37/32/592373732.db2.gz ZKGXQTWGCWZVCS-JTQLQIEISA-N 0 3 230.308 0.843 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@H]2CCCO2)C1 ZINC000886865860 592374232 /nfs/dbraw/zinc/37/42/32/592374232.db2.gz WSYOOOOKKYDJDH-VHSXEESVSA-N 0 3 228.292 0.596 20 0 BCADHN COC[C@H](NCC1OCCO1)[C@H]1CCCOC1 ZINC000886913730 592394763 /nfs/dbraw/zinc/39/47/63/592394763.db2.gz IYSHNXRKROJYRT-QWRGUYRKSA-N 0 3 245.319 0.391 20 0 BCADHN O=C1NCC[C@@H]1NCC1(C2(O)CCC2)CCC1 ZINC000886976543 592403341 /nfs/dbraw/zinc/40/33/41/592403341.db2.gz DUJPTIQBLRMRFG-JTQLQIEISA-N 0 3 238.331 0.550 20 0 BCADHN CCOCC[C@H](O)CN[C@H](C(N)=O)[C@@H](C)CC ZINC000887057559 592433142 /nfs/dbraw/zinc/43/31/42/592433142.db2.gz LNZOLUOXEBZHHE-DCAQKATOSA-N 0 3 246.351 0.264 20 0 BCADHN CC[C@H](C)[C@H](NCCC(=O)N(C)CC)C(N)=O ZINC000887059355 592433951 /nfs/dbraw/zinc/43/39/51/592433951.db2.gz QLQNPEVZXQITGQ-ONGXEEELSA-N 0 3 243.351 0.344 20 0 BCADHN CNC(=O)C1(N[C@H]2C=CCCC2)CCOCC1 ZINC000887086563 592436874 /nfs/dbraw/zinc/43/68/74/592436874.db2.gz SPAOYRUPMIYFDN-NSHDSACASA-N 0 3 238.331 0.980 20 0 BCADHN CN(CCCF)C[C@H](O)COC[C@H]1CCCO1 ZINC000887136585 592451158 /nfs/dbraw/zinc/45/11/58/592451158.db2.gz XDVUUQYVQIAKLX-NWDGAFQWSA-N 0 3 249.326 0.834 20 0 BCADHN CN(C)S(=O)(=O)CCCN(C)CCCF ZINC000887138596 592453191 /nfs/dbraw/zinc/45/31/91/592453191.db2.gz CYNYHZLLIDFXGQ-UHFFFAOYSA-N 0 3 240.344 0.559 20 0 BCADHN CN(CCCF)[C@@H]1CCC(=O)NC1=O ZINC000887141449 592457983 /nfs/dbraw/zinc/45/79/83/592457983.db2.gz URCYAGXIGDUFHA-SSDOTTSWSA-N 0 3 202.229 0.083 20 0 BCADHN Cc1cc(NC(=O)NCCN(C)CCO)no1 ZINC000887167878 592465354 /nfs/dbraw/zinc/46/53/54/592465354.db2.gz QYMHSJZCWCGQEZ-UHFFFAOYSA-N 0 3 242.279 0.029 20 0 BCADHN COCCNC(=O)N1CCNCCC12CCC2 ZINC000887278858 592476337 /nfs/dbraw/zinc/47/63/37/592476337.db2.gz PRXCGZUNYQQMTQ-UHFFFAOYSA-N 0 3 241.335 0.560 20 0 BCADHN CC(C)C[C@H](O)CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000300273744 592505899 /nfs/dbraw/zinc/50/58/99/592505899.db2.gz BMECJVJQKZILEM-WOPDTQHZSA-N 0 3 242.363 0.898 20 0 BCADHN CC(C)[C@@H](N)c1cn(C[C@@](C)(O)C(F)F)nn1 ZINC000887465175 592510745 /nfs/dbraw/zinc/51/07/45/592510745.db2.gz STGYCPJYJLQTMB-PSASIEDQSA-N 0 3 248.277 0.950 20 0 BCADHN CC[C@](C)(N)c1cn(C[C@](C)(O)C(F)F)nn1 ZINC000887465504 592510902 /nfs/dbraw/zinc/51/09/02/592510902.db2.gz ZZQOFENJMRQLBO-UWVGGRQHSA-N 0 3 248.277 0.878 20 0 BCADHN CC(C)[C@H](N)c1cn(C[C@](C)(O)C(F)F)nn1 ZINC000887465178 592510918 /nfs/dbraw/zinc/51/09/18/592510918.db2.gz STGYCPJYJLQTMB-WPRPVWTQSA-N 0 3 248.277 0.950 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCCN1CCCCC1 ZINC000302683926 592551264 /nfs/dbraw/zinc/55/12/64/592551264.db2.gz QSLSVNAPNBRWQL-LBPRGKRZSA-N 0 3 239.363 0.716 20 0 BCADHN COCC1CCN(C(=O)[C@@H](N)CC2CC2)CC1 ZINC000302673096 592551749 /nfs/dbraw/zinc/55/17/49/592551749.db2.gz MHPDJNNOTSPERD-LBPRGKRZSA-N 0 3 240.347 0.999 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C(=O)[C@@H](N)CC1CC1 ZINC000302697874 592552295 /nfs/dbraw/zinc/55/22/95/592552295.db2.gz VAKGZGXJLYGJPG-WPRPVWTQSA-N 0 3 242.319 0.381 20 0 BCADHN CN1C[C@@H]2CN(C(=O)c3cocn3)C[C@]2(C)C1 ZINC000887933108 592560455 /nfs/dbraw/zinc/56/04/55/592560455.db2.gz DHZDEKBIEOQTRR-SKDRFNHKSA-N 0 3 235.287 0.698 20 0 BCADHN CC(C)(C(=O)N1CC[C@H]1CO)N1CCCCC1 ZINC000889160471 592586624 /nfs/dbraw/zinc/58/66/24/592586624.db2.gz XZTMHMXAFSISST-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H](CNC(=O)N[C@]12C[C@H]1COC2)N(C)C ZINC000889180589 592587315 /nfs/dbraw/zinc/58/73/15/592587315.db2.gz FTRACARSWOWYQZ-QXEWZRGKSA-N 0 3 227.308 0.025 20 0 BCADHN CN1CCC2(CCN2C(=O)C2(O)CCC2)CC1 ZINC000889223052 592590450 /nfs/dbraw/zinc/59/04/50/592590450.db2.gz KUTJEVDXFSKVCR-UHFFFAOYSA-N 0 3 238.331 0.598 20 0 BCADHN Cc1nnc(CNC(=O)CN(C)C2CCC2)[nH]1 ZINC000889700194 592647041 /nfs/dbraw/zinc/64/70/41/592647041.db2.gz UULHGYZBOUIWBM-UHFFFAOYSA-N 0 3 237.307 0.214 20 0 BCADHN Cc1nc(CNC(=O)[C@H]2CCCN2C2CC2)n[nH]1 ZINC000889702691 592649063 /nfs/dbraw/zinc/64/90/63/592649063.db2.gz HPRNCGDLXGQBQM-SNVBAGLBSA-N 0 3 249.318 0.356 20 0 BCADHN Cc1nc(CNC(=O)[C@H]2CCCCN2C)n[nH]1 ZINC000889705891 592649672 /nfs/dbraw/zinc/64/96/72/592649672.db2.gz NEKUTHOPYCKFNS-SECBINFHSA-N 0 3 237.307 0.214 20 0 BCADHN CCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889782669 592654006 /nfs/dbraw/zinc/65/40/06/592654006.db2.gz UPVLLGYHOUVYHL-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN CCCN(C)CC(=O)NC1CC(CCO)C1 ZINC000889975939 592665251 /nfs/dbraw/zinc/66/52/51/592665251.db2.gz LWBQZTPCDSULQH-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN CCN1CC[C@H]1CNC(=O)NCCN1CCC1 ZINC000890065109 592674962 /nfs/dbraw/zinc/67/49/62/592674962.db2.gz ACVGBTDBFAVMME-NSHDSACASA-N 0 3 240.351 0.086 20 0 BCADHN CCOCC(=O)NCCN1CCC(C)(C)C1 ZINC000890081677 592678328 /nfs/dbraw/zinc/67/83/28/592678328.db2.gz KKBABAOFQXVECF-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@H](C)SC ZINC000122306020 592712024 /nfs/dbraw/zinc/71/20/24/592712024.db2.gz PURZYBZMHWTJAI-YUMQZZPRSA-N 0 3 220.338 0.218 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)n1cc([C@@H](C)N)nn1 ZINC000124240339 592717064 /nfs/dbraw/zinc/71/70/64/592717064.db2.gz FDCYYCSXUQEZAD-DJLDLDEBSA-N 0 3 239.323 0.774 20 0 BCADHN CC(C)CNC(=O)[C@H](C)n1cc([C@H](C)N)nn1 ZINC000124231283 592717072 /nfs/dbraw/zinc/71/70/72/592717072.db2.gz LHSSQYMJYRPTOS-IUCAKERBSA-N 0 3 239.323 0.631 20 0 BCADHN COc1cccc(Cn2cc([C@@H](C)N)nn2)n1 ZINC000124295791 592717821 /nfs/dbraw/zinc/71/78/21/592717821.db2.gz UXMHRAHIURDUNZ-MRVPVSSYSA-N 0 3 233.275 0.750 20 0 BCADHN COCC[C@@H](N)C(=O)NCCCC(F)(F)F ZINC000124326853 592717848 /nfs/dbraw/zinc/71/78/48/592717848.db2.gz BBGZOWYYECHXON-SSDOTTSWSA-N 0 3 242.241 0.809 20 0 BCADHN C[C@H](O)C[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000095228528 599146407 /nfs/dbraw/zinc/14/64/07/599146407.db2.gz OBBHDIKZTDRASG-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](O)C[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000095228528 599146408 /nfs/dbraw/zinc/14/64/08/599146408.db2.gz OBBHDIKZTDRASG-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](O)C[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000095228528 599146412 /nfs/dbraw/zinc/14/64/12/599146412.db2.gz OBBHDIKZTDRASG-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](O)C[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000095228528 599146414 /nfs/dbraw/zinc/14/64/14/599146414.db2.gz OBBHDIKZTDRASG-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN CC(C)(O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095205335 598711694 /nfs/dbraw/zinc/71/16/94/598711694.db2.gz MDQOQDAJBSDFDL-UHFFFAOYSA-N 0 3 247.302 0.727 20 0 BCADHN CC(C)(O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095205335 598711696 /nfs/dbraw/zinc/71/16/96/598711696.db2.gz MDQOQDAJBSDFDL-UHFFFAOYSA-N 0 3 247.302 0.727 20 0 BCADHN COCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736987181 599511129 /nfs/dbraw/zinc/51/11/29/599511129.db2.gz VJAUIIIBQRNRLX-UHFFFAOYSA-N 0 3 247.302 0.993 20 0 BCADHN COCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736987181 599511130 /nfs/dbraw/zinc/51/11/30/599511130.db2.gz VJAUIIIBQRNRLX-UHFFFAOYSA-N 0 3 247.302 0.993 20 0 BCADHN CC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095162795 599517775 /nfs/dbraw/zinc/51/77/75/599517775.db2.gz BFFZEWZRYMSWEA-LLVKDONJSA-N 0 3 247.302 0.727 20 0 BCADHN CC[C@H](CO)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095162795 599517777 /nfs/dbraw/zinc/51/77/77/599517777.db2.gz BFFZEWZRYMSWEA-LLVKDONJSA-N 0 3 247.302 0.727 20 0 BCADHN C[C@H](C(=O)[O-])[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000251531237 604363362 /nfs/dbraw/zinc/36/33/62/604363362.db2.gz FKFZDMOMIFDCPH-MXWKQRLJSA-N 0 3 226.320 0.876 20 0 BCADHN C[C@H](C(=O)[O-])[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000251531237 604363366 /nfs/dbraw/zinc/36/33/66/604363366.db2.gz FKFZDMOMIFDCPH-MXWKQRLJSA-N 0 3 226.320 0.876 20 0 BCADHN CN1CCC[C@@H]2C[N@H+](CCC(=O)[O-])CC[C@H]21 ZINC000227340049 604363082 /nfs/dbraw/zinc/36/30/82/604363082.db2.gz NLZNRMGXTCSDIJ-GHMZBOCLSA-N 0 3 226.320 0.877 20 0 BCADHN CN1CCC[C@@H]2C[N@@H+](CCC(=O)[O-])CC[C@H]21 ZINC000227340049 604363086 /nfs/dbraw/zinc/36/30/86/604363086.db2.gz NLZNRMGXTCSDIJ-GHMZBOCLSA-N 0 3 226.320 0.877 20 0 BCADHN CCn1cc(CNC2(CO)CC2)c(C)n1 ZINC000893388666 634384309 /nfs/dbraw/zinc/38/43/09/634384309.db2.gz RTYLERXYJNXQLP-UHFFFAOYSA-N 0 3 209.293 0.826 20 0 BCADHN C[C@H]([NH2+]CCCO)c1cccc(-c2nnn[n-]2)c1 ZINC000095248231 608489273 /nfs/dbraw/zinc/48/92/73/608489273.db2.gz ZGMOJELOHDRIKF-VIFPVBQESA-N 0 3 247.302 0.900 20 0 BCADHN C[C@H]([NH2+]CCCO)c1cccc(-c2nn[n-]n2)c1 ZINC000095248231 608489274 /nfs/dbraw/zinc/48/92/74/608489274.db2.gz ZGMOJELOHDRIKF-VIFPVBQESA-N 0 3 247.302 0.900 20 0 BCADHN CN1C[C@@H](NC[C@@H](O)c2ccccc2)CC1=O ZINC000313568230 634490252 /nfs/dbraw/zinc/49/02/52/634490252.db2.gz UOCCOQPPTOZXKX-NWDGAFQWSA-N 0 3 234.299 0.540 20 0 BCADHN C[C@@H]1COCC[C@H]1Nc1ccncc1CO ZINC000893501658 634537159 /nfs/dbraw/zinc/53/71/59/634537159.db2.gz OZRDPKIYLGHYNN-MWLCHTKSSA-N 0 3 222.288 0.833 20 0 BCADHN C[C@H]1COCC[C@H]1Nc1ccncc1CO ZINC000893501656 634537807 /nfs/dbraw/zinc/53/78/07/634537807.db2.gz OZRDPKIYLGHYNN-GXSJLCMTSA-N 0 3 222.288 0.833 20 0 BCADHN CC(=O)N[C@@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001009804084 634580342 /nfs/dbraw/zinc/58/03/42/634580342.db2.gz SRFASGPDLCFDLR-NEPJUHHUSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](O)CN1CCCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000981757316 635391524 /nfs/dbraw/zinc/39/15/24/635391524.db2.gz BIBSGFYHQPTDQT-IJLUTSLNSA-N 0 3 240.347 0.558 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@H](C)[C@@H]1CCCO1 ZINC000230632315 635491256 /nfs/dbraw/zinc/49/12/56/635491256.db2.gz GTICBBNFAVJQGE-MNOVXSKESA-N 0 3 249.376 0.967 20 0 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/nfs/dbraw/zinc/63/49/26/635634926.db2.gz XFEXEMZIWMTEIX-UHFFFAOYSA-N 0 3 232.280 0.583 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N1CC[C@H](O)C1 ZINC000934026505 631604770 /nfs/dbraw/zinc/60/47/70/631604770.db2.gz NPDYMCOWQKFFQL-QWRGUYRKSA-N 0 3 226.320 0.452 20 0 BCADHN O=C(CCN1CC[C@H]1CO)N1CCCCC1 ZINC000934017914 631613225 /nfs/dbraw/zinc/61/32/25/631613225.db2.gz TZJBBAQQBKWPNH-NSHDSACASA-N 0 3 226.320 0.456 20 0 BCADHN OCc1ccc(CN2CC[C@@H]2CO)cc1 ZINC000934016551 631614583 /nfs/dbraw/zinc/61/45/83/631614583.db2.gz NDEQFBRPKADLRI-GFCCVEGCSA-N 0 3 207.273 0.746 20 0 BCADHN C[C@H]1CCCN1C(=O)CCN1CC[C@H]1CO ZINC000934027334 631620841 /nfs/dbraw/zinc/62/08/41/631620841.db2.gz QUTFKXDXMGQKHJ-QWRGUYRKSA-N 0 3 226.320 0.454 20 0 BCADHN COCC[C@@H](N)C(=O)NCC1(C)CCC1 ZINC000234665935 631658651 /nfs/dbraw/zinc/65/86/51/631658651.db2.gz XBZNTXYOJCXIAJ-SECBINFHSA-N 0 3 214.309 0.657 20 0 BCADHN COCC[C@H](N)C(=O)NCC1(C)CCC1 ZINC000234663776 631658811 /nfs/dbraw/zinc/65/88/11/631658811.db2.gz 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0.313 20 0 BCADHN OCC[C@]1(NCc2c[nH]cn2)CCOC1 ZINC000308904490 631723779 /nfs/dbraw/zinc/72/37/79/631723779.db2.gz DCEJSOHFOLXWGV-JTQLQIEISA-N 0 3 211.265 0.041 20 0 BCADHN OCC[C@]1(NCc2cnc[nH]2)CCOC1 ZINC000308904490 631723786 /nfs/dbraw/zinc/72/37/86/631723786.db2.gz DCEJSOHFOLXWGV-JTQLQIEISA-N 0 3 211.265 0.041 20 0 BCADHN CC[S@@](=O)CCNC[C@](C)(O)C(F)(F)F ZINC000308929133 631746665 /nfs/dbraw/zinc/74/66/65/631746665.db2.gz QSAIADPVYIBNGW-NZFNHWASSA-N 0 3 247.282 0.658 20 0 BCADHN Cc1c[nH]nc1CN[C@@H](CCO)C1CC1 ZINC000308967224 631773370 /nfs/dbraw/zinc/77/33/70/631773370.db2.gz WPQOFJZFURJRCF-JTQLQIEISA-N 0 3 209.293 0.969 20 0 BCADHN COCC[C@@H](COC)NCc1c[nH]cn1 ZINC000308999874 631785714 /nfs/dbraw/zinc/78/57/14/631785714.db2.gz REMQPFBMMJZBHY-VIFPVBQESA-N 0 3 213.281 0.551 20 0 BCADHN COCC[C@@H](COC)NCc1cnc[nH]1 ZINC000308999874 631785720 /nfs/dbraw/zinc/78/57/20/631785720.db2.gz REMQPFBMMJZBHY-VIFPVBQESA-N 0 3 213.281 0.551 20 0 BCADHN COc1ncc(CN[C@@H]2CCN(C)C2)s1 ZINC000309019275 631800300 /nfs/dbraw/zinc/80/03/00/631800300.db2.gz STECLPHMTDJCFG-MRVPVSSYSA-N 0 3 227.333 0.945 20 0 BCADHN C[S@](=O)CCNC1(C(N)=O)CCCCC1 ZINC000309084962 631872752 /nfs/dbraw/zinc/87/27/52/631872752.db2.gz WBJBYBRVHZJCSJ-HNNXBMFYSA-N 0 3 232.349 0.143 20 0 BCADHN CCOC[C@H](O)CN1CCOC[C@]1(C)C1CC1 ZINC000934481835 631874507 /nfs/dbraw/zinc/87/45/07/631874507.db2.gz LGSPOZILMJEJTD-CHWSQXEVSA-N 0 3 243.347 0.885 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2ccc(C=O)[nH]2)C1 ZINC000176323205 631878281 /nfs/dbraw/zinc/87/82/81/631878281.db2.gz IORMYLSPNCYZHP-JTQLQIEISA-N 0 3 249.314 0.899 20 0 BCADHN Cc1cc(N2C[C@H](C)[C@H](O)C2)nc(N)n1 ZINC000308829834 631884444 /nfs/dbraw/zinc/88/44/44/631884444.db2.gz JAVOZBWYFMTMDG-POYBYMJQSA-N 0 3 208.265 0.184 20 0 BCADHN COC(=O)/C(C)=C\CN(CCO)C1CCC1 ZINC000309109787 631888499 /nfs/dbraw/zinc/88/84/99/631888499.db2.gz AMURIQNJJNSFEW-POHAHGRESA-N 0 3 227.304 0.953 20 0 BCADHN C[C@H](N)c1cn(C[C@](C)(O)C(F)(F)F)nn1 ZINC000309282409 631993977 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/nfs/dbraw/zinc/10/35/03/632103503.db2.gz LOTDLRQOZSVLJT-ZETCQYMHSA-N 0 3 206.236 0.852 20 0 BCADHN CCn1ccc(CNc2ccncc2CO)n1 ZINC000894186436 635742428 /nfs/dbraw/zinc/74/24/28/635742428.db2.gz WYJZRFUUGMGMDC-UHFFFAOYSA-N 0 3 232.287 0.824 20 0 BCADHN COc1ccc(CN2CC[C@](C)(C(N)=O)C2)o1 ZINC000894187307 635744692 /nfs/dbraw/zinc/74/46/92/635744692.db2.gz YAEJDYGLBRHQEU-LBPRGKRZSA-N 0 3 238.287 0.986 20 0 BCADHN C[C@@H](N[C@H]1CCN(C)C1)c1cnnn1C ZINC000924956315 635804432 /nfs/dbraw/zinc/80/44/32/635804432.db2.gz YSALSCCBIIWCSA-BDAKNGLRSA-N 0 3 209.297 0.170 20 0 BCADHN CS[C@@H]1CC[C@H](NC(=O)[C@@H](C)N)C1 ZINC000225531829 632391886 /nfs/dbraw/zinc/39/18/86/632391886.db2.gz PCZFERZCXDYWQN-GJMOJQLCSA-N 0 3 202.323 0.734 20 0 BCADHN Cc1cc(NC[C@H]2COCCO2)nc(N)n1 ZINC000052490301 632422648 /nfs/dbraw/zinc/42/26/48/632422648.db2.gz SOVAQOFNVQVPBS-QMMMGPOBSA-N 0 3 224.264 0.195 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@@H]([C@@H](C)O)C1)N(C)C ZINC000129309212 632425310 /nfs/dbraw/zinc/42/53/10/632425310.db2.gz XYGLHSPGJBQFLN-UTUOFQBUSA-N 0 3 242.363 0.946 20 0 BCADHN CCNCc1nc(C2(N)CCCC2)no1 ZINC000309515524 632434577 /nfs/dbraw/zinc/43/45/77/632434577.db2.gz YNQQLCSQVVLBGS-UHFFFAOYSA-N 0 3 210.281 0.907 20 0 BCADHN Cc1nccn1CCn1cc(CNC(C)C)nn1 ZINC000052576118 632444138 /nfs/dbraw/zinc/44/41/38/632444138.db2.gz ZICQUKQRKPVYOV-UHFFFAOYSA-N 0 3 248.334 0.981 20 0 BCADHN CCCCOCCNC(=O)[C@@H](N)CCOC ZINC000052809586 632497906 /nfs/dbraw/zinc/49/79/06/632497906.db2.gz HMAAMYBHTFGGOS-JTQLQIEISA-N 0 3 232.324 0.283 20 0 BCADHN COCC[C@H](N)C(=O)NCCOCCC(C)C ZINC000052810317 632498220 /nfs/dbraw/zinc/49/82/20/632498220.db2.gz OYRCVFMOLHQIEB-NSHDSACASA-N 0 3 246.351 0.529 20 0 BCADHN COCC[C@H](N)C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000052810341 632498424 /nfs/dbraw/zinc/49/84/24/632498424.db2.gz HGMLBMWUQLAEST-UWVGGRQHSA-N 0 3 244.335 0.376 20 0 BCADHN C[C@H](C1CC1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000782193397 632510933 /nfs/dbraw/zinc/51/09/33/632510933.db2.gz YLZYKHHOGCBHJJ-VXNVDRBHSA-N 0 3 223.276 0.021 20 0 BCADHN Cc1cnc(CCN[C@@H](C)c2cnnn2C)cn1 ZINC000926557311 632520976 /nfs/dbraw/zinc/52/09/76/632520976.db2.gz BAKPPDIJRJENRO-JTQLQIEISA-N 0 3 246.318 0.807 20 0 BCADHN C[C@@H](NCC[S@](C)=O)c1ccnn1C ZINC000235199083 632525158 /nfs/dbraw/zinc/52/51/58/632525158.db2.gz LAHKVVOKNSTNSF-CLAHSXSESA-N 0 3 215.322 0.449 20 0 BCADHN Cn1cnc(CNCC[C@@H]2CCOC2)c1 ZINC000308937355 632528499 /nfs/dbraw/zinc/52/84/99/632528499.db2.gz TWNAHYWNLCBUKQ-SNVBAGLBSA-N 0 3 209.293 0.936 20 0 BCADHN COCCNC(C)(C)C(=O)N1CCCC1 ZINC000309039525 632625145 /nfs/dbraw/zinc/62/51/45/632625145.db2.gz KJRUGVMSWVFCED-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN COC[C@H](NCC1OCCO1)[C@@H]1CCCO1 ZINC000309643998 632610711 /nfs/dbraw/zinc/61/07/11/632610711.db2.gz LPPJQBSQEFGWPT-UWVGGRQHSA-N 0 3 231.292 0.143 20 0 BCADHN C[C@@H]1CN(C(=O)CN(C)CCC2CC2)CCO1 ZINC000179243181 632615903 /nfs/dbraw/zinc/61/59/03/632615903.db2.gz OCGGFNYHIKRSPI-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H]1C[C@H](NCC2(N(C)C)CC2)c2ncnn21 ZINC000926601586 632617592 /nfs/dbraw/zinc/61/75/92/632617592.db2.gz RTKXZEPDAJGYBJ-UWVGGRQHSA-N 0 3 235.335 0.968 20 0 BCADHN CCCn1cc(NC(=O)CNCC)cn1 ZINC000309663515 632628649 /nfs/dbraw/zinc/62/86/49/632628649.db2.gz ZJPLWIJYIMETNV-UHFFFAOYSA-N 0 3 210.281 0.841 20 0 BCADHN CCO[C@@H]1COCC[C@@H]1NCc1c[nH]cn1 ZINC000309673768 632640464 /nfs/dbraw/zinc/64/04/64/632640464.db2.gz XAUMLUGBHVMZGT-WDEREUQCSA-N 0 3 225.292 0.693 20 0 BCADHN CCO[C@@H]1COCC[C@@H]1NCc1cnc[nH]1 ZINC000309673768 632640469 /nfs/dbraw/zinc/64/04/69/632640469.db2.gz XAUMLUGBHVMZGT-WDEREUQCSA-N 0 3 225.292 0.693 20 0 BCADHN COCCN1C[C@H](NC(=O)C2CC2)C(C)(C)C1 ZINC000972724446 632648363 /nfs/dbraw/zinc/64/83/63/632648363.db2.gz CPSGWQTXNVSCPG-NSHDSACASA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H](O)CN1C[C@H](NC(=O)C2CC2)C(C)(C)C1 ZINC000972726479 632648394 /nfs/dbraw/zinc/64/83/94/632648394.db2.gz XHGIHNIQQLYMGN-ONGXEEELSA-N 0 3 240.347 0.604 20 0 BCADHN CC1(C)CN(CCCO)C[C@@H]1NC(=O)C1CC1 ZINC000972730362 632650682 /nfs/dbraw/zinc/65/06/82/632650682.db2.gz ZJJDUOQJLVNDNW-NSHDSACASA-N 0 3 240.347 0.605 20 0 BCADHN Cc1cn[nH]c1CN[C@H](C(N)=O)C(C)(C)C ZINC000309718613 632656046 /nfs/dbraw/zinc/65/60/46/632656046.db2.gz UZXPXWFYESFWSB-SECBINFHSA-N 0 3 224.308 0.708 20 0 BCADHN CCN1C[C@@H](NC(=O)c2ccn[nH]2)C(C)(C)C1 ZINC000972827701 632692290 /nfs/dbraw/zinc/69/22/90/632692290.db2.gz SQFFCJZYAJTMSN-SNVBAGLBSA-N 0 3 236.319 0.870 20 0 BCADHN CCC[C@H](N)c1cn(Cc2cnn(C)n2)nn1 ZINC000310269875 632712650 /nfs/dbraw/zinc/71/26/50/632712650.db2.gz NBGLRFYETSWFHP-VIFPVBQESA-N 0 3 235.295 0.255 20 0 BCADHN C[C@@H](O)CN1CCCC[C@@H]1CNC(=O)C1CC1 ZINC001024301204 632728173 /nfs/dbraw/zinc/72/81/73/632728173.db2.gz VXQZPJRNDBKFFC-ZYHUDNBSSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H](O)CN1CCCC[C@@H]1CNC(=O)C1CC1 ZINC001024301201 632728595 /nfs/dbraw/zinc/72/85/95/632728595.db2.gz VXQZPJRNDBKFFC-CMPLNLGQSA-N 0 3 240.347 0.748 20 0 BCADHN COC(=O)[C@H](NC(=O)[C@@H](N)CC1CC1)C(C)C ZINC000310497318 632751076 /nfs/dbraw/zinc/75/10/76/632751076.db2.gz KWWGMUZXSPCXJQ-VHSXEESVSA-N 0 3 242.319 0.428 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC(=O)[C@@H](N)CC1CC1 ZINC000310517840 632752687 /nfs/dbraw/zinc/75/26/87/632752687.db2.gz SJBPGXJSTRXOED-WPRPVWTQSA-N 0 3 241.335 0.097 20 0 BCADHN CN(C[C@H]1CCCOC1)C(=O)[C@@H](N)CC1CC1 ZINC000310528530 632755930 /nfs/dbraw/zinc/75/59/30/632755930.db2.gz XXIVUPMWCZTFTH-NEPJUHHUSA-N 0 3 240.347 0.999 20 0 BCADHN CN(C[C@@H]1CCCOC1)C(=O)[C@H](N)CC1CC1 ZINC000310528532 632756404 /nfs/dbraw/zinc/75/64/04/632756404.db2.gz XXIVUPMWCZTFTH-NWDGAFQWSA-N 0 3 240.347 0.999 20 0 BCADHN CN1CCC(Nc2nc(N)nc(C3CC3)n2)CC1 ZINC000310626529 632808894 /nfs/dbraw/zinc/80/88/94/632808894.db2.gz KJKVLIUWCYRFNH-UHFFFAOYSA-N 0 3 248.334 0.837 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1NC[C@@H](O)c1ccccc1 ZINC000924550766 632818281 /nfs/dbraw/zinc/81/82/81/632818281.db2.gz KFPIDBGYPONJDX-NEPJUHHUSA-N 0 3 248.326 0.834 20 0 BCADHN CN(CC(=O)Nc1c[nH]nn1)CC(C)(C)C ZINC000935595491 632847223 /nfs/dbraw/zinc/84/72/23/632847223.db2.gz IJOQPZANAGNEGC-UHFFFAOYSA-N 0 3 225.296 0.721 20 0 BCADHN C/C=C/C=C\C(=O)NC[C@@H]1C[C@H](O)CN1C ZINC000924994086 635831928 /nfs/dbraw/zinc/83/19/28/635831928.db2.gz XIAUSGJKCRWRLC-GXCJZKLSSA-N 0 3 224.304 0.300 20 0 BCADHN Cn1cnc(CNCCN2CCCC2)c1 ZINC000236130271 632885299 /nfs/dbraw/zinc/88/52/99/632885299.db2.gz CNMHNPIZTYIJBG-UHFFFAOYSA-N 0 3 208.309 0.606 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1ccc[n+]([O-])c1 ZINC000048411479 635848882 /nfs/dbraw/zinc/84/88/82/635848882.db2.gz WJZUHCXQZCYUJB-GFCCVEGCSA-N 0 3 249.314 0.534 20 0 BCADHN COC(=O)/C(C)=C/CN1CCC[C@@H]1CCO ZINC000309289844 632893256 /nfs/dbraw/zinc/89/32/56/632893256.db2.gz NWZSHDYHQHUVPX-IGLBNKAOSA-N 0 3 227.304 0.953 20 0 BCADHN CC[C@@H](C)N(CC)C(=O)[C@@H](N)CCOC ZINC000052791335 632894927 /nfs/dbraw/zinc/89/49/27/632894927.db2.gz CTACTYDDSDYMJP-ZJUUUORDSA-N 0 3 216.325 0.997 20 0 BCADHN CCN(C(=O)[C@H](N)CCOC)C(C)C ZINC000052791309 632895799 /nfs/dbraw/zinc/89/57/99/632895799.db2.gz CSDOFZBPGJPOTQ-SECBINFHSA-N 0 3 202.298 0.607 20 0 BCADHN CC[C@@H](C)N(CC)C(=O)[C@H](N)CCOC ZINC000052791333 632896010 /nfs/dbraw/zinc/89/60/10/632896010.db2.gz CTACTYDDSDYMJP-NXEZZACHSA-N 0 3 216.325 0.997 20 0 BCADHN CC[C@H](C)N(CC)C(=O)[C@H](N)CCOC ZINC000052791334 632896185 /nfs/dbraw/zinc/89/61/85/632896185.db2.gz CTACTYDDSDYMJP-VHSXEESVSA-N 0 3 216.325 0.997 20 0 BCADHN CCC(C)(C)NC(=O)[C@@H](N)CCOC ZINC000052790621 632896558 /nfs/dbraw/zinc/89/65/58/632896558.db2.gz ASKBDBVEWMILCE-QMMMGPOBSA-N 0 3 202.298 0.655 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCO[C@H](C)C2)[C@@H]1C ZINC000177882596 632897941 /nfs/dbraw/zinc/89/79/41/632897941.db2.gz XXUSKSIXXDLWDE-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CCCN(CCC)C(=O)[C@H](N)CCOC ZINC000052790693 632898540 /nfs/dbraw/zinc/89/85/40/632898540.db2.gz PNCANBKOFCQKJL-SNVBAGLBSA-N 0 3 216.325 0.999 20 0 BCADHN COCC[C@@H](N)C(=O)N(C)CCC(C)C ZINC000052808864 632899908 /nfs/dbraw/zinc/89/99/08/632899908.db2.gz WKZLYXWZOAFEBE-SNVBAGLBSA-N 0 3 216.325 0.855 20 0 BCADHN OC[C@@]12C[C@@H]1CN(CCc1ccccn1)C2 ZINC000782621405 632997703 /nfs/dbraw/zinc/99/77/03/632997703.db2.gz WNKFLJZVRCMAIW-YPMHNXCESA-N 0 3 218.300 0.938 20 0 BCADHN CSC[C@@](C)(O)CNc1nc(C)cc(N)n1 ZINC000892632983 633030790 /nfs/dbraw/zinc/03/07/90/633030790.db2.gz XPAVXMDHSVBHSD-JTQLQIEISA-N 0 3 242.348 0.893 20 0 BCADHN CC[NH+]1CCC(CNc2cc(=O)[n-]cn2)CC1 ZINC000162677395 633034962 /nfs/dbraw/zinc/03/49/62/633034962.db2.gz ICURALHGRKEOLI-UHFFFAOYSA-N 0 3 236.319 0.914 20 0 BCADHN CCN1CCCN(C(=O)[C@H](C)OC)[C@@H](C)C1 ZINC000319891352 635880624 /nfs/dbraw/zinc/88/06/24/635880624.db2.gz XBEDCJAPLAQSFQ-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN O=C1N[C@@H](CN2CCCCC2)C(=O)N1C1CC1 ZINC000925065815 635884348 /nfs/dbraw/zinc/88/43/48/635884348.db2.gz SREHVKYVIGLSNC-JTQLQIEISA-N 0 3 237.303 0.555 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cccnn2)CCN1C ZINC000928428406 635907479 /nfs/dbraw/zinc/90/74/79/635907479.db2.gz XANSJMAWBNYNOP-RKDXNWHRSA-N 0 3 220.276 0.299 20 0 BCADHN CC(C)N1C[C@H](NCc2cnc[nH]2)CC1=O ZINC000164240460 633074595 /nfs/dbraw/zinc/07/45/95/633074595.db2.gz CHYKOUCIWIBIGI-SECBINFHSA-N 0 3 222.292 0.509 20 0 BCADHN CC[C@@H]1COC[C@H]1NC1CN(c2ccncn2)C1 ZINC000926794332 633079824 /nfs/dbraw/zinc/07/98/24/633079824.db2.gz ZEGIMCXXAONLPU-ZYHUDNBSSA-N 0 3 248.330 0.680 20 0 BCADHN C[C@H](O)CN1CCC[C@H](NC(=O)C2CCC2)C1 ZINC001006545492 633081395 /nfs/dbraw/zinc/08/13/95/633081395.db2.gz QBJRNJGHLVIQOL-JQWIXIFHSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H](O)CN1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001006545502 633081789 /nfs/dbraw/zinc/08/17/89/633081789.db2.gz QBJRNJGHLVIQOL-ZYHUDNBSSA-N 0 3 240.347 0.748 20 0 BCADHN O=C1C[C@@H](NCc2cnc[nH]2)CN1C1CC1 ZINC000165186457 633087329 /nfs/dbraw/zinc/08/73/29/633087329.db2.gz QVVRPUVKULREFD-MRVPVSSYSA-N 0 3 220.276 0.263 20 0 BCADHN CCn1nc(C)c(CNc2nccn2C)n1 ZINC000840887754 633088094 /nfs/dbraw/zinc/08/80/94/633088094.db2.gz ORCUFOKMYAKUBL-UHFFFAOYSA-N 0 3 220.280 0.952 20 0 BCADHN Cc1nocc1C(=O)N1CC[C@H](NCCF)C1 ZINC001019318941 633171694 /nfs/dbraw/zinc/17/16/94/633171694.db2.gz ACISVDPLVQXNRT-VIFPVBQESA-N 0 3 241.266 0.757 20 0 BCADHN C[C@H]1[C@H](NC(=O)COCC(F)F)CCN1C ZINC000928428633 635910315 /nfs/dbraw/zinc/91/03/15/635910315.db2.gz NQCIUSMPZPJWPQ-JGVFFNPUSA-N 0 3 236.262 0.477 20 0 BCADHN C=C/C=C/CCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000925076092 635911020 /nfs/dbraw/zinc/91/10/20/635911020.db2.gz TYWOQSBXBNJJOL-PORFMDCZSA-N 0 3 237.303 0.601 20 0 BCADHN Cc1nc[nH]c1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928430286 635913181 /nfs/dbraw/zinc/91/31/81/635913181.db2.gz GCPHWUJPGRPCNY-DTWKUNHWSA-N 0 3 222.292 0.541 20 0 BCADHN C[C@H]1[C@H](NC(=O)CNc2ccccn2)CCN1C ZINC000928431246 635915064 /nfs/dbraw/zinc/91/50/64/635915064.db2.gz MFYXUDLXCUTUPI-WDEREUQCSA-N 0 3 248.330 0.702 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928430368 635915136 /nfs/dbraw/zinc/91/51/36/635915136.db2.gz WIZAECURNSUYNF-TXMZMQIZSA-N 0 3 212.293 0.132 20 0 BCADHN C[C@H](CC[S@@](C)=O)Nc1ccncc1CO ZINC000892721989 633191060 /nfs/dbraw/zinc/19/10/60/633191060.db2.gz VMURNJCRKATRER-JDNHERCYSA-N 0 3 242.344 0.565 20 0 BCADHN C[C@@H]1[C@H](NC(=O)C2CSC2)CCN1C ZINC000928430699 635915988 /nfs/dbraw/zinc/91/59/88/635915988.db2.gz IISJBISJCAELQL-VXNVDRBHSA-N 0 3 214.334 0.558 20 0 BCADHN Cc1c[nH]nc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928432463 635917058 /nfs/dbraw/zinc/91/70/58/635917058.db2.gz JVVFZCKWFQOXAK-RKDXNWHRSA-N 0 3 222.292 0.541 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCN1C ZINC000928432538 635921106 /nfs/dbraw/zinc/92/11/06/635921106.db2.gz QOLLEDCFUOZZPZ-OOCWMUITSA-N 0 3 238.331 0.763 20 0 BCADHN COCC[C@@H](CO)NCc1ccc(F)nc1 ZINC000309634305 633217191 /nfs/dbraw/zinc/21/71/91/633217191.db2.gz IXXGHYDZEOLPKD-JTQLQIEISA-N 0 3 228.267 0.708 20 0 BCADHN Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928434586 635929524 /nfs/dbraw/zinc/92/95/24/635929524.db2.gz AAHLYRWVEOXLKI-KOLCDFICSA-N 0 3 249.314 0.918 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@H](O)c2cccnc2)CCN1C ZINC000928436882 635932201 /nfs/dbraw/zinc/93/22/01/635932201.db2.gz PWOATFVYMLLKCB-USWWRNFRSA-N 0 3 249.314 0.324 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)C(C)(C)CO)CCN1C ZINC000928436049 635932305 /nfs/dbraw/zinc/93/23/05/635932305.db2.gz IJONEVKECDAWHQ-BDAKNGLRSA-N 0 3 214.309 0.214 20 0 BCADHN C[C@H]1[C@H](NC(=O)C(C)(C)CO)CCN1C ZINC000928436050 635932416 /nfs/dbraw/zinc/93/24/16/635932416.db2.gz IJONEVKECDAWHQ-DTWKUNHWSA-N 0 3 214.309 0.214 20 0 BCADHN CCN1CC[C@@H]1CN[C@@H](C)c1cnnn1C ZINC000926857126 633237338 /nfs/dbraw/zinc/23/73/38/633237338.db2.gz BLYAZINXDLSTGO-VHSXEESVSA-N 0 3 223.324 0.560 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N[C@H]2CCN(C)[C@@H]2C)CO1 ZINC000928440305 635938059 /nfs/dbraw/zinc/93/80/59/635938059.db2.gz KHKWCFNWLGUVSK-ZNSHCXBVSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@H]1[C@H](NC(=O)C2(O)CCCCC2)CCN1C ZINC000928441235 635940206 /nfs/dbraw/zinc/94/02/06/635940206.db2.gz PINBUHYNLJREAC-WDEREUQCSA-N 0 3 240.347 0.890 20 0 BCADHN COC[C@@H](NC(=O)[C@@H](N)CC1CC1)C(C)C ZINC000304377544 635941788 /nfs/dbraw/zinc/94/17/88/635941788.db2.gz PXWQIAOVZAQVJI-WDEREUQCSA-N 0 3 228.336 0.901 20 0 BCADHN COC(=O)[C@H](NC(=O)[C@H](N)CC1CC1)C(C)C ZINC000310497316 636006768 /nfs/dbraw/zinc/00/67/68/636006768.db2.gz KWWGMUZXSPCXJQ-NXEZZACHSA-N 0 3 242.319 0.428 20 0 BCADHN C[C@@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1cnccn1 ZINC000894941817 636010220 /nfs/dbraw/zinc/01/02/20/636010220.db2.gz UBVSAGLSMYDGRA-KXUCPTDWSA-N 0 3 234.303 0.781 20 0 BCADHN Cc1cnc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cn1 ZINC000928457524 635997513 /nfs/dbraw/zinc/99/75/13/635997513.db2.gz QDWJBALOKLPJPH-NXEZZACHSA-N 0 3 234.303 0.607 20 0 BCADHN Cc1ccc([C@@H](C)NCC(=O)NC(N)=O)s1 ZINC000049183512 636036395 /nfs/dbraw/zinc/03/63/95/636036395.db2.gz OKJZWIXLAHHUSN-SSDOTTSWSA-N 0 3 241.316 0.902 20 0 BCADHN C[C@H](NCCC[C@H]1CCO1)C1N=NC(=O)N1C ZINC000895173378 636115742 /nfs/dbraw/zinc/11/57/42/636115742.db2.gz XYUONECRTMQDCJ-IUCAKERBSA-N 0 3 240.307 0.740 20 0 BCADHN CCCS(=O)(=O)CCN[C@@H]1CCOC1(C)C 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/nfs/dbraw/zinc/42/68/64/637426864.db2.gz SRJZUPJJRYGMEF-QWRGUYRKSA-N 0 3 234.303 0.573 20 0 BCADHN Cn1cc(Cc2noc([C@@]3(C)CCCN3)n2)cn1 ZINC000904578289 637435371 /nfs/dbraw/zinc/43/53/71/637435371.db2.gz XFSUHVDZGBPKRZ-GFCCVEGCSA-N 0 3 247.302 0.993 20 0 BCADHN N[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2O)CC[C@H]1F ZINC000904938293 637535620 /nfs/dbraw/zinc/53/56/20/637535620.db2.gz IEWYUGKYXJRFPO-KYXWUPHJSA-N 0 3 230.283 0.045 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@@H]1CCN(OC)C1=O ZINC000905004681 637542404 /nfs/dbraw/zinc/54/24/04/637542404.db2.gz QUWQDZRVUQVJKY-XHNCKOQMSA-N 0 3 216.281 0.162 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@H]1CCN(OC)C1=O ZINC000905004676 637542671 /nfs/dbraw/zinc/54/26/71/637542671.db2.gz QUWQDZRVUQVJKY-HLTSFMKQSA-N 0 3 216.281 0.162 20 0 BCADHN Cn1nccc1CNC[C@H](O)C1(O)CCCC1 ZINC000905033180 637554272 /nfs/dbraw/zinc/55/42/72/637554272.db2.gz CYIJMYXPGCFNIU-NSHDSACASA-N 0 3 239.319 0.176 20 0 BCADHN CCC[C@@H](N)c1cn(C2=NOCC2)nn1 ZINC000905061600 637596805 /nfs/dbraw/zinc/59/68/05/637596805.db2.gz INLWJKRYRWUSQL-SSDOTTSWSA-N 0 3 209.253 0.660 20 0 BCADHN CCc1cc(CNC[C@H](O)C2(O)CCC2)n[nH]1 ZINC000905109235 637614824 /nfs/dbraw/zinc/61/48/24/637614824.db2.gz JTKTVBQMMBHFCC-NSHDSACASA-N 0 3 239.319 0.338 20 0 BCADHN CCc1cc(CNC[C@H](O)C2(O)CCC2)[nH]n1 ZINC000905109235 637614831 /nfs/dbraw/zinc/61/48/31/637614831.db2.gz JTKTVBQMMBHFCC-NSHDSACASA-N 0 3 239.319 0.338 20 0 BCADHN Oc1cccc(CNC[C@@H](O)C2(O)CCC2)c1 ZINC000905114826 637619634 /nfs/dbraw/zinc/61/96/34/637619634.db2.gz RJMJKZSSOQMXAR-GFCCVEGCSA-N 0 3 237.299 0.758 20 0 BCADHN CC[C@](O)(CNCC[S@](C)=O)C(F)(F)F ZINC000905098077 637636886 /nfs/dbraw/zinc/63/68/86/637636886.db2.gz PWLNUPONQIAXFT-ZIDLFYJRSA-N 0 3 247.282 0.658 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)NCc2ccccn2)CCN1C ZINC000905147123 637657688 /nfs/dbraw/zinc/65/76/88/637657688.db2.gz DCOKSCDHKIAQII-PWSUYJOCSA-N 0 3 248.330 0.973 20 0 BCADHN CN1CCC[C@H](NC[C@@](C)(O)C(F)F)C1=O ZINC000905149248 637659742 /nfs/dbraw/zinc/65/97/42/637659742.db2.gz RQPYBHZDVXARAY-OIBJUYFYSA-N 0 3 236.262 0.213 20 0 BCADHN COCCCNC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000905149832 637659860 /nfs/dbraw/zinc/65/98/60/637659860.db2.gz UMRXVIHALSFIBI-ZJUUUORDSA-N 0 3 229.324 0.415 20 0 BCADHN CC[C@@H](C)C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001074534820 711443283 /nfs/dbraw/zinc/44/32/83/711443283.db2.gz ALFRIPXWELAXCI-UTLUCORTSA-N 0 3 241.335 0.097 20 0 BCADHN Cn1cncc1CNC[C@@H](O)C1(O)CCCC1 ZINC000905259629 637715810 /nfs/dbraw/zinc/71/58/10/637715810.db2.gz HBYNYUNVVXMRBP-LLVKDONJSA-N 0 3 239.319 0.176 20 0 BCADHN CCN1C[C@@H](NC[C@@](C)(O)C(F)F)CC1=O ZINC000905278453 637735770 /nfs/dbraw/zinc/73/57/70/637735770.db2.gz GGFJXRDGBGQGEL-OIBJUYFYSA-N 0 3 236.262 0.213 20 0 BCADHN NC1(c2noc(CNCC3CC3)n2)CC1 ZINC000905315163 637744112 /nfs/dbraw/zinc/74/41/12/637744112.db2.gz RDCZQQYLSBDCOJ-UHFFFAOYSA-N 0 3 208.265 0.517 20 0 BCADHN N[C@@H](c1nc(C2(N)CC2)no1)C1CCC1 ZINC000905327715 637759411 /nfs/dbraw/zinc/75/94/11/637759411.db2.gz RHGOJPYRPQTGCE-SSDOTTSWSA-N 0 3 208.265 0.817 20 0 BCADHN CC1(C)[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000905354434 637772780 /nfs/dbraw/zinc/77/27/80/637772780.db2.gz QMVFMMBFIPNKFM-QMMMGPOBSA-N 0 3 244.316 0.698 20 0 BCADHN COC[C@H](CO)NC[C@H](O)c1cccc(C)c1 ZINC000905354066 637773375 /nfs/dbraw/zinc/77/33/75/637773375.db2.gz LHDIDSSBLDOWNN-STQMWFEESA-N 0 3 239.315 0.625 20 0 BCADHN CC(C)(F)CNC[C@H](O)C[C@]1(O)CCOC1 ZINC000905397073 637807907 /nfs/dbraw/zinc/80/79/07/637807907.db2.gz DYLSFYHJCZQZPD-MWLCHTKSSA-N 0 3 235.299 0.227 20 0 BCADHN CCOCC[C@@H](O)C[NH2+]Cc1cncc([O-])c1 ZINC000905627685 637862049 /nfs/dbraw/zinc/86/20/49/637862049.db2.gz XFDOYMOKWLFOQE-LLVKDONJSA-N 0 3 240.303 0.664 20 0 BCADHN CCOCC[C@@H](O)CNCc1cncc(O)c1 ZINC000905627685 637862051 /nfs/dbraw/zinc/86/20/51/637862051.db2.gz XFDOYMOKWLFOQE-LLVKDONJSA-N 0 3 240.303 0.664 20 0 BCADHN [O-]c1cncc(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000905627278 637862701 /nfs/dbraw/zinc/86/27/01/637862701.db2.gz UURUGZRUDZHAMO-LLVKDONJSA-N 0 3 208.261 0.648 20 0 BCADHN CC(C)(O)C[C@H](O)CNC/C=C\Cl ZINC000905706163 637890357 /nfs/dbraw/zinc/89/03/57/637890357.db2.gz GGTIYNYPRFDHCE-VEMNSZJBSA-N 0 3 207.701 0.850 20 0 BCADHN O[C@H](CNC/C=C/Cl)C1(O)CCOCC1 ZINC000905706090 637890823 /nfs/dbraw/zinc/89/08/23/637890823.db2.gz DRODRPKLCCRJEW-CITMHJQUSA-N 0 3 235.711 0.231 20 0 BCADHN O[C@@H](CNC/C=C\Cl)C1(O)CCOCC1 ZINC000905706091 637891082 /nfs/dbraw/zinc/89/10/82/637891082.db2.gz DRODRPKLCCRJEW-LVXRCVOFSA-N 0 3 235.711 0.231 20 0 BCADHN O[C@H](CNC/C=C/Cl)C1(O)CCC1 ZINC000905708544 637892639 /nfs/dbraw/zinc/89/26/39/637892639.db2.gz QOKMADBZQWCGNR-IBDUZEINSA-N 0 3 205.685 0.604 20 0 BCADHN COCC1CN(C[C@@H](O)COC(C)C)C1 ZINC000905972538 637987721 /nfs/dbraw/zinc/98/77/21/637987721.db2.gz QPEQCXHBMPEPKZ-LLVKDONJSA-N 0 3 217.309 0.351 20 0 BCADHN COCC1CN(C[C@H](O)CC(C)(C)O)C1 ZINC000905973756 637988213 /nfs/dbraw/zinc/98/82/13/637988213.db2.gz XOWJNSFJAZDETF-SNVBAGLBSA-N 0 3 217.309 0.087 20 0 BCADHN C[C@@H]1CCN1C[C@H](O)CC1(O)CCOCC1 ZINC000905975200 637990293 /nfs/dbraw/zinc/99/02/93/637990293.db2.gz PNWZARBTEATGCU-GHMZBOCLSA-N 0 3 229.320 0.373 20 0 BCADHN CC1(C)CN(C[C@@H](O)C2(O)CCCC2)C1 ZINC000905952818 638001736 /nfs/dbraw/zinc/00/17/36/638001736.db2.gz RHGLBQHFDITCPY-SNVBAGLBSA-N 0 3 213.321 0.994 20 0 BCADHN CCC1(C)CN(C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC000905954705 638003678 /nfs/dbraw/zinc/00/36/78/638003678.db2.gz DPYBJPIMGJAMBQ-DGCLKSJQSA-N 0 3 243.347 0.621 20 0 BCADHN COC[C@@H]1CCN1C[C@@H](O)CCC1(O)CCC1 ZINC000905959268 638007311 /nfs/dbraw/zinc/00/73/11/638007311.db2.gz SCIGTMHELCVGJN-RYUDHWBXSA-N 0 3 243.347 0.763 20 0 BCADHN Cc1nnc(Cc2noc([C@@H]3CCN(C)C3)n2)[nH]1 ZINC000906118996 638061947 /nfs/dbraw/zinc/06/19/47/638061947.db2.gz HWNSSVJIBOEDEQ-MRVPVSSYSA-N 0 3 248.290 0.506 20 0 BCADHN CN1CCCC[C@@H]1CCN1CCCS1(=O)=O ZINC000906500721 638195169 /nfs/dbraw/zinc/19/51/69/638195169.db2.gz MPQVFFCEWCDWNS-LLVKDONJSA-N 0 3 246.376 0.896 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000907282866 638340772 /nfs/dbraw/zinc/34/07/72/638340772.db2.gz GASBRFKDXYJJCM-XVHVLHHCSA-N 0 3 238.331 0.690 20 0 BCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCF ZINC000907451271 638386464 /nfs/dbraw/zinc/38/64/64/638386464.db2.gz BWVFPAWMDBFRII-NSHDSACASA-N 0 3 245.342 0.488 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@H](O)[C@@H](C)C1)N(C)C ZINC000907540028 638397939 /nfs/dbraw/zinc/39/79/39/638397939.db2.gz TVGFYJQAOPNSDA-DCAQKATOSA-N 0 3 228.336 0.556 20 0 BCADHN O=C(CCF)N[C@H](CO)CN1CCCCC1 ZINC000908120408 638572789 /nfs/dbraw/zinc/57/27/89/638572789.db2.gz USGNGTLTFPZOCF-JTQLQIEISA-N 0 3 232.299 0.309 20 0 BCADHN O=C(C=C1CCC1)N[C@H](CO)CN1CCCC1 ZINC000908206285 638609233 /nfs/dbraw/zinc/60/92/33/638609233.db2.gz YVEAHYYMTOAXGL-LBPRGKRZSA-N 0 3 238.331 0.670 20 0 BCADHN CC[C@@H](C(=O)N[C@@]1(C)CCOC1=O)N(C)C ZINC000908298252 638648549 /nfs/dbraw/zinc/64/85/49/638648549.db2.gz ZPABVMGWWSRZHU-KWQFWETISA-N 0 3 228.292 0.148 20 0 BCADHN C/C=C\[C@H](O)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000908348362 638660450 /nfs/dbraw/zinc/66/04/50/638660450.db2.gz NFOCDGJOJCKLDV-UOMVISFLSA-N 0 3 224.304 0.086 20 0 BCADHN Cc1ncc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)n1C ZINC000908349752 638661881 /nfs/dbraw/zinc/66/18/81/638661881.db2.gz TYLMQXNXNFTIQP-CMPLNLGQSA-N 0 3 248.330 0.505 20 0 BCADHN CNc1ncc(C(=O)NOCCN(C)C)s1 ZINC000908527410 638997735 /nfs/dbraw/zinc/99/77/35/638997735.db2.gz DXVUMVOONYWJMH-UHFFFAOYSA-N 0 3 244.320 0.408 20 0 BCADHN CCc1nnc(C(=O)NOCCN(C)C)s1 ZINC000908528629 638999777 /nfs/dbraw/zinc/99/97/77/638999777.db2.gz XDVULBCWTZUQPK-UHFFFAOYSA-N 0 3 244.320 0.324 20 0 BCADHN C[C@@H](O)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908570491 639022026 /nfs/dbraw/zinc/02/20/26/639022026.db2.gz FSEXGRNIJMVLRJ-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)ONC(=O)c1ccnn1CCN(C)C ZINC000908570643 639022061 /nfs/dbraw/zinc/02/20/61/639022061.db2.gz SMZFUVMPXGAPOR-UHFFFAOYSA-N 0 3 240.307 0.515 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@H](O)[C@@H]1C)N(C)C ZINC000908697907 639048950 /nfs/dbraw/zinc/04/89/50/639048950.db2.gz XTIWYBFPEGAECK-DCAQKATOSA-N 0 3 228.336 0.698 20 0 BCADHN C[C@@H](C(=O)Nn1ccnn1)N1[C@H](C)CC[C@@H]1C ZINC000908842830 639078425 /nfs/dbraw/zinc/07/84/25/639078425.db2.gz LVOBLFZDINBGPF-AEJSXWLSSA-N 0 3 237.307 0.610 20 0 BCADHN CC(C)(NC(=O)CN1CCCC1)c1c[nH]nn1 ZINC000909721585 639211523 /nfs/dbraw/zinc/21/15/23/639211523.db2.gz NFINNDJIEFHFPH-UHFFFAOYSA-N 0 3 237.307 0.252 20 0 BCADHN CSCC[C@@H](N)C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000163585427 639217359 /nfs/dbraw/zinc/21/73/59/639217359.db2.gz YSNISQUTKSGJED-LPEHRKFASA-N 0 3 246.376 0.703 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)c1ccn(C)n1)N(C)C ZINC000909927214 639275030 /nfs/dbraw/zinc/27/50/30/639275030.db2.gz WSZUWLCGHXIDAM-ONGXEEELSA-N 0 3 238.335 0.938 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@H]([C@@H](C)O)C1)N(C)C ZINC000129308786 639428199 /nfs/dbraw/zinc/42/81/99/639428199.db2.gz XYGLHSPGJBQFLN-WOPDTQHZSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@H](C(=O)NCc1nccc(C)n1)N(C)C ZINC000910996663 639550021 /nfs/dbraw/zinc/55/00/21/639550021.db2.gz HJVLSDMKZKBKMC-JTQLQIEISA-N 0 3 236.319 0.741 20 0 BCADHN CC[C@@H](C(=O)NC1CC(OC)(OC)C1)N(C)C ZINC000911032060 639568294 /nfs/dbraw/zinc/56/82/94/639568294.db2.gz VYGIQNIDJZHPBC-JTQLQIEISA-N 0 3 244.335 0.594 20 0 BCADHN CCCCCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924839340 639645447 /nfs/dbraw/zinc/64/54/47/639645447.db2.gz KWNSHGCQIRMSAC-SECBINFHSA-N 0 3 227.308 0.659 20 0 BCADHN CCCN(C(=O)CC1COC1)[C@@H]1CCN(C)C1 ZINC000911512421 639661633 /nfs/dbraw/zinc/66/16/33/639661633.db2.gz QVAUQPNBUZMIIK-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CCCO[N-]C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000911553497 639664035 /nfs/dbraw/zinc/66/40/35/639664035.db2.gz YWLACANBFHUYJV-NSHDSACASA-N 0 3 230.308 0.291 20 0 BCADHN CCCO[N-]C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000911553497 639664041 /nfs/dbraw/zinc/66/40/41/639664041.db2.gz YWLACANBFHUYJV-NSHDSACASA-N 0 3 230.308 0.291 20 0 BCADHN 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ZINC000931516898 640247740 /nfs/dbraw/zinc/24/77/40/640247740.db2.gz QWHFBKLTGNWFAJ-SECBINFHSA-N 0 3 221.304 0.793 20 0 BCADHN CNC(=O)CCCN1CCc2nccc(N)c2C1 ZINC000931520030 640249930 /nfs/dbraw/zinc/24/99/30/640249930.db2.gz XGTBXFLYBICKAN-UHFFFAOYSA-N 0 3 248.330 0.548 20 0 BCADHN Nc1ccnc2c1CN(CCC1OCCO1)CC2 ZINC000931518931 640250078 /nfs/dbraw/zinc/25/00/78/640250078.db2.gz OQUUFGTUCOXJSI-UHFFFAOYSA-N 0 3 249.314 0.785 20 0 BCADHN CN(Cc1ccc2cc[nH]c2c1)C[C@H](O)CO ZINC000931565388 640276102 /nfs/dbraw/zinc/27/61/02/640276102.db2.gz UGMIIZLHRYBZKN-LBPRGKRZSA-N 0 3 234.299 0.953 20 0 BCADHN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NC[C@H]1CCCN1C ZINC000912998703 640276631 /nfs/dbraw/zinc/27/66/31/640276631.db2.gz TYBLIZYVQVESJU-WHOHXGKFSA-N 0 3 240.347 0.868 20 0 BCADHN COC1(OC)CCN(CCOC(C)C)C[C@H]1O ZINC000931635023 640299482 /nfs/dbraw/zinc/29/94/82/640299482.db2.gz MLNQQHBCKXLQLE-LLVKDONJSA-N 0 3 247.335 0.467 20 0 BCADHN CN(C[C@H]1C[C@@H](O)C1)C(=O)CN(C)C1CCC1 ZINC000913175673 640318508 /nfs/dbraw/zinc/31/85/08/640318508.db2.gz UCYDQBQQYQIKHT-KLPPZKSPSA-N 0 3 240.347 0.700 20 0 BCADHN C/C(Cl)=C\C(=O)NCCN1CC[C@@H](O)C1 ZINC000913172508 640319402 /nfs/dbraw/zinc/31/94/02/640319402.db2.gz YINQUIYKRRYLAZ-BNICOGTQSA-N 0 3 232.711 0.312 20 0 BCADHN OC[C@@H]1C=CCN1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000931699541 640323375 /nfs/dbraw/zinc/32/33/75/640323375.db2.gz FFTTYYTWWVKDGL-NOOOWODRSA-N 0 3 225.288 0.023 20 0 BCADHN OC[C@@H]1C=CCN1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000931699542 640323640 /nfs/dbraw/zinc/32/36/40/640323640.db2.gz FFTTYYTWWVKDGL-RHYQMDGZSA-N 0 3 225.288 0.023 20 0 BCADHN O[C@@]12C[C@@H]1CN(CCc1ccns1)C2 ZINC000931700766 640324992 /nfs/dbraw/zinc/32/49/92/640324992.db2.gz YLSKAQLYYHFMOK-PSASIEDQSA-N 0 3 210.302 0.752 20 0 BCADHN OC[C@H]1C=CCN1C[C@@H](O)CCC1(O)CCC1 ZINC000931703345 640326327 /nfs/dbraw/zinc/32/63/27/640326327.db2.gz IHWLCYLMSSSUJE-NEPJUHHUSA-N 0 3 241.331 0.275 20 0 BCADHN CC[C@H](CO)N[C@H](C)C(=O)Nc1ncccn1 ZINC000931767009 640358671 /nfs/dbraw/zinc/35/86/71/640358671.db2.gz AGFSMQMAQXZCHK-RKDXNWHRSA-N 0 3 238.291 0.164 20 0 BCADHN CC[C@@H](CO)NCc1c(C)nnn1CC ZINC000931770903 640362474 /nfs/dbraw/zinc/36/24/74/640362474.db2.gz CRLYKKPOSRFJBE-VIFPVBQESA-N 0 3 212.297 0.467 20 0 BCADHN CC(C)C(=O)NCCNCc1c[nH]cn1 ZINC000054763544 640406148 /nfs/dbraw/zinc/40/61/48/640406148.db2.gz NDWQTTYDQDORCW-UHFFFAOYSA-N 0 3 210.281 0.272 20 0 BCADHN CC(C)C(=O)NCCNCc1cnc[nH]1 ZINC000054763544 640406154 /nfs/dbraw/zinc/40/61/54/640406154.db2.gz NDWQTTYDQDORCW-UHFFFAOYSA-N 0 3 210.281 0.272 20 0 BCADHN C[C@H](Cn1ccnc1)NCc1c[nH]cn1 ZINC000054764952 640406405 /nfs/dbraw/zinc/40/64/05/640406405.db2.gz NYBZOVKTDYVMJL-SECBINFHSA-N 0 3 205.265 0.785 20 0 BCADHN O[C@H](CNCc1cnc[nH]1)C(F)(F)F ZINC000163801470 640417719 /nfs/dbraw/zinc/41/77/19/640417719.db2.gz VTRROALJDYEQID-ZCFIWIBFSA-N 0 3 209.171 0.423 20 0 BCADHN CC(C)COC[C@@H](O)CNCc1c[nH]cn1 ZINC000163802214 640419273 /nfs/dbraw/zinc/41/92/73/640419273.db2.gz RMMPNHSIEJEGIC-NSHDSACASA-N 0 3 227.308 0.533 20 0 BCADHN CC(C)COC[C@@H](O)CNCc1cnc[nH]1 ZINC000163802214 640419279 /nfs/dbraw/zinc/41/92/79/640419279.db2.gz RMMPNHSIEJEGIC-NSHDSACASA-N 0 3 227.308 0.533 20 0 BCADHN CCOC[C@@H](C)NCC(=O)N(C)CC ZINC000044723727 640462186 /nfs/dbraw/zinc/46/21/86/640462186.db2.gz RCKUJYLVTWZCCG-SECBINFHSA-N 0 3 202.298 0.479 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCO[C@H](C)CC1 ZINC000932344901 640486146 /nfs/dbraw/zinc/48/61/46/640486146.db2.gz YGBHCOPCCLTYCM-MWLCHTKSSA-N 0 3 215.293 0.437 20 0 BCADHN C[C@H]1CCN(Cc2ccn(C)c(=O)c2)CCO1 ZINC000932349470 640492115 /nfs/dbraw/zinc/49/21/15/640492115.db2.gz FOTXWDSQBBZYCQ-NSHDSACASA-N 0 3 236.315 0.996 20 0 BCADHN OC[C@@H](O)CN[C@H](c1ccccn1)C1CC1 ZINC000932374910 640503299 /nfs/dbraw/zinc/50/32/99/640503299.db2.gz HCGOFKGEDUWJKP-JQWIXIFHSA-N 0 3 222.288 0.476 20 0 BCADHN COCCOC[C@@H](C)NCc1c[nH]cn1 ZINC000164812750 640506766 /nfs/dbraw/zinc/50/67/66/640506766.db2.gz FZLIUIMJGUNPPY-SECBINFHSA-N 0 3 213.281 0.551 20 0 BCADHN COCCOC[C@@H](C)NCc1cnc[nH]1 ZINC000164812750 640506772 /nfs/dbraw/zinc/50/67/72/640506772.db2.gz FZLIUIMJGUNPPY-SECBINFHSA-N 0 3 213.281 0.551 20 0 BCADHN c1nnnn1CCN[C@H](c1ccccn1)C1CC1 ZINC000932385936 640512371 /nfs/dbraw/zinc/51/23/71/640512371.db2.gz MBVAGHJXFPMROG-LBPRGKRZSA-N 0 3 244.302 0.809 20 0 BCADHN OC[C@H](O)CN[C@H](c1ccccn1)C1CC1 ZINC000932385367 640512948 /nfs/dbraw/zinc/51/29/48/640512948.db2.gz HCGOFKGEDUWJKP-PWSUYJOCSA-N 0 3 222.288 0.476 20 0 BCADHN C[C@H](O)CN1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932435700 640527478 /nfs/dbraw/zinc/52/74/78/640527478.db2.gz JECIFIIVDYWNKC-VHSXEESVSA-N 0 3 228.336 0.746 20 0 BCADHN CCN(CCC(N)=O)Cc1cc(C)nnc1C ZINC000932477935 640541838 /nfs/dbraw/zinc/54/18/38/640541838.db2.gz PTHUTMYZOFDHCU-UHFFFAOYSA-N 0 3 236.319 0.791 20 0 BCADHN Cc1nc(NC[C@@H](C)[NH+](C)C)cc(=O)[n-]1 ZINC000165207822 640548786 /nfs/dbraw/zinc/54/87/86/640548786.db2.gz SOPHHUPLERPYIM-SSDOTTSWSA-N 0 3 210.281 0.853 20 0 BCADHN COc1ncc(CN[C@H]2COC[C@@H]2C)c(C)n1 ZINC000932491254 640556950 /nfs/dbraw/zinc/55/69/50/640556950.db2.gz JGAUGDXONSFIJI-KWQFWETISA-N 0 3 237.303 0.918 20 0 BCADHN C[C@@H]1COC[C@@H]1NCC(=O)N1CCC[C@@H](C)C1 ZINC000932497835 640557770 /nfs/dbraw/zinc/55/77/70/640557770.db2.gz MMCICDXJWFSYRP-UTUOFQBUSA-N 0 3 240.347 0.869 20 0 BCADHN CCCCCNC(=O)CN[C@H]1COC[C@H]1C ZINC000932496111 640558569 /nfs/dbraw/zinc/55/85/69/640558569.db2.gz ARSXTRWQMCTPMI-MNOVXSKESA-N 0 3 228.336 0.917 20 0 BCADHN C[NH+](C)[C@@H]1CCCN(c2cc(=O)[n-]cn2)C1 ZINC000165426734 640576066 /nfs/dbraw/zinc/57/60/66/640576066.db2.gz RSUDMRAIDOPRSE-SECBINFHSA-N 0 3 222.292 0.300 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NCc1ncc[nH]1 ZINC000932552264 640576349 /nfs/dbraw/zinc/57/63/49/640576349.db2.gz QDAAJKHWBGBUMD-SNVBAGLBSA-N 0 3 236.319 0.899 20 0 BCADHN CC[N@@H+]1CC[C@]2(NC(=O)c3cnn[n-]3)CCC[C@H]12 ZINC000991574910 640594257 /nfs/dbraw/zinc/59/42/57/640594257.db2.gz ZXGGMUDJJGYJTM-CMPLNLGQSA-N 0 3 249.318 0.551 20 0 BCADHN CC[N@H+]1CC[C@]2(NC(=O)c3cnn[n-]3)CCC[C@H]12 ZINC000991574910 640594265 /nfs/dbraw/zinc/59/42/65/640594265.db2.gz ZXGGMUDJJGYJTM-CMPLNLGQSA-N 0 3 249.318 0.551 20 0 BCADHN CCOC(=O)[C@H]1CCN(CC(OC)OC)C1 ZINC000932640711 640597025 /nfs/dbraw/zinc/59/70/25/640597025.db2.gz CUVPBRDDZUQXGJ-VIFPVBQESA-N 0 3 231.292 0.490 20 0 BCADHN CCOC(=O)[C@@H]1CCN(CCC(C)=O)C1 ZINC000932647690 640599036 /nfs/dbraw/zinc/59/90/36/640599036.db2.gz IJECQOZARBLEFN-SNVBAGLBSA-N 0 3 213.277 0.851 20 0 BCADHN C[C@@H]1C(=O)CCCN1C[C@@H](O)CN(C)C1CC1 ZINC000932848881 640623585 /nfs/dbraw/zinc/62/35/85/640623585.db2.gz MIMLWODENQSTOT-PWSUYJOCSA-N 0 3 240.347 0.495 20 0 BCADHN CCO[C@H]1CCN(CCNC(=O)NC(C)C)C1 ZINC000932969852 640655168 /nfs/dbraw/zinc/65/51/68/640655168.db2.gz CUICSEMCHHDKKF-NSHDSACASA-N 0 3 243.351 0.805 20 0 BCADHN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)N)c1 ZINC000157294359 640660676 /nfs/dbraw/zinc/66/06/76/640660676.db2.gz IEWZCWJHMVRUJG-SFYZADRCSA-N 0 3 238.287 0.925 20 0 BCADHN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)N)c1 ZINC000157294642 640660991 /nfs/dbraw/zinc/66/09/91/640660991.db2.gz IEWZCWJHMVRUJG-YUMQZZPRSA-N 0 3 238.287 0.925 20 0 BCADHN CCO[C@H]1CCN(CCN2CCCC2=O)C1 ZINC000932977855 640662100 /nfs/dbraw/zinc/66/21/00/640662100.db2.gz PXTKHMCZNKGUOJ-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN CC[C@@H]1C(=O)NCCCN1C[C@@H]1CCCO1 ZINC000933223359 640676567 /nfs/dbraw/zinc/67/65/67/640676567.db2.gz UBFLQCKPWOSWAL-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@@H]1C(=O)NCCCN1CC[C@@H](C)O ZINC000933219393 640682003 /nfs/dbraw/zinc/68/20/03/640682003.db2.gz VHGWEBHGQCTWIX-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CNC(=O)CCN1CCOC[C@H]1CC1CC1 ZINC000933214479 640682580 /nfs/dbraw/zinc/68/25/80/640682580.db2.gz XEJUOTDYIKXQFN-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@@H]1C(=O)NCCCN1CC[C@@H](O)C(C)C ZINC000933219547 640684823 /nfs/dbraw/zinc/68/48/23/640684823.db2.gz SDHMGTSPNOUMAF-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H]1C(=O)NCCCN1CCCOC ZINC000933226593 640685702 /nfs/dbraw/zinc/68/57/02/640685702.db2.gz KJZBKBJBKCEXRT-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CC[C@H]1C(=O)NCCCN1C[C@H](C)CO ZINC000933228949 640686863 /nfs/dbraw/zinc/68/68/63/640686863.db2.gz DIEUDKBYIPYBNU-UWVGGRQHSA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NCc1c[nH]cn1 ZINC000933266295 640693688 /nfs/dbraw/zinc/69/36/88/640693688.db2.gz ROPXHNOWEAGUCS-LLVKDONJSA-N 0 3 236.319 0.899 20 0 BCADHN CCC1(CC)CNC(=O)[C@H]1N[C@@H]1CCOC1 ZINC000933286550 640697093 /nfs/dbraw/zinc/69/70/93/640697093.db2.gz PFDSYSWDPDNGLY-NXEZZACHSA-N 0 3 226.320 0.670 20 0 BCADHN CCC1(CC)CNC(=O)[C@@H]1NCCC(=O)NC ZINC000933291424 640698701 /nfs/dbraw/zinc/69/87/01/640698701.db2.gz WLHSIONSXJWFHH-JTQLQIEISA-N 0 3 241.335 0.017 20 0 BCADHN CO[C@H]1C[C@@H](NC(=O)[C@H](C)N)C1(C)C ZINC000225547006 640700147 /nfs/dbraw/zinc/70/01/47/640700147.db2.gz JPDUUEBYKOZYRS-RNJXMRFFSA-N 0 3 200.282 0.263 20 0 BCADHN C[C@H](N)c1cn(Cc2ccncc2)nn1 ZINC000167122679 640701563 /nfs/dbraw/zinc/70/15/63/640701563.db2.gz VIPPLBHTFRPXQA-QMMMGPOBSA-N 0 3 203.249 0.741 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cc(=O)cc[nH]2)CCN1C ZINC000933491432 640720848 /nfs/dbraw/zinc/72/08/48/640720848.db2.gz NCWRWUAUOJUMNR-UWVGGRQHSA-N 0 3 249.314 0.587 20 0 BCADHN CCS(=O)(=O)CCNC[C@@H](O)CC(C)C ZINC000226100206 640731895 /nfs/dbraw/zinc/73/18/95/640731895.db2.gz GRZNFTJAZJIMAP-JTQLQIEISA-N 0 3 237.365 0.418 20 0 BCADHN [NH3+]CCC[N-]C(=O)C(F)(F)C(F)F ZINC000226130735 640734497 /nfs/dbraw/zinc/73/44/97/640734497.db2.gz DXHNGEMCOLLFHS-UHFFFAOYSA-N 0 3 202.151 0.352 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)C/C=C(/C)C(=O)OC ZINC000226202589 640741421 /nfs/dbraw/zinc/74/14/21/640741421.db2.gz QQUPHMMDYZXIBK-MBACFSSFSA-N 0 3 242.319 0.420 20 0 BCADHN CC[C@H](O)CN1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933671671 640741523 /nfs/dbraw/zinc/74/15/23/640741523.db2.gz ZDQNRCDEILFVNN-UPJWGTAASA-N 0 3 243.347 0.885 20 0 BCADHN C[C@H](CO)CN1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933676255 640743232 /nfs/dbraw/zinc/74/32/32/640743232.db2.gz RSQDDQMFKVMDEN-YNEHKIRRSA-N 0 3 243.347 0.742 20 0 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CC1(C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000958599631 644813391 /nfs/dbraw/zinc/81/33/91/644813391.db2.gz VKNDZAQHPQDOBP-ZRUFSTJUSA-N 0 3 238.331 0.071 20 0 BCADHN COc1cccc(CN(C)C[C@H](O)CO)c1 ZINC000096464956 644814595 /nfs/dbraw/zinc/81/45/95/644814595.db2.gz UWWHLPQLJKFSAF-NSHDSACASA-N 0 3 225.288 0.480 20 0 BCADHN COc1ccc(CN(C)C[C@H](O)CO)cc1 ZINC000096464952 644815218 /nfs/dbraw/zinc/81/52/18/644815218.db2.gz FMXMSZIIKXRXLO-NSHDSACASA-N 0 3 225.288 0.480 20 0 BCADHN COCC[C@H](N)C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000251863950 644828926 /nfs/dbraw/zinc/82/89/26/644828926.db2.gz QBMIXJRKEVRJSS-AXFHLTTASA-N 0 3 228.336 0.997 20 0 BCADHN CNC(=S)NCCN1CCN(C)C(C)(C)C1 ZINC000799508792 644831749 /nfs/dbraw/zinc/83/17/49/644831749.db2.gz IQUNGPHCBJWQRS-UHFFFAOYSA-N 0 3 244.408 0.106 20 0 BCADHN COCC[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000252097813 644834536 /nfs/dbraw/zinc/83/45/36/644834536.db2.gz FSZCECKTAXAUFD-MXWKQRLJSA-N 0 3 228.336 0.997 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NC[C@@H]1CCCCO1 ZINC000304317139 644890305 /nfs/dbraw/zinc/89/03/05/644890305.db2.gz FBQCMNSMGIKNCZ-QWRGUYRKSA-N 0 3 226.320 0.799 20 0 BCADHN Cc1nc(CNC(=O)[C@@H](N)CC2CC2)no1 ZINC000304320998 644891702 /nfs/dbraw/zinc/89/17/02/644891702.db2.gz FXDIXKCQTHNNPZ-QMMMGPOBSA-N 0 3 224.264 0.122 20 0 BCADHN CC[C@@H](NC(=O)[C@H](N)CC1CC1)C(=O)OC ZINC000304323961 644891934 /nfs/dbraw/zinc/89/19/34/644891934.db2.gz GKZDYDJDXKJEKZ-RKDXNWHRSA-N 0 3 228.292 0.182 20 0 BCADHN N[C@H](CC1CC1)C(=O)NC[C@@H]1CCCOC1 ZINC000304339182 644893870 /nfs/dbraw/zinc/89/38/70/644893870.db2.gz IQUCYOOFZVATBT-WDEREUQCSA-N 0 3 226.320 0.657 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCc1ccccn1 ZINC000304346028 644895452 /nfs/dbraw/zinc/89/54/52/644895452.db2.gz JTLRYDRXLYQOQV-NSHDSACASA-N 0 3 219.288 0.825 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCC1CCOCC1 ZINC000304374335 644898584 /nfs/dbraw/zinc/89/85/84/644898584.db2.gz PFLOKYMXZFVIGE-LLVKDONJSA-N 0 3 226.320 0.657 20 0 BCADHN CC[C@@H]1COCCN1C(=O)[C@H](N)CC1CC1 ZINC000304389852 644900804 /nfs/dbraw/zinc/90/08/04/644900804.db2.gz SSKZAPKMKKDABC-GHMZBOCLSA-N 0 3 226.320 0.751 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](N)CC2CC2)on1 ZINC000304400626 644903034 /nfs/dbraw/zinc/90/30/34/644903034.db2.gz VUWJRYCLPWMGQR-JTQLQIEISA-N 0 3 223.276 0.727 20 0 BCADHN CN(Cc1cn[nH]c1)C(=O)[C@H](N)CC1CC1 ZINC000304403058 644903281 /nfs/dbraw/zinc/90/32/81/644903281.db2.gz WJKCLLPDAUHIRW-SNVBAGLBSA-N 0 3 222.292 0.496 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)CC1CC1)c1cn[nH]c1 ZINC000304419702 644904437 /nfs/dbraw/zinc/90/44/37/644904437.db2.gz ZMJLYEURKHJHLT-XVKPBYJWSA-N 0 3 222.292 0.714 20 0 BCADHN O[C@@H]1CC[C@@H]2CN(Cc3cnccn3)C[C@H]12 ZINC000252858363 644918382 /nfs/dbraw/zinc/91/83/82/644918382.db2.gz IVFCKKPLOOFFOQ-ADEWGFFLSA-N 0 3 219.288 0.679 20 0 BCADHN COC[C@H](O)CNC[C@@H](OC)C(F)(F)F ZINC000819069333 645003808 /nfs/dbraw/zinc/00/38/08/645003808.db2.gz OKVLFZCWLCKEGK-RNFRBKRXSA-N 0 3 231.214 0.161 20 0 BCADHN CO[C@H](CNC[C@H](C)O)C(F)(F)F ZINC000819067145 645003870 /nfs/dbraw/zinc/00/38/70/645003870.db2.gz GLYXJBCEOXAYHD-NTSWFWBYSA-N 0 3 201.188 0.534 20 0 BCADHN C[C@@H](CNC(=O)c1cc(C=O)n(C)c1)N(C)C ZINC000823615428 645048269 /nfs/dbraw/zinc/04/82/69/645048269.db2.gz KUQGSMBIKSCVMA-VIFPVBQESA-N 0 3 237.303 0.518 20 0 BCADHN CN(Cc1cncnc1)CC1CN(C)C1 ZINC000827125989 645074201 /nfs/dbraw/zinc/07/42/01/645074201.db2.gz VDTOIZSEHPZBRK-UHFFFAOYSA-N 0 3 206.293 0.470 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@@H]2C[C@@H]21 ZINC000828103305 645096726 /nfs/dbraw/zinc/09/67/26/645096726.db2.gz HPLQEDCFFZEDEI-ZJUUUORDSA-N 0 3 211.309 0.788 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NC1COC1 ZINC000828185001 645099189 /nfs/dbraw/zinc/09/91/89/645099189.db2.gz KCYSDOANDKEBAR-SNVBAGLBSA-N 0 3 212.293 0.374 20 0 BCADHN Cc1ccc(N)cc1NC(=O)C[C@@H]1CNCCO1 ZINC000834652757 645149234 /nfs/dbraw/zinc/14/92/34/645149234.db2.gz BNNLVBNXTWFEMF-LLVKDONJSA-N 0 3 249.314 0.894 20 0 BCADHN CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000841856782 645231447 /nfs/dbraw/zinc/23/14/47/645231447.db2.gz PUXUHFAOSYOYKG-LLVKDONJSA-N 0 3 249.314 0.845 20 0 BCADHN CN(C)Cc1ccnc(NC(=O)CN)c1 ZINC000844189129 645316091 /nfs/dbraw/zinc/31/60/91/645316091.db2.gz FZGJGKSEAUDKNX-UHFFFAOYSA-N 0 3 208.265 0.040 20 0 BCADHN C[C@@H](N)C(=O)N1CCC(N(C)CC(F)F)CC1 ZINC000844187095 645317097 /nfs/dbraw/zinc/31/70/97/645317097.db2.gz AQVWDFUBFOCQJE-MRVPVSSYSA-N 0 3 249.305 0.522 20 0 BCADHN CCNCC(=O)Nc1ccc(OC)cn1 ZINC000844189128 645317501 /nfs/dbraw/zinc/31/75/01/645317501.db2.gz FXZJSEZYNRXQJV-UHFFFAOYSA-N 0 3 209.249 0.638 20 0 BCADHN COC(=O)CC1(NCc2cnc[nH]2)CC1 ZINC000844387092 645327549 /nfs/dbraw/zinc/32/75/49/645327549.db2.gz SETXSYMPDIWPFU-UHFFFAOYSA-N 0 3 209.249 0.595 20 0 BCADHN C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cnnn1C ZINC000926647262 645335378 /nfs/dbraw/zinc/33/53/78/645335378.db2.gz SZNFGHAOXIYWDI-SJQPAMGKSA-N 0 3 222.292 0.786 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@@H](CO)CCF ZINC000926655383 645339612 /nfs/dbraw/zinc/33/96/12/645339612.db2.gz MYLIQGGJCGHKST-BDAKNGLRSA-N 0 3 221.272 0.448 20 0 BCADHN COC1(OC)CC[C@H]1N[C@@H](CO)CCF ZINC000926655386 645340124 /nfs/dbraw/zinc/34/01/24/645340124.db2.gz MYLIQGGJCGHKST-RKDXNWHRSA-N 0 3 221.272 0.448 20 0 BCADHN CCn1cc(CN[C@@H]2CN3C[C@@H]2CCC3)nn1 ZINC000926694429 645361704 /nfs/dbraw/zinc/36/17/04/645361704.db2.gz PACUHQUNMRMSHF-CMPLNLGQSA-N 0 3 235.335 0.482 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1NCCO[C@H]1CC1(F)F ZINC000926697920 645364489 /nfs/dbraw/zinc/36/44/89/645364489.db2.gz RMWBADJBXMJYRF-YUMQZZPRSA-N 0 3 248.273 0.525 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CCO[C@@H]1C ZINC000846064988 645390031 /nfs/dbraw/zinc/39/00/31/645390031.db2.gz PJMNUFJVKVXPPS-RKDXNWHRSA-N 0 3 216.281 0.163 20 0 BCADHN CSC1CC(N[C@@H](CO)c2ccnn2C)C1 ZINC000926743530 645396585 /nfs/dbraw/zinc/39/65/85/645396585.db2.gz PPJTXBBXRDMSDL-RTBKNWGFSA-N 0 3 241.360 0.937 20 0 BCADHN O=C1CCCN1CCNCc1ccc(F)nc1 ZINC000846076334 645400161 /nfs/dbraw/zinc/40/01/61/645400161.db2.gz LVAHEIWWFQSFJR-UHFFFAOYSA-N 0 3 237.278 0.933 20 0 BCADHN C[C@H](NCCN(C)CC(F)F)c1cnnn1C ZINC000926776099 645422366 /nfs/dbraw/zinc/42/23/66/645422366.db2.gz NQHLXLQSAAKVMQ-QMMMGPOBSA-N 0 3 247.293 0.663 20 0 BCADHN C[C@@H]1COC[C@@H]1NC1CN(c2ccncn2)C1 ZINC000926792717 645434989 /nfs/dbraw/zinc/43/49/89/645434989.db2.gz CBVTVLRJLCCYTH-KOLCDFICSA-N 0 3 234.303 0.290 20 0 BCADHN C[C@H](N[C@H]1CCC[C@@H]1O)c1cnnn1C ZINC000926792394 645435791 /nfs/dbraw/zinc/43/57/91/645435791.db2.gz MQCQFJKAYBFQNK-NRPADANISA-N 0 3 210.281 0.379 20 0 BCADHN CO[C@H]1C[C@H](CN[C@H](C)c2cnn(C)n2)C1 ZINC000926845629 645452642 /nfs/dbraw/zinc/45/26/42/645452642.db2.gz LTLAIIMUQBRTHP-OPRDCNLKSA-N 0 3 224.308 0.891 20 0 BCADHN COC(=O)[C@@H]1CN(CCOC(F)F)C[C@H]1C ZINC000852202214 645474126 /nfs/dbraw/zinc/47/41/26/645474126.db2.gz AZTBBURFQRTNAK-HTQZYQBOSA-N 0 3 237.246 0.967 20 0 BCADHN C[C@H](N[C@H]1CCN(C)[C@@H]1C)c1cnn(C)n1 ZINC000926887711 645474568 /nfs/dbraw/zinc/47/45/68/645474568.db2.gz BDHBRUDOMYOQEN-AEJSXWLSSA-N 0 3 223.324 0.558 20 0 BCADHN C[C@H](N[C@H]1COC[C@H]1C)c1cnnn1C ZINC000926901747 645484719 /nfs/dbraw/zinc/48/47/19/645484719.db2.gz WVOHELWXTOBTRQ-VGMNWLOBSA-N 0 3 210.281 0.501 20 0 BCADHN C[C@@H](N[C@H]1CCc2nnn(C)c2C1)c1ncc[nH]1 ZINC000927142853 645567243 /nfs/dbraw/zinc/56/72/43/645567243.db2.gz MTJRVOPYOQTAMX-BDAKNGLRSA-N 0 3 246.318 0.746 20 0 BCADHN Cc1ccnc(N2C(=O)N[C@H](CN(C)C)C2=O)c1 ZINC000927215300 645586751 /nfs/dbraw/zinc/58/67/51/645586751.db2.gz CTLCEFKYTJJPBP-SECBINFHSA-N 0 3 248.286 0.376 20 0 BCADHN CC[C@H](C(=O)NC/C=C(\C)C(=O)OC)N(C)C ZINC000927976429 645669160 /nfs/dbraw/zinc/66/91/60/645669160.db2.gz IXEUSYDWIVMGIA-TTZKWOQHSA-N 0 3 242.319 0.562 20 0 BCADHN CO[C@@H]1CN(C)[C@@](C)(COC(C)=O)C1 ZINC000861343156 645691487 /nfs/dbraw/zinc/69/14/87/645691487.db2.gz ZFICJJHSOJGFIH-VHSXEESVSA-N 0 3 201.266 0.659 20 0 BCADHN CC1=NO[C@H](C(=O)N[C@@H]2CCN(C)[C@@H]2C)C1 ZINC000928434381 645738199 /nfs/dbraw/zinc/73/81/99/645738199.db2.gz PNWFJMSAQQIFNY-BBBLOLIVSA-N 0 3 225.292 0.360 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2ncccn2)CCN1C ZINC000928426037 645741340 /nfs/dbraw/zinc/74/13/40/645741340.db2.gz GSPGBRKIXGDKOR-RKDXNWHRSA-N 0 3 220.276 0.299 20 0 BCADHN CCn1cnc(C(=O)N[C@@H]2CCN(C)[C@H]2C)c1 ZINC000928430109 645746626 /nfs/dbraw/zinc/74/66/26/645746626.db2.gz TYXMCFNVXIKPLT-VHSXEESVSA-N 0 3 236.319 0.725 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cn3c(n2)CCC3)CCN1C ZINC000928432131 645747102 /nfs/dbraw/zinc/74/71/02/645747102.db2.gz PHIKLSCJTHKRLL-NXEZZACHSA-N 0 3 248.330 0.652 20 0 BCADHN COC1(C(=O)N[C@H]2CCN(C)[C@@H]2C)CC1 ZINC000928429684 645747109 /nfs/dbraw/zinc/74/71/09/645747109.db2.gz CYNWJBVHIRRINK-BDAKNGLRSA-N 0 3 212.293 0.374 20 0 BCADHN COC1(C(=O)N[C@@H]2CCN(C)[C@H]2C)CC1 ZINC000928429685 645749420 /nfs/dbraw/zinc/74/94/20/645749420.db2.gz CYNWJBVHIRRINK-DTWKUNHWSA-N 0 3 212.293 0.374 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928436987 645758975 /nfs/dbraw/zinc/75/89/75/645758975.db2.gz QATLNDPPYKHGJI-LPEHRKFASA-N 0 3 214.309 0.212 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2cc[nH]c2)CCN1C ZINC000928437287 645759448 /nfs/dbraw/zinc/75/94/48/645759448.db2.gz BTYOCQJVGFVPNB-WPRPVWTQSA-N 0 3 207.277 0.837 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2ccnnc2)CCN1C ZINC000928442074 645760656 /nfs/dbraw/zinc/76/06/56/645760656.db2.gz QRAUQBUPAWRDAY-SCZZXKLOSA-N 0 3 220.276 0.299 20 0 BCADHN CSCC[C@H](O)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928442327 645762710 /nfs/dbraw/zinc/76/27/10/645762710.db2.gz QDMVCZWZGDAWRD-GUBZILKMSA-N 0 3 246.376 0.309 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cnn1 ZINC000928441327 645763533 /nfs/dbraw/zinc/76/35/33/645763533.db2.gz MZEOIKZDWJFNQP-KOLCDFICSA-N 0 3 234.303 0.607 20 0 BCADHN C[C@H]1[C@@H](NC(=O)Cc2cncs2)CCN1C ZINC000928439051 645763828 /nfs/dbraw/zinc/76/38/28/645763828.db2.gz HCHAEUTUPYJTDD-WPRPVWTQSA-N 0 3 239.344 0.894 20 0 BCADHN Cc1cnn(CC(=O)N[C@H]2CCN(C)[C@H]2C)c1 ZINC000928444295 645765695 /nfs/dbraw/zinc/76/56/95/645765695.db2.gz KLTKBERQNSZXPI-QWRGUYRKSA-N 0 3 236.319 0.400 20 0 BCADHN CCn1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cn1 ZINC000928446948 645770575 /nfs/dbraw/zinc/77/05/75/645770575.db2.gz HOZZNXCYIBFKOG-GXSJLCMTSA-N 0 3 236.319 0.725 20 0 BCADHN C[C@@H]1[C@H](NC(=O)C2=CCCCO2)CCN1C ZINC000928448303 645774005 /nfs/dbraw/zinc/77/40/05/645774005.db2.gz MXZWUARJSQSXAK-NXEZZACHSA-N 0 3 224.304 0.890 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)COc2cccnc2)CCN1C ZINC000928447902 645774081 /nfs/dbraw/zinc/77/40/81/645774081.db2.gz LVGQSEIYJCFAEH-PWSUYJOCSA-N 0 3 249.314 0.669 20 0 BCADHN Cc1ncc(C(=O)N[C@@H]2CCN(C)[C@H]2C)[nH]1 ZINC000928449608 645776434 /nfs/dbraw/zinc/77/64/34/645776434.db2.gz RFXACEUJAPLZOG-IONNQARKSA-N 0 3 222.292 0.541 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2ccc[n+]([O-])c2)CCN1C ZINC000928456561 645780107 /nfs/dbraw/zinc/78/01/07/645780107.db2.gz NCTAWVSJKSFDIA-ONGXEEELSA-N 0 3 235.287 0.142 20 0 BCADHN CCc1n[nH]cc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928455559 645780400 /nfs/dbraw/zinc/78/04/00/645780400.db2.gz MXZMMRWMABLKCE-LDYMZIIASA-N 0 3 236.319 0.795 20 0 BCADHN 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/nfs/dbraw/zinc/42/19/24/646421924.db2.gz MCDFFIKMSDLHEX-BDAKNGLRSA-N 0 3 237.307 0.634 20 0 BCADHN COC/C(C)=C/CN1CC[C@H](NC(N)=O)C1 ZINC000930133263 646454325 /nfs/dbraw/zinc/45/43/25/646454325.db2.gz IJEMSNLWGACTBU-RZCNENHTSA-N 0 3 227.308 0.322 20 0 BCADHN NC(=O)N[C@H]1CCN(CCCc2cccnc2)C1 ZINC000930134410 646455136 /nfs/dbraw/zinc/45/51/36/646455136.db2.gz QNOHPDCUMJDRHL-LBPRGKRZSA-N 0 3 248.330 0.757 20 0 BCADHN C[C@@H](CC(N)=O)N1CCOc2ccc(N)cc2C1 ZINC000925750394 646464978 /nfs/dbraw/zinc/46/49/78/646464978.db2.gz RKAYRXRWAURUMF-VIFPVBQESA-N 0 3 249.314 0.727 20 0 BCADHN C[C@@H]1CN(CCO[C@@H]2CCOC2)[C@H](C)CN1C ZINC000930164642 646470039 /nfs/dbraw/zinc/47/00/39/646470039.db2.gz ZNVCFVCJUSNEJF-JHJVBQTASA-N 0 3 242.363 0.816 20 0 BCADHN CCOCCN(C)C[C@@H](O)C1(O)CCCC1 ZINC000930175386 646477646 /nfs/dbraw/zinc/47/76/46/646477646.db2.gz KZWORAZMRKGFSM-LLVKDONJSA-N 0 3 231.336 0.621 20 0 BCADHN CC[C@@H]1C[C@H]1CN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000930174578 646478198 /nfs/dbraw/zinc/47/81/98/646478198.db2.gz VBKUVUWALOMQHO-OUAUKWLOSA-N 0 3 246.376 0.785 20 0 BCADHN CC[S@@](C)(=O)=NC(=O)C(C)S(C)(=O)=O ZINC000925850136 646509167 /nfs/dbraw/zinc/50/91/67/646509167.db2.gz SPVVJBOSAZLIFC-DAZKTRTLSA-N 0 3 241.334 0.064 20 0 BCADHN CC[S@](C)(=O)=NC(=O)C(C)S(C)(=O)=O ZINC000925850137 646510011 /nfs/dbraw/zinc/51/00/11/646510011.db2.gz SPVVJBOSAZLIFC-IYQDAUBNSA-N 0 3 241.334 0.064 20 0 BCADHN COC[C@H](CC(C)C)N[C@H]1CNOC1 ZINC000925867856 646519751 /nfs/dbraw/zinc/51/97/51/646519751.db2.gz LJAJTTHQIALPRH-UWVGGRQHSA-N 0 3 202.298 0.541 20 0 BCADHN CC(C)[C@H]1COCC[C@@H]1NCc1cn(C)nn1 ZINC000926127547 646581163 /nfs/dbraw/zinc/58/11/63/646581163.db2.gz SRWGGOZKKXWJLF-NEPJUHHUSA-N 0 3 238.335 0.966 20 0 BCADHN C[C@H]1COC[C@@H]1NC[C@H](O)C(F)(F)F ZINC000926270796 646610321 /nfs/dbraw/zinc/61/03/21/646610321.db2.gz TYWBIKRTTSODEK-ACZMJKKPSA-N 0 3 213.199 0.534 20 0 BCADHN C[C@H](NCCC1(O)CCC1)c1cnnn1C ZINC000926381124 646629720 /nfs/dbraw/zinc/62/97/20/646629720.db2.gz ZVPLIKSXSSIDBQ-VIFPVBQESA-N 0 3 224.308 0.771 20 0 BCADHN C[C@@H]1C[C@H](NCCN(C)C)c2ncnn21 ZINC000926419221 646633046 /nfs/dbraw/zinc/63/30/46/646633046.db2.gz DPFSFIXPAHZOGK-BDAKNGLRSA-N 0 3 209.297 0.435 20 0 BCADHN C[C@H]1C[C@@H](NCCN(C)C)c2ncnn21 ZINC000926419226 646633127 /nfs/dbraw/zinc/63/31/27/646633127.db2.gz DPFSFIXPAHZOGK-DTWKUNHWSA-N 0 3 209.297 0.435 20 0 BCADHN C[C@H]1COC[C@H](C)C1NCc1cnn(C)n1 ZINC000926423301 646635817 /nfs/dbraw/zinc/63/58/17/646635817.db2.gz ONFHQJQNOOWFSP-IUCAKERBSA-N 0 3 224.308 0.576 20 0 BCADHN C[C@H](NCC(C)(C)OCCO)c1cnnn1C ZINC000926434867 646638553 /nfs/dbraw/zinc/63/85/53/646638553.db2.gz VNYQNQFAWKRVAI-VIFPVBQESA-N 0 3 242.323 0.253 20 0 BCADHN C[C@@H](N[C@@H]1CCO[C@@H]1C)c1cnnn1C ZINC000926475214 646654043 /nfs/dbraw/zinc/65/40/43/646654043.db2.gz SFYCSGXUGJNGSK-IWSPIJDZSA-N 0 3 210.281 0.643 20 0 BCADHN CO[C@@H](CN[C@@H](C)c1cnnn1C)C1CC1 ZINC000926489991 646660976 /nfs/dbraw/zinc/66/09/76/646660976.db2.gz SZHYECXXSNGVQF-KWQFWETISA-N 0 3 224.308 0.891 20 0 BCADHN CC(C)N(Cc1ccoc1)C[C@@H](O)CO ZINC000723763789 711536863 /nfs/dbraw/zinc/53/68/63/711536863.db2.gz YXPFDYQSVHPPJK-LLVKDONJSA-N 0 3 213.277 0.843 20 0 BCADHN COCCNC(=S)N[C@@H]1CCCN(C)C1 ZINC000136150537 711687846 /nfs/dbraw/zinc/68/78/46/711687846.db2.gz HHYJMSDTXJFMDV-SECBINFHSA-N 0 3 231.365 0.191 20 0 BCADHN COC[C@H](C)NC(=S)N[C@H]1CCCN(C)C1 ZINC000136150070 711687972 /nfs/dbraw/zinc/68/79/72/711687972.db2.gz RRQMVBVZDCTFOX-UWVGGRQHSA-N 0 3 245.392 0.580 20 0 BCADHN COC[C@@H](C)NC(=S)N[C@H]1CCN(C)C1 ZINC000136167344 711689001 /nfs/dbraw/zinc/68/90/01/711689001.db2.gz KNCCPBUBWFKUKV-BDAKNGLRSA-N 0 3 231.365 0.190 20 0 BCADHN CC[C@@H](CO)N[C@H](C)C(=O)Nc1nccs1 ZINC000310015723 711702133 /nfs/dbraw/zinc/70/21/33/711702133.db2.gz KVGBNLFSJLCABQ-SFYZADRCSA-N 0 3 243.332 0.831 20 0 BCADHN C[C@@H](NCCN1CCC1)c1cnnn1C ZINC000925604537 711704757 /nfs/dbraw/zinc/70/47/57/711704757.db2.gz LEHLLFRLLCGYDO-SECBINFHSA-N 0 3 209.297 0.171 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H](C(C)(C)O)C1 ZINC000721798165 711770466 /nfs/dbraw/zinc/77/04/66/711770466.db2.gz IOSXRZDRGWNNSJ-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CC[C@@H](C(C)(C)O)C1 ZINC000721830529 711778182 /nfs/dbraw/zinc/77/81/82/711778182.db2.gz CLVOSMUGPYJDTO-VHSXEESVSA-N 0 3 240.347 0.746 20 0 BCADHN Cc1nc(CN2CC[C@H](C(C)(C)O)C2)n[nH]1 ZINC000721868724 711792750 /nfs/dbraw/zinc/79/27/50/711792750.db2.gz ITQCCNRUSWKMQE-VIFPVBQESA-N 0 3 224.308 0.706 20 0 BCADHN CCOC(=O)CCN(C)CC(OC)OC ZINC000160309140 711806483 /nfs/dbraw/zinc/80/64/83/711806483.db2.gz WRDDDBGEHNAUKU-UHFFFAOYSA-N 0 3 219.281 0.490 20 0 BCADHN CCCCN1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001076672717 711807725 /nfs/dbraw/zinc/80/77/25/711807725.db2.gz GSTMDFOWVQWUPW-VXGBXAGGSA-N 0 3 240.347 0.748 20 0 BCADHN CCC(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@H]1O ZINC001076653448 711806988 /nfs/dbraw/zinc/80/69/88/711806988.db2.gz NJTXZXUDQPIBJA-IVZWLZJFSA-N 0 3 232.299 0.306 20 0 BCADHN COC[C@H](CN1C[C@H](CO)OC[C@H]1C)C(C)C ZINC000721963314 711843641 /nfs/dbraw/zinc/84/36/41/711843641.db2.gz HEHYEANVMMDTJZ-FRRDWIJNSA-N 0 3 245.363 0.987 20 0 BCADHN CO[C@@H]([C@H](C)Nc1cc(C)nc(N)n1)C1CC1 ZINC000388376376 711872745 /nfs/dbraw/zinc/87/27/45/711872745.db2.gz ZMESUAMDJQJZNU-KWQFWETISA-N 0 3 236.319 0.845 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)NCCF)CCN1C ZINC000925337206 711889988 /nfs/dbraw/zinc/88/99/88/711889988.db2.gz HZGOCIPEPYJUMQ-SFYZADRCSA-N 0 3 203.261 0.348 20 0 BCADHN C[C@@H]1[C@H](NC(=O)NCCF)CCN1C ZINC000925337200 711890015 /nfs/dbraw/zinc/89/00/15/711890015.db2.gz HZGOCIPEPYJUMQ-HTQZYQBOSA-N 0 3 203.261 0.348 20 0 BCADHN CCCCC[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000705317681 711901409 /nfs/dbraw/zinc/90/14/09/711901409.db2.gz QTQRXZCTNNKZKJ-MNOVXSKESA-N 0 3 229.368 0.960 20 0 BCADHN Cc1ncc(CN2C[C@H](CO)[C@H](CO)C2)s1 ZINC000705357536 711902046 /nfs/dbraw/zinc/90/20/46/711902046.db2.gz BEGMTDKERPXOSG-AOOOYVTPSA-N 0 3 242.344 0.484 20 0 BCADHN CCN1CC(CNC(=O)[C@@H]2C[C@@]23CCOC3)C1 ZINC001032113349 711903103 /nfs/dbraw/zinc/90/31/03/711903103.db2.gz CCDMLHZIWUOZPX-WCQYABFASA-N 0 3 238.331 0.481 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC)N(C)C ZINC001032633331 711930060 /nfs/dbraw/zinc/93/00/60/711930060.db2.gz LPKYLHUYBGQNBK-SRVKXCTJSA-N 0 3 239.363 0.632 20 0 BCADHN Cc1ccc(CNC[C@H]2COCCN2)cn1 ZINC000530182531 711937836 /nfs/dbraw/zinc/93/78/36/711937836.db2.gz VYFPKUSTCZEDSO-LBPRGKRZSA-N 0 3 221.304 0.468 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1CCO[C@H](CCF)C1 ZINC000700558664 711997283 /nfs/dbraw/zinc/99/72/83/711997283.db2.gz JRCPTFBVUHKOFP-GHMZBOCLSA-N 0 3 244.310 0.701 20 0 BCADHN C[C@@H]1CC[C@H](NC(=O)[C@@H](N)CN(C)C)[C@@H](C)C1 ZINC000702339789 712047926 /nfs/dbraw/zinc/04/79/26/712047926.db2.gz GRXCKZOWFPFOFN-RHYQMDGZSA-N 0 3 241.379 0.816 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC1CCC(C)(C)CC1 ZINC000702341461 712045967 /nfs/dbraw/zinc/04/59/67/712045967.db2.gz LUVVOPYMBUMLGD-NSHDSACASA-N 0 3 241.379 0.960 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC1CC(C)(C)C1 ZINC000702397242 712049862 /nfs/dbraw/zinc/04/98/62/712049862.db2.gz LHXWCVQDEHAFCW-VIFPVBQESA-N 0 3 213.325 0.180 20 0 BCADHN CSCC[C@H](C)N(C)C(=O)[C@@H](N)CN(C)C ZINC000702395196 712050400 /nfs/dbraw/zinc/05/04/00/712050400.db2.gz SICOLNFCBPFDNB-UWVGGRQHSA-N 0 3 247.408 0.475 20 0 BCADHN CC(C)CN(C(=O)[C@@H](N)CN(C)C)C(C)C ZINC000702371789 712049097 /nfs/dbraw/zinc/04/90/97/712049097.db2.gz NFLGOJVIZJNHLU-NSHDSACASA-N 0 3 229.368 0.768 20 0 BCADHN Cc1ccc(F)cc1NC(=O)[C@@H](N)CN(C)C ZINC000702374675 712049483 /nfs/dbraw/zinc/04/94/83/712049483.db2.gz DDSDTULYEHYEBA-JTQLQIEISA-N 0 3 239.294 0.962 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccc(F)cc1 ZINC000702407877 712050626 /nfs/dbraw/zinc/05/06/26/712050626.db2.gz HFVVIXFJJPXYSV-JTQLQIEISA-N 0 3 225.267 0.653 20 0 BCADHN Cc1ccc(NC(=O)[C@@H](N)CN(C)C)nc1 ZINC000702408884 712050810 /nfs/dbraw/zinc/05/08/10/712050810.db2.gz MXNGVJQOGBMTQT-VIFPVBQESA-N 0 3 222.292 0.217 20 0 BCADHN COc1cncc(CNC[C@](C)(CO)OC)c1 ZINC000702530957 712054202 /nfs/dbraw/zinc/05/42/02/712054202.db2.gz BJGMAIFNADQAHN-GFCCVEGCSA-N 0 3 240.303 0.577 20 0 BCADHN Cc1cc(N2C[C@@H](C)[C@@](C)(CO)C2)nc(N)n1 ZINC000703663643 712082623 /nfs/dbraw/zinc/08/26/23/712082623.db2.gz UFOZHRQCZBBSCM-PRHODGIISA-N 0 3 236.319 0.822 20 0 BCADHN CC(C)(C)CN(CCO)Cc1ccc(N)nn1 ZINC000703964811 712097533 /nfs/dbraw/zinc/09/75/33/712097533.db2.gz JMCHJNAKLDHXNG-UHFFFAOYSA-N 0 3 238.335 0.899 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@@H](N)CCC(C)C)C1 ZINC000704436919 712107572 /nfs/dbraw/zinc/10/75/72/712107572.db2.gz XUPHPVXZLMFMBO-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN CO[C@@H](CN)C(=O)NCC[C@@H]1CCSC1 ZINC000704814042 712118265 /nfs/dbraw/zinc/11/82/65/712118265.db2.gz SWMJNPJCQGGNOP-BDAKNGLRSA-N 0 3 232.349 0.220 20 0 BCADHN COC1(OC)CCOC[C@H]1NCCC(C)(C)O ZINC000705009539 712121921 /nfs/dbraw/zinc/12/19/21/712121921.db2.gz AXNDXSHOJWOMOX-SNVBAGLBSA-N 0 3 247.335 0.515 20 0 BCADHN CCC1(CNC(=O)[C@@H](N)CN(C)C)CC1 ZINC000705391561 712129780 /nfs/dbraw/zinc/12/97/80/712129780.db2.gz BESATKLMIIWYEH-VIFPVBQESA-N 0 3 213.325 0.182 20 0 BCADHN CCS(=O)(=O)N1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000706274329 712142911 /nfs/dbraw/zinc/14/29/11/712142911.db2.gz FGPRZNUOTVVQBX-PHIMTYICSA-N 0 3 246.376 0.610 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@@H](N)CCC(C)C ZINC000707343607 712168512 /nfs/dbraw/zinc/16/85/12/712168512.db2.gz TYWGPCUNKQBWIK-JTQLQIEISA-N 0 3 244.335 0.771 20 0 BCADHN CCC[C@@H]1CN(C(=O)[C@H](N)CCOC)CCO1 ZINC000709054311 712206700 /nfs/dbraw/zinc/20/67/00/712206700.db2.gz LBERNPZOUFLLCR-GHMZBOCLSA-N 0 3 244.335 0.378 20 0 BCADHN CCC[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000708522434 712211758 /nfs/dbraw/zinc/21/17/58/712211758.db2.gz ROQKWUHLEDCWBY-NEPJUHHUSA-N 0 3 241.379 0.914 20 0 BCADHN CS(=O)(=O)CCNCCc1ccns1 ZINC000709915733 712232838 /nfs/dbraw/zinc/23/28/38/712232838.db2.gz ODFPGDFWZRTZFT-UHFFFAOYSA-N 0 3 234.346 0.320 20 0 BCADHN C[C@H](CC1CCC1)NS(=O)(=O)C1CNC1 ZINC000710305339 712250800 /nfs/dbraw/zinc/25/08/00/712250800.db2.gz QBUJDTSXJKHXHZ-MRVPVSSYSA-N 0 3 232.349 0.456 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCC[C@H](CF)C1 ZINC000711455984 712304782 /nfs/dbraw/zinc/30/47/82/712304782.db2.gz QSKUJWGDWLDECB-MNOVXSKESA-N 0 3 247.310 0.982 20 0 BCADHN Cc1cnc(C(=O)NOCCN(C)C)cn1 ZINC000379156352 712370369 /nfs/dbraw/zinc/37/03/69/712370369.db2.gz KKCGSROYAMKPDJ-UHFFFAOYSA-N 0 3 224.264 0.008 20 0 BCADHN CS(=O)(=O)CCCNCc1ccc(F)nc1 ZINC000381362566 712396241 /nfs/dbraw/zinc/39/62/41/712396241.db2.gz FZBRHDHOFSUGNQ-UHFFFAOYSA-N 0 3 246.307 0.745 20 0 BCADHN O=C(NC[C@H]1CCN1CC1CC1)[C@@H]1CCCO1 ZINC001038041147 712459120 /nfs/dbraw/zinc/45/91/20/712459120.db2.gz QXBXWHNUIIMHPE-NEPJUHHUSA-N 0 3 238.331 0.766 20 0 BCADHN C=C/C=C\CCN1CCN(C)C[C@H]1CO ZINC000713652274 712468270 /nfs/dbraw/zinc/46/82/70/712468270.db2.gz ZVLRXCLJQIFTEX-RXNFCKPNSA-N 0 3 210.321 0.727 20 0 BCADHN CC1(C)CC[C@@H](CNCCS(C)(=O)=O)OC1 ZINC000713605748 712466891 /nfs/dbraw/zinc/46/68/91/712466891.db2.gz IRUAELFVADDYGI-JTQLQIEISA-N 0 3 249.376 0.826 20 0 BCADHN C[C@H](NC[C@H]1COC(C)(C)O1)C(=O)N(C)C ZINC000715065510 712505284 /nfs/dbraw/zinc/50/52/84/712505284.db2.gz IOQMCOHIWMKRRE-IUCAKERBSA-N 0 3 230.308 0.204 20 0 BCADHN CC1(C)OC[C@H](CNCc2c[nH]nn2)O1 ZINC000715108466 712509477 /nfs/dbraw/zinc/50/94/77/712509477.db2.gz RXCLBLXIADIWCS-QMMMGPOBSA-N 0 3 212.253 0.046 20 0 BCADHN c1ncc(CN[C@H]2CCCC23OCCO3)[nH]1 ZINC000715760938 712531827 /nfs/dbraw/zinc/53/18/27/712531827.db2.gz JSKYSJLQWJQNNU-JTQLQIEISA-N 0 3 223.276 0.795 20 0 BCADHN C[C@@H](NCCC[C@H](C)CO)c1cn(C)nn1 ZINC000715879140 712539332 /nfs/dbraw/zinc/53/93/32/712539332.db2.gz SJXMLAYIJQAKIJ-VHSXEESVSA-N 0 3 226.324 0.874 20 0 BCADHN C[C@@H](NCCN1CCCCC1)c1cn(C)nn1 ZINC000715890637 712540229 /nfs/dbraw/zinc/54/02/29/712540229.db2.gz JVYVOFKKZGTGFR-LLVKDONJSA-N 0 3 237.351 0.952 20 0 BCADHN CCCN1CC[C@@H](N[C@@H](C)c2cn(C)nn2)C1 ZINC000715927360 712543237 /nfs/dbraw/zinc/54/32/37/712543237.db2.gz JZVYNOOSJRJOOK-WDEREUQCSA-N 0 3 237.351 0.950 20 0 BCADHN COc1ccccc1CNC[C@@H](O)[C@@H](C)O ZINC000717309477 712646303 /nfs/dbraw/zinc/64/63/03/712646303.db2.gz UJGPWSPRUUJHOP-MWLCHTKSSA-N 0 3 225.288 0.527 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1ccc(F)c(F)c1 ZINC000717352183 712649893 /nfs/dbraw/zinc/64/98/93/712649893.db2.gz GRTFZDRIBPMRPW-RDDDGLTNSA-N 0 3 231.242 0.796 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1ccc(F)c(F)c1 ZINC000717352182 712650079 /nfs/dbraw/zinc/65/00/79/712650079.db2.gz GRTFZDRIBPMRPW-HQJQHLMTSA-N 0 3 231.242 0.796 20 0 BCADHN COc1cc(F)cc(CNC[C@H](O)[C@H](C)O)c1 ZINC000717357014 712650361 /nfs/dbraw/zinc/65/03/61/712650361.db2.gz AFSSKSJVXHEYSU-UFBFGSQYSA-N 0 3 243.278 0.666 20 0 BCADHN Cc1ncccc1CNC[C@@H](O)[C@H](C)O ZINC000717361172 712652294 /nfs/dbraw/zinc/65/22/94/712652294.db2.gz TXGCGSAMMIVJIK-GXSJLCMTSA-N 0 3 210.277 0.221 20 0 BCADHN COc1ccc(CNC[C@@H](O)[C@@H](C)O)cc1F ZINC000717404040 712655783 /nfs/dbraw/zinc/65/57/83/712655783.db2.gz LCZWIYRVVKUKFC-LDYMZIIASA-N 0 3 243.278 0.666 20 0 BCADHN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1ccns1 ZINC000717737823 712669377 /nfs/dbraw/zinc/66/93/77/712669377.db2.gz WFWSSFBHAUHYPE-SSDOTTSWSA-N 0 3 249.361 0.405 20 0 BCADHN CCCOC(=O)NCCN(C)CCOC ZINC000380040617 712684004 /nfs/dbraw/zinc/68/40/04/712684004.db2.gz UGVRLWMOEAXCFB-UHFFFAOYSA-N 0 3 218.297 0.701 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1Cc1ccc(N)nc1 ZINC000384849115 712702948 /nfs/dbraw/zinc/70/29/48/712702948.db2.gz BBTJGFQLAYTKCW-MWLCHTKSSA-N 0 3 221.304 0.839 20 0 BCADHN Cc1cc(N[C@@H]2CCS[C@@H]2C)nc(N)n1 ZINC000380179335 712706250 /nfs/dbraw/zinc/70/62/50/712706250.db2.gz LJFADPNOPLQDRB-HTQZYQBOSA-N 0 3 224.333 0.925 20 0 BCADHN O=S(=O)(NC1CCC=CCC1)C1CNC1 ZINC000718054054 712739594 /nfs/dbraw/zinc/73/95/94/712739594.db2.gz UMNPIPFBXMBSLW-UHFFFAOYSA-N 0 3 230.333 0.376 20 0 BCADHN CS(=O)(=O)CCNCCc1cccnc1 ZINC000037743456 712753985 /nfs/dbraw/zinc/75/39/85/712753985.db2.gz OPDYTHLQGCXJAO-UHFFFAOYSA-N 0 3 228.317 0.258 20 0 BCADHN CCC[C@@H](C)NC(=O)c1c(CN)cnn1C ZINC000719261949 712801892 /nfs/dbraw/zinc/80/18/92/712801892.db2.gz KKGFOCKRXLAUGS-MRVPVSSYSA-N 0 3 224.308 0.797 20 0 BCADHN CC(C)CN(C)C(=O)c1c(CN)cnn1C ZINC000719261888 712802022 /nfs/dbraw/zinc/80/20/22/712802022.db2.gz JRHSJENJTHPNDP-UHFFFAOYSA-N 0 3 224.308 0.607 20 0 BCADHN C[C@@H]1CCN(C(=O)c2c(CN)cnn2C)C1 ZINC000719258359 712802032 /nfs/dbraw/zinc/80/20/32/712802032.db2.gz YKWUQRWRQSLENX-MRVPVSSYSA-N 0 3 222.292 0.361 20 0 BCADHN CCN(CC1CC1)C(=O)c1c(CN)cnn1C ZINC000719245724 712801264 /nfs/dbraw/zinc/80/12/64/712801264.db2.gz RXMRPKLSLRUBDQ-UHFFFAOYSA-N 0 3 236.319 0.751 20 0 BCADHN Cn1ncc(CN)c1C(=O)NCCC1(C)CC1 ZINC000719267994 712802869 /nfs/dbraw/zinc/80/28/69/712802869.db2.gz YTEHQVCRZFDKKU-UHFFFAOYSA-N 0 3 236.319 0.799 20 0 BCADHN C/C=C/CNC(=O)c1c(CN)cnn1C ZINC000719298213 712804182 /nfs/dbraw/zinc/80/41/82/712804182.db2.gz QARQALZVPOHKGO-ONEGZZNKSA-N 0 3 208.265 0.185 20 0 BCADHN COC[C@H](C)NC(=S)N[C@@H]1CCN(C)[C@@H]1C ZINC000719364677 712806255 /nfs/dbraw/zinc/80/62/55/712806255.db2.gz FZIAOEFZZRHPBE-IVZWLZJFSA-N 0 3 245.392 0.578 20 0 BCADHN OC[C@H]1CN(CCc2ccns2)CC[C@@H]1O ZINC000719874379 712824592 /nfs/dbraw/zinc/82/45/92/712824592.db2.gz PXMMKPMOXDKFTJ-KOLCDFICSA-N 0 3 242.344 0.361 20 0 BCADHN C[C@]1(CO)C[C@@H](O)CN1CCc1ccns1 ZINC000719878804 712825080 /nfs/dbraw/zinc/82/50/80/712825080.db2.gz LVRHWDCERUSPBZ-MWLCHTKSSA-N 0 3 242.344 0.503 20 0 BCADHN C[C@]1(CO)C[C@H](O)CN1CCc1ccns1 ZINC000719878798 712825251 /nfs/dbraw/zinc/82/52/51/712825251.db2.gz LVRHWDCERUSPBZ-GXSJLCMTSA-N 0 3 242.344 0.503 20 0 BCADHN NCC(=O)NCCOC(F)(F)C(F)(F)F ZINC000720269814 712830662 /nfs/dbraw/zinc/83/06/62/712830662.db2.gz ZYVJLORBOVCLDA-UHFFFAOYSA-N 0 3 236.140 0.233 20 0 BCADHN Cc1nc(F)ccc1CNCC[S@](C)=O ZINC000380288629 712861696 /nfs/dbraw/zinc/86/16/96/712861696.db2.gz AZNQUQYZHJECNM-HNNXBMFYSA-N 0 3 230.308 0.997 20 0 BCADHN Cc1cc([C@@H](C)N[C@H](C)CC(N)=O)n(C)n1 ZINC000381032577 710597151 /nfs/dbraw/zinc/59/71/51/710597151.db2.gz BZQBJBWBMIBGPH-VXNVDRBHSA-N 0 3 224.308 0.643 20 0 BCADHN Cn1cnc(CNCCC2(C)OCCO2)c1 ZINC000381484622 710643439 /nfs/dbraw/zinc/64/34/39/710643439.db2.gz HJTVBPIAWHMQEE-UHFFFAOYSA-N 0 3 225.292 0.663 20 0 BCADHN C/C=C\C[C@@H](CO)Nc1cc(C)nc(N)n1 ZINC000381568633 710655830 /nfs/dbraw/zinc/65/58/30/710655830.db2.gz UORFUEOSMYBNFQ-TYRPZCRBSA-N 0 3 222.292 0.358 20 0 BCADHN Cc1cc(N[C@@H](CCO)C2CC2)nc(N)n1 ZINC000381588058 710658732 /nfs/dbraw/zinc/65/87/32/710658732.db2.gz CHQFXKADJRHPME-VIFPVBQESA-N 0 3 222.292 0.192 20 0 BCADHN COc1cc(CN[C@H]2CCN(C(C)=O)C2)ccn1 ZINC001018376820 710665296 /nfs/dbraw/zinc/66/52/96/710665296.db2.gz YUHYUJDSJDROSO-LBPRGKRZSA-N 0 3 249.314 0.801 20 0 BCADHN CC(C)CN1CC[C@@H]1CNC(=O)c1ncccn1 ZINC001038828566 710711147 /nfs/dbraw/zinc/71/11/47/710711147.db2.gz BJFCNPWZUHTMQN-LLVKDONJSA-N 0 3 248.330 0.937 20 0 BCADHN C[C@@H]1OCC[C@@H]1NCc1cnc2n1CCOC2 ZINC000722827447 710720908 /nfs/dbraw/zinc/72/09/08/710720908.db2.gz PHUBUVCLVRPFKK-ONGXEEELSA-N 0 3 237.303 0.680 20 0 BCADHN CC(C)[C@@H](O)CNCc1cnc2n1CCOC2 ZINC000722845562 710721855 /nfs/dbraw/zinc/72/18/55/710721855.db2.gz RVDARYMTRMLMAY-NSHDSACASA-N 0 3 239.319 0.520 20 0 BCADHN CO[C@@H]1CCOC[C@H]1NCc1ccn(C)c1 ZINC000724868737 710747795 /nfs/dbraw/zinc/74/77/95/710747795.db2.gz GMIKEZMTLGSPEU-VXGBXAGGSA-N 0 3 224.304 0.919 20 0 BCADHN COCC[C@H](N)C(=O)N1CCC2(CCC2)C1 ZINC000380533988 712901396 /nfs/dbraw/zinc/90/13/96/712901396.db2.gz DEGAJIPDUNJDTB-JTQLQIEISA-N 0 3 226.320 0.753 20 0 BCADHN Cc1ccc(C(=O)NOCCN(C)C)o1 ZINC000382101648 710774638 /nfs/dbraw/zinc/77/46/38/710774638.db2.gz OMJNPFMWLMXHIJ-UHFFFAOYSA-N 0 3 212.249 0.811 20 0 BCADHN Cc1cc(C(=O)NOCCN(C)C)on1 ZINC000382131167 710797916 /nfs/dbraw/zinc/79/79/16/710797916.db2.gz XBEDYVNTXSLTDE-UHFFFAOYSA-N 0 3 213.237 0.206 20 0 BCADHN COCCN1CC[C@](C)(NC(=O)C2CC2)C1 ZINC001046091854 710848277 /nfs/dbraw/zinc/84/82/77/710848277.db2.gz DGYNBDAQBZMTBH-LBPRGKRZSA-N 0 3 226.320 0.623 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2ccnn2C)C1 ZINC001046190156 710855317 /nfs/dbraw/zinc/85/53/17/710855317.db2.gz RWHHJZMHPHNPDZ-LBPRGKRZSA-N 0 3 236.319 0.634 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cncnc2)C1 ZINC001046261892 710857063 /nfs/dbraw/zinc/85/70/63/710857063.db2.gz HPLDIMMPOYDWSL-LBPRGKRZSA-N 0 3 234.303 0.691 20 0 BCADHN COCCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001046542159 710861480 /nfs/dbraw/zinc/86/14/80/710861480.db2.gz WGLVOXZFAJEJHS-WZRBSPASSA-N 0 3 240.347 0.869 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2csnn2)C1 ZINC001046523325 710862325 /nfs/dbraw/zinc/86/23/25/710862325.db2.gz QZPBZQIVNRENKC-SNVBAGLBSA-N 0 3 240.332 0.752 20 0 BCADHN CC(C)C(=O)N[C@H]1CC[C@@H](C)N(CCCO)C1 ZINC001071349930 710868968 /nfs/dbraw/zinc/86/89/68/710868968.db2.gz NMANQWLXMQVVFF-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CN(C(=O)C1CC1)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047273345 710871010 /nfs/dbraw/zinc/87/10/10/710871010.db2.gz NSXYDGIAPLHTBY-RYUDHWBXSA-N 0 3 238.331 0.310 20 0 BCADHN CC(C)[C@H](N)c1cn(Cc2cnn(C)n2)nn1 ZINC000383810324 710945646 /nfs/dbraw/zinc/94/56/46/710945646.db2.gz VHLYIHDMSXEUMT-JTQLQIEISA-N 0 3 235.295 0.111 20 0 BCADHN CCC/C=C\C(=O)NC[C@@H]1CNCCO1 ZINC000383812694 710945837 /nfs/dbraw/zinc/94/58/37/710945837.db2.gz BORBKNYLHQGZAR-LWTINBJPSA-N 0 3 212.293 0.447 20 0 BCADHN CC(=O)N1C[C@H](NCc2cnn(C)c2)[C@@H](C)C1 ZINC001054300976 710925204 /nfs/dbraw/zinc/92/52/04/710925204.db2.gz XCFUIGBZDHBKQM-CABZTGNLSA-N 0 3 236.319 0.377 20 0 BCADHN CCC(=O)N1C[C@@H](C)[C@H](NCCF)C1 ZINC001054309123 710927263 /nfs/dbraw/zinc/92/72/63/710927263.db2.gz TYSAGHQSJHKMAI-RKDXNWHRSA-N 0 3 202.273 0.802 20 0 BCADHN CC(=O)N1C[C@H](NCc2n[nH]c(C)n2)[C@@H](C)C1 ZINC001054303936 710927505 /nfs/dbraw/zinc/92/75/05/710927505.db2.gz UDCUAAUSFDWLIE-XVKPBYJWSA-N 0 3 237.307 0.070 20 0 BCADHN Cc1cc(N[C@@H]2C[C@@H](C)O[C@@H]2C)nc(N)n1 ZINC000384609453 710934869 /nfs/dbraw/zinc/93/48/69/710934869.db2.gz OUKWNHYXQRFUHA-IWSPIJDZSA-N 0 3 222.292 0.597 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@H](NC(C)=O)CC1 ZINC001052130851 710960062 /nfs/dbraw/zinc/96/00/62/710960062.db2.gz DSWXAZCTSLDFBE-GHMZBOCLSA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H](NC(C)=O)CC1 ZINC001052130854 710960105 /nfs/dbraw/zinc/96/01/05/710960105.db2.gz DSWXAZCTSLDFBE-WDEREUQCSA-N 0 3 241.335 0.241 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1CCN(C2CC2)CC1 ZINC000383676775 710985571 /nfs/dbraw/zinc/98/55/71/710985571.db2.gz NLYONHQDJGKLDJ-GFCCVEGCSA-N 0 3 237.347 0.420 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384877306 710999628 /nfs/dbraw/zinc/99/96/28/710999628.db2.gz JFZSVGTUBRXAEJ-DOLQZWNJSA-N 0 3 230.308 0.032 20 0 BCADHN COCC[C@@H](N)C(=O)N(C)[C@H](C)C1(C)CC1 ZINC000385423296 711013683 /nfs/dbraw/zinc/01/36/83/711013683.db2.gz BAFQHZGSTOMKQB-NXEZZACHSA-N 0 3 228.336 0.997 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)Cc1ccc(C#N)cc1 ZINC000386264788 711026610 /nfs/dbraw/zinc/02/66/10/711026610.db2.gz VYTJSNYTSSQENS-UHFFFAOYSA-N 0 3 247.298 0.710 20 0 BCADHN CN(CC(F)F)C(=O)[C@H](N)CC1CC1 ZINC000388891278 711070570 /nfs/dbraw/zinc/07/05/70/711070570.db2.gz LFYHKLRWNCKHRD-SSDOTTSWSA-N 0 3 206.236 0.837 20 0 BCADHN Cc1cc(N[C@@H](C)[C@H]2CCCOC2)nc(N)n1 ZINC000389245114 711074315 /nfs/dbraw/zinc/07/43/15/711074315.db2.gz ALAUZBKZGPVUIW-UWVGGRQHSA-N 0 3 236.319 0.846 20 0 BCADHN CCC1(NC(=O)[C@H](CN)OC)CCOCC1 ZINC000389271101 711074370 /nfs/dbraw/zinc/07/43/70/711074370.db2.gz KVNBIOPCCFZHIA-VIFPVBQESA-N 0 3 230.308 0.036 20 0 BCADHN CON(C)C(=O)CN[C@H](CO)C(C)(C)C ZINC000389867499 711094227 /nfs/dbraw/zinc/09/42/27/711094227.db2.gz HMPZKTMRMLLIJJ-MRVPVSSYSA-N 0 3 218.297 0.003 20 0 BCADHN C[C@H](C[C@H]1COCCN1)N[C@@H](C)C(F)F ZINC000389913975 711097025 /nfs/dbraw/zinc/09/70/25/711097025.db2.gz LQGDDIVEYWXBNA-VGMNWLOBSA-N 0 3 222.279 0.997 20 0 BCADHN C[C@H](C[C@H]1COCCN1)N[C@H](C)C(F)F ZINC000389913970 711097492 /nfs/dbraw/zinc/09/74/92/711097492.db2.gz LQGDDIVEYWXBNA-HLTSFMKQSA-N 0 3 222.279 0.997 20 0 BCADHN Cc1cc(NC[C@H](CO)C(C)C)nc(N)n1 ZINC000390369975 711114189 /nfs/dbraw/zinc/11/41/89/711114189.db2.gz VKAIBDMDTMIGFD-SECBINFHSA-N 0 3 224.308 0.296 20 0 BCADHN C[C@H](C[C@H]1CCOC1)NCc1cnn(C)n1 ZINC000390455459 711117392 /nfs/dbraw/zinc/11/73/92/711117392.db2.gz CODNXQJOZBXYID-NXEZZACHSA-N 0 3 224.308 0.720 20 0 BCADHN CC(C)c1nc(CN[C@H](CO)C2CC2)n[nH]1 ZINC000390540995 711124505 /nfs/dbraw/zinc/12/45/05/711124505.db2.gz LJROWJFQIYPPFO-SECBINFHSA-N 0 3 224.308 0.789 20 0 BCADHN CCNCC(=O)N(C)c1c(C)noc1C ZINC000390795743 711134850 /nfs/dbraw/zinc/13/48/50/711134850.db2.gz QWFKJAKXGNLTCI-UHFFFAOYSA-N 0 3 211.265 0.864 20 0 BCADHN CCN1C[C@H](NCc2cnc[nH]2)CC1=O ZINC000391610019 711139724 /nfs/dbraw/zinc/13/97/24/711139724.db2.gz NFNGOQKJOAVGGT-MRVPVSSYSA-N 0 3 208.265 0.120 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@@H]1CCOC1(C)C ZINC000392895254 711153713 /nfs/dbraw/zinc/15/37/13/711153713.db2.gz CJVDJCASUAWYFH-SNVBAGLBSA-N 0 3 249.376 0.967 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)Cc1ccsc1 ZINC000393479861 711160119 /nfs/dbraw/zinc/16/01/19/711160119.db2.gz CEOCXAPDAONKMF-UHFFFAOYSA-N 0 3 228.317 0.900 20 0 BCADHN CN1CC[C@H](N[C@H]2CCn3ccnc32)C1 ZINC000393536277 711163146 /nfs/dbraw/zinc/16/31/46/711163146.db2.gz XWPNBCOGITWPQF-UWVGGRQHSA-N 0 3 206.293 0.622 20 0 BCADHN Cc1cc(N[C@H]2CS[C@H](C)C2)nc(N)n1 ZINC000398013142 711399972 /nfs/dbraw/zinc/39/99/72/711399972.db2.gz ZOWKTGDMDOVCBP-HTQZYQBOSA-N 0 3 224.333 0.925 20 0 BCADHN CC(C)[C@](C)(CO)NCc1cnccn1 ZINC000398466433 711410489 /nfs/dbraw/zinc/41/04/89/711410489.db2.gz BVICAEWIIRFOSH-NSHDSACASA-N 0 3 209.293 0.973 20 0 BCADHN CCOC(=O)/C=C\CN1CC[C@@H](C(=O)NC)C1 ZINC000398534155 711411961 /nfs/dbraw/zinc/41/19/61/711411961.db2.gz CKLWYQKUVRRWND-UMCURTJPSA-N 0 3 240.303 0.174 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2ccc(N)nc2)C1 ZINC000398556426 711412168 /nfs/dbraw/zinc/41/21/68/711412168.db2.gz GWPRKIRCJCMLRT-JTQLQIEISA-N 0 3 234.303 0.062 20 0 BCADHN CCOC(=O)/C=C/CN1CC[C@@H](C(=O)NC)C1 ZINC000398534153 711412501 /nfs/dbraw/zinc/41/25/01/711412501.db2.gz CKLWYQKUVRRWND-ORAHPGNNSA-N 0 3 240.303 0.174 20 0 BCADHN Cc1cc(N2C[C@@H](C)C[C@H](CO)C2)nc(N)n1 ZINC000398816685 711416246 /nfs/dbraw/zinc/41/62/46/711416246.db2.gz ZVAHVGSCMCOIMG-WPRPVWTQSA-N 0 3 236.319 0.652 20 0 BCADHN CN(CC[S@](C)=O)C[C@@H]1CCC[C@H]1O ZINC000398815400 711416520 /nfs/dbraw/zinc/41/65/20/711416520.db2.gz ALOBMJSKYZMNRV-RBZYPMLTSA-N 0 3 219.350 0.458 20 0 BCADHN CCN(CC)C(=O)CNC(=O)[C@H](N)C1CCC1 ZINC000398998486 711417421 /nfs/dbraw/zinc/41/74/21/711417421.db2.gz BKNVAMGEXGEHTI-LLVKDONJSA-N 0 3 241.335 0.098 20 0 BCADHN CN(CC[S@](C)=O)[C@@H]1CCCC[C@H]1O ZINC000399065899 711417533 /nfs/dbraw/zinc/41/75/33/711417533.db2.gz GVTKMGUEJMXYKR-RULNRJAQSA-N 0 3 219.350 0.600 20 0 BCADHN CO[C@@H](C)CN1CCCO[C@H](CNC(C)=O)C1 ZINC001073503976 711439981 /nfs/dbraw/zinc/43/99/81/711439981.db2.gz SZQKVSFAFZHWCF-CMPLNLGQSA-N 0 3 244.335 0.248 20 0 BCADHN Cc1cc([C@H](C)N[C@H](C)CC(N)=O)n(C)n1 ZINC000381032552 710597171 /nfs/dbraw/zinc/59/71/71/710597171.db2.gz BZQBJBWBMIBGPH-APPZFPTMSA-N 0 3 224.308 0.643 20 0 BCADHN CO[C@H](CNC(=O)[C@H](N)CC1CC1)C(C)C ZINC000381131473 710604372 /nfs/dbraw/zinc/60/43/72/710604372.db2.gz HHVWCEDMISJUJI-GHMZBOCLSA-N 0 3 228.336 0.901 20 0 BCADHN CCOC(=O)[C@@H](NC(=O)CN)C(C)(C)C ZINC000381142041 710604988 /nfs/dbraw/zinc/60/49/88/710604988.db2.gz MVDLAGTXUGBFET-MRVPVSSYSA-N 0 3 216.281 0.039 20 0 BCADHN CCOC[C@@H](O)CNC/C=C(/C)C(=O)OC ZINC000381207296 710609255 /nfs/dbraw/zinc/60/92/55/710609255.db2.gz DAFYKTKXNAWVCO-BSKOKIOFSA-N 0 3 231.292 0.093 20 0 BCADHN CCN1CC[C@H](NC(=O)Cc2cncs2)C1 ZINC001014822888 710612568 /nfs/dbraw/zinc/61/25/68/710612568.db2.gz VPHWIOKNFMSFGP-VIFPVBQESA-N 0 3 239.344 0.896 20 0 BCADHN CC[N@@H+]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001014875698 710613441 /nfs/dbraw/zinc/61/34/41/710613441.db2.gz ZLDIQXOLPACUKA-MRVPVSSYSA-N 0 3 236.275 0.006 20 0 BCADHN CC[N@H+]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001014875698 710613444 /nfs/dbraw/zinc/61/34/44/710613444.db2.gz ZLDIQXOLPACUKA-MRVPVSSYSA-N 0 3 236.275 0.006 20 0 BCADHN CCN(C)C(=O)CNC(C)(C)CC(=O)OC ZINC000381311435 710620500 /nfs/dbraw/zinc/62/05/00/710620500.db2.gz LPXFIRWLZLFIEI-UHFFFAOYSA-N 0 3 230.308 0.396 20 0 BCADHN Cc1cc(N[C@@H](CO)CC2CC2)nc(N)n1 ZINC000381627752 710663829 /nfs/dbraw/zinc/66/38/29/710663829.db2.gz LVZBXDCHTKYMFD-SECBINFHSA-N 0 3 222.292 0.192 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cn[nH]c2)C1 ZINC001046161724 710852282 /nfs/dbraw/zinc/85/22/82/710852282.db2.gz AXDUVCDLNZEDJO-LLVKDONJSA-N 0 3 222.292 0.624 20 0 BCADHN CC1(C)C[C@H]1C(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001046251033 710856000 /nfs/dbraw/zinc/85/60/00/710856000.db2.gz IWXBSEKDIJTNTB-GWCFXTLKSA-N 0 3 240.347 0.605 20 0 BCADHN CON(C)C(=O)CN[C@@H](C)[C@@H]1CCCO1 ZINC000389975821 711102231 /nfs/dbraw/zinc/10/22/31/711102231.db2.gz FLXMEULTZRLICJ-IUCAKERBSA-N 0 3 216.281 0.163 20 0 BCADHN COC(OC)[C@@H](C)NCc1ccc(=O)[nH]c1 ZINC000392680015 711150172 /nfs/dbraw/zinc/15/01/72/711150172.db2.gz RVQHRUIHZZYEDC-MRVPVSSYSA-N 0 3 226.276 0.884 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCc1cc[nH]c(=O)c1 ZINC000392664635 711150430 /nfs/dbraw/zinc/15/04/30/711150430.db2.gz CPMPIXLRPHIBNZ-MRVPVSSYSA-N 0 3 244.316 0.310 20 0 BCADHN CCn1nc(C)cc1C(=O)NOCCN(C)C ZINC000393313519 711156183 /nfs/dbraw/zinc/15/61/83/711156183.db2.gz UQVCPSBUXXPOCY-UHFFFAOYSA-N 0 3 240.307 0.434 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@H]1COC(C)(C)C1 ZINC000396789735 711370546 /nfs/dbraw/zinc/37/05/46/711370546.db2.gz QOKAVLURHCSEOW-SNVBAGLBSA-N 0 3 249.376 0.967 20 0 BCADHN CCOC(CN1CC[C@@H](O)[C@@H](CO)C1)OCC ZINC000396918059 711372824 /nfs/dbraw/zinc/37/28/24/711372824.db2.gz QLOAYRZEDSMKLI-GHMZBOCLSA-N 0 3 247.335 0.061 20 0 BCADHN CCOC(CN1CC[C@H](O)[C@@H](CO)C1)OCC ZINC000396918063 711373408 /nfs/dbraw/zinc/37/34/08/711373408.db2.gz QLOAYRZEDSMKLI-MNOVXSKESA-N 0 3 247.335 0.061 20 0 BCADHN CC[C@@H](COC)NCC(=O)N(C)OC ZINC000397466698 711382511 /nfs/dbraw/zinc/38/25/11/711382511.db2.gz LPEQMATWYOSACX-QMMMGPOBSA-N 0 3 204.270 0.021 20 0 BCADHN CO[C@@H](C)[C@H](C)NCC(=O)N(C)OC ZINC000397469923 711382459 /nfs/dbraw/zinc/38/24/59/711382459.db2.gz UTSUXKZTJDNIAE-YUMQZZPRSA-N 0 3 204.270 0.019 20 0 BCADHN COC[C@H](NC(=O)[C@H](N)CC1CC1)C1CC1 ZINC000397413504 711382753 /nfs/dbraw/zinc/38/27/53/711382753.db2.gz RUEMOCPAGIQIDT-MNOVXSKESA-N 0 3 226.320 0.655 20 0 BCADHN CON(C)C(=O)CN[C@@H]1COC(C)(C)C1 ZINC000397468621 711383853 /nfs/dbraw/zinc/38/38/53/711383853.db2.gz QPHGBTCFUVDAJB-QMMMGPOBSA-N 0 3 216.281 0.163 20 0 BCADHN CON(C)C(=O)CN[C@@H]1CCOC1(C)C ZINC000397539481 711386935 /nfs/dbraw/zinc/38/69/35/711386935.db2.gz UFYWNPQCLDQKNR-MRVPVSSYSA-N 0 3 216.281 0.163 20 0 BCADHN Cc1cc(NCC[C@H](C)CCO)nc(N)n1 ZINC000397797257 711391320 /nfs/dbraw/zinc/39/13/20/711391320.db2.gz DBZHZLPKEVRTEB-QMMMGPOBSA-N 0 3 224.308 0.440 20 0 BCADHN N[C@H](C(=O)NC[C@H](O)c1ccccc1)C1CCC1 ZINC000399226612 711423843 /nfs/dbraw/zinc/42/38/43/711423843.db2.gz NHLAWAKDOXEOKN-STQMWFEESA-N 0 3 248.326 0.964 20 0 BCADHN CC(C)n1cc(CN[C@@H]2CCN(C)C2)nn1 ZINC000382570198 711452835 /nfs/dbraw/zinc/45/28/35/711452835.db2.gz QRRCTFUIRUNIHS-SNVBAGLBSA-N 0 3 223.324 0.653 20 0 BCADHN C[C@@H]1CCCN(CCS(N)(=O)=O)C1 ZINC000307549790 711483609 /nfs/dbraw/zinc/48/36/09/711483609.db2.gz ODWBERYBOYXGKA-MRVPVSSYSA-N 0 3 206.311 0.007 20 0 BCADHN CO[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000717408826 711490512 /nfs/dbraw/zinc/49/05/12/711490512.db2.gz LAMLIRWTJDZPRQ-AXFHLTTASA-N 0 3 226.320 0.716 20 0 BCADHN CCS(=O)(=O)CCNC[C@H](OC)C1CC1 ZINC000393495240 711539086 /nfs/dbraw/zinc/53/90/86/711539086.db2.gz XCNXJRYWQVNFHM-JTQLQIEISA-N 0 3 235.349 0.436 20 0 BCADHN CO[C@H](C)[C@@H](C)NCCS(=O)(=O)C(C)C ZINC000309122800 711591914 /nfs/dbraw/zinc/59/19/14/711591914.db2.gz UYTLOMMITMPAKN-NXEZZACHSA-N 0 3 237.365 0.823 20 0 BCADHN Cc1ncccc1CNC[C@H](O)[C@@H](C)O ZINC000717361173 711596440 /nfs/dbraw/zinc/59/64/40/711596440.db2.gz TXGCGSAMMIVJIK-KOLCDFICSA-N 0 3 210.277 0.221 20 0 BCADHN CCn1cc(CN[C@@H]2CC23CC(O)C3)cn1 ZINC000724950532 711633425 /nfs/dbraw/zinc/63/34/25/711633425.db2.gz BNVWUZWENARJNT-MOENNCHZSA-N 0 3 221.304 0.906 20 0 BCADHN Cc1cc(N2C[C@@H]3C[C@]3(CO)C2)nc(N)n1 ZINC000309308163 711673613 /nfs/dbraw/zinc/67/36/13/711673613.db2.gz WGGRRTJIRSPRRK-GZMMTYOYSA-N 0 3 220.276 0.186 20 0 BCADHN CCSCCNCC(=O)N(C)OC ZINC000397520083 711705879 /nfs/dbraw/zinc/70/58/79/711705879.db2.gz HDXQIUAYGOFBRF-UHFFFAOYSA-N 0 3 206.311 0.349 20 0 BCADHN CN1CCN(CCc2ccccc2)[C@H](CO)C1 ZINC000211353588 711715869 /nfs/dbraw/zinc/71/58/69/711715869.db2.gz ZFNQVRZZDLWRRH-AWEZNQCLSA-N 0 3 234.343 0.837 20 0 BCADHN OCc1cnccc1N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125165459 711717520 /nfs/dbraw/zinc/71/75/20/711717520.db2.gz RYSOMZOLTIPBLZ-NDMJEZRESA-N 0 3 234.299 0.781 20 0 BCADHN OCc1cnccc1N1C[C@@H](O)CC(F)(F)C1 ZINC000893420065 711721503 /nfs/dbraw/zinc/72/15/03/711721503.db2.gz CCVOEBJVNUIWDF-VIFPVBQESA-N 0 3 244.241 0.780 20 0 BCADHN CCN1CCCN(c2ccncc2CO)CC1=O ZINC000893419593 711721879 /nfs/dbraw/zinc/72/18/79/711721879.db2.gz FLWLBCMTSDIVPO-UHFFFAOYSA-N 0 3 249.314 0.633 20 0 BCADHN O=C(NC[C@@H]1CCCN1CCO)C1=CCCC1 ZINC001027827709 711736841 /nfs/dbraw/zinc/73/68/41/711736841.db2.gz XLTJOBGOONQCLZ-LBPRGKRZSA-N 0 3 238.331 0.670 20 0 BCADHN CCN1C[C@@H]2CCN(C(=O)c3cocn3)[C@@H]2C1 ZINC001075614742 711760251 /nfs/dbraw/zinc/76/02/51/711760251.db2.gz GRLAQQYHJYUIOL-GXSJLCMTSA-N 0 3 235.287 0.841 20 0 BCADHN C[C@@H](F)CCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924898062 711765315 /nfs/dbraw/zinc/76/53/15/711765315.db2.gz SVOVXDJWSZHXKV-HTQZYQBOSA-N 0 3 231.271 0.217 20 0 BCADHN C[C@H](F)CCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924898063 711765351 /nfs/dbraw/zinc/76/53/51/711765351.db2.gz SVOVXDJWSZHXKV-JGVFFNPUSA-N 0 3 231.271 0.217 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](C(C)(C)O)C1 ZINC000721798164 711770564 /nfs/dbraw/zinc/77/05/64/711770564.db2.gz IOSXRZDRGWNNSJ-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cnc3n2CCC3)CCN1C ZINC000928429559 711771904 /nfs/dbraw/zinc/77/19/04/711771904.db2.gz RDELGIHMIJHTFT-NXEZZACHSA-N 0 3 248.330 0.652 20 0 BCADHN CCC(CC)(CO)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928429413 711771975 /nfs/dbraw/zinc/77/19/75/711771975.db2.gz CBXPAAOVXGRPFU-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2ccn(C)n2)CCN1C ZINC000928448370 711772640 /nfs/dbraw/zinc/77/26/40/711772640.db2.gz NWNDOEDVIAQULJ-BDAKNGLRSA-N 0 3 222.292 0.243 20 0 BCADHN CC[C@H](CO)N1CCN(C2CCC2)CC1 ZINC000178997204 711776638 /nfs/dbraw/zinc/77/66/38/711776638.db2.gz GKTVFODBWQFKKB-LLVKDONJSA-N 0 3 212.337 0.927 20 0 BCADHN COC[C@@H](C)CN[C@@H](C)C1N=NC(=O)N1C ZINC000895175517 711779563 /nfs/dbraw/zinc/77/95/63/711779563.db2.gz MTZOYVSPYXRDQU-YUMQZZPRSA-N 0 3 228.296 0.454 20 0 BCADHN Cc1cc(NC2CC(CCO)C2)nc(N)n1 ZINC000897232224 711785288 /nfs/dbraw/zinc/78/52/88/711785288.db2.gz PAROVXCENZMWHM-UHFFFAOYSA-N 0 3 222.292 0.940 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@@H](O)CC(C)(C)C ZINC000226113800 711789346 /nfs/dbraw/zinc/78/93/46/711789346.db2.gz QCACMERVBKAFAV-UWVGGRQHSA-N 0 3 246.351 0.264 20 0 BCADHN CCNC(=O)CN1CC[C@@H](C(C)(C)O)C1 ZINC000721863029 711791941 /nfs/dbraw/zinc/79/19/41/711791941.db2.gz NABSCICFFXLLAP-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@H]1[C@@H](NC(=O)N2CCC(O)CC2)CCN1C ZINC000925313007 711798035 /nfs/dbraw/zinc/79/80/35/711798035.db2.gz KQYPJMLNOGHFNB-ONGXEEELSA-N 0 3 241.335 0.245 20 0 BCADHN C[C@@H]1[C@H](NC(=O)N2CCC(O)CC2)CCN1C ZINC000925313006 711798044 /nfs/dbraw/zinc/79/80/44/711798044.db2.gz KQYPJMLNOGHFNB-MWLCHTKSSA-N 0 3 241.335 0.245 20 0 BCADHN COC(=O)/C(C)=C\CN1CC[C@](C)(O)C1 ZINC000379660022 711806689 /nfs/dbraw/zinc/80/66/89/711806689.db2.gz MADOEMIMUSMSGE-NJHLSQGMSA-N 0 3 213.277 0.562 20 0 BCADHN CC(=O)N[C@@H]1CN(CC2=CCCCC2)C[C@H]1O ZINC001076655662 711806738 /nfs/dbraw/zinc/80/67/38/711806738.db2.gz NRNHBQHKDVSOOU-CHWSQXEVSA-N 0 3 238.331 0.668 20 0 BCADHN CC(=O)N[C@@H]1CN([C@@H](C)c2ccccc2)C[C@H]1O ZINC001076657110 711807182 /nfs/dbraw/zinc/80/71/82/711807182.db2.gz WTHFNAASRKHNLK-ZLKJLUDKSA-N 0 3 248.326 0.929 20 0 BCADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C1 ZINC001076670447 711807551 /nfs/dbraw/zinc/80/75/51/711807551.db2.gz JRZKYDUGLQOYOD-NXEZZACHSA-N 0 3 246.326 0.552 20 0 BCADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001076666381 711807616 /nfs/dbraw/zinc/80/76/16/711807616.db2.gz VGMIEXJCPMRVMZ-GHMZBOCLSA-N 0 3 226.320 0.356 20 0 BCADHN CCCN1C[C@@H](O)[C@H](NC(=O)C=C2CCC2)C1 ZINC001076865950 711809630 /nfs/dbraw/zinc/80/96/30/711809630.db2.gz CLEDRSUQMGGQOB-VXGBXAGGSA-N 0 3 238.331 0.668 20 0 BCADHN CCC[C@@H]1C[C@H]1N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924787003 711810108 /nfs/dbraw/zinc/81/01/08/711810108.db2.gz CJUOHOBLJWXLHV-OPRDCNLKSA-N 0 3 239.319 0.657 20 0 BCADHN CSCC[C@@H](N)C(=O)NC[C@@H](O)CC(C)C ZINC000161465257 711811798 /nfs/dbraw/zinc/81/17/98/711811798.db2.gz MDXMMCTYICQTNP-VHSXEESVSA-N 0 3 248.392 0.590 20 0 BCADHN C[C@H]1NC(=O)N([C@H]2C[C@H](C)N(C3CC3)C2)C1=O ZINC000348959454 711821578 /nfs/dbraw/zinc/82/15/78/711821578.db2.gz JGANBTCYGRJDKB-XKSSXDPKSA-N 0 3 237.303 0.552 20 0 BCADHN CN1CCC[C@H]1C(=O)NC1CN(CC2CC2)C1 ZINC001030155939 711827114 /nfs/dbraw/zinc/82/71/14/711827114.db2.gz RRIUEOAPKVPEHU-LBPRGKRZSA-N 0 3 237.347 0.291 20 0 BCADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001077527980 711861001 /nfs/dbraw/zinc/86/10/01/711861001.db2.gz WNHWSBMSVZXQHZ-UKKRHICBSA-N 0 3 226.320 0.214 20 0 BCADHN CCC(=O)N[C@H]1CCCN(CCO)[C@H]1C ZINC000992930314 711861830 /nfs/dbraw/zinc/86/18/30/711861830.db2.gz XSCKJBHXLNAJRO-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN CC(C)N1CC[C@@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001015612620 711869182 /nfs/dbraw/zinc/86/91/82/711869182.db2.gz QASCWUMLLYLOBL-ZYHUDNBSSA-N 0 3 244.310 0.714 20 0 BCADHN Cc1nccc(C(=O)N[C@@H]2CCN(C(C)C)C2)n1 ZINC000070855430 711897468 /nfs/dbraw/zinc/89/74/68/711897468.db2.gz FRKYOKQVCXSJFE-LLVKDONJSA-N 0 3 248.330 0.998 20 0 BCADHN CC(=O)N1C[C@H](C)[C@H](NCc2ccnn2C)C1 ZINC001054300493 711945715 /nfs/dbraw/zinc/94/57/15/711945715.db2.gz GKGJHBKDVWFSLL-JOYOIKCWSA-N 0 3 236.319 0.377 20 0 BCADHN Cc1cc(C(=O)NC[C@H]2CCN2CC2CC2)[nH]n1 ZINC001038090528 711959278 /nfs/dbraw/zinc/95/92/78/711959278.db2.gz OXWCHNYCYILQNG-LLVKDONJSA-N 0 3 248.330 0.932 20 0 BCADHN CC(C)CN1CC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001038092206 711961156 /nfs/dbraw/zinc/96/11/56/711961156.db2.gz KOMUJNJJPHHNMW-NEPJUHHUSA-N 0 3 240.347 0.869 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2cnccn2)C1 ZINC001032876782 711965889 /nfs/dbraw/zinc/96/58/89/711965889.db2.gz QNJWVHWHVYBRQD-JTQLQIEISA-N 0 3 234.303 0.643 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)C2=COCCO2)C1 ZINC001032885422 711966240 /nfs/dbraw/zinc/96/62/40/711966240.db2.gz PJJNEUMZRHRZLC-JTQLQIEISA-N 0 3 240.303 0.427 20 0 BCADHN CC1CC(C(=O)N(C)[C@@H]2CCN(CCO)C2)C1 ZINC001032991995 711971153 /nfs/dbraw/zinc/97/11/53/711971153.db2.gz JBYGDARQEPLYBJ-HTAVTVPLSA-N 0 3 240.347 0.558 20 0 BCADHN CN(C(=O)[C@@H]1CC1(F)F)[C@@H]1CCN(CCO)C1 ZINC001033056943 711972858 /nfs/dbraw/zinc/97/28/58/711972858.db2.gz HIPQWUHORTUTIQ-BDAKNGLRSA-N 0 3 248.273 0.167 20 0 BCADHN C[C@H](CCNCc1c[nH]cn1)[S@@](C)=O ZINC000132599749 711972869 /nfs/dbraw/zinc/97/28/69/711972869.db2.gz QTHZVCLNTMWFAU-CLAHSXSESA-N 0 3 215.322 0.656 20 0 BCADHN C[C@H](CCNCc1cnc[nH]1)[S@@](C)=O ZINC000132599749 711972870 /nfs/dbraw/zinc/97/28/70/711972870.db2.gz QTHZVCLNTMWFAU-CLAHSXSESA-N 0 3 215.322 0.656 20 0 BCADHN COCCN1CC[C@H](N(C)C(=O)C2(C)CC2)C1 ZINC001033100572 711975312 /nfs/dbraw/zinc/97/53/12/711975312.db2.gz XIVXPMJBEQQRGA-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN COC[C@H](CNCc1cncc(OC)c1)OC ZINC000700019896 711983055 /nfs/dbraw/zinc/98/30/55/711983055.db2.gz YNXQOAFOLTUHQI-LBPRGKRZSA-N 0 3 240.303 0.841 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001033331514 711984521 /nfs/dbraw/zinc/98/45/21/711984521.db2.gz DEICVDKMXNLFMF-OUAUKWLOSA-N 0 3 226.320 0.167 20 0 BCADHN CC[S@@](=O)CCNCc1cncc(OC)c1 ZINC000700047291 711984802 /nfs/dbraw/zinc/98/48/02/711984802.db2.gz JJZLRUWALUJJMN-MRXNPFEDSA-N 0 3 242.344 0.948 20 0 BCADHN COc1cncc(CN[C@H](C)C[S@](C)=O)c1 ZINC000700045973 711984951 /nfs/dbraw/zinc/98/49/51/711984951.db2.gz CBDZBCOJBVIYQO-ABKXIKBNSA-N 0 3 242.344 0.947 20 0 BCADHN COc1cncc(CN[C@H](C)C[S@@](C)=O)c1 ZINC000700045979 711985008 /nfs/dbraw/zinc/98/50/08/711985008.db2.gz CBDZBCOJBVIYQO-JDNHERCYSA-N 0 3 242.344 0.947 20 0 BCADHN Cc1cc(CNC[C@@H]2COCCN2C)n(C)n1 ZINC000700155461 711986644 /nfs/dbraw/zinc/98/66/44/711986644.db2.gz KASMFPUFGDMTCA-GFCCVEGCSA-N 0 3 238.335 0.149 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)[C@]2(F)CCOC2)C1 ZINC001033367563 711987641 /nfs/dbraw/zinc/98/76/41/711987641.db2.gz GRGJTFFQLJMLGS-JQWIXIFHSA-N 0 3 244.310 0.668 20 0 BCADHN Cc1cc(NC[C@@H]2COCCN2C)nc(N)n1 ZINC000700257454 711989079 /nfs/dbraw/zinc/98/90/79/711989079.db2.gz AUWYICKZFFVREP-SECBINFHSA-N 0 3 237.307 0.110 20 0 BCADHN C[C@@H]1CCN(CC[S@@](C)=O)C[C@@H]1CO ZINC000700394139 711991324 /nfs/dbraw/zinc/99/13/24/711991324.db2.gz RWMVONINFJVTFE-GPCCPHFNSA-N 0 3 219.350 0.315 20 0 BCADHN COC(=O)N(C)CCN(C)CC[C@H](C)O ZINC000700703538 712003884 /nfs/dbraw/zinc/00/38/84/712003884.db2.gz SPDOYKSQWPAPMG-VIFPVBQESA-N 0 3 218.297 0.387 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CC[C@H](OCC)C1 ZINC000701834911 712030569 /nfs/dbraw/zinc/03/05/69/712030569.db2.gz WFGQKTIOMZPUBT-QWRGUYRKSA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)c1cc(CNCCO)cs1 ZINC000701850436 712031367 /nfs/dbraw/zinc/03/13/67/712031367.db2.gz SENNFCQRSOMRAA-UHFFFAOYSA-N 0 3 215.274 0.617 20 0 BCADHN CC(C)C(=O)N[C@@H]1CCCCN(CCO)C1 ZINC001034110488 712040726 /nfs/dbraw/zinc/04/07/26/712040726.db2.gz YAEKHILDXDMPNO-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccc2c(c1)CCO2 ZINC000702347891 712045488 /nfs/dbraw/zinc/04/54/88/712045488.db2.gz AUOCPJZTXWITLV-NSHDSACASA-N 0 3 249.314 0.449 20 0 BCADHN C[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CN(C)C)[C@@H]1C ZINC000702343258 712045662 /nfs/dbraw/zinc/04/56/62/712045662.db2.gz VLDPTWBBRNLHSA-WYUUTHIRSA-N 0 3 241.379 0.816 20 0 BCADHN C[C@H](C[C@H]1COCCN1)NCc1ncccn1 ZINC000702323202 712046865 /nfs/dbraw/zinc/04/68/65/712046865.db2.gz HJIUCDKDEJGCQV-MNOVXSKESA-N 0 3 236.319 0.333 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)C[C@H]1C ZINC000702329141 712046974 /nfs/dbraw/zinc/04/69/74/712046974.db2.gz INDXBEMKIBKTSJ-MXWKQRLJSA-N 0 3 227.352 0.380 20 0 BCADHN CCN(C(=O)[C@@H](N)CN(C)C)C1CCCC1 ZINC000702328861 712047136 /nfs/dbraw/zinc/04/71/36/712047136.db2.gz DHZWHVUHDGVUHT-NSHDSACASA-N 0 3 227.352 0.666 20 0 BCADHN C[C@@H]1CCC[C@H](CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000702338016 712047861 /nfs/dbraw/zinc/04/78/61/712047861.db2.gz AEALYEKTUOMVOZ-WOPDTQHZSA-N 0 3 241.379 0.818 20 0 BCADHN CC(C)CC[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702370592 712049469 /nfs/dbraw/zinc/04/94/69/712049469.db2.gz HLQDVKZFTNZSNN-MNOVXSKESA-N 0 3 229.368 0.816 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)CN(C)C)C[C@H](C)S1 ZINC000702395604 712049897 /nfs/dbraw/zinc/04/98/97/712049897.db2.gz VWESORZSZKEXJL-AEJSXWLSSA-N 0 3 245.392 0.228 20 0 BCADHN CCCC1(CNC(=O)[C@@H](N)CN(C)C)CCC1 ZINC000702391685 712049931 /nfs/dbraw/zinc/04/99/31/712049931.db2.gz OHHYVAKTRLYQCR-NSHDSACASA-N 0 3 241.379 0.962 20 0 BCADHN Cc1ncccc1NC(=O)[C@@H](N)CN(C)C ZINC000702407359 712050852 /nfs/dbraw/zinc/05/08/52/712050852.db2.gz DOWPFILWMPTLNJ-VIFPVBQESA-N 0 3 222.292 0.217 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000702427186 712052426 /nfs/dbraw/zinc/05/24/26/712052426.db2.gz FETLVQDDRYXTBF-AGIUHOORSA-N 0 3 247.342 0.548 20 0 BCADHN CO[C@](C)(CO)CNCc1cc(C)nn1C ZINC000702481060 712052851 /nfs/dbraw/zinc/05/28/51/712052851.db2.gz BLYWCHVSHAEQJT-NSHDSACASA-N 0 3 227.308 0.216 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCOc2ccccc21 ZINC000702432728 712053341 /nfs/dbraw/zinc/05/33/41/712053341.db2.gz XDCDVNXTRXJDKT-JTQLQIEISA-N 0 3 249.314 0.301 20 0 BCADHN CCCC(C)(C)NC(=O)[C@@H](N)CN(C)C ZINC000702400388 712053353 /nfs/dbraw/zinc/05/33/53/712053353.db2.gz HAXKOEACPRVYJC-VIFPVBQESA-N 0 3 215.341 0.570 20 0 BCADHN CC(C)(C)C(=O)N[C@H]1CCCCN(CCO)C1 ZINC001034494642 712065716 /nfs/dbraw/zinc/06/57/16/712065716.db2.gz BMANNDFJGGMICF-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN Cc1cc(N(C)[C@H]2C[C@@H](C(N)=O)C2)nc(N)n1 ZINC000703502692 712077194 /nfs/dbraw/zinc/07/71/94/712077194.db2.gz XZLFDXMBLJXASH-OCAPTIKFSA-N 0 3 235.291 0.067 20 0 BCADHN Nc1ccc(CN2CCC[C@@H]2CCO)nn1 ZINC000703917177 712093850 /nfs/dbraw/zinc/09/38/50/712093850.db2.gz FNKGWXSDKCJSRE-SNVBAGLBSA-N 0 3 222.292 0.406 20 0 BCADHN Nc1ccc(CN2CCC[C@H]2CCO)nn1 ZINC000703917176 712094349 /nfs/dbraw/zinc/09/43/49/712094349.db2.gz FNKGWXSDKCJSRE-JTQLQIEISA-N 0 3 222.292 0.406 20 0 BCADHN COC[C@@H]1CCCN(Cc2ccc(N)nn2)C1 ZINC000703972926 712097238 /nfs/dbraw/zinc/09/72/38/712097238.db2.gz HRRQVIYMVPCSSC-SNVBAGLBSA-N 0 3 236.319 0.917 20 0 BCADHN COC[C@H]1CCCN(Cc2ccc(N)nn2)C1 ZINC000703972925 712097318 /nfs/dbraw/zinc/09/73/18/712097318.db2.gz HRRQVIYMVPCSSC-JTQLQIEISA-N 0 3 236.319 0.917 20 0 BCADHN CN1CCOC[C@@H]1CNCc1ccoc1 ZINC000703986424 712098370 /nfs/dbraw/zinc/09/83/70/712098370.db2.gz BDKMLQSFDMENQL-NSHDSACASA-N 0 3 210.277 0.700 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCCNC(=O)C1 ZINC000704495168 712110853 /nfs/dbraw/zinc/11/08/53/712110853.db2.gz LOEGTIBYXBSCQV-JTQLQIEISA-N 0 3 241.335 0.098 20 0 BCADHN CC(C)C[C@@H](O)CNC(=O)C(N)C(F)(F)F ZINC000705251520 712126619 /nfs/dbraw/zinc/12/66/19/712126619.db2.gz LZXJKUPLJBVKLJ-RNFRBKRXSA-N 0 3 242.241 0.399 20 0 BCADHN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H](N)CN(C)C ZINC000705279453 712126933 /nfs/dbraw/zinc/12/69/33/712126933.db2.gz XARUEHHMYAVYCA-MXWKQRLJSA-N 0 3 227.352 0.665 20 0 BCADHN CC[C@H]1CCCCN1C(=O)[C@@H](N)CN(C)C ZINC000705275605 712127000 /nfs/dbraw/zinc/12/70/00/712127000.db2.gz GIYYKKNIXCDGSI-QWRGUYRKSA-N 0 3 227.352 0.666 20 0 BCADHN CN(CCO)CCN(C)C(=O)c1ccsn1 ZINC000705340806 712129030 /nfs/dbraw/zinc/12/90/30/712129030.db2.gz XSWBEJQGVZTFEO-UHFFFAOYSA-N 0 3 243.332 0.139 20 0 BCADHN CCC(=O)N1CCC2(CN(CCCO)C2)CC1 ZINC001035624577 712137933 /nfs/dbraw/zinc/13/79/33/712137933.db2.gz AGWPLSIDUPHJHL-UHFFFAOYSA-N 0 3 240.347 0.703 20 0 BCADHN COCC[C@@H](N)C(=O)N[C@H]1CCCC12CC2 ZINC000707022562 712163907 /nfs/dbraw/zinc/16/39/07/712163907.db2.gz NKIFTSPEAUROMS-ZJUUUORDSA-N 0 3 226.320 0.799 20 0 BCADHN Cc1cc(N2CC[C@]3(CCOC3)C2)nc(N)n1 ZINC000707231773 712167068 /nfs/dbraw/zinc/16/70/68/712167068.db2.gz IZCSNMDZVOIVJN-LBPRGKRZSA-N 0 3 234.303 0.984 20 0 BCADHN CCOC[C@H]1CCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000707539115 712171416 /nfs/dbraw/zinc/17/14/16/712171416.db2.gz BNZFTLOYXUTXLS-NWDGAFQWSA-N 0 3 240.347 0.999 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000707539112 712171531 /nfs/dbraw/zinc/17/15/31/712171531.db2.gz BNZFTLOYXUTXLS-NEPJUHHUSA-N 0 3 240.347 0.999 20 0 BCADHN COCC[C@@H](N)C(=O)N1CCOCC12CCC2 ZINC000707484329 712172216 /nfs/dbraw/zinc/17/22/16/712172216.db2.gz IYWOWVBYMBRYAX-SNVBAGLBSA-N 0 3 242.319 0.132 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NC[C@H]1COCCO1 ZINC000707708857 712176603 /nfs/dbraw/zinc/17/66/03/712176603.db2.gz VTHGMGLEZJAOSD-QWRGUYRKSA-N 0 3 244.335 0.282 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC(C(C)=O)CC1 ZINC000707730892 712176880 /nfs/dbraw/zinc/17/68/80/712176880.db2.gz QYFYOROQGMCMAX-GFCCVEGCSA-N 0 3 243.303 0.211 20 0 BCADHN CCN(CC(=O)NC)C(=O)[C@@H](N)CCC(C)C ZINC000707736647 712176903 /nfs/dbraw/zinc/17/69/03/712176903.db2.gz VJBCPXWBFYBOFB-JTQLQIEISA-N 0 3 243.351 0.344 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC(C(C)=O)CC1 ZINC000707730894 712176929 /nfs/dbraw/zinc/17/69/29/712176929.db2.gz QYFYOROQGMCMAX-LBPRGKRZSA-N 0 3 243.303 0.211 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@@H]1CC(C)(C)CO1 ZINC000708357358 712191153 /nfs/dbraw/zinc/19/11/53/712191153.db2.gz ZCZVPHHUYZZYJL-ZJUUUORDSA-N 0 3 249.376 0.824 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)[C@@H](N)CC2CC2)C1 ZINC000708963123 712204423 /nfs/dbraw/zinc/20/44/23/712204423.db2.gz SUVKIVPBSCGZNX-AXFHLTTASA-N 0 3 226.320 0.655 20 0 BCADHN C[C@H](NCCCC(=O)N(C)C)c1cn(C)cn1 ZINC000709940929 712234588 /nfs/dbraw/zinc/23/45/88/712234588.db2.gz WAVDGUFSXURVHS-JTQLQIEISA-N 0 3 238.335 0.939 20 0 BCADHN COC[C@H](O)CCN[C@H](C)c1cn(C)cn1 ZINC000709986460 712237246 /nfs/dbraw/zinc/23/72/46/712237246.db2.gz FVKLULYIYCZFDE-NXEZZACHSA-N 0 3 227.308 0.468 20 0 BCADHN C[C@H](NCC[C@]1(O)CCOC1)c1cn(C)cn1 ZINC000709987905 712237594 /nfs/dbraw/zinc/23/75/94/712237594.db2.gz WYNCLIBBIBNKOX-JQWIXIFHSA-N 0 3 239.319 0.612 20 0 BCADHN C[C@@H](NCCCn1cncn1)c1cn(C)cn1 ZINC000710005395 712239654 /nfs/dbraw/zinc/23/96/54/712239654.db2.gz HLNXTVFZNNLKGE-SNVBAGLBSA-N 0 3 234.307 0.753 20 0 BCADHN C[C@H](NCCN1CCC1)c1cn(C)cn1 ZINC000710032824 712243056 /nfs/dbraw/zinc/24/30/56/712243056.db2.gz YBOUEVZSRCWCRN-JTQLQIEISA-N 0 3 208.309 0.776 20 0 BCADHN CC[C@]1(O)CCCN(CC[S@](C)=O)C1 ZINC000710569110 712250492 /nfs/dbraw/zinc/25/04/92/712250492.db2.gz UPCDIBXARZDPSH-HZMBPMFUSA-N 0 3 219.350 0.602 20 0 BCADHN C[C@@H]1COC[C@H]1NCC(=O)NC(C)(C)C ZINC000710882379 712261452 /nfs/dbraw/zinc/26/14/52/712261452.db2.gz IQOIWHPCVCTQAF-RKDXNWHRSA-N 0 3 214.309 0.526 20 0 BCADHN Cc1ccc(CN[C@@H]2COCC[C@H]2O)cn1 ZINC000710908401 712262842 /nfs/dbraw/zinc/26/28/42/712262842.db2.gz WNBSHIVMAWBTMV-VXGBXAGGSA-N 0 3 222.288 0.629 20 0 BCADHN CNC(=O)C[C@H](C)N[C@H]1CCC1(OC)OC ZINC000710987133 712272444 /nfs/dbraw/zinc/27/24/44/712272444.db2.gz HOLZYBIHEOEIQV-IUCAKERBSA-N 0 3 230.308 0.252 20 0 BCADHN CNC(=O)C[C@H](C)N[C@@H]1CCC1(OC)OC ZINC000710987131 712272498 /nfs/dbraw/zinc/27/24/98/712272498.db2.gz HOLZYBIHEOEIQV-DTWKUNHWSA-N 0 3 230.308 0.252 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711858638 712335672 /nfs/dbraw/zinc/33/56/72/712335672.db2.gz RVVXWGILAFKZLZ-GDPRMGEGSA-N 0 3 226.320 0.655 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711858637 712335872 /nfs/dbraw/zinc/33/58/72/712335872.db2.gz RVVXWGILAFKZLZ-FBIMIBRVSA-N 0 3 226.320 0.655 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)C1CCCC1 ZINC001079344172 712348018 /nfs/dbraw/zinc/34/80/18/712348018.db2.gz NGWZTBIRIRWTQI-ZYHUDNBSSA-N 0 3 240.347 0.605 20 0 BCADHN CN(C)CCONC(=O)c1cccnc1Cl ZINC000379131391 712370171 /nfs/dbraw/zinc/37/01/71/712370171.db2.gz AXMKCYIPTAJPPX-UHFFFAOYSA-N 0 3 243.694 0.958 20 0 BCADHN COc1csc(C(=O)NOCCN(C)C)c1 ZINC000379173170 712370685 /nfs/dbraw/zinc/37/06/85/712370685.db2.gz PQZMKUOGJLBFEV-UHFFFAOYSA-N 0 3 244.316 0.980 20 0 BCADHN c1ccc(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)nc1 ZINC000724652567 712392390 /nfs/dbraw/zinc/39/23/90/712392390.db2.gz HLNLNYLFUORDFE-WXHSDQCUSA-N 0 3 234.299 0.975 20 0 BCADHN C[C@H](NC[C@@H]1CCN1C)c1cnccn1 ZINC000712604469 712436919 /nfs/dbraw/zinc/43/69/19/712436919.db2.gz CWOOXNZSNSLUMI-UWVGGRQHSA-N 0 3 206.293 0.831 20 0 BCADHN C[C@H](NC[C@@H]1CCN1C)c1nccn1C ZINC000712609079 712437429 /nfs/dbraw/zinc/43/74/29/712437429.db2.gz OCNCLTNVWPEKGS-UWVGGRQHSA-N 0 3 208.309 0.775 20 0 BCADHN CN1CC[C@H]1CNCc1ccc(CO)o1 ZINC000712611343 712437584 /nfs/dbraw/zinc/43/75/84/712437584.db2.gz WUUMYEVOAYUEKU-VIFPVBQESA-N 0 3 210.277 0.566 20 0 BCADHN COc1nccc(CNC[C@H]2CCN2C)n1 ZINC000712545816 712443983 /nfs/dbraw/zinc/44/39/83/712443983.db2.gz AMBSGOOPACEJBD-SNVBAGLBSA-N 0 3 222.292 0.279 20 0 BCADHN C[C@@]1(C(F)(F)F)CN(C(=O)CN)CCO1 ZINC000712726844 712448640 /nfs/dbraw/zinc/44/86/40/712448640.db2.gz OQBOTXZIYDOIIZ-ZETCQYMHSA-N 0 3 226.198 0.125 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@](C)(C(F)(F)F)C1 ZINC000712728962 712448853 /nfs/dbraw/zinc/44/88/53/712448853.db2.gz WITDQGZSRYPCDC-XPUUQOCRSA-N 0 3 240.225 0.513 20 0 BCADHN C=C/C=C/CCN1CCN(C)C[C@H]1CO ZINC000713652268 712468254 /nfs/dbraw/zinc/46/82/54/712468254.db2.gz ZVLRXCLJQIFTEX-ITKZLYELSA-N 0 3 210.321 0.727 20 0 BCADHN CCCn1cc(CNCCCCCO)nn1 ZINC000714507308 712493204 /nfs/dbraw/zinc/49/32/04/712493204.db2.gz KKFYIKQIRJMFFK-UHFFFAOYSA-N 0 3 226.324 0.940 20 0 BCADHN CCn1cc(CNCCC[C@H](C)CO)nn1 ZINC000714911981 712500057 /nfs/dbraw/zinc/50/00/57/712500057.db2.gz NSBSFROCXZDBED-JTQLQIEISA-N 0 3 226.324 0.796 20 0 BCADHN C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C(=O)[O-] ZINC000715272405 712515331 /nfs/dbraw/zinc/51/53/31/712515331.db2.gz SXLNFLTWCOLFPS-LPEHRKFASA-N 0 3 214.309 0.922 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CC[C@H](C3CC3)O2)C[C@H]1O ZINC000715397958 712516425 /nfs/dbraw/zinc/51/64/25/712516425.db2.gz XWIYRVIOHSEVCS-FDYHWXHSSA-N 0 3 241.331 0.636 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000715401500 712516775 /nfs/dbraw/zinc/51/67/75/712516775.db2.gz JDTBUIBYUNXJEL-LPEHRKFASA-N 0 3 235.274 0.969 20 0 BCADHN NC(C(=O)N1C[C@H]2[C@@H](C1)C2(F)F)C(F)(F)F ZINC000715419705 712518364 /nfs/dbraw/zinc/51/83/64/712518364.db2.gz FPJPOQGKEVAQKY-LMVFSUKVSA-N 0 3 244.163 0.600 20 0 BCADHN C[C@@H](NCC[C@H]1CCOC1)c1cn(C)nn1 ZINC000715874963 712537994 /nfs/dbraw/zinc/53/79/94/712537994.db2.gz BPKSOWQTYDGJRS-ZJUUUORDSA-N 0 3 224.308 0.892 20 0 BCADHN C[C@H](N[C@@H]1CCN(C2CC2)C1)c1cn(C)nn1 ZINC000715876193 712538825 /nfs/dbraw/zinc/53/88/25/712538825.db2.gz GLMDASKHOGYQPT-VHSXEESVSA-N 0 3 235.335 0.702 20 0 BCADHN C[C@H](N[C@@H](C)[C@H]1CCOC1)c1cn(C)nn1 ZINC000715882273 712539916 /nfs/dbraw/zinc/53/99/16/712539916.db2.gz KVKUEMHZTKKADU-GUBZILKMSA-N 0 3 224.308 0.891 20 0 BCADHN COCC[C@H](N)C(=O)NCC[C@H]1CCCS1 ZINC000715895025 712540535 /nfs/dbraw/zinc/54/05/35/712540535.db2.gz OTKYXKPZFAZOCY-ZJUUUORDSA-N 0 3 246.376 0.752 20 0 BCADHN C[C@H](N[C@@H]1CCCN(C)C1)c1cn(C)nn1 ZINC000715905783 712541570 /nfs/dbraw/zinc/54/15/70/712541570.db2.gz COQHIBUINNTRNK-VHSXEESVSA-N 0 3 223.324 0.560 20 0 BCADHN COC(OC)[C@H](C)NCc1[nH]ncc1C ZINC000716461282 712562973 /nfs/dbraw/zinc/56/29/73/712562973.db2.gz KLUWCUKGYHLGIO-QMMMGPOBSA-N 0 3 213.281 0.815 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000716695641 712570494 /nfs/dbraw/zinc/57/04/94/712570494.db2.gz NBDROLKJEKPOFU-GMTAPVOTSA-N 0 3 242.363 0.707 20 0 BCADHN CCOC(=O)/C=C\CN[C@@](C)(CO)COC ZINC000716805003 712575406 /nfs/dbraw/zinc/57/54/06/712575406.db2.gz SVKJTJBNXVXABA-GZTOBOFZSA-N 0 3 231.292 0.093 20 0 BCADHN CCS(=O)(=O)CCN[C@H](C)[C@@H]1CCCO1 ZINC000037371161 712578105 /nfs/dbraw/zinc/57/81/05/712578105.db2.gz LKEVAHYWXOWRPT-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN COC[C@](C)(CO)NC[C@@H](O)c1ccccc1 ZINC000716882541 712580150 /nfs/dbraw/zinc/58/01/50/712580150.db2.gz BGOOZHDCKPSBEY-OLZOCXBDSA-N 0 3 239.315 0.707 20 0 BCADHN C[C@](O)(CO)CNCc1ccc(F)nc1 ZINC000379914840 712625059 /nfs/dbraw/zinc/62/50/59/712625059.db2.gz BFYIRKMPQACQOB-SNVBAGLBSA-N 0 3 214.240 0.054 20 0 BCADHN CC/C=C(\F)C(=O)N[C@H](CO)CN(C)C ZINC000868345320 712622198 /nfs/dbraw/zinc/62/21/98/712622198.db2.gz GHXZXRIABIZZKZ-HXOPTJOXSA-N 0 3 218.272 0.289 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCc1nccs1 ZINC000379911188 712624606 /nfs/dbraw/zinc/62/46/06/712624606.db2.gz MUIJYENJGXYNLS-MRVPVSSYSA-N 0 3 225.317 0.887 20 0 BCADHN CC(C)N(C)C(=O)CNC[C@H]1CCCO1 ZINC000020055702 712626642 /nfs/dbraw/zinc/62/66/42/712626642.db2.gz JWSAXHQOEULMOQ-SNVBAGLBSA-N 0 3 214.309 0.622 20 0 BCADHN COCc1csc(CNC[C@H](O)[C@@H](C)O)c1 ZINC000717377340 712652407 /nfs/dbraw/zinc/65/24/07/712652407.db2.gz UQQBUSCAMILZFP-KCJUWKMLSA-N 0 3 245.344 0.726 20 0 BCADHN COCc1csc(CNC[C@@H](O)[C@@H](C)O)c1 ZINC000717377359 712652702 /nfs/dbraw/zinc/65/27/02/712652702.db2.gz UQQBUSCAMILZFP-LDYMZIIASA-N 0 3 245.344 0.726 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1cccc2c1OCC2 ZINC000717389384 712653321 /nfs/dbraw/zinc/65/33/21/712653321.db2.gz XDDRLOHOUQTNML-BXKDBHETSA-N 0 3 237.299 0.453 20 0 BCADHN Cc1ccncc1CNC[C@H](O)[C@H](C)O ZINC000717428521 712657541 /nfs/dbraw/zinc/65/75/41/712657541.db2.gz QUUSRFIMEDICKV-ONGXEEELSA-N 0 3 210.277 0.221 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)COC1CC1 ZINC000717664691 712663614 /nfs/dbraw/zinc/66/36/14/712663614.db2.gz JHJOUTTYGNDFRY-DTWKUNHWSA-N 0 3 212.293 0.374 20 0 BCADHN O=S(=O)([N-]C[C@H]1CCC[NH2+]1)c1ccns1 ZINC000717735199 712669220 /nfs/dbraw/zinc/66/92/20/712669220.db2.gz HOQUHBHDXMURTG-SSDOTTSWSA-N 0 3 247.345 0.173 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1CCCOCC1 ZINC000380015167 712669925 /nfs/dbraw/zinc/66/99/25/712669925.db2.gz MWYSWXRVRWOKMF-SNVBAGLBSA-N 0 3 212.293 0.363 20 0 BCADHN C[C@@]1(NCCN2CCCC2)CCOC1=O ZINC000380064773 712684523 /nfs/dbraw/zinc/68/45/23/712684523.db2.gz BSXYXRJWJZXNIG-LLVKDONJSA-N 0 3 212.293 0.377 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)CO2)CCN1 ZINC000718384745 712757910 /nfs/dbraw/zinc/75/79/10/712757910.db2.gz NFFHSFZAPPQWRW-SRVKXCTJSA-N 0 3 240.347 0.868 20 0 BCADHN Cc1coc(C(=O)N[C@@H](CO)CN(C)C)c1 ZINC000718400884 712758273 /nfs/dbraw/zinc/75/82/73/712758273.db2.gz WXIHQNHDRDIKLB-SECBINFHSA-N 0 3 226.276 0.240 20 0 BCADHN CC[C@H](N)C(=O)N(C)Cc1c(C)noc1C ZINC000037819171 712764700 /nfs/dbraw/zinc/76/47/00/712764700.db2.gz AADNEOFXGAVDHH-JTQLQIEISA-N 0 3 225.292 0.987 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2C[C@H](C)NC[C@@H]2C)C1 ZINC000718497918 712767180 /nfs/dbraw/zinc/76/71/80/712767180.db2.gz BXCWJJJOQHNHRP-NAKRPEOUSA-N 0 3 226.320 0.620 20 0 BCADHN O[C@@H](CN[C@@H]1COC[C@@H]1O)c1ccccc1 ZINC000037888354 712780915 /nfs/dbraw/zinc/78/09/15/712780915.db2.gz RZEHZHZYRYYFDQ-WOPDTQHZSA-N 0 3 223.272 0.069 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCC[C@@H](O)[C@H]1C ZINC000718918441 712787822 /nfs/dbraw/zinc/78/78/22/712787822.db2.gz PJTKHMRHIVCDBR-GMTAPVOTSA-N 0 3 245.319 0.146 20 0 BCADHN CC1CCN(C(=O)c2c(CN)cnn2C)CC1 ZINC000719243921 712801495 /nfs/dbraw/zinc/80/14/95/712801495.db2.gz JSMMNPMUCSLYIW-UHFFFAOYSA-N 0 3 236.319 0.751 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cn[nH]c2)CCN1C ZINC000719341894 712804389 /nfs/dbraw/zinc/80/43/89/712804389.db2.gz QWIGRNFNFHGCGI-VXNVDRBHSA-N 0 3 208.265 0.232 20 0 BCADHN COc1c(N)ncnc1N[C@H]1CCN(C)[C@H]1C ZINC000719332706 712804420 /nfs/dbraw/zinc/80/44/20/712804420.db2.gz IMALMGUKQXNLFQ-YUMQZZPRSA-N 0 3 237.307 0.572 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000719342211 712804541 /nfs/dbraw/zinc/80/45/41/712804541.db2.gz VKRBRIKPBFRZOG-SCZZXKLOSA-N 0 3 222.292 0.541 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C ZINC000719341382 712804671 /nfs/dbraw/zinc/80/46/71/712804671.db2.gz MLJFTKATCPVCCO-WCBMZHEXSA-N 0 3 235.287 0.610 20 0 BCADHN COc1c(N)ncnc1N[C@H]1CCN(C)[C@@H]1C ZINC000719332705 712804734 /nfs/dbraw/zinc/80/47/34/712804734.db2.gz IMALMGUKQXNLFQ-SFYZADRCSA-N 0 3 237.307 0.572 20 0 BCADHN C[C@@H]1[C@H](NC(=O)NC2CCC2)CCN1C ZINC000719373481 712806193 /nfs/dbraw/zinc/80/61/93/712806193.db2.gz NLRJGTQXPGIFCL-PSASIEDQSA-N 0 3 211.309 0.931 20 0 BCADHN C[C@@H]1[C@H](NC(=O)N2CCOCC2)CCN1C ZINC000719375198 712806585 /nfs/dbraw/zinc/80/65/85/712806585.db2.gz XYTVFQFMLDTVKY-NXEZZACHSA-N 0 3 227.308 0.121 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2ncccc2N)CCN1C ZINC000719462655 712808389 /nfs/dbraw/zinc/80/83/89/712808389.db2.gz FDCBIPYWLNZHAK-PSASIEDQSA-N 0 3 234.303 0.486 20 0 BCADHN NC1(C(=O)NCc2ncc(Cl)s2)CC1 ZINC000719445107 712808397 /nfs/dbraw/zinc/80/83/97/712808397.db2.gz YQRXBTCUVNATIY-UHFFFAOYSA-N 0 3 231.708 0.904 20 0 BCADHN Cc1c[nH]c(CN[C@@H]2CCN(C)[C@H]2C)n1 ZINC000719569050 712809782 /nfs/dbraw/zinc/80/97/82/712809782.db2.gz HEOLSQPHFRSJMO-VHSXEESVSA-N 0 3 208.309 0.900 20 0 BCADHN C[C@@H]1[C@H](NCc2nccn2C)CCN1C ZINC000719623538 712814145 /nfs/dbraw/zinc/81/41/45/712814145.db2.gz LVFCRIKBFYFXGW-NXEZZACHSA-N 0 3 208.309 0.602 20 0 BCADHN CCOC(=O)COCCN1CCO[C@@H](C)CC1 ZINC000720433092 712842113 /nfs/dbraw/zinc/84/21/13/712842113.db2.gz SCHFXVTXRZNZCO-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN CC1(C(=O)NC[C@H]2CNCCO2)CC(F)(F)C1 ZINC000720471207 712845627 /nfs/dbraw/zinc/84/56/27/712845627.db2.gz HNMMZVLXMQQZMM-MRVPVSSYSA-N 0 3 248.273 0.526 20 0 BCADHN C[C@H]1Cc2cc(CN[C@@H]3COC[C@H]3O)ccc2O1 ZINC000720749538 712863826 /nfs/dbraw/zinc/86/38/26/712863826.db2.gz RRFQWKOPQIMKQR-ZWKOPEQDSA-N 0 3 249.310 0.859 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cn[nH]n1 ZINC000720813041 712867449 /nfs/dbraw/zinc/86/74/49/712867449.db2.gz XFMYYVBRLCBEJK-ZJUUUORDSA-N 0 3 235.291 0.113 20 0 BCADHN CS(=O)(=O)CCNC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720821481 712868937 /nfs/dbraw/zinc/86/89/37/712868937.db2.gz PAUDDZODKHDXBF-OUAUKWLOSA-N 0 3 247.360 0.578 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C(C)(C)O ZINC000720841693 712870088 /nfs/dbraw/zinc/87/00/88/712870088.db2.gz UMFGPXKXFRBDJO-VHSXEESVSA-N 0 3 226.320 0.452 20 0 BCADHN Cc1cc(NC[C@H]2C[C@@H](O)C2)nc(N)n1 ZINC000720904227 712877226 /nfs/dbraw/zinc/87/72/26/712877226.db2.gz PKNYJBVMYAMFOF-OCAPTIKFSA-N 0 3 208.265 0.550 20 0 BCADHN CCn1ccnc1CNC[C@H]1C[C@H](O)C1 ZINC000720957678 712882078 /nfs/dbraw/zinc/88/20/78/712882078.db2.gz PJNBTQVNIDGBQW-MGCOHNPYSA-N 0 3 209.293 0.764 20 0 BCADHN C[C@H]1CN(c2ncc3c(n2)CNC3)[C@@H](C)CN1C ZINC001164642415 719196217 /nfs/dbraw/zinc/19/62/17/719196217.db2.gz YFCBIVKYQAWKRZ-UWVGGRQHSA-N 0 3 247.346 0.609 20 0 BCADHN CN1CCO[C@@H]2CN(c3cccc(N)n3)C[C@@H]21 ZINC001164669117 719381611 /nfs/dbraw/zinc/38/16/11/719381611.db2.gz PYKZUBNJKOSOHG-VHSXEESVSA-N 0 3 234.303 0.183 20 0 BCADHN CN(C)[C@H]1CN(C(=O)C2(C)CCCC2)C[C@@H]1O ZINC000564342464 398136605 /nfs/dbraw/zinc/13/66/05/398136605.db2.gz QRQNIEIGDSKTOJ-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN Cc1nc([C@H]2CCCN(CCO)C2)n[nH]1 ZINC000407948227 136207350 /nfs/dbraw/zinc/20/73/50/136207350.db2.gz UPDMKXROFADXBS-VIFPVBQESA-N 0 3 210.281 0.285 20 0 BCADHN Cc1n[nH]c([C@H]2CCCN(CCO)C2)n1 ZINC000407948227 136207351 /nfs/dbraw/zinc/20/73/51/136207351.db2.gz UPDMKXROFADXBS-VIFPVBQESA-N 0 3 210.281 0.285 20 0 BCADHN Cc1cc(C)n([C@H]2CCCN(C(=O)CN)C2)n1 ZINC000375872540 177931606 /nfs/dbraw/zinc/93/16/06/177931606.db2.gz FTLHGKXMEYXNCR-NSHDSACASA-N 0 3 236.319 0.622 20 0 BCADHN CCc1nn(C)cc1CNC1(CO)CCC1 ZINC000161398698 538915563 /nfs/dbraw/zinc/91/55/63/538915563.db2.gz AWPROWGFXGSFPU-UHFFFAOYSA-N 0 3 223.320 0.987 20 0 BCADHN C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccccc1[O-] ZINC000385195030 398139689 /nfs/dbraw/zinc/13/96/89/398139689.db2.gz AJGIDWQFGUIBGT-BDAKNGLRSA-N 0 3 220.272 0.954 20 0 BCADHN CN(C)CCSCC(=O)N1CCN(C)CC1 ZINC000340544260 398140068 /nfs/dbraw/zinc/14/00/68/398140068.db2.gz KUPLJPLXRCISOP-UHFFFAOYSA-N 0 3 245.392 0.055 20 0 BCADHN CN(CCNC(=O)N1CCC[C@@H](O)C1)C1CC1 ZINC000408145683 136210986 /nfs/dbraw/zinc/21/09/86/136210986.db2.gz 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CCCCNC(=O)CN1CC[C@@H](CO)[C@@H]1CC ZINC000385863294 342865495 /nfs/dbraw/zinc/86/54/95/342865495.db2.gz HTRGASMMFZLWFC-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)NCC(=O)N[C@H]1CCO[C@H](C)C1 ZINC000232668028 342868389 /nfs/dbraw/zinc/86/83/89/342868389.db2.gz ZXAYMIRZAREBEQ-ZJUUUORDSA-N 0 3 214.309 0.668 20 0 BCADHN CC[C@H](C)[C@@H](O)CNCc1cnnn1CC ZINC000417925018 398306511 /nfs/dbraw/zinc/30/65/11/398306511.db2.gz XWGGHNSSMFIERS-ONGXEEELSA-N 0 3 226.324 0.795 20 0 BCADHN OC[C@@H]1CC[C@H](NCc2cnc3ccnn3c2)C1 ZINC000648040309 398306526 /nfs/dbraw/zinc/30/65/26/398306526.db2.gz KLLHQMALZLIOAB-PWSUYJOCSA-N 0 3 246.314 0.980 20 0 BCADHN CC(C)(O)CCNC[C@H](O)C(F)(F)F ZINC000232557607 342857446 /nfs/dbraw/zinc/85/74/46/342857446.db2.gz SSTYUXWORWYSQS-LURJTMIESA-N 0 3 215.215 0.660 20 0 BCADHN CCN[C@@H](C)C(=O)NCCCOCC ZINC000308623726 342858577 /nfs/dbraw/zinc/85/85/77/342858577.db2.gz VEBRAPBQFHEZBE-VIFPVBQESA-N 0 3 202.298 0.527 20 0 BCADHN C[C@@H](CO)NCc1cccc2c1OCO2 ZINC000036168462 342894336 /nfs/dbraw/zinc/89/43/36/342894336.db2.gz BCSWQLQCCQHBOB-QMMMGPOBSA-N 0 3 209.245 0.886 20 0 BCADHN CCCCOC[C@H](O)CNC[C@H](O)C(F)F ZINC000233000963 342894400 /nfs/dbraw/zinc/89/44/00/342894400.db2.gz OSURPIJVFSQMRI-BDAKNGLRSA-N 0 3 241.278 0.380 20 0 BCADHN CN(CCc1cn(C)nn1)[C@H]1CCOC1 ZINC000625156034 342895706 /nfs/dbraw/zinc/89/57/06/342895706.db2.gz ULHIEORSWNOFSA-JTQLQIEISA-N 0 3 210.281 0.078 20 0 BCADHN CN(CCOC1CCOCC1)[C@H]1CCOC1 ZINC000625154014 342896092 /nfs/dbraw/zinc/89/60/92/342896092.db2.gz KXFLWAVAZGYJAG-NSHDSACASA-N 0 3 229.320 0.903 20 0 BCADHN CN(CCc1cn(C)nn1)CCn1cccn1 ZINC000625160511 342897379 /nfs/dbraw/zinc/89/73/79/342897379.db2.gz KWNFLMXJFGKNLY-UHFFFAOYSA-N 0 3 234.307 0.186 20 0 BCADHN CC(=O)NCCCNCc1cccnc1 ZINC000035217027 342884227 /nfs/dbraw/zinc/88/42/27/342884227.db2.gz QQYWLDQHFPMKDM-UHFFFAOYSA-N 0 3 207.277 0.697 20 0 BCADHN C[C@@H]1C[C@H](O)CN1Cc1ccc2c(c1)nnn2C ZINC000331804700 398312470 /nfs/dbraw/zinc/31/24/70/398312470.db2.gz 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20 0 BCADHN COCCCN(C)C(=O)[C@@H]1C[C@H](C)CCN1 ZINC000167440102 136246061 /nfs/dbraw/zinc/24/60/61/136246061.db2.gz VDWNONJZFMQMRP-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](CN(C)C)NC(=O)Nc1ccncn1 ZINC000351483568 136246065 /nfs/dbraw/zinc/24/60/65/136246065.db2.gz GXDBMUPRJARFBB-MRVPVSSYSA-N 0 3 223.280 0.548 20 0 BCADHN CCN(C)C(=O)CNC1CCOCC1 ZINC000036319655 342909163 /nfs/dbraw/zinc/90/91/63/342909163.db2.gz UCAGBBYPEXJLES-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN CCC[C@H](N)C(=O)NCc1cccnc1 ZINC000036873058 342912771 /nfs/dbraw/zinc/91/27/71/342912771.db2.gz MAYPEMCTPKMVMQ-JTQLQIEISA-N 0 3 207.277 0.825 20 0 BCADHN CN([C@@H]1CCN(C2CC2)C1=O)[C@H]1CCC[C@H]1O ZINC000352660705 398323335 /nfs/dbraw/zinc/32/33/35/398323335.db2.gz PKHROPRVSFVYPM-QJPTWQEYSA-N 0 3 238.331 0.595 20 0 BCADHN Cc1ncc(CNCCc2cn[nH]c2)n1C ZINC000584004994 342900385 /nfs/dbraw/zinc/90/03/85/342900385.db2.gz DWNCBZWSVJUEMK-UHFFFAOYSA-N 0 3 219.292 0.784 20 0 BCADHN CCO[C@@H]1CCCN(CCc2cn(C)nn2)C1 ZINC000625179729 342902678 /nfs/dbraw/zinc/90/26/78/342902678.db2.gz LGLGFVVMDYBUHP-GFCCVEGCSA-N 0 3 238.335 0.859 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC)C(=O)OC ZINC000236907065 398324203 /nfs/dbraw/zinc/32/42/03/398324203.db2.gz UHEBDEUTSNXOEN-CIUDSAMLSA-N 0 3 230.308 0.428 20 0 BCADHN C[C@@H]1[C@@H](C)N(Cc2cnnn2C)CCN1C ZINC000351571876 136247156 /nfs/dbraw/zinc/24/71/56/136247156.db2.gz BUALGCAOUJKNMY-NXEZZACHSA-N 0 3 223.324 0.340 20 0 BCADHN CC(=O)Nc1ccc(CNCCO)cc1 ZINC000017309873 342923233 /nfs/dbraw/zinc/92/32/33/342923233.db2.gz KXJUUHSPDKSLKJ-UHFFFAOYSA-N 0 3 208.261 0.727 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)[C@H]1CCCNC(=O)C1 ZINC000602615665 349637965 /nfs/dbraw/zinc/63/79/65/349637965.db2.gz RJPSAGRRYMFLFL-KCWFYHRYSA-N 0 3 246.376 0.354 20 0 BCADHN CO[C@H]1CCN(CCOC2CCOCC2)C1 ZINC000625212283 342914666 /nfs/dbraw/zinc/91/46/66/342914666.db2.gz MFAWESBWSYGXLX-LBPRGKRZSA-N 0 3 229.320 0.903 20 0 BCADHN C[C@]1(O)CCN(CCOC2CCOCC2)C1 ZINC000625212910 342915081 /nfs/dbraw/zinc/91/50/81/342915081.db2.gz OTDFAKRYIPVOJV-LBPRGKRZSA-N 0 3 229.320 0.639 20 0 BCADHN CC[C@H](N)C(=O)NCC(C)(C)CCOC ZINC000234041316 342916981 /nfs/dbraw/zinc/91/69/81/342916981.db2.gz STYULYXGSPEWGH-VIFPVBQESA-N 0 3 216.325 0.903 20 0 BCADHN COCCN(CCOC)C[C@@H](O)CSC ZINC000187724856 259328523 /nfs/dbraw/zinc/32/85/23/259328523.db2.gz DEIHYOMQLPSOSL-SNVBAGLBSA-N 0 3 237.365 0.305 20 0 BCADHN Cn1cc(CCN2CC[C@@]3(CCOC3)C2)nn1 ZINC000625221684 342918767 /nfs/dbraw/zinc/91/87/67/342918767.db2.gz HAHKFUVREGEZOH-GFCCVEGCSA-N 0 3 236.319 0.470 20 0 BCADHN Cn1cc(CCN2CC[C@]3(CCOC3)C2)nn1 ZINC000625221711 342918918 /nfs/dbraw/zinc/91/89/18/342918918.db2.gz HAHKFUVREGEZOH-LBPRGKRZSA-N 0 3 236.319 0.470 20 0 BCADHN C[C@@H]1CN(Cc2cnnn2C)[C@@H](C)CN1C ZINC000351572301 136247131 /nfs/dbraw/zinc/24/71/31/136247131.db2.gz CUNFQSDQGRWATI-ZJUUUORDSA-N 0 3 223.324 0.340 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000648106658 398326943 /nfs/dbraw/zinc/32/69/43/398326943.db2.gz JXMZGBSDGXSPNZ-GFCCVEGCSA-N 0 3 248.330 0.649 20 0 BCADHN CC(C)CC[C@@H](O)CN[C@@H]1COCC[C@H]1O ZINC000634729437 344011083 /nfs/dbraw/zinc/01/10/83/344011083.db2.gz LENJASZKTLSEJB-IJLUTSLNSA-N 0 3 231.336 0.523 20 0 BCADHN COc1nc(C(=O)NC[C@@H]2CCCN2C)co1 ZINC000625567810 344010337 /nfs/dbraw/zinc/01/03/37/344010337.db2.gz WYPZOAXJRRILBT-QMMMGPOBSA-N 0 3 239.275 0.507 20 0 BCADHN CC[C@]1(CO)CCCN1C[C@@H]1CN(C)C(=O)O1 ZINC000495732703 529431115 /nfs/dbraw/zinc/43/11/15/529431115.db2.gz XOWGYCVQDKIKFR-CMPLNLGQSA-N 0 3 242.319 0.674 20 0 BCADHN COC1CC(N[C@@H]2CCCCNC2=O)C1 ZINC000230696594 346884990 /nfs/dbraw/zinc/88/49/90/346884990.db2.gz DAKIYUWENAZUCC-UDNWOFFPSA-N 0 3 212.293 0.422 20 0 BCADHN CC[C@]1(O)CCN(CC(=O)N(C)C2CC2)C1 ZINC000495232597 529440333 /nfs/dbraw/zinc/44/03/33/529440333.db2.gz SBTGOEZCKMMGIU-LBPRGKRZSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000011953763 346883514 /nfs/dbraw/zinc/88/35/14/346883514.db2.gz VAXMEKMDEOEMPQ-LURJTMIESA-N 0 3 219.244 0.467 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000650598356 398329204 /nfs/dbraw/zinc/32/92/04/398329204.db2.gz OJAZDFSXFGIZBF-WOPDTQHZSA-N 0 3 240.347 0.605 20 0 BCADHN CCN(C)CCNC(=O)Cc1cncnc1 ZINC000354409344 398329389 /nfs/dbraw/zinc/32/93/89/398329389.db2.gz WUTFVBVACIRHNH-UHFFFAOYSA-N 0 3 222.292 0.087 20 0 BCADHN Cn1cc(NC(=O)CNCC2CC2)cn1 ZINC000037478338 342936924 /nfs/dbraw/zinc/93/69/24/342936924.db2.gz VKZXZKJOWOJDBL-UHFFFAOYSA-N 0 3 208.265 0.358 20 0 BCADHN COc1ccc(CN[C@@H](C)[C@@H](C)O)c(OC)n1 ZINC000580306178 346880330 /nfs/dbraw/zinc/88/03/30/346880330.db2.gz CARASHHGCPTONI-DTWKUNHWSA-N 0 3 240.303 0.958 20 0 BCADHN COc1ccc(CN[C@H](C)[C@@H](C)O)c(OC)n1 ZINC000580306180 346880335 /nfs/dbraw/zinc/88/03/35/346880335.db2.gz CARASHHGCPTONI-RKDXNWHRSA-N 0 3 240.303 0.958 20 0 BCADHN CN(C)CCN1NC=C2[C@@H](C1=O)C2(F)F ZINC000634589076 342935410 /nfs/dbraw/zinc/93/54/10/342935410.db2.gz NGTYLUXYWOBLHJ-RQJHMYQMSA-N 0 3 217.219 0.257 20 0 BCADHN O=C(CN1CC[C@]2(CCOC2)C1)NC1CC1 ZINC000153913990 398338138 /nfs/dbraw/zinc/33/81/38/398338138.db2.gz MKRCBKLHVFSOOJ-LBPRGKRZSA-N 0 3 224.304 0.377 20 0 BCADHN CC[C@H](NC(=O)/C=C\CN(C)C)C(=O)OC ZINC000493241801 529457444 /nfs/dbraw/zinc/45/74/44/529457444.db2.gz SFJOZVIHSWHEEV-NMTCXDENSA-N 0 3 228.292 0.172 20 0 BCADHN CCN(C)C(=O)CN1[C@H](C)CCC[C@H]1CO ZINC000354876606 398331150 /nfs/dbraw/zinc/33/11/50/398331150.db2.gz HNTPXEOROSFSMA-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN COC(=O)C1CCN(C[C@@H](C)O)CC1 ZINC000037693506 342941017 /nfs/dbraw/zinc/94/10/17/342941017.db2.gz NWOGADVLJYAEQC-MRVPVSSYSA-N 0 3 201.266 0.252 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCOCC ZINC000037480740 342937598 /nfs/dbraw/zinc/93/75/98/342937598.db2.gz XZJFTCXCCJHZNU-SECBINFHSA-N 0 3 202.298 0.657 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCOCC ZINC000037481527 342937998 /nfs/dbraw/zinc/93/79/98/342937998.db2.gz KDJXANALRJHKJY-JTQLQIEISA-N 0 3 202.298 0.657 20 0 BCADHN C[C@@H](N[C@@H]1COC[C@@H]1O)c1ccncc1 ZINC000037889185 398335084 /nfs/dbraw/zinc/33/50/84/398335084.db2.gz OURUUDHLCHXVQR-IEBDPFPHSA-N 0 3 208.261 0.492 20 0 BCADHN COCCCCCNC(=O)C1(N)CCC1 ZINC000234701688 342939046 /nfs/dbraw/zinc/93/90/46/342939046.db2.gz LDYPHXUHSMZNKR-UHFFFAOYSA-N 0 3 214.309 0.801 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC[C@@H]1CCOC1 ZINC000037739138 342946897 /nfs/dbraw/zinc/94/68/97/342946897.db2.gz CKUHFADXAZJVFX-UWVGGRQHSA-N 0 3 214.309 0.513 20 0 BCADHN COC(=O)CNC(=O)CN1CC[C@@H](C)[C@@H]1C ZINC000247388440 398340664 /nfs/dbraw/zinc/34/06/64/398340664.db2.gz VMPLDBLYWQYBSF-BDAKNGLRSA-N 0 3 228.292 0.006 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N(C)C1CCC1 ZINC000408451169 398340724 /nfs/dbraw/zinc/34/07/24/398340724.db2.gz IEDFKFRVQXLPAP-MRVPVSSYSA-N 0 3 227.308 0.705 20 0 BCADHN OCC1CCN(CCc2cnccn2)CC1 ZINC000402936919 398341278 /nfs/dbraw/zinc/34/12/78/398341278.db2.gz VTDZPVZLAHLNSD-UHFFFAOYSA-N 0 3 221.304 0.723 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)C2CCC2)CCCO1 ZINC000335510238 398341693 /nfs/dbraw/zinc/34/16/93/398341693.db2.gz GQECOTZXFJQSHC-KOLCDFICSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H]1[C@@H](CO)CCN1Cc1cnn(C)c1 ZINC000335735016 398342275 /nfs/dbraw/zinc/34/22/75/398342275.db2.gz MZCMFCPGQLRJFX-MWLCHTKSSA-N 0 3 209.293 0.623 20 0 BCADHN Cc1cnn(CCN2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000368327260 398343588 /nfs/dbraw/zinc/34/35/88/398343588.db2.gz BLARTELNNNDHLS-GDNZZTSVSA-N 0 3 221.304 0.362 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)C[C@@H]1CSCCN1 ZINC000085614169 488189920 /nfs/dbraw/zinc/18/99/20/488189920.db2.gz RKJKWNVUYOZFEC-IWSPIJDZSA-N 0 3 214.334 0.606 20 0 BCADHN CN(C)CCN1CCC(Nc2ncccn2)CC1 ZINC000075669258 344015385 /nfs/dbraw/zinc/01/53/85/344015385.db2.gz FXWZDJXCUAXTNB-UHFFFAOYSA-N 0 3 249.362 0.915 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)CNC2CC2)C1 ZINC000234813473 342953568 /nfs/dbraw/zinc/95/35/68/342953568.db2.gz NUNSXWQFDHNASP-NXEZZACHSA-N 0 3 212.293 0.422 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CCSC)C1 ZINC000234850329 342955670 /nfs/dbraw/zinc/95/56/70/342955670.db2.gz VZBWWTWCHVBOBN-BBBLOLIVSA-N 0 3 246.376 0.751 20 0 BCADHN NC1(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000638696632 352534286 /nfs/dbraw/zinc/53/42/86/352534286.db2.gz VRLLEUIKNLSFNQ-DTWKUNHWSA-N 0 3 210.277 0.161 20 0 BCADHN CC[C@@](C)(NC[C@@H](OC)C1CC1)C(N)=O ZINC000400269131 529506477 /nfs/dbraw/zinc/50/64/77/529506477.db2.gz XFKKVARQBUPKMO-MWLCHTKSSA-N 0 3 214.309 0.655 20 0 BCADHN CNC(=O)c1cccc(CN2C[C@@H](C)[C@H](O)C2)c1 ZINC000351778148 136253980 /nfs/dbraw/zinc/25/39/80/136253980.db2.gz HKAIYGIESGLVKA-ZWNOBZJWSA-N 0 3 248.326 0.859 20 0 BCADHN CCCN(C)CC(=O)N(C)CCCCO ZINC000351784044 136254348 /nfs/dbraw/zinc/25/43/48/136254348.db2.gz NRKOZBQKJLJXCM-UHFFFAOYSA-N 0 3 216.325 0.559 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@H](N)CC(C)C)C1 ZINC000040503551 346903480 /nfs/dbraw/zinc/90/34/80/346903480.db2.gz GHTHKXZUQYQZOI-VXGBXAGGSA-N 0 3 241.379 0.960 20 0 BCADHN COC[C@H](C)N(C)C(=O)[C@@H](N)C(C)C ZINC000037815695 342955245 /nfs/dbraw/zinc/95/52/45/342955245.db2.gz GIZKETLKUGJUPS-IUCAKERBSA-N 0 3 202.298 0.463 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@@H](C)[C@@H]1CC1(F)F ZINC000602707405 349700633 /nfs/dbraw/zinc/70/06/33/349700633.db2.gz ACLXWEVXOBGADB-XSPKLOCKSA-N 0 3 249.257 0.950 20 0 BCADHN CC1(C)C[C@H]1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343162214 534928974 /nfs/dbraw/zinc/92/89/74/534928974.db2.gz GNXVEEJBGFYTLZ-WDEREUQCSA-N 0 3 237.347 0.291 20 0 BCADHN C[C@@H](O)CN1CCN(CC2CC2)[C@H](C)C1 ZINC000189557475 346903835 /nfs/dbraw/zinc/90/38/35/346903835.db2.gz SZGKPYKEJCSJTA-GHMZBOCLSA-N 0 3 212.337 0.783 20 0 BCADHN COC[C@@H](N[C@@H]1CCO[C@@H]1C(=O)OC)C1CC1 ZINC000602712278 349704605 /nfs/dbraw/zinc/70/46/05/349704605.db2.gz YRJVNUCXGKPBSB-MXWKQRLJSA-N 0 3 243.303 0.332 20 0 BCADHN COC[C@@H](C)CN(CC(N)=O)C(C)C ZINC000189557829 346904317 /nfs/dbraw/zinc/90/43/17/346904317.db2.gz TUOPKBKONIZQFE-VIFPVBQESA-N 0 3 202.298 0.465 20 0 BCADHN COC(=O)[C@H]1OCC[C@H]1N[C@H](C)[C@@H](C)OC ZINC000602711647 349703964 /nfs/dbraw/zinc/70/39/64/349703964.db2.gz UDNNFUFSYMAREA-KYXWUPHJSA-N 0 3 231.292 0.330 20 0 BCADHN COCCOC[C@H](O)CNCc1ccccn1 ZINC000234901268 342965452 /nfs/dbraw/zinc/96/54/52/342965452.db2.gz FADHESUSKBVOBI-GFCCVEGCSA-N 0 3 240.303 0.195 20 0 BCADHN Cc1ncsc1CCN1CC(C)(C(N)=O)C1 ZINC000576820152 365693382 /nfs/dbraw/zinc/69/33/82/365693382.db2.gz OXPSPRLEQDJHEP-UHFFFAOYSA-N 0 3 239.344 0.801 20 0 BCADHN CC[C@@H](NC(=O)/C=C/CN(C)C)[C@@H](O)CC ZINC000493370909 529571542 /nfs/dbraw/zinc/57/15/42/529571542.db2.gz QEYOAKZNBFBONG-SFEFJYQLSA-N 0 3 228.336 0.770 20 0 BCADHN CC[C@@H](NC(=O)/C=C/CN(C)C)C(C)(C)O ZINC000493717187 529571839 /nfs/dbraw/zinc/57/18/39/529571839.db2.gz FKMLGOILSOAJED-QROSGCPLSA-N 0 3 228.336 0.770 20 0 BCADHN COCCOCC(=O)N(CCN(C)C)C(C)C ZINC000151789710 323028015 /nfs/dbraw/zinc/02/80/15/323028015.db2.gz ASXIXFVMQIBCPG-UHFFFAOYSA-N 0 3 246.351 0.448 20 0 BCADHN Cc1ccc(F)cc1NC(=O)[C@H]1C[C@H](O)CN1 ZINC000020434359 342985401 /nfs/dbraw/zinc/98/54/01/342985401.db2.gz AYQGQXKFVLGZOV-GXSJLCMTSA-N 0 3 238.262 0.795 20 0 BCADHN C[C@H](N)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000037823919 342985905 /nfs/dbraw/zinc/98/59/05/342985905.db2.gz XRQDIYPNOYROII-IUCAKERBSA-N 0 3 207.277 0.948 20 0 BCADHN CCN(C#N)CCN(C[C@@H](C)O)C(C)C ZINC000602778318 349743898 /nfs/dbraw/zinc/74/38/98/349743898.db2.gz XBEFMZPXGOIGIH-LLVKDONJSA-N 0 3 213.325 0.881 20 0 BCADHN CO[C@H](C)[C@@H](C)NC[C@H](C)S(C)(=O)=O ZINC000308633374 259339958 /nfs/dbraw/zinc/33/99/58/259339958.db2.gz ZVWIOZYJNYBOJN-DJLDLDEBSA-N 0 3 223.338 0.433 20 0 BCADHN CCN(C#N)CCN1CC[C@@H](COC)C1 ZINC000602777395 349732426 /nfs/dbraw/zinc/73/24/26/349732426.db2.gz FXJQQSCMJJBIOV-LLVKDONJSA-N 0 3 211.309 0.758 20 0 BCADHN CCO[C@H]1C[C@H]1C(=O)NCCN(C)C1CC1 ZINC000067865885 349759529 /nfs/dbraw/zinc/75/95/29/349759529.db2.gz KNCCWFBCYGQSIB-MNOVXSKESA-N 0 3 226.320 0.622 20 0 BCADHN CCN(C#N)CCN1CC[C@](C)(C(=O)NC)C1 ZINC000602830058 349766382 /nfs/dbraw/zinc/76/63/82/349766382.db2.gz XKQQLTPUKIZVOD-LBPRGKRZSA-N 0 3 238.335 0.247 20 0 BCADHN COc1cc(NC(=O)[C@@H]2C[C@@H]2N)cc(OC)c1 ZINC000050457483 343021951 /nfs/dbraw/zinc/02/19/51/343021951.db2.gz ILHGXNMDSZSZBJ-MNOVXSKESA-N 0 3 236.271 0.990 20 0 BCADHN C[C@H](O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000144860521 343024354 /nfs/dbraw/zinc/02/43/54/343024354.db2.gz FJJNEGMAIGINJL-IUCAKERBSA-N 0 3 214.309 0.356 20 0 BCADHN CCN(C#N)CCN[C@H](COC)C1CC1 ZINC000602805652 349751849 /nfs/dbraw/zinc/75/18/49/349751849.db2.gz PJALKUXVFMLPIR-LLVKDONJSA-N 0 3 211.309 0.804 20 0 BCADHN CCN(C#N)CCN(C)CCN(C)C1CC1 ZINC000602810725 349754915 /nfs/dbraw/zinc/75/49/15/349754915.db2.gz HWPSLZOQCILJDM-UHFFFAOYSA-N 0 3 224.352 0.815 20 0 BCADHN CCN(C#N)CCN[C@H]1CCC[C@H]1C(=O)OC ZINC000602835285 349775332 /nfs/dbraw/zinc/77/53/32/349775332.db2.gz JATAWYQKVIOQJM-MNOVXSKESA-N 0 3 239.319 0.721 20 0 BCADHN CCN(C#N)CCN1CC[C@@H](C(=O)N(C)C)C1 ZINC000602839866 349778535 /nfs/dbraw/zinc/77/85/35/349778535.db2.gz JXDBEZCTDGHTLQ-LLVKDONJSA-N 0 3 238.335 0.199 20 0 BCADHN CCN(C#N)CCN(C)C1CCN(OC)CC1 ZINC000602842174 349780097 /nfs/dbraw/zinc/78/00/97/349780097.db2.gz NQAHCYOOIGABHW-UHFFFAOYSA-N 0 3 240.351 0.747 20 0 BCADHN CCN(C#N)CCN[C@H]1C[C@@H](O)C1(C)C ZINC000602842151 349780351 /nfs/dbraw/zinc/78/03/51/349780351.db2.gz QPJIGCOVYHXKSE-VHSXEESVSA-N 0 3 211.309 0.538 20 0 BCADHN NS(=O)(=O)C[C@@H]1CCCN1CCCCF ZINC000351877088 136261793 /nfs/dbraw/zinc/26/17/93/136261793.db2.gz APLZIYJZOJVVDQ-VIFPVBQESA-N 0 3 238.328 0.489 20 0 BCADHN CCN(C#N)CCN[C@H](CO)[C@H]1CCCOC1 ZINC000602844954 349781019 /nfs/dbraw/zinc/78/10/19/349781019.db2.gz VLNHQQGCISJBAA-NWDGAFQWSA-N 0 3 241.335 0.166 20 0 BCADHN CCNC(=O)[C@@H](NCCN(C#N)CC)C(C)C ZINC000602832731 349768362 /nfs/dbraw/zinc/76/83/62/349768362.db2.gz QTALTCXKFASANI-NSHDSACASA-N 0 3 240.351 0.540 20 0 BCADHN CN(CCN1C(=O)CCC1=O)[C@H]1CCSC1 ZINC000162661848 349789182 /nfs/dbraw/zinc/78/91/82/349789182.db2.gz RHJZPZHSLJEFKE-VIFPVBQESA-N 0 3 242.344 0.573 20 0 BCADHN C[C@H]1OCC[C@@]1(C)NCC(=O)NC1CC1 ZINC000235594499 343048227 /nfs/dbraw/zinc/04/82/27/343048227.db2.gz ULAMKTKZLJVNFG-LDYMZIIASA-N 0 3 212.293 0.422 20 0 BCADHN C[C@H](O)CCN(C)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634645827 343056947 /nfs/dbraw/zinc/05/69/47/343056947.db2.gz TZEIAMUUDHCAMS-DRZSPHRISA-N 0 3 245.363 0.601 20 0 BCADHN CC[C@@H](O)Cn1cc([C@](C)(N)CC)nn1 ZINC000384175878 343059246 /nfs/dbraw/zinc/05/92/46/343059246.db2.gz ODYSSEDAFREZDM-PSASIEDQSA-N 0 3 212.297 0.633 20 0 BCADHN CC[C@H](O)Cn1cc([C@@](C)(N)CC)nn1 ZINC000384175883 343059323 /nfs/dbraw/zinc/05/93/23/343059323.db2.gz ODYSSEDAFREZDM-WPRPVWTQSA-N 0 3 212.297 0.633 20 0 BCADHN O=C(Cc1cccs1)NC[C@@H]1CNCCO1 ZINC000212316692 343073695 /nfs/dbraw/zinc/07/36/95/343073695.db2.gz ANFUWDGTANCUEZ-VIFPVBQESA-N 0 3 240.328 0.395 20 0 BCADHN CC[C@@](C)(N)c1cn([C@@H]2CCOC2)nn1 ZINC000384183358 343060546 /nfs/dbraw/zinc/06/05/46/343060546.db2.gz RDDDMXXIOMYLJX-PSASIEDQSA-N 0 3 210.281 0.823 20 0 BCADHN COC[C@H](O)CN1CC(Cc2ccco2)C1 ZINC000634651784 343063028 /nfs/dbraw/zinc/06/30/28/343063028.db2.gz ZACZPXMKTMNGRK-LLVKDONJSA-N 0 3 225.288 0.761 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000576871412 365699212 /nfs/dbraw/zinc/69/92/12/365699212.db2.gz PQVHKQWRXDWEQW-DJLDLDEBSA-N 0 3 212.293 0.407 20 0 BCADHN CN(CCN1CCCC1=O)[C@H]1CCCC[C@@H]1O ZINC000119279433 343070615 /nfs/dbraw/zinc/07/06/15/343070615.db2.gz QEWUPNJXAIZISP-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](O)CCN1CCN(C)C(C)(C)C1 ZINC000082484460 362027118 /nfs/dbraw/zinc/02/71/18/362027118.db2.gz ZAFMZHCLSFYYJJ-JTQLQIEISA-N 0 3 200.326 0.783 20 0 BCADHN CCOCCNC[C@@H](C)S(C)(=O)=O ZINC000576863797 365707142 /nfs/dbraw/zinc/70/71/42/365707142.db2.gz SKUWPCCYOQYIKE-MRVPVSSYSA-N 0 3 209.311 0.046 20 0 BCADHN C[C@H](NC(=O)NC[C@@H]1CNCCO1)C1CCC1 ZINC000669545050 488199249 /nfs/dbraw/zinc/19/92/49/488199249.db2.gz WQUOTORRQQBAGL-ONGXEEELSA-N 0 3 241.335 0.463 20 0 BCADHN Cn1cc([C@@H](CO)NC2CCCC2)cn1 ZINC000038122989 343075911 /nfs/dbraw/zinc/07/59/11/343075911.db2.gz WRPJZNGWHNOMRR-LLVKDONJSA-N 0 3 209.293 0.986 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)c1cccc(=O)[nH]1 ZINC000236412587 343097431 /nfs/dbraw/zinc/09/74/31/343097431.db2.gz QHPDYCRFDHJSHF-VIFPVBQESA-N 0 3 247.298 0.341 20 0 BCADHN CN(C)C(=O)Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000640789186 362039583 /nfs/dbraw/zinc/03/95/83/362039583.db2.gz HTACTSMWZGQJIU-SNVBAGLBSA-N 0 3 239.323 0.412 20 0 BCADHN C[C@@H](CNC(=O)c1cnn(C)c1)N(C)C ZINC000046273052 343102840 /nfs/dbraw/zinc/10/28/40/343102840.db2.gz AKIQFAMPIWZMQF-QMMMGPOBSA-N 0 3 210.281 0.100 20 0 BCADHN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)C ZINC000046273596 343103151 /nfs/dbraw/zinc/10/31/51/343103151.db2.gz WBEQKOFRTWPCKL-VIFPVBQESA-N 0 3 243.351 0.215 20 0 BCADHN C[C@H](C(N)=O)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000640810271 362055894 /nfs/dbraw/zinc/05/58/94/362055894.db2.gz KHZUGUARIWRVJO-SVRRBLITSA-N 0 3 225.296 0.370 20 0 BCADHN CN[C@@H](C)C(=O)N(C)C[C@@H]1CCCOC1 ZINC000082545368 362056640 /nfs/dbraw/zinc/05/66/40/362056640.db2.gz YSCPKCGDXOUMEF-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN CN[C@@H](C)C(=O)N(C)C[C@H]1CCCOC1 ZINC000082545370 362057523 /nfs/dbraw/zinc/05/75/23/362057523.db2.gz YSCPKCGDXOUMEF-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCOC[C@H]1CCCO1 ZINC000236747879 343109939 /nfs/dbraw/zinc/10/99/39/343109939.db2.gz UGIRIORKGXMAMW-MNOVXSKESA-N 0 3 244.335 0.282 20 0 BCADHN CCn1nccc1CCNC1(C(N)=O)CC1 ZINC000309917815 343093625 /nfs/dbraw/zinc/09/36/25/343093625.db2.gz QKBQMWCYMZECEF-UHFFFAOYSA-N 0 3 222.292 0.053 20 0 BCADHN COC[C@H](N)Cc1cn(CCOC(C)C)nn1 ZINC000640834607 362062960 /nfs/dbraw/zinc/06/29/60/362062960.db2.gz QUMRQBTVATYQCC-SNVBAGLBSA-N 0 3 242.323 0.219 20 0 BCADHN Cn1cncc1CCCN1CCOC[C@H](O)C1 ZINC000399889956 343095553 /nfs/dbraw/zinc/09/55/53/343095553.db2.gz IWZUOCUKCAXNKR-GFCCVEGCSA-N 0 3 239.319 0.046 20 0 BCADHN COC[C@@H](N)Cc1cn(CC2CCC2)nn1 ZINC000640947622 362094346 /nfs/dbraw/zinc/09/43/46/362094346.db2.gz MUBQQFGDWUQPRS-JTQLQIEISA-N 0 3 224.308 0.594 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)c1cn(C)nc1C ZINC000237053018 343121963 /nfs/dbraw/zinc/12/19/63/343121963.db2.gz MLQCQVVUVDDHAU-OIBJUYFYSA-N 0 3 224.308 0.643 20 0 BCADHN CC[C@@H](N)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000237046765 343122096 /nfs/dbraw/zinc/12/20/96/343122096.db2.gz GGQCMIKIBGAXDV-OYNCUSHFSA-N 0 3 214.309 0.796 20 0 BCADHN CCOC(=O)CC[C@@H](C)NC(=O)CNC1CC1 ZINC000236824266 343112515 /nfs/dbraw/zinc/11/25/15/343112515.db2.gz HQQRSMVTEXLQSD-SECBINFHSA-N 0 3 242.319 0.586 20 0 BCADHN CC[C@@H](NC(=O)CNC1CC1)[C@@H]1CCCO1 ZINC000236901605 343114713 /nfs/dbraw/zinc/11/47/13/343114713.db2.gz NXVXPXURMDTFMI-MNOVXSKESA-N 0 3 226.320 0.812 20 0 BCADHN C[C@H](C(=O)N[C@H]1CCN(C2CC2)C1)n1cncn1 ZINC000067863750 362085685 /nfs/dbraw/zinc/08/56/85/362085685.db2.gz ITCJSLPPZMISPY-ZJUUUORDSA-N 0 3 249.318 0.192 20 0 BCADHN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)N)C1 ZINC000236941896 343116002 /nfs/dbraw/zinc/11/60/02/343116002.db2.gz FBZLPRSYJNAFGZ-IOOBAMJDSA-N 0 3 246.376 0.530 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)CNC2CC2)C1 ZINC000236971345 343116435 /nfs/dbraw/zinc/11/64/35/343116435.db2.gz OZEBLVQCIMNYNA-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN Cc1cc(NC(=O)NCCN(C)C)nn1C ZINC000170590052 136270230 /nfs/dbraw/zinc/27/02/30/136270230.db2.gz AUJOCTDKEJFERU-UHFFFAOYSA-N 0 3 225.296 0.412 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCCOC(C)(C)C ZINC000193581092 136270964 /nfs/dbraw/zinc/27/09/64/136270964.db2.gz WBXLFQXLQWDOIK-VHSXEESVSA-N 0 3 228.336 0.916 20 0 BCADHN COc1cncc(CNC2(CO)CCCC2)n1 ZINC000625259069 343125749 /nfs/dbraw/zinc/12/57/49/343125749.db2.gz DMDKKEMYFBDMHT-UHFFFAOYSA-N 0 3 237.303 0.880 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1Cc1ccn(C)c(=O)c1 ZINC000677728588 488203892 /nfs/dbraw/zinc/20/38/92/488203892.db2.gz KHVNNVUHXXBBJZ-MWLCHTKSSA-N 0 3 222.288 0.340 20 0 BCADHN Cc1n[nH]cc1CCCNC(=O)[C@@H](C)N ZINC000050183100 343136423 /nfs/dbraw/zinc/13/64/23/343136423.db2.gz LJVRYRAKAPLGQI-SSDOTTSWSA-N 0 3 210.281 0.114 20 0 BCADHN CC[C@H](N)C(=O)NCCCc1c[nH]nc1C ZINC000050183138 343136490 /nfs/dbraw/zinc/13/64/90/343136490.db2.gz QLUYCSPJTNEIAD-JTQLQIEISA-N 0 3 224.308 0.504 20 0 BCADHN COc1ccc([O-])c(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000050228179 343138316 /nfs/dbraw/zinc/13/83/16/343138316.db2.gz JIKTWDGVEINFSG-QMMMGPOBSA-N 0 3 236.271 0.574 20 0 BCADHN COc1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1[O-] ZINC000050228520 343138333 /nfs/dbraw/zinc/13/83/33/343138333.db2.gz ZQLDRCAZFHZMJY-QMMMGPOBSA-N 0 3 236.271 0.574 20 0 BCADHN CC1(C)[C@H](NCC(=O)N2CCCCC2)C[C@@H]1O ZINC000129510788 343177835 /nfs/dbraw/zinc/17/78/35/343177835.db2.gz WPONZQXBWKXRTF-MNOVXSKESA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)n1cncc1CNCCc1ncn(C)n1 ZINC000127911107 343178842 /nfs/dbraw/zinc/17/88/42/343178842.db2.gz DPEDAEHUXILURV-UHFFFAOYSA-N 0 3 248.334 0.925 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000127692565 343179035 /nfs/dbraw/zinc/17/90/35/343179035.db2.gz DIAZVWHEBGIBNF-VHSXEESVSA-N 0 3 236.319 0.457 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N[C@H]1C[C@H](O)C1(C)C ZINC000131116350 343182512 /nfs/dbraw/zinc/18/25/12/343182512.db2.gz PDSPSTYJFOKGAZ-DCAQKATOSA-N 0 3 242.363 0.896 20 0 BCADHN O=C(CNCC1(O)CCC1)NCC1CC1 ZINC000131209279 343183307 /nfs/dbraw/zinc/18/33/07/343183307.db2.gz DFFHRPWTKPVXAP-UHFFFAOYSA-N 0 3 212.293 0.017 20 0 BCADHN Cc1cnccc1CNC(=O)CNC1CC1 ZINC000129834777 343185031 /nfs/dbraw/zinc/18/50/31/343185031.db2.gz HZQZLJFYVNYVDU-UHFFFAOYSA-N 0 3 219.288 0.758 20 0 BCADHN C[C@@H](CO)N(C)CCOC1CCOCC1 ZINC000625268298 343157715 /nfs/dbraw/zinc/15/77/15/343157715.db2.gz UMUSKMBBCPOIGF-JTQLQIEISA-N 0 3 217.309 0.495 20 0 BCADHN Cc1cccc(C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000122563546 343160187 /nfs/dbraw/zinc/16/01/87/343160187.db2.gz HAIUFMXLAALAHI-CYBMUJFWSA-N 0 3 247.342 0.710 20 0 BCADHN CN1CCN(C(=O)NC2CCCC2)[C@@H](CN)C1 ZINC000122663315 343160827 /nfs/dbraw/zinc/16/08/27/343160827.db2.gz ABVDXGYAJMFIOZ-NSHDSACASA-N 0 3 240.351 0.213 20 0 BCADHN COC[C@@H](NCc1cnnn1C)C1CC1 ZINC000121326502 343162969 /nfs/dbraw/zinc/16/29/69/343162969.db2.gz YRCCCNKATFOOMZ-SNVBAGLBSA-N 0 3 210.281 0.330 20 0 BCADHN CN(C)[C@]1(CNC(=O)C(C)(C)O)CCSC1 ZINC000427633890 259354687 /nfs/dbraw/zinc/35/46/87/259354687.db2.gz NQCORJYWEHDIMZ-NSHDSACASA-N 0 3 246.376 0.311 20 0 BCADHN OCc1ccc(CNCCCn2ccnn2)o1 ZINC000126392752 343169779 /nfs/dbraw/zinc/16/97/79/343169779.db2.gz ANGIRUMZTHDWHQ-UHFFFAOYSA-N 0 3 236.275 0.543 20 0 BCADHN Cc1cc(CNC(=O)[C@@H]2C[C@H](C)CCN2)no1 ZINC000127056099 343172058 /nfs/dbraw/zinc/17/20/58/343172058.db2.gz OMIMQQQKWIHOIQ-KCJUWKMLSA-N 0 3 237.303 0.987 20 0 BCADHN O=C(CNC1CC1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000125388528 343173134 /nfs/dbraw/zinc/17/31/34/343173134.db2.gz XOVOIXDVMPNJHD-AOOOYVTPSA-N 0 3 208.305 0.997 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N[C@@H]1C[C@H](O)C1(C)C ZINC000129303844 343176512 /nfs/dbraw/zinc/17/65/12/343176512.db2.gz PUINFPOQIOBCLE-AXFHLTTASA-N 0 3 242.363 0.992 20 0 BCADHN O=C(CNC1CC1)NCCCn1cccn1 ZINC000154086168 343198324 /nfs/dbraw/zinc/19/83/24/343198324.db2.gz DNNYELIBUNFNFY-UHFFFAOYSA-N 0 3 222.292 0.141 20 0 BCADHN CC(C)NC(=O)CCNC[C@@H](O)C(F)(F)F ZINC000163193641 343206178 /nfs/dbraw/zinc/20/61/78/343206178.db2.gz DYHSTTGDSRWTHO-SSDOTTSWSA-N 0 3 242.241 0.414 20 0 BCADHN CC(C)CNC(=O)CN[C@@H]1C[C@@H](O)C1(C)C ZINC000163443637 343206912 /nfs/dbraw/zinc/20/69/12/343206912.db2.gz MXAQEWQUQRIKKY-NXEZZACHSA-N 0 3 228.336 0.508 20 0 BCADHN Cn1cc(CCN2CC[C@@H](C(F)F)C2)nn1 ZINC000625273902 343213114 /nfs/dbraw/zinc/21/31/14/343213114.db2.gz JURCPNOMNBGOLU-MRVPVSSYSA-N 0 3 230.262 0.945 20 0 BCADHN CN(CCCn1ccnc1)CCc1cn(C)nn1 ZINC000625275565 343215396 /nfs/dbraw/zinc/21/53/96/343215396.db2.gz YRQIHZHAWWEZOH-UHFFFAOYSA-N 0 3 248.334 0.576 20 0 BCADHN C[C@@H](N[C@@H]1CCOC1(C)C)C(=O)NC1CC1 ZINC000332730834 343216041 /nfs/dbraw/zinc/21/60/41/343216041.db2.gz JZYPSAMPNIQSDC-PSASIEDQSA-N 0 3 226.320 0.811 20 0 BCADHN CCN1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC000051121428 346930819 /nfs/dbraw/zinc/93/08/19/346930819.db2.gz JIHGHSOHLRGERA-UHFFFAOYSA-N 0 3 235.331 0.523 20 0 BCADHN O=C(CCc1cccnc1)NC[C@@H]1CNCCO1 ZINC000134257026 343193871 /nfs/dbraw/zinc/19/38/71/343193871.db2.gz HOTFBERMQHJSBR-LBPRGKRZSA-N 0 3 249.314 0.119 20 0 BCADHN CNC(=O)CCN1CCN(CC(C)C)CC1 ZINC000046503353 343225893 /nfs/dbraw/zinc/22/58/93/343225893.db2.gz NDQOSGFUADKVGO-UHFFFAOYSA-N 0 3 227.352 0.396 20 0 BCADHN COC[C@H](C)NCc1cc(C(N)=O)cs1 ZINC000086573550 136281000 /nfs/dbraw/zinc/28/10/00/136281000.db2.gz XTJDHLREZQYDMM-ZETCQYMHSA-N 0 3 228.317 0.972 20 0 BCADHN C[C@@H](CO)[C@H](C)NCC(=O)NCC(C)(C)C ZINC000625324943 343232912 /nfs/dbraw/zinc/23/29/12/343232912.db2.gz CZEWYWKICGJVCY-UWVGGRQHSA-N 0 3 230.352 0.755 20 0 BCADHN COc1cncc(CN[C@@H](C)[C@H]2CCOC2)n1 ZINC000625326549 343233463 /nfs/dbraw/zinc/23/34/63/343233463.db2.gz QRLXUDCIILCSFE-UWVGGRQHSA-N 0 3 237.303 1.000 20 0 BCADHN CC1(C)CN(C[C@H]2CNCCO2)CCO1 ZINC000043802313 488208329 /nfs/dbraw/zinc/20/83/29/488208329.db2.gz MBTGRESCHYLDAO-SNVBAGLBSA-N 0 3 214.309 0.086 20 0 BCADHN NC1(C(=O)N2CCCSCC2)CCC1 ZINC000088050813 136284121 /nfs/dbraw/zinc/28/41/21/136284121.db2.gz YJMZZZLHTUUOHL-UHFFFAOYSA-N 0 3 214.334 0.833 20 0 BCADHN COC[C@@H](O)CN1CCCO[C@@H](C)C1 ZINC000068891272 343251677 /nfs/dbraw/zinc/25/16/77/343251677.db2.gz GZHRKPQUAVVJNJ-UWVGGRQHSA-N 0 3 203.282 0.105 20 0 BCADHN CC[C@H](N)c1cn(Cc2cc(C)ncn2)nn1 ZINC000641043321 362153971 /nfs/dbraw/zinc/15/39/71/362153971.db2.gz PNSJCCRKVYPBBR-JTQLQIEISA-N 0 3 232.291 0.835 20 0 BCADHN CC(C)OC[C@@H](O)CN(C)C[C@@H](C)O ZINC000069661074 343287552 /nfs/dbraw/zinc/28/75/52/343287552.db2.gz OLYITSWMNZJHIG-ZJUUUORDSA-N 0 3 205.298 0.085 20 0 BCADHN CC[C@H](N)c1cn(Cc2cc[nH]n2)nn1 ZINC000641050102 362157800 /nfs/dbraw/zinc/15/78/00/362157800.db2.gz YFKBBSXQSPTUAS-QMMMGPOBSA-N 0 3 206.253 0.459 20 0 BCADHN COC[C@@H](O)CN1CCSC[C@@H]1C ZINC000069761335 343290995 /nfs/dbraw/zinc/29/09/95/343290995.db2.gz PYBMFMLKSAHEGV-IUCAKERBSA-N 0 3 205.323 0.431 20 0 BCADHN CCN(C[C@H]1CNCCO1)CC(F)(F)F ZINC000043803003 488210271 /nfs/dbraw/zinc/21/02/71/488210271.db2.gz SPBWOZWXUOWPOF-MRVPVSSYSA-N 0 3 226.242 0.859 20 0 BCADHN COC[C@@](C)(CCO)NCc1ccc(=O)[nH]c1 ZINC000631086420 343264973 /nfs/dbraw/zinc/26/49/73/343264973.db2.gz XUICKQNQSFKBSK-GFCCVEGCSA-N 0 3 240.303 0.664 20 0 BCADHN OC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000034372774 343268937 /nfs/dbraw/zinc/26/89/37/343268937.db2.gz JSZNWUQCOLGFNL-VXGBXAGGSA-N 0 3 207.273 0.614 20 0 BCADHN CC[C@@](C)(N)c1cn([C@@H]2CCCNC2=O)nn1 ZINC000641052166 362161593 /nfs/dbraw/zinc/16/15/93/362161593.db2.gz QOYSQSRQQFLLCK-LDYMZIIASA-N 0 3 237.307 0.313 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000083941686 136287707 /nfs/dbraw/zinc/28/77/07/136287707.db2.gz JKZFCAKVDTVCJO-MRVPVSSYSA-N 0 3 241.335 0.239 20 0 BCADHN CCC[C@H](N)c1cn(Cc2c[nH]nn2)nn1 ZINC000641056303 362165485 /nfs/dbraw/zinc/16/54/85/362165485.db2.gz DTEDYPNTZVEEJD-QMMMGPOBSA-N 0 3 221.268 0.244 20 0 BCADHN CCc1cnc(Cn2cc(CCN(C)C)nn2)o1 ZINC000641056550 362165747 /nfs/dbraw/zinc/16/57/47/362165747.db2.gz LBCIYOYVUMENRV-UHFFFAOYSA-N 0 3 249.318 0.981 20 0 BCADHN CC(C)[C@H](N)c1cn(Cc2c[nH]nn2)nn1 ZINC000641056765 362166418 /nfs/dbraw/zinc/16/64/18/362166418.db2.gz PYKDFRNGVHMBHG-VIFPVBQESA-N 0 3 221.268 0.100 20 0 BCADHN COC[C@@H](C)N1CCC(C(=O)OC)CC1 ZINC000070378421 343328328 /nfs/dbraw/zinc/32/83/28/343328328.db2.gz YVTQCHOKDYLSDV-SECBINFHSA-N 0 3 215.293 0.906 20 0 BCADHN Cc1ccc(NC(=O)[C@@H](C)N)cc1-n1cnnn1 ZINC000037002826 343329994 /nfs/dbraw/zinc/32/99/94/343329994.db2.gz RQCRILISOLYPRG-MRVPVSSYSA-N 0 3 246.274 0.256 20 0 BCADHN Cc1c([C@H](C)NC(=O)[C@@H](N)C(C)C)cnn1C ZINC000037001388 343330092 /nfs/dbraw/zinc/33/00/92/343330092.db2.gz OAUROUWMNQNUNE-KWQFWETISA-N 0 3 238.335 0.889 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000037002748 343330191 /nfs/dbraw/zinc/33/01/91/343330191.db2.gz MCNBRPJUKOARMT-ZETCQYMHSA-N 0 3 233.271 0.857 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCO[C@H](C)C1 ZINC000069861778 343293136 /nfs/dbraw/zinc/29/31/36/343293136.db2.gz MLEPVELJFXLECT-NXEZZACHSA-N 0 3 214.309 0.670 20 0 BCADHN CSCC[C@@H](CO)NC[C@@H](O)C(F)(F)F ZINC000569845740 323042386 /nfs/dbraw/zinc/04/23/86/323042386.db2.gz NYBAIWSWPBENRV-NKWVEPMBSA-N 0 3 247.282 0.613 20 0 BCADHN COCCN1CC[C@@H](NC(=O)C2=CCCC2)C1 ZINC000348768348 136298160 /nfs/dbraw/zinc/29/81/60/136298160.db2.gz IXQWAGRDNWVEGD-GFCCVEGCSA-N 0 3 238.331 0.934 20 0 BCADHN C[C@H](CO)NCc1cccc(C(N)=O)c1 ZINC000035604692 343300157 /nfs/dbraw/zinc/30/01/57/343300157.db2.gz XCIMZKRNBYEQHW-MRVPVSSYSA-N 0 3 208.261 0.256 20 0 BCADHN CC(C)[C@H](N)c1cn([C@H]2CCCNC2=O)nn1 ZINC000641052937 362162460 /nfs/dbraw/zinc/16/24/60/362162460.db2.gz WOYCHVWPXWBZLB-UWVGGRQHSA-N 0 3 237.307 0.385 20 0 BCADHN CCN(Cc1cnn(CCOC)c1)C[C@@H](C)O ZINC000348714330 136294433 /nfs/dbraw/zinc/29/44/33/136294433.db2.gz YJZDBNCQTDPQQM-LLVKDONJSA-N 0 3 241.335 0.732 20 0 BCADHN CCC[C@H](N)c1cn(Cc2cn(C)cn2)nn1 ZINC000641053242 362163144 /nfs/dbraw/zinc/16/31/44/362163144.db2.gz CRGDBUVSBYHLSI-JTQLQIEISA-N 0 3 234.307 0.860 20 0 BCADHN CC[C@H]1CN(C)CCN1CC1(C(=O)OC)CC1 ZINC000584049533 343307085 /nfs/dbraw/zinc/30/70/85/343307085.db2.gz PKCCBWPSGTZQGY-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](CO)NCc1cccc2c1OCCO2 ZINC000036168460 343311335 /nfs/dbraw/zinc/31/13/35/343311335.db2.gz QNLZJMQANSYWQU-VIFPVBQESA-N 0 3 223.272 0.928 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)C1CC(C)(O)C1 ZINC000335615121 136295873 /nfs/dbraw/zinc/29/58/73/136295873.db2.gz BKQCFZFMLCZSML-QWKFWESOSA-N 0 3 240.347 0.700 20 0 BCADHN CN(C)c1ccc(NC(=O)[C@H]2C[C@H](O)CN2)cc1 ZINC000036335570 343316308 /nfs/dbraw/zinc/31/63/08/343316308.db2.gz IEWUHNLSKGVBHS-NWDGAFQWSA-N 0 3 249.314 0.414 20 0 BCADHN CN(C)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2)cc1 ZINC000036335572 343316355 /nfs/dbraw/zinc/31/63/55/343316355.db2.gz IEWUHNLSKGVBHS-VXGBXAGGSA-N 0 3 249.314 0.414 20 0 BCADHN C[C@@H](CNS(C)(=O)=O)CN1CCCCC1 ZINC000070263064 343317876 /nfs/dbraw/zinc/31/78/76/343317876.db2.gz GPFQYMZAXPMOIT-JTQLQIEISA-N 0 3 234.365 0.658 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)CNC(C)C ZINC000037823529 343357118 /nfs/dbraw/zinc/35/71/18/343357118.db2.gz YRQPALHHUQEITH-SECBINFHSA-N 0 3 230.308 0.252 20 0 BCADHN CCOc1cccc(CNC[C@H](O)CO)c1 ZINC000037894598 343359776 /nfs/dbraw/zinc/35/97/76/343359776.db2.gz HYEUHVSVSKSBMB-NSHDSACASA-N 0 3 225.288 0.528 20 0 BCADHN CCNC(=O)NC(=O)CN1C[C@@H](C)C[C@H]1CC ZINC000075021270 343360057 /nfs/dbraw/zinc/36/00/57/343360057.db2.gz OLQBWCLVMBZEFX-VHSXEESVSA-N 0 3 241.335 0.953 20 0 BCADHN CO[C@@]1(C)CCCN(CCc2cn(C)nn2)C1 ZINC000625380291 343368131 /nfs/dbraw/zinc/36/81/31/343368131.db2.gz DHVVSHYPDSQOGD-LBPRGKRZSA-N 0 3 238.335 0.859 20 0 BCADHN NCC(=O)NC[C@H]1CC12CCSCC2 ZINC000335632113 136300186 /nfs/dbraw/zinc/30/01/86/136300186.db2.gz RRWMNRRVDSTFNL-MRVPVSSYSA-N 0 3 214.334 0.595 20 0 BCADHN O=C(N[C@H]1CC[C@@H](F)C1)N1CCCNCC1 ZINC000335631935 136300231 /nfs/dbraw/zinc/30/02/31/136300231.db2.gz CWADCVMDJSLHTA-ZJUUUORDSA-N 0 3 229.299 0.882 20 0 BCADHN 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/nfs/dbraw/zinc/75/69/19/365756919.db2.gz GGVBGRRBNFAHFJ-RCZSTQMZSA-N 0 3 236.315 0.407 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1COc2ccccc2C1 ZINC000083905404 343508746 /nfs/dbraw/zinc/50/87/46/343508746.db2.gz GWMZQDCAOPPZQX-LBPRGKRZSA-N 0 3 246.310 0.858 20 0 BCADHN CCN(Cc1ccccn1)C(=O)[C@H](C)N ZINC000083914240 343509078 /nfs/dbraw/zinc/50/90/78/343509078.db2.gz KDMQGSQNGPAUEB-VIFPVBQESA-N 0 3 207.277 0.777 20 0 BCADHN CNCC(=O)Nc1cccc2c1OCCO2 ZINC000083958674 343511573 /nfs/dbraw/zinc/51/15/73/343511573.db2.gz QESXEFADONSJJD-UHFFFAOYSA-N 0 3 222.244 0.616 20 0 BCADHN CC(C(N)=O)S(=O)(=O)Cc1ccccc1F ZINC000046107342 343539736 /nfs/dbraw/zinc/53/97/36/343539736.db2.gz UZLOHPYHKWZRJR-SSDOTTSWSA-N 0 3 245.275 0.614 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)CC(C)(C)O ZINC000135032770 343499828 /nfs/dbraw/zinc/49/98/28/343499828.db2.gz DJIDBCBCDRTNHJ-SECBINFHSA-N 0 3 233.308 0.003 20 0 BCADHN CN(C[C@@H]1CCCOC1)C(=O)C1(N)CC1 ZINC000083836180 343503727 /nfs/dbraw/zinc/50/37/27/343503727.db2.gz XOJOHLZOYQQRMY-VIFPVBQESA-N 0 3 212.293 0.363 20 0 BCADHN NC1(C(=O)NCCOCC(F)(F)F)CC1 ZINC000083836228 343503823 /nfs/dbraw/zinc/50/38/23/343503823.db2.gz AQJXTVPNQACQHV-UHFFFAOYSA-N 0 3 226.198 0.173 20 0 BCADHN CCN(C#N)CCN1C[C@H](C)[C@](C)(CO)C1 ZINC000602902374 349816856 /nfs/dbraw/zinc/81/68/56/349816856.db2.gz IHDNMLIBNVUZMY-RYUDHWBXSA-N 0 3 225.336 0.740 20 0 BCADHN Cc1cc(C(=O)NCC2(N(C)C)CC2)n(C)n1 ZINC000622721270 343573709 /nfs/dbraw/zinc/57/37/09/343573709.db2.gz JLBXPKZEMKFXCZ-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN CN(C)C1(CNC(=O)C2CCC(O)CC2)CC1 ZINC000622721280 343573788 /nfs/dbraw/zinc/57/37/88/343573788.db2.gz JWGBLYOGTRMCKN-UHFFFAOYSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1nnsc1C(=O)NCC1(N(C)C)CC1 ZINC000622721541 343574199 /nfs/dbraw/zinc/57/41/99/343574199.db2.gz VWAKWUQKNZITCN-UHFFFAOYSA-N 0 3 240.332 0.671 20 0 BCADHN CN(C)C1(CNC(=O)Cc2cncn2C)CC1 ZINC000622721444 343574554 /nfs/dbraw/zinc/57/45/54/343574554.db2.gz RBRKIBFQOIVYBC-UHFFFAOYSA-N 0 3 236.319 0.173 20 0 BCADHN CN(C)C1(CNC(=O)c2cnn(C)c2)CC1 ZINC000622721511 343574594 /nfs/dbraw/zinc/57/45/94/343574594.db2.gz ULAOPNYUXJHLJT-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN CC(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC000622724663 343575276 /nfs/dbraw/zinc/57/52/76/343575276.db2.gz JJBNYKIVRNGRTI-NSHDSACASA-N 0 3 241.335 0.064 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)c1cnccn1 ZINC000622728048 343578427 /nfs/dbraw/zinc/57/84/27/343578427.db2.gz PBEYWCJODACCNS-SNVBAGLBSA-N 0 3 234.303 0.643 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCOCCO ZINC000570156951 323051172 /nfs/dbraw/zinc/05/11/72/323051172.db2.gz YRGRGUNBFMTUPS-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN CN(C)S(=O)(=O)CCNC1(C2CC2)CC1 ZINC000379960948 365765505 /nfs/dbraw/zinc/76/55/05/365765505.db2.gz WYJGTKMTICZWNG-UHFFFAOYSA-N 0 3 232.349 0.410 20 0 BCADHN C[C@@H](CCCC[NH3+])NC(=O)c1c[n-]nn1 ZINC000379959208 365765947 /nfs/dbraw/zinc/76/59/47/365765947.db2.gz GGECPPFKFMXIND-ZETCQYMHSA-N 0 3 211.269 0.052 20 0 BCADHN C[C@@H](CCCC[NH3+])NC(=O)c1cnn[n-]1 ZINC000379959208 365765952 /nfs/dbraw/zinc/76/59/52/365765952.db2.gz GGECPPFKFMXIND-ZETCQYMHSA-N 0 3 211.269 0.052 20 0 BCADHN C[C@@H](CCCC[NH3+])NC(=O)c1cn[n-]n1 ZINC000379959208 365765955 /nfs/dbraw/zinc/76/59/55/365765955.db2.gz GGECPPFKFMXIND-ZETCQYMHSA-N 0 3 211.269 0.052 20 0 BCADHN OC[C@H](CNCC1(F)CC1)[C@H]1CCOC1 ZINC000379962774 365767255 /nfs/dbraw/zinc/76/72/55/365767255.db2.gz XOYIMCSMGPNZCA-UWVGGRQHSA-N 0 3 217.284 0.723 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cncc(F)c1 ZINC000230941759 343562814 /nfs/dbraw/zinc/56/28/14/343562814.db2.gz KZEHOITUFAIPLT-ZETCQYMHSA-N 0 3 211.240 0.574 20 0 BCADHN C[C@H](O)CNC(=O)NC1CCN(C2CC2)CC1 ZINC000047674204 343564539 /nfs/dbraw/zinc/56/45/39/343564539.db2.gz KRJWGZYPUYKIRD-VIFPVBQESA-N 0 3 241.335 0.293 20 0 BCADHN CCc1nc(CCNC(=O)C(C)(C)N)no1 ZINC000494868417 529733535 /nfs/dbraw/zinc/73/35/35/529733535.db2.gz MOWJSILJPNCRBN-UHFFFAOYSA-N 0 3 226.280 0.028 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)c1csnn1 ZINC000622728078 343578073 /nfs/dbraw/zinc/57/80/73/343578073.db2.gz QKDBMWHLGZYJJK-MRVPVSSYSA-N 0 3 240.332 0.704 20 0 BCADHN CCCC[C@@H](C)N(C)c1nc(N)nc(N)n1 ZINC000624233994 343571015 /nfs/dbraw/zinc/57/10/15/343571015.db2.gz LYLFLXDFXIWCFE-SSDOTTSWSA-N 0 3 224.312 0.712 20 0 BCADHN C[C@H](N[C@@H]1CCOC[C@H]1O)c1cn[nH]c1 ZINC000624237607 343584208 /nfs/dbraw/zinc/58/42/08/343584208.db2.gz AAMRGPJBPKVRNA-FXBDTBDDSA-N 0 3 211.265 0.210 20 0 BCADHN C[C@H](CCNCc1cn[nH]c1)[S@@](C)=O ZINC000379617221 343586069 /nfs/dbraw/zinc/58/60/69/343586069.db2.gz AGAYZFNVWYYXAO-XLKFXECMSA-N 0 3 215.322 0.656 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@H](C)NC1CC1 ZINC000379977885 365773831 /nfs/dbraw/zinc/77/38/31/365773831.db2.gz TUWITBVJFLKRAL-QMMMGPOBSA-N 0 3 222.292 0.475 20 0 BCADHN COC[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000580568671 365775042 /nfs/dbraw/zinc/77/50/42/365775042.db2.gz NDRRUMMSORDOCM-VXGBXAGGSA-N 0 3 240.347 0.823 20 0 BCADHN CCN(CC)CC(=O)N(C)CC1CN(C)C1 ZINC000618192932 343589469 /nfs/dbraw/zinc/58/94/69/343589469.db2.gz CMNYMCFFPITRJL-UHFFFAOYSA-N 0 3 227.352 0.348 20 0 BCADHN C[C@H](Cn1cccn1)NCC(=O)N(C)C1CC1 ZINC000049305277 343595330 /nfs/dbraw/zinc/59/53/30/343595330.db2.gz PYFBXBXADQMCMJ-SNVBAGLBSA-N 0 3 236.319 0.482 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)c1c[nH]cn1 ZINC000622729326 343580202 /nfs/dbraw/zinc/58/02/02/343580202.db2.gz WPJGPCHOBYDNLF-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)c1cncnc1 ZINC000622728925 343580292 /nfs/dbraw/zinc/58/02/92/343580292.db2.gz NRFQNQMOTLWBBS-NSHDSACASA-N 0 3 234.303 0.643 20 0 BCADHN C[C@H]1CCCC[C@H]1N(C)CC(=O)NC(N)=O ZINC000192624677 365783287 /nfs/dbraw/zinc/78/32/87/365783287.db2.gz IJINDMRZTQEXAD-DTWKUNHWSA-N 0 3 227.308 0.692 20 0 BCADHN C[C@H](O)C1(NC(=O)CC2CCN(C)CC2)CC1 ZINC000620063098 343619287 /nfs/dbraw/zinc/61/92/87/343619287.db2.gz CUJKLWWEKILGAX-JTQLQIEISA-N 0 3 240.347 0.748 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)OC ZINC000052395804 343600638 /nfs/dbraw/zinc/60/06/38/343600638.db2.gz SZOWATHUWCYGCN-DTWKUNHWSA-N 0 3 230.308 0.298 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000052395803 343600839 /nfs/dbraw/zinc/60/08/39/343600839.db2.gz SZOWATHUWCYGCN-IUCAKERBSA-N 0 3 230.308 0.298 20 0 BCADHN CC(C)CN(C)C(=O)C(C)S(C)(=O)=O ZINC000049673227 343604855 /nfs/dbraw/zinc/60/48/55/343604855.db2.gz DPLNQGFXMAMOJA-MRVPVSSYSA-N 0 3 221.322 0.534 20 0 BCADHN CCS(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247252459 343608616 /nfs/dbraw/zinc/60/86/16/343608616.db2.gz NPNWOSBRCIZNGF-ZJUUUORDSA-N 0 3 232.349 0.505 20 0 BCADHN CC(C)[C@H](CO)N[C@H]1CCCS(=O)(=O)C1 ZINC000086122341 343610869 /nfs/dbraw/zinc/61/08/69/343610869.db2.gz QEGUKJHYVXQBKV-UWVGGRQHSA-N 0 3 235.349 0.170 20 0 BCADHN CCOCCN1CCC[C@H](OCCO)C1 ZINC000172101026 323053619 /nfs/dbraw/zinc/05/36/19/323053619.db2.gz MHILMKNPSRFQTK-NSHDSACASA-N 0 3 217.309 0.496 20 0 BCADHN CC(C)[C@@H](CO)NC[C@@H](O)C(F)(F)F ZINC000086123831 343611112 /nfs/dbraw/zinc/61/11/12/343611112.db2.gz CSPTVIQPYWVQLH-RNFRBKRXSA-N 0 3 215.215 0.516 20 0 BCADHN CC(C)[C@H](CO)NC[C@@H](O)C(F)(F)F ZINC000086123834 343611182 /nfs/dbraw/zinc/61/11/82/343611182.db2.gz CSPTVIQPYWVQLH-NKWVEPMBSA-N 0 3 215.215 0.516 20 0 BCADHN Cc1cc(CN[C@@H](CO)C(C)C)n(C)n1 ZINC000086124553 343611654 /nfs/dbraw/zinc/61/16/54/343611654.db2.gz CAVMIHQMNDVEJL-NSHDSACASA-N 0 3 211.309 0.835 20 0 BCADHN CC[C@@H](O)CNCc1c(C)nn(C)c1C ZINC000086110176 343612212 /nfs/dbraw/zinc/61/22/12/343612212.db2.gz YLWHXHPIBZKFHH-SNVBAGLBSA-N 0 3 211.309 0.897 20 0 BCADHN COCCNCC(=O)NC1(C)CCCC1 ZINC000086158133 343612658 /nfs/dbraw/zinc/61/26/58/343612658.db2.gz CXXJVHOVXBOFLQ-UHFFFAOYSA-N 0 3 214.309 0.671 20 0 BCADHN COC(=O)CN(C)C[C@H]1CCCN1C ZINC000086189017 343614135 /nfs/dbraw/zinc/61/41/35/343614135.db2.gz WRNULLIVJITIEJ-SECBINFHSA-N 0 3 200.282 0.185 20 0 BCADHN C[C@@H]1C[C@H](C)CN1CC(=O)N1CCN(C)CC1 ZINC000335868400 344035813 /nfs/dbraw/zinc/03/58/13/344035813.db2.gz ACXLKFKPGSDTKK-NWDGAFQWSA-N 0 3 239.363 0.491 20 0 BCADHN CC[C@@H](NC(=O)CNC(C)C)C(=O)OC ZINC000379787743 343626230 /nfs/dbraw/zinc/62/62/30/343626230.db2.gz WDSVVFAEERUWAZ-MRVPVSSYSA-N 0 3 216.281 0.052 20 0 BCADHN CCOC(=O)CCN1C[C@H](OC)C[C@@]1(C)CO ZINC000602963891 349826407 /nfs/dbraw/zinc/82/64/07/349826407.db2.gz JQNNJCBSWAQXKT-PWSUYJOCSA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)CCCN1C[C@@H](OC)C[C@@]1(C)CO ZINC000602963772 349826441 /nfs/dbraw/zinc/82/64/41/349826441.db2.gz IKBJSIFKMUWERP-JQWIXIFHSA-N 0 3 245.319 0.411 20 0 BCADHN Cc1ncc(CNCCC(=O)N(C)C)n1C ZINC000580583227 365793419 /nfs/dbraw/zinc/79/34/19/365793419.db2.gz SFVXKIGDGPUAII-UHFFFAOYSA-N 0 3 224.308 0.296 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)OCC2CC2)C1 ZINC000496612062 529800723 /nfs/dbraw/zinc/80/07/23/529800723.db2.gz ZXORQDBDEPEBQE-LLVKDONJSA-N 0 3 228.292 0.189 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@H]1CCOC1 ZINC000087785392 343661271 /nfs/dbraw/zinc/66/12/71/343661271.db2.gz YKLMMUCNGBSNKW-IUCAKERBSA-N 0 3 200.282 0.265 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc[nH]c1=O ZINC000057553129 343690825 /nfs/dbraw/zinc/69/08/25/343690825.db2.gz MZIUFNWJVYYKPZ-SECBINFHSA-N 0 3 247.298 0.341 20 0 BCADHN O=c1ccc(CN[C@]2(CO)CCOC2)c[nH]1 ZINC000631111604 343693238 /nfs/dbraw/zinc/69/32/38/343693238.db2.gz QCKHYNZCBRTXAP-NSHDSACASA-N 0 3 224.260 0.028 20 0 BCADHN CC[C@]1(O)CCCN(C[C@@](C)(O)C(=O)OC)C1 ZINC000602983549 349836541 /nfs/dbraw/zinc/83/65/41/349836541.db2.gz MXNGLLDFJFBVBB-NEPJUHHUSA-N 0 3 245.319 0.147 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1C[C@@H](C)O[C@H]1C ZINC000384621080 343699395 /nfs/dbraw/zinc/69/93/95/343699395.db2.gz PYVKTVJYPLYTLL-KATARQTJSA-N 0 3 214.309 0.652 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620147971 343686358 /nfs/dbraw/zinc/68/63/58/343686358.db2.gz YAGBJYLJXNRCJZ-NEPJUHHUSA-N 0 3 240.347 0.823 20 0 BCADHN COc1nccc(CN[C@H]2CCC[C@@H]2O)n1 ZINC000395119791 362250039 /nfs/dbraw/zinc/25/00/39/362250039.db2.gz JMTWYNZBJFLGQR-UWVGGRQHSA-N 0 3 223.276 0.488 20 0 BCADHN Cc1nc[nH]c1CNC(=O)C1(N)CCC1 ZINC000380243602 343711124 /nfs/dbraw/zinc/71/11/24/343711124.db2.gz WOHRVCHEWUQRLC-UHFFFAOYSA-N 0 3 208.265 0.216 20 0 BCADHN CN1C[C@H](CN2CCC[C@@H](CO)C2)OC1=O ZINC000496429752 529825195 /nfs/dbraw/zinc/82/51/95/529825195.db2.gz KHAOJBXAFXSPSG-NXEZZACHSA-N 0 3 228.292 0.141 20 0 BCADHN CC1(C)COC[C@H]1NCC(=O)N1CCCC1 ZINC000312990612 343711305 /nfs/dbraw/zinc/71/13/05/343711305.db2.gz WVPXBCFUTOKLIO-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CN1C[C@H](CN2CCC(C)(CO)CC2)OC1=O ZINC000495589470 529825345 /nfs/dbraw/zinc/82/53/45/529825345.db2.gz AKLRMHWZZJDECU-SNVBAGLBSA-N 0 3 242.319 0.531 20 0 BCADHN CN1C[C@H](CN2CCC[C@@]2(C)CO)OC1=O ZINC000495797039 529825403 /nfs/dbraw/zinc/82/54/03/529825403.db2.gz ZYVOJCLUVVECOK-KOLCDFICSA-N 0 3 228.292 0.284 20 0 BCADHN CN1C[C@H](CN2CCC[C@H](O)CC2)OC1=O ZINC000496119621 529825801 /nfs/dbraw/zinc/82/58/01/529825801.db2.gz FQUCZNOFALCRFT-VHSXEESVSA-N 0 3 228.292 0.284 20 0 BCADHN COCC[C@@H](COC)NCc1ccc(=O)[nH]c1 ZINC000631140363 343712956 /nfs/dbraw/zinc/71/29/56/343712956.db2.gz NHEBNGPPIIIIRS-NSHDSACASA-N 0 3 240.303 0.928 20 0 BCADHN CN1C[C@H](CN2CC[C@H](O)C2(C)C)OC1=O ZINC000497041456 529826001 /nfs/dbraw/zinc/82/60/01/529826001.db2.gz VBUOXBRCYHYJAP-BDAKNGLRSA-N 0 3 228.292 0.282 20 0 BCADHN CCN1CCC(NC(=O)[C@@H]2COCCO2)CC1 ZINC000048130636 343713681 /nfs/dbraw/zinc/71/36/81/343713681.db2.gz YDLLLYFZCNVONL-NSHDSACASA-N 0 3 242.319 0.002 20 0 BCADHN CN1C[C@H](CN[C@@H]2C[C@@H](O)C2(C)C)OC1=O ZINC000496600249 529826394 /nfs/dbraw/zinc/82/63/94/529826394.db2.gz NNVMQAPGDIXQEE-DJLDLDEBSA-N 0 3 228.292 0.186 20 0 BCADHN CN(CC(=O)N1CCC1)C[C@H]1CCOC1 ZINC000494548441 529827018 /nfs/dbraw/zinc/82/70/18/529827018.db2.gz YUUIMGFYUZLWFP-SNVBAGLBSA-N 0 3 212.293 0.187 20 0 BCADHN CC(C(=O)NCCC(C)(C)C)S(C)(=O)=O ZINC000048152584 343715822 /nfs/dbraw/zinc/71/58/22/343715822.db2.gz HMQJJYJLVQRHCN-QMMMGPOBSA-N 0 3 235.349 0.972 20 0 BCADHN C[C@@H](NCCN1CC[C@H](O)C1)c1ccco1 ZINC000624333748 343716118 /nfs/dbraw/zinc/71/61/18/343716118.db2.gz WOEHJHABCLQCHD-MNOVXSKESA-N 0 3 224.304 0.997 20 0 BCADHN CN1CCCC[C@@H](CNS(C)(=O)=O)C1 ZINC000625420717 343722408 /nfs/dbraw/zinc/72/24/08/343722408.db2.gz QENQZCSKDRFGSD-VIFPVBQESA-N 0 3 220.338 0.268 20 0 BCADHN CC(C)n1cc(CNC[C@](C)(O)CO)cn1 ZINC000232782694 537807220 /nfs/dbraw/zinc/80/72/20/537807220.db2.gz BDWWIMFEOKQAOA-NSHDSACASA-N 0 3 227.308 0.297 20 0 BCADHN C[C@H](O)[C@H](C)NC[C@H]1CCCCS1(=O)=O ZINC000570391140 323058097 /nfs/dbraw/zinc/05/80/97/323058097.db2.gz WJOMRXSUIFTFIO-LPEHRKFASA-N 0 3 235.349 0.313 20 0 BCADHN CN(CCOC1CCOCC1)C1(CO)CC1 ZINC000625426716 343727634 /nfs/dbraw/zinc/72/76/34/343727634.db2.gz WFVITDLDIGRELB-UHFFFAOYSA-N 0 3 229.320 0.639 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)COC ZINC000089635002 343748052 /nfs/dbraw/zinc/74/80/52/343748052.db2.gz QFYQDWLMBZUAHG-DTWKUNHWSA-N 0 3 223.338 0.434 20 0 BCADHN CC[C@H]1CN(C)CCN1CCc1cn(C)nn1 ZINC000625451260 343777631 /nfs/dbraw/zinc/77/76/31/343777631.db2.gz HOWWOPOJXIHOHP-LBPRGKRZSA-N 0 3 237.351 0.384 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@](C)(O)C1)N(C)C ZINC000178740483 346964548 /nfs/dbraw/zinc/96/45/48/346964548.db2.gz CQBZVVMWRHSXGP-MWLCHTKSSA-N 0 3 214.309 0.310 20 0 BCADHN CC[C@@H](COC)NCC(=O)NCc1ccco1 ZINC000128191162 343763112 /nfs/dbraw/zinc/76/31/12/343763112.db2.gz QJNRJOBSUNUTCV-JTQLQIEISA-N 0 3 240.303 0.910 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H](CCO)C1 ZINC000061678808 343764818 /nfs/dbraw/zinc/76/48/18/343764818.db2.gz OGOYDVNRNOGGIA-NXEZZACHSA-N 0 3 214.309 0.345 20 0 BCADHN COC[C@H](C)N1CCN(c2ncc[nH]2)CC1 ZINC000584149649 343765123 /nfs/dbraw/zinc/76/51/23/343765123.db2.gz HFIKRKTUUWXORM-JTQLQIEISA-N 0 3 224.308 0.567 20 0 BCADHN CCOC(=O)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC000150826255 349862595 /nfs/dbraw/zinc/86/25/95/349862595.db2.gz UGBCSMCSDPXJEZ-LLVKDONJSA-N 0 3 244.335 0.594 20 0 BCADHN COC(=O)CC1(CN2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000603085820 349864774 /nfs/dbraw/zinc/86/47/74/349864774.db2.gz HNQQXVABNZGAJC-BXKDBHETSA-N 0 3 225.288 0.396 20 0 BCADHN COCC1(NC(=O)NC[C@H](C)N(C)C)CC1 ZINC000570415418 323059143 /nfs/dbraw/zinc/05/91/43/323059143.db2.gz XGMSSUUTJQRKEA-VIFPVBQESA-N 0 3 229.324 0.415 20 0 BCADHN COCCO[C@H]1CCCN(CCCO)C1 ZINC000179296306 346980654 /nfs/dbraw/zinc/98/06/54/346980654.db2.gz OWNOILWFGKIMLQ-NSHDSACASA-N 0 3 217.309 0.496 20 0 BCADHN C[C@@H]1C[C@H](C)N(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000418755154 192066514 /nfs/dbraw/zinc/06/65/14/192066514.db2.gz BQHBAVTYFGCRQR-VWYCJHECSA-N 0 3 241.335 0.415 20 0 BCADHN CN(CCc1cn(C)nn1)CC(C)(C)CO ZINC000625451904 343828036 /nfs/dbraw/zinc/82/80/36/343828036.db2.gz GSEGHIZIICUNRF-UHFFFAOYSA-N 0 3 226.324 0.308 20 0 BCADHN CN(CCCCO)C[C@@H]1CN(C)C(=O)O1 ZINC000497117170 529884924 /nfs/dbraw/zinc/88/49/24/529884924.db2.gz ZGDJRHNLNRIJMY-SECBINFHSA-N 0 3 216.281 0.141 20 0 BCADHN CC(C)[C@H](C)N(C)C(=O)NC[C@@H]1CNCCO1 ZINC000418760766 192066824 /nfs/dbraw/zinc/06/68/24/192066824.db2.gz HHIXJCCYFOBMMJ-QWRGUYRKSA-N 0 3 243.351 0.661 20 0 BCADHN CN(CCNC(=O)c1cc[nH]c1)C1CC1 ZINC000068306900 362251476 /nfs/dbraw/zinc/25/14/76/362251476.db2.gz PFPXSVVMFUGULA-UHFFFAOYSA-N 0 3 207.277 0.839 20 0 BCADHN CC(C)[C@@H](C)N(C)C(=O)NC[C@@H]1CNCCO1 ZINC000418760765 192066852 /nfs/dbraw/zinc/06/68/52/192066852.db2.gz HHIXJCCYFOBMMJ-MNOVXSKESA-N 0 3 243.351 0.661 20 0 BCADHN CNC(=O)OC[C@@H]1CCCCN1C[C@@H](C)O ZINC000496071334 529892250 /nfs/dbraw/zinc/89/22/50/529892250.db2.gz XJFFDLUWTWEOAR-ZJUUUORDSA-N 0 3 230.308 0.578 20 0 BCADHN C[C@H]1C[C@@H](CO)CN(CCc2cn(C)nn2)C1 ZINC000625477546 343881058 /nfs/dbraw/zinc/88/10/58/343881058.db2.gz GOUWFSRHRNRPSD-WDEREUQCSA-N 0 3 238.335 0.308 20 0 BCADHN C[C@@H]1C[C@H](CO)CN(CCc2cn(C)nn2)C1 ZINC000625477543 343881278 /nfs/dbraw/zinc/88/12/78/343881278.db2.gz GOUWFSRHRNRPSD-MNOVXSKESA-N 0 3 238.335 0.308 20 0 BCADHN CO[C@@H]1CCN(CCc2cn(C)nn2)C[C@@H]1C ZINC000625457809 343860204 /nfs/dbraw/zinc/86/02/04/343860204.db2.gz QIUXCYXGOHFYJP-CMPLNLGQSA-N 0 3 238.335 0.714 20 0 BCADHN COCCN(C)C[C@@H](O)Cn1ccnc1C ZINC000309241192 347000997 /nfs/dbraw/zinc/00/09/97/347000997.db2.gz KULPNJVNAVGOFU-LLVKDONJSA-N 0 3 227.308 0.131 20 0 BCADHN COCCOC[C@@H](O)CNCC(C)(C)F ZINC000634723586 343891337 /nfs/dbraw/zinc/89/13/37/343891337.db2.gz YHDVZLARSILLKC-VIFPVBQESA-N 0 3 223.288 0.348 20 0 BCADHN CC[C@@H](N)c1cn(CC2(C(=O)OC)CC2)nn1 ZINC000603224306 349888735 /nfs/dbraw/zinc/88/87/35/349888735.db2.gz OUXWKGSOXKVNBT-MRVPVSSYSA-N 0 3 238.291 0.641 20 0 BCADHN CC[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC000067572504 343898522 /nfs/dbraw/zinc/89/85/22/343898522.db2.gz IQYYWACEHAXLJN-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN O=c1ccccn1CCN1CCC[C@@H](CO)C1 ZINC000096832971 343906142 /nfs/dbraw/zinc/90/61/42/343906142.db2.gz DHPYPQYKUGBWQX-GFCCVEGCSA-N 0 3 236.315 0.553 20 0 BCADHN CN1CC[C@H](CNC(=O)c2cn(C3CC3)nn2)C1 ZINC000624484817 343907017 /nfs/dbraw/zinc/90/70/17/343907017.db2.gz DCSAKLWLTZNIDK-SECBINFHSA-N 0 3 249.318 0.295 20 0 BCADHN C[C@@H](CC[S@@](C)=O)NCc1cn[nH]c1 ZINC000393675949 343910017 /nfs/dbraw/zinc/91/00/17/343910017.db2.gz XGUMRPKKWHNXAK-RMLUDKJBSA-N 0 3 215.322 0.656 20 0 BCADHN CN1CC[C@H](N[C@H]2CCC[C@]2(C)CO)C1=O ZINC000309603545 343936361 /nfs/dbraw/zinc/93/63/61/343936361.db2.gz YDWYRTQMYZPQMM-JBLDHEPKSA-N 0 3 226.320 0.358 20 0 BCADHN CN1CC[C@H](N[C@H]2CCC[C@@]2(C)CO)C1=O ZINC000309603547 343936379 /nfs/dbraw/zinc/93/63/79/343936379.db2.gz YDWYRTQMYZPQMM-NHCYSSNCSA-N 0 3 226.320 0.358 20 0 BCADHN Cn1nncc1CNCC1(C)CCOCC1 ZINC000165608501 343937109 /nfs/dbraw/zinc/93/71/09/343937109.db2.gz DFRJSTFSFUNANZ-UHFFFAOYSA-N 0 3 224.308 0.721 20 0 BCADHN CC(C)COC[C@@H](O)CNCc1cn[nH]c1 ZINC000309632819 343938904 /nfs/dbraw/zinc/93/89/04/343938904.db2.gz RNRYDZRFZNNYKY-NSHDSACASA-N 0 3 227.308 0.533 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)C=Cc1c[nH]cn1 ZINC000493174983 529949546 /nfs/dbraw/zinc/94/95/46/529949546.db2.gz YNIYOLUBGILSBV-FYJFLYSWSA-N 0 3 248.330 0.976 20 0 BCADHN CC[C@@H](O)CN1CCC(N2CCNC2=O)CC1 ZINC000106383405 347014148 /nfs/dbraw/zinc/01/41/48/347014148.db2.gz RNXGONXRUCXPGZ-LLVKDONJSA-N 0 3 241.335 0.247 20 0 BCADHN C[C@](O)(CN[C@H]1C[C@@H](CO)C1)C(F)(F)F ZINC000634725115 343945652 /nfs/dbraw/zinc/94/56/52/343945652.db2.gz HXVBUXJWAXNFKE-RNJXMRFFSA-N 0 3 227.226 0.660 20 0 BCADHN CC(C)[C@@H](N)c1cn(CCc2cncn2C)nn1 ZINC000641173036 362253301 /nfs/dbraw/zinc/25/33/01/362253301.db2.gz IMVALRRGOMITFF-GFCCVEGCSA-N 0 3 248.334 0.910 20 0 BCADHN Cc1nnc([C@H](C)n2cc(CNC3CC3)nn2)[nH]1 ZINC000641180016 362255839 /nfs/dbraw/zinc/25/58/39/362255839.db2.gz PKDZEPFZLGDXQZ-ZETCQYMHSA-N 0 3 247.306 0.566 20 0 BCADHN CN(CCNCc1cn[nH]c1)CC(F)(F)F ZINC000393774804 343927056 /nfs/dbraw/zinc/92/70/56/343927056.db2.gz WKXLAIYXXHGRJS-UHFFFAOYSA-N 0 3 236.241 0.993 20 0 BCADHN CN(CCNC(=O)CC1(O)CCCC1)C1CC1 ZINC000605403229 343971390 /nfs/dbraw/zinc/97/13/90/343971390.db2.gz BJDPPEWFSKZTHU-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN C[C@@H](O)Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000641191644 362267468 /nfs/dbraw/zinc/26/74/68/362267468.db2.gz VZQRMKGXOQMIAJ-VXNVDRBHSA-N 0 3 212.297 0.705 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2ccno2)nn1 ZINC000395140069 362268668 /nfs/dbraw/zinc/26/86/68/362268668.db2.gz BVBUXWULVVWDQP-SNVBAGLBSA-N 0 3 221.264 0.898 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2ccno2)nn1 ZINC000395140067 362268767 /nfs/dbraw/zinc/26/87/67/362268767.db2.gz BVBUXWULVVWDQP-JTQLQIEISA-N 0 3 221.264 0.898 20 0 BCADHN CN1CCC(C(=O)N[C@H]2CCCOC2)CC1 ZINC000335878187 344045666 /nfs/dbraw/zinc/04/56/66/344045666.db2.gz HAAMOPAEKRNHJA-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN NCc1cn(C[C@@H](O)Cc2ccccc2)nn1 ZINC000641209658 362270398 /nfs/dbraw/zinc/27/03/98/362270398.db2.gz AECMBGZPDLHFRS-LBPRGKRZSA-N 0 3 232.287 0.340 20 0 BCADHN C[C@H](O)CNC[C@H](n1cncn1)C(F)(F)F ZINC000634726585 343951779 /nfs/dbraw/zinc/95/17/79/343951779.db2.gz WMHZLWATCFGFKV-BQBZGAKWSA-N 0 3 238.213 0.352 20 0 BCADHN C[C@@H](O)CNC[C@H](n1cncn1)C(F)(F)F ZINC000634726588 343951811 /nfs/dbraw/zinc/95/18/11/343951811.db2.gz WMHZLWATCFGFKV-RQJHMYQMSA-N 0 3 238.213 0.352 20 0 BCADHN CC(=O)[C@](C)(O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000641217912 362277497 /nfs/dbraw/zinc/27/74/97/362277497.db2.gz RUYNPCGJGBMMII-WDEREUQCSA-N 0 3 240.307 0.274 20 0 BCADHN Cc1ncc([C@@H](C)NCCC(N)=O)s1 ZINC000634727212 343958271 /nfs/dbraw/zinc/95/82/71/343958271.db2.gz NQMNZAINKNVWRD-ZCFIWIBFSA-N 0 3 213.306 0.978 20 0 BCADHN CSCC[C@H](N)C(=O)Nc1cn[nH]c1 ZINC000040460113 343964225 /nfs/dbraw/zinc/96/42/25/343964225.db2.gz VRZOHNWLWVNELP-ZETCQYMHSA-N 0 3 214.294 0.429 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N(C)CC1(C)COC1 ZINC000625787768 344074813 /nfs/dbraw/zinc/07/48/13/344074813.db2.gz GVNVCOGCTJNLJY-VIFPVBQESA-N 0 3 226.320 0.622 20 0 BCADHN OC[C@@H]1CN(CCC(F)(F)F)C[C@H]1CO ZINC000625707605 344050325 /nfs/dbraw/zinc/05/03/25/344050325.db2.gz VZDGWEJBWFKHAS-YUMQZZPRSA-N 0 3 227.226 0.471 20 0 BCADHN CO[C@@H](CC(C)C)CN1C[C@H](O)[C@@H](O)C1 ZINC000625713536 344052044 /nfs/dbraw/zinc/05/20/44/344052044.db2.gz INXYJLHSOJEFDA-DCAQKATOSA-N 0 3 217.309 0.085 20 0 BCADHN CC(C)(C)OCCCN1C[C@H](O)[C@@H](O)C1 ZINC000625721892 344055889 /nfs/dbraw/zinc/05/58/89/344055889.db2.gz AQDDOXVLHNOLIN-UWVGGRQHSA-N 0 3 217.309 0.229 20 0 BCADHN COC[C@@H](C)CNC(=O)N[C@H]1CCCN(C)C1 ZINC000620397205 344073019 /nfs/dbraw/zinc/07/30/19/344073019.db2.gz DVVLYONJDWFSGA-QWRGUYRKSA-N 0 3 243.351 0.662 20 0 BCADHN CC[C@H](C(N)=O)N(C)CC1(C)COC1 ZINC000625788281 344073119 /nfs/dbraw/zinc/07/31/19/344073119.db2.gz NRHSYVOTHNNERD-MRVPVSSYSA-N 0 3 200.282 0.219 20 0 BCADHN CC(C)N1CC[C@@H](N(C)CC2(C)COC2)C1=O ZINC000625789628 344077718 /nfs/dbraw/zinc/07/77/18/344077718.db2.gz HDXWCLQDGYUTKU-LLVKDONJSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C(=O)CN1CC[C@@]2(CCOC2)C1)C1CC1 ZINC000153630435 537839020 /nfs/dbraw/zinc/83/90/20/537839020.db2.gz DLDBXXZIXUSGOS-CYBMUJFWSA-N 0 3 238.331 0.720 20 0 BCADHN CSC[C@@H](O)Cn1cc([C@H](N)C(C)C)nn1 ZINC000603260614 349901914 /nfs/dbraw/zinc/90/19/14/349901914.db2.gz OUYHSDZYLACMTN-WCBMZHEXSA-N 0 3 244.364 0.658 20 0 BCADHN 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362334889 /nfs/dbraw/zinc/33/48/89/362334889.db2.gz BYIMKUQQKZMCNE-VIFPVBQESA-N 0 3 249.318 0.472 20 0 BCADHN CC(=O)NC(C)(C)C(=O)NCCN(C)C1CC1 ZINC000588642330 344166060 /nfs/dbraw/zinc/16/60/60/344166060.db2.gz UMJWXSNJOUKUGV-UHFFFAOYSA-N 0 3 241.335 0.112 20 0 BCADHN CCN(CC)CC(=O)NCC1(CCO)CC1 ZINC000188051713 259373331 /nfs/dbraw/zinc/37/33/31/259373331.db2.gz PKZKHSWTFJJWEC-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](CCO)CC(C)C ZINC000130187848 344121002 /nfs/dbraw/zinc/12/10/02/344121002.db2.gz MCLGFLNGYWTKPP-GHMZBOCLSA-N 0 3 230.352 0.885 20 0 BCADHN CC(C)N1CC[C@H](Nc2nccnc2C(N)=O)C1 ZINC000641311062 362358484 /nfs/dbraw/zinc/35/84/84/362358484.db2.gz LPXGRQYDHCXZSX-VIFPVBQESA-N 0 3 249.318 0.470 20 0 BCADHN CC(C)(N)C(=O)NCCNc1ccccn1 ZINC000564915336 344126775 /nfs/dbraw/zinc/12/67/75/344126775.db2.gz JBBGELUTHALZDC-UHFFFAOYSA-N 0 3 222.292 0.347 20 0 BCADHN CN(CCCO)[C@@H]1CCCCN(C)C1=O ZINC000634738023 344141039 /nfs/dbraw/zinc/14/10/39/344141039.db2.gz 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0.210 20 0 BCADHN Cc1nnc2ccc(N3CCCN(C)CC3)nn12 ZINC000077291431 344815599 /nfs/dbraw/zinc/81/55/99/344815599.db2.gz JREMBZGTLVOYPS-UHFFFAOYSA-N 0 3 246.318 0.575 20 0 BCADHN CC(C(=O)N1CCCC[C@H]1C)S(C)(=O)=O ZINC000078281795 344841173 /nfs/dbraw/zinc/84/11/73/344841173.db2.gz QEFDZFWTBZWBOU-BDAKNGLRSA-N 0 3 233.333 0.821 20 0 BCADHN NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000077656763 344825302 /nfs/dbraw/zinc/82/53/02/344825302.db2.gz GERQNBWRZJPUPB-GFCCVEGCSA-N 0 3 248.330 0.962 20 0 BCADHN CC1(CN2CCN([C@@H]3CCOC3)CC2)COC1 ZINC000678629257 488274753 /nfs/dbraw/zinc/27/47/53/488274753.db2.gz NAIYPLCWZFBRQT-GFCCVEGCSA-N 0 3 240.347 0.429 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)[C@H]1CCCS1 ZINC000153370248 344861317 /nfs/dbraw/zinc/86/13/17/344861317.db2.gz VXVOVESNIRPYPC-MWLCHTKSSA-N 0 3 246.376 0.311 20 0 BCADHN CCN1CCC(CS(N)(=O)=O)CC1 ZINC000119626553 344856215 /nfs/dbraw/zinc/85/62/15/344856215.db2.gz HCBSUZRMIBQOFZ-UHFFFAOYSA-N 0 3 206.311 0.007 20 0 BCADHN Cn1cccc1CNC[C@H]1COCCO1 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192110441 /nfs/dbraw/zinc/11/04/41/192110441.db2.gz BQMOOFPZJXHNID-UPJWGTAASA-N 0 3 242.363 0.816 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000419272567 192110457 /nfs/dbraw/zinc/11/04/57/192110457.db2.gz GXCNKGYGXDXKKR-BBBLOLIVSA-N 0 3 241.335 0.145 20 0 BCADHN CO[C@@H](CC(C)C)CN(CCO)C[C@@H](C)O ZINC000419268948 192109765 /nfs/dbraw/zinc/10/97/65/192109765.db2.gz ASWQMDSXJZGNEW-NEPJUHHUSA-N 0 3 233.352 0.723 20 0 BCADHN C[C@H]1C[C@@H](NCc2cnc(N(C)C)nc2)CO1 ZINC000577372827 365936562 /nfs/dbraw/zinc/93/65/62/365936562.db2.gz UEWSGIDWCFJTFD-GXSJLCMTSA-N 0 3 236.319 0.810 20 0 BCADHN C[C@@H]1C[C@@H](N[C@H]2CCCS(=O)(=O)C2)CO1 ZINC000401807763 347942802 /nfs/dbraw/zinc/94/28/02/347942802.db2.gz CPJUJZVIFJODGJ-KXUCPTDWSA-N 0 3 233.333 0.331 20 0 BCADHN CCOC[C@@H](O)CN1CC(C)(COC)C1 ZINC000432752130 192372009 /nfs/dbraw/zinc/37/20/09/192372009.db2.gz IRLZVWGZZQXQEX-JTQLQIEISA-N 0 3 217.309 0.352 20 0 BCADHN CC[C@H](NCC(=O)NC(N)=O)[C@H]1CCCCO1 ZINC000594045310 347987756 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348168334 /nfs/dbraw/zinc/16/83/34/348168334.db2.gz GNRDFDGMAYANAV-MGCOHNPYSA-N 0 3 238.287 0.425 20 0 BCADHN CCNC(=O)CN[C@@H](C)CSCCF ZINC000595003111 348169594 /nfs/dbraw/zinc/16/95/94/348169594.db2.gz DGXVWVMZKXLIEW-QMMMGPOBSA-N 0 3 222.329 0.803 20 0 BCADHN CCNC(=O)CN[C@H](C)CSCCF ZINC000595003110 348169636 /nfs/dbraw/zinc/16/96/36/348169636.db2.gz DGXVWVMZKXLIEW-MRVPVSSYSA-N 0 3 222.329 0.803 20 0 BCADHN C[C@H](CSCCF)N[C@H]1CCCNC1=O ZINC000595017963 348170747 /nfs/dbraw/zinc/17/07/47/348170747.db2.gz YOLYAWHGCWFKCC-BDAKNGLRSA-N 0 3 234.340 0.946 20 0 BCADHN CC[C@H](CN1CCN2CCOC[C@@H]2C1)OC ZINC000419238863 192112987 /nfs/dbraw/zinc/11/29/87/192112987.db2.gz HSVINQQEVBUUEV-NWDGAFQWSA-N 0 3 228.336 0.428 20 0 BCADHN O=c1[n-]nc(CN2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000377753596 187388757 /nfs/dbraw/zinc/38/87/57/187388757.db2.gz IMCDPSVQHOAEEQ-MRVPVSSYSA-N 0 3 240.332 0.524 20 0 BCADHN O=c1[n-]nc(CN2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000377753596 187388759 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HDGZMAVLVHMBGV-MRVPVSSYSA-N 0 3 247.220 0.896 20 0 BCADHN CO[C@@H](CNC1(C(N)=O)CC1)CC(C)C ZINC000419257172 192115243 /nfs/dbraw/zinc/11/52/43/192115243.db2.gz YFCRMPFZTCTGHI-SECBINFHSA-N 0 3 214.309 0.655 20 0 BCADHN CC[C@H](CN(CCO)[C@@H]1CCO[C@@H]1C)OC ZINC000419289374 192118196 /nfs/dbraw/zinc/11/81/96/192118196.db2.gz ITZLDQQKARWEHY-IJLUTSLNSA-N 0 3 231.336 0.883 20 0 BCADHN COC[C@@H](CNC1(CC(=O)OC)CC1)OC ZINC000595557715 348279212 /nfs/dbraw/zinc/27/92/12/348279212.db2.gz IUDNPJYPWVYYTL-SECBINFHSA-N 0 3 231.292 0.333 20 0 BCADHN Cc1cccnc1CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188749223 179383450 /nfs/dbraw/zinc/38/34/50/179383450.db2.gz OTIPEKFVAXEVQO-VHSXEESVSA-N 0 3 237.278 0.706 20 0 BCADHN CO[C@H](CC(C)C)CN1C[C@H](O)[C@@H](O)C1 ZINC000419303861 192120330 /nfs/dbraw/zinc/12/03/30/192120330.db2.gz INXYJLHSOJEFDA-VWYCJHECSA-N 0 3 217.309 0.085 20 0 BCADHN CCOC1CC(N[C@@H]2CCO[C@@H]2C(=O)OC)C1 ZINC000595665267 348301768 /nfs/dbraw/zinc/30/17/68/348301768.db2.gz XNAAILXKVSYGCK-LXKPXOPUSA-N 0 3 243.303 0.474 20 0 BCADHN CC[C@H](CN1C[C@H](C)N(CCO)C[C@@H]1C)OC ZINC000419324807 192121861 /nfs/dbraw/zinc/12/18/61/192121861.db2.gz ATRMOHYRSFDXDO-RWMBFGLXSA-N 0 3 244.379 0.798 20 0 BCADHN COC[C@H](NC[C@@H](C)S(C)(=O)=O)C(C)C ZINC000308949697 323182204 /nfs/dbraw/zinc/18/22/04/323182204.db2.gz OTRMOAXKRWVCGQ-ZJUUUORDSA-N 0 3 237.365 0.680 20 0 BCADHN COC(=O)CCCN1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595741134 348319001 /nfs/dbraw/zinc/31/90/01/348319001.db2.gz DPNXVDPNYQCLKR-NXEZZACHSA-N 0 3 229.320 0.888 20 0 BCADHN C[C@@H](CNC(=O)[C@@H](N)CC(F)F)N1CCCC1 ZINC000383341378 348347768 /nfs/dbraw/zinc/34/77/68/348347768.db2.gz KQQPHOGUBWVMKQ-IUCAKERBSA-N 0 3 249.305 0.569 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@@H]([C@H](C)O)C1 ZINC000535557958 323184441 /nfs/dbraw/zinc/18/44/41/323184441.db2.gz ICQYIKRROSJKQG-OUAUKWLOSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCC[C@H](CCF)C1 ZINC000595755227 348328841 /nfs/dbraw/zinc/32/88/41/348328841.db2.gz JBBFSXVKSUCFGL-DTWKUNHWSA-N 0 3 245.298 0.641 20 0 BCADHN C[C@@H]1C[C@@H](N[C@H]2CCC(=O)N(C)C2=O)CS1 ZINC000251707976 362899337 /nfs/dbraw/zinc/89/93/37/362899337.db2.gz BNHKNRUQXFQUDN-HLTSFMKQSA-N 0 3 242.344 0.617 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCC[C@H](CCF)C1 ZINC000595755229 348329075 /nfs/dbraw/zinc/32/90/75/348329075.db2.gz JBBFSXVKSUCFGL-RKDXNWHRSA-N 0 3 245.298 0.641 20 0 BCADHN COC(=O)[C@H](C1CC1)N1C[C@@H]2COC[C@]2(C)C1 ZINC000595756491 348330322 /nfs/dbraw/zinc/33/03/22/348330322.db2.gz GMJXRCCWUVNRIU-MDZLAQPJSA-N 0 3 239.315 0.906 20 0 BCADHN Cc1ccn(C)c1C(=O)NCCN(C)C ZINC000188887853 179405099 /nfs/dbraw/zinc/40/50/99/179405099.db2.gz MQPXXFKTEWYBIL-UHFFFAOYSA-N 0 3 209.293 0.625 20 0 BCADHN CC(C)OC(=O)CCN(C)C[C@H]1COCCO1 ZINC000595745603 348339982 /nfs/dbraw/zinc/33/99/82/348339982.db2.gz YNOLDQFGZPVCMB-NSHDSACASA-N 0 3 245.319 0.675 20 0 BCADHN CCN(CC)CC(=O)N(C)C[C@@H](C)O ZINC000125676294 187394352 /nfs/dbraw/zinc/39/43/52/187394352.db2.gz INDZYIKYHILWRF-SECBINFHSA-N 0 3 202.298 0.167 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N(CC(=O)NC(N)=O)C1 ZINC000595782105 348344988 /nfs/dbraw/zinc/34/49/88/348344988.db2.gz HJKMMBKWTBOPNW-RKDXNWHRSA-N 0 3 227.308 0.692 20 0 BCADHN CCOC(=O)CCCN1CCC(CO)(CO)C1 ZINC000595798840 348346951 /nfs/dbraw/zinc/34/69/51/348346951.db2.gz ICGBHPGYILHGQZ-UHFFFAOYSA-N 0 3 245.319 0.006 20 0 BCADHN CCOC[C@@H](O)CNCc1c[nH]nc1C ZINC000309095875 349984911 /nfs/dbraw/zinc/98/49/11/349984911.db2.gz GRJBLWWTXMVGIR-JTQLQIEISA-N 0 3 213.281 0.205 20 0 BCADHN CCCN1C[C@@H](C)N(CCO)C[C@H]1C ZINC000419332018 192123683 /nfs/dbraw/zinc/12/36/83/192123683.db2.gz SIAYXKFRBHCIOB-GHMZBOCLSA-N 0 3 200.326 0.783 20 0 BCADHN CCOCCN(C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595853661 348357003 /nfs/dbraw/zinc/35/70/03/348357003.db2.gz WLXKUMFQPYZJCH-AOOOYVTPSA-N 0 3 215.293 0.906 20 0 BCADHN CCN(CCO)CCNCc1ccnc(C)c1 ZINC000623494429 362918902 /nfs/dbraw/zinc/91/89/02/362918902.db2.gz PNFPXBUHLGAHMW-UHFFFAOYSA-N 0 3 237.347 0.794 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1cocn1 ZINC000397830691 362919878 /nfs/dbraw/zinc/91/98/78/362919878.db2.gz MVIHOHWIGFKLBD-CBAPKCEASA-N 0 3 211.265 0.664 20 0 BCADHN COC(=O)[C@H](C1CC1)N1CC[C@H]2COC[C@@H]2C1 ZINC000595830355 348365048 /nfs/dbraw/zinc/36/50/48/348365048.db2.gz KSPBTIDOYJIMLQ-SRVKXCTJSA-N 0 3 239.315 0.906 20 0 BCADHN COC(=O)C[C@H](CNC(=O)[C@H](C)N)C1CC1 ZINC000595974672 348405466 /nfs/dbraw/zinc/40/54/66/348405466.db2.gz ZKFWVQVEALCXQO-IONNQARKSA-N 0 3 228.292 0.039 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NCC(C)(F)F ZINC000595971024 348407630 /nfs/dbraw/zinc/40/76/30/348407630.db2.gz DKSNBCOSKPHRRU-ZCFIWIBFSA-N 0 3 238.234 0.038 20 0 BCADHN CSCC[C@H](N)C(=O)NCC(C)(F)F ZINC000595971507 348408121 /nfs/dbraw/zinc/40/81/21/348408121.db2.gz OQIGALPGEABRQN-LURJTMIESA-N 0 3 226.292 0.838 20 0 BCADHN COC(=O)CCCN(C)C(=O)[C@@H]1NCC1(C)C ZINC000595971760 348408274 /nfs/dbraw/zinc/40/82/74/348408274.db2.gz UJPFUOKOJOJWRS-JTQLQIEISA-N 0 3 242.319 0.396 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638700039 352538827 /nfs/dbraw/zinc/53/88/27/352538827.db2.gz VZQXUSQTBZVLSK-AEJSXWLSSA-N 0 3 241.335 0.082 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ccoc1C(=O)OC ZINC000595944076 348411077 /nfs/dbraw/zinc/41/10/77/348411077.db2.gz RQSFCZWJRHKIFM-MRVPVSSYSA-N 0 3 240.259 0.420 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NCCC(C)(C)F ZINC000595945446 348411554 /nfs/dbraw/zinc/41/15/54/348411554.db2.gz NVVZKSSVKOYOEL-MRVPVSSYSA-N 0 3 248.298 0.521 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)CNC(C)C)C1 ZINC000595975126 348412916 /nfs/dbraw/zinc/41/29/16/348412916.db2.gz MYBKTOSGTVHTSN-DTORHVGOSA-N 0 3 228.292 0.052 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@](C)(CCF)C(=O)OC ZINC000595976559 348413457 /nfs/dbraw/zinc/41/34/57/348413457.db2.gz SJJPWRUNAPNENN-XCBNKYQSSA-N 0 3 234.271 0.131 20 0 BCADHN CCCN1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000419332021 192123844 /nfs/dbraw/zinc/12/38/44/192123844.db2.gz SIAYXKFRBHCIOB-WDEREUQCSA-N 0 3 200.326 0.783 20 0 BCADHN COC(=O)c1ccc(CN[C@H]2CCC[C@@H]2O)[nH]1 ZINC000323738076 348421648 /nfs/dbraw/zinc/42/16/48/348421648.db2.gz XKBURFICHMWLSU-ONGXEEELSA-N 0 3 238.287 0.804 20 0 BCADHN CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)CN ZINC000595980992 348415992 /nfs/dbraw/zinc/41/59/92/348415992.db2.gz MMFBSPQTWMLNRT-GZMMTYOYSA-N 0 3 228.292 0.183 20 0 BCADHN CC[C@H](C)N(CC(=O)OC)C[C@H]1CNCCO1 ZINC000595893122 348390850 /nfs/dbraw/zinc/39/08/50/348390850.db2.gz PNYRHWHHLUVTPR-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN COC(=O)C[C@H]1CCCN1C[C@H]1CNCCO1 ZINC000595892111 348390951 /nfs/dbraw/zinc/39/09/51/348390951.db2.gz KSNRKQLWVUGBAR-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN CSCC[C@H](N)C(=O)NCCOCCF ZINC000595993272 348421398 /nfs/dbraw/zinc/42/13/98/348421398.db2.gz XMSPNNHJMJCHDO-QMMMGPOBSA-N 0 3 238.328 0.169 20 0 BCADHN COC(=O)CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000595930043 348392631 /nfs/dbraw/zinc/39/26/31/348392631.db2.gz MPKCCIMAPLGALA-NSHDSACASA-N 0 3 248.282 0.510 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N(C)C[C@H]1CC1(C)C ZINC000595912701 348399833 /nfs/dbraw/zinc/39/98/33/348399833.db2.gz PCILNFCCGNJXGD-RKDXNWHRSA-N 0 3 241.335 0.808 20 0 BCADHN COC(=O)CCNC(=O)c1cccc2c1CNC2 ZINC000595917866 348400338 /nfs/dbraw/zinc/40/03/38/348400338.db2.gz UQBIJQICMHUVAN-UHFFFAOYSA-N 0 3 248.282 0.583 20 0 BCADHN CCOC(=O)CNC(=O)c1cccc2c1CNC2 ZINC000595919667 348401323 /nfs/dbraw/zinc/40/13/23/348401323.db2.gz LWJXACNKUQPSKP-UHFFFAOYSA-N 0 3 248.282 0.583 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419391652 192130551 /nfs/dbraw/zinc/13/05/51/192130551.db2.gz JWVUINMZKVQHEC-BZNPZCIMSA-N 0 3 227.308 0.546 20 0 BCADHN COC(=O)CNC(=O)CN1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419396776 192131013 /nfs/dbraw/zinc/13/10/13/192131013.db2.gz SZEIZOXLWXYIEX-GUBZILKMSA-N 0 3 242.319 0.252 20 0 BCADHN CCn1nccc1CNC[C@@H](O)CSC ZINC000596071434 348438021 /nfs/dbraw/zinc/43/80/21/348438021.db2.gz ZAHWXUWSNAPPIP-SNVBAGLBSA-N 0 3 229.349 0.717 20 0 BCADHN CC(C)CCCNC(=O)C(=O)N(C)[C@@H](C)CN ZINC000419374108 192128852 /nfs/dbraw/zinc/12/88/52/192128852.db2.gz PHDISWUSWWFYAP-JTQLQIEISA-N 0 3 243.351 0.344 20 0 BCADHN C[C@@H](CC(=O)OC(C)(C)C)N[C@H]1CCNC1=O ZINC000596094232 348445102 /nfs/dbraw/zinc/44/51/02/348445102.db2.gz KUDPDTDICNREOK-IUCAKERBSA-N 0 3 242.319 0.585 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](CO)[C@@H]1C ZINC000395158659 323189342 /nfs/dbraw/zinc/18/93/42/323189342.db2.gz CUDDEFILOLFUBA-VHSXEESVSA-N 0 3 214.309 0.167 20 0 BCADHN COC(=O)c1nccc(SCCN(C)C)n1 ZINC000596156830 348454912 /nfs/dbraw/zinc/45/49/12/348454912.db2.gz UIFBMFIZEKXRDK-UHFFFAOYSA-N 0 3 241.316 0.917 20 0 BCADHN C[C@@H](CO)[C@@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000636829400 349996530 /nfs/dbraw/zinc/99/65/30/349996530.db2.gz QKTMJZQZQHCEQG-HBNTYKKESA-N 0 3 243.351 0.397 20 0 BCADHN CC[C@@H](NC(=O)C(=O)N[C@H](C)CN)C(C)(C)C ZINC000419661124 192143893 /nfs/dbraw/zinc/14/38/93/192143893.db2.gz DCGPMHSDGWHAGD-RKDXNWHRSA-N 0 3 243.351 0.391 20 0 BCADHN CC(C)C[C@@H](CN)NC(=O)C(=O)NC1CCC1 ZINC000419632389 192144416 /nfs/dbraw/zinc/14/44/16/192144416.db2.gz XMWHWFNOYHKKCM-JTQLQIEISA-N 0 3 241.335 0.145 20 0 BCADHN Cc1cccn2c(CN[C@H](CO)[C@@H](C)O)cnc12 ZINC000419799047 192144688 /nfs/dbraw/zinc/14/46/88/192144688.db2.gz ZFSDFZQGVACJDC-ZYHUDNBSSA-N 0 3 249.314 0.474 20 0 BCADHN CC(C)CC[C@@H](C)NC(=O)C(=O)N[C@H](C)CN ZINC000419796650 192145087 /nfs/dbraw/zinc/14/50/87/192145087.db2.gz QSAMNQGOWBMHMY-NXEZZACHSA-N 0 3 243.351 0.391 20 0 BCADHN COCc1ccc(CN[C@H](CO)[C@@H](C)O)cc1 ZINC000419795225 192145171 /nfs/dbraw/zinc/14/51/71/192145171.db2.gz JFIFFEAHXUHVBV-ZWNOBZJWSA-N 0 3 239.315 0.664 20 0 BCADHN CCC[C@H](O)[C@H](CO)NCc1cccnc1 ZINC000419824252 192145683 /nfs/dbraw/zinc/14/56/83/192145683.db2.gz PKFOEBFSVIVNCV-RYUDHWBXSA-N 0 3 224.304 0.693 20 0 BCADHN C=Cn1cc(CN[C@@H](CO)[C@@H](O)CCC)cn1 ZINC000419803803 192145689 /nfs/dbraw/zinc/14/56/89/192145689.db2.gz CPEDADOCBDFGLI-RYUDHWBXSA-N 0 3 239.319 0.595 20 0 BCADHN COc1ccc(C)cc1CN[C@H](CO)[C@@H](C)O ZINC000419821552 192145745 /nfs/dbraw/zinc/14/57/45/192145745.db2.gz VXIXPQBTQQMUEK-ZYHUDNBSSA-N 0 3 239.315 0.835 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1ccsc1 ZINC000419820598 192146194 /nfs/dbraw/zinc/14/61/94/192146194.db2.gz UXBMZJNWQUUISC-VXNVDRBHSA-N 0 3 201.291 0.579 20 0 BCADHN COc1ccc(CN[C@H](CO)[C@@H](C)O)cc1 ZINC000419809896 192146203 /nfs/dbraw/zinc/14/62/03/192146203.db2.gz KYUGHKUUNZTGKH-BXKDBHETSA-N 0 3 225.288 0.527 20 0 BCADHN CCC[C@@H](O)[C@H](CO)NCc1cccnc1 ZINC000419824250 192146217 /nfs/dbraw/zinc/14/62/17/192146217.db2.gz PKFOEBFSVIVNCV-NWDGAFQWSA-N 0 3 224.304 0.693 20 0 BCADHN CC[C@H](C(=O)NCCN(C)CCOC)[C@H](C)O ZINC000419894030 192148293 /nfs/dbraw/zinc/14/82/93/192148293.db2.gz KYLMHLVNIVYPST-QWRGUYRKSA-N 0 3 246.351 0.088 20 0 BCADHN CCCN(C)C(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000419967047 192149331 /nfs/dbraw/zinc/14/93/31/192149331.db2.gz ZUALMOAQYPAORV-SNVBAGLBSA-N 0 3 243.351 0.344 20 0 BCADHN CC[C@H](C(=O)NCC1(N(C)C)CCC1)[C@@H](C)O ZINC000420008236 192152863 /nfs/dbraw/zinc/15/28/63/192152863.db2.gz BHYUDFIQQJOFQE-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN CCCN(CC(C)C)C(=O)C(=O)N[C@H](C)CN ZINC000420014530 192153215 /nfs/dbraw/zinc/15/32/15/192153215.db2.gz NYXDAFJJMALNBA-SNVBAGLBSA-N 0 3 243.351 0.344 20 0 BCADHN CC[C@@H]1[C@H](C)CCN1C(=O)C(=O)N[C@H](C)CN ZINC000420014909 192153518 /nfs/dbraw/zinc/15/35/18/192153518.db2.gz PICFJRCEDSAHSD-OPRDCNLKSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN)C1 ZINC000420019718 192153549 /nfs/dbraw/zinc/15/35/49/192153549.db2.gz RCKBHATYKASQJY-UWVGGRQHSA-N 0 3 241.335 0.098 20 0 BCADHN CN(C)c1ncc(CNC[C@@H]2CCCO2)cn1 ZINC000596624293 348596528 /nfs/dbraw/zinc/59/65/28/348596528.db2.gz WBDQUGMCXAGPPQ-NSHDSACASA-N 0 3 236.319 0.811 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)NC[C@@](C)(O)CCN(C)C ZINC000419970370 192154918 /nfs/dbraw/zinc/15/49/18/192154918.db2.gz BPONBVWFZHBNFO-WZRBSPASSA-N 0 3 242.363 0.851 20 0 BCADHN COC(=O)C1(CNCc2cnc3n2CCC3)CC1 ZINC000597085769 348655941 /nfs/dbraw/zinc/65/59/41/348655941.db2.gz KMVYYGPGYGPPPA-UHFFFAOYSA-N 0 3 249.314 0.872 20 0 BCADHN CC(C)OCCNC(C)(C)C(=O)N(C)C ZINC000114458144 323194076 /nfs/dbraw/zinc/19/40/76/323194076.db2.gz UMKVYJZFSJJYRF-UHFFFAOYSA-N 0 3 216.325 0.868 20 0 BCADHN CCCC[C@H](CN)NC(=O)C(=O)N(C)C(C)C ZINC000420145197 192163043 /nfs/dbraw/zinc/16/30/43/192163043.db2.gz NGKFGUNGMWQEKC-SNVBAGLBSA-N 0 3 243.351 0.487 20 0 BCADHN CCCC[C@@H](CN)NC(=O)C(=O)N(C)C(C)C ZINC000420145196 192163433 /nfs/dbraw/zinc/16/34/33/192163433.db2.gz NGKFGUNGMWQEKC-JTQLQIEISA-N 0 3 243.351 0.487 20 0 BCADHN CCCCN(C)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420068730 192158288 /nfs/dbraw/zinc/15/82/88/192158288.db2.gz VBJVPZOWURGVDG-SNVBAGLBSA-N 0 3 241.335 0.098 20 0 BCADHN CC[C@@H]1C[C@H](C)CN1C(=O)C(=O)N[C@@H](C)CN ZINC000420032338 192158322 /nfs/dbraw/zinc/15/83/22/192158322.db2.gz TYSHCJZNGGSKQM-LPEHRKFASA-N 0 3 241.335 0.097 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000420035098 192158387 /nfs/dbraw/zinc/15/83/87/192158387.db2.gz YAFFEFYKRQIIOO-GUBZILKMSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1CCCCC[C@H]1C ZINC000420021907 192158505 /nfs/dbraw/zinc/15/85/05/192158505.db2.gz USJVTQHGKZCDIO-VHSXEESVSA-N 0 3 241.335 0.241 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@H]2CCNC2=O)[C@@H]1SC ZINC000597171458 348668322 /nfs/dbraw/zinc/66/83/22/348668322.db2.gz QYVOWQMQQCPMAA-QEYWKRMJSA-N 0 3 244.360 0.374 20 0 BCADHN CCCN(CC)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420040933 192159442 /nfs/dbraw/zinc/15/94/42/192159442.db2.gz PKPWTPDMZPXHKE-JTQLQIEISA-N 0 3 241.335 0.098 20 0 BCADHN CN(C)C(C)(C)CNCc1cn(C)nn1 ZINC000054858806 348712735 /nfs/dbraw/zinc/71/27/35/348712735.db2.gz XIPZNLKOKRLIOD-UHFFFAOYSA-N 0 3 211.313 0.245 20 0 BCADHN COC(=O)[C@H]1C[C@H](NCc2cnc(C)n2C)C1 ZINC000597242514 348686765 /nfs/dbraw/zinc/68/67/65/348686765.db2.gz AJRAKSQZAQQBHL-MGCOHNPYSA-N 0 3 237.303 0.770 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NCc2cnc(C)nc2)C1 ZINC000597217971 348690255 /nfs/dbraw/zinc/69/02/55/348690255.db2.gz KYSGRXRNNGXDEP-PHIMTYICSA-N 0 3 235.287 0.826 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NCc2cnn3c2CCC3)C1 ZINC000597223351 348693741 /nfs/dbraw/zinc/69/37/41/348693741.db2.gz SEUQSYJRMZWVCC-JGZJWPJOSA-N 0 3 249.314 0.871 20 0 BCADHN CS[C@H](C)CCC(=O)N[C@H](CO)CN(C)C ZINC000597653002 348775553 /nfs/dbraw/zinc/77/55/53/348775553.db2.gz HCBCUYLYLUJNNK-ZJUUUORDSA-N 0 3 248.392 0.557 20 0 BCADHN COCC1(C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000421715619 192376490 /nfs/dbraw/zinc/37/64/90/192376490.db2.gz YNSIVISDBIVZLI-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCCN2C)CO1 ZINC000421708924 192373885 /nfs/dbraw/zinc/37/38/85/192373885.db2.gz BOYNGWGLXKXQOO-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN OCCN1CCN(C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000053881457 348749462 /nfs/dbraw/zinc/74/94/62/348749462.db2.gz KMTAITQVQBSHNM-STQMWFEESA-N 0 3 242.363 0.147 20 0 BCADHN CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCCN1C ZINC000421704763 192375076 /nfs/dbraw/zinc/37/50/76/192375076.db2.gz PSPQKQJEZPTWRJ-NSHDSACASA-N 0 3 241.335 0.017 20 0 BCADHN CCN(C(=O)CSC)[C@H]1CCN(C)C1 ZINC000597944992 348847055 /nfs/dbraw/zinc/84/70/55/348847055.db2.gz FXMZSOAGELLLHN-VIFPVBQESA-N 0 3 216.350 0.902 20 0 BCADHN Cn1cnnc1CN1CCN(C)CC1(C)C ZINC000536591312 323198385 /nfs/dbraw/zinc/19/83/85/323198385.db2.gz NKCKGZNNNPXKGJ-UHFFFAOYSA-N 0 3 223.324 0.341 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@@H](O)CC[C@@H]1C ZINC000399231673 323200998 /nfs/dbraw/zinc/20/09/98/323200998.db2.gz KBKISSJQASSUGE-SDDRHHMPSA-N 0 3 231.336 0.618 20 0 BCADHN O=C(CN1CCC12CCCC2)N1CCOCC1 ZINC000649655646 490198936 /nfs/dbraw/zinc/19/89/36/490198936.db2.gz KCVIWRWXZNKPKQ-UHFFFAOYSA-N 0 3 238.331 0.864 20 0 BCADHN CC[C@H](C)NC(=O)CCNC(=O)[C@H](C)NC ZINC000054075642 348878067 /nfs/dbraw/zinc/87/80/67/348878067.db2.gz GDSGTFWVQOMWSA-IUCAKERBSA-N 0 3 229.324 0.015 20 0 BCADHN CN[C@@H](C)C(=O)NCCCOC[C@H]1CCCO1 ZINC000054076195 348878465 /nfs/dbraw/zinc/87/84/65/348878465.db2.gz ICIDOJOSPXDBLR-WDEREUQCSA-N 0 3 244.335 0.296 20 0 BCADHN OCC(CO)NC/C=C\c1ccccc1 ZINC000213680257 352540156 /nfs/dbraw/zinc/54/01/56/352540156.db2.gz OHGUXKUNCTVNCM-DAXSKMNVSA-N 0 3 207.273 0.643 20 0 BCADHN CCCC[C@H](CN)NC(=O)C(=O)N(C)C1CC1 ZINC000420122873 192168617 /nfs/dbraw/zinc/16/86/17/192168617.db2.gz NCOFVJQOXUKUGM-SECBINFHSA-N 0 3 241.335 0.241 20 0 BCADHN CCCC[C@@H](CN)NC(=O)C(=O)N(C)CCC ZINC000420123874 192168056 /nfs/dbraw/zinc/16/80/56/192168056.db2.gz NZVRPYKSZVPDIP-JTQLQIEISA-N 0 3 243.351 0.489 20 0 BCADHN CC[C@H](N)C(=O)NC1CCC(C(=O)OC)CC1 ZINC000159159280 348976689 /nfs/dbraw/zinc/97/66/89/348976689.db2.gz XYNPTVJVHVJSNZ-RTBKNWGFSA-N 0 3 242.319 0.572 20 0 BCADHN C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H](C)CCN2)CO1 ZINC000401988803 349040381 /nfs/dbraw/zinc/04/03/81/349040381.db2.gz BZDSDYXQRYOBHE-RCWTZXSCSA-N 0 3 226.320 0.668 20 0 BCADHN CC[S@](=O)CC(=O)N1CCN[C@H](C(C)C)C1 ZINC000598776595 349041059 /nfs/dbraw/zinc/04/10/59/349041059.db2.gz HKZRGRRDIGMTSP-QFYYESIMSA-N 0 3 246.376 0.211 20 0 BCADHN COCCN(CCN(C)C)C(=O)[C@H]1CC12CC2 ZINC000421762607 192380460 /nfs/dbraw/zinc/38/04/60/192380460.db2.gz NJEIJSUWEIBWLX-LLVKDONJSA-N 0 3 240.347 0.823 20 0 BCADHN NC(=O)NC(=O)CCN1CC(CC2CC2)C1 ZINC000598707654 349024057 /nfs/dbraw/zinc/02/40/57/349024057.db2.gz YPMXDFMCXZZQCD-UHFFFAOYSA-N 0 3 225.292 0.303 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H]1CC12CC2 ZINC000421763964 192380643 /nfs/dbraw/zinc/38/06/43/192380643.db2.gz SKMOAVHQSHTOLX-JTQLQIEISA-N 0 3 226.320 0.481 20 0 BCADHN CN(C)C(C)(C)CNCc1cnccn1 ZINC000054765604 349079063 /nfs/dbraw/zinc/07/90/63/349079063.db2.gz RLUUSSOZRIMVPC-UHFFFAOYSA-N 0 3 208.309 0.906 20 0 BCADHN CN(C)CCOCCNC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421798113 192383950 /nfs/dbraw/zinc/38/39/50/192383950.db2.gz XQBAIYVKQNKAGV-AAEUAGOBSA-N 0 3 240.347 0.871 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N1CC[C@](C)(O)C1 ZINC000248340749 349123928 /nfs/dbraw/zinc/12/39/28/349123928.db2.gz ISFKUPFFQUAHTF-CABZTGNLSA-N 0 3 228.336 0.746 20 0 BCADHN COCCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000421814905 192388171 /nfs/dbraw/zinc/38/81/71/192388171.db2.gz RZGFANVSYQHIJD-JTQLQIEISA-N 0 3 229.324 0.368 20 0 BCADHN CCOC(=O)C[C@H](O)CN1C[C@@H]2CCC[C@@H]21 ZINC000599340581 349152001 /nfs/dbraw/zinc/15/20/01/349152001.db2.gz GJXADLZWPFBGKG-DCAQKATOSA-N 0 3 227.304 0.785 20 0 BCADHN CC1(C)C[C@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000333815573 538032018 /nfs/dbraw/zinc/03/20/18/538032018.db2.gz QHIYDNLVTSNBCV-DTWKUNHWSA-N 0 3 227.308 0.073 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCC[C@@H]1[C@H](C)O ZINC000599466445 349192003 /nfs/dbraw/zinc/19/20/03/349192003.db2.gz AUTTWTLPIPHAOK-GARJFASQSA-N 0 3 245.319 0.146 20 0 BCADHN COC[C@H](N[C@H]1COC[C@H]1O)C(C)C ZINC000251345950 349186971 /nfs/dbraw/zinc/18/69/71/349186971.db2.gz RBTVGTNWVDGKNV-LPEHRKFASA-N 0 3 203.282 0.007 20 0 BCADHN CCOC(=O)C[C@H](O)CN1C[C@H](C)[C@@H]1C ZINC000599429479 349187422 /nfs/dbraw/zinc/18/74/22/349187422.db2.gz YUTGZZYBZNTTQN-GUBZILKMSA-N 0 3 215.293 0.641 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)CC(C)(C)CO ZINC000599432206 349189171 /nfs/dbraw/zinc/18/91/71/349189171.db2.gz MAHSTVCLNJMDQY-JTQLQIEISA-N 0 3 247.335 0.251 20 0 BCADHN Cc1csc(NC(=O)C2(N)CCOCC2)n1 ZINC000149640360 179784415 /nfs/dbraw/zinc/78/44/15/179784415.db2.gz LFMYZRZKKDWJTN-UHFFFAOYSA-N 0 3 241.316 0.898 20 0 BCADHN COC(=O)CCCCN(C)[C@H]1CCNC1=O ZINC000599344192 349153868 /nfs/dbraw/zinc/15/38/68/349153868.db2.gz XJNGLINLVXZLRV-VIFPVBQESA-N 0 3 228.292 0.150 20 0 BCADHN COC(=O)CCCCN(C)[C@@H]1CCNC1=O ZINC000599344190 349154161 /nfs/dbraw/zinc/15/41/61/349154161.db2.gz XJNGLINLVXZLRV-SECBINFHSA-N 0 3 228.292 0.150 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1C[C@H](C)COC ZINC000249192888 349155936 /nfs/dbraw/zinc/15/59/36/349155936.db2.gz OYVOBTDTTJKVJT-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CCOC(=O)C[C@@H](O)CN[C@@H]1CCO[C@H]1CC ZINC000599436839 349175974 /nfs/dbraw/zinc/17/59/74/349175974.db2.gz AHVIKBKDXIJPKS-MXWKQRLJSA-N 0 3 245.319 0.458 20 0 BCADHN CC[C@H](O)CN1CC[C@](OC)(C(=O)OC)C1 ZINC000599558581 349217155 /nfs/dbraw/zinc/21/71/55/349217155.db2.gz LUMUCOXSBVXAND-GXSJLCMTSA-N 0 3 231.292 0.021 20 0 BCADHN COC(=O)[C@@]1(OC)CCN([C@@H]2CCOC2)C1 ZINC000599559212 349217258 /nfs/dbraw/zinc/21/72/58/349217258.db2.gz UEKQEWCXANGGJQ-MWLCHTKSSA-N 0 3 229.276 0.039 20 0 BCADHN COC(=O)[C@]1(OC)CCN(CCC[C@H](C)O)C1 ZINC000599557994 349217491 /nfs/dbraw/zinc/21/74/91/349217491.db2.gz CTWFMDDFVUKSHY-JQWIXIFHSA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(C[C@H](C)OC)C1 ZINC000599561895 349217888 /nfs/dbraw/zinc/21/78/88/349217888.db2.gz DFNGBXZWBIVSGV-GXSJLCMTSA-N 0 3 231.292 0.285 20 0 BCADHN COCCCCN1CC[C@](OC)(C(=O)OC)C1 ZINC000599563501 349218649 /nfs/dbraw/zinc/21/86/49/349218649.db2.gz IASZBDJXKITUBD-GFCCVEGCSA-N 0 3 245.319 0.677 20 0 BCADHN COC[C@@H](C)N1CC[C@@](OC)(C(=O)OC)C1 ZINC000599564716 349219687 /nfs/dbraw/zinc/21/96/87/349219687.db2.gz VINJFPWVRFSGCP-KOLCDFICSA-N 0 3 231.292 0.285 20 0 BCADHN CCCN1CC[C@](OC)(C(=O)OC)C1 ZINC000599566961 349220196 /nfs/dbraw/zinc/22/01/96/349220196.db2.gz KDDNXOSBSYZXLO-SNVBAGLBSA-N 0 3 201.266 0.660 20 0 BCADHN CC[C@H](C)CC(=O)N1CCN(C)C[C@H]1CN ZINC000253269024 349230184 /nfs/dbraw/zinc/23/01/84/349230184.db2.gz ZHGQFIOBXCTBOI-WDEREUQCSA-N 0 3 227.352 0.524 20 0 BCADHN COC(=O)CCN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632907 349237246 /nfs/dbraw/zinc/23/72/46/349237246.db2.gz RMMNHLVJLGEPML-LSYCYVAJSA-N 0 3 245.344 0.535 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(CC)CCSC ZINC000599451942 349197901 /nfs/dbraw/zinc/19/79/01/349197901.db2.gz KHSWBORTMFUVQU-SNVBAGLBSA-N 0 3 249.376 0.985 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)[C@@H](C)CCO ZINC000599453329 349199037 /nfs/dbraw/zinc/19/90/37/349199037.db2.gz PSTBMTXMXURRBM-VHSXEESVSA-N 0 3 233.308 0.003 20 0 BCADHN NC[C@H]1CCCCN1C(=O)C(=O)c1ccc[nH]1 ZINC000623054897 349296779 /nfs/dbraw/zinc/29/67/79/349296779.db2.gz BHHPNPGLKZNKMP-SECBINFHSA-N 0 3 235.287 0.537 20 0 BCADHN COC(=O)C1C[C@@H](C)N(CCO)[C@H](C)C1 ZINC000599689719 349245554 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/nfs/dbraw/zinc/40/32/78/349403278.db2.gz ILWVCXPUPBDMEP-UHFFFAOYSA-N 0 3 247.298 0.671 20 0 BCADHN COc1ncccc1C(=O)N1CCCNCC1 ZINC000061442285 349367951 /nfs/dbraw/zinc/36/79/51/349367951.db2.gz LWCXNGDHICNWEN-UHFFFAOYSA-N 0 3 235.287 0.526 20 0 BCADHN CCN(CC)CC(=O)NC[C@]1(O)CCSC1 ZINC000082966699 349371075 /nfs/dbraw/zinc/37/10/75/349371075.db2.gz WAZDKRJUCOLFOL-LLVKDONJSA-N 0 3 246.376 0.312 20 0 BCADHN CO[C@@H]1CN(CCc2ccccc2)C[C@H]1O ZINC000395455119 323225931 /nfs/dbraw/zinc/22/59/31/323225931.db2.gz VUWPIOQUHVPRNS-CHWSQXEVSA-N 0 3 221.300 0.921 20 0 BCADHN CCn1ccc(NC(=O)[C@@H](N)CCSC)n1 ZINC000300866984 349381825 /nfs/dbraw/zinc/38/18/25/349381825.db2.gz JYCGEYVAHJQUJW-QMMMGPOBSA-N 0 3 242.348 0.922 20 0 BCADHN CN(C)C(=O)CN1CCCCC[C@H]1CCO ZINC000342033370 538041138 /nfs/dbraw/zinc/04/11/38/538041138.db2.gz OHZLDWDBXBGGKG-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN COC(=O)c1ccc(CNC[C@@H](C)CO)n1C ZINC000602009872 349422417 /nfs/dbraw/zinc/42/24/17/349422417.db2.gz YJAYWUSDUONSNT-SECBINFHSA-N 0 3 240.303 0.530 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)Nc1cccnc1 ZINC000623062741 349427719 /nfs/dbraw/zinc/42/77/19/349427719.db2.gz ZLBPIKCWHJOMNG-WPRPVWTQSA-N 0 3 238.266 0.903 20 0 BCADHN CNC(=O)CN1CCCCC[C@@H]1CCO ZINC000342068599 538045080 /nfs/dbraw/zinc/04/50/80/538045080.db2.gz SQRDZYQTRYPCJA-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN CN1CCN(Cc2cn[nH]c2)CC1(C)C ZINC000660465618 490270273 /nfs/dbraw/zinc/27/02/73/490270273.db2.gz NRPNFCYPJLQVNJ-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N1C2CCC1CC2 ZINC000603661722 350009974 /nfs/dbraw/zinc/00/99/74/350009974.db2.gz TWIWSXNCLBPGJK-AFPNSQJFSA-N 0 3 225.292 0.457 20 0 BCADHN CNCC(=O)N1CCc2ccccc2CC1 ZINC000070620784 350032114 /nfs/dbraw/zinc/03/21/14/350032114.db2.gz JMLUCYFCMIQPJJ-UHFFFAOYSA-N 0 3 218.300 0.833 20 0 BCADHN C[C@@H](N)C(=O)Nc1ncccc1OC(F)F ZINC000563094513 350013905 /nfs/dbraw/zinc/01/39/05/350013905.db2.gz LQBHVBSQAYIRHD-RXMQYKEDSA-N 0 3 231.202 0.969 20 0 BCADHN C[C@@H](N)C(=O)N1CCCC[C@H]1C(F)F ZINC000638703465 352541618 /nfs/dbraw/zinc/54/16/18/352541618.db2.gz IDNAGIMYXQMORD-RQJHMYQMSA-N 0 3 206.236 0.980 20 0 BCADHN CO[C@H]1CCCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000076245029 190992057 /nfs/dbraw/zinc/99/20/57/190992057.db2.gz YYBXJUWBSXFUKH-IUCAKERBSA-N 0 3 249.332 0.057 20 0 BCADHN C[C@H](N[C@@H]1CCCOC1)C(=O)N(C)C ZINC000071013390 350081288 /nfs/dbraw/zinc/08/12/88/350081288.db2.gz XAJNGYQIHVBWCY-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CN(C)C[C@@H]1CCCN1c1cc(C#N)cnn1 ZINC000397002779 350034189 /nfs/dbraw/zinc/03/41/89/350034189.db2.gz UQROZXSVJKFRQQ-NSHDSACASA-N 0 3 231.303 0.879 20 0 BCADHN Cc1nn(C)cc1CNCC1(C)COC1 ZINC000126037993 191007538 /nfs/dbraw/zinc/00/75/38/191007538.db2.gz RTTHEHZYMULNDN-UHFFFAOYSA-N 0 3 209.293 0.855 20 0 BCADHN CC(C)(N)C(=O)NCc1cn2c(n1)CCCC2 ZINC000083935027 191007813 /nfs/dbraw/zinc/00/78/13/191007813.db2.gz HSCPCLXKOPESSI-UHFFFAOYSA-N 0 3 236.319 0.573 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C[C@H]2CSCCN2)CO1 ZINC000402230532 350082276 /nfs/dbraw/zinc/08/22/76/350082276.db2.gz URXFATLTDIQTPA-BBBLOLIVSA-N 0 3 244.360 0.375 20 0 BCADHN Cc1ncsc1CNC(=O)CNC1CC1 ZINC000070837714 350068010 /nfs/dbraw/zinc/06/80/10/350068010.db2.gz CZDRFXIPCOUUNX-UHFFFAOYSA-N 0 3 225.317 0.820 20 0 BCADHN CC[C@H](C)CS(=O)(=O)C(C)C(N)=O ZINC000131268497 191010314 /nfs/dbraw/zinc/01/03/14/191010314.db2.gz ORHZDGNLSUIFRA-BQBZGAKWSA-N 0 3 207.295 0.321 20 0 BCADHN Cc1nnc(C(=O)N2CC[C@@H](F)[C@H](N)C2)s1 ZINC000623072481 350105694 /nfs/dbraw/zinc/10/56/94/350105694.db2.gz BXSDLJUPOWOFIJ-RNFRBKRXSA-N 0 3 244.295 0.358 20 0 BCADHN CCCC(=O)N(CCN(C)C)CCN(C)C ZINC000103210887 323246071 /nfs/dbraw/zinc/24/60/71/323246071.db2.gz IZAQLVUCPHEOLC-UHFFFAOYSA-N 0 3 229.368 0.738 20 0 BCADHN NC(=O)CN(CCCCO)C1CCCC1 ZINC000303409954 350115012 /nfs/dbraw/zinc/11/50/12/350115012.db2.gz VSPQIMWGYMOLBB-UHFFFAOYSA-N 0 3 214.309 0.489 20 0 BCADHN Cc1nnc([C@H]2CCCN(C(=O)[C@@H](C)N)C2)[nH]1 ZINC000353209083 180055170 /nfs/dbraw/zinc/05/51/70/180055170.db2.gz VNVDVFDFBAWBBF-APPZFPTMSA-N 0 3 237.307 0.166 20 0 BCADHN C[C@@H](O)CN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132063906 191024165 /nfs/dbraw/zinc/02/41/65/191024165.db2.gz MNAHAOVIPGVAON-UTLUCORTSA-N 0 3 235.349 0.313 20 0 BCADHN CCOCCCCN[C@H](C)CS(C)(=O)=O ZINC000132113796 191025219 /nfs/dbraw/zinc/02/52/19/191025219.db2.gz CYVQPHRCHCRSCL-SNVBAGLBSA-N 0 3 237.365 0.826 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@@H]1CCCN1C ZINC000132125356 191025567 /nfs/dbraw/zinc/02/55/67/191025567.db2.gz BJBVRSZUIPYPOO-QWRGUYRKSA-N 0 3 248.392 0.493 20 0 BCADHN COCCN[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000132087620 191025646 /nfs/dbraw/zinc/02/56/46/191025646.db2.gz JZKUEGOISDCFFP-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CCC(CC)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000668505887 490341364 /nfs/dbraw/zinc/34/13/64/490341364.db2.gz DTAPFUAIWAEXCR-ZJUUUORDSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCCC[C@@H]1CO ZINC000132192963 191028299 /nfs/dbraw/zinc/02/82/99/191028299.db2.gz SAGDCWOUZHHCHR-GMTAPVOTSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@H](CCO)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000132248876 191028981 /nfs/dbraw/zinc/02/89/81/191028981.db2.gz SZLKEQKIRFLYLC-GMTAPVOTSA-N 0 3 249.376 0.703 20 0 BCADHN Cc1nc2ccc(NCCN3CCCC3)nn2n1 ZINC000286403778 180096321 /nfs/dbraw/zinc/09/63/21/180096321.db2.gz ODTBKADNQWAJEM-UHFFFAOYSA-N 0 3 246.318 0.940 20 0 BCADHN Cc1nc2ccccn2c1CN(C)CCC(N)=O ZINC000353186950 180106626 /nfs/dbraw/zinc/10/66/26/180106626.db2.gz FAWABRNXHZOSJF-UHFFFAOYSA-N 0 3 246.314 0.950 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCC[C@@H]1CCO ZINC000304571119 350157612 /nfs/dbraw/zinc/15/76/12/350157612.db2.gz PCIRYYLMCDRDIH-MNOVXSKESA-N 0 3 245.319 0.147 20 0 BCADHN CCOC(=O)CCN[C@](C)(CC)C(N)=O ZINC000133233857 191039110 /nfs/dbraw/zinc/03/91/10/191039110.db2.gz IMXADRCMQBTLAH-SNVBAGLBSA-N 0 3 216.281 0.183 20 0 BCADHN CCSCCN[C@](C)(CC)C(N)=O ZINC000133344381 191040379 /nfs/dbraw/zinc/04/03/79/191040379.db2.gz APNSMYREHDWUOQ-SECBINFHSA-N 0 3 204.339 0.983 20 0 BCADHN CCc1cc(N2CCC[C@](O)(CO)C2)ccn1 ZINC000313666434 350164255 /nfs/dbraw/zinc/16/42/55/350164255.db2.gz JAWNXUFRISGFRS-CYBMUJFWSA-N 0 3 236.315 0.968 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CCC[C@@]1(C)CO ZINC000427006349 191050116 /nfs/dbraw/zinc/05/01/16/191050116.db2.gz CEDCOGFDUUMBTP-AAEUAGOBSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1ncc(CN(C)C(=O)[C@@H]2C[C@@H]2N)s1 ZINC000050462704 180137159 /nfs/dbraw/zinc/13/71/59/180137159.db2.gz IPTGWJNSFHWMLW-BDAKNGLRSA-N 0 3 225.317 0.757 20 0 BCADHN Cc1ncc(CNC[C@]2(O)CCN(C)C2)s1 ZINC000336762172 180152870 /nfs/dbraw/zinc/15/28/70/180152870.db2.gz LESHCCMCJGRWHH-LLVKDONJSA-N 0 3 241.360 0.608 20 0 BCADHN Cc1ncc(CNC[C@H]2COCCO2)cn1 ZINC000309625958 180152946 /nfs/dbraw/zinc/15/29/46/180152946.db2.gz FTAYHJURKAGYCA-NSHDSACASA-N 0 3 223.276 0.290 20 0 BCADHN Cc1ncc(CN[C@H](C)[C@H](C)CO)cn1 ZINC000336770734 180158729 /nfs/dbraw/zinc/15/87/29/180158729.db2.gz WXAXIFMXDKACIN-RKDXNWHRSA-N 0 3 209.293 0.892 20 0 BCADHN Cc1ncc(NC(=O)[C@H](N)CC(F)F)cn1 ZINC000345690218 180169009 /nfs/dbraw/zinc/16/90/09/180169009.db2.gz KIURHRAGLCPCAD-SSDOTTSWSA-N 0 3 230.218 0.706 20 0 BCADHN Cc1ncc(CN2C[C@H](CO)[C@H](C)C2)cn1 ZINC000352404359 180145368 /nfs/dbraw/zinc/14/53/68/180145368.db2.gz AVWADGPUSZDGNL-BXKDBHETSA-N 0 3 221.304 0.845 20 0 BCADHN Cc1ncc(CN2CC[C@H](CO)[C@H]2C)cn1 ZINC000352405520 180146048 /nfs/dbraw/zinc/14/60/48/180146048.db2.gz IFFWDKXAOHENSR-BXKDBHETSA-N 0 3 221.304 0.988 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N(C)CC1CCCC1 ZINC000049492082 191071344 /nfs/dbraw/zinc/07/13/44/191071344.db2.gz NYBGRYOCKFFQRB-SECBINFHSA-N 0 3 241.335 0.953 20 0 BCADHN CN[C@@H](C)C(=O)NC1CCSCC1 ZINC000220752945 350184812 /nfs/dbraw/zinc/18/48/12/350184812.db2.gz UQVHFRYUVQFPGD-ZETCQYMHSA-N 0 3 202.323 0.606 20 0 BCADHN C[C@H]1CN(c2ncnc3n[nH]cc32)[C@@H](C)CN1 ZINC000003716209 350189112 /nfs/dbraw/zinc/18/91/12/350189112.db2.gz JVCBYGYYTZRSAT-YUMQZZPRSA-N 0 3 232.291 0.540 20 0 BCADHN CCO[C@@]1(C)C[C@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000637146670 350219102 /nfs/dbraw/zinc/21/91/02/350219102.db2.gz YWSUBFICKVCLJT-UMNHJUIQSA-N 0 3 243.351 0.803 20 0 BCADHN CCC[C@H](CCO)NC(=O)N[C@@H](C)CN(C)C ZINC000637147478 350220066 /nfs/dbraw/zinc/22/00/66/350220066.db2.gz OPOWPWSLORNTFP-WDEREUQCSA-N 0 3 245.367 0.787 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)N[C@@H](C)CN(C)C)C1 ZINC000637147284 350220340 /nfs/dbraw/zinc/22/03/40/350220340.db2.gz IQPPYEOVOIXUQA-GUBZILKMSA-N 0 3 229.324 0.413 20 0 BCADHN CN(C)CCNC(=O)COC1CCCC1 ZINC000044264031 350203866 /nfs/dbraw/zinc/20/38/66/350203866.db2.gz BJHCORBHMMRCKS-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN Cc1nccc(CNC(=O)[C@]2(C)CCCCN2)n1 ZINC000136178456 180188286 /nfs/dbraw/zinc/18/82/86/180188286.db2.gz QHXOUWGQWHCLDY-ZDUSSCGKSA-N 0 3 248.330 0.933 20 0 BCADHN CCN(CCNC(=O)CC(C)(C)O)C1CC1 ZINC000349512148 490398966 /nfs/dbraw/zinc/39/89/66/490398966.db2.gz WRJIMOUAYMGWEB-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN Cc1ncccc1CNC[C@@]1(O)CCOC1 ZINC000126192926 180222992 /nfs/dbraw/zinc/22/29/92/180222992.db2.gz RLXCOXQDEOPTRB-LBPRGKRZSA-N 0 3 222.288 0.631 20 0 BCADHN Cc1ncccc1O[C@@H]1CCN(CCO)C1 ZINC000375974628 180228651 /nfs/dbraw/zinc/22/86/51/180228651.db2.gz KOQYTWCZPHFPIY-LLVKDONJSA-N 0 3 222.288 0.835 20 0 BCADHN Cc1nccn1CCCCNC(=O)[C@H](C)N ZINC000340186386 180236585 /nfs/dbraw/zinc/23/65/85/180236585.db2.gz QVXIJTDRPRXORB-VIFPVBQESA-N 0 3 224.308 0.435 20 0 BCADHN C[C@@H](N[C@H]1CN(C)C[C@@H]1C)C(=O)N(C)C ZINC000309082056 323314362 /nfs/dbraw/zinc/31/43/62/323314362.db2.gz RDDKQEOPPVHCFX-AEJSXWLSSA-N 0 3 213.325 0.003 20 0 BCADHN CC[C@@H](C(=O)N[C@H](CCOC)COC)N(C)C ZINC000427608402 191084149 /nfs/dbraw/zinc/08/41/49/191084149.db2.gz YKMDCONHWSGJOP-MNOVXSKESA-N 0 3 246.351 0.494 20 0 BCADHN Cc1nccn1CCN(C)CC(=O)NC1CC1 ZINC000270662610 180246707 /nfs/dbraw/zinc/24/67/07/180246707.db2.gz PFFKSUQRYMRNSZ-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN Cc1nccn1CCNC(=O)/C=C/CN(C)C ZINC000265681614 180255469 /nfs/dbraw/zinc/25/54/69/180255469.db2.gz VYERMUFWUCOPKZ-SNAWJCMRSA-N 0 3 236.319 0.426 20 0 BCADHN Cc1nccn1CCN1CCOC[C@@H]1C ZINC000270681916 180256131 /nfs/dbraw/zinc/25/61/31/180256131.db2.gz VEMQXUHENLNERG-JTQLQIEISA-N 0 3 209.293 0.912 20 0 BCADHN CC(C)CN(C)C(=O)C(C)S(C)(=O)=O ZINC000049673228 350251458 /nfs/dbraw/zinc/25/14/58/350251458.db2.gz DPLNQGFXMAMOJA-QMMMGPOBSA-N 0 3 221.322 0.534 20 0 BCADHN Cc1nccn1CCCNC1(C(N)=O)CC1 ZINC000336743052 180245528 /nfs/dbraw/zinc/24/55/28/180245528.db2.gz SSDHADAKKNCOLL-UHFFFAOYSA-N 0 3 222.292 0.189 20 0 BCADHN Cc1nccn1CCN[C@H]1C(=O)NCC[C@H]1C ZINC000282401729 180263631 /nfs/dbraw/zinc/26/36/31/180263631.db2.gz PRVNEAGHKDIKRD-MWLCHTKSSA-N 0 3 236.319 0.306 20 0 BCADHN CCCNC(=O)CN1CCN(CC(C)C)CC1 ZINC000049969386 350269730 /nfs/dbraw/zinc/26/97/30/350269730.db2.gz KTVKHMLSWNVRLE-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN CCCN(CCCOCC)CC(N)=O ZINC000429136999 191094567 /nfs/dbraw/zinc/09/45/67/191094567.db2.gz YBFJHQOATISCBD-UHFFFAOYSA-N 0 3 202.298 0.610 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@H]1CCCOC1 ZINC000038046084 350303308 /nfs/dbraw/zinc/30/33/08/350303308.db2.gz QQGHXOMAPQMIMR-ZJUUUORDSA-N 0 3 214.309 0.513 20 0 BCADHN COCCC(=O)NCCN1CCC(OC)CC1 ZINC000079671100 490456560 /nfs/dbraw/zinc/45/65/60/490456560.db2.gz FPVJCHSRCYQXDU-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN Cc1ncncc1C(=O)NC[C@@H](C)N(C)C ZINC000298728107 180294068 /nfs/dbraw/zinc/29/40/68/180294068.db2.gz IOCIBGKQXGKNCF-MRVPVSSYSA-N 0 3 222.292 0.465 20 0 BCADHN Cc1ncncc1C(=O)NC[C@H]1CCCN1C ZINC000299278066 180294481 /nfs/dbraw/zinc/29/44/81/180294481.db2.gz LLSSZFYYHSZEDT-SNVBAGLBSA-N 0 3 234.303 0.609 20 0 BCADHN CC(C)OCCCN[C@@H]1CCCS(=O)(=O)C1 ZINC000068939656 350313013 /nfs/dbraw/zinc/31/30/13/350313013.db2.gz ZNBHSISAUNOZAF-LLVKDONJSA-N 0 3 249.376 0.968 20 0 BCADHN CN1CCC(N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000068939798 350313814 /nfs/dbraw/zinc/31/38/14/350313814.db2.gz XAZNFGBTCXBNPV-NSHDSACASA-N 0 3 246.376 0.247 20 0 BCADHN CN1CCCC[C@@H]1C(=O)NCCN1CCCC1 ZINC000606346309 350315615 /nfs/dbraw/zinc/31/56/15/350315615.db2.gz UGAVXTXXKJTSSF-GFCCVEGCSA-N 0 3 239.363 0.683 20 0 BCADHN COC(=O)CCCN(C)C(=O)CNC1CC1 ZINC000037813223 350289759 /nfs/dbraw/zinc/28/97/59/350289759.db2.gz SQOWILDKAAWBJB-UHFFFAOYSA-N 0 3 228.292 0.150 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(N)=O)C12CCC2 ZINC000083684763 350289965 /nfs/dbraw/zinc/28/99/65/350289965.db2.gz KGLYYHPYOUHFSE-IVZWLZJFSA-N 0 3 226.320 0.798 20 0 BCADHN C[C@@H](N[C@@H](C)[C@H]1CCCO1)C(=O)N(C)C ZINC000309144094 323320138 /nfs/dbraw/zinc/32/01/38/323320138.db2.gz UOAJUDSNLBEZKH-IVZWLZJFSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@@H]1[C@H](CO)CCN1C(=O)[C@@H]1CCCN1C ZINC000427834165 191093974 /nfs/dbraw/zinc/09/39/74/191093974.db2.gz JBZQOUNAOOTDDL-VWYCJHECSA-N 0 3 226.320 0.310 20 0 BCADHN Cc1n[nH]cc1CCCNC(=O)[C@@H]1C[C@@H]1N ZINC000050465673 350343540 /nfs/dbraw/zinc/34/35/40/350343540.db2.gz KKQJCJSNMGFBOM-ZJUUUORDSA-N 0 3 222.292 0.114 20 0 BCADHN Cc1nn(C)cc1CNCC1(CO)CC1 ZINC000126064624 490480843 /nfs/dbraw/zinc/48/08/43/490480843.db2.gz IQLSAMAGQVEIFU-UHFFFAOYSA-N 0 3 209.293 0.591 20 0 BCADHN CNC(=O)NC(=O)CN(C)[C@@H](C)C(C)C ZINC000030148921 350371513 /nfs/dbraw/zinc/37/15/13/350371513.db2.gz HEUFGAQTNUKSGZ-QMMMGPOBSA-N 0 3 215.297 0.418 20 0 BCADHN Cc1nn(-c2ccccn2)c(C)c1CNCCO ZINC000282670620 180330702 /nfs/dbraw/zinc/33/07/02/180330702.db2.gz NREQJYYBROWVNK-UHFFFAOYSA-N 0 3 246.314 0.966 20 0 BCADHN CCOC[C@H](O)CN1CCSC[C@@H]1C ZINC000069761322 350398009 /nfs/dbraw/zinc/39/80/09/350398009.db2.gz LUUYZJFRQKSZLW-VHSXEESVSA-N 0 3 219.350 0.821 20 0 BCADHN NC(=O)CCN[C@@H]1COc2ccccc2C1 ZINC000328488436 350399131 /nfs/dbraw/zinc/39/91/31/350399131.db2.gz RRVPHNAWOVFXHC-JTQLQIEISA-N 0 3 220.272 0.455 20 0 BCADHN Cc1ncsc1CNC[C@]1(O)CCN(C)C1 ZINC000336769731 180321620 /nfs/dbraw/zinc/32/16/20/180321620.db2.gz SKBSOQNZPGIAED-LLVKDONJSA-N 0 3 241.360 0.608 20 0 BCADHN C[C@@H](CCO)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000606650157 350402001 /nfs/dbraw/zinc/40/20/01/350402001.db2.gz BZGCEKZOGVAGCX-VHSXEESVSA-N 0 3 229.324 0.151 20 0 BCADHN CC[C@H](COC)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000606650278 350402069 /nfs/dbraw/zinc/40/20/69/350402069.db2.gz GWVHCVYSUACTTK-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@H](COC)NC(=O)N[C@H]1CCCN(C)C1 ZINC000606650279 350402079 /nfs/dbraw/zinc/40/20/79/350402079.db2.gz GWVHCVYSUACTTK-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H](NC(=O)N[C@H]1CCCN(C)C1)C(C)(C)O ZINC000606650316 350402782 /nfs/dbraw/zinc/40/27/82/350402782.db2.gz IJZPDEOUUSRXHX-UWVGGRQHSA-N 0 3 243.351 0.539 20 0 BCADHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H](C)N ZINC000353721890 180342353 /nfs/dbraw/zinc/34/23/53/180342353.db2.gz FRJGKZOOXNRNFC-YUMQZZPRSA-N 0 3 238.335 0.431 20 0 BCADHN Cc1nn(C)c(C)c1CNC(=O)[C@H](N)C(C)C ZINC000092327440 180337465 /nfs/dbraw/zinc/33/74/65/180337465.db2.gz FHMUITPUMGWTSG-LLVKDONJSA-N 0 3 238.335 0.636 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@@H]1CCC(=O)NC1 ZINC000110911072 180339502 /nfs/dbraw/zinc/33/95/02/180339502.db2.gz ITWWRUZAJWCOIP-SNVBAGLBSA-N 0 3 236.319 0.405 20 0 BCADHN C[C@@H](N)C(=O)NCCOc1ccccc1 ZINC000034328461 350466702 /nfs/dbraw/zinc/46/67/02/350466702.db2.gz JJYGZUDMMYBXPM-SECBINFHSA-N 0 3 208.261 0.529 20 0 BCADHN COC(=O)CCCCCNC(=O)[C@@H](C)N ZINC000034206568 350464681 /nfs/dbraw/zinc/46/46/81/350464681.db2.gz MPTDEOFISYHPMY-MRVPVSSYSA-N 0 3 216.281 0.183 20 0 BCADHN CC(C)CN1CCN(CCn2cncn2)CC1 ZINC000336686189 350442213 /nfs/dbraw/zinc/44/22/13/350442213.db2.gz FYGMXLJXNXWHDH-UHFFFAOYSA-N 0 3 237.351 0.552 20 0 BCADHN COC[C@H](O)CNCc1ccnc(C)c1 ZINC000391189267 350491660 /nfs/dbraw/zinc/49/16/60/350491660.db2.gz NWKHTTYXRHFGBP-LLVKDONJSA-N 0 3 210.277 0.487 20 0 BCADHN Cc1nn(C)cc1[C@H]1CCCN1CCO ZINC000363919726 180383150 /nfs/dbraw/zinc/38/31/50/180383150.db2.gz GZJQKLYNFUIQOZ-LLVKDONJSA-N 0 3 209.293 0.858 20 0 BCADHN O=S1(=O)CCC[C@H](N[C@H]2CC23CC3)C1 ZINC000335277516 538094234 /nfs/dbraw/zinc/09/42/34/538094234.db2.gz IWAZPRDKYQZAAL-IUCAKERBSA-N 0 3 215.318 0.706 20 0 BCADHN C[C@@H](O)C[C@@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000637380339 350501826 /nfs/dbraw/zinc/50/18/26/350501826.db2.gz MQLHVJKGIKEQFX-GMTAPVOTSA-N 0 3 243.351 0.539 20 0 BCADHN Cc1ncc(CN[C@@H](CO)C(C)C)cn1 ZINC000336759368 350504092 /nfs/dbraw/zinc/50/40/92/350504092.db2.gz LGWITJSTCNUTIM-NSHDSACASA-N 0 3 209.293 0.892 20 0 BCADHN c1cn(CCN2CCC[C@H](n3cncn3)C2)cn1 ZINC000163178266 350504642 /nfs/dbraw/zinc/50/46/42/350504642.db2.gz WMEWLIMCKKAISO-LBPRGKRZSA-N 0 3 246.318 0.812 20 0 BCADHN CCN(CCO)C(=O)[C@@H](C(C)C)N(C)C ZINC000163116677 350505630 /nfs/dbraw/zinc/50/56/30/350505630.db2.gz HFPZAMXKTDFYDH-SNVBAGLBSA-N 0 3 216.325 0.413 20 0 BCADHN C[C@@H](O)C[C@H]1CCCCN1CC(=O)N(C)C ZINC000163111534 350506008 /nfs/dbraw/zinc/50/60/08/350506008.db2.gz HNOKPFGKTDBWDU-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H](NC(=O)[C@]1(F)CCNC1)c1ccccn1 ZINC000163552496 350528839 /nfs/dbraw/zinc/52/88/39/350528839.db2.gz AZSQSPCTXXCEAA-SKDRFNHKSA-N 0 3 237.278 0.960 20 0 BCADHN COC[C@@H](O)CNCc1ccc2cnn(C)c2c1 ZINC000577503179 365972237 /nfs/dbraw/zinc/97/22/37/365972237.db2.gz WDOZRQHADGACIX-LBPRGKRZSA-N 0 3 249.314 0.670 20 0 BCADHN O=C(COC1CNC1)NC1(C2CC2)CC1 ZINC000309471254 350537140 /nfs/dbraw/zinc/53/71/40/350537140.db2.gz AQUGNKCQZOZTFT-UHFFFAOYSA-N 0 3 210.277 0.034 20 0 BCADHN CCOCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000063115987 350571883 /nfs/dbraw/zinc/57/18/83/350571883.db2.gz OAKZZIWCRNKCDG-VIFPVBQESA-N 0 3 212.293 0.376 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1nccs1 ZINC000063135433 350573448 /nfs/dbraw/zinc/57/34/48/350573448.db2.gz AZULACIQDUGZLO-ZETCQYMHSA-N 0 3 213.306 0.410 20 0 BCADHN CC[C@H](COC)NC[C@@H](O)C(F)(F)F ZINC000070625577 350555350 /nfs/dbraw/zinc/55/53/50/350555350.db2.gz ADANRFQQYKFYFW-RNFRBKRXSA-N 0 3 215.215 0.924 20 0 BCADHN CSCCCN1C[C@@H]2[C@H](C1)OCCN2C ZINC000336646268 350558785 /nfs/dbraw/zinc/55/87/85/350558785.db2.gz KAIFSSJSALZYRD-MNOVXSKESA-N 0 3 230.377 0.754 20 0 BCADHN CCN1CCN(CCC(=O)NC2CCC2)CC1 ZINC000337411921 350581066 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WQYSYAVTGQUMAC-LLVKDONJSA-N 0 3 217.309 0.352 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000637838634 351693698 /nfs/dbraw/zinc/69/36/98/351693698.db2.gz ACCWZECUGFIBTN-UTUOFQBUSA-N 0 3 241.379 0.959 20 0 BCADHN COCCOC[C@@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000572281764 323586207 /nfs/dbraw/zinc/58/62/07/323586207.db2.gz RBKWGGYYQGIMET-MWLCHTKSSA-N 0 3 244.335 0.282 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCN[C@H](C)C1 ZINC000637840713 351696623 /nfs/dbraw/zinc/69/66/23/351696623.db2.gz HJPLNQJTPQZLSW-MNOVXSKESA-N 0 3 227.352 0.570 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@H](C)N1 ZINC000637841085 351696848 /nfs/dbraw/zinc/69/68/48/351696848.db2.gz QFAWNLRXBZOYSJ-SRVKXCTJSA-N 0 3 239.363 0.680 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1CCNCC1(C)C ZINC000637857151 351717159 /nfs/dbraw/zinc/71/71/59/351717159.db2.gz MJRSUDUPPRSBCD-UHFFFAOYSA-N 0 3 236.319 0.471 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)Nc1cccc2c1CCN2 ZINC000637862070 351722905 /nfs/dbraw/zinc/72/29/05/351722905.db2.gz OWWPFRIEDRQBAM-SKDRFNHKSA-N 0 3 247.298 0.709 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N1CCCCCC1 ZINC000637866709 351727440 /nfs/dbraw/zinc/72/74/40/351727440.db2.gz BWLUYMGVLCSWDG-ZJUUUORDSA-N 0 3 212.293 0.505 20 0 BCADHN COCCCNC(=O)[C@@H](N)CCC(C)C ZINC000637868936 351728918 /nfs/dbraw/zinc/72/89/18/351728918.db2.gz GIZZFUBHAVYRNV-JTQLQIEISA-N 0 3 216.325 0.903 20 0 BCADHN CC(C)CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000637868895 351728955 /nfs/dbraw/zinc/72/89/55/351728955.db2.gz FSNOKNSVFXVIEL-DTWKUNHWSA-N 0 3 200.282 0.265 20 0 BCADHN COCCCNC(=O)[C@H](N)CCC(C)C ZINC000637868937 351729241 /nfs/dbraw/zinc/72/92/41/351729241.db2.gz GIZZFUBHAVYRNV-SNVBAGLBSA-N 0 3 216.325 0.903 20 0 BCADHN CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000637871358 351733185 /nfs/dbraw/zinc/73/31/85/351733185.db2.gz MOEHTFWAPAXANE-LBPRGKRZSA-N 0 3 235.331 0.582 20 0 BCADHN Cc1csc(NC(=O)[C@@H]2OCC[C@@H]2N)n1 ZINC000637871906 351733907 /nfs/dbraw/zinc/73/39/07/351733907.db2.gz CAAMHDLKKLQMML-NKWVEPMBSA-N 0 3 227.289 0.506 20 0 BCADHN CCN[C@H](C)C(=O)NCCCN1CCCC1=O ZINC000637871705 351734029 /nfs/dbraw/zinc/73/40/29/351734029.db2.gz UXSIKBMUMHSGGQ-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN CCNC(=O)[C@]1(COC)CCCCN1 ZINC000637872433 351734740 /nfs/dbraw/zinc/73/47/40/351734740.db2.gz ZERBCIGKQNSBEP-SNVBAGLBSA-N 0 3 200.282 0.281 20 0 BCADHN CCCCN(C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000637870475 351736632 /nfs/dbraw/zinc/73/66/32/351736632.db2.gz STQCOZNYJYBWKX-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN CCc1nnc(NC(=O)[C@@H]2OCC[C@@H]2N)s1 ZINC000637877662 351743307 /nfs/dbraw/zinc/74/33/07/351743307.db2.gz XHUDYIJJNYTJSF-CAHLUQPWSA-N 0 3 242.304 0.155 20 0 BCADHN CCCNC(=O)[C@]1(COC)CCCCN1 ZINC000637875481 351744426 /nfs/dbraw/zinc/74/44/26/351744426.db2.gz GYVAOBWDHCMOEF-LLVKDONJSA-N 0 3 214.309 0.671 20 0 BCADHN CCN[C@H](C)C(=O)Nc1cc(C)nn1C ZINC000637878693 351745121 /nfs/dbraw/zinc/74/51/21/351745121.db2.gz JYRSFUFHHIPMBV-MRVPVSSYSA-N 0 3 210.281 0.665 20 0 BCADHN CC(C)C1(CN2CCN(CC(N)=O)CC2)CC1 ZINC000637881799 351748099 /nfs/dbraw/zinc/74/80/99/351748099.db2.gz OEQBZWOVGXZANR-UHFFFAOYSA-N 0 3 239.363 0.526 20 0 BCADHN COCCN1CCN(CCC[C@H]2CCO2)CC1 ZINC000637882700 351749624 /nfs/dbraw/zinc/74/96/24/351749624.db2.gz WDCCOWDIGNNENK-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000637930361 351805692 /nfs/dbraw/zinc/80/56/92/351805692.db2.gz WBEBLNVZOPYBTQ-PWSUYJOCSA-N 0 3 248.282 0.676 20 0 BCADHN CC(C)[C@H]1CCCN1Cc1cnc(N)nc1N ZINC000637909075 351783078 /nfs/dbraw/zinc/78/30/78/351783078.db2.gz ONCADYDJWIKMLA-SNVBAGLBSA-N 0 3 235.335 0.922 20 0 BCADHN CCC[C@@H](C)N(C)Cc1cnc(N)nc1N ZINC000637911018 351785090 /nfs/dbraw/zinc/78/50/90/351785090.db2.gz IKWUTRNTZZBQQH-MRVPVSSYSA-N 0 3 223.324 0.922 20 0 BCADHN C[C@H]1CCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000637916503 351791444 /nfs/dbraw/zinc/79/14/44/351791444.db2.gz CCHYGRGYJFRQSZ-XWLWVQCSSA-N 0 3 226.320 0.798 20 0 BCADHN COC[C@]1(C(=O)N(C)C2CC2)CCCCN1 ZINC000637921057 351796113 /nfs/dbraw/zinc/79/61/13/351796113.db2.gz AMIQGHQARBLRGX-LBPRGKRZSA-N 0 3 226.320 0.766 20 0 BCADHN COC[C@]1(C(=O)NC[C@@H]2C[C@H]2C)CCCCN1 ZINC000637924855 351798427 /nfs/dbraw/zinc/79/84/27/351798427.db2.gz FPLHPXXNWGTGES-MDZLAQPJSA-N 0 3 240.347 0.917 20 0 BCADHN CC(=O)NCCCNC(=O)[C@H](N)CCC(C)C ZINC000637925403 351799108 /nfs/dbraw/zinc/79/91/08/351799108.db2.gz UNXBESGFLYWUJS-LLVKDONJSA-N 0 3 243.351 0.392 20 0 BCADHN CCN[C@@H](C)C(=O)NCC1CCOCC1 ZINC000637923679 351799253 /nfs/dbraw/zinc/79/92/53/351799253.db2.gz ANXWNFPVBSJWHE-VIFPVBQESA-N 0 3 214.309 0.527 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NCC(=O)NC(C)C ZINC000637892984 351762172 /nfs/dbraw/zinc/76/21/72/351762172.db2.gz WETGRIBUAROLMB-SNVBAGLBSA-N 0 3 243.351 0.391 20 0 BCADHN C=Cn1cc(CNC[C@H](O)[C@@H]2CCCO2)cn1 ZINC000623620809 363090816 /nfs/dbraw/zinc/09/08/16/363090816.db2.gz BJFUPKPGWMOHSI-RYUDHWBXSA-N 0 3 237.303 0.613 20 0 BCADHN Cn1cc(CCNCc2ccnn2C)cn1 ZINC000082395022 180641020 /nfs/dbraw/zinc/64/10/20/180641020.db2.gz YPWSHIBVKHUYBJ-UHFFFAOYSA-N 0 3 219.292 0.486 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCc1cccc(F)c1 ZINC000637903925 351774178 /nfs/dbraw/zinc/77/41/78/351774178.db2.gz DVIOVLUHNDOXGI-MNOVXSKESA-N 0 3 238.262 0.558 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@@H]1CCCCO1 ZINC000637943699 351820253 /nfs/dbraw/zinc/82/02/53/351820253.db2.gz QBFLRXODAWERAU-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@@H](C)O1 ZINC000637950360 351824945 /nfs/dbraw/zinc/82/49/45/351824945.db2.gz COIOVVUCFYTZHP-VPOLOUISSA-N 0 3 242.319 0.129 20 0 BCADHN C[C@H](CNCCn1cccc1)S(C)(=O)=O ZINC000577841584 366079305 /nfs/dbraw/zinc/07/93/05/366079305.db2.gz XDOMXKXYTYBLAB-SNVBAGLBSA-N 0 3 230.333 0.511 20 0 BCADHN CCN[C@H](C)C(=O)NC(C)(C)COC ZINC000637964794 351838434 /nfs/dbraw/zinc/83/84/34/351838434.db2.gz LUPIVNIXRYJDGZ-MRVPVSSYSA-N 0 3 202.298 0.526 20 0 BCADHN CN(Cc1cnc(N)nc1N)CC1CC1 ZINC000637954919 351831908 /nfs/dbraw/zinc/83/19/08/351831908.db2.gz FHXZVKKXERGKBS-UHFFFAOYSA-N 0 3 207.281 0.144 20 0 BCADHN CC(=O)NCCN(C)C[C@@H]1CC[C@@H](C)O1 ZINC000577846522 366082504 /nfs/dbraw/zinc/08/25/04/366082504.db2.gz HVGSSZFWBIOSSN-KOLCDFICSA-N 0 3 214.309 0.622 20 0 BCADHN CCN[C@H](C)C(=O)N1CCCC[C@@H]1CC(N)=O ZINC000637956792 351832273 /nfs/dbraw/zinc/83/22/73/351832273.db2.gz BXOLMWPTPXRXAV-NXEZZACHSA-N 0 3 241.335 0.241 20 0 BCADHN CCN[C@@H](C)C(=O)NCCOC[C@H]1CCCO1 ZINC000637959917 351833702 /nfs/dbraw/zinc/83/37/02/351833702.db2.gz KOKYKPLEGKMQGK-WDEREUQCSA-N 0 3 244.335 0.296 20 0 BCADHN C[C@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000637958278 351834472 /nfs/dbraw/zinc/83/44/72/351834472.db2.gz PAVUEQDNDALMFG-GARJFASQSA-N 0 3 226.320 0.751 20 0 BCADHN CCN[C@H](C)C(=O)NCc1cc(C)no1 ZINC000637958695 351834524 /nfs/dbraw/zinc/83/45/24/351834524.db2.gz USVXYGNXOCQVKX-MRVPVSSYSA-N 0 3 211.265 0.597 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000637961221 351834978 /nfs/dbraw/zinc/83/49/78/351834978.db2.gz NCVGRWWJPSYSKL-ZJUUUORDSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000637961219 351835258 /nfs/dbraw/zinc/83/52/58/351835258.db2.gz NCVGRWWJPSYSKL-VHSXEESVSA-N 0 3 241.335 0.097 20 0 BCADHN CCC[C@H](CC)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000637961724 351835826 /nfs/dbraw/zinc/83/58/26/351835826.db2.gz PPSXVDWWISLFPA-LPEHRKFASA-N 0 3 214.309 0.798 20 0 BCADHN COC[C@]1(C(=O)N[C@@H]2C[C@H]2C)CCCCN1 ZINC000637933203 351810372 /nfs/dbraw/zinc/81/03/72/351810372.db2.gz ACHGPZJQNYJTFA-FOGDFJRCSA-N 0 3 226.320 0.670 20 0 BCADHN CNC(=O)CCN(C)C(=O)[C@@H](N)CCC(C)C ZINC000637977636 351855743 /nfs/dbraw/zinc/85/57/43/351855743.db2.gz JNPHFMPLUOQPBY-JTQLQIEISA-N 0 3 243.351 0.344 20 0 BCADHN CCN[C@@H](C)C(=O)NCCC(=O)NC(C)(C)C ZINC000637979964 351857311 /nfs/dbraw/zinc/85/73/11/351857311.db2.gz PNHLLUPNQGFVEY-VIFPVBQESA-N 0 3 243.351 0.405 20 0 BCADHN CCN[C@H](C)C(=O)NCCCc1cnn(C)c1 ZINC000637980096 351857556 /nfs/dbraw/zinc/85/75/56/351857556.db2.gz UYSLZXOVQNRQPL-SNVBAGLBSA-N 0 3 238.335 0.467 20 0 BCADHN CC[C@H]1CCCN1Cc1cnc(N)nc1N ZINC000637965450 351839755 /nfs/dbraw/zinc/83/97/55/351839755.db2.gz RYQWIIWKGZYRJM-VIFPVBQESA-N 0 3 221.308 0.676 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N1CCC2(CCC2)C1 ZINC000638004884 351879617 /nfs/dbraw/zinc/87/96/17/351879617.db2.gz VSVYPXFWPBPMFZ-ZJUUUORDSA-N 0 3 224.304 0.505 20 0 BCADHN O=S(=O)(CCCN1CCCC1)NCC1CC1 ZINC000631702846 363096669 /nfs/dbraw/zinc/09/66/69/363096669.db2.gz IIWBXMHIOIIACP-UHFFFAOYSA-N 0 3 246.376 0.802 20 0 BCADHN CCN[C@@H](C)C(=O)NCC1(C(N)=O)CCCC1 ZINC000638003903 351882893 /nfs/dbraw/zinc/88/28/93/351882893.db2.gz TZJZDKBCGYSVDA-VIFPVBQESA-N 0 3 241.335 0.146 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N[C@@H]1CCN(C)C1=O ZINC000637992094 351868945 /nfs/dbraw/zinc/86/89/45/351868945.db2.gz QOSKMWPDGYXRDI-VHSXEESVSA-N 0 3 241.335 0.097 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000637998474 351875493 /nfs/dbraw/zinc/87/54/93/351875493.db2.gz FJBLAXPVGYQNMJ-NXEZZACHSA-N 0 3 241.335 0.110 20 0 BCADHN OC[C@H]1CCN(Cc2c[nH]c3ncncc23)C1 ZINC000637997439 351875531 /nfs/dbraw/zinc/87/55/31/351875531.db2.gz RYZYZQASBONOBD-VIFPVBQESA-N 0 3 232.287 0.724 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000637998475 351875541 /nfs/dbraw/zinc/87/55/41/351875541.db2.gz FJBLAXPVGYQNMJ-UWVGGRQHSA-N 0 3 241.335 0.110 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2N)C1(C)C ZINC000638039572 351920848 /nfs/dbraw/zinc/92/08/48/351920848.db2.gz WOFSLZVDKHEDIO-AATLWQCWSA-N 0 3 242.319 0.032 20 0 BCADHN CCN[C@H](C)C(=O)NCCCn1ccnc1 ZINC000638047503 351926632 /nfs/dbraw/zinc/92/66/32/351926632.db2.gz JUXCYKNEKCTAGK-SNVBAGLBSA-N 0 3 224.308 0.387 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000638072091 351943311 /nfs/dbraw/zinc/94/33/11/351943311.db2.gz CDWDOQHKSMRNFV-UWVGGRQHSA-N 0 3 224.308 0.386 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](C)Cn1ccnc1 ZINC000638072096 351943664 /nfs/dbraw/zinc/94/36/64/351943664.db2.gz CDWDOQHKSMRNFV-ZJUUUORDSA-N 0 3 224.308 0.386 20 0 BCADHN COC(C)(C)C[C@H](C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638017742 351892925 /nfs/dbraw/zinc/89/29/25/351892925.db2.gz GSFIYWPZJCWJIY-LPEHRKFASA-N 0 3 244.335 0.422 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](COC)C(C)C ZINC000638016408 351894247 /nfs/dbraw/zinc/89/42/47/351894247.db2.gz RVCVDCROWOCWDR-VHSXEESVSA-N 0 3 216.325 0.772 20 0 BCADHN CC[C@@H](C)[C@H](CN(CCO)CCOC)OC ZINC000638022446 351901480 /nfs/dbraw/zinc/90/14/80/351901480.db2.gz RMUIWKYQHXWUIY-NEPJUHHUSA-N 0 3 233.352 0.988 20 0 BCADHN CC[C@@H](C)[C@@H](CN(CCO)CCOC)OC ZINC000638022449 351902208 /nfs/dbraw/zinc/90/22/08/351902208.db2.gz RMUIWKYQHXWUIY-VXGBXAGGSA-N 0 3 233.352 0.988 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1nccs1 ZINC000638077201 351952687 /nfs/dbraw/zinc/95/26/87/351952687.db2.gz QOFJKUBYVAQABN-ZETCQYMHSA-N 0 3 213.306 0.757 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N[C@H]1CCCN(C)C1 ZINC000638080148 351953207 /nfs/dbraw/zinc/95/32/07/351953207.db2.gz ZLUNTLUXFAXJNZ-RYUDHWBXSA-N 0 3 241.379 0.960 20 0 BCADHN C[C@H]1CN(Cc2cnc(N)nc2N)CC[C@@H]1C ZINC000638094293 351973865 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/nfs/dbraw/zinc/07/77/99/188077799.db2.gz UXPPZZZFZKXXCS-NSHDSACASA-N 0 3 245.367 0.596 20 0 BCADHN CC(C)[C@H](O)CNCc1ccc(C(N)=O)cc1 ZINC000134698044 188086443 /nfs/dbraw/zinc/08/64/43/188086443.db2.gz AJALGOYGCKUODS-GFCCVEGCSA-N 0 3 236.315 0.892 20 0 BCADHN CN(C(=O)c1cccc(=O)[nH]1)[C@@H]1CCCN(C)C1 ZINC000229981411 188080595 /nfs/dbraw/zinc/08/05/95/188080595.db2.gz XUWJMHJQUKPFRE-SNVBAGLBSA-N 0 3 249.314 0.541 20 0 BCADHN C1CC2(C1)[C@H](NC1COC1)[C@@H]1CCO[C@@H]12 ZINC000367908622 188082187 /nfs/dbraw/zinc/08/21/87/188082187.db2.gz CDFXMCSNLXFPKA-AXFHLTTASA-N 0 3 209.289 0.932 20 0 BCADHN CN(C)CCOCCN[C@H]1CCn2ccnc21 ZINC000345358269 188084863 /nfs/dbraw/zinc/08/48/63/188084863.db2.gz WQYTYFDEWQEGLI-NSHDSACASA-N 0 3 238.335 0.496 20 0 BCADHN CC(C)[C@@H](CO)NCC(=O)N1CCC[C@H](C)C1 ZINC000180616975 535203251 /nfs/dbraw/zinc/20/32/51/535203251.db2.gz IUPSSSKWOABTCR-NWDGAFQWSA-N 0 3 242.363 0.851 20 0 BCADHN CNC(=O)[C@H](CCSC)NCc1cc[nH]c1 ZINC000336759142 353168918 /nfs/dbraw/zinc/16/89/18/353168918.db2.gz ISNIYNWAOMTUOK-JTQLQIEISA-N 0 3 241.360 0.972 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@H]1CCSC1 ZINC000188482307 353173340 /nfs/dbraw/zinc/17/33/40/353173340.db2.gz JCVXDOZXNCWWQG-BDAKNGLRSA-N 0 3 216.350 0.948 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1cccc(N)n1 ZINC000051069948 353173851 /nfs/dbraw/zinc/17/38/51/353173851.db2.gz JTHAUBZTEQERIQ-JTQLQIEISA-N 0 3 248.330 0.878 20 0 BCADHN Cn1nncc1CNC[C@@]1(C)CCOC1 ZINC000328641243 180869960 /nfs/dbraw/zinc/86/99/60/180869960.db2.gz FLKBALGSEMOYPP-SNVBAGLBSA-N 0 3 210.281 0.331 20 0 BCADHN CC(C)(CNCc1ccc(CO)o1)OCCO ZINC000288513034 188096627 /nfs/dbraw/zinc/09/66/27/188096627.db2.gz TVGYZKHAIWEJOJ-UHFFFAOYSA-N 0 3 243.303 0.649 20 0 BCADHN CC(C)[C@H](O)CN(C)[C@@H](C)C[S@@](C)=O ZINC000340244108 188097878 /nfs/dbraw/zinc/09/78/78/188097878.db2.gz DMPQLPGUWLLNHT-IMSIIYSGSA-N 0 3 221.366 0.702 20 0 BCADHN COc1ccc(CCNC(=O)CN)cc1 ZINC000011956755 188105488 /nfs/dbraw/zinc/10/54/88/188105488.db2.gz AZTLQDPBXGUKIZ-UHFFFAOYSA-N 0 3 208.261 0.313 20 0 BCADHN COCCN1CCCN(C[C@H]2CCCO2)CC1 ZINC000613424883 363206242 /nfs/dbraw/zinc/20/62/42/363206242.db2.gz QXSXALQNBSIYGX-CYBMUJFWSA-N 0 3 242.363 0.820 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCCn1ccnc1 ZINC000020506378 188108516 /nfs/dbraw/zinc/10/85/16/188108516.db2.gz XGKSROQACYCRAA-NSHDSACASA-N 0 3 238.335 0.763 20 0 BCADHN Cn1cc(CNCCC[C@@H]2CCO2)nn1 ZINC000638975808 353181156 /nfs/dbraw/zinc/18/11/56/353181156.db2.gz QKJBKYDECHSHFC-SNVBAGLBSA-N 0 3 210.281 0.474 20 0 BCADHN C[C@@H](N)C(=O)Nc1cnn2c1CCCC2 ZINC000638978813 353186142 /nfs/dbraw/zinc/18/61/42/353186142.db2.gz PQRGLIOEIFOYBG-SSDOTTSWSA-N 0 3 208.265 0.505 20 0 BCADHN CC(C)CNC(=O)CN[C@@H]1CCC[C@]1(C)CO ZINC000331030696 353217045 /nfs/dbraw/zinc/21/70/45/353217045.db2.gz ZGDNEXNXDSQBGL-DGCLKSJQSA-N 0 3 242.363 0.899 20 0 BCADHN NCC(=O)NCc1cccc2c1CCOC2 ZINC000638989324 353217893 /nfs/dbraw/zinc/21/78/93/353217893.db2.gz IUZVHIVWVJDLKE-UHFFFAOYSA-N 0 3 220.272 0.334 20 0 BCADHN OCCCN(CCO)Cc1ccccc1 ZINC000049752719 188125791 /nfs/dbraw/zinc/12/57/91/188125791.db2.gz PIILXMKQXAAGHT-UHFFFAOYSA-N 0 3 209.289 0.863 20 0 BCADHN CC(C)([NH3+])CNC(=O)c1ccccc1[O-] ZINC000168373587 535208040 /nfs/dbraw/zinc/20/80/40/535208040.db2.gz RAGAOODPKWARPG-UHFFFAOYSA-N 0 3 208.261 0.859 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@H](O)C2CC2)n1 ZINC000078739420 188136442 /nfs/dbraw/zinc/13/64/42/188136442.db2.gz BBRZQZQFPKPIBI-LBPRGKRZSA-N 0 3 222.288 0.956 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)CC(C)(C)O ZINC000330978140 353208564 /nfs/dbraw/zinc/20/85/64/353208564.db2.gz MVHHUFSKGITYSM-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCC(=O)NC(C)C ZINC000035661147 188145872 /nfs/dbraw/zinc/14/58/72/188145872.db2.gz ZNNXNZAGGXNSEW-VIFPVBQESA-N 0 3 229.324 0.001 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@@](C)(O)C(C)C ZINC000331009546 353212156 /nfs/dbraw/zinc/21/21/56/353212156.db2.gz INCKFULVZORMJT-AAEUAGOBSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@H](N)C(=O)NC1CCC(C(N)=O)CC1 ZINC000037005372 188151794 /nfs/dbraw/zinc/15/17/94/188151794.db2.gz FPUVBGVNGFYDQR-RTBKNWGFSA-N 0 3 241.335 0.130 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000037801601 188152521 /nfs/dbraw/zinc/15/25/21/188152521.db2.gz HFLSUZKZQFKMKK-JTQLQIEISA-N 0 3 243.351 0.343 20 0 BCADHN O=C(CC1CCCC1)NC[C@@H]1CNCCO1 ZINC000037865226 188152690 /nfs/dbraw/zinc/15/26/90/188152690.db2.gz TZVFDPLCZWILKV-NSHDSACASA-N 0 3 226.320 0.671 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCOCC1CC1 ZINC000225402417 188154974 /nfs/dbraw/zinc/15/49/74/188154974.db2.gz SLWCPBYDMYUJLA-JTQLQIEISA-N 0 3 214.309 0.513 20 0 BCADHN Cc1sc(C(N)=O)cc1NC(=O)C1(N)CC1 ZINC000638988564 353220668 /nfs/dbraw/zinc/22/06/68/353220668.db2.gz HBASRHIUCXDYDF-UHFFFAOYSA-N 0 3 239.300 0.585 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)CCn1cccn1 ZINC000168802816 188161880 /nfs/dbraw/zinc/16/18/80/188161880.db2.gz SXAYYTOVYSMLAM-JTQLQIEISA-N 0 3 224.308 0.325 20 0 BCADHN Cc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)c(=O)[nH]1 ZINC000166501947 188161918 /nfs/dbraw/zinc/16/19/18/188161918.db2.gz CTNYQOWJZXIHDM-ZJUUUORDSA-N 0 3 249.314 0.506 20 0 BCADHN CC(C)[C@H](O)CN[C@@H](C(N)=O)C(C)(C)C ZINC000336649054 188162493 /nfs/dbraw/zinc/16/24/93/188162493.db2.gz FOEAHJLTXGZLIB-BDAKNGLRSA-N 0 3 216.325 0.493 20 0 BCADHN CC[C@@H](C)[C@H](O)CNCc1cncn1C ZINC000112380973 188163986 /nfs/dbraw/zinc/16/39/86/188163986.db2.gz UQJYTFOJTNNKCS-MWLCHTKSSA-N 0 3 211.309 0.917 20 0 BCADHN CC1(C)CN(CCOCCO)CC[C@@H]1O ZINC000308855170 188165502 /nfs/dbraw/zinc/16/55/02/188165502.db2.gz IHGUUFOQJLNNOD-JTQLQIEISA-N 0 3 217.309 0.088 20 0 BCADHN CC(C)[C@@H](O)CN1CCN(CC(C)(C)O)CC1 ZINC000336712848 188166016 /nfs/dbraw/zinc/16/60/16/188166016.db2.gz QZNKXTYWPRLZMQ-LBPRGKRZSA-N 0 3 244.379 0.392 20 0 BCADHN CC(C)COCCN[C@@H]1C(=O)NCC[C@H]1C ZINC000309370037 188167676 /nfs/dbraw/zinc/16/76/76/188167676.db2.gz QHWLAECXCWJLAH-MNOVXSKESA-N 0 3 228.336 0.773 20 0 BCADHN Cc1ncc(C[NH2+]CC2(C)COC2)c(=O)[n-]1 ZINC000336738360 188168649 /nfs/dbraw/zinc/16/86/49/188168649.db2.gz ODEIYEQZTXMLAS-UHFFFAOYSA-N 0 3 223.276 0.617 20 0 BCADHN CC1(F)CCN(C(=O)CCOC2CNC2)CC1 ZINC000638993640 353226968 /nfs/dbraw/zinc/22/69/68/353226968.db2.gz AOYLNFGFFXKIKG-UHFFFAOYSA-N 0 3 244.310 0.716 20 0 BCADHN CC(C)N(C)C(=O)NC[C@](C)(O)CN(C)C ZINC000190865026 188173533 /nfs/dbraw/zinc/17/35/33/188173533.db2.gz WYLCKZJATWRWAO-NSHDSACASA-N 0 3 231.340 0.349 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H](C)C[C@H](C)O ZINC000304305480 188149308 /nfs/dbraw/zinc/14/93/08/188149308.db2.gz PJFBBCYOJKZDTD-QWRGUYRKSA-N 0 3 230.352 0.850 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)c1cnn(C)c1 ZINC000262671045 188193699 /nfs/dbraw/zinc/19/36/99/188193699.db2.gz NWWBOFZZVSUARY-JTQLQIEISA-N 0 3 224.308 0.756 20 0 BCADHN CC(=O)Nc1cccc(CN[C@H](C)CC(N)=O)c1 ZINC000267214601 188195566 /nfs/dbraw/zinc/19/55/66/188195566.db2.gz HZLTVVYQYNBZRS-SECBINFHSA-N 0 3 249.314 0.999 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cn[nH]c1 ZINC000265356191 188195827 /nfs/dbraw/zinc/19/58/27/188195827.db2.gz YQYNYLPECNEVGS-SNVBAGLBSA-N 0 3 236.319 0.824 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NCCOCCO ZINC000134545659 538112825 /nfs/dbraw/zinc/11/28/25/538112825.db2.gz BPMFFJMPBPIFGD-MRVPVSSYSA-N 0 3 213.281 0.378 20 0 BCADHN C=Cn1cc(CN2CCC[C@H]2CO)cn1 ZINC000193795912 188174727 /nfs/dbraw/zinc/17/47/27/188174727.db2.gz BEBKECVPNNHPJS-NSHDSACASA-N 0 3 207.277 0.940 20 0 BCADHN CCO[C@H]1C[C@@H]1C(=O)NCC1=CCN(C)CC1 ZINC000343255796 353251800 /nfs/dbraw/zinc/25/18/00/353251800.db2.gz CTGSHFWJSFDDAU-RYUDHWBXSA-N 0 3 238.331 0.790 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000334634611 188178803 /nfs/dbraw/zinc/17/88/03/188178803.db2.gz VHKCNVPXOZBDHT-NWDGAFQWSA-N 0 3 239.363 0.489 20 0 BCADHN CN1CC=C(CNC(=O)C[C@@H]2CCOC2)CC1 ZINC000343257737 353254099 /nfs/dbraw/zinc/25/40/99/353254099.db2.gz SMEVKQRRPJSQSJ-LBPRGKRZSA-N 0 3 238.331 0.791 20 0 BCADHN CC(C)N(Cc1cccnc1)C[C@@H](O)CO ZINC000336672511 188181635 /nfs/dbraw/zinc/18/16/35/188181635.db2.gz KKNZSDIQKMTHRB-GFCCVEGCSA-N 0 3 224.304 0.645 20 0 BCADHN C([C@@H]1COCCO1)N1CCN(C2CCC2)CC1 ZINC000336682217 188182242 /nfs/dbraw/zinc/18/22/42/188182242.db2.gz DAFYUHNACMGWOO-CYBMUJFWSA-N 0 3 240.347 0.572 20 0 BCADHN CCN1CCC[C@@H](NC(=O)NC[C@H](C)CO)C1 ZINC000333987808 353255564 /nfs/dbraw/zinc/25/55/64/353255564.db2.gz QJVKKTWWESTECZ-WDEREUQCSA-N 0 3 243.351 0.398 20 0 BCADHN CC(C)N1CCN(CCn2cncn2)CC1 ZINC000336677454 188183048 /nfs/dbraw/zinc/18/30/48/188183048.db2.gz NZFUTLJBWHOTEW-UHFFFAOYSA-N 0 3 223.324 0.304 20 0 BCADHN CCN(CC)CC(=O)N(C)Cc1ccnn1C ZINC000337559678 188186920 /nfs/dbraw/zinc/18/69/20/188186920.db2.gz LZPUDSYTMRTUTH-UHFFFAOYSA-N 0 3 238.335 0.720 20 0 BCADHN CC(C)COC[C@@H](O)CN1CCOC[C@@H](C)C1 ZINC000338250665 188188845 /nfs/dbraw/zinc/18/88/45/188188845.db2.gz HIGCBDXDCITQJK-STQMWFEESA-N 0 3 245.363 0.988 20 0 BCADHN CC(=O)C1(C(=O)NC[C@H](C)N(C)C)CC1 ZINC000338853504 188189919 /nfs/dbraw/zinc/18/99/19/188189919.db2.gz XNAUWPKOJYNLSE-QMMMGPOBSA-N 0 3 212.293 0.422 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1C[C@H](O)C1(C)C)N(C)C ZINC000331974675 188191360 /nfs/dbraw/zinc/19/13/60/188191360.db2.gz BXZHOAUJAKGVHX-GARJFASQSA-N 0 3 242.363 0.848 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)NCC1(N(C)C)CCC1 ZINC000332044498 188192081 /nfs/dbraw/zinc/19/20/81/188192081.db2.gz MDRQXHFPYCRCGK-GFCCVEGCSA-N 0 3 242.363 0.994 20 0 BCADHN COC[C@H](CCO)N[C@H](C)c1c[nH]nc1C ZINC000134569139 538113402 /nfs/dbraw/zinc/11/34/02/538113402.db2.gz HAMBWKILDUFFAK-SCZZXKLOSA-N 0 3 227.308 0.766 20 0 BCADHN CC[C@@H](CSC)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188996404 353273156 /nfs/dbraw/zinc/27/31/56/353273156.db2.gz ZCCQUPHQFRWOJL-XHNCKOQMSA-N 0 3 234.340 0.944 20 0 BCADHN CC(C)N(CC(=O)N1CCC1)C[C@@H](C)O ZINC000340776094 188217051 /nfs/dbraw/zinc/21/70/51/188217051.db2.gz WRLFFUVOUNEDMC-SNVBAGLBSA-N 0 3 214.309 0.310 20 0 BCADHN CC(C)N(C)CC(=O)N(C)[C@@H]1CCCOC1 ZINC000341134034 188217565 /nfs/dbraw/zinc/21/75/65/188217565.db2.gz HXLXKMHBXIHMPB-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)N(C)CC(=O)N(C)[C@H]1CCC[C@H]1O ZINC000341790100 188217898 /nfs/dbraw/zinc/21/78/98/188217898.db2.gz NUCRWXHDPIBKRF-WDEREUQCSA-N 0 3 228.336 0.698 20 0 BCADHN Cc1nn(C(C)C)cc1CNCCOCCO ZINC000281394933 188206440 /nfs/dbraw/zinc/20/64/40/188206440.db2.gz PIBIZIUKPHHBHR-UHFFFAOYSA-N 0 3 241.335 0.871 20 0 BCADHN CC(C)N(CC(N)=O)C[C@@H](O)C(C)(C)C ZINC000340281228 188209522 /nfs/dbraw/zinc/20/95/22/188209522.db2.gz NZICTTZCIIUWTD-SECBINFHSA-N 0 3 216.325 0.589 20 0 BCADHN CN(CC(F)(F)F)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188856016 353269259 /nfs/dbraw/zinc/26/92/59/353269259.db2.gz MGUOLCWEWWQWPE-NTSWFWBYSA-N 0 3 228.189 0.707 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCN2C(=O)NC[C@@H]2C1 ZINC000336322178 188229416 /nfs/dbraw/zinc/22/94/16/188229416.db2.gz GFPVNQDXMCKRSU-NXEZZACHSA-N 0 3 241.335 0.103 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(C)C[C@H]1CCCO1 ZINC000251747210 353287747 /nfs/dbraw/zinc/28/77/47/353287747.db2.gz GREWMQCSEMONAI-HBNTYKKESA-N 0 3 228.336 0.997 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@@H]1CCCO1 ZINC000073614056 353294941 /nfs/dbraw/zinc/29/49/41/353294941.db2.gz FJVHIRUHLMCPIS-JTQLQIEISA-N 0 3 214.309 0.609 20 0 BCADHN NC1(C(=O)N2CCn3nccc32)CC2(CCC2)C1 ZINC000639034950 353308545 /nfs/dbraw/zinc/30/85/45/353308545.db2.gz OPYBIIDCNGCKNS-UHFFFAOYSA-N 0 3 246.314 0.891 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@@H]1C[C@H](C)O ZINC000252697064 353303371 /nfs/dbraw/zinc/30/33/71/353303371.db2.gz FFRXCJKKMUPAMC-HOSYDEDBSA-N 0 3 240.347 0.889 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCn2nccc21 ZINC000639032893 353304496 /nfs/dbraw/zinc/30/44/96/353304496.db2.gz ABWNGNNNPNJCHJ-VIFPVBQESA-N 0 3 208.265 0.213 20 0 BCADHN NCC(=O)NCc1noc2c1CCCC2 ZINC000639033464 353304877 /nfs/dbraw/zinc/30/48/77/353304877.db2.gz LBCNBNDQUKLJDO-UHFFFAOYSA-N 0 3 209.249 0.128 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)N2CCn3nccc32)C1 ZINC000639035566 353305181 /nfs/dbraw/zinc/30/51/81/353305181.db2.gz ZFGIUTRYOYHTBG-UWVGGRQHSA-N 0 3 234.303 0.618 20 0 BCADHN CCN[C@H](C)C(=O)NCCOC(F)(F)F ZINC000639034031 353305534 /nfs/dbraw/zinc/30/55/34/353305534.db2.gz XREMTNPBDCDCOJ-ZCFIWIBFSA-N 0 3 228.214 0.637 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCn2nccc21 ZINC000639034445 353307333 /nfs/dbraw/zinc/30/73/33/353307333.db2.gz FZBKUQCBINVDOM-QMMMGPOBSA-N 0 3 208.265 0.228 20 0 BCADHN CC[C@H](C)[C@H](CNC1(C(N)=O)CC1)OC ZINC000639043415 353326640 /nfs/dbraw/zinc/32/66/40/353326640.db2.gz VVQRYCYBMIQJEM-IUCAKERBSA-N 0 3 214.309 0.655 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)NCCCF)C[C@@H]21 ZINC000334500172 353327055 /nfs/dbraw/zinc/32/70/55/353327055.db2.gz XWLHGXCKBLZXPT-ZJUUUORDSA-N 0 3 229.299 0.692 20 0 BCADHN CCC[C@H](N)C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000037815266 358478331 /nfs/dbraw/zinc/47/83/31/358478331.db2.gz JGGSISYVYLQSGJ-MNOVXSKESA-N 0 3 241.335 0.241 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)Cc1cnn(C)c1 ZINC000037800779 358478343 /nfs/dbraw/zinc/47/83/43/358478343.db2.gz LHTSWCJQRJJSJP-LLVKDONJSA-N 0 3 238.335 0.896 20 0 BCADHN C[C@H](CCC1CC1)NCc1cnc(N)nc1N ZINC000639054731 353360903 /nfs/dbraw/zinc/36/09/03/353360903.db2.gz RFPFFGVEIPCPTK-MRVPVSSYSA-N 0 3 235.335 0.970 20 0 BCADHN C[C@@H]1CCCCN(Cc2cnc(N)nc2N)C1 ZINC000639059214 353363824 /nfs/dbraw/zinc/36/38/24/353363824.db2.gz BZNMIZLYRTXAJE-SECBINFHSA-N 0 3 235.335 0.924 20 0 BCADHN CC[C@@H](C)[C@](C)(O)CNCc1cnnn1C ZINC000165498810 353364356 /nfs/dbraw/zinc/36/43/56/353364356.db2.gz YXMAMALJETUWIZ-MWLCHTKSSA-N 0 3 226.324 0.702 20 0 BCADHN Cc1cnc(CNC[C@]2(O)CCN(C)C2)o1 ZINC000639049499 353344342 /nfs/dbraw/zinc/34/43/42/353344342.db2.gz STQSLRMLIMUFEC-LLVKDONJSA-N 0 3 225.292 0.139 20 0 BCADHN Cc1cc(CNC[C@@]2(O)CCN(C)C2)sn1 ZINC000639049419 353344435 /nfs/dbraw/zinc/34/44/35/353344435.db2.gz QUNDFPQWRCXLBZ-NSHDSACASA-N 0 3 241.360 0.608 20 0 BCADHN CCC[C@H](N)C(=O)N1CCCC[C@H]1C(=O)NC ZINC000037810827 358478219 /nfs/dbraw/zinc/47/82/19/358478219.db2.gz HINLMOSUCXBJJM-UWVGGRQHSA-N 0 3 241.335 0.241 20 0 BCADHN CCC[C@H](N)C(=O)N1CCCC[C@@H]1C(=O)OC ZINC000037804400 358478253 /nfs/dbraw/zinc/47/82/53/358478253.db2.gz OWNQXXQIMXWLKF-VHSXEESVSA-N 0 3 242.319 0.668 20 0 BCADHN COC[C@H](CCO)NCc1ccc(O)cc1 ZINC000226756873 491050035 /nfs/dbraw/zinc/05/00/35/491050035.db2.gz JDMSOVFGBBRXHF-NSHDSACASA-N 0 3 225.288 0.879 20 0 BCADHN C[C@](O)(CO)CNCc1cccs1 ZINC000085250282 538116316 /nfs/dbraw/zinc/11/63/16/538116316.db2.gz YYBPIQBEZNBLMS-SECBINFHSA-N 0 3 201.291 0.581 20 0 BCADHN Cc1cc(CNC[C@@](C)(O)CO)ccc1F ZINC000085251944 538116393 /nfs/dbraw/zinc/11/63/93/538116393.db2.gz FASGBPHDWNGXBJ-GFCCVEGCSA-N 0 3 227.279 0.967 20 0 BCADHN COc1cccc(CNC[C@@](C)(O)CO)c1 ZINC000085250360 538116398 /nfs/dbraw/zinc/11/63/98/538116398.db2.gz ILTCUKVTZMEXHZ-GFCCVEGCSA-N 0 3 225.288 0.528 20 0 BCADHN CN(Cc1ccc(=O)[nH]c1)C1CC(O)C1 ZINC000639062895 353376824 /nfs/dbraw/zinc/37/68/24/353376824.db2.gz VGRZGBYIAIXCJM-UHFFFAOYSA-N 0 3 208.261 0.742 20 0 BCADHN Cn1nncc1CNC[C@H](O)CC(C)(C)C ZINC000165500665 353377424 /nfs/dbraw/zinc/37/74/24/353377424.db2.gz QBAYKNFAANNKJH-SNVBAGLBSA-N 0 3 226.324 0.702 20 0 BCADHN CCCCN(CC(N)=O)C(=O)[C@@H](N)C(C)C ZINC000037812808 358478396 /nfs/dbraw/zinc/47/83/96/358478396.db2.gz KTDMZGHRIUIPKQ-JTQLQIEISA-N 0 3 229.324 0.084 20 0 BCADHN COC[C@@H](C)[C@@H](C)C(=O)NC[C@H](C)N(C)C ZINC000412393739 191278852 /nfs/dbraw/zinc/27/88/52/191278852.db2.gz JQJCQJJWIZFBCZ-OUAUKWLOSA-N 0 3 230.352 0.971 20 0 BCADHN CC(C)N(CCC(C)(C)O)CC(N)=O ZINC000081646319 353411851 /nfs/dbraw/zinc/41/18/51/353411851.db2.gz WLCLYSOSWJZEMR-UHFFFAOYSA-N 0 3 202.298 0.343 20 0 BCADHN COC[C@@](C)(CO)NCc1[nH]ncc1C ZINC000308970469 491050983 /nfs/dbraw/zinc/05/09/83/491050983.db2.gz YZMDCMFYFRNBEL-SNVBAGLBSA-N 0 3 213.281 0.205 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N(C)CC(C)(C)O ZINC000081747571 353413282 /nfs/dbraw/zinc/41/32/82/353413282.db2.gz LXFVPXGAFMVCCH-JTQLQIEISA-N 0 3 230.352 0.850 20 0 BCADHN CCOC[C@H](C)N[C@@H]1CC(=O)N(CC)C1 ZINC000391531188 353413564 /nfs/dbraw/zinc/41/35/64/353413564.db2.gz YMAUFLNVQCYJBL-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CNS(=O)(=O)CCN[C@@H](C)[C@@H]1CC1(F)F ZINC000639088632 353442014 /nfs/dbraw/zinc/44/20/14/353442014.db2.gz YTYXIYBUICOADQ-BQBZGAKWSA-N 0 3 242.291 0.169 20 0 BCADHN CO[C@H]1CN(C(=O)C2(N)CCC2)CC[C@H]1C ZINC000230244274 353482241 /nfs/dbraw/zinc/48/22/41/353482241.db2.gz NBVPSSXYIWAAHD-ZJUUUORDSA-N 0 3 226.320 0.751 20 0 BCADHN CCCN(C)CC(=O)N1CCO[C@@H](CF)C1 ZINC000412435359 191282093 /nfs/dbraw/zinc/28/20/93/191282093.db2.gz MVOSWYBOYDJSFE-JTQLQIEISA-N 0 3 232.299 0.525 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1cc[nH]c(=O)c1 ZINC000230189052 353475071 /nfs/dbraw/zinc/47/50/71/353475071.db2.gz HACKZQPYQZRIRE-LLVKDONJSA-N 0 3 249.314 0.541 20 0 BCADHN C[C@@H]1C[C@H](O)CN1Cc1c[nH]c2ncncc12 ZINC000639094820 353479324 /nfs/dbraw/zinc/47/93/24/353479324.db2.gz IRNBYVOAEMSUQA-SCZZXKLOSA-N 0 3 232.287 0.865 20 0 BCADHN CN(CCCO)C1(C(N)=O)CCCC1 ZINC000093212119 353480033 /nfs/dbraw/zinc/48/00/33/353480033.db2.gz FPFFOEDENKMBCB-UHFFFAOYSA-N 0 3 200.282 0.099 20 0 BCADHN CCCN(CCC)C(=O)[C@@H](CN)OC ZINC000227342043 363233442 /nfs/dbraw/zinc/23/34/42/363233442.db2.gz AYRKXWHNMPDLIG-SECBINFHSA-N 0 3 202.298 0.609 20 0 BCADHN CCN(CC(N)=O)C[C@](C)(CC)OC ZINC000639099039 353503150 /nfs/dbraw/zinc/50/31/50/353503150.db2.gz RDBFMJZYQLRCTK-JTQLQIEISA-N 0 3 202.298 0.609 20 0 BCADHN CCC1(C(=O)NCCNCCOC)CC1 ZINC000261536192 535239375 /nfs/dbraw/zinc/23/93/75/535239375.db2.gz QSBHITMJQMCRPQ-UHFFFAOYSA-N 0 3 214.309 0.529 20 0 BCADHN Cc1cccc(F)c1S(=O)(=O)[N-]CCC[NH3+] ZINC000193230272 353577941 /nfs/dbraw/zinc/57/79/41/353577941.db2.gz MFKYNMLTEIFJLM-UHFFFAOYSA-N 0 3 246.307 0.761 20 0 BCADHN CC[C@H]1CN(C(=O)C2CCN(C)CC2)CCO1 ZINC000334514788 353596205 /nfs/dbraw/zinc/59/62/05/353596205.db2.gz SSTMKVPWMUYXMY-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](O)CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000192437714 353555683 /nfs/dbraw/zinc/55/56/83/353555683.db2.gz FIEWKEHLXDHZMW-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H](CNC(=O)NC[C@H](C)O)N(C)C1CC1 ZINC000192443892 353556395 /nfs/dbraw/zinc/55/63/95/353556395.db2.gz VFUVLSVNZIKDPE-BDAKNGLRSA-N 0 3 229.324 0.149 20 0 BCADHN CO[C@@H](CN)C(=O)NCCC(F)(F)F ZINC000227383271 363235040 /nfs/dbraw/zinc/23/50/40/363235040.db2.gz VLFRPZSOXAFQHY-YFKPBYRVSA-N 0 3 214.187 0.029 20 0 BCADHN CO[C@H](CN)C(=O)N(C)CC(C)(C)C ZINC000227379390 363235104 /nfs/dbraw/zinc/23/51/04/363235104.db2.gz BQMCCJTXROJPLD-MRVPVSSYSA-N 0 3 202.298 0.465 20 0 BCADHN CNCC(=O)Nc1ccc(N2CCCC2=O)cn1 ZINC000193135536 353570956 /nfs/dbraw/zinc/57/09/56/353570956.db2.gz KWAXCYCCZUXJIC-UHFFFAOYSA-N 0 3 248.286 0.366 20 0 BCADHN CC(C)C(=O)NCCN(C)C[C@H](C)O ZINC000193002240 353572333 /nfs/dbraw/zinc/57/23/33/353572333.db2.gz GGPWDVSOXNCFAV-VIFPVBQESA-N 0 3 202.298 0.071 20 0 BCADHN COC[C@@H](O)CC[NH2+]Cc1nc(C)ccc1[O-] ZINC000231608350 353624432 /nfs/dbraw/zinc/62/44/32/353624432.db2.gz XSGBJCKWPKNABA-JTQLQIEISA-N 0 3 240.303 0.583 20 0 BCADHN CN(C)C1(CNc2ncnc3c2ncn3C)CC1 ZINC000642309986 363238975 /nfs/dbraw/zinc/23/89/75/363238975.db2.gz DFVMCEKFABUDHW-UHFFFAOYSA-N 0 3 246.318 0.869 20 0 BCADHN COc1cc(F)cc(CNCCC(N)=O)c1 ZINC000312248610 324175580 /nfs/dbraw/zinc/17/55/80/324175580.db2.gz ATTYJJSOVXGJAF-UHFFFAOYSA-N 0 3 226.251 0.799 20 0 BCADHN CCC1(CC)CCN([C@H]2CC(=O)NC2=O)C1 ZINC000577861839 366089789 /nfs/dbraw/zinc/08/97/89/366089789.db2.gz NKHQNHBVASHNMK-VIFPVBQESA-N 0 3 224.304 0.914 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1ccnc(CN)c1 ZINC000231720213 353646992 /nfs/dbraw/zinc/64/69/92/353646992.db2.gz ZCFPKCVYKDOSDH-GFCCVEGCSA-N 0 3 248.330 0.364 20 0 BCADHN CO[C@@H](CN[C@H](C)C(N)=O)Cc1ccccc1 ZINC000639108857 353651984 /nfs/dbraw/zinc/65/19/84/353651984.db2.gz MQRYCCPZDVZFKR-ZYHUDNBSSA-N 0 3 236.315 0.708 20 0 BCADHN C[C@H]1CCCN(CCNC(=O)c2cn[nH]c2)C1 ZINC000194052854 353616267 /nfs/dbraw/zinc/61/62/67/353616267.db2.gz YLMVFOIJSVXBPU-JTQLQIEISA-N 0 3 236.319 0.871 20 0 BCADHN CCCNC(=O)NC(=O)CN(CC)C(C)C ZINC000194084348 353618371 /nfs/dbraw/zinc/61/83/71/353618371.db2.gz VEDPJBQYQDJAKF-UHFFFAOYSA-N 0 3 229.324 0.953 20 0 BCADHN CO[C@H]1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343318146 353665482 /nfs/dbraw/zinc/66/54/82/353665482.db2.gz WYELKPQIMJGORF-RWMBFGLXSA-N 0 3 240.347 0.570 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCO[C@H](CF)C1)N(C)C ZINC000412432575 191284482 /nfs/dbraw/zinc/28/44/82/191284482.db2.gz DOYFPRGIOFRVRR-MNOVXSKESA-N 0 3 246.326 0.770 20 0 BCADHN O=C(NCc1ccccc1)NC[C@@H]1CNCCO1 ZINC000232303951 353707434 /nfs/dbraw/zinc/70/74/34/353707434.db2.gz WLLSJXLQHOMTHD-LBPRGKRZSA-N 0 3 249.314 0.474 20 0 BCADHN O=C1C[C@@]2(CCN(Cc3ccc(=O)[nH]c3)C2)CN1 ZINC000639113977 353719937 /nfs/dbraw/zinc/71/99/37/353719937.db2.gz AZMYOGDTLKZMTH-ZDUSSCGKSA-N 0 3 247.298 0.499 20 0 BCADHN CNC(=O)CCN(C)Cc1c(C)nn(C)c1C ZINC000195518419 353765749 /nfs/dbraw/zinc/76/57/49/353765749.db2.gz WJWCZZPMCGCSMS-UHFFFAOYSA-N 0 3 238.335 0.605 20 0 BCADHN C[C@H](N[C@H]1CCN(C)[C@@H](C)C1)c1ncn(C)n1 ZINC000391858781 353784630 /nfs/dbraw/zinc/78/46/30/353784630.db2.gz VBCOKVSUQIPRTE-DCAQKATOSA-N 0 3 237.351 0.948 20 0 BCADHN COC[C@H](O)CN1CC[C@@H](c2nccn2C)C1 ZINC000577931493 366107746 /nfs/dbraw/zinc/10/77/46/366107746.db2.gz XARZVQYGOYIQCZ-GHMZBOCLSA-N 0 3 239.319 0.217 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)N(C1CC1)C1CC1 ZINC000627102552 363261118 /nfs/dbraw/zinc/26/11/18/363261118.db2.gz OIWABQDTFVUZNI-NSHDSACASA-N 0 3 239.319 0.311 20 0 BCADHN CCC[C@H](CN[C@H](C)C(=O)NCCF)OC ZINC000639155380 353864692 /nfs/dbraw/zinc/86/46/92/353864692.db2.gz PACMZNGJCJIEOQ-NXEZZACHSA-N 0 3 234.315 0.865 20 0 BCADHN CCC[C@@H](CN[C@H](C)C(=O)NCCF)OC ZINC000639155385 353864706 /nfs/dbraw/zinc/86/47/06/353864706.db2.gz PACMZNGJCJIEOQ-ZJUUUORDSA-N 0 3 234.315 0.865 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NC[C@H]1CC1(C)C ZINC000343424986 353882359 /nfs/dbraw/zinc/88/23/59/353882359.db2.gz YJVFKRUYARQDAG-BDAKNGLRSA-N 0 3 242.319 0.429 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCCO2)CCCN1C ZINC000343429180 353883241 /nfs/dbraw/zinc/88/32/41/353883241.db2.gz HTOFORYLIQCLMB-OUAUKWLOSA-N 0 3 226.320 0.764 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NC1CC(C)C1 ZINC000343433950 353885242 /nfs/dbraw/zinc/88/52/42/353885242.db2.gz WJLZYNPLDAUDEN-HACHORDNSA-N 0 3 228.292 0.182 20 0 BCADHN CCN(C(=O)[C@@H](N)CCC(=O)OC)C(C)C ZINC000343438261 353887150 /nfs/dbraw/zinc/88/71/50/353887150.db2.gz YMKLNPYZJOHYSG-VIFPVBQESA-N 0 3 230.308 0.524 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2ccnn2C)CCCN1C ZINC000343445437 353890330 /nfs/dbraw/zinc/89/03/30/353890330.db2.gz NPVCAOIOVODQQC-NXEZZACHSA-N 0 3 236.319 0.633 20 0 BCADHN COC(=O)CCC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343448601 353892392 /nfs/dbraw/zinc/89/23/92/353892392.db2.gz BYZDOUXGBBAGOD-VHSXEESVSA-N 0 3 242.319 0.539 20 0 BCADHN CC[C@](C)(CN[C@@H]1C(=O)NCC[C@H]1C)OC ZINC000639137363 353844363 /nfs/dbraw/zinc/84/43/63/353844363.db2.gz XLASEZLOOPZBQG-JFGNBEQYSA-N 0 3 228.336 0.916 20 0 BCADHN CCC[C@H](CN[C@@H]1C(=O)NCC[C@H]1C)OC ZINC000639137273 353845803 /nfs/dbraw/zinc/84/58/03/353845803.db2.gz VYSVBQXAQYQXKL-MXWKQRLJSA-N 0 3 228.336 0.916 20 0 BCADHN CO[C@](C)(CN[C@@H](C)C(=O)NCCF)C1CC1 ZINC000639138017 353854500 /nfs/dbraw/zinc/85/45/00/353854500.db2.gz NHTJSFMUQWRVHG-JOYOIKCWSA-N 0 3 246.326 0.865 20 0 BCADHN CC(=O)N(C)CC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343489297 353908412 /nfs/dbraw/zinc/90/84/12/353908412.db2.gz IYPOWXRXXGDSGH-ONGXEEELSA-N 0 3 241.335 0.064 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1C[C@@H](C)C[C@H]1C ZINC000343542532 353917999 /nfs/dbraw/zinc/91/79/99/353917999.db2.gz YGHFZDIUKBHVAE-AEJSXWLSSA-N 0 3 242.319 0.524 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000343542535 353918018 /nfs/dbraw/zinc/91/80/18/353918018.db2.gz YGHFZDIUKBHVAE-UTLUCORTSA-N 0 3 242.319 0.524 20 0 BCADHN Cc1ncncc1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343545017 353918615 /nfs/dbraw/zinc/91/86/15/353918615.db2.gz NSHYCGBJZBDBHF-PWSUYJOCSA-N 0 3 248.330 0.998 20 0 BCADHN CCC(CC)NC(=O)[C@H](N)CCC(=O)OC ZINC000343505110 353921242 /nfs/dbraw/zinc/92/12/42/353921242.db2.gz NFROIPLIAGAEDB-SECBINFHSA-N 0 3 230.308 0.572 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N(C)CCC(N)=O ZINC000343507017 353922282 /nfs/dbraw/zinc/92/22/82/353922282.db2.gz RCMXJTKTCVQQKS-JTQLQIEISA-N 0 3 241.335 0.195 20 0 BCADHN CCNC(=O)NC(=O)CN1CC[C@@H]2CCC[C@H]21 ZINC000334536621 353923357 /nfs/dbraw/zinc/92/33/57/353923357.db2.gz PDBLPVLYDIHTFV-VHSXEESVSA-N 0 3 239.319 0.707 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N(C)C1CCC1 ZINC000343522517 353927076 /nfs/dbraw/zinc/92/70/76/353927076.db2.gz SWJYPYYAEQXUMC-SECBINFHSA-N 0 3 228.292 0.278 20 0 BCADHN CN(C)CC1(NC(=O)c2cccnn2)CCC1 ZINC000529255468 324267152 /nfs/dbraw/zinc/26/71/52/324267152.db2.gz JYMJFLJQBAYRLT-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN C[C@@H]1[C@@H](Nc2cncc(C(N)=O)n2)CCCN1C ZINC000343602849 353931511 /nfs/dbraw/zinc/93/15/11/353931511.db2.gz MFJNNDIFUCJKSB-BDAKNGLRSA-N 0 3 249.318 0.470 20 0 BCADHN O=C1CC[C@@H]2CN(CCCn3ccnc3)CCN12 ZINC000343584281 353939940 /nfs/dbraw/zinc/93/99/40/353939940.db2.gz NQHCYHGAEFSFRQ-GFCCVEGCSA-N 0 3 248.330 0.580 20 0 BCADHN CC(C)C(=O)NCC1(O)CCN(C)CC1 ZINC000343627969 353947459 /nfs/dbraw/zinc/94/74/59/353947459.db2.gz HAKHLGSMDYHLKQ-UHFFFAOYSA-N 0 3 214.309 0.215 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCCC2(CC2)C1 ZINC000343691608 353965017 /nfs/dbraw/zinc/96/50/17/353965017.db2.gz NUSQKGAPMCKTEV-LLVKDONJSA-N 0 3 227.304 0.786 20 0 BCADHN CN(CCCN1CCCC1)C(=O)C1CC(=O)C1 ZINC000343746439 353971057 /nfs/dbraw/zinc/97/10/57/353971057.db2.gz GGSOVCZVPPOMEW-UHFFFAOYSA-N 0 3 238.331 0.910 20 0 BCADHN CNC(=O)NC(=O)CN1CC2(CCC2)C[C@@H]1C ZINC000334551490 353991593 /nfs/dbraw/zinc/99/15/93/353991593.db2.gz GKFPDXUNWBIOOW-VIFPVBQESA-N 0 3 239.319 0.707 20 0 BCADHN O[C@@H]1CN(CCn2cccn2)CC12CC2 ZINC000334552721 353994459 /nfs/dbraw/zinc/99/44/59/353994459.db2.gz BZWQNWKRTOOQFU-SNVBAGLBSA-N 0 3 207.277 0.340 20 0 BCADHN Cn1nccc1CN1CC[C@@](O)(C2CC2)C1 ZINC000334553094 353994954 /nfs/dbraw/zinc/99/49/54/353994954.db2.gz PKQJWQHATBYNKS-LBPRGKRZSA-N 0 3 221.304 0.767 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCN2CCOC[C@H]2C1 ZINC000343674415 353960937 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CSCC[C@@H](N)C(=O)NCC1(C)CC1 ZINC000235046845 363435653 /nfs/dbraw/zinc/43/56/53/363435653.db2.gz YHOZPTGXPJYECB-MRVPVSSYSA-N 0 3 216.350 0.983 20 0 BCADHN C[C@@]1(O)CCN(CCOCC(F)F)C1 ZINC000346423163 354925149 /nfs/dbraw/zinc/92/51/49/354925149.db2.gz CMBQFHNMWQFASK-SECBINFHSA-N 0 3 209.236 0.725 20 0 BCADHN CO[C@@](C)(CN1CCOC[C@H](O)C1)C1CC1 ZINC000639223019 354925232 /nfs/dbraw/zinc/92/52/32/354925232.db2.gz NUNRBXGOSYCDQM-NEPJUHHUSA-N 0 3 229.320 0.495 20 0 BCADHN CS[C@H](C)CNC(=O)N1CCCNCC1 ZINC000335171894 354936080 /nfs/dbraw/zinc/93/60/80/354936080.db2.gz WMNDBLCEWMOYIZ-SECBINFHSA-N 0 3 231.365 0.743 20 0 BCADHN CCC[C@H](CN1CCOC[C@H](O)C1)OC ZINC000639222830 354950213 /nfs/dbraw/zinc/95/02/13/354950213.db2.gz MKQUTNRNHOJBQZ-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN CC[C@H](C(=O)NCCC(N)=O)N(CC)CC ZINC000346513430 354963487 /nfs/dbraw/zinc/96/34/87/354963487.db2.gz WXSVACYSSYYZPY-SECBINFHSA-N 0 3 229.324 0.098 20 0 BCADHN C[C@@H]1CCN(CCOCC(F)F)C[C@@H]1O ZINC000346556523 354967479 /nfs/dbraw/zinc/96/74/79/354967479.db2.gz XYSDXWPYKGCYAJ-BDAKNGLRSA-N 0 3 223.263 0.971 20 0 BCADHN CCN(C)CCNC(=O)C[C@@H]1CCOC1 ZINC000351980267 134025407 /nfs/dbraw/zinc/02/54/07/134025407.db2.gz BJMYBWOZVVJYOA-JTQLQIEISA-N 0 3 214.309 0.481 20 0 BCADHN Cc1nnsc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000379441586 358493094 /nfs/dbraw/zinc/49/30/94/358493094.db2.gz SFHLXEQFZSUSLT-POYBYMJQSA-N 0 3 240.332 0.669 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H]([C@@H](C)O)C1 ZINC000166061515 354973103 /nfs/dbraw/zinc/97/31/03/354973103.db2.gz ZHGKEJKEMFFBMK-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN COC(C)(C)CCN1CCN(C[C@H](C)O)CC1 ZINC000346523827 354975916 /nfs/dbraw/zinc/97/59/16/354975916.db2.gz FTZOLYWKKHIVPS-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN C[C@@H]1CN(C(=O)CN(C)C)[C@H](C)CN1C ZINC000335206418 355042170 /nfs/dbraw/zinc/04/21/70/355042170.db2.gz BJIPLUKUQMPXFK-NXEZZACHSA-N 0 3 213.325 0.099 20 0 BCADHN CC[C@H](F)CN1C[C@H](C(N)=O)[C@H](C)C1 ZINC000346656954 355004907 /nfs/dbraw/zinc/00/49/07/355004907.db2.gz KZZWBJRVDFJPNJ-VGMNWLOBSA-N 0 3 202.273 0.788 20 0 BCADHN COC(=O)CCCN1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000346674532 355008433 /nfs/dbraw/zinc/00/84/33/355008433.db2.gz WZRJZCFRLJGEFH-VHSXEESVSA-N 0 3 243.303 0.823 20 0 BCADHN COC(=O)[C@@H]1CCN([C@@H]2CCCNC2=O)[C@H]1C ZINC000346679772 355010991 /nfs/dbraw/zinc/01/09/91/355010991.db2.gz ATDLKWLBPNAEBQ-IVZWLZJFSA-N 0 3 240.303 0.148 20 0 BCADHN CCCN(C)CC(=O)NCC1(O)CCC1 ZINC000346681308 355010996 /nfs/dbraw/zinc/01/09/96/355010996.db2.gz DDKXYEMDHMOEDQ-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN CC1(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)COC1 ZINC000346685625 355011375 /nfs/dbraw/zinc/01/13/75/355011375.db2.gz IOPQRHCHNDMWAP-AXFHLTTASA-N 0 3 238.331 0.609 20 0 BCADHN CCNC(=O)NC(=O)CN1CC(C)(C)C[C@H]1C ZINC000335189159 355020457 /nfs/dbraw/zinc/02/04/57/355020457.db2.gz KZOAWHOPSHUYFD-SECBINFHSA-N 0 3 241.335 0.953 20 0 BCADHN C[C@H]1CC(C)(C)CN1CC(=O)NC(N)=O ZINC000335189154 355020754 /nfs/dbraw/zinc/02/07/54/355020754.db2.gz KRGGVPZOYFOVRV-ZETCQYMHSA-N 0 3 213.281 0.302 20 0 BCADHN CCOCCCN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000346690983 355074853 /nfs/dbraw/zinc/07/48/53/355074853.db2.gz VGWHDRNHBGOSRI-TUAOUCFPSA-N 0 3 240.347 0.999 20 0 BCADHN CN(C)C(=O)CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000335220233 355060464 /nfs/dbraw/zinc/06/04/64/355060464.db2.gz NJPKVLJVOLBXNO-GHMZBOCLSA-N 0 3 226.320 0.433 20 0 BCADHN CN(C)C(=O)CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000335220236 355060626 /nfs/dbraw/zinc/06/06/26/355060626.db2.gz NJPKVLJVOLBXNO-WDEREUQCSA-N 0 3 226.320 0.433 20 0 BCADHN CNC(=O)C[C@@H](C)[NH2+]Cc1cnc(C)[n-]c1=O ZINC000346798082 355107293 /nfs/dbraw/zinc/10/72/93/355107293.db2.gz PLGYGIKKMYDMTJ-SSDOTTSWSA-N 0 3 238.291 0.105 20 0 BCADHN CNC(=O)C[C@H](C)[NH2+]Cc1cnc(C)[n-]c1=O ZINC000346798874 355107743 /nfs/dbraw/zinc/10/77/43/355107743.db2.gz PLGYGIKKMYDMTJ-ZETCQYMHSA-N 0 3 238.291 0.105 20 0 BCADHN COCCN(CCO)CCOC1CCC1 ZINC000346823341 355126235 /nfs/dbraw/zinc/12/62/35/355126235.db2.gz BJPYHBFEHVURRP-UHFFFAOYSA-N 0 3 217.309 0.496 20 0 BCADHN COC(=O)[C@H](C)NC(=O)CC1CCN(C)CC1 ZINC000346812591 355121942 /nfs/dbraw/zinc/12/19/42/355121942.db2.gz OAAYUZKOWFTELU-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2ccncn2)C1 ZINC000412872698 191323015 /nfs/dbraw/zinc/32/30/15/191323015.db2.gz HLMBXFZEZBHBLK-SECBINFHSA-N 0 3 220.276 0.301 20 0 BCADHN CNC(=O)N[C@@H]1CCN(CCCCF)C1 ZINC000351994397 134033154 /nfs/dbraw/zinc/03/31/54/134033154.db2.gz MRPKMSLGOMELLY-SECBINFHSA-N 0 3 217.288 0.739 20 0 BCADHN O=C1NCC[C@H]1N1CC[C@@H](C2CCOCC2)C1 ZINC000335231594 355092389 /nfs/dbraw/zinc/09/23/89/355092389.db2.gz SXENNAIGYYSCQL-VXGBXAGGSA-N 0 3 238.331 0.623 20 0 BCADHN CCN1CC[C@@H](NC(=O)N2CCC[C@H](O)C2)C1 ZINC000335234611 355095428 /nfs/dbraw/zinc/09/54/28/355095428.db2.gz CGMSOXBLUPUOJQ-MNOVXSKESA-N 0 3 241.335 0.247 20 0 BCADHN CCOC(=O)CC(C)(C)CCN(C)CC(N)=O ZINC000346828242 355127897 /nfs/dbraw/zinc/12/78/97/355127897.db2.gz PDQAUTRSLLOABN-UHFFFAOYSA-N 0 3 244.335 0.773 20 0 BCADHN Cc1[nH]cnc1CC(=O)NC[C@@H](C)CO ZINC000346838324 355132544 /nfs/dbraw/zinc/13/25/44/355132544.db2.gz WYBWGVUABDBENP-SSDOTTSWSA-N 0 3 211.265 0.005 20 0 BCADHN CCCN(CC(=O)NC)C[C@H]1CCCOC1 ZINC000342635358 535279642 /nfs/dbraw/zinc/27/96/42/535279642.db2.gz LAIFFFOFCLGGBK-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CN1CCC(CC(=O)N2CC[C@@H](O)C2)CC1 ZINC000346900864 355148261 /nfs/dbraw/zinc/14/82/61/355148261.db2.gz TVHHEBCCVFPDRN-LLVKDONJSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@@H]1CCN([C@H]2CC(=O)N(C)C2=O)C[C@@H]1C ZINC000346905913 355149972 /nfs/dbraw/zinc/14/99/72/355149972.db2.gz AKBNVVXSDAHKLT-UTLUCORTSA-N 0 3 224.304 0.722 20 0 BCADHN C[C@H](O)[C@H]1CCN(CC(=O)N2CCCC2)C1 ZINC000166077623 355157410 /nfs/dbraw/zinc/15/74/10/355157410.db2.gz NCJQRPWJOWZDOL-QWRGUYRKSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@H]1C[C@@H](O)CN1C(=O)NC1CCN(C)CC1 ZINC000335253705 355210808 /nfs/dbraw/zinc/21/08/08/355210808.db2.gz VRZCDHWRWBMDGJ-GXSJLCMTSA-N 0 3 241.335 0.245 20 0 BCADHN CO[C@](C)(CN1CCC[C@@H]1C(N)=O)C1CC1 ZINC000639232234 355213653 /nfs/dbraw/zinc/21/36/53/355213653.db2.gz CWZZMIKIUKZVNS-ZYHUDNBSSA-N 0 3 226.320 0.751 20 0 BCADHN CO[C@@](C)(CN1CCC[C@@H]1C(N)=O)C1CC1 ZINC000639232233 355213959 /nfs/dbraw/zinc/21/39/59/355213959.db2.gz CWZZMIKIUKZVNS-PWSUYJOCSA-N 0 3 226.320 0.751 20 0 BCADHN CN1CCC[C@H]1CNC(=O)C1(O)CCCCC1 ZINC000335243653 355180225 /nfs/dbraw/zinc/18/02/25/355180225.db2.gz MLBGBVWMCPIZKV-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCC[C@H](CO)C1)N(C)C ZINC000412941210 191329397 /nfs/dbraw/zinc/32/93/97/191329397.db2.gz RXFGYGUYYXWGCS-QJPTWQEYSA-N 0 3 242.363 0.994 20 0 BCADHN Nc1ncc(CNC[C@@H]2C[C@H]2C2CC2)c(N)n1 ZINC000639239763 355223483 /nfs/dbraw/zinc/22/34/83/355223483.db2.gz DVHFXOPDTDQEDC-WPRPVWTQSA-N 0 3 233.319 0.437 20 0 BCADHN CC[C@H](NC[C@H](OC)C1CC1)C(=O)NC ZINC000639240932 355225991 /nfs/dbraw/zinc/22/59/91/355225991.db2.gz DLKMSXQPEYYESB-UWVGGRQHSA-N 0 3 214.309 0.526 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@@H]1C(=O)OC)N(C)C ZINC000413129287 191358050 /nfs/dbraw/zinc/35/80/50/191358050.db2.gz XUXYOPUUYFHKQQ-VHSXEESVSA-N 0 3 242.319 0.491 20 0 BCADHN CC[C@H](NC[C@](C)(CC)OC)C(=O)NC ZINC000639242314 355227253 /nfs/dbraw/zinc/22/72/53/355227253.db2.gz QUTZETMDIFBHGU-ONGXEEELSA-N 0 3 216.325 0.916 20 0 BCADHN CC[C@H](NC[C@@H](OC)[C@@H]1CCOC1)C(=O)NC ZINC000639241666 355227308 /nfs/dbraw/zinc/22/73/08/355227308.db2.gz LEGLZEHCQQIPOF-OUAUKWLOSA-N 0 3 244.335 0.152 20 0 BCADHN C[C@H]1CN(CCO)CCN1CCC[C@@H]1CCO1 ZINC000639242975 355229655 /nfs/dbraw/zinc/22/96/55/355229655.db2.gz CDNWVAQSVJIZMJ-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](C)OC[C@@H]1C)N(C)C ZINC000413134478 191359449 /nfs/dbraw/zinc/35/94/49/191359449.db2.gz LMLBNGMVGBDPAI-HBNTYKKESA-N 0 3 228.336 0.962 20 0 BCADHN CCC[C@H](CN[C@H](CC)C(=O)NC)OC ZINC000639243172 355229977 /nfs/dbraw/zinc/22/99/77/355229977.db2.gz YKEHQJKSADHOSM-NXEZZACHSA-N 0 3 216.325 0.916 20 0 BCADHN C[C@]1(CNCc2ccns2)CCC(=O)N1 ZINC000639244195 355230785 /nfs/dbraw/zinc/23/07/85/355230785.db2.gz IMTXAWOKKJIOCI-SNVBAGLBSA-N 0 3 225.317 0.901 20 0 BCADHN CC[C@H](CN1CCSC[C@H]1CO)OC ZINC000412979023 191349122 /nfs/dbraw/zinc/34/91/22/191349122.db2.gz RZGHKZRPDGAUKW-NXEZZACHSA-N 0 3 219.350 0.821 20 0 BCADHN CC[C@@H](CN1CCSC[C@@H]1CO)OC ZINC000412979024 191349582 /nfs/dbraw/zinc/34/95/82/191349582.db2.gz RZGHKZRPDGAUKW-UWVGGRQHSA-N 0 3 219.350 0.821 20 0 BCADHN CC[C@H](CO)N1CCN(C[C@H](CC)OC)CC1 ZINC000412980124 191350691 /nfs/dbraw/zinc/35/06/91/191350691.db2.gz WFYOVDGDNJMZAA-OLZOCXBDSA-N 0 3 244.379 0.800 20 0 BCADHN CCc1cc(N[C@@H]2COC[C@@H]2OC)ccn1 ZINC000413459960 191382086 /nfs/dbraw/zinc/38/20/86/191382086.db2.gz RPIOECAKHCGBKU-NEPJUHHUSA-N 0 3 222.288 0.892 20 0 BCADHN COC(=O)C[C@H](C)CC(=O)NCCN(C)C ZINC000347684684 355268652 /nfs/dbraw/zinc/26/86/52/355268652.db2.gz PBUQMBAPVVJWLD-SECBINFHSA-N 0 3 230.308 0.254 20 0 BCADHN CNC(=O)CCN[C@H](C)c1ccnc(OC)c1 ZINC000347641870 355271290 /nfs/dbraw/zinc/27/12/90/355271290.db2.gz BYYCMMOMTLDRCC-SECBINFHSA-N 0 3 237.303 0.877 20 0 BCADHN CC[C@H](C(=O)N[C@H](C(=O)OC)C1CC1)N(C)C ZINC000413550129 191395723 /nfs/dbraw/zinc/39/57/23/191395723.db2.gz WMRWMBBFMFQWKV-ZJUUUORDSA-N 0 3 242.319 0.394 20 0 BCADHN COCC[C@@H](C)CNC(=O)N[C@@H](C)CN(C)C ZINC000413546918 191396017 /nfs/dbraw/zinc/39/60/17/191396017.db2.gz SKLLVYQCMGPEDH-MNOVXSKESA-N 0 3 245.367 0.908 20 0 BCADHN C[C@@H]1CN(c2ccc(=O)n(C)n2)C[C@H](C)N1C ZINC000413303256 191369895 /nfs/dbraw/zinc/36/98/95/191369895.db2.gz VQYNTCRFIQKNME-AOOOYVTPSA-N 0 3 236.319 0.309 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@H]1CN(C)C)N(C)C ZINC000413344913 191373483 /nfs/dbraw/zinc/37/34/83/191373483.db2.gz XEKOHBNCLKVFOR-RYUDHWBXSA-N 0 3 241.379 0.879 20 0 BCADHN CCOC(=O)C(C)(C)NC(=O)[C@H](CC)N(C)C ZINC000413336430 191375636 /nfs/dbraw/zinc/37/56/36/191375636.db2.gz GXTJLMGRVGISRG-VIFPVBQESA-N 0 3 244.335 0.785 20 0 BCADHN CN1CCC[C@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000623226457 355291020 /nfs/dbraw/zinc/29/10/20/355291020.db2.gz BCDHLSGRHTZHJI-QWRGUYRKSA-N 0 3 225.336 0.291 20 0 BCADHN C=Cn1cc(CNC[C@H]2C[C@@H](O)C2)cn1 ZINC000623748986 355298270 /nfs/dbraw/zinc/29/82/70/355298270.db2.gz PWKUKBUWPROQMO-JGZJWPJOSA-N 0 3 207.277 0.844 20 0 BCADHN Nc1ncc(CN[C@H]2CCC[C@@H]3C[C@@H]32)c(N)n1 ZINC000639258986 355306858 /nfs/dbraw/zinc/30/68/58/355306858.db2.gz PMVDRPSFTLXHHC-JEZHCXPESA-N 0 3 233.319 0.580 20 0 BCADHN O=C1C[C@H]2CC[C@@H](C1)N2CCN1CCOCC1 ZINC000034140242 355310317 /nfs/dbraw/zinc/31/03/17/355310317.db2.gz GNTXBBSAKCQPTO-TXEJJXNPSA-N 0 3 238.331 0.515 20 0 BCADHN O=C1NCCC[C@@H]1CNCc1ccns1 ZINC000639260553 355313104 /nfs/dbraw/zinc/31/31/04/355313104.db2.gz YHMYRDJQLBLGRD-MRVPVSSYSA-N 0 3 225.317 0.759 20 0 BCADHN CN(C)c1ncc(CNC[C@H]2C[C@@H](O)C2)n1C ZINC000623749220 355320569 /nfs/dbraw/zinc/32/05/69/355320569.db2.gz ZHJBJHVXUPNXLM-JGZJWPJOSA-N 0 3 238.335 0.347 20 0 BCADHN OCCC1CN(Cc2ccc(CO)cc2)C1 ZINC000639250238 355282518 /nfs/dbraw/zinc/28/25/18/355282518.db2.gz MEKHUSUYSOJDMG-UHFFFAOYSA-N 0 3 221.300 0.993 20 0 BCADHN CCC[C@@H](CN1CC(C(=O)NCC)C1)OC ZINC000639251368 355284167 /nfs/dbraw/zinc/28/41/67/355284167.db2.gz MWQWOPIFMXBWED-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CO[C@]1(CN2CC(C(F)F)C2)CCOC1 ZINC000639252306 355287237 /nfs/dbraw/zinc/28/72/37/355287237.db2.gz DVBGBGJKBHVSPK-JTQLQIEISA-N 0 3 221.247 0.989 20 0 BCADHN CNCC(=O)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623237345 355371007 /nfs/dbraw/zinc/37/10/07/355371007.db2.gz YLJJGVJLALWAGA-LBPRGKRZSA-N 0 3 247.298 0.035 20 0 BCADHN CCC[C@@H](CN1CC(C)(C(N)=O)C1)OC ZINC000639282155 355377306 /nfs/dbraw/zinc/37/73/06/355377306.db2.gz NOQPUJIOZFJYJP-VIFPVBQESA-N 0 3 214.309 0.609 20 0 BCADHN CO[C@](C)(CN1CC(C)(C(N)=O)C1)C1CC1 ZINC000639282149 355377675 /nfs/dbraw/zinc/37/76/75/355377675.db2.gz NLFFIXLYSAKUFZ-GFCCVEGCSA-N 0 3 226.320 0.609 20 0 BCADHN CC(=O)NCCN(C)Cc1ccc(=O)[nH]c1 ZINC000639284850 355386495 /nfs/dbraw/zinc/38/64/95/355386495.db2.gz CYAVJPFYDSMMBY-UHFFFAOYSA-N 0 3 223.276 0.355 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cnn(C)c2)CCN1C ZINC000335740584 355390029 /nfs/dbraw/zinc/39/00/29/355390029.db2.gz LJWWKXWODCPZGY-KOLCDFICSA-N 0 3 236.319 0.633 20 0 BCADHN Cc1ncc(CNC[C@@H]2COCCO2)n1C ZINC000583511137 355347965 /nfs/dbraw/zinc/34/79/65/355347965.db2.gz RCWNZCPTJCONTD-LLVKDONJSA-N 0 3 225.292 0.234 20 0 BCADHN Cc1nnsc1CNCC1(CC(N)=O)CC1 ZINC000639275442 355351629 /nfs/dbraw/zinc/35/16/29/355351629.db2.gz VWTNMWCPFBDELZ-UHFFFAOYSA-N 0 3 240.332 0.592 20 0 BCADHN Nc1ncc(CN[C@@H]2C[C@H]2C2CCC2)c(N)n1 ZINC000639277269 355354479 /nfs/dbraw/zinc/35/44/79/355354479.db2.gz KJUMTIMSFBZDDP-VHSXEESVSA-N 0 3 233.319 0.580 20 0 BCADHN CC1=CCN(CCC(=O)N2CCOCC2)CC1 ZINC000335776665 355402155 /nfs/dbraw/zinc/40/21/55/355402155.db2.gz AMFZXNLVLKISJD-UHFFFAOYSA-N 0 3 238.331 0.887 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCC(C)(C)CC1 ZINC000335777340 355403236 /nfs/dbraw/zinc/40/32/36/355403236.db2.gz KNNMNBKBXGXVED-QMMMGPOBSA-N 0 3 227.308 0.692 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C1(O)CCC1 ZINC000335778853 355405367 /nfs/dbraw/zinc/40/53/67/355405367.db2.gz HYLNOBORVQNZCQ-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN CCN(CC(=O)NCC(=O)OC)C1CCC1 ZINC000349740164 355425646 /nfs/dbraw/zinc/42/56/46/355425646.db2.gz ACPNFNFLXHOTQI-UHFFFAOYSA-N 0 3 228.292 0.150 20 0 BCADHN CN(C)C(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000335785122 355433662 /nfs/dbraw/zinc/43/36/62/355433662.db2.gz YPYAJNRTPLHYOB-SNVBAGLBSA-N 0 3 234.299 0.537 20 0 BCADHN CO[C@H](C(=O)NC[C@@H]1CCCN1C)C1CC1 ZINC000349856027 355499502 /nfs/dbraw/zinc/49/95/02/355499502.db2.gz YIBBSQOEWRBYJY-QWRGUYRKSA-N 0 3 226.320 0.622 20 0 BCADHN CCCN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000335812461 355499583 /nfs/dbraw/zinc/49/95/83/355499583.db2.gz UGUAHCAZFMEEDJ-LLVKDONJSA-N 0 3 225.336 0.293 20 0 BCADHN O=C1C[C@H]2CC[C@@H](CN1)N2CCc1ccncc1 ZINC000335795402 355451205 /nfs/dbraw/zinc/45/12/05/355451205.db2.gz VUPHPVNCIWSULN-OLZOCXBDSA-N 0 3 245.326 0.977 20 0 BCADHN CC[C@H](NC[C@@]1(O)CCOC1)c1ccn(C)n1 ZINC000349775200 355458121 /nfs/dbraw/zinc/45/81/21/355458121.db2.gz KKGODNOOYYBWGW-JQWIXIFHSA-N 0 3 239.319 0.612 20 0 BCADHN CC(C)N(C)C[C@H](C)NS(=O)(=O)NC1CC1 ZINC000349803069 355465952 /nfs/dbraw/zinc/46/59/52/355465952.db2.gz RGBZJCVFDPQQSR-VIFPVBQESA-N 0 3 249.380 0.302 20 0 BCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N(C)C ZINC000349824550 355470027 /nfs/dbraw/zinc/47/00/27/355470027.db2.gz ZBDCWKXUWRJFKK-LLVKDONJSA-N 0 3 242.367 0.284 20 0 BCADHN Cc1cnn(C)c1CN1C[C@@H](O)C[C@@H]1C ZINC000335806920 355479078 /nfs/dbraw/zinc/47/90/78/355479078.db2.gz WVVOXOVVJQSHIX-UWVGGRQHSA-N 0 3 209.293 0.684 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@@H]1CNCCC1(F)F ZINC000414997247 191645468 /nfs/dbraw/zinc/64/54/68/191645468.db2.gz HGZWCOJWSOXPTM-XHNCKOQMSA-N 0 3 220.263 0.751 20 0 BCADHN CC(C)N1CC[C@@H](N(C)CCCCO)C1=O ZINC000349957184 355536278 /nfs/dbraw/zinc/53/62/78/355536278.db2.gz ZYXICEUQWMAWQP-LLVKDONJSA-N 0 3 228.336 0.700 20 0 BCADHN COc1ncc(CN[C@H]2C[C@@H](C(N)=O)C2)s1 ZINC000639293136 355539404 /nfs/dbraw/zinc/53/94/04/355539404.db2.gz FPSJNSFCGGCMHG-KNVOCYPGSA-N 0 3 241.316 0.505 20 0 BCADHN CC[C@@]1(CO)CCCN([C@H]2CCCNC2=O)C1 ZINC000335821322 355540225 /nfs/dbraw/zinc/54/02/25/355540225.db2.gz NNVOLZJFRFQVTJ-WCQYABFASA-N 0 3 240.347 0.750 20 0 BCADHN CO[C@H](CN1CC(N2CC[C@@H](O)C2)C1)C1CC1 ZINC000639293264 355545212 /nfs/dbraw/zinc/54/52/12/355545212.db2.gz ABKANUXPBXQROJ-CHWSQXEVSA-N 0 3 240.347 0.162 20 0 BCADHN CC(C)OCC[C@H](O)CN1C[C@@H](O)C2(CC2)C1 ZINC000349873172 355513925 /nfs/dbraw/zinc/51/39/25/355513925.db2.gz DEWADEVFRVFWQM-NWDGAFQWSA-N 0 3 243.347 0.619 20 0 BCADHN CC(C)OCC[C@@H](O)CN(CC(N)=O)C(C)C ZINC000349881015 355517673 /nfs/dbraw/zinc/51/76/73/355517673.db2.gz LDPBNJAHJQEPLM-LLVKDONJSA-N 0 3 246.351 0.358 20 0 BCADHN N=C(NO)[C@H]1CCCCN1Cc1ccno1 ZINC000368524321 181200353 /nfs/dbraw/zinc/20/03/53/181200353.db2.gz JZGVVUZJAVPEIN-SECBINFHSA-N 0 3 224.264 0.985 20 0 BCADHN OC[C@@H](CCF)NCc1ccns1 ZINC000639296473 355594890 /nfs/dbraw/zinc/59/48/90/355594890.db2.gz RQARYAVWLGDJLA-SSDOTTSWSA-N 0 3 204.270 0.953 20 0 BCADHN NC(=O)CCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331748351 181201164 /nfs/dbraw/zinc/20/11/64/181201164.db2.gz FELIZFPMVDDWJG-MRVPVSSYSA-N 0 3 240.307 0.448 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N(C)C(C)(C)C ZINC000583562747 355613287 /nfs/dbraw/zinc/61/32/87/355613287.db2.gz JXDGMJJLNNAVPN-QMMMGPOBSA-N 0 3 229.324 0.951 20 0 BCADHN CS[C@@H]1CN(C(=O)N(C)C)C[C@@H]1N(C)C ZINC000335838002 355566663 /nfs/dbraw/zinc/56/66/63/355566663.db2.gz LYDDQQMOTITFRP-DTWKUNHWSA-N 0 3 231.365 0.645 20 0 BCADHN O=C(COC(F)F)N[C@H]1CCN(C2CC2)C1 ZINC000350144477 355614168 /nfs/dbraw/zinc/61/41/68/355614168.db2.gz SGNCVDFYFVCZCG-ZETCQYMHSA-N 0 3 234.246 0.579 20 0 BCADHN C[C@H](O)CCN1CCC[C@@H](N2CCCC2=O)C1 ZINC000584347155 355571221 /nfs/dbraw/zinc/57/12/21/355571221.db2.gz HFEAOIJHIFMIAU-NWDGAFQWSA-N 0 3 240.347 0.844 20 0 BCADHN COc1cc(C[C@H](C)N[C@H]2CCNC2=O)ccn1 ZINC000639302812 355650503 /nfs/dbraw/zinc/65/05/03/355650503.db2.gz JNHRAJPBOWNOJN-ONGXEEELSA-N 0 3 249.314 0.499 20 0 BCADHN COCCCCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000417034324 191774228 /nfs/dbraw/zinc/77/42/28/191774228.db2.gz RPROROZWMGQOHH-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CNC(=O)[C@]1(C)CCN(Cc2cc(C)no2)C1 ZINC000336006700 134049275 /nfs/dbraw/zinc/04/92/75/134049275.db2.gz YHZAXXLODORWHW-GFCCVEGCSA-N 0 3 237.303 0.941 20 0 BCADHN c1ncn(CCN2CCC[C@H]3COC[C@H]32)n1 ZINC000367106427 355704729 /nfs/dbraw/zinc/70/47/29/355704729.db2.gz IXWRPMXVCXIKCJ-WDEREUQCSA-N 0 3 222.292 0.389 20 0 BCADHN CCOCCCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000416815199 191765532 /nfs/dbraw/zinc/76/55/32/191765532.db2.gz NPFBIQSENOXVPH-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN CNC(=O)NC(=O)CN(C)C1(C)CCCC1 ZINC000335892519 355685095 /nfs/dbraw/zinc/68/50/95/355685095.db2.gz LFGGBOGYAMCJGI-UHFFFAOYSA-N 0 3 227.308 0.707 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H](O)C1 ZINC000350635097 355735336 /nfs/dbraw/zinc/73/53/36/355735336.db2.gz YODMWZWKMJINLH-GMTAPVOTSA-N 0 3 226.320 0.452 20 0 BCADHN CC[C@H](C(=O)N1Cc2cnn(C)c2C1)N(C)C ZINC000623247478 355772962 /nfs/dbraw/zinc/77/29/62/355772962.db2.gz DPLFHZUORIZMDF-SNVBAGLBSA-N 0 3 236.319 0.603 20 0 BCADHN CN(C)C1(CNC(=O)N2CCCO2)CCC1 ZINC000336020033 134054043 /nfs/dbraw/zinc/05/40/43/134054043.db2.gz HXVQLPGSVLCUGO-UHFFFAOYSA-N 0 3 227.308 0.818 20 0 BCADHN CC1(O)CN(C(=O)C23CCCN2CCC3)C1 ZINC000336010136 134050656 /nfs/dbraw/zinc/05/06/56/134050656.db2.gz MAUMLRAJMWCMIQ-UHFFFAOYSA-N 0 3 224.304 0.208 20 0 BCADHN CC1(C)CC(NCc2cnc(N)nc2N)C1 ZINC000639332240 355758084 /nfs/dbraw/zinc/75/80/84/355758084.db2.gz HDAFANAQBRACJT-UHFFFAOYSA-N 0 3 221.308 0.580 20 0 BCADHN CCC[C@H](CN1CCN(C)C[C@H]1CO)OC ZINC000639333025 355761533 /nfs/dbraw/zinc/76/15/33/355761533.db2.gz GAJFCBGDTFBGTO-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN CC[C@H](C)[C@H](CN1CCN(C)C[C@H]1CO)OC ZINC000639334564 355764976 /nfs/dbraw/zinc/76/49/76/355764976.db2.gz SQDRUNIKROFMDA-AVGNSLFASA-N 0 3 244.379 0.656 20 0 BCADHN CN1CCN(C[C@H]2CC=CCC2)[C@@H](CO)C1 ZINC000639336022 355768216 /nfs/dbraw/zinc/76/82/16/355768216.db2.gz CWIDEDDVHZZXRN-QWHCGFSZSA-N 0 3 224.348 0.951 20 0 BCADHN CO[C@@H](CN[C@H]1CCNC1=O)C1CCCC1 ZINC000639337078 355774381 /nfs/dbraw/zinc/77/43/81/355774381.db2.gz JOFJIANOIOCJOY-QWRGUYRKSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)[C@H](N)C1CCC1 ZINC000399156131 355770502 /nfs/dbraw/zinc/77/05/02/355770502.db2.gz DDTSSQZXICKEDX-PSASIEDQSA-N 0 3 214.309 0.343 20 0 BCADHN CC[C@H](C)[C@@H](CN[C@H]1CCNC1=O)OC ZINC000639336343 355771015 /nfs/dbraw/zinc/77/10/15/355771015.db2.gz BQEXMSYVQFZSEH-LPEHRKFASA-N 0 3 214.309 0.526 20 0 BCADHN CNC(=O)[C@H]1CCCN1C[C@H](OC)C1CC1 ZINC000425411558 191847864 /nfs/dbraw/zinc/84/78/64/191847864.db2.gz YLDFKMZFTIJPHV-MNOVXSKESA-N 0 3 226.320 0.622 20 0 BCADHN Cn1cc(CCCNCc2cn[nH]n2)cn1 ZINC000639340901 355783050 /nfs/dbraw/zinc/78/30/50/355783050.db2.gz IQYABNZRNQWXOM-UHFFFAOYSA-N 0 3 220.280 0.261 20 0 BCADHN CO[C@](C)(CNCc1cn[nH]n1)C1CC1 ZINC000639342547 355784679 /nfs/dbraw/zinc/78/46/79/355784679.db2.gz XWFHJSGRYUTQBG-SNVBAGLBSA-N 0 3 210.281 0.709 20 0 BCADHN C[C@H]1C[C@@H](N(CCO)CCO)CS1 ZINC000639342868 355785509 /nfs/dbraw/zinc/78/55/09/355785509.db2.gz DNQUVWSNIKFVGW-DTWKUNHWSA-N 0 3 205.323 0.167 20 0 BCADHN CC[C@H](C)[C@@H](CN(CCO)CCO)OC ZINC000639343854 355786478 /nfs/dbraw/zinc/78/64/78/355786478.db2.gz NIXGWRXBQQBTPL-WDEREUQCSA-N 0 3 219.325 0.334 20 0 BCADHN Nc1ncc(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)c(N)n1 ZINC000639343960 355787265 /nfs/dbraw/zinc/78/72/65/355787265.db2.gz RMKBXCIXUBEMOL-BBBLOLIVSA-N 0 3 247.346 0.828 20 0 BCADHN CCn1nncc1CN[C@H]1CCCNC(=O)C1 ZINC000639344198 355787736 /nfs/dbraw/zinc/78/77/36/355787736.db2.gz WIDRRHMNONDLNC-VIFPVBQESA-N 0 3 237.307 0.056 20 0 BCADHN C[C@H](C(=O)NC(C)(C)C)N(C)C[C@H](C)CO ZINC000608498589 355826815 /nfs/dbraw/zinc/82/68/15/355826815.db2.gz WIGWFWFRDSXKGJ-VHSXEESVSA-N 0 3 230.352 0.850 20 0 BCADHN O[C@H]1CN(Cc2cccc3ncccc23)C[C@@H]1O ZINC000639345220 355791908 /nfs/dbraw/zinc/79/19/08/355791908.db2.gz IVYZQBMCCAEXCX-KBPBESRZSA-N 0 3 244.294 0.772 20 0 BCADHN NC(=O)[C@H]1C[C@H](NCc2ccns2)C1 ZINC000639345936 355792340 /nfs/dbraw/zinc/79/23/40/355792340.db2.gz CWQWECGACJQJJW-LJGSYFOKSA-N 0 3 211.290 0.497 20 0 BCADHN CC[C@H](C)[C@@H](CN1C[C@H](O)[C@@H](O)C1)OC ZINC000639347416 355793614 /nfs/dbraw/zinc/79/36/14/355793614.db2.gz IXGQDJCNCOMJPD-XWLWVQCSSA-N 0 3 217.309 0.085 20 0 BCADHN C[C@@H](N[C@@H]1CCS(=O)(=O)[C@@H]1C)[C@@H]1CCCO1 ZINC000639351343 355798157 /nfs/dbraw/zinc/79/81/57/355798157.db2.gz BOFONCGYIWZTMD-DBIOUOCHSA-N 0 3 247.360 0.719 20 0 BCADHN C[C@H]1[C@H](Nc2ccnc(C(N)=O)c2)CCCN1C ZINC000350828878 355804123 /nfs/dbraw/zinc/80/41/23/355804123.db2.gz XQGYGVXEAFMNBS-GXSJLCMTSA-N 0 3 248.330 0.497 20 0 BCADHN NC(=O)C1(NC[C@@H](O)CC2CCCC2)CC1 ZINC000309553226 181213656 /nfs/dbraw/zinc/21/36/56/181213656.db2.gz GQNWTJXKVSANOZ-JTQLQIEISA-N 0 3 226.320 0.535 20 0 BCADHN C[C@@H](Cc1ccsc1)N(CCO)CCO ZINC000628369687 355876709 /nfs/dbraw/zinc/87/67/09/355876709.db2.gz RUYNXCGJNPYSEL-JTQLQIEISA-N 0 3 229.345 0.966 20 0 BCADHN COC[C@H](CC(C)C)NCc1cn[nH]n1 ZINC000628363465 355848295 /nfs/dbraw/zinc/84/82/95/355848295.db2.gz LNZDATPDVKSZMI-VIFPVBQESA-N 0 3 212.297 0.955 20 0 BCADHN COC[C@H](CC(C)C)NCc1c[nH]nn1 ZINC000628363465 355848297 /nfs/dbraw/zinc/84/82/97/355848297.db2.gz LNZDATPDVKSZMI-VIFPVBQESA-N 0 3 212.297 0.955 20 0 BCADHN COc1ccc(CNC[C@H](O)C2CC2)cn1 ZINC000166804633 355849106 /nfs/dbraw/zinc/84/91/06/355849106.db2.gz DAIRGEDSKBJGPN-NSHDSACASA-N 0 3 222.288 0.951 20 0 BCADHN COc1ccc(CN[C@@H](C)C[S@@](C)=O)cn1 ZINC000166813993 355851142 /nfs/dbraw/zinc/85/11/42/355851142.db2.gz MCJJQKOVIKCTPG-FVMDXXJSSA-N 0 3 242.344 0.947 20 0 BCADHN C[C@@H](NCc1ccc(=O)[nH]c1)C(=O)NCCF ZINC000631127874 355855813 /nfs/dbraw/zinc/85/58/13/355855813.db2.gz IPOVBICRLJPVOX-MRVPVSSYSA-N 0 3 241.266 0.351 20 0 BCADHN CN(CC1=CCCOC1)[C@@]1(CO)CCOC1 ZINC000628366795 355861940 /nfs/dbraw/zinc/86/19/40/355861940.db2.gz BKHRNBNOHWXFLX-GFCCVEGCSA-N 0 3 227.304 0.416 20 0 BCADHN CN(Cc1ccn(C)c1)[C@@]1(CO)CCOC1 ZINC000628367203 355862560 /nfs/dbraw/zinc/86/25/60/355862560.db2.gz PLOOLTSJUJMVFN-GFCCVEGCSA-N 0 3 224.304 0.608 20 0 BCADHN Cc1cn[nH]c1CN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000628368896 355865176 /nfs/dbraw/zinc/86/51/76/355865176.db2.gz FIGFZUAGTYHQCA-SNVBAGLBSA-N 0 3 236.319 0.771 20 0 BCADHN C[C@@H](CNC(=O)C(=O)c1cccn1C)N(C)C ZINC000350895794 355868208 /nfs/dbraw/zinc/86/82/08/355868208.db2.gz OZHKZPOTURNHED-VIFPVBQESA-N 0 3 237.303 0.274 20 0 BCADHN CCO[C@@H]1C[C@@H](N(CCO)CCO)C12CCC2 ZINC000628369902 355878259 /nfs/dbraw/zinc/87/82/59/355878259.db2.gz JKRXKZVTWADQRW-VXGBXAGGSA-N 0 3 243.347 0.621 20 0 BCADHN NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000072797042 181219287 /nfs/dbraw/zinc/21/92/87/181219287.db2.gz JWWAKFVESDNDSX-UHFFFAOYSA-N 0 3 212.293 0.507 20 0 BCADHN C[C@@H]1CN(CCN2CCCCC2)C[C@H](CO)O1 ZINC000191782290 355924322 /nfs/dbraw/zinc/92/43/22/355924322.db2.gz AFTJCUDZYZVDJO-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@H]1NCCN(C(=O)[C@H]2CCCO2)[C@@H]1C ZINC000379458338 358499737 /nfs/dbraw/zinc/49/97/37/358499737.db2.gz XWCYLNRQZIGGHM-OPRDCNLKSA-N 0 3 212.293 0.374 20 0 BCADHN CCOC[C@@H](C)NC[C@H](C)S(C)(=O)=O ZINC000389240645 355934696 /nfs/dbraw/zinc/93/46/96/355934696.db2.gz YERIYXNPNWWYHF-BDAKNGLRSA-N 0 3 223.338 0.434 20 0 BCADHN CC(C)(C)OC1CC(N(CCO)CCO)C1 ZINC000628370032 355878929 /nfs/dbraw/zinc/87/89/29/355878929.db2.gz RXDSHFFUSXHTLU-UHFFFAOYSA-N 0 3 231.336 0.619 20 0 BCADHN O=C(NCCOCC1CC1)N1CCCNCC1 ZINC000417556517 191903104 /nfs/dbraw/zinc/90/31/04/191903104.db2.gz HBEBLPAQEVHGHH-UHFFFAOYSA-N 0 3 241.335 0.418 20 0 BCADHN C[C@H]1CN(c2ncnc3n[nH]cc32)[C@@H](C)CN1C ZINC000351507940 356005634 /nfs/dbraw/zinc/00/56/34/356005634.db2.gz DNGCORQFVIRTON-IUCAKERBSA-N 0 3 246.318 0.882 20 0 BCADHN C[C@@H]1CN(c2ncnc3n[nH]cc32)[C@H](C)CN1C ZINC000351507941 356005707 /nfs/dbraw/zinc/00/57/07/356005707.db2.gz DNGCORQFVIRTON-RKDXNWHRSA-N 0 3 246.318 0.882 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000167222707 355979407 /nfs/dbraw/zinc/97/94/07/355979407.db2.gz UXOYMAPWHSIUOD-NXEZZACHSA-N 0 3 222.292 0.394 20 0 BCADHN CCN1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000351497712 356003376 /nfs/dbraw/zinc/00/33/76/356003376.db2.gz GTPNKWCWWSQSEL-GFCCVEGCSA-N 0 3 241.379 0.737 20 0 BCADHN NC(=O)CC1CCN(Cc2ccnc(N)c2)CC1 ZINC000052731554 181220787 /nfs/dbraw/zinc/22/07/87/181220787.db2.gz GBRICRFLWGPNSQ-UHFFFAOYSA-N 0 3 248.330 0.751 20 0 BCADHN CN(C)CCNC(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000367118006 355956784 /nfs/dbraw/zinc/95/67/84/355956784.db2.gz WMMUQGPNPOVRON-QWRGUYRKSA-N 0 3 241.335 0.415 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000367118004 355957346 /nfs/dbraw/zinc/95/73/46/355957346.db2.gz WMMUQGPNPOVRON-GHMZBOCLSA-N 0 3 241.335 0.415 20 0 BCADHN C[C@@H](CO)[C@H](C)N[C@@H](C)C(=O)N1CCCCC1 ZINC000167113975 355959374 /nfs/dbraw/zinc/95/93/74/355959374.db2.gz CNDDRKZBCGDKIA-SRVKXCTJSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H]1CN(Cc2ccc(C(N)=O)cc2)CC[C@@H]1O ZINC000167196193 355968428 /nfs/dbraw/zinc/96/84/28/355968428.db2.gz OZFBENSZZVABPM-GWCFXTLKSA-N 0 3 248.326 0.988 20 0 BCADHN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2)CC[C@@H]1O ZINC000167196094 355968752 /nfs/dbraw/zinc/96/87/52/355968752.db2.gz OZFBENSZZVABPM-MFKMUULPSA-N 0 3 248.326 0.988 20 0 BCADHN CCO[C@H](C)C(=O)NC[C@](C)(O)CCN(C)C ZINC000352104420 134067925 /nfs/dbraw/zinc/06/79/25/134067925.db2.gz FKGNHVYHJZKHHI-ZYHUDNBSSA-N 0 3 246.351 0.230 20 0 BCADHN COCCCCCN1CCc2nn[nH]c2C1 ZINC000351633264 356037985 /nfs/dbraw/zinc/03/79/85/356037985.db2.gz MXIODAYZGYELBD-UHFFFAOYSA-N 0 3 224.308 0.980 20 0 BCADHN COCCCCCN1CCc2n[nH]nc2C1 ZINC000351633264 356037988 /nfs/dbraw/zinc/03/79/88/356037988.db2.gz MXIODAYZGYELBD-UHFFFAOYSA-N 0 3 224.308 0.980 20 0 BCADHN C[C@H]1CC[C@@H](N(CCO)CC(=O)N(C)C)C1 ZINC000351644947 356042618 /nfs/dbraw/zinc/04/26/18/356042618.db2.gz BLHBIGHYSMXWDT-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN COCCNCCNC(=O)C1CC=CC1 ZINC000216406890 356061846 /nfs/dbraw/zinc/06/18/46/356061846.db2.gz GSMSSWLHPSKLSP-UHFFFAOYSA-N 0 3 212.293 0.305 20 0 BCADHN NC(=O)CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000076995855 181229203 /nfs/dbraw/zinc/22/92/03/181229203.db2.gz IQXWTVARQHYSLL-NSHDSACASA-N 0 3 226.320 0.895 20 0 BCADHN CC[C@@H](CCO)CNCc1cncnc1 ZINC000087362603 491086428 /nfs/dbraw/zinc/08/64/28/491086428.db2.gz QAHZUENXZUVGNH-JTQLQIEISA-N 0 3 209.293 0.975 20 0 BCADHN NC(=O)CN1CCNCc2ccccc21 ZINC000062818851 181232894 /nfs/dbraw/zinc/23/28/94/181232894.db2.gz CQCUSUWYXLNVMU-UHFFFAOYSA-N 0 3 205.261 0.082 20 0 BCADHN c1cn(CCCN2CCc3nn[nH]c3C2)cn1 ZINC000351614364 356028687 /nfs/dbraw/zinc/02/86/87/356028687.db2.gz GMNVSKBYNOPHGY-UHFFFAOYSA-N 0 3 232.291 0.450 20 0 BCADHN c1cn(CCCN2CCc3n[nH]nc3C2)cn1 ZINC000351614364 356028691 /nfs/dbraw/zinc/02/86/91/356028691.db2.gz GMNVSKBYNOPHGY-UHFFFAOYSA-N 0 3 232.291 0.450 20 0 BCADHN CCNC(=O)CC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000617552123 356108039 /nfs/dbraw/zinc/10/80/39/356108039.db2.gz HANGNVTUZGSGFD-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CCN(C(=O)C1=CCOCC1)[C@@H]1CCN(C)C1 ZINC000617552702 356108142 /nfs/dbraw/zinc/10/81/42/356108142.db2.gz SZJHOFAVPSWNDC-GFCCVEGCSA-N 0 3 238.331 0.886 20 0 BCADHN CN(Cc1ccnn1C)[C@H]1CN2CCC1CC2 ZINC000639399926 356128097 /nfs/dbraw/zinc/12/80/97/356128097.db2.gz VZLLHCYCGNOZFN-ZDUSSCGKSA-N 0 3 234.347 0.946 20 0 BCADHN CCN(C(=O)c1c[nH]cn1)[C@@H]1CCN(C)C1 ZINC000617554379 356110077 /nfs/dbraw/zinc/11/00/77/356110077.db2.gz APNDQXGIVDCCGY-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN CCN(C(=O)c1cnc[nH]1)[C@@H]1CCN(C)C1 ZINC000617554379 356110080 /nfs/dbraw/zinc/11/00/80/356110080.db2.gz APNDQXGIVDCCGY-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN CCN(C(=O)c1cn(C)cn1)[C@@H]1CCN(C)C1 ZINC000617554233 356110165 /nfs/dbraw/zinc/11/01/65/356110165.db2.gz YMNUBEKYTFJMEM-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN CCN(C(=O)[C@@H]1CCOC1)[C@@H]1CCN(C)C1 ZINC000617556182 356110343 /nfs/dbraw/zinc/11/03/43/356110343.db2.gz LDHVYRMNQDUUON-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN CCN(C(=O)c1ccnnc1C)[C@H]1CCN(C)C1 ZINC000617554061 356110446 /nfs/dbraw/zinc/11/04/46/356110446.db2.gz WDZYAHQJIIHGBW-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CCN(C(=O)[C@@H]1CCCOC1)[C@@H]1CCN(C)C1 ZINC000617556542 356112539 /nfs/dbraw/zinc/11/25/39/356112539.db2.gz SILFFRANLITUDA-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](OC)C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000617556839 356113756 /nfs/dbraw/zinc/11/37/56/356113756.db2.gz YWGDSFOUZSANEB-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@H](OC)C(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000617556837 356113807 /nfs/dbraw/zinc/11/38/07/356113807.db2.gz YWGDSFOUZSANEB-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CCN(C(=O)c1cc(C)n[nH]1)[C@H]1CCN(C)C1 ZINC000617556952 356114514 /nfs/dbraw/zinc/11/45/14/356114514.db2.gz AWRZALHAYCCIPQ-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN CCN(C(=O)c1cc(C)[nH]n1)[C@H]1CCN(C)C1 ZINC000617556952 356114516 /nfs/dbraw/zinc/11/45/16/356114516.db2.gz AWRZALHAYCCIPQ-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN CCN(C(=O)c1c[nH]nc1C)[C@@H]1CCN(C)C1 ZINC000617557887 356114940 /nfs/dbraw/zinc/11/49/40/356114940.db2.gz VMYBIISTHOQVMI-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN NC(=O)C[C@@H]1CCN(C/C=C/Cl)C1 ZINC000377602637 181243002 /nfs/dbraw/zinc/24/30/02/181243002.db2.gz FQEPOOKGWZTMRE-LKVYWMSASA-N 0 3 202.685 0.936 20 0 BCADHN CCN(C(=O)[C@@H](COC)OC)[C@@H]1CCN(C)C1 ZINC000617561733 356117995 /nfs/dbraw/zinc/11/79/95/356117995.db2.gz SDRMUSRPEDAHMY-GHMZBOCLSA-N 0 3 244.335 0.200 20 0 BCADHN CCN(C(=O)COC)[C@@H]1CCN(C)C1 ZINC000617561851 356118721 /nfs/dbraw/zinc/11/87/21/356118721.db2.gz VHECAFHEKPMTAA-SECBINFHSA-N 0 3 200.282 0.185 20 0 BCADHN CCN(C(=O)C1CCOCC1)[C@@H]1CCN(C)C1 ZINC000617560273 356120650 /nfs/dbraw/zinc/12/06/50/356120650.db2.gz LGVONJVGUAHGRO-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(C(=O)[C@@H](C)NC(C)=O)[C@H]1CCN(C)C1 ZINC000617560682 356121355 /nfs/dbraw/zinc/12/13/55/356121355.db2.gz VLCVNSIASDMJLC-KOLCDFICSA-N 0 3 241.335 0.064 20 0 BCADHN CC(C)CC(=O)NC[C@](C)(O)CCN(C)C ZINC000352126248 134075129 /nfs/dbraw/zinc/07/51/29/134075129.db2.gz QZSFSAWRRMRMMT-GFCCVEGCSA-N 0 3 230.352 0.851 20 0 BCADHN CC(C)N(C)CC(=O)N(C)Cc1cc[nH]n1 ZINC000351739220 356076257 /nfs/dbraw/zinc/07/62/57/356076257.db2.gz DKELAELFIOXHQG-UHFFFAOYSA-N 0 3 224.308 0.708 20 0 BCADHN NC(=O)C[C@H]1CCN(Cc2ccco2)C1 ZINC000368133074 181246697 /nfs/dbraw/zinc/24/66/97/181246697.db2.gz IFUQCEBWTAVPTC-SECBINFHSA-N 0 3 208.261 0.977 20 0 BCADHN NC(=O)Cc1ccc(NC(=O)CNC2CC2)cc1 ZINC000037609586 181247600 /nfs/dbraw/zinc/24/76/00/181247600.db2.gz PVQBYPCUCWJBGY-UHFFFAOYSA-N 0 3 247.298 0.405 20 0 BCADHN CCN(C(=O)COC(F)F)[C@@H]1CCN(C)C1 ZINC000617550725 356093257 /nfs/dbraw/zinc/09/32/57/356093257.db2.gz BNVVGBWNBNAKLO-MRVPVSSYSA-N 0 3 236.262 0.778 20 0 BCADHN CCCN(C)CC(=O)N(C)Cc1cc[nH]n1 ZINC000351840888 356094952 /nfs/dbraw/zinc/09/49/52/356094952.db2.gz HLTQVGNOYPCGSN-UHFFFAOYSA-N 0 3 224.308 0.710 20 0 BCADHN CSCCC(=O)NC[C@](C)(O)CCN(C)C ZINC000352118196 134074543 /nfs/dbraw/zinc/07/45/43/134074543.db2.gz ABLIVWMUQFSXAB-LLVKDONJSA-N 0 3 248.392 0.558 20 0 BCADHN C[C@@H](CNC(=O)N1C[C@@H](C)NC[C@@H]1C)N(C)C ZINC000418248984 192006378 /nfs/dbraw/zinc/00/63/78/192006378.db2.gz FWDXHKAQXBUNSA-VWYCJHECSA-N 0 3 242.367 0.328 20 0 BCADHN NC(=O)NC(=O)CCNC1(c2ccccc2)CC1 ZINC000299702518 181254726 /nfs/dbraw/zinc/25/47/26/181254726.db2.gz PDPAZXYUANWGIZ-UHFFFAOYSA-N 0 3 247.298 0.850 20 0 BCADHN CNC(=O)CCN1CC(C)(C)OC[C@@H]1C ZINC000336092463 134078722 /nfs/dbraw/zinc/07/87/22/134078722.db2.gz YTUCQHYIFFSDFB-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000167504305 356176138 /nfs/dbraw/zinc/17/61/38/356176138.db2.gz DPGPIQOGWBUQRP-OUAUKWLOSA-N 0 3 228.336 0.652 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@H]1COCCN1C ZINC000623710718 356134778 /nfs/dbraw/zinc/13/47/78/356134778.db2.gz LLKMUUPLQJDNDX-NSHDSACASA-N 0 3 238.335 0.447 20 0 BCADHN CCCCN1CCN(CCC(=O)N(C)C)CC1 ZINC000351884760 356135503 /nfs/dbraw/zinc/13/55/03/356135503.db2.gz QHQDDDDIWLRUCD-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CC[C@@]1(O)CCN([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000336107388 134082643 /nfs/dbraw/zinc/08/26/43/134082643.db2.gz HHRODEIIORWXDT-DGCLKSJQSA-N 0 3 240.347 0.843 20 0 BCADHN CC[C@@H](O)CN1CC[C@@H](c2nc(C)no2)C1 ZINC000332426322 356215930 /nfs/dbraw/zinc/21/59/30/356215930.db2.gz UGPUWTUDWSDPLP-NXEZZACHSA-N 0 3 225.292 0.938 20 0 BCADHN CC(C)N1CCN(C[C@H]2CCc3ncnn32)CC1 ZINC000639439692 356216244 /nfs/dbraw/zinc/21/62/44/356216244.db2.gz HDNNHVGEZSSFOF-GFCCVEGCSA-N 0 3 249.362 0.791 20 0 BCADHN CC(C)N(CC(N)=O)C[C@H]1CCO[C@@H]1C ZINC000639439812 356216323 /nfs/dbraw/zinc/21/63/23/356216323.db2.gz KRDQVCBPVVRMGB-NXEZZACHSA-N 0 3 214.309 0.607 20 0 BCADHN NC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000340566847 181259442 /nfs/dbraw/zinc/25/94/42/181259442.db2.gz RKJAEELDSXWRAV-VXGBXAGGSA-N 0 3 249.314 0.290 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCCC[C@H]1C(N)=O ZINC000639444885 356224288 /nfs/dbraw/zinc/22/42/88/356224288.db2.gz GMBAXJSKARQEDT-DCAQKATOSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H]1OCC[C@H]1CN(C)CC(=O)NC1CC1 ZINC000639446915 356227303 /nfs/dbraw/zinc/22/73/03/356227303.db2.gz WWHXFRTYYLAVLD-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](F)CCN1CCN(CCO)CC1 ZINC000351910335 356190485 /nfs/dbraw/zinc/19/04/85/356190485.db2.gz PMEZTBRSBZBBHC-JTQLQIEISA-N 0 3 204.289 0.344 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@H]1CCO[C@@H]1C ZINC000639450142 356233731 /nfs/dbraw/zinc/23/37/31/356233731.db2.gz HSZOTQNRJOPYED-GHMZBOCLSA-N 0 3 228.336 0.855 20 0 BCADHN C[C@H](C(=O)NC/C=C\CO)N1[C@H](C)CC[C@@H]1C ZINC000617689763 356281032 /nfs/dbraw/zinc/28/10/32/356281032.db2.gz QDIPQPXAVUAXGG-DKLPLTIYSA-N 0 3 240.347 0.912 20 0 BCADHN COCCN(CCO)C[C@@H]1CC(C)(C)CO1 ZINC000639472330 356262707 /nfs/dbraw/zinc/26/27/07/356262707.db2.gz LLBLYYZQYHGAPC-NSHDSACASA-N 0 3 231.336 0.742 20 0 BCADHN CO[C@H]1CCCN(C[C@@H]2CCc3ncnn32)C1 ZINC000639473062 356264220 /nfs/dbraw/zinc/26/42/20/356264220.db2.gz DTTKKEAGCSUDRX-QWRGUYRKSA-N 0 3 236.319 0.876 20 0 BCADHN C[C@H]1CN(c2cncc(-n3cccn3)n2)CCN1 ZINC000420236581 192182317 /nfs/dbraw/zinc/18/23/17/192182317.db2.gz KULYVZLDVWULTQ-JTQLQIEISA-N 0 3 244.302 0.460 20 0 BCADHN CC1=C[C@@H](C)CN([C@H](C)C(=O)NC(N)=O)C1 ZINC000336113335 134087463 /nfs/dbraw/zinc/08/74/63/134087463.db2.gz CPYCRYACGKSKSP-VXNVDRBHSA-N 0 3 225.292 0.468 20 0 BCADHN CCN(CCO)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000639475452 356269785 /nfs/dbraw/zinc/26/97/85/356269785.db2.gz YNAIOJKKZUFGHC-NEPJUHHUSA-N 0 3 231.336 0.213 20 0 BCADHN NC(=O)C[C@H]1CCCCN1CCc1cnccn1 ZINC000639475577 356270720 /nfs/dbraw/zinc/27/07/20/356270720.db2.gz ZBHNQAXCRCPABQ-GFCCVEGCSA-N 0 3 248.330 0.749 20 0 BCADHN C[C@H]1CN(c2ncnc(N)c2Cl)CCN1 ZINC000420244116 192185143 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356748611 /nfs/dbraw/zinc/74/86/11/356748611.db2.gz ACZOCNXUGLZEPH-UWVGGRQHSA-N 0 3 237.351 0.892 20 0 BCADHN CCc1nc(CN2CCN(C)[C@@H](C)[C@@H]2C)n[nH]1 ZINC000355045585 356748612 /nfs/dbraw/zinc/74/86/12/356748612.db2.gz ACZOCNXUGLZEPH-UWVGGRQHSA-N 0 3 237.351 0.892 20 0 BCADHN C[C@@H](O)CN1CCC=C(c2cnn(C)c2)C1 ZINC000639795261 356752098 /nfs/dbraw/zinc/75/20/98/356752098.db2.gz IWQLZLKJWMBJRM-SNVBAGLBSA-N 0 3 221.304 0.890 20 0 BCADHN CCN1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000152081757 356754759 /nfs/dbraw/zinc/75/47/59/356754759.db2.gz FCONJJDONMKFPC-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N1CCCN(C)CC1 ZINC000355557653 356764507 /nfs/dbraw/zinc/76/45/07/356764507.db2.gz FQWGDHGIIGQOAZ-LBPRGKRZSA-N 0 3 241.379 0.785 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NC[C@@](C)(O)CN(C)C ZINC000228751743 491102665 /nfs/dbraw/zinc/10/26/65/491102665.db2.gz TXQFITLATVITGH-ATZCPNFKSA-N 0 3 214.309 0.071 20 0 BCADHN CC[C@@H](O)CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000355791018 356775364 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205.323 0.621 20 0 BCADHN CC(C)COCCN1C[C@H](O)C[C@@]1(C)CO ZINC000639847482 356843353 /nfs/dbraw/zinc/84/33/53/356843353.db2.gz BMNUPIHLDANCPZ-NEPJUHHUSA-N 0 3 231.336 0.477 20 0 BCADHN Cc1ccnc(CN2C[C@H](O)C[C@@]2(C)CO)c1 ZINC000639847369 356843506 /nfs/dbraw/zinc/84/35/06/356843506.db2.gz AVIHEARYBXJPHS-OLZOCXBDSA-N 0 3 236.315 0.708 20 0 BCADHN CC(C)(C)OCCN1C[C@H](O)C[C@@]1(C)CO ZINC000639847927 356845026 /nfs/dbraw/zinc/84/50/26/356845026.db2.gz DLNFCOPXRHARBF-PWSUYJOCSA-N 0 3 231.336 0.619 20 0 BCADHN Cc1cncc(CN2C[C@H](O)C[C@@]2(C)CO)c1 ZINC000639848347 356845775 /nfs/dbraw/zinc/84/57/75/356845775.db2.gz GXAJBCKBSFMRCD-OLZOCXBDSA-N 0 3 236.315 0.708 20 0 BCADHN C[C@@]1(CO)C[C@@H](O)CN1CCc1cscn1 ZINC000639848383 356846073 /nfs/dbraw/zinc/84/60/73/356846073.db2.gz HEPBWKUVLCTIKE-MNOVXSKESA-N 0 3 242.344 0.503 20 0 BCADHN C[C@]1(CO)C[C@H](O)CN1CCOC1CCC1 ZINC000639849913 356851021 /nfs/dbraw/zinc/85/10/21/356851021.db2.gz RPPNVTYDMVHLRN-CMPLNLGQSA-N 0 3 229.320 0.373 20 0 BCADHN 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ZINC000359316057 356888279 /nfs/dbraw/zinc/88/82/79/356888279.db2.gz XZJIGSQIOJTNLL-UHFFFAOYSA-N 0 3 234.307 0.869 20 0 BCADHN C[C@]1(CO)C[C@@H](O)CN1CCOCC(F)F ZINC000639851171 356855380 /nfs/dbraw/zinc/85/53/80/356855380.db2.gz ZJYYPFNSUSKIND-PSASIEDQSA-N 0 3 239.262 0.086 20 0 BCADHN Cc1cccnc1CN1C[C@@H](O)C[C@@]1(C)CO ZINC000639851033 356855434 /nfs/dbraw/zinc/85/54/34/356855434.db2.gz YNNQMYPWWXJYOV-AAEUAGOBSA-N 0 3 236.315 0.708 20 0 BCADHN Cc1ccc(CN2C[C@@H](O)C[C@]2(C)CO)nc1 ZINC000639853782 356858180 /nfs/dbraw/zinc/85/81/80/356858180.db2.gz MGZRDCOWANNNFL-QWHCGFSZSA-N 0 3 236.315 0.708 20 0 BCADHN COCC[C@@H](C)N(C)[C@H]1CCN(C)C1=O ZINC000352661837 538725644 /nfs/dbraw/zinc/72/56/44/538725644.db2.gz YYIAJKSYAJATGK-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN CCN1CCC(NC(=O)N[C@H](C)CO)CC1 ZINC000360879410 356912622 /nfs/dbraw/zinc/91/26/22/356912622.db2.gz GIRJGSCZGXKTLK-SECBINFHSA-N 0 3 229.324 0.151 20 0 BCADHN CN1CC[C@@H](C(=O)NCC(=O)C2CC2)C1 ZINC000543105053 325071926 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/nfs/dbraw/zinc/00/14/16/357001416.db2.gz PHFYHVKNMXFTRB-WDEREUQCSA-N 0 3 230.352 0.002 20 0 BCADHN CN1CCN(CC2CC=CC2)[C@H](CO)C1 ZINC000639868771 357009036 /nfs/dbraw/zinc/00/90/36/357009036.db2.gz WLAANDVLTJHZMR-LBPRGKRZSA-N 0 3 210.321 0.561 20 0 BCADHN CC/C=C\CCN1CCN(C)C[C@H]1CO ZINC000639869335 357015155 /nfs/dbraw/zinc/01/51/55/357015155.db2.gz BCZHDLIGBBCXTJ-RXNFCKPNSA-N 0 3 212.337 0.951 20 0 BCADHN C[C@@H]1CCNC[C@@H]1NS(=O)(=O)CCCF ZINC000193402205 357017363 /nfs/dbraw/zinc/01/73/63/357017363.db2.gz SUKFPDVFHBLMRJ-BDAKNGLRSA-N 0 3 238.328 0.263 20 0 BCADHN CC(C(=O)N(C)C(C)(C)C)S(C)(=O)=O ZINC000582361525 357105819 /nfs/dbraw/zinc/10/58/19/357105819.db2.gz GSSAMLCRGNJDKT-SSDOTTSWSA-N 0 3 221.322 0.676 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCO ZINC000121140504 357079233 /nfs/dbraw/zinc/07/92/33/357079233.db2.gz CAIYRZOVSODIIZ-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@H]1CCCN(C)C1=O ZINC000390002609 357084058 /nfs/dbraw/zinc/08/40/58/357084058.db2.gz UQBNGRNVWZRIIO-GUBZILKMSA-N 0 3 214.309 0.620 20 0 BCADHN COC[C@@H](CCO)NC[C@@](C)(O)C(F)(F)F ZINC000390202155 357085932 /nfs/dbraw/zinc/08/59/32/357085932.db2.gz QXCYUILGERRTJT-HTQZYQBOSA-N 0 3 245.241 0.287 20 0 BCADHN O[C@H]1C[C@@H](CN2CCC[C@@H](n3ccnn3)C2)C1 ZINC000582416920 357139729 /nfs/dbraw/zinc/13/97/29/357139729.db2.gz PAPIKIYWJWKUDD-UTUOFQBUSA-N 0 3 236.319 0.686 20 0 BCADHN CO[C@]1(CNCc2cncnc2)CCOC1 ZINC000156861862 538802470 /nfs/dbraw/zinc/80/24/70/538802470.db2.gz JBCRIMCRWFAGIM-NSHDSACASA-N 0 3 223.276 0.372 20 0 BCADHN CCc1nc(CN[C@H]2C[C@@H](O)C2(C)C)n[nH]1 ZINC000392362321 357147790 /nfs/dbraw/zinc/14/77/90/357147790.db2.gz RVSHNWMLZALSPU-JGVFFNPUSA-N 0 3 224.308 0.616 20 0 BCADHN CCc1nnc(CNC[C@H](C)COC)[nH]1 ZINC000392334527 357148927 /nfs/dbraw/zinc/14/89/27/357148927.db2.gz GBFORSKDOIFKBU-QMMMGPOBSA-N 0 3 212.297 0.739 20 0 BCADHN CCc1nnc(C[NH2+]C[C@H](C)COC)[n-]1 ZINC000392334527 357148933 /nfs/dbraw/zinc/14/89/33/357148933.db2.gz GBFORSKDOIFKBU-QMMMGPOBSA-N 0 3 212.297 0.739 20 0 BCADHN COCCN1CC[C@H](c2nccn2C)C1 ZINC000582434378 357150698 /nfs/dbraw/zinc/15/06/98/357150698.db2.gz SKHFTEPAPLDLKU-JTQLQIEISA-N 0 3 209.293 0.856 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H]1CC(=O)N(CC)C1 ZINC000391548632 357130835 /nfs/dbraw/zinc/13/08/35/357130835.db2.gz GACDOSZPGFDNBU-CABZTGNLSA-N 0 3 241.335 0.241 20 0 BCADHN CC(C)CN(CCN(C)C)C(=O)CN(C)C ZINC000123018431 357203867 /nfs/dbraw/zinc/20/38/67/357203867.db2.gz GZCJYRRMCJELNY-UHFFFAOYSA-N 0 3 229.368 0.594 20 0 BCADHN CN(C)c1ncc(CN2C[C@@H]3C[C@@H]3C2)n1C ZINC000628410734 357216887 /nfs/dbraw/zinc/21/68/87/357216887.db2.gz QTLJSUUXWBYLOL-AOOOYVTPSA-N 0 3 220.320 0.938 20 0 BCADHN NC1(C(=O)NCc2ccc(=O)[nH]c2)CCC1 ZINC000392781281 357230323 /nfs/dbraw/zinc/23/03/23/357230323.db2.gz FJMUVLYUVHPEGO-UHFFFAOYSA-N 0 3 221.260 0.285 20 0 BCADHN O[C@H]1CN(Cc2cccc3c2CCC3)C[C@@H]1O ZINC000628415175 357232711 /nfs/dbraw/zinc/23/27/11/357232711.db2.gz MRRSKQBFXVIXTJ-KBPBESRZSA-N 0 3 233.311 0.713 20 0 BCADHN CO[C@@H](C)[C@@H](C)NCC(C)(C)S(C)(=O)=O ZINC000157138150 538810098 /nfs/dbraw/zinc/81/00/98/538810098.db2.gz CSORVWLJIXJGMO-BDAKNGLRSA-N 0 3 237.365 0.823 20 0 BCADHN CN(CC1(CO)CC1)[C@H]1CCCN(C)C1=O ZINC000582465923 357291848 /nfs/dbraw/zinc/29/18/48/357291848.db2.gz NQNCCCVBJQNYSZ-JTQLQIEISA-N 0 3 226.320 0.312 20 0 BCADHN CCCN1CC[C@@H](NCc2cnnn2C)C1 ZINC000389555051 538822804 /nfs/dbraw/zinc/82/28/04/538822804.db2.gz QYPOFHBTMPCOJW-SNVBAGLBSA-N 0 3 223.324 0.389 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H](N2CCCC2)C1 ZINC000217368405 357260276 /nfs/dbraw/zinc/26/02/76/357260276.db2.gz UMALDAXESRLQII-GHMZBOCLSA-N 0 3 225.336 0.420 20 0 BCADHN CC[C@H](N)C(=O)NCCN1CC=CCC1 ZINC000392877635 357261559 /nfs/dbraw/zinc/26/15/59/357261559.db2.gz MVEFROQSZZVHQU-JTQLQIEISA-N 0 3 211.309 0.102 20 0 BCADHN CSC[C@H](O)CN[C@H]1CC(=O)N(C2CC2)C1 ZINC000582541529 357340236 /nfs/dbraw/zinc/34/02/36/357340236.db2.gz KZTOBLGUDBIIFC-WCBMZHEXSA-N 0 3 244.360 0.063 20 0 BCADHN Cc1cnn([C@H]2CCCN(C(=O)CN)C2)c1 ZINC000168364717 134197517 /nfs/dbraw/zinc/19/75/17/134197517.db2.gz IQLPHVDANCYSAF-JTQLQIEISA-N 0 3 222.292 0.314 20 0 BCADHN CC[C@@H](C)C[C@H](NC(=O)[C@H](N)CC)C(=O)OC ZINC000582667280 357358630 /nfs/dbraw/zinc/35/86/30/357358630.db2.gz KVENNTIKHUAUGG-BBBLOLIVSA-N 0 3 244.335 0.818 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NC1(C2CC2)CC1 ZINC000582666752 357358643 /nfs/dbraw/zinc/35/86/43/357358643.db2.gz ANIRNWPFHSRMLN-SECBINFHSA-N 0 3 240.303 0.326 20 0 BCADHN C[C@H](Cc1cnc[nH]1)C(=O)NCCN1CCC1 ZINC000582674314 357361636 /nfs/dbraw/zinc/36/16/36/357361636.db2.gz JNPDHMCSSZKVFW-SNVBAGLBSA-N 0 3 236.319 0.410 20 0 BCADHN CC[C@@H]1C[C@@H](NC(=O)CNC2CC2)CCO1 ZINC000582780238 357390827 /nfs/dbraw/zinc/39/08/27/357390827.db2.gz IXZLQGBPYKKHOI-WDEREUQCSA-N 0 3 226.320 0.812 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@H](C)NC1CC1 ZINC000395071501 357410803 /nfs/dbraw/zinc/41/08/03/357410803.db2.gz MOGTYJKVIRIQIZ-VHSXEESVSA-N 0 3 228.336 0.652 20 0 BCADHN CC[C@@H](N)C(=O)N(C)[C@H](C)C(=O)NC(C)(C)C ZINC000582846640 357418293 /nfs/dbraw/zinc/41/82/93/357418293.db2.gz KVTOKLMUWOOBRU-RKDXNWHRSA-N 0 3 243.351 0.485 20 0 BCADHN C[C@@H]1CCCCN1CC(=O)N1CCN(C)CC1 ZINC000131573891 325165543 /nfs/dbraw/zinc/16/55/43/325165543.db2.gz ZNPBTULLWLXHEL-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN C[C@@H](CCS(C)(=O)=O)N[C@H]1COC(C)(C)C1 ZINC000582857598 357421623 /nfs/dbraw/zinc/42/16/23/357421623.db2.gz WCWFNKKIUZWOCW-VHSXEESVSA-N 0 3 249.376 0.967 20 0 BCADHN CC1(C)CN(CCCN2CCCC2=O)C[C@@H]1O ZINC000582885327 357430543 /nfs/dbraw/zinc/43/05/43/357430543.db2.gz JQKUDJWTZYKMIQ-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)C1CC(O)C1 ZINC000582963507 357440458 /nfs/dbraw/zinc/44/04/58/357440458.db2.gz TVEKWISKOVQXPJ-WFRXLMHJSA-N 0 3 212.293 0.109 20 0 BCADHN Cn1nccc1CCN1CCN(C)C(C)(C)C1 ZINC000583151789 357495856 /nfs/dbraw/zinc/49/58/56/357495856.db2.gz ICQHERQNIBWQIB-UHFFFAOYSA-N 0 3 236.363 0.989 20 0 BCADHN CO[C@@H](CN1CCC[C@]12CCNC2=O)C1CC1 ZINC000583152564 357496139 /nfs/dbraw/zinc/49/61/39/357496139.db2.gz XXPBAILGKVABLL-WCQYABFASA-N 0 3 238.331 0.766 20 0 BCADHN C[C@H]1CCN(CC(=O)NC[C@H](CO)C2CC2)C1 ZINC000583154004 357496974 /nfs/dbraw/zinc/49/69/74/357496974.db2.gz SAUFGVNPHFCKOY-CMPLNLGQSA-N 0 3 240.347 0.463 20 0 BCADHN CCOC[C@H](O)CN[C@@H]1CCCc2c[nH]nc21 ZINC000583139086 357499339 /nfs/dbraw/zinc/49/93/39/357499339.db2.gz VLOWIHBZUHAXBV-GHMZBOCLSA-N 0 3 239.319 0.774 20 0 BCADHN CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1O ZINC000582974241 357449488 /nfs/dbraw/zinc/44/94/88/357449488.db2.gz WJJOHQQEWXVUDD-QJPTWQEYSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1C[C@H](F)CN1)C[C@H](C)O ZINC000188611180 357567971 /nfs/dbraw/zinc/56/79/71/357567971.db2.gz CXDQZQNIPIUSKY-XFWSIPNHSA-N 0 3 232.299 0.210 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188636654 357569606 /nfs/dbraw/zinc/56/96/06/357569606.db2.gz JFPMFKASBWWFTC-GMTAPVOTSA-N 0 3 241.335 0.415 20 0 BCADHN Cn1cc(CC(=O)N2CCN3CCC2CC3)cn1 ZINC000188641222 357570420 /nfs/dbraw/zinc/57/04/20/357570420.db2.gz IMDNCJHCNRDRAL-UHFFFAOYSA-N 0 3 248.330 0.269 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1CC[C@H](OC)C1 ZINC000188783612 357573722 /nfs/dbraw/zinc/57/37/22/357573722.db2.gz OWEFFYOXKJRZFS-DCAQKATOSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000633067685 357518698 /nfs/dbraw/zinc/51/86/98/357518698.db2.gz QNFCNRAJXZZSPG-ZRUFSTJUSA-N 0 3 228.336 0.866 20 0 BCADHN CCOC(=O)COCCN1CCC[C@H](OC)C1 ZINC000230267876 357520289 /nfs/dbraw/zinc/52/02/89/357520289.db2.gz WAXOWYPKPLIXIW-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN COC(C)(C)CCN1C[C@@H](C)O[C@@H](CO)C1 ZINC000230417873 357524117 /nfs/dbraw/zinc/52/41/17/357524117.db2.gz RGDRXSKXPQVYSE-GHMZBOCLSA-N 0 3 231.336 0.883 20 0 BCADHN CN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188325541 357528030 /nfs/dbraw/zinc/52/80/30/357528030.db2.gz CMTGMVKCGWRGOR-LPEHRKFASA-N 0 3 230.283 0.324 20 0 BCADHN C[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)[C@H]1CCCO1 ZINC000188380912 357528866 /nfs/dbraw/zinc/52/88/66/357528866.db2.gz OFWPXXAAMZYEAF-UTINFBMNSA-N 0 3 230.283 0.370 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@@](C)(O)CC1 ZINC000230376084 357531047 /nfs/dbraw/zinc/53/10/47/357531047.db2.gz UTGJESXFRWKOBW-ZWNOBZJWSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@]1(O)CCCN(CC(=O)NC2CC2)CC1 ZINC000230378127 357532408 /nfs/dbraw/zinc/53/24/08/357532408.db2.gz QXGKPOUHGNCZED-LBPRGKRZSA-N 0 3 226.320 0.502 20 0 BCADHN Cc1cnccc1CCN1C[C@H](O)[C@@H](CO)C1 ZINC000397526758 357537989 /nfs/dbraw/zinc/53/79/89/357537989.db2.gz IZVWGHATZCCEMT-OLZOCXBDSA-N 0 3 236.315 0.218 20 0 BCADHN Cc1ncccc1NC(=O)[C@@H]1C[C@H](O)CN1 ZINC000085727841 357545397 /nfs/dbraw/zinc/54/53/97/357545397.db2.gz YNYGJZQSAHRFPS-WPRPVWTQSA-N 0 3 221.260 0.051 20 0 BCADHN CC(C)CCOCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188409861 357552028 /nfs/dbraw/zinc/55/20/28/357552028.db2.gz NSTAHHFBUAILRV-WDEREUQCSA-N 0 3 246.326 0.865 20 0 BCADHN CCOCCN(CC)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188452952 357554534 /nfs/dbraw/zinc/55/45/34/357554534.db2.gz NOEGMHFDJPWPJT-VHSXEESVSA-N 0 3 232.299 0.571 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188553339 357561822 /nfs/dbraw/zinc/56/18/22/357561822.db2.gz FJZGWEHKECTZCY-RGOKHQFPSA-N 0 3 232.299 0.210 20 0 BCADHN COC(=O)C(C)(C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188577008 357562655 /nfs/dbraw/zinc/56/26/55/357562655.db2.gz CLARFOLYNCHMBF-JGVFFNPUSA-N 0 3 246.282 0.002 20 0 BCADHN O=C([C@H]1C[C@H](F)CN1)N1C[C@H]2CCC[C@@H]2C1 ZINC000188572666 357563056 /nfs/dbraw/zinc/56/30/56/357563056.db2.gz SMOMHLJHMMOUOP-CHWFTXMASA-N 0 3 226.295 0.945 20 0 BCADHN CN(CCCCCO)[C@@H]1CCCCNC1=O ZINC000231730373 357622982 /nfs/dbraw/zinc/62/29/82/357622982.db2.gz RUOWOBKTFWDGQR-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN O=C1COc2ccc(CN[C@@H]3CCOC3)cc2N1 ZINC000231644107 357626420 /nfs/dbraw/zinc/62/64/20/357626420.db2.gz ZVVMJOQDBSQRLK-SNVBAGLBSA-N 0 3 248.282 0.896 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H](C)C(=O)N(C)CC ZINC000231854931 357627015 /nfs/dbraw/zinc/62/70/15/357627015.db2.gz UKIJALPYGJOMKE-JOYOIKCWSA-N 0 3 243.351 0.487 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC(=O)[C@H](N)CC(C)C ZINC000231854502 357627867 /nfs/dbraw/zinc/62/78/67/357627867.db2.gz NHYAPMKRFUEZSG-VHSXEESVSA-N 0 3 243.351 0.343 20 0 BCADHN CN(C)C(=O)CCNCc1cncc(F)c1 ZINC000230939918 357582275 /nfs/dbraw/zinc/58/22/75/357582275.db2.gz OKUWGWOXLLOKOC-UHFFFAOYSA-N 0 3 225.267 0.789 20 0 BCADHN COC(C)(C)C(=O)N(C)C[C@H]1CCCN1C ZINC000230996501 357587134 /nfs/dbraw/zinc/58/71/34/357587134.db2.gz SQISOFPEUKNZOC-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN O=C(NC[C@@H]1CCC[C@H](O)C1)[C@H]1C[C@H](F)CN1 ZINC000188917059 357590584 /nfs/dbraw/zinc/59/05/84/357590584.db2.gz VUZYIDQMJXZRAB-VPOLOUISSA-N 0 3 244.310 0.354 20 0 BCADHN CC(C)N(C)CCNS(=O)(=O)c1ccco1 ZINC000188873179 357593787 /nfs/dbraw/zinc/59/37/87/357593787.db2.gz RNAAQCKMSQMFQM-UHFFFAOYSA-N 0 3 246.332 0.898 20 0 BCADHN CN(C)CCOCCNC(=O)NC1CC1 ZINC000231206751 357599935 /nfs/dbraw/zinc/59/99/35/357599935.db2.gz MIFGECPZPLARRS-UHFFFAOYSA-N 0 3 215.297 0.026 20 0 BCADHN CCOC[C@H](O)CNC(C)(C)c1cnn(C)c1 ZINC000545292278 325207999 /nfs/dbraw/zinc/20/79/99/325207999.db2.gz FPZFQVCBEWQCEA-LLVKDONJSA-N 0 3 241.335 0.642 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CCC[C@H](O)C1 ZINC000334404644 535362669 /nfs/dbraw/zinc/36/26/69/535362669.db2.gz IXJFPBCALBQBRY-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN CC(C)C(=O)NCCNC(=O)CN(C)C(C)C ZINC000063465735 357659956 /nfs/dbraw/zinc/65/99/56/357659956.db2.gz CPTRWVDOSSPTQY-UHFFFAOYSA-N 0 3 243.351 0.215 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCCC2)[C@@H]1CO ZINC000189730720 357665899 /nfs/dbraw/zinc/66/58/99/357665899.db2.gz XNSNOQXEHIXGPO-GHMZBOCLSA-N 0 3 226.320 0.312 20 0 BCADHN C=Cn1cc(CNC[C@H]2COCCO2)cn1 ZINC000232571150 357672339 /nfs/dbraw/zinc/67/23/39/357672339.db2.gz GQBLKSVZJXTHIM-NSHDSACASA-N 0 3 223.276 0.489 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@H](C)CC(=O)N(C)C ZINC000189397271 357635751 /nfs/dbraw/zinc/63/57/51/357635751.db2.gz AZMXWNAEHDPDEM-ZJUUUORDSA-N 0 3 243.351 0.310 20 0 BCADHN CCC[C@H](N)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000232014891 357638591 /nfs/dbraw/zinc/63/85/91/357638591.db2.gz XKMITCUNJUHGEZ-BBBLOLIVSA-N 0 3 241.335 0.226 20 0 BCADHN CCCCCNC(=O)CN1C[C@@H](C)[C@H](CO)C1 ZINC000190855156 357728083 /nfs/dbraw/zinc/72/80/83/357728083.db2.gz SWRCGKBVHDXIGE-NEPJUHHUSA-N 0 3 242.363 0.853 20 0 BCADHN CCCN(C)CC(=O)NC(=O)NCC(C)C ZINC000063762088 357716684 /nfs/dbraw/zinc/71/66/84/357716684.db2.gz YXAUIOFYKDZUJD-UHFFFAOYSA-N 0 3 229.324 0.810 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1C[C@H](OC)C1(C)C ZINC000233446069 357723159 /nfs/dbraw/zinc/72/31/59/357723159.db2.gz JIFBDLFPBLRVJE-ZJUUUORDSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H]1CCNC(=O)[C@H]1NCCOCC1CCC1 ZINC000583253733 357723670 /nfs/dbraw/zinc/72/36/70/357723670.db2.gz MMLUWJJUOQBNSW-JQWIXIFHSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190832779 357726466 /nfs/dbraw/zinc/72/64/66/357726466.db2.gz SBQHLOPIAYBHOV-BBBLOLIVSA-N 0 3 214.309 0.023 20 0 BCADHN CSC1(C(=O)NC[C@@](C)(O)CN(C)C)CC1 ZINC000190847453 357726908 /nfs/dbraw/zinc/72/69/08/357726908.db2.gz ULPQFGGQXORBJY-SNVBAGLBSA-N 0 3 246.376 0.311 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190839233 357726957 /nfs/dbraw/zinc/72/69/57/357726957.db2.gz GHDYLQHLDOBKKT-WOPDTQHZSA-N 0 3 242.363 0.802 20 0 BCADHN CCCC[C@@H](CC)CNC(=O)C(=O)NCCN ZINC000233019991 357691685 /nfs/dbraw/zinc/69/16/85/357691685.db2.gz ZDLQWTWBNSNVJL-SNVBAGLBSA-N 0 3 243.351 0.394 20 0 BCADHN CCN1CCCN(CCCCOC)CC1=O ZINC000190206141 357692679 /nfs/dbraw/zinc/69/26/79/357692679.db2.gz GAMQYOKDGCADOH-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)N1CCOCC1 ZINC000085963584 357705716 /nfs/dbraw/zinc/70/57/16/357705716.db2.gz CYAYZNDRLUYECC-VHSXEESVSA-N 0 3 227.308 0.121 20 0 BCADHN CCCCN1CCCN(CCOC)C(=O)C1 ZINC000190758043 357731057 /nfs/dbraw/zinc/73/10/57/357731057.db2.gz HTEJYORLDRWNPU-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN Cc1cnn(CCN2CCNC[C@@H]2C(F)F)c1 ZINC000583263171 357738954 /nfs/dbraw/zinc/73/89/54/357738954.db2.gz BGQDDETZXDZESC-SNVBAGLBSA-N 0 3 244.289 0.730 20 0 BCADHN CN1CCCN([C@@H]2CCCC[C@@H]2O)CC1=O ZINC000191118012 357752039 /nfs/dbraw/zinc/75/20/39/357752039.db2.gz PEQNBLQFAWAYBF-MNOVXSKESA-N 0 3 226.320 0.454 20 0 BCADHN CCN(CC)CCN1CCCN(C)C(=O)C1 ZINC000191128072 357753153 /nfs/dbraw/zinc/75/31/53/357753153.db2.gz NCDDDXJQJCJGHD-UHFFFAOYSA-N 0 3 227.352 0.492 20 0 BCADHN Cc1ncc(C(=O)N2CCNC[C@@H]2C(F)F)[nH]1 ZINC000583264367 357756306 /nfs/dbraw/zinc/75/63/06/357756306.db2.gz JXZXMIBIGCLSST-MRVPVSSYSA-N 0 3 244.245 0.397 20 0 BCADHN CO[C@@H](C)CNCc1cccc(C(N)=O)c1 ZINC000191208468 357758295 /nfs/dbraw/zinc/75/82/95/357758295.db2.gz WKAHGCQWXYENFT-VIFPVBQESA-N 0 3 222.288 0.910 20 0 BCADHN C[C@@H]1CN(CCN2CCC[C@H](CO)C2)CCO1 ZINC000191407709 357769341 /nfs/dbraw/zinc/76/93/41/357769341.db2.gz FDYJVGUZEXYUHB-OLZOCXBDSA-N 0 3 242.363 0.411 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)[C@@H](C)OC)N(C)C ZINC000191456799 357771554 /nfs/dbraw/zinc/77/15/54/357771554.db2.gz PWGPBKIVXWWYND-IVZWLZJFSA-N 0 3 216.325 0.866 20 0 BCADHN CN[C@H](C)C(=O)N[C@H](C)C[C@H]1CCCO1 ZINC000583273658 357792695 /nfs/dbraw/zinc/79/26/95/357792695.db2.gz XDAYLSQWTJEFIQ-OPRDCNLKSA-N 0 3 214.309 0.668 20 0 BCADHN NC(=O)NC(=O)CCN1C2CCCC1CCC2 ZINC000610369972 357812275 /nfs/dbraw/zinc/81/22/75/357812275.db2.gz HVTFWBOYWMUYNX-UHFFFAOYSA-N 0 3 239.319 0.978 20 0 BCADHN COCCCNC(=O)[C@@H]1NCCCC1(C)C ZINC000234607515 357820808 /nfs/dbraw/zinc/82/08/08/357820808.db2.gz TVDNXKQBFRTCBY-JTQLQIEISA-N 0 3 228.336 0.917 20 0 BCADHN COCCOCC(=O)N(C)C[C@@H]1CCCN1C ZINC000234656004 357821567 /nfs/dbraw/zinc/82/15/67/357821567.db2.gz LJVDFAKNCPGMIR-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN CC[C@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC000055293276 363589182 /nfs/dbraw/zinc/58/91/82/363589182.db2.gz MGCGTLDZRODWDP-LBPRGKRZSA-N 0 3 241.379 0.786 20 0 BCADHN C[C@@H](O)CN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000192972148 357861894 /nfs/dbraw/zinc/86/18/94/357861894.db2.gz LJNUVRDMNAMYFZ-NEPJUHHUSA-N 0 3 242.363 0.552 20 0 BCADHN CC(C)[C@@H](CO)NCC(=O)N(C)C(C)C ZINC000086124680 357855025 /nfs/dbraw/zinc/85/50/25/357855025.db2.gz WPWRKLPDDJIKII-SNVBAGLBSA-N 0 3 216.325 0.460 20 0 BCADHN CC(C)[C@@H](C)NC(=O)CN[C@H](CO)C(C)C ZINC000086124344 357855240 /nfs/dbraw/zinc/85/52/40/357855240.db2.gz PYYNAPLPIJHZQL-GHMZBOCLSA-N 0 3 230.352 0.754 20 0 BCADHN CC(C)NC(=O)CN[C@H](CO)C(C)C ZINC000086124097 357855253 /nfs/dbraw/zinc/85/52/53/357855253.db2.gz RDTOYNNRHAXUPT-SECBINFHSA-N 0 3 202.298 0.118 20 0 BCADHN C[C@@H](CNC(=O)CCc1cnn(C)c1)N(C)C ZINC000055301639 363590163 /nfs/dbraw/zinc/59/01/63/363590163.db2.gz ROKAYNXENACOLM-JTQLQIEISA-N 0 3 238.335 0.419 20 0 BCADHN CC(C)(O)CC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000525916625 259473453 /nfs/dbraw/zinc/47/34/53/259473453.db2.gz BFVHJOMYGXSIGF-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN COC[C@H]1CCCN(C(=O)C2(N)CCC2)C1 ZINC000234750738 357834721 /nfs/dbraw/zinc/83/47/21/357834721.db2.gz JNCDZMMGMDSLNL-JTQLQIEISA-N 0 3 226.320 0.753 20 0 BCADHN CCc1cc(NCc2nnn(C)n2)ccn1 ZINC000398109419 357837728 /nfs/dbraw/zinc/83/77/28/357837728.db2.gz WTBOAPIRRJSRDB-UHFFFAOYSA-N 0 3 218.264 0.202 20 0 BCADHN C[C@H](CNC(=O)CCc1cnn(C)c1)N(C)C ZINC000055301641 363590545 /nfs/dbraw/zinc/59/05/45/363590545.db2.gz ROKAYNXENACOLM-SNVBAGLBSA-N 0 3 238.335 0.419 20 0 BCADHN C[C@H]1COCCN1CCN1CCCO[C@@H](C)C1 ZINC000192708492 357848446 /nfs/dbraw/zinc/84/84/46/357848446.db2.gz IBYCNEGLYCRQNR-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN CCOC(=O)N1CCCN(C[C@@H](C)O)CC1 ZINC000192704470 357848870 /nfs/dbraw/zinc/84/88/70/357848870.db2.gz GMFTYFPKGBSUMV-SNVBAGLBSA-N 0 3 230.308 0.531 20 0 BCADHN C[C@H](CNC(=O)c1cccc(=O)[nH]1)N(C)C ZINC000235462399 357870350 /nfs/dbraw/zinc/87/03/50/357870350.db2.gz QOXCIXUJTRXAJR-MRVPVSSYSA-N 0 3 223.276 0.055 20 0 BCADHN CCCNC(=O)[C@H](C)N(CC)CC(C)(C)O ZINC000086274837 357880106 /nfs/dbraw/zinc/88/01/06/357880106.db2.gz YATRMTIPBYQIJE-JTQLQIEISA-N 0 3 230.352 0.994 20 0 BCADHN C[C@H]1OCC[C@@]1(C)NCC(=O)N1CCCC1 ZINC000235594362 357881115 /nfs/dbraw/zinc/88/11/15/357881115.db2.gz OJBRGDWBXMDLIN-ZYHUDNBSSA-N 0 3 226.320 0.766 20 0 BCADHN CN(C[C@H]1CCCOC1)C(=O)[C@H](N)C1CCC1 ZINC000398976681 357892436 /nfs/dbraw/zinc/89/24/36/357892436.db2.gz BTMJJMKCOJWMEN-ZYHUDNBSSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)C[C@@H]1CCOC1 ZINC000399030264 357893359 /nfs/dbraw/zinc/89/33/59/357893359.db2.gz PSRBZQJEDJMWPP-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000399013310 357893760 /nfs/dbraw/zinc/89/37/60/357893760.db2.gz ZQDILRRRZVCDLO-MWLCHTKSSA-N 0 3 226.320 0.609 20 0 BCADHN COCCNCC(=O)NCCc1nccs1 ZINC000086158274 357863331 /nfs/dbraw/zinc/86/33/31/357863331.db2.gz MVJKVBDKLVAIOI-UHFFFAOYSA-N 0 3 243.332 0.038 20 0 BCADHN C[C@H](O)CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000192981870 357863463 /nfs/dbraw/zinc/86/34/63/357863463.db2.gz VKIOFXLSBBSBJW-WCBMZHEXSA-N 0 3 212.293 0.110 20 0 BCADHN C[C@H]1OCC[C@]1(C)NCC(=O)N(C)C1CC1 ZINC000235638044 357926036 /nfs/dbraw/zinc/92/60/36/357926036.db2.gz PJDZHWLVJBIHTF-SKDRFNHKSA-N 0 3 226.320 0.764 20 0 BCADHN N[C@H](C(=O)NCCc1cnccn1)C1CCC1 ZINC000399126648 357896636 /nfs/dbraw/zinc/89/66/36/357896636.db2.gz SQBAYTWMLGVLRL-NSHDSACASA-N 0 3 234.303 0.263 20 0 BCADHN CCc1cnc(CNC(=O)[C@H](N)C2CCC2)o1 ZINC000399189018 357897408 /nfs/dbraw/zinc/89/74/08/357897408.db2.gz OZZUHPZLKXWDQV-LLVKDONJSA-N 0 3 237.303 0.981 20 0 BCADHN CC[C@H](O)CCCNC(=O)[C@@H](N)C1CCC1 ZINC000399162272 357897870 /nfs/dbraw/zinc/89/78/70/357897870.db2.gz CUMOHDFNGZKAIO-QWRGUYRKSA-N 0 3 228.336 0.781 20 0 BCADHN CN[C@@H](C)C(=O)N(C)C[C@H]1CCOC1 ZINC000399244300 357899485 /nfs/dbraw/zinc/89/94/85/357899485.db2.gz JOOOQBXDOLOQMV-DTWKUNHWSA-N 0 3 200.282 0.089 20 0 BCADHN CC1(CNC(=O)[C@H](N)C2CCC2)COC1 ZINC000399250391 357899648 /nfs/dbraw/zinc/89/96/48/357899648.db2.gz XNXTVCNOHYCXHL-SECBINFHSA-N 0 3 212.293 0.267 20 0 BCADHN C[C@H](NC(=O)CN1CC[C@@H](C)C1)c1cn[nH]c1 ZINC000584419474 357917774 /nfs/dbraw/zinc/91/77/74/357917774.db2.gz HJYALRMMNNDEDV-ZJUUUORDSA-N 0 3 236.319 0.929 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000618704855 357919227 /nfs/dbraw/zinc/91/92/27/357919227.db2.gz CKUXORPUEKGGFB-AAEUAGOBSA-N 0 3 240.347 0.823 20 0 BCADHN CSCCNC(=O)C1CCN(C)CC1 ZINC000610420866 357921226 /nfs/dbraw/zinc/92/12/26/357921226.db2.gz JXCRCPHHUQWAFA-UHFFFAOYSA-N 0 3 216.350 0.807 20 0 BCADHN CCCNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000102803582 357921845 /nfs/dbraw/zinc/92/18/45/357921845.db2.gz ZPMSFVWYIXWLFW-UHFFFAOYSA-N 0 3 239.323 0.976 20 0 BCADHN CC(=O)NCC(=O)Nc1ccc2c(c1)CNC2 ZINC000386399139 357923066 /nfs/dbraw/zinc/92/30/66/357923066.db2.gz DDXPANAOOANYIS-UHFFFAOYSA-N 0 3 233.271 0.364 20 0 BCADHN C[C@@H](CN[C@@H](CO)CC1CCC1)S(C)(=O)=O ZINC000583752960 357935114 /nfs/dbraw/zinc/93/51/14/357935114.db2.gz IWQKMAIPFPZSRL-GXSJLCMTSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@@H]1CCN(CCN2CCOCC2)[C@H](CO)C1 ZINC000639935410 357935771 /nfs/dbraw/zinc/93/57/71/357935771.db2.gz AFBSGHJIGHZFIS-OLZOCXBDSA-N 0 3 242.363 0.411 20 0 BCADHN CCOC1CC(CN[C@]2(C(N)=O)CCOC2)C1 ZINC000583761347 357937059 /nfs/dbraw/zinc/93/70/59/357937059.db2.gz OIUYNIIDWNLUMG-RTYFJBAXSA-N 0 3 242.319 0.036 20 0 BCADHN C[C@H](CNC(=O)c1cnnn1C)N1CCCC1 ZINC000583786877 357942633 /nfs/dbraw/zinc/94/26/33/357942633.db2.gz HGMJNASDIABPGH-SECBINFHSA-N 0 3 237.307 0.029 20 0 BCADHN CC(C)NC(=O)NCCN[C@@H](C)c1cn[nH]c1 ZINC000583810112 357955453 /nfs/dbraw/zinc/95/54/53/357955453.db2.gz WDTYIAKYLSYAFF-VIFPVBQESA-N 0 3 239.323 0.768 20 0 BCADHN COC[C@@H]1CN(C(=O)CNC2CC2)C[C@@H](C)O1 ZINC000583810730 357955503 /nfs/dbraw/zinc/95/55/03/357955503.db2.gz FKIBTUFYPOKIJL-KOLCDFICSA-N 0 3 242.319 0.001 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1CCCC[C@@H]1O ZINC000583810517 357955621 /nfs/dbraw/zinc/95/56/21/357955621.db2.gz SSWYJYPFTJNKBY-CHWFTXMASA-N 0 3 215.293 0.293 20 0 BCADHN Cc1ccc(CNCCC(=O)NC(N)=O)cc1 ZINC000583824489 357959125 /nfs/dbraw/zinc/95/91/25/357959125.db2.gz QJFBTJKBIQMOON-UHFFFAOYSA-N 0 3 235.287 0.670 20 0 BCADHN COC[C@](C)(CO)NCCOC(C)(C)C ZINC000639954480 357972032 /nfs/dbraw/zinc/97/20/32/357972032.db2.gz CEBCPDGOEPWICX-NSHDSACASA-N 0 3 219.325 0.789 20 0 BCADHN COC[C@@](C)(CO)NC[C@H](O)COCC(C)C ZINC000639953527 357975760 /nfs/dbraw/zinc/97/57/60/357975760.db2.gz YCEURRABYSTKEP-NWDGAFQWSA-N 0 3 249.351 0.007 20 0 BCADHN COC[C@](C)(CO)NCCOC(C)C ZINC000639953696 357975927 /nfs/dbraw/zinc/97/59/27/357975927.db2.gz ZSCYTRZLRMOFKS-JTQLQIEISA-N 0 3 205.298 0.398 20 0 BCADHN COC[C@@](C)(CO)NC[C@H](O)CC(F)(F)F ZINC000639956348 357978986 /nfs/dbraw/zinc/97/89/86/357978986.db2.gz FVVJMOYXOPSCKH-HTQZYQBOSA-N 0 3 245.241 0.287 20 0 BCADHN COC[C@@](C)(CO)NC[C@@H](O)C1CCCCC1 ZINC000639956948 357980955 /nfs/dbraw/zinc/98/09/55/357980955.db2.gz HCASLVDBJMBBOA-CHWSQXEVSA-N 0 3 245.363 0.915 20 0 BCADHN COC[C@](C)(CO)NC[C@H]1CC[C@H](C)O1 ZINC000639957162 357981036 /nfs/dbraw/zinc/98/10/36/357981036.db2.gz KIWXYGDGFLLYBQ-AXFHLTTASA-N 0 3 217.309 0.541 20 0 BCADHN COC[C@@](C)(CO)NC[C@H](OC)C1CCC1 ZINC000639957407 357981666 /nfs/dbraw/zinc/98/16/66/357981666.db2.gz NXSSRRZTTBIVOA-NWDGAFQWSA-N 0 3 231.336 0.789 20 0 BCADHN COC[C@](C)(CO)NCCc1c(C)noc1C ZINC000639957612 357981930 /nfs/dbraw/zinc/98/19/30/357981930.db2.gz QNTJXLZBZJRLBH-LBPRGKRZSA-N 0 3 242.319 0.821 20 0 BCADHN COC[C@@](C)(CO)NCCn1cc(Cl)cn1 ZINC000639958806 357983513 /nfs/dbraw/zinc/98/35/13/357983513.db2.gz VJZUBCCHLCKJRA-SNVBAGLBSA-N 0 3 247.726 0.524 20 0 BCADHN COC[C@](C)(CO)NCCO[C@@H]1CC1(F)F ZINC000639958514 357983975 /nfs/dbraw/zinc/98/39/75/357983975.db2.gz ULKWHERMMLACFW-BDAKNGLRSA-N 0 3 239.262 0.398 20 0 BCADHN CC[C@@H](N)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000584470845 357989631 /nfs/dbraw/zinc/98/96/31/357989631.db2.gz MDRRNVSNOAGFEW-BBBLOLIVSA-N 0 3 214.309 0.343 20 0 BCADHN CC[C@@H](COC)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000628453752 358009831 /nfs/dbraw/zinc/00/98/31/358009831.db2.gz ULSYHQYHUCWVBK-KXUCPTDWSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@@H](CNS(C)(=O)=O)N1CCCC1 ZINC000036077166 358014579 /nfs/dbraw/zinc/01/45/79/358014579.db2.gz XKCZILSUEVAKND-QMMMGPOBSA-N 0 3 206.311 0.020 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCCO1)N1CCCC1 ZINC000036076935 358014905 /nfs/dbraw/zinc/01/49/05/358014905.db2.gz OIRVEBOSPJGTKC-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H](CNC(=O)N1CCOCC1)N1CCCC1 ZINC000036077139 358015038 /nfs/dbraw/zinc/01/50/38/358015038.db2.gz XBYPFLCLKNCSAI-LLVKDONJSA-N 0 3 241.335 0.513 20 0 BCADHN CO[C@@H]1CN(CCOCC2CC2)[C@](C)(CO)C1 ZINC000639999623 358036039 /nfs/dbraw/zinc/03/60/39/358036039.db2.gz JWIXWVRVKSYHGE-STQMWFEESA-N 0 3 243.347 0.885 20 0 BCADHN CO[C@H]1CN(CCc2cn[nH]c2)[C@@](C)(CO)C1 ZINC000640001823 358037254 /nfs/dbraw/zinc/03/72/54/358037254.db2.gz DGDDOXDRWCQJKZ-VXGBXAGGSA-N 0 3 239.319 0.424 20 0 BCADHN COC[C@@H](C)N1CCC[C@H](OCCO)C1 ZINC000075745397 325309939 /nfs/dbraw/zinc/30/99/39/325309939.db2.gz LOGARGBUURWGNA-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN Cc1nnc(N2CCN(C[C@@H]3C[C@@H]3C)CC2)n1C ZINC000639975545 358032396 /nfs/dbraw/zinc/03/23/96/358032396.db2.gz FYMHUNLQLBLVOP-JQWIXIFHSA-N 0 3 249.362 0.902 20 0 BCADHN CC[C@@H](N)C(=O)N1CCOC[C@@H]1CC ZINC000036871908 358055853 /nfs/dbraw/zinc/05/58/53/358055853.db2.gz LRANHCPQWUMYMR-DTWKUNHWSA-N 0 3 200.282 0.361 20 0 BCADHN CC[C@@H](O)CCNC[C@@H](C)S(C)(=O)=O ZINC000584530112 358041880 /nfs/dbraw/zinc/04/18/80/358041880.db2.gz LZHMKYFIFPBYDB-RKDXNWHRSA-N 0 3 223.338 0.170 20 0 BCADHN CC[C@H](O)CCNC[C@@H](C)S(C)(=O)=O ZINC000584530109 358041887 /nfs/dbraw/zinc/04/18/87/358041887.db2.gz LZHMKYFIFPBYDB-BDAKNGLRSA-N 0 3 223.338 0.170 20 0 BCADHN CN1CC[C@]2(CCN(c3nccc(CO)n3)C2)C1 ZINC000583864831 358043282 /nfs/dbraw/zinc/04/32/82/358043282.db2.gz CXRXIOPSQXCJKP-ZDUSSCGKSA-N 0 3 248.330 0.501 20 0 BCADHN COc1ccc(CNCCC(N)=O)cc1O ZINC000036747063 358047460 /nfs/dbraw/zinc/04/74/60/358047460.db2.gz KTYUSEUHTMXFBB-UHFFFAOYSA-N 0 3 224.260 0.366 20 0 BCADHN CC[C@H]1CN(C(=O)CNC2CC2)CCO1 ZINC000037476991 358071094 /nfs/dbraw/zinc/07/10/94/358071094.db2.gz CCUCCXVOCWNRRU-JTQLQIEISA-N 0 3 212.293 0.376 20 0 BCADHN CO[C@H]1CN(CCn2cccn2)[C@](C)(CO)C1 ZINC000640007341 358073595 /nfs/dbraw/zinc/07/35/95/358073595.db2.gz DEHNYLKJHFBEFG-NEPJUHHUSA-N 0 3 239.319 0.355 20 0 BCADHN O=C(CNC1CC1)NCCc1cccnc1 ZINC000037718420 358092746 /nfs/dbraw/zinc/09/27/46/358092746.db2.gz GDOCEXFMIFIKAX-UHFFFAOYSA-N 0 3 219.288 0.492 20 0 BCADHN Cc1c([C@H](C)NC(=O)CNC2CC2)cnn1C ZINC000037609226 358083223 /nfs/dbraw/zinc/08/32/23/358083223.db2.gz XIKWDQYFCIKZMW-QMMMGPOBSA-N 0 3 236.319 0.658 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000037621094 358084094 /nfs/dbraw/zinc/08/40/94/358084094.db2.gz GKHRCRVAXUOGPD-SKDRFNHKSA-N 0 3 241.335 0.228 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CCC[C@H](CCO)C1 ZINC000051917013 358100540 /nfs/dbraw/zinc/10/05/40/358100540.db2.gz VERHKZOZXFRGGW-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000547296274 325335855 /nfs/dbraw/zinc/33/58/55/325335855.db2.gz RJDSXJFDPXWCCR-CKYFFXLPSA-N 0 3 241.335 0.008 20 0 BCADHN CC(C)[C@H](O)CN1CCSC[C@H]1CO ZINC000388212146 358106762 /nfs/dbraw/zinc/10/67/62/358106762.db2.gz VJVMTNDDJWCGBM-NXEZZACHSA-N 0 3 219.350 0.413 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@@H](O)C(C)(C)C1 ZINC000388238437 358112690 /nfs/dbraw/zinc/11/26/90/358112690.db2.gz SWIXEHYGRIVSNE-WDEREUQCSA-N 0 3 231.336 0.475 20 0 BCADHN NC(=O)c1ccc(CN2CCC[C@@H](CO)C2)cc1 ZINC000049933670 181294743 /nfs/dbraw/zinc/29/47/43/181294743.db2.gz RRZSZTBWFYORFJ-GFCCVEGCSA-N 0 3 248.326 0.990 20 0 BCADHN COC[C@@H](C)N(C)C(=O)CNC(C)C ZINC000037815778 358093635 /nfs/dbraw/zinc/09/36/35/358093635.db2.gz DZUMKUAULLSNNO-SECBINFHSA-N 0 3 202.298 0.478 20 0 BCADHN COC[C@H](C)N(C)C(=O)CNC(C)C ZINC000037815777 358093765 /nfs/dbraw/zinc/09/37/65/358093765.db2.gz DZUMKUAULLSNNO-VIFPVBQESA-N 0 3 202.298 0.478 20 0 BCADHN CC[C@]1(O)CCCN(CC(=O)N(C)C)C1 ZINC000640029958 358121625 /nfs/dbraw/zinc/12/16/25/358121625.db2.gz OMJOOVFADHFTQK-NSHDSACASA-N 0 3 214.309 0.312 20 0 BCADHN CC[C@]1(O)CCCN([C@H](C)C(N)=O)C1 ZINC000640031133 358123506 /nfs/dbraw/zinc/12/35/06/358123506.db2.gz OQGAOIRQXQVYAO-SCZZXKLOSA-N 0 3 200.282 0.097 20 0 BCADHN CC[C@]1(O)CCCN(CCOCCO)C1 ZINC000640032808 358124847 /nfs/dbraw/zinc/12/48/47/358124847.db2.gz LZDBFEBNRCJUSL-NSHDSACASA-N 0 3 217.309 0.232 20 0 BCADHN CC[C@@]1(O)CCCN(CCc2cn(C)nn2)C1 ZINC000640034680 358127439 /nfs/dbraw/zinc/12/74/39/358127439.db2.gz ASCBLDQPVFQRFI-GFCCVEGCSA-N 0 3 238.335 0.595 20 0 BCADHN CC[C@H](O)CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640042209 358140125 /nfs/dbraw/zinc/14/01/25/358140125.db2.gz NHLLCYUHOSLQTD-XHNCKOQMSA-N 0 3 241.253 0.860 20 0 BCADHN O=C1CC[C@H](CN2C[C@H]3CC[C@@H](C2)O3)CCN1 ZINC000640043640 358140706 /nfs/dbraw/zinc/14/07/06/358140706.db2.gz VXORRNPSWDLEPT-SDDRHHMPSA-N 0 3 238.331 0.766 20 0 BCADHN CN(CCCCF)CC(=O)N1CCN(C)CC1 ZINC000640051516 358145710 /nfs/dbraw/zinc/14/57/10/358145710.db2.gz PDWTZKJHHBOLTJ-UHFFFAOYSA-N 0 3 245.342 0.442 20 0 BCADHN CC[C@@]1(O)CCCN(CCN2CCNC2=O)C1 ZINC000640036617 358136580 /nfs/dbraw/zinc/13/65/80/358136580.db2.gz VDADAGMDHBZZHC-GFCCVEGCSA-N 0 3 241.335 0.249 20 0 BCADHN O=C(c1ccon1)N1CC[C@H](N2CCCC2)C1 ZINC000171439685 134258103 /nfs/dbraw/zinc/25/81/03/134258103.db2.gz DVXDMACZVKBSPS-JTQLQIEISA-N 0 3 235.287 0.985 20 0 BCADHN O=C(Cn1ccnc1)NCCN1CCCCC1 ZINC000584754225 358168914 /nfs/dbraw/zinc/16/89/14/358168914.db2.gz AGUSYIUQXUOMMX-UHFFFAOYSA-N 0 3 236.319 0.485 20 0 BCADHN NC(=O)c1ccc(CN2CC[C@H](CO)C2)cc1 ZINC000051886912 181295493 /nfs/dbraw/zinc/29/54/93/181295493.db2.gz PIMRAESDDPOKJR-NSHDSACASA-N 0 3 234.299 0.600 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H](C)[C@H](C)OC ZINC000252715098 535404266 /nfs/dbraw/zinc/40/42/66/535404266.db2.gz UQDGNMWPDXNOTQ-CIUDSAMLSA-N 0 3 202.298 0.524 20 0 BCADHN COc1ccc(CNC[C@@H](O)CSC)nc1 ZINC000584775755 358175122 /nfs/dbraw/zinc/17/51/22/358175122.db2.gz RXYZOWJRILZYJY-SNVBAGLBSA-N 0 3 242.344 0.904 20 0 BCADHN COCCOC[C@H](O)CN1CC=C(C)CC1 ZINC000450627290 202215793 /nfs/dbraw/zinc/21/57/93/202215793.db2.gz WQWAEDOUPXBJIV-GFCCVEGCSA-N 0 3 229.320 0.662 20 0 BCADHN CCCN(CC(=O)NC(=O)NC)C1CC1 ZINC000171682065 134259831 /nfs/dbraw/zinc/25/98/31/134259831.db2.gz YKZALRBLNYCWAH-UHFFFAOYSA-N 0 3 213.281 0.316 20 0 BCADHN O[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cn[nH]c1)C2 ZINC000640078572 358183078 /nfs/dbraw/zinc/18/30/78/358183078.db2.gz VHQNWXWOYPGOOT-DVVUODLYSA-N 0 3 207.277 0.755 20 0 BCADHN CN(C)C(=O)CN1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000640092595 358184833 /nfs/dbraw/zinc/18/48/33/358184833.db2.gz VODBOXKNCMJDME-TUAOUCFPSA-N 0 3 240.347 0.700 20 0 BCADHN NC(=O)CN1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000640094881 358187762 /nfs/dbraw/zinc/18/77/62/358187762.db2.gz JMZGRZFOFHDSSJ-AEJSXWLSSA-N 0 3 212.293 0.097 20 0 BCADHN NC(=O)CN1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000640094884 358187838 /nfs/dbraw/zinc/18/78/38/358187838.db2.gz JMZGRZFOFHDSSJ-UTLUCORTSA-N 0 3 212.293 0.097 20 0 BCADHN CC1(C(N)=O)CN(CCN2CCCCC2)C1 ZINC000584837329 358198216 /nfs/dbraw/zinc/19/82/16/358198216.db2.gz FFRMSDYMOAODFV-UHFFFAOYSA-N 0 3 225.336 0.280 20 0 BCADHN CC[C@H](C)[C@@H](O)C(=O)NCCOCCN(C)C ZINC000450656487 202227084 /nfs/dbraw/zinc/22/70/84/202227084.db2.gz WAPANWNVAHONLJ-WDEREUQCSA-N 0 3 246.351 0.088 20 0 BCADHN CC[C@H](C)[C@H](O)C(=O)NCCOCCN(C)C ZINC000450656486 202227653 /nfs/dbraw/zinc/22/76/53/202227653.db2.gz WAPANWNVAHONLJ-QWRGUYRKSA-N 0 3 246.351 0.088 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)NC[C@H]1CCCN(C)C1 ZINC000547455875 325357612 /nfs/dbraw/zinc/35/76/12/325357612.db2.gz ZURTUNKPBUDRRA-DGCLKSJQSA-N 0 3 242.363 0.851 20 0 BCADHN CN(C[C@@H](O)CN1CCCCCO1)C1CC1 ZINC000640124531 358203974 /nfs/dbraw/zinc/20/39/74/358203974.db2.gz VWHIRFHKYCPZNB-GFCCVEGCSA-N 0 3 228.336 0.859 20 0 BCADHN CCC[C@H](O)CN(C)CCNC(=O)N(C)C ZINC000450655975 202228522 /nfs/dbraw/zinc/22/85/22/202228522.db2.gz VGXSGPHJPVVDDJ-JTQLQIEISA-N 0 3 231.340 0.350 20 0 BCADHN CN(C)CCN(C(=O)c1ncccc1N)C1CC1 ZINC000640126188 358205706 /nfs/dbraw/zinc/20/57/06/358205706.db2.gz GKLXBVANCCOKAU-UHFFFAOYSA-N 0 3 248.330 0.830 20 0 BCADHN COc1cccnc1NC(=O)NCCN(C)C ZINC000547466362 325358748 /nfs/dbraw/zinc/35/87/48/325358748.db2.gz HYDSHXMWKYZTLG-UHFFFAOYSA-N 0 3 238.291 0.773 20 0 BCADHN CN(CCNS(C)(=O)=O)C(C)(C)C ZINC000584879077 358211925 /nfs/dbraw/zinc/21/19/25/358211925.db2.gz FNFKCLBNEUGCRQ-UHFFFAOYSA-N 0 3 208.327 0.266 20 0 BCADHN CCC[N@H+](CCO)Cc1ncccc1[O-] ZINC000583898838 358227391 /nfs/dbraw/zinc/22/73/91/358227391.db2.gz NNEBSGFNDDVJNJ-UHFFFAOYSA-N 0 3 210.277 0.992 20 0 BCADHN CCC[N@@H+](CCO)Cc1ncccc1[O-] ZINC000583898838 358227393 /nfs/dbraw/zinc/22/73/93/358227393.db2.gz NNEBSGFNDDVJNJ-UHFFFAOYSA-N 0 3 210.277 0.992 20 0 BCADHN NC(=O)c1ccc(CNCCCO)cc1 ZINC000035114621 181296172 /nfs/dbraw/zinc/29/61/72/181296172.db2.gz SOTRLLDKUOPOAZ-UHFFFAOYSA-N 0 3 208.261 0.258 20 0 BCADHN C[C@@H](N)C(=O)NCC[C@@H]1CCCCO1 ZINC000224071294 358231371 /nfs/dbraw/zinc/23/13/71/358231371.db2.gz BVYJNMJRCANOCR-BDAKNGLRSA-N 0 3 200.282 0.409 20 0 BCADHN C[C@@H](N)C(=O)NCC[C@H]1CCCCO1 ZINC000224071345 358231522 /nfs/dbraw/zinc/23/15/22/358231522.db2.gz BVYJNMJRCANOCR-RKDXNWHRSA-N 0 3 200.282 0.409 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H]1CC1(F)F ZINC000450689472 202234664 /nfs/dbraw/zinc/23/46/64/202234664.db2.gz XZEXAKRJUWMAKC-MRVPVSSYSA-N 0 3 236.262 0.072 20 0 BCADHN CCCCOCCNC(=O)CNC1CC1 ZINC000040507691 358237925 /nfs/dbraw/zinc/23/79/25/358237925.db2.gz BBKHXZPRFHEUJY-UHFFFAOYSA-N 0 3 214.309 0.671 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172203066 134264714 /nfs/dbraw/zinc/26/47/14/134264714.db2.gz NQPYYOFWIGLAOE-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN NC(=O)c1cccc(NC(=O)CNC2CC2)c1 ZINC000040854392 358247621 /nfs/dbraw/zinc/24/76/21/358247621.db2.gz DACBJPNSFBLSBS-UHFFFAOYSA-N 0 3 233.271 0.476 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N[C@H](C)[C@H](C)CO ZINC000450732720 202249177 /nfs/dbraw/zinc/24/91/77/202249177.db2.gz KAHYFAGDBSCTJT-MXWKQRLJSA-N 0 3 230.352 0.848 20 0 BCADHN CCC[C@@H](O)CN(C)[C@@]1(CO)CCOC1 ZINC000450713526 202242466 /nfs/dbraw/zinc/24/24/66/202242466.db2.gz SRBZRBLFVVBQKO-GHMZBOCLSA-N 0 3 217.309 0.231 20 0 BCADHN c1ncc(CNCC[C@H]2CCOC2)cn1 ZINC000230162723 491127860 /nfs/dbraw/zinc/12/78/60/491127860.db2.gz BKASHCVDSMYTQB-JTQLQIEISA-N 0 3 207.277 0.993 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCC1(OC)CCC1 ZINC000134714855 325372940 /nfs/dbraw/zinc/37/29/40/325372940.db2.gz PDMKZDBRWAFXOV-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN CCOCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252668148 535416447 /nfs/dbraw/zinc/41/64/47/535416447.db2.gz SMWYINWIAFDXCY-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN CCC[C@H](O)CN1CC[C@H](NC(=O)NC)C1 ZINC000450757840 202260048 /nfs/dbraw/zinc/26/00/48/202260048.db2.gz LPLUQWGPSPIGDE-UWVGGRQHSA-N 0 3 229.324 0.151 20 0 BCADHN CCOCC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000342460191 535418446 /nfs/dbraw/zinc/41/84/46/535418446.db2.gz DIOXTIVXHURJMW-MWLCHTKSSA-N 0 3 226.320 0.622 20 0 BCADHN CC(C)(O)CN(C[C@H]1COCCO1)C1CC1 ZINC000450775019 202261648 /nfs/dbraw/zinc/26/16/48/202261648.db2.gz AQEORZHYDKFPFG-NSHDSACASA-N 0 3 229.320 0.637 20 0 BCADHN CC[C@H](O)CN1CCN(CC)[C@@H](C)C1 ZINC000216587838 491128585 /nfs/dbraw/zinc/12/85/85/491128585.db2.gz MCGCXZYMLKQMNM-QWRGUYRKSA-N 0 3 200.326 0.783 20 0 BCADHN CCS(=O)(=O)NCCN1C[C@@H]2[C@H](C1)C2(C)C ZINC000172967611 134271535 /nfs/dbraw/zinc/27/15/35/134271535.db2.gz BKIFPHSCXTZJIJ-AOOOYVTPSA-N 0 3 246.376 0.514 20 0 BCADHN Cc1cccc(S(=O)(=O)N(C)C2CNC2)c1 ZINC000085257851 134271644 /nfs/dbraw/zinc/27/16/44/134271644.db2.gz VCQUFANFAAUQRU-UHFFFAOYSA-N 0 3 240.328 0.587 20 0 BCADHN CN1CCC[C@H]1CNC[C@@H](O)C(F)(F)F ZINC000226048142 358333049 /nfs/dbraw/zinc/33/30/49/358333049.db2.gz PTPVQXYKTKDDTJ-JGVFFNPUSA-N 0 3 226.242 0.593 20 0 BCADHN Cc1ncc(CNC[C@]2(O)CCO[C@H]2C)n1C ZINC000578207178 366392502 /nfs/dbraw/zinc/39/25/02/366392502.db2.gz NCSHQKSEEOLAJW-JOYOIKCWSA-N 0 3 239.319 0.358 20 0 BCADHN Cc1c(CNC[C@@H](O)Cn2cccn2)cnn1C ZINC000226383437 358338327 /nfs/dbraw/zinc/33/83/27/358338327.db2.gz JMHVVNWVELGRMF-GFCCVEGCSA-N 0 3 249.318 0.076 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N[C@@H]1C[C@@H](O)C1(C)C ZINC000226597563 358341092 /nfs/dbraw/zinc/34/10/92/358341092.db2.gz PUINFPOQIOBCLE-HBNTYKKESA-N 0 3 242.363 0.992 20 0 BCADHN COc1ccc(NC(=O)[C@@H](CN)OC)cc1O ZINC000227357997 358354353 /nfs/dbraw/zinc/35/43/53/358354353.db2.gz BBXIWZYFERLBTG-SNVBAGLBSA-N 0 3 240.259 0.313 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000226702865 358343646 /nfs/dbraw/zinc/34/36/46/358343646.db2.gz RDWAYHWDLPGRKS-CIUDSAMLSA-N 0 3 200.282 0.407 20 0 BCADHN COC[C@H](CO)NC[C@@H](O)CC1CCCC1 ZINC000229186964 358346037 /nfs/dbraw/zinc/34/60/37/358346037.db2.gz ZMTBPZRNULPWIE-RYUDHWBXSA-N 0 3 231.336 0.525 20 0 BCADHN CO[C@@H](CN)C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000227385234 358354629 /nfs/dbraw/zinc/35/46/29/358354629.db2.gz VNUCKCDQGFULJG-YIZRAAEISA-N 0 3 232.349 0.313 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000227364630 358354757 /nfs/dbraw/zinc/35/47/57/358354757.db2.gz UZTMNJBNCVEVEU-BDAKNGLRSA-N 0 3 216.325 0.853 20 0 BCADHN CCN(C[C@@H]1CCCO1)C(=O)CNC1CC1 ZINC000042470794 358349662 /nfs/dbraw/zinc/34/96/62/358349662.db2.gz WXFQUAPNQNTGBH-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN CCN(Cc1ccncc1)C(=O)[C@@H](CN)OC ZINC000227368373 358354833 /nfs/dbraw/zinc/35/48/33/358354833.db2.gz KSEWJGULUHALTR-LLVKDONJSA-N 0 3 237.303 0.404 20 0 BCADHN NC(=O)c1ccc(CN[C@@H]2CCOC2)cc1 ZINC000087415914 181296935 /nfs/dbraw/zinc/29/69/35/181296935.db2.gz DNSYGJXYFWBHCO-LLVKDONJSA-N 0 3 220.272 0.664 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1nc(C(C)=O)cs1 ZINC000227386359 358354955 /nfs/dbraw/zinc/35/49/55/358354955.db2.gz GIOANILDEZPINH-ZETCQYMHSA-N 0 3 243.288 0.258 20 0 BCADHN NC(=O)c1ccc(CNCCn2ccnc2)cc1 ZINC000041064070 181296948 /nfs/dbraw/zinc/29/69/48/181296948.db2.gz MGVBKTZJCUWWHM-UHFFFAOYSA-N 0 3 244.298 0.772 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc(C)c(O)c1C ZINC000227357839 358353891 /nfs/dbraw/zinc/35/38/91/358353891.db2.gz 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C([C@H]1CCCO1)N1CC[C@H](N2CCOCC2)C1 ZINC000173942104 134277196 /nfs/dbraw/zinc/27/71/96/134277196.db2.gz CKUVWJGKOXKAPN-QWHCGFSZSA-N 0 3 240.347 0.572 20 0 BCADHN CO[C@H]1CN(C(=O)CNC2CC2)CC[C@@H]1C ZINC000230245688 358396754 /nfs/dbraw/zinc/39/67/54/358396754.db2.gz PDZPTRWQEQRNHK-ONGXEEELSA-N 0 3 226.320 0.622 20 0 BCADHN CNC(=O)C(C)(C)CNC[C@@H](O)C(F)(F)F ZINC000230395870 358398873 /nfs/dbraw/zinc/39/88/73/358398873.db2.gz ANAHITYFIQOYPN-ZCFIWIBFSA-N 0 3 242.241 0.271 20 0 BCADHN NS(=O)(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000173867465 134277966 /nfs/dbraw/zinc/27/79/66/134277966.db2.gz RBVRZODWXOQMRL-SNVBAGLBSA-N 0 3 247.364 0.044 20 0 BCADHN CCNS(=O)(=O)N1CC[C@@H](N(CC)CC)C1 ZINC000173991106 134280068 /nfs/dbraw/zinc/28/00/68/134280068.db2.gz SEIIPRBMQUYERU-SNVBAGLBSA-N 0 3 249.380 0.257 20 0 BCADHN CC[C@@H](N[C@@H]1CCc2nc(C)cn2C1)C(N)=O ZINC000112540194 358446674 /nfs/dbraw/zinc/44/66/74/358446674.db2.gz QCBCGRZEHCJTEJ-NXEZZACHSA-N 0 3 236.319 0.360 20 0 BCADHN 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358726764 /nfs/dbraw/zinc/72/67/64/358726764.db2.gz CFHCJTQRWRKBMD-GMTAPVOTSA-N 0 3 226.320 0.812 20 0 BCADHN CC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000050457766 358729985 /nfs/dbraw/zinc/72/99/85/358729985.db2.gz STIUZPSXRNANAV-MNOVXSKESA-N 0 3 233.271 0.931 20 0 BCADHN CCn1cc(CNCCn2cccn2)cn1 ZINC000050539650 358733288 /nfs/dbraw/zinc/73/32/88/358733288.db2.gz VLBWTUBZWHDDLV-UHFFFAOYSA-N 0 3 219.292 0.889 20 0 BCADHN CNC(=O)[C@H](C)CN(C)Cc1cnc(N)s1 ZINC000219840471 134292205 /nfs/dbraw/zinc/29/22/05/134292205.db2.gz NCTLVEZPYDTJTK-SSDOTTSWSA-N 0 3 242.348 0.539 20 0 BCADHN C[C@H]1CN(C(=O)C[C@H]2CNCCO2)C[C@H]1C ZINC000219832211 134292248 /nfs/dbraw/zinc/29/22/48/134292248.db2.gz BSSOBWPTVBSBNS-AXFHLTTASA-N 0 3 226.320 0.479 20 0 BCADHN CC[C@@H](O)CCNCc1cnc(N(C)C)n1C ZINC000135025299 358816987 /nfs/dbraw/zinc/81/69/87/358816987.db2.gz KALQOAFGKYCLKJ-LLVKDONJSA-N 0 3 240.351 0.737 20 0 BCADHN CN1CCN(C(=O)CN2CCCC2(C)C)CC1 ZINC000180470882 366458972 /nfs/dbraw/zinc/45/89/72/366458972.db2.gz XCKRWYYETKSIOP-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N1CCC[C@H](CO)C1 ZINC000052396027 358780860 /nfs/dbraw/zinc/78/08/60/358780860.db2.gz YSGOJJQKNUNVLW-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)NS(=O)(=O)[C@@H]1CCN(CC2CC2)C1 ZINC000134307586 358786393 /nfs/dbraw/zinc/78/63/93/358786393.db2.gz FWCSTOIFYWJLOC-LLVKDONJSA-N 0 3 246.376 0.799 20 0 BCADHN CS[C@H]1CCCCN(CC(=O)NC(N)=O)C1 ZINC000134563297 358795060 /nfs/dbraw/zinc/79/50/60/358795060.db2.gz CECKDTCPZWLAJZ-QMMMGPOBSA-N 0 3 245.348 0.399 20 0 BCADHN CC[C@@H](C)NC(=O)CNC1(CO)CCCC1 ZINC000053070041 358808036 /nfs/dbraw/zinc/80/80/36/358808036.db2.gz HBBMZJUCVSPDNJ-SNVBAGLBSA-N 0 3 228.336 0.796 20 0 BCADHN NS(=O)(=O)CCCN1CCC2(CCC2)C1 ZINC000176938545 134295035 /nfs/dbraw/zinc/29/50/35/134295035.db2.gz XSEDJUSZFXOABY-UHFFFAOYSA-N 0 3 232.349 0.541 20 0 BCADHN OCCOCCN1CCS[C@H]2COCC[C@@H]21 ZINC000135558307 358844564 /nfs/dbraw/zinc/84/45/64/358844564.db2.gz 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/nfs/dbraw/zinc/58/56/50/366585650.db2.gz PBIGUUHNTAZRQL-SNVBAGLBSA-N 0 3 228.336 0.733 20 0 BCADHN CCN(C[C@@H](C)OC)C[C@](C)(O)C(C)=O ZINC000451056393 202340520 /nfs/dbraw/zinc/34/05/20/202340520.db2.gz GYXHCCRXYCTPHA-KOLCDFICSA-N 0 3 217.309 0.683 20 0 BCADHN CN(C[C@@H]1CCCO1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451148565 202366181 /nfs/dbraw/zinc/36/61/81/202366181.db2.gz PFRWRXRZKOTXII-XQQFMLRXSA-N 0 3 240.347 0.570 20 0 BCADHN CN(C[C@@H](O)CN(C1CC1)C1COC1)C1CC1 ZINC000451128463 202359069 /nfs/dbraw/zinc/35/90/69/202359069.db2.gz XNSBHIWJLZDVAD-CYBMUJFWSA-N 0 3 240.347 0.305 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2CCCN(C)C2=O)[C@@H](C)O1 ZINC000451131076 202362010 /nfs/dbraw/zinc/36/20/10/202362010.db2.gz RSGHRJKGGRLYHC-ZNSHCXBVSA-N 0 3 226.320 0.763 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CCCN(C)C2=O)[C@H](C)O1 ZINC000451131075 202363696 /nfs/dbraw/zinc/36/36/96/202363696.db2.gz RSGHRJKGGRLYHC-YTWAJWBKSA-N 0 3 226.320 0.763 20 0 BCADHN CN(C)CCNc1ccc2nccnc2n1 ZINC000087200866 359902382 /nfs/dbraw/zinc/90/23/82/359902382.db2.gz YYHPAQRLOAAVKD-UHFFFAOYSA-N 0 3 217.276 0.998 20 0 BCADHN COC[C@]1(C)CCN(CC(=O)N2CCCC2)C1 ZINC000451197355 202376573 /nfs/dbraw/zinc/37/65/73/202376573.db2.gz YNPIJNBQHQQVDA-CYBMUJFWSA-N 0 3 240.347 0.967 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@](C)(COC)C1 ZINC000451202247 202378132 /nfs/dbraw/zinc/37/81/32/202378132.db2.gz OJHYMBWSDQIXLT-GFCCVEGCSA-N 0 3 228.336 0.823 20 0 BCADHN CCOC(=O)CCCCN1CCOC[C@@H](O)C1 ZINC000451227885 202381422 /nfs/dbraw/zinc/38/14/22/202381422.db2.gz MBGMJGBVLFQNEK-NSHDSACASA-N 0 3 245.319 0.413 20 0 BCADHN CCOCCNC(=O)CN[C@H]1CCOC1(C)C ZINC000451246386 202385373 /nfs/dbraw/zinc/38/53/73/202385373.db2.gz VZHFULUDNCPLTB-JTQLQIEISA-N 0 3 244.335 0.296 20 0 BCADHN COCCSCCCN1CCOC[C@H](O)C1 ZINC000451235723 202382938 /nfs/dbraw/zinc/38/29/38/202382938.db2.gz QCANGWKEGPSGCR-LLVKDONJSA-N 0 3 249.376 0.449 20 0 BCADHN COC(=O)[C@@H]1CCCCC[C@@H]1N[C@@H](C)C(N)=O ZINC000451237468 202383781 /nfs/dbraw/zinc/38/37/81/202383781.db2.gz VYYSWIXDHYGRKW-AEJSXWLSSA-N 0 3 242.319 0.572 20 0 BCADHN O[C@H]1COCCN(CCCc2ccncc2)C1 ZINC000451233842 202384888 /nfs/dbraw/zinc/38/48/88/202384888.db2.gz JKSYGPWQYFKUSB-CYBMUJFWSA-N 0 3 236.315 0.707 20 0 BCADHN CN(C)c1ncc(CN[C@H]2CCOC2)n1C ZINC000087784507 359929012 /nfs/dbraw/zinc/92/90/12/359929012.db2.gz KUNPIPDBKKSKNI-VIFPVBQESA-N 0 3 224.308 0.365 20 0 BCADHN CNCC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000578648913 366619177 /nfs/dbraw/zinc/61/91/77/366619177.db2.gz SNPJKTFTWKEUOA-UHFFFAOYSA-N 0 3 245.286 0.484 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N(C)Cc2cnccn2)C1 ZINC000578536225 366594363 /nfs/dbraw/zinc/59/43/63/366594363.db2.gz WLTDGRKAMDBHFZ-PWSUYJOCSA-N 0 3 248.330 0.823 20 0 BCADHN CC[C@H](NC(=O)[C@H](C)NC)[C@H]1CCCO1 ZINC000578547962 366597117 /nfs/dbraw/zinc/59/71/17/366597117.db2.gz HUJFNYIKIMIXTM-LPEHRKFASA-N 0 3 214.309 0.668 20 0 BCADHN CC[C@H](NC(=O)[C@H](C)NC)[C@@H]1CCCO1 ZINC000578547960 366597637 /nfs/dbraw/zinc/59/76/37/366597637.db2.gz HUJFNYIKIMIXTM-GUBZILKMSA-N 0 3 214.309 0.668 20 0 BCADHN Cn1nncc1CN[C@H]1Cc2cccc(O)c2C1 ZINC000578682018 366625785 /nfs/dbraw/zinc/62/57/85/366625785.db2.gz BDXQAMXURVKNRH-JTQLQIEISA-N 0 3 244.298 0.778 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000451249255 202387596 /nfs/dbraw/zinc/38/75/96/202387596.db2.gz DWTYRHTZCZNTIR-IYKVGLELSA-N 0 3 229.320 0.946 20 0 BCADHN CN(C[C@H]1COCCO1)CC(C)(C)CO ZINC000451260374 202389700 /nfs/dbraw/zinc/38/97/00/202389700.db2.gz ZPCAEXIQEDEDOB-JTQLQIEISA-N 0 3 217.309 0.352 20 0 BCADHN N[C@H](C(=O)NCCNc1ccccn1)C1CCC1 ZINC000578622977 366609743 /nfs/dbraw/zinc/60/97/43/366609743.db2.gz GVTVDUKABBDUNY-LBPRGKRZSA-N 0 3 248.330 0.737 20 0 BCADHN CNC(=O)CCCN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000578638968 366609754 /nfs/dbraw/zinc/60/97/54/366609754.db2.gz OLXMDOZZTDMJLM-ZJUUUORDSA-N 0 3 241.335 0.098 20 0 BCADHN CC(=O)Nc1ccc(CNC(CO)CO)cc1 ZINC000087749242 359925562 /nfs/dbraw/zinc/92/55/62/359925562.db2.gz TVWCGPJIMWZZCK-UHFFFAOYSA-N 0 3 238.287 0.088 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C ZINC000088055949 359933825 /nfs/dbraw/zinc/93/38/25/359933825.db2.gz NARULXCBKJXNRK-ONGXEEELSA-N 0 3 249.314 0.587 20 0 BCADHN COCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000088055913 359933903 /nfs/dbraw/zinc/93/39/03/359933903.db2.gz HVFJRUNUNPOLAZ-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@H]1CN(CC(=O)N(C)c2ccccc2)CCN1 ZINC000088060158 359935497 /nfs/dbraw/zinc/93/54/97/359935497.db2.gz BYDSVIDJEONWIO-LBPRGKRZSA-N 0 3 247.342 0.943 20 0 BCADHN CC[C@H](CO)[N@@H+](C)Cc1ncccc1[O-] ZINC000578714298 366629501 /nfs/dbraw/zinc/62/95/01/366629501.db2.gz OVAZFJAZZPKPSO-SECBINFHSA-N 0 3 210.277 0.990 20 0 BCADHN C[C@H](NC(=O)C1(N)CC1)c1nnc2ccccn21 ZINC000088129914 359937048 /nfs/dbraw/zinc/93/70/48/359937048.db2.gz SIPXSDPYAKXLFE-QMMMGPOBSA-N 0 3 245.286 0.398 20 0 BCADHN CCNC(=O)Cn1cc2c(n1)[C@@H](N)CCC2 ZINC000578739647 366635154 /nfs/dbraw/zinc/63/51/54/366635154.db2.gz GNMQSTWMXKAIAN-VIFPVBQESA-N 0 3 222.292 0.355 20 0 BCADHN O=C(CC[C@H]1CC[NH2+]C1)NCc1ncccc1[O-] ZINC000578745817 366635826 /nfs/dbraw/zinc/63/58/26/366635826.db2.gz IDSVNHLGXHEDEN-JTQLQIEISA-N 0 3 249.314 0.793 20 0 BCADHN C[NH+](C)CC(C)(C)CNC(=O)c1c[n-]nn1 ZINC000088330158 359946609 /nfs/dbraw/zinc/94/66/09/359946609.db2.gz NGRBENZEFRKJRZ-UHFFFAOYSA-N 0 3 225.296 0.122 20 0 BCADHN C[NH+](C)CC(C)(C)CNC(=O)c1cnn[n-]1 ZINC000088330158 359946614 /nfs/dbraw/zinc/94/66/14/359946614.db2.gz NGRBENZEFRKJRZ-UHFFFAOYSA-N 0 3 225.296 0.122 20 0 BCADHN C[NH+](C)CC(C)(C)CNC(=O)c1cn[n-]n1 ZINC000088330158 359946617 /nfs/dbraw/zinc/94/66/17/359946617.db2.gz NGRBENZEFRKJRZ-UHFFFAOYSA-N 0 3 225.296 0.122 20 0 BCADHN CCOC(=O)[C@H](NC(=O)[C@H](C)NC)[C@H](C)CC ZINC000578881966 366666373 /nfs/dbraw/zinc/66/63/73/366666373.db2.gz HYCDJEIFPSTICL-KXUCPTDWSA-N 0 3 244.335 0.688 20 0 BCADHN CCNC(=O)CN1CCN(C[C@H](C)CC)CC1 ZINC000088493486 359963206 /nfs/dbraw/zinc/96/32/06/359963206.db2.gz GRUKYZNITUUZDO-GFCCVEGCSA-N 0 3 241.379 0.786 20 0 BCADHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ncc[nH]2)C1 ZINC000612650368 359971697 /nfs/dbraw/zinc/97/16/97/359971697.db2.gz QGRCZGDQDSIKTN-GHMZBOCLSA-N 0 3 248.330 0.966 20 0 BCADHN Cc1cccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1[O-] ZINC000090321138 360070250 /nfs/dbraw/zinc/07/02/50/360070250.db2.gz HEWUWJYSAFXICG-PHIMTYICSA-N 0 3 246.310 0.992 20 0 BCADHN CCOC(=O)CCCCN1C[C@@H](O)[C@H](OC)C1 ZINC000451748249 202471860 /nfs/dbraw/zinc/47/18/60/202471860.db2.gz IHYXCBRJINMJKX-GHMZBOCLSA-N 0 3 245.319 0.411 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000612871775 360146459 /nfs/dbraw/zinc/14/64/59/360146459.db2.gz PPPHYIMWTZGXIH-WGBDABJCSA-N 0 3 240.347 0.461 20 0 BCADHN CC(C)OCCCNC(=O)C[C@@H]1CNCCO1 ZINC000091310560 360112883 /nfs/dbraw/zinc/11/28/83/360112883.db2.gz YBZXQHMCESEHPF-LLVKDONJSA-N 0 3 244.335 0.296 20 0 BCADHN COC(=O)c1cncc(NC[C@H](C)N(C)C)n1 ZINC000091417397 360115176 /nfs/dbraw/zinc/11/51/76/360115176.db2.gz FWIOQZNBZTYJTG-QMMMGPOBSA-N 0 3 238.291 0.625 20 0 BCADHN C[C@@H]1CCC[C@@H](CN2CCO[C@H](C(N)=O)C2)C1 ZINC000092795258 360200400 /nfs/dbraw/zinc/20/04/00/360200400.db2.gz PCWSFYFXVMWNJS-UTUOFQBUSA-N 0 3 240.347 0.999 20 0 BCADHN CC(C)[C@H](CO)NCc1cccc(C(N)=O)c1 ZINC000092394059 360168478 /nfs/dbraw/zinc/16/84/78/360168478.db2.gz NXBULWXNUGJAKW-LBPRGKRZSA-N 0 3 236.315 0.892 20 0 BCADHN CCc1nn(C)cc1CN[C@H](C)CC(N)=O ZINC000092412497 360170506 /nfs/dbraw/zinc/17/05/06/360170506.db2.gz NQWHTPZFFPBUBQ-MRVPVSSYSA-N 0 3 224.308 0.336 20 0 BCADHN NC1(C(=O)N2CCO[C@H]3CCC[C@H]32)CC1 ZINC000083835620 325575792 /nfs/dbraw/zinc/57/57/92/325575792.db2.gz WGMREITVGONYLC-BDAKNGLRSA-N 0 3 210.277 0.258 20 0 BCADHN C[C@H]1C[C@H](NCc2ncn(C)n2)CN1C1CC1 ZINC000092852368 360204615 /nfs/dbraw/zinc/20/46/15/360204615.db2.gz NODAIMYYBUKYPU-UWVGGRQHSA-N 0 3 235.335 0.530 20 0 BCADHN Cn1nncc1CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093505129 360252355 /nfs/dbraw/zinc/25/23/55/360252355.db2.gz YKUSGTVYLKBNMQ-PWSUYJOCSA-N 0 3 236.319 0.816 20 0 BCADHN CC[C@@H](C)N(C)CC(=O)N1CCN(C)CC1 ZINC000093192864 360221911 /nfs/dbraw/zinc/22/19/11/360221911.db2.gz MSSRDNHJUZLKJC-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN C[C@@H]1CCN(CCN2CCOCC2)C[C@@H]1O ZINC000093342390 360233907 /nfs/dbraw/zinc/23/39/07/360233907.db2.gz UOGYBFLMKXJSJG-NEPJUHHUSA-N 0 3 228.336 0.021 20 0 BCADHN CCn1cc(CNCCc2ncn(C)n2)cn1 ZINC000095016054 360331309 /nfs/dbraw/zinc/33/13/09/360331309.db2.gz OZTLTEKILQAYMB-UHFFFAOYSA-N 0 3 234.307 0.364 20 0 BCADHN Cc1cc(CNCC2(CO)CCOCC2)on1 ZINC000631098448 360336745 /nfs/dbraw/zinc/33/67/45/360336745.db2.gz AHYBVCLOWVBBHI-UHFFFAOYSA-N 0 3 240.303 0.862 20 0 BCADHN CCOC(=O)COCCN1CCN(CC)CC1 ZINC000094805143 360319456 /nfs/dbraw/zinc/31/94/56/360319456.db2.gz LCPCLQHQGYBSQS-UHFFFAOYSA-N 0 3 244.335 0.204 20 0 BCADHN CCOC(=O)COCCN(C)C[C@@H]1CCCO1 ZINC000094805257 360320829 /nfs/dbraw/zinc/32/08/29/360320829.db2.gz BEDOKXCLDUSNAI-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@@H](O)COC(C)C ZINC000097324810 360369583 /nfs/dbraw/zinc/36/95/83/360369583.db2.gz GLZZZJJDNHXITO-LLVKDONJSA-N 0 3 246.351 0.216 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCC[C@@H](CCO)C1 ZINC000226001730 360387107 /nfs/dbraw/zinc/38/71/07/360387107.db2.gz HMHCRLUCZZJUJU-QWRGUYRKSA-N 0 3 240.347 0.748 20 0 BCADHN O=C1C[C@H](NC2CSC2)CN1C1CC1 ZINC000306561606 360438966 /nfs/dbraw/zinc/43/89/66/360438966.db2.gz SZDFKMQTLLGGRA-ZETCQYMHSA-N 0 3 212.318 0.455 20 0 BCADHN C[C@H]1CSC[C@H]1NCC1OCCO1 ZINC000306544068 360413224 /nfs/dbraw/zinc/41/32/24/360413224.db2.gz UDQNTXWNTMJPEG-JGVFFNPUSA-N 0 3 203.307 0.700 20 0 BCADHN C[C@H](CCNC1CSC1)[S@](C)=O ZINC000393339435 360422171 /nfs/dbraw/zinc/42/21/71/360422171.db2.gz TXKQNBHWXIVNFF-KRTXAFLBSA-N 0 3 207.364 0.849 20 0 BCADHN C[C@H](NC1CSC1)[C@@H]1CN(C)CCO1 ZINC000306554550 360427751 /nfs/dbraw/zinc/42/77/51/360427751.db2.gz HBQISYLJAOUAMY-WPRPVWTQSA-N 0 3 216.350 0.411 20 0 BCADHN C[C@H]1CN(C(=O)C2(N(C)C)CC2)[C@@H](C)CN1C ZINC000613190166 360500235 /nfs/dbraw/zinc/50/02/35/360500235.db2.gz DHBMIHBGSSSWJZ-QWRGUYRKSA-N 0 3 239.363 0.632 20 0 BCADHN N[C@H](C(=O)N[C@@H]1CCSC1)C1CCC1 ZINC000306575364 360465180 /nfs/dbraw/zinc/46/51/80/360465180.db2.gz JIAXFNUJLDLGHW-BDAKNGLRSA-N 0 3 214.334 0.736 20 0 BCADHN C[C@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C ZINC000628648317 360594690 /nfs/dbraw/zinc/59/46/90/360594690.db2.gz GUUXLVAALYVQOY-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN NC(=O)c1cccc(CNC2(CO)CCC2)c1 ZINC000133134185 181303162 /nfs/dbraw/zinc/30/31/62/181303162.db2.gz YYCRXBJNUMAOKC-UHFFFAOYSA-N 0 3 234.299 0.790 20 0 BCADHN NC(=O)c1cccc(CN2CCC[C@@H]2CO)c1 ZINC000050114020 181303887 /nfs/dbraw/zinc/30/38/87/181303887.db2.gz OVGYIHNYFJTVMV-GFCCVEGCSA-N 0 3 234.299 0.742 20 0 BCADHN NC(=O)c1cccc(CNCCn2ccnc2)c1 ZINC000042541399 181303813 /nfs/dbraw/zinc/30/38/13/181303813.db2.gz IOLNIRSWECTZSF-UHFFFAOYSA-N 0 3 244.298 0.772 20 0 BCADHN C[N@@H+]1CCCC[C@H](CNC(=O)c2cnn[n-]2)C1 ZINC000628745505 360631870 /nfs/dbraw/zinc/63/18/70/360631870.db2.gz OGLSTXNSEDGVBU-SECBINFHSA-N 0 3 237.307 0.266 20 0 BCADHN C[N@H+]1CCCC[C@H](CNC(=O)c2cnn[n-]2)C1 ZINC000628745505 360631872 /nfs/dbraw/zinc/63/18/72/360631872.db2.gz OGLSTXNSEDGVBU-SECBINFHSA-N 0 3 237.307 0.266 20 0 BCADHN C[N@@H+]1CCCC[C@H](CNC(=O)c2c[n-]nn2)C1 ZINC000628745505 360631875 /nfs/dbraw/zinc/63/18/75/360631875.db2.gz OGLSTXNSEDGVBU-SECBINFHSA-N 0 3 237.307 0.266 20 0 BCADHN C[N@H+]1CCCC[C@H](CNC(=O)c2c[n-]nn2)C1 ZINC000628745505 360631879 /nfs/dbraw/zinc/63/18/79/360631879.db2.gz OGLSTXNSEDGVBU-SECBINFHSA-N 0 3 237.307 0.266 20 0 BCADHN C[N@@H+]1CCCC[C@H](CNC(=O)c2cn[n-]n2)C1 ZINC000628745505 360631882 /nfs/dbraw/zinc/63/18/82/360631882.db2.gz OGLSTXNSEDGVBU-SECBINFHSA-N 0 3 237.307 0.266 20 0 BCADHN C[N@H+]1CCCC[C@H](CNC(=O)c2cn[n-]n2)C1 ZINC000628745505 360631888 /nfs/dbraw/zinc/63/18/88/360631888.db2.gz OGLSTXNSEDGVBU-SECBINFHSA-N 0 3 237.307 0.266 20 0 BCADHN CN1CCCC[C@@H](CNC(=O)C2CC(=O)C2)C1 ZINC000628751625 360633284 /nfs/dbraw/zinc/63/32/84/360633284.db2.gz YJNPHZQODYNMJA-JTQLQIEISA-N 0 3 238.331 0.814 20 0 BCADHN CCC[C@H](O)[C@H](CO)NCc1ccc(=O)[nH]c1 ZINC000631162860 360638553 /nfs/dbraw/zinc/63/85/53/360638553.db2.gz YEWXIKOMUVEWMA-QWRGUYRKSA-N 0 3 240.303 0.399 20 0 BCADHN CCC[C@@H](O)[C@@H](CO)NCc1ccc(=O)[nH]c1 ZINC000631162857 360638749 /nfs/dbraw/zinc/63/87/49/360638749.db2.gz YEWXIKOMUVEWMA-GHMZBOCLSA-N 0 3 240.303 0.399 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN[C@@H]1COCC1(C)C ZINC000451814854 202483800 /nfs/dbraw/zinc/48/38/00/202483800.db2.gz VJDNGOIOOCWUHH-SKDRFNHKSA-N 0 3 245.319 0.315 20 0 BCADHN CC(C(=O)N(C1CC1)C1CC1)S(C)(=O)=O ZINC000628819766 360674639 /nfs/dbraw/zinc/67/46/39/360674639.db2.gz MOIMJFYXJWLMGR-SSDOTTSWSA-N 0 3 231.317 0.573 20 0 BCADHN CN1C(=O)CC[C@@H](NCc2ccc(=O)[nH]c2)C1=O ZINC000631163984 360762700 /nfs/dbraw/zinc/76/27/00/360762700.db2.gz WKSUMGSQPDTHAN-SECBINFHSA-N 0 3 249.270 0.024 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cn[nH]c1 ZINC000309548666 491151082 /nfs/dbraw/zinc/15/10/82/491151082.db2.gz HMJWTNMJVINHTE-NXEZZACHSA-N 0 3 222.292 0.414 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C2CC2)no1 ZINC000063117075 360740895 /nfs/dbraw/zinc/74/08/95/360740895.db2.gz MYASNTGLGPVEIH-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN CN(C)c1ncc(CN[C@H]2C[C@@H](CO)C2)cn1 ZINC000631199853 360777988 /nfs/dbraw/zinc/77/79/88/360777988.db2.gz VSPAVPNAQWFFDC-JGZJWPJOSA-N 0 3 236.319 0.403 20 0 BCADHN COCCNCCNC(=O)N1CC=CCC1 ZINC000640328811 360841845 /nfs/dbraw/zinc/84/18/45/360841845.db2.gz NKDZUGMKAWLGRF-UHFFFAOYSA-N 0 3 227.308 0.194 20 0 BCADHN NC(=O)c1coc(CNC2CCC(O)CC2)c1 ZINC000353676862 181311829 /nfs/dbraw/zinc/31/18/29/181311829.db2.gz XJNRQYSPWLQSJY-UHFFFAOYSA-N 0 3 238.287 0.772 20 0 BCADHN C[C@H](O)[C@H]1CCN(C[C@H](O)C(F)(F)F)C1 ZINC000155030663 360853102 /nfs/dbraw/zinc/85/31/02/360853102.db2.gz ZABGKACVMMKPQQ-FXQIFTODSA-N 0 3 227.226 0.612 20 0 BCADHN NC(=O)c1ncn([C@H]2CCCN(C3CCC3)C2)n1 ZINC000365738245 181314385 /nfs/dbraw/zinc/31/43/85/181314385.db2.gz RYTHWKYXJMHPQD-JTQLQIEISA-N 0 3 249.318 0.566 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)N1CCN[C@H](C)[C@@H]1C 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ZINC000155739530 181353659 /nfs/dbraw/zinc/35/36/59/181353659.db2.gz PLIFRZGKHOERDY-VHSXEESVSA-N 0 3 208.236 0.757 20 0 BCADHN NCC(=O)NC[C@H]1OCCc2ccccc21 ZINC000378174218 181353888 /nfs/dbraw/zinc/35/38/88/181353888.db2.gz FEJSWPOWYUZTOI-LLVKDONJSA-N 0 3 220.272 0.375 20 0 BCADHN NCC(=O)NCc1ccc(Cl)s1 ZINC000070203860 181353946 /nfs/dbraw/zinc/35/39/46/181353946.db2.gz PSNPPVUXBIBJTE-UHFFFAOYSA-N 0 3 204.682 0.976 20 0 BCADHN COC(=O)[C@@H](NC(=O)CNC(C)C)C(C)C ZINC000037394744 363970928 /nfs/dbraw/zinc/97/09/28/363970928.db2.gz AQFKKGBZKPZTQM-JTQLQIEISA-N 0 3 230.308 0.298 20 0 BCADHN C[C@H](C(=O)N[C@H](CO)CN(C)C)C1CCC1 ZINC000614858819 364012983 /nfs/dbraw/zinc/01/29/83/364012983.db2.gz RSGXDMCVMPIBKG-ONGXEEELSA-N 0 3 228.336 0.461 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@]1(C)CC1(F)F ZINC000614858043 364013175 /nfs/dbraw/zinc/01/31/75/364013175.db2.gz LMQKICCPRGDSIG-APPZFPTMSA-N 0 3 236.262 0.070 20 0 BCADHN CO[C@H]1CC[C@H](C(=O)N[C@@H](C)CN(C)C)C1 ZINC000614838547 363990086 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ATDRRWSJKPWOGP-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN CCn1nncc1C(=O)NC(C)(C)CN(C)C ZINC000622098621 370707947 /nfs/dbraw/zinc/70/79/47/370707947.db2.gz KXGPONWTFSHVNY-UHFFFAOYSA-N 0 3 239.323 0.368 20 0 BCADHN CC[C@@H](C(=O)NC(C)(C)CN(C)C)[C@@H](C)O ZINC000622098953 370707963 /nfs/dbraw/zinc/70/79/63/370707963.db2.gz YFTJJKDEFHUIBY-NXEZZACHSA-N 0 3 230.352 0.850 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000067864571 370715341 /nfs/dbraw/zinc/71/53/41/370715341.db2.gz PMXKLSYDLYQQFX-KKZNHRDASA-N 0 3 208.305 0.995 20 0 BCADHN COCC[C@H](C)N1CCN(C[C@@H](C)O)CC1 ZINC000444684137 541342686 /nfs/dbraw/zinc/34/26/86/541342686.db2.gz KPFDOCDPJXATTN-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](CO)C1 ZINC000622225658 370776231 /nfs/dbraw/zinc/77/62/31/370776231.db2.gz MKWJNALBYXVBOK-NEPJUHHUSA-N 0 3 242.363 0.805 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](CO)C1 ZINC000622227968 370776631 /nfs/dbraw/zinc/77/66/31/370776631.db2.gz QDXYUAZGHOACSG-NWDGAFQWSA-N 0 3 242.363 0.804 20 0 BCADHN COC[C@@H](N)Cc1cn(CCC(C)C)nn1 ZINC000630587805 364295411 /nfs/dbraw/zinc/29/54/11/364295411.db2.gz OMZXFJFLDLFKOX-JTQLQIEISA-N 0 3 226.324 0.840 20 0 BCADHN COC[C@@H](N)Cc1cn(CCCCF)nn1 ZINC000630591478 364304710 /nfs/dbraw/zinc/30/47/10/364304710.db2.gz BXPJJIPNVJEDMK-VIFPVBQESA-N 0 3 230.287 0.544 20 0 BCADHN Cc1cc(Cn2cc(CCN(C)C)nn2)no1 ZINC000630599267 364316863 /nfs/dbraw/zinc/31/68/63/364316863.db2.gz PJYXBNPPJWOKAC-UHFFFAOYSA-N 0 3 235.291 0.727 20 0 BCADHN COC[C@H](N)Cc1cn(-c2ncccc2C)nn1 ZINC000630599472 364317530 /nfs/dbraw/zinc/31/75/30/364317530.db2.gz SLVNXFMLBMFMAR-SNVBAGLBSA-N 0 3 247.302 0.487 20 0 BCADHN CC(C)(C)c1cn(C[C@H]2CNCCO2)nn1 ZINC000630616241 364352640 /nfs/dbraw/zinc/35/26/40/364352640.db2.gz HDHSFLMHVLYIRP-SECBINFHSA-N 0 3 224.308 0.564 20 0 BCADHN COC(C)(C)c1cn(C[C@@H]2CNCCO2)nn1 ZINC000630617804 364352872 /nfs/dbraw/zinc/35/28/72/364352872.db2.gz WZNJSYPOQDSHRJ-VIFPVBQESA-N 0 3 240.307 0.148 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CCO[C@@H]1C ZINC000134540765 364405927 /nfs/dbraw/zinc/40/59/27/364405927.db2.gz ZFGDMWVRAYZKRL-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1CCO[C@@H]1C ZINC000133955638 364381078 /nfs/dbraw/zinc/38/10/78/364381078.db2.gz YFNJJOXMPIUNGC-YIZRAAEISA-N 0 3 200.282 0.278 20 0 BCADHN CCN(CC)C(=O)CN[C@H]1CCO[C@H]1C ZINC000134002635 364382323 /nfs/dbraw/zinc/38/23/23/364382323.db2.gz HLLYUOUCTUSHEL-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H](O)CN[C@@](C)(COC)CC(=O)OC ZINC000134033022 364384042 /nfs/dbraw/zinc/38/40/42/364384042.db2.gz WDJKOQNHJKZVEA-MWLCHTKSSA-N 0 3 233.308 0.315 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000134258036 364396666 /nfs/dbraw/zinc/39/66/66/364396666.db2.gz BCLSPITYSQHMSR-KXUCPTDWSA-N 0 3 214.309 0.653 20 0 BCADHN O=C(CN[C@@H]1CCSC1)NCC1CC1 ZINC000134619667 364408828 /nfs/dbraw/zinc/40/88/28/364408828.db2.gz PHQUTSNEEWICLN-SECBINFHSA-N 0 3 214.334 0.608 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C ZINC000134541350 364405185 /nfs/dbraw/zinc/40/51/85/364405185.db2.gz VBRLHCIFCHPGEM-LPEHRKFASA-N 0 3 214.309 0.667 20 0 BCADHN CNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000136046170 364456115 /nfs/dbraw/zinc/45/61/15/364456115.db2.gz OODINDWMPDDDKG-VIFPVBQESA-N 0 3 201.314 0.892 20 0 BCADHN COC[C@@H](O)CCN[C@H](C)c1c[nH]nc1C ZINC000134597594 541359040 /nfs/dbraw/zinc/35/90/40/541359040.db2.gz PGYPFTOGZUJILB-SCZZXKLOSA-N 0 3 227.308 0.766 20 0 BCADHN C[C@H](CNC(=O)c1csc(CO)n1)N(C)C ZINC000630717164 364494933 /nfs/dbraw/zinc/49/49/33/364494933.db2.gz VIIAQTYDDIEFLT-SSDOTTSWSA-N 0 3 243.332 0.315 20 0 BCADHN C[C@H](CNC(=O)c1cnn(C(F)F)c1)N(C)C ZINC000630717194 364496238 /nfs/dbraw/zinc/49/62/38/364496238.db2.gz VYLPJEVKRBOXIR-SSDOTTSWSA-N 0 3 246.261 0.958 20 0 BCADHN CC[C@H]1C[C@H](N[C@@H]2COCC[C@H]2O)CO1 ZINC000631271803 364553628 /nfs/dbraw/zinc/55/36/28/364553628.db2.gz IQLLGJCATSWRCE-UKKRHICBSA-N 0 3 215.293 0.293 20 0 BCADHN 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0.749 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCc1cc[nH]n1 ZINC000382960847 367572772 /nfs/dbraw/zinc/57/27/72/367572772.db2.gz OLWSSRDMUQDMII-SSDOTTSWSA-N 0 3 208.265 0.166 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCc1cc[nH]n1 ZINC000382960848 367574216 /nfs/dbraw/zinc/57/42/16/367574216.db2.gz OLWSSRDMUQDMII-ZETCQYMHSA-N 0 3 208.265 0.166 20 0 BCADHN CC(C)NC(=O)CCNC(=O)[C@H](C)NC1CC1 ZINC000382968129 367574943 /nfs/dbraw/zinc/57/49/43/367574943.db2.gz QKLQYOWONNLQKJ-VIFPVBQESA-N 0 3 241.335 0.158 20 0 BCADHN COC[C@H](O)CNC[C@@H](OC)c1ccccc1 ZINC000383161097 367601989 /nfs/dbraw/zinc/60/19/89/367601989.db2.gz KTBBFBJXLCEBFI-CHWSQXEVSA-N 0 3 239.315 0.971 20 0 BCADHN Cc1nc(CNC(=O)[C@H](C)NC2CC2)no1 ZINC000383201165 367605638 /nfs/dbraw/zinc/60/56/38/367605638.db2.gz WTCWUQPFRLCQCW-LURJTMIESA-N 0 3 224.264 0.135 20 0 BCADHN CCNC(=O)CN(CC)C(=O)[C@@H](C)NC1CC1 ZINC000383033503 367588362 /nfs/dbraw/zinc/58/83/62/367588362.db2.gz JHLPEEILTIWXKQ-SECBINFHSA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)[C@H](O)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000581583506 367607927 /nfs/dbraw/zinc/60/79/27/367607927.db2.gz FRHUBALIFBUSDP-QWRGUYRKSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@@H](CNCCc1ccncc1)S(C)(=O)=O ZINC000581602888 367627484 /nfs/dbraw/zinc/62/74/84/367627484.db2.gz YQOAOLJDRFFCHM-JTQLQIEISA-N 0 3 242.344 0.647 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H]1CC[C@@H]1SC ZINC000565833911 325962320 /nfs/dbraw/zinc/96/23/20/325962320.db2.gz MQYKGAIJUMWNHC-JLIMGVALSA-N 0 3 217.334 0.884 20 0 BCADHN CCN(C)C[C@@H](O)CN1C(=O)CC(C)(C)C1=O ZINC000383736130 367649935 /nfs/dbraw/zinc/64/99/35/367649935.db2.gz HRWCOFFRJLLGMG-SECBINFHSA-N 0 3 242.319 0.084 20 0 BCADHN CCOC[C@H](O)CN1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000384604654 367707836 /nfs/dbraw/zinc/70/78/36/367707836.db2.gz IPBWOQWPFRXEDQ-UTUOFQBUSA-N 0 3 243.347 0.741 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)Nc2cnc(C)nc2)C1 ZINC000384184116 367674804 /nfs/dbraw/zinc/67/48/04/367674804.db2.gz RMUFOBSNRKZJSW-VHSXEESVSA-N 0 3 236.275 0.100 20 0 BCADHN COc1ccc(CNCC2(CO)COC2)cn1 ZINC000384601358 367706794 /nfs/dbraw/zinc/70/67/94/367706794.db2.gz QWEQLFHETWUXAQ-UHFFFAOYSA-N 0 3 238.287 0.189 20 0 BCADHN C[C@@H]1C[C@H](NC[C@H](O)C(F)F)[C@H](C)O1 ZINC000384551263 367699206 /nfs/dbraw/zinc/69/92/06/367699206.db2.gz GFPZYCMQMOBXGU-KVPKETBZSA-N 0 3 209.236 0.768 20 0 BCADHN COC(=O)c1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000384759845 367727663 /nfs/dbraw/zinc/72/76/63/367727663.db2.gz VKIMANXZXYCQEH-SNVBAGLBSA-N 0 3 234.255 0.774 20 0 BCADHN COC(=O)CCCN1CCC[C@@H](O)[C@H]1C ZINC000384767161 367728185 /nfs/dbraw/zinc/72/81/85/367728185.db2.gz REICRRRWQYTYCZ-NXEZZACHSA-N 0 3 215.293 0.785 20 0 BCADHN COCC(COC)N[C@H](COC)C(C)C ZINC000384983369 367770307 /nfs/dbraw/zinc/77/03/07/367770307.db2.gz RFIXIVHEEAPEJQ-LLVKDONJSA-N 0 3 219.325 0.908 20 0 BCADHN CN(CC(=O)Nc1ccccc1)C(=O)[C@H]1CCN1 ZINC000384837333 367740455 /nfs/dbraw/zinc/74/04/55/367740455.db2.gz QBECOZUVOZVLFK-LLVKDONJSA-N 0 3 247.298 0.445 20 0 BCADHN CCOC1CC(NC(COC)COC)C1 ZINC000384850281 367742698 /nfs/dbraw/zinc/74/26/98/367742698.db2.gz LGMVWBPJVMHKNE-UHFFFAOYSA-N 0 3 217.309 0.805 20 0 BCADHN CCOC[C@H](O)CN1CCC[C@H](OCC)C1 ZINC000068950752 370864746 /nfs/dbraw/zinc/86/47/46/370864746.db2.gz MWSMHZFLGUTLFT-NEPJUHHUSA-N 0 3 231.336 0.885 20 0 BCADHN COCC(COC)N[C@H](C)[C@@H]1CCCO1 ZINC000384889981 367752103 /nfs/dbraw/zinc/75/21/03/367752103.db2.gz XSKHYWDGPLGOJY-KOLCDFICSA-N 0 3 217.309 0.805 20 0 BCADHN C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)C(=O)N(C)C ZINC000384927586 367758131 /nfs/dbraw/zinc/75/81/31/367758131.db2.gz RYXYXUDACQNHEL-IMSYWVGJSA-N 0 3 214.309 0.619 20 0 BCADHN C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)C(=O)N(C)C ZINC000384927591 367758970 /nfs/dbraw/zinc/75/89/70/367758970.db2.gz RYXYXUDACQNHEL-KYXWUPHJSA-N 0 3 214.309 0.619 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CC(=O)N(C)C2)[C@@H](C)O1 ZINC000384666975 367714395 /nfs/dbraw/zinc/71/43/95/367714395.db2.gz XCOFGYDIQVILAA-KYXWUPHJSA-N 0 3 212.293 0.373 20 0 BCADHN COCC(COC)N[C@@H](C)Cn1cccn1 ZINC000385038565 367777351 /nfs/dbraw/zinc/77/73/51/367777351.db2.gz MZYGKBAJKSRBHF-JTQLQIEISA-N 0 3 227.308 0.523 20 0 BCADHN COCC(COC)N[C@@H]1CCSC1 ZINC000385037389 367777869 /nfs/dbraw/zinc/77/78/69/367777869.db2.gz MMMZLUZUTMRDMI-MRVPVSSYSA-N 0 3 205.323 0.743 20 0 BCADHN C[C@H](CNC[C@H]1CCC(C)(C)O1)S(C)(=O)=O ZINC000566132787 326000971 /nfs/dbraw/zinc/00/09/71/326000971.db2.gz ZNIZDLDOWPJMLB-NXEZZACHSA-N 0 3 249.376 0.967 20 0 BCADHN CC(=O)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000385111914 367793676 /nfs/dbraw/zinc/79/36/76/367793676.db2.gz JEWOXWACMANEFY-IAZYJMLFSA-N 0 3 224.304 0.374 20 0 BCADHN CSCCNC(=O)C1(N)CCCC1 ZINC000069013521 370873433 /nfs/dbraw/zinc/87/34/33/370873433.db2.gz YCCGPAPQYXEHPD-UHFFFAOYSA-N 0 3 202.323 0.737 20 0 BCADHN Cc1ccc([O-])c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000385199067 367807499 /nfs/dbraw/zinc/80/74/99/367807499.db2.gz FGNTXSPIWUROAU-PWSUYJOCSA-N 0 3 233.315 0.889 20 0 BCADHN C[C@H]1[C@H](CO)CCN1Cc1cccc(C(N)=O)c1 ZINC000385690819 367856204 /nfs/dbraw/zinc/85/62/04/367856204.db2.gz JSSFXTWXNJIBQE-GWCFXTLKSA-N 0 3 248.326 0.988 20 0 BCADHN OCCCN(CCO)CCO[C@H]1CCCCO1 ZINC000385698917 367856248 /nfs/dbraw/zinc/85/62/48/367856248.db2.gz HVEIZGOLXLYWKV-LBPRGKRZSA-N 0 3 247.335 0.206 20 0 BCADHN OCCCN(CCO)CCO[C@@H]1CCCCO1 ZINC000385698916 367856340 /nfs/dbraw/zinc/85/63/40/367856340.db2.gz HVEIZGOLXLYWKV-GFCCVEGCSA-N 0 3 247.335 0.206 20 0 BCADHN CC[C@H]1[C@@H](CO)CCN1CC(=O)N(CC)CC ZINC000385744793 367860360 /nfs/dbraw/zinc/86/03/60/367860360.db2.gz CFHKHSJOTGFUHY-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CCc1cnccc1CNC[C@@H](O)COC ZINC000581813598 367829848 /nfs/dbraw/zinc/82/98/48/367829848.db2.gz WNXOOQMAFWZNMJ-GFCCVEGCSA-N 0 3 224.304 0.741 20 0 BCADHN COCC(COC)NCC1(O)CCC1 ZINC000385506227 367839185 /nfs/dbraw/zinc/83/91/85/367839185.db2.gz QXLQDRIRULLPGX-UHFFFAOYSA-N 0 3 203.282 0.152 20 0 BCADHN Cn1nncc1CN[C@@H](CO)C1CCCCC1 ZINC000386076578 367909266 /nfs/dbraw/zinc/90/92/66/367909266.db2.gz BGRVKHBUVVKBRH-LBPRGKRZSA-N 0 3 238.335 0.846 20 0 BCADHN CCN(CC(F)F)C(=O)[C@@H](CN)OC ZINC000386164924 367922633 /nfs/dbraw/zinc/92/26/33/367922633.db2.gz BVDYNOFVXIGMRZ-ZCFIWIBFSA-N 0 3 210.224 0.074 20 0 BCADHN CCCCCN[C@@]1(C(N)=O)CCOC1 ZINC000581892612 367883952 /nfs/dbraw/zinc/88/39/52/367883952.db2.gz QVZSTUMQOVKCSI-JTQLQIEISA-N 0 3 200.282 0.411 20 0 BCADHN CCCCCN[C@]1(C(N)=O)CCOC1 ZINC000581892613 367884126 /nfs/dbraw/zinc/88/41/26/367884126.db2.gz QVZSTUMQOVKCSI-SNVBAGLBSA-N 0 3 200.282 0.411 20 0 BCADHN C[C@@H]1CCN(CC(=O)N[C@@H]2CCOC[C@H]2C)C1 ZINC000581893442 367884409 /nfs/dbraw/zinc/88/44/09/367884409.db2.gz RLNKVKHVGGOAKB-IJLUTSLNSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@@H]1[C@@H](CO)CCN1CC(=O)NCC1CC1 ZINC000385952443 367890165 /nfs/dbraw/zinc/89/01/65/367890165.db2.gz XTZRZJSHHNZATB-VXGBXAGGSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H]1CN(C(=O)c2ncc[nH]2)CCN(C2CC2)C1 ZINC000615451386 367891644 /nfs/dbraw/zinc/89/16/44/367891644.db2.gz OUENYXAUQKLXPV-JTQLQIEISA-N 0 3 248.330 0.966 20 0 BCADHN NC(=O)NC(=O)CN1CCC[C@H]2CCCC[C@@H]21 ZINC000016417977 367951944 /nfs/dbraw/zinc/95/19/44/367951944.db2.gz VANRBHREONPITC-ZJUUUORDSA-N 0 3 239.319 0.836 20 0 BCADHN COC(=O)[C@H](C)CC(=O)NC[C@H]1CCCN1C ZINC000178196321 134304430 /nfs/dbraw/zinc/30/44/30/134304430.db2.gz WCHFYJXRPGYBIT-NXEZZACHSA-N 0 3 242.319 0.396 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H]1CCCS1 ZINC000087668591 367966069 /nfs/dbraw/zinc/96/60/69/367966069.db2.gz SUJLATQVGSIHQU-YUMQZZPRSA-N 0 3 202.323 0.606 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000581941978 367968726 /nfs/dbraw/zinc/96/87/26/367968726.db2.gz OQWARNIDVGVDTL-SNVBAGLBSA-N 0 3 236.319 0.853 20 0 BCADHN CC[C@H](NC[C@H](O)C(F)(F)F)[C@@H](C)O ZINC000386955732 368039438 /nfs/dbraw/zinc/03/94/38/368039438.db2.gz YGHRGEATQNGKFX-VQVTYTSYSA-N 0 3 215.215 0.659 20 0 BCADHN CCCN(CC(N)=O)C[C@H](C)COC ZINC000581980260 368041129 /nfs/dbraw/zinc/04/11/29/368041129.db2.gz ZFZAYQQJKULMAT-VIFPVBQESA-N 0 3 202.298 0.466 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000566296194 326030332 /nfs/dbraw/zinc/03/03/32/326030332.db2.gz WECZVTNXBORGAT-WDEREUQCSA-N 0 3 241.379 0.818 20 0 BCADHN C[C@H](CO)N(C)CCOC[C@@H]1CCCO1 ZINC000163183523 326033882 /nfs/dbraw/zinc/03/38/82/326033882.db2.gz ZPZKAHXZJKRTGN-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN C[NH+](C)CC1CN(C(=O)Cc2cncc([O-])c2)C1 ZINC000615507318 368082547 /nfs/dbraw/zinc/08/25/47/368082547.db2.gz YNCODTLFXBPEMS-UHFFFAOYSA-N 0 3 249.314 0.350 20 0 BCADHN CN(CCN1CCNC1=O)[C@@H]1CCCC[C@H]1O ZINC000252929554 368167116 /nfs/dbraw/zinc/16/71/16/368167116.db2.gz SKDSSLHUJMOTOS-GHMZBOCLSA-N 0 3 241.335 0.247 20 0 BCADHN CC[C@@]1(C)CCN(C(=O)CN2CCNCC2)C1 ZINC000399452621 368170682 /nfs/dbraw/zinc/17/06/82/368170682.db2.gz YVEROUGTJVDTIC-ZDUSSCGKSA-N 0 3 239.363 0.540 20 0 BCADHN CNC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)(C)C)NC ZINC000387410201 368172470 /nfs/dbraw/zinc/17/24/70/368172470.db2.gz CMPNWADOZDXAFZ-RKDXNWHRSA-N 0 3 243.351 0.261 20 0 BCADHN C[C@@H](NC(=O)CCOC1CNC1)C(C)(C)C ZINC000582010195 368149582 /nfs/dbraw/zinc/14/95/82/368149582.db2.gz JKTNMHBULAJGOE-SECBINFHSA-N 0 3 228.336 0.916 20 0 BCADHN CN(CCNC(=O)Cc1cncc(O)c1)C1CC1 ZINC000582013471 368151907 /nfs/dbraw/zinc/15/19/07/368151907.db2.gz NHSFHFQSUKVPKQ-UHFFFAOYSA-N 0 3 249.314 0.540 20 0 BCADHN C[N@H+](CCNC(=O)Cc1cncc([O-])c1)C1CC1 ZINC000582013471 368151914 /nfs/dbraw/zinc/15/19/14/368151914.db2.gz NHSFHFQSUKVPKQ-UHFFFAOYSA-N 0 3 249.314 0.540 20 0 BCADHN C[N@@H+](CCNC(=O)Cc1cncc([O-])c1)C1CC1 ZINC000582013471 368151923 /nfs/dbraw/zinc/15/19/23/368151923.db2.gz NHSFHFQSUKVPKQ-UHFFFAOYSA-N 0 3 249.314 0.540 20 0 BCADHN CN1CCC(CC(=O)N2CCOC2)CC1 ZINC000615765214 368291215 /nfs/dbraw/zinc/29/12/15/368291215.db2.gz VMINZPSQZFEHRR-UHFFFAOYSA-N 0 3 212.293 0.535 20 0 BCADHN C[C@@H]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000566451174 326049676 /nfs/dbraw/zinc/04/96/76/326049676.db2.gz AQPYJIWTHKJFEV-WYUUTHIRSA-N 0 3 240.347 0.556 20 0 BCADHN OC[C@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC000095078713 368337162 /nfs/dbraw/zinc/33/71/62/368337162.db2.gz PAZOUOCFOKZLSA-CHWSQXEVSA-N 0 3 221.300 0.862 20 0 BCADHN C[C@@H](CCO)NC(=O)NCC1(N(C)C)CCC1 ZINC000446618574 201689848 /nfs/dbraw/zinc/68/98/48/201689848.db2.gz WWLLBXUYKOBOJJ-JTQLQIEISA-N 0 3 243.351 0.541 20 0 BCADHN CCCCN(CC(=O)NC(N)=O)C1CC1 ZINC000046602863 368447703 /nfs/dbraw/zinc/44/77/03/368447703.db2.gz LFFNZMPYYCBPJV-UHFFFAOYSA-N 0 3 213.281 0.446 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CC[C@@H](OC(C)C)C1 ZINC000566736109 326077866 /nfs/dbraw/zinc/07/78/66/326077866.db2.gz VMBNMLQIZZGUGO-NEPJUHHUSA-N 0 3 229.320 0.826 20 0 BCADHN CN(C)C(=O)CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253094647 368480078 /nfs/dbraw/zinc/48/00/78/368480078.db2.gz NVTDCELLISMLPX-QJPTWQEYSA-N 0 3 240.347 0.700 20 0 BCADHN CN(C)C(=O)CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253094648 368480261 /nfs/dbraw/zinc/48/02/61/368480261.db2.gz NVTDCELLISMLPX-UTUOFQBUSA-N 0 3 240.347 0.700 20 0 BCADHN CCc1c(C(=O)NC[C@@H](C)N(C)C)cnn1C ZINC000642563510 368487235 /nfs/dbraw/zinc/48/72/35/368487235.db2.gz NOWFQPBJEIKAHR-SECBINFHSA-N 0 3 238.335 0.662 20 0 BCADHN CCOCCO[C@@H](C)C(=O)NC[C@@H](C)N(C)C ZINC000057470216 368493293 /nfs/dbraw/zinc/49/32/93/368493293.db2.gz PAVQNKYPNMWPQC-MNOVXSKESA-N 0 3 246.351 0.494 20 0 BCADHN CNC(=O)NC(=O)CN(C1CC1)C1CCCC1 ZINC000057619737 368497592 /nfs/dbraw/zinc/49/75/92/368497592.db2.gz YTVNLBHDMQYPBP-UHFFFAOYSA-N 0 3 239.319 0.849 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)c3ncccc3F)C[C@@H]21 ZINC000615850684 368534487 /nfs/dbraw/zinc/53/44/87/368534487.db2.gz PWFGJKGUBWRHJH-KOLCDFICSA-N 0 3 249.289 0.997 20 0 BCADHN CCN(CC)CC(=O)N(C)[C@@H](C)C(C)(C)O ZINC000456110517 202910124 /nfs/dbraw/zinc/91/01/24/202910124.db2.gz WSMCZVBPZRIFPU-JTQLQIEISA-N 0 3 230.352 0.946 20 0 BCADHN COCCCCNC(=O)CN(C)C(C)C ZINC000060161930 368536570 /nfs/dbraw/zinc/53/65/70/368536570.db2.gz BUUWKVZFWSTGCT-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN 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242.363 0.851 20 0 BCADHN CC[C@H](C(=O)N1C[C@H](C)C(O)[C@@H](C)C1)N(C)C ZINC000618270595 369106327 /nfs/dbraw/zinc/10/63/27/369106327.db2.gz KMGSTENGCPZKJN-GARJFASQSA-N 0 3 242.363 0.802 20 0 BCADHN CC[C@@H](O)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000618400115 369136216 /nfs/dbraw/zinc/13/62/16/369136216.db2.gz UTKAKHRUFITYES-OUAUKWLOSA-N 0 3 228.336 0.746 20 0 BCADHN CCN(C)CCNC(=O)N[C@H]1CCOC1(C)C ZINC000458005366 203122528 /nfs/dbraw/zinc/12/25/28/203122528.db2.gz BOKOUGWXGMEGGY-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN CCN(C(=O)NC[C@H]1CCCN1C)C1COC1 ZINC000457990016 203122936 /nfs/dbraw/zinc/12/29/36/203122936.db2.gz AYDWEGYCKNYFEB-SNVBAGLBSA-N 0 3 241.335 0.511 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H]1COCC1(C)C ZINC000458005282 203125489 /nfs/dbraw/zinc/12/54/89/203125489.db2.gz BCCPSGVEJRDTPK-SNVBAGLBSA-N 0 3 243.351 0.662 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)c1ccn(C)n1 ZINC000458262308 203152459 /nfs/dbraw/zinc/15/24/59/203152459.db2.gz MPOJSZGTDBMPCG-SNVBAGLBSA-N 0 3 238.335 0.939 20 0 BCADHN 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O=C(NCc1cc[nH]n1)[C@@H]1CCCCN1 ZINC000041016269 182248777 /nfs/dbraw/zinc/24/87/77/182248777.db2.gz RYPLLSXRBNOKQS-VIFPVBQESA-N 0 3 208.265 0.168 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC000175109567 374291107 /nfs/dbraw/zinc/29/11/07/374291107.db2.gz REJGJLQXYHYFTN-NSHDSACASA-N 0 3 236.319 0.553 20 0 BCADHN CCOC[C@@H](N[C@@H](CC)C(N)=O)C(C)C ZINC000189815428 206016536 /nfs/dbraw/zinc/01/65/36/206016536.db2.gz SYNNNDDNHCAZPY-VHSXEESVSA-N 0 3 216.325 0.901 20 0 BCADHN O=C(NCc1cscn1)[C@@]1(F)CCNC1 ZINC000370778888 182271483 /nfs/dbraw/zinc/27/14/83/182271483.db2.gz HZGPXUDSHVDPIT-SECBINFHSA-N 0 3 229.280 0.461 20 0 BCADHN O=C([N-]OCC(F)(F)F)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364559221 182281797 /nfs/dbraw/zinc/28/17/97/182281797.db2.gz KUHGASJPEYAYET-SVRRBLITSA-N 0 3 238.209 0.596 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1C[C@@H]1N)c1nnc2ccccn21 ZINC000424132603 206032416 /nfs/dbraw/zinc/03/24/16/206032416.db2.gz HYUCPIKYHFGMKC-HLTSFMKQSA-N 0 3 245.286 0.254 20 0 BCADHN CCSCC[C@H](C)NC(=O)[C@@H]1C[C@@H]1N ZINC000424132309 206033712 /nfs/dbraw/zinc/03/37/12/206033712.db2.gz WEGGNQHQYGPFJO-YIZRAAEISA-N 0 3 216.350 0.982 20 0 BCADHN CCCC[C@H](COC)NC(=O)[C@@H]1C[C@@H]1N ZINC000424124826 206033743 /nfs/dbraw/zinc/03/37/43/206033743.db2.gz MUNDOPVSNKYDSU-BBBLOLIVSA-N 0 3 214.309 0.655 20 0 BCADHN O=C(N[C@@H]1CCC[NH2+]C1)c1ccccc1[O-] ZINC000019273832 182294597 /nfs/dbraw/zinc/29/45/97/182294597.db2.gz XQOKMZIBBSKIJX-SECBINFHSA-N 0 3 220.272 0.874 20 0 BCADHN O=C(N[C@@H]1CCOC1)c1ccc2c(c1)CNC2 ZINC000131201396 182305491 /nfs/dbraw/zinc/30/54/91/182305491.db2.gz YPOWWAOPKCDHAB-GFCCVEGCSA-N 0 3 232.283 0.809 20 0 BCADHN CC[C@@H](C(N)=O)N1CCCN(C(C)C)CC1 ZINC000428241622 206059250 /nfs/dbraw/zinc/05/92/50/206059250.db2.gz RMOVNWDBFLTKOZ-NSHDSACASA-N 0 3 227.352 0.666 20 0 BCADHN CC[C@H](C(N)=O)N1CCCN(C(C)C)CC1 ZINC000428241620 206059623 /nfs/dbraw/zinc/05/96/23/206059623.db2.gz RMOVNWDBFLTKOZ-LLVKDONJSA-N 0 3 227.352 0.666 20 0 BCADHN COCCOC[C@@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000429987418 206061977 /nfs/dbraw/zinc/06/19/77/206061977.db2.gz CVDXTPHRQJVIRT-MNOVXSKESA-N 0 3 244.335 0.296 20 0 BCADHN CCN1C[C@H](N[C@@H]2CCCN(C)C2=O)[C@@H](C)C1 ZINC000361969628 170036801 /nfs/dbraw/zinc/03/68/01/170036801.db2.gz CEGUZYHDLRIJFT-TUAOUCFPSA-N 0 3 239.363 0.537 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000448565134 206066307 /nfs/dbraw/zinc/06/63/07/206066307.db2.gz UNPILXVRGLMLIX-RNFRBKRXSA-N 0 3 224.226 0.863 20 0 BCADHN CC[C@H](O)CN(C)CCNC(=O)C(C)C ZINC000157320140 206082328 /nfs/dbraw/zinc/08/23/28/206082328.db2.gz LNDFKVWJUJYAKS-JTQLQIEISA-N 0 3 216.325 0.461 20 0 BCADHN CO[C@H](C)C(=O)NC[C@H]1CCCN1C ZINC000194688029 206105453 /nfs/dbraw/zinc/10/54/53/206105453.db2.gz XTQPLOJLTCHZBC-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN CO[C@@H](C)C(=O)NC[C@H]1CCCN1C ZINC000194688014 206105592 /nfs/dbraw/zinc/10/55/92/206105592.db2.gz XTQPLOJLTCHZBC-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN O=C(N[C@H](CO)CN1CCCCC1)C1CC1 ZINC000331837519 182324663 /nfs/dbraw/zinc/32/46/63/182324663.db2.gz KKIBUVJIBKXKHX-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cncc([O-])c1 ZINC000104413963 182333916 /nfs/dbraw/zinc/33/39/16/182333916.db2.gz OFQAWBOVZQXHDT-JTQLQIEISA-N 0 3 247.298 0.754 20 0 BCADHN O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cncc([O-])c1 ZINC000104413963 182333918 /nfs/dbraw/zinc/33/39/18/182333918.db2.gz OFQAWBOVZQXHDT-JTQLQIEISA-N 0 3 247.298 0.754 20 0 BCADHN CCn1ccnc1C(=O)NC(C)(C)CN(C)C ZINC000457207298 206120292 /nfs/dbraw/zinc/12/02/92/206120292.db2.gz BTEMZUJAKLYCQM-UHFFFAOYSA-N 0 3 238.335 0.973 20 0 BCADHN CCN1C[C@@H](C)N(Cc2cnnn2C)[C@H](C)C1 ZINC000459469135 206127206 /nfs/dbraw/zinc/12/72/06/206127206.db2.gz UQAMBSYDJDCFEX-GHMZBOCLSA-N 0 3 237.351 0.730 20 0 BCADHN COC(=O)[C@H]1CCN(CCc2cn[nH]c2)[C@@H]1C ZINC000459426051 206126220 /nfs/dbraw/zinc/12/62/20/206126220.db2.gz HZOWPTORNZMPEV-KOLCDFICSA-N 0 3 237.303 0.836 20 0 BCADHN CCN1C[C@H](C)N(Cc2cnnn2C)[C@@H](C)C1 ZINC000459469139 206127817 /nfs/dbraw/zinc/12/78/17/206127817.db2.gz UQAMBSYDJDCFEX-QWRGUYRKSA-N 0 3 237.351 0.730 20 0 BCADHN O=C(Nc1ccc(F)cc1F)[C@@H]1C[C@@H](O)CN1 ZINC000020434351 182356870 /nfs/dbraw/zinc/35/68/70/182356870.db2.gz YAOACKYMEZKHJE-XCBNKYQSSA-N 0 3 242.225 0.626 20 0 BCADHN O=C(Nc1ccc(F)c(F)c1)[C@@H]1C[C@@H](O)CN1 ZINC000020434259 182356035 /nfs/dbraw/zinc/35/60/35/182356035.db2.gz CNMXCDRRXSPZFX-XCBNKYQSSA-N 0 3 242.225 0.626 20 0 BCADHN CCN1C[C@@H](C)N(Cc2cnnn2C)[C@@H](C)C1 ZINC000459469138 206129417 /nfs/dbraw/zinc/12/94/17/206129417.db2.gz UQAMBSYDJDCFEX-PHIMTYICSA-N 0 3 237.351 0.730 20 0 BCADHN O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](O)CN1 ZINC000020434310 182356599 /nfs/dbraw/zinc/35/65/99/182356599.db2.gz SICGMRDRXCIDDI-UWVGGRQHSA-N 0 3 224.235 0.487 20 0 BCADHN O=C(Nc1ccc(F)cn1)[C@]1(F)CCNC1 ZINC000370763364 182357968 /nfs/dbraw/zinc/35/79/68/182357968.db2.gz JRGNOJHRYYUXAX-JTQLQIEISA-N 0 3 227.214 0.861 20 0 BCADHN O=C(Nc1ccc(F)cn1)[C@@]1(F)CCNC1 ZINC000370763365 182358222 /nfs/dbraw/zinc/35/82/22/182358222.db2.gz JRGNOJHRYYUXAX-SNVBAGLBSA-N 0 3 227.214 0.861 20 0 BCADHN O=C(Nc1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)CN1 ZINC000037045152 182363945 /nfs/dbraw/zinc/36/39/45/182363945.db2.gz PFMNUFJUSJDTSJ-GHMZBOCLSA-N 0 3 248.282 0.283 20 0 BCADHN O=C(Nc1cccc2[nH]cnc21)[C@H]1CCN1 ZINC000336597620 182374540 /nfs/dbraw/zinc/37/45/40/182374540.db2.gz BJSDPYXORDKWHV-SECBINFHSA-N 0 3 216.244 0.863 20 0 BCADHN O=C(Nc1cccc(F)c1)[C@H]1C[C@H](O)CN1 ZINC000020434284 182370104 /nfs/dbraw/zinc/37/01/04/182370104.db2.gz CCUURNCJKGKYMV-VHSXEESVSA-N 0 3 224.235 0.487 20 0 BCADHN CCNC(=O)CN(CCO)[C@H](C)CC ZINC000308542628 170059196 /nfs/dbraw/zinc/05/91/96/170059196.db2.gz OLFYTLJFYLMHNJ-SECBINFHSA-N 0 3 202.298 0.215 20 0 BCADHN O=C(Nc1cncnc1)N1CCN2CCC[C@H]2C1 ZINC000274402718 182394583 /nfs/dbraw/zinc/39/45/83/182394583.db2.gz ZDMGHQQQGIPNMR-NSHDSACASA-N 0 3 247.302 0.789 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)[C@@H](C)OC)N(C)C ZINC000191456787 259574488 /nfs/dbraw/zinc/57/44/88/259574488.db2.gz PWGPBKIVXWWYND-AEJSXWLSSA-N 0 3 216.325 0.866 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@@H]1CCOC1(C)C ZINC000336887872 170089497 /nfs/dbraw/zinc/08/94/97/170089497.db2.gz DMPIGGSCWNIAPY-RKDXNWHRSA-N 0 3 214.309 0.668 20 0 BCADHN CCOC(=O)CCN1CCC[C@@H]1CO ZINC000042433076 170206305 /nfs/dbraw/zinc/20/63/05/170206305.db2.gz QYFQQEBRUUAEJU-SECBINFHSA-N 0 3 201.266 0.396 20 0 BCADHN CN(C(=O)[C@]1(F)CCNC1)c1cccnc1 ZINC000178796121 134311229 /nfs/dbraw/zinc/31/12/29/134311229.db2.gz XLHBWOPYAHGJEH-NSHDSACASA-N 0 3 223.251 0.746 20 0 BCADHN CCOCCCN(C)[C@H]1COC[C@@H]1O ZINC000352794856 170371058 /nfs/dbraw/zinc/37/10/58/170371058.db2.gz RWORQSTUFMHBAK-UWVGGRQHSA-N 0 3 203.282 0.105 20 0 BCADHN CCOCCN(C)CCNC(=O)N(C)C ZINC000355071933 170388636 /nfs/dbraw/zinc/38/86/36/170388636.db2.gz RJLOYWADPPUNPS-UHFFFAOYSA-N 0 3 217.313 0.226 20 0 BCADHN OC1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000283974684 183029350 /nfs/dbraw/zinc/02/93/50/183029350.db2.gz JBBXMEJRIXUVJS-UHFFFAOYSA-N 0 3 232.287 0.915 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCCC(=O)OC ZINC000040832174 168966286 /nfs/dbraw/zinc/96/62/86/168966286.db2.gz FZAAGJSVQLHHHT-SECBINFHSA-N 0 3 230.308 0.573 20 0 BCADHN O=C1NCCC[C@H]1N1CCC[C@H](O)CC1 ZINC000328814787 183024764 /nfs/dbraw/zinc/02/47/64/183024764.db2.gz OBKYZCYQNLXCFX-VHSXEESVSA-N 0 3 212.293 0.952 20 0 BCADHN OCCCCN(CCO)Cc1cccnc1 ZINC000268685270 183049488 /nfs/dbraw/zinc/04/94/88/183049488.db2.gz NKSPWYONIDLLDA-UHFFFAOYSA-N 0 3 224.304 0.648 20 0 BCADHN OCC(CO)NCc1ccc(-n2ccnc2)cc1 ZINC000087749437 183033994 /nfs/dbraw/zinc/03/39/94/183033994.db2.gz DKRSNLXOHPINLM-UHFFFAOYSA-N 0 3 247.298 0.315 20 0 BCADHN OCC(CO)NCc1cccc(Cl)c1 ZINC000083691565 183034233 /nfs/dbraw/zinc/03/42/33/183034233.db2.gz SRYKTRUKCAHGES-UHFFFAOYSA-N 0 3 215.680 0.783 20 0 BCADHN OCCCCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000336654369 183051461 /nfs/dbraw/zinc/05/14/61/183051461.db2.gz ZVOBLXKVCWFEKM-QMMMGPOBSA-N 0 3 227.226 0.758 20 0 BCADHN OCCCN1CCC(c2cn[nH]c2)CC1 ZINC000364095427 183054805 /nfs/dbraw/zinc/05/48/05/183054805.db2.gz NRPJBCFELXAOHA-UHFFFAOYSA-N 0 3 209.293 0.972 20 0 BCADHN OCCCN1CCS[C@@H]2COCC[C@@H]21 ZINC000305103098 183056290 /nfs/dbraw/zinc/05/62/90/183056290.db2.gz APSLRLZCJIDPOU-VHSXEESVSA-N 0 3 217.334 0.575 20 0 BCADHN OCCN(CCO)CCCOc1ccccc1 ZINC000034564721 183065500 /nfs/dbraw/zinc/06/55/00/183065500.db2.gz DPSFVRWDVCJXKC-UHFFFAOYSA-N 0 3 239.315 0.742 20 0 BCADHN OCCN(CCO)C[C@@H](O)c1ccc(F)cc1 ZINC000062350495 183066876 /nfs/dbraw/zinc/06/68/76/183066876.db2.gz XCHSJQCNYZSEAP-GFCCVEGCSA-N 0 3 243.278 0.146 20 0 BCADHN OCC[C@H](NCCn1cncn1)c1ccccc1 ZINC000341230213 183097257 /nfs/dbraw/zinc/09/72/57/183097257.db2.gz ROKOVPYSCALDJL-ZDUSSCGKSA-N 0 3 246.314 0.991 20 0 BCADHN OCCN1CCCC[C@H]1Cn1ccnn1 ZINC000369379887 183072424 /nfs/dbraw/zinc/07/24/24/183072424.db2.gz PRGCXTUOOXDMEE-JTQLQIEISA-N 0 3 210.281 0.125 20 0 BCADHN OCC[C@H](NCc1cc[nH]n1)C1CCOCC1 ZINC000359649250 183097538 /nfs/dbraw/zinc/09/75/38/183097538.db2.gz FQEBWLCVDJKDEQ-LBPRGKRZSA-N 0 3 239.319 0.677 20 0 BCADHN OCCN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000177736675 183074635 /nfs/dbraw/zinc/07/46/35/183074635.db2.gz DVSGKBBJUYMNLF-LLVKDONJSA-N 0 3 246.314 0.901 20 0 BCADHN OCCN[C@H]1c2ccccc2CC[C@H]1CO ZINC000364586524 183081248 /nfs/dbraw/zinc/08/12/48/183081248.db2.gz YPBKTYLBVSXUEW-WCQYABFASA-N 0 3 221.300 0.864 20 0 BCADHN OCCOCCNC/C=C\c1ccncc1 ZINC000336672021 183083684 /nfs/dbraw/zinc/08/36/84/183083684.db2.gz IVWNYRFHXTWWMZ-UPHRSURJSA-N 0 3 222.288 0.693 20 0 BCADHN OCC[C@@H]1CSCCN1CCn1cccn1 ZINC000336677253 183095286 /nfs/dbraw/zinc/09/52/86/183095286.db2.gz NMBIDIOHNAPHQU-LLVKDONJSA-N 0 3 241.360 0.683 20 0 BCADHN OC[C@@H](O)CNCc1ccc(Cl)c(F)c1 ZINC000083360421 183111531 /nfs/dbraw/zinc/11/15/31/183111531.db2.gz OKPIABUIMPHLQG-QMMMGPOBSA-N 0 3 233.670 0.922 20 0 BCADHN CCCC[C@H](N)C(=O)N(C)CC(=O)NC1CC1 ZINC000037619468 169005537 /nfs/dbraw/zinc/00/55/37/169005537.db2.gz 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ZINC000300982971 183243374 /nfs/dbraw/zinc/24/33/74/183243374.db2.gz SGGABPKQAHIUHD-LPEHRKFASA-N 0 3 235.274 0.849 20 0 BCADHN CCCN(CC)C(=O)[C@H]1CN2CCN1CCC2 ZINC000371237296 169117321 /nfs/dbraw/zinc/11/73/21/169117321.db2.gz BLEJCUGXFWFSMZ-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN CCCN(CC)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000346284546 169121543 /nfs/dbraw/zinc/12/15/43/169121543.db2.gz AVQQNQAOFVGTGH-SNVBAGLBSA-N 0 3 243.351 0.311 20 0 BCADHN CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000291025067 169125372 /nfs/dbraw/zinc/12/53/72/169125372.db2.gz SUIBYPAVPZKBDN-SECBINFHSA-N 0 3 239.323 0.655 20 0 BCADHN CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000291025067 169125373 /nfs/dbraw/zinc/12/53/73/169125373.db2.gz SUIBYPAVPZKBDN-SECBINFHSA-N 0 3 239.323 0.655 20 0 BCADHN CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000291025067 169125375 /nfs/dbraw/zinc/12/53/75/169125375.db2.gz SUIBYPAVPZKBDN-SECBINFHSA-N 0 3 239.323 0.655 20 0 BCADHN CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000291025067 169125377 /nfs/dbraw/zinc/12/53/77/169125377.db2.gz SUIBYPAVPZKBDN-SECBINFHSA-N 0 3 239.323 0.655 20 0 BCADHN CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000291025067 169125380 /nfs/dbraw/zinc/12/53/80/169125380.db2.gz SUIBYPAVPZKBDN-SECBINFHSA-N 0 3 239.323 0.655 20 0 BCADHN CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000291025067 169125381 /nfs/dbraw/zinc/12/53/81/169125381.db2.gz SUIBYPAVPZKBDN-SECBINFHSA-N 0 3 239.323 0.655 20 0 BCADHN CCCN(CC(F)F)C(=O)[C@H](CN)OC ZINC000336741295 169106752 /nfs/dbraw/zinc/10/67/52/169106752.db2.gz NCJGSNJKWYMPRK-ZETCQYMHSA-N 0 3 224.251 0.464 20 0 BCADHN O[C@H]1CCC[C@@H]1N1CCN(CCCF)CC1 ZINC000372045401 183236620 /nfs/dbraw/zinc/23/66/20/183236620.db2.gz CBDHCEFQGTZIBS-RYUDHWBXSA-N 0 3 230.327 0.877 20 0 BCADHN CCCN(CC(F)F)C(=O)[C@@H](CN)OC ZINC000336741294 169107194 /nfs/dbraw/zinc/10/71/94/169107194.db2.gz NCJGSNJKWYMPRK-SSDOTTSWSA-N 0 3 224.251 0.464 20 0 BCADHN CCCN(CCC)[C@@H](C)C(=O)NC(N)=O ZINC000332520841 169151325 /nfs/dbraw/zinc/15/13/25/169151325.db2.gz RNPBRTYZLSFSKL-QMMMGPOBSA-N 0 3 215.297 0.692 20 0 BCADHN CCCN(CC)C[C@H](C)NS(C)(=O)=O ZINC000352565581 169127979 /nfs/dbraw/zinc/12/79/79/169127979.db2.gz OVNGDPSVKUYNPP-VIFPVBQESA-N 0 3 222.354 0.656 20 0 BCADHN CCCN(CCCOCC)CC(=O)NC ZINC000120175942 169156875 /nfs/dbraw/zinc/15/68/75/169156875.db2.gz ZGXAODPWMRQMFI-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1cc[nH]n1 ZINC000330524334 169157503 /nfs/dbraw/zinc/15/75/03/169157503.db2.gz NUDHEFLVRNDWLB-UHFFFAOYSA-N 0 3 224.308 0.824 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1ccn[nH]1 ZINC000330524334 169157505 /nfs/dbraw/zinc/15/75/05/169157505.db2.gz NUDHEFLVRNDWLB-UHFFFAOYSA-N 0 3 224.308 0.824 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1cnns1 ZINC000101693712 169158082 /nfs/dbraw/zinc/15/80/82/169158082.db2.gz NVVKEDDLHTZUBB-UHFFFAOYSA-N 0 3 242.348 0.952 20 0 BCADHN CCCN(CCN1CCCC1)C(=O)CN(C)C ZINC000342190807 169158441 /nfs/dbraw/zinc/15/84/41/169158441.db2.gz IPYSEMRARWRLNB-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@@H](C)NC(C)=O ZINC000123834697 169158510 /nfs/dbraw/zinc/15/85/10/169158510.db2.gz UFBQVJXWLFVXBU-SNVBAGLBSA-N 0 3 243.351 0.311 20 0 BCADHN CCCN(CCN1CCCC1)CC(N)=O ZINC000352890224 169158535 /nfs/dbraw/zinc/15/85/35/169158535.db2.gz XHXKYMSJPNNIFJ-UHFFFAOYSA-N 0 3 213.325 0.280 20 0 BCADHN CCCN(CCO)C(=O)[C@H](CC)N(C)C ZINC000342015454 169162609 /nfs/dbraw/zinc/16/26/09/169162609.db2.gz VOEPCFVPMTWSBD-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN CCCN(CCO)Cc1cnn(C)c1C ZINC000268960683 169166931 /nfs/dbraw/zinc/16/69/31/169166931.db2.gz XMKUJUZEBSAJLA-UHFFFAOYSA-N 0 3 211.309 0.933 20 0 BCADHN c1cc(-c2noc(C[C@@H]3CNCCO3)n2)ccn1 ZINC000091294805 183333355 /nfs/dbraw/zinc/33/33/55/183333355.db2.gz PHGZGVDQXFWOAO-SNVBAGLBSA-N 0 3 246.270 0.663 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CC(OC)C1 ZINC000358118777 169194296 /nfs/dbraw/zinc/19/42/96/169194296.db2.gz HGVWWNKHMLOGMD-LLVKDONJSA-N 0 3 226.320 0.718 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000352765346 169194607 /nfs/dbraw/zinc/19/46/07/169194607.db2.gz NEGAOEOEQQTUIK-TUAOUCFPSA-N 0 3 240.347 0.700 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NC[C@@H](O)CC ZINC000330676327 169194859 /nfs/dbraw/zinc/19/48/59/169194859.db2.gz UDNFUBWGBONNMT-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)OC ZINC000330626515 169194937 /nfs/dbraw/zinc/19/49/37/169194937.db2.gz IYHRKWXNBMVUFW-VHSXEESVSA-N 0 3 242.319 0.539 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CC[C@@H](CO)C1 ZINC000340317375 169195593 /nfs/dbraw/zinc/19/55/93/169195593.db2.gz PTNINTVOTNDELY-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN CCCN1CCC[C@@H]1CNS(C)(=O)=O ZINC000352491886 169197336 /nfs/dbraw/zinc/19/73/36/169197336.db2.gz SVEGEGATDGMBPB-SECBINFHSA-N 0 3 220.338 0.410 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCCCO ZINC000330681902 169197800 /nfs/dbraw/zinc/19/78/00/169197800.db2.gz GWWBLULIEIKZBV-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N[C@@H](C)CCO ZINC000330484454 169199495 /nfs/dbraw/zinc/19/94/95/169199495.db2.gz XTQGQXAYQMQJFC-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN CCCN1CCC[C@H]1CNS(C)(=O)=O ZINC000352491887 169200207 /nfs/dbraw/zinc/20/02/07/169200207.db2.gz SVEGEGATDGMBPB-VIFPVBQESA-N 0 3 220.338 0.410 20 0 BCADHN CCCN1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC000338273496 169201642 /nfs/dbraw/zinc/20/16/42/169201642.db2.gz FWAWOLUDIGJHRX-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CCCNC(=O)CN1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000331285377 169223203 /nfs/dbraw/zinc/22/32/03/169223203.db2.gz LPDNDMBSUBBAFE-QJPTWQEYSA-N 0 3 242.363 0.994 20 0 BCADHN CCCNC(=O)CN[C@@H](C)[C@H](C)C(=O)OCC ZINC000338296336 169227514 /nfs/dbraw/zinc/22/75/14/169227514.db2.gz JRYNITKCXUJCDT-UWVGGRQHSA-N 0 3 244.335 0.690 20 0 BCADHN CCCN1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000371853652 169207012 /nfs/dbraw/zinc/20/70/12/169207012.db2.gz SKYHUANPKVTRGL-SECBINFHSA-N 0 3 238.291 0.722 20 0 BCADHN CCCN1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120914638 169209045 /nfs/dbraw/zinc/20/90/45/169209045.db2.gz XWLKNTPICYVOEC-JTQLQIEISA-N 0 3 232.349 0.553 20 0 BCADHN CCCNC(=O)CCC(=O)N(C)CCN(C)C ZINC000353613217 169214067 /nfs/dbraw/zinc/21/40/67/169214067.db2.gz DGRGROOGUJDZPZ-UHFFFAOYSA-N 0 3 243.351 0.313 20 0 BCADHN CCCNC(=O)CN1CCCC[C@@H]1CC(N)=O ZINC000120578255 169220509 /nfs/dbraw/zinc/22/05/09/169220509.db2.gz KEYCTYKLRVPSGT-SNVBAGLBSA-N 0 3 241.335 0.243 20 0 BCADHN CCCNC(=O)CN(CCC)C[C@H](C)O ZINC000337142850 169221510 /nfs/dbraw/zinc/22/15/10/169221510.db2.gz USJBAMPBPJOJAP-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN CCCNC(=O)CN1CCCC[C@H]1CC(N)=O ZINC000120578398 169221636 /nfs/dbraw/zinc/22/16/36/169221636.db2.gz KEYCTYKLRVPSGT-JTQLQIEISA-N 0 3 241.335 0.243 20 0 BCADHN CCCNC(=O)CN1CC[C@H](C)[C@H]1CO ZINC000248907475 169222402 /nfs/dbraw/zinc/22/24/02/169222402.db2.gz IHKQWICODZBDKS-VHSXEESVSA-N 0 3 214.309 0.215 20 0 BCADHN CCCNC(=O)CN1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000375031642 169222577 /nfs/dbraw/zinc/22/25/77/169222577.db2.gz OTYOUMANEJQTEC-NWDGAFQWSA-N 0 3 239.363 0.539 20 0 BCADHN CCCNC(=O)CN1CCC[C@H]1C(C)(C)O ZINC000305203294 169222686 /nfs/dbraw/zinc/22/26/86/169222686.db2.gz WYAIDSNRAKBKRQ-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CCCNC(=O)NC(=O)CN1C[C@H](C)C[C@@H]1C ZINC000354204233 169236921 /nfs/dbraw/zinc/23/69/21/169236921.db2.gz DMWHNTOTIHOSPS-ZJUUUORDSA-N 0 3 241.335 0.953 20 0 BCADHN CCCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000341457678 169239352 /nfs/dbraw/zinc/23/93/52/169239352.db2.gz QNSKNKPSDOOZEX-JTQLQIEISA-N 0 3 229.324 0.416 20 0 BCADHN CCCNC(=O)[C@@H](C)N(C)CC1(O)CCC1 ZINC000353479914 169241236 /nfs/dbraw/zinc/24/12/36/169241236.db2.gz HMRQHDHLABIOCK-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CCCNC(=O)[C@@H](C)NC[C@H](O)COC(C)C ZINC000049203309 169242363 /nfs/dbraw/zinc/24/23/63/169242363.db2.gz HRVQLCWQFGAHSP-MNOVXSKESA-N 0 3 246.351 0.277 20 0 BCADHN CCCNC(=O)[C@@H](C)N[C@@H](C)Cn1cccn1 ZINC000042269860 169242530 /nfs/dbraw/zinc/24/25/30/169242530.db2.gz ZATKSJUCLZZXSE-WDEREUQCSA-N 0 3 238.335 0.776 20 0 BCADHN CCCNC(=O)[C@@H](C)NC(=O)[C@](C)(N)CCC ZINC000037621983 169242659 /nfs/dbraw/zinc/24/26/59/169242659.db2.gz IWNUQXIQHKVQGU-BXKDBHETSA-N 0 3 243.351 0.535 20 0 BCADHN CCCNC(=O)[C@H](C)N(C)[C@@H]1CCC[C@H]1O ZINC000352695613 169245310 /nfs/dbraw/zinc/24/53/10/169245310.db2.gz IGMCFCIYPSBNJP-HBNTYKKESA-N 0 3 228.336 0.746 20 0 BCADHN CCCNS(=O)(=O)NCC1(N(C)C)CCC1 ZINC000332059786 169271692 /nfs/dbraw/zinc/27/16/92/169271692.db2.gz PPBWWPPDLNZILZ-UHFFFAOYSA-N 0 3 249.380 0.305 20 0 BCADHN CCC[C@@H](C(=O)NCc1ccn(C)n1)N(C)C ZINC000330561137 169344877 /nfs/dbraw/zinc/34/48/77/169344877.db2.gz JAKQDBYJVGLDSQ-NSHDSACASA-N 0 3 238.335 0.767 20 0 BCADHN CCCS(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000309340113 169331332 /nfs/dbraw/zinc/33/13/32/169331332.db2.gz KXMOIYAHHPDOCC-LLVKDONJSA-N 0 3 246.376 0.754 20 0 BCADHN CCCS(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000070265543 169333542 /nfs/dbraw/zinc/33/35/42/169333542.db2.gz FZWXPSWBHXFUIQ-GHMZBOCLSA-N 0 3 246.376 0.943 20 0 BCADHN CCC[C@@H](C(=O)NC[C@@H](O)CC)N(C)C ZINC000355783955 169344978 /nfs/dbraw/zinc/34/49/78/169344978.db2.gz AQTATFISTHJFDT-UWVGGRQHSA-N 0 3 216.325 0.604 20 0 BCADHN CCC[C@@H](C)C(=O)NC[C@](C)(O)CN(C)C ZINC000152503854 169351193 /nfs/dbraw/zinc/35/11/93/169351193.db2.gz QOTOQOZVIFDLHF-PWSUYJOCSA-N 0 3 230.352 0.851 20 0 BCADHN CCC[C@@H](N)C(=O)N1CC[C@@](C)(C(=O)OC)C1 ZINC000236910978 169387562 /nfs/dbraw/zinc/38/75/62/169387562.db2.gz MTBDOKRRTIUQKZ-BXKDBHETSA-N 0 3 242.319 0.525 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCn2nc(C)nc2C1 ZINC000353212067 169387863 /nfs/dbraw/zinc/38/78/63/169387863.db2.gz JSGHUNWDTQUUDB-SECBINFHSA-N 0 3 237.307 0.056 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCCOCC1 ZINC000061920595 169387905 /nfs/dbraw/zinc/38/79/05/169387905.db2.gz IOXZLTCHAUFNKJ-SECBINFHSA-N 0 3 200.282 0.363 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000037815265 169387964 /nfs/dbraw/zinc/38/79/64/169387964.db2.gz JGGSISYVYLQSGJ-WDEREUQCSA-N 0 3 241.335 0.241 20 0 BCADHN CCC[C@@H](CC)S(=O)(=O)C(C)C(N)=O ZINC000359169908 169381453 /nfs/dbraw/zinc/38/14/53/169381453.db2.gz NUCAAAWNFRSRFK-JGVFFNPUSA-N 0 3 221.322 0.854 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000037815267 169388296 /nfs/dbraw/zinc/38/82/96/169388296.db2.gz JGGSISYVYLQSGJ-GHMZBOCLSA-N 0 3 241.335 0.241 20 0 BCADHN CCC[C@@H](N)C(=O)NCCn1ccnc1 ZINC000041051042 169389411 /nfs/dbraw/zinc/38/94/11/169389411.db2.gz VKQFJNVWSAAQAB-SECBINFHSA-N 0 3 210.281 0.127 20 0 BCADHN CCC[C@@H](N)C(=O)NCCc1ccccn1 ZINC000036873003 169389804 /nfs/dbraw/zinc/38/98/04/169389804.db2.gz NFFUMJGPWSWCJA-LLVKDONJSA-N 0 3 221.304 0.868 20 0 BCADHN CCC[C@@H](N)C(=O)NCCC(=O)OCC ZINC000041679997 169389967 /nfs/dbraw/zinc/38/99/67/169389967.db2.gz DCHOASDMJFFHQE-MRVPVSSYSA-N 0 3 216.281 0.183 20 0 BCADHN CCC[C@@H](N)C(=O)NCCn1ccnc1C ZINC000272445839 169389001 /nfs/dbraw/zinc/38/90/01/169389001.db2.gz LWFQCMHOLSSUIZ-SNVBAGLBSA-N 0 3 224.308 0.435 20 0 BCADHN CCC[C@@H](N)C(=O)NCc1c(C)nn(C)c1C ZINC000092328779 169390306 /nfs/dbraw/zinc/39/03/06/169390306.db2.gz IRERODSYRMSSAL-LLVKDONJSA-N 0 3 238.335 0.781 20 0 BCADHN COCCO[C@H]1CCCN(CCOC)C1 ZINC000179295880 134318967 /nfs/dbraw/zinc/31/89/67/134318967.db2.gz UZJJFTIZWOHSKP-NSHDSACASA-N 0 3 217.309 0.760 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@]1(C)CCOC1 ZINC000119136246 169391893 /nfs/dbraw/zinc/39/18/93/169391893.db2.gz PLRVVPLCIUHAGX-PSASIEDQSA-N 0 3 200.282 0.409 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1nc(C(N)=O)cs1 ZINC000262716410 169393054 /nfs/dbraw/zinc/39/30/54/169393054.db2.gz VUCLJDZYBQDKPG-RXMQYKEDSA-N 0 3 242.304 0.308 20 0 BCADHN c1snnc1CN1CCN2CCC[C@@H]2C1 ZINC000179549810 134321081 /nfs/dbraw/zinc/32/10/81/134321081.db2.gz SILMDGPBNNTNHQ-SNVBAGLBSA-N 0 3 224.333 0.818 20 0 BCADHN CC[C@@H](C(=O)NCCCCCO)N(C)C ZINC000193305356 259599170 /nfs/dbraw/zinc/59/91/70/259599170.db2.gz COOPSGLHNPOHGY-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN CC(=O)NCCCNC(=O)[C@]1(C)CCCCN1 ZINC000180921690 134332390 /nfs/dbraw/zinc/33/23/90/134332390.db2.gz GNHYSSPGJVKERO-LBPRGKRZSA-N 0 3 241.335 0.161 20 0 BCADHN COC[C@@H](O)CCN[C@@H](C)c1cnccn1 ZINC000222708210 134334143 /nfs/dbraw/zinc/33/41/43/134334143.db2.gz QWVCKIVHKTYHNJ-UWVGGRQHSA-N 0 3 225.292 0.525 20 0 BCADHN CO[C@H](C)CN(CC(N)=O)CC(C)C ZINC000182054067 134341374 /nfs/dbraw/zinc/34/13/74/134341374.db2.gz LZVZBHJMXHONGY-SECBINFHSA-N 0 3 202.298 0.465 20 0 BCADHN CO[C@@H](C)CN1CCC[C@H](NC(C)=O)C1 ZINC000182067688 134341570 /nfs/dbraw/zinc/34/15/70/134341570.db2.gz HQGFRKJXFASLMO-ONGXEEELSA-N 0 3 214.309 0.622 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H](C)COCCOC ZINC000353719042 169451872 /nfs/dbraw/zinc/45/18/72/169451872.db2.gz AHLNHDKRLZZFMN-CMPLNLGQSA-N 0 3 246.351 0.672 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCC[C@H](C)CO ZINC000223819579 134342866 /nfs/dbraw/zinc/34/28/66/134342866.db2.gz LYCZUTZKEBGFMS-VHSXEESVSA-N 0 3 237.365 0.418 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NC1CCC1 ZINC000223987190 134344274 /nfs/dbraw/zinc/34/42/74/134344274.db2.gz SNAGVLDLZVOOMS-JTQLQIEISA-N 0 3 211.309 0.932 20 0 BCADHN CCC[C@H](C)CS(=O)(=O)N(C)CCNC ZINC000309830393 169484210 /nfs/dbraw/zinc/48/42/10/169484210.db2.gz JVSNXUWSLBERIU-JTQLQIEISA-N 0 3 236.381 0.904 20 0 BCADHN CCC[C@H](N)C(=O)N1CCOC2(CCC2)C1 ZINC000236829611 169500326 /nfs/dbraw/zinc/50/03/26/169500326.db2.gz QDOINGURIOIARC-JTQLQIEISA-N 0 3 226.320 0.895 20 0 BCADHN CCC[C@H](N)C(=O)NCc1c(C)nn(C)c1C ZINC000092328775 169501543 /nfs/dbraw/zinc/50/15/43/169501543.db2.gz IRERODSYRMSSAL-NSHDSACASA-N 0 3 238.335 0.781 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000269038540 169502567 /nfs/dbraw/zinc/50/25/67/169502567.db2.gz LPSDRIVETPVSER-QWRGUYRKSA-N 0 3 249.314 0.457 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)CCCOC ZINC000062033651 169545173 /nfs/dbraw/zinc/54/51/73/169545173.db2.gz XJYKBWMKJADKHR-NSHDSACASA-N 0 3 216.325 0.999 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H](C)CC(=O)OC ZINC000303391661 169547058 /nfs/dbraw/zinc/54/70/58/169547058.db2.gz RHRZBFIMYJRRKU-KWQFWETISA-N 0 3 230.308 0.572 20 0 BCADHN COc1ccc(NC(=O)NCCN(C)C)cn1 ZINC000194291497 259617879 /nfs/dbraw/zinc/61/78/79/259617879.db2.gz PQOSUASFYMJQGX-UHFFFAOYSA-N 0 3 238.291 0.773 20 0 BCADHN CC[C@@H](COC)N[C@H](C(=O)NC)C(C)C ZINC000183211411 134352611 /nfs/dbraw/zinc/35/26/11/134352611.db2.gz WMHFNMWMGNJQDR-UWVGGRQHSA-N 0 3 216.325 0.772 20 0 BCADHN OC[C@@H]1CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000225447057 134353366 /nfs/dbraw/zinc/35/33/66/134353366.db2.gz ISZMXOSYHYOIOC-RNFRBKRXSA-N 0 3 213.199 0.224 20 0 BCADHN CCCc1nnc(NC(=O)CNC)s1 ZINC000261529964 169597569 /nfs/dbraw/zinc/59/75/69/169597569.db2.gz WILUIKUACXEIOU-UHFFFAOYSA-N 0 3 214.294 0.649 20 0 BCADHN CC(C)(O)C(C)(C)NCC(=O)N1CCCC1 ZINC000227345104 259631380 /nfs/dbraw/zinc/63/13/80/259631380.db2.gz NBTWYNIEHVWEQE-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN CCCCNC(=O)NCCOCCN(C)C ZINC000226116011 134359424 /nfs/dbraw/zinc/35/94/24/134359424.db2.gz MISNHWHMCUVMEM-UHFFFAOYSA-N 0 3 231.340 0.664 20 0 BCADHN C[C@@H]1CC[C@H](NC(=O)C(=O)NCCN)[C@@H](C)C1 ZINC000226154364 134359554 /nfs/dbraw/zinc/35/95/54/134359554.db2.gz MGIWNVPNXALFKG-UTLUCORTSA-N 0 3 241.335 0.002 20 0 BCADHN C[C@H]1CN(C)CCN1CCCCCO ZINC000225915062 134360134 /nfs/dbraw/zinc/36/01/34/134360134.db2.gz XYLNNYNBXVQFDI-NSHDSACASA-N 0 3 200.326 0.785 20 0 BCADHN CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@H](C)N ZINC000040456521 171108503 /nfs/dbraw/zinc/10/85/03/171108503.db2.gz QZTYWBBUVQPRQC-XHNCKOQMSA-N 0 3 200.282 0.360 20 0 BCADHN CCOC[C@@H](NC(=O)[C@@H](CN)OC)C(C)C ZINC000227417967 134380997 /nfs/dbraw/zinc/38/09/97/134380997.db2.gz GEFWSFPEFRQQJE-NXEZZACHSA-N 0 3 232.324 0.137 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1CCCC[C@H]1O ZINC000052009895 383822297 /nfs/dbraw/zinc/82/22/97/383822297.db2.gz OPKGAHKIUJVICZ-NXEZZACHSA-N 0 3 212.293 0.158 20 0 BCADHN CC[C@@H](C)NC(=O)CN[C@H]1COCC1(C)C ZINC000313067995 383824328 /nfs/dbraw/zinc/82/43/28/383824328.db2.gz QYNYWJVQLVYCLW-ZJUUUORDSA-N 0 3 228.336 0.916 20 0 BCADHN COCCNCC(=O)NCC1CCC(F)CC1 ZINC000647097771 383825092 /nfs/dbraw/zinc/82/50/92/383825092.db2.gz 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BCADHN OC[C@H]1CN(CC2=CCCC2)CC[C@@H]1O ZINC000401064460 383864013 /nfs/dbraw/zinc/86/40/13/383864013.db2.gz GWIVTBJIEJQUGL-NEPJUHHUSA-N 0 3 211.305 0.772 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000643732716 383864337 /nfs/dbraw/zinc/86/43/37/383864337.db2.gz NBMYTGNFIQSPIR-UKKRHICBSA-N 0 3 224.304 0.361 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)C[C@@H](C)C(=O)OC ZINC000037823552 383866225 /nfs/dbraw/zinc/86/62/25/383866225.db2.gz UUDHENSEXGWJEG-BXKDBHETSA-N 0 3 244.335 0.771 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)N[C@@H](C)CN(C)C ZINC000358537336 383867510 /nfs/dbraw/zinc/86/75/10/383867510.db2.gz ZOSLBRNKFRPMRP-QWRGUYRKSA-N 0 3 245.367 0.643 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000358534226 383868241 /nfs/dbraw/zinc/86/82/41/383868241.db2.gz VIDZBIPCHZNHLJ-MXWKQRLJSA-N 0 3 241.335 0.509 20 0 BCADHN C[C@H](NC(=O)[C@H](N)CC(F)F)C1CC1 ZINC000308643609 383875338 /nfs/dbraw/zinc/87/53/38/383875338.db2.gz FPNIFLXJACDQCG-CAHLUQPWSA-N 0 3 206.236 0.884 20 0 BCADHN Cc1noc(C)c1C(=O)NC[C@H]1CCN(C)C1 ZINC000066652419 383877328 /nfs/dbraw/zinc/87/73/28/383877328.db2.gz LMTWELLFOSGIDN-SNVBAGLBSA-N 0 3 237.303 0.973 20 0 BCADHN C[C@@H]([N-]S(=O)(=O)c1ccccc1F)[C@H](C)[NH3+] ZINC000334641348 383877837 /nfs/dbraw/zinc/87/78/37/383877837.db2.gz RAXNTBVSFWBURF-JGVFFNPUSA-N 0 3 246.307 0.840 20 0 BCADHN CSCCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368191506 383828862 /nfs/dbraw/zinc/82/88/62/383828862.db2.gz APTNRCGPZFDBLG-YUMQZZPRSA-N 0 3 220.313 0.556 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N(C)Cc1ccon1 ZINC000358519614 383831928 /nfs/dbraw/zinc/83/19/28/383831928.db2.gz MEMPIFMUUIJSQO-SECBINFHSA-N 0 3 240.307 0.766 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCC([C@@H](C)O)CC1 ZINC000408199902 383907630 /nfs/dbraw/zinc/90/76/30/383907630.db2.gz XTFCLALKIJMZIP-SKDRFNHKSA-N 0 3 229.320 0.419 20 0 BCADHN CCn1nnc(C)c1CN1CCC[C@@]1(C)CO ZINC000560119119 383911623 /nfs/dbraw/zinc/91/16/23/383911623.db2.gz YRKISZMTMCKFLZ-LBPRGKRZSA-N 0 3 238.335 0.953 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccccc1C(=O)NC ZINC000036871426 383912602 /nfs/dbraw/zinc/91/26/02/383912602.db2.gz FEAIOEOPZFZUJQ-VIFPVBQESA-N 0 3 235.287 0.722 20 0 BCADHN COC(=O)[C@H]1CC[C@@H](NC(=O)CNC(C)C)C1 ZINC000565901896 383915182 /nfs/dbraw/zinc/91/51/82/383915182.db2.gz BYFWQJJMQPUYQF-VHSXEESVSA-N 0 3 242.319 0.442 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1[C@@H]1CCNC1=O ZINC000407947824 383915301 /nfs/dbraw/zinc/91/53/01/383915301.db2.gz FXJJDDUXKJIMOH-LPEHRKFASA-N 0 3 212.293 0.110 20 0 BCADHN COC(=O)[C@@H]1CCCN(CCn2cccn2)C1 ZINC000112336105 383915949 /nfs/dbraw/zinc/91/59/49/383915949.db2.gz COUZAKSCOKXPTQ-LLVKDONJSA-N 0 3 237.303 0.768 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](O)c1ccccc1 ZINC000036871675 383916121 /nfs/dbraw/zinc/91/61/21/383916121.db2.gz MKMJJYKFVAABJS-WDEREUQCSA-N 0 3 222.288 0.574 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000037018818 383932951 /nfs/dbraw/zinc/93/29/51/383932951.db2.gz GOUBRWAIAXIWJD-SSDOTTSWSA-N 0 3 246.274 0.163 20 0 BCADHN CC[C@@H](C(=O)NCCN1CC=CCC1)N(C)C ZINC000357620015 383889704 /nfs/dbraw/zinc/88/97/04/383889704.db2.gz JZYGKARAVNTILC-LBPRGKRZSA-N 0 3 239.363 0.705 20 0 BCADHN CCN(CCO)Cc1ccc(C(=O)NC)cc1 ZINC000066871527 383895629 /nfs/dbraw/zinc/89/56/29/383895629.db2.gz WDRKUZIQUPZTDJ-UHFFFAOYSA-N 0 3 236.315 0.860 20 0 BCADHN C[C@@H](N[C@@H]1CO[C@H](C)C1)C1(S(C)(=O)=O)CC1 ZINC000647210510 383897986 /nfs/dbraw/zinc/89/79/86/383897986.db2.gz KKEMRAGMBLNAMQ-BBBLOLIVSA-N 0 3 247.360 0.719 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCC[C@@H](CO)C1 ZINC000408198575 383899083 /nfs/dbraw/zinc/89/90/83/383899083.db2.gz NTPBFHBITVNRCQ-MNOVXSKESA-N 0 3 215.293 0.031 20 0 BCADHN CC1(S(=O)(=O)NCCNC2CC2)CC1 ZINC000647210612 383900342 /nfs/dbraw/zinc/90/03/42/383900342.db2.gz PRONRXGRFRCAHA-UHFFFAOYSA-N 0 3 218.322 0.210 20 0 BCADHN CCN(C)CCNC(=O)NCc1ccnn1C ZINC000066987418 383904483 /nfs/dbraw/zinc/90/44/83/383904483.db2.gz HXVZTWDGVFCBTI-UHFFFAOYSA-N 0 3 239.323 0.171 20 0 BCADHN COc1ncncc1CNCC[C@H](C)CCO ZINC000647214235 383979670 /nfs/dbraw/zinc/97/96/70/383979670.db2.gz SYUYEARKIDPFEH-JTQLQIEISA-N 0 3 239.319 0.983 20 0 BCADHN CC(C)N(C)CC(=O)NC(C)(C)[C@H](C)O ZINC000332446819 383984192 /nfs/dbraw/zinc/98/41/92/383984192.db2.gz FSBOTWKQNXVOGL-VIFPVBQESA-N 0 3 216.325 0.602 20 0 BCADHN CC[C@](C)(CO)NC(=O)CN(C)C(C)C ZINC000332446866 383984333 /nfs/dbraw/zinc/98/43/33/383984333.db2.gz FUQTUKVQWDXYOU-LLVKDONJSA-N 0 3 216.325 0.604 20 0 BCADHN CC(=O)NCC(=O)NCCN1CCCC[C@H]1C ZINC000078337746 383990574 /nfs/dbraw/zinc/99/05/74/383990574.db2.gz RFDBRHDEUJOCOS-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CCCO1 ZINC000071518546 383996236 /nfs/dbraw/zinc/99/62/36/383996236.db2.gz XWCYLNRQZIGGHM-AEJSXWLSSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cnccn1 ZINC000071522462 383998116 /nfs/dbraw/zinc/99/81/16/383998116.db2.gz DTQXEZONHMCLFE-DTWKUNHWSA-N 0 3 220.276 0.299 20 0 BCADHN COC[C@H](O)CNCc1c(C)noc1C ZINC000070589105 383939389 /nfs/dbraw/zinc/93/93/89/383939389.db2.gz XICQWAWMJDJXCU-SECBINFHSA-N 0 3 214.265 0.388 20 0 BCADHN CCOC[C@H](O)CN1CCN(C)C[C@H]1CC ZINC000564880936 383940039 /nfs/dbraw/zinc/94/00/39/383940039.db2.gz CJVNPEJNAZNOEL-VXGBXAGGSA-N 0 3 230.352 0.410 20 0 BCADHN COC[C@H](O)CNCc1cccs1 ZINC000070558682 383941317 /nfs/dbraw/zinc/94/13/17/383941317.db2.gz JYTWVYYFPQDZPL-MRVPVSSYSA-N 0 3 201.291 0.845 20 0 BCADHN CO[C@H](CN[C@H]1CC(=O)N(C)C1)C1CC1 ZINC000400230687 383941835 /nfs/dbraw/zinc/94/18/35/383941835.db2.gz LYLCLJULTCXURM-VHSXEESVSA-N 0 3 212.293 0.232 20 0 BCADHN COC[C@@H](O)CNCc1cccs1 ZINC000070558683 383941946 /nfs/dbraw/zinc/94/19/46/383941946.db2.gz JYTWVYYFPQDZPL-QMMMGPOBSA-N 0 3 201.291 0.845 20 0 BCADHN CCCNC(=O)CNCC1(C)COC1 ZINC000070616942 383942365 /nfs/dbraw/zinc/94/23/65/383942365.db2.gz AUVIFPXPZAMOAR-UHFFFAOYSA-N 0 3 200.282 0.139 20 0 BCADHN CC(C)[C@H]1CCN1C(=O)C(C)S(C)(=O)=O ZINC000334315171 384000301 /nfs/dbraw/zinc/00/03/01/384000301.db2.gz NFHGBEQDASKTLU-RKDXNWHRSA-N 0 3 233.333 0.676 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@H](O)C1CC1 ZINC000070881730 383956007 /nfs/dbraw/zinc/95/60/07/383956007.db2.gz VWGLZZBFBINPBA-NSHDSACASA-N 0 3 209.293 0.887 20 0 BCADHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1ccc(=O)[nH]n1 ZINC000332431602 383956724 /nfs/dbraw/zinc/95/67/24/383956724.db2.gz HLPQICLOGDMIMP-HGNGGELXSA-N 0 3 237.303 0.992 20 0 BCADHN C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccccn1 ZINC000068802390 384016373 /nfs/dbraw/zinc/01/63/73/384016373.db2.gz YJCOXOGJWYCORH-OLZOCXBDSA-N 0 3 248.374 0.978 20 0 BCADHN CC[C@@H](C(=O)NC(C)(C)CCO)N(C)C ZINC000332481420 384021537 /nfs/dbraw/zinc/02/15/37/384021537.db2.gz OJQNWBDXIICIBW-VIFPVBQESA-N 0 3 216.325 0.604 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C1CCCCC1 ZINC000152725360 384023876 /nfs/dbraw/zinc/02/38/76/384023876.db2.gz SLBATHOWRHKSPF-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@]1(O)CCN(Cc2ccnc(N)c2)C1 ZINC000278541109 384006053 /nfs/dbraw/zinc/00/60/53/384006053.db2.gz RZPRYIOPHGIJQA-LLVKDONJSA-N 0 3 207.277 0.621 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)CO ZINC000518559574 384010284 /nfs/dbraw/zinc/01/02/84/384010284.db2.gz BFBFQUKMAVPYLO-ONGXEEELSA-N 0 3 240.347 0.604 20 0 BCADHN CC(=O)N1CCCN(CC2(O)CCC2)CC1 ZINC000336504289 384026407 /nfs/dbraw/zinc/02/64/07/384026407.db2.gz YAKKCNCNCSWSSX-UHFFFAOYSA-N 0 3 226.320 0.456 20 0 BCADHN CO[C@@]1(C)CCCN(C[C@H]2CN(C)C(=O)O2)C1 ZINC000496557823 533026538 /nfs/dbraw/zinc/02/65/38/533026538.db2.gz DLNPRLAWYIDGCM-PWSUYJOCSA-N 0 3 242.319 0.938 20 0 BCADHN CC[C@@H](C(=O)NC(C)(C)[C@@H](C)O)N(C)C ZINC000332500745 384052215 /nfs/dbraw/zinc/05/22/15/384052215.db2.gz TZJNCKLOUZTXMK-BDAKNGLRSA-N 0 3 216.325 0.602 20 0 BCADHN CC[C@H](CO)NCc1ccc(C(=O)NC)cc1 ZINC000037860211 384028126 /nfs/dbraw/zinc/02/81/26/384028126.db2.gz RUOXLJFXJRCSBQ-GFCCVEGCSA-N 0 3 236.315 0.907 20 0 BCADHN COCCNCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403469376 533027233 /nfs/dbraw/zinc/02/72/33/533027233.db2.gz OCZXCXOQBYMJLS-IJLUTSLNSA-N 0 3 240.347 0.775 20 0 BCADHN CCN(C)CCNC(=O)c1cnn(CC)c1 ZINC000114383801 384030876 /nfs/dbraw/zinc/03/08/76/384030876.db2.gz ZZINCQVXGSHOOO-UHFFFAOYSA-N 0 3 224.308 0.585 20 0 BCADHN COCCNCCNC(=O)OCC(F)(F)F ZINC000496993413 533025310 /nfs/dbraw/zinc/02/53/10/533025310.db2.gz BXQVWMVBGQWZQG-UHFFFAOYSA-N 0 3 244.213 0.511 20 0 BCADHN NC1(C(=O)N[C@H]2CCCOCC2)CCCC1 ZINC000309585882 384032830 /nfs/dbraw/zinc/03/28/30/384032830.db2.gz VPKOOKAAPYYQMN-JTQLQIEISA-N 0 3 226.320 0.943 20 0 BCADHN CN(C)C1(CNS(N)(=O)=O)CCCCC1 ZINC000074037114 384033280 /nfs/dbraw/zinc/03/32/80/384033280.db2.gz RMTNPPDNKXSBBC-UHFFFAOYSA-N 0 3 235.353 0.044 20 0 BCADHN CC[C@@H](COC)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000090181843 384033347 /nfs/dbraw/zinc/03/33/47/384033347.db2.gz LNABJFKDNDSJHH-VHSXEESVSA-N 0 3 226.320 0.764 20 0 BCADHN CCOC[C@@H](O)CN[C@H](CO)c1ccccc1 ZINC000069278719 384039763 /nfs/dbraw/zinc/03/97/63/384039763.db2.gz HSWUSCZSHZLDSH-QWHCGFSZSA-N 0 3 239.315 0.707 20 0 BCADHN CCOC[C@H](O)CN[C@H](CO)c1ccccc1 ZINC000069278716 384039887 /nfs/dbraw/zinc/03/98/87/384039887.db2.gz HSWUSCZSHZLDSH-CHWSQXEVSA-N 0 3 239.315 0.707 20 0 BCADHN F[C@@]1(c2nc([C@@H]3CCCN3)no2)CCNC1 ZINC000647156673 384042287 /nfs/dbraw/zinc/04/22/87/384042287.db2.gz KZNDPGDKFOOELL-XVKPBYJWSA-N 0 3 226.255 0.652 20 0 BCADHN CC[C@@H](COC)N[C@@H](CO)c1cnn(C)c1 ZINC000090885229 384083379 /nfs/dbraw/zinc/08/33/79/384083379.db2.gz ISCJTTGTXHGJPW-QWRGUYRKSA-N 0 3 227.308 0.468 20 0 BCADHN CC[C@H](COC)N[C@@H](CO)c1cnn(C)c1 ZINC000090885230 384083575 /nfs/dbraw/zinc/08/35/75/384083575.db2.gz ISCJTTGTXHGJPW-MNOVXSKESA-N 0 3 227.308 0.468 20 0 BCADHN COC(=O)c1ccc(NC[C@@H](C)N(C)C)nn1 ZINC000037998896 384054257 /nfs/dbraw/zinc/05/42/57/384054257.db2.gz FWKURSWAKKJHTN-MRVPVSSYSA-N 0 3 238.291 0.625 20 0 BCADHN C[C@@H](CNCCc1cccnc1)S(C)(=O)=O ZINC000565476772 384057850 /nfs/dbraw/zinc/05/78/50/384057850.db2.gz UXCXAWXONSGTKR-JTQLQIEISA-N 0 3 242.344 0.647 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@H](OC)C1 ZINC000076343618 384059152 /nfs/dbraw/zinc/05/91/52/384059152.db2.gz PKSIYLLAKFNFMA-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN c1cn(CCN2CCC[C@@H]2Cn2cncn2)cn1 ZINC000363459414 384060554 /nfs/dbraw/zinc/06/05/54/384060554.db2.gz MAZNTXNYCOJKPM-GFCCVEGCSA-N 0 3 246.318 0.639 20 0 BCADHN CCc1nc(CN2CCNC[C@H]2C(F)F)no1 ZINC000569456115 384063011 /nfs/dbraw/zinc/06/30/11/384063011.db2.gz HBKRSRUVCQRDLJ-ZETCQYMHSA-N 0 3 246.261 0.671 20 0 BCADHN C[C@@H](N[C@@H](CO)c1cnn(C)c1)C1CC1 ZINC000090884822 384068025 /nfs/dbraw/zinc/06/80/25/384068025.db2.gz MRHKUJWOJCPDLK-KCJUWKMLSA-N 0 3 209.293 0.842 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)CC[C@H](C)O ZINC000332515606 384072469 /nfs/dbraw/zinc/07/24/69/384072469.db2.gz ZPGWUFVHXPIEFC-WCBMZHEXSA-N 0 3 203.282 0.029 20 0 BCADHN CC(=O)[C@@](C)(O)CN(C)CC[C@@H](C)O ZINC000332515578 384073140 /nfs/dbraw/zinc/07/31/40/384073140.db2.gz ZPGWUFVHXPIEFC-SCZZXKLOSA-N 0 3 203.282 0.029 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](O)CC)N(C)C ZINC000332514038 384075125 /nfs/dbraw/zinc/07/51/25/384075125.db2.gz YWPSSGHQWJEFGI-DTWKUNHWSA-N 0 3 202.298 0.214 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1COc2ccccc21 ZINC000070069098 384075396 /nfs/dbraw/zinc/07/53/96/384075396.db2.gz SCRRHNJYOYZOJB-VIFPVBQESA-N 0 3 220.272 0.974 20 0 BCADHN C[C@@H](NC[C@]1(O)CCOC1)c1ccccn1 ZINC000090848848 384079178 /nfs/dbraw/zinc/07/91/78/384079178.db2.gz GQXJKRYIUUIWNY-ZYHUDNBSSA-N 0 3 222.288 0.884 20 0 BCADHN C[C@@H](NC(=O)C[C@H]1CNCCO1)c1ccccn1 ZINC000091299411 384114153 /nfs/dbraw/zinc/11/41/53/384114153.db2.gz DDNHNIXCFAKHSR-MNOVXSKESA-N 0 3 249.314 0.637 20 0 BCADHN Cc1cccc(CNC(=O)C[C@H]2CNCCO2)c1 ZINC000091300397 384115524 /nfs/dbraw/zinc/11/55/24/384115524.db2.gz RZQXKGRBHFLAMM-ZDUSSCGKSA-N 0 3 248.326 0.990 20 0 BCADHN Cn1cncc1CCCN1CCC[C@@H]1C(N)=O ZINC000569503221 384134904 /nfs/dbraw/zinc/13/49/04/384134904.db2.gz WXTUGHXPIPHWIY-LLVKDONJSA-N 0 3 236.319 0.302 20 0 BCADHN COC[C@H]1CCCN([C@@H]2CCN(C)C2=O)C1 ZINC000116280798 384126037 /nfs/dbraw/zinc/12/60/37/384126037.db2.gz PTICWJBZUNFTJC-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN Cc1ccc(CN2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000317691877 384126249 /nfs/dbraw/zinc/12/62/49/384126249.db2.gz RGQCMYGWYGDELS-QWHCGFSZSA-N 0 3 221.300 0.780 20 0 BCADHN CN(CCCCCO)CC(=O)NC1CC1 ZINC000227876407 134391715 /nfs/dbraw/zinc/39/17/15/134391715.db2.gz IWDURKDTTXNGNZ-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN NC(=O)[C@]1(NCC2CCCC2)CCOC1 ZINC000569496191 384126750 /nfs/dbraw/zinc/12/67/50/384126750.db2.gz OKSGIIVZIRMPTG-NSHDSACASA-N 0 3 212.293 0.411 20 0 BCADHN C[C@@H]1C[C@@H](NC[C@@H](O)C(F)(F)F)CO1 ZINC000401853798 384146105 /nfs/dbraw/zinc/14/61/05/384146105.db2.gz DXWWXNCTLFBLNE-FSDSQADBSA-N 0 3 213.199 0.677 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@H]1NCC1(C)C ZINC000648166892 384147601 /nfs/dbraw/zinc/14/76/01/384147601.db2.gz BIAJWNPGPQTERA-GARJFASQSA-N 0 3 240.347 0.604 20 0 BCADHN COCC[C@H](CO)NCc1ccc(CO)cc1 ZINC000302368068 384149892 /nfs/dbraw/zinc/14/98/92/384149892.db2.gz YSDDVBYCBOCYDY-CYBMUJFWSA-N 0 3 239.315 0.666 20 0 BCADHN NC(=O)C[C@]1(O)CCCN(Cc2ccncc2)C1 ZINC000643745625 384152637 /nfs/dbraw/zinc/15/26/37/384152637.db2.gz NAACRXJDNYUODG-CYBMUJFWSA-N 0 3 249.314 0.284 20 0 BCADHN CCN(C(=O)[C@@H](C(C)C)N(C)C)[C@H](C)CO ZINC000358789468 384155703 /nfs/dbraw/zinc/15/57/03/384155703.db2.gz PAHCKFNEJKRBAG-GHMZBOCLSA-N 0 3 230.352 0.802 20 0 BCADHN Cc1nn(C)cc1CN1CCC[C@@H]1CO ZINC000092470696 384140448 /nfs/dbraw/zinc/14/04/48/384140448.db2.gz ZAXZNMSJRUJJFR-LLVKDONJSA-N 0 3 209.293 0.685 20 0 BCADHN COC[C@H](CCO)N[C@H]1CO[C@H](C)C1 ZINC000401857067 384145669 /nfs/dbraw/zinc/14/56/69/384145669.db2.gz GNEMTTBLLFFPTD-KXUCPTDWSA-N 0 3 203.282 0.151 20 0 BCADHN COC[C@H](CCO)N[C@H]1CO[C@@H](C)C1 ZINC000401857068 384145925 /nfs/dbraw/zinc/14/59/25/384145925.db2.gz GNEMTTBLLFFPTD-LPEHRKFASA-N 0 3 203.282 0.151 20 0 BCADHN NS(=O)(=O)[C@H]1CCCN(CC2CCC2)C1 ZINC000336580549 384173776 /nfs/dbraw/zinc/17/37/76/384173776.db2.gz GFCUCENKRINKBY-JTQLQIEISA-N 0 3 232.349 0.539 20 0 BCADHN C[C@H](CNC(=O)CN)N(C)Cc1ccccc1 ZINC000237402574 384173794 /nfs/dbraw/zinc/17/37/94/384173794.db2.gz KFLZNSYHAZXXHT-LLVKDONJSA-N 0 3 235.331 0.582 20 0 BCADHN Cc1nc(C)c(CNCCOCCO)s1 ZINC000080692884 384174569 /nfs/dbraw/zinc/17/45/69/384174569.db2.gz BFROMDBCRHQJMN-UHFFFAOYSA-N 0 3 230.333 0.858 20 0 BCADHN C[C@@H]1C[C@H](NCCCS(C)(=O)=O)CO1 ZINC000401865660 384163488 /nfs/dbraw/zinc/16/34/88/384163488.db2.gz JXDDVIMZVUZMJG-BDAKNGLRSA-N 0 3 221.322 0.188 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1cccc(C(N)=O)c1 ZINC000040832044 384164312 /nfs/dbraw/zinc/16/43/12/384164312.db2.gz BPCSQYXZBRHKKK-LLVKDONJSA-N 0 3 249.314 0.385 20 0 BCADHN CC(=O)Nc1ccc(CNC(=O)C(C)(C)N)cc1 ZINC000040925351 384169456 /nfs/dbraw/zinc/16/94/56/384169456.db2.gz AHNZRTRNKHAYDV-UHFFFAOYSA-N 0 3 249.314 0.999 20 0 BCADHN Cc1c[nH]cc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000648140742 384170695 /nfs/dbraw/zinc/17/06/95/384170695.db2.gz JJCFZRCQEUGECD-IUCAKERBSA-N 0 3 225.267 0.753 20 0 BCADHN CC1(C(=O)NC[C@@]2(O)CN3CCC2CC3)CC1 ZINC000560505258 384177716 /nfs/dbraw/zinc/17/77/16/384177716.db2.gz JDYNMVWKTLKNHM-CYBMUJFWSA-N 0 3 238.331 0.359 20 0 BCADHN COC(=O)N1CC(N[C@@H](C)[C@H]2CCCO2)C1 ZINC000309623209 384183058 /nfs/dbraw/zinc/18/30/58/384183058.db2.gz FTZNLBVUTLOJOI-WCBMZHEXSA-N 0 3 228.292 0.594 20 0 BCADHN COC(=O)N1CC(N[C@@H](C)[C@@H]2CCCO2)C1 ZINC000309623210 384183260 /nfs/dbraw/zinc/18/32/60/384183260.db2.gz FTZNLBVUTLOJOI-WPRPVWTQSA-N 0 3 228.292 0.594 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2cnc(N)s2)C1 ZINC000235383450 384184360 /nfs/dbraw/zinc/18/43/60/384184360.db2.gz XOLGKRGHYAWONB-SNVBAGLBSA-N 0 3 240.332 0.423 20 0 BCADHN C[C@@H](N)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000564938131 384202388 /nfs/dbraw/zinc/20/23/88/384202388.db2.gz SPDIHMAOVOGQLH-SSDOTTSWSA-N 0 3 221.260 0.019 20 0 BCADHN CCCCNC(=O)CNC[C@@H]1CCCO1 ZINC000042211730 384207542 /nfs/dbraw/zinc/20/75/42/384207542.db2.gz UREKZCRPAZMJNU-JTQLQIEISA-N 0 3 214.309 0.671 20 0 BCADHN CC[C@H](CN1CCNC(=O)C[C@H]1C)OC ZINC000642699136 384196520 /nfs/dbraw/zinc/19/65/20/384196520.db2.gz WIGARLNBCLHKCP-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN COCC[C@@H](C)NC[C@@H](O)C(F)(F)F ZINC000081713088 384197959 /nfs/dbraw/zinc/19/79/59/384197959.db2.gz QIUDNPTYDIFKFU-RNFRBKRXSA-N 0 3 215.215 0.924 20 0 BCADHN COCC[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000081710462 384198515 /nfs/dbraw/zinc/19/85/15/384198515.db2.gz HYPDWIKQASDJCU-IUCAKERBSA-N 0 3 202.298 0.511 20 0 BCADHN COc1cc(CNCCO)cc2c1OCO2 ZINC000072712998 384229879 /nfs/dbraw/zinc/22/98/79/384229879.db2.gz BKSIDKSXUNGUCT-UHFFFAOYSA-N 0 3 225.244 0.506 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)[C@H]1NCC1(C)C ZINC000644160757 384232863 /nfs/dbraw/zinc/23/28/63/384232863.db2.gz DSGCXBAPDMGKQC-XHNCKOQMSA-N 0 3 214.309 0.524 20 0 BCADHN Cc1cc(C(=O)NC[C@H]2CNCCO2)c(C)[nH]1 ZINC000644160790 384233327 /nfs/dbraw/zinc/23/33/27/384233327.db2.gz NRKJAQZSJCYZKO-SNVBAGLBSA-N 0 3 237.303 0.350 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CC1(C)C ZINC000081900999 384210270 /nfs/dbraw/zinc/21/02/70/384210270.db2.gz TWTSMXHSJRYYTM-SFYZADRCSA-N 0 3 205.323 0.808 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@H]1CCCOC1 ZINC000081901212 384210345 /nfs/dbraw/zinc/21/03/45/384210345.db2.gz JIPNFKLGAULFNZ-IUCAKERBSA-N 0 3 221.322 0.188 20 0 BCADHN CC(=O)NC(C)(C)C(=O)N1CCNC(C)(C)C1 ZINC000643593509 384211787 /nfs/dbraw/zinc/21/17/87/384211787.db2.gz TWTQHLLXOHUKTH-UHFFFAOYSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000158225066 384212957 /nfs/dbraw/zinc/21/29/57/384212957.db2.gz VRUPLAMGCGWZET-RYUDHWBXSA-N 0 3 236.315 0.444 20 0 BCADHN CC(C)N1CCCN([C@H]2CCN(C)C2=O)CC1 ZINC000336379371 384217495 /nfs/dbraw/zinc/21/74/95/384217495.db2.gz RMFCUWCSRLYRGO-LBPRGKRZSA-N 0 3 239.363 0.633 20 0 BCADHN CSC1(CNC(=O)C(C)(C)N)CCOCC1 ZINC000237485855 384241337 /nfs/dbraw/zinc/24/13/37/384241337.db2.gz PYDRPCQIERUEDA-UHFFFAOYSA-N 0 3 246.376 0.752 20 0 BCADHN C[C@@H]1CCN(CCc2cnccn2)[C@@H]1CO ZINC000402891560 384220654 /nfs/dbraw/zinc/22/06/54/384220654.db2.gz FSEUAVKGPDKSER-ZYHUDNBSSA-N 0 3 221.304 0.722 20 0 BCADHN Cc1cc(C(=O)N2CC(N(C)C)C2)n[nH]1 ZINC000158359090 384222963 /nfs/dbraw/zinc/22/29/63/384222963.db2.gz ZSGCDMWFKQNHGT-UHFFFAOYSA-N 0 3 208.265 0.104 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1CCc1cnccn1 ZINC000402899633 384223542 /nfs/dbraw/zinc/22/35/42/384223542.db2.gz GPHQEWGGQMRONL-ZYHUDNBSSA-N 0 3 221.304 0.864 20 0 BCADHN C[C@H]1CN(CCc2cnccn2)C[C@@H]1O ZINC000402892888 384223659 /nfs/dbraw/zinc/22/36/59/384223659.db2.gz GEYSUOLHFIRJGU-ONGXEEELSA-N 0 3 207.277 0.332 20 0 BCADHN CSC1(CNCc2cnnn2C)CC1 ZINC000227950444 134399982 /nfs/dbraw/zinc/39/99/82/134399982.db2.gz IYAMKMNEVQMMNT-UHFFFAOYSA-N 0 3 212.322 0.800 20 0 BCADHN CC[C@@H]1C[C@@H](NC(=O)[C@H](CN)OC)CCO1 ZINC000644164991 384243313 /nfs/dbraw/zinc/24/33/13/384243313.db2.gz WFMRCCMVSQHIDL-AEJSXWLSSA-N 0 3 230.308 0.034 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000043427388 384277088 /nfs/dbraw/zinc/27/70/88/384277088.db2.gz OPMRXFLXRWJXGY-AXFHLTTASA-N 0 3 226.320 0.750 20 0 BCADHN CCOCCNC(=O)[C@H](N)[C@@H](C)CC ZINC000036230203 384247770 /nfs/dbraw/zinc/24/77/70/384247770.db2.gz WJUKWQFBTWDQKQ-DTWKUNHWSA-N 0 3 202.298 0.513 20 0 BCADHN CC[C@H]1CN(CCc2cnccn2)C[C@@H]1O ZINC000402919614 384249749 /nfs/dbraw/zinc/24/97/49/384249749.db2.gz QJJJSMGQHYTASC-JQWIXIFHSA-N 0 3 221.304 0.722 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000449880730 384250694 /nfs/dbraw/zinc/25/06/94/384250694.db2.gz PXQLWPHTQPIMGJ-GRYCIOLGSA-N 0 3 240.347 0.822 20 0 BCADHN CC[C@@H]1CN(CCc2cnccn2)C[C@@H]1O ZINC000402919616 384250828 /nfs/dbraw/zinc/25/08/28/384250828.db2.gz QJJJSMGQHYTASC-PWSUYJOCSA-N 0 3 221.304 0.722 20 0 BCADHN C[C@@H](NCc1cncnc1)[C@@H]1CCOC1 ZINC000127045169 384254010 /nfs/dbraw/zinc/25/40/10/384254010.db2.gz BIONGMYKHXZHGA-MWLCHTKSSA-N 0 3 207.277 0.991 20 0 BCADHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(N)=O ZINC000082944076 384277428 /nfs/dbraw/zinc/27/74/28/384277428.db2.gz BALBSOQZJDENRJ-MAUMQABQSA-N 0 3 212.293 0.263 20 0 BCADHN COCCNCC(=O)N1CCC[C@H]1CSC ZINC000400118664 384261677 /nfs/dbraw/zinc/26/16/77/384261677.db2.gz LGMFCYUHAXASNT-JTQLQIEISA-N 0 3 246.376 0.576 20 0 BCADHN Cn1cncc1CN[C@H]1CCC(=O)N(C)C1 ZINC000082784177 384267729 /nfs/dbraw/zinc/26/77/29/384267729.db2.gz MEKXCKWUQAMPFC-VIFPVBQESA-N 0 3 222.292 0.131 20 0 BCADHN CCN(CC)CC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000073988516 384271561 /nfs/dbraw/zinc/27/15/61/384271561.db2.gz KSKGLUQHYORWCG-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN C[C@H](O)CCNC(=O)C1(N)CCCCC1 ZINC000083007071 384273306 /nfs/dbraw/zinc/27/33/06/384273306.db2.gz PFGGBLRIBBOFEG-VIFPVBQESA-N 0 3 214.309 0.535 20 0 BCADHN COC(=O)[C@@]1(C)CCN(Cc2cnc[nH]2)C1 ZINC000093813705 384274409 /nfs/dbraw/zinc/27/44/09/384274409.db2.gz MOSKFQHPUOZJEF-NSHDSACASA-N 0 3 223.276 0.795 20 0 BCADHN O=C1NC[C@@H]2CN(C/C=C/Cl)CC[C@H]12 ZINC000368245796 384275128 /nfs/dbraw/zinc/27/51/28/384275128.db2.gz YRQINGPTIPXSRO-XKAWMOSTSA-N 0 3 214.696 0.807 20 0 BCADHN O=C([C@H]1CCN([C@H]2CCOC2)C1)N1CCCC1 ZINC000336632927 384275343 /nfs/dbraw/zinc/27/53/43/384275343.db2.gz JFEYOBBDOABFCC-RYUDHWBXSA-N 0 3 238.331 0.720 20 0 BCADHN OC[C@@H]1CCCCN1CCc1cnccn1 ZINC000402933455 384276362 /nfs/dbraw/zinc/27/63/62/384276362.db2.gz UHLNJBMISPTCCD-LBPRGKRZSA-N 0 3 221.304 0.866 20 0 BCADHN C[C@H]1CCN(CCNS(C)(=O)=O)C[C@H](C)C1 ZINC000127095159 384304845 /nfs/dbraw/zinc/30/48/45/384304845.db2.gz GKTGQEAVUANUPG-WDEREUQCSA-N 0 3 248.392 0.904 20 0 BCADHN CC[C@](C)(O)CN[C@H]1CCCS(=O)(=O)C1 ZINC000083463205 384305485 /nfs/dbraw/zinc/30/54/85/384305485.db2.gz LGEKSTFROOOAPC-UWVGGRQHSA-N 0 3 235.349 0.314 20 0 BCADHN Cc1ccc(O)c(NC(=O)[C@@H]2C[C@@H](O)CN2)c1 ZINC000094574241 384306215 /nfs/dbraw/zinc/30/62/15/384306215.db2.gz LDKTUUOXDKZLQE-SCZZXKLOSA-N 0 3 236.271 0.362 20 0 BCADHN Cc1noc(CCCN2CCC[C@@H](O)C2)n1 ZINC000336664212 384307950 /nfs/dbraw/zinc/30/79/50/384307950.db2.gz CUPJVJXRXOPWTN-SNVBAGLBSA-N 0 3 225.292 0.767 20 0 BCADHN C[C@@](O)(CN[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000332214714 384309629 /nfs/dbraw/zinc/30/96/29/384309629.db2.gz WMMYFEFBOCNIOK-WDEREUQCSA-N 0 3 247.360 0.314 20 0 BCADHN CCCCN(CCCNC(C)=O)CC(N)=O ZINC000142829983 384314948 /nfs/dbraw/zinc/31/49/48/384314948.db2.gz JQYSHCPCQBRDMY-UHFFFAOYSA-N 0 3 229.324 0.100 20 0 BCADHN NCC(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000082275057 384315956 /nfs/dbraw/zinc/31/59/56/384315956.db2.gz JNFVWEYAAHOENY-SECBINFHSA-N 0 3 208.265 0.005 20 0 BCADHN CC[C@H](N)C(=O)NCCc1c(C)noc1C ZINC000159283683 384317758 /nfs/dbraw/zinc/31/77/58/384317758.db2.gz CAJVOZNKUQVNAM-JTQLQIEISA-N 0 3 225.292 0.687 20 0 BCADHN CC(C)(C)[C@H](CO)NC[C@@H](O)C(F)(F)F ZINC000332503101 384319276 /nfs/dbraw/zinc/31/92/76/384319276.db2.gz JJVDSHITPTXBQV-NKWVEPMBSA-N 0 3 229.242 0.906 20 0 BCADHN CC(C)OC[C@@H](O)CN1CC[C@](C)(O)C1 ZINC000300011059 384278884 /nfs/dbraw/zinc/27/88/84/384278884.db2.gz BPEXROSWHCKBFL-QWRGUYRKSA-N 0 3 217.309 0.229 20 0 BCADHN C[C@H]1C[C@H](NCCNC(=O)C2CC2)CO1 ZINC000401914567 384279685 /nfs/dbraw/zinc/27/96/85/384279685.db2.gz ZQZXGCQYUUILNT-WPRPVWTQSA-N 0 3 212.293 0.280 20 0 BCADHN C[C@@H]1CN(CCc2cnccn2)CC[C@@H]1O ZINC000402943760 384282657 /nfs/dbraw/zinc/28/26/57/384282657.db2.gz ZONKHTCBTSQJQE-PWSUYJOCSA-N 0 3 221.304 0.722 20 0 BCADHN C[C@H](C[S@](C)=O)N[C@H](C)c1ccnn1C ZINC000300059887 384283723 /nfs/dbraw/zinc/28/37/23/384283723.db2.gz BBZZTMBOEACREG-XWRVAKJBSA-N 0 3 229.349 0.838 20 0 BCADHN CO[C@@H]1CN(C[C@@H](O)C(C)C)C[C@H]1OC ZINC000300043492 384284658 /nfs/dbraw/zinc/28/46/58/384284658.db2.gz XHOCAZPNKZPICA-GMTAPVOTSA-N 0 3 217.309 0.349 20 0 BCADHN CN(C)CCNC(=O)NCCc1cccnc1 ZINC000133392097 384288232 /nfs/dbraw/zinc/28/82/32/384288232.db2.gz HUMCOPBWBZJULT-UHFFFAOYSA-N 0 3 236.319 0.485 20 0 BCADHN C[C@H]1C[C@@H](NCC(C)(C)S(C)(=O)=O)CO1 ZINC000401919612 384288402 /nfs/dbraw/zinc/28/84/02/384288402.db2.gz ZIBNLWXRBDELRM-DTWKUNHWSA-N 0 3 235.349 0.577 20 0 BCADHN CCN(CC)[C@@H]1CCN(S(=O)(=O)N(C)C)C1 ZINC000173994179 384288911 /nfs/dbraw/zinc/28/89/11/384288911.db2.gz XGLLZDNUBAPCKX-SNVBAGLBSA-N 0 3 249.380 0.209 20 0 BCADHN CCc1ccc(CNC[C@@H](O)CO)cc1 ZINC000083345856 384290773 /nfs/dbraw/zinc/29/07/73/384290773.db2.gz KGIGQTYVRGCGFF-GFCCVEGCSA-N 0 3 209.289 0.692 20 0 BCADHN C[C@@H]1C[C@@H](NCC2(S(C)(=O)=O)CC2)CO1 ZINC000401922959 384291645 /nfs/dbraw/zinc/29/16/45/384291645.db2.gz PDHZHUYQMSSJQJ-RKDXNWHRSA-N 0 3 233.333 0.331 20 0 BCADHN Cn1cnc(C(=O)NCCNc2ccncc2)c1 ZINC000536307190 384293029 /nfs/dbraw/zinc/29/30/29/384293029.db2.gz DJWIMFLMPVMPJL-UHFFFAOYSA-N 0 3 245.286 0.079 20 0 BCADHN COc1ccc(CN[C@@H](CO)C(C)(C)C)nn1 ZINC000282463048 384293667 /nfs/dbraw/zinc/29/36/67/384293667.db2.gz JYNFHRYLAVMAME-JTQLQIEISA-N 0 3 239.319 0.982 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2(N)CC2)CN1C1CC1 ZINC000237586725 384295069 /nfs/dbraw/zinc/29/50/69/384295069.db2.gz WHZSDBVROJKIBV-BDAKNGLRSA-N 0 3 223.320 0.219 20 0 BCADHN CC(C)NC(=O)CNCCCc1cnn(C)c1 ZINC000314723440 384295663 /nfs/dbraw/zinc/29/56/63/384295663.db2.gz NZVZQTRTGCATHG-UHFFFAOYSA-N 0 3 238.335 0.467 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@H](CO)C1CC1 ZINC000308834909 384337919 /nfs/dbraw/zinc/33/79/19/384337919.db2.gz HTAPYEWZNDPAKC-PSASIEDQSA-N 0 3 235.349 0.028 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCC1(O)CCC(C)CC1 ZINC000333820279 384339054 /nfs/dbraw/zinc/33/90/54/384339054.db2.gz IUFHFAWHYSVWHC-CMOBGSAGSA-N 0 3 243.347 0.931 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000083884382 384341418 /nfs/dbraw/zinc/34/14/18/384341418.db2.gz VAXMEKMDEOEMPQ-ZCFIWIBFSA-N 0 3 219.244 0.467 20 0 BCADHN Cc1nc(CCNC(=O)[C@H](C)N)cs1 ZINC000083883578 384342427 /nfs/dbraw/zinc/34/24/27/384342427.db2.gz VCRIKUFQYSALOM-LURJTMIESA-N 0 3 213.306 0.457 20 0 BCADHN Cn1cc(NC(=O)[C@@]2(C)CCCCN2)cn1 ZINC000159569875 384343033 /nfs/dbraw/zinc/34/30/33/384343033.db2.gz LMPJXIKUJKYOSI-LLVKDONJSA-N 0 3 222.292 0.891 20 0 BCADHN Cc1cnccc1CNC(=O)C(C)(C)N ZINC000083884910 384343154 /nfs/dbraw/zinc/34/31/54/384343154.db2.gz LTMLOVUUCLBDJT-UHFFFAOYSA-N 0 3 207.277 0.744 20 0 BCADHN CS(=O)(=O)CCN1CCC[C@@H]1C1CC1 ZINC000363386126 384344598 /nfs/dbraw/zinc/34/45/98/384344598.db2.gz KJMQMHZODKERPU-SNVBAGLBSA-N 0 3 217.334 0.905 20 0 BCADHN CNCC(=O)N1CCO[C@@H](C(C)C)C1 ZINC000083940448 384345424 /nfs/dbraw/zinc/34/54/24/384345424.db2.gz GFMUOBLQMCDGMQ-SECBINFHSA-N 0 3 200.282 0.089 20 0 BCADHN CS(=O)(=O)CCN1CCC[C@H]1C1CC1 ZINC000363386125 384345488 /nfs/dbraw/zinc/34/54/88/384345488.db2.gz KJMQMHZODKERPU-JTQLQIEISA-N 0 3 217.334 0.905 20 0 BCADHN CNCC(=O)N1CCOC[C@@H]1CC(C)C ZINC000083940871 384346465 /nfs/dbraw/zinc/34/64/65/384346465.db2.gz LKSXJFVQQVBQCQ-JTQLQIEISA-N 0 3 214.309 0.479 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1CCCN(C)C1=O ZINC000335600601 384373826 /nfs/dbraw/zinc/37/38/26/384373826.db2.gz YKQVWZNQZUEOKK-SECBINFHSA-N 0 3 222.292 0.429 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc2c1OCCO2 ZINC000083958666 384351323 /nfs/dbraw/zinc/35/13/23/384351323.db2.gz ZYDKNHXALGKTNG-ZETCQYMHSA-N 0 3 222.244 0.744 20 0 BCADHN Cc1cc(C)cc(CCNC(=O)CN)c1 ZINC000083941376 384351371 /nfs/dbraw/zinc/35/13/71/384351371.db2.gz CHBDSQGAGKJERR-UHFFFAOYSA-N 0 3 206.289 0.921 20 0 BCADHN C[C@@H]1C[C@H](O)CN(CCc2ccnn2C)C1 ZINC000335590489 384353640 /nfs/dbraw/zinc/35/36/40/384353640.db2.gz OKSBDEKTTTYKOF-PWSUYJOCSA-N 0 3 223.320 0.665 20 0 BCADHN Cn1cc(C[C@H]2CCN([C@@H]3CCNC3=O)C2)cn1 ZINC000361292334 384354340 /nfs/dbraw/zinc/35/43/40/384354340.db2.gz CKFFYOLHACDCJY-ZYHUDNBSSA-N 0 3 248.330 0.173 20 0 BCADHN Cc1ocnc1CNC(=O)CN(C)C(C)C ZINC000134458859 384357026 /nfs/dbraw/zinc/35/70/26/384357026.db2.gz CDICWLSUZRXTBJ-UHFFFAOYSA-N 0 3 225.292 0.939 20 0 BCADHN Cn1nncc1CN[C@@H]1CCC[C@@H]1CCO ZINC000330364111 384363248 /nfs/dbraw/zinc/36/32/48/384363248.db2.gz DYVMNMWTNOECAS-MWLCHTKSSA-N 0 3 224.308 0.456 20 0 BCADHN COC[C@H](NC[C@@H](C)O)[C@@H]1CCCO1 ZINC000330363919 384364165 /nfs/dbraw/zinc/36/41/65/384364165.db2.gz YSPSSRPZSLTFCJ-UTLUCORTSA-N 0 3 203.282 0.151 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@H]1CCO[C@@H]1C ZINC000134541370 384364227 /nfs/dbraw/zinc/36/42/27/384364227.db2.gz VBRLHCIFCHPGEM-AEJSXWLSSA-N 0 3 214.309 0.667 20 0 BCADHN C[C@H](NC[C@]1(O)CCN(C)C1)c1ncc[nH]1 ZINC000330364051 384364792 /nfs/dbraw/zinc/36/47/92/384364792.db2.gz COYIDTUTTJATSV-GXSJLCMTSA-N 0 3 224.308 0.127 20 0 BCADHN NCc1cc(C(=O)N2CCN3CCC[C@@H]3C2)co1 ZINC000188192195 384368070 /nfs/dbraw/zinc/36/80/70/384368070.db2.gz UNDXBQDKPCCRGB-LLVKDONJSA-N 0 3 249.314 0.659 20 0 BCADHN Cc1nc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)n[nH]1 ZINC000331531240 384370885 /nfs/dbraw/zinc/37/08/85/384370885.db2.gz QZMCGFFBYHYCCP-HBNTYKKESA-N 0 3 236.319 0.706 20 0 BCADHN COc1nccc(CNCCC[C@H](C)CO)n1 ZINC000295433342 384372663 /nfs/dbraw/zinc/37/26/63/384372663.db2.gz OVSCWOGFGLYAHK-JTQLQIEISA-N 0 3 239.319 0.983 20 0 BCADHN C[C@H](CC(=O)N(C)C)NCc1cncn1C ZINC000330364314 384372738 /nfs/dbraw/zinc/37/27/38/384372738.db2.gz KBLBEZUCWZTLRU-SECBINFHSA-N 0 3 224.308 0.377 20 0 BCADHN O=C([C@@H]1CCc2c[nH]nc2C1)N1CCCNCC1 ZINC000428410162 384325526 /nfs/dbraw/zinc/32/55/26/384325526.db2.gz AILJESRGVASOJN-SNVBAGLBSA-N 0 3 248.330 0.337 20 0 BCADHN COCC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000068219396 384326818 /nfs/dbraw/zinc/32/68/18/384326818.db2.gz DQKVSVREXFCJIM-MRVPVSSYSA-N 0 3 200.282 0.232 20 0 BCADHN O=S1(=O)CCC[C@H](N[C@H]2CCCC[C@@H]2O)C1 ZINC000187879084 384331485 /nfs/dbraw/zinc/33/14/85/384331485.db2.gz MQQNYEUODOKTTG-DCAQKATOSA-N 0 3 247.360 0.457 20 0 BCADHN C[C@@]1(CNC(=O)[C@@H](N)C2CCC2)CCCO1 ZINC000331591234 384392547 /nfs/dbraw/zinc/39/25/47/384392547.db2.gz MUTFGIIPSNQFIV-JQWIXIFHSA-N 0 3 226.320 0.799 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N1C[C@H](C)C[C@H]1C ZINC000448017438 384394324 /nfs/dbraw/zinc/39/43/24/384394324.db2.gz WSYAOLYQUBWFOR-BBBLOLIVSA-N 0 3 241.335 0.951 20 0 BCADHN C[C@H](CCCO)NC(=O)NC[C@@H]1CCCN1C ZINC000121065305 384395401 /nfs/dbraw/zinc/39/54/01/384395401.db2.gz NGPYKVLUZCMUMU-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)C[C@H]1C ZINC000448017437 384395650 /nfs/dbraw/zinc/39/56/50/384395650.db2.gz WSYAOLYQUBWFOR-AEJSXWLSSA-N 0 3 241.335 0.951 20 0 BCADHN CN(C(=O)[C@H]1CCCOC1)[C@H]1CCCN(C)C1 ZINC000247349190 384400108 /nfs/dbraw/zinc/40/01/08/384400108.db2.gz JOHDXBUPDBOUHL-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN C[NH2+]CC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000084485880 384400304 /nfs/dbraw/zinc/40/03/04/384400304.db2.gz XUWIZKBBUMHVDM-UHFFFAOYSA-N 0 3 218.278 0.086 20 0 BCADHN Cn1cc([C@H](CO)NCCC2CC2)cn1 ZINC000331644983 384412238 /nfs/dbraw/zinc/41/22/38/384412238.db2.gz KGAFWABNVBLACP-NSHDSACASA-N 0 3 209.293 0.843 20 0 BCADHN Cc1cnn(CCNC(C)(C)C(=O)N(C)C)c1 ZINC000556498157 384414383 /nfs/dbraw/zinc/41/43/83/384414383.db2.gz YYBCCZQESQKBKI-UHFFFAOYSA-N 0 3 238.335 0.648 20 0 BCADHN C[C@H](CO)N(C[C@H](C)O)C[C@H]1CCCCO1 ZINC000248910179 384415187 /nfs/dbraw/zinc/41/51/87/384415187.db2.gz IUZZCWBRDTYCRE-GRYCIOLGSA-N 0 3 231.336 0.619 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000146950022 384424609 /nfs/dbraw/zinc/42/46/09/384424609.db2.gz ISBGTXMBQDOPDR-YNEHKIRRSA-N 0 3 248.326 0.744 20 0 BCADHN CC[C@H](N[C@@H]1CCC[C@@H]1C(=O)NC)C(N)=O ZINC000330364902 384375857 /nfs/dbraw/zinc/37/58/57/384375857.db2.gz ZZRNPHNPUHJHRX-XHNCKOQMSA-N 0 3 227.308 0.805 20 0 BCADHN CC(C)[C@H](O)CNCc1cccc(C(N)=O)c1 ZINC000134701629 384380679 /nfs/dbraw/zinc/38/06/79/384380679.db2.gz ROWVHDCBUHNUQU-GFCCVEGCSA-N 0 3 236.315 0.892 20 0 BCADHN Cc1n[nH]cc1CN[C@H]1CN(C)C[C@H]1C ZINC000335609139 384384117 /nfs/dbraw/zinc/38/41/17/384384117.db2.gz ZGFLRAYIIHNVAH-KCJUWKMLSA-N 0 3 208.309 0.758 20 0 BCADHN CC[NH+](CC)CCCOC(=O)N=C(N)[O-] ZINC000120902903 384387853 /nfs/dbraw/zinc/38/78/53/384387853.db2.gz UVZBXEUCVFGWMN-UHFFFAOYSA-N 0 3 217.269 0.523 20 0 BCADHN CC[NH+](CC)CCCOC([O-])=NC(N)=O ZINC000120902903 384387857 /nfs/dbraw/zinc/38/78/57/384387857.db2.gz UVZBXEUCVFGWMN-UHFFFAOYSA-N 0 3 217.269 0.523 20 0 BCADHN C[C@]1(C(=O)N2CCNC(C)(C)C2)C[C@@H]1F ZINC000335617787 384389822 /nfs/dbraw/zinc/38/98/22/384389822.db2.gz MUQCXKAAKGWKCZ-KWQFWETISA-N 0 3 214.284 0.945 20 0 BCADHN Cc1nn(C)cc1CN[C@@H](C)CC[S@@](C)=O ZINC000160164010 384390429 /nfs/dbraw/zinc/39/04/29/384390429.db2.gz QMHZKDRMZBCVNR-FVMDXXJSSA-N 0 3 243.376 0.975 20 0 BCADHN CCS(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000308979631 384391437 /nfs/dbraw/zinc/39/14/37/384391437.db2.gz JQEWAQZERFDDFM-SNVBAGLBSA-N 0 3 232.349 0.364 20 0 BCADHN C[C@H](NCC1(O)CCC1)[C@@H](O)C(F)(F)F ZINC000647514863 384444138 /nfs/dbraw/zinc/44/41/38/384444138.db2.gz GDXZWQDWMCIQAY-NKWVEPMBSA-N 0 3 227.226 0.803 20 0 BCADHN CCN(CC)CCNS(=O)(=O)CCCF ZINC000175493098 384444246 /nfs/dbraw/zinc/44/42/46/384444246.db2.gz FRNCNTFODUFVNP-UHFFFAOYSA-N 0 3 240.344 0.607 20 0 BCADHN CCOC[C@H](O)CN[C@H](C)[C@H](O)C(F)(F)F ZINC000647515092 384446915 /nfs/dbraw/zinc/44/69/15/384446915.db2.gz OXEZLGSBUCNCQJ-PRJMDXOYSA-N 0 3 245.241 0.285 20 0 BCADHN C/C=C/CS(=O)(=O)C(C)C(=O)N(C)C ZINC000078481509 384448671 /nfs/dbraw/zinc/44/86/71/384448671.db2.gz ZUTYOHCODOCTTM-GJIOHYHPSA-N 0 3 219.306 0.454 20 0 BCADHN O=C(N[C@@H]1CC12CC2)[C@H]1CNCCC1(F)F ZINC000648179857 384450944 /nfs/dbraw/zinc/45/09/44/384450944.db2.gz CXIAJSFBKCKFGQ-HTQZYQBOSA-N 0 3 230.258 0.900 20 0 BCADHN O=C1C[C@H](N[C@H]2CCCOC2)[C@H]2CCCCN12 ZINC000305972800 384451202 /nfs/dbraw/zinc/45/12/02/384451202.db2.gz JYTYIAPPPSNORB-SDDRHHMPSA-N 0 3 238.331 0.908 20 0 BCADHN CS(=O)(=O)NC[C@@H](N)c1ccccc1 ZINC000036297553 384454452 /nfs/dbraw/zinc/45/44/52/384454452.db2.gz VPLBQELIYCJDIB-SECBINFHSA-N 0 3 214.290 0.236 20 0 BCADHN Cn1cc([C@@H](CO)N[C@@H]2CCCC[C@H]2O)cn1 ZINC000564583685 384428928 /nfs/dbraw/zinc/42/89/28/384428928.db2.gz BNTFDMSLTNDECA-IJLUTSLNSA-N 0 3 239.319 0.347 20 0 BCADHN CC[C@@H](NC[C@@H](O)COC)[C@@H](O)C(F)(F)F ZINC000565539992 384429124 /nfs/dbraw/zinc/42/91/24/384429124.db2.gz HRUFDSPMZQWDEL-BWZBUEFSSA-N 0 3 245.241 0.285 20 0 BCADHN CC[C@H](NC[C@@H](O)COC)[C@@H](O)C(F)(F)F ZINC000565539999 384429140 /nfs/dbraw/zinc/42/91/40/384429140.db2.gz HRUFDSPMZQWDEL-GJMOJQLCSA-N 0 3 245.241 0.285 20 0 BCADHN CN(CCN1C(=O)NC(C)(C)C1=O)C1CC1 ZINC000046602707 384429340 /nfs/dbraw/zinc/42/93/40/384429340.db2.gz GMGSICOAXWXHME-UHFFFAOYSA-N 0 3 225.292 0.411 20 0 BCADHN COc1ncncc1CNC1CCOCC1 ZINC000647173126 384431636 /nfs/dbraw/zinc/43/16/36/384431636.db2.gz WMBYWJYFGZUWIL-UHFFFAOYSA-N 0 3 223.276 0.754 20 0 BCADHN [NH3+][C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC000082590829 384433933 /nfs/dbraw/zinc/43/39/33/384433933.db2.gz QSAQKFCBQFMBSP-JTQLQIEISA-N 0 3 220.272 0.859 20 0 BCADHN COc1cccc(C(=O)N[C@H](C)C[NH3+])c1[O-] ZINC000082584585 384434202 /nfs/dbraw/zinc/43/42/02/384434202.db2.gz ZSKLFGMZMYQMOV-SSDOTTSWSA-N 0 3 224.260 0.478 20 0 BCADHN CC[C@@H](C(=O)NCC1(CCO)CCC1)N(C)C ZINC000121819724 384440254 /nfs/dbraw/zinc/44/02/54/384440254.db2.gz KFJXIOFBNASGMK-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@@H](O)C2CC2)n1 ZINC000078739424 384460736 /nfs/dbraw/zinc/46/07/36/384460736.db2.gz BBRZQZQFPKPIBI-GFCCVEGCSA-N 0 3 222.288 0.956 20 0 BCADHN C[C@@H](O)CCNCc1cccc(C(N)=O)c1 ZINC000078780186 384465540 /nfs/dbraw/zinc/46/55/40/384465540.db2.gz GDESISMBMOAFNJ-SECBINFHSA-N 0 3 222.288 0.646 20 0 BCADHN COc1nn(C)cc1NC(=O)[C@@H]1CCN(C)C1 ZINC000556726013 384465746 /nfs/dbraw/zinc/46/57/46/384465746.db2.gz LXQXUVZOBXAUTE-MRVPVSSYSA-N 0 3 238.291 0.319 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)Cn1cccn1 ZINC000036999229 384466451 /nfs/dbraw/zinc/46/64/51/384466451.db2.gz OWHRYIFTLRBIEO-BDAKNGLRSA-N 0 3 210.281 0.125 20 0 BCADHN COc1ncncc1CNC[C@H](C)CO ZINC000647175034 384469875 /nfs/dbraw/zinc/46/98/75/384469875.db2.gz UZLCLILGVFZGMT-QMMMGPOBSA-N 0 3 211.265 0.203 20 0 BCADHN Cn1ncc2c1CCC[C@H]2NCCCO ZINC000037051839 384472313 /nfs/dbraw/zinc/47/23/13/384472313.db2.gz VWCOMMMZRAPMGW-SNVBAGLBSA-N 0 3 209.293 0.770 20 0 BCADHN CC[C@H](COC)NC(=O)[C@]1(F)CCNC1 ZINC000309537119 384472545 /nfs/dbraw/zinc/47/25/45/384472545.db2.gz XHZLTHLCVUSLHQ-SCZZXKLOSA-N 0 3 218.272 0.229 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)OC ZINC000037031987 384473290 /nfs/dbraw/zinc/47/32/90/384473290.db2.gz FCQQYMLKPAVCGT-CSMHCCOUSA-N 0 3 216.281 0.038 20 0 BCADHN CC[C@H](C(=O)N(C)[C@H]1C[C@@H](OC)C1)N(C)C ZINC000561070159 384475451 /nfs/dbraw/zinc/47/54/51/384475451.db2.gz MHHWVHSGQLIXKW-OUAUKWLOSA-N 0 3 228.336 0.962 20 0 BCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N1CCCC1 ZINC000078962188 384476141 /nfs/dbraw/zinc/47/61/41/384476141.db2.gz XFPGNXZAXHEULI-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)N(C)CC(=O)NCCOC(F)(F)F ZINC000356791437 384481327 /nfs/dbraw/zinc/48/13/27/384481327.db2.gz CJYYWOAWTKDZBT-UHFFFAOYSA-N 0 3 242.241 0.979 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)C1(N)CCOCC1 ZINC000149649528 384483339 /nfs/dbraw/zinc/48/33/39/384483339.db2.gz GBMOEJFNBJYUAE-SNVBAGLBSA-N 0 3 228.336 0.999 20 0 BCADHN CSCC[C@@H](N)C(=O)NC[C@@]1(C)CCCO1 ZINC000159638156 384459372 /nfs/dbraw/zinc/45/93/72/384459372.db2.gz USTHRSBKGAXGJL-MWLCHTKSSA-N 0 3 246.376 0.752 20 0 BCADHN CC[C@@H](N[C@H]1CCOC1(C)C)C(N)=O ZINC000336888263 384497296 /nfs/dbraw/zinc/49/72/96/384497296.db2.gz DZHVVBMZHRTCKW-SFYZADRCSA-N 0 3 200.282 0.407 20 0 BCADHN CC(C)CCS(=O)(=O)C(C)C(=O)N(C)C ZINC000097325408 384511681 /nfs/dbraw/zinc/51/16/81/384511681.db2.gz RNWOXTTUWYOBMP-VIFPVBQESA-N 0 3 235.349 0.924 20 0 BCADHN CN(C)CCNC(=O)Nc1ccc(F)cn1 ZINC000122683727 384502552 /nfs/dbraw/zinc/50/25/52/384502552.db2.gz CNNFRYUBCHDBOH-UHFFFAOYSA-N 0 3 226.255 0.904 20 0 BCADHN Cn1cncc1CN1CCCC[C@H]1C(=N)NO ZINC000372309524 384505090 /nfs/dbraw/zinc/50/50/90/384505090.db2.gz OLBQDSDPTBSGGJ-JTQLQIEISA-N 0 3 237.307 0.731 20 0 BCADHN CC(C)c1nc(S(=O)(=O)[N-]C[C@@H](C)[NH3+])c[nH]1 ZINC000647273452 384508126 /nfs/dbraw/zinc/50/81/26/384508126.db2.gz QOPYKTYOXKKCKO-SSDOTTSWSA-N 0 3 246.336 0.159 20 0 BCADHN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)CN ZINC000122745930 384508646 /nfs/dbraw/zinc/50/86/46/384508646.db2.gz HPLCLFNVIXABMI-KCJUWKMLSA-N 0 3 240.278 0.713 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CCc2n[nH]cc2C1 ZINC000335706507 384486514 /nfs/dbraw/zinc/48/65/14/384486514.db2.gz FOEOZASRCINDDN-JTQLQIEISA-N 0 3 236.319 0.668 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCc2n[nH]cc2C1 ZINC000335706705 384486705 /nfs/dbraw/zinc/48/67/05/384486705.db2.gz ZTZUOLUQZZCAIM-LBPRGKRZSA-N 0 3 236.319 0.812 20 0 BCADHN Cc1cnc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cn1 ZINC000357423739 384535493 /nfs/dbraw/zinc/53/54/93/384535493.db2.gz VUFKFJOBERYMHP-MNOVXSKESA-N 0 3 248.330 0.998 20 0 BCADHN O=S(=O)(CC1CCCCC1)NC1CNC1 ZINC000085256431 384513185 /nfs/dbraw/zinc/51/31/85/384513185.db2.gz QRBAKGYTGFJUGX-UHFFFAOYSA-N 0 3 232.349 0.458 20 0 BCADHN O=S(=O)(NC1CNC1)c1ccc(Cl)cc1 ZINC000085256409 384513507 /nfs/dbraw/zinc/51/35/07/384513507.db2.gz PBQUPLISIKRTKC-UHFFFAOYSA-N 0 3 246.719 0.590 20 0 BCADHN Cc1cccc(S(=O)(=O)NC2CNC2)c1 ZINC000085256354 384513528 /nfs/dbraw/zinc/51/35/28/384513528.db2.gz JMZPZNUQPLRTMC-UHFFFAOYSA-N 0 3 226.301 0.245 20 0 BCADHN Cc1ncc(CNC[C@@H]2COCCN2)s1 ZINC000083874637 384536896 /nfs/dbraw/zinc/53/68/96/384536896.db2.gz KZOCTNVAPUTVMK-SECBINFHSA-N 0 3 227.333 0.530 20 0 BCADHN C[C@H](O)[C@H]1CCCN(CCn2cncn2)C1 ZINC000533538761 384518589 /nfs/dbraw/zinc/51/85/89/384518589.db2.gz FEACZEQZLBZPKY-QWRGUYRKSA-N 0 3 224.308 0.371 20 0 BCADHN C[C@H](O)[C@H]1CCCN([C@H]2CCN(C)C2=O)C1 ZINC000533538823 384520573 /nfs/dbraw/zinc/52/05/73/384520573.db2.gz SZSWQWPLRQSBRJ-DCAQKATOSA-N 0 3 226.320 0.310 20 0 BCADHN CCC[C@H](C(=O)NCc1cnn(C)c1)N(C)C ZINC000161740032 384522210 /nfs/dbraw/zinc/52/22/10/384522210.db2.gz HSDLZHPSYJJLPR-LLVKDONJSA-N 0 3 238.335 0.767 20 0 BCADHN C[C@H](CN[C@H]1CCn2ccnc21)N(C)C ZINC000294096179 384524092 /nfs/dbraw/zinc/52/40/92/384524092.db2.gz MJTIBMMIFWVYFD-ZJUUUORDSA-N 0 3 208.309 0.868 20 0 BCADHN CC(C)[C@@H](N)c1cn([C@H]2CCOC2)nn1 ZINC000300739418 384526809 /nfs/dbraw/zinc/52/68/09/384526809.db2.gz AQNWIBSOWIIJQW-WCBMZHEXSA-N 0 3 210.281 0.895 20 0 BCADHN COc1ncncc1CNC[C@@H](C)N(C)C ZINC000647179725 384530288 /nfs/dbraw/zinc/53/02/88/384530288.db2.gz MKKHIWWOJLVYSQ-SECBINFHSA-N 0 3 224.308 0.525 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC[C@@H](CO)CC1 ZINC000336119827 384532949 /nfs/dbraw/zinc/53/29/49/384532949.db2.gz SXSIDQHSIOHUHT-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN CCN(CCO)CCNC(=O)c1ccsc1 ZINC000183962151 384546093 /nfs/dbraw/zinc/54/60/93/384546093.db2.gz ULZDNLAIGWRWMI-UHFFFAOYSA-N 0 3 242.344 0.792 20 0 BCADHN CCC(CC)NC(=O)C[C@H]1CNCCO1 ZINC000085618741 384546980 /nfs/dbraw/zinc/54/69/80/384546980.db2.gz UWBIEAJCDFCBPS-JTQLQIEISA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@H](C)N(C)C(=O)C[C@@H]1CNCCO1 ZINC000085619113 384547089 /nfs/dbraw/zinc/54/70/89/384547089.db2.gz XUJSABYTWIIIKA-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N1CCCCC1 ZINC000085618923 384547238 /nfs/dbraw/zinc/54/72/38/384547238.db2.gz HZXSIEUUGQBDMP-SNVBAGLBSA-N 0 3 212.293 0.377 20 0 BCADHN C[C@H]1CCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000085619713 384547397 /nfs/dbraw/zinc/54/73/97/384547397.db2.gz AKJLHEZBFDMYBS-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN CC[C@@H](C)NC(=O)C[C@@H]1CNCCO1 ZINC000085618705 384547411 /nfs/dbraw/zinc/54/74/11/384547411.db2.gz NYRZHTPLZDPKKJ-RKDXNWHRSA-N 0 3 200.282 0.280 20 0 BCADHN CC[C@H](C)CNC(=O)C[C@H]1CNCCO1 ZINC000085620087 384547971 /nfs/dbraw/zinc/54/79/71/384547971.db2.gz ZRIWUJPVRZSHNW-UWVGGRQHSA-N 0 3 214.309 0.527 20 0 BCADHN CSCCCNC(=O)C[C@@H]1CSCCN1 ZINC000085614529 384548058 /nfs/dbraw/zinc/54/80/58/384548058.db2.gz HCRKPPAKMFRZNK-SECBINFHSA-N 0 3 248.417 0.951 20 0 BCADHN CN(C(=O)C[C@@H]1CSCCN1)C1CC1 ZINC000085612892 384548591 /nfs/dbraw/zinc/54/85/91/384548591.db2.gz CVWJPRIOSUXCJR-MRVPVSSYSA-N 0 3 214.334 0.702 20 0 BCADHN CCCCNC(=O)C[C@H]1CNCCO1 ZINC000085618864 384548636 /nfs/dbraw/zinc/54/86/36/384548636.db2.gz HMCBXSYOTBIPKK-VIFPVBQESA-N 0 3 200.282 0.281 20 0 BCADHN C[C@@H]1[C@H](CO)CCN1Cc1cncn1C ZINC000335883516 384548766 /nfs/dbraw/zinc/54/87/66/384548766.db2.gz BYGLTJJHWIUMLE-ZJUUUORDSA-N 0 3 209.293 0.623 20 0 BCADHN CCN(CC)C(=O)[C@@H](N)CCC(=O)OC ZINC000238230557 384550862 /nfs/dbraw/zinc/55/08/62/384550862.db2.gz OYSQDYSZSUIBGJ-QMMMGPOBSA-N 0 3 216.281 0.135 20 0 BCADHN CC(C)n1nccc1CNC[C@H]1COCCO1 ZINC000354216488 384555055 /nfs/dbraw/zinc/55/50/55/384555055.db2.gz MQOAIYHWFHDYNH-LBPRGKRZSA-N 0 3 239.319 0.969 20 0 BCADHN Cc1cc(C(=O)NCC2(N(C)C)CC2)ncn1 ZINC000517897523 384557822 /nfs/dbraw/zinc/55/78/22/384557822.db2.gz ZILFXQKGKNYSTE-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN CN(CC1CCC1)C(=O)C1(N)CCOCC1 ZINC000149719432 384559848 /nfs/dbraw/zinc/55/98/48/384559848.db2.gz GCTGJEXMDHCIQC-UHFFFAOYSA-N 0 3 226.320 0.753 20 0 BCADHN CCN(CC1CC1)C(=O)C1(N)CCOCC1 ZINC000149728920 384560190 /nfs/dbraw/zinc/56/01/90/384560190.db2.gz QDPXDEVBRMCDCC-UHFFFAOYSA-N 0 3 226.320 0.753 20 0 BCADHN Cc1ncsc1CNC[C@H]1COCCN1 ZINC000083874977 384538470 /nfs/dbraw/zinc/53/84/70/384538470.db2.gz RNVRKRZCGNZQOE-VIFPVBQESA-N 0 3 227.333 0.530 20 0 BCADHN CSC[C@@H](O)CN1CCCOCC1 ZINC000308294423 384571970 /nfs/dbraw/zinc/57/19/70/384571970.db2.gz HERNEZOSHXCEGH-VIFPVBQESA-N 0 3 205.323 0.433 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@H]1CN(CC)C[C@@H]1C ZINC000644189352 384573001 /nfs/dbraw/zinc/57/30/01/384573001.db2.gz UTAODNYWGIHNSP-DCAQKATOSA-N 0 3 243.351 0.397 20 0 BCADHN CSC[C@H](O)CN1CCCOCC1 ZINC000308294422 384573002 /nfs/dbraw/zinc/57/30/02/384573002.db2.gz HERNEZOSHXCEGH-SECBINFHSA-N 0 3 205.323 0.433 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@@H]1CN(CC)C[C@H]1C ZINC000644189354 384573466 /nfs/dbraw/zinc/57/34/66/384573466.db2.gz UTAODNYWGIHNSP-OUAUKWLOSA-N 0 3 243.351 0.397 20 0 BCADHN COC[C@@H](CO)NC[C@@H](O)Cc1ccccc1 ZINC000647526826 384590531 /nfs/dbraw/zinc/59/05/31/384590531.db2.gz LVXVKXMWWVNFJS-OLZOCXBDSA-N 0 3 239.315 0.187 20 0 BCADHN C[C@H](CNC(=O)c1cc[nH]c(=O)c1)N(C)C1CC1 ZINC000154102857 384577197 /nfs/dbraw/zinc/57/71/97/384577197.db2.gz CGYVGOKSVSUAOT-SECBINFHSA-N 0 3 249.314 0.587 20 0 BCADHN C[C@H](C[C@H](C)O)NC[C@H](C)S(C)(=O)=O ZINC000647525552 384578134 /nfs/dbraw/zinc/57/81/34/384578134.db2.gz MHGMLZPTBFBYTM-VGMNWLOBSA-N 0 3 223.338 0.169 20 0 BCADHN CN(C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000085956999 384587768 /nfs/dbraw/zinc/58/77/68/384587768.db2.gz IZRHPEXUQDCZPB-SNVBAGLBSA-N 0 3 207.277 0.958 20 0 BCADHN C[C@@H]1C[C@@H](N[C@@H]2CC(=O)N(C)C2)CS1 ZINC000307415276 384588083 /nfs/dbraw/zinc/58/80/83/384588083.db2.gz IMLNFSPUJKGMLU-IWSPIJDZSA-N 0 3 214.334 0.701 20 0 BCADHN CC[C@H](COC)NCC1(S(C)(=O)=O)CCC1 ZINC000309724287 384567302 /nfs/dbraw/zinc/56/73/02/384567302.db2.gz XGWAFKFSUBILHV-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN CC[C@@H](CN[C@@H](C)CS(C)(=O)=O)OC ZINC000336650273 384604498 /nfs/dbraw/zinc/60/44/98/384604498.db2.gz ANQBQKCQBFJJDS-IUCAKERBSA-N 0 3 223.338 0.434 20 0 BCADHN CCO[C@@H]1C[C@@H](NC(=O)CN)C12CCCC2 ZINC000236849688 384605260 /nfs/dbraw/zinc/60/52/60/384605260.db2.gz HMAQRMPYFLCIDS-NXEZZACHSA-N 0 3 226.320 0.799 20 0 BCADHN CC(C)[C@H](CO)NCC(=O)N1CCCC1 ZINC000086124568 384605667 /nfs/dbraw/zinc/60/56/67/384605667.db2.gz ARXDHNSUEOVQSE-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN C[C@H](CNCC1(CCO)CCC1)S(C)(=O)=O ZINC000647530421 384609627 /nfs/dbraw/zinc/60/96/27/384609627.db2.gz ICKJZNWQBKDZNW-SNVBAGLBSA-N 0 3 249.376 0.562 20 0 BCADHN CC(C)N1C[C@H](N[C@H]2CO[C@H](C)C2)CC1=O ZINC000647185101 384612072 /nfs/dbraw/zinc/61/20/72/384612072.db2.gz ONUJFNVVEREKAY-GMTAPVOTSA-N 0 3 226.320 0.763 20 0 BCADHN CC(C)N1C[C@@H](N[C@H]2CO[C@H](C)C2)CC1=O ZINC000647185103 384612313 /nfs/dbraw/zinc/61/23/13/384612313.db2.gz ONUJFNVVEREKAY-OUAUKWLOSA-N 0 3 226.320 0.763 20 0 BCADHN COC(=O)CNC(=O)CN1C[C@@H]2CCC[C@H]2C1 ZINC000154349960 384612551 /nfs/dbraw/zinc/61/25/51/384612551.db2.gz GVSSHGNUENPGSB-UWVGGRQHSA-N 0 3 240.303 0.008 20 0 BCADHN CNC(=O)C1CCN(Cc2c[nH]nc2C)CC1 ZINC000408062394 384615682 /nfs/dbraw/zinc/61/56/82/384615682.db2.gz ONMGBUNSGIFMLJ-UHFFFAOYSA-N 0 3 236.319 0.676 20 0 BCADHN O=S(=O)(c1cscn1)N1CCCNCC1 ZINC000647185550 384616186 /nfs/dbraw/zinc/61/61/86/384616186.db2.gz GSYCFRQBMQXZAZ-UHFFFAOYSA-N 0 3 247.345 0.127 20 0 BCADHN CCO[C@H](CC)C(=O)NC[C@@](C)(O)CN(C)C ZINC000533570313 384617302 /nfs/dbraw/zinc/61/73/02/384617302.db2.gz PYWXJPZANAOUFM-ZYHUDNBSSA-N 0 3 246.351 0.230 20 0 BCADHN OCCO[C@@H]1CCCN(CCOCC2CC2)C1 ZINC000172816101 384617359 /nfs/dbraw/zinc/61/73/59/384617359.db2.gz WMPYVZBRCVZTII-CYBMUJFWSA-N 0 3 243.347 0.886 20 0 BCADHN COCC(=O)N(C)C[C@H]1CCCN1C ZINC000086190308 384617741 /nfs/dbraw/zinc/61/77/41/384617741.db2.gz IZBUTARTLJRHOO-SECBINFHSA-N 0 3 200.282 0.185 20 0 BCADHN CC[C@@H](C)NC(=O)CN[C@@](C)(CCO)COC ZINC000176372632 384622211 /nfs/dbraw/zinc/62/22/11/384622211.db2.gz UUHZYEPLHZJDRH-PWSUYJOCSA-N 0 3 246.351 0.278 20 0 BCADHN CC[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(N)=O ZINC000234039105 384628313 /nfs/dbraw/zinc/62/83/13/384628313.db2.gz ORQNRLCNVHJPHK-IVZWLZJFSA-N 0 3 212.293 0.407 20 0 BCADHN CC(C)CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358062363 384628635 /nfs/dbraw/zinc/62/86/35/384628635.db2.gz HUBWEEBOPMCBTN-NSHDSACASA-N 0 3 214.309 0.215 20 0 BCADHN CN(Cc1cscn1)C(=O)[C@@H]1C[C@@H]1N ZINC000050465264 384629049 /nfs/dbraw/zinc/62/90/49/384629049.db2.gz AFCRVJRPBUZXEW-SFYZADRCSA-N 0 3 211.290 0.449 20 0 BCADHN CC(C)[C@@](C)(NCCc1ccnn1C)C(N)=O ZINC000302669546 384630399 /nfs/dbraw/zinc/63/03/99/384630399.db2.gz KZYMAYFNIHHNQQ-GFCCVEGCSA-N 0 3 238.335 0.452 20 0 BCADHN C[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C1CCC1 ZINC000517960107 384591737 /nfs/dbraw/zinc/59/17/37/384591737.db2.gz NOPVWRIIKUDSBN-DLOVCJGASA-N 0 3 240.347 0.556 20 0 BCADHN COC[C@@H](O)CN(C)CCc1ccncc1 ZINC000050120553 384593168 /nfs/dbraw/zinc/59/31/68/384593168.db2.gz IBGDRCUGIOZZMF-LBPRGKRZSA-N 0 3 224.304 0.563 20 0 BCADHN O=C(NCc1c[nH]cn1)[C@@H]1CNCCC1(F)F ZINC000648154598 384596116 /nfs/dbraw/zinc/59/61/16/384596116.db2.gz OGHRPGSRKDWREB-QMMMGPOBSA-N 0 3 244.245 0.271 20 0 BCADHN Cn1cnc(CCCNCc2ccccn2)n1 ZINC000647230659 384596735 /nfs/dbraw/zinc/59/67/35/384596735.db2.gz FMGOYIFLSDNRDN-UHFFFAOYSA-N 0 3 231.303 0.933 20 0 BCADHN C[C@H](CN[C@@H]1CCC[C@@]1(C)CO)S(C)(=O)=O ZINC000647528818 384600636 /nfs/dbraw/zinc/60/06/36/384600636.db2.gz IOSIEOGAZRFZJG-MXWKQRLJSA-N 0 3 249.376 0.560 20 0 BCADHN COC(=O)[C@H](NC(=O)[C@H](C)N)c1ccccc1 ZINC000050512329 384632362 /nfs/dbraw/zinc/63/23/62/384632362.db2.gz JTZMMAGHJSNYNZ-WCBMZHEXSA-N 0 3 236.271 0.364 20 0 BCADHN Cc1n[nH]cc1CN[C@H](CO)[C@@H]1CCCO1 ZINC000309844505 384664328 /nfs/dbraw/zinc/66/43/28/384664328.db2.gz FWRWXEQQLVUILE-MNOVXSKESA-N 0 3 225.292 0.348 20 0 BCADHN Cc1nc(CN[C@H]2CCO[C@@H]2C2CC2)n[nH]1 ZINC000309845575 384664647 /nfs/dbraw/zinc/66/46/47/384664647.db2.gz GJSCIHFDPLVTIG-GXSJLCMTSA-N 0 3 222.292 0.770 20 0 BCADHN C[C@H]1C[C@H](NCC2(CS(C)(=O)=O)CC2)CO1 ZINC000647189353 384669335 /nfs/dbraw/zinc/66/93/35/384669335.db2.gz QJLFZWOXPFWLCN-UWVGGRQHSA-N 0 3 247.360 0.578 20 0 BCADHN Cc1c[nH]nc1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000644766448 384669868 /nfs/dbraw/zinc/66/98/68/384669868.db2.gz QNNSWTTUUILRPV-ZDUSSCGKSA-N 0 3 248.330 0.886 20 0 BCADHN Cn1cncc1CNCC1([S@@](C)=O)CCC1 ZINC000309851912 384670886 /nfs/dbraw/zinc/67/08/86/384670886.db2.gz JFAYHMPJJHKFJL-MRXNPFEDSA-N 0 3 241.360 0.811 20 0 BCADHN CN(C)CCNc1ncnc2[nH]ccc21 ZINC000082358969 384671145 /nfs/dbraw/zinc/67/11/45/384671145.db2.gz LVNTWNJJISNLPS-UHFFFAOYSA-N 0 3 205.265 0.931 20 0 BCADHN CCN(CC)CC(=O)NCc1nc(C)no1 ZINC000104299787 384672372 /nfs/dbraw/zinc/67/23/72/384672372.db2.gz FEBZAOIQWZDINE-UHFFFAOYSA-N 0 3 226.280 0.336 20 0 BCADHN Cc1cc(CN(CCO)CC2CC2)ncn1 ZINC000428473422 384674238 /nfs/dbraw/zinc/67/42/38/384674238.db2.gz MIJSMSWGUHZJFN-UHFFFAOYSA-N 0 3 221.304 0.989 20 0 BCADHN CCN(C)CCNC(=O)[C@@H](C)COC ZINC000103534913 384639578 /nfs/dbraw/zinc/63/95/78/384639578.db2.gz OMGHKULAPZKTJB-VIFPVBQESA-N 0 3 202.298 0.337 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCc1ccccn1 ZINC000081898798 384640425 /nfs/dbraw/zinc/64/04/25/384640425.db2.gz RSLDEPQFPUGSFE-JTQLQIEISA-N 0 3 242.344 0.647 20 0 BCADHN C[C@H](Cn1cccn1)N[C@H](C)CS(C)(=O)=O ZINC000081900417 384640734 /nfs/dbraw/zinc/64/07/34/384640734.db2.gz SJOJPSRKSIYRMF-NXEZZACHSA-N 0 3 245.348 0.294 20 0 BCADHN Cc1ccc(CN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000086331499 384640839 /nfs/dbraw/zinc/64/08/39/384640839.db2.gz XZSYLKXDYSPJAR-TXEJJXNPSA-N 0 3 207.273 0.532 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]CC[C@@H](C)[NH3+])o1 ZINC000309815208 384643716 /nfs/dbraw/zinc/64/37/16/384643716.db2.gz VCRVQLDBFSKBIT-SSDOTTSWSA-N 0 3 232.305 0.604 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)CCOC ZINC000101520315 384675383 /nfs/dbraw/zinc/67/53/83/384675383.db2.gz BCNXCXRNRCXRNT-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN C[C@H](C(=O)N[C@@H](C)C(N)=O)N1[C@H](C)CC[C@H]1C ZINC000310161441 384647261 /nfs/dbraw/zinc/64/72/61/384647261.db2.gz QHGJSIDTZRXWKH-DOLQZWNJSA-N 0 3 241.335 0.238 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCCCO2)C1 ZINC000561314850 384650099 /nfs/dbraw/zinc/65/00/99/384650099.db2.gz DDQUVAZWAGPXRC-SNVBAGLBSA-N 0 3 212.293 0.882 20 0 BCADHN CC(C)c1cc(C(=O)N2CCCNCC2)[nH]n1 ZINC000082239525 384650503 /nfs/dbraw/zinc/65/05/03/384650503.db2.gz GTJPHKXGRBUZSH-UHFFFAOYSA-N 0 3 236.319 0.969 20 0 BCADHN Cn1nccc1CNCCn1ccnc1 ZINC000041050956 384652960 /nfs/dbraw/zinc/65/29/60/384652960.db2.gz DPBIAKDAXJRPLF-UHFFFAOYSA-N 0 3 205.265 0.406 20 0 BCADHN Cc1nnc(NC(=O)[C@@H]2CCCCN2)s1 ZINC000082259263 384653803 /nfs/dbraw/zinc/65/38/03/384653803.db2.gz SEQBGUQIKHEIBN-ZETCQYMHSA-N 0 3 226.305 0.927 20 0 BCADHN Cc1n[nH]cc1CNCCc1cnccn1 ZINC000309617352 384654469 /nfs/dbraw/zinc/65/44/69/384654469.db2.gz CECXTCDDLSZUBK-UHFFFAOYSA-N 0 3 217.276 0.840 20 0 BCADHN C[C@@H](NC(=O)CN)c1nc2ccccc2[nH]1 ZINC000082254598 384654538 /nfs/dbraw/zinc/65/45/38/384654538.db2.gz HGFJZVLQQIQDJP-SSDOTTSWSA-N 0 3 218.260 0.699 20 0 BCADHN Cn1nccc1NC(=O)[C@]1(F)CCNC1 ZINC000309618272 384656107 /nfs/dbraw/zinc/65/61/07/384656107.db2.gz FYCSJHZZIGVYQP-VIFPVBQESA-N 0 3 212.228 0.060 20 0 BCADHN CN1CCC(NC(=O)c2cncnc2)CC1 ZINC000082267326 384657067 /nfs/dbraw/zinc/65/70/67/384657067.db2.gz OEPALOBAUMTDTF-UHFFFAOYSA-N 0 3 220.276 0.301 20 0 BCADHN CC[C@@H](C)NC(=O)CN[C@@H](CO)C(C)(C)C ZINC000309618909 384657358 /nfs/dbraw/zinc/65/73/58/384657358.db2.gz CRTZWQCKSLUEPH-ZJUUUORDSA-N 0 3 230.352 0.898 20 0 BCADHN CN(C)Cc1ccc(C(=O)NCCC(N)=O)cc1 ZINC000082294009 384662170 /nfs/dbraw/zinc/66/21/70/384662170.db2.gz JSJZWSNRSRCVJS-UHFFFAOYSA-N 0 3 249.314 0.353 20 0 BCADHN Cc1c(CN[C@H](CO)C(C)C)cnn1C ZINC000086552188 384662288 /nfs/dbraw/zinc/66/22/88/384662288.db2.gz WOICUFHNESRRCS-LLVKDONJSA-N 0 3 211.309 0.835 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@H]2CCCCN2)no1 ZINC000125515075 384723184 /nfs/dbraw/zinc/72/31/84/384723184.db2.gz CDVAOQOTZKGSOQ-SECBINFHSA-N 0 3 238.291 0.479 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCCC1(O)CCC1 ZINC000309928266 384725775 /nfs/dbraw/zinc/72/57/75/384725775.db2.gz WQDQXBMRGLFCBB-JTQLQIEISA-N 0 3 249.376 0.704 20 0 BCADHN Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cn1 ZINC000556975202 384725866 /nfs/dbraw/zinc/72/58/66/384725866.db2.gz NXPKMUPKFAQLDG-RYUDHWBXSA-N 0 3 249.314 0.137 20 0 BCADHN CC1CCN(CCNC(=O)C(C)(C)O)CC1 ZINC000427506873 384677798 /nfs/dbraw/zinc/67/77/98/384677798.db2.gz QBIJWTWYSAOMDG-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@@H](NCC(=O)N1CCC1)[C@@H]1CCCO1 ZINC000309865265 384678388 /nfs/dbraw/zinc/67/83/88/384678388.db2.gz OGKJDNCNYYVMEY-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2CCCN(C)C2=O)CO1 ZINC000647189187 384678881 /nfs/dbraw/zinc/67/88/81/384678881.db2.gz HPWSOBIPHGRUIA-UTLUCORTSA-N 0 3 212.293 0.374 20 0 BCADHN CCN(CC)CC(=O)NC[C@@](C)(O)CCOC ZINC000173469842 384684903 /nfs/dbraw/zinc/68/49/03/384684903.db2.gz HABKCANSGRVCEE-LBPRGKRZSA-N 0 3 246.351 0.232 20 0 BCADHN C[C@H](CO)NCc1ccc2c(c1)NC(=O)CO2 ZINC000082548362 384688245 /nfs/dbraw/zinc/68/82/45/384688245.db2.gz GIFJCRBQZCTCKR-MRVPVSSYSA-N 0 3 236.271 0.488 20 0 BCADHN Cc1ccc(CNC[C@]2(O)CCN(C)C2)nc1 ZINC000358136603 384691693 /nfs/dbraw/zinc/69/16/93/384691693.db2.gz LKJBJJJERJFZNN-CYBMUJFWSA-N 0 3 235.331 0.546 20 0 BCADHN Cc1nnc(CCNCc2ccnn2C)s1 ZINC000309882926 384692118 /nfs/dbraw/zinc/69/21/18/384692118.db2.gz WKORXLLFXQUIPR-UHFFFAOYSA-N 0 3 237.332 0.912 20 0 BCADHN CCN(CCNC(=O)c1ccnn1C)C1CC1 ZINC000101956885 384696200 /nfs/dbraw/zinc/69/62/00/384696200.db2.gz YZZSHTYIJKHVCG-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN COC(=O)CCN(CC(C)C)C(=O)[C@@H]1C[C@@H]1N ZINC000050462766 384697237 /nfs/dbraw/zinc/69/72/37/384697237.db2.gz ZMBYLDHOZYSDID-ZJUUUORDSA-N 0 3 242.319 0.381 20 0 BCADHN C[C@H](N)C(=O)N1CCN(C)c2ccccc21 ZINC000082605181 384697739 /nfs/dbraw/zinc/69/77/39/384697739.db2.gz YUBFKEFPSKOKMW-VIFPVBQESA-N 0 3 219.288 0.817 20 0 BCADHN CC(C)(O)CNCc1cnc2cnccn12 ZINC000125127191 384698685 /nfs/dbraw/zinc/69/86/85/384698685.db2.gz BPBMZNAXCJNOKA-UHFFFAOYSA-N 0 3 220.276 0.590 20 0 BCADHN C[C@H]1[C@H](C)N(CCN2CCOCC2)CCN1C ZINC000357001845 384702180 /nfs/dbraw/zinc/70/21/80/384702180.db2.gz MUUPVKUFIFNHMM-STQMWFEESA-N 0 3 241.379 0.343 20 0 BCADHN CC[C@H](N)c1cn(C[C@@H](O)C(C)C)nn1 ZINC000300913336 384702256 /nfs/dbraw/zinc/70/22/56/384702256.db2.gz SDKATMFECVQXRK-WCBMZHEXSA-N 0 3 212.297 0.705 20 0 BCADHN CO[C@H](C)CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000487939172 533084543 /nfs/dbraw/zinc/08/45/43/533084543.db2.gz ASJLEPANACJFOF-VXGBXAGGSA-N 0 3 244.379 0.798 20 0 BCADHN CC(C)(O)CN1CCO[C@]2(CCSC2)C1 ZINC000335407264 384707599 /nfs/dbraw/zinc/70/75/99/384707599.db2.gz ITJWCBTUGNLWHL-LLVKDONJSA-N 0 3 231.361 0.965 20 0 BCADHN Cn1nccc1CN[C@@H]1CCCC[C@@H]1O ZINC000051997653 384708588 /nfs/dbraw/zinc/70/85/88/384708588.db2.gz FPPOOWINGYKGPL-MNOVXSKESA-N 0 3 209.293 0.813 20 0 BCADHN Cc1cc(CN[C@H]2CO[C@@H](C)C2)n(C)n1 ZINC000335425913 384709737 /nfs/dbraw/zinc/70/97/37/384709737.db2.gz MSBJUTIHFUXILR-VHSXEESVSA-N 0 3 209.293 0.996 20 0 BCADHN CCc1[nH]n(C)c2nnc(NC(=O)[C@H]3CCN3)c1-2 ZINC000648155293 384709908 /nfs/dbraw/zinc/70/99/08/384709908.db2.gz IYVVESXZZRNZKC-SSDOTTSWSA-N 0 3 248.290 0.159 20 0 BCADHN CS[C@H](CO)[C@H](C)NCc1c(C)cnn1C ZINC000309921019 384716026 /nfs/dbraw/zinc/71/60/26/384716026.db2.gz RZXLTNOHCJAQFA-GXSJLCMTSA-N 0 3 243.376 0.931 20 0 BCADHN COc1ncncc1CN[C@H](C)CCCO ZINC000647191235 384718962 /nfs/dbraw/zinc/71/89/62/384718962.db2.gz IFAWVBPNJSVLBD-SECBINFHSA-N 0 3 225.292 0.736 20 0 BCADHN CCC(CC)C(=O)N1CCN(C)C[C@H]1CN ZINC000087613579 384776248 /nfs/dbraw/zinc/77/62/48/384776248.db2.gz DNTXEFBVZUFGRW-LLVKDONJSA-N 0 3 227.352 0.524 20 0 BCADHN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)[C@H](C)N ZINC000518181096 384776399 /nfs/dbraw/zinc/77/63/99/384776399.db2.gz VCWDUAXXOCYRDS-JGVFFNPUSA-N 0 3 229.324 0.095 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N(C)Cc2cc[nH]n2)C1 ZINC000335047570 384780860 /nfs/dbraw/zinc/78/08/60/384780860.db2.gz WNKKAKLNFJSLGE-MWLCHTKSSA-N 0 3 236.319 0.756 20 0 BCADHN CN[C@@H](C)C(=O)NCCN(C)c1ccccc1 ZINC000054076305 384729483 /nfs/dbraw/zinc/72/94/83/384729483.db2.gz HBAIQDWCZAYRFJ-NSHDSACASA-N 0 3 235.331 0.847 20 0 BCADHN COc1cccc(C(=O)NC[C@@H](C)C[NH3+])c1[O-] ZINC000054140040 384733508 /nfs/dbraw/zinc/73/35/08/384733508.db2.gz XEFJBIKYWUBTRS-QMMMGPOBSA-N 0 3 238.287 0.725 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C ZINC000230195430 384735832 /nfs/dbraw/zinc/73/58/32/384735832.db2.gz PSBFGXQJFNJDKT-ONGXEEELSA-N 0 3 249.314 0.587 20 0 BCADHN C[NH2+]CCNC(=O)c1cc(OC)ccc1[O-] ZINC000054244077 384740333 /nfs/dbraw/zinc/74/03/33/384740333.db2.gz BECBEPKFYYMINE-UHFFFAOYSA-N 0 3 224.260 0.350 20 0 BCADHN CC(C)[C@](C)(NCCOCC(F)F)C(N)=O ZINC000309696378 384740593 /nfs/dbraw/zinc/74/05/93/384740593.db2.gz RKIOYZBXUUFALE-JTQLQIEISA-N 0 3 238.278 0.758 20 0 BCADHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)N(C)C)C1(C)C ZINC000300390063 384742507 /nfs/dbraw/zinc/74/25/07/384742507.db2.gz QZCUAKGITJHXHH-KXUCPTDWSA-N 0 3 228.336 0.866 20 0 BCADHN Nc1cc(CN2CCC(CO)CC2)ccn1 ZINC000052709530 384742782 /nfs/dbraw/zinc/74/27/82/384742782.db2.gz ARPUHEVFELAJIC-UHFFFAOYSA-N 0 3 221.304 0.868 20 0 BCADHN CO[C@@H]1CCN(CCOCCO)[C@@H](C)C1 ZINC000300958208 384743474 /nfs/dbraw/zinc/74/34/74/384743474.db2.gz VBDVSZBZOOCGPP-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN CO[C@H]1CCN(CCOCCO)[C@@H](C)C1 ZINC000300958205 384743645 /nfs/dbraw/zinc/74/36/45/384743645.db2.gz VBDVSZBZOOCGPP-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN Nc1cc(CN2CCC[C@H](CO)C2)ccn1 ZINC000052709492 384743659 /nfs/dbraw/zinc/74/36/59/384743659.db2.gz KRKDUENLGQHTMT-NSHDSACASA-N 0 3 221.304 0.868 20 0 BCADHN C[C@@H]1CN(C(=O)c2cnn(C)c2)[C@@H](C)CN1 ZINC000083118434 384744265 /nfs/dbraw/zinc/74/42/65/384744265.db2.gz JVHLKMYIWLTYPI-BDAKNGLRSA-N 0 3 222.292 0.243 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000309968326 384749040 /nfs/dbraw/zinc/74/90/40/384749040.db2.gz OIDRPJMMRSTTAQ-AEJSXWLSSA-N 0 3 249.376 0.965 20 0 BCADHN CC(C)(C)[C@H](CO)NCC(=O)NCC1CC1 ZINC000309710503 384752589 /nfs/dbraw/zinc/75/25/89/384752589.db2.gz WXWXVLMBBLRSOE-JTQLQIEISA-N 0 3 228.336 0.509 20 0 BCADHN CC[C@H](CO)NCc1cnc(N(C)C)nc1 ZINC000309964214 384752685 /nfs/dbraw/zinc/75/26/85/384752685.db2.gz MRAGDNIHOXHGAU-SNVBAGLBSA-N 0 3 224.308 0.403 20 0 BCADHN COC[C@H](C)N[C@@H](CO)CC(F)(F)F ZINC000308494164 384752936 /nfs/dbraw/zinc/75/29/36/384752936.db2.gz CQPPUEJZVKQLIU-NKWVEPMBSA-N 0 3 215.215 0.924 20 0 BCADHN COC[C@@H](C)N[C@@H](CO)CC(F)(F)F ZINC000308494167 384753075 /nfs/dbraw/zinc/75/30/75/384753075.db2.gz CQPPUEJZVKQLIU-RNFRBKRXSA-N 0 3 215.215 0.924 20 0 BCADHN CC[C@H](C(=O)N1CC(CCOC)C1)N(C)C ZINC000644768175 384754886 /nfs/dbraw/zinc/75/48/86/384754886.db2.gz NWJYVEVYXXYVAY-LLVKDONJSA-N 0 3 228.336 0.822 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)C2CCC2)CCO1 ZINC000335046009 384779919 /nfs/dbraw/zinc/77/99/19/384779919.db2.gz YFXSLBABLQVBAN-SCZZXKLOSA-N 0 3 212.293 0.361 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262704146 384770366 /nfs/dbraw/zinc/77/03/66/384770366.db2.gz BGJPLKDVSSPJOG-IONNQARKSA-N 0 3 222.292 0.541 20 0 BCADHN CO[C@@H]1[C@H](C)[C@@H](NCC(N)=O)C1(C)C ZINC000308567027 384817452 /nfs/dbraw/zinc/81/74/52/384817452.db2.gz BAMFCHDWFQLSRZ-FTLITQJKSA-N 0 3 200.282 0.121 20 0 BCADHN CNCC(=O)NCC1Cc2ccccc2C1 ZINC000083935001 384817617 /nfs/dbraw/zinc/81/76/17/384817617.db2.gz PEQHLUUFTOAGCY-UHFFFAOYSA-N 0 3 218.300 0.737 20 0 BCADHN COC[C@@H](C)N[C@H](C)C(=O)NCCF ZINC000308579752 384819137 /nfs/dbraw/zinc/81/91/37/384819137.db2.gz GADVDKKXHUSNFE-HTQZYQBOSA-N 0 3 206.261 0.085 20 0 BCADHN COC(=O)C(C)(C)CN[C@@H]1CCN(C)C1=O ZINC000151817150 384819380 /nfs/dbraw/zinc/81/93/80/384819380.db2.gz OOYNVTPBHCNKCW-MRVPVSSYSA-N 0 3 228.292 0.006 20 0 BCADHN CCN(C)CCNC(=O)c1ccccc1N ZINC000054109015 384820833 /nfs/dbraw/zinc/82/08/33/384820833.db2.gz UKORFNXJPCBLJJ-UHFFFAOYSA-N 0 3 221.304 0.950 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000083939223 384821348 /nfs/dbraw/zinc/82/13/48/384821348.db2.gz GLZNIPPQYYOQBC-MRVPVSSYSA-N 0 3 247.298 0.600 20 0 BCADHN CC(C)NC(=O)CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000103285932 384826051 /nfs/dbraw/zinc/82/60/51/384826051.db2.gz RUYZVGIPMWUTQJ-UWVGGRQHSA-N 0 3 241.335 0.097 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)Cc1cnccn1 ZINC000262707931 384829301 /nfs/dbraw/zinc/82/93/01/384829301.db2.gz NVNWXCDECPOJML-LBPRGKRZSA-N 0 3 236.319 0.953 20 0 BCADHN COC[C@@H](C)N[C@@H]1CCCN(C)C1=O ZINC000308585583 384830070 /nfs/dbraw/zinc/83/00/70/384830070.db2.gz IEDGXTLTWNOLKN-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN COC[C@H](CO)N[C@@H](C)COC(C)C ZINC000308582064 384830515 /nfs/dbraw/zinc/83/05/15/384830515.db2.gz GWUBNFUQAXVVHM-UWVGGRQHSA-N 0 3 205.298 0.397 20 0 BCADHN COC[C@H](C)N[C@H]1CCCN(C)C1=O ZINC000308585582 384830557 /nfs/dbraw/zinc/83/05/57/384830557.db2.gz IEDGXTLTWNOLKN-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN CSCCC(=O)N[C@H]1CNCCC1(F)F ZINC000449655058 384830969 /nfs/dbraw/zinc/83/09/69/384830969.db2.gz GBIQJLORGVIAKR-ZETCQYMHSA-N 0 3 238.303 0.853 20 0 BCADHN COC[C@@H](O)CN1CCC[C@H]1c1cnn(C)c1 ZINC000171973129 384833214 /nfs/dbraw/zinc/83/32/14/384833214.db2.gz GRYDANUOICDJSR-RYUDHWBXSA-N 0 3 239.319 0.564 20 0 BCADHN CC[C@H](OC)C(=O)N[C@H]1CNCCC1(F)F ZINC000449658683 384835210 /nfs/dbraw/zinc/83/52/10/384835210.db2.gz BQUWUCUDALOELX-YUMQZZPRSA-N 0 3 236.262 0.525 20 0 BCADHN CS[C@@H](CO)[C@H](C)NCc1cn(C)nc1C ZINC000126252710 384783591 /nfs/dbraw/zinc/78/35/91/384783591.db2.gz RULDVAJGXUQNQQ-ONGXEEELSA-N 0 3 243.376 0.931 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1CCC[C@H]1C ZINC000174418355 384787574 /nfs/dbraw/zinc/78/75/74/384787574.db2.gz ICGLZVQOYUWYHL-SFYZADRCSA-N 0 3 213.281 0.315 20 0 BCADHN CCN1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000335064453 384788519 /nfs/dbraw/zinc/78/85/19/384788519.db2.gz DIIBCGGPTSQYAJ-NSHDSACASA-N 0 3 225.336 0.278 20 0 BCADHN NC1(C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000083836044 384799582 /nfs/dbraw/zinc/79/95/82/384799582.db2.gz NGLUZCGHCSHHJB-SNVBAGLBSA-N 0 3 223.320 0.174 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)Nc1ccccn1 ZINC000163380291 384799624 /nfs/dbraw/zinc/79/96/24/384799624.db2.gz PQMJCVICKFCTDE-JTQLQIEISA-N 0 3 235.287 0.789 20 0 BCADHN CCn1cc(NC(=O)C2(N)CC2)ccc1=O ZINC000083834733 384801306 /nfs/dbraw/zinc/80/13/06/384801306.db2.gz HDEPVZMXHUGOJR-UHFFFAOYSA-N 0 3 221.260 0.298 20 0 BCADHN CC[C@H](C[C@@H](C)CO)NCc1cnnn1C ZINC000310037588 384804103 /nfs/dbraw/zinc/80/41/03/384804103.db2.gz VGZRZHTZRLVPNS-NXEZZACHSA-N 0 3 226.324 0.702 20 0 BCADHN COC[C@H](C)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000363505986 384806343 /nfs/dbraw/zinc/80/63/43/384806343.db2.gz DIRBXNCVFVFWHV-RWMBFGLXSA-N 0 3 242.363 0.552 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCCOCC1CCC1 ZINC000648192532 384807872 /nfs/dbraw/zinc/80/78/72/384807872.db2.gz ONNSLPCUYISGTQ-NSHDSACASA-N 0 3 240.347 0.917 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000083883831 384807861 /nfs/dbraw/zinc/80/78/61/384807861.db2.gz SYUWNIMCPMANAE-ZETCQYMHSA-N 0 3 249.270 0.328 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000648194775 384810997 /nfs/dbraw/zinc/81/09/97/384810997.db2.gz DSACVJACIMBZRR-GRYCIOLGSA-N 0 3 231.299 0.745 20 0 BCADHN C[C@H](CN[C@@H]1CO[C@H](C)C1)S(C)(=O)=O ZINC000647197008 384812454 /nfs/dbraw/zinc/81/24/54/384812454.db2.gz XRIIMAPLISGVCT-HLTSFMKQSA-N 0 3 221.322 0.187 20 0 BCADHN C[C@H](CNC(=O)C1(N)CC1)CC(F)F ZINC000648193873 384812368 /nfs/dbraw/zinc/81/23/68/384812368.db2.gz NCMFHKGHUKPBJG-LURJTMIESA-N 0 3 206.236 0.885 20 0 BCADHN C[C@H](Cc1ccncc1)NC(=O)C(C)(C)N ZINC000083887996 384812480 /nfs/dbraw/zinc/81/24/80/384812480.db2.gz LLOAAAYZBZYNDH-SECBINFHSA-N 0 3 221.304 0.866 20 0 BCADHN O[C@@H](CNCCOCC1CC1)C(F)(F)F ZINC000236526907 384870271 /nfs/dbraw/zinc/87/02/71/384870271.db2.gz IUQWZWQLJVIMQH-QMMMGPOBSA-N 0 3 227.226 0.926 20 0 BCADHN C[C@@H]1C[C@@H](NC[C@@H]2CCCCS2(=O)=O)CO1 ZINC000647200447 384889562 /nfs/dbraw/zinc/88/95/62/384889562.db2.gz IGEVSDLVXCAGTF-MXWKQRLJSA-N 0 3 247.360 0.721 20 0 BCADHN CCn1ncnc1CNC(=O)C1(N)CCCC1 ZINC000648160521 384873573 /nfs/dbraw/zinc/87/35/73/384873573.db2.gz SLDVSACEVQCBLB-UHFFFAOYSA-N 0 3 237.307 0.186 20 0 BCADHN CCOCC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177104963 384873998 /nfs/dbraw/zinc/87/39/98/384873998.db2.gz IUCSGDXNIFVHKU-ZJUUUORDSA-N 0 3 226.320 0.764 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cnsn1 ZINC000186766542 384876519 /nfs/dbraw/zinc/87/65/19/384876519.db2.gz DLCZWQCBTSYMJC-UHFFFAOYSA-N 0 3 240.332 0.704 20 0 BCADHN Cn1cc(CN2CCC[C@H](CC(N)=O)C2)cn1 ZINC000175200313 384878065 /nfs/dbraw/zinc/87/80/65/384878065.db2.gz LGKYARFFMRTONT-SNVBAGLBSA-N 0 3 236.319 0.508 20 0 BCADHN Cn1cc(NC(=O)[C@@]2(F)CCNC2)ccc1=O ZINC000370797808 384878935 /nfs/dbraw/zinc/87/89/35/384878935.db2.gz AXSDJIFYRPLATB-LLVKDONJSA-N 0 3 239.250 0.025 20 0 BCADHN CCCC[C@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000305956483 384879280 /nfs/dbraw/zinc/87/92/80/384879280.db2.gz DRMSBEHBUBSLAQ-NWDGAFQWSA-N 0 3 241.379 0.914 20 0 BCADHN Cn1cc(NC(=O)[C@]2(F)CCNC2)ccc1=O ZINC000370797809 384879629 /nfs/dbraw/zinc/87/96/29/384879629.db2.gz AXSDJIFYRPLATB-NSHDSACASA-N 0 3 239.250 0.025 20 0 BCADHN CN(CCO)CCn1cc(Cl)cn1 ZINC000312902473 384880975 /nfs/dbraw/zinc/88/09/75/384880975.db2.gz QSRRMDBVNQAGOB-UHFFFAOYSA-N 0 3 203.673 0.461 20 0 BCADHN C[C@H](O)CN(C)CCn1cc(Cl)cn1 ZINC000312906532 384884532 /nfs/dbraw/zinc/88/45/32/384884532.db2.gz YWDDIIZPXGBBGZ-QMMMGPOBSA-N 0 3 217.700 0.849 20 0 BCADHN CC[C@H]1CO[C@@H](C)CN1C(=O)CNCCOC ZINC000105900086 384885991 /nfs/dbraw/zinc/88/59/91/384885991.db2.gz PTSTWEWHOHTJLA-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN C[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)[C@@H]1CCCCO1 ZINC000364036197 384887514 /nfs/dbraw/zinc/88/75/14/384887514.db2.gz JCWVMKDTKFECCQ-YTWAJWBKSA-N 0 3 244.310 0.760 20 0 BCADHN CCNC(=O)CC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000408163040 384838442 /nfs/dbraw/zinc/83/84/42/384838442.db2.gz ATUMVWRXCNNOHO-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN Cc1noc(CCNC(=O)[C@@H]2CCCCN2)n1 ZINC000225408856 384845116 /nfs/dbraw/zinc/84/51/16/384845116.db2.gz YYTBIKCMKRBWKI-VIFPVBQESA-N 0 3 238.291 0.179 20 0 BCADHN CN(C(=O)c1cn(C)nn1)[C@H]1CCN(C2CC2)C1 ZINC000518247783 384848538 /nfs/dbraw/zinc/84/85/38/384848538.db2.gz LQDWZHUXIADFTB-JTQLQIEISA-N 0 3 249.318 0.124 20 0 BCADHN Cc1csc(=O)n1CCN1CCC[C@H]1CO ZINC000104960966 384853712 /nfs/dbraw/zinc/85/37/12/384853712.db2.gz LCYDBQQGISESNC-JTQLQIEISA-N 0 3 242.344 0.675 20 0 BCADHN CC(C)N1CCN(Cc2cc[nH]n2)CC1 ZINC000127039873 384854624 /nfs/dbraw/zinc/85/46/24/384854624.db2.gz VUNHCBJMNMSWJV-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN Cn1cc(CNCCCCn2ccnc2)nn1 ZINC000054861075 384859210 /nfs/dbraw/zinc/85/92/10/384859210.db2.gz SVEWWZIPMOCCOS-UHFFFAOYSA-N 0 3 234.307 0.582 20 0 BCADHN CO[C@H]1CCCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000151891921 384861051 /nfs/dbraw/zinc/86/10/51/384861051.db2.gz POXIXPWETUDLLW-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN CCN(C)CCNC(=O)NC[C@H]1CCSC1 ZINC000448171130 384862133 /nfs/dbraw/zinc/86/21/33/384862133.db2.gz TYGWQJJHQCCLMB-SNVBAGLBSA-N 0 3 245.392 0.990 20 0 BCADHN Cc1nc(CNC(=O)[C@@H]2CCCCN2)no1 ZINC000225486098 384862950 /nfs/dbraw/zinc/86/29/50/384862950.db2.gz HEEIEDNRJPCYSG-QMMMGPOBSA-N 0 3 224.264 0.136 20 0 BCADHN CC(C)[C@H](C(=O)N(C)CC[C@@H](C)O)N(C)C ZINC000151894704 384864072 /nfs/dbraw/zinc/86/40/72/384864072.db2.gz SIEPHUSWZMDEGS-GHMZBOCLSA-N 0 3 230.352 0.802 20 0 BCADHN CO[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643729327 384864899 /nfs/dbraw/zinc/86/48/99/384864899.db2.gz WPXNADKXBMESJE-XAVMHZPKSA-N 0 3 212.293 0.263 20 0 BCADHN CO[C@@H]1C[C@H](NC(=O)[C@H](C)N)C1(C)C ZINC000225547039 384865696 /nfs/dbraw/zinc/86/56/96/384865696.db2.gz JPDUUEBYKOZYRS-BIIVOSGPSA-N 0 3 200.282 0.263 20 0 BCADHN CO[C@]1(C)C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643729335 384866175 /nfs/dbraw/zinc/86/61/75/384866175.db2.gz WVSLGNJJUCTSCG-KEPMVKOISA-N 0 3 240.347 0.996 20 0 BCADHN CC(C)N(C[C@H](C)O)C[C@H]1CN(C)C(=O)O1 ZINC000497207241 384867208 /nfs/dbraw/zinc/86/72/08/384867208.db2.gz GQPKBNWWBWPEFK-VHSXEESVSA-N 0 3 230.308 0.528 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NCCCCCO ZINC000448174622 384868069 /nfs/dbraw/zinc/86/80/69/384868069.db2.gz RSPSTTCMEVQMOW-LLVKDONJSA-N 0 3 243.351 0.542 20 0 BCADHN O[C@@H](CNCCOCC(F)F)C(F)(F)F ZINC000236526264 384869373 /nfs/dbraw/zinc/86/93/73/384869373.db2.gz CIIPNHRPMLHALI-YFKPBYRVSA-N 0 3 237.168 0.781 20 0 BCADHN CC[C@](C)(O)CN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364071286 384951027 /nfs/dbraw/zinc/95/10/27/384951027.db2.gz NDPRNJOSEQZYIP-NWDGAFQWSA-N 0 3 242.319 0.722 20 0 BCADHN CN1CCC[C@H](NC[C@@](C)(O)C(F)(F)F)C1 ZINC000644547696 384951754 /nfs/dbraw/zinc/95/17/54/384951754.db2.gz KUDPBPRPDXBTLB-DTWKUNHWSA-N 0 3 240.269 0.984 20 0 BCADHN Fc1ccc(CNC[C@@H]2CNCCO2)cc1 ZINC000258984126 384954648 /nfs/dbraw/zinc/95/46/48/384954648.db2.gz UXVALDUJTYNXGQ-LBPRGKRZSA-N 0 3 224.279 0.904 20 0 BCADHN C[C@H](CF)N[C@H]1CCC(=O)NC1(C)C ZINC000306357369 384893501 /nfs/dbraw/zinc/89/35/01/384893501.db2.gz VPZZCHZXDLFGAJ-SFYZADRCSA-N 0 3 202.273 0.991 20 0 BCADHN CO[C@H]1CCCN(C[C@H](O)CC2(O)CCC2)C1 ZINC000528374020 384894604 /nfs/dbraw/zinc/89/46/04/384894604.db2.gz UCGNYUVUTBMCIG-NEPJUHHUSA-N 0 3 243.347 0.763 20 0 BCADHN CO[C@@H]1CCCN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000528374022 384895734 /nfs/dbraw/zinc/89/57/34/384895734.db2.gz UCGNYUVUTBMCIG-NWDGAFQWSA-N 0 3 243.347 0.763 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2CC23CC3)CC1 ZINC000421904882 384895953 /nfs/dbraw/zinc/89/59/53/384895953.db2.gz ZXPNDHXYKACCPF-VIFPVBQESA-N 0 3 208.305 0.997 20 0 BCADHN CCN(CCNC(=O)[C@H](C)NC(C)=O)C1CC1 ZINC000101958852 384901901 /nfs/dbraw/zinc/90/19/01/384901901.db2.gz LIAXNJPDDYEYEJ-VIFPVBQESA-N 0 3 241.335 0.112 20 0 BCADHN Cc1cnn(C)c1CNCC1([S@@](C)=O)CC1 ZINC000309914437 384902940 /nfs/dbraw/zinc/90/29/40/384902940.db2.gz ONCMMJDWWUIILL-MRXNPFEDSA-N 0 3 241.360 0.729 20 0 BCADHN CN1C[C@H](CN2CC[C@H](O)C(C)(C)C2)OC1=O ZINC000497246685 384904410 /nfs/dbraw/zinc/90/44/10/384904410.db2.gz QNYZYVIVGGZEKJ-ZJUUUORDSA-N 0 3 242.319 0.530 20 0 BCADHN CCN(CCNC(=O)[C@@H]1CCOC1)C1CC1 ZINC000101957310 384904313 /nfs/dbraw/zinc/90/43/13/384904313.db2.gz XYCITOYECAWXAI-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@@H](C(N)=O)N1CCCN(CC)CC1 ZINC000118826446 384906083 /nfs/dbraw/zinc/90/60/83/384906083.db2.gz MAQJIZMPJOAJTE-JTQLQIEISA-N 0 3 213.325 0.278 20 0 BCADHN Cn1cc(N2CCN(CC3CC3)CC2)cn1 ZINC000156615556 384907174 /nfs/dbraw/zinc/90/71/74/384907174.db2.gz ZRBVRGJKFOJGJV-UHFFFAOYSA-N 0 3 220.320 0.952 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1CCOC1 ZINC000127670847 384911806 /nfs/dbraw/zinc/91/18/06/384911806.db2.gz PMFJXXWLKNMVHF-IUCAKERBSA-N 0 3 215.297 0.025 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCOC[C@@H](O)C1 ZINC000331936717 384959127 /nfs/dbraw/zinc/95/91/27/384959127.db2.gz XBZFRGWLJQNWSD-UWVGGRQHSA-N 0 3 217.309 0.087 20 0 BCADHN CCN(CCO)Cc1nc(C)ccc1[O-] ZINC000127953752 384917755 /nfs/dbraw/zinc/91/77/55/384917755.db2.gz VLRGUOISIOLHSM-UHFFFAOYSA-N 0 3 210.277 0.910 20 0 BCADHN CCN(CCO)Cc1nc(C)ccc1O ZINC000127953752 384917761 /nfs/dbraw/zinc/91/77/61/384917761.db2.gz VLRGUOISIOLHSM-UHFFFAOYSA-N 0 3 210.277 0.910 20 0 BCADHN C[C@@H](CF)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000644900416 384919158 /nfs/dbraw/zinc/91/91/58/384919158.db2.gz BJJHQJHDBCXPRJ-DTWKUNHWSA-N 0 3 217.288 0.738 20 0 BCADHN CCC[C@@H](O)CNC(=O)C(N)C(F)(F)F ZINC000336759017 384921034 /nfs/dbraw/zinc/92/10/34/384921034.db2.gz ZTEPLAMIGKBTHU-RITPCOANSA-N 0 3 228.214 0.153 20 0 BCADHN NCc1cccc(NC(=O)C(=O)NCC2CC2)c1 ZINC000647607251 384921878 /nfs/dbraw/zinc/92/18/78/384921878.db2.gz FANKJASUDUUQCN-UHFFFAOYSA-N 0 3 247.298 0.610 20 0 BCADHN CN(C[C@H](O)CN1CCOCC1(C)C)C1CC1 ZINC000310254266 384926404 /nfs/dbraw/zinc/92/64/04/384926404.db2.gz GIDCYIBZHPPMHR-LBPRGKRZSA-N 0 3 242.363 0.552 20 0 BCADHN Cc1ccc(S(=O)(=O)NC2CNC2)cc1 ZINC000085256445 384932145 /nfs/dbraw/zinc/93/21/45/384932145.db2.gz QYQVGVNLYRANBW-UHFFFAOYSA-N 0 3 226.301 0.245 20 0 BCADHN CCOCCN1CC[C@@H](CN2CCOC2=O)C1 ZINC000497151460 384932347 /nfs/dbraw/zinc/93/23/47/384932347.db2.gz UJUUBOUIOHQGGF-LLVKDONJSA-N 0 3 242.319 0.797 20 0 BCADHN CCN(CC)CC(=O)N(C)[C@H]1CCOC1 ZINC000106850303 384932849 /nfs/dbraw/zinc/93/28/49/384932849.db2.gz VSKIQXFNXVRMIJ-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN C[C@H](O)CN[C@@H](c1nccn1C)C1CC1 ZINC000128105064 384934142 /nfs/dbraw/zinc/93/41/42/384934142.db2.gz ZFTSNAYXVHWKLD-WCBMZHEXSA-N 0 3 209.293 0.842 20 0 BCADHN CC(C)N1C[C@H](NC[C@H](O)C(C)(C)C)CC1=O ZINC000644535996 384943454 /nfs/dbraw/zinc/94/34/54/384943454.db2.gz BAHUDPAPUYMRQZ-MNOVXSKESA-N 0 3 242.363 0.992 20 0 BCADHN CN1CCNC[C@H]1CNCc1cccc(F)c1 ZINC000258795674 384945181 /nfs/dbraw/zinc/94/51/81/384945181.db2.gz AEBASXSASFKYRD-ZDUSSCGKSA-N 0 3 237.322 0.819 20 0 BCADHN CN(C[C@H]1CCCOC1)C(=O)[C@@]1(F)CCNC1 ZINC000156738718 384945383 /nfs/dbraw/zinc/94/53/83/384945383.db2.gz UMNXWMQPVXWMRZ-ZYHUDNBSSA-N 0 3 244.310 0.573 20 0 BCADHN CN(C[C@@H]1CCCOC1)C(=O)[C@]1(F)CCNC1 ZINC000156738256 384945824 /nfs/dbraw/zinc/94/58/24/384945824.db2.gz UMNXWMQPVXWMRZ-JQWIXIFHSA-N 0 3 244.310 0.573 20 0 BCADHN COCCN[C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000152144529 384966087 /nfs/dbraw/zinc/96/60/87/384966087.db2.gz APTYDOYZQUHBGV-SNVBAGLBSA-N 0 3 247.302 0.959 20 0 BCADHN Cn1cc(CNC[C@H]2CCC[C@@H](CO)C2)nn1 ZINC000310307819 384968575 /nfs/dbraw/zinc/96/85/75/384968575.db2.gz SEBCVKTXWVBJGH-WDEREUQCSA-N 0 3 238.335 0.703 20 0 BCADHN Cn1cc(CNC[C@@H]2CCC[C@@H](CO)C2)nn1 ZINC000310307806 384969486 /nfs/dbraw/zinc/96/94/86/384969486.db2.gz SEBCVKTXWVBJGH-GHMZBOCLSA-N 0 3 238.335 0.703 20 0 BCADHN CC[C@@H](NC(=O)C1CCN(C)CC1)C(=O)OC ZINC000260026758 384971181 /nfs/dbraw/zinc/97/11/81/384971181.db2.gz OLBAZZTWHZWVTL-SNVBAGLBSA-N 0 3 242.319 0.396 20 0 BCADHN CCSCCN[C@@H]1CCC(=O)N(C)C1=O ZINC000129014721 384971580 /nfs/dbraw/zinc/97/15/80/384971580.db2.gz CMEVXWOXGCFGCH-MRVPVSSYSA-N 0 3 230.333 0.477 20 0 BCADHN Cc1cc(CNC[C@H](O)Cn2cccn2)n[nH]1 ZINC000644565050 384971784 /nfs/dbraw/zinc/97/17/84/384971784.db2.gz BJQOKJXQCAKQJW-NSHDSACASA-N 0 3 235.291 0.065 20 0 BCADHN Cc1cc(CNC[C@H](O)Cn2cccn2)[nH]n1 ZINC000644565050 384971794 /nfs/dbraw/zinc/97/17/94/384971794.db2.gz BJQOKJXQCAKQJW-NSHDSACASA-N 0 3 235.291 0.065 20 0 BCADHN CS(=O)(=O)C1(CN[C@@H]2CCCOC2)CC1 ZINC000331987739 384972792 /nfs/dbraw/zinc/97/27/92/384972792.db2.gz PRMHNPKSUAWLQX-SECBINFHSA-N 0 3 233.333 0.332 20 0 BCADHN Cc1ccc(CN2C[C@@H](O)C[C@H]2CO)s1 ZINC000187666316 384972991 /nfs/dbraw/zinc/97/29/91/384972991.db2.gz AVOWPBZHRKZKRD-UWVGGRQHSA-N 0 3 227.329 0.984 20 0 BCADHN CCC[C@](C)(N)C(=O)NCC(C)(C)C(N)=O ZINC000226319507 384973185 /nfs/dbraw/zinc/97/31/85/384973185.db2.gz KXGNGSJQOCSYTL-NSHDSACASA-N 0 3 229.324 0.132 20 0 BCADHN CC1(C)COC[C@@H]1NC[C@@H](O)C(F)(F)F ZINC000312972612 384974601 /nfs/dbraw/zinc/97/46/01/384974601.db2.gz AZDPTNFESIOGHG-NKWVEPMBSA-N 0 3 227.226 0.924 20 0 BCADHN C[C@H](N)C(=O)N1CCCO[C@@H]2CCC[C@H]21 ZINC000370698602 384975644 /nfs/dbraw/zinc/97/56/44/384975644.db2.gz HFRTZSCAUINCGF-IVZWLZJFSA-N 0 3 212.293 0.504 20 0 BCADHN CN1CC[C@](N)(C(=O)N2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000643700288 384980413 /nfs/dbraw/zinc/98/04/13/384980413.db2.gz VYLKQSRIKTVZPU-NTZNESFSSA-N 0 3 237.347 0.278 20 0 BCADHN CC[C@@H](O)CN[C@H]1CC(=O)N(C2CC2)C1 ZINC000644583563 384981292 /nfs/dbraw/zinc/98/12/92/384981292.db2.gz RRUUSKDCYYNYJV-WCBMZHEXSA-N 0 3 212.293 0.110 20 0 BCADHN C[C@H](O)[C@H](C)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000644583441 384982951 /nfs/dbraw/zinc/98/29/51/384982951.db2.gz CCPMUFNNKSINJV-XHNCKOQMSA-N 0 3 212.293 0.109 20 0 BCADHN CNS(=O)(=O)CCN[C@H]1CCC1(C)C ZINC000332017149 384985736 /nfs/dbraw/zinc/98/57/36/384985736.db2.gz HURGWTCBLWRPCL-QMMMGPOBSA-N 0 3 220.338 0.314 20 0 BCADHN OC[C@@H]1CCN(CCc2ccccc2)C[C@@H]1O ZINC000557504600 384986373 /nfs/dbraw/zinc/98/63/73/384986373.db2.gz CWQCMRZZEIPCGL-KBPBESRZSA-N 0 3 235.327 0.904 20 0 BCADHN CCC1(CNC(=O)C[C@@H]2CNCCO2)CC1 ZINC000226343814 384986763 /nfs/dbraw/zinc/98/67/63/384986763.db2.gz FYNPWVWJLNWZOV-SNVBAGLBSA-N 0 3 226.320 0.671 20 0 BCADHN CC[C@@H](O)CN[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000644581537 384987304 /nfs/dbraw/zinc/98/73/04/384987304.db2.gz DMYPTWYLTVWIGE-VHSXEESVSA-N 0 3 228.336 0.746 20 0 BCADHN CC1(C)CN(CCCO)CCN1CCCO ZINC000148151372 384987801 /nfs/dbraw/zinc/98/78/01/384987801.db2.gz BLJKUULCSRORMU-UHFFFAOYSA-N 0 3 230.352 0.147 20 0 BCADHN Cc1n[nH]cc1CN[C@@H](C)CC[S@@](C)=O ZINC000130149027 385022489 /nfs/dbraw/zinc/02/24/89/385022489.db2.gz INFWNXJSYHMBNY-AYVTZFPOSA-N 0 3 229.349 0.965 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H]1CCO[C@@H]1C ZINC000647242304 384997136 /nfs/dbraw/zinc/99/71/36/384997136.db2.gz OPXSBIZRXWZXSF-UTINFBMNSA-N 0 3 201.266 0.167 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H]1CCO[C@H]1C ZINC000647242302 384998461 /nfs/dbraw/zinc/99/84/61/384998461.db2.gz OPXSBIZRXWZXSF-AXTSPUMRSA-N 0 3 201.266 0.167 20 0 BCADHN COC[C@H](O)CNCc1ccn2ccnc2c1 ZINC000644597928 385000675 /nfs/dbraw/zinc/00/06/75/385000675.db2.gz BVGWMMNBRZBQNM-LLVKDONJSA-N 0 3 235.287 0.431 20 0 BCADHN COc1ncncc1CN[C@@H]1CCOC[C@H]1C ZINC000647206157 385022682 /nfs/dbraw/zinc/02/26/82/385022682.db2.gz JHRRYDBEATYKIX-MWLCHTKSSA-N 0 3 237.303 1.000 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H](C)[C@@H](C)OC ZINC000129564122 385004604 /nfs/dbraw/zinc/00/46/04/385004604.db2.gz LJYAAHCJTSBUNS-IVZWLZJFSA-N 0 3 237.365 0.823 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCc1cnn(C)c1 ZINC000128144942 385005450 /nfs/dbraw/zinc/00/54/50/385005450.db2.gz HUKTZSZPTOMSCS-GFCCVEGCSA-N 0 3 238.335 0.596 20 0 BCADHN CCCCNC(=O)CN[C@@](C)(CCO)COC ZINC000177407357 385005561 /nfs/dbraw/zinc/00/55/61/385005561.db2.gz METUZGVJJWJKKA-LBPRGKRZSA-N 0 3 246.351 0.280 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)C[C@H](C)C(=O)NC ZINC000226382003 385006344 /nfs/dbraw/zinc/00/63/44/385006344.db2.gz SNIKLLXGJLVPDB-CABZTGNLSA-N 0 3 243.351 0.344 20 0 BCADHN CC(C)C[C@H](CO)NCc1cnnn1C ZINC000129725224 385007174 /nfs/dbraw/zinc/00/71/74/385007174.db2.gz VICRTKCXGMQTTQ-SECBINFHSA-N 0 3 212.297 0.312 20 0 BCADHN Cn1nncc1CNCCc1ccco1 ZINC000129689502 385007785 /nfs/dbraw/zinc/00/77/85/385007785.db2.gz LLWXWPWJRCNARC-UHFFFAOYSA-N 0 3 206.249 0.740 20 0 BCADHN CS(=O)(=O)NCCN1CCC[C@@H]2CCC[C@H]21 ZINC000247207949 385010275 /nfs/dbraw/zinc/01/02/75/385010275.db2.gz 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BCADHN CCC[C@H](C(=O)NC[C@H](CO)C1CC1)N(C)C ZINC000358358499 385017678 /nfs/dbraw/zinc/01/76/78/385017678.db2.gz TZOYFFAQWUARBA-VXGBXAGGSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H](O)CCN1CCC[C@H](OC(=O)N(C)C)C1 ZINC000497135434 385019676 /nfs/dbraw/zinc/01/96/76/385019676.db2.gz XQDHCQJDUVANDE-MNOVXSKESA-N 0 3 244.335 0.920 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N1CC[C@@H]([C@@H](C)O)C1 ZINC000226478996 385020626 /nfs/dbraw/zinc/02/06/26/385020626.db2.gz YVRSADADDGZDBL-QJPTWQEYSA-N 0 3 242.363 0.850 20 0 BCADHN Cc1cc(CNCCCOCCO)sn1 ZINC000404486137 385020762 /nfs/dbraw/zinc/02/07/62/385020762.db2.gz KWHKJXWYIMQZPX-UHFFFAOYSA-N 0 3 230.333 0.940 20 0 BCADHN CCNC(=O)[C@H](C)NCCCc1cnn(C)c1 ZINC000314357938 384962874 /nfs/dbraw/zinc/96/28/74/384962874.db2.gz NLYBODHAZCVOIT-JTQLQIEISA-N 0 3 238.335 0.467 20 0 BCADHN CCCCNC(=O)[C@H](C)N1CC[C@@H]([C@@H](C)O)C1 ZINC000226478546 385020925 /nfs/dbraw/zinc/02/09/25/385020925.db2.gz KXVDDNAMCINVNM-QJPTWQEYSA-N 0 3 242.363 0.994 20 0 BCADHN 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CC[NH+](CC)CCNC(=O)c1cncc([O-])c1 ZINC000109040615 385131140 /nfs/dbraw/zinc/13/11/40/385131140.db2.gz JIZVKXXSDXWTGZ-UHFFFAOYSA-N 0 3 237.303 0.859 20 0 BCADHN CN(C(=O)c1cncc([O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000109041343 385131994 /nfs/dbraw/zinc/13/19/94/385131994.db2.gz UAKYTGFVCSCOQM-LLVKDONJSA-N 0 3 249.314 0.953 20 0 BCADHN CN(C(=O)c1cncc([O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000109041343 385131998 /nfs/dbraw/zinc/13/19/98/385131998.db2.gz UAKYTGFVCSCOQM-LLVKDONJSA-N 0 3 249.314 0.953 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)Cc1scnc1C ZINC000227384642 385133297 /nfs/dbraw/zinc/13/32/97/385133297.db2.gz IMCPSDKIUQSLLN-QMMMGPOBSA-N 0 3 243.332 0.384 20 0 BCADHN CO[C@H](CN)C(=O)N(CC1CC1)CC1CC1 ZINC000227385297 385134491 /nfs/dbraw/zinc/13/44/91/385134491.db2.gz DZHYPWKZVUQHOT-LLVKDONJSA-N 0 3 226.320 0.609 20 0 BCADHN Cn1ccnc(NCCN2CCCC2)c1=O ZINC000061752289 385137879 /nfs/dbraw/zinc/13/78/79/385137879.db2.gz LJGPLKMAVHGQNZ-UHFFFAOYSA-N 0 3 222.292 0.288 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@@H](N)CC(C)C ZINC000237004773 385138182 /nfs/dbraw/zinc/13/81/82/385138182.db2.gz SISVHECSOWITTH-GARJFASQSA-N 0 3 230.352 0.883 20 0 BCADHN CC(C)C(=O)N[C@@H]1CCCN(C[C@@H](C)O)C1 ZINC000407955084 385138603 /nfs/dbraw/zinc/13/86/03/385138603.db2.gz HHEZUXAAOYQNBS-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C(=O)N[C@H]1CCC[C@H]1C)S(C)(=O)=O ZINC000407955448 385139014 /nfs/dbraw/zinc/13/90/14/385139014.db2.gz ICYSKWRGNPNKDV-VGMNWLOBSA-N 0 3 233.333 0.724 20 0 BCADHN Cc1cc([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]3N)C2)[nH]n1 ZINC000643800010 385086519 /nfs/dbraw/zinc/08/65/19/385086519.db2.gz OZQGKYLZMSJBGW-AXFHLTTASA-N 0 3 248.330 0.771 20 0 BCADHN O[C@@H](CNCCc1cn[nH]c1)C(F)(F)F ZINC000644677662 385089818 /nfs/dbraw/zinc/08/98/18/385089818.db2.gz WAEKCJOSVOXUKU-ZETCQYMHSA-N 0 3 223.198 0.465 20 0 BCADHN CCCN(CCN1CCCC1)c1nnnn1C ZINC000557696583 385090341 /nfs/dbraw/zinc/09/03/41/385090341.db2.gz HIUITMVQDWBDDF-UHFFFAOYSA-N 0 3 238.339 0.522 20 0 BCADHN Cc1cc(CC(=O)N2CCN[C@H](C)[C@@H]2C)no1 ZINC000262742744 385091620 /nfs/dbraw/zinc/09/16/20/385091620.db2.gz FDHOOFDASNOYRG-ZJUUUORDSA-N 0 3 237.303 0.734 20 0 BCADHN C[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)[C@@H]1C ZINC000162777432 385092411 /nfs/dbraw/zinc/09/24/11/385092411.db2.gz MICBFXNDNMEUTP-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN Cn1cc(CNC[C@H]2CC[C@@H](O)C2)cn1 ZINC000188808350 385093894 /nfs/dbraw/zinc/09/38/94/385093894.db2.gz LEYWRASDBSBALV-GXSJLCMTSA-N 0 3 209.293 0.671 20 0 BCADHN C[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)[C@H]1C ZINC000162777603 385096186 /nfs/dbraw/zinc/09/61/86/385096186.db2.gz MICBFXNDNMEUTP-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN CCC[C@H](N)C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000227163794 385099891 /nfs/dbraw/zinc/09/98/91/385099891.db2.gz IUIPWIROMDCTNV-AXFHLTTASA-N 0 3 226.320 0.894 20 0 BCADHN Cc1noc(CCCN2CC[C@](C)(O)C2)n1 ZINC000407949320 385102007 /nfs/dbraw/zinc/10/20/07/385102007.db2.gz QDRBXFZPJORJKG-NSHDSACASA-N 0 3 225.292 0.767 20 0 BCADHN CN(C[C@@H]1CCCOC1)[C@@H]1COC[C@@H]1O ZINC000308784812 385102518 /nfs/dbraw/zinc/10/25/18/385102518.db2.gz FIJGFYUIRRPESM-AXFHLTTASA-N 0 3 215.293 0.105 20 0 BCADHN OC1(CN2CCC[C@@H](n3cncn3)C2)CCC1 ZINC000407950073 385103985 /nfs/dbraw/zinc/10/39/85/385103985.db2.gz ULNKHXGMRQYIRS-LLVKDONJSA-N 0 3 236.319 0.830 20 0 BCADHN O=C1CNC(=O)N1CCCN1C[C@H]2CCC[C@H]21 ZINC000407950065 385104855 /nfs/dbraw/zinc/10/48/55/385104855.db2.gz UGRNPVVGBPTPMO-NXEZZACHSA-N 0 3 237.303 0.413 20 0 BCADHN CO[C@@H]1CN([C@@H]2COC[C@@H]2O)CC[C@@H]1C ZINC000308788788 385105556 /nfs/dbraw/zinc/10/55/56/385105556.db2.gz HNBDFQSXWBYRAP-ZRUFSTJUSA-N 0 3 215.293 0.103 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCO)C(C)C ZINC000157460611 385181560 /nfs/dbraw/zinc/18/15/60/385181560.db2.gz AFBNMZUUWSCXHN-DCAQKATOSA-N 0 3 230.352 0.883 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCc2ccncc21 ZINC000648170304 385183392 /nfs/dbraw/zinc/18/33/92/385183392.db2.gz NZIXQHKDXXHYKU-LLVKDONJSA-N 0 3 231.299 0.969 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000644728404 385188437 /nfs/dbraw/zinc/18/84/37/385188437.db2.gz HSXARTVPSWSOCN-QJPTWQEYSA-N 0 3 239.363 0.537 20 0 BCADHN C[C@H](N)C(=O)N1CCSC(C)(C)C1 ZINC000135076319 385188611 /nfs/dbraw/zinc/18/86/11/385188611.db2.gz JFLKGRICAPLGFY-ZETCQYMHSA-N 0 3 202.323 0.688 20 0 BCADHN N[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 ZINC000062838008 385191173 /nfs/dbraw/zinc/19/11/73/385191173.db2.gz DDVOJGGYHCVNAP-QWRGUYRKSA-N 0 3 247.298 0.081 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cnccn2)CN1C1CC1 ZINC000177177002 385195516 /nfs/dbraw/zinc/19/55/16/385195516.db2.gz WEJYSKFNKHATOW-ZJUUUORDSA-N 0 3 246.314 0.832 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc[nH]c(=O)c1 ZINC000647057626 385197906 /nfs/dbraw/zinc/19/79/06/385197906.db2.gz YXQXPLBBOGFFBA-IUCAKERBSA-N 0 3 239.250 0.217 20 0 BCADHN Cc1ncoc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647057515 385198944 /nfs/dbraw/zinc/19/89/44/385198944.db2.gz TZUWCKVZYRQOIY-YUMQZZPRSA-N 0 3 227.239 0.413 20 0 BCADHN CNC(=O)CCN[C@@H](C)c1cccnc1 ZINC000044317634 385199472 /nfs/dbraw/zinc/19/94/72/385199472.db2.gz JXQHRVOLWPSQDS-VIFPVBQESA-N 0 3 207.277 0.868 20 0 BCADHN CCCN(CCN(C)C)C(=O)C1(OC)CC1 ZINC000648297174 385145738 /nfs/dbraw/zinc/14/57/38/385145738.db2.gz FOWXVXSDIQMNJU-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CN(c1nccn2nnnc12)[C@@H]1CCCN(C)C1 ZINC000530903404 385146839 /nfs/dbraw/zinc/14/68/39/385146839.db2.gz XKAXRPGUONHJGM-SECBINFHSA-N 0 3 247.306 0.050 20 0 BCADHN Cc1nc(CN[C@@H]2CSC[C@H]2C)n[nH]1 ZINC000306652231 385146938 /nfs/dbraw/zinc/14/69/38/385146938.db2.gz CMEASSXVTZNPDH-HTRCEHHLSA-N 0 3 212.322 0.954 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)c1ccnn1C ZINC000152004196 385149613 /nfs/dbraw/zinc/14/96/13/385149613.db2.gz AFESMVNYXRJRPD-UHFFFAOYSA-N 0 3 238.335 0.832 20 0 BCADHN C[C@@H](O)CN1CCN(CCc2ccncc2)CC1 ZINC000189387448 385151178 /nfs/dbraw/zinc/15/11/78/385151178.db2.gz CTAJROBMQGOWCH-CYBMUJFWSA-N 0 3 249.358 0.623 20 0 BCADHN COC(=O)c1cc(CNCC(C)(C)O)c[nH]1 ZINC000165591469 385151638 /nfs/dbraw/zinc/15/16/38/385151638.db2.gz IIBKYPSWBXLYHQ-UHFFFAOYSA-N 0 3 226.276 0.662 20 0 BCADHN CN(CCNc1ncnc2nc[nH]c21)C1CC1 ZINC000062010331 385152040 /nfs/dbraw/zinc/15/20/40/385152040.db2.gz ZHIMIZUVWSGISY-UHFFFAOYSA-N 0 3 232.291 0.859 20 0 BCADHN C[C@@H]1CCCN1C(=O)[C@]1(F)CCNC1 ZINC000157338758 385152201 /nfs/dbraw/zinc/15/22/01/385152201.db2.gz OZGGMDNKNCXHKO-SCZZXKLOSA-N 0 3 200.257 0.699 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000336355662 385153033 /nfs/dbraw/zinc/15/30/33/385153033.db2.gz FQFOQFMLWBCNFY-YPMHNXCESA-N 0 3 240.347 0.966 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CC12CC2 ZINC000424312923 385156855 /nfs/dbraw/zinc/15/68/55/385156855.db2.gz ACOHSUUELLJFSN-RKDXNWHRSA-N 0 3 217.334 0.952 20 0 BCADHN Cc1c[nH]nc1CNC[C@@]1(O)CCO[C@@H]1C ZINC000289674434 385162532 /nfs/dbraw/zinc/16/25/32/385162532.db2.gz ZXRWABSLVRPPAC-KOLCDFICSA-N 0 3 225.292 0.348 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000157404575 385165912 /nfs/dbraw/zinc/16/59/12/385165912.db2.gz ZJHTUDBUBZVFFW-SCZZXKLOSA-N 0 3 224.260 0.527 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)N2CC(CO)C2)CCCN1C ZINC000359291186 385168076 /nfs/dbraw/zinc/16/80/76/385168076.db2.gz SLHDZAAZYXFLQO-KOLCDFICSA-N 0 3 241.335 0.103 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1CC[C@@](C)(O)C1 ZINC000178003832 385169743 /nfs/dbraw/zinc/16/97/43/385169743.db2.gz UJJDEVATDCCCBF-CMPLNLGQSA-N 0 3 228.336 0.700 20 0 BCADHN CCO[C@H]1C[C@H](NC2(C(N)=O)CC2)C12CCC2 ZINC000559783515 385171293 /nfs/dbraw/zinc/17/12/93/385171293.db2.gz XXQBCOUDMWPBSX-UWVGGRQHSA-N 0 3 238.331 0.942 20 0 BCADHN CC(C)(C)NC(=O)CN1CC[C@@H](CC(N)=O)C1 ZINC000367992869 385174901 /nfs/dbraw/zinc/17/49/01/385174901.db2.gz GLGGRRPYBHLWST-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN CCc1nc(C(=O)NCCN(C)C)co1 ZINC000157431601 385177127 /nfs/dbraw/zinc/17/71/27/385177127.db2.gz FFSRXFDQXSEGOH-UHFFFAOYSA-N 0 3 211.265 0.528 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246622575 385206962 /nfs/dbraw/zinc/20/69/62/385206962.db2.gz KAEUANDPLNFNAE-UTINFBMNSA-N 0 3 212.293 0.407 20 0 BCADHN CC(C)N1CCCN([C@@H]2CCCNC2=O)CC1 ZINC000336379319 385208518 /nfs/dbraw/zinc/20/85/18/385208518.db2.gz BXUJSPDJNUTALN-GFCCVEGCSA-N 0 3 239.363 0.681 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCCC[C@@H](CO)C1 ZINC000370908837 385256398 /nfs/dbraw/zinc/25/63/98/385256398.db2.gz IJEKPIQQZISOHZ-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN CCOC[C@H](C)N[C@H](C)C(=O)NC(C)C ZINC000044723970 385217942 /nfs/dbraw/zinc/21/79/42/385217942.db2.gz DPNRMCHMYSVQNW-VHSXEESVSA-N 0 3 216.325 0.914 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@@H]1CCCCNC1=O ZINC000120079387 385219211 /nfs/dbraw/zinc/21/92/11/385219211.db2.gz VXBBXZFQDIILJJ-LPEHRKFASA-N 0 3 212.293 0.422 20 0 BCADHN C[C@H]1OCC[C@H]1NCC(=O)NC(C)(C)C ZINC000120018118 385223616 /nfs/dbraw/zinc/22/36/16/385223616.db2.gz DQGJDKVULFAZMZ-RKDXNWHRSA-N 0 3 214.309 0.668 20 0 BCADHN C[C@@H](CC(N)=O)N[C@H](CO)CC(F)(F)F ZINC000308861310 385228294 /nfs/dbraw/zinc/22/82/94/385228294.db2.gz RMVOKQGTPGDKLW-WDSKDSINSA-N 0 3 228.214 0.153 20 0 BCADHN CCCN(C)CC(=O)NCC(C)(C)CCO ZINC000448262940 385229117 /nfs/dbraw/zinc/22/91/17/385229117.db2.gz GRTPFIOCVXMLBS-UHFFFAOYSA-N 0 3 230.352 0.853 20 0 BCADHN C[C@@H](CN[C@H]1CCCS(=O)(=O)C1)N(C)C ZINC000068940082 385230344 /nfs/dbraw/zinc/23/03/44/385230344.db2.gz NAHUHTJVHGJGCG-UWVGGRQHSA-N 0 3 234.365 0.103 20 0 BCADHN C[C@@H](C(N)=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000108376763 385231850 /nfs/dbraw/zinc/23/18/50/385231850.db2.gz PMQPGLFLFLYJQA-RYUDHWBXSA-N 0 3 239.363 0.811 20 0 BCADHN C[C@H]1CC[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000565842484 385232382 /nfs/dbraw/zinc/23/23/82/385232382.db2.gz FHCIMNATGQSWHV-BJDJZHNGSA-N 0 3 240.347 0.556 20 0 BCADHN OCCN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000408426343 385234601 /nfs/dbraw/zinc/23/46/01/385234601.db2.gz SJWMVUOGFKSVLJ-JTQLQIEISA-N 0 3 236.319 0.785 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)c1ccco1 ZINC000153070469 385234810 /nfs/dbraw/zinc/23/48/10/385234810.db2.gz UXPAHYLJLMYPBP-NSHDSACASA-N 0 3 226.276 0.322 20 0 BCADHN CC(C)[NH+]1CCC(NC(=O)c2cnn[n-]2)CC1 ZINC000108286639 385236603 /nfs/dbraw/zinc/23/66/03/385236603.db2.gz XFPMPRHZYMCTDQ-UHFFFAOYSA-N 0 3 237.307 0.407 20 0 BCADHN CCN1CCC[C@@H](NC(=O)NCC(C)(C)O)C1 ZINC000108562017 385240578 /nfs/dbraw/zinc/24/05/78/385240578.db2.gz WFNKIXFNHFNGMT-SNVBAGLBSA-N 0 3 243.351 0.541 20 0 BCADHN Cn1cc([C@H](CO)NCCCCF)cn1 ZINC000308875629 385242682 /nfs/dbraw/zinc/24/26/82/385242682.db2.gz NEZFIYCWIBSJTB-JTQLQIEISA-N 0 3 215.272 0.793 20 0 BCADHN CO[C@H]1CCCC[C@@H]1NCC(=O)NC1CC1 ZINC000037262970 385247660 /nfs/dbraw/zinc/24/76/60/385247660.db2.gz JWWYTFBJNBFXQP-QWRGUYRKSA-N 0 3 226.320 0.812 20 0 BCADHN CC1CCN(C[C@@H](O)CNC(=O)N(C)C)CC1 ZINC000109137244 385250522 /nfs/dbraw/zinc/25/05/22/385250522.db2.gz SRMWETYHZIJJMP-NSHDSACASA-N 0 3 243.351 0.350 20 0 BCADHN C[C@@H](CO)CNC(=O)C1CCN(C)CC1 ZINC000448270138 385251832 /nfs/dbraw/zinc/25/18/32/385251832.db2.gz MMUWMUQFOFJHCR-SECBINFHSA-N 0 3 214.309 0.073 20 0 BCADHN CC(=O)c1ccc(C(=O)N(C)CCN)s1 ZINC000647088903 385253317 /nfs/dbraw/zinc/25/33/17/385253317.db2.gz ZHQDJMFXLBEENQ-UHFFFAOYSA-N 0 3 226.301 0.981 20 0 BCADHN CO[C@H](C)CNC(=O)C12CCCN1CCC2 ZINC000368235506 385253763 /nfs/dbraw/zinc/25/37/63/385253763.db2.gz IYSLZDFXFDSKGG-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN O=C(Nc1nnc2ccccn21)[C@H]1CCCCN1 ZINC000262657718 385254053 /nfs/dbraw/zinc/25/40/53/385254053.db2.gz MADWINUWSFBZAW-SECBINFHSA-N 0 3 245.286 0.810 20 0 BCADHN CC(C)N(CC(=O)N1CCNC1=O)C1CCC1 ZINC000119772003 385204645 /nfs/dbraw/zinc/20/46/45/385204645.db2.gz IFBSGCRIFNQCCI-UHFFFAOYSA-N 0 3 239.319 0.801 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](N)CCSC)C(=O)OC ZINC000152706169 385205312 /nfs/dbraw/zinc/20/53/12/385205312.db2.gz KRWJNHSOSFPPQT-JGVFFNPUSA-N 0 3 248.348 0.135 20 0 BCADHN O=S(=O)(NC1CC1)[C@H]1CCN(CC2CC2)C1 ZINC000120210810 385304456 /nfs/dbraw/zinc/30/44/56/385304456.db2.gz RZYTUBAGNMLJSE-NSHDSACASA-N 0 3 244.360 0.553 20 0 BCADHN C[NH+](C)C/C=C\C(=O)[N-]OCc1cccnc1 ZINC000492205144 385307605 /nfs/dbraw/zinc/30/76/05/385307605.db2.gz SPZQFSRJWBYKOH-XQRVVYSFSA-N 0 3 235.287 0.747 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@@](C)(O)C1CC1 ZINC000308962006 385314579 /nfs/dbraw/zinc/31/45/79/385314579.db2.gz GQHXCJVTJCNKGB-PSASIEDQSA-N 0 3 235.349 0.170 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272569618 385317501 /nfs/dbraw/zinc/31/75/01/385317501.db2.gz VCDUBOKBULMMGY-CMPLNLGQSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272569625 385317715 /nfs/dbraw/zinc/31/77/15/385317715.db2.gz VCDUBOKBULMMGY-PWSUYJOCSA-N 0 3 248.330 0.884 20 0 BCADHN CCN(CCCn1ccnc1)CC(N)=O ZINC000191725882 385319495 /nfs/dbraw/zinc/31/94/95/385319495.db2.gz NGFVXLIFZKCBDF-UHFFFAOYSA-N 0 3 210.281 0.080 20 0 BCADHN CC[C@@H](C)N(C)CC(=O)NCC(=O)OC ZINC000178735774 385321576 /nfs/dbraw/zinc/32/15/76/385321576.db2.gz WPVCZTANTZFRQO-MRVPVSSYSA-N 0 3 216.281 0.006 20 0 BCADHN CCCN1CCCN(Cc2ncnn2C)CC1 ZINC000157993079 385322205 /nfs/dbraw/zinc/32/22/05/385322205.db2.gz JMYXHWFSGKTAPM-UHFFFAOYSA-N 0 3 237.351 0.733 20 0 BCADHN C[C@@H](O)CN(CCc1ccccn1)[C@@H](C)CO ZINC000190827971 385262285 /nfs/dbraw/zinc/26/22/85/385262285.db2.gz MPFXWAIQXPJATA-NWDGAFQWSA-N 0 3 238.331 0.688 20 0 BCADHN CCOc1cc(C)ccc1CNC(=O)CN ZINC000237039316 385263749 /nfs/dbraw/zinc/26/37/49/385263749.db2.gz HGCPKVSEAKIALR-UHFFFAOYSA-N 0 3 222.288 0.969 20 0 BCADHN CCC(CC)[C@H](O)CNC(=O)[C@@]1(F)CCNC1 ZINC000157739850 385272305 /nfs/dbraw/zinc/27/23/05/385272305.db2.gz GDZZZAFNLWQIGW-ZYHUDNBSSA-N 0 3 246.326 0.601 20 0 BCADHN O=C(N[C@H]1CC12CC2)[C@H]1CN2CCN1CCC2 ZINC000424981121 385273113 /nfs/dbraw/zinc/27/31/13/385273113.db2.gz ZBLGJNGXQANJOG-MNOVXSKESA-N 0 3 235.331 0.045 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000164696765 385274363 /nfs/dbraw/zinc/27/43/63/385274363.db2.gz VFOMVTKWZQMYBJ-SECBINFHSA-N 0 3 245.286 0.231 20 0 BCADHN CN1C[C@H]2CCN(Cc3ccnn3C)[C@H]2C1 ZINC000644732190 385275458 /nfs/dbraw/zinc/27/54/58/385275458.db2.gz TUMUTGIWILHGSD-PWSUYJOCSA-N 0 3 220.320 0.556 20 0 BCADHN C[C@@H](NC(=O)C1(N)CCC1)C1CCOCC1 ZINC000235168423 385277806 /nfs/dbraw/zinc/27/78/06/385277806.db2.gz SBDVHQXQKHKJRC-SECBINFHSA-N 0 3 226.320 0.799 20 0 BCADHN COC[C@@H](C)NCc1n[nH]c(C2CC2)n1 ZINC000308915261 385281216 /nfs/dbraw/zinc/28/12/16/385281216.db2.gz FSRNJLMXANTUCT-SSDOTTSWSA-N 0 3 210.281 0.807 20 0 BCADHN CC(C)[C@](C)(CO)NCc1cncnc1 ZINC000308915293 385281461 /nfs/dbraw/zinc/28/14/61/385281461.db2.gz BBUIVNIVVYLVGB-NSHDSACASA-N 0 3 209.293 0.973 20 0 BCADHN Cc1ccc([O-])c(CN(C)C[C@H](C)O)n1 ZINC000130756604 385283108 /nfs/dbraw/zinc/28/31/08/385283108.db2.gz UNXGUEMXIPTLDL-VIFPVBQESA-N 0 3 210.277 0.908 20 0 BCADHN Cc1ccc(O)c(CN(C)C[C@H](C)O)n1 ZINC000130756604 385283115 /nfs/dbraw/zinc/28/31/15/385283115.db2.gz UNXGUEMXIPTLDL-VIFPVBQESA-N 0 3 210.277 0.908 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+](C)C[C@H](C)O)n1 ZINC000130756604 385283122 /nfs/dbraw/zinc/28/31/22/385283122.db2.gz UNXGUEMXIPTLDL-VIFPVBQESA-N 0 3 210.277 0.908 20 0 BCADHN Cc1ccc([O-])c(C[N@H+](C)C[C@H](C)O)n1 ZINC000130756604 385283126 /nfs/dbraw/zinc/28/31/26/385283126.db2.gz UNXGUEMXIPTLDL-VIFPVBQESA-N 0 3 210.277 0.908 20 0 BCADHN Cn1nncc1CN[C@@H](CO)C(C)(C)C ZINC000308908310 385284906 /nfs/dbraw/zinc/28/49/06/385284906.db2.gz QRKCTASPWUGZIS-VIFPVBQESA-N 0 3 212.297 0.312 20 0 BCADHN CC(C(=O)N[C@@H]1CC12CC2)S(C)(=O)=O ZINC000424995360 385285313 /nfs/dbraw/zinc/28/53/13/385285313.db2.gz ZCDCCVFAAYXJKG-RNFRBKRXSA-N 0 3 217.290 0.088 20 0 BCADHN Cc1nnc(CN2CC[C@@H]3CN(C)C[C@@H]32)n1C ZINC000644732323 385286488 /nfs/dbraw/zinc/28/64/88/385286488.db2.gz GIBUXWGUAFVKJO-MNOVXSKESA-N 0 3 235.335 0.259 20 0 BCADHN Cc1nnc(CN2CC[C@@H]3CN(C)C[C@H]32)n1C ZINC000644732321 385287569 /nfs/dbraw/zinc/28/75/69/385287569.db2.gz GIBUXWGUAFVKJO-GHMZBOCLSA-N 0 3 235.335 0.259 20 0 BCADHN CN(C[C@H]1CCOC1)C(=O)[C@]1(F)CCNC1 ZINC000364240883 385287842 /nfs/dbraw/zinc/28/78/42/385287842.db2.gz YTVYDZNVTCNTPU-KOLCDFICSA-N 0 3 230.283 0.183 20 0 BCADHN CSCCN(C)C[C@H](O)Cn1cccn1 ZINC000178503618 385292192 /nfs/dbraw/zinc/29/21/92/385292192.db2.gz IDSWQLBUHVRLQX-JTQLQIEISA-N 0 3 229.349 0.539 20 0 BCADHN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1ccccn1 ZINC000647311858 385293672 /nfs/dbraw/zinc/29/36/72/385293672.db2.gz QGZCSROPTZNZJL-VIFPVBQESA-N 0 3 243.332 0.487 20 0 BCADHN COC(=O)c1ccc(CN[C@H](C)[C@H](C)CO)[nH]1 ZINC000167067527 385296236 /nfs/dbraw/zinc/29/62/36/385296236.db2.gz KFOYCMMRSPOCFT-RKDXNWHRSA-N 0 3 240.303 0.908 20 0 BCADHN CC(C)CCNC(=O)[C@@]1(F)CCNC1 ZINC000308940377 385296199 /nfs/dbraw/zinc/29/61/99/385296199.db2.gz PXYFVZWMRKIPRU-SNVBAGLBSA-N 0 3 202.273 0.850 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)[C@@H](O)Cc1ccccc1 ZINC000157886796 385296634 /nfs/dbraw/zinc/29/66/34/385296634.db2.gz MZDLMUIAHJHEFX-FOGDFJRCSA-N 0 3 236.315 0.442 20 0 BCADHN CCn1nncc1C(=O)NC1CCN(C)CC1 ZINC000407986405 385298671 /nfs/dbraw/zinc/29/86/71/385298671.db2.gz UBKONNYOFWOBNA-UHFFFAOYSA-N 0 3 237.307 0.122 20 0 BCADHN Cc1nn(C)cc1CNC[C@]1(O)CCO[C@H]1C ZINC000227969892 385299465 /nfs/dbraw/zinc/29/94/65/385299465.db2.gz ZEEIISQHVNDPIE-CMPLNLGQSA-N 0 3 239.319 0.358 20 0 BCADHN C[C@H](NCC1([S@@](C)=O)CC1)c1cn[nH]c1 ZINC000308978485 385330496 /nfs/dbraw/zinc/33/04/96/385330496.db2.gz HGRWOEUQGVOQJV-VXJOIVPMSA-N 0 3 227.333 0.971 20 0 BCADHN COCCC1(C(=O)NC[C@@H](C)N(C)C)CC1 ZINC000448289707 385330758 /nfs/dbraw/zinc/33/07/58/385330758.db2.gz MZODAOGAMRUHHS-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CN(C)C[C@@H]1CN(Cc2cocn2)CCO1 ZINC000191919231 385331236 /nfs/dbraw/zinc/33/12/36/385331236.db2.gz XNZHVTHNFDXNDJ-LLVKDONJSA-N 0 3 225.292 0.437 20 0 BCADHN C[C@H](N[C@@H]1CCSC1)c1ccc(=O)[nH]n1 ZINC000308999001 385331715 /nfs/dbraw/zinc/33/17/15/385331715.db2.gz NKBVLGQLYZHUOU-JGVFFNPUSA-N 0 3 225.317 0.926 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H](C)[C@H](C)CO ZINC000497725866 385332825 /nfs/dbraw/zinc/33/28/25/385332825.db2.gz PQGSUXPMDNJNFG-UTLUCORTSA-N 0 3 231.340 0.253 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@H](C(N)=O)C1 ZINC000408059966 385388837 /nfs/dbraw/zinc/38/88/37/385388837.db2.gz DOCSCXJQUISXTD-VIFPVBQESA-N 0 3 222.292 0.036 20 0 BCADHN CC[C@@H](NC[C@@H](O)COC)c1cnn(C)c1 ZINC000167866889 385337771 /nfs/dbraw/zinc/33/77/71/385337771.db2.gz ASXNJXRXCZVIDV-GHMZBOCLSA-N 0 3 227.308 0.468 20 0 BCADHN C[C@@H](N[C@@H]1CCCSC1)C(=O)NCCF ZINC000308995777 385338499 /nfs/dbraw/zinc/33/84/99/385338499.db2.gz MMADXOQJFGEGSV-RKDXNWHRSA-N 0 3 234.340 0.946 20 0 BCADHN C[C@H](N[C@H]1CCCSC1)C(=O)NCCF ZINC000308995776 385338565 /nfs/dbraw/zinc/33/85/65/385338565.db2.gz MMADXOQJFGEGSV-IUCAKERBSA-N 0 3 234.340 0.946 20 0 BCADHN C[C@H](C[C@@H]1CCOC1)NC(=O)[C@@H]1NCC1(C)C ZINC000643979118 385342013 /nfs/dbraw/zinc/34/20/13/385342013.db2.gz GFSXSLKBNJVPHG-VWYCJHECSA-N 0 3 240.347 0.916 20 0 BCADHN CCC[C@](C)(N)C(=O)NCC[C@@H](O)CC ZINC000158092593 385342398 /nfs/dbraw/zinc/34/23/98/385342398.db2.gz XAISGNCTRJGOHO-ONGXEEELSA-N 0 3 216.325 0.781 20 0 BCADHN Cc1cn[nH]c1CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368667440 385389152 /nfs/dbraw/zinc/38/91/52/385389152.db2.gz RPMYIPZXRJOXIX-UMNHJUIQSA-N 0 3 248.330 0.804 20 0 BCADHN Cc1noc(C)c1CN1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000377726065 385344642 /nfs/dbraw/zinc/34/46/42/385344642.db2.gz ONIBNPQOXGIFID-QWRGUYRKSA-N 0 3 249.314 0.859 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC(C)(OC)CC1 ZINC000336701477 385346179 /nfs/dbraw/zinc/34/61/79/385346179.db2.gz PYCDMKNJSUJPPV-VIFPVBQESA-N 0 3 214.309 0.751 20 0 BCADHN COc1ccc(CN[C@H]2CCC(=O)N(C)C2)cn1 ZINC000158114489 385346881 /nfs/dbraw/zinc/34/68/81/385346881.db2.gz QLHRNSNWCKIYQM-NSHDSACASA-N 0 3 249.314 0.801 20 0 BCADHN c1nc(CNCCCCN2CCOCC2)co1 ZINC000192287090 385349209 /nfs/dbraw/zinc/34/92/09/385349209.db2.gz ZCWGDEMWHBLNIU-UHFFFAOYSA-N 0 3 239.319 0.877 20 0 BCADHN Cc1nc(CN2CC[C@@H]3CN(C)C[C@H]32)no1 ZINC000644733452 385349401 /nfs/dbraw/zinc/34/94/01/385349401.db2.gz JCBGZPLRTNGPGX-NXEZZACHSA-N 0 3 222.292 0.514 20 0 BCADHN CN(C)C1CN(c2ncnc3nc[nH]c32)C1 ZINC000273187401 385349633 /nfs/dbraw/zinc/34/96/33/385349633.db2.gz CASSNZNTCKKNNK-UHFFFAOYSA-N 0 3 218.264 0.103 20 0 BCADHN CN(C)C1CN(c2ncnc3[nH]cnc32)C1 ZINC000273187401 385349635 /nfs/dbraw/zinc/34/96/35/385349635.db2.gz CASSNZNTCKKNNK-UHFFFAOYSA-N 0 3 218.264 0.103 20 0 BCADHN CC(=O)N1CCCC[C@H]1C(=O)NCCN(C)C ZINC000408059399 385389602 /nfs/dbraw/zinc/38/96/02/385389602.db2.gz CFCDYAOENMEWBC-NSHDSACASA-N 0 3 241.335 0.065 20 0 BCADHN COc1ccc(CNCCc2ncn(C)n2)cn1 ZINC000158128553 385352231 /nfs/dbraw/zinc/35/22/31/385352231.db2.gz VPAKBWKVOXNFTI-UHFFFAOYSA-N 0 3 247.302 0.551 20 0 BCADHN Cc1c(CN2CC[C@@H]3CN(C)C[C@H]32)cnn1C ZINC000644733711 385353184 /nfs/dbraw/zinc/35/31/84/385353184.db2.gz LSTPCIRWICBHPF-DGCLKSJQSA-N 0 3 234.347 0.864 20 0 BCADHN Cc1nnc(CN2CC[C@@H]3CN(C)C[C@@H]32)[nH]1 ZINC000644734051 385353562 /nfs/dbraw/zinc/35/35/62/385353562.db2.gz QNNSIAVFQBCCFW-ZJUUUORDSA-N 0 3 221.308 0.249 20 0 BCADHN CCCNC(=O)CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644734691 385356687 /nfs/dbraw/zinc/35/66/87/385356687.db2.gz SVSNPGBZUVMXRO-WDEREUQCSA-N 0 3 225.336 0.149 20 0 BCADHN C[C@H](CO)N(C)CCOCC(F)(F)F ZINC000120517334 385359782 /nfs/dbraw/zinc/35/97/82/385359782.db2.gz HHAXXLTWRLUMJX-SSDOTTSWSA-N 0 3 215.215 0.878 20 0 BCADHN CCn1nncc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000408002227 385360252 /nfs/dbraw/zinc/36/02/52/385360252.db2.gz CXXVMLXNVFAMLN-SECBINFHSA-N 0 3 237.307 0.074 20 0 BCADHN COCC[C@](C)(O)CN[C@@H](C)c1cnn(C)c1 ZINC000178374823 385361409 /nfs/dbraw/zinc/36/14/09/385361409.db2.gz QOUPDWDZAMIINJ-JQWIXIFHSA-N 0 3 241.335 0.858 20 0 BCADHN CN(C(=O)[C@H]1CNCCC1(F)F)[C@@H]1CCOC1 ZINC000643993181 385361636 /nfs/dbraw/zinc/36/16/36/385361636.db2.gz WNUMNZLUFRIGTQ-RKDXNWHRSA-N 0 3 248.273 0.479 20 0 BCADHN CN(C(=O)[C@@H]1CNCCC1(F)F)[C@H]1CCOC1 ZINC000643993180 385363038 /nfs/dbraw/zinc/36/30/38/385363038.db2.gz WNUMNZLUFRIGTQ-IUCAKERBSA-N 0 3 248.273 0.479 20 0 BCADHN C[C@@](O)(CNCc1cncnc1)C1CC1 ZINC000309001685 385363543 /nfs/dbraw/zinc/36/35/43/385363543.db2.gz RXCKCSRWHKOCRZ-LLVKDONJSA-N 0 3 207.277 0.727 20 0 BCADHN Cc1cnn([C@H]2CCCN(C(=O)[C@@H](C)N)C2)c1 ZINC000168358999 385365108 /nfs/dbraw/zinc/36/51/08/385365108.db2.gz DCNKXSJFORBJBC-MNOVXSKESA-N 0 3 236.319 0.702 20 0 BCADHN CCN(CCNC(=O)N[C@@H]1CCOC1)C1CC1 ZINC000179180168 385366339 /nfs/dbraw/zinc/36/63/39/385366339.db2.gz SWCAVFVLYOCNCC-SNVBAGLBSA-N 0 3 241.335 0.559 20 0 BCADHN CN(CC1CC1)C(=O)CNC1(CO)CCCC1 ZINC000179065710 385367053 /nfs/dbraw/zinc/36/70/53/385367053.db2.gz XKFVUZLIOBHVDS-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN COC[C@@H](O)CNCc1ccnn1C(C)C ZINC000280775798 385369218 /nfs/dbraw/zinc/36/92/18/385369218.db2.gz FKNMWQXTSYYXIP-NSHDSACASA-N 0 3 227.308 0.561 20 0 BCADHN C[C@@H](CO)N(C)CCN1CCOC[C@H]1C ZINC000192769541 385370843 /nfs/dbraw/zinc/37/08/43/385370843.db2.gz DFXCLZLCWBKBMX-WDEREUQCSA-N 0 3 216.325 0.020 20 0 BCADHN Cc1cnn(C)c1CN[C@H](C)C[S@@](C)=O ZINC000309016605 385371191 /nfs/dbraw/zinc/37/11/91/385371191.db2.gz USQPJGAGLCLMOR-RFAUZJTJSA-N 0 3 229.349 0.585 20 0 BCADHN C[C@@]1(O)CCN(C[C@H](O)CC(F)(F)F)C1 ZINC000307984240 385372945 /nfs/dbraw/zinc/37/29/45/385372945.db2.gz RITXQJKHHJCNLA-HTQZYQBOSA-N 0 3 227.226 0.756 20 0 BCADHN COCC[C@](C)(O)CN[C@@H](C)c1ccnn1C ZINC000192871508 385374850 /nfs/dbraw/zinc/37/48/50/385374850.db2.gz QPBHADGTQULBHB-JQWIXIFHSA-N 0 3 241.335 0.858 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCCOC1 ZINC000161604664 385376898 /nfs/dbraw/zinc/37/68/98/385376898.db2.gz HWQUARMQJZFOSI-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN CCn1nccc1NC(=O)[C@H]1NCC1(C)C ZINC000644011755 385376967 /nfs/dbraw/zinc/37/69/67/385376967.db2.gz DKOIEYNRGCWRGO-SECBINFHSA-N 0 3 222.292 0.840 20 0 BCADHN COCCC[C@@H](C)NCc1cnnn1C ZINC000309040500 385376984 /nfs/dbraw/zinc/37/69/84/385376984.db2.gz KZGGPGGWUYZIBF-SECBINFHSA-N 0 3 212.297 0.720 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NC1CCSCC1 ZINC000309040808 385377825 /nfs/dbraw/zinc/37/78/25/385377825.db2.gz JULIBFRDZGZTII-ZETCQYMHSA-N 0 3 238.303 0.981 20 0 BCADHN CN(C)S(=O)(=O)CCN[C@@H]1CCC1(C)C ZINC000309031568 385379634 /nfs/dbraw/zinc/37/96/34/385379634.db2.gz BYFZALGGLHRCKL-SECBINFHSA-N 0 3 234.365 0.656 20 0 BCADHN COc1ccc(CN(C)C(=O)[C@@H](C)N)cc1O ZINC000155229107 385382523 /nfs/dbraw/zinc/38/25/23/385382523.db2.gz XPBQIOCHOOEILK-MRVPVSSYSA-N 0 3 238.287 0.706 20 0 BCADHN CCOC[C@H](C)N[C@H](CO)[C@@H]1CCCO1 ZINC000309051028 385383814 /nfs/dbraw/zinc/38/38/14/385383814.db2.gz RCLPFPZBASXVFU-AXFHLTTASA-N 0 3 217.309 0.541 20 0 BCADHN CN1CCC(NC(=O)N2CCC[C@H](O)C2)CC1 ZINC000193140489 385385703 /nfs/dbraw/zinc/38/57/03/385385703.db2.gz OXRVSLBGFJLBDG-NSHDSACASA-N 0 3 241.335 0.247 20 0 BCADHN COc1cc(CNC(=O)[C@H](C)N)ccc1C ZINC000155309396 385386341 /nfs/dbraw/zinc/38/63/41/385386341.db2.gz ZAQHXHVQHCAVCU-VIFPVBQESA-N 0 3 222.288 0.967 20 0 BCADHN C[C@@H](O)c1ccc(CNC(=O)[C@H](C)N)cc1 ZINC000178038177 385325589 /nfs/dbraw/zinc/32/55/89/385325589.db2.gz MPRYVBDYBXBUGG-DTWKUNHWSA-N 0 3 222.288 0.703 20 0 BCADHN CCOC[C@H](O)CN[C@H](CC)c1cnn(C)c1 ZINC000361891186 385327022 /nfs/dbraw/zinc/32/70/22/385327022.db2.gz VLAVKFQLQOIARB-VXGBXAGGSA-N 0 3 241.335 0.858 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@H](C)[C@H]2C)no1 ZINC000262753185 385327824 /nfs/dbraw/zinc/32/78/24/385327824.db2.gz HAZPCXNHLWYMIO-RKDXNWHRSA-N 0 3 223.276 0.805 20 0 BCADHN CCOC[C@@H](C)NCC1(S(C)(=O)=O)CC1 ZINC000308972135 385328230 /nfs/dbraw/zinc/32/82/30/385328230.db2.gz AFKIMFXUAOBXNA-SECBINFHSA-N 0 3 235.349 0.578 20 0 BCADHN CCC(=O)N[C@H](C)C(=O)N1CCNCC1(C)C ZINC000644075742 385424523 /nfs/dbraw/zinc/42/45/23/385424523.db2.gz JINWUNWPIVGMNG-SECBINFHSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@H](N[C@@H]1COC[C@H]1O)[C@H]1CCCO1 ZINC000309067770 385391999 /nfs/dbraw/zinc/39/19/99/385391999.db2.gz AHNRKBDOTJRJPC-LNFKQOIKSA-N 0 3 215.293 0.293 20 0 BCADHN C[C@H](NC(=O)[C@H]1NCC1(C)C)C1CCOCC1 ZINC000644035549 385391970 /nfs/dbraw/zinc/39/19/70/385391970.db2.gz RPDFQZHUGXJQHW-GXSJLCMTSA-N 0 3 240.347 0.916 20 0 BCADHN CC[C@@H](COC)NCC(=O)NCC(F)F ZINC000309065777 385392986 /nfs/dbraw/zinc/39/29/86/385392986.db2.gz ZGYMTESRYHICOI-ZETCQYMHSA-N 0 3 224.251 0.382 20 0 BCADHN O=C1CCN(C[C@H](O)Cc2ccccc2)CCN1 ZINC000193355646 385395037 /nfs/dbraw/zinc/39/50/37/385395037.db2.gz MLRYPNHGZCTUSU-CYBMUJFWSA-N 0 3 248.326 0.412 20 0 BCADHN Cc1noc([C@H](C)NC(=O)[C@H]2NCC2(C)C)n1 ZINC000644043823 385397396 /nfs/dbraw/zinc/39/73/96/385397396.db2.gz SOXHKPUSPKPBLM-POYBYMJQSA-N 0 3 238.291 0.553 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1cnn(C)c1C ZINC000180567896 385398375 /nfs/dbraw/zinc/39/83/75/385398375.db2.gz DMEJTECCXVFCRH-WPRPVWTQSA-N 0 3 227.308 0.386 20 0 BCADHN COC[C@H](O)CN[C@@H](C)c1cnn(C)c1C ZINC000180567931 385398403 /nfs/dbraw/zinc/39/84/03/385398403.db2.gz DMEJTECCXVFCRH-WCBMZHEXSA-N 0 3 227.308 0.386 20 0 BCADHN O=C(NCC(F)(F)F)[C@H]1CNCCC1(F)F ZINC000644052234 385398726 /nfs/dbraw/zinc/39/87/26/385398726.db2.gz VJJYEVRRINNWHP-RXMQYKEDSA-N 0 3 246.179 0.910 20 0 BCADHN CCc1cc(CNC(=O)[C@H]2NCC2(C)C)on1 ZINC000644051905 385399264 /nfs/dbraw/zinc/39/92/64/385399264.db2.gz IZEPPSVUXSDJMY-SNVBAGLBSA-N 0 3 237.303 0.851 20 0 BCADHN Cn1ccc(CNC(=O)[C@]2(F)CCNC2)c1 ZINC000169043707 385403283 /nfs/dbraw/zinc/40/32/83/385403283.db2.gz CGHNOTYGAHMEOH-NSHDSACASA-N 0 3 225.267 0.343 20 0 BCADHN COC[C@H](NC(=O)[C@H]1NCC1(C)C)C(C)C ZINC000644053549 385404647 /nfs/dbraw/zinc/40/46/47/385404647.db2.gz HKLKDRQTAOEKQD-VHSXEESVSA-N 0 3 228.336 0.772 20 0 BCADHN CCOC(=O)CCCN[C@H]1C(=O)NCC[C@@H]1C ZINC000193608895 385404664 /nfs/dbraw/zinc/40/46/64/385404664.db2.gz IVIXLUDUIOBRPV-GXSJLCMTSA-N 0 3 242.319 0.444 20 0 BCADHN Cc1cc(CNC(=O)[C@@H]2NCC2(C)C)on1 ZINC000644053873 385404773 /nfs/dbraw/zinc/40/47/73/385404773.db2.gz ZINDLHPFYVVSLK-VIFPVBQESA-N 0 3 223.276 0.597 20 0 BCADHN CO[C@@H](CNC(=O)[C@@H]1NCC1(C)C)C(C)C ZINC000644054669 385406527 /nfs/dbraw/zinc/40/65/27/385406527.db2.gz LWKKMWFLHMCYTN-UWVGGRQHSA-N 0 3 228.336 0.772 20 0 BCADHN CN(C)CC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000364398530 385414832 /nfs/dbraw/zinc/41/48/32/385414832.db2.gz DMYUJBZXJRRLTE-VIFPVBQESA-N 0 3 237.307 0.420 20 0 BCADHN C[C@H](N)C(=O)NCc1ccn2ccnc2c1 ZINC000178801016 385419528 /nfs/dbraw/zinc/41/95/28/385419528.db2.gz ZCGVHMBAAXXWTP-QMMMGPOBSA-N 0 3 218.260 0.298 20 0 BCADHN CCN(C)C(=O)CN1C[C@H](C(N)=O)CC[C@H]1C ZINC000408060988 385419674 /nfs/dbraw/zinc/41/96/74/385419674.db2.gz KJHZMJXTXQGESG-NXEZZACHSA-N 0 3 241.335 0.051 20 0 BCADHN CC1(C)CNCCN1C(=O)COCC1CC1 ZINC000644074307 385419942 /nfs/dbraw/zinc/41/99/42/385419942.db2.gz JDXYWPFJXIIZBU-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)[C@H](C)N(C)C(=O)C(C)S(C)(=O)=O ZINC000408021808 385420665 /nfs/dbraw/zinc/42/06/65/385420665.db2.gz OSYAVNHPWDWKLM-IUCAKERBSA-N 0 3 235.349 0.922 20 0 BCADHN NCc1nc(COc2ccccc2CN)no1 ZINC000647689544 385421392 /nfs/dbraw/zinc/42/13/92/385421392.db2.gz WEKIAQKVIRYYKP-UHFFFAOYSA-N 0 3 234.259 0.566 20 0 BCADHN C[C@H](NCCN1CCC1)c1cnccn1 ZINC000309116161 385423476 /nfs/dbraw/zinc/42/34/76/385423476.db2.gz LOMCRQVNPRTIPT-JTQLQIEISA-N 0 3 206.293 0.833 20 0 BCADHN CCc1cc(N2C[C@H](O)[C@@H](N(C)C)C2)ncn1 ZINC000643159706 385438659 /nfs/dbraw/zinc/43/86/59/385438659.db2.gz DVJJZTAXHKMTFZ-QWRGUYRKSA-N 0 3 236.319 0.150 20 0 BCADHN CS(=O)(=O)NCCNCc1cccs1 ZINC000020203011 385440230 /nfs/dbraw/zinc/44/02/30/385440230.db2.gz AGVYRYDONCSQHV-UHFFFAOYSA-N 0 3 234.346 0.387 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000156186850 385441979 /nfs/dbraw/zinc/44/19/79/385441979.db2.gz RCPYMJNMGBSCEB-RKDXNWHRSA-N 0 3 240.328 0.995 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC000170782595 385445214 /nfs/dbraw/zinc/44/52/14/385445214.db2.gz RMSGQYAICDJFJR-JTQLQIEISA-N 0 3 236.319 0.586 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@H]1C[C@@H]1C(F)F ZINC000492882913 385458100 /nfs/dbraw/zinc/45/81/00/385458100.db2.gz AAHSLLNPNUOSQV-HENSLRDNSA-N 0 3 218.247 0.874 20 0 BCADHN C[C@@H](CO)N(C)C(=O)C1CCN(C2CC2)CC1 ZINC000194804518 385449336 /nfs/dbraw/zinc/44/93/36/385449336.db2.gz QSJIGXSHTOTORK-JTQLQIEISA-N 0 3 240.347 0.700 20 0 BCADHN c1ncn(C[C@@H]2CCCN(Cc3cnc[nH]3)C2)n1 ZINC000179224890 385452224 /nfs/dbraw/zinc/45/22/24/385452224.db2.gz OVFYJLFJYPPMHF-LLVKDONJSA-N 0 3 246.318 0.913 20 0 BCADHN Cn1ccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000156439641 385453573 /nfs/dbraw/zinc/45/35/73/385453573.db2.gz PGLPDWUESPWAER-LLVKDONJSA-N 0 3 221.304 0.722 20 0 BCADHN C[C@@H](O)CN1CCCN(c2cccnn2)CC1 ZINC000194951950 385453793 /nfs/dbraw/zinc/45/37/93/385453793.db2.gz COENDHKFZJUSBE-LLVKDONJSA-N 0 3 236.319 0.370 20 0 BCADHN CC/C=C/CNCc1cn(C)c(=O)n(C)c1=O ZINC000295084987 385429076 /nfs/dbraw/zinc/42/90/76/385429076.db2.gz QVZXGENKXAKCBL-AATRIKPKSA-N 0 3 237.303 0.140 20 0 BCADHN CCOC[C@@H](O)CNCc1ccn(C)c1 ZINC000309127229 385429233 /nfs/dbraw/zinc/42/92/33/385429233.db2.gz WTIQBRNCZCVNIK-NSHDSACASA-N 0 3 212.293 0.512 20 0 BCADHN CO[C@H](C)CN(C)CCN1CCOCC1 ZINC000182125843 385429872 /nfs/dbraw/zinc/42/98/72/385429872.db2.gz BKJQYJBOBMHUBF-LLVKDONJSA-N 0 3 216.325 0.285 20 0 BCADHN C=Cn1cc(CNCCn2ccnc2)cn1 ZINC000194351031 385431015 /nfs/dbraw/zinc/43/10/15/385431015.db2.gz KNRCHRNWLQUFQO-UHFFFAOYSA-N 0 3 217.276 0.970 20 0 BCADHN CC[C@@H](CO)N1CCN(C[C@H](C)OC)CC1 ZINC000182196841 385433103 /nfs/dbraw/zinc/43/31/03/385433103.db2.gz INSXSSRNORNWBL-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN CCCCNC(=O)CN1CCC[C@@H](N(C)C)C1 ZINC000109807317 385488015 /nfs/dbraw/zinc/48/80/15/385488015.db2.gz HGHILUBZOCVHMX-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CC[C@@H]1CCN(C(=O)CN2CCNCC2)C1 ZINC000166149835 385474419 /nfs/dbraw/zinc/47/44/19/385474419.db2.gz WDIJDONZSOBYPJ-LLVKDONJSA-N 0 3 225.336 0.150 20 0 BCADHN c1cn2c(n1)CC[C@H](CNCc1cc[nH]n1)C2 ZINC000275702676 385475740 /nfs/dbraw/zinc/47/57/40/385475740.db2.gz XSLCJFZFCOEFPA-SNVBAGLBSA-N 0 3 231.303 0.958 20 0 BCADHN COC(CN1CCCC[C@H]1C(=N)NO)OC ZINC000364600048 385479494 /nfs/dbraw/zinc/47/94/94/385479494.db2.gz MZQJBZJDNDAPBM-QMMMGPOBSA-N 0 3 231.296 0.416 20 0 BCADHN CN(CCCO)Cc1ccc(CO)cc1 ZINC000282028060 385480564 /nfs/dbraw/zinc/48/05/64/385480564.db2.gz YZOGEVGPXNQVEF-UHFFFAOYSA-N 0 3 209.289 0.993 20 0 BCADHN C[C@@]1(NC(=O)[C@H]2CNCCC2(F)F)CCOC1 ZINC000644105266 385480732 /nfs/dbraw/zinc/48/07/32/385480732.db2.gz FFOMFFUSSRZVMK-PSASIEDQSA-N 0 3 248.273 0.526 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@H]21)[C@@H](C)O ZINC000642978003 385482722 /nfs/dbraw/zinc/48/27/22/385482722.db2.gz ROCWAFJTZMQMSZ-WISYIIOYSA-N 0 3 240.347 0.556 20 0 BCADHN c1nc(CN2CCN(CC3CC3)CC2)c[nH]1 ZINC000179688875 385484472 /nfs/dbraw/zinc/48/44/72/385484472.db2.gz JCTUGPABVODBNM-UHFFFAOYSA-N 0 3 220.320 0.937 20 0 BCADHN c1ncc(CN2CCN(CC3CC3)CC2)[nH]1 ZINC000179688875 385484474 /nfs/dbraw/zinc/48/44/74/385484474.db2.gz JCTUGPABVODBNM-UHFFFAOYSA-N 0 3 220.320 0.937 20 0 BCADHN CCN1CCCN(C(=O)NC2CC2)CC1 ZINC000109812733 385488713 /nfs/dbraw/zinc/48/87/13/385488713.db2.gz DHIVOFMTQUSKEP-UHFFFAOYSA-N 0 3 211.309 0.886 20 0 BCADHN CC[C@](C)(O)CN[C@H](C)CS(=O)(=O)CC ZINC000121053799 385464055 /nfs/dbraw/zinc/46/40/55/385464055.db2.gz MOEIDGNAPCYICC-ZJUUUORDSA-N 0 3 237.365 0.560 20 0 BCADHN CCCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000110484704 385493387 /nfs/dbraw/zinc/49/33/87/385493387.db2.gz JLOZMPGDGWAFME-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN Cn1nncc1CN[C@]1(C)CCCOC1 ZINC000221357958 385494879 /nfs/dbraw/zinc/49/48/79/385494879.db2.gz OSULTRDWUBWALF-SNVBAGLBSA-N 0 3 210.281 0.474 20 0 BCADHN CN(CCN1CCOCC1)C[C@@H]1CCCO1 ZINC000111215956 385496843 /nfs/dbraw/zinc/49/68/43/385496843.db2.gz UGCKCJONFKXQNJ-LBPRGKRZSA-N 0 3 228.336 0.429 20 0 BCADHN c1ncc(CN2CCN(C3CC3)CC2)[nH]1 ZINC000179975166 385501928 /nfs/dbraw/zinc/50/19/28/385501928.db2.gz JRZBHRJOBRAHOS-UHFFFAOYSA-N 0 3 206.293 0.690 20 0 BCADHN CO[C@H](C)[C@@H](C)NCC1(S(C)(=O)=O)CCC1 ZINC000336775430 385505082 /nfs/dbraw/zinc/50/50/82/385505082.db2.gz YZYPOEOPVZSWDO-NXEZZACHSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@H]1CN(c2cc3c(nn2)CCC3)CCN1 ZINC000643008143 385505988 /nfs/dbraw/zinc/50/59/88/385505988.db2.gz IQNHZEUQDZNDQN-VIFPVBQESA-N 0 3 218.304 0.763 20 0 BCADHN CC[C@H](O)CN1CCN(CCOC)CC1 ZINC000106382491 385506518 /nfs/dbraw/zinc/50/65/18/385506518.db2.gz MJWALIBQFGZPDG-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H](O)C1(C)C ZINC000309277704 385507289 /nfs/dbraw/zinc/50/72/89/385507289.db2.gz MNKCVOFLXYTGCQ-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN C[S@@](=O)C[C@@H](NCCO)c1ccccc1 ZINC000183113902 385508596 /nfs/dbraw/zinc/50/85/96/385508596.db2.gz WYFXKOXYDNZSCL-IAQYHMDHSA-N 0 3 227.329 0.688 20 0 BCADHN CC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000304016679 385510292 /nfs/dbraw/zinc/51/02/92/385510292.db2.gz WVEVQLOSCGULGX-NSHDSACASA-N 0 3 214.309 0.215 20 0 BCADHN COC[C@H](NC[C@H](C)O)[C@@H]1CCCO1 ZINC000330363916 385511479 /nfs/dbraw/zinc/51/14/79/385511479.db2.gz YSPSSRPZSLTFCJ-GUBZILKMSA-N 0 3 203.282 0.151 20 0 BCADHN Cc1[nH]nc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1C ZINC000644811410 385513735 /nfs/dbraw/zinc/51/37/35/385513735.db2.gz AMZKEVYRAFCZLT-QWRGUYRKSA-N 0 3 248.330 0.803 20 0 BCADHN CC[C@H](NCCCOCCO)c1nccn1C ZINC000180240339 385516505 /nfs/dbraw/zinc/51/65/05/385516505.db2.gz HTVISHPSZUHVRP-NSHDSACASA-N 0 3 241.335 0.860 20 0 BCADHN COC[C@H](C)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000364783839 385517028 /nfs/dbraw/zinc/51/70/28/385517028.db2.gz HWGADMBQUNNWNN-ONGXEEELSA-N 0 3 228.292 0.596 20 0 BCADHN CC[C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)O1 ZINC000644143645 385530002 /nfs/dbraw/zinc/53/00/02/385530002.db2.gz YYVNPJJBCJJMCS-MMWGEVLESA-N 0 3 244.310 0.760 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@H](N)CC(F)F ZINC000309318938 385532312 /nfs/dbraw/zinc/53/23/12/385532312.db2.gz PVEMIMDAUWYVQG-PHDIDXHHSA-N 0 3 238.234 0.037 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccncc2F)C1 ZINC000644812789 385532908 /nfs/dbraw/zinc/53/29/08/385532908.db2.gz FECGCEXMGDUCIB-CABZTGNLSA-N 0 3 249.289 0.997 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3ccncc3F)[C@@H]2C1 ZINC000644812793 385533316 /nfs/dbraw/zinc/53/33/16/385533316.db2.gz FECGCEXMGDUCIB-JOYOIKCWSA-N 0 3 249.289 0.997 20 0 BCADHN CCN(CC)CC(=O)N(C)[C@@H]1CCOC1 ZINC000106850300 385534093 /nfs/dbraw/zinc/53/40/93/385534093.db2.gz VSKIQXFNXVRMIJ-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CC[C@](C)(CNC[C@@H]1CCCS1(=O)=O)OC ZINC000318974367 385536107 /nfs/dbraw/zinc/53/61/07/385536107.db2.gz FFZQNLZJFAIJOO-WDEREUQCSA-N 0 3 249.376 0.968 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 ZINC000644812947 385536537 /nfs/dbraw/zinc/53/65/37/385536537.db2.gz FRLXVHKBDCZSRT-HBNTYKKESA-N 0 3 224.304 0.185 20 0 BCADHN CC(=O)NCCCNC(=O)[C@H](C(C)C)N(C)C ZINC000106904452 385538090 /nfs/dbraw/zinc/53/80/90/385538090.db2.gz OVMHOCMWDOPMNS-NSHDSACASA-N 0 3 243.351 0.215 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000157979862 385541724 /nfs/dbraw/zinc/54/17/24/385541724.db2.gz WJKZWHAEYKBMEE-ZJUUUORDSA-N 0 3 234.303 0.124 20 0 BCADHN CC(C)[C@]1(CO)CCCN([C@H]2CCNC2=O)C1 ZINC000334389981 385542145 /nfs/dbraw/zinc/54/21/45/385542145.db2.gz SNVGLIPIYJZZCA-WCQYABFASA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H](CO)N(C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000498051243 385543745 /nfs/dbraw/zinc/54/37/45/385543745.db2.gz ZNJRJOSFXBJGBA-AXFHLTTASA-N 0 3 243.351 0.491 20 0 BCADHN COCC[C@](C)(O)CNCc1cccnc1 ZINC000172069196 385546365 /nfs/dbraw/zinc/54/63/65/385546365.db2.gz FMBPMALXCGTTAP-LBPRGKRZSA-N 0 3 224.304 0.959 20 0 BCADHN C[C@@H](NC[C@@H]1CCC=CO1)C(=O)NCCF ZINC000282253520 385546571 /nfs/dbraw/zinc/54/65/71/385546571.db2.gz BIFQTQMGFJSCRA-ZJUUUORDSA-N 0 3 230.283 0.743 20 0 BCADHN CSCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000334423272 385546833 /nfs/dbraw/zinc/54/68/33/385546833.db2.gz VJGMTDJSUDUVKA-VHSXEESVSA-N 0 3 228.361 0.902 20 0 BCADHN COCC[C@](C)(O)CNCc1cnn(C)c1 ZINC000172072579 385546894 /nfs/dbraw/zinc/54/68/94/385546894.db2.gz HFKJVXWLUATTEF-NSHDSACASA-N 0 3 227.308 0.297 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644811933 385520606 /nfs/dbraw/zinc/52/06/06/385520606.db2.gz BKXOETCMYMKUHD-NOOOWODRSA-N 0 3 238.331 0.574 20 0 BCADHN Cc1ncsc1CCNC1(C(N)=O)CC1 ZINC000183843164 385523415 /nfs/dbraw/zinc/52/34/15/385523415.db2.gz GAWPMABBDPKQPA-UHFFFAOYSA-N 0 3 225.317 0.602 20 0 BCADHN CCc1cc(NC(=O)[C@@H]2C[C@@H]2N)n(C)n1 ZINC000334247173 385524127 /nfs/dbraw/zinc/52/41/27/385524127.db2.gz KDDOOVODGHERQB-SFYZADRCSA-N 0 3 208.265 0.268 20 0 BCADHN Cc1cc(C(=O)N2CCN(C)CC[C@@H]2C)[nH]n1 ZINC000334242618 385525166 /nfs/dbraw/zinc/52/51/66/385525166.db2.gz QPUVSGXGFMDGJN-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN Cc1cc(C(=O)N2CCN(C)CC[C@@H]2C)n[nH]1 ZINC000334242618 385525170 /nfs/dbraw/zinc/52/51/70/385525170.db2.gz QPUVSGXGFMDGJN-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN C[C@@H]1C[C@H](C)[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)O1 ZINC000644142800 385526322 /nfs/dbraw/zinc/52/63/22/385526322.db2.gz IKNXEHTWDXQCMP-SSRBZLIGSA-N 0 3 244.310 0.616 20 0 BCADHN CC(C)COCCN[C@@H]1C(=O)NCC[C@@H]1C ZINC000309370040 385553939 /nfs/dbraw/zinc/55/39/39/385553939.db2.gz QHWLAECXCWJLAH-QWRGUYRKSA-N 0 3 228.336 0.773 20 0 BCADHN CC(C)N1CCC(CS(N)(=O)=O)CC1 ZINC000334451680 385554938 /nfs/dbraw/zinc/55/49/38/385554938.db2.gz WOWHAUKKMYKDBV-UHFFFAOYSA-N 0 3 220.338 0.395 20 0 BCADHN Cc1ccncc1CNC[C@@H](O)[C@H]1CCOC1 ZINC000354483781 385557306 /nfs/dbraw/zinc/55/73/06/385557306.db2.gz VVBLUIYQNRZWNN-WCQYABFASA-N 0 3 236.315 0.877 20 0 BCADHN COCC[C@H](COC)NCc1cncnc1 ZINC000309390237 385559030 /nfs/dbraw/zinc/55/90/30/385559030.db2.gz SVBNGCGBNGAIRF-LLVKDONJSA-N 0 3 225.292 0.618 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)Cn2cccn2)C1 ZINC000644814975 385561485 /nfs/dbraw/zinc/56/14/85/385561485.db2.gz NKTQKKODRUPSAG-QWRGUYRKSA-N 0 3 234.303 0.046 20 0 BCADHN C[C@H](N[C@H]1CN(C)C[C@@H]1C)C(=O)NCCF ZINC000309397162 385562741 /nfs/dbraw/zinc/56/27/41/385562741.db2.gz GTBUIJFOTGQBBM-GUBZILKMSA-N 0 3 231.315 0.000 20 0 BCADHN O=C(CNC[C@@H]1CCC=CO1)N1CCOCC1 ZINC000181232944 385567548 /nfs/dbraw/zinc/56/75/48/385567548.db2.gz XKJAMAHXKGMCIV-NSHDSACASA-N 0 3 240.303 0.128 20 0 BCADHN COC(=O)CNC(=O)CN(C)CCC(C)(C)C ZINC000592145090 385568251 /nfs/dbraw/zinc/56/82/51/385568251.db2.gz VIHKQYDNPXWVNV-UHFFFAOYSA-N 0 3 244.335 0.644 20 0 BCADHN Cc1cc(CC(=O)N2CC[C@H]3CN(C)C[C@@H]32)[nH]n1 ZINC000644815463 385569712 /nfs/dbraw/zinc/56/97/12/385569712.db2.gz PYOCXJYUSQQCCU-JQWIXIFHSA-N 0 3 248.330 0.423 20 0 BCADHN C=Cn1cc(CNC[C@H](O)COCC)cn1 ZINC000309422918 385577261 /nfs/dbraw/zinc/57/72/61/385577261.db2.gz LOJFDBIPQGWYKV-NSHDSACASA-N 0 3 225.292 0.471 20 0 BCADHN Cc1c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cnn1C ZINC000644815592 385570569 /nfs/dbraw/zinc/57/05/69/385570569.db2.gz QSDCHPJFKSRZMK-CMPLNLGQSA-N 0 3 248.330 0.505 20 0 BCADHN CN(CC(=O)NC(N)=O)C1(C)CCCC1 ZINC000334552249 385571330 /nfs/dbraw/zinc/57/13/30/385571330.db2.gz PADPBRMBAIMOHP-UHFFFAOYSA-N 0 3 213.281 0.446 20 0 BCADHN CN[C@@H](C)C(=O)N(C)C[C@@H]1CCCO1 ZINC000054076555 385594214 /nfs/dbraw/zinc/59/42/14/385594214.db2.gz BYZUJLWSHBRXCG-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN CN[C@@H](C)C(=O)N(C)C[C@H]1CCCCO1 ZINC000054076561 385595047 /nfs/dbraw/zinc/59/50/47/385595047.db2.gz HIPHAAPAXJLXOL-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CN[C@@H](C)C(=O)N1CCN(CC2CC2)CC1 ZINC000054075285 385595155 /nfs/dbraw/zinc/59/51/55/385595155.db2.gz GASCUFAAAFRNBS-JTQLQIEISA-N 0 3 225.336 0.149 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H]1CCCOC1 ZINC000054075665 385595376 /nfs/dbraw/zinc/59/53/76/385595376.db2.gz TZLZRVLPEVXWHR-DTWKUNHWSA-N 0 3 200.282 0.137 20 0 BCADHN COC(=O)C(C)(C)CCNCC(=O)N(C)C ZINC000309467799 385597656 /nfs/dbraw/zinc/59/76/56/385597656.db2.gz PWCGBEVLQUBFDL-UHFFFAOYSA-N 0 3 230.308 0.254 20 0 BCADHN COC[C@@H](N[C@@H](C)C(=O)NCCF)C(C)C ZINC000309472642 385600823 /nfs/dbraw/zinc/60/08/23/385600823.db2.gz RBRWREUORDINBS-VHSXEESVSA-N 0 3 234.315 0.721 20 0 BCADHN CC[C@H](C)[C@H](C)C(=O)N[C@@H](CO)CN(C)C ZINC000647710892 385603268 /nfs/dbraw/zinc/60/32/68/385603268.db2.gz TZWIBVCUZORGIT-GARJFASQSA-N 0 3 230.352 0.707 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2ccno2)C1 ZINC000280796443 385605086 /nfs/dbraw/zinc/60/50/86/385605086.db2.gz RNMBLLPJUTXJJK-JTQLQIEISA-N 0 3 209.249 0.372 20 0 BCADHN C[C@H](O)CCN[C@@H](CS(C)(=O)=O)C1CC1 ZINC000340245760 385581953 /nfs/dbraw/zinc/58/19/53/385581953.db2.gz QVAFTYUAZIOXHP-WPRPVWTQSA-N 0 3 235.349 0.170 20 0 BCADHN C[C@H]1[C@@H](NCc2cnnn2C)CCCN1C ZINC000309443551 385584222 /nfs/dbraw/zinc/58/42/22/385584222.db2.gz KSNQPBLGZPCSCN-ONGXEEELSA-N 0 3 223.324 0.387 20 0 BCADHN C[C@@H]1[C@@H](NCc2cnnn2C)CCCN1C ZINC000309443549 385584317 /nfs/dbraw/zinc/58/43/17/385584317.db2.gz KSNQPBLGZPCSCN-KOLCDFICSA-N 0 3 223.324 0.387 20 0 BCADHN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1c[nH]cn1 ZINC000309451867 385585467 /nfs/dbraw/zinc/58/54/67/385585467.db2.gz OMGJIBRXAMXKDV-MRVPVSSYSA-N 0 3 246.336 0.206 20 0 BCADHN CC[C@H]1CCN(CC(=O)NC(=O)NC)C1 ZINC000125086182 385585516 /nfs/dbraw/zinc/58/55/16/385585516.db2.gz HLJACBNKBXNBKG-QMMMGPOBSA-N 0 3 213.281 0.174 20 0 BCADHN CC(C)[C@@H](O)CN[C@@H](C(N)=O)C(C)(C)C ZINC000336649061 385587639 /nfs/dbraw/zinc/58/76/39/385587639.db2.gz FOEAHJLTXGZLIB-IUCAKERBSA-N 0 3 216.325 0.493 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000036871753 385588072 /nfs/dbraw/zinc/58/80/72/385588072.db2.gz HIXLDNLIWAFXSU-CIUDSAMLSA-N 0 3 200.282 0.360 20 0 BCADHN COc1ncncc1NC(=O)NCCN(C)C ZINC000181627201 385588850 /nfs/dbraw/zinc/58/88/50/385588850.db2.gz XLXCFIPQMZWQSD-UHFFFAOYSA-N 0 3 239.279 0.168 20 0 BCADHN Cc1cnn(CC(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000644816529 385590345 /nfs/dbraw/zinc/59/03/45/385590345.db2.gz VSPHNAFBBTVZMS-VXGBXAGGSA-N 0 3 248.330 0.354 20 0 BCADHN Cc1cnn(CC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000644816526 385590439 /nfs/dbraw/zinc/59/04/39/385590439.db2.gz VSPHNAFBBTVZMS-NEPJUHHUSA-N 0 3 248.330 0.354 20 0 BCADHN CN(C[C@@H](O)CN(C)C1CC1)CC(F)(F)F ZINC000336650982 385614032 /nfs/dbraw/zinc/61/40/32/385614032.db2.gz HTBFZSBEKKIAHX-SECBINFHSA-N 0 3 240.269 0.936 20 0 BCADHN COCCCC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644820850 385615984 /nfs/dbraw/zinc/61/59/84/385615984.db2.gz YHAUMXDIPAFKOF-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@H](NC[C@H]1CCCOC1)c1ncnn1C ZINC000336678329 385616349 /nfs/dbraw/zinc/61/63/49/385616349.db2.gz ABBXTXJNFZNISX-VHSXEESVSA-N 0 3 224.308 0.892 20 0 BCADHN CN(C)C/C=C/C(=O)NC1(C)CCOCC1 ZINC000269790404 385636250 /nfs/dbraw/zinc/63/62/50/385636250.db2.gz JSQJNNHIDMUPJS-SNAWJCMRSA-N 0 3 226.320 0.790 20 0 BCADHN Cn1cc(CN[C@]2(CCO)CCOC2)cn1 ZINC000309496499 385617104 /nfs/dbraw/zinc/61/71/04/385617104.db2.gz KILWBKOKVWXDTM-LLVKDONJSA-N 0 3 225.292 0.051 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cnns2)CCN1C ZINC000408180268 385617716 /nfs/dbraw/zinc/61/77/16/385617716.db2.gz ORTINPUWFHQEBP-SFYZADRCSA-N 0 3 240.332 0.751 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCC(CO)CC1 ZINC000408198744 385618459 /nfs/dbraw/zinc/61/84/59/385618459.db2.gz OMYKJHUROHZNRW-NSHDSACASA-N 0 3 215.293 0.031 20 0 BCADHN Cc1nc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c[nH]1 ZINC000644817419 385618589 /nfs/dbraw/zinc/61/85/89/385618589.db2.gz HYEYQZABNBBMDV-ONGXEEELSA-N 0 3 234.303 0.494 20 0 BCADHN COC[C@H](CO)N[C@H](C)c1cccc(CO)c1 ZINC000280949082 385620751 /nfs/dbraw/zinc/62/07/51/385620751.db2.gz JNIYILGBGZSVEY-MFKMUULPSA-N 0 3 239.315 0.837 20 0 BCADHN COC(=O)CCN(C(=O)CNC(C)C)C(C)C ZINC000595250377 385622746 /nfs/dbraw/zinc/62/27/46/385622746.db2.gz MRJYPHJLXDMBST-UHFFFAOYSA-N 0 3 244.335 0.785 20 0 BCADHN CC[C@@H](COC)NC(=O)C(N)C(F)(F)F ZINC000309497722 385623747 /nfs/dbraw/zinc/62/37/47/385623747.db2.gz UFWTYFKWQVVCGQ-WDSKDSINSA-N 0 3 228.214 0.417 20 0 BCADHN CCN(CCNCc1cc[nH]n1)C1CC1 ZINC000066992029 385624505 /nfs/dbraw/zinc/62/45/05/385624505.db2.gz DBJMDHVBJKKCFV-UHFFFAOYSA-N 0 3 208.309 0.984 20 0 BCADHN CC[C@H](COC)NC(=O)C(N)C(F)(F)F ZINC000309497720 385625448 /nfs/dbraw/zinc/62/54/48/385625448.db2.gz UFWTYFKWQVVCGQ-RITPCOANSA-N 0 3 228.214 0.417 20 0 BCADHN CCONC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000365187309 385631080 /nfs/dbraw/zinc/63/10/80/385631080.db2.gz RLXNLSUPSRJBNH-ZJUUUORDSA-N 0 3 243.307 0.100 20 0 BCADHN C[C@@H](NCCNC(=O)c1ccn[nH]1)c1cn[nH]c1 ZINC000281077345 385632895 /nfs/dbraw/zinc/63/28/95/385632895.db2.gz UEOLGBRZOSIUAK-MRVPVSSYSA-N 0 3 248.290 0.213 20 0 BCADHN CC(C)N(C[C@@H]1COCCO1)[C@@H]1CCOC1 ZINC000451052814 385635155 /nfs/dbraw/zinc/63/51/55/385635155.db2.gz XCKRXPXFKSZRNF-VXGBXAGGSA-N 0 3 229.320 0.901 20 0 BCADHN CC[C@](C)(N)c1cn(CC(=O)OC)nn1 ZINC000594643000 385609696 /nfs/dbraw/zinc/60/96/96/385609696.db2.gz DGSQTOAHWJWEIO-VIFPVBQESA-N 0 3 212.253 0.035 20 0 BCADHN CC[C@H](OC)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644824713 385664265 /nfs/dbraw/zinc/66/42/65/385664265.db2.gz ZCTPWTPPVQDEMV-AXFHLTTASA-N 0 3 226.320 0.574 20 0 BCADHN COCCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644821888 385639565 /nfs/dbraw/zinc/63/95/65/385639565.db2.gz MNNSPNIJWHNPGQ-NXEZZACHSA-N 0 3 212.293 0.185 20 0 BCADHN COCC[C@H](CO)N[C@H](C)c1ccnn1C ZINC000281149003 385639817 /nfs/dbraw/zinc/63/98/17/385639817.db2.gz AURMURNNGSEWKU-NXEZZACHSA-N 0 3 227.308 0.468 20 0 BCADHN Cc1noc([C@@]2(O)CCN(C3CCC3)C2)n1 ZINC000365700990 385639951 /nfs/dbraw/zinc/63/99/51/385639951.db2.gz JAUGKUHOBCVFOI-LLVKDONJSA-N 0 3 223.276 0.824 20 0 BCADHN COC[C@H](C)CNC(=O)C(N)C(F)(F)F ZINC000309506644 385641496 /nfs/dbraw/zinc/64/14/96/385641496.db2.gz WBQHEBJEZKXRQE-PHDIDXHHSA-N 0 3 228.214 0.275 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000055421573 385641471 /nfs/dbraw/zinc/64/14/71/385641471.db2.gz KSIJTPOHKLLYQL-ZETCQYMHSA-N 0 3 221.260 0.332 20 0 BCADHN Cc1nnsc1CNC[C@@H](C)CO ZINC000308336298 385641781 /nfs/dbraw/zinc/64/17/81/385641781.db2.gz OFDWUMNDCWUSJY-ZCFIWIBFSA-N 0 3 201.295 0.565 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N(C)C1CCC1 ZINC000408451170 385642436 /nfs/dbraw/zinc/64/24/36/385642436.db2.gz IEDFKFRVQXLPAP-QMMMGPOBSA-N 0 3 227.308 0.705 20 0 BCADHN Cc1ocnc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644822341 385644324 /nfs/dbraw/zinc/64/43/24/385644324.db2.gz RNQGCQJFLHYEKL-VHSXEESVSA-N 0 3 235.287 0.759 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000336682935 385646278 /nfs/dbraw/zinc/64/62/78/385646278.db2.gz YUHCMAMOUKOEAJ-JGVFFNPUSA-N 0 3 236.262 0.606 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)N[C@H]1CC1(C)C ZINC000337405007 385650812 /nfs/dbraw/zinc/65/08/12/385650812.db2.gz LIXVFUVXIWYNAU-CABZTGNLSA-N 0 3 243.351 0.397 20 0 BCADHN CN(CCO)Cc1ccc2oc(=O)n(C)c2c1 ZINC000259117947 385652475 /nfs/dbraw/zinc/65/24/75/385652475.db2.gz VQKHFHUJLBYHNU-UHFFFAOYSA-N 0 3 236.271 0.556 20 0 BCADHN Cn1cc(CC(=O)N2CC[C@@H]3CN(C)C[C@H]32)cn1 ZINC000644823782 385653033 /nfs/dbraw/zinc/65/30/33/385653033.db2.gz PFYJIUDKQHKUPX-VXGBXAGGSA-N 0 3 248.330 0.125 20 0 BCADHN NC(=O)CN1CC[C@@H](N2CCCCC2)C1 ZINC000062982350 134463421 /nfs/dbraw/zinc/46/34/21/134463421.db2.gz ACWPARBIHIUITA-SNVBAGLBSA-N 0 3 211.309 0.032 20 0 BCADHN COCCCCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644824799 385665899 /nfs/dbraw/zinc/66/58/99/385665899.db2.gz ZWYNRDJAJRGDOE-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H]1CCOC1)N(C)C ZINC000337434958 385660100 /nfs/dbraw/zinc/66/01/00/385660100.db2.gz AQIRVYRFFSAQLZ-NXEZZACHSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)N)[C@@H](C)O1 ZINC000307289114 385662805 /nfs/dbraw/zinc/66/28/05/385662805.db2.gz XZECYGXZJFFAFO-BWZBUEFSSA-N 0 3 200.282 0.406 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)no1 ZINC000644824674 385664058 /nfs/dbraw/zinc/66/40/58/385664058.db2.gz YSEFLWHAZBGNLO-KOLCDFICSA-N 0 3 235.287 0.759 20 0 BCADHN CC[C@H](C)OCC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644824672 385664080 /nfs/dbraw/zinc/66/40/80/385664080.db2.gz YNMDVQHDKNUUQI-TUAOUCFPSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H]1CCO[C@@H]1C ZINC000119467354 385671908 /nfs/dbraw/zinc/67/19/08/385671908.db2.gz CSWHDDVWUPKFKA-NXEZZACHSA-N 0 3 229.324 0.415 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cncnc2)C1 ZINC000644819676 385674290 /nfs/dbraw/zinc/67/42/90/385674290.db2.gz SPBYUYCFNQKWIZ-ONGXEEELSA-N 0 3 232.287 0.253 20 0 BCADHN CSC1(CNC(C)=O)CCN(C)CC1 ZINC000334595008 385674769 /nfs/dbraw/zinc/67/47/69/385674769.db2.gz WMVYUBVCSQAADC-UHFFFAOYSA-N 0 3 216.350 0.950 20 0 BCADHN COC(=O)[C@@H](C)N(C)C(=O)/C=C/CN(C)C ZINC000281490684 385675632 /nfs/dbraw/zinc/67/56/32/385675632.db2.gz DTIDOTDXZKIKRL-XCODYQFDSA-N 0 3 228.292 0.124 20 0 BCADHN CCN(CCO)CCNCc1cscn1 ZINC000184548804 385676420 /nfs/dbraw/zinc/67/64/20/385676420.db2.gz FKLSCCIUAYIHPY-UHFFFAOYSA-N 0 3 229.349 0.547 20 0 BCADHN COC(=O)[C@@H]1CN(CCO)CC12CCC2 ZINC000365710171 385676371 /nfs/dbraw/zinc/67/63/71/385676371.db2.gz GQHVWRJUFVXSKJ-VIFPVBQESA-N 0 3 213.277 0.254 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)c3ccn(C)n3)[C@@H]2C1 ZINC000644826291 385678582 /nfs/dbraw/zinc/67/85/82/385678582.db2.gz GPKTZUPCMPNQDF-CMPLNLGQSA-N 0 3 248.330 0.586 20 0 BCADHN CC(=O)[C@](C)(O)CN1CC[C@H](C)[C@H](O)C1 ZINC000408455482 385681830 /nfs/dbraw/zinc/68/18/30/385681830.db2.gz 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C[C@@H](CNC(=O)c1cnnn1C)N(C)C1CC1 ZINC000281698346 385695609 /nfs/dbraw/zinc/69/56/09/385695609.db2.gz SONBLZGUYFFIOP-QMMMGPOBSA-N 0 3 237.307 0.028 20 0 BCADHN C[C@H](NCCC(=O)NC(N)=O)c1ccccc1 ZINC000281738789 385697184 /nfs/dbraw/zinc/69/71/84/385697184.db2.gz IJTJTHFCHGLLEL-VIFPVBQESA-N 0 3 235.287 0.922 20 0 BCADHN Cc1cnc(CN[C@@H](C)CN(C)C)n1C ZINC000336735514 385700154 /nfs/dbraw/zinc/70/01/54/385700154.db2.gz OIXXWQYDWWBOKQ-VIFPVBQESA-N 0 3 210.325 0.768 20 0 BCADHN O=C1CCN(CCCn2ccnc2)CCN1 ZINC000182750479 385700625 /nfs/dbraw/zinc/70/06/25/385700625.db2.gz SEFLRFJCAIORSC-UHFFFAOYSA-N 0 3 222.292 0.095 20 0 BCADHN CS(=O)(=O)C1(CN[C@H]2CCOC2)CCCC1 ZINC000336687119 385702087 /nfs/dbraw/zinc/70/20/87/385702087.db2.gz JGKOPMVTFQOOLR-JTQLQIEISA-N 0 3 247.360 0.722 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](OC)[C@H](OC)C1 ZINC000337551906 385707007 /nfs/dbraw/zinc/70/70/07/385707007.db2.gz HBCVMCFGQRTRBF-GHMZBOCLSA-N 0 3 244.335 0.200 20 0 BCADHN C[C@H](O)CN(C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000182796697 385707093 /nfs/dbraw/zinc/70/70/93/385707093.db2.gz LUXAXIJXBLNTRK-BIMULSAOSA-N 0 3 221.300 0.957 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000337570483 385707977 /nfs/dbraw/zinc/70/79/77/385707977.db2.gz QWZXHXLZZRZIHI-SDDRHHMPSA-N 0 3 240.347 0.843 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCC[C@@](C)(O)C1 ZINC000408457707 385708488 /nfs/dbraw/zinc/70/84/88/385708488.db2.gz QDIOZQOQHXRHDK-MNOVXSKESA-N 0 3 215.293 0.173 20 0 BCADHN C[C@H](N[C@H]1Cc2cccc(O)c2C1)C(N)=O ZINC000309588368 385714148 /nfs/dbraw/zinc/71/41/48/385714148.db2.gz SWXVZGJTUGOSJX-CBAPKCEASA-N 0 3 220.272 0.323 20 0 BCADHN CCN(CCOCCO)CCn1ccnc1 ZINC000281939800 385716305 /nfs/dbraw/zinc/71/63/05/385716305.db2.gz DWRZHPOOKUHIKP-UHFFFAOYSA-N 0 3 227.308 0.214 20 0 BCADHN CN(C)C(=O)CN1CCC[C@H](c2nc[nH]n2)C1 ZINC000408208545 385666823 /nfs/dbraw/zinc/66/68/23/385666823.db2.gz NSGZJDUNWLUSSF-VIFPVBQESA-N 0 3 237.307 0.072 20 0 BCADHN CCN1CCCN(C(=O)c2c[nH]c(C)n2)CC1 ZINC000270088700 385667886 /nfs/dbraw/zinc/66/78/86/385667886.db2.gz MMYKBTWHRBLCQF-UHFFFAOYSA-N 0 3 236.319 0.886 20 0 BCADHN CCN1CCCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC000270088700 385667890 /nfs/dbraw/zinc/66/78/90/385667890.db2.gz MMYKBTWHRBLCQF-UHFFFAOYSA-N 0 3 236.319 0.886 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H](C)[C@@H]1CO ZINC000337459570 385670658 /nfs/dbraw/zinc/67/06/58/385670658.db2.gz LMHJEDYKRQMRDC-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CCCCN(CCCn1ccnc1)CC(N)=O ZINC000183162358 385736941 /nfs/dbraw/zinc/73/69/41/385736941.db2.gz MNWSONKNSNQJSW-UHFFFAOYSA-N 0 3 238.335 0.861 20 0 BCADHN COC[C@@H](CN[C@@H](C)c1cn[nH]c1)OC ZINC000336694790 385743220 /nfs/dbraw/zinc/74/32/20/385743220.db2.gz NMVYIPBXAFIGBX-WCBMZHEXSA-N 0 3 213.281 0.722 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CSC[C@@H]1C ZINC000336696710 385746318 /nfs/dbraw/zinc/74/63/18/385746318.db2.gz ULFDDOSOCUARKD-IUCAKERBSA-N 0 3 216.350 0.806 20 0 BCADHN CCN(CC)C(=O)CNC(C)(C)CC(N)=O ZINC000186233392 385749847 /nfs/dbraw/zinc/74/98/47/385749847.db2.gz 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0.867 20 0 BCADHN Cc1ccn2ncc(C(=O)NCCN(C)C)c2c1 ZINC000271037721 385775871 /nfs/dbraw/zinc/77/58/71/385775871.db2.gz GPVRQFNLCJRIFL-UHFFFAOYSA-N 0 3 246.314 0.934 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CCO1 ZINC000647915793 385779115 /nfs/dbraw/zinc/77/91/15/385779115.db2.gz UKHOHDBGSVVFKD-RKDXNWHRSA-N 0 3 248.273 0.479 20 0 BCADHN CCc1ccc(CNCCOCCO)cn1 ZINC000309670738 385784035 /nfs/dbraw/zinc/78/40/35/385784035.db2.gz VWIYHWXWSDDGPO-UHFFFAOYSA-N 0 3 224.304 0.743 20 0 BCADHN CS[C@@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000308199986 385719281 /nfs/dbraw/zinc/71/92/81/385719281.db2.gz XHHOZEOCBMGGRZ-YUMQZZPRSA-N 0 3 204.339 0.804 20 0 BCADHN C[C@H](O)CCN1CCN(C2CCC2)CC1 ZINC000336654124 385721155 /nfs/dbraw/zinc/72/11/55/385721155.db2.gz ZLERKKMIMFAMFC-NSHDSACASA-N 0 3 212.337 0.927 20 0 BCADHN C[C@@H](N)C(=O)N1CCCO[C@@H]2CCC[C@@H]21 ZINC000309592590 385723264 /nfs/dbraw/zinc/72/32/64/385723264.db2.gz HFRTZSCAUINCGF-KXUCPTDWSA-N 0 3 212.293 0.504 20 0 BCADHN CCN(CC)CC(=O)N(C)CC1(CO)CC1 ZINC000337589202 385723331 /nfs/dbraw/zinc/72/33/31/385723331.db2.gz HFOVKRKQATUMMN-UHFFFAOYSA-N 0 3 228.336 0.559 20 0 BCADHN C[C@@H](NCC(=O)NCC1CCC1)[C@H](C)CO ZINC000309596496 385724585 /nfs/dbraw/zinc/72/45/85/385724585.db2.gz WJNVCQKIFCAHMA-NXEZZACHSA-N 0 3 228.336 0.509 20 0 BCADHN CC(C)[C@H](CO)CN[C@H]1CCCS(=O)(=O)C1 ZINC000309597617 385725377 /nfs/dbraw/zinc/72/53/77/385725377.db2.gz IZQIYTTWCSWEGZ-QWRGUYRKSA-N 0 3 249.376 0.418 20 0 BCADHN CCCCOCCN(CCO)C[C@H](C)O ZINC000336711098 385799791 /nfs/dbraw/zinc/79/97/91/385799791.db2.gz UJKZHNYOTFUVSD-NSHDSACASA-N 0 3 219.325 0.478 20 0 BCADHN CCN(CCO)CCNC(=O)c1cc(C)on1 ZINC000183926006 385804087 /nfs/dbraw/zinc/80/40/87/385804087.db2.gz SXXVCOXRZRIPMF-UHFFFAOYSA-N 0 3 241.291 0.027 20 0 BCADHN CO[C@@H]1CN(CCc2ccnn2C)C[C@@H]1OC ZINC000283043648 385805206 /nfs/dbraw/zinc/80/52/06/385805206.db2.gz JAXMUQNGOPCRJP-TXEJJXNPSA-N 0 3 239.319 0.308 20 0 BCADHN CCN(CCCO)Cc1ccc(CO)o1 ZINC000271220539 385806724 /nfs/dbraw/zinc/80/67/24/385806724.db2.gz ZBGBYVWZOPVZLE-UHFFFAOYSA-N 0 3 213.277 0.976 20 0 BCADHN O=C(CO)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000283083604 385807227 /nfs/dbraw/zinc/80/72/27/385807227.db2.gz BETZGFVIWYQZAT-LBPRGKRZSA-N 0 3 234.299 0.369 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000402104834 385809882 /nfs/dbraw/zinc/80/98/82/385809882.db2.gz UJTUQDQMXSVJGJ-JLIMGVALSA-N 0 3 214.309 0.653 20 0 BCADHN COC[C@@H](O)CN[C@H]1CCCc2n[nH]cc21 ZINC000336716472 385811496 /nfs/dbraw/zinc/81/14/96/385811496.db2.gz WEXYBSGIQKPUFL-WPRPVWTQSA-N 0 3 225.292 0.384 20 0 BCADHN COC[C@@H](O)CN[C@@H]1CCCc2n[nH]cc21 ZINC000336716468 385812086 /nfs/dbraw/zinc/81/20/86/385812086.db2.gz WEXYBSGIQKPUFL-WCBMZHEXSA-N 0 3 225.292 0.384 20 0 BCADHN COCC[NH2+]CCNC(=O)c1ccccc1[O-] ZINC000216349134 385813443 /nfs/dbraw/zinc/81/34/43/385813443.db2.gz LFMNXKUPJANAIP-UHFFFAOYSA-N 0 3 238.287 0.358 20 0 BCADHN CN(CCc1ccnn1C)CC1(CO)CC1 ZINC000283327137 385815863 /nfs/dbraw/zinc/81/58/63/385815863.db2.gz YWKBBCNBDRWYJP-UHFFFAOYSA-N 0 3 223.320 0.667 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000638540913 385815717 /nfs/dbraw/zinc/81/57/17/385815717.db2.gz CEWWKYUPRXEFTC-OPRDCNLKSA-N 0 3 241.335 0.130 20 0 BCADHN CN(CCOCCO)C[C@H](O)C(C)(C)C ZINC000336716637 385818024 /nfs/dbraw/zinc/81/80/24/385818024.db2.gz XKTKMSCCKJKPON-JTQLQIEISA-N 0 3 219.325 0.334 20 0 BCADHN CN(C)CCNc1cc(-n2cccn2)nc(N)n1 ZINC000271340218 385819898 /nfs/dbraw/zinc/81/98/98/385819898.db2.gz CPJLNTVRSUFVEP-UHFFFAOYSA-N 0 3 247.306 0.218 20 0 BCADHN COC[C@@H](C)N(C)CCc1cnccn1 ZINC000271376516 385822688 /nfs/dbraw/zinc/82/26/88/385822688.db2.gz SDKCGJNUHUZHFZ-SNVBAGLBSA-N 0 3 209.293 0.986 20 0 BCADHN CCOc1cc(C(=O)NC[C@@H](C)N(C)C)on1 ZINC000294214518 385824424 /nfs/dbraw/zinc/82/44/24/385824424.db2.gz CSBACRXGZBWBLO-MRVPVSSYSA-N 0 3 241.291 0.753 20 0 BCADHN CC[C@H]1CN(Cc2ccc(CO)o2)C[C@@H]1O ZINC000271403505 385826144 /nfs/dbraw/zinc/82/61/44/385826144.db2.gz WFTNVUUEOGCTLH-CABZTGNLSA-N 0 3 225.288 0.975 20 0 BCADHN CC[C@@H](O)CNCc1c(C)nn(C)c1N(C)C ZINC000643369464 385826585 /nfs/dbraw/zinc/82/65/85/385826585.db2.gz RJGGAXWZIPERSE-SNVBAGLBSA-N 0 3 240.351 0.655 20 0 BCADHN CCCN1CCN(c2cncc3nncn32)CC1 ZINC000337918802 385826694 /nfs/dbraw/zinc/82/66/94/385826694.db2.gz VWUFDIPULDDRQZ-UHFFFAOYSA-N 0 3 246.318 0.656 20 0 BCADHN COC(=O)c1cc(NC(=O)[C@@H](C)N)cn1C ZINC000261668916 385827045 /nfs/dbraw/zinc/82/70/45/385827045.db2.gz ALPSGPXKDRGFNC-ZCFIWIBFSA-N 0 3 225.248 0.097 20 0 BCADHN COc1cc(CN(C)CCO)cc(OC)c1O ZINC000283711463 385830482 /nfs/dbraw/zinc/83/04/82/385830482.db2.gz AGMJFFAHCHOYFS-UHFFFAOYSA-N 0 3 241.287 0.834 20 0 BCADHN C[C@H](N[C@@H]1CN(C)C[C@H]1C)C(=O)N(C)C ZINC000336738278 385835173 /nfs/dbraw/zinc/83/51/73/385835173.db2.gz RDDKQEOPPVHCFX-KXUCPTDWSA-N 0 3 213.325 0.003 20 0 BCADHN C[C@H](N[C@@H]1CN(C)C[C@@H]1C)C(=O)N(C)C ZINC000336738279 385835310 /nfs/dbraw/zinc/83/53/10/385835310.db2.gz RDDKQEOPPVHCFX-LPEHRKFASA-N 0 3 213.325 0.003 20 0 BCADHN CCCCN(C)CCNC(=O)c1ccnn1C ZINC000112309888 385838885 /nfs/dbraw/zinc/83/88/85/385838885.db2.gz AOYVFCDHBSVFKV-UHFFFAOYSA-N 0 3 238.335 0.882 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](N)CCC(=O)OC ZINC000336725296 385839208 /nfs/dbraw/zinc/83/92/08/385839208.db2.gz BLCRDYMPUUJHNS-SFYZADRCSA-N 0 3 216.281 0.182 20 0 BCADHN CCCCN(C)CCNC(=O)[C@@H]1CCOC1 ZINC000112310490 385839890 /nfs/dbraw/zinc/83/98/90/385839890.db2.gz IFCMAAXMRIBSMW-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@H](N[C@@H](C)[C@H]1CCCO1)C(=O)NCCF ZINC000336725281 385841834 /nfs/dbraw/zinc/84/18/34/385841834.db2.gz BKZBBKKGBXGHNX-LPEHRKFASA-N 0 3 232.299 0.618 20 0 BCADHN CCCCN(C)CCNC(=O)NCCOC ZINC000112429886 385844132 /nfs/dbraw/zinc/84/41/32/385844132.db2.gz ZHPAQRBOGXZEBS-UHFFFAOYSA-N 0 3 231.340 0.664 20 0 BCADHN CN(CC(=O)N1CCCC1)CC1CCOCC1 ZINC000112696741 385844322 /nfs/dbraw/zinc/84/43/22/385844322.db2.gz YMPBJTRVLWDQMN-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CC(C)[C@H](C(=O)NCC1(C)COC1)N(C)C ZINC000112693626 385844498 /nfs/dbraw/zinc/84/44/98/385844498.db2.gz RVSBDLYCEIBPDS-SNVBAGLBSA-N 0 3 228.336 0.725 20 0 BCADHN CCCCN(C)CCNC(=O)NCC(C)(C)O ZINC000112464421 385845180 /nfs/dbraw/zinc/84/51/80/385845180.db2.gz MPQOPSRFTKVZFJ-UHFFFAOYSA-N 0 3 245.367 0.788 20 0 BCADHN CCCCN(C)CCNC(=O)N(CC)CCO ZINC000112464890 385845638 /nfs/dbraw/zinc/84/56/38/385845638.db2.gz QELPIYOZXXSTQG-UHFFFAOYSA-N 0 3 245.367 0.742 20 0 BCADHN CC(C)c1ccc([C@H](N)CNC(=O)CN)cc1 ZINC000262438404 385846117 /nfs/dbraw/zinc/84/61/17/385846117.db2.gz MPEWHDCKHQDTSE-GFCCVEGCSA-N 0 3 235.331 0.885 20 0 BCADHN CN(CCCn1ccnc1)CC(=O)N1CCC1 ZINC000271692143 385846238 /nfs/dbraw/zinc/84/62/38/385846238.db2.gz LYGDYDHFOIKPQY-UHFFFAOYSA-N 0 3 236.319 0.437 20 0 BCADHN Cc1ccc([O-])c(CN[C@@H]2CCC[NH2+]C2)n1 ZINC000414870447 385847063 /nfs/dbraw/zinc/84/70/63/385847063.db2.gz SQKBSEDQHCJTOO-SNVBAGLBSA-N 0 3 221.304 0.937 20 0 BCADHN COCC[C@@H](C)CNC(=O)NCCN(C)C ZINC000413660614 385851815 /nfs/dbraw/zinc/85/18/15/385851815.db2.gz SQAXJGZMLSHIHI-SNVBAGLBSA-N 0 3 231.340 0.520 20 0 BCADHN C[C@H](CNC(=O)c1ccsn1)N(C)C ZINC000294450589 385852319 /nfs/dbraw/zinc/85/23/19/385852319.db2.gz RNSDPOKILJDTQF-SSDOTTSWSA-N 0 3 213.306 0.823 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H](C)[C@@H]1CO)N(C)C ZINC000413667187 385856049 /nfs/dbraw/zinc/85/60/49/385856049.db2.gz HSROTZVRUJHLMZ-TUAOUCFPSA-N 0 3 242.363 0.946 20 0 BCADHN COCCn1cc(CN2CCC[C@H]2CO)cn1 ZINC000271122957 385790780 /nfs/dbraw/zinc/79/07/80/385790780.db2.gz FSCUOTUNMLCFHZ-LBPRGKRZSA-N 0 3 239.319 0.486 20 0 BCADHN Cc1cnc(CNC[C@@H](CO)C2CC2)n1C ZINC000309691387 385794190 /nfs/dbraw/zinc/79/41/90/385794190.db2.gz JNBJXJHEZWKSFR-NSHDSACASA-N 0 3 223.320 0.837 20 0 BCADHN COC(=O)C(C)(C)CCN[C@H]1CC(=O)N(C)C1 ZINC000354157335 385794260 /nfs/dbraw/zinc/79/42/60/385794260.db2.gz HJUBLHOMUMJKMK-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H](CO)C[C@@H]1C)N(C)C ZINC000413829204 385884715 /nfs/dbraw/zinc/88/47/15/385884715.db2.gz WBDXYIZUOYGARH-SDDRHHMPSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@](C)(O)CN1CCC[C@H](NC(C)=O)C1 ZINC000123413916 385887745 /nfs/dbraw/zinc/88/77/45/385887745.db2.gz FQUPYXJKMYLYBH-NWDGAFQWSA-N 0 3 228.336 0.748 20 0 BCADHN CC1(C)CNCCN1C(=O)CCCCC(N)=O ZINC000647841494 385889709 /nfs/dbraw/zinc/88/97/09/385889709.db2.gz YBQMIBGIFUNLJQ-UHFFFAOYSA-N 0 3 241.335 0.243 20 0 BCADHN Cn1cccc1CNC1(CO)CCOCC1 ZINC000217810045 385892005 /nfs/dbraw/zinc/89/20/05/385892005.db2.gz KODPTRQDOPHGLM-UHFFFAOYSA-N 0 3 224.304 0.656 20 0 BCADHN CC[C@@H](C(=O)N(CC)[C@H]1CCOC1)N(C)C ZINC000413821160 385893152 /nfs/dbraw/zinc/89/31/52/385893152.db2.gz IKVXJIRHRFKFIC-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H](NC[C@H](O)CN(C)C)c1ccncc1F ZINC000340479036 385895045 /nfs/dbraw/zinc/89/50/45/385895045.db2.gz UFZKWJMPINGOAT-ZJUUUORDSA-N 0 3 241.310 0.794 20 0 BCADHN CC[C@H](C(=O)N(C)[C@@H](CC)CO)N(C)C ZINC000413846723 385899439 /nfs/dbraw/zinc/89/94/39/385899439.db2.gz UDPKPIWBNRVWQT-VHSXEESVSA-N 0 3 216.325 0.556 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)c1nc(C)no1 ZINC000338120327 385900501 /nfs/dbraw/zinc/90/05/01/385900501.db2.gz MBCBDXRFHHXFHC-QMMMGPOBSA-N 0 3 240.307 0.897 20 0 BCADHN C[C@@H](CNC(=O)c1cnns1)N(C)C ZINC000338139186 385903181 /nfs/dbraw/zinc/90/31/81/385903181.db2.gz MHMHUEOVWLBNBT-LURJTMIESA-N 0 3 214.294 0.218 20 0 BCADHN CCN(C(=O)N[C@H]1CCN(CC)C1)C1COC1 ZINC000413860604 385903699 /nfs/dbraw/zinc/90/36/99/385903699.db2.gz OUYHVNISUGHTLI-JTQLQIEISA-N 0 3 241.335 0.511 20 0 BCADHN NC(=O)N[C@H]1CCN(CC[C@@H]2CCCO2)C1 ZINC000408272909 385907351 /nfs/dbraw/zinc/90/73/51/385907351.db2.gz KUZCPHCNMCIYIJ-UWVGGRQHSA-N 0 3 227.308 0.298 20 0 BCADHN CCC[C@@H](O)CN[C@H](C)c1ccc(=O)[nH]n1 ZINC000336741748 385907578 /nfs/dbraw/zinc/90/75/78/385907578.db2.gz RJGQYNDFLXDUQR-RKDXNWHRSA-N 0 3 225.292 0.994 20 0 BCADHN Cc1nc(C(=O)N2C[C@H](C)NC[C@H]2C)c[nH]1 ZINC000272515863 385908418 /nfs/dbraw/zinc/90/84/18/385908418.db2.gz HCKDIPZFALXMFV-JGVFFNPUSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1ncc(C(=O)N2C[C@H](C)NC[C@H]2C)[nH]1 ZINC000272515863 385908420 /nfs/dbraw/zinc/90/84/20/385908420.db2.gz HCKDIPZFALXMFV-JGVFFNPUSA-N 0 3 222.292 0.541 20 0 BCADHN CS[C@H](C)CNC(=O)[C@H](N)C(C)C ZINC000122337163 385910739 /nfs/dbraw/zinc/91/07/39/385910739.db2.gz RSEJTQFBDDNQEO-HTQZYQBOSA-N 0 3 204.339 0.837 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2cnn(C)c2)[C@@H](C)CN1 ZINC000272523866 385911293 /nfs/dbraw/zinc/91/12/93/385911293.db2.gz IHHXSOHPJGJBIE-ZJUUUORDSA-N 0 3 236.319 0.171 20 0 BCADHN CS[C@H](C)CNC(=O)C1(N)CCC1 ZINC000122357178 385912569 /nfs/dbraw/zinc/91/25/69/385912569.db2.gz MMSPTQDLCCPBDU-SSDOTTSWSA-N 0 3 202.323 0.736 20 0 BCADHN CCN(CCO)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000272577757 385915421 /nfs/dbraw/zinc/91/54/21/385915421.db2.gz RLTDXYGUEOMPKO-SNVBAGLBSA-N 0 3 243.303 0.537 20 0 BCADHN COCc1ncc(C(=O)NCCN(C)C)s1 ZINC000285318913 385915901 /nfs/dbraw/zinc/91/59/01/385915901.db2.gz ZNVFZWDMZXSLTF-UHFFFAOYSA-N 0 3 243.332 0.581 20 0 BCADHN C[C@@H]1CN(C(=O)COc2cccnc2)[C@@H](C)CN1 ZINC000272603414 385917010 /nfs/dbraw/zinc/91/70/10/385917010.db2.gz REUPLTYDSBCQJZ-MNOVXSKESA-N 0 3 249.314 0.669 20 0 BCADHN CN(C)CCN(C)Cc1cnc(N(C)C)nc1 ZINC000272607495 385917637 /nfs/dbraw/zinc/91/76/37/385917637.db2.gz QDUIVCMUKSFKJV-UHFFFAOYSA-N 0 3 237.351 0.536 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@](C)(O)C1CC1 ZINC000342064307 385918751 /nfs/dbraw/zinc/91/87/51/385918751.db2.gz OXRGMFOPKQAKAI-NSHDSACASA-N 0 3 214.309 0.167 20 0 BCADHN C[C@H](N)C(=O)Nc1cc(Cl)c(=O)n(C)c1 ZINC000122446785 385919196 /nfs/dbraw/zinc/91/91/96/385919196.db2.gz XFIDTRJFXXCINM-YFKPBYRVSA-N 0 3 229.667 0.324 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000122483921 385920744 /nfs/dbraw/zinc/92/07/44/385920744.db2.gz KAEUANDPLNFNAE-JLIMGVALSA-N 0 3 212.293 0.407 20 0 BCADHN CO[C@@H](C)CNC(=O)CN(C)C(C)C ZINC000189073017 385921727 /nfs/dbraw/zinc/92/17/27/385921727.db2.gz LMKXGZIOWMJEFT-VIFPVBQESA-N 0 3 202.298 0.478 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@H]3F)C[C@@H]21 ZINC000424882780 385922581 /nfs/dbraw/zinc/92/25/81/385922581.db2.gz ZDMFBVOTDIBLJI-DTHBNOIPSA-N 0 3 226.295 0.897 20 0 BCADHN C/C=C\C[C@@H](CO)NC(=O)C1CCN(C)CC1 ZINC000354183311 385922993 /nfs/dbraw/zinc/92/29/93/385922993.db2.gz ZHBAOOLPQYOWPF-MVZIDQBPSA-N 0 3 240.347 0.772 20 0 BCADHN COC[C@H](CCO)N[C@@H](C)c1ccnn1C ZINC000219273673 385923997 /nfs/dbraw/zinc/92/39/97/385923997.db2.gz VTPGTDDGNQRFAF-UWVGGRQHSA-N 0 3 227.308 0.468 20 0 BCADHN CO[C@]1(C)C[C@@H](NC(=O)[C@@H](C)N)C1(C)C ZINC000121683921 385860714 /nfs/dbraw/zinc/86/07/14/385860714.db2.gz GTYLLGPIQGQISS-SOCHQFKDSA-N 0 3 214.309 0.653 20 0 BCADHN Cc1cnc(C(=O)NCC2=CCN(C)CC2)cn1 ZINC000271954135 385862594 /nfs/dbraw/zinc/86/25/94/385862594.db2.gz YDRWNRSJUJVKGZ-UHFFFAOYSA-N 0 3 246.314 0.777 20 0 BCADHN Cc1cnn(C)c1CNCC1(C)COC1 ZINC000336741358 385862883 /nfs/dbraw/zinc/86/28/83/385862883.db2.gz VNPHOYAIZCXBOL-UHFFFAOYSA-N 0 3 209.293 0.855 20 0 BCADHN CCN(CCO)[C@@H]1Cc2ccccc2[C@H]1O ZINC000271998628 385865509 /nfs/dbraw/zinc/86/55/09/385865509.db2.gz RCRFURAETGUABB-CHWSQXEVSA-N 0 3 221.300 0.959 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000301758393 385865542 /nfs/dbraw/zinc/86/55/42/385865542.db2.gz HIDOQJRWYPOIQY-TZMCWYRMSA-N 0 3 246.310 0.513 20 0 BCADHN COC[C@H]1CCN(CC(=O)N(C)C2CC2)C1 ZINC000337984958 385868079 /nfs/dbraw/zinc/86/80/79/385868079.db2.gz YYJLPUGEUALMJB-JTQLQIEISA-N 0 3 226.320 0.576 20 0 BCADHN COC[C@@H](O)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000272007203 385868475 /nfs/dbraw/zinc/86/84/75/385868475.db2.gz ADFPRTZYZGSAFU-MNOVXSKESA-N 0 3 239.319 0.596 20 0 BCADHN Cc1cc(C(=O)NCCN2CCCC2)nn1C ZINC000340191562 385870325 /nfs/dbraw/zinc/87/03/25/385870325.db2.gz IUCAGNSBRXSNPF-UHFFFAOYSA-N 0 3 236.319 0.554 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H](C)[C@@H]1CCCCO1 ZINC000336726020 385870369 /nfs/dbraw/zinc/87/03/69/385870369.db2.gz BLQXHDPAXUBEIJ-MXWKQRLJSA-N 0 3 249.376 0.967 20 0 BCADHN CC(C)C(=O)NCCN[C@@H](C)c1cn[nH]c1 ZINC000285447643 385927989 /nfs/dbraw/zinc/92/79/89/385927989.db2.gz ZHWQOKONCSIGBT-VIFPVBQESA-N 0 3 224.308 0.833 20 0 BCADHN Cc1ccc([C@H](N)C(=O)N2CCN[C@@H](C)C2)cc1 ZINC000262669629 385872853 /nfs/dbraw/zinc/87/28/53/385872853.db2.gz RBFXCTDNZLFRRS-AAEUAGOBSA-N 0 3 247.342 0.815 20 0 BCADHN CS(=O)(=O)CCCCN1CCCC[C@@H]1CN ZINC000647827578 385876506 /nfs/dbraw/zinc/87/65/06/385876506.db2.gz KSXYYKMXMZZPIZ-LLVKDONJSA-N 0 3 248.392 0.624 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCSC1 ZINC000228557236 385878521 /nfs/dbraw/zinc/87/85/21/385878521.db2.gz DZMDQUSZVILVJC-QMMMGPOBSA-N 0 3 212.322 0.658 20 0 BCADHN Cc1nc(C(=O)NC[C@@H]2CCN(C)C2)no1 ZINC000123396458 385883220 /nfs/dbraw/zinc/88/32/20/385883220.db2.gz RSTURSGGJMHGPR-QMMMGPOBSA-N 0 3 224.264 0.060 20 0 BCADHN CO[C@@H](CN[C@@H](C(N)=O)C(C)(C)C)C1CC1 ZINC000425412800 385980195 /nfs/dbraw/zinc/98/01/95/385980195.db2.gz FZKFHWAWWKZVLK-UWVGGRQHSA-N 0 3 228.336 0.901 20 0 BCADHN CO[C@H](C)CN(C)C(=O)NCCN(C)C1CC1 ZINC000345083096 385989594 /nfs/dbraw/zinc/98/95/94/385989594.db2.gz UJPYBKRGNAKRSW-SNVBAGLBSA-N 0 3 243.351 0.757 20 0 BCADHN CCC(O)(CC)CN[C@H](C)c1ccc(=O)[nH]n1 ZINC000285511770 385934362 /nfs/dbraw/zinc/93/43/62/385934362.db2.gz AQMMXTNRVVETCI-SECBINFHSA-N 0 3 239.319 0.972 20 0 BCADHN CO[C@H](C)CN(C)CCc1cnn(C)c1 ZINC000285504013 385934658 /nfs/dbraw/zinc/93/46/58/385934658.db2.gz DAUDFQKYSWGWNA-SNVBAGLBSA-N 0 3 211.309 0.929 20 0 BCADHN C[C@@H](CNC(=O)c1ccc2nc[nH]c2n1)N(C)C ZINC000273368040 385993229 /nfs/dbraw/zinc/99/32/29/385993229.db2.gz KMEYMEKYZFECCO-QMMMGPOBSA-N 0 3 247.302 0.638 20 0 BCADHN C[C@@H](O)CCN1CCN(CC[C@@H](C)O)[C@@H](C)C1 ZINC000425416551 385993233 /nfs/dbraw/zinc/99/32/33/385993233.db2.gz LKRISOJDCSOGSL-YNEHKIRRSA-N 0 3 244.379 0.534 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)[C@H]2CCCS2)C1 ZINC000335047692 385943469 /nfs/dbraw/zinc/94/34/69/385943469.db2.gz MDGBRUQQAMMOLM-MWLCHTKSSA-N 0 3 244.360 0.065 20 0 BCADHN Cc1cnn(CCN(C[C@@H](C)O)[C@H](C)CO)c1 ZINC000342170105 385949819 /nfs/dbraw/zinc/94/98/19/385949819.db2.gz PQLKJJYMEYFIEK-VXGBXAGGSA-N 0 3 241.335 0.255 20 0 BCADHN N[C@H](C(=O)N1CCN2CCC1CC2)C1CCC1 ZINC000335054350 385954818 /nfs/dbraw/zinc/95/48/18/385954818.db2.gz WTHBZGMYWXHZDW-LBPRGKRZSA-N 0 3 237.347 0.420 20 0 BCADHN CCN(CC)CC(=O)NCc1cc(C)nn1C ZINC000285665142 385954960 /nfs/dbraw/zinc/95/49/60/385954960.db2.gz KIGGWZKONHPVBM-UHFFFAOYSA-N 0 3 238.335 0.687 20 0 BCADHN CO[C@@H](C)CCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452971325 385956455 /nfs/dbraw/zinc/95/64/55/385956455.db2.gz GXJFIRUOJBJWQK-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H](CN)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000285703491 385957293 /nfs/dbraw/zinc/95/72/93/385957293.db2.gz QNAPMANTXSCNIW-ZKANADHPSA-N 0 3 240.328 0.957 20 0 BCADHN C[C@H]1[C@@H](NC(=O)NC2CC2)CCCN1C ZINC000342212218 385960767 /nfs/dbraw/zinc/96/07/67/385960767.db2.gz NGHLXODQEGEPPH-WPRPVWTQSA-N 0 3 211.309 0.931 20 0 BCADHN C[C@@H]1[C@H](NC(=O)NC2CC2)CCCN1C ZINC000342212184 385960806 /nfs/dbraw/zinc/96/08/06/385960806.db2.gz NGHLXODQEGEPPH-PSASIEDQSA-N 0 3 211.309 0.931 20 0 BCADHN Cc1nnc(NC(=O)/C=C/CN(C)C)n1C1CC1 ZINC000285754134 385961178 /nfs/dbraw/zinc/96/11/78/385961178.db2.gz JOGILSFDBMQTEV-SNAWJCMRSA-N 0 3 249.318 0.978 20 0 BCADHN CCCN(CC(=O)NC)C[C@@H](OC)C1CC1 ZINC000425403130 385966936 /nfs/dbraw/zinc/96/69/36/385966936.db2.gz HTHUOCLQDQLOTA-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1ncc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)[nH]1 ZINC000335016536 385974185 /nfs/dbraw/zinc/97/41/85/385974185.db2.gz BIUPQGWAEVTHAC-DTWKUNHWSA-N 0 3 236.319 0.883 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCCN1C ZINC000338410905 385997134 /nfs/dbraw/zinc/99/71/34/385997134.db2.gz WOQCILZEOUVKMA-NXEZZACHSA-N 0 3 249.314 1.000 20 0 BCADHN CC(C)(F)CNC(=O)[C@H](N)C1CCC1 ZINC000638813017 385997784 /nfs/dbraw/zinc/99/77/84/385997784.db2.gz QRSPTFSCUVPKEF-MRVPVSSYSA-N 0 3 202.273 0.978 20 0 BCADHN CC[C@H](N)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000309246344 385997865 /nfs/dbraw/zinc/99/78/65/385997865.db2.gz NQBDKKNXNAOSKX-QWRGUYRKSA-N 0 3 225.336 0.276 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCCN(C(C)C)C1 ZINC000365280338 385998571 /nfs/dbraw/zinc/99/85/71/385998571.db2.gz RDZHIYGZKQQVQX-SECBINFHSA-N 0 3 220.338 0.408 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000336721882 386000421 /nfs/dbraw/zinc/00/04/21/386000421.db2.gz SOLDCGTVXPAENW-VXNVDRBHSA-N 0 3 247.289 0.322 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCCO1)N(C)C1CC1 ZINC000068220301 386007474 /nfs/dbraw/zinc/00/74/74/386007474.db2.gz POEBSAWHFKIGPY-ONGXEEELSA-N 0 3 226.320 0.764 20 0 BCADHN CCN(CC)CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000073933164 386008041 /nfs/dbraw/zinc/00/80/41/386008041.db2.gz OALSEFCTSGZXKJ-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CC/C=C/CCN1CCC(O)(C(N)=O)CC1 ZINC000295297498 386008033 /nfs/dbraw/zinc/00/80/33/386008033.db2.gz JUJREKVZBXXZMS-ONEGZZNKSA-N 0 3 226.320 0.655 20 0 BCADHN Cn1nccc1CN[C@H]1CCC(=O)NC1(C)C ZINC000335067399 386009586 /nfs/dbraw/zinc/00/95/86/386009586.db2.gz DAODSKGFPHXKNC-JTQLQIEISA-N 0 3 236.319 0.567 20 0 BCADHN CCN(CCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC000338454820 386009642 /nfs/dbraw/zinc/00/96/42/386009642.db2.gz JCSCEABDYUQRJV-GFCCVEGCSA-N 0 3 239.363 0.681 20 0 BCADHN Cc1ccc([O-])c(CN[C@H]2CC[NH2+]C2)n1 ZINC000414881967 386009880 /nfs/dbraw/zinc/00/98/80/386009880.db2.gz LSASKSHSTKWGKG-VIFPVBQESA-N 0 3 207.277 0.547 20 0 BCADHN C[C@@H]1CN(CC(C)(C)O)CCN1CCCO ZINC000189465150 386010247 /nfs/dbraw/zinc/01/02/47/386010247.db2.gz MWKBXZJLEJFVPP-LLVKDONJSA-N 0 3 230.352 0.146 20 0 BCADHN CCN(CCc1cn[nH]n1)Cc1cnn(C)c1 ZINC000647968430 386011459 /nfs/dbraw/zinc/01/14/59/386011459.db2.gz DHHOAZOZUAKLJH-UHFFFAOYSA-N 0 3 234.307 0.603 20 0 BCADHN CCN(CCc1c[nH]nn1)Cc1cnn(C)c1 ZINC000647968430 386011464 /nfs/dbraw/zinc/01/14/64/386011464.db2.gz DHHOAZOZUAKLJH-UHFFFAOYSA-N 0 3 234.307 0.603 20 0 BCADHN CNC(=O)[C@@H](N[C@H](C)Cn1cccn1)C(C)C ZINC000345193507 386056181 /nfs/dbraw/zinc/05/61/81/386056181.db2.gz VHMKVFQMCCBHDY-MNOVXSKESA-N 0 3 238.335 0.632 20 0 BCADHN CC(C)N(C[C@@H](C)O)C[C@@H]1CCS(=O)(=O)C1 ZINC000408399346 386012260 /nfs/dbraw/zinc/01/22/60/386012260.db2.gz GVWHMPDOTOXHDQ-MNOVXSKESA-N 0 3 249.376 0.512 20 0 BCADHN COC[C@@H](NC[C@@H](C)S(C)(=O)=O)C1CC1 ZINC000336752343 386013324 /nfs/dbraw/zinc/01/33/24/386013324.db2.gz GFVFZAIRZNTWIU-PSASIEDQSA-N 0 3 235.349 0.434 20 0 BCADHN COC[C@@H](O)CNCc1ccc2c(c1)ncn2C ZINC000338481192 386016086 /nfs/dbraw/zinc/01/60/86/386016086.db2.gz SWZRDRGCRANSRF-NSHDSACASA-N 0 3 249.314 0.670 20 0 BCADHN c1coc(-c2noc(CCOC3CNC3)n2)c1 ZINC000414634770 386017994 /nfs/dbraw/zinc/01/79/94/386017994.db2.gz DJFVBWKJLVMLLM-UHFFFAOYSA-N 0 3 235.243 0.861 20 0 BCADHN CC[C@@H](C(=O)NCC1(CCO)CC1)N(C)C ZINC000188012040 386019300 /nfs/dbraw/zinc/01/93/00/386019300.db2.gz GSUBVKOQKBNYHI-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@](C)(C(N)=O)C1 ZINC000331813056 386022231 /nfs/dbraw/zinc/02/22/31/386022231.db2.gz BKKODVYNYIVRCM-PELKAZGASA-N 0 3 239.319 0.901 20 0 BCADHN COCC[C@](C)(O)CNCc1snnc1C ZINC000309725617 386022870 /nfs/dbraw/zinc/02/28/70/386022870.db2.gz CZLCBJIICTUPSE-JTQLQIEISA-N 0 3 245.348 0.724 20 0 BCADHN CO[C@@H](C)CN(C)C(=O)NC[C@H]1CCCN1C ZINC000345119516 386023572 /nfs/dbraw/zinc/02/35/72/386023572.db2.gz RTMWAPGXFHRHTD-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@]1(CNC(=O)[C@@H]2C[C@@H]2N)CCCS1 ZINC000331814353 386023788 /nfs/dbraw/zinc/02/37/88/386023788.db2.gz BLSAYTDIFMUHFV-KHQFGBGNSA-N 0 3 214.334 0.736 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@H](C)[C@H]1CCCO1 ZINC000414192519 386030655 /nfs/dbraw/zinc/03/06/55/386030655.db2.gz VUUUSCAVAIOLEH-LMLFDSFASA-N 0 3 215.293 0.557 20 0 BCADHN CCOc1cc(C(=O)N(C)CCN(C)C)on1 ZINC000295435333 386031637 /nfs/dbraw/zinc/03/16/37/386031637.db2.gz WVNBQIDPXAYPTN-UHFFFAOYSA-N 0 3 241.291 0.707 20 0 BCADHN CO[C@H](CN(CC(N)=O)C(C)(C)C)C1CC1 ZINC000425428903 386032038 /nfs/dbraw/zinc/03/20/38/386032038.db2.gz XIPYZIXMKZIJEF-SNVBAGLBSA-N 0 3 228.336 0.997 20 0 BCADHN CCCN(C)CC(=O)NCc1ncoc1C ZINC000345128706 386033414 /nfs/dbraw/zinc/03/34/14/386033414.db2.gz DBMMDWLWDKBAKA-UHFFFAOYSA-N 0 3 225.292 0.941 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H](CO)Cc1ccccc1 ZINC000340229264 386036758 /nfs/dbraw/zinc/03/67/58/386036758.db2.gz CURCGDLJQGQIOI-ZYHUDNBSSA-N 0 3 236.315 0.301 20 0 BCADHN COC[C@H](NC[C@@H]1CN(C)C(=O)O1)C1CC1 ZINC000393910419 386041322 /nfs/dbraw/zinc/04/13/22/386041322.db2.gz SFZOQHPSPDZCTP-ZJUUUORDSA-N 0 3 228.292 0.452 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cnn(C)c1 ZINC000334437157 386041872 /nfs/dbraw/zinc/04/18/72/386041872.db2.gz QWQXEPUOWNZXRQ-WDEREUQCSA-N 0 3 222.336 0.945 20 0 BCADHN C[C@@H]1CN([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC000425422806 386044268 /nfs/dbraw/zinc/04/42/68/386044268.db2.gz PTYVSJSYZTXSTQ-OUAUKWLOSA-N 0 3 240.347 0.698 20 0 BCADHN CC(=O)NCC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000124401689 386045023 /nfs/dbraw/zinc/04/50/23/386045023.db2.gz VZXMARWWYPCNLD-MWLCHTKSSA-N 0 3 241.335 0.064 20 0 BCADHN CN(CCN(C)Cc1ccccc1)CC(N)=O ZINC000295528481 386046211 /nfs/dbraw/zinc/04/62/11/386046211.db2.gz NCJNJRWQPJFDLN-UHFFFAOYSA-N 0 3 235.331 0.536 20 0 BCADHN CO[C@]1(CNCc2n[nH]cc2C)CCOC1 ZINC000336771558 386050175 /nfs/dbraw/zinc/05/01/75/386050175.db2.gz UQUDWRIZIFYJBO-NSHDSACASA-N 0 3 225.292 0.613 20 0 BCADHN CC(C)[C@H](C(=O)NCCc1ncc[nH]1)N(C)C ZINC000345186608 386053624 /nfs/dbraw/zinc/05/36/24/386053624.db2.gz CYDYOYKGVMTHRS-LLVKDONJSA-N 0 3 238.335 0.655 20 0 BCADHN CN(CCNc1ccc2nncn2n1)C1CC1 ZINC000295587496 386055487 /nfs/dbraw/zinc/05/54/87/386055487.db2.gz SMWSZQFYZCCIDU-UHFFFAOYSA-N 0 3 232.291 0.630 20 0 BCADHN C[C@H](CO)NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345099349 385995589 /nfs/dbraw/zinc/99/55/89/385995589.db2.gz PBILHICHDPYDHU-BBBLOLIVSA-N 0 3 229.324 0.149 20 0 BCADHN CSC[C@@H](CCO)NCc1cncn1C ZINC000124150441 385996786 /nfs/dbraw/zinc/99/67/86/385996786.db2.gz XJUNTWDSAKEORP-SECBINFHSA-N 0 3 229.349 0.624 20 0 BCADHN CCN(C)CCNC(=O)NC[C@H]1C[C@H]1C ZINC000338413600 385997028 /nfs/dbraw/zinc/99/70/28/385997028.db2.gz QCAVPIXSIWTYKN-NXEZZACHSA-N 0 3 213.325 0.893 20 0 BCADHN COCc1cccc(CN[C@@H](CO)COC)c1 ZINC000234794752 386100733 /nfs/dbraw/zinc/10/07/33/386100733.db2.gz AZKIAINCSPROMI-ZDUSSCGKSA-N 0 3 239.315 0.930 20 0 BCADHN CO[C@@H](CN(C)[C@@H]1COC[C@H]1O)C1CC1 ZINC000425460446 386102890 /nfs/dbraw/zinc/10/28/90/386102890.db2.gz RVLJDPWHDFOUNP-MXWKQRLJSA-N 0 3 215.293 0.103 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H](O)c1ccccc1 ZINC000287219294 386102929 /nfs/dbraw/zinc/10/29/29/386102929.db2.gz OLQDDXBHCIDOGD-JQWIXIFHSA-N 0 3 236.315 0.786 20 0 BCADHN CC(C)[C@H](O)CC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345315499 386104209 /nfs/dbraw/zinc/10/42/09/386104209.db2.gz IZFKVRRUMVBFEA-QJPTWQEYSA-N 0 3 242.363 0.992 20 0 BCADHN Cc1cnc(C(=O)N[C@@H](C)CN(C)C)cn1 ZINC000287224772 386105028 /nfs/dbraw/zinc/10/50/28/386105028.db2.gz OWLVBEPOQVLSAD-VIFPVBQESA-N 0 3 222.292 0.465 20 0 BCADHN CO[C@H](C)CNCc1ccc(C(N)=O)cc1 ZINC000223863567 386107675 /nfs/dbraw/zinc/10/76/75/386107675.db2.gz QHRBINWXJADEBA-SECBINFHSA-N 0 3 222.288 0.910 20 0 BCADHN CCN(CC)CC(=O)N1CCOCC12CC2 ZINC000338694875 386107687 /nfs/dbraw/zinc/10/76/87/386107687.db2.gz SLZWQEXRIMWMNG-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN C[C@H]1[C@H](NCc2ccnn2C)CCCN1C ZINC000336729319 386108557 /nfs/dbraw/zinc/10/85/57/386108557.db2.gz CZZOTMQEKRTWRN-CMPLNLGQSA-N 0 3 222.336 0.992 20 0 BCADHN CO[C@@H](C)CNCc1ccc(C(N)=O)cc1 ZINC000223863517 386108829 /nfs/dbraw/zinc/10/88/29/386108829.db2.gz QHRBINWXJADEBA-VIFPVBQESA-N 0 3 222.288 0.910 20 0 BCADHN COCc1ccc(CN[C@H](CO)COC)cc1 ZINC000234869808 386110303 /nfs/dbraw/zinc/11/03/03/386110303.db2.gz GBDHJWGSCAWPFU-CYBMUJFWSA-N 0 3 239.315 0.930 20 0 BCADHN C[C@@H](C[S@@](C)=O)N(C)C(=O)/C=C/CN(C)C ZINC000274497835 386111816 /nfs/dbraw/zinc/11/18/16/386111816.db2.gz LIBMVGCKDJPMPO-VJMMHFBVSA-N 0 3 246.376 0.330 20 0 BCADHN COC[C@H](C)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000189894354 386113931 /nfs/dbraw/zinc/11/39/31/386113931.db2.gz MVRJFEXZYSEMOH-RYUDHWBXSA-N 0 3 244.379 0.798 20 0 BCADHN CC(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000076280663 386117486 /nfs/dbraw/zinc/11/74/86/386117486.db2.gz TWSMRXUKHHMEAU-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN Cc1cc(C)n(CCCNC(=O)[C@@H](C)N)n1 ZINC000224008494 386118426 /nfs/dbraw/zinc/11/84/26/386118426.db2.gz PQXZIUBPTCVQFH-SNVBAGLBSA-N 0 3 224.308 0.353 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@H]1CCCOC1 ZINC000038046083 386120444 /nfs/dbraw/zinc/12/04/44/386120444.db2.gz QQGHXOMAPQMIMR-VHSXEESVSA-N 0 3 214.309 0.513 20 0 BCADHN CCc1ccccc1NC(=O)C(=O)N[C@@H](C)CN ZINC000415654445 386121056 /nfs/dbraw/zinc/12/10/56/386121056.db2.gz MVCAWDFFVDSARW-VIFPVBQESA-N 0 3 249.314 0.651 20 0 BCADHN CCc1ccc(NC(=O)C(=O)N[C@@H](C)CN)cc1 ZINC000415647672 386121608 /nfs/dbraw/zinc/12/16/08/386121608.db2.gz FSNVRQICWDGQBU-VIFPVBQESA-N 0 3 249.314 0.651 20 0 BCADHN COCCO[C@H]1CCN([C@H](C)COC)C1 ZINC000189669858 386058944 /nfs/dbraw/zinc/05/89/44/386058944.db2.gz NSVCLYDJRNYMBS-MNOVXSKESA-N 0 3 217.309 0.759 20 0 BCADHN CN(C)CC1(NCc2cc[nH]n2)CCC1 ZINC000336772147 386060045 /nfs/dbraw/zinc/06/00/45/386060045.db2.gz XMLFXZSLRDOPHR-UHFFFAOYSA-N 0 3 208.309 0.984 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cn(C)nn2)CCN1C ZINC000345210238 386060487 /nfs/dbraw/zinc/06/04/87/386060487.db2.gz YCUCTDGADDNNAC-IUCAKERBSA-N 0 3 237.307 0.028 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cn(C)nn2)CCN1C ZINC000345210236 386061161 /nfs/dbraw/zinc/06/11/61/386061161.db2.gz YCUCTDGADDNNAC-DTWKUNHWSA-N 0 3 237.307 0.028 20 0 BCADHN CNC(=O)N[C@H]1CCN(C[C@@H](OC)C2CC2)C1 ZINC000425437597 386061986 /nfs/dbraw/zinc/06/19/86/386061986.db2.gz YXNLZXBAJSIGTN-WDEREUQCSA-N 0 3 241.335 0.415 20 0 BCADHN CO[C@@H](CN1C[C@@H](OC)[C@@H](OC)C1)C1CC1 ZINC000425437829 386062986 /nfs/dbraw/zinc/06/29/86/386062986.db2.gz BYYUVHYBHUZUAF-SDDRHHMPSA-N 0 3 229.320 0.757 20 0 BCADHN C[C@H](O)CCN1CCCN(C(=O)C2CC2)CC1 ZINC000425437357 386063090 /nfs/dbraw/zinc/06/30/90/386063090.db2.gz AZUSHNAIJGMOAK-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H](O)CCN1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000425465749 386063153 /nfs/dbraw/zinc/06/31/53/386063153.db2.gz AIOSXUXPIOKIBC-SRVKXCTJSA-N 0 3 229.320 0.637 20 0 BCADHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H](C)O ZINC000345214507 386063404 /nfs/dbraw/zinc/06/34/04/386063404.db2.gz BZXJDRKPLLHYBD-ZJUUUORDSA-N 0 3 216.325 0.460 20 0 BCADHN CNC(=O)N[C@@H]1CCN(C[C@@H](OC)C2CC2)C1 ZINC000425437561 386063832 /nfs/dbraw/zinc/06/38/32/386063832.db2.gz YXNLZXBAJSIGTN-GHMZBOCLSA-N 0 3 241.335 0.415 20 0 BCADHN CC(C)c1nn(C)cc1NC(=O)[C@@H]1C[C@@H]1N ZINC000335072640 386063945 /nfs/dbraw/zinc/06/39/45/386063945.db2.gz FUUMPZUFVDEMPU-SFYZADRCSA-N 0 3 222.292 0.829 20 0 BCADHN CO[C@@H](CN1CCN2CCOC[C@@H]2C1)C1CC1 ZINC000425431076 386069125 /nfs/dbraw/zinc/06/91/25/386069125.db2.gz HBRKRAXKARHOHE-STQMWFEESA-N 0 3 240.347 0.428 20 0 BCADHN C[C@@H](O)CCN1CC[C@H](NC(=O)NC2CC2)C1 ZINC000425431714 386069302 /nfs/dbraw/zinc/06/93/02/386069302.db2.gz IRVLNPLAEBEIBP-KOLCDFICSA-N 0 3 241.335 0.293 20 0 BCADHN Cc1cccc(NC(=O)C(=O)NC(C)(C)CN)c1 ZINC000415387848 386070853 /nfs/dbraw/zinc/07/08/53/386070853.db2.gz YTKOOLAROBPCGY-UHFFFAOYSA-N 0 3 249.314 0.787 20 0 BCADHN Cc1noc(C)c1CNC(=O)[C@@H]1C[C@@H]1N ZINC000335058318 386074846 /nfs/dbraw/zinc/07/48/46/386074846.db2.gz RNSFGENUALLFBY-APPZFPTMSA-N 0 3 209.249 0.255 20 0 BCADHN NCCNC(=O)Nc1cccc2c1OCCC2=O ZINC000415444287 386075921 /nfs/dbraw/zinc/07/59/21/386075921.db2.gz OLFXKXDWWKATMT-UHFFFAOYSA-N 0 3 249.270 0.732 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C=Cc1c[nH]cn1 ZINC000286857569 386076804 /nfs/dbraw/zinc/07/68/04/386076804.db2.gz BSDVZGJGCFKPRP-MOVJSRMASA-N 0 3 222.292 0.489 20 0 BCADHN CCN1CCCN(C[C@@H](OC)C2CC2)CC1=O ZINC000425444063 386077162 /nfs/dbraw/zinc/07/71/62/386077162.db2.gz LOLARCZRBIUVTP-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1csnn1 ZINC000286853073 386077256 /nfs/dbraw/zinc/07/72/56/386077256.db2.gz BHOARTRRKOTPKA-LURJTMIESA-N 0 3 214.294 0.218 20 0 BCADHN O=C1NCCN1CCN1CC[C@]2(CCOC2)C1 ZINC000334445235 386078487 /nfs/dbraw/zinc/07/84/87/386078487.db2.gz IWUQWQPDJGDYNP-LBPRGKRZSA-N 0 3 239.319 0.124 20 0 BCADHN C[C@H](O)CCN(CCO)[C@@H]1CCO[C@@H]1C ZINC000425445086 386079164 /nfs/dbraw/zinc/07/91/64/386079164.db2.gz OKASPQUKNPZLMQ-HBNTYKKESA-N 0 3 217.309 0.229 20 0 BCADHN CCCN(CC(N)=O)C[C@H](OC)C1CC1 ZINC000425446182 386079528 /nfs/dbraw/zinc/07/95/28/386079528.db2.gz NNJWMWZGBMXSMR-JTQLQIEISA-N 0 3 214.309 0.609 20 0 BCADHN C[C@H](O)CCN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000425447822 386080212 /nfs/dbraw/zinc/08/02/12/386080212.db2.gz QPLIZDNFSVKXBW-RYUDHWBXSA-N 0 3 244.379 0.534 20 0 BCADHN Cc1cc(CC(=O)N[C@@H](C)CN(C)C)n[nH]1 ZINC000286889850 386081154 /nfs/dbraw/zinc/08/11/54/386081154.db2.gz GDYULWIVPJZRAT-VIFPVBQESA-N 0 3 224.308 0.327 20 0 BCADHN Cc1cc(CC(=O)N[C@@H](C)CN(C)C)[nH]n1 ZINC000286889850 386081158 /nfs/dbraw/zinc/08/11/58/386081158.db2.gz GDYULWIVPJZRAT-VIFPVBQESA-N 0 3 224.308 0.327 20 0 BCADHN CC(=O)N1CCN(C[C@H]2CCCOC2)CC1 ZINC000334446367 386081355 /nfs/dbraw/zinc/08/13/55/386081355.db2.gz KKODYRNYXNSMJQ-GFCCVEGCSA-N 0 3 226.320 0.577 20 0 BCADHN COCCO[C@H]1CCN(CCCO)C1 ZINC000189725503 386081562 /nfs/dbraw/zinc/08/15/62/386081562.db2.gz NSCAPPWKOPJBGQ-JTQLQIEISA-N 0 3 203.282 0.106 20 0 BCADHN CC[C@@H](C)CC(=O)NC[C@](C)(O)CN(C)C ZINC000189721355 386083688 /nfs/dbraw/zinc/08/36/88/386083688.db2.gz ZIKVAGUYKOVBPJ-PWSUYJOCSA-N 0 3 230.352 0.851 20 0 BCADHN NC(C(=O)NC[C@@H]1CCCCO1)C(F)(F)F ZINC000353180204 386084414 /nfs/dbraw/zinc/08/44/14/386084414.db2.gz LKZBJCMCXXLIPN-BQBZGAKWSA-N 0 3 240.225 0.561 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cccn1C ZINC000286960610 386085709 /nfs/dbraw/zinc/08/57/09/386085709.db2.gz LEVFHZTZSPHLGJ-VIFPVBQESA-N 0 3 209.293 0.705 20 0 BCADHN CSCCCN(C)[C@@H]1COC[C@@H]1O ZINC000336642793 386087695 /nfs/dbraw/zinc/08/76/95/386087695.db2.gz 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241.335 0.064 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Cc1cnn(C)c1 ZINC000287191494 386099594 /nfs/dbraw/zinc/09/95/94/386099594.db2.gz MHECZNUMZQQMNQ-VIFPVBQESA-N 0 3 224.308 0.029 20 0 BCADHN Cn1ncnc1N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000647876155 386145812 /nfs/dbraw/zinc/14/58/12/386145812.db2.gz NPRFBICGYBFIKP-ZJUUUORDSA-N 0 3 221.308 0.346 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Nc1cnn(C)c1 ZINC000287780115 386149287 /nfs/dbraw/zinc/14/92/87/386149287.db2.gz SAFIBOSYEHLQFM-QMMMGPOBSA-N 0 3 225.296 0.492 20 0 BCADHN CN(C)CCNC(=O)N[C@H]1CSC1(C)C ZINC000338812428 386149789 /nfs/dbraw/zinc/14/97/89/386149789.db2.gz UDPCPRVBBAASJV-QMMMGPOBSA-N 0 3 231.365 0.741 20 0 BCADHN CCN(C)CCNC(=O)CCCCC(N)=O ZINC000338816909 386150986 /nfs/dbraw/zinc/15/09/86/386150986.db2.gz SNQXGIKLDOQSMH-UHFFFAOYSA-N 0 3 229.324 0.100 20 0 BCADHN C[C@@H](N[C@@H]1CCCNC(=O)C1)c1cnn(C)c1 ZINC000310169813 386151096 /nfs/dbraw/zinc/15/10/96/386151096.db2.gz OVCXEQJEYLBWPG-MWLCHTKSSA-N 0 3 236.319 0.739 20 0 BCADHN CO[C@@H](C)CNC(=O)NC1CCN(C)CC1 ZINC000190155610 386157567 /nfs/dbraw/zinc/15/75/67/386157567.db2.gz DBNIYVPGUGAFJQ-VIFPVBQESA-N 0 3 229.324 0.415 20 0 BCADHN C[C@H](CN(C)C)NC(=O)C[C@H]1CCOC1 ZINC000346171477 386158368 /nfs/dbraw/zinc/15/83/68/386158368.db2.gz WSNIRWDSAYASIF-NXEZZACHSA-N 0 3 214.309 0.479 20 0 BCADHN O=C(c1cnc[nH]1)N1CCN(CC2CC2)CC1 ZINC000263640718 386161095 /nfs/dbraw/zinc/16/10/95/386161095.db2.gz APRXMTDPLMHYDN-UHFFFAOYSA-N 0 3 234.303 0.578 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1ccc(C(N)=O)o1 ZINC000346179193 386161305 /nfs/dbraw/zinc/16/13/05/386161305.db2.gz GZLDDPUQYRRTOW-SSDOTTSWSA-N 0 3 239.275 0.058 20 0 BCADHN CN(C)C[C@H]1CN(CC(N)=O)c2ccccc2O1 ZINC000366174912 386161727 /nfs/dbraw/zinc/16/17/27/386161727.db2.gz RNJFDPATYQBHND-JTQLQIEISA-N 0 3 249.314 0.301 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CCCOC1 ZINC000346179188 386161805 /nfs/dbraw/zinc/16/18/05/386161805.db2.gz GXUWHTWZWOOIRO-NXEZZACHSA-N 0 3 214.309 0.479 20 0 BCADHN Cc1c[nH]nc1CNCC1(CO)CCC1 ZINC000336722499 386161942 /nfs/dbraw/zinc/16/19/42/386161942.db2.gz FDTZGPRWPXSMRI-UHFFFAOYSA-N 0 3 209.293 0.970 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1cccc2ncnn21 ZINC000346134123 386162699 /nfs/dbraw/zinc/16/26/99/386162699.db2.gz BSQFUKSTSLSOMN-SECBINFHSA-N 0 3 247.302 0.409 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)CN(C)C)N(C)C ZINC000346134270 386163872 /nfs/dbraw/zinc/16/38/72/386163872.db2.gz BZYRBRXOTBXKEW-ZJUUUORDSA-N 0 3 215.341 0.393 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CCCOCC1 ZINC000346141261 386164842 /nfs/dbraw/zinc/16/48/42/386164842.db2.gz QPXSGWOZYAMSML-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H](N)c1cn(CCn2cc(C)cn2)nn1 ZINC000310213472 386164799 /nfs/dbraw/zinc/16/47/99/386164799.db2.gz HDAUZFQWZRIULC-JTQLQIEISA-N 0 3 234.307 0.893 20 0 BCADHN C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1 ZINC000346138222 386165534 /nfs/dbraw/zinc/16/55/34/386165534.db2.gz GFJYQXDXONFLBF-SNVBAGLBSA-N 0 3 249.314 0.691 20 0 BCADHN CO[C@@H](C(=O)N[C@H](C)CN(C)C)C(C)C ZINC000346135896 386166259 /nfs/dbraw/zinc/16/62/59/386166259.db2.gz KYEZVKVCEMYSEF-NXEZZACHSA-N 0 3 216.325 0.724 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)CC2CC2)[C@@H]1CO ZINC000190368234 386166932 /nfs/dbraw/zinc/16/69/32/386166932.db2.gz OWZIOGYQGQWGBJ-ZYHUDNBSSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@H]1OCC[C@@H]1NCC(=O)NCc1ccco1 ZINC000346155585 386167472 /nfs/dbraw/zinc/16/74/72/386167472.db2.gz GOFBEWJHXYEDSZ-KOLCDFICSA-N 0 3 238.287 0.663 20 0 BCADHN C([C@@H]1CCCOC1)N1CCO[C@]2(CCOC2)C1 ZINC000346153734 386168105 /nfs/dbraw/zinc/16/81/05/386168105.db2.gz RCUGFLMSGFJNMH-QWHCGFSZSA-N 0 3 241.331 0.904 20 0 BCADHN O=C1CCN(Cc2cccc3c2NCC3)CCN1 ZINC000130551473 386168267 /nfs/dbraw/zinc/16/82/67/386168267.db2.gz DLTZGDKCQPWWQD-UHFFFAOYSA-N 0 3 245.326 0.977 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CO[C@H](C)C1 ZINC000346145271 386168407 /nfs/dbraw/zinc/16/84/07/386168407.db2.gz UXGWOISYVHMIEL-BBBLOLIVSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCCNc1ccccn1 ZINC000296374828 386168669 /nfs/dbraw/zinc/16/86/69/386168669.db2.gz KETPOKRANJRPCA-JTQLQIEISA-N 0 3 248.330 0.750 20 0 BCADHN COCCNCCNCc1cnn(C(C)C)c1 ZINC000414894105 386168682 /nfs/dbraw/zinc/16/86/82/386168682.db2.gz ZIIFJRIVJDXOBW-UHFFFAOYSA-N 0 3 240.351 0.790 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CC[C@H]1CCOC1 ZINC000346165848 386169903 /nfs/dbraw/zinc/16/99/03/386169903.db2.gz RHYLDWLUGIVWFW-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CN1C[C@@H](NCc2ccc(CO)cc2)CC1=O ZINC000310291799 386170257 /nfs/dbraw/zinc/17/02/57/386170257.db2.gz RSFNSLYOQBCHSC-LBPRGKRZSA-N 0 3 234.299 0.499 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCC1=CCCOC1 ZINC000288137569 386170413 /nfs/dbraw/zinc/17/04/13/386170413.db2.gz YAQROZQYHBGVJT-JTQLQIEISA-N 0 3 241.335 0.582 20 0 BCADHN CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000346160983 386171612 /nfs/dbraw/zinc/17/16/12/386171612.db2.gz FHXXBELARQRVRK-IUCAKERBSA-N 0 3 202.298 0.478 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1[C@H](C)C1(F)F ZINC000346219164 386173079 /nfs/dbraw/zinc/17/30/79/386173079.db2.gz KFYLEWPPBCVPCN-CSMHCCOUSA-N 0 3 220.263 0.954 20 0 BCADHN CCN(CCNC(=O)c1cnc[nH]1)C1CC1 ZINC000263756796 386173188 /nfs/dbraw/zinc/17/31/88/386173188.db2.gz QLITWZNBGWPNIQ-UHFFFAOYSA-N 0 3 222.292 0.624 20 0 BCADHN CCN(C)CCNC(=O)COCC(F)(F)F ZINC000119986181 386175969 /nfs/dbraw/zinc/17/59/69/386175969.db2.gz LWSJKXLSYUUAIU-UHFFFAOYSA-N 0 3 242.241 0.633 20 0 BCADHN Cc1ccnc([C@@H](C)NC[C@@H](O)CN(C)C)c1 ZINC000353506465 386177806 /nfs/dbraw/zinc/17/78/06/386177806.db2.gz YPUCEPFULQCAKY-VXGBXAGGSA-N 0 3 237.347 0.963 20 0 BCADHN CCN(CC(=O)N[C@H](C)CN(C)C)C1CC1 ZINC000346238001 386178611 /nfs/dbraw/zinc/17/86/11/386178611.db2.gz ZJYFDDFYTANHRQ-SNVBAGLBSA-N 0 3 227.352 0.537 20 0 BCADHN CC[C@H](N)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000262512350 386179640 /nfs/dbraw/zinc/17/96/40/386179640.db2.gz DQVIOAFNFQQZND-NSHDSACASA-N 0 3 249.314 0.182 20 0 BCADHN CCOC(=O)CCN1CC[C@H](CO)C1 ZINC000157439068 386179599 /nfs/dbraw/zinc/17/95/99/386179599.db2.gz RJISXNDBUZEIRW-VIFPVBQESA-N 0 3 201.266 0.254 20 0 BCADHN CC(C)[C@@H](O)CN1CCC[C@H]1C(=O)N(C)C ZINC000340275233 386182957 /nfs/dbraw/zinc/18/29/57/386182957.db2.gz AXEUCPVJVHPSOD-QWRGUYRKSA-N 0 3 228.336 0.556 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CC[C@@H](O)C1 ZINC000346202366 386183819 /nfs/dbraw/zinc/18/38/19/386183819.db2.gz UHNSTQGWMQEETK-OPRDCNLKSA-N 0 3 214.309 0.214 20 0 BCADHN C[C@H](O)CCN1CCC[C@@H](n2ccnn2)C1 ZINC000425502680 386185668 /nfs/dbraw/zinc/18/56/68/386185668.db2.gz HSIIFUJDURWEAP-WDEREUQCSA-N 0 3 224.308 0.686 20 0 BCADHN C[C@@H](N[C@@H](C)CN1CCOCC1)c1cn[nH]c1 ZINC000275157892 386187871 /nfs/dbraw/zinc/18/78/71/386187871.db2.gz IDKLPRGAZSUKBD-WDEREUQCSA-N 0 3 238.335 0.781 20 0 BCADHN CN(C)c1ncc(CNCC2=CCCOC2)cn1 ZINC000288342026 386188319 /nfs/dbraw/zinc/18/83/19/386188319.db2.gz BMHOMLWSAKOMOR-UHFFFAOYSA-N 0 3 248.330 0.979 20 0 BCADHN Cc1nnccc1C(=O)N(C)CCN(C)C1CC1 ZINC000274607238 386127767 /nfs/dbraw/zinc/12/77/67/386127767.db2.gz VQILXAUWHLFZMQ-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN CO[C@@H](CN(C)[C@@]1(CO)CCOC1)C1CC1 ZINC000425464400 386134883 /nfs/dbraw/zinc/13/48/83/386134883.db2.gz XOXNZMOVUHCYSA-NWDGAFQWSA-N 0 3 229.320 0.495 20 0 BCADHN CNC(=O)[C@H]1CCC[C@H]1NCc1c[nH]nc1C ZINC000345865254 386135071 /nfs/dbraw/zinc/13/50/71/386135071.db2.gz ZLHQSPOQOHZUBK-WDEREUQCSA-N 0 3 236.319 0.722 20 0 BCADHN C[C@H](O)CCN1CC[C@](O)(C(F)F)C1 ZINC000425468044 386135398 /nfs/dbraw/zinc/13/53/98/386135398.db2.gz CNLGLFAJTYHJPW-IONNQARKSA-N 0 3 209.236 0.459 20 0 BCADHN Cc1nc(CNC(=O)N[C@@H](C)CN(C)C)no1 ZINC000287613525 386136570 /nfs/dbraw/zinc/13/65/70/386136570.db2.gz XQFOHQKHJQMSKT-ZETCQYMHSA-N 0 3 241.295 0.127 20 0 BCADHN CO[C@H](CN(C)[C@@]1(CO)CCOC1)C1CC1 ZINC000425464403 386136464 /nfs/dbraw/zinc/13/64/64/386136464.db2.gz XOXNZMOVUHCYSA-VXGBXAGGSA-N 0 3 229.320 0.495 20 0 BCADHN O=C([C@@H]1CCCOC1)N1CCCNCC1 ZINC000054768276 386138238 /nfs/dbraw/zinc/13/82/38/386138238.db2.gz XQNKKXQZIRJBBE-SNVBAGLBSA-N 0 3 212.293 0.235 20 0 BCADHN CC(=O)N(C)CC(=O)N(C)CCN(C)C1CC1 ZINC000354081714 386189517 /nfs/dbraw/zinc/18/95/17/386189517.db2.gz HJOIONMRHGALBU-UHFFFAOYSA-N 0 3 241.335 0.017 20 0 BCADHN C[C@H](CN1CCOCC1)N(C)CC1(CO)CC1 ZINC000190028932 386143704 /nfs/dbraw/zinc/14/37/04/386143704.db2.gz VWQSHQGLCXEFRC-GFCCVEGCSA-N 0 3 242.363 0.411 20 0 BCADHN CC(C)[C@H](O)CN(C)C1(C(N)=O)CCCC1 ZINC000340285555 386203203 /nfs/dbraw/zinc/20/32/03/386203203.db2.gz IPTBHBXSHDIGAT-SNVBAGLBSA-N 0 3 228.336 0.733 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)/C=C/c2ccnn2C)C1 ZINC000264025232 386204798 /nfs/dbraw/zinc/20/47/98/386204798.db2.gz QAQTZASSNYMKKD-ZYOFXKKJSA-N 0 3 248.330 0.596 20 0 BCADHN CS[C@H](C)CNC(=O)C(C)S(C)(=O)=O ZINC000131412798 386207459 /nfs/dbraw/zinc/20/74/59/386207459.db2.gz BVXSSVIIGBQRAV-RNFRBKRXSA-N 0 3 239.362 0.287 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCCOC1)N(C)C ZINC000340551179 386207504 /nfs/dbraw/zinc/20/75/04/386207504.db2.gz PGLBLDUCLUECEZ-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN CC(C)[C@H](C(=O)NCc1cnnn1C)N(C)C ZINC000288494257 386207966 /nfs/dbraw/zinc/20/79/66/386207966.db2.gz DISAYZCGZCTVPI-SNVBAGLBSA-N 0 3 239.323 0.018 20 0 BCADHN COC[C@H](C)N[C@H]1CCO[C@@H]1c1nccn1C ZINC000275463054 386213207 /nfs/dbraw/zinc/21/32/07/386213207.db2.gz HHQVSWQDNULXPO-DCAQKATOSA-N 0 3 239.319 0.875 20 0 BCADHN CC[C@H](O)CN1CCSC[C@H]1CCO ZINC000339019038 386215963 /nfs/dbraw/zinc/21/59/63/386215963.db2.gz OZSDWCIXAGZQEA-ZJUUUORDSA-N 0 3 219.350 0.557 20 0 BCADHN Cn1nc(C(=O)N2CCCNCC2)cc1C1CC1 ZINC000336116388 386221931 /nfs/dbraw/zinc/22/19/31/386221931.db2.gz XBCCQJVOJXQOTR-UHFFFAOYSA-N 0 3 248.330 0.733 20 0 BCADHN c1[nH]nnc1CN1CCN(C2CC2)CC1 ZINC000340291227 386222826 /nfs/dbraw/zinc/22/28/26/386222826.db2.gz XIUJRHSDFDGLOH-UHFFFAOYSA-N 0 3 207.281 0.085 20 0 BCADHN CN1CCC(CC(=O)NCC(C)(C)O)CC1 ZINC000347035634 386223201 /nfs/dbraw/zinc/22/32/01/386223201.db2.gz VEJGLDZBDDZLTA-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCC[C@@H]1C(N)=O ZINC000340292372 386225962 /nfs/dbraw/zinc/22/59/62/386225962.db2.gz UERZMRBTEVUVJQ-BDAKNGLRSA-N 0 3 214.309 0.343 20 0 BCADHN CN1CCC(CC(=O)NC[C@H]2CCOC2)CC1 ZINC000347037444 386226153 /nfs/dbraw/zinc/22/61/53/386226153.db2.gz JHRAKQXXNLBHKB-GFCCVEGCSA-N 0 3 240.347 0.871 20 0 BCADHN CO[C@H](C)CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000190514359 386228658 /nfs/dbraw/zinc/22/86/58/386228658.db2.gz CJSQMIDCPKRCNY-NXEZZACHSA-N 0 3 243.351 0.803 20 0 BCADHN CO[C@@H](C)CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000190514380 386229183 /nfs/dbraw/zinc/22/91/83/386229183.db2.gz CJSQMIDCPKRCNY-UWVGGRQHSA-N 0 3 243.351 0.803 20 0 BCADHN COC1(CCN(C)[C@H]2CCNC2=O)CCC1 ZINC000339058997 386230674 /nfs/dbraw/zinc/23/06/74/386230674.db2.gz MTCYMLXMXRDYCO-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@H](O)CN1CCN(C)[C@@H](C)[C@H]1C ZINC000339064563 386233254 /nfs/dbraw/zinc/23/32/54/386233254.db2.gz MNPIWKBDKUGMBJ-AXFHLTTASA-N 0 3 200.326 0.782 20 0 BCADHN Cn1ccc(NC(=O)NC2CCN(C)CC2)n1 ZINC000264408282 386233749 /nfs/dbraw/zinc/23/37/49/386233749.db2.gz DWCWUWVNAGBZOO-UHFFFAOYSA-N 0 3 237.307 0.636 20 0 BCADHN C[C@H](CC(C)(C)O)NC(=O)/C=C/CN(C)C ZINC000297309510 386240668 /nfs/dbraw/zinc/24/06/68/386240668.db2.gz VKKBKQUNLJEGCU-VQCYPWCPSA-N 0 3 228.336 0.770 20 0 BCADHN C[C@@H](c1nncn1C)N(C)CCN1CCCC1 ZINC000347083399 386241285 /nfs/dbraw/zinc/24/12/85/386241285.db2.gz VMSFJAKDNBSEDD-NSHDSACASA-N 0 3 237.351 0.904 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2c[nH]cn2)C1 ZINC000264476398 386241564 /nfs/dbraw/zinc/24/15/64/386241564.db2.gz SUXWCNLBQOQDLE-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CCC(=O)N(C)C1)N(C)C ZINC000125284949 386241817 /nfs/dbraw/zinc/24/18/17/386241817.db2.gz HDQBDHPFOLRLMM-UWVGGRQHSA-N 0 3 241.335 0.064 20 0 BCADHN CSCCCN(C)[C@@H]1CCNC1=O ZINC000336643964 386242069 /nfs/dbraw/zinc/24/20/69/386242069.db2.gz MALUITIFYUCOCV-MRVPVSSYSA-N 0 3 202.323 0.560 20 0 BCADHN OCCCN(CCO)CCOC1CCC1 ZINC000347087914 386244007 /nfs/dbraw/zinc/24/40/07/386244007.db2.gz YUZVBEMEHSUDKY-UHFFFAOYSA-N 0 3 217.309 0.232 20 0 BCADHN Cc1c(C(=O)NCCN)oc2c1C(=O)CCC2 ZINC000262160386 386247159 /nfs/dbraw/zinc/24/71/59/386247159.db2.gz NHAAFTBLPBJUEN-UHFFFAOYSA-N 0 3 236.271 0.796 20 0 BCADHN CC(C)[C@@H]1CCN(CCNS(C)(=O)=O)C1 ZINC000336646921 386253785 /nfs/dbraw/zinc/25/37/85/386253785.db2.gz LLAFBNVMVKQVLD-SNVBAGLBSA-N 0 3 234.365 0.514 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@H]1CCCO1 ZINC000264613907 386255387 /nfs/dbraw/zinc/25/53/87/386255387.db2.gz IZEBBXHTMKPFKZ-QLCVYAKKSA-N 0 3 212.293 0.399 20 0 BCADHN CN(CCOC1CCC1)[C@H]1COC[C@H]1O ZINC000347140495 386256940 /nfs/dbraw/zinc/25/69/40/386256940.db2.gz USAMCRXTCNGDQA-WDEREUQCSA-N 0 3 215.293 0.247 20 0 BCADHN C[C@H](NC(=O)[C@H]1CCCCN1)c1ncon1 ZINC000125488603 386258634 /nfs/dbraw/zinc/25/86/34/386258634.db2.gz RVPVHTOLCRIGID-JGVFFNPUSA-N 0 3 224.264 0.389 20 0 BCADHN COc1ccc(C(=O)NCC2(N(C)C)CC2)cn1 ZINC000416286738 386258718 /nfs/dbraw/zinc/25/87/18/386258718.db2.gz BSBOWILCSVUQDY-UHFFFAOYSA-N 0 3 249.314 0.914 20 0 BCADHN CN(CCN1CCOCC1)[C@@H]1CCSC1 ZINC000336647634 386258762 /nfs/dbraw/zinc/25/87/62/386258762.db2.gz MPXSKNMKEILDCQ-LLVKDONJSA-N 0 3 230.377 0.756 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccncn1 ZINC000275201759 386191911 /nfs/dbraw/zinc/19/19/11/386191911.db2.gz YSELFADGEKHVIP-LLVKDONJSA-N 0 3 248.330 0.890 20 0 BCADHN Cc1ccncc1CNC[C@@]1(O)CCOC1 ZINC000235814994 386192476 /nfs/dbraw/zinc/19/24/76/386192476.db2.gz HTXASPJEBPOIOD-LBPRGKRZSA-N 0 3 222.288 0.631 20 0 BCADHN CCC[C@H](N)C(=O)NCc1cccc(CO)c1 ZINC000225421427 386193493 /nfs/dbraw/zinc/19/34/93/386193493.db2.gz KNWVOTNBVZIZKO-LBPRGKRZSA-N 0 3 236.315 0.923 20 0 BCADHN Cc1cnc(C(=O)N2CCC[C@@H]2CN(C)C)cn1 ZINC000263923042 386193782 /nfs/dbraw/zinc/19/37/82/386193782.db2.gz PYKGBCUAEZFAPK-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN C[C@H](O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000346338718 386194119 /nfs/dbraw/zinc/19/41/19/386194119.db2.gz SIANTCDKWMAFFU-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN CC[S@@](=O)CC(=O)NC[C@H](C)N(C)C1CC1 ZINC000346338847 386194377 /nfs/dbraw/zinc/19/43/77/386194377.db2.gz PAMCOZAPMLIOJR-XXFAHNHDSA-N 0 3 246.376 0.354 20 0 BCADHN CCC[C@@H]1CN(C[C@H](C)O)CCN1C[C@@H](C)O ZINC000340282637 386195565 /nfs/dbraw/zinc/19/55/65/386195565.db2.gz KZBKANRSUHBHJY-YNEHKIRRSA-N 0 3 244.379 0.534 20 0 BCADHN CC(C)[C@H](O)CN1CCC[C@H]1C(=O)NC1CC1 ZINC000340283123 386195590 /nfs/dbraw/zinc/19/55/90/386195590.db2.gz FSPKHQIVKQSJHA-NWDGAFQWSA-N 0 3 240.347 0.746 20 0 BCADHN Cc1cc(C)cc(CN2C[C@@H](O)[C@H](O)C2)c1 ZINC000235847015 386196142 /nfs/dbraw/zinc/19/61/42/386196142.db2.gz DWIGVUWDJVUKPY-CHWSQXEVSA-N 0 3 221.300 0.841 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000275290778 386198810 /nfs/dbraw/zinc/19/88/10/386198810.db2.gz VESSEFPCTHEBBN-QEBMPYFUSA-N 0 3 226.320 0.380 20 0 BCADHN Cc1ccc(CN2C[C@@H](O)[C@H](O)C2)cc1C ZINC000235888177 386200188 /nfs/dbraw/zinc/20/01/88/386200188.db2.gz RVAOHOUSSONLDY-CHWSQXEVSA-N 0 3 221.300 0.841 20 0 BCADHN C[C@H](O)CN(CCOC1CCC1)[C@@H](C)CO ZINC000347199746 386281689 /nfs/dbraw/zinc/28/16/89/386281689.db2.gz NHBPITMGZBEBNR-QWRGUYRKSA-N 0 3 231.336 0.619 20 0 BCADHN CO[C@@H]1CN([C@@H]2CCCNC2=O)CC[C@@H]1C ZINC000336662952 386282158 /nfs/dbraw/zinc/28/21/58/386282158.db2.gz CWWXATIMSARMDL-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](CO)N(CCOC1CCC1)C[C@H](C)O ZINC000347199744 386282944 /nfs/dbraw/zinc/28/29/44/386282944.db2.gz NHBPITMGZBEBNR-MNOVXSKESA-N 0 3 231.336 0.619 20 0 BCADHN CO[C@@H]1CN([C@H]2CCCNC2=O)CC[C@H]1C ZINC000336662956 386283226 /nfs/dbraw/zinc/28/32/26/386283226.db2.gz CWWXATIMSARMDL-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN COC(=O)CCN1CCC[C@@H](n2ccnn2)C1 ZINC000425504211 386284766 /nfs/dbraw/zinc/28/47/66/386284766.db2.gz VIWZSNAVVDCXDZ-SNVBAGLBSA-N 0 3 238.291 0.478 20 0 BCADHN OCCCN1CCC[C@@H](n2ccnn2)C1 ZINC000425504312 386285669 /nfs/dbraw/zinc/28/56/69/386285669.db2.gz VMEFWSJIBJMNDG-SNVBAGLBSA-N 0 3 210.281 0.297 20 0 BCADHN CCN(C[C@@H]1COCCO1)[C@H]1CCOC1 ZINC000336676257 386324301 /nfs/dbraw/zinc/32/43/01/386324301.db2.gz HMJLQXDVUPHPIC-WDEREUQCSA-N 0 3 215.293 0.513 20 0 BCADHN CC[C@H](O)CN1CCN(CC)C[C@@H]1C ZINC000339192367 386286620 /nfs/dbraw/zinc/28/66/20/386286620.db2.gz PIYGIPGPMWOXHL-QWRGUYRKSA-N 0 3 200.326 0.783 20 0 BCADHN Cc1cncc(CN(C[C@H](C)O)[C@@H](C)CO)c1 ZINC000276238610 386289789 /nfs/dbraw/zinc/28/97/89/386289789.db2.gz UKWYGSHWVGWVLA-RYUDHWBXSA-N 0 3 238.331 0.954 20 0 BCADHN COC[C@H](C)N1CCC(O)(COC)CC1 ZINC000336665918 386290128 /nfs/dbraw/zinc/29/01/28/386290128.db2.gz VLJARVNKSKQFJB-JTQLQIEISA-N 0 3 217.309 0.495 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H](CO)C1)N(CC)CC ZINC000340313707 386293023 /nfs/dbraw/zinc/29/30/23/386293023.db2.gz MPEAQDFJUUQSDX-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CN(C[C@@H]1CCCO1)C(=O)C[C@H]1CNCCO1 ZINC000091310933 386293407 /nfs/dbraw/zinc/29/34/07/386293407.db2.gz RDRRBAUTDSLCAX-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN C[C@H](O)CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000339192974 386294626 /nfs/dbraw/zinc/29/46/26/386294626.db2.gz ZZQHHKHFSHGTOY-XHNCKOQMSA-N 0 3 241.253 0.860 20 0 BCADHN C[C@H](NCCC(=O)NC(N)=O)c1ccccn1 ZINC000298089792 386298666 /nfs/dbraw/zinc/29/86/66/386298666.db2.gz KOSFYRTYMIIWBC-QMMMGPOBSA-N 0 3 236.275 0.317 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1CC(=O)N(C2CC2)C1 ZINC000289420465 386302136 /nfs/dbraw/zinc/30/21/36/386302136.db2.gz CNMFZYIMWIJSJA-SECBINFHSA-N 0 3 234.303 0.571 20 0 BCADHN Cc1nonc1C(=O)NCCN(C)C1CC1 ZINC000265068610 386302507 /nfs/dbraw/zinc/30/25/07/386302507.db2.gz VPDCLGDCUSDWMH-UHFFFAOYSA-N 0 3 224.264 0.202 20 0 BCADHN CO[C@H](C)CN1CCSC[C@@H]1CCO ZINC000336672282 386302701 /nfs/dbraw/zinc/30/27/01/386302701.db2.gz LWGGBDOLPNIALF-ZJUUUORDSA-N 0 3 219.350 0.821 20 0 BCADHN CCOCCN[C@@](C)(C(N)=O)C(C)C ZINC000308454632 386303524 /nfs/dbraw/zinc/30/35/24/386303524.db2.gz DISHYSKTVGCXAV-SNVBAGLBSA-N 0 3 202.298 0.513 20 0 BCADHN Cc1ccc([O-])c(CN[C@H](C)[C@H](C)[NH3+])n1 ZINC000415005647 386303960 /nfs/dbraw/zinc/30/39/60/386303960.db2.gz JJRMMLOLSGBFQZ-DTWKUNHWSA-N 0 3 209.293 0.921 20 0 BCADHN CC(C)[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2N)CCO1 ZINC000331938444 386304180 /nfs/dbraw/zinc/30/41/80/386304180.db2.gz IDFMTHCUYZSYLB-ZRUFSTJUSA-N 0 3 226.320 0.653 20 0 BCADHN c1c(CNCCN2CCCC2)nc2ncccn12 ZINC000298167198 386304478 /nfs/dbraw/zinc/30/44/78/386304478.db2.gz NDBIYHMHOIPRAF-UHFFFAOYSA-N 0 3 245.330 0.915 20 0 BCADHN OC[C@H]1CC[C@H](CO)N1CCOC1CCC1 ZINC000347304808 386305405 /nfs/dbraw/zinc/30/54/05/386305405.db2.gz LQMSJVKOEMVKOI-GHMZBOCLSA-N 0 3 229.320 0.373 20 0 BCADHN COCCCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000416431411 386306426 /nfs/dbraw/zinc/30/64/26/386306426.db2.gz BAGSUYCDGBPUQT-VHSXEESVSA-N 0 3 229.324 0.415 20 0 BCADHN CC(C)N1CCN(CCc2cn[nH]c2)CC1 ZINC000289444425 386306668 /nfs/dbraw/zinc/30/66/68/386306668.db2.gz WUUJZYWOHHHDGP-UHFFFAOYSA-N 0 3 222.336 0.978 20 0 BCADHN CC(C)C(=O)NC[C@@H]1CCCN(CCO)C1 ZINC000081670041 386307134 /nfs/dbraw/zinc/30/71/34/386307134.db2.gz RCHSKJQKHPLLFD-NSHDSACASA-N 0 3 228.336 0.463 20 0 BCADHN Cc1noc(CCCN2C[C@H](O)C[C@@H]2C)n1 ZINC000336669121 386309259 /nfs/dbraw/zinc/30/92/59/386309259.db2.gz HUPJTQIIPVABBM-WCBMZHEXSA-N 0 3 225.292 0.766 20 0 BCADHN Cc1noc(CCCN2C[C@@H](O)C[C@@H]2C)n1 ZINC000336669124 386310593 /nfs/dbraw/zinc/31/05/93/386310593.db2.gz HUPJTQIIPVABBM-WPRPVWTQSA-N 0 3 225.292 0.766 20 0 BCADHN Cc1cc(=O)n(C)cc1NC(=O)[C@@H](N)C(C)C ZINC000236792604 386311324 /nfs/dbraw/zinc/31/13/24/386311324.db2.gz KCPLOGYWOYUQIK-NSHDSACASA-N 0 3 237.303 0.616 20 0 BCADHN COC(=O)[C@@H]1CCN(Cc2cnc[nH]2)[C@@H]1C ZINC000347280331 386315446 /nfs/dbraw/zinc/31/54/46/386315446.db2.gz REMTWIIXRJBEAC-PSASIEDQSA-N 0 3 223.276 0.793 20 0 BCADHN OCCCCN1CCSC[C@@H]1CCO ZINC000336674966 386316198 /nfs/dbraw/zinc/31/61/98/386316198.db2.gz TZESMATYGJZYEF-JTQLQIEISA-N 0 3 219.350 0.559 20 0 BCADHN C[C@H](O)CN(CCc1cncn1C)[C@@H](C)CO ZINC000289491367 386316362 /nfs/dbraw/zinc/31/63/62/386316362.db2.gz CNETWCJUIBRAOR-QWRGUYRKSA-N 0 3 241.335 0.026 20 0 BCADHN O=C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)Cn1cccn1 ZINC000289490689 386316453 /nfs/dbraw/zinc/31/64/53/386316453.db2.gz JKKNEODWFSUOGM-NTZNESFSSA-N 0 3 249.314 0.440 20 0 BCADHN O=C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)Cn1cccn1 ZINC000289490687 386316920 /nfs/dbraw/zinc/31/69/20/386316920.db2.gz JKKNEODWFSUOGM-LOWVWBTDSA-N 0 3 249.314 0.440 20 0 BCADHN CC(=O)NCC(=O)Nc1ccc(CN(C)C)cc1 ZINC000298280645 386317269 /nfs/dbraw/zinc/31/72/69/386317269.db2.gz PNCAEPQHNLTKLR-UHFFFAOYSA-N 0 3 249.314 0.823 20 0 BCADHN CC[C@H]1C[C@H](C)CN1CCS(=O)(=O)N(C)C ZINC000336678882 386317852 /nfs/dbraw/zinc/31/78/52/386317852.db2.gz WQDVGLUTJRMNKO-QWRGUYRKSA-N 0 3 248.392 0.998 20 0 BCADHN Cc1[nH]nc(C(=O)NC[C@H]2CCCN2C)c1C ZINC000265217718 386318963 /nfs/dbraw/zinc/31/89/63/386318963.db2.gz CLQQNUQZBOIYFN-SNVBAGLBSA-N 0 3 236.319 0.851 20 0 BCADHN CN(CCS(=O)(=O)N(C)C)CC1CCCC1 ZINC000336671389 386319252 /nfs/dbraw/zinc/31/92/52/386319252.db2.gz SFVIVSJVARAHIM-UHFFFAOYSA-N 0 3 248.392 1.000 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1ccc(C)cc1C ZINC000289503501 386319986 /nfs/dbraw/zinc/31/99/86/386319986.db2.gz HKIXCWORRMMUJM-LBPRGKRZSA-N 0 3 236.315 0.893 20 0 BCADHN CCCCCNC(=O)NC[C@@H]1CNCCO1 ZINC000416445171 386320411 /nfs/dbraw/zinc/32/04/11/386320411.db2.gz KEBNGIAEEQKLBC-JTQLQIEISA-N 0 3 229.324 0.464 20 0 BCADHN COC(=O)c1ccc(NC(=O)[C@H](C)N)cc1 ZINC000011957809 386322845 /nfs/dbraw/zinc/32/28/45/386322845.db2.gz SARTUGUKXILPGW-ZETCQYMHSA-N 0 3 222.244 0.759 20 0 BCADHN CCO[C@@H](C)C(=O)NCCN(C)CCOC ZINC000339246666 386323179 /nfs/dbraw/zinc/32/31/79/386323179.db2.gz OEJGQZDAFOSYOP-JTQLQIEISA-N 0 3 232.324 0.106 20 0 BCADHN Cc1nnc(N2CCCN([C@@H](C)CO)CC2)o1 ZINC000343201607 386261845 /nfs/dbraw/zinc/26/18/45/386261845.db2.gz AKZVUEIGWZRGTP-VIFPVBQESA-N 0 3 240.307 0.271 20 0 BCADHN CC(C)N(C)CC(=O)NCC(F)(F)CN ZINC000190280860 386262531 /nfs/dbraw/zinc/26/25/31/386262531.db2.gz JEYROQFYRORZTJ-UHFFFAOYSA-N 0 3 223.267 0.037 20 0 BCADHN COC[C@@H]1CN(C[C@@H]2CCOC2)CCO1 ZINC000336650400 386263064 /nfs/dbraw/zinc/26/30/64/386263064.db2.gz SSDFZOQIBNLKLD-QWRGUYRKSA-N 0 3 215.293 0.370 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](C)Cn1ccnc1 ZINC000236902640 386323683 /nfs/dbraw/zinc/32/36/83/386323683.db2.gz LBVXRKSMTZVEIW-ZJUUUORDSA-N 0 3 224.308 0.373 20 0 BCADHN C[C@@H](CNC(=O)c1cnns1)N(C)C1CC1 ZINC000057706592 386266617 /nfs/dbraw/zinc/26/66/17/386266617.db2.gz FATCGSFMBSBQFZ-ZETCQYMHSA-N 0 3 240.332 0.751 20 0 BCADHN CCCCN(C)CC(=O)NC(=O)NCC ZINC000057832218 386267159 /nfs/dbraw/zinc/26/71/59/386267159.db2.gz YISJEZNAUCHHED-UHFFFAOYSA-N 0 3 215.297 0.564 20 0 BCADHN Cc1ncc(C(=O)N2CCN(C(C)C)CC2)[nH]1 ZINC000264753486 386267866 /nfs/dbraw/zinc/26/78/66/386267866.db2.gz STDNYISULLSCGR-UHFFFAOYSA-N 0 3 236.319 0.884 20 0 BCADHN CCO[C@H]1C[C@@H]1C(=O)NCC1(N(C)C)CC1 ZINC000416303666 386268100 /nfs/dbraw/zinc/26/81/00/386268100.db2.gz RONKEEHVJHZECX-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)NCC1(N(C)C)CC1 ZINC000416307739 386268972 /nfs/dbraw/zinc/26/89/72/386268972.db2.gz MGWFXDZGDSFCSS-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@H](C)N(C)CCN1CCCS1(=O)=O ZINC000336652907 386270152 /nfs/dbraw/zinc/27/01/52/386270152.db2.gz XEOOQBJHGBURHF-SNVBAGLBSA-N 0 3 234.365 0.752 20 0 BCADHN CC[C@H](C(=O)NCC1(N(C)C)CC1)N(C)C ZINC000416307217 386271306 /nfs/dbraw/zinc/27/13/06/386271306.db2.gz JQMOYKVOMCSHFY-SNVBAGLBSA-N 0 3 227.352 0.537 20 0 BCADHN CNS(=O)(=O)C[C@H]1CCCN1CC1CC1 ZINC000336653940 386272259 /nfs/dbraw/zinc/27/22/59/386272259.db2.gz ZIUFHBBWLNRUFI-SNVBAGLBSA-N 0 3 232.349 0.410 20 0 BCADHN Cc1ccc(C(=O)NCC2(N(C)C)CC2)nn1 ZINC000416311653 386273509 /nfs/dbraw/zinc/27/35/09/386273509.db2.gz KYUSDUQOVWGMFA-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN CN(C)C1(CNC(=O)[C@H](O)C2CCC2)CC1 ZINC000416312406 386273527 /nfs/dbraw/zinc/27/35/27/386273527.db2.gz POTIGYABRCFMPW-SNVBAGLBSA-N 0 3 226.320 0.358 20 0 BCADHN CCN(C)CCNC(=O)c1ncc(OC)cn1 ZINC000340308250 386277792 /nfs/dbraw/zinc/27/77/92/386277792.db2.gz 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CC(C)C[C@H]1C(=O)NCCCN1CCO ZINC000331965500 386356774 /nfs/dbraw/zinc/35/67/74/386356774.db2.gz KUCQEVPHIFAKGK-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN OC[C@H]1CC[C@@H](CO)N1Cc1cccnc1 ZINC000347317125 386357729 /nfs/dbraw/zinc/35/77/29/386357729.db2.gz PYIXOKUMMIDHII-TXEJJXNPSA-N 0 3 222.288 0.399 20 0 BCADHN C[C@H](NC(=O)[C@@]1(F)CCNC1)c1ccncc1 ZINC000366332296 386357967 /nfs/dbraw/zinc/35/79/67/386357967.db2.gz ZFXCTXSRBBJHBX-JOYOIKCWSA-N 0 3 237.278 0.960 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1c2c(nn1C)CCC2 ZINC000265659856 386358200 /nfs/dbraw/zinc/35/82/00/386358200.db2.gz QQUGTJYFMDWOFN-VMPITWQZSA-N 0 3 248.330 0.965 20 0 BCADHN CCN1C[C@@H](NCc2ccncc2)CC1=O ZINC000391483863 386359025 /nfs/dbraw/zinc/35/90/25/386359025.db2.gz WHHAVXKWLVMXMR-NSHDSACASA-N 0 3 219.288 0.792 20 0 BCADHN Cc1nnc(NC(=O)/C=C/CN(C)C)s1 ZINC000265681713 386359399 /nfs/dbraw/zinc/35/93/99/386359399.db2.gz WBIHHSYCIRYVQQ-SNAWJCMRSA-N 0 3 226.305 0.903 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1Cc1ncnn1C ZINC000336690826 386359424 /nfs/dbraw/zinc/35/94/24/386359424.db2.gz HXHPFROSSPCBFQ-NSHDSACASA-N 0 3 237.351 0.587 20 0 BCADHN CCOCCNC(=O)CNC(C)(C)COCC ZINC000339363150 386386837 /nfs/dbraw/zinc/38/68/37/386386837.db2.gz ZFUZBUGDJFXEKF-UHFFFAOYSA-N 0 3 246.351 0.544 20 0 BCADHN C[C@]1(CO)CCC[C@H]1NCC(=O)N1CCCC1 ZINC000408364842 386360795 /nfs/dbraw/zinc/36/07/95/386360795.db2.gz NKYLQTXGOWFLMY-DGCLKSJQSA-N 0 3 240.347 0.750 20 0 BCADHN CCOCCN1C[C@@H](OC)[C@@H](OC)C1 ZINC000336691158 386361042 /nfs/dbraw/zinc/36/10/42/386361042.db2.gz PGXWKWXGLQUXOI-AOOOYVTPSA-N 0 3 203.282 0.369 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1csc(=O)[nH]1 ZINC000226684630 386363546 /nfs/dbraw/zinc/36/35/46/386363546.db2.gz NGQWBSZLORAGIJ-SNVBAGLBSA-N 0 3 243.332 0.570 20 0 BCADHN CCC[C@](C)(N)C(=O)NCc1csc(=O)[nH]1 ZINC000226684636 386363872 /nfs/dbraw/zinc/36/38/72/386363872.db2.gz NGQWBSZLORAGIJ-JTQLQIEISA-N 0 3 243.332 0.570 20 0 BCADHN C[C@@H]1OCC[C@@H]1NCC(=O)NCC(F)F ZINC000336774773 386368577 /nfs/dbraw/zinc/36/85/77/386368577.db2.gz ZRCMUFRWBFRGPL-BQBZGAKWSA-N 0 3 222.235 0.135 20 0 BCADHN Cc1cn[nH]c1CN[C@@H](C)C(=O)N1CCCC1 ZINC000289878750 386369206 /nfs/dbraw/zinc/36/92/06/386369206.db2.gz POMWVIAGXZJEFX-JTQLQIEISA-N 0 3 236.319 0.819 20 0 BCADHN C[C@H]1CN(C)CCN1CCN1CCCC1=O ZINC000336700005 386387211 /nfs/dbraw/zinc/38/72/11/386387211.db2.gz KBEHHIRMMAYESW-NSHDSACASA-N 0 3 225.336 0.245 20 0 BCADHN CN(C)[C@@H](CNC(=O)CC(N)=O)c1ccccc1 ZINC000265791421 386370756 /nfs/dbraw/zinc/37/07/56/386370756.db2.gz IMSVMECNRHEXHO-NSHDSACASA-N 0 3 249.314 0.281 20 0 BCADHN Cc1nnc(CN(C)CCN2CCCC2)[nH]1 ZINC000336690375 386370988 /nfs/dbraw/zinc/37/09/88/386370988.db2.gz AUZXWPGSSOHIBX-UHFFFAOYSA-N 0 3 223.324 0.641 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCCC2(CCC2)C1 ZINC000366339249 386371261 /nfs/dbraw/zinc/37/12/61/386371261.db2.gz KGDDQWOQKYQPHL-SECBINFHSA-N 0 3 239.319 0.836 20 0 BCADHN Cc1nocc1CN[C@@H](CO)C1CCOCC1 ZINC000339341120 386372873 /nfs/dbraw/zinc/37/28/73/386372873.db2.gz BQXJAODQEGFQII-LBPRGKRZSA-N 0 3 240.303 0.860 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)[C@H](C)OC)N(C)C ZINC000347380228 386373574 /nfs/dbraw/zinc/37/35/74/386373574.db2.gz PWGPBKIVXWWYND-KXUCPTDWSA-N 0 3 216.325 0.866 20 0 BCADHN CN(CCN1CCCS1(=O)=O)C1CCCC1 ZINC000336695375 386374345 /nfs/dbraw/zinc/37/43/45/386374345.db2.gz GEXGZKWYHQGGEJ-UHFFFAOYSA-N 0 3 246.376 0.896 20 0 BCADHN CC[C@@](C)(O)CNC(=O)CC1CCN(C)CC1 ZINC000347403423 386387347 /nfs/dbraw/zinc/38/73/47/386387347.db2.gz VDCURFAWGVEQAX-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN OC[C@@H](NCCc1cn[nH]n1)c1ccccc1 ZINC000647970388 386375573 /nfs/dbraw/zinc/37/55/73/386375573.db2.gz ORZDXOBRKYRMAO-GFCCVEGCSA-N 0 3 232.287 0.670 20 0 BCADHN Cn1cc(C(=O)NC2CCN(C3CC3)CC2)nn1 ZINC000289954504 386377917 /nfs/dbraw/zinc/37/79/17/386377917.db2.gz PQNDDUBOVVIXMJ-UHFFFAOYSA-N 0 3 249.318 0.172 20 0 BCADHN CN(CC1CCS(=O)(=O)CC1)[C@H]1CCOC1 ZINC000336697167 386378275 /nfs/dbraw/zinc/37/82/75/386378275.db2.gz HZZPFEINDYQRQO-NSHDSACASA-N 0 3 247.360 0.532 20 0 BCADHN CN(CCNC(=O)CC(N)=O)Cc1ccccc1 ZINC000265843494 386378544 /nfs/dbraw/zinc/37/85/44/386378544.db2.gz SNLQFUKQPMMPDG-UHFFFAOYSA-N 0 3 249.314 0.110 20 0 BCADHN Cc1ccc(N2CCC(NC(=O)CN)CC2)nc1 ZINC000366343641 386379891 /nfs/dbraw/zinc/37/98/91/386379891.db2.gz BPPFGJVEOCMSEB-UHFFFAOYSA-N 0 3 248.330 0.434 20 0 BCADHN C[C@H](O)CCN(C)C(=O)CC1CCN(C)CC1 ZINC000347403021 386387484 /nfs/dbraw/zinc/38/74/84/386387484.db2.gz IKKJZNOLCFBBOS-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CO[C@@H]1CCN(CCN2CCOCC2)[C@H](C)C1 ZINC000336698379 386380834 /nfs/dbraw/zinc/38/08/34/386380834.db2.gz WJINOJXLGLVEIV-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN CO[C@H](CNC(=O)[C@@]1(F)CCNC1)C(C)C ZINC000366349908 386381391 /nfs/dbraw/zinc/38/13/91/386381391.db2.gz YKHUKZDGWGBOMU-MWLCHTKSSA-N 0 3 232.299 0.475 20 0 BCADHN C=Cn1cc(CN2C[C@@H](O)C[C@H]2C)cn1 ZINC000334496549 386381471 /nfs/dbraw/zinc/38/14/71/386381471.db2.gz UKMYHDQGPCJQEU-KOLCDFICSA-N 0 3 207.277 0.939 20 0 BCADHN C[NH+](C)C/C=C/C(=O)Nc1ncccc1[O-] ZINC000265886810 386381959 /nfs/dbraw/zinc/38/19/59/386381959.db2.gz KJJJWTOMSVQOMJ-GQCTYLIASA-N 0 3 221.260 0.844 20 0 BCADHN CON(C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000276858816 386383126 /nfs/dbraw/zinc/38/31/26/386383126.db2.gz JZSBGXWBLWHKER-VIFPVBQESA-N 0 3 227.308 0.840 20 0 BCADHN CC(=O)C[C@H](C)NC(=O)C1CCN(C)CC1 ZINC000347400035 386387668 /nfs/dbraw/zinc/38/76/68/386387668.db2.gz RFLACGMAICJTGN-VIFPVBQESA-N 0 3 226.320 0.812 20 0 BCADHN CN(CCCCCO)[C@@H]1CCCNC1=O ZINC000336699492 386385437 /nfs/dbraw/zinc/38/54/37/386385437.db2.gz WVQXNPHXJUYLKU-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN CO[C@@H](C)CN(C)C[C@H]1COCCO1 ZINC000336676058 386326099 /nfs/dbraw/zinc/32/60/99/386326099.db2.gz CAUNFVQZQLUKLI-UWVGGRQHSA-N 0 3 203.282 0.369 20 0 BCADHN Cc1ncoc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000335274011 386327197 /nfs/dbraw/zinc/32/71/97/386327197.db2.gz QVOAORUKLFOUHW-JTQLQIEISA-N 0 3 235.287 0.903 20 0 BCADHN CN(CC1CC1)C[C@H]1CCS(=O)(=O)C1 ZINC000336676820 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ZINC000453345313 386461683 /nfs/dbraw/zinc/46/16/83/386461683.db2.gz NKPMXSNZGLMWIV-GMTAPVOTSA-N 0 3 217.309 0.397 20 0 BCADHN NCC(=O)N1CCc2c(O)cccc2C1 ZINC000638698753 386461832 /nfs/dbraw/zinc/46/18/32/386461832.db2.gz RQOPCGBCSMPFKH-UHFFFAOYSA-N 0 3 206.245 0.236 20 0 BCADHN CCN1C[C@@H](NCc2nc(C)ccc2O)CC1=O ZINC000391594494 386462341 /nfs/dbraw/zinc/46/23/41/386462341.db2.gz GUNNNIDPBOTZBG-JTQLQIEISA-N 0 3 249.314 0.806 20 0 BCADHN C[C@H]1OCC[C@@]1(O)CNCc1ccncc1 ZINC000227979729 386528217 /nfs/dbraw/zinc/52/82/17/386528217.db2.gz RKIIBWIHWRULCG-ZYHUDNBSSA-N 0 3 222.288 0.711 20 0 BCADHN O=C1NCCCC[C@H]1N1CC[C@@H](n2cccn2)C1 ZINC000291726264 386574268 /nfs/dbraw/zinc/57/42/68/386574268.db2.gz JJEYQRHFXCWWAK-VXGBXAGGSA-N 0 3 248.330 0.799 20 0 BCADHN CCCCN(CCO)C(=O)CN(C)CCC ZINC000339744553 386577848 /nfs/dbraw/zinc/57/78/48/386577848.db2.gz GGVNTRKBTQMTAG-UHFFFAOYSA-N 0 3 230.352 0.949 20 0 BCADHN CCc1ccccc1CCN1C[C@@H](O)[C@@H](O)C1 ZINC000278752188 386578738 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ZINC000519776857 386554481 /nfs/dbraw/zinc/55/44/81/386554481.db2.gz WJLINWGBRIDHLA-CMPLNLGQSA-N 0 3 248.330 0.511 20 0 BCADHN NC(=O)NC(=O)CN1CC[C@H]2CCC[C@H]21 ZINC000335403028 386557559 /nfs/dbraw/zinc/55/75/59/386557559.db2.gz ZIYOPNIBRQEQTR-HTQZYQBOSA-N 0 3 211.265 0.056 20 0 BCADHN CN(C)C1(CNC(=O)C2(O)CCCC2)CCC1 ZINC000408418193 386559349 /nfs/dbraw/zinc/55/93/49/386559349.db2.gz VNAVTPONYGJHLF-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN CN(C)[C@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC000335404017 386561446 /nfs/dbraw/zinc/56/14/46/386561446.db2.gz NSIHURCYQIXNAF-WDEREUQCSA-N 0 3 225.336 0.291 20 0 BCADHN CC(C)[C@H](O)C(=O)NCC1=CCN(C)CC1 ZINC000291644520 386564291 /nfs/dbraw/zinc/56/42/91/386564291.db2.gz JDHHPWAJEADPQA-NSHDSACASA-N 0 3 226.320 0.381 20 0 BCADHN C[C@@H](CNC(=O)[C@]1(C)C[C@H]1F)N(C)C ZINC000425317075 386569328 /nfs/dbraw/zinc/56/93/28/386569328.db2.gz QXNCKEWCSCIPHN-QXFUBDJGSA-N 0 3 202.273 0.801 20 0 BCADHN Cc1c(CN2CC[C@@]3(CNC(=O)C3)C2)cnn1C ZINC000278858077 386597835 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/nfs/dbraw/zinc/62/43/88/386624388.db2.gz QTGUIEHCOJEDIE-UWVGGRQHSA-N 0 3 249.318 0.263 20 0 BCADHN CC[C@H]1CN(C)CCN1CCN1CCNC1=O ZINC000644938437 386627606 /nfs/dbraw/zinc/62/76/06/386627606.db2.gz QSDMOULXYZQFLI-NSHDSACASA-N 0 3 240.351 0.038 20 0 BCADHN CC(C)N(C)C(=O)C1CCN(C[C@H](C)O)CC1 ZINC000337147806 386630857 /nfs/dbraw/zinc/63/08/57/386630857.db2.gz ZJRBOVBAWFMAJS-NSHDSACASA-N 0 3 242.363 0.946 20 0 BCADHN CN(Cc1cc([O-])cc(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000415121120 386632179 /nfs/dbraw/zinc/63/21/79/386632179.db2.gz MIUJUBVIZXBBRD-RYUDHWBXSA-N 0 3 240.278 0.296 20 0 BCADHN CN1CCC[C@@H](NC(=O)N[C@H]2CC23CC3)C1 ZINC000644940608 386636005 /nfs/dbraw/zinc/63/60/05/386636005.db2.gz UAQVSDHTOZUOFC-ZJUUUORDSA-N 0 3 223.320 0.932 20 0 BCADHN Cc1ncc(NC(=O)N2C[C@H](C)NC[C@@H]2C)cn1 ZINC000415145782 386641884 /nfs/dbraw/zinc/64/18/84/386641884.db2.gz XSQUMLZOXNJHGL-IUCAKERBSA-N 0 3 249.318 0.999 20 0 BCADHN CO[C@@H]1[C@H](C)[C@H](NCc2cnnn2C)C1(C)C ZINC000329287128 386646585 /nfs/dbraw/zinc/64/65/85/386646585.db2.gz POBRFTXCTHGXTL-DVVUODLYSA-N 0 3 238.335 0.964 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCCN1C1CC1)c1nc[nH]n1 ZINC000279189220 386646967 /nfs/dbraw/zinc/64/69/67/386646967.db2.gz MUUGZPSSMVYYCJ-SCZZXKLOSA-N 0 3 249.318 0.609 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1nnc[n-]1 ZINC000279189220 386646972 /nfs/dbraw/zinc/64/69/72/386646972.db2.gz MUUGZPSSMVYYCJ-SCZZXKLOSA-N 0 3 249.318 0.609 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1nnc[n-]1 ZINC000279189220 386646977 /nfs/dbraw/zinc/64/69/77/386646977.db2.gz MUUGZPSSMVYYCJ-SCZZXKLOSA-N 0 3 249.318 0.609 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCCN1C1CC1)c1nnc[nH]1 ZINC000279189220 386646982 /nfs/dbraw/zinc/64/69/82/386646982.db2.gz MUUGZPSSMVYYCJ-SCZZXKLOSA-N 0 3 249.318 0.609 20 0 BCADHN [NH3+][C@@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000335512349 386647142 /nfs/dbraw/zinc/64/71/42/386647142.db2.gz UDPZDTYRTRCPKQ-NKWVEPMBSA-N 0 3 210.208 0.817 20 0 BCADHN COC(=O)[C@@]1(C)CCN(CCn2cncn2)C1 ZINC000268379624 386648755 /nfs/dbraw/zinc/64/87/55/386648755.db2.gz UMLRIAJDTWJUGY-NSHDSACASA-N 0 3 238.291 0.163 20 0 BCADHN Cc1nccc(CN2CC[C@H](CO)[C@H]2C)n1 ZINC000353229835 386654717 /nfs/dbraw/zinc/65/47/17/386654717.db2.gz FWAXAXFXYUXTDE-MWLCHTKSSA-N 0 3 221.304 0.988 20 0 BCADHN O=C(CNC1CC1)N1CCC[C@@H]2COCC[C@@H]21 ZINC000520218198 386602794 /nfs/dbraw/zinc/60/27/94/386602794.db2.gz PDIRUSZWHWSONR-PWSUYJOCSA-N 0 3 238.331 0.766 20 0 BCADHN C=Cn1cc(CN2CC[C@@H]3C(=O)NC[C@H]3C2)cn1 ZINC000365653990 386605966 /nfs/dbraw/zinc/60/59/66/386605966.db2.gz GSEQOGPCCQPWMB-RYUDHWBXSA-N 0 3 246.314 0.552 20 0 BCADHN CN(C(=O)c1cc[nH]n1)[C@@H]1CCN(C2CC2)C1 ZINC000335489685 386606714 /nfs/dbraw/zinc/60/67/14/386606714.db2.gz JDTGEHPAQKBKCM-SNVBAGLBSA-N 0 3 234.303 0.718 20 0 BCADHN CN(C(=O)c1ccn[nH]1)[C@@H]1CCN(C2CC2)C1 ZINC000335489685 386606718 /nfs/dbraw/zinc/60/67/18/386606718.db2.gz JDTGEHPAQKBKCM-SNVBAGLBSA-N 0 3 234.303 0.718 20 0 BCADHN CCOC[C@H]1CCN(C(=O)C2(N)CCC2)C1 ZINC000520225691 386608201 /nfs/dbraw/zinc/60/82/01/386608201.db2.gz POWUKKXYYNYBAS-JTQLQIEISA-N 0 3 226.320 0.753 20 0 BCADHN Cc1ccc(CCCN2C[C@@H](O)[C@H](O)C2)cc1 ZINC000278953988 386608792 /nfs/dbraw/zinc/60/87/92/386608792.db2.gz ZABUIHVSMYREJQ-ZIAGYGMSSA-N 0 3 235.327 0.965 20 0 BCADHN C/C=C/C=C/C(=O)NC[C@@](C)(O)CN(C)C ZINC000228751775 386610058 /nfs/dbraw/zinc/61/00/58/386610058.db2.gz FXBOHLZFRDKNNH-SJFBBLFCSA-N 0 3 226.320 0.548 20 0 BCADHN O=C(CN1CCCC[C@@H]1CCO)NC1CC1 ZINC000049801191 386655198 /nfs/dbraw/zinc/65/51/98/386655198.db2.gz VLPUZFNGIYMFPU-LLVKDONJSA-N 0 3 226.320 0.502 20 0 BCADHN COC(=O)c1cc(CN[C@H](C)CO)n(C)c1C ZINC000291299266 386611991 /nfs/dbraw/zinc/61/19/91/386611991.db2.gz WNBUPEJIGKGOFD-MRVPVSSYSA-N 0 3 240.303 0.591 20 0 BCADHN CN(C)C/C=C/C(=O)N1CC[C@](C)(O)C1 ZINC000268035112 386613263 /nfs/dbraw/zinc/61/32/63/386613263.db2.gz WIPNFUGTZFCUSQ-ZWNMCFTASA-N 0 3 212.293 0.088 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCc2ccsc2C1 ZINC000335495529 386616092 /nfs/dbraw/zinc/61/60/92/386616092.db2.gz LEIILUKWWBFGEQ-VIFPVBQESA-N 0 3 240.328 0.607 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCOC1 ZINC000179202941 386617038 /nfs/dbraw/zinc/61/70/38/386617038.db2.gz RYHQJMASQHHJAX-VIFPVBQESA-N 0 3 200.282 0.232 20 0 BCADHN Cc1ncncc1C(=O)N1CCC[C@H]1CN(C)C ZINC000268084446 386618714 /nfs/dbraw/zinc/61/87/14/386618714.db2.gz DVHFBVFRXDGGGF-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CCCN(Cc1cnnn1C)[C@H]1CCN(C)C1 ZINC000648056854 386659749 /nfs/dbraw/zinc/65/97/49/386659749.db2.gz YOXXAWLZEKPONT-NSHDSACASA-N 0 3 237.351 0.731 20 0 BCADHN CC[C@@H](CNC(=O)/C=C/CN(C)C)OC ZINC000292516925 386682057 /nfs/dbraw/zinc/68/20/57/386682057.db2.gz QFETZUUDXATYIV-FGEFZZPRSA-N 0 3 214.309 0.645 20 0 BCADHN COCCn1cc(NC(=O)C(C)(C)N)cn1 ZINC000040922413 386660317 /nfs/dbraw/zinc/66/03/17/386660317.db2.gz XXOSVONSCIWWKT-UHFFFAOYSA-N 0 3 226.280 0.205 20 0 BCADHN CN1CCC(NC(=O)c2cn3c(n2)CCC3)CC1 ZINC000335522019 386661624 /nfs/dbraw/zinc/66/16/24/386661624.db2.gz SWORBCIOEDWTAP-UHFFFAOYSA-N 0 3 248.330 0.653 20 0 BCADHN CC(C)[C@@H](O)CN1CCc2cn[nH]c2C1 ZINC000644998641 386661793 /nfs/dbraw/zinc/66/17/93/386661793.db2.gz HDIGYQJPPDZHNU-NSHDSACASA-N 0 3 209.293 0.785 20 0 BCADHN C[C@@H](O)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000337226553 386663143 /nfs/dbraw/zinc/66/31/43/386663143.db2.gz FXCFFBXUZXOVNR-ZYHUDNBSSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@H](O)CN1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000337222742 386664049 /nfs/dbraw/zinc/66/40/49/386664049.db2.gz CYIULYKUJPWIQT-TUAOUCFPSA-N 0 3 229.320 0.637 20 0 BCADHN CO[C@H](CN)C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000353164622 386667859 /nfs/dbraw/zinc/66/78/59/386667859.db2.gz IKYGNSYHQDUERP-LDYMZIIASA-N 0 3 226.320 0.750 20 0 BCADHN CC(C)OCCN(C[C@@H](C)O)[C@@H](C)CO ZINC000190816939 386668301 /nfs/dbraw/zinc/66/83/01/386668301.db2.gz SXZMXUKWCKPLPN-WDEREUQCSA-N 0 3 219.325 0.475 20 0 BCADHN C[C@@H](O)CN(CCOCC1CC1)[C@@H](C)CO ZINC000190816294 386669273 /nfs/dbraw/zinc/66/92/73/386669273.db2.gz ZENQTFPCODBTLU-WDEREUQCSA-N 0 3 231.336 0.477 20 0 BCADHN Cn1cc(C[C@@H]2CCN(C(=O)C3(N)CC3)C2)cn1 ZINC000520411766 386669636 /nfs/dbraw/zinc/66/96/36/386669636.db2.gz DMDYBEPZDCFYOJ-JTQLQIEISA-N 0 3 248.330 0.302 20 0 BCADHN COC(=O)[C@H]1CC[C@@H](NCc2cnnn2C)C1 ZINC000279352589 386671721 /nfs/dbraw/zinc/67/17/21/386671721.db2.gz GHIXYEWCUIDQPG-DTWKUNHWSA-N 0 3 238.291 0.246 20 0 BCADHN CN(CCn1cncn1)C[C@@H]1CCC[C@@H]1O ZINC000330363507 386673694 /nfs/dbraw/zinc/67/36/94/386673694.db2.gz INEYKHLETSRZLF-QWRGUYRKSA-N 0 3 224.308 0.371 20 0 BCADHN C[C@@H](NCc1cnnn1C)[C@@H]1CCCO1 ZINC000129709554 386674730 /nfs/dbraw/zinc/67/47/30/386674730.db2.gz FYIFMQQPCODXOK-SCZZXKLOSA-N 0 3 210.281 0.472 20 0 BCADHN CC1(C(=O)NC[C@H]2CNCCO2)CCC1 ZINC000335520379 386658858 /nfs/dbraw/zinc/65/88/58/386658858.db2.gz RGMKCBFCQVEBQB-SECBINFHSA-N 0 3 212.293 0.281 20 0 BCADHN CC[C@@H](C(=O)NCCn1cnnc1C)N(C)C ZINC000268870644 386711523 /nfs/dbraw/zinc/71/15/23/386711523.db2.gz UFPSICFFCKWIDT-JTQLQIEISA-N 0 3 239.323 0.043 20 0 BCADHN C[C@@H](NCCO)c1ccc(-n2cnnn2)cc1 ZINC000268708322 386684430 /nfs/dbraw/zinc/68/44/30/386684430.db2.gz CSXUQKKSKTYNPZ-SECBINFHSA-N 0 3 233.275 0.305 20 0 BCADHN CC(C)n1cc(CNC[C@H]2CCOC2)nn1 ZINC000336647967 386684893 /nfs/dbraw/zinc/68/48/93/386684893.db2.gz FYJAWPMISICYGV-SNVBAGLBSA-N 0 3 224.308 0.985 20 0 BCADHN Cn1cccc1CN1CC[C@]2(CNC(=O)C2)C1 ZINC000279488570 386687706 /nfs/dbraw/zinc/68/77/06/386687706.db2.gz USPRUNKLCMRQGG-ZDUSSCGKSA-N 0 3 233.315 0.737 20 0 BCADHN CC(C)N(CC(N)=O)C[C@@H]1CCC[C@@H](O)C1 ZINC000647956531 386689203 /nfs/dbraw/zinc/68/92/03/386689203.db2.gz YDFXLGMCXWFRJQ-GHMZBOCLSA-N 0 3 228.336 0.733 20 0 BCADHN CCO[C@@H]1C[C@H]1NC(=O)NC[C@H](C)N(C)C ZINC000520517047 386691713 /nfs/dbraw/zinc/69/17/13/386691713.db2.gz QPXDMEKOOIUPLO-IVZWLZJFSA-N 0 3 229.324 0.413 20 0 BCADHN CCOC[C@H](O)CN1CCN(C)[C@H](C)[C@H]1C ZINC000357024560 386693571 /nfs/dbraw/zinc/69/35/71/386693571.db2.gz NNSRSGMJRCWBRQ-IJLUTSLNSA-N 0 3 230.352 0.408 20 0 BCADHN C[C@H](O)CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000337265106 386694275 /nfs/dbraw/zinc/69/42/75/386694275.db2.gz YGJDBMAWIDSSSZ-RYUDHWBXSA-N 0 3 242.363 0.552 20 0 BCADHN COCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC000279545931 386698956 /nfs/dbraw/zinc/69/89/56/386698956.db2.gz XFCODHPKEQSWFX-QMMMGPOBSA-N 0 3 225.292 0.802 20 0 BCADHN C[C@@H]1[C@H](C)N(CCOCCO)CCN1C ZINC000357039408 386699565 /nfs/dbraw/zinc/69/95/65/386699565.db2.gz OHIFIBQOPZOOEK-MNOVXSKESA-N 0 3 216.325 0.020 20 0 BCADHN C[C@H]1CN(C(=O)c2cn3c(n2)CCC3)[C@@H](C)CN1 ZINC000335476490 386701012 /nfs/dbraw/zinc/70/10/12/386701012.db2.gz CQVHMSBQVZEWTC-UWVGGRQHSA-N 0 3 248.330 0.652 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCc1cccnc1 ZINC000520576492 386701020 /nfs/dbraw/zinc/70/10/20/386701020.db2.gz HBNUCUUKJKLWLU-VXGBXAGGSA-N 0 3 222.288 0.628 20 0 BCADHN C[C@H](O)CN(C)C[C@@H](O)COc1ccccc1 ZINC000247145028 386701405 /nfs/dbraw/zinc/70/14/05/386701405.db2.gz ZUUZSDRDGMHXEB-NWDGAFQWSA-N 0 3 239.315 0.739 20 0 BCADHN C[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)[C@@H](C)CN1 ZINC000335476506 386701982 /nfs/dbraw/zinc/70/19/82/386701982.db2.gz CQVHMSBQVZEWTC-ZJUUUORDSA-N 0 3 248.330 0.652 20 0 BCADHN CC(C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000457401085 386703111 /nfs/dbraw/zinc/70/31/11/386703111.db2.gz YWPUDFHRGYGPKQ-NSHDSACASA-N 0 3 243.351 0.541 20 0 BCADHN Cc1nnc(CN2CCN(C)[C@@H](C)[C@@H]2C)n1C ZINC000357048322 386704600 /nfs/dbraw/zinc/70/46/00/386704600.db2.gz ZNINBVODWATQOE-UWVGGRQHSA-N 0 3 237.351 0.648 20 0 BCADHN COC[C@H](CO)NC[C@H](CC(C)C)OC ZINC000639125087 386705663 /nfs/dbraw/zinc/70/56/63/386705663.db2.gz OLCMNMKZGDTIGP-QWRGUYRKSA-N 0 3 219.325 0.644 20 0 BCADHN Cn1nccc1CN[C@H]1CCc2c[nH]nc2C1 ZINC000335480791 386707555 /nfs/dbraw/zinc/70/75/55/386707555.db2.gz RBBCMRPQJDCTIC-JTQLQIEISA-N 0 3 231.303 0.790 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@H]1CCCC[C@H]1O ZINC000647958448 386708036 /nfs/dbraw/zinc/70/80/36/386708036.db2.gz XTIBKJXAWLTJHJ-VXGBXAGGSA-N 0 3 242.363 0.981 20 0 BCADHN CN(C)CCNC(=O)c1c[nH]nc1C(C)(C)C ZINC000292830737 386732298 /nfs/dbraw/zinc/73/22/98/386732298.db2.gz YUXSUXGGYZVJHT-UHFFFAOYSA-N 0 3 238.335 0.999 20 0 BCADHN Cn1nccc1CNC[C@H](CO)[C@H]1CCOC1 ZINC000520686608 386735280 /nfs/dbraw/zinc/73/52/80/386735280.db2.gz MPXGWSSDZIURPW-WDEREUQCSA-N 0 3 239.319 0.155 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)N)C[C@H](C)O1 ZINC000335534913 386736931 /nfs/dbraw/zinc/73/69/31/386736931.db2.gz VCLCSEZPVAWRKO-AYMMMOKOSA-N 0 3 214.309 0.796 20 0 BCADHN Cc1c(CN2CC[C@](C)(O)C2)cnn1C ZINC000269044412 386740829 /nfs/dbraw/zinc/74/08/29/386740829.db2.gz WEVUDEVQXZBSDP-NSHDSACASA-N 0 3 209.293 0.685 20 0 BCADHN CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)CCN)C1 ZINC000121753194 386713246 /nfs/dbraw/zinc/71/32/46/386713246.db2.gz ZAOSLYWIVPZTMV-IEVXNVSRSA-N 0 3 246.376 0.531 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@@H]([C@H](C)O)C1)N(C)C ZINC000357094344 386714889 /nfs/dbraw/zinc/71/48/89/386714889.db2.gz MDSIZSUZGZTQHA-QJPTWQEYSA-N 0 3 242.363 0.802 20 0 BCADHN CO[C@@]1(C)C[C@H](NC(=O)CN)C1(C)C ZINC000121683079 386715214 /nfs/dbraw/zinc/71/52/14/386715214.db2.gz CKDAYEYPKKKYJP-XVKPBYJWSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@@H](O)CN1CCC[C@H](N2CCCC2=O)C1 ZINC000335540341 386720401 /nfs/dbraw/zinc/72/04/01/386720401.db2.gz TXXJHBHWFOYIGC-MNOVXSKESA-N 0 3 226.320 0.454 20 0 BCADHN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H](C)N ZINC000121808465 386723472 /nfs/dbraw/zinc/72/34/72/386723472.db2.gz QYVZZAIFPLTGLV-AXFHLTTASA-N 0 3 228.336 0.901 20 0 BCADHN CN1CCC[C@H](N2CC[C@@H](n3cccn3)C2)C1=O ZINC000643396349 386723477 /nfs/dbraw/zinc/72/34/77/386723477.db2.gz CQLSUPAFGWDBNF-NEPJUHHUSA-N 0 3 248.330 0.751 20 0 BCADHN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@@H](C)N ZINC000121809964 386724446 /nfs/dbraw/zinc/72/44/46/386724446.db2.gz QYVZZAIFPLTGLV-VWYCJHECSA-N 0 3 228.336 0.901 20 0 BCADHN CCSCCN(CCO)CCOC ZINC000121789224 386724630 /nfs/dbraw/zinc/72/46/30/386724630.db2.gz WIIRDOUSQGYNED-UHFFFAOYSA-N 0 3 207.339 0.680 20 0 BCADHN Cc1nc(C(=O)NC[C@H](C)N(C)C)c(C)o1 ZINC000292772798 386725871 /nfs/dbraw/zinc/72/58/71/386725871.db2.gz STZFQGPHEZGEAC-ZETCQYMHSA-N 0 3 225.292 0.971 20 0 BCADHN Cn1nncc1CNCC1CCOCC1 ZINC000129738534 386726915 /nfs/dbraw/zinc/72/69/15/386726915.db2.gz LIZCKMKSQVVPBQ-UHFFFAOYSA-N 0 3 210.281 0.331 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)COCCOC ZINC000442826813 386727820 /nfs/dbraw/zinc/72/78/20/386727820.db2.gz XYUMCZJXNZUJHG-MXWKQRLJSA-N 0 3 246.351 0.528 20 0 BCADHN C[C@@H](CCO)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000330480105 386730062 /nfs/dbraw/zinc/73/00/62/386730062.db2.gz MWGPGUPVJUVXLO-GARJFASQSA-N 0 3 228.336 0.746 20 0 BCADHN NS(=O)(=O)[C@@H]1CCN(CCCCCF)C1 ZINC000330512608 386745280 /nfs/dbraw/zinc/74/52/80/386745280.db2.gz BUWDVKJWBCGLRX-SECBINFHSA-N 0 3 238.328 0.489 20 0 BCADHN O=C(NCCN1CCCC1)c1n[nH]c2c1CCC2 ZINC000344807934 386769318 /nfs/dbraw/zinc/76/93/18/386769318.db2.gz JTFFNZAVRYAKRC-UHFFFAOYSA-N 0 3 248.330 0.724 20 0 BCADHN Cc1noc(C)c1CCNC(=O)[C@H](N)C(C)C ZINC000269063354 386746344 /nfs/dbraw/zinc/74/63/44/386746344.db2.gz XMWIYEGOTGXRIR-LLVKDONJSA-N 0 3 239.319 0.933 20 0 BCADHN O=C1CC[C@@H]2CN(CC3CCOCC3)CCN12 ZINC000334151734 386748119 /nfs/dbraw/zinc/74/81/19/386748119.db2.gz SCSASECCZGZBTO-GFCCVEGCSA-N 0 3 238.331 0.720 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccnc(N(C)C)c1 ZINC000269263030 386769450 /nfs/dbraw/zinc/76/94/50/386769450.db2.gz NQXXTCUQEHWWHE-VIFPVBQESA-N 0 3 222.292 0.823 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000648065937 386755556 /nfs/dbraw/zinc/75/55/56/386755556.db2.gz SWWHMEDVMFFGJU-GRYCIOLGSA-N 0 3 239.363 0.694 20 0 BCADHN CCC[C@H](C)N(C)CC(=O)N1CCN(C)CC1 ZINC000357305732 386755732 /nfs/dbraw/zinc/75/57/32/386755732.db2.gz KSJBQSBAVKFFDP-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H]2NCC2(C)C)CCO1 ZINC000645335333 386758552 /nfs/dbraw/zinc/75/85/52/386758552.db2.gz YTWIDFWQTRNIPZ-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NCc1cncn1C ZINC000344842837 386759518 /nfs/dbraw/zinc/75/95/18/386759518.db2.gz WEGQYDMXURHZDQ-MFKMUULPSA-N 0 3 234.347 0.992 20 0 BCADHN Cc1cnn(C)c1CNCCCc1cnn(C)n1 ZINC000292992824 386760891 /nfs/dbraw/zinc/76/08/91/386760891.db2.gz OETQSALDYIXAGH-UHFFFAOYSA-N 0 3 248.334 0.579 20 0 BCADHN C[C@@H](O)CN(CCOC(C)(C)C)[C@@H](C)CO ZINC000190906458 386761592 /nfs/dbraw/zinc/76/15/92/386761592.db2.gz LELIQUAJKSRCQG-WDEREUQCSA-N 0 3 233.352 0.865 20 0 BCADHN C[C@H](NC[C@@H]1CC[C@H](CO)O1)c1ccnn1C ZINC000340409457 386761852 /nfs/dbraw/zinc/76/18/52/386761852.db2.gz BBRXJZNALIMPKF-GARJFASQSA-N 0 3 239.319 0.611 20 0 BCADHN Cn1ncc(CCCNCc2ccnn2C)n1 ZINC000292992714 386761942 /nfs/dbraw/zinc/76/19/42/386761942.db2.gz OCFZAQMKGMHOHW-UHFFFAOYSA-N 0 3 234.307 0.271 20 0 BCADHN CC(C)N(CC(=O)N(C)C)C[C@H](C)O ZINC000340786170 386764099 /nfs/dbraw/zinc/76/40/99/386764099.db2.gz YTBCBSWELRCZIA-VIFPVBQESA-N 0 3 202.298 0.166 20 0 BCADHN Cc1nocc1CN[C@@H]1CCCN(CCO)C1 ZINC000645153927 386766817 /nfs/dbraw/zinc/76/68/17/386766817.db2.gz UXIXNUTXCXVOOP-GFCCVEGCSA-N 0 3 239.319 0.529 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccc(CO)c(F)c1 ZINC000269048209 386742130 /nfs/dbraw/zinc/74/21/30/386742130.db2.gz OSKNJQWBYKCBFM-SSDOTTSWSA-N 0 3 226.251 0.281 20 0 BCADHN CC(C)N(C)C(=O)C1CCN(CCO)CC1 ZINC000340861411 386789580 /nfs/dbraw/zinc/78/95/80/386789580.db2.gz CNBUAFMMWWBBQZ-UHFFFAOYSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H](Cn1cccn1)NCC(=O)NCC(F)F ZINC000340851708 386790465 /nfs/dbraw/zinc/79/04/65/386790465.db2.gz SBOQFYHBVNNXLU-QMMMGPOBSA-N 0 3 246.261 0.243 20 0 BCADHN CN(C)CCN(C)c1nc(C(N)=O)cs1 ZINC000293217416 386790780 /nfs/dbraw/zinc/79/07/80/386790780.db2.gz VHCJHTBKSXFVSW-UHFFFAOYSA-N 0 3 228.321 0.240 20 0 BCADHN CC(C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)S(C)(=O)=O ZINC000428076926 386791508 /nfs/dbraw/zinc/79/15/08/386791508.db2.gz CSJNKBRRLZKZDV-LURQLKTLSA-N 0 3 231.317 0.334 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NCc1cnnn1C ZINC000344890641 386793010 /nfs/dbraw/zinc/79/30/10/386793010.db2.gz OPLRBIBYEOHITF-BXKDBHETSA-N 0 3 235.335 0.387 20 0 BCADHN Cc1cnc([C@@H](C)NC(=O)[C@@H](C)N)s1 ZINC000125314484 386793605 /nfs/dbraw/zinc/79/36/05/386793605.db2.gz DZLUBYOLGHKODS-RNFRBKRXSA-N 0 3 213.306 0.976 20 0 BCADHN CC(C)(C)NC(=O)CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125342648 386796108 /nfs/dbraw/zinc/79/61/08/386796108.db2.gz AMSIYPHDHRXKMB-AXFHLTTASA-N 0 3 240.347 0.604 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](C)O ZINC000192444891 386771470 /nfs/dbraw/zinc/77/14/70/386771470.db2.gz OOBFIAPIJDUORF-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN Cn1cc(CCN2CC[C@H](NC(N)=O)C2)cn1 ZINC000330530821 386778708 /nfs/dbraw/zinc/77/87/08/386778708.db2.gz RVCHBVHUWQAPOX-JTQLQIEISA-N 0 3 237.307 0.119 20 0 BCADHN C[C@H](CC(N)=O)NCc1cccc2c[nH]nc21 ZINC000344898630 386796448 /nfs/dbraw/zinc/79/64/48/386796448.db2.gz RXRHBENUYWITPX-MRVPVSSYSA-N 0 3 232.287 0.916 20 0 BCADHN CC(C(=O)N[C@H]1CCC[C@@H]1F)S(C)(=O)=O ZINC000340807203 386779601 /nfs/dbraw/zinc/77/96/01/386779601.db2.gz WNSMWFARRHXQBC-CSMHCCOUSA-N 0 3 237.296 0.426 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCCN1C)N(C)C1CC1 ZINC000340814217 386780342 /nfs/dbraw/zinc/78/03/42/386780342.db2.gz HJCGZEVSFMLLOW-PWSUYJOCSA-N 0 3 239.363 0.680 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C)N(C)C1CC1 ZINC000340814213 386780559 /nfs/dbraw/zinc/78/05/59/386780559.db2.gz HJCGZEVSFMLLOW-JQWIXIFHSA-N 0 3 239.363 0.680 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1cc(C=O)c[nH]1 ZINC000293163951 386783081 /nfs/dbraw/zinc/78/30/81/386783081.db2.gz OVTDPXYFUGUMDL-NSHDSACASA-N 0 3 249.314 0.993 20 0 BCADHN CSCC[C@@H](O)C(=O)NC1CCN(C)CC1 ZINC000330542992 386783483 /nfs/dbraw/zinc/78/34/83/386783483.db2.gz IWBZEQIMARRWHO-SNVBAGLBSA-N 0 3 246.376 0.311 20 0 BCADHN CN1CCC(N(CCO)Cc2cc[nH]n2)CC1 ZINC000269348033 386783848 /nfs/dbraw/zinc/78/38/48/386783848.db2.gz IZYWUMGJXPYWSR-UHFFFAOYSA-N 0 3 238.335 0.298 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@@H]1CCCOC1)N(C)C ZINC000340837959 386784925 /nfs/dbraw/zinc/78/49/25/386784925.db2.gz GZAQERNSTHCZRN-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CCC1(CNC(=O)NCCNCCOC)CC1 ZINC000417826663 386785076 /nfs/dbraw/zinc/78/50/76/386785076.db2.gz CJCLKHMOGJWKLJ-UHFFFAOYSA-N 0 3 243.351 0.712 20 0 BCADHN CC[C@](C)(O)CN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408444781 386786012 /nfs/dbraw/zinc/78/60/12/386786012.db2.gz WCFWCVITTBHXIS-QWRGUYRKSA-N 0 3 249.376 0.514 20 0 BCADHN CC(C)CC(=O)N[C@H](CO)CN1CCCCC1 ZINC000330612744 386786662 /nfs/dbraw/zinc/78/66/62/386786662.db2.gz RHTKENDTQKQBKK-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](C)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000330611500 386788246 /nfs/dbraw/zinc/78/82/46/386788246.db2.gz PUYIVJIHQZHBRN-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](O)CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000192520885 386789114 /nfs/dbraw/zinc/78/91/14/386789114.db2.gz CGOGWJGIUYIQQZ-AEJSXWLSSA-N 0 3 241.335 0.292 20 0 BCADHN C[C@H](N[C@H]1CCSC1)C(=O)NCCF ZINC000336672108 386816994 /nfs/dbraw/zinc/81/69/94/386816994.db2.gz ZPISIONSLUUSSV-YUMQZZPRSA-N 0 3 220.313 0.556 20 0 BCADHN COC[C@H](C)N(C)C(=O)NC[C@@H]1CCCN1C ZINC000339939446 386818933 /nfs/dbraw/zinc/81/89/33/386818933.db2.gz LRRSULVSHOLIPS-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN O[C@@H]1CN(CCCC2CCOCC2)C[C@@H]1O ZINC000408447637 386820781 /nfs/dbraw/zinc/82/07/81/386820781.db2.gz ZKYMJBYFRPTVHX-TXEJJXNPSA-N 0 3 229.320 0.231 20 0 BCADHN CC(C)[C@@](C)(CO)NCC(=O)NCC1CCC1 ZINC000352877094 386822062 /nfs/dbraw/zinc/82/20/62/386822062.db2.gz AGEJMPQROPYQKG-CYBMUJFWSA-N 0 3 242.363 0.899 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CC[C@@H](C)O2)C[C@H]1O ZINC000395362874 386822875 /nfs/dbraw/zinc/82/28/75/386822875.db2.gz JUAOPYRWCHPXMO-LMLFDSFASA-N 0 3 215.293 0.245 20 0 BCADHN Cc1cc(CNCC2(CO)CCC2)n(C)n1 ZINC000418002296 386823368 /nfs/dbraw/zinc/82/33/68/386823368.db2.gz MDCLJOFNGDTKLC-UHFFFAOYSA-N 0 3 223.320 0.981 20 0 BCADHN O=C(NCc1ccc(F)cn1)[C@@H]1CCCCN1 ZINC000334773782 386823872 /nfs/dbraw/zinc/82/38/72/386823872.db2.gz XPRTYJBXAOJDFR-NSHDSACASA-N 0 3 237.278 0.979 20 0 BCADHN C[C@H](NC[C@@]1(O)CCSC1)c1ccnn1C ZINC000192927223 386797747 /nfs/dbraw/zinc/79/77/47/386797747.db2.gz DVWVJTNVSCFPFM-ONGXEEELSA-N 0 3 241.360 0.939 20 0 BCADHN CS[C@H]1CN(Cc2c[nH]cn2)C[C@@H]1N(C)C ZINC000280293814 386801654 /nfs/dbraw/zinc/80/16/54/386801654.db2.gz UWMVKZJGTQFTJH-QWRGUYRKSA-N 0 3 240.376 0.887 20 0 BCADHN CCN(C)CCNC(=O)CCc1cnccn1 ZINC000280327570 386805443 /nfs/dbraw/zinc/80/54/43/386805443.db2.gz ZQLNSLXZOLBUMU-UHFFFAOYSA-N 0 3 236.319 0.477 20 0 BCADHN CO[C@@H]1CN(CCCSC)C[C@H]1O ZINC000395286977 386805887 /nfs/dbraw/zinc/80/58/87/386805887.db2.gz LBGNPZPXMNJRRX-RKDXNWHRSA-N 0 3 205.323 0.431 20 0 BCADHN CC(C)OCCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000417995464 386806237 /nfs/dbraw/zinc/80/62/37/386806237.db2.gz AYZHKMLPRQXMJB-QWRGUYRKSA-N 0 3 243.351 0.803 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CC[C@@H](CO)CC1)N(C)C ZINC000101801774 386807103 /nfs/dbraw/zinc/80/71/03/386807103.db2.gz QFUPKWNTRAXQGV-SRVKXCTJSA-N 0 3 242.363 0.994 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CCC(C)(C)O2)C[C@H]1O ZINC000395306337 386808893 /nfs/dbraw/zinc/80/88/93/386808893.db2.gz XPLCANPETLPESB-GMTAPVOTSA-N 0 3 229.320 0.636 20 0 BCADHN CCN(CCOC)C(=O)NC[C@@H]1CCCN1C ZINC000339934626 386809946 /nfs/dbraw/zinc/80/99/46/386809946.db2.gz WGAGUTJZFHIITH-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)N2CCNCC2)CCCN1C ZINC000417993718 386809986 /nfs/dbraw/zinc/80/99/86/386809986.db2.gz BAKRDTIDCZEWMW-MNOVXSKESA-N 0 3 240.351 0.084 20 0 BCADHN CC(C)(C)CNC(=O)C(C)(C)NCCCO ZINC000336671205 386811695 /nfs/dbraw/zinc/81/16/95/386811695.db2.gz NRXKLPFAFRMOIT-UHFFFAOYSA-N 0 3 230.352 0.899 20 0 BCADHN CO[C@@H]1CN(C[C@@H](O)CC2CCCC2)C[C@H]1O ZINC000395309819 386811949 /nfs/dbraw/zinc/81/19/49/386811949.db2.gz ZMRHHWOUEATNMS-YNEHKIRRSA-N 0 3 243.347 0.619 20 0 BCADHN CN1CCC[C@H](N2CCC[C@](C)(O)CC2)C1=O ZINC000526076808 386813183 /nfs/dbraw/zinc/81/31/83/386813183.db2.gz WVMBBOGJCSWNCR-AAEUAGOBSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H](CCC(C)(C)C)NC(=O)C(=O)NCCN ZINC000395335143 386814785 /nfs/dbraw/zinc/81/47/85/386814785.db2.gz VSOSQMSDPIHUKR-VIFPVBQESA-N 0 3 243.351 0.392 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCCC(=O)NC ZINC000398384886 386815641 /nfs/dbraw/zinc/81/56/41/386815641.db2.gz IKMVXROFPVKISK-NSHDSACASA-N 0 3 229.324 0.146 20 0 BCADHN CO[C@@H]1CN(CCn2nc(C)cc2C)C[C@H]1O ZINC000395417577 386829410 /nfs/dbraw/zinc/82/94/10/386829410.db2.gz ISWQZUKIGUAIST-VXGBXAGGSA-N 0 3 239.319 0.191 20 0 BCADHN CCCCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000357724811 386834288 /nfs/dbraw/zinc/83/42/88/386834288.db2.gz CQRBJYDCGLUWAQ-GFCCVEGCSA-N 0 3 243.351 0.542 20 0 BCADHN CCN[C@H](C)C(=O)NCc1cccc(CO)c1 ZINC000637981082 386834423 /nfs/dbraw/zinc/83/44/23/386834423.db2.gz OOQBWEVRQSQBRB-SNVBAGLBSA-N 0 3 236.315 0.793 20 0 BCADHN CN(C)CCNC(=O)[C@@]1(C)CCCOC1 ZINC000357721092 386834689 /nfs/dbraw/zinc/83/46/89/386834689.db2.gz JHILWPGPPZVMOW-NSHDSACASA-N 0 3 214.309 0.481 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1CC[C@H](C)[C@@H]1C ZINC000248370826 386835544 /nfs/dbraw/zinc/83/55/44/386835544.db2.gz XZRVCUVZHYGJEB-CIUDSAMLSA-N 0 3 227.308 0.561 20 0 BCADHN CC(=O)N1CCN(C[C@@H](O)C(C)(C)C)[C@H](C)C1 ZINC000334783342 386839033 /nfs/dbraw/zinc/83/90/33/386839033.db2.gz JODHJULRMNYYCD-ZYHUDNBSSA-N 0 3 242.363 0.946 20 0 BCADHN CCN1CC[C@H]2OCCN(C[C@@H](C)CO)[C@H]2C1 ZINC000645178473 386844398 /nfs/dbraw/zinc/84/43/98/386844398.db2.gz OAZHDPXHGVTQBN-FRRDWIJNSA-N 0 3 242.363 0.410 20 0 BCADHN CC[C@H](COC)N[C@H](C)C(=O)N(C)CC ZINC000188499162 386845334 /nfs/dbraw/zinc/84/53/34/386845334.db2.gz LNPARBKPAZUZRV-NXEZZACHSA-N 0 3 216.325 0.868 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1ccncc1 ZINC000645184690 386848633 /nfs/dbraw/zinc/84/86/33/386848633.db2.gz BAKGSJHNSYFITL-SNVBAGLBSA-N 0 3 219.288 0.696 20 0 BCADHN CN(c1ncnc2n[nH]cc21)[C@@H]1CCCN(C)C1 ZINC000301501072 386850218 /nfs/dbraw/zinc/85/02/18/386850218.db2.gz XBYXKZHZKXGNMJ-SECBINFHSA-N 0 3 246.318 0.883 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCc1cccnc1 ZINC000645186057 386850366 /nfs/dbraw/zinc/85/03/66/386850366.db2.gz VSQYOEBRMYBYHX-JTQLQIEISA-N 0 3 219.288 0.696 20 0 BCADHN CN(C)CCNC(=O)[C@H]1COc2ccccc2C1 ZINC000015786099 386851343 /nfs/dbraw/zinc/85/13/43/386851343.db2.gz MFYPTVCMMAPDAS-GFCCVEGCSA-N 0 3 248.326 0.916 20 0 BCADHN COC[C@H](CO)N[C@@H]1CC[C@@H]1SC ZINC000425336511 386851563 /nfs/dbraw/zinc/85/15/63/386851563.db2.gz LIPQLOOLCRSSND-YIZRAAEISA-N 0 3 205.323 0.477 20 0 BCADHN CN(C)C(=O)CN(C)C1CCOCC1 ZINC000349612224 386893099 /nfs/dbraw/zinc/89/30/99/386893099.db2.gz AITKLMTZCZCTBO-UHFFFAOYSA-N 0 3 200.282 0.185 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000331753721 386893589 /nfs/dbraw/zinc/89/35/89/386893589.db2.gz CLWMXEXYUHXOAU-ZWNOBZJWSA-N 0 3 242.363 0.992 20 0 BCADHN C[C@@]1(CO)CCC[C@H]1NCC(=O)NCC1CC1 ZINC000331434931 386854702 /nfs/dbraw/zinc/85/47/02/386854702.db2.gz GNOJVFUNDIWVOS-YPMHNXCESA-N 0 3 240.347 0.653 20 0 BCADHN CC[C@]1(O)CCN([C@@H]2CCCNC2=O)C1 ZINC000334790992 386855466 /nfs/dbraw/zinc/85/54/66/386855466.db2.gz YZXDAVXPYIUNMV-KOLCDFICSA-N 0 3 212.293 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CSCCCNC(=O)NC[C@H](C)N(C)C ZINC000454528865 386859728 /nfs/dbraw/zinc/85/97/28/386859728.db2.gz UZWLSWSPNFVEKO-VIFPVBQESA-N 0 3 233.381 0.989 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@@H](O)C(C)C ZINC000349542933 386863443 /nfs/dbraw/zinc/86/34/43/386863443.db2.gz OBASZDPIDKYVKR-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1ccnc(C(=O)NCCN(C)C2CC2)n1 ZINC000331503037 386863975 /nfs/dbraw/zinc/86/39/75/386863975.db2.gz KQAXTOAQRPEKSJ-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN CC(C)N(C)CC(=O)NCc1ccncn1 ZINC000341250922 386868247 /nfs/dbraw/zinc/86/82/47/386868247.db2.gz RDRJJVJXIVBAAG-UHFFFAOYSA-N 0 3 222.292 0.433 20 0 BCADHN CS[C@H]1CC[C@@H]1NCCNS(C)(=O)=O ZINC000425350890 386869118 /nfs/dbraw/zinc/86/91/18/386869118.db2.gz GMMIXJWWZBLFRJ-YUMQZZPRSA-N 0 3 238.378 0.019 20 0 BCADHN CCN(CC1(C(=O)OC)CC1)[C@@H]1CCNC1=O ZINC000331563913 386869964 /nfs/dbraw/zinc/86/99/64/386869964.db2.gz XNTWXXPLEDDEHF-SECBINFHSA-N 0 3 240.303 0.150 20 0 BCADHN C[C@H](NC(=O)[C@H]1CCCO1)C1=CCN(C)CC1 ZINC000334832423 386871295 /nfs/dbraw/zinc/87/12/95/386871295.db2.gz CHUAHSJVJDLPLR-CMPLNLGQSA-N 0 3 238.331 0.932 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000052009817 386873873 /nfs/dbraw/zinc/87/38/73/386873873.db2.gz MFRXEGSVEZFHKC-IVZWLZJFSA-N 0 3 246.376 0.487 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000330744109 386878188 /nfs/dbraw/zinc/87/81/88/386878188.db2.gz CXWQJNVVMMCHOL-RKDXNWHRSA-N 0 3 243.307 0.089 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)C1CCOCC1 ZINC000161930363 386878189 /nfs/dbraw/zinc/87/81/89/386878189.db2.gz GBZZIBOHTVKSQE-WPRPVWTQSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@@H](NC[C@H]1CC[C@@H](CO)O1)c1cnn(C)c1 ZINC000293809723 386881078 /nfs/dbraw/zinc/88/10/78/386881078.db2.gz VOWKPRWSBBHOSR-JLLWLGSASA-N 0 3 239.319 0.611 20 0 BCADHN C[C@H](N[C@@H]1CN(C)C[C@@H]1C)C(=O)NC(C)(C)C ZINC000358034697 386883007 /nfs/dbraw/zinc/88/30/07/386883007.db2.gz HWEMZGVTUIEKKQ-GARJFASQSA-N 0 3 241.379 0.829 20 0 BCADHN CO[C@H]1CCN([C@H](C)C(=O)N(C)C)C1 ZINC000335755785 386883243 /nfs/dbraw/zinc/88/32/43/386883243.db2.gz YOAVFSPRSLVTKQ-BDAKNGLRSA-N 0 3 200.282 0.184 20 0 BCADHN CC[C@@H](C(=O)NC1(C(=O)OC)CC1)N(C)C ZINC000331739478 386886161 /nfs/dbraw/zinc/88/61/61/386886161.db2.gz DXDXVIXCCNMRJL-QMMMGPOBSA-N 0 3 228.292 0.148 20 0 BCADHN C[C@H](C(=O)NC[C@@]1(O)CCN(C)C1)C1CC1 ZINC000358059515 386886463 /nfs/dbraw/zinc/88/64/63/386886463.db2.gz DMHGIHQNHAYSNO-CABZTGNLSA-N 0 3 226.320 0.215 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC(C)(O)CC1 ZINC000335759345 386887651 /nfs/dbraw/zinc/88/76/51/386887651.db2.gz XBVHAJBBHLQBJO-UHFFFAOYSA-N 0 3 228.336 0.700 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)N(C)C1CCN(C)CC1 ZINC000334842933 386888404 /nfs/dbraw/zinc/88/84/04/386888404.db2.gz FGRRDQIIXXJQDL-CYBMUJFWSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](O)CC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000331740814 386888438 /nfs/dbraw/zinc/88/84/38/386888438.db2.gz AKMSKBHMWHPFFF-NHCYSSNCSA-N 0 3 240.347 0.889 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H](F)C1)N(C)C ZINC000334842426 386888595 /nfs/dbraw/zinc/88/85/95/386888595.db2.gz SURGPUTWQVCNEK-BDAKNGLRSA-N 0 3 202.273 0.897 20 0 BCADHN COC[C@H]1CCN([C@H](C)C(=O)N(C)C)C1 ZINC000352887530 386889061 /nfs/dbraw/zinc/88/90/61/386889061.db2.gz YEXNTNWQCPBNTE-ZJUUUORDSA-N 0 3 214.309 0.431 20 0 BCADHN CS[C@H](C)CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358082806 386889438 /nfs/dbraw/zinc/88/94/38/386889438.db2.gz UJOMRXFUJYOSLM-KOLCDFICSA-N 0 3 246.376 0.311 20 0 BCADHN CCCCCN1CCC[C@@H]1CS(N)(=O)=O ZINC000330796592 386890015 /nfs/dbraw/zinc/89/00/15/386890015.db2.gz BIGJYIVBZUIZQD-SNVBAGLBSA-N 0 3 234.365 0.930 20 0 BCADHN Cc1occc1CN1CCC[C@@](O)(CO)C1 ZINC000334843263 386890087 /nfs/dbraw/zinc/89/00/87/386890087.db2.gz OSRDVJYDRKXCPK-LBPRGKRZSA-N 0 3 225.288 0.907 20 0 BCADHN C[C@H](O)CCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000331827651 386914329 /nfs/dbraw/zinc/91/43/29/386914329.db2.gz ZLZQTRNQGGEFQL-ONGXEEELSA-N 0 3 226.320 0.500 20 0 BCADHN C[C@H](NC[C@@]1(O)CCN(C)C1)c1ccccn1 ZINC000358226325 386915163 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/nfs/dbraw/zinc/90/26/76/386902676.db2.gz AXLDSMJUKLZEPF-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN Cc1nnc(NC(=O)[C@@H]2CN(C)C[C@@H]2C)s1 ZINC000341450662 386906520 /nfs/dbraw/zinc/90/65/20/386906520.db2.gz INDBWDYMOYGNTF-POYBYMJQSA-N 0 3 240.332 0.983 20 0 BCADHN CC1(C(=O)N[C@H](CO)CN2CCCCC2)CC1 ZINC000331795801 386908551 /nfs/dbraw/zinc/90/85/51/386908551.db2.gz DGWIAVJLLFOPLE-NSHDSACASA-N 0 3 240.347 0.750 20 0 BCADHN CCN(CCO)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331813245 386910209 /nfs/dbraw/zinc/91/02/09/386910209.db2.gz XWJHGIMGIPJIRW-SNVBAGLBSA-N 0 3 241.335 0.247 20 0 BCADHN CCN(CCO)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331813243 386910740 /nfs/dbraw/zinc/91/07/40/386910740.db2.gz XWJHGIMGIPJIRW-JTQLQIEISA-N 0 3 241.335 0.247 20 0 BCADHN CC[C@H](O)CC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000331818675 386912087 /nfs/dbraw/zinc/91/20/87/386912087.db2.gz YWFCSTQTSPHHPN-ADEWGFFLSA-N 0 3 240.347 0.746 20 0 BCADHN CN(C)c1nccnc1N1CC(N(C)C)C1 ZINC000302190385 386912422 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/nfs/dbraw/zinc/93/50/29/386935029.db2.gz XJGVBYLOTUTRHR-UHFFFAOYSA-N 0 3 224.308 0.513 20 0 BCADHN Cc1oncc1CN1CC[C@@H](CC(N)=O)C1 ZINC000367309062 386935160 /nfs/dbraw/zinc/93/51/60/386935160.db2.gz SZUAMGIUEMKWCV-VIFPVBQESA-N 0 3 223.276 0.680 20 0 BCADHN CC(C)[C@]1(CO)CCN(CCn2cncn2)C1 ZINC000368068698 386936924 /nfs/dbraw/zinc/93/69/24/386936924.db2.gz JIRMPBUGZMYBEE-GFCCVEGCSA-N 0 3 238.335 0.619 20 0 BCADHN CO[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000368112180 386941369 /nfs/dbraw/zinc/94/13/69/386941369.db2.gz BZOKXNFMWKQCQH-AXTSPUMRSA-N 0 3 230.283 0.370 20 0 BCADHN CN(CCOCC1CCC1)CCC(N)=O ZINC000341675092 386941703 /nfs/dbraw/zinc/94/17/03/386941703.db2.gz NKWUSVVATSKZGP-UHFFFAOYSA-N 0 3 214.309 0.610 20 0 BCADHN CCN(CCC1(O)CCC1)[C@H]1CCNC1=O ZINC000332020720 386942854 /nfs/dbraw/zinc/94/28/54/386942854.db2.gz LWKNKSKZWCMJNG-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@@](C)(O)C1 ZINC000514601072 387007082 /nfs/dbraw/zinc/00/70/82/387007082.db2.gz XMCZEOYIGMVSSO-LLVKDONJSA-N 0 3 229.324 0.151 20 0 BCADHN C[C@H](CC(N)=O)N[C@H](CO)c1ccsc1 ZINC000336763291 386955063 /nfs/dbraw/zinc/95/50/63/386955063.db2.gz OYBMGGRDKLSZAB-VXNVDRBHSA-N 0 3 228.317 0.635 20 0 BCADHN CCN1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000334824818 386955716 /nfs/dbraw/zinc/95/57/16/386955716.db2.gz QOVBACVURJWNEP-QMMMGPOBSA-N 0 3 208.265 0.234 20 0 BCADHN CC[C@@H](C(=O)NCc1ncnn1CC)N(C)C ZINC000331084577 386955760 /nfs/dbraw/zinc/95/57/60/386955760.db2.gz QDSWMSAAHDBFAT-VIFPVBQESA-N 0 3 239.323 0.254 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000334824816 386957048 /nfs/dbraw/zinc/95/70/48/386957048.db2.gz QOVBACVURJWNEP-MRVPVSSYSA-N 0 3 208.265 0.234 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1C=C[C@@H](CO)C1)N(C)C ZINC000341734587 386957194 /nfs/dbraw/zinc/95/71/94/386957194.db2.gz XBWACRIWUKMSEB-GRYCIOLGSA-N 0 3 240.347 0.626 20 0 BCADHN CN(CCO)C(=O)C12CCCN1CCC2 ZINC000334885502 386959307 /nfs/dbraw/zinc/95/93/07/386959307.db2.gz KBWZHOLFAOPQJR-UHFFFAOYSA-N 0 3 212.293 0.066 20 0 BCADHN COC[C@@H](O)CN[C@H]1CCCc2nn(C)cc21 ZINC000358758948 387007301 /nfs/dbraw/zinc/00/73/01/387007301.db2.gz SHZLOMYIFQUIMV-ONGXEEELSA-N 0 3 239.319 0.394 20 0 BCADHN O=C1NCC[C@@H]1N1CCC(C2CC2)CC1 ZINC000368337318 386962795 /nfs/dbraw/zinc/96/27/95/386962795.db2.gz SXYDYOKGEOHVMF-NSHDSACASA-N 0 3 208.305 0.997 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)CC1CC1 ZINC000358492111 386964585 /nfs/dbraw/zinc/96/45/85/386964585.db2.gz FTZQHGHDUZTYCE-VIFPVBQESA-N 0 3 213.325 0.988 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@]1(C)CCO[C@@H]1C ZINC000358490118 386965038 /nfs/dbraw/zinc/96/50/38/386965038.db2.gz CTXAGVVSTCZYDS-CKYFFXLPSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CC[C@H](CO)[C@H]1C ZINC000358490041 386965088 /nfs/dbraw/zinc/96/50/88/386965088.db2.gz CKCKVGKMAWALNI-GMTAPVOTSA-N 0 3 243.351 0.349 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)C(N)C(F)(F)F ZINC000352910159 386966612 /nfs/dbraw/zinc/96/66/12/386966612.db2.gz FXAFZHPYWIDWMK-RQJHMYQMSA-N 0 3 242.241 0.399 20 0 BCADHN CCC[C@H](O)CNC(=O)N[C@H](C)CN(C)C ZINC000358501040 386966778 /nfs/dbraw/zinc/96/67/78/386966778.db2.gz NGJDTPZVPDXDOZ-ZJUUUORDSA-N 0 3 231.340 0.397 20 0 BCADHN CS[C@@H]1CC[C@H]1NCC(=O)N(C)C ZINC000425356036 386966805 /nfs/dbraw/zinc/96/68/05/386966805.db2.gz PCAUOZOTGWFEMG-HTQZYQBOSA-N 0 3 202.323 0.558 20 0 BCADHN CO[C@H](CN)C(=O)N(C[C@H](C)OC)C(C)C ZINC000352915391 386966865 /nfs/dbraw/zinc/96/68/65/386966865.db2.gz OQWRKVFAILRXTE-VHSXEESVSA-N 0 3 232.324 0.232 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)Cc1cc[nH]n1 ZINC000358494005 386967149 /nfs/dbraw/zinc/96/71/49/386967149.db2.gz HMRMIHCOHGPWFH-VIFPVBQESA-N 0 3 239.323 0.501 20 0 BCADHN CC[C@H](O)CCNC(=O)N[C@H](C)CN(C)C ZINC000358501036 386967160 /nfs/dbraw/zinc/96/71/60/386967160.db2.gz NFEXXCTZIULIQY-ZJUUUORDSA-N 0 3 231.340 0.397 20 0 BCADHN CCONC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000368379637 386967288 /nfs/dbraw/zinc/96/72/88/386967288.db2.gz GCDSVLRXKDAHIZ-VHSXEESVSA-N 0 3 227.308 0.674 20 0 BCADHN C[C@@]1(CNC(=O)C(N)C(F)(F)F)CCOC1 ZINC000352922420 386967764 /nfs/dbraw/zinc/96/77/64/386967764.db2.gz OQVKXRBCITVYTN-XPUUQOCRSA-N 0 3 240.225 0.419 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@@H](C)CCO ZINC000358502420 386967954 /nfs/dbraw/zinc/96/79/54/386967954.db2.gz PGROOQIATIGHMM-VHSXEESVSA-N 0 3 231.340 0.254 20 0 BCADHN CN(Cc1ccon1)C(=O)C(N)C(F)(F)F ZINC000352921344 386967921 /nfs/dbraw/zinc/96/79/21/386967921.db2.gz JDXHDNYXFGZAIF-LURJTMIESA-N 0 3 237.181 0.523 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H]1CO ZINC000358503498 386968711 /nfs/dbraw/zinc/96/87/11/386968711.db2.gz QKCPTEMRPUXSQX-VHSXEESVSA-N 0 3 229.324 0.103 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@@H](O)C1CC1 ZINC000358505926 386968828 /nfs/dbraw/zinc/96/88/28/386968828.db2.gz SUDXNARCFJMXQC-PSASIEDQSA-N 0 3 229.324 0.007 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)[C@@H]1CCOC1 ZINC000358523609 386973707 /nfs/dbraw/zinc/97/37/07/386973707.db2.gz LYGQXWLHFMSZPL-VHSXEESVSA-N 0 3 229.324 0.367 20 0 BCADHN CC[C@@H](CO)NC(=O)N[C@@H](C)CN(C)C ZINC000358523647 386974056 /nfs/dbraw/zinc/97/40/56/386974056.db2.gz SSPLKWGXVPHOAG-IUCAKERBSA-N 0 3 217.313 0.007 20 0 BCADHN COC(=O)CCN1CC[C@H](c2nc(C)no2)C1 ZINC000332386300 386974992 /nfs/dbraw/zinc/97/49/92/386974992.db2.gz HAVFPOISSGXXPK-VIFPVBQESA-N 0 3 239.275 0.730 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)C(N)C(F)(F)F ZINC000352970518 386976113 /nfs/dbraw/zinc/97/61/13/386976113.db2.gz ZZVJGLWWUKSARV-RRKCRQDMSA-N 0 3 242.241 0.399 20 0 BCADHN CCNC(=O)CN[C@@H]1CC[C@@H]1SC ZINC000425360759 386977401 /nfs/dbraw/zinc/97/74/01/386977401.db2.gz SWEOMWRLAASPQL-SFYZADRCSA-N 0 3 202.323 0.606 20 0 BCADHN COCC(C)(C)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000334904233 386977987 /nfs/dbraw/zinc/97/79/87/386977987.db2.gz ACBWLLLZQMUCHU-WDEREUQCSA-N 0 3 240.347 0.822 20 0 BCADHN CN(C)CCNC(=O)c1occ2c1CCOC2 ZINC000368490496 386978146 /nfs/dbraw/zinc/97/81/46/386978146.db2.gz OGFLKOOLTVQHIY-UHFFFAOYSA-N 0 3 238.287 0.644 20 0 BCADHN NC(C(=O)NCc1ccncc1)C(F)(F)F 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386987135 /nfs/dbraw/zinc/98/71/35/386987135.db2.gz CDQUIIBYXWHAOD-RKDXNWHRSA-N 0 3 232.324 0.137 20 0 BCADHN COC[C@@H](O)CN1CC[C@@H](COC(F)F)C1 ZINC000353009840 386987462 /nfs/dbraw/zinc/98/74/62/386987462.db2.gz RPRDBFSFFATTEM-BDAKNGLRSA-N 0 3 239.262 0.555 20 0 BCADHN C[C@@H](C(=O)NCCN(C)C)c1cncnc1 ZINC000331193850 386987980 /nfs/dbraw/zinc/98/79/80/386987980.db2.gz SGXSTTFWRUTUKG-SECBINFHSA-N 0 3 222.292 0.258 20 0 BCADHN CC(C)[C@H](O)CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000331215202 386989263 /nfs/dbraw/zinc/98/92/63/386989263.db2.gz NUVGLEBLXACLKW-IJLUTSLNSA-N 0 3 242.363 0.992 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H](C)CO)N1CCCCC1 ZINC000331212217 386989359 /nfs/dbraw/zinc/98/93/59/386989359.db2.gz JXRMPMOVZZBTNQ-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@@H](O)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000331215204 386990308 /nfs/dbraw/zinc/99/03/08/386990308.db2.gz NUVGLEBLXACLKW-TUAOUCFPSA-N 0 3 242.363 0.992 20 0 BCADHN CCN(CC(C)C)C(=O)C(C)S(C)(=O)=O ZINC000332523904 386990853 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UDTYWJBDWKGNLB-SSDOTTSWSA-N 0 3 221.251 0.645 20 0 BCADHN CS[C@H]1CC[C@@H]1N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000425378845 387031560 /nfs/dbraw/zinc/03/15/60/387031560.db2.gz KFIIYFQZHSKPRL-QEYWKRMJSA-N 0 3 249.401 0.903 20 0 BCADHN CC[C@H](O)CCCNC(=O)C(C)(C)N ZINC000336764026 387032137 /nfs/dbraw/zinc/03/21/37/387032137.db2.gz PTDQLJNRADGLRQ-QMMMGPOBSA-N 0 3 202.298 0.391 20 0 BCADHN CCSCC[C@@H](C)N(C)C(=O)[C@H](CN)OC ZINC000353055357 387033000 /nfs/dbraw/zinc/03/30/00/387033000.db2.gz ZSIFHRIMDNOEEB-ZJUUUORDSA-N 0 3 248.392 0.950 20 0 BCADHN Cn1nncc1CN1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333448675 387035601 /nfs/dbraw/zinc/03/56/01/387035601.db2.gz YAKHYZPOMJNWLW-NHCYSSNCSA-N 0 3 236.319 0.408 20 0 BCADHN CO[C@@H](CN(CC(N)=O)C(C)C)C1CC1 ZINC000425384961 387035720 /nfs/dbraw/zinc/03/57/20/387035720.db2.gz OMUCZGUKQOARDV-JTQLQIEISA-N 0 3 214.309 0.607 20 0 BCADHN C[C@H]1OCC[C@]12CN(CCCCO)CCO2 ZINC000369292613 387036099 /nfs/dbraw/zinc/03/60/99/387036099.db2.gz GMGCJHNUIUMKEV-NEPJUHHUSA-N 0 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BCADHN CN(CC(N)=O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120039706 387150121 /nfs/dbraw/zinc/15/01/21/387150121.db2.gz ZIGFAPRTSOVUDM-SFGNSQDASA-N 0 3 212.293 0.217 20 0 BCADHN C[C@H](NC(=O)C(N)C(F)(F)F)[C@H]1CCCO1 ZINC000353184093 387151022 /nfs/dbraw/zinc/15/10/22/387151022.db2.gz PCDNKOHNSAVPQM-XVMARJQXSA-N 0 3 240.225 0.560 20 0 BCADHN CN(CC1CCC1)C(=O)C[C@H]1CNCCO1 ZINC000085620092 387151148 /nfs/dbraw/zinc/15/11/48/387151148.db2.gz NRPQBACNVWOSKO-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN CCCn1nccc1NC(=O)[C@H](CN)OC ZINC000353183654 387151574 /nfs/dbraw/zinc/15/15/74/387151574.db2.gz HTDYOSOSYXQSMO-QMMMGPOBSA-N 0 3 226.280 0.205 20 0 BCADHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)CN ZINC000336330065 387156180 /nfs/dbraw/zinc/15/61/80/387156180.db2.gz KHZVHAHGQONKRJ-WDEREUQCSA-N 0 3 241.335 0.193 20 0 BCADHN COC[C@@H]1CN(C[C@@](C)(O)C(C)C)CCO1 ZINC000187079346 387156526 /nfs/dbraw/zinc/15/65/26/387156526.db2.gz DYPPXTQLNMIVLG-NWDGAFQWSA-N 0 3 231.336 0.741 20 0 BCADHN C[C@H](CN(C)C)NC(=O)Cn1cc(Cl)cn1 ZINC000359733828 387157259 /nfs/dbraw/zinc/15/72/59/387157259.db2.gz XPRYJBNGXZPWMR-MRVPVSSYSA-N 0 3 244.726 0.603 20 0 BCADHN C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(C)C2)C1(F)F ZINC000359736448 387157353 /nfs/dbraw/zinc/15/73/53/387157353.db2.gz DKWVFTIHRLROQE-MRTMQBJTSA-N 0 3 248.273 0.070 20 0 BCADHN CO[C@H](C)CN(C)CCN1CCOC[C@H]1C ZINC000353219100 387158822 /nfs/dbraw/zinc/15/88/22/387158822.db2.gz LYBFKSHJEHIOTK-VXGBXAGGSA-N 0 3 230.352 0.674 20 0 BCADHN CC(C)(C)OCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000571738396 387159721 /nfs/dbraw/zinc/15/97/21/387159721.db2.gz IEBBTVRZFHIFHH-QWRGUYRKSA-N 0 3 231.336 0.477 20 0 BCADHN CCCN(C(=O)C[C@H]1CNCCO1)C1CC1 ZINC000085619096 387161115 /nfs/dbraw/zinc/16/11/15/387161115.db2.gz GVNCTPOIEJUEHR-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@@H](COC)NC(=O)C[C@H]1CSCCN1 ZINC000085614666 387162505 /nfs/dbraw/zinc/16/25/05/387162505.db2.gz OTADLKJCHRPRIG-UWVGGRQHSA-N 0 3 246.376 0.623 20 0 BCADHN 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ZINC000359838901 387173822 /nfs/dbraw/zinc/17/38/22/387173822.db2.gz WSSRSKUCFNPGDC-AAEUAGOBSA-N 0 3 242.363 0.996 20 0 BCADHN COC[C@H](C)[C@@H](C)C(=O)NCCN(C)C ZINC000359848826 387175410 /nfs/dbraw/zinc/17/54/10/387175410.db2.gz NUCICTCTEDXGPW-VHSXEESVSA-N 0 3 216.325 0.583 20 0 BCADHN COCc1cc(N2CCCN(C)CC2)ncn1 ZINC000571832576 387179653 /nfs/dbraw/zinc/17/96/53/387179653.db2.gz WCMJUDNVTREIPM-UHFFFAOYSA-N 0 3 236.319 0.765 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)COC(F)F)CCN1C ZINC000353334990 387180252 /nfs/dbraw/zinc/18/02/52/387180252.db2.gz VGHGBYXGRDFYDE-HTQZYQBOSA-N 0 3 236.262 0.825 20 0 BCADHN Cn1ccc(CN[C@@H](CO)C2CCOCC2)n1 ZINC000359872956 387182073 /nfs/dbraw/zinc/18/20/73/387182073.db2.gz LCUASGWMFANVBU-LBPRGKRZSA-N 0 3 239.319 0.297 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1CC[C@@H](O)[C@@H](C)C1 ZINC000229578478 387184417 /nfs/dbraw/zinc/18/44/17/387184417.db2.gz MPIWGELRCXQOFK-SDDRHHMPSA-N 0 3 242.363 0.946 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@H](C)Cn1cccn1 ZINC000353345315 387185659 /nfs/dbraw/zinc/18/56/59/387185659.db2.gz DYSIENGCBOKAQX-GHMZBOCLSA-N 0 3 238.335 0.728 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]2)o1 ZINC000336356733 387186573 /nfs/dbraw/zinc/18/65/73/387186573.db2.gz LGFBACFPLFXGFS-VIFPVBQESA-N 0 3 244.316 0.618 20 0 BCADHN C[C@H](CNC(=O)[C@]1(C)C[C@H]1F)N(C)C ZINC000424585271 387194165 /nfs/dbraw/zinc/19/41/65/387194165.db2.gz QXNCKEWCSCIPHN-NQMVMOMDSA-N 0 3 202.273 0.801 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@](O)(C2CC2)C1 ZINC000370668690 387133937 /nfs/dbraw/zinc/13/39/37/387133937.db2.gz YDXLPXKXJWLLGE-CYBMUJFWSA-N 0 3 240.347 0.702 20 0 BCADHN CCNC(=O)C(C)(C)NC[C@@H](OC)C1CC1 ZINC000400198624 387136448 /nfs/dbraw/zinc/13/64/48/387136448.db2.gz ZFWRJBOTNNKHFY-SNVBAGLBSA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@H](N)C(=O)N1CCCO[C@H]2CCC[C@H]21 ZINC000370697953 387137254 /nfs/dbraw/zinc/13/72/54/387137254.db2.gz BSDPFMTYFLTTPZ-AXFHLTTASA-N 0 3 226.320 0.894 20 0 BCADHN C[C@H]1C[C@@H](NCC(F)(F)CN)CN1C1CC1 ZINC000423350583 387202363 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/nfs/dbraw/zinc/21/28/67/387212867.db2.gz BLKNLCXADSSCMI-CMPLNLGQSA-N 0 3 239.363 0.537 20 0 BCADHN CN(C)CCS[C@@H]1CCCCNC1=O ZINC000120250942 387216572 /nfs/dbraw/zinc/21/65/72/387216572.db2.gz NPLYXWPWCLJRCW-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN C[C@H](NC[C@H](CO)C1CC1)c1ccc(=O)[nH]n1 ZINC000353510929 387217118 /nfs/dbraw/zinc/21/71/18/387217118.db2.gz OLKOWPCOOQLBTN-WCBMZHEXSA-N 0 3 237.303 0.851 20 0 BCADHN COC(=O)CCCN(C)C1CC(O)C1 ZINC000353510298 387218088 /nfs/dbraw/zinc/21/80/88/387218088.db2.gz ITOFCBXWTIOIKZ-UHFFFAOYSA-N 0 3 201.266 0.395 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCC(F)(F)C1 ZINC000336388143 387218837 /nfs/dbraw/zinc/21/88/37/387218837.db2.gz HQONJRDUYGTASC-QMMMGPOBSA-N 0 3 235.278 0.987 20 0 BCADHN C[C@@H](NC[C@@](C)(O)C1CC1)c1ccc(=O)[nH]n1 ZINC000353515771 387221963 /nfs/dbraw/zinc/22/19/63/387221963.db2.gz FGWLYFJGPUZWJQ-PRHODGIISA-N 0 3 237.303 0.994 20 0 BCADHN CCOC[C@@H](O)CN1CCOCC2(CC2)C1 ZINC000360096018 387222410 /nfs/dbraw/zinc/22/24/10/387222410.db2.gz CYRAUJOVVWWKJP-NSHDSACASA-N 0 3 229.320 0.496 20 0 BCADHN CC[C@@H](COC)NC(=O)N[C@H](C)CN(C)C ZINC000353532268 387222589 /nfs/dbraw/zinc/22/25/89/387222589.db2.gz CSSCYZWWBQCLDK-ZJUUUORDSA-N 0 3 231.340 0.661 20 0 BCADHN C[C@@H]1CN(CC2CCOCC2)C[C@@H](CO)O1 ZINC000230013748 387227040 /nfs/dbraw/zinc/22/70/40/387227040.db2.gz OXFYCRCVALKNEF-PWSUYJOCSA-N 0 3 229.320 0.495 20 0 BCADHN C[C@H]1CN(CC2CCOCC2)C[C@@H](CO)O1 ZINC000230013753 387227805 /nfs/dbraw/zinc/22/78/05/387227805.db2.gz OXFYCRCVALKNEF-JQWIXIFHSA-N 0 3 229.320 0.495 20 0 BCADHN CCOC[C@@H](C)N[C@H]1CCC(=O)N(C)C1=O ZINC000230063488 387228659 /nfs/dbraw/zinc/22/86/59/387228659.db2.gz RBZRBGTXIBCSCG-BDAKNGLRSA-N 0 3 228.292 0.148 20 0 BCADHN Cc1cn[nH]c1CN1CC[C@H](O)[C@H](C)C1 ZINC000336400755 387229497 /nfs/dbraw/zinc/22/94/97/387229497.db2.gz CQJWZKNNKVWKCK-KOLCDFICSA-N 0 3 209.293 0.921 20 0 BCADHN Cc1noc([C@H](C)NC(=O)[C@H](N)C(C)C)n1 ZINC000353566676 387230651 /nfs/dbraw/zinc/23/06/51/387230651.db2.gz 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387460113 /nfs/dbraw/zinc/46/01/13/387460113.db2.gz XZECJHJNFFSSDA-BDAKNGLRSA-N 0 3 223.263 0.971 20 0 BCADHN CC[C@H]1CN(CCOC)C[C@]2(CCOC2)O1 ZINC000373805990 387396041 /nfs/dbraw/zinc/39/60/41/387396041.db2.gz QGYRRMOQTBSALO-RYUDHWBXSA-N 0 3 229.320 0.903 20 0 BCADHN C[C@H](CN(C)C)NC(=O)CCc1cncnc1 ZINC000354582320 387399957 /nfs/dbraw/zinc/39/99/57/387399957.db2.gz VAALUWMUJOPYJN-SNVBAGLBSA-N 0 3 236.319 0.476 20 0 BCADHN CO[C@@H](C[NH3+])C(=O)Nc1ccc(Cl)cc1[O-] ZINC000423710532 387400661 /nfs/dbraw/zinc/40/06/61/387400661.db2.gz LDRPMFYYLKYYOF-VIFPVBQESA-N 0 3 244.678 0.958 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@@H]1CCCN(C)C1)N(C)C ZINC000361091080 387401365 /nfs/dbraw/zinc/40/13/65/387401365.db2.gz IYNJUDDDWMRXBX-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)C(=O)N(C)[C@H](C)CN ZINC000423722776 387402295 /nfs/dbraw/zinc/40/22/95/387402295.db2.gz QAFTZASUXLAQHQ-NXEZZACHSA-N 0 3 243.351 0.297 20 0 BCADHN COC[C@@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000354613213 387403869 /nfs/dbraw/zinc/40/38/69/387403869.db2.gz BUNYKYXDYGEUDA-NXEZZACHSA-N 0 3 229.324 0.415 20 0 BCADHN COC[C@@H](C)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000354619501 387404568 /nfs/dbraw/zinc/40/45/68/387404568.db2.gz HXNLHYMXPRBCFD-ZJUUUORDSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@H]1[C@@H](NC(=O)COC(F)F)CCCN1C ZINC000354622581 387405850 /nfs/dbraw/zinc/40/58/50/387405850.db2.gz ZJWFRTOLZITKJC-YUMQZZPRSA-N 0 3 236.262 0.825 20 0 BCADHN CO[C@@H](C)CCNC(=O)N[C@@H](C)CN(C)C ZINC000352645544 387405951 /nfs/dbraw/zinc/40/59/51/387405951.db2.gz ISLXSPLHFGUKGU-UWVGGRQHSA-N 0 3 231.340 0.661 20 0 BCADHN COC(=O)CC1(NC(=O)[C@H](C)N)CCCCC1 ZINC000572406423 387405968 /nfs/dbraw/zinc/40/59/68/387405968.db2.gz SHBKHNAESMOZJL-VIFPVBQESA-N 0 3 242.319 0.716 20 0 BCADHN CC(C)[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC000336581998 387408099 /nfs/dbraw/zinc/40/80/99/387408099.db2.gz HQXRQVWKJBDHTB-MRVPVSSYSA-N 0 3 213.281 0.159 20 0 BCADHN CCCCCN1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000373970436 387408109 /nfs/dbraw/zinc/40/81/09/387408109.db2.gz UZNYXWXSVSEZAV-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN CCc1ncc(NC(=O)C(C)(C)N)cn1 ZINC000423752332 387409105 /nfs/dbraw/zinc/40/91/05/387409105.db2.gz ZYAPOYSYFZQEIS-UHFFFAOYSA-N 0 3 208.265 0.715 20 0 BCADHN COC[C@H](C)NC(=O)NCCN(C)C1CC1 ZINC000354637828 387409153 /nfs/dbraw/zinc/40/91/53/387409153.db2.gz AGTULZUAINGBAN-VIFPVBQESA-N 0 3 229.324 0.415 20 0 BCADHN O=C1CO[C@H]2CCN(C3CCCC3)C[C@@H]2N1 ZINC000373969232 387409899 /nfs/dbraw/zinc/40/98/99/387409899.db2.gz PXBMLUBYLQWYLH-QWRGUYRKSA-N 0 3 224.304 0.518 20 0 BCADHN COC[C@@H](N[C@@H](C)C(=O)N(C)C)C(C)C ZINC000083399677 387410866 /nfs/dbraw/zinc/41/08/66/387410866.db2.gz YGISXOMCJLVWCM-VHSXEESVSA-N 0 3 216.325 0.724 20 0 BCADHN CC(C)(C)OC[C@@H](O)CN1CCCOCC1 ZINC000374026487 387411362 /nfs/dbraw/zinc/41/13/62/387411362.db2.gz GMZVWPVPMRJNQU-NSHDSACASA-N 0 3 231.336 0.885 20 0 BCADHN [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1ncccc1[O-] ZINC000423755927 387411412 /nfs/dbraw/zinc/41/14/12/387411412.db2.gz IMQWOEYWEKHTLA-VHSXEESVSA-N 0 3 249.314 0.921 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)OCC ZINC000423755330 387411845 /nfs/dbraw/zinc/41/18/45/387411845.db2.gz HKPPQFMCBDLZKM-NXEZZACHSA-N 0 3 242.319 0.668 20 0 BCADHN CC1(C(=O)NCc2ncccc2[O-])C[NH2+]C1 ZINC000423755294 387411966 /nfs/dbraw/zinc/41/19/66/387411966.db2.gz HEJNBKMXUNRMAQ-UHFFFAOYSA-N 0 3 221.260 0.013 20 0 BCADHN [NH3+]CC1(C(=O)NCc2ncccc2[O-])CCCC1 ZINC000423757906 387412685 /nfs/dbraw/zinc/41/26/85/387412685.db2.gz MHQMAHMNGGBZDL-UHFFFAOYSA-N 0 3 249.314 0.923 20 0 BCADHN CN(C)CC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000336585706 387413028 /nfs/dbraw/zinc/41/30/28/387413028.db2.gz PSMFANRZXSZZRD-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN COC[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000354660228 387413156 /nfs/dbraw/zinc/41/31/56/387413156.db2.gz NDBTVVGMGPBUKW-DCAQKATOSA-N 0 3 243.351 0.803 20 0 BCADHN CC(C)(C)[C@@H](O)CNC(=O)C(N)C(F)(F)F ZINC000423759151 387413310 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/nfs/dbraw/zinc/41/52/75/387415275.db2.gz YFDNKAGAJSXZKP-LBPRGKRZSA-N 0 3 240.347 0.703 20 0 BCADHN C[C@@H](O)[C@@H]1CCCCN1CC(=O)N1CCCC1 ZINC000303974775 387416688 /nfs/dbraw/zinc/41/66/88/387416688.db2.gz AZHOIKRASNZOIM-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccc(N(C)C)n1 ZINC000423764631 387416617 /nfs/dbraw/zinc/41/66/17/387416617.db2.gz SGBUCIYTPWCCLI-SSDOTTSWSA-N 0 3 208.265 0.433 20 0 BCADHN CC(C)[C@H](O)CN1CCN([C@@H]2CCOC2)CC1 ZINC000374089995 387418210 /nfs/dbraw/zinc/41/82/10/387418210.db2.gz ZGVLJLZWLQKUKM-CHWSQXEVSA-N 0 3 242.363 0.410 20 0 BCADHN CC(C)[C@@H](O)CN1CCOC2(CCOCC2)C1 ZINC000374087129 387418715 /nfs/dbraw/zinc/41/87/15/387418715.db2.gz APBRGZARNUCMKK-LBPRGKRZSA-N 0 3 243.347 0.885 20 0 BCADHN CCCCNC(=O)CN(C[C@@H](C)O)C(C)C ZINC000303983746 387419777 /nfs/dbraw/zinc/41/97/77/387419777.db2.gz HGJBQNGAKIFCGX-LLVKDONJSA-N 0 3 230.352 0.994 20 0 BCADHN CO[C@H](CN)C(=O)N(C)[C@H]1CC1(C)C ZINC000423771154 387419981 /nfs/dbraw/zinc/41/99/81/387419981.db2.gz HYWIKSDWAYFHNM-SFYZADRCSA-N 0 3 200.282 0.217 20 0 BCADHN COc1cc(NC(=O)NC[C@H](C)N(C)C)[nH]n1 ZINC000626694257 387420983 /nfs/dbraw/zinc/42/09/83/387420983.db2.gz VMRGAFUSRSMOAN-ZETCQYMHSA-N 0 3 241.295 0.490 20 0 BCADHN COCCNCC(=O)N(C)[C@@H]1CC1(C)C ZINC000423772740 387421217 /nfs/dbraw/zinc/42/12/17/387421217.db2.gz LBDRJXISHNAKGJ-SECBINFHSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@@H](O)[C@@H]1CCCCN1CC(=O)N(C)C ZINC000303992529 387421740 /nfs/dbraw/zinc/42/17/40/387421740.db2.gz NBMXJDNEOKSUIB-ZJUUUORDSA-N 0 3 214.309 0.310 20 0 BCADHN CCCC(=O)N1CCCN(C[C@@H](C)O)CC1 ZINC000374111970 387421986 /nfs/dbraw/zinc/42/19/86/387421986.db2.gz GGIRPTXAOVZHDK-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN C[C@H]1CN(C(=O)CCOC2CNC2)CC[C@@H]1C ZINC000423773393 387422671 /nfs/dbraw/zinc/42/26/71/387422671.db2.gz MEHJYVCXQSDOQF-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN CO[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1N ZINC000424094488 387494249 /nfs/dbraw/zinc/49/42/49/387494249.db2.gz UOGNWUABZMVMGQ-RGOKHQFPSA-N 0 3 212.293 0.407 20 0 BCADHN CNC(=O)CCN1CCc2nc(C)ncc2C1 ZINC000516287784 387495909 /nfs/dbraw/zinc/49/59/09/387495909.db2.gz SWFSOTVITMFBPW-UHFFFAOYSA-N 0 3 234.303 0.279 20 0 BCADHN CO[C@H](C)CC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000374876435 387497496 /nfs/dbraw/zinc/49/74/96/387497496.db2.gz NVEQKELRMNRYKJ-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H]1OCC[C@H]1N(CCO)CCn1cccn1 ZINC000361575832 387498408 /nfs/dbraw/zinc/49/84/08/387498408.db2.gz DCZVHALFWINWHJ-VXGBXAGGSA-N 0 3 239.319 0.355 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)C(=O)[C@H]1CCN(C)C1 ZINC000516323527 387499901 /nfs/dbraw/zinc/49/99/01/387499901.db2.gz YHGXPWHLEJYYSG-KCWFYHRYSA-N 0 3 246.376 0.164 20 0 BCADHN C[C@H]1OCC[C@H]1N(CCO)CCCF ZINC000361580250 387500967 /nfs/dbraw/zinc/50/09/67/387500967.db2.gz WPUAKBUUFBDJDZ-NXEZZACHSA-N 0 3 205.273 0.818 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)N[C@@H](C)CN(C)C)C1 ZINC000355242801 387503140 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/nfs/dbraw/zinc/50/77/45/387507745.db2.gz JAZGBJOVGAJOEB-UHFFFAOYSA-N 0 3 236.319 0.996 20 0 BCADHN COC(=O)CN1CCN(CC2CCC2)CC1 ZINC000355257772 387508320 /nfs/dbraw/zinc/50/83/20/387508320.db2.gz JRPGKBYJLNIFKW-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN CN(CC(C)(C)O)[C@@H]1CCN(C2CC2)C1=O ZINC000304751164 387508783 /nfs/dbraw/zinc/50/87/83/387508783.db2.gz XIMZTWHXUXNCGK-SNVBAGLBSA-N 0 3 226.320 0.452 20 0 BCADHN C[C@H](O)CCCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000355276540 387509938 /nfs/dbraw/zinc/50/99/38/387509938.db2.gz HUGHQVGOMCRCES-NNYUYHANSA-N 0 3 240.347 0.733 20 0 BCADHN C[C@H](O)CCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000355276538 387510156 /nfs/dbraw/zinc/51/01/56/387510156.db2.gz HUGHQVGOMCRCES-BJDJZHNGSA-N 0 3 240.347 0.733 20 0 BCADHN OC[C@@H]1CSCCN1CCC1(O)CCC1 ZINC000396905322 387511951 /nfs/dbraw/zinc/51/19/51/387511951.db2.gz FKDOJWPGBWQHOZ-SNVBAGLBSA-N 0 3 231.361 0.701 20 0 BCADHN COC[C@H]1CCCCN(CC(N)=O)C1 ZINC000375105092 387512046 /nfs/dbraw/zinc/51/20/46/387512046.db2.gz KFYCFBRNWYKMPX-VIFPVBQESA-N 0 3 200.282 0.220 20 0 BCADHN COC(=O)C1(C(=O)NCCN2CCCC2)CC1 ZINC000361637712 387514273 /nfs/dbraw/zinc/51/42/73/387514273.db2.gz UQLDNPYRFQOMJN-UHFFFAOYSA-N 0 3 240.303 0.152 20 0 BCADHN Cc1nnc(N2CC[C@H]3CCN(C)[C@@H]3C2)o1 ZINC000375232198 387515818 /nfs/dbraw/zinc/51/58/18/387515818.db2.gz CWIWCNJCZBDCDT-NXEZZACHSA-N 0 3 222.292 0.908 20 0 BCADHN CN(C)CC1(NS(=O)(=O)CC2CC2)CCC1 ZINC000355316651 387517525 /nfs/dbraw/zinc/51/75/25/387517525.db2.gz YTRFVZNFSUGPTL-UHFFFAOYSA-N 0 3 246.376 0.800 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](CO)C[C@H](C)C1 ZINC000421991390 387518257 /nfs/dbraw/zinc/51/82/57/387518257.db2.gz WHQVHJUVKFLQDK-NWDGAFQWSA-N 0 3 242.363 0.804 20 0 BCADHN Cn1cccc1CNC[C@@H]1CN(C2CC2)CCO1 ZINC000361657726 387518587 /nfs/dbraw/zinc/51/85/87/387518587.db2.gz LXWSITIKAAGIGR-CQSZACIVSA-N 0 3 249.358 0.978 20 0 BCADHN Cn1cccc1CNC[C@H]1CN(C2CC2)CCO1 ZINC000361657723 387518867 /nfs/dbraw/zinc/51/88/67/387518867.db2.gz LXWSITIKAAGIGR-AWEZNQCLSA-N 0 3 249.358 0.978 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000300419540 387520482 /nfs/dbraw/zinc/52/04/82/387520482.db2.gz HEPPSUMYWXYCPG-MVWJERBFSA-N 0 3 240.347 0.868 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000300715438 387521454 /nfs/dbraw/zinc/52/14/54/387521454.db2.gz AZOJOJSISVHQMC-GRYCIOLGSA-N 0 3 242.363 0.898 20 0 BCADHN COCCCN(C)CCN1CCOC[C@H]1C ZINC000192701912 387522822 /nfs/dbraw/zinc/52/28/22/387522822.db2.gz LQJOTVSMVUWYLJ-GFCCVEGCSA-N 0 3 230.352 0.675 20 0 BCADHN C[C@@H](O)CN1CCC(C(=O)N2CCCC2)CC1 ZINC000192689847 387523660 /nfs/dbraw/zinc/52/36/60/387523660.db2.gz JZEAQTHFJIKFHD-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN O=C1C[C@@H]([C@H]2CCCCN2Cc2c[nH]cn2)CN1 ZINC000355352327 387524085 /nfs/dbraw/zinc/52/40/85/387524085.db2.gz HCSGRROUACLEFX-ZYHUDNBSSA-N 0 3 248.330 0.900 20 0 BCADHN O=C1C[C@@H]([C@H]2CCCCN2Cc2cnc[nH]2)CN1 ZINC000355352327 387524088 /nfs/dbraw/zinc/52/40/88/387524088.db2.gz HCSGRROUACLEFX-ZYHUDNBSSA-N 0 3 248.330 0.900 20 0 BCADHN Cc1cc(CN(C)C(=O)[C@@]2(F)CCNC2)no1 ZINC000361709577 387524151 /nfs/dbraw/zinc/52/41/51/387524151.db2.gz VTNGYBZIMJKNML-LLVKDONJSA-N 0 3 241.266 0.643 20 0 BCADHN CCC(CC)(CN[C@@H](C)C(N)=O)C(=O)OC ZINC000192698002 387525545 /nfs/dbraw/zinc/52/55/45/387525545.db2.gz ALFNBUKTUABBGG-QMMMGPOBSA-N 0 3 230.308 0.429 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@@H](N)CCSC ZINC000157621062 387528592 /nfs/dbraw/zinc/52/85/92/387528592.db2.gz PYXGSBODHYEKGM-BDAKNGLRSA-N 0 3 234.365 0.344 20 0 BCADHN CC1(C)C[C@@H](NCC(=O)NCC2CC2)CO1 ZINC000396986397 387528793 /nfs/dbraw/zinc/52/87/93/387528793.db2.gz WJFGNHKPTJOQLD-SNVBAGLBSA-N 0 3 226.320 0.670 20 0 BCADHN Cn1cc([C@@H](CO)NCCc2cccnc2)cn1 ZINC000361747854 387529271 /nfs/dbraw/zinc/52/92/71/387529271.db2.gz DXVBVVJOFGGLOI-CYBMUJFWSA-N 0 3 246.314 0.681 20 0 BCADHN CCOCCN1CC[C@@H](n2cncn2)C1 ZINC000375332911 387530454 /nfs/dbraw/zinc/53/04/54/387530454.db2.gz QPGRQEYEUCWJHR-SNVBAGLBSA-N 0 3 210.281 0.561 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@]12CCOC2 ZINC000375328667 387530534 /nfs/dbraw/zinc/53/05/34/387530534.db2.gz VQKCENYKTOFNPI-GFCCVEGCSA-N 0 3 226.320 0.720 20 0 BCADHN C[C@H]1COCCN1CCN1CCC(C)(O)CC1 ZINC000192742817 387530805 /nfs/dbraw/zinc/53/08/05/387530805.db2.gz SZTVFEOUDUICJM-LBPRGKRZSA-N 0 3 242.363 0.554 20 0 BCADHN CCN(CC)CC(=O)N[C@H](COC)C1CC1 ZINC000122464980 387531342 /nfs/dbraw/zinc/53/13/42/387531342.db2.gz JFORTOWNTHSXDE-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@]1(O)CCCN(CC2N=NC(=O)S2)CC1 ZINC000375359302 387532015 /nfs/dbraw/zinc/53/20/15/387532015.db2.gz CPPKRBXSCAXSRE-SNVBAGLBSA-N 0 3 243.332 0.981 20 0 BCADHN CNC(=O)CC1CCN(C[C@H](C)O)CC1 ZINC000192736013 387533281 /nfs/dbraw/zinc/53/32/81/387533281.db2.gz PJELFPXGSGIPON-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H](O)CNC(C)(C)C(=O)NCC(C)(C)C ZINC000192775213 387535220 /nfs/dbraw/zinc/53/52/20/387535220.db2.gz BUMMOMQGGJJHAF-SECBINFHSA-N 0 3 230.352 0.898 20 0 BCADHN CC(C)[C@](C)(O)CN1CCN2C(=O)OC[C@H]2C1 ZINC000375391000 387537314 /nfs/dbraw/zinc/53/73/14/387537314.db2.gz MHAJYYFKKLPQEZ-ZYHUDNBSSA-N 0 3 242.319 0.530 20 0 BCADHN CC[C@H](CN(CCO)CCCO)OC ZINC000397072022 387538617 /nfs/dbraw/zinc/53/86/17/387538617.db2.gz ZVDOMLAULFWWAE-SNVBAGLBSA-N 0 3 205.298 0.088 20 0 BCADHN CC(C)[C@@H](C)CC(=O)NC[C@H]1CNCCO1 ZINC000423991658 387462683 /nfs/dbraw/zinc/46/26/83/387462683.db2.gz MPZKITSJTMDRMU-WDEREUQCSA-N 0 3 228.336 0.773 20 0 BCADHN CCN(CC)CC(=O)NC[C@](C)(O)CSC ZINC000304334577 387465503 /nfs/dbraw/zinc/46/55/03/387465503.db2.gz VXFUHHFDNVRDEX-NSHDSACASA-N 0 3 248.392 0.558 20 0 BCADHN CC[C@H](CO)N1CCN(CCCCO)CC1 ZINC000304338306 387466048 /nfs/dbraw/zinc/46/60/48/387466048.db2.gz XPENOOYJMKFXMH-GFCCVEGCSA-N 0 3 230.352 0.147 20 0 BCADHN Cc1ocnc1CNC(=O)N[C@H](C)CN(C)C ZINC000355016295 387466349 /nfs/dbraw/zinc/46/63/49/387466349.db2.gz NFHPYCLESVWVCT-MRVPVSSYSA-N 0 3 240.307 0.732 20 0 BCADHN Cn1cc(CN2CCC[C@@H](c3nnc[nH]3)C2)cn1 ZINC000374540994 387466270 /nfs/dbraw/zinc/46/62/70/387466270.db2.gz IRTAINZLXVNDRS-LLVKDONJSA-N 0 3 246.318 0.918 20 0 BCADHN CC[C@@H](N)C(=O)NCCCN1CCCCC1=O ZINC000516178836 387469136 /nfs/dbraw/zinc/46/91/36/387469136.db2.gz JCZXTQFDVSQTAN-SNVBAGLBSA-N 0 3 241.335 0.243 20 0 BCADHN CCN(CC(=O)N1CCOCC1)CC1CCC1 ZINC000361483655 387469695 /nfs/dbraw/zinc/46/96/95/387469695.db2.gz FKINXSZHWANSEU-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CN(C(=O)[C@@H]1CCCN1C)C1CCN(C)CC1 ZINC000114072916 387470587 /nfs/dbraw/zinc/47/05/87/387470587.db2.gz CURNRDSNYPDDFM-LBPRGKRZSA-N 0 3 239.363 0.633 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@H](N)CCSC ZINC000304399161 387473256 /nfs/dbraw/zinc/47/32/56/387473256.db2.gz GYBSSGIACJQOKK-JGVFFNPUSA-N 0 3 248.348 0.135 20 0 BCADHN C[C@@H](O)CN(C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000361505461 387473685 /nfs/dbraw/zinc/47/36/85/387473685.db2.gz OXLKBTKTEKSODM-UTUOFQBUSA-N 0 3 228.336 0.162 20 0 BCADHN NC(=O)CCN(C(=O)[C@H]1C[C@H]1N)c1ccccc1 ZINC000424063941 387474678 /nfs/dbraw/zinc/47/46/78/387474678.db2.gz NFIDMCXRBNROHN-WDEREUQCSA-N 0 3 247.298 0.242 20 0 BCADHN C[C@H](CO)N(CC(=O)NC1CC1)CC1CCC1 ZINC000361500803 387475244 /nfs/dbraw/zinc/47/52/44/387475244.db2.gz JEQPUTPSEMFRLO-SNVBAGLBSA-N 0 3 240.347 0.748 20 0 BCADHN CO[C@@H]1CCCN(CC(=O)N(C)C)CC1 ZINC000374664357 387478306 /nfs/dbraw/zinc/47/83/06/387478306.db2.gz RRYMVAGYLOLKIT-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN C[C@@H]1[C@@H](C)N(Cc2nccn2C)CCN1C ZINC000336630653 387482002 /nfs/dbraw/zinc/48/20/02/387482002.db2.gz GMTNIQWKQUVRIH-GHMZBOCLSA-N 0 3 222.336 0.945 20 0 BCADHN COC[C@H](C)CN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000527116531 387484003 /nfs/dbraw/zinc/48/40/03/387484003.db2.gz YNHMHQQTFSHPLG-MNOVXSKESA-N 0 3 249.376 0.635 20 0 BCADHN CCO[C@@H]1C[C@](N)(C(=O)NC2CC2)C1(C)C ZINC000162515808 387485588 /nfs/dbraw/zinc/48/55/88/387485588.db2.gz PAYMARQQJIMSDL-SKDRFNHKSA-N 0 3 226.320 0.798 20 0 BCADHN CCO[C@H]1C[C@](N)(C(=O)NC2CC2)C1(C)C ZINC000162515928 387485659 /nfs/dbraw/zinc/48/56/59/387485659.db2.gz PAYMARQQJIMSDL-CABZTGNLSA-N 0 3 226.320 0.798 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000424082142 387486372 /nfs/dbraw/zinc/48/63/72/387486372.db2.gz VWSRBALJTXTKDC-LPEHRKFASA-N 0 3 248.282 0.290 20 0 BCADHN CN(CCCC1CCOCC1)[C@H]1COC[C@H]1O ZINC000352796280 387486864 /nfs/dbraw/zinc/48/68/64/387486864.db2.gz UTIYZVIIYWNEMX-QWHCGFSZSA-N 0 3 243.347 0.885 20 0 BCADHN CN(CCCc1ccncc1)[C@H]1COC[C@H]1O ZINC000352795136 387486918 /nfs/dbraw/zinc/48/69/18/387486918.db2.gz CKTKQWFKKQDUHJ-QWHCGFSZSA-N 0 3 236.315 0.706 20 0 BCADHN C[C@@H]1C[C@H](N2CCCC2)CN1[C@H]1CCNC1=O ZINC000352792962 387486995 /nfs/dbraw/zinc/48/69/95/387486995.db2.gz OCQQSEMQYCPYFL-WOPDTQHZSA-N 0 3 237.347 0.434 20 0 BCADHN Cc1ccc(CCCN2C[C@H](O)[C@@H](O)C2)cn1 ZINC000355144089 387487120 /nfs/dbraw/zinc/48/71/20/387487120.db2.gz CHXHHOSANQMWOY-STQMWFEESA-N 0 3 236.315 0.360 20 0 BCADHN COC(C)(C)CCN(C)[C@@H]1COC[C@H]1O ZINC000352796820 387487937 /nfs/dbraw/zinc/48/79/37/387487937.db2.gz VTEYRXSAUQGCLG-NXEZZACHSA-N 0 3 217.309 0.493 20 0 BCADHN CC(C)CCOCCN(C)[C@@H]1COC[C@H]1O ZINC000352791347 387488404 /nfs/dbraw/zinc/48/84/04/387488404.db2.gz HWZHBUARTLRNOC-VXGBXAGGSA-N 0 3 231.336 0.741 20 0 BCADHN CN(CCOC(C)(C)C)[C@H]1COC[C@H]1O ZINC000352798312 387490496 /nfs/dbraw/zinc/49/04/96/387490496.db2.gz DHJPOSCMCTZKBR-VHSXEESVSA-N 0 3 217.309 0.493 20 0 BCADHN CN(C)CCN(C)C(=O)NC1CCC(O)CC1 ZINC000304565395 387491898 /nfs/dbraw/zinc/49/18/98/387491898.db2.gz ZFWGCDUGPAGPJP-UHFFFAOYSA-N 0 3 243.351 0.493 20 0 BCADHN CC[C@@H](C)CNC(=O)NCCN(C)C ZINC000422222136 387582796 /nfs/dbraw/zinc/58/27/96/387582796.db2.gz DAXKBNXYYLKVSS-SECBINFHSA-N 0 3 201.314 0.893 20 0 BCADHN COc1cccc(C(=O)N[C@H]2CC[NH2+]C2)c1[O-] ZINC000036286780 387583339 /nfs/dbraw/zinc/58/33/39/387583339.db2.gz VGBMFDHNUVAMAQ-QMMMGPOBSA-N 0 3 236.271 0.493 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCC1CC1 ZINC000123560847 387584130 /nfs/dbraw/zinc/58/41/30/387584130.db2.gz DQCUSBBNJKXBLH-QMMMGPOBSA-N 0 3 205.323 0.809 20 0 BCADHN CC(C)(O)CCN1CCN2C(=O)CC[C@H]2C1 ZINC000123507632 387584908 /nfs/dbraw/zinc/58/49/08/387584908.db2.gz LTJHXLKSCPBZSP-JTQLQIEISA-N 0 3 226.320 0.454 20 0 BCADHN CCOCCN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000375813115 387585992 /nfs/dbraw/zinc/58/59/92/387585992.db2.gz KJFKVYNWWRUOGD-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN CCOC[C@H](O)CN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000123571860 387587162 /nfs/dbraw/zinc/58/71/62/387587162.db2.gz XCQWLFHLXGQLCT-IJLUTSLNSA-N 0 3 230.352 0.408 20 0 BCADHN CC[C@H]1CN2CCCC[C@H]2CN1C(=O)[C@@H](C)N ZINC000375852739 387587853 /nfs/dbraw/zinc/58/78/53/387587853.db2.gz VBWBZBCTJAYUKF-WOPDTQHZSA-N 0 3 239.363 0.809 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000426749068 387590411 /nfs/dbraw/zinc/59/04/11/387590411.db2.gz CGLGQEORNABANN-ILWJIGKKSA-N 0 3 211.309 0.646 20 0 BCADHN CC[C@@H](C(=O)N(CC)CCO)N(C)C ZINC000305280187 387590428 /nfs/dbraw/zinc/59/04/28/387590428.db2.gz BGEDSXWLIWUMFF-VIFPVBQESA-N 0 3 202.298 0.167 20 0 BCADHN CO[C@@H]1CN(CCC(C)(C)O)C[C@H]1OC ZINC000234786205 134584135 /nfs/dbraw/zinc/58/41/35/134584135.db2.gz OYJYASROZSSUBH-NXEZZACHSA-N 0 3 217.309 0.493 20 0 BCADHN CO[C@H](C)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123781521 387593822 /nfs/dbraw/zinc/59/38/22/387593822.db2.gz XUAUGZWYKFHYJO-MXWKQRLJSA-N 0 3 228.336 0.962 20 0 BCADHN C[C@H](N[C@H]1CCN(c2ccn(C)n2)C1=O)C1CC1 ZINC000375960652 387596159 /nfs/dbraw/zinc/59/61/59/387596159.db2.gz JSBJEKMKOQKMHS-ONGXEEELSA-N 0 3 248.330 0.914 20 0 BCADHN CCN(C)CCNC(=O)NC[C@@H](C)SC ZINC000123861594 387596626 /nfs/dbraw/zinc/59/66/26/387596626.db2.gz MKWBWIAAWPNYMW-SECBINFHSA-N 0 3 233.381 0.989 20 0 BCADHN COC(C)(C)C[C@H](C)NC(=O)[C@@H]1C[C@@H]1N ZINC000424124385 387596572 /nfs/dbraw/zinc/59/65/72/387596572.db2.gz MDXXKQVXMNXDRG-YIZRAAEISA-N 0 3 214.309 0.653 20 0 BCADHN CC(C)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000147983257 387596828 /nfs/dbraw/zinc/59/68/28/387596828.db2.gz YQLIZHPEFBXCFT-JTQLQIEISA-N 0 3 211.265 0.069 20 0 BCADHN COC(=O)[C@H](C1CC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000123910219 387598539 /nfs/dbraw/zinc/59/85/39/387598539.db2.gz ASXCHRJQOZLKII-USZNOCQGSA-N 0 3 239.315 0.641 20 0 BCADHN C[C@H]1OCC[C@@H]1C(=O)NCCN1CCCC1 ZINC000355949905 387599189 /nfs/dbraw/zinc/59/91/89/387599189.db2.gz RDCIQPRJPYKVLJ-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000376001582 387601075 /nfs/dbraw/zinc/60/10/75/387601075.db2.gz YMCIFVTXJWQRHE-GRYCIOLGSA-N 0 3 240.347 0.556 20 0 BCADHN CC(C)C[C@@H](N)C(=O)Nc1nncs1 ZINC000039407735 387601203 /nfs/dbraw/zinc/60/12/03/387601203.db2.gz KDIJRZLPNIBMLN-ZCFIWIBFSA-N 0 3 214.294 0.850 20 0 BCADHN CN(C)CCNC(=O)[C@@](C)(O)C1CCC1 ZINC000362365932 387601624 /nfs/dbraw/zinc/60/16/24/387601624.db2.gz QKAFNLOUHUNOFU-NSHDSACASA-N 0 3 214.309 0.215 20 0 BCADHN CC[C@H](C(=O)OC)N1CC[C@](C)(C(=O)NC)C1 ZINC000430262000 387602940 /nfs/dbraw/zinc/60/29/40/387602940.db2.gz WTSJIHRGVVVKBE-SKDRFNHKSA-N 0 3 242.319 0.396 20 0 BCADHN CO[C@@H](CNC(=O)[C@@H]1C[C@@H]1N)C(C)C ZINC000424128577 387603342 /nfs/dbraw/zinc/60/33/42/387603342.db2.gz WMQKDZIQJQAEOK-VGMNWLOBSA-N 0 3 200.282 0.121 20 0 BCADHN CC(C)c1nnc(CNC(=O)[C@@H]2C[C@@H]2N)s1 ZINC000424128460 387604414 /nfs/dbraw/zinc/60/44/14/387604414.db2.gz RDIAYIDXFDDOSO-RQJHMYQMSA-N 0 3 240.332 0.625 20 0 BCADHN CS[C@H](C)CC(=O)NC[C@@](C)(O)CN(C)C ZINC000305454600 387607044 /nfs/dbraw/zinc/60/70/44/387607044.db2.gz SPECUPHYSZLVSJ-MWLCHTKSSA-N 0 3 248.392 0.557 20 0 BCADHN C[C@H]1CCCC[C@@H]1CNC(=O)COC1CNC1 ZINC000430291263 387609162 /nfs/dbraw/zinc/60/91/62/387609162.db2.gz FVANQVXDTCSOCO-WDEREUQCSA-N 0 3 240.347 0.917 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CCCN(C)C1=O ZINC000430375894 387612799 /nfs/dbraw/zinc/61/27/99/387612799.db2.gz KBPAPLLEZSFZSC-LPEHRKFASA-N 0 3 241.335 0.097 20 0 BCADHN CC1CC(NC(=O)CNC[C@@H]2CCCO2)C1 ZINC000430408979 387615163 /nfs/dbraw/zinc/61/51/63/387615163.db2.gz MFRQQSOYRNWMOM-ILDUYXDCSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1CN(C)C ZINC000356087907 387615873 /nfs/dbraw/zinc/61/58/73/387615873.db2.gz TYJPGNGWTRIOPL-TUAOUCFPSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@H](C)C[C@@H](C)NC(=O)COC1CNC1 ZINC000430412217 387617074 /nfs/dbraw/zinc/61/70/74/387617074.db2.gz WUDSNPUWXQRINL-VHSXEESVSA-N 0 3 228.336 0.916 20 0 BCADHN CN(C)CCN(C)C(=O)NC1CCOCC1 ZINC000356118683 387619642 /nfs/dbraw/zinc/61/96/42/387619642.db2.gz YPDUJTJBISWRJS-UHFFFAOYSA-N 0 3 229.324 0.368 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)C[C@H]1CCOC1 ZINC000362499684 387620671 /nfs/dbraw/zinc/62/06/71/387620671.db2.gz QHEQYFSHYRICEZ-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@]1(C)CCN(C(=O)COC2CNC2)C1 ZINC000430479946 387621384 /nfs/dbraw/zinc/62/13/84/387621384.db2.gz DERZGAFDJJCEAA-GFCCVEGCSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](O)CC(C)(C)CNC(=O)NCCN(C)C ZINC000305641695 387623088 /nfs/dbraw/zinc/62/30/88/387623088.db2.gz BLYJGJWRCCCWAF-SNVBAGLBSA-N 0 3 245.367 0.644 20 0 BCADHN Cc1cc(CN2CC[C@H](C(N)=O)C2)ccn1 ZINC000527532390 387623713 /nfs/dbraw/zinc/62/37/13/387623713.db2.gz DVIXEGUBQMMZAJ-NSHDSACASA-N 0 3 219.288 0.697 20 0 BCADHN C[C@@H]1CC[C@H](NC(=O)COC2CNC2)[C@@H](C)C1 ZINC000430520316 387624073 /nfs/dbraw/zinc/62/40/73/387624073.db2.gz RYVWITQHMXTRPD-SCVCMEIPSA-N 0 3 240.347 0.916 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](CO)CC(F)F ZINC000430522374 387624149 /nfs/dbraw/zinc/62/41/49/387624149.db2.gz VKCWLNMLAAYXDN-MRVPVSSYSA-N 0 3 238.278 0.459 20 0 BCADHN CCC[C@H](O)CNC(=O)CN(CC)CC ZINC000305063655 387545392 /nfs/dbraw/zinc/54/53/92/387545392.db2.gz MAYKXIJKYFFJCR-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN CC[C@H](N[C@@H]1CCc2nc(C)cn2C1)C(N)=O ZINC000112540193 387545535 /nfs/dbraw/zinc/54/55/35/387545535.db2.gz QCBCGRZEHCJTEJ-ZJUUUORDSA-N 0 3 236.319 0.360 20 0 BCADHN O=C1C[C@]2(CCN(CC3(F)CC3)C2)CN1 ZINC000527237289 387545803 /nfs/dbraw/zinc/54/58/03/387545803.db2.gz JXNNQRPPNYJBGW-SNVBAGLBSA-N 0 3 212.268 0.701 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000113992294 387546488 /nfs/dbraw/zinc/54/64/88/387546488.db2.gz SWHUZNZDDXLACZ-BBBLOLIVSA-N 0 3 212.293 0.232 20 0 BCADHN NC(=O)NCc1ccc(NC(=O)[C@H]2C[C@H]2N)cc1 ZINC000424112585 387548242 /nfs/dbraw/zinc/54/82/42/387548242.db2.gz KNSFSQSOUKCUQP-VHSXEESVSA-N 0 3 248.286 0.141 20 0 BCADHN C[C@@H](CO)N1CCCN(c2ccccn2)CC1 ZINC000375513039 387548679 /nfs/dbraw/zinc/54/86/79/387548679.db2.gz TYRHXXZMNUGXPF-LBPRGKRZSA-N 0 3 235.331 0.975 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422046278 387549221 /nfs/dbraw/zinc/54/92/21/387549221.db2.gz ZSOBUPXQXNGOKS-WDEREUQCSA-N 0 3 228.336 0.556 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000375532518 387550079 /nfs/dbraw/zinc/55/00/79/387550079.db2.gz RMHBVYSYXWKMRO-IRLTVKRESA-N 0 3 238.331 0.788 20 0 BCADHN OCCCN1CCC(O)(C(F)F)CC1 ZINC000426240071 387550556 /nfs/dbraw/zinc/55/05/56/387550556.db2.gz SYSQKUAXGSVWGR-UHFFFAOYSA-N 0 3 209.236 0.461 20 0 BCADHN Cc1noc(C)c1S(=O)(=O)[N-]C1CC([NH3+])C1 ZINC000036265831 387552660 /nfs/dbraw/zinc/55/26/60/387552660.db2.gz AEXMIVKLSQMUAP-UHFFFAOYSA-N 0 3 245.304 0.059 20 0 BCADHN C[C@H](O)C1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000305100738 387553555 /nfs/dbraw/zinc/55/35/55/387553555.db2.gz BKXLUNHZJNDIJY-CABZTGNLSA-N 0 3 244.310 0.307 20 0 BCADHN O=C1NC[C@@]2(CCCN(C[C@H]3CCOC3)C2)O1 ZINC000375572741 387553882 /nfs/dbraw/zinc/55/38/82/387553882.db2.gz SFXOGTDLUVFOSS-ZYHUDNBSSA-N 0 3 240.303 0.597 20 0 BCADHN O=C1NC[C@@]2(CCCN(C[C@@H]3CCOC3)C2)O1 ZINC000375572738 387554302 /nfs/dbraw/zinc/55/43/02/387554302.db2.gz SFXOGTDLUVFOSS-CMPLNLGQSA-N 0 3 240.303 0.597 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@H]1CCSC1 ZINC000355593531 387555704 /nfs/dbraw/zinc/55/57/04/387555704.db2.gz CKKGIABDOHJLEF-VHSXEESVSA-N 0 3 245.392 0.989 20 0 BCADHN CCN(CC)C(=O)C[C@H](C)N[C@@H](C)C(=O)NC ZINC000426318933 387556738 /nfs/dbraw/zinc/55/67/38/387556738.db2.gz MXWWFICPXRFOHR-UWVGGRQHSA-N 0 3 243.351 0.358 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@H](C)Cn1cccn1 ZINC000036999214 387557786 /nfs/dbraw/zinc/55/77/86/387557786.db2.gz ZFTPIESPMTXEFF-GHMZBOCLSA-N 0 3 238.335 0.761 20 0 BCADHN C[C@H](O)CN(C)C(=O)NCCN(C)C1CC1 ZINC000361976795 387557864 /nfs/dbraw/zinc/55/78/64/387557864.db2.gz MVWPAXVYVCPFBO-VIFPVBQESA-N 0 3 229.324 0.103 20 0 BCADHN C[C@H](O)CN(C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000361975695 387558052 /nfs/dbraw/zinc/55/80/52/387558052.db2.gz CBEWSIGPCUYPKO-VHSXEESVSA-N 0 3 241.335 0.245 20 0 BCADHN CNC(=O)[C@H](C)N[C@@H](COC)C1CCOCC1 ZINC000426348507 387558583 /nfs/dbraw/zinc/55/85/83/387558583.db2.gz ZWCDWSCOGPUIAE-ONGXEEELSA-N 0 3 244.335 0.152 20 0 BCADHN CCOCCN(CC)C(=O)[C@@H]1C[C@@H]1N ZINC000424116311 387559547 /nfs/dbraw/zinc/55/95/47/387559547.db2.gz XNQPLOIZVOCBGY-BDAKNGLRSA-N 0 3 200.282 0.219 20 0 BCADHN COCC(C)(C)CN1CCN(C[C@@H](C)O)CC1 ZINC000426363496 387560719 /nfs/dbraw/zinc/56/07/19/387560719.db2.gz WEEHHMFTDDANKC-GFCCVEGCSA-N 0 3 244.379 0.657 20 0 BCADHN C[C@@H](NCC(=O)NCC1CC1)[C@H]1CCCO1 ZINC000035247544 387561071 /nfs/dbraw/zinc/56/10/71/387561071.db2.gz KWDWZJAEEGGXLQ-MWLCHTKSSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H](O)CN1CCCC[C@@H]1Cn1ccnn1 ZINC000375621387 387561487 /nfs/dbraw/zinc/56/14/87/387561487.db2.gz SCDQZBSHEGHAMK-GHMZBOCLSA-N 0 3 224.308 0.513 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)C12CCCN1CCC2 ZINC000355653978 387563437 /nfs/dbraw/zinc/56/34/37/387563437.db2.gz ARRNHBHWQPFVSC-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H]1C[C@H](C)N1C(=O)NCCOCCN(C)C ZINC000527455227 387564123 /nfs/dbraw/zinc/56/41/23/387564123.db2.gz UXMKGQHZVAQVSV-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H]1C[C@H]1CC(=O)NCCOCCN(C)C ZINC000355662742 387565545 /nfs/dbraw/zinc/56/55/45/387565545.db2.gz ZCWWSKGSARFGLS-MNOVXSKESA-N 0 3 228.336 0.727 20 0 BCADHN Cc1cnc(CN2CC[C@@](C)(C(N)=O)C2)cn1 ZINC000355678182 387566319 /nfs/dbraw/zinc/56/63/19/387566319.db2.gz IHPVUEGBJNIJDU-GFCCVEGCSA-N 0 3 234.303 0.482 20 0 BCADHN Cc1ccc(C(=O)NCCN(C)C)c(C)n1 ZINC000054853272 387566349 /nfs/dbraw/zinc/56/63/49/387566349.db2.gz HGXKUCZCJVGKBJ-UHFFFAOYSA-N 0 3 221.304 0.990 20 0 BCADHN CNS(=O)(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000375680529 387567446 /nfs/dbraw/zinc/56/74/46/387567446.db2.gz QXQNRMWFSHGCEC-UWVGGRQHSA-N 0 3 247.364 0.009 20 0 BCADHN COCC(C)(C)CN(C)[C@@H]1CCNC1=O ZINC000426416193 387567489 /nfs/dbraw/zinc/56/74/89/387567489.db2.gz HJZAYZOBBZKILL-SECBINFHSA-N 0 3 214.309 0.479 20 0 BCADHN COC[C@@H](C)NC[C@](C)(O)C(=O)OC(C)(C)C ZINC000362089378 387570453 /nfs/dbraw/zinc/57/04/53/387570453.db2.gz IGMMFMWPVHNNPX-SKDRFNHKSA-N 0 3 247.335 0.704 20 0 BCADHN C[C@H](CN1C[C@H](C)[C@H](CO)C1)CS(C)(=O)=O ZINC000362095672 387571261 /nfs/dbraw/zinc/57/12/61/387571261.db2.gz LPAKBPYMVKEWQN-VWYCJHECSA-N 0 3 249.376 0.227 20 0 BCADHN C[C@H](CN1C[C@H](C)[C@@H](CO)C1)CS(C)(=O)=O ZINC000362095670 387571700 /nfs/dbraw/zinc/57/17/00/387571700.db2.gz LPAKBPYMVKEWQN-OUAUKWLOSA-N 0 3 249.376 0.227 20 0 BCADHN CCN(CCO)CCNC(=O)C[C@H]1C[C@@H]1C ZINC000355748181 387573274 /nfs/dbraw/zinc/57/32/74/387573274.db2.gz JHGNNCVWQMNNEE-WDEREUQCSA-N 0 3 228.336 0.463 20 0 BCADHN C[C@@H]1CN(CC2CCC2)CCN1CCO ZINC000426491787 387573924 /nfs/dbraw/zinc/57/39/24/387573924.db2.gz KCGORWZDGLONIT-LLVKDONJSA-N 0 3 212.337 0.785 20 0 BCADHN C[C@H]1CN(CC2CCC2)CCN1CCO ZINC000426491788 387574044 /nfs/dbraw/zinc/57/40/44/387574044.db2.gz KCGORWZDGLONIT-NSHDSACASA-N 0 3 212.337 0.785 20 0 BCADHN CN(CCN1CCCC1)C(=O)CCCC(N)=O ZINC000426484820 387574291 /nfs/dbraw/zinc/57/42/91/387574291.db2.gz UUDWASPWQJGDSX-UHFFFAOYSA-N 0 3 241.335 0.196 20 0 BCADHN CCN(CCO)C(=O)[C@H]1CCCCN1CC ZINC000305182845 387574532 /nfs/dbraw/zinc/57/45/32/387574532.db2.gz HYOYQRDAKPEETK-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCCCCF ZINC000362115632 387574992 /nfs/dbraw/zinc/57/49/92/387574992.db2.gz YDNXSEAWBKVWCX-VIFPVBQESA-N 0 3 219.304 0.985 20 0 BCADHN CC[C@@H](CN1CCOC[C@H](O)C1)OC ZINC000399882652 387575063 /nfs/dbraw/zinc/57/50/63/387575063.db2.gz GOXFFDZOQHMBHJ-ZJUUUORDSA-N 0 3 203.282 0.105 20 0 BCADHN CC1(C)CC[C@@H](CN2CCOC[C@H](O)C2)O1 ZINC000399858742 387575307 /nfs/dbraw/zinc/57/53/07/387575307.db2.gz KUWWWLXWNXWCLB-MNOVXSKESA-N 0 3 229.320 0.637 20 0 BCADHN CC(=O)NC[C@@H]1CCCN([C@H]2CCOC2)C1 ZINC000355757513 387577598 /nfs/dbraw/zinc/57/75/98/387577598.db2.gz YMHFFXJWQNHGRI-RYUDHWBXSA-N 0 3 226.320 0.623 20 0 BCADHN COCC[C@H](CO)NCc1ccc(OC)nc1 ZINC000336710687 387579688 /nfs/dbraw/zinc/57/96/88/387579688.db2.gz LIBFNYCRSCUIDE-LLVKDONJSA-N 0 3 240.303 0.577 20 0 BCADHN CCC[C@H](O)CN[C@H]1CCN[C@H]1C(=O)OCC ZINC000422719918 387632631 /nfs/dbraw/zinc/63/26/31/387632631.db2.gz YVZLUOXQJKVLJG-GARJFASQSA-N 0 3 244.335 0.031 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N1CC[C@H](CO)C1 ZINC000305718074 387632877 /nfs/dbraw/zinc/63/28/77/387632877.db2.gz VAQAZUKHCBJBRK-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN Cn1cccc1CN1CC[C@@H](C(N)=O)C1 ZINC000124924622 387636332 /nfs/dbraw/zinc/63/63/32/387636332.db2.gz KZPIMGBVMWEEEL-SECBINFHSA-N 0 3 207.277 0.332 20 0 BCADHN CCC1(CO)CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000305726202 387638357 /nfs/dbraw/zinc/63/83/57/387638357.db2.gz JKRNIDXFZOOSHO-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CSCC(=O)N(CCN(C)C)C1CC1 ZINC000356280423 387638458 /nfs/dbraw/zinc/63/84/58/387638458.db2.gz NBLPXVIVCFKFLN-UHFFFAOYSA-N 0 3 216.350 0.902 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000424133913 387640301 /nfs/dbraw/zinc/64/03/01/387640301.db2.gz JYKLHERRBVHSBS-WDEREUQCSA-N 0 3 246.314 0.968 20 0 BCADHN C[C@H](CNC(=O)C1(N)CC1)Cn1ccnc1 ZINC000430692112 387640721 /nfs/dbraw/zinc/64/07/21/387640721.db2.gz LQNBUNUJGSNTAH-SECBINFHSA-N 0 3 222.292 0.127 20 0 BCADHN NCC(=O)Nc1ccccc1CN1CCOCC1 ZINC000430688842 387641048 /nfs/dbraw/zinc/64/10/48/387641048.db2.gz AHVUQSZCMGOYSA-UHFFFAOYSA-N 0 3 249.314 0.416 20 0 BCADHN CC[C@@H](C(=O)N(C)C[C@@H]1CCCO1)N(C)C ZINC000125081654 387643401 /nfs/dbraw/zinc/64/34/01/387643401.db2.gz VVVMROPKNVGJJC-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CSC1(CN(C)[C@@H]2COC[C@H]2O)CCC1 ZINC000356327965 387643703 /nfs/dbraw/zinc/64/37/03/387643703.db2.gz ZKBZAASPSJWNPO-NXEZZACHSA-N 0 3 231.361 0.964 20 0 BCADHN CC[C@@](C)(CNC(=O)NCCN(C)C)OC ZINC000458966117 387645578 /nfs/dbraw/zinc/64/55/78/387645578.db2.gz FEGZPBNMYUFFKV-NSHDSACASA-N 0 3 231.340 0.662 20 0 BCADHN Cn1ccc(CNC[C@H]2CN(C3CC3)CCO2)c1 ZINC000125174952 387646867 /nfs/dbraw/zinc/64/68/67/387646867.db2.gz BPPSWQLJQZBPGV-AWEZNQCLSA-N 0 3 249.358 0.978 20 0 BCADHN CC[C@@H](NC(=O)COC1CNC1)c1ccncc1 ZINC000430740961 387647494 /nfs/dbraw/zinc/64/74/94/387647494.db2.gz RIADVYBUDWISFM-GFCCVEGCSA-N 0 3 249.314 0.637 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)Cn1cncn1 ZINC000125273208 387649481 /nfs/dbraw/zinc/64/94/81/387649481.db2.gz NWHILCXPOFZSRU-SNVBAGLBSA-N 0 3 239.323 0.125 20 0 BCADHN CC(=O)NCCCN1CC[C@@H](C)[C@H](O)C1 ZINC000305770293 387650941 /nfs/dbraw/zinc/65/09/41/387650941.db2.gz XBLBUJFGBPORKR-MWLCHTKSSA-N 0 3 214.309 0.215 20 0 BCADHN CN(Cc1nccs1)C(=O)COC1CNC1 ZINC000430782240 387652446 /nfs/dbraw/zinc/65/24/46/387652446.db2.gz HVBCOAJMTYVYAS-UHFFFAOYSA-N 0 3 241.316 0.090 20 0 BCADHN COC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424135117 387653030 /nfs/dbraw/zinc/65/30/30/387653030.db2.gz IWPSUPMIFDYMFR-BBBLOLIVSA-N 0 3 212.293 0.219 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000356394254 387653125 /nfs/dbraw/zinc/65/31/25/387653125.db2.gz SLHXBBZLYOCEQQ-MNOVXSKESA-N 0 3 227.352 0.537 20 0 BCADHN Cc1cc(NC(=O)C2(N)CC2)c(=O)n(C)c1 ZINC000430818638 387653569 /nfs/dbraw/zinc/65/35/69/387653569.db2.gz BRDCDJKOGJUGQF-UHFFFAOYSA-N 0 3 221.260 0.124 20 0 BCADHN Cn1cncc1CNC[C@@H](O)[C@@H]1CCCO1 ZINC000527757507 387695519 /nfs/dbraw/zinc/69/55/19/387695519.db2.gz JWQHXTFGKVXYRP-MNOVXSKESA-N 0 3 225.292 0.050 20 0 BCADHN CON(C)C(=O)CCN1CC([C@@H]2CCOC2)C1 ZINC000376640893 387658655 /nfs/dbraw/zinc/65/86/55/387658655.db2.gz JKXHNYPFQKMEHO-SNVBAGLBSA-N 0 3 242.319 0.365 20 0 BCADHN CO[C@@]1(CN[C@@H](C)c2cnn(C)c2)CCOC1 ZINC000123152289 387659173 /nfs/dbraw/zinc/65/91/73/387659173.db2.gz VNHLVTKTVUDBQS-CMPLNLGQSA-N 0 3 239.319 0.876 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@H](N)C(C)(C)C)no1 ZINC000125513074 387659718 /nfs/dbraw/zinc/65/97/18/387659718.db2.gz WLQYTHNEFGOWFE-VIFPVBQESA-N 0 3 240.307 0.710 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@@H](C)CSC ZINC000422759435 387660898 /nfs/dbraw/zinc/66/08/98/387660898.db2.gz OZPZSTMAEJDUIL-LPEHRKFASA-N 0 3 246.376 0.621 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@@H](C)CSC ZINC000422759433 387661024 /nfs/dbraw/zinc/66/10/24/387661024.db2.gz OZPZSTMAEJDUIL-IVZWLZJFSA-N 0 3 246.376 0.621 20 0 BCADHN Cc1cncn1CC(=O)N1CCCN(C)CC1 ZINC000527653824 387661789 /nfs/dbraw/zinc/66/17/89/387661789.db2.gz RUHDFNAHDKDEDW-UHFFFAOYSA-N 0 3 236.319 0.356 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1cncn1C ZINC000356483575 387663522 /nfs/dbraw/zinc/66/35/22/387663522.db2.gz LGADDPGSKDKYKB-MRVPVSSYSA-N 0 3 210.281 0.100 20 0 BCADHN COC[C@@H](CCO)NCc1ccnc(C)c1 ZINC000527664911 387666638 /nfs/dbraw/zinc/66/66/38/387666638.db2.gz OXDISJRGBGBJCY-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN Cc1n[nH]cc1CN[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000305913986 387666984 /nfs/dbraw/zinc/66/69/84/387666984.db2.gz ANMXPRBRQYSXHQ-RYUDHWBXSA-N 0 3 248.330 0.961 20 0 BCADHN Cc1nccn1C[C@H]1CCCN1C(=O)CN ZINC000431010872 387669892 /nfs/dbraw/zinc/66/98/92/387669892.db2.gz SFQLKKHXDQNPJN-SNVBAGLBSA-N 0 3 222.292 0.141 20 0 BCADHN CCN(CCO)CCNC(=O)[C@]1(C)C[C@H]1F ZINC000424791120 387670122 /nfs/dbraw/zinc/67/01/22/387670122.db2.gz XYLZUFOTSBGNAN-MWLCHTKSSA-N 0 3 232.299 0.165 20 0 BCADHN COC(=O)[C@H](NC(=O)[C@]1(F)CCNC1)C(C)C ZINC000376792689 387670481 /nfs/dbraw/zinc/67/04/81/387670481.db2.gz YAVOHEZEFDOXJX-KCJUWKMLSA-N 0 3 246.282 0.002 20 0 BCADHN C[C@H](CCO)CNC(=O)CC1CCN(C)CC1 ZINC000362917287 387671575 /nfs/dbraw/zinc/67/15/75/387671575.db2.gz JQGDPWIUPPPDIW-LLVKDONJSA-N 0 3 242.363 0.853 20 0 BCADHN CC[C@@H](C)N(C)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126099587 387674745 /nfs/dbraw/zinc/67/47/45/387674745.db2.gz YGKSFIPYBBLNGL-KOLCDFICSA-N 0 3 243.351 0.343 20 0 BCADHN Cc1cc(CNCCN2CCC(O)CC2)ccn1 ZINC000527717726 387675336 /nfs/dbraw/zinc/67/53/36/387675336.db2.gz QXVVIDPYOKTKPF-UHFFFAOYSA-N 0 3 249.358 0.936 20 0 BCADHN COCCN(C)C[C@H](O)COCC(F)(F)F ZINC000431078382 387676228 /nfs/dbraw/zinc/67/62/28/387676228.db2.gz TZJMFAKOLGULLA-QMMMGPOBSA-N 0 3 245.241 0.504 20 0 BCADHN Cn1cc(CNC[C@H](O)[C@H]2CCCO2)cn1 ZINC000527757353 387696270 /nfs/dbraw/zinc/69/62/70/387696270.db2.gz DOYAGKWHMQJCFF-WDEREUQCSA-N 0 3 225.292 0.050 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@H]1CCCO1 ZINC000451943469 387684737 /nfs/dbraw/zinc/68/47/37/387684737.db2.gz JSARBSDPVZJOEU-GMTAPVOTSA-N 0 3 215.293 0.559 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@@H](O)C(C)(C)C ZINC000451945726 387685998 /nfs/dbraw/zinc/68/59/98/387685998.db2.gz JRBQWYGKNOZLKC-GMTAPVOTSA-N 0 3 231.336 0.787 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCCSC ZINC000451947821 387687649 /nfs/dbraw/zinc/68/76/49/387687649.db2.gz QSUXVPBEPQRQAL-RKDXNWHRSA-N 0 3 205.323 0.743 20 0 BCADHN CN(C)CCN(C)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000431224517 387690327 /nfs/dbraw/zinc/69/03/27/387690327.db2.gz XHFINUVSXSSMQH-WDEREUQCSA-N 0 3 225.336 0.988 20 0 BCADHN CCN1CCN(CC(C)(C)NCCF)CC1 ZINC000451988787 387691751 /nfs/dbraw/zinc/69/17/51/387691751.db2.gz PRTALWHZACPYKG-UHFFFAOYSA-N 0 3 231.359 0.962 20 0 BCADHN COc1nccc(CNCC2COC2)n1 ZINC000527821689 387743940 /nfs/dbraw/zinc/74/39/40/387743940.db2.gz WQWQLYPLNPGHRX-UHFFFAOYSA-N 0 3 209.249 0.221 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@H](C)CCOC ZINC000422859197 387744467 /nfs/dbraw/zinc/74/44/67/387744467.db2.gz JWGJKYLQCGJSJS-GMTAPVOTSA-N 0 3 244.335 0.295 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000356909256 387744414 /nfs/dbraw/zinc/74/44/14/387744414.db2.gz CGOVWWXEIJCGAU-AATLWQCWSA-N 0 3 240.303 0.004 20 0 BCADHN CN(C)CCN(C(=O)c1cnccn1)C1CC1 ZINC000356900917 387744944 /nfs/dbraw/zinc/74/49/44/387744944.db2.gz WIXJNCQLNXYMCP-UHFFFAOYSA-N 0 3 234.303 0.643 20 0 BCADHN CC(C)[C@@](C)(CN)NC(=O)C(=O)NCC1CC1 ZINC000422860312 387745141 /nfs/dbraw/zinc/74/51/41/387745141.db2.gz HZYANXXEEHDTEO-GFCCVEGCSA-N 0 3 241.335 0.002 20 0 BCADHN COC(=O)CCCN1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000377728430 387745403 /nfs/dbraw/zinc/74/54/03/387745403.db2.gz UCFZVERFRNYNHS-VHSXEESVSA-N 0 3 240.303 0.008 20 0 BCADHN CCN(C)C(=O)CN1CC[C@](CO)(C(C)C)C1 ZINC000377732687 387746519 /nfs/dbraw/zinc/74/65/19/387746519.db2.gz NZFSCKKJNATWEX-ZDUSSCGKSA-N 0 3 242.363 0.805 20 0 BCADHN Cc1cnn([C@@H]2CCN(CCn3cncn3)C2)c1 ZINC000377770369 387747453 /nfs/dbraw/zinc/74/74/53/387747453.db2.gz DDYIDELIEOMBRT-GFCCVEGCSA-N 0 3 246.318 0.730 20 0 BCADHN Cc1c[nH]nc1CN[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000377769329 387747547 /nfs/dbraw/zinc/74/75/47/387747547.db2.gz UFHYMCLOCKZXGL-ZWNOBZJWSA-N 0 3 248.330 0.865 20 0 BCADHN COC[C@](C)(CC(=O)OC)NCCOC(C)C ZINC000123421129 387697315 /nfs/dbraw/zinc/69/73/15/387697315.db2.gz WUAKLKQEXPFVSL-LBPRGKRZSA-N 0 3 247.335 0.969 20 0 BCADHN O[C@@H](CNCc1cc[nH]c1)[C@H]1CCCO1 ZINC000527760198 387697510 /nfs/dbraw/zinc/69/75/10/387697510.db2.gz WSPQABBTOUIZKA-WDEREUQCSA-N 0 3 210.277 0.644 20 0 BCADHN COC[C@H](O)CN1CCOC[C@H]1CC(C)C ZINC000126869245 387698171 /nfs/dbraw/zinc/69/81/71/387698171.db2.gz JIABEMNBMODSGA-VXGBXAGGSA-N 0 3 231.336 0.741 20 0 BCADHN CCCCN1CCCN(CC(=O)NC)CC1 ZINC000363209900 387699627 /nfs/dbraw/zinc/69/96/27/387699627.db2.gz XJFRAKYJMSIZKZ-UHFFFAOYSA-N 0 3 227.352 0.540 20 0 BCADHN CSCCCN1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000377224937 387702787 /nfs/dbraw/zinc/70/27/87/387702787.db2.gz OYOVLJVBCHLGFU-NXEZZACHSA-N 0 3 244.360 0.329 20 0 BCADHN CCO[C@@H]1CCCC[C@H]1N[C@H]1CCNC1=O ZINC000452034798 387704782 /nfs/dbraw/zinc/70/47/82/387704782.db2.gz MDHVDTTZYXYYFJ-OUAUKWLOSA-N 0 3 226.320 0.812 20 0 BCADHN Cn1nncc1CNCC12CC(C1)CO2 ZINC000527786192 387712207 /nfs/dbraw/zinc/71/22/07/387712207.db2.gz BESNNYSYEJXUDH-UHFFFAOYSA-N 0 3 208.265 0.084 20 0 BCADHN CCN(CCCC(=O)OC)[C@H]1CCNC1=O ZINC000440948155 387715870 /nfs/dbraw/zinc/71/58/70/387715870.db2.gz AHVCSMORVXCQGG-VIFPVBQESA-N 0 3 228.292 0.150 20 0 BCADHN CC[S@@](=O)CC(=O)NCC(C)(C)CN(C)C ZINC000431567717 387716414 /nfs/dbraw/zinc/71/64/14/387716414.db2.gz WUMBLELASLGSAB-MRXNPFEDSA-N 0 3 248.392 0.459 20 0 BCADHN CCN(CCC[C@@H](C)O)[C@H]1CCNC1=O ZINC000440953625 387717725 /nfs/dbraw/zinc/71/77/25/387717725.db2.gz HJTZPNJVAMZZKD-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN CCC[C@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)N(C)C ZINC000422820379 387718018 /nfs/dbraw/zinc/71/80/18/387718018.db2.gz QGTOLAODEUSQAR-GRYCIOLGSA-N 0 3 241.379 0.926 20 0 BCADHN COC(=O)CC1(CN(C)CCCO)CC1 ZINC000440967367 387719215 /nfs/dbraw/zinc/71/92/15/387719215.db2.gz LATWVXZBNSFXRR-UHFFFAOYSA-N 0 3 215.293 0.644 20 0 BCADHN CC[C@@H](C(=O)NCCN(C)C)[C@@H](C)O ZINC000431619681 387720969 /nfs/dbraw/zinc/72/09/69/387720969.db2.gz HDNLLYNIQLWWKP-RKDXNWHRSA-N 0 3 202.298 0.071 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1C[C@H](C)C[C@H](O)C1 ZINC000452067031 387721496 /nfs/dbraw/zinc/72/14/96/387721496.db2.gz HBWHCDPCZVDDCP-JFGNBEQYSA-N 0 3 245.319 0.003 20 0 BCADHN CC(C)(C)C[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC000452070008 387723429 /nfs/dbraw/zinc/72/34/29/387723429.db2.gz FREHGJARVCSACT-SECBINFHSA-N 0 3 241.335 0.939 20 0 BCADHN CC(C)C(=O)N1CCCN(CCN(C)C)CC1 ZINC000377537743 387723479 /nfs/dbraw/zinc/72/34/79/387723479.db2.gz NUNDZMFKYLZGLR-UHFFFAOYSA-N 0 3 241.379 0.738 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1C[C@H](C)C[C@@H](O)C1 ZINC000452071266 387725201 /nfs/dbraw/zinc/72/52/01/387725201.db2.gz TZNHOAUKDFPZET-GRYCIOLGSA-N 0 3 242.363 0.944 20 0 BCADHN CO[C@H]1CCCN(CCN2CCNC2=O)CC1 ZINC000377588068 387725521 /nfs/dbraw/zinc/72/55/21/387725521.db2.gz DQWGHXWIAIBJDK-NSHDSACASA-N 0 3 241.335 0.513 20 0 BCADHN C[C@H]1CN(C(=O)c2cnccc2N(C)C)CCN1 ZINC000422834069 387726738 /nfs/dbraw/zinc/72/67/38/387726738.db2.gz HJPMIYASDKUJOJ-JTQLQIEISA-N 0 3 248.330 0.582 20 0 BCADHN CCNC(=O)CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441196816 387733821 /nfs/dbraw/zinc/73/38/21/387733821.db2.gz MSOHHOSHFGRSHT-NWDGAFQWSA-N 0 3 240.347 0.871 20 0 BCADHN CN(C(=O)CN1CC[C@@H](CCCO)C1)C1CC1 ZINC000452113736 387739930 /nfs/dbraw/zinc/73/99/30/387739930.db2.gz ABLKNSARLWFWEI-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NCC[C@@H](O)CC ZINC000422896328 387766197 /nfs/dbraw/zinc/76/61/97/387766197.db2.gz XSSICNYVNDTSFC-HBNTYKKESA-N 0 3 244.335 0.031 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1OCCc2ccccc21 ZINC000378175380 387769307 /nfs/dbraw/zinc/76/93/07/387769307.db2.gz MNOLNALIEYJKKL-CABZTGNLSA-N 0 3 234.299 0.764 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1OCCc2ccccc21 ZINC000378175382 387770371 /nfs/dbraw/zinc/77/03/71/387770371.db2.gz MNOLNALIEYJKKL-SKDRFNHKSA-N 0 3 234.299 0.764 20 0 BCADHN CC(C)(C)C[C@@H](O)CNC(=O)[C@@]1(F)CCNC1 ZINC000378209710 387771995 /nfs/dbraw/zinc/77/19/95/387771995.db2.gz BPOBRABSNPJPIG-BXKDBHETSA-N 0 3 246.326 0.601 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NC1CC(C)C1 ZINC000422918178 387772776 /nfs/dbraw/zinc/77/27/76/387772776.db2.gz GUMLDTBFWIVKEQ-JPPWEJMLSA-N 0 3 226.320 0.668 20 0 BCADHN CO[C@@]1(C)CCCN([C@H](C)C(N)=O)C1 ZINC000300238748 387773877 /nfs/dbraw/zinc/77/38/77/387773877.db2.gz RRPGXNHTHDUVEN-SCZZXKLOSA-N 0 3 200.282 0.361 20 0 BCADHN CN1C(=O)C[C@@H](N2CC[C@@H](C3CC3)C2)C1=O ZINC000378304373 387774504 /nfs/dbraw/zinc/77/45/04/387774504.db2.gz HDLQQRKCSIYFJT-NXEZZACHSA-N 0 3 222.288 0.476 20 0 BCADHN C[C@@H](N)C(=O)Nc1cc([C@H]2C[C@H]2C)[nH]n1 ZINC000157255763 387776471 /nfs/dbraw/zinc/77/64/71/387776471.db2.gz CEGOQRQJXXGUPO-QYNIQEEDSA-N 0 3 208.265 0.819 20 0 BCADHN CC[C@H](C(=O)NCC[C@H](C)CCO)N(C)C ZINC000452247168 387779923 /nfs/dbraw/zinc/77/99/23/387779923.db2.gz HJBNURMIYUZJDA-WDEREUQCSA-N 0 3 230.352 0.851 20 0 BCADHN C[C@@H](CO)CNCc1c(Cl)cnn1C ZINC000130740446 387781939 /nfs/dbraw/zinc/78/19/39/387781939.db2.gz LDPWRYKMKQZPGA-SSDOTTSWSA-N 0 3 217.700 0.792 20 0 BCADHN CC[C@H](C)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452374890 387812652 /nfs/dbraw/zinc/81/26/52/387812652.db2.gz LIYTURHHBSRVOE-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](NC[C@@H](O)[C@H]1CCCO1)c1cnn(C)c1 ZINC000527958569 387787091 /nfs/dbraw/zinc/78/70/91/387787091.db2.gz WRAYBELQVJDUOZ-MVWJERBFSA-N 0 3 239.319 0.611 20 0 BCADHN CN(CCC[C@H]1CCOC1)[C@@H]1CCNC1=O ZINC000645841311 387792064 /nfs/dbraw/zinc/79/20/64/387792064.db2.gz FXKXGVKKUABSKT-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CCc1cnc(CNC(=O)[C@@H]2C[C@@H]2N)s1 ZINC000424150690 387792733 /nfs/dbraw/zinc/79/27/33/387792733.db2.gz ZFLWWEOGVSPZFT-SFYZADRCSA-N 0 3 225.317 0.669 20 0 BCADHN [NH3+]C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000050246087 387794189 /nfs/dbraw/zinc/79/41/89/387794189.db2.gz SBUKXFUVEWFZLZ-VIFPVBQESA-N 0 3 220.272 0.813 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCOC[C@@H]1C)N(C)C ZINC000432459947 387794821 /nfs/dbraw/zinc/79/48/21/387794821.db2.gz BISWMRBFUBCLRY-GARJFASQSA-N 0 3 228.336 0.868 20 0 BCADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1N ZINC000050458789 387795531 /nfs/dbraw/zinc/79/55/31/387795531.db2.gz LQJSEDBUSRCKGT-ZJUUUORDSA-N 0 3 205.261 0.387 20 0 BCADHN CSCC[C@@H](N)C(=O)NC[C@@H](O)C(C)(C)C ZINC000157434901 387796482 /nfs/dbraw/zinc/79/64/82/387796482.db2.gz YOLPDDIIPRAJPS-RKDXNWHRSA-N 0 3 248.392 0.590 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@@H]1CCCCN1 ZINC000157444658 387796804 /nfs/dbraw/zinc/79/68/04/387796804.db2.gz YQTDQPNHHLEVAR-UWVGGRQHSA-N 0 3 214.309 0.406 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@@H](O)C(C)(C)C ZINC000157435218 387796813 /nfs/dbraw/zinc/79/68/13/387796813.db2.gz YOLPDDIIPRAJPS-DTWKUNHWSA-N 0 3 248.392 0.590 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@H](O)C(C)(C)C ZINC000157435356 387796987 /nfs/dbraw/zinc/79/69/87/387796987.db2.gz YOLPDDIIPRAJPS-IUCAKERBSA-N 0 3 248.392 0.590 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCCOCC(F)F ZINC000193652158 387799155 /nfs/dbraw/zinc/79/91/55/387799155.db2.gz ZDDXNQHIFSENFH-VXNVDRBHSA-N 0 3 236.262 0.382 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000424152709 387800453 /nfs/dbraw/zinc/80/04/53/387800453.db2.gz IUWRLHMJEBNALH-OUAUKWLOSA-N 0 3 234.303 0.394 20 0 BCADHN NC(=O)N[C@H]1CCN(CC2=CCCC2)C1 ZINC000645842610 387800937 /nfs/dbraw/zinc/80/09/37/387800937.db2.gz CPTCKVKVFLPUPT-JTQLQIEISA-N 0 3 209.293 0.839 20 0 BCADHN CC(C)(C)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452350843 387807705 /nfs/dbraw/zinc/80/77/05/387807705.db2.gz OUNOMLIIZFJDHA-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](C)C(=O)NC[C@H]1CCCN1CCCO ZINC000452349360 387807825 /nfs/dbraw/zinc/80/78/25/387807825.db2.gz MMTQMVIBTLKHHE-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN O=C(NC[C@@H]1CCCN1CCCO)C1CCC1 ZINC000452352684 387808393 /nfs/dbraw/zinc/80/83/93/387808393.db2.gz SNSIMHOHFHBVSL-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@H](NC[C@H](O)[C@H]1CCCO1)c1cn[nH]c1 ZINC000527959817 387809914 /nfs/dbraw/zinc/80/99/14/387809914.db2.gz ZARJKMYFDIAZMY-INTQDDNPSA-N 0 3 225.292 0.600 20 0 BCADHN C[C@@H]1CN(Cc2c[nH]cn2)[C@H](C)CN1CCO ZINC000418116281 387758069 /nfs/dbraw/zinc/75/80/69/387758069.db2.gz QKXJWXZADHSRAJ-GHMZBOCLSA-N 0 3 238.335 0.297 20 0 BCADHN C[C@@H]1CN(Cc2cnc[nH]2)[C@H](C)CN1CCO ZINC000418116281 387758070 /nfs/dbraw/zinc/75/80/70/387758070.db2.gz QKXJWXZADHSRAJ-GHMZBOCLSA-N 0 3 238.335 0.297 20 0 BCADHN O=C(CC1CC1)N[C@H]1CCCN(CCCO)C1 ZINC000452371418 387811729 /nfs/dbraw/zinc/81/17/29/387811729.db2.gz ADLAPDNNGMICIF-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN COC(=O)[C@@H]1CN(CCO)CC1(C)C ZINC000377992234 387758844 /nfs/dbraw/zinc/75/88/44/387758844.db2.gz JALQHXIEOFYOPZ-QMMMGPOBSA-N 0 3 201.266 0.110 20 0 BCADHN CC(=O)NCCCN1CCN(C)[C@@H](C)[C@@H]1C ZINC000356981039 387759241 /nfs/dbraw/zinc/75/92/41/387759241.db2.gz FRKNNPJJULRPPE-QWRGUYRKSA-N 0 3 227.352 0.537 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000432787434 387820494 /nfs/dbraw/zinc/82/04/94/387820494.db2.gz SHBLYKREKUJLKB-MXWKQRLJSA-N 0 3 228.336 0.589 20 0 BCADHN NC(=O)[C@@H]1CCCN1CCC1CCOCC1 ZINC000432825023 387820817 /nfs/dbraw/zinc/82/08/17/387820817.db2.gz RIWQFSJKIRPKHU-NSHDSACASA-N 0 3 226.320 0.753 20 0 BCADHN CC[C@@H](C)CNC(=O)C(=O)N1CCC[C@H]1CN ZINC000422973693 387824003 /nfs/dbraw/zinc/82/40/03/387824003.db2.gz PKLOQILWYSHFQT-ZJUUUORDSA-N 0 3 241.335 0.098 20 0 BCADHN COC[C@@H](O)CN1CCC(OCC2CC2)CC1 ZINC000360020130 387824208 /nfs/dbraw/zinc/82/42/08/387824208.db2.gz KSMXQYYXXRDYDB-LBPRGKRZSA-N 0 3 243.347 0.885 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@@H]1C[C@@H]1C ZINC000157535313 387826809 /nfs/dbraw/zinc/82/68/09/387826809.db2.gz HUOXGKDRRZYOAT-CIUDSAMLSA-N 0 3 216.350 0.839 20 0 BCADHN CCN(CCO)C[C@H](O)COCC(F)(F)F ZINC000432815747 387826779 /nfs/dbraw/zinc/82/67/79/387826779.db2.gz JUSWRNXRRVYWKS-QMMMGPOBSA-N 0 3 245.241 0.240 20 0 BCADHN CCN(CCNC(=O)c1c[nH]nc1C)C1CC1 ZINC000171508846 387829604 /nfs/dbraw/zinc/82/96/04/387829604.db2.gz NVDVOOAQXIACBD-UHFFFAOYSA-N 0 3 236.319 0.932 20 0 BCADHN CC(C)C[C@H](N)c1noc(COC2CNC2)n1 ZINC000442743075 387832635 /nfs/dbraw/zinc/83/26/35/387832635.db2.gz DTFQVEBTUHFFPC-VIFPVBQESA-N 0 3 240.307 0.604 20 0 BCADHN CCC[C@@H](C(=O)N[C@H]1CC[C@@H](CO)C1)N(C)C ZINC000452498149 387840537 /nfs/dbraw/zinc/84/05/37/387840537.db2.gz COBFOJHEPBMEGG-WOPDTQHZSA-N 0 3 242.363 0.994 20 0 BCADHN CCc1nnc(CN[C@H](C)[C@H]2CCOC2)[nH]1 ZINC000162825745 387841724 /nfs/dbraw/zinc/84/17/24/387841724.db2.gz RCEGITWWFORRCM-BDAKNGLRSA-N 0 3 224.308 0.882 20 0 BCADHN CCc1nnc(C[NH2+][C@H](C)[C@H]2CCOC2)[n-]1 ZINC000162825745 387841728 /nfs/dbraw/zinc/84/17/28/387841728.db2.gz RCEGITWWFORRCM-BDAKNGLRSA-N 0 3 224.308 0.882 20 0 BCADHN CCN1CCC(NC(=O)CN2CCCC2)CC1 ZINC000061757180 387844982 /nfs/dbraw/zinc/84/49/82/387844982.db2.gz LCINBMZFXDTBRU-UHFFFAOYSA-N 0 3 239.363 0.683 20 0 BCADHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CN(C)C ZINC000442821607 387848040 /nfs/dbraw/zinc/84/80/40/387848040.db2.gz NBJSWTAGFXAQQI-LLVKDONJSA-N 0 3 241.379 0.737 20 0 BCADHN CNC(=O)C[C@H](C)N[C@@H](COC)[C@@H]1CCCO1 ZINC000433007723 387848847 /nfs/dbraw/zinc/84/88/47/387848847.db2.gz MGGZPHPIVVWMMY-DCAQKATOSA-N 0 3 244.335 0.295 20 0 BCADHN Cc1ccccc1CNC(=O)C(=O)N(C)CCN ZINC000418897157 387850285 /nfs/dbraw/zinc/85/02/85/387850285.db2.gz LGCPDZNZHTWWSO-UHFFFAOYSA-N 0 3 249.314 0.028 20 0 BCADHN CN(C)c1cccc(CNC(=O)[C@@H]2C[C@@H]2N)n1 ZINC000424165701 387852071 /nfs/dbraw/zinc/85/20/71/387852071.db2.gz FHZIRMQNXJZLCN-ZJUUUORDSA-N 0 3 234.303 0.111 20 0 BCADHN NC(=O)C1(NCCC[C@@H]2CCOC2)CC1 ZINC000645847903 387856618 /nfs/dbraw/zinc/85/66/18/387856618.db2.gz QKAILVGVVKYLJM-SECBINFHSA-N 0 3 212.293 0.411 20 0 BCADHN CCn1cccc(CN[C@H](C)CC(N)=O)c1=O ZINC000433054455 387856793 /nfs/dbraw/zinc/85/67/93/387856793.db2.gz TVGMFDHBAALMLQ-SECBINFHSA-N 0 3 237.303 0.222 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CC1(F)F)N(C)C ZINC000448681021 387858779 /nfs/dbraw/zinc/85/87/79/387858779.db2.gz KZUIKDKHPSHPQW-RNFRBKRXSA-N 0 3 206.236 0.708 20 0 BCADHN C[C@@H](c1cccnc1)N(C)C(=O)[C@@H]1C[C@@H]1N ZINC000424170430 387861850 /nfs/dbraw/zinc/86/18/50/387861850.db2.gz AYNNDACYCWFGEN-GDPRMGEGSA-N 0 3 219.288 0.948 20 0 BCADHN COCCN(Cc1cccnc1)C(=O)[C@@H]1C[C@@H]1N ZINC000424169667 387864236 /nfs/dbraw/zinc/86/42/36/387864236.db2.gz AHOPIRWPJPBTPL-NEPJUHHUSA-N 0 3 249.314 0.404 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000424171534 387864417 /nfs/dbraw/zinc/86/44/17/387864417.db2.gz MBEFBLJUSTYHEV-GARJFASQSA-N 0 3 246.314 0.124 20 0 BCADHN CCSCC[C@@H](C)NC(=O)[C@H](C)N ZINC000157683955 387864762 /nfs/dbraw/zinc/86/47/62/387864762.db2.gz XUWRWIGVAVUOPQ-SFYZADRCSA-N 0 3 204.339 0.982 20 0 BCADHN CC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2N)nc1C ZINC000424169867 387865387 /nfs/dbraw/zinc/86/53/87/387865387.db2.gz IIHCFZWGBKPZMQ-NEPJUHHUSA-N 0 3 247.298 0.556 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@H](C)C1CC1 ZINC000151637407 387869526 /nfs/dbraw/zinc/86/95/26/387869526.db2.gz IANUOVUVKRVIDL-VXNVDRBHSA-N 0 3 216.350 0.982 20 0 BCADHN CO[C@H](C)CN(C)[C@@H](CO)COC(C)C ZINC000433151487 387870483 /nfs/dbraw/zinc/87/04/83/387870483.db2.gz NUDNNSOKFGPFFF-MNOVXSKESA-N 0 3 219.325 0.739 20 0 BCADHN CC(C)[C@@H](O)CN1CCN(CCO)[C@@H](C)C1 ZINC000432791587 387819007 /nfs/dbraw/zinc/81/90/07/387819007.db2.gz GWEISQGNENNMKW-RYUDHWBXSA-N 0 3 230.352 0.002 20 0 BCADHN CC(C)OC[C@H](CO)N(C)C[C@@H](O)C(C)C ZINC000432788015 387819100 /nfs/dbraw/zinc/81/91/00/387819100.db2.gz VRYNXGOZGYPNHQ-NWDGAFQWSA-N 0 3 233.352 0.721 20 0 BCADHN NC(=O)[C@H]1CCCN1CCC1CCOCC1 ZINC000432825022 387819236 /nfs/dbraw/zinc/81/92/36/387819236.db2.gz RIWQFSJKIRPKHU-LLVKDONJSA-N 0 3 226.320 0.753 20 0 BCADHN CCN(CC)CC(=O)NCCCC(=O)N(C)C ZINC000194673729 387889595 /nfs/dbraw/zinc/88/95/95/387889595.db2.gz VFPWPEAJXGJBPQ-UHFFFAOYSA-N 0 3 243.351 0.313 20 0 BCADHN CCOCC[C@H](O)CN1CCC[C@H](OC)C1 ZINC000444611545 387890287 /nfs/dbraw/zinc/89/02/87/387890287.db2.gz QPPROHZARIJHFP-RYUDHWBXSA-N 0 3 231.336 0.885 20 0 BCADHN CCC[C@](C)(N)C(=O)NCC[C@H](O)CC ZINC000158092312 387892316 /nfs/dbraw/zinc/89/23/16/387892316.db2.gz XAISGNCTRJGOHO-KOLCDFICSA-N 0 3 216.325 0.781 20 0 BCADHN CC[C@H](C(=O)NCCN1CCC1)N(CC)CC ZINC000443971536 387879272 /nfs/dbraw/zinc/87/92/72/387879272.db2.gz KUHZNZISCURTKW-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCN1CCC1 ZINC000443971057 387879641 /nfs/dbraw/zinc/87/96/41/387879641.db2.gz KMPQTYJECKJWEV-VXGBXAGGSA-N 0 3 239.363 0.681 20 0 BCADHN Cn1[nH]cnc1=NC[C@H]1CCN1C1CCCC1 ZINC000528213330 387880818 /nfs/dbraw/zinc/88/08/18/387880818.db2.gz XUXSTSNPBGGEIO-LLVKDONJSA-N 0 3 235.335 0.666 20 0 BCADHN COCCNCCNC(=O)[C@H]1CCCS1 ZINC000152196156 387882130 /nfs/dbraw/zinc/88/21/30/387882130.db2.gz VWOZDYGRIPQIFE-SECBINFHSA-N 0 3 232.349 0.234 20 0 BCADHN CCC[C@H](C)C(=O)NC[C@](C)(O)CN(C)C ZINC000152503930 387884807 /nfs/dbraw/zinc/88/48/07/387884807.db2.gz QOTOQOZVIFDLHF-JQWIXIFHSA-N 0 3 230.352 0.851 20 0 BCADHN CS[C@H](CO)[C@@H](C)NCc1c[nH]nc1C ZINC000152474453 387884881 /nfs/dbraw/zinc/88/48/81/387884881.db2.gz ZMCIIITTXZZAMT-PSASIEDQSA-N 0 3 229.349 0.920 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NC1CC(C)(F)C1 ZINC000423142327 387917909 /nfs/dbraw/zinc/91/79/09/387917909.db2.gz ABAZXMHWEMJMRG-MBPTXSFVSA-N 0 3 244.310 0.760 20 0 BCADHN CC(C)C[C@@H](CN1CCCC1)NC(=O)CO ZINC000452782075 387918805 /nfs/dbraw/zinc/91/88/05/387918805.db2.gz XMMCVCFYGVQTAM-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NC1CC(C)(F)C1 ZINC000423142330 387918985 /nfs/dbraw/zinc/91/89/85/387918985.db2.gz ABAZXMHWEMJMRG-WDHPUFTPSA-N 0 3 244.310 0.760 20 0 BCADHN CC(=O)Nc1ncccc1NC(=O)[C@@H]1C[C@@H]1N ZINC000424184604 387899581 /nfs/dbraw/zinc/89/95/81/387899581.db2.gz YEGGKURGIDKJPM-SFYZADRCSA-N 0 3 234.259 0.326 20 0 BCADHN O[C@@H](CN1CCC[C@H](O)C1)CC1(O)CCC1 ZINC000528345147 387902547 /nfs/dbraw/zinc/90/25/47/387902547.db2.gz PIFMLUCVMQDRIU-WDEREUQCSA-N 0 3 229.320 0.109 20 0 BCADHN O[C@@H](CN1CCC[C@@H](O)C1)CC1(O)CCC1 ZINC000528345137 387902762 /nfs/dbraw/zinc/90/27/62/387902762.db2.gz PIFMLUCVMQDRIU-GHMZBOCLSA-N 0 3 229.320 0.109 20 0 BCADHN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2N)[nH]1 ZINC000424187041 387904567 /nfs/dbraw/zinc/90/45/67/387904567.db2.gz UMAVRKVIEQSZQS-UTLUCORTSA-N 0 3 249.318 0.514 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCC[C@H](O)C(C)C ZINC000236715549 387904634 /nfs/dbraw/zinc/90/46/34/387904634.db2.gz SUOBPTYPOUEWTO-MNOVXSKESA-N 0 3 230.352 0.883 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@@H](C)CC(=O)OC ZINC000236790642 387906084 /nfs/dbraw/zinc/90/60/84/387906084.db2.gz AHBIDNSGONINGO-DTWKUNHWSA-N 0 3 230.308 0.572 20 0 BCADHN OCC1CCN(C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528349899 387906062 /nfs/dbraw/zinc/90/60/62/387906062.db2.gz JFXCYJVUMLPRAS-LBPRGKRZSA-N 0 3 243.347 0.357 20 0 BCADHN CCN(C)C(=O)CNC[C@](C)(CC)OC ZINC000322584775 387909111 /nfs/dbraw/zinc/90/91/11/387909111.db2.gz DUMBFJBIIPEEAA-NSHDSACASA-N 0 3 216.325 0.869 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000236892684 387909985 /nfs/dbraw/zinc/90/99/85/387909985.db2.gz HNBCFOPDFLTLDR-JMJZKYOTSA-N 0 3 241.335 0.097 20 0 BCADHN CCOCC[C@H](O)CN1CCN(C)[C@H](C)[C@@H]1C ZINC000444690181 387910120 /nfs/dbraw/zinc/91/01/20/387910120.db2.gz RIEBTNPCODEOPZ-AGIUHOORSA-N 0 3 244.379 0.798 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)C[C@H]1CCOC1 ZINC000236883651 387910995 /nfs/dbraw/zinc/91/09/95/387910995.db2.gz VPWWYTUWPZBKCY-MXWKQRLJSA-N 0 3 228.336 0.855 20 0 BCADHN CN1CC[C@H](CNCc2cc[nH]n2)CC1=O ZINC000424190005 387913578 /nfs/dbraw/zinc/91/35/78/387913578.db2.gz NPJYZCFVWIAFQZ-VIFPVBQESA-N 0 3 222.292 0.368 20 0 BCADHN O=C(c1cccc2cn[nH]c21)N1CCCNCC1 ZINC000238170317 387931317 /nfs/dbraw/zinc/93/13/17/387931317.db2.gz PCYYXRVTYQBNOF-UHFFFAOYSA-N 0 3 244.298 0.998 20 0 BCADHN O=C(c1cccc2c[nH]nc21)N1CCCNCC1 ZINC000238170317 387931323 /nfs/dbraw/zinc/93/13/23/387931323.db2.gz PCYYXRVTYQBNOF-UHFFFAOYSA-N 0 3 244.298 0.998 20 0 BCADHN CC(C)N(CCN(C)C)c1nccn2cnnc12 ZINC000444823847 387934350 /nfs/dbraw/zinc/93/43/50/387934350.db2.gz GXMWBCMGDCSNIC-UHFFFAOYSA-N 0 3 248.334 0.901 20 0 BCADHN CNCC(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424217492 387934605 /nfs/dbraw/zinc/93/46/05/387934605.db2.gz LWDNQGFBVUJTDQ-CMPLNLGQSA-N 0 3 222.263 0.959 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000424218864 387936526 /nfs/dbraw/zinc/93/65/26/387936526.db2.gz XMGQYKDECPFIMN-UWVGGRQHSA-N 0 3 237.307 0.179 20 0 BCADHN CNCC(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000069909600 134905704 /nfs/dbraw/zinc/90/57/04/134905704.db2.gz PSMUUHZQCLNMGE-OCAPTIKFSA-N 0 3 202.323 0.558 20 0 BCADHN COC(C)(C)CN(C)[C@H]1CCNC1=O ZINC000533020276 387920678 /nfs/dbraw/zinc/92/06/78/387920678.db2.gz VYXFEHHWBGMPOQ-QMMMGPOBSA-N 0 3 200.282 0.232 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCC(=O)NC1CCCC1 ZINC000645799302 387928034 /nfs/dbraw/zinc/92/80/34/387928034.db2.gz UQQWVUPQDRIRSX-LLVKDONJSA-N 0 3 241.335 0.145 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@@H]1N[C@H]1CC1(C)C ZINC000423168428 387952303 /nfs/dbraw/zinc/95/23/03/387952303.db2.gz HJVKOELJAFUYGN-GUBZILKMSA-N 0 3 226.320 0.668 20 0 BCADHN CO[C@@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)C1CC1 ZINC000452983949 387953626 /nfs/dbraw/zinc/95/36/26/387953626.db2.gz GVNCEMIKSXHGRS-QJPTWQEYSA-N 0 3 238.331 0.574 20 0 BCADHN COC[C@H](O)CN1CCO[C@H]2CCCC[C@H]21 ZINC000245540979 387953728 /nfs/dbraw/zinc/95/37/28/387953728.db2.gz NMCHZVLNKZLSKX-UTUOFQBUSA-N 0 3 229.320 0.637 20 0 BCADHN CC1(CN2CCC[C@@H]2C(=O)NC2CC2)COC1 ZINC000438782812 387953721 /nfs/dbraw/zinc/95/37/21/387953721.db2.gz BATCYTBMEXXJMP-LLVKDONJSA-N 0 3 238.331 0.766 20 0 BCADHN CCC[C@@H](O)CN(CCO)CCOC ZINC000450349237 387954988 /nfs/dbraw/zinc/95/49/88/387954988.db2.gz UJQJJPMTIKJPSA-SNVBAGLBSA-N 0 3 205.298 0.088 20 0 BCADHN COC[C@@H](C)CC(=O)N1CCCN(C)CC1 ZINC000445645899 387955753 /nfs/dbraw/zinc/95/57/53/387955753.db2.gz ZYWRBVJARADSHN-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726688 387942439 /nfs/dbraw/zinc/94/24/39/387942439.db2.gz DBBJGEUQUUHWJV-SCVCMEIPSA-N 0 3 239.363 0.713 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NC1(CC)CC1 ZINC000423161471 387943711 /nfs/dbraw/zinc/94/37/11/387943711.db2.gz RXJKDPWWPHDQHX-VHSXEESVSA-N 0 3 226.320 0.812 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@@H]1NC[C@H]1CCCO1 ZINC000423162578 387944215 /nfs/dbraw/zinc/94/42/15/387944215.db2.gz UCRSHQWBZWCHQH-VWYCJHECSA-N 0 3 242.319 0.049 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CC(=O)N(CC)C1)N(C)C ZINC000452958377 387944560 /nfs/dbraw/zinc/94/45/60/387944560.db2.gz QPTZOEURPXBDAB-UWVGGRQHSA-N 0 3 241.335 0.064 20 0 BCADHN CC(=O)N(C)CC(=O)Nc1cc(C)cc(CN)c1 ZINC000424246034 387945172 /nfs/dbraw/zinc/94/51/72/387945172.db2.gz SQOZJQPXPNYPFS-UHFFFAOYSA-N 0 3 249.314 0.871 20 0 BCADHN CC[C@@H]1[C@H](CO)CCN1C(=O)CN(C)C(C)C ZINC000452963976 387946520 /nfs/dbraw/zinc/94/65/20/387946520.db2.gz UNXKINJZSWXADA-NWDGAFQWSA-N 0 3 242.363 0.946 20 0 BCADHN CCN(C(=O)CC1CCN(C)CC1)C1COC1 ZINC000452971261 387947269 /nfs/dbraw/zinc/94/72/69/387947269.db2.gz GQPQSAFTRYBAAX-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452969508 387947354 /nfs/dbraw/zinc/94/73/54/387947354.db2.gz DYLUOCFOCDXYOS-KXNHARMFSA-N 0 3 238.331 0.574 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@@H]21 ZINC000452967958 387947505 /nfs/dbraw/zinc/94/75/05/387947505.db2.gz CIZGNEUWIPTZON-HLTSFMKQSA-N 0 3 230.258 0.804 20 0 BCADHN CC[C@H](C)[C@@H](C)NC(=O)C(=O)N(C)[C@@H](C)CN ZINC000418925724 387948187 /nfs/dbraw/zinc/94/81/87/387948187.db2.gz RKRMCBHFDYVTFD-LPEHRKFASA-N 0 3 243.351 0.343 20 0 BCADHN CC[C@@H](C)[C@H](C)NC(=O)C(=O)N[C@H](C)CN ZINC000418923366 387948652 /nfs/dbraw/zinc/94/86/52/387948652.db2.gz MBNVBOOGLTWJTM-HLTSFMKQSA-N 0 3 229.324 0.001 20 0 BCADHN Cc1cncc(NC(=O)C[C@H]2CNCCO2)c1 ZINC000226401009 387949127 /nfs/dbraw/zinc/94/91/27/387949127.db2.gz VTYXBAURVVFJPH-NSHDSACASA-N 0 3 235.287 0.707 20 0 BCADHN CN(C)C1(CNS(=O)(=O)CC2CC2)CCC1 ZINC000445715915 387959123 /nfs/dbraw/zinc/95/91/23/387959123.db2.gz KCWCDJIIVAWMAG-UHFFFAOYSA-N 0 3 246.376 0.800 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1CC[C@H](C)O ZINC000438992616 387972125 /nfs/dbraw/zinc/97/21/25/387972125.db2.gz SMWYUUWNPZGKOH-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 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CC(C)NC(=O)NCCN(C)C[C@@H](O)C1CC1 ZINC000645813388 387979829 /nfs/dbraw/zinc/97/98/29/387979829.db2.gz LTROFANWDGORSI-LLVKDONJSA-N 0 3 243.351 0.397 20 0 BCADHN CNCc1nc(C2(N)CCCCC2)no1 ZINC000424338000 387980303 /nfs/dbraw/zinc/98/03/03/387980303.db2.gz MICMPHVQSNXEKV-UHFFFAOYSA-N 0 3 210.281 0.907 20 0 BCADHN Cc1ccccc1CN1C[C@H](O)C[C@H]1CO ZINC000245670830 387972505 /nfs/dbraw/zinc/97/25/05/387972505.db2.gz HWDUMFFGKOQKKB-QWHCGFSZSA-N 0 3 221.300 0.923 20 0 BCADHN COC(=O)[C@@H](O)C1CCN(CC[C@@H](C)O)CC1 ZINC000438993920 387974322 /nfs/dbraw/zinc/97/43/22/387974322.db2.gz XKNUZZFQWLEMCZ-KOLCDFICSA-N 0 3 245.319 0.003 20 0 BCADHN Cc1oncc1CN(CCO)C1CCOCC1 ZINC000445992256 387982400 /nfs/dbraw/zinc/98/24/00/387982400.db2.gz PADBCRILGKLFED-UHFFFAOYSA-N 0 3 240.303 0.956 20 0 BCADHN Cc1cc(CN[C@@H](C)CN(C)C)n(C)n1 ZINC000159104552 387983977 /nfs/dbraw/zinc/98/39/77/387983977.db2.gz MDAXSDRAQXHYRJ-JTQLQIEISA-N 0 3 210.325 0.768 20 0 BCADHN Cc1nccn1CCNC(=O)[C@H]1NCC1(C)C ZINC000645814149 387984789 /nfs/dbraw/zinc/98/47/89/387984789.db2.gz XPFTUCOMMYAYEM-SNVBAGLBSA-N 0 3 236.319 0.306 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCC[C@@H](O)C1 ZINC000439253039 387984918 /nfs/dbraw/zinc/98/49/18/387984918.db2.gz APBLTZJJPFYEOF-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CCC[C@@H](O)C1 ZINC000439253042 387985386 /nfs/dbraw/zinc/98/53/86/387985386.db2.gz APBLTZJJPFYEOF-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@H](CN1CCOCC1)N1CCCO[C@H](C)C1 ZINC000245937881 387997916 /nfs/dbraw/zinc/99/79/16/387997916.db2.gz AGPAHUJIWBFCCG-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN CCNC(=O)NC(=O)CN1CC[C@@H](C)[C@@H](C)C1 ZINC000245975538 387999594 /nfs/dbraw/zinc/99/95/94/387999594.db2.gz XAZSHWZUQXFACS-ZJUUUORDSA-N 0 3 241.335 0.810 20 0 BCADHN CO[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](F)CN2)C1(C)C ZINC000446289075 388011111 /nfs/dbraw/zinc/01/11/11/388011111.db2.gz PCXOLZQRCMVDMW-SGIHWFKDSA-N 0 3 244.310 0.616 20 0 BCADHN CN(C)CCN(C)C(=O)[C@]1(C)CCCO1 ZINC000446248636 388007700 /nfs/dbraw/zinc/00/77/00/388007700.db2.gz MAPFKUSAVSRUAY-NSHDSACASA-N 0 3 214.309 0.576 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H]1CCC[C@H](O)C1 ZINC000439523777 388007831 /nfs/dbraw/zinc/00/78/31/388007831.db2.gz NTWDFWKHWJQGNK-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H]1C[C@H](C)N1C[C@H](O)CN1CCOCC1 ZINC000548754121 388009624 /nfs/dbraw/zinc/00/96/24/388009624.db2.gz CJEPEODZXHIXQA-GRYCIOLGSA-N 0 3 228.336 0.162 20 0 BCADHN CC(C)OC[C@H](O)CN(C)[C@H](C)CO ZINC000252725703 135103108 /nfs/dbraw/zinc/10/31/08/135103108.db2.gz ALYLOLRYIZLDRO-NXEZZACHSA-N 0 3 205.298 0.085 20 0 BCADHN Cc1cc(CN)cc(NC(=O)N[C@@H](C)CO)c1 ZINC000424438588 388010983 /nfs/dbraw/zinc/01/09/83/388010983.db2.gz QEEXTTNKNINAOF-VIFPVBQESA-N 0 3 237.303 0.956 20 0 BCADHN CCN(C)C(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424460906 388012004 /nfs/dbraw/zinc/01/20/04/388012004.db2.gz ZJANQIRCAXQNJY-UHFFFAOYSA-N 0 3 249.314 0.871 20 0 BCADHN Cn1cc(CNC[C@@H](CO)Cc2ccco2)cn1 ZINC000533188363 388012401 /nfs/dbraw/zinc/01/24/01/388012401.db2.gz MONUMGQZSKCHFG-NSHDSACASA-N 0 3 249.314 0.954 20 0 BCADHN CC[C@H](C)CN(CCOC)[C@H](C)C(N)=O ZINC000246158498 388014259 /nfs/dbraw/zinc/01/42/59/388014259.db2.gz CZGMJDBCHNTJIP-VHSXEESVSA-N 0 3 216.325 0.855 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCOC1CCCC1 ZINC000081901226 388014353 /nfs/dbraw/zinc/01/43/53/388014353.db2.gz CRSMRTBXLDGSBM-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN CCOCCC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108341900 388015647 /nfs/dbraw/zinc/01/56/47/388015647.db2.gz JVAKNYPKRSQFIZ-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000108339513 388016017 /nfs/dbraw/zinc/01/60/17/388016017.db2.gz LQEVWRDXVNHINR-WDEREUQCSA-N 0 3 226.320 0.481 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1cn[nH]n1 ZINC000082238576 388017708 /nfs/dbraw/zinc/01/77/08/388017708.db2.gz JDSRSELCYSEKLG-UHFFFAOYSA-N 0 3 225.296 0.219 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)c1nnc(C)o1)N(C)C ZINC000533225014 388017793 /nfs/dbraw/zinc/01/77/93/388017793.db2.gz HVEGQUVDAVMVEP-IONNQARKSA-N 0 3 240.307 0.895 20 0 BCADHN O=C(Nc1ncccc1[O-])[C@H]1CCC[NH2+]C1 ZINC000082259472 388019056 /nfs/dbraw/zinc/01/90/56/388019056.db2.gz QAHHUYYILYHETH-QMMMGPOBSA-N 0 3 221.260 0.725 20 0 BCADHN CNCC(=O)N1CCN(C)Cc2ccccc21 ZINC000082276298 388021000 /nfs/dbraw/zinc/02/10/00/388021000.db2.gz XDVGEJXOXQGLMT-UHFFFAOYSA-N 0 3 233.315 0.684 20 0 BCADHN CO[C@H](C)C(=O)NC[C@H]1CCCN(C)C1 ZINC000108328516 388023461 /nfs/dbraw/zinc/02/34/61/388023461.db2.gz QORYBRPAEAMCCP-NXEZZACHSA-N 0 3 214.309 0.479 20 0 BCADHN CCC1(CC)CCN(CC(=O)NC(N)=O)C1 ZINC000446720063 388032531 /nfs/dbraw/zinc/03/25/31/388032531.db2.gz LIXFOUIWXZFFIE-UHFFFAOYSA-N 0 3 227.308 0.693 20 0 BCADHN COCCNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108537131 388033124 /nfs/dbraw/zinc/03/31/24/388033124.db2.gz UOKFCGQTGUGSPR-JTQLQIEISA-N 0 3 229.324 0.274 20 0 BCADHN CN1CCC[C@H](CNC(=O)NC2CC2)C1 ZINC000108537007 388033259 /nfs/dbraw/zinc/03/32/59/388033259.db2.gz CFEOIQDCZNMHJG-SECBINFHSA-N 0 3 211.309 0.790 20 0 BCADHN CCCN(C)CC(=O)NC[C@](C)(O)C1CC1 ZINC000440237050 388035140 /nfs/dbraw/zinc/03/51/40/388035140.db2.gz NVRFGMLNHAGHKN-LBPRGKRZSA-N 0 3 228.336 0.605 20 0 BCADHN C=Cn1cc(CNC[C@]2(O)CCN(C)C2)cn1 ZINC000446755949 388037159 /nfs/dbraw/zinc/03/71/59/388037159.db2.gz AVNRCNCSFXMKPW-GFCCVEGCSA-N 0 3 236.319 0.140 20 0 BCADHN CCc1cc(N2CCN(C(=O)CO)CC2)ccn1 ZINC000450409833 388037654 /nfs/dbraw/zinc/03/76/54/388037654.db2.gz YBLPITMZMFDKDI-UHFFFAOYSA-N 0 3 249.314 0.285 20 0 BCADHN CC[C@H](F)CN1CC[C@](C)(C(N)=O)C1 ZINC000440502896 388044678 /nfs/dbraw/zinc/04/46/78/388044678.db2.gz SNIXUUWEUCXJHT-WPRPVWTQSA-N 0 3 202.273 0.932 20 0 BCADHN O=C([C@@H]1CNCc2ccccc21)N1CCOCC1 ZINC000082796476 388041299 /nfs/dbraw/zinc/04/12/99/388041299.db2.gz JRWDMVJDTPXKPL-CYBMUJFWSA-N 0 3 246.310 0.732 20 0 BCADHN C[C@@H](CO)CNC(=O)NCC1(N(C)C)CCC1 ZINC000446624898 388029703 /nfs/dbraw/zinc/02/97/03/388029703.db2.gz QHZXRZQOQSRDMN-SNVBAGLBSA-N 0 3 243.351 0.398 20 0 BCADHN CC[C@H](F)CN(C[C@H](C)O)[C@H](C)CO ZINC000440519886 388051159 /nfs/dbraw/zinc/05/11/59/388051159.db2.gz UWCPHNQEJOQCAU-UTLUCORTSA-N 0 3 207.289 0.798 20 0 BCADHN COC[C@@H](N[C@H]1CCCCNC1=O)C(C)C ZINC000083409825 388051712 /nfs/dbraw/zinc/05/17/12/388051712.db2.gz DCHHOVXPWDBCIV-WDEREUQCSA-N 0 3 228.336 0.916 20 0 BCADHN COC[C@H](N[C@@H]1CCCCNC1=O)C(C)C ZINC000083409823 388052027 /nfs/dbraw/zinc/05/20/27/388052027.db2.gz DCHHOVXPWDBCIV-MNOVXSKESA-N 0 3 228.336 0.916 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@H]1CN(C)C[C@H]1C ZINC000453369278 388054749 /nfs/dbraw/zinc/05/47/49/388054749.db2.gz SZSTUMPHAIQANJ-WRWGMCAJSA-N 0 3 228.336 0.330 20 0 BCADHN CNCC(=O)N1CC[C@@H](OCc2ccncc2)C1 ZINC000440579442 388055902 /nfs/dbraw/zinc/05/59/02/388055902.db2.gz UJPNCJRFBNPNLY-GFCCVEGCSA-N 0 3 249.314 0.419 20 0 BCADHN CNCC(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000440576647 388056092 /nfs/dbraw/zinc/05/60/92/388056092.db2.gz RKJZQXPMCZVYEN-MNOVXSKESA-N 0 3 228.336 0.653 20 0 BCADHN CC[C@H](C)C[C@H](C)NC(=O)C(=O)NCCN ZINC000083863402 388063485 /nfs/dbraw/zinc/06/34/85/388063485.db2.gz WKKCTYHEQKDJQS-IUCAKERBSA-N 0 3 229.324 0.002 20 0 BCADHN NC1(C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000083836047 388063717 /nfs/dbraw/zinc/06/37/17/388063717.db2.gz NGLUZCGHCSHHJB-JTQLQIEISA-N 0 3 223.320 0.174 20 0 BCADHN Cc1cc(C2CCN(C(=O)[C@H](C)N)CC2)[nH]n1 ZINC000083932016 388067205 /nfs/dbraw/zinc/06/72/05/388067205.db2.gz AYARPECRTIOAQU-VIFPVBQESA-N 0 3 236.319 0.771 20 0 BCADHN CCN(C)C(=O)CN[C@@]1(CCOC)CCOC1 ZINC000447402899 388068261 /nfs/dbraw/zinc/06/82/61/388068261.db2.gz BMCKUBXOKHHCJJ-LBPRGKRZSA-N 0 3 244.335 0.250 20 0 BCADHN CCCNC(=O)CN[C@@]1(CCOC)CCOC1 ZINC000447404996 388070753 /nfs/dbraw/zinc/07/07/53/388070753.db2.gz MWQTYXZROHENDB-LBPRGKRZSA-N 0 3 244.335 0.298 20 0 BCADHN CC[C@H](N[C@H](COC)C1CC1)C(=O)NC ZINC000453401889 388073355 /nfs/dbraw/zinc/07/33/55/388073355.db2.gz LTEHYTHQAOODMR-VHSXEESVSA-N 0 3 214.309 0.526 20 0 BCADHN Cn1cccc1CNC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000084224867 388075752 /nfs/dbraw/zinc/07/57/52/388075752.db2.gz LYMSDGURTDUHSM-ZIAGYGMSSA-N 0 3 249.358 0.978 20 0 BCADHN C[C@H]1CC(NC(=O)C(=O)NCCN)C[C@H](C)C1 ZINC000084971952 388082178 /nfs/dbraw/zinc/08/21/78/388082178.db2.gz QWCXAEKURFWBFB-RKDXNWHRSA-N 0 3 241.335 0.002 20 0 BCADHN CCCN(C)CC(=O)NCCC[C@@H](C)O ZINC000447610036 388082564 /nfs/dbraw/zinc/08/25/64/388082564.db2.gz OWSILGUXICYWMA-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN CC(C)[C@H](C(=O)NCCC[C@H](C)O)N(C)C ZINC000447621007 388083396 /nfs/dbraw/zinc/08/33/96/388083396.db2.gz XKLPVDYWXCHODK-WDEREUQCSA-N 0 3 230.352 0.850 20 0 BCADHN CC(C)N(C)CC(=O)N(C)CCCCCO ZINC000447643899 388085723 /nfs/dbraw/zinc/08/57/23/388085723.db2.gz NEOAQSBGYLMLER-UHFFFAOYSA-N 0 3 230.352 0.948 20 0 BCADHN CCOC[C@H]1CCN([C@@H]2COC[C@H]2O)C1 ZINC000463099837 388087494 /nfs/dbraw/zinc/08/74/94/388087494.db2.gz UTEOCLJUIQOFIV-HBNTYKKESA-N 0 3 215.293 0.105 20 0 BCADHN CCCCOC[C@H](O)CN[C@](C)(CC)C(N)=O ZINC000195191667 388116306 /nfs/dbraw/zinc/11/63/06/388116306.db2.gz AYQAUVKHBJLTMG-ZYHUDNBSSA-N 0 3 246.351 0.408 20 0 BCADHN CC[C@H]1CN([C@@H]2COC[C@H]2O)CCCO1 ZINC000463214451 388089317 /nfs/dbraw/zinc/08/93/17/388089317.db2.gz KUPVQNUCVYJTSZ-HBNTYKKESA-N 0 3 215.293 0.247 20 0 BCADHN CCCC[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000085541501 388090260 /nfs/dbraw/zinc/09/02/60/388090260.db2.gz HBMUZCBGBPQQCX-AXFHLTTASA-N 0 3 226.320 0.894 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H]1CCCC(=O)N1 ZINC000447746605 388090294 /nfs/dbraw/zinc/09/02/94/388090294.db2.gz QIPILERJGNEHSQ-JTQLQIEISA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1CCCC(=O)N1)N(C)C ZINC000447752480 388091179 /nfs/dbraw/zinc/09/11/79/388091179.db2.gz GUJJAXUJHQRKJC-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)(C)c1noc(C[C@@H]2CNCCO2)n1 ZINC000085617335 388092875 /nfs/dbraw/zinc/09/28/75/388092875.db2.gz WQAZTIQQLJCUFU-MRVPVSSYSA-N 0 3 225.292 0.898 20 0 BCADHN CC(C)(C)c1noc(C[C@H]2CNCCO2)n1 ZINC000085617339 388093598 /nfs/dbraw/zinc/09/35/98/388093598.db2.gz WQAZTIQQLJCUFU-QMMMGPOBSA-N 0 3 225.292 0.898 20 0 BCADHN C[C@@H](O)CN(C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000464263259 388098167 /nfs/dbraw/zinc/09/81/67/388098167.db2.gz GRVVLDPLKQGOHY-GMTAPVOTSA-N 0 3 243.351 0.491 20 0 BCADHN C[C@@H](O)CN(C)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000464339385 388099468 /nfs/dbraw/zinc/09/94/68/388099468.db2.gz SWEHIXHROHZVAF-GMTAPVOTSA-N 0 3 243.351 0.491 20 0 BCADHN CCC(CC)[C@H](O)CNC(=O)[C@@H]1NCC1(C)C ZINC000645968377 388099587 /nfs/dbraw/zinc/09/95/87/388099587.db2.gz BHZBUGYIFLIHMP-MNOVXSKESA-N 0 3 242.363 0.898 20 0 BCADHN CN(C)CCNC(=O)c1ccc2ccncc2n1 ZINC000424534255 388101116 /nfs/dbraw/zinc/10/11/16/388101116.db2.gz ZVPMQPYOHPORJZ-UHFFFAOYSA-N 0 3 244.298 0.921 20 0 BCADHN O=C(CNC[C@H]1CCC=CO1)NCC1CC1 ZINC000194582274 388102759 /nfs/dbraw/zinc/10/27/59/388102759.db2.gz ULPZISFCHJJHGM-LLVKDONJSA-N 0 3 224.304 0.795 20 0 BCADHN CCOC[C@H](O)CNCc1c(C)nn(C)c1C ZINC000086507413 388104219 /nfs/dbraw/zinc/10/42/19/388104219.db2.gz TYNNMTYJBAOADN-LLVKDONJSA-N 0 3 241.335 0.524 20 0 BCADHN Cc1nn(C)cc1CN[C@@H](CO)[C@@H]1CCCO1 ZINC000447969122 388106470 /nfs/dbraw/zinc/10/64/70/388106470.db2.gz UPWBEWFGHRELCX-RYUDHWBXSA-N 0 3 239.319 0.358 20 0 BCADHN C[C@@H](CNC(=O)NC[C@H]1C[C@@H]1C)N(C)C ZINC000454266170 388110875 /nfs/dbraw/zinc/11/08/75/388110875.db2.gz IMVAYIZYFLJTSZ-LPEHRKFASA-N 0 3 213.325 0.892 20 0 BCADHN COC(=O)CC1(CN2CC[C@](C)(O)C2)CC1 ZINC000440508637 388046596 /nfs/dbraw/zinc/04/65/96/388046596.db2.gz NKGUYMVWUJTZHT-NSHDSACASA-N 0 3 227.304 0.786 20 0 BCADHN CC[C@H](F)CN[C@H](CC(N)=O)C1CCOCC1 ZINC000440510263 388047200 /nfs/dbraw/zinc/04/72/00/388047200.db2.gz XTYDQRBOHIHTRZ-WDEREUQCSA-N 0 3 246.326 0.995 20 0 BCADHN Cc1nn(C)cc1CNCC[C@H](C)[S@](C)=O ZINC000160168331 388049544 /nfs/dbraw/zinc/04/95/44/388049544.db2.gz MJISXUGTZGYSLW-XXFAHNHDSA-N 0 3 243.376 0.975 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@@H](O)Cn1cccn1 ZINC000646142333 388155916 /nfs/dbraw/zinc/15/59/16/388155916.db2.gz GYLBFLLUYZZLRJ-IJLUTSLNSA-N 0 3 239.319 0.089 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCCc1ccncc1C ZINC000645927893 388157452 /nfs/dbraw/zinc/15/74/52/388157452.db2.gz DEVHRSFPQYAWQI-QWHCGFSZSA-N 0 3 236.315 0.936 20 0 BCADHN COC[C@@H]1CCCN1C(=O)CCOC1CNC1 ZINC000646157101 388157917 /nfs/dbraw/zinc/15/79/17/388157917.db2.gz GEWKFXUBTJJKEB-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN COCCCNC(=O)NC[C@H](C)N(C)C ZINC000455426583 388159405 /nfs/dbraw/zinc/15/94/05/388159405.db2.gz DNHCPPWCYKGGJG-VIFPVBQESA-N 0 3 217.313 0.272 20 0 BCADHN C[C@@H](CNC(=O)N1CCO[C@@H](C)[C@H]1C)N(C)C ZINC000455428509 388159651 /nfs/dbraw/zinc/15/96/51/388159651.db2.gz HZIMUQFIFZQDFZ-AXFHLTTASA-N 0 3 243.351 0.755 20 0 BCADHN CC[C@@H](CO)NC(=O)NC[C@H](C)N(C)C ZINC000455429147 388159902 /nfs/dbraw/zinc/15/99/02/388159902.db2.gz JBZYGMNLNKYYDZ-IUCAKERBSA-N 0 3 217.313 0.007 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@@H]1NCC1(C)C ZINC000646193412 388162104 /nfs/dbraw/zinc/16/21/04/388162104.db2.gz BWWRIBZOFCQBEU-ZJUUUORDSA-N 0 3 228.336 0.652 20 0 BCADHN Cc1cc(=O)[nH]cc1NC(=O)[C@H]1CCN1 ZINC000646195070 388162190 /nfs/dbraw/zinc/16/21/90/388162190.db2.gz YCZXGXXCTCWHQB-SSDOTTSWSA-N 0 3 207.233 0.396 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000646209265 388164749 /nfs/dbraw/zinc/16/47/49/388164749.db2.gz CWWTXUBGOGJPDM-UKKRHICBSA-N 0 3 226.320 0.071 20 0 BCADHN CC[C@@](C)(NC(=O)[C@H](C)NC1CC1)C(=O)OC ZINC000449272552 388165526 /nfs/dbraw/zinc/16/55/26/388165526.db2.gz VINRDSYBGGUPIW-QPUJVOFHSA-N 0 3 242.319 0.585 20 0 BCADHN CCCN[C@H](C)C(=O)N1CCNC(=O)[C@H]1CC ZINC000449277760 388166738 /nfs/dbraw/zinc/16/67/38/388166738.db2.gz YIWWAKFTWCYRBW-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CCCN[C@H](C)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000449281154 388167152 /nfs/dbraw/zinc/16/71/52/388167152.db2.gz BTEXRUGYNTVFMW-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN O=C(CC1CC1)N[C@@H](CO)CN1CCCC1 ZINC000646220200 388167734 /nfs/dbraw/zinc/16/77/34/388167734.db2.gz LQURNKAEUOGLIT-LLVKDONJSA-N 0 3 226.320 0.359 20 0 BCADHN CNCC(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000646224219 388168064 /nfs/dbraw/zinc/16/80/64/388168064.db2.gz WFRZOMIUSLEPMC-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000646228531 388168429 /nfs/dbraw/zinc/16/84/29/388168429.db2.gz BYSXXISUCUVNTQ-AXFHLTTASA-N 0 3 228.336 0.901 20 0 BCADHN CNCC(=O)N1CCC[C@H]1c1cn(C)nc1C ZINC000646227316 388168572 /nfs/dbraw/zinc/16/85/72/388168572.db2.gz PGHNVDWJTDFZGF-NSHDSACASA-N 0 3 236.319 0.611 20 0 BCADHN CNCC(=O)N1CCC[C@@H]1c1cn(C)nc1C ZINC000646227315 388168655 /nfs/dbraw/zinc/16/86/55/388168655.db2.gz PGHNVDWJTDFZGF-LLVKDONJSA-N 0 3 236.319 0.611 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000646228533 388168669 /nfs/dbraw/zinc/16/86/69/388168669.db2.gz BYSXXISUCUVNTQ-GARJFASQSA-N 0 3 228.336 0.901 20 0 BCADHN COC[C@@H](CO)N[C@@H](C)Cc1ccoc1 ZINC000449303240 388169731 /nfs/dbraw/zinc/16/97/31/388169731.db2.gz WPYFJONIPIMJHN-GXSJLCMTSA-N 0 3 213.277 0.808 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000250118642 388170248 /nfs/dbraw/zinc/17/02/48/388170248.db2.gz UTNLAWYOSYLEPT-VHSXEESVSA-N 0 3 228.336 0.602 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000646252056 388170276 /nfs/dbraw/zinc/17/02/76/388170276.db2.gz QQDKNOVBWBUBQG-GXSJLCMTSA-N 0 3 248.330 0.901 20 0 BCADHN CCn1nnc(C)c1CN(C)CCN(C)C ZINC000449318150 388171537 /nfs/dbraw/zinc/17/15/37/388171537.db2.gz FLMCGDUNGUWFGP-UHFFFAOYSA-N 0 3 225.340 0.600 20 0 BCADHN CCC[C@H]1CNCCN1C(=O)[C@@H](C)NC1CC1 ZINC000449379702 388188378 /nfs/dbraw/zinc/18/83/78/388188378.db2.gz JQKDMVNFDQEOJV-PWSUYJOCSA-N 0 3 239.363 0.727 20 0 BCADHN CC(C)[C@](C)(O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456155287 388182105 /nfs/dbraw/zinc/18/21/05/388182105.db2.gz AXVSZQWHETUVMM-LOWVWBTDSA-N 0 3 240.347 0.556 20 0 BCADHN CC[C@@H](C)[C@@H](O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456170794 388183218 /nfs/dbraw/zinc/18/32/18/388183218.db2.gz QNSLVQNBHZHWOF-WRWGMCAJSA-N 0 3 240.347 0.556 20 0 BCADHN CSCCC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000261528314 135153632 /nfs/dbraw/zinc/15/36/32/135153632.db2.gz MVONYZJMDLFTOV-IUCAKERBSA-N 0 3 216.350 0.948 20 0 BCADHN COCCN(C)CCNC(=O)[C@H]1CC1(F)F ZINC000448876017 388117013 /nfs/dbraw/zinc/11/70/13/388117013.db2.gz VXBKZLLDQXQBTH-MRVPVSSYSA-N 0 3 236.262 0.336 20 0 BCADHN CCC[C@@H](OC)C(=O)NCCN(C)CCOC ZINC000448876643 388117169 /nfs/dbraw/zinc/11/71/69/388117169.db2.gz ZHMBNDFPNYAIIV-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN CC[C@@H](O)CC(=O)N1CCC[C@H]1CN(C)C ZINC000448879380 388117342 /nfs/dbraw/zinc/11/73/42/388117342.db2.gz AETFIYBJLAPTAD-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN CCN(CCNC(=O)CC1(O)CCC1)C1CC1 ZINC000448894539 388118819 /nfs/dbraw/zinc/11/88/19/388118819.db2.gz IGGIJSOEIDRQDA-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN CSCCC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000261528312 135153750 /nfs/dbraw/zinc/15/37/50/135153750.db2.gz MVONYZJMDLFTOV-BDAKNGLRSA-N 0 3 216.350 0.948 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NC(CF)CF ZINC000454622358 388125410 /nfs/dbraw/zinc/12/54/10/388125410.db2.gz AULFKSOAQLUWSM-VIFPVBQESA-N 0 3 235.278 0.687 20 0 BCADHN CCOCCCN[C@H](C)CS(=O)(=O)CC ZINC000162213136 388126074 /nfs/dbraw/zinc/12/60/74/388126074.db2.gz PNZQSMYPBWHCIM-SNVBAGLBSA-N 0 3 237.365 0.826 20 0 BCADHN CN(C)C[C@]1(O)CCCN(C(=O)C2(C)CC2)C1 ZINC000646023403 388126290 /nfs/dbraw/zinc/12/62/90/388126290.db2.gz UPFSOUQKRPFOEE-CYBMUJFWSA-N 0 3 240.347 0.702 20 0 BCADHN CCOCCCN(C)CCNC(C)=O ZINC000646045593 388131504 /nfs/dbraw/zinc/13/15/04/388131504.db2.gz OERNSRHJAFWVIM-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN CC(=O)NCCN(C)C[C@H](O)C(C)(C)C ZINC000646047558 388132308 /nfs/dbraw/zinc/13/23/08/388132308.db2.gz UYUXUXFGHOAWGF-JTQLQIEISA-N 0 3 216.325 0.461 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000646054476 388133055 /nfs/dbraw/zinc/13/30/55/388133055.db2.gz YWYUWDUPWLXKEO-RQJHMYQMSA-N 0 3 240.225 0.513 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000646054473 388133433 /nfs/dbraw/zinc/13/34/33/388133433.db2.gz YWYUWDUPWLXKEO-BQBZGAKWSA-N 0 3 240.225 0.513 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000646054475 388133451 /nfs/dbraw/zinc/13/34/51/388133451.db2.gz YWYUWDUPWLXKEO-RNFRBKRXSA-N 0 3 240.225 0.513 20 0 BCADHN CS(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000151624724 388135052 /nfs/dbraw/zinc/13/50/52/388135052.db2.gz SPFWKTSVIYNGFK-JTQLQIEISA-N 0 3 232.349 0.364 20 0 BCADHN CCS(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000151617260 388135090 /nfs/dbraw/zinc/13/50/90/388135090.db2.gz GKDFJOCYBGWSCC-LLVKDONJSA-N 0 3 246.376 0.754 20 0 BCADHN CC(C)[C@H](O)CN[C@@H](C)CS(C)(=O)=O ZINC000162263678 388138733 /nfs/dbraw/zinc/13/87/33/388138733.db2.gz GBJIDIKFKKWLOM-DTWKUNHWSA-N 0 3 223.338 0.026 20 0 BCADHN CSC[C@@H](C)N[C@H]1CCCS(=O)(=O)C1 ZINC000162273214 388140447 /nfs/dbraw/zinc/14/04/47/388140447.db2.gz XNLAMGWJFPRJHM-BDAKNGLRSA-N 0 3 237.390 0.905 20 0 BCADHN CSC[C@H](C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000162272853 388140628 /nfs/dbraw/zinc/14/06/28/388140628.db2.gz XNLAMGWJFPRJHM-DTWKUNHWSA-N 0 3 237.390 0.905 20 0 BCADHN CNC(=O)CN1CC2(C[C@@H]1C)CCOCC2 ZINC000646096196 388142401 /nfs/dbraw/zinc/14/24/01/388142401.db2.gz DAOFELWLTIEPAC-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)[C@H](C(=O)N1CC(C)(CO)C1)N(C)C ZINC000456229427 388186879 /nfs/dbraw/zinc/18/68/79/388186879.db2.gz JBZYWJQDFWXOAJ-SNVBAGLBSA-N 0 3 228.336 0.413 20 0 BCADHN CCC[C@@H](C(=O)N1CC(C)(CO)C1)N(C)C ZINC000456232437 388186947 /nfs/dbraw/zinc/18/69/47/388186947.db2.gz NYXQJCUNYLCUFG-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN CCn1nccc1NC(=O)NC[C@H](C)N(C)C ZINC000455067373 388147467 /nfs/dbraw/zinc/14/74/67/388147467.db2.gz SSZUOVXOIZIAMU-VIFPVBQESA-N 0 3 239.323 0.975 20 0 BCADHN COC(=O)[C@H](NC(=O)[C@H](C)NC1CC1)C1CC1 ZINC000449143844 388148108 /nfs/dbraw/zinc/14/81/08/388148108.db2.gz XVFPMFICKJLLLA-OIBJUYFYSA-N 0 3 240.303 0.195 20 0 BCADHN CO[C@@H](CNC(=O)NC[C@H](C)N(C)C)C1CC1 ZINC000455074340 388148155 /nfs/dbraw/zinc/14/81/55/388148155.db2.gz VPDZVFNCSMYKAF-ONGXEEELSA-N 0 3 243.351 0.661 20 0 BCADHN CCCN[C@H](C)C(=O)N[C@H](C(=O)NC)C(C)C ZINC000449165987 388151993 /nfs/dbraw/zinc/15/19/93/388151993.db2.gz YQYKPIRENWXQTG-ZJUUUORDSA-N 0 3 243.351 0.261 20 0 BCADHN C[C@H](N)C(=O)N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000646135935 388152102 /nfs/dbraw/zinc/15/21/02/388152102.db2.gz GGLRCRQHKKLZQT-DSYKOEDSSA-N 0 3 240.225 0.512 20 0 BCADHN CCCN[C@H](C)C(=O)NCC(=O)NCC1CC1 ZINC000449173947 388152280 /nfs/dbraw/zinc/15/22/80/388152280.db2.gz OOUIXIYNIZEIRQ-SECBINFHSA-N 0 3 241.335 0.017 20 0 BCADHN CCC[C@@H](NC(=O)[C@@H](C)NC1CC1)C(=O)OC ZINC000449173543 388152462 /nfs/dbraw/zinc/15/24/62/388152462.db2.gz NXXKJELYMRKOHT-PSASIEDQSA-N 0 3 242.319 0.585 20 0 BCADHN CS[C@H](C)CN[C@H](C)CS(C)(=O)=O ZINC000162340876 388154385 /nfs/dbraw/zinc/15/43/85/388154385.db2.gz VRLWHIVKTVARJO-HTQZYQBOSA-N 0 3 225.379 0.761 20 0 BCADHN CS[C@@H](C)CN[C@H](C)CS(C)(=O)=O ZINC000162340764 388154463 /nfs/dbraw/zinc/15/44/63/388154463.db2.gz VRLWHIVKTVARJO-SFYZADRCSA-N 0 3 225.379 0.761 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCC(=O)NC(C)(C)C ZINC000164906480 388249038 /nfs/dbraw/zinc/24/90/38/388249038.db2.gz QBYXMCZDBIIMKR-DTWKUNHWSA-N 0 3 216.325 0.508 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCC(=O)N(C)C1CC1 ZINC000164903514 388249241 /nfs/dbraw/zinc/24/92/41/388249241.db2.gz ZPTOPJYWDYJLNY-DTWKUNHWSA-N 0 3 214.309 0.214 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CNCCC1(F)F ZINC000449661711 388249601 /nfs/dbraw/zinc/24/96/01/388249601.db2.gz CYKRJNZYKLHBPQ-SECBINFHSA-N 0 3 249.305 0.442 20 0 BCADHN O=C(COCC1CC1)N[C@@H]1CNCCC1(F)F ZINC000449668800 388251007 /nfs/dbraw/zinc/25/10/07/388251007.db2.gz WZUITJNLTVRTLD-SECBINFHSA-N 0 3 248.273 0.526 20 0 BCADHN Cn1nccc1CNC[C@@]1(O)CCSC1 ZINC000165133612 388251183 /nfs/dbraw/zinc/25/11/83/388251183.db2.gz QJFHDPSMNLGORQ-JTQLQIEISA-N 0 3 227.333 0.378 20 0 BCADHN COCCN(CCO)C[C@@H](OC)C1CC1 ZINC000400296161 388260723 /nfs/dbraw/zinc/26/07/23/388260723.db2.gz ZLTRTVHLXRYFRP-LLVKDONJSA-N 0 3 217.309 0.352 20 0 BCADHN CCn1nccc1CN[C@H](C)CC(N)=O ZINC000163022667 388255712 /nfs/dbraw/zinc/25/57/12/388255712.db2.gz USMVWRWWNIFFEV-MRVPVSSYSA-N 0 3 210.281 0.257 20 0 BCADHN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)CN ZINC000490843356 388256799 /nfs/dbraw/zinc/25/67/99/388256799.db2.gz AXYHKCPIOZUARI-WCQYABFASA-N 0 3 234.299 0.800 20 0 BCADHN COCC(COC)NC(=O)CN(C)C(C)C ZINC000456268312 388190776 /nfs/dbraw/zinc/19/07/76/388190776.db2.gz WNWQQJCDCXCXRT-UHFFFAOYSA-N 0 3 232.324 0.104 20 0 BCADHN OCCN1CCCC[C@@H]1CNCc1cc[nH]n1 ZINC000449394369 388193542 /nfs/dbraw/zinc/19/35/42/388193542.db2.gz NWFOFUFPAKLWKF-GFCCVEGCSA-N 0 3 238.335 0.346 20 0 BCADHN CC[C@H](O)CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000488804408 388195846 /nfs/dbraw/zinc/19/58/46/388195846.db2.gz QHMNCWFMUPFFQS-ONGXEEELSA-N 0 3 243.351 0.539 20 0 BCADHN O[C@H]1COCCN(Cc2cccc3c[nH]nc32)C1 ZINC000449415877 388198789 /nfs/dbraw/zinc/19/87/89/388198789.db2.gz QZCZUKKAAFYVMV-GFCCVEGCSA-N 0 3 247.298 0.756 20 0 BCADHN C[C@@H]1C[C@H](CN2CCc3nn[nH]c3C2)CCO1 ZINC000489017821 388201985 /nfs/dbraw/zinc/20/19/85/388201985.db2.gz UQSAWFKWNBUSOB-NXEZZACHSA-N 0 3 236.319 0.978 20 0 BCADHN C[C@@H]1C[C@H](CN2CCc3n[nH]nc3C2)CCO1 ZINC000489017821 388201987 /nfs/dbraw/zinc/20/19/87/388201987.db2.gz UQSAWFKWNBUSOB-NXEZZACHSA-N 0 3 236.319 0.978 20 0 BCADHN CCC[C@H](C(=O)N[C@@H](C)CC(=O)NC)N(C)C ZINC000456500652 388205158 /nfs/dbraw/zinc/20/51/58/388205158.db2.gz HXEQNEQKCRKKTE-VHSXEESVSA-N 0 3 243.351 0.358 20 0 BCADHN CCC[C@@H](C(=O)N[C@H](C)CC(=O)NC)N(C)C ZINC000456500655 388205291 /nfs/dbraw/zinc/20/52/91/388205291.db2.gz HXEQNEQKCRKKTE-ZJUUUORDSA-N 0 3 243.351 0.358 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H](OC)[C@@H](OC)C1)N(C)C ZINC000489205684 388206224 /nfs/dbraw/zinc/20/62/24/388206224.db2.gz UCHMIXDTGUIWGM-GARJFASQSA-N 0 3 244.335 0.199 20 0 BCADHN CCN(C)C(=O)[C@@H](N[C@H]1CCOC1)C(C)C ZINC000449441101 388207196 /nfs/dbraw/zinc/20/71/96/388207196.db2.gz PEZXGDVSLSAQLA-QWRGUYRKSA-N 0 3 228.336 0.868 20 0 BCADHN COCCN(CCOCCO)[C@H]1CCO[C@H]1C ZINC000489414431 388211450 /nfs/dbraw/zinc/21/14/50/388211450.db2.gz ZZPRJNQAEPTBML-RYUDHWBXSA-N 0 3 247.335 0.121 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000489409598 388211768 /nfs/dbraw/zinc/21/17/68/388211768.db2.gz SLYWTSKQCVFSLC-VWYCJHECSA-N 0 3 243.351 0.539 20 0 BCADHN CN(CCN1C(=O)CNC1=O)[C@H]1CC1(C)C ZINC000489450710 388215511 /nfs/dbraw/zinc/21/55/11/388215511.db2.gz WUWUBPHKBDOXBI-QMMMGPOBSA-N 0 3 225.292 0.269 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000449505907 388220328 /nfs/dbraw/zinc/22/03/28/388220328.db2.gz ZOQHRUFGIQLVQO-GUBZILKMSA-N 0 3 225.336 0.336 20 0 BCADHN C[C@@H](Cn1cncn1)NC(=O)C1(N)CCCC1 ZINC000489878273 388227462 /nfs/dbraw/zinc/22/74/62/388227462.db2.gz IHLVFOGPEPFROL-VIFPVBQESA-N 0 3 237.307 0.054 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H](O)C1CCC1 ZINC000456866777 388228820 /nfs/dbraw/zinc/22/88/20/388228820.db2.gz JMAFDGVEKCPTLB-NSHDSACASA-N 0 3 228.336 0.604 20 0 BCADHN COC(=O)[C@H](NC(=O)[C@H](C)N)c1cccs1 ZINC000489955311 388229268 /nfs/dbraw/zinc/22/92/68/388229268.db2.gz MFUPPWSINQSNRC-POYBYMJQSA-N 0 3 242.300 0.426 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@@H](C)N)c1cccs1 ZINC000489955313 388229298 /nfs/dbraw/zinc/22/92/98/388229298.db2.gz MFUPPWSINQSNRC-SVRRBLITSA-N 0 3 242.300 0.426 20 0 BCADHN CC[C@H](C(=O)NC[C@H](O)C1CCC1)N(C)C ZINC000456871430 388229400 /nfs/dbraw/zinc/22/94/00/388229400.db2.gz RABRXIKEAZLANN-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN COCCN(C[C@@H](O)CSC)[C@H]1CCOC1 ZINC000490032828 388231655 /nfs/dbraw/zinc/23/16/55/388231655.db2.gz CHLZRLMVNCMYKM-WDEREUQCSA-N 0 3 249.376 0.448 20 0 BCADHN COCCN(CCC(C)(C)O)[C@@H]1CCOC1 ZINC000490074929 388233221 /nfs/dbraw/zinc/23/32/21/388233221.db2.gz VZSAMHHKMGZZHF-LLVKDONJSA-N 0 3 231.336 0.885 20 0 BCADHN Cc1nc(N(C)C)nc(N(C)CCN(C)C)n1 ZINC000490075003 388233500 /nfs/dbraw/zinc/23/35/00/388233500.db2.gz WJSHBUFEDJVYLL-UHFFFAOYSA-N 0 3 238.339 0.244 20 0 BCADHN Cc1nc(C2(NC(=O)CN)CCCC2)no1 ZINC000490080609 388234228 /nfs/dbraw/zinc/23/42/28/388234228.db2.gz OOARJSOQJQVFGX-UHFFFAOYSA-N 0 3 224.264 0.222 20 0 BCADHN CCOC(=O)CN1CCN(CC)C[C@H]1CC ZINC000449567669 388234864 /nfs/dbraw/zinc/23/48/64/388234864.db2.gz XITFPBSNTRYMFA-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000490132566 388235385 /nfs/dbraw/zinc/23/53/85/388235385.db2.gz JIEDYHOBSBRRJV-UWVGGRQHSA-N 0 3 235.287 0.067 20 0 BCADHN CC(C)(N)C(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000490206023 388236526 /nfs/dbraw/zinc/23/65/26/388236526.db2.gz VZQHLARHSWUZCI-VIFPVBQESA-N 0 3 241.335 0.228 20 0 BCADHN CCC[C@H](O)CN(CCOC)[C@@H]1CCOC1 ZINC000450875428 388260148 /nfs/dbraw/zinc/26/01/48/388260148.db2.gz NJAPHKSCLFCOJK-NEPJUHHUSA-N 0 3 231.336 0.885 20 0 BCADHN C[C@H]1CN(C(=O)c2ccc(CN)o2)CCN1 ZINC000646332308 388240706 /nfs/dbraw/zinc/24/07/06/388240706.db2.gz ASUSZLLLVPIXNM-QMMMGPOBSA-N 0 3 223.276 0.172 20 0 BCADHN C[C@H](O)CN1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000459450078 388244410 /nfs/dbraw/zinc/24/44/10/388244410.db2.gz YBROCKCYEDNREJ-QCNOEVLYSA-N 0 3 229.320 0.636 20 0 BCADHN CCOC(=O)[C@@H](CC)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451627970 388285314 /nfs/dbraw/zinc/28/53/14/388285314.db2.gz IBYXCFQJXPTOMS-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN CO[C@@H]1CCC[C@H]1N[C@@H]1CCN(C2CC2)C1=O ZINC000451623423 388285673 /nfs/dbraw/zinc/28/56/73/388285673.db2.gz LYVJNMOIQYKZQR-IJLUTSLNSA-N 0 3 238.331 0.907 20 0 BCADHN CN(C)CC1(NC(=O)C2CC(C)(O)C2)CCC1 ZINC000451628834 388285871 /nfs/dbraw/zinc/28/58/71/388285871.db2.gz CFQXMRRDCLYXSO-UHFFFAOYSA-N 0 3 240.347 0.748 20 0 BCADHN CCOC(=O)CCCN1C[C@@H](O)[C@H](OC)C1 ZINC000451748117 388293352 /nfs/dbraw/zinc/29/33/52/388293352.db2.gz IBNKPBHJSLSKJB-NXEZZACHSA-N 0 3 231.292 0.021 20 0 BCADHN Cc1ccn(CC(=O)N[C@@H](C)CN(C)C)n1 ZINC000451764997 388294447 /nfs/dbraw/zinc/29/44/47/388294447.db2.gz TWCLUARFGMARDZ-JTQLQIEISA-N 0 3 224.308 0.258 20 0 BCADHN CN(C)C/C=C\C(=O)NCCc1cnccn1 ZINC000492022193 388331879 /nfs/dbraw/zinc/33/18/79/388331879.db2.gz VMTNIGMEAXCCGD-ARJAWSKDSA-N 0 3 234.303 0.253 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)C1CCOCC1 ZINC000492047881 388331928 /nfs/dbraw/zinc/33/19/28/388331928.db2.gz ZIXQICYKKDMNNT-SNAWJCMRSA-N 0 3 226.320 0.742 20 0 BCADHN C[NH+](C)C/C=C\C(=O)[N-]OC[C@@H]1CCOC1 ZINC000492027460 388332108 /nfs/dbraw/zinc/33/21/08/388332108.db2.gz BGRXLFIRUMABHV-UMBAGQNISA-N 0 3 228.292 0.189 20 0 BCADHN CN(C)C/C=C\C(=O)NOC[C@@H]1CCOC1 ZINC000492027460 388332109 /nfs/dbraw/zinc/33/21/09/388332109.db2.gz BGRXLFIRUMABHV-UMBAGQNISA-N 0 3 228.292 0.189 20 0 BCADHN CSC[C@H](O)CN1CCC(OCCO)CC1 ZINC000492041211 388332470 /nfs/dbraw/zinc/33/24/70/388332470.db2.gz GDRSMVGHYZBKDY-SNVBAGLBSA-N 0 3 249.376 0.184 20 0 BCADHN Cc1noc([C@H](C)NC(=O)/C=C/CN(C)C)n1 ZINC000491687918 388310868 /nfs/dbraw/zinc/31/08/68/388310868.db2.gz YOOBNDMOJVNAAC-GJIOHYHPSA-N 0 3 238.291 0.673 20 0 BCADHN CO[C@H]1CCN(C(=O)/C=C\CN(C)C)C1 ZINC000492057482 388333016 /nfs/dbraw/zinc/33/30/16/388333016.db2.gz MCNUSUGBCYMDEM-LWTINBJPSA-N 0 3 212.293 0.352 20 0 BCADHN CSC[C@@](C)(O)CNC(=O)/C=C\CN(C)C ZINC000491841632 388324422 /nfs/dbraw/zinc/32/44/22/388324422.db2.gz CQTBRVDHCMVIPG-GZTOBOFZSA-N 0 3 246.376 0.334 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@]1(C)CCOC1 ZINC000491847679 388324636 /nfs/dbraw/zinc/32/46/36/388324636.db2.gz MJOFXPGEFSCCRD-ITKZLYELSA-N 0 3 226.320 0.647 20 0 BCADHN Cc1nc(CNC(=O)/C=C\CN(C)C)no1 ZINC000491842190 388324657 /nfs/dbraw/zinc/32/46/57/388324657.db2.gz DNFIZXYKQKJQFG-PLNGDYQASA-N 0 3 224.264 0.112 20 0 BCADHN CN(C)C/C=C\C(=O)NCC1(O)CCC1 ZINC000492058133 388333040 /nfs/dbraw/zinc/33/30/40/388333040.db2.gz NQFVMIQQQVNJRB-HYXAFXHYSA-N 0 3 212.293 0.135 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C/CN(C)C)CC[S@]1=O ZINC000491854290 388324820 /nfs/dbraw/zinc/32/48/20/388324820.db2.gz XRDXPYGFTJXMPF-AXIZZESMSA-N 0 3 244.360 0.084 20 0 BCADHN COCC1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000491865088 388325133 /nfs/dbraw/zinc/32/51/33/388325133.db2.gz GVSNWCVLMKBRAB-PLNGDYQASA-N 0 3 240.347 0.989 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)CCn1cccn1 ZINC000491862680 388325327 /nfs/dbraw/zinc/32/53/27/388325327.db2.gz CQYNLEWCDWSDIK-GQCTYLIASA-N 0 3 236.319 0.459 20 0 BCADHN C[C@H]1CN(C)CCN1C(=O)/C=C/CN(C)C ZINC000491869765 388325414 /nfs/dbraw/zinc/32/54/14/388325414.db2.gz NMXVTISRUGEUNA-QRGHLMKCSA-N 0 3 225.336 0.267 20 0 BCADHN CCN(CCC(=O)OC)C(=O)/C=C\CN(C)C ZINC000491883635 388326016 /nfs/dbraw/zinc/32/60/16/388326016.db2.gz LDNKBISNRCZRNE-SREVYHEPSA-N 0 3 242.319 0.516 20 0 BCADHN COCC[C@H](C)NC(=O)/C=C\CN(C)C ZINC000491883637 388326125 /nfs/dbraw/zinc/32/61/25/388326125.db2.gz LDNPLWIYZYMZHH-OMMCCPJFSA-N 0 3 214.309 0.645 20 0 BCADHN COC[C@@H](C)N(C)C(=O)/C=C\CN(C)C ZINC000491882240 388326204 /nfs/dbraw/zinc/32/62/04/388326204.db2.gz IFLGGEWFNZQOIA-JYESYGNLSA-N 0 3 214.309 0.598 20 0 BCADHN C[C@@H](CNC(=O)/C=C\CN(C)C)C[C@H](C)O ZINC000491903395 388326931 /nfs/dbraw/zinc/32/69/31/388326931.db2.gz GSDOBDJNHOQHSG-MXFLAHGMSA-N 0 3 228.336 0.627 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)/C=C\CN(C)C ZINC000491903396 388326994 /nfs/dbraw/zinc/32/69/94/388326994.db2.gz GSDOBDJNHOQHSG-OBOPVNRVSA-N 0 3 228.336 0.627 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)/C=C/CN(C)C ZINC000491913237 388327662 /nfs/dbraw/zinc/32/76/62/388327662.db2.gz KTJOYMUEJXXXHO-MVIFTORASA-N 0 3 228.336 0.627 20 0 BCADHN COCCN1CC[C@@H](NC(=O)/C=C\C2CC2)C1 ZINC000491930227 388328370 /nfs/dbraw/zinc/32/83/70/388328370.db2.gz WCXDRQXZSDELDU-QMAVJUDZSA-N 0 3 238.331 0.790 20 0 BCADHN CCN(C)C(=O)[C@@H](NCCOC)C(C)C ZINC000451313737 388261436 /nfs/dbraw/zinc/26/14/36/388261436.db2.gz NNEBQTDPIBCOAO-JTQLQIEISA-N 0 3 216.325 0.725 20 0 BCADHN CCN(C)C(=O)[C@@H](NC[C@H](C)O)C(C)C ZINC000451313993 388261481 /nfs/dbraw/zinc/26/14/81/388261481.db2.gz OEZGZXJZNOTDNF-UWVGGRQHSA-N 0 3 216.325 0.460 20 0 BCADHN Cc1ncc(CNCC2(O)CCC2)cn1 ZINC000336663008 388262057 /nfs/dbraw/zinc/26/20/57/388262057.db2.gz CKOVDVWNDYLCLQ-UHFFFAOYSA-N 0 3 207.277 0.790 20 0 BCADHN CCC[C@@H](N)C(=O)NC(CC)(CC)C(=O)OC ZINC000490979407 388263106 /nfs/dbraw/zinc/26/31/06/388263106.db2.gz XTLOYIKLAOVUHA-SECBINFHSA-N 0 3 244.335 0.962 20 0 BCADHN CN1CC[C@](O)(CNC(=O)/C=C\c2ccc[nH]2)C1 ZINC000491997455 388330937 /nfs/dbraw/zinc/33/09/37/388330937.db2.gz FQJDULPDFWWWGQ-ZFDPJTLLSA-N 0 3 249.314 0.211 20 0 BCADHN C[C@@]12CN(CC(=O)NC(N)=O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368143 388266119 /nfs/dbraw/zinc/26/61/19/388266119.db2.gz KWOISPDIBRIHQK-COMAGPEQSA-N 0 3 249.314 0.325 20 0 BCADHN CO[C@H](C)CN1CC[C@](O)(C(F)F)C1 ZINC000451426705 388269125 /nfs/dbraw/zinc/26/91/25/388269125.db2.gz IMJUFLFIDPXMHP-VXNVDRBHSA-N 0 3 209.236 0.723 20 0 BCADHN CO[C@@H](C)CN1CC[C@](O)(C(F)F)C1 ZINC000451426703 388269267 /nfs/dbraw/zinc/26/92/67/388269267.db2.gz IMJUFLFIDPXMHP-IONNQARKSA-N 0 3 209.236 0.723 20 0 BCADHN CC[C@@]1(CO)CCCN1C(=O)/C=C/CN(C)C ZINC000492003478 388331235 /nfs/dbraw/zinc/33/12/35/388331235.db2.gz RIWFHZMQDKIUQO-IYNGYCSASA-N 0 3 240.347 0.868 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCC[C@H](O)[C@H]1C ZINC000451449485 388274704 /nfs/dbraw/zinc/27/47/04/388274704.db2.gz BVZRPDVOPLKSDN-JFGNBEQYSA-N 0 3 245.319 0.146 20 0 BCADHN C[C@@H]1CN(CCN2CCC[C@H](O)[C@@H]2C)CCO1 ZINC000451449913 388274925 /nfs/dbraw/zinc/27/49/25/388274925.db2.gz CQOZYPOQNCGLIP-AGIUHOORSA-N 0 3 242.363 0.552 20 0 BCADHN CN(CCN1CC(C)(C(N)=O)C1)c1ccccc1 ZINC000645957816 388275581 /nfs/dbraw/zinc/27/55/81/388275581.db2.gz RXUFTQWUXJTFEE-UHFFFAOYSA-N 0 3 247.342 0.930 20 0 BCADHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)NC2CC2)C1(C)C ZINC000451516849 388278654 /nfs/dbraw/zinc/27/86/54/388278654.db2.gz ZJNQKSGHJPOHRZ-GGZOMVNGSA-N 0 3 240.347 0.914 20 0 BCADHN CC(C)(N)C(=O)NC[C@]1(C)CCOC1 ZINC000261529531 135156032 /nfs/dbraw/zinc/15/60/32/135156032.db2.gz AYXUQKDWJPLANB-JTQLQIEISA-N 0 3 200.282 0.267 20 0 BCADHN CCN(CCCO)C(=O)/C=C\CN(C)C ZINC000492285019 388340373 /nfs/dbraw/zinc/34/03/73/388340373.db2.gz 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ZINC000234791874 388359786 /nfs/dbraw/zinc/35/97/86/388359786.db2.gz YKMOISNLWBRTTB-NSHDSACASA-N 0 3 213.252 0.923 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000646451989 388360593 /nfs/dbraw/zinc/36/05/93/388360593.db2.gz PMQQCYYCQPNVGD-GUBZILKMSA-N 0 3 226.320 0.404 20 0 BCADHN CC(C)NC(=O)CN[C@H]1C[C@@H](O)C1(C)C ZINC000163331647 388361038 /nfs/dbraw/zinc/36/10/38/388361038.db2.gz XXYFXHXASFHFHD-DTWKUNHWSA-N 0 3 214.309 0.260 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N1CCN2CCC1CC2 ZINC000646450364 388361398 /nfs/dbraw/zinc/36/13/98/388361398.db2.gz QBZOWJLHQCUFMZ-VIFPVBQESA-N 0 3 247.289 0.276 20 0 BCADHN CNCC(=O)NC[C@H](C)c1nc(C)cs1 ZINC000646467250 388362676 /nfs/dbraw/zinc/36/26/76/388362676.db2.gz VUESRDYKAYASOH-ZETCQYMHSA-N 0 3 227.333 0.891 20 0 BCADHN CC[C@H](c1ccncc1)N(C)C(=O)CN ZINC000572644451 388363337 /nfs/dbraw/zinc/36/33/37/388363337.db2.gz CDINNEXXAKGZMT-SNVBAGLBSA-N 0 3 207.277 0.950 20 0 BCADHN CN(C)[C@H]1CN(Cc2nccs2)C[C@@H]1O ZINC000572682406 388364941 /nfs/dbraw/zinc/36/49/41/388364941.db2.gz XUSVRMYVIUGBAI-IUCAKERBSA-N 0 3 227.333 0.250 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@H]2NCC2(C)C)CC[C@H]1C ZINC000646486039 388365543 /nfs/dbraw/zinc/36/55/43/388365543.db2.gz RWLZXBJWIGEZED-GMTAPVOTSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCOC(C)(C)C ZINC000163716435 388366688 /nfs/dbraw/zinc/36/66/88/388366688.db2.gz JHGGLILTJKISBL-VIFPVBQESA-N 0 3 237.365 0.824 20 0 BCADHN CC(C)(C)OCCN[C@H]1CCCS(=O)(=O)C1 ZINC000163718725 388366899 /nfs/dbraw/zinc/36/68/99/388366899.db2.gz HVQLHDZEVYJGOJ-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCN2)CCO1 ZINC000235374287 388368411 /nfs/dbraw/zinc/36/84/11/388368411.db2.gz WASKCASVUHJIEC-OUAUKWLOSA-N 0 3 226.320 0.812 20 0 BCADHN C[C@H](CNC(=O)c1cncc(Cl)n1)N(C)C ZINC000235470879 388369921 /nfs/dbraw/zinc/36/99/21/388369921.db2.gz FHNBHIHINNYMEE-SSDOTTSWSA-N 0 3 242.710 0.810 20 0 BCADHN CC[C@@H](NCCC(N)=O)[C@H](O)C(F)(F)F ZINC000572762707 388371687 /nfs/dbraw/zinc/37/16/87/388371687.db2.gz BDXLNORMKWYVOG-VDTYLAMSSA-N 0 3 228.214 0.153 20 0 BCADHN COC[C@@H](O)CNCc1cc(F)ccc1OC ZINC000291286712 388374705 /nfs/dbraw/zinc/37/47/05/388374705.db2.gz VHUODORIPGDVAV-NSHDSACASA-N 0 3 243.278 0.931 20 0 BCADHN CCc1cnc(CNC(=O)[C@H]2NCC2(C)C)o1 ZINC000646528173 388375953 /nfs/dbraw/zinc/37/59/53/388375953.db2.gz YMDVECXMOILCAW-SNVBAGLBSA-N 0 3 237.303 0.851 20 0 BCADHN Cc1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000235888573 388376450 /nfs/dbraw/zinc/37/64/50/388376450.db2.gz XZSYLKXDYSPJAR-RYUDHWBXSA-N 0 3 207.273 0.532 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000646534754 388377916 /nfs/dbraw/zinc/37/79/16/388377916.db2.gz QOMNQDZWACIPRC-HBNTYKKESA-N 0 3 242.363 0.979 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@H](C)NC2CC2)no1 ZINC000646535407 388378079 /nfs/dbraw/zinc/37/80/79/388378079.db2.gz QYZFTSCOPVFZGK-ZETCQYMHSA-N 0 3 238.291 0.477 20 0 BCADHN CN(C)CCN(C(=O)c1cnc(N)cn1)C1CC1 ZINC000646542798 388379277 /nfs/dbraw/zinc/37/92/77/388379277.db2.gz XCHDNIBBSZYYQP-UHFFFAOYSA-N 0 3 249.318 0.225 20 0 BCADHN CCc1cc(N2CC[C@H](CO)[C@H](O)C2)ccn1 ZINC000572829269 388379832 /nfs/dbraw/zinc/37/98/32/388379832.db2.gz QXLXDDNHFMQAKU-ZWNOBZJWSA-N 0 3 236.315 0.824 20 0 BCADHN CC(C)[C@@](C)(O)CNCc1cncn1C ZINC000236607067 388380593 /nfs/dbraw/zinc/38/05/93/388380593.db2.gz SEUNYHAYUCKDCE-NSHDSACASA-N 0 3 211.309 0.917 20 0 BCADHN CSCC[C@@H](N)C(=O)Nc1cc[nH]n1 ZINC000163600719 388382640 /nfs/dbraw/zinc/38/26/40/388382640.db2.gz MVJKWTIUKNJODD-ZCFIWIBFSA-N 0 3 214.294 0.429 20 0 BCADHN CCC[C@H](N)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000236811582 388383364 /nfs/dbraw/zinc/38/33/64/388383364.db2.gz WSPZONLSPASNBE-GUBZILKMSA-N 0 3 213.325 0.323 20 0 BCADHN CCC[C@](C)(NC(=O)CNC)C(=O)OC ZINC000236806415 388383846 /nfs/dbraw/zinc/38/38/46/388383846.db2.gz REOSPQHLJGJAAR-JTQLQIEISA-N 0 3 216.281 0.054 20 0 BCADHN COc1c(N)ncnc1N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000572900041 388386673 /nfs/dbraw/zinc/38/66/73/388386673.db2.gz SSGKZXXBWDCMIA-DTWKUNHWSA-N 0 3 249.318 0.208 20 0 BCADHN CCC[C@@H]1CN(C(=O)[C@@H](N)CC)CCO1 ZINC000236931217 388387001 /nfs/dbraw/zinc/38/70/01/388387001.db2.gz BFUGSWJMENAWFU-ZJUUUORDSA-N 0 3 214.309 0.751 20 0 BCADHN NCc1cccc(NC(=O)[C@@H]2CCNC(=O)C2)c1 ZINC000646578108 388387413 /nfs/dbraw/zinc/38/74/13/388387413.db2.gz JXZZNBCWRQKOAG-SNVBAGLBSA-N 0 3 247.298 0.610 20 0 BCADHN CCC[C@H](NC(=O)CN)c1nnc2ccccn21 ZINC000236974856 388387474 /nfs/dbraw/zinc/38/74/74/388387474.db2.gz XHGGMBPUPZCLGJ-VIFPVBQESA-N 0 3 247.302 0.645 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)C(C)(C)N ZINC000237004297 388387904 /nfs/dbraw/zinc/38/79/04/388387904.db2.gz CIXHJWDARNGSJH-JGVFFNPUSA-N 0 3 202.298 0.247 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)C1(N)CC1 ZINC000237004329 388387934 /nfs/dbraw/zinc/38/79/34/388387934.db2.gz BGJKVYSXDWMZDE-JGVFFNPUSA-N 0 3 200.282 0.001 20 0 BCADHN COC[C@H](N)C(=O)Nc1cccc(CN)c1 ZINC000646579309 388388234 /nfs/dbraw/zinc/38/82/34/388388234.db2.gz VKPQVAXNHXMBSD-JTQLQIEISA-N 0 3 223.276 0.058 20 0 BCADHN Cc1ccc(N(C)C(=O)[C@@H]2C[C@@H](O)CN2)cc1 ZINC000237072085 388388737 /nfs/dbraw/zinc/38/87/37/388388737.db2.gz YJSSQBPXKFHFEP-NEPJUHHUSA-N 0 3 234.299 0.681 20 0 BCADHN CCC(=O)N[C@H](C)C(=O)Nc1cccc(CN)c1 ZINC000646580597 388389900 /nfs/dbraw/zinc/38/99/00/388389900.db2.gz GWCVUGLEAPOCHH-SECBINFHSA-N 0 3 249.314 0.999 20 0 BCADHN O=C(CNC1CC1)N1CCC[C@H]2COCC[C@H]21 ZINC000520218196 256665526 /nfs/dbraw/zinc/66/55/26/256665526.db2.gz PDIRUSZWHWSONR-CMPLNLGQSA-N 0 3 238.331 0.766 20 0 BCADHN COCc1ccc(CNC(=O)[C@@H](C)N)cc1 ZINC000237166947 388390929 /nfs/dbraw/zinc/39/09/29/388390929.db2.gz KEYPPKWWXRWECO-SECBINFHSA-N 0 3 222.288 0.796 20 0 BCADHN CN(C)CCN(C)C(=O)c1cn2c(n1)CCC2 ZINC000648807299 388391718 /nfs/dbraw/zinc/39/17/18/388391718.db2.gz VQIMSHKPIGLSCH-UHFFFAOYSA-N 0 3 236.319 0.463 20 0 BCADHN COC1(C(=O)N(C)CCN(C)C)CC1 ZINC000648807354 388391755 /nfs/dbraw/zinc/39/17/55/388391755.db2.gz YIMTWGOWHLUWGL-UHFFFAOYSA-N 0 3 200.282 0.185 20 0 BCADHN CC[C@@H]1OCC[C@H]1N[C@H]1CCCN(C)C1=O ZINC000572938120 388393106 /nfs/dbraw/zinc/39/31/06/388393106.db2.gz XCAHTMHNSHVNKV-VWYCJHECSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000237463340 388395132 /nfs/dbraw/zinc/39/51/32/388395132.db2.gz DDAYPEDCOXXXAB-FXPVBKGRSA-N 0 3 214.309 0.391 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(CCc2cnccn2)C1 ZINC000402883769 388395368 /nfs/dbraw/zinc/39/53/68/388395368.db2.gz AMCKFTKJVGOJCY-GHMZBOCLSA-N 0 3 221.304 0.722 20 0 BCADHN COC[C@](C)(O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000524747818 388406634 /nfs/dbraw/zinc/40/66/34/388406634.db2.gz MMBDZLSCLGGASS-ZYHUDNBSSA-N 0 3 246.351 0.086 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CC[C@@H](OC(C)C)C1 ZINC000572957486 388398840 /nfs/dbraw/zinc/39/88/40/388398840.db2.gz FBXOSWSUECAHDH-PWSUYJOCSA-N 0 3 245.319 0.410 20 0 BCADHN CC[C@@H](C(N)=O)n1cc([C@H](N)C(C)C)nn1 ZINC000300863452 388399716 /nfs/dbraw/zinc/39/97/16/388399716.db2.gz GTKWEAYRELVSCK-DTWKUNHWSA-N 0 3 225.296 0.370 20 0 BCADHN NCC(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000237977523 388400298 /nfs/dbraw/zinc/40/02/98/388400298.db2.gz UJCMLFFWVHOFBT-UHFFFAOYSA-N 0 3 238.678 0.563 20 0 BCADHN CN1CCC[C@H]1C(=O)NCCc1ccc(=O)[nH]c1 ZINC000572983713 388402727 /nfs/dbraw/zinc/40/27/27/388402727.db2.gz ZDWDLWKEXMRPFU-NSHDSACASA-N 0 3 249.314 0.540 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)CC1(O)CCCC1 ZINC000492206801 388338304 /nfs/dbraw/zinc/33/83/04/388338304.db2.gz GUCNPVYQKJAGLH-VOTSOKGWSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@@H](CCO)CNC(=O)/C=C\CN(C)C ZINC000492216708 388338378 /nfs/dbraw/zinc/33/83/78/388338378.db2.gz GNXBLHFQHWFXRB-LWTINBJPSA-N 0 3 214.309 0.239 20 0 BCADHN CN(C)CCNC(=O)/C=C/c1cccc(CO)c1 ZINC000492221052 388338537 /nfs/dbraw/zinc/33/85/37/388338537.db2.gz HXONPBJPNHSUBX-VOTSOKGWSA-N 0 3 248.326 0.870 20 0 BCADHN CN(C)C/C=C\C(=O)N1CC[C@@H](CCO)C1 ZINC000492246018 388339200 /nfs/dbraw/zinc/33/92/00/388339200.db2.gz CGTHUCXRSZSRRV-BYCRGOAPSA-N 0 3 226.320 0.335 20 0 BCADHN CN(C)C/C=C/C(=O)N1CC[C@@H](CCO)C1 ZINC000492246021 388339232 /nfs/dbraw/zinc/33/92/32/388339232.db2.gz CGTHUCXRSZSRRV-UFFNRZRYSA-N 0 3 226.320 0.335 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCOC2(CCC2)C1 ZINC000492257138 388339301 /nfs/dbraw/zinc/33/93/01/388339301.db2.gz DIRRCFYMMCHRCV-HYXAFXHYSA-N 0 3 238.331 0.886 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000492249714 388339487 /nfs/dbraw/zinc/33/94/87/388339487.db2.gz GVDXRXPDIXDOAJ-CBZSPVTBSA-N 0 3 224.304 0.157 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@]1(C)CCOC1 ZINC000492281549 388340130 /nfs/dbraw/zinc/34/01/30/388340130.db2.gz CYMTYPSPURALLI-DOGVGXBMSA-N 0 3 212.293 0.399 20 0 BCADHN CCS(=O)(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246245858 388441302 /nfs/dbraw/zinc/44/13/02/388441302.db2.gz SADOBHBHBIPGTL-VHSXEESVSA-N 0 3 234.365 0.751 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000070941850 388441527 /nfs/dbraw/zinc/44/15/27/388441527.db2.gz ORHFBXBTHWHANA-JTQLQIEISA-N 0 3 234.303 0.638 20 0 BCADHN CCN(CC)C(=O)CNC(C)(C)CN(C)C ZINC000308629633 388445188 /nfs/dbraw/zinc/44/51/88/388445188.db2.gz BSDVYQBCOOQJKJ-UHFFFAOYSA-N 0 3 229.368 0.785 20 0 BCADHN COC[C@@H]1CCCN([C@H](C)C(N)=O)C1 ZINC000246661731 388445498 /nfs/dbraw/zinc/44/54/98/388445498.db2.gz FUNIIBSXBIMVSV-RKDXNWHRSA-N 0 3 200.282 0.219 20 0 BCADHN CC(=O)CCC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000334596728 388446314 /nfs/dbraw/zinc/44/63/14/388446314.db2.gz VDXIMSKRYIYMGJ-ZDUSSCGKSA-N 0 3 238.331 0.910 20 0 BCADHN Cc1n[nH]cc1C(=O)NC(C)(C)CN(C)C ZINC000308679791 388447948 /nfs/dbraw/zinc/44/79/48/388447948.db2.gz YMOIVLHJUGQFAN-UHFFFAOYSA-N 0 3 224.308 0.788 20 0 BCADHN CC(=O)NCC(=O)Nc1cc(C)cc(CN)c1 ZINC000322889856 388450061 /nfs/dbraw/zinc/45/00/61/388450061.db2.gz DRBSARKOVUBUHZ-UHFFFAOYSA-N 0 3 235.287 0.528 20 0 BCADHN Cc1cnccc1NC(=O)[C@H](N)C1CCC1 ZINC000335537705 388451362 /nfs/dbraw/zinc/45/13/62/388451362.db2.gz AGEVILHTYIXIDP-LLVKDONJSA-N 0 3 219.288 0.878 20 0 BCADHN CC(C)N(C)CC(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000646743814 388452192 /nfs/dbraw/zinc/45/21/92/388452192.db2.gz WEOFBMDPIHTLCU-VHSXEESVSA-N 0 3 212.293 0.326 20 0 BCADHN C[C@H]1CCN(CCNC(=O)C2=CCOCC2)C1 ZINC000527262163 388456140 /nfs/dbraw/zinc/45/61/40/388456140.db2.gz VJNZEZGPTQHGNE-NSHDSACASA-N 0 3 238.331 0.791 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1C[C@@H](O)C(C)(C)C1 ZINC000336250876 388456675 /nfs/dbraw/zinc/45/66/75/388456675.db2.gz SEZDOCNODYXAFQ-DTWKUNHWSA-N 0 3 214.309 0.166 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1C[C@H](O)C(C)(C)C1 ZINC000336250877 388456779 /nfs/dbraw/zinc/45/67/79/388456779.db2.gz SEZDOCNODYXAFQ-IUCAKERBSA-N 0 3 214.309 0.166 20 0 BCADHN C[C@H](O)[C@H](C)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000514932316 388460652 /nfs/dbraw/zinc/46/06/52/388460652.db2.gz IJCSYTUFGBDINZ-NAKRPEOUSA-N 0 3 226.320 0.499 20 0 BCADHN CC(C)[C@](C)(CO)NCC(=O)N(C)C ZINC000336677919 388462274 /nfs/dbraw/zinc/46/22/74/388462274.db2.gz DMOWXHKEGJNAOR-JTQLQIEISA-N 0 3 202.298 0.071 20 0 BCADHN N[C@H](CC(F)F)C(=O)N1CCN(C2CC2)CC1 ZINC000336710144 388466354 /nfs/dbraw/zinc/46/63/54/388466354.db2.gz MYYRJBHRAQMLEF-SECBINFHSA-N 0 3 247.289 0.276 20 0 BCADHN COC1(C(=O)NCC2=CCN(C)CC2)CC1 ZINC000648852827 388470669 /nfs/dbraw/zinc/47/06/69/388470669.db2.gz ASAPPWOBLPHMJX-UHFFFAOYSA-N 0 3 224.304 0.544 20 0 BCADHN NCC(=O)N1CCOC[C@@H]1Cc1ccccc1 ZINC000083885161 256755725 /nfs/dbraw/zinc/75/57/25/256755725.db2.gz ULMZQKQHXQLLIB-LBPRGKRZSA-N 0 3 234.299 0.415 20 0 BCADHN CC[C@@H](O)CN(C)CCN1CCCC1=O ZINC000524756027 388408008 /nfs/dbraw/zinc/40/80/08/388408008.db2.gz MZBOJPJTKBTQFP-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@@H]2CCOC2)C1 ZINC000524775841 388409068 /nfs/dbraw/zinc/40/90/68/388409068.db2.gz VVVKYFWSAOIRPS-WDEREUQCSA-N 0 3 226.320 0.481 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)[C@H]1CCOC1 ZINC000134687968 388478790 /nfs/dbraw/zinc/47/87/90/388478790.db2.gz JABYSKBANMQBMD-GXSJLCMTSA-N 0 3 214.309 0.751 20 0 BCADHN Cc1cccc(CCNC2(C(N)=O)CC2)n1 ZINC000573115591 388420750 /nfs/dbraw/zinc/42/07/50/388420750.db2.gz CZUVHAGBVKZXHC-UHFFFAOYSA-N 0 3 219.288 0.540 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C[C@@H]1CCOC1 ZINC000177283169 388479482 /nfs/dbraw/zinc/47/94/82/388479482.db2.gz WULFTANQLRNFDN-NSHDSACASA-N 0 3 228.336 0.822 20 0 BCADHN CC(C)[C@@H](N)c1cn(CC(=O)N(C)C)nn1 ZINC000300871779 388422014 /nfs/dbraw/zinc/42/20/14/388422014.db2.gz HRSVAOGYPUSZDT-SNVBAGLBSA-N 0 3 225.296 0.022 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)Cc1cc[nH]n1 ZINC000525249578 388422162 /nfs/dbraw/zinc/42/21/62/388422162.db2.gz RXIPASTXNSRERE-JTQLQIEISA-N 0 3 236.319 0.505 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)Cc1ccn[nH]1 ZINC000525249578 388422169 /nfs/dbraw/zinc/42/21/69/388422169.db2.gz RXIPASTXNSRERE-JTQLQIEISA-N 0 3 236.319 0.505 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)Cc1cc[nH]n1 ZINC000525249579 388422238 /nfs/dbraw/zinc/42/22/38/388422238.db2.gz RXIPASTXNSRERE-SNVBAGLBSA-N 0 3 236.319 0.505 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)Cc1ccn[nH]1 ZINC000525249579 388422240 /nfs/dbraw/zinc/42/22/40/388422240.db2.gz RXIPASTXNSRERE-SNVBAGLBSA-N 0 3 236.319 0.505 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2cnc[nH]2)C1 ZINC000525291062 388425124 /nfs/dbraw/zinc/42/51/24/388425124.db2.gz FXWABICTZCPARK-SECBINFHSA-N 0 3 222.292 0.481 20 0 BCADHN CC[C@H](C)[N@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000177276473 388479644 /nfs/dbraw/zinc/47/96/44/388479644.db2.gz QAJDXDJTTVUBNT-QMMMGPOBSA-N 0 3 231.296 0.912 20 0 BCADHN CC[C@H](C)[N@@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000177276473 388479647 /nfs/dbraw/zinc/47/96/47/388479647.db2.gz QAJDXDJTTVUBNT-QMMMGPOBSA-N 0 3 231.296 0.912 20 0 BCADHN CC[C@H](C)[N@H+](C)CCCOC([O-])=NC(N)=O ZINC000177276473 388479648 /nfs/dbraw/zinc/47/96/48/388479648.db2.gz QAJDXDJTTVUBNT-QMMMGPOBSA-N 0 3 231.296 0.912 20 0 BCADHN CC[C@H](C)[N@@H+](C)CCCOC([O-])=NC(N)=O ZINC000177276473 388479650 /nfs/dbraw/zinc/47/96/50/388479650.db2.gz QAJDXDJTTVUBNT-QMMMGPOBSA-N 0 3 231.296 0.912 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000040806894 388426594 /nfs/dbraw/zinc/42/65/94/388426594.db2.gz WMGYEYAGVOWUHF-ZCFIWIBFSA-N 0 3 235.243 0.303 20 0 BCADHN C[C@@H]1CCN(CC(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000516085652 256764307 /nfs/dbraw/zinc/76/43/07/256764307.db2.gz QMHVFJMFBXUTKC-SVDPJWKOSA-N 0 3 224.304 0.089 20 0 BCADHN CC(=O)C[C@H](C)NC(=O)[C@@H]1CCN(C)[C@@H]1C ZINC000648837268 388432013 /nfs/dbraw/zinc/43/20/13/388432013.db2.gz IYSAGKVSBMYKMM-JMJZKYOTSA-N 0 3 226.320 0.810 20 0 BCADHN CC(C)[C@H]1CCN([C@@H]2CC(=O)NC2=O)C1 ZINC000573216765 388432404 /nfs/dbraw/zinc/43/24/04/388432404.db2.gz CJVWGYPYQWZZBW-DTWKUNHWSA-N 0 3 210.277 0.379 20 0 BCADHN C[C@@H](Cc1ccncc1)NC(=O)CNC1CC1 ZINC000514861108 256722693 /nfs/dbraw/zinc/72/26/93/256722693.db2.gz QFACZWVOWAYEHS-JTQLQIEISA-N 0 3 233.315 0.881 20 0 BCADHN CC(C)N(C)C(=O)c1ccn(CCN(C)C)n1 ZINC000573217633 388432837 /nfs/dbraw/zinc/43/28/37/388432837.db2.gz LFNDGCBUJXNSEV-UHFFFAOYSA-N 0 3 238.335 0.925 20 0 BCADHN CCCOCC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000261540068 135178702 /nfs/dbraw/zinc/17/87/02/135178702.db2.gz DRSIMJVQFGFIPH-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)[C@@H]1CN(CC[C@@H]2CCNC2=O)CCO1 ZINC000573263345 388436731 /nfs/dbraw/zinc/43/67/31/388436731.db2.gz WJKOMTVJTWFKGO-RYUDHWBXSA-N 0 3 240.347 0.869 20 0 BCADHN COC(=O)[C@H]1CCCN(C(=O)[C@H](N)C(C)C)C1 ZINC000573262605 388436871 /nfs/dbraw/zinc/43/68/71/388436871.db2.gz ODHXZEJBQNYBFG-VHSXEESVSA-N 0 3 242.319 0.381 20 0 BCADHN Cc1csc([C@@H](C)NC(=O)[C@H](C)N)n1 ZINC000070634195 388438028 /nfs/dbraw/zinc/43/80/28/388438028.db2.gz WWTSPQILQYWKGE-NKWVEPMBSA-N 0 3 213.306 0.976 20 0 BCADHN CCCS(=O)(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000246132620 388438983 /nfs/dbraw/zinc/43/89/83/388438983.db2.gz JSAANYLPYBKCLC-MNOVXSKESA-N 0 3 248.392 0.998 20 0 BCADHN CSCC[C@@H](N)C(=O)N(C)C[C@H]1CCOC1 ZINC000353214158 388540862 /nfs/dbraw/zinc/54/08/62/388540862.db2.gz QXSGFDOJJCVVOA-NXEZZACHSA-N 0 3 246.376 0.562 20 0 BCADHN CCN(CCCC(=O)NC)C1COC1 ZINC000517172548 388540893 /nfs/dbraw/zinc/54/08/93/388540893.db2.gz XYGPSAJQWBJMOA-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@H](C)C[C@@H](C)O ZINC000353212595 388541481 /nfs/dbraw/zinc/54/14/81/388541481.db2.gz MAAPUCXOTLJAPK-BBBLOLIVSA-N 0 3 248.392 0.590 20 0 BCADHN CC(C)C(=O)CCN1C[C@@H](CO)[C@H](CO)C1 ZINC000528598320 388550571 /nfs/dbraw/zinc/55/05/71/388550571.db2.gz KNOWHRVCVBODAR-QWRGUYRKSA-N 0 3 229.320 0.134 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)Cc1cc[nH]n1 ZINC000353665294 388542563 /nfs/dbraw/zinc/54/25/63/388542563.db2.gz SMNDZRVZXUVOHI-LLVKDONJSA-N 0 3 224.308 0.886 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCc1cnccn1 ZINC000353335000 388542911 /nfs/dbraw/zinc/54/29/11/388542911.db2.gz IIPRUCBRSOGBNM-NSHDSACASA-N 0 3 236.319 0.509 20 0 BCADHN CCc1cc(CNC(=O)CNCCOC)on1 ZINC000517233811 388543207 /nfs/dbraw/zinc/54/32/07/388543207.db2.gz COSGNIVJCYSUFC-UHFFFAOYSA-N 0 3 241.291 0.089 20 0 BCADHN CC[C@@H](C(N)=O)N(C)CCCOC(C)C ZINC000354223173 388543729 /nfs/dbraw/zinc/54/37/29/388543729.db2.gz NORSYIUTFQRQEV-JTQLQIEISA-N 0 3 216.325 0.997 20 0 BCADHN CC1(C)CC(CN[C@@]2(C(N)=O)CCOC2)C1 ZINC000528538256 388544709 /nfs/dbraw/zinc/54/47/09/388544709.db2.gz KWFPWMGPFCSMMA-LBPRGKRZSA-N 0 3 226.320 0.657 20 0 BCADHN CNS(=O)(=O)NC[C@H]1CCN1C1CCCC1 ZINC000528554184 388545820 /nfs/dbraw/zinc/54/58/20/388545820.db2.gz SOQNLXPPPXRIMV-SNVBAGLBSA-N 0 3 247.364 0.057 20 0 BCADHN COC[C@H](O)CCNCc1conc1C ZINC000339333354 388482331 /nfs/dbraw/zinc/48/23/31/388482331.db2.gz MSJMUEQZBYXYCT-SNVBAGLBSA-N 0 3 214.265 0.470 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCOC(F)(F)F ZINC000084178071 135190129 /nfs/dbraw/zinc/19/01/29/135190129.db2.gz BEOKWKKROJUIMD-LURJTMIESA-N 0 3 249.254 0.546 20 0 BCADHN Cc1nocc1CNCCCOCCO ZINC000339342959 388483244 /nfs/dbraw/zinc/48/32/44/388483244.db2.gz IGWHXSSMABOQIN-UHFFFAOYSA-N 0 3 214.265 0.472 20 0 BCADHN C=Cn1cc(CN[C@H]2CCC[C@@H]2O)cn1 ZINC000194325842 388485724 /nfs/dbraw/zinc/48/57/24/388485724.db2.gz SCTLWEAHMNOCKZ-QWRGUYRKSA-N 0 3 207.277 0.987 20 0 BCADHN CCn1ccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000648911430 388488658 /nfs/dbraw/zinc/48/86/58/388488658.db2.gz LXUTYQXNTJFTIO-JQWIXIFHSA-N 0 3 248.330 0.679 20 0 BCADHN CCn1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000648911432 388488790 /nfs/dbraw/zinc/48/87/90/388488790.db2.gz LXUTYQXNTJFTIO-ZYHUDNBSSA-N 0 3 248.330 0.679 20 0 BCADHN COC1(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)CC1 ZINC000648911788 388488853 /nfs/dbraw/zinc/48/88/53/388488853.db2.gz SGRKAYMSDGXOQO-NXEZZACHSA-N 0 3 224.304 0.328 20 0 BCADHN CCS(=O)(=O)NCCN(C)CCC1CC1 ZINC000135285559 388489370 /nfs/dbraw/zinc/48/93/70/388489370.db2.gz RHMUYAALJPMEMO-UHFFFAOYSA-N 0 3 234.365 0.658 20 0 BCADHN CC[C@H]1CN(CC(=O)N(C)C(C)C)C[C@H]1O ZINC000341006626 388493751 /nfs/dbraw/zinc/49/37/51/388493751.db2.gz HQIBQXKMCRXIOT-WDEREUQCSA-N 0 3 228.336 0.556 20 0 BCADHN CC[C@H]1CN(CCn2cc(C)cn2)C[C@H]1O ZINC000341006903 388494107 /nfs/dbraw/zinc/49/41/07/388494107.db2.gz DVXXHTPRCUZCTL-NWDGAFQWSA-N 0 3 223.320 0.894 20 0 BCADHN Cn1nncc1CNC[C@H]1CCC[C@H](CO)C1 ZINC000342270374 388497266 /nfs/dbraw/zinc/49/72/66/388497266.db2.gz QJBVAMGYYQAXBV-QWRGUYRKSA-N 0 3 238.335 0.703 20 0 BCADHN COC(C)(C)C(=O)NCC1(N(C)C)CC1 ZINC000397801268 388500090 /nfs/dbraw/zinc/50/00/90/388500090.db2.gz CBBFWLALYXZJGF-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN CN1CCC(O)(CNC(=O)C2CCC2)CC1 ZINC000343631566 388501126 /nfs/dbraw/zinc/50/11/26/388501126.db2.gz YQXLMCMGINFZBS-UHFFFAOYSA-N 0 3 226.320 0.359 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCSC[C@@H]1CO ZINC000343709492 388502855 /nfs/dbraw/zinc/50/28/55/388502855.db2.gz KWSYJSFIALPYMX-VHSXEESVSA-N 0 3 233.377 0.803 20 0 BCADHN CCC[C@@H](CN[C@H](C)C(=O)NCC)OC ZINC000378788037 388503800 /nfs/dbraw/zinc/50/38/00/388503800.db2.gz HLJRKHWZNWQLGY-ZJUUUORDSA-N 0 3 216.325 0.916 20 0 BCADHN CCC[C@@H](CN[C@@H](C)C(=O)NCC)OC ZINC000378788035 388504153 /nfs/dbraw/zinc/50/41/53/388504153.db2.gz HLJRKHWZNWQLGY-UWVGGRQHSA-N 0 3 216.325 0.916 20 0 BCADHN O=C(C[C@@H]1CSCCN1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397844062 388505120 /nfs/dbraw/zinc/50/51/20/388505120.db2.gz WWBNFBQHCRYVHR-LMLFDSFASA-N 0 3 240.372 0.996 20 0 BCADHN CC(C)(C)OC(=O)[C@H]1CCN(CCO)C1 ZINC000178838206 388506450 /nfs/dbraw/zinc/50/64/50/388506450.db2.gz BYQMWSAGFGRSBP-VIFPVBQESA-N 0 3 215.293 0.642 20 0 BCADHN Cc1cc(CNCC2(N(C)C)CC2)n(C)n1 ZINC000397867506 388507438 /nfs/dbraw/zinc/50/74/38/388507438.db2.gz IAJWZHAQTYYTCJ-UHFFFAOYSA-N 0 3 222.336 0.912 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H](C)c1ccccn1 ZINC000135808268 388509469 /nfs/dbraw/zinc/50/94/69/388509469.db2.gz JDOQFPMJZRUTFS-BDAKNGLRSA-N 0 3 207.277 0.996 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN1[C@H](C)C[C@@H]1C ZINC000548096620 388511076 /nfs/dbraw/zinc/51/10/76/388511076.db2.gz AZMYWSWMIACRFJ-WHOHXGKFSA-N 0 3 231.336 0.882 20 0 BCADHN CC[C@]1(O)CCN([C@H]2CCCN(C)C2=O)C1 ZINC000548629783 388549547 /nfs/dbraw/zinc/54/95/47/388549547.db2.gz UPKUSXXBUQREBD-JQWIXIFHSA-N 0 3 226.320 0.454 20 0 BCADHN Cn1ccc(CN[C@@H]2CCn3ccnc3C2)n1 ZINC000548623022 388549559 /nfs/dbraw/zinc/54/95/59/388549559.db2.gz WCSPXQPYQWXHSA-SNVBAGLBSA-N 0 3 231.303 0.721 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H](C)CCC1CC1 ZINC000398146789 388517172 /nfs/dbraw/zinc/51/71/72/388517172.db2.gz DLDZZRYOBNNKHK-WCBMZHEXSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@@H]1CN(C)CCN1C[C@@H](O)CC1(O)CCC1 ZINC000528381251 388517637 /nfs/dbraw/zinc/51/76/37/388517637.db2.gz PNPYFCJFYATKCC-NEPJUHHUSA-N 0 3 242.363 0.288 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCOCC2(C)C)C1 ZINC000520834711 388519175 /nfs/dbraw/zinc/51/91/75/388519175.db2.gz LBLADWYJRMNFEA-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CN(CCNC(=O)CCC(C)(C)O)C1CC1 ZINC000516835857 388520175 /nfs/dbraw/zinc/52/01/75/388520175.db2.gz ZZSOBRGHNIVBSX-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1cccnn1 ZINC000528413025 388521323 /nfs/dbraw/zinc/52/13/23/388521323.db2.gz DARVMABAGGOJMZ-UHFFFAOYSA-N 0 3 234.303 0.644 20 0 BCADHN CN[C@@H](C)C(=O)Nc1nncn1-c1ccccc1 ZINC000516878072 388522952 /nfs/dbraw/zinc/52/29/52/388522952.db2.gz WRDXCESOTGGTTN-VIFPVBQESA-N 0 3 245.286 0.814 20 0 BCADHN CCN(CC)C(=O)CN(C)[C@@H](C)C(C)(C)O ZINC000347720395 388523825 /nfs/dbraw/zinc/52/38/25/388523825.db2.gz OCKLUEVHFGIQLJ-JTQLQIEISA-N 0 3 230.352 0.946 20 0 BCADHN CC1(C)CC(CN2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000528427147 388524209 /nfs/dbraw/zinc/52/42/09/388524209.db2.gz OATFOGCIYWOCOC-JTQLQIEISA-N 0 3 246.376 0.785 20 0 BCADHN CCCN1CCCN(C(=O)[C@H](N)CC)CC1=O ZINC000516925807 388525142 /nfs/dbraw/zinc/52/51/42/388525142.db2.gz GPCNKLQOYAIXNS-SNVBAGLBSA-N 0 3 241.335 0.195 20 0 BCADHN C[C@H](CN[C@H]1CSC1(C)C)S(C)(=O)=O ZINC000516966645 388528477 /nfs/dbraw/zinc/52/84/77/388528477.db2.gz XOLIRAFVTGDAKB-SFYZADRCSA-N 0 3 237.390 0.903 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN[C@@H]1CCC[C@@H]1F ZINC000516965933 388529001 /nfs/dbraw/zinc/52/90/01/388529001.db2.gz RNSHKTIAEUKFIN-FIQHERPVSA-N 0 3 249.326 0.879 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC2(O)CCC2)CC[C@H]1O ZINC000528464481 388529907 /nfs/dbraw/zinc/52/99/07/388529907.db2.gz LYXVUQPNVJQYDF-IJLUTSLNSA-N 0 3 243.347 0.355 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@]12CCOC2 ZINC000516988285 388531227 /nfs/dbraw/zinc/53/12/27/388531227.db2.gz OVQMJZJPKQGVJX-NHCYSSNCSA-N 0 3 226.320 0.479 20 0 BCADHN CC[C@](C)(NCCn1nc(C)cc1C)C(N)=O ZINC000351233079 388531531 /nfs/dbraw/zinc/53/15/31/388531531.db2.gz ZDDKGJMVGKBLQY-LBPRGKRZSA-N 0 3 238.335 0.744 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1C[C@@H](C)[C@H](O)C1 ZINC000351773086 388531973 /nfs/dbraw/zinc/53/19/73/388531973.db2.gz BSPBAOZMVRZQJI-OUAUKWLOSA-N 0 3 228.336 0.556 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1C[C@H](C)[C@H](O)C1 ZINC000351773085 388532875 /nfs/dbraw/zinc/53/28/75/388532875.db2.gz BSPBAOZMVRZQJI-GARJFASQSA-N 0 3 228.336 0.556 20 0 BCADHN CC1(C)CN(C[C@H](O)CC2(O)CCC2)C[C@H]1O ZINC000528485532 388533904 /nfs/dbraw/zinc/53/39/04/388533904.db2.gz RSQVONIDHUCIGP-GHMZBOCLSA-N 0 3 243.347 0.355 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)C1)N(C)C ZINC000517033603 388535154 /nfs/dbraw/zinc/53/51/54/388535154.db2.gz WSTXDCHHQRTDQJ-DTWKUNHWSA-N 0 3 212.293 0.422 20 0 BCADHN Cn1cnc(NC2CCN(C3CC3)CC2)cc1=O ZINC000517040827 388536065 /nfs/dbraw/zinc/53/60/65/388536065.db2.gz ZCSCVUAZFYJTCM-UHFFFAOYSA-N 0 3 248.330 0.819 20 0 BCADHN CCS(=O)(=O)NCCCN1[C@H](C)C[C@@H]1C ZINC000548424958 388536383 /nfs/dbraw/zinc/53/63/83/388536383.db2.gz IOTKVXURDMBDKG-AOOOYVTPSA-N 0 3 234.365 0.799 20 0 BCADHN CCO[C@H](C)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000261546609 388587309 /nfs/dbraw/zinc/58/73/09/388587309.db2.gz LAPVOASQCDTALD-OPRDCNLKSA-N 0 3 214.309 0.620 20 0 BCADHN Cc1n[nH]cc1CN1C[C@H](C(N)=O)CC[C@H]1C ZINC000245547959 388588602 /nfs/dbraw/zinc/58/86/02/388588602.db2.gz XAQHRTLUMJDRQX-PSASIEDQSA-N 0 3 236.319 0.804 20 0 BCADHN COc1cc(CNC(=O)CN)ccc1C ZINC000261547800 388589376 /nfs/dbraw/zinc/58/93/76/388589376.db2.gz MTUBJEQKNGHSMA-UHFFFAOYSA-N 0 3 208.261 0.579 20 0 BCADHN CN(C[C@H]1CCCC[C@H]1O)[C@H]1CCN(C)C1=O ZINC000245563529 388590211 /nfs/dbraw/zinc/59/02/11/388590211.db2.gz YNIKKVSLEOWVLS-GRYCIOLGSA-N 0 3 240.347 0.700 20 0 BCADHN CC1(C(=O)N[C@@H]2CCN(C3CC3)C2)COC1 ZINC000253427516 388591906 /nfs/dbraw/zinc/59/19/06/388591906.db2.gz VLEGKBYIYSRBLC-SECBINFHSA-N 0 3 224.304 0.376 20 0 BCADHN CC[C@H](O)CN(C)CCN1CCCC1=O ZINC000549844324 388592584 /nfs/dbraw/zinc/59/25/84/388592584.db2.gz MZBOJPJTKBTQFP-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN CC[C@@H](C(=O)NCC(F)(F)CO)N(C)C ZINC000186078966 388597717 /nfs/dbraw/zinc/59/77/17/388597717.db2.gz VMYBDBBPCRYQRP-ZETCQYMHSA-N 0 3 224.251 0.070 20 0 BCADHN O=C(Nc1ccc[nH]c1=O)[C@H]1CCCCN1 ZINC000649314073 388601618 /nfs/dbraw/zinc/60/16/18/388601618.db2.gz JCDWALFXNJAXNW-MRVPVSSYSA-N 0 3 221.260 0.868 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1ccc[nH]c1=O ZINC000649314292 388603085 /nfs/dbraw/zinc/60/30/85/388603085.db2.gz YLJJUOXINRHCKV-MRVPVSSYSA-N 0 3 209.249 0.709 20 0 BCADHN C[C@@H](CN1CCCCCC1)NS(C)(=O)=O ZINC000186771888 388603530 /nfs/dbraw/zinc/60/35/30/388603530.db2.gz DOMMVHGBIBTEEF-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN Cc1ccc(CN[C@@H]2CCOC[C@H]2O)nc1 ZINC000623767082 388604960 /nfs/dbraw/zinc/60/49/60/388604960.db2.gz PMOPWAUIRJXSPX-VXGBXAGGSA-N 0 3 222.288 0.629 20 0 BCADHN COC(C)(C)CN(C)C[C@H]1CNCCO1 ZINC000379292716 388605608 /nfs/dbraw/zinc/60/56/08/388605608.db2.gz KZSHFVRDDBICEJ-SNVBAGLBSA-N 0 3 216.325 0.332 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1COC1 ZINC000530116490 388611310 /nfs/dbraw/zinc/61/13/10/388611310.db2.gz QPACEXFDUZAWKE-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)N2CCCNCC2)C1 ZINC000627254388 388613300 /nfs/dbraw/zinc/61/33/00/388613300.db2.gz UZVHEUMLGJWFAK-PHIMTYICSA-N 0 3 241.335 0.416 20 0 BCADHN C[C@H](c1cccnc1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000528610833 388550978 /nfs/dbraw/zinc/55/09/78/388550978.db2.gz ZSHVMRZDOYCYHQ-WXHSDQCUSA-N 0 3 236.315 0.675 20 0 BCADHN COC1(C)CN(C[C@@H](O)CN(C)C2CC2)C1 ZINC000357434698 388551758 /nfs/dbraw/zinc/55/17/58/388551758.db2.gz FOARENBBTOVGBQ-NSHDSACASA-N 0 3 228.336 0.162 20 0 BCADHN CN1CCC[C@@H](CNC(=O)C2CC(=O)C2)C1 ZINC000136997218 388553707 /nfs/dbraw/zinc/55/37/07/388553707.db2.gz PNNLEZAJJVGMKL-VIFPVBQESA-N 0 3 224.304 0.424 20 0 BCADHN C[C@H](NCC[C@@H]1CCNC1=O)c1ccn(C)n1 ZINC000517584886 388554872 /nfs/dbraw/zinc/55/48/72/388554872.db2.gz YNFKZDFLNSQMGJ-VHSXEESVSA-N 0 3 236.319 0.597 20 0 BCADHN CCC1(C)CN(C[C@@H](O)CN2CCOCC2)C1 ZINC000359500207 388556267 /nfs/dbraw/zinc/55/62/67/388556267.db2.gz AZACIEAKFZHOSA-LBPRGKRZSA-N 0 3 242.363 0.411 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000528663799 388556717 /nfs/dbraw/zinc/55/67/17/388556717.db2.gz UQJCMYLPTJBFHA-NZHYYXIDSA-N 0 3 228.336 0.898 20 0 BCADHN CCNC(=O)CN[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528753740 388560712 /nfs/dbraw/zinc/56/07/12/388560712.db2.gz MJBPMNFQRQKEFS-REIXXSIJSA-N 0 3 214.309 0.524 20 0 BCADHN COCC[C@H]1CCCCN(C(=O)[C@H](C)N)C1 ZINC000521046446 388561432 /nfs/dbraw/zinc/56/14/32/388561432.db2.gz PILJGZFOPXMJEB-WDEREUQCSA-N 0 3 228.336 0.999 20 0 BCADHN CO[C@H](CNC(=O)C[C@@H]1CNCCO1)C(C)C ZINC000362978293 388562870 /nfs/dbraw/zinc/56/28/70/388562870.db2.gz YQRDJAXNZCERJS-GHMZBOCLSA-N 0 3 244.335 0.152 20 0 BCADHN COC[C@@H]1CCCN1CCc1cn(C)nn1 ZINC000528740880 388565079 /nfs/dbraw/zinc/56/50/79/388565079.db2.gz WCDVWAVKUIZRID-NSHDSACASA-N 0 3 224.308 0.468 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528757114 388567262 /nfs/dbraw/zinc/56/72/62/388567262.db2.gz WPJLMSRLCTXGLV-WDCWCFNPSA-N 0 3 228.336 0.913 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528757112 388567570 /nfs/dbraw/zinc/56/75/70/388567570.db2.gz WPJLMSRLCTXGLV-SVDPJWKOSA-N 0 3 228.336 0.913 20 0 BCADHN CNC(=O)[C@@H](NC[C@@H](O)COC(C)C)C(C)C ZINC000183647917 388570975 /nfs/dbraw/zinc/57/09/75/388570975.db2.gz QEFCJWXSLCYOEO-MNOVXSKESA-N 0 3 246.351 0.133 20 0 BCADHN CCOC(=O)CCCN[C@H](C(=O)NC)C(C)C ZINC000183656990 388571071 /nfs/dbraw/zinc/57/10/71/388571071.db2.gz GVOJHTTVXHNYGM-NSHDSACASA-N 0 3 244.335 0.690 20 0 BCADHN CC[C@H](C)OCC(=O)NCCN(CC)CCO ZINC000183940269 388572021 /nfs/dbraw/zinc/57/20/21/388572021.db2.gz HEOAEHMLHHVPFD-NSHDSACASA-N 0 3 246.351 0.232 20 0 BCADHN CCN(CCO)CCNC(=O)C(C)(C)C ZINC000183999623 388573164 /nfs/dbraw/zinc/57/31/64/388573164.db2.gz DSFQRXQLNZJCIL-UHFFFAOYSA-N 0 3 216.325 0.463 20 0 BCADHN CCCC(=O)NCCN(CC)CCO ZINC000183984446 388573498 /nfs/dbraw/zinc/57/34/98/388573498.db2.gz ZWFYACJTZAOEHM-UHFFFAOYSA-N 0 3 202.298 0.217 20 0 BCADHN CCN(CCO)CCNC(=O)CCOC(C)C ZINC000184000447 388573853 /nfs/dbraw/zinc/57/38/53/388573853.db2.gz OBAHBTOCICZDPS-UHFFFAOYSA-N 0 3 246.351 0.232 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H](C)SC ZINC000184000679 388573871 /nfs/dbraw/zinc/57/38/71/388573871.db2.gz RVUSNLQYWVDFES-VIFPVBQESA-N 0 3 234.365 0.168 20 0 BCADHN CN(C)CCNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184122449 388574703 /nfs/dbraw/zinc/57/47/03/388574703.db2.gz NHPUJWRVNVCHKF-UHFFFAOYSA-N 0 3 249.314 0.544 20 0 BCADHN C[C@@H]1C[C@H](C)N1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000549173460 388574945 /nfs/dbraw/zinc/57/49/45/388574945.db2.gz LZLCZAAZDKZWSC-OUAUKWLOSA-N 0 3 246.376 0.751 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CCCC[C@H]1CO ZINC000252731878 388575107 /nfs/dbraw/zinc/57/51/07/388575107.db2.gz SAGDCWOUZHHCHR-VWYCJHECSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccnn1 ZINC000528821310 388577157 /nfs/dbraw/zinc/57/71/57/388577157.db2.gz ZYHLMNHTHSEXGH-SKDRFNHKSA-N 0 3 246.314 0.689 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@@H]([C@H](C)O)C1 ZINC000252780427 388577285 /nfs/dbraw/zinc/57/72/85/388577285.db2.gz QPZHNISDJOOFDA-KXUCPTDWSA-N 0 3 226.320 0.356 20 0 BCADHN CCOC[C@H](O)CN1CC[C@H](OC(F)F)C1 ZINC000549408492 388578525 /nfs/dbraw/zinc/57/85/25/388578525.db2.gz OFBPYFPREFMCPX-BDAKNGLRSA-N 0 3 239.262 0.697 20 0 BCADHN CN(c1ccc2nnnn2n1)[C@@H]1CCCN(C)C1 ZINC000301362076 388579532 /nfs/dbraw/zinc/57/95/32/388579532.db2.gz QOYKHDFBZNTMJD-SECBINFHSA-N 0 3 247.306 0.050 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1csnn1 ZINC000261542320 388581145 /nfs/dbraw/zinc/58/11/45/388581145.db2.gz GQLIKPAOBFYHEU-NKWVEPMBSA-N 0 3 226.305 0.361 20 0 BCADHN O=C(Nc1c[nH]ccc1=O)[C@H]1CCCCN1 ZINC000649301204 388583362 /nfs/dbraw/zinc/58/33/62/388583362.db2.gz LOOHYCOPIHAWNL-MRVPVSSYSA-N 0 3 221.260 0.456 20 0 BCADHN C[C@@H](C(=O)NCCN1CCC1)N1CC(C)C1 ZINC000521269115 256838041 /nfs/dbraw/zinc/83/80/41/256838041.db2.gz QRCCVFVNSJUZMP-NSHDSACASA-N 0 3 225.336 0.149 20 0 BCADHN CNS(=O)(=O)C1CCN(CC2(C)CC2)CC1 ZINC000552113769 388671028 /nfs/dbraw/zinc/67/10/28/388671028.db2.gz JDHAHCYMDDWVLZ-UHFFFAOYSA-N 0 3 246.376 0.800 20 0 BCADHN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H](C)N)C1(C)C ZINC000161553375 388671206 /nfs/dbraw/zinc/67/12/06/388671206.db2.gz SSDOATABEPDFPL-IVZWLZJFSA-N 0 3 228.336 0.996 20 0 BCADHN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H](C)N)C1(C)C ZINC000161554890 388671449 /nfs/dbraw/zinc/67/14/49/388671449.db2.gz SSDOATABEPDFPL-OPRDCNLKSA-N 0 3 228.336 0.996 20 0 BCADHN CNC(=O)CN(C(C)C)C1CCOCC1 ZINC000125505669 388671611 /nfs/dbraw/zinc/67/16/11/388671611.db2.gz AIZQOPVMECWGLJ-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN CCCNC(=O)NC(=O)CN1CC[C@@H](CC)C1 ZINC000125600209 388673702 /nfs/dbraw/zinc/67/37/02/388673702.db2.gz MULFXNGBKNHLFJ-SNVBAGLBSA-N 0 3 241.335 0.954 20 0 BCADHN CNCC(=O)Nc1ncccc1OC(F)F ZINC000521999101 388673906 /nfs/dbraw/zinc/67/39/06/388673906.db2.gz IVDXUBOMKOMXOD-UHFFFAOYSA-N 0 3 231.202 0.841 20 0 BCADHN CNC(=O)CCN(C)C[C@H]1CCCCO1 ZINC000126015712 388686352 /nfs/dbraw/zinc/68/63/52/388686352.db2.gz PZELNTCYHPMKHZ-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CN[C@@H](C)C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000522013968 388675027 /nfs/dbraw/zinc/67/50/27/388675027.db2.gz LCDGTTZITNPBKC-VIFPVBQESA-N 0 3 237.303 0.628 20 0 BCADHN CC1(C)CCCN[C@H]1C(=O)NCc1ncccn1 ZINC000522013785 388675059 /nfs/dbraw/zinc/67/50/59/388675059.db2.gz IKSJPJXZTLNMAN-NSHDSACASA-N 0 3 248.330 0.871 20 0 BCADHN CCC(CC)[C@H](O)CNC(=O)C(C)(C)N ZINC000225459578 388679449 /nfs/dbraw/zinc/67/94/49/388679449.db2.gz QHDRIDJFSGUIIN-SECBINFHSA-N 0 3 216.325 0.637 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000225548834 388680670 /nfs/dbraw/zinc/68/06/70/388680670.db2.gz GPQLFHJOQYPXGW-DJLDLDEBSA-N 0 3 214.309 0.653 20 0 BCADHN COCCCN(C)CCN1CCO[C@@H](C)C1 ZINC000192725953 388683089 /nfs/dbraw/zinc/68/30/89/388683089.db2.gz ZDISHHGEKNIBSB-LBPRGKRZSA-N 0 3 230.352 0.675 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC(CCO)C2)C1 ZINC000521641345 388621607 /nfs/dbraw/zinc/62/16/07/388621607.db2.gz JECAMTXTTSSPEJ-SNVBAGLBSA-N 0 3 226.320 0.169 20 0 BCADHN CCCn1cc(CNC[C@@H]2COCCN2)cn1 ZINC000530181824 388623166 /nfs/dbraw/zinc/62/31/66/388623166.db2.gz OFQKJAMVEPLENQ-GFCCVEGCSA-N 0 3 238.335 0.371 20 0 BCADHN Cn1cccc1CNCC(C)(C)OCCO ZINC000288438472 388626162 /nfs/dbraw/zinc/62/61/62/388626162.db2.gz LQSWVMKDVPFMAG-UHFFFAOYSA-N 0 3 226.320 0.902 20 0 BCADHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(C)(=O)=O ZINC000246275940 388627756 /nfs/dbraw/zinc/62/77/56/388627756.db2.gz JMBBMHMNLYWYSL-AXFHLTTASA-N 0 3 248.392 0.902 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1)c1cncc(F)c1 ZINC000530223169 388634667 /nfs/dbraw/zinc/63/46/67/388634667.db2.gz OZBAMSCCRTXZFL-SKDRFNHKSA-N 0 3 239.294 0.860 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NC[C@H]1COCCN1 ZINC000530226773 388635513 /nfs/dbraw/zinc/63/55/13/388635513.db2.gz YQTRRKKXHJJTRS-SCZZXKLOSA-N 0 3 224.308 0.357 20 0 BCADHN C[C@H](NC[C@H]1COCCN1)c1cn[nH]c1 ZINC000530225692 388635528 /nfs/dbraw/zinc/63/55/28/388635528.db2.gz MTSBQILNYIVVFM-WPRPVWTQSA-N 0 3 210.281 0.049 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1)c1cn[nH]c1 ZINC000530225689 388635663 /nfs/dbraw/zinc/63/56/63/388635663.db2.gz MTSBQILNYIVVFM-WCBMZHEXSA-N 0 3 210.281 0.049 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1)c1cn[nH]c1 ZINC000530225688 388635934 /nfs/dbraw/zinc/63/59/34/388635934.db2.gz MTSBQILNYIVVFM-SCZZXKLOSA-N 0 3 210.281 0.049 20 0 BCADHN Cc1nccnc1[C@@H](C)NC[C@@H]1COCCN1 ZINC000530228029 388637059 /nfs/dbraw/zinc/63/70/59/388637059.db2.gz XQEJODUPDKYUBJ-GHMZBOCLSA-N 0 3 236.319 0.424 20 0 BCADHN C[C@@H](O)CNC[C@H]1c2ccccc2C(=O)N1C ZINC000530241925 388637567 /nfs/dbraw/zinc/63/75/67/388637567.db2.gz FERRYDXWKCJNBG-SKDRFNHKSA-N 0 3 234.299 0.784 20 0 BCADHN CN1C(=O)c2ccccc2[C@@H]1CNCCC(N)=O ZINC000530241419 388637658 /nfs/dbraw/zinc/63/76/58/388637658.db2.gz DTRZZRDDVGNNLS-NSHDSACASA-N 0 3 247.298 0.278 20 0 BCADHN CN(CCOCC(F)F)CC(C)(CO)CO ZINC000189579807 388638594 /nfs/dbraw/zinc/63/85/94/388638594.db2.gz DBKAPISIUNRWEO-UHFFFAOYSA-N 0 3 241.278 0.191 20 0 BCADHN COC[C@@H](N[C@H]1CCN(C)C1=O)C(C)C ZINC000083399094 388638860 /nfs/dbraw/zinc/63/88/60/388638860.db2.gz LDHIKMCYNGEOKN-VHSXEESVSA-N 0 3 214.309 0.478 20 0 BCADHN CCc1cc(C(=O)NCCN2CCCC2)[nH]n1 ZINC000192763294 388684788 /nfs/dbraw/zinc/68/47/88/388684788.db2.gz QBGYJNFUHGDLGP-UHFFFAOYSA-N 0 3 236.319 0.798 20 0 BCADHN COC[C@H](NCC(=O)NC(C)C)C(C)C ZINC000083400093 388639058 /nfs/dbraw/zinc/63/90/58/388639058.db2.gz CFDWPAVCKYKQPW-JTQLQIEISA-N 0 3 216.325 0.772 20 0 BCADHN COC[C@H](NCC(=O)NC1CC1)C(C)C ZINC000083400166 388640645 /nfs/dbraw/zinc/64/06/45/388640645.db2.gz BGSKLTVPRQDOIU-JTQLQIEISA-N 0 3 214.309 0.526 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@H]1CCOC1(C)C ZINC000328418741 388642514 /nfs/dbraw/zinc/64/25/14/388642514.db2.gz JDQWXLPQJFVZFC-IUCAKERBSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H]1CCOC1(C)C ZINC000328418739 388642716 /nfs/dbraw/zinc/64/27/16/388642716.db2.gz JDQWXLPQJFVZFC-DTWKUNHWSA-N 0 3 235.349 0.577 20 0 BCADHN Cc1ccc([O-])c(NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000551894883 388643795 /nfs/dbraw/zinc/64/37/95/388643795.db2.gz PEENFIIFNAFGTA-VIFPVBQESA-N 0 3 235.287 0.986 20 0 BCADHN Cc1ccc([O-])c(NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC000551894883 388643798 /nfs/dbraw/zinc/64/37/98/388643798.db2.gz PEENFIIFNAFGTA-VIFPVBQESA-N 0 3 235.287 0.986 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2ccc[nH]2)[C@H]1C ZINC000261552647 388644020 /nfs/dbraw/zinc/64/40/20/388644020.db2.gz RQFAWICEMQPYSB-IUCAKERBSA-N 0 3 207.277 0.837 20 0 BCADHN CS[C@@H]1CN(c2cccnn2)C[C@@H]1N(C)C ZINC000551891313 388644911 /nfs/dbraw/zinc/64/49/11/388644911.db2.gz DSJKWNMEERTDRO-VHSXEESVSA-N 0 3 238.360 0.958 20 0 BCADHN Cn1nncc1CNC[C@]1(C)CCOC1 ZINC000328641242 388646371 /nfs/dbraw/zinc/64/63/71/388646371.db2.gz FLKBALGSEMOYPP-JTQLQIEISA-N 0 3 210.281 0.331 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)N[C@H]1CCOC1 ZINC000246638760 388647748 /nfs/dbraw/zinc/64/77/48/388647748.db2.gz JLWNNFHXGNOQHQ-VHSXEESVSA-N 0 3 227.308 0.169 20 0 BCADHN C[C@H](CC(N)=O)NCc1ccc2[nH]cnc2c1 ZINC000551939735 388648210 /nfs/dbraw/zinc/64/82/10/388648210.db2.gz HHYQLWWLPKUXBV-MRVPVSSYSA-N 0 3 232.287 0.916 20 0 BCADHN COCCO[C@H]1CCN(C[C@@H](C)O)C1 ZINC000192813863 388685289 /nfs/dbraw/zinc/68/52/89/388685289.db2.gz JHEMBNPUYKOOCU-ZJUUUORDSA-N 0 3 203.282 0.105 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@H](C)N1 ZINC000620898324 388652470 /nfs/dbraw/zinc/65/24/70/388652470.db2.gz WYZMUVRDHXMLHT-LPEHRKFASA-N 0 3 241.335 0.097 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@H]1CCCCN1 ZINC000223722156 388656966 /nfs/dbraw/zinc/65/69/66/388656966.db2.gz RINNWUUPHXYLAC-DTWKUNHWSA-N 0 3 200.282 0.280 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC000247107714 388659011 /nfs/dbraw/zinc/65/90/11/388659011.db2.gz KKIMUXPLYSSQPC-RYUDHWBXSA-N 0 3 240.347 0.871 20 0 BCADHN CO[C@H](C)CN(C)[C@@H](C)C[S@@](C)=O ZINC000248604101 388685816 /nfs/dbraw/zinc/68/58/16/388685816.db2.gz DYQKQIZQQZLWIV-IGJMFERPSA-N 0 3 207.339 0.720 20 0 BCADHN CN(C(=O)[C@H]1CCOC1)[C@@H]1CCCN(C)C1 ZINC000247376593 388662794 /nfs/dbraw/zinc/66/27/94/388662794.db2.gz LEDHBHQPQZEBOI-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN CN(C(=O)[C@H]1CCOC1)[C@H]1CCCN(C)C1 ZINC000247376587 388663159 /nfs/dbraw/zinc/66/31/59/388663159.db2.gz LEDHBHQPQZEBOI-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN CC(C)(C)NC(=O)CNCC1=CCCOC1 ZINC000124641872 388664280 /nfs/dbraw/zinc/66/42/80/388664280.db2.gz VOVMYZKRVAZRAO-UHFFFAOYSA-N 0 3 226.320 0.837 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1cc(C)ncn1 ZINC000124644153 388664512 /nfs/dbraw/zinc/66/45/12/388664512.db2.gz RSLMPNTWVBFVJW-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN CCCCO[C@@H](C)C(=O)NCCN(C)C ZINC000194544112 388734509 /nfs/dbraw/zinc/73/45/09/388734509.db2.gz OILJBOFYIARWAE-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000194664764 388738457 /nfs/dbraw/zinc/73/84/57/388738457.db2.gz JLGAKTHVVUBHPG-SNVBAGLBSA-N 0 3 236.319 0.932 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)COCC1CC1 ZINC000194699191 388739580 /nfs/dbraw/zinc/73/95/80/388739580.db2.gz BHZGQNKDZZXUPS-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN COCCN(CCN(C)C)C(=O)C(C)(C)OC ZINC000552898484 388740459 /nfs/dbraw/zinc/74/04/59/388740459.db2.gz SJGPKLKCSVKHSJ-UHFFFAOYSA-N 0 3 246.351 0.448 20 0 BCADHN CC(C)CNC(=O)CN(C)CCN1CCCC1 ZINC000089899993 388741977 /nfs/dbraw/zinc/74/19/77/388741977.db2.gz BABSFTMVMLEENR-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN CCC[C@](C)(N)C(=O)Nc1ncnn1C ZINC000261527252 388743442 /nfs/dbraw/zinc/74/34/42/388743442.db2.gz FEXMJFVQSKMDTR-VIFPVBQESA-N 0 3 211.269 0.271 20 0 BCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CO)C1 ZINC000649042378 388747634 /nfs/dbraw/zinc/74/76/34/388747634.db2.gz JVKDCDLQNUQVLF-CYBMUJFWSA-N 0 3 248.326 0.712 20 0 BCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)CO)C1 ZINC000649042379 388747794 /nfs/dbraw/zinc/74/77/94/388747794.db2.gz JVKDCDLQNUQVLF-ZDUSSCGKSA-N 0 3 248.326 0.712 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000227328157 388748167 /nfs/dbraw/zinc/74/81/67/388748167.db2.gz MDVHGTSSERRUHG-GWOFURMSSA-N 0 3 228.336 0.780 20 0 BCADHN CO[C@@H](CN)C(=O)NCC1CCCCC1 ZINC000227348355 388748593 /nfs/dbraw/zinc/74/85/93/388748593.db2.gz XBRXCPQYLUFALZ-JTQLQIEISA-N 0 3 214.309 0.657 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H](C)c1cccs1 ZINC000227349623 388748865 /nfs/dbraw/zinc/74/88/65/388748865.db2.gz QJONVRZWERODRT-YUMQZZPRSA-N 0 3 228.317 0.899 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000251588669 388749053 /nfs/dbraw/zinc/74/90/53/388749053.db2.gz FJYAMRHEDUEXFV-AEJSXWLSSA-N 0 3 214.309 0.607 20 0 BCADHN CO[C@@H](CN)C(=O)NCC1CCCC1 ZINC000227348331 388749093 /nfs/dbraw/zinc/74/90/93/388749093.db2.gz RZPDFYWOZDPDPB-VIFPVBQESA-N 0 3 200.282 0.267 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1cnc(C)s1 ZINC000227377097 388750122 /nfs/dbraw/zinc/75/01/22/388750122.db2.gz ZPVGFBTYNLSSGF-QMMMGPOBSA-N 0 3 229.305 0.041 20 0 BCADHN CO[C@H](CN)C(=O)NCc1cnc(C)s1 ZINC000227377103 388750128 /nfs/dbraw/zinc/75/01/28/388750128.db2.gz ZPVGFBTYNLSSGF-MRVPVSSYSA-N 0 3 229.305 0.041 20 0 BCADHN CO[C@H](CN)C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000227380348 388750201 /nfs/dbraw/zinc/75/02/01/388750201.db2.gz CIVDGHKBAQJKBO-LPEHRKFASA-N 0 3 214.309 0.607 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCCC1(C)C ZINC000227383226 388750216 /nfs/dbraw/zinc/75/02/16/388750216.db2.gz GFGKMJBOCCRALC-QMMMGPOBSA-N 0 3 200.282 0.361 20 0 BCADHN CCN(CC1CC1)C(=O)[C@H](CN)OC ZINC000227384834 388750243 /nfs/dbraw/zinc/75/02/43/388750243.db2.gz UIYBJCSHAZPGBM-VIFPVBQESA-N 0 3 200.282 0.219 20 0 BCADHN CO[C@H](CN)C(=O)NCc1ccc(C)s1 ZINC000227380121 388750268 /nfs/dbraw/zinc/75/02/68/388750268.db2.gz YRTWCHKRWARUAI-SECBINFHSA-N 0 3 228.317 0.646 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)c1cccnc1 ZINC000227385115 388750397 /nfs/dbraw/zinc/75/03/97/388750397.db2.gz DFBITGDEEWUHOR-VIFPVBQESA-N 0 3 209.249 0.018 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccnc(C)c1 ZINC000227390428 388750556 /nfs/dbraw/zinc/75/05/56/388750556.db2.gz MNHSLBMSCAJJSZ-VIFPVBQESA-N 0 3 209.249 0.302 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000227389870 388750639 /nfs/dbraw/zinc/75/06/39/388750639.db2.gz OZUWXTLIGSAKAG-XHNCKOQMSA-N 0 3 200.282 0.075 20 0 BCADHN COCCN(C)CCCNC(=O)C1(OC)CC1 ZINC000648733212 388753238 /nfs/dbraw/zinc/75/32/38/388753238.db2.gz HLMDUSLCFIMELJ-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN C[C@H](O)CN1CCN(CCCF)[C@@H](C)C1 ZINC000248644358 388687783 /nfs/dbraw/zinc/68/77/83/388687783.db2.gz FGENRFCXKWLZHA-QWRGUYRKSA-N 0 3 218.316 0.733 20 0 BCADHN COC(=O)C[C@@H]1CSCCN1C[C@H](C)O ZINC000248651313 388687907 /nfs/dbraw/zinc/68/79/07/388687907.db2.gz MSGINHRWEBYLJJ-DTWKUNHWSA-N 0 3 233.333 0.348 20 0 BCADHN COC[C@@H](C)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000552312994 388691955 /nfs/dbraw/zinc/69/19/55/388691955.db2.gz GTMHFYDECPTHJG-VGMNWLOBSA-N 0 3 221.322 0.187 20 0 BCADHN Cn1cccc1C(=O)NC[C@H]1CCCN1C ZINC000126401475 388694930 /nfs/dbraw/zinc/69/49/30/388694930.db2.gz RFYUDVUXFBJGPJ-SNVBAGLBSA-N 0 3 221.304 0.849 20 0 BCADHN CCCOCC(=O)N(C)C1CCN(C)CC1 ZINC000065578533 388695922 /nfs/dbraw/zinc/69/59/22/388695922.db2.gz HOFUAAMXEVFTNE-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CCCN(C(=O)COC)[C@H]1CCN(C)C1 ZINC000649005148 388699051 /nfs/dbraw/zinc/69/90/51/388699051.db2.gz QKTSIFKXPLNSTI-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN C[C@H](CO)N(Cc1ccccn1)C[C@H](C)O ZINC000248982556 388701812 /nfs/dbraw/zinc/70/18/12/388701812.db2.gz VRMGTMYYYUMRIG-MNOVXSKESA-N 0 3 224.304 0.645 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@H]1CCO[C@H]1C ZINC000248976303 388702499 /nfs/dbraw/zinc/70/24/99/388702499.db2.gz UGFSMYWPGOYPHE-GUBZILKMSA-N 0 3 214.309 0.620 20 0 BCADHN COC(=O)[C@@H](C)CN(C)[C@H]1CCCN(C)C1=O ZINC000538703559 388707243 /nfs/dbraw/zinc/70/72/43/388707243.db2.gz OTMHAPZUZYNMMS-UWVGGRQHSA-N 0 3 242.319 0.348 20 0 BCADHN CCOC[C@@H]1CCN([C@@H]2CCCN(C)C2=O)C1 ZINC000538709373 388708046 /nfs/dbraw/zinc/70/80/46/388708046.db2.gz XBONOPSNKQTIIW-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN COC(=O)[C@H]1CCN([C@@H]2CCCN(C)C2=O)C1 ZINC000538712043 388708601 /nfs/dbraw/zinc/70/86/01/388708601.db2.gz YZDNIOXZISSWNT-VHSXEESVSA-N 0 3 240.303 0.102 20 0 BCADHN Cn1cc(CCN2CC[C@@](C)(O)C2)cn1 ZINC000226210152 388710785 /nfs/dbraw/zinc/71/07/85/388710785.db2.gz BPTSZVSEQUNVLR-LLVKDONJSA-N 0 3 209.293 0.419 20 0 BCADHN CC(C)NCC(=O)NC[C@H]1CCCS1 ZINC000087668443 388710913 /nfs/dbraw/zinc/71/09/13/388710913.db2.gz QUILQFVVVGTHQX-SECBINFHSA-N 0 3 216.350 0.996 20 0 BCADHN COC[C@H](C)CN1CCCC[C@H]1C(N)=O ZINC000249187213 388711614 /nfs/dbraw/zinc/71/16/14/388711614.db2.gz LJLNSDYZXAOJID-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN COC[C@@H](O)CN1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000249160246 388711731 /nfs/dbraw/zinc/71/17/31/388711731.db2.gz ZQDLLNHGRPPQPT-GARJFASQSA-N 0 3 245.319 0.125 20 0 BCADHN CSC[C@H](O)CN(C)CC[C@@H](C)O ZINC000249291115 388715431 /nfs/dbraw/zinc/71/54/31/388715431.db2.gz VSTFIXLMEGPAIM-RKDXNWHRSA-N 0 3 207.339 0.413 20 0 BCADHN C[C@@H]1CN(CCN2CCOC[C@H]2C)CC[C@H]1O ZINC000249362302 388717556 /nfs/dbraw/zinc/71/75/56/388717556.db2.gz AHTHTTVYYMZCJI-JHJVBQTASA-N 0 3 242.363 0.410 20 0 BCADHN COCCCN(C)CCN1C(=O)CCC1=O ZINC000127284812 388720472 /nfs/dbraw/zinc/72/04/72/388720472.db2.gz YHRMYFWREXHRHH-UHFFFAOYSA-N 0 3 228.292 0.104 20 0 BCADHN CSCCNCc1cnc(N(C)C)n1C ZINC000069718062 388725902 /nfs/dbraw/zinc/72/59/02/388725902.db2.gz FKZHQKQFQGYTPE-UHFFFAOYSA-N 0 3 228.365 0.939 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCn1cccc1 ZINC000226679895 388726468 /nfs/dbraw/zinc/72/64/68/388726468.db2.gz SPKJABWPNACCAE-JTQLQIEISA-N 0 3 209.293 0.588 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000226697103 388726485 /nfs/dbraw/zinc/72/64/85/388726485.db2.gz IGICPJOORVTMSD-WEDXCCLWSA-N 0 3 224.308 0.960 20 0 BCADHN CC[C@@H]1CCCN([C@H]2CC(=O)N(C)C2=O)C1 ZINC000249711047 388732020 /nfs/dbraw/zinc/73/20/20/388732020.db2.gz VUVKENUPKNLNNQ-ZJUUUORDSA-N 0 3 224.304 0.866 20 0 BCADHN CC(C)C[C@@H](C)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000552625310 388732432 /nfs/dbraw/zinc/73/24/32/388732432.db2.gz HFHIZVXLMPREAL-MXWKQRLJSA-N 0 3 228.336 0.996 20 0 BCADHN CCN(CC)CC(=O)NC(=O)N[C@@H](C)COC ZINC000127908198 388732717 /nfs/dbraw/zinc/73/27/17/388732717.db2.gz NHUSICHBQGAOHJ-VIFPVBQESA-N 0 3 245.323 0.189 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@H](O)C2CCC2)C1 ZINC000649084335 388792748 /nfs/dbraw/zinc/79/27/48/388792748.db2.gz JBRNWONLLNPYLN-ZYHUDNBSSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@@H](O)C2CCC2)C1 ZINC000649084333 388793587 /nfs/dbraw/zinc/79/35/87/388793587.db2.gz JBRNWONLLNPYLN-JQWIXIFHSA-N 0 3 240.347 0.605 20 0 BCADHN CO[C@@H]1C[C@H](N[C@@H](C)C(N)=O)C1(C)C ZINC000230059132 388811528 /nfs/dbraw/zinc/81/15/28/388811528.db2.gz IPQJKWUCKHCBNW-BIIVOSGPSA-N 0 3 200.282 0.263 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCCC[C@@H]2O)C[C@@H](CO)O1 ZINC000230024066 388811593 /nfs/dbraw/zinc/81/15/93/388811593.db2.gz MJDJLEFOFDYBAQ-VOAKCMCISA-N 0 3 243.347 0.619 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@@H](C)C(N)=O)C1(C)C ZINC000230059121 388811684 /nfs/dbraw/zinc/81/16/84/388811684.db2.gz IPQJKWUCKHCBNW-XLPZGREQSA-N 0 3 200.282 0.263 20 0 BCADHN C[C@@H]1OCC[C@@]1(O)CNCc1cncs1 ZINC000227980342 388764741 /nfs/dbraw/zinc/76/47/41/388764741.db2.gz FRTYDJYVKYPADW-WCBMZHEXSA-N 0 3 228.317 0.773 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCCC[C@@H](C)O ZINC000228035513 388766130 /nfs/dbraw/zinc/76/61/30/388766130.db2.gz BRSLJDOGJPNWQJ-VHSXEESVSA-N 0 3 237.365 0.560 20 0 BCADHN CSC1(CN[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000228090236 388768816 /nfs/dbraw/zinc/76/88/16/388768816.db2.gz GKLMJMQXJYSTDA-MRVPVSSYSA-N 0 3 235.374 0.659 20 0 BCADHN COC[C@H](C)N(C)C(=O)NC1CCN(C)CC1 ZINC000193138027 388770411 /nfs/dbraw/zinc/77/04/11/388770411.db2.gz HDFCMPKCIHHFPK-JTQLQIEISA-N 0 3 243.351 0.757 20 0 BCADHN Cn1cc(CN[C@H]2CC[C@H](O)CC2)cn1 ZINC000252704411 388772334 /nfs/dbraw/zinc/77/23/34/388772334.db2.gz NADXSMCWNOBUJD-XYPYZODXSA-N 0 3 209.293 0.813 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@H](C)[C@@H](C)CO ZINC000228724910 388773417 /nfs/dbraw/zinc/77/34/17/388773417.db2.gz KJPLQTTUJDZNDT-LPEHRKFASA-N 0 3 216.325 0.508 20 0 BCADHN COCC1(C(=O)NC[C@H]2CCCN(C)C2)CC1 ZINC000539808026 388776849 /nfs/dbraw/zinc/77/68/49/388776849.db2.gz PKSKDBRWNLCIOQ-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NCc1cc[nH]n1 ZINC000522893156 388777902 /nfs/dbraw/zinc/77/79/02/388777902.db2.gz RTXVXZRWLGRPSX-LLVKDONJSA-N 0 3 236.319 0.900 20 0 BCADHN CC(C)NS(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000539803390 388777996 /nfs/dbraw/zinc/77/79/96/388777996.db2.gz WSXKMXWYLWOJJQ-JTQLQIEISA-N 0 3 249.380 0.161 20 0 BCADHN CC1(C)C[C@H](N[C@@H]2COC[C@H]2O)C(C)(C)O1 ZINC000252736851 388778792 /nfs/dbraw/zinc/77/87/92/388778792.db2.gz AIDQUDQHPAEZSY-BBBLOLIVSA-N 0 3 229.320 0.682 20 0 BCADHN CN(C[C@@H]1CCCOC1)[C@@H]1CCCN(C)C1=O ZINC000539811804 388779368 /nfs/dbraw/zinc/77/93/68/388779368.db2.gz OOWHFKVSRCCORB-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN COC[C@@H]1CCCN([C@H]2CCCN(C)C2=O)C1 ZINC000539811901 388780418 /nfs/dbraw/zinc/78/04/18/388780418.db2.gz YELZWIUVNZDBKY-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(CCCO)[C@@H]1CCCN(C)C1=O ZINC000554433935 388814836 /nfs/dbraw/zinc/81/48/36/388814836.db2.gz UCRIDIPFQSRIMX-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)C(=O)N(C)CC ZINC000231854252 388844025 /nfs/dbraw/zinc/84/40/25/388844025.db2.gz JMHQFTXAKBVXSW-BBBLOLIVSA-N 0 3 243.351 0.343 20 0 BCADHN Cn1ccnc1CNCC[C@H]1CCOC1 ZINC000230164515 388818200 /nfs/dbraw/zinc/81/82/00/388818200.db2.gz WYPVKULEBGWOGO-JTQLQIEISA-N 0 3 209.293 0.936 20 0 BCADHN Cc1cc(C(=O)NCCOCCN(C)C)[nH]n1 ZINC000540848751 388820533 /nfs/dbraw/zinc/82/05/33/388820533.db2.gz BGKZOBIBZNTXAX-UHFFFAOYSA-N 0 3 240.307 0.026 20 0 BCADHN CC[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC000554545984 388821257 /nfs/dbraw/zinc/82/12/57/388821257.db2.gz GYBCKVVGUBIJAN-VWYCJHECSA-N 0 3 226.320 0.310 20 0 BCADHN CNCC(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000230243527 388822382 /nfs/dbraw/zinc/82/23/82/388822382.db2.gz SEQQIXQCLTWAJY-BDAKNGLRSA-N 0 3 200.282 0.089 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000230244166 388822761 /nfs/dbraw/zinc/82/27/61/388822761.db2.gz ZIAJZNGBOFSPMB-KXUCPTDWSA-N 0 3 214.309 0.607 20 0 BCADHN COCCNC(=O)CN1CC[C@@H](C)C1 ZINC000554597374 388823984 /nfs/dbraw/zinc/82/39/84/388823984.db2.gz FFEWDGUDRJQPRI-SECBINFHSA-N 0 3 200.282 0.091 20 0 BCADHN Cc1ccccc1CNCCC(=O)NC(N)=O ZINC000554603914 388824787 /nfs/dbraw/zinc/82/47/87/388824787.db2.gz VHNSUKDIDUTGOC-UHFFFAOYSA-N 0 3 235.287 0.670 20 0 BCADHN CN(CCO)C(=O)CCN(C)c1ccncc1 ZINC000540923405 388828439 /nfs/dbraw/zinc/82/84/39/388828439.db2.gz RUPMVQHYFLLSML-UHFFFAOYSA-N 0 3 237.303 0.359 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H]([C@@H](C)O)C1)N(C)C ZINC000129309419 388831783 /nfs/dbraw/zinc/83/17/83/388831783.db2.gz XYGLHSPGJBQFLN-IJLUTSLNSA-N 0 3 242.363 0.946 20 0 BCADHN Cn1nnnc1N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000564239618 388832437 /nfs/dbraw/zinc/83/24/37/388832437.db2.gz DIRJGRLFJZQQQV-ZJUUUORDSA-N 0 3 236.323 0.131 20 0 BCADHN O=C(NCCN1CCCC1)C1CCOCC1 ZINC000069639998 388854499 /nfs/dbraw/zinc/85/44/99/388854499.db2.gz QQKNSZINJBNYTQ-UHFFFAOYSA-N 0 3 226.320 0.625 20 0 BCADHN CC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000649136498 388861389 /nfs/dbraw/zinc/86/13/89/388861389.db2.gz MZHASHYKSVGAKV-UHFFFAOYSA-N 0 3 212.293 0.330 20 0 BCADHN CCN(CCO)CCNC(=O)OC(C)(C)C ZINC000148033689 388864762 /nfs/dbraw/zinc/86/47/62/388864762.db2.gz GCQKJUWZBHJBCI-UHFFFAOYSA-N 0 3 232.324 0.825 20 0 BCADHN CSC[C@@H](O)CN1CCN(C)C(C)(C)C1 ZINC000556083577 388866604 /nfs/dbraw/zinc/86/66/04/388866604.db2.gz NXUKDSPKWALILI-JTQLQIEISA-N 0 3 232.393 0.736 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCN(C)C(C)(C)C1 ZINC000556083603 388866682 /nfs/dbraw/zinc/86/66/82/388866682.db2.gz ODONYFFRJPVNSK-SNVBAGLBSA-N 0 3 227.352 0.489 20 0 BCADHN C[C@@H]1CN(CCOCCO)C[C@H](C)S1 ZINC000069908973 388870299 /nfs/dbraw/zinc/87/02/99/388870299.db2.gz RQUGFLIODQKWDU-AOOOYVTPSA-N 0 3 219.350 0.821 20 0 BCADHN CCN(CC)C(=O)N(C)CCN(C)C ZINC000129797474 388870337 /nfs/dbraw/zinc/87/03/37/388870337.db2.gz MGBXMMJISNSIAV-UHFFFAOYSA-N 0 3 201.314 0.942 20 0 BCADHN COC[C@@H](O)CN1C[C@H](C)S[C@@H](C)C1 ZINC000069908992 388870600 /nfs/dbraw/zinc/87/06/00/388870600.db2.gz LXJONJUVIRGRRW-GUBZILKMSA-N 0 3 219.350 0.820 20 0 BCADHN N[C@@H]1C[C@@H]2CN(CCCCCF)CCN2C1=O ZINC000564668460 388882969 /nfs/dbraw/zinc/88/29/69/388882969.db2.gz SZEVIXFVYSGFTO-GHMZBOCLSA-N 0 3 243.326 0.370 20 0 BCADHN CC[C@@H](OC)C(=O)NCCN1CC[C@H](C)C1 ZINC000564699800 388885106 /nfs/dbraw/zinc/88/51/06/388885106.db2.gz HWPQFSXHVVMNHT-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN N[C@H](CC(F)F)C(=O)N1CCOC[C@H]1C1CC1 ZINC000564803897 388889996 /nfs/dbraw/zinc/88/99/96/388889996.db2.gz NCKHRMBDYMXGNI-BDAKNGLRSA-N 0 3 248.273 0.606 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@@H](O)C(F)(F)F ZINC000564880882 388896465 /nfs/dbraw/zinc/89/64/65/388896465.db2.gz GWOWXLNSNCOAKK-DTWKUNHWSA-N 0 3 240.269 0.936 20 0 BCADHN CCCN[C@H](C)C(=O)Nc1ccc(=O)n(C)c1 ZINC000564914833 388897699 /nfs/dbraw/zinc/89/76/99/388897699.db2.gz RQLNGIABIMVFIG-SECBINFHSA-N 0 3 237.303 0.712 20 0 BCADHN CN(Cc1cnccn1)C(=O)[C@@H](N)C1CCC1 ZINC000564929832 388899262 /nfs/dbraw/zinc/89/92/62/388899262.db2.gz YQROJKQSKJYMQM-NSHDSACASA-N 0 3 234.303 0.562 20 0 BCADHN CCn1nccc1CN1CCNC[C@@H]1C(F)F ZINC000564973855 388903718 /nfs/dbraw/zinc/90/37/18/388903718.db2.gz YQPPAVOMQBXQKB-SNVBAGLBSA-N 0 3 244.289 0.942 20 0 BCADHN Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1CCCN1C ZINC000129883962 388875131 /nfs/dbraw/zinc/87/51/31/388875131.db2.gz DDTGBSIDGMAYMI-JTQLQIEISA-N 0 3 249.314 0.507 20 0 BCADHN CCN(C)CCNC(=O)c1c[nH]c(=O)cc1C ZINC000129892076 388875209 /nfs/dbraw/zinc/87/52/09/388875209.db2.gz RXCZNGBWABSYDD-UHFFFAOYSA-N 0 3 237.303 0.365 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@H](C)NC2CC2)n1 ZINC000564564053 388878315 /nfs/dbraw/zinc/87/83/15/388878315.db2.gz JVKBEEAQURGSKW-NKWVEPMBSA-N 0 3 238.291 0.696 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@@H](C)NC2CC2)n1 ZINC000564564054 388878459 /nfs/dbraw/zinc/87/84/59/388878459.db2.gz JVKBEEAQURGSKW-RNFRBKRXSA-N 0 3 238.291 0.696 20 0 BCADHN CCCCNC(=O)CN1CCNC[C@@H]1C(F)F ZINC000564987169 388905564 /nfs/dbraw/zinc/90/55/64/388905564.db2.gz QXVBBRUBJSUIMZ-SECBINFHSA-N 0 3 249.305 0.442 20 0 BCADHN CN(C(=O)C1(N)CCC1)c1nccs1 ZINC000564988905 388905768 /nfs/dbraw/zinc/90/57/68/388905768.db2.gz PKHXPUILSVJJLA-UHFFFAOYSA-N 0 3 211.290 0.987 20 0 BCADHN NC1(C(=O)Nc2ccc3nncn3c2)CCC1 ZINC000564993557 388906285 /nfs/dbraw/zinc/90/62/85/388906285.db2.gz DGYGZLLHLFPIFG-UHFFFAOYSA-N 0 3 231.259 0.549 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@H](N)CC ZINC000564993706 388906986 /nfs/dbraw/zinc/90/69/86/388906986.db2.gz OMPKWIBFHYIMOF-HRDYMLBCSA-N 0 3 230.308 0.428 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000565138863 388916803 /nfs/dbraw/zinc/91/68/03/388916803.db2.gz MPYMIDYNXWQNEM-UKKRHICBSA-N 0 3 228.336 0.866 20 0 BCADHN C[C@H](CC(N)=O)NC(=O)CN1CCC(C)(C)C1 ZINC000565190908 388922533 /nfs/dbraw/zinc/92/25/33/388922533.db2.gz YHJQULQYGIYWOF-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN CC(C)CCCN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565234692 388929924 /nfs/dbraw/zinc/92/99/24/388929924.db2.gz XEWDKORZHBFPGX-VXGBXAGGSA-N 0 3 239.363 0.666 20 0 BCADHN CC[C@H](NCc1cnc(C)n1C)[C@@H](C)O ZINC000565314862 388936874 /nfs/dbraw/zinc/93/68/74/388936874.db2.gz NMRYRBCEHXIWMY-KCJUWKMLSA-N 0 3 211.309 0.978 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000565248611 388932003 /nfs/dbraw/zinc/93/20/03/388932003.db2.gz APXORJYAWVXFLK-AXFHLTTASA-N 0 3 226.320 0.668 20 0 BCADHN CCCN(CCC)CC(=O)N1CCN(C)CC1 ZINC000153042960 388933175 /nfs/dbraw/zinc/93/31/75/388933175.db2.gz SLJDWUKLHHKUII-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN Cc1c[nH]cc1C(=O)N1CCN(C)C[C@H]1CN ZINC000565363494 388938832 /nfs/dbraw/zinc/93/88/32/388938832.db2.gz YDRZCJJAMDFNNL-SNVBAGLBSA-N 0 3 236.319 0.038 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H]1CO ZINC000565457467 388946002 /nfs/dbraw/zinc/94/60/02/388946002.db2.gz BWLWOMAYDOORFM-OUAUKWLOSA-N 0 3 226.320 0.167 20 0 BCADHN CO[C@@]1(CNCc2cnc(C)n2C)CCOC1 ZINC000565547596 388952712 /nfs/dbraw/zinc/95/27/12/388952712.db2.gz BYRZTBQRSDLVIO-GFCCVEGCSA-N 0 3 239.319 0.624 20 0 BCADHN Cc1cc(=O)[nH]cc1NC(=O)CNC1CC1 ZINC000565596225 388956590 /nfs/dbraw/zinc/95/65/90/388956590.db2.gz JLOGHGHKBLWOOA-UHFFFAOYSA-N 0 3 221.260 0.786 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H]1CC[C@H]1SC ZINC000565833914 388972689 /nfs/dbraw/zinc/97/26/89/388972689.db2.gz MQYKGAIJUMWNHC-SGIHWFKDSA-N 0 3 217.334 0.884 20 0 BCADHN C[C@@H]1CCN([C@@H]2CC(=O)NC2=O)C[C@@H]1C ZINC000565899854 388977974 /nfs/dbraw/zinc/97/79/74/388977974.db2.gz FIMAYEQUXMOIQQ-HRDYMLBCSA-N 0 3 210.277 0.379 20 0 BCADHN CSC[C@@H](O)CN1CCC[C@@]12CCNC2=O ZINC000566017913 388982121 /nfs/dbraw/zinc/98/21/21/388982121.db2.gz ONXGSXDJCOYTHN-ONGXEEELSA-N 0 3 244.360 0.065 20 0 BCADHN Cc1cc(C)n(CCN2CC[C@H](CO)C2)n1 ZINC000265775184 388993297 /nfs/dbraw/zinc/99/32/97/388993297.db2.gz DFVFQEQJBCRFFM-LBPRGKRZSA-N 0 3 223.320 0.814 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@](C)(O)c1cccs1 ZINC000267248331 388999117 /nfs/dbraw/zinc/99/91/17/388999117.db2.gz NRGOZSCPCRTQGV-KWQFWETISA-N 0 3 242.344 0.809 20 0 BCADHN C[C@H](CC(N)=O)NCc1cccc(CO)c1 ZINC000267190003 388999620 /nfs/dbraw/zinc/99/96/20/388999620.db2.gz DDFVUQXUYOJWCG-SECBINFHSA-N 0 3 222.288 0.532 20 0 BCADHN Cn1nncc1CNC[C@](C)(O)c1ccccc1 ZINC000267546697 389000609 /nfs/dbraw/zinc/00/06/09/389000609.db2.gz ZUSDOLPDZCSMBT-ZDUSSCGKSA-N 0 3 246.314 0.812 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2NCCn1cncn1 ZINC000268874671 389006274 /nfs/dbraw/zinc/00/62/74/389006274.db2.gz YRYBMWHDXDOEDI-NSHDSACASA-N 0 3 246.318 0.679 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@@H](N)C(C)(C)C ZINC000269265424 389008071 /nfs/dbraw/zinc/00/80/71/389008071.db2.gz OSJFSCHJAPCVNL-SECBINFHSA-N 0 3 224.308 0.708 20 0 BCADHN COCc1nsc(NCCN(C)C)n1 ZINC000271352255 389018781 /nfs/dbraw/zinc/01/87/81/389018781.db2.gz GOXVGJZTIPVOCB-UHFFFAOYSA-N 0 3 216.310 0.658 20 0 BCADHN CSCCN[C@H](CO)c1cnn(C)c1 ZINC000275250590 389054899 /nfs/dbraw/zinc/05/48/99/389054899.db2.gz YOOOMQCUMVBJLQ-SECBINFHSA-N 0 3 215.322 0.406 20 0 BCADHN COc1cc(CNC[C@H](O)CO)ccc1C ZINC000273314480 389038526 /nfs/dbraw/zinc/03/85/26/389038526.db2.gz CYJJOGRCEVHZHZ-NSHDSACASA-N 0 3 225.288 0.446 20 0 BCADHN CC[C@H]1CN(CCC(=O)NC)C[C@@H](C)O1 ZINC000348210093 136044533 /nfs/dbraw/zinc/04/45/33/136044533.db2.gz BRAQRKRWASCTFI-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CCN(C)C(=O)CN[C@H](C)COC(C)C ZINC000336764429 169675289 /nfs/dbraw/zinc/67/52/89/169675289.db2.gz PXONIYQLLQHWFN-SNVBAGLBSA-N 0 3 216.325 0.868 20 0 BCADHN C[C@@H](CC(C)(C)O)NC(=O)/C=C\CN(C)C ZINC000493237599 533470052 /nfs/dbraw/zinc/47/00/52/533470052.db2.gz VKKBKQUNLJEGCU-GFVADAIESA-N 0 3 228.336 0.770 20 0 BCADHN C[C@@H](O)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000469031309 533569906 /nfs/dbraw/zinc/56/99/06/533569906.db2.gz SVGWHYXZUIYVOD-MXWKQRLJSA-N 0 3 226.320 0.310 20 0 BCADHN CC[NH2+]CC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000261553950 535476805 /nfs/dbraw/zinc/47/68/05/535476805.db2.gz SYAAOIQEQLMIOJ-UHFFFAOYSA-N 0 3 232.305 0.476 20 0 BCADHN COc1ccc(CNCCOCCO)cn1 ZINC000062070519 533664301 /nfs/dbraw/zinc/66/43/01/533664301.db2.gz FFCXIDVSFXRWKV-UHFFFAOYSA-N 0 3 226.276 0.189 20 0 BCADHN O=C(COC1CNC1)N1CCNc2ccccc21 ZINC000353403661 132269430 /nfs/dbraw/zinc/26/94/30/132269430.db2.gz SMSZTPASLHCHRN-UHFFFAOYSA-N 0 3 247.298 0.434 20 0 BCADHN CC(C)N1CCN(c2cncc3nncn32)CC1 ZINC000360149524 132278336 /nfs/dbraw/zinc/27/83/36/132278336.db2.gz QRSTYVSDZBGMBL-UHFFFAOYSA-N 0 3 246.318 0.655 20 0 BCADHN CNCC(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000019503928 132325770 /nfs/dbraw/zinc/32/57/70/132325770.db2.gz UQNOFJRNLFZLDY-UHFFFAOYSA-N 0 3 247.342 0.863 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000083909094 132426063 /nfs/dbraw/zinc/42/60/63/132426063.db2.gz VAASOSICRANEHA-QMMMGPOBSA-N 0 3 235.287 0.801 20 0 BCADHN CO[C@]1(CNCc2cncn2C)CCOC1 ZINC000156862298 133474455 /nfs/dbraw/zinc/47/44/55/133474455.db2.gz USTSECJESIQQNK-NSHDSACASA-N 0 3 225.292 0.315 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCOCC(F)(F)F ZINC000082627841 133504179 /nfs/dbraw/zinc/50/41/79/133504179.db2.gz QMDPBCORDGDPNJ-SSDOTTSWSA-N 0 3 242.241 0.665 20 0 BCADHN CSCCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000083118330 133517367 /nfs/dbraw/zinc/51/73/67/133517367.db2.gz IZKVNRSUPCBGQS-BDAKNGLRSA-N 0 3 216.350 0.948 20 0 BCADHN C[C@@H]1COC[C@H](C)N1C(=O)[C@H](N)CC(F)F ZINC000345702598 133789499 /nfs/dbraw/zinc/78/94/99/133789499.db2.gz BQNVFEXOKRYRCF-GJMOJQLCSA-N 0 3 236.262 0.605 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@H]1CC12CC2 ZINC000335277271 133822674 /nfs/dbraw/zinc/82/26/74/133822674.db2.gz LXEFXMDWEZYPHD-BDAKNGLRSA-N 0 3 210.277 0.034 20 0 BCADHN CC(C)(N)C(=O)Nc1cnn(C(F)F)c1 ZINC000335465031 133855355 /nfs/dbraw/zinc/85/53/55/133855355.db2.gz RIRBBZLWJGGSGX-UHFFFAOYSA-N 0 3 218.207 0.954 20 0 BCADHN CCOC[C@H](O)CN1C[C@H](C)N(C)C[C@@H]1C ZINC000351925299 134007231 /nfs/dbraw/zinc/00/72/31/134007231.db2.gz CAGYDOUVZIBTQZ-SDDRHHMPSA-N 0 3 230.352 0.408 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@H](CC2CC2)C1 ZINC000335930866 134010586 /nfs/dbraw/zinc/01/05/86/134010586.db2.gz IEVGMMBQFPLMRA-MNOVXSKESA-N 0 3 208.305 0.997 20 0 BCADHN NC(=O)N[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC000335936041 134012595 /nfs/dbraw/zinc/01/25/95/134012595.db2.gz AKPQNULDFFJOHD-VHSXEESVSA-N 0 3 227.308 0.298 20 0 BCADHN CC(C)NC(=O)CCN1C[C@H](C)N(C)C[C@H]1C ZINC000351933187 134014232 /nfs/dbraw/zinc/01/42/32/134014232.db2.gz ALVDRCSQBQPDDV-NWDGAFQWSA-N 0 3 241.379 0.926 20 0 BCADHN COC[C@H](O)CN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000351959598 134018376 /nfs/dbraw/zinc/01/83/76/134018376.db2.gz RHRMOEACSDOLKU-IJLUTSLNSA-N 0 3 243.347 0.883 20 0 BCADHN CC(=O)N(C)CC(=O)N1CCN(C)CC[C@H]1C ZINC000335969392 134029138 /nfs/dbraw/zinc/02/91/38/134029138.db2.gz UVICYLOFXIIACX-SNVBAGLBSA-N 0 3 241.335 0.017 20 0 BCADHN NCC(=O)NCc1cccc2c1CCCN2 ZINC000335990292 134040261 /nfs/dbraw/zinc/04/02/61/134040261.db2.gz BTYWZCIDCDEFEV-UHFFFAOYSA-N 0 3 219.288 0.620 20 0 BCADHN CO[C@@H](CN)C(=O)N1Cc2ccccc2C[C@H]1C ZINC000336007949 134049940 /nfs/dbraw/zinc/04/99/40/134049940.db2.gz JEYCJYDKRCKVIH-MFKMUULPSA-N 0 3 248.326 0.934 20 0 BCADHN CN(C)C(=O)CN1CCC[C@@H]2COCC[C@@H]21 ZINC000336009128 134050084 /nfs/dbraw/zinc/05/00/84/134050084.db2.gz FIMUQRFWDRVDDL-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN COC1CCN([C@@H]2CCCNC2=O)CC1 ZINC000336026313 134057194 /nfs/dbraw/zinc/05/71/94/134057194.db2.gz PLHNWHKNUWZOBS-SNVBAGLBSA-N 0 3 212.293 0.376 20 0 BCADHN O=C(CN1CC[C@]2(CCOC2)C1)N1CCC1 ZINC000336040774 134061965 /nfs/dbraw/zinc/06/19/65/134061965.db2.gz QLJFBOQVQNCORW-LBPRGKRZSA-N 0 3 224.304 0.331 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000336090902 134078563 /nfs/dbraw/zinc/07/85/63/134078563.db2.gz HYQWHWKZGLHVOW-UWVGGRQHSA-N 0 3 247.298 0.255 20 0 BCADHN CC(C)[C@H]1CN([C@@H]2CCNC2=O)CCN1C ZINC000336092440 134078674 /nfs/dbraw/zinc/07/86/74/134078674.db2.gz XACMTNIWBJMABJ-GHMZBOCLSA-N 0 3 225.336 0.147 20 0 BCADHN CN(C)C1CN(C(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000336106272 134082519 /nfs/dbraw/zinc/08/25/19/134082519.db2.gz BCTZHDNWFBPQHS-LBPRGKRZSA-N 0 3 237.347 0.386 20 0 BCADHN O=C(C[C@@H]1CCOC1)N[C@@H]1CCN(C2CC2)C1 ZINC000352153834 134083383 /nfs/dbraw/zinc/08/33/83/134083383.db2.gz KBCMSVZLLFSAIG-WDEREUQCSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@@H]1[C@@H](C)N(Cc2ccn(C)n2)CCN1C ZINC000336122623 134092010 /nfs/dbraw/zinc/09/20/10/134092010.db2.gz SQXKMXHVFIUHOB-GHMZBOCLSA-N 0 3 222.336 0.945 20 0 BCADHN NCC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000336127810 134093367 /nfs/dbraw/zinc/09/33/67/134093367.db2.gz VNCGJHBFMWQLED-UHFFFAOYSA-N 0 3 223.251 0.369 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CCCOC1 ZINC000336150681 134104079 /nfs/dbraw/zinc/10/40/79/134104079.db2.gz ZNOPJPIVKKEKNF-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CN1CC[C@@]2(CCN(C(=O)C3(O)CCC3)C2)C1 ZINC000336151544 134104676 /nfs/dbraw/zinc/10/46/76/134104676.db2.gz AHEROECNEBZZCB-GFCCVEGCSA-N 0 3 238.331 0.456 20 0 BCADHN CCN(C[C@H](C)O)[C@H](C)C(=O)N(C)C ZINC000352209157 134107726 /nfs/dbraw/zinc/10/77/26/134107726.db2.gz ABFFEPUXWRIHOI-DTWKUNHWSA-N 0 3 202.298 0.166 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@@H](COC)C1 ZINC000352225546 134109967 /nfs/dbraw/zinc/10/99/67/134109967.db2.gz BIZDSFIHSZZTBZ-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN O=C([C@H]1CCN1)N1CCOc2cc(F)ccc21 ZINC000336173982 134115881 /nfs/dbraw/zinc/11/58/81/134115881.db2.gz FGTXTYDCKKBPQS-SECBINFHSA-N 0 3 236.246 0.913 20 0 BCADHN COC[C@@H]1CCN(CC(=O)NC(C)C)C1 ZINC000352235285 134116410 /nfs/dbraw/zinc/11/64/10/134116410.db2.gz TVRNTNZWNHLCSJ-SNVBAGLBSA-N 0 3 214.309 0.479 20 0 BCADHN NC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CCCC1 ZINC000336176611 134117002 /nfs/dbraw/zinc/11/70/02/134117002.db2.gz RXXCLVNPCKZGRE-PHIMTYICSA-N 0 3 237.347 0.611 20 0 BCADHN C[C@H](NC(=O)NCCN(C)C)c1ccon1 ZINC000352267577 134129114 /nfs/dbraw/zinc/12/91/14/134129114.db2.gz UJNHACSSNKFLRJ-QMMMGPOBSA-N 0 3 226.280 0.596 20 0 BCADHN O=C([C@@H](O)C1CCC1)N1CCN2CCC[C@H]2C1 ZINC000336205464 134131739 /nfs/dbraw/zinc/13/17/39/134131739.db2.gz SNCFTVYLDPDWMS-RYUDHWBXSA-N 0 3 238.331 0.454 20 0 BCADHN O=C1CC[C@@H]2CN([C@@H]3CCCC[C@H]3O)CCN12 ZINC000168459225 134198097 /nfs/dbraw/zinc/19/80/97/134198097.db2.gz ZQHCYKFWTFKKNB-IJLUTSLNSA-N 0 3 238.331 0.597 20 0 BCADHN COC(=O)c1ccc(CN[C@H](C)CN(C)C)[nH]1 ZINC000168712409 134246739 /nfs/dbraw/zinc/24/67/39/134246739.db2.gz ZDXWAMKDXSNFOZ-SECBINFHSA-N 0 3 239.319 0.841 20 0 BCADHN CO[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000168828663 134247389 /nfs/dbraw/zinc/24/73/89/134247389.db2.gz ZCGQXEGYVBMMNK-VHSXEESVSA-N 0 3 214.309 0.574 20 0 BCADHN CC(C)OC[C@H](O)CN1CCCO[C@@H](C)C1 ZINC000218205225 134252711 /nfs/dbraw/zinc/25/27/11/134252711.db2.gz ZDYNARMYXVVWOT-NWDGAFQWSA-N 0 3 231.336 0.883 20 0 BCADHN CCNC(=O)NC(=O)CN(C)C[C@H](C)CC ZINC000171950413 134263157 /nfs/dbraw/zinc/26/31/57/134263157.db2.gz BLVADFXBOQFYJI-SECBINFHSA-N 0 3 229.324 0.810 20 0 BCADHN COC[C@@H]1CN(CCN2CCCCC2)CCO1 ZINC000172887495 134270597 /nfs/dbraw/zinc/27/05/97/134270597.db2.gz VKERYTPHFYYUHO-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN C[C@H]1CCCCN1S(=O)(=O)N(C)C1CNC1 ZINC000085257907 134272346 /nfs/dbraw/zinc/27/23/46/134272346.db2.gz AZUTUAJWPZDNQD-VIFPVBQESA-N 0 3 247.364 0.009 20 0 BCADHN CCCn1cc(CN[C@H](CCO)COC)cn1 ZINC000219131918 134274590 /nfs/dbraw/zinc/27/45/90/134274590.db2.gz CKUMPAHGHWUCFJ-GFCCVEGCSA-N 0 3 241.335 0.780 20 0 BCADHN CN(CCC1CC1)CC(=O)N1CCOCC1 ZINC000173499594 134274822 /nfs/dbraw/zinc/27/48/22/134274822.db2.gz 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CC[C@H](O)CN1CCN(C(C)=O)CC1(C)C ZINC000182181994 134342618 /nfs/dbraw/zinc/34/26/18/134342618.db2.gz FVBYWNXGZSIYPZ-NSHDSACASA-N 0 3 228.336 0.700 20 0 BCADHN CO[C@H](C)CNCc1cnc(N(C)C)n1C ZINC000223945640 134343515 /nfs/dbraw/zinc/34/35/15/134343515.db2.gz YGRAIOVRXWHSBR-SECBINFHSA-N 0 3 226.324 0.611 20 0 BCADHN COC(C)(C)C(=O)N(C)CCN1CCCC1 ZINC000224051331 134344360 /nfs/dbraw/zinc/34/43/60/134344360.db2.gz XVFSUBJVKTUBPR-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CNC(=O)[C@H]1CN(C[C@H]2CC=CCC2)CCO1 ZINC000182476020 134345240 /nfs/dbraw/zinc/34/52/40/134345240.db2.gz LTSPWJSRFQLEQT-NWDGAFQWSA-N 0 3 238.331 0.790 20 0 BCADHN COC[C@H](NC[C@H](O)C(F)F)C1CC1 ZINC000224485077 134347990 /nfs/dbraw/zinc/34/79/90/134347990.db2.gz MRRCMPSDJDWTDH-YUMQZZPRSA-N 0 3 209.236 0.627 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1cnc(N(C)C)nc1 ZINC000182707218 134348115 /nfs/dbraw/zinc/34/81/15/134348115.db2.gz XQVLVTGHVHMKMK-VIFPVBQESA-N 0 3 237.307 0.464 20 0 BCADHN CC(C)N(CC(=O)N1CCNC1=O)C(C)C ZINC000183036787 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134539190 /nfs/dbraw/zinc/53/91/90/134539190.db2.gz CYPWFQPTRUFRKI-VHSXEESVSA-N 0 3 214.284 0.945 20 0 BCADHN CN(C)CCOCCNC(=O)NC1CCCC1 ZINC000231206715 134539581 /nfs/dbraw/zinc/53/95/81/134539581.db2.gz GZVPIDXFWQEGLF-UHFFFAOYSA-N 0 3 243.351 0.806 20 0 BCADHN O=C(c1cn[nH]c1)N1CC[C@H](N2CCCC2)C1 ZINC000061858044 134803161 /nfs/dbraw/zinc/80/31/61/134803161.db2.gz FYJJHOQCLKYBKO-NSHDSACASA-N 0 3 234.303 0.720 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCC[C@@H](O)C(C)C ZINC000236715362 134835232 /nfs/dbraw/zinc/83/52/32/134835232.db2.gz SUOBPTYPOUEWTO-GHMZBOCLSA-N 0 3 230.352 0.883 20 0 BCADHN Cc1cc(CNC[C@@H](O)C(C)C)n(C)n1 ZINC000229985060 134836570 /nfs/dbraw/zinc/83/65/70/134836570.db2.gz YMSJQSKHUXYGSQ-LLVKDONJSA-N 0 3 211.309 0.835 20 0 BCADHN C[C@H]1CCCN1CCN1C(=O)CNC1=O ZINC000076116347 135010170 /nfs/dbraw/zinc/01/01/70/135010170.db2.gz WHEZMMOEZBGKRK-QMMMGPOBSA-N 0 3 211.265 0.023 20 0 BCADHN C[C@@H]1CCCC[C@H]1CN1CCO[C@@H](C(N)=O)C1 ZINC000248446903 135011464 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/nfs/dbraw/zinc/14/82/34/135148234.db2.gz SQSYRSNQYUJCBF-UHFFFAOYSA-N 0 3 227.304 0.929 20 0 BCADHN Cc1ccc([O-])c(CN2CC[C@@H]([NH3+])C2)n1 ZINC000261527345 135151472 /nfs/dbraw/zinc/15/14/72/135151472.db2.gz YYLRWHOUYMOLJK-SECBINFHSA-N 0 3 207.277 0.629 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H](CN)OC ZINC000261532139 135162657 /nfs/dbraw/zinc/16/26/57/135162657.db2.gz JHJWANDSXBIXCC-BBBLOLIVSA-N 0 3 214.309 0.750 20 0 BCADHN CC[C@H](N)C(=O)N(C)C[C@H]1CCOC1 ZINC000261532187 135162722 /nfs/dbraw/zinc/16/27/22/135162722.db2.gz JODAXKQYIBNPSG-BDAKNGLRSA-N 0 3 200.282 0.219 20 0 BCADHN CC1CC(NC(=O)C(N)C(F)(F)F)C1 ZINC000261532772 135163097 /nfs/dbraw/zinc/16/30/97/135163097.db2.gz KDDYTVHFHKUYAH-JMMWHDCWSA-N 0 3 210.199 0.791 20 0 BCADHN C[C@H](N)C(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000261535330 135169712 /nfs/dbraw/zinc/16/97/12/135169712.db2.gz ODMPYGMWCHECDF-VGMNWLOBSA-N 0 3 200.282 0.265 20 0 BCADHN CO[C@H](CNC(=O)C1(N)CC1)C(C)C ZINC000261535819 135170184 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[NH3+]C1(C[N-]S(=O)(=O)c2ccco2)CCC1 ZINC000261563824 135206390 /nfs/dbraw/zinc/20/63/90/135206390.db2.gz CARZRRLBUZXXRJ-UHFFFAOYSA-N 0 3 230.289 0.439 20 0 BCADHN O=C(CN[C@@H]1CCCSC1)N1CCOCC1 ZINC000163999074 135210879 /nfs/dbraw/zinc/21/08/79/135210879.db2.gz BNTLNVRXQBGPIC-SNVBAGLBSA-N 0 3 244.360 0.330 20 0 BCADHN NC(C(=O)NC[C@@H]1CCCO1)C(F)(F)F ZINC000261571302 135213301 /nfs/dbraw/zinc/21/33/01/135213301.db2.gz HKKBOEWRUPVACZ-NTSWFWBYSA-N 0 3 226.198 0.171 20 0 BCADHN COc1ccc(CNC[C@H](C)CO)cn1 ZINC000164216135 135216607 /nfs/dbraw/zinc/21/66/07/135216607.db2.gz MKJFCEOLUSNBGG-VIFPVBQESA-N 0 3 210.277 0.808 20 0 BCADHN NC1(c2noc([C@H]3CCN3)n2)CCCC1 ZINC000261575482 135216978 /nfs/dbraw/zinc/21/69/78/135216978.db2.gz JUEWEIKRWQOJHK-SSDOTTSWSA-N 0 3 208.265 0.832 20 0 BCADHN CC(C)[C@@H](O)C1(CNC(=O)[C@@H](C)N)CC1 ZINC000261579918 135221038 /nfs/dbraw/zinc/22/10/38/135221038.db2.gz MPAIUDJYNJOPSU-RKDXNWHRSA-N 0 3 214.309 0.247 20 0 BCADHN O=S(=O)(CCC1CCC1)N[C@@H]1CCCNC1 ZINC000261585455 135226923 /nfs/dbraw/zinc/22/69/23/135226923.db2.gz QJQPWNWISPUHFK-LLVKDONJSA-N 0 3 246.376 0.848 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCC(F)(F)CN ZINC000261586277 135227840 /nfs/dbraw/zinc/22/78/40/135227840.db2.gz QYRLABRQKGORSR-NKWVEPMBSA-N 0 3 223.267 0.070 20 0 BCADHN CO[C@@H](CN)C(=O)N(C(C)C)C1CCC1 ZINC000261587268 135228709 /nfs/dbraw/zinc/22/87/09/135228709.db2.gz RPXGUWRBPHWEGN-JTQLQIEISA-N 0 3 214.309 0.750 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000261589344 135229773 /nfs/dbraw/zinc/22/97/73/135229773.db2.gz TVQMYAUEMCTTLU-ZYHUDNBSSA-N 0 3 226.320 0.609 20 0 BCADHN COC(=O)[C@H](NC(=O)CN)c1cccs1 ZINC000261592017 135232919 /nfs/dbraw/zinc/23/29/19/135232919.db2.gz VRGUWHNHFJDQHC-MRVPVSSYSA-N 0 3 228.273 0.037 20 0 BCADHN NC1(C(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000261595197 135235325 /nfs/dbraw/zinc/23/53/25/135235325.db2.gz XXLGTFSBLYSKOO-MRVPVSSYSA-N 0 3 238.209 0.003 20 0 BCADHN O=S(=O)([N-]C[C@H]1CCC[NH2+]1)c1ccco1 ZINC000261546366 135238481 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398017928 /nfs/dbraw/zinc/01/79/28/398017928.db2.gz HJSHRVVTVMVBFS-GHMZBOCLSA-N 0 3 226.320 0.502 20 0 BCADHN CC(=O)NCCCNCc1snnc1C ZINC000383521637 398024282 /nfs/dbraw/zinc/02/42/82/398024282.db2.gz ZTQVUACRHLRARW-UHFFFAOYSA-N 0 3 228.321 0.462 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](C)c1nnc2ccccn21 ZINC000054073344 398025330 /nfs/dbraw/zinc/02/53/30/398025330.db2.gz PXXUALSNJVMQQL-BDAKNGLRSA-N 0 3 247.302 0.514 20 0 BCADHN O[C@@H]1CCOC[C@H]1NCc1cccnc1 ZINC000631258646 398027803 /nfs/dbraw/zinc/02/78/03/398027803.db2.gz VXKUYIFYHRTGRH-GHMZBOCLSA-N 0 3 208.261 0.321 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H](CC(N)=O)C1)N(C)C ZINC000377163659 398027837 /nfs/dbraw/zinc/02/78/37/398027837.db2.gz SCMMURRRTFYKRI-UWVGGRQHSA-N 0 3 241.335 0.051 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000490935772 398029636 /nfs/dbraw/zinc/02/96/36/398029636.db2.gz HZVSNSLWBCWTKF-OUAUKWLOSA-N 0 3 244.335 0.280 20 0 BCADHN OCC1(CN2CCC(C3(O)CC3)CC2)COC1 ZINC000649672623 398033998 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/nfs/dbraw/zinc/05/96/35/398059635.db2.gz FVWSKMBHGQTUEP-DTWKUNHWSA-N 0 3 244.360 0.457 20 0 BCADHN NCc1ccc(C(=O)NCCN2CC=CCC2)o1 ZINC000392900486 398060885 /nfs/dbraw/zinc/06/08/85/398060885.db2.gz PUNYFVWWEQWPRB-UHFFFAOYSA-N 0 3 249.314 0.730 20 0 BCADHN CC[C@H]1CN(C[C@H](O)COC)[C@@H](CC)CO1 ZINC000649719173 398061587 /nfs/dbraw/zinc/06/15/87/398061587.db2.gz MQVXLLXDPPBHDA-SRVKXCTJSA-N 0 3 231.336 0.883 20 0 BCADHN CCN[C@H](C)C(=O)NCc1cccnc1 ZINC000638048196 398067217 /nfs/dbraw/zinc/06/72/17/398067217.db2.gz OJEGCVVGLKTCJV-SECBINFHSA-N 0 3 207.277 0.696 20 0 BCADHN Cc1ncc(NC(=O)COC2(C)CNC2)cn1 ZINC000384141875 398070162 /nfs/dbraw/zinc/07/01/62/398070162.db2.gz DPQYEPTZHYDCLK-UHFFFAOYSA-N 0 3 236.275 0.102 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@H](C)[C@H](C)CO ZINC000353472519 398071285 /nfs/dbraw/zinc/07/12/85/398071285.db2.gz PQGSUXPMDNJNFG-OPRDCNLKSA-N 0 3 231.340 0.253 20 0 BCADHN CON1CCC(NCc2snnc2C)CC1 ZINC000384182513 398072259 /nfs/dbraw/zinc/07/22/59/398072259.db2.gz QRMAAZMDCOEYDS-UHFFFAOYSA-N 0 3 242.348 0.962 20 0 BCADHN CC[C@](C)(N)c1cn(C[C@@H](C)OC)nn1 ZINC000384191287 398072353 /nfs/dbraw/zinc/07/23/53/398072353.db2.gz VRZZPYHHHZLPTB-SCZZXKLOSA-N 0 3 212.297 0.897 20 0 BCADHN C[C@H]1CCN(CC(=O)NC(C)(C)C)[C@H]1CO ZINC000248920016 398073324 /nfs/dbraw/zinc/07/33/24/398073324.db2.gz KPZVUMOIPXXWBV-UWVGGRQHSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@](C)(N)c1cn(CC(=O)N2CCC2)nn1 ZINC000384200949 398074641 /nfs/dbraw/zinc/07/46/41/398074641.db2.gz LPYRILKEZUPSQK-NSHDSACASA-N 0 3 237.307 0.094 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2nccn2C)nn1 ZINC000384205003 398074655 /nfs/dbraw/zinc/07/46/55/398074655.db2.gz MYMWSSZBXYCVBJ-LLVKDONJSA-N 0 3 234.307 0.644 20 0 BCADHN COCC(C)(C)NC(=O)/C=C\CN(C)C ZINC000491852068 398075375 /nfs/dbraw/zinc/07/53/75/398075375.db2.gz SKTNYNGWBFMWIG-SREVYHEPSA-N 0 3 214.309 0.645 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@H]1CCCOCC1 ZINC000492368888 398077403 /nfs/dbraw/zinc/07/74/03/398077403.db2.gz TZSBXXHAWYWZSD-UUSYTGMJSA-N 0 3 226.320 0.790 20 0 BCADHN CC[C@](C)(CN[C@@H]1CCO[C@@H]1C(=O)OC)OC ZINC000602709949 398078919 /nfs/dbraw/zinc/07/89/19/398078919.db2.gz LFYXBEFRVKTZLC-JFGNBEQYSA-N 0 3 245.319 0.722 20 0 BCADHN CC[C@@](C)(CN[C@@H]1CCO[C@@H]1C(=O)OC)OC ZINC000602709950 398079107 /nfs/dbraw/zinc/07/91/07/398079107.db2.gz LFYXBEFRVKTZLC-SCVCMEIPSA-N 0 3 245.319 0.722 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1CCOC(C)(C)C ZINC000649742434 398080502 /nfs/dbraw/zinc/08/05/02/398080502.db2.gz CWYVKZVEUOENBT-WDEREUQCSA-N 0 3 231.336 0.883 20 0 BCADHN CCCCOCCN1C[C@H](O)C[C@H]1COC ZINC000649742651 398080508 /nfs/dbraw/zinc/08/05/08/398080508.db2.gz NHSMAPSITDHPFK-NWDGAFQWSA-N 0 3 231.336 0.885 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000041679866 398086424 /nfs/dbraw/zinc/08/64/24/398086424.db2.gz FUVGFOKQHPPSTA-DTWKUNHWSA-N 0 3 214.309 0.750 20 0 BCADHN C[C@H](CNCCOC(F)(F)F)S(C)(=O)=O ZINC000565887669 398086904 /nfs/dbraw/zinc/08/69/04/398086904.db2.gz AFCNDNKWILUPQE-ZCFIWIBFSA-N 0 3 249.254 0.546 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1C[C@H]1CCCCO1 ZINC000649760294 398090710 /nfs/dbraw/zinc/09/07/10/398090710.db2.gz MNHDWWFXSQAECV-IJLUTSLNSA-N 0 3 229.320 0.637 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1CCn1ccnc1C ZINC000649764069 398091296 /nfs/dbraw/zinc/09/12/96/398091296.db2.gz PDFOLRKXZQCZQN-VXGBXAGGSA-N 0 3 239.319 0.273 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1CCc1ccnn1C ZINC000649763926 398091438 /nfs/dbraw/zinc/09/14/38/398091438.db2.gz KFZREHZELXXOFL-VXGBXAGGSA-N 0 3 239.319 0.044 20 0 BCADHN CC[C@H](C(=O)N(C)Cc1nnc(C)o1)N(C)C ZINC000618065904 398053639 /nfs/dbraw/zinc/05/36/39/398053639.db2.gz FEFONEHMUZPCFI-SECBINFHSA-N 0 3 240.307 0.677 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCNC(=O)[C@H]1C ZINC000637963180 398055667 /nfs/dbraw/zinc/05/56/67/398055667.db2.gz KRXICEWUVQJUHT-ZJUUUORDSA-N 0 3 241.335 0.097 20 0 BCADHN CN(c1ncccn1)C1CCN(CCO)CC1 ZINC000340052006 398056608 /nfs/dbraw/zinc/05/66/08/398056608.db2.gz YYXUMAQXLXGBKE-UHFFFAOYSA-N 0 3 236.319 0.370 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000185186574 398058839 /nfs/dbraw/zinc/05/88/39/398058839.db2.gz AMOBEQIOCFLXFH-WDEREUQCSA-N 0 3 239.363 0.680 20 0 BCADHN C[C@@H](O)CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000128936189 398098643 /nfs/dbraw/zinc/09/86/43/398098643.db2.gz DNLIPGDIJZOMBC-DBIOUOCHSA-N 0 3 228.336 0.745 20 0 BCADHN CN(CCC(=O)NC(N)=O)Cc1cccnc1 ZINC000291707867 398099384 /nfs/dbraw/zinc/09/93/84/398099384.db2.gz OQMHDVWPEGSOFV-UHFFFAOYSA-N 0 3 236.275 0.098 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2(N)CCCC2)[C@H](C)O1 ZINC000384617836 398099774 /nfs/dbraw/zinc/09/97/74/398099774.db2.gz PPLYJGCLKIHHMO-KXUCPTDWSA-N 0 3 226.320 0.940 20 0 BCADHN CC1(C)OCC[C@H]1NCC(=O)Nc1ccon1 ZINC000649792209 398102693 /nfs/dbraw/zinc/10/26/93/398102693.db2.gz FHVIYHFJGDTAMF-MRVPVSSYSA-N 0 3 239.275 0.192 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)CCOC)N(C)C ZINC000125039958 171232224 /nfs/dbraw/zinc/23/22/24/171232224.db2.gz IPUXQOVZTDVFHO-VHSXEESVSA-N 0 3 216.325 0.868 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCN2)[C@H](C)O1 ZINC000384564768 398097156 /nfs/dbraw/zinc/09/71/56/398097156.db2.gz IGBCNSDBSQAYEY-YTWAJWBKSA-N 0 3 226.320 0.811 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCN1C ZINC000245406194 398115602 /nfs/dbraw/zinc/11/56/02/398115602.db2.gz WIWMOJAZAKVVGW-KXUCPTDWSA-N 0 3 240.303 0.006 20 0 BCADHN C[C@H](CO)C1CCN([C@H]2CCNC2=O)CC1 ZINC000649801271 398109811 /nfs/dbraw/zinc/10/98/11/398109811.db2.gz NSUIQFACAHTIOE-KOLCDFICSA-N 0 3 226.320 0.215 20 0 BCADHN CC[C@H](C(N)=O)N1CCC([C@@H](C)CO)CC1 ZINC000649802252 398111213 /nfs/dbraw/zinc/11/12/13/398111213.db2.gz IQLRSNWLFSDRRN-GXSJLCMTSA-N 0 3 228.336 0.591 20 0 BCADHN Cc1ccn(CC(=O)N2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000650322979 398111543 /nfs/dbraw/zinc/11/15/43/398111543.db2.gz YYPLQNDYHOUJBE-VXGBXAGGSA-N 0 3 248.330 0.354 20 0 BCADHN C[C@@H](N)C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000237465534 398112249 /nfs/dbraw/zinc/11/22/49/398112249.db2.gz DDAYPEDCOXXXAB-KKZNHRDASA-N 0 3 214.309 0.391 20 0 BCADHN CC[C@H](N)c1cn(CCC[C@H](C)O)nn1 ZINC000389683468 398121488 /nfs/dbraw/zinc/12/14/88/398121488.db2.gz FUXQUHBBOHYOGX-IUCAKERBSA-N 0 3 212.297 0.849 20 0 BCADHN CC[C@H](Cn1cncn1)NCC(=O)NC(C)C ZINC000340459850 398125704 /nfs/dbraw/zinc/12/57/04/398125704.db2.gz FIPLBANWVWCHAL-SNVBAGLBSA-N 0 3 239.323 0.171 20 0 BCADHN CC[C@H](O)[C@H]1CCCCN1CC(=O)NC1CC1 ZINC000078724629 398131535 /nfs/dbraw/zinc/13/15/35/398131535.db2.gz LTPUOTBVJKLSMQ-NEPJUHHUSA-N 0 3 240.347 0.890 20 0 BCADHN COC(=O)c1nccc(N2CCN[C@H](C)C2)n1 ZINC000090736898 398122205 /nfs/dbraw/zinc/12/22/05/398122205.db2.gz HRIZOCSDNFYMJQ-MRVPVSSYSA-N 0 3 236.275 0.061 20 0 BCADHN CC(C)NC(=O)CCN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339624218 167041568 /nfs/dbraw/zinc/04/15/68/167041568.db2.gz XPIQWIOTDXHNDZ-VXGBXAGGSA-N 0 3 241.379 0.926 20 0 BCADHN CN(C)CCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC000338093243 172460066 /nfs/dbraw/zinc/46/00/66/172460066.db2.gz KZCICRVCPUWMPN-BQBZGAKWSA-N 0 3 206.236 0.565 20 0 BCADHN CNC(=O)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000123365844 173287322 /nfs/dbraw/zinc/28/73/22/173287322.db2.gz GQSXUNYFSACAPL-OCAPTIKFSA-N 0 3 213.281 0.315 20 0 BCADHN CNC(=O)[C@@H](CCSC)N[C@H]1CCOC1 ZINC000336770292 173296429 /nfs/dbraw/zinc/29/64/29/173296429.db2.gz VQHVWXFWBLAYAN-DTWKUNHWSA-N 0 3 232.349 0.233 20 0 BCADHN CNC(=O)CN[C@H](COC)CC(C)C ZINC000308576480 173278730 /nfs/dbraw/zinc/27/87/30/173278730.db2.gz DQXZRLFXXMUONU-VIFPVBQESA-N 0 3 202.298 0.383 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000374405740 167053645 /nfs/dbraw/zinc/05/36/45/167053645.db2.gz ZARGIHBYYMFZHJ-RYUDHWBXSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CCO[C@@H]1C ZINC000119906323 167057641 /nfs/dbraw/zinc/05/76/41/167057641.db2.gz LCQZBDOENNUNAZ-RKDXNWHRSA-N 0 3 200.282 0.278 20 0 BCADHN COCCN(C)CCN1CCCOCC1 ZINC000340284554 174276014 /nfs/dbraw/zinc/27/60/14/174276014.db2.gz IKBQTYLNICKRQW-UHFFFAOYSA-N 0 3 216.325 0.287 20 0 BCADHN COCCOCCN(C)CC(C)(C)CO ZINC000336696566 174351804 /nfs/dbraw/zinc/35/18/04/174351804.db2.gz NZYSTYKHUOTKNF-UHFFFAOYSA-N 0 3 219.325 0.600 20 0 BCADHN COCC[C@@H](N)C(=O)N(C)CC1CC1 ZINC000052808816 174392093 /nfs/dbraw/zinc/39/20/93/174392093.db2.gz MHILQMMHGAEXNM-SECBINFHSA-N 0 3 200.282 0.219 20 0 BCADHN CC(C)(CO)N1CCN([C@@H]2CCCOC2)CC1 ZINC000674302572 487557096 /nfs/dbraw/zinc/55/70/96/487557096.db2.gz OEXKMTVGLMNWIW-GFCCVEGCSA-N 0 3 242.363 0.554 20 0 BCADHN CCC(=O)NCCN1CCC(OC)CC1 ZINC000674310746 487558980 /nfs/dbraw/zinc/55/89/80/487558980.db2.gz OSXTYFGFQWLFKT-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CCOC(=O)c1cnccc1N1CCNCC1 ZINC000260184885 322883679 /nfs/dbraw/zinc/88/36/79/322883679.db2.gz QXJJRHNQXSTWQP-UHFFFAOYSA-N 0 3 235.287 0.668 20 0 BCADHN CCN(Cc1ccccn1)C[C@@H]1CNCCO1 ZINC000094916672 487563690 /nfs/dbraw/zinc/56/36/90/487563690.db2.gz JJTHCPJXFOSKCO-ZDUSSCGKSA-N 0 3 235.331 0.892 20 0 BCADHN C[C@@H]1CSC[C@H]1N[C@@H]1CCNC1=O ZINC000307042156 176356252 /nfs/dbraw/zinc/35/62/52/176356252.db2.gz RZOWHZGSVYMZPL-BWZBUEFSSA-N 0 3 200.307 0.216 20 0 BCADHN CCNC(=O)c1ccc(N2CCN[C@@H](C)C2)nn1 ZINC000095008799 487565340 /nfs/dbraw/zinc/56/53/40/487565340.db2.gz RHBACIKUSXAPMR-VIFPVBQESA-N 0 3 249.318 0.024 20 0 BCADHN CC(C)OCC(=O)N1CCCNCC1 ZINC000042355027 167180516 /nfs/dbraw/zinc/18/05/16/167180516.db2.gz VHHFCHXLPCEHDC-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN C[C@H]1CSCCN1C[C@@H]1COCCO1 ZINC000336555467 177305140 /nfs/dbraw/zinc/30/51/40/177305140.db2.gz IRNLAUBSOVRSTR-VHSXEESVSA-N 0 3 217.334 0.839 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCOC(F)(F)F ZINC000238162521 487569026 /nfs/dbraw/zinc/56/90/26/487569026.db2.gz IUVVQYHOLKBPED-LURJTMIESA-N 0 3 228.214 0.622 20 0 BCADHN CCOC(=O)CNC(=O)CN(CC)CC ZINC000039118982 322893357 /nfs/dbraw/zinc/89/33/57/322893357.db2.gz RQXSBPJWNMYMEO-UHFFFAOYSA-N 0 3 216.281 0.008 20 0 BCADHN C[C@H](NC(=O)CN)[C@@H](O)Cc1ccccc1 ZINC000521046490 322900090 /nfs/dbraw/zinc/90/00/90/322900090.db2.gz UOFSTYHZKSCYDT-ONGXEEELSA-N 0 3 222.288 0.053 20 0 BCADHN CC(C)OCCCN(C)[C@@H]1CCNC1=O ZINC000340222490 167210522 /nfs/dbraw/zinc/21/05/22/167210522.db2.gz XSPDOQCCKTUTPQ-SNVBAGLBSA-N 0 3 214.309 0.622 20 0 BCADHN O[C@@H]1C[C@H](O)CN(CC[C@@H]2CCCCO2)C1 ZINC000680375272 487576936 /nfs/dbraw/zinc/57/69/36/487576936.db2.gz MRYNLWUAXWFAOV-TUAOUCFPSA-N 0 3 229.320 0.373 20 0 BCADHN COC[C@@H]1CCN(C(=O)CNC(C)C)C1 ZINC000081061237 487577428 /nfs/dbraw/zinc/57/74/28/487577428.db2.gz JPDVGTSPQVLQHO-SNVBAGLBSA-N 0 3 214.309 0.479 20 0 BCADHN Cc1nocc1C(=O)N1CCCNCC1 ZINC000082239323 487578450 /nfs/dbraw/zinc/57/84/50/487578450.db2.gz JSGBDNWWBVQGIT-UHFFFAOYSA-N 0 3 209.249 0.419 20 0 BCADHN CNC(=O)[C@H]1CCCCN1C[C@H](C)CO ZINC000120790254 490068503 /nfs/dbraw/zinc/06/85/03/490068503.db2.gz AWANVHFFQLOQOH-VHSXEESVSA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)[C@H]1C[C@@H](N[C@H]2CCNC2=O)CS1 ZINC000668813435 487580138 /nfs/dbraw/zinc/58/01/38/487580138.db2.gz FOURUILRFOYJCE-KXUCPTDWSA-N 0 3 228.361 0.995 20 0 BCADHN O[C@@H]1C[C@H](O)CN(CCc2ccncc2)C1 ZINC000674465805 487580795 /nfs/dbraw/zinc/58/07/95/487580795.db2.gz UBURWHMCTMMPPH-TXEJJXNPSA-N 0 3 222.288 0.052 20 0 BCADHN CCCCOCCN1C[C@H](O)C[C@H](O)C1 ZINC000674465061 487581244 /nfs/dbraw/zinc/58/12/44/487581244.db2.gz NDBZFNVXKJOSPV-PHIMTYICSA-N 0 3 217.309 0.231 20 0 BCADHN Cc1nccc(N2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000405433164 487582636 /nfs/dbraw/zinc/58/26/36/487582636.db2.gz BJCIQKXXFMURNI-WDEREUQCSA-N 0 3 234.303 0.040 20 0 BCADHN Cc1ccc(CN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000674466762 487582505 /nfs/dbraw/zinc/58/25/05/487582505.db2.gz NVGYWXADANLXLX-BETUJISGSA-N 0 3 221.300 0.923 20 0 BCADHN C[C@@H](CN(C)C)NC[C@@H](O)C(F)(F)F ZINC000130479596 487584275 /nfs/dbraw/zinc/58/42/75/487584275.db2.gz HRKJCPGEHOSIEW-NKWVEPMBSA-N 0 3 214.231 0.449 20 0 BCADHN CC(C)c1cc(CNC(=O)C2(N)CC2)on1 ZINC000158735170 487585386 /nfs/dbraw/zinc/58/53/86/487585386.db2.gz QRDRZPWZCDRNTM-UHFFFAOYSA-N 0 3 223.276 0.906 20 0 BCADHN Cc1ccc(CCN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000674496996 487587166 /nfs/dbraw/zinc/58/71/66/487587166.db2.gz FMXBDKUQDOXFME-OKILXGFUSA-N 0 3 235.327 0.965 20 0 BCADHN CC(C)OC[C@@H](O)CN(C)CC[C@@H](C)O ZINC000127989392 167258658 /nfs/dbraw/zinc/25/86/58/167258658.db2.gz VAMSTTDDJTXLBE-MNOVXSKESA-N 0 3 219.325 0.475 20 0 BCADHN CC(C)OC[C@@H](O)CN1CC[C@@H](O)C(C)(C)C1 ZINC000336708146 167260794 /nfs/dbraw/zinc/26/07/94/167260794.db2.gz NRFWNWVFJHEOOS-NWDGAFQWSA-N 0 3 245.363 0.865 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCC[C@H](O)C1 ZINC000070199427 167260971 /nfs/dbraw/zinc/26/09/71/167260971.db2.gz CZJWPJSSPUFOQH-QWRGUYRKSA-N 0 3 217.309 0.229 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCC[C@H]2COC[C@H]21 ZINC000370233014 167261032 /nfs/dbraw/zinc/26/10/32/167261032.db2.gz LINMTDFCTKCIAK-RWMBFGLXSA-N 0 3 243.347 0.883 20 0 BCADHN CC(C)OC[C@@H](O)CN[C@@](C)(C(N)=O)C(C)C ZINC000310093316 167261651 /nfs/dbraw/zinc/26/16/51/167261651.db2.gz GIEFACQBQSTRSY-CMPLNLGQSA-N 0 3 246.351 0.262 20 0 BCADHN CC(C)OC[C@H](C)N[C@H]1CC(=O)N(C)C1 ZINC000336760616 167267407 /nfs/dbraw/zinc/26/74/07/167267407.db2.gz MGSPTQXUNFSHPX-UWVGGRQHSA-N 0 3 214.309 0.620 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@H](O)C[C@H]1C ZINC000308754411 167268976 /nfs/dbraw/zinc/26/89/76/167268976.db2.gz URLGUNOQMAHOMP-GMTAPVOTSA-N 0 3 217.309 0.227 20 0 BCADHN CC(C)OC[C@H](O)CN1CCSCC1 ZINC000070187437 167269850 /nfs/dbraw/zinc/26/98/50/167269850.db2.gz HCQZKPCXNDEKEV-SNVBAGLBSA-N 0 3 219.350 0.821 20 0 BCADHN CC(C)NC(=O)CN[C@H]1CS[C@@H](C)C1 ZINC000086934877 487591984 /nfs/dbraw/zinc/59/19/84/487591984.db2.gz WNSRNDJRIPWLHS-DTWKUNHWSA-N 0 3 216.350 0.995 20 0 BCADHN C1COC[C@H](N2CCN3CCOC[C@@H]3C2)C1 ZINC000680430215 487592723 /nfs/dbraw/zinc/59/27/23/487592723.db2.gz SKXALRVGPFUZSI-NEPJUHHUSA-N 0 3 226.320 0.182 20 0 BCADHN Cc1cc(CN2CCN3C[C@H](O)C[C@H]3C2)ncn1 ZINC000653828939 487594776 /nfs/dbraw/zinc/59/47/76/487594776.db2.gz MRMFZQWKBWYDAN-QWHCGFSZSA-N 0 3 248.330 0.036 20 0 BCADHN CC(C)O[C@H]1C[C@H](N[C@@H]2COC[C@H]2O)C1(C)C ZINC000331612916 167282955 /nfs/dbraw/zinc/28/29/55/167282955.db2.gz WSIVVEATRBVNRS-WYUUTHIRSA-N 0 3 243.347 0.928 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@H]1COC ZINC000674588150 487597268 /nfs/dbraw/zinc/59/72/68/487597268.db2.gz PMNSIFANCKWULQ-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN COC[C@@H]1CCCN1C(=O)C(C)S(C)(=O)=O ZINC000674590163 487597870 /nfs/dbraw/zinc/59/78/70/487597870.db2.gz HTNYUXBHGUCZSI-BDAKNGLRSA-N 0 3 249.332 0.057 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(CN)o1)N(C)C ZINC000087046539 487600694 /nfs/dbraw/zinc/60/06/94/487600694.db2.gz SZKVAJYXHVLLPG-QMMMGPOBSA-N 0 3 225.292 0.418 20 0 BCADHN CCCn1nccc1CN[C@H](CO)CCOC ZINC000305912218 487604285 /nfs/dbraw/zinc/60/42/85/487604285.db2.gz IXBQLSVJONCZSQ-NSHDSACASA-N 0 3 241.335 0.780 20 0 BCADHN CCn1ccc(NC(=O)C[C@@H]2CNCCO2)n1 ZINC000306030999 487605470 /nfs/dbraw/zinc/60/54/70/487605470.db2.gz WFDNOZGKPZDYKP-SECBINFHSA-N 0 3 238.291 0.220 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ccn(C)n2)CN1C1CC1 ZINC000674688533 487605914 /nfs/dbraw/zinc/60/59/14/487605914.db2.gz CQSTVCKKKGPLNR-NXEZZACHSA-N 0 3 248.330 0.775 20 0 BCADHN C[C@@H](C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)N(C)C ZINC000674690144 487606005 /nfs/dbraw/zinc/60/60/05/487606005.db2.gz UZLRFSMLJGRFLJ-VWYCJHECSA-N 0 3 239.363 0.678 20 0 BCADHN CC(C)SCCN1C[C@H](O)C[C@H]1CO ZINC000374916268 167329336 /nfs/dbraw/zinc/32/93/36/167329336.db2.gz PYZCOLAHEGFPBA-VHSXEESVSA-N 0 3 219.350 0.556 20 0 BCADHN CN(CCOCCO)CC1=CCSC1 ZINC000662267748 409569353 /nfs/dbraw/zinc/56/93/53/409569353.db2.gz YALYXXIOPGAXPL-UHFFFAOYSA-N 0 3 217.334 0.600 20 0 BCADHN CC(C)SCCNC(=O)NCCN(C)C ZINC000358534894 167330801 /nfs/dbraw/zinc/33/08/01/167330801.db2.gz MCLKRGVPBWKGRD-UHFFFAOYSA-N 0 3 233.381 0.989 20 0 BCADHN N[C@@H]1CN(CCn2cccn2)CC[C@H]1F ZINC000662325630 409642237 /nfs/dbraw/zinc/64/22/37/409642237.db2.gz OJFNJVDSTKCFPM-NXEZZACHSA-N 0 3 212.272 0.254 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@@H](F)[C@H](N)C2)CCO1 ZINC000662326718 409641510 /nfs/dbraw/zinc/64/15/10/409641510.db2.gz ZOSREIOUZOJGTA-IJLUTSLNSA-N 0 3 245.342 0.078 20 0 BCADHN CO[C@](C)(CO)CNC(=O)[C@H](C(C)C)N(C)C ZINC000655212853 409578641 /nfs/dbraw/zinc/57/86/41/409578641.db2.gz NSHZJXHOYPSDRD-JQWIXIFHSA-N 0 3 246.351 0.086 20 0 BCADHN Cc1nnc([C@@H](C)N2CCNC[C@](C)(F)C2)[nH]1 ZINC000662272697 409580780 /nfs/dbraw/zinc/58/07/80/409580780.db2.gz GXSCYQVCZRGIHL-KCJUWKMLSA-N 0 3 241.314 0.808 20 0 BCADHN N[C@@H]1CN(CCO[C@@H]2CC2(F)F)CC[C@H]1F ZINC000662326612 409643024 /nfs/dbraw/zinc/64/30/24/409643024.db2.gz XEIBFKFMZCTZLI-IWSPIJDZSA-N 0 3 238.253 0.782 20 0 BCADHN CCN1CC[C@@H](N2CCNC[C@@](C)(F)C2)C1=O ZINC000662274688 409586409 /nfs/dbraw/zinc/58/64/09/409586409.db2.gz WEJUJPMOVYIKGG-ZYHUDNBSSA-N 0 3 243.326 0.241 20 0 BCADHN O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCCNCC1 ZINC000662395004 409696815 /nfs/dbraw/zinc/69/68/15/409696815.db2.gz APIWQBGKMKUNJU-URLYPYJESA-N 0 3 208.305 0.854 20 0 BCADHN CC(C)NCC(=O)NCc1nccn1C(F)F ZINC000662418951 409705260 /nfs/dbraw/zinc/70/52/60/409705260.db2.gz DCUHKMUBTLBXDF-UHFFFAOYSA-N 0 3 246.261 0.892 20 0 BCADHN C[C@@H]1CN(CCO)CCN1CCc1cccnc1 ZINC000660760500 409721476 /nfs/dbraw/zinc/72/14/76/409721476.db2.gz QQOJKCXNQHHNIH-CYBMUJFWSA-N 0 3 249.358 0.623 20 0 BCADHN CC[C@H](NC)C(=O)N1CCCC[C@H]1C(=O)NC ZINC000662489479 409733616 /nfs/dbraw/zinc/73/36/16/409733616.db2.gz RRMDYAXIMRDPDM-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)[C@@H](O)CN[C@@H](CO)c1ccnn1C ZINC000660779748 409737272 /nfs/dbraw/zinc/73/72/72/409737272.db2.gz VSFNHQZATIBHFT-ONGXEEELSA-N 0 3 227.308 0.060 20 0 BCADHN CC(C)[C@H](O)CN[C@H](CO)c1ccnn1C ZINC000660779744 409738326 /nfs/dbraw/zinc/73/83/26/409738326.db2.gz VSFNHQZATIBHFT-MWLCHTKSSA-N 0 3 227.308 0.060 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000662667834 409826165 /nfs/dbraw/zinc/82/61/65/409826165.db2.gz ZBKYBBZMSVAKIB-GUBZILKMSA-N 0 3 214.309 0.668 20 0 BCADHN COCCN(C)CCCNC(=O)[C@H]1C[C@@H]1C ZINC000041951041 409837300 /nfs/dbraw/zinc/83/73/00/409837300.db2.gz HJBDSNHTRKKAIN-QWRGUYRKSA-N 0 3 228.336 0.727 20 0 BCADHN NC1(C(=O)N2CC[C@@H](Cn3ccnn3)C2)CCC1 ZINC000662619212 409790540 /nfs/dbraw/zinc/79/05/40/409790540.db2.gz KGAXQHUDBGGENG-SNVBAGLBSA-N 0 3 249.318 0.008 20 0 BCADHN CC(=O)N[C@H]1CCN(CC2(C)COC2)C1 ZINC000660834450 409817982 /nfs/dbraw/zinc/81/79/82/409817982.db2.gz YBORZEKTDNJACM-JTQLQIEISA-N 0 3 212.293 0.233 20 0 BCADHN C[C@H](NC[C@@H]1CCC(=O)N1)c1cn[nH]c1 ZINC000308801878 409906515 /nfs/dbraw/zinc/90/65/15/409906515.db2.gz MZBKYJDDQTWRHR-CBAPKCEASA-N 0 3 208.265 0.339 20 0 BCADHN C[C@H](NC1COCCOC1)[C@@H]1CCCO1 ZINC000308831563 409910374 /nfs/dbraw/zinc/91/03/74/409910374.db2.gz JQNUJROHGQMHNG-ONGXEEELSA-N 0 3 215.293 0.559 20 0 BCADHN CN(C)CC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655350329 409922822 /nfs/dbraw/zinc/92/28/22/409922822.db2.gz IDWJYPCEFQANQE-VXGBXAGGSA-N 0 3 239.363 0.681 20 0 BCADHN CNC(=O)CCNCc1cccc(OC)c1 ZINC000044987742 409871812 /nfs/dbraw/zinc/87/18/12/409871812.db2.gz LCCCVHMAGODHNR-UHFFFAOYSA-N 0 3 222.288 0.921 20 0 BCADHN CC[C@@H](NC)C(=O)N1CCN(C)c2ncccc21 ZINC000662735266 409877769 /nfs/dbraw/zinc/87/77/69/409877769.db2.gz VPRWSYUAYWTCGN-SNVBAGLBSA-N 0 3 248.330 0.862 20 0 BCADHN CC[C@H](NC)C(=O)N1CCN(C)c2ncccc21 ZINC000662735260 409877982 /nfs/dbraw/zinc/87/79/82/409877982.db2.gz VPRWSYUAYWTCGN-JTQLQIEISA-N 0 3 248.330 0.862 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000662735536 409878751 /nfs/dbraw/zinc/87/87/51/409878751.db2.gz DYHMPAXFOZLJPD-UJKKYXBJSA-N 0 3 234.274 0.927 20 0 BCADHN CCN(C(=O)[C@@H]1CCN(C)C1)c1cnn(C)c1 ZINC000655330833 409897198 /nfs/dbraw/zinc/89/71/98/409897198.db2.gz IOCGUEPJBFCKNS-SNVBAGLBSA-N 0 3 236.319 0.725 20 0 BCADHN C[C@H](C(=O)NC/C=C/CO)[C@@H](N)c1ccccc1 ZINC000662855268 409954818 /nfs/dbraw/zinc/95/48/18/409954818.db2.gz GSZUTCJLDDKRPK-LRLQIDNFSA-N 0 3 248.326 0.987 20 0 BCADHN N[C@H](CC1CCCCC1)C(=O)NC/C=C/CO ZINC000662857674 409957321 /nfs/dbraw/zinc/95/73/21/409957321.db2.gz BZVQJVLGUWYLHH-ZYOFXKKJSA-N 0 3 240.347 0.949 20 0 BCADHN CC1(C)C[C@@H](NCCNc2cnccn2)CO1 ZINC000557189823 409957857 /nfs/dbraw/zinc/95/78/57/409957857.db2.gz VKSKLEMEZSPKMY-SNVBAGLBSA-N 0 3 236.319 1.046 20 0 BCADHN Cc1cncc(CCNC(=O)[C@@H](N)C(C)C)n1 ZINC000658955273 409988646 /nfs/dbraw/zinc/98/86/46/409988646.db2.gz UXBDHGQJWMWGLF-NSHDSACASA-N 0 3 236.319 0.427 20 0 BCADHN Cc1c(CN)c(NC(=O)c2cccn2C)nn1C ZINC000662839814 409949126 /nfs/dbraw/zinc/94/91/26/409949126.db2.gz YVMQMAQAWQXJKZ-UHFFFAOYSA-N 0 3 247.302 0.778 20 0 BCADHN NC1(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000662839411 409949204 /nfs/dbraw/zinc/94/92/04/409949204.db2.gz QNXLPZNDGAFTQC-QWRGUYRKSA-N 0 3 237.347 0.611 20 0 BCADHN CN(C[C@@H]1CC1(C)C)C(=O)C[C@H]1CNCCO1 ZINC000662991360 410016460 /nfs/dbraw/zinc/01/64/60/410016460.db2.gz SSGPHQSXHBTQQU-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN CC1(C)CN(C(=O)CN)[C@@H]1c1cccnc1 ZINC000663023641 410038207 /nfs/dbraw/zinc/03/82/07/410038207.db2.gz YGENOHYLZZSWNR-LLVKDONJSA-N 0 3 219.288 0.950 20 0 BCADHN C[C@H]1SCC[C@@H]1NC(=O)CCOC1CNC1 ZINC000653175408 410150660 /nfs/dbraw/zinc/15/06/60/410150660.db2.gz YCHMXNDPAFSTLX-SCZZXKLOSA-N 0 3 244.360 0.375 20 0 BCADHN CC[C@](C)(N)c1cn(CCCCO)nn1 ZINC000395137076 487613583 /nfs/dbraw/zinc/61/35/83/487613583.db2.gz AOFIKLWXAMCRGU-JTQLQIEISA-N 0 3 212.297 0.635 20 0 BCADHN CC(C)N(C)CC(=O)N(C[C@@H](C)O)C1CC1 ZINC000655377491 410117792 /nfs/dbraw/zinc/11/77/92/410117792.db2.gz FIGAYEXRQQLXGB-SNVBAGLBSA-N 0 3 228.336 0.698 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCCCN1 ZINC000653171572 410141475 /nfs/dbraw/zinc/14/14/75/410141475.db2.gz AQIOMZRENDDTBA-PHIMTYICSA-N 0 3 225.336 0.986 20 0 BCADHN O=C(C[C@@H]1CSCCN1)N1CCCCN1 ZINC000653171888 410141601 /nfs/dbraw/zinc/14/16/01/410141601.db2.gz NPDXAZSBXLVFGW-SECBINFHSA-N 0 3 229.349 0.209 20 0 BCADHN O=C(CNC1CC1)N[C@H]1CNc2ccccc2C1 ZINC000653209425 410166077 /nfs/dbraw/zinc/16/60/77/410166077.db2.gz FOSVQFXBEJGQAG-GFCCVEGCSA-N 0 3 245.326 0.891 20 0 BCADHN C[C@H](CN(C)C[C@@H]1CCOC1)CS(C)(=O)=O ZINC000119618926 410175353 /nfs/dbraw/zinc/17/53/53/410175353.db2.gz AULWOEFZQFQFDT-MNOVXSKESA-N 0 3 249.376 0.635 20 0 BCADHN CC(C)CCN1C(=O)C[C@@H](NC[C@@H](C)O)C1=O ZINC000653282703 487614208 /nfs/dbraw/zinc/61/42/08/487614208.db2.gz GWAIJZRLEIQLBH-NXEZZACHSA-N 0 3 242.319 0.130 20 0 BCADHN CC(C)CCN1C(=O)C[C@H](NC[C@@H](C)O)C1=O ZINC000653282706 487614213 /nfs/dbraw/zinc/61/42/13/487614213.db2.gz GWAIJZRLEIQLBH-ZJUUUORDSA-N 0 3 242.319 0.130 20 0 BCADHN C[C@H](N)C(=O)N1C[C@@H](C)OCC12CCC2 ZINC000653254354 410237180 /nfs/dbraw/zinc/23/71/80/410237180.db2.gz PBPLGRNEEPTVAZ-BDAKNGLRSA-N 0 3 212.293 0.504 20 0 BCADHN C[C@@H]1CN(C(=O)CNC2CC2)C2(CCC2)CO1 ZINC000653254624 410237417 /nfs/dbraw/zinc/23/74/17/410237417.db2.gz WNUDDGJHOHLDHK-SNVBAGLBSA-N 0 3 238.331 0.908 20 0 BCADHN C[C@H]1CN(C(=O)CNC2CC2)C2(CCC2)CO1 ZINC000653254623 410238170 /nfs/dbraw/zinc/23/81/70/410238170.db2.gz WNUDDGJHOHLDHK-JTQLQIEISA-N 0 3 238.331 0.908 20 0 BCADHN CC[C@H](C)N(CC)CCS(=O)(=O)N(C)C ZINC000661103568 410222119 /nfs/dbraw/zinc/22/21/19/410222119.db2.gz HDRKNNFFSQSGLY-JTQLQIEISA-N 0 3 236.381 0.998 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCC([C@@H](C)CO)CC1 ZINC000653252380 410232076 /nfs/dbraw/zinc/23/20/76/410232076.db2.gz QELMCELHPMBWJC-JQWIXIFHSA-N 0 3 242.363 0.837 20 0 BCADHN CC[C@@H](O)CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000663773849 410326514 /nfs/dbraw/zinc/32/65/14/410326514.db2.gz JACXWAYOHXLLMJ-NXEZZACHSA-N 0 3 229.324 0.151 20 0 BCADHN CCc1cc(C)nc(N[C@@H](CO)CN(C)C)n1 ZINC000663910974 410369512 /nfs/dbraw/zinc/36/95/12/410369512.db2.gz UDHIJAYSHSCOCY-LLVKDONJSA-N 0 3 238.335 0.682 20 0 BCADHN CCc1cc(C)nc(N[C@H](CO)CN(C)C)n1 ZINC000663910975 410370146 /nfs/dbraw/zinc/37/01/46/410370146.db2.gz UDHIJAYSHSCOCY-NSHDSACASA-N 0 3 238.335 0.682 20 0 BCADHN C[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cnccc1N ZINC000650743293 410380854 /nfs/dbraw/zinc/38/08/54/410380854.db2.gz PYCQXDLSDZWJHH-XHNCKOQMSA-N 0 3 234.303 0.409 20 0 BCADHN CN(CC[C@H]1CCS(=O)(=O)C1)C1CC(O)C1 ZINC000680581759 487616883 /nfs/dbraw/zinc/61/68/83/487616883.db2.gz ZWCPVPMUOWESEL-WHXUTIOJSA-N 0 3 247.360 0.266 20 0 BCADHN Cn1ncnc1C(=O)NC1CCN(C2CC2)CC1 ZINC000664245619 410530582 /nfs/dbraw/zinc/53/05/82/410530582.db2.gz ZRQNKXAZSWPEST-UHFFFAOYSA-N 0 3 249.318 0.172 20 0 BCADHN CCN1C[C@@H](CNCc2ccnn2C)CC1=O ZINC000652002086 410569755 /nfs/dbraw/zinc/56/97/55/410569755.db2.gz FLEHIWBQBJASLA-SNVBAGLBSA-N 0 3 236.319 0.378 20 0 BCADHN CC1(C)COC[C@H]1NCCn1ccccc1=O ZINC000313035700 410605267 /nfs/dbraw/zinc/60/52/67/410605267.db2.gz WRAXTUQBVFAKLF-LLVKDONJSA-N 0 3 236.315 0.863 20 0 BCADHN COCc1ccnc(NC(=O)[C@@H](C)N)c1 ZINC000653276725 410577253 /nfs/dbraw/zinc/57/72/53/410577253.db2.gz OOOKHUCFQZYJIN-SSDOTTSWSA-N 0 3 209.249 0.514 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H](O)CC1 ZINC000341459530 169763250 /nfs/dbraw/zinc/76/32/50/169763250.db2.gz OGMUDYQOIXJNJI-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN COCc1ccnc(NC(=O)[C@H]2CCN2)c1 ZINC000653275314 410560821 /nfs/dbraw/zinc/56/08/21/410560821.db2.gz BRZPNMDQVJFPMP-SECBINFHSA-N 0 3 221.260 0.528 20 0 BCADHN CC(C)(N)c1cn(Cc2cscn2)nn1 ZINC000070117865 410664854 /nfs/dbraw/zinc/66/48/54/410664854.db2.gz RPDXTLLHYORCRJ-UHFFFAOYSA-N 0 3 223.305 0.977 20 0 BCADHN C[C@H]1CCCN(CC(=O)NC2CC2)[C@@H]1CCO ZINC000661486963 410698856 /nfs/dbraw/zinc/69/88/56/410698856.db2.gz MNHSCPGXXSGWJL-CMPLNLGQSA-N 0 3 240.347 0.748 20 0 BCADHN CNC(=O)CN1CCC[C@H](C)[C@H]1CCO ZINC000661491626 410705727 /nfs/dbraw/zinc/70/57/27/410705727.db2.gz VARKVKXGUZIRRQ-VHSXEESVSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000661499328 410710127 /nfs/dbraw/zinc/71/01/27/410710127.db2.gz BIDSPPNAUKGWBI-WCFLWFBJSA-N 0 3 240.347 0.822 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCOC[C@@H]1C ZINC000337580541 169768612 /nfs/dbraw/zinc/76/86/12/169768612.db2.gz BNOLXNUYTZLNON-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN COc1ccc(C(=O)NC[C@H]2CNCCO2)o1 ZINC000655478130 410713037 /nfs/dbraw/zinc/71/30/37/410713037.db2.gz NSEYUCOCISKRSK-MRVPVSSYSA-N 0 3 240.259 0.006 20 0 BCADHN CO[C@](C)(CNCC(=O)NC1CC1)C1CC1 ZINC000393752969 410757064 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CC(C)OC[C@H](O)CN1CCN(C)C[C@H]1C ZINC000300353630 167270277 /nfs/dbraw/zinc/27/02/77/167270277.db2.gz ISEWDWOYSJBULR-VXGBXAGGSA-N 0 3 230.352 0.408 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@@H](O)C[C@@H]1C ZINC000308754409 167270393 /nfs/dbraw/zinc/27/03/93/167270393.db2.gz URLGUNOQMAHOMP-GARJFASQSA-N 0 3 217.309 0.227 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC[C@]1(C)CCOC1 ZINC000397276597 410918989 /nfs/dbraw/zinc/91/89/89/410918989.db2.gz QCVXONALBXRLLP-CABZTGNLSA-N 0 3 226.320 0.670 20 0 BCADHN CC(C)SCCN(CCO)CCCO ZINC000338315541 167323736 /nfs/dbraw/zinc/32/37/36/167323736.db2.gz NZXYYNWJRBFDAN-UHFFFAOYSA-N 0 3 221.366 0.805 20 0 BCADHN CC(C)[C@@H](C(=O)NCCCOCCO)N(C)C ZINC000357056707 167342243 /nfs/dbraw/zinc/34/22/43/167342243.db2.gz YPCNDLUMSZMTCO-NSHDSACASA-N 0 3 246.351 0.088 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC(O)C1)N1CCCCC1 ZINC000336309455 167342981 /nfs/dbraw/zinc/34/29/81/167342981.db2.gz VLXGKWDGZCYMKE-LBPRGKRZSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)[C@@H](C(=O)NCCc1ccon1)N(C)C 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C[C@H](C(N)=O)N1CCN(C2CCCC2)CC1 ZINC000045753872 411148922 /nfs/dbraw/zinc/14/89/22/411148922.db2.gz OEGVJIIXFIITIB-SNVBAGLBSA-N 0 3 225.336 0.420 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCN(CCN(C)C)C(=O)C1 ZINC000651891118 411149071 /nfs/dbraw/zinc/14/90/71/411149071.db2.gz IDBISTPIVBFLIZ-VXGBXAGGSA-N 0 3 239.363 0.348 20 0 BCADHN Cc1cnccc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651938666 411151554 /nfs/dbraw/zinc/15/15/54/411151554.db2.gz GCYUFEAHMYETKN-PHIMTYICSA-N 0 3 219.288 0.744 20 0 BCADHN Cc1nocc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651938665 411151769 /nfs/dbraw/zinc/15/17/69/411151769.db2.gz FQHRZRFWCUGOJC-OTSSQURYSA-N 0 3 209.249 0.337 20 0 BCADHN CCc1nocc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651938605 411152638 /nfs/dbraw/zinc/15/26/38/411152638.db2.gz CMCYHYVGBPGCSO-OTSSQURYSA-N 0 3 223.276 0.591 20 0 BCADHN Cc1ncccc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651940158 411153105 /nfs/dbraw/zinc/15/31/05/411153105.db2.gz ARDIZZSPQJHNNA-PHIMTYICSA-N 0 3 219.288 0.744 20 0 BCADHN 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CC1CC(NC(=O)N[C@@H](CN)C(F)(F)F)C1 ZINC000655918804 411158201 /nfs/dbraw/zinc/15/82/01/411158201.db2.gz DMFDXPVNCCAEDN-AHXFUIDQSA-N 0 3 239.241 0.974 20 0 BCADHN O[C@@]1(CCNCc2ccncc2F)CCOC1 ZINC000651944734 411158817 /nfs/dbraw/zinc/15/88/17/411158817.db2.gz CVHVSVCEYCPYEJ-LBPRGKRZSA-N 0 3 240.278 0.852 20 0 BCADHN C[C@@H](F)CCNC(=O)N[C@H](CN)C(F)(F)F ZINC000655925440 411159188 /nfs/dbraw/zinc/15/91/88/411159188.db2.gz BCQQSCAPAAUXPI-PHDIDXHHSA-N 0 3 245.220 0.923 20 0 BCADHN C[C@H](NC(=O)N[C@H](CN)C(F)(F)F)C1CC1 ZINC000655926987 411159865 /nfs/dbraw/zinc/15/98/65/411159865.db2.gz MDBWCZUEASQWAS-CAHLUQPWSA-N 0 3 239.241 0.974 20 0 BCADHN Cn1cncc1CNCC[C@@]1(O)CCCOC1 ZINC000652039360 411090555 /nfs/dbraw/zinc/09/05/55/411090555.db2.gz DFMGILFYRIWIMP-LBPRGKRZSA-N 0 3 239.319 0.441 20 0 BCADHN C[C@H]1CN(CCN2CCCC2=O)C[C@H](C)C1O ZINC000661627865 411101089 /nfs/dbraw/zinc/10/10/89/411101089.db2.gz CSMTWLSGUVOJTN-QWRGUYRKSA-N 0 3 240.347 0.558 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@](O)(C2CC2)C1 ZINC000661630429 411107967 /nfs/dbraw/zinc/10/79/67/411107967.db2.gz AATHKSLYYCVACD-CMPLNLGQSA-N 0 3 226.320 0.487 20 0 BCADHN CC(C)c1nnc(NC(=O)[C@@H]2C[C@@H]2N)s1 ZINC000331452441 167709658 /nfs/dbraw/zinc/70/96/58/167709658.db2.gz HBPHVSVEDSBDFS-RITPCOANSA-N 0 3 226.305 0.947 20 0 BCADHN O=C(Cc1cncc(O)c1)NCCN1CCCC1 ZINC000665531780 411110597 /nfs/dbraw/zinc/11/05/97/411110597.db2.gz NVAYCWPWUWQLEV-UHFFFAOYSA-N 0 3 249.314 0.542 20 0 BCADHN O=C(Cc1cncc([O-])c1)NCC[NH+]1CCCC1 ZINC000665531780 411110600 /nfs/dbraw/zinc/11/06/00/411110600.db2.gz NVAYCWPWUWQLEV-UHFFFAOYSA-N 0 3 249.314 0.542 20 0 BCADHN CCNC(=O)CN1CCC[C@](O)(C2CC2)C1 ZINC000661636772 411113131 /nfs/dbraw/zinc/11/31/31/411113131.db2.gz VCPQWWSKMQVGCW-GFCCVEGCSA-N 0 3 226.320 0.359 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCC(CCO)CC1 ZINC000401054584 411174941 /nfs/dbraw/zinc/17/49/41/411174941.db2.gz ZWPBHBBUVOOLFT-PWSUYJOCSA-N 0 3 242.363 0.981 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)C2(C)COC2)C1 ZINC000335983996 411242864 /nfs/dbraw/zinc/24/28/64/411242864.db2.gz VHNSIPRLIXZWRA-SNVBAGLBSA-N 0 3 226.320 0.576 20 0 BCADHN CO[C@@H](CN(CCO)CCO)C1CCCCC1 ZINC000659879293 411176483 /nfs/dbraw/zinc/17/64/83/411176483.db2.gz SYVDWIQLXCIITB-ZDUSSCGKSA-N 0 3 245.363 0.868 20 0 BCADHN CO[C@H](CN(C)CC(C)(CO)CO)C1CCC1 ZINC000660018354 411177292 /nfs/dbraw/zinc/17/72/92/411177292.db2.gz KMCDRDHXTPXQKX-GFCCVEGCSA-N 0 3 245.363 0.724 20 0 BCADHN Cc1ccc(CN2C[C@H](O)[C@@H](N(C)C)C2)cn1 ZINC000653684877 411178263 /nfs/dbraw/zinc/17/82/63/411178263.db2.gz FWZSVBZTKZWLIL-STQMWFEESA-N 0 3 235.331 0.497 20 0 BCADHN OC[C@@H]1CCCN1CCO[C@@H]1CC1(F)F ZINC000659880682 411180129 /nfs/dbraw/zinc/18/01/29/411180129.db2.gz RKKMALZXGJPNBB-DTWKUNHWSA-N 0 3 221.247 0.867 20 0 BCADHN O=C1NCC[C@@H]1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656130307 411184326 /nfs/dbraw/zinc/18/43/26/411184326.db2.gz SQIOVGAUDFRGPJ-GRYCIOLGSA-N 0 3 237.347 0.481 20 0 BCADHN COCCN(C)C[C@@H](O)CN1CC(C2CC2)C1 ZINC000656152601 411186935 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0 3 229.320 0.903 20 0 BCADHN C[C@@H](O)CN(C[C@@H]1CCC(=O)N1)C1CC1 ZINC000653902940 411218961 /nfs/dbraw/zinc/21/89/61/411218961.db2.gz AXNJTVWXLQXANN-BDAKNGLRSA-N 0 3 212.293 0.110 20 0 BCADHN Cc1ccoc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000656273654 411223873 /nfs/dbraw/zinc/22/38/73/411223873.db2.gz MNFBFEHXYXBTRR-NWDGAFQWSA-N 0 3 236.315 0.839 20 0 BCADHN C[C@H]1C[C@H]1CN1CCN(c2nncn2C)CC1 ZINC000656273066 411223895 /nfs/dbraw/zinc/22/38/95/411223895.db2.gz QPIQPWZHELWTHP-QWRGUYRKSA-N 0 3 235.335 0.593 20 0 BCADHN COCC(C)(C)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000656273423 411224030 /nfs/dbraw/zinc/22/40/30/411224030.db2.gz DWLIIZMCTJXIHU-NWDGAFQWSA-N 0 3 242.363 0.410 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCN(c2nncn2C)CC1 ZINC000656273064 411224097 /nfs/dbraw/zinc/22/40/97/411224097.db2.gz QPIQPWZHELWTHP-GHMZBOCLSA-N 0 3 235.335 0.593 20 0 BCADHN COC[C@@H](CNC1(C(N)=O)CCCCC1)OC ZINC000660095987 411230836 /nfs/dbraw/zinc/23/08/36/411230836.db2.gz PAOPLVZWZPQDRM-SNVBAGLBSA-N 0 3 244.335 0.426 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C(N)=O ZINC000422010390 411231378 /nfs/dbraw/zinc/23/13/78/411231378.db2.gz HQEQJOORDDYTFD-VHSXEESVSA-N 0 3 241.335 0.098 20 0 BCADHN CCN(CCOCCO)[C@H]1COC(C)(C)C1 ZINC000660478415 411232979 /nfs/dbraw/zinc/23/29/79/411232979.db2.gz BORPMVQDXXOWSW-LLVKDONJSA-N 0 3 231.336 0.885 20 0 BCADHN CC(C)(C)[C@@H](N)c1cn(CCCO)nn1 ZINC000656435223 411247621 /nfs/dbraw/zinc/24/76/21/411247621.db2.gz JPJNLPCKQJDDMW-VIFPVBQESA-N 0 3 212.297 0.706 20 0 BCADHN C[C@H](N)C(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000129160247 411233956 /nfs/dbraw/zinc/23/39/56/411233956.db2.gz FASLLCIEQOOABW-LURJTMIESA-N 0 3 210.281 0.993 20 0 BCADHN CNS(=O)(=O)[C@H]1CCN(CC2CC=CC2)C1 ZINC000660117743 411237264 /nfs/dbraw/zinc/23/72/64/411237264.db2.gz LKBRFPGHTCQEPS-NSHDSACASA-N 0 3 244.360 0.576 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN(CCC2CCC2)C1 ZINC000660118110 411237862 /nfs/dbraw/zinc/23/78/62/411237862.db2.gz PDHMHLCEMDZXBC-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN O=S1(=O)CCC[C@@H](N[C@H](CO)C2CCC2)C1 ZINC000658088228 411239766 /nfs/dbraw/zinc/23/97/66/411239766.db2.gz PWRZXCKOMMTVQR-GHMZBOCLSA-N 0 3 247.360 0.314 20 0 BCADHN O=S1(=O)CCC[C@H](N[C@@H](CO)C2CCC2)C1 ZINC000658088230 411240012 /nfs/dbraw/zinc/24/00/12/411240012.db2.gz PWRZXCKOMMTVQR-QWRGUYRKSA-N 0 3 247.360 0.314 20 0 BCADHN C[C@H]1CC[C@@H](NCC(=O)N(C)C)CS1 ZINC000655710898 411263278 /nfs/dbraw/zinc/26/32/78/411263278.db2.gz GVXUQRCMIKLVQY-DTWKUNHWSA-N 0 3 216.350 0.948 20 0 BCADHN CCC(=O)N1CC[C@H](NC(=O)[C@H](N)C(C)C)C1 ZINC000119470552 411263399 /nfs/dbraw/zinc/26/33/99/411263399.db2.gz JUWUYFRRNMBHOB-GXSJLCMTSA-N 0 3 241.335 0.097 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1ccc(N)nc1 ZINC000050699704 411265090 /nfs/dbraw/zinc/26/50/90/411265090.db2.gz PKGOOIBPIZWNHH-NSHDSACASA-N 0 3 248.330 0.878 20 0 BCADHN O=C1CC[C@@H](CN(CCO)Cc2ccccc2)N1 ZINC000114961291 411270221 /nfs/dbraw/zinc/27/02/21/411270221.db2.gz MNZWDYVPDQQDHH-ZDUSSCGKSA-N 0 3 248.326 0.760 20 0 BCADHN CCC[C@@H](N)c1cn(-c2cnnn2C)nn1 ZINC000656463314 411270437 /nfs/dbraw/zinc/27/04/37/411270437.db2.gz MNVSQUKOJPSKKZ-SSDOTTSWSA-N 0 3 221.268 0.196 20 0 BCADHN Cn1nncc1-n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000656462613 411270864 /nfs/dbraw/zinc/27/08/64/411270864.db2.gz HFMZERBWSUSQBD-SECBINFHSA-N 0 3 235.295 0.442 20 0 BCADHN C[C@@H]1CN(CCc2cn[nH]n2)[C@@H](C)CN1C ZINC000660163907 411273509 /nfs/dbraw/zinc/27/35/09/411273509.db2.gz BLYAIMLMKLLSCU-ZJUUUORDSA-N 0 3 223.324 0.372 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000515165142 411273638 /nfs/dbraw/zinc/27/36/38/411273638.db2.gz GGIYWTAJYKNKIE-WDEREUQCSA-N 0 3 243.270 0.553 20 0 BCADHN Cc1cccnc1CNCCC(=O)NC(N)=O ZINC000515165852 411273826 /nfs/dbraw/zinc/27/38/26/411273826.db2.gz LGTGXVXPVQVJDV-UHFFFAOYSA-N 0 3 236.275 0.065 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1CCc1cn[nH]n1 ZINC000660167465 411274914 /nfs/dbraw/zinc/27/49/14/411274914.db2.gz FCGZMQPGYVAEGU-VHSXEESVSA-N 0 3 223.324 0.372 20 0 BCADHN CCO[C@H]1C[C@H](N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000658163647 411276318 /nfs/dbraw/zinc/27/63/18/411276318.db2.gz RFVDUQRCTZIQFY-DCAQKATOSA-N 0 3 247.360 0.721 20 0 BCADHN CCO[C@H]1C[C@H](N[C@@H](C)CS(=O)(=O)CC)C1 ZINC000658165039 411277309 /nfs/dbraw/zinc/27/73/09/411277309.db2.gz ZIIFNXRKRDMSMR-DCAQKATOSA-N 0 3 249.376 0.967 20 0 BCADHN CC[C@](C)(N)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000656466507 411278079 /nfs/dbraw/zinc/27/80/79/411278079.db2.gz FBPGGHXXPKEDFW-KKZNHRDASA-N 0 3 240.307 0.448 20 0 BCADHN CC(C)CN1CCN(c2nncn2C)CC1 ZINC000653462184 411279101 /nfs/dbraw/zinc/27/91/01/411279101.db2.gz UNPYASNHAZLMKR-UHFFFAOYSA-N 0 3 223.324 0.593 20 0 BCADHN CCn1cc(CN[C@H](C)CCCCO)nn1 ZINC000658176427 411282582 /nfs/dbraw/zinc/28/25/82/411282582.db2.gz MLAXYPVOCZSSAH-SNVBAGLBSA-N 0 3 226.324 0.939 20 0 BCADHN CCN(C(=O)CNC1CC1)c1cnn(C)c1 ZINC000655521971 411287040 /nfs/dbraw/zinc/28/70/40/411287040.db2.gz MOIOOAWMZKVYIV-UHFFFAOYSA-N 0 3 222.292 0.525 20 0 BCADHN C[C@H]1C[C@@H](N=c2nc[nH]n2C)CN1C1CC1 ZINC000653468742 411288973 /nfs/dbraw/zinc/28/89/73/411288973.db2.gz DTQOKEINNIKVEJ-DTWKUNHWSA-N 0 3 221.308 0.274 20 0 BCADHN C[C@H]1C[C@H](N=c2nc[nH]n2C)CN1C1CC1 ZINC000653468743 411289002 /nfs/dbraw/zinc/28/90/02/411289002.db2.gz DTQOKEINNIKVEJ-IUCAKERBSA-N 0 3 221.308 0.274 20 0 BCADHN C/C=C/C[C@H](CO)NCc1cnn(C)c1 ZINC000185821991 411291707 /nfs/dbraw/zinc/29/17/07/411291707.db2.gz YSMDDTOKKGHYBF-PGLGOXFNSA-N 0 3 209.293 0.837 20 0 BCADHN Cn1[nH]cnc1=NC[C@H]1N(C)CCCC1(C)C ZINC000653470641 411292858 /nfs/dbraw/zinc/29/28/58/411292858.db2.gz KAEJEMPNMKMKFI-SNVBAGLBSA-N 0 3 237.351 0.769 20 0 BCADHN CNC(=O)[C@@H](NC[C@H](COC)OC)C(C)C ZINC000660196197 411294028 /nfs/dbraw/zinc/29/40/28/411294028.db2.gz HGMNFGZSZZBYMW-ZJUUUORDSA-N 0 3 232.324 0.008 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2(N)CCC2)[C@H](C)O1 ZINC000384529810 411295129 /nfs/dbraw/zinc/29/51/29/411295129.db2.gz CLNBBUVVOVMKCA-HRDYMLBCSA-N 0 3 212.293 0.550 20 0 BCADHN C[C@H]1CSCCN1C(=O)[C@@H]1NCC1(C)C ZINC000309851058 411295379 /nfs/dbraw/zinc/29/53/79/411295379.db2.gz XTAFZNMTLNROMD-IUCAKERBSA-N 0 3 228.361 0.948 20 0 BCADHN CC(C)CN1CCN(C[C@H]2CNC(=O)C2)CC1 ZINC000659809646 411298046 /nfs/dbraw/zinc/29/80/46/411298046.db2.gz HTMTXFWWXYMZBX-GFCCVEGCSA-N 0 3 239.363 0.396 20 0 BCADHN NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000656546110 411299973 /nfs/dbraw/zinc/29/99/73/411299973.db2.gz UPLZWMRTZRRIEZ-UHFFFAOYSA-N 0 3 248.330 0.962 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CNC(=O)C2)C[C@H](C)O1 ZINC000659814801 411301609 /nfs/dbraw/zinc/30/16/09/411301609.db2.gz VVJCXNLWALDTQZ-AEJSXWLSSA-N 0 3 212.293 0.232 20 0 BCADHN CC[C@@H]1CO[C@H](C)CN1C[C@@H]1CNC(=O)C1 ZINC000659841809 411330776 /nfs/dbraw/zinc/33/07/76/411330776.db2.gz UYOUVAPZYRJNOH-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1noc(CN(C)C(=O)[C@@H](N)C2CCC2)n1 ZINC000655527071 411306918 /nfs/dbraw/zinc/30/69/18/411306918.db2.gz IQDWZGKZGHBOHF-JTQLQIEISA-N 0 3 238.291 0.464 20 0 BCADHN Cc1noc(CN(C)C(=O)[C@H]2NCC2(C)C)n1 ZINC000655527017 411306957 /nfs/dbraw/zinc/30/69/57/411306957.db2.gz GZWUOPMRYJXERR-SECBINFHSA-N 0 3 238.291 0.334 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)Cc1nc(C)no1 ZINC000655527487 411307201 /nfs/dbraw/zinc/30/72/01/411307201.db2.gz UMMBNIHTUBSWEY-LLVKDONJSA-N 0 3 240.307 0.854 20 0 BCADHN CCN1CCN(C[C@]2(O)CCCOC2)C[C@@H]1C ZINC000656696642 411333346 /nfs/dbraw/zinc/33/33/46/411333346.db2.gz ISNUQJACVILAGE-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN O=c1cc2c(nn1C[C@@H]1CNCCO1)CCCC2 ZINC000656611470 411309700 /nfs/dbraw/zinc/30/97/00/411309700.db2.gz IWJIPUNYNWLBBK-NSHDSACASA-N 0 3 249.314 0.111 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1Cc1cnn(C)c1 ZINC000661772943 411310627 /nfs/dbraw/zinc/31/06/27/411310627.db2.gz WEQDBWJBSUHGMB-MWLCHTKSSA-N 0 3 209.293 0.765 20 0 BCADHN CCN1CC[C@@H](N2CCC[C@H](CO)C2)C1=O ZINC000659828521 411311354 /nfs/dbraw/zinc/31/13/54/411311354.db2.gz GZLOJRDYEJIQTG-WDEREUQCSA-N 0 3 226.320 0.312 20 0 BCADHN CCN(C)C(=O)CCN1CCC(=O)N(C)CC1 ZINC000661810084 411312917 /nfs/dbraw/zinc/31/29/17/411312917.db2.gz KOOKVEXSDAJCER-UHFFFAOYSA-N 0 3 241.335 0.019 20 0 BCADHN COC[C@@H](CN(CC(N)=O)CC(C)C)OC ZINC000659837987 411316955 /nfs/dbraw/zinc/31/69/55/411316955.db2.gz LLDPAOOCJHZPGX-SNVBAGLBSA-N 0 3 232.324 0.091 20 0 BCADHN O=C1CC[C@@H](CN[C@@H]2CCCn3nccc32)N1 ZINC000658257426 411317114 /nfs/dbraw/zinc/31/71/14/411317114.db2.gz NDBWWQMGHPBHQO-VHSXEESVSA-N 0 3 234.303 0.586 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC000658257649 411317155 /nfs/dbraw/zinc/31/71/55/411317155.db2.gz ZCKKJAKTTCIHBL-KXUCPTDWSA-N 0 3 247.360 0.313 20 0 BCADHN Cc1ncncc1[C@@H](C)NC[C@@H]1CCC(=O)N1 ZINC000658258242 411317871 /nfs/dbraw/zinc/31/78/71/411317871.db2.gz ZSMKFPIKEPHSJL-SCZZXKLOSA-N 0 3 234.303 0.714 20 0 BCADHN CN(C)C(=O)CN1CCCCC[C@H]1CO ZINC000124790366 411320967 /nfs/dbraw/zinc/32/09/67/411320967.db2.gz YNBFVGBHQAZQIP-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN COC[C@H]1CCN1C[C@]1(O)CCCOC1 ZINC000656700099 411324880 /nfs/dbraw/zinc/32/48/80/411324880.db2.gz KYXISAHWIKMSKU-GHMZBOCLSA-N 0 3 215.293 0.249 20 0 BCADHN CCN(C(=O)CNC(=O)[C@H](N)C(C)C)C(C)C ZINC000336711248 411332900 /nfs/dbraw/zinc/33/29/00/411332900.db2.gz LWROLURXQJQMDO-LLVKDONJSA-N 0 3 243.351 0.343 20 0 BCADHN CCS(=O)(=O)C1(CN[C@H](C)[C@@H](C)OC)CC1 ZINC000658298373 411325541 /nfs/dbraw/zinc/32/55/41/411325541.db2.gz FQWWEZWZWKVUFR-NXEZZACHSA-N 0 3 249.376 0.967 20 0 BCADHN CCCNC(=O)CN1CCCCC[C@@H]1CO ZINC000124852963 411325690 /nfs/dbraw/zinc/32/56/90/411325690.db2.gz MJVHZWKSDJPORP-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN CC(C)=CCCN1CC[C@@H](S(N)(=O)=O)C1 ZINC000660128982 411249553 /nfs/dbraw/zinc/24/95/53/411249553.db2.gz QZKUVYDOOCVVFU-SNVBAGLBSA-N 0 3 232.349 0.706 20 0 BCADHN NC(=O)CN(CCc1cn[nH]c1)C1CCCC1 ZINC000656432655 411250131 /nfs/dbraw/zinc/25/01/31/411250131.db2.gz ZLDXJQYAMMNAFF-UHFFFAOYSA-N 0 3 236.319 0.682 20 0 BCADHN c1nc(Cn2cc(CNC3CCCC3)nn2)no1 ZINC000656445507 411253572 /nfs/dbraw/zinc/25/35/72/411253572.db2.gz KOLUJGXGIBZDAP-UHFFFAOYSA-N 0 3 248.290 0.742 20 0 BCADHN CCN(CC)C(=O)C[C@@H](C)NC/C=C/CO ZINC000658132434 411256176 /nfs/dbraw/zinc/25/61/76/411256176.db2.gz LPTGPARTKFHBNR-XUIVZRPNSA-N 0 3 228.336 0.772 20 0 BCADHN CC(C)(N)c1cn(-c2nccs2)nn1 ZINC000656440791 411258660 /nfs/dbraw/zinc/25/86/60/411258660.db2.gz ZYJPYGZKAITEOK-UHFFFAOYSA-N 0 3 209.278 0.918 20 0 BCADHN COCC1(NCc2cn[nH]c2)CCOCC1 ZINC000309823363 411260625 /nfs/dbraw/zinc/26/06/25/411260625.db2.gz GUMFFODORIMSEV-UHFFFAOYSA-N 0 3 225.292 0.695 20 0 BCADHN O=C1CCCN1CCN1CC[C@@H]2COC[C@H]2C1 ZINC000662032840 411350077 /nfs/dbraw/zinc/35/00/77/411350077.db2.gz FUGIKCRGSGKOMK-VXGBXAGGSA-N 0 3 238.331 0.577 20 0 BCADHN c1n[nH]cc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000662033758 411350253 /nfs/dbraw/zinc/35/02/53/411350253.db2.gz LCJSLFSMJLSVQW-GHMZBOCLSA-N 0 3 207.277 0.878 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCC2(COC2)C1 ZINC000662074935 411357310 /nfs/dbraw/zinc/35/73/10/411357310.db2.gz UBNYOZOXQZTVQO-JTQLQIEISA-N 0 3 213.277 0.049 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H](C)N)[C@@H](C)CO1 ZINC000403742970 411357857 /nfs/dbraw/zinc/35/78/57/411357857.db2.gz KCHNQUGPBCOFEO-YIZRAAEISA-N 0 3 200.282 0.360 20 0 BCADHN CCN1CC[C@H](N2CCC[C@H](N(C)C)C2)C1=O ZINC000659874641 411358295 /nfs/dbraw/zinc/35/82/95/411358295.db2.gz SLKBNJJEFIIQEJ-RYUDHWBXSA-N 0 3 239.363 0.633 20 0 BCADHN CC(C)NCC(=O)N[C@@H](C)COCC1CC1 ZINC000659328905 411358325 /nfs/dbraw/zinc/35/83/25/411358325.db2.gz QYORLADYHAGKHP-JTQLQIEISA-N 0 3 228.336 0.916 20 0 BCADHN Nc1cccc(CNC(=O)CNC2CC2)c1 ZINC000659333095 411362232 /nfs/dbraw/zinc/36/22/32/411362232.db2.gz MVJQFPDWTNJJIG-UHFFFAOYSA-N 0 3 219.288 0.637 20 0 BCADHN CC[C@@H](COCC1CC1)NC(=O)C1(N)CC1 ZINC000659335636 411363454 /nfs/dbraw/zinc/36/34/54/411363454.db2.gz MTTXGFHKYJFLHE-JTQLQIEISA-N 0 3 226.320 0.799 20 0 BCADHN COC[C@@H](C(N)=O)N(C)CC1CC=CC1 ZINC000660636935 411363633 /nfs/dbraw/zinc/36/36/33/411363633.db2.gz WDJMKIJDDWKCLV-JTQLQIEISA-N 0 3 212.293 0.385 20 0 BCADHN CC(C)(N)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000658954717 411363800 /nfs/dbraw/zinc/36/38/00/411363800.db2.gz UQKYFCKOOABSFQ-LDYMZIIASA-N 0 3 212.293 0.219 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000658942106 411363959 /nfs/dbraw/zinc/36/39/59/411363959.db2.gz MRAYFNABTLOWSU-WCFLWFBJSA-N 0 3 240.347 0.855 20 0 BCADHN C[C@@H]1CN(CCN2CCCC2=O)C[C@@]1(C)CO ZINC000662136356 411364679 /nfs/dbraw/zinc/36/46/79/411364679.db2.gz SRXOLMAHABTKLZ-YPMHNXCESA-N 0 3 240.347 0.559 20 0 BCADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@]1(C)CO ZINC000662135287 411364736 /nfs/dbraw/zinc/36/47/36/411364736.db2.gz LAMIANLZGRRXHH-DGCLKSJQSA-N 0 3 240.347 0.559 20 0 BCADHN CC[C@@H]1CN(C(=O)CN)[C@H](CC)CO1 ZINC000403899941 411365239 /nfs/dbraw/zinc/36/52/39/411365239.db2.gz ZJUTWHXXJJGJCN-RKDXNWHRSA-N 0 3 200.282 0.361 20 0 BCADHN CC[C@H]1CN(C(=O)CN)[C@@H](CC)CO1 ZINC000403899939 411365477 /nfs/dbraw/zinc/36/54/77/411365477.db2.gz ZJUTWHXXJJGJCN-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN CC[C@@H]1CO[C@@H](CC)CN1C(=O)CN ZINC000403899935 411365584 /nfs/dbraw/zinc/36/55/84/411365584.db2.gz ZJUTWHXXJJGJCN-BDAKNGLRSA-N 0 3 200.282 0.361 20 0 BCADHN O=C(CCOC1CNC1)N[C@@]12C[C@@H]1CCC2 ZINC000659338068 411365648 /nfs/dbraw/zinc/36/56/48/411365648.db2.gz UCEFRQCYJADUBF-CABZTGNLSA-N 0 3 224.304 0.424 20 0 BCADHN N[C@@H]1CN(C(=O)Nc2ccncn2)CC[C@H]1F ZINC000659010385 411367608 /nfs/dbraw/zinc/36/76/08/411367608.db2.gz UXPUZNJIFCLLNK-HTQZYQBOSA-N 0 3 239.254 0.380 20 0 BCADHN COCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654306084 411369062 /nfs/dbraw/zinc/36/90/62/411369062.db2.gz GNSKMLJEXWWDQW-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@H]1CN(CC2(CO)COC2)[C@@H](CC)CO1 ZINC000403952650 411369455 /nfs/dbraw/zinc/36/94/55/411369455.db2.gz PTBRNMWTHAXUBS-RYUDHWBXSA-N 0 3 243.347 0.885 20 0 BCADHN COCC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654306082 411369497 /nfs/dbraw/zinc/36/94/97/411369497.db2.gz GNSKMLJEXWWDQW-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN COC[C@H](O)CN1CC(COC)(C2CCC2)C1 ZINC000656706387 411334279 /nfs/dbraw/zinc/33/42/79/411334279.db2.gz OZXUZPPNFJGIJI-GFCCVEGCSA-N 0 3 243.347 0.742 20 0 BCADHN O[C@H](CNCCO[C@H]1CC1(F)F)C(F)(F)F ZINC000656708946 411336291 /nfs/dbraw/zinc/33/62/91/411336291.db2.gz RJRLYCVQQODPLW-RITPCOANSA-N 0 3 249.179 0.923 20 0 BCADHN CC1(OCC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)CNC1 ZINC000403263475 411339429 /nfs/dbraw/zinc/33/94/29/411339429.db2.gz YOMIPDFAKQDAEK-GARJFASQSA-N 0 3 238.331 0.670 20 0 BCADHN COCCC1CN(C[C@H](O)Cn2cccn2)C1 ZINC000656703200 411340215 /nfs/dbraw/zinc/34/02/15/411340215.db2.gz OYPLIXSZBAOWIY-LBPRGKRZSA-N 0 3 239.319 0.212 20 0 BCADHN Cc1cc(CN[C@@H]2COC[C@@H]2O)cc(C)c1O ZINC000323551495 411343687 /nfs/dbraw/zinc/34/36/87/411343687.db2.gz OTGAIKHBRTYJGX-NEPJUHHUSA-N 0 3 237.299 0.858 20 0 BCADHN CC1(CN(CCO)Cc2cccnc2)COC1 ZINC000336704642 168023262 /nfs/dbraw/zinc/02/32/62/168023262.db2.gz NGANFIMZCMUMEC-UHFFFAOYSA-N 0 3 236.315 0.912 20 0 BCADHN CC1(CN2CCC(F)(F)[C@@H](CO)C2)COC1 ZINC000361414390 168024371 /nfs/dbraw/zinc/02/43/71/168024371.db2.gz JGVSBPYTZUUEHF-SECBINFHSA-N 0 3 235.274 0.972 20 0 BCADHN CC1(CN2CCC[C@@H](n3cncn3)C2)COC1 ZINC000336706786 168024431 /nfs/dbraw/zinc/02/44/31/168024431.db2.gz OHOLYHPNVXBCFF-LLVKDONJSA-N 0 3 236.319 0.952 20 0 BCADHN CC1(CNC(=O)NC[C@H]2CNCCO2)CCC1 ZINC000333645674 168031931 /nfs/dbraw/zinc/03/19/31/168031931.db2.gz VAGPHMONTVXREW-SNVBAGLBSA-N 0 3 241.335 0.464 20 0 BCADHN CC1(CNC(=O)[C@H](N)Cc2ccccc2)COC1 ZINC000094722435 168035545 /nfs/dbraw/zinc/03/55/45/168035545.db2.gz UGZURPMIXMTZOE-GFCCVEGCSA-N 0 3 248.326 0.709 20 0 BCADHN CC1(CNCC(=O)NCc2ccco2)COC1 ZINC000352770517 168040352 /nfs/dbraw/zinc/04/03/52/168040352.db2.gz KPZPMUAGXMDHPP-UHFFFAOYSA-N 0 3 238.287 0.522 20 0 BCADHN NCc1cccc(NC(=O)[C@H]2CCC(=O)N2)c1 ZINC000063190987 411347998 /nfs/dbraw/zinc/34/79/98/411347998.db2.gz NRZKSPYZUOZEBL-SNVBAGLBSA-N 0 3 233.271 0.362 20 0 BCADHN Cc1ncncc1[C@H](C)N[C@H]1C[C@H](O)C1 ZINC000658347763 411348008 /nfs/dbraw/zinc/34/80/08/411348008.db2.gz HATNLVCGCDMYOI-GUBZILKMSA-N 0 3 207.277 0.959 20 0 BCADHN c1nc(CN2CC[C@H]3COC[C@H]3C2)c[nH]1 ZINC000662029542 411349078 /nfs/dbraw/zinc/34/90/78/411349078.db2.gz AVVDNTOWHXXORD-VHSXEESVSA-N 0 3 207.277 0.878 20 0 BCADHN c1ncc(CN2CC[C@H]3COC[C@H]3C2)[nH]1 ZINC000662029542 411349083 /nfs/dbraw/zinc/34/90/83/411349083.db2.gz AVVDNTOWHXXORD-VHSXEESVSA-N 0 3 207.277 0.878 20 0 BCADHN CC1(O)CCN([C@H]2CCCNC2=O)CC1 ZINC000336647417 168066486 /nfs/dbraw/zinc/06/64/86/168066486.db2.gz MMFCOBNUYDKXPY-VIFPVBQESA-N 0 3 212.293 0.112 20 0 BCADHN CC1=C(C(=O)NCCN(C)C)SCCO1 ZINC000280776891 168077005 /nfs/dbraw/zinc/07/70/05/168077005.db2.gz NMIJFNBFGUTOKJ-UHFFFAOYSA-N 0 3 230.333 0.659 20 0 BCADHN CC1=C(C(=O)NC[C@@]2(O)CCN(C)C2)CCC1 ZINC000336493142 168078183 /nfs/dbraw/zinc/07/81/83/168078183.db2.gz ALDRBJUOESYUTP-ZDUSSCGKSA-N 0 3 238.331 0.670 20 0 BCADHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000658411421 411378122 /nfs/dbraw/zinc/37/81/22/411378122.db2.gz ORSDWMMFFDIMOY-ZCFIWIBFSA-N 0 3 249.361 0.338 20 0 BCADHN CC1=CCN(CCCS(N)(=O)=O)CC1 ZINC000336675917 168109776 /nfs/dbraw/zinc/10/97/76/168109776.db2.gz WUQWTLPSCJITKI-UHFFFAOYSA-N 0 3 218.322 0.317 20 0 BCADHN COC[C@H](CN(C)[C@@H]1CCOC1)OC ZINC000659908818 411380182 /nfs/dbraw/zinc/38/01/82/411380182.db2.gz SIXWPAVUKOJBKL-ZJUUUORDSA-N 0 3 203.282 0.369 20 0 BCADHN CC1=CCN(C[C@@H](O)Cn2cccn2)CC1 ZINC000270388637 168115488 /nfs/dbraw/zinc/11/54/88/168115488.db2.gz XQFNQLFIVHCZES-GFCCVEGCSA-N 0 3 221.304 0.896 20 0 BCADHN Cn1cncc1CNCC[C@]1(O)CCOC1 ZINC000404190062 411380719 /nfs/dbraw/zinc/38/07/19/411380719.db2.gz KPGAUDZDDRTUJH-NSHDSACASA-N 0 3 225.292 0.051 20 0 BCADHN CC1CCN(CC(=O)N2CC[C@@H](CO)C2)CC1 ZINC000305713923 168177534 /nfs/dbraw/zinc/17/75/34/168177534.db2.gz SVOMGWCGNQAYSC-GFCCVEGCSA-N 0 3 240.347 0.559 20 0 BCADHN CC1CCN(CCN(C)[C@H]2COC[C@H]2O)CC1 ZINC000352801678 168178994 /nfs/dbraw/zinc/17/89/94/168178994.db2.gz TXXOJUCYDYRBEH-QWHCGFSZSA-N 0 3 242.363 0.410 20 0 BCADHN CC1CCN(CCN2CCC[C@H]2C(N)=O)CC1 ZINC000340827498 168180001 /nfs/dbraw/zinc/18/00/01/168180001.db2.gz UUIJLLXTKGGNGJ-LBPRGKRZSA-N 0 3 239.363 0.668 20 0 BCADHN CC1CCN(C[C@@H](O)CNC(=O)C2CC2)CC1 ZINC000304003327 168183461 /nfs/dbraw/zinc/18/34/61/168183461.db2.gz RWKWWWISAQXWMV-LBPRGKRZSA-N 0 3 240.347 0.605 20 0 BCADHN CCC(=O)CNC(=O)[C@H]1CN(C)C[C@H]1C ZINC000362995975 168207834 /nfs/dbraw/zinc/20/78/34/168207834.db2.gz GMLIKIQLYXDCOK-SCZZXKLOSA-N 0 3 212.293 0.279 20 0 BCADHN CCC(=O)N(CCOC)CCN(C)C ZINC000355240302 168213718 /nfs/dbraw/zinc/21/37/18/168213718.db2.gz QMAQUXKRTHYURM-UHFFFAOYSA-N 0 3 202.298 0.433 20 0 BCADHN CCC(=O)N1CCCN([C@H](C)COC)CC1 ZINC000369829399 168216409 /nfs/dbraw/zinc/21/64/09/168216409.db2.gz KPGJNJIIJMOSSQ-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN Cc1n[nH]cc1CNCC[C@]1(O)CCOC1 ZINC000404193697 411382145 /nfs/dbraw/zinc/38/21/45/411382145.db2.gz LXSZZVWKJRVOHD-NSHDSACASA-N 0 3 225.292 0.349 20 0 BCADHN CCC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000042578728 168229711 /nfs/dbraw/zinc/22/97/11/168229711.db2.gz WAVSONOXFLSWAA-LBPRGKRZSA-N 0 3 241.379 0.785 20 0 BCADHN CC(C)NCC(=O)Nc1ccnc2ccnn21 ZINC000659259781 411383623 /nfs/dbraw/zinc/38/36/23/411383623.db2.gz WDUUZNFTBVFGBY-UHFFFAOYSA-N 0 3 233.275 0.666 20 0 BCADHN C[C@H](NCC[C@]1(O)CCOC1)c1ccnn1C ZINC000404228991 411383704 /nfs/dbraw/zinc/38/37/04/411383704.db2.gz NOARNKMGVHNVDE-JQWIXIFHSA-N 0 3 239.319 0.612 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000659362651 411384294 /nfs/dbraw/zinc/38/42/94/411384294.db2.gz SVIFFWYWVNFCAN-YIZRAAEISA-N 0 3 200.282 0.407 20 0 BCADHN C[C@H](NCC[C@@]1(O)CCOC1)c1ccnn1C ZINC000404228987 411384423 /nfs/dbraw/zinc/38/44/23/411384423.db2.gz NOARNKMGVHNVDE-CMPLNLGQSA-N 0 3 239.319 0.612 20 0 BCADHN COCCOC[C@H](C)NC(=O)CNC(C)C ZINC000659268883 411385416 /nfs/dbraw/zinc/38/54/16/411385416.db2.gz TZARIQVDQKGIDY-JTQLQIEISA-N 0 3 232.324 0.152 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000659369839 411385782 /nfs/dbraw/zinc/38/57/82/411385782.db2.gz PYRBEACXNQWTMI-BREBYQMCSA-N 0 3 238.331 0.479 20 0 BCADHN CCC(C)(C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358046371 168265491 /nfs/dbraw/zinc/26/54/91/168265491.db2.gz KVUFRHMKNDEGDM-LBPRGKRZSA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)NCC(=O)NCC(=O)NC1CCCC1 ZINC000659280541 411387052 /nfs/dbraw/zinc/38/70/52/411387052.db2.gz IVYVOIXSUCFBGY-UHFFFAOYSA-N 0 3 241.335 0.159 20 0 BCADHN CCC(C)(C)N(C)CC(=O)N1CCN(C)CC1 ZINC000357387342 168285982 /nfs/dbraw/zinc/28/59/82/168285982.db2.gz GDVBRGCYWSCDGE-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CC(=O)NCCCNCc1nc(C)c[nH]1 ZINC000657299714 411455104 /nfs/dbraw/zinc/45/51/04/411455104.db2.gz YJYGMYZSRQBNBK-UHFFFAOYSA-N 0 3 210.281 0.334 20 0 BCADHN CCC(C)(C)NS(=O)(=O)[C@H]1CCCNC1 ZINC000019434872 168299790 /nfs/dbraw/zinc/29/97/90/168299790.db2.gz PKYCHGVEKDCLDX-VIFPVBQESA-N 0 3 234.365 0.846 20 0 BCADHN O=C1CCCN1CCN1CCC[C@@H]2COC[C@@H]21 ZINC000657303756 411456342 /nfs/dbraw/zinc/45/63/42/411456342.db2.gz DOCFSQNBWKBAAT-NEPJUHHUSA-N 0 3 238.331 0.720 20 0 BCADHN c1c(CNC[C@@H]2CCOC2)nn2c1CCC2 ZINC000657308816 411457688 /nfs/dbraw/zinc/45/76/88/411457688.db2.gz CGWPRESZCATZQC-JTQLQIEISA-N 0 3 221.304 0.955 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H]2CCCCNC2=O)CO1 ZINC000657306014 411458392 /nfs/dbraw/zinc/45/83/92/411458392.db2.gz PPWLGFZHIZIGSE-HBNTYKKESA-N 0 3 226.320 0.812 20 0 BCADHN O=C(CCOC1CNC1)NCC1=CCCC1 ZINC000659379615 411393673 /nfs/dbraw/zinc/39/36/73/411393673.db2.gz KHGUXZYYBMIPRL-UHFFFAOYSA-N 0 3 224.304 0.591 20 0 BCADHN Cc1nnc(NC(=O)CNC(C)C)n1C ZINC000659320082 411393865 /nfs/dbraw/zinc/39/38/65/411393865.db2.gz CERMGUCJNFOJPL-UHFFFAOYSA-N 0 3 211.269 0.060 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)c1ccc(F)s1 ZINC000659322863 411394832 /nfs/dbraw/zinc/39/48/32/411394832.db2.gz UFGJMERSEQBBCN-ZETCQYMHSA-N 0 3 244.291 0.605 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N1CCN(CCN(C)C)CC1 ZINC000055197379 411395820 /nfs/dbraw/zinc/39/58/20/411395820.db2.gz KGQHKQGHSQQBSO-VXGBXAGGSA-N 0 3 239.363 0.348 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000659334278 411396945 /nfs/dbraw/zinc/39/69/45/411396945.db2.gz ITDWQXYQHFKRBF-GARJFASQSA-N 0 3 238.331 0.764 20 0 BCADHN O=C(CNC1CC1)N1CCC[C@@H]2OCC[C@@H]21 ZINC000659335275 411397577 /nfs/dbraw/zinc/39/75/77/411397577.db2.gz XPTQLJNJWVEYRY-QWRGUYRKSA-N 0 3 224.304 0.518 20 0 BCADHN COCC1(N(C)C(=O)CCOC2CNC2)CC1 ZINC000659338939 411398438 /nfs/dbraw/zinc/39/84/38/411398438.db2.gz SMBCCLWHMSZZQM-UHFFFAOYSA-N 0 3 242.319 0.002 20 0 BCADHN CC[C@H](COCC1CC1)NC(=O)[C@H](C)N ZINC000659338043 411398810 /nfs/dbraw/zinc/39/88/10/411398810.db2.gz ZEBDZSQYGNXTSM-WCBMZHEXSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000659338805 411398988 /nfs/dbraw/zinc/39/89/88/411398988.db2.gz RKDGWAGWMXHVJP-WPRPVWTQSA-N 0 3 247.298 0.038 20 0 BCADHN CN(C)CCn1ccc(C(=O)NC2CC=CC2)n1 ZINC000654895432 411461175 /nfs/dbraw/zinc/46/11/75/411461175.db2.gz RGDMTDUUNASTNK-UHFFFAOYSA-N 0 3 248.330 0.893 20 0 BCADHN CC[C@@H](C)CCNC(=O)CNCCOC ZINC000659340595 411400127 /nfs/dbraw/zinc/40/01/27/411400127.db2.gz MIZMQXVCAUNXBV-SNVBAGLBSA-N 0 3 216.325 0.775 20 0 BCADHN C[C@@]12COC[C@]1(C)CN(C(=O)CNC1CC1)C2 ZINC000659343656 411400851 /nfs/dbraw/zinc/40/08/51/411400851.db2.gz UTYLCSZODZOIMN-BETUJISGSA-N 0 3 238.331 0.623 20 0 BCADHN COCc1csc(CNC(=O)[C@H](C)N)c1 ZINC000659359429 411401997 /nfs/dbraw/zinc/40/19/97/411401997.db2.gz RDQFRSPZRHAJOQ-ZETCQYMHSA-N 0 3 228.317 0.858 20 0 BCADHN CC(C)NCC(=O)NCCc1ccoc1 ZINC000659360354 411402711 /nfs/dbraw/zinc/40/27/11/411402711.db2.gz HLSDYKWMPWGAGQ-UHFFFAOYSA-N 0 3 210.277 0.936 20 0 BCADHN COc1ccnc(CNC(=O)C2(N)CC2)c1F ZINC000659361142 411403387 /nfs/dbraw/zinc/40/33/87/411403387.db2.gz MHZOTUVHHXBCMK-UHFFFAOYSA-N 0 3 239.250 0.337 20 0 BCADHN CNCC(=O)Nc1cccc2c1CCN(C)C2=O ZINC000659367855 411404678 /nfs/dbraw/zinc/40/46/78/411404678.db2.gz KLBFITBNQJRICP-UHFFFAOYSA-N 0 3 247.298 0.473 20 0 BCADHN CNCC(=O)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC000659379899 411406676 /nfs/dbraw/zinc/40/66/76/411406676.db2.gz SCEOXBLKIQIJFK-CYBMUJFWSA-N 0 3 247.342 0.943 20 0 BCADHN CNCC(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000659380663 411407295 /nfs/dbraw/zinc/40/72/95/411407295.db2.gz DWDPIJOZENCVEI-LURJTMIESA-N 0 3 206.236 0.613 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@@H]1CCO)N(C)C ZINC000413703478 411407962 /nfs/dbraw/zinc/40/79/62/411407962.db2.gz QFIKJNAZNWGUFA-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN COCC1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CCC1 ZINC000659386627 411408586 /nfs/dbraw/zinc/40/85/86/411408586.db2.gz DLQLVDODFYYPRZ-NXEZZACHSA-N 0 3 244.310 0.701 20 0 BCADHN COC[C@@H](C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC000654535733 411408748 /nfs/dbraw/zinc/40/87/48/411408748.db2.gz XMESIMUONYKLHF-GHMZBOCLSA-N 0 3 228.336 0.822 20 0 BCADHN COC[C@@H](C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC000654535736 411408964 /nfs/dbraw/zinc/40/89/64/411408964.db2.gz XMESIMUONYKLHF-WDEREUQCSA-N 0 3 228.336 0.822 20 0 BCADHN CCn1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cn1 ZINC000659389849 411409647 /nfs/dbraw/zinc/40/96/47/411409647.db2.gz RWWJCWQPZLWJPO-NXEZZACHSA-N 0 3 240.282 0.414 20 0 BCADHN C[C@@H]1C[C@@H](C)[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)O1 ZINC000659388884 411410252 /nfs/dbraw/zinc/41/02/52/411410252.db2.gz NNUPEYBEEOEIHQ-ILAIQSSSSA-N 0 3 244.310 0.698 20 0 BCADHN N[C@@H]1CN(C(=O)COC2CCCC2)CC[C@H]1F ZINC000659388769 411410410 /nfs/dbraw/zinc/41/04/10/411410410.db2.gz DIHJROQYBUMWMD-GHMZBOCLSA-N 0 3 244.310 0.843 20 0 BCADHN CCO[C@H](CC)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388611 411410540 /nfs/dbraw/zinc/41/05/40/411410540.db2.gz CAWYHIHPKOUTKR-OPRDCNLKSA-N 0 3 232.299 0.699 20 0 BCADHN CC1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CCOCC1 ZINC000659391128 411411796 /nfs/dbraw/zinc/41/17/96/411411796.db2.gz PVELATPJPFSQSL-NXEZZACHSA-N 0 3 244.310 0.701 20 0 BCADHN CCN(CCOC)C(=O)NC[C@H]1CCCN1C ZINC000339934625 169862020 /nfs/dbraw/zinc/86/20/20/169862020.db2.gz WGAGUTJZFHIITH-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN C[C@H](OCC1CC1)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659391890 411411851 /nfs/dbraw/zinc/41/18/51/411411851.db2.gz LKAPMQXUJJUBKY-JMJZKYOTSA-N 0 3 244.310 0.699 20 0 BCADHN N[C@@H]1CN(C(=O)NCc2ccco2)CC[C@H]1F ZINC000659424692 411412633 /nfs/dbraw/zinc/41/26/33/411412633.db2.gz YKTXLWHIJZIPFW-NXEZZACHSA-N 0 3 241.266 0.860 20 0 BCADHN C[C@H]1C[C@H]1CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659438126 411414320 /nfs/dbraw/zinc/41/43/20/411414320.db2.gz XAYRRZXIWQUWSB-AXTSPUMRSA-N 0 3 229.299 0.723 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCc2cnn(C)c2)C1 ZINC000654584998 411414595 /nfs/dbraw/zinc/41/45/95/411414595.db2.gz WQQYMLHXTYGGMF-SNVBAGLBSA-N 0 3 236.319 0.378 20 0 BCADHN CC1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)COC1 ZINC000659454227 411416210 /nfs/dbraw/zinc/41/62/10/411416210.db2.gz DLBNSQSVOXJNRC-RKDXNWHRSA-N 0 3 245.298 0.104 20 0 BCADHN CO[C@H](C)CCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659447661 411416383 /nfs/dbraw/zinc/41/63/83/411416383.db2.gz GQPFRJZSHXOIQA-OPRDCNLKSA-N 0 3 247.314 0.492 20 0 BCADHN C[C@H]1CN(Cc2cccc(N)c2)CCN1CCO ZINC000660331560 411418671 /nfs/dbraw/zinc/41/86/71/411418671.db2.gz AXNXESIXXDYHLJ-LBPRGKRZSA-N 0 3 249.358 0.767 20 0 BCADHN N[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)CC[C@H]1F ZINC000659487176 411420085 /nfs/dbraw/zinc/42/00/85/411420085.db2.gz ZCKZAZQFOOTDKV-RCZSTQMZSA-N 0 3 241.310 0.866 20 0 BCADHN O[C@@H]1C[C@H]2CN(Cc3cccnc3)CCN2C1 ZINC000405236899 411421593 /nfs/dbraw/zinc/42/15/93/411421593.db2.gz FETQQEQKNVCEIV-QWHCGFSZSA-N 0 3 233.315 0.332 20 0 BCADHN O=C1NCC[C@H]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000653562389 411421640 /nfs/dbraw/zinc/42/16/40/411421640.db2.gz TUQRXEBZPHUYQP-GARJFASQSA-N 0 3 224.304 0.376 20 0 BCADHN O[C@@H]1C[C@H]2CN(Cc3ccccn3)CCN2C1 ZINC000405262275 411422185 /nfs/dbraw/zinc/42/21/85/411422185.db2.gz PKKMYKUGOYGRHR-QWHCGFSZSA-N 0 3 233.315 0.332 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1ccc[nH]c1=O ZINC000654660612 411423893 /nfs/dbraw/zinc/42/38/93/411423893.db2.gz QEEJGIZBLOVFLZ-UHFFFAOYSA-N 0 3 237.303 0.857 20 0 BCADHN CC(C)=CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405302612 411423956 /nfs/dbraw/zinc/42/39/56/411423956.db2.gz KGWBZCZPYQGJIP-NWDGAFQWSA-N 0 3 210.321 0.703 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1ccn(C)n1 ZINC000654659095 411423996 /nfs/dbraw/zinc/42/39/96/411423996.db2.gz KPSFDNWMMWDVFG-UHFFFAOYSA-N 0 3 224.308 0.490 20 0 BCADHN O[C@@H]1C[C@H]2CN(CC[C@H]3CCOC3)CCN2C1 ZINC000405336051 411424989 /nfs/dbraw/zinc/42/49/89/411424989.db2.gz ZJOPWGFGSWQAJX-RWMBFGLXSA-N 0 3 240.347 0.164 20 0 BCADHN Cn1cc(CCNCc2cc3n(n2)CCC3)cn1 ZINC000657317932 411462857 /nfs/dbraw/zinc/46/28/57/411462857.db2.gz IXDJIJCGKLPKJX-UHFFFAOYSA-N 0 3 245.330 0.895 20 0 BCADHN O[C@@H]1C[C@H]2CN(CC3=CCCC3)CCN2C1 ZINC000405483220 411431658 /nfs/dbraw/zinc/43/16/58/411431658.db2.gz NNGKRUYTZOYBGN-QWHCGFSZSA-N 0 3 222.332 0.848 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCC(F)(F)F ZINC000306947281 411462975 /nfs/dbraw/zinc/46/29/75/411462975.db2.gz PBPSDHZDVVWJIS-RXMQYKEDSA-N 0 3 210.199 0.663 20 0 BCADHN CC[C@@](C)(CO)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000654701404 411432992 /nfs/dbraw/zinc/43/29/92/411432992.db2.gz YYLVBCBZJCNDCH-GWCFXTLKSA-N 0 3 242.363 0.994 20 0 BCADHN CCC[C@H](N)C(=O)NCCNc1ccccn1 ZINC000272385130 411433576 /nfs/dbraw/zinc/43/35/76/411433576.db2.gz WYGDQGJDQUKWOD-JTQLQIEISA-N 0 3 236.319 0.737 20 0 BCADHN Cc1cc(C(=O)N2CCN3CC[C@H]2C3)ns1 ZINC000615572125 411435917 /nfs/dbraw/zinc/43/59/17/411435917.db2.gz UEBBRDROYGGQFN-VIFPVBQESA-N 0 3 237.328 0.982 20 0 BCADHN CO[C@@H](C)CNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000659568286 411437714 /nfs/dbraw/zinc/43/77/14/411437714.db2.gz GJOKOBITYGALJX-GUBZILKMSA-N 0 3 229.324 0.413 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCN(C)C[C@@H]2C)C1 ZINC000654764288 411441588 /nfs/dbraw/zinc/44/15/88/411441588.db2.gz YKOBXDZOQMNHDA-RYUDHWBXSA-N 0 3 239.363 0.491 20 0 BCADHN C[C@H](O)CNCc1c(C(F)(F)F)cnn1C ZINC000657284035 411443071 /nfs/dbraw/zinc/44/30/71/411443071.db2.gz LSDDZYLQNRLFPU-LURJTMIESA-N 0 3 237.225 0.909 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1CCS[C@H]1C ZINC000306344915 411443657 /nfs/dbraw/zinc/44/36/57/411443657.db2.gz NWRVNNBJGNIZQL-CIUDSAMLSA-N 0 3 216.350 0.980 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1cnn(CCOC)c1 ZINC000637930000 411446759 /nfs/dbraw/zinc/44/67/59/411446759.db2.gz SDONLEMTBHUGRM-VIFPVBQESA-N 0 3 240.307 0.466 20 0 BCADHN O=C(NCCNCc1cnn2c1CCC2)C1CC1 ZINC000657289088 411450702 /nfs/dbraw/zinc/45/07/02/411450702.db2.gz IFUWEYCYBAQDQA-UHFFFAOYSA-N 0 3 248.330 0.445 20 0 BCADHN CC1(CN2CCN(c3ncc[nH]3)CC2)COC1 ZINC000653645974 411452565 /nfs/dbraw/zinc/45/25/65/411452565.db2.gz GTZQALGZWZCXSG-UHFFFAOYSA-N 0 3 236.319 0.568 20 0 BCADHN OCCNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657292681 411453450 /nfs/dbraw/zinc/45/34/50/411453450.db2.gz CRMFAEVSJQCVMK-CYBMUJFWSA-N 0 3 237.299 0.936 20 0 BCADHN CCN(Cc1ccccn1)C(=O)[C@@H](CN)OC ZINC000227391828 169919696 /nfs/dbraw/zinc/91/96/96/169919696.db2.gz SOWAXGWOGDJMNV-LLVKDONJSA-N 0 3 237.303 0.404 20 0 BCADHN CC(C)CO[C@@H](C)C(=O)NCCN(C)C ZINC000042378106 411467381 /nfs/dbraw/zinc/46/73/81/411467381.db2.gz MUJHQUMBXKHDRP-JTQLQIEISA-N 0 3 216.325 0.725 20 0 BCADHN COC[C@@H](CN1CCC(O)CC1)OC ZINC000659834304 411467605 /nfs/dbraw/zinc/46/76/05/411467605.db2.gz UBSFFRXMHPQTIL-SNVBAGLBSA-N 0 3 203.282 0.105 20 0 BCADHN CCN(Cc1cccc(C(N)=O)c1)[C@H](C)CO ZINC000292058836 411468253 /nfs/dbraw/zinc/46/82/53/411468253.db2.gz BVCDUSUHYMGMNG-SNVBAGLBSA-N 0 3 236.315 0.988 20 0 BCADHN CNC(=O)CCNCc1ccnn1CC1CC1 ZINC000657331105 411468568 /nfs/dbraw/zinc/46/85/68/411468568.db2.gz OLJKECLXTYTUOO-UHFFFAOYSA-N 0 3 236.319 0.519 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCC[C@H]2CO)C1 ZINC000654966187 411468736 /nfs/dbraw/zinc/46/87/36/411468736.db2.gz NRTSBANKHAZIQT-MNOVXSKESA-N 0 3 226.320 0.312 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(CCCO)C2CC2)C1 ZINC000654972122 411469036 /nfs/dbraw/zinc/46/90/36/411469036.db2.gz COHYSBYXYWUXLL-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN CCCN1CCN(Cc2nc[nH]n2)CC1 ZINC000659836040 411470152 /nfs/dbraw/zinc/47/01/52/411470152.db2.gz SYVCRYVMEPHCTP-UHFFFAOYSA-N 0 3 209.297 0.332 20 0 BCADHN CCCN1CCN(Cc2nnc[nH]2)CC1 ZINC000659836040 411470153 /nfs/dbraw/zinc/47/01/53/411470153.db2.gz SYVCRYVMEPHCTP-UHFFFAOYSA-N 0 3 209.297 0.332 20 0 BCADHN CCN(CC(=O)N(C)C)[C@@H]1CCCC[C@H]1O ZINC000659837751 411471286 /nfs/dbraw/zinc/47/12/86/411471286.db2.gz HJODZGNWPSLCGB-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1CCS[C@H]1C ZINC000307362440 411471417 /nfs/dbraw/zinc/47/14/17/411471417.db2.gz IWECANGGWAIKBL-RNJXMRFFSA-N 0 3 202.323 0.734 20 0 BCADHN CN(C)CCn1ccc(C(=O)N2CC=CCC2)n1 ZINC000654987778 411471793 /nfs/dbraw/zinc/47/17/93/411471793.db2.gz KRNWTRNANOUQSZ-UHFFFAOYSA-N 0 3 248.330 0.847 20 0 BCADHN C[C@@H](Cn1cncn1)NCc1cnc2n1CCC2 ZINC000657336363 411472137 /nfs/dbraw/zinc/47/21/37/411472137.db2.gz QVCJLIFXQUKTJO-JTQLQIEISA-N 0 3 246.318 0.599 20 0 BCADHN c1nc(CN2CCN(CC3CC3)CC2)n[nH]1 ZINC000659846312 411474523 /nfs/dbraw/zinc/47/45/23/411474523.db2.gz FYGHBHUZDOEXAW-UHFFFAOYSA-N 0 3 221.308 0.332 20 0 BCADHN c1nnc(CN2CCN(CC3CC3)CC2)[nH]1 ZINC000659846312 411474525 /nfs/dbraw/zinc/47/45/25/411474525.db2.gz FYGHBHUZDOEXAW-UHFFFAOYSA-N 0 3 221.308 0.332 20 0 BCADHN Cc1ncc(CNC[C@@H](C)N(C)C)n1C ZINC000657347945 411475020 /nfs/dbraw/zinc/47/50/20/411475020.db2.gz HXMPJBUTPQJCEA-SECBINFHSA-N 0 3 210.325 0.768 20 0 BCADHN C[C@H](CNCc1cnc2n1CCC2)N(C)C ZINC000657348223 411475281 /nfs/dbraw/zinc/47/52/81/411475281.db2.gz OLCIJLXCTJETIL-SNVBAGLBSA-N 0 3 222.336 0.869 20 0 BCADHN COCCN(C)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000659848874 411475442 /nfs/dbraw/zinc/47/54/42/411475442.db2.gz JEFYQZYSWDWSRB-VXGBXAGGSA-N 0 3 230.352 0.674 20 0 BCADHN COCCN(C)C[C@H](OC)[C@H]1CCOC1 ZINC000659848663 411475504 /nfs/dbraw/zinc/47/55/04/411475504.db2.gz GLMHLZIJHHYOBM-QWRGUYRKSA-N 0 3 217.309 0.616 20 0 BCADHN Cn1ccc(=NC(=O)[C@H]2CC[C@H](C3CC3)N2)[nH]1 ZINC000407289560 411476719 /nfs/dbraw/zinc/47/67/19/411476719.db2.gz HUQSWXGACNSFEG-NXEZZACHSA-N 0 3 234.303 0.311 20 0 BCADHN Cc1cc(=NC(=O)[C@H]2CC[C@@H](C3CC3)N2)[nH]n1C ZINC000407285155 411477229 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/nfs/dbraw/zinc/49/05/06/411490506.db2.gz IZSZAOLGBHLMSL-RYUDHWBXSA-N 0 3 242.363 0.816 20 0 BCADHN C[C@H](CF)NC(=O)c1ccn(CCN(C)C)n1 ZINC000655079796 411490783 /nfs/dbraw/zinc/49/07/83/411490783.db2.gz SDGONYQHVPLJSK-SECBINFHSA-N 0 3 242.298 0.533 20 0 BCADHN CC[C@H]1C[C@@H](N[C@H](C)C(=O)N(C)C)CO1 ZINC000657389480 411490981 /nfs/dbraw/zinc/49/09/81/411490981.db2.gz XTGTXXDOOAXRBW-BBBLOLIVSA-N 0 3 214.309 0.620 20 0 BCADHN CN(C)[C@H]1CN(C(=O)[C@]2(C)CC2(F)F)C[C@@H]1O ZINC000655096211 411494434 /nfs/dbraw/zinc/49/44/34/411494434.db2.gz LLCQHFRHJAHLDD-NRPADANISA-N 0 3 248.273 0.165 20 0 BCADHN CC[C@@H](N)C(=O)NCc1oc(C)nc1C ZINC000311704838 411496023 /nfs/dbraw/zinc/49/60/23/411496023.db2.gz SVRQNCOKOUEGDL-MRVPVSSYSA-N 0 3 211.265 0.645 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)C1 ZINC000655105325 411496186 /nfs/dbraw/zinc/49/61/86/411496186.db2.gz OJWJRGQCULVXJN-WYUUTHIRSA-N 0 3 238.331 0.025 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cnn2c1CCC2 ZINC000657402129 411496662 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XBLHFKDFZFKFSV-GFCCVEGCSA-N 0 3 237.303 0.070 20 0 BCADHN Cn1nnc2c1CC[C@H](NCc1cn[nH]c1)C2 ZINC000655841277 411534174 /nfs/dbraw/zinc/53/41/74/411534174.db2.gz AGSQOKLJBNEKHH-VIFPVBQESA-N 0 3 232.291 0.185 20 0 BCADHN CCN1CC[C@@H](N(C)CC(C)(C)O)C1=O ZINC000659932955 411501535 /nfs/dbraw/zinc/50/15/35/411501535.db2.gz RRSVWMPWKNDTDJ-SECBINFHSA-N 0 3 214.309 0.310 20 0 BCADHN O=C1C[C@@H](CN2CCC[C@@H]2c2cc[nH]n2)CN1 ZINC000660428523 411501710 /nfs/dbraw/zinc/50/17/10/411501710.db2.gz DVXFZZVIHOARHD-MWLCHTKSSA-N 0 3 234.303 0.683 20 0 BCADHN CC[C@H]1COCCN1C[C@@H]1CNC(=O)C1 ZINC000659932890 411503659 /nfs/dbraw/zinc/50/36/59/411503659.db2.gz PSENYKONRBXYJP-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN Cc1c[nH]c(CNCCc2nc(C)n[nH]2)n1 ZINC000657424529 411505206 /nfs/dbraw/zinc/50/52/06/411505206.db2.gz XLWMXVRWIIOZDN-UHFFFAOYSA-N 0 3 220.280 0.477 20 0 BCADHN Cc1c[nH]c(CNCCc2n[nH]c(C)n2)n1 ZINC000657424529 411505207 /nfs/dbraw/zinc/50/52/07/411505207.db2.gz XLWMXVRWIIOZDN-UHFFFAOYSA-N 0 3 220.280 0.477 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](O)CC[C@@H]2C)C1 ZINC000655152115 411506612 /nfs/dbraw/zinc/50/66/12/411506612.db2.gz VFQKULPVXBOFBC-WOPDTQHZSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@@H]1C[C@@H](NCC(=O)N2CCOCC2)CO1 ZINC000657428938 411506948 /nfs/dbraw/zinc/50/69/48/411506948.db2.gz OHMXTXRQBNBKKF-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN CC(C)(F)CNC(=O)CCOC1CNC1 ZINC000638812847 411509076 /nfs/dbraw/zinc/50/90/76/411509076.db2.gz MZIZQVZDHJFZFI-UHFFFAOYSA-N 0 3 218.272 0.229 20 0 BCADHN CCN1CC[C@H](N2CCC[C@@](C)(O)CC2)C1=O ZINC000660442524 411511265 /nfs/dbraw/zinc/51/12/65/411511265.db2.gz BFULTRZHTFCORQ-WCQYABFASA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H]1CCCN1CCN1C(=O)CN(C)C1=O ZINC000659969728 411513195 /nfs/dbraw/zinc/51/31/95/411513195.db2.gz GDNWEEHYQUIMFX-VIFPVBQESA-N 0 3 225.292 0.365 20 0 BCADHN Cc1c[nH]c(CNC[C@H]2CC[C@H](O)C2)n1 ZINC000657446367 411514222 /nfs/dbraw/zinc/51/42/22/411514222.db2.gz QLWQVMLRXVQROB-UWVGGRQHSA-N 0 3 209.293 0.969 20 0 BCADHN CC[C@H](CC(F)F)CN1C[C@@H](O)[C@@H](O)C1 ZINC000659978165 411515949 /nfs/dbraw/zinc/51/59/49/411515949.db2.gz AUEMKCFKEHQXRX-HLTSFMKQSA-N 0 3 223.263 0.705 20 0 BCADHN C[C@@H](CN(C)C)NCc1nnn(C(C)(C)C)n1 ZINC000657464902 411518594 /nfs/dbraw/zinc/51/85/94/411518594.db2.gz BAMREEGVDYTRKU-VIFPVBQESA-N 0 3 240.355 0.468 20 0 BCADHN CCN1CC[C@@H](N2CC[C@](C)(O)C2)C1=O ZINC000659985680 411519977 /nfs/dbraw/zinc/51/99/77/411519977.db2.gz QALDIWXFFWXADT-KOLCDFICSA-N 0 3 212.293 0.064 20 0 BCADHN CCn1nccc1CNC[C@](C)(CO)OC ZINC000655806773 411520226 /nfs/dbraw/zinc/52/02/26/411520226.db2.gz DWBKIORRFVEKOL-LLVKDONJSA-N 0 3 227.308 0.390 20 0 BCADHN C[C@]1(O)CCN(CCO[C@H]2CC2(F)F)C1 ZINC000659985430 411520232 /nfs/dbraw/zinc/52/02/32/411520232.db2.gz JPJQHCNOZZFYMJ-IUCAKERBSA-N 0 3 221.247 0.867 20 0 BCADHN C[C@](O)(CO)CNCc1ccnn1CC1CC1 ZINC000657457592 411520483 /nfs/dbraw/zinc/52/04/83/411520483.db2.gz NZSQVUZYIHJJRN-GFCCVEGCSA-N 0 3 239.319 0.126 20 0 BCADHN CCc1ncc(CNC[C@@](C)(CO)OC)cn1 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GOETUCKEWYYUKU-JTQLQIEISA-N 0 3 216.325 0.868 20 0 BCADHN CCNC(=O)CN1CC[C@@H](COC)C1 ZINC000352870218 170060015 /nfs/dbraw/zinc/06/00/15/170060015.db2.gz JKJCRSPGOIFHEJ-SECBINFHSA-N 0 3 200.282 0.091 20 0 BCADHN CCNC(=O)CN1CCN(CCC2CC2)CC1 ZINC000359844423 170060065 /nfs/dbraw/zinc/06/00/65/170060065.db2.gz ACOIHPQDLXPJDT-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN CCNC(=O)CN[C@@H]1CCCC[C@@H]1OC ZINC000037262530 170065248 /nfs/dbraw/zinc/06/52/48/170065248.db2.gz OIIHHBIUCIELAB-ZJUUUORDSA-N 0 3 214.309 0.670 20 0 BCADHN CCNC(=O)CN[C@@H]1CCC[C@]1(C)CO ZINC000331349899 170065488 /nfs/dbraw/zinc/06/54/88/170065488.db2.gz NPGXTEBLZQBGQK-MWLCHTKSSA-N 0 3 214.309 0.263 20 0 BCADHN CCNC(=O)CN[C@@H](COC)CC(C)C ZINC000309047412 170065518 /nfs/dbraw/zinc/06/55/18/170065518.db2.gz PIDPZZXQFWMRRT-SNVBAGLBSA-N 0 3 216.325 0.773 20 0 BCADHN CCNC(=O)COc1ccccc1CN ZINC000022141888 170068490 /nfs/dbraw/zinc/06/84/90/170068490.db2.gz TZQSMONSZJBUQN-UHFFFAOYSA-N 0 3 208.261 0.660 20 0 BCADHN CCNC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000335570418 170074425 /nfs/dbraw/zinc/07/44/25/170074425.db2.gz OUEVNOUMYYNKET-LLVKDONJSA-N 0 3 211.309 0.744 20 0 BCADHN CCNC(=O)NC(=O)CN(CC)CCC1CC1 ZINC000355036333 170075606 /nfs/dbraw/zinc/07/56/06/170075606.db2.gz OHGCIDINJWKWHR-UHFFFAOYSA-N 0 3 241.335 0.954 20 0 BCADHN CCNC(=O)NC(=O)CN1C[C@H](C)C[C@H](C)C1 ZINC000016335194 170076598 /nfs/dbraw/zinc/07/65/98/170076598.db2.gz IZUDMBLPIAHJIW-AOOOYVTPSA-N 0 3 241.335 0.810 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N(CC)CC ZINC000308850226 170077333 /nfs/dbraw/zinc/07/73/33/170077333.db2.gz QYROXIDZWVRQPB-MRVPVSSYSA-N 0 3 215.297 0.562 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N(CC)CC ZINC000308850228 170077538 /nfs/dbraw/zinc/07/75/38/170077538.db2.gz QYROXIDZWVRQPB-QMMMGPOBSA-N 0 3 215.297 0.562 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]1C ZINC000245458758 170077641 /nfs/dbraw/zinc/07/76/41/170077641.db2.gz VANGFUQGNKRHAP-BDAKNGLRSA-N 0 3 227.308 0.705 20 0 BCADHN CCNC(=O)NC(=O)CSCCN(C)C ZINC000120195878 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BCADHN CC[C@@H]1CN(C[C@@H]2CNC(=O)C2)[C@H](C)CO1 ZINC000660915326 411671118 /nfs/dbraw/zinc/67/11/18/411671118.db2.gz ZIAFWEYVKHJGFI-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1CN(C[C@H]2CNC(=O)C2)C2(CCC2)CO1 ZINC000660919337 411673569 /nfs/dbraw/zinc/67/35/69/411673569.db2.gz DWHXIQDFZVKMFM-GHMZBOCLSA-N 0 3 238.331 0.766 20 0 BCADHN CCc1nn(C)cc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000663504993 411687155 /nfs/dbraw/zinc/68/71/55/411687155.db2.gz FEWYUNUWJIEPMA-GHMZBOCLSA-N 0 3 240.326 0.854 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000663505895 411687417 /nfs/dbraw/zinc/68/74/17/411687417.db2.gz FKNAJEJJLRZQFW-GHMZBOCLSA-N 0 3 226.299 0.600 20 0 BCADHN OC[C@H](CN1CCCCC1)Nc1cccnn1 ZINC000556213988 411689857 /nfs/dbraw/zinc/68/98/57/411689857.db2.gz CKJXMPVQTUCSHT-NSHDSACASA-N 0 3 236.319 0.735 20 0 BCADHN Cc1ccc(NCCN2CC[C@@H](O)C2)nn1 ZINC000624677577 411692359 /nfs/dbraw/zinc/69/23/59/411692359.db2.gz BIDITALDLRGZFV-SNVBAGLBSA-N 0 3 222.292 0.264 20 0 BCADHN Cc1nc(CN2CCOC3(CNC3)C2)cs1 ZINC000663511615 411693599 /nfs/dbraw/zinc/69/35/99/411693599.db2.gz DUKDEHFMUDLZKT-UHFFFAOYSA-N 0 3 239.344 0.626 20 0 BCADHN O[C@H](CNc1nncs1)CN1CCCCC1 ZINC000450255709 411696817 /nfs/dbraw/zinc/69/68/17/411696817.db2.gz CPMIBJKBOYCECM-SECBINFHSA-N 0 3 242.348 0.797 20 0 BCADHN COc1cc(NC(=O)/C=C/CN(C)C)nn1C ZINC000492645669 411697466 /nfs/dbraw/zinc/69/74/66/411697466.db2.gz KJXXXUQVHWNTRH-AATRIKPKSA-N 0 3 238.291 0.485 20 0 BCADHN COCCN1CCC[C@H]1CNc1cnccn1 ZINC000663535470 411700828 /nfs/dbraw/zinc/70/08/28/411700828.db2.gz ZZDOPYYMKIXFFS-NSHDSACASA-N 0 3 236.319 0.999 20 0 BCADHN Cc1cncnc1NCC1=CCN(C)CC1 ZINC000641480778 411740767 /nfs/dbraw/zinc/74/07/67/411740767.db2.gz SWNNVXUXYZUJMD-UHFFFAOYSA-N 0 3 218.304 1.459 20 0 BCADHN CN(C)[C@H]1CN(C(=O)NCC(C)(C)C)C[C@@H]1O ZINC000663796362 411748913 /nfs/dbraw/zinc/74/89/13/411748913.db2.gz CZIVERGYPMUQCQ-UWVGGRQHSA-N 0 3 243.351 0.349 20 0 BCADHN CC[C@H](N)C(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000335193333 411751238 /nfs/dbraw/zinc/75/12/38/411751238.db2.gz LOXAKDSJZKXHQE-QMMMGPOBSA-N 0 3 236.250 1.378 20 0 BCADHN CCc1[nH]nc(NC(=O)[C@@H](N)CC)c1C ZINC000390485648 411758002 /nfs/dbraw/zinc/75/80/02/411758002.db2.gz ONVPGPJCNKESKL-ZETCQYMHSA-N 0 3 210.281 0.956 20 0 BCADHN CCc1cc(NC(=O)[C@H]2CCN(C)C2)n[nH]1 ZINC000386205999 411765992 /nfs/dbraw/zinc/76/59/92/411765992.db2.gz GHGKUKWLTYRBFG-QMMMGPOBSA-N 0 3 222.292 0.862 20 0 BCADHN OC[C@H](CN1CCCCC1)Nc1cnccn1 ZINC000663900072 411769417 /nfs/dbraw/zinc/76/94/17/411769417.db2.gz NOBZYECKQJRTQA-NSHDSACASA-N 0 3 236.319 0.735 20 0 BCADHN CCc1cc(N[C@H](CO)CN(C)C)nc(C)n1 ZINC000663910945 411771575 /nfs/dbraw/zinc/77/15/75/411771575.db2.gz SIKXPGJXCZZBFV-NSHDSACASA-N 0 3 238.335 0.682 20 0 BCADHN CCc1nc(C)cc(N[C@H](CO)CN(C)C)n1 ZINC000663910662 411771673 /nfs/dbraw/zinc/77/16/73/411771673.db2.gz LQINXGAQLLMICG-JTQLQIEISA-N 0 3 238.335 0.682 20 0 BCADHN CCc1cc(N[C@H](CO)CN(C)C)ncn1 ZINC000663910311 411772114 /nfs/dbraw/zinc/77/21/14/411772114.db2.gz HOAJYJYEVGEDCP-JTQLQIEISA-N 0 3 224.308 0.373 20 0 BCADHN Cc1cnc(N[C@@H](CO)CN(C)C)nc1 ZINC000663911025 411773318 /nfs/dbraw/zinc/77/33/18/411773318.db2.gz VLVCVGJOOOHBLI-SECBINFHSA-N 0 3 210.281 0.119 20 0 BCADHN C[C@H](CO)[C@@H]1CCCCN1CC(=O)NC1CC1 ZINC000661430959 411774140 /nfs/dbraw/zinc/77/41/40/411774140.db2.gz AJJPTSUTFSBBKQ-PWSUYJOCSA-N 0 3 240.347 0.748 20 0 BCADHN CCN(C)C(=O)CN1CCCC[C@H]1[C@H](C)CO ZINC000661434638 411774243 /nfs/dbraw/zinc/77/42/43/411774243.db2.gz HQAZLWLLLFIJLM-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN Cc1nc(N[C@@H](C)CO)cc(N[C@@H](C)CO)n1 ZINC000539106295 411775149 /nfs/dbraw/zinc/77/51/49/411775149.db2.gz UKLSHHIOHIZCMA-YUMQZZPRSA-N 0 3 240.307 0.370 20 0 BCADHN CNC(=O)CN1CCCC[C@@H]1[C@H](C)CO ZINC000661436855 411775152 /nfs/dbraw/zinc/77/51/52/411775152.db2.gz XJCZCHBCAKICNH-NXEZZACHSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@H]1COC2(CCC2)CN1C[C@@H]1CNC(=O)C1 ZINC000661460996 411781090 /nfs/dbraw/zinc/78/10/90/411781090.db2.gz AXBBPBSZQZHPMM-QWRGUYRKSA-N 0 3 238.331 0.766 20 0 BCADHN CNC(=O)CCN1CC2(CCC2)OC[C@@H]1C ZINC000661464639 411783335 /nfs/dbraw/zinc/78/33/35/411783335.db2.gz AQTNAVKAFKYEDU-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CCc1nnc(NCC2(N(C)C)CC2)nc1CC ZINC000397988542 411789536 /nfs/dbraw/zinc/78/95/36/411789536.db2.gz VWOMYPDHFUMCJK-UHFFFAOYSA-N 0 3 249.362 1.503 20 0 BCADHN OCCCN1CCC[C@@H](Nc2cnccn2)C1 ZINC000663954761 411790630 /nfs/dbraw/zinc/79/06/30/411790630.db2.gz WIDWXRFWACRXOA-LLVKDONJSA-N 0 3 236.319 0.735 20 0 BCADHN CCN(C)C(=O)CN1C[C@]2(C)COC[C@]2(C)C1 ZINC000661502253 411791111 /nfs/dbraw/zinc/79/11/11/411791111.db2.gz MSVZCZPOTJDQSO-BETUJISGSA-N 0 3 240.347 0.823 20 0 BCADHN CCOc1nccnc1NCC1(N(C)C)CC1 ZINC000565412052 411720063 /nfs/dbraw/zinc/72/00/63/411720063.db2.gz ZCJDISJVRQMZDP-UHFFFAOYSA-N 0 3 236.319 1.381 20 0 BCADHN O=c1cc(CN[C@@H](CO)C2CCC2)occ1O ZINC000661153011 411720816 /nfs/dbraw/zinc/72/08/16/411720816.db2.gz DXLCPOVSGIRNIR-JTQLQIEISA-N 0 3 239.271 0.596 20 0 BCADHN CC(C)(C)NC(=O)CN[C@H](CO)C1CCC1 ZINC000661152670 411720919 /nfs/dbraw/zinc/72/09/19/411720919.db2.gz BYYGFXOQUUJHOM-SNVBAGLBSA-N 0 3 228.336 0.652 20 0 BCADHN OC[C@H](NC[C@@H](O)C(F)(F)F)C1CCC1 ZINC000661156866 411721753 /nfs/dbraw/zinc/72/17/53/411721753.db2.gz YZUCLVAJPNMZCZ-JGVFFNPUSA-N 0 3 227.226 0.660 20 0 BCADHN OC[C@@H](NC[C@@H](O)C(F)(F)F)C1CCC1 ZINC000661156864 411722114 /nfs/dbraw/zinc/72/21/14/411722114.db2.gz YZUCLVAJPNMZCZ-HTQZYQBOSA-N 0 3 227.226 0.660 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@@H](CO)C1CCC1 ZINC000661154934 411722261 /nfs/dbraw/zinc/72/22/61/411722261.db2.gz CDIBRTZTEKLNPJ-ONGXEEELSA-N 0 3 228.336 0.652 20 0 BCADHN O=C(CN[C@@H](CO)C1CCC1)Nc1ccon1 ZINC000661156938 411722335 /nfs/dbraw/zinc/72/23/35/411722335.db2.gz KZUAFKOKXQDSAY-VIFPVBQESA-N 0 3 239.275 0.364 20 0 BCADHN OC[C@@H](NCc1cn2cccnc2n1)C1CCC1 ZINC000661154612 411722916 /nfs/dbraw/zinc/72/29/16/411722916.db2.gz BNWBZERKIRQGNW-GFCCVEGCSA-N 0 3 246.314 0.980 20 0 BCADHN COC[C@H](NCc1cn[nH]n1)C1CCOCC1 ZINC000661160269 411724579 /nfs/dbraw/zinc/72/45/79/411724579.db2.gz WQMZFYRHRKOWLC-NSHDSACASA-N 0 3 240.307 0.336 20 0 BCADHN Cc1nnc(NC(=O)N2CCCNCC2)s1 ZINC000623053450 411794987 /nfs/dbraw/zinc/79/49/87/411794987.db2.gz GBIPRFKIUREXIL-UHFFFAOYSA-N 0 3 241.320 0.674 20 0 BCADHN CC(C(=O)Nc1cc[nH]n1)C(F)(F)F ZINC000335869471 411808971 /nfs/dbraw/zinc/80/89/71/411808971.db2.gz RPLXOHXFISQNDA-BYPYZUCNSA-N 0 3 207.155 1.547 20 0 BCADHN CN(C[C@H]1COCCO1)[C@@H]1CCOC1 ZINC000661611246 411810788 /nfs/dbraw/zinc/81/07/88/411810788.db2.gz ITKMFPGFAVQEFN-ZJUUUORDSA-N 0 3 201.266 0.123 20 0 BCADHN CC(C)COCCNC1(C(N)=O)CCOCC1 ZINC000661595420 411810896 /nfs/dbraw/zinc/81/08/96/411810896.db2.gz QHMUVCFCUJDIJT-UHFFFAOYSA-N 0 3 244.335 0.283 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661627256 411812836 /nfs/dbraw/zinc/81/28/36/411812836.db2.gz OYGRPCCZAJABFT-YTWAJWBKSA-N 0 3 228.336 0.412 20 0 BCADHN CN(CCc1cnn(C)c1)C[C@H]1COCCO1 ZINC000661606047 411813969 /nfs/dbraw/zinc/81/39/69/411813969.db2.gz RFMXPDXLDCAAMF-LBPRGKRZSA-N 0 3 239.319 0.310 20 0 BCADHN CC(C)NC(=O)CCN(C)C[C@H]1COCCO1 ZINC000661605735 411814174 /nfs/dbraw/zinc/81/41/74/411814174.db2.gz QPGBSHRDLZVTAF-NSHDSACASA-N 0 3 244.335 0.248 20 0 BCADHN Cc1cnn(CCN(C)C[C@@H]2COCCO2)c1 ZINC000661606957 411814618 /nfs/dbraw/zinc/81/46/18/411814618.db2.gz VQQKIUJJNPKFLQ-GFCCVEGCSA-N 0 3 239.319 0.539 20 0 BCADHN C[C@@H]1CC[C@H](CN(C)C[C@@H]2COCCO2)O1 ZINC000661609491 411816209 /nfs/dbraw/zinc/81/62/09/411816209.db2.gz ATZRUGPBBOCPPL-IJLUTSLNSA-N 0 3 229.320 0.901 20 0 BCADHN C[C@@H]1CC[C@@H](CN(C)C[C@H]2COCCO2)O1 ZINC000661609495 411816489 /nfs/dbraw/zinc/81/64/89/411816489.db2.gz ATZRUGPBBOCPPL-WOPDTQHZSA-N 0 3 229.320 0.901 20 0 BCADHN C[C@@H](CN(C)C)Nc1cc(C#N)cnn1 ZINC000396881307 411817416 /nfs/dbraw/zinc/81/74/16/411817416.db2.gz IDHOTNQGKADKBL-QMMMGPOBSA-N 0 3 205.265 0.710 20 0 BCADHN CC[C@@H](C)CN1CCC[C@H]1CS(N)(=O)=O ZINC000407947817 170704444 /nfs/dbraw/zinc/70/44/44/170704444.db2.gz DYNGPBXTOZFSOQ-ZJUUUORDSA-N 0 3 234.365 0.785 20 0 BCADHN CO[C@H](CN(C)C[C@H]1COCCO1)C1CC1 ZINC000661614340 411818573 /nfs/dbraw/zinc/81/85/73/411818573.db2.gz PHFIDXSBMZVYCT-NWDGAFQWSA-N 0 3 229.320 0.759 20 0 BCADHN CCn1nc(NC(=O)[C@H](C)NC)cc1C1CC1 ZINC000576001978 411819441 /nfs/dbraw/zinc/81/94/41/411819441.db2.gz NULINAIFGQYPFE-QMMMGPOBSA-N 0 3 236.319 1.327 20 0 BCADHN C[C@@H](N)C(=O)Nc1cc(CC2CC2)[nH]n1 ZINC000634308459 411822082 /nfs/dbraw/zinc/82/20/82/411822082.db2.gz RTRCVBJUJZTLFO-ZCFIWIBFSA-N 0 3 208.265 0.648 20 0 BCADHN C[C@@H](C(N)=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000661629665 411823544 /nfs/dbraw/zinc/82/35/44/411823544.db2.gz ZVPGNWFWBOZIGW-KWQFWETISA-N 0 3 212.293 0.097 20 0 BCADHN CN(C)C(=O)CN1CCC[C@](O)(C2CC2)C1 ZINC000661630326 411824378 /nfs/dbraw/zinc/82/43/78/411824378.db2.gz HCDWHBPVOGSHRF-GFCCVEGCSA-N 0 3 226.320 0.312 20 0 BCADHN Nc1cccc(CN2C[C@H](O)[C@@H](CO)C2)c1 ZINC000316564005 411824634 /nfs/dbraw/zinc/82/46/34/411824634.db2.gz TTYUFIOJBAFHFF-PWSUYJOCSA-N 0 3 222.288 0.054 20 0 BCADHN CCN(C)C(=O)CN1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661631360 411825763 /nfs/dbraw/zinc/82/57/63/411825763.db2.gz ORGGFMBCLSSDEC-UWVGGRQHSA-N 0 3 228.336 0.413 20 0 BCADHN Clc1cncnc1NC[C@@H]1CSCCN1 ZINC000641687148 411827872 /nfs/dbraw/zinc/82/78/72/411827872.db2.gz IUKPLPVMJFQVNC-SSDOTTSWSA-N 0 3 244.751 1.247 20 0 BCADHN COC[C@@](C)(CCO)NCc1ccc(N)nc1 ZINC000647518348 411866548 /nfs/dbraw/zinc/86/65/48/411866548.db2.gz BHDFVVVQUQJYST-GFCCVEGCSA-N 0 3 239.319 0.541 20 0 BCADHN CC(C)NC(=O)CN1C[C@H]2COC[C@]2(C)C1 ZINC000661697684 411833994 /nfs/dbraw/zinc/83/39/94/411833994.db2.gz PLMDJDGKCVRXGQ-JQWIXIFHSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)Nc1cccnn1 ZINC000345506498 411835301 /nfs/dbraw/zinc/83/53/01/411835301.db2.gz LIRYYWTVNYLWJT-SNVBAGLBSA-N 0 3 249.318 1.035 20 0 BCADHN C[C@]12COC[C@H]1CN(Cc1c[nH]cn1)C2 ZINC000661698877 411835319 /nfs/dbraw/zinc/83/53/19/411835319.db2.gz BKXUSAJNCJDBAO-KOLCDFICSA-N 0 3 207.277 0.878 20 0 BCADHN C[C@]12COC[C@H]1CN(Cc1cnc[nH]1)C2 ZINC000661698877 411835321 /nfs/dbraw/zinc/83/53/21/411835321.db2.gz BKXUSAJNCJDBAO-KOLCDFICSA-N 0 3 207.277 0.878 20 0 BCADHN C[C@@]12COC[C@@H]1CN(Cc1c[nH]nn1)C2 ZINC000661704158 411835964 /nfs/dbraw/zinc/83/59/64/411835964.db2.gz OPOAUHFWRVCZEO-WCBMZHEXSA-N 0 3 208.265 0.273 20 0 BCADHN CNC(=O)CN1CCC[C@@H](CCF)C1 ZINC000661687850 411838148 /nfs/dbraw/zinc/83/81/48/411838148.db2.gz DGZVZLVSUYFMQR-VIFPVBQESA-N 0 3 202.273 0.804 20 0 BCADHN C[C@]12COC[C@H]1CN(CC(=O)N1CCC1)C2 ZINC000661703515 411846992 /nfs/dbraw/zinc/84/69/92/411846992.db2.gz UGMNJRMVOIUHBH-PWSUYJOCSA-N 0 3 224.304 0.187 20 0 BCADHN CC(C)OCC[C@H](O)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000661723358 411857580 /nfs/dbraw/zinc/85/75/80/411857580.db2.gz KIGABQYWYVUCBN-RWMBFGLXSA-N 0 3 243.347 0.619 20 0 BCADHN CC(C)OCC[C@@H](O)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000661723359 411857719 /nfs/dbraw/zinc/85/77/19/411857719.db2.gz KIGABQYWYVUCBN-YNEHKIRRSA-N 0 3 243.347 0.619 20 0 BCADHN CCN1C[C@@H](C)N(Cc2nccc(N)n2)[C@H](C)C1 ZINC000459478818 411858512 /nfs/dbraw/zinc/85/85/12/411858512.db2.gz NLQBOECGFDWZOZ-GHMZBOCLSA-N 0 3 249.362 0.973 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)c1nccc(N)n1 ZINC000638856669 411859647 /nfs/dbraw/zinc/85/96/47/411859647.db2.gz QVNXRTFPWQMYFN-JGVFFNPUSA-N 0 3 237.307 0.234 20 0 BCADHN CCn1cc(CCN2CC[C@@]3(O)C[C@H]3C2)cn1 ZINC000661723575 411860927 /nfs/dbraw/zinc/86/09/27/411860927.db2.gz OWDPOWCAHDVGOF-QWHCGFSZSA-N 0 3 235.331 0.902 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](C)c1nccc(N)n1 ZINC000638856670 411861038 /nfs/dbraw/zinc/86/10/38/411861038.db2.gz QVNXRTFPWQMYFN-SFYZADRCSA-N 0 3 237.307 0.234 20 0 BCADHN Cn1nccc1CCN1CC[C@@]2(O)C[C@H]2C1 ZINC000661723633 411861053 /nfs/dbraw/zinc/86/10/53/411861053.db2.gz QUJUGASDBJRQNH-CMPLNLGQSA-N 0 3 221.304 0.419 20 0 BCADHN CN1CCN(CCC(C)(C)O)CCC1=O ZINC000661804679 411886917 /nfs/dbraw/zinc/88/69/17/411886917.db2.gz JLZVXGLLBPKNRU-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN CN1CCN(CC2CCC(=O)CC2)CCC1=O ZINC000661805438 411887155 /nfs/dbraw/zinc/88/71/55/411887155.db2.gz JNQHJFOYHQWRGU-UHFFFAOYSA-N 0 3 238.331 0.910 20 0 BCADHN CN1CCN(CCC2CCOCC2)CCC1=O ZINC000661805226 411887326 /nfs/dbraw/zinc/88/73/26/411887326.db2.gz DWQHPQGNJOUEQW-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)NC/C=C\CO)CCN1C ZINC000664215964 411887915 /nfs/dbraw/zinc/88/79/15/411887915.db2.gz DKNSSJBRDXSRIE-CJOPTALJSA-N 0 3 241.335 0.317 20 0 BCADHN CN(Cc1nccc(N)n1)[C@@H]1CCN(C2CC2)C1 ZINC000533079617 411888117 /nfs/dbraw/zinc/88/81/17/411888117.db2.gz PEWAVMCLGJCZFX-LLVKDONJSA-N 0 3 247.346 0.727 20 0 BCADHN CO[C@H](C)CN1CCC(=O)N(C)CC1 ZINC000661807638 411888432 /nfs/dbraw/zinc/88/84/32/411888432.db2.gz WIQFEVJIXZFZQB-SECBINFHSA-N 0 3 200.282 0.185 20 0 BCADHN CN1CCN(CCN2CCCCC2)CCC1=O ZINC000661806576 411888767 /nfs/dbraw/zinc/88/87/67/411888767.db2.gz LSOHDFXAERTAGG-UHFFFAOYSA-N 0 3 239.363 0.636 20 0 BCADHN CC1(C)CN(C(=O)c2ccc(N)nc2)CCN1 ZINC000638271034 411888984 /nfs/dbraw/zinc/88/89/84/411888984.db2.gz QQDUCKVHHMPXBN-UHFFFAOYSA-N 0 3 234.303 0.488 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)Nc1ccc(N)nc1 ZINC000644084518 411889014 /nfs/dbraw/zinc/88/90/14/411889014.db2.gz YSSYMOTYVCFOFH-SECBINFHSA-N 0 3 220.276 0.600 20 0 BCADHN C[C@@H](O)CCN1CCC[C@H](c2nnc(N)o2)C1 ZINC000639821576 411890087 /nfs/dbraw/zinc/89/00/87/411890087.db2.gz WIXJHWZIHXSGHV-BDAKNGLRSA-N 0 3 240.307 0.602 20 0 BCADHN CN1CCN(CCCCCO)CCC1=O ZINC000661811863 411891393 /nfs/dbraw/zinc/89/13/93/411891393.db2.gz KGHADIYUALRHSG-UHFFFAOYSA-N 0 3 214.309 0.313 20 0 BCADHN CCN1CC[C@H](N[C@H]2C[C@@H](O)C23CCC3)C1=O ZINC000661825338 411892870 /nfs/dbraw/zinc/89/28/70/411892870.db2.gz FTGSKBCYMDGBIQ-GARJFASQSA-N 0 3 238.331 0.500 20 0 BCADHN CCCNC(=O)CN[C@H]1C[C@@H](O)C12CCC2 ZINC000661824151 411893060 /nfs/dbraw/zinc/89/30/60/411893060.db2.gz BGDAZQGYPLMMAD-VHSXEESVSA-N 0 3 226.320 0.406 20 0 BCADHN O[C@H](CN[C@H]1C[C@H](O)C12CCC2)C(F)(F)F ZINC000661831520 411895764 /nfs/dbraw/zinc/89/57/64/411895764.db2.gz PIXMXBNPXOFPOV-BIIVOSGPSA-N 0 3 239.237 0.803 20 0 BCADHN CN1CCC(NC(=O)c2ncccc2N)CC1 ZINC000132327162 411897701 /nfs/dbraw/zinc/89/77/01/411897701.db2.gz PFWUODOVOAEASD-UHFFFAOYSA-N 0 3 234.303 0.488 20 0 BCADHN CCN(C)C(=O)CN[C@H]1C[C@@H](O)C12CCC2 ZINC000661836509 411897890 /nfs/dbraw/zinc/89/78/90/411897890.db2.gz RKFJTZLMJDCXIA-VHSXEESVSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@H](CNC(=O)c1ncnn1C)N1CCCC1 ZINC000664247330 411898823 /nfs/dbraw/zinc/89/88/23/411898823.db2.gz KBIHDVNZABJKTR-SECBINFHSA-N 0 3 237.307 0.029 20 0 BCADHN C[C@H](N[C@@H]1C[C@H](O)C12CCC2)C(=O)NC1CC1 ZINC000661836960 411899245 /nfs/dbraw/zinc/89/92/45/411899245.db2.gz HDGVJXFGHXRWRV-GDPRMGEGSA-N 0 3 238.331 0.547 20 0 BCADHN CO[C@H](C)CN1CCC(c2nnc(N)o2)CC1 ZINC000639739226 411899732 /nfs/dbraw/zinc/89/97/32/411899732.db2.gz LNIYCVSNGPGUQU-MRVPVSSYSA-N 0 3 240.307 0.866 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000661843779 411899983 /nfs/dbraw/zinc/89/99/83/411899983.db2.gz YZFWJROTCVNOQE-HBNTYKKESA-N 0 3 240.347 0.794 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1C[C@H](O)C12CCC2 ZINC000661843452 411900244 /nfs/dbraw/zinc/90/02/44/411900244.db2.gz XZZZVBBBXYPDBE-ZJUUUORDSA-N 0 3 226.320 0.404 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@H]1C[C@H](O)C12CCC2 ZINC000661843773 411900276 /nfs/dbraw/zinc/90/02/76/411900276.db2.gz YZFWJROTCVNOQE-DCAQKATOSA-N 0 3 240.347 0.794 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@@H]1C[C@H](O)C12CCC2 ZINC000661841444 411900290 /nfs/dbraw/zinc/90/02/90/411900290.db2.gz TUPRPEGKIHBPNB-AXFHLTTASA-N 0 3 240.347 0.794 20 0 BCADHN COCc1nc(CNc2cc(C)nc(C)n2)n[nH]1 ZINC000664278293 411910033 /nfs/dbraw/zinc/91/00/33/411910033.db2.gz QCIDBBCNTXWUEN-UHFFFAOYSA-N 0 3 248.290 0.970 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCc2cnc(N)nc2C1 ZINC000639814521 411914718 /nfs/dbraw/zinc/91/47/18/411914718.db2.gz OQVSQGWMJXRNAX-ONGXEEELSA-N 0 3 248.330 0.842 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N2CC(F)C2)C1 ZINC000661945632 411915767 /nfs/dbraw/zinc/91/57/67/411915767.db2.gz FHGJNMKIHJNEGX-SNVBAGLBSA-N 0 3 229.299 0.834 20 0 BCADHN C[C@H](c1ccncc1)N1CCC(CO)(CO)C1 ZINC000661944585 411915960 /nfs/dbraw/zinc/91/59/60/411915960.db2.gz WNAACDMFCCIJFF-LLVKDONJSA-N 0 3 236.315 0.819 20 0 BCADHN CC(C)OCCCN1CCC(CO)(CO)C1 ZINC000661943819 411916787 /nfs/dbraw/zinc/91/67/87/411916787.db2.gz MPXRMEKCFJWIAA-UHFFFAOYSA-N 0 3 231.336 0.478 20 0 BCADHN C[C@H](CN(C)C)Nc1ncnc2nc(N)ccc21 ZINC000343784893 411918124 /nfs/dbraw/zinc/91/81/24/411918124.db2.gz FDODMMAMPDGAHO-MRVPVSSYSA-N 0 3 246.318 0.969 20 0 BCADHN CN(C)[C@H]1CN(C(=O)NCC2(C)CC2)C[C@@H]1O ZINC000664314486 411919923 /nfs/dbraw/zinc/91/99/23/411919923.db2.gz RZDQLVOGPVINQW-UWVGGRQHSA-N 0 3 241.335 0.103 20 0 BCADHN C[C@H](Cn1cccn1)NCc1ccc(N)nc1 ZINC000647549557 411920654 /nfs/dbraw/zinc/92/06/54/411920654.db2.gz HLNPZDQMGQMMEV-SNVBAGLBSA-N 0 3 231.303 1.039 20 0 BCADHN C[C@H](O)CN1CCC[C@H](c2ccnc(N)n2)C1 ZINC000366988922 411922458 /nfs/dbraw/zinc/92/24/58/411922458.db2.gz NBUONZFNBBBHCX-UWVGGRQHSA-N 0 3 236.319 0.619 20 0 BCADHN Cc1cc(CO)cc(N(C)CC2CN(C)C2)n1 ZINC000664331135 411923554 /nfs/dbraw/zinc/92/35/54/411923554.db2.gz UUXOYSYEISDPRM-UHFFFAOYSA-N 0 3 235.331 0.880 20 0 BCADHN CCS(=O)(=O)NCCCN1CC[C@H]2C[C@H]2C1 ZINC000661967312 411923527 /nfs/dbraw/zinc/92/35/27/411923527.db2.gz CZUOFQGBUFOOIS-QWRGUYRKSA-N 0 3 246.376 0.658 20 0 BCADHN CN(CC1CN(C)C1)c1ncnc2n[nH]cc21 ZINC000664332415 411924468 /nfs/dbraw/zinc/92/44/68/411924468.db2.gz YIHJUTQPMQRRJM-UHFFFAOYSA-N 0 3 232.291 0.351 20 0 BCADHN C[C@@H](CO)CN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662011163 411940476 /nfs/dbraw/zinc/94/04/76/411940476.db2.gz JNKAYRBNDIVAEA-MNOVXSKESA-N 0 3 243.351 0.303 20 0 BCADHN COCCN1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662010183 411941260 /nfs/dbraw/zinc/94/12/60/411941260.db2.gz CEKYCBZCIJKQMH-SNVBAGLBSA-N 0 3 229.324 0.321 20 0 BCADHN COC[C@](C)(CCO)NCc1ccc(N)nc1 ZINC000647518349 411868939 /nfs/dbraw/zinc/86/89/39/411868939.db2.gz BHDFVVVQUQJYST-LBPRGKRZSA-N 0 3 239.319 0.541 20 0 BCADHN Nc1cc(CN2C[C@H]3C[C@@]3(O)C2)ccn1 ZINC000640482346 411941386 /nfs/dbraw/zinc/94/13/86/411941386.db2.gz QUKLKMHGNBPGKF-MWLCHTKSSA-N 0 3 205.261 0.230 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1Cc1nccc(N)n1 ZINC000408467075 411877813 /nfs/dbraw/zinc/87/78/13/411877813.db2.gz KKSPTSOFHGHILD-NSHDSACASA-N 0 3 249.362 0.831 20 0 BCADHN CCCNC(=O)CN1CCC[C@@H]1[C@@H](C)O ZINC000661766592 411878466 /nfs/dbraw/zinc/87/84/66/411878466.db2.gz GMKLPFFXFQMCNH-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CN(Cc1ccnc(N)c1)C[C@H]1C[C@@H](O)C1 ZINC000626046701 411880059 /nfs/dbraw/zinc/88/00/59/411880059.db2.gz OFROTIAQKDOJCK-XYPYZODXSA-N 0 3 221.304 0.867 20 0 BCADHN CC[C@@H](O)CN1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639822752 411881466 /nfs/dbraw/zinc/88/14/66/411881466.db2.gz XIUUBLIOCKFJBZ-RKDXNWHRSA-N 0 3 240.307 0.602 20 0 BCADHN CN1CCN(CCC[C@@H]2CCOC2)CCC1=O ZINC000661804780 411883295 /nfs/dbraw/zinc/88/32/95/411883295.db2.gz NCJYRTPAXZMRFI-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN CN(Cc1ccnc(N)c1)[C@@H]1CCC(=O)N(C)C1 ZINC000580325152 411883509 /nfs/dbraw/zinc/88/35/09/411883509.db2.gz KCTWYOGFKSDFLA-LLVKDONJSA-N 0 3 248.330 0.716 20 0 BCADHN O=C1CCCN1C[C@@H]1CCN([C@H]2CCOC2)C1 ZINC000662055906 411967234 /nfs/dbraw/zinc/96/72/34/411967234.db2.gz WKLRZCRCXHFLLT-NEPJUHHUSA-N 0 3 238.331 0.720 20 0 BCADHN CC(C)CCN1CCN(C)C[C@@H]1CO ZINC000219905558 411972709 /nfs/dbraw/zinc/97/27/09/411972709.db2.gz GOTKKAJCWVUQPN-LLVKDONJSA-N 0 3 200.326 0.641 20 0 BCADHN CCN1CC[C@@H](N2CCC3(COC3)C2)C1=O ZINC000662069865 411972751 /nfs/dbraw/zinc/97/27/51/411972751.db2.gz LAMVQFDXBDGXBM-SNVBAGLBSA-N 0 3 224.304 0.330 20 0 BCADHN CC[C@@H](NCC(C)(C)C(N)=O)c1cnn(C)c1 ZINC000183201800 170890152 /nfs/dbraw/zinc/89/01/52/170890152.db2.gz WBAZCOJXMPULHT-SNVBAGLBSA-N 0 3 238.335 0.972 20 0 BCADHN CCN1CC[C@H](NC(=O)c2ccnn2CC)C1 ZINC000665669641 411988461 /nfs/dbraw/zinc/98/84/61/411988461.db2.gz CDUAJYGHVHIEGA-JTQLQIEISA-N 0 3 236.319 0.727 20 0 BCADHN CC(C)NC(=O)CN1C[C@@H](C)[C@](C)(CO)C1 ZINC000662141475 411989806 /nfs/dbraw/zinc/98/98/06/411989806.db2.gz WXUFYOGJQPBZCT-PWSUYJOCSA-N 0 3 228.336 0.461 20 0 BCADHN CC(=O)[C@](C)(O)CN1C[C@H](C)[C@@](C)(CO)C1 ZINC000662142959 411993806 /nfs/dbraw/zinc/99/38/06/411993806.db2.gz LUUULHXSKXHTIX-MVWJERBFSA-N 0 3 229.320 0.277 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@H](C)[C@@](C)(CO)C1 ZINC000662136950 411999226 /nfs/dbraw/zinc/99/92/26/411999226.db2.gz WDRFKIOLFRGQPS-IQJOONFLSA-N 0 3 214.309 0.201 20 0 BCADHN C[C@H]1CN(CC(=O)NC2CC2)C[C@@]1(C)CO ZINC000662138419 411999257 /nfs/dbraw/zinc/99/92/57/411999257.db2.gz QIWZRPKGQLZDJA-CABZTGNLSA-N 0 3 226.320 0.215 20 0 BCADHN C[C@H]1CN(Cc2ccnn2C)C[C@]1(C)CO ZINC000662142570 412004554 /nfs/dbraw/zinc/00/45/54/412004554.db2.gz JBXVVCCBGVOVIH-CMPLNLGQSA-N 0 3 223.320 0.870 20 0 BCADHN CCN(CC)C(=O)CN1C[C@H](C)[C@@](C)(CO)C1 ZINC000662141454 412004898 /nfs/dbraw/zinc/00/48/98/412004898.db2.gz WUACRUCASQNZFO-WCQYABFASA-N 0 3 242.363 0.805 20 0 BCADHN CCNC(=O)CN1CCCC[C@@H]1C1(O)CC1 ZINC000664723796 412009045 /nfs/dbraw/zinc/00/90/45/412009045.db2.gz NWPHPGXHBKFEIM-SNVBAGLBSA-N 0 3 226.320 0.502 20 0 BCADHN Cn1ccc(CN2CC[C@@H]3COC[C@@H]3C2)n1 ZINC000662029807 411945777 /nfs/dbraw/zinc/94/57/77/411945777.db2.gz BRFPNXVUPCUKKQ-MNOVXSKESA-N 0 3 221.304 0.888 20 0 BCADHN Cn1cc(CN2CC[C@H]3COC[C@H]3C2)nn1 ZINC000662030678 411947683 /nfs/dbraw/zinc/94/76/83/411947683.db2.gz BACXUEKBZGTJAK-VHSXEESVSA-N 0 3 222.292 0.283 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@H]2COC[C@@H]2C1 ZINC000662036886 411952913 /nfs/dbraw/zinc/95/29/13/411952913.db2.gz JFWYJKUDLSPKCX-VWYCJHECSA-N 0 3 238.331 0.622 20 0 BCADHN CN1CCC[C@H](N2CC[C@@H]3COC[C@H]3C2)C1=O ZINC000662039060 411954872 /nfs/dbraw/zinc/95/48/72/411954872.db2.gz XLIVGVDYYYMBGW-UTUOFQBUSA-N 0 3 238.331 0.576 20 0 BCADHN Cn1cncc1CN1CC[C@H]2COC[C@H]2C1 ZINC000662038817 411955971 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QXTJJOLFZRXAOY-OUAUKWLOSA-N 0 3 226.320 0.716 20 0 BCADHN CC[C@H](C(=O)NC1CCN(C)CC1)[C@@H](C)O ZINC000357308688 171226965 /nfs/dbraw/zinc/22/69/65/171226965.db2.gz QKCGKIKHQFHUJR-KOLCDFICSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)N(C)C1CC1)[C@@H](C)O ZINC000357593890 171229132 /nfs/dbraw/zinc/22/91/32/171229132.db2.gz CALLSOJULFJSAY-FOGDFJRCSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1CCCN1CC)[C@@H](C)O ZINC000357621216 171229187 /nfs/dbraw/zinc/22/91/87/171229187.db2.gz NIZQUVUTOXTWLE-UTUOFQBUSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)NC[C@@]1(O)CCSC1)N(C)C ZINC000125412377 171229951 /nfs/dbraw/zinc/22/99/51/171229951.db2.gz NQXUWNAGVDXURH-KOLCDFICSA-N 0 3 246.376 0.311 20 0 BCADHN CC[C@H](C(=O)NCc1c[nH]nc1C)N(C)C ZINC000338271103 171230344 /nfs/dbraw/zinc/23/03/44/171230344.db2.gz LCGGMBREXZSQPL-SNVBAGLBSA-N 0 3 224.308 0.675 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1CCO)N(C)C ZINC000187859625 171231496 /nfs/dbraw/zinc/23/14/96/171231496.db2.gz YTEFUMHOVBNSND-IJLUTSLNSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1C=C[C@@H](CO)C1)N(C)C ZINC000338967067 171232214 /nfs/dbraw/zinc/23/22/14/171232214.db2.gz PNMLSRANQDIBMH-GMTAPVOTSA-N 0 3 226.320 0.380 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)CC(=O)OC)N(C)C ZINC000359149393 171233406 /nfs/dbraw/zinc/23/34/06/171233406.db2.gz NDOWFPJDKSQSCN-RKDXNWHRSA-N 0 3 230.308 0.394 20 0 BCADHN CC[C@H](C(=O)OC)N1CC[C@@](C)(C(N)=O)C1 ZINC000361556383 171241753 /nfs/dbraw/zinc/24/17/53/171241753.db2.gz GRQUGGMCTFNFKO-LDYMZIIASA-N 0 3 228.292 0.135 20 0 BCADHN c1cncc([C@@H]2CCN(C[C@H]3CNCCO3)C2)c1 ZINC000662283928 412074325 /nfs/dbraw/zinc/07/43/25/412074325.db2.gz RKPAYZOEXVZMGZ-ZIAGYGMSSA-N 0 3 247.342 0.859 20 0 BCADHN c1cncc([C@@H]2CCN(C[C@@H]3CNCCO3)C2)c1 ZINC000662283925 412074670 /nfs/dbraw/zinc/07/46/70/412074670.db2.gz RKPAYZOEXVZMGZ-KGLIPLIRSA-N 0 3 247.342 0.859 20 0 BCADHN FC1(F)C[C@]12CCN(C[C@H]1CNCCO1)C2 ZINC000662285141 412076393 /nfs/dbraw/zinc/07/63/93/412076393.db2.gz XWAQOEQQAWNTMV-ZJUUUORDSA-N 0 3 232.274 0.706 20 0 BCADHN CC[C@H](C)CN1CCN2C(=O)NC[C@@H]2C1 ZINC000123635459 171281392 /nfs/dbraw/zinc/28/13/92/171281392.db2.gz IELLHWYXIJSUNK-VHSXEESVSA-N 0 3 211.309 0.742 20 0 BCADHN CC[C@H](C)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000121208902 171283099 /nfs/dbraw/zinc/28/30/99/171283099.db2.gz AORGPDSTKVZEBW-UWVGGRQHSA-N 0 3 234.365 0.656 20 0 BCADHN CC[C@H](C)CS(=O)(=O)N1CCCNCC1 ZINC000237117059 171291599 /nfs/dbraw/zinc/29/15/99/171291599.db2.gz CRZCZPWFSJJGRJ-JTQLQIEISA-N 0 3 234.365 0.658 20 0 BCADHN CC[C@H](C)N(C)CC(=O)N1CCNCC1 ZINC000037110207 171304686 /nfs/dbraw/zinc/30/46/86/171304686.db2.gz OBUYEKHSKXOYGJ-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN CC[C@H](C)NC(=O)CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252874545 171325387 /nfs/dbraw/zinc/32/53/87/171325387.db2.gz PYTJCIVIDNYJPO-BJDJZHNGSA-N 0 3 240.347 0.604 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N(C)CC1CC(O)C1 ZINC000091490667 171331012 /nfs/dbraw/zinc/33/10/12/171331012.db2.gz JENUCNTVGOEIAZ-DMOGRIERSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N[C@H]1CCOC1 ZINC000251670153 171331888 /nfs/dbraw/zinc/33/18/88/171331888.db2.gz CKOCVNUTFMWQFE-AEJSXWLSSA-N 0 3 214.309 0.668 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N1CC[C@@H]([C@H](C)O)C1 ZINC000252775444 171334607 /nfs/dbraw/zinc/33/46/07/171334607.db2.gz NSIIZELDRHDYCE-FIQHERPVSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](N)CCC(=O)OC ZINC000336725293 171335654 /nfs/dbraw/zinc/33/56/54/171335654.db2.gz BLCRDYMPUUJHNS-JGVFFNPUSA-N 0 3 216.281 0.182 20 0 BCADHN C[C@H](CO)C1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662286202 412078557 /nfs/dbraw/zinc/07/85/57/412078557.db2.gz POSYFNIWRAQODS-YPMHNXCESA-N 0 3 242.363 0.315 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCC(OC)CC1 ZINC000037266775 171369702 /nfs/dbraw/zinc/36/97/02/171369702.db2.gz WWHQKBOGIOZZQS-GXSJLCMTSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(C)Cc1cc[nH]n1 ZINC000353662995 171369779 /nfs/dbraw/zinc/36/97/79/171369779.db2.gz 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412197462 /nfs/dbraw/zinc/19/74/62/412197462.db2.gz ZNJFTVVLEGZITI-LNFKQOIKSA-N 0 3 226.320 0.668 20 0 BCADHN CCCN(CC(=O)N(C)C)C(=O)[C@@H](CC)NC ZINC000662508677 412198789 /nfs/dbraw/zinc/19/87/89/412198789.db2.gz ZGVHUVGOSQRAOH-SNVBAGLBSA-N 0 3 243.351 0.311 20 0 BCADHN NC(=O)CCCNC(=O)C1(N)CC2(CCC2)C1 ZINC000662505789 412198828 /nfs/dbraw/zinc/19/88/28/412198828.db2.gz REWMPOWUFMWZGC-UHFFFAOYSA-N 0 3 239.319 0.030 20 0 BCADHN CCc1ncc(NC(=O)[C@@H](CC)NC)cn1 ZINC000662505461 412199512 /nfs/dbraw/zinc/19/95/12/412199512.db2.gz LKONNIGLWJABMF-SECBINFHSA-N 0 3 222.292 0.976 20 0 BCADHN CC[C@H](NC)C(=O)Nc1cnn(C)c1C ZINC000662532674 412206664 /nfs/dbraw/zinc/20/66/64/412206664.db2.gz CYNJTSWGOHHIOD-QMMMGPOBSA-N 0 3 210.281 0.665 20 0 BCADHN Cc1c(NC(=O)CNC(C)C)cnn1C ZINC000662533285 412207082 /nfs/dbraw/zinc/20/70/82/412207082.db2.gz LGWOGACOUDDURV-UHFFFAOYSA-N 0 3 210.281 0.665 20 0 BCADHN [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000662531009 412207242 /nfs/dbraw/zinc/20/72/42/412207242.db2.gz RFSDIGKCLVQMIJ-DTWKUNHWSA-N 0 3 235.287 0.531 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1nnc2n1CCCC2 ZINC000662539771 412208273 /nfs/dbraw/zinc/20/82/73/412208273.db2.gz JXLWEWVYVUDPFS-MRVPVSSYSA-N 0 3 237.307 0.551 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1cn(C)c(=O)cc1C ZINC000662539084 412208333 /nfs/dbraw/zinc/20/83/33/412208333.db2.gz YYEDYMBDJRXYNS-SECBINFHSA-N 0 3 237.303 0.630 20 0 BCADHN CC(C)NCC(=O)NCc1ncnn1C(C)C ZINC000662545406 412211294 /nfs/dbraw/zinc/21/12/94/412211294.db2.gz GSYZYUIGNIDQEY-UHFFFAOYSA-N 0 3 239.323 0.473 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1c2c(nn1C)CCC2 ZINC000662547480 412211461 /nfs/dbraw/zinc/21/14/61/412211461.db2.gz WCMARPZFXHZRHH-SECBINFHSA-N 0 3 236.319 0.845 20 0 BCADHN CC[C@H](NC)C(=O)Nc1c2c(nn1C)CCC2 ZINC000662547481 412211495 /nfs/dbraw/zinc/21/14/95/412211495.db2.gz WCMARPZFXHZRHH-VIFPVBQESA-N 0 3 236.319 0.845 20 0 BCADHN CN1C[C@H](C(=O)Nc2cccc(CN)c2)NC1=O ZINC000662393204 412143608 /nfs/dbraw/zinc/14/36/08/412143608.db2.gz QSFLMIYDBCUROQ-SNVBAGLBSA-N 0 3 248.286 0.107 20 0 BCADHN CO[C@H]1CC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000662395334 412144520 /nfs/dbraw/zinc/14/45/20/412144520.db2.gz FCPMSRCYAVYULW-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN CO[C@@H]1CC[C@H](C(=O)N2CCCNCC2)C1 ZINC000662395340 412144555 /nfs/dbraw/zinc/14/45/55/412144555.db2.gz FCPMSRCYAVYULW-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)(C(=O)N1CCCNCC1)n1cccn1 ZINC000662396141 412146395 /nfs/dbraw/zinc/14/63/95/412146395.db2.gz QOSGRQAVXNVMRH-UHFFFAOYSA-N 0 3 236.319 0.440 20 0 BCADHN CN(C)C1(CNc2cc(C#N)ncn2)CC1 ZINC000397798459 412152606 /nfs/dbraw/zinc/15/26/06/412152606.db2.gz BZNNAPGCSNWOBI-UHFFFAOYSA-N 0 3 217.276 0.854 20 0 BCADHN CC(C)NCC(=O)NCCNc1cnccn1 ZINC000662408317 412152798 /nfs/dbraw/zinc/15/27/98/412152798.db2.gz OTJGROOUVMVVEX-UHFFFAOYSA-N 0 3 237.307 0.003 20 0 BCADHN CCc1cc(NC(=O)[C@@H](CC)NC)n[nH]1 ZINC000662412232 412155978 /nfs/dbraw/zinc/15/59/78/412155978.db2.gz KDSBRGYDXGJOQX-MRVPVSSYSA-N 0 3 210.281 0.909 20 0 BCADHN C[C@@H]1C[C@H](NCCNc2cnccn2)CO1 ZINC000647191818 412158918 /nfs/dbraw/zinc/15/89/18/412158918.db2.gz BWBXEZIIMQOUHN-ZJUUUORDSA-N 0 3 222.292 0.656 20 0 BCADHN CC[C@@H](NC)C(=O)N[C@H](C)C(=O)N[C@@H](C)CC ZINC000662419512 412161543 /nfs/dbraw/zinc/16/15/43/412161543.db2.gz JBVZXOIFVVFQLK-IVZWLZJFSA-N 0 3 243.351 0.404 20 0 BCADHN CN(C)CCNc1ncc(C(F)F)cn1 ZINC000450207092 412162114 /nfs/dbraw/zinc/16/21/14/412162114.db2.gz BEZYSJRMBCUPKE-UHFFFAOYSA-N 0 3 216.235 1.388 20 0 BCADHN COCCNCCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000662551334 412214028 /nfs/dbraw/zinc/21/40/28/412214028.db2.gz ODFKWPKXSKDRKV-QJPTWQEYSA-N 0 3 240.347 0.775 20 0 BCADHN C[C@@H]1[C@@H](Nc2nccn3cnnc23)CCCN1C ZINC000343451861 412169034 /nfs/dbraw/zinc/16/90/34/412169034.db2.gz PTGJENHRRBONNE-ZJUUUORDSA-N 0 3 246.318 1.019 20 0 BCADHN CC(C)NCC(=O)Nc1ccc[nH]c1=O ZINC000662430220 412169022 /nfs/dbraw/zinc/16/90/22/412169022.db2.gz NNSQQQCIKWDIKI-UHFFFAOYSA-N 0 3 209.249 0.724 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1ccn(CCOC)n1 ZINC000662436061 412173469 /nfs/dbraw/zinc/17/34/69/412173469.db2.gz MQCPESINTONPFN-SECBINFHSA-N 0 3 240.307 0.466 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCO[C@@H]1CC1(F)F ZINC000662646070 412254849 /nfs/dbraw/zinc/25/48/49/412254849.db2.gz MFUXQGONOFDGFE-HTQZYQBOSA-N 0 3 236.262 0.510 20 0 BCADHN CC(C)(N)C(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000335198476 412257086 /nfs/dbraw/zinc/25/70/86/412257086.db2.gz YDDXQMDPICHLCC-UHFFFAOYSA-N 0 3 236.250 1.378 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N(C)C[C@@H]1COCCO1 ZINC000662655924 412258567 /nfs/dbraw/zinc/25/85/67/412258567.db2.gz AIOGWISBQKQUOL-GHMZBOCLSA-N 0 3 244.335 0.234 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)C[C@@H]1COCCO1 ZINC000662656822 412259718 /nfs/dbraw/zinc/25/97/18/412259718.db2.gz HIWNCWQEIXPHSJ-ZYHUDNBSSA-N 0 3 244.335 0.378 20 0 BCADHN CN(CC1=CCCOC1)C(=O)CNC1CC1 ZINC000662661469 412260920 /nfs/dbraw/zinc/26/09/20/412260920.db2.gz CYKHPPDTZYZINP-UHFFFAOYSA-N 0 3 224.304 0.544 20 0 BCADHN C[C@H]1C[C@@H](Nc2cc(C#N)cnn2)CCN1C ZINC000396919216 412267778 /nfs/dbraw/zinc/26/77/78/412267778.db2.gz XEYBHEMKKWWZBP-ONGXEEELSA-N 0 3 231.303 1.243 20 0 BCADHN C[C@H]1C[C@H](Nc2nccn3nnnc23)CCN1C ZINC000531379656 412269899 /nfs/dbraw/zinc/26/98/99/412269899.db2.gz XKHHKHPMGVTRNV-DTWKUNHWSA-N 0 3 247.306 0.414 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N(C)Cc1cn(C)nn1 ZINC000662688438 412271636 /nfs/dbraw/zinc/27/16/36/412271636.db2.gz MQKVKXMXPDMSQB-SNVBAGLBSA-N 0 3 239.323 0.147 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000662689408 412272223 /nfs/dbraw/zinc/27/22/23/412272223.db2.gz GIGGCANBWOSFHX-YWVKMMECSA-N 0 3 212.293 0.219 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000662690220 412272346 /nfs/dbraw/zinc/27/23/46/412272346.db2.gz LAXCYHRMYACICX-GVXVVHGQSA-N 0 3 240.347 0.855 20 0 BCADHN C[C@@]12COC[C@H]1CN(C(=O)C1(N)CCC1)C2 ZINC000662693027 412272967 /nfs/dbraw/zinc/27/29/67/412272967.db2.gz ZNYMOKZOQCGHKE-MWLCHTKSSA-N 0 3 224.304 0.363 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCC(=O)N(C)CC1 ZINC000662695767 412274372 /nfs/dbraw/zinc/27/43/72/412274372.db2.gz PQCOKJGMLLABER-KOLCDFICSA-N 0 3 241.335 0.051 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662709956 412274477 /nfs/dbraw/zinc/27/44/77/412274477.db2.gz DWIAJVHHTZEECD-KXUCPTDWSA-N 0 3 212.293 0.219 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1CCC(=O)N(C)CC1 ZINC000662696180 412274530 /nfs/dbraw/zinc/27/45/30/412274530.db2.gz VWDCGVWORWRISM-SNVBAGLBSA-N 0 3 241.335 0.051 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000662706893 412277437 /nfs/dbraw/zinc/27/74/37/412277437.db2.gz YDSVYTSHYGTIHT-LPEHRKFASA-N 0 3 208.305 0.853 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662709954 412278485 /nfs/dbraw/zinc/27/84/85/412278485.db2.gz DWIAJVHHTZEECD-IVZWLZJFSA-N 0 3 212.293 0.219 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662713535 412280132 /nfs/dbraw/zinc/28/01/32/412280132.db2.gz XFSYQAMPINLXOM-HBNTYKKESA-N 0 3 238.331 0.479 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)c1ncccc1N ZINC000132785687 412283615 /nfs/dbraw/zinc/28/36/15/412283615.db2.gz OWBFHDWLMVVOII-SNVBAGLBSA-N 0 3 248.330 0.830 20 0 BCADHN C[C@@H](NC[C@@H]1CCC(=O)N1)c1cnccc1N ZINC000665274839 412216902 /nfs/dbraw/zinc/21/69/02/412216902.db2.gz ZKIDRNAQRVOQPX-BDAKNGLRSA-N 0 3 234.303 0.423 20 0 BCADHN CC(C)Cc1cc(NC(=O)[C@@H](C)N)n[nH]1 ZINC000563092823 412287674 /nfs/dbraw/zinc/28/76/74/412287674.db2.gz MGWCVJNFPCYIFA-SSDOTTSWSA-N 0 3 210.281 0.894 20 0 BCADHN CC(C)NCC(=O)N1CCC([C@@H](C)CO)CC1 ZINC000662584957 412230383 /nfs/dbraw/zinc/23/03/83/412230383.db2.gz SCROPXHRLPPZPN-NSHDSACASA-N 0 3 242.363 0.851 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)[C@@H]1NCC1(C)C ZINC000662585548 412230754 /nfs/dbraw/zinc/23/07/54/412230754.db2.gz JXKNURNBBFBBLW-VIFPVBQESA-N 0 3 222.292 0.366 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)Cc1c[nH]cn1 ZINC000662586639 412230943 /nfs/dbraw/zinc/23/09/43/412230943.db2.gz XQIIOZUXIVMJDD-SECBINFHSA-N 0 3 210.281 0.351 20 0 BCADHN NC1(C(=O)NCC2(CO)CC2)CC2(CCC2)C1 ZINC000662592253 412233874 /nfs/dbraw/zinc/23/38/74/412233874.db2.gz IKFJUQASZWEERK-UHFFFAOYSA-N 0 3 238.331 0.537 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](C)c1ccccn1 ZINC000662604646 412235866 /nfs/dbraw/zinc/23/58/66/412235866.db2.gz FVLMNAPUUNLACM-ZJUUUORDSA-N 0 3 221.304 0.909 20 0 BCADHN CO[C@@H](CNC(=O)[C@H](N)C(C)C)[C@H]1CCOC1 ZINC000662616548 412243151 /nfs/dbraw/zinc/24/31/51/412243151.db2.gz LRFSTUKAVFUUJM-GARJFASQSA-N 0 3 244.335 0.137 20 0 BCADHN CN1CCC(Nc2nccn3nnnc23)CC1 ZINC000531140937 412245848 /nfs/dbraw/zinc/24/58/48/412245848.db2.gz JILLQDINOKGXRR-UHFFFAOYSA-N 0 3 233.279 0.025 20 0 BCADHN CC(C)Cc1cc(NC(=O)[C@H](N)C(C)C)n[nH]1 ZINC000646426164 412288205 /nfs/dbraw/zinc/28/82/05/412288205.db2.gz PBQFQQKUGYELGI-LLVKDONJSA-N 0 3 238.335 1.530 20 0 BCADHN CN1CCC[C@@H]1CNc1nccn2nnnc12 ZINC000531145065 412252395 /nfs/dbraw/zinc/25/23/95/412252395.db2.gz IMQJMLXXLXRQDL-MRVPVSSYSA-N 0 3 233.279 0.025 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000662640721 412253803 /nfs/dbraw/zinc/25/38/03/412253803.db2.gz UNUQSYHAVZYXLY-ZMLRMANQSA-N 0 3 226.320 0.609 20 0 BCADHN CN1CCN(CCCCNc2cccnn2)CC1 ZINC000561122630 412253937 /nfs/dbraw/zinc/25/39/37/412253937.db2.gz SRRWYOOPCHWOSE-UHFFFAOYSA-N 0 3 249.362 0.916 20 0 BCADHN CN1CCN(CCNc2cccnn2)CC1(C)C ZINC000516753564 412254065 /nfs/dbraw/zinc/25/40/65/412254065.db2.gz QSLRVIPDTVIZNL-UHFFFAOYSA-N 0 3 249.362 0.915 20 0 BCADHN C[C@H](CNC(=O)C1(N)CC1)c1ccccn1 ZINC000662843621 412318803 /nfs/dbraw/zinc/31/88/03/412318803.db2.gz UCNAXDCMDUONMH-SECBINFHSA-N 0 3 219.288 0.793 20 0 BCADHN CNCC(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000663000788 412366655 /nfs/dbraw/zinc/36/66/55/412366655.db2.gz MJNLYMMYPKIKOH-XVKPBYJWSA-N 0 3 236.262 0.477 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@H](CO)C1CCC1 ZINC000662848929 412320630 /nfs/dbraw/zinc/32/06/30/412320630.db2.gz HWEULQXHZUJJBD-GHMZBOCLSA-N 0 3 228.336 0.637 20 0 BCADHN O=C(NCCCCO)[C@H]1CNCCC1(F)F ZINC000662853691 412324383 /nfs/dbraw/zinc/32/43/83/412324383.db2.gz UCLSJNYOWLOPEC-MRVPVSSYSA-N 0 3 236.262 0.120 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC/C=C/CO ZINC000662854511 412324414 /nfs/dbraw/zinc/32/44/14/412324414.db2.gz CENXINZVEOAAHY-NWALNABHSA-N 0 3 200.282 0.025 20 0 BCADHN N[C@H](CC(=O)NC/C=C/CO)c1ccccc1 ZINC000662856433 412325135 /nfs/dbraw/zinc/32/51/35/412325135.db2.gz TVUQDWBMIDDLJW-ZYOFXKKJSA-N 0 3 234.299 0.741 20 0 BCADHN N[C@@H](CC(=O)NC/C=C\CO)c1ccccc1 ZINC000662856432 412325694 /nfs/dbraw/zinc/32/56/94/412325694.db2.gz TVUQDWBMIDDLJW-RXNFCKPNSA-N 0 3 234.299 0.741 20 0 BCADHN NC1(C(=O)NC/C=C\CO)CCCCC1 ZINC000662856153 412325969 /nfs/dbraw/zinc/32/59/69/412325969.db2.gz NLRSVNFUGMDNNN-PLNGDYQASA-N 0 3 212.293 0.313 20 0 BCADHN NC1(C(=O)NC/C=C/CO)CC2(CCC2)C1 ZINC000662857463 412326654 /nfs/dbraw/zinc/32/66/54/412326654.db2.gz BEBIIQPOSQJCAM-OWOJBTEDSA-N 0 3 224.304 0.313 20 0 BCADHN O=C(C[C@H]1NCc2ccccc21)NC/C=C/CO ZINC000662858285 412327378 /nfs/dbraw/zinc/32/73/78/412327378.db2.gz GCGWWXOSGQMVLK-ITDFMYJTSA-N 0 3 246.310 0.886 20 0 BCADHN NC1(C(=O)NCCO[C@@H]2CC2(F)F)CCCC1 ZINC000662861405 412327818 /nfs/dbraw/zinc/32/78/18/412327818.db2.gz DNOZOUNTKKTVBG-MRVPVSSYSA-N 0 3 248.273 0.798 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000663001297 412366986 /nfs/dbraw/zinc/36/69/86/412366986.db2.gz AOSQJVZBDIULJA-XCBNKYQSSA-N 0 3 236.262 0.606 20 0 BCADHN NCC(=O)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000662884970 412334283 /nfs/dbraw/zinc/33/42/83/412334283.db2.gz WMSYVOCSEYGKGH-LLVKDONJSA-N 0 3 238.262 0.684 20 0 BCADHN C[C@@]12COC[C@H]1CN(C(=O)C1(N)CCCC1)C2 ZINC000662879949 412334459 /nfs/dbraw/zinc/33/44/59/412334459.db2.gz HBFNSTHJXCIEBO-ZYHUDNBSSA-N 0 3 238.331 0.753 20 0 BCADHN CN(Cc1cn(C)nn1)C(=O)[C@@H](N)C(C)(C)C ZINC000662884406 412335230 /nfs/dbraw/zinc/33/52/30/412335230.db2.gz TWBNMCOSSAZHFU-SECBINFHSA-N 0 3 239.323 0.147 20 0 BCADHN NCC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000662890075 412337449 /nfs/dbraw/zinc/33/74/49/412337449.db2.gz OYJOBFYBJXAURL-WDEREUQCSA-N 0 3 226.320 0.753 20 0 BCADHN Cc1cncc(CCNC(=O)[C@H]2CCCCN2)n1 ZINC000662889747 412337628 /nfs/dbraw/zinc/33/76/28/412337628.db2.gz JOCWAJKETHHSBM-GFCCVEGCSA-N 0 3 248.330 0.586 20 0 BCADHN CC(F)(F)CNC(=O)[C@@H](N)CC(F)F ZINC000662897379 412338856 /nfs/dbraw/zinc/33/88/56/412338856.db2.gz FVQWAZZOEFCUOV-BYPYZUCNSA-N 0 3 216.178 0.740 20 0 BCADHN CCn1ccnc1[C@@H](C)NC(=O)C(C)(C)N ZINC000662899250 412339537 /nfs/dbraw/zinc/33/95/37/412339537.db2.gz FBIBTADFDZFELA-MRVPVSSYSA-N 0 3 224.308 0.818 20 0 BCADHN CN1CCC(NC(=O)CCCF)CC1 ZINC000665508799 412340253 /nfs/dbraw/zinc/34/02/53/412340253.db2.gz MCHBCBJWOBZGON-UHFFFAOYSA-N 0 3 202.273 0.947 20 0 BCADHN O=C(CNC1CC1)N1CC[C@@]2(C1)CCCOC2 ZINC000662910441 412342131 /nfs/dbraw/zinc/34/21/31/412342131.db2.gz OJKNQICRTFVTEW-CYBMUJFWSA-N 0 3 238.331 0.768 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000662908378 412342665 /nfs/dbraw/zinc/34/26/65/412342665.db2.gz UERWNOWFNJWLHV-MWLCHTKSSA-N 0 3 212.293 0.363 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000662908376 412342820 /nfs/dbraw/zinc/34/28/20/412342820.db2.gz UERWNOWFNJWLHV-KOLCDFICSA-N 0 3 212.293 0.363 20 0 BCADHN CCCCc1cc(NC(=O)[C@@H](N)CC)n[nH]1 ZINC000574569868 412345247 /nfs/dbraw/zinc/34/52/47/412345247.db2.gz CGZIMPPCHKWAQF-VIFPVBQESA-N 0 3 224.308 1.428 20 0 BCADHN CCN1CCC(NC(=O)[C@H](O)C2CC2)CC1 ZINC000665530070 412347921 /nfs/dbraw/zinc/34/79/21/412347921.db2.gz BERKYUKRHRNJIB-LLVKDONJSA-N 0 3 226.320 0.358 20 0 BCADHN O=C(Nc1cc(-c2ccncc2)[nH]n1)[C@H]1CCN1 ZINC000577606919 412348102 /nfs/dbraw/zinc/34/81/02/412348102.db2.gz SFSSEZUMPVOOGL-SECBINFHSA-N 0 3 243.270 0.772 20 0 BCADHN O=C([C@@H]1CCCCN1)N1CCc2nccnc2C1 ZINC000662929709 412348342 /nfs/dbraw/zinc/34/83/42/412348342.db2.gz GDQRDXITYWZSOZ-NSHDSACASA-N 0 3 246.314 0.503 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)c1nccn1C ZINC000662935210 412349966 /nfs/dbraw/zinc/34/99/66/412349966.db2.gz TUGYISZNHBIEPF-HTQZYQBOSA-N 0 3 210.281 0.335 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCOCCF ZINC000663005809 412367642 /nfs/dbraw/zinc/36/76/42/412367642.db2.gz XNIWYXWTGXXMHW-MRVPVSSYSA-N 0 3 206.261 0.072 20 0 BCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C2CC=CC2)n1 ZINC000662945970 412350758 /nfs/dbraw/zinc/35/07/58/412350758.db2.gz LJRNCTNDZRVOIK-UHFFFAOYSA-N 0 3 248.286 0.223 20 0 BCADHN Cc1c[nH]cc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662945059 412350973 /nfs/dbraw/zinc/35/09/73/412350973.db2.gz ZABSYXSJXGUTSS-NXEZZACHSA-N 0 3 225.267 0.834 20 0 BCADHN N[C@@H]1CN(C(=O)Cc2cscn2)CC[C@H]1F ZINC000662945521 412351147 /nfs/dbraw/zinc/35/11/47/412351147.db2.gz QMXXANZDDGBLHE-RKDXNWHRSA-N 0 3 243.307 0.583 20 0 BCADHN COC(=O)c1nccnc1NC[C@@H](C)N(C)C ZINC000591896588 412351349 /nfs/dbraw/zinc/35/13/49/412351349.db2.gz QYUCRTBWFUQJOP-MRVPVSSYSA-N 0 3 238.291 0.625 20 0 BCADHN NCC(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662956443 412353572 /nfs/dbraw/zinc/35/35/72/412353572.db2.gz XSIYSWTVYHVQRH-LURJTMIESA-N 0 3 226.198 0.125 20 0 BCADHN Cc1cc(NC(=O)CNC2CC2)nn1C(C)C ZINC000567674584 412353712 /nfs/dbraw/zinc/35/37/12/412353712.db2.gz RLNNUVPZABSDBS-UHFFFAOYSA-N 0 3 236.319 1.463 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000662955836 412353744 /nfs/dbraw/zinc/35/37/44/412353744.db2.gz VIXZGSMXDARLDP-NKWVEPMBSA-N 0 3 240.225 0.513 20 0 BCADHN COCCN1CCC(Nc2nnc(C)o2)CC1 ZINC000341841717 412367941 /nfs/dbraw/zinc/36/79/41/412367941.db2.gz NXHPOLCTWFODEV-UHFFFAOYSA-N 0 3 240.307 0.901 20 0 BCADHN CCO[C@H]1C[C@@H]1C(=O)NC[C@H](C)N(C)C ZINC000665548729 412358617 /nfs/dbraw/zinc/35/86/17/412358617.db2.gz YYLFNFFUIJYHHH-GUBZILKMSA-N 0 3 214.309 0.478 20 0 BCADHN COCCCN(C)CCNc1ncncc1C ZINC000641397940 412358776 /nfs/dbraw/zinc/35/87/76/412358776.db2.gz MVGIADIWLDSGTH-UHFFFAOYSA-N 0 3 238.335 1.165 20 0 BCADHN CCO[C@H]1C[C@H]1C(=O)NC[C@H](C)N(C)C ZINC000665548728 412358998 /nfs/dbraw/zinc/35/89/98/412358998.db2.gz YYLFNFFUIJYHHH-AEJSXWLSSA-N 0 3 214.309 0.478 20 0 BCADHN Cc1cn(C)nc1NC(=O)[C@H](N)C(C)C ZINC000662970488 412360314 /nfs/dbraw/zinc/36/03/14/412360314.db2.gz KHTWPRJRXIXPOP-MRVPVSSYSA-N 0 3 210.281 0.650 20 0 BCADHN Cc1cc(C(=O)NC[C@H](C)N(C)C)c(C)nn1 ZINC000665551082 412360530 /nfs/dbraw/zinc/36/05/30/412360530.db2.gz PPYXSTFKMZNCTG-VIFPVBQESA-N 0 3 236.319 0.773 20 0 BCADHN Cc1cn(C)nc1NC(=O)CNCC1CC1 ZINC000662970647 412360751 /nfs/dbraw/zinc/36/07/51/412360751.db2.gz NZTVEIXNPVQSDX-UHFFFAOYSA-N 0 3 222.292 0.667 20 0 BCADHN Cc1cn(C)nc1NC(=O)[C@H](N)C1CCC1 ZINC000662970831 412360949 /nfs/dbraw/zinc/36/09/49/412360949.db2.gz QPGLXXYELRQNJG-SECBINFHSA-N 0 3 222.292 0.794 20 0 BCADHN CN(C(=O)c1ccc[nH]1)[C@H](CN)C(F)(F)F ZINC000662977108 412361253 /nfs/dbraw/zinc/36/12/53/412361253.db2.gz JBVZLENOKYZQNG-SSDOTTSWSA-N 0 3 235.209 0.976 20 0 BCADHN CN(CCO)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665554448 412361631 /nfs/dbraw/zinc/36/16/31/412361631.db2.gz MFQDTSLKVMZYFZ-SNVBAGLBSA-N 0 3 243.351 0.493 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccnc2cc(C)nn21 ZINC000662989922 412364215 /nfs/dbraw/zinc/36/42/15/412364215.db2.gz AKYWXJVYMONWEY-QMMMGPOBSA-N 0 3 233.275 0.584 20 0 BCADHN N[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC[C@H]1F ZINC000662747902 412289735 /nfs/dbraw/zinc/28/97/35/412289735.db2.gz GFZPNMMNFVXVLR-QGKZMRNZSA-N 0 3 226.295 0.930 20 0 BCADHN CCn1cnc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000662749726 412291985 /nfs/dbraw/zinc/29/19/85/412291985.db2.gz PBSXFPKWFGSDNF-RKDXNWHRSA-N 0 3 240.282 0.414 20 0 BCADHN Cn1ncc2c1CCCN(C(=O)C(C)(C)N)C2 ZINC000662760725 412292850 /nfs/dbraw/zinc/29/28/50/412292850.db2.gz KOMGEHYADBKPMB-UHFFFAOYSA-N 0 3 236.319 0.432 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1cscn1 ZINC000662763666 412293381 /nfs/dbraw/zinc/29/33/81/412293381.db2.gz CIOGOHUAQFZZBF-DTWKUNHWSA-N 0 3 239.344 0.894 20 0 BCADHN CC[C@H](N)C(=O)N1CCCc2c(cnn2C)C1 ZINC000662761720 412294020 /nfs/dbraw/zinc/29/40/20/412294020.db2.gz XZFAGWRYDDQXMH-JTQLQIEISA-N 0 3 236.319 0.432 20 0 BCADHN NCC(F)(F)CNC(=O)C1(NC2CC2)CCC1 ZINC000662766598 412296104 /nfs/dbraw/zinc/29/61/04/412296104.db2.gz KUFWSYOQIBEATJ-UHFFFAOYSA-N 0 3 247.289 0.371 20 0 BCADHN Cc1nccnc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000662776110 412299114 /nfs/dbraw/zinc/29/91/14/412299114.db2.gz UYFPKSYWIVFSPB-SCZZXKLOSA-N 0 3 234.303 0.607 20 0 BCADHN C[C@]1(NC(=O)c2ccc3n[n-]nc3c2)CC[NH2+]C1 ZINC000663010904 412369998 /nfs/dbraw/zinc/36/99/98/412369998.db2.gz LYZSPMBGQDPXLE-LBPRGKRZSA-N 0 3 245.286 0.440 20 0 BCADHN O=C(Nc1ccn(CC(F)(F)F)n1)[C@H]1CCN1 ZINC000514597532 412370410 /nfs/dbraw/zinc/37/04/10/412370410.db2.gz TXDCKFPINQINEK-ZCFIWIBFSA-N 0 3 248.208 0.746 20 0 BCADHN Cc1cc(NC(=O)N[C@H](C)CN(C)C)nn1C ZINC000350091340 412372944 /nfs/dbraw/zinc/37/29/44/412372944.db2.gz WHRBQETYUFTNJW-MRVPVSSYSA-N 0 3 239.323 0.800 20 0 BCADHN CC1(C)CN(C(=O)C2(N)CC2)[C@@H]1[C@H]1CCCO1 ZINC000663023477 412373707 /nfs/dbraw/zinc/37/37/07/412373707.db2.gz XEUJCDALJYGEHE-NXEZZACHSA-N 0 3 238.331 0.894 20 0 BCADHN C[C@@H](O)CN1CCN(Cc2cn[nH]c2)[C@@H](C)C1 ZINC000671308140 487623439 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CCn1cc(CNCCC(=O)NC(C)C)cn1 ZINC000134641414 172170591 /nfs/dbraw/zinc/17/05/91/172170591.db2.gz ZMUDIPJGZVZHGZ-UHFFFAOYSA-N 0 3 238.335 0.907 20 0 BCADHN CCn1cc(CNC[C@H]2CC[C@H](CO)O2)cn1 ZINC000353713161 172172924 /nfs/dbraw/zinc/17/29/24/172172924.db2.gz VVEUZBFPBSGWTB-VXGBXAGGSA-N 0 3 239.319 0.533 20 0 BCADHN CCn1cc(CN[C@H](C)C[S@@](C)=O)cn1 ZINC000164316125 172173339 /nfs/dbraw/zinc/17/33/39/172173339.db2.gz AGYBHUHAFNJKKM-PSLIRLAXSA-N 0 3 229.349 0.760 20 0 BCADHN CCn1cc(CN[C@@H](CO)CCOC)cn1 ZINC000282145086 172173654 /nfs/dbraw/zinc/17/36/54/172173654.db2.gz HFJHDPVOCUBZRU-LLVKDONJSA-N 0 3 227.308 0.390 20 0 BCADHN CCn1cc(NC(=O)C(C)(C)N)ccc1=O ZINC000040922792 172177703 /nfs/dbraw/zinc/17/77/03/172177703.db2.gz WLQWWHXLXBFFEN-UHFFFAOYSA-N 0 3 223.276 0.544 20 0 BCADHN CCn1cc(NC(=O)N(C)CCN(C)C)cn1 ZINC000176364411 172179097 /nfs/dbraw/zinc/17/90/97/172179097.db2.gz SEYKHCDETJFXMU-UHFFFAOYSA-N 0 3 239.323 0.928 20 0 BCADHN CCn1cc([C@@H](C)NC[C@@H](O)COC)cn1 ZINC000070589442 172192429 /nfs/dbraw/zinc/19/24/29/172192429.db2.gz AALZUSAQTMDZIM-MWLCHTKSSA-N 0 3 227.308 0.561 20 0 BCADHN CCn1cc([C@@H](C)NC[C@H](O)COC)cn1 ZINC000070589440 172192533 /nfs/dbraw/zinc/19/25/33/172192533.db2.gz AALZUSAQTMDZIM-KOLCDFICSA-N 0 3 227.308 0.561 20 0 BCADHN CCn1cc([C@@H](C)NC[C@]2(O)CCOC2)cn1 ZINC000181731407 172195035 /nfs/dbraw/zinc/19/50/35/172195035.db2.gz FGIRAMJGGFXDOI-ZYHUDNBSSA-N 0 3 239.319 0.705 20 0 BCADHN CCn1cc([C@H](C)N[C@H](CO)CCOC)cn1 ZINC000281648388 172197019 /nfs/dbraw/zinc/19/70/19/172197019.db2.gz PMJGYNLCXAPCBS-JQWIXIFHSA-N 0 3 241.335 0.951 20 0 BCADHN CCn1cc([C@H](C)NC[C@]2(O)CCOC2)cn1 ZINC000181731429 172197305 /nfs/dbraw/zinc/19/73/05/172197305.db2.gz FGIRAMJGGFXDOI-CMPLNLGQSA-N 0 3 239.319 0.705 20 0 BCADHN CCn1cnnc1CNC(=O)[C@@H]1CCCCN1 ZINC000226391087 172235503 /nfs/dbraw/zinc/23/55/03/172235503.db2.gz WADWAPNZKWPUIY-VIFPVBQESA-N 0 3 237.307 0.056 20 0 BCADHN CCn1nc(C)c(C(=O)N(C)CCN(C)C)n1 ZINC000293365221 172242862 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CCCn1nccc1CN[C@@H](C)CC(N)=O ZINC000164871698 487624638 /nfs/dbraw/zinc/62/46/38/487624638.db2.gz NUVGOXDSRAAJLW-VIFPVBQESA-N 0 3 224.308 0.647 20 0 BCADHN CN(C(=O)C(C)(C)N)[C@@H]1CCN(C2CC2)C1 ZINC000336598378 172295505 /nfs/dbraw/zinc/29/55/05/172295505.db2.gz RIKZEWQJLDNUKS-SNVBAGLBSA-N 0 3 225.336 0.419 20 0 BCADHN CN(C(=O)CN[C@@H]1CCOC1(C)C)C1CC1 ZINC000336900907 172310019 /nfs/dbraw/zinc/31/00/19/172310019.db2.gz SDAWIZHSYQNULV-SNVBAGLBSA-N 0 3 226.320 0.764 20 0 BCADHN CN(C(=O)NC[C@H]1CCCN1C)C1CC1 ZINC000114944890 172320864 /nfs/dbraw/zinc/32/08/64/172320864.db2.gz UNEXSQIUGOKUMR-SNVBAGLBSA-N 0 3 211.309 0.884 20 0 BCADHN CN(C(=O)[C@@]1(C)CCCCN1)[C@@H]1CCOC1 ZINC000127549264 172331938 /nfs/dbraw/zinc/33/19/38/172331938.db2.gz FONZWAMEGFYCRN-ZYHUDNBSSA-N 0 3 226.320 0.766 20 0 BCADHN CN(C(=O)[C@H](CN)c1ccccc1)[C@@H]1CCOC1 ZINC000158720296 172331981 /nfs/dbraw/zinc/33/19/81/172331981.db2.gz CVPLUOQNSCCEBE-CHWSQXEVSA-N 0 3 248.326 0.976 20 0 BCADHN 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173286767 /nfs/dbraw/zinc/28/67/67/173286767.db2.gz ASZWLANVINNKIZ-SNVBAGLBSA-N 0 3 241.335 0.953 20 0 BCADHN CNC(=O)NC(=O)CNC1(C(C)C)CC1 ZINC000331766318 173287862 /nfs/dbraw/zinc/28/78/62/173287862.db2.gz PAKMYEKMTJHNBR-UHFFFAOYSA-N 0 3 213.281 0.220 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1CCC(C)CC1 ZINC000007446649 173287945 /nfs/dbraw/zinc/28/79/45/173287945.db2.gz FHWZAXXASVJZNA-VIFPVBQESA-N 0 3 227.308 0.562 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)SCCN(C)C ZINC000120228970 173287954 /nfs/dbraw/zinc/28/79/54/173287954.db2.gz IFWFQBRURDUIKH-SSDOTTSWSA-N 0 3 233.337 0.125 20 0 BCADHN CNC(=O)N[C@@H]1CCN(CC2(O)CCCC2)C1 ZINC000334150714 173291895 /nfs/dbraw/zinc/29/18/95/173291895.db2.gz NMLLHNUWOPYAMY-SNVBAGLBSA-N 0 3 241.335 0.295 20 0 BCADHN CNC(=O)N[C@@H]1CCN(CCC[C@H](C)O)C1 ZINC000355287069 173291899 /nfs/dbraw/zinc/29/18/99/173291899.db2.gz WHYMQTJBHZRTJQ-VHSXEESVSA-N 0 3 229.324 0.151 20 0 BCADHN CNC(=O)N[C@H]1CCN(CCOC2CCC2)C1 ZINC000332022514 173292338 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/nfs/dbraw/zinc/29/68/84/173296884.db2.gz PFYWOUQTUJVLHV-NSHDSACASA-N 0 3 223.320 0.885 20 0 BCADHN CNC(=O)[C@@H](NC[C@@H](C)OC)C(C)C ZINC000182436504 173297039 /nfs/dbraw/zinc/29/70/39/173297039.db2.gz SNMBTTZHCCTWIL-BDAKNGLRSA-N 0 3 202.298 0.382 20 0 BCADHN CNC(=O)[C@@H]1CCCN(CCCC(=O)OC)C1 ZINC000116400455 173297511 /nfs/dbraw/zinc/29/75/11/173297511.db2.gz WLKMFSYEEDJJLD-SNVBAGLBSA-N 0 3 242.319 0.398 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@H](O)C(C)C ZINC000340284574 173298954 /nfs/dbraw/zinc/29/89/54/173298954.db2.gz ABRDQQPTFPNTDU-UWVGGRQHSA-N 0 3 214.309 0.214 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@@H]1CCOC1 ZINC000336327492 173299128 /nfs/dbraw/zinc/29/91/28/173299128.db2.gz QHITZTGJWFRSPG-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CCCCOC ZINC000117874305 173299190 /nfs/dbraw/zinc/29/91/90/173299190.db2.gz GWZMHNYWFMNYKY-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000377876560 173300699 /nfs/dbraw/zinc/30/06/99/173300699.db2.gz 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COCC[C@@H](N)C(=O)N1CCCSCC1 ZINC000052810051 174392267 /nfs/dbraw/zinc/39/22/67/174392267.db2.gz HAXLOKOAADFPTO-SECBINFHSA-N 0 3 232.349 0.316 20 0 BCADHN COC[C@@H](C)CNC(=O)N[C@H](C)CN(C)C ZINC000353542702 174441057 /nfs/dbraw/zinc/44/10/57/174441057.db2.gz NEXUWZYJFNLXRA-VHSXEESVSA-N 0 3 231.340 0.518 20 0 BCADHN COC[C@H](O)CCN[C@H](C)c1cnn(C)c1 ZINC000090949959 174589327 /nfs/dbraw/zinc/58/93/27/174589327.db2.gz VKQDRZIWYKKHSH-MWLCHTKSSA-N 0 3 227.308 0.468 20 0 BCADHN COC[C@H](O)CNCc1cnc(C)s1 ZINC000070558811 174598145 /nfs/dbraw/zinc/59/81/45/174598145.db2.gz RPNFZGGHVBLQFL-MRVPVSSYSA-N 0 3 216.306 0.548 20 0 BCADHN COC[C@](C)(CCO)NCC1=CCCOC1 ZINC000124804374 174614666 /nfs/dbraw/zinc/61/46/66/174614666.db2.gz ZYCIAJPECFAGKY-LBPRGKRZSA-N 0 3 229.320 0.710 20 0 BCADHN CO[C@@](C)(C(=O)NCCN(C)C)C1CC1 ZINC000359856514 174787778 /nfs/dbraw/zinc/78/77/78/174787778.db2.gz ZJUGXOARRGLLCH-LLVKDONJSA-N 0 3 214.309 0.479 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2ccon2)C1 ZINC000674828832 487629314 /nfs/dbraw/zinc/62/93/14/487629314.db2.gz RHCTVNQIQUJWJL-PSASIEDQSA-N 0 3 223.276 0.745 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H](C)CC(C)(C)OC ZINC000352941550 174858111 /nfs/dbraw/zinc/85/81/11/174858111.db2.gz IQYRMQFXMRPOPX-DTWKUNHWSA-N 0 3 232.324 0.280 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@H](OC)C(C)(C)C ZINC000353008099 174858133 /nfs/dbraw/zinc/85/81/33/174858133.db2.gz CDQUIIBYXWHAOD-BDAKNGLRSA-N 0 3 232.324 0.137 20 0 BCADHN CO[C@H]1CCCN(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000358499185 174877051 /nfs/dbraw/zinc/87/70/51/174877051.db2.gz LIXGWZTURUCSFO-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN CO[C@H]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1N ZINC000331876121 174883102 /nfs/dbraw/zinc/88/31/02/174883102.db2.gz KMNXUBGHBOTJSF-JXUBOQSCSA-N 0 3 212.293 0.265 20 0 BCADHN COc1ccc(CN2CC[C@@H](CC(N)=O)C2)nc1 ZINC000367987574 175102373 /nfs/dbraw/zinc/10/23/73/175102373.db2.gz FWUWRKNBUBNFQN-JTQLQIEISA-N 0 3 249.314 0.788 20 0 BCADHN COc1ccc(CNCCCO)cc1O ZINC000020187781 175106631 /nfs/dbraw/zinc/10/66/31/175106631.db2.gz PBBGDXSWRNVSLA-UHFFFAOYSA-N 0 3 211.261 0.873 20 0 BCADHN COc1ccc(CNC[C@@H](C)O)cc1O ZINC000032012472 175107262 /nfs/dbraw/zinc/10/72/62/175107262.db2.gz PNHWALUPPRZNHY-MRVPVSSYSA-N 0 3 211.261 0.871 20 0 BCADHN COc1ccc(NC(=O)[C@@H]2C[C@@H]2N)c(OC)c1 ZINC000050457150 175145638 /nfs/dbraw/zinc/14/56/38/175145638.db2.gz WQXANALHDIJBLH-BDAKNGLRSA-N 0 3 236.271 0.990 20 0 BCADHN COc1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000142558510 175146901 /nfs/dbraw/zinc/14/69/01/175146901.db2.gz RNNKCALDDOZDRO-SNVBAGLBSA-N 0 3 206.245 0.996 20 0 BCADHN COc1ccc(OC)c(CNC(=O)[C@H](C)N)c1 ZINC000040856807 175165096 /nfs/dbraw/zinc/16/50/96/175165096.db2.gz GAVUVCYIXMZMJI-QMMMGPOBSA-N 0 3 238.287 0.667 20 0 BCADHN COc1ccc([C@@H](O)CNC(=O)[C@H](C)N)cc1 ZINC000195172615 175180636 /nfs/dbraw/zinc/18/06/36/175180636.db2.gz GAGYIRODMLOXPS-KWQFWETISA-N 0 3 238.287 0.192 20 0 BCADHN COc1ccc2c(c1)OCC[C@H]2NC(=O)CN ZINC000378174000 175212451 /nfs/dbraw/zinc/21/24/51/175212451.db2.gz IBAZMFFFEITJOT-SNVBAGLBSA-N 0 3 236.271 0.594 20 0 BCADHN COc1cccc(C(=O)NCC[C@@H](C)[NH3+])c1[O-] ZINC000063170501 175245525 /nfs/dbraw/zinc/24/55/25/175245525.db2.gz WSUHZDUGPCBAMZ-MRVPVSSYSA-N 0 3 238.287 0.868 20 0 BCADHN COc1cccc(CCNC(=O)CN)c1 ZINC000011956752 175253041 /nfs/dbraw/zinc/25/30/41/175253041.db2.gz HBNIRWGEBCHYQV-UHFFFAOYSA-N 0 3 208.261 0.313 20 0 BCADHN COc1cccc(CNC[C@@H](O)C2CC2)n1 ZINC000069637659 175264089 /nfs/dbraw/zinc/26/40/89/175264089.db2.gz ATWZDRZUHKMXNZ-LLVKDONJSA-N 0 3 222.288 0.951 20 0 BCADHN COc1cccc(CNCCc2ncn(C)n2)n1 ZINC000128201359 175264808 /nfs/dbraw/zinc/26/48/08/175264808.db2.gz UZAAQQZXXFTVKU-UHFFFAOYSA-N 0 3 247.302 0.551 20 0 BCADHN COc1cccc(F)c1[C@@H](C)NC(=O)CN ZINC000237282128 175274357 /nfs/dbraw/zinc/27/43/57/175274357.db2.gz MYHDYSLYFPWZED-SSDOTTSWSA-N 0 3 226.251 0.970 20 0 BCADHN COc1cccc(O[C@@H](C)CNC(=O)CN)c1 ZINC000083365716 175283787 /nfs/dbraw/zinc/28/37/87/175283787.db2.gz BGDJCISCIYYDOP-VIFPVBQESA-N 0 3 238.287 0.537 20 0 BCADHN COc1cccc([C@H](C)NC(=O)CN)c1 ZINC000037765048 175292677 /nfs/dbraw/zinc/29/26/77/175292677.db2.gz ROJWYIOKJKQVJX-QMMMGPOBSA-N 0 3 208.261 0.831 20 0 BCADHN COc1ccnc(CN2CC[C@](C)(C(N)=O)C2)c1 ZINC000280843870 175359746 /nfs/dbraw/zinc/35/97/46/175359746.db2.gz XLNLFAHYLYYUMM-ZDUSSCGKSA-N 0 3 249.314 0.788 20 0 BCADHN COc1ccncc1NC(=O)[C@@]1(F)CCNC1 ZINC000366331294 175374783 /nfs/dbraw/zinc/37/47/83/175374783.db2.gz VCAKBHZQQIEHTP-LLVKDONJSA-N 0 3 239.250 0.730 20 0 BCADHN COc1cncc(C(=O)NC[C@H](C)N(C)C)n1 ZINC000276575402 175383321 /nfs/dbraw/zinc/38/33/21/175383321.db2.gz MLPCADCIBNFTPX-QMMMGPOBSA-N 0 3 238.291 0.165 20 0 BCADHN CSCC[C@H](N)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000040457836 175507024 /nfs/dbraw/zinc/50/70/24/175507024.db2.gz HQYGPUWMVVIVGL-BBBLOLIVSA-N 0 3 246.376 0.703 20 0 BCADHN CSC[C@H](C)NC(=O)/C=C/CN(C)C ZINC000265687811 175521876 /nfs/dbraw/zinc/52/18/76/175521876.db2.gz MCEFDYFCXFWXRK-CYNONHLPSA-N 0 3 216.350 0.972 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC[C@@H](O)CC1 ZINC000335759403 175599730 /nfs/dbraw/zinc/59/97/30/175599730.db2.gz ALHARVRBZFXKFG-VHSXEESVSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@@H](N[C@@H](C)CC(N)=O)c1ccccn1 ZINC000135808303 175654034 /nfs/dbraw/zinc/65/40/34/175654034.db2.gz JDOQFPMJZRUTFS-DTWKUNHWSA-N 0 3 207.277 0.996 20 0 BCADHN C[C@@H](C[C@H](O)c1ccccc1)NC(=O)CN ZINC000237499785 175767600 /nfs/dbraw/zinc/76/76/00/175767600.db2.gz KYCHJFHIWDZBDY-ONGXEEELSA-N 0 3 222.288 0.574 20 0 BCADHN C[C@@H](Cc1ccc(O)cc1)NC1(C(N)=O)CC1 ZINC000352890101 175771793 /nfs/dbraw/zinc/77/17/93/175771793.db2.gz ZWQZXSMFKJHPMZ-VIFPVBQESA-N 0 3 234.299 0.931 20 0 BCADHN C[C@@H](Cn1c(=O)onc1-c1cnccn1)N(C)C ZINC000331083115 175778874 /nfs/dbraw/zinc/77/88/74/175778874.db2.gz MWBUXVXLMMHTIE-QMMMGPOBSA-N 0 3 249.274 0.243 20 0 BCADHN C[C@@H](Cn1cccn1)N[C@@H](CO)CC(F)F ZINC000336728905 175781549 /nfs/dbraw/zinc/78/15/49/175781549.db2.gz CUCMNYUXZDHVAR-DTWKUNHWSA-N 0 3 233.262 0.877 20 0 BCADHN C[C@@H](N)C(=O)NCCCN(C)CC(F)(F)F ZINC000237459072 175796417 /nfs/dbraw/zinc/79/64/17/175796417.db2.gz DSGBBHBWMASFEF-SSDOTTSWSA-N 0 3 241.257 0.334 20 0 BCADHN C[C@@H](N)C(=O)NCCCNC(=O)c1ccccc1 ZINC000340176595 175796727 /nfs/dbraw/zinc/79/67/27/175796727.db2.gz OGCAIXGFBFEWSG-SNVBAGLBSA-N 0 3 249.314 0.270 20 0 BCADHN C[C@@H](c1cccnc1)N1CCC[C@@](O)(C(N)=O)C1 ZINC000286319318 176030790 /nfs/dbraw/zinc/03/07/90/176030790.db2.gz VUNCVEIMHAYNGZ-GWCFXTLKSA-N 0 3 249.314 0.455 20 0 BCADHN C[C@@H]1CC(=O)NCCN1C[C@@H]1CCOC1 ZINC000371195802 176049638 /nfs/dbraw/zinc/04/96/38/176049638.db2.gz ACRWVFADOFCQPW-ZJUUUORDSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)C2(N)CC2)C1 ZINC000237539411 176097667 /nfs/dbraw/zinc/09/76/67/176097667.db2.gz VCGHZLQITYKZBF-SNVBAGLBSA-N 0 3 225.336 0.326 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)C2(C)COC2)C1 ZINC000360513587 176097902 /nfs/dbraw/zinc/09/79/02/176097902.db2.gz ZLYYOHYWPVWILS-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN C[C@@H]1CCCN(CCNS(C)(=O)=O)CC1 ZINC000107299831 176098199 /nfs/dbraw/zinc/09/81/99/176098199.db2.gz CXMPDMYXOFPVEQ-SNVBAGLBSA-N 0 3 234.365 0.658 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)c2ccnnc2)C1 ZINC000154570296 176098340 /nfs/dbraw/zinc/09/83/40/176098340.db2.gz SNFYUUNAKPPGMW-LLVKDONJSA-N 0 3 248.330 0.938 20 0 BCADHN C[C@@H]1CCCN1C(=O)CCN(C)C1CC(O)C1 ZINC000353488452 176104125 /nfs/dbraw/zinc/10/41/25/176104125.db2.gz HHWVGSLJKBGMOZ-VOMCLLRMSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H]1CCC[C@@H](C)N1CC(=O)N1CCNC1=O ZINC000108863654 176115170 /nfs/dbraw/zinc/11/51/70/176115170.db2.gz RTEZIADQFHNZGA-NXEZZACHSA-N 0 3 239.319 0.801 20 0 BCADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CN(C)C ZINC000341411423 176115380 /nfs/dbraw/zinc/11/53/80/176115380.db2.gz HNZIYHKDIUXEBT-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN C[C@@H]1CCN(C(=O)/C=C/CN(C)C)[C@H]1CO ZINC000275976026 176153711 /nfs/dbraw/zinc/15/37/11/176153711.db2.gz JSBRMZZRBGIYSW-ZJRFNNFUSA-N 0 3 226.320 0.334 20 0 BCADHN C[C@@H]1CCN(C(=O)C[C@H]2CNCCO2)C[C@@H]1C ZINC000221669511 176156606 /nfs/dbraw/zinc/15/66/06/176156606.db2.gz PJWRFZSDBFHKAN-WOPDTQHZSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)[C@@H](C(N)=O)C1 ZINC000331432039 176160753 /nfs/dbraw/zinc/16/07/53/176160753.db2.gz RLQBRBQXXRYSRQ-LURQLKTLSA-N 0 3 225.292 0.496 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)C1CCOCC1 ZINC000354005584 176166914 /nfs/dbraw/zinc/16/69/14/176166914.db2.gz RUMWTCNIUOTCOT-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1CCN(C)CCN1Cc1cn(C)nn1 ZINC000341621486 176167557 /nfs/dbraw/zinc/16/75/57/176167557.db2.gz TXVGYBPFWDBGIY-SNVBAGLBSA-N 0 3 223.324 0.341 20 0 BCADHN C[C@@H]1CCN([C@H]2CCCCNC2=O)C[C@@H]1O ZINC000299890923 176180066 /nfs/dbraw/zinc/18/00/66/176180066.db2.gz ACDRWVHHQYGQQK-VWYCJHECSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@H](CN1CCOCC1)N1CC[C@@H](C)[C@H](O)C1 ZINC000305758879 176180132 /nfs/dbraw/zinc/18/01/32/176180132.db2.gz CMFUWNQQZPEOQZ-JHJVBQTASA-N 0 3 242.363 0.410 20 0 BCADHN C[C@@H]1CCN([C@@H]2COC[C@H]2O)CCS1 ZINC000306665834 176180792 /nfs/dbraw/zinc/18/07/92/176180792.db2.gz UJHZGLDJESSZLE-OPRDCNLKSA-N 0 3 217.334 0.574 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)C1 ZINC000227327688 176187065 /nfs/dbraw/zinc/18/70/65/176187065.db2.gz SACIPTMKTSJGBH-WISYIIOYSA-N 0 3 240.347 0.794 20 0 BCADHN C[C@H](C(=O)Nn1cnnc1)N1[C@H](C)CC[C@H]1C ZINC000275951774 176200412 /nfs/dbraw/zinc/20/04/12/176200412.db2.gz KWBJCQWPDVUCSN-OPRDCNLKSA-N 0 3 237.307 0.610 20 0 BCADHN Cc1ccncc1CNC[C@H](O)Cn1cccn1 ZINC000162763992 487633218 /nfs/dbraw/zinc/63/32/18/487633218.db2.gz CAXQMMCYDGBNDS-ZDUSSCGKSA-N 0 3 246.314 0.737 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCC[C@@H]3C(=O)NC[C@@H]32)O1 ZINC000337213798 176224283 /nfs/dbraw/zinc/22/42/83/176224283.db2.gz DFOGGWCFFGHYQF-WYUUTHIRSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H]1CC[C@H](CN2CC[C@@H]3C(=O)NC[C@H]3C2)O1 ZINC000368060272 176225437 /nfs/dbraw/zinc/22/54/37/176225437.db2.gz DXXHONKIIRLUJF-KXNHARMFSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C/CN(C)C)C[C@H]1CO ZINC000276884214 176240870 /nfs/dbraw/zinc/24/08/70/176240870.db2.gz WBLODGZBVPARBZ-ZJRFNNFUSA-N 0 3 226.320 0.191 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C/c2ccnn2C)[C@H](C)CN1 ZINC000272619668 176241556 /nfs/dbraw/zinc/24/15/56/176241556.db2.gz UNOOEQGXBSANMV-XKFHPXPTSA-N 0 3 248.330 0.642 20 0 BCADHN C[C@@H]1CN(C(=O)C(C)(C)N)CC(C)(C)O1 ZINC000041679835 176241893 /nfs/dbraw/zinc/24/18/93/176241893.db2.gz QFOBYHHTKFDXCK-MRVPVSSYSA-N 0 3 214.309 0.750 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N)CCCCC2)CCO1 ZINC000019438738 176243312 /nfs/dbraw/zinc/24/33/12/176243312.db2.gz FPAPQRJHFYIYTB-SNVBAGLBSA-N 0 3 226.320 0.895 20 0 BCADHN C[C@@H]1CN(C(=O)CNC2CC2)[C@H](C)CO1 ZINC000037476980 176247627 /nfs/dbraw/zinc/24/76/27/176247627.db2.gz OLBRQEMQKKLXTG-RKDXNWHRSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)CCN1 ZINC000131879624 176254029 /nfs/dbraw/zinc/25/40/29/176254029.db2.gz KPBCFWZXIZCSBO-YPMHNXCESA-N 0 3 247.342 0.377 20 0 BCADHN C[C@@H]1CN(C(=O)C(N)C(F)(F)F)C[C@@H](C)O1 ZINC000353179953 176254240 /nfs/dbraw/zinc/25/42/40/176254240.db2.gz CJTFIDQSKQWRLT-FSDSQADBSA-N 0 3 240.225 0.512 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@](C)(N)c2ccccc2)CCN1 ZINC000262932331 176256791 /nfs/dbraw/zinc/25/67/91/176256791.db2.gz SUYSNWDNCLOPCK-RISCZKNCSA-N 0 3 247.342 0.681 20 0 BCADHN CC(C(=O)N1C[C@H](C)[C@H](C)C1)S(C)(=O)=O ZINC000337531372 176257078 /nfs/dbraw/zinc/25/70/78/176257078.db2.gz FBPLCMBPHXXKLI-YIZRAAEISA-N 0 3 233.333 0.534 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NC[C@H](O)C(F)(F)F ZINC000309090527 176273347 /nfs/dbraw/zinc/27/33/47/176273347.db2.gz BALDNUSJJNPFJN-CSMHCCOUSA-N 0 3 226.242 0.449 20 0 BCADHN C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H](C)N1 ZINC000069628661 176263767 /nfs/dbraw/zinc/26/37/67/176263767.db2.gz HTZUZPVHIBPAKH-HTQZYQBOSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H](C)N1 ZINC000069628661 176263768 /nfs/dbraw/zinc/26/37/68/176263768.db2.gz HTZUZPVHIBPAKH-HTQZYQBOSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@@H]1CN(C(=O)c2cnns2)[C@H](C)CN1 ZINC000083118221 176264934 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/nfs/dbraw/zinc/15/74/94/177157494.db2.gz BTPWIAQMZKQHCP-JTQLQIEISA-N 0 3 249.314 0.953 20 0 BCADHN C[C@H]1CN(CC(=O)NC(N)=O)CC[C@@H]1C ZINC000122447830 177159310 /nfs/dbraw/zinc/15/93/10/177159310.db2.gz BEBHKPUBZYXRFI-YUMQZZPRSA-N 0 3 213.281 0.159 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NC[C@@H](O)c1ccccc1 ZINC000282308336 177173909 /nfs/dbraw/zinc/17/39/09/177173909.db2.gz KEQWATBCNPQLGS-CYZMBNFOSA-N 0 3 248.326 0.834 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)NCCn2ccnc2)C1 ZINC000126990314 177175143 /nfs/dbraw/zinc/17/51/43/177175143.db2.gz XZGMNAJQYLHFRK-WDEREUQCSA-N 0 3 236.319 0.387 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)NCCOCC2CC2)C1 ZINC000235664774 177175711 /nfs/dbraw/zinc/17/57/11/177175711.db2.gz WFDPBPAMWQMDBU-JQWIXIFHSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@H]1CCOCCN1C[C@@H](O)Cn1cccn1 ZINC000367633729 177176997 /nfs/dbraw/zinc/17/69/97/177176997.db2.gz MYUFLEATTDVAQP-NWDGAFQWSA-N 0 3 239.319 0.355 20 0 BCADHN C[C@H]1CCOCCN1CCN1CCNC1=O ZINC000377554287 177177645 /nfs/dbraw/zinc/17/76/45/177177645.db2.gz LXRLTKDQEFCGBI-JTQLQIEISA-N 0 3 227.308 0.122 20 0 BCADHN C[C@H]1COCCN1CCN1CCOCC[C@@H]1C ZINC000369191630 177177655 /nfs/dbraw/zinc/17/76/55/177177655.db2.gz BDBHDGQUGBLJTL-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CCO ZINC000340040256 177185704 /nfs/dbraw/zinc/18/57/04/177185704.db2.gz ZZPRLEAJWREFBA-AOOOYVTPSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@@H](O)CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000330978097 177185676 /nfs/dbraw/zinc/18/56/76/177185676.db2.gz ULLVJOHYPKVAAO-OUAUKWLOSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@H](CC(N)=O)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000361061248 177186525 /nfs/dbraw/zinc/18/65/25/177186525.db2.gz SLTGQTAICSOGDQ-BBBLOLIVSA-N 0 3 241.335 0.239 20 0 BCADHN C[C@H](C(=O)Nn1cnnc1)N1[C@H](C)CC[C@@H]1C ZINC000275951770 177187067 /nfs/dbraw/zinc/18/70/67/177187067.db2.gz KWBJCQWPDVUCSN-KXUCPTDWSA-N 0 3 237.307 0.610 20 0 BCADHN C[C@H]1CC[C@@H](N(C)CCS(=O)(=O)N(C)C)C1 ZINC000352420322 177191913 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177228422 /nfs/dbraw/zinc/22/84/22/177228422.db2.gz ANDMPELIKMOGMI-UWVGGRQHSA-N 0 3 219.288 0.904 20 0 BCADHN C[C@H]1CN(C(=O)c2cccn2C)[C@@H](C)CN1 ZINC000083118280 177228446 /nfs/dbraw/zinc/22/84/46/177228446.db2.gz FDGUOGCGPJYUMK-UWVGGRQHSA-N 0 3 221.304 0.848 20 0 BCADHN C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H](C)N1 ZINC000069628656 177228583 /nfs/dbraw/zinc/22/85/83/177228583.db2.gz HTZUZPVHIBPAKH-OCAPTIKFSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H](C)N1 ZINC000069628656 177228584 /nfs/dbraw/zinc/22/85/84/177228584.db2.gz HTZUZPVHIBPAKH-OCAPTIKFSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cccnc1 ZINC000062609450 177228909 /nfs/dbraw/zinc/22/89/09/177228909.db2.gz BWTHTCOUJVZHPD-VHSXEESVSA-N 0 3 219.288 0.904 20 0 BCADHN C[C@H]1CN(C(=O)c2cn(C)cn2)[C@@H](C)CN1 ZINC000227506503 177230253 /nfs/dbraw/zinc/23/02/53/177230253.db2.gz VGQDTPATNXVHSR-IUCAKERBSA-N 0 3 222.292 0.243 20 0 BCADHN C[C@@H]1CN(Cc2c[nH]cn2)[C@@H](C)CN1C ZINC000336455937 177239738 /nfs/dbraw/zinc/23/97/38/177239738.db2.gz POWDIGVUTCBOLI-ZJUUUORDSA-N 0 3 208.309 0.934 20 0 BCADHN C[C@@H]1CN(Cc2cnc[nH]2)[C@@H](C)CN1C ZINC000336455937 177239740 /nfs/dbraw/zinc/23/97/40/177239740.db2.gz POWDIGVUTCBOLI-ZJUUUORDSA-N 0 3 208.309 0.934 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1cccn1 ZINC000268209258 177240162 /nfs/dbraw/zinc/24/01/62/177240162.db2.gz KIDZDTFJRLSFNZ-JQWIXIFHSA-N 0 3 248.330 0.482 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cocn1 ZINC000268207679 177240436 /nfs/dbraw/zinc/24/04/36/177240436.db2.gz KDQIPCVOWAZNPN-WPRPVWTQSA-N 0 3 235.287 0.887 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1(C)COC1 ZINC000336458190 177242097 /nfs/dbraw/zinc/24/20/97/177242097.db2.gz SMNPWGZGBGVCNU-GXSJLCMTSA-N 0 3 238.331 0.622 20 0 BCADHN C[C@H]1CN(CC(=O)Nc2ccccc2)CCN1 ZINC000082299938 177243459 /nfs/dbraw/zinc/24/34/59/177243459.db2.gz NARANDIWWWZBKK-NSHDSACASA-N 0 3 233.315 0.919 20 0 BCADHN C[C@@H](O)COC(=O)CCN1CCCO[C@@H](C)C1 ZINC000373862933 177246867 /nfs/dbraw/zinc/24/68/67/177246867.db2.gz NKJIVXVNHWUHKH-MNOVXSKESA-N 0 3 245.319 0.411 20 0 BCADHN C[C@H]1CN(CCCCO)C[C@H](C)N1C ZINC000123586702 177247857 /nfs/dbraw/zinc/24/78/57/177247857.db2.gz NMIUGLMVYWWLIN-QWRGUYRKSA-N 0 3 200.326 0.783 20 0 BCADHN C[C@@H]1CN(CCCCO)C[C@H](C)N1C ZINC000123586433 177248419 /nfs/dbraw/zinc/24/84/19/177248419.db2.gz NMIUGLMVYWWLIN-PHIMTYICSA-N 0 3 200.326 0.783 20 0 BCADHN C[C@H]1CN(CCN(CCO)C2CCC2)CCO1 ZINC000337454568 177250941 /nfs/dbraw/zinc/25/09/41/177250941.db2.gz HEVQQRYJZYSSON-LBPRGKRZSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@H]1CN(CCN2CCCOCC2)C[C@H]1O ZINC000361349200 177251131 /nfs/dbraw/zinc/25/11/31/177251131.db2.gz SJQBBGYNQRIJQJ-NWDGAFQWSA-N 0 3 228.336 0.021 20 0 BCADHN C[C@@H](O)CN1C[C@H](C)OC2(CCOCC2)C1 ZINC000337242416 177255769 /nfs/dbraw/zinc/25/57/69/177255769.db2.gz NNPUXFJWPVGGSS-MNOVXSKESA-N 0 3 229.320 0.637 20 0 BCADHN C[C@@H]1CN(CCn2ccnc2)C[C@H](C)N1C ZINC000293286704 177256159 /nfs/dbraw/zinc/25/61/59/177256159.db2.gz CXHBQEAKZQUOPT-TXEJJXNPSA-N 0 3 222.336 0.908 20 0 BCADHN C[C@H]1CN(CCc2cccnc2)C[C@@H]1O ZINC000351806394 177256764 /nfs/dbraw/zinc/25/67/64/177256764.db2.gz FCNOYLDDCMQIQD-JQWIXIFHSA-N 0 3 206.289 0.937 20 0 BCADHN C[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@H](C)N1C ZINC000123590745 177258735 /nfs/dbraw/zinc/25/87/35/177258735.db2.gz TULANFGJOQGELR-YIZRAAEISA-N 0 3 240.269 0.934 20 0 BCADHN C[C@H]1CN(Cc2ccnn2C)[C@@H](C)CN1C ZINC000334885125 177268468 /nfs/dbraw/zinc/26/84/68/177268468.db2.gz CPGHGIGPLVPEDR-QWRGUYRKSA-N 0 3 222.336 0.945 20 0 BCADHN C[C@@H]1CN(Cc2cncn2C)C[C@H](C)N1C ZINC000293407579 177269489 /nfs/dbraw/zinc/26/94/89/177269489.db2.gz MDPSTSOOUDJJIK-PHIMTYICSA-N 0 3 222.336 0.945 20 0 BCADHN C[C@H]1CN(Cc2cnnn2C)C[C@H](C)N1C ZINC000339628099 177269491 /nfs/dbraw/zinc/26/94/91/177269491.db2.gz LKFYMLJLQCXBHV-UWVGGRQHSA-N 0 3 223.324 0.340 20 0 BCADHN C[C@@H]1CN([C@H]2CCCCNC2=O)C[C@H](C)N1C ZINC000336884050 177276789 /nfs/dbraw/zinc/27/67/89/177276789.db2.gz ADJSCZSYEXSAED-TUAOUCFPSA-N 0 3 239.363 0.680 20 0 BCADHN C[C@H]1CN2CCCC[C@H]2CN1CC(=O)N(C)C ZINC000335111758 177279831 /nfs/dbraw/zinc/27/98/31/177279831.db2.gz UYGYZUQSZZFWDD-RYUDHWBXSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1c[nH]cn1 ZINC000265029585 177279983 /nfs/dbraw/zinc/27/99/83/177279983.db2.gz FYMOOKDBZNKJHK-VHSXEESVSA-N 0 3 234.303 0.718 20 0 BCADHN C[C@H]1COCCN1C(=O)[C@H](N)CC(F)F ZINC000308833315 177290231 /nfs/dbraw/zinc/29/02/31/177290231.db2.gz KFKVWUGQOKBZTG-NKWVEPMBSA-N 0 3 222.235 0.216 20 0 BCADHN C[C@H]1COCCN1CCN1CCCOCC1 ZINC000361392081 177290580 /nfs/dbraw/zinc/29/05/80/177290580.db2.gz RNGHTAGAKLAYCE-LBPRGKRZSA-N 0 3 228.336 0.429 20 0 BCADHN C[C@H]1COCCN1CCN(C)C1(CO)CC1 ZINC000353027489 177291452 /nfs/dbraw/zinc/29/14/52/177291452.db2.gz XLXXOEKOKASDLX-NSHDSACASA-N 0 3 228.336 0.164 20 0 BCADHN C[C@H]1COCCN1CCNCc1cncn1C ZINC000356898906 177292748 /nfs/dbraw/zinc/29/27/48/177292748.db2.gz KKUPTPBTIPMEMB-NSHDSACASA-N 0 3 238.335 0.230 20 0 BCADHN C[C@H]1CS(=O)(=O)C[C@H]1N[C@H]1CCCOC1 ZINC000329157423 177302622 /nfs/dbraw/zinc/30/26/22/177302622.db2.gz CKYHQAXHGZMAIP-LPEHRKFASA-N 0 3 233.333 0.188 20 0 BCADHN C[C@H]1CS(=O)(=O)C[C@H]1N[C@H]1CCO[C@@H]1C ZINC000329208943 177303409 /nfs/dbraw/zinc/30/34/09/177303409.db2.gz YEKWMVMNDZYAGP-QCLAVDOMSA-N 0 3 233.333 0.187 20 0 BCADHN C[C@H]1CSC[C@H]1NC(=O)NCCN(C)C ZINC000357751506 177306666 /nfs/dbraw/zinc/30/66/66/177306666.db2.gz GKHJCHPGPAPGLT-DTWKUNHWSA-N 0 3 231.365 0.599 20 0 BCADHN C[C@H]1C[C@@H](C(=O)NCCN(C)C2CC2)CO1 ZINC000352528994 177308395 /nfs/dbraw/zinc/30/83/95/177308395.db2.gz AJMMUKSXOKNQSL-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1CO[C@@H](C)C1 ZINC000346145273 177308465 /nfs/dbraw/zinc/30/84/65/177308465.db2.gz UXGWOISYVHMIEL-KXUCPTDWSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@@H]1C[C@H](C)CN(CC(=O)N2CCNCC2)C1 ZINC000019434780 177311916 /nfs/dbraw/zinc/31/19/16/177311916.db2.gz HXBAAJNRMXHTEV-TXEJJXNPSA-N 0 3 239.363 0.396 20 0 BCADHN C[C@@H]1C[C@H](C)CN1CCNS(C)(=O)=O ZINC000336553316 177318876 /nfs/dbraw/zinc/31/88/76/177318876.db2.gz PNHAVEKKZQXUKE-DTWKUNHWSA-N 0 3 220.338 0.266 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cnnn2C)CN1C1CC1 ZINC000282952574 177329402 /nfs/dbraw/zinc/32/94/02/177329402.db2.gz ZISJVEQQHSMCLJ-DTWKUNHWSA-N 0 3 249.318 0.170 20 0 BCADHN C[C@H](CO)NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341200098 177329472 /nfs/dbraw/zinc/32/94/72/177329472.db2.gz KKWDNDDXYYDUPW-UTLUCORTSA-N 0 3 229.324 0.149 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)NCCCO)CCN1C ZINC000341196996 177329492 /nfs/dbraw/zinc/32/94/92/177329492.db2.gz JEGRDGJEWFEPGH-UWVGGRQHSA-N 0 3 229.324 0.151 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cnc[nH]2)CN1C1CC1 ZINC000267901405 177330253 /nfs/dbraw/zinc/33/02/53/177330253.db2.gz ALWZGKMSNRGEKZ-DTWKUNHWSA-N 0 3 234.303 0.765 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000306432966 177340380 /nfs/dbraw/zinc/34/03/80/177340380.db2.gz VHTYVICRJANABX-JBDRJPRFSA-N 0 3 200.257 0.459 20 0 BCADHN 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CN(C)C(=O)OC[C@@H]1CCCCN1CCCO ZINC000496197120 226298857 /nfs/dbraw/zinc/29/88/57/226298857.db2.gz OQSYUGCDEYGSOM-NSHDSACASA-N 0 3 244.335 0.922 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)OC(C)(C)C ZINC000496244761 226299977 /nfs/dbraw/zinc/29/99/77/226299977.db2.gz JDAHDWRBAGDEHM-NXEZZACHSA-N 0 3 244.335 0.824 20 0 BCADHN COC[C@H]1CCN(C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496282124 226300875 /nfs/dbraw/zinc/30/08/75/226300875.db2.gz HWALNTNRLHCMEK-UWVGGRQHSA-N 0 3 228.292 0.405 20 0 BCADHN CN1CC[C@](O)(CNC(=O)[C@H]2CC23CCC3)C1 ZINC000680827402 487652913 /nfs/dbraw/zinc/65/29/13/487652913.db2.gz DAGXYUMFWFHUGV-MFKMUULPSA-N 0 3 238.331 0.359 20 0 BCADHN CCn1ncnc1CNC[C@@H]1CCCN1C ZINC000226042681 487653897 /nfs/dbraw/zinc/65/38/97/487653897.db2.gz SHDBKOSLFMMHKV-JTQLQIEISA-N 0 3 223.324 0.482 20 0 BCADHN CCC[C@@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000680832683 487655202 /nfs/dbraw/zinc/65/52/02/487655202.db2.gz ICEJZBBJKFKFCP-PWSUYJOCSA-N 0 3 243.351 0.541 20 0 BCADHN COCCCC(=O)N1CCNCC1(C)C ZINC000087437532 487657068 /nfs/dbraw/zinc/65/70/68/487657068.db2.gz LFESMYHOLVQWBP-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN O=C1CC[C@@H](CN2CCC(F)CC2)N1 ZINC000880239139 583512940 /nfs/dbraw/zinc/51/29/40/583512940.db2.gz WDVLCDKXZLJDNV-VIFPVBQESA-N 0 3 200.257 0.699 20 0 BCADHN CC(C)COCCN1C[C@H](O)C[C@H](O)C1 ZINC000669690404 487658138 /nfs/dbraw/zinc/65/81/38/487658138.db2.gz BCUXEQYBQHVDJU-PHIMTYICSA-N 0 3 217.309 0.087 20 0 BCADHN C[C@H](NCc1cnc[nH]1)[C@H](O)C(F)(F)F ZINC000895444554 583674854 /nfs/dbraw/zinc/67/48/54/583674854.db2.gz NJKQAINRLNSLPU-FSPLSTOPSA-N 0 3 223.198 0.811 20 0 BCADHN O=S1(=O)CCC[C@H](NCCCF)C1 ZINC000088024962 322938020 /nfs/dbraw/zinc/93/80/20/322938020.db2.gz KITHEYTYLUZAQW-QMMMGPOBSA-N 0 3 209.286 0.513 20 0 BCADHN O[C@@H]1CCCC[C@H]1N1CCO[C@]2(CCOC2)C1 ZINC000185209481 487666721 /nfs/dbraw/zinc/66/67/21/487666721.db2.gz HOHKXTZATZNLKP-JHJVBQTASA-N 0 3 241.331 0.781 20 0 BCADHN Nc1n[nH]c(C2CCN(CCCF)CC2)n1 ZINC000647931743 487668868 /nfs/dbraw/zinc/66/88/68/487668868.db2.gz CCWBXZNLIUMDDR-UHFFFAOYSA-N 0 3 227.287 0.926 20 0 BCADHN O[C@@H](CN1CC(C2CC2)C1)Cn1cccn1 ZINC000666147132 487670088 /nfs/dbraw/zinc/67/00/88/487670088.db2.gz VTZFQSFHLZUXRL-LBPRGKRZSA-N 0 3 221.304 0.586 20 0 BCADHN CCN1C[C@H](NCc2cccn2C)CC1=O ZINC000391622473 262755561 /nfs/dbraw/zinc/75/55/61/262755561.db2.gz UHJAIBJSFDSOEE-SNVBAGLBSA-N 0 3 221.304 0.736 20 0 BCADHN Cc1ncncc1[C@H](C)NC[C@H]1CCCNC1=O ZINC000655776986 487671142 /nfs/dbraw/zinc/67/11/42/487671142.db2.gz OTECBLLNPQIKDL-GXSJLCMTSA-N 0 3 248.330 0.962 20 0 BCADHN CN(C)CC(C)(C)NC(=O)N[C@H]1CCOC1 ZINC000308754278 229247535 /nfs/dbraw/zinc/24/75/35/229247535.db2.gz PWRCEODUUXMGAB-VIFPVBQESA-N 0 3 229.324 0.415 20 0 BCADHN COCc1cncc(C(=O)NCCN(C)C)c1 ZINC000680925628 487672493 /nfs/dbraw/zinc/67/24/93/487672493.db2.gz FEKLZQGMJJGEAE-UHFFFAOYSA-N 0 3 237.303 0.519 20 0 BCADHN CO[C@H]1C[C@@H](N(C)CCN2CCOC[C@@H]2C)C1 ZINC000510092430 229290987 /nfs/dbraw/zinc/29/09/87/229290987.db2.gz RHGWCFBBMLOQTH-RWMBFGLXSA-N 0 3 242.363 0.816 20 0 BCADHN CN(C)CCN(C)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000512394123 229341451 /nfs/dbraw/zinc/34/14/51/229341451.db2.gz ZFWGCDUGPAGPJP-XYPYZODXSA-N 0 3 243.351 0.493 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000512412894 229343542 /nfs/dbraw/zinc/34/35/42/229343542.db2.gz YCJVLCSPLAIPGW-VWYCJHECSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@H](O)CCN1CCC(F)(F)[C@H](CO)C1 ZINC000403907143 229353452 /nfs/dbraw/zinc/35/34/52/229353452.db2.gz NFBJRBVRKBEFPU-IUCAKERBSA-N 0 3 223.263 0.707 20 0 BCADHN C[C@H](O)CCN1CCC(F)(F)[C@@H](CO)C1 ZINC000403907142 229353659 /nfs/dbraw/zinc/35/36/59/229353659.db2.gz NFBJRBVRKBEFPU-DTWKUNHWSA-N 0 3 223.263 0.707 20 0 BCADHN Cc1cccc(C(=O)NC[C@H](C)[NH3+])c1[O-] ZINC000082573737 487675922 /nfs/dbraw/zinc/67/59/22/487675922.db2.gz NYKWRJJFBBDZEH-QMMMGPOBSA-N 0 3 208.261 0.778 20 0 BCADHN Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](C)[NH3+])c1 ZINC000082574654 487677598 /nfs/dbraw/zinc/67/75/98/487677598.db2.gz HOMBFJKLDBEKBC-QMMMGPOBSA-N 0 3 246.307 0.760 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000054074286 487680667 /nfs/dbraw/zinc/68/06/67/487680667.db2.gz OJDLLVDXYOBNIP-WPRPVWTQSA-N 0 3 236.319 0.522 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)c1ccccn1 ZINC000054072205 487680820 /nfs/dbraw/zinc/68/08/20/487680820.db2.gz QBDPJSZTWUAXLT-IUCAKERBSA-N 0 3 207.277 0.867 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1ccccn1 ZINC000054071779 487681273 /nfs/dbraw/zinc/68/12/73/487681273.db2.gz FUMGAYHZNSUGEY-VIFPVBQESA-N 0 3 207.277 0.348 20 0 BCADHN CC(C)CCNC(=O)COC1(C)CNC1 ZINC000163073552 487683704 /nfs/dbraw/zinc/68/37/04/487683704.db2.gz XGBBPOCFMMPMER-UHFFFAOYSA-N 0 3 214.309 0.527 20 0 BCADHN C[C@H](c1ccccc1)[C@H](CO)N[C@@H]1CCNC1=O ZINC000680993533 487688422 /nfs/dbraw/zinc/68/84/22/487688422.db2.gz NOAFFGYCNRSKGD-RTXFEEFZSA-N 0 3 248.326 0.629 20 0 BCADHN Cc1cc(C)c(S(=O)(=O)NC2CNC2)s1 ZINC000308900443 487692980 /nfs/dbraw/zinc/69/29/80/487692980.db2.gz DXCFRNFWUWMLCU-UHFFFAOYSA-N 0 3 246.357 0.615 20 0 BCADHN O=C1CC[C@H]2CN([C@@H]3CCCC[C@H]3O)CCN12 ZINC000226251672 487693409 /nfs/dbraw/zinc/69/34/09/487693409.db2.gz ZQHCYKFWTFKKNB-QJPTWQEYSA-N 0 3 238.331 0.597 20 0 BCADHN COCC[C@@H](C)NC(=O)C1(N)CCC1 ZINC000088051313 487696300 /nfs/dbraw/zinc/69/63/00/487696300.db2.gz ZMZBPXNVCJALST-MRVPVSSYSA-N 0 3 200.282 0.409 20 0 BCADHN NC1(C(=O)NCc2cscn2)CCC1 ZINC000088051189 487696845 /nfs/dbraw/zinc/69/68/45/487696845.db2.gz WWODQJIRFZEWGW-UHFFFAOYSA-N 0 3 211.290 0.641 20 0 BCADHN CC1(C)C[C@H](N2CC[C@H](NC(N)=O)C2)CO1 ZINC000660149263 487697175 /nfs/dbraw/zinc/69/71/75/487697175.db2.gz HJWKGPOMXJOSLD-IUCAKERBSA-N 0 3 227.308 0.297 20 0 BCADHN CC[C@H](O)CCCNC(=O)[C@H](C)NC ZINC000398605193 262764220 /nfs/dbraw/zinc/76/42/20/262764220.db2.gz MOPQRYMMVKLCIV-IUCAKERBSA-N 0 3 202.298 0.262 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@H](N)C1CCC1 ZINC000399283415 262781580 /nfs/dbraw/zinc/78/15/80/262781580.db2.gz YCPTZWZVGQRYOE-VHSXEESVSA-N 0 3 214.309 0.391 20 0 BCADHN C[NH2+]CCCNC(=O)c1ccccc1[O-] ZINC000036279938 262849231 /nfs/dbraw/zinc/84/92/31/262849231.db2.gz ULVFNARZWLCING-UHFFFAOYSA-N 0 3 208.261 0.732 20 0 BCADHN CCn1nncc1CN[C@@H]1CCO[C@H]1C ZINC000527727612 262876875 /nfs/dbraw/zinc/87/68/75/262876875.db2.gz HRJOEQXDTRHGAN-WCBMZHEXSA-N 0 3 210.281 0.565 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCCS(C)(=O)=O ZINC000528750551 262969827 /nfs/dbraw/zinc/96/98/27/262969827.db2.gz GDTZFRFJIKLGQJ-QEYWKRMJSA-N 0 3 235.349 0.433 20 0 BCADHN CCN1CCN(C[C@@H](C)CO)[C@H](C)C1 ZINC000671716464 487704352 /nfs/dbraw/zinc/70/43/52/487704352.db2.gz NXGDBFNHKYJARY-GHMZBOCLSA-N 0 3 200.326 0.641 20 0 BCADHN Cc1nc(C(=O)N[C@@H](C)CN(C)C)co1 ZINC000672516960 487704968 /nfs/dbraw/zinc/70/49/68/487704968.db2.gz SPEXWHLVMMNJSP-ZETCQYMHSA-N 0 3 211.265 0.663 20 0 BCADHN Cc1noc(C(=O)N[C@@H](C)CN(C)C)n1 ZINC000672516639 487705068 /nfs/dbraw/zinc/70/50/68/487705068.db2.gz WMLGMEBMHVMMNC-LURJTMIESA-N 0 3 212.253 0.058 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCn1cccc1 ZINC000672516640 487705198 /nfs/dbraw/zinc/70/51/98/487705198.db2.gz RCSWTVGQIJQTKZ-NSHDSACASA-N 0 3 223.320 0.945 20 0 BCADHN Cc1cnc(C(=O)N2CCNCC2(C)C)cn1 ZINC000088138650 487705733 /nfs/dbraw/zinc/70/57/33/487705733.db2.gz JFYPIGPEHBNWRT-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN CCC(C)(CC)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000681069878 487711881 /nfs/dbraw/zinc/71/18/81/487711881.db2.gz OAQHCGWVCFKQHJ-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN COC[C@@H](CC(C)(C)C)NC(=O)[C@H](C)N ZINC000655497090 487714559 /nfs/dbraw/zinc/71/45/59/487714559.db2.gz OBJLAAMUZXRESH-DTWKUNHWSA-N 0 3 216.325 0.901 20 0 BCADHN CC[C@H](CO)NC[C@H](O)C(F)(F)F ZINC000082680766 487718124 /nfs/dbraw/zinc/71/81/24/487718124.db2.gz VVYQWASMDNIJJU-RITPCOANSA-N 0 3 201.188 0.270 20 0 BCADHN CC1(OCC(=O)NCCc2ccccc2)CNC1 ZINC000098060215 487718186 /nfs/dbraw/zinc/71/81/86/487718186.db2.gz OUQGNUNFYLZNPZ-UHFFFAOYSA-N 0 3 248.326 0.724 20 0 BCADHN CC[C@H](C)C[C@H](C)NC(=O)CN1CCNCC1 ZINC000088300440 487719598 /nfs/dbraw/zinc/71/95/98/487719598.db2.gz DOHHHHANXOBMDC-RYUDHWBXSA-N 0 3 241.379 0.833 20 0 BCADHN CN(C(=O)COC1(C)CNC1)c1cccnc1 ZINC000098061768 487720541 /nfs/dbraw/zinc/72/05/41/487720541.db2.gz JRHZIWJFYLXFEG-UHFFFAOYSA-N 0 3 235.287 0.423 20 0 BCADHN CC1(OCC(=O)Nc2cccc(O)c2)CNC1 ZINC000098061810 487720150 /nfs/dbraw/zinc/72/01/50/487720150.db2.gz PCFMYKSVLFZTQE-UHFFFAOYSA-N 0 3 236.271 0.709 20 0 BCADHN COCCN(C)C(=O)[C@H]1NCC1(C)C ZINC000308895174 487723216 /nfs/dbraw/zinc/72/32/16/487723216.db2.gz ZLOFLVIUYBXGNG-MRVPVSSYSA-N 0 3 200.282 0.089 20 0 BCADHN CCN(C[C@H]1CCCO1)C[C@H]1CNCCO1 ZINC000249825950 487724746 /nfs/dbraw/zinc/72/47/46/487724746.db2.gz NEYZOPKYPVYAFT-VXGBXAGGSA-N 0 3 228.336 0.476 20 0 BCADHN C[C@H](NCc1cc(C(N)=O)co1)[C@H]1CCOC1 ZINC000354662380 487725973 /nfs/dbraw/zinc/72/59/73/487725973.db2.gz XJOURILNQISABY-IUCAKERBSA-N 0 3 238.287 0.893 20 0 BCADHN CCN1CCN(CC[C@H](C)O)C[C@H]1C ZINC000250204326 487728302 /nfs/dbraw/zinc/72/83/02/487728302.db2.gz BTMFCJBEVPRPEA-MNOVXSKESA-N 0 3 200.326 0.783 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCC(=O)N2)n1 ZINC000080122077 487728904 /nfs/dbraw/zinc/72/89/04/487728904.db2.gz YUJVPJPAJVMSPL-VIFPVBQESA-N 0 3 235.287 0.464 20 0 BCADHN CC(C)N(C)CCNC(=O)NCC[S@@](C)=O ZINC000735100406 584972831 /nfs/dbraw/zinc/97/28/31/584972831.db2.gz SEMWTXFGWDORRO-MRXNPFEDSA-N 0 3 249.380 0.004 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1ccc(CN)o1 ZINC000226394419 487730456 /nfs/dbraw/zinc/73/04/56/487730456.db2.gz HXXAIUQZLNWOMD-SECBINFHSA-N 0 3 237.303 0.562 20 0 BCADHN CCCNC(=O)CNC1(CO)CCCCC1 ZINC000053097362 487731032 /nfs/dbraw/zinc/73/10/32/487731032.db2.gz YJLQKYXZWJJWKN-UHFFFAOYSA-N 0 3 228.336 0.797 20 0 BCADHN CC(C)[C@@H]1C[C@H](N[C@H]2CCNC2=O)CS1 ZINC000668425033 487732306 /nfs/dbraw/zinc/73/23/06/487732306.db2.gz FOURUILRFOYJCE-GUBZILKMSA-N 0 3 228.361 0.995 20 0 BCADHN CC(C)(C)OC(=O)CCN(CCO)CCCO ZINC000118003665 487733519 /nfs/dbraw/zinc/73/35/19/487733519.db2.gz LFPMCPIRVGYBBR-UHFFFAOYSA-N 0 3 247.335 0.395 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H]1CC12CCC2 ZINC000681123575 487735012 /nfs/dbraw/zinc/73/50/12/487735012.db2.gz ZJAPDDAPZOXICX-LLVKDONJSA-N 0 3 240.347 0.607 20 0 BCADHN COCCN(C)CCNC(=O)c1n[nH]cc1C ZINC000669600353 487740260 /nfs/dbraw/zinc/74/02/60/487740260.db2.gz NVGKGVFPGITKKC-UHFFFAOYSA-N 0 3 240.307 0.026 20 0 BCADHN Cc1c[nH]nc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000669600508 487740655 /nfs/dbraw/zinc/74/06/55/487740655.db2.gz RXPKEEMRXFFBPX-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN CCO[C@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000042424818 487743917 /nfs/dbraw/zinc/74/39/17/487743917.db2.gz PHJVGYPLIRFELI-VIFPVBQESA-N 0 3 214.309 0.751 20 0 BCADHN CC[C@@H](N)c1cn(Cc2snnc2C)nn1 ZINC000390277684 487744513 /nfs/dbraw/zinc/74/45/13/487744513.db2.gz UHVJYCUEVQWCDJ-SSDOTTSWSA-N 0 3 238.320 0.896 20 0 BCADHN CCC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000675538344 487745711 /nfs/dbraw/zinc/74/57/11/487745711.db2.gz VCTMQIPEHKWKFV-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@@H](C)[C@H](CNCC(=O)N(C)C)OC ZINC000381301888 487747168 /nfs/dbraw/zinc/74/71/68/487747168.db2.gz QZUFVVSHOUXYJD-ZJUUUORDSA-N 0 3 216.325 0.725 20 0 BCADHN CC(C)n1cc(CNC[C@@H]2CCC(=O)N2)cn1 ZINC000076759263 487747200 /nfs/dbraw/zinc/74/72/00/487747200.db2.gz QGPVKYFWKNHXFI-NSHDSACASA-N 0 3 236.319 0.832 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1N)c1ccccn1 ZINC000638401933 487749921 /nfs/dbraw/zinc/74/99/21/487749921.db2.gz HDKWCEACUHYSKM-JBLDHEPKSA-N 0 3 249.314 0.418 20 0 BCADHN C[C@@H](NCC(=O)Nc1ccon1)[C@H]1CCOC1 ZINC000681220832 487749951 /nfs/dbraw/zinc/74/99/51/487749951.db2.gz IZFVQPTVVRSNNP-BDAKNGLRSA-N 0 3 239.275 0.628 20 0 BCADHN CC(C)CC[C@@H](O)CN1CCC(O)(CO)CC1 ZINC000661619108 487751700 /nfs/dbraw/zinc/75/17/00/487751700.db2.gz FUBIIWLOFNNVET-GFCCVEGCSA-N 0 3 245.363 0.603 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1(CO)CC1 ZINC000675612193 487752835 /nfs/dbraw/zinc/75/28/35/487752835.db2.gz JPSRLIBUXNQPTJ-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN OCC1(O)CCN(CCOCC2CCC2)CC1 ZINC000661619581 487752845 /nfs/dbraw/zinc/75/28/45/487752845.db2.gz AHUUOMCFHREQSM-UHFFFAOYSA-N 0 3 243.347 0.622 20 0 BCADHN CC[C@@H](C(=O)NCC1(CO)CC1)N(CC)CC ZINC000675612719 487753407 /nfs/dbraw/zinc/75/34/07/487753407.db2.gz XOGMSOUSHMSBCK-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356620067 487754558 /nfs/dbraw/zinc/75/45/58/487754558.db2.gz MSVAMNDACBUWET-AXFHLTTASA-N 0 3 226.320 0.431 20 0 BCADHN CCCNC(=O)CN(C)[C@@H](CN)C(F)(F)F ZINC000042517294 487757712 /nfs/dbraw/zinc/75/77/12/487757712.db2.gz DTSBHXGEMMFLOU-ZETCQYMHSA-N 0 3 241.257 0.334 20 0 BCADHN CCCNC(=O)CN(C)[C@H](CN)C(F)(F)F ZINC000042517295 487757861 /nfs/dbraw/zinc/75/78/61/487757861.db2.gz DTSBHXGEMMFLOU-SSDOTTSWSA-N 0 3 241.257 0.334 20 0 BCADHN Cc1c[nH]nc1C(=O)NCCN1CC[C@H](C)C1 ZINC000669607148 487762042 /nfs/dbraw/zinc/76/20/42/487762042.db2.gz CLVKAPOIVFBRLC-VIFPVBQESA-N 0 3 236.319 0.790 20 0 BCADHN CC(C)NC(=O)CN(C)[C@H](CN)C(F)(F)F ZINC000042601206 487761672 /nfs/dbraw/zinc/76/16/72/487761672.db2.gz ZZPQEFXWTUIQAM-SSDOTTSWSA-N 0 3 241.257 0.332 20 0 BCADHN CO[C@@H](C)CNC(=O)N(C)CCN1CCCC1 ZINC000666221444 487761839 /nfs/dbraw/zinc/76/18/39/487761839.db2.gz BJCIMYORMXRLLN-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN COCC[C@@H](C)NC(=S)NCCN(C)C ZINC000751019416 585223438 /nfs/dbraw/zinc/22/34/38/585223438.db2.gz HOXPBXZJDQMPDA-SECBINFHSA-N 0 3 233.381 0.437 20 0 BCADHN CC[C@@H](N)c1cn(C(COC)COC)nn1 ZINC000385069567 487764095 /nfs/dbraw/zinc/76/40/95/487764095.db2.gz VZZZHAKWOWROMI-SECBINFHSA-N 0 3 228.296 0.522 20 0 BCADHN CO[C@H](CNC1CSC1)[C@@H]1CCOC1 ZINC000668445029 487766792 /nfs/dbraw/zinc/76/67/92/487766792.db2.gz WBNPQASFCCNIPQ-PSASIEDQSA-N 0 3 217.334 0.743 20 0 BCADHN CC[C@H](O)CCNC(=O)N[C@H]1CCCN(C)C1 ZINC000675708980 487768777 /nfs/dbraw/zinc/76/87/77/487768777.db2.gz ANAZAWWTZHIYCX-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN Cc1nccn1CCNC(=O)C1(N)CCC1 ZINC000380858710 487771980 /nfs/dbraw/zinc/77/19/80/487771980.db2.gz 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232.368 0.920 20 0 BCADHN Cc1ncc([C@H](C)N2CC[C@H](C(N)=O)C2)c(C)n1 ZINC000681640064 487828532 /nfs/dbraw/zinc/82/85/32/487828532.db2.gz UFVVTXWANWGJRR-ONGXEEELSA-N 0 3 248.330 0.962 20 0 BCADHN CN(CCOC(C)(C)C)CCN1CCNC1=O ZINC000676252503 487829818 /nfs/dbraw/zinc/82/98/18/487829818.db2.gz OMHRGJDWCHPWLW-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN CCC[C@@H](C)N1CCN(CC(=O)N(C)C)CC1 ZINC000681642802 487829720 /nfs/dbraw/zinc/82/97/20/487829720.db2.gz YPENVXQBEXTMNU-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN C/C=C/C=C\C(=O)NCCN(CC)CCO ZINC000492622933 527602421 /nfs/dbraw/zinc/60/24/21/527602421.db2.gz PGNVHDPGWOCRIU-WZWXSLMZSA-N 0 3 226.320 0.549 20 0 BCADHN CN(CC[S@@](C)=O)C[C@H]1CCCN(C)C1 ZINC000827878465 587406761 /nfs/dbraw/zinc/40/67/61/587406761.db2.gz WUXYTDZKRBGIKC-XHDPSFHLSA-N 0 3 232.393 0.639 20 0 BCADHN CCN(CC[S@@](C)=O)C[C@@H]1CCOC1 ZINC000827792287 587402625 /nfs/dbraw/zinc/40/26/25/587402625.db2.gz COBCGEUKNUUWOT-IINYFYTJSA-N 0 3 219.350 0.723 20 0 BCADHN 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ZINC000849327468 588472865 /nfs/dbraw/zinc/47/28/65/588472865.db2.gz MOHXTFCONNPMDY-UHFFFAOYSA-N 0 3 249.376 0.826 20 0 BCADHN FC(F)OCCN1CCNC[C@H]1C(F)F ZINC000852748741 588699662 /nfs/dbraw/zinc/69/96/62/588699662.db2.gz BXAPZTNDHPDJBI-LURJTMIESA-N 0 3 230.205 0.765 20 0 BCADHN COC[C@H](C)N(C)CCN(C)C(=O)OC ZINC000852569675 588691228 /nfs/dbraw/zinc/69/12/28/588691228.db2.gz CNCJOCDGZYUADG-VIFPVBQESA-N 0 3 218.297 0.651 20 0 BCADHN CN(CCNC(=O)NCC(C)(C)CO)C1CC1 ZINC000676386261 487843716 /nfs/dbraw/zinc/84/37/16/487843716.db2.gz PNYGJRIFQDLHRF-UHFFFAOYSA-N 0 3 243.351 0.398 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000659313234 487844449 /nfs/dbraw/zinc/84/44/49/487844449.db2.gz LIQSLXANWBLJBW-GEVSDDDWSA-N 0 3 226.295 0.849 20 0 BCADHN CC[C@@H](OC)C(=O)N[C@H](CN)C(F)(F)F ZINC000655510736 487846201 /nfs/dbraw/zinc/84/62/01/487846201.db2.gz SREXTPVAYRGITF-PHDIDXHHSA-N 0 3 228.214 0.417 20 0 BCADHN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1cscn1 ZINC000565951928 322950326 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PMBUJLYGYPKZBC-SECBINFHSA-N 0 3 226.324 0.611 20 0 BCADHN CC[C@H](CO)N(C)CC[S@](=O)C(F)(F)F ZINC000930599036 639816756 /nfs/dbraw/zinc/81/67/56/639816756.db2.gz VETXQQASFYXOMD-MLXNANBUSA-N 0 3 247.282 0.958 20 0 BCADHN CO[C@]1(CO)CCCN(CC2=CCCOC2)C1 ZINC000668498269 487854709 /nfs/dbraw/zinc/85/47/09/487854709.db2.gz IJJNXEGPGAIWNC-CYBMUJFWSA-N 0 3 241.331 0.806 20 0 BCADHN CO[C@@]1(CO)CCCN(Cc2ccn(C)c2)C1 ZINC000668498122 487855374 /nfs/dbraw/zinc/85/53/74/487855374.db2.gz GPHHECUWTYXFEW-ZDUSSCGKSA-N 0 3 238.331 0.998 20 0 BCADHN CO[C@@]1(CO)CCCN(CC2=CCCOC2)C1 ZINC000668498270 487855244 /nfs/dbraw/zinc/85/52/44/487855244.db2.gz IJJNXEGPGAIWNC-ZDUSSCGKSA-N 0 3 241.331 0.806 20 0 BCADHN CO[C@@]1(CO)CCCN(Cc2[nH]ncc2C)C1 ZINC000668498469 487856278 /nfs/dbraw/zinc/85/62/78/487856278.db2.gz KPOJBQGNLHPKTC-LBPRGKRZSA-N 0 3 239.319 0.691 20 0 BCADHN COC[C@@H](CNC[C@H](O)C(F)(F)F)OC ZINC000234698094 487855844 /nfs/dbraw/zinc/85/58/44/487855844.db2.gz UFKXSZDZQSJJTD-RQJHMYQMSA-N 0 3 231.214 0.161 20 0 BCADHN C[C@]1(NC(=O)C[C@@H]2CSCCN2)CCOC1 ZINC000119128600 487857633 /nfs/dbraw/zinc/85/76/33/487857633.db2.gz ZJHOODJQYRAQJA-KOLCDFICSA-N 0 3 244.360 0.377 20 0 BCADHN CCOCC[C@@H](O)CN1CCCOCC1 ZINC000373118634 487859308 /nfs/dbraw/zinc/85/93/08/487859308.db2.gz UDVITUJREVMTNT-LLVKDONJSA-N 0 3 217.309 0.496 20 0 BCADHN Cc1ccc(CN2C[C@H](O)[C@@H](N(C)C)C2)c(C)n1 ZINC000573218103 322955894 /nfs/dbraw/zinc/95/58/94/322955894.db2.gz ZWXSWSNBNMNADM-KBPBESRZSA-N 0 3 249.358 0.805 20 0 BCADHN CN(CCC(=O)N1CC(C)(O)C1)c1ccncc1 ZINC000558884354 322956335 /nfs/dbraw/zinc/95/63/35/322956335.db2.gz DFDQQWFNWBFIHJ-UHFFFAOYSA-N 0 3 249.314 0.501 20 0 BCADHN COc1ccc([O-])c(C(=O)NC[C@H](C)[NH3+])c1 ZINC000082573654 487861263 /nfs/dbraw/zinc/86/12/63/487861263.db2.gz BJFHBIQRKIYENK-ZETCQYMHSA-N 0 3 224.260 0.478 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H](C)CC1CC1 ZINC000668507017 487862490 /nfs/dbraw/zinc/86/24/90/487862490.db2.gz MQYFBMFTCIZSJO-DVVUODLYSA-N 0 3 247.360 0.577 20 0 BCADHN C[C@H](CN1CCO[C@@H](C(N)=O)C1)C(C)(C)C ZINC000670263191 487862123 /nfs/dbraw/zinc/86/21/23/487862123.db2.gz QJVBCDMHGMEGEE-NXEZZACHSA-N 0 3 228.336 0.855 20 0 BCADHN CC(C(=O)N1CCCOC[C@H]1C)S(C)(=O)=O ZINC000676515668 487863412 /nfs/dbraw/zinc/86/34/12/487863412.db2.gz XNJNINNNKMSNQW-RKDXNWHRSA-N 0 3 249.332 0.057 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCN1CC(=O)N1CCC1 ZINC000303430842 487866000 /nfs/dbraw/zinc/86/60/00/487866000.db2.gz BKFVKCNZTSSWBL-MNOVXSKESA-N 0 3 226.320 0.454 20 0 BCADHN C[C@H](CNC(=O)CCc1ccon1)N(C)C ZINC000666244388 487871564 /nfs/dbraw/zinc/87/15/64/487871564.db2.gz TYQPGABZFZGIGB-SECBINFHSA-N 0 3 225.292 0.674 20 0 BCADHN CC(C)(C)OCCCN1CC[C@H](CO)[C@H](O)C1 ZINC000676560849 487872706 /nfs/dbraw/zinc/87/27/06/487872706.db2.gz WJSCLEFLZOJOCZ-VXGBXAGGSA-N 0 3 245.363 0.867 20 0 BCADHN CNC(=O)CCCC(=O)N[C@@H]1CCCN(C)C1 ZINC000681996785 487877274 /nfs/dbraw/zinc/87/72/74/487877274.db2.gz OJJWWABYZOCZAX-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN 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C[C@@H](CO)CN1CCN(CCO)C(C)(C)C1 ZINC000682037550 487887413 /nfs/dbraw/zinc/88/74/13/487887413.db2.gz GUBXOZZATSOMOG-LLVKDONJSA-N 0 3 230.352 0.003 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)Cn1cncn1 ZINC000676664439 487888478 /nfs/dbraw/zinc/88/84/78/487888478.db2.gz PVKANVMLRHFRJH-UHFFFAOYSA-N 0 3 239.323 0.077 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652257602 487893739 /nfs/dbraw/zinc/89/37/39/487893739.db2.gz YDMFPGWYDYDDEP-QNSHHTMESA-N 0 3 236.319 0.643 20 0 BCADHN COC[C@@H](C)CN1CC[C@@](F)(CO)C1 ZINC000670273773 487897992 /nfs/dbraw/zinc/89/79/92/487897992.db2.gz WZRPUXUDHSBKCK-UWVGGRQHSA-N 0 3 205.273 0.675 20 0 BCADHN C[C@H]1COCCCN1Cc1ccn(C)c(=O)c1 ZINC000676713458 487900090 /nfs/dbraw/zinc/90/00/90/487900090.db2.gz PPFLWFQUMQOFNR-NSHDSACASA-N 0 3 236.315 0.996 20 0 BCADHN CCCn1nccc1CNCCOCCO ZINC000164828770 487900831 /nfs/dbraw/zinc/90/08/31/487900831.db2.gz FPAOENCXVPVPHP-UHFFFAOYSA-N 0 3 227.308 0.392 20 0 BCADHN C[C@@H]1COCCCN1Cc1ccn(C)c(=O)c1 ZINC000676713457 487900919 /nfs/dbraw/zinc/90/09/19/487900919.db2.gz PPFLWFQUMQOFNR-LLVKDONJSA-N 0 3 236.315 0.996 20 0 BCADHN Cc1n[nH]cc1CN(C)CC1CN(C)C1 ZINC000668537265 487901524 /nfs/dbraw/zinc/90/15/24/487901524.db2.gz CZTHCEMZEXZCEJ-UHFFFAOYSA-N 0 3 208.309 0.712 20 0 BCADHN C[C@H]1COCCCN1CCCN1CCOCC1 ZINC000676713929 487902381 /nfs/dbraw/zinc/90/23/81/487902381.db2.gz SRFKXRQLHAMLFE-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN CN(Cc1cc2n(n1)CCC2)CC1CN(C)C1 ZINC000668538822 487903970 /nfs/dbraw/zinc/90/39/70/487903970.db2.gz HJQOUAJSTJKXMU-UHFFFAOYSA-N 0 3 234.347 0.823 20 0 BCADHN CN1CC[C@@H](CNC(=O)c2ncccc2F)C1 ZINC000666911476 487903628 /nfs/dbraw/zinc/90/36/28/487903628.db2.gz VWDPOBWDEXVUPB-VIFPVBQESA-N 0 3 237.278 0.902 20 0 BCADHN CCn1nc(C)cc1C(=O)N1CCCNCC1 ZINC000090122374 487904731 /nfs/dbraw/zinc/90/47/31/487904731.db2.gz JKXGIMCDIGSSQR-UHFFFAOYSA-N 0 3 236.319 0.647 20 0 BCADHN CO[C@@H](C)[C@H](C)NCC(=O)NC1CC1 ZINC000229375041 487906985 /nfs/dbraw/zinc/90/69/85/487906985.db2.gz RJNITSRAUNIOOH-YUMQZZPRSA-N 0 3 200.282 0.278 20 0 BCADHN CCn1nccc1CNC[C@@H]1C[C@H](F)CN1 ZINC000666945280 487909744 /nfs/dbraw/zinc/90/97/44/487909744.db2.gz IGMVWTJOBAKNDR-UWVGGRQHSA-N 0 3 226.299 0.693 20 0 BCADHN CN(CC1(C)COC1)[C@@H]1CCCNC1=O ZINC000682093755 487909964 /nfs/dbraw/zinc/90/99/64/487909964.db2.gz QKSJTRPLDLDTRX-SECBINFHSA-N 0 3 212.293 0.233 20 0 BCADHN NCc1cn(CCn2cnc3ccccc32)nn1 ZINC000052576382 487910959 /nfs/dbraw/zinc/91/09/59/487910959.db2.gz IILHADBWQQROAF-UHFFFAOYSA-N 0 3 242.286 0.787 20 0 BCADHN CCC[C@H](C)NC(=O)N1CCN(C)C[C@H]1CN ZINC000668541217 487911512 /nfs/dbraw/zinc/91/15/12/487911512.db2.gz JCUGXDTVGDOYOT-WDEREUQCSA-N 0 3 242.367 0.459 20 0 BCADHN CCC[C@@H](O)CC(=O)NCCN(C)C1CC1 ZINC000676741285 487912230 /nfs/dbraw/zinc/91/22/30/487912230.db2.gz CXKUGTGXNPJWLB-LLVKDONJSA-N 0 3 228.336 0.748 20 0 BCADHN Nc1cc(CN2C[C@@H]3COC[C@@H]3C2)ccn1 ZINC000634780230 487914891 /nfs/dbraw/zinc/91/48/91/487914891.db2.gz YFDGZXZZSHFHSN-PHIMTYICSA-N 0 3 219.288 0.742 20 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C[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(C)C2)CO1 ZINC000682223916 487929913 /nfs/dbraw/zinc/92/99/13/487929913.db2.gz GNNNBULDRJUDSE-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1C[C@@H]1CN(CCN(C)C)CC(=O)N(C)C ZINC000668558229 487930467 /nfs/dbraw/zinc/93/04/67/487930467.db2.gz ZTWFIEWJFZTSPR-VXGBXAGGSA-N 0 3 241.379 0.594 20 0 BCADHN CC1(CN2CCc3cn[nH]c3C2)COC1 ZINC000676793397 487930679 /nfs/dbraw/zinc/93/06/79/487930679.db2.gz ZSTKKKRPQLNTEP-UHFFFAOYSA-N 0 3 207.277 0.804 20 0 BCADHN C[C@H]1C[C@H]1CN(CCN(C)C)CC(=O)N(C)C ZINC000668558228 487930743 /nfs/dbraw/zinc/93/07/43/487930743.db2.gz ZTWFIEWJFZTSPR-RYUDHWBXSA-N 0 3 241.379 0.594 20 0 BCADHN OCc1ccc(CN[C@@H]2COC[C@@H]2O)cc1 ZINC000227474151 487931155 /nfs/dbraw/zinc/93/11/55/487931155.db2.gz VQLUXEMJFGQQID-NEPJUHHUSA-N 0 3 223.272 0.028 20 0 BCADHN COCC[C@H](C)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000668560781 487934076 /nfs/dbraw/zinc/93/40/76/487934076.db2.gz HMNMFQGUDUQYNI-GARJFASQSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H](N[C@@H]1CCCNC(=O)C1)c1cn[nH]c1 ZINC000229671388 487935314 /nfs/dbraw/zinc/93/53/14/487935314.db2.gz TXZPGAKXHSCGOK-PSASIEDQSA-N 0 3 222.292 0.729 20 0 BCADHN Cc1ncc(CN2CC[C@H](CC(N)=O)C2)cn1 ZINC000676876455 487939619 /nfs/dbraw/zinc/93/96/19/487939619.db2.gz OZZUXWLPFCKQHX-SNVBAGLBSA-N 0 3 234.303 0.482 20 0 BCADHN CCN(CC)S(=O)(=O)N1CCNCC1(C)C ZINC000083842607 487941958 /nfs/dbraw/zinc/94/19/58/487941958.db2.gz WSYLSUSNYZULBD-UHFFFAOYSA-N 0 3 249.380 0.257 20 0 BCADHN Cn1cc(C(=O)N2CCNCC2(C)C)cn1 ZINC000083842576 487942232 /nfs/dbraw/zinc/94/22/32/487942232.db2.gz IZWGNHBCCQJTPK-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN Cc1cc(C(=O)N2CCNCC2(C)C)no1 ZINC000083842499 487942304 /nfs/dbraw/zinc/94/23/04/487942304.db2.gz KSADUVMFFKFCHD-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN Cc1ccc(CN(C[C@@H](C)O)[C@@H](C)CO)nc1 ZINC000682373620 487943866 /nfs/dbraw/zinc/94/38/66/487943866.db2.gz TVHZHMLXWXKOMS-NWDGAFQWSA-N 0 3 238.331 0.954 20 0 BCADHN CN(C)S(=O)(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000147089244 487947235 /nfs/dbraw/zinc/94/72/35/487947235.db2.gz GCLIIRMETWKLHB-SECBINFHSA-N 0 3 249.380 0.255 20 0 BCADHN CN(CCNC(=O)c1ncc[nH]1)C1CC1 ZINC000667158712 487949345 /nfs/dbraw/zinc/94/93/45/487949345.db2.gz GWGQYRYOTGOMCL-UHFFFAOYSA-N 0 3 208.265 0.234 20 0 BCADHN CCN1CCN(c2ncnc3n[nH]cc32)[C@H](C)C1 ZINC000672325800 487950146 /nfs/dbraw/zinc/95/01/46/487950146.db2.gz QEJGYBCRKZVQJB-SECBINFHSA-N 0 3 246.318 0.883 20 0 BCADHN CN(CCNC(=O)Cc1cscn1)C1CC1 ZINC000667159101 487950587 /nfs/dbraw/zinc/95/05/87/487950587.db2.gz UJRINOBEEZPQCY-UHFFFAOYSA-N 0 3 239.344 0.896 20 0 BCADHN CCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673517758 487952232 /nfs/dbraw/zinc/95/22/32/487952232.db2.gz OIHXTJNPTVFXJC-UWVGGRQHSA-N 0 3 212.293 0.064 20 0 BCADHN COC[C@H](OC)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000667182887 487953921 /nfs/dbraw/zinc/95/39/21/487953921.db2.gz KJUXROFAZNNRQD-ONGXEEELSA-N 0 3 242.319 0.001 20 0 BCADHN NC1(C(=O)Nc2nnc3ccccn32)CCC1 ZINC000517736006 322809374 /nfs/dbraw/zinc/80/93/74/322809374.db2.gz FSSGPKJSTIUGJT-UHFFFAOYSA-N 0 3 231.259 0.549 20 0 BCADHN C[C@@H](N)C(=O)NCCN1CCCc2ccccc21 ZINC000083884158 487956774 /nfs/dbraw/zinc/95/67/74/487956774.db2.gz JUYOITZGCPMIIP-LLVKDONJSA-N 0 3 247.342 0.903 20 0 BCADHN CNCC(=O)NC[C@@H]1CC12CCSCC2 ZINC000564943303 322976397 /nfs/dbraw/zinc/97/63/97/322976397.db2.gz YQVGWHANEJOJNZ-VIFPVBQESA-N 0 3 228.361 0.855 20 0 BCADHN CN[C@@H](CC(C)(C)C)C(=O)Nc1nc[nH]n1 ZINC000569599801 322972080 /nfs/dbraw/zinc/97/20/80/322972080.db2.gz HULKQJWOSJGBME-ZETCQYMHSA-N 0 3 225.296 0.767 20 0 BCADHN CCCN[C@@H](C)C(=O)NCC(=O)NC(C)C ZINC000569600501 322972289 /nfs/dbraw/zinc/97/22/89/322972289.db2.gz VYLOJWZBJDXWFC-VIFPVBQESA-N 0 3 229.324 0.015 20 0 BCADHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccco1 ZINC000566224042 322976067 /nfs/dbraw/zinc/97/60/67/322976067.db2.gz FSMBZPRVAJIXNC-SSDOTTSWSA-N 0 3 218.278 0.295 20 0 BCADHN CC[C@H](C(=O)NC1(COC)CC1)N(C)C ZINC000560851292 322992790 /nfs/dbraw/zinc/99/27/90/322992790.db2.gz BBJNACMLQNQTQL-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN COC(=O)[C@](C)(O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000300622321 323001344 /nfs/dbraw/zinc/00/13/44/323001344.db2.gz CPYPBXCWHFPZTI-JFGNBEQYSA-N 0 3 243.303 0.068 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1[C@H](C)C1(F)F ZINC000561770382 323006785 /nfs/dbraw/zinc/00/67/85/323006785.db2.gz KFYLEWPPBCVPCN-FXQIFTODSA-N 0 3 220.263 0.954 20 0 BCADHN O=S1(=O)CCC[C@H](NCCOCC2CC2)C1 ZINC000132159819 323014416 /nfs/dbraw/zinc/01/44/16/323014416.db2.gz VGMABPHDVWAPKZ-NSHDSACASA-N 0 3 247.360 0.580 20 0 BCADHN C[C@@H](CNC(=O)CCCC(N)=O)N1CCCC1 ZINC000562343326 323017189 /nfs/dbraw/zinc/01/71/89/323017189.db2.gz DGKLKSRKRIDDJB-JTQLQIEISA-N 0 3 241.335 0.243 20 0 BCADHN C[C@H](C(N)=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000562444347 323020153 /nfs/dbraw/zinc/02/01/53/323020153.db2.gz QBMYNORPGYWSMV-KXUCPTDWSA-N 0 3 211.309 0.029 20 0 BCADHN CCO[C@H]1C[C@@H]1NC(=O)CN(C)C(C)C ZINC000562470973 323021139 /nfs/dbraw/zinc/02/11/39/323021139.db2.gz FRPBFPGHWNKOKH-UWVGGRQHSA-N 0 3 214.309 0.620 20 0 BCADHN CN1C(=O)C[C@H](N2CC[C@H](CC3CC3)C2)C1=O ZINC000562512104 323022214 /nfs/dbraw/zinc/02/22/14/323022214.db2.gz ILKRGXWFSVSJKP-MNOVXSKESA-N 0 3 236.315 0.866 20 0 BCADHN C[C@@H]1CN(CCOC[C@@H]2CCCO2)CC[C@H]1O ZINC000562509718 323022288 /nfs/dbraw/zinc/02/22/88/323022288.db2.gz LQNWNKUTTMRQSJ-FRRDWIJNSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@@H]1C[C@H]1N1C[C@H](NCC2(O)CCC2)CC1=O ZINC000566968719 323029402 /nfs/dbraw/zinc/02/94/02/323029402.db2.gz FHHCNEZLCPIVJI-GMTAPVOTSA-N 0 3 238.331 0.500 20 0 BCADHN C[C@@H]1C[C@@H]1N1C[C@H](NCC2(O)CCC2)CC1=O ZINC000566968720 323029412 /nfs/dbraw/zinc/02/94/12/323029412.db2.gz FHHCNEZLCPIVJI-MXWKQRLJSA-N 0 3 238.331 0.500 20 0 BCADHN CC(C)[C@@H](O)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000562852947 323032128 /nfs/dbraw/zinc/03/21/28/323032128.db2.gz FRHUBALIFBUSDP-WDEREUQCSA-N 0 3 228.336 0.461 20 0 BCADHN CC(C)SCCN1CCC[C@@](O)(CO)C1 ZINC000313649470 323033850 /nfs/dbraw/zinc/03/38/50/323033850.db2.gz YMUXFQZMMMCCSM-NSHDSACASA-N 0 3 233.377 0.947 20 0 BCADHN CCOC(=O)CCN1CCNC[C@H]1C(F)F ZINC000572722038 323036597 /nfs/dbraw/zinc/03/65/97/323036597.db2.gz NTYKGQMUDQQCLP-QMMMGPOBSA-N 0 3 236.262 0.479 20 0 BCADHN CCc1cccnc1NC(=O)CCOC1CNC1 ZINC000569691011 323037135 /nfs/dbraw/zinc/03/71/35/323037135.db2.gz YOFHFTJGGXJMNM-UHFFFAOYSA-N 0 3 249.314 0.961 20 0 BCADHN Cc1ccn(CC(=O)NC[C@H]2CCCN2C)n1 ZINC000448976419 323037333 /nfs/dbraw/zinc/03/73/33/323037333.db2.gz MSEZFOCAXSENLU-LLVKDONJSA-N 0 3 236.319 0.402 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2cccnn2)C1 ZINC000528375052 323038430 /nfs/dbraw/zinc/03/84/30/323038430.db2.gz BTIIHCRRSZGJNW-JTQLQIEISA-N 0 3 234.303 0.643 20 0 BCADHN NC(=O)[C@@]1(NCC[C@H]2CCCCO2)CCOC1 ZINC000569738445 323039329 /nfs/dbraw/zinc/03/93/29/323039329.db2.gz CITNGBDBQSDNQF-ZYHUDNBSSA-N 0 3 242.319 0.180 20 0 BCADHN COCC[C@@]1(NCC(=O)N2CCC2)CCOC1 ZINC000569779001 323040307 /nfs/dbraw/zinc/04/03/07/323040307.db2.gz FHGRPUOYTGHKSZ-GFCCVEGCSA-N 0 3 242.319 0.004 20 0 BCADHN O=C(CCOC1CNC1)N[C@H]1C=CCCC1 ZINC000569850711 323042791 /nfs/dbraw/zinc/04/27/91/323042791.db2.gz HJXYHOWISZFCGH-JTQLQIEISA-N 0 3 224.304 0.590 20 0 BCADHN Cc1cccc2c1OC[C@H](NCCC(N)=O)C2 ZINC000569921008 323044594 /nfs/dbraw/zinc/04/45/94/323044594.db2.gz ONEDRJRPLMUCNR-LLVKDONJSA-N 0 3 234.299 0.764 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC000569940274 323045223 /nfs/dbraw/zinc/04/52/23/323045223.db2.gz COTONPPJGSQIER-KWQFWETISA-N 0 3 248.330 0.366 20 0 BCADHN C[C@@]1(CNC[C@H](O)C(F)(F)F)CCC(=O)N1 ZINC000569962416 323045884 /nfs/dbraw/zinc/04/58/84/323045884.db2.gz WMNNKFSGGDZQGH-XPUUQOCRSA-N 0 3 240.225 0.168 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@H]1CC[C@@H](C)O1 ZINC000570042619 323048337 /nfs/dbraw/zinc/04/83/37/323048337.db2.gz KHBNNLSUJLJRRA-GWOFURMSSA-N 0 3 215.293 0.557 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc2c(cc1N)OCO2 ZINC000570105830 323050114 /nfs/dbraw/zinc/05/01/14/323050114.db2.gz DFRJMLFVGQQXMF-LURJTMIESA-N 0 3 237.259 0.544 20 0 BCADHN OCC(CO)NCCc1c(F)cccc1Cl ZINC000570174130 323052107 /nfs/dbraw/zinc/05/21/07/323052107.db2.gz YORQOVQCLFNPQZ-UHFFFAOYSA-N 0 3 247.697 0.964 20 0 BCADHN CC[C@H](O)CN1CCC[C@H](OCCO)C1 ZINC000172100524 323053477 /nfs/dbraw/zinc/05/34/77/323053477.db2.gz SGJCTTMFNLZCSG-QWRGUYRKSA-N 0 3 217.309 0.231 20 0 BCADHN C[C@H]1CCCN1CC(=O)N1CCOCC1 ZINC000154462045 323057202 /nfs/dbraw/zinc/05/72/02/323057202.db2.gz NFOBBLXMOPLELR-JTQLQIEISA-N 0 3 212.293 0.330 20 0 BCADHN O=C([C@@H]1CCCCN1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000570399012 323058473 /nfs/dbraw/zinc/05/84/73/323058473.db2.gz MTAUHCFISATQTL-WOPDTQHZSA-N 0 3 238.331 0.766 20 0 BCADHN CC[C@H](CCO)NCc1cnc(C)n1C ZINC000570463987 323060238 /nfs/dbraw/zinc/06/02/38/323060238.db2.gz JGTIYEPLBKTNIB-SNVBAGLBSA-N 0 3 211.309 0.979 20 0 BCADHN COC[C@@H](C)N1CCC(N2CN=NC2=O)CC1 ZINC000570469722 323060605 /nfs/dbraw/zinc/06/06/05/323060605.db2.gz OWOKQGYENSIQMW-SECBINFHSA-N 0 3 240.307 0.656 20 0 BCADHN CO[C@@H](CN)C(=O)NCCc1ccccc1O ZINC000570630231 323065183 /nfs/dbraw/zinc/06/51/83/323065183.db2.gz RNXDIAPTVFBDOE-NSHDSACASA-N 0 3 238.287 0.025 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000570651418 323066092 /nfs/dbraw/zinc/06/60/92/323066092.db2.gz QWVLBOASNJVGPT-ZETCQYMHSA-N 0 3 249.270 0.678 20 0 BCADHN COC[C@@H](O)CNCc1nc2ccc(C)cc2[nH]1 ZINC000570676000 323066788 /nfs/dbraw/zinc/06/67/88/323066788.db2.gz ZRKSQEFUSFCUGV-JTQLQIEISA-N 0 3 249.314 0.968 20 0 BCADHN CC(C)[C@@H](O)CCNC[C@@H](C)S(C)(=O)=O ZINC000570683636 323067033 /nfs/dbraw/zinc/06/70/33/323067033.db2.gz YZCDFQHBTUMLMD-ZJUUUORDSA-N 0 3 237.365 0.416 20 0 BCADHN CCN1C[C@@H](C)N(C(=O)c2cnc[nH]2)[C@@H](C)C1 ZINC000570696916 323067698 /nfs/dbraw/zinc/06/76/98/323067698.db2.gz SUHRVWBMHGQOAF-AOOOYVTPSA-N 0 3 236.319 0.964 20 0 BCADHN CC(=O)NCCCN[C@H](C)c1cncnc1C ZINC000570740087 323069239 /nfs/dbraw/zinc/06/92/39/323069239.db2.gz YTIINGXHCZJPPQ-SECBINFHSA-N 0 3 236.319 0.962 20 0 BCADHN COCC1(CN2CC(C)(C(N)=O)C2)CCC1 ZINC000570797745 323070718 /nfs/dbraw/zinc/07/07/18/323070718.db2.gz FFQAWYZMJIMYGJ-UHFFFAOYSA-N 0 3 226.320 0.610 20 0 BCADHN C[C@H]1CCN(CC(=O)NCCOCC2CC2)C1 ZINC000570813006 323071281 /nfs/dbraw/zinc/07/12/81/323071281.db2.gz GDURAHGLKQANKV-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN CC[C@@H](C(=O)N1Cc2cncnc2C1)N(C)C ZINC000570812896 323071368 /nfs/dbraw/zinc/07/13/68/323071368.db2.gz BBDDLUFPBUJMLK-NSHDSACASA-N 0 3 234.303 0.659 20 0 BCADHN CC[C@](C)(CCO)NC(=O)CN1CC[C@@H](C)C1 ZINC000570823224 323071602 /nfs/dbraw/zinc/07/16/02/323071602.db2.gz FMBKWEFVRYXLFC-DGCLKSJQSA-N 0 3 242.363 0.996 20 0 BCADHN CC1(C(N)=O)CN(Cc2ccc3[nH]cnc3c2)C1 ZINC000570845046 323072448 /nfs/dbraw/zinc/07/24/48/323072448.db2.gz GBLHIENOXXDTTL-UHFFFAOYSA-N 0 3 244.298 0.870 20 0 BCADHN CC1(C(N)=O)CN(Cc2ccc3nc[nH]c3c2)C1 ZINC000570845046 323072449 /nfs/dbraw/zinc/07/24/49/323072449.db2.gz GBLHIENOXXDTTL-UHFFFAOYSA-N 0 3 244.298 0.870 20 0 BCADHN NCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000570928348 323074507 /nfs/dbraw/zinc/07/45/07/323074507.db2.gz GFQTZMGIKUAUCS-UHFFFAOYSA-N 0 3 221.260 0.066 20 0 BCADHN C[C@H]1CCCCN1CCCS(N)(=O)=O ZINC000068455351 323076943 /nfs/dbraw/zinc/07/69/43/323076943.db2.gz VFVJTTBHVIUBQU-VIFPVBQESA-N 0 3 220.338 0.539 20 0 BCADHN NC1(C(=O)N2CCC[C@H]3COCC[C@@H]32)CC1 ZINC000562972294 323077535 /nfs/dbraw/zinc/07/75/35/323077535.db2.gz WHTXNKNXTKDMBD-UWVGGRQHSA-N 0 3 224.304 0.505 20 0 BCADHN C[C@@H](CNCCCn1cccn1)S(C)(=O)=O ZINC000562988785 323078364 /nfs/dbraw/zinc/07/83/64/323078364.db2.gz SPWFNULPXKCSAE-JTQLQIEISA-N 0 3 245.348 0.296 20 0 BCADHN CN(C)C/C=C\C(=O)N1CC[C@@H](O)C(C)(C)C1 ZINC000492017453 323084167 /nfs/dbraw/zinc/08/41/67/323084167.db2.gz RERCBRNMYOYWPW-ISALQUGTSA-N 0 3 240.347 0.724 20 0 BCADHN CC1(C(N)=O)CN(CC[C@H]2CCCO2)C1 ZINC000563066904 323084188 /nfs/dbraw/zinc/08/41/88/323084188.db2.gz CNIITPTVYSBCBB-SECBINFHSA-N 0 3 212.293 0.363 20 0 BCADHN COCc1csc(NC(=O)[C@@H](CN)OC)n1 ZINC000563073502 323084825 /nfs/dbraw/zinc/08/48/25/323084825.db2.gz YPGNFFDJUYCXFM-SSDOTTSWSA-N 0 3 245.304 0.202 20 0 BCADHN C[C@@H](O)CN1CCOC2(CCOCC2)CC1 ZINC000531206586 323085370 /nfs/dbraw/zinc/08/53/70/323085370.db2.gz CBAWWHGJIDUGCF-LLVKDONJSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)/C=C\CN(C)C)CO1 ZINC000493191140 323085575 /nfs/dbraw/zinc/08/55/75/323085575.db2.gz TYGROYALTMXFHK-BYIQDMNASA-N 0 3 212.293 0.398 20 0 BCADHN CCO[C@H](CC)C(=O)N(C)CCN(C)C ZINC000531249904 323086522 /nfs/dbraw/zinc/08/65/22/323086522.db2.gz RVZZHZADBORYCA-SNVBAGLBSA-N 0 3 216.325 0.822 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)C2(O)CCCC2)C1 ZINC000531260274 323086678 /nfs/dbraw/zinc/08/66/78/323086678.db2.gz WEUHIEWJYWVLLG-LLVKDONJSA-N 0 3 240.347 0.750 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)C1CCOCC1 ZINC000563117423 323093282 /nfs/dbraw/zinc/09/32/82/323093282.db2.gz ZIJQCHRTHRINFN-VIFPVBQESA-N 0 3 248.273 0.526 20 0 BCADHN CC[C@@H](NC[C@H](O)COC)[C@@H](O)C(F)(F)F ZINC000563137601 323094804 /nfs/dbraw/zinc/09/48/04/323094804.db2.gz HRUFDSPMZQWDEL-XLPZGREQSA-N 0 3 245.241 0.285 20 0 BCADHN C[C@@H](CN[C@H]1CCCC[C@@H]1O)S(C)(=O)=O ZINC000563144027 323095293 /nfs/dbraw/zinc/09/52/93/323095293.db2.gz VJCUGUNRRCFLIV-GUBZILKMSA-N 0 3 235.349 0.313 20 0 BCADHN Nc1ccccc1NC(=O)COC1CNC1 ZINC000563147363 323095467 /nfs/dbraw/zinc/09/54/67/323095467.db2.gz YHCYMMCEJZDGST-UHFFFAOYSA-N 0 3 221.260 0.196 20 0 BCADHN CC[C@H](C)C[C@H](NC(=O)[C@@H](C)N)C(=O)OC ZINC000563169093 323099700 /nfs/dbraw/zinc/09/97/00/323099700.db2.gz FKNVTOHKFRLLDJ-YIZRAAEISA-N 0 3 230.308 0.428 20 0 BCADHN C[C@@H](CNS(=O)(=O)N(C)C)CN1CCCC1 ZINC000096999960 323104910 /nfs/dbraw/zinc/10/49/10/323104910.db2.gz AAGKKMOYOHOCGN-JTQLQIEISA-N 0 3 249.380 0.114 20 0 BCADHN CC(=O)N1CC(N[C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000571060362 323106315 /nfs/dbraw/zinc/10/63/15/323106315.db2.gz MFVOEBICMPGXBO-VAOFZXAKSA-N 0 3 212.293 0.373 20 0 BCADHN CCCN(CC)[C@@H](C)C(=O)NCC(=O)OC ZINC000534274723 323115321 /nfs/dbraw/zinc/11/53/21/323115321.db2.gz HROUXAXYYBARDN-VIFPVBQESA-N 0 3 230.308 0.396 20 0 BCADHN CCN(C)C(=O)CNC[C@H](O)CC(F)(F)F ZINC000307940759 323119788 /nfs/dbraw/zinc/11/97/88/323119788.db2.gz NQKDFKHXTPGVDV-SSDOTTSWSA-N 0 3 242.241 0.368 20 0 BCADHN C[C@H]1COCCN1C(=O)CN1CCC(C)(C)C1 ZINC000563395212 323122531 /nfs/dbraw/zinc/12/25/31/323122531.db2.gz BUAOLQOFXNVFHB-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCOC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000563395056 323122580 /nfs/dbraw/zinc/12/25/80/323122580.db2.gz DUXLCMUIYWHRML-JTQLQIEISA-N 0 3 226.320 0.576 20 0 BCADHN CN(C)CCN(C)c1nccc2c(=O)[nH]cnc21 ZINC000563421857 323124038 /nfs/dbraw/zinc/12/40/38/323124038.db2.gz VRZRYDQVRNCDFC-UHFFFAOYSA-N 0 3 247.302 0.728 20 0 BCADHN O=C1NCC[C@]12CCCN2CCCn1ccnc1 ZINC000565168171 323128876 /nfs/dbraw/zinc/12/88/76/323128876.db2.gz BNSGSYMDKGTTIO-CYBMUJFWSA-N 0 3 248.330 0.628 20 0 BCADHN NC1(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)CCC1 ZINC000563533761 323129413 /nfs/dbraw/zinc/12/94/13/323129413.db2.gz FVLZJSNKZWCPHC-OPRDCNLKSA-N 0 3 224.304 0.552 20 0 BCADHN CCn1nncc1CNCCN1CC[C@H](C)C1 ZINC000563588072 323130696 /nfs/dbraw/zinc/13/06/96/323130696.db2.gz RNPGNBBGFIMVQL-NSHDSACASA-N 0 3 237.351 0.729 20 0 BCADHN COCCN(C)C[C@H](O)Cn1nc(C)cc1C ZINC000310415766 323131065 /nfs/dbraw/zinc/13/10/65/323131065.db2.gz POVZDWUZRJEQQB-LBPRGKRZSA-N 0 3 241.335 0.439 20 0 BCADHN NCc1noc(C[C@@H](N)c2ccccc2)n1 ZINC000563625132 323132328 /nfs/dbraw/zinc/13/23/28/323132328.db2.gz VIMXXYHPKWATST-SECBINFHSA-N 0 3 218.260 0.771 20 0 BCADHN CC1(C)CN(CC[C@H]2CCNC2=O)CCO1 ZINC000563630480 323132568 /nfs/dbraw/zinc/13/25/68/323132568.db2.gz IRQIFYLVRRINEH-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN c1[nH]nc2ncnc(N3C[C@H]4CCC[C@@H](C3)N4)c12 ZINC000563663427 323134108 /nfs/dbraw/zinc/13/41/08/323134108.db2.gz SQNWXJAQDLDZHN-DTORHVGOSA-N 0 3 244.302 0.684 20 0 BCADHN CCO[C@@H]1C[C@H](NCCC(N)=O)[C@]12CCCO2 ZINC000571075853 323134948 /nfs/dbraw/zinc/13/49/48/323134948.db2.gz DQMWFOOVSDKKJK-HOSYDEDBSA-N 0 3 242.319 0.178 20 0 BCADHN Cc1nc([C@@H](C)N2C[C@H](O)[C@@H](N(C)C)C2)no1 ZINC000571104799 323135649 /nfs/dbraw/zinc/13/56/49/323135649.db2.gz TWEAVLFOFDWVFE-JEZHCXPESA-N 0 3 240.307 0.046 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCC[C@@]23CCNC3=O)O1 ZINC000571223139 323138476 /nfs/dbraw/zinc/13/84/76/323138476.db2.gz RMCKTMYAMZALDA-WZRBSPASSA-N 0 3 238.331 0.908 20 0 BCADHN CCc1ncncc1C(=O)NC[C@H](C)N(C)C ZINC000571264061 323139548 /nfs/dbraw/zinc/13/95/48/323139548.db2.gz WCQXRSKZPOJLDR-VIFPVBQESA-N 0 3 236.319 0.719 20 0 BCADHN C[C@H]1NCCN(C(=O)Cc2ccc(N)cn2)[C@H]1C ZINC000571327257 323141539 /nfs/dbraw/zinc/14/15/39/323141539.db2.gz XZUWWGYFGWAKBU-ZJUUUORDSA-N 0 3 248.330 0.415 20 0 BCADHN Cc1ncc(CNCC[C@H](C)[S@@](C)=O)n1C ZINC000571344015 323142108 /nfs/dbraw/zinc/14/21/08/323142108.db2.gz BCQGDRHSWLHCGK-XXFAHNHDSA-N 0 3 243.376 0.975 20 0 BCADHN Cc1ncc(CNCC[C@H](C)[S@](C)=O)n1C ZINC000571344012 323142132 /nfs/dbraw/zinc/14/21/32/323142132.db2.gz BCQGDRHSWLHCGK-FVMDXXJSSA-N 0 3 243.376 0.975 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@H]1NC1(COC)CC1 ZINC000571394929 323143434 /nfs/dbraw/zinc/14/34/34/323143434.db2.gz BDNCFCTVBKUKDF-ZJUUUORDSA-N 0 3 242.319 0.049 20 0 BCADHN Cn1nncc1CN1CCNCc2ccccc21 ZINC000394842752 323143718 /nfs/dbraw/zinc/14/37/18/323143718.db2.gz YCHAHGRRZJKWEZ-UHFFFAOYSA-N 0 3 243.314 0.925 20 0 BCADHN CO[C@@H](C[NH3+])CC(=O)Nc1cc(F)ccc1[O-] ZINC000571407552 323143801 /nfs/dbraw/zinc/14/38/01/323143801.db2.gz HEPBJKLWXQZDCC-MRVPVSSYSA-N 0 3 242.250 0.834 20 0 BCADHN CC1(C)CC[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC000571414414 323143950 /nfs/dbraw/zinc/14/39/50/323143950.db2.gz OQPKCAPOBKQDKV-SECBINFHSA-N 0 3 239.319 0.753 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cnc(N(C)C)nc1 ZINC000571418088 323144432 /nfs/dbraw/zinc/14/44/32/323144432.db2.gz UYFCYIUEKIGMFS-ZETCQYMHSA-N 0 3 223.280 0.089 20 0 BCADHN COCCOCCN1CCNC[C@@H]1C(F)F ZINC000571446792 323144837 /nfs/dbraw/zinc/14/48/37/323144837.db2.gz YDVMZTXATBNAMB-SECBINFHSA-N 0 3 238.278 0.188 20 0 BCADHN CC[C@@H](N)C(=O)N(C[C@H](C)C(=O)OC)C1CC1 ZINC000571444050 323144979 /nfs/dbraw/zinc/14/49/79/323144979.db2.gz PZEGFXVZXBWMNF-WCBMZHEXSA-N 0 3 242.319 0.524 20 0 BCADHN CC[C@](C)(CO)C(=O)NCCN(C)C1CC1 ZINC000571534893 323147189 /nfs/dbraw/zinc/14/71/89/323147189.db2.gz IGIAVMYHQYYPNO-GFCCVEGCSA-N 0 3 228.336 0.605 20 0 BCADHN COCCC(=O)N[C@@H]1CNCCC1(F)F ZINC000567165655 323150015 /nfs/dbraw/zinc/15/00/15/323150015.db2.gz QYFRYYYLNBTSQP-SSDOTTSWSA-N 0 3 222.235 0.136 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc2c(c1)CCN2 ZINC000571633977 323150199 /nfs/dbraw/zinc/15/01/99/323150199.db2.gz IVUBRVPVSJINOY-LLVKDONJSA-N 0 3 235.287 0.567 20 0 BCADHN Cc1cc(C(=O)N(C)CCN(C)C)ncn1 ZINC000534658327 323157884 /nfs/dbraw/zinc/15/78/84/323157884.db2.gz DOHWRUOYJGAFDZ-UHFFFAOYSA-N 0 3 222.292 0.419 20 0 BCADHN CC[C@H]([NH3+])CNC(=O)c1cccc(OC)c1[O-] ZINC000111303777 323158760 /nfs/dbraw/zinc/15/87/60/323158760.db2.gz KDFRSCHUCSQBAW-QMMMGPOBSA-N 0 3 238.287 0.868 20 0 BCADHN CC[C@@H](NC[C@@](C)(O)COC)c1cnn(C)c1 ZINC000531966943 323159801 /nfs/dbraw/zinc/15/98/01/323159801.db2.gz CITGULXUFKUTTK-VXGBXAGGSA-N 0 3 241.335 0.858 20 0 BCADHN C[C@@H](O)[C@@H]1CCCN(CC(=O)N2CCC2)C1 ZINC000534845511 323161184 /nfs/dbraw/zinc/16/11/84/323161184.db2.gz FVFQRCZLKGECLU-GHMZBOCLSA-N 0 3 226.320 0.312 20 0 BCADHN CCN1C[C@H](C)N(Cc2nncn2C)C[C@H]1C ZINC000535026920 323163384 /nfs/dbraw/zinc/16/33/84/323163384.db2.gz ZEEMXPPPXZHURK-MNOVXSKESA-N 0 3 237.351 0.730 20 0 BCADHN CC[C@@H](O)CN1C[C@H](C)N(C)C[C@H]1C ZINC000535072977 323165494 /nfs/dbraw/zinc/16/54/94/323165494.db2.gz JGKYPQOLWTZUED-HBNTYKKESA-N 0 3 200.326 0.782 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@@H]([C@H](C)O)C1 ZINC000305168832 323168268 /nfs/dbraw/zinc/16/82/68/323168268.db2.gz ITXKSAXFFBPEME-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN COCC1(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC000563727332 323176049 /nfs/dbraw/zinc/17/60/49/323176049.db2.gz SERWEBWAVGCOKO-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H](CN[C@H]1CCO[C@H]1C)S(C)(=O)=O ZINC000308653977 323176696 /nfs/dbraw/zinc/17/66/96/323176696.db2.gz MULNKIJODSSYBK-VGMNWLOBSA-N 0 3 221.322 0.187 20 0 BCADHN CCN1C[C@H](N[C@@H]2C[C@@H](C)O[C@@H]2C)CC1=O ZINC000391546684 323176766 /nfs/dbraw/zinc/17/67/66/323176766.db2.gz QORYHJTXAMGESK-GWOFURMSSA-N 0 3 226.320 0.763 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000398621553 323187238 /nfs/dbraw/zinc/18/72/38/323187238.db2.gz GWBZWHKGVCXUNU-FIQHERPVSA-N 0 3 242.363 0.898 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H](CO)[C@H]1C ZINC000395158662 323189439 /nfs/dbraw/zinc/18/94/39/323189439.db2.gz CUDDEFILOLFUBA-ZJUUUORDSA-N 0 3 214.309 0.167 20 0 BCADHN C[C@@]1(O)CCCN(CCCN2CCCC2=O)C1 ZINC000535756162 323190570 /nfs/dbraw/zinc/19/05/70/323190570.db2.gz ZDTFOXXSIJWNRQ-CYBMUJFWSA-N 0 3 240.347 0.846 20 0 BCADHN Cc1ncc(C(=O)NCCN2CC[C@H](C)C2)[nH]1 ZINC000535879722 323193779 /nfs/dbraw/zinc/19/37/79/323193779.db2.gz OJKBRBBITLIHTC-VIFPVBQESA-N 0 3 236.319 0.790 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)ncn1 ZINC000536183810 323196461 /nfs/dbraw/zinc/19/64/61/323196461.db2.gz LYTKDZOESFUPHK-WDEREUQCSA-N 0 3 248.330 0.998 20 0 BCADHN O=C1CCN(Cc2ccc3[nH]cnc3c2)CCN1 ZINC000536684663 323200860 /nfs/dbraw/zinc/20/08/60/323200860.db2.gz VWOFOQVVXXXCRD-UHFFFAOYSA-N 0 3 244.298 0.885 20 0 BCADHN O=C1CCN(Cc2ccc3nc[nH]c3c2)CCN1 ZINC000536684663 323200861 /nfs/dbraw/zinc/20/08/61/323200861.db2.gz VWOFOQVVXXXCRD-UHFFFAOYSA-N 0 3 244.298 0.885 20 0 BCADHN COC(=O)CCN1C[C@@H](O)CC[C@@H]1C ZINC000399328853 323203945 /nfs/dbraw/zinc/20/39/45/323203945.db2.gz XSJQVHLTHGYQAD-IUCAKERBSA-N 0 3 201.266 0.395 20 0 BCADHN CCC(CC)(CC(=O)OC)NC(=O)[C@H](C)NC ZINC000563898856 323208053 /nfs/dbraw/zinc/20/80/53/323208053.db2.gz SDPNSECRBKWJTG-VIFPVBQESA-N 0 3 244.335 0.832 20 0 BCADHN CO[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O ZINC000395381047 323224763 /nfs/dbraw/zinc/22/47/63/323224763.db2.gz RJXRZZNAZAJWAQ-HBNTYKKESA-N 0 3 215.293 0.247 20 0 BCADHN CN1CC[C@@H](NCc2cccc(C(N)=O)c2)C1 ZINC000042547270 323249241 /nfs/dbraw/zinc/24/92/41/323249241.db2.gz SSDWBDUZBZGSNW-GFCCVEGCSA-N 0 3 233.315 0.579 20 0 BCADHN O=C(NCCCF)N[C@@H]1CCN(C2CC2)C1 ZINC000532618134 323278874 /nfs/dbraw/zinc/27/88/74/323278874.db2.gz GPEQRFJQTBILLZ-SECBINFHSA-N 0 3 229.299 0.882 20 0 BCADHN CCC(C)(C)NC(=O)NC[C@@H]1CNCCO1 ZINC000396027087 323283727 /nfs/dbraw/zinc/28/37/27/323283727.db2.gz UYQCOUIQUUAETR-VIFPVBQESA-N 0 3 229.324 0.463 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H]([C@H](C)O)C1)N(C)C ZINC000532632019 323285116 /nfs/dbraw/zinc/28/51/16/323285116.db2.gz XYGLHSPGJBQFLN-SDDRHHMPSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H]([C@H](C)O)C1)N(C)C ZINC000532632018 323284808 /nfs/dbraw/zinc/28/48/08/323284808.db2.gz XYGLHSPGJBQFLN-QJPTWQEYSA-N 0 3 242.363 0.946 20 0 BCADHN CO[C@@H](C(=O)NC[C@@H]1CCCN(C)C1)C1CC1 ZINC000526875079 323304744 /nfs/dbraw/zinc/30/47/44/323304744.db2.gz GHRMDZHDNJKATD-CMPLNLGQSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H](N[C@@H]1CN(C)C[C@H]1C)C(=O)N(C)C ZINC000309082059 323314710 /nfs/dbraw/zinc/31/47/10/323314710.db2.gz RDDKQEOPPVHCFX-OPRDCNLKSA-N 0 3 213.325 0.003 20 0 BCADHN CC1CC(NC[C@@H]2CS(=O)(=O)CCO2)C1 ZINC000309096319 323316213 /nfs/dbraw/zinc/31/62/13/323316213.db2.gz CXVWQGHSBZXBIU-UDNWOFFPSA-N 0 3 233.333 0.188 20 0 BCADHN CC1CC(NC[C@H]2CS(=O)(=O)CCO2)C1 ZINC000309096318 323316414 /nfs/dbraw/zinc/31/64/14/323316414.db2.gz CXVWQGHSBZXBIU-RTBKNWGFSA-N 0 3 233.333 0.188 20 0 BCADHN CC[C@@H](CN(C)[C@H]1CCC(=O)N(C)C1)OC ZINC000563969280 323335209 /nfs/dbraw/zinc/33/52/09/323335209.db2.gz PDGMBUBLVFVXNP-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1CC[C@]2(CCN([C@H]3CC(=O)NC3=O)C2)C1 ZINC000565158911 323344733 /nfs/dbraw/zinc/34/47/33/323344733.db2.gz VZYMWXQFHFPQCG-NRUUGDAUSA-N 0 3 236.315 0.914 20 0 BCADHN CC[C@H](N)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000309393772 323371328 /nfs/dbraw/zinc/37/13/28/323371328.db2.gz GGQCMIKIBGAXDV-MRTMQBJTSA-N 0 3 214.309 0.796 20 0 BCADHN CCOC[C@H](O)CNCc1cccc(CO)n1 ZINC000571800801 323482819 /nfs/dbraw/zinc/48/28/19/323482819.db2.gz LSDZBAPLYAPUCS-GFCCVEGCSA-N 0 3 240.303 0.061 20 0 BCADHN CCC[C@@H](NC(=O)[C@H](C)NC)C(=O)OC ZINC000572016528 323517784 /nfs/dbraw/zinc/51/77/84/323517784.db2.gz XJSRDELNYPQMNP-JGVFFNPUSA-N 0 3 216.281 0.052 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC000571998515 323519400 /nfs/dbraw/zinc/51/94/00/323519400.db2.gz LLANBWLTVUJPTI-WDEREUQCSA-N 0 3 248.330 0.496 20 0 BCADHN CC[C@H]1C[C@@H](NC(=O)[C@@H](C)N)CCO1 ZINC000572361917 323608334 /nfs/dbraw/zinc/60/83/34/323608334.db2.gz INQUYYNWFKAYGE-VGMNWLOBSA-N 0 3 200.282 0.407 20 0 BCADHN CCc1cc(N2C[C@@H](CO)[C@H](CO)C2)ccn1 ZINC000528108789 323765347 /nfs/dbraw/zinc/76/53/47/323765347.db2.gz GICJASCHAHVUQJ-QWRGUYRKSA-N 0 3 236.315 0.681 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000036871756 323765621 /nfs/dbraw/zinc/76/56/21/323765621.db2.gz HIXLDNLIWAFXSU-DJLDLDEBSA-N 0 3 200.282 0.360 20 0 BCADHN 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ZINC000162836512 324120989 /nfs/dbraw/zinc/12/09/89/324120989.db2.gz GQSYTHPAUYKYTO-VIFPVBQESA-N 0 3 216.325 0.868 20 0 BCADHN CN[C@@H](C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000572496732 324133454 /nfs/dbraw/zinc/13/34/54/324133454.db2.gz UVDURPYWSKROFI-QMMMGPOBSA-N 0 3 232.287 0.787 20 0 BCADHN C[C@H](CNCCOC(C)(C)C)S(C)(=O)=O ZINC000517733038 324176674 /nfs/dbraw/zinc/17/66/74/324176674.db2.gz WGFKOVLGRULGEG-SECBINFHSA-N 0 3 237.365 0.824 20 0 BCADHN CCOCCN(C)CCN1CCOC[C@@H]1C ZINC000192776953 324200174 /nfs/dbraw/zinc/20/01/74/324200174.db2.gz MKYUIKIBSQPMAW-LBPRGKRZSA-N 0 3 230.352 0.675 20 0 BCADHN CCN(CC(=O)NCCC(=O)OC)C1CCC1 ZINC000523444218 324207258 /nfs/dbraw/zinc/20/72/58/324207258.db2.gz PNAXKUTUFPTUBP-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)c1cccnn1 ZINC000529500078 324316607 /nfs/dbraw/zinc/31/66/07/324316607.db2.gz AQNNIJNMKUCQFD-SNVBAGLBSA-N 0 3 234.303 0.643 20 0 BCADHN Cc1cncn1CC(=O)N(C)Cc1cnc[nH]1 ZINC000529522811 324323917 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241.335 0.243 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1)c1ccncc1 ZINC000530220890 324538816 /nfs/dbraw/zinc/53/88/16/324538816.db2.gz KAJYERGUMKMTHC-CMPLNLGQSA-N 0 3 221.304 0.721 20 0 BCADHN Cn1cc2ccc(CNCCC(N)=O)cc2n1 ZINC000530237264 324552574 /nfs/dbraw/zinc/55/25/74/324552574.db2.gz CTDNUZCWHXPMCN-UHFFFAOYSA-N 0 3 232.287 0.538 20 0 BCADHN O[C@@H](CNCC12CC(C1)CO2)C(F)(F)F ZINC000530242043 324553936 /nfs/dbraw/zinc/55/39/36/324553936.db2.gz LPSGECJKQQTIMS-WTIBDHCWSA-N 0 3 225.210 0.678 20 0 BCADHN CN(C)CCS[C@H]1CCCN(C)C1=O ZINC000538705900 324725760 /nfs/dbraw/zinc/72/57/60/324725760.db2.gz GQGHUEHTUGFGCQ-VIFPVBQESA-N 0 3 216.350 0.902 20 0 BCADHN CC(C)NC(=O)[C@H]1CNCCC1(F)F ZINC000306405615 487965572 /nfs/dbraw/zinc/96/55/72/487965572.db2.gz JXMCASVCWOXFQW-SSDOTTSWSA-N 0 3 206.236 0.756 20 0 BCADHN CC[C@H](NCCCC(=O)NC)c1ccn(C)n1 ZINC000542669526 325040331 /nfs/dbraw/zinc/04/03/31/325040331.db2.gz LKOLTFLZXHLZKO-JTQLQIEISA-N 0 3 238.335 0.987 20 0 BCADHN COC[C@H](O)CN[C@H](CO)c1ccccc1C ZINC000542912482 325062101 /nfs/dbraw/zinc/06/21/01/325062101.db2.gz LUZQWIXEPKFPSS-DGCLKSJQSA-N 0 3 239.315 0.625 20 0 BCADHN CCNC(=O)NC(=O)CN[C@@H](COC)C(C)C ZINC000543454289 325089647 /nfs/dbraw/zinc/08/96/47/325089647.db2.gz DERCXUNPZJIPCA-VIFPVBQESA-N 0 3 245.323 0.093 20 0 BCADHN CC[C@@H]1CCN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000131269516 325133643 /nfs/dbraw/zinc/13/36/43/325133643.db2.gz NFFOYTGZUIQMGI-DTWKUNHWSA-N 0 3 233.333 0.678 20 0 BCADHN CC(C)C1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000072717586 325169541 /nfs/dbraw/zinc/16/95/41/325169541.db2.gz BKUJCNIQJGQXIW-VIFPVBQESA-N 0 3 241.335 0.938 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CCC(C)(CO)CC1 ZINC000131945006 325192800 /nfs/dbraw/zinc/19/28/00/325192800.db2.gz ILIPVTCVFGDPHI-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN CN(C)Cc1ccccc1CNS(N)(=O)=O ZINC000074038980 325223918 /nfs/dbraw/zinc/22/39/18/325223918.db2.gz QBZDRAWOOZTOTD-UHFFFAOYSA-N 0 3 243.332 0.041 20 0 BCADHN CC[C@H](C(=O)N(C)CCCOC)N(C)C ZINC000132725805 325241419 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YZBYWQGVQWFJCI-UHFFFAOYSA-N 0 3 242.319 0.002 20 0 BCADHN CCOC1CC(CCNC(=O)CN)C1 ZINC000565482175 325917281 /nfs/dbraw/zinc/91/72/81/325917281.db2.gz UIISYBVOFREBJS-UHFFFAOYSA-N 0 3 200.282 0.267 20 0 BCADHN COC(C)(C)CN(C)C(=O)CCOC1CNC1 ZINC000565592900 325927940 /nfs/dbraw/zinc/92/79/40/325927940.db2.gz YANVTTSMLCWKGJ-UHFFFAOYSA-N 0 3 244.335 0.248 20 0 BCADHN CNCC(=O)N1CCSC2(CCOCC2)C1 ZINC000565607236 325934220 /nfs/dbraw/zinc/93/42/20/325934220.db2.gz ZTRUDUFRTVGGDV-UHFFFAOYSA-N 0 3 244.360 0.330 20 0 BCADHN COC(C)(C)CNC[C@@H](C)S(C)(=O)=O ZINC000565653235 325938837 /nfs/dbraw/zinc/93/88/37/325938837.db2.gz DGGRNDHOCNHLRO-MRVPVSSYSA-N 0 3 223.338 0.434 20 0 BCADHN CCC(=O)Nc1cccc(CNC(=O)[C@H](C)N)c1 ZINC000565717119 325947601 /nfs/dbraw/zinc/94/76/01/325947601.db2.gz VDPNTEKOLMQKDM-VIFPVBQESA-N 0 3 249.314 0.999 20 0 BCADHN Cc1ncc2c(n1)CCN(C(=O)[C@H](N)C(C)C)C2 ZINC000566168024 326005875 /nfs/dbraw/zinc/00/58/75/326005875.db2.gz NUJZKWWHVHYCRW-GFCCVEGCSA-N 0 3 248.330 0.653 20 0 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CC(C)n1ncnc1CNC(=O)C1(N)CCC1 ZINC000566195935 326010724 /nfs/dbraw/zinc/01/07/24/326010724.db2.gz VAFIRFRUYLHYKJ-UHFFFAOYSA-N 0 3 237.307 0.357 20 0 BCADHN Cc1nc2ccc(NC(=O)[C@H](C)N)cn2n1 ZINC000566197340 326011220 /nfs/dbraw/zinc/01/12/20/326011220.db2.gz WXONHQHNFSLFRB-LURJTMIESA-N 0 3 219.248 0.323 20 0 BCADHN O=S(=O)([N-]C[C@H]1CCC[NH2+]1)c1cscn1 ZINC000566215501 326015951 /nfs/dbraw/zinc/01/59/51/326015951.db2.gz VQBQJBSSJCEANV-SSDOTTSWSA-N 0 3 247.345 0.173 20 0 BCADHN Cn1nccc1CN1CCNC[C@H]1C(F)F ZINC000566230000 326019339 /nfs/dbraw/zinc/01/93/39/326019339.db2.gz YQERISFVMHMYGC-VIFPVBQESA-N 0 3 230.262 0.459 20 0 BCADHN COC[C@H](N)C(=O)N1CCNCc2ccccc21 ZINC000566237369 326021243 /nfs/dbraw/zinc/02/12/43/326021243.db2.gz RPSLXWHISZKGPI-NSHDSACASA-N 0 3 249.314 0.097 20 0 BCADHN NCC(=O)N1CC[C@H](OCc2ccncc2)C1 ZINC000566249834 326024075 /nfs/dbraw/zinc/02/40/75/326024075.db2.gz NYNCRURHMCRWEU-NSHDSACASA-N 0 3 235.287 0.158 20 0 BCADHN O=C([N-]c1nnc2ccccn21)[C@]12C[C@H]1CC[NH2+]2 ZINC000566288799 326029165 /nfs/dbraw/zinc/02/91/65/326029165.db2.gz HNAKDRGVDFJTQN-PELKAZGASA-N 0 3 243.270 0.420 20 0 BCADHN CCN(C[C@@H]1CCCC[C@H]1O)[C@@H]1CCNC1=O ZINC000566306176 326031785 /nfs/dbraw/zinc/03/17/85/326031785.db2.gz IPRXRLOIBBQZRJ-QJPTWQEYSA-N 0 3 240.347 0.748 20 0 BCADHN COCCNCC(=O)N1CCOCC12CCC2 ZINC000566405441 326040225 /nfs/dbraw/zinc/04/02/25/326040225.db2.gz ASROYWUKRFRDKJ-UHFFFAOYSA-N 0 3 242.319 0.004 20 0 BCADHN CC(C)(O)CCN1CCC[C@@]12CCNC2=O ZINC000566425980 326040836 /nfs/dbraw/zinc/04/08/36/326040836.db2.gz KEKMMKWMYVVCLT-LBPRGKRZSA-N 0 3 226.320 0.502 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CC[C@@H](c2ccncc2)C1 ZINC000566426018 326044887 /nfs/dbraw/zinc/04/48/87/326044887.db2.gz LHVQJPNRKCWQNF-FRRDWIJNSA-N 0 3 234.299 0.631 20 0 BCADHN CC[C@](C)(CO)C(=O)NCCN1CC[C@@H](C)C1 ZINC000566444367 326048225 /nfs/dbraw/zinc/04/82/25/326048225.db2.gz DYBSYAQBZNKUKG-DGCLKSJQSA-N 0 3 242.363 0.853 20 0 BCADHN CC[C@@H](O)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC000566445127 326048734 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/nfs/dbraw/zinc/12/05/29/326120529.db2.gz OZIKTCWSDGUMJH-UHFFFAOYSA-N 0 3 249.270 0.688 20 0 BCADHN CN1CCN(C(=O)CN2CCCCCC2)CC1 ZINC000154300874 326139213 /nfs/dbraw/zinc/13/92/13/326139213.db2.gz QOOAEJRSPATMDS-UHFFFAOYSA-N 0 3 239.363 0.636 20 0 BCADHN C[C@@H]1CCCN1CC(=O)N1CCOCC1 ZINC000154461932 326145337 /nfs/dbraw/zinc/14/53/37/326145337.db2.gz NFOBBLXMOPLELR-SNVBAGLBSA-N 0 3 212.293 0.330 20 0 BCADHN C[NH2+]CCNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000567233408 326147221 /nfs/dbraw/zinc/14/72/21/326147221.db2.gz JNJYPHFIAJZHGI-UHFFFAOYSA-N 0 3 236.271 0.544 20 0 BCADHN CCC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000154589853 326151920 /nfs/dbraw/zinc/15/19/20/326151920.db2.gz QJAJPCQBDJOUEG-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)c1cnn(C)c1 ZINC000154587070 326152001 /nfs/dbraw/zinc/15/20/01/326152001.db2.gz HHFPWFSXZCFOFQ-SNVBAGLBSA-N 0 3 224.308 0.900 20 0 BCADHN CN(C)[C@H]1CN(C(=O)[C@H]2C[C@@H]2C2CC2)C[C@@H]1O ZINC000567289724 326157025 /nfs/dbraw/zinc/15/70/25/326157025.db2.gz PMVVUFHDLCCXTI-RHYQMDGZSA-N 0 3 238.331 0.166 20 0 BCADHN C[C@](O)(CNC[C@H]1COCCO1)C(F)(F)F ZINC000309728424 326162652 /nfs/dbraw/zinc/16/26/52/326162652.db2.gz DSMPNINHVJBAKE-YUMQZZPRSA-N 0 3 243.225 0.305 20 0 BCADHN C[C@@](O)(CNC[C@@H]1COCCO1)C(F)(F)F ZINC000309728417 326165945 /nfs/dbraw/zinc/16/59/45/326165945.db2.gz DSMPNINHVJBAKE-HTQZYQBOSA-N 0 3 243.225 0.305 20 0 BCADHN CC(C)N1CCN(Cc2cnn(C)c2)CC1 ZINC000154834367 326166816 /nfs/dbraw/zinc/16/68/16/326166816.db2.gz QYRXLRYEAUQTAT-UHFFFAOYSA-N 0 3 222.336 0.946 20 0 BCADHN COCCn1cc(CNCC[C@@H](C)O)cn1 ZINC000309842717 326171596 /nfs/dbraw/zinc/17/15/96/326171596.db2.gz QQHFOIPQAXTOHP-SNVBAGLBSA-N 0 3 227.308 0.390 20 0 BCADHN CC1(C)CN(C(=O)CC(F)(F)CN)CCN1 ZINC000567362779 326174636 /nfs/dbraw/zinc/17/46/36/326174636.db2.gz BPYUQCXEFNUSCM-UHFFFAOYSA-N 0 3 235.278 0.181 20 0 BCADHN Cn1nccc1[C@@H](CO)NC[C@H](O)C(C)(C)C ZINC000567386074 326181180 /nfs/dbraw/zinc/18/11/80/326181180.db2.gz ZUMIGSBVIRCARI-KOLCDFICSA-N 0 3 241.335 0.450 20 0 BCADHN CCn1ncnc1CNC(=O)[C@H](C)NC1CC1 ZINC000567469496 326197734 /nfs/dbraw/zinc/19/77/34/326197734.db2.gz GEIBCICZKHNAML-QMMMGPOBSA-N 0 3 237.307 0.055 20 0 BCADHN C[C@@H](CC(C)(C)O)NC(=O)CN1CC[C@@H](C)C1 ZINC000567486514 326202540 /nfs/dbraw/zinc/20/25/40/326202540.db2.gz MGNJZKBGZBPAIS-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN COc1ccnc(NC(=O)[C@H](CN)OC)c1 ZINC000567499283 326204877 /nfs/dbraw/zinc/20/48/77/326204877.db2.gz QHKXJXZCDPBHIF-QMMMGPOBSA-N 0 3 225.248 0.002 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)CN(CC)CC ZINC000155784809 326212006 /nfs/dbraw/zinc/21/20/06/326212006.db2.gz UEIBHVZHBXZKCW-QWRGUYRKSA-N 0 3 230.352 0.851 20 0 BCADHN COC(C)(C)CN(C)C[C@@H]1COCCO1 ZINC000567571763 326220254 /nfs/dbraw/zinc/22/02/54/326220254.db2.gz TVRWAEPVGVKSHD-SNVBAGLBSA-N 0 3 217.309 0.759 20 0 BCADHN CC[C@@H](N)C(=O)N1CCNC[C@H]1c1ccncc1 ZINC000567589772 326224601 /nfs/dbraw/zinc/22/46/01/326224601.db2.gz DMVSEYBCDXZTHA-NEPJUHHUSA-N 0 3 248.330 0.292 20 0 BCADHN CCN(C)CCNC(=O)c1ccn(CC)n1 ZINC000567591150 326224750 /nfs/dbraw/zinc/22/47/50/326224750.db2.gz NLNOSOUUWNFLNA-UHFFFAOYSA-N 0 3 224.308 0.585 20 0 BCADHN O=C(CNC1CC1)N1CCCn2nccc21 ZINC000567670931 326242223 /nfs/dbraw/zinc/24/22/23/326242223.db2.gz RNYLAKPJVQLUGI-UHFFFAOYSA-N 0 3 220.276 0.372 20 0 BCADHN CO[C@H]1c2ccccc2C[C@H]1NCCC(N)=O ZINC000567692860 326246153 /nfs/dbraw/zinc/24/61/53/326246153.db2.gz FSXZVFPIMDYTRH-YPMHNXCESA-N 0 3 234.299 0.764 20 0 BCADHN CS[C@H]1CC[C@H]1N[C@H](C)C(=O)N(C)C ZINC000567722356 326251069 /nfs/dbraw/zinc/25/10/69/326251069.db2.gz BBZSFGZASYZVLT-HLTSFMKQSA-N 0 3 216.350 0.947 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000567737136 326253202 /nfs/dbraw/zinc/25/32/02/326253202.db2.gz JCNLQCMBWGCURU-WOPDTQHZSA-N 0 3 240.347 0.997 20 0 BCADHN CC(C)O[C@@H]1CCN(CC2(CO)COC2)C1 ZINC000567789927 326258695 /nfs/dbraw/zinc/25/86/95/326258695.db2.gz IPXJVQGOVBUJBR-LLVKDONJSA-N 0 3 229.320 0.495 20 0 BCADHN Cc1c[nH]c(NC(=O)CNC[C@@H]2CCCO2)n1 ZINC000567819161 326262825 /nfs/dbraw/zinc/26/28/25/326262825.db2.gz VNRNVNAFMIZIJI-VIFPVBQESA-N 0 3 238.291 0.425 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H](c1ncc[nH]1)C(C)C ZINC000567824517 326264132 /nfs/dbraw/zinc/26/41/32/326264132.db2.gz WICJIYJJOHPAPE-IUCAKERBSA-N 0 3 240.307 0.197 20 0 BCADHN CC(C)(C)NC(=O)CN1CCNC[C@@H]1C(F)F ZINC000567889675 326277133 /nfs/dbraw/zinc/27/71/33/326277133.db2.gz IQLWNVCKGHBUPK-MRVPVSSYSA-N 0 3 249.305 0.440 20 0 BCADHN CC(C)NC(=O)NCCN(C)C1(CO)CCC1 ZINC000567893876 326278309 /nfs/dbraw/zinc/27/83/09/326278309.db2.gz CWCRCQGHABWWJA-UHFFFAOYSA-N 0 3 243.351 0.541 20 0 BCADHN CCOC(=O)COCCSCCN(C)C ZINC000157781726 326295436 /nfs/dbraw/zinc/29/54/36/326295436.db2.gz LQJKRYYWJMYZET-UHFFFAOYSA-N 0 3 235.349 0.861 20 0 BCADHN CC(C)C(=O)NCCN(C)CCCCCO ZINC000157559080 326282868 /nfs/dbraw/zinc/28/28/68/326282868.db2.gz JSGWWYIVKGWIJC-UHFFFAOYSA-N 0 3 230.352 0.853 20 0 BCADHN CN(C)CCSCc1nnnn1C1CC1 ZINC000157844014 326298073 /nfs/dbraw/zinc/29/80/73/326298073.db2.gz YMUPCKPCCSKLKD-UHFFFAOYSA-N 0 3 227.337 0.803 20 0 BCADHN COC[C@@H](NC(=O)CNC1CC1)C1CC1 ZINC000157933690 326300625 /nfs/dbraw/zinc/30/06/25/326300625.db2.gz GNDGYPVCFPJBDN-SNVBAGLBSA-N 0 3 212.293 0.280 20 0 BCADHN COC[C@H](NC(=O)CNC1CC1)C1CC1 ZINC000157933545 326300853 /nfs/dbraw/zinc/30/08/53/326300853.db2.gz GNDGYPVCFPJBDN-JTQLQIEISA-N 0 3 212.293 0.280 20 0 BCADHN CC[C@H](NC(=O)[C@@H](C)N)[C@H]1CCCO1 ZINC000158018356 326304206 /nfs/dbraw/zinc/30/42/06/326304206.db2.gz FINDJPMOXFMGOG-HRDYMLBCSA-N 0 3 200.282 0.407 20 0 BCADHN CNCC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000568085733 326304429 /nfs/dbraw/zinc/30/44/29/326304429.db2.gz WIUYBBGJYILYAD-VHSXEESVSA-N 0 3 212.293 0.280 20 0 BCADHN Cc1occc1CN(C)C(=O)COC1CNC1 ZINC000568150783 326313263 /nfs/dbraw/zinc/31/32/63/326313263.db2.gz VMNHBHJWZFZSSN-UHFFFAOYSA-N 0 3 238.287 0.535 20 0 BCADHN C[C@@H](CC(=O)N1CCN[C@@H](C)C1)n1ccnc1 ZINC000568153068 326314067 /nfs/dbraw/zinc/31/40/67/326314067.db2.gz VIOOVAZRJBNAQR-QWRGUYRKSA-N 0 3 236.319 0.655 20 0 BCADHN CC(C(=O)N[C@H]1C=CCCC1)S(C)(=O)=O ZINC000158269788 326314280 /nfs/dbraw/zinc/31/42/80/326314280.db2.gz QAUGZIUZZVFIDR-BDAKNGLRSA-N 0 3 231.317 0.644 20 0 BCADHN CC(C(=O)N[C@H]1C=CCCC1)S(C)(=O)=O ZINC000158269657 326314322 /nfs/dbraw/zinc/31/43/22/326314322.db2.gz QAUGZIUZZVFIDR-IUCAKERBSA-N 0 3 231.317 0.644 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccnc2ccnn21 ZINC000158335386 326315715 /nfs/dbraw/zinc/31/57/15/326315715.db2.gz ZCCMWDVCRLIRBP-ZETCQYMHSA-N 0 3 219.248 0.405 20 0 BCADHN CCN(CC)CC(=O)N1CC(N(C)C)C1 ZINC000158379249 326316738 /nfs/dbraw/zinc/31/67/38/326316738.db2.gz HSSLPJHMLYQRBW-UHFFFAOYSA-N 0 3 213.325 0.101 20 0 BCADHN O=C1C[C@@H](N2CC[C@@H](CC3CC3)C2)C(=O)N1 ZINC000568163209 326317153 /nfs/dbraw/zinc/31/71/53/326317153.db2.gz RFFHGHSIZAITHM-VHSXEESVSA-N 0 3 222.288 0.524 20 0 BCADHN COc1cc(CNC(CO)CO)ccc1Cl ZINC000568176043 326320770 /nfs/dbraw/zinc/32/07/70/326320770.db2.gz OORWRHRVIBYMNJ-UHFFFAOYSA-N 0 3 245.706 0.791 20 0 BCADHN [O-]c1cccnc1CN1CCC[C@](O)(CO)C1 ZINC000568181478 326321528 /nfs/dbraw/zinc/32/15/28/326321528.db2.gz UETHQYYMRDGCGE-GFCCVEGCSA-N 0 3 238.287 0.106 20 0 BCADHN [O-]c1cccnc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000568181478 326321530 /nfs/dbraw/zinc/32/15/30/326321530.db2.gz UETHQYYMRDGCGE-GFCCVEGCSA-N 0 3 238.287 0.106 20 0 BCADHN [O-]c1cccnc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000568181478 326321531 /nfs/dbraw/zinc/32/15/31/326321531.db2.gz UETHQYYMRDGCGE-GFCCVEGCSA-N 0 3 238.287 0.106 20 0 BCADHN C[C@H](CCCO)NC(=O)CN1CCC(C)(C)C1 ZINC000568196635 326324764 /nfs/dbraw/zinc/32/47/64/326324764.db2.gz IVOJARRTWKSZFL-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@](C)(CO)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000568201709 326325162 /nfs/dbraw/zinc/32/51/62/326325162.db2.gz XIGOIRBQSCNNGV-NTZNESFSSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](CCCO)CNC(=O)CN1CC[C@@H](C)C1 ZINC000568228740 326329768 /nfs/dbraw/zinc/32/97/68/326329768.db2.gz IMWDSFICEYDZCT-VXGBXAGGSA-N 0 3 242.363 0.853 20 0 BCADHN CN[C@@H](C)C(=O)Nc1nnc2n1CCCC2 ZINC000568238785 326332170 /nfs/dbraw/zinc/33/21/70/326332170.db2.gz COBZIUVLBYOILY-ZETCQYMHSA-N 0 3 223.280 0.161 20 0 BCADHN Cc1ncc(CNC[C@@H](O)C(C)C)n1C ZINC000568273204 326339125 /nfs/dbraw/zinc/33/91/25/326339125.db2.gz MSOHOJQSWCHCNH-LLVKDONJSA-N 0 3 211.309 0.835 20 0 BCADHN COC[C@H](O)CN1CCOC[C@H]1C1CCC1 ZINC000568390503 326351397 /nfs/dbraw/zinc/35/13/97/326351397.db2.gz RMAAXMRVHBNFGL-NEPJUHHUSA-N 0 3 229.320 0.495 20 0 BCADHN O[C@H](CN[C@@H]1CC[C@@H](O)CC1)C(F)(F)F ZINC000568382742 326352041 /nfs/dbraw/zinc/35/20/41/326352041.db2.gz KAIZLKHHGZUHOC-BWZBUEFSSA-N 0 3 227.226 0.803 20 0 BCADHN CC(C)NC(=O)NCCN(C)CC[C@H](C)O ZINC000568385463 326352460 /nfs/dbraw/zinc/35/24/60/326352460.db2.gz GZTGAFLZZBMPQL-JTQLQIEISA-N 0 3 231.340 0.397 20 0 BCADHN CC(C)C(C)(C)NC(=O)NC[C@@H]1CNCCO1 ZINC000568522541 326362802 /nfs/dbraw/zinc/36/28/02/326362802.db2.gz ZAZGSNFANGKAKD-JTQLQIEISA-N 0 3 243.351 0.709 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000568630080 326368869 /nfs/dbraw/zinc/36/88/69/326368869.db2.gz MPUMHQSJZLJRGF-UMNHJUIQSA-N 0 3 238.331 0.764 20 0 BCADHN O=C(c1cc(-c2ccoc2)[nH]n1)N1CCNCC1 ZINC000568630125 326369059 /nfs/dbraw/zinc/36/90/59/326369059.db2.gz BZWKJQZMZPVEAT-UHFFFAOYSA-N 0 3 246.270 0.715 20 0 BCADHN CN[C@@H](C)C(=O)NCCCC(=O)OC(C)C ZINC000568653017 326371323 /nfs/dbraw/zinc/37/13/23/326371323.db2.gz ZKOIFXKLDZGAIN-VIFPVBQESA-N 0 3 230.308 0.442 20 0 BCADHN CC[C@@H]1CN(C)CCN1C(=O)CN(CC)CC ZINC000568673713 326372213 /nfs/dbraw/zinc/37/22/13/326372213.db2.gz QBINOPLHMJNDKI-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CCCN(CCS(=O)(=O)N(C)C)C(C)C ZINC000568900250 326382034 /nfs/dbraw/zinc/38/20/34/326382034.db2.gz WQJMQZVGZONXMO-UHFFFAOYSA-N 0 3 236.381 0.998 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000569223802 326396011 /nfs/dbraw/zinc/39/60/11/326396011.db2.gz AXIXFXDRNBWYHI-OUAUKWLOSA-N 0 3 240.347 0.997 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ncc(C(C)=O)s1 ZINC000569239224 326397007 /nfs/dbraw/zinc/39/70/07/326397007.db2.gz SVXIBCPWJZUBIR-YFKPBYRVSA-N 0 3 227.289 0.892 20 0 BCADHN Cc1ncc(CNC[C@H](CO)C2CC2)n1C ZINC000569260768 326398477 /nfs/dbraw/zinc/39/84/77/326398477.db2.gz VPDLQXPSDYLSAN-LLVKDONJSA-N 0 3 223.320 0.837 20 0 BCADHN CC(C)NC(=O)CN[C@H]1C[C@H](O)C1(C)C ZINC000163331398 326400324 /nfs/dbraw/zinc/40/03/24/326400324.db2.gz XXYFXHXASFHFHD-IUCAKERBSA-N 0 3 214.309 0.260 20 0 BCADHN O=C(CNC1CC1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000572952319 326420605 /nfs/dbraw/zinc/42/06/05/326420605.db2.gz DXWJRFJJOYPTCI-RYUDHWBXSA-N 0 3 238.331 0.812 20 0 BCADHN COCC[C@@H](C)N1C[C@H](CO)OC(C)(C)C1 ZINC000158739201 487973727 /nfs/dbraw/zinc/97/37/27/487973727.db2.gz OTTVCHQEOSMIFC-GHMZBOCLSA-N 0 3 231.336 0.883 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000653203925 487974522 /nfs/dbraw/zinc/97/45/22/487974522.db2.gz CYRNJIJCSVSSAU-IMSYWVGJSA-N 0 3 224.304 0.421 20 0 BCADHN CC(C)N(C)CCNCc1ncnn1C ZINC000083971015 487976523 /nfs/dbraw/zinc/97/65/23/487976523.db2.gz AGICMWSJEHUJHL-UHFFFAOYSA-N 0 3 211.313 0.245 20 0 BCADHN CC(C)n1ncnc1CNC[C@H](C)N(C)C ZINC000083977945 487979180 /nfs/dbraw/zinc/97/91/80/487979180.db2.gz RTIFDHBOCBHDDS-JTQLQIEISA-N 0 3 225.340 0.899 20 0 BCADHN CN(CCOCCO)[C@@H]1COC(C)(C)C1 ZINC000396584973 487985401 /nfs/dbraw/zinc/98/54/01/487985401.db2.gz MREGANZPMWPRIL-JTQLQIEISA-N 0 3 217.309 0.495 20 0 BCADHN COC[C@H](O)CNCc1n[nH]c2ccccc12 ZINC000669997517 487985848 /nfs/dbraw/zinc/98/58/48/487985848.db2.gz JAZSKCKWRZBUKI-SECBINFHSA-N 0 3 235.287 0.660 20 0 BCADHN COC[C@H](O)CNCc1[nH]nc2ccccc21 ZINC000669997517 487985858 /nfs/dbraw/zinc/98/58/58/487985858.db2.gz JAZSKCKWRZBUKI-SECBINFHSA-N 0 3 235.287 0.660 20 0 BCADHN CC(C)OC1CC(N[C@H]2CCS(=O)(=O)C2)C1 ZINC000186594784 487987529 /nfs/dbraw/zinc/98/75/29/487987529.db2.gz BYLOFBQQENEVPU-WHXUTIOJSA-N 0 3 247.360 0.719 20 0 BCADHN Cc1[nH]ncc1CNC(=O)c1cnc2n1CCC2 ZINC000666033216 487989869 /nfs/dbraw/zinc/98/98/69/487989869.db2.gz IQCQUEFPTXZXGB-UHFFFAOYSA-N 0 3 245.286 0.791 20 0 BCADHN CC(C)(C)OC1CC(N[C@@H]2COC[C@@H]2O)C1 ZINC000134610696 487990712 /nfs/dbraw/zinc/99/07/12/487990712.db2.gz BPGMZBUBMLVTMD-LXKPXOPUSA-N 0 3 229.320 0.682 20 0 BCADHN CN(C)C(=O)CCCN1C[C@@H](O)C2(CC2)C1 ZINC000653623738 487991197 /nfs/dbraw/zinc/99/11/97/487991197.db2.gz MZRCIFSQWLVUQX-SNVBAGLBSA-N 0 3 226.320 0.312 20 0 BCADHN CN(C)C(=O)CCCN1C[C@H](O)C2(CC2)C1 ZINC000653623736 487991525 /nfs/dbraw/zinc/99/15/25/487991525.db2.gz MZRCIFSQWLVUQX-JTQLQIEISA-N 0 3 226.320 0.312 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCCC[C@H]1O ZINC000186790479 487993032 /nfs/dbraw/zinc/99/30/32/487993032.db2.gz MDZNGQLWJKTCNC-OPRDCNLKSA-N 0 3 235.349 0.313 20 0 BCADHN CCN(C)C(=O)CCN1CCN(CC)[C@@H](C)C1 ZINC000677191363 487994839 /nfs/dbraw/zinc/99/48/39/487994839.db2.gz ARAICRBDZAWFNA-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CCN1CCN(CCC(=O)N(C)C)C[C@@H]1C ZINC000677193153 487995800 /nfs/dbraw/zinc/99/58/00/487995800.db2.gz WURFMPNMFGIYHQ-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN CO[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC000682598835 487997939 /nfs/dbraw/zinc/99/79/39/487997939.db2.gz ZVTHTWKHTZQOKS-NSHDSACASA-N 0 3 230.308 0.158 20 0 BCADHN CO[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC000682598833 487998438 /nfs/dbraw/zinc/99/84/38/487998438.db2.gz ZVTHTWKHTZQOKS-LLVKDONJSA-N 0 3 230.308 0.158 20 0 BCADHN CC[C@@H](N)c1cn(CCC(C)(C)O)nn1 ZINC000229934611 487999104 /nfs/dbraw/zinc/99/91/04/487999104.db2.gz ZXDJQLXWYGHGHD-MRVPVSSYSA-N 0 3 212.297 0.849 20 0 BCADHN CC[C@@H](N)c1cn(CC(=O)N[C@@H](C)CC)nn1 ZINC000229933653 487999116 /nfs/dbraw/zinc/99/91/16/487999116.db2.gz YYAPZOMVUFSELQ-DTWKUNHWSA-N 0 3 239.323 0.603 20 0 BCADHN C[NH+](C)CCCNC(=O)Cc1cncc([O-])c1 ZINC000655387611 487999894 /nfs/dbraw/zinc/99/98/94/487999894.db2.gz QGLXEZQSHUWUJQ-UHFFFAOYSA-N 0 3 237.303 0.398 20 0 BCADHN CC[C@H](N)c1cn(CCn2ccnc2)nn1 ZINC000229933777 487999723 /nfs/dbraw/zinc/99/97/23/487999723.db2.gz GRRIGDAESGQOPA-VIFPVBQESA-N 0 3 220.280 0.585 20 0 BCADHN CCN1CCN(Cc2cncn2C)C[C@@H]1C ZINC000677196242 488001200 /nfs/dbraw/zinc/00/12/00/488001200.db2.gz RSPMRMIJRGZLHG-NSHDSACASA-N 0 3 222.336 0.946 20 0 BCADHN CC[C@H](N)c1cn(C[C@H](O)COC(C)C)nn1 ZINC000229935881 488001602 /nfs/dbraw/zinc/00/16/02/488001602.db2.gz AHIFSBOVBIRANY-UWVGGRQHSA-N 0 3 242.323 0.474 20 0 BCADHN CCN1CCN(C(=O)c2cnc(C)[nH]2)C[C@@H]1C ZINC000677218293 488002714 /nfs/dbraw/zinc/00/27/14/488002714.db2.gz ZCZSWXRBRUCZPO-VIFPVBQESA-N 0 3 236.319 0.884 20 0 BCADHN CC[C@@H](N)c1cn([C@H](C)C(=O)NC(C)C)nn1 ZINC000229946706 488005648 /nfs/dbraw/zinc/00/56/48/488005648.db2.gz FCCUSWYTMPLECM-RKDXNWHRSA-N 0 3 239.323 0.774 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)CC(C)(C)C ZINC000673523565 488006457 /nfs/dbraw/zinc/00/64/57/488006457.db2.gz YRQPGMUDWWNSNA-VIFPVBQESA-N 0 3 216.325 0.461 20 0 BCADHN CCC[C@@H](N)c1cn(CC(=O)N2CCC2)nn1 ZINC000229957002 488009834 /nfs/dbraw/zinc/00/98/34/488009834.db2.gz ROKHVYSYGUSXIQ-SECBINFHSA-N 0 3 237.307 0.310 20 0 BCADHN CC1(C)C[C@H](N[C@@H]2CCCS(=O)(=O)C2)CO1 ZINC000396792569 488011295 /nfs/dbraw/zinc/01/12/95/488011295.db2.gz UDOKDQSSEWEDJT-ZJUUUORDSA-N 0 3 247.360 0.721 20 0 BCADHN CC(C)(CN[C@@H]1COC(C)(C)C1)S(C)(=O)=O ZINC000396793760 488011422 /nfs/dbraw/zinc/01/14/22/488011422.db2.gz VJVVLXPKPLQVKY-VIFPVBQESA-N 0 3 249.376 0.967 20 0 BCADHN CCC1(C(=O)N[C@H](CO)CN(C)C)CCCC1 ZINC000673524271 488012860 /nfs/dbraw/zinc/01/28/60/488012860.db2.gz QRNOFKMCENLWIJ-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN NC(=O)[C@H]1CCCN(Cc2cnn3c2CCC3)C1 ZINC000667462770 488014720 /nfs/dbraw/zinc/01/47/20/488014720.db2.gz UAQROMCXKNRRFA-JTQLQIEISA-N 0 3 248.330 0.527 20 0 BCADHN CCC[C@H](N)c1cn([C@H]2CCN(C)C2=O)nn1 ZINC000229963708 488015332 /nfs/dbraw/zinc/01/53/32/488015332.db2.gz CNOYMAINHNRZBC-WPRPVWTQSA-N 0 3 237.307 0.481 20 0 BCADHN CCC[C@H](N)c1cn(C[C@H](O)CC)nn1 ZINC000229967609 488015345 /nfs/dbraw/zinc/01/53/45/488015345.db2.gz ZDGRIXOKVNJGNV-BDAKNGLRSA-N 0 3 212.297 0.849 20 0 BCADHN CCCNC(=O)Cn1cc([C@@H](N)CCC)nn1 ZINC000229962707 488015737 /nfs/dbraw/zinc/01/57/37/488015737.db2.gz LZHFGXPXTXEQSN-VIFPVBQESA-N 0 3 239.323 0.604 20 0 BCADHN CCN1CCN(Cc2cnc(C)n2C)CC1 ZINC000667470746 488015810 /nfs/dbraw/zinc/01/58/10/488015810.db2.gz JOVSZQYWMOCRHJ-UHFFFAOYSA-N 0 3 222.336 0.866 20 0 BCADHN CCn1cnnc1CCNCc1cn(C)nc1C ZINC000677320668 488016411 /nfs/dbraw/zinc/01/64/11/488016411.db2.gz CMFOPIKWYKFOSN-UHFFFAOYSA-N 0 3 248.334 0.672 20 0 BCADHN OCC1(O)CCN(CC2=CCCC2)CC1 ZINC000401165933 488016873 /nfs/dbraw/zinc/01/68/73/488016873.db2.gz QFBLVLRVGLPEEH-UHFFFAOYSA-N 0 3 211.305 0.916 20 0 BCADHN CCC[C@@H](N)c1cn(CC(=O)NC2CC2)nn1 ZINC000229965114 488016657 /nfs/dbraw/zinc/01/66/57/488016657.db2.gz VFOWVNNFQJJIOB-SECBINFHSA-N 0 3 237.307 0.357 20 0 BCADHN NC(=O)[C@H]1CCN(Cc2cnn3c2CCC3)C1 ZINC000667470889 488017174 /nfs/dbraw/zinc/01/71/74/488017174.db2.gz PAMCNNHNOCQXAL-VIFPVBQESA-N 0 3 234.303 0.137 20 0 BCADHN CC[C@H](CO)N1CCN(C[C@H](C)CO)CC1 ZINC000121078306 490074428 /nfs/dbraw/zinc/07/44/28/490074428.db2.gz LTZRCYMXXVFTLM-NWDGAFQWSA-N 0 3 230.352 0.003 20 0 BCADHN NC[C@@H](NC(=O)NCCCCF)C(F)(F)F ZINC000655928724 488021325 /nfs/dbraw/zinc/02/13/25/488021325.db2.gz VEEJSCFIVMBSIG-ZCFIWIBFSA-N 0 3 245.220 0.925 20 0 BCADHN NC[C@H](NC(=O)N1CC=CCC1)C(F)(F)F ZINC000655921678 488021552 /nfs/dbraw/zinc/02/15/52/488021552.db2.gz MUPQYBTYGWJFPD-ZETCQYMHSA-N 0 3 237.225 0.848 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)N[C@@H]2CCOC2)CCN1C ZINC000159339290 488021625 /nfs/dbraw/zinc/02/16/25/488021625.db2.gz LKSKLBPFVJWXJZ-GARJFASQSA-N 0 3 241.335 0.557 20 0 BCADHN CO[C@H](C)CNC(=O)N[C@@H](CN)C(F)(F)F ZINC000655929348 488022242 /nfs/dbraw/zinc/02/22/42/488022242.db2.gz SQZXVUNPWLYPFQ-RITPCOANSA-N 0 3 243.229 0.210 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000135275484 488024533 /nfs/dbraw/zinc/02/45/33/488024533.db2.gz TWDJWWKNOHEQFP-KXUCPTDWSA-N 0 3 213.325 0.275 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@@H]1COC ZINC000121807052 488024669 /nfs/dbraw/zinc/02/46/69/488024669.db2.gz PLCPBRBUOFWXHS-BDAKNGLRSA-N 0 3 200.282 0.361 20 0 BCADHN C[C@H](O)C(C)(C)NCc1ccc(N)nc1 ZINC000309660036 488027168 /nfs/dbraw/zinc/02/71/68/488027168.db2.gz ASBGNAVUVYTEOB-QMMMGPOBSA-N 0 3 209.293 0.913 20 0 BCADHN CCC[C@H](N)c1cn(CCOCCOC)nn1 ZINC000229970649 488027947 /nfs/dbraw/zinc/02/79/47/488027947.db2.gz VITBKGDSZFHGTP-JTQLQIEISA-N 0 3 242.323 0.741 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ccnnc2)CCN1C ZINC000677407988 488030670 /nfs/dbraw/zinc/03/06/70/488030670.db2.gz JZWUJCRQXJDYPT-KOLCDFICSA-N 0 3 234.303 0.689 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@H](CCO)C1)N(C)C ZINC000677449888 488030987 /nfs/dbraw/zinc/03/09/87/488030987.db2.gz PYGPFFMKVYFUFU-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@H](NC(=O)CNC)[C@H]1CCCCO1 ZINC000655525159 488031219 /nfs/dbraw/zinc/03/12/19/488031219.db2.gz GNTPFMDOOATXGQ-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN O[C@@H](CN1C[C@H](O)C[C@H](O)C1)C1CCCCC1 ZINC000682760389 488031238 /nfs/dbraw/zinc/03/12/38/488031238.db2.gz CWCRBNSFFFLSAQ-XQQFMLRXSA-N 0 3 243.347 0.355 20 0 BCADHN CCCCN(C)CCNC(=O)C[C@@H]1CC(=O)N1 ZINC000668638128 488036347 /nfs/dbraw/zinc/03/63/47/488036347.db2.gz BOLHSTLWSCEJLD-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN C[C@@H](O)CCCN1CC[C@@H](n2cncn2)C1 ZINC000682774849 488037552 /nfs/dbraw/zinc/03/75/52/488037552.db2.gz QWSNVMIAMDVICN-GHMZBOCLSA-N 0 3 224.308 0.686 20 0 BCADHN CCc1nnc(CN2C[C@@H](C)N(C)C[C@@H]2C)[nH]1 ZINC000355086703 488039359 /nfs/dbraw/zinc/03/93/59/488039359.db2.gz KKLVUQDLPNUJMQ-ZJUUUORDSA-N 0 3 237.351 0.892 20 0 BCADHN CCc1nc(CN2C[C@@H](C)N(C)C[C@@H]2C)n[nH]1 ZINC000355086703 488039363 /nfs/dbraw/zinc/03/93/63/488039363.db2.gz KKLVUQDLPNUJMQ-ZJUUUORDSA-N 0 3 237.351 0.892 20 0 BCADHN NC(=O)C1(NCCc2ccccc2)CCOCC1 ZINC000682781593 488040695 /nfs/dbraw/zinc/04/06/95/488040695.db2.gz DDPSSAKSHTWJRX-UHFFFAOYSA-N 0 3 248.326 0.853 20 0 BCADHN CCCN(C)CC(=O)NCc1cc(C)ncn1 ZINC000677461963 488040897 /nfs/dbraw/zinc/04/08/97/488040897.db2.gz CWQKSHWHQWRRIY-UHFFFAOYSA-N 0 3 236.319 0.743 20 0 BCADHN CCC(CC)CNC(=O)COC1(C)CNC1 ZINC000165827511 488044230 /nfs/dbraw/zinc/04/42/30/488044230.db2.gz JKRJNILMZDPAJO-UHFFFAOYSA-N 0 3 228.336 0.917 20 0 BCADHN CCCN(CC)C(=O)COC1(C)CNC1 ZINC000165828307 488044307 /nfs/dbraw/zinc/04/43/07/488044307.db2.gz YZHXGNAMBWGGMH-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CC1(OCC(=O)NC[C@@H]2CCCS2)CNC1 ZINC000165846537 488045192 /nfs/dbraw/zinc/04/51/92/488045192.db2.gz NKOYMTXPVZGPHH-VIFPVBQESA-N 0 3 244.360 0.377 20 0 BCADHN C[C@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000165837532 488045257 /nfs/dbraw/zinc/04/52/57/488045257.db2.gz FEBYOTZNIRIZRY-VIFPVBQESA-N 0 3 212.293 0.233 20 0 BCADHN C[C@H](CNC(=O)COC1(C)CNC1)C1CC1 ZINC000165837793 488045807 /nfs/dbraw/zinc/04/58/07/488045807.db2.gz XKLXIAIAHHFZHV-SECBINFHSA-N 0 3 226.320 0.527 20 0 BCADHN CC(C)[C@@H](C)CNC(=O)COC1(C)CNC1 ZINC000165849748 488046600 /nfs/dbraw/zinc/04/66/00/488046600.db2.gz XVHRWZDPLFHIQM-JTQLQIEISA-N 0 3 228.336 0.773 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](C)c1ccncc1 ZINC000655451191 488047700 /nfs/dbraw/zinc/04/77/00/488047700.db2.gz KAVFYHLUOAAHAP-ZJUUUORDSA-N 0 3 221.304 0.909 20 0 BCADHN Cc1ncoc1C(=O)N[C@H](CN)C(F)(F)F ZINC000401701586 488049160 /nfs/dbraw/zinc/04/91/60/488049160.db2.gz AEOQQKJDKMIASN-RXMQYKEDSA-N 0 3 237.181 0.602 20 0 BCADHN NC[C@@H](NC(=O)c1cnns1)C(F)(F)F ZINC000401707969 488049850 /nfs/dbraw/zinc/04/98/50/488049850.db2.gz CCIWORAIQZSVJP-SCSAIBSYSA-N 0 3 240.210 0.158 20 0 BCADHN COC[C@H](OC)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000669182560 488051182 /nfs/dbraw/zinc/05/11/82/488051182.db2.gz LNWOPVYNVRDUTM-VWYCJHECSA-N 0 3 244.335 0.247 20 0 BCADHN Cc1cc(C(=O)N[C@@H](CN)C(F)(F)F)[nH]n1 ZINC000401713917 488052288 /nfs/dbraw/zinc/05/22/88/488052288.db2.gz KBELZPJIHSBPRI-LURJTMIESA-N 0 3 236.197 0.338 20 0 BCADHN NC[C@H](NC(=O)c1ccc(=O)[nH]c1)C(F)(F)F ZINC000401719742 488052382 /nfs/dbraw/zinc/05/23/82/488052382.db2.gz AKMDTWKJEWAELY-LURJTMIESA-N 0 3 249.192 0.407 20 0 BCADHN Cn1cccc1C(=O)N[C@@H](CN)C(F)(F)F ZINC000401716296 488052796 /nfs/dbraw/zinc/05/27/96/488052796.db2.gz LFLRRABJHKGRBZ-ZETCQYMHSA-N 0 3 235.209 0.645 20 0 BCADHN NC[C@@H](NC(=O)c1ccc(=O)[nH]c1)C(F)(F)F ZINC000401719744 488052805 /nfs/dbraw/zinc/05/28/05/488052805.db2.gz AKMDTWKJEWAELY-ZCFIWIBFSA-N 0 3 249.192 0.407 20 0 BCADHN Cn1cccc1C(=O)N[C@H](CN)C(F)(F)F ZINC000401716294 488052826 /nfs/dbraw/zinc/05/28/26/488052826.db2.gz LFLRRABJHKGRBZ-SSDOTTSWSA-N 0 3 235.209 0.645 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H](O)C2CC2)CCN1C ZINC000669184207 488053742 /nfs/dbraw/zinc/05/37/42/488053742.db2.gz XKRKILPFJXRVHM-MIMYLULJSA-N 0 3 226.320 0.356 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H](O)C2CC2)CCN1C ZINC000669184204 488053816 /nfs/dbraw/zinc/05/38/16/488053816.db2.gz XKRKILPFJXRVHM-DVVUODLYSA-N 0 3 226.320 0.356 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@H](F)C1 ZINC000334838032 488056194 /nfs/dbraw/zinc/05/61/94/488056194.db2.gz DSOJVXYUWHNLDT-VIFPVBQESA-N 0 3 202.273 0.897 20 0 BCADHN N[C@H](CC(=O)NCCCCO)c1ccccc1 ZINC000236318628 488056533 /nfs/dbraw/zinc/05/65/33/488056533.db2.gz NKLAECAZSWTDBK-GFCCVEGCSA-N 0 3 236.315 0.965 20 0 BCADHN CO[C@@H](C)C(=O)N[C@H](CN)C(F)(F)F ZINC000401729874 488057502 /nfs/dbraw/zinc/05/75/02/488057502.db2.gz NXMRGKPXPAFZFP-CRCLSJGQSA-N 0 3 214.187 0.027 20 0 BCADHN CO[C@H](C)CCC(=O)N[C@H](CN)C(F)(F)F ZINC000401737972 488060246 /nfs/dbraw/zinc/06/02/46/488060246.db2.gz DIFWDDHOCUVGJQ-RNFRBKRXSA-N 0 3 242.241 0.807 20 0 BCADHN COC1(CO)CCN(CCc2cn[nH]c2)CC1 ZINC000401742384 488061112 /nfs/dbraw/zinc/06/11/12/488061112.db2.gz HUHDPDHFQNOPFE-UHFFFAOYSA-N 0 3 239.319 0.426 20 0 BCADHN NC[C@@H](NC(=O)C1CCC1)C(F)(F)F ZINC000401746686 488061607 /nfs/dbraw/zinc/06/16/07/488061607.db2.gz VIPNMDXMDCFNEI-ZCFIWIBFSA-N 0 3 210.199 0.792 20 0 BCADHN NC[C@@H](NC(=O)CC1CC1)C(F)(F)F ZINC000401747980 488061632 /nfs/dbraw/zinc/06/16/32/488061632.db2.gz WCZXJBIKPHPRLN-ZCFIWIBFSA-N 0 3 210.199 0.792 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ZINC000399968452 487499734 /nfs/dbraw/zinc/49/97/34/487499734.db2.gz WRXJPEUYXSGUTB-GFCCVEGCSA-N 0 3 222.288 0.462 20 0 BCADHN Cn1cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)nn1 ZINC000685190817 487500432 /nfs/dbraw/zinc/50/04/32/487500432.db2.gz FDPHWWDWQPLNID-SNVBAGLBSA-N 0 3 249.318 0.029 20 0 BCADHN CCN(CCNc1nccn2nnnc12)C1CC1 ZINC000674050814 487504932 /nfs/dbraw/zinc/50/49/32/487504932.db2.gz ICNCBRMBUZMITH-UHFFFAOYSA-N 0 3 247.306 0.416 20 0 BCADHN COc1cc(NC(=O)C2(N)CCC2)ccn1 ZINC000304572564 487511666 /nfs/dbraw/zinc/51/16/66/487511666.db2.gz MVOXTSVLOHXJHD-UHFFFAOYSA-N 0 3 221.260 0.910 20 0 BCADHN CC[C@H](N)c1cn([C@@H]2CCC[C@H]2O)nn1 ZINC000300398234 487513170 /nfs/dbraw/zinc/51/31/70/487513170.db2.gz IGNOVTVAAHRLHD-FXBDTBDDSA-N 0 3 210.281 0.774 20 0 BCADHN CC(C)(N)c1cn(-c2cccnc2)nn1 ZINC000232081476 487509182 /nfs/dbraw/zinc/50/91/82/487509182.db2.gz VYOIYFCTQZXQTQ-UHFFFAOYSA-N 0 3 203.249 0.856 20 0 BCADHN Cc1cncc(CCNC[C@@H](O)C(F)(F)F)n1 ZINC000402712419 487510420 /nfs/dbraw/zinc/51/04/20/487510420.db2.gz NARLOXLISSNWAZ-SECBINFHSA-N 0 3 249.236 0.840 20 0 BCADHN C[C@H](CN1CCC(C)CC1)NC(=O)NCCO ZINC000665836742 487515815 /nfs/dbraw/zinc/51/58/15/487515815.db2.gz CNEWYHAECFPJHM-LLVKDONJSA-N 0 3 243.351 0.398 20 0 BCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)NCCO ZINC000665836743 487515914 /nfs/dbraw/zinc/51/59/14/487515914.db2.gz CNEWYHAECFPJHM-NSHDSACASA-N 0 3 243.351 0.398 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@H]1CO[C@H](C2CC2)C1 ZINC000668237252 487519843 /nfs/dbraw/zinc/51/98/43/487519843.db2.gz JAXOKXUJCXNYHA-NOOOWODRSA-N 0 3 227.304 0.557 20 0 BCADHN CCc1nn(C)cc1CN(C)CCN(C)C ZINC000685451862 487525750 /nfs/dbraw/zinc/52/57/50/487525750.db2.gz BAAAHBHQBWFLJR-UHFFFAOYSA-N 0 3 224.352 0.976 20 0 BCADHN Cn1cncc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000685433822 487522350 /nfs/dbraw/zinc/52/23/50/487522350.db2.gz VUCAZOOUINNBIK-LLVKDONJSA-N 0 3 248.330 0.634 20 0 BCADHN Cn1ncnc1CNCC1CCC(O)CC1 ZINC000227762227 487522714 /nfs/dbraw/zinc/52/27/14/487522714.db2.gz WXIPDUGGLMOTBO-UHFFFAOYSA-N 0 3 224.308 0.456 20 0 BCADHN CNC(=O)CN(C)CC[C@H]1CCOC1 ZINC000668788354 487533904 /nfs/dbraw/zinc/53/39/04/487533904.db2.gz NHQTURINRMMQTO-VIFPVBQESA-N 0 3 200.282 0.091 20 0 BCADHN CCn1cc(CNC[C@@H](C)COC)nn1 ZINC000404444288 488161358 /nfs/dbraw/zinc/16/13/58/488161358.db2.gz MQEWNWBJXXWNCQ-SECBINFHSA-N 0 3 212.297 0.670 20 0 BCADHN C[C@@H](N[C@H]1CO[C@@H](C2CC2)C1)C(=O)N(C)C ZINC000667935092 488162285 /nfs/dbraw/zinc/16/22/85/488162285.db2.gz DAZUZTIIKRSJND-FBIMIBRVSA-N 0 3 226.320 0.620 20 0 BCADHN COC[C@H](CCO)N[C@H]1CCCn2nccc21 ZINC000657888509 488167524 /nfs/dbraw/zinc/16/75/24/488167524.db2.gz MIFKALSUGNNXSF-QWRGUYRKSA-N 0 3 239.319 0.705 20 0 BCADHN O=C([C@H]1CCN(Cc2cn[nH]c2)C1)N1CCCC1 ZINC000685472906 487535006 /nfs/dbraw/zinc/53/50/06/487535006.db2.gz QZUGAYRSUIAHHL-LBPRGKRZSA-N 0 3 248.330 0.854 20 0 BCADHN Cc1cn[nH]c1CNCC(=O)NC1CCCC1 ZINC000685615719 487566151 /nfs/dbraw/zinc/56/61/51/487566151.db2.gz YCFDTTAPVVGKQX-UHFFFAOYSA-N 0 3 236.319 0.867 20 0 BCADHN Cc1c[nH]nc1CN[C@H](C)[C@@H]1CN(C)CCO1 ZINC000685618630 487566042 /nfs/dbraw/zinc/56/60/42/487566042.db2.gz LZAAJLJDEYRCEZ-PWSUYJOCSA-N 0 3 238.335 0.527 20 0 BCADHN O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@H]2C[C@H]21 ZINC000672126662 487576993 /nfs/dbraw/zinc/57/69/93/487576993.db2.gz KDKQNWDWTHRSCJ-XQQFMLRXSA-N 0 3 249.358 0.387 20 0 BCADHN O=C(c1ncc[nH]1)N1CC[C@H](N2CCCC2)C1 ZINC000082266905 487586031 /nfs/dbraw/zinc/58/60/31/487586031.db2.gz VKAQOZSKADGTOS-JTQLQIEISA-N 0 3 234.303 0.720 20 0 BCADHN CC(=O)CCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000669703075 487699781 /nfs/dbraw/zinc/69/97/81/487699781.db2.gz CMOSODFLZWWOBM-LBPRGKRZSA-N 0 3 238.331 0.956 20 0 BCADHN CC[C@H](O)CN1CCN(C(C)(C)CO)CC1 ZINC000675494956 487741353 /nfs/dbraw/zinc/74/13/53/487741353.db2.gz HKTCTZGHTCUIRA-NSHDSACASA-N 0 3 230.352 0.146 20 0 BCADHN CCCCOCC(=O)N[C@@H](CN)C(F)(F)F ZINC000655509132 487808903 /nfs/dbraw/zinc/80/89/03/487808903.db2.gz KHRNJZFYQUWEJW-ZETCQYMHSA-N 0 3 242.241 0.809 20 0 BCADHN OC[C@@H]1CCN([C@H]2C=CCCC2)C[C@@H]1O ZINC000676555217 487871201 /nfs/dbraw/zinc/87/12/01/487871201.db2.gz ZRMOVJXRPMIXRL-SRVKXCTJSA-N 0 3 211.305 0.770 20 0 BCADHN CCCN(CC(F)F)C[C@H]1CNCCO1 ZINC000386216596 487898621 /nfs/dbraw/zinc/89/86/21/487898621.db2.gz APPVZZLYAFJLRJ-SECBINFHSA-N 0 3 222.279 0.952 20 0 BCADHN CCn1cc(CN(C)CC2CN(C)C2)cn1 ZINC000668539725 487905453 /nfs/dbraw/zinc/90/54/53/487905453.db2.gz JUCGAHOHSVFONB-UHFFFAOYSA-N 0 3 222.336 0.896 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)c1cn[nH]c1 ZINC000229704504 487937334 /nfs/dbraw/zinc/93/73/34/487937334.db2.gz JNQOEZRJCIEFLL-VXNVDRBHSA-N 0 3 224.308 0.960 20 0 BCADHN NC(=O)C[C@H]1CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000676907797 487945903 /nfs/dbraw/zinc/94/59/03/487945903.db2.gz DFHAGHDIWDIOBP-RNFRBKRXSA-N 0 3 240.225 0.107 20 0 BCADHN Cc1ccc(CN(C)c2nc(N)nc(N)n2)o1 ZINC000147095277 487948458 /nfs/dbraw/zinc/94/84/58/487948458.db2.gz WHSPGPRWYGXOPF-UHFFFAOYSA-N 0 3 234.263 0.574 20 0 BCADHN CCn1nccc1CNC(=O)NCCN(C)C ZINC000667408413 487998545 /nfs/dbraw/zinc/99/85/45/487998545.db2.gz STMSBXLEPPEFLW-UHFFFAOYSA-N 0 3 239.323 0.264 20 0 BCADHN c1cn(C[C@@H]2CCN(Cc3cnc[nH]3)C2)nn1 ZINC000661141667 488074915 /nfs/dbraw/zinc/07/49/15/488074915.db2.gz SNPKPHCCROIDCY-SNVBAGLBSA-N 0 3 232.291 0.523 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000677858596 488141596 /nfs/dbraw/zinc/14/15/96/488141596.db2.gz BVARZXKSDFBJBS-MXWKQRLJSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1occc1CNC[C@@H]1CCC(=O)N1 ZINC000321626599 488147322 /nfs/dbraw/zinc/14/73/22/488147322.db2.gz SQEVLICDNGAXJW-JTQLQIEISA-N 0 3 208.261 0.956 20 0 BCADHN COCCOCCN[C@@H]1CCCn2nccc21 ZINC000657851703 488148856 /nfs/dbraw/zinc/14/88/56/488148856.db2.gz PRGOYOXNYREZGF-LLVKDONJSA-N 0 3 239.319 0.971 20 0 BCADHN CC(C)n1cncc1CNC[C@](C)(O)CO ZINC000085251360 488149521 /nfs/dbraw/zinc/14/95/21/488149521.db2.gz ZYURJBTYZSJHTC-NSHDSACASA-N 0 3 227.308 0.297 20 0 BCADHN CCn1cc(CN[C@H]2CCCOCC2)nn1 ZINC000404418892 488157500 /nfs/dbraw/zinc/15/75/00/488157500.db2.gz HHSQJJJQBLADGA-JTQLQIEISA-N 0 3 224.308 0.957 20 0 BCADHN Cc1cnn(C)c1CN1CCC2(COC2)C1 ZINC000668718645 488160577 /nfs/dbraw/zinc/16/05/77/488160577.db2.gz CRYJQRDHYSWNOX-UHFFFAOYSA-N 0 3 221.304 0.951 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667927452 488161183 /nfs/dbraw/zinc/16/11/83/488161183.db2.gz XNYFWVUXTNKLQC-INTQDDNPSA-N 0 3 226.320 0.668 20 0 BCADHN CCOCC[C@H](O)CN1CCN(CC)[C@H](C)C1 ZINC000683435077 488161770 /nfs/dbraw/zinc/16/17/70/488161770.db2.gz ZBTRWBJYYRCPME-OLZOCXBDSA-N 0 3 244.379 0.800 20 0 BCADHN Cc1ncc(CN2CCC3(COC3)C2)n1C ZINC000668719325 488161760 /nfs/dbraw/zinc/16/17/60/488161760.db2.gz VMODFDADJHSYCM-UHFFFAOYSA-N 0 3 221.304 0.951 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@H]2CCNC2=O)C1(C)C ZINC000390586951 488167548 /nfs/dbraw/zinc/16/75/48/488167548.db2.gz YKOQCNBIMFLVSH-IVZWLZJFSA-N 0 3 226.320 0.668 20 0 BCADHN CCOC[C@H](O)CN[C@@H]1CCCn2nccc21 ZINC000657888857 488168685 /nfs/dbraw/zinc/16/86/85/488168685.db2.gz QQABSOMYLSONAS-GHMZBOCLSA-N 0 3 239.319 0.705 20 0 BCADHN OCCCn1cc(CNC2CCCC2)nn1 ZINC000085418975 488169879 /nfs/dbraw/zinc/16/98/79/488169879.db2.gz ITZYXBRSZZCIIV-UHFFFAOYSA-N 0 3 224.308 0.693 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCN1CC(=O)NC1CC1 ZINC000159381427 488170040 /nfs/dbraw/zinc/17/00/40/488170040.db2.gz CDRIRLYNUOHGID-KOLCDFICSA-N 0 3 226.320 0.500 20 0 BCADHN CC[C@H](NC(=O)C1(N)CC1)[C@H]1CCCO1 ZINC000390672497 488172893 /nfs/dbraw/zinc/17/28/93/488172893.db2.gz VZZSUYZQZCOBIH-DTWKUNHWSA-N 0 3 212.293 0.552 20 0 BCADHN NC1(C(=O)N2CCCc3n[nH]cc3C2)CCC1 ZINC000404719333 488175450 /nfs/dbraw/zinc/17/54/50/488175450.db2.gz JFQHEJKVCBCQCA-UHFFFAOYSA-N 0 3 234.303 0.566 20 0 BCADHN NC(=O)CC1(NCc2cnn3c2CCC3)CCC1 ZINC000668002350 488181874 /nfs/dbraw/zinc/18/18/74/488181874.db2.gz QBTGKRJGDUGSOB-UHFFFAOYSA-N 0 3 248.330 0.717 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000310659095 488185261 /nfs/dbraw/zinc/18/52/61/488185261.db2.gz XIGVLSBHEGMKQE-TZMCWYRMSA-N 0 3 248.326 0.759 20 0 BCADHN CCn1nncc1CN[C@@H]1CCN(CC2CC2)C1 ZINC000669539916 488189878 /nfs/dbraw/zinc/18/98/78/488189878.db2.gz FWKCDTDRARYEDW-GFCCVEGCSA-N 0 3 249.362 0.872 20 0 BCADHN Cc1cc(NC(=O)C[C@H]2CNCCO2)n[nH]1 ZINC000085620212 488191112 /nfs/dbraw/zinc/19/11/12/488191112.db2.gz QXJBGWJSAIMOIZ-QMMMGPOBSA-N 0 3 224.264 0.035 20 0 BCADHN O=C(C[C@@H]1CNCCO1)NCCC1CC1 ZINC000085620462 488191143 /nfs/dbraw/zinc/19/11/43/488191143.db2.gz QTNKZCZJINFNRX-SNVBAGLBSA-N 0 3 212.293 0.281 20 0 BCADHN Cc1ncc(CN2C[C@@H](O)C[C@H]2C)n1C ZINC000668045636 488194048 /nfs/dbraw/zinc/19/40/48/488194048.db2.gz WOTKIMNKSSSAMT-KCJUWKMLSA-N 0 3 209.293 0.684 20 0 BCADHN CC(C)C(=O)NCCN(C)[C@H]1CCCOC1 ZINC000678087722 488195025 /nfs/dbraw/zinc/19/50/25/488195025.db2.gz YIFGOEGHIOBSHI-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CN1CCC[C@H](NC(=O)Nc2ccncn2)C1 ZINC000683574688 488200313 /nfs/dbraw/zinc/20/03/13/488200313.db2.gz WQLRNKMVCUULHO-VIFPVBQESA-N 0 3 235.291 0.692 20 0 BCADHN COC[C@H](CO)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000668095689 488202274 /nfs/dbraw/zinc/20/22/74/488202274.db2.gz OILCWXWBYAZNOC-OUAUKWLOSA-N 0 3 215.293 0.151 20 0 BCADHN CN1CCC[C@@H](NC(=O)NC2(CO)CCC2)C1 ZINC000680498941 488204196 /nfs/dbraw/zinc/20/41/96/488204196.db2.gz CRNVAFIADDKNAY-SNVBAGLBSA-N 0 3 241.335 0.295 20 0 BCADHN CC(C)NCC(=O)N[C@H]1CCS[C@@H]1C ZINC000308550660 488206911 /nfs/dbraw/zinc/20/69/11/488206911.db2.gz WEYJHPDTICULIV-BDAKNGLRSA-N 0 3 216.350 0.995 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CNCCO2)C[C@H](C)O1 ZINC000043801825 488207727 /nfs/dbraw/zinc/20/77/27/488207727.db2.gz DSNFTYXFSBURSD-AXFHLTTASA-N 0 3 214.309 0.084 20 0 BCADHN C[C@H]1CN(Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC000678171752 488211862 /nfs/dbraw/zinc/21/18/62/488211862.db2.gz KNNRGROJKZRHNT-ONGXEEELSA-N 0 3 222.288 0.198 20 0 BCADHN C[C@H]1C[C@@H](CO)CN(Cc2cn[nH]c2)C1 ZINC000398639420 488220653 /nfs/dbraw/zinc/22/06/53/488220653.db2.gz VYTPSRRTFIKEMX-VHSXEESVSA-N 0 3 209.293 0.860 20 0 BCADHN CC[C@@H](O)CN(CCOC)[C@@H]1CCO[C@@H]1C ZINC000683792980 488223020 /nfs/dbraw/zinc/22/30/20/488223020.db2.gz KCXSJWZSNIXDJU-IJLUTSLNSA-N 0 3 231.336 0.883 20 0 BCADHN CN(C)C[C@H]1CCCCN1C(=O)c1ncc[nH]1 ZINC000668211611 488226826 /nfs/dbraw/zinc/22/68/26/488226826.db2.gz JPIRINQYXSPIJC-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN CCN1CCN(Cc2cn[nH]c2)C[C@@H]1C ZINC000678261802 488228995 /nfs/dbraw/zinc/22/89/95/488228995.db2.gz UHBJIASRTOFEMI-JTQLQIEISA-N 0 3 208.309 0.936 20 0 BCADHN O[C@@H]1C[C@H](O)CN(Cc2cccs2)C1 ZINC000678297281 488238505 /nfs/dbraw/zinc/23/85/05/488238505.db2.gz GTJLXAFSPULRHU-DTORHVGOSA-N 0 3 213.302 0.676 20 0 BCADHN Cc1ncc(CNC[C@H]2CCCC(=O)N2)cn1 ZINC000683933900 488247279 /nfs/dbraw/zinc/24/72/79/488247279.db2.gz UWGMRPNNJDGOID-LLVKDONJSA-N 0 3 234.303 0.543 20 0 BCADHN Cc1c(CNC[C@H]2CCCC(=O)N2)cnn1C ZINC000683932604 488247344 /nfs/dbraw/zinc/24/73/44/488247344.db2.gz NOBWNPFDLDOWSG-LLVKDONJSA-N 0 3 236.319 0.487 20 0 BCADHN CCn1cc(CNC[C@H]2CCCC(=O)N2)cn1 ZINC000683932127 488247378 /nfs/dbraw/zinc/24/73/78/488247378.db2.gz KIJXXSNOQOCQDR-LLVKDONJSA-N 0 3 236.319 0.661 20 0 BCADHN O=C1C[C@]2(CCN(Cc3cn[nH]c3)C2)CN1 ZINC000684026762 488256613 /nfs/dbraw/zinc/25/66/13/488256613.db2.gz LATAGHHFKLNMRN-LLVKDONJSA-N 0 3 220.276 0.122 20 0 BCADHN CCn1nc(C)cc1C(=O)N[C@@H](C)CN(C)C ZINC000672516584 488257749 /nfs/dbraw/zinc/25/77/49/488257749.db2.gz WBYFSUWGJXFAKK-JTQLQIEISA-N 0 3 238.335 0.891 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1CCn1ccccc1=O ZINC000678469854 488258261 /nfs/dbraw/zinc/25/82/61/488258261.db2.gz PAGJQEGSSLWVLG-QWHCGFSZSA-N 0 3 249.358 0.873 20 0 BCADHN C[C@H](NCCc1nnnn1C)c1cccnc1 ZINC000678477653 488259399 /nfs/dbraw/zinc/25/93/99/488259399.db2.gz DCANQJNAIGJUCC-VIFPVBQESA-N 0 3 232.291 0.498 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCc1cocn1 ZINC000672845251 488267739 /nfs/dbraw/zinc/26/77/39/488267739.db2.gz PDUGTBFJPUASSA-QMMMGPOBSA-N 0 3 226.280 0.424 20 0 BCADHN CN1CCC[C@H](NC(=O)NCCCCCO)C1 ZINC000684134464 488268788 /nfs/dbraw/zinc/26/87/88/488268788.db2.gz AXZLOXNTKPXEJZ-NSHDSACASA-N 0 3 243.351 0.542 20 0 BCADHN CCn1cnnc1CCN[C@H](C)c1cnn(C)c1 ZINC000678587417 488269096 /nfs/dbraw/zinc/26/90/96/488269096.db2.gz JRGJNPMYUZNZBS-SNVBAGLBSA-N 0 3 248.334 0.925 20 0 BCADHN C[C@@H](CO)CN1CCN([C@H]2CCOC2)CC1 ZINC000678627420 488274327 /nfs/dbraw/zinc/27/43/27/488274327.db2.gz SKBONXYEXKNRDH-NEPJUHHUSA-N 0 3 228.336 0.021 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000673464492 488287656 /nfs/dbraw/zinc/28/76/56/488287656.db2.gz PVMJTMPKFVVSBE-WOPDTQHZSA-N 0 3 240.347 0.605 20 0 BCADHN CCCCC(=O)N[C@@H](CO)CN1CCCC1 ZINC000673531448 488292173 /nfs/dbraw/zinc/29/21/73/488292173.db2.gz MWAPDANBFVLTPR-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN CC(C)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673516347 488292282 /nfs/dbraw/zinc/29/22/82/488292282.db2.gz OEKIIHKJSIMTOV-WDEREUQCSA-N 0 3 226.320 0.310 20 0 BCADHN CCCN(C)CC(=O)N1CC(C)(F)C1 ZINC000684328548 488292457 /nfs/dbraw/zinc/29/24/57/488292457.db2.gz OEALXMGIYIBKBM-UHFFFAOYSA-N 0 3 202.273 0.899 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C[C@H]1C=CCC1 ZINC000673521446 488292700 /nfs/dbraw/zinc/29/27/00/488292700.db2.gz BSVIIVLZPGLNAP-WDEREUQCSA-N 0 3 226.320 0.381 20 0 BCADHN CCC[C@H](C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000673532544 488294181 /nfs/dbraw/zinc/29/41/81/488294181.db2.gz TUWGORAECJVMDX-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1ccc(C(=O)N[C@@H](CO)CN(C)C)s1 ZINC000673524486 488294249 /nfs/dbraw/zinc/29/42/49/488294249.db2.gz WCOVAJBTGFANAL-SECBINFHSA-N 0 3 242.344 0.709 20 0 BCADHN CCC(CC)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000673533156 488294858 /nfs/dbraw/zinc/29/48/58/488294858.db2.gz ITZFJAXAJJWWIT-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN CC1(C)C[C@@H]1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000673532677 488294897 /nfs/dbraw/zinc/29/48/97/488294897.db2.gz VAYUHLHWMDETQN-GHMZBOCLSA-N 0 3 240.347 0.605 20 0 BCADHN CCC(CC)C(=O)N[C@H](CO)CN1CCCC1 ZINC000673533157 488295010 /nfs/dbraw/zinc/29/50/10/488295010.db2.gz ITZFJAXAJJWWIT-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](CO)CN1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000684630262 488336362 /nfs/dbraw/zinc/33/63/62/488336362.db2.gz GPZTZCKVMDMMAD-YNEHKIRRSA-N 0 3 243.347 0.885 20 0 BCADHN CN1CCC[C@H](NC(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000684368458 488301569 /nfs/dbraw/zinc/30/15/69/488301569.db2.gz OZZAQVPIRLPHAX-UKKRHICBSA-N 0 3 239.319 0.025 20 0 BCADHN CN(C)CCN(C)c1cncc(-n2cncn2)n1 ZINC000673816926 488308263 /nfs/dbraw/zinc/30/82/63/488308263.db2.gz GWHMTNOLSXVILJ-UHFFFAOYSA-N 0 3 247.306 0.055 20 0 BCADHN COC[C@](C)(CO)NCc1cnc2ccccn12 ZINC000679118302 488310203 /nfs/dbraw/zinc/31/02/03/488310203.db2.gz XDYNYSKBZZSNOF-ZDUSSCGKSA-N 0 3 249.314 0.821 20 0 BCADHN CN(C)CCN(C)C(=O)N[C@H]1CCCN(C)C1 ZINC000673877228 488310762 /nfs/dbraw/zinc/31/07/62/488310762.db2.gz ZCTNPVSIYBPZOH-NSHDSACASA-N 0 3 242.367 0.284 20 0 BCADHN c1cnn(CCNCc2cncnc2)c1 ZINC000054768096 488311256 /nfs/dbraw/zinc/31/12/56/488311256.db2.gz GDJRFMGSKGJRNL-UHFFFAOYSA-N 0 3 203.249 0.463 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2cn[nH]c2)C1 ZINC000684430071 488312135 /nfs/dbraw/zinc/31/21/35/488312135.db2.gz SCSXKJDLVVQVHZ-JTQLQIEISA-N 0 3 208.265 0.107 20 0 BCADHN CN1CCC[C@@H](NC(=O)CCc2cnccn2)C1 ZINC000684432817 488312570 /nfs/dbraw/zinc/31/25/70/488312570.db2.gz MVPKSJNXOVDKCH-GFCCVEGCSA-N 0 3 248.330 0.620 20 0 BCADHN C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)C2)C[C@H](C)O1 ZINC000679151340 488313663 /nfs/dbraw/zinc/31/36/63/488313663.db2.gz RASWIRJHEBVTBU-OUAUKWLOSA-N 0 3 241.335 0.509 20 0 BCADHN CCC(O)(CC)CN(C)[C@H](C)C(N)=O ZINC000679151038 488313862 /nfs/dbraw/zinc/31/38/62/488313862.db2.gz LKOQMBLBBFINOV-MRVPVSSYSA-N 0 3 202.298 0.343 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)CCC(F)F)C1 ZINC000684477929 488320036 /nfs/dbraw/zinc/32/00/36/488320036.db2.gz WYOQPQRJPKERFC-SNVBAGLBSA-N 0 3 236.262 0.215 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NCc1ncnn1C ZINC000679350683 488343050 /nfs/dbraw/zinc/34/30/50/488343050.db2.gz GDTJTLQQLZPLLQ-MWLCHTKSSA-N 0 3 235.335 0.387 20 0 BCADHN C[C@H](N[C@@H](C)[C@@H]1CN(C)CCO1)c1cn[nH]c1 ZINC000684836633 488347695 /nfs/dbraw/zinc/34/76/95/488347695.db2.gz ZNNYBHHJNIITDI-NHCYSSNCSA-N 0 3 238.335 0.779 20 0 BCADHN C[C@H](NC(=O)[C@H](C)N(C)C)C1=CCN(C)CC1 ZINC000679709564 488364980 /nfs/dbraw/zinc/36/49/80/488364980.db2.gz GCYLUHOJUNQZJR-QWRGUYRKSA-N 0 3 239.363 0.703 20 0 BCADHN Cc1n[nH]cc1CCCNC(=O)CNC(C)C ZINC000050183140 488365400 /nfs/dbraw/zinc/36/54/00/488365400.db2.gz HIKYALJWUJRTAA-UHFFFAOYSA-N 0 3 238.335 0.765 20 0 BCADHN CCCN(C)CC(=O)N(C)C[C@@H](O)C1CC1 ZINC000674815377 490057395 /nfs/dbraw/zinc/05/73/95/490057395.db2.gz HHEUBJGGZWJSPY-LLVKDONJSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H](CO)CN1CCN(c2ccccn2)CC1 ZINC000120597782 490064884 /nfs/dbraw/zinc/06/48/84/490064884.db2.gz WYVAVEQFGALYAD-GFCCVEGCSA-N 0 3 235.331 0.832 20 0 BCADHN CCNC(=O)CN(CC)C[C@H](C)CO ZINC000120534327 490063731 /nfs/dbraw/zinc/06/37/31/490063731.db2.gz QUTBCQDJYICFRY-VIFPVBQESA-N 0 3 202.298 0.073 20 0 BCADHN COC[C@H]1CN([C@@H]2CCO[C@H](C)C2)CCO1 ZINC000659951654 490114876 /nfs/dbraw/zinc/11/48/76/490114876.db2.gz HGCWSBZYIZMQRI-IJLUTSLNSA-N 0 3 229.320 0.901 20 0 BCADHN CCC(=O)NCCCCN1CCN(C)CC1 ZINC000041362529 490180639 /nfs/dbraw/zinc/18/06/39/490180639.db2.gz BWUZYLXHHWXSDP-UHFFFAOYSA-N 0 3 227.352 0.540 20 0 BCADHN CO[C@@H]1CCC[C@@H](N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000069846854 490185888 /nfs/dbraw/zinc/18/58/88/490185888.db2.gz VPUDIYCPLSPSSF-GMTAPVOTSA-N 0 3 247.360 0.721 20 0 BCADHN O[C@]12C[C@H]1CN(CCO[C@H]1CC1(F)F)CC2 ZINC000661720918 490203200 /nfs/dbraw/zinc/20/32/00/490203200.db2.gz LWCCGVLEEDUEMQ-LPEHRKFASA-N 0 3 233.258 0.867 20 0 BCADHN O=C(NCCCO)[C@@H](C1CC1)N1CCCC1 ZINC000123266630 490211558 /nfs/dbraw/zinc/21/15/58/490211558.db2.gz VKDNCKVOGYBPJN-LLVKDONJSA-N 0 3 226.320 0.359 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000130035986 490212461 /nfs/dbraw/zinc/21/24/61/490212461.db2.gz LBZQZZAAFDRERW-TXEJJXNPSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)N1CCCN(C(=O)[C@H](C)N(C)C)CC1 ZINC000078712098 490220191 /nfs/dbraw/zinc/22/01/91/490220191.db2.gz BZWCGJHCAHWQJR-LBPRGKRZSA-N 0 3 241.379 0.879 20 0 BCADHN C[C@@H](Cn1cccn1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000123445494 490236640 /nfs/dbraw/zinc/23/66/40/490236640.db2.gz FJFQVGUMNWTTOY-QWRGUYRKSA-N 0 3 248.330 0.625 20 0 BCADHN CN(C)CCSc1nnnn1C1CC1 ZINC000071072806 490254037 /nfs/dbraw/zinc/25/40/37/490254037.db2.gz AMEDRXMWBSLOPN-UHFFFAOYSA-N 0 3 213.310 0.662 20 0 BCADHN CCCCNC(=O)COC1(C)CNC1 ZINC000163075129 490263872 /nfs/dbraw/zinc/26/38/72/490263872.db2.gz WGESEAPULYSMLD-UHFFFAOYSA-N 0 3 200.282 0.281 20 0 BCADHN COC[C@@H](CN1CCC(CC(N)=O)CC1)OC ZINC000659843503 490269908 /nfs/dbraw/zinc/26/99/08/490269908.db2.gz AJMXLEYMYMLMIL-LLVKDONJSA-N 0 3 244.335 0.235 20 0 BCADHN C[C@@H](F)CCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659496643 490305082 /nfs/dbraw/zinc/30/50/82/490305082.db2.gz VIEPXIRRVUARFO-IWSPIJDZSA-N 0 3 235.278 0.815 20 0 BCADHN Cc1nnccc1C(=O)NC1CCN(C)CC1 ZINC000677049937 490331595 /nfs/dbraw/zinc/33/15/95/490331595.db2.gz WSXHSXVPKCOMHY-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN Cc1ncc(CN2CC[C@@H]3CN(C)C[C@@H]32)n1C ZINC000668186628 490337873 /nfs/dbraw/zinc/33/78/73/490337873.db2.gz NMGWKBCUQHGQNI-YPMHNXCESA-N 0 3 234.347 0.864 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC[C@H]1C[C@H]1C ZINC000668505897 490341617 /nfs/dbraw/zinc/34/16/17/490341617.db2.gz DWDNLZFOLIBKCU-DOLQZWNJSA-N 0 3 233.333 0.044 20 0 BCADHN CC[C@@H](N)c1cn([C@@H](C)C(=O)N(C)C)nn1 ZINC000229937822 490367550 /nfs/dbraw/zinc/36/75/50/490367550.db2.gz CEBMXXCBBWZYDG-JGVFFNPUSA-N 0 3 225.296 0.337 20 0 BCADHN CC[C@@H](N)c1cn(CC(=O)N(C)CC)nn1 ZINC000229942482 490368857 /nfs/dbraw/zinc/36/88/57/490368857.db2.gz SUXPKVCYVYNKIH-MRVPVSSYSA-N 0 3 225.296 0.166 20 0 BCADHN CC[C@H](N)c1cn(CCn2ccccc2=O)nn1 ZINC000229941672 490368647 /nfs/dbraw/zinc/36/86/47/490368647.db2.gz IGOVFSPLZQCZML-JTQLQIEISA-N 0 3 247.302 0.550 20 0 BCADHN CC[C@H](N)c1cn(CC(=O)N2CCCC2)nn1 ZINC000229942873 490368788 /nfs/dbraw/zinc/36/87/88/490368788.db2.gz BWIFURIBEKVJHP-VIFPVBQESA-N 0 3 237.307 0.310 20 0 BCADHN CNS(=O)(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655668177 490398420 /nfs/dbraw/zinc/39/84/20/490398420.db2.gz MVJDPMZXPQAVLF-VHSXEESVSA-N 0 3 247.364 0.057 20 0 BCADHN C[C@H](CCO)NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000124714069 490399342 /nfs/dbraw/zinc/39/93/42/490399342.db2.gz PDTJYUMAPCSHFT-PWSUYJOCSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1ncc(CN(C)C[C@H]2CNCCO2)s1 ZINC000125476691 490435930 /nfs/dbraw/zinc/43/59/30/490435930.db2.gz FLXXFJCISQWNMH-SNVBAGLBSA-N 0 3 241.360 0.872 20 0 BCADHN COC1CCN(CCNC(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000079684483 490457731 /nfs/dbraw/zinc/45/77/31/490457731.db2.gz USHKXPIVGGSIEN-CMPLNLGQSA-N 0 3 240.347 0.869 20 0 BCADHN COC1CCN(CCNC(=O)[C@H]2C[C@H]2C)CC1 ZINC000079684472 490457509 /nfs/dbraw/zinc/45/75/09/490457509.db2.gz USHKXPIVGGSIEN-PWSUYJOCSA-N 0 3 240.347 0.869 20 0 BCADHN COC1CCN(CCNC(=O)[C@H]2C[C@@H]2C)CC1 ZINC000079684475 490458024 /nfs/dbraw/zinc/45/80/24/490458024.db2.gz USHKXPIVGGSIEN-JQWIXIFHSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000131005174 490466964 /nfs/dbraw/zinc/46/69/64/490466964.db2.gz BQIOOVCFHSLEII-GDPRMGEGSA-N 0 3 241.335 0.097 20 0 BCADHN CN(C(=O)Cn1ccnc1)[C@H]1CCCN(C)C1 ZINC000073988458 490472709 /nfs/dbraw/zinc/47/27/09/490472709.db2.gz GNOQQIKNCZRZMY-NSHDSACASA-N 0 3 236.319 0.436 20 0 BCADHN Cc1nn(C)cc1CN[C@H]1CCCN(C)C1 ZINC000125993485 490478038 /nfs/dbraw/zinc/47/80/38/490478038.db2.gz LESIIJZGBLGUSJ-LBPRGKRZSA-N 0 3 222.336 0.912 20 0 BCADHN Cc1nn(C)cc1CN[C@@H]1CCCN(C)C1 ZINC000125993267 490478071 /nfs/dbraw/zinc/47/80/71/490478071.db2.gz LESIIJZGBLGUSJ-GFCCVEGCSA-N 0 3 222.336 0.912 20 0 BCADHN C[C@@H](NCc1ccn(C)c1)[C@H]1CN(C)CCO1 ZINC000127013020 490533543 /nfs/dbraw/zinc/53/35/43/490533543.db2.gz FRIMHQSGNDHUFT-DGCLKSJQSA-N 0 3 237.347 0.834 20 0 BCADHN COC1(CO)CCN(CCn2cccn2)CC1 ZINC000401745937 490584621 /nfs/dbraw/zinc/58/46/21/490584621.db2.gz KHNICQGZMZNWHS-UHFFFAOYSA-N 0 3 239.319 0.356 20 0 BCADHN OCc1ccc(CNCC2(CO)CC2)o1 ZINC000080247727 490627475 /nfs/dbraw/zinc/62/74/75/490627475.db2.gz TXHZCLQQYXEECF-UHFFFAOYSA-N 0 3 211.261 0.634 20 0 BCADHN CNC(=O)c1ccc(CNCC2(CO)CC2)cc1 ZINC000080246587 490628229 /nfs/dbraw/zinc/62/82/29/490628229.db2.gz BDFGOHHFICODDZ-UHFFFAOYSA-N 0 3 248.326 0.908 20 0 BCADHN C[C@H]1SCC[C@H]1NCc1cnnn1C ZINC000306582036 490643125 /nfs/dbraw/zinc/64/31/25/490643125.db2.gz HWCUDBPHQFIRSC-VXNVDRBHSA-N 0 3 212.322 0.799 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)c1ccnnc1 ZINC000131511201 490643220 /nfs/dbraw/zinc/64/32/20/490643220.db2.gz KHEFIKTXCICPOA-UHFFFAOYSA-N 0 3 248.330 0.890 20 0 BCADHN CCNC(=O)CN1CCCC[C@@H]1[C@@H](C)CO ZINC000661437053 490678600 /nfs/dbraw/zinc/67/86/00/490678600.db2.gz YILNDWIQZYBZNP-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@H](O)[C@H]1CCCN(CCOCCO)C1 ZINC000136328285 491055958 /nfs/dbraw/zinc/05/59/58/491055958.db2.gz IFCVIPGJYNBSBT-QWRGUYRKSA-N 0 3 217.309 0.088 20 0 BCADHN O=C1CC[C@H]2CN(CCc3cn[nH]c3)CC[C@H]2N1 ZINC000661596400 491059229 /nfs/dbraw/zinc/05/92/29/491059229.db2.gz IHRBUAVOSPTMCW-NWDGAFQWSA-N 0 3 248.330 0.553 20 0 BCADHN CNCC(=O)N[C@H](CC(=O)OC(C)C)C(C)C ZINC000594453031 491076833 /nfs/dbraw/zinc/07/68/33/491076833.db2.gz FKUHQIBUMFHZDL-SNVBAGLBSA-N 0 3 244.335 0.688 20 0 BCADHN COC[C@H](CNCc1cncnc1)OC ZINC000227705908 491064789 /nfs/dbraw/zinc/06/47/89/491064789.db2.gz FWZCSVXVAKUYET-JTQLQIEISA-N 0 3 211.265 0.228 20 0 BCADHN C[C@H]1CN(C(=O)Cc2ccon2)[C@@H](C)CN1 ZINC000237613949 491072016 /nfs/dbraw/zinc/07/20/16/491072016.db2.gz WFQLMOGZYXXKNC-IUCAKERBSA-N 0 3 223.276 0.426 20 0 BCADHN C[C@H]1CCN(CCn2ccccc2=O)[C@@H]1CO ZINC000227188922 491055754 /nfs/dbraw/zinc/05/57/54/491055754.db2.gz TTZQBJWBSPTTPI-NWDGAFQWSA-N 0 3 236.315 0.551 20 0 BCADHN Cn1cc(CCCNCc2ccnn2C)cn1 ZINC000314391208 491066107 /nfs/dbraw/zinc/06/61/07/491066107.db2.gz 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ZINC000493520754 528487787 /nfs/dbraw/zinc/48/77/87/528487787.db2.gz KGPQUYJTMIYGEL-UCUJLANTSA-N 0 3 200.282 0.603 20 0 BCADHN CCO/C=C/C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000493067182 528491807 /nfs/dbraw/zinc/49/18/07/528491807.db2.gz ANGSHSJZLTVUKV-AYLMVEPYSA-N 0 3 242.319 0.374 20 0 BCADHN CCO/C=C\C(=O)N(CCOC)CCN(C)C ZINC000493630054 528507363 /nfs/dbraw/zinc/50/73/63/528507363.db2.gz ZFCYYRCPJLSGHK-POHAHGRESA-N 0 3 244.335 0.573 20 0 BCADHN CCO/C=C\C(=O)N1CCCN(C)CC1 ZINC000493274624 528509281 /nfs/dbraw/zinc/50/92/81/528509281.db2.gz UUCZHAICNNTPBH-YHYXMXQVSA-N 0 3 212.293 0.701 20 0 BCADHN CCOC1CC(N(C)C[C@H]2CN(C)C(=O)O2)C1 ZINC000495728888 528511030 /nfs/dbraw/zinc/51/10/30/528511030.db2.gz MZZVZNOCFQKUDR-ILDUYXDCSA-N 0 3 242.319 0.936 20 0 BCADHN CCN(CCO)CCC(=O)OC(C)C ZINC000304343161 528529281 /nfs/dbraw/zinc/52/92/81/528529281.db2.gz ZHCPJDUPNUZLCO-UHFFFAOYSA-N 0 3 203.282 0.642 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000497082464 528626638 /nfs/dbraw/zinc/62/66/38/528626638.db2.gz XOJQTUTZJHNSNJ-MNOVXSKESA-N 0 3 244.335 0.776 20 0 BCADHN CCOCCCN1CCN(C[C@H](C)O)CC1 ZINC000494484466 528661926 /nfs/dbraw/zinc/66/19/26/528661926.db2.gz KJMQTBVSDHYKMS-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN CCN(C[C@@H]1CN(C)C(=O)O1)[C@H](C)CO ZINC000497058974 528684044 /nfs/dbraw/zinc/68/40/44/528684044.db2.gz YZBYSLZUQUBASC-BDAKNGLRSA-N 0 3 216.281 0.140 20 0 BCADHN CC(C)[C@@H]1CN(Cc2cn(C)nn2)CCN1C ZINC000488075545 528748020 /nfs/dbraw/zinc/74/80/20/528748020.db2.gz ORFDYLHDQYGQGK-LBPRGKRZSA-N 0 3 237.351 0.587 20 0 BCADHN CCOC(=O)C[C@@H](C)NC(=O)/C=C/CN(C)C ZINC000493595602 528864622 /nfs/dbraw/zinc/86/46/22/528864622.db2.gz IRVFTGFQXCNOJF-VQCYPWCPSA-N 0 3 242.319 0.562 20 0 BCADHN CC(C)[C@@](C)(NC(=O)/C=C\CN(C)C)C(N)=O ZINC000493581505 528865973 /nfs/dbraw/zinc/86/59/73/528865973.db2.gz DKGRZEXSOVIVSA-ZHRWSRJISA-N 0 3 241.335 0.120 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1CC[C@H](O)CC1)N(C)C ZINC000512640719 528927047 /nfs/dbraw/zinc/92/70/47/528927047.db2.gz ZZDBHSNKOOHJJF-IJLUTSLNSA-N 0 3 242.363 0.992 20 0 BCADHN CC1(C)CC[C@H]1[NH2+]CCCOC(=O)N=C(N)[O-] ZINC000496665033 529051940 /nfs/dbraw/zinc/05/19/40/529051940.db2.gz RNVZUHCJADRVGO-MRVPVSSYSA-N 0 3 243.307 0.960 20 0 BCADHN CC1(C)CC[C@H]1[NH2+]CCCOC([O-])=NC(N)=O ZINC000496665033 529051943 /nfs/dbraw/zinc/05/19/43/529051943.db2.gz RNVZUHCJADRVGO-MRVPVSSYSA-N 0 3 243.307 0.960 20 0 BCADHN CC1(C)CN(C(=O)C=Cc2c[nH]cn2)CCN1 ZINC000492872682 529061245 /nfs/dbraw/zinc/06/12/45/529061245.db2.gz ZKPXBGKNNONXAK-ONEGZZNKSA-N 0 3 234.303 0.633 20 0 BCADHN CCN1CCN(C(=O)/C=C/CN(C)C)[C@@H](C)C1 ZINC000492808030 529109021 /nfs/dbraw/zinc/10/90/21/529109021.db2.gz ZDAOFVYGRLKDEF-SYTKJHMZSA-N 0 3 239.363 0.657 20 0 BCADHN CC1(C)CN(CC[C@H]2CCOC2)C[C@H](CO)O1 ZINC000400627008 529120833 /nfs/dbraw/zinc/12/08/33/529120833.db2.gz NTLILVJXDUIHSI-NWDGAFQWSA-N 0 3 243.347 0.885 20 0 BCADHN CC[C@@H](C(=O)NCCO)N(CC)CC ZINC000494481858 529282537 /nfs/dbraw/zinc/28/25/37/529282537.db2.gz CDNFAROYXRDDDN-VIFPVBQESA-N 0 3 202.298 0.215 20 0 BCADHN CC[C@@H](C)CNC(=O)NCCOCCN(C)C ZINC000422182677 529323850 /nfs/dbraw/zinc/32/38/50/529323850.db2.gz NLHCKLDPMLTOTR-LLVKDONJSA-N 0 3 245.367 0.910 20 0 BCADHN CCCCCN(CC(N)=O)C[C@H](C)OC ZINC000182465797 535020996 /nfs/dbraw/zinc/02/09/96/535020996.db2.gz LDYSXPJBSDYVMB-JTQLQIEISA-N 0 3 216.325 0.999 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@H](O)C(F)(F)F ZINC000225392349 535056184 /nfs/dbraw/zinc/05/61/84/535056184.db2.gz ZCCUNUXQYVLUOQ-WDSKDSINSA-N 0 3 228.214 0.009 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H](C)c1ncon1 ZINC000261552806 535059017 /nfs/dbraw/zinc/05/90/17/535059017.db2.gz RUVMTEODPAXQQU-RQJHMYQMSA-N 0 3 212.253 0.230 20 0 BCADHN CCCNC(=O)CN(CCC)CCCCO ZINC000343027384 535064123 /nfs/dbraw/zinc/06/41/23/535064123.db2.gz XEZATHHYROTMRL-UHFFFAOYSA-N 0 3 230.352 0.997 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CCCN(C(C)C)CC1 ZINC000336088467 535128951 /nfs/dbraw/zinc/12/89/51/535128951.db2.gz XJVPQQWTNADULH-LBPRGKRZSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000177251168 535140657 /nfs/dbraw/zinc/14/06/57/535140657.db2.gz DMARMIWXGUKLLD-BDAKNGLRSA-N 0 3 200.282 0.217 20 0 BCADHN CCCCN(C)C(=O)[C@@H](N)CCC(=O)OC ZINC000342753846 535207862 /nfs/dbraw/zinc/20/78/62/535207862.db2.gz QRAVEEJGPXPJBS-VIFPVBQESA-N 0 3 230.308 0.525 20 0 BCADHN CCC(=O)N1CCC(OCCN(C)C)CC1 ZINC000351879627 535297051 /nfs/dbraw/zinc/29/70/51/535297051.db2.gz AKFHJBKWMKIVHQ-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CC(C)OCCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000167485642 535335504 /nfs/dbraw/zinc/33/55/04/535335504.db2.gz RUVQTQNKSVPAHM-GHMZBOCLSA-N 0 3 228.336 0.916 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1cc(C)n(C)n1 ZINC000237007446 535348773 /nfs/dbraw/zinc/34/87/73/535348773.db2.gz UDRQWHAEDAHHSD-MRVPVSSYSA-N 0 3 210.281 0.794 20 0 BCADHN CC[C@@H](C(=O)NCCc1cnccn1)N(C)C ZINC000342421926 535416157 /nfs/dbraw/zinc/41/61/57/535416157.db2.gz FNLUJWJXYKZRCB-NSHDSACASA-N 0 3 236.319 0.476 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@H](N(C)C)C1 ZINC000225453520 535452332 /nfs/dbraw/zinc/45/23/32/535452332.db2.gz FYESGHBIDFGEAW-ZJUUUORDSA-N 0 3 213.325 0.276 20 0 BCADHN CCC[C@@](C)(N)C(=O)NC[C@H](O)C(F)(F)F ZINC000226321382 535529467 /nfs/dbraw/zinc/52/94/67/535529467.db2.gz PWFIRTKEQGWDMI-POYBYMJQSA-N 0 3 242.241 0.543 20 0 BCADHN CCNS(=O)(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246689513 535484598 /nfs/dbraw/zinc/48/45/98/535484598.db2.gz YTLFUMFXEQQTGE-UWVGGRQHSA-N 0 3 249.380 0.255 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)C(=O)OC ZINC000163661716 535492963 /nfs/dbraw/zinc/49/29/63/535492963.db2.gz ODWROZFUGUFUCR-MRVPVSSYSA-N 0 3 216.281 0.006 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@@H]2CCOC2)[C@@H]1OC ZINC000169216020 535514102 /nfs/dbraw/zinc/51/41/02/535514102.db2.gz SEGWLZXFKLRCLB-YTWAJWBKSA-N 0 3 215.293 0.557 20 0 BCADHN CC[C@@H](C)N(C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000170915560 535547803 /nfs/dbraw/zinc/54/78/03/535547803.db2.gz NQLGKVRJPPJVPQ-ZJUUUORDSA-N 0 3 243.351 0.310 20 0 BCADHN CCCn1cc(CN[C@@H](CCO)COC)cn1 ZINC000219131832 535613823 /nfs/dbraw/zinc/61/38/23/535613823.db2.gz CKUMPAHGHWUCFJ-LBPRGKRZSA-N 0 3 241.335 0.780 20 0 BCADHN CCC[C@H](C)N(C)C(=O)[C@H](N)CCC(=O)OC ZINC000342748952 535628747 /nfs/dbraw/zinc/62/87/47/535628747.db2.gz JWGJXRFAJOOSHP-VHSXEESVSA-N 0 3 244.335 0.914 20 0 BCADHN CCN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000336005420 535632630 /nfs/dbraw/zinc/63/26/30/535632630.db2.gz ZWSBEEYHEHYKBH-SSDOTTSWSA-N 0 3 239.241 0.040 20 0 BCADHN CCC[C@H](C)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000336626886 535634455 /nfs/dbraw/zinc/63/44/55/535634455.db2.gz OBGJNHRFKVMCDT-DTWKUNHWSA-N 0 3 225.292 0.411 20 0 BCADHN CCN1CCN(C(=O)[C@H](C)NC2CC2)CC1 ZINC000261546682 535640672 /nfs/dbraw/zinc/64/06/72/535640672.db2.gz LFLDXJXLCKOCOL-JTQLQIEISA-N 0 3 225.336 0.291 20 0 BCADHN CCOC(=O)CN1CCN(C)[C@@H](C(C)C)C1 ZINC000261038538 535678312 /nfs/dbraw/zinc/67/83/12/535678312.db2.gz HHQLOIXMJIGFBR-LLVKDONJSA-N 0 3 228.336 0.822 20 0 BCADHN CCOC(=O)COCCN(C)CC[C@@H](C)O ZINC000219801185 535685424 /nfs/dbraw/zinc/68/54/24/535685424.db2.gz SCECLUKYSRQYKP-SNVBAGLBSA-N 0 3 233.308 0.269 20 0 BCADHN CCC[C@H]1C[C@H]1NC(=O)[C@H]1C[C@H](F)CN1 ZINC000262085487 535750836 /nfs/dbraw/zinc/75/08/36/535750836.db2.gz FXYRPDLARXCOKF-AXTSPUMRSA-N 0 3 214.284 0.991 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCNC[C@@](C)(F)C1 ZINC000336212431 535758715 /nfs/dbraw/zinc/75/87/15/535758715.db2.gz WKJIWUXAGTVOTF-NEPJUHHUSA-N 0 3 245.342 0.664 20 0 BCADHN CCN(C[C@@H](C)O)[C@@H](C)C(=O)NCC(C)C ZINC000352209276 535765034 /nfs/dbraw/zinc/76/50/34/535765034.db2.gz ASGKHMSYDNXJQI-MNOVXSKESA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@@H]1CCCN1CC(=O)N1CCNC1=O ZINC000335934183 535820512 /nfs/dbraw/zinc/82/05/12/535820512.db2.gz YBDHKRCKVVXXPY-SECBINFHSA-N 0 3 225.292 0.413 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCCO[C@@H](C)C1 ZINC000217589658 535844809 /nfs/dbraw/zinc/84/48/09/535844809.db2.gz AJWNFQZODFALHQ-GARJFASQSA-N 0 3 228.336 0.997 20 0 BCADHN CN(C)CCNC(=O)NCCC1CCOCC1 ZINC000342669143 535882514 /nfs/dbraw/zinc/88/25/14/535882514.db2.gz WAMCYGWIEIKXOB-UHFFFAOYSA-N 0 3 243.351 0.664 20 0 BCADHN CN(C)CCNC(=O)c1ccc(N(C)C)cn1 ZINC000348928278 535890294 /nfs/dbraw/zinc/89/02/94/535890294.db2.gz BUKHZWQACARJGI-UHFFFAOYSA-N 0 3 236.319 0.439 20 0 BCADHN CN(C)CCOCCNC(=O)[C@H]1C[C@H]1C1CC1 ZINC000345603026 535899861 /nfs/dbraw/zinc/89/98/61/535899861.db2.gz MFSOZRJZPCLLKY-RYUDHWBXSA-N 0 3 240.347 0.727 20 0 BCADHN CN(C)C[C@@H]1CN(C(=O)NC2CC2)CCO1 ZINC000172046789 535946327 /nfs/dbraw/zinc/94/63/27/535946327.db2.gz ITJBIHUKIZYZTF-SNVBAGLBSA-N 0 3 227.308 0.121 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCn1ccnc1C ZINC000269682257 535952921 /nfs/dbraw/zinc/95/29/21/535952921.db2.gz SVHDKPNANVMOBR-ONGXEEELSA-N 0 3 238.335 0.681 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC[C@H](O)C(C)(C)C ZINC000237044421 535953757 /nfs/dbraw/zinc/95/37/57/535953757.db2.gz SHGYEBWCORMVRA-GUBZILKMSA-N 0 3 230.352 0.883 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC[C@H](C)C[C@@H](C)O ZINC000155514087 535953691 /nfs/dbraw/zinc/95/36/91/535953691.db2.gz GBCTVLYNBHUKEP-YTWAJWBKSA-N 0 3 230.352 0.883 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC[C@H](C)OC ZINC000223706053 535953817 /nfs/dbraw/zinc/95/38/17/535953817.db2.gz UDHKUONZQFGYHK-CIUDSAMLSA-N 0 3 202.298 0.511 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)C1(C)CCC1 ZINC000153216725 535971057 /nfs/dbraw/zinc/97/10/57/535971057.db2.gz RTDOWUBFRWGGAW-GFCCVEGCSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](O)CCN[C@@H](C)CS(C)(=O)=O ZINC000162312809 535977962 /nfs/dbraw/zinc/97/79/62/535977962.db2.gz IHDVRHMJILUFON-IUCAKERBSA-N 0 3 223.338 0.170 20 0 BCADHN CN(C(=O)C[C@@H]1CSCCN1)C1CC(O)C1 ZINC000335345541 536003638 /nfs/dbraw/zinc/00/36/38/536003638.db2.gz LSPBAGZSNQSPNG-XNWIYYODSA-N 0 3 244.360 0.063 20 0 BCADHN CC[C@H](SC)C(=O)N1CCCNCC1 ZINC000335664446 536055578 /nfs/dbraw/zinc/05/55/78/536055578.db2.gz WUEMIMQTKKYDAD-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN CC[C@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000336003979 536125884 /nfs/dbraw/zinc/12/58/84/536125884.db2.gz HNDSIFPHNSCQFQ-NKWVEPMBSA-N 0 3 240.225 0.513 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)C1CCN(C)CC1 ZINC000260131903 536304065 /nfs/dbraw/zinc/30/40/65/536304065.db2.gz RVGJJQUPVPIVGN-SECBINFHSA-N 0 3 242.319 0.396 20 0 BCADHN CNC(=O)NC(=O)CN1CCCCC(C)(C)C1 ZINC000336180387 536322089 /nfs/dbraw/zinc/32/20/89/536322089.db2.gz XVWSKFDJRHGLTM-UHFFFAOYSA-N 0 3 241.335 0.954 20 0 BCADHN CN1CCC(CC(=O)N2CCC[C@@H](O)C2)CC1 ZINC000258983628 536336117 /nfs/dbraw/zinc/33/61/17/536336117.db2.gz FEISKDIUQUIROU-GFCCVEGCSA-N 0 3 240.347 0.702 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@@H](N)C(C)(C)C ZINC000237214355 536337907 /nfs/dbraw/zinc/33/79/07/536337907.db2.gz YFRLKRPQMYQBHW-IONNQARKSA-N 0 3 230.308 0.428 20 0 BCADHN CNC(=O)[C@@H](CCSC)NCc1cc[nH]c1 ZINC000336759144 536347783 /nfs/dbraw/zinc/34/77/83/536347783.db2.gz ISNIYNWAOMTUOK-SNVBAGLBSA-N 0 3 241.360 0.972 20 0 BCADHN COC(=O)C[C@]1(NC[C@H]2CCCO2)CCOC1 ZINC000260336119 536363434 /nfs/dbraw/zinc/36/34/34/536363434.db2.gz LTSVZORLACTKKM-ZYHUDNBSSA-N 0 3 243.303 0.477 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)N1CCCC1 ZINC000221171028 536372382 /nfs/dbraw/zinc/37/23/82/536372382.db2.gz XTJYKZISSMKGFQ-SNVBAGLBSA-N 0 3 211.309 0.886 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC000249947375 536374368 /nfs/dbraw/zinc/37/43/68/536374368.db2.gz ZOXSWEJAWDCJKQ-NXEZZACHSA-N 0 3 212.293 0.376 20 0 BCADHN CN(CCOCC1CC1)CCC(N)=O ZINC000087400120 536393401 /nfs/dbraw/zinc/39/34/01/536393401.db2.gz OXNANIHPDDWHHA-UHFFFAOYSA-N 0 3 200.282 0.220 20 0 BCADHN CN1CCN(C[C@@H]2CCOC2)C(C)(C)C1=O ZINC000335719013 536414373 /nfs/dbraw/zinc/41/43/73/536414373.db2.gz OYRXSEGRQHRMFN-JTQLQIEISA-N 0 3 226.320 0.576 20 0 BCADHN CO[C@H](CN)C(=O)N(CC(F)F)C1CC1 ZINC000261566461 536554658 /nfs/dbraw/zinc/55/46/58/536554658.db2.gz DPQFDTMYMFNQSY-SSDOTTSWSA-N 0 3 222.235 0.216 20 0 BCADHN COCCO[C@@H]1CCCN(CCOCCO)C1 ZINC000179296143 536557459 /nfs/dbraw/zinc/55/74/59/536557459.db2.gz URTMTLGESVMYKI-GFCCVEGCSA-N 0 3 247.335 0.123 20 0 BCADHN COC[C@@H](C)N[C@H](Cc1ccccc1)C(N)=O ZINC000351387331 536554218 /nfs/dbraw/zinc/55/42/18/536554218.db2.gz PPTOYDNPESPMFK-ZYHUDNBSSA-N 0 3 236.315 0.708 20 0 BCADHN CO[C@H](CN)C(=O)N1CCOc2ccccc21 ZINC000227375568 536556826 /nfs/dbraw/zinc/55/68/26/536556826.db2.gz YALLKONOACBGBS-LLVKDONJSA-N 0 3 236.271 0.386 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@@H](C)C(C)C ZINC000227386438 536558113 /nfs/dbraw/zinc/55/81/13/536558113.db2.gz PMTRXVCHPVETMU-RKDXNWHRSA-N 0 3 202.298 0.368 20 0 BCADHN CO[C@@H]1CCCC[C@H]1N[C@H]1CCCNC1=O ZINC000250445035 536603897 /nfs/dbraw/zinc/60/38/97/536603897.db2.gz CFHCJTQRWRKBMD-OUAUKWLOSA-N 0 3 226.320 0.812 20 0 BCADHN CO[C@@H]1CCCC[C@H]1N[C@H](C)CS(C)(=O)=O ZINC000251007197 536603984 /nfs/dbraw/zinc/60/39/84/536603984.db2.gz SGEDTKAWLWDLLL-GMTAPVOTSA-N 0 3 249.376 0.967 20 0 BCADHN COCCCOCC(=O)N(C)CCN(C)C ZINC000342966791 536607283 /nfs/dbraw/zinc/60/72/83/536607283.db2.gz RPAQPOMLHQUCKT-UHFFFAOYSA-N 0 3 232.324 0.060 20 0 BCADHN COC[C@@H]1CCN(C(=O)[C@H]2C[C@H](C)CCN2)C1 ZINC000253152689 536771272 /nfs/dbraw/zinc/77/12/72/536771272.db2.gz JUHCPSGZNZZGOE-IJLUTSLNSA-N 0 3 240.347 0.869 20 0 BCADHN COC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000335312469 536769823 /nfs/dbraw/zinc/76/98/23/536769823.db2.gz ZXALOZPYMWWKAP-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN CO[C@H](C)CCNC(=O)NCCN(C)C ZINC000342669171 536857414 /nfs/dbraw/zinc/85/74/14/536857414.db2.gz WIGSYWBBLIALCU-SECBINFHSA-N 0 3 217.313 0.272 20 0 BCADHN COCCNCC(=O)N(C)CC1CCCC1 ZINC000086158295 536893162 /nfs/dbraw/zinc/89/31/62/536893162.db2.gz VZRKEHAZSUKRFM-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@@H](C(=O)NC[C@@H]1CNCCO1)C1CCCC1 ZINC000643603590 566268353 /nfs/dbraw/zinc/26/83/53/566268353.db2.gz WCTQPZOPSRLNII-PWSUYJOCSA-N 0 3 240.347 0.917 20 0 BCADHN CCN1CCCN(C(=O)[C@@H](COC)OC)CC1 ZINC000668475368 566285748 /nfs/dbraw/zinc/28/57/48/566285748.db2.gz NARLWLRHSINIAX-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN O=C1CC2(CN1)CCN(CCOC(F)F)CC2 ZINC000851795000 582967486 /nfs/dbraw/zinc/96/74/86/582967486.db2.gz NPFQTUWMJCJXIC-UHFFFAOYSA-N 0 3 248.273 0.828 20 0 BCADHN CN(C)CCN(C)c1cc(N(C)C)ncn1 ZINC000892778365 582981183 /nfs/dbraw/zinc/98/11/83/582981183.db2.gz UFLUZTMXGPITJC-UHFFFAOYSA-N 0 3 223.324 0.540 20 0 BCADHN CC[S@](=O)CCN[C@H](C)COCCOC ZINC000892952517 583017853 /nfs/dbraw/zinc/01/78/53/583017853.db2.gz YZIJWXYKIRSDDT-BMIGLBTASA-N 0 3 237.365 0.396 20 0 BCADHN CS[C@H](CO)[C@@H](C)N[C@H](C)COC(C)=O ZINC000892995393 583026937 /nfs/dbraw/zinc/02/69/37/583026937.db2.gz QRXKELBYKZCIFP-NQMVMOMDSA-N 0 3 235.349 0.640 20 0 BCADHN C[C@@H](O)CCN[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893113420 583051797 /nfs/dbraw/zinc/05/17/97/583051797.db2.gz ZAVUIWZUSPRLSN-MXWKQRLJSA-N 0 3 247.310 0.981 20 0 BCADHN C[C@@H](O)C[C@H](C)Nc1ccncc1CO ZINC000893128278 583053805 /nfs/dbraw/zinc/05/38/05/583053805.db2.gz SLTKXKVPFXSZMM-DTWKUNHWSA-N 0 3 210.277 0.567 20 0 BCADHN C[C@H](O)CN(C)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893546042 583161702 /nfs/dbraw/zinc/16/17/02/583161702.db2.gz ONKIZNIIRRKYDT-GARJFASQSA-N 0 3 247.310 0.933 20 0 BCADHN COCC1CC(OC(=O)C2CCN(C)C2=O)C1 ZINC000893639573 583183403 /nfs/dbraw/zinc/18/34/03/583183403.db2.gz GDRBAUKVAPKHFO-RTBKNWGFSA-N 0 3 241.287 0.433 20 0 BCADHN CCN(CCO)C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000893870830 583235636 /nfs/dbraw/zinc/23/56/36/583235636.db2.gz CTKDFNNMKPMFOQ-SFYZADRCSA-N 0 3 237.246 0.355 20 0 BCADHN CC12CC(C1)CN2C(=O)C1=NO[C@@H](CN)C1 ZINC000852931297 588714083 /nfs/dbraw/zinc/71/40/83/588714083.db2.gz ZEHNWJCJEHTSPW-JKDSDDBFSA-N 0 3 223.276 0.101 20 0 BCADHN Cc1c(CNC[C@H](O)c2ccccn2)cnn1C ZINC000853104034 588720456 /nfs/dbraw/zinc/72/04/56/588720456.db2.gz QAHQTYKVUMXCFA-ZDUSSCGKSA-N 0 3 246.314 0.947 20 0 BCADHN CC(C(=O)NC1CC1)S(=O)(=O)C(C)(C)C ZINC000853021032 588716234 /nfs/dbraw/zinc/71/62/34/588716234.db2.gz LWYDOFRHXWFXRK-SSDOTTSWSA-N 0 3 233.333 0.867 20 0 BCADHN CNC(=S)NC1CCN([C@H]2CCOC2)CC1 ZINC000853031913 588717213 /nfs/dbraw/zinc/71/72/13/588717213.db2.gz NEBCSDJJIUMQGN-JTQLQIEISA-N 0 3 243.376 0.334 20 0 BCADHN CC(C)[C@H](O)CNC[C@H](O)c1ccccn1 ZINC000853110316 588718997 /nfs/dbraw/zinc/71/89/97/588718997.db2.gz YDZMTLHGXLWSDE-NEPJUHHUSA-N 0 3 224.304 0.722 20 0 BCADHN Cn1nccc1CNC[C@H](O)c1ccccn1 ZINC000853096797 588719716 /nfs/dbraw/zinc/71/97/16/588719716.db2.gz MDEZPRMXKUCEFS-LBPRGKRZSA-N 0 3 232.287 0.638 20 0 BCADHN CN1C[C@H](NC[C@@H](O)c2ccccn2)CCC1=O ZINC000853100295 588719982 /nfs/dbraw/zinc/71/99/82/588719982.db2.gz BLYSYURPHXEXJA-ZYHUDNBSSA-N 0 3 249.314 0.325 20 0 BCADHN O[C@H](CN[C@@H]1CCN(C2CC2)C1)c1ccccn1 ZINC000853098738 588720057 /nfs/dbraw/zinc/72/00/57/588720057.db2.gz LTPSWJYHCXZEAY-BXUZGUMPSA-N 0 3 247.342 0.941 20 0 BCADHN O[C@H](CNCCOCC(F)F)c1ccccn1 ZINC000853106053 588720722 /nfs/dbraw/zinc/72/07/22/588720722.db2.gz ZZJYAZAOICLWCR-SNVBAGLBSA-N 0 3 246.257 0.986 20 0 BCADHN COC[C@@H](CNC[C@H](O)c1ccccn1)OC ZINC000853106048 588720859 /nfs/dbraw/zinc/72/08/59/588720859.db2.gz ZWRZXLYCVAOYRF-PWSUYJOCSA-N 0 3 240.303 0.366 20 0 BCADHN C[C@@]1(CNC[C@H](O)c2ccccn2)CCC(=O)N1 ZINC000853106564 588720889 /nfs/dbraw/zinc/72/08/89/588720889.db2.gz BYFULBJALRSHFB-AAEUAGOBSA-N 0 3 249.314 0.373 20 0 BCADHN OCC1(CNC[C@@H](O)c2ccccn2)CCC1 ZINC000853108203 588720927 /nfs/dbraw/zinc/72/09/27/588720927.db2.gz DPLUDYJUNZWTDZ-GFCCVEGCSA-N 0 3 236.315 0.867 20 0 BCADHN OCC1(CNC[C@@H](O)c2ccccn2)CC1 ZINC000853109607 588721036 /nfs/dbraw/zinc/72/10/36/588721036.db2.gz OITQJCYTPYBLQU-LLVKDONJSA-N 0 3 222.288 0.477 20 0 BCADHN O[C@H](CN[C@@H]1CCC[C@H]1O)c1ccccn1 ZINC000853108663 588721088 /nfs/dbraw/zinc/72/10/88/588721088.db2.gz JCIRWKXJPFIQRO-YUSALJHKSA-N 0 3 222.288 0.618 20 0 BCADHN CC[C@@H](O)CCNC[C@H](O)c1ccccn1 ZINC000853108385 588721152 /nfs/dbraw/zinc/72/11/52/588721152.db2.gz GHJVRSGSALDMHA-PWSUYJOCSA-N 0 3 224.304 0.866 20 0 BCADHN COCCN1CC[C@H](Nc2cnc(F)cn2)C1 ZINC000853297438 588731524 /nfs/dbraw/zinc/73/15/24/588731524.db2.gz BMLTTXGBBQZFAR-VIFPVBQESA-N 0 3 240.282 0.748 20 0 BCADHN CN(CC1CN(C)C1)Cn1ncn(C)c1=S ZINC000853552566 588748643 /nfs/dbraw/zinc/74/86/43/588748643.db2.gz BBNHLAMEUQTIMU-UHFFFAOYSA-N 0 3 241.364 0.402 20 0 BCADHN CC[C@@H]1CC(=O)N(CN(C)CC2CN(C)C2)C1 ZINC000853553499 588748675 /nfs/dbraw/zinc/74/86/75/588748675.db2.gz OYYNVLKAMQEEMM-LLVKDONJSA-N 0 3 239.363 0.696 20 0 BCADHN CN(CC1CN(C)C1)CN1CCC(C)(C)C1=O ZINC000853553256 588748684 /nfs/dbraw/zinc/74/86/84/588748684.db2.gz CTYOBJUFEZGMIC-UHFFFAOYSA-N 0 3 239.363 0.696 20 0 BCADHN CSc1cnc(N[C@@H](CO)CN(C)C)nc1 ZINC000853625156 588750891 /nfs/dbraw/zinc/75/08/91/588750891.db2.gz PYNKSQOUIQSXBI-MRVPVSSYSA-N 0 3 242.348 0.533 20 0 BCADHN CCCCCCN(C)CC(=O)NCC(=O)OC ZINC000111545881 588760172 /nfs/dbraw/zinc/76/01/72/588760172.db2.gz DPIZURADGRUBFJ-UHFFFAOYSA-N 0 3 244.335 0.788 20 0 BCADHN Cc1cc(N(C)C[C@@H]2COCCO2)nc(N)n1 ZINC000853829934 588765250 /nfs/dbraw/zinc/76/52/50/588765250.db2.gz PDWISSVWJXKJGR-SECBINFHSA-N 0 3 238.291 0.219 20 0 BCADHN CCCN1CC[C@@H](NC(=O)c2noc(C)n2)C1 ZINC000853859010 588766341 /nfs/dbraw/zinc/76/63/41/588766341.db2.gz OPQSCKKRYXPABB-SECBINFHSA-N 0 3 238.291 0.592 20 0 BCADHN Cc1cc(N2CCC3(COC3)C2)nc(N)n1 ZINC000853951279 588770202 /nfs/dbraw/zinc/77/02/02/588770202.db2.gz RNKSBXGREGNKFJ-UHFFFAOYSA-N 0 3 220.276 0.594 20 0 BCADHN CC(C)(C)/C=C\C(=O)N1CCOC2(CNC2)C1 ZINC000854015141 588771754 /nfs/dbraw/zinc/77/17/54/588771754.db2.gz ITBRWDZYQXSVQS-PLNGDYQASA-N 0 3 238.331 0.790 20 0 BCADHN CCC/C=C/C(=O)N1CCOC2(CNC2)C1 ZINC000854016451 588771758 /nfs/dbraw/zinc/77/17/58/588771758.db2.gz WNDPPIJWURTWDO-SNAWJCMRSA-N 0 3 224.304 0.544 20 0 BCADHN c1cnc(CN[C@@H](C2CC2)[C@H]2CNCCO2)nc1 ZINC000854228353 588781023 /nfs/dbraw/zinc/78/10/23/588781023.db2.gz PDUFSQMGOUJALS-YPMHNXCESA-N 0 3 248.330 0.333 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(C)=NO1 ZINC000854297532 588782975 /nfs/dbraw/zinc/78/29/75/588782975.db2.gz RXZQZDTUKDQPCO-QWRGUYRKSA-N 0 3 239.319 0.752 20 0 BCADHN CC1=NO[C@@H](C(=O)NCCN2CCCC2)C1 ZINC000854298323 588783148 /nfs/dbraw/zinc/78/31/48/588783148.db2.gz AJWPRPAWUGPDHY-SNVBAGLBSA-N 0 3 225.292 0.363 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)C2=COCC2)CC1 ZINC000854356528 588785001 /nfs/dbraw/zinc/78/50/01/588785001.db2.gz DGFRQBPRHMGONY-UHFFFAOYSA-N 0 3 226.276 0.433 20 0 BCADHN COC(OC)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC000854462831 588788162 /nfs/dbraw/zinc/78/81/62/588788162.db2.gz PZUUVWCKUGFPFJ-SECBINFHSA-N 0 3 244.335 0.594 20 0 BCADHN CCCC[C@](C)(F)C(=O)N[C@@H](CO)CN(C)C ZINC000854467650 588788675 /nfs/dbraw/zinc/78/86/75/588788675.db2.gz WYRYCOLUJVYWKU-PWSUYJOCSA-N 0 3 248.342 0.944 20 0 BCADHN CC(C)=C(C)C(=O)N[C@@H](CO)CN(C)C ZINC000854466645 588788962 /nfs/dbraw/zinc/78/89/62/588788962.db2.gz HNRNWEYVBDWPGP-SNVBAGLBSA-N 0 3 214.309 0.381 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1COC(=O)C1 ZINC000854556308 588794266 /nfs/dbraw/zinc/79/42/66/588794266.db2.gz PPNTWPCABCJQFG-GUBZILKMSA-N 0 3 240.303 0.291 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@@H]1COC(=O)C1)N(C)C ZINC000854556339 588794369 /nfs/dbraw/zinc/79/43/69/588794369.db2.gz QZUJCYSCZOVMHQ-WPRPVWTQSA-N 0 3 228.292 0.004 20 0 BCADHN C[C@H]1[C@@H](N(C)C)CCN1C(=O)c1cc(C=O)c[nH]1 ZINC000854651323 588799443 /nfs/dbraw/zinc/79/94/43/588799443.db2.gz WQYJPSWJIBLHHG-CABZTGNLSA-N 0 3 249.314 0.992 20 0 BCADHN Cc1nnc(C(=O)NOCCN(C)C)s1 ZINC000854690035 588801605 /nfs/dbraw/zinc/80/16/05/588801605.db2.gz OJMVXMZYZYQUTK-UHFFFAOYSA-N 0 3 230.293 0.070 20 0 BCADHN C[C@H](CC(=O)[N-]OCC[NH+](C)C)[C@@H]1CCCO1 ZINC000854690615 588801630 /nfs/dbraw/zinc/80/16/30/588801630.db2.gz DIWHIPGMAMJATN-MNOVXSKESA-N 0 3 244.335 0.801 20 0 BCADHN C[C@@H](CC(=O)[N-]OCC[NH+](C)C)[C@@H]1CCCO1 ZINC000854690616 588801708 /nfs/dbraw/zinc/80/17/08/588801708.db2.gz DIWHIPGMAMJATN-QWRGUYRKSA-N 0 3 244.335 0.801 20 0 BCADHN CC1(C)CCCN1CCNC(=O)[C@H](O)C1CC1 ZINC000854893342 588815570 /nfs/dbraw/zinc/81/55/70/588815570.db2.gz JKXMZPQKWGBPAO-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN CN(C)CCONC(=O)c1cc(F)c[nH]1 ZINC000854945445 588817400 /nfs/dbraw/zinc/81/74/00/588817400.db2.gz QMBKVZYUMGRNKK-UHFFFAOYSA-N 0 3 215.228 0.377 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)CC1CCOCC1 ZINC000854945795 588817870 /nfs/dbraw/zinc/81/78/70/588817870.db2.gz PWDJTPGLMWMTCS-UHFFFAOYSA-N 0 3 230.308 0.413 20 0 BCADHN C[C@H]1C[C@@H](C(=O)NOCCN(C)C)CCO1 ZINC000854945816 588817966 /nfs/dbraw/zinc/81/79/66/588817966.db2.gz QQPSGYWAUHDDSK-UWVGGRQHSA-N 0 3 230.308 0.411 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)CCC(C)(C)O ZINC000854945379 588818143 /nfs/dbraw/zinc/81/81/43/588818143.db2.gz IDNWORJOJUYTSH-UHFFFAOYSA-N 0 3 218.297 0.147 20 0 BCADHN CN(C)CCONC(=O)c1cc2cccnc2[nH]1 ZINC000854947438 588818278 /nfs/dbraw/zinc/81/82/78/588818278.db2.gz WIZWGNBFDMBTRO-UHFFFAOYSA-N 0 3 248.286 0.786 20 0 BCADHN CN(C)CCONC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000854947416 588818309 /nfs/dbraw/zinc/81/83/09/588818309.db2.gz VKTYMEFYTMTLTJ-NWDGAFQWSA-N 0 3 249.314 0.795 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 ZINC000854987105 588819899 /nfs/dbraw/zinc/81/98/99/588819899.db2.gz KJCBLIAGXJUEFH-WDEREUQCSA-N 0 3 248.330 0.505 20 0 BCADHN Cc1[nH]c(C=O)cc1C(=O)NC[C@H](C)N(C)C ZINC000855009740 588820207 /nfs/dbraw/zinc/82/02/07/588820207.db2.gz RIKCBNIXKHVYPY-QMMMGPOBSA-N 0 3 237.303 0.816 20 0 BCADHN CC[C@H](CO)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000855165488 588824672 /nfs/dbraw/zinc/82/46/72/588824672.db2.gz WLZXSCOQYQLWCQ-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1C(=O)N(C)CCN1c1ccnc(CO)c1 ZINC000858491026 582462148 /nfs/dbraw/zinc/46/21/48/582462148.db2.gz VOOILGKNOPHSEH-SECBINFHSA-N 0 3 235.287 0.241 20 0 BCADHN CON(C)C(=O)[C@@H](C)NC1CCC(O)CC1 ZINC000858586136 582468816 /nfs/dbraw/zinc/46/88/16/582468816.db2.gz ACRUVMFOAMSHDK-XNWIYYODSA-N 0 3 230.308 0.288 20 0 BCADHN CCN(C(=O)c1ccnnc1)[C@@H]1CCN(C)C1 ZINC000855360157 588828765 /nfs/dbraw/zinc/82/87/65/588828765.db2.gz HYLRCFZNMLJFOR-LLVKDONJSA-N 0 3 234.303 0.643 20 0 BCADHN CCN(C(=O)[C@@H]1CC(C)=NO1)[C@H]1CCN(C)C1 ZINC000855363177 588829193 /nfs/dbraw/zinc/82/91/93/588829193.db2.gz ZNKPCXYMTCNFRO-QWRGUYRKSA-N 0 3 239.319 0.704 20 0 BCADHN CCN(C[C@@H](C)OC)C(=S)NCCN(C)C ZINC000812263999 582502560 /nfs/dbraw/zinc/50/25/60/582502560.db2.gz AXHBUBBGRRXNIJ-SNVBAGLBSA-N 0 3 247.408 0.779 20 0 BCADHN CC[C@@H](C(=O)NCC[C@H](O)C1CC1)N(C)C ZINC000890714556 582512608 /nfs/dbraw/zinc/51/26/08/582512608.db2.gz RGHVCMNLFITQTO-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)N(C)CC(=O)NCC[C@@H](O)C1CC1 ZINC000890726631 582518879 /nfs/dbraw/zinc/51/88/79/582518879.db2.gz ADZGEFWMGZOBJG-LLVKDONJSA-N 0 3 228.336 0.604 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N[C@H](CO)C1CC1 ZINC000778695079 582553619 /nfs/dbraw/zinc/55/36/19/582553619.db2.gz HEBJJGLUEFJQAV-WDEREUQCSA-N 0 3 241.335 0.151 20 0 BCADHN CC[C@H](CO)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000855491781 588838302 /nfs/dbraw/zinc/83/83/02/588838302.db2.gz UFOLPVHKJSYRMB-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN O=C(NC/C=C/Cl)[C@H]1CN2CCN1CCC2 ZINC000891205327 582630829 /nfs/dbraw/zinc/63/08/29/582630829.db2.gz RGCVXZUOVGMYOA-UDIQPFLZSA-N 0 3 243.738 0.245 20 0 BCADHN CCC1(O)CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000846684903 582664293 /nfs/dbraw/zinc/66/42/93/582664293.db2.gz XIXMTYTWUOXILL-LBPRGKRZSA-N 0 3 244.310 0.452 20 0 BCADHN COCCNC(=O)NCCN1CC[C@H](C)C1 ZINC000891408566 582679517 /nfs/dbraw/zinc/67/95/17/582679517.db2.gz KIWCESJTADDPRZ-JTQLQIEISA-N 0 3 229.324 0.274 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)NC(C)(C)CN(C)C)C1 ZINC000891412035 582680798 /nfs/dbraw/zinc/68/07/98/582680798.db2.gz DROGUQNWHDZUBM-UWVGGRQHSA-N 0 3 228.336 0.868 20 0 BCADHN CCN(CCO)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891450610 582689176 /nfs/dbraw/zinc/68/91/76/582689176.db2.gz JAKIHQPSVCAONT-MNOVXSKESA-N 0 3 247.310 0.934 20 0 BCADHN CN(C)C(=O)CN(C)c1ccncc1CO ZINC000891510710 582694376 /nfs/dbraw/zinc/69/43/76/582694376.db2.gz XXOMQRHKJXRDAY-UHFFFAOYSA-N 0 3 223.276 0.098 20 0 BCADHN CN(C)C(=O)CNc1cc(N)ncc1Cl ZINC000891543246 582696158 /nfs/dbraw/zinc/69/61/58/582696158.db2.gz ANDWMNDCKNVCBW-UHFFFAOYSA-N 0 3 228.683 0.817 20 0 BCADHN C/C=C/C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000855697802 588845363 /nfs/dbraw/zinc/84/53/63/588845363.db2.gz ZSJYVXOHFOWUGG-VOTSOKGWSA-N 0 3 241.335 0.041 20 0 BCADHN CCOCCNC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000891778801 582719302 /nfs/dbraw/zinc/71/93/02/582719302.db2.gz DBIPYKIWQFKWPE-QWRGUYRKSA-N 0 3 241.335 0.368 20 0 BCADHN CCn1cnnc1CNc1ccncc1CO ZINC000891849910 582729840 /nfs/dbraw/zinc/72/98/40/582729840.db2.gz LLRLHYUVENFCKH-UHFFFAOYSA-N 0 3 233.275 0.219 20 0 BCADHN C[C@@H](CNc1ccncc1CO)Cn1cccn1 ZINC000891861617 582730650 /nfs/dbraw/zinc/73/06/50/582730650.db2.gz ITIFNKBTYJEUJC-NSHDSACASA-N 0 3 246.314 0.941 20 0 BCADHN C[C@H]1CC[C@H](CNC(=S)NCCN(C)C)O1 ZINC000840842599 582735346 /nfs/dbraw/zinc/73/53/46/582735346.db2.gz XRDFRGOTFDQIEF-VHSXEESVSA-N 0 3 245.392 0.580 20 0 BCADHN Cc1cc(N)nc(N[C@H](C)CN2CCCC2=O)n1 ZINC000891913704 582737037 /nfs/dbraw/zinc/73/70/37/582737037.db2.gz LEPMGLACBVXAJW-SECBINFHSA-N 0 3 249.318 0.790 20 0 BCADHN Cc1cc(N)nc(N[C@@H](C)CN2CCCC2=O)n1 ZINC000891913705 582737186 /nfs/dbraw/zinc/73/71/86/582737186.db2.gz LEPMGLACBVXAJW-VIFPVBQESA-N 0 3 249.318 0.790 20 0 BCADHN OCc1cnccc1NC[C@H]1CCCCO1 ZINC000892002311 582758933 /nfs/dbraw/zinc/75/89/33/582758933.db2.gz PKRJRRQOXZVNBQ-LLVKDONJSA-N 0 3 222.288 0.977 20 0 BCADHN COCCNCCNC(=O)N1CC[C@H](CF)C1 ZINC000892055920 582778111 /nfs/dbraw/zinc/77/81/11/582778111.db2.gz MTMVMJBAGBBPTF-SNVBAGLBSA-N 0 3 247.314 0.223 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000892061745 582780188 /nfs/dbraw/zinc/78/01/88/582780188.db2.gz UWIAYVXUMMIOSH-KXNHARMFSA-N 0 3 237.347 0.988 20 0 BCADHN Cc1cnn(C)c1CN[C@H](C)C(C)(C)O ZINC000393604299 582816966 /nfs/dbraw/zinc/81/69/66/582816966.db2.gz IHGBWVCPUKNZMX-SECBINFHSA-N 0 3 211.309 0.978 20 0 BCADHN C[C@@H](NC(=O)c1ncccn1)C1=CCN(C)CC1 ZINC000781190820 582851380 /nfs/dbraw/zinc/85/13/80/582851380.db2.gz XTPSKLJIXRHERZ-SNVBAGLBSA-N 0 3 246.314 0.857 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CC12CC(O)C2)N(C)C ZINC000888946671 582875174 /nfs/dbraw/zinc/87/51/74/582875174.db2.gz KRIXJTGARXMRBG-MBPTXSFVSA-N 0 3 226.320 0.356 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@H](CC)CO)C1 ZINC000856073262 588859529 /nfs/dbraw/zinc/85/95/29/588859529.db2.gz MOBQYSUWMHZMEK-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN CC(=O)OC[C@H](C)NCCNC(=O)C1CC1 ZINC000892441261 582887758 /nfs/dbraw/zinc/88/77/58/582887758.db2.gz MBAYFDCYCWQYMX-QMMMGPOBSA-N 0 3 228.292 0.054 20 0 BCADHN CCC[C@](C)(O)CNc1ccncc1CO ZINC000892503182 582900038 /nfs/dbraw/zinc/90/00/38/582900038.db2.gz YOQSDQPBOXVPIR-LBPRGKRZSA-N 0 3 224.304 0.959 20 0 BCADHN CCc1cc(CNc2ccncc2CO)[nH]n1 ZINC000892504907 582900691 /nfs/dbraw/zinc/90/06/91/582900691.db2.gz FFMJSHGRQAYOIB-UHFFFAOYSA-N 0 3 232.287 0.893 20 0 BCADHN CCc1cc(CNc2ccncc2CO)n[nH]1 ZINC000892504907 582900692 /nfs/dbraw/zinc/90/06/92/582900692.db2.gz FFMJSHGRQAYOIB-UHFFFAOYSA-N 0 3 232.287 0.893 20 0 BCADHN Cc1cc(N)nc(NCC[S@@](C)=O)n1 ZINC000892572952 582918504 /nfs/dbraw/zinc/91/85/04/582918504.db2.gz NUMOCZYKXLPFQA-CQSZACIVSA-N 0 3 214.294 0.158 20 0 BCADHN C[C@H](CN1CCOCC1)N1C[C@H]2C[C@@]2(CO)C1 ZINC000782609655 582921742 /nfs/dbraw/zinc/92/17/42/582921742.db2.gz PEIJZIPXCQZXEB-UPJWGTAASA-N 0 3 240.347 0.021 20 0 BCADHN N[C@@H]1CN(C(=O)Nc2cnsn2)CC[C@H]1F ZINC000850742925 582930158 /nfs/dbraw/zinc/93/01/58/582930158.db2.gz LOAKWHVOLKUVQI-PHDIDXHHSA-N 0 3 245.283 0.441 20 0 BCADHN CN1C[C@H](Nc2ccncc2CO)CCC1=O ZINC000892614882 582930544 /nfs/dbraw/zinc/93/05/44/582930544.db2.gz NEYZVHOSCRFPBX-SNVBAGLBSA-N 0 3 235.287 0.029 20 0 BCADHN CCn1cc(CNC[C@H](C2CC2)N(C)C)nn1 ZINC000892628326 582933450 /nfs/dbraw/zinc/93/34/50/582933450.db2.gz JWBISYIUQMDKHW-GFCCVEGCSA-N 0 3 237.351 0.728 20 0 BCADHN CC(=O)OC[C@H](C)NCCn1cccn1 ZINC000892658023 582942030 /nfs/dbraw/zinc/94/20/30/582942030.db2.gz CAGRVCZGHCBTPK-VIFPVBQESA-N 0 3 211.265 0.424 20 0 BCADHN CC(C)(F)c1nc(N2CCNCC2)no1 ZINC000204922422 582952328 /nfs/dbraw/zinc/95/23/28/582952328.db2.gz OZGQQCZCALHHAX-UHFFFAOYSA-N 0 3 214.244 0.684 20 0 BCADHN CC(=O)OC[C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C ZINC000892681254 582952590 /nfs/dbraw/zinc/95/25/90/582952590.db2.gz HCYFPPUEZLZWHC-BDAKNGLRSA-N 0 3 244.335 0.831 20 0 BCADHN CC(=O)OC[C@@H](C)N[C@@H](C)Cn1cncn1 ZINC000892686241 582955225 /nfs/dbraw/zinc/95/52/25/582955225.db2.gz IXMVUOSYRYPLBU-DTWKUNHWSA-N 0 3 226.280 0.208 20 0 BCADHN COCCN(C)CCNC(=O)NC/C=C/Cl ZINC000892686613 582955498 /nfs/dbraw/zinc/95/54/98/582955498.db2.gz BZRRLPOWZAJWEU-ONEGZZNKSA-N 0 3 249.742 0.616 20 0 BCADHN OCc1cnccc1N[C@H]1CCSC1 ZINC000892705657 582961713 /nfs/dbraw/zinc/96/17/13/582961713.db2.gz VSOACTIVPIBGHR-VIFPVBQESA-N 0 3 210.302 0.913 20 0 BCADHN OC[C@@H](NC[C@H](O)c1ccccn1)C1CC1 ZINC000851931983 582979802 /nfs/dbraw/zinc/97/98/02/582979802.db2.gz AAVMMSYGGMSFNV-NEPJUHHUSA-N 0 3 222.288 0.476 20 0 BCADHN COCc1nccc(N(C)CCN(C)C)n1 ZINC000892777820 582980999 /nfs/dbraw/zinc/98/09/99/582980999.db2.gz SOQSETIGWHBMGU-UHFFFAOYSA-N 0 3 224.308 0.621 20 0 BCADHN CN(C)CCN(C)c1cnc(N)c(Cl)n1 ZINC000892778564 582981098 /nfs/dbraw/zinc/98/10/98/582981098.db2.gz ZZVYLBHRDQBLGD-UHFFFAOYSA-N 0 3 229.715 0.710 20 0 BCADHN O=C1C[C@@H](Nc2ccncc2CO)CN1C1CC1 ZINC000892799933 582985785 /nfs/dbraw/zinc/98/57/85/582985785.db2.gz HLOSYFBAKFIUSW-SNVBAGLBSA-N 0 3 247.298 0.171 20 0 BCADHN COC(=O)[C@@H]1CCN(CCc2cn[nH]n2)[C@H]1C ZINC000851975353 582987810 /nfs/dbraw/zinc/98/78/10/582987810.db2.gz QGCWVOWAWHAIRS-WCBMZHEXSA-N 0 3 238.291 0.231 20 0 BCADHN C[C@H](CNC(=O)N1CC[C@@H]1CO)N(C)C1CC1 ZINC000892822826 582988886 /nfs/dbraw/zinc/98/88/86/582988886.db2.gz YQKJRFGQZGFETQ-MWLCHTKSSA-N 0 3 241.335 0.245 20 0 BCADHN O=C(NC[C@@H]1C=CCC1)N1CCCNCC1 ZINC000892824789 582989499 /nfs/dbraw/zinc/98/94/99/582989499.db2.gz OSVDMWSYSSSGPE-LLVKDONJSA-N 0 3 223.320 0.958 20 0 BCADHN C[C@H](CCCO)Nc1ccncc1CO ZINC000892884313 583005637 /nfs/dbraw/zinc/00/56/37/583005637.db2.gz XGJCCXSXQQPWRW-SECBINFHSA-N 0 3 210.277 0.569 20 0 BCADHN CCC(=O)N1CC[C@H](Nc2ccncc2CO)C1 ZINC000892928553 583011247 /nfs/dbraw/zinc/01/12/47/583011247.db2.gz IMEBYXNDUCOHAS-NSHDSACASA-N 0 3 249.314 0.419 20 0 BCADHN CC[C@@H]1CN(C(=O)/C=C\COC)C[C@H](C)N1 ZINC000856408724 588872074 /nfs/dbraw/zinc/87/20/74/588872074.db2.gz STCVBTGSMJLVIZ-TUISVCKWSA-N 0 3 226.320 0.788 20 0 BCADHN NC(=O)[N-]C(=O)OCCC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000852636648 583015654 /nfs/dbraw/zinc/01/56/54/583015654.db2.gz ZALBOHKADLVGOK-IUCAKERBSA-N 0 3 241.291 0.523 20 0 BCADHN NC(=O)[N-]C(=O)OCCC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000852636648 583015655 /nfs/dbraw/zinc/01/56/55/583015655.db2.gz ZALBOHKADLVGOK-IUCAKERBSA-N 0 3 241.291 0.523 20 0 BCADHN CC(C)(O)CN[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892950116 583017323 /nfs/dbraw/zinc/01/73/23/583017323.db2.gz AOQJQRRQMZPITI-VHSXEESVSA-N 0 3 247.310 0.981 20 0 BCADHN CCO[C@@H]1C[C@@H](NCC[S@@](=O)CC)[C@H]1OC ZINC000892950855 583017823 /nfs/dbraw/zinc/01/78/23/583017823.db2.gz HWPUJHJDFQCMHC-IIHVQRNFSA-N 0 3 249.376 0.537 20 0 BCADHN CC[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H](C)N1 ZINC000856409564 588872290 /nfs/dbraw/zinc/87/22/90/588872290.db2.gz ULODLXHBJYZIAW-CMPLNLGQSA-N 0 3 249.314 0.533 20 0 BCADHN NC[C@@H]1CC(C(=O)Nc2cccnc2)=NO1 ZINC000852856138 583021039 /nfs/dbraw/zinc/02/10/39/583021039.db2.gz MWAXAEXTLXNFBY-QMMMGPOBSA-N 0 3 220.232 0.124 20 0 BCADHN CCN1CCN(c2nc(C)cc(N)n2)C[C@@H]1C ZINC000892972370 583023195 /nfs/dbraw/zinc/02/31/95/583023195.db2.gz XSQOJCAEPLVSAH-JTQLQIEISA-N 0 3 235.335 0.898 20 0 BCADHN Cc1cn(C)nc1NC(=O)[C@@]1(F)CCNC1 ZINC000852924010 583023608 /nfs/dbraw/zinc/02/36/08/583023608.db2.gz LECJURIWZXQTTJ-SNVBAGLBSA-N 0 3 226.255 0.369 20 0 BCADHN COc1ccc(CNCCC[S@](C)=O)nc1 ZINC000893004656 583028738 /nfs/dbraw/zinc/02/87/38/583028738.db2.gz XPQKLGTXMABXGJ-INIZCTEOSA-N 0 3 242.344 0.948 20 0 BCADHN CCn1cc(CN[C@H]2CCc3n[nH]cc3C2)nn1 ZINC000893007871 583029231 /nfs/dbraw/zinc/02/92/31/583029231.db2.gz GGEIJTCAGMTWHS-JTQLQIEISA-N 0 3 246.318 0.668 20 0 BCADHN CC(=O)OC[C@@H](C)NCCC[S@](C)=O ZINC000893005208 583029667 /nfs/dbraw/zinc/02/96/67/583029667.db2.gz 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0 3 244.335 0.248 20 0 BCADHN COc1ccc(CNCCN2CCC2)nc1 ZINC000893180195 583065217 /nfs/dbraw/zinc/06/52/17/583065217.db2.gz CZQJZZATAFHBGI-UHFFFAOYSA-N 0 3 221.304 0.886 20 0 BCADHN OCc1cnccc1NCC(F)(F)CO ZINC000893214320 583072243 /nfs/dbraw/zinc/07/22/43/583072243.db2.gz SWLJSMLFQZKYCV-UHFFFAOYSA-N 0 3 218.203 0.035 20 0 BCADHN C[C@H](O)CNCc1cnn(C)c1C1CC1 ZINC000893224961 583074069 /nfs/dbraw/zinc/07/40/69/583074069.db2.gz GWCGDVMTMHFDIO-QMMMGPOBSA-N 0 3 209.293 0.768 20 0 BCADHN CC1(C)[C@H](Nc2ccncc2CO)C[C@@H]1O ZINC000893264520 583080510 /nfs/dbraw/zinc/08/05/10/583080510.db2.gz DYZYZNBGARFIBU-MNOVXSKESA-N 0 3 222.288 0.567 20 0 BCADHN OCCC1(CNc2ccncc2CO)CC1 ZINC000893282107 583084246 /nfs/dbraw/zinc/08/42/46/583084246.db2.gz IMJRXYADKSMEPS-UHFFFAOYSA-N 0 3 222.288 0.570 20 0 BCADHN CC[C@](C)(CO)NC1CC(S(C)(=O)=O)C1 ZINC000893323570 583100783 /nfs/dbraw/zinc/10/07/83/583100783.db2.gz GRNWCMNPAZECPH-UDNWOFFPSA-N 0 3 235.349 0.313 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)COC(C)=O 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SOUXIWFAHCWFBP-GFCCVEGCSA-N 0 3 237.303 0.941 20 0 BCADHN CC1(C)OC[C@H](CN2CC3(C2)CCOC3)O1 ZINC000894649924 583499917 /nfs/dbraw/zinc/49/99/17/583499917.db2.gz UHHMCNWSLZGOGJ-JTQLQIEISA-N 0 3 227.304 0.860 20 0 BCADHN CCN(CCOCCO)Cc1n[nH]c(C)c1C ZINC000894665939 583502507 /nfs/dbraw/zinc/50/25/07/583502507.db2.gz FOVFNMQHPWTRPB-UHFFFAOYSA-N 0 3 241.335 0.857 20 0 BCADHN CC(=O)N1CC[C@@H](Nc2nc(C)cc(N)n2)C1 ZINC000894677569 583504225 /nfs/dbraw/zinc/50/42/25/583504225.db2.gz XFASMFLRBGHTQM-SECBINFHSA-N 0 3 235.291 0.400 20 0 BCADHN COC[C@H](O)CNCc1c(C)ccnc1N ZINC000894684626 583507687 /nfs/dbraw/zinc/50/76/87/583507687.db2.gz NNKPRSSAFNUUDA-SECBINFHSA-N 0 3 225.292 0.069 20 0 BCADHN COC(=O)[C@@H]1CC[C@H](NCc2cncn2C)C1 ZINC000792196946 583512505 /nfs/dbraw/zinc/51/25/05/583512505.db2.gz NGVUEKSWTIHTJL-ZJUUUORDSA-N 0 3 237.303 0.851 20 0 BCADHN COC(=O)C1=CC[C@@H](Nc2ccncc2CO)C1 ZINC000894723531 583514669 /nfs/dbraw/zinc/51/46/69/583514669.db2.gz IDDHKNLZKBGVIF-LLVKDONJSA-N 0 3 248.282 0.670 20 0 BCADHN CCN1C[C@H](N[C@@H](C)COC(C)=O)CC1=O ZINC000894722520 583514869 /nfs/dbraw/zinc/51/48/69/583514869.db2.gz FKJXTEPYKOTOKU-WCBMZHEXSA-N 0 3 228.292 0.148 20 0 BCADHN Cc1ccnc(N)c1CN(C)CCN(C)C ZINC000894764047 583518064 /nfs/dbraw/zinc/51/80/64/583518064.db2.gz RGEAMCRMWGFVNA-UHFFFAOYSA-N 0 3 222.336 0.966 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@H](CC)C(=O)NC)[C@H]1OC ZINC000894789073 583519915 /nfs/dbraw/zinc/51/99/15/583519915.db2.gz DCNXWPDSSMGYKQ-GWOFURMSSA-N 0 3 244.335 0.293 20 0 BCADHN O[C@H]1C[C@@H](N[C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000894779413 583520049 /nfs/dbraw/zinc/52/00/49/583520049.db2.gz YUCYLBYYJCXYCM-VLEAKVRGSA-N 0 3 245.294 0.733 20 0 BCADHN CC(=O)OC[C@@H](C)NC[C@]1(C)CCC(=O)N1 ZINC000894804582 583522808 /nfs/dbraw/zinc/52/28/08/583522808.db2.gz OKJXEQPZDPJWDA-KCJUWKMLSA-N 0 3 228.292 0.196 20 0 BCADHN C[C@@H](CNC(=O)c1ncc[nH]1)N(C)C1CC1 ZINC000668095248 583526314 /nfs/dbraw/zinc/52/63/14/583526314.db2.gz DZLHGNWLMMKBRZ-QMMMGPOBSA-N 0 3 222.292 0.622 20 0 BCADHN COCC1(CNCc2c[nH]cn2)CCOCC1 ZINC000894830302 583527496 /nfs/dbraw/zinc/52/74/96/583527496.db2.gz IOILISNMADJZJO-UHFFFAOYSA-N 0 3 239.319 0.943 20 0 BCADHN O[C@H]1CCN(CCNc2nccc3nc[nH]c32)C1 ZINC000894833438 583528170 /nfs/dbraw/zinc/52/81/70/583528170.db2.gz UAJSOFZWPVIDJY-VIFPVBQESA-N 0 3 247.302 0.436 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC000894845173 583530614 /nfs/dbraw/zinc/53/06/14/583530614.db2.gz BKXYKSZBSREEJF-LPEHRKFASA-N 0 3 247.314 0.051 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@H](O)[C@H](F)C1 ZINC000894845157 583530970 /nfs/dbraw/zinc/53/09/70/583530970.db2.gz BKXYKSZBSREEJF-AEJSXWLSSA-N 0 3 247.314 0.051 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H]2COC[C@@H]2OC)[C@H]1OC ZINC000894867185 583538428 /nfs/dbraw/zinc/53/84/28/583538428.db2.gz LGARBQZEYKBTOW-PZWNZHSQSA-N 0 3 245.319 0.182 20 0 BCADHN CC[C@@H]1OCC[C@H]1NC1CC(S(C)(=O)=O)C1 ZINC000894867363 583538513 /nfs/dbraw/zinc/53/85/13/583538513.db2.gz LWLRIIUBZQUCDH-LXKPXOPUSA-N 0 3 247.360 0.719 20 0 BCADHN Cc1ncc(CNC[C@H]2COCO2)s1 ZINC000894871602 583539830 /nfs/dbraw/zinc/53/98/30/583539830.db2.gz TZTCHRXDLKMRRM-QMMMGPOBSA-N 0 3 214.290 0.914 20 0 BCADHN Cc1ncccc1CNC[C@@H]1COCO1 ZINC000894872541 583540268 /nfs/dbraw/zinc/54/02/68/583540268.db2.gz KOXLXDQTIZASBT-LLVKDONJSA-N 0 3 208.261 0.853 20 0 BCADHN CCn1cc(CNC[C@H]2COCO2)cn1 ZINC000894872446 583540349 /nfs/dbraw/zinc/54/03/49/583540349.db2.gz JEZQJPICRWZCBY-JTQLQIEISA-N 0 3 211.265 0.366 20 0 BCADHN Cc1cnn(C)c1CNC[C@@H]1COCO1 ZINC000894877896 583542280 /nfs/dbraw/zinc/54/22/80/583542280.db2.gz ABQLGLYTZQKZSC-SECBINFHSA-N 0 3 211.265 0.191 20 0 BCADHN OC[C@H]1C=CCN1C[C@H](O)c1ccccc1 ZINC000880487158 583544691 /nfs/dbraw/zinc/54/46/91/583544691.db2.gz XPKCHDMYUKRFSW-OLZOCXBDSA-N 0 3 219.284 0.953 20 0 BCADHN O=C1OCCN1CCCN1CC=C[C@H]1CO ZINC000880487698 583544902 /nfs/dbraw/zinc/54/49/02/583544902.db2.gz YPLNGXRKADHJHQ-JTQLQIEISA-N 0 3 226.276 0.061 20 0 BCADHN O=C1O[C@H](CN2CC=C[C@@H]2CO)CC12CC2 ZINC000880492820 583545140 /nfs/dbraw/zinc/54/51/40/583545140.db2.gz VSYTYILPKIODBR-ZJUUUORDSA-N 0 3 223.272 0.315 20 0 BCADHN CCOCC[C@H](O)CN1CC=C[C@@H]1CO ZINC000880491159 583545151 /nfs/dbraw/zinc/54/51/51/583545151.db2.gz HMZZHAMXNGTSFY-MNOVXSKESA-N 0 3 215.293 0.007 20 0 BCADHN CC(C)(O)CCN1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880522764 583546036 /nfs/dbraw/zinc/54/60/36/583546036.db2.gz AOPOTMKPUABJKU-QWRGUYRKSA-N 0 3 240.347 0.748 20 0 BCADHN Cn1ncc(C2CC2)c1CNC[C@H]1COCO1 ZINC000894884231 583546167 /nfs/dbraw/zinc/54/61/67/583546167.db2.gz FALWSXOKJZKNTH-JTQLQIEISA-N 0 3 237.303 0.760 20 0 BCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(C)(F)F ZINC000857765034 588910188 /nfs/dbraw/zinc/91/01/88/588910188.db2.gz INPAUBRAQHLHRR-NKWVEPMBSA-N 0 3 236.262 0.871 20 0 BCADHN COc1cc(Cn2cc([C@H](C)N)nn2)ccn1 ZINC000881302243 583550387 /nfs/dbraw/zinc/55/03/87/583550387.db2.gz PMVFFYPXGLHQQD-QMMMGPOBSA-N 0 3 233.275 0.750 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H]1COCC1(C)C ZINC000894932387 583556001 /nfs/dbraw/zinc/55/60/01/583556001.db2.gz GLSPXJQPQYQZHE-GMTAPVOTSA-N 0 3 229.320 0.805 20 0 BCADHN Cc1ccnc(N)c1CN[C@H]1C[C@@H](O)C1 ZINC000894942605 583557375 /nfs/dbraw/zinc/55/73/75/583557375.db2.gz YENXPDMZCMLKEB-DTORHVGOSA-N 0 3 207.277 0.585 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1CCCc2cn[nH]c21 ZINC000857845488 588912115 /nfs/dbraw/zinc/91/21/15/588912115.db2.gz KSCAPRHTDFOZSP-WPRPVWTQSA-N 0 3 236.319 0.901 20 0 BCADHN Cc1ccnc(N)c1CNC[C@@]1(C)CCC(=O)N1 ZINC000894968622 583560734 /nfs/dbraw/zinc/56/07/34/583560734.db2.gz WEUBBYDSBLWQLA-CYBMUJFWSA-N 0 3 248.330 0.731 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2ccc(OC)o2)C1 ZINC000894973012 583562523 /nfs/dbraw/zinc/56/25/23/583562523.db2.gz IBTGPIOEDRBIBR-VIFPVBQESA-N 0 3 238.287 0.856 20 0 BCADHN CC(C)(CCNCc1c[nH]cn1)S(C)(=O)=O ZINC000894991677 583563690 /nfs/dbraw/zinc/56/36/90/583563690.db2.gz JJLAWNFXNPEYAX-UHFFFAOYSA-N 0 3 245.348 0.713 20 0 BCADHN CC(C)(CCNCc1cnc[nH]1)S(C)(=O)=O ZINC000894991677 583563693 /nfs/dbraw/zinc/56/36/93/583563693.db2.gz JJLAWNFXNPEYAX-UHFFFAOYSA-N 0 3 245.348 0.713 20 0 BCADHN COC(=O)[C@H]1[C@@H](CN[C@H]2C[C@@](C)(O)C2)C1(F)F ZINC000895024063 583569891 /nfs/dbraw/zinc/56/98/91/583569891.db2.gz IICINRGHWHYZNC-DQUBFYRCSA-N 0 3 249.257 0.544 20 0 BCADHN Cc1ccnc(N)c1CN[C@H]1C[C@@](C)(O)C1 ZINC000895024239 583570258 /nfs/dbraw/zinc/57/02/58/583570258.db2.gz JTXPREQCDODFPC-WVSHTKLVSA-N 0 3 221.304 0.975 20 0 BCADHN CCCN1C[C@H](CNCc2c[nH]cn2)CC1=O ZINC000895031224 583571121 /nfs/dbraw/zinc/57/11/21/583571121.db2.gz NHAJMPKZRGPGJI-JTQLQIEISA-N 0 3 236.319 0.758 20 0 BCADHN CON(C)C(=O)CN[C@H]1CC[C@H]1C1CC1 ZINC000895046381 583571337 /nfs/dbraw/zinc/57/13/37/583571337.db2.gz JAEMMEUQWOVIIX-UWVGGRQHSA-N 0 3 212.293 0.784 20 0 BCADHN CC[C@@H](C[C@H](C)O)Nc1ccncc1CO ZINC000895045592 583571891 /nfs/dbraw/zinc/57/18/91/583571891.db2.gz ZDSIEDJHKYDDEW-ONGXEEELSA-N 0 3 224.304 0.957 20 0 BCADHN CON(C)C(=O)CNC1CC(n2cccn2)C1 ZINC000895046196 583572469 /nfs/dbraw/zinc/57/24/69/583572469.db2.gz GKFCYMJCZZBWMT-UHFFFAOYSA-N 0 3 238.291 0.196 20 0 BCADHN CCC[C@H]1CN(c2ncc(C=O)cn2)CCN1 ZINC000895058834 583575857 /nfs/dbraw/zinc/57/58/57/583575857.db2.gz OQTVZSXRUIOKRT-NSHDSACASA-N 0 3 234.303 0.867 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN[C@H]2CO[C@@H](C)C2)C1(F)F ZINC000895082226 583583313 /nfs/dbraw/zinc/58/33/13/583583313.db2.gz DHWJWAUUUKNZNM-KZVJFYERSA-N 0 3 249.257 0.808 20 0 BCADHN C[C@@H](N[C@H]1CCCc2cn[nH]c21)C(=O)N(C)C ZINC000857857545 588914174 /nfs/dbraw/zinc/91/41/74/588914174.db2.gz DTVNMMNGULTGQZ-SCZZXKLOSA-N 0 3 236.319 0.853 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1COC2(CCC2)C1 ZINC000895116228 583591815 /nfs/dbraw/zinc/59/18/15/583591815.db2.gz UYAFGSKKHUUOAR-SNVBAGLBSA-N 0 3 242.319 0.698 20 0 BCADHN CC(C)(CN[C@@H]1CCCc2c[nH]nc21)C(N)=O ZINC000857861730 588915281 /nfs/dbraw/zinc/91/52/81/588915281.db2.gz VALHENYMKBWXBN-SECBINFHSA-N 0 3 236.319 0.888 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1Cc1n[nH]c(C)c1C ZINC000895138671 583602616 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/nfs/dbraw/zinc/61/47/07/583614707.db2.gz JLYSDLCHLBQTEN-RQJHMYQMSA-N 0 3 210.281 0.970 20 0 BCADHN C[C@H](N[C@H]1CCOC[C@H]1C)C1N=NC(=O)N1C ZINC000895176139 583615639 /nfs/dbraw/zinc/61/56/39/583615639.db2.gz QELOQSVFWWLWOW-VGMNWLOBSA-N 0 3 240.307 0.596 20 0 BCADHN C[C@@H](N[C@H]1CCCOCC1)C1N=NC(=O)N1C ZINC000895176000 583615687 /nfs/dbraw/zinc/61/56/87/583615687.db2.gz LTNCWDFKOJRBES-BDAKNGLRSA-N 0 3 240.307 0.740 20 0 BCADHN C[C@H](N[C@@H]1CCCOCC1)C1N=NC(=O)N1C ZINC000895176001 583615766 /nfs/dbraw/zinc/61/57/66/583615766.db2.gz LTNCWDFKOJRBES-DTWKUNHWSA-N 0 3 240.307 0.740 20 0 BCADHN CCOC1CC(N[C@@H](C)c2n[nH]c(=O)n2C)C1 ZINC000895177360 583616196 /nfs/dbraw/zinc/61/61/96/583616196.db2.gz RDJMXPDUJSIPJL-UEJVZZJDSA-N 0 3 240.307 0.739 20 0 BCADHN COCC[C@H](C)N[C@@H](C)C1N=NC(=O)N1C ZINC000895178197 583616782 /nfs/dbraw/zinc/61/67/82/583616782.db2.gz UQHCDVBTBPJMPL-YUMQZZPRSA-N 0 3 228.296 0.596 20 0 BCADHN C[C@H](NCc1cc[nH]c(=O)c1)c1n[nH]c(=O)n1C ZINC000895194636 583622246 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BCADHN COCCN(CCN(C)C)C(=O)C[C@@H](C)OC ZINC000729438411 584013944 /nfs/dbraw/zinc/01/39/44/584013944.db2.gz KWSALIXUIQACHF-LLVKDONJSA-N 0 3 246.351 0.448 20 0 BCADHN CCCNC(=S)N(CCOC)CCN(C)C ZINC000729644782 584021057 /nfs/dbraw/zinc/02/10/57/584021057.db2.gz BFRXVCTUBMVKSE-UHFFFAOYSA-N 0 3 247.408 0.781 20 0 BCADHN COC(=O)N1CC(N[C@H](C)[C@@H]2CCCCO2)C1 ZINC000858382269 588950020 /nfs/dbraw/zinc/95/00/20/588950020.db2.gz VIMOWNITQJYACN-KOLCDFICSA-N 0 3 242.319 0.984 20 0 BCADHN OCc1cc(NC[C@H](O)C2CC2)ccn1 ZINC000858389641 588950423 /nfs/dbraw/zinc/95/04/23/588950423.db2.gz JSDSYLBEYVMELA-NSHDSACASA-N 0 3 208.261 0.757 20 0 BCADHN CCN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000148718526 584035163 /nfs/dbraw/zinc/03/51/63/584035163.db2.gz DOXZZRLZCFLIIS-UHFFFAOYSA-N 0 3 239.363 0.812 20 0 BCADHN COC(=O)c1cc(CN2C[C@H](O)[C@@H](C)C2)c[nH]1 ZINC000897683371 584040030 /nfs/dbraw/zinc/04/00/30/584040030.db2.gz CJINZDNQDVUAMI-KWQFWETISA-N 0 3 238.287 0.614 20 0 BCADHN CCN(CCC(=O)NC)Cc1cnc(N)s1 ZINC000897709936 584042093 /nfs/dbraw/zinc/04/20/93/584042093.db2.gz LYKCGBFVYZAAHI-UHFFFAOYSA-N 0 3 242.348 0.683 20 0 BCADHN CCc1cc(C(=O)N[C@@H](C)CN(C)C)no1 ZINC000897760422 584044496 /nfs/dbraw/zinc/04/44/96/584044496.db2.gz QOBXIHMAEJBDRA-QMMMGPOBSA-N 0 3 225.292 0.917 20 0 BCADHN CN(C)c1ncc(CN[C@H]2CC23CC(O)C3)cn1 ZINC000897851465 584054799 /nfs/dbraw/zinc/05/47/99/584054799.db2.gz ZRFMGLHFVFDPQU-AKJDGMEZSA-N 0 3 248.330 0.546 20 0 BCADHN CC[C@H](C)[C@@H](CN[C@]1(C)CCNC1=O)OC ZINC000897869122 584055181 /nfs/dbraw/zinc/05/51/81/584055181.db2.gz OUQZGKWTQLBYND-HOSYDEDBSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@]1(NCc2ccc(CO)cc2)CCNC1=O ZINC000897868294 584055459 /nfs/dbraw/zinc/05/54/59/584055459.db2.gz HSAVTNZDIRWLMI-ZDUSSCGKSA-N 0 3 234.299 0.547 20 0 BCADHN C[C@@]1(NCc2ccc3c[nH]nc3c2)CCNC1=O ZINC000897871287 584056243 /nfs/dbraw/zinc/05/62/43/584056243.db2.gz KSFYXFOZBOGNOU-CYBMUJFWSA-N 0 3 244.298 0.931 20 0 BCADHN COC[C@H](CCO)Nc1ccnc(CO)c1 ZINC000858420727 588952893 /nfs/dbraw/zinc/95/28/93/588952893.db2.gz QTLUTOSJOHWMRB-JTQLQIEISA-N 0 3 226.276 0.383 20 0 BCADHN NC(=O)Cn1cc(CN[C@@H]2C[C@@H]3CCC[C@@H]23)nn1 ZINC000897958229 584066566 /nfs/dbraw/zinc/06/65/66/584066566.db2.gz HZYSBPZZUSSIRL-JMJZKYOTSA-N 0 3 249.318 0.042 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC1CC(CCO)C1 ZINC000898011065 584071675 /nfs/dbraw/zinc/07/16/75/584071675.db2.gz NMFGHMFWJIRONT-WHXUTIOJSA-N 0 3 249.376 0.560 20 0 BCADHN CSC(C)(C)CNc1nc(N)nc(N)n1 ZINC000858431283 588954285 /nfs/dbraw/zinc/95/42/85/588954285.db2.gz TZAAHWNHMKHDCC-UHFFFAOYSA-N 0 3 228.325 0.590 20 0 BCADHN C[C@H]1CN(c2nc(N)nc(N)n2)C(C)(C)C1 ZINC000858432416 588954331 /nfs/dbraw/zinc/95/43/31/588954331.db2.gz SCZKNYBZINIQNN-ZCFIWIBFSA-N 0 3 222.296 0.661 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N(CCN(C)C)C1CC1 ZINC000898017083 584075475 /nfs/dbraw/zinc/07/54/75/584075475.db2.gz IQIJGYYIMXSXCT-GHMZBOCLSA-N 0 3 226.320 0.574 20 0 BCADHN COc1nn(C)cc1CN[C@@H](C)CCO ZINC000898022994 584076023 /nfs/dbraw/zinc/07/60/23/584076023.db2.gz PUWALANPEVGUDP-QMMMGPOBSA-N 0 3 213.281 0.289 20 0 BCADHN COc1nn(C)cc1CN[C@H]1CCOC[C@@H]1C ZINC000898025472 584076064 /nfs/dbraw/zinc/07/60/64/584076064.db2.gz HOTKKKNUHNUERX-ONGXEEELSA-N 0 3 239.319 0.943 20 0 BCADHN COc1nn(C)cc1CN[C@@H](C)[C@H]1CCOC1 ZINC000898025709 584077005 /nfs/dbraw/zinc/07/70/05/584077005.db2.gz MQPZDJSZXWVWJI-UWVGGRQHSA-N 0 3 239.319 0.943 20 0 BCADHN COc1nn(C)cc1CN[C@@H]1CN(C)C[C@@H]1C ZINC000898029390 584077552 /nfs/dbraw/zinc/07/75/52/584077552.db2.gz QBQHLYRPGSGUBV-GXSJLCMTSA-N 0 3 238.335 0.468 20 0 BCADHN Cn1nnnc1CCCNCc1ccccn1 ZINC000898042020 584079726 /nfs/dbraw/zinc/07/97/26/584079726.db2.gz GMFKEJRUYDWUGN-UHFFFAOYSA-N 0 3 232.291 0.328 20 0 BCADHN CC(=O)N1CCN(c2ccnc(CO)c2)[C@@H](C)C1 ZINC000858445998 588956026 /nfs/dbraw/zinc/95/60/26/588956026.db2.gz FNEJMDBGRJFNTA-JTQLQIEISA-N 0 3 249.314 0.631 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCC[C@H](O)C1CC1 ZINC000898203924 584090957 /nfs/dbraw/zinc/09/09/57/584090957.db2.gz LDUBKTCKKCGSGX-KOLCDFICSA-N 0 3 249.376 0.560 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCC[C@H](O)C1CC1 ZINC000898203926 584091268 /nfs/dbraw/zinc/09/12/68/584091268.db2.gz LDUBKTCKKCGSGX-ONGXEEELSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@@H](CNc1ccnc(CO)c1)c1nncn1C ZINC000858506268 588961304 /nfs/dbraw/zinc/96/13/04/588961304.db2.gz FCCSAHBUVGUMLO-VIFPVBQESA-N 0 3 247.302 0.918 20 0 BCADHN CNC(=O)[C@@H](Nc1ccnc(CO)c1)C(C)C ZINC000858451811 588956257 /nfs/dbraw/zinc/95/62/57/588956257.db2.gz CSIJJGPNDZIUHA-NSHDSACASA-N 0 3 237.303 0.756 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCC[C@H](O)C1CC1 ZINC000898198472 584098165 /nfs/dbraw/zinc/09/81/65/584098165.db2.gz RFVMVHNFKLWQPY-SCZZXKLOSA-N 0 3 235.349 0.170 20 0 BCADHN OCc1cc(N[C@H]2CCC[C@@H]2O)ccn1 ZINC000866104318 584113363 /nfs/dbraw/zinc/11/33/63/584113363.db2.gz ABMSYHSLPJRRKO-QWRGUYRKSA-N 0 3 208.261 0.899 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC000898382563 584114466 /nfs/dbraw/zinc/11/44/66/584114466.db2.gz ZMKPZGYMACLMQI-FBIMIBRVSA-N 0 3 247.360 0.434 20 0 BCADHN O=C1C[C@@H](NC/C=C\Cl)CCCN1 ZINC000898429328 584132539 /nfs/dbraw/zinc/13/25/39/584132539.db2.gz MUKWNECHIUQGDR-LTMVXPGCSA-N 0 3 202.685 0.997 20 0 BCADHN Cn1nccc1CCNc1ccnc(CO)c1 ZINC000858483331 588959736 /nfs/dbraw/zinc/95/97/36/588959736.db2.gz IDENANBNLBGXSY-UHFFFAOYSA-N 0 3 232.287 0.962 20 0 BCADHN CO[C@]1(CNc2ccnc(CO)c2)CCOC1 ZINC000858484604 588959763 /nfs/dbraw/zinc/95/97/63/588959763.db2.gz VZEDJHFGNDLWIU-LBPRGKRZSA-N 0 3 238.287 0.791 20 0 BCADHN Cn1nccc1CN[C@]12CC(=O)N[C@H]1CCCC2 ZINC000898467492 584139172 /nfs/dbraw/zinc/13/91/72/584139172.db2.gz MUIRSRNQRLFAJE-WCQYABFASA-N 0 3 248.330 0.711 20 0 BCADHN CC[C@@H]1C(=O)NCCCN1C[C@@H](C)COC ZINC000898546153 584141365 /nfs/dbraw/zinc/14/13/65/584141365.db2.gz RINAGDJBTRUHBQ-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@H]1C(=O)NCCCN1C[C@@H](C)COC ZINC000898558498 584141654 /nfs/dbraw/zinc/14/16/54/584141654.db2.gz RINAGDJBTRUHBQ-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](Nc1ccnc(CO)c1)c1ncn(C)n1 ZINC000858502436 588960421 /nfs/dbraw/zinc/96/04/21/588960421.db2.gz LCPMVXIJYDAYKP-QMMMGPOBSA-N 0 3 233.275 0.876 20 0 BCADHN CCN1CCCN(c2ccnc(CO)c2)CC1=O ZINC000858509504 588961674 /nfs/dbraw/zinc/96/16/74/588961674.db2.gz QBIHJWICGRBOBF-UHFFFAOYSA-N 0 3 249.314 0.633 20 0 BCADHN CCN(C)C(=O)[C@H](C)Nc1ccnc(CO)c1 ZINC000858514905 588961839 /nfs/dbraw/zinc/96/18/39/588961839.db2.gz YOPYQTFKYULLLZ-VIFPVBQESA-N 0 3 237.303 0.853 20 0 BCADHN C[C@@H](Nc1ccnc(CO)c1)c1ncnn1C ZINC000858512991 588961970 /nfs/dbraw/zinc/96/19/70/588961970.db2.gz GCWVFXYLXDHRCI-MRVPVSSYSA-N 0 3 233.275 0.876 20 0 BCADHN OCc1cc(N2C[C@H](O)CC(F)(F)C2)ccn1 ZINC000858511236 588962013 /nfs/dbraw/zinc/96/20/13/588962013.db2.gz WFESGYIUQCHDIA-SNVBAGLBSA-N 0 3 244.241 0.780 20 0 BCADHN C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2c[n-]nn2)C12CCC2 ZINC000898845448 584161170 /nfs/dbraw/zinc/16/11/70/584161170.db2.gz MSAKIDDGQOGDRV-NXEZZACHSA-N 0 3 249.318 0.407 20 0 BCADHN C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cnn[n-]2)C12CCC2 ZINC000898845448 584161171 /nfs/dbraw/zinc/16/11/71/584161171.db2.gz MSAKIDDGQOGDRV-NXEZZACHSA-N 0 3 249.318 0.407 20 0 BCADHN C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cn[n-]n2)C12CCC2 ZINC000898845448 584161173 /nfs/dbraw/zinc/16/11/73/584161173.db2.gz MSAKIDDGQOGDRV-NXEZZACHSA-N 0 3 249.318 0.407 20 0 BCADHN C[C@@H](CCO)N[C@H]1Cc2ccccc2NC1=O ZINC000858528983 588963017 /nfs/dbraw/zinc/96/30/17/588963017.db2.gz UUTUGIIMXXAPAI-CABZTGNLSA-N 0 3 234.299 0.910 20 0 BCADHN CC[C@@H](C)N[C@@H](CNC(=O)CO)c1ccco1 ZINC000899077583 584175526 /nfs/dbraw/zinc/17/55/26/584175526.db2.gz ASOBOQFUKZBFKQ-ZJUUUORDSA-N 0 3 240.303 0.817 20 0 BCADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1c1nnc[n-]1 ZINC000899109297 584176027 /nfs/dbraw/zinc/17/60/27/584176027.db2.gz VQDISOWUQHZSMM-VHSXEESVSA-N 0 3 249.318 0.562 20 0 BCADHN C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1c1nnc[n-]1 ZINC000899109297 584176028 /nfs/dbraw/zinc/17/60/28/584176028.db2.gz VQDISOWUQHZSMM-VHSXEESVSA-N 0 3 249.318 0.562 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CCC[C@H]1c1nc[nH]n1 ZINC000899109297 584176029 /nfs/dbraw/zinc/17/60/29/584176029.db2.gz VQDISOWUQHZSMM-VHSXEESVSA-N 0 3 249.318 0.562 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000899109297 584176030 /nfs/dbraw/zinc/17/60/30/584176030.db2.gz VQDISOWUQHZSMM-VHSXEESVSA-N 0 3 249.318 0.562 20 0 BCADHN C/C=C/CNC(=O)C1CN(C2CCOCC2)C1 ZINC000899143182 584177043 /nfs/dbraw/zinc/17/70/43/584177043.db2.gz VTHGZXGSGJNHKR-NSCUHMNNSA-N 0 3 238.331 0.790 20 0 BCADHN CNC(=O)N1CCNCCC12CCOCC2 ZINC000899244591 584186489 /nfs/dbraw/zinc/18/64/89/584186489.db2.gz DPZYLCFWFPTJJO-UHFFFAOYSA-N 0 3 227.308 0.170 20 0 BCADHN CCN(CC)CC(=O)N[C@]12C[C@H]1COC2 ZINC000899248589 584187672 /nfs/dbraw/zinc/18/76/72/584187672.db2.gz CYHUVTIMBGLHCP-ONGXEEELSA-N 0 3 212.293 0.233 20 0 BCADHN Cn1ncc(CNc2ccnc(CO)c2)n1 ZINC000858546087 588964380 /nfs/dbraw/zinc/96/43/80/588964380.db2.gz YUVRZHSYBQDMOH-UHFFFAOYSA-N 0 3 219.248 0.315 20 0 BCADHN Cn1cncc1CNc1ccnc(CO)c1 ZINC000858549145 588964674 /nfs/dbraw/zinc/96/46/74/588964674.db2.gz SWXHAXDDNJXLTE-UHFFFAOYSA-N 0 3 218.260 0.920 20 0 BCADHN Cn1ncc(-c2ccc3nnn(C)c3c2)c1CN ZINC000899323312 584196749 /nfs/dbraw/zinc/19/67/49/584196749.db2.gz GTQHYAAWHQLDME-UHFFFAOYSA-N 0 3 242.286 0.828 20 0 BCADHN CN(C)C(=O)c1cc(C=C2CNC2)ccn1 ZINC000899327769 584197671 /nfs/dbraw/zinc/19/76/71/584197671.db2.gz GCMFEEXAPZDVTR-UHFFFAOYSA-N 0 3 217.272 0.770 20 0 BCADHN Cc1[n-]n(C2CC[NH2+]CC2)c(=O)c1C1CC1 ZINC000899363021 584204915 /nfs/dbraw/zinc/20/49/15/584204915.db2.gz BDPWPZZFJVFNPO-LLVKDONJSA-N 0 3 221.304 0.983 20 0 BCADHN OCc1cc(N2CC[C@](O)(C(F)F)C2)ccn1 ZINC000858559723 588965497 /nfs/dbraw/zinc/96/54/97/588965497.db2.gz MLCWFPODZZQXFT-LLVKDONJSA-N 0 3 244.241 0.780 20 0 BCADHN CN1CC[C@@H]2CN(c3nccnc3F)C[C@@H]21 ZINC000858560216 588966416 /nfs/dbraw/zinc/96/64/16/588966416.db2.gz DSRUCFVLFFCNIW-BDAKNGLRSA-N 0 3 222.267 0.756 20 0 BCADHN C/C(=C/Cl)CS(=O)(=O)C(C)C(N)=O ZINC000899488861 584218380 /nfs/dbraw/zinc/21/83/80/584218380.db2.gz FJVFITYCEOZUKS-CWVDAHFDSA-N 0 3 225.697 0.418 20 0 BCADHN Cn1nccc1[C@H](CO)Nc1ccnc(CO)c1 ZINC000858566918 588966787 /nfs/dbraw/zinc/96/67/87/588966787.db2.gz LSQGHVLKNYHJFA-NSHDSACASA-N 0 3 248.286 0.453 20 0 BCADHN CCC[C@@H](O)[C@H](CO)Nc1ccnc(CO)c1 ZINC000858568787 588967268 /nfs/dbraw/zinc/96/72/68/588967268.db2.gz XETVQVYPJLJEMQ-NWDGAFQWSA-N 0 3 240.303 0.508 20 0 BCADHN CN(CCO)CCNC(=O)C1CCCCC1 ZINC000899726286 584229939 /nfs/dbraw/zinc/22/99/39/584229939.db2.gz JOFHZZLQSQSRPC-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN CN(CCO)CCNC(=O)c1cccs1 ZINC000899725562 584230276 /nfs/dbraw/zinc/23/02/76/584230276.db2.gz AGMPLTFBFPKSRP-UHFFFAOYSA-N 0 3 228.317 0.402 20 0 BCADHN CC(C)CCC(=O)NCCN(C)CCO ZINC000899730377 584230837 /nfs/dbraw/zinc/23/08/37/584230837.db2.gz XFPNQGNMKJOYQO-UHFFFAOYSA-N 0 3 216.325 0.463 20 0 BCADHN Cc1cccc(C(=O)NCCN(C)CCO)c1 ZINC000899728513 584231146 /nfs/dbraw/zinc/23/11/46/584231146.db2.gz PWTQCRYKUOYLLC-UHFFFAOYSA-N 0 3 236.315 0.649 20 0 BCADHN O=C1NCCC[C@H]1CNc1ccnc(CO)c1 ZINC000858569102 588967442 /nfs/dbraw/zinc/96/74/42/588967442.db2.gz ZHXASMMLGPYGFP-VIFPVBQESA-N 0 3 235.287 0.512 20 0 BCADHN CC[C@@H](SC)C(=O)NCCN(C)CCO ZINC000899736627 584231739 /nfs/dbraw/zinc/23/17/39/584231739.db2.gz NHDFKOLFLGITKX-SECBINFHSA-N 0 3 234.365 0.168 20 0 BCADHN Cc1cc(C)c(C(=O)NCCN(C)CCO)o1 ZINC000899734692 584232065 /nfs/dbraw/zinc/23/20/65/584232065.db2.gz PZKFZRFSNMBMMN-UHFFFAOYSA-N 0 3 240.303 0.550 20 0 BCADHN CC[C@@H](C)CC(=O)NCCN(C)CCO ZINC000899738312 584232249 /nfs/dbraw/zinc/23/22/49/584232249.db2.gz YOTJCWHIAWBFGH-SNVBAGLBSA-N 0 3 216.325 0.463 20 0 BCADHN CC[C@@H](C)[C@@H](C)C(=O)NCCN(C)CCO ZINC000899737386 584232913 /nfs/dbraw/zinc/23/29/13/584232913.db2.gz HQUMZUXUJKMCLI-GHMZBOCLSA-N 0 3 230.352 0.709 20 0 BCADHN CC(C)[C@@H]1C[C@H]1C(=O)NCCN(C)CCO ZINC000899737448 584233039 /nfs/dbraw/zinc/23/30/39/584233039.db2.gz JRTFXZVVDGSKHN-WDEREUQCSA-N 0 3 228.336 0.319 20 0 BCADHN CN(CCO)CCNC(=O)C1=CCCCC1 ZINC000899737288 584233045 /nfs/dbraw/zinc/23/30/45/584233045.db2.gz GHXMQDZVQPDNKF-UHFFFAOYSA-N 0 3 226.320 0.527 20 0 BCADHN CN(CCO)CCNC(=O)[C@H]1CCCCS1 ZINC000899737440 584233146 /nfs/dbraw/zinc/23/31/46/584233146.db2.gz JPKAQWTUZBXEHG-SNVBAGLBSA-N 0 3 246.376 0.312 20 0 BCADHN CN(CCO)CCNC(=O)C1CC2(CCC2)C1 ZINC000899740233 584233581 /nfs/dbraw/zinc/23/35/81/584233581.db2.gz HLQPQXHQMPBVGF-UHFFFAOYSA-N 0 3 240.347 0.607 20 0 BCADHN CC[C@H]1CCC[C@H]1C(=O)NCCN(C)CCO ZINC000899739497 584233680 /nfs/dbraw/zinc/23/36/80/584233680.db2.gz ZZTFDLDFRHRQBR-NWDGAFQWSA-N 0 3 242.363 0.853 20 0 BCADHN C[C@H](C(=O)NCCN(C)CCO)C(C)(F)F ZINC000899738698 584233863 /nfs/dbraw/zinc/23/38/63/584233863.db2.gz MDLUFHYCPBCIJG-MRVPVSSYSA-N 0 3 238.278 0.318 20 0 BCADHN CCC[C@H](OCC)C(=O)NCCN(C)CCO ZINC000899741043 584233887 /nfs/dbraw/zinc/23/38/87/584233887.db2.gz MJTLJVWYEKEHQU-NSHDSACASA-N 0 3 246.351 0.232 20 0 BCADHN CCC[C@@H](OCC)C(=O)NCCN(C)CCO ZINC000899741042 584234218 /nfs/dbraw/zinc/23/42/18/584234218.db2.gz MJTLJVWYEKEHQU-LLVKDONJSA-N 0 3 246.351 0.232 20 0 BCADHN CN(CCO)CCNC(=O)CCC(F)(F)F ZINC000899734364 584235502 /nfs/dbraw/zinc/23/55/02/584235502.db2.gz BUDRPYRSICPPRT-UHFFFAOYSA-N 0 3 242.241 0.369 20 0 BCADHN CCC1(C(=O)NCCN(C)CCO)CC1 ZINC000899734352 584235841 /nfs/dbraw/zinc/23/58/41/584235841.db2.gz BHTMFMAAPXEQQU-UHFFFAOYSA-N 0 3 214.309 0.217 20 0 BCADHN CCC(CC)CC(=O)NCCN(C)CCO ZINC000899734591 584235848 /nfs/dbraw/zinc/23/58/48/584235848.db2.gz LWMOFCJCWOBYOV-UHFFFAOYSA-N 0 3 230.352 0.853 20 0 BCADHN O[C@@H](CNCc1ccncc1)C1(O)CCC1 ZINC000899855310 584243486 /nfs/dbraw/zinc/24/34/86/584243486.db2.gz FJHIFRUXCCDLLR-NSHDSACASA-N 0 3 222.288 0.447 20 0 BCADHN O[C@@H](CNCc1cccnc1)C1(O)CCC1 ZINC000899856346 584243677 /nfs/dbraw/zinc/24/36/77/584243677.db2.gz SRWIMGGCNYLUNH-NSHDSACASA-N 0 3 222.288 0.447 20 0 BCADHN CCn1cc(CN2CC[C@H]3[C@H]2CCCN3C)nn1 ZINC000899889777 584247563 /nfs/dbraw/zinc/24/75/63/584247563.db2.gz OLNUMUVETLGXLB-QWHCGFSZSA-N 0 3 249.362 0.967 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1CCSC1 ZINC000858581426 588968823 /nfs/dbraw/zinc/96/88/23/588968823.db2.gz DYPFZFAFFXPRIH-YUMQZZPRSA-N 0 3 218.322 0.490 20 0 BCADHN CCC/C=C/[C@H](O)C(=O)NCCN(C)C ZINC000899919640 584252228 /nfs/dbraw/zinc/25/22/28/584252228.db2.gz DFQVUGOHVQDIFX-FGEFZZPRSA-N 0 3 214.309 0.381 20 0 BCADHN CC(C)CCNC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000899921017 584253211 /nfs/dbraw/zinc/25/32/11/584253211.db2.gz YBEANGQQYNRKCY-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CN(C)CCNC(=O)CC(F)(F)C(F)F ZINC000899920688 584253527 /nfs/dbraw/zinc/25/35/27/584253527.db2.gz SZOFJAITBOOYHG-UHFFFAOYSA-N 0 3 230.205 0.955 20 0 BCADHN CC(C)CNC(=O)C[C@]1(O)CCCN(C)C1 ZINC000899926237 584255473 /nfs/dbraw/zinc/25/54/73/584255473.db2.gz TWLWVJCKYJXGSI-GFCCVEGCSA-N 0 3 228.336 0.605 20 0 BCADHN CCNC(=O)c1ccnn1CCN(C)C ZINC000899921401 584256682 /nfs/dbraw/zinc/25/66/82/584256682.db2.gz CPZJUEFCTAUTJG-UHFFFAOYSA-N 0 3 210.281 0.194 20 0 BCADHN CCNC(=O)CCCN1CCN(C(C)C)CC1 ZINC000899922518 584257351 /nfs/dbraw/zinc/25/73/51/584257351.db2.gz TZVLQDUMPYIINU-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN COC[C@H](C)NC(=O)C12CCN(CC1)C2 ZINC000899934610 584257640 /nfs/dbraw/zinc/25/76/40/584257640.db2.gz BWMNOKQEXKIJSN-VIFPVBQESA-N 0 3 212.293 0.233 20 0 BCADHN COC(=O)CNC(=O)[C@H]1CC[C@@H]2CCCCN12 ZINC000899934999 584257673 /nfs/dbraw/zinc/25/76/73/584257673.db2.gz GJPCKOOVFGPIOG-VHSXEESVSA-N 0 3 240.303 0.293 20 0 BCADHN CC[C@H](COC)N[C@H](C)C(=O)N(C)OC ZINC000858587827 588969652 /nfs/dbraw/zinc/96/96/52/588969652.db2.gz WAUURNMEANLYCX-RKDXNWHRSA-N 0 3 218.297 0.409 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1CC[C@@H]1C ZINC000858587187 588969767 /nfs/dbraw/zinc/96/97/67/588969767.db2.gz JTZSXUNKPIAMGM-DJLDLDEBSA-N 0 3 200.282 0.783 20 0 BCADHN C[C@@H](NC(=O)C[C@@]1(O)CCCN(C)C1)C1CC1 ZINC000899982381 584262303 /nfs/dbraw/zinc/26/23/03/584262303.db2.gz JLGRJYGSODNUAV-MFKMUULPSA-N 0 3 240.347 0.748 20 0 BCADHN C/C=C/[C@@H](O)C(=O)NC1CCN(C)CC1 ZINC000900002390 584263052 /nfs/dbraw/zinc/26/30/52/584263052.db2.gz RMRXMBNRXWARGU-HMDXOVGESA-N 0 3 212.293 0.134 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)Cc1c[nH]cn1 ZINC000900010367 584265711 /nfs/dbraw/zinc/26/57/11/584265711.db2.gz XXYMRDGNJBPWEY-LLVKDONJSA-N 0 3 236.319 0.553 20 0 BCADHN O=C(/C=C\Cn1cncn1)NCCN1CCCC1 ZINC000900010769 584265789 /nfs/dbraw/zinc/26/57/89/584265789.db2.gz CCAOSPXSFQHKSW-ARJAWSKDSA-N 0 3 249.318 0.046 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)NCCN2CCCC2)C1 ZINC000900011629 584265991 /nfs/dbraw/zinc/26/59/91/584265991.db2.gz XHBZPYLXCZRDCU-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)NCCN1CCCC1 ZINC000900011645 584266150 /nfs/dbraw/zinc/26/61/50/584266150.db2.gz XXQTVHXSXXJOQQ-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN OCc1cc(N[C@@H](CO)CCF)ccn1 ZINC000858607017 588970492 /nfs/dbraw/zinc/97/04/92/588970492.db2.gz ULDNOWOQGLASOA-SECBINFHSA-N 0 3 214.240 0.706 20 0 BCADHN C[C@@H](CCO)N[C@@H]1CCN(C2CCC2)C1=O ZINC000858603247 588970563 /nfs/dbraw/zinc/97/05/63/588970563.db2.gz VGUJRAWEDHVCQQ-GXSJLCMTSA-N 0 3 226.320 0.500 20 0 BCADHN CCC[C@@H]1NC(=O)N(C[C@@H]2CCCN2C)C1=O ZINC000900125456 584275967 /nfs/dbraw/zinc/27/59/67/584275967.db2.gz UZLCSULLXDLHMX-UWVGGRQHSA-N 0 3 239.319 0.801 20 0 BCADHN C[C@H]1COCCN1C(=O)C12CCN(CC1)C2 ZINC000900161041 584281202 /nfs/dbraw/zinc/28/12/02/584281202.db2.gz QJMMCYRGJRFTBU-JTQLQIEISA-N 0 3 224.304 0.330 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N(C/C=C\Cl)C1=O ZINC000900182644 584283577 /nfs/dbraw/zinc/28/35/77/584283577.db2.gz CCDOWANNHOSBBP-AVALRIAPSA-N 0 3 231.683 0.221 20 0 BCADHN C/C=C\[C@H](O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000900187899 584284133 /nfs/dbraw/zinc/28/41/33/584284133.db2.gz KTBCCMYPJIGCQQ-FWHUQXJJSA-N 0 3 240.347 0.914 20 0 BCADHN CN(C)CCn1nccc1C(=O)Nc1cn[nH]c1 ZINC000900187752 584284386 /nfs/dbraw/zinc/28/43/86/584284386.db2.gz NBBOJNLLWSMWSG-UHFFFAOYSA-N 0 3 248.290 0.420 20 0 BCADHN C/C=C\[C@H](O)C(=O)NCCCN(C)CCOC ZINC000900192116 584284696 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0.129 20 0 BCADHN CNc1ccccc1CN[C@@H]1COC[C@H]1O ZINC000902583488 584639032 /nfs/dbraw/zinc/63/90/32/584639032.db2.gz AYIIDEDTDOUILD-VXGBXAGGSA-N 0 3 222.288 0.578 20 0 BCADHN CCc1noc(C(=O)N[C@@H](C)CN(C)C)n1 ZINC000902679038 584652461 /nfs/dbraw/zinc/65/24/61/584652461.db2.gz KJLAADQGXRPRLV-ZETCQYMHSA-N 0 3 226.280 0.312 20 0 BCADHN OC[C@H](O)CNCc1cc2cccnc2o1 ZINC000902727065 584661424 /nfs/dbraw/zinc/66/14/24/584661424.db2.gz KNXMBKSNBOFYSO-SECBINFHSA-N 0 3 222.244 0.271 20 0 BCADHN C[C@H]1CCCCN1CCNC(=O)OC1COC1 ZINC000902803348 584671216 /nfs/dbraw/zinc/67/12/16/584671216.db2.gz KSXATQAGFPSPQR-JTQLQIEISA-N 0 3 242.319 0.986 20 0 BCADHN C[C@@H](CNC(=O)CCO)N1CCCC[C@H]1C ZINC000902799471 584675295 /nfs/dbraw/zinc/67/52/95/584675295.db2.gz JYWIYOBQZQFGBI-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)OC1COC1 ZINC000902823793 584676233 /nfs/dbraw/zinc/67/62/33/584676233.db2.gz ZRRAKTPKXSRMET-MRVPVSSYSA-N 0 3 226.276 0.348 20 0 BCADHN C[C@H](CNC(=O)CCO)N1CCC(C)CC1 ZINC000902825872 584676458 /nfs/dbraw/zinc/67/64/58/584676458.db2.gz CWEAEPHSWXBOJF-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@H](CNC(=O)OC1COC1)N(C)C1CC1 ZINC000902842308 584680410 /nfs/dbraw/zinc/68/04/10/584680410.db2.gz NKAHVIXIEGWQJC-MRVPVSSYSA-N 0 3 228.292 0.594 20 0 BCADHN CC(C)N1CCCN(C(=O)OC2COC2)CC1 ZINC000902843167 584680634 /nfs/dbraw/zinc/68/06/34/584680634.db2.gz ZUGIMHKVHUEPJE-UHFFFAOYSA-N 0 3 242.319 0.938 20 0 BCADHN COCCCN(C)CCNC(=O)OC1COC1 ZINC000902876049 584687248 /nfs/dbraw/zinc/68/72/48/584687248.db2.gz LWNODXCUOSVQMS-UHFFFAOYSA-N 0 3 246.307 0.080 20 0 BCADHN C[C@@H](NC(=O)OC1COC1)C1=CCN(C)CC1 ZINC000902921100 584692793 /nfs/dbraw/zinc/69/27/93/584692793.db2.gz RJPOHCJBDXJULX-SECBINFHSA-N 0 3 240.303 0.762 20 0 BCADHN CC1(C)CCCN1CCNC(=O)OC1COC1 ZINC000902943676 584695745 /nfs/dbraw/zinc/69/57/45/584695745.db2.gz UQLHOOUCCQSSOV-UHFFFAOYSA-N 0 3 242.319 0.986 20 0 BCADHN C[C@H]1[C@@H](NC(=O)Nc2ccncn2)CCN1C ZINC000902929738 584698516 /nfs/dbraw/zinc/69/85/16/584698516.db2.gz YANGIPKTNPCCJJ-IUCAKERBSA-N 0 3 235.291 0.691 20 0 BCADHN O=C(CCO)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000902950644 584704193 /nfs/dbraw/zinc/70/41/93/584704193.db2.gz NPABTEPPSHPRMW-QWRGUYRKSA-N 0 3 226.320 0.502 20 0 BCADHN CCCN1CC[C@@H](NC(=O)OC2COC2)C1 ZINC000902955930 584705239 /nfs/dbraw/zinc/70/52/39/584705239.db2.gz XCAUVGSUPMZHMX-SECBINFHSA-N 0 3 228.292 0.596 20 0 BCADHN CCCN1CC[C@H](NC(=O)OC2COC2)C1 ZINC000902955931 584705343 /nfs/dbraw/zinc/70/53/43/584705343.db2.gz XCAUVGSUPMZHMX-VIFPVBQESA-N 0 3 228.292 0.596 20 0 BCADHN CN(C(=O)OC1COC1)[C@@H]1CN2CCC1CC2 ZINC000902960737 584706505 /nfs/dbraw/zinc/70/65/05/584706505.db2.gz CETDDGJHKZNJQR-LLVKDONJSA-N 0 3 240.303 0.548 20 0 BCADHN O=C1C[C@H](CN2CCC[C@@H](F)C2)CN1 ZINC000902993251 584711608 /nfs/dbraw/zinc/71/16/08/584711608.db2.gz RFLGDTCRVUIIBI-DTWKUNHWSA-N 0 3 200.257 0.556 20 0 BCADHN C[C@H](N[C@H]1CCc2nc[nH]c2C1)c1cn(C)nn1 ZINC000902993955 584711963 /nfs/dbraw/zinc/71/19/63/584711963.db2.gz ZIOHEUGMHWWCDC-IUCAKERBSA-N 0 3 246.318 0.746 20 0 BCADHN C[C@H](N[C@H]1CCc2[nH]cnc2C1)c1cn(C)nn1 ZINC000902993955 584711964 /nfs/dbraw/zinc/71/19/64/584711964.db2.gz ZIOHEUGMHWWCDC-IUCAKERBSA-N 0 3 246.318 0.746 20 0 BCADHN CCCNC(=O)CN[C@H]1CCO[C@]12CCOC2 ZINC000903057476 584722230 /nfs/dbraw/zinc/72/22/30/584722230.db2.gz HWSCLSRUWHPWJY-JQWIXIFHSA-N 0 3 242.319 0.050 20 0 BCADHN CCCSC[C@@H](C)N[C@@H]1COC[C@H]1O ZINC000903185550 584733721 /nfs/dbraw/zinc/73/37/21/584733721.db2.gz FCJDAKIRVCIRLO-OPRDCNLKSA-N 0 3 219.350 0.867 20 0 BCADHN CO[C@H]1CCC[C@H]1N[C@@H]1COC[C@H]1OC ZINC000903194839 584734266 /nfs/dbraw/zinc/73/42/66/584734266.db2.gz QPYYYFDLUSAEFP-CHWFTXMASA-N 0 3 215.293 0.557 20 0 BCADHN CO[C@H]1CCC[C@H]1NCCS(=O)(=O)C1CC1 ZINC000903189962 584736040 /nfs/dbraw/zinc/73/60/40/584736040.db2.gz MBAGVNCOADEDSA-MNOVXSKESA-N 0 3 247.360 0.721 20 0 BCADHN CO[C@@H]1CCC[C@@H]1N[C@@H](CO)c1ccnn1C ZINC000903205339 584736352 /nfs/dbraw/zinc/73/63/52/584736352.db2.gz HCFDOILDWGVDAO-JBLDHEPKSA-N 0 3 239.319 0.611 20 0 BCADHN CO[C@@H]1CCC[C@H]1N[C@@H](CO)c1ccnn1C ZINC000903205340 584736623 /nfs/dbraw/zinc/73/66/23/584736623.db2.gz HCFDOILDWGVDAO-JFGNBEQYSA-N 0 3 239.319 0.611 20 0 BCADHN NC(=O)CC1CC(N[C@H]2CCCn3nccc32)C1 ZINC000903253042 584739041 /nfs/dbraw/zinc/73/90/41/584739041.db2.gz HQKRSQOVGFHSME-ILDUYXDCSA-N 0 3 248.330 0.962 20 0 BCADHN C[C@@H](O)[C@H]1CCCCN1CCc1cn(C)nn1 ZINC000859132153 589007224 /nfs/dbraw/zinc/00/72/24/589007224.db2.gz RVBSPFJSQWKFNZ-ZYHUDNBSSA-N 0 3 238.335 0.593 20 0 BCADHN C[C@H](N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cnnn1C ZINC000903288888 584745727 /nfs/dbraw/zinc/74/57/27/584745727.db2.gz ZIUPTHLQHJFQLL-FZPVVVMTSA-N 0 3 234.303 0.642 20 0 BCADHN C[C@@H](NC[C@H]1CCN1C)c1ccn(C)n1 ZINC000903315979 584749694 /nfs/dbraw/zinc/74/96/94/584749694.db2.gz AURRUWCROGDKIH-NXEZZACHSA-N 0 3 208.309 0.775 20 0 BCADHN C[C@H](NCCCc1nnnn1C)c1ncc[nH]1 ZINC000903348361 584753489 /nfs/dbraw/zinc/75/34/89/584753489.db2.gz ATADREBKMBFPKR-QMMMGPOBSA-N 0 3 235.295 0.217 20 0 BCADHN C[C@H](NCCCc1nnnn1C)c1nccn1C ZINC000903349293 584753569 /nfs/dbraw/zinc/75/35/69/584753569.db2.gz SJIFHNKLMRGNQW-VIFPVBQESA-N 0 3 249.322 0.227 20 0 BCADHN C[C@@H](NCc1cn(C)cn1)C(C)(C)CO ZINC000903352540 584755505 /nfs/dbraw/zinc/75/55/05/584755505.db2.gz UWAKSIIIVLEVIM-SECBINFHSA-N 0 3 211.309 0.917 20 0 BCADHN CCN1CCC[C@H](N[C@H]2CN(C)C[C@H]2C)C1=O ZINC000903392611 584756218 /nfs/dbraw/zinc/75/62/18/584756218.db2.gz VHYVSPGBAPNVFH-WOPDTQHZSA-N 0 3 239.363 0.537 20 0 BCADHN [NH3+]C1(C[N-]S(=O)(=O)c2ccco2)CC1 ZINC000903524819 584781269 /nfs/dbraw/zinc/78/12/69/584781269.db2.gz ZTICPLZGTXQYCR-UHFFFAOYSA-N 0 3 216.262 0.049 20 0 BCADHN C[C@]1(C2CC2)COCCN1C[C@H]1CNCCO1 ZINC000903881147 584817616 /nfs/dbraw/zinc/81/76/16/584817616.db2.gz FKSHSFIVBGZAKR-CHWSQXEVSA-N 0 3 240.347 0.476 20 0 BCADHN CC[C@H]1C(=O)NCCCN1C[C@@H]1C[C@H](F)CN1 ZINC000903882842 584818182 /nfs/dbraw/zinc/81/81/82/584818182.db2.gz RBIPXJFLBNMTNV-DCAQKATOSA-N 0 3 243.326 0.287 20 0 BCADHN Nc1ccc(CN[C@]23C[C@H]2COC3)cn1 ZINC000903948998 584830422 /nfs/dbraw/zinc/83/04/22/584830422.db2.gz XQXPFSICLZVKOV-ONGXEEELSA-N 0 3 205.261 0.542 20 0 BCADHN CN1CC[C@@H](Cc2nc(-c3nccn3C)no2)C1 ZINC000904008156 584837654 /nfs/dbraw/zinc/83/76/54/584837654.db2.gz GGNPDNNRXLABHO-VIFPVBQESA-N 0 3 247.302 0.964 20 0 BCADHN CN1CC[C@H](Cc2nc(-c3cn[nH]c3)no2)C1 ZINC000904091749 584841793 /nfs/dbraw/zinc/84/17/93/584841793.db2.gz MHGJLEQECVWKTM-MRVPVSSYSA-N 0 3 233.275 0.954 20 0 BCADHN CN1CC[C@@H](Cc2nc(-c3c[nH]cn3)no2)C1 ZINC000904090952 584841954 /nfs/dbraw/zinc/84/19/54/584841954.db2.gz RGRXYMVECMKIQQ-QMMMGPOBSA-N 0 3 233.275 0.954 20 0 BCADHN CN1C[C@H]2CCN(C(=O)OCCF)[C@H]2C1 ZINC000859166482 589012792 /nfs/dbraw/zinc/01/27/92/589012792.db2.gz BXMRGRSWNRYBDK-BDAKNGLRSA-N 0 3 216.256 0.728 20 0 BCADHN CCN1C[C@@H](C)N(Cc2ccc(N)nn2)C[C@H]1C ZINC000904340406 584866572 /nfs/dbraw/zinc/86/65/72/584866572.db2.gz INZVRZNXTLDYFJ-GHMZBOCLSA-N 0 3 249.362 0.973 20 0 BCADHN C[C@@H](NCc1ccc(N)nn1)C1CCOCC1 ZINC000904359563 584871600 /nfs/dbraw/zinc/87/16/00/584871600.db2.gz BPMRGWTXZNCODY-SECBINFHSA-N 0 3 236.319 0.964 20 0 BCADHN c1cn(C2CC2)c(CNC[C@H]2CNCCO2)n1 ZINC000904371139 584873356 /nfs/dbraw/zinc/87/33/56/584873356.db2.gz KFCKMUJUXMNWLN-LLVKDONJSA-N 0 3 236.319 0.296 20 0 BCADHN C[C@H]1[C@H](CO)CCCN1Cc1ccc(N)nn1 ZINC000904372753 584873790 /nfs/dbraw/zinc/87/37/90/584873790.db2.gz IIOVIHSBDVVUQU-UWVGGRQHSA-N 0 3 236.319 0.652 20 0 BCADHN Nc1ccc(CN[C@@H]2CCO[C@H]2C2CC2)nn1 ZINC000904388167 584877804 /nfs/dbraw/zinc/87/78/04/584877804.db2.gz FJJNKHJWLZEXCK-PWSUYJOCSA-N 0 3 234.303 0.716 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1(C)COC1 ZINC000874834245 584883630 /nfs/dbraw/zinc/88/36/30/584883630.db2.gz QLHYGGQZRYRJKB-WDEREUQCSA-N 0 3 238.331 0.718 20 0 BCADHN C[NH2+]CCN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000876791176 584887143 /nfs/dbraw/zinc/88/71/43/584887143.db2.gz ACPYXINGWMNDEI-UHFFFAOYSA-N 0 3 227.239 0.218 20 0 BCADHN O=C1CCC(=O)N1CCN1CC[C@H]2C[C@H]21 ZINC000761091721 584909711 /nfs/dbraw/zinc/90/97/11/584909711.db2.gz VZWTUSLCSZPNLT-DTWKUNHWSA-N 0 3 208.261 0.230 20 0 BCADHN C[C@H]1COCCN(C(=S)NCCN(C)C)C1 ZINC000753905834 584910815 /nfs/dbraw/zinc/91/08/15/584910815.db2.gz IFEITNFEWNDGSU-SNVBAGLBSA-N 0 3 245.392 0.391 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)N)[C@@H](O)c1cccc(F)c1 ZINC000832120376 584910945 /nfs/dbraw/zinc/91/09/45/584910945.db2.gz CATMBVCPIONZBQ-VAOFZXAKSA-N 0 3 240.278 0.711 20 0 BCADHN C[C@@H](c1ccncc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000653826843 584911489 /nfs/dbraw/zinc/91/14/89/584911489.db2.gz MVIFTLAQZTZBLR-FPMFFAJLSA-N 0 3 247.342 0.893 20 0 BCADHN CN(C)CCNC(=S)NCc1cocn1 ZINC000730736791 584914619 /nfs/dbraw/zinc/91/46/19/584914619.db2.gz XDTXTECAHVKBAO-UHFFFAOYSA-N 0 3 228.321 0.200 20 0 BCADHN CCCNC(=S)N[C@@H]1CCN(CCOC)C1 ZINC000730734433 584914759 /nfs/dbraw/zinc/91/47/59/584914759.db2.gz VZMIZHAAYURPFA-SNVBAGLBSA-N 0 3 245.392 0.581 20 0 BCADHN CNC(=S)N[C@H]1CCN(CC2CC2)C1 ZINC000730957496 584920468 /nfs/dbraw/zinc/92/04/68/584920468.db2.gz NRBKYDYPXBJYTQ-VIFPVBQESA-N 0 3 213.350 0.565 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000731057774 584921647 /nfs/dbraw/zinc/92/16/47/584921647.db2.gz HYSJDTDIGWYYNU-NSHDSACASA-N 0 3 249.314 0.392 20 0 BCADHN CN(CCN1CCOC1=O)C[C@H]1CCCCO1 ZINC000731104141 584922353 /nfs/dbraw/zinc/92/23/53/584922353.db2.gz VDKZDPKTADMASL-LLVKDONJSA-N 0 3 242.319 0.940 20 0 BCADHN CCC[C@H](O)CNC(=S)NCCN(C)C ZINC000732725377 584940575 /nfs/dbraw/zinc/94/05/75/584940575.db2.gz ZSYSONZEZPPYDH-VIFPVBQESA-N 0 3 233.381 0.173 20 0 BCADHN CN(C)CCNC(=S)NC[C@@]1(C)CCOC1 ZINC000733082750 584943108 /nfs/dbraw/zinc/94/31/08/584943108.db2.gz FJILSLGVDLEICT-LLVKDONJSA-N 0 3 245.392 0.439 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)c1ccn(C)n1 ZINC000733163040 584943656 /nfs/dbraw/zinc/94/36/56/584943656.db2.gz ASXDPQGAKXFGSW-NSHDSACASA-N 0 3 238.335 0.736 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)c1ccn[nH]1 ZINC000733163700 584943849 /nfs/dbraw/zinc/94/38/49/584943849.db2.gz HBVNYPNGEYSLNZ-JTQLQIEISA-N 0 3 224.308 0.726 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccn[nH]1 ZINC000733163701 584944039 /nfs/dbraw/zinc/94/40/39/584944039.db2.gz HBVNYPNGEYSLNZ-SNVBAGLBSA-N 0 3 224.308 0.726 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CCN1CCCC1 ZINC000741754199 584948880 /nfs/dbraw/zinc/94/88/80/584948880.db2.gz KXJBRTPFTHWHRI-NSHDSACASA-N 0 3 225.336 0.293 20 0 BCADHN CNC(=O)C1(NCCn2cccn2)CCCC1 ZINC000734000152 584956070 /nfs/dbraw/zinc/95/60/70/584956070.db2.gz YZMWGMGFGVPAQZ-UHFFFAOYSA-N 0 3 236.319 0.532 20 0 BCADHN CN1CCC[C@@H](NC(=O)C2=COCC2)C1 ZINC000734126962 584958405 /nfs/dbraw/zinc/95/84/05/584958405.db2.gz JDCYANPQBXTNRM-SNVBAGLBSA-N 0 3 210.277 0.501 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)C2=COCC2)C1 ZINC000734127721 584958594 /nfs/dbraw/zinc/95/85/94/584958594.db2.gz ZXKBDZIISTYAKM-NSHDSACASA-N 0 3 224.304 0.843 20 0 BCADHN CNC(=S)N1CCN(C2CC2)C[C@H](C)C1 ZINC000840765123 584959608 /nfs/dbraw/zinc/95/96/08/584959608.db2.gz VJKJMIXAFFKTDG-VIFPVBQESA-N 0 3 227.377 0.907 20 0 BCADHN CC1(C)CN(CCN2CCOC2=O)CCCO1 ZINC000735310935 584975213 /nfs/dbraw/zinc/97/52/13/584975213.db2.gz HRMQVUJECVKSCQ-UHFFFAOYSA-N 0 3 242.319 0.940 20 0 BCADHN OCCCN(CCO)C[C@@H]1CC1(Cl)Cl ZINC000735562406 584979206 /nfs/dbraw/zinc/97/92/06/584979206.db2.gz KVZQDEGDHWJNBB-QMMMGPOBSA-N 0 3 242.146 0.857 20 0 BCADHN CC(C)([NH3+])CNc1ncccc1-c1nnn[n-]1 ZINC000735670950 584980592 /nfs/dbraw/zinc/98/05/92/584980592.db2.gz HSDKKKGQLMMFQN-UHFFFAOYSA-N 0 3 233.279 0.411 20 0 BCADHN CC(C)([NH3+])CNc1ncccc1-c1nn[n-]n1 ZINC000735670950 584980593 /nfs/dbraw/zinc/98/05/93/584980593.db2.gz HSDKKKGQLMMFQN-UHFFFAOYSA-N 0 3 233.279 0.411 20 0 BCADHN CC1CCC(N(C)CCS(N)(=O)=O)CC1 ZINC000735882933 584983591 /nfs/dbraw/zinc/98/35/91/584983591.db2.gz CIUFRFFRXGEVFW-UHFFFAOYSA-N 0 3 234.365 0.785 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H](O)c2ccccc2)CC1 ZINC000841455573 584990592 /nfs/dbraw/zinc/99/05/92/584990592.db2.gz UYMRYLLXMPZCDV-LBPRGKRZSA-N 0 3 248.326 0.930 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)c1cnc[nH]1 ZINC000736560129 585006169 /nfs/dbraw/zinc/00/61/69/585006169.db2.gz LRMVWGOHHGLMBT-JTQLQIEISA-N 0 3 224.308 0.726 20 0 BCADHN COC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000820182532 585011312 /nfs/dbraw/zinc/01/13/12/585011312.db2.gz MKTAYMAQGUAMQW-LLVKDONJSA-N 0 3 226.320 0.577 20 0 BCADHN CC[C@@H](CO)C(=O)NCCN1CCC(C)(C)C1 ZINC000890068202 585020732 /nfs/dbraw/zinc/02/07/32/585020732.db2.gz JAWMIHHDYNZXAA-NSHDSACASA-N 0 3 242.363 0.853 20 0 BCADHN CN(C[C@H]1C[C@]12CCOC2)[C@H]1CCN(C)C1=O ZINC000886017364 585035634 /nfs/dbraw/zinc/03/56/34/585035634.db2.gz YVGQAMWYAPPZOC-MDZLAQPJSA-N 0 3 238.331 0.576 20 0 BCADHN CO[C@@H]1CC[C@H]1N(C)C(=O)C1CCN(C)CC1 ZINC000889319577 585037293 /nfs/dbraw/zinc/03/72/93/585037293.db2.gz YZQOKZUTQKVRCN-VXGBXAGGSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C)[C@H]1CCCN(CN2CCCC2=O)C1 ZINC000738143312 585041520 /nfs/dbraw/zinc/04/15/20/585041520.db2.gz LJVGFZYNEFXRPZ-NSHDSACASA-N 0 3 225.336 0.592 20 0 BCADHN C[C@H]1CC(=O)N(CN2CCC[C@@H](N(C)C)C2)C1 ZINC000738142288 585041524 /nfs/dbraw/zinc/04/15/24/585041524.db2.gz BWGWNAQINGOTGO-NWDGAFQWSA-N 0 3 239.363 0.838 20 0 BCADHN O=C(NOCC1CC1)N[C@H]1CCN(C2CC2)C1 ZINC000838609937 585062091 /nfs/dbraw/zinc/06/20/91/585062091.db2.gz QMDVKYHJNJZNQX-JTQLQIEISA-N 0 3 239.319 0.864 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1C[C@@H](O)C1CC1 ZINC000838813966 585071173 /nfs/dbraw/zinc/07/11/73/585071173.db2.gz BNAHYCFTJPGZND-WDEREUQCSA-N 0 3 226.320 0.358 20 0 BCADHN O[C@@H](CN1CC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000838864334 585075847 /nfs/dbraw/zinc/07/58/47/585075847.db2.gz HEGUOCIELTYPAZ-DTWKUNHWSA-N 0 3 239.237 0.756 20 0 BCADHN CCn1ncc(CNCCN(C)C(C)C)n1 ZINC000838923112 585078537 /nfs/dbraw/zinc/07/85/37/585078537.db2.gz YKFVKYZTTRGMGW-UHFFFAOYSA-N 0 3 225.340 0.728 20 0 BCADHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@@H](O)C1CC1 ZINC000838962772 585082269 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CCNC(=S)NCCN1CCC[C@@H]1C ZINC000743015718 585133163 /nfs/dbraw/zinc/13/31/63/585133163.db2.gz BQKBKXQUJWVCMF-VIFPVBQESA-N 0 3 215.366 0.955 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2ncccn2)C1 ZINC000743338287 585135205 /nfs/dbraw/zinc/13/52/05/585135205.db2.gz DJJKHKDMZKGWPG-JTQLQIEISA-N 0 3 234.303 0.548 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ncccn1 ZINC000743415192 585136361 /nfs/dbraw/zinc/13/63/61/585136361.db2.gz QKLQKABLNADSEA-LLVKDONJSA-N 0 3 248.330 0.890 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)CN(C)C ZINC000743586720 585138002 /nfs/dbraw/zinc/13/80/02/585138002.db2.gz HDNSXZAQSMARSG-SNVBAGLBSA-N 0 3 215.341 0.250 20 0 BCADHN Cc1nonc1C(=O)N[C@@H](CN(C)C)C(C)C ZINC000743587870 585138094 /nfs/dbraw/zinc/13/80/94/585138094.db2.gz TUPVEUSCOKTVLQ-VIFPVBQESA-N 0 3 240.307 0.694 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2ncccn2)CCN1C ZINC000743638582 585138379 /nfs/dbraw/zinc/13/83/79/585138379.db2.gz RQICIKRHXRCNDV-VHSXEESVSA-N 0 3 234.303 0.689 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2nccn2C)CCN1C 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BCADHN CC(C)CONC(=O)N(C)CCN(C)C ZINC000750491091 585215790 /nfs/dbraw/zinc/21/57/90/585215790.db2.gz JZIQSJUSNNODHG-UHFFFAOYSA-N 0 3 217.313 0.777 20 0 BCADHN CCN(CCC(N)=O)Cc1cnn(C)c1 ZINC000750532540 585216971 /nfs/dbraw/zinc/21/69/71/585216971.db2.gz CMZLKSZVWDDOTE-UHFFFAOYSA-N 0 3 210.281 0.117 20 0 BCADHN CCOCCNC(=S)NCCN1CCCC1 ZINC000750980201 585223183 /nfs/dbraw/zinc/22/31/83/585223183.db2.gz HBLNDJPIPBNTTE-UHFFFAOYSA-N 0 3 245.392 0.583 20 0 BCADHN CO[C@@H]1CCN(CCOC[C@@H]2CCCO2)C1 ZINC000752088697 585241856 /nfs/dbraw/zinc/24/18/56/585241856.db2.gz NWFOKBRXAJNCPW-NEPJUHHUSA-N 0 3 229.320 0.903 20 0 BCADHN CCC/C=C\C(=O)NC[C@](C)(O)CN(C)C ZINC000752482295 585246777 /nfs/dbraw/zinc/24/67/77/585246777.db2.gz GUXHXRXZHZDELK-KRZKBDHCSA-N 0 3 228.336 0.772 20 0 BCADHN CCC/C=C/C(=O)NC[C@](C)(O)CN(C)C ZINC000752482294 585246888 /nfs/dbraw/zinc/24/68/88/585246888.db2.gz GUXHXRXZHZDELK-GUOLPTJISA-N 0 3 228.336 0.772 20 0 BCADHN CONC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000753825782 585270478 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GWNOXOLHDMYQDG-SNVBAGLBSA-N 0 3 232.349 0.397 20 0 BCADHN CNC(=S)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000757545611 585341110 /nfs/dbraw/zinc/34/11/10/585341110.db2.gz VIRSDOSKWRYILD-CBAPKCEASA-N 0 3 213.350 0.563 20 0 BCADHN Cc1cc(OCC(=O)NC[C@H](C)N(C)C)no1 ZINC000839785213 585341942 /nfs/dbraw/zinc/34/19/42/585341942.db2.gz CZYBMOZOCNTIKE-QMMMGPOBSA-N 0 3 241.291 0.428 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ncccn1 ZINC000758202607 585351673 /nfs/dbraw/zinc/35/16/73/585351673.db2.gz PWUKWYRRSPOHQL-MWLCHTKSSA-N 0 3 246.314 0.689 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)c1cn(C)cn1 ZINC000759113449 585364377 /nfs/dbraw/zinc/36/43/77/585364377.db2.gz DBOKYCZJKJDMBY-JTQLQIEISA-N 0 3 238.335 0.736 20 0 BCADHN CN1CCC[C@@H](N2CCN(CCF)CC2)C1 ZINC000759341718 585369051 /nfs/dbraw/zinc/36/90/51/585369051.db2.gz KTHQFWMCXRMOME-GFCCVEGCSA-N 0 3 229.343 0.668 20 0 BCADHN CCCN(C)CC(=O)N[C@@](C)(CO)C1CC1 ZINC000759534215 585374794 /nfs/dbraw/zinc/37/47/94/585374794.db2.gz JCUWRNADVPQYHT-LBPRGKRZSA-N 0 3 228.336 0.605 20 0 BCADHN COC(=O)/C(C)=C/CN(C)CC1(O)CCC1 ZINC000759876700 585382039 /nfs/dbraw/zinc/38/20/39/585382039.db2.gz NDAYFAUQAUDVAX-BJMVGYQFSA-N 0 3 227.304 0.953 20 0 BCADHN CN(CCN1CCCC1)Cc1nnc2n1CCC2 ZINC000760833462 585398837 /nfs/dbraw/zinc/39/88/37/585398837.db2.gz PITBJCQZKCKDFD-UHFFFAOYSA-N 0 3 249.362 0.752 20 0 BCADHN CNC(=O)C1(NCCN2CCCC2)CCCC1 ZINC000760857533 585399961 /nfs/dbraw/zinc/39/99/61/585399961.db2.gz QYLXHEMAKZZRQY-UHFFFAOYSA-N 0 3 239.363 0.731 20 0 BCADHN COCCOCCN1CCN(C)[C@@H](C)C1 ZINC000761075729 585405865 /nfs/dbraw/zinc/40/58/65/585405865.db2.gz LSWJJQKFULOOKZ-NSHDSACASA-N 0 3 216.325 0.285 20 0 BCADHN Cn1cc(N2CC[C@H](N3CC[C@@H]4C[C@@H]43)C2=O)cn1 ZINC000761088776 585407612 /nfs/dbraw/zinc/40/76/12/585407612.db2.gz DWYAILPWODFWQJ-USWWRNFRSA-N 0 3 246.314 0.620 20 0 BCADHN Cn1cc(N2CC[C@H](N3CC[C@H]4C[C@H]43)C2=O)cn1 ZINC000761088777 585407715 /nfs/dbraw/zinc/40/77/15/585407715.db2.gz DWYAILPWODFWQJ-ZMLRMANQSA-N 0 3 246.314 0.620 20 0 BCADHN O=c1ccccn1CCN1CC[C@H]2C[C@H]21 ZINC000761095223 585408663 /nfs/dbraw/zinc/40/86/63/585408663.db2.gz QPLGFHAJMLHUBM-WDEREUQCSA-N 0 3 204.273 0.943 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CC[C@H]1CCOC1=O ZINC000761104831 585409360 /nfs/dbraw/zinc/40/93/60/585409360.db2.gz ILUPQTISLYXVKX-KXUCPTDWSA-N 0 3 213.277 0.395 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1cn(C)cn1 ZINC000761129790 585410854 /nfs/dbraw/zinc/41/08/54/585410854.db2.gz LAEWEHLCVMIMAX-SNVBAGLBSA-N 0 3 236.319 0.634 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CC(C)(C)OC1=O ZINC000762041519 585424859 /nfs/dbraw/zinc/42/48/59/585424859.db2.gz TTXYCLBPVXGDIW-VIFPVBQESA-N 0 3 242.319 0.539 20 0 BCADHN CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1O ZINC000762209848 585429015 /nfs/dbraw/zinc/42/90/15/585429015.db2.gz YNMRKFPQZVTLQK-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](C1=CCN(C)CC1)N1C(=O)CNC1=O ZINC000762318893 585430669 /nfs/dbraw/zinc/43/06/69/585430669.db2.gz ZLAVXVGSBRXRRI-QMMMGPOBSA-N 0 3 223.276 0.189 20 0 BCADHN CCC(=CC(=O)NC[C@]1(O)CCN(C)C1)CC ZINC000762716211 585436096 /nfs/dbraw/zinc/43/60/96/585436096.db2.gz JAPSVFNQTOPQFP-CYBMUJFWSA-N 0 3 240.347 0.916 20 0 BCADHN CN(C)C1(C(=O)NCCC2CC(O)C2)CCC1 ZINC000762720327 585436205 /nfs/dbraw/zinc/43/62/05/585436205.db2.gz QHODVKUZFRQAMU-UHFFFAOYSA-N 0 3 240.347 0.748 20 0 BCADHN CCC/C(C)=C\C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000762723307 585436365 /nfs/dbraw/zinc/43/63/65/585436365.db2.gz SGTLIKYTASESMB-ZWXCPPHNSA-N 0 3 240.347 0.916 20 0 BCADHN COC(=O)CCCNC(=O)C1(N(C)C)CCC1 ZINC000762963799 585440046 /nfs/dbraw/zinc/44/00/46/585440046.db2.gz DQRBPKGYVBXGEJ-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC000762971257 585440296 /nfs/dbraw/zinc/44/02/96/585440296.db2.gz GJHAZBGOXPCLJK-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN Cc1cc(NC(=O)CN[C@H](CO)C2CC2)no1 ZINC000763068272 585442743 /nfs/dbraw/zinc/44/27/43/585442743.db2.gz NAAKJCWBZYCWCR-SECBINFHSA-N 0 3 239.275 0.282 20 0 BCADHN O=C(CN[C@H](CCO)C1CC1)N1CCCCC1 ZINC000763063485 585442848 /nfs/dbraw/zinc/44/28/48/585442848.db2.gz GJTKEBUZGNHOTJ-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN CC[C@H](O)CCNC(=S)NCCN(C)C ZINC000763154487 585443803 /nfs/dbraw/zinc/44/38/03/585443803.db2.gz FRMRIFAYRSLVKK-VIFPVBQESA-N 0 3 233.381 0.173 20 0 BCADHN CCCN(CCO)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763659510 585451591 /nfs/dbraw/zinc/45/15/91/585451591.db2.gz HMVYYJRPQZLOQL-JTQLQIEISA-N 0 3 227.304 0.786 20 0 BCADHN C[C@@]1(O)CCN(C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000763698639 585452833 /nfs/dbraw/zinc/45/28/33/585452833.db2.gz QWTAMBGFQHCKIM-GXSJLCMTSA-N 0 3 225.288 0.539 20 0 BCADHN C[C@@]1(O)CCCN(C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000763743132 585453665 /nfs/dbraw/zinc/45/36/65/585453665.db2.gz YPVDKAKPSLVMII-ZYHUDNBSSA-N 0 3 239.315 0.929 20 0 BCADHN CN(CC[C@H]1CCOC1=O)[C@@]1(CO)CCOC1 ZINC000763882564 585456063 /nfs/dbraw/zinc/45/60/63/585456063.db2.gz VGYLTGFAMOHPCT-CMPLNLGQSA-N 0 3 243.303 0.023 20 0 BCADHN CCN(CC(=O)NC)[C@@H](C)CCOC ZINC000764201725 585461197 /nfs/dbraw/zinc/46/11/97/585461197.db2.gz PQYRDVNWTQJCSM-VIFPVBQESA-N 0 3 202.298 0.479 20 0 BCADHN CCN(CC(=O)N1CCN(C)[C@H](C)C1)C1CC1 ZINC000764402408 585465040 /nfs/dbraw/zinc/46/50/40/585465040.db2.gz LZLXOIVFEYFAGW-LLVKDONJSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@H](CNC(=O)[C@@H](O)C(C)(C)C)N(C)C ZINC000764815685 585474648 /nfs/dbraw/zinc/47/46/48/585474648.db2.gz ZIVOISIQLNVJGR-RKDXNWHRSA-N 0 3 216.325 0.460 20 0 BCADHN CN(C(=O)[C@@H](O)C(C)(C)C)[C@H]1CCCN(C)C1 ZINC000765103104 585481340 /nfs/dbraw/zinc/48/13/40/585481340.db2.gz RSZZULXXBWWRDK-WDEREUQCSA-N 0 3 242.363 0.946 20 0 BCADHN CC1(C)CN(C(=O)[C@@H](O)c2cccnc2)CCN1 ZINC000765133394 585481843 /nfs/dbraw/zinc/48/18/43/585481843.db2.gz DQJWRYJUZRJEQB-NSHDSACASA-N 0 3 249.314 0.325 20 0 BCADHN C[C@H]1CCCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000765960369 585494481 /nfs/dbraw/zinc/49/44/81/585494481.db2.gz NTVMTTHAERQRKK-DTWKUNHWSA-N 0 3 210.277 0.524 20 0 BCADHN COC[C@H]1CCCN([C@H]2CCC(=O)NC2=O)C1 ZINC000765966904 585494847 /nfs/dbraw/zinc/49/48/47/585494847.db2.gz VZWBDZLWSPFWBY-UWVGGRQHSA-N 0 3 240.303 0.150 20 0 BCADHN COC[C@H]1CCCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000765966906 585494922 /nfs/dbraw/zinc/49/49/22/585494922.db2.gz VZWBDZLWSPFWBY-VHSXEESVSA-N 0 3 240.303 0.150 20 0 BCADHN C[C@@H]1CO[C@H](CO)CN1C[Si](C)(C)C ZINC000766094950 585497579 /nfs/dbraw/zinc/49/75/79/585497579.db2.gz PGCMQMTZRBOHEJ-ZJUUUORDSA-N 0 3 217.385 0.945 20 0 BCADHN O=C1NCCC[C@@H]1N1CCC(n2cccn2)CC1 ZINC000766884653 585509126 /nfs/dbraw/zinc/50/91/26/585509126.db2.gz CYGGVSYHZXWHHC-LBPRGKRZSA-N 0 3 248.330 0.799 20 0 BCADHN NC(=O)[C@@H]1CCCN1C1CCN(CCF)CC1 ZINC000767464034 585520856 /nfs/dbraw/zinc/52/08/56/585520856.db2.gz ZTRZXGPJRVRRIU-NSHDSACASA-N 0 3 243.326 0.370 20 0 BCADHN C[C@@H](CNC(=O)N(C)CCO)N1CCCCC1 ZINC000768046488 585529989 /nfs/dbraw/zinc/52/99/89/585529989.db2.gz LPTOPTRIQKBKEL-NSHDSACASA-N 0 3 243.351 0.495 20 0 BCADHN COCCN1CCC(NC(=O)C(C)(C)F)CC1 ZINC000768338587 585536152 /nfs/dbraw/zinc/53/61/52/585536152.db2.gz NEOJIDCVMFECGG-UHFFFAOYSA-N 0 3 246.326 0.962 20 0 BCADHN CCN(CC)CCOC(=O)c1nccnc1N ZINC000768509956 585539279 /nfs/dbraw/zinc/53/92/79/585539279.db2.gz OBOMAVLCROFMEQ-UHFFFAOYSA-N 0 3 238.291 0.557 20 0 BCADHN C[C@@H]1CN(Cc2ccc3c(c2)nnn3C)C[C@H]1O ZINC000768767932 585542969 /nfs/dbraw/zinc/54/29/69/585542969.db2.gz OCWCBQBRIQAAEX-NOZJJQNGSA-N 0 3 246.314 0.781 20 0 BCADHN CCN(CCO)CCNC(=S)NC(C)(C)C ZINC000768787999 585543515 /nfs/dbraw/zinc/54/35/15/585543515.db2.gz IZZJMKRAMYYIJP-UHFFFAOYSA-N 0 3 247.408 0.563 20 0 BCADHN CCN(CCO)CCNC(=S)NCC(C)C ZINC000768783066 585543573 /nfs/dbraw/zinc/54/35/73/585543573.db2.gz AZKAKGISRKZFRI-UHFFFAOYSA-N 0 3 247.408 0.421 20 0 BCADHN CCCCNC(=S)NCCN(CC)CCO ZINC000768790212 585543763 /nfs/dbraw/zinc/54/37/63/585543763.db2.gz XHALQCOHJDFYGN-UHFFFAOYSA-N 0 3 247.408 0.565 20 0 BCADHN CC[C@@H](C)N(OC)C(=O)C(C)S(C)(=O)=O ZINC000768895207 585545537 /nfs/dbraw/zinc/54/55/37/585545537.db2.gz IWXPQEYFKBEYDJ-SFYZADRCSA-N 0 3 237.321 0.608 20 0 BCADHN CC(C)(F)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000769011145 585547348 /nfs/dbraw/zinc/54/73/48/585547348.db2.gz GMXVYMOOJKZZRU-SNVBAGLBSA-N 0 3 246.326 0.698 20 0 BCADHN C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1O ZINC000769129310 585549466 /nfs/dbraw/zinc/54/94/66/585549466.db2.gz RRNAJFCNJGIZEQ-UWVGGRQHSA-N 0 3 226.320 0.310 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H]1COC(C)(C)O1 ZINC000769213885 585551317 /nfs/dbraw/zinc/55/13/17/585551317.db2.gz DNHFTPVGOXHYSD-SNVBAGLBSA-N 0 3 244.335 0.596 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1COC(C)(C)O1)N(C)C ZINC000769277973 585552384 /nfs/dbraw/zinc/55/23/84/585552384.db2.gz WZAHTBSFJOYGKT-VHSXEESVSA-N 0 3 244.335 0.594 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000769371239 585554341 /nfs/dbraw/zinc/55/43/41/585554341.db2.gz QTXUIHMXPKLEBD-USZNOCQGSA-N 0 3 238.331 0.622 20 0 BCADHN COC[C@H](C)NC(=O)NCCN1CCC[C@@H]1C ZINC000769463767 585557630 /nfs/dbraw/zinc/55/76/30/585557630.db2.gz CJSOXTSTHXTCGY-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN COC(=O)[C@H]1CN(Cc2c[nH]nc2C)C[C@@H]1C ZINC000769515018 585558420 /nfs/dbraw/zinc/55/84/20/585558420.db2.gz CSMQYZHDDZXCPP-KWQFWETISA-N 0 3 237.303 0.959 20 0 BCADHN CCC/C=C\C(=O)NCCN(CC)CCO ZINC000769638234 585560926 /nfs/dbraw/zinc/56/09/26/585560926.db2.gz CSDRFWRDYAVLNN-SREVYHEPSA-N 0 3 228.336 0.773 20 0 BCADHN CCN(CCO)CCNC(=O)/C=C\SC ZINC000769636085 585560965 /nfs/dbraw/zinc/56/09/65/585560965.db2.gz UFRSMRSDVYZPPL-WTKPLQERSA-N 0 3 232.349 0.294 20 0 BCADHN CCN(CC)CCOC(=O)C(C)(C)C(N)=O ZINC000769699693 585562237 /nfs/dbraw/zinc/56/22/37/585562237.db2.gz INZDAIGTYPUGOO-UHFFFAOYSA-N 0 3 230.308 0.383 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)CC2COC2)CN1C1CC1 ZINC000769712587 585562456 /nfs/dbraw/zinc/56/24/56/585562456.db2.gz NSCFMSYJTOQVAA-MWLCHTKSSA-N 0 3 238.331 0.764 20 0 BCADHN CCOCC[C@@H](O)CNC1(C(N)=O)CCCC1 ZINC000769754008 585562828 /nfs/dbraw/zinc/56/28/28/585562828.db2.gz ZIKXYMJHTYKHRU-SNVBAGLBSA-N 0 3 244.335 0.162 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCc1ncccn1 ZINC000770059447 585570436 /nfs/dbraw/zinc/57/04/36/585570436.db2.gz DCERNFHITYNUKH-NSHDSACASA-N 0 3 248.330 0.967 20 0 BCADHN CN(CCOc1ccccc1)C[C@H](O)CO ZINC000770263981 585572099 /nfs/dbraw/zinc/57/20/99/585572099.db2.gz CWCQPADRMMGNCA-NSHDSACASA-N 0 3 225.288 0.350 20 0 BCADHN CN(CCCOc1ccccc1)C[C@H](O)CO ZINC000770264563 585572405 /nfs/dbraw/zinc/57/24/05/585572405.db2.gz DHWRCAJAIQIHFY-LBPRGKRZSA-N 0 3 239.315 0.741 20 0 BCADHN CN(CCOc1ccccc1F)C[C@H](O)CO ZINC000770265873 585572574 /nfs/dbraw/zinc/57/25/74/585572574.db2.gz SGCKIIWXBVJOMX-JTQLQIEISA-N 0 3 243.278 0.490 20 0 BCADHN COC[C@H](O)C(=O)OCCN1CCCCC1 ZINC000770408672 585573916 /nfs/dbraw/zinc/57/39/16/585573916.db2.gz XJRIRSWTXRPAIK-JTQLQIEISA-N 0 3 231.292 0.023 20 0 BCADHN Cc1nonc1CN(C)CCN(C)C1CC1 ZINC000770685942 585579910 /nfs/dbraw/zinc/57/99/10/585579910.db2.gz RSEWHUQYBPLDKH-UHFFFAOYSA-N 0 3 224.308 0.904 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](CO)C1CC1)N(C)C ZINC000771043149 585588491 /nfs/dbraw/zinc/58/84/91/585588491.db2.gz GSADKPXBMUDKOA-UWVGGRQHSA-N 0 3 214.309 0.214 20 0 BCADHN CN(C)CCNC(=S)NCC(C)(C)CO ZINC000771121489 585590976 /nfs/dbraw/zinc/59/09/76/585590976.db2.gz OIINUMDCRTWNMM-UHFFFAOYSA-N 0 3 233.381 0.031 20 0 BCADHN CN(C)c1ccnc(NCCc2nc[nH]n2)n1 ZINC000771172005 585591470 /nfs/dbraw/zinc/59/14/70/585591470.db2.gz LFBUZNCBHFXKOG-UHFFFAOYSA-N 0 3 233.279 0.315 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H](O)C(C)(C)C ZINC000805423171 585591761 /nfs/dbraw/zinc/59/17/61/585591761.db2.gz OVCOZJUUROUAIT-IUCAKERBSA-N 0 3 216.325 0.460 20 0 BCADHN CC[C@@H](CO)C(=O)N[C@@H](C)CN(C)C ZINC000805427277 585592371 /nfs/dbraw/zinc/59/23/71/585592371.db2.gz UAVWAFRUVKTQEJ-IUCAKERBSA-N 0 3 202.298 0.071 20 0 BCADHN C[C@@H]1CCN(CCS(N)(=O)=O)CC12CCC2 ZINC000771465322 585594681 /nfs/dbraw/zinc/59/46/81/585594681.db2.gz SRBGSWBSAAQSSZ-SNVBAGLBSA-N 0 3 246.376 0.787 20 0 BCADHN CCC1(C(=O)N(C)CCN(C)C2CC2)COC1 ZINC000771570250 585596531 /nfs/dbraw/zinc/59/65/31/585596531.db2.gz AYCKKVAPPWOKGC-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN C/C=C\C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000771583900 585597371 /nfs/dbraw/zinc/59/73/71/585597371.db2.gz WHNSDUGKXRYITF-ZZKXABKFSA-N 0 3 238.331 0.932 20 0 BCADHN C[C@H]1CCCN(CCNC(=O)CC2COC2)C1 ZINC000771610891 585597860 /nfs/dbraw/zinc/59/78/60/585597860.db2.gz NCZHVIMWDXOMEM-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN COC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000771658408 585598723 /nfs/dbraw/zinc/59/87/23/585598723.db2.gz SNHOCFNGWDSSEF-JTQLQIEISA-N 0 3 229.324 0.368 20 0 BCADHN CC(C)N1CCC[C@@H](N[C@@H](CO)C2CC2)C1=O ZINC000771803031 585600254 /nfs/dbraw/zinc/60/02/54/585600254.db2.gz NFFYMXYDFFDSDR-NEPJUHHUSA-N 0 3 240.347 0.746 20 0 BCADHN CNC(=O)[C@@H](Nc1cc(C)nc(N)n1)C(C)C ZINC000771926127 585604809 /nfs/dbraw/zinc/60/48/09/585604809.db2.gz BIYIPZVVCAJGJN-VIFPVBQESA-N 0 3 237.307 0.550 20 0 BCADHN Cc1cc(COC(=O)C2CCN(C)C2=O)on1 ZINC000772523885 585617418 /nfs/dbraw/zinc/61/74/18/585617418.db2.gz XFEQPKAGSZWJLE-SECBINFHSA-N 0 3 238.243 0.505 20 0 BCADHN C[C@@H]1COCCCN1C(=S)NCCN(C)C ZINC000772800041 585624506 /nfs/dbraw/zinc/62/45/06/585624506.db2.gz GVZXVCDZXNCRPY-SNVBAGLBSA-N 0 3 245.392 0.533 20 0 BCADHN CN(C)C1(C(=O)NCCCCC(N)=O)CCC1 ZINC000772841397 585625310 /nfs/dbraw/zinc/62/53/10/585625310.db2.gz SEQUXLYPGDVJFQ-UHFFFAOYSA-N 0 3 241.335 0.243 20 0 BCADHN CN(C)CCN(C(=O)c1cccc[n+]1[O-])C1CC1 ZINC000773111136 585631603 /nfs/dbraw/zinc/63/16/03/585631603.db2.gz JOSFFUZHJALABE-UHFFFAOYSA-N 0 3 249.314 0.486 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1ccn[nH]1 ZINC000773195654 585633530 /nfs/dbraw/zinc/63/35/30/585633530.db2.gz AEGRKZVNMZAYMV-VIFPVBQESA-N 0 3 222.292 0.624 20 0 BCADHN CO[C@@H](C)CCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000773542064 585640174 /nfs/dbraw/zinc/64/01/74/585640174.db2.gz PDRJENOOPPLULC-JTQLQIEISA-N 0 3 244.335 0.944 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)C2=COCCC2)CC1 ZINC000773551261 585640417 /nfs/dbraw/zinc/64/04/17/585640417.db2.gz VPELAPOSAMETIB-UHFFFAOYSA-N 0 3 240.303 0.823 20 0 BCADHN C[C@@H](OC(=O)C1CCN(C)C1=O)c1cnccn1 ZINC000774038420 585648682 /nfs/dbraw/zinc/64/86/82/585648682.db2.gz QOAFRIWRBXNIGL-BDAKNGLRSA-N 0 3 249.270 0.559 20 0 BCADHN C[C@@H]1C[C@@H]1COC(=O)C1CCN(C)C1=O ZINC000774027917 585648785 /nfs/dbraw/zinc/64/87/85/585648785.db2.gz QOUBWROUHZDTSB-HLTSFMKQSA-N 0 3 211.261 0.664 20 0 BCADHN CN1CCC(C(=O)OC2(C)CCC2)C1=O ZINC000774158827 585652176 /nfs/dbraw/zinc/65/21/76/585652176.db2.gz VZJDFPLTJDPGOJ-MRVPVSSYSA-N 0 3 211.261 0.951 20 0 BCADHN C[C@@H]1OCC[C@H]1OC(=O)C1CCN(C)C1=O ZINC000774504438 585660012 /nfs/dbraw/zinc/66/00/12/585660012.db2.gz YRZKNBFMSQYFBM-DJLDLDEBSA-N 0 3 227.260 0.185 20 0 BCADHN C[C@H]1CCOCCN1CCN1CCCC1=O ZINC000775566570 585679936 /nfs/dbraw/zinc/67/99/36/585679936.db2.gz OBYAQEXBNPYYTJ-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN CCCN(C)CC(=O)N1CCOCC[C@@H]1C ZINC000775597709 585680643 /nfs/dbraw/zinc/68/06/43/585680643.db2.gz JQHFODKDMBTNDO-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN Cn1ccnc1C(=O)NCC1=CCN(C)CC1 ZINC000775754757 585684047 /nfs/dbraw/zinc/68/40/47/585684047.db2.gz BSTWAGCSEOFHMW-UHFFFAOYSA-N 0 3 234.303 0.412 20 0 BCADHN CS[C@@H]1CN([C@H]2CCOC2=O)C[C@@H]1N(C)C ZINC000776001907 585689093 /nfs/dbraw/zinc/68/90/93/585689093.db2.gz QXKYVUMBTCXOAJ-LPEHRKFASA-N 0 3 244.360 0.279 20 0 BCADHN Cc1cc(CN2C[C@H](O)C[C@H]2CO)c(C)o1 ZINC000775997110 585689327 /nfs/dbraw/zinc/68/93/27/585689327.db2.gz XERGMPRRFJBFNC-NWDGAFQWSA-N 0 3 225.288 0.824 20 0 BCADHN CCNC(=S)NCC1=CCN(C)CC1 ZINC000776198194 585692588 /nfs/dbraw/zinc/69/25/88/585692588.db2.gz IJKPAKBIRVMDQZ-UHFFFAOYSA-N 0 3 213.350 0.732 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1CN1CC(=O)N(C)C1=O ZINC000776200826 585692886 /nfs/dbraw/zinc/69/28/86/585692886.db2.gz QKVJZOPNNULONK-NXEZZACHSA-N 0 3 239.319 0.958 20 0 BCADHN c1nncn1CN1CCN(CC2CC2)CC1 ZINC000776757249 585703713 /nfs/dbraw/zinc/70/37/13/585703713.db2.gz KPNBXBGYTCHVHA-UHFFFAOYSA-N 0 3 221.308 0.263 20 0 BCADHN c1ncn([C@H]2CCN(CCC3OCCO3)C2)n1 ZINC000776875902 585706405 /nfs/dbraw/zinc/70/64/05/585706405.db2.gz BPRXYXWWRUWJIP-JTQLQIEISA-N 0 3 238.291 0.288 20 0 BCADHN O=C(CCN1CC[C@H](n2cncn2)C1)C1CC1 ZINC000776879543 585706587 /nfs/dbraw/zinc/70/65/87/585706587.db2.gz TUHDWUKBRWMBQW-NSHDSACASA-N 0 3 234.303 0.894 20 0 BCADHN NC(=O)C[C@@H]1CCCCN1CC1OCCO1 ZINC000777578470 585715461 /nfs/dbraw/zinc/71/54/61/585715461.db2.gz JHZOGYYAOFTNQT-VIFPVBQESA-N 0 3 228.292 0.089 20 0 BCADHN CN(CC1OCCO1)[C@@H]1CCN(C2CC2)C1 ZINC000777580484 585716056 /nfs/dbraw/zinc/71/60/56/585716056.db2.gz CPSPUTDJVVMQEH-LLVKDONJSA-N 0 3 226.320 0.528 20 0 BCADHN O=C1[C@H]2CCCN2C(=O)N1[C@H]1CCN(C2CC2)C1 ZINC000777625128 585717201 /nfs/dbraw/zinc/71/72/01/585717201.db2.gz GCQCVTXNPVWZPR-WDEREUQCSA-N 0 3 249.314 0.650 20 0 BCADHN CN1CCC[C@H](N2C(=O)[C@@H]3CCCN3C2=O)C1 ZINC000777621385 585717258 /nfs/dbraw/zinc/71/72/58/585717258.db2.gz XMODSOMADJSNAM-UWVGGRQHSA-N 0 3 237.303 0.507 20 0 BCADHN CC(C)[C@H]1NC(=O)N([C@H]2CCCN(C)C2)C1=O ZINC000777619274 585717295 /nfs/dbraw/zinc/71/72/95/585717295.db2.gz JKPVHGVOXFZAQH-VHSXEESVSA-N 0 3 239.319 0.657 20 0 BCADHN CC[C@@H]1NC(=O)N([C@H]2CCCN(C)C2)C1=O ZINC000777620740 585717322 /nfs/dbraw/zinc/71/73/22/585717322.db2.gz SGIPQOLAJRSWOY-IUCAKERBSA-N 0 3 225.292 0.411 20 0 BCADHN CC1(C)NC(=O)N([C@@H]2CCN(C3CC3)C2)C1=O ZINC000777626122 585717475 /nfs/dbraw/zinc/71/74/75/585717475.db2.gz OKAFDQQPHMVJJL-SECBINFHSA-N 0 3 237.303 0.554 20 0 BCADHN CCCCN1CCC(N2C(=O)CNC2=O)CC1 ZINC000777628278 585717515 /nfs/dbraw/zinc/71/75/15/585717515.db2.gz MBHCIRIXEMROFX-UHFFFAOYSA-N 0 3 239.319 0.803 20 0 BCADHN CC[C@H]1NC(=O)N([C@H]2CCN(C3CC3)C2)C1=O ZINC000777626411 585717599 /nfs/dbraw/zinc/71/75/99/585717599.db2.gz RZULLTJLVRBTPE-VHSXEESVSA-N 0 3 237.303 0.554 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1CC1OCCO1 ZINC000777711643 585718422 /nfs/dbraw/zinc/71/84/22/585718422.db2.gz AZMLQQIXQNOPNK-VHSXEESVSA-N 0 3 215.293 0.595 20 0 BCADHN C(C1OCCO1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000777711593 585718428 /nfs/dbraw/zinc/71/84/28/585718428.db2.gz AKVCFODMYQJOKM-MNOVXSKESA-N 0 3 227.304 0.718 20 0 BCADHN C(C1OCCO1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000777711594 585718650 /nfs/dbraw/zinc/71/86/50/585718650.db2.gz AKVCFODMYQJOKM-QWRGUYRKSA-N 0 3 227.304 0.718 20 0 BCADHN CN(CC1OCCO1)CC1(O)CCCC1 ZINC000777711718 585718968 /nfs/dbraw/zinc/71/89/68/585718968.db2.gz BVOVJNNEGHMBIN-UHFFFAOYSA-N 0 3 215.293 0.596 20 0 BCADHN Cn1nnnc1CCNCc1ccc(F)nc1 ZINC000778178786 585726906 /nfs/dbraw/zinc/72/69/06/585726906.db2.gz MPQRCBFIUFVNLH-UHFFFAOYSA-N 0 3 236.254 0.077 20 0 BCADHN O=C1OCC[C@@]12CCCN2C[C@H]1CCOC1 ZINC000778243547 585729219 /nfs/dbraw/zinc/72/92/19/585729219.db2.gz SOIQLYWSUAKYAX-PWSUYJOCSA-N 0 3 225.288 0.804 20 0 BCADHN CN(CC1OCCO1)C[C@@H]1CCCC[C@H]1O ZINC000778246437 585729366 /nfs/dbraw/zinc/72/93/66/585729366.db2.gz OISBQUFPWBRNOC-WDEREUQCSA-N 0 3 229.320 0.842 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)C1(N(C)C)CCC1 ZINC000778407437 585734228 /nfs/dbraw/zinc/73/42/28/585734228.db2.gz PUQKDQSZMRYHPD-SNVBAGLBSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1CC[C@@](CO)(N(C)CC2OCCO2)C1 ZINC000778427885 585734656 /nfs/dbraw/zinc/73/46/56/585734656.db2.gz OYMJUBFIOCPACS-ZYHUDNBSSA-N 0 3 229.320 0.842 20 0 BCADHN COCCOC[C@@H](C)N[C@H]1CCCN(C)C1=O ZINC000778546920 585737055 /nfs/dbraw/zinc/73/70/55/585737055.db2.gz REKIAOBCVXEVFQ-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN CN(CCNC(=O)N[C@@H](CO)C1CC1)C1CC1 ZINC000778695909 585739355 /nfs/dbraw/zinc/73/93/55/585739355.db2.gz VVBXVWIKVCVAPU-NSHDSACASA-N 0 3 241.335 0.151 20 0 BCADHN CCN(CC(=O)NC)C[C@@H]1CCO[C@H](C)C1 ZINC000778996381 585743756 /nfs/dbraw/zinc/74/37/56/585743756.db2.gz NESGBEPCOOMGSF-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CNC(=O)C1(NCC2=CCCOC2)CCCC1 ZINC000779175412 585746856 /nfs/dbraw/zinc/74/68/56/585746856.db2.gz GGZSTOSOWYWFJB-UHFFFAOYSA-N 0 3 238.331 0.982 20 0 BCADHN C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1O ZINC000779273077 585749638 /nfs/dbraw/zinc/74/96/38/585749638.db2.gz KGFUKAPHNPZMDE-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@]1(O)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000779341012 585751969 /nfs/dbraw/zinc/75/19/69/585751969.db2.gz YMPLPSOJFDSADD-LBPRGKRZSA-N 0 3 240.347 0.844 20 0 BCADHN CNC(=O)c1cccc(CN[C@H](C)CCO)c1 ZINC000779394869 585753067 /nfs/dbraw/zinc/75/30/67/585753067.db2.gz IHBNZEMQNDOBTQ-SNVBAGLBSA-N 0 3 236.315 0.907 20 0 BCADHN COC(=O)CN1CCN(C[Si](C)(C)C)CC1 ZINC000779472616 585755861 /nfs/dbraw/zinc/75/58/61/585755861.db2.gz YCJAZEPFEOGNPS-UHFFFAOYSA-N 0 3 244.411 0.654 20 0 BCADHN CN(CCC(=O)Nn1cnnc1)c1ccncc1 ZINC000779547771 585756245 /nfs/dbraw/zinc/75/62/45/585756245.db2.gz NBARBNNJFFTICT-UHFFFAOYSA-N 0 3 246.274 0.270 20 0 BCADHN CC[C@H](CO)C(=O)NCCN1CCCCC1 ZINC000779598085 585756755 /nfs/dbraw/zinc/75/67/55/585756755.db2.gz APVMHBNUILUGOY-LLVKDONJSA-N 0 3 228.336 0.607 20 0 BCADHN CC[C@@H](CO)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000779621730 585757494 /nfs/dbraw/zinc/75/74/94/585757494.db2.gz XZGPWEQSENMXBQ-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@H](CO)C(=O)NC[C@@H]1CCCN1CC ZINC000779730325 585760008 /nfs/dbraw/zinc/76/00/08/585760008.db2.gz GFSWZIOHTNMOMZ-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](CO)C(=O)NC1CCN(CC)CC1 ZINC000779731274 585760058 /nfs/dbraw/zinc/76/00/58/585760058.db2.gz MKTHVPXATUHVAD-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@@H](CC)CO ZINC000779765124 585761069 /nfs/dbraw/zinc/76/10/69/585761069.db2.gz FBCMPIPRWFLMPN-NSHDSACASA-N 0 3 230.352 0.805 20 0 BCADHN CC[C@@H](CO)C(=O)N1CCC[C@H]1CN(C)C ZINC000779765275 585761660 /nfs/dbraw/zinc/76/16/60/585761660.db2.gz RLOIBRSYRCNAEX-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@H](CO)C(=O)N1CCCN(CC)CC1 ZINC000779766759 585761764 /nfs/dbraw/zinc/76/17/64/585761764.db2.gz AUNHUYSFSDFYAF-LLVKDONJSA-N 0 3 228.336 0.559 20 0 BCADHN CC[C@@H](CO)C(=O)NC[C@@H]1CCCCN1CC ZINC000779777541 585762443 /nfs/dbraw/zinc/76/24/43/585762443.db2.gz IEUGSACQYIQQNN-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](CO)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000779779373 585762570 /nfs/dbraw/zinc/76/25/70/585762570.db2.gz WVTDOXUXINIXLH-JQWIXIFHSA-N 0 3 240.347 0.558 20 0 BCADHN CC[C@H](CO)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000779783690 585762731 /nfs/dbraw/zinc/76/27/31/585762731.db2.gz BWVYVYIUMUKSGV-IJLUTSLNSA-N 0 3 242.363 0.946 20 0 BCADHN COC[C@@H](CNC(=O)C1(N(C)C)CCC1)OC ZINC000781386455 585795641 /nfs/dbraw/zinc/79/56/41/585795641.db2.gz XDZZXWUHDWTLPX-SNVBAGLBSA-N 0 3 244.335 0.248 20 0 BCADHN O=CN1CCCN(C[C@H]2CCCCO2)CC1 ZINC000781559558 585798512 /nfs/dbraw/zinc/79/85/12/585798512.db2.gz NBEVUDUATMSOEU-GFCCVEGCSA-N 0 3 226.320 0.720 20 0 BCADHN COC(CN1CC[C@H](n2cncn2)C1)OC ZINC000781919259 585805592 /nfs/dbraw/zinc/80/55/92/585805592.db2.gz LMKNKYXOFUEDAZ-VIFPVBQESA-N 0 3 226.280 0.144 20 0 BCADHN C[C@H](C1CC1)N1CCN2C(=O)OC[C@H]2C1 ZINC000782188863 585811038 /nfs/dbraw/zinc/81/10/38/585811038.db2.gz QRTZBGQQUGFGRN-PSASIEDQSA-N 0 3 210.277 0.921 20 0 BCADHN C[C@@H](C1CC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000782187175 585811161 /nfs/dbraw/zinc/81/11/61/585811161.db2.gz MVLVHZDSQVJMGM-WPRPVWTQSA-N 0 3 209.293 0.494 20 0 BCADHN C[C@H](C1CC1)N1CCN2CCOC[C@H]2C1 ZINC000782192354 585811360 /nfs/dbraw/zinc/81/13/60/585811360.db2.gz GWMMTPXURNLWPE-ZYHUDNBSSA-N 0 3 210.321 0.801 20 0 BCADHN C[C@H](C1CC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000782193384 585811537 /nfs/dbraw/zinc/81/15/37/585811537.db2.gz YLZYKHHOGCBHJJ-APPZFPTMSA-N 0 3 223.276 0.021 20 0 BCADHN C[C@H](C1CC1)N1CCN2CCOC[C@@H]2C1 ZINC000782192352 585811598 /nfs/dbraw/zinc/81/15/98/585811598.db2.gz GWMMTPXURNLWPE-PWSUYJOCSA-N 0 3 210.321 0.801 20 0 BCADHN Cc1cc(N2CCOCC3(CC3)C2)nc(N)n1 ZINC000782385057 585816750 /nfs/dbraw/zinc/81/67/50/585816750.db2.gz HMUDUZRLODXXHK-UHFFFAOYSA-N 0 3 234.303 0.984 20 0 BCADHN OC[C@]12C[C@H]1CN(C[C@@H]1CCCCO1)C2 ZINC000782610447 585821834 /nfs/dbraw/zinc/82/18/34/585821834.db2.gz WSCDGHBAUWFTNR-SDDRHHMPSA-N 0 3 211.305 0.870 20 0 BCADHN OC[C@]12C[C@H]1CN(C[C@@H](O)Cc1ccccc1)C2 ZINC000782609810 585821895 /nfs/dbraw/zinc/82/18/95/585821895.db2.gz RFUYMWKWNGJROJ-SOUVJXGZSA-N 0 3 247.338 0.904 20 0 BCADHN Cc1noc(CCCN2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782617186 585822431 /nfs/dbraw/zinc/82/24/31/585822431.db2.gz NMVWTXPVVICKMU-CMPLNLGQSA-N 0 3 237.303 0.625 20 0 BCADHN Cn1ccc(CN2C[C@H]3C[C@@]3(CO)C2)cc1=O ZINC000782620287 585822648 /nfs/dbraw/zinc/82/26/48/585822648.db2.gz TXPPYFNZQGYCOF-YPMHNXCESA-N 0 3 234.299 0.200 20 0 BCADHN CO[C@@H]1CCCN(CCN2CCOC2=O)CC1 ZINC000783018524 585827154 /nfs/dbraw/zinc/82/71/54/585827154.db2.gz OGYHBIUUDJYQJF-LLVKDONJSA-N 0 3 242.319 0.940 20 0 BCADHN CO[C@@H]1CCCN(CC(=O)N(C)OC)CC1 ZINC000783019688 585827212 /nfs/dbraw/zinc/82/72/12/585827212.db2.gz DIVPIMOAJZIPDW-SNVBAGLBSA-N 0 3 230.308 0.507 20 0 BCADHN O=C1CN(CC[C@@H]2CCOC2)CCCN1 ZINC000783548907 585836277 /nfs/dbraw/zinc/83/62/77/585836277.db2.gz WPJIGUWMPUUUGR-SNVBAGLBSA-N 0 3 212.293 0.235 20 0 BCADHN OC[C@]12C[C@H]1CN(CCOC1CCC1)C2 ZINC000805751850 585842916 /nfs/dbraw/zinc/84/29/16/585842916.db2.gz QMDDAZFUASAQOC-CMPLNLGQSA-N 0 3 211.305 0.870 20 0 BCADHN C[C@H](CO)N(CC1OCCO1)C1CCCC1 ZINC000805752160 585843390 /nfs/dbraw/zinc/84/33/90/585843390.db2.gz ZOUJFAXHNCHMDY-SNVBAGLBSA-N 0 3 229.320 0.985 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC000783799941 585843575 /nfs/dbraw/zinc/84/35/75/585843575.db2.gz ZVIOAEDWKBLPEC-CMPLNLGQSA-N 0 3 226.320 0.169 20 0 BCADHN CC[C@@H](CO)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000783865675 585845320 /nfs/dbraw/zinc/84/53/20/585845320.db2.gz GPGIMPVYWRBHIV-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CCN(CC)CCOC(=O)c1ccn(C)n1 ZINC000785679895 585877864 /nfs/dbraw/zinc/87/78/64/585877864.db2.gz RTNLTQYUJZHDOG-UHFFFAOYSA-N 0 3 225.292 0.919 20 0 BCADHN CC[C@H](C)N(CCO)CC1OCCO1 ZINC000805791397 585884082 /nfs/dbraw/zinc/88/40/82/585884082.db2.gz LUJPIZZGLKIPBZ-VIFPVBQESA-N 0 3 203.282 0.452 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=S)NCCN(C)C ZINC000786093414 585887232 /nfs/dbraw/zinc/88/72/32/585887232.db2.gz NDLZLBMMCBWOFN-IUCAKERBSA-N 0 3 233.381 0.436 20 0 BCADHN C[C@H](NCCO)c1ccc(N2CCNC2=O)cc1 ZINC000786785555 585897334 /nfs/dbraw/zinc/89/73/34/585897334.db2.gz ZQWMDFDUUWRVJG-JTQLQIEISA-N 0 3 249.314 0.859 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1CCC(C)(C)C ZINC000786876012 585898142 /nfs/dbraw/zinc/89/81/42/585898142.db2.gz IGJIUMWNCSBQMB-QMMMGPOBSA-N 0 3 248.348 0.830 20 0 BCADHN COC(C)(C)CCN1CCCNC(=O)C1 ZINC000787217295 585903153 /nfs/dbraw/zinc/90/31/53/585903153.db2.gz XXKRDBHKPPBVBV-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CO[C@@H]1CC(=O)N(CN2C[C@H](C)[C@H](C)C2)C1 ZINC000787225578 585903606 /nfs/dbraw/zinc/90/36/06/585903606.db2.gz BOMYDTCWYPUSMS-OUAUKWLOSA-N 0 3 226.320 0.779 20 0 BCADHN CCN1CCCN(CCN2CCCC2)CC1=O ZINC000787319165 585907001 /nfs/dbraw/zinc/90/70/01/585907001.db2.gz QOLSLAWYSAQREH-UHFFFAOYSA-N 0 3 239.363 0.636 20 0 BCADHN CCN1CCN([C@@H](C)CNC(=O)C(F)F)CC1 ZINC000787348980 585907416 /nfs/dbraw/zinc/90/74/16/585907416.db2.gz CCOPUZOUVPHTBG-VIFPVBQESA-N 0 3 249.305 0.394 20 0 BCADHN COC(=O)[C@H]1[C@H](CN2CCC[C@@H]2CO)C1(F)F ZINC000787772893 585915873 /nfs/dbraw/zinc/91/58/73/585915873.db2.gz KGZVYZGWVSZAJC-HRDYMLBCSA-N 0 3 249.257 0.497 20 0 BCADHN Cn1nncc1NC(=O)NC1CCN(C)CC1 ZINC000787790743 585916197 /nfs/dbraw/zinc/91/61/97/585916197.db2.gz NGLVKSCAZDOLPQ-UHFFFAOYSA-N 0 3 238.295 0.031 20 0 BCADHN CC(C)OCC[C@H](O)CN1C[C@@H]2C[C@]2(CO)C1 ZINC000788275973 585920544 /nfs/dbraw/zinc/92/05/44/585920544.db2.gz PAMUHHXEAORNFG-RWMBFGLXSA-N 0 3 243.347 0.477 20 0 BCADHN C[C@H](O)CCCNC(=S)NCCN(C)C ZINC000788326404 585921943 /nfs/dbraw/zinc/92/19/43/585921943.db2.gz DGAWFGTWAVWAQX-VIFPVBQESA-N 0 3 233.381 0.173 20 0 BCADHN C[C@H](O)CN1CCN(c2ccncc2)C[C@@H]1C ZINC000788327761 585922074 /nfs/dbraw/zinc/92/20/74/585922074.db2.gz RNQPHYPHRGVPAM-RYUDHWBXSA-N 0 3 235.331 0.973 20 0 BCADHN CN(C)C(=O)NCCN(C)C[C@H]1CCC=CO1 ZINC000788445029 585923736 /nfs/dbraw/zinc/92/37/36/585923736.db2.gz DKYWNEZDHVLYTK-LLVKDONJSA-N 0 3 241.335 0.882 20 0 BCADHN CC[C@H](N[C@@H]1CCC(=O)NC1=O)[C@@H]1CCCO1 ZINC000788488964 585925577 /nfs/dbraw/zinc/92/55/77/585925577.db2.gz NECBDBRLSABDNM-AEJSXWLSSA-N 0 3 240.303 0.339 20 0 BCADHN C[C@@H](NCCNC(=O)C1CC1)c1cc[nH]c(=O)c1 ZINC000788643979 585928544 /nfs/dbraw/zinc/92/85/44/585928544.db2.gz RAHVKQFHLGTKNE-SECBINFHSA-N 0 3 249.314 0.964 20 0 BCADHN Cc1cc(N[C@H](C)c2ncnn2C)nc(N)n1 ZINC000788863699 585931280 /nfs/dbraw/zinc/93/12/80/585931280.db2.gz NSXNYQMXXZMUOV-SSDOTTSWSA-N 0 3 233.279 0.669 20 0 BCADHN CCCCN(C)CCNC(=O)NOCCOC ZINC000788998211 585933086 /nfs/dbraw/zinc/93/30/86/585933086.db2.gz KZQGMNZSYVPGAW-UHFFFAOYSA-N 0 3 247.339 0.596 20 0 BCADHN Cc1nn[nH]c1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000789943502 585954396 /nfs/dbraw/zinc/95/43/96/585954396.db2.gz YRYJGJXPTKJJOL-JTQLQIEISA-N 0 3 249.318 0.422 20 0 BCADHN Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000789990362 585955678 /nfs/dbraw/zinc/95/56/78/585955678.db2.gz NKHKPEUVABBKHK-APPZFPTMSA-N 0 3 249.318 0.468 20 0 BCADHN Cc1nn[nH]c1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000789990373 585955684 /nfs/dbraw/zinc/95/56/84/585955684.db2.gz NKHKPEUVABBKHK-VXNVDRBHSA-N 0 3 249.318 0.468 20 0 BCADHN CC1(C)CN(CC[C@H]2CCOC2=O)C[C@@H]1O ZINC000790448766 585964988 /nfs/dbraw/zinc/96/49/88/585964988.db2.gz ZPRQWPNZLQXOBD-UWVGGRQHSA-N 0 3 227.304 0.642 20 0 BCADHN CN(C)CCNC(=S)NC[C@H]1CCSC1 ZINC000790602181 585966696 /nfs/dbraw/zinc/96/66/96/585966696.db2.gz BCUZORFGRUPWRW-SECBINFHSA-N 0 3 247.433 0.765 20 0 BCADHN CON(C)C(=O)[C@H]1CCN(C)[C@@H](C)C1 ZINC000791196435 585974993 /nfs/dbraw/zinc/97/49/93/585974993.db2.gz GKNNXWDRLRBHDP-IUCAKERBSA-N 0 3 200.282 0.737 20 0 BCADHN COC/C=C\C(=O)N1CCC[C@H](N(C)C)C1 ZINC000791346499 585978264 /nfs/dbraw/zinc/97/82/64/585978264.db2.gz GUERNIQYGBXIOW-XOIDGJRKSA-N 0 3 226.320 0.742 20 0 BCADHN COC/C=C/C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000791372372 585979393 /nfs/dbraw/zinc/97/93/93/585979393.db2.gz ZCBKVLASROYCGN-CYLBZQBVSA-N 0 3 240.347 0.988 20 0 BCADHN COC/C=C\C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000791386906 585979911 /nfs/dbraw/zinc/97/99/11/585979911.db2.gz UCBQLSPKXYXOTJ-CBZSPVTBSA-N 0 3 238.331 0.930 20 0 BCADHN CC(=O)OCCCN1CCN(C(C)C)CC1 ZINC000791495238 585982083 /nfs/dbraw/zinc/98/20/83/585982083.db2.gz VADBPVACSPKDEF-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792268761 585998579 /nfs/dbraw/zinc/99/85/79/585998579.db2.gz QFVLUMNEFSJEQE-GMTAPVOTSA-N 0 3 239.315 0.927 20 0 BCADHN CCN(CC)CCOC(=O)c1cnn(C)n1 ZINC000792518623 586001456 /nfs/dbraw/zinc/00/14/56/586001456.db2.gz MHWQKCREJPAURA-UHFFFAOYSA-N 0 3 226.280 0.314 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)CC(C)(C)O ZINC000792657439 586003934 /nfs/dbraw/zinc/00/39/34/586003934.db2.gz FPWDPCMJIMBIAH-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CON(C)C(=O)CN1CC[C@@]2(C1)CCCOC2 ZINC000792941209 586007342 /nfs/dbraw/zinc/00/73/42/586007342.db2.gz TVMVPKBWZNZXQL-GFCCVEGCSA-N 0 3 242.319 0.509 20 0 BCADHN C[C@@H]1OCC[C@H]1COC(=O)C1CCN(C)C1=O ZINC000793439994 586020270 /nfs/dbraw/zinc/02/02/70/586020270.db2.gz HLZJDNKFKFDMOZ-GUBZILKMSA-N 0 3 241.287 0.433 20 0 BCADHN C[C@@H]1OCC[C@@H]1COC(=O)C1CCN(C)C1=O ZINC000793439993 586020308 /nfs/dbraw/zinc/02/03/08/586020308.db2.gz HLZJDNKFKFDMOZ-AEJSXWLSSA-N 0 3 241.287 0.433 20 0 BCADHN Cc1cc([C@H](C)NC[C@@H](O)CN(C)C)n(C)n1 ZINC000793526791 586021759 /nfs/dbraw/zinc/02/17/59/586021759.db2.gz OCTZXFBDCQHRMW-WDEREUQCSA-N 0 3 240.351 0.302 20 0 BCADHN COC[C@H](O)CCN[C@@H](C)c1cc(C)nn1C ZINC000793547600 586022490 /nfs/dbraw/zinc/02/24/90/586022490.db2.gz QNBKUNMTNCFZPF-WDEREUQCSA-N 0 3 241.335 0.777 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)CC2OCCO2)CCN1C ZINC000793557588 586023023 /nfs/dbraw/zinc/02/30/23/586023023.db2.gz VZAUKGMNIWOBCJ-ZJUUUORDSA-N 0 3 242.319 0.348 20 0 BCADHN COCC[C@H](CO)N[C@H](C)c1cc(C)nn1C ZINC000793566122 586023290 /nfs/dbraw/zinc/02/32/90/586023290.db2.gz MJDPKMZUPPZUHT-GHMZBOCLSA-N 0 3 241.335 0.777 20 0 BCADHN Cc1nc(CN2CCN(C)[C@H](C)C2)n[nH]1 ZINC000794449810 586039904 /nfs/dbraw/zinc/03/99/04/586039904.db2.gz NRANDKWABBMJOO-MRVPVSSYSA-N 0 3 209.297 0.249 20 0 BCADHN CCn1cc(CCN2C[C@@H]3C[C@]3(CO)C2)cn1 ZINC000794569940 586044141 /nfs/dbraw/zinc/04/41/41/586044141.db2.gz ZAPFYTWCQROVSM-QWHCGFSZSA-N 0 3 235.331 0.760 20 0 BCADHN CCOC[C@@H](N[C@H]1CCC(=O)NC1=O)C(C)C ZINC000794601040 586045377 /nfs/dbraw/zinc/04/53/77/586045377.db2.gz RCXCVZUDWMADHT-VHSXEESVSA-N 0 3 242.319 0.442 20 0 BCADHN CCOC[C@H](N[C@@H]1CCC(=O)NC1=O)C(C)C ZINC000794601043 586045449 /nfs/dbraw/zinc/04/54/49/586045449.db2.gz RCXCVZUDWMADHT-ZJUUUORDSA-N 0 3 242.319 0.442 20 0 BCADHN CCN(C[C@@H](O)c1ccc(F)cn1)[C@H](C)CO ZINC000794691980 586047027 /nfs/dbraw/zinc/04/70/27/586047027.db2.gz MFWZTXASYPKOJD-BXKDBHETSA-N 0 3 242.294 0.957 20 0 BCADHN C[C@@](O)(CO)CNCc1ccc2c[nH]nc2c1 ZINC000794748831 586048127 /nfs/dbraw/zinc/04/81/27/586048127.db2.gz UPNOZUKPHXXRJO-LBPRGKRZSA-N 0 3 235.287 0.396 20 0 BCADHN C[C@](O)(CO)CNCc1ccc2c[nH]nc2c1 ZINC000794748830 586048179 /nfs/dbraw/zinc/04/81/79/586048179.db2.gz UPNOZUKPHXXRJO-GFCCVEGCSA-N 0 3 235.287 0.396 20 0 BCADHN CC(C)C(=O)CCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000794854874 586051350 /nfs/dbraw/zinc/05/13/50/586051350.db2.gz SQHCOHJLODMBPG-URLYPYJESA-N 0 3 211.305 0.772 20 0 BCADHN CCCCOC(=O)CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000794947704 586056990 /nfs/dbraw/zinc/05/69/90/586056990.db2.gz CHHUXQBLIGDFNX-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)COC(=O)CN1CC[C@H]2CN(C)C[C@H]21 ZINC000794949715 586057169 /nfs/dbraw/zinc/05/71/69/586057169.db2.gz RPFKIJTTXMXZNB-NWDGAFQWSA-N 0 3 240.347 0.822 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(C[C@@H](O)CSC)C[C@@H]21 ZINC000794964742 586059018 /nfs/dbraw/zinc/05/90/18/586059018.db2.gz SUFSWDQAZYVGGZ-IMSYWVGJSA-N 0 3 245.344 0.061 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCCCCO)C[C@@H]21 ZINC000794968195 586059156 /nfs/dbraw/zinc/05/91/56/586059156.db2.gz QOCWABSRAKEWSS-URLYPYJESA-N 0 3 227.304 0.500 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCC(=O)C3CC3)C[C@@H]21 ZINC000794987433 586061673 /nfs/dbraw/zinc/06/16/73/586061673.db2.gz TZUZNQIHCWAIJR-IAZYJMLFSA-N 0 3 237.299 0.706 20 0 BCADHN CN1CC[C@@]2(CCN(CCS(C)(=O)=O)C2)C1 ZINC000795316323 586074818 /nfs/dbraw/zinc/07/48/18/586074818.db2.gz QATMTZNITLKNGN-LLVKDONJSA-N 0 3 246.376 0.059 20 0 BCADHN C[C@H](O)CCCOC(=O)C1CCN(C)C1=O ZINC000795596415 586087845 /nfs/dbraw/zinc/08/78/45/586087845.db2.gz DXENECYNUVMHGP-IUCAKERBSA-N 0 3 229.276 0.169 20 0 BCADHN Cc1nc2n(n1)C[C@H](NCc1c[nH]cn1)CC2 ZINC000796448956 586103163 /nfs/dbraw/zinc/10/31/63/586103163.db2.gz JIBAAQVMXNSSHM-SECBINFHSA-N 0 3 232.291 0.414 20 0 BCADHN Cc1nc2n(n1)C[C@H](NCc1cnc[nH]1)CC2 ZINC000796448956 586103164 /nfs/dbraw/zinc/10/31/64/586103164.db2.gz JIBAAQVMXNSSHM-SECBINFHSA-N 0 3 232.291 0.414 20 0 BCADHN CN(C[C@H]1CC2(CCC2)C(=O)O1)C1(CO)CC1 ZINC000796501978 586105394 /nfs/dbraw/zinc/10/53/94/586105394.db2.gz HDCCFZHSUXKFCA-SNVBAGLBSA-N 0 3 239.315 0.929 20 0 BCADHN CCOC(CN(C)C1(CO)CC1)OCC ZINC000796503268 586105601 /nfs/dbraw/zinc/10/56/01/586105601.db2.gz YFGNKOQZWUBQEI-UHFFFAOYSA-N 0 3 217.309 0.842 20 0 BCADHN CC(C)CN(C)C(=O)NCCN(C)C ZINC000797440408 586126903 /nfs/dbraw/zinc/12/69/03/586126903.db2.gz MBPNSASATIJSQH-UHFFFAOYSA-N 0 3 201.314 0.845 20 0 BCADHN CCN(CC)CC(=O)NCCOC(C)=O ZINC000798136234 586137883 /nfs/dbraw/zinc/13/78/83/586137883.db2.gz LHOQDFIKFRUWPN-UHFFFAOYSA-N 0 3 216.281 0.008 20 0 BCADHN C[S@](=O)CCN1CCC[C@@H](CCC(N)=O)C1 ZINC000798194315 586139563 /nfs/dbraw/zinc/13/95/63/586139563.db2.gz AHOZFANNBLGTLJ-QFYYESIMSA-N 0 3 246.376 0.342 20 0 BCADHN C[S@](=O)CCN1CCC[C@H]1CN1CCCC1 ZINC000798196113 586140143 /nfs/dbraw/zinc/14/01/43/586140143.db2.gz SBXLASKWSMCIBU-LRDDRELGSA-N 0 3 244.404 0.925 20 0 BCADHN COC/C=C/C(=O)N1CCCN(C)CC1 ZINC000798272980 586142080 /nfs/dbraw/zinc/14/20/80/586142080.db2.gz NXYMTIIDYILNLZ-HWKANZROSA-N 0 3 212.293 0.353 20 0 BCADHN COC/C=C/C(=O)NCCCN(C)CCOC ZINC000798280018 586142237 /nfs/dbraw/zinc/14/22/37/586142237.db2.gz IRYLXNOTNKGSOL-GQCTYLIASA-N 0 3 244.335 0.274 20 0 BCADHN CCN(CCNC(=O)/C=C/COC)C1CC1 ZINC000798289847 586142481 /nfs/dbraw/zinc/14/24/81/586142481.db2.gz OGJZBEVGVZCFKF-SNAWJCMRSA-N 0 3 226.320 0.790 20 0 BCADHN C[C@@H](OC(=O)C1CCN(C)C1=O)C(=O)C1CC1 ZINC000798653474 586147639 /nfs/dbraw/zinc/14/76/39/586147639.db2.gz JIECTFSYJXRAGX-APPZFPTMSA-N 0 3 239.271 0.376 20 0 BCADHN CN(C)CC1(NC(=O)C2=COCC2)CCC1 ZINC000799039094 586154890 /nfs/dbraw/zinc/15/48/90/586154890.db2.gz XQUWJUJENIVBHU-UHFFFAOYSA-N 0 3 224.304 0.891 20 0 BCADHN CC[C@@H](CO)N(C)CCc1cn(C)nn1 ZINC000859318490 589031041 /nfs/dbraw/zinc/03/10/41/589031041.db2.gz CQDCSTGLPNABTR-JTQLQIEISA-N 0 3 212.297 0.060 20 0 BCADHN CC1(C)CCN([C@H]2CCC(=O)NC2=O)CC1 ZINC000799120866 586158966 /nfs/dbraw/zinc/15/89/66/586158966.db2.gz OLSPVNDKAYSGEY-VIFPVBQESA-N 0 3 224.304 0.914 20 0 BCADHN CC1(C)CCCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000799122114 586159158 /nfs/dbraw/zinc/15/91/58/586159158.db2.gz PGRZRJRKGHLGRB-SECBINFHSA-N 0 3 224.304 0.914 20 0 BCADHN CCOC[C@@H]1CCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000799125224 586159590 /nfs/dbraw/zinc/15/95/90/586159590.db2.gz JTRXWXSEYXZEAS-NXEZZACHSA-N 0 3 240.303 0.150 20 0 BCADHN CC[C@@]1(C)CCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000799128386 586160440 /nfs/dbraw/zinc/16/04/40/586160440.db2.gz PUTGNCRXHPRAAG-SKDRFNHKSA-N 0 3 224.304 0.914 20 0 BCADHN CON(C)C(=O)CCN1CCN(C)CC1(C)C ZINC000799150713 586161442 /nfs/dbraw/zinc/16/14/42/586161442.db2.gz XFUXUIPAOOBVON-UHFFFAOYSA-N 0 3 243.351 0.422 20 0 BCADHN C[C@@]1(O)CCCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799167696 586163866 /nfs/dbraw/zinc/16/38/66/586163866.db2.gz CRVHQHNZZLNHBG-BXKDBHETSA-N 0 3 240.303 0.029 20 0 BCADHN CO[C@@]1(C)CCCN([C@H]2CCC(=O)NC2=O)C1 ZINC000799168909 586164733 /nfs/dbraw/zinc/16/47/33/586164733.db2.gz YVVRUPZCEXBLOH-CABZTGNLSA-N 0 3 240.303 0.293 20 0 BCADHN OCC1(CN2CC[C@@H](c3ccccn3)C2)COC1 ZINC000799193502 586166696 /nfs/dbraw/zinc/16/66/96/586166696.db2.gz KWXMVMYSIUJHGJ-GFCCVEGCSA-N 0 3 248.326 0.880 20 0 BCADHN OC[C@@H]1CCCN1C[C@H](O)c1ccc(F)cn1 ZINC000799300976 586168893 /nfs/dbraw/zinc/16/88/93/586168893.db2.gz MTTXVNJSXPXUEB-JQWIXIFHSA-N 0 3 240.278 0.711 20 0 BCADHN OC[C@H]1CCCN1C[C@H](O)c1ccc(F)cn1 ZINC000799297404 586169722 /nfs/dbraw/zinc/16/97/22/586169722.db2.gz MTTXVNJSXPXUEB-PWSUYJOCSA-N 0 3 240.278 0.711 20 0 BCADHN C[C@@]1(O)CCN(C[C@@H](O)c2ccc(F)cn2)C1 ZINC000799305919 586170197 /nfs/dbraw/zinc/17/01/97/586170197.db2.gz OLWSEHUNMUQXFL-VXGBXAGGSA-N 0 3 240.278 0.711 20 0 BCADHN C(CN1CCOC[C@]12CCOC2)N1CCCC1 ZINC000799346761 586172849 /nfs/dbraw/zinc/17/28/49/586172849.db2.gz IKRLXLSFEWYCLZ-CYBMUJFWSA-N 0 3 240.347 0.574 20 0 BCADHN CCN(CCN1CCCC1)[C@H]1CCNC1=O ZINC000799354948 586173395 /nfs/dbraw/zinc/17/33/95/586173395.db2.gz XZGAZHMAFIDPRS-NSHDSACASA-N 0 3 225.336 0.293 20 0 BCADHN Cc1c[nH]nc1C(=O)NCCN1CCC[C@H]1C ZINC000799844789 586197495 /nfs/dbraw/zinc/19/74/95/586197495.db2.gz DOWLBRMLQUJZAP-SNVBAGLBSA-N 0 3 236.319 0.932 20 0 BCADHN CCN1CC[C@H](NC(=O)C[C@H](C)OC)C1 ZINC000839898728 586213084 /nfs/dbraw/zinc/21/30/84/586213084.db2.gz HLARWCRRSUMWDH-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1CN(CCN2CCN(C)[C@H](C)C2)CCO1 ZINC000800367011 586214616 /nfs/dbraw/zinc/21/46/16/586214616.db2.gz QVEMJHMTMUCFIQ-CHWSQXEVSA-N 0 3 241.379 0.343 20 0 BCADHN CSC[C@H](O)CNC[C@H](O)c1ccc(C)o1 ZINC000843084417 586269411 /nfs/dbraw/zinc/26/94/11/586269411.db2.gz AAIFXBPBSXZGSR-ZJUUUORDSA-N 0 3 245.344 0.935 20 0 BCADHN CCOC[C@@H](O)CNC[C@@H](O)c1ccc(C)o1 ZINC000843085127 586270706 /nfs/dbraw/zinc/27/07/06/586270706.db2.gz FOHLHMRSNWAAQN-WDEREUQCSA-N 0 3 243.303 0.608 20 0 BCADHN O[C@@H](CN1CCCC1)CN1CCOCC12CC2 ZINC000801981865 586285312 /nfs/dbraw/zinc/28/53/12/586285312.db2.gz UZGOLOHEPVAKJC-LBPRGKRZSA-N 0 3 240.347 0.308 20 0 BCADHN OCCCCCCN1CC[C@](F)(CO)C1 ZINC000802013919 586286191 /nfs/dbraw/zinc/28/61/91/586286191.db2.gz CYGNVKZCUONBBN-LLVKDONJSA-N 0 3 219.300 0.945 20 0 BCADHN Cc1cc(NC[C@H](C)c2nncn2C)nc(N)n1 ZINC000804645444 586404642 /nfs/dbraw/zinc/40/46/42/586404642.db2.gz ZPTDTXGYTNTGJZ-ZETCQYMHSA-N 0 3 247.306 0.711 20 0 BCADHN C[C@@H](CN(C)C)NC(=S)NC[C@@H]1CCCO1 ZINC000806590123 586414126 /nfs/dbraw/zinc/41/41/26/586414126.db2.gz ANCAVOZVBJHGDX-UWVGGRQHSA-N 0 3 245.392 0.580 20 0 BCADHN Cc1n[nH]nc1C(=O)N(CCN(C)C)C1CC1 ZINC000807269124 586431249 /nfs/dbraw/zinc/43/12/49/586431249.db2.gz YYDBSNKVJQEXKV-UHFFFAOYSA-N 0 3 237.307 0.279 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H](CCO)C1CC1 ZINC000807577489 586446781 /nfs/dbraw/zinc/44/67/81/586446781.db2.gz UGUJDYXZNPYAMY-ONGXEEELSA-N 0 3 243.351 0.397 20 0 BCADHN CCCc1nnc(SCCN(C)C)n1N ZINC000808054643 586460967 /nfs/dbraw/zinc/46/09/67/586460967.db2.gz UMWPECXIHZVTEN-UHFFFAOYSA-N 0 3 229.353 0.598 20 0 BCADHN COC(OC)[C@H](C)NC(=O)CN(C)C(C)C ZINC000808152977 586464687 /nfs/dbraw/zinc/46/46/87/586464687.db2.gz BPIYBWKSGCTSAT-VIFPVBQESA-N 0 3 232.324 0.450 20 0 BCADHN CC1=C(C(=O)N[C@@H](CO)CN(C)C)CCCO1 ZINC000808174641 586466539 /nfs/dbraw/zinc/46/65/39/586466539.db2.gz UKFABEOTKSCCTQ-SNVBAGLBSA-N 0 3 242.319 0.110 20 0 BCADHN CC(C)=CC(=O)N[C@@H](CO)CN1CCCC1 ZINC000808224879 586468137 /nfs/dbraw/zinc/46/81/37/586468137.db2.gz WMUZYTCXHBYFCR-LLVKDONJSA-N 0 3 226.320 0.526 20 0 BCADHN Cn1cnc(CNCCCO[C@@H]2CCOC2)c1 ZINC000808394173 586471356 /nfs/dbraw/zinc/47/13/56/586471356.db2.gz ILMBGGLSIBJNJJ-GFCCVEGCSA-N 0 3 239.319 0.705 20 0 BCADHN COc1cncc(CN2CC[C@@H](C(N)=O)C2)c1 ZINC000808720407 586484508 /nfs/dbraw/zinc/48/45/08/586484508.db2.gz UYFYOPYORJRLPQ-SNVBAGLBSA-N 0 3 235.287 0.397 20 0 BCADHN CC(C)C(=O)CCN1C[C@H](O)C[C@H]1CO ZINC000808747186 586487374 /nfs/dbraw/zinc/48/73/74/586487374.db2.gz DAEBFTZTLPWYHW-VHSXEESVSA-N 0 3 215.293 0.029 20 0 BCADHN CCC[C@]1(CO)CCN(CC2OCCO2)C1 ZINC000808796879 586490298 /nfs/dbraw/zinc/49/02/98/586490298.db2.gz TYTPVPALEIJMNS-LBPRGKRZSA-N 0 3 229.320 0.844 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)c1cncn1C ZINC000809693201 586513504 /nfs/dbraw/zinc/51/35/04/586513504.db2.gz PXKARKUMFPEMEP-JTQLQIEISA-N 0 3 238.335 0.736 20 0 BCADHN CCN1C[C@H](C)N(Cc2cnn(C)n2)C[C@@H]1C ZINC000809969425 586527547 /nfs/dbraw/zinc/52/75/47/586527547.db2.gz TZXYSHPETVIUMR-QWRGUYRKSA-N 0 3 237.351 0.730 20 0 BCADHN CCN1C[C@@H](C)N(Cc2cnn(C)n2)C[C@@H]1C ZINC000809969426 586527783 /nfs/dbraw/zinc/52/77/83/586527783.db2.gz TZXYSHPETVIUMR-WDEREUQCSA-N 0 3 237.351 0.730 20 0 BCADHN CCn1cnnc1CCNCc1n[nH]cc1C ZINC000810146254 586535237 /nfs/dbraw/zinc/53/52/37/586535237.db2.gz OISVOFVCTJXBTR-UHFFFAOYSA-N 0 3 234.307 0.662 20 0 BCADHN Cc1ncccc1COC(=O)C1CCN(C)C1=O ZINC000810890143 586549401 /nfs/dbraw/zinc/54/94/01/586549401.db2.gz COXKAOFPVTYNCE-NSHDSACASA-N 0 3 248.282 0.912 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1ncn(C)n1 ZINC000811171566 586556454 /nfs/dbraw/zinc/55/64/54/586556454.db2.gz BMBPFBUCIBBVEO-VIFPVBQESA-N 0 3 237.307 0.029 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)c3ccncn3)C[C@@H]2C1 ZINC000812321120 586573436 /nfs/dbraw/zinc/57/34/36/586573436.db2.gz BKBKXGUNIIWOGU-MNOVXSKESA-N 0 3 246.314 0.500 20 0 BCADHN Cc1nnc2cc(NC[C@@H](C)N(C)C)ncn12 ZINC000840251992 586574719 /nfs/dbraw/zinc/57/47/19/586574719.db2.gz PZPHFSFNRDFIRC-MRVPVSSYSA-N 0 3 234.307 0.795 20 0 BCADHN Cc1nnc2cc(NC[C@H](C)N(C)C)ncn12 ZINC000840252017 586574941 /nfs/dbraw/zinc/57/49/41/586574941.db2.gz PZPHFSFNRDFIRC-QMMMGPOBSA-N 0 3 234.307 0.795 20 0 BCADHN CCOCCN1CCC(C(=O)N(C)OC)CC1 ZINC000812867489 586588140 /nfs/dbraw/zinc/58/81/40/586588140.db2.gz BELVUSDFQLAFEL-UHFFFAOYSA-N 0 3 244.335 0.755 20 0 BCADHN Cc1nc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)no1 ZINC000813820132 586606643 /nfs/dbraw/zinc/60/66/43/586606643.db2.gz BRWGAPCXURYTIF-RKDXNWHRSA-N 0 3 236.275 0.154 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Nc3ccncc3)[C@@H]2C1 ZINC000813821206 586606731 /nfs/dbraw/zinc/60/67/31/586606731.db2.gz PVZROAGUYYIGJI-ZYHUDNBSSA-N 0 3 246.314 0.671 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C2=COCC2)C1 ZINC000814145219 586614460 /nfs/dbraw/zinc/61/44/60/586614460.db2.gz LYXCZNXNCBTZEV-ONGXEEELSA-N 0 3 222.288 0.453 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cnsn3)[C@@H]2C1 ZINC000814143715 586614603 /nfs/dbraw/zinc/61/46/03/586614603.db2.gz BEKZTFYTVAATEE-VXNVDRBHSA-N 0 3 238.316 0.314 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)C3=COCCO3)[C@@H]2C1 ZINC000814145021 586614873 /nfs/dbraw/zinc/61/48/73/586614873.db2.gz JZLJWKYBNQNLBZ-VHSXEESVSA-N 0 3 238.287 0.037 20 0 BCADHN CO[C@H](C)CC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000814145946 586614930 /nfs/dbraw/zinc/61/49/30/586614930.db2.gz PGQLXSIZIRFNEW-OUAUKWLOSA-N 0 3 226.320 0.574 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(Cc3[nH]ncc3C)C[C@@H]21 ZINC000814173304 586615308 /nfs/dbraw/zinc/61/53/08/586615308.db2.gz NDVNFQVTHGEBOW-JZYVYDRUSA-N 0 3 235.287 0.569 20 0 BCADHN Cn1ncc(CNC[C@H]2CCCCN2C2CC2)n1 ZINC000815137940 586669380 /nfs/dbraw/zinc/66/93/80/586669380.db2.gz UONGHDCXDHTHFN-CYBMUJFWSA-N 0 3 249.362 0.922 20 0 BCADHN OCCN1CCC2(CC1)OCCCO2 ZINC000815155701 586670900 /nfs/dbraw/zinc/67/09/00/586670900.db2.gz LIMAAGMKFFJYDM-UHFFFAOYSA-N 0 3 201.266 0.208 20 0 BCADHN OCCOCCN1CCC2(CC1)OCCCO2 ZINC000815156445 586670937 /nfs/dbraw/zinc/67/09/37/586670937.db2.gz HBZLFIKPSVKRDD-UHFFFAOYSA-N 0 3 245.319 0.224 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2cc(C=O)c[nH]2)C1 ZINC000815306383 586677610 /nfs/dbraw/zinc/67/76/10/586677610.db2.gz VTSUMHDGVADVIN-LLVKDONJSA-N 0 3 249.314 0.993 20 0 BCADHN CCN(CC)CCOC(=O)c1cnnn1CC ZINC000815528519 586687412 /nfs/dbraw/zinc/68/74/12/586687412.db2.gz ONGCGKQDRQHIIW-UHFFFAOYSA-N 0 3 240.307 0.797 20 0 BCADHN C[C@@H](NCCCc1cnn(C)n1)c1cnccn1 ZINC000815640435 586689754 /nfs/dbraw/zinc/68/97/54/586689754.db2.gz XRECFZJBVUZCID-SNVBAGLBSA-N 0 3 246.318 0.889 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)C[C@H]2CCOC2)CC1 ZINC000816533155 586739595 /nfs/dbraw/zinc/73/95/95/586739595.db2.gz KQFMPIAEVVIPFP-SNVBAGLBSA-N 0 3 242.319 0.555 20 0 BCADHN C[C@@H]1CC/C(=C/C(=O)N[C@H](CO)CN(C)C)C1 ZINC000816617722 586745000 /nfs/dbraw/zinc/74/50/00/586745000.db2.gz HDALUIVFMRVLRG-GZXATSTBSA-N 0 3 240.347 0.772 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)/C=C/c1ccc[nH]1 ZINC000816618783 586745329 /nfs/dbraw/zinc/74/53/29/586745329.db2.gz INBWATMJJMMNTL-MVIFTORASA-N 0 3 237.303 0.067 20 0 BCADHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)C(F)F ZINC000816750523 586760489 /nfs/dbraw/zinc/76/04/89/586760489.db2.gz NSCLKPFCNBFGPZ-BDAKNGLRSA-N 0 3 248.273 0.573 20 0 BCADHN CO[N-]C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000816846098 586768399 /nfs/dbraw/zinc/76/83/99/586768399.db2.gz OFBRKYQUMREVRK-JTQLQIEISA-N 0 3 244.360 0.882 20 0 BCADHN CCC1(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)COC1 ZINC000816949907 586773587 /nfs/dbraw/zinc/77/35/87/586773587.db2.gz IBVDBCFWJSUQKI-QWRGUYRKSA-N 0 3 238.331 0.576 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3ncccn3)[C@@H]2C1 ZINC000816952296 586773905 /nfs/dbraw/zinc/77/39/05/586773905.db2.gz HGBWRUSSFXRJFI-VHSXEESVSA-N 0 3 232.287 0.253 20 0 BCADHN CC[C@H](CO)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000816954483 586774638 /nfs/dbraw/zinc/77/46/38/586774638.db2.gz BZXQNOSFGDHAQQ-VWYCJHECSA-N 0 3 226.320 0.167 20 0 BCADHN CC[C@@H](CO)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000817043152 586779886 /nfs/dbraw/zinc/77/98/86/586779886.db2.gz CNHQSCOUNRVPGK-WCQYABFASA-N 0 3 240.347 0.559 20 0 BCADHN Cc1cc(NCC2(CC(N)=O)CC2)nc(N)n1 ZINC000817124716 586782785 /nfs/dbraw/zinc/78/27/85/586782785.db2.gz UNJZXHOQAUOKNO-UHFFFAOYSA-N 0 3 235.291 0.435 20 0 BCADHN CON(C)C(=O)CN1CCC[C@H](CCO)CC1 ZINC000817296238 586793028 /nfs/dbraw/zinc/79/30/28/586793028.db2.gz GRWTWUMZHQJNGV-NSHDSACASA-N 0 3 244.335 0.491 20 0 BCADHN CN(C[C@@H]1CCCN1C)[C@@H]1CCOC1=O ZINC000817289608 586793525 /nfs/dbraw/zinc/79/35/25/586793525.db2.gz ABMRRFUEGSYKSD-VHSXEESVSA-N 0 3 212.293 0.328 20 0 BCADHN CCC1(C(=O)N(C)C[C@H]2CCCN2C)COC1 ZINC000817491904 586808039 /nfs/dbraw/zinc/80/80/39/586808039.db2.gz TZLGEKZIOUPBJI-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@H](C)CC(=O)N(C)C[C@@H]1CCCN1C ZINC000817492243 586808412 /nfs/dbraw/zinc/80/84/12/586808412.db2.gz WKZDDBQXPVVGSK-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C(=S)NCCN(C)C ZINC000817566531 586811878 /nfs/dbraw/zinc/81/18/78/586811878.db2.gz NPBXGTVRHNJDMJ-NXEZZACHSA-N 0 3 245.392 0.268 20 0 BCADHN Cc1nonc1CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000817943090 586846177 /nfs/dbraw/zinc/84/61/77/586846177.db2.gz IKPZPSRHVCLCBV-VXNVDRBHSA-N 0 3 238.291 0.382 20 0 BCADHN C[C@H](CC(=O)NC[C@H]1CNCCO1)C1CC1 ZINC000818012746 586864463 /nfs/dbraw/zinc/86/44/63/586864463.db2.gz XGHZZSCKKFNYIV-MWLCHTKSSA-N 0 3 226.320 0.527 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1F ZINC000818061911 586868376 /nfs/dbraw/zinc/86/83/76/586868376.db2.gz ITKMPLCMCMCJBK-JMJZKYOTSA-N 0 3 238.262 0.323 20 0 BCADHN C[C@@H](COc1ccccc1)NC(=O)[C@@H]1C[C@@H]1N ZINC000818083564 586871714 /nfs/dbraw/zinc/87/17/14/586871714.db2.gz YRKPVXVGTFRZFY-WCQGTBRESA-N 0 3 234.299 0.917 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000818094984 586873710 /nfs/dbraw/zinc/87/37/10/586873710.db2.gz BYCPJJWAKOGTGU-HBNTYKKESA-N 0 3 238.262 0.323 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1COc2ccccc21 ZINC000818099585 586874459 /nfs/dbraw/zinc/87/44/59/586874459.db2.gz HTKDKJDUDJCIFZ-IVZWLZJFSA-N 0 3 218.256 0.584 20 0 BCADHN CSCC[C@@H](C)NC(=O)[C@@H]1C[C@@H]1N ZINC000818130378 586875848 /nfs/dbraw/zinc/87/58/48/586875848.db2.gz MMJQYPZZUWTRKV-PRJMDXOYSA-N 0 3 202.323 0.591 20 0 BCADHN CC(C)c1cc(CNC(=O)[C@@H]2C[C@@H]2N)on1 ZINC000818122042 586876005 /nfs/dbraw/zinc/87/60/05/586876005.db2.gz MNNVRSFZDAWBSB-BDAKNGLRSA-N 0 3 223.276 0.761 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000818133322 586876422 /nfs/dbraw/zinc/87/64/22/586876422.db2.gz CGGIRJCNIWYBGJ-XVMARJQXSA-N 0 3 238.209 0.123 20 0 BCADHN CCn1nc(C)c(CNC2CCN(C)CC2)n1 ZINC000818220378 586880120 /nfs/dbraw/zinc/88/01/20/586880120.db2.gz GHQRRJTUMNTZLC-UHFFFAOYSA-N 0 3 237.351 0.790 20 0 BCADHN CCNCC(=O)Nc1nc2c(s1)COCC2 ZINC000818458505 586891029 /nfs/dbraw/zinc/89/10/29/586891029.db2.gz BHVMJXSBRRREAW-UHFFFAOYSA-N 0 3 241.316 0.764 20 0 BCADHN CCNCC(=O)NCc1c(C)nn(CC)c1C ZINC000818460569 586891658 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246.314 0.933 20 0 BCADHN O=C(CN1CCCC1)N[C@H]1CCc2[nH]cnc2C1 ZINC000821106831 587096335 /nfs/dbraw/zinc/09/63/35/587096335.db2.gz WVUJDNJTBLSFPZ-JTQLQIEISA-N 0 3 248.330 0.479 20 0 BCADHN O=C(CN1CCCC1)N[C@H]1CCc2nc[nH]c2C1 ZINC000821106831 587096337 /nfs/dbraw/zinc/09/63/37/587096337.db2.gz WVUJDNJTBLSFPZ-JTQLQIEISA-N 0 3 248.330 0.479 20 0 BCADHN Cc1cnccc1CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168037 589085364 /nfs/dbraw/zinc/08/53/64/589085364.db2.gz RNWYSCKLUKNLEW-VXGBXAGGSA-N 0 3 232.283 0.995 20 0 BCADHN C[N@@H+]1CC[C@@H](CC(=O)[N-]OCc2cccnc2)C1 ZINC000821144372 587098698 /nfs/dbraw/zinc/09/86/98/587098698.db2.gz UBIVXJKCSYBPMT-NSHDSACASA-N 0 3 249.314 0.971 20 0 BCADHN C[N@H+]1CC[C@@H](CC(=O)[N-]OCc2cccnc2)C1 ZINC000821144372 587098700 /nfs/dbraw/zinc/09/87/00/587098700.db2.gz UBIVXJKCSYBPMT-NSHDSACASA-N 0 3 249.314 0.971 20 0 BCADHN C[C@@H](O)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000821248331 587103721 /nfs/dbraw/zinc/10/37/21/587103721.db2.gz XGOSCKFQQCMPCE-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN c1nc2c([nH]1)CN(CCC1OCCO1)CC2 ZINC000821270153 587104459 /nfs/dbraw/zinc/10/44/59/587104459.db2.gz KDNOKECPQQIVGQ-UHFFFAOYSA-N 0 3 223.276 0.531 20 0 BCADHN O=C1OC[C@H]2CN(CCOC(F)F)C[C@@H]12 ZINC000860168060 589085739 /nfs/dbraw/zinc/08/57/39/589085739.db2.gz SIJDSECNIXKDQH-RNFRBKRXSA-N 0 3 221.203 0.330 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCCN(C=O)CC2)O1 ZINC000821287474 587105334 /nfs/dbraw/zinc/10/53/34/587105334.db2.gz HJRGCHKHUZEFAP-VXGBXAGGSA-N 0 3 226.320 0.718 20 0 BCADHN Cc1cc(CN2C[C@@H]3COC(=O)[C@@H]3C2)ccn1 ZINC000860167343 589085755 /nfs/dbraw/zinc/08/57/55/589085755.db2.gz IBWWKALNOYFRFM-VXGBXAGGSA-N 0 3 232.283 0.995 20 0 BCADHN Cn1cncc1CCN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166869 589085801 /nfs/dbraw/zinc/08/58/01/589085801.db2.gz XJFKUPBCDVIZKY-MWLCHTKSSA-N 0 3 235.287 0.067 20 0 BCADHN COC(CN1CCN(C)C[C@H]1C(C)C)OC ZINC000821332485 587108566 /nfs/dbraw/zinc/10/85/66/587108566.db2.gz QQGUKFPILISQAP-NSHDSACASA-N 0 3 230.352 0.877 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCC1OCCO1 ZINC000821336597 587109090 /nfs/dbraw/zinc/10/90/90/587109090.db2.gz FALXILNJGDHFIB-LLVKDONJSA-N 0 3 228.336 0.775 20 0 BCADHN COC(=O)C1(CN2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860166757 589085929 /nfs/dbraw/zinc/08/59/29/589085929.db2.gz SPEQDHBASFKNJW-RKDXNWHRSA-N 0 3 239.271 0.044 20 0 BCADHN COCCN(CCOC)C[C@@H]1CCC(=O)O1 ZINC000821342948 587109327 /nfs/dbraw/zinc/10/93/27/587109327.db2.gz RNVIRERTSVLABW-JTQLQIEISA-N 0 3 231.292 0.287 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N1CCOC1 ZINC000821370622 587113295 /nfs/dbraw/zinc/11/32/95/587113295.db2.gz YJAXJKNRDMMOMZ-SNVBAGLBSA-N 0 3 212.293 0.676 20 0 BCADHN C[C@@H](O)CCN(C)C[C@H]1CCC(=O)O1 ZINC000821380461 587114050 /nfs/dbraw/zinc/11/40/50/587114050.db2.gz QHRKMWJONPAHEN-RKDXNWHRSA-N 0 3 201.266 0.395 20 0 BCADHN CC(=O)CCN(C)C(=O)C1(CN(C)C)CC1 ZINC000821394502 587116221 /nfs/dbraw/zinc/11/62/21/587116221.db2.gz LAPUIHZZHUBHQK-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CC(=O)CCN(C)C(=O)C[C@@H]1CCN(C)C1 ZINC000821395629 587116468 /nfs/dbraw/zinc/11/64/68/587116468.db2.gz XZWUCOZOOWZHQK-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H](NC[C@H]1CCC(=O)O1)c1cnn(C)c1 ZINC000821401998 587116983 /nfs/dbraw/zinc/11/69/83/587116983.db2.gz KLPBUZDJHQJVIJ-WCBMZHEXSA-N 0 3 223.276 0.776 20 0 BCADHN CO[C@H]1CCCN(C[C@H]2CCC(=O)O2)C1 ZINC000821401520 587117302 /nfs/dbraw/zinc/11/73/02/587117302.db2.gz FADSRHQRMVZXGV-VHSXEESVSA-N 0 3 213.277 0.803 20 0 BCADHN CO[C@H]1CCCN(C[C@@H]2CCC(=O)O2)C1 ZINC000821401518 587117347 /nfs/dbraw/zinc/11/73/47/587117347.db2.gz FADSRHQRMVZXGV-UWVGGRQHSA-N 0 3 213.277 0.803 20 0 BCADHN CN1CCN(C(=O)CN2CCCC2)C(C)(C)C1 ZINC000821452504 587120639 /nfs/dbraw/zinc/12/06/39/587120639.db2.gz BQIZJHNPNICJNO-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CN(CCc1cnccn1)C(=O)CN1CCCC1 ZINC000821516526 587124660 /nfs/dbraw/zinc/12/46/60/587124660.db2.gz NCHSEIPTLIAIPU-UHFFFAOYSA-N 0 3 248.330 0.573 20 0 BCADHN C[C@@H]1[C@H](C)N(C(=O)CN2CCCC2)CCN1C ZINC000821526596 587126265 /nfs/dbraw/zinc/12/62/65/587126265.db2.gz DTGUZSWOCYEVNH-NEPJUHHUSA-N 0 3 239.363 0.633 20 0 BCADHN C/C=C/C[C@@H]1CCCN(CCS(N)(=O)=O)C1 ZINC000860178681 589087432 /nfs/dbraw/zinc/08/74/32/589087432.db2.gz DPIRTMUEMRBIEZ-KXMPLOMGSA-N 0 3 246.376 0.953 20 0 BCADHN CN(CC(=O)N(C)C1CC(O)C1)CC(C)(C)C ZINC000821926489 587147367 /nfs/dbraw/zinc/14/73/67/587147367.db2.gz RTDVZSBCMVCPPJ-UHFFFAOYSA-N 0 3 242.363 0.946 20 0 BCADHN CCC[C@H](CC)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000821955673 587147784 /nfs/dbraw/zinc/14/77/84/587147784.db2.gz VTPQVBDZGMGAET-AAEUAGOBSA-N 0 3 242.363 0.996 20 0 BCADHN CN(C)c1ncc(CN[C@H](CO)C2CC2)n1C ZINC000822456856 587169234 /nfs/dbraw/zinc/16/92/34/587169234.db2.gz WGLXRGIYSCKAPF-LLVKDONJSA-N 0 3 238.335 0.347 20 0 BCADHN CN(CCCCCO)C(=O)CN1CCCC1 ZINC000822536243 587173659 /nfs/dbraw/zinc/17/36/59/587173659.db2.gz KPJYECHSEDFGHX-UHFFFAOYSA-N 0 3 228.336 0.703 20 0 BCADHN C[C@@H](O)CCN1CCC(c2nnc[nH]2)CC1 ZINC000822677677 587180336 /nfs/dbraw/zinc/18/03/36/587180336.db2.gz ZKEUDEBPLQDHME-SECBINFHSA-N 0 3 224.308 0.755 20 0 BCADHN CNC(=O)C1(NCC[C@@H](C)O)CCCC1 ZINC000822746807 587182385 /nfs/dbraw/zinc/18/23/85/587182385.db2.gz NESXFDFLIOMSFB-SECBINFHSA-N 0 3 214.309 0.406 20 0 BCADHN CC[C@](C)(O)C(=O)NCC1(N(C)C)CC1 ZINC000822931278 587194129 /nfs/dbraw/zinc/19/41/29/587194129.db2.gz LGKMKGZTTFMVPN-JTQLQIEISA-N 0 3 214.309 0.358 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)NCC1(N(C)C)CC1 ZINC000822938358 587194323 /nfs/dbraw/zinc/19/43/23/587194323.db2.gz UZSKNKPLGMRYBE-RKDXNWHRSA-N 0 3 212.293 0.232 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CCCN1C ZINC000823132125 587204488 /nfs/dbraw/zinc/20/44/88/587204488.db2.gz AGNNZDOXBWDZSC-GMTAPVOTSA-N 0 3 226.320 0.574 20 0 BCADHN CC[C@](C)(O)C(=O)N(C)C[C@H]1CCCN1C ZINC000823132333 587204550 /nfs/dbraw/zinc/20/45/50/587204550.db2.gz CTVHHCGMLCXJMG-PWSUYJOCSA-N 0 3 228.336 0.700 20 0 BCADHN CN(C)CCONC(=O)c1cc(Cl)no1 ZINC000823255161 587211365 /nfs/dbraw/zinc/21/13/65/587211365.db2.gz OHNQPHWBVFHAQU-UHFFFAOYSA-N 0 3 233.655 0.551 20 0 BCADHN CN(C)CCNC(=O)NCC1SCCS1 ZINC000823398598 587219369 /nfs/dbraw/zinc/21/93/69/587219369.db2.gz XOLKJJYWEWYMTN-UHFFFAOYSA-N 0 3 249.405 0.653 20 0 BCADHN O=C(CN1CCCC1)N1CC[C@H](CCCO)C1 ZINC000823472918 587224495 /nfs/dbraw/zinc/22/44/95/587224495.db2.gz DEYGLWYIPQGLFH-LBPRGKRZSA-N 0 3 240.347 0.703 20 0 BCADHN CCCN(C(=O)[C@@H]1C[C@H]1OC)[C@@H]1CCN(C)C1 ZINC000823499988 587227417 /nfs/dbraw/zinc/22/74/17/587227417.db2.gz RBYKQKCXTMGXAY-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C)CCN(C)C(=O)NOCC1CCC1 ZINC000824063047 587252913 /nfs/dbraw/zinc/25/29/13/587252913.db2.gz XASWBGANOWOWRJ-UHFFFAOYSA-N 0 3 229.324 0.921 20 0 BCADHN CCn1nc(C)c(CN2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000824426678 587270012 /nfs/dbraw/zinc/27/00/12/587270012.db2.gz CCLZTFDVZNMYDB-DGCLKSJQSA-N 0 3 249.362 0.742 20 0 BCADHN C[C@H]1CN(Cc2cnn(C)n2)CCN(C2CC2)C1 ZINC000824445687 587270808 /nfs/dbraw/zinc/27/08/08/587270808.db2.gz KLWLZUYIIJACJX-NSHDSACASA-N 0 3 249.362 0.731 20 0 BCADHN C[C@@]1(NC(=O)[C@@H]2CCOC2)CN2CCC1CC2 ZINC000824902665 587292738 /nfs/dbraw/zinc/29/27/38/587292738.db2.gz ZIRRKIFONNHYKZ-ZWNOBZJWSA-N 0 3 238.331 0.623 20 0 BCADHN C[C@]1(NC(=O)[C@H]2CCOC2)CN2CCC1CC2 ZINC000824902662 587292772 /nfs/dbraw/zinc/29/27/72/587292772.db2.gz ZIRRKIFONNHYKZ-GWCFXTLKSA-N 0 3 238.331 0.623 20 0 BCADHN CC[C@H](C)N1CCN(Cc2cnn(C)n2)CC1 ZINC000825099064 587304054 /nfs/dbraw/zinc/30/40/54/587304054.db2.gz SZWPJIUGBZIZLA-NSHDSACASA-N 0 3 237.351 0.731 20 0 BCADHN CC1=NO[C@H](C(=O)N2CCC[C@H]2CN(C)C)C1 ZINC000825567569 587325490 /nfs/dbraw/zinc/32/54/90/587325490.db2.gz KCFNNCMQBUVQOC-QWRGUYRKSA-N 0 3 239.319 0.704 20 0 BCADHN CC1=NO[C@H](C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000825596658 587326352 /nfs/dbraw/zinc/32/63/52/587326352.db2.gz BKXSXCAAQHXEPW-MNOVXSKESA-N 0 3 239.319 0.704 20 0 BCADHN CC1=NO[C@@H](C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000825596660 587326547 /nfs/dbraw/zinc/32/65/47/587326547.db2.gz BKXSXCAAQHXEPW-WDEREUQCSA-N 0 3 239.319 0.704 20 0 BCADHN CC1=NO[C@@H](C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000825596657 587326636 /nfs/dbraw/zinc/32/66/36/587326636.db2.gz BKXSXCAAQHXEPW-GHMZBOCLSA-N 0 3 239.319 0.704 20 0 BCADHN CC(C)N1CCCC[C@H]1COC(=O)CC(N)=O ZINC000840497611 587332875 /nfs/dbraw/zinc/33/28/75/587332875.db2.gz ZEQMRJFAUAZCKJ-JTQLQIEISA-N 0 3 242.319 0.668 20 0 BCADHN C[NH+](C)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC000825870162 587342848 /nfs/dbraw/zinc/34/28/48/587342848.db2.gz CEHNADCOSWLMNX-UHFFFAOYSA-N 0 3 233.279 0.235 20 0 BCADHN C[NH+](C)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC000825870162 587342849 /nfs/dbraw/zinc/34/28/49/587342849.db2.gz CEHNADCOSWLMNX-UHFFFAOYSA-N 0 3 233.279 0.235 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)[C@H](O)C1CCC1 ZINC000825891169 587344214 /nfs/dbraw/zinc/34/42/14/587344214.db2.gz FXQXQHJLJLGDKV-VXGBXAGGSA-N 0 3 242.363 0.850 20 0 BCADHN CCN1CCC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000826599396 587356094 /nfs/dbraw/zinc/35/60/94/587356094.db2.gz KYNOFQCJIZQFGW-JTQLQIEISA-N 0 3 236.319 0.553 20 0 BCADHN CN1CCC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000826600010 587356331 /nfs/dbraw/zinc/35/63/31/587356331.db2.gz OFTUOYBTRBCYSF-SECBINFHSA-N 0 3 222.292 0.163 20 0 BCADHN COC/C=C\C(=O)NCCN1CC[C@@H](C)C1 ZINC000826722384 587360016 /nfs/dbraw/zinc/36/00/16/587360016.db2.gz OYVRINWCKDBALA-DLRQAJBASA-N 0 3 226.320 0.647 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2cc(=O)cc[nH]2)CCN1 ZINC000826763680 587361358 /nfs/dbraw/zinc/36/13/58/587361358.db2.gz RFHRRQOQNWPEIP-LBPRGKRZSA-N 0 3 249.314 0.445 20 0 BCADHN CCCCC[C@H](O)C(=O)N(C)CCN(C)C ZINC000826771972 587361894 /nfs/dbraw/zinc/36/18/94/587361894.db2.gz VNKVQCLRZTZTIC-NSHDSACASA-N 0 3 230.352 0.948 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC000826831406 587363822 /nfs/dbraw/zinc/36/38/22/587363822.db2.gz XYMJSZPJLGUHLR-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN CC1=NO[C@@H](C(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000826877942 587364707 /nfs/dbraw/zinc/36/47/07/587364707.db2.gz OTLQJQFWRYABFC-GHMZBOCLSA-N 0 3 239.319 0.609 20 0 BCADHN O=C([C@@H]1CCOC1)N1CCC(N2CCC2)CC1 ZINC000826929323 587365970 /nfs/dbraw/zinc/36/59/70/587365970.db2.gz XDJLQOLMYHSKSY-LLVKDONJSA-N 0 3 238.331 0.720 20 0 BCADHN Cn1cnc(/C=C/C(=O)NC[C@H]2CCCN2C)c1 ZINC000827136918 587370808 /nfs/dbraw/zinc/37/08/08/587370808.db2.gz UKPYHIVNHDGFRG-BTDICHCPSA-N 0 3 248.330 0.644 20 0 BCADHN CCN1CC[C@@H](C[NH2+][C@H]2CCN(C(=O)[O-])C2)C1 ZINC000827207212 587372862 /nfs/dbraw/zinc/37/28/62/587372862.db2.gz MBCNJZWQJLBKOI-QWRGUYRKSA-N 0 3 241.335 0.670 20 0 BCADHN CC[N@@H+]1CC[C@@H](CN[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000827207212 587372863 /nfs/dbraw/zinc/37/28/63/587372863.db2.gz MBCNJZWQJLBKOI-QWRGUYRKSA-N 0 3 241.335 0.670 20 0 BCADHN CC[N@H+]1CC[C@@H](CN[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000827207212 587372864 /nfs/dbraw/zinc/37/28/64/587372864.db2.gz MBCNJZWQJLBKOI-QWRGUYRKSA-N 0 3 241.335 0.670 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)C3CC(=O)C3)CC[C@H]21 ZINC000827291491 587375684 /nfs/dbraw/zinc/37/56/84/587375684.db2.gz WSOXQAURMQUWJF-BXKDBHETSA-N 0 3 236.315 0.518 20 0 BCADHN CC(=O)CCC(=O)N1CC[C@H]2[C@H](CCN2C)C1 ZINC000827374312 587378884 /nfs/dbraw/zinc/37/88/84/587378884.db2.gz NHFYTTIUCIILMX-NEPJUHHUSA-N 0 3 238.331 0.908 20 0 BCADHN CCCCN(C)CCNC(=O)[C@@H]1CC(C)=NO1 ZINC000827408369 587380219 /nfs/dbraw/zinc/38/02/19/587380219.db2.gz VVIAMECNBOXLAO-NSHDSACASA-N 0 3 241.335 0.999 20 0 BCADHN CCCCN(C)CCNC(=O)Cc1ncc[nH]1 ZINC000827408339 587380336 /nfs/dbraw/zinc/38/03/36/587380336.db2.gz VIUCYJBRNYBIDD-UHFFFAOYSA-N 0 3 238.335 0.800 20 0 BCADHN CC[C@@H](N)C(=O)N(C)Cc1cccc(C(N)=O)c1 ZINC000827513436 587385023 /nfs/dbraw/zinc/38/50/23/587385023.db2.gz FIIAKABAGNZPSJ-LLVKDONJSA-N 0 3 249.314 0.481 20 0 BCADHN CC(C(=O)NC[C@@](C)(O)CN(C)C)=C1CCC1 ZINC000827606238 587391947 /nfs/dbraw/zinc/39/19/47/587391947.db2.gz HLWPCFGRQVVHIB-CYBMUJFWSA-N 0 3 240.347 0.916 20 0 BCADHN CC1(CCC(=O)NCCN2CC[C@H](O)C2)CC1 ZINC000827748966 587401254 /nfs/dbraw/zinc/40/12/54/587401254.db2.gz CBMQXIOOAGDOFQ-NSHDSACASA-N 0 3 240.347 0.750 20 0 BCADHN O=CN1CCCN(C[C@H]2CCC=CO2)CC1 ZINC000827871837 587406222 /nfs/dbraw/zinc/40/62/22/587406222.db2.gz JBTYKWTXJVEIGN-GFCCVEGCSA-N 0 3 224.304 0.843 20 0 BCADHN C[S@@](=O)CCN1CCC(n2cccn2)CC1 ZINC000827913636 587409271 /nfs/dbraw/zinc/40/92/71/587409271.db2.gz FIGDNIVKQGQSSZ-MRXNPFEDSA-N 0 3 241.360 0.899 20 0 BCADHN CN(CC[S@](C)=O)[C@H]1CCN(C2CC2)C1 ZINC000827919790 587409895 /nfs/dbraw/zinc/40/98/95/587409895.db2.gz ORKGQTRCCVWMLA-NHYWBVRUSA-N 0 3 230.377 0.533 20 0 BCADHN COC[C@H]1CCCN1CC[S@@](C)=O ZINC000827976061 587414337 /nfs/dbraw/zinc/41/43/37/587414337.db2.gz OJUYHPFXRHXSNY-NOZJJQNGSA-N 0 3 205.323 0.476 20 0 BCADHN C[S@](=O)CCN1CCC[C@H]2COCC[C@H]21 ZINC000827989953 587415536 /nfs/dbraw/zinc/41/55/36/587415536.db2.gz DJIVQEYXFKQSCB-RWSFTLGLSA-N 0 3 231.361 0.866 20 0 BCADHN CNC(=O)C1(NCC[S@](C)=O)CCCC1 ZINC000828066299 587418599 /nfs/dbraw/zinc/41/85/99/587418599.db2.gz JOLOZFAYAJSYLQ-HNNXBMFYSA-N 0 3 232.349 0.013 20 0 BCADHN CCC[C@@H](O)CN1CCC2(C1)OCCO2 ZINC000828286609 587431854 /nfs/dbraw/zinc/43/18/54/587431854.db2.gz CPUKKQPAHDCUCE-SNVBAGLBSA-N 0 3 215.293 0.596 20 0 BCADHN CC[C@@]1(CO)CCCN1CC[S@](C)=O ZINC000828388977 587439308 /nfs/dbraw/zinc/43/93/08/587439308.db2.gz AQDLQQYCDRNRJI-HZMBPMFUSA-N 0 3 219.350 0.602 20 0 BCADHN COCC[C@@]1(NCC[S@@](C)=O)CCOC1 ZINC000828439404 587442319 /nfs/dbraw/zinc/44/23/19/587442319.db2.gz GWRAKFXMVQPIKR-MEBBXXQBSA-N 0 3 235.349 0.150 20 0 BCADHN CO[C@]1(C)CCCN(CC[S@](C)=O)C1 ZINC000828449825 587443090 /nfs/dbraw/zinc/44/30/90/587443090.db2.gz CBLYFKBHBQFBRN-YGRLFVJLSA-N 0 3 219.350 0.866 20 0 BCADHN CCN(C)C(=O)[C@@H](NCC[S@@](C)=O)C(C)C ZINC000828588166 587452444 /nfs/dbraw/zinc/45/24/44/587452444.db2.gz VPXWYDOHLLIUJX-MGPLVRAMSA-N 0 3 248.392 0.457 20 0 BCADHN C[S@@](=O)CCN1CCC[C@]2(CCOC2)C1 ZINC000828609980 587453477 /nfs/dbraw/zinc/45/34/77/587453477.db2.gz QSMWDHCVOYEXBR-XHDPSFHLSA-N 0 3 231.361 0.867 20 0 BCADHN C[S@@](=O)CCN1CC[C@@H](CCCO)C1 ZINC000828613313 587454185 /nfs/dbraw/zinc/45/41/85/587454185.db2.gz BBQYCCDNFZLIKY-QMTHXVAHSA-N 0 3 219.350 0.459 20 0 BCADHN CC(C)CC(=O)CCN1CC[C@@H](O)[C@@H](CO)C1 ZINC000828626935 587454410 /nfs/dbraw/zinc/45/44/10/587454410.db2.gz MBLRWBYPYJANHG-DGCLKSJQSA-N 0 3 243.347 0.667 20 0 BCADHN C[S@](=O)CCN1CCC[C@H](CCO)CC1 ZINC000828631434 587454878 /nfs/dbraw/zinc/45/48/78/587454878.db2.gz FIQMBSLKUFWSIL-NHYWBVRUSA-N 0 3 233.377 0.849 20 0 BCADHN CN(CC[S@](C)=O)C[C@@H]1CCCN1C ZINC000828634028 587455025 /nfs/dbraw/zinc/45/50/25/587455025.db2.gz ZBTBBQZJLIAIPD-HZMBPMFUSA-N 0 3 218.366 0.391 20 0 BCADHN CC1=NO[C@@H](C(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000828681743 587456862 /nfs/dbraw/zinc/45/68/62/587456862.db2.gz ZIGQLRZJORBISL-GHMZBOCLSA-N 0 3 239.319 0.704 20 0 BCADHN CN(C(=O)Cc1ncc[nH]1)[C@H]1CCCN(C)C1 ZINC000828681181 587456996 /nfs/dbraw/zinc/45/69/96/587456996.db2.gz WRVIYVCDIPAZHE-JTQLQIEISA-N 0 3 236.319 0.505 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@](C)(N)CCC ZINC000828882736 587468588 /nfs/dbraw/zinc/46/85/88/587468588.db2.gz CZAHQPPMCSSHFL-GFCCVEGCSA-N 0 3 244.335 0.963 20 0 BCADHN CCN(C)c1ccccc1CNC(=O)CNC ZINC000828886722 587468527 /nfs/dbraw/zinc/46/85/27/587468527.db2.gz APKWPIUGFCINBB-UHFFFAOYSA-N 0 3 235.331 0.978 20 0 BCADHN O=C(NCCOCC1CC1)[C@@]1(F)CCNC1 ZINC000828977419 587477053 /nfs/dbraw/zinc/47/70/53/587477053.db2.gz DQVDRDHDNWLLAN-LLVKDONJSA-N 0 3 230.283 0.231 20 0 BCADHN CC(=O)[C@@H](OC(=O)C1CCN(C)C1=O)C(C)C ZINC000829017021 587479088 /nfs/dbraw/zinc/47/90/88/587479088.db2.gz QPKQWGAHPPGYAV-ZJUUUORDSA-N 0 3 241.287 0.622 20 0 BCADHN C[C@](O)(CN1CC(C)(C(N)=O)C1)c1ccccc1 ZINC000829050979 587480588 /nfs/dbraw/zinc/48/05/88/587480588.db2.gz DHOAUIBEFWGSDY-AWEZNQCLSA-N 0 3 248.326 0.701 20 0 BCADHN CC1(C(N)=O)CN(CC2(O)CCCCC2)C1 ZINC000829050778 587480812 /nfs/dbraw/zinc/48/08/12/587480812.db2.gz AZJYCPDQCIOUCM-UHFFFAOYSA-N 0 3 226.320 0.489 20 0 BCADHN CC1=NO[C@H](C(=O)NCCN2CC[C@@H](C)C2)C1 ZINC000829439624 587496884 /nfs/dbraw/zinc/49/68/84/587496884.db2.gz DRQXGYDNCYLACU-KOLCDFICSA-N 0 3 239.319 0.609 20 0 BCADHN O=C(Nc1ccc2nccn2c1)[C@]1(F)CCNC1 ZINC000829463868 587498654 /nfs/dbraw/zinc/49/86/54/587498654.db2.gz SAHLBPHSZMBGOH-LBPRGKRZSA-N 0 3 248.261 0.974 20 0 BCADHN COCC1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000829478866 587499956 /nfs/dbraw/zinc/49/99/56/587499956.db2.gz MGKSKDVOVLVCRG-LBPRGKRZSA-N 0 3 244.310 0.573 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)C2CCC2)[nH]n1 ZINC000829500637 587500756 /nfs/dbraw/zinc/50/07/56/587500756.db2.gz ORGQKNZDUMUJCF-NSHDSACASA-N 0 3 236.319 0.716 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)C2CCC2)n[nH]1 ZINC000829500637 587500757 /nfs/dbraw/zinc/50/07/57/587500757.db2.gz ORGQKNZDUMUJCF-NSHDSACASA-N 0 3 236.319 0.716 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)CC(F)F)[nH]n1 ZINC000829500565 587501042 /nfs/dbraw/zinc/50/10/42/587501042.db2.gz NFNCLSSZNFQNOT-QMMMGPOBSA-N 0 3 246.261 0.571 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)CC(F)F)n[nH]1 ZINC000829500565 587501043 /nfs/dbraw/zinc/50/10/43/587501043.db2.gz NFNCLSSZNFQNOT-QMMMGPOBSA-N 0 3 246.261 0.571 20 0 BCADHN CC[C@@H](C)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000829558892 587503573 /nfs/dbraw/zinc/50/35/73/587503573.db2.gz CWKQWEBKRSAMGO-SFYZADRCSA-N 0 3 234.321 0.440 20 0 BCADHN CC[C@](C)(O)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000829570078 587504023 /nfs/dbraw/zinc/50/40/23/587504023.db2.gz MTIHTSAFRFKOEN-MDZLAQPJSA-N 0 3 240.347 0.843 20 0 BCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCOC1 ZINC000829569324 587504104 /nfs/dbraw/zinc/50/41/04/587504104.db2.gz CZYGSFLZDWUSLA-GRYCIOLGSA-N 0 3 238.331 0.718 20 0 BCADHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@@H](C)N ZINC000829799141 587517266 /nfs/dbraw/zinc/51/72/66/587517266.db2.gz KPKMBOXRZDEQTL-RDDDGLTNSA-N 0 3 234.303 0.626 20 0 BCADHN C[C@H](C(=O)N1CC=C(N)N1)N1CCCCCC1 ZINC000829831484 587521340 /nfs/dbraw/zinc/52/13/40/587521340.db2.gz NGXRBZZJZVEGOS-SNVBAGLBSA-N 0 3 238.335 0.398 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CC=C(N)N1 ZINC000829836599 587521642 /nfs/dbraw/zinc/52/16/42/587521642.db2.gz OPEVBDNECQBBHZ-DTORHVGOSA-N 0 3 224.308 0.006 20 0 BCADHN CCN(CC[S@@](C)=O)C[C@H](C)OC ZINC000829980490 587531081 /nfs/dbraw/zinc/53/10/81/587531081.db2.gz WZCWDHBBRHDUFR-TVQRCGJNSA-N 0 3 207.339 0.722 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCNc1ccccc1 ZINC000830007026 587531804 /nfs/dbraw/zinc/53/18/04/587531804.db2.gz QGUFWJJCUZYQCK-WDEREUQCSA-N 0 3 219.288 0.562 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H](O)c1ccccc1 ZINC000830102504 587535832 /nfs/dbraw/zinc/53/58/32/587535832.db2.gz KQXNDMIPOSLAQA-JHJVBQTASA-N 0 3 237.299 0.723 20 0 BCADHN CC(C)C1(C(=O)N[C@H]2CCN(C)[C@H]2C)COC1 ZINC000830110741 587536456 /nfs/dbraw/zinc/53/64/56/587536456.db2.gz IOTPMMARAXIGDC-QWRGUYRKSA-N 0 3 240.347 0.868 20 0 BCADHN CC(C)C1(C(=O)N[C@@H]2CCN(C)[C@H]2C)COC1 ZINC000830110743 587536487 /nfs/dbraw/zinc/53/64/87/587536487.db2.gz IOTPMMARAXIGDC-WDEREUQCSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@H]1[C@@H](NC(=O)C2(n3cccn3)CC2)CCN1C ZINC000830113174 587536812 /nfs/dbraw/zinc/53/68/12/587536812.db2.gz VZVIPKKGLPYNHO-QWRGUYRKSA-N 0 3 248.330 0.581 20 0 BCADHN CC[C@H]1[C@@H](CO)CCN1CC1OCCO1 ZINC000830719843 587565209 /nfs/dbraw/zinc/56/52/09/587565209.db2.gz IFYNGDYXQZUVMZ-ZJUUUORDSA-N 0 3 215.293 0.452 20 0 BCADHN C[C@@H]1C(=O)N(C)CN1CCN1CCCC1 ZINC000830772495 587569409 /nfs/dbraw/zinc/56/94/09/587569409.db2.gz APMIMDNHTQOKJW-SNVBAGLBSA-N 0 3 211.309 0.202 20 0 BCADHN O=C1N[C@@H]2CN(C[C@H]3CCCO3)CC[C@H]2CO1 ZINC000830959658 587579203 /nfs/dbraw/zinc/57/92/03/587579203.db2.gz QNAMBPDMQBHKRY-HBNTYKKESA-N 0 3 240.303 0.596 20 0 BCADHN COC[C@H]1CCCN1C(=O)[C@@]1(F)CCNC1 ZINC000831038084 587582984 /nfs/dbraw/zinc/58/29/84/587582984.db2.gz CVGPFPVGYBXGSP-MWLCHTKSSA-N 0 3 230.283 0.325 20 0 BCADHN CC[C@H]1COCCN1C(=O)[C@@]1(F)CCNC1 ZINC000831051813 587583610 /nfs/dbraw/zinc/58/36/10/587583610.db2.gz CFKRYAFTKWEOCV-GXSJLCMTSA-N 0 3 230.283 0.325 20 0 BCADHN CC[C@@H]1COCCN1C(=O)[C@@]1(F)CCNC1 ZINC000831051816 587583649 /nfs/dbraw/zinc/58/36/49/587583649.db2.gz CFKRYAFTKWEOCV-MWLCHTKSSA-N 0 3 230.283 0.325 20 0 BCADHN CC[C@@H]1COCCN1C(=O)[C@]1(F)CCNC1 ZINC000831051814 587583964 /nfs/dbraw/zinc/58/39/64/587583964.db2.gz CFKRYAFTKWEOCV-KOLCDFICSA-N 0 3 230.283 0.325 20 0 BCADHN CC[C@H]1COCCN1C(=O)[C@]1(F)CCNC1 ZINC000831051817 587584051 /nfs/dbraw/zinc/58/40/51/587584051.db2.gz CFKRYAFTKWEOCV-ONGXEEELSA-N 0 3 230.283 0.325 20 0 BCADHN CO[C@@H]1C[C@@H](NC(=O)[C@@]2(F)CCNC2)C1(C)C ZINC000831133324 587587091 /nfs/dbraw/zinc/58/70/91/587587091.db2.gz UZFWPOJVJSLDRP-KBVBSXBZSA-N 0 3 244.310 0.618 20 0 BCADHN COC(=O)C[C@H](NC(=O)CNC1CC1)C1CC1 ZINC000831146043 587587760 /nfs/dbraw/zinc/58/77/60/587587760.db2.gz BMAMZDGYTPHFAA-JTQLQIEISA-N 0 3 240.303 0.196 20 0 BCADHN CC[C@@H]1CO[C@H](C)CN1C(=O)[C@]1(F)CCNC1 ZINC000831156211 587587934 /nfs/dbraw/zinc/58/79/34/587587934.db2.gz QODXGKFNWLYONX-FOGDFJRCSA-N 0 3 244.310 0.714 20 0 BCADHN Cc1cc(=O)[nH]cc1NC(=O)[C@]1(F)CCNC1 ZINC000831165769 587588682 /nfs/dbraw/zinc/58/86/82/587588682.db2.gz LBZPGCOLQYVENW-NSHDSACASA-N 0 3 239.250 0.736 20 0 BCADHN Cc1nn(C)cc1[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1N ZINC000831291415 587595989 /nfs/dbraw/zinc/59/59/89/587595989.db2.gz NAPSNUKJSSZUBD-ADEWGFFLSA-N 0 3 248.330 0.739 20 0 BCADHN CO[C@@H]1C[C@@H](NCC2OCCO2)C1(C)C ZINC000831339817 587599385 /nfs/dbraw/zinc/59/93/85/587599385.db2.gz XAEYOJFBBSOGLH-RKDXNWHRSA-N 0 3 215.293 0.762 20 0 BCADHN CO[C@@H]1C[C@H](N[C@@H]2CCC(=O)NC2=O)C1(C)C ZINC000831338337 587599633 /nfs/dbraw/zinc/59/96/33/587599633.db2.gz HVGQEEMLGLSJCI-HRDYMLBCSA-N 0 3 240.303 0.195 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCc1nccc(N)n1 ZINC000831347029 587600246 /nfs/dbraw/zinc/60/02/46/587600246.db2.gz QCYOIJZVBFRSDY-QMMMGPOBSA-N 0 3 237.307 0.048 20 0 BCADHN O=C(NCc1ccc(F)cn1)[C@]1(F)CCNC1 ZINC000831369253 587601964 /nfs/dbraw/zinc/60/19/64/587601964.db2.gz MEOIMCORKUKCFY-NSHDSACASA-N 0 3 241.241 0.539 20 0 BCADHN CCc1ncc(NC(=O)[C@@]2(F)CCNC2)cn1 ZINC000831425512 587605861 /nfs/dbraw/zinc/60/58/61/587605861.db2.gz CIVRYSMWBSKACK-LLVKDONJSA-N 0 3 238.266 0.679 20 0 BCADHN C[C@H](NC(=O)[C@]1(F)CCNC1)c1cn[nH]c1 ZINC000831461281 587610003 /nfs/dbraw/zinc/61/00/03/587610003.db2.gz JIYJJNJDOWIWCP-XVKPBYJWSA-N 0 3 226.255 0.289 20 0 BCADHN Cc1c(CNC(=O)[C@]2(F)CCNC2)cnn1C ZINC000831466249 587611041 /nfs/dbraw/zinc/61/10/41/587611041.db2.gz SGLCOTNVXQWXKD-NSHDSACASA-N 0 3 240.282 0.046 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@]2(F)CCNC2)CCO1 ZINC000831502272 587614746 /nfs/dbraw/zinc/61/47/46/587614746.db2.gz KFHPHRGCNNREFY-KKZNHRDASA-N 0 3 230.283 0.372 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@]2(F)CCNC2)CCO1 ZINC000831502273 587614880 /nfs/dbraw/zinc/61/48/80/587614880.db2.gz KFHPHRGCNNREFY-WCABBAIRSA-N 0 3 230.283 0.372 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2ncccn2)CCN1 ZINC000831594846 587621909 /nfs/dbraw/zinc/62/19/09/587621909.db2.gz YTMRYHANDZMBDG-SNVBAGLBSA-N 0 3 234.303 0.547 20 0 BCADHN CCO[C@@H](CNC(=O)CCF)CN(C)C ZINC000831701813 587628132 /nfs/dbraw/zinc/62/81/32/587628132.db2.gz GSNKTBGGWWKVIK-VIFPVBQESA-N 0 3 220.288 0.429 20 0 BCADHN C/C=C/C(=O)NC[C@@H](CN(C)C)OCC ZINC000831707687 587628298 /nfs/dbraw/zinc/62/82/98/587628298.db2.gz KGXCDRPXAHZORF-STUBTGCMSA-N 0 3 214.309 0.645 20 0 BCADHN C/C=C/C(=O)NC[C@H](CN(C)C)OCC ZINC000831707684 587628439 /nfs/dbraw/zinc/62/84/39/587628439.db2.gz KGXCDRPXAHZORF-BREXMAIKSA-N 0 3 214.309 0.645 20 0 BCADHN O=C(Nc1cncnc1)[C@]1(F)CCNC1 ZINC000831922037 587636801 /nfs/dbraw/zinc/63/68/01/587636801.db2.gz XBVYFYCDUWTEMQ-VIFPVBQESA-N 0 3 210.212 0.117 20 0 BCADHN Cc1cnccc1CNC(=O)[C@@]1(F)CCNC1 ZINC000831921239 587636817 /nfs/dbraw/zinc/63/68/17/587636817.db2.gz KRVPPUDFZOMFSV-GFCCVEGCSA-N 0 3 237.278 0.708 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC000831921039 587636894 /nfs/dbraw/zinc/63/68/94/587636894.db2.gz HENAMRMMLUJBSJ-LAEOZQHASA-N 0 3 240.278 0.711 20 0 BCADHN CNCC(=O)N[C@@H](C)[C@H](O)c1cccc(F)c1 ZINC000832122732 587645580 /nfs/dbraw/zinc/64/55/80/587645580.db2.gz SIBTXFVIYAICPO-UFBFGSQYSA-N 0 3 240.278 0.583 20 0 BCADHN CCc1cnc(CNC(=O)[C@@]2(F)CCNC2)o1 ZINC000832128896 587645594 /nfs/dbraw/zinc/64/55/94/587645594.db2.gz PKKJZUDLKKIIAZ-LLVKDONJSA-N 0 3 241.266 0.555 20 0 BCADHN [NH3+]CC[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000832204898 587650241 /nfs/dbraw/zinc/65/02/41/587650241.db2.gz MTRLTEHZNCEEAM-UHFFFAOYSA-N 0 3 232.205 0.992 20 0 BCADHN CCN(CCO)CCNC(=O)C(F)(F)CC ZINC000832301881 587653708 /nfs/dbraw/zinc/65/37/08/587653708.db2.gz KRFBQFBSTPULIF-UHFFFAOYSA-N 0 3 238.278 0.462 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)CC2(O)CCC2)C1 ZINC000832697870 587678245 /nfs/dbraw/zinc/67/82/45/587678245.db2.gz ISCOYZBUBPKCFX-QWRGUYRKSA-N 0 3 238.331 0.454 20 0 BCADHN C[C@@H](C[NH3+])NC(=O)c1ccc(N)cc1[O-] ZINC000834618776 587761118 /nfs/dbraw/zinc/76/11/18/587761118.db2.gz MBNOYBAEXNKPKX-LURJTMIESA-N 0 3 209.249 0.051 20 0 BCADHN C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000834635865 587762366 /nfs/dbraw/zinc/76/23/66/587762366.db2.gz KTYTVLWBOJAVDP-KCJUWKMLSA-N 0 3 249.314 0.702 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ccc(N)cc2[O-])CC[NH2+]1 ZINC000834678295 587763753 /nfs/dbraw/zinc/76/37/53/587763753.db2.gz UFBBYCHWLMFRDI-SCZZXKLOSA-N 0 3 249.314 0.845 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H](O)C1 ZINC000834767299 587766504 /nfs/dbraw/zinc/76/65/04/587766504.db2.gz SBEXNAOLOSDPTH-BJDJZHNGSA-N 0 3 240.347 0.746 20 0 BCADHN CCCN(C)CC(=O)NC[C@H]1C[C@H](O)C1 ZINC000834769760 587766587 /nfs/dbraw/zinc/76/65/87/587766587.db2.gz BGPXQYCVFUMYJK-MGCOHNPYSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(N)cc1[O-] ZINC000834821149 587767625 /nfs/dbraw/zinc/76/76/25/587767625.db2.gz KUJGVQSLVPOZTG-RNFRBKRXSA-N 0 3 223.276 0.440 20 0 BCADHN C[C@@H](NC(=O)c1ccc(N)cc1[O-])[C@H](C)[NH3+] ZINC000834821148 587767762 /nfs/dbraw/zinc/76/77/62/587767762.db2.gz KUJGVQSLVPOZTG-NKWVEPMBSA-N 0 3 223.276 0.440 20 0 BCADHN Nc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c([O-])c1 ZINC000834862355 587768818 /nfs/dbraw/zinc/76/88/18/587768818.db2.gz RWIBACJUVNJJGR-WPRPVWTQSA-N 0 3 249.314 0.832 20 0 BCADHN CS[C@@H](C)COC(=O)C1CCN(C)C1=O ZINC000835686181 587812836 /nfs/dbraw/zinc/81/28/36/587812836.db2.gz SGQVLVWOAVAJJH-YUMQZZPRSA-N 0 3 231.317 0.759 20 0 BCADHN CC[C@](C)(COC(=O)C1CCN(C)C1=O)OC ZINC000835964474 587821563 /nfs/dbraw/zinc/82/15/63/587821563.db2.gz YWYMFQMFTKJVTK-BXKDBHETSA-N 0 3 243.303 0.823 20 0 BCADHN CC[C@@](C)(COC(=O)C1CCN(C)C1=O)OC ZINC000835964476 587821655 /nfs/dbraw/zinc/82/16/55/587821655.db2.gz YWYMFQMFTKJVTK-CABZTGNLSA-N 0 3 243.303 0.823 20 0 BCADHN CCOCCONC(=O)NC[C@H](C)N(C)C ZINC000836405140 587832512 /nfs/dbraw/zinc/83/25/12/587832512.db2.gz WVMQMDXISYAWRK-VIFPVBQESA-N 0 3 233.312 0.204 20 0 BCADHN CC(C)OCCONC(=O)NC[C@H](C)N(C)C ZINC000836468159 587833816 /nfs/dbraw/zinc/83/38/16/587833816.db2.gz XWPMMDKTCBGRRI-JTQLQIEISA-N 0 3 247.339 0.592 20 0 BCADHN CC[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)O ZINC000836863280 587840304 /nfs/dbraw/zinc/84/03/04/587840304.db2.gz WPYOHCIVAPGFCD-VHSXEESVSA-N 0 3 228.336 0.746 20 0 BCADHN CC[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)O ZINC000836863278 587840465 /nfs/dbraw/zinc/84/04/65/587840465.db2.gz WPYOHCIVAPGFCD-NXEZZACHSA-N 0 3 228.336 0.746 20 0 BCADHN CN(C)C1(C(=O)NC[C@H](O)C2CCC2)CCC1 ZINC000837113588 587854906 /nfs/dbraw/zinc/85/49/06/587854906.db2.gz GCQJOCFOMINDDQ-NSHDSACASA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@@H](CO)C(=O)NCCN1CCCC1(C)C ZINC000837173991 587857813 /nfs/dbraw/zinc/85/78/13/587857813.db2.gz BCLZGANFUAJEGL-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CN(C)CC(C)(C)NC(=O)C1=COCC1 ZINC000837239095 587860483 /nfs/dbraw/zinc/86/04/83/587860483.db2.gz IJYWTJISRPJVMV-UHFFFAOYSA-N 0 3 212.293 0.747 20 0 BCADHN CO[C@H](CNC(=S)NCCN(C)C)C1CC1 ZINC000840759599 587920128 /nfs/dbraw/zinc/92/01/28/587920128.db2.gz ZNQCZQZPPFABCV-SNVBAGLBSA-N 0 3 245.392 0.437 20 0 BCADHN COCCNC(=O)C1(N[C@H]2CC[C@H]2C)CC1 ZINC000840822458 587923119 /nfs/dbraw/zinc/92/31/19/587923119.db2.gz NTCWTJZPVWGXNY-ZJUUUORDSA-N 0 3 226.320 0.670 20 0 BCADHN CN(C)CCNC(=S)N[C@@H]1COCC1(C)C ZINC000840814946 587923297 /nfs/dbraw/zinc/92/32/97/587923297.db2.gz XEINGZOJIRUTLM-SECBINFHSA-N 0 3 245.392 0.437 20 0 BCADHN CN(C)C(=O)C1(NC[C@@H]2CCC=CO2)CC1 ZINC000840956697 587931897 /nfs/dbraw/zinc/93/18/97/587931897.db2.gz CHKIKLOETNFTLZ-JTQLQIEISA-N 0 3 224.304 0.890 20 0 BCADHN C[C@H]1CSC[C@H]1NCCS(=O)(=O)C1CC1 ZINC000840966287 587932341 /nfs/dbraw/zinc/93/23/41/587932341.db2.gz NTZXIYVDKLHXTQ-WCBMZHEXSA-N 0 3 249.401 0.905 20 0 BCADHN CN(C)C1(CNC(=O)C2=COCCC2)CC1 ZINC000841453215 587955103 /nfs/dbraw/zinc/95/51/03/587955103.db2.gz OELGICFDVCWEMI-UHFFFAOYSA-N 0 3 224.304 0.891 20 0 BCADHN CN(C)C1(CNC(=O)C2=COCC2)CC1 ZINC000841453578 587955236 /nfs/dbraw/zinc/95/52/36/587955236.db2.gz SSAVRHYVIWVTMX-UHFFFAOYSA-N 0 3 210.277 0.501 20 0 BCADHN CN(C)C1(CNC(=O)C(C)(F)F)CC1 ZINC000841454815 587955479 /nfs/dbraw/zinc/95/54/79/587955479.db2.gz IVGJFTSTTYKYSY-UHFFFAOYSA-N 0 3 206.236 0.852 20 0 BCADHN CCCCCCNC(=O)NC[C@H]1CNCCO1 ZINC000841611472 587959510 /nfs/dbraw/zinc/95/95/10/587959510.db2.gz SMAOQCLAIAYRRS-LLVKDONJSA-N 0 3 243.351 0.854 20 0 BCADHN Nc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)c([O-])c1 ZINC000841846402 587977159 /nfs/dbraw/zinc/97/71/59/587977159.db2.gz QQSCVKQOLDDPJS-SECBINFHSA-N 0 3 249.314 0.704 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCNCC1(C)C ZINC000841849135 587977925 /nfs/dbraw/zinc/97/79/25/587977925.db2.gz WFTLGIXVVSONIU-SECBINFHSA-N 0 3 225.336 0.337 20 0 BCADHN NCc1cccc(C(=O)NCC(F)(F)CN)c1 ZINC000841849678 587978045 /nfs/dbraw/zinc/97/80/45/587978045.db2.gz GNXXJLNUXBWWNV-UHFFFAOYSA-N 0 3 243.257 0.469 20 0 BCADHN C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000841851525 587978314 /nfs/dbraw/zinc/97/83/14/587978314.db2.gz MAWQMFLLVJMNQE-LDYMZIIASA-N 0 3 249.314 0.702 20 0 BCADHN C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000841851521 587978379 /nfs/dbraw/zinc/97/83/79/587978379.db2.gz MAWQMFLLVJMNQE-KWQFWETISA-N 0 3 249.314 0.702 20 0 BCADHN CSCCONC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000841889536 587979959 /nfs/dbraw/zinc/97/99/59/587979959.db2.gz CCRVCMDOEJJTOA-DTWKUNHWSA-N 0 3 247.364 0.673 20 0 BCADHN Cc1cc(CN2CC[C@H]3CN(C)C[C@@H]32)n(C)n1 ZINC000841888952 587981502 /nfs/dbraw/zinc/98/15/02/587981502.db2.gz LKNKLBUQVUUICH-AAEUAGOBSA-N 0 3 234.347 0.864 20 0 BCADHN O=C(NOCC1CC1)N[C@H]1CNCCC1(F)F ZINC000841907490 587983175 /nfs/dbraw/zinc/98/31/75/587983175.db2.gz NXVXSXYKGLNLQA-QMMMGPOBSA-N 0 3 249.261 0.624 20 0 BCADHN CC[C@H](COC(=O)C1CCCN(C)C1=O)OC ZINC000842102195 588000031 /nfs/dbraw/zinc/00/00/31/588000031.db2.gz KTVBERZQSRMURS-ZJUUUORDSA-N 0 3 243.303 0.823 20 0 BCADHN C[C@H](CN)N(C)C(=O)C(=O)NCCC1CCC1 ZINC000842154524 588003525 /nfs/dbraw/zinc/00/35/25/588003525.db2.gz UNWVRAOZCMPBFL-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN CC[C@H](CNC1(C(N)=O)CCCC1)OC ZINC000842152892 588004044 /nfs/dbraw/zinc/00/40/44/588004044.db2.gz KBFKHNOVSZVTBD-SECBINFHSA-N 0 3 214.309 0.799 20 0 BCADHN CCCCC[C@H](C)NC(=O)C(=O)N[C@H](C)CN ZINC000842221091 588007436 /nfs/dbraw/zinc/00/74/36/588007436.db2.gz PEFVAMUJOCRDMM-VHSXEESVSA-N 0 3 243.351 0.535 20 0 BCADHN CCCCCCNC(=O)C(=O)N(C)[C@@H](C)CN ZINC000842212595 588007704 /nfs/dbraw/zinc/00/77/04/588007704.db2.gz CFFIGYNUTWLAIO-JTQLQIEISA-N 0 3 243.351 0.489 20 0 BCADHN CSc1cnc(N2CCN[C@H](C)C2)nc1 ZINC000842274794 588011046 /nfs/dbraw/zinc/01/10/46/588011046.db2.gz GMXLBGXMOBFXNZ-MRVPVSSYSA-N 0 3 224.333 0.997 20 0 BCADHN Cc1cc(C(=O)NC[C@H]2CNCCO2)ccc1N ZINC000842511389 588032467 /nfs/dbraw/zinc/03/24/67/588032467.db2.gz XYFYHGLBSKLDAU-LLVKDONJSA-N 0 3 249.314 0.295 20 0 BCADHN CC(C)Cn1nccc1CNCCn1cncn1 ZINC000842673832 588051030 /nfs/dbraw/zinc/05/10/30/588051030.db2.gz FFGQLIVHBDYXQP-UHFFFAOYSA-N 0 3 248.334 0.920 20 0 BCADHN COC(=O)N1CC(N[C@H]2CO[C@H](C)C2)C1 ZINC000842691260 588052754 /nfs/dbraw/zinc/05/27/54/588052754.db2.gz DOPHHJDLZVRYOO-HTQZYQBOSA-N 0 3 214.265 0.204 20 0 BCADHN COc1ncncc1CNC[C@@H](C)CCO ZINC000842689593 588053074 /nfs/dbraw/zinc/05/30/74/588053074.db2.gz ASPAJAKSNBCNEH-VIFPVBQESA-N 0 3 225.292 0.593 20 0 BCADHN C[C@H]1C[C@@H]1N1C[C@H](N[C@@H]2CO[C@H](C)C2)CC1=O ZINC000842690274 588053127 /nfs/dbraw/zinc/05/31/27/588053127.db2.gz RAFLKBYYPCSRHJ-KNZXXDILSA-N 0 3 238.331 0.763 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CCC[C@H](OC)C1 ZINC000842769211 588061381 /nfs/dbraw/zinc/06/13/81/588061381.db2.gz MFONDULYOWGIMI-MNOVXSKESA-N 0 3 244.335 0.944 20 0 BCADHN CCN(OC)C(=O)CN[C@@H](C)C1CC1 ZINC000842769036 588061583 /nfs/dbraw/zinc/06/15/83/588061583.db2.gz GKBSDTIEUGJHBQ-QMMMGPOBSA-N 0 3 200.282 0.784 20 0 BCADHN CCN(OC)C(=O)CNCC1=CCCOC1 ZINC000842769736 588061712 /nfs/dbraw/zinc/06/17/12/588061712.db2.gz SXXXTDJBWQVGOI-UHFFFAOYSA-N 0 3 228.292 0.333 20 0 BCADHN Cc1nccnc1[C@@H](C)NCCc1cn(C)nn1 ZINC000842893876 588070919 /nfs/dbraw/zinc/07/09/19/588070919.db2.gz GGDXAELFKVCRBD-SECBINFHSA-N 0 3 246.318 0.807 20 0 BCADHN CC(C)CS(=O)(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000867308463 588071086 /nfs/dbraw/zinc/07/10/86/588071086.db2.gz JYRJLSBSVAWYML-MNOVXSKESA-N 0 3 248.392 0.997 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNCCS(=O)(=O)CC ZINC000843073089 588076968 /nfs/dbraw/zinc/07/69/68/588076968.db2.gz FYILWDNOTKHZLT-ZJUUUORDSA-N 0 3 237.365 0.418 20 0 BCADHN CN(C)CCCS(=O)(=O)N1CC2(CC2)C1 ZINC000867317150 588076431 /nfs/dbraw/zinc/07/64/31/588076431.db2.gz JGZFLCVZRBNTFT-UHFFFAOYSA-N 0 3 232.349 0.364 20 0 BCADHN Cc1cc(C)cc([C@@H](O)CNC[C@H](O)CO)c1 ZINC000843063691 588078448 /nfs/dbraw/zinc/07/84/48/588078448.db2.gz VQFINEAVUIQTHU-STQMWFEESA-N 0 3 239.315 0.280 20 0 BCADHN COC[C@H](CO)NC[C@@H](O)c1ccc(C)cc1 ZINC000843079355 588080083 /nfs/dbraw/zinc/08/00/83/588080083.db2.gz WVWLEWTYXIZEIC-QWHCGFSZSA-N 0 3 239.315 0.625 20 0 BCADHN O[C@H](CN[C@@H]1C[C@H](O)C1)c1ccccc1 ZINC000843087343 588080504 /nfs/dbraw/zinc/08/05/04/588080504.db2.gz DMUKYXBFORVYJO-GRYCIOLGSA-N 0 3 207.273 0.833 20 0 BCADHN CC[C@@H](C[C@H](C)CO)NCCS(C)(=O)=O ZINC000843097918 588081291 /nfs/dbraw/zinc/08/12/91/588081291.db2.gz IDWCZVHRXREYAI-UWVGGRQHSA-N 0 3 237.365 0.418 20 0 BCADHN O[C@H](CN[C@@H]1CC[C@H]1O)c1ccc(F)cc1 ZINC000843114374 588082092 /nfs/dbraw/zinc/08/20/92/588082092.db2.gz FNFPJXSJGBHYJY-IJLUTSLNSA-N 0 3 225.263 0.972 20 0 BCADHN O[C@@H]1c2ccccc2OC[C@H]1NCC1(O)CCC1 ZINC000843117190 588082778 /nfs/dbraw/zinc/08/27/78/588082778.db2.gz OYZKRXTUCFANMI-DGCLKSJQSA-N 0 3 249.310 0.986 20 0 BCADHN C[C@H](O)CN[C@H]1COc2ccccc2[C@H]1O ZINC000843115839 588082798 /nfs/dbraw/zinc/08/27/98/588082798.db2.gz JXCWLYQHJCUBJP-PTOFAABTSA-N 0 3 223.272 0.451 20 0 BCADHN CC[C@@H](NCCS(C)(=O)=O)[C@H](O)C(F)F ZINC000843116215 588082862 /nfs/dbraw/zinc/08/28/62/588082862.db2.gz VSYJTRDUGFUADU-RQJHMYQMSA-N 0 3 245.291 0.025 20 0 BCADHN Cc1ccccc1[C@H](O)CN[C@@H]1COC[C@H]1O ZINC000843117427 588083020 /nfs/dbraw/zinc/08/30/20/588083020.db2.gz PVLTWAJJXVSZNW-JHJVBQTASA-N 0 3 237.299 0.378 20 0 BCADHN C[C@@H](O)CN(Cc1ccc(N)nc1)[C@H](C)CO ZINC000843119381 588083072 /nfs/dbraw/zinc/08/30/72/588083072.db2.gz LBNZQPDBCVCJEL-NXEZZACHSA-N 0 3 239.319 0.227 20 0 BCADHN CC(C)(CO)[C@H](NCCS(C)(=O)=O)C1CC1 ZINC000843119785 588083320 /nfs/dbraw/zinc/08/33/20/588083320.db2.gz WSJDYVBDZSBQGX-SNVBAGLBSA-N 0 3 249.376 0.418 20 0 BCADHN C[C@@H](C[NH3+])N(C)C(=O)c1ccc(N)cc1[O-] ZINC000843344954 588102017 /nfs/dbraw/zinc/10/20/17/588102017.db2.gz IGYQZQZGWOPCAV-ZETCQYMHSA-N 0 3 223.276 0.394 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)[C@@H]1CCCOC1 ZINC000843431157 588106216 /nfs/dbraw/zinc/10/62/16/588106216.db2.gz XONMWZIWMLXVOE-GHMZBOCLSA-N 0 3 244.335 0.801 20 0 BCADHN CCNCC(=O)N[C@@H](C)COCC(F)(F)F ZINC000843408311 588106864 /nfs/dbraw/zinc/10/68/64/588106864.db2.gz YNCNRURUVCOAQR-ZETCQYMHSA-N 0 3 242.241 0.680 20 0 BCADHN CC1(C(N)=O)CN(C[C@H]2CCC=CO2)C1 ZINC000843415035 588107346 /nfs/dbraw/zinc/10/73/46/588107346.db2.gz AIMRFKUEGNKIFT-SECBINFHSA-N 0 3 210.277 0.486 20 0 BCADHN CCCN(Cc1cnn(C)n1)[C@H]1CCN(C)C1 ZINC000843422621 588108035 /nfs/dbraw/zinc/10/80/35/588108035.db2.gz PAGCPGWXOYGFLY-LBPRGKRZSA-N 0 3 237.351 0.731 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)Cn1cccn1 ZINC000843431269 588109329 /nfs/dbraw/zinc/10/93/29/588109329.db2.gz YYUZGCWEWCYTNK-SNVBAGLBSA-N 0 3 240.307 0.271 20 0 BCADHN CCNCC(=O)NC(C)(C)CCC(=O)OC ZINC000843439605 588110088 /nfs/dbraw/zinc/11/00/88/588110088.db2.gz MKQTYMHLQVQRQV-UHFFFAOYSA-N 0 3 230.308 0.444 20 0 BCADHN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CN ZINC000843438180 588110172 /nfs/dbraw/zinc/11/01/72/588110172.db2.gz HXHYHHCABYEOGK-JTQLQIEISA-N 0 3 220.276 0.237 20 0 BCADHN CCNCC(=O)NC[C@@H](O)c1ccccc1C ZINC000843439129 588110417 /nfs/dbraw/zinc/11/04/17/588110417.db2.gz YWDLHAMOVYJTQM-GFCCVEGCSA-N 0 3 236.315 0.754 20 0 BCADHN CCNCC(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000843443726 588110775 /nfs/dbraw/zinc/11/07/75/588110775.db2.gz NAJZUHWHKSCOPQ-CMPLNLGQSA-N 0 3 228.336 0.653 20 0 BCADHN CCNCC(=O)Nc1cnn(CC(F)F)c1 ZINC000843442234 588110779 /nfs/dbraw/zinc/11/07/79/588110779.db2.gz LPIQJCJYBNOAGW-UHFFFAOYSA-N 0 3 232.234 0.696 20 0 BCADHN CCNCC(=O)NC[C@@H](CC(C)C)C(=O)OC ZINC000843444079 588110860 /nfs/dbraw/zinc/11/08/60/588110860.db2.gz GYOFJAHATZVGHL-SNVBAGLBSA-N 0 3 244.335 0.547 20 0 BCADHN Cc1nonc1CNC(=O)[C@H]1CCCCN1 ZINC000843441930 588111033 /nfs/dbraw/zinc/11/10/33/588111033.db2.gz PYBLGBBMDYPWNF-MRVPVSSYSA-N 0 3 224.264 0.136 20 0 BCADHN COC(=O)CC(C)(C)NC(=O)[C@]1(F)CCNC1 ZINC000843441092 588111109 /nfs/dbraw/zinc/11/11/09/588111109.db2.gz UPOOHINUBSRHDC-NSHDSACASA-N 0 3 246.282 0.146 20 0 BCADHN CCOC(=O)[C@H](CC1CC1)NC(=O)[C@@H](C)N ZINC000843449205 588111532 /nfs/dbraw/zinc/11/15/32/588111532.db2.gz YINACOIWIDVKOA-APPZFPTMSA-N 0 3 228.292 0.182 20 0 BCADHN CCNCC(=O)N[C@H](CC(=O)OC)C1CC1 ZINC000843447468 588111539 /nfs/dbraw/zinc/11/15/39/588111539.db2.gz AIBXISZWEZDRPU-SECBINFHSA-N 0 3 228.292 0.054 20 0 BCADHN CS/C=C/C(=O)N[C@@H]1CNCCC1(F)F ZINC000843482982 588114427 /nfs/dbraw/zinc/11/44/27/588114427.db2.gz FKNVWGWVEWYDKN-AJCRVFRXSA-N 0 3 236.287 0.977 20 0 BCADHN O=C(Nc1ccc2nncn2c1)[C@@]1(F)CCNC1 ZINC000843489316 588114792 /nfs/dbraw/zinc/11/47/92/588114792.db2.gz BGMKPEMHRNFCPQ-LLVKDONJSA-N 0 3 249.249 0.369 20 0 BCADHN CCNCC(=O)NCCc1ccccc1O ZINC000843488613 588114854 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232.324 0.698 20 0 BCADHN O=C(N1CC[C@]2(CC2(F)F)C1)[C@@]1(F)CCNC1 ZINC000846701078 588283557 /nfs/dbraw/zinc/28/35/57/588283557.db2.gz PUUGLIUYOHEQBV-VHSXEESVSA-N 0 3 248.248 0.946 20 0 BCADHN CCN1C[C@H](CN2CCCN(C)CC2)OC1=O ZINC000846768756 588287110 /nfs/dbraw/zinc/28/71/10/588287110.db2.gz REJLZEAKZWRTIE-NSHDSACASA-N 0 3 241.335 0.465 20 0 BCADHN CCN1C[C@@H](CN(C)CCCOC)OC1=O ZINC000846778006 588287694 /nfs/dbraw/zinc/28/76/94/588287694.db2.gz DQNUFZFHOZXREH-SNVBAGLBSA-N 0 3 230.308 0.795 20 0 BCADHN CCN(CCOC)C[C@H]1CN(CC)C(=O)O1 ZINC000846783859 588287900 /nfs/dbraw/zinc/28/79/00/588287900.db2.gz RQARHAAPACMUKI-JTQLQIEISA-N 0 3 230.308 0.795 20 0 BCADHN Cn1cncc1CCCN1CCCNC(=O)C1 ZINC000846795899 588289011 /nfs/dbraw/zinc/28/90/11/588289011.db2.gz ZLKMTDWQPSXAGW-UHFFFAOYSA-N 0 3 236.319 0.175 20 0 BCADHN CCN1C[C@H](CN2CC[C@H](COC)C2)OC1=O ZINC000846808081 588289828 /nfs/dbraw/zinc/28/98/28/588289828.db2.gz VHWKJHKCZLFJMU-QWRGUYRKSA-N 0 3 242.319 0.795 20 0 BCADHN CCN1C[C@H](CN(C)C[C@H]2CCOC2)OC1=O ZINC000846809785 588290328 /nfs/dbraw/zinc/29/03/28/588290328.db2.gz AVEKKKVJQNGKFR-MNOVXSKESA-N 0 3 242.319 0.795 20 0 BCADHN CN1C[C@H]2CCN(Cc3cnsn3)[C@H]2C1 ZINC000846919797 588296978 /nfs/dbraw/zinc/29/69/78/588296978.db2.gz RUOBWEPOYNHWMC-SCZZXKLOSA-N 0 3 224.333 0.674 20 0 BCADHN CON1CCN(C[C@H]2CCNC(=O)CC2)CC1 ZINC000846972878 588299049 /nfs/dbraw/zinc/29/90/49/588299049.db2.gz TYHJGSJEDZYEQD-LLVKDONJSA-N 0 3 241.335 0.082 20 0 BCADHN CCN1C[C@H](CN2CC[C@@H](O)[C@H]2C)OC1=O ZINC000846977796 588300079 /nfs/dbraw/zinc/30/00/79/588300079.db2.gz ZVCYDQQLSSRNMW-OPRDCNLKSA-N 0 3 228.292 0.282 20 0 BCADHN NC(=O)[C@]1(NCCc2cccs2)CCOC1 ZINC000847051787 588304947 /nfs/dbraw/zinc/30/49/47/588304947.db2.gz IVZHFDSKCLNRGM-NSHDSACASA-N 0 3 240.328 0.525 20 0 BCADHN CC[C@@H](NCCS(C)(=O)=O)[C@H]1CCCCO1 ZINC000847090147 588306114 /nfs/dbraw/zinc/30/61/14/588306114.db2.gz OKRDBCJGBPCJOL-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN Cc1[nH]c(=O)[nH]c1C(=O)NCCN1CCCC1 ZINC000847301117 588310509 /nfs/dbraw/zinc/31/05/09/588310509.db2.gz SEBRRXYYJNOCSC-UHFFFAOYSA-N 0 3 238.291 0.249 20 0 BCADHN C[C@H]1CCN(CC(=O)NCCCCCCO)C1 ZINC000847661753 588324603 /nfs/dbraw/zinc/32/46/03/588324603.db2.gz FHWVRXUYRZKLQA-LBPRGKRZSA-N 0 3 242.363 0.997 20 0 BCADHN CC[C@H](C(=O)NCCCOCOC)N(C)C ZINC000848169962 588364319 /nfs/dbraw/zinc/36/43/19/588364319.db2.gz XKGJMNYJVWZIPS-SNVBAGLBSA-N 0 3 232.324 0.453 20 0 BCADHN CC/C(C)=C\C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848307262 588371458 /nfs/dbraw/zinc/37/14/58/588371458.db2.gz SPGDARAEQLGDTG-RPGNDLBOSA-N 0 3 238.331 0.620 20 0 BCADHN C/C=C(\C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306561 588371623 /nfs/dbraw/zinc/37/16/23/588371623.db2.gz SQIWSPCTFOICOK-WSAUGYEQSA-N 0 3 224.304 0.230 20 0 BCADHN CC[C@@](C)(CC(=O)OC)NC(=O)[C@H](C)NC ZINC000848406386 588374584 /nfs/dbraw/zinc/37/45/84/588374584.db2.gz MYIMWMJJRKNMBC-KWQFWETISA-N 0 3 230.308 0.442 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@H](C)NC ZINC000848399488 588377473 /nfs/dbraw/zinc/37/74/73/588377473.db2.gz QEBXXQCQMYGNTJ-QMMMGPOBSA-N 0 3 216.281 0.054 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)C(=O)OC1CCCC1 ZINC000848404859 588378234 /nfs/dbraw/zinc/37/82/34/588378234.db2.gz RLWPIIUDAJIECY-IUCAKERBSA-N 0 3 242.319 0.585 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CCCc2nc(C)ncc21 ZINC000848401147 588378326 /nfs/dbraw/zinc/37/83/26/588378326.db2.gz VBOXSWANVJYQIP-QPUJVOFHSA-N 0 3 248.330 0.887 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000848429638 588383646 /nfs/dbraw/zinc/38/36/46/588383646.db2.gz UHFBVEZKKPZAPM-DTWKUNHWSA-N 0 3 222.292 0.681 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@](C)(O)c1ccsc1 ZINC000848431220 588384141 /nfs/dbraw/zinc/38/41/41/588384141.db2.gz UKHVGBIEISHPCL-KWQFWETISA-N 0 3 242.344 0.680 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000848432555 588384380 /nfs/dbraw/zinc/38/43/80/588384380.db2.gz JMYRVRGYNLONJJ-GRYCIOLGSA-N 0 3 238.331 0.894 20 0 BCADHN CCNCC(=O)N(C)[C@@H](C)c1nc(C)no1 ZINC000848435997 588384788 /nfs/dbraw/zinc/38/47/88/588384788.db2.gz CETVSWZQAZATSQ-ZETCQYMHSA-N 0 3 226.280 0.507 20 0 BCADHN CCCCOC(=O)C(C)(C)NC(=O)CN ZINC000848437448 588384974 /nfs/dbraw/zinc/38/49/74/588384974.db2.gz QGTSHXUPMXCBIL-UHFFFAOYSA-N 0 3 216.281 0.183 20 0 BCADHN CCC1(C(=O)N[C@H](CN)C(F)(F)F)COC1 ZINC000848437536 588385073 /nfs/dbraw/zinc/38/50/73/588385073.db2.gz AFOIVGCIVGNJAL-ZCFIWIBFSA-N 0 3 240.225 0.419 20 0 BCADHN CC[C@@H](CO)NCc1cnc(Cl)n1C ZINC000848524134 588392407 /nfs/dbraw/zinc/39/24/07/588392407.db2.gz APRZJDRLWZMEFS-ZETCQYMHSA-N 0 3 217.700 0.934 20 0 BCADHN Cn1c(CNC[C@H]2COCCO2)cnc1Cl ZINC000848531190 588393088 /nfs/dbraw/zinc/39/30/88/588393088.db2.gz OQXGCMKHXTUERM-VIFPVBQESA-N 0 3 245.710 0.579 20 0 BCADHN Cn1c(Cl)ncc1CNCCn1cncn1 ZINC000848531460 588393504 /nfs/dbraw/zinc/39/35/04/588393504.db2.gz ORRQQGMWOXPHJA-UHFFFAOYSA-N 0 3 240.698 0.455 20 0 BCADHN CC[C@H](COC)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848572584 588398846 /nfs/dbraw/zinc/39/88/46/588398846.db2.gz UQJFPZSANKYJPT-MWLCHTKSSA-N 0 3 242.319 0.984 20 0 BCADHN C[C@@H](O)CN(C(=S)NCCN(C)C)C1CC1 ZINC000848655579 588403922 /nfs/dbraw/zinc/40/39/22/588403922.db2.gz AIFYUJAAAYDYHO-SECBINFHSA-N 0 3 245.392 0.268 20 0 BCADHN CC[C@@H](O)CNC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848678319 588404875 /nfs/dbraw/zinc/40/48/75/588404875.db2.gz KYBVMBHOEQSPFO-ZJUUUORDSA-N 0 3 228.292 0.330 20 0 BCADHN CCN(C)C[C@H](O)CSc1cccc[n+]1[O-] ZINC000848675312 588405009 /nfs/dbraw/zinc/40/50/09/588405009.db2.gz WUPXKZUQVUUQER-JTQLQIEISA-N 0 3 242.344 0.725 20 0 BCADHN CN(C)CCCOC(=O)[C@H]1CCCS1(=O)=O ZINC000848857016 588415569 /nfs/dbraw/zinc/41/55/69/588415569.db2.gz QXIRVDGJXKGTNE-SECBINFHSA-N 0 3 249.332 0.059 20 0 BCADHN COC(=O)/C=C\c1ccc(CN[C@@H](C)CO)o1 ZINC000848898683 588417518 /nfs/dbraw/zinc/41/75/18/588417518.db2.gz XCIJCUNDYMQATB-UDIARPCQSA-N 0 3 239.271 0.936 20 0 BCADHN COC(=O)/C=C\c1ccc(CN[C@H](C)CO)o1 ZINC000848895750 588417993 /nfs/dbraw/zinc/41/79/93/588417993.db2.gz XCIJCUNDYMQATB-SSJHQANKSA-N 0 3 239.271 0.936 20 0 BCADHN COC(=O)/C=C\c1ccc(CNC[C@H](C)O)o1 ZINC000848898552 588418082 /nfs/dbraw/zinc/41/80/82/588418082.db2.gz DYXPPZSYCIMEDN-UDIARPCQSA-N 0 3 239.271 0.936 20 0 BCADHN O=C1O[C@@H](CNC2CSC2)CN1C1CC1 ZINC000848928698 588421963 /nfs/dbraw/zinc/42/19/63/588421963.db2.gz KYPLDDKCERKLMJ-VIFPVBQESA-N 0 3 228.317 0.675 20 0 BCADHN N=C(NCCO)Nc1cc(F)ccc1F ZINC000849079593 588452166 /nfs/dbraw/zinc/45/21/66/588452166.db2.gz FFQVKGIOKZBBLH-UHFFFAOYSA-N 0 3 215.203 0.893 20 0 BCADHN Cc1nccn1Cc1cn(CCN(C)C)nn1 ZINC000849136521 588453704 /nfs/dbraw/zinc/45/37/04/588453704.db2.gz HQFFGQRRGMUGNC-UHFFFAOYSA-N 0 3 234.307 0.393 20 0 BCADHN CN(C)CCn1cc([C@@H](O)C2CC2)nn1 ZINC000849136566 588453909 /nfs/dbraw/zinc/45/39/09/588453909.db2.gz JWMKQHMIWRAUNS-JTQLQIEISA-N 0 3 210.281 0.283 20 0 BCADHN C[C@@H](O)CCCc1cn(CCN(C)C)nn1 ZINC000849138031 588454247 /nfs/dbraw/zinc/45/42/47/588454247.db2.gz WTTHWCBRZIHADZ-SNVBAGLBSA-N 0 3 226.324 0.543 20 0 BCADHN CN(C)CCc1cn(CCCCCCO)nn1 ZINC000849146917 588455919 /nfs/dbraw/zinc/45/59/19/588455919.db2.gz YTWGMNDSHFSNIT-UHFFFAOYSA-N 0 3 240.351 0.935 20 0 BCADHN Cc1cc(-n2cc([C@H](C)N)nn2)n(C)n1 ZINC000849154192 588456769 /nfs/dbraw/zinc/45/67/69/588456769.db2.gz OPYRMWQVOUYYHI-ZETCQYMHSA-N 0 3 206.253 0.329 20 0 BCADHN Cc1cc(OC[C@@H]2CNCCO2)nnc1C ZINC000849240075 588464153 /nfs/dbraw/zinc/46/41/53/588464153.db2.gz DQXDLVPMFXFAGU-JTQLQIEISA-N 0 3 223.276 0.461 20 0 BCADHN CN1CCC[C@H]1CNC(=S)NCC1CC1 ZINC000849254362 588464986 /nfs/dbraw/zinc/46/49/86/588464986.db2.gz JQBDXNDOMYOLFU-JTQLQIEISA-N 0 3 227.377 0.955 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)N[C@H]3CCOC3)[C@@H]2C1 ZINC000849334439 588473486 /nfs/dbraw/zinc/47/34/86/588473486.db2.gz UTVFHDYZSZVSEW-GARJFASQSA-N 0 3 239.319 0.121 20 0 BCADHN CCN(CC)CC(=O)N1CCC2(C1)OCCO2 ZINC000108812409 588488270 /nfs/dbraw/zinc/48/82/70/588488270.db2.gz CCCWOMAFOPAZAA-UHFFFAOYSA-N 0 3 242.319 0.304 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1CC1CC=CC1 ZINC000849896466 588508612 /nfs/dbraw/zinc/50/86/12/588508612.db2.gz XPZSZCAUYGXHJR-MRVPVSSYSA-N 0 3 244.316 0.360 20 0 BCADHN c1ncn(CCNCc2cnn3c2CCC3)n1 ZINC000850088124 588519194 /nfs/dbraw/zinc/51/91/94/588519194.db2.gz KGKTXPDRASJEAZ-UHFFFAOYSA-N 0 3 232.291 0.211 20 0 BCADHN c1cc(CNCCn2cncn2)n(CC2CC2)n1 ZINC000850089432 588519315 /nfs/dbraw/zinc/51/93/15/588519315.db2.gz ZFRWOBNJKVNKLI-UHFFFAOYSA-N 0 3 246.318 0.674 20 0 BCADHN COc1cncc(CN[C@H](C)Cn2cncn2)c1 ZINC000850093984 588519709 /nfs/dbraw/zinc/51/97/09/588519709.db2.gz NMLBUVOBOJDTEO-SNVBAGLBSA-N 0 3 247.302 0.860 20 0 BCADHN OC[C@@H](NCc1cnn2c1CCC2)C1CC1 ZINC000850137685 588521402 /nfs/dbraw/zinc/52/14/02/588521402.db2.gz SHTOZXUUNYRLQZ-LLVKDONJSA-N 0 3 221.304 0.690 20 0 BCADHN C[S@](=O)CCCNCc1cnn2c1CCC2 ZINC000850138255 588521405 /nfs/dbraw/zinc/52/14/05/588521405.db2.gz BTFACIUXHWEUTM-INIZCTEOSA-N 0 3 241.360 0.688 20 0 BCADHN Cc1ncc(CN[C@H](CCO)C2CC2)n1C ZINC000850157854 588522353 /nfs/dbraw/zinc/52/23/53/588522353.db2.gz MVSRCDRJNSLVAX-GFCCVEGCSA-N 0 3 223.320 0.979 20 0 BCADHN Cn1nccc1CCNCc1cnn2c1CCC2 ZINC000850246419 588530600 /nfs/dbraw/zinc/53/06/00/588530600.db2.gz FFBNNPJUAGPFIJ-UHFFFAOYSA-N 0 3 245.330 0.895 20 0 BCADHN CC[C@H]1COC[C@H]1NCc1cnnn1CC ZINC000850383660 588542598 /nfs/dbraw/zinc/54/25/98/588542598.db2.gz SDUYQPUSMAJVKJ-GXSJLCMTSA-N 0 3 224.308 0.813 20 0 BCADHN OC[C@H](CNCc1cncnc1)CC1CC1 ZINC000850389391 588543541 /nfs/dbraw/zinc/54/35/41/588543541.db2.gz WFKRKHYHQRVJMG-NSHDSACASA-N 0 3 221.304 0.975 20 0 BCADHN CCN(CC)C(=O)CN[C@H](C)Cn1cncn1 ZINC000850427827 588544819 /nfs/dbraw/zinc/54/48/19/588544819.db2.gz DOQHWYQBABRSJB-SNVBAGLBSA-N 0 3 239.323 0.125 20 0 BCADHN COC(=O)N1CC(N[C@H](C)C2(OC)CCC2)C1 ZINC000850445473 588547164 /nfs/dbraw/zinc/54/71/64/588547164.db2.gz FAASXTKXNAQHKI-SECBINFHSA-N 0 3 242.319 0.984 20 0 BCADHN C[C@@H](Cn1cncn1)NCC1(C)OCCCO1 ZINC000850464987 588548352 /nfs/dbraw/zinc/54/83/52/588548352.db2.gz QWDGTAHCVBQIHX-JTQLQIEISA-N 0 3 240.307 0.409 20 0 BCADHN CON(C)CCN[C@@H]1CCCc2n[nH]cc21 ZINC000850478208 588549932 /nfs/dbraw/zinc/54/99/32/588549932.db2.gz PVUWRCDOFGUWAU-SNVBAGLBSA-N 0 3 224.308 0.870 20 0 BCADHN CCNCC(=O)Nc1cc(F)ccc1C(N)=O ZINC000851641221 588612585 /nfs/dbraw/zinc/61/25/85/588612585.db2.gz ICHFCDUDQZOQAK-UHFFFAOYSA-N 0 3 239.250 0.473 20 0 BCADHN CCNCC(=O)N[C@H](CC)COCC1CC1 ZINC000851642408 588612707 /nfs/dbraw/zinc/61/27/07/588612707.db2.gz ZWBYCGUYMPRXQA-LLVKDONJSA-N 0 3 228.336 0.917 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc(F)ccc1C(N)=O ZINC000851642187 588612838 /nfs/dbraw/zinc/61/28/38/588612838.db2.gz VXJWIPLIKFTDMW-LURJTMIESA-N 0 3 239.250 0.471 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCC1SCCS1 ZINC000851647122 588612886 /nfs/dbraw/zinc/61/28/86/588612886.db2.gz DMIBFWBLMMNHMT-NKWVEPMBSA-N 0 3 232.374 0.646 20 0 BCADHN CC1(C)[C@H](CNC(=O)[C@@H]2C[C@@H]2N)C1(F)F ZINC000851647969 588613209 /nfs/dbraw/zinc/61/32/09/588613209.db2.gz QUWPYRKIHQUUAX-VQVTYTSYSA-N 0 3 218.247 0.741 20 0 BCADHN C/C=C(\C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851648543 588613276 /nfs/dbraw/zinc/61/32/76/588613276.db2.gz KAWJDVFQKQOOIL-FWZCLXCUSA-N 0 3 200.257 0.850 20 0 BCADHN N[C@@H]1CN(C(=O)NOC2CCCC2)CC[C@H]1F ZINC000851659116 588613509 /nfs/dbraw/zinc/61/35/09/588613509.db2.gz OQHVUQVBRJHKFV-NXEZZACHSA-N 0 3 245.298 0.941 20 0 BCADHN O[C@@H](CN1CCC[C@H](O)C1)c1ccccn1 ZINC000851719171 588616621 /nfs/dbraw/zinc/61/66/21/588616621.db2.gz WIPVLCUNNVTQSK-JQWIXIFHSA-N 0 3 222.288 0.572 20 0 BCADHN CN1CCCN(C[C@H](O)c2ccccn2)CC1 ZINC000851720886 588617110 /nfs/dbraw/zinc/61/71/10/588617110.db2.gz VJCQLFOOMRCKLG-ZDUSSCGKSA-N 0 3 235.331 0.753 20 0 BCADHN CCN(CC(=O)N(C)C)[C@@H]1CC[C@@H](OC)C1 ZINC000851726016 588618098 /nfs/dbraw/zinc/61/80/98/588618098.db2.gz LBFJPLABVNBDLT-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN CC1(C)OC[C@@H](CN2CCN(C3CC3)CC2)O1 ZINC000851737784 588620696 /nfs/dbraw/zinc/62/06/96/588620696.db2.gz NSKJVVMDHYZYET-GFCCVEGCSA-N 0 3 240.347 0.918 20 0 BCADHN c1nonc1CN1CC[C@H](N2CCCC2)C1 ZINC000851747638 588622289 /nfs/dbraw/zinc/62/22/89/588622289.db2.gz HTVYUPFPEAZNFO-NSHDSACASA-N 0 3 222.292 0.740 20 0 BCADHN CCN1CCCN(Cc2cnon2)CC1 ZINC000851748075 588622380 /nfs/dbraw/zinc/62/23/80/588622380.db2.gz ZVGQECTVOGKUND-UHFFFAOYSA-N 0 3 210.281 0.597 20 0 BCADHN CCOC(=O)CCN(C)C[C@@H]1CCC(=O)O1 ZINC000851747471 588622526 /nfs/dbraw/zinc/62/25/26/588622526.db2.gz UKWMVZHDHPGIQQ-VIFPVBQESA-N 0 3 229.276 0.577 20 0 BCADHN CNC(=O)CCN(C)C[C@H](O)c1ccccn1 ZINC000851749061 588622780 /nfs/dbraw/zinc/62/27/80/588622780.db2.gz UQIBZXGMUDQVCH-NSHDSACASA-N 0 3 237.303 0.183 20 0 BCADHN OCC1(NCc2cccc(F)n2)CCOCC1 ZINC000851751854 588623074 /nfs/dbraw/zinc/62/30/74/588623074.db2.gz XJITZVGOZFHJDX-UHFFFAOYSA-N 0 3 240.278 0.852 20 0 BCADHN O=C1CC[C@@H](CN2CCC[C@H](CCO)C2)O1 ZINC000851752291 588623486 /nfs/dbraw/zinc/62/34/86/588623486.db2.gz FXIIUCUMCVQMPT-MNOVXSKESA-N 0 3 227.304 0.786 20 0 BCADHN C[C@H](Cn1cccn1)NC[C@@H](O)c1ccccn1 ZINC000851760904 588624054 /nfs/dbraw/zinc/62/40/54/588624054.db2.gz MTEHGQHEIBVZLI-DGCLKSJQSA-N 0 3 246.314 0.990 20 0 BCADHN C[C@H](Cn1cccn1)NC[C@H](O)c1ccccn1 ZINC000851760906 588624262 /nfs/dbraw/zinc/62/42/62/588624262.db2.gz MTEHGQHEIBVZLI-YPMHNXCESA-N 0 3 246.314 0.990 20 0 BCADHN CN(C[C@H]1COC(C)(C)O1)C(C)(C)CO ZINC000851776877 588626725 /nfs/dbraw/zinc/62/67/25/588626725.db2.gz CRAVQAZBYOPUPE-VIFPVBQESA-N 0 3 217.309 0.841 20 0 BCADHN CCN(CCCO)C[C@H]1CCC(=O)O1 ZINC000851792896 588629120 /nfs/dbraw/zinc/62/91/20/588629120.db2.gz TYJXSCUSGVLQLD-SECBINFHSA-N 0 3 201.266 0.396 20 0 BCADHN COC[C@@](C)(CCO)NC[C@H]1CCC(=O)O1 ZINC000851806828 588631181 /nfs/dbraw/zinc/63/11/81/588631181.db2.gz AIMCHDPOPZUNPM-MWLCHTKSSA-N 0 3 231.292 0.069 20 0 BCADHN C[C@H](O)[C@@H]1CCCN(C[C@@H]2CCC(=O)O2)C1 ZINC000851860253 588635729 /nfs/dbraw/zinc/63/57/29/588635729.db2.gz HQQNHAHYEBFZIH-AXFHLTTASA-N 0 3 227.304 0.785 20 0 BCADHN C[C@@H]1COCCCN1C[C@H]1CCC(=O)O1 ZINC000851860951 588635906 /nfs/dbraw/zinc/63/59/06/588635906.db2.gz LYWJYKZVLZJUSF-NXEZZACHSA-N 0 3 213.277 0.803 20 0 BCADHN CO[C@@H]1CC[C@H](N(C)[C@H]2CCNC2=O)C1 ZINC000851870228 588637047 /nfs/dbraw/zinc/63/70/47/588637047.db2.gz AZRJCKLRADJJNF-AEJSXWLSSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@@H]1[C@@H](C)N(C[C@@H]2CCC(=O)O2)CCN1C ZINC000851889827 588640792 /nfs/dbraw/zinc/64/07/92/588640792.db2.gz PNXBRHKNKOGYSV-MXWKQRLJSA-N 0 3 226.320 0.716 20 0 BCADHN CN(CCc1cnccn1)C[C@@H]1CCC(=O)O1 ZINC000851890501 588641158 /nfs/dbraw/zinc/64/11/58/588641158.db2.gz ZMMSKCJWLFUXNT-NSHDSACASA-N 0 3 235.287 0.657 20 0 BCADHN C[C@@H]1[C@@H](C)N(C[C@H]2CCC(=O)O2)CCN1C ZINC000851889826 588641194 /nfs/dbraw/zinc/64/11/94/588641194.db2.gz PNXBRHKNKOGYSV-GMTAPVOTSA-N 0 3 226.320 0.716 20 0 BCADHN C[C@@H]1CCOCCN1C[C@H]1CCC(=O)O1 ZINC000851907350 588642427 /nfs/dbraw/zinc/64/24/27/588642427.db2.gz TYUHWHWHZBAYGU-NXEZZACHSA-N 0 3 213.277 0.803 20 0 BCADHN COC(CCN1CCCC[C@]1(C)C(N)=O)OC ZINC000851933768 588645417 /nfs/dbraw/zinc/64/54/17/588645417.db2.gz AIIVUOCKNORXOU-GFCCVEGCSA-N 0 3 244.335 0.725 20 0 BCADHN CCN1CC[C@@H](N[C@H](CCO)C2CC2)C1=O ZINC000851933697 588645493 /nfs/dbraw/zinc/64/54/93/588645493.db2.gz UDDOUQCAKHDWEU-GHMZBOCLSA-N 0 3 226.320 0.358 20 0 BCADHN COC(CCN1CCCC[C@@]1(C)C(N)=O)OC ZINC000851933769 588645559 /nfs/dbraw/zinc/64/55/59/588645559.db2.gz AIIVUOCKNORXOU-LBPRGKRZSA-N 0 3 244.335 0.725 20 0 BCADHN C[C@]1(CO)CCCN1C[C@@H](O)c1ccccn1 ZINC000851935812 588645881 /nfs/dbraw/zinc/64/58/81/588645881.db2.gz HKZMFIBEUHYHRU-CHWSQXEVSA-N 0 3 236.315 0.962 20 0 BCADHN CN(C[C@H]1COC(C)(C)O1)CC1(O)CCC1 ZINC000851936966 588645932 /nfs/dbraw/zinc/64/59/32/588645932.db2.gz YUEHTXOEJWNJPB-JTQLQIEISA-N 0 3 229.320 0.985 20 0 BCADHN C[C@@]1(CO)CCCN1C[C@H](O)c1ccccn1 ZINC000851935821 588645979 /nfs/dbraw/zinc/64/59/79/588645979.db2.gz HKZMFIBEUHYHRU-STQMWFEESA-N 0 3 236.315 0.962 20 0 BCADHN COC(CCN1CCN2CCOC[C@H]2C1)OC ZINC000851935871 588646025 /nfs/dbraw/zinc/64/60/25/588646025.db2.gz SWEJEOWNFRGJCQ-LLVKDONJSA-N 0 3 244.335 0.012 20 0 BCADHN CN(CCN(C)C1CC1)C[C@H]1CCC(=O)O1 ZINC000851944843 588646833 /nfs/dbraw/zinc/64/68/33/588646833.db2.gz WCUQMUVZTLNLNL-LLVKDONJSA-N 0 3 226.320 0.718 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCN(CCO)[C@H](C)C2)C1 ZINC000851957784 588648134 /nfs/dbraw/zinc/64/81/34/588648134.db2.gz SPCSJNLNHHMQJB-FRRDWIJNSA-N 0 3 242.363 0.552 20 0 BCADHN COCCO[C@@H]1CCN(C[C@@H]2CCC(=O)O2)C1 ZINC000851965885 588648364 /nfs/dbraw/zinc/64/83/64/588648364.db2.gz WTIRPLKRCXFFFO-MNOVXSKESA-N 0 3 243.303 0.429 20 0 BCADHN CN(C[C@@H]1CCC(=O)O1)CC1(CO)CC1 ZINC000851967958 588648876 /nfs/dbraw/zinc/64/88/76/588648876.db2.gz HYOYXFIGEUNQMZ-VIFPVBQESA-N 0 3 213.277 0.396 20 0 BCADHN C[C@@H]1CC(O)C[C@@H](C)N1C[C@@H]1CCC(=O)O1 ZINC000851966887 588648921 /nfs/dbraw/zinc/64/89/21/588648921.db2.gz SRQTZWJWPISEBF-KKZNHRDASA-N 0 3 227.304 0.926 20 0 BCADHN COC(=O)[C@@H]1CCN(CCc2cn[nH]n2)[C@@H]1C ZINC000851975351 588649920 /nfs/dbraw/zinc/64/99/20/588649920.db2.gz QGCWVOWAWHAIRS-PSASIEDQSA-N 0 3 238.291 0.231 20 0 BCADHN C[C@H](CO)N(C[C@H](C)O)C[C@@H]1COC(C)(C)O1 ZINC000851972849 588650157 /nfs/dbraw/zinc/65/01/57/588650157.db2.gz SOMAJKDQKFIKLV-OUAUKWLOSA-N 0 3 247.335 0.202 20 0 BCADHN C[C@@H]1OCC[C@H]1N(CCO)C[C@@H]1CCC(=O)O1 ZINC000852002945 588654109 /nfs/dbraw/zinc/65/41/09/588654109.db2.gz GGEKZFNZWVAGQD-GARJFASQSA-N 0 3 243.303 0.164 20 0 BCADHN COC[C@H](C)NC[C@@H](O)c1ccccn1 ZINC000852019230 588655649 /nfs/dbraw/zinc/65/56/49/588655649.db2.gz VVQOQWOTRSFAON-GXSJLCMTSA-N 0 3 210.277 0.740 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CC[C@](F)(CO)C2)C1 ZINC000852019719 588655752 /nfs/dbraw/zinc/65/57/52/588655752.db2.gz FFVYPGHPCHFWJP-GMTAPVOTSA-N 0 3 217.284 0.960 20 0 BCADHN CC(C)[C@@](C)(NCCOC(F)F)C(N)=O ZINC000852039045 588656910 /nfs/dbraw/zinc/65/69/10/588656910.db2.gz BPXNBMRCSJFDCR-SECBINFHSA-N 0 3 224.251 0.715 20 0 BCADHN CCN1CCN(C[C@H]2CCC(=O)O2)[C@@H](C)C1 ZINC000852040634 588657019 /nfs/dbraw/zinc/65/70/19/588657019.db2.gz LJXOWYCZJXEASG-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN O=C1CC[C@@H](CN2CC[C@@H](n3cccn3)C2)O1 ZINC000852070255 588659444 /nfs/dbraw/zinc/65/94/44/588659444.db2.gz QXRWZUIIPOOUBW-MNOVXSKESA-N 0 3 235.287 0.836 20 0 BCADHN CCN(C[C@H](O)c1ccccn1)[C@H](C)CO ZINC000852075028 588659809 /nfs/dbraw/zinc/65/98/09/588659809.db2.gz HSFULHBNNIJNTF-PWSUYJOCSA-N 0 3 224.304 0.818 20 0 BCADHN CC1(C)OC[C@H](CN2C[C@H]3[C@H](CO)[C@H]3C2)O1 ZINC000852075030 588659823 /nfs/dbraw/zinc/65/98/23/588659823.db2.gz HSJOSGMEYLXDLK-UKKRHICBSA-N 0 3 227.304 0.308 20 0 BCADHN CN(C[C@H]1CCC(=O)O1)CC(C)(C)CO ZINC000852111864 588664523 /nfs/dbraw/zinc/66/45/23/588664523.db2.gz FUVMIXZGPWCMJN-SECBINFHSA-N 0 3 215.293 0.642 20 0 BCADHN O=C1NC(=O)[C@@H]2CN(Cc3ccsc3)C[C@H]12 ZINC000852137169 588666426 /nfs/dbraw/zinc/66/64/26/588666426.db2.gz KULGRJIFRCCJSR-DTORHVGOSA-N 0 3 236.296 0.453 20 0 BCADHN CC1(C)OC[C@@H](CCN2CCC[C@@H]2C(N)=O)O1 ZINC000852139134 588666476 /nfs/dbraw/zinc/66/64/76/588666476.db2.gz ZXKCYFPMYCRGRJ-NXEZZACHSA-N 0 3 242.319 0.478 20 0 BCADHN CC(C)N1CC[C@H](N(C)Cc2cnon2)C1 ZINC000852148735 588667091 /nfs/dbraw/zinc/66/70/91/588667091.db2.gz GSZZHPAYPLBPRO-NSHDSACASA-N 0 3 224.308 0.984 20 0 BCADHN CCN1CCCN(Cc2cnn(C)n2)[C@@H](C)C1 ZINC000852167073 588668812 /nfs/dbraw/zinc/66/88/12/588668812.db2.gz VNLWDKCFPZQIFZ-NSHDSACASA-N 0 3 237.351 0.731 20 0 BCADHN CN(C)C(=O)[C@H]1CCN(CCOC(F)F)C1 ZINC000852172385 588669331 /nfs/dbraw/zinc/66/93/31/588669331.db2.gz RVAZKCSXASRTAO-QMMMGPOBSA-N 0 3 236.262 0.636 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1C[C@H]1CCC(=O)O1 ZINC000852184004 588670097 /nfs/dbraw/zinc/67/00/97/588670097.db2.gz DKAZNBVYLWVFPI-KXUCPTDWSA-N 0 3 213.277 0.537 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@@H](O)c1ccccn1 ZINC000852184834 588670340 /nfs/dbraw/zinc/67/03/40/588670340.db2.gz QRMGCTZDQXXSFJ-NQBHXWOUSA-N 0 3 236.315 0.960 20 0 BCADHN CN(CCN1CCCCC1)Cc1cnon1 ZINC000852215603 588673347 /nfs/dbraw/zinc/67/33/47/588673347.db2.gz SNOJNJDINSECLD-UHFFFAOYSA-N 0 3 224.308 0.987 20 0 BCADHN C[C@H](O)CN(C[C@@H](O)c1ccccn1)C1CC1 ZINC000852218462 588673655 /nfs/dbraw/zinc/67/36/55/588673655.db2.gz IEKYRPBIQAOKHM-GXFFZTMASA-N 0 3 236.315 0.960 20 0 BCADHN C[C@@H](O)CN(C[C@H](O)c1ccccn1)C1CC1 ZINC000852218463 588673704 /nfs/dbraw/zinc/67/37/04/588673704.db2.gz IEKYRPBIQAOKHM-MFKMUULPSA-N 0 3 236.315 0.960 20 0 BCADHN CN(CC[C@H]1CCOC1=O)Cc1cnc[nH]1 ZINC000852287497 588674733 /nfs/dbraw/zinc/67/47/33/588674733.db2.gz ZBFYEAGWLFVPIT-VIFPVBQESA-N 0 3 223.276 0.795 20 0 BCADHN C[C@H](CO)CN1CC[C@@H](N2CCOC2=O)C1 ZINC000852436461 588682290 /nfs/dbraw/zinc/68/22/90/588682290.db2.gz ICZWLUKTHUKTGG-VHSXEESVSA-N 0 3 228.292 0.141 20 0 BCADHN COCCN(CCF)C[C@@H]1CCNC(=O)CC1 ZINC000852480408 588683755 /nfs/dbraw/zinc/68/37/55/588683755.db2.gz VNYXBOKZHBKEAB-NSHDSACASA-N 0 3 246.326 0.821 20 0 BCADHN CN(CCC1OCCO1)C[C@H]1COCCO1 ZINC000852494567 588685616 /nfs/dbraw/zinc/68/56/16/588685616.db2.gz DMSYOVKHDNNGSD-JTQLQIEISA-N 0 3 231.292 0.097 20 0 BCADHN CN(CCOC(F)F)C[C@H]1COCCO1 ZINC000852499130 588685678 /nfs/dbraw/zinc/68/56/78/588685678.db2.gz ZCPOLTBDAQHQAM-QMMMGPOBSA-N 0 3 225.235 0.573 20 0 BCADHN COC(CCN(C)C[C@@H]1COCCO1)OC ZINC000852498921 588685930 /nfs/dbraw/zinc/68/59/30/588685930.db2.gz SWKBRNKVODNXHC-SNVBAGLBSA-N 0 3 233.308 0.343 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@@H](C)C1O ZINC000852501094 588686209 /nfs/dbraw/zinc/68/62/09/588686209.db2.gz XIJYIWDWGFCUSZ-BBBLOLIVSA-N 0 3 227.304 0.641 20 0 BCADHN C[C@@]12COC[C@@H]1CN(CC1OCCO1)C2 ZINC000852533799 588688301 /nfs/dbraw/zinc/68/83/01/588688301.db2.gz DFRNBZWMWJUQIV-GXSJLCMTSA-N 0 3 213.277 0.328 20 0 BCADHN O=C(CCN1CC[C@@]2(O)C[C@H]2C1)N1CCCC1 ZINC000852538247 588689363 /nfs/dbraw/zinc/68/93/63/588689363.db2.gz VUXMLGQGUHBNQY-WCQYABFASA-N 0 3 238.331 0.456 20 0 BCADHN CC[C@@H]([NH2+]CCCOC(=O)N=C(N)[O-])C1CC1 ZINC000852554862 588689741 /nfs/dbraw/zinc/68/97/41/588689741.db2.gz DYMLBRIIXISUHN-SECBINFHSA-N 0 3 243.307 0.960 20 0 BCADHN CC[C@@H]([NH2+]CCCOC([O-])=NC(N)=O)C1CC1 ZINC000852554862 588689742 /nfs/dbraw/zinc/68/97/42/588689742.db2.gz DYMLBRIIXISUHN-SECBINFHSA-N 0 3 243.307 0.960 20 0 BCADHN CCN1C[C@H](CN2CCC[C@@H]2[C@@H](C)O)OC1=O ZINC000852559025 588690154 /nfs/dbraw/zinc/69/01/54/588690154.db2.gz NLFDZHTURSVLCJ-GMTAPVOTSA-N 0 3 242.319 0.672 20 0 BCADHN CCN1C[C@@H](CN2CCC[C@@H]2[C@H](C)O)OC1=O ZINC000852559017 588690167 /nfs/dbraw/zinc/69/01/67/588690167.db2.gz NLFDZHTURSVLCJ-GARJFASQSA-N 0 3 242.319 0.672 20 0 BCADHN COC(=O)/C(C)=C/CN1CCC[C@@H]1[C@H](C)O ZINC000852558751 588690433 /nfs/dbraw/zinc/69/04/33/588690433.db2.gz CUFINYIDBNCAJR-MXJKNTAJSA-N 0 3 227.304 0.951 20 0 BCADHN COC(=O)N(C)CCN(C)C[C@H](O)C1CC1 ZINC000852566457 588690761 /nfs/dbraw/zinc/69/07/61/588690761.db2.gz GSKDVCWNGJKQRC-JTQLQIEISA-N 0 3 230.308 0.387 20 0 BCADHN COC(=O)N(C)CCN(C)C[C@@H](O)C1CC1 ZINC000852566458 588690871 /nfs/dbraw/zinc/69/08/71/588690871.db2.gz GSKDVCWNGJKQRC-SNVBAGLBSA-N 0 3 230.308 0.387 20 0 BCADHN CCNC(=O)CCN(C)CCN(C)C(=O)OC ZINC000852571624 588690982 /nfs/dbraw/zinc/69/09/82/588690982.db2.gz YNHPGXJVUIVQDA-UHFFFAOYSA-N 0 3 245.323 0.143 20 0 BCADHN CN1CCN(CC2(O)CCCCC2)CCC1=O ZINC000852579712 588691630 /nfs/dbraw/zinc/69/16/30/588691630.db2.gz KQESYAUKAMAPLW-UHFFFAOYSA-N 0 3 240.347 0.846 20 0 BCADHN COC(=O)[C@@](C)(CCF)NCCN1CCCC1 ZINC000852576217 588691798 /nfs/dbraw/zinc/69/17/98/588691798.db2.gz CLYLHWSQPNNNHO-GFCCVEGCSA-N 0 3 246.326 0.963 20 0 BCADHN O=C1OCCN1CCN1CC[C@@H]2C[C@@H]2C1 ZINC000852633680 588693449 /nfs/dbraw/zinc/69/34/49/588693449.db2.gz CPMFSKRBUZQYRX-NXEZZACHSA-N 0 3 210.277 0.780 20 0 BCADHN O=C1CC[C@H](CN2CC[C@@H]3COC[C@@H]3C2)O1 ZINC000852664375 588694552 /nfs/dbraw/zinc/69/45/52/588694552.db2.gz FFXQOTHKBQXGTD-OUAUKWLOSA-N 0 3 225.288 0.660 20 0 BCADHN C(C1OCCO1)N1CC[C@H]2COC[C@H]2C1 ZINC000852666399 588694652 /nfs/dbraw/zinc/69/46/52/588694652.db2.gz RWYZNASEAWTGKR-VHSXEESVSA-N 0 3 213.277 0.328 20 0 BCADHN CC1(C)OC[C@@H](CN2CCC3(COC3)C2)O1 ZINC000852683922 588695423 /nfs/dbraw/zinc/69/54/23/588695423.db2.gz VURQSJHMNILUJQ-SNVBAGLBSA-N 0 3 227.304 0.860 20 0 BCADHN C[C@H]1CN(CC2OCCO2)C[C@@]1(C)CO ZINC000852704130 588696994 /nfs/dbraw/zinc/69/69/94/588696994.db2.gz TVDATHQDEAMHRE-ONGXEEELSA-N 0 3 215.293 0.310 20 0 BCADHN COC[C@H](CN1CCNC[C@H]1C(F)F)OC ZINC000852750154 588699941 /nfs/dbraw/zinc/69/99/41/588699941.db2.gz WVUDNEMTPFYOCH-IUCAKERBSA-N 0 3 238.278 0.187 20 0 BCADHN c1c[nH]c([C@@H]2CCCN2C[C@@H]2CNCCO2)n1 ZINC000852750387 588700037 /nfs/dbraw/zinc/70/00/37/588700037.db2.gz STVGZYNMZVOPPE-QWRGUYRKSA-N 0 3 236.319 0.535 20 0 BCADHN Cc1cnc(CN2CC[C@@H](F)[C@H](N)C2)cn1 ZINC000852761657 588700846 /nfs/dbraw/zinc/70/08/46/588700846.db2.gz ZBLRUGNBSLALDN-GHMZBOCLSA-N 0 3 224.283 0.656 20 0 BCADHN CCCNC(=O)[C@@H]1NCC12CCOCC2 ZINC000852771283 588701205 /nfs/dbraw/zinc/70/12/05/588701205.db2.gz CZSXFVDZYWHCII-VIFPVBQESA-N 0 3 212.293 0.281 20 0 BCADHN O=C(NC1CC1)[C@H]1NCC12CCOCC2 ZINC000852774396 588702049 /nfs/dbraw/zinc/70/20/49/588702049.db2.gz UQXMWRHCGQHIIX-SECBINFHSA-N 0 3 210.277 0.034 20 0 BCADHN O=C(NCC1CC1)[C@@H]1NCC12CCOCC2 ZINC000852784585 588702302 /nfs/dbraw/zinc/70/23/02/588702302.db2.gz OUWRVDHLXJVNEA-JTQLQIEISA-N 0 3 224.304 0.281 20 0 BCADHN NS(=O)(=O)CCN1CCC[C@@H]2CCCC[C@@H]21 ZINC000852786867 588702570 /nfs/dbraw/zinc/70/25/70/588702570.db2.gz FZPZANUFRSOGFH-QWRGUYRKSA-N 0 3 246.376 0.930 20 0 BCADHN CCC/C=C/C(=O)N1CCN(C)C[C@H]1CN ZINC000852797848 588703826 /nfs/dbraw/zinc/70/38/26/588703826.db2.gz CEZUZXLPBLOOFJ-MVIFTORASA-N 0 3 225.336 0.444 20 0 BCADHN CCCCCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852799379 588703911 /nfs/dbraw/zinc/70/39/11/588703911.db2.gz DQEKBXFKOTYRDI-SECBINFHSA-N 0 3 227.308 0.787 20 0 BCADHN NC[C@@H]1CC(C(=O)Nc2cccc(F)c2)=NO1 ZINC000852798875 588703975 /nfs/dbraw/zinc/70/39/75/588703975.db2.gz BSUPBCPDBYLNLB-VIFPVBQESA-N 0 3 237.234 0.868 20 0 BCADHN CN(C(=O)C1=NO[C@H](CN)C1)c1ccccc1 ZINC000852799087 588704013 /nfs/dbraw/zinc/70/40/13/588704013.db2.gz DATILBCIYONLTC-JTQLQIEISA-N 0 3 233.271 0.753 20 0 BCADHN C[C@@H]1CCC[C@H](C)N1C(=O)C1=NO[C@H](CN)C1 ZINC000852799417 588704090 /nfs/dbraw/zinc/70/40/90/588704090.db2.gz GTDPOPACCJHUEI-AEJSXWLSSA-N 0 3 239.319 0.880 20 0 BCADHN CCC(C)(C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852801632 588704440 /nfs/dbraw/zinc/70/44/40/588704440.db2.gz SOANVLQSNPVWMW-SSDOTTSWSA-N 0 3 213.281 0.395 20 0 BCADHN Cc1n[nH]c(C)c1NC(=O)C1=NO[C@H](CN)C1 ZINC000852802262 588704583 /nfs/dbraw/zinc/70/45/83/588704583.db2.gz FWHQWMXITRCWIU-ZETCQYMHSA-N 0 3 237.263 0.069 20 0 BCADHN CC(C)CN(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852810670 588704799 /nfs/dbraw/zinc/70/47/99/588704799.db2.gz VDRJDPQRHCYAPX-QMMMGPOBSA-N 0 3 213.281 0.204 20 0 BCADHN CC(C)(C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852808281 588704804 /nfs/dbraw/zinc/70/48/04/588704804.db2.gz QDFZUWIJJMJOAK-QMMMGPOBSA-N 0 3 227.308 0.642 20 0 BCADHN CCC(CC)CNC(=O)C1=NO[C@H](CN)C1 ZINC000852808482 588704821 /nfs/dbraw/zinc/70/48/21/588704821.db2.gz YVRJQXVPXVAEIQ-VIFPVBQESA-N 0 3 227.308 0.642 20 0 BCADHN Cc1cccc(CNC(=O)C2=NO[C@@H](CN)C2)c1 ZINC000852809824 588704865 /nfs/dbraw/zinc/70/48/65/588704865.db2.gz MQHWPIKHQQVMLZ-LLVKDONJSA-N 0 3 247.298 0.715 20 0 BCADHN NC[C@@H]1CC(C(=O)NCCC(F)(F)F)=NO1 ZINC000852810802 588704952 /nfs/dbraw/zinc/70/49/52/588704952.db2.gz WBNVTZKUYYJBBA-YFKPBYRVSA-N 0 3 239.197 0.159 20 0 BCADHN C[C@@H](CNC(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000852820972 588705125 /nfs/dbraw/zinc/70/51/25/588705125.db2.gz GETQRVHOGWIXCB-IONNQARKSA-N 0 3 225.292 0.252 20 0 BCADHN C[C@H](N(C)C(=O)C1=NO[C@@H](CN)C1)C(C)(C)C ZINC000852813351 588705283 /nfs/dbraw/zinc/70/52/83/588705283.db2.gz IGGVCZLQOGWQFM-DTWKUNHWSA-N 0 3 241.335 0.983 20 0 BCADHN CC(C)CN(C(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000852815081 588705311 /nfs/dbraw/zinc/70/53/11/588705311.db2.gz VPYPPLAVXOLVCP-JTQLQIEISA-N 0 3 239.319 0.737 20 0 BCADHN CC[C@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852815870 588705346 /nfs/dbraw/zinc/70/53/46/588705346.db2.gz CRBSDPGTSBEEKH-VHSXEESVSA-N 0 3 239.319 0.739 20 0 BCADHN CC1(C)CCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852828355 588706318 /nfs/dbraw/zinc/70/63/18/588706318.db2.gz JFOCSEJGBJVAPA-QMMMGPOBSA-N 0 3 225.292 0.491 20 0 BCADHN C[C@@H]1CSCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852839230 588706986 /nfs/dbraw/zinc/70/69/86/588706986.db2.gz ALSNUVPGTYDKNG-HTQZYQBOSA-N 0 3 243.332 0.054 20 0 BCADHN CCC(C)(CC)NC(=O)C1=NO[C@H](CN)C1 ZINC000852840053 588706989 /nfs/dbraw/zinc/70/69/89/588706989.db2.gz IPLLLBAIPUJDGD-QMMMGPOBSA-N 0 3 227.308 0.785 20 0 BCADHN C[C@H]1CCCCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852839934 588707008 /nfs/dbraw/zinc/70/70/08/588707008.db2.gz NSKKFWQVEINNKJ-VHSXEESVSA-N 0 3 239.319 0.881 20 0 BCADHN CCN(CC1CC1)C(=O)C1=NO[C@H](CN)C1 ZINC000852839253 588707170 /nfs/dbraw/zinc/70/71/70/588707170.db2.gz AXVIBBHZQAVJQW-VIFPVBQESA-N 0 3 225.292 0.349 20 0 BCADHN CN(CC(C)(C)[NH3+])C(=O)c1ccc(N)cc1[O-] ZINC000852841417 588707413 /nfs/dbraw/zinc/70/74/13/588707413.db2.gz DQOACRYCDCTHSN-UHFFFAOYSA-N 0 3 237.303 0.784 20 0 BCADHN O=C(NCc1ccon1)C1(NC2CC2)CCC1 ZINC000852841352 588707540 /nfs/dbraw/zinc/70/75/40/588707540.db2.gz ZSLMPRFYJHLDIM-UHFFFAOYSA-N 0 3 235.287 0.966 20 0 BCADHN CC(C)N(C(=O)C1=NO[C@@H](CN)C1)C1CCC1 ZINC000852845124 588707716 /nfs/dbraw/zinc/70/77/16/588707716.db2.gz CVUHVKBIVKGGND-SNVBAGLBSA-N 0 3 239.319 0.880 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852843409 588707821 /nfs/dbraw/zinc/70/78/21/588707821.db2.gz XEUYZHWPRCABSJ-OPRDCNLKSA-N 0 3 239.319 0.737 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N[C@H]1C=CCC1 ZINC000852848064 588707930 /nfs/dbraw/zinc/70/79/30/588707930.db2.gz ZELUNASUHYJZDW-IUCAKERBSA-N 0 3 226.276 0.102 20 0 BCADHN CC1(C)[C@@H]2CN(C(=O)C3=NO[C@@H](CN)C3)C[C@@H]21 ZINC000852846795 588708029 /nfs/dbraw/zinc/70/80/29/588708029.db2.gz GVMQWLCMQUEHGX-HLTSFMKQSA-N 0 3 237.303 0.204 20 0 BCADHN C[C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)[C@H]1C ZINC000852852059 588708180 /nfs/dbraw/zinc/70/81/80/588708180.db2.gz NBZMGXBZLDHMFR-VGMNWLOBSA-N 0 3 225.292 0.347 20 0 BCADHN CC[C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852852558 588708251 /nfs/dbraw/zinc/70/82/51/588708251.db2.gz ATHRDYCIVABDFT-BDAKNGLRSA-N 0 3 225.292 0.349 20 0 BCADHN CC[C@@H](C)CN(CC)C(=O)C1=NO[C@@H](CN)C1 ZINC000852851534 588708302 /nfs/dbraw/zinc/70/83/02/588708302.db2.gz SLQKWPYUYSMSDL-NXEZZACHSA-N 0 3 241.335 0.985 20 0 BCADHN O=C(NCCc1ccoc1)[C@]1(F)CCNC1 ZINC000852855187 588708463 /nfs/dbraw/zinc/70/84/63/588708463.db2.gz WIYQNBZHCGEWRI-NSHDSACASA-N 0 3 226.251 0.640 20 0 BCADHN NC[C@H]1CC(C(=O)N2CCCCC2)=NO1 ZINC000852855881 588708562 /nfs/dbraw/zinc/70/85/62/588708562.db2.gz JEFKFTFNSSFJKB-MRVPVSSYSA-N 0 3 211.265 0.103 20 0 BCADHN NC[C@@H]1CC(C(=O)N2CCCCC2)=NO1 ZINC000852855891 588708607 /nfs/dbraw/zinc/70/86/07/588708607.db2.gz JEFKFTFNSSFJKB-QMMMGPOBSA-N 0 3 211.265 0.103 20 0 BCADHN O=C(Nc1cnc2ccccn12)[C@]1(F)CCNC1 ZINC000852854620 588708648 /nfs/dbraw/zinc/70/86/48/588708648.db2.gz LJEOLNFYVGGCEZ-LBPRGKRZSA-N 0 3 248.261 0.974 20 0 BCADHN [NH3+][C@H]1C[C@H](C(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000852857038 588708803 /nfs/dbraw/zinc/70/88/03/588708803.db2.gz YOTPYAIKTRACEQ-CIUDSAMLSA-N 0 3 214.265 0.298 20 0 BCADHN NC[C@H]1CC(C(=O)Nc2ccccn2)=NO1 ZINC000852856507 588708921 /nfs/dbraw/zinc/70/89/21/588708921.db2.gz RIXVLJWMFFCFPY-SSDOTTSWSA-N 0 3 220.232 0.124 20 0 BCADHN C[C@H](NC(=O)C1=NO[C@H](CN)C1)c1cccnc1 ZINC000852863259 588709114 /nfs/dbraw/zinc/70/91/14/588709114.db2.gz SPMQVYXULQDJPL-WPRPVWTQSA-N 0 3 248.286 0.362 20 0 BCADHN O=C(NCC1=CCCC1)[C@]1(F)CCNC1 ZINC000852863440 588709167 /nfs/dbraw/zinc/70/91/67/588709167.db2.gz FPNYNPVQZGFDOY-NSHDSACASA-N 0 3 212.268 0.915 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC(c2ccon2)CC1 ZINC000852864878 588709432 /nfs/dbraw/zinc/70/94/32/588709432.db2.gz LAJTWUKRPZQVLE-VHSXEESVSA-N 0 3 235.287 0.728 20 0 BCADHN Cc1cncc(NC(=O)C2=NO[C@@H](CN)C2)c1 ZINC000852868356 588709615 /nfs/dbraw/zinc/70/96/15/588709615.db2.gz QXBKNZHHCXMRGP-SECBINFHSA-N 0 3 234.259 0.432 20 0 BCADHN CN(Cc1ccncc1)C(=O)C1=NO[C@H](CN)C1 ZINC000852873820 588709734 /nfs/dbraw/zinc/70/97/34/588709734.db2.gz DPBAYOCNTLDGEI-JTQLQIEISA-N 0 3 248.286 0.144 20 0 BCADHN NC[C@@H]1CC(C(=O)Nc2cccc(O)c2)=NO1 ZINC000852875559 588710074 /nfs/dbraw/zinc/71/00/74/588710074.db2.gz JQYRKWCSYQOKQT-VIFPVBQESA-N 0 3 235.243 0.434 20 0 BCADHN Cc1cccc(NC(=O)C2=NO[C@H](CN)C2)c1O ZINC000852875163 588710216 /nfs/dbraw/zinc/71/02/16/588710216.db2.gz GAGYDZMLNVZRJA-QMMMGPOBSA-N 0 3 249.270 0.743 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N1C(=O)C1=NO[C@H](CN)C1 ZINC000852887989 588711430 /nfs/dbraw/zinc/71/14/30/588711430.db2.gz GBGZYRFPQZZSKJ-BBBLOLIVSA-N 0 3 239.319 0.880 20 0 BCADHN C[C@@H]1CCCCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852887964 588711547 /nfs/dbraw/zinc/71/15/47/588711547.db2.gz FNAGNSOASGDIIW-ZJUUUORDSA-N 0 3 239.319 0.739 20 0 BCADHN Cc1cnccc1CNC(=O)C1=NO[C@H](CN)C1 ZINC000852885367 588711562 /nfs/dbraw/zinc/71/15/62/588711562.db2.gz OMRZBEWKNJARDD-JTQLQIEISA-N 0 3 248.286 0.110 20 0 BCADHN C[C@H]1CCCCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852887962 588711614 /nfs/dbraw/zinc/71/16/14/588711614.db2.gz FNAGNSOASGDIIW-UWVGGRQHSA-N 0 3 239.319 0.739 20 0 BCADHN C[C@@H](NC(=O)C1=NO[C@H](CN)C1)C(C)(C)C ZINC000852896599 588712079 /nfs/dbraw/zinc/71/20/79/588712079.db2.gz FUASWNKJNHVGPU-SFYZADRCSA-N 0 3 227.308 0.641 20 0 BCADHN C[C@H](CNC(=O)C1=NO[C@@H](CN)C1)CC(F)F ZINC000852894455 588712093 /nfs/dbraw/zinc/71/20/93/588712093.db2.gz JVDRYWRURLVODD-NKWVEPMBSA-N 0 3 249.261 0.498 20 0 BCADHN CC[C@@H](C)N(CC)C(=O)C1=NO[C@@H](CN)C1 ZINC000852900133 588712420 /nfs/dbraw/zinc/71/24/20/588712420.db2.gz RCCLWVGNWWGVRL-RKDXNWHRSA-N 0 3 227.308 0.737 20 0 BCADHN CCNCC(=O)N1CCN(CC)C(=O)[C@@H]1CC ZINC000852907640 588712845 /nfs/dbraw/zinc/71/28/45/588712845.db2.gz NWZKCDSKBLVIBH-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN C[C@@]1(CNC(=O)C2=NO[C@H](CN)C2)CC1(F)F ZINC000852908550 588712962 /nfs/dbraw/zinc/71/29/62/588712962.db2.gz IZVNYIXZWITQQN-RCOVLWMOSA-N 0 3 247.245 0.252 20 0 BCADHN NC[C@H]1CC(C(=O)NCC2=CCCC2)=NO1 ZINC000852915922 588713003 /nfs/dbraw/zinc/71/30/03/588713003.db2.gz QOJHMNGYIDRFGW-SECBINFHSA-N 0 3 223.276 0.317 20 0 BCADHN C[NH2+]C[C@@H](C)NC(=O)c1ccc(N)cc1[O-] ZINC000852924113 588713692 /nfs/dbraw/zinc/71/36/92/588713692.db2.gz MUCZXCQKZWGVJJ-SSDOTTSWSA-N 0 3 223.276 0.312 20 0 BCADHN CCOCC(=O)OC[C@@H]1CCCN1CCOC ZINC000861032660 589139853 /nfs/dbraw/zinc/13/98/53/589139853.db2.gz UCYYOSTXHFKDOH-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000202585230 589179933 /nfs/dbraw/zinc/17/99/33/589179933.db2.gz ISBGTXMBQDOPDR-UPJWGTAASA-N 0 3 248.326 0.744 20 0 BCADHN CCn1cc(C(=O)NOCCN(C)C)c(C)n1 ZINC000861855947 589180689 /nfs/dbraw/zinc/18/06/89/589180689.db2.gz BEJMCCHPRAAZQZ-UHFFFAOYSA-N 0 3 240.307 0.434 20 0 BCADHN CN(C)CCONC(=O)c1nn(C)cc1Cl ZINC000861857651 589180896 /nfs/dbraw/zinc/18/08/96/589180896.db2.gz GIHLFVXBRIUQST-UHFFFAOYSA-N 0 3 246.698 0.297 20 0 BCADHN Cc1c(CNC[C@@]2(O)CCOC2)ccnc1F ZINC000862291967 589200047 /nfs/dbraw/zinc/20/00/47/589200047.db2.gz VTLPXOPEVSGXIW-LBPRGKRZSA-N 0 3 240.278 0.770 20 0 BCADHN Cc1ncc(CNCCCc2cnn(C)n2)o1 ZINC000862379321 589206402 /nfs/dbraw/zinc/20/64/02/589206402.db2.gz JVQJBDHKKALIMR-UHFFFAOYSA-N 0 3 235.291 0.834 20 0 BCADHN CCOC[C@@H](C)NCC(=O)N(CC)OCC ZINC000862453511 589215066 /nfs/dbraw/zinc/21/50/66/589215066.db2.gz WMTKHJDKPLLUIQ-SNVBAGLBSA-N 0 3 232.324 0.801 20 0 BCADHN CCON(CC)C(=O)CNCC[C@H]1CCOC1 ZINC000862453157 589215490 /nfs/dbraw/zinc/21/54/90/589215490.db2.gz SJPWTVDUZVANSO-NSHDSACASA-N 0 3 244.335 0.803 20 0 BCADHN CCOCCCN1CCC2(C1)OCCO2 ZINC000118964802 589219445 /nfs/dbraw/zinc/21/94/45/589219445.db2.gz NDLZEOFFONJJJQ-UHFFFAOYSA-N 0 3 215.293 0.862 20 0 BCADHN CN(C)C1(C(=O)N(C)CC2(C)COC2)CCC1 ZINC000862763207 589238260 /nfs/dbraw/zinc/23/82/60/589238260.db2.gz YCWAKXYKEUWYMA-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CCCCC[C@H](NC(=O)[C@H](N)CC)C(=O)OC ZINC000119248695 589254031 /nfs/dbraw/zinc/25/40/31/589254031.db2.gz LXFRUCFILJGAPS-ZJUUUORDSA-N 0 3 244.335 0.962 20 0 BCADHN CN(C)C1(C(=O)NC[C@H]2C[C@@H](O)C2)CCC1 ZINC000863184639 589269491 /nfs/dbraw/zinc/26/94/91/589269491.db2.gz NVYSAPXQVXMTDT-AOOOYVTPSA-N 0 3 226.320 0.358 20 0 BCADHN CS[C@H]1CC[C@H](NC(=O)[C@@H](C)N)C1 ZINC000119351654 589272673 /nfs/dbraw/zinc/27/26/73/589272673.db2.gz PCZFERZCXDYWQN-CSMHCCOUSA-N 0 3 202.323 0.734 20 0 BCADHN C[C@@H]1C[C@@H]1CN1C(C)C(=O)N(C)S1(=O)=O ZINC000863329215 589280885 /nfs/dbraw/zinc/28/08/85/589280885.db2.gz MMVCGEUKZBWDAZ-GJMOJQLCSA-N 0 3 232.305 0.050 20 0 BCADHN CCc1cc(=O)[n-]c(CN(C)C[C@H](C)[NH3+])n1 ZINC000863568590 589299830 /nfs/dbraw/zinc/29/98/30/589299830.db2.gz LUTKPDXAUSAIFX-QMMMGPOBSA-N 0 3 224.308 0.524 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CNCCC1(F)F)N(C)C ZINC000863584811 589301558 /nfs/dbraw/zinc/30/15/58/589301558.db2.gz DWEWQYGYQMAUIB-IUCAKERBSA-N 0 3 249.305 0.440 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CNCCC1(F)F)N(C)C ZINC000863584810 589301746 /nfs/dbraw/zinc/30/17/46/589301746.db2.gz DWEWQYGYQMAUIB-DTWKUNHWSA-N 0 3 249.305 0.440 20 0 BCADHN CN(CC(=O)N1CC(n2ccnn2)C1)C1CCC1 ZINC000863904571 589325039 /nfs/dbraw/zinc/32/50/39/589325039.db2.gz VORNEQVFBUTXAY-UHFFFAOYSA-N 0 3 249.318 0.146 20 0 BCADHN CN(CC(=O)N1C[C@@H](F)[C@@H](F)C1)C1CCC1 ZINC000863920888 589326333 /nfs/dbraw/zinc/32/63/33/589326333.db2.gz OFMVCRBWXUQZGG-AOOOYVTPSA-N 0 3 232.274 0.989 20 0 BCADHN O[C@H](CN1CC[C@H]2C[C@H]21)CC1(O)CCOCC1 ZINC000863969778 589329702 /nfs/dbraw/zinc/32/97/02/589329702.db2.gz ZSUVRLXIGBPJHW-SDDRHHMPSA-N 0 3 241.331 0.373 20 0 BCADHN C[C@]12COC[C@H]1CN(Cc1ccc(N)nn1)C2 ZINC000864049898 589335045 /nfs/dbraw/zinc/33/50/45/589335045.db2.gz NYVAKVWEKCQGEL-SKDRFNHKSA-N 0 3 234.303 0.527 20 0 BCADHN Nc1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)nn1 ZINC000864050063 589335199 /nfs/dbraw/zinc/33/51/99/589335199.db2.gz SPKAADYPLRRNIQ-GXFFZTMASA-N 0 3 248.330 0.653 20 0 BCADHN C[C@@H]1C[C@@H](NCc2ccc(N)nn2)[C@H](C)O1 ZINC000864050190 589335416 /nfs/dbraw/zinc/33/54/16/589335416.db2.gz XYLLZOPNMWJMPV-KHQFGBGNSA-N 0 3 222.292 0.714 20 0 BCADHN C/C=C\[C@H](O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000864067848 589338211 /nfs/dbraw/zinc/33/82/11/589338211.db2.gz KYWDJYATENMNHS-MXFLAHGMSA-N 0 3 240.347 0.912 20 0 BCADHN Cc1nc[nH]c1C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000864084565 589341802 /nfs/dbraw/zinc/34/18/02/589341802.db2.gz LJJZWRHWQXLYJT-ZDUSSCGKSA-N 0 3 248.330 0.932 20 0 BCADHN O[C@H](c1cn(CCN2CCCC2)nn1)C1CC1 ZINC000864652603 589388070 /nfs/dbraw/zinc/38/80/70/589388070.db2.gz NGDCCCBPHSILDP-LBPRGKRZSA-N 0 3 236.319 0.817 20 0 BCADHN C[C@H](CNC(=O)c1cnc2nccn2c1)N(C)C ZINC000864827420 589396823 /nfs/dbraw/zinc/39/68/23/589396823.db2.gz HCNBKSPQGIJGBV-SECBINFHSA-N 0 3 247.302 0.409 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1CCC(=O)O1 ZINC000865008295 589404734 /nfs/dbraw/zinc/40/47/34/589404734.db2.gz YCPWZNZRNOBWFJ-PSASIEDQSA-N 0 3 238.287 0.045 20 0 BCADHN COC/C=C/C(=O)N1CCC[C@@H]1CN(C)C ZINC000865124445 589409991 /nfs/dbraw/zinc/40/99/91/589409991.db2.gz BGQONMFMNFNKLJ-OKPNEXGHSA-N 0 3 226.320 0.742 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)O1)N(C)C1CC1 ZINC000865143409 589411204 /nfs/dbraw/zinc/41/12/04/589411204.db2.gz XHBZZTPUWATCOD-PSASIEDQSA-N 0 3 240.303 0.291 20 0 BCADHN C[C@@H]1C[C@H](O)CCN1C(=S)NCCN(C)C ZINC000865245449 589415653 /nfs/dbraw/zinc/41/56/53/589415653.db2.gz LMKKJCWDTLBGKH-NXEZZACHSA-N 0 3 245.392 0.268 20 0 BCADHN CS[C@H]1C[C@H](NC(=S)NCCN(C)C)C1 ZINC000865256812 589416337 /nfs/dbraw/zinc/41/63/37/589416337.db2.gz CZSMDWLVGMZRPD-KYZUINATSA-N 0 3 247.433 0.906 20 0 BCADHN CCN(CC)C(=O)CNCc1ccc(=O)[nH]c1 ZINC000865432497 589435675 /nfs/dbraw/zinc/43/56/75/589435675.db2.gz YPHFBJXRELRGKZ-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN Cn1ncc2cc(CNCC(C)(C)O)cnc21 ZINC000865457117 589437290 /nfs/dbraw/zinc/43/72/90/589437290.db2.gz GRRACLORJRVDMV-UHFFFAOYSA-N 0 3 234.303 0.829 20 0 BCADHN Cn1ncc2cc(CNC[C@@H](O)C3CC3)cnc21 ZINC000865462419 589438018 /nfs/dbraw/zinc/43/80/18/589438018.db2.gz NUDVSRQOKMIARR-GFCCVEGCSA-N 0 3 246.314 0.829 20 0 BCADHN COc1cncc(CNCC[S@@](C)=O)c1C ZINC000865466774 589438498 /nfs/dbraw/zinc/43/84/98/589438498.db2.gz NOUNUVLTIJZBCB-MRXNPFEDSA-N 0 3 242.344 0.867 20 0 BCADHN C[C@H](CC(N)=O)NCc1cnc2c(cnn2C)c1 ZINC000865496023 589440967 /nfs/dbraw/zinc/44/09/67/589440967.db2.gz PNSRYFQKKBIOBJ-MRVPVSSYSA-N 0 3 247.302 0.322 20 0 BCADHN COC/C=C/C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000865584299 589449070 /nfs/dbraw/zinc/44/90/70/589449070.db2.gz OPMAUEFUAMSTRH-PGLGOXFNSA-N 0 3 242.319 0.026 20 0 BCADHN Cn1ncc2cc(CN[C@H]3C[C@@](C)(O)C3)cnc21 ZINC000865605308 589450208 /nfs/dbraw/zinc/45/02/08/589450208.db2.gz RXUNGUCCUOGPDU-BJHJDKERSA-N 0 3 246.314 0.971 20 0 BCADHN Cn1ncc2cc(CN[C@@H]3CC[C@H]3O)cnc21 ZINC000865609443 589450974 /nfs/dbraw/zinc/45/09/74/589450974.db2.gz MAYGJFOBPTVEAI-GHMZBOCLSA-N 0 3 232.287 0.581 20 0 BCADHN Cn1ncc2cc(CNC/C=C\CO)cnc21 ZINC000865623390 589452171 /nfs/dbraw/zinc/45/21/71/589452171.db2.gz ONOXNKPYTCBVGX-IHWYPQMZSA-N 0 3 232.287 0.606 20 0 BCADHN CCn1nncc1CN[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865692770 589456326 /nfs/dbraw/zinc/45/63/26/589456326.db2.gz DDCUUDVNBBQHDN-MNSQCTGESA-N 0 3 248.330 0.811 20 0 BCADHN CCn1nncc1CN[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865692776 589456351 /nfs/dbraw/zinc/45/63/51/589456351.db2.gz DDCUUDVNBBQHDN-XZPDDHLCSA-N 0 3 248.330 0.811 20 0 BCADHN c1ncc(CN[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cn1 ZINC000865694913 589456711 /nfs/dbraw/zinc/45/67/11/589456711.db2.gz WEHFMTRYYZXXKX-NWBUJAPZSA-N 0 3 231.299 0.990 20 0 BCADHN Cn1nncc1CN[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865695395 589456951 /nfs/dbraw/zinc/45/69/51/589456951.db2.gz YOSWMHCOXKEJLA-TZAKJNRTSA-N 0 3 234.303 0.328 20 0 BCADHN COc1ccsc1CNC[C@@H](O)[C@H](C)O ZINC000865738632 589459641 /nfs/dbraw/zinc/45/96/41/589459641.db2.gz HZRXIHBRLGMJQU-JGVFFNPUSA-N 0 3 231.317 0.588 20 0 BCADHN Cc1cc(CNC[C@@H](O)[C@H](C)O)cnc1Cl ZINC000865738815 589459842 /nfs/dbraw/zinc/45/98/42/589459842.db2.gz KBXTWHFQRPEJEQ-WCBMZHEXSA-N 0 3 244.722 0.875 20 0 BCADHN Cc1cc(CNC[C@H](O)[C@@H](C)O)cnc1Cl ZINC000865738814 589459921 /nfs/dbraw/zinc/45/99/21/589459921.db2.gz KBXTWHFQRPEJEQ-SCZZXKLOSA-N 0 3 244.722 0.875 20 0 BCADHN Cc1cc(CNC[C@H](O)[C@H](C)O)c(C)o1 ZINC000865739814 589460043 /nfs/dbraw/zinc/46/00/43/589460043.db2.gz VJQHKZCMNRTSOK-KWQFWETISA-N 0 3 213.277 0.728 20 0 BCADHN COc1cc(CNC[C@@H](O)[C@H](C)O)ccc1C ZINC000865739755 589460101 /nfs/dbraw/zinc/46/01/01/589460101.db2.gz USEHRUZDBLVGCZ-CMPLNLGQSA-N 0 3 239.315 0.835 20 0 BCADHN Cn1nccc1CNc1cc2n(n1)CCN(C)C2 ZINC000865844375 589464596 /nfs/dbraw/zinc/46/45/96/589464596.db2.gz KVWPMQVTRZOIQK-UHFFFAOYSA-N 0 3 246.318 0.674 20 0 BCADHN COC[C@H](O)CNCc1cc(C)oc1C ZINC000120760957 589464920 /nfs/dbraw/zinc/46/49/20/589464920.db2.gz DXVOEOCPRPUIPD-LLVKDONJSA-N 0 3 213.277 0.993 20 0 BCADHN CC[C@H](C[C@H](C)O)NCc1cnnn1CC ZINC000865873851 589466484 /nfs/dbraw/zinc/46/64/84/589466484.db2.gz KTBKHPYJYLNEGQ-VHSXEESVSA-N 0 3 226.324 0.937 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1nccc(N)n1 ZINC000865928166 589469025 /nfs/dbraw/zinc/46/90/25/589469025.db2.gz RZXASHRFVGPCBV-UHFFFAOYSA-N 0 3 249.318 0.057 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1CCO[C@@H]1C ZINC000120910182 589476661 /nfs/dbraw/zinc/47/66/61/589476661.db2.gz XLWNMXDZOPXBDP-RKDXNWHRSA-N 0 3 221.322 0.188 20 0 BCADHN Cc1n[nH]c(CNCCNC(=O)C(C)C)c1C ZINC000885896939 589477178 /nfs/dbraw/zinc/47/71/78/589477178.db2.gz ZEZRJZQGJSUDQT-UHFFFAOYSA-N 0 3 238.335 0.888 20 0 BCADHN Cc1[nH]nc(CNCCNC(=O)C(C)C)c1C ZINC000885896939 589477179 /nfs/dbraw/zinc/47/71/79/589477179.db2.gz ZEZRJZQGJSUDQT-UHFFFAOYSA-N 0 3 238.335 0.888 20 0 BCADHN C[C@H](CCc1cccnc1)N[C@H]1CCNC1=O ZINC000866386879 589489236 /nfs/dbraw/zinc/48/92/36/589489236.db2.gz ILWKTQYFBNWFGL-PWSUYJOCSA-N 0 3 233.315 0.881 20 0 BCADHN CC1(C)C[C@H](O)CN(C[C@H]2CNCCO2)C1 ZINC000866702712 589513366 /nfs/dbraw/zinc/51/33/66/589513366.db2.gz FMNOEGYUODDUMG-WDEREUQCSA-N 0 3 228.336 0.068 20 0 BCADHN CCC(C)(C)CCS(=O)(=O)NCCNC ZINC000866737378 589516311 /nfs/dbraw/zinc/51/63/11/589516311.db2.gz DYFIDPGUOQWTGN-UHFFFAOYSA-N 0 3 236.381 0.952 20 0 BCADHN CNCCN(C)S(=O)(=O)CCC(C)(F)F ZINC000866760771 589517672 /nfs/dbraw/zinc/51/76/72/589517672.db2.gz XJEKKPUSWCAUKR-UHFFFAOYSA-N 0 3 244.307 0.513 20 0 BCADHN [NH3+][C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccccn2)C1 ZINC000866805364 589519279 /nfs/dbraw/zinc/51/92/79/589519279.db2.gz JEUUEIOYWKNFEW-DTORHVGOSA-N 0 3 241.316 0.097 20 0 BCADHN CO[C@@]1(C)C[C@H](N(C)C(=O)[C@H](C)N)C1(C)C ZINC000121651501 589523991 /nfs/dbraw/zinc/52/39/91/589523991.db2.gz MAYXENGUVCNEBM-AUTRQRHGSA-N 0 3 228.336 0.996 20 0 BCADHN CC(C)CONC(=O)NC[C@H]1CCCN1C ZINC000121867569 589536153 /nfs/dbraw/zinc/53/61/53/589536153.db2.gz YRZAAYCTZSVVMW-SNVBAGLBSA-N 0 3 229.324 0.967 20 0 BCADHN CC(C)CONC(=O)NC[C@@H]1CCCN1C ZINC000121867432 589536234 /nfs/dbraw/zinc/53/62/34/589536234.db2.gz YRZAAYCTZSVVMW-JTQLQIEISA-N 0 3 229.324 0.967 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H]1CC2(CO1)CCOCC2 ZINC000867993726 589542523 /nfs/dbraw/zinc/54/25/23/589542523.db2.gz AGNBIRJVQDAVQB-NXEZZACHSA-N 0 3 242.319 0.036 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H]1CCC12CCOCC2 ZINC000867992456 589542638 /nfs/dbraw/zinc/54/26/38/589542638.db2.gz FINVVJOOOYGIII-NXEZZACHSA-N 0 3 226.320 0.657 20 0 BCADHN C[C@H](N)C(=O)NC[C@H]1CCC12CCOCC2 ZINC000867992458 589542768 /nfs/dbraw/zinc/54/27/68/589542768.db2.gz FINVVJOOOYGIII-VHSXEESVSA-N 0 3 226.320 0.657 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1CC2(CO1)CCOCC2 ZINC000867993729 589542860 /nfs/dbraw/zinc/54/28/60/589542860.db2.gz AGNBIRJVQDAVQB-ZJUUUORDSA-N 0 3 242.319 0.036 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000867994439 589543226 /nfs/dbraw/zinc/54/32/26/589543226.db2.gz PCOVXOOLOAKSPL-FIQHERPVSA-N 0 3 238.331 0.513 20 0 BCADHN CNCC(=O)NCCc1cn(C)c2ncccc12 ZINC000868000236 589543403 /nfs/dbraw/zinc/54/34/03/589543403.db2.gz WKSRTFJEESCZBR-UHFFFAOYSA-N 0 3 246.314 0.451 20 0 BCADHN O=C(Nc1ccn(CCF)n1)[C@H]1CCN1 ZINC000868026528 589545062 /nfs/dbraw/zinc/54/50/62/589545062.db2.gz LTLZIYMLZUELNE-SSDOTTSWSA-N 0 3 212.228 0.153 20 0 BCADHN CN1CCn2nc(NC(=O)CNC3CC3)cc2C1 ZINC000868037019 589545691 /nfs/dbraw/zinc/54/56/91/589545691.db2.gz NOEPRQVYBJTJPC-UHFFFAOYSA-N 0 3 249.318 0.019 20 0 BCADHN C[C@H](N)C(=O)NC1([C@H]2CCCCO2)CCC1 ZINC000868047102 589546869 /nfs/dbraw/zinc/54/68/69/589546869.db2.gz LMNYDNODKHBUSN-VHSXEESVSA-N 0 3 226.320 0.942 20 0 BCADHN CCNCC(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000868048376 589546988 /nfs/dbraw/zinc/54/69/88/589546988.db2.gz VMVFUPBEVMMLOF-WDEREUQCSA-N 0 3 226.320 0.527 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000868065886 589547661 /nfs/dbraw/zinc/54/76/61/589547661.db2.gz DRUHHAXZOMZHGV-RXKWGBCNSA-N 0 3 224.304 0.263 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000868065605 589547797 /nfs/dbraw/zinc/54/77/97/589547797.db2.gz CCZAYTMNTLOTRB-DCHHYWPUSA-N 0 3 238.331 0.509 20 0 BCADHN Cc1conc1C(=O)NOC1CCN(C)CC1 ZINC000868090608 589549676 /nfs/dbraw/zinc/54/96/76/589549676.db2.gz MESVSRHSDGOYAG-UHFFFAOYSA-N 0 3 239.275 0.739 20 0 BCADHN CNC(=S)N1CC[C@H](N2CCCC2)C1 ZINC000122148747 589557049 /nfs/dbraw/zinc/55/70/49/589557049.db2.gz ICUVMZHPIJATFP-VIFPVBQESA-N 0 3 213.350 0.661 20 0 BCADHN Cn1ccnc1-c1noc(C[C@@H]2CNCCO2)n1 ZINC000122171388 589560611 /nfs/dbraw/zinc/56/06/11/589560611.db2.gz IHXGASBLWNBIIR-MRVPVSSYSA-N 0 3 249.274 0.001 20 0 BCADHN Cc1cc(F)ncc1C(=O)NOCCN(C)C ZINC000868627969 589569298 /nfs/dbraw/zinc/56/92/98/589569298.db2.gz FGJUHPACMTZLGQ-UHFFFAOYSA-N 0 3 241.266 0.752 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N[C@H]1CCOC1=O ZINC000869091326 589586985 /nfs/dbraw/zinc/58/69/85/589586985.db2.gz VWDKSNBPXUKUPG-UWVGGRQHSA-N 0 3 240.303 0.293 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1CCOC1=O)N(C)C ZINC000869090608 589587007 /nfs/dbraw/zinc/58/70/07/589587007.db2.gz KQVFUCPSGVBBHN-DTWKUNHWSA-N 0 3 228.292 0.004 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC(=O)N(CC)CC ZINC000122482311 589594004 /nfs/dbraw/zinc/59/40/04/589594004.db2.gz PXKDOLSPHRHTRL-KOLCDFICSA-N 0 3 243.351 0.344 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@H]2CCC(=O)O2)C1 ZINC000869284373 589596245 /nfs/dbraw/zinc/59/62/45/589596245.db2.gz FDBXBJCUBQPIOE-VHSXEESVSA-N 0 3 240.303 0.293 20 0 BCADHN Cc1nccnc1COC(=O)C1CCN(C)C1=O ZINC000869477111 589608431 /nfs/dbraw/zinc/60/84/31/589608431.db2.gz VDLPZOBHBIGQPE-VIFPVBQESA-N 0 3 249.270 0.307 20 0 BCADHN CC[C@@H](NC(C)=O)C(=O)OCCN(CC)CC ZINC000869677214 589621321 /nfs/dbraw/zinc/62/13/21/589621321.db2.gz MBPQWYRGGZZVPX-LLVKDONJSA-N 0 3 244.335 0.786 20 0 BCADHN CC(C)[NH2+]CCC(=O)[N-]O[C@H]1CCCCO1 ZINC000123160416 589667058 /nfs/dbraw/zinc/66/70/58/589667058.db2.gz SNVKZXBRAHSTNC-NSHDSACASA-N 0 3 230.308 0.949 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)c1cncn1C ZINC000870547671 589673144 /nfs/dbraw/zinc/67/31/44/589673144.db2.gz JOTSSISOJTZYRF-VIFPVBQESA-N 0 3 225.292 0.917 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)c1cccnn1 ZINC000870549376 589673393 /nfs/dbraw/zinc/67/33/93/589673393.db2.gz XYVDHXHBEUGMIH-SECBINFHSA-N 0 3 223.276 0.974 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)c1cnnn1CC ZINC000870549078 589673556 /nfs/dbraw/zinc/67/35/56/589673556.db2.gz XLIQEZCGPPHZLE-VIFPVBQESA-N 0 3 240.307 0.795 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)CNC(C)=O ZINC000870550890 589674279 /nfs/dbraw/zinc/67/42/79/589674279.db2.gz UINAIAAWEORYJQ-VIFPVBQESA-N 0 3 216.281 0.006 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)c1cnnn1C ZINC000870552227 589674794 /nfs/dbraw/zinc/67/47/94/589674794.db2.gz DNPMEIXVMHIGNM-MRVPVSSYSA-N 0 3 226.280 0.312 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)c1cncnc1 ZINC000870553651 589675617 /nfs/dbraw/zinc/67/56/17/589675617.db2.gz OKHPKCZCUKZQSN-SNVBAGLBSA-N 0 3 223.276 0.974 20 0 BCADHN CC(=O)N(C)CC(=O)O[C@@H](CN(C)C)C(C)C ZINC000870571697 589676875 /nfs/dbraw/zinc/67/68/75/589676875.db2.gz RREBVXHTVXZRAG-NSHDSACASA-N 0 3 244.335 0.594 20 0 BCADHN Cc1cc(F)ncc1C(=O)N1CCCNCC1 ZINC000870932895 589695947 /nfs/dbraw/zinc/69/59/47/589695947.db2.gz KRPGSNAYNKONQQ-UHFFFAOYSA-N 0 3 237.278 0.965 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@H]2CSC[C@H]2C1 ZINC000870981864 589703643 /nfs/dbraw/zinc/70/36/43/589703643.db2.gz KJWDYOKFCGSSGS-XHNCKOQMSA-N 0 3 214.334 0.545 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000870980703 589704385 /nfs/dbraw/zinc/70/43/85/589704385.db2.gz AYLPQEZITYCUKC-GUBZILKMSA-N 0 3 228.361 0.935 20 0 BCADHN Cn1cc(C(F)F)c(CNC(=O)C(C)(C)N)n1 ZINC000870978982 589704899 /nfs/dbraw/zinc/70/48/99/589704899.db2.gz FCPHXEXDQKEPON-UHFFFAOYSA-N 0 3 246.261 0.711 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000870985003 589706056 /nfs/dbraw/zinc/70/60/56/589706056.db2.gz GVGPLLPMVTYRKM-NXEZZACHSA-N 0 3 228.336 0.589 20 0 BCADHN CC1(C)C[C@@H](O)CN(C(=O)[C@]2(F)CCNC2)C1 ZINC000870987273 589706896 /nfs/dbraw/zinc/70/68/96/589706896.db2.gz XHDOSWAFTAJLQD-SKDRFNHKSA-N 0 3 244.310 0.307 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1ccn(CCF)n1 ZINC000871011568 589711243 /nfs/dbraw/zinc/71/12/43/589711243.db2.gz VNBCTUFPCKHNCT-MRVPVSSYSA-N 0 3 240.282 0.932 20 0 BCADHN C[C@H](NC1CC1)C(=O)Nc1ccn(CCF)n1 ZINC000871011569 589711386 /nfs/dbraw/zinc/71/13/86/589711386.db2.gz VNBCTUFPCKHNCT-QMMMGPOBSA-N 0 3 240.282 0.932 20 0 BCADHN CN1CCN(C(=O)[C@H](O)C2CC2)CCC1(C)C ZINC000871158261 589740956 /nfs/dbraw/zinc/74/09/56/589740956.db2.gz UVIZAPVGINVSHC-LLVKDONJSA-N 0 3 240.347 0.700 20 0 BCADHN CCN(CC)CC(=O)NC1CC(C(=O)OC)C1 ZINC000871546602 589766978 /nfs/dbraw/zinc/76/69/78/589766978.db2.gz KZHPOGHEECCVLL-UHFFFAOYSA-N 0 3 242.319 0.396 20 0 BCADHN CN(C)CCNC(=S)N1C[C@@H]2COC[C@@H]2C1 ZINC000871676361 589788561 /nfs/dbraw/zinc/78/85/61/589788561.db2.gz SJSGIXCFSQTSOI-AOOOYVTPSA-N 0 3 243.376 0.001 20 0 BCADHN CN1CCCN(C[C@H](O)CC(C)(C)O)CC1 ZINC000871965733 589848634 /nfs/dbraw/zinc/84/86/34/589848634.db2.gz SCZDJVVHJABSPC-LLVKDONJSA-N 0 3 230.352 0.146 20 0 BCADHN COC[C@@H]1CCN1C[C@@H](O)CC(C)(C)O ZINC000871981040 589851672 /nfs/dbraw/zinc/85/16/72/589851672.db2.gz UOVCRCLZSXYRBY-UWVGGRQHSA-N 0 3 217.309 0.229 20 0 BCADHN CCCN(CCC1OCCO1)CC(=O)N(C)C ZINC000123897711 589849754 /nfs/dbraw/zinc/84/97/54/589849754.db2.gz CMXSDZKBSDUPHM-UHFFFAOYSA-N 0 3 244.335 0.550 20 0 BCADHN CC(C)(O)C[C@H](O)CN1CCSCC1 ZINC000871974100 589850250 /nfs/dbraw/zinc/85/02/50/589850250.db2.gz XJDYXYBMHSQMLC-VIFPVBQESA-N 0 3 219.350 0.557 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@H](O)CC(C)(C)O)C1 ZINC000871974456 589851245 /nfs/dbraw/zinc/85/12/45/589851245.db2.gz GAWKTNNWYUMOEG-NXEZZACHSA-N 0 3 245.319 0.003 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1CC(C2CC2)C1 ZINC000871980320 589851542 /nfs/dbraw/zinc/85/15/42/589851542.db2.gz DXAYVLMSPRDUNK-LLVKDONJSA-N 0 3 213.321 0.850 20 0 BCADHN CCOC(=O)[C@@H](C)C1CN(C[C@@H](O)C2CC2)C1 ZINC000871994837 589855282 /nfs/dbraw/zinc/85/52/82/589855282.db2.gz YMSNCTKGGYIMFH-JOYOIKCWSA-N 0 3 241.331 0.888 20 0 BCADHN CCOC(=O)[C@@H](C)C1CN(C[C@H](O)C2CC2)C1 ZINC000871994836 589855640 /nfs/dbraw/zinc/85/56/40/589855640.db2.gz YMSNCTKGGYIMFH-CABZTGNLSA-N 0 3 241.331 0.888 20 0 BCADHN CN(CCCCCC[NH3+])Cc1nc(=O)n(C)[n-]1 ZINC000872155566 589886165 /nfs/dbraw/zinc/88/61/65/589886165.db2.gz QEHROZQXJNALCE-UHFFFAOYSA-N 0 3 241.339 0.059 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC[C@H](O)CC(C)(C)O)C1 ZINC000872210149 589894030 /nfs/dbraw/zinc/89/40/30/589894030.db2.gz NEZOCDKEODVNDJ-KXUCPTDWSA-N 0 3 245.319 0.050 20 0 BCADHN CC(C)(O)C[C@H](O)CNCC(C)(C)F ZINC000872216966 589896100 /nfs/dbraw/zinc/89/61/00/589896100.db2.gz KADABSLXIQQWGA-QMMMGPOBSA-N 0 3 207.289 0.846 20 0 BCADHN Cc1ccccc1[C@@H](O)CN[C@@H]1COC[C@@H]1O ZINC000872218571 589896175 /nfs/dbraw/zinc/89/61/75/589896175.db2.gz PVLTWAJJXVSZNW-AGIUHOORSA-N 0 3 237.299 0.378 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1C[C@H](SC)C1 ZINC000872224355 589897247 /nfs/dbraw/zinc/89/72/47/589897247.db2.gz BDQYNJCHSWBCMJ-KYZUINATSA-N 0 3 237.390 0.905 20 0 BCADHN CC(C)(C)OC(=O)[C@H]1C[C@@H](NCCC(N)=O)C1 ZINC000872228132 589897915 /nfs/dbraw/zinc/89/79/15/589897915.db2.gz XYRMKYVPMFQDFT-DTORHVGOSA-N 0 3 242.319 0.572 20 0 BCADHN CSC[C@@H](O)CN[C@@H](C)c1ccnn1C ZINC000872238440 589899129 /nfs/dbraw/zinc/89/91/29/589899129.db2.gz HQDJJODFQSIOBL-IUCAKERBSA-N 0 3 229.349 0.795 20 0 BCADHN C[C@@H](CN[C@@H]1CC12CCC2)S(C)(=O)=O ZINC000872252781 589900445 /nfs/dbraw/zinc/90/04/45/589900445.db2.gz VNCHBSHNJAHQCW-DTWKUNHWSA-N 0 3 217.334 0.952 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCOCC(F)(F)C1 ZINC000872262755 589902406 /nfs/dbraw/zinc/90/24/06/589902406.db2.gz BJOPXEMEYXGYEE-QMMMGPOBSA-N 0 3 248.273 0.621 20 0 BCADHN C[C@@H](C(=O)N1CCNCCC1(C)C)N(C)C ZINC000872297258 589907085 /nfs/dbraw/zinc/90/70/85/589907085.db2.gz LBQRLWFCKAUIGU-JTQLQIEISA-N 0 3 227.352 0.537 20 0 BCADHN CC(C)N(C)CC(=O)N1CCNCCC1(C)C ZINC000872296946 589907207 /nfs/dbraw/zinc/90/72/07/589907207.db2.gz CHCVVURSANIUFD-UHFFFAOYSA-N 0 3 241.379 0.927 20 0 BCADHN CC1(C)CCNCCN1C(=O)c1nccnc1N ZINC000872296366 589907475 /nfs/dbraw/zinc/90/74/75/589907475.db2.gz XPXPIFMKIAVWFL-UHFFFAOYSA-N 0 3 249.318 0.273 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000019433862 589911661 /nfs/dbraw/zinc/91/16/61/589911661.db2.gz LVODPCZBIBHDCC-MRVPVSSYSA-N 0 3 247.298 0.865 20 0 BCADHN NC(=O)CN(CCC1OCCO1)C1CCCC1 ZINC000124140979 589950582 /nfs/dbraw/zinc/95/05/82/589950582.db2.gz GORQOXDYGYBXQI-UHFFFAOYSA-N 0 3 242.319 0.479 20 0 BCADHN C[S@@](=O)CCNCc1cccc(C(N)=O)c1 ZINC000124156686 589953075 /nfs/dbraw/zinc/95/30/75/589953075.db2.gz XMNFDXIKTFGPBB-INIZCTEOSA-N 0 3 240.328 0.254 20 0 BCADHN Cc1ncc(CNCC[S@@](C)=O)s1 ZINC000124199166 589959985 /nfs/dbraw/zinc/95/99/85/589959985.db2.gz IUJWHSBEASRXON-ZDUSSCGKSA-N 0 3 218.347 0.920 20 0 BCADHN c1nncn1CN1CC[C@@H]2CSC[C@H]2C1 ZINC000872722841 589964743 /nfs/dbraw/zinc/96/47/43/589964743.db2.gz VLSNRYUEIRIWGC-NXEZZACHSA-N 0 3 224.333 0.921 20 0 BCADHN C[C@]1(F)CNCCN(c2cc(F)ncn2)C1 ZINC000872777243 589968516 /nfs/dbraw/zinc/96/85/16/589968516.db2.gz WMKRMCNTTZQDFT-JTQLQIEISA-N 0 3 228.246 0.754 20 0 BCADHN Cn1ccc(CNCCC[C@@H]2CCOC2=O)n1 ZINC000873162210 589989034 /nfs/dbraw/zinc/98/90/34/589989034.db2.gz IVFWPVUETHMDEB-SNVBAGLBSA-N 0 3 237.303 0.853 20 0 BCADHN CCN(Cc1cnc(N)cn1)C[C@@H]1CCOC1 ZINC000873202947 589993388 /nfs/dbraw/zinc/99/33/88/589993388.db2.gz ITETWFIHFFGSFE-JTQLQIEISA-N 0 3 236.319 0.917 20 0 BCADHN CC(C)(CCO)NCc1cnc(N)cn1 ZINC000873207133 589993965 /nfs/dbraw/zinc/99/39/65/589993965.db2.gz RSYLQFRBLOHEFO-UHFFFAOYSA-N 0 3 210.281 0.309 20 0 BCADHN CC(C)(C)[C@@H](CO)NCc1cnc(N)cn1 ZINC000873208916 589994024 /nfs/dbraw/zinc/99/40/24/589994024.db2.gz XZHSDROTWMHFMM-SECBINFHSA-N 0 3 224.308 0.555 20 0 BCADHN C[C@@H]1[C@H](C)N(Cc2cnc(N)cn2)CCN1C ZINC000873209608 589994754 /nfs/dbraw/zinc/99/47/54/589994754.db2.gz QFPDEQROSFFRAQ-ZJUUUORDSA-N 0 3 235.335 0.583 20 0 BCADHN Nc1cnc(CN2CC[C@@H]([C@@H]3CCOC3)C2)cn1 ZINC000873209220 589995092 /nfs/dbraw/zinc/99/50/92/589995092.db2.gz KBIMRGVQVZEORP-GHMZBOCLSA-N 0 3 248.330 0.917 20 0 BCADHN Nc1cnc(CN[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cn1 ZINC000873217411 589997753 /nfs/dbraw/zinc/99/77/53/589997753.db2.gz LWFRBOWXVYFHMI-OKQLBERTSA-N 0 3 246.314 0.572 20 0 BCADHN CC(C)[C@H]1CN(Cc2cnc(N)cn2)CCN1C ZINC000873221693 589999998 /nfs/dbraw/zinc/99/99/98/589999998.db2.gz NMNPKSFPASDGCK-GFCCVEGCSA-N 0 3 249.362 0.831 20 0 BCADHN CN1CCN(C(=O)[C@@H]2CC2(C)C)[C@@H](CN)C1 ZINC000124471545 590018743 /nfs/dbraw/zinc/01/87/43/590018743.db2.gz ZGDNYBFYYFNDIJ-UWVGGRQHSA-N 0 3 225.336 0.134 20 0 BCADHN CC[C@@H](OC(=O)C1CCCN(C)C1=O)C(C)=O ZINC000873399269 590038327 /nfs/dbraw/zinc/03/83/27/590038327.db2.gz IQAMRZUTYDCJEP-NXEZZACHSA-N 0 3 241.287 0.766 20 0 BCADHN CCONC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000124988864 590107458 /nfs/dbraw/zinc/10/74/58/590107458.db2.gz SDSAGQSDTNEDAP-SNVBAGLBSA-N 0 3 227.308 0.721 20 0 BCADHN COC(OC)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000874446075 590111294 /nfs/dbraw/zinc/11/12/94/590111294.db2.gz WKMVILXWANLVGJ-SNVBAGLBSA-N 0 3 242.319 0.206 20 0 BCADHN CN(C)CC1(C(=O)NCCC[S@](C)=O)CC1 ZINC000874451863 590111803 /nfs/dbraw/zinc/11/18/03/590111803.db2.gz DRDDFXNZSKLJJS-INIZCTEOSA-N 0 3 246.376 0.213 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC000874468511 590113386 /nfs/dbraw/zinc/11/33/86/590113386.db2.gz JPDNSPZIUZOIQP-JTQLQIEISA-N 0 3 242.319 0.350 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](C)N(C)C)n[nH]1 ZINC000874463714 590113582 /nfs/dbraw/zinc/11/35/82/590113582.db2.gz LIFHDDMQCXFVEQ-MRVPVSSYSA-N 0 3 224.308 0.538 20 0 BCADHN O=C(N[C@H]1CC12CCC2)[C@@H]1CN2CCN1CCC2 ZINC000874786131 590135592 /nfs/dbraw/zinc/13/55/92/590135592.db2.gz YJNIGDDHUKJBGP-RYUDHWBXSA-N 0 3 249.358 0.435 20 0 BCADHN C[C@@H](O)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874830164 590138426 /nfs/dbraw/zinc/13/84/26/590138426.db2.gz QIKAWTMWRJZTET-OPRDCNLKSA-N 0 3 212.293 0.062 20 0 BCADHN Cc1n[nH]nc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874828398 590142264 /nfs/dbraw/zinc/14/22/64/590142264.db2.gz GRBFFZWIJOPPLK-VHSXEESVSA-N 0 3 249.318 0.422 20 0 BCADHN Cc1nn[nH]c1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874828398 590142265 /nfs/dbraw/zinc/14/22/65/590142265.db2.gz GRBFFZWIJOPPLK-VHSXEESVSA-N 0 3 249.318 0.422 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874827918 590142283 /nfs/dbraw/zinc/14/22/83/590142283.db2.gz FMGMACMDHFZBPV-GRYCIOLGSA-N 0 3 240.347 0.698 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccnn1 ZINC000874824533 590142895 /nfs/dbraw/zinc/14/28/95/590142895.db2.gz UYZOKPKYRUJACH-VXGBXAGGSA-N 0 3 246.314 0.785 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)C1(O)CCC1 ZINC000874834825 590143995 /nfs/dbraw/zinc/14/39/95/590143995.db2.gz VVWZUUMGXPFXBW-MNOVXSKESA-N 0 3 238.331 0.597 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1(O)CCC1 ZINC000874834827 590144266 /nfs/dbraw/zinc/14/42/66/590144266.db2.gz VVWZUUMGXPFXBW-WDEREUQCSA-N 0 3 238.331 0.597 20 0 BCADHN Cn1cnc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1 ZINC000874839553 590145528 /nfs/dbraw/zinc/14/55/28/590145528.db2.gz WUJGAXFKURHOFE-NWDGAFQWSA-N 0 3 248.330 0.729 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccon1 ZINC000874843874 590145551 /nfs/dbraw/zinc/14/55/51/590145551.db2.gz PNKKZGAEVLLSIO-GHMZBOCLSA-N 0 3 235.287 0.983 20 0 BCADHN CC(=O)CCN1CCC(NC(C)=O)CC1 ZINC000125189245 590150365 /nfs/dbraw/zinc/15/03/65/590150365.db2.gz HPWRHMDODWVDDF-UHFFFAOYSA-N 0 3 212.293 0.566 20 0 BCADHN CC(C)(O)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000874875473 590152686 /nfs/dbraw/zinc/15/26/86/590152686.db2.gz BHVPZEANRWRLFM-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN O=C1OCC[C@@H]1N1CCN(c2ccncc2)CC1 ZINC000125276345 590159540 /nfs/dbraw/zinc/15/95/40/590159540.db2.gz IDIHTVZUTRNFKZ-LBPRGKRZSA-N 0 3 247.298 0.519 20 0 BCADHN CN1CCC[C@@H](NC(=O)NC[C@H]2C[C@H](O)C2)C1 ZINC000875134345 590160947 /nfs/dbraw/zinc/16/09/47/590160947.db2.gz ATEOEORQFXUDJU-GMTAPVOTSA-N 0 3 241.335 0.151 20 0 BCADHN COC[C@H](NC(=O)C(C)(C)N)C1CC1 ZINC000125391066 590163144 /nfs/dbraw/zinc/16/31/44/590163144.db2.gz BIMINNFRHCMMCQ-QMMMGPOBSA-N 0 3 200.282 0.265 20 0 BCADHN CC1=NO[C@@H](CNC(=O)NC[C@H](C)N(C)C)C1 ZINC000875957548 590179665 /nfs/dbraw/zinc/17/96/65/590179665.db2.gz OIFKYJUKHMYZNG-VHSXEESVSA-N 0 3 242.323 0.401 20 0 BCADHN COCC(C)(C)CCNC(=O)NCCN(C)C ZINC000876324467 590195197 /nfs/dbraw/zinc/19/51/97/590195197.db2.gz XPPFGLWVBSTAJD-UHFFFAOYSA-N 0 3 245.367 0.910 20 0 BCADHN CCC[C@@H](CC)C(=O)N1CCN(C)C[C@H]1CN ZINC000876542184 590212626 /nfs/dbraw/zinc/21/26/26/590212626.db2.gz LGCZSAHNWNMDTJ-VXGBXAGGSA-N 0 3 241.379 0.914 20 0 BCADHN CCOCCOC[C@@H](O)CNCc1ccoc1 ZINC000126020680 590215024 /nfs/dbraw/zinc/21/50/24/590215024.db2.gz DLRPRTNDWVSEND-LBPRGKRZSA-N 0 3 243.303 0.783 20 0 BCADHN CC[C@](C)(CN1CCCNC(=O)C1)OC ZINC000876639850 590224875 /nfs/dbraw/zinc/22/48/75/590224875.db2.gz KHTBZRCFBCRNCI-LLVKDONJSA-N 0 3 214.309 0.623 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000876642909 590225433 /nfs/dbraw/zinc/22/54/33/590225433.db2.gz PANKZVFCLHPSKT-WDEREUQCSA-N 0 3 241.379 0.912 20 0 BCADHN CCN[C@@H](C)C(=O)NCC(=O)OCC1CC1 ZINC000876641874 590225846 /nfs/dbraw/zinc/22/58/46/590225846.db2.gz PBNISDVAXAILDP-QMMMGPOBSA-N 0 3 228.292 0.054 20 0 BCADHN C[C@@H]1CCC[C@@H](C)N(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876670567 590228552 /nfs/dbraw/zinc/22/85/52/590228552.db2.gz MHFFSBXFJRSKGH-UTUOFQBUSA-N 0 3 241.379 0.912 20 0 BCADHN CC/C=C(\F)C(=O)NCCNCCOC ZINC000876791647 590241944 /nfs/dbraw/zinc/24/19/44/590241944.db2.gz GWCFAKJXTSHBHO-WTKPLQERSA-N 0 3 218.272 0.602 20 0 BCADHN Cc1cc(NC(=O)[C@@H]2OCC[C@@H]2N)ccc1N ZINC000876804679 590244418 /nfs/dbraw/zinc/24/44/18/590244418.db2.gz RORXWAQJOYESJX-WDEREUQCSA-N 0 3 235.287 0.632 20 0 BCADHN CC1(C)CN(C(=O)C2(F)CCOCC2)CCN1 ZINC000876871249 590251977 /nfs/dbraw/zinc/25/19/77/590251977.db2.gz HYEZKCPHQTZPDX-UHFFFAOYSA-N 0 3 244.310 0.716 20 0 BCADHN OCCCNCc1ccc(Cl)nn1 ZINC000876887396 590254391 /nfs/dbraw/zinc/25/43/91/590254391.db2.gz WGMRNUCYYDOEQJ-UHFFFAOYSA-N 0 3 201.657 0.602 20 0 BCADHN Cn1ncc(CN)c1C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000876932739 590258598 /nfs/dbraw/zinc/25/85/98/590258598.db2.gz VARPHYWIDLRDNN-WDEREUQCSA-N 0 3 248.330 0.797 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC/C=C\c1ccccc1 ZINC000876942677 590259607 /nfs/dbraw/zinc/25/96/07/590259607.db2.gz AZOWKGOGDPYMAL-XURPKSDJSA-N 0 3 247.342 0.705 20 0 BCADHN CCN[C@H](C)C(=O)N1CC[C@@](F)(C(=O)OC)C1 ZINC000876956483 590259714 /nfs/dbraw/zinc/25/97/14/590259714.db2.gz LJWLRKGVUQJOTI-KCJUWKMLSA-N 0 3 246.282 0.098 20 0 BCADHN CNC(=O)CCCNCc1ccc(Cl)nn1 ZINC000876983867 590264611 /nfs/dbraw/zinc/26/46/11/590264611.db2.gz ZBLDOYPGCIIWQH-UHFFFAOYSA-N 0 3 242.710 0.746 20 0 BCADHN CCNCC(=O)NCC[C@@H]1CCCOC1 ZINC000876990830 590266507 /nfs/dbraw/zinc/26/65/07/590266507.db2.gz NOBNGUVHJXRWNQ-JTQLQIEISA-N 0 3 214.309 0.529 20 0 BCADHN COC(=O)C1=CC[C@H](NC(=O)CNC2CC2)C1 ZINC000877001954 590267953 /nfs/dbraw/zinc/26/79/53/590267953.db2.gz LYUQFMKZVGBAGU-JTQLQIEISA-N 0 3 238.287 0.116 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@]12C[C@H]1COC2(C)C ZINC000877004213 590268133 /nfs/dbraw/zinc/26/81/33/590268133.db2.gz IPXWQTYBSHZSHM-MWODSPESSA-N 0 3 238.331 0.811 20 0 BCADHN CCS(=O)(=O)CCNCCC[C@H]1CCO1 ZINC000877005781 590268461 /nfs/dbraw/zinc/26/84/61/590268461.db2.gz MMOIWMOOGWWRRZ-JTQLQIEISA-N 0 3 235.349 0.580 20 0 BCADHN CN1CC[C@H](NCc2ccc(Cl)nn2)C1 ZINC000877019023 590269215 /nfs/dbraw/zinc/26/92/15/590269215.db2.gz DSDBTDMRXHXPDP-VIFPVBQESA-N 0 3 226.711 0.924 20 0 BCADHN NC[C@@H]1CC(C(=O)N(C2CC2)C2CC2)=NO1 ZINC000877024314 590270272 /nfs/dbraw/zinc/27/02/72/590270272.db2.gz ZDDIPDBALOZEFV-VIFPVBQESA-N 0 3 223.276 0.243 20 0 BCADHN NC[C@H]1CC(C(=O)N(C2CC2)C2CC2)=NO1 ZINC000877024313 590270600 /nfs/dbraw/zinc/27/06/00/590270600.db2.gz ZDDIPDBALOZEFV-SECBINFHSA-N 0 3 223.276 0.243 20 0 BCADHN Cc1ncccc1CNC(=O)[C@@]1(F)CCNC1 ZINC000877032894 590272282 /nfs/dbraw/zinc/27/22/82/590272282.db2.gz SGHWEGPWQSNANM-GFCCVEGCSA-N 0 3 237.278 0.708 20 0 BCADHN Nc1c(Cl)cccc1CNC(CO)CO ZINC000877065617 590276484 /nfs/dbraw/zinc/27/64/84/590276484.db2.gz SKGYXVZISHDMCV-UHFFFAOYSA-N 0 3 230.695 0.365 20 0 BCADHN O=C(N[C@@H]1CO[C@@H](C2CC2)C1)[C@]1(F)CCNC1 ZINC000877065804 590276883 /nfs/dbraw/zinc/27/68/83/590276883.db2.gz WNINYXXZPLCNEL-UMNHJUIQSA-N 0 3 242.294 0.372 20 0 BCADHN COC(=O)N1CC(N[C@@H]2CS[C@H](C)C2)C1 ZINC000877098665 590282451 /nfs/dbraw/zinc/28/24/51/590282451.db2.gz UVSXQLWBKJGUMV-SFYZADRCSA-N 0 3 230.333 0.921 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](C)C(=O)N(C)OC ZINC000877107681 590286038 /nfs/dbraw/zinc/28/60/38/590286038.db2.gz CCBIYEVGTXRFPQ-LDYMZIIASA-N 0 3 245.323 0.028 20 0 BCADHN CO[C@H](CNCC1(C)OCCO1)C1CC1 ZINC000877118301 590288378 /nfs/dbraw/zinc/28/83/78/590288378.db2.gz VMLFWHDUDMMVGG-SNVBAGLBSA-N 0 3 215.293 0.764 20 0 BCADHN CC1(CNC2CC(n3cccn3)C2)OCCO1 ZINC000877118041 590288691 /nfs/dbraw/zinc/28/86/91/590288691.db2.gz JSISZHXTANQTDT-UHFFFAOYSA-N 0 3 237.303 0.939 20 0 BCADHN COc1cncc(NC(=O)[C@H]2CCN2)c1 ZINC000877131552 590290363 /nfs/dbraw/zinc/29/03/63/590290363.db2.gz CYDBNRCCXXMEOX-SECBINFHSA-N 0 3 207.233 0.391 20 0 BCADHN CC[C@@](C)(NC(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000877147075 590292161 /nfs/dbraw/zinc/29/21/61/590292161.db2.gz ZMDQVQDIWRGVAA-BXKDBHETSA-N 0 3 239.319 0.785 20 0 BCADHN C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(N)cc1[O-] ZINC000877171163 590295715 /nfs/dbraw/zinc/29/57/15/590295715.db2.gz AINGAEHBYBEDKG-IONNQARKSA-N 0 3 235.287 0.536 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@H]1CCCC[C@H]1F ZINC000877179544 590297898 /nfs/dbraw/zinc/29/78/98/590297898.db2.gz WDZNVDOFNAPSKX-MXWKQRLJSA-N 0 3 244.310 0.762 20 0 BCADHN CC(C)(N)C(=O)NCc1ccnc(F)c1 ZINC000877202230 590300778 /nfs/dbraw/zinc/30/07/78/590300778.db2.gz FUPGXGDYMPSFCV-UHFFFAOYSA-N 0 3 211.240 0.574 20 0 BCADHN O=C(N[C@@H]1C[C@H]1C(F)(F)F)[C@]1(F)CCNC1 ZINC000877220293 590301515 /nfs/dbraw/zinc/30/15/15/590301515.db2.gz FXGFHLHIAGQQBK-JKMUOGBPSA-N 0 3 240.200 0.755 20 0 BCADHN CC1(NC(=O)[C@@]2(F)CCNC2)CCOCC1 ZINC000877233647 590301914 /nfs/dbraw/zinc/30/19/14/590301914.db2.gz ZNQYLUULZIRBPL-LLVKDONJSA-N 0 3 230.283 0.373 20 0 BCADHN NCC(=O)NCCSCCC(F)(F)F ZINC000877241552 590302350 /nfs/dbraw/zinc/30/23/50/590302350.db2.gz SNPIRSCWYZCIHV-UHFFFAOYSA-N 0 3 230.255 0.747 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000877249972 590303490 /nfs/dbraw/zinc/30/34/90/590303490.db2.gz CZGBEKFVBGNDJA-VHSXEESVSA-N 0 3 242.363 0.979 20 0 BCADHN CC1(C)C[C@@H](O)CN(C(=O)C2(N)CC2)C1 ZINC000877249715 590303943 /nfs/dbraw/zinc/30/39/43/590303943.db2.gz CHJXXUFPXZTJSY-MRVPVSSYSA-N 0 3 212.293 0.097 20 0 BCADHN NCC(=O)N1Cc2cccnc2N2CCC[C@H]2C1 ZINC000877265006 590304783 /nfs/dbraw/zinc/30/47/83/590304783.db2.gz FBEQBNKICQSUBN-NSHDSACASA-N 0 3 246.314 0.351 20 0 BCADHN C[C@H](NC(=O)CN)c1cc2cnccc2o1 ZINC000877269273 590305061 /nfs/dbraw/zinc/30/50/61/590305061.db2.gz CVLGNCUIVWEBKK-ZETCQYMHSA-N 0 3 219.244 0.964 20 0 BCADHN O=C(CNC1CC1)N1CCO[C@@H](C(F)F)C1 ZINC000877298215 590308352 /nfs/dbraw/zinc/30/83/52/590308352.db2.gz CGBKHBYETOZEMA-MRVPVSSYSA-N 0 3 234.246 0.231 20 0 BCADHN CC(C)NCC(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877299668 590308362 /nfs/dbraw/zinc/30/83/62/590308362.db2.gz MPRFRFDCBLOZIX-MRVPVSSYSA-N 0 3 236.262 0.477 20 0 BCADHN CC[C@H](N)C(=O)N1CCC(C(C)=O)CC1 ZINC000877302207 590309608 /nfs/dbraw/zinc/30/96/08/590309608.db2.gz XKMSCSMVBXAAAI-JTQLQIEISA-N 0 3 212.293 0.551 20 0 BCADHN CC(=O)C1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000877301737 590309698 /nfs/dbraw/zinc/30/96/98/590309698.db2.gz LVPLAYQLBKAOJE-GFCCVEGCSA-N 0 3 238.331 0.941 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCC[C@H]1C=CCC1 ZINC000877308075 590311341 /nfs/dbraw/zinc/31/13/41/590311341.db2.gz OOOZPRBOCHAZET-RYUDHWBXSA-N 0 3 239.363 0.738 20 0 BCADHN O=C(CNC1CC1)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877310659 590312082 /nfs/dbraw/zinc/31/20/82/590312082.db2.gz PPONDCSXFDTUQR-USWWRNFRSA-N 0 3 238.331 0.812 20 0 BCADHN C[C@H](O)CN(C)Cc1cnc2c(cnn2C)c1 ZINC000877320554 590315044 /nfs/dbraw/zinc/31/50/44/590315044.db2.gz LNQCMORFLWSMRL-VIFPVBQESA-N 0 3 234.303 0.781 20 0 BCADHN OC[C@]1(NC[C@@H]2CC2(Cl)Cl)CCOC1 ZINC000877337289 590318128 /nfs/dbraw/zinc/31/81/28/590318128.db2.gz XMUOMGYBHNXKPO-JGVFFNPUSA-N 0 3 240.130 0.921 20 0 BCADHN Cc1csc([C@@H]2CCN(C(=O)CN)C2)n1 ZINC000877351973 590318683 /nfs/dbraw/zinc/31/86/83/590318683.db2.gz SSIRQMZGCCXQFE-MRVPVSSYSA-N 0 3 225.317 0.726 20 0 BCADHN COC(=O)CC[C@H]1CCCN(C(=O)CN)C1 ZINC000877381561 590320556 /nfs/dbraw/zinc/32/05/56/590320556.db2.gz IVQJLOYXWHNQGD-SECBINFHSA-N 0 3 228.292 0.137 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)c1nccnc1C ZINC000877430778 590325853 /nfs/dbraw/zinc/32/58/53/590325853.db2.gz QYXCOTRNDWIIKS-NXEZZACHSA-N 0 3 236.319 0.960 20 0 BCADHN Cc1nccnc1[C@H](C)NC(=O)CNC1CC1 ZINC000877431947 590326190 /nfs/dbraw/zinc/32/61/90/590326190.db2.gz PVJTYQZQNCJMFC-VIFPVBQESA-N 0 3 234.303 0.714 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)c1nccnc1C ZINC000877430779 590326214 /nfs/dbraw/zinc/32/62/14/590326214.db2.gz QYXCOTRNDWIIKS-UWVGGRQHSA-N 0 3 236.319 0.960 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)c1nccnc1C ZINC000877431436 590326285 /nfs/dbraw/zinc/32/62/85/590326285.db2.gz FZQRGZYHTCNJTD-DTWKUNHWSA-N 0 3 222.292 0.700 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)c1nccnc1C ZINC000877431438 590326402 /nfs/dbraw/zinc/32/64/02/590326402.db2.gz FZQRGZYHTCNJTD-RKDXNWHRSA-N 0 3 222.292 0.700 20 0 BCADHN CNCC(=O)N(C)C1(COC)CCC1 ZINC000877453975 590329442 /nfs/dbraw/zinc/32/94/42/590329442.db2.gz MMKNHPBVDPPEMB-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN CO[C@]1(CNCC2(C)OCCCO2)CCOC1 ZINC000877474566 590336090 /nfs/dbraw/zinc/33/60/90/590336090.db2.gz BDLBFNGPKUMYNK-LBPRGKRZSA-N 0 3 245.319 0.535 20 0 BCADHN O[C@H](CNCc1ccc(Cl)nn1)C1CC1 ZINC000877526980 590348298 /nfs/dbraw/zinc/34/82/98/590348298.db2.gz WZGKKRWFEUWBCK-SECBINFHSA-N 0 3 227.695 0.991 20 0 BCADHN C[C@H](NCCS(=O)(=O)C1CC1)[C@H]1CCCO1 ZINC000877590664 590368738 /nfs/dbraw/zinc/36/87/38/590368738.db2.gz CXYLCDRQRYJWJE-GXSJLCMTSA-N 0 3 247.360 0.721 20 0 BCADHN CCON(C)C(=O)CN[C@@H](C)[C@@H](C)OC ZINC000877611835 590372495 /nfs/dbraw/zinc/37/24/95/590372495.db2.gz BUJMEVAOVLWUEO-DTWKUNHWSA-N 0 3 218.297 0.409 20 0 BCADHN CCON(C)C(=O)CNC[C@](C)(CC)OC ZINC000877612650 590372519 /nfs/dbraw/zinc/37/25/19/590372519.db2.gz SNFXFPGNXVDLJS-NSHDSACASA-N 0 3 232.324 0.801 20 0 BCADHN O=C1NCC[C@@H]1NC[C@@H]1CC1(Cl)Cl ZINC000877619541 590375390 /nfs/dbraw/zinc/37/53/90/590375390.db2.gz CSFHVBCBTZCZLA-WDSKDSINSA-N 0 3 223.103 0.658 20 0 BCADHN O=CN1CCCN(CCC2CCOCC2)CC1 ZINC000877642924 590382289 /nfs/dbraw/zinc/38/22/89/590382289.db2.gz XMKDYVYHRGJSHV-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CCC[C@@H](CN1CCCN(C=O)CC1)OC ZINC000877641851 590382470 /nfs/dbraw/zinc/38/24/70/590382470.db2.gz CBEOOCBEBRSXCJ-LBPRGKRZSA-N 0 3 228.336 0.966 20 0 BCADHN CO[C@@H](CN[C@H](C)C(=O)N(C)OC)C1CC1 ZINC000877661293 590386763 /nfs/dbraw/zinc/38/67/63/590386763.db2.gz YPWKXDRHTADQSG-SCZZXKLOSA-N 0 3 230.308 0.409 20 0 BCADHN CC[C@@](C)(CN[C@@H](C)C(=O)N(C)OC)OC ZINC000877661286 590387063 /nfs/dbraw/zinc/38/70/63/590387063.db2.gz YGERINUSIUZZMQ-ONGXEEELSA-N 0 3 232.324 0.799 20 0 BCADHN C[C@H](C[S@@](C)=O)N(C)CC[C@@H]1CCOC1=O ZINC000126650316 590391776 /nfs/dbraw/zinc/39/17/76/590391776.db2.gz SSSABGUMLOWVFM-LYGAQUJYSA-N 0 3 247.360 0.638 20 0 BCADHN CC1(NCC2CCS(=O)(=O)CC2)COC1 ZINC000877690587 590393362 /nfs/dbraw/zinc/39/33/62/590393362.db2.gz BPULFAMWJIKVFF-UHFFFAOYSA-N 0 3 233.333 0.190 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1CNCc1ccoc1 ZINC000877727542 590403199 /nfs/dbraw/zinc/40/31/99/590403199.db2.gz YLHOUFVNGILGST-GHMZBOCLSA-N 0 3 239.271 0.947 20 0 BCADHN Cc1ccccc1CN1CC[C@@H](O)[C@@H](O)C1 ZINC000877748739 590413531 /nfs/dbraw/zinc/41/35/31/590413531.db2.gz KUTMCTFADBZBJY-OLZOCXBDSA-N 0 3 221.300 0.923 20 0 BCADHN CO[C@H](CN1CC[C@@H](O)[C@@H](O)C1)C1CCCC1 ZINC000877750467 590413973 /nfs/dbraw/zinc/41/39/73/590413973.db2.gz PYPKDHQPYRJVFL-FRRDWIJNSA-N 0 3 243.347 0.619 20 0 BCADHN Cn1cccc1CN1C[C@H](CO)[C@H](CO)C1 ZINC000877764535 590420766 /nfs/dbraw/zinc/42/07/66/590420766.db2.gz HDRFGMDSHIZEAO-PHIMTYICSA-N 0 3 224.304 0.058 20 0 BCADHN Cc1n[nH]cc1CN1CCC2(CCNC2=O)CC1 ZINC000877783243 590424007 /nfs/dbraw/zinc/42/40/07/590424007.db2.gz LCHLADAIYLZRKM-UHFFFAOYSA-N 0 3 248.330 0.820 20 0 BCADHN C[C@@H](CN1C(=O)[C@H]2CSCN2C1=O)N(C)C ZINC000877889595 590440146 /nfs/dbraw/zinc/44/01/46/590440146.db2.gz IWVHLIYDSWODRR-JGVFFNPUSA-N 0 3 243.332 0.274 20 0 BCADHN CC(C)[C@H](O)CCN1CCN(CCO)CC1 ZINC000877935662 590452247 /nfs/dbraw/zinc/45/22/47/590452247.db2.gz QIHUNCGSTMDJIT-GFCCVEGCSA-N 0 3 230.352 0.003 20 0 BCADHN CC(C)[C@H](O)CCN1CCCC[C@@H]1C(N)=O ZINC000877941846 590453645 /nfs/dbraw/zinc/45/36/45/590453645.db2.gz NPXDILZVLDIISX-GHMZBOCLSA-N 0 3 228.336 0.733 20 0 BCADHN CC(C)[C@H](O)CCN1CCC[C@H]1C(=O)N(C)C ZINC000877944511 590453913 /nfs/dbraw/zinc/45/39/13/590453913.db2.gz YASVHRCFYQOXMZ-NWDGAFQWSA-N 0 3 242.363 0.946 20 0 BCADHN CN(CCO)C[C@H]1CCC2(CCOCC2)CO1 ZINC000877949559 590454560 /nfs/dbraw/zinc/45/45/60/590454560.db2.gz JZJRQFMEQDGLHN-GFCCVEGCSA-N 0 3 243.347 0.886 20 0 BCADHN COCCN1CCN(CC[C@H](O)C(C)C)CC1 ZINC000877951622 590455017 /nfs/dbraw/zinc/45/50/17/590455017.db2.gz YYMNCCZOBQTURB-ZDUSSCGKSA-N 0 3 244.379 0.657 20 0 BCADHN CCCCN(CC(N)=O)C[C@H]1C[C@@H](OC)C1 ZINC000877970730 590462017 /nfs/dbraw/zinc/46/20/17/590462017.db2.gz SAFZSSRGYMLPHT-PHIMTYICSA-N 0 3 228.336 0.999 20 0 BCADHN COCCN(C)C[C@H](O)CC1(CO)CCCC1 ZINC000877986521 590465627 /nfs/dbraw/zinc/46/56/27/590465627.db2.gz NIEJSWFTMUINSQ-GFCCVEGCSA-N 0 3 245.363 0.868 20 0 BCADHN CCCN(CC[C@H](O)C(C)C)CC(=O)NC ZINC000877986681 590465705 /nfs/dbraw/zinc/46/57/05/590465705.db2.gz RTCIODXLFXKLMS-NSHDSACASA-N 0 3 230.352 0.851 20 0 BCADHN CN(CCc1nnnn1C)C[C@H]1CCCCO1 ZINC000877990016 590466326 /nfs/dbraw/zinc/46/63/26/590466326.db2.gz LOURKCWTUVFBCO-SNVBAGLBSA-N 0 3 239.323 0.254 20 0 BCADHN CCN(CC(=O)NC)C[C@H]1CCO[C@H]1C ZINC000877987092 590466370 /nfs/dbraw/zinc/46/63/70/590466370.db2.gz ZOQZZGXTOXPURQ-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN CNC(=O)[C@H]1CCCN1CC[C@H](O)C(C)C ZINC000877992100 590467324 /nfs/dbraw/zinc/46/73/24/590467324.db2.gz WWBNTSTYUZMALB-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN CCN(CCOC)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000877993497 590467707 /nfs/dbraw/zinc/46/77/07/590467707.db2.gz OIUCZBRMLZPMQJ-QWHCGFSZSA-N 0 3 245.363 0.867 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@H]1C[C@@H](OC)C1 ZINC000877990520 590468205 /nfs/dbraw/zinc/46/82/05/590468205.db2.gz GWODGOYNXVCLLJ-AXFHLTTASA-N 0 3 226.320 0.622 20 0 BCADHN O[C@H](CN1CCCOCC1)CC1(O)CCCC1 ZINC000878013571 590471198 /nfs/dbraw/zinc/47/11/98/590471198.db2.gz AFEWCTNKGCCDRH-LBPRGKRZSA-N 0 3 243.347 0.765 20 0 BCADHN CCN(CCn1cnnn1)C[C@H]1CCCO1 ZINC000878015378 590471986 /nfs/dbraw/zinc/47/19/86/590471986.db2.gz BPZFOADBAZUNRN-SNVBAGLBSA-N 0 3 225.296 0.174 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1CC[C@H](O)C(C)C ZINC000878034365 590475922 /nfs/dbraw/zinc/47/59/22/590475922.db2.gz DJSHRIGTQHELON-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CCN(CCO)C[C@@H](O)CC1(O)CCCCC1 ZINC000878050043 590482216 /nfs/dbraw/zinc/48/22/16/590482216.db2.gz PMCDLOIBNQXFBV-LBPRGKRZSA-N 0 3 245.363 0.747 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)O)CCS1 ZINC000878054948 590483378 /nfs/dbraw/zinc/48/33/78/590483378.db2.gz KAVGVWBIGIJGMX-ZJUUUORDSA-N 0 3 233.377 0.946 20 0 BCADHN NC(=O)c1ccc(CCN2CC[C@H](O)C2)cc1 ZINC000878053774 590483700 /nfs/dbraw/zinc/48/37/00/590483700.db2.gz PAMWACWYXZSCSA-LBPRGKRZSA-N 0 3 234.299 0.395 20 0 BCADHN O[C@H](CN1CC[C@H](O)C1)CC1(O)CCCCC1 ZINC000878053818 590484050 /nfs/dbraw/zinc/48/40/50/590484050.db2.gz QKOPWJQYUJXGRC-RYUDHWBXSA-N 0 3 243.347 0.499 20 0 BCADHN CN(C[C@@H](O)CC1(O)CCCC1)[C@H]1CCOC1 ZINC000878083949 590488696 /nfs/dbraw/zinc/48/86/96/590488696.db2.gz KJYBJRDZSZAYQQ-RYUDHWBXSA-N 0 3 243.347 0.763 20 0 BCADHN CC(C)OC1CCN(CCn2cnnn2)CC1 ZINC000878085311 590489562 /nfs/dbraw/zinc/48/95/62/590489562.db2.gz QZUZWDPAYFRXGM-UHFFFAOYSA-N 0 3 239.323 0.563 20 0 BCADHN CN(CCn1cccn1)C[C@@H](O)CC(C)(C)O ZINC000878096622 590492331 /nfs/dbraw/zinc/49/23/31/590492331.db2.gz VULLQXHEWXHZBR-NSHDSACASA-N 0 3 241.335 0.337 20 0 BCADHN COC[C@H]1CCCN(CCc2nnnn2C)C1 ZINC000878102770 590493837 /nfs/dbraw/zinc/49/38/37/590493837.db2.gz INRXPUVJJCBFIJ-JTQLQIEISA-N 0 3 239.323 0.111 20 0 BCADHN CC1(C)CN(CCn2cnnn2)CCCO1 ZINC000878114566 590498143 /nfs/dbraw/zinc/49/81/43/590498143.db2.gz YKXJTUYJNFRZJQ-UHFFFAOYSA-N 0 3 225.296 0.174 20 0 BCADHN C[C@@H]1CN(CCn2cnnn2)C[C@H](C)S1 ZINC000878137041 590505151 /nfs/dbraw/zinc/50/51/51/590505151.db2.gz NDXUBVKRZGERTD-DTORHVGOSA-N 0 3 227.337 0.499 20 0 BCADHN CO[C@@H]1CCN(C[C@H](O)CC(C)(C)O)C1 ZINC000878165899 590512577 /nfs/dbraw/zinc/51/25/77/590512577.db2.gz HCMJSOIVXXOVFJ-NXEZZACHSA-N 0 3 217.309 0.229 20 0 BCADHN C[C@@]1(O)CCN(C[C@H](O)CC2(O)CCCC2)C1 ZINC000878165928 590512735 /nfs/dbraw/zinc/51/27/35/590512735.db2.gz HSROTJDBSVAEIO-VXGBXAGGSA-N 0 3 243.347 0.499 20 0 BCADHN CC(C)(O)C[C@H](O)CN1CCC(C)(O)CC1 ZINC000878191702 590520547 /nfs/dbraw/zinc/52/05/47/590520547.db2.gz ZIIKHBAMFWGJHU-JTQLQIEISA-N 0 3 231.336 0.355 20 0 BCADHN c1nc(C2CCN(CCn3cnnn3)CC2)c[nH]1 ZINC000878267192 590531831 /nfs/dbraw/zinc/53/18/31/590531831.db2.gz QRQFVLAZPWOVIG-UHFFFAOYSA-N 0 3 247.306 0.276 20 0 BCADHN CO[C@H]1C[C@@H](CN(C)[C@H]2CCNC2=O)C1 ZINC000878307405 590540007 /nfs/dbraw/zinc/54/00/07/590540007.db2.gz ORIGHSFPTDAXDZ-AEJSXWLSSA-N 0 3 212.293 0.232 20 0 BCADHN C[C@@H]1CN(CCc2cnccn2)CCN1C ZINC000878316668 590543062 /nfs/dbraw/zinc/54/30/62/590543062.db2.gz LDHNPTHLNOMWQC-LLVKDONJSA-N 0 3 220.320 0.655 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCOC[C@H]1CCO ZINC000878318741 590543695 /nfs/dbraw/zinc/54/36/95/590543695.db2.gz XBXWTRKJKWPBKC-QJPTWQEYSA-N 0 3 229.320 0.495 20 0 BCADHN CC(C)[C@H](O)CCN1CCSC[C@H]1CO ZINC000878327658 590547173 /nfs/dbraw/zinc/54/71/73/590547173.db2.gz PAWLLVLFYKBYSV-GHMZBOCLSA-N 0 3 233.377 0.803 20 0 BCADHN CC(C)[C@@H](O)CCN(C)CCNC(=O)N(C)C ZINC000878336589 590549838 /nfs/dbraw/zinc/54/98/38/590549838.db2.gz KGSPAJZJJNSNHA-NSHDSACASA-N 0 3 245.367 0.596 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)O)[C@@H](C)CN1C ZINC000878336500 590550001 /nfs/dbraw/zinc/55/00/01/590550001.db2.gz ZBOZBWKKWMNFKJ-WOPDTQHZSA-N 0 3 244.379 0.533 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCN(C)[C@H](C)[C@@H]1C ZINC000878339870 590550976 /nfs/dbraw/zinc/55/09/76/590550976.db2.gz MFWWHKSNAHSBHR-AGIUHOORSA-N 0 3 244.379 0.797 20 0 BCADHN C=C/C=C/CCN1CCC[C@H](S(N)(=O)=O)C1 ZINC000878343497 590552923 /nfs/dbraw/zinc/55/29/23/590552923.db2.gz YLPRXIZVBJCMPS-UFFNRZRYSA-N 0 3 244.360 0.872 20 0 BCADHN COC[C@H](NCCn1cnnn1)c1ccccc1 ZINC000878357416 590553693 /nfs/dbraw/zinc/55/36/93/590553693.db2.gz JDOKNFBMFBFWAE-LBPRGKRZSA-N 0 3 247.302 0.650 20 0 BCADHN CN1CCC(NC(=O)CN2CC=CCC2)CC1 ZINC000878383955 590558231 /nfs/dbraw/zinc/55/82/31/590558231.db2.gz GFZZTZKKAGVSEY-UHFFFAOYSA-N 0 3 237.347 0.459 20 0 BCADHN NC(=O)C1(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000878386489 590558755 /nfs/dbraw/zinc/55/87/55/590558755.db2.gz ZUFXWQDYKKWUEM-GUBZILKMSA-N 0 3 224.304 0.552 20 0 BCADHN CCc1cnccc1[C@H](C)NCCn1cnnn1 ZINC000878402491 590560825 /nfs/dbraw/zinc/56/08/25/590560825.db2.gz GAGUOHGCYOTDBI-JTQLQIEISA-N 0 3 246.318 0.981 20 0 BCADHN O=C1[C@H](N[C@H](CO)C2CC2)CCN1C1CCC1 ZINC000878419912 590564110 /nfs/dbraw/zinc/56/41/10/590564110.db2.gz KIDWXCJPAZCJBL-VXGBXAGGSA-N 0 3 238.331 0.500 20 0 BCADHN CC(C)[C@H](O)CCN1CCN2CCOC[C@H]2C1 ZINC000878429375 590566258 /nfs/dbraw/zinc/56/62/58/590566258.db2.gz FWSJJJKQLHSIQZ-CHWSQXEVSA-N 0 3 242.363 0.410 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878442394 590568775 /nfs/dbraw/zinc/56/87/75/590568775.db2.gz MVYSMAFZHRJTHL-FHUSYTEZSA-N 0 3 241.331 0.372 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)O)CC[C@H]1O ZINC000878464019 590571416 /nfs/dbraw/zinc/57/14/16/590571416.db2.gz NJKMLDKYQAUKDU-OUAUKWLOSA-N 0 3 231.336 0.211 20 0 BCADHN CN(C[C@@H](O)CC(C)(C)O)CC1(CO)CC1 ZINC000878482818 590577477 /nfs/dbraw/zinc/57/74/77/590577477.db2.gz ZGQBCOQWQLCJNH-JTQLQIEISA-N 0 3 231.336 0.213 20 0 BCADHN CO[C@@H]1CN(CCn2cnnn2)CC[C@H]1C ZINC000878483798 590577639 /nfs/dbraw/zinc/57/76/39/590577639.db2.gz QUERXNAFURCUDA-NXEZZACHSA-N 0 3 225.296 0.030 20 0 BCADHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CCn1cnnn1 ZINC000878486874 590578011 /nfs/dbraw/zinc/57/80/11/590578011.db2.gz IVYCDZMUUIMFFW-VWYCJHECSA-N 0 3 239.323 0.154 20 0 BCADHN CC(C)[C@H](O)CCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000878500719 590580508 /nfs/dbraw/zinc/58/05/08/590580508.db2.gz IRDVVOARELVVGX-TUAOUCFPSA-N 0 3 231.336 0.069 20 0 BCADHN C[C@@H]1CCC[C@@H]1NCc1nnc2c(=O)[nH]ccn12 ZINC000878507284 590582826 /nfs/dbraw/zinc/58/28/26/590582826.db2.gz LHKNKWQSGMKYAX-BDAKNGLRSA-N 0 3 247.302 0.696 20 0 BCADHN CN(CCCO)C[C@H](O)CC1(O)CCCC1 ZINC000878555771 590592195 /nfs/dbraw/zinc/59/21/95/590592195.db2.gz GJIFWXAEYLUGHD-LLVKDONJSA-N 0 3 231.336 0.357 20 0 BCADHN CN(CCC(N)=O)C[C@H]1CCC(C)(C)CO1 ZINC000878612622 590596210 /nfs/dbraw/zinc/59/62/10/590596210.db2.gz SQQWHUNKPJVBMT-SNVBAGLBSA-N 0 3 228.336 0.999 20 0 BCADHN CO[C@H](C)CN(C)C[C@@H](O)CC(C)(C)O ZINC000878613823 590596340 /nfs/dbraw/zinc/59/63/40/590596340.db2.gz XLZOSUQTPUWDDO-ZJUUUORDSA-N 0 3 219.325 0.475 20 0 BCADHN CCN(CCNC(=O)COC1CC1)C1CC1 ZINC000878621134 590596956 /nfs/dbraw/zinc/59/69/56/590596956.db2.gz FPSNHXQLBOBOHN-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CCOC1(C)CCN(CCn2cnnn2)CC1 ZINC000878639295 590598972 /nfs/dbraw/zinc/59/89/72/590598972.db2.gz GXKFOPFWQOXGPH-UHFFFAOYSA-N 0 3 239.323 0.564 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)COC1CC1 ZINC000878652976 590602321 /nfs/dbraw/zinc/60/23/21/590602321.db2.gz YLIFHVHLOHMROZ-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@H](O)CC(C)(C)O ZINC000878655988 590603335 /nfs/dbraw/zinc/60/33/35/590603335.db2.gz DYVFLEHRPWTASF-NWDGAFQWSA-N 0 3 244.379 0.534 20 0 BCADHN CC(=O)C1CCN(C[C@@H](O)CC(C)(C)O)CC1 ZINC000878670128 590606612 /nfs/dbraw/zinc/60/66/12/590606612.db2.gz HEOHCSIYKBZNNQ-LBPRGKRZSA-N 0 3 243.347 0.809 20 0 BCADHN CO[C@@H]1CN(CC[C@@H](O)C(C)C)C[C@H]1O ZINC000878682133 590608673 /nfs/dbraw/zinc/60/86/73/590608673.db2.gz FJTJXOACSRSLJE-GMTAPVOTSA-N 0 3 217.309 0.085 20 0 BCADHN CO[C@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000878679058 590608850 /nfs/dbraw/zinc/60/88/50/590608850.db2.gz RDEBLOUOWSUMEP-ZJUUUORDSA-N 0 3 225.296 0.030 20 0 BCADHN CC(C)OC[C@@H](O)CN1CC[C@@H](O)[C@H]1C ZINC000878683988 590609466 /nfs/dbraw/zinc/60/94/66/590609466.db2.gz CCFUYUKHTCQLDP-OUAUKWLOSA-N 0 3 217.309 0.227 20 0 BCADHN CN(C)C(=O)[C@H]1CCN(Cc2cnc[nH]2)C1 ZINC000878710010 590614001 /nfs/dbraw/zinc/61/40/01/590614001.db2.gz ZIPQIEUVEDOQNN-VIFPVBQESA-N 0 3 222.292 0.320 20 0 BCADHN CC(C)O[C@@H]1CCN(CCn2cnnn2)C1 ZINC000878755712 590618840 /nfs/dbraw/zinc/61/88/40/590618840.db2.gz KXRAMBQDYIGPKH-SNVBAGLBSA-N 0 3 225.296 0.172 20 0 BCADHN c1nnnn1CCN1CC[C@H](c2cccnc2)C1 ZINC000878760711 590619143 /nfs/dbraw/zinc/61/91/43/590619143.db2.gz PXFCWEVVCSLQLR-LBPRGKRZSA-N 0 3 244.302 0.558 20 0 BCADHN CCN1[C@H](C)CN(Cc2cnn(C)n2)C[C@@H]1C ZINC000878835609 590630300 /nfs/dbraw/zinc/63/03/00/590630300.db2.gz AYBBSQCWQPKLLE-PHIMTYICSA-N 0 3 237.351 0.730 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)COC2CC2)CCN1C ZINC000878961385 590661898 /nfs/dbraw/zinc/66/18/98/590661898.db2.gz WZFYSPDIXKVOCD-NXEZZACHSA-N 0 3 226.320 0.764 20 0 BCADHN FC1(F)C[C@H]2CC[C@@H](C1)N2CCn1cnnn1 ZINC000879031771 590680915 /nfs/dbraw/zinc/68/09/15/590680915.db2.gz YPBDQOODQPNBAT-DTORHVGOSA-N 0 3 243.261 0.935 20 0 BCADHN CCC[C@H](O)CN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879045016 590684975 /nfs/dbraw/zinc/68/49/75/590684975.db2.gz UWLXTKDDMVISTB-WDEREUQCSA-N 0 3 246.326 0.683 20 0 BCADHN CCCN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879047843 590687526 /nfs/dbraw/zinc/68/75/26/590687526.db2.gz NCVHCDJFQFHBMY-SECBINFHSA-N 0 3 202.273 0.932 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)COC2CC2)CN1C1CC1 ZINC000879120280 590699499 /nfs/dbraw/zinc/69/94/99/590699499.db2.gz ZUFVRXXAVRYTKI-VHSXEESVSA-N 0 3 238.331 0.907 20 0 BCADHN COC[C@@](C)(CO)NC[C@H]1CC2(CC2)C(=O)O1 ZINC000879163188 590705991 /nfs/dbraw/zinc/70/59/91/590705991.db2.gz RTFJLONSPQAHDM-MWLCHTKSSA-N 0 3 243.303 0.069 20 0 BCADHN COC[C@@](C)(CO)NC[C@@H](O)c1ccccn1 ZINC000879162919 590706169 /nfs/dbraw/zinc/70/61/69/590706169.db2.gz OMYVYVCXVBQKCF-VXGBXAGGSA-N 0 3 240.303 0.102 20 0 BCADHN CON(C)C(=O)CN(C)Cc1cn[nH]c1C ZINC000879188114 590710255 /nfs/dbraw/zinc/71/02/55/590710255.db2.gz HLMJMBZNVNXZOH-UHFFFAOYSA-N 0 3 226.280 0.170 20 0 BCADHN CC[C@]1(O)CCCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000879313135 590736743 /nfs/dbraw/zinc/73/67/43/590736743.db2.gz GGIWURMYNRKJRP-SKDRFNHKSA-N 0 3 240.303 0.029 20 0 BCADHN CO[C@H]1CC[C@H](C)N(CC(=O)N(C)C)C1 ZINC000879317579 590738673 /nfs/dbraw/zinc/73/86/73/590738673.db2.gz FYAQFUDFTPLXRN-UWVGGRQHSA-N 0 3 214.309 0.574 20 0 BCADHN CO[C@H]1CC[C@@H](C)N(CCc2nnnn2C)C1 ZINC000879327850 590747705 /nfs/dbraw/zinc/74/77/05/590747705.db2.gz ZREDXPGBGADDDY-ZJUUUORDSA-N 0 3 239.323 0.252 20 0 BCADHN CC[C@H](O)CN1CCCC[C@@H]1CNC(=O)NC ZINC000879335662 590748764 /nfs/dbraw/zinc/74/87/64/590748764.db2.gz VBQMGIWIHHPCQI-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN CNC(=O)NC[C@H]1CCCCN1CCOC ZINC000879332493 590749210 /nfs/dbraw/zinc/74/92/10/590749210.db2.gz JREKZSZRUURTEJ-SNVBAGLBSA-N 0 3 229.324 0.416 20 0 BCADHN CC[C@@H](O)CN1CCCC[C@H]1CNC(=O)NC ZINC000879335664 590750049 /nfs/dbraw/zinc/75/00/49/590750049.db2.gz VBQMGIWIHHPCQI-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN O[C@H]1C[C@H]2C[C@@H](C1)N(CC1OCCO1)C2 ZINC000879390767 590759630 /nfs/dbraw/zinc/75/96/30/590759630.db2.gz CSWQLWQPVSPHTA-UTLUCORTSA-N 0 3 213.277 0.205 20 0 BCADHN CO[C@H](C)CN(CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879486730 590778844 /nfs/dbraw/zinc/77/88/44/590778844.db2.gz PUOVSJBELXASTQ-BXKDBHETSA-N 0 3 240.347 0.997 20 0 BCADHN CCN1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879482272 590780307 /nfs/dbraw/zinc/78/03/07/590780307.db2.gz QNJPCZMMIPUAHP-SNVBAGLBSA-N 0 3 212.249 0.400 20 0 BCADHN C[C@@H](O)CN(CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879486858 590780682 /nfs/dbraw/zinc/78/06/82/590780682.db2.gz QUVSRVGUAZNPQL-KCJUWKMLSA-N 0 3 226.320 0.343 20 0 BCADHN CC(=O)CCN(CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879495033 590781889 /nfs/dbraw/zinc/78/18/89/590781889.db2.gz ZDXTZJQBQNLNLJ-GFCCVEGCSA-N 0 3 238.331 0.941 20 0 BCADHN CN1C(=O)[C@H]2CN(C/C=C/Cl)C[C@H]2C1=O ZINC000879531647 590795145 /nfs/dbraw/zinc/79/51/45/590795145.db2.gz ISROUKLIRZPUSZ-VIYBMPCISA-N 0 3 228.679 0.286 20 0 BCADHN C[C@H](C(=O)NCCN1CCC[C@H]1C)N(C)C ZINC000879537185 590796907 /nfs/dbraw/zinc/79/69/07/590796907.db2.gz UXMMVGYWCPQRQU-GHMZBOCLSA-N 0 3 227.352 0.537 20 0 BCADHN CNC(=O)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879557719 590800473 /nfs/dbraw/zinc/80/04/73/590800473.db2.gz OTDXUSIRAVORHC-BDAKNGLRSA-N 0 3 214.334 0.417 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@H]2CSC[C@H]2C1 ZINC000879562185 590802545 /nfs/dbraw/zinc/80/25/45/590802545.db2.gz BMWKEIHVGQWZNS-AXFHLTTASA-N 0 3 240.372 0.950 20 0 BCADHN CCO[C@@H](CN1CC[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000879608644 590824690 /nfs/dbraw/zinc/82/46/90/590824690.db2.gz QBJYMZHLQITUAS-WOPDTQHZSA-N 0 3 229.320 0.229 20 0 BCADHN O[C@@H]1CCN(CC2CC(F)(F)C2)C[C@@H]1O ZINC000879609060 590828562 /nfs/dbraw/zinc/82/85/62/590828562.db2.gz LFDXCGWCLOKAPL-BDAKNGLRSA-N 0 3 221.247 0.459 20 0 BCADHN CC1(C)C[C@@H](O)CN(CC2(CO)COC2)C1 ZINC000879620958 590834724 /nfs/dbraw/zinc/83/47/24/590834724.db2.gz TVXAPGHMPBCCQE-SNVBAGLBSA-N 0 3 229.320 0.088 20 0 BCADHN CN1CCC[C@H](N2C[C@H](O)CC(C)(C)C2)C1=O ZINC000879622207 590835965 /nfs/dbraw/zinc/83/59/65/590835965.db2.gz JAYSUWWJQFQMJE-MNOVXSKESA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](NCCN1CCOC1=O)c1ccnn1C ZINC000879684658 590847183 /nfs/dbraw/zinc/84/71/83/590847183.db2.gz MCGOVJSRDMAIMD-VIFPVBQESA-N 0 3 238.291 0.523 20 0 BCADHN CC(=O)[C@@](C)(O)CN[C@@H](C)c1ccnn1C ZINC000879686821 590848685 /nfs/dbraw/zinc/84/86/85/590848685.db2.gz JTBQLWYBUURWIF-KWQFWETISA-N 0 3 225.292 0.411 20 0 BCADHN C[C@@H](NC[C@H]1CCc2ncnn21)c1ccnn1C ZINC000879687992 590849995 /nfs/dbraw/zinc/84/99/95/590849995.db2.gz ZTCLMPVGSATZMC-NXEZZACHSA-N 0 3 246.318 0.850 20 0 BCADHN O=C1NCCO[C@@H]2CCCN(CC3CCC3)[C@@H]12 ZINC000879717958 590854679 /nfs/dbraw/zinc/85/46/79/590854679.db2.gz ITROMTJOMYOJPK-VXGBXAGGSA-N 0 3 238.331 0.766 20 0 BCADHN CCON(CC)C[C@H](O)CN(C)CCOC ZINC000879799438 590869347 /nfs/dbraw/zinc/86/93/47/590869347.db2.gz OEQVMEYGCJZGEI-LLVKDONJSA-N 0 3 234.340 0.199 20 0 BCADHN CCOCCN1CCC(c2nnnn2C)CC1 ZINC000879915290 590889363 /nfs/dbraw/zinc/88/93/63/590889363.db2.gz AWVCJUGMOOJZHW-UHFFFAOYSA-N 0 3 239.323 0.426 20 0 BCADHN CC(C)[C@@H](F)C(=O)N[C@H](CO)CN1CCCC1 ZINC000879995726 590904884 /nfs/dbraw/zinc/90/48/84/590904884.db2.gz WUJFBEHPYIWDFH-WDEREUQCSA-N 0 3 246.326 0.553 20 0 BCADHN O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CC1(F)F ZINC000879992647 590905440 /nfs/dbraw/zinc/90/54/40/590905440.db2.gz MOHOTJWWRBWADA-RKDXNWHRSA-N 0 3 248.273 0.215 20 0 BCADHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CC1(F)F ZINC000879992635 590905456 /nfs/dbraw/zinc/90/54/56/590905456.db2.gz MOHOTJWWRBWADA-BDAKNGLRSA-N 0 3 248.273 0.215 20 0 BCADHN CC(C)[C@H](F)C(=O)N[C@H](CO)CN1CCCC1 ZINC000879995723 590905513 /nfs/dbraw/zinc/90/55/13/590905513.db2.gz WUJFBEHPYIWDFH-QWRGUYRKSA-N 0 3 246.326 0.553 20 0 BCADHN C[C@@]1(C(F)(F)F)CCN(CCn2cnnn2)C1 ZINC000880005177 590907971 /nfs/dbraw/zinc/90/79/71/590907971.db2.gz SGFCDUHYTINTRT-MRVPVSSYSA-N 0 3 249.240 0.947 20 0 BCADHN CCNC(=O)CN1CC[C@@H]2[C@H]1CCCN2C ZINC000880129188 590931090 /nfs/dbraw/zinc/93/10/90/590931090.db2.gz DXCYNNAJMMEOHX-GHMZBOCLSA-N 0 3 225.336 0.291 20 0 BCADHN CCNC(=O)CN1CC[C@H]2[C@H]1CCCN2C ZINC000880129191 590932565 /nfs/dbraw/zinc/93/25/65/590932565.db2.gz DXCYNNAJMMEOHX-WDEREUQCSA-N 0 3 225.336 0.291 20 0 BCADHN CCCNC(=O)CN1CC[C@H]2[C@H]1CCCN2C ZINC000880132208 590933431 /nfs/dbraw/zinc/93/34/31/590933431.db2.gz XEGIFIRBWSSOSV-NWDGAFQWSA-N 0 3 239.363 0.681 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2CC[S@@](C)=O ZINC000880137201 590940358 /nfs/dbraw/zinc/94/03/58/590940358.db2.gz ZRRLVNSITXNAIJ-FIXISWKDSA-N 0 3 230.377 0.533 20 0 BCADHN CCn1ncc(CN2CC[C@H]3[C@@H]2CCCN3C)n1 ZINC000880143153 590944514 /nfs/dbraw/zinc/94/45/14/590944514.db2.gz YQAPUFOZWPYULL-STQMWFEESA-N 0 3 249.362 0.967 20 0 BCADHN CN1CCC[C@H](N2CC[C@H](C(C)(C)O)C2)C1=O ZINC000880147449 590944987 /nfs/dbraw/zinc/94/49/87/590944987.db2.gz DGCCXGDEPAQNCV-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN CCn1ncc(CN2CC[C@@H]3[C@H]2CCCN3C)n1 ZINC000880143150 590945001 /nfs/dbraw/zinc/94/50/01/590945001.db2.gz YQAPUFOZWPYULL-CHWSQXEVSA-N 0 3 249.362 0.967 20 0 BCADHN CC(C)(O)[C@H]1CCN(CC2OCCO2)C1 ZINC000880148053 590945778 /nfs/dbraw/zinc/94/57/78/590945778.db2.gz PSJBBPCSFDMSPL-VIFPVBQESA-N 0 3 215.293 0.452 20 0 BCADHN CO[C@H](C)CN1CCNC(=O)CC12CCC2 ZINC000880169051 590949477 /nfs/dbraw/zinc/94/94/77/590949477.db2.gz ZPDKRIVFAFVIQI-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN O=C1NCCC[C@H]1N1CCC[C@@H](CF)C1 ZINC000880236824 590968182 /nfs/dbraw/zinc/96/81/82/590968182.db2.gz JVQKCZHVZZSCGO-VHSXEESVSA-N 0 3 214.284 0.947 20 0 BCADHN COC(=O)CNC(=O)CCN1CCC(F)CC1 ZINC000880241371 590974030 /nfs/dbraw/zinc/97/40/30/590974030.db2.gz BFTZPFPNCJRBMZ-UHFFFAOYSA-N 0 3 246.282 0.100 20 0 BCADHN O=C1NCCC[C@H]1N1CC[C@@H](CF)C1 ZINC000880297280 590983047 /nfs/dbraw/zinc/98/30/47/590983047.db2.gz MCYUWXOBKLUMIO-DTWKUNHWSA-N 0 3 200.257 0.556 20 0 BCADHN NC(=O)[N-]C(=O)OCCC[N@@H+]1CC[C@@H](CF)C1 ZINC000880297481 590985552 /nfs/dbraw/zinc/98/55/52/590985552.db2.gz ONUHAZHAMXBTGI-QMMMGPOBSA-N 0 3 247.270 0.473 20 0 BCADHN NC(=O)[N-]C(=O)OCCC[N@H+]1CC[C@@H](CF)C1 ZINC000880297481 590985554 /nfs/dbraw/zinc/98/55/54/590985554.db2.gz ONUHAZHAMXBTGI-QMMMGPOBSA-N 0 3 247.270 0.473 20 0 BCADHN CN(C(=O)CN1CC[C@H](CF)C1)C1CC1 ZINC000880293520 590987519 /nfs/dbraw/zinc/98/75/19/590987519.db2.gz MELAZXSXCMDXPB-SECBINFHSA-N 0 3 214.284 0.899 20 0 BCADHN O=C1CC[C@@H](CN2CC[C@H](CF)C2)N1 ZINC000880300447 590996506 /nfs/dbraw/zinc/99/65/06/590996506.db2.gz SWGWPLTXVSGVNL-BDAKNGLRSA-N 0 3 200.257 0.556 20 0 BCADHN CC(C)(O)CCN(CC(N)=O)C1CCOCC1 ZINC000880392512 591019542 /nfs/dbraw/zinc/01/95/42/591019542.db2.gz FYVSFAAAFDBOMB-UHFFFAOYSA-N 0 3 244.335 0.114 20 0 BCADHN CO[C@H]1COCC[C@H]1N(C)CCC(C)=O ZINC000880426089 591033090 /nfs/dbraw/zinc/03/30/90/591033090.db2.gz RGGMCIDHVXFMMS-MNOVXSKESA-N 0 3 215.293 0.701 20 0 BCADHN C[C@@H]1CC[C@H](CO)N1CCc1cn(C)nn1 ZINC000880434375 591035909 /nfs/dbraw/zinc/03/59/09/591035909.db2.gz AYJUPLQZBKVIHN-MWLCHTKSSA-N 0 3 224.308 0.203 20 0 BCADHN CC(C)COC[C@@H](O)CN1CC=C[C@@H]1CO ZINC000880483579 591057123 /nfs/dbraw/zinc/05/71/23/591057123.db2.gz ICUHKSKDLUYLGD-NEPJUHHUSA-N 0 3 229.320 0.253 20 0 BCADHN O=C1OCC[C@@H]1CCN1CC=C[C@@H]1CO ZINC000880485778 591060022 /nfs/dbraw/zinc/06/00/22/591060022.db2.gz HJLHPUGTCZZJHC-VHSXEESVSA-N 0 3 211.261 0.172 20 0 BCADHN OC[C@H]1C=CCN1CCc1ccccn1 ZINC000880487474 591062539 /nfs/dbraw/zinc/06/25/39/591062539.db2.gz ZUXZKHQITSKMIV-GFCCVEGCSA-N 0 3 204.273 0.857 20 0 BCADHN Cc1nccn1CCN1CC=C[C@H]1CO ZINC000880488293 591064082 /nfs/dbraw/zinc/06/40/82/591064082.db2.gz BPQMXVCWAPLHIV-NSHDSACASA-N 0 3 207.277 0.424 20 0 BCADHN Cn1cc(CCN2CC=C[C@@H]2CO)cn1 ZINC000880486942 591064872 /nfs/dbraw/zinc/06/48/72/591064872.db2.gz RJLBTVWZAVGVBM-LLVKDONJSA-N 0 3 207.277 0.195 20 0 BCADHN Cc1nccn1CCCN1CC=C[C@H]1CO ZINC000880488716 591066565 /nfs/dbraw/zinc/06/65/65/591066565.db2.gz KVNYZTYYBQQQSQ-LBPRGKRZSA-N 0 3 221.304 0.814 20 0 BCADHN COC(=O)C1(CN2CC=C[C@@H]2CO)CC1 ZINC000880491464 591067996 /nfs/dbraw/zinc/06/79/96/591067996.db2.gz JVBCYZMOAUDYMK-SECBINFHSA-N 0 3 211.261 0.172 20 0 BCADHN COC(=O)C1(CN2CC=C[C@H]2CO)CC1 ZINC000880491465 591068750 /nfs/dbraw/zinc/06/87/50/591068750.db2.gz JVBCYZMOAUDYMK-VIFPVBQESA-N 0 3 211.261 0.172 20 0 BCADHN C[C@](O)(C[C@H](O)CN1CC=C[C@@H]1CO)C1CC1 ZINC000880494003 591072455 /nfs/dbraw/zinc/07/24/55/591072455.db2.gz IDCWTXBRDUGUQP-AGIUHOORSA-N 0 3 241.331 0.131 20 0 BCADHN CON(C)C(=O)CN[C@@H]1CCC[C@]12CCCO2 ZINC000880503286 591078122 /nfs/dbraw/zinc/07/81/22/591078122.db2.gz BWZNMTXPUNTSPJ-PWSUYJOCSA-N 0 3 242.319 0.698 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1C[C@@H](O)Cn1cccn1 ZINC000880521326 591083690 /nfs/dbraw/zinc/08/36/90/591083690.db2.gz GYLBFLLUYZZLRJ-GRYCIOLGSA-N 0 3 239.319 0.089 20 0 BCADHN CC(C)[C@H](O)CN1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880525437 591084475 /nfs/dbraw/zinc/08/44/75/591084475.db2.gz HBMLDOMUDSYCLV-IJLUTSLNSA-N 0 3 240.347 0.604 20 0 BCADHN CC[C@@H](O)CN1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880531848 591085851 /nfs/dbraw/zinc/08/58/51/591085851.db2.gz XTDHZUVYOAHKDG-MXWKQRLJSA-N 0 3 226.320 0.358 20 0 BCADHN c1n[nH]nc1CN1CCC2(CC1)COCCO2 ZINC000880546253 591087792 /nfs/dbraw/zinc/08/77/92/591087792.db2.gz KLVUZQNGXBCGKR-UHFFFAOYSA-N 0 3 238.291 0.186 20 0 BCADHN COC(=O)[C@]1(O)CCN(C[C@@H]2CCCCO2)C1 ZINC000880557708 591089721 /nfs/dbraw/zinc/08/97/21/591089721.db2.gz BTGIDKGRKREPQU-JQWIXIFHSA-N 0 3 243.303 0.165 20 0 BCADHN COc1cncc(NC(=O)NCCN(C)C)c1 ZINC000880555354 591090619 /nfs/dbraw/zinc/09/06/19/591090619.db2.gz HATXDWNFFKREIC-UHFFFAOYSA-N 0 3 238.291 0.773 20 0 BCADHN COC(=O)[C@@]1(O)CCN(C[C@H]2CCCCO2)C1 ZINC000880557710 591090600 /nfs/dbraw/zinc/09/06/00/591090600.db2.gz BTGIDKGRKREPQU-ZYHUDNBSSA-N 0 3 243.303 0.165 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)NCCN(C)OC ZINC000880642992 591114573 /nfs/dbraw/zinc/11/45/73/591114573.db2.gz XYFASODEVXMVSX-LLVKDONJSA-N 0 3 243.351 0.470 20 0 BCADHN O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C12CCN(CC1)C2 ZINC000888836857 591141213 /nfs/dbraw/zinc/14/12/13/591141213.db2.gz MARCADJGRJBWJS-LVEVGFFFSA-N 0 3 248.326 0.374 20 0 BCADHN C[C@H](N)c1cn(Cc2ccc3nonc3c2)nn1 ZINC000881207828 591171721 /nfs/dbraw/zinc/17/17/21/591171721.db2.gz DPKXUWMVPQMFAL-ZETCQYMHSA-N 0 3 244.258 0.882 20 0 BCADHN COc1ccc(Cn2cc([C@H](C)N)nn2)cn1 ZINC000881302256 591184256 /nfs/dbraw/zinc/18/42/56/591184256.db2.gz PRTAWBFWJLSBJN-QMMMGPOBSA-N 0 3 233.275 0.750 20 0 BCADHN CC(C)NC(=O)NCCn1cc([C@@H](C)N)nn1 ZINC000881328678 591193449 /nfs/dbraw/zinc/19/34/49/591193449.db2.gz JMSKBOJQOOPPLX-MRVPVSSYSA-N 0 3 240.311 0.005 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)n1cc([C@H](C)N)nn1 ZINC000881346026 591194507 /nfs/dbraw/zinc/19/45/07/591194507.db2.gz KWVHLXORFVJAPO-IUCAKERBSA-N 0 3 239.323 0.726 20 0 BCADHN c1nonc1Cn1cc(CNC2CCCC2)nn1 ZINC000881359954 591195901 /nfs/dbraw/zinc/19/59/01/591195901.db2.gz ZWHUQTRPURKXMO-UHFFFAOYSA-N 0 3 248.290 0.742 20 0 BCADHN C[C@H](N)c1cn(Cc2ccc(N(C)C)nc2)nn1 ZINC000881381266 591198199 /nfs/dbraw/zinc/19/81/99/591198199.db2.gz USWKXOPENOWMTQ-VIFPVBQESA-N 0 3 246.318 0.807 20 0 BCADHN C[C@H](N)c1cn(C[C@H]2COC(C)(C)O2)nn1 ZINC000881391459 591199842 /nfs/dbraw/zinc/19/98/42/591199842.db2.gz CZAROBPMSRFZDL-YUMQZZPRSA-N 0 3 226.280 0.449 20 0 BCADHN COC[C@H](N)Cc1cn(C/C=C/Cl)nn1 ZINC000881427300 591203788 /nfs/dbraw/zinc/20/37/88/591203788.db2.gz HWMOGFZUBLDKBT-UFUPEUMYSA-N 0 3 230.699 0.547 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)COC1CC1 ZINC000881465989 591208161 /nfs/dbraw/zinc/20/81/61/591208161.db2.gz MFEKSJKZCLFEQX-VXGBXAGGSA-N 0 3 238.331 0.861 20 0 BCADHN CCN(CC)CCNS(=O)(=O)C1CCC1 ZINC000881732245 591267858 /nfs/dbraw/zinc/26/78/58/591267858.db2.gz JTBSBSXEOSGNOV-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)C1CCC1 ZINC000882102228 591298749 /nfs/dbraw/zinc/29/87/49/591298749.db2.gz LBCZMGWBBRXEBK-GHMZBOCLSA-N 0 3 246.376 0.941 20 0 BCADHN CN(C)CCOCCNc1ncc(C=O)cn1 ZINC000882163781 591309824 /nfs/dbraw/zinc/30/98/24/591309824.db2.gz DFHATZFUKZXISL-UHFFFAOYSA-N 0 3 238.291 0.279 20 0 BCADHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)C1CCC1 ZINC000882222251 591317045 /nfs/dbraw/zinc/31/70/45/591317045.db2.gz ZXWGVJYVEUQAPH-ONGXEEELSA-N 0 3 246.376 0.893 20 0 BCADHN CCN1CC[C@H]1CNC(=O)[C@H]1CCCN1C ZINC000882486283 591358214 /nfs/dbraw/zinc/35/82/14/591358214.db2.gz PCROKQZMKMVLCI-WDEREUQCSA-N 0 3 225.336 0.291 20 0 BCADHN CCN1CC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC000882486407 591360400 /nfs/dbraw/zinc/36/04/00/591360400.db2.gz KKIHJZDRFKPVRM-NWDGAFQWSA-N 0 3 239.363 0.681 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC000882486404 591362471 /nfs/dbraw/zinc/36/24/71/591362471.db2.gz KKIHJZDRFKPVRM-NEPJUHHUSA-N 0 3 239.363 0.681 20 0 BCADHN Cc1ncnc(N2CCN3C[C@H](O)C[C@H]3C2)c1C ZINC000882546146 591389996 /nfs/dbraw/zinc/38/99/96/591389996.db2.gz XULARNXDCOFPNV-NWDGAFQWSA-N 0 3 248.330 0.349 20 0 BCADHN C[C@@H]1CN(c2ncc(C=O)cn2)C[C@H](C)N1 ZINC000882627213 591402751 /nfs/dbraw/zinc/40/27/51/591402751.db2.gz IVWMAIJYCZPJKA-DTORHVGOSA-N 0 3 220.276 0.476 20 0 BCADHN NCc1cc(C(=O)NCCN2CCCC2)ccn1 ZINC000129980350 591426169 /nfs/dbraw/zinc/42/61/69/591426169.db2.gz FGASLHYRRPRMIW-UHFFFAOYSA-N 0 3 248.330 0.366 20 0 BCADHN CC[S@@](=O)CCNCc1cc[nH]c1 ZINC000129983080 591427519 /nfs/dbraw/zinc/42/75/19/591427519.db2.gz GSAIGJRVSUQXDC-ZDUSSCGKSA-N 0 3 200.307 0.873 20 0 BCADHN Nc1nc(N)nc(N2CCC[C@H](CF)C2)n1 ZINC000882803760 591444418 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CC(C)C[C@H](O)CN[C@H]1CCCS(=O)(=O)C1 ZINC000132135395 591689574 /nfs/dbraw/zinc/68/95/74/591689574.db2.gz BNVVYJKIZZVLEO-QWRGUYRKSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@@H](CNC(=O)N1CC[C@@H](CF)C1)N(C)C ZINC000883679935 591717118 /nfs/dbraw/zinc/71/71/18/591717118.db2.gz XWTGRLLUERBJGQ-UWVGGRQHSA-N 0 3 231.315 0.938 20 0 BCADHN CN(C)CCNC(=O)NC[C@H]1C=CCC1 ZINC000883837271 591750660 /nfs/dbraw/zinc/75/06/60/591750660.db2.gz CLRRYHYRAUAVER-JTQLQIEISA-N 0 3 211.309 0.813 20 0 BCADHN COc1nn(C)cc1C(=O)N(C)CCN(C)C ZINC000883963515 591783123 /nfs/dbraw/zinc/78/31/23/591783123.db2.gz TVXCDXPSECSJRS-UHFFFAOYSA-N 0 3 240.307 0.062 20 0 BCADHN CCn1cc(CN2CCCN(CC)CC2)nn1 ZINC000883999622 591790394 /nfs/dbraw/zinc/79/03/94/591790394.db2.gz MNQJIAPKRGFQIP-UHFFFAOYSA-N 0 3 237.351 0.826 20 0 BCADHN CCn1cc(CN(C)CCN2CCCC2)nn1 ZINC000884001423 591791259 /nfs/dbraw/zinc/79/12/59/591791259.db2.gz NXYBJDQVTCQPIV-UHFFFAOYSA-N 0 3 237.351 0.826 20 0 BCADHN CCN1CCC[C@H]1CNC(=S)NN(C)C ZINC000884004290 591793601 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20 0 BCADHN C[C@H]1C(=O)CCCN1C(=O)[C@H]1CCN(C)C1 ZINC000885042977 592037894 /nfs/dbraw/zinc/03/78/94/592037894.db2.gz CXGOCBLOLSGHPQ-UWVGGRQHSA-N 0 3 224.304 0.518 20 0 BCADHN C[C@@H]1C(=O)CCCN1C(=O)[C@H]1CCN(C)C1 ZINC000885042979 592037993 /nfs/dbraw/zinc/03/79/93/592037993.db2.gz CXGOCBLOLSGHPQ-ZJUUUORDSA-N 0 3 224.304 0.518 20 0 BCADHN C[C@H]1CCC(=O)CN1C(=O)C12CCN(CC1)C2 ZINC000885071400 592045425 /nfs/dbraw/zinc/04/54/25/592045425.db2.gz CESXQFGUMFEWFR-JTQLQIEISA-N 0 3 236.315 0.662 20 0 BCADHN C[C@@H]1CCC(=O)CN1C(=O)[C@@H]1CCN(C)C1 ZINC000885079770 592048143 /nfs/dbraw/zinc/04/81/43/592048143.db2.gz CVFSYUDLBKHPDR-NXEZZACHSA-N 0 3 224.304 0.518 20 0 BCADHN CCOC(=O)CCN1CCN(C)[C@@H](C)C1 ZINC000216573038 592055489 /nfs/dbraw/zinc/05/54/89/592055489.db2.gz OOJOYBVFIJHQJC-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN COCCOC(=O)NC(C)(C)CN(C)C ZINC000885228627 592059846 /nfs/dbraw/zinc/05/98/46/592059846.db2.gz XUFSFDFARFSSFO-UHFFFAOYSA-N 0 3 218.297 0.699 20 0 BCADHN CN(C)CCNc1cnn(C)c(=O)c1Cl ZINC000135904952 592078123 /nfs/dbraw/zinc/07/81/23/592078123.db2.gz JKMDPAUKYKVJBF-UHFFFAOYSA-N 0 3 230.699 0.407 20 0 BCADHN CCOCCCNC(=S)NC[C@H](C)N(C)C ZINC000135953806 592082565 /nfs/dbraw/zinc/08/25/65/592082565.db2.gz HYZYRGWFRFAKGY-JTQLQIEISA-N 0 3 247.408 0.827 20 0 BCADHN Cc1n[nH]c(CNC[C@@H]2COCCO2)c1C ZINC000885926540 592108726 /nfs/dbraw/zinc/10/87/26/592108726.db2.gz FKHOMQGXKNRNIZ-SNVBAGLBSA-N 0 3 225.292 0.532 20 0 BCADHN Cc1[nH]nc(CNC[C@@H]2COCCO2)c1C ZINC000885926540 592108728 /nfs/dbraw/zinc/10/87/28/592108728.db2.gz FKHOMQGXKNRNIZ-SNVBAGLBSA-N 0 3 225.292 0.532 20 0 BCADHN CCNC(=O)CN(C)C[C@H]1C[C@]12CCOC2 ZINC000885960628 592111741 /nfs/dbraw/zinc/11/17/41/592111741.db2.gz NTLCLWFBFJQGLR-PWSUYJOCSA-N 0 3 226.320 0.481 20 0 BCADHN C[C@](O)(CN1CCC(O)CC1)C(F)F ZINC000885946118 592112757 /nfs/dbraw/zinc/11/27/57/592112757.db2.gz FDFYISBDHCFTJY-VIFPVBQESA-N 0 3 209.236 0.459 20 0 BCADHN CN(CC(=O)N(C)C)C[C@@H]1C[C@]12CCOC2 ZINC000885946322 592113148 /nfs/dbraw/zinc/11/31/48/592113148.db2.gz HRGPMWFEDGFHSW-JQWIXIFHSA-N 0 3 226.320 0.433 20 0 BCADHN CNC(=O)CN(C)C[C@@H]1C[C@]12CCOC2 ZINC000885951881 592113786 /nfs/dbraw/zinc/11/37/86/592113786.db2.gz QRTJZAPJMOEJFT-ONGXEEELSA-N 0 3 212.293 0.091 20 0 BCADHN COC(=O)[C@H](C)CN(C)C[C@@](C)(O)C(F)F ZINC000885957922 592114598 /nfs/dbraw/zinc/11/45/98/592114598.db2.gz AMWJZDFTGWPOFH-GMSGAONNSA-N 0 3 239.262 0.743 20 0 BCADHN CCN(CC(=O)N(C)C)C[C@H]1C[C@]12CCOC2 ZINC000885953774 592115082 /nfs/dbraw/zinc/11/50/82/592115082.db2.gz FSIQZRAVPMPQMA-YPMHNXCESA-N 0 3 240.347 0.823 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@](C)(O)C(F)F)C1 ZINC000885958828 592115391 /nfs/dbraw/zinc/11/53/91/592115391.db2.gz MGJBBFWGLLWBPZ-XCBNKYQSSA-N 0 3 237.246 0.497 20 0 BCADHN CCCN(CC(=O)NC)C[C@H]1C[C@]12CCOC2 ZINC000885962669 592115495 /nfs/dbraw/zinc/11/54/95/592115495.db2.gz DNXXTSHMTVYZPZ-YPMHNXCESA-N 0 3 240.347 0.871 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@@](C)(O)C(F)F)C1 ZINC000885958826 592115734 /nfs/dbraw/zinc/11/57/34/592115734.db2.gz MGJBBFWGLLWBPZ-GMSGAONNSA-N 0 3 237.246 0.497 20 0 BCADHN CCN(CC(=O)NC)C[C@H]1C[C@]12CCOC2 ZINC000885962951 592116324 /nfs/dbraw/zinc/11/63/24/592116324.db2.gz IUXSUVQVUMCIMO-PWSUYJOCSA-N 0 3 226.320 0.481 20 0 BCADHN Cc1n[nH]c(CNCCC(=O)N(C)C)c1C ZINC000885959236 592116334 /nfs/dbraw/zinc/11/63/34/592116334.db2.gz VXNYSRSCSKUZMU-UHFFFAOYSA-N 0 3 224.308 0.594 20 0 BCADHN Cc1[nH]nc(CNCCC(=O)N(C)C)c1C ZINC000885959236 592116335 /nfs/dbraw/zinc/11/63/35/592116335.db2.gz VXNYSRSCSKUZMU-UHFFFAOYSA-N 0 3 224.308 0.594 20 0 BCADHN C[C@@](O)(CN1CCCOCC1)C(F)F ZINC000885972852 592118958 /nfs/dbraw/zinc/11/89/58/592118958.db2.gz LXZVFEWMYZAPBU-SECBINFHSA-N 0 3 209.236 0.725 20 0 BCADHN Cc1[nH]nc(CN[C@H]2CC(=O)N(C3CC3)C2)c1C ZINC000886008673 592129746 /nfs/dbraw/zinc/12/97/46/592129746.db2.gz SCWBHJTXMOXKAT-JTQLQIEISA-N 0 3 248.330 0.879 20 0 BCADHN Cc1[nH]nc(CN[C@H]2CCCN(C)C2=O)c1C ZINC000886008618 592130515 /nfs/dbraw/zinc/13/05/15/592130515.db2.gz RBPJASILTQTQNH-JTQLQIEISA-N 0 3 236.319 0.737 20 0 BCADHN C[C@](O)(CN1CC[C@@H](CO)C1)C(F)F ZINC000886019269 592132759 /nfs/dbraw/zinc/13/27/59/592132759.db2.gz PPHSCDFUDSNCJK-APPZFPTMSA-N 0 3 209.236 0.317 20 0 BCADHN C[C@H](O)CCN(C)C[C@@](C)(O)C(F)F ZINC000886021639 592133693 /nfs/dbraw/zinc/13/36/93/592133693.db2.gz ZQHLGYGDHWJYGT-IONNQARKSA-N 0 3 211.252 0.705 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)C[C@@](C)(O)C(F)F ZINC000886030301 592136630 /nfs/dbraw/zinc/13/66/30/592136630.db2.gz IXABRXPVFPHRPO-OIBJUYFYSA-N 0 3 238.278 0.316 20 0 BCADHN O[C@@H]1C[C@H](O)CN(CCOC2CCCCC2)C1 ZINC000886030410 592136944 /nfs/dbraw/zinc/13/69/44/592136944.db2.gz JNNIWPKYGIQTRE-TXEJJXNPSA-N 0 3 243.347 0.763 20 0 BCADHN CN(C[C@@H](O)C1CC1)C[C@@](C)(O)C(F)F ZINC000886035793 592137893 /nfs/dbraw/zinc/13/78/93/592137893.db2.gz RDJSBLXVJHEKSY-PSASIEDQSA-N 0 3 223.263 0.705 20 0 BCADHN Cc1[nH]nc(CNC[C@@H](C)S(C)(=O)=O)c1C ZINC000886046630 592140503 /nfs/dbraw/zinc/14/05/03/592140503.db2.gz KVYQLKVVTZTMCX-SSDOTTSWSA-N 0 3 245.348 0.549 20 0 BCADHN CNC(=O)CCCN(C)C[C@](C)(O)C(F)F ZINC000886082940 592144704 /nfs/dbraw/zinc/14/47/04/592144704.db2.gz CKGVHGXZMKDVGX-JTQLQIEISA-N 0 3 238.278 0.461 20 0 BCADHN CN(C[C@@H]1C[C@@]12CCOC2)[C@H]1CCNC1=O ZINC000886089661 592145467 /nfs/dbraw/zinc/14/54/67/592145467.db2.gz GQKQDFQLIBNHKC-JBLDHEPKSA-N 0 3 224.304 0.233 20 0 BCADHN C[C@@H]1CN(C[C@@](C)(O)C(F)F)CCN1C ZINC000886092182 592146294 /nfs/dbraw/zinc/14/62/94/592146294.db2.gz QQZIWDCGESSQFY-PSASIEDQSA-N 0 3 222.279 0.638 20 0 BCADHN COC(CN1CCC(C(=O)N(C)C)CC1)OC ZINC000136719329 592149474 /nfs/dbraw/zinc/14/94/74/592149474.db2.gz TWXLWICQCJSBEP-UHFFFAOYSA-N 0 3 244.335 0.406 20 0 BCADHN OC[C@@H](O)CNC/C=C/c1cccc(F)c1 ZINC000886100607 592154712 /nfs/dbraw/zinc/15/47/12/592154712.db2.gz SKLURACBTYTRGQ-KMOQFTEPSA-N 0 3 225.263 0.782 20 0 BCADHN CCN1C[C@H](NCc2n[nH]c(C)c2C)CC1=O ZINC000886134679 592160364 /nfs/dbraw/zinc/16/03/64/592160364.db2.gz YNCKSRAGYDZVOV-SNVBAGLBSA-N 0 3 236.319 0.737 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCc1n[nH]c(C)c1C ZINC000886136521 592160455 /nfs/dbraw/zinc/16/04/55/592160455.db2.gz PRTARUNWFGWXKF-VXGBXAGGSA-N 0 3 239.319 0.920 20 0 BCADHN Cc1n[nH]c(CNC[C@@]2(C)CCC(=O)N2)c1C ZINC000886138393 592161852 /nfs/dbraw/zinc/16/18/52/592161852.db2.gz JLNDBLUMFLPBJL-GFCCVEGCSA-N 0 3 236.319 0.785 20 0 BCADHN Cc1[nH]nc(CNC[C@@]2(C)CCC(=O)N2)c1C ZINC000886138393 592161855 /nfs/dbraw/zinc/16/18/55/592161855.db2.gz JLNDBLUMFLPBJL-GFCCVEGCSA-N 0 3 236.319 0.785 20 0 BCADHN Cc1n[nH]c(CNCC[C@]2(O)CCOC2)c1C ZINC000886153743 592164933 /nfs/dbraw/zinc/16/49/33/592164933.db2.gz PLMZIYWQRXACNQ-LBPRGKRZSA-N 0 3 239.319 0.658 20 0 BCADHN C([C@@H]1C[C@]12CCOC2)N1CCc2n[nH]nc2C1 ZINC000886164999 592168167 /nfs/dbraw/zinc/16/81/67/592168167.db2.gz ZFWSGNFJJOEURW-CABZTGNLSA-N 0 3 234.303 0.589 20 0 BCADHN Cc1n[nH]c(CNC[C@H]2C[C@@H](O)C2)c1C ZINC000886171967 592169740 /nfs/dbraw/zinc/16/97/40/592169740.db2.gz STZDFSKUMWOTQU-AOOOYVTPSA-N 0 3 209.293 0.887 20 0 BCADHN CCN(C[C@@H]1C[C@@]12CCOC2)[C@H]1CCNC1=O ZINC000886187902 592172761 /nfs/dbraw/zinc/17/27/61/592172761.db2.gz FEFXEYUBCCKMBV-GMXVVIOVSA-N 0 3 238.331 0.623 20 0 BCADHN C([C@H]1C[C@]12CCOC2)N1C[C@@H]2COC[C@H](C1)O2 ZINC000886192315 592173603 /nfs/dbraw/zinc/17/36/03/592173603.db2.gz QZSWZUCOGBUXQP-NDBYEHHHSA-N 0 3 239.315 0.513 20 0 BCADHN CCCN(CC(N)=O)C[C@@H]1C[C@@]12CCOC2 ZINC000886215846 592177958 /nfs/dbraw/zinc/17/79/58/592177958.db2.gz SBWULJFTQQQZOS-CMPLNLGQSA-N 0 3 226.320 0.610 20 0 BCADHN Cc1cccc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000886240765 592182964 /nfs/dbraw/zinc/18/29/64/592182964.db2.gz CPVQCVHNZVDWJI-XYYAHUGASA-N 0 3 221.300 0.969 20 0 BCADHN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000886243149 592183746 /nfs/dbraw/zinc/18/37/46/592183746.db2.gz PKBVANWKRGPCFA-VTYGSRLXSA-N 0 3 238.287 0.069 20 0 BCADHN Cc1ccc(O)c(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000886243149 592183750 /nfs/dbraw/zinc/18/37/50/592183750.db2.gz PKBVANWKRGPCFA-VTYGSRLXSA-N 0 3 238.287 0.069 20 0 BCADHN Cc1ccc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)nc1 ZINC000886245030 592184292 /nfs/dbraw/zinc/18/42/92/592184292.db2.gz IIWWEKFHAPQZFV-CNDDSTCGSA-N 0 3 222.288 0.364 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886245425 592184357 /nfs/dbraw/zinc/18/43/57/592184357.db2.gz VMYQSHHIMLTYRP-ZDEQEGDKSA-N 0 3 241.331 0.947 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@H]1CC[C@H](C2CC2)O1 ZINC000886245424 592184789 /nfs/dbraw/zinc/18/47/89/592184789.db2.gz VMYQSHHIMLTYRP-YVECIDJPSA-N 0 3 241.331 0.947 20 0 BCADHN C[C@H](O)[C@@H]1CN(C[C@@H]2C[C@]23CCOC3)CCO1 ZINC000886250028 592186269 /nfs/dbraw/zinc/18/62/69/592186269.db2.gz ZFUVGJVGGKZCMW-CYDGBPFRSA-N 0 3 241.331 0.495 20 0 BCADHN Cc1cc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)sn1 ZINC000886249814 592186653 /nfs/dbraw/zinc/18/66/53/592186653.db2.gz TWLDXSQSICKUNB-SLGCYQGISA-N 0 3 228.317 0.425 20 0 BCADHN COc1ccc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)cn1 ZINC000886253993 592187380 /nfs/dbraw/zinc/18/73/80/592187380.db2.gz RPKBTYJPHRLZKE-JGPRNRPPSA-N 0 3 238.287 0.064 20 0 BCADHN CC(C)n1nccc1CN[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886254007 592187649 /nfs/dbraw/zinc/18/76/49/592187649.db2.gz SCIHUULSXGSLTL-YHPBZONMSA-N 0 3 239.319 0.438 20 0 BCADHN O[C@@H]1C[C@H](NCc2ccc(F)cc2)C[C@@H]1O ZINC000886257933 592189004 /nfs/dbraw/zinc/18/90/04/592189004.db2.gz PMUANCXFEVONPK-ZSBIGDGJSA-N 0 3 225.263 0.800 20 0 BCADHN Cc1cc(CN[C@@H]2CC[C@@H](O)[C@@H](O)CC2)on1 ZINC000886262245 592189916 /nfs/dbraw/zinc/18/99/16/592189916.db2.gz NEGSZTPMPYTQHS-WLLOZRIZSA-N 0 3 240.303 0.737 20 0 BCADHN O=[S@]1C[C@@H]2C[C@H]1CN2C[C@H]1C[C@@]12CCOC2 ZINC000886268797 592190886 /nfs/dbraw/zinc/19/08/86/592190886.db2.gz BJPVPFJUDPDHHM-WZIZPHDVSA-N 0 3 241.356 0.618 20 0 BCADHN NC(=O)[C@@]1(NCC[C@@H]2C[C@H]2C2CC2)CCOC1 ZINC000886270877 592192281 /nfs/dbraw/zinc/19/22/81/592192281.db2.gz POXOWGDEYHNZLE-NTZNESFSSA-N 0 3 238.331 0.657 20 0 BCADHN C[NH+](C)C1(C(=O)NCc2cncc([O-])c2)CCC1 ZINC000886276708 592196433 /nfs/dbraw/zinc/19/64/33/592196433.db2.gz QISSAFXJCQDZKR-UHFFFAOYSA-N 0 3 249.314 0.888 20 0 BCADHN C[C@](O)(CN[C@@H]1C[C@H](O)C12CCC2)C(F)F ZINC000886281138 592197911 /nfs/dbraw/zinc/19/79/11/592197911.db2.gz SXTKSULDNBGTDQ-WEDXCCLWSA-N 0 3 235.274 0.896 20 0 BCADHN C[C@](O)(CN[C@@H]1C[C@@H](O)C12CCC2)C(F)F ZINC000886281136 592198534 /nfs/dbraw/zinc/19/85/34/592198534.db2.gz SXTKSULDNBGTDQ-MRTMQBJTSA-N 0 3 235.274 0.896 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CC[C@@H]1C(=O)OC)N(C)C ZINC000886303497 592203999 /nfs/dbraw/zinc/20/39/99/592203999.db2.gz YHCSSXZTZMWBDT-IVZWLZJFSA-N 0 3 242.319 0.394 20 0 BCADHN CO[C@H]1CN(Cc2[nH]ncc2C)[C@@](C)(CO)C1 ZINC000886307314 592204563 /nfs/dbraw/zinc/20/45/63/592204563.db2.gz OZLXCPKNUFQXHZ-ZYHUDNBSSA-N 0 3 239.319 0.690 20 0 BCADHN O[C@@H]1CCN(C[C@H]2CC[C@H](C3CC3)O2)C[C@@H]1O ZINC000886310910 592205152 /nfs/dbraw/zinc/20/51/52/592205152.db2.gz YHWKEJGGYQBPMN-FVCCEPFGSA-N 0 3 241.331 0.372 20 0 BCADHN Cc1cc(NCC2(CO)CCC2)nc(N)n1 ZINC000137796986 592220648 /nfs/dbraw/zinc/22/06/48/592220648.db2.gz ZGCMRTBTEOBOFH-UHFFFAOYSA-N 0 3 222.292 0.942 20 0 BCADHN COC(=O)c1cncc([C@H](C)NC[C@@H](C)O)c1 ZINC000886487675 592235007 /nfs/dbraw/zinc/23/50/07/592235007.db2.gz NWVRGCDKBAEGBR-BDAKNGLRSA-N 0 3 238.287 0.900 20 0 BCADHN CCNC(=O)CN[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886491414 592236828 /nfs/dbraw/zinc/23/68/28/592236828.db2.gz BXUMBESNIHULKQ-RKDXNWHRSA-N 0 3 228.292 0.054 20 0 BCADHN CC(C)[C@H](N[C@@H](C)CC(N)=O)c1cnn(C)c1 ZINC000886543743 592255877 /nfs/dbraw/zinc/25/58/77/592255877.db2.gz UVCYYKJCHLVIAA-CABZTGNLSA-N 0 3 238.335 0.971 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1C[C@@H]2CSC[C@@H]2C1 ZINC000886553598 592259022 /nfs/dbraw/zinc/25/90/22/592259022.db2.gz QYEWLXVEBYJZID-LPEHRKFASA-N 0 3 228.361 0.758 20 0 BCADHN COCC(COC)N[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886620193 592278308 /nfs/dbraw/zinc/27/83/08/592278308.db2.gz DSACHEOZWAWXKY-NXEZZACHSA-N 0 3 245.319 0.579 20 0 BCADHN C[C@@H](NCCN1CCNC1=O)c1cncs1 ZINC000886742493 592314534 /nfs/dbraw/zinc/31/45/34/592314534.db2.gz BBQMFEIMOURXSZ-MRVPVSSYSA-N 0 3 240.332 0.819 20 0 BCADHN C[C@H](NCCN1CCNC1=O)c1cncs1 ZINC000886742494 592314971 /nfs/dbraw/zinc/31/49/71/592314971.db2.gz BBQMFEIMOURXSZ-QMMMGPOBSA-N 0 3 240.332 0.819 20 0 BCADHN OCCOCC1(O)CCN(CCCF)CC1 ZINC000886742824 592315039 /nfs/dbraw/zinc/31/50/39/592315039.db2.gz LGCQGMZIHBNYEU-UHFFFAOYSA-N 0 3 235.299 0.182 20 0 BCADHN CN1CCC(N[C@@H](CCO)C(F)(F)F)CC1 ZINC000886796994 592328209 /nfs/dbraw/zinc/32/82/09/592328209.db2.gz MQOBPRFNUYFQMX-VIFPVBQESA-N 0 3 240.269 0.984 20 0 BCADHN COC(=O)N[C@H]1CCN(CC[C@@H]2CCOC2)C1 ZINC000886852885 592368447 /nfs/dbraw/zinc/36/84/47/592368447.db2.gz ZPRMZLUURRCLCJ-MNOVXSKESA-N 0 3 242.319 0.843 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@H](O)C2CC2)C1 ZINC000886850868 592368687 /nfs/dbraw/zinc/36/86/87/592368687.db2.gz VWWBEHMDQWKVJR-UWVGGRQHSA-N 0 3 228.292 0.188 20 0 BCADHN CCCN(C)CC(=O)N1CCOC[C@@H]1COC ZINC000886873329 592376498 /nfs/dbraw/zinc/37/64/98/592376498.db2.gz MRRWVXHXDAFHJD-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN CN1CCC(CC(=O)N[C@H]2C[C@H](CO)C2)CC1 ZINC000886890209 592388443 /nfs/dbraw/zinc/38/84/43/592388443.db2.gz ZZYRZILNQKYZBV-HAQNSBGRSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](CO)C1 ZINC000886893633 592389407 /nfs/dbraw/zinc/38/94/07/592389407.db2.gz DRRLGHWKTOBPBC-CDECOKDKSA-N 0 3 240.347 0.746 20 0 BCADHN COC[C@@H](NCc1cn[nH]n1)[C@@H]1CCCOC1 ZINC000886915652 592394540 /nfs/dbraw/zinc/39/45/40/592394540.db2.gz HNTSFVKSLPCGLZ-MWLCHTKSSA-N 0 3 240.307 0.336 20 0 BCADHN COC[C@@H](NCc1c[nH]nn1)[C@@H]1CCCOC1 ZINC000886915652 592394545 /nfs/dbraw/zinc/39/45/45/592394545.db2.gz HNTSFVKSLPCGLZ-MWLCHTKSSA-N 0 3 240.307 0.336 20 0 BCADHN COC[C@@H](NCC(C)=O)[C@H]1CCCOC1 ZINC000886915529 592394555 /nfs/dbraw/zinc/39/45/55/592394555.db2.gz FRNTXOQSFAJGGV-WDEREUQCSA-N 0 3 215.293 0.607 20 0 BCADHN COC[C@@H](NCC1OCCO1)[C@@H]1CCCOC1 ZINC000886913728 592394682 /nfs/dbraw/zinc/39/46/82/592394682.db2.gz IYSHNXRKROJYRT-GHMZBOCLSA-N 0 3 245.319 0.391 20 0 BCADHN COC[C@@H](NCc1cn[nH]n1)[C@H]1CCCOC1 ZINC000886915650 592395137 /nfs/dbraw/zinc/39/51/37/592395137.db2.gz HNTSFVKSLPCGLZ-GXSJLCMTSA-N 0 3 240.307 0.336 20 0 BCADHN COC[C@@H](NCc1c[nH]nn1)[C@H]1CCCOC1 ZINC000886915650 592395143 /nfs/dbraw/zinc/39/51/43/592395143.db2.gz HNTSFVKSLPCGLZ-GXSJLCMTSA-N 0 3 240.307 0.336 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1CC[C@H]1CCOC1=O ZINC000887031568 592424238 /nfs/dbraw/zinc/42/42/38/592424238.db2.gz ZTVZJQDXEKMCAA-OUAUKWLOSA-N 0 3 227.304 0.785 20 0 BCADHN CC[C@H](C)[C@H](NCCc1ccnn1C)C(N)=O ZINC000887055823 592432554 /nfs/dbraw/zinc/43/25/54/592432554.db2.gz NEJHLFNCLZZPRW-ONGXEEELSA-N 0 3 238.335 0.452 20 0 BCADHN CCSCCNC1(C(=O)NC)CCOCC1 ZINC000887086617 592437675 /nfs/dbraw/zinc/43/76/75/592437675.db2.gz XHWGNQWKAGSZDA-UHFFFAOYSA-N 0 3 246.376 0.624 20 0 BCADHN CN(CCCF)C[C@H](O)CC1(O)CCOCC1 ZINC000887142771 592457456 /nfs/dbraw/zinc/45/74/56/592457456.db2.gz ZKHRCKYKXUTWRR-LLVKDONJSA-N 0 3 249.326 0.570 20 0 BCADHN Nc1nc(N)nc(NCCCCCCO)n1 ZINC000140430421 592469968 /nfs/dbraw/zinc/46/99/68/592469968.db2.gz ZYEPUQANSQPRIQ-UHFFFAOYSA-N 0 3 226.284 0.001 20 0 BCADHN CO[C@@H]1CCN(c2cc(C)nc(N)n2)C1 ZINC000300046623 592501204 /nfs/dbraw/zinc/50/12/04/592501204.db2.gz XXVOQNDVNMXNSC-MRVPVSSYSA-N 0 3 208.265 0.592 20 0 BCADHN CC(C)C[C@H](O)CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000300273742 592505875 /nfs/dbraw/zinc/50/58/75/592505875.db2.gz BMECJVJQKZILEM-GRYCIOLGSA-N 0 3 242.363 0.898 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1CCO[C@H](C)C1 ZINC000223067266 592515614 /nfs/dbraw/zinc/51/56/14/592515614.db2.gz ZJRGBDHWRAQTRY-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@H](CN1CCCCC1)NCc1cnn(C)n1 ZINC000302682084 592551207 /nfs/dbraw/zinc/55/12/07/592551207.db2.gz QHISYCNWLRRKLE-LLVKDONJSA-N 0 3 237.351 0.779 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N[C@]12C[C@H]1COC2 ZINC000887927054 592559812 /nfs/dbraw/zinc/55/98/12/592559812.db2.gz IILRSBWYLDUKHL-NHCYSSNCSA-N 0 3 239.319 0.169 20 0 BCADHN CN1C[C@@H]2CN(C(=O)c3ccncn3)C[C@]2(C)C1 ZINC000887927981 592559866 /nfs/dbraw/zinc/55/98/66/592559866.db2.gz QOMUZQQAXOOFPI-MFKMUULPSA-N 0 3 246.314 0.500 20 0 BCADHN C[C@@H](CNC(=O)N1C[C@@H]2C[C@@H]2C1)N(C)C ZINC000889180599 592587190 /nfs/dbraw/zinc/58/71/90/592587190.db2.gz FZSZCOIYFSGHKT-LPEHRKFASA-N 0 3 211.309 0.598 20 0 BCADHN C/C=C\[C@H](O)C(=O)N1CCC12CCN(C)CC2 ZINC000889219836 592589524 /nfs/dbraw/zinc/58/95/24/592589524.db2.gz BFMPKUOUJYOWDI-BYCRGOAPSA-N 0 3 238.331 0.620 20 0 BCADHN CC[C@H](CO)C(=O)N1CCC12CCN(C)CC2 ZINC000889221876 592590364 /nfs/dbraw/zinc/59/03/64/592590364.db2.gz VYYKTEGISMMLFY-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN C/C=C/C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889744366 592652466 /nfs/dbraw/zinc/65/24/66/592652466.db2.gz LWDCMNJMHCCMGP-OURHSOLNSA-N 0 3 238.331 0.620 20 0 BCADHN CC[C@@H](C(=O)NC1CC(CCO)C1)N(C)C ZINC000889979477 592665354 /nfs/dbraw/zinc/66/53/54/592665354.db2.gz IBMVURNBZYDEEK-ILDUYXDCSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)NC1CC(CCO)C1)N(C)C ZINC000889979478 592665852 /nfs/dbraw/zinc/66/58/52/592665852.db2.gz IBMVURNBZYDEEK-VQXHTEKXSA-N 0 3 228.336 0.604 20 0 BCADHN CC1(C)CCN(CCNC(=O)c2cnc[nH]2)C1 ZINC000890075521 592675816 /nfs/dbraw/zinc/67/58/16/592675816.db2.gz HGAXXPTWRZFVAS-UHFFFAOYSA-N 0 3 236.319 0.871 20 0 BCADHN CC1(C)CCN(CCNC(=O)c2ncc[nH]2)C1 ZINC000890069013 592676520 /nfs/dbraw/zinc/67/65/20/592676520.db2.gz NXGNIIBUOLZSBU-UHFFFAOYSA-N 0 3 236.319 0.871 20 0 BCADHN CCN1CC[C@H]1CNC(=O)N(C)CCN(C)C ZINC000890067837 592676997 /nfs/dbraw/zinc/67/69/97/592676997.db2.gz XGVAILIGCQJHDP-NSHDSACASA-N 0 3 242.367 0.284 20 0 BCADHN CCCCNC(=O)[C@@H](C)n1cc([C@H](C)N)nn1 ZINC000124165037 592716384 /nfs/dbraw/zinc/71/63/84/592716384.db2.gz GNAFMPDRJAHGGH-DTWKUNHWSA-N 0 3 239.323 0.775 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@H](C)C1CC1 ZINC000132959653 592739997 /nfs/dbraw/zinc/73/99/97/592739997.db2.gz WZLDVRCONCLVRF-WPRPVWTQSA-N 0 3 214.309 0.513 20 0 BCADHN C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC000095228530 599146119 /nfs/dbraw/zinc/14/61/19/599146119.db2.gz FWOYVZFKLREBLK-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC000095228530 599146122 /nfs/dbraw/zinc/14/61/22/599146122.db2.gz FWOYVZFKLREBLK-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC000095228530 599146124 /nfs/dbraw/zinc/14/61/24/599146124.db2.gz FWOYVZFKLREBLK-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC000095228530 599146126 /nfs/dbraw/zinc/14/61/26/599146126.db2.gz FWOYVZFKLREBLK-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN CN1CCC[C@@H]1CC[N@H+](C)CCC(=O)[O-] ZINC000692651752 598090774 /nfs/dbraw/zinc/09/07/74/598090774.db2.gz KAQDJQYBGDAUDB-SNVBAGLBSA-N 0 3 214.309 0.877 20 0 BCADHN CN1CCC[C@@H]1CC[N@@H+](C)CCC(=O)[O-] ZINC000692651752 598090778 /nfs/dbraw/zinc/09/07/78/598090778.db2.gz KAQDJQYBGDAUDB-SNVBAGLBSA-N 0 3 214.309 0.877 20 0 BCADHN C[C@H](CC(=O)[O-])[NH2+]CCCN1CCCC1 ZINC000049477909 598213305 /nfs/dbraw/zinc/21/33/05/598213305.db2.gz HNOVBPNAUAFTNP-SNVBAGLBSA-N 0 3 214.309 0.925 20 0 BCADHN COC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095245369 599575303 /nfs/dbraw/zinc/57/53/03/599575303.db2.gz KIILRKUJAIXAMT-VIFPVBQESA-N 0 3 247.302 0.991 20 0 BCADHN COC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095245369 599575301 /nfs/dbraw/zinc/57/53/01/599575301.db2.gz KIILRKUJAIXAMT-VIFPVBQESA-N 0 3 247.302 0.991 20 0 BCADHN CN(C)C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000036192535 600224326 /nfs/dbraw/zinc/22/43/26/600224326.db2.gz CHAUGVDNLIVCDC-UHFFFAOYSA-N 0 3 214.309 0.877 20 0 BCADHN O=C([O-])CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000257763717 600835120 /nfs/dbraw/zinc/83/51/20/600835120.db2.gz ZIDGFBOMDSNEPA-NSHDSACASA-N 0 3 226.320 0.879 20 0 BCADHN O=C([O-])C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000257763717 600835121 /nfs/dbraw/zinc/83/51/21/600835121.db2.gz ZIDGFBOMDSNEPA-NSHDSACASA-N 0 3 226.320 0.879 20 0 BCADHN O=C([O-])C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000257763717 600835122 /nfs/dbraw/zinc/83/51/22/600835122.db2.gz ZIDGFBOMDSNEPA-NSHDSACASA-N 0 3 226.320 0.879 20 0 BCADHN CC[NH+](CC)C[C@H]1CCN(CC(=O)[O-])C1 ZINC000308819486 600849351 /nfs/dbraw/zinc/84/93/51/600849351.db2.gz BMGSTSIDNCMFLX-SNVBAGLBSA-N 0 3 214.309 0.735 20 0 BCADHN C/C(=C/C[N@H+]1CC[C@H](CN(C)C)C1)C(=O)[O-] ZINC000708459426 601167404 /nfs/dbraw/zinc/16/74/04/601167404.db2.gz MXQRORAQTXQQSJ-NEOSZVFXSA-N 0 3 226.320 0.901 20 0 BCADHN C/C(=C/C[N@@H+]1CC[C@H](CN(C)C)C1)C(=O)[O-] ZINC000708459426 601167405 /nfs/dbraw/zinc/16/74/05/601167405.db2.gz MXQRORAQTXQQSJ-NEOSZVFXSA-N 0 3 226.320 0.901 20 0 BCADHN C[NH+](C)CC1CCN(CCNC(=O)[O-])CC1 ZINC000828017151 604359253 /nfs/dbraw/zinc/35/92/53/604359253.db2.gz HSALDDUOIKALEQ-UHFFFAOYSA-N 0 3 229.324 0.528 20 0 BCADHN OCCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000095156331 606635751 /nfs/dbraw/zinc/63/57/51/606635751.db2.gz UIGBDKQBTCXSJD-UHFFFAOYSA-N 0 3 233.275 0.339 20 0 BCADHN OCCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000095156331 606635752 /nfs/dbraw/zinc/63/57/52/606635752.db2.gz UIGBDKQBTCXSJD-UHFFFAOYSA-N 0 3 233.275 0.339 20 0 BCADHN C[C@@H]1CCN(c2ccnc(CO)c2)[C@H]1CO ZINC000299906721 634399063 /nfs/dbraw/zinc/39/90/63/634399063.db2.gz FYTCXDJCUHUERH-SKDRFNHKSA-N 0 3 222.288 0.781 20 0 BCADHN Cc1ncoc1CNCCCN1CCOCC1 ZINC000124402011 634418752 /nfs/dbraw/zinc/41/87/52/634418752.db2.gz WCTUWDUYHIWOCX-UHFFFAOYSA-N 0 3 239.319 0.795 20 0 BCADHN CCN1C[C@@H](NC(=O)c2ccnnc2)C(C)(C)C1 ZINC000975076254 634435604 /nfs/dbraw/zinc/43/56/04/634435604.db2.gz PLMHBMSUZXLGNA-LLVKDONJSA-N 0 3 248.330 0.937 20 0 BCADHN C[C@@H](NCc1c[nH]cn1)[C@H]1CN(C)CCO1 ZINC000124857738 634435719 /nfs/dbraw/zinc/43/57/19/634435719.db2.gz XZYFCWRRQSYRKE-MWLCHTKSSA-N 0 3 224.308 0.218 20 0 BCADHN CN1CCNC[C@H]1C(=O)N1CCCCCC1 ZINC000257754805 634492497 /nfs/dbraw/zinc/49/24/97/634492497.db2.gz SGVMVRGFLNJOGQ-NSHDSACASA-N 0 3 225.336 0.293 20 0 BCADHN C[C@]1(Br)C[C@@H]1CNC1(C(N)=O)CC1 ZINC000893553171 635153651 /nfs/dbraw/zinc/15/36/51/635153651.db2.gz KWVZXSLKXJRSCM-SVRRBLITSA-N 0 3 247.136 0.767 20 0 BCADHN CO[C@@H](C)CN1CCN(CCCCCO)CC1 ZINC000931496627 634517670 /nfs/dbraw/zinc/51/76/70/634517670.db2.gz VACLBRWBKSJSDD-ZDUSSCGKSA-N 0 3 244.379 0.802 20 0 BCADHN C[C@H](O)CN1CC[C@@H](NC(=O)C2CCCC2)C1 ZINC001009874054 634608643 /nfs/dbraw/zinc/60/86/43/634608643.db2.gz PVKFVVSMWMRXPR-CMPLNLGQSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H](C[C@H]1CCC(=O)N1)NCc1ccn(C)n1 ZINC000310117540 634614239 /nfs/dbraw/zinc/61/42/39/634614239.db2.gz UHFQNGHWWVMSOT-VHSXEESVSA-N 0 3 236.319 0.567 20 0 BCADHN CC[C@H](C)C(=O)N1CCCN(C[C@@H](C)O)CC1 ZINC000980727714 635264843 /nfs/dbraw/zinc/26/48/43/635264843.db2.gz RMTSLTDOIXPVEG-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H]1CN(C(=O)C[C@@H]2CCCO2)[C@@H](C)CN1 ZINC000083524611 635352249 /nfs/dbraw/zinc/35/22/49/635352249.db2.gz PNKMHHLJKXOPES-VWYCJHECSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1CCO ZINC001028151480 635420647 /nfs/dbraw/zinc/42/06/47/635420647.db2.gz TUYNYPJZYGKAIF-IJLUTSLNSA-N 0 3 240.347 0.605 20 0 BCADHN CCCS(=O)(=O)CCN[C@@H]1C[C@H](O)C1(C)C ZINC000233255213 635528311 /nfs/dbraw/zinc/52/83/11/635528311.db2.gz UAQPDWLPNLZCSL-ZJUUUORDSA-N 0 3 249.376 0.560 20 0 BCADHN CCCS(=O)(=O)CCN[C@@]1(C)CCO[C@H]1C ZINC000233255248 635528703 /nfs/dbraw/zinc/52/87/03/635528703.db2.gz AEVGNFJTSKKXDJ-QWRGUYRKSA-N 0 3 249.376 0.968 20 0 BCADHN CCOC(=O)/C=C/CN1CC[C@@](C)(C(N)=O)C1 ZINC000233731097 635540854 /nfs/dbraw/zinc/54/08/54/635540854.db2.gz CLZYDWVVKYQVNU-ZYOFXKKJSA-N 0 3 240.303 0.303 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@@H](N)CC(C)C ZINC000236875250 635607800 /nfs/dbraw/zinc/60/78/00/635607800.db2.gz IYQIAWKPMSGBDX-JTQLQIEISA-N 0 3 244.335 0.819 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000236875162 635608125 /nfs/dbraw/zinc/60/81/25/635608125.db2.gz WYGBVWOPMYQCHZ-SNVBAGLBSA-N 0 3 244.335 0.819 20 0 BCADHN C[C@H]1CCCCN1C(=O)[C@H]1CNCCN1C ZINC000257753331 631216321 /nfs/dbraw/zinc/21/63/21/631216321.db2.gz NSCQZBAZADYJIB-WDEREUQCSA-N 0 3 225.336 0.291 20 0 BCADHN C[S@@](=O)CCN1CCC(CO)CC1 ZINC000308290772 631267774 /nfs/dbraw/zinc/26/77/74/631267774.db2.gz DRJSHZMUYXGIMS-CYBMUJFWSA-N 0 3 205.323 0.069 20 0 BCADHN Nc1cc(NCCOCCO)c(Cl)cn1 ZINC000891461835 631370912 /nfs/dbraw/zinc/37/09/12/631370912.db2.gz WZBFRPWKAOLXJG-UHFFFAOYSA-N 0 3 231.683 0.738 20 0 BCADHN CCC[C@H](O)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000933485244 631389435 /nfs/dbraw/zinc/38/94/35/631389435.db2.gz DDFLJGFLGALVOK-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN CN1CCN(CCCNC(=O)C(F)F)CC1 ZINC000234338198 631397424 /nfs/dbraw/zinc/39/74/24/631397424.db2.gz PBXQZHUHZZWPMB-UHFFFAOYSA-N 0 3 235.278 0.005 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1CCSCC1 ZINC000308504598 631412144 /nfs/dbraw/zinc/41/21/44/631412144.db2.gz YEMANMZUXZVRQI-VIFPVBQESA-N 0 3 214.334 0.689 20 0 BCADHN CC[C@H](CO)NCc1ccc(OC)nn1 ZINC000308788791 631432819 /nfs/dbraw/zinc/43/28/19/631432819.db2.gz HNDIVUZTWMIZFD-MRVPVSSYSA-N 0 3 211.265 0.346 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)[C@@H](C)O ZINC000308591574 631436013 /nfs/dbraw/zinc/43/60/13/631436013.db2.gz KPQZWTMMTLIJLH-XHNCKOQMSA-N 0 3 223.338 0.169 20 0 BCADHN OCc1cc(N2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000085540946 631461789 /nfs/dbraw/zinc/46/17/89/631461789.db2.gz NACIBFLVYKGBRY-TXEJJXNPSA-N 0 3 220.272 0.942 20 0 BCADHN OCc1cnccc1NCCCn1cccn1 ZINC000891743841 631469820 /nfs/dbraw/zinc/46/98/20/631469820.db2.gz VXWYLXGFIRWXJV-UHFFFAOYSA-N 0 3 232.287 0.695 20 0 BCADHN C[C@H](CC[S@@](C)=O)NCc1c[nH]cn1 ZINC000131280904 631475396 /nfs/dbraw/zinc/47/53/96/631475396.db2.gz DUWAWDFREKDIQO-CLAHSXSESA-N 0 3 215.322 0.656 20 0 BCADHN CSC[C@@H](O)CN1CCC[C@H]1C1OCCO1 ZINC000933899703 631548670 /nfs/dbraw/zinc/54/86/70/631548670.db2.gz DFAQEAXCEDHWBD-UWVGGRQHSA-N 0 3 247.360 0.548 20 0 BCADHN CC1(CN2CCO[C@@H]3COCC[C@@H]32)COC1 ZINC000933964170 631574541 /nfs/dbraw/zinc/57/45/41/631574541.db2.gz LRIGXYGMBBEOJL-WDEREUQCSA-N 0 3 227.304 0.513 20 0 BCADHN 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/nfs/dbraw/zinc/83/54/47/632835447.db2.gz RQMNZCOKRACSPW-IUCAKERBSA-N 0 3 222.292 0.940 20 0 BCADHN C[C@@H](NCCSCCCO)c1cnnn1C ZINC000924980571 635821795 /nfs/dbraw/zinc/82/17/95/635821795.db2.gz QRTIEYMKOXINPK-SECBINFHSA-N 0 3 244.364 0.581 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N([C@@H]2C=CCC2)C1=O ZINC000924980888 635822053 /nfs/dbraw/zinc/82/20/53/635822053.db2.gz LQAYHYGQSHRYKV-BDAKNGLRSA-N 0 3 223.276 0.187 20 0 BCADHN CN(C)C[C@H]1NC(=O)N(CC2=CCCC2)C1=O ZINC000924995922 635834164 /nfs/dbraw/zinc/83/41/64/635834164.db2.gz KNQWOJYDOHDKKA-SNVBAGLBSA-N 0 3 237.303 0.579 20 0 BCADHN C=C/C(C)=C/CC(=O)NCCN(C)CCO ZINC000925000472 635838450 /nfs/dbraw/zinc/83/84/50/635838450.db2.gz KMEZXEYZZOZZJY-VZUCSPMQSA-N 0 3 226.320 0.549 20 0 BCADHN CCC[C@@H](C)N(C)C(=O)[C@H](N)CCOC ZINC000052791527 632895277 /nfs/dbraw/zinc/89/52/77/632895277.db2.gz VAPDQSKKYAMWQO-NXEZZACHSA-N 0 3 216.325 0.997 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)[C@@H](N)CCOC ZINC000052791341 632895592 /nfs/dbraw/zinc/89/55/92/632895592.db2.gz UFNQGDOSOOCGHX-ZJUUUORDSA-N 0 3 216.325 0.855 20 0 BCADHN CCC(C)(C)NC(=O)[C@H](N)CCOC ZINC000052790620 632895636 /nfs/dbraw/zinc/89/56/36/632895636.db2.gz ASKBDBVEWMILCE-MRVPVSSYSA-N 0 3 202.298 0.655 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)[C@H](N)CCOC ZINC000052791339 632896003 /nfs/dbraw/zinc/89/60/03/632896003.db2.gz UFNQGDOSOOCGHX-NXEZZACHSA-N 0 3 216.325 0.855 20 0 BCADHN COCC[C@H](N)C(=O)Nc1nccs1 ZINC000052790622 632896164 /nfs/dbraw/zinc/89/61/64/632896164.db2.gz VVTQLERGLHYHKK-LURJTMIESA-N 0 3 215.278 0.445 20 0 BCADHN COCC[C@H](N)C(=O)N1CCC[C@@H]1C ZINC000052809165 632899420 /nfs/dbraw/zinc/89/94/20/632899420.db2.gz RZAWGVDQHDPGEC-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN COC(=O)CC(C)(C)NCC(=O)NC(C)C ZINC000177920570 632904341 /nfs/dbraw/zinc/90/43/41/632904341.db2.gz XIBWNBJVSLTTTN-UHFFFAOYSA-N 0 3 230.308 0.442 20 0 BCADHN C[C@H](NCC1(O)CCC1)c1cnnn1C ZINC000925023513 635856057 /nfs/dbraw/zinc/85/60/57/635856057.db2.gz NTVDQVXYBRTLLO-QMMMGPOBSA-N 0 3 210.281 0.381 20 0 BCADHN NC(=O)[C@@H]1CCN(Cc2ccc(O)c(F)c2)C1 ZINC000236277495 632912443 /nfs/dbraw/zinc/91/24/43/632912443.db2.gz ZUAXEXVLIGYRIH-SECBINFHSA-N 0 3 238.262 0.839 20 0 BCADHN NC(=O)[C@H]1CCN(Cc2ccc(O)c(F)c2)C1 ZINC000236280615 632913238 /nfs/dbraw/zinc/91/32/38/632913238.db2.gz ZUAXEXVLIGYRIH-VIFPVBQESA-N 0 3 238.262 0.839 20 0 BCADHN Cc1cc(N(C)C[C@H](O)C2CC2)nc(N)n1 ZINC000309310287 632918003 /nfs/dbraw/zinc/91/80/03/632918003.db2.gz WTYOMYDEZVTPBS-VIFPVBQESA-N 0 3 222.292 0.574 20 0 BCADHN CS[C@@H]1CC[C@H](NC(=O)C2(N)CC2)C1 ZINC000161651975 633010307 /nfs/dbraw/zinc/01/03/07/633010307.db2.gz SCRRZPXCXDZNMU-JGVFFNPUSA-N 0 3 214.334 0.878 20 0 BCADHN CC(C)[C@](C)(O)CN[C@H](C)c1cnnn1C ZINC000925045450 635869455 /nfs/dbraw/zinc/86/94/55/635869455.db2.gz WEMSQWWKQOCRSA-MWLCHTKSSA-N 0 3 226.324 0.873 20 0 BCADHN Cc1ncc(C(=O)N[C@H]2CCN(C)[C@@H]2C)n1C ZINC000928428025 635905810 /nfs/dbraw/zinc/90/58/10/635905810.db2.gz UTNVAFDSJLXKSJ-SCZZXKLOSA-N 0 3 236.319 0.551 20 0 BCADHN CC[C@@H]1COC[C@@H]1N[C@@H](C)C(=O)N(C)OC ZINC000926771406 633020815 /nfs/dbraw/zinc/02/08/15/633020815.db2.gz BRJQJNJMYGIVMP-AEJSXWLSSA-N 0 3 230.308 0.409 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1COC[C@@H]1C ZINC000926772715 633024428 /nfs/dbraw/zinc/02/44/28/633024428.db2.gz SLZGPOGXFXQMND-XHNCKOQMSA-N 0 3 216.281 0.019 20 0 BCADHN CSC[C@](C)(O)CNc1ccncc1CO ZINC000892629633 633030014 /nfs/dbraw/zinc/03/00/14/633030014.db2.gz DDHWKOZESGKFCY-LLVKDONJSA-N 0 3 242.344 0.522 20 0 BCADHN C[C@@H](N)C(=O)N(C)Cc1ncc(Cl)n1C ZINC000309416915 633039566 /nfs/dbraw/zinc/03/95/66/633039566.db2.gz JJEPQOKVVNQUDO-ZCFIWIBFSA-N 0 3 230.699 0.379 20 0 BCADHN CC[C@H](CO)NCc1cc(=O)n2ccccc2n1 ZINC000048655137 635882742 /nfs/dbraw/zinc/88/27/42/635882742.db2.gz ROCDPLBYDGHVMA-SNVBAGLBSA-N 0 3 247.298 0.555 20 0 BCADHN Cc1ccnc(N)c1CN[C@@H]1C=C[C@H](CO)C1 ZINC000894400306 635889461 /nfs/dbraw/zinc/88/94/61/635889461.db2.gz RHKXKXLXCMVANU-WDEREUQCSA-N 0 3 233.315 0.999 20 0 BCADHN Cc1cc(N[C@@H](C)C[S@@](C)=O)nc(N)n1 ZINC000164193793 635898047 /nfs/dbraw/zinc/89/80/47/635898047.db2.gz DLWGXSBBFICKGO-ZIDLFYJRSA-N 0 3 228.321 0.546 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928425439 635899185 /nfs/dbraw/zinc/89/91/85/635899185.db2.gz IUYJTZJAXXJUKC-QEYWKRMJSA-N 0 3 240.303 0.004 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2cccnn2)CCN1C ZINC000928428337 635908377 /nfs/dbraw/zinc/90/83/77/635908377.db2.gz XANSJMAWBNYNOP-DTWKUNHWSA-N 0 3 220.276 0.299 20 0 BCADHN C[NH+](C)[C@H]1CCCN(c2cc(=O)[n-]cn2)C1 ZINC000165426863 633091767 /nfs/dbraw/zinc/09/17/67/633091767.db2.gz RSUDMRAIDOPRSE-VIFPVBQESA-N 0 3 222.292 0.300 20 0 BCADHN C[C@H](O)CN1CCC[C@@H](NC(=O)CC2CC2)C1 ZINC001006556518 633117799 /nfs/dbraw/zinc/11/77/99/633117799.db2.gz YLABBTUEVVFYSX-CMPLNLGQSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)NC(=O)[C@@H](C)n1cc([C@@H](C)N)nn1 ZINC000167100283 633122726 /nfs/dbraw/zinc/12/27/26/633122726.db2.gz ISTHSBBOPGTAPC-HTQZYQBOSA-N 0 3 225.296 0.383 20 0 BCADHN C[C@@H](N)c1cn(CCc2ccccn2)nn1 ZINC000167106428 633124115 /nfs/dbraw/zinc/12/41/15/633124115.db2.gz RFVLWTFSUHNSNL-SECBINFHSA-N 0 3 217.276 0.936 20 0 BCADHN C=C/C=C\CCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000925076093 635911702 /nfs/dbraw/zinc/91/17/02/635911702.db2.gz TYWOQSBXBNJJOL-WWQCOOJYSA-N 0 3 237.303 0.601 20 0 BCADHN O=C1CC[C@H](CN2CCC[C@H](OCCO)C2)O1 ZINC000851773036 633183104 /nfs/dbraw/zinc/18/31/04/633183104.db2.gz OUSZIYPPVDJWMJ-WDEREUQCSA-N 0 3 243.303 0.165 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2cn(C3CC3)nn2)CCN1C ZINC000928430866 635915886 /nfs/dbraw/zinc/91/58/86/635915886.db2.gz ZUMWLSBLMMJXSB-WPRPVWTQSA-N 0 3 249.318 0.435 20 0 BCADHN Cc1cc(N)nc(NC[C@H](C)CCO)n1 ZINC000892731300 633204054 /nfs/dbraw/zinc/20/40/54/633204054.db2.gz LXCPNAMTDHVJSC-SSDOTTSWSA-N 0 3 210.281 0.798 20 0 BCADHN Cc1ccn(CC(=O)N[C@@H]2CCN(C)[C@H]2C)n1 ZINC000928432351 635920326 /nfs/dbraw/zinc/92/03/26/635920326.db2.gz JJHYOSVLKWPSCC-WDEREUQCSA-N 0 3 236.319 0.400 20 0 BCADHN O=C1NCCN1CCN1CCC(F)CC1 ZINC000880239606 635920383 /nfs/dbraw/zinc/92/03/83/635920383.db2.gz NPOCAVOSPCUMSC-UHFFFAOYSA-N 0 3 215.272 0.446 20 0 BCADHN CO[C@H](C)CC(=O)N1CCN[C@H](C)[C@H]1C ZINC000309600245 633209595 /nfs/dbraw/zinc/20/95/95/633209595.db2.gz WEXYAZFPFWIWRY-OPRDCNLKSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@@H]1CCC[C@H]1N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924602842 633214492 /nfs/dbraw/zinc/21/44/92/633214492.db2.gz DQZBLYYAUMQXAK-OPRDCNLKSA-N 0 3 239.319 0.657 20 0 BCADHN C[C@@H]1[C@H](NC(=O)C2(O)CCC2)CCN1C ZINC000928433927 635928257 /nfs/dbraw/zinc/92/82/57/635928257.db2.gz BJUNLWNBYYCZAP-RKDXNWHRSA-N 0 3 212.293 0.110 20 0 BCADHN COc1cccc(CN[C@H](CO)C2CC2)n1 ZINC000309716036 633231643 /nfs/dbraw/zinc/23/16/43/633231643.db2.gz SWSDEBCXMUEGFZ-LLVKDONJSA-N 0 3 222.288 0.951 20 0 BCADHN Cc1nc(C)c(C(=O)N[C@H]2CCN(C)[C@@H]2C)[nH]1 ZINC000928436133 635932293 /nfs/dbraw/zinc/93/22/93/635932293.db2.gz UNXJVMHTLODJLJ-SCZZXKLOSA-N 0 3 236.319 0.849 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCCO2)CCN1C ZINC000928438505 635933825 /nfs/dbraw/zinc/93/38/25/635933825.db2.gz JZFLPRYEOCDPJX-SCVCMEIPSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1NC(=S)N([C@H]2CCCN(C)C2)C1=O ZINC000048843594 635933942 /nfs/dbraw/zinc/93/39/42/635933942.db2.gz FZERFQHZKMHPFI-YUMQZZPRSA-N 0 3 227.333 0.186 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2ccn(C)c2)CCN1C ZINC000928439755 635936654 /nfs/dbraw/zinc/93/66/54/635936654.db2.gz LWXVZKHOWMYEKH-KOLCDFICSA-N 0 3 221.304 0.848 20 0 BCADHN C[C@]1(CNC(=O)[C@@H](N)CC2CC2)CCCO1 ZINC000304324865 635938312 /nfs/dbraw/zinc/93/83/12/635938312.db2.gz GOTQRBGCTGAEDT-CMPLNLGQSA-N 0 3 226.320 0.799 20 0 BCADHN CC[C@H](NC(=O)[C@@H](N)CC1CC1)C(=O)OC ZINC000304323959 635938388 /nfs/dbraw/zinc/93/83/88/635938388.db2.gz GKZDYDJDXKJEKZ-IUCAKERBSA-N 0 3 228.292 0.182 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2ccncn2)CCN1C ZINC000928440848 635940151 /nfs/dbraw/zinc/94/01/51/635940151.db2.gz LXKMVWSGCBGTTC-IUCAKERBSA-N 0 3 220.276 0.299 20 0 BCADHN Cc1cc(NC(=O)[C@H](N)CC2CC2)n(C)n1 ZINC000304393934 635940249 /nfs/dbraw/zinc/94/02/49/635940249.db2.gz UMLRDHURIWLMAJ-SECBINFHSA-N 0 3 222.292 0.794 20 0 BCADHN CCC1(C(=O)N[C@H]2CCN(C)[C@@H]2C)COC1 ZINC000928441221 635940506 /nfs/dbraw/zinc/94/05/06/635940506.db2.gz PELXMZJGEOZFFW-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN COC(=O)C[C@H](C)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928440486 635940840 /nfs/dbraw/zinc/94/08/40/635940840.db2.gz NKLGVGAMARIFPS-IVZWLZJFSA-N 0 3 242.319 0.394 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)n(C)n1 ZINC000928445234 635948569 /nfs/dbraw/zinc/94/85/69/635948569.db2.gz POBBXOKIKOQNNR-ZJUUUORDSA-N 0 3 236.319 0.551 20 0 BCADHN CCn1ccnc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928445567 635948783 /nfs/dbraw/zinc/94/87/83/635948783.db2.gz ZCRPSAFKCYAVCE-NXEZZACHSA-N 0 3 236.319 0.725 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)n(C)n1 ZINC000928445231 635949892 /nfs/dbraw/zinc/94/98/92/635949892.db2.gz POBBXOKIKOQNNR-NXEZZACHSA-N 0 3 236.319 0.551 20 0 BCADHN CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928450219 635954610 /nfs/dbraw/zinc/95/46/10/635954610.db2.gz SXRSNTUCYHHCLP-WCBMZHEXSA-N 0 3 241.335 0.110 20 0 BCADHN O=C1O[C@H](CN2C[C@@H]3C[C@]3(O)C2)CN1C1CC1 ZINC000880419649 635954846 /nfs/dbraw/zinc/95/48/46/635954846.db2.gz OAEFRCATCHQBJY-XRNSZHNASA-N 0 3 238.287 0.036 20 0 BCADHN Cc1nc([C@H]2CCN(Cc3cnnn3C)C2)n[nH]1 ZINC000895006943 636016041 /nfs/dbraw/zinc/01/60/41/636016041.db2.gz CRBFKVFFSBXLHY-VIFPVBQESA-N 0 3 247.306 0.231 20 0 BCADHN Cc1n[nH]c([C@H]2CCN(Cc3cnnn3C)C2)n1 ZINC000895006943 636016044 /nfs/dbraw/zinc/01/60/44/636016044.db2.gz CRBFKVFFSBXLHY-VIFPVBQESA-N 0 3 247.306 0.231 20 0 BCADHN Cc1nnc([C@H]2CCN(Cc3cnnn3C)C2)[nH]1 ZINC000895006943 636016047 /nfs/dbraw/zinc/01/60/47/636016047.db2.gz CRBFKVFFSBXLHY-VIFPVBQESA-N 0 3 247.306 0.231 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)NOCC3CC3)[C@@H]2C1 ZINC000895042618 636019066 /nfs/dbraw/zinc/01/90/66/636019066.db2.gz CXRCBKLLDCYBGX-WDEREUQCSA-N 0 3 239.319 0.674 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)NOCC2CC2)C1 ZINC000895042617 636019323 /nfs/dbraw/zinc/01/93/23/636019323.db2.gz CXRCBKLLDCYBGX-QWRGUYRKSA-N 0 3 239.319 0.674 20 0 BCADHN COC[C@H](CC(C)C)NCC(=O)N(C)OC ZINC000895042243 636019356 /nfs/dbraw/zinc/01/93/56/636019356.db2.gz CGCORNIBPNDWAF-JTQLQIEISA-N 0 3 232.324 0.657 20 0 BCADHN C[C@@H]1C[C@H](O)CN(CC[S@](C)=O)C1 ZINC000307124392 635982358 /nfs/dbraw/zinc/98/23/58/635982358.db2.gz RDKUDFRYBQWLNK-ZDMBXUJBSA-N 0 3 205.323 0.068 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCC2(C1)OCCO2 ZINC000307141856 635983821 /nfs/dbraw/zinc/98/38/21/635983821.db2.gz JDYGOVLOFBGYAJ-JTQLQIEISA-N 0 3 229.320 0.842 20 0 BCADHN CCN1CC[C@@H](NC(=S)NC2CC2)C1 ZINC000307512458 635988420 /nfs/dbraw/zinc/98/84/20/635988420.db2.gz PPAFGTVMUJCJIG-SECBINFHSA-N 0 3 213.350 0.707 20 0 BCADHN Cn1cc(CNC[C@H]2COCO2)c(C(F)F)n1 ZINC000894878944 635991975 /nfs/dbraw/zinc/99/19/75/635991975.db2.gz NTAPDESNENXFGY-QMMMGPOBSA-N 0 3 247.245 0.820 20 0 BCADHN CSCC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928457223 635997175 /nfs/dbraw/zinc/99/71/75/635997175.db2.gz URCQATFBKDPZTO-HTQZYQBOSA-N 0 3 202.323 0.558 20 0 BCADHN Cc1ccnc(N)c1CNC[C@H]1COCO1 ZINC000894891094 635999761 /nfs/dbraw/zinc/99/97/61/635999761.db2.gz YGQNKZIDLZJEQS-VIFPVBQESA-N 0 3 223.276 0.435 20 0 BCADHN CN(CC(=O)NC[C@H]1CCN1C)C1CCC1 ZINC000928555100 636092805 /nfs/dbraw/zinc/09/28/05/636092805.db2.gz SITZWDLOKWMOBI-LLVKDONJSA-N 0 3 225.336 0.291 20 0 BCADHN CN1CC[C@H]1CNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000928557018 636095645 /nfs/dbraw/zinc/09/56/45/636095645.db2.gz YFYLCJXOGNPPIB-QWRGUYRKSA-N 0 3 239.363 0.680 20 0 BCADHN CN1CC[C@H]1CNC(=O)[C@H]1CCCN1C1CC1 ZINC000928558526 636099429 /nfs/dbraw/zinc/09/94/29/636099429.db2.gz WZUJKZMEBMROMG-NWDGAFQWSA-N 0 3 237.347 0.434 20 0 BCADHN CN1CC[C@H]1CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000928558528 636099692 /nfs/dbraw/zinc/09/96/92/636099692.db2.gz WZUJKZMEBMROMG-RYUDHWBXSA-N 0 3 237.347 0.434 20 0 BCADHN CC1CCN(CC(=O)NC[C@@H]2CCN2C)CC1 ZINC000928558860 636100652 /nfs/dbraw/zinc/10/06/52/636100652.db2.gz FLPUMMJRLGBNTQ-LBPRGKRZSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@H](O)CCN(C)c1ccncc1CO ZINC000219849991 633847267 /nfs/dbraw/zinc/84/72/67/633847267.db2.gz TZEFUJHERWWHEW-VIFPVBQESA-N 0 3 210.277 0.781 20 0 BCADHN C[C@H]1CN(CC2CN(S(C)(=O)=O)C2)[C@H]1C ZINC000930581819 633910856 /nfs/dbraw/zinc/91/08/56/633910856.db2.gz IXBACEYKMQXDLG-IUCAKERBSA-N 0 3 232.349 0.218 20 0 BCADHN C[C@@H]1CN(CC2CN(S(C)(=O)=O)C2)[C@H]1C ZINC000930581816 633911127 /nfs/dbraw/zinc/91/11/27/633911127.db2.gz IXBACEYKMQXDLG-BDAKNGLRSA-N 0 3 232.349 0.218 20 0 BCADHN COc1cc(NC(=O)[C@@H](C)N)ccc1N ZINC000309507012 633939829 /nfs/dbraw/zinc/93/98/29/633939829.db2.gz WEJHDRFUHITIAV-ZCFIWIBFSA-N 0 3 209.249 0.563 20 0 BCADHN COC[C@@H]1CCCN(CC2OCCO2)C1 ZINC000182296634 633942165 /nfs/dbraw/zinc/94/21/65/633942165.db2.gz KSPOQZNGALARAP-SNVBAGLBSA-N 0 3 215.293 0.718 20 0 BCADHN O[C@@]1(C(F)F)CCN(C[C@@H]2COCCO2)C1 ZINC000930622416 633946176 /nfs/dbraw/zinc/94/61/76/633946176.db2.gz FJZQRJNVJMUOBL-SCZZXKLOSA-N 0 3 237.246 0.104 20 0 BCADHN CN(C)C(=O)CCCNCc1cn(C)cn1 ZINC000309942722 633965538 /nfs/dbraw/zinc/96/55/38/633965538.db2.gz CCJPQFOFAVSMSA-UHFFFAOYSA-N 0 3 224.308 0.378 20 0 BCADHN COC(CN(CCCO)C[C@@H](C)OC)OC ZINC000183663418 633986921 /nfs/dbraw/zinc/98/69/21/633986921.db2.gz QFEXAFASASKDNW-SNVBAGLBSA-N 0 3 235.324 0.325 20 0 BCADHN COC1(CNCc2c[nH]cn2)CCOCC1 ZINC000309963673 633992130 /nfs/dbraw/zinc/99/21/30/633992130.db2.gz MLXAKCCFPOVGCC-UHFFFAOYSA-N 0 3 225.292 0.695 20 0 BCADHN C[C@@H](NCc1ccnc(N(C)C)n1)[C@H](C)O ZINC000309980383 634019980 /nfs/dbraw/zinc/01/99/80/634019980.db2.gz VUQHTKBZXKOCQS-BDAKNGLRSA-N 0 3 224.308 0.402 20 0 BCADHN COc1ccc(CN[C@H]2C[C@H](C(N)=O)C2)o1 ZINC000895591138 636166108 /nfs/dbraw/zinc/16/61/08/636166108.db2.gz ORCPCFGTVLYAHA-ZKCHVHJHSA-N 0 3 224.260 0.642 20 0 BCADHN CON1CC[C@H](N2C[C@@H](C)C[C@H](CO)C2)C1=O ZINC000930748262 634085545 /nfs/dbraw/zinc/08/55/45/634085545.db2.gz JCZLPUAQOQFKMH-DCAQKATOSA-N 0 3 242.319 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0 3 249.314 0.486 20 0 BCADHN CC(=O)OC(C)(C)C(=O)N(C)CCN(C)C ZINC000779804730 644717148 /nfs/dbraw/zinc/71/71/48/644717148.db2.gz YFDPBVLSSXNFLO-UHFFFAOYSA-N 0 3 230.308 0.348 20 0 BCADHN CC[C@@H](CO)C(=O)N(C)CCN(C)C ZINC000779804358 644717382 /nfs/dbraw/zinc/71/73/82/644717382.db2.gz WCVYSKMDEZDWFJ-VIFPVBQESA-N 0 3 202.298 0.025 20 0 BCADHN C[C@H]1CCN(CCC2OCCO2)[C@@H](C(N)=O)C1 ZINC000249538264 644726833 /nfs/dbraw/zinc/72/68/33/644726833.db2.gz DCINVEFVMCBGEC-VHSXEESVSA-N 0 3 242.319 0.335 20 0 BCADHN CC(=O)N[C@@H]1[C@H]2CN(CCc3cnn(C)c3)C[C@H]21 ZINC000957990131 644766884 /nfs/dbraw/zinc/76/68/84/644766884.db2.gz DRSGKRCUKZWINB-ITGUQSILSA-N 0 3 248.330 0.029 20 0 BCADHN Cc1cc(N2CCC[C@@H]2CCO)nc(N)n1 ZINC000303742427 644842756 /nfs/dbraw/zinc/84/27/56/644842756.db2.gz QRSSXARXSGESBG-SECBINFHSA-N 0 3 222.292 0.718 20 0 BCADHN CCN(C/C=C(/C)C(=O)OC)CCOCCO ZINC000304209253 644876566 /nfs/dbraw/zinc/87/65/66/644876566.db2.gz SCQKBHDVECHZKK-WZUFQYTHSA-N 0 3 245.319 0.437 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCCOCC1CC1 ZINC000304308594 644889785 /nfs/dbraw/zinc/88/97/85/644889785.db2.gz CLFSZWLDSNWVRU-NSHDSACASA-N 0 3 226.320 0.657 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCCOCC1CC1 ZINC000304308592 644890436 /nfs/dbraw/zinc/89/04/36/644890436.db2.gz CLFSZWLDSNWVRU-LLVKDONJSA-N 0 3 226.320 0.657 20 0 BCADHN CCOC(=O)[C@@H](C)NC(=O)[C@H](N)CC1CC1 ZINC000304340408 644894047 /nfs/dbraw/zinc/89/40/47/644894047.db2.gz ITWQYPRPEUJCAW-VXNVDRBHSA-N 0 3 228.292 0.182 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC2CC2)CCO1 ZINC000304364546 644897281 /nfs/dbraw/zinc/89/72/81/644897281.db2.gz NFHKSCPVCYPTRM-MIMYLULJSA-N 0 3 226.320 0.798 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H](N)CC2CC2)CCO1 ZINC000304364541 644897528 /nfs/dbraw/zinc/89/75/28/644897528.db2.gz NFHKSCPVCYPTRM-DVVUODLYSA-N 0 3 226.320 0.798 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](N)CC2CC2)CCO1 ZINC000304365540 644898365 /nfs/dbraw/zinc/89/83/65/644898365.db2.gz NIWJDSADPHOFMV-GHMZBOCLSA-N 0 3 226.320 0.751 20 0 BCADHN COCC[C@H](N)C(=O)N1CCS[C@@H](C)[C@H]1C ZINC000253056377 644932141 /nfs/dbraw/zinc/93/21/41/644932141.db2.gz ASQLWRQOWULRJM-UTLUCORTSA-N 0 3 246.376 0.703 20 0 BCADHN C[C@H]1CN(c2ccncc2CO)CC[C@H]1O ZINC000253182416 644941391 /nfs/dbraw/zinc/94/13/91/644941391.db2.gz JBGPEHCOPOMYPX-JOYOIKCWSA-N 0 3 222.288 0.781 20 0 BCADHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C1(N)CC1 ZINC000818434529 644997540 /nfs/dbraw/zinc/99/75/40/644997540.db2.gz VZHNHEBBGFLFAV-LLVKDONJSA-N 0 3 246.314 0.770 20 0 BCADHN CC[C@@H](O)CNC[C@@H](OC)C(F)(F)F ZINC000819067859 645003286 /nfs/dbraw/zinc/00/32/86/645003286.db2.gz JRAVYGRIYBAKEV-RNFRBKRXSA-N 0 3 215.215 0.924 20 0 BCADHN CCOC[C@H](O)CNC[C@H](OC)C(F)(F)F ZINC000819066769 645003356 /nfs/dbraw/zinc/00/33/56/645003356.db2.gz DLTQKFSPBUHRHS-SFYZADRCSA-N 0 3 245.241 0.551 20 0 BCADHN CN1CCC[C@H](NC(=O)/C=C/[C@@H]2CCCO2)C1 ZINC000819247125 645008225 /nfs/dbraw/zinc/00/82/25/645008225.db2.gz JTAAGAMBYQNFIJ-KZQRZKTQSA-N 0 3 238.331 0.932 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000842769615 645065278 /nfs/dbraw/zinc/06/52/78/645065278.db2.gz PYWKKVNYXCIRQN-KXUCPTDWSA-N 0 3 230.308 0.552 20 0 BCADHN CC(C)NC(=O)NCCN1CCN(C)[C@H](C)C1 ZINC000828103635 645097130 /nfs/dbraw/zinc/09/71/30/645097130.db2.gz UOLQDWUAFQOHBG-LLVKDONJSA-N 0 3 242.367 0.330 20 0 BCADHN CC(C)N(CC[S@@](C)=O)[C@H]1CCOC1 ZINC000828559944 645105728 /nfs/dbraw/zinc/10/57/28/645105728.db2.gz HTNBKFYZBUJCIW-IINYFYTJSA-N 0 3 219.350 0.864 20 0 BCADHN CC[C@H](N[C@H](C)c1cnnn1C)[C@H](C)O ZINC000926524107 645253925 /nfs/dbraw/zinc/25/39/25/645253925.db2.gz AOPJSRDEUMWFFD-VGMNWLOBSA-N 0 3 212.297 0.625 20 0 BCADHN C[C@@H](O)[C@@H](CO)NC[C@H](O)c1ccccc1F ZINC000843061786 645260168 /nfs/dbraw/zinc/26/01/68/645260168.db2.gz HXZTXPCAUMHNSG-FXAINCCUSA-N 0 3 243.278 0.190 20 0 BCADHN C[C@@H](N[C@@H]1CCc2nnnn2CC1)c1ncc[nH]1 ZINC000926606574 645311594 /nfs/dbraw/zinc/31/15/94/645311594.db2.gz NZOWMFGEBMXZIS-RKDXNWHRSA-N 0 3 247.306 0.452 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@@H]1CC[C@H]1O ZINC000926612737 645313837 /nfs/dbraw/zinc/31/38/37/645313837.db2.gz ANVPVRZJTNEOKF-HLTSFMKQSA-N 0 3 201.266 0.251 20 0 BCADHN CCNCC(=O)Nc1cnn(-c2ccccn2)c1 ZINC000844186053 645317623 /nfs/dbraw/zinc/31/76/23/645317623.db2.gz FFXTVEYJGSZAOR-UHFFFAOYSA-N 0 3 245.286 0.815 20 0 BCADHN C[C@H](NCCN1CCCC1=O)c1ccnnc1 ZINC000926654799 645340924 /nfs/dbraw/zinc/34/09/24/645340924.db2.gz RHYKYBTWNYUKIS-JTQLQIEISA-N 0 3 234.303 0.750 20 0 BCADHN C[C@@H](N[C@H](CO)C1CCC1)c1cnnn1C ZINC000926681008 645352633 /nfs/dbraw/zinc/35/26/33/645352633.db2.gz UKTMIPWHWLKBHJ-PSASIEDQSA-N 0 3 224.308 0.627 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1N[C@H]1C[C@@H](O)C12CCC2 ZINC000926713417 645375369 /nfs/dbraw/zinc/37/53/69/645375369.db2.gz KBGNHVCFWYPRNU-AEJSXWLSSA-N 0 3 238.331 0.404 20 0 BCADHN CCCN1CC[C@@H](N[C@H](C)c2cnn(C)n2)C1 ZINC000926717101 645381415 /nfs/dbraw/zinc/38/14/15/645381415.db2.gz ZOETYKBZAUWPGC-GHMZBOCLSA-N 0 3 237.351 0.950 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1NCC1SCCS1 ZINC000926724585 645386380 /nfs/dbraw/zinc/38/63/80/645386380.db2.gz QFPPCFYFUNVYLH-QMMMGPOBSA-N 0 3 246.401 0.907 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NCC1SCCS1 ZINC000926724583 645387924 /nfs/dbraw/zinc/38/79/24/645387924.db2.gz QFPPCFYFUNVYLH-MRVPVSSYSA-N 0 3 246.401 0.907 20 0 BCADHN Cc1ccc(CN[C@H]2C[C@@H](C(N)=O)C2)nn1 ZINC000846048356 645393963 /nfs/dbraw/zinc/39/39/63/645393963.db2.gz ZYLPQAPVJZWNLN-WAAGHKOSSA-N 0 3 220.276 0.139 20 0 BCADHN COC1(OC)CC[C@@H]1NC[C@@H](O)[C@H]1CCCO1 ZINC000926750597 645403596 /nfs/dbraw/zinc/40/35/96/645403596.db2.gz RXOWANNNWKRTFD-MXWKQRLJSA-N 0 3 245.319 0.267 20 0 BCADHN CON1CCN(C[C@@H](O)C(C)(C)C)CC1 ZINC000846970150 645409080 /nfs/dbraw/zinc/40/90/80/645409080.db2.gz BGBQWFIHMYQALY-SNVBAGLBSA-N 0 3 216.325 0.572 20 0 BCADHN CON1CCN(CC2CCOCC2)CC1 ZINC000846980128 645412104 /nfs/dbraw/zinc/41/21/04/645412104.db2.gz UWSCPPYLNAMXLO-UHFFFAOYSA-N 0 3 214.309 0.592 20 0 BCADHN C[C@@H](NCCN1CC[C@@H](O)C1)c1ccns1 ZINC000926767309 645413991 /nfs/dbraw/zinc/41/39/91/645413991.db2.gz NDSDCGDBAFESAF-NXEZZACHSA-N 0 3 241.360 0.860 20 0 BCADHN CON(C)C(=O)CN1CCCCC[C@@H]1CO ZINC000847017589 645417874 /nfs/dbraw/zinc/41/78/74/645417874.db2.gz RKDJMKVIHFBFKT-SNVBAGLBSA-N 0 3 230.308 0.243 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CO[C@@H](C)[C@H]1C ZINC000926772991 645418381 /nfs/dbraw/zinc/41/83/81/645418381.db2.gz XURCCJOFHQHXOT-XFWSIPNHSA-N 0 3 230.308 0.408 20 0 BCADHN C[C@@H](NCCN1CC[C@H](O)C1)c1ccns1 ZINC000926774388 645418881 /nfs/dbraw/zinc/41/88/81/645418881.db2.gz NDSDCGDBAFESAF-ZJUUUORDSA-N 0 3 241.360 0.860 20 0 BCADHN Cc1ccc(C(N)=O)c(NC(=O)[C@@H](C)N)c1 ZINC000848441500 645438278 /nfs/dbraw/zinc/43/82/78/645438278.db2.gz WJAIVZSRJZZQRJ-SSDOTTSWSA-N 0 3 221.260 0.380 20 0 BCADHN CSCc1nc(CN[C@@H]2COC[C@H]2C)n[nH]1 ZINC000926878230 645470963 /nfs/dbraw/zinc/47/09/63/645470963.db2.gz PTGCJFNBJYRPFC-HTQZYQBOSA-N 0 3 242.348 0.792 20 0 BCADHN Cc1cc(CCN[C@@H](C)c2cnnn2C)nn1C ZINC000926912647 645485391 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RKSMGGLEKGTHNV-JTQLQIEISA-N 0 3 242.319 0.386 20 0 BCADHN CCN(CCc1nccs1)C[C@@H](O)CO ZINC000930088659 646428719 /nfs/dbraw/zinc/42/87/19/646428719.db2.gz USYJQAWOLZHTBH-SECBINFHSA-N 0 3 230.333 0.361 20 0 BCADHN CC1=CCN(C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000930094811 646433608 /nfs/dbraw/zinc/43/36/08/646433608.db2.gz NHTFDVWTJXHSDL-OLZOCXBDSA-N 0 3 241.331 0.541 20 0 BCADHN C[C@@H](NC[C@@H]1CNCCO1)c1ncc[nH]1 ZINC000925710101 646434683 /nfs/dbraw/zinc/43/46/83/646434683.db2.gz WEXNRYNCZXLKFN-BDAKNGLRSA-N 0 3 210.281 0.049 20 0 BCADHN CN(CCCc1cccnc1)[C@H]1CCNC1=O ZINC000930104949 646436499 /nfs/dbraw/zinc/43/64/99/646436499.db2.gz IPQLRKLZBBSEMJ-LBPRGKRZSA-N 0 3 233.315 0.835 20 0 BCADHN C[C@H](CNC(=O)c1coc(C=O)c1)N(C)C ZINC000930099043 646437235 /nfs/dbraw/zinc/43/72/35/646437235.db2.gz WTQFIHQHSBFOSK-MRVPVSSYSA-N 0 3 224.260 0.772 20 0 BCADHN CC(=O)NCCCCCN(C)[C@H]1CCNC1=O ZINC000930106193 646438331 /nfs/dbraw/zinc/43/83/31/646438331.db2.gz WCIXJUFOUIDSSV-NSHDSACASA-N 0 3 241.335 0.113 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BCADHN C[C@H](CS(C)(=O)=O)NCc1cc(N)ccn1 ZINC000925770009 646471069 /nfs/dbraw/zinc/47/10/69/646471069.db2.gz DYAKALWXMOMUHR-MRVPVSSYSA-N 0 3 243.332 0.187 20 0 BCADHN C[C@H](O)[C@H](O)CN[C@@H](CCO)c1ccccc1 ZINC000930189940 646484293 /nfs/dbraw/zinc/48/42/93/646484293.db2.gz FARSMHUTPRMFJK-WCFLWFBJSA-N 0 3 239.315 0.441 20 0 BCADHN CCO[C@H]1C[C@@H](N[C@@H]2CNOC2)C12CCC2 ZINC000925869246 646520609 /nfs/dbraw/zinc/52/06/09/646520609.db2.gz ZYSKDHDDIXHGSC-MXWKQRLJSA-N 0 3 226.320 0.827 20 0 BCADHN C[C@H]1COC[C@H]1NC[C@H](O)C(F)(F)F ZINC000926270797 646609830 /nfs/dbraw/zinc/60/98/30/646609830.db2.gz TYWBIKRTTSODEK-XVMARJQXSA-N 0 3 213.199 0.534 20 0 BCADHN C[C@H]1[C@H](C)OC[C@H]1NC[C@H](O)C(F)(F)F ZINC000926264488 646608647 /nfs/dbraw/zinc/60/86/47/646608647.db2.gz CHHUTPLRXHGGID-HSNKUXOKSA-N 0 3 227.226 0.923 20 0 BCADHN C[C@@H]1OC[C@@H](NC[C@@H](O)C(F)(F)F)[C@@H]1C ZINC000926269985 646610480 /nfs/dbraw/zinc/61/04/80/646610480.db2.gz CHHUTPLRXHGGID-ULAWRXDQSA-N 0 3 227.226 0.923 20 0 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ZINC000178334986 711696296 /nfs/dbraw/zinc/69/62/96/711696296.db2.gz WMIXZZJKUTXLLO-VIFPVBQESA-N 0 3 244.335 0.832 20 0 BCADHN COC(=O)C(C)(C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000237112461 711766329 /nfs/dbraw/zinc/76/63/29/711766329.db2.gz MFMVBVYGJGETBO-MRVPVSSYSA-N 0 3 244.335 0.675 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2ccn(C)n2)CCN1C ZINC000928448389 711772542 /nfs/dbraw/zinc/77/25/42/711772542.db2.gz NWNDOEDVIAQULJ-RKDXNWHRSA-N 0 3 222.292 0.243 20 0 BCADHN CSCCNC(=O)[C@@H](N)CC1CC1 ZINC000379366453 711800488 /nfs/dbraw/zinc/80/04/88/711800488.db2.gz KRXKRNWIDQCKOU-QMMMGPOBSA-N 0 3 202.323 0.593 20 0 BCADHN CCCCN1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076662773 711807398 /nfs/dbraw/zinc/80/73/98/711807398.db2.gz WMNZUWYVCIQSRL-GHMZBOCLSA-N 0 3 226.320 0.358 20 0 BCADHN CC(=O)N[C@@H]1CN(CC2CC(F)(F)C2)C[C@H]1O ZINC001076656969 711806964 /nfs/dbraw/zinc/80/69/64/711806964.db2.gz PIFRDSYSECYOGL-NXEZZACHSA-N 0 3 248.273 0.213 20 0 BCADHN C[C@H]1C[C@@H](N2C(=O)CNC2=O)CCN1C ZINC000226050389 711830063 /nfs/dbraw/zinc/83/00/63/711830063.db2.gz SFZALKSRGWKWTP-YUMQZZPRSA-N 0 3 211.265 0.021 20 0 BCADHN COC[C@H](CN1CCOC[C@H]1CCO)C(C)C ZINC000721983644 711858058 /nfs/dbraw/zinc/85/80/58/711858058.db2.gz OIAJUBBPJLPICP-QWHCGFSZSA-N 0 3 245.363 0.988 20 0 BCADHN CC(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001038092207 711961477 /nfs/dbraw/zinc/96/14/77/711961477.db2.gz KOMUJNJJPHHNMW-NWDGAFQWSA-N 0 3 240.347 0.869 20 0 BCADHN CCC(=O)N(C)[C@H]1CCN(CCOC)C1 ZINC001032846017 711961909 /nfs/dbraw/zinc/96/19/09/711961909.db2.gz JVEBTLKXSAISCP-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CN(C(=O)C1CC1)[C@@H]1CCN(CCCO)C1 ZINC001032849219 711963251 /nfs/dbraw/zinc/96/32/51/711963251.db2.gz ROZZEENAFFJNQS-LLVKDONJSA-N 0 3 226.320 0.312 20 0 BCADHN CN(C(=O)CC1CC1)[C@H]1CCN(CCO)C1 ZINC001032873814 711965537 /nfs/dbraw/zinc/96/55/37/711965537.db2.gz XRPRXNOCKZEBEV-NSHDSACASA-N 0 3 226.320 0.312 20 0 BCADHN COCC[C@H](CO)NCc1cncc(OC)c1 ZINC000700017004 711982267 /nfs/dbraw/zinc/98/22/67/711982267.db2.gz KGMFULIJSSSKJF-LLVKDONJSA-N 0 3 240.303 0.577 20 0 BCADHN COC[C@@H](CNCc1cncc(OC)c1)OC ZINC000700019892 711982975 /nfs/dbraw/zinc/98/29/75/711982975.db2.gz YNXQOAFOLTUHQI-GFCCVEGCSA-N 0 3 240.303 0.841 20 0 BCADHN COc1cncc(CNCCC[S@](C)=O)c1 ZINC000700050152 711984979 /nfs/dbraw/zinc/98/49/79/711984979.db2.gz RYMRVOFIGYOWMZ-INIZCTEOSA-N 0 3 242.344 0.948 20 0 BCADHN COCC[C@@H](N)C(=O)NCC(C)(F)F ZINC000700073548 711985589 /nfs/dbraw/zinc/98/55/89/711985589.db2.gz AONPQKAZJIWSRQ-ZCFIWIBFSA-N 0 3 210.224 0.122 20 0 BCADHN COc1cncc(CNCC[S@](C)=O)c1 ZINC000700113228 711986281 /nfs/dbraw/zinc/98/62/81/711986281.db2.gz DBVZTGALBGKIII-HNNXBMFYSA-N 0 3 228.317 0.558 20 0 BCADHN COC[C@@]1(C(=O)N[C@@H]2C=CCC2)CCCCN1 ZINC000701425333 712022840 /nfs/dbraw/zinc/02/28/40/712022840.db2.gz ZKKDWAICSORALN-DGCLKSJQSA-N 0 3 238.331 0.980 20 0 BCADHN CC(=O)CCC(=O)NC1CC(N(C)C)C1 ZINC000701487942 712024117 /nfs/dbraw/zinc/02/41/17/712024117.db2.gz JKWMSPIKAOXFTD-UHFFFAOYSA-N 0 3 212.293 0.564 20 0 BCADHN OC[C@H]1CN(CCOC2CCCCC2)C[C@@H]1O ZINC000701332970 712020553 /nfs/dbraw/zinc/02/05/53/712020553.db2.gz USEYXXCZZXHAEQ-YPMHNXCESA-N 0 3 243.347 0.621 20 0 BCADHN O=C(N[C@H]1CCCCN(CCO)C1)C1CCC1 ZINC001034070989 712039104 /nfs/dbraw/zinc/03/91/04/712039104.db2.gz PEPOHWCBHQGJJA-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)[C@H]1C ZINC000702352826 712046610 /nfs/dbraw/zinc/04/66/10/712046610.db2.gz SZKDZRULQRMYRT-UTLUCORTSA-N 0 3 213.325 0.132 20 0 BCADHN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000702339104 712047908 /nfs/dbraw/zinc/04/79/08/712047908.db2.gz DZOAFCAYVIXTPL-WOPDTQHZSA-N 0 3 241.379 0.960 20 0 BCADHN C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H](N)CN(C)C ZINC000702340311 712047936 /nfs/dbraw/zinc/04/79/36/712047936.db2.gz JEGSCXHRSDYHQM-GRYCIOLGSA-N 0 3 241.379 0.912 20 0 BCADHN CC(C)C[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702399933 712049582 /nfs/dbraw/zinc/04/95/82/712049582.db2.gz CGRNXXHQIMOQHJ-ZJUUUORDSA-N 0 3 215.341 0.426 20 0 BCADHN CC(C)CC1(CNC(=O)[C@@H](N)CN(C)C)CC1 ZINC000702390572 712050049 /nfs/dbraw/zinc/05/00/49/712050049.db2.gz IFRHYMQAOYBRKY-NSHDSACASA-N 0 3 241.379 0.818 20 0 BCADHN Cc1cc(F)ccc1NC(=O)[C@@H](N)CN(C)C ZINC000702375347 712049066 /nfs/dbraw/zinc/04/90/66/712049066.db2.gz KEBKNXAWJBYRLR-JTQLQIEISA-N 0 3 239.294 0.962 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCCC1CC1 ZINC000702382586 712049536 /nfs/dbraw/zinc/04/95/36/712049536.db2.gz VXZGXBBVHXSXMG-JTQLQIEISA-N 0 3 213.325 0.182 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC[C@H]1CC1(F)F ZINC000702401741 712050805 /nfs/dbraw/zinc/05/08/05/712050805.db2.gz OLVHGGPFSYNFLA-YUMQZZPRSA-N 0 3 235.278 0.037 20 0 BCADHN CS[C@H]1CC[C@@H]1NCCS(C)(=O)=O ZINC000702407613 712050812 /nfs/dbraw/zinc/05/08/12/712050812.db2.gz TXVBYWHPAHCZBC-YUMQZZPRSA-N 0 3 223.363 0.515 20 0 BCADHN CCC(C)(C)[C@@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702402439 712050875 /nfs/dbraw/zinc/05/08/75/712050875.db2.gz SBOPZFZUZAUEKD-ZJUUUORDSA-N 0 3 229.368 0.816 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NCc1ncccn1 ZINC000704444755 712108300 /nfs/dbraw/zinc/10/83/00/712108300.db2.gz SGCZQGWDQFSVBV-SNVBAGLBSA-N 0 3 236.319 0.856 20 0 BCADHN COC[C@@H](C)OC(=O)N[C@H]1CCN(C)C1 ZINC000704504523 712111417 /nfs/dbraw/zinc/11/14/17/712111417.db2.gz KBHSDFAZHVHOHR-BDAKNGLRSA-N 0 3 216.281 0.452 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC[C@H]1CCSC1 ZINC000704893153 712121008 /nfs/dbraw/zinc/12/10/08/712121008.db2.gz OMTWNNGRKPAMNN-UWVGGRQHSA-N 0 3 245.392 0.135 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@H](N)CC2CC2)CCO1 ZINC000708957795 712204767 /nfs/dbraw/zinc/20/47/67/712204767.db2.gz ALPFIKPFMQYCGS-NEPJUHHUSA-N 0 3 240.347 0.997 20 0 BCADHN C[C@@H](N[C@@H]1CCN(C)C1)c1cn(C)cn1 ZINC000709993011 712237948 /nfs/dbraw/zinc/23/79/48/712237948.db2.gz SOMUASVYDDJQPF-NXEZZACHSA-N 0 3 208.309 0.775 20 0 BCADHN Cc1cnn(C)c1CN[C@H]1COC[C@@H]1C ZINC000710848239 712258521 /nfs/dbraw/zinc/25/85/21/712258521.db2.gz ZCZHPLOELLKWDF-UWVGGRQHSA-N 0 3 209.293 0.853 20 0 BCADHN COC1(OC)CC[C@@H]1NC[C@@H]1COCCO1 ZINC000710960050 712268590 /nfs/dbraw/zinc/26/85/90/712268590.db2.gz LZSJDKVELVOPHO-ZJUUUORDSA-N 0 3 231.292 0.143 20 0 BCADHN COCCOCCN[C@@H]1CCC1(OC)OC ZINC000710964755 712269495 /nfs/dbraw/zinc/26/94/95/712269495.db2.gz HDZULWSLVVQJMN-SNVBAGLBSA-N 0 3 233.308 0.391 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@H]1CO[C@H](C)C1 ZINC000710992113 712272805 /nfs/dbraw/zinc/27/28/05/712272805.db2.gz BEIWKMASIBDSGG-BBBLOLIVSA-N 0 3 215.293 0.905 20 0 BCADHN CC[C@@]1(NCCS(C)(=O)=O)CCOC1 ZINC000378833576 712363518 /nfs/dbraw/zinc/36/35/18/712363518.db2.gz LCPQFGWQGHSGNP-SECBINFHSA-N 0 3 221.322 0.190 20 0 BCADHN CN(C)CCONC(=O)c1cccc(C#N)c1 ZINC000379202649 712370791 /nfs/dbraw/zinc/37/07/91/712370791.db2.gz ZCISEWRFXHIPGJ-UHFFFAOYSA-N 0 3 233.271 0.781 20 0 BCADHN CCOC[C@H](O)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000715393638 712383680 /nfs/dbraw/zinc/38/36/80/712383680.db2.gz ZXUAWKYFAYTCQD-HLTSFMKQSA-N 0 3 221.247 0.581 20 0 BCADHN CCN1CC[C@@H]1CNCc1ccc(CO)o1 ZINC000712547445 712444253 /nfs/dbraw/zinc/44/42/53/712444253.db2.gz ILYHPHHPOAWNMJ-SNVBAGLBSA-N 0 3 224.304 0.956 20 0 BCADHN CCN1CC[C@@H]1CNCc1cc(C)n(C)n1 ZINC000712571728 712447370 /nfs/dbraw/zinc/44/73/70/712447370.db2.gz ZBUJYPAPLSFHCC-GFCCVEGCSA-N 0 3 222.336 0.912 20 0 BCADHN CCN1CC[C@H]1CNCc1cc(C)n(C)n1 ZINC000712571733 712447477 /nfs/dbraw/zinc/44/74/77/712447477.db2.gz ZBUJYPAPLSFHCC-LBPRGKRZSA-N 0 3 222.336 0.912 20 0 BCADHN CC1(C)CC[C@@H](CN2C[C@@H](O)[C@@H](O)C2)OC1 ZINC000713571155 712465650 /nfs/dbraw/zinc/46/56/50/712465650.db2.gz QMPZKERMRSOMDX-GARJFASQSA-N 0 3 229.320 0.229 20 0 BCADHN CC1(C)CCC[C@@H](CN2C[C@@H](O)[C@@H](O)C2)O1 ZINC000714337703 712482666 /nfs/dbraw/zinc/48/26/66/712482666.db2.gz HTATXKNLBMXISH-GARJFASQSA-N 0 3 229.320 0.372 20 0 BCADHN FC1(F)[C@H]2CN(C[C@H]3CNCCO3)C[C@H]21 ZINC000715461359 712519660 /nfs/dbraw/zinc/51/96/60/712519660.db2.gz RUHDLFWYWWDIJV-HLTSFMKQSA-N 0 3 218.247 0.172 20 0 BCADHN C[C@H](NCC[C@@H]1CCOC1)c1cn(C)nn1 ZINC000715874962 712538182 /nfs/dbraw/zinc/53/81/82/712538182.db2.gz BPKSOWQTYDGJRS-VHSXEESVSA-N 0 3 224.308 0.892 20 0 BCADHN COCC[C@@H](N)C(=O)NCC[C@H]1CCCS1 ZINC000715895013 712540804 /nfs/dbraw/zinc/54/08/04/712540804.db2.gz OTKYXKPZFAZOCY-NXEZZACHSA-N 0 3 246.376 0.752 20 0 BCADHN C[C@H](N)C(=O)NCC[C@H]1CCCS1 ZINC000716034797 712547657 /nfs/dbraw/zinc/54/76/57/712547657.db2.gz GHZOQNPAIOIXGM-JGVFFNPUSA-N 0 3 202.323 0.736 20 0 BCADHN CC1(C)[C@H](O)CCN1CC1OCCO1 ZINC000812865833 712587044 /nfs/dbraw/zinc/58/70/44/712587044.db2.gz TYWTTWHADKYJPM-MRVPVSSYSA-N 0 3 201.266 0.205 20 0 BCADHN N[C@H](CC1CC1)C(=O)Nc1ccncc1 ZINC000379937188 712633858 /nfs/dbraw/zinc/63/38/58/712633858.db2.gz XWBBITRKKVNCHJ-SNVBAGLBSA-N 0 3 205.261 0.569 20 0 BCADHN CC[C@@H](CO)C(=O)N1CCNC(C)(C)C1 ZINC000379955962 712636421 /nfs/dbraw/zinc/63/64/21/712636421.db2.gz VJUWGAOFMAQDDN-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN Cc1cc(F)ccc1CNC[C@@H](O)[C@@H](C)O ZINC000717308849 712646148 /nfs/dbraw/zinc/64/61/48/712646148.db2.gz QFXYTTPTRLDVSF-BXKDBHETSA-N 0 3 227.279 0.965 20 0 BCADHN CC(C)([NH3+])C[N-]S(=O)(=O)c1ccns1 ZINC000717726261 712667408 /nfs/dbraw/zinc/66/74/08/712667408.db2.gz WIIZWQTZSCKWFK-UHFFFAOYSA-N 0 3 235.334 0.159 20 0 BCADHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1ccns1 ZINC000717724536 712667489 /nfs/dbraw/zinc/66/74/89/712667489.db2.gz QNQPFOFISWPJMS-LURJTMIESA-N 0 3 235.334 0.159 20 0 BCADHN CC[C@@H]1CCN(CCS(N)(=O)=O)C1 ZINC000388867436 712670814 /nfs/dbraw/zinc/67/08/14/712670814.db2.gz GBTGBZLLUOWJTK-MRVPVSSYSA-N 0 3 206.311 0.007 20 0 BCADHN CC[C@@H](CO)NCC(=O)Nc1nccs1 ZINC000389880408 712691012 /nfs/dbraw/zinc/69/10/12/712691012.db2.gz NZYFZUMHBLUQQP-ZETCQYMHSA-N 0 3 229.305 0.442 20 0 BCADHN Cc1cc(N[C@H]2CCS[C@@H]2C)nc(N)n1 ZINC000380179346 712705961 /nfs/dbraw/zinc/70/59/61/712705961.db2.gz LJFADPNOPLQDRB-SFYZADRCSA-N 0 3 224.333 0.925 20 0 BCADHN COC[C@@H](NCC(=O)N(C)OC)C1CC1 ZINC000380179085 712706222 /nfs/dbraw/zinc/70/62/22/712706222.db2.gz LALWGDVWMVRXLS-SECBINFHSA-N 0 3 216.281 0.021 20 0 BCADHN COC[C@H]1CCCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000380207902 712725243 /nfs/dbraw/zinc/72/52/43/712725243.db2.gz SUEVSBAWWDVLEI-NWDGAFQWSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2C[C@H](C)NC[C@H]2C)C1 ZINC000718497916 712767123 /nfs/dbraw/zinc/76/71/23/712767123.db2.gz BXCWJJJOQHNHRP-MMWGEVLESA-N 0 3 226.320 0.620 20 0 BCADHN CN(C)C(=O)CNC[C@@H](O)c1ccc(F)cc1 ZINC000037886582 712780926 /nfs/dbraw/zinc/78/09/26/712780926.db2.gz PZBKRRHKQURMRO-LLVKDONJSA-N 0 3 240.278 0.537 20 0 BCADHN CC1CC(CNC(=O)c2c(CN)cnn2C)C1 ZINC000719192444 712799656 /nfs/dbraw/zinc/79/96/56/712799656.db2.gz OBFVKFSYSPRPFE-UHFFFAOYSA-N 0 3 236.319 0.655 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000719342215 712804411 /nfs/dbraw/zinc/80/44/11/712804411.db2.gz VKRBRIKPBFRZOG-WPRPVWTQSA-N 0 3 222.292 0.541 20 0 BCADHN CCCNC(=S)N[C@H]1CCN(C)[C@@H]1C ZINC000719368226 712805931 /nfs/dbraw/zinc/80/59/31/712805931.db2.gz VFXLPRCTFABKFC-BDAKNGLRSA-N 0 3 215.366 0.953 20 0 BCADHN CCNC(=S)N[C@H]1CCN(C)[C@@H]1C ZINC000719367726 712806354 /nfs/dbraw/zinc/80/63/54/712806354.db2.gz SNUIZXGUWIJITD-SFYZADRCSA-N 0 3 201.339 0.563 20 0 BCADHN CCn1cc(CN[C@H]2CCN(C)[C@H]2C)nn1 ZINC000719573025 712812084 /nfs/dbraw/zinc/81/20/84/712812084.db2.gz WHUNVRBCEDSRLD-ONGXEEELSA-N 0 3 223.324 0.480 20 0 BCADHN C[C@@H]1[C@H](NCc2cn(C)cn2)CCN1C ZINC000719623623 712814260 /nfs/dbraw/zinc/81/42/60/712814260.db2.gz NBILTMCBEUQWEY-MWLCHTKSSA-N 0 3 208.309 0.602 20 0 BCADHN CC(C)(O)[C@@H]1CCCN([C@H]2CCNC2=O)C1 ZINC000719663363 712818201 /nfs/dbraw/zinc/81/82/01/712818201.db2.gz WOFGKQHFULNKDV-ZJUUUORDSA-N 0 3 226.320 0.358 20 0 BCADHN CN(C)C(=O)CN1CCC[C@@H](C(C)(C)O)C1 ZINC000719700397 712821792 /nfs/dbraw/zinc/82/17/92/712821792.db2.gz HJNITEBZLVRHLV-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN O=C(NC[C@@H]1CCN1CC1CC1)C1CC1 ZINC001037995135 712897590 /nfs/dbraw/zinc/89/75/90/712897590.db2.gz WSOZNRMKRPCPGL-NSHDSACASA-N 0 3 208.305 0.997 20 0 BCADHN Cc1nnsc1CNCCc1ccnn1C ZINC000381288557 710616220 /nfs/dbraw/zinc/61/62/20/710616220.db2.gz AWESHVFZFGSCJQ-UHFFFAOYSA-N 0 3 237.332 0.912 20 0 BCADHN CCCS(=O)(=O)CCN[C@@]1(CC)CCOC1 ZINC000381488528 710644867 /nfs/dbraw/zinc/64/48/67/710644867.db2.gz WIEJPMBJGFDAEQ-NSHDSACASA-N 0 3 249.376 0.970 20 0 BCADHN C[C@H](NCCN1CCCC1)c1ncn(C)n1 ZINC000381701075 710676893 /nfs/dbraw/zinc/67/68/93/710676893.db2.gz IKJRCNSOPJAETC-JTQLQIEISA-N 0 3 223.324 0.562 20 0 BCADHN O=C(NC[C@H]1CCN1CC1CC1)c1ncc[nH]1 ZINC001038231577 710680326 /nfs/dbraw/zinc/68/03/26/710680326.db2.gz NMTZSPBEEMCGHQ-SNVBAGLBSA-N 0 3 234.303 0.624 20 0 BCADHN CC(C)N1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001038843149 710709491 /nfs/dbraw/zinc/70/94/91/710709491.db2.gz YSCOVRMEEYKHDA-MRVPVSSYSA-N 0 3 223.280 0.017 20 0 BCADHN C[C@H](NCCO[C@@H]1CCOC1)c1cnn(C)c1 ZINC000724927344 710750362 /nfs/dbraw/zinc/75/03/62/710750362.db2.gz YISWSXZJKYERHF-CMPLNLGQSA-N 0 3 239.319 0.876 20 0 BCADHN CCCN1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001042538736 710791739 /nfs/dbraw/zinc/79/17/39/710791739.db2.gz QTUSEPKXFOVMHH-GFCCVEGCSA-N 0 3 239.363 0.633 20 0 BCADHN CCN1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001042547362 710792132 /nfs/dbraw/zinc/79/21/32/710792132.db2.gz NVNPKPKCHTYJQG-NSHDSACASA-N 0 3 225.336 0.243 20 0 BCADHN CSCC[C@@H](N)C(=O)NC(C)(C)C ZINC000146093375 710799161 /nfs/dbraw/zinc/79/91/61/710799161.db2.gz UQUCLEQUTKSEKO-SSDOTTSWSA-N 0 3 204.339 0.982 20 0 BCADHN CCN1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001043876259 710814704 /nfs/dbraw/zinc/81/47/04/710814704.db2.gz PAQIVHGLUDGUHA-LLVKDONJSA-N 0 3 239.363 0.491 20 0 BCADHN CCN1CC(N(C)C(=O)CN2CCC[C@@H]2C)C1 ZINC001043876298 710815237 /nfs/dbraw/zinc/81/52/37/710815237.db2.gz PGNCZGURQHDRJM-NSHDSACASA-N 0 3 239.363 0.633 20 0 BCADHN CC(=O)N[C@@]1(C)CCN(CCn2cccn2)C1 ZINC001046089058 710845449 /nfs/dbraw/zinc/84/54/49/710845449.db2.gz YFYWXYZZNRVCHM-LBPRGKRZSA-N 0 3 236.319 0.484 20 0 BCADHN C[C@]1(NC(=O)c2cccnc2)CCN(CCO)C1 ZINC001046098964 710848933 /nfs/dbraw/zinc/84/89/33/710848933.db2.gz BZWWKYQWNSTREB-ZDUSSCGKSA-N 0 3 249.314 0.268 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cnc(C)cn2)C1 ZINC001046118176 710850514 /nfs/dbraw/zinc/85/05/14/710850514.db2.gz YMTSTMJHOQGCNF-ZDUSSCGKSA-N 0 3 248.330 0.999 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cc(C)n[nH]2)C1 ZINC001046172635 710852905 /nfs/dbraw/zinc/85/29/05/710852905.db2.gz DWRVNPNVJBZJNY-LBPRGKRZSA-N 0 3 236.319 0.932 20 0 BCADHN C[C@@]1(NC(=O)C2CC=CC2)CCN(CCO)C1 ZINC001046205766 710855221 /nfs/dbraw/zinc/85/52/21/710855221.db2.gz CXQCKTLRVYSGSD-CYBMUJFWSA-N 0 3 238.331 0.526 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cnnn2C)C1 ZINC001046288002 710858801 /nfs/dbraw/zinc/85/88/01/710858801.db2.gz MGLJICIKWLOMQW-LLVKDONJSA-N 0 3 237.307 0.029 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2ccc(C)nn2)C1 ZINC001046309965 710859413 /nfs/dbraw/zinc/85/94/13/710859413.db2.gz SLYOXWWEUCBQNT-CYBMUJFWSA-N 0 3 248.330 0.999 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2c[nH]nc2C)C1 ZINC001046532806 710860836 /nfs/dbraw/zinc/86/08/36/710860836.db2.gz WDILVKHFHLDAJO-GFCCVEGCSA-N 0 3 236.319 0.932 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(CCO)C1 ZINC001046541122 710861995 /nfs/dbraw/zinc/86/19/95/710861995.db2.gz LZKJZIRYMGBJMF-CKYFFXLPSA-N 0 3 226.320 0.215 20 0 BCADHN CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CCF)C2 ZINC001047005103 710867504 /nfs/dbraw/zinc/86/75/04/710867504.db2.gz XKNSGZYHSIJNQW-AXFHLTTASA-N 0 3 214.284 0.945 20 0 BCADHN CC(C)C(=O)N[C@H]1CC[C@H](C)N(CCO)C1 ZINC001071349848 710869029 /nfs/dbraw/zinc/86/90/29/710869029.db2.gz MIJUTAUFBVNETG-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)CC2CC2)C1 ZINC001047276176 710870710 /nfs/dbraw/zinc/87/07/10/710870710.db2.gz LPADKGQTVOBWDZ-RYUDHWBXSA-N 0 3 240.347 0.698 20 0 BCADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001047489622 710872206 /nfs/dbraw/zinc/87/22/06/710872206.db2.gz WQGKOUCTEXPWOY-BJDJZHNGSA-N 0 3 240.347 0.554 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000384595645 710923197 /nfs/dbraw/zinc/92/31/97/710923197.db2.gz NAKGFCGRHCCKEK-IVZWLZJFSA-N 0 3 235.349 0.577 20 0 BCADHN CC(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001054303934 710926915 /nfs/dbraw/zinc/92/69/15/710926915.db2.gz UDCUAAUSFDWLIE-OIBJUYFYSA-N 0 3 237.307 0.070 20 0 BCADHN C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1NCCF ZINC001054438254 710934844 /nfs/dbraw/zinc/93/48/44/710934844.db2.gz NACUIXWADBZEGL-PSASIEDQSA-N 0 3 240.282 0.429 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1NCCF ZINC001054447089 710934875 /nfs/dbraw/zinc/93/48/75/710934875.db2.gz WKPXFLABWIOIQL-SCZZXKLOSA-N 0 3 241.266 0.694 20 0 BCADHN C[C@@H]1CN(C(=O)c2cnco2)C[C@H]1NCCF ZINC001054946938 710942618 /nfs/dbraw/zinc/94/26/18/710942618.db2.gz TXTREMVGPYWVMT-RKDXNWHRSA-N 0 3 241.266 0.694 20 0 BCADHN CNC(=O)C(C)(C)CNC(=O)[C@H](N)CC1CC1 ZINC000383431688 710981600 /nfs/dbraw/zinc/98/16/00/710981600.db2.gz BYRLGYIHUHQYQA-SECBINFHSA-N 0 3 241.335 0.002 20 0 BCADHN C[C@@H](C[C@@H]1CCC(=O)N1)NCc1cc[nH]n1 ZINC000380675884 712902386 /nfs/dbraw/zinc/90/23/86/712902386.db2.gz DHILZBBCAIMZKJ-IUCAKERBSA-N 0 3 222.292 0.557 20 0 BCADHN COCC[C@@H](N)C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000385423301 711013631 /nfs/dbraw/zinc/01/36/31/711013631.db2.gz BAFQHZGSTOMKQB-VHSXEESVSA-N 0 3 228.336 0.997 20 0 BCADHN CCCN(CC(F)F)C(=O)[C@H](N)CCOC ZINC000386402861 711029214 /nfs/dbraw/zinc/02/92/14/711029214.db2.gz LWZPFAKOHBQMBI-MRVPVSSYSA-N 0 3 238.278 0.854 20 0 BCADHN CCn1cc(CN2C[C@@H](C)[C@H](O)C2)cn1 ZINC000387857724 711047856 /nfs/dbraw/zinc/04/78/56/711047856.db2.gz KTSIDWNPZKZEKD-MWLCHTKSSA-N 0 3 209.293 0.716 20 0 BCADHN CC1(C)CN(c2ccnc(CO)c2)C[C@H]1O ZINC000388072685 711051882 /nfs/dbraw/zinc/05/18/82/711051882.db2.gz QVLYXMQAUAGIDZ-LLVKDONJSA-N 0 3 222.288 0.781 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC000389974011 711102504 /nfs/dbraw/zinc/10/25/04/711102504.db2.gz IHCSOOYVFFHLKC-SNVBAGLBSA-N 0 3 236.319 0.851 20 0 BCADHN CC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001069884338 711075771 /nfs/dbraw/zinc/07/57/71/711075771.db2.gz FSVRHXNQOYFTED-NEPJUHHUSA-N 0 3 249.318 0.050 20 0 BCADHN CCCN1CC[C@H](NC(=O)C(F)F)C1 ZINC000389424724 711078476 /nfs/dbraw/zinc/07/84/76/711078476.db2.gz WLOVTHNEKZJYLR-ZETCQYMHSA-N 0 3 206.236 0.852 20 0 BCADHN CO[C@H](C)[C@H](C)Nc1cc(C)nc(N)n1 ZINC000389598679 711082619 /nfs/dbraw/zinc/08/26/19/711082619.db2.gz RWWSKIWECWESOF-JGVFFNPUSA-N 0 3 210.281 0.455 20 0 BCADHN Cc1cc(NC2CC(F)(F)C2)nc(N)n1 ZINC000389747862 711089638 /nfs/dbraw/zinc/08/96/38/711089638.db2.gz YBDQDXYJNBVFIJ-UHFFFAOYSA-N 0 3 214.219 0.829 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)C1 ZINC000390028546 711104798 /nfs/dbraw/zinc/10/47/98/711104798.db2.gz YGCDWBKPKMYJCG-LLVKDONJSA-N 0 3 249.314 0.209 20 0 BCADHN Cc1cc(N[C@H](CO)CC(F)F)nc(N)n1 ZINC000390380565 711115462 /nfs/dbraw/zinc/11/54/62/711115462.db2.gz ZHSORYPGNSLORB-LURJTMIESA-N 0 3 232.234 0.047 20 0 BCADHN Cc1c[nH]nc1CNCCC1(C)OCCO1 ZINC000390549148 711124074 /nfs/dbraw/zinc/12/40/74/711124074.db2.gz NWZGDIQKVCUKGS-UHFFFAOYSA-N 0 3 225.292 0.961 20 0 BCADHN COC(OC)[C@H](C)NCc1cc[nH]c(=O)c1 ZINC000392889701 711152964 /nfs/dbraw/zinc/15/29/64/711152964.db2.gz JAGCDXGFNMEIFZ-QMMMGPOBSA-N 0 3 226.276 0.884 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@H]1CCOC1(C)C ZINC000392895251 711153107 /nfs/dbraw/zinc/15/31/07/711153107.db2.gz CJVDJCASUAWYFH-JTQLQIEISA-N 0 3 249.376 0.967 20 0 BCADHN O=c1cc(CN[C@@H](CO)C2CC2)occ1O ZINC000393777263 711173537 /nfs/dbraw/zinc/17/35/37/711173537.db2.gz YWLVRTNEHKXFTE-VIFPVBQESA-N 0 3 225.244 0.206 20 0 BCADHN CCCN1CC[C@H](NCCS(C)(=O)=O)C1 ZINC000393942141 711179398 /nfs/dbraw/zinc/17/93/98/711179398.db2.gz ZNDDWRLBUSUWNY-JTQLQIEISA-N 0 3 234.365 0.105 20 0 BCADHN Cc1cc(N[C@@H]2COC(C)(C)C2)nc(N)n1 ZINC000396493506 711223008 /nfs/dbraw/zinc/22/30/08/711223008.db2.gz MJSBKELOWZBKGU-QMMMGPOBSA-N 0 3 222.292 0.599 20 0 BCADHN C[C@@H](O)CCCN1CCC2(C1)OCCO2 ZINC000396558848 711355726 /nfs/dbraw/zinc/35/57/26/711355726.db2.gz RWTHYSIAGPMSNC-SNVBAGLBSA-N 0 3 215.293 0.596 20 0 BCADHN Cc1cc(N[C@H](C)c2csnn2)nc(N)n1 ZINC000398304014 711406729 /nfs/dbraw/zinc/40/67/29/711406729.db2.gz OGGZTAXRTNGWTK-ZCFIWIBFSA-N 0 3 236.304 0.644 20 0 BCADHN Cc1cc(N2C[C@H](C)C[C@@H](CO)C2)nc(N)n1 ZINC000398816681 711415655 /nfs/dbraw/zinc/41/56/55/711415655.db2.gz ZVAHVGSCMCOIMG-PSASIEDQSA-N 0 3 236.319 0.652 20 0 BCADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000399019531 711418947 /nfs/dbraw/zinc/41/89/47/711418947.db2.gz GWDJHKBPXUDFGI-APPZFPTMSA-N 0 3 228.292 0.182 20 0 BCADHN N[C@H](C(=O)NCc1ccon1)C1CCC1 ZINC000399033536 711419168 /nfs/dbraw/zinc/41/91/68/711419168.db2.gz MUGRXLLAXFFEBB-VIFPVBQESA-N 0 3 209.249 0.418 20 0 BCADHN COc1cc(CN[C@@H]2CCN(C)C2)sn1 ZINC000399082496 711420763 /nfs/dbraw/zinc/42/07/63/711420763.db2.gz SWRUDNSROPOHGG-MRVPVSSYSA-N 0 3 227.333 0.945 20 0 BCADHN CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(CCCO)C1 ZINC001010651537 710592901 /nfs/dbraw/zinc/59/29/01/710592901.db2.gz QHKYGUBSHBMTTD-WDEREUQCSA-N 0 3 240.347 0.605 20 0 BCADHN CO[C@@H](CNC(=O)[C@H](N)CC1CC1)C(C)C ZINC000381131474 710604365 /nfs/dbraw/zinc/60/43/65/710604365.db2.gz HHVWCEDMISJUJI-MNOVXSKESA-N 0 3 228.336 0.901 20 0 BCADHN Cc1nc(C)c(CNC[C@H]2COCCN2)s1 ZINC000381154916 710604975 /nfs/dbraw/zinc/60/49/75/710604975.db2.gz PVSNUNGUGWJXNP-JTQLQIEISA-N 0 3 241.360 0.838 20 0 BCADHN CCN1CC[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC001014816582 710612674 /nfs/dbraw/zinc/61/26/74/710612674.db2.gz PRPBXIHSHBFASS-JTQLQIEISA-N 0 3 236.319 0.553 20 0 BCADHN CCN(CC)C(=O)CNCC1=CCCOC1 ZINC000381364161 710628078 /nfs/dbraw/zinc/62/80/78/710628078.db2.gz GJOVQXWBNPDGKN-UHFFFAOYSA-N 0 3 226.320 0.791 20 0 BCADHN CC(C)N1CC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038604742 710697302 /nfs/dbraw/zinc/69/73/02/710697302.db2.gz WWSKNERSRKMPON-NNYUYHANSA-N 0 3 238.331 0.478 20 0 BCADHN CN(C)CCONC(=O)[C@@H]1CCSC1 ZINC000393944299 710829791 /nfs/dbraw/zinc/82/97/91/710829791.db2.gz KSUBZLCGAVYQRA-MRVPVSSYSA-N 0 3 218.322 0.349 20 0 BCADHN C[C@@H]1CC[C@H](NC(=O)C2CC2)CN1CCCO ZINC001071296544 710843114 /nfs/dbraw/zinc/84/31/14/710843114.db2.gz MBTPFZMPOOTMIP-PWSUYJOCSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@]1(NC(=O)[C@H]2CC23CC3)CCN(CCO)C1 ZINC001046654923 710862884 /nfs/dbraw/zinc/86/28/84/710862884.db2.gz HBTIXBWGLULCHB-PWSUYJOCSA-N 0 3 238.331 0.359 20 0 BCADHN CC[C@H](O)CCCNC(=O)[C@@H](N)CC1CC1 ZINC000398579677 710910407 /nfs/dbraw/zinc/91/04/07/710910407.db2.gz SPAORTNYZUIBRL-QWRGUYRKSA-N 0 3 228.336 0.781 20 0 BCADHN CCOC(=O)/C=C\CN(C)CCCCO ZINC000385016123 711002338 /nfs/dbraw/zinc/00/23/38/711002338.db2.gz SITGBPGVFSTNAG-SREVYHEPSA-N 0 3 215.293 0.810 20 0 BCADHN C[N@@H+]1CC[C@H](C(=O)[N-]OC2CCCC2)C1 ZINC000386460834 711029729 /nfs/dbraw/zinc/02/97/29/711029729.db2.gz SHIFTPMNMACYQW-VIFPVBQESA-N 0 3 212.293 0.929 20 0 BCADHN C[N@H+]1CC[C@H](C(=O)[N-]OC2CCCC2)C1 ZINC000386460834 711029732 /nfs/dbraw/zinc/02/97/32/711029732.db2.gz SHIFTPMNMACYQW-VIFPVBQESA-N 0 3 212.293 0.929 20 0 BCADHN C[C@@H]1C[C@H](NCc2cnn(C)n2)CN1C1CC1 ZINC000389820222 711090899 /nfs/dbraw/zinc/09/08/99/711090899.db2.gz CKHVBQGUWHTFDS-ZJUUUORDSA-N 0 3 235.335 0.530 20 0 BCADHN CCN1CC[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC000389974009 711102286 /nfs/dbraw/zinc/10/22/86/711102286.db2.gz IHCSOOYVFFHLKC-JTQLQIEISA-N 0 3 236.319 0.851 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@@H]1COC(C)(C)C1 ZINC000396789734 711370465 /nfs/dbraw/zinc/37/04/65/711370465.db2.gz QOKAVLURHCSEOW-JTQLQIEISA-N 0 3 249.376 0.967 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1CCc2n[nH]cc2C1 ZINC000396875003 711371797 /nfs/dbraw/zinc/37/17/97/711371797.db2.gz ZOWNQGHXXVIQBW-SNVBAGLBSA-N 0 3 234.303 0.422 20 0 BCADHN COCC[C@H](N)C(=O)NCCSC(C)(C)C ZINC000397215232 711379296 /nfs/dbraw/zinc/37/92/96/711379296.db2.gz DJFUUUIZVAZHBD-VIFPVBQESA-N 0 3 248.392 0.998 20 0 BCADHN CON(C)C(=O)CN[C@H]1COCC1(C)C ZINC000397548799 711386444 /nfs/dbraw/zinc/38/64/44/711386444.db2.gz RFGFFLGNCYLCGE-QMMMGPOBSA-N 0 3 216.281 0.021 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)CCC(C)(C)C ZINC000399771507 711435347 /nfs/dbraw/zinc/43/53/47/711435347.db2.gz GBGZDQHSKXYBMV-VIFPVBQESA-N 0 3 216.325 0.855 20 0 BCADHN CN(C[C@H]1CCC2(CCC2)O1)[C@@H]1COC[C@H]1O ZINC000712525652 711449491 /nfs/dbraw/zinc/44/94/91/711449491.db2.gz UWKJADLECKQVJE-IJLUTSLNSA-N 0 3 241.331 0.780 20 0 BCADHN C[C@H](NCCn1cnnn1)c1cccnc1 ZINC000712563548 711473129 /nfs/dbraw/zinc/47/31/29/711473129.db2.gz LWMAIVIZOVGPSD-VIFPVBQESA-N 0 3 218.264 0.419 20 0 BCADHN C[C@@H]1C[C@H](NCc2cnc3n2CCOC3)CO1 ZINC000722827580 711475915 /nfs/dbraw/zinc/47/59/15/711475915.db2.gz PRKZXGWCJFPHIJ-ZJUUUORDSA-N 0 3 237.303 0.680 20 0 BCADHN CN(C)c1cc(N2CCCN(C)CC2)ncn1 ZINC000891438725 711520415 /nfs/dbraw/zinc/52/04/15/711520415.db2.gz SFVOPDCMXYDSCJ-UHFFFAOYSA-N 0 3 235.335 0.685 20 0 BCADHN CC(C)N(Cc1ccoc1)C[C@H](O)CO ZINC000723763792 711537091 /nfs/dbraw/zinc/53/70/91/711537091.db2.gz YXPFDYQSVHPPJK-NSHDSACASA-N 0 3 213.277 0.843 20 0 BCADHN CC[C@H](NCc1nnnn1C)[C@@H]1CCCOC1 ZINC000724000890 711553533 /nfs/dbraw/zinc/55/35/33/711553533.db2.gz FZUJBYZJXDPPMC-ZJUUUORDSA-N 0 3 239.323 0.505 20 0 BCADHN Cn1ncc(CCCNCc2nccs2)n1 ZINC000382380490 711560058 /nfs/dbraw/zinc/56/00/58/711560058.db2.gz JHHCSIAOGVFUJP-UHFFFAOYSA-N 0 3 237.332 0.994 20 0 BCADHN NC(=O)[C@]1(O)CCN(Cc2ccsc2)C1 ZINC000309061045 711585807 /nfs/dbraw/zinc/58/58/07/711585807.db2.gz VWLBIYXCDLBBRV-JTQLQIEISA-N 0 3 226.301 0.170 20 0 BCADHN C[C@H](O)[C@@H](O)CN[C@@H](C)c1cncc(F)c1 ZINC000717345264 711596041 /nfs/dbraw/zinc/59/60/41/711596041.db2.gz ZOJNOMQWHVPANH-LAEOZQHASA-N 0 3 228.267 0.613 20 0 BCADHN Cc1nocc1CNC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724658055 711606254 /nfs/dbraw/zinc/60/62/54/711606254.db2.gz WRPZVQCYNKFTPG-USWWRNFRSA-N 0 3 238.287 0.877 20 0 BCADHN CO[C@@H]1CCOC[C@H]1NCc1[nH]c(C)nc1C ZINC000724771665 711611089 /nfs/dbraw/zinc/61/10/89/711611089.db2.gz RKVMDXFDSGKOEY-VXGBXAGGSA-N 0 3 239.319 0.920 20 0 BCADHN CCNC(=O)C(C)(C)NCCO[C@H]1CCOC1 ZINC000724924147 711629298 /nfs/dbraw/zinc/62/92/98/711629298.db2.gz OVBVDXQSUDVIND-JTQLQIEISA-N 0 3 244.335 0.296 20 0 BCADHN Cc1nn(C)cc1CNCCO[C@@H]1CCOC1 ZINC000724927071 711629972 /nfs/dbraw/zinc/62/99/72/711629972.db2.gz WOKHYHQIZUDXNR-GFCCVEGCSA-N 0 3 239.319 0.624 20 0 BCADHN CCn1cc(CN[C@H]2CC23CC(O)C3)cn1 ZINC000724950531 711633248 /nfs/dbraw/zinc/63/32/48/711633248.db2.gz BNVWUZWENARJNT-CXQJBGSLSA-N 0 3 221.304 0.906 20 0 BCADHN CC1(C)CN(CCO[C@H]2CCOC2)CC[C@@H]1O ZINC000724985108 711640316 /nfs/dbraw/zinc/64/03/16/711640316.db2.gz KYWLJLQTDYIALL-RYUDHWBXSA-N 0 3 243.347 0.885 20 0 BCADHN CC1(C)CN(CCO[C@@H]2CCOC2)CC[C@H]1O ZINC000724985109 711640641 /nfs/dbraw/zinc/64/06/41/711640641.db2.gz KYWLJLQTDYIALL-VXGBXAGGSA-N 0 3 243.347 0.885 20 0 BCADHN CC1(C)CN(CCO[C@H]2CCOC2)CC[C@H]1O ZINC000724985107 711640806 /nfs/dbraw/zinc/64/08/06/711640806.db2.gz KYWLJLQTDYIALL-NWDGAFQWSA-N 0 3 243.347 0.885 20 0 BCADHN CCN1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001075470896 711643236 /nfs/dbraw/zinc/64/32/36/711643236.db2.gz KNPDQDFGQRIXES-JGVFFNPUSA-N 0 3 218.247 0.804 20 0 BCADHN Cn1cc(CN[C@@H](CCO)C2CCCC2)nn1 ZINC000725085161 711650225 /nfs/dbraw/zinc/65/02/25/711650225.db2.gz HXJXZVPAVIWTCP-LBPRGKRZSA-N 0 3 238.335 0.846 20 0 BCADHN CCCC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075492254 711665413 /nfs/dbraw/zinc/66/54/13/711665413.db2.gz JLEYDPXXYFVWKL-WDEREUQCSA-N 0 3 226.320 0.312 20 0 BCADHN CCn1ncnc1CN[C@H]1CCN(C)[C@@H]1C ZINC000719637627 711672936 /nfs/dbraw/zinc/67/29/36/711672936.db2.gz SIARHZBKWTUAKJ-ZJUUUORDSA-N 0 3 223.324 0.480 20 0 BCADHN CCN(CC)C(=O)CNC(C)(C)CC(=O)OC ZINC000178327398 711691003 /nfs/dbraw/zinc/69/10/03/711691003.db2.gz FUYQWFFVZOKVLS-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN COCCN1C[C@@H]2CCN(C(=O)C(C)C)[C@@H]2C1 ZINC001075554910 711709981 /nfs/dbraw/zinc/70/99/81/711709981.db2.gz YXDGLRRTXZRUJL-NWDGAFQWSA-N 0 3 240.347 0.822 20 0 BCADHN CCOC(=O)/C=C/CN(C)[C@H](C)CO ZINC000124352762 711711574 /nfs/dbraw/zinc/71/15/74/711711574.db2.gz JLRAPMXWBGQDHH-VUHVRTRXSA-N 0 3 201.266 0.418 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)COC(C)(C)C)[C@@H]2C1 ZINC000644821830 711732541 /nfs/dbraw/zinc/73/25/41/711732541.db2.gz HKGUZNGTLBGWKV-WDEREUQCSA-N 0 3 240.347 0.964 20 0 BCADHN CC1(C)C[C@@H]1C(=O)NC[C@@H]1CCCN1CCO ZINC001027827033 711736914 /nfs/dbraw/zinc/73/69/14/711736914.db2.gz VNLCZANGYRXRBL-WDEREUQCSA-N 0 3 240.347 0.605 20 0 BCADHN Cn1cnc(C(=O)NC[C@@H]2CCN2CC2CC2)c1 ZINC001038163434 711761332 /nfs/dbraw/zinc/76/13/32/711761332.db2.gz IBDLRXRNNHFFSJ-NSHDSACASA-N 0 3 248.330 0.634 20 0 BCADHN C[C@@H](Cc1cnn(C)c1)Nc1ccncc1CO ZINC000894099479 711763316 /nfs/dbraw/zinc/76/33/16/711763316.db2.gz SAMPQFNYKXFCEO-JTQLQIEISA-N 0 3 246.314 0.772 20 0 BCADHN C[C@@H]1CN(c2ccncc2CO)CC[C@H]1O ZINC000253182414 711764404 /nfs/dbraw/zinc/76/44/04/711764404.db2.gz JBGPEHCOPOMYPX-BXKDBHETSA-N 0 3 222.288 0.781 20 0 BCADHN CN(CCO)CCNC(=O)/C=C\c1ccccc1 ZINC000925018528 711768590 /nfs/dbraw/zinc/76/85/90/711768590.db2.gz YTAAXXAECKBQLG-FPLPWBNLSA-N 0 3 248.326 0.740 20 0 BCADHN CC(=O)OC(C)(C)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928438065 711772465 /nfs/dbraw/zinc/77/24/65/711772465.db2.gz MCRYZCBCBFEXLH-WPRPVWTQSA-N 0 3 242.319 0.537 20 0 BCADHN CCc1ncncc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928450893 711773048 /nfs/dbraw/zinc/77/30/48/711773048.db2.gz FEUXFNYEAVQGCE-BXKDBHETSA-N 0 3 248.330 0.861 20 0 BCADHN CCn1nccc1CNC[C@H]1COCO1 ZINC000894876025 711774151 /nfs/dbraw/zinc/77/41/51/711774151.db2.gz KFNDYTZSXXJIPF-JTQLQIEISA-N 0 3 211.265 0.366 20 0 BCADHN CC(C)N(C)CC(=O)N1CCO[C@H](C)CC1 ZINC000928532498 711776776 /nfs/dbraw/zinc/77/67/76/711776776.db2.gz JTPBTYOLYFSVTQ-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@H](C(C)(C)O)C1 ZINC000721830534 711778085 /nfs/dbraw/zinc/77/80/85/711778085.db2.gz CLVOSMUGPYJDTO-ZJUUUORDSA-N 0 3 240.347 0.746 20 0 BCADHN Cn1ccc(CNCC[S@](C)=O)c1 ZINC000160684986 711809350 /nfs/dbraw/zinc/80/93/50/711809350.db2.gz BEJVBFLHZPRHIZ-CYBMUJFWSA-N 0 3 200.307 0.493 20 0 BCADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)C=C2CCC2)C1 ZINC001076865907 711809460 /nfs/dbraw/zinc/80/94/60/711809460.db2.gz BCCXEBPTHZVSAC-VXGBXAGGSA-N 0 3 238.331 0.666 20 0 BCADHN CCc1nn(C)cc1CNCCC[S@](C)=O ZINC000161395772 711811727 /nfs/dbraw/zinc/81/17/27/711811727.db2.gz WAPPNKNHVQFQFK-MRXNPFEDSA-N 0 3 243.376 0.841 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@@H](O)CC(C)C ZINC000161462285 711811872 /nfs/dbraw/zinc/81/18/72/711811872.db2.gz MDXMMCTYICQTNP-UWVGGRQHSA-N 0 3 248.392 0.590 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1C[C@@H](O)C1(C)C)N(C)C ZINC000907535787 711815806 /nfs/dbraw/zinc/81/58/06/711815806.db2.gz WFJUXJIDMYXJCK-IVZWLZJFSA-N 0 3 228.336 0.602 20 0 BCADHN CN(C)CCN(C)C(=O)C(F)(F)C(F)F ZINC000228045183 711833448 /nfs/dbraw/zinc/83/34/48/711833448.db2.gz VHPZNYURDWAREB-UHFFFAOYSA-N 0 3 230.205 0.907 20 0 BCADHN Cc1cc(N2CC[C@@H]([C@H](C)O)C2)nc(N)n1 ZINC000228191672 711834060 /nfs/dbraw/zinc/83/40/60/711834060.db2.gz RSMBSQGVONAMJE-DTWKUNHWSA-N 0 3 222.292 0.574 20 0 BCADHN O=C(CNC1CC1)Nc1ccc(F)nc1 ZINC000229078591 711837445 /nfs/dbraw/zinc/83/74/45/711837445.db2.gz XRHRKEGKQLTYGY-UHFFFAOYSA-N 0 3 209.224 0.911 20 0 BCADHN CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001077515781 711846228 /nfs/dbraw/zinc/84/62/28/711846228.db2.gz MTIDDSSONODFAE-DDHJBXDOSA-N 0 3 240.347 0.604 20 0 BCADHN CCN1CC(CNC(=O)c2cn(CC)cn2)C1 ZINC001032133019 711904408 /nfs/dbraw/zinc/90/44/08/711904408.db2.gz TXYQCTHDPWQTPQ-UHFFFAOYSA-N 0 3 236.319 0.585 20 0 BCADHN COCC[C@@H](C)N1CCN(CC(=O)OC)CC1 ZINC000355278207 711914468 /nfs/dbraw/zinc/91/44/68/711914468.db2.gz QNHFOWMZCIXGPD-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)O ZINC001032380558 711915401 /nfs/dbraw/zinc/91/54/01/711915401.db2.gz PNBDKHNYSAJFPP-QWRGUYRKSA-N 0 3 240.347 0.843 20 0 BCADHN CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]cn1 ZINC001032437917 711918955 /nfs/dbraw/zinc/91/89/55/711918955.db2.gz WTTQCHYEUNVVKK-RYUDHWBXSA-N 0 3 248.330 0.647 20 0 BCADHN CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnc[nH]1 ZINC001032437917 711918958 /nfs/dbraw/zinc/91/89/58/711918958.db2.gz WTTQCHYEUNVVKK-RYUDHWBXSA-N 0 3 248.330 0.647 20 0 BCADHN CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnc[nH]1 ZINC001032650938 711931702 /nfs/dbraw/zinc/93/17/02/711931702.db2.gz AQJBAICXSBXWIK-RYUDHWBXSA-N 0 3 248.330 0.646 20 0 BCADHN Cc1cc(NC[C@H](C)CCO)nc(N)n1 ZINC000085486028 711935453 /nfs/dbraw/zinc/93/54/53/711935453.db2.gz KURKKGQAQKPFKG-SSDOTTSWSA-N 0 3 210.281 0.798 20 0 BCADHN CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1C ZINC001032784111 711939369 /nfs/dbraw/zinc/93/93/69/711939369.db2.gz HTXSLQOBKRSVCB-RYUDHWBXSA-N 0 3 248.330 0.497 20 0 BCADHN CC(C)N1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC000070876107 711941138 /nfs/dbraw/zinc/94/11/38/711941138.db2.gz QHERNSFNVZCSBO-LBPRGKRZSA-N 0 3 249.314 0.533 20 0 BCADHN CC(=O)N1C[C@H](NCc2ccnn2C)[C@@H](C)C1 ZINC001054300492 711945547 /nfs/dbraw/zinc/94/55/47/711945547.db2.gz GKGJHBKDVWFSLL-CABZTGNLSA-N 0 3 236.319 0.377 20 0 BCADHN COC[C@@H](C)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001032828896 711953621 /nfs/dbraw/zinc/95/36/21/711953621.db2.gz SEYDIMHDQCDYCL-USZNOCQGSA-N 0 3 240.347 0.868 20 0 BCADHN CO[C@H](C)CN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001032838812 711958465 /nfs/dbraw/zinc/95/84/65/711958465.db2.gz MCUPGOFMOXIODK-DDHJBXDOSA-N 0 3 240.347 0.868 20 0 BCADHN CC(=O)N(C)[C@H]1CCN(CCn2cccn2)C1 ZINC001032852541 711964107 /nfs/dbraw/zinc/96/41/07/711964107.db2.gz OMSZTZBEQHQJBG-LBPRGKRZSA-N 0 3 236.319 0.436 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2cnc(C)cn2)C1 ZINC001032886300 711966313 /nfs/dbraw/zinc/96/63/13/711966313.db2.gz XFWXDOZZLBSPRU-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN CC(C)C(=O)N(C)[C@@H]1CCN(CCCO)C1 ZINC001032916127 711968010 /nfs/dbraw/zinc/96/80/10/711968010.db2.gz VBUXJMUBCJNSDO-LLVKDONJSA-N 0 3 228.336 0.558 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2cnsn2)C1 ZINC001032930207 711969117 /nfs/dbraw/zinc/96/91/17/711969117.db2.gz GRZNNMFULBVASV-QMMMGPOBSA-N 0 3 240.332 0.704 20 0 BCADHN C[C@@H](C(=O)N(C)[C@H]1CCN(CCO)C1)C1CC1 ZINC001032990340 711970294 /nfs/dbraw/zinc/97/02/94/711970294.db2.gz DDKVNBHEZRTBID-PWSUYJOCSA-N 0 3 240.347 0.558 20 0 BCADHN CN(C(=O)C1=CCCC1)[C@@H]1CCN(CCO)C1 ZINC001033012895 711971069 /nfs/dbraw/zinc/97/10/69/711971069.db2.gz YRMVRZUOZSTXDG-GFCCVEGCSA-N 0 3 238.331 0.622 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2n[nH]cc2C)C1 ZINC001033067797 711973688 /nfs/dbraw/zinc/97/36/88/711973688.db2.gz YVMATDVGWYHZLF-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN CN(C(=O)c1cc[nH]c1)[C@@H]1CCN(CCO)C1 ZINC001033099504 711975316 /nfs/dbraw/zinc/97/53/16/711975316.db2.gz JZXIZEXNLYLHOT-LLVKDONJSA-N 0 3 237.303 0.153 20 0 BCADHN CC(C)N1CC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001038093321 711979103 /nfs/dbraw/zinc/97/91/03/711979103.db2.gz WWUSCKAWAMLFOG-WDEREUQCSA-N 0 3 226.320 0.622 20 0 BCADHN COCCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001033327505 711983546 /nfs/dbraw/zinc/98/35/46/711983546.db2.gz HBDWXBSAMVWVOO-IJLUTSLNSA-N 0 3 240.347 0.822 20 0 BCADHN COc1cncc(CN[C@@H]2CCC(=O)N(C)C2)c1 ZINC000700056042 711985073 /nfs/dbraw/zinc/98/50/73/711985073.db2.gz IUAFHCXXFJROKK-LLVKDONJSA-N 0 3 249.314 0.801 20 0 BCADHN COC[C@](C)(O)CNCc1cncc(OC)c1 ZINC000700055377 711985173 /nfs/dbraw/zinc/98/51/73/711985173.db2.gz DPSMJTRFWNNIIP-GFCCVEGCSA-N 0 3 240.303 0.577 20 0 BCADHN COc1cncc(CN[C@@H]2CCOC2)c1 ZINC000700092806 711986299 /nfs/dbraw/zinc/98/62/99/711986299.db2.gz RPWQSMWQDJSOFK-SNVBAGLBSA-N 0 3 208.261 0.969 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001033438131 711990763 /nfs/dbraw/zinc/99/07/63/711990763.db2.gz JXTRPZSIUBVTFX-IJLUTSLNSA-N 0 3 240.347 0.558 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001033438130 711990805 /nfs/dbraw/zinc/99/08/05/711990805.db2.gz JXTRPZSIUBVTFX-GRYCIOLGSA-N 0 3 240.347 0.558 20 0 BCADHN COCCN(CCF)C(=O)[C@H](N)CC1CC1 ZINC000700356404 711990866 /nfs/dbraw/zinc/99/08/66/711990866.db2.gz ZYPGDEVONUJDSX-SNVBAGLBSA-N 0 3 232.299 0.558 20 0 BCADHN Cc1oncc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000700773824 712006352 /nfs/dbraw/zinc/00/63/52/712006352.db2.gz GRYDTBCZPYICIJ-NWDGAFQWSA-N 0 3 237.303 0.234 20 0 BCADHN C[C@@H](O)CN1CC[C@@H](N(C)C(=O)C(C)(C)C)C1 ZINC001033603239 712007248 /nfs/dbraw/zinc/00/72/48/712007248.db2.gz JOKFZPGDFJQQKA-GHMZBOCLSA-N 0 3 242.363 0.946 20 0 BCADHN Cn1cc(/C=C\C(=O)N2CCNCC2(C)C)cn1 ZINC000701386414 712022112 /nfs/dbraw/zinc/02/21/12/712022112.db2.gz GBSLOROCACXMFG-PLNGDYQASA-N 0 3 248.330 0.644 20 0 BCADHN C[C@H](NCC(=O)N1CCOCC1)C1(Cl)CC1 ZINC000702261229 712042592 /nfs/dbraw/zinc/04/25/92/712042592.db2.gz BHSXIJILICVFPN-VIFPVBQESA-N 0 3 246.738 0.595 20 0 BCADHN COCC[C@@H](N)C(=O)NCC1=CCCC1 ZINC000702349146 712045750 /nfs/dbraw/zinc/04/57/50/712045750.db2.gz DEQAXNRVXZYLRV-SNVBAGLBSA-N 0 3 212.293 0.577 20 0 BCADHN COCC[C@H](N)C(=O)NCC1=CCCC1 ZINC000702349143 712045818 /nfs/dbraw/zinc/04/58/18/712045818.db2.gz DEQAXNRVXZYLRV-JTQLQIEISA-N 0 3 212.293 0.577 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC(C)(C1CC1)C1CC1 ZINC000702349897 712046279 /nfs/dbraw/zinc/04/62/79/712046279.db2.gz HWTCQRUXLWYBGV-NSHDSACASA-N 0 3 239.363 0.570 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)C[C@@H]1C ZINC000702329144 712046905 /nfs/dbraw/zinc/04/69/05/712046905.db2.gz INDXBEMKIBKTSJ-VWYCJHECSA-N 0 3 227.352 0.380 20 0 BCADHN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000702328925 712046980 /nfs/dbraw/zinc/04/69/80/712046980.db2.gz FCGOLUUDNKSNKY-VWYCJHECSA-N 0 3 227.352 0.570 20 0 BCADHN C[C@H]1CCCCCN1C(=O)[C@@H](N)CN(C)C ZINC000702329297 712047011 /nfs/dbraw/zinc/04/70/11/712047011.db2.gz JRQCKEJKOBBWTK-QWRGUYRKSA-N 0 3 227.352 0.666 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@@H]1CCCC1(C)C ZINC000702329346 712047209 /nfs/dbraw/zinc/04/72/09/712047209.db2.gz KADKOKTUDXTZOY-VHSXEESVSA-N 0 3 227.352 0.570 20 0 BCADHN CC(C)CN(C(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000702331315 712047585 /nfs/dbraw/zinc/04/75/85/712047585.db2.gz ZJSNPUNYGUGTFH-NSHDSACASA-N 0 3 227.352 0.522 20 0 BCADHN C[C@@H]1CC[C@H](NC(=O)[C@@H](N)CN(C)C)[C@H](C)C1 ZINC000702339790 712047989 /nfs/dbraw/zinc/04/79/89/712047989.db2.gz GRXCKZOWFPFOFN-WYUUTHIRSA-N 0 3 241.379 0.816 20 0 BCADHN C[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000702331213 712048051 /nfs/dbraw/zinc/04/80/51/712048051.db2.gz YJRDIHZDJWGSLI-VWYCJHECSA-N 0 3 227.352 0.570 20 0 BCADHN CC(C)C(C)(C)NC(=O)[C@@H](N)CN(C)C ZINC000702399598 712049456 /nfs/dbraw/zinc/04/94/56/712049456.db2.gz BIYPUVALMLZDAC-VIFPVBQESA-N 0 3 215.341 0.426 20 0 BCADHN C[C@H](CNC(=O)[C@@H](N)CN(C)C)C(C)(C)C ZINC000702370722 712049562 /nfs/dbraw/zinc/04/95/62/712049562.db2.gz INACSBXYCSXEEO-ZJUUUORDSA-N 0 3 229.368 0.674 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(CC1CC1)CC1CC1 ZINC000702382526 712049602 /nfs/dbraw/zinc/04/96/02/712049602.db2.gz BHNOIXWRYXIHAU-LBPRGKRZSA-N 0 3 239.363 0.524 20 0 BCADHN CC(C)[C@H](NC(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000702391403 712049891 /nfs/dbraw/zinc/04/98/91/712049891.db2.gz NDQPHHYWIJVXGT-QWRGUYRKSA-N 0 3 227.352 0.426 20 0 BCADHN CS[C@@H]1CC[C@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000702395326 712050203 /nfs/dbraw/zinc/05/02/03/712050203.db2.gz SXIIORQNWDMIIO-AEJSXWLSSA-N 0 3 245.392 0.276 20 0 BCADHN CC[C@@H]1CCCN1C(=O)[C@@H](N)CN(C)C ZINC000702388532 712050352 /nfs/dbraw/zinc/05/03/52/712050352.db2.gz ZGZMVCANLQDJBZ-ZJUUUORDSA-N 0 3 213.325 0.276 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000702427190 712052234 /nfs/dbraw/zinc/05/22/34/712052234.db2.gz FETLVQDDRYXTBF-FRRDWIJNSA-N 0 3 247.342 0.548 20 0 BCADHN CC[C@@H](C)CCNC(=O)[C@@H](N)CN(C)C ZINC000702421970 712052285 /nfs/dbraw/zinc/05/22/85/712052285.db2.gz BQYSCYDHLMRNTK-ZJUUUORDSA-N 0 3 215.341 0.428 20 0 BCADHN NCc1cn(C[C@H](O)c2ccc(F)cc2)nn1 ZINC000702954521 712062243 /nfs/dbraw/zinc/06/22/43/712062243.db2.gz HNTAGTHRGRRUQF-NSHDSACASA-N 0 3 236.250 0.610 20 0 BCADHN OC[C@H](O)CNCc1cccc2c1OCC2 ZINC000703058476 712065626 /nfs/dbraw/zinc/06/56/26/712065626.db2.gz PBDVEISLSKEDOM-LLVKDONJSA-N 0 3 223.272 0.064 20 0 BCADHN Cc1cc(N2C[C@@H](C)[C@](C)(CO)C2)nc(N)n1 ZINC000703663642 712083160 /nfs/dbraw/zinc/08/31/60/712083160.db2.gz UFOZHRQCZBBSCM-PELKAZGASA-N 0 3 236.319 0.822 20 0 BCADHN CN1CCN(CCCCCCO)[C@H](CO)C1 ZINC000703823552 712089965 /nfs/dbraw/zinc/08/99/65/712089965.db2.gz SMOIMRKKRLPHJQ-LBPRGKRZSA-N 0 3 230.352 0.147 20 0 BCADHN Nc1ccc(CN2CCN(CC3CC3)CC2)nn1 ZINC000703953250 712092872 /nfs/dbraw/zinc/09/28/72/712092872.db2.gz NXCSUQAHMZSGIH-UHFFFAOYSA-N 0 3 247.346 0.586 20 0 BCADHN CN(Cc1ccc(N)nn1)C[C@@H]1CCC[C@H]1O ZINC000703932065 712095273 /nfs/dbraw/zinc/09/52/73/712095273.db2.gz GYMJBUCFCDQZJM-GXSJLCMTSA-N 0 3 236.319 0.652 20 0 BCADHN C[C@@H]1CCN(C[C@H]2CNC(=O)O2)C[C@@H]1CO ZINC000704000588 712095943 /nfs/dbraw/zinc/09/59/43/712095943.db2.gz PAUKYIIVICGXDD-OPRDCNLKSA-N 0 3 228.292 0.045 20 0 BCADHN CCCN(CCO)Cc1ccc(N)nn1 ZINC000703962622 712096485 /nfs/dbraw/zinc/09/64/85/712096485.db2.gz SBZIFLAOIXGXMS-UHFFFAOYSA-N 0 3 210.281 0.263 20 0 BCADHN Nc1ccc(CN(CCO)C2CCCC2)nn1 ZINC000703965238 712097243 /nfs/dbraw/zinc/09/72/43/712097243.db2.gz ZSSIUYOHZXEZOF-UHFFFAOYSA-N 0 3 236.319 0.796 20 0 BCADHN COc1cncc(CN[C@@H]2CC[C@H]2O)c1 ZINC000704098015 712100133 /nfs/dbraw/zinc/10/01/33/712100133.db2.gz BQQLNTQFQSPLCT-GHMZBOCLSA-N 0 3 208.261 0.703 20 0 BCADHN COCC[C@@H](N)C(=O)NCC[C@@H]1CCSC1 ZINC000704920272 712120291 /nfs/dbraw/zinc/12/02/91/712120291.db2.gz ZRQTYQWWXSZREE-NXEZZACHSA-N 0 3 246.376 0.610 20 0 BCADHN CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(=O)[n-]cn1 ZINC000705203366 712124293 /nfs/dbraw/zinc/12/42/93/712124293.db2.gz NSOUJMXQONLUTH-SNVBAGLBSA-N 0 3 236.319 0.960 20 0 BCADHN CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(=O)[n-]cn1 ZINC000705203366 712124295 /nfs/dbraw/zinc/12/42/95/712124295.db2.gz NSOUJMXQONLUTH-SNVBAGLBSA-N 0 3 236.319 0.960 20 0 BCADHN CC(C)N(CC1CC1)C(=O)[C@@H](N)CN(C)C ZINC000705279463 712127215 /nfs/dbraw/zinc/12/72/15/712127215.db2.gz XDXFCWDSQAVAQY-NSHDSACASA-N 0 3 227.352 0.522 20 0 BCADHN OC[C@H]1CN(Cc2cccc(O)c2)C[C@H]1CO ZINC000705389675 712130094 /nfs/dbraw/zinc/13/00/94/712130094.db2.gz TWXURTMZBFZQED-TXEJJXNPSA-N 0 3 237.299 0.425 20 0 BCADHN NC(C(=O)N[C@H]1C=CCC1)C(F)(F)F ZINC000705540784 712132873 /nfs/dbraw/zinc/13/28/73/712132873.db2.gz TXFYBYCGKVZBRC-WDSKDSINSA-N 0 3 208.183 0.711 20 0 BCADHN Cc1c(CN2C[C@H](C)[C@H](O)C2)cnn1C ZINC000705808075 712136069 /nfs/dbraw/zinc/13/60/69/712136069.db2.gz DDYGREOYQMDDOT-GZMMTYOYSA-N 0 3 209.293 0.541 20 0 BCADHN C[NH2+]CCOCC[N-]C(=O)C(F)(F)C(F)F ZINC000705979029 712139570 /nfs/dbraw/zinc/13/95/70/712139570.db2.gz IJZQLEIKQQJCDM-UHFFFAOYSA-N 0 3 246.204 0.239 20 0 BCADHN CON(C)C(=O)CN[C@@H](C)[C@H]1CCCCO1 ZINC000705978466 712139766 /nfs/dbraw/zinc/13/97/66/712139766.db2.gz GBQJMLGJXLVTPA-VHSXEESVSA-N 0 3 230.308 0.553 20 0 BCADHN O=S(=O)(NC[C@@H]1CCCC12CC2)C1CNC1 ZINC000706314126 712143275 /nfs/dbraw/zinc/14/32/75/712143275.db2.gz UQUGVEHXQFOHIU-VIFPVBQESA-N 0 3 244.360 0.458 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@@H]1CCCC12CC2 ZINC000706280454 712143846 /nfs/dbraw/zinc/14/38/46/712143846.db2.gz YVNLKGJAEPQANY-UWVGGRQHSA-N 0 3 226.320 0.657 20 0 BCADHN CSC1CC(NCc2cnnn2C)C1 ZINC000706797611 712156031 /nfs/dbraw/zinc/15/60/31/712156031.db2.gz XXKYCHYLQMSNQI-UHFFFAOYSA-N 0 3 212.322 0.799 20 0 BCADHN CCN(C1CCC1)S(=O)(=O)C1CNC1 ZINC000706844753 712158393 /nfs/dbraw/zinc/15/83/93/712158393.db2.gz WOVCOEKAHJLPQR-UHFFFAOYSA-N 0 3 218.322 0.162 20 0 BCADHN COCC[C@H](N)C(=O)N[C@H]1CCCC12CC2 ZINC000707022546 712163927 /nfs/dbraw/zinc/16/39/27/712163927.db2.gz NKIFTSPEAUROMS-UWVGGRQHSA-N 0 3 226.320 0.799 20 0 BCADHN Cc1cc(N[C@H]2C[C@@H](CO)C2)nc(N)n1 ZINC000707561992 712175405 /nfs/dbraw/zinc/17/54/05/712175405.db2.gz FGKYBWPMWCRWFR-OCAPTIKFSA-N 0 3 208.265 0.550 20 0 BCADHN C[C@@]1(C(F)(F)F)CCN(C[C@@H](O)CO)C1 ZINC000708976058 712204472 /nfs/dbraw/zinc/20/44/72/712204472.db2.gz RLQFIXUDRQDJCQ-HTQZYQBOSA-N 0 3 227.226 0.614 20 0 BCADHN C[C@@]1(C(F)(F)F)CCN(C(=O)CN)C1 ZINC000709619335 712225778 /nfs/dbraw/zinc/22/57/78/712225778.db2.gz YTLOSTXTJYYOJO-SSDOTTSWSA-N 0 3 210.199 0.746 20 0 BCADHN C[C@@H](N[C@@H]1CCC[C@H]1O)c1cn(C)cn1 ZINC000710149378 712246107 /nfs/dbraw/zinc/24/61/07/712246107.db2.gz SHICGNSYTOKQAP-FXPVBKGRSA-N 0 3 209.293 0.984 20 0 BCADHN CC[C@]1(O)CCCN(CC[S@@](C)=O)C1 ZINC000710569111 712250252 /nfs/dbraw/zinc/25/02/52/712250252.db2.gz UPCDIBXARZDPSH-IINYFYTJSA-N 0 3 219.350 0.602 20 0 BCADHN Cc1nc(C)c(CN[C@@H]2COCC[C@H]2O)s1 ZINC000710861637 712259544 /nfs/dbraw/zinc/25/95/44/712259544.db2.gz PBSDSQVFHHKQTR-NXEZZACHSA-N 0 3 242.344 0.999 20 0 BCADHN O[C@@H]1CCOC[C@H]1N[C@@H]1CCCc2n[nH]cc21 ZINC000710916871 712263123 /nfs/dbraw/zinc/26/31/23/712263123.db2.gz TUFJGJAFEWMQGI-YUSALJHKSA-N 0 3 237.303 0.527 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@@H](C)[C@@H](CO)SC ZINC000710975822 712271113 /nfs/dbraw/zinc/27/11/13/712271113.db2.gz JUHBQPHNRHONCD-AEJSXWLSSA-N 0 3 249.376 0.840 20 0 BCADHN CNC(=O)C[C@@H](C)N[C@@H]1CCC1(OC)OC ZINC000710987135 712272455 /nfs/dbraw/zinc/27/24/55/712272455.db2.gz HOLZYBIHEOEIQV-RKDXNWHRSA-N 0 3 230.308 0.252 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@@H]1COC[C@H]1C ZINC000711085878 712279511 /nfs/dbraw/zinc/27/95/11/712279511.db2.gz UQIRAPJXXYCTQU-OUAUKWLOSA-N 0 3 228.336 0.772 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@H]1COC[C@@H]1C ZINC000711085875 712279613 /nfs/dbraw/zinc/27/96/13/712279613.db2.gz UQIRAPJXXYCTQU-DCAQKATOSA-N 0 3 228.336 0.772 20 0 BCADHN CO[C@@H](CN)C(=O)NCCCC1CCC1 ZINC000711153866 712286905 /nfs/dbraw/zinc/28/69/05/712286905.db2.gz VAGPHKDNRWIWKA-JTQLQIEISA-N 0 3 214.309 0.657 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCC[C@H](CF)C1 ZINC000711455983 712304725 /nfs/dbraw/zinc/30/47/25/712304725.db2.gz QSKUJWGDWLDECB-GHMZBOCLSA-N 0 3 247.310 0.982 20 0 BCADHN C[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H]1CCCOC1 ZINC000711701815 712318586 /nfs/dbraw/zinc/31/85/86/712318586.db2.gz CKYHQAXHGZMAIP-UTLUCORTSA-N 0 3 233.333 0.188 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711858648 712335822 /nfs/dbraw/zinc/33/58/22/712335822.db2.gz RVVXWGILAFKZLZ-LSJOCFKGSA-N 0 3 226.320 0.655 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1ccncc1 ZINC001079354406 712347868 /nfs/dbraw/zinc/34/78/68/712347868.db2.gz SYKKUFINGKNYPU-ZYHUDNBSSA-N 0 3 249.314 0.124 20 0 BCADHN C[C@@H]1CN(CCCO)C[C@H]1NC(=O)C(C)(C)F ZINC001079345669 712348037 /nfs/dbraw/zinc/34/80/37/712348037.db2.gz VTBLUUPXWYRFOC-NXEZZACHSA-N 0 3 246.326 0.553 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1cccnc1 ZINC001079361356 712348070 /nfs/dbraw/zinc/34/80/70/712348070.db2.gz MFLKPLVMMFGKQR-ZYHUDNBSSA-N 0 3 249.314 0.124 20 0 BCADHN O[C@H](CN[C@@H]1COC[C@H]1O)c1ccccc1F ZINC000323099324 712354993 /nfs/dbraw/zinc/35/49/93/712354993.db2.gz AZOMXRYYJUMJIM-IJLUTSLNSA-N 0 3 241.262 0.208 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)C1=COCCO1 ZINC000144459691 712358806 /nfs/dbraw/zinc/35/88/06/712358806.db2.gz DRFSEQRDTRIUHV-VIFPVBQESA-N 0 3 238.287 0.228 20 0 BCADHN CN(C)CCONC(=O)/C=C\c1cccnc1 ZINC000379043646 712368433 /nfs/dbraw/zinc/36/84/33/712368433.db2.gz FEFILYRURNXMFL-WAYWQWQTSA-N 0 3 235.287 0.704 20 0 BCADHN CN(C)CCONC(=O)c1cn2ccccc2n1 ZINC000379023961 712368482 /nfs/dbraw/zinc/36/84/82/712368482.db2.gz UIVPEOKCHYUJBN-UHFFFAOYSA-N 0 3 248.286 0.557 20 0 BCADHN CCc1noc(C)c1C(=O)NOCCN(C)C ZINC000379053314 712368792 /nfs/dbraw/zinc/36/87/92/712368792.db2.gz LHEHJSZSHLHZCZ-UHFFFAOYSA-N 0 3 241.291 0.768 20 0 BCADHN CNc1ccccc1C(=O)NOCCN(C)C ZINC000379060809 712369006 /nfs/dbraw/zinc/36/90/06/712369006.db2.gz RCHUKJUWOMWKKT-UHFFFAOYSA-N 0 3 237.303 0.951 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)Cc1ccncc1 ZINC000379198891 712371118 /nfs/dbraw/zinc/37/11/18/712371118.db2.gz XXRNZXRHYLCJAD-UHFFFAOYSA-N 0 3 223.276 0.234 20 0 BCADHN CN(CCC(N)=O)C[C@H]1CC1(Cl)Cl ZINC000379389193 712380793 /nfs/dbraw/zinc/38/07/93/712380793.db2.gz KZBPANORIWNRAN-ZCFIWIBFSA-N 0 3 225.119 0.987 20 0 BCADHN C[C@@H]1NCCN(C(=O)[C@H](O)c2ccccc2)[C@H]1C ZINC000379449855 712384881 /nfs/dbraw/zinc/38/48/81/712384881.db2.gz BAHVSZWYIDAMFS-GMXVVIOVSA-N 0 3 248.326 0.929 20 0 BCADHN C[C@H](O)c1ncc(CN[C@@H]2CCN(C)C2)s1 ZINC000381744131 712396402 /nfs/dbraw/zinc/39/64/02/712396402.db2.gz PRNBSXAKQFVVOH-DTWKUNHWSA-N 0 3 241.360 0.990 20 0 BCADHN CCN(CC(OC)OC)C[C@@H](C)OC ZINC000383066727 712396731 /nfs/dbraw/zinc/39/67/31/712396731.db2.gz GJHKUNPBPGUNCX-SECBINFHSA-N 0 3 205.298 0.962 20 0 BCADHN CCN1CC[C@H]1CNCc1ccn(C)n1 ZINC000712579828 712432690 /nfs/dbraw/zinc/43/26/90/712432690.db2.gz GBHBWBUBXURRJU-NSHDSACASA-N 0 3 208.309 0.604 20 0 BCADHN CCN1CC[C@H]1CNc1ccnc(C(=O)NC)c1 ZINC000712603938 712436614 /nfs/dbraw/zinc/43/66/14/712436614.db2.gz HTSLVMVEECLKTJ-NSHDSACASA-N 0 3 248.330 0.369 20 0 BCADHN CCN1CC[C@@H]1CNc1ccnc(C(=O)NC)c1 ZINC000712603937 712436782 /nfs/dbraw/zinc/43/67/82/712436782.db2.gz HTSLVMVEECLKTJ-LLVKDONJSA-N 0 3 248.330 0.369 20 0 BCADHN COc1ncc(CNC[C@@H]2CCN2C)s1 ZINC000712531470 712441364 /nfs/dbraw/zinc/44/13/64/712441364.db2.gz KXDMSXMZGREGCH-QMMMGPOBSA-N 0 3 227.333 0.945 20 0 BCADHN CCN1CC[C@H]1CNc1cc(=O)[nH]cn1 ZINC000712564280 712446636 /nfs/dbraw/zinc/44/66/36/712446636.db2.gz MXDBRUVBDUQDGZ-QMMMGPOBSA-N 0 3 208.265 0.688 20 0 BCADHN CCN1CC[C@H]1CNc1cc(=O)[nH]c(C)n1 ZINC000712569916 712446882 /nfs/dbraw/zinc/44/68/82/712446882.db2.gz NWNSVXXOTFMZAP-VIFPVBQESA-N 0 3 222.292 0.997 20 0 BCADHN C[C@@H](N)C(=O)N1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712728956 712448654 /nfs/dbraw/zinc/44/86/54/712448654.db2.gz WITDQGZSRYPCDC-HTRCEHHLSA-N 0 3 240.225 0.513 20 0 BCADHN CS(=O)(=O)[C@H]1C[C@H](NCc2cnc[nH]2)C1 ZINC000714246707 712480233 /nfs/dbraw/zinc/48/02/33/712480233.db2.gz VTRGVHUGJOQSHH-XWEPSHTISA-N 0 3 229.305 0.075 20 0 BCADHN CC1(C)CCC[C@@H](CN(CCO)CCO)O1 ZINC000714380559 712481716 /nfs/dbraw/zinc/48/17/16/712481716.db2.gz IVIYKAIJWOYSFZ-NSHDSACASA-N 0 3 231.336 0.621 20 0 BCADHN CN1CCC[C@H](NC[C@H]2COC(C)(C)O2)C1=O ZINC000715066800 712505544 /nfs/dbraw/zinc/50/55/44/712505544.db2.gz QOALBTCLFURMOQ-UWVGGRQHSA-N 0 3 242.319 0.348 20 0 BCADHN CCOC[C@@H](O)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000715393641 712515966 /nfs/dbraw/zinc/51/59/66/712515966.db2.gz ZXUAWKYFAYTCQD-XHNCKOQMSA-N 0 3 221.247 0.581 20 0 BCADHN Cc1c[nH]nc1CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000715403375 712516893 /nfs/dbraw/zinc/51/68/93/712516893.db2.gz ATEXOWJLGNKDRE-JBLDHEPKSA-N 0 3 221.304 0.921 20 0 BCADHN COCCN(CCO)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715539388 712526849 /nfs/dbraw/zinc/52/68/49/712526849.db2.gz RIIHKPAZOYTHFA-CHWSQXEVSA-N 0 3 243.347 0.885 20 0 BCADHN Nc1n[nH]c(SCCN2CCCC2)n1 ZINC000037021868 712529324 /nfs/dbraw/zinc/52/93/24/712529324.db2.gz LZBICBGOOPGTRC-UHFFFAOYSA-N 0 3 213.310 0.575 20 0 BCADHN C[C@@H](NC[C@H]1CCCOC1)c1cn(C)nn1 ZINC000715915873 712542113 /nfs/dbraw/zinc/54/21/13/712542113.db2.gz WAIRKKBTBCPXHA-NXEZZACHSA-N 0 3 224.308 0.892 20 0 BCADHN C[C@H](NC[C@H]1CC[C@@H](O)C1)c1cn(C)nn1 ZINC000715914455 712542235 /nfs/dbraw/zinc/54/22/35/712542235.db2.gz UMIAODPTPDHUMZ-LPEHRKFASA-N 0 3 224.308 0.627 20 0 BCADHN C[S@@](=O)CCN1CCC(C(C)(C)O)CC1 ZINC000716406530 712558758 /nfs/dbraw/zinc/55/87/58/712558758.db2.gz NDQGXQNQYXHHLN-OAHLLOKOSA-N 0 3 233.377 0.848 20 0 BCADHN C[S@](=O)CCN1CCC(C(C)(C)O)CC1 ZINC000716406527 712558892 /nfs/dbraw/zinc/55/88/92/712558892.db2.gz NDQGXQNQYXHHLN-HNNXBMFYSA-N 0 3 233.377 0.848 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC(C(C)(C)O)CC1 ZINC000716412603 712559165 /nfs/dbraw/zinc/55/91/65/712559165.db2.gz KKUNSASYUMWBLS-SNVBAGLBSA-N 0 3 242.363 0.946 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)c1sccc1F ZINC000716678621 712569414 /nfs/dbraw/zinc/56/94/14/712569414.db2.gz JCMMDHIUAQOMFF-ZETCQYMHSA-N 0 3 246.307 0.540 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)CSC(C)(C)C ZINC000716678305 712569572 /nfs/dbraw/zinc/56/95/72/712569572.db2.gz HFGPIFKMGVWILN-VIFPVBQESA-N 0 3 248.392 0.557 20 0 BCADHN Cc1cc(NCC[C@@H](O)C(F)F)nc(N)n1 ZINC000716713174 712570964 /nfs/dbraw/zinc/57/09/64/712570964.db2.gz ODGOFZQDNBULGC-ZCFIWIBFSA-N 0 3 232.234 0.795 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)/C=C\c1cccnc1 ZINC000716735734 712571472 /nfs/dbraw/zinc/57/14/72/712571472.db2.gz MWSXNJBOIAAQNY-FOQNGQEVSA-N 0 3 249.314 0.134 20 0 BCADHN CCOC(=O)/C=C/CN[C@@](C)(CO)COC ZINC000716805009 712575428 /nfs/dbraw/zinc/57/54/28/712575428.db2.gz SVKJTJBNXVXABA-QRGHLMKCSA-N 0 3 231.292 0.093 20 0 BCADHN CC/C=C(/F)C(=O)N[C@H](CO)CN(C)C ZINC000868345321 712622219 /nfs/dbraw/zinc/62/22/19/712622219.db2.gz GHXZXRIABIZZKZ-MOIHINDBSA-N 0 3 218.272 0.289 20 0 BCADHN CO[C@H](C)CN1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880523709 712633531 /nfs/dbraw/zinc/63/35/31/712633531.db2.gz KQCHVYWNUXNSFO-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1ccsc1 ZINC000717393093 712653399 /nfs/dbraw/zinc/65/33/99/712653399.db2.gz HBFNOPMQIVAKJJ-VXNVDRBHSA-N 0 3 201.291 0.579 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H]1CC(C)(C)CO1 ZINC000717620434 712662800 /nfs/dbraw/zinc/66/28/00/712662800.db2.gz WFFKFJIQZDNKLL-HTQZYQBOSA-N 0 3 200.282 0.265 20 0 BCADHN C[NH2+]CCC(=O)[N-]O[C@H]1CCCCO1 ZINC000389899278 712690909 /nfs/dbraw/zinc/69/09/09/712690909.db2.gz BYPGOZUUBNZBRJ-VIFPVBQESA-N 0 3 202.254 0.170 20 0 BCADHN O[C@@H](CN1CCC[C@H]1c1nnc[nH]1)C1CC1 ZINC000931142098 712713764 /nfs/dbraw/zinc/71/37/64/712713764.db2.gz KZCLBSHXUASKSP-UWVGGRQHSA-N 0 3 222.292 0.713 20 0 BCADHN Cc1coc(C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000718431123 712760941 /nfs/dbraw/zinc/76/09/41/712760941.db2.gz KLBGYQCDTNUKBM-GFCCVEGCSA-N 0 3 238.287 0.384 20 0 BCADHN CC[C@@H](N)C(=O)NCC(=O)NCc1ccccc1 ZINC000037908811 712785440 /nfs/dbraw/zinc/78/54/40/712785440.db2.gz SWXPHIJLYVDOAK-LLVKDONJSA-N 0 3 249.314 0.156 20 0 BCADHN CC[C@H](N)C(=O)NCCC(C)(C)COC ZINC000718933404 712788568 /nfs/dbraw/zinc/78/85/68/712788568.db2.gz CZAVPGMCWIEUHA-VIFPVBQESA-N 0 3 216.325 0.903 20 0 BCADHN COCC(C)(C)CCNC(=O)[C@@H](C)N ZINC000718933384 712788641 /nfs/dbraw/zinc/78/86/41/712788641.db2.gz CGMYSHPEWFDSIV-MRVPVSSYSA-N 0 3 202.298 0.513 20 0 BCADHN C[C@H]1COC[C@@H]1NCc1cnc2n1CCC2 ZINC000719154042 712798742 /nfs/dbraw/zinc/79/87/42/712798742.db2.gz NQNVIFKCEWJYHK-ONGXEEELSA-N 0 3 221.304 0.954 20 0 BCADHN Cc1ccc(NC(=O)c2c(CN)cnn2C)nc1 ZINC000719232887 712800860 /nfs/dbraw/zinc/80/08/60/712800860.db2.gz WTPPQWJAHATCGJ-UHFFFAOYSA-N 0 3 245.286 0.835 20 0 BCADHN CC[C@@H]1CCN(C(=O)c2c(CN)cnn2C)C1 ZINC000719243663 712801103 /nfs/dbraw/zinc/80/11/03/712801103.db2.gz DYZBBJAEUFSDDL-SECBINFHSA-N 0 3 236.319 0.751 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C ZINC000719340592 712804729 /nfs/dbraw/zinc/80/47/29/712804729.db2.gz FAEISDARYKKZFX-SCZZXKLOSA-N 0 3 235.287 0.610 20 0 BCADHN COc1c(N)ncnc1N[C@@H]1CCN(C)[C@@H]1C ZINC000719332703 712804863 /nfs/dbraw/zinc/80/48/63/712804863.db2.gz IMALMGUKQXNLFQ-HTQZYQBOSA-N 0 3 237.307 0.572 20 0 BCADHN C[C@H]1[C@H](NC(=S)NC2CC2)CCN1C ZINC000719365907 712806233 /nfs/dbraw/zinc/80/62/33/712806233.db2.gz LTYINXQRIQLZFV-IONNQARKSA-N 0 3 213.350 0.706 20 0 BCADHN CCNC(=S)N[C@H]1CCN(C)[C@H]1C ZINC000719367728 712806279 /nfs/dbraw/zinc/80/62/79/712806279.db2.gz SNUIZXGUWIJITD-YUMQZZPRSA-N 0 3 201.339 0.563 20 0 BCADHN COC[C@H](C)NC(=S)N[C@H]1CCN(C)[C@@H]1C ZINC000719364675 712806317 /nfs/dbraw/zinc/80/63/17/712806317.db2.gz FZIAOEFZZRHPBE-AEJSXWLSSA-N 0 3 245.392 0.578 20 0 BCADHN CCOCC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000719435881 712807864 /nfs/dbraw/zinc/80/78/64/712807864.db2.gz NFVIVZRKGMDWRQ-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN NCC(=O)NCc1ncc(Cl)s1 ZINC000719442183 712808284 /nfs/dbraw/zinc/80/82/84/712808284.db2.gz QARIFCDCTAJRCD-UHFFFAOYSA-N 0 3 205.670 0.371 20 0 BCADHN CNc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cn1 ZINC000719497430 712808715 /nfs/dbraw/zinc/80/87/15/712808715.db2.gz SSAQQEZGLXKXQU-MWLCHTKSSA-N 0 3 248.330 0.946 20 0 BCADHN CCn1ccnc(N[C@@H]2CCN(C)[C@H]2C)c1=O ZINC000719570972 712811392 /nfs/dbraw/zinc/81/13/92/712811392.db2.gz FKIDZKLAWMVPRL-VHSXEESVSA-N 0 3 236.319 0.768 20 0 BCADHN OC[C@H]1CN(CCc2ccns2)CC[C@H]1O ZINC000719874380 712824444 /nfs/dbraw/zinc/82/44/44/712824444.db2.gz PXMMKPMOXDKFTJ-MWLCHTKSSA-N 0 3 242.344 0.361 20 0 BCADHN O[C@@H]1CC[C@H]1NCc1cnc2n1CCC2 ZINC000719898528 712826515 /nfs/dbraw/zinc/82/65/15/712826515.db2.gz XMHAMNXWFASVMI-NXEZZACHSA-N 0 3 207.277 0.442 20 0 BCADHN Cc1cc(CN2C[C@H](C)[C@H](O)C2)c(C)nn1 ZINC000720599925 712856265 /nfs/dbraw/zinc/85/62/65/712856265.db2.gz JWVCSYGPNBBNLR-QPUJVOFHSA-N 0 3 221.304 0.906 20 0 BCADHN Cc1cc(CN2C[C@@H](C)[C@@H](O)C2)c(C)nn1 ZINC000720599923 712856726 /nfs/dbraw/zinc/85/67/26/712856726.db2.gz JWVCSYGPNBBNLR-PELKAZGASA-N 0 3 221.304 0.906 20 0 BCADHN Cc1cc(CN2C[C@@H](C)[C@H](O)C2)c(C)nn1 ZINC000720599924 712856784 /nfs/dbraw/zinc/85/67/84/712856784.db2.gz JWVCSYGPNBBNLR-PRHODGIISA-N 0 3 221.304 0.906 20 0 BCADHN C[C@@H](NC[C@H]1C[C@H](O)C1)c1nccn1C ZINC000720958308 712882744 /nfs/dbraw/zinc/88/27/44/712882744.db2.gz XRJWYKXBTVHHJC-OPRDCNLKSA-N 0 3 209.293 0.842 20 0 BCADHN CC(=O)NC[C@@H]1CCN1CC[C@H](C)F ZINC001037984083 712895236 /nfs/dbraw/zinc/89/52/36/712895236.db2.gz CCWIRXJCTGSNAP-WPRPVWTQSA-N 0 3 202.273 0.945 20 0 BCADHN CC(=O)NC[C@H]1CCN1CC[C@H](C)F ZINC001037984076 712895388 /nfs/dbraw/zinc/89/53/88/712895388.db2.gz CCWIRXJCTGSNAP-WCBMZHEXSA-N 0 3 202.273 0.945 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1c1ncc2c(n1)CNC2 ZINC001164642416 719196550 /nfs/dbraw/zinc/19/65/50/719196550.db2.gz YFCBIVKYQAWKRZ-VHSXEESVSA-N 0 3 247.346 0.609 20 0 BCADHN C[C@@H]1CN(c2ncc3c(n2)CNC3)[C@H](C)CN1C ZINC001164642412 719196405 /nfs/dbraw/zinc/19/64/05/719196405.db2.gz YFCBIVKYQAWKRZ-NXEZZACHSA-N 0 3 247.346 0.609 20 0 BCADHN COc1ccnc(N2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC001164667575 719371890 /nfs/dbraw/zinc/37/18/90/719371890.db2.gz KNHZCWSQRYJWAL-RYUDHWBXSA-N 0 3 249.314 0.609 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000036999415 262782624 /nfs/dbraw/zinc/78/26/24/262782624.db2.gz XQEVGOFTPCKMSZ-VWYCJHECSA-N 0 3 238.335 0.761 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCNCC1)N(C)C ZINC000082642412 167341367 /nfs/dbraw/zinc/34/13/67/167341367.db2.gz NZSWRTQSYPOKAM-JTQLQIEISA-N 0 3 213.325 0.004 20 0 BCADHN C[C@H](N[C@@H]1C=C[C@@H](CO)C1)c1cn[nH]c1 ZINC000340524215 398136818 /nfs/dbraw/zinc/13/68/18/398136818.db2.gz GUSREKIPTIOUTK-IQJOONFLSA-N 0 3 207.277 0.997 20 0 BCADHN CCN1CCN(CCn2ccnc2)C[C@@H]1C ZINC000677987647 488169511 /nfs/dbraw/zinc/16/95/11/488169511.db2.gz CKUKXVSYXDAFFW-LBPRGKRZSA-N 0 3 222.336 0.909 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)Cc2cc[nH]n2)CN1C1CC1 ZINC000268012755 538916259 /nfs/dbraw/zinc/91/62/59/538916259.db2.gz UZQUAVNRRPADSY-MWLCHTKSSA-N 0 3 248.330 0.694 20 0 BCADHN COCCN1CCN(C[C@H](C)CO)C(C)(C)C1 ZINC000649850340 398139526 /nfs/dbraw/zinc/13/95/26/398139526.db2.gz JKDISCXQPHHXGH-LBPRGKRZSA-N 0 3 244.379 0.657 20 0 BCADHN COCCN1CCN(CC[C@H](C)O)C(C)(C)C1 ZINC000649850957 398139572 /nfs/dbraw/zinc/13/95/72/398139572.db2.gz GUHSPPJPKIDWOH-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN CC(C)N1C(=O)N[C@@H]2CN(C[C@@H](C)O)CC[C@@H]21 ZINC000407994674 398140156 /nfs/dbraw/zinc/14/01/56/398140156.db2.gz DRUNYYFREZDFDV-MXWKQRLJSA-N 0 3 241.335 0.244 20 0 BCADHN CCO[C@H]1CCCN(C[C@@](C)(O)C(C)=O)C1 ZINC000649318286 398142653 /nfs/dbraw/zinc/14/26/53/398142653.db2.gz PEEMYMVISWVZIE-NWDGAFQWSA-N 0 3 229.320 0.827 20 0 BCADHN C[C@@H](O)CCN1CCC[C@]12CCNC2=O ZINC000576238121 365524995 /nfs/dbraw/zinc/52/49/95/365524995.db2.gz VCQVCBPUJCTJBQ-MWLCHTKSSA-N 0 3 212.293 0.112 20 0 BCADHN Cc1cc(CN(C)C(=O)[C@H]2C[C@H](F)CN2)no1 ZINC000188382136 177968462 /nfs/dbraw/zinc/96/84/62/177968462.db2.gz IGOOBVMRSSKPRD-WCBMZHEXSA-N 0 3 241.266 0.641 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CC[C@]2(CCOC2)C1 ZINC000153418817 136212884 /nfs/dbraw/zinc/21/28/84/136212884.db2.gz NIXSAKMCBZBEEY-GWCFXTLKSA-N 0 3 238.331 0.766 20 0 BCADHN CCC(CC)(CN[C@H]1COC[C@H]1O)C(=O)OC ZINC000361329113 168326940 /nfs/dbraw/zinc/32/69/40/168326940.db2.gz WDEDLESCBYRIRS-VHSXEESVSA-N 0 3 245.319 0.315 20 0 BCADHN Cn1nccc1CNC(=O)C1(N)CCCCC1 ZINC000071334844 398147092 /nfs/dbraw/zinc/14/70/92/398147092.db2.gz YWAKEFRJGGJGFO-UHFFFAOYSA-N 0 3 236.319 0.698 20 0 BCADHN Cc1cnc(CNCCc2cn[nH]c2)n1C ZINC000336742726 398144320 /nfs/dbraw/zinc/14/43/20/398144320.db2.gz SGTVPGOICULZJD-UHFFFAOYSA-N 0 3 219.292 0.784 20 0 BCADHN C[C@@H](CCO)N(C)CCn1ccccc1=O ZINC000649867242 398148071 /nfs/dbraw/zinc/14/80/71/398148071.db2.gz GBKQPLWUEIUVDL-NSHDSACASA-N 0 3 224.304 0.551 20 0 BCADHN C[C@H](CCO)N(C)CCN1CCCC1=O ZINC000649867764 398149948 /nfs/dbraw/zinc/14/99/48/398149948.db2.gz RMMOLYVCNSJVAE-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN O=C(C[C@H]1CSCCN1)N1C[C@@H]2C[C@@H]2C1 ZINC000379538730 398151148 /nfs/dbraw/zinc/15/11/48/398151148.db2.gz KWTQPLXNQJJVSX-AEJSXWLSSA-N 0 3 226.345 0.560 20 0 BCADHN CN(Cc1cn[nH]c1)C(=O)C(N)C(F)(F)F ZINC000649335348 398151742 /nfs/dbraw/zinc/15/17/42/398151742.db2.gz TYAZUIWDJJVNSC-ZCFIWIBFSA-N 0 3 236.197 0.258 20 0 BCADHN O=C(CN(C[C@@H]1CCOC1)C1CC1)N1CCC1 ZINC000339105035 398151914 /nfs/dbraw/zinc/15/19/14/398151914.db2.gz GNQDANOTWRWELV-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN Cc1cc(CN2C[C@@H](O)[C@@H](O)C2)c(C)s1 ZINC000278813757 178007031 /nfs/dbraw/zinc/00/70/31/178007031.db2.gz PHAOILLEBLHFBH-PHIMTYICSA-N 0 3 227.329 0.902 20 0 BCADHN Cc1cc(CNC(=O)/C=C/CN(C)C)on1 ZINC000264664992 178010022 /nfs/dbraw/zinc/01/00/22/178010022.db2.gz WRQCIELAQPQDTQ-SNAWJCMRSA-N 0 3 223.276 0.717 20 0 BCADHN Cc1cc(CNC(=O)N(C)CCN(C)C)on1 ZINC000176287321 178012795 /nfs/dbraw/zinc/01/27/95/178012795.db2.gz OWGRNTMGGCZAAR-UHFFFAOYSA-N 0 3 240.307 0.686 20 0 BCADHN C[C@H](CCO)N(C)CC[C@H]1CCS(=O)(=O)C1 ZINC000649869526 398155216 /nfs/dbraw/zinc/15/52/16/398155216.db2.gz GGWWEQKEXQSWAM-MNOVXSKESA-N 0 3 249.376 0.514 20 0 BCADHN Cc1cc(CNC(=O)[C@H]2C[C@H](C)CCN2)on1 ZINC000127061033 178015561 /nfs/dbraw/zinc/01/55/61/178015561.db2.gz IIRGXDDHBKBIGR-LDYMZIIASA-N 0 3 237.303 0.987 20 0 BCADHN Cc1nocc1CNC[C@@H]1CC[C@@H](CO)O1 ZINC000339406914 398156837 /nfs/dbraw/zinc/15/68/37/398156837.db2.gz HVJBGERBOODAAH-QWRGUYRKSA-N 0 3 226.276 0.613 20 0 BCADHN Cc1cc(CNC[C@@H](O)CO)cs1 ZINC000285810466 178022258 /nfs/dbraw/zinc/02/22/58/178022258.db2.gz HMDBPUKQLJRJSA-SECBINFHSA-N 0 3 201.291 0.499 20 0 BCADHN Cc1cc(CNC[C@@H](O)CO)ccc1F ZINC000083347373 178023465 /nfs/dbraw/zinc/02/34/65/178023465.db2.gz UVMYUOLHDFKIDD-SNVBAGLBSA-N 0 3 213.252 0.577 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCCOCCOC ZINC000040829958 398168323 /nfs/dbraw/zinc/16/83/23/398168323.db2.gz WYTVQGYSLFOVBL-GFCCVEGCSA-N 0 3 246.351 0.673 20 0 BCADHN CC[C@H](N)c1cn(Cc2snnc2C)nn1 ZINC000390277692 398168987 /nfs/dbraw/zinc/16/89/87/398168987.db2.gz UHVJYCUEVQWCDJ-ZETCQYMHSA-N 0 3 238.320 0.896 20 0 BCADHN CC(C)SCC(=O)NC[C@@H]1CNCCO1 ZINC000576219840 365526234 /nfs/dbraw/zinc/52/62/34/365526234.db2.gz SYRLAAFOERXNLH-VIFPVBQESA-N 0 3 232.349 0.233 20 0 BCADHN [NH3+]CCOCC(=O)Nc1cc(F)ccc1[O-] ZINC000649373576 398183170 /nfs/dbraw/zinc/18/31/70/398183170.db2.gz BINUKARJSPBVJD-UHFFFAOYSA-N 0 3 228.223 0.445 20 0 BCADHN CO[C@](C)(CN[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000390463235 398172885 /nfs/dbraw/zinc/17/28/85/398172885.db2.gz DMAJHIMIEMCMKF-GHMZBOCLSA-N 0 3 247.360 0.578 20 0 BCADHN CC(C(=O)N1CCOCC1(C)C)S(C)(=O)=O ZINC000112798111 136216227 /nfs/dbraw/zinc/21/62/27/136216227.db2.gz IOEFKHMUBAYDMI-MRVPVSSYSA-N 0 3 249.332 0.057 20 0 BCADHN COc1ncc(CNC[C@]2(O)CCOC2)s1 ZINC000390604510 398175322 /nfs/dbraw/zinc/17/53/22/398175322.db2.gz XEXUDMYFOAKCSJ-SNVBAGLBSA-N 0 3 244.316 0.393 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2csnn2)nn1 ZINC000390503711 398176521 /nfs/dbraw/zinc/17/65/21/398176521.db2.gz VJKYYDGGNOIOLT-MRVPVSSYSA-N 0 3 238.320 0.978 20 0 BCADHN CC(=O)N1CC[C@H](NCc2cc[nH]c2)C1 ZINC000336675323 398183505 /nfs/dbraw/zinc/18/35/05/398183505.db2.gz AHTNIXXFMPABKN-NSHDSACASA-N 0 3 207.277 0.725 20 0 BCADHN OCCOCCN1CC[C@@]2(CC2(F)F)C1 ZINC000649905114 398178113 /nfs/dbraw/zinc/17/81/13/398178113.db2.gz TWORMILQNIBTJU-SECBINFHSA-N 0 3 221.247 0.726 20 0 BCADHN Cc1ccc(CN2CC[C@H]3C(=O)NC(=O)[C@H]3C2)o1 ZINC000366535398 398179304 /nfs/dbraw/zinc/17/93/04/398179304.db2.gz XHXMIXPNWFGFCW-MNOVXSKESA-N 0 3 248.282 0.683 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](C)N1CCCC1)N(C)C ZINC000533123760 398183932 /nfs/dbraw/zinc/18/39/32/398183932.db2.gz RIRGRGVVHTYHJH-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN CNCC(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000380053304 398182542 /nfs/dbraw/zinc/18/25/42/398182542.db2.gz JUKVHCLSYGUULP-DTWKUNHWSA-N 0 3 200.282 0.137 20 0 BCADHN CN(CCN1CCCCC1)C[C@@H]1COCCO1 ZINC000649889623 398165734 /nfs/dbraw/zinc/16/57/34/398165734.db2.gz HALLELHNLKCHIG-CYBMUJFWSA-N 0 3 242.363 0.820 20 0 BCADHN CC[C@H](C(N)=O)N(C)CCN1CCCCC1 ZINC000649888515 398166230 /nfs/dbraw/zinc/16/62/30/398166230.db2.gz WGJXIYFPEJYQAT-LLVKDONJSA-N 0 3 227.352 0.668 20 0 BCADHN COC[C@H](NC1COCCOC1)C(C)C ZINC000379785692 398166888 /nfs/dbraw/zinc/16/68/88/398166888.db2.gz HSDDTECVKIWUMT-NSHDSACASA-N 0 3 217.309 0.662 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N[C@@H]1C=CCCC1 ZINC000649374421 398186063 /nfs/dbraw/zinc/18/60/63/398186063.db2.gz CWBIQXCCKHDCCZ-NEPJUHHUSA-N 0 3 238.331 0.980 20 0 BCADHN Cc1cc(F)ccc1CCNC(=O)CN ZINC000087370476 178083495 /nfs/dbraw/zinc/08/34/95/178083495.db2.gz RCSQVXNKFUTGTH-UHFFFAOYSA-N 0 3 210.252 0.752 20 0 BCADHN CO[C@H](C)CN1CCC(N(C)C(C)=O)CC1 ZINC000182100141 136218551 /nfs/dbraw/zinc/21/85/51/136218551.db2.gz YFPNQJLJYVQILF-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN Cc1[nH]c2ncnc(N3CCOCCN3)c2c1C ZINC000645241402 398191079 /nfs/dbraw/zinc/19/10/79/398191079.db2.gz QRUAVWNEQNQJKY-UHFFFAOYSA-N 0 3 247.302 0.916 20 0 BCADHN CCC[C@H](CN[C@H]1CC(=O)N(C)C1)OC ZINC000385979302 398192394 /nfs/dbraw/zinc/19/23/94/398192394.db2.gz CMLCUZLLHUTVJX-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CCC(CC)C(=O)NC[C@@](C)(O)CN(C)C ZINC000152605953 168338922 /nfs/dbraw/zinc/33/89/22/168338922.db2.gz KOMAPIPKQXQGOJ-GFCCVEGCSA-N 0 3 230.352 0.851 20 0 BCADHN C[C@H](NC[C@H]1CCCN1C)c1nncn1C ZINC000386218906 398199849 /nfs/dbraw/zinc/19/98/49/398199849.db2.gz JIRIUVZSMYCNBU-VHSXEESVSA-N 0 3 223.324 0.560 20 0 BCADHN Cc1n[nH]cc1CNCC1(CO)CCC1 ZINC000184376584 192027353 /nfs/dbraw/zinc/02/73/53/192027353.db2.gz IRLQTJROLABZQI-UHFFFAOYSA-N 0 3 209.293 0.970 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCCC(C)(C)O ZINC000309106747 136217831 /nfs/dbraw/zinc/21/78/31/136217831.db2.gz IFIVZYZWRZIOFE-RKDXNWHRSA-N 0 3 214.309 0.262 20 0 BCADHN C[C@H](O)CCN1CCC[C@]12CCNC2=O ZINC000576238119 365534260 /nfs/dbraw/zinc/53/42/60/365534260.db2.gz VCQVCBPUJCTJBQ-GXSJLCMTSA-N 0 3 212.293 0.112 20 0 BCADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCN1CCOCC1 ZINC000429290119 192027430 /nfs/dbraw/zinc/02/74/30/192027430.db2.gz CXILPIAWTZYZPL-CLLJXQQHSA-N 0 3 242.363 0.552 20 0 BCADHN Cn1cc([C@@H]2CN(CCO)CC2(C)C)cn1 ZINC000580272481 346818756 /nfs/dbraw/zinc/81/87/56/346818756.db2.gz GXPKRYHTXCHZBS-NSHDSACASA-N 0 3 223.320 0.838 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC1CC=CC1 ZINC000162310889 538922363 /nfs/dbraw/zinc/92/23/63/538922363.db2.gz DNIGNVHNEXBWAC-QMMMGPOBSA-N 0 3 203.307 0.728 20 0 BCADHN C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccccc1[O-] ZINC000380551613 398200626 /nfs/dbraw/zinc/20/06/26/398200626.db2.gz KAGQWLWLMNRXKF-WCBMZHEXSA-N 0 3 220.272 0.872 20 0 BCADHN CCCCN(CC(N)=O)C[C@@H](C)OC ZINC000182066021 136218889 /nfs/dbraw/zinc/21/88/89/136218889.db2.gz ZLZCXFGUXRGWLH-SECBINFHSA-N 0 3 202.298 0.609 20 0 BCADHN CCn1nccc1CNCC1(CO)CC1 ZINC000162710159 538924608 /nfs/dbraw/zinc/92/46/08/538924608.db2.gz FJFIBUDIVLPSFZ-UHFFFAOYSA-N 0 3 209.293 0.765 20 0 BCADHN Cc1cc(NC(=O)CN[C@@H](C)[C@H](C)CO)on1 ZINC000274067029 178132808 /nfs/dbraw/zinc/13/28/08/178132808.db2.gz QWZVZCNCXAKVIC-APPZFPTMSA-N 0 3 241.291 0.528 20 0 BCADHN C[C@@H]1CSC[C@H]1N[C@H]1CCS(=O)(=O)C1 ZINC000306818173 398207262 /nfs/dbraw/zinc/20/72/62/398207262.db2.gz FEKRUDRDRAWCLF-HRDYMLBCSA-N 0 3 235.374 0.515 20 0 BCADHN C[C@H]1CN(C)CCN1CCc1cnn(C)c1 ZINC000334452956 398207439 /nfs/dbraw/zinc/20/74/39/398207439.db2.gz ZTWYBDACLBGEAL-NSHDSACASA-N 0 3 222.336 0.599 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCO[C@@H](C)C1)N(C)C ZINC000334453086 398207541 /nfs/dbraw/zinc/20/75/41/398207541.db2.gz ZZAGLLJSLCBBOU-QWRGUYRKSA-N 0 3 228.336 0.820 20 0 BCADHN C[C@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)[n-][nH]1 ZINC000162348123 398215429 /nfs/dbraw/zinc/21/54/29/398215429.db2.gz OAWQUXDYQHECDJ-JGVFFNPUSA-N 0 3 210.281 0.766 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)NCCCCO)CCCN1C ZINC000426208957 398215988 /nfs/dbraw/zinc/21/59/88/398215988.db2.gz FXBPFRRQFDOEQB-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN C[C@@H](C(=O)N(C)C)N(C)[C@@H]1CCCC[C@H]1O ZINC000426220162 398216810 /nfs/dbraw/zinc/21/68/10/398216810.db2.gz NARVEGDVDWOBIY-HBNTYKKESA-N 0 3 228.336 0.698 20 0 BCADHN CCC[C@H](CNC[C@H]1CCCS1(=O)=O)OC ZINC000386452997 398209909 /nfs/dbraw/zinc/20/99/09/398209909.db2.gz OFWUVQGXYTZEKP-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN CCC[C@@H]1CCCN(CC(=O)NC(=O)NC)C1 ZINC000121001851 136221345 /nfs/dbraw/zinc/22/13/45/136221345.db2.gz NFHBRBJYVLJMCA-SNVBAGLBSA-N 0 3 241.335 0.954 20 0 BCADHN C[C@@H](O)[C@@H](C)NCc1cnc(N(C)C)n1C ZINC000387085659 398225387 /nfs/dbraw/zinc/22/53/87/398225387.db2.gz ZOMNQNIUMAIFKT-RKDXNWHRSA-N 0 3 226.324 0.345 20 0 BCADHN CC(C)OC(=O)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000429782274 398225474 /nfs/dbraw/zinc/22/54/74/398225474.db2.gz VHPAPKNHYSAGCZ-SNVBAGLBSA-N 0 3 244.335 0.818 20 0 BCADHN COC(=O)[C@](C)(O)CN[C@@]1(C)CCO[C@@H]1C ZINC000234549544 343985676 /nfs/dbraw/zinc/98/56/76/343985676.db2.gz CZVUKUXQVGAFDK-DVVUODLYSA-N 0 3 231.292 0.068 20 0 BCADHN Cc1cc(NC[C@H]2CN(C)CCN2C)nc(C)n1 ZINC000068806331 178170686 /nfs/dbraw/zinc/17/06/86/178170686.db2.gz UMFFLKZVVAJPLZ-LBPRGKRZSA-N 0 3 249.362 0.751 20 0 BCADHN CCN(CCO)CCNC(=O)Cc1ccco1 ZINC000274575976 538930189 /nfs/dbraw/zinc/93/01/89/538930189.db2.gz RRNCQXGJAFRDLF-UHFFFAOYSA-N 0 3 240.303 0.253 20 0 BCADHN COC(=O)CCN1CC[C@H](C)[C@@H](OC)C1 ZINC000189297555 398223915 /nfs/dbraw/zinc/22/39/15/398223915.db2.gz GPTWWIZHSXITML-UWVGGRQHSA-N 0 3 215.293 0.906 20 0 BCADHN C[C@H]1C[C@@H](C(=O)N2CCNC(C)(C)C2)CO1 ZINC000161955552 349520951 /nfs/dbraw/zinc/52/09/51/349520951.db2.gz IXLOGSKJMQVZND-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](CN(C)CC1CC(O)C1)CS(C)(=O)=O ZINC000190117925 398228382 /nfs/dbraw/zinc/22/83/82/398228382.db2.gz DJNRNUSKGRTQNX-WHXUTIOJSA-N 0 3 249.376 0.370 20 0 BCADHN Cc1nn(C)cc1CN[C@H](C)C[C@H](C)O ZINC000164514632 361768557 /nfs/dbraw/zinc/76/85/57/361768557.db2.gz JMDFRFXOEVTSPS-BDAKNGLRSA-N 0 3 211.309 0.978 20 0 BCADHN O=C(CC1CCC1)NCCN1CC[C@H](O)C1 ZINC000629913424 361769496 /nfs/dbraw/zinc/76/94/96/361769496.db2.gz CTAKXQRHSPIXCT-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN CC(C)N(Cc1cccn1C)C[C@H](O)CO ZINC000421408421 192332287 /nfs/dbraw/zinc/33/22/87/192332287.db2.gz LCSCUYQXVZTKAD-LBPRGKRZSA-N 0 3 226.320 0.589 20 0 BCADHN CC[C@@H](C)CC(=O)NCCN1CC[C@H](O)C1 ZINC000629916870 361774281 /nfs/dbraw/zinc/77/42/81/361774281.db2.gz YQDKMTZABJDMSB-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN CN(Cc1cnc2cnccn12)CC1CC(O)C1 ZINC000276825542 538933454 /nfs/dbraw/zinc/93/34/54/538933454.db2.gz WWJVRPHDTUXJTB-UHFFFAOYSA-N 0 3 246.314 0.932 20 0 BCADHN CCCC[C@@H](COC)N[C@H](C)C(N)=O ZINC000164552238 538933551 /nfs/dbraw/zinc/93/35/51/538933551.db2.gz RMMHIWAITVVLJT-BDAKNGLRSA-N 0 3 202.298 0.655 20 0 BCADHN C[C@@H]1CN(C(=O)C2CCOCC2)[C@H](C)CN1 ZINC000083118297 349523097 /nfs/dbraw/zinc/52/30/97/349523097.db2.gz NESKUTKXRQWTRB-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@@]1(C(=O)NCCSC)CCCCN1 ZINC000602436806 349523201 /nfs/dbraw/zinc/52/32/01/349523201.db2.gz QPIZTFOSOWYZMN-LLVKDONJSA-N 0 3 246.376 0.624 20 0 BCADHN c1ncc(CNCC2(N3CCOCC3)CC2)cn1 ZINC000277509972 538934168 /nfs/dbraw/zinc/93/41/68/538934168.db2.gz QWWMAIKSXXXZNK-UHFFFAOYSA-N 0 3 248.330 0.431 20 0 BCADHN C[C@H]1CN(C(=O)C2CCOCC2)[C@@H](C)CN1 ZINC000083118300 349523365 /nfs/dbraw/zinc/52/33/65/349523365.db2.gz NESKUTKXRQWTRB-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN CCC[C@@H](C)CC(=O)NCCN1CC[C@H](O)C1 ZINC000629912598 361765951 /nfs/dbraw/zinc/76/59/51/361765951.db2.gz JPUYMJJBHCFYPK-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN O=C(C[C@@H]1C=CCC1)NCCN1CC[C@H](O)C1 ZINC000629911434 361767086 /nfs/dbraw/zinc/76/70/86/361767086.db2.gz XGUWYLMLJZFRSX-NEPJUHHUSA-N 0 3 238.331 0.526 20 0 BCADHN O=C(CCC1CCC1)NCCN1CC[C@H](O)C1 ZINC000629914384 361767495 /nfs/dbraw/zinc/76/74/95/361767495.db2.gz QVICBHGVMXLEAJ-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN O=C(CCc1cn[nH]c1)N[C@H]1CCN(C2CC2)C1 ZINC000629952009 361798140 /nfs/dbraw/zinc/79/81/40/361798140.db2.gz HKAQCJPLJGYAJM-NSHDSACASA-N 0 3 248.330 0.695 20 0 BCADHN C(CN1CCC2(COC2)C1)OC1CCOCC1 ZINC000625558585 343990493 /nfs/dbraw/zinc/99/04/93/343990493.db2.gz PTNHBCMIAOFAPO-UHFFFAOYSA-N 0 3 241.331 0.904 20 0 BCADHN CN1CCC[C@H](NC(=O)CCc2cn[nH]c2)C1 ZINC000629951355 361798441 /nfs/dbraw/zinc/79/84/41/361798441.db2.gz UQAGCUCLJVZYQP-NSHDSACASA-N 0 3 236.319 0.553 20 0 BCADHN CCC(CC)CNC(=O)C(C)S(C)(=O)=O ZINC000104550780 168357559 /nfs/dbraw/zinc/35/75/59/168357559.db2.gz VNOWBXVJKOHEAS-MRVPVSSYSA-N 0 3 235.349 0.972 20 0 BCADHN Cn1cc(CCN2CC[C@@H]3COC[C@H]3C2)nn1 ZINC000625556883 343990637 /nfs/dbraw/zinc/99/06/37/343990637.db2.gz LZKGJKOXNIAJNL-GHMZBOCLSA-N 0 3 236.319 0.326 20 0 BCADHN N[C@@H](CNC(=O)NCCF)c1ccccc1 ZINC000418438308 192035903 /nfs/dbraw/zinc/03/59/03/192035903.db2.gz YWQISAUNFORPQQ-JTQLQIEISA-N 0 3 225.267 0.955 20 0 BCADHN CCN(C)CCNC(=O)CCc1c[nH]cn1 ZINC000280237948 538937388 /nfs/dbraw/zinc/93/73/88/538937388.db2.gz SWFKUUIHFMTHEI-UHFFFAOYSA-N 0 3 224.308 0.410 20 0 BCADHN CN(CC(=O)N1CCC[C@H](O)C1)C1CCC1 ZINC000629944565 361790305 /nfs/dbraw/zinc/79/03/05/361790305.db2.gz RDEBLDLPSMLBFI-NSHDSACASA-N 0 3 226.320 0.454 20 0 BCADHN COc1ccc(CNCC2(CO)CC2)cn1 ZINC000166807423 538939341 /nfs/dbraw/zinc/93/93/41/538939341.db2.gz NOFZAKPUNMUSNZ-UHFFFAOYSA-N 0 3 222.288 0.952 20 0 BCADHN CCN(C)CCNC(=O)c1csnn1 ZINC000076486780 398241363 /nfs/dbraw/zinc/24/13/63/398241363.db2.gz IVVFSTLACSFECQ-UHFFFAOYSA-N 0 3 214.294 0.220 20 0 BCADHN C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC000629976650 361820648 /nfs/dbraw/zinc/82/06/48/361820648.db2.gz RCPGXNPDNJJITQ-GXSJLCMTSA-N 0 3 226.320 0.310 20 0 BCADHN CS[C@@H]1CCCCN(CC(N)=O)C1 ZINC000134541082 398243687 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/nfs/dbraw/zinc/30/87/50/398308750.db2.gz LEWJIGHDVZZKPC-BDAKNGLRSA-N 0 3 200.282 0.280 20 0 BCADHN c1cn(CCCNCc2cn[nH]c2)cn1 ZINC000308866496 342874501 /nfs/dbraw/zinc/87/45/01/342874501.db2.gz XCOWOGGOUAKVHM-UHFFFAOYSA-N 0 3 205.265 0.786 20 0 BCADHN CC[C@H]1[C@@H](CO)CCN1CC(=O)NCC1CC1 ZINC000385952437 342877005 /nfs/dbraw/zinc/87/70/05/342877005.db2.gz XTZRZJSHHNZATB-NEPJUHHUSA-N 0 3 240.347 0.605 20 0 BCADHN CCN(CCc1cn(C)nn1)C[C@H]1CCCO1 ZINC000625122096 342877824 /nfs/dbraw/zinc/87/78/24/342877824.db2.gz JHRYYSGJSMGNBG-GFCCVEGCSA-N 0 3 238.335 0.859 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000583993987 342856388 /nfs/dbraw/zinc/85/63/88/342856388.db2.gz HEHNXTXVJJGXEL-ISUQUUIWSA-N 0 3 215.293 0.556 20 0 BCADHN C[C@@H](CCO)CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000073813091 342858363 /nfs/dbraw/zinc/85/83/63/342858363.db2.gz SZEMAGYPUMUNNY-WDEREUQCSA-N 0 3 243.351 0.398 20 0 BCADHN CCNC(=O)C(C)(C)NC[C@@H](CC)OC ZINC000312876172 259327511 /nfs/dbraw/zinc/32/75/11/259327511.db2.gz IRGMDRSNSLOGHG-SECBINFHSA-N 0 3 216.325 0.916 20 0 BCADHN CN(C)CC(C)(C)Nc1nccn(C)c1=O ZINC000308659675 342859663 /nfs/dbraw/zinc/85/96/63/342859663.db2.gz UMZAGDMQXUSNHQ-UHFFFAOYSA-N 0 3 224.308 0.532 20 0 BCADHN Cc1noc(NC(=O)N2C[C@@H](C)NC[C@H]2C)n1 ZINC000333172744 398316444 /nfs/dbraw/zinc/31/64/44/398316444.db2.gz OBRHMXSLCMUIOX-RNFRBKRXSA-N 0 3 239.279 0.014 20 0 BCADHN CC1(C)OCC[C@H]1N[C@H]1CCN(C2CC2)C1=O ZINC000336254647 398317600 /nfs/dbraw/zinc/31/76/00/398317600.db2.gz DXOPVUMTOUNPDG-WDEREUQCSA-N 0 3 238.331 0.907 20 0 BCADHN COC[C@@H](C)N[C@@H](Cc1ccccc1)C(N)=O ZINC000351387330 136245538 /nfs/dbraw/zinc/24/55/38/136245538.db2.gz PPTOYDNPESPMFK-PWSUYJOCSA-N 0 3 236.315 0.708 20 0 BCADHN Nc1nc(N)nc(NCC[C@H]2CC=CCC2)n1 ZINC000624593355 398318995 /nfs/dbraw/zinc/31/89/95/398318995.db2.gz DHADQXANZWHLCV-QMMMGPOBSA-N 0 3 234.307 0.277 20 0 BCADHN CCO[C@H](CN(CCO)CCOC)C1CC1 ZINC000625129816 342882494 /nfs/dbraw/zinc/88/24/94/342882494.db2.gz BIFLZQYTKQCUMX-GFCCVEGCSA-N 0 3 231.336 0.742 20 0 BCADHN CO[C@@H]1C[C@H](NCc2cnnn2C)C1(C)C ZINC000227830562 398321233 /nfs/dbraw/zinc/32/12/33/398321233.db2.gz ZJUIRWHOVZRSMU-VHSXEESVSA-N 0 3 224.308 0.718 20 0 BCADHN O=C1CCN(CCOC2CCOCC2)CCN1 ZINC000625134823 342885924 /nfs/dbraw/zinc/88/59/24/342885924.db2.gz FTHDLXACXRQJAA-UHFFFAOYSA-N 0 3 242.319 0.004 20 0 BCADHN Cn1cc(CCN2CCCC[C@@H]2CCO)nn1 ZINC000625136830 342887884 /nfs/dbraw/zinc/88/78/84/342887884.db2.gz PLILFUIHGFVPCU-GFCCVEGCSA-N 0 3 238.335 0.595 20 0 BCADHN Cn1cc(CCN2CCC[C@@H](CCO)C2)nn1 ZINC000625137252 342888174 /nfs/dbraw/zinc/88/81/74/342888174.db2.gz DMQAOZYYCRZIQP-NSHDSACASA-N 0 3 238.335 0.452 20 0 BCADHN COC1CC(C(=O)N2CCC[C@H]2CN(C)C)C1 ZINC000625141343 342890396 /nfs/dbraw/zinc/89/03/96/342890396.db2.gz OFGGFCYDMIQSIU-CXQJBGSLSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(C)C(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000035735546 342891108 /nfs/dbraw/zinc/89/11/08/342891108.db2.gz RARZXBCQGVMIKI-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)Nc1cnn(C)c1 ZINC000035738037 342891418 /nfs/dbraw/zinc/89/14/18/342891418.db2.gz BYSFMLHQLLPIKB-APPZFPTMSA-N 0 3 210.281 0.732 20 0 BCADHN CC1(CN2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000562340370 323017057 /nfs/dbraw/zinc/01/70/57/323017057.db2.gz TZDUPRMPCROXTR-VIFPVBQESA-N 0 3 209.293 0.496 20 0 BCADHN CCCCC(=O)NC[C@H]1CNCCO1 ZINC000036284953 342907301 /nfs/dbraw/zinc/90/73/01/342907301.db2.gz VGVLYKCGHJMVSR-SECBINFHSA-N 0 3 200.282 0.281 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)N2CCCOCC2)C1 ZINC000167439965 136246175 /nfs/dbraw/zinc/24/61/75/136246175.db2.gz JSRRMRNIHBJEFS-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CSC[C@@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000300769027 259328013 /nfs/dbraw/zinc/32/80/13/259328013.db2.gz XWPSZPZJHPQHRE-NXEZZACHSA-N 0 3 245.392 0.087 20 0 BCADHN C[C@@H](N)C(=O)NCCc1cccc(F)c1 ZINC000036779656 342911183 /nfs/dbraw/zinc/91/11/83/342911183.db2.gz FOKCTQXJOUVAQS-MRVPVSSYSA-N 0 3 210.252 0.832 20 0 BCADHN CCOC[C@@H]1CCN(CCc2cn(C)nn2)C1 ZINC000625207435 342912007 /nfs/dbraw/zinc/91/20/07/342912007.db2.gz KASXZKVLRLNGCF-LLVKDONJSA-N 0 3 238.335 0.716 20 0 BCADHN CN([C@@H]1CCN(C2CC2)C1=O)[C@@H]1CCC[C@H]1O ZINC000352660704 398323437 /nfs/dbraw/zinc/32/34/37/398323437.db2.gz PKHROPRVSFVYPM-IJLUTSLNSA-N 0 3 238.331 0.595 20 0 BCADHN COCC1CCN(CCc2cn(C)nn2)CC1 ZINC000625173680 342900587 /nfs/dbraw/zinc/90/05/87/342900587.db2.gz VGRJNGFRDGFKPW-UHFFFAOYSA-N 0 3 238.335 0.716 20 0 BCADHN Cn1cc(CCN(CCCO)C2CC2)nn1 ZINC000625173251 342900604 /nfs/dbraw/zinc/90/06/04/342900604.db2.gz CIWLPWCTKKVHBE-UHFFFAOYSA-N 0 3 224.308 0.204 20 0 BCADHN CCO[C@H]1CCCN(CCc2cn(C)nn2)C1 ZINC000625179731 342902644 /nfs/dbraw/zinc/90/26/44/342902644.db2.gz LGLGFVVMDYBUHP-LBPRGKRZSA-N 0 3 238.335 0.859 20 0 BCADHN CCN1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC000074726816 344008721 /nfs/dbraw/zinc/00/87/21/344008721.db2.gz OHESFLKKJAVLFP-UHFFFAOYSA-N 0 3 236.319 0.506 20 0 BCADHN CN1C(=O)N[C@]2(CCN([C@H]3C=CCCC3)C2)C1=O ZINC000264542071 398324127 /nfs/dbraw/zinc/32/41/27/398324127.db2.gz HVYUOUWPEZLBTJ-GWCFXTLKSA-N 0 3 249.314 0.721 20 0 BCADHN C[C@@H](O)CN(C)CCOC1CCOCC1 ZINC000625186652 342903827 /nfs/dbraw/zinc/90/38/27/342903827.db2.gz CUIMSCQDLOQJTK-SNVBAGLBSA-N 0 3 217.309 0.495 20 0 BCADHN CN(CCOCC1CC1)CCc1cn(C)nn1 ZINC000625225435 342922069 /nfs/dbraw/zinc/92/20/69/342922069.db2.gz MTHPCZYRDVJNPP-UHFFFAOYSA-N 0 3 238.335 0.716 20 0 BCADHN CC[C@@H](N)C(=O)NCCOC[C@H]1CCCO1 ZINC000129559005 344009741 /nfs/dbraw/zinc/00/97/41/344009741.db2.gz NEJSIKNVCPVAGJ-NXEZZACHSA-N 0 3 230.308 0.036 20 0 BCADHN CN[C@@H](C)C(=O)NCC(C)(C)CCOC ZINC000234423266 342924791 /nfs/dbraw/zinc/92/47/91/342924791.db2.gz JRUYHYXHMYMEBT-VIFPVBQESA-N 0 3 216.325 0.773 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)[C@H]1CCCNC(=O)C1 ZINC000602615666 349638275 /nfs/dbraw/zinc/63/82/75/349638275.db2.gz RJPSAGRRYMFLFL-LSYCYVAJSA-N 0 3 246.376 0.354 20 0 BCADHN CN[C@H](C)C(=O)N[C@@H]1CC[C@@H](OC)C1 ZINC000234431583 342925563 /nfs/dbraw/zinc/92/55/63/342925563.db2.gz HZHZSULPDCUGJN-IWSPIJDZSA-N 0 3 200.282 0.278 20 0 BCADHN Cn1ccnc1CNCCc1cncn1C ZINC000401730766 342926572 /nfs/dbraw/zinc/92/65/72/342926572.db2.gz UHQLWXQRUVMYOT-UHFFFAOYSA-N 0 3 219.292 0.486 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000234046504 342916923 /nfs/dbraw/zinc/91/69/23/342916923.db2.gz RDWAYHWDLPGRKS-HLTSFMKQSA-N 0 3 200.282 0.407 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000234017978 342916970 /nfs/dbraw/zinc/91/69/70/342916970.db2.gz RDWAYHWDLPGRKS-VGMNWLOBSA-N 0 3 200.282 0.407 20 0 BCADHN CC[C@@H](O)CN1CCC[C@@H](OCCO)C1 ZINC000173753677 346873361 /nfs/dbraw/zinc/87/33/61/346873361.db2.gz SGJCTTMFNLZCSG-GHMZBOCLSA-N 0 3 217.309 0.231 20 0 BCADHN CCN(CC)CCSc1nc(N)nc(N)n1 ZINC000309231021 342920045 /nfs/dbraw/zinc/92/00/45/342920045.db2.gz TUKXDORNYMOANB-UHFFFAOYSA-N 0 3 242.352 0.470 20 0 BCADHN CN(CCOC1CCOCC1)C[C@@H](O)C1CC1 ZINC000625224970 342921104 /nfs/dbraw/zinc/92/11/04/342921104.db2.gz SSZZPIPYBCJNEH-CYBMUJFWSA-N 0 3 243.347 0.885 20 0 BCADHN COC1CCN(CCN2CCOC[C@@H]2C)CC1 ZINC000351618295 136248352 /nfs/dbraw/zinc/24/83/52/136248352.db2.gz HMDJULXEWNQFAC-LBPRGKRZSA-N 0 3 242.363 0.818 20 0 BCADHN CC[C@]1(O)CCN(C(=O)/C=C\CN(C)C)C1 ZINC000492720229 529434079 /nfs/dbraw/zinc/43/40/79/529434079.db2.gz PNPHZRPKKPTBEU-FJOGCWAESA-N 0 3 226.320 0.478 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)N[C@@H](C)CN(C)C ZINC000512410321 529422551 /nfs/dbraw/zinc/42/25/51/529422551.db2.gz ISSOMMGBUWAYAH-OUAUKWLOSA-N 0 3 245.367 0.643 20 0 BCADHN C[C@H](CO)N(CC(=O)N(C)C)C1CCCC1 ZINC000351627362 136248714 /nfs/dbraw/zinc/24/87/14/136248714.db2.gz ITNDXFMSCZSSQY-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN COC(=O)c1cc(CNC[C@H](C)N(C)C)on1 ZINC000602594834 349643315 /nfs/dbraw/zinc/64/33/15/349643315.db2.gz UNQWOYVDSLYCOO-QMMMGPOBSA-N 0 3 241.291 0.501 20 0 BCADHN CN(Cc1ccncc1)C(=O)[C@@]1(F)CCNC1 ZINC000370814876 398327923 /nfs/dbraw/zinc/32/79/23/398327923.db2.gz RCBUIEKLSBZQKW-GFCCVEGCSA-N 0 3 237.278 0.742 20 0 BCADHN Cn1cc(NC(=O)C2(N)CCCC2)cn1 ZINC000037479495 398328293 /nfs/dbraw/zinc/32/82/93/398328293.db2.gz JNBKSZKOBLOYIB-UHFFFAOYSA-N 0 3 208.265 0.630 20 0 BCADHN CCN1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000037479414 398328364 /nfs/dbraw/zinc/32/83/64/398328364.db2.gz VIAXZMDUMLFWSA-UHFFFAOYSA-N 0 3 225.336 0.422 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)CC ZINC000129566257 344010297 /nfs/dbraw/zinc/01/02/97/344010297.db2.gz KNUYNTOHCWEVOG-XHNCKOQMSA-N 0 3 229.324 0.143 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CO[C@H](C)C1 ZINC000402125076 259330295 /nfs/dbraw/zinc/33/02/95/259330295.db2.gz HXFJBAFOGRMEJQ-AEJSXWLSSA-N 0 3 235.349 0.577 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@H]1c1noc(C)n1 ZINC000494868873 529441755 /nfs/dbraw/zinc/44/17/55/529441755.db2.gz QAQIARWNZWYYLE-IUCAKERBSA-N 0 3 238.291 0.779 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000650598355 398329267 /nfs/dbraw/zinc/32/92/67/398329267.db2.gz OJAZDFSXFGIZBF-UTUOFQBUSA-N 0 3 240.347 0.605 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1COCC1(C)C ZINC000313092937 259330964 /nfs/dbraw/zinc/33/09/64/259330964.db2.gz CDWYNFBOEHDHOG-SECBINFHSA-N 0 3 214.309 0.479 20 0 BCADHN CN(C)CCN1NC=C2[C@@H](C1=O)C2(F)F ZINC000634589073 342935154 /nfs/dbraw/zinc/93/51/54/342935154.db2.gz NGTYLUXYWOBLHJ-BQBZGAKWSA-N 0 3 217.219 0.257 20 0 BCADHN CN(C)CCN1NC=C2[C@H](C1=O)C2(F)F ZINC000634589075 342935355 /nfs/dbraw/zinc/93/53/55/342935355.db2.gz NGTYLUXYWOBLHJ-RNFRBKRXSA-N 0 3 217.219 0.257 20 0 BCADHN CO[C@H]1CN(CCc2ccncc2)C[C@@H]1OC ZINC000351654380 136249547 /nfs/dbraw/zinc/24/95/47/136249547.db2.gz YSNQUUYBTXXXNR-STQMWFEESA-N 0 3 236.315 0.970 20 0 BCADHN CC[C@@H](C)C[C@@H](CO)NCc1cnnn1C ZINC000647244369 398330442 /nfs/dbraw/zinc/33/04/42/398330442.db2.gz YKAOTMATTYAKNG-ZJUUUORDSA-N 0 3 226.324 0.702 20 0 BCADHN CN(CCN1C(=O)CCC1=O)C[C@H]1CCCO1 ZINC000121026395 398337555 /nfs/dbraw/zinc/33/75/55/398337555.db2.gz NDAHGMVPDQVRJD-SNVBAGLBSA-N 0 3 240.303 0.246 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCc1[nH]ncc1C ZINC000289511183 398337800 /nfs/dbraw/zinc/33/78/00/398337800.db2.gz NASPJLNXRHVUJT-SECBINFHSA-N 0 3 245.348 0.631 20 0 BCADHN COCCCCN1CCSC[C@H]1CO ZINC000351729103 136249877 /nfs/dbraw/zinc/24/98/77/136249877.db2.gz DCDJGKUVBQTOCP-SNVBAGLBSA-N 0 3 219.350 0.823 20 0 BCADHN CCC[C@H](NC(C)C)C(=O)Nc1nc(C)no1 ZINC000351727556 136249997 /nfs/dbraw/zinc/24/99/97/136249997.db2.gz XSRAOJKAYGOADC-VIFPVBQESA-N 0 3 240.307 0.905 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cnn(CC(F)F)c1 ZINC000310071256 398332166 /nfs/dbraw/zinc/33/21/66/398332166.db2.gz AEPFAXOTUQBDNI-ZETCQYMHSA-N 0 3 246.261 0.502 20 0 BCADHN O=C(CN1CCNCC1)Nc1ccc(O)cc1 ZINC000037631813 398333332 /nfs/dbraw/zinc/33/33/32/398333332.db2.gz IBVNKGNLLRDAKJ-UHFFFAOYSA-N 0 3 235.287 0.236 20 0 BCADHN CO[C@]1(C)C[C@@H](NC(=O)C2(N)CC2)C1(C)C ZINC000237266850 398333508 /nfs/dbraw/zinc/33/35/08/398333508.db2.gz KKNVCQVXSVUUPW-LDYMZIIASA-N 0 3 226.320 0.798 20 0 BCADHN CCC[C@](C)(N)C(=O)NC[C@@H]1CCCO1 ZINC000037481273 342937994 /nfs/dbraw/zinc/93/79/94/342937994.db2.gz BDSLDLYNVQIUEK-ONGXEEELSA-N 0 3 214.309 0.799 20 0 BCADHN CN(CCC(C)(C)O)[C@@H]1CCC(=O)N(C)C1 ZINC000580308864 346887876 /nfs/dbraw/zinc/88/78/76/346887876.db2.gz AJMIOVAWLKFGQW-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000040460177 259332003 /nfs/dbraw/zinc/33/20/03/259332003.db2.gz LTKXTDXNYHPXQE-AEJSXWLSSA-N 0 3 214.309 0.606 20 0 BCADHN C[C@@H](N(C)C(=O)CN1CCNCC1)C(C)(C)C ZINC000037807228 398334463 /nfs/dbraw/zinc/33/44/63/398334463.db2.gz PYEBDDGGXNUVHU-LLVKDONJSA-N 0 3 241.379 0.785 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000037820136 398334651 /nfs/dbraw/zinc/33/46/51/398334651.db2.gz IMSUHHRKQOCSNF-NXEZZACHSA-N 0 3 236.319 0.853 20 0 BCADHN CCOc1cccc(CN[C@@H]2COC[C@@H]2O)c1 ZINC000037894645 398335101 /nfs/dbraw/zinc/33/51/01/398335101.db2.gz ZMLRSTPJYJBMRL-OLZOCXBDSA-N 0 3 237.299 0.935 20 0 BCADHN C[C@H](N[C@@H]1COC[C@@H]1O)c1ccncc1 ZINC000037889184 398335136 /nfs/dbraw/zinc/33/51/36/398335136.db2.gz OURUUDHLCHXVQR-GDPRMGEGSA-N 0 3 208.261 0.492 20 0 BCADHN O[C@H](CNCc1cccnc1)Cn1cccn1 ZINC000037883762 398335144 /nfs/dbraw/zinc/33/51/44/398335144.db2.gz UZGQGNGGEGMRBX-GFCCVEGCSA-N 0 3 232.287 0.429 20 0 BCADHN Cc1noc(CNC(=O)C2(N)CCCC2)n1 ZINC000038034993 398335818 /nfs/dbraw/zinc/33/58/18/398335818.db2.gz PGXBQOWPWJJONB-UHFFFAOYSA-N 0 3 224.264 0.266 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NC[C@H]1CCOC1 ZINC000037739141 342946757 /nfs/dbraw/zinc/94/67/57/342946757.db2.gz CKUHFADXAZJVFX-NXEZZACHSA-N 0 3 214.309 0.513 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NC[C@@H]1CCOC1 ZINC000037739139 342946782 /nfs/dbraw/zinc/94/67/82/342946782.db2.gz CKUHFADXAZJVFX-VHSXEESVSA-N 0 3 214.309 0.513 20 0 BCADHN COC(=O)c1cc(CN[C@H]2C[C@@H](O)C2)[nH]c1C ZINC000602683456 349675189 /nfs/dbraw/zinc/67/51/89/349675189.db2.gz ZUAXFRFNUNQVIQ-WAAGHKOSSA-N 0 3 238.287 0.723 20 0 BCADHN C[C@@H]1CN(CCOC[C@H]2CCCO2)CC[C@@H]1O ZINC000562509720 323022318 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BCADHN CCN(C#N)CCN[C@H]1COCC1(C)C ZINC000602842115 349780331 /nfs/dbraw/zinc/78/03/31/349780331.db2.gz XAWYEJNIAFZRQU-JTQLQIEISA-N 0 3 211.309 0.804 20 0 BCADHN NS(=O)(=O)C[C@H]1CCCN1CCCCF ZINC000351877087 136261840 /nfs/dbraw/zinc/26/18/40/136261840.db2.gz APLZIYJZOJVVDQ-SECBINFHSA-N 0 3 238.328 0.489 20 0 BCADHN CCN(C#N)CCN1CCC[C@]1(C)CO ZINC000602806264 349769586 /nfs/dbraw/zinc/76/95/86/349769586.db2.gz DQQHCGNTRMZMFT-LLVKDONJSA-N 0 3 211.309 0.636 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000309407574 259343309 /nfs/dbraw/zinc/34/33/09/259343309.db2.gz IDKAVGJGKKLGPY-NXEZZACHSA-N 0 3 214.309 0.607 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@H](C(C)C)C1 ZINC000309407581 259343392 /nfs/dbraw/zinc/34/33/92/259343392.db2.gz IDKAVGJGKKLGPY-ZJUUUORDSA-N 0 3 214.309 0.607 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1cc(F)cc(F)c1 ZINC000060717364 343046170 /nfs/dbraw/zinc/04/61/70/343046170.db2.gz JWDJPCIZMUEJQN-WDEREUQCSA-N 0 3 240.253 0.971 20 0 BCADHN O=C(CC1CCOCC1)N1CCCNCC1 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246.376 0.530 20 0 BCADHN C[C@H](O)[C@H]1CCCN(CCc2cn(C)nn2)C1 ZINC000625263679 343145673 /nfs/dbraw/zinc/14/56/73/343145673.db2.gz SIXJOVNUYSRDQH-QWRGUYRKSA-N 0 3 238.335 0.450 20 0 BCADHN CN(C)C1(CNc2cc(=O)n(C)cn2)CC1 ZINC000576885215 365714593 /nfs/dbraw/zinc/71/45/93/365714593.db2.gz AVCVTTRIEFRPMA-UHFFFAOYSA-N 0 3 222.292 0.286 20 0 BCADHN O=C(c1c[nH]c2ncccc12)N1CCCNCC1 ZINC000169930864 136270106 /nfs/dbraw/zinc/27/01/06/136270106.db2.gz VDFLXKKIJRPAPL-UHFFFAOYSA-N 0 3 244.298 0.998 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000576976549 365740100 /nfs/dbraw/zinc/74/01/00/365740100.db2.gz BQHJSCWOWJTHAL-YNEHKIRRSA-N 0 3 246.310 0.934 20 0 BCADHN CO[C@H]1C[C@@H](C(N)=O)N(C[C@H]2C[C@H]2C)C1 ZINC000408032897 136273106 /nfs/dbraw/zinc/27/31/06/136273106.db2.gz DMNPBFGZVAXHFA-IMSYWVGJSA-N 0 3 212.293 0.217 20 0 BCADHN C[C@H]1C[C@H]1CN1CCC(CS(N)(=O)=O)CC1 ZINC000625271298 343178962 /nfs/dbraw/zinc/17/89/62/343178962.db2.gz WBNIKMWXZIVPSA-ONGXEEELSA-N 0 3 246.376 0.643 20 0 BCADHN O[C@@H](CNCc1ccoc1)Cn1cccn1 ZINC000130655865 343181924 /nfs/dbraw/zinc/18/19/24/343181924.db2.gz IDMYXJAHPDSUDI-NSHDSACASA-N 0 3 221.260 0.627 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)NC1CCCC1 ZINC000129633575 343184187 /nfs/dbraw/zinc/18/41/87/343184187.db2.gz QBOMDLPKQMSELC-WDEREUQCSA-N 0 3 240.347 0.794 20 0 BCADHN O=C(C[C@H]1CCCCO1)NC[C@H]1CNCCO1 ZINC000095031634 343154474 /nfs/dbraw/zinc/15/44/74/343154474.db2.gz XDEWKOSFFSLJSA-GHMZBOCLSA-N 0 3 242.319 0.050 20 0 BCADHN CN1CCN(C(=O)c2ccccc2[O-])[C@H](C[NH3+])C1 ZINC000122586440 343160302 /nfs/dbraw/zinc/16/03/02/343160302.db2.gz JDHKFLPWRXZHOU-SNVBAGLBSA-N 0 3 249.314 0.107 20 0 BCADHN Cc1cccc(C(=O)N2CCN(C)C[C@@H]2CN)n1 ZINC000122646989 343160997 /nfs/dbraw/zinc/16/09/97/343160997.db2.gz UYYDNUXVUZZCAC-NSHDSACASA-N 0 3 248.330 0.105 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CC[C@@H](C)[C@H](O)C1 ZINC000299891413 136272568 /nfs/dbraw/zinc/27/25/68/136272568.db2.gz RGAMBMUZUHVACK-KXUCPTDWSA-N 0 3 214.309 0.166 20 0 BCADHN Cn1ncnc1NC(=O)[C@H](CN)c1ccccc1 ZINC000127309787 343172435 /nfs/dbraw/zinc/17/24/35/343172435.db2.gz JMVQNLBLBDJDQL-SNVBAGLBSA-N 0 3 245.286 0.496 20 0 BCADHN CC(C)NCC(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000638696905 352535384 /nfs/dbraw/zinc/53/53/84/352535384.db2.gz WDQYJMTXYDXMCQ-MNOVXSKESA-N 0 3 226.320 0.668 20 0 BCADHN NC1(C(=O)NCCCCn2ccnc2)CCC1 ZINC000148198044 343195901 /nfs/dbraw/zinc/19/59/01/343195901.db2.gz OPVAWMYZTNRAKO-UHFFFAOYSA-N 0 3 236.319 0.661 20 0 BCADHN NC(=O)c1cccc(CNC(=O)C2(N)CCC2)c1 ZINC000148111228 343195939 /nfs/dbraw/zinc/19/59/39/343195939.db2.gz GANYXWCQDYOOGR-UHFFFAOYSA-N 0 3 247.298 0.283 20 0 BCADHN C[C@@H](C(=O)N1CCN(C)C[C@@H]1CN)C1CC1 ZINC000149117046 343196669 /nfs/dbraw/zinc/19/66/69/343196669.db2.gz PZBMAKLJVNBBNB-KOLCDFICSA-N 0 3 225.336 0.134 20 0 BCADHN CN(CC(=O)NC(C)(C)C)C(=O)C1(N)CCC1 ZINC000147851788 343198419 /nfs/dbraw/zinc/19/84/19/343198419.db2.gz ASHVSWHAERQBLS-UHFFFAOYSA-N 0 3 241.335 0.241 20 0 BCADHN OCCC1(CNC[C@@H](O)C(F)(F)F)CC1 ZINC000156796013 343198639 /nfs/dbraw/zinc/19/86/39/343198639.db2.gz FMIXCADWJPVQED-SSDOTTSWSA-N 0 3 227.226 0.662 20 0 BCADHN CO[C@]1(CNC[C@@H](O)C(F)(F)F)CCOC1 ZINC000159123986 343201918 /nfs/dbraw/zinc/20/19/18/343201918.db2.gz LMCQTYKSGFNGRN-SFYZADRCSA-N 0 3 243.225 0.305 20 0 BCADHN COCCOCCCCNC(=O)C1(N)CCC1 ZINC000159235769 343201947 /nfs/dbraw/zinc/20/19/47/343201947.db2.gz JVAXGPWRIDHWDY-UHFFFAOYSA-N 0 3 244.335 0.427 20 0 BCADHN C[C@@H](O)[C@@H](C)NCC(=O)N1CCCCC1 ZINC000161603837 343204581 /nfs/dbraw/zinc/20/45/81/343204581.db2.gz WWTSUXWVRLGUDU-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000163610140 343207277 /nfs/dbraw/zinc/20/72/77/343207277.db2.gz MFRXEGSVEZFHKC-OPRDCNLKSA-N 0 3 246.376 0.487 20 0 BCADHN CCC([NH3+])(CC)CNC(=O)c1c[n-]nn1 ZINC000168492981 343209971 /nfs/dbraw/zinc/20/99/71/343209971.db2.gz LBBNNVBGCNVGTF-UHFFFAOYSA-N 0 3 211.269 0.052 20 0 BCADHN CCC([NH3+])(CC)CNC(=O)c1cnn[n-]1 ZINC000168492981 343209973 /nfs/dbraw/zinc/20/99/73/343209973.db2.gz LBBNNVBGCNVGTF-UHFFFAOYSA-N 0 3 211.269 0.052 20 0 BCADHN CCC([NH3+])(CC)CNC(=O)c1cn[n-]n1 ZINC000168492981 343209975 /nfs/dbraw/zinc/20/99/75/343209975.db2.gz LBBNNVBGCNVGTF-UHFFFAOYSA-N 0 3 211.269 0.052 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CCCNC1=O ZINC000166411216 343213078 /nfs/dbraw/zinc/21/30/78/343213078.db2.gz NJPGLGFFVOJIHA-HRDYMLBCSA-N 0 3 212.293 0.014 20 0 BCADHN CC[C@H]1CN(CCc2cn(C)nn2)C[C@H]1O ZINC000625277919 343217430 /nfs/dbraw/zinc/21/74/30/343217430.db2.gz TXBHFBLGAXFFMZ-GXSJLCMTSA-N 0 3 224.308 0.060 20 0 BCADHN CCO[C@H](CN1CC[C@@H](NC(N)=O)C1)C1CC1 ZINC000625278223 343218159 /nfs/dbraw/zinc/21/81/59/343218159.db2.gz RMJPJMWGBSOIAI-GHMZBOCLSA-N 0 3 241.335 0.544 20 0 BCADHN Cn1cc(CCN2CCN(C)CC2(C)C)nn1 ZINC000625280907 343218944 /nfs/dbraw/zinc/21/89/44/343218944.db2.gz QEDYPSJSEPRPQK-UHFFFAOYSA-N 0 3 237.351 0.384 20 0 BCADHN C[C@H](NC(=O)N(C)CCN(C)C)C(F)F ZINC000641014289 362130647 /nfs/dbraw/zinc/13/06/47/362130647.db2.gz DTJHAQYPMJXXJR-ZETCQYMHSA-N 0 3 223.267 0.843 20 0 BCADHN C[C@@H]1C[C@H](O)CN1CCOC1CCOCC1 ZINC000625272626 343195000 /nfs/dbraw/zinc/19/50/00/343195000.db2.gz GOVBLWKFZBASGV-MNOVXSKESA-N 0 3 229.320 0.637 20 0 BCADHN C[C@H]1C[C@H](O)CN1CCOC1CCOCC1 ZINC000625272627 343195019 /nfs/dbraw/zinc/19/50/19/343195019.db2.gz GOVBLWKFZBASGV-QWRGUYRKSA-N 0 3 229.320 0.637 20 0 BCADHN COC1CC(C(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000625295689 343224207 /nfs/dbraw/zinc/22/42/07/343224207.db2.gz CSCMGCKWTFGGJI-HSOILSAZSA-N 0 3 226.320 0.622 20 0 BCADHN CCN(C[C@H]1CCCO1)C[C@@H]1CNCCO1 ZINC000043802682 488208840 /nfs/dbraw/zinc/20/88/40/488208840.db2.gz NEYZOPKYPVYAFT-NEPJUHHUSA-N 0 3 228.336 0.476 20 0 BCADHN O=S1(=O)CCC[C@H]1CN[C@@H]1CCCOC1 ZINC000087970131 136282617 /nfs/dbraw/zinc/28/26/17/136282617.db2.gz IYLSLBKEMXGTTG-ZJUUUORDSA-N 0 3 233.333 0.332 20 0 BCADHN C[C@H](CO)[C@H](C)NCC(=O)NCC(C)(C)C ZINC000625324945 343233065 /nfs/dbraw/zinc/23/30/65/343233065.db2.gz CZEWYWKICGJVCY-ZJUUUORDSA-N 0 3 230.352 0.755 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCC(=O)NCC(C)(C)C ZINC000625324944 343233160 /nfs/dbraw/zinc/23/31/60/343233160.db2.gz CZEWYWKICGJVCY-VHSXEESVSA-N 0 3 230.352 0.755 20 0 BCADHN COCC1=CCN(CCc2cn(C)nn2)CC1 ZINC000625336982 343240267 /nfs/dbraw/zinc/24/02/67/343240267.db2.gz ZQNNPXDAFHFRSK-UHFFFAOYSA-N 0 3 236.319 0.636 20 0 BCADHN Cn1cc(CCN(CC(C)(C)O)C2CC2)nn1 ZINC000625339856 343240942 /nfs/dbraw/zinc/24/09/42/343240942.db2.gz IERLMAZLDCOSNJ-UHFFFAOYSA-N 0 3 238.335 0.593 20 0 BCADHN Cn1cc(CCN2CCC[C@@H]2CCO)nn1 ZINC000625348924 343244708 /nfs/dbraw/zinc/24/47/08/343244708.db2.gz RBNZGVCRQFWMQU-LLVKDONJSA-N 0 3 224.308 0.204 20 0 BCADHN Cn1nccc1CCN1CCNC[C@@](C)(F)C1 ZINC000634688103 343247630 /nfs/dbraw/zinc/24/76/30/343247630.db2.gz IGXURZMQJOESHQ-GFCCVEGCSA-N 0 3 240.326 0.596 20 0 BCADHN Cn1cc(CCN(CCO)C2CCC2)nn1 ZINC000625359117 343248543 /nfs/dbraw/zinc/24/85/43/343248543.db2.gz FPVADLFAEXXNPM-UHFFFAOYSA-N 0 3 224.308 0.204 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@]1(C)CCCCN1 ZINC000163696528 136279811 /nfs/dbraw/zinc/27/98/11/136279811.db2.gz MQGSTIPDJNXLOT-PWSUYJOCSA-N 0 3 228.336 0.796 20 0 BCADHN CC(C)(C)[C@@H](N)c1cn(CCn2cncn2)nn1 ZINC000641026771 362139844 /nfs/dbraw/zinc/13/98/44/362139844.db2.gz ZKJAHRCOEBBUDG-JTQLQIEISA-N 0 3 249.322 0.616 20 0 BCADHN CCOC[C@@H](C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000068940238 343253378 /nfs/dbraw/zinc/25/33/78/343253378.db2.gz NFRRIHKWHNUDHP-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN O=S1(=O)CCC[C@@H](N[C@H]2CCCC[C@H]2O)C1 ZINC000068940358 343253433 /nfs/dbraw/zinc/25/34/33/343253433.db2.gz MQQNYEUODOKTTG-OUAUKWLOSA-N 0 3 247.360 0.457 20 0 BCADHN CCOC[C@H](C)N[C@H]1CCCS(=O)(=O)C1 ZINC000068940243 343253444 /nfs/dbraw/zinc/25/34/44/343253444.db2.gz NFRRIHKWHNUDHP-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN O=S(=O)(N[C@H]1CCCNC1)N1CCCCC1 ZINC000020255669 343284134 /nfs/dbraw/zinc/28/41/34/343284134.db2.gz ZFFKYZCCIOFQRB-JTQLQIEISA-N 0 3 247.364 0.059 20 0 BCADHN COCC1CCN(CCC(=O)OC)CC1 ZINC000069631874 343287134 /nfs/dbraw/zinc/28/71/34/343287134.db2.gz VZEFRCZZFTUBLZ-UHFFFAOYSA-N 0 3 215.293 0.908 20 0 BCADHN CC[C@H](N)C(=O)NCc1cccc(C)n1 ZINC000051576807 343258786 /nfs/dbraw/zinc/25/87/86/343258786.db2.gz HRBYFQLXNBZYDW-JTQLQIEISA-N 0 3 207.277 0.744 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000084091203 136290121 /nfs/dbraw/zinc/29/01/21/136290121.db2.gz RIAGZGIIIGTBKC-ZJUUUORDSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@H](C)OC[C@H]1CC ZINC000084200011 136290758 /nfs/dbraw/zinc/29/07/58/136290758.db2.gz RGUYXKAJAPLAEC-AEJSXWLSSA-N 0 3 214.309 0.750 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCCC2)C[C@H]1CO ZINC000621363760 343267387 /nfs/dbraw/zinc/26/73/87/343267387.db2.gz WYYINZPCMXINNT-NEPJUHHUSA-N 0 3 240.347 0.559 20 0 BCADHN Cc1cc(C(=O)NC[C@@H](C)N(C)C)[nH]n1 ZINC000068064348 362149894 /nfs/dbraw/zinc/14/98/94/362149894.db2.gz NWNGHULCBPORIV-MRVPVSSYSA-N 0 3 210.281 0.398 20 0 BCADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000034601660 343275949 /nfs/dbraw/zinc/27/59/49/343275949.db2.gz BSPYGNIRRUZXCI-BDAKNGLRSA-N 0 3 230.308 0.428 20 0 BCADHN c1c[nH]c(CNCCCn2ccnn2)n1 ZINC000163776873 136287111 /nfs/dbraw/zinc/28/71/11/136287111.db2.gz ZCPUQZFYKWDPSO-UHFFFAOYSA-N 0 3 206.253 0.181 20 0 BCADHN COC[C@H](CNCc1ccc(=O)[nH]c1)OC ZINC000631109658 343320568 /nfs/dbraw/zinc/32/05/68/343320568.db2.gz GTHZDXQIPWNNDP-JTQLQIEISA-N 0 3 226.276 0.538 20 0 BCADHN CC[C@@H](C(=O)OC)N1CCN(CC2CC2)CC1 ZINC000052165217 343320773 /nfs/dbraw/zinc/32/07/73/343320773.db2.gz VQMNSIPQFCUCCN-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](O)[C@H](C)NCC1(S(C)(=O)=O)CCCC1 ZINC000576978971 365741874 /nfs/dbraw/zinc/74/18/74/365741874.db2.gz DMYKRQXHXIOREK-UWVGGRQHSA-N 0 3 249.376 0.703 20 0 BCADHN COCCOCCN(C)C[C@@H](C)C(=O)OC ZINC000070482970 343328650 /nfs/dbraw/zinc/32/86/50/343328650.db2.gz SRSFRNGTFHPWLC-SNVBAGLBSA-N 0 3 233.308 0.390 20 0 BCADHN C[C@H](Cn1ccnc1)NC(=O)[C@H]1CCCCN1 ZINC000036999320 343330052 /nfs/dbraw/zinc/33/00/52/343330052.db2.gz JVYRBNWAIPAAJH-GHMZBOCLSA-N 0 3 236.319 0.530 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CCO[C@@H](C)C1 ZINC000069861813 343293226 /nfs/dbraw/zinc/29/32/26/343293226.db2.gz CXMJFBNERGJUDF-VHSXEESVSA-N 0 3 214.309 0.668 20 0 BCADHN CCCNC(=O)CN[C@H]1CCO[C@@H](C)C1 ZINC000069861786 343293277 /nfs/dbraw/zinc/29/32/77/343293277.db2.gz MLEPVELJFXLECT-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN CO[C@@H](C)CN1CCN2CCOC[C@@H]2C1 ZINC000348767728 136298105 /nfs/dbraw/zinc/29/81/05/136298105.db2.gz XQBJBNGRWJLKCZ-QWRGUYRKSA-N 0 3 214.309 0.038 20 0 BCADHN CCN1C[C@H](C)N(Cc2nncn2C)[C@@H](C)C1 ZINC000584038947 343298036 /nfs/dbraw/zinc/29/80/36/343298036.db2.gz FOCJJIVVZMAXPP-QWRGUYRKSA-N 0 3 237.351 0.730 20 0 BCADHN CC(C)[C@H](N)c1cn(Cc2cn(C)cn2)nn1 ZINC000641054451 362162883 /nfs/dbraw/zinc/16/28/83/362162883.db2.gz ZOVFSSVHNTUMCD-NSHDSACASA-N 0 3 234.307 0.716 20 0 BCADHN CCC[C@@H](C)[C@H](CO)NCC(=O)NCC1CC1 ZINC000584056524 343308420 /nfs/dbraw/zinc/30/84/20/343308420.db2.gz UBTAVJFIOAXQAA-PWSUYJOCSA-N 0 3 242.363 0.899 20 0 BCADHN C[C@@H]1CCN(Cc2cn[nH]c2)C[C@H]1CO ZINC000621371408 343308618 /nfs/dbraw/zinc/30/86/18/343308618.db2.gz CKLAGQVGKGHPFU-KOLCDFICSA-N 0 3 209.293 0.860 20 0 BCADHN CC(C)OC[C@H](O)CN(CCO)C1CC1 ZINC000070190759 343309383 /nfs/dbraw/zinc/30/93/83/343309383.db2.gz ZQKPFVLXXTYRSD-LLVKDONJSA-N 0 3 217.309 0.229 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2cn(C)cn2)nn1 ZINC000641053781 362163879 /nfs/dbraw/zinc/16/38/79/362163879.db2.gz NUWMSJLSRZSHKP-NSHDSACASA-N 0 3 234.307 0.644 20 0 BCADHN C[C@]1(CO)CCCN1C[C@H](O)C(F)(F)F ZINC000122201429 343310687 /nfs/dbraw/zinc/31/06/87/343310687.db2.gz KELPOSRFKFOSAB-JGVFFNPUSA-N 0 3 227.226 0.756 20 0 BCADHN COC(=O)[C@@]1(C)CCN(C(=O)CNC(C)C)C1 ZINC000584064977 343312650 /nfs/dbraw/zinc/31/26/50/343312650.db2.gz SVSVCBQRWIYWRB-LBPRGKRZSA-N 0 3 242.319 0.396 20 0 BCADHN CCN(CC)[C@@H](C)C(=O)NC(=O)NC ZINC000072591916 343355323 /nfs/dbraw/zinc/35/53/23/343355323.db2.gz UZIJQFHYKBMIAS-ZETCQYMHSA-N 0 3 201.270 0.172 20 0 BCADHN CC[C@H]1CN(CCc2cn(C)nn2)CCCO1 ZINC000625390478 343368396 /nfs/dbraw/zinc/36/83/96/343368396.db2.gz YYJPIUIYKCEBOW-LBPRGKRZSA-N 0 3 238.335 0.859 20 0 BCADHN CC1(C)CN(C(=O)C2([NH3+])CCCC2)CCN1 ZINC000335626734 136299970 /nfs/dbraw/zinc/29/99/70/136299970.db2.gz HGYTUJNAQDQYOQ-UHFFFAOYSA-N 0 3 225.336 0.468 20 0 BCADHN CC1(C)CN(C(=O)C2(N)CCCC2)CCN1 ZINC000335626734 136299971 /nfs/dbraw/zinc/29/99/71/136299971.db2.gz HGYTUJNAQDQYOQ-UHFFFAOYSA-N 0 3 225.336 0.468 20 0 BCADHN C[C@@H](CNC(=O)[C@H](N)Cc1ccccc1)N(C)C ZINC000038089224 343370326 /nfs/dbraw/zinc/37/03/26/343370326.db2.gz LCGLZGUTFIYPSW-WCQYABFASA-N 0 3 249.358 0.623 20 0 BCADHN O=C(N[C@@H]1CC[C@H](F)C1)N1CCCNCC1 ZINC000335631934 136300205 /nfs/dbraw/zinc/30/02/05/136300205.db2.gz CWADCVMDJSLHTA-VHSXEESVSA-N 0 3 229.299 0.882 20 0 BCADHN CO[C@@H]1CCN(CCc2cn(C)nn2)[C@@H](C)C1 ZINC000625393694 343375962 /nfs/dbraw/zinc/37/59/62/343375962.db2.gz MQSOMHWZCGTHNG-CMPLNLGQSA-N 0 3 238.335 0.857 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(CC)[C@@H]1CCOC1 ZINC000310186880 343377496 /nfs/dbraw/zinc/37/74/96/343377496.db2.gz YRFBFZLMJLZDHD-GHMZBOCLSA-N 0 3 245.319 0.411 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CCCN(c2ccccn2)C1 ZINC000367062460 136302532 /nfs/dbraw/zinc/30/25/32/136302532.db2.gz NBAOTLSRJIPGPC-MNOVXSKESA-N 0 3 248.330 0.514 20 0 BCADHN C[C@H]1C[C@H](NC(=O)Cn2ccnc2)CCN1C ZINC000584087208 343377945 /nfs/dbraw/zinc/37/79/45/343377945.db2.gz RAXWAFUZPUYPNQ-WDEREUQCSA-N 0 3 236.319 0.482 20 0 BCADHN Cc1[nH]nc2ncc(CN(C)CCC(N)=O)cc12 ZINC000348833305 136303615 /nfs/dbraw/zinc/30/36/15/136303615.db2.gz MCMMRZVYOPQHKM-UHFFFAOYSA-N 0 3 247.302 0.574 20 0 BCADHN [O-]c1cc(F)cc(CN[C@@H]2CC[NH2+]C2)c1 ZINC000335644403 136303725 /nfs/dbraw/zinc/30/37/25/136303725.db2.gz UZTONSFCTZBGSD-SNVBAGLBSA-N 0 3 210.252 0.983 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)Cc1ccn(C)n1 ZINC000335644125 136303873 /nfs/dbraw/zinc/30/38/73/136303873.db2.gz OLEHTVBZDCXPBU-VHSXEESVSA-N 0 3 236.319 0.171 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cnn3c2CCC3)[C@H]1C ZINC000335644079 136304062 /nfs/dbraw/zinc/30/40/62/136304062.db2.gz OKJHJNVACSZKGF-UWVGGRQHSA-N 0 3 248.330 0.652 20 0 BCADHN CCNC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000335648336 136304401 /nfs/dbraw/zinc/30/44/01/136304401.db2.gz HNALWOAZKOKARW-JGVFFNPUSA-N 0 3 215.297 0.419 20 0 BCADHN [O-]c1cccnc1C[NH+]1CCC(O)CC1 ZINC000584079896 343348775 /nfs/dbraw/zinc/34/87/75/343348775.db2.gz DINNAXNBPAPFKR-UHFFFAOYSA-N 0 3 208.261 0.744 20 0 BCADHN Cn1cc(NC(=O)[C@H]2CCCCN2)ccc1=O ZINC000037770247 343354630 /nfs/dbraw/zinc/35/46/30/343354630.db2.gz XAJFQHNLDRTUJS-SNVBAGLBSA-N 0 3 235.287 0.466 20 0 BCADHN C[C@@H](CN1CCCC1=O)NCc1ccnn1C ZINC000037782785 343355139 /nfs/dbraw/zinc/35/51/39/343355139.db2.gz FDCWXBWGPDSVOW-JTQLQIEISA-N 0 3 236.319 0.521 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N[C@@H]1CCSC1 ZINC000335678926 136319275 /nfs/dbraw/zinc/31/92/75/136319275.db2.gz OGZITNINHMFOJZ-ZJUUUORDSA-N 0 3 243.376 0.885 20 0 BCADHN O=C([C@H]1CCCCN1)N1CCc2n[nH]cc2C1 ZINC000335655241 136306740 /nfs/dbraw/zinc/30/67/40/136306740.db2.gz AWLZNKBSUBOARX-LLVKDONJSA-N 0 3 234.303 0.437 20 0 BCADHN NCC(=O)N1CCC(Cc2cccnc2)CC1 ZINC000335659501 136307776 /nfs/dbraw/zinc/30/77/76/136307776.db2.gz XPELRIKTHKHCLB-UHFFFAOYSA-N 0 3 233.315 0.821 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@@H]1CCCN(CC)C1 ZINC000488036299 529705852 /nfs/dbraw/zinc/70/58/52/529705852.db2.gz AMHIENFPNIGVIF-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN CC/C=C/CNC(=O)N1CCCNCC1 ZINC000335641664 136308708 /nfs/dbraw/zinc/30/87/08/136308708.db2.gz VNZWAKXEZYBMSL-ONEGZZNKSA-N 0 3 211.309 0.958 20 0 BCADHN C[C@@H]1CCCCN1C(=O)CCOC1CNC1 ZINC000349029118 136319363 /nfs/dbraw/zinc/31/93/63/136319363.db2.gz QEFLKVSKRRZWFL-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CCCN(C)CC(=O)N(C)CCn1cccn1 ZINC000348952367 136310314 /nfs/dbraw/zinc/31/03/14/136310314.db2.gz VLSBLNWSBDKUKQ-UHFFFAOYSA-N 0 3 238.335 0.683 20 0 BCADHN C[C@H]1CN(C(=O)CCOC2CNC2)C[C@@H]1C ZINC000349010563 136311440 /nfs/dbraw/zinc/31/14/40/136311440.db2.gz YEHJYDDHCXQPEM-UWVGGRQHSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@@H](NC(=O)CCOC1CNC1)c1ccccn1 ZINC000349011619 136311516 /nfs/dbraw/zinc/31/15/16/136311516.db2.gz ZBYWGOIPFNRFLL-SNVBAGLBSA-N 0 3 249.314 0.637 20 0 BCADHN CCN1CCCN(CC(=O)N2CCC2)CC1 ZINC000335669113 136312660 /nfs/dbraw/zinc/31/26/60/136312660.db2.gz XURIMGZZPZKIPV-UHFFFAOYSA-N 0 3 225.336 0.246 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)[C@@]1(C)CCOC1 ZINC000335672068 136313515 /nfs/dbraw/zinc/31/35/15/136313515.db2.gz GDVQPJIYAVLURN-YPMHNXCESA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](C)[C@@H](C)NC(=O)CCOC1CNC1 ZINC000348994991 136314161 /nfs/dbraw/zinc/31/41/61/136314161.db2.gz UUUVCZOSKZFAMI-NXEZZACHSA-N 0 3 228.336 0.916 20 0 BCADHN Cc1ncccc1NC(=O)CCOC1CNC1 ZINC000348991322 136314186 /nfs/dbraw/zinc/31/41/86/136314186.db2.gz NQDDQNYSYRSDAS-UHFFFAOYSA-N 0 3 235.287 0.707 20 0 BCADHN Cc1n[nH]c(C)c1NC(=O)CCOC1CNC1 ZINC000348989475 136314323 /nfs/dbraw/zinc/31/43/23/136314323.db2.gz JESNGFZTUFUGQN-UHFFFAOYSA-N 0 3 238.291 0.344 20 0 BCADHN CSCCN(C)CCN1CCOCC1 ZINC000171858812 259358547 /nfs/dbraw/zinc/35/85/47/259358547.db2.gz VCSPDBPWPTZAQF-UHFFFAOYSA-N 0 3 218.366 0.613 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000166274674 343380837 /nfs/dbraw/zinc/38/08/37/343380837.db2.gz JWNVOHPRGZXROD-RQJHMYQMSA-N 0 3 239.241 0.086 20 0 BCADHN O=C(CCOC1CNC1)N1CCC2(CCC2)C1 ZINC000349061219 136321663 /nfs/dbraw/zinc/32/16/63/136321663.db2.gz WJUPIQHPMFXMLT-UHFFFAOYSA-N 0 3 238.331 0.768 20 0 BCADHN C[C@@H]1[C@H](C)N(Cc2cc[nH]n2)CCN1C ZINC000335680281 136322063 /nfs/dbraw/zinc/32/20/63/136322063.db2.gz WTFRJAWGSACWQM-ZJUUUORDSA-N 0 3 208.309 0.934 20 0 BCADHN Cn1nncc1CNCC[C@H]1CC1(F)F ZINC000621378162 343386025 /nfs/dbraw/zinc/38/60/25/343386025.db2.gz PGEOFQJWIWWXFT-ZETCQYMHSA-N 0 3 216.235 0.950 20 0 BCADHN C[C@@H](N)C(=O)NCCN(C)c1ccccc1 ZINC000040833267 343409804 /nfs/dbraw/zinc/40/98/04/343409804.db2.gz QPTIHEYPEVEZDH-SNVBAGLBSA-N 0 3 221.304 0.586 20 0 BCADHN COC[C@H](N)Cc1cn(C[C@@H]2C[C@@H]2C)nn1 ZINC000641080314 362194844 /nfs/dbraw/zinc/19/48/44/362194844.db2.gz IMGSZCHZSGLQEV-LPEHRKFASA-N 0 3 224.308 0.450 20 0 BCADHN C[C@@H](N)C(=O)NCCOc1ccccc1F ZINC000041246981 343417712 /nfs/dbraw/zinc/41/77/12/343417712.db2.gz YDRSAUAYORQNLG-MRVPVSSYSA-N 0 3 226.251 0.668 20 0 BCADHN C[C@@H](N)C(=O)NCCOc1ccc(F)c(F)c1 ZINC000041290069 343418249 /nfs/dbraw/zinc/41/82/49/343418249.db2.gz CKKWFHIJBFOMAX-SSDOTTSWSA-N 0 3 244.241 0.807 20 0 BCADHN CN(CCc1ccncc1)CCN1CCOCC1 ZINC000041304599 343418622 /nfs/dbraw/zinc/41/86/22/343418622.db2.gz CBMJLUAOZCDYGK-UHFFFAOYSA-N 0 3 249.358 0.888 20 0 BCADHN COCC(=O)N1CCC[C@@H]1CN(C)C ZINC000081565910 343418920 /nfs/dbraw/zinc/41/89/20/343418920.db2.gz MLTRGAISRBZEAG-SECBINFHSA-N 0 3 200.282 0.185 20 0 BCADHN O=C(NCCCO)NC1CCN(C2CC2)CC1 ZINC000047598705 343419521 /nfs/dbraw/zinc/41/95/21/343419521.db2.gz PEQBBJNNCLBYOK-UHFFFAOYSA-N 0 3 241.335 0.295 20 0 BCADHN O=C(CNC1CC1)NCCOc1ccccc1 ZINC000048694205 343419537 /nfs/dbraw/zinc/41/95/37/343419537.db2.gz YMSDHRHVFSWMKV-UHFFFAOYSA-N 0 3 234.299 0.934 20 0 BCADHN C[C@@H](CC1CC1)NC(=O)CCOC1CNC1 ZINC000349047455 136320971 /nfs/dbraw/zinc/32/09/71/136320971.db2.gz GSBMOWKXSNKWCT-VIFPVBQESA-N 0 3 226.320 0.670 20 0 BCADHN CC1(C)CN(C(=O)CCOC2CNC2)CCO1 ZINC000349054659 136321024 /nfs/dbraw/zinc/32/10/24/136321024.db2.gz GHZOGLIBEHVKIV-UHFFFAOYSA-N 0 3 242.319 0.002 20 0 BCADHN COC[C@@H](N)Cc1cn(CCC2CCC2)nn1 ZINC000641092942 362219957 /nfs/dbraw/zinc/21/99/57/362219957.db2.gz YNWZWLRTCNWLPP-NSHDSACASA-N 0 3 238.335 0.985 20 0 BCADHN FC(F)(F)CCN1CCN2CCOC[C@H]2C1 ZINC000335732739 136349533 /nfs/dbraw/zinc/34/95/33/136349533.db2.gz RMIYXJKMUMZNRN-SECBINFHSA-N 0 3 238.253 0.955 20 0 BCADHN CN(C)CCc1cn(Cc2cncs2)nn1 ZINC000641087700 362210497 /nfs/dbraw/zinc/21/04/97/362210497.db2.gz BOUJBXSKFDSBQI-UHFFFAOYSA-N 0 3 237.332 0.887 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@H](O)C(C)(C)C1)N(C)C ZINC000335829637 136352849 /nfs/dbraw/zinc/35/28/49/136352849.db2.gz LMZQFBZZBMDZRS-QWRGUYRKSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H](O)CN(C)Cc1ccc(CO)cc1 ZINC000166287315 136331421 /nfs/dbraw/zinc/33/14/21/136331421.db2.gz BLAAWFDJMIWVDE-SNVBAGLBSA-N 0 3 209.289 0.992 20 0 BCADHN CN(C)CCc1cn(Cc2ccnn2C)nn1 ZINC000641092023 362217393 /nfs/dbraw/zinc/21/73/93/362217393.db2.gz BCMYWLBTXIJXPI-UHFFFAOYSA-N 0 3 234.307 0.164 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ccn[nH]2)CCN1C ZINC000335706549 136336111 /nfs/dbraw/zinc/33/61/11/136336111.db2.gz KWPHVCUALQSSBC-BDAKNGLRSA-N 0 3 222.292 0.622 20 0 BCADHN COCCCN[C@H](C)CS(C)(=O)=O ZINC000081899097 343433373 /nfs/dbraw/zinc/43/33/73/343433373.db2.gz OBIRIKBPEUNJBR-MRVPVSSYSA-N 0 3 209.311 0.046 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC(C)(C)N(C)C ZINC000081899004 343433401 /nfs/dbraw/zinc/43/34/01/343433401.db2.gz PQNSUGAIFGOEJI-VIFPVBQESA-N 0 3 236.381 0.349 20 0 BCADHN C[C@@H]1C[C@H](C(=O)NC2CCN(C)CC2)CO1 ZINC000335715013 136338870 /nfs/dbraw/zinc/33/88/70/136338870.db2.gz NGWRAMZIGSXFPJ-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@H](COC)N[C@@H](C)CS(C)(=O)=O ZINC000081901293 343433979 /nfs/dbraw/zinc/43/39/79/343433979.db2.gz QSIFFXMHDZXHSX-DTWKUNHWSA-N 0 3 223.338 0.434 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H](C)CCN(C)C ZINC000081900908 343434009 /nfs/dbraw/zinc/43/40/09/343434009.db2.gz FBOMVVZNLZZLBQ-VHSXEESVSA-N 0 3 236.381 0.349 20 0 BCADHN CC1(CN2CCC[C@H](S(N)(=O)=O)C2)CCC1 ZINC000335717937 136340108 /nfs/dbraw/zinc/34/01/08/136340108.db2.gz IXHHDJHVVSTFID-JTQLQIEISA-N 0 3 246.376 0.930 20 0 BCADHN COCCN(CCN(C)C)CC1=CCCOC1 ZINC000349333735 136342132 /nfs/dbraw/zinc/34/21/32/136342132.db2.gz QZYNSBUOXWPMTG-UHFFFAOYSA-N 0 3 242.363 0.843 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2)[C@@H](C)O1 ZINC000395092180 362238456 /nfs/dbraw/zinc/23/84/56/362238456.db2.gz IGBCNSDBSQAYEY-CHWFTXMASA-N 0 3 226.320 0.811 20 0 BCADHN Cn1cccc1CN[C@@H]1CCC(=O)NC1 ZINC000082515300 343446555 /nfs/dbraw/zinc/44/65/55/343446555.db2.gz XFXQQVLPQXTMQB-SECBINFHSA-N 0 3 207.277 0.393 20 0 BCADHN CCNCc1cn(CCCn2ccnc2C)nn1 ZINC000641150150 362241098 /nfs/dbraw/zinc/24/10/98/362241098.db2.gz WSKWMEONEXBMJY-UHFFFAOYSA-N 0 3 248.334 0.983 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)[C@@H]1CCSC1 ZINC000135019021 343449756 /nfs/dbraw/zinc/44/97/56/343449756.db2.gz ADVCUOFUFFQGOP-ZJUUUORDSA-N 0 3 247.360 0.738 20 0 BCADHN CCOCCN(CC)C(=O)[C@@H](N)C(C)C ZINC000082538373 343449766 /nfs/dbraw/zinc/44/97/66/343449766.db2.gz CQXDHUNUQSTEHV-JTQLQIEISA-N 0 3 216.325 0.855 20 0 BCADHN C[C@@H]1CN(CCN(C)C[C@@H]2CCCO2)CCO1 ZINC000191454546 136362167 /nfs/dbraw/zinc/36/21/67/136362167.db2.gz YXASHTCXANHYDQ-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN CCc1nc(Cn2cc(C(C)(C)NC)nn2)n[nH]1 ZINC000641158828 362244402 /nfs/dbraw/zinc/24/44/02/362244402.db2.gz XDAUWXUOECLDML-UHFFFAOYSA-N 0 3 249.322 0.461 20 0 BCADHN CCc1nnc(Cn2cc(C(C)(C)NC)nn2)[nH]1 ZINC000641158828 362244403 /nfs/dbraw/zinc/24/44/03/362244403.db2.gz XDAUWXUOECLDML-UHFFFAOYSA-N 0 3 249.322 0.461 20 0 BCADHN CCOC1CC(C(=O)NC[C@H](C)N(C)C)C1 ZINC000350924537 136364510 /nfs/dbraw/zinc/36/45/10/136364510.db2.gz ZMIGLBLMRBEPSQ-WHXUTIOJSA-N 0 3 228.336 0.868 20 0 BCADHN COC[C@@H](C)NC[C@@H](O)C(F)(F)F ZINC000082680565 343459853 /nfs/dbraw/zinc/45/98/53/343459853.db2.gz HTRXFWCWMCAXAG-PHDIDXHHSA-N 0 3 201.188 0.534 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@H](c2ccco2)C1 ZINC000378493645 136366848 /nfs/dbraw/zinc/36/68/48/136366848.db2.gz JJKFCFUJXRWADS-IUCAKERBSA-N 0 3 208.261 0.943 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@@H]1CCCOC1 ZINC000351784625 136370346 /nfs/dbraw/zinc/37/03/46/136370346.db2.gz GEBTVGXUDXRIMW-MNOVXSKESA-N 0 3 243.351 0.662 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@H]1CCCOC1 ZINC000351784627 136370658 /nfs/dbraw/zinc/37/06/58/136370658.db2.gz GEBTVGXUDXRIMW-WDEREUQCSA-N 0 3 243.351 0.662 20 0 BCADHN O[C@H](CN[C@H]1CCCOC1)C(F)(F)F ZINC000082681188 343460176 /nfs/dbraw/zinc/46/01/76/343460176.db2.gz FWKYTLAJVMSPEO-NKWVEPMBSA-N 0 3 213.199 0.678 20 0 BCADHN C[C@H](Cn1cccn1)N[C@@H](C)C(=O)NC1CC1 ZINC000042540258 343442231 /nfs/dbraw/zinc/44/22/31/343442231.db2.gz MEOIPQKREMXUNN-ZJUUUORDSA-N 0 3 236.319 0.528 20 0 BCADHN CCS(=O)(=O)CCN[C@@H](C)Cn1cccn1 ZINC000042540044 343442447 /nfs/dbraw/zinc/44/24/47/343442447.db2.gz BSFQSPLPTOUFLW-JTQLQIEISA-N 0 3 245.348 0.296 20 0 BCADHN C[C@H](Cn1cccn1)N[C@@H]1CCCCNC1=O ZINC000042540500 343442543 /nfs/dbraw/zinc/44/25/43/343442543.db2.gz GQECWIPKCRHARI-GHMZBOCLSA-N 0 3 236.319 0.530 20 0 BCADHN NC1(C(=O)N2CCc3n[nH]cc3C2)CCCCC1 ZINC000335656557 136376144 /nfs/dbraw/zinc/37/61/44/136376144.db2.gz NBCAULKRWUZARX-UHFFFAOYSA-N 0 3 248.330 0.956 20 0 BCADHN CSCCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000083118332 343473559 /nfs/dbraw/zinc/47/35/59/343473559.db2.gz IZKVNRSUPCBGQS-IUCAKERBSA-N 0 3 216.350 0.948 20 0 BCADHN C[C@@H](CNC(=O)CCC(C)(C)O)N(C)C ZINC000616488951 343474681 /nfs/dbraw/zinc/47/46/81/343474681.db2.gz GCCAOJWDFOOREK-VIFPVBQESA-N 0 3 216.325 0.604 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1C[C@]12CCOC2)N(C)C ZINC000616489217 343475024 /nfs/dbraw/zinc/47/50/24/343475024.db2.gz SADKYKGDFNVXTK-NHCYSSNCSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1C[C@]12CCOC2)N(C)C ZINC000616489218 343475258 /nfs/dbraw/zinc/47/52/58/343475258.db2.gz SADKYKGDFNVXTK-UMNHJUIQSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@@H](CNC(=O)CN1CC(C)(C)C1)N(C)C ZINC000616489376 343475993 /nfs/dbraw/zinc/47/59/93/343475993.db2.gz ZSUVIZJNOVJATD-JTQLQIEISA-N 0 3 227.352 0.395 20 0 BCADHN COC[C@H](NC(=O)CNC(C)C)C(C)C ZINC000083399326 343480533 /nfs/dbraw/zinc/48/05/33/343480533.db2.gz AZDDIQLZHVESPA-JTQLQIEISA-N 0 3 216.325 0.772 20 0 BCADHN CCC(CC)(CO)C(=O)NC[C@H](C)N(C)C ZINC000616486611 343471501 /nfs/dbraw/zinc/47/15/01/343471501.db2.gz AVGBMGVOBNUFRB-JTQLQIEISA-N 0 3 230.352 0.851 20 0 BCADHN C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1C)N(C)C ZINC000616487244 343472997 /nfs/dbraw/zinc/47/29/97/343472997.db2.gz TXRMDNPWIQUTPX-UWVGGRQHSA-N 0 3 241.335 0.064 20 0 BCADHN C[C@@H](NC[C@H]1CNCCO1)c1ccoc1 ZINC000580550947 365755467 /nfs/dbraw/zinc/75/54/67/365755467.db2.gz KQQRECLMVIMZKG-MWLCHTKSSA-N 0 3 210.277 0.919 20 0 BCADHN CCN(C#N)CCN1CCC[C@@H]1[C@H](C)O ZINC000602897213 349814119 /nfs/dbraw/zinc/81/41/19/349814119.db2.gz SILLIUXPBCVVQD-WDEREUQCSA-N 0 3 211.309 0.635 20 0 BCADHN CC(C)COCCCNC(=O)C1(N)CC1 ZINC000083834093 343503895 /nfs/dbraw/zinc/50/38/95/343503895.db2.gz QNCVXRCMOSAPCS-UHFFFAOYSA-N 0 3 214.309 0.657 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)c1ccon1 ZINC000622727870 343578282 /nfs/dbraw/zinc/57/82/82/343578282.db2.gz IXVUSKKKRBYUBJ-VIFPVBQESA-N 0 3 223.276 0.841 20 0 BCADHN CCN(C#N)CCN1CC[C@H]2COC[C@H]2C1 ZINC000602902246 349816901 /nfs/dbraw/zinc/81/69/01/349816901.db2.gz HUPAKXWXLPXXBR-NWDGAFQWSA-N 0 3 223.320 0.758 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)CC2CN(C)C2)C1 ZINC000618190509 343551827 /nfs/dbraw/zinc/55/18/27/343551827.db2.gz VYYYLDFOEQSLCU-LLVKDONJSA-N 0 3 239.363 0.348 20 0 BCADHN CC(C(=O)N1C[C@@H]2CCCC[C@@H]21)S(C)(=O)=O ZINC000616729326 343555521 /nfs/dbraw/zinc/55/55/21/343555521.db2.gz DUPDWGJRTDLBJI-GUBZILKMSA-N 0 3 245.344 0.821 20 0 BCADHN CN(CC1CN(C)C1)C(=O)[C@H]1CCCCN1C ZINC000618190748 343557096 /nfs/dbraw/zinc/55/70/96/343557096.db2.gz DWWIGIYKGHPMTK-GFCCVEGCSA-N 0 3 239.363 0.491 20 0 BCADHN CCn1nccc1/C=C\C(=O)NCCN(C)C ZINC000255178468 343557620 /nfs/dbraw/zinc/55/76/20/343557620.db2.gz HYELFNRYXLBFJY-WAYWQWQTSA-N 0 3 236.319 0.594 20 0 BCADHN CCOC(=O)CCCN1C[C@@H](O)C[C@@]1(C)CO ZINC000602900283 349815909 /nfs/dbraw/zinc/81/59/09/349815909.db2.gz SODNCQQTZVLJSK-JQWIXIFHSA-N 0 3 245.319 0.147 20 0 BCADHN Cc1c(C(=O)NC[C@@H](C)N(C)C)cnn1C ZINC000047638985 343563966 /nfs/dbraw/zinc/56/39/66/343563966.db2.gz MLSUJBIPTVVNLZ-MRVPVSSYSA-N 0 3 224.308 0.408 20 0 BCADHN CN1CCC(NC(=O)c2ccc[nH]c2=O)CC1 ZINC000047829191 343566321 /nfs/dbraw/zinc/56/63/21/343566321.db2.gz HSTILKPLZAAGSM-UHFFFAOYSA-N 0 3 235.287 0.199 20 0 BCADHN Cc1cnc(C(=O)NC2CCN(C)CC2)cn1 ZINC000047829151 343566412 /nfs/dbraw/zinc/56/64/12/343566412.db2.gz ABIBKACKYPCRDF-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN CC(C)[C@H](C(=O)N(C)CC1CN(C)C1)N(C)C ZINC000618192172 343583261 /nfs/dbraw/zinc/58/32/61/343583261.db2.gz FJKLGSDUFVQQDB-GFCCVEGCSA-N 0 3 241.379 0.593 20 0 BCADHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C)cnn1 ZINC000622728475 343581457 /nfs/dbraw/zinc/58/14/57/343581457.db2.gz CLEUTJGVYSIMCS-LBPRGKRZSA-N 0 3 248.330 0.951 20 0 BCADHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)NC(N)=O ZINC000192624644 365783010 /nfs/dbraw/zinc/78/30/10/365783010.db2.gz IJINDMRZTQEXAD-BDAKNGLRSA-N 0 3 227.308 0.692 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)CC(C)(C)O ZINC000086274400 343615962 /nfs/dbraw/zinc/61/59/62/343615962.db2.gz QARHUDXFCAFXII-MRVPVSSYSA-N 0 3 202.298 0.166 20 0 BCADHN CC(C)N(C)CC(=O)N(C)CC1CN(C)C1 ZINC000618195117 343620102 /nfs/dbraw/zinc/62/01/02/343620102.db2.gz WQJGWDQFYWBLLG-UHFFFAOYSA-N 0 3 227.352 0.347 20 0 BCADHN OC[C@H](CNCc1ccccn1)[C@@H]1CCOC1 ZINC000584106291 343597410 /nfs/dbraw/zinc/59/74/10/343597410.db2.gz SFILNOSLEVLZTB-NEPJUHHUSA-N 0 3 236.315 0.816 20 0 BCADHN CN[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000052395801 343600193 /nfs/dbraw/zinc/60/01/93/343600193.db2.gz SZOWATHUWCYGCN-BDAKNGLRSA-N 0 3 230.308 0.298 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000379984364 365779475 /nfs/dbraw/zinc/77/94/75/365779475.db2.gz UETYBLXCKLMLFT-YUMQZZPRSA-N 0 3 210.281 0.205 20 0 BCADHN CCOCCCC(=O)NC[C@@H](C)N(C)C ZINC000047856610 343606052 /nfs/dbraw/zinc/60/60/52/343606052.db2.gz FAKNBWXFUGDVII-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN CS[C@@H](C)C(=O)NC[C@H](C)N(C)C ZINC000047856604 343606058 /nfs/dbraw/zinc/60/60/58/343606058.db2.gz AGTWSAIJHDMDGB-YUMQZZPRSA-N 0 3 204.339 0.804 20 0 BCADHN CC(C)[C@@H](CO)NC[C@H](O)C(F)(F)F ZINC000086123827 343611168 /nfs/dbraw/zinc/61/11/68/343611168.db2.gz CSPTVIQPYWVQLH-RQJHMYQMSA-N 0 3 215.215 0.516 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000152892906 343611264 /nfs/dbraw/zinc/61/12/64/343611264.db2.gz ROHLHQAGFOUQKG-OIBJUYFYSA-N 0 3 224.308 0.503 20 0 BCADHN Cc1cc(CN[C@H](CO)C(C)C)n(C)n1 ZINC000086124555 343611705 /nfs/dbraw/zinc/61/17/05/343611705.db2.gz CAVMIHQMNDVEJL-LLVKDONJSA-N 0 3 211.309 0.835 20 0 BCADHN COCCNCC(=O)N(C)CC(C)C ZINC000086157928 343612282 /nfs/dbraw/zinc/61/22/82/343612282.db2.gz CXKFYCMNFLFQEE-UHFFFAOYSA-N 0 3 202.298 0.337 20 0 BCADHN COCCNCC(=O)N[C@H]1CCC[C@H]1C ZINC000086158276 343612670 /nfs/dbraw/zinc/61/26/70/343612670.db2.gz ZLNCCEHJXMHBRX-ZJUUUORDSA-N 0 3 214.309 0.527 20 0 BCADHN COCCNCC(=O)N1C[C@H](C)[C@H](C)C1 ZINC000086158443 343612732 /nfs/dbraw/zinc/61/27/32/343612732.db2.gz LUSFJACVFLVKKO-AOOOYVTPSA-N 0 3 214.309 0.337 20 0 BCADHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)NC(N)=O ZINC000192624668 365782609 /nfs/dbraw/zinc/78/26/09/365782609.db2.gz IJINDMRZTQEXAD-RKDXNWHRSA-N 0 3 227.308 0.692 20 0 BCADHN O=S1(=O)CCC[C@H](CNCC2(F)CC2)C1 ZINC000379968595 365782849 /nfs/dbraw/zinc/78/28/49/365782849.db2.gz ACZZNUVUTGEUEU-SECBINFHSA-N 0 3 235.324 0.903 20 0 BCADHN CC[C@H](N)c1cn(Cc2cccnc2N)nn1 ZINC000641165332 362248742 /nfs/dbraw/zinc/24/87/42/362248742.db2.gz BJWHRGPIKKRMRU-VIFPVBQESA-N 0 3 232.291 0.713 20 0 BCADHN Cc1cccnc1CNC[C@@H](O)CN(C)C1CC1 ZINC000311106431 343638381 /nfs/dbraw/zinc/63/83/81/343638381.db2.gz DILMSFFYZUHFPM-CYBMUJFWSA-N 0 3 249.358 0.935 20 0 BCADHN COC[C@@](C)(CO)NCC1(CC(=O)OC)CC1 ZINC000602931054 349822036 /nfs/dbraw/zinc/82/20/36/349822036.db2.gz DSRZIVOEMZULHA-LLVKDONJSA-N 0 3 245.319 0.317 20 0 BCADHN CNC(C)(C)c1cn(Cc2n[nH]c(C)n2)nn1 ZINC000641166020 362249084 /nfs/dbraw/zinc/24/90/84/362249084.db2.gz HYJHSUDVFCZRNP-UHFFFAOYSA-N 0 3 235.295 0.207 20 0 BCADHN CNC(C)(C)c1cn(Cc2nnc(C)[nH]2)nn1 ZINC000641166020 362249091 /nfs/dbraw/zinc/24/90/91/362249091.db2.gz HYJHSUDVFCZRNP-UHFFFAOYSA-N 0 3 235.295 0.207 20 0 BCADHN CCN(C#N)CCN1CC[C@@H](C)C[C@H]1CO ZINC000602930439 349822830 /nfs/dbraw/zinc/82/28/30/349822830.db2.gz KWWFFGGSKGFECI-NEPJUHHUSA-N 0 3 225.336 0.882 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](COC)C1CC1 ZINC000125360091 343625696 /nfs/dbraw/zinc/62/56/96/343625696.db2.gz UWWQKKZFUPWCAD-BDAKNGLRSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@@H]1[C@@H](C)N(CCCC(=O)N(C)C)CCN1C ZINC000580580788 365790115 /nfs/dbraw/zinc/79/01/15/365790115.db2.gz ISWDIDMBMXEIQN-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1CCCC(=O)N(C)C ZINC000580580786 365790329 /nfs/dbraw/zinc/79/03/29/365790329.db2.gz ISWDIDMBMXEIQN-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)C(N)=O ZINC000086927151 343632699 /nfs/dbraw/zinc/63/26/99/343632699.db2.gz HXIMHMTUDNGAGX-HTQZYQBOSA-N 0 3 214.309 0.796 20 0 BCADHN COC[C@@H](C)NC[C@@H]1CCCS1(=O)=O ZINC000087970963 343676741 /nfs/dbraw/zinc/67/67/41/343676741.db2.gz SXHKCWGKRRRWKN-BDAKNGLRSA-N 0 3 221.322 0.188 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)OC2CCC2)C1 ZINC000496480031 529800537 /nfs/dbraw/zinc/80/05/37/529800537.db2.gz ZPUYSAMVEHISGG-LLVKDONJSA-N 0 3 228.292 0.332 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCCOC(C)(C)C1 ZINC000380093823 343678123 /nfs/dbraw/zinc/67/81/23/343678123.db2.gz HHXKNWQCIRWJNJ-LBPRGKRZSA-N 0 3 245.319 0.411 20 0 BCADHN CCC1(CNCc2ccn(C)n2)COC1 ZINC000379946605 343658232 /nfs/dbraw/zinc/65/82/32/343658232.db2.gz RBKMUNFGEQYIKU-UHFFFAOYSA-N 0 3 209.293 0.936 20 0 BCADHN Cc1noc(C(=O)N(CCN(C)C)C2CC2)n1 ZINC000631395717 343694707 /nfs/dbraw/zinc/69/47/07/343694707.db2.gz RFWSNKGQQMLQHY-UHFFFAOYSA-N 0 3 238.291 0.544 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000384612021 343697585 /nfs/dbraw/zinc/69/75/85/343697585.db2.gz PCAUDOIHSKHMPG-XFWSIPNHSA-N 0 3 235.349 0.575 20 0 BCADHN CN(CC(F)(F)F)C(=O)C1(N)CCC1 ZINC000088050504 343698248 /nfs/dbraw/zinc/69/82/48/343698248.db2.gz AJNNELMWZOWFHH-UHFFFAOYSA-N 0 3 210.199 0.889 20 0 BCADHN CCn1cc(NC(=O)C2(N)CCC2)cn1 ZINC000088050352 343698460 /nfs/dbraw/zinc/69/84/60/343698460.db2.gz VFTWGOUABDHMPL-UHFFFAOYSA-N 0 3 208.265 0.723 20 0 BCADHN NC1(C(=O)NCc2ccccn2)CCC1 ZINC000088050106 343698716 /nfs/dbraw/zinc/69/87/16/343698716.db2.gz KTGSPVUFFXILNR-UHFFFAOYSA-N 0 3 205.261 0.579 20 0 BCADHN CCOCC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000088055723 343699404 /nfs/dbraw/zinc/69/94/04/343699404.db2.gz BIRCOKSPMHASPI-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1C[C@@H](C)O[C@@H]1C ZINC000384621076 343699416 /nfs/dbraw/zinc/69/94/16/343699416.db2.gz PYVKTVJYPLYTLL-IMSYWVGJSA-N 0 3 214.309 0.652 20 0 BCADHN CN1CC[C@](O)(CNCc2cncc(F)c2)C1 ZINC000494475223 529809649 /nfs/dbraw/zinc/80/96/49/529809649.db2.gz SDJWLPNQXCKPHH-LBPRGKRZSA-N 0 3 239.294 0.377 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2cncs2)C1 ZINC000380119746 343681319 /nfs/dbraw/zinc/68/13/19/343681319.db2.gz QDKZASKUDYYJDZ-SECBINFHSA-N 0 3 225.317 0.854 20 0 BCADHN CCOCCN(C)C[C@@H](O)COCC ZINC000087978639 343682447 /nfs/dbraw/zinc/68/24/47/343682447.db2.gz HORVMVUVOWBTCH-SNVBAGLBSA-N 0 3 205.298 0.352 20 0 BCADHN NC(=O)NC(=O)CCNCc1cccs1 ZINC000380183050 343688844 /nfs/dbraw/zinc/68/88/44/343688844.db2.gz MOVATHJMDYFWIB-UHFFFAOYSA-N 0 3 227.289 0.423 20 0 BCADHN COc1cncc(CN[C@](C)(CO)C(C)C)n1 ZINC000625439301 343740650 /nfs/dbraw/zinc/74/06/50/343740650.db2.gz GHMAUKWPHCKBTH-GFCCVEGCSA-N 0 3 239.319 0.982 20 0 BCADHN CCN(CC)C(=O)CN[C@H]1COCC1(C)C ZINC000312990185 343710142 /nfs/dbraw/zinc/71/01/42/343710142.db2.gz CFCCULXGMOLWHV-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CN1C[C@H](CN(CC(C)(C)O)C2CC2)OC1=O ZINC000495796916 529825017 /nfs/dbraw/zinc/82/50/17/529825017.db2.gz ZCQSCCCUVXOKEI-SNVBAGLBSA-N 0 3 242.319 0.672 20 0 BCADHN CN1C[C@H](CN2CCC3(CCO3)CC2)OC1=O ZINC000495796228 529825148 /nfs/dbraw/zinc/82/51/48/529825148.db2.gz UJCSPTXIEYIVHH-SNVBAGLBSA-N 0 3 240.303 0.692 20 0 BCADHN CN1C[C@H](CN2CC[C@H](CCO)C2)OC1=O ZINC000496911303 529825894 /nfs/dbraw/zinc/82/58/94/529825894.db2.gz WELILINZVFIENY-NXEZZACHSA-N 0 3 228.292 0.141 20 0 BCADHN CN1C[C@H](CN2C[C@@H]3CCC[C@H]32)OC1=O ZINC000496061231 529825898 /nfs/dbraw/zinc/82/58/98/529825898.db2.gz MARBOWWDKFZTPS-IVZWLZJFSA-N 0 3 210.277 0.921 20 0 BCADHN CN1C[C@H](CN2CC[C@@H](CCO)C2)OC1=O ZINC000496911305 529825902 /nfs/dbraw/zinc/82/59/02/529825902.db2.gz WELILINZVFIENY-VHSXEESVSA-N 0 3 228.292 0.141 20 0 BCADHN CN1C[C@H](CN2C[C@@H]3CCC[C@@H]32)OC1=O ZINC000496061227 529825972 /nfs/dbraw/zinc/82/59/72/529825972.db2.gz MARBOWWDKFZTPS-AEJSXWLSSA-N 0 3 210.277 0.921 20 0 BCADHN CN1C[C@H](CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)OC1=O ZINC000496956068 529826093 /nfs/dbraw/zinc/82/60/93/529826093.db2.gz NHRNYRNNAVDZLB-ZDCRXTMVSA-N 0 3 240.303 0.140 20 0 BCADHN CN1C[C@H](CN[C@H]2COCC2(C)C)OC1=O ZINC000496514732 529826610 /nfs/dbraw/zinc/82/66/10/529826610.db2.gz SOCNASQJIAYZMO-IUCAKERBSA-N 0 3 228.292 0.452 20 0 BCADHN C[C@@H](NC(=O)CNC1CC1)c1cnn(C)c1 ZINC000154402042 343715286 /nfs/dbraw/zinc/71/52/86/343715286.db2.gz BAYNDTZZGNVYIP-MRVPVSSYSA-N 0 3 222.292 0.349 20 0 BCADHN C[C@@H](NCCN1CC[C@H](O)C1)c1cccnc1 ZINC000624335593 343717811 /nfs/dbraw/zinc/71/78/11/343717811.db2.gz WBLHDZNBGHSBQD-YPMHNXCESA-N 0 3 235.331 0.799 20 0 BCADHN C[C@@H](NCCN1CC[C@H](O)C1)c1nccn1C ZINC000624335464 343718132 /nfs/dbraw/zinc/71/81/32/343718132.db2.gz RSXGSHZCQXYXPK-MNOVXSKESA-N 0 3 238.335 0.137 20 0 BCADHN CC1CC(CNC(=O)COC2(C)CNC2)C1 ZINC000621676168 343718804 /nfs/dbraw/zinc/71/88/04/343718804.db2.gz AAKBAKLZALBIME-UHFFFAOYSA-N 0 3 226.320 0.527 20 0 BCADHN C[C@H](NCCN1CC[C@H](O)C1)c1ccncn1 ZINC000624338907 343720197 /nfs/dbraw/zinc/72/01/97/343720197.db2.gz HDSHJVRFYLHQMX-QWRGUYRKSA-N 0 3 236.319 0.194 20 0 BCADHN CN1C[C@H](NC/C=C\c2ccncc2)CC1=O ZINC000486968621 529829688 /nfs/dbraw/zinc/82/96/88/529829688.db2.gz JKYOLMQWFBMGAW-ZZKXABKFSA-N 0 3 231.299 0.915 20 0 BCADHN CCS(=O)(=O)NC[C@H]1CCCCN(C)C1 ZINC000625421297 343723062 /nfs/dbraw/zinc/72/30/62/343723062.db2.gz LALVFVNFQBEZEQ-SNVBAGLBSA-N 0 3 234.365 0.658 20 0 BCADHN CN1CCCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000625423727 343724637 /nfs/dbraw/zinc/72/46/37/343724637.db2.gz YBSFFMLLSIDQMY-SNVBAGLBSA-N 0 3 246.376 0.800 20 0 BCADHN CN1C[C@@H](CN(CC(C)(C)O)C2CC2)OC1=O ZINC000495796915 529817259 /nfs/dbraw/zinc/81/72/59/529817259.db2.gz ZCQSCCCUVXOKEI-JTQLQIEISA-N 0 3 242.319 0.672 20 0 BCADHN CN1C[C@@H](CN2CCC[C@H]2CCCO)OC1=O ZINC000496766042 529817421 /nfs/dbraw/zinc/81/74/21/529817421.db2.gz IAKGESIMSBZHKA-QWRGUYRKSA-N 0 3 242.319 0.674 20 0 BCADHN CO[C@H](C)CN(C)C[C@@H](O)CC1(O)CCC1 ZINC000625427403 343728347 /nfs/dbraw/zinc/72/83/47/343728347.db2.gz CIINHZQUORQFIX-MNOVXSKESA-N 0 3 231.336 0.619 20 0 BCADHN CN1C[C@@H](CN[C@@H]2COCC2(C)C)OC1=O ZINC000496514733 529818010 /nfs/dbraw/zinc/81/80/10/529818010.db2.gz SOCNASQJIAYZMO-RKDXNWHRSA-N 0 3 228.292 0.452 20 0 BCADHN COC(=O)CCN[C@H]1CCCn2nccc21 ZINC000603028154 349859490 /nfs/dbraw/zinc/85/94/90/349859490.db2.gz RAKKYDDOXSZFFF-VIFPVBQESA-N 0 3 223.276 0.871 20 0 BCADHN COc1cncc(CN2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000625447181 343771647 /nfs/dbraw/zinc/77/16/47/343771647.db2.gz ZVVUKFYVZNSANQ-PWSUYJOCSA-N 0 3 248.330 0.621 20 0 BCADHN CO[C@@]1(C)C[C@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000624389314 343748895 /nfs/dbraw/zinc/74/88/95/343748895.db2.gz WYEKNQFCMWSGRB-UMNHJUIQSA-N 0 3 241.335 0.557 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000576463391 343751268 /nfs/dbraw/zinc/75/12/68/343751268.db2.gz MMORXKVDUCMZOH-YTWAJWBKSA-N 0 3 226.320 0.798 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000576463380 343751297 /nfs/dbraw/zinc/75/12/97/343751297.db2.gz MMORXKVDUCMZOH-LMLFDSFASA-N 0 3 226.320 0.798 20 0 BCADHN CCN(C[C@H](O)CC1(O)CCC1)[C@H]1CCOC1 ZINC000625445054 343761952 /nfs/dbraw/zinc/76/19/52/343761952.db2.gz QNJGOCUMAPWJER-NWDGAFQWSA-N 0 3 243.347 0.763 20 0 BCADHN CC[C@H](COC)NCC(=O)NCc1ccco1 ZINC000128191393 343763025 /nfs/dbraw/zinc/76/30/25/343763025.db2.gz QJNRJOBSUNUTCV-SNVBAGLBSA-N 0 3 240.303 0.910 20 0 BCADHN CC[C@@H](O)CN[C@H](C(=O)N(C)CC)C(C)C ZINC000584154143 343766247 /nfs/dbraw/zinc/76/62/47/343766247.db2.gz PODBLLQTSGADMP-MNOVXSKESA-N 0 3 230.352 0.850 20 0 BCADHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000624415459 343778191 /nfs/dbraw/zinc/77/81/91/343778191.db2.gz KRRSBFHBSFMAPN-JGVFFNPUSA-N 0 3 246.357 0.777 20 0 BCADHN CCN1CCN(C(=O)[C@H](N)CC(F)F)CC1 ZINC000309199687 346982123 /nfs/dbraw/zinc/98/21/23/346982123.db2.gz MYTDUQYQEGZNFA-MRVPVSSYSA-N 0 3 235.278 0.133 20 0 BCADHN C[C@@H](C(=O)NCCN1CCCCCC1)N(C)C ZINC000674245553 487535424 /nfs/dbraw/zinc/53/54/24/487535424.db2.gz QIQZLAKUBRLHDB-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN Cn1ccc(CN2CCC[C@H](O)C2)cc1=O ZINC000051203912 346985231 /nfs/dbraw/zinc/98/52/31/346985231.db2.gz IAJZTOYNFYMLSW-NSHDSACASA-N 0 3 222.288 0.342 20 0 BCADHN CSC[C@@H](CCO)NC1CSC1 ZINC000393334799 343830358 /nfs/dbraw/zinc/83/03/58/343830358.db2.gz ZUKUSGVXNISSKH-SSDOTTSWSA-N 0 3 207.364 0.805 20 0 BCADHN COCCC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000570503061 323061334 /nfs/dbraw/zinc/06/13/34/323061334.db2.gz JTOHAVGZQHTACI-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN CC[C@@H](O)CCN[C@@H]1CCCS(=O)(=O)C1 ZINC000162312490 343878531 /nfs/dbraw/zinc/87/85/31/343878531.db2.gz PALVIRMEDULMSX-NXEZZACHSA-N 0 3 235.349 0.314 20 0 BCADHN OC[C@H](O)CNCc1scnc1C1CC1 ZINC000336728030 537828488 /nfs/dbraw/zinc/82/84/88/537828488.db2.gz HWEAAHJUIVTZCT-MRVPVSSYSA-N 0 3 228.317 0.463 20 0 BCADHN CO[C@H]1CCN(CCc2cn(C)nn2)C[C@@H]1C ZINC000625457810 343859907 /nfs/dbraw/zinc/85/99/07/343859907.db2.gz QIUXCYXGOHFYJP-JQWIXIFHSA-N 0 3 238.335 0.714 20 0 BCADHN CC(C)(C)CNC(=O)CN[C@H]1C[C@@H](O)C1(C)C ZINC000625459350 343862379 /nfs/dbraw/zinc/86/23/79/343862379.db2.gz USPZMGRAALMVJM-VHSXEESVSA-N 0 3 242.363 0.898 20 0 BCADHN C[C@H]1[C@@H](CO)CCCN1CCc1cn(C)nn1 ZINC000625470053 343873914 /nfs/dbraw/zinc/87/39/14/343873914.db2.gz CRMKGNRJWVDTIE-WDEREUQCSA-N 0 3 238.335 0.450 20 0 BCADHN CN(CC[C@H]1CCCO1)C[C@H]1CNC(=O)O1 ZINC000495588144 529932154 /nfs/dbraw/zinc/93/21/54/529932154.db2.gz KWAOEEPJHLFJLF-NXEZZACHSA-N 0 3 228.292 0.596 20 0 BCADHN O=C(NCC1CC1)NC1CCN(CCO)CC1 ZINC000601230240 347009421 /nfs/dbraw/zinc/00/94/21/347009421.db2.gz XGPZBACSYBQVIH-UHFFFAOYSA-N 0 3 241.335 0.152 20 0 BCADHN CCN1CCC(NC(=O)c2c[nH]nc2C)CC1 ZINC000068012662 343910077 /nfs/dbraw/zinc/91/00/77/343910077.db2.gz FZDIWKWIEGHBHB-UHFFFAOYSA-N 0 3 236.319 0.932 20 0 BCADHN C[C@@H](CC[S@](C)=O)NCc1cn[nH]c1 ZINC000393675951 343910099 /nfs/dbraw/zinc/91/00/99/343910099.db2.gz XGUMRPKKWHNXAK-RTHLEPHNSA-N 0 3 215.322 0.656 20 0 BCADHN CN[C@H](C)c1cn(Cc2nnc(C(C)C)[nH]2)nn1 ZINC000641170521 362252594 /nfs/dbraw/zinc/25/25/94/362252594.db2.gz BEAZJJBQFKCDSM-MRVPVSSYSA-N 0 3 249.322 0.848 20 0 BCADHN CN[C@H](C)c1cn(Cc2n[nH]c(C(C)C)n2)nn1 ZINC000641170521 362252598 /nfs/dbraw/zinc/25/25/98/362252598.db2.gz BEAZJJBQFKCDSM-MRVPVSSYSA-N 0 3 249.322 0.848 20 0 BCADHN CCn1nncc1Cn1cc([C@H](N)C(C)C)nn1 ZINC000641177341 362252817 /nfs/dbraw/zinc/25/28/17/362252817.db2.gz SICBLFBZHODDTA-LLVKDONJSA-N 0 3 249.322 0.594 20 0 BCADHN CC(C)(C)CNC(=O)CN[C@H](CO)C1CCC1 ZINC000625530448 343920068 /nfs/dbraw/zinc/92/00/68/343920068.db2.gz AOVMXIPPIZQULS-LLVKDONJSA-N 0 3 242.363 0.899 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2cnnn2CC)nn1 ZINC000641176503 362254483 /nfs/dbraw/zinc/25/44/83/362254483.db2.gz CKSRNXAIARJOHV-SNVBAGLBSA-N 0 3 249.322 0.738 20 0 BCADHN CCn1nncc1Cn1cc([C@@](C)(N)CC)nn1 ZINC000641176487 362254764 /nfs/dbraw/zinc/25/47/64/362254764.db2.gz BXFZCDCHGPDMGL-NSHDSACASA-N 0 3 249.322 0.522 20 0 BCADHN CC[C@@](C)(N)c1cn([C@@H](C)c2n[nH]c(C)n2)nn1 ZINC000641178913 362255621 /nfs/dbraw/zinc/25/56/21/362255621.db2.gz DYNDMODHWIKEJT-WRWORJQWSA-N 0 3 249.322 0.898 20 0 BCADHN CC[C@H](N)c1cn([C@H](C)c2n[nH]c(C)n2)nn1 ZINC000641177751 362256704 /nfs/dbraw/zinc/25/67/04/362256704.db2.gz KEILYAAILICEPD-SVRRBLITSA-N 0 3 235.295 0.724 20 0 BCADHN CN[C@@H](C)c1cn([C@H](C)c2n[nH]c(C)n2)nn1 ZINC000641178737 362257306 /nfs/dbraw/zinc/25/73/06/362257306.db2.gz ASHIQQKWXBIMEQ-NKWVEPMBSA-N 0 3 235.295 0.594 20 0 BCADHN CN[C@@H](C)c1cn([C@H](C)c2nnc(C)[nH]2)nn1 ZINC000641178737 362257310 /nfs/dbraw/zinc/25/73/10/362257310.db2.gz ASHIQQKWXBIMEQ-NKWVEPMBSA-N 0 3 235.295 0.594 20 0 BCADHN C[C@@H]1CN(CCc2cn(C)nn2)C[C@@H](C)C1O ZINC000625536529 343924970 /nfs/dbraw/zinc/92/49/70/343924970.db2.gz FZOFCJBMYYCMNN-NXEZZACHSA-N 0 3 238.335 0.306 20 0 BCADHN CN1CCC(C(=O)N[C@H]2CCCC[C@@H]2O)CC1 ZINC000335878391 344045691 /nfs/dbraw/zinc/04/56/91/344045691.db2.gz YBNZGQYICIFOPP-RYUDHWBXSA-N 0 3 240.347 0.748 20 0 BCADHN CCc1nc([C@@H](C)n2cc([C@H](C)NC)nn2)n[nH]1 ZINC000641210628 362272758 /nfs/dbraw/zinc/27/27/58/362272758.db2.gz YIKMBJUMSAOLJD-JGVFFNPUSA-N 0 3 249.322 0.848 20 0 BCADHN CCc1nnc([C@@H](C)n2cc([C@H](C)NC)nn2)[nH]1 ZINC000641210628 362272759 /nfs/dbraw/zinc/27/27/59/362272759.db2.gz YIKMBJUMSAOLJD-JGVFFNPUSA-N 0 3 249.322 0.848 20 0 BCADHN C[C@H](O)Cn1cc(CCN2CCCCC2)nn1 ZINC000641213756 362276826 /nfs/dbraw/zinc/27/68/26/362276826.db2.gz LCCPIYXMMLZNOV-NSHDSACASA-N 0 3 238.335 0.687 20 0 BCADHN CCC[C@H](N)c1cn(C[C@](C)(O)C(C)=O)nn1 ZINC000641216322 362279426 /nfs/dbraw/zinc/27/94/26/362279426.db2.gz GAWVJZVEMKFOHG-ONGXEEELSA-N 0 3 240.307 0.418 20 0 BCADHN CC[C@@](C)(N)c1cn(C[C@@](C)(O)C(C)=O)nn1 ZINC000641216327 362279851 /nfs/dbraw/zinc/27/98/51/362279851.db2.gz GGLYEUDXYSFXQE-GHMZBOCLSA-N 0 3 240.307 0.202 20 0 BCADHN CC[C@](C)(N)c1cn(C[C@H](O)C(C)C)nn1 ZINC000395162645 362290381 /nfs/dbraw/zinc/29/03/81/362290381.db2.gz VAFHSHOUDHAAGA-ONGXEEELSA-N 0 3 226.324 0.879 20 0 BCADHN CC[C@@](C)(N)c1cn(C[C@@H](O)C(C)C)nn1 ZINC000395162644 362290497 /nfs/dbraw/zinc/29/04/97/362290497.db2.gz VAFHSHOUDHAAGA-MWLCHTKSSA-N 0 3 226.324 0.879 20 0 BCADHN CO[C@H](CN1C[C@H](O)[C@@H](O)C1)C1CCCC1 ZINC000625713739 344051832 /nfs/dbraw/zinc/05/18/32/344051832.db2.gz TXYGSOMNUVLBGS-SDDRHHMPSA-N 0 3 229.320 0.229 20 0 BCADHN C[C@H]1CN(CCN(C)CC2(C)COC2)CCO1 ZINC000625791372 344075204 /nfs/dbraw/zinc/07/52/04/344075204.db2.gz MAKLTHRHWIQZSB-LBPRGKRZSA-N 0 3 242.363 0.675 20 0 BCADHN CCN1CC[C@H](N(C)CC2(C)COC2)C1=O ZINC000625791590 344075493 /nfs/dbraw/zinc/07/54/93/344075493.db2.gz GMUXJPJBQUWBKN-JTQLQIEISA-N 0 3 226.320 0.576 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)[C@H](N)CC ZINC000129841622 344073144 /nfs/dbraw/zinc/07/31/44/344073144.db2.gz XOBLRGBICQFXJZ-IWSPIJDZSA-N 0 3 202.298 0.247 20 0 BCADHN C[C@@H](N)C(=O)NCCc1ccc(F)cc1F ZINC000155253122 344109684 /nfs/dbraw/zinc/10/96/84/344109684.db2.gz JNORTUSUWAMKDH-SSDOTTSWSA-N 0 3 228.242 0.971 20 0 BCADHN CCOC(=O)[C@H](NC(=O)[C@H](N)CC)[C@H](C)CC ZINC000130092491 344111760 /nfs/dbraw/zinc/11/17/60/344111760.db2.gz YISGLSMEHFIWLZ-OPRDCNLKSA-N 0 3 244.335 0.818 20 0 BCADHN CCNC(=O)CN(C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187973092 259372491 /nfs/dbraw/zinc/37/24/91/259372491.db2.gz SACQSHNXTWFVEL-JQWIXIFHSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@H]1CC[C@@](CO)(N(C)CC(=O)NC2CC2)C1 ZINC000187958624 259372599 /nfs/dbraw/zinc/37/25/99/259372599.db2.gz YKHKIIXZAUPVMS-GXFFZTMASA-N 0 3 240.347 0.748 20 0 BCADHN CCN1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625807492 344080203 /nfs/dbraw/zinc/08/02/03/344080203.db2.gz RZPGMXKLUWHDRA-UHFFFAOYSA-N 0 3 223.280 0.034 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC[C@H]1CCCOC1 ZINC000625813480 344081830 /nfs/dbraw/zinc/08/18/30/344081830.db2.gz LORSGRFXADWEDF-MNOVXSKESA-N 0 3 228.336 0.903 20 0 BCADHN CC[C@@H]1COCCN1C(=O)C(C)S(C)(=O)=O ZINC000115306681 347027041 /nfs/dbraw/zinc/02/70/41/347027041.db2.gz RQAOZAXHLAAJEW-RKDXNWHRSA-N 0 3 249.332 0.057 20 0 BCADHN CSC[C@H](O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000603260613 349901981 /nfs/dbraw/zinc/90/19/81/349901981.db2.gz OUYHSDZYLACMTN-SCZZXKLOSA-N 0 3 244.364 0.658 20 0 BCADHN CN(C[C@@H]1CN(C)C(=O)O1)[C@@H]1CCCC[C@H]1O ZINC000495727617 529957363 /nfs/dbraw/zinc/95/73/63/529957363.db2.gz JYXJMFBAMFESOH-GMTAPVOTSA-N 0 3 242.319 0.672 20 0 BCADHN C[C@@H]1C[C@@H](C)N(CCN2CCCS2(=O)=O)C1 ZINC000335917279 344086419 /nfs/dbraw/zinc/08/64/19/344086419.db2.gz VEKBGFCMGFRRBP-GHMZBOCLSA-N 0 3 246.376 0.752 20 0 BCADHN O=C1NCCN1CCN(C1CC1)C1CC1 ZINC000625840874 344091909 /nfs/dbraw/zinc/09/19/09/344091909.db2.gz FFNGZVSSDYYARE-UHFFFAOYSA-N 0 3 209.293 0.638 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](C)C[C@@H](C)O ZINC000130009091 344102419 /nfs/dbraw/zinc/10/24/19/344102419.db2.gz JEPPGQAJQYHORS-IWSPIJDZSA-N 0 3 202.298 0.247 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)c1cc(=O)[nH]cn1 ZINC000624611727 344102469 /nfs/dbraw/zinc/10/24/69/344102469.db2.gz ZXIXWOKYQLCDOD-QMMMGPOBSA-N 0 3 248.286 0.149 20 0 BCADHN C[C@@H](O)CCN(C)[C@H]1CCCCN(C)C1=O ZINC000634744033 344164812 /nfs/dbraw/zinc/16/48/12/344164812.db2.gz LZZLHDLCDFLGKO-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN CC(C)[C@@H](O)CN(C)[C@H]1CCCCN(C)C1=O ZINC000634744043 344164855 /nfs/dbraw/zinc/16/48/55/344164855.db2.gz MAUGTRWNUIJJSW-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN CCc1cnc(NC(=O)[C@@H](CN)OC)s1 ZINC000261568383 344169912 /nfs/dbraw/zinc/16/99/12/344169912.db2.gz FMXTUVZLKGZSHI-SSDOTTSWSA-N 0 3 229.305 0.618 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000130231013 344124416 /nfs/dbraw/zinc/12/44/16/344124416.db2.gz PJVQQEQSEFYFEB-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN COC(C)(C)CNC(=O)/C=C/CN(C)C ZINC000080701928 344132766 /nfs/dbraw/zinc/13/27/66/344132766.db2.gz ZHSJUEZETZFWBP-VOTSOKGWSA-N 0 3 214.309 0.645 20 0 BCADHN CCN(CC)CC(=O)NCc1ccn(C)c1 ZINC000081447066 344143041 /nfs/dbraw/zinc/14/30/41/344143041.db2.gz OYLNKFCXHXOMPO-UHFFFAOYSA-N 0 3 223.320 0.983 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cn2cccc(C)c2n1 ZINC000130495452 344143167 /nfs/dbraw/zinc/14/31/67/344143167.db2.gz SGVBJEWNNGEBQT-LLVKDONJSA-N 0 3 246.314 0.996 20 0 BCADHN COCCCN(C)[C@@H]1CCCCN(C)C1=O ZINC000634739005 344152425 /nfs/dbraw/zinc/15/24/25/344152425.db2.gz GLPQBSRQQQNVQG-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000634739170 344155902 /nfs/dbraw/zinc/15/59/02/344155902.db2.gz KQJVESVMJJVROK-XHNCKOQMSA-N 0 3 248.273 0.749 20 0 BCADHN CSC[C@@H](C)NC(=O)COC1(C)CNC1 ZINC000165849629 344156400 /nfs/dbraw/zinc/15/64/00/344156400.db2.gz XQKCSJKRXMKOOI-MRVPVSSYSA-N 0 3 232.349 0.233 20 0 BCADHN NC(=O)c1cc(N[C@H]2CCN(C3CC3)C2)ncn1 ZINC000641308482 362355704 /nfs/dbraw/zinc/35/57/04/362355704.db2.gz BKJBJKGTPOCRSV-QMMMGPOBSA-N 0 3 247.302 0.224 20 0 BCADHN CC[C@H](N)C(=O)N1CCOCC(F)(F)C1 ZINC000634740445 344162749 /nfs/dbraw/zinc/16/27/49/344162749.db2.gz XXAXUFDAEHIKBK-ZETCQYMHSA-N 0 3 222.235 0.218 20 0 BCADHN CC(C(=O)N1CC[C@H]1C)S(C)(=O)=O ZINC000306502422 344220589 /nfs/dbraw/zinc/22/05/89/344220589.db2.gz OSSIWQCFGIQAMD-RNFRBKRXSA-N 0 3 205.279 0.040 20 0 BCADHN CCN1CCCN([C@@H](C)C(=O)OC)CC1 ZINC000130346971 344220880 /nfs/dbraw/zinc/22/08/80/344220880.db2.gz BBHYCFDBKFIMKE-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN C[C@@H](CO)CN1CCO[C@H](C(F)F)CC1 ZINC000634757073 344221013 /nfs/dbraw/zinc/22/10/13/344221013.db2.gz KZWZVCDDLVGQDQ-BDAKNGLRSA-N 0 3 223.263 0.971 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@H](C)C(=O)N(C)C ZINC000130480841 344221963 /nfs/dbraw/zinc/22/19/63/344221963.db2.gz JJKBSFDNCGGDIG-IWSPIJDZSA-N 0 3 202.298 0.476 20 0 BCADHN C[C@@H](C(=O)N1CCN(C)[C@@H](C)[C@@H]1C)N(C)C ZINC000678430462 488255998 /nfs/dbraw/zinc/25/59/98/488255998.db2.gz QPMSBYNXPYIDIV-DCAQKATOSA-N 0 3 227.352 0.488 20 0 BCADHN C([C@@H]1CNCCO1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000043803059 344224001 /nfs/dbraw/zinc/22/40/01/344224001.db2.gz OUZPHPCROBZAIA-SDDRHHMPSA-N 0 3 226.320 0.228 20 0 BCADHN CCCC[C@H](COC)N[C@H](C)C(=O)NC ZINC000131212180 344230705 /nfs/dbraw/zinc/23/07/05/344230705.db2.gz SHFRYWYRAWQPTE-NXEZZACHSA-N 0 3 216.325 0.916 20 0 BCADHN CN(C[C@H]1CCCCO1)[C@@H]1COC[C@H]1O ZINC000512197510 529963490 /nfs/dbraw/zinc/96/34/90/529963490.db2.gz QVXYXTHLZVFBGY-GMTAPVOTSA-N 0 3 215.293 0.247 20 0 BCADHN CCCCN1CCC[C@H](NS(C)(=O)=O)C1 ZINC000588754556 344183866 /nfs/dbraw/zinc/18/38/66/344183866.db2.gz JRAQNIOORWWGSR-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN C/C=C\CN[C@H](C)CS(=O)(=O)CC ZINC000384857950 344184803 /nfs/dbraw/zinc/18/48/03/344184803.db2.gz MHBOIOJVAZFDCU-XTULLQBASA-N 0 3 205.323 0.975 20 0 BCADHN CNC(=O)CCN1CCO[C@H](C(F)F)CC1 ZINC000634750918 344201991 /nfs/dbraw/zinc/20/19/91/344201991.db2.gz HWBMTYPRZQOKPZ-QMMMGPOBSA-N 0 3 236.262 0.479 20 0 BCADHN CNCC(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000634752465 344204296 /nfs/dbraw/zinc/20/42/96/344204296.db2.gz MEMKQUPHRJFELC-SSDOTTSWSA-N 0 3 222.235 0.088 20 0 BCADHN CC[C@@H](O)CN[C@H](C(N)=O)C(C)(C)C ZINC000128203567 344204771 /nfs/dbraw/zinc/20/47/71/344204771.db2.gz UKGVHMQMJZRPQZ-HTQZYQBOSA-N 0 3 202.298 0.247 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000634752776 344205292 /nfs/dbraw/zinc/20/52/92/344205292.db2.gz SICVWJHGVGNOAD-BQBZGAKWSA-N 0 3 222.235 0.216 20 0 BCADHN C[C@H](CNc1nccnc1C(N)=O)N(C)C1CC1 ZINC000641340340 362370366 /nfs/dbraw/zinc/37/03/66/362370366.db2.gz XDPUKEYQNQYHBU-MRVPVSSYSA-N 0 3 249.318 0.470 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000408222359 344260265 /nfs/dbraw/zinc/26/02/65/344260265.db2.gz ACBWTPIBASQBJU-FXPVBKGRSA-N 0 3 241.335 0.110 20 0 BCADHN C[C@H]1C[C@H](NC(=O)c2cnccn2)CCN1C ZINC000408222534 344260788 /nfs/dbraw/zinc/26/07/88/344260788.db2.gz AYXPCAOTSVXFPY-VHSXEESVSA-N 0 3 234.303 0.689 20 0 BCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000408225181 344263277 /nfs/dbraw/zinc/26/32/77/344263277.db2.gz IXFBPKFLWOJJDZ-GXSJLCMTSA-N 0 3 241.335 0.064 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)CC1CC1 ZINC000408232970 344268434 /nfs/dbraw/zinc/26/84/34/344268434.db2.gz RHXWJHUHVPCPMJ-ZETCQYMHSA-N 0 3 219.306 0.288 20 0 BCADHN COCCN1CC[C@H](Nc2ncncc2C)C1 ZINC000641362207 362375934 /nfs/dbraw/zinc/37/59/34/362375934.db2.gz CDDZAHJVNHKMPM-NSHDSACASA-N 0 3 236.319 0.918 20 0 BCADHN NC(C(=O)N[C@@H]1CCSC1)C(F)(F)F ZINC000306589549 344282748 /nfs/dbraw/zinc/28/27/48/344282748.db2.gz OKBJAKIPDANOSK-RFZPGFLSSA-N 0 3 228.239 0.498 20 0 BCADHN CCN[C@@H](C)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634773558 344291565 /nfs/dbraw/zinc/29/15/65/344291565.db2.gz IIEQLDLZPNGFAV-LPEHRKFASA-N 0 3 212.293 0.089 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634773965 344293080 /nfs/dbraw/zinc/29/30/80/344293080.db2.gz XLWHBFOZRWRSAP-TUAOUCFPSA-N 0 3 240.347 0.855 20 0 BCADHN NC1(C(=O)N2C[C@@H]3COC[C@@H]3C2)CCCCC1 ZINC000634774198 344294005 /nfs/dbraw/zinc/29/40/05/344294005.db2.gz GIDYSPJYDKXCQS-PHIMTYICSA-N 0 3 238.331 0.753 20 0 BCADHN CCC[C@](C)(N)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774034 344294166 /nfs/dbraw/zinc/29/41/66/344294166.db2.gz AHJUPVZMGRNHJI-UMNHJUIQSA-N 0 3 226.320 0.609 20 0 BCADHN CNC(=O)CCCN(C)[C@H](C)C[S@@](C)=O ZINC000569549808 344310507 /nfs/dbraw/zinc/31/05/07/344310507.db2.gz GXAJPGOQBMFCKN-RFAUZJTJSA-N 0 3 234.365 0.211 20 0 BCADHN FC1(F)C[C@H]1OCCN1C[C@@H]2COC[C@@H]2C1 ZINC000634779291 344311655 /nfs/dbraw/zinc/31/16/55/344311655.db2.gz KQMVMRXZESMVGX-KXUCPTDWSA-N 0 3 233.258 0.989 20 0 BCADHN CC[C@@H](O)CNC1(C(N)=O)CCCCC1 ZINC000133098667 344312697 /nfs/dbraw/zinc/31/26/97/344312697.db2.gz QQJYYZSIRIBNGV-SECBINFHSA-N 0 3 214.309 0.535 20 0 BCADHN O[C@@H](CN1C[C@@H]2COC[C@@H]2C1)C(F)(F)F ZINC000634780047 344316694 /nfs/dbraw/zinc/31/66/94/344316694.db2.gz QJRBVZNNCWUHQQ-RNJXMRFFSA-N 0 3 225.210 0.488 20 0 BCADHN CN1CCC(C(=O)N2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634779897 344317311 /nfs/dbraw/zinc/31/73/11/344317311.db2.gz KOIMTNDSLXSQSK-TXEJJXNPSA-N 0 3 238.331 0.433 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CC=CC1 ZINC000636791514 349909095 /nfs/dbraw/zinc/90/90/95/349909095.db2.gz WZZJCPSZLXKJHR-SNVBAGLBSA-N 0 3 221.304 0.805 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634782198 344324318 /nfs/dbraw/zinc/32/43/18/344324318.db2.gz FCXJNWLMGZSVKP-KXNHARMFSA-N 0 3 240.347 0.868 20 0 BCADHN CCCCNC(=O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634783680 344328322 /nfs/dbraw/zinc/32/83/22/344328322.db2.gz KHGMDYPIZCEXCZ-PHIMTYICSA-N 0 3 226.320 0.481 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)N)c1ccc2c(c1)OCO2 ZINC000035222963 344329225 /nfs/dbraw/zinc/32/92/25/344329225.db2.gz TVUKFWMKQQUPOV-JGVFFNPUSA-N 0 3 236.271 0.940 20 0 BCADHN CCOC1CCN(CCN2CCOCC2)CC1 ZINC000600625527 344343353 /nfs/dbraw/zinc/34/33/53/344343353.db2.gz BCGHSMPMQGLIAP-UHFFFAOYSA-N 0 3 242.363 0.820 20 0 BCADHN CSCC[C@@H](N)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000131863372 344355225 /nfs/dbraw/zinc/35/52/25/344355225.db2.gz CVMQUVZGLISJAB-KXUCPTDWSA-N 0 3 245.392 0.276 20 0 BCADHN CN[C@@H](C)C(=O)NCCNc1ccccn1 ZINC000584301397 344437816 /nfs/dbraw/zinc/43/78/16/344437816.db2.gz SPJRQHKRBJMWGY-VIFPVBQESA-N 0 3 222.292 0.218 20 0 BCADHN C[C@H](N)C(=O)NCCOc1ccc(F)cc1 ZINC000041247002 344432221 /nfs/dbraw/zinc/43/22/21/344432221.db2.gz GPAZSDXGONKJES-QMMMGPOBSA-N 0 3 226.251 0.668 20 0 BCADHN CS[C@H](C)CC(=O)NCCN1CC[C@H](O)C1 ZINC000600808415 344377489 /nfs/dbraw/zinc/37/74/89/344377489.db2.gz NUMRIECQDIYWIK-ZJUUUORDSA-N 0 3 246.376 0.311 20 0 BCADHN C[C@H]1CC[C@H](C)N(CC(=O)N2CCNC2=O)C1 ZINC000072896953 344384863 /nfs/dbraw/zinc/38/48/63/344384863.db2.gz KBHGCYHTRGCDIX-UWVGGRQHSA-N 0 3 239.319 0.659 20 0 BCADHN Cc1nc(N2CCN[C@H](C)C2)cc2nncn21 ZINC000634807757 344391763 /nfs/dbraw/zinc/39/17/63/344391763.db2.gz ZXLSMBXFFCHAJX-MRVPVSSYSA-N 0 3 232.291 0.231 20 0 BCADHN COCc1cc(N2CCN[C@H](C)C2)ncn1 ZINC000634807460 344391929 /nfs/dbraw/zinc/39/19/29/344391929.db2.gz NGEJJUIXNZWIMT-SECBINFHSA-N 0 3 222.292 0.421 20 0 BCADHN COc1c(C)ncnc1N1CCN[C@H](C)C1 ZINC000634807738 344392547 /nfs/dbraw/zinc/39/25/47/344392547.db2.gz ZAERBLLGDWWXAZ-MRVPVSSYSA-N 0 3 222.292 0.592 20 0 BCADHN c1[n-][nH]c2ncnc(=N[C@H]3CCC[NH2+]CC3)c1-2 ZINC000634813626 344399033 /nfs/dbraw/zinc/39/90/33/344399033.db2.gz RTAXUHRXJKUZCJ-QMMMGPOBSA-N 0 3 232.291 0.280 20 0 BCADHN CC(C)(C)[C@@H](NC[C@@H]1CCCO1)C(N)=O ZINC000041051713 344416516 /nfs/dbraw/zinc/41/65/16/344416516.db2.gz XZPGTAIGHJXQTG-IUCAKERBSA-N 0 3 214.309 0.655 20 0 BCADHN CSCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000609383339 344440665 /nfs/dbraw/zinc/44/06/65/344440665.db2.gz MFPTVUUYESFVKV-JTQLQIEISA-N 0 3 228.361 0.950 20 0 BCADHN CN(CCC(N)=O)C[C@@H]1CCCCO1 ZINC000042288053 344449000 /nfs/dbraw/zinc/44/90/00/344449000.db2.gz LRTPTUBADAWUBD-VIFPVBQESA-N 0 3 200.282 0.363 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CC[C@H]1O)N(CC)CC ZINC000425052226 192072141 /nfs/dbraw/zinc/07/21/41/192072141.db2.gz SZAQHMAWFDQTBX-OUAUKWLOSA-N 0 3 228.336 0.746 20 0 BCADHN COC(=O)CCCN1CCCC[C@@H]1CO ZINC000042432351 344452671 /nfs/dbraw/zinc/45/26/71/344452671.db2.gz NMFWGXRYAIFYBL-SNVBAGLBSA-N 0 3 215.293 0.786 20 0 BCADHN C[C@H](NC1CC1)C(=O)Nc1nncs1 ZINC000306853552 344461027 /nfs/dbraw/zinc/46/10/27/344461027.db2.gz TZNNKWISPFLLQA-YFKPBYRVSA-N 0 3 212.278 0.617 20 0 BCADHN C[C@@H]1C[C@H](Nc2nccnc2C(N)=O)CCN1C ZINC000641396284 362392519 /nfs/dbraw/zinc/39/25/19/362392519.db2.gz KSFMNIGBXWZRDR-RKDXNWHRSA-N 0 3 249.318 0.470 20 0 BCADHN CN(C)C(=O)CCN1CCCC[C@@]1(C)C(N)=O ZINC000408205359 344471169 /nfs/dbraw/zinc/47/11/69/344471169.db2.gz QEVSVNSPPOFKDS-LBPRGKRZSA-N 0 3 241.335 0.195 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N1CC[C@H](CO)C1 ZINC000119739639 344474555 /nfs/dbraw/zinc/47/45/55/344474555.db2.gz DBIAGGMXCAXCDS-QWRGUYRKSA-N 0 3 241.335 0.104 20 0 BCADHN CN1CC[C@@H]2CN(c3cc(C#N)ncn3)C[C@@H]2C1 ZINC000381167697 344482374 /nfs/dbraw/zinc/48/23/74/344482374.db2.gz AUPCEFABJYJZEJ-MNOVXSKESA-N 0 3 243.314 0.736 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000037043119 344486126 /nfs/dbraw/zinc/48/61/26/344486126.db2.gz QMTJCMTWDCQXDS-CBAPKCEASA-N 0 3 222.292 0.261 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000037032989 344486966 /nfs/dbraw/zinc/48/69/66/344486966.db2.gz FHQCEVNABCBLNZ-QMMMGPOBSA-N 0 3 248.286 0.502 20 0 BCADHN CC[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)C ZINC000408327639 344508217 /nfs/dbraw/zinc/50/82/17/344508217.db2.gz FRYPIRIWZBZYBI-JTQLQIEISA-N 0 3 241.335 0.051 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)C2(O)CCC2)C1 ZINC000408314266 344488643 /nfs/dbraw/zinc/48/86/43/344488643.db2.gz SBUDPFCJRJEPIO-LLVKDONJSA-N 0 3 240.347 0.750 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H]2CCCCN2)CCO1 ZINC000037117241 344495617 /nfs/dbraw/zinc/49/56/17/344495617.db2.gz ZGTHPRZDIDKKAV-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1C[C@H](Nc2cc(C(N)=O)ncn2)CCN1C ZINC000641395534 362395126 /nfs/dbraw/zinc/39/51/26/362395126.db2.gz DXWFBYFREQCXDU-RKDXNWHRSA-N 0 3 249.318 0.470 20 0 BCADHN Cc1nc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)n[nH]1 ZINC000381535778 344518747 /nfs/dbraw/zinc/51/87/47/344518747.db2.gz GPPOAFYSWSIZCT-IVZWLZJFSA-N 0 3 222.292 0.316 20 0 BCADHN Cc1ncc(CN[C@H]2CCCN(C)C2)cn1 ZINC000381590511 344524315 /nfs/dbraw/zinc/52/43/15/344524315.db2.gz GKQHCNJFQTXKEZ-LBPRGKRZSA-N 0 3 220.320 0.969 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000381613410 344525543 /nfs/dbraw/zinc/52/55/43/344525543.db2.gz VWQOLDDVIGFKNH-QMMMGPOBSA-N 0 3 224.308 0.973 20 0 BCADHN CSCCNC(=O)[C@@H](N)C(C)(C)C ZINC000069013465 344535821 /nfs/dbraw/zinc/53/58/21/344535821.db2.gz GVQDHNRCLVCPPM-SSDOTTSWSA-N 0 3 204.339 0.839 20 0 BCADHN CSCCNC(=O)[C@H]1CCCCN1 ZINC000069013743 344537317 /nfs/dbraw/zinc/53/73/17/344537317.db2.gz GAAWMPNNIFRZPA-MRVPVSSYSA-N 0 3 202.323 0.608 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC[C@H]1O ZINC000425051545 192072225 /nfs/dbraw/zinc/07/22/25/192072225.db2.gz QVSAEZZQRJSFDI-LMLFDSFASA-N 0 3 226.320 0.499 20 0 BCADHN CCC[C@](C)(N)C(=O)N(CCOC)CCOC ZINC000037621578 344553401 /nfs/dbraw/zinc/55/34/01/344553401.db2.gz QCKMITQIBLMXCY-LBPRGKRZSA-N 0 3 246.351 0.625 20 0 BCADHN CNC(=O)CCN[C@@H](C)c1cnn(C)c1 ZINC000044990670 344554259 /nfs/dbraw/zinc/55/42/59/344554259.db2.gz XNMUOCDMNNZNCE-QMMMGPOBSA-N 0 3 210.281 0.207 20 0 BCADHN CC(C)CN(C(=O)CN1CCNCC1)C(C)C ZINC000037810215 344591961 /nfs/dbraw/zinc/59/19/61/344591961.db2.gz PKHSIVZPOSAEFY-UHFFFAOYSA-N 0 3 241.379 0.785 20 0 BCADHN CCS(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000048905558 344593267 /nfs/dbraw/zinc/59/32/67/344593267.db2.gz JAMZNOLCJLFGNK-VHSXEESVSA-N 0 3 232.349 0.553 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1CCCCN1 ZINC000037823434 344593542 /nfs/dbraw/zinc/59/35/42/344593542.db2.gz PZLXSAUXTRQNPH-ZJUUUORDSA-N 0 3 242.319 0.396 20 0 BCADHN 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0.391 20 0 BCADHN COCC[C@@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000154864582 345056277 /nfs/dbraw/zinc/05/62/77/345056277.db2.gz FOPUSHRMAALUNU-PSASIEDQSA-N 0 3 218.272 0.229 20 0 BCADHN CCN(CC)[C@@H](C)CNC(=O)C1CC(=O)C1 ZINC000154914172 345056741 /nfs/dbraw/zinc/05/67/41/345056741.db2.gz MNYHPZQJYGQRHC-VIFPVBQESA-N 0 3 226.320 0.812 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1CCCN(C)CC1 ZINC000335375390 534986570 /nfs/dbraw/zinc/98/65/70/534986570.db2.gz CYXPLBHUIQJGJY-LBPRGKRZSA-N 0 3 241.379 0.879 20 0 BCADHN CN(C)C[C@@H](CO)Nc1cc(C2CC2)ncn1 ZINC000641599844 362540366 /nfs/dbraw/zinc/54/03/66/362540366.db2.gz NRIBNLFJBBYRJE-JTQLQIEISA-N 0 3 236.319 0.688 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CCN[C@H](C)C1 ZINC000155004932 345063281 /nfs/dbraw/zinc/06/32/81/345063281.db2.gz XPPKRQIIJMJSOW-NEPJUHHUSA-N 0 3 239.363 0.681 20 0 BCADHN CC(C)[C@H](C(=O)N1CCN[C@H](C)C1)N(C)C ZINC000155058246 345065238 /nfs/dbraw/zinc/06/52/38/345065238.db2.gz VCCAARAVNKDLBO-GHMZBOCLSA-N 0 3 227.352 0.393 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCN[C@@H](C)C1)N(C)C ZINC000155088387 345066539 /nfs/dbraw/zinc/06/65/39/345066539.db2.gz VCCAARAVNKDLBO-QWRGUYRKSA-N 0 3 227.352 0.393 20 0 BCADHN CN(C[C@@H]1CCCN1C)c1cc(C(N)=O)ncn1 ZINC000641640419 362569764 /nfs/dbraw/zinc/56/97/64/362569764.db2.gz PEUNIODLWKAMTN-VIFPVBQESA-N 0 3 249.318 0.106 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000155563338 345090509 /nfs/dbraw/zinc/09/05/09/345090509.db2.gz AUAAXKVKATUBDX-GVXVVHGQSA-N 0 3 240.347 0.999 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN(CC2CCCC2)C1 ZINC000155791120 345103554 /nfs/dbraw/zinc/10/35/54/345103554.db2.gz FSAKVYJMGLDBOY-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN CNC(=O)N[C@@H]1CCN(C[C@@H]2CC[C@H](C)O2)C1 ZINC000408307910 345104856 /nfs/dbraw/zinc/10/48/56/345104856.db2.gz GFIAAENKLAFFCG-AXFHLTTASA-N 0 3 241.335 0.557 20 0 BCADHN CCO[C@H]1C[C@H]1C(=O)NC1CCN(C)CC1 ZINC000080157541 345108988 /nfs/dbraw/zinc/10/89/88/345108988.db2.gz KDHQTXTUKVMPKP-MNOVXSKESA-N 0 3 226.320 0.622 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)C1(O)CCC1 ZINC000408311525 345114284 /nfs/dbraw/zinc/11/42/84/345114284.db2.gz ZLWWBMVRDPBPBJ-SNVBAGLBSA-N 0 3 226.320 0.502 20 0 BCADHN OCCCN1CCC[C@H]1CNCc1ccon1 ZINC000634982442 345162966 /nfs/dbraw/zinc/16/29/66/345162966.db2.gz LTZARMWLSDYJTI-LBPRGKRZSA-N 0 3 239.319 0.611 20 0 BCADHN OCCCN1CCC[C@@H]1CNCc1ccon1 ZINC000634982441 345163049 /nfs/dbraw/zinc/16/30/49/345163049.db2.gz LTZARMWLSDYJTI-GFCCVEGCSA-N 0 3 239.319 0.611 20 0 BCADHN CN1CCC[C@@H](CNc2cncc3nncn32)C1 ZINC000561635101 345167166 /nfs/dbraw/zinc/16/71/66/345167166.db2.gz AZZOEKLGOBDIBU-JTQLQIEISA-N 0 3 246.318 0.878 20 0 BCADHN O[C@@H]1COC[C@@H]1NCc1ccc2nccnc2c1 ZINC000634988418 345170767 /nfs/dbraw/zinc/17/07/67/345170767.db2.gz WAEFLIWQTQETMP-QWHCGFSZSA-N 0 3 245.282 0.479 20 0 BCADHN OCCOCCNCc1ccc2nccnc2c1 ZINC000634950519 345127546 /nfs/dbraw/zinc/12/75/46/345127546.db2.gz VIYIPVWWTFCVDU-UHFFFAOYSA-N 0 3 247.298 0.728 20 0 BCADHN COCCN1CCC[C@@H]1CNCc1ccon1 ZINC000634959030 345132604 /nfs/dbraw/zinc/13/26/04/345132604.db2.gz GFPQEDMQIKPRGV-GFCCVEGCSA-N 0 3 239.319 0.875 20 0 BCADHN CN(C(=O)[C@H]1C[C@@H](O)C1)C1CCN(C)CC1 ZINC000635059419 345232854 /nfs/dbraw/zinc/23/28/54/345232854.db2.gz NOSUCRBCOREIJN-JGZJWPJOSA-N 0 3 226.320 0.310 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1[nH]cnc1C ZINC000635138043 345256142 /nfs/dbraw/zinc/25/61/42/345256142.db2.gz TZMYMZHJCRRIIA-JTQLQIEISA-N 0 3 236.319 0.932 20 0 BCADHN CCc1c[nH]c(CC(=O)NCCN(C)C)n1 ZINC000635069201 345236439 /nfs/dbraw/zinc/23/64/39/345236439.db2.gz NVJDJRLEEDINCB-UHFFFAOYSA-N 0 3 224.308 0.192 20 0 BCADHN CCC(C)(C)[C@@H](O)C(=O)NCCN1CCCC1 ZINC000635135442 345256715 /nfs/dbraw/zinc/25/67/15/345256715.db2.gz PYYPMSJBVAFGGA-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN O=C(NCCN1CCCC1)c1coc(CO)c1 ZINC000635135472 345256822 /nfs/dbraw/zinc/25/68/22/345256822.db2.gz QRLIBOVNEACFRR-UHFFFAOYSA-N 0 3 238.287 0.598 20 0 BCADHN CCc1nc(NC(=O)[C@H](CN)OC)sc1C ZINC000227377798 345252341 /nfs/dbraw/zinc/25/23/41/345252341.db2.gz JWDIDNSELLXNSU-QMMMGPOBSA-N 0 3 243.332 0.926 20 0 BCADHN CCC(O)(CC)CN(C)C[C@@](C)(O)C(C)=O ZINC000626112403 345280361 /nfs/dbraw/zinc/28/03/61/345280361.db2.gz YDDYKEYYIGDLAR-LLVKDONJSA-N 0 3 231.336 0.809 20 0 BCADHN O=C(NCCCO)[C@@H]1CCN1C1CCCC1 ZINC000635247979 345284534 /nfs/dbraw/zinc/28/45/34/345284534.db2.gz FMWCEGZUMZJZNU-NSHDSACASA-N 0 3 226.320 0.502 20 0 BCADHN CCSCC[C@@H](C)NC(=O)CNCCOC ZINC000158315295 345322542 /nfs/dbraw/zinc/32/25/42/345322542.db2.gz LWZLJFDSRWPVEK-SNVBAGLBSA-N 0 3 248.392 0.870 20 0 BCADHN CCC(C)(C)[C@@H](O)C(=O)NC[C@@H](C)N(C)C ZINC000635255308 345289005 /nfs/dbraw/zinc/28/90/05/345289005.db2.gz PXLKDOPLGVKXKQ-ZJUUUORDSA-N 0 3 230.352 0.850 20 0 BCADHN CCC(C)(C)[C@H](O)C(=O)NC[C@H](C)N(C)C ZINC000635255307 345289099 /nfs/dbraw/zinc/28/90/99/345289099.db2.gz PXLKDOPLGVKXKQ-VHSXEESVSA-N 0 3 230.352 0.850 20 0 BCADHN CNCC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000158352528 345323091 /nfs/dbraw/zinc/32/30/91/345323091.db2.gz BECADPKXUXSVSE-SFYZADRCSA-N 0 3 202.323 0.558 20 0 BCADHN C[NH+](C)CCSCCc1nnn[n-]1 ZINC000603333711 349926366 /nfs/dbraw/zinc/92/63/66/349926366.db2.gz HXYWARWFHUTPRG-UHFFFAOYSA-N 0 3 201.299 0.037 20 0 BCADHN C[NH+](C)CCSCCc1nn[n-]n1 ZINC000603333711 349926369 /nfs/dbraw/zinc/92/63/69/349926369.db2.gz HXYWARWFHUTPRG-UHFFFAOYSA-N 0 3 201.299 0.037 20 0 BCADHN C[C@H](C(=O)NCCN1CCCCC1)N(C)C ZINC000635307224 345300049 /nfs/dbraw/zinc/30/00/49/345300049.db2.gz JFMABKJFIFCLCR-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN COCC[C@@H](C)N1CCN2C(=O)NC[C@@H]2C1 ZINC000446782846 537895331 /nfs/dbraw/zinc/89/53/31/537895331.db2.gz ZLRGPGPLNTVTSM-NXEZZACHSA-N 0 3 227.308 0.121 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCc1ncc[nH]1 ZINC000158547775 345344751 /nfs/dbraw/zinc/34/47/51/345344751.db2.gz HWQRFCVMWCHVQO-WPRPVWTQSA-N 0 3 224.308 0.442 20 0 BCADHN CC1(C)C[C@@H]1NC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC000635406978 345351037 /nfs/dbraw/zinc/35/10/37/345351037.db2.gz POSLPIUCXJUEEY-AXFHLTTASA-N 0 3 238.331 0.764 20 0 BCADHN COCC[C@H](C)N1CCN2C(=O)NC[C@H]2C1 ZINC000446782847 537895678 /nfs/dbraw/zinc/89/56/78/537895678.db2.gz ZLRGPGPLNTVTSM-UWVGGRQHSA-N 0 3 227.308 0.121 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1[C@@H]1CCN(C)C1=O ZINC000158763227 345375133 /nfs/dbraw/zinc/37/51/33/345375133.db2.gz LOIVCWREWUADAH-HBNTYKKESA-N 0 3 226.320 0.452 20 0 BCADHN Cc1nc[nH]c1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000635480812 345390281 /nfs/dbraw/zinc/39/02/81/345390281.db2.gz GCDZDWKOZHEEPK-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN CCC1(CNC(=O)C(=O)N(C)[C@@H](C)CN)CC1 ZINC000418874902 192088084 /nfs/dbraw/zinc/08/80/84/192088084.db2.gz VORKABATCSWDIZ-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN CCN1C[C@H](C)N(Cc2nnnn2C)[C@@H](C)C1 ZINC000408470483 345326044 /nfs/dbraw/zinc/32/60/44/345326044.db2.gz WECUQLKHLHNBOG-UWVGGRQHSA-N 0 3 238.339 0.125 20 0 BCADHN CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H](O)C1 ZINC000635511302 345407585 /nfs/dbraw/zinc/40/75/85/345407585.db2.gz JDJXDZCYGGGICE-SDDRHHMPSA-N 0 3 240.347 0.700 20 0 BCADHN CCC(CC)C(=O)NCC1(O)CCN(C)CC1 ZINC000080891076 345453507 /nfs/dbraw/zinc/45/35/07/345453507.db2.gz DCNKWDULBQGEDS-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN CNC(=O)c1cccnc1N(C)CCN(C)C ZINC000080684970 345431292 /nfs/dbraw/zinc/43/12/92/345431292.db2.gz HTNSHFAOUGZYRD-UHFFFAOYSA-N 0 3 236.319 0.439 20 0 BCADHN CCOC(=O)CCN1CCC(OCCO)CC1 ZINC000135385327 345439692 /nfs/dbraw/zinc/43/96/92/345439692.db2.gz IYQGYRJNMVJNKG-UHFFFAOYSA-N 0 3 245.319 0.413 20 0 BCADHN CCOC(=O)CNC(=O)[C@@]1(C)CCCCN1 ZINC000159560597 345441419 /nfs/dbraw/zinc/44/14/19/345441419.db2.gz YCRNCSBCMXOYDI-LLVKDONJSA-N 0 3 228.292 0.198 20 0 BCADHN C[C@]1(C(=O)NC[C@@H]2CCCO2)CCCCN1 ZINC000159547201 345442129 /nfs/dbraw/zinc/44/21/29/345442129.db2.gz OOKVHNTWNNKVDV-CMPLNLGQSA-N 0 3 226.320 0.814 20 0 BCADHN C[C@@]1(C(=O)NC[C@H]2CCCO2)CCCCN1 ZINC000159547562 345442306 /nfs/dbraw/zinc/44/23/06/345442306.db2.gz OOKVHNTWNNKVDV-PWSUYJOCSA-N 0 3 226.320 0.814 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H](CCO)C(C)C ZINC000159599476 345445124 /nfs/dbraw/zinc/44/51/24/345445124.db2.gz VMAYMANXJZMRDN-UWVGGRQHSA-N 0 3 248.392 0.590 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@@H](CCO)C(C)C ZINC000159601032 345445664 /nfs/dbraw/zinc/44/56/64/345445664.db2.gz VMAYMANXJZMRDN-ZJUUUORDSA-N 0 3 248.392 0.590 20 0 BCADHN Cc1nc[nH]c1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000635489538 345396318 /nfs/dbraw/zinc/39/63/18/345396318.db2.gz FMFPBOVQPIZBPQ-QMMMGPOBSA-N 0 3 236.319 0.931 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N2CCCNCC2)CCO1 ZINC000082239963 345496636 /nfs/dbraw/zinc/49/66/36/345496636.db2.gz JBGBNWUCRPTKRE-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN Cc1nnsc1C(=O)NC1CCN(C)CC1 ZINC000082270233 345500084 /nfs/dbraw/zinc/50/00/84/345500084.db2.gz GEDPLZHQYAUGMJ-UHFFFAOYSA-N 0 3 240.332 0.671 20 0 BCADHN CN1CCN(C(=O)CN)Cc2ccccc21 ZINC000082276501 345500406 /nfs/dbraw/zinc/50/04/06/345500406.db2.gz UDRAUSYPVBEZPD-UHFFFAOYSA-N 0 3 219.288 0.424 20 0 BCADHN C[C@H](C(=O)N[C@@H]1CCN(CC2CC2)C1)N(C)C ZINC000635538215 345506715 /nfs/dbraw/zinc/50/67/15/345506715.db2.gz IZSGPIXOEIMBKT-ZYHUDNBSSA-N 0 3 239.363 0.537 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCSC1 ZINC000081037602 345459071 /nfs/dbraw/zinc/45/90/71/345459071.db2.gz MVUGRUMABOMEPF-SECBINFHSA-N 0 3 216.350 0.948 20 0 BCADHN CC[C@@H](NC[C@@]1(O)CCOC1)c1cnn(C)c1 ZINC000090849957 345577562 /nfs/dbraw/zinc/57/75/62/345577562.db2.gz SKUXECWESAXLGZ-NEPJUHHUSA-N 0 3 239.319 0.612 20 0 BCADHN CC(C)N(C)CC(=O)NCCc1cnccn1 ZINC000342426395 534998527 /nfs/dbraw/zinc/99/85/27/534998527.db2.gz RPQCCXXSYWFGJP-UHFFFAOYSA-N 0 3 236.319 0.476 20 0 BCADHN CCOCC(=O)N[C@H]1CCCN(C)C1 ZINC000070227675 345540373 /nfs/dbraw/zinc/54/03/73/345540373.db2.gz NOLQOSPHVUCBFB-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN C[C@H]1CN(CC2(CO)COC2)C[C@H](C)S1 ZINC000089131427 345549160 /nfs/dbraw/zinc/54/91/60/345549160.db2.gz DHGWWJWSXQDZLW-UWVGGRQHSA-N 0 3 231.361 0.821 20 0 BCADHN COCc1nc(C)cc(NCCN(C)C)n1 ZINC000090998452 345579221 /nfs/dbraw/zinc/57/92/21/345579221.db2.gz QHAIEQXOZHMMDC-UHFFFAOYSA-N 0 3 224.308 0.905 20 0 BCADHN Cc1nc[nH]c1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000635539029 345512170 /nfs/dbraw/zinc/51/21/70/345512170.db2.gz ABSVZVATQKACHJ-JTQLQIEISA-N 0 3 236.319 0.790 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N[C@H](C)C1CCCC1 ZINC000418900927 192088840 /nfs/dbraw/zinc/08/88/40/192088840.db2.gz KVVOZKSILJMVOS-RKDXNWHRSA-N 0 3 241.335 0.145 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(=O)OC ZINC000084371517 345519404 /nfs/dbraw/zinc/51/94/04/345519404.db2.gz HSOLVYRDVBXGJA-NXEZZACHSA-N 0 3 244.335 0.640 20 0 BCADHN C[C@@H](O)CN(C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000091218070 345594031 /nfs/dbraw/zinc/59/40/31/345594031.db2.gz LCYFARHGFFJLPN-VHSXEESVSA-N 0 3 243.351 0.491 20 0 BCADHN C[C@H](CNC(=O)N(C)C[C@H](C)O)N(C)C1CC1 ZINC000091218073 345594188 /nfs/dbraw/zinc/59/41/88/345594188.db2.gz LCYFARHGFFJLPN-ZJUUUORDSA-N 0 3 243.351 0.491 20 0 BCADHN CCCCN(C)CCNC(=O)N(C)C[C@@H](C)O ZINC000091220068 345594200 /nfs/dbraw/zinc/59/42/00/345594200.db2.gz GNGLYGBNZPMWFI-LLVKDONJSA-N 0 3 245.367 0.741 20 0 BCADHN CCOC[C@H](O)CNCCC(F)(F)F ZINC000068952808 349932566 /nfs/dbraw/zinc/93/25/66/349932566.db2.gz SARDZWMJCKOHNE-SSDOTTSWSA-N 0 3 215.215 0.926 20 0 BCADHN CN(C(=O)[C@H]1C[C@@H](O)C1)[C@H]1CN2CCC1CC2 ZINC000635549465 345603027 /nfs/dbraw/zinc/60/30/27/345603027.db2.gz NEVOCWJLJXCLAJ-TUAOUCFPSA-N 0 3 238.331 0.310 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN(CC(C)(C)C)C1 ZINC000092067951 345615212 /nfs/dbraw/zinc/61/52/12/345615212.db2.gz SMFYOTVNVKVNSA-SECBINFHSA-N 0 3 234.365 0.656 20 0 BCADHN CCCNC(=O)CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626136708 345616127 /nfs/dbraw/zinc/61/61/27/345616127.db2.gz GODBHTRNNRDBNJ-HOSYDEDBSA-N 0 3 226.320 0.358 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626137118 345617337 /nfs/dbraw/zinc/61/73/37/345617337.db2.gz UUXQVCRSBXPDAT-DMDPSCGWSA-N 0 3 240.347 0.700 20 0 BCADHN COCCN(C)CCNC(=O)[C@H]1CCO[C@@H]1C ZINC000092389668 345618356 /nfs/dbraw/zinc/61/83/56/345618356.db2.gz BUBTVSOOBZVMJK-MNOVXSKESA-N 0 3 244.335 0.106 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000092415169 345619334 /nfs/dbraw/zinc/61/93/34/345619334.db2.gz IEVYNRUDEVOVFH-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H]1OCC[C@H]1C(=O)N(C)CCN1CCCC1 ZINC000092411246 345619413 /nfs/dbraw/zinc/61/94/13/345619413.db2.gz YJLPLEMQGWGQRF-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)NCCN(C)C1CC1 ZINC000092338936 345631405 /nfs/dbraw/zinc/63/14/05/345631405.db2.gz SNTSZZLQXTXJQE-GXSJLCMTSA-N 0 3 226.320 0.622 20 0 BCADHN CCC[C@@H](N)c1cn([C@@H](C)C(=O)OC)nn1 ZINC000600976918 345584591 /nfs/dbraw/zinc/58/45/91/345584591.db2.gz WPUYMEORLAUQAR-JGVFFNPUSA-N 0 3 226.280 0.812 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)[C@@H](C)N(C)C ZINC000635548945 345591397 /nfs/dbraw/zinc/59/13/97/345591397.db2.gz ZHALUDOHGANDFR-NEPJUHHUSA-N 0 3 241.379 0.927 20 0 BCADHN C[C@H]1CN(CC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000093177591 345658742 /nfs/dbraw/zinc/65/87/42/345658742.db2.gz CEFPGXTYGPNJIT-TXEJJXNPSA-N 0 3 239.363 0.348 20 0 BCADHN C[C@H](O)CNCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641701545 362613836 /nfs/dbraw/zinc/61/38/36/362613836.db2.gz UTXGWBOFGCYAID-ZETCQYMHSA-N 0 3 221.260 0.739 20 0 BCADHN C[C@H](CN1CCCC1=O)NCc1ccncc1N ZINC000641707255 362615482 /nfs/dbraw/zinc/61/54/82/362615482.db2.gz DDJFYLQATAIRJB-SNVBAGLBSA-N 0 3 248.330 0.764 20 0 BCADHN CC(C)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673516342 488291906 /nfs/dbraw/zinc/29/19/06/488291906.db2.gz OEKIIHKJSIMTOV-MNOVXSKESA-N 0 3 226.320 0.310 20 0 BCADHN C[C@H](NC[C@@H](O)CN(C)C)c1ccc(F)cn1 ZINC000092747268 345642597 /nfs/dbraw/zinc/64/25/97/345642597.db2.gz HVOOELAIZXUMGP-GXSJLCMTSA-N 0 3 241.310 0.794 20 0 BCADHN C[C@@H]1CCN(C[C@H](O)COC(C)(C)C)C[C@@H]1O ZINC000093333723 345652932 /nfs/dbraw/zinc/65/29/32/345652932.db2.gz XQMIFHYHDKSGIH-WOPDTQHZSA-N 0 3 245.363 0.865 20 0 BCADHN CCOC(=O)CCN1CC[C@H](C)[C@H](O)C1 ZINC000093343558 345653484 /nfs/dbraw/zinc/65/34/84/345653484.db2.gz ZTMURAQVEHKILS-VHSXEESVSA-N 0 3 215.293 0.642 20 0 BCADHN CNC(=O)CCN1C[C@H](C)OC(C)(C)C1 ZINC000140622132 345696800 /nfs/dbraw/zinc/69/68/00/345696800.db2.gz BONPIRLAASJXNA-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN Cc1cccc(C(=O)N[C@H](CO)CN(C)C)c1 ZINC000673522220 488292151 /nfs/dbraw/zinc/29/21/51/488292151.db2.gz TZBAYTPENWMSEQ-LBPRGKRZSA-N 0 3 236.315 0.647 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C1(C)CCC1 ZINC000673519649 488292571 /nfs/dbraw/zinc/29/25/71/488292571.db2.gz CEYRBZNZVRUWBH-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN Cc1ccc(C(=O)N[C@H](CO)CN(C)C)o1 ZINC000673521341 488292613 /nfs/dbraw/zinc/29/26/13/488292613.db2.gz AMOAKNOUSJYRPW-VIFPVBQESA-N 0 3 226.276 0.240 20 0 BCADHN COCCOC[C@H](C)NCc1ccncc1N ZINC000641730474 362655716 /nfs/dbraw/zinc/65/57/16/362655716.db2.gz YUOWBVKTTLETLB-JTQLQIEISA-N 0 3 239.319 0.805 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC000673521136 488292893 /nfs/dbraw/zinc/29/28/93/488292893.db2.gz KVGXHOTYTOIPNO-LLVKDONJSA-N 0 3 240.278 0.478 20 0 BCADHN Cc1cc(C(=O)N[C@H](CO)CN(C)C)c(C)o1 ZINC000673521524 488292916 /nfs/dbraw/zinc/29/29/16/488292916.db2.gz CLSKAERDHMTZDN-JTQLQIEISA-N 0 3 240.303 0.549 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)CC1CCCC1 ZINC000673521695 488292928 /nfs/dbraw/zinc/29/29/28/488292928.db2.gz MYMKTXSUHHEBQJ-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN Cc1cccc(C(=O)N[C@@H](CO)CN(C)C)n1 ZINC000673521729 488292939 /nfs/dbraw/zinc/29/29/39/488292939.db2.gz RBVLMNYWVNVBEJ-SNVBAGLBSA-N 0 3 237.303 0.042 20 0 BCADHN CC(C)C[C@@H](NC(=O)[C@@H](C)N)C(=O)OC(C)C ZINC000137776794 345692840 /nfs/dbraw/zinc/69/28/40/345692840.db2.gz IQEMGDZAWCEDHF-NXEZZACHSA-N 0 3 244.335 0.816 20 0 BCADHN COCC[C@H](C)N(C)[C@@H]1CCNC1=O ZINC000340220606 537908814 /nfs/dbraw/zinc/90/88/14/537908814.db2.gz NGBWRTHUWVLVGC-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CCC[C@@H](NC(=O)[C@@H](N)CC(C)C)C(=O)OC ZINC000215982027 345742340 /nfs/dbraw/zinc/74/23/40/345742340.db2.gz ALWLQVFAWKQAEV-VHSXEESVSA-N 0 3 244.335 0.818 20 0 BCADHN C[C@@H](O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000221277945 345746439 /nfs/dbraw/zinc/74/64/39/345746439.db2.gz DNGDRYYSQZUOHU-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H](C(=O)N(C)[C@@H]1CCN(C2CC2)C1)N(C)C ZINC000635559462 345753035 /nfs/dbraw/zinc/75/30/35/345753035.db2.gz BKVJTNAQVXCZRS-ZYHUDNBSSA-N 0 3 239.363 0.632 20 0 BCADHN CN(C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000196996876 345725175 /nfs/dbraw/zinc/72/51/75/345725175.db2.gz BNBNPANWKNWQKU-UHFFFAOYSA-N 0 3 242.344 0.999 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C1CCCC1 ZINC000673523140 488293254 /nfs/dbraw/zinc/29/32/54/488293254.db2.gz PJZCTZVCLIIKCU-SNVBAGLBSA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)(C)CC(=O)N[C@@H](CO)CN1CCCC1 ZINC000673531636 488294089 /nfs/dbraw/zinc/29/40/89/488294089.db2.gz ORORVEGDHPMZDB-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN COCC(=O)Nc1cnn(CCN(C)C)c1 ZINC000061635535 345782427 /nfs/dbraw/zinc/78/24/27/345782427.db2.gz XOBIYYMJFOFEHC-UHFFFAOYSA-N 0 3 226.280 0.030 20 0 BCADHN CCC(CC)C(=O)N[C@H](CO)CN(C)C ZINC000673522862 488293676 /nfs/dbraw/zinc/29/36/76/488293676.db2.gz STKJMKTZNKFTTF-JTQLQIEISA-N 0 3 216.325 0.461 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)CCn1cccn1 ZINC000139178657 345792527 /nfs/dbraw/zinc/79/25/27/345792527.db2.gz WSGWBAXUIAJXBY-LLVKDONJSA-N 0 3 236.319 0.484 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)[C@@H](C)N(C)C ZINC000635573437 345827984 /nfs/dbraw/zinc/82/79/84/345827984.db2.gz UWWMTHOXFXQFLU-NEPJUHHUSA-N 0 3 241.379 0.927 20 0 BCADHN C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H](O)C2)CCN1C ZINC000635604259 345888736 /nfs/dbraw/zinc/88/87/36/345888736.db2.gz SLHPDZXZXZNLRU-KKOKHZNYSA-N 0 3 240.347 0.698 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C2)CCN1C ZINC000635607984 345890470 /nfs/dbraw/zinc/89/04/70/345890470.db2.gz SJJVEVLBUHHWDE-XWLWVQCSSA-N 0 3 226.320 0.356 20 0 BCADHN C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C2)CCN1C ZINC000635607983 345890906 /nfs/dbraw/zinc/89/09/06/345890906.db2.gz SJJVEVLBUHHWDE-UKKRHICBSA-N 0 3 226.320 0.356 20 0 BCADHN CCNC(=O)CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000250295621 537917220 /nfs/dbraw/zinc/91/72/20/537917220.db2.gz OSFBSDFCBZRCIH-YUSALJHKSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@H](O)CCNC(=O)CN(C)CC(C)(C)C ZINC000635581021 345878233 /nfs/dbraw/zinc/87/82/33/345878233.db2.gz OQKPCKQDMCDCLZ-JTQLQIEISA-N 0 3 230.352 0.851 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](O)C1 ZINC000620871965 345897124 /nfs/dbraw/zinc/89/71/24/345897124.db2.gz LKALSNSUEDNUTA-GMTAPVOTSA-N 0 3 226.320 0.500 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1C(=O)[C@@H](C)N(C)C ZINC000635592549 345884748 /nfs/dbraw/zinc/88/47/48/345884748.db2.gz VDBCWYAESJDGDW-VXGBXAGGSA-N 0 3 241.379 0.735 20 0 BCADHN CN(CC(=O)N1CC[C@](C)(O)C1)CC(C)(C)C ZINC000635650480 345927613 /nfs/dbraw/zinc/92/76/13/345927613.db2.gz ZNZRXYRITNXVTC-ZDUSSCGKSA-N 0 3 242.363 0.948 20 0 BCADHN Cc1cncc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000577076285 365806228 /nfs/dbraw/zinc/80/62/28/365806228.db2.gz POZQHKVXANACKE-RYUDHWBXSA-N 0 3 249.314 0.137 20 0 BCADHN CN(CCOCCO)CCc1ccccc1O ZINC000145114106 345930027 /nfs/dbraw/zinc/93/00/27/345930027.db2.gz QNTWYXALZWSGHW-UHFFFAOYSA-N 0 3 239.315 0.875 20 0 BCADHN O=C(NCc1c[nH]nn1)[C@@H]1CCN1C1CCCC1 ZINC000635642806 345917877 /nfs/dbraw/zinc/91/78/77/345917877.db2.gz XQYWYTUCRRJQNL-NSHDSACASA-N 0 3 249.318 0.438 20 0 BCADHN CNCC(=O)N(C)[C@H](C)CCSC ZINC000158420148 345919899 /nfs/dbraw/zinc/91/98/99/345919899.db2.gz SFMGSMUAXJJTHT-MRVPVSSYSA-N 0 3 204.339 0.806 20 0 BCADHN CCO[C@@H]1C[C@@H]1N[C@H](CC)Cn1cncn1 ZINC000381447832 345921495 /nfs/dbraw/zinc/92/14/95/345921495.db2.gz GJVFMCQPWKQKFX-OUAUKWLOSA-N 0 3 224.308 0.824 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C2)CN1C1CC1 ZINC000635663286 345955543 /nfs/dbraw/zinc/95/55/43/345955543.db2.gz DIMQQWNTGPYJEV-SVDPJWKOSA-N 0 3 238.331 0.499 20 0 BCADHN CC(C)[C@]1(C)C[C@H]1NC(=O)C(=O)N[C@@H](C)CN ZINC000418969109 192092990 /nfs/dbraw/zinc/09/29/90/192092990.db2.gz DTXIPNNFHGCSFT-SBMIAAHKSA-N 0 3 241.335 0.001 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000635668748 345969694 /nfs/dbraw/zinc/96/96/94/345969694.db2.gz SLTLSNGIRNGZQU-PSASIEDQSA-N 0 3 236.319 0.788 20 0 BCADHN Cc1nc[nH]c1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000635675988 345972523 /nfs/dbraw/zinc/97/25/23/345972523.db2.gz JVXOXHQHFDUTJN-KCJUWKMLSA-N 0 3 248.330 0.931 20 0 BCADHN C[C@H](C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)N(C)C ZINC000635677449 345974457 /nfs/dbraw/zinc/97/44/57/345974457.db2.gz SKSUMVOXBFYTAB-FOGDFJRCSA-N 0 3 239.363 0.535 20 0 BCADHN C[C@@H](CNC(=O)Cc1ccn(C)n1)N(C)C ZINC000563201878 323101530 /nfs/dbraw/zinc/10/15/30/323101530.db2.gz ZHVMYCRVGMBMMH-VIFPVBQESA-N 0 3 224.308 0.029 20 0 BCADHN C[C@@H]1CCC[C@@H](C)C1NC(=O)C(=O)NCCN ZINC000418979107 192093480 /nfs/dbraw/zinc/09/34/80/192093480.db2.gz XARFERGLRHEWPE-RKDXNWHRSA-N 0 3 241.335 0.002 20 0 BCADHN CO[C@@H](C)[C@@H](C)N[C@@H]1CCN(C2CC2)C1=O ZINC000381471548 346003196 /nfs/dbraw/zinc/00/31/96/346003196.db2.gz OSVQKCQMISGSCZ-WCABBAIRSA-N 0 3 226.320 0.763 20 0 BCADHN C[C@H](C(=O)N1CC[C@H]2CCN(C)C[C@@H]21)N(C)C ZINC000635781287 346055911 /nfs/dbraw/zinc/05/59/11/346055911.db2.gz ZNHZVHLGTLQRJQ-UTUOFQBUSA-N 0 3 239.363 0.489 20 0 BCADHN CCN1CCN(CCC(=O)N(C)C)CC1 ZINC000147541667 346027026 /nfs/dbraw/zinc/02/70/26/346027026.db2.gz UTAUYNVOHYWYAK-UHFFFAOYSA-N 0 3 213.325 0.102 20 0 BCADHN CC(C)(N)C(=O)N1CCC(CCO)CC1 ZINC000400992334 346029779 /nfs/dbraw/zinc/02/97/79/346029779.db2.gz AHLJXXGFQQEUKG-UHFFFAOYSA-N 0 3 214.309 0.345 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1CCC[C@H](F)C1 ZINC000575125383 346037948 /nfs/dbraw/zinc/03/79/48/346037948.db2.gz BWGGBSBYRGNRGI-XHNCKOQMSA-N 0 3 218.272 0.357 20 0 BCADHN CN(CC(=O)N1CC[C@@H](CO)C1)CC(C)(C)C ZINC000635739800 346040701 /nfs/dbraw/zinc/04/07/01/346040701.db2.gz LJHVFGNLPYTILD-LLVKDONJSA-N 0 3 242.363 0.805 20 0 BCADHN CCc1nc([C@H](C)NC(=O)[C@@H](C)N(C)C)n[nH]1 ZINC000635746092 346046859 /nfs/dbraw/zinc/04/68/59/346046859.db2.gz AGHAUWDPIJAYTM-JGVFFNPUSA-N 0 3 239.323 0.494 20 0 BCADHN CCc1nnc([C@H](C)NC(=O)[C@@H](C)[NH+](C)C)[n-]1 ZINC000635746092 346046860 /nfs/dbraw/zinc/04/68/60/346046860.db2.gz AGHAUWDPIJAYTM-JGVFFNPUSA-N 0 3 239.323 0.494 20 0 BCADHN CC(C)=C(C)CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000635800658 346067854 /nfs/dbraw/zinc/06/78/54/346067854.db2.gz DJVPHQCSDHWXAJ-ZDUSSCGKSA-N 0 3 240.347 0.916 20 0 BCADHN CN(CCCO)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000635896179 346104829 /nfs/dbraw/zinc/10/48/29/346104829.db2.gz GYLBIRBQSXJOOI-LBPRGKRZSA-N 0 3 240.347 0.844 20 0 BCADHN CN1C(=O)CC[C@H](NCc2ccc(O)cc2)C1=O ZINC000090026901 537942081 /nfs/dbraw/zinc/94/20/81/537942081.db2.gz PEGOJWUSUUNEIH-NSHDSACASA-N 0 3 248.282 0.629 20 0 BCADHN C[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2)CCC1=O ZINC000635829007 346084815 /nfs/dbraw/zinc/08/48/15/346084815.db2.gz PZJXBTKHRQOXLQ-GHMZBOCLSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@H]1CN(C(=O)C[C@@H]2CCN(C)C2)CCC1=O ZINC000635829010 346084820 /nfs/dbraw/zinc/08/48/20/346084820.db2.gz PZJXBTKHRQOXLQ-QWRGUYRKSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@H]1C[C@H](O)CN1C(=O)CN(C)CC(C)(C)C ZINC000635855313 346091857 /nfs/dbraw/zinc/09/18/57/346091857.db2.gz QFQPFAOZMITZLJ-QWRGUYRKSA-N 0 3 242.363 0.946 20 0 BCADHN CCC(CC)CNC(=O)CCOC1CNC1 ZINC000349056829 535023166 /nfs/dbraw/zinc/02/31/66/535023166.db2.gz LZWGENLXNQLQTO-UHFFFAOYSA-N 0 3 228.336 0.917 20 0 BCADHN CC[C@H]1CN(C)CCCN1C(=O)[C@@H](C)N(C)C ZINC000635885125 346102282 /nfs/dbraw/zinc/10/22/82/346102282.db2.gz URHJKNGZAUWTNR-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN CS[C@H](CO)[C@@H](C)NCc1ccc(=O)[nH]c1 ZINC000601107805 346062204 /nfs/dbraw/zinc/06/22/04/346062204.db2.gz GLCKXDVNEYPMOQ-PSASIEDQSA-N 0 3 242.344 0.989 20 0 BCADHN CN1CC[C@H]2CCN(C(=O)[C@H]3C[C@@H](O)C3)[C@H]2C1 ZINC000635779832 346063890 /nfs/dbraw/zinc/06/38/90/346063890.db2.gz NRDGBCULQVXSJU-YFKTTZPYSA-N 0 3 238.331 0.310 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C1CCC=CCC1 ZINC000635929525 346111461 /nfs/dbraw/zinc/11/14/61/346111461.db2.gz VVURVLKBIWVEJP-GFCCVEGCSA-N 0 3 240.347 0.772 20 0 BCADHN CC[C@H]1CN(C)CCN1C(=O)[C@@H](C)N(C)C ZINC000635973004 346128649 /nfs/dbraw/zinc/12/86/49/346128649.db2.gz WEHDTCVZKKMYTQ-MNOVXSKESA-N 0 3 227.352 0.489 20 0 BCADHN CN(CC(=O)N1CC(C)(CO)C1)CC(C)(C)C ZINC000635993621 346143604 /nfs/dbraw/zinc/14/36/04/346143604.db2.gz UYDONMUOLSONCA-UHFFFAOYSA-N 0 3 242.363 0.805 20 0 BCADHN O=C([C@H]1CCN1C1CCCC1)N1CCOC1 ZINC000635982597 346136430 /nfs/dbraw/zinc/13/64/30/346136430.db2.gz GBYHJCURPXDZHB-LLVKDONJSA-N 0 3 224.304 0.820 20 0 BCADHN CCCNC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000250560467 537946564 /nfs/dbraw/zinc/94/65/64/537946564.db2.gz WMMUQWKKNOCESH-YUSALJHKSA-N 0 3 240.347 0.916 20 0 BCADHN CCN(C(=O)[C@@H](C)N(C)C)C1CCN(C)CC1 ZINC000635985004 346138635 /nfs/dbraw/zinc/13/86/35/346138635.db2.gz FIFUEZQCLILRHB-LLVKDONJSA-N 0 3 241.379 0.879 20 0 BCADHN CN(C)C1(CNc2cncc(C(N)=O)n2)CC1 ZINC000419008748 192097591 /nfs/dbraw/zinc/09/75/91/192097591.db2.gz LTONXUFJIMHTQV-UHFFFAOYSA-N 0 3 235.291 0.082 20 0 BCADHN 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ZINC000628243867 346207775 /nfs/dbraw/zinc/20/77/75/346207775.db2.gz KFDVRXADFFYAJR-UHFFFAOYSA-N 0 3 240.303 0.956 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000636046748 346232239 /nfs/dbraw/zinc/23/22/39/346232239.db2.gz DZYRBVFJBBEJSP-WOPDTQHZSA-N 0 3 240.347 0.605 20 0 BCADHN CCCNS(=O)(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000632369709 346239643 /nfs/dbraw/zinc/23/96/43/346239643.db2.gz QZBLIFDYCMWLGM-ZJUUUORDSA-N 0 3 249.380 0.255 20 0 BCADHN FC(F)[C@H]1CNCCN1Cc1cocn1 ZINC000381519809 346239716 /nfs/dbraw/zinc/23/97/16/346239716.db2.gz VTQWMRQUMNKFLK-MRVPVSSYSA-N 0 3 217.219 0.714 20 0 BCADHN Cc1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1[O-] ZINC000050228567 179011390 /nfs/dbraw/zinc/01/13/90/179011390.db2.gz HUGIRYIEVLYHBK-SECBINFHSA-N 0 3 220.272 0.874 20 0 BCADHN CSCCNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000167446449 346247645 /nfs/dbraw/zinc/24/76/45/346247645.db2.gz HZDWCYVNFRSJPY-DTWKUNHWSA-N 0 3 216.350 0.854 20 0 BCADHN Cc1cccc(C(=O)NCCNC(=O)[C@@H](C)N)c1 ZINC000261913851 179016809 /nfs/dbraw/zinc/01/68/09/179016809.db2.gz WSDASARTNBMEOH-SNVBAGLBSA-N 0 3 249.314 0.188 20 0 BCADHN CC1(C)CN(CCn2ccnc2)C[C@H]1O ZINC000279694374 346257424 /nfs/dbraw/zinc/25/74/24/346257424.db2.gz GJNLIBAZVJGZIW-SNVBAGLBSA-N 0 3 209.293 0.586 20 0 BCADHN C[C@H](CC[S@](C)=O)NC1CSC1 ZINC000307937422 346261700 /nfs/dbraw/zinc/26/17/00/346261700.db2.gz AIPCWEHDPWFWAM-KRTXAFLBSA-N 0 3 207.364 0.849 20 0 BCADHN C[C@@]1(NCc2ccncc2N)CCOC1 ZINC000641745566 362667054 /nfs/dbraw/zinc/66/70/54/362667054.db2.gz VAHKCQFSKIWXSJ-LLVKDONJSA-N 0 3 207.277 0.932 20 0 BCADHN CS[C@H](CO)[C@@H](C)NCc1ccncc1N ZINC000603421380 349947375 /nfs/dbraw/zinc/94/73/75/349947375.db2.gz VVXVOKMQTCHEGA-LDYMZIIASA-N 0 3 241.360 0.866 20 0 BCADHN CC1(C)CN(Cc2ccnc(N)c2)C[C@@H]1O ZINC000279816700 346268003 /nfs/dbraw/zinc/26/80/03/346268003.db2.gz QFRXRZSGBOOCMN-JTQLQIEISA-N 0 3 221.304 0.867 20 0 BCADHN COC[C@H](CO)NCc1cnccc1N(C)C ZINC000641749274 362670471 /nfs/dbraw/zinc/67/04/71/362670471.db2.gz 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ZINC000641759834 362691450 /nfs/dbraw/zinc/69/14/50/362691450.db2.gz JFGUMYHRNCDUGY-BXKDBHETSA-N 0 3 225.288 0.010 20 0 BCADHN CC[C@@H](C(=O)N1CCN(C)C[C@@H]1CC)N(C)C ZINC000574904115 346311914 /nfs/dbraw/zinc/31/19/14/346311914.db2.gz OYWYJNNHPYREAN-RYUDHWBXSA-N 0 3 241.379 0.879 20 0 BCADHN COCC1CCN(C(=O)CNC2CC2)CC1 ZINC000069632991 349952034 /nfs/dbraw/zinc/95/20/34/349952034.db2.gz NUORNRKRSFKHSN-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CCN(C(=O)[C@@H](O)C(C)C)[C@@H]1CCN(CC)C1 ZINC000617924637 346317761 /nfs/dbraw/zinc/31/77/61/346317761.db2.gz ZCKOVFDZEBXEMS-NEPJUHHUSA-N 0 3 242.363 0.946 20 0 BCADHN CCN(C(=O)[C@H](O)C(C)C)[C@H]1CCN(CC)C1 ZINC000617924638 346317897 /nfs/dbraw/zinc/31/78/97/346317897.db2.gz ZCKOVFDZEBXEMS-NWDGAFQWSA-N 0 3 242.363 0.946 20 0 BCADHN O=c1[nH]c2ccc(CN[C@@H]3COC[C@H]3O)cc2[nH]1 ZINC000641758058 362686351 /nfs/dbraw/zinc/68/63/51/362686351.db2.gz HTRWJBQNRBQJOD-GHMZBOCLSA-N 0 3 249.270 0.118 20 0 BCADHN Nc1cnccc1CN[C@@H](CO)CCF ZINC000641769128 362708485 /nfs/dbraw/zinc/70/84/85/362708485.db2.gz DAZYEJMSDHYNCZ-SECBINFHSA-N 0 3 213.256 0.474 20 0 BCADHN Nc1cnccc1CN[C@H](CO)CCF ZINC000641769129 362708620 /nfs/dbraw/zinc/70/86/20/362708620.db2.gz DAZYEJMSDHYNCZ-VIFPVBQESA-N 0 3 213.256 0.474 20 0 BCADHN C[C@H]1C[C@@H](NCc2ccncc2N)CO1 ZINC000641766539 362699199 /nfs/dbraw/zinc/69/91/99/362699199.db2.gz AIFUHPKHXLAMLJ-WCBMZHEXSA-N 0 3 207.277 0.931 20 0 BCADHN CC[C@H](NC(=O)C(=O)N[C@H](C)CN)C(C)C ZINC000419159140 192101016 /nfs/dbraw/zinc/10/10/16/192101016.db2.gz YVHSYHVKXIDUDV-BDAKNGLRSA-N 0 3 229.324 0.001 20 0 BCADHN Cc1nc[nH]c1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000636238755 346365188 /nfs/dbraw/zinc/36/51/88/346365188.db2.gz HGWNKJZFBSNJSC-SNVBAGLBSA-N 0 3 236.319 0.788 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@@H](C)CS(C)(=O)=O ZINC000161602007 346340867 /nfs/dbraw/zinc/34/08/67/346340867.db2.gz IJIRSWKNXFJHNC-DJLDLDEBSA-N 0 3 223.338 0.433 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NCCOCCN(C)C ZINC000679169702 488314324 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HNCRYEPQIWIACU-UHFFFAOYSA-N 0 3 228.336 0.917 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@](C)(O)CC1 ZINC000300238448 346424084 /nfs/dbraw/zinc/42/40/84/346424084.db2.gz NXZNLFQXNZUSKY-KOLCDFICSA-N 0 3 214.309 0.487 20 0 BCADHN Cc1cccc(CN2CCC(O)(C(N)=O)CC2)c1 ZINC000284372956 179075117 /nfs/dbraw/zinc/07/51/17/179075117.db2.gz UIFXKIKKFNNOEW-UHFFFAOYSA-N 0 3 248.326 0.807 20 0 BCADHN CC(C)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000334217065 346446185 /nfs/dbraw/zinc/44/61/85/346446185.db2.gz RYVDOPDAUFMFNU-SNVBAGLBSA-N 0 3 211.309 0.931 20 0 BCADHN Cc1cccc(CNC(=O)[C@@H](N)C(C)C)n1 ZINC000051576667 179086424 /nfs/dbraw/zinc/08/64/24/179086424.db2.gz UCQSNVZKMSHSGS-NSHDSACASA-N 0 3 221.304 0.990 20 0 BCADHN C[C@]1(F)CNCCN(CCc2cn[nH]c2)C1 ZINC000641798038 362738492 /nfs/dbraw/zinc/73/84/92/362738492.db2.gz GPWLHBLMVRGUDM-NSHDSACASA-N 0 3 226.299 0.586 20 0 BCADHN COC(=O)CCN1CCC[C@@H](CCC(N)=O)C1 ZINC000170734805 346441780 /nfs/dbraw/zinc/44/17/80/346441780.db2.gz ZRRAASABUOFVTQ-JTQLQIEISA-N 0 3 242.319 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ZINC000616922018 347452674 /nfs/dbraw/zinc/45/26/74/347452674.db2.gz MKXQRFANTUYBBQ-UHFFFAOYSA-N 0 3 222.292 0.462 20 0 BCADHN NC1(C(=O)NCCOCC(F)(F)F)CCC1 ZINC000088051193 362840725 /nfs/dbraw/zinc/84/07/25/362840725.db2.gz ADLVZWIMFRTUEG-UHFFFAOYSA-N 0 3 240.225 0.563 20 0 BCADHN CCOCCCNC(=O)C1(N)CCC1 ZINC000088050122 362840753 /nfs/dbraw/zinc/84/07/53/362840753.db2.gz BSWSWZYSKJHHJY-UHFFFAOYSA-N 0 3 200.282 0.411 20 0 BCADHN COC(=O)CCN1CCC[C@@](CO)(OC)C1 ZINC000401637692 347434934 /nfs/dbraw/zinc/43/49/34/347434934.db2.gz DZVVVIZKNYTKTF-LLVKDONJSA-N 0 3 231.292 0.023 20 0 BCADHN C[C@H](N(C)CC(=O)NC(C)(C)C)C(C)(C)O ZINC000382822148 347439900 /nfs/dbraw/zinc/43/99/00/347439900.db2.gz YLGCPPGJJNGNMW-VIFPVBQESA-N 0 3 230.352 0.992 20 0 BCADHN COc1ncccc1CN[C@@H]1CCNC(=O)CC1 ZINC000396736690 362831587 /nfs/dbraw/zinc/83/15/87/362831587.db2.gz KRAWXLWYGNOOFY-NSHDSACASA-N 0 3 249.314 0.849 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@]2(C)CCOC2)CCN1 ZINC000621156539 347444025 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ZINC000419290958 192117726 /nfs/dbraw/zinc/11/77/26/192117726.db2.gz RVFOYVWXYDOZGP-MRVPVSSYSA-N 0 3 202.298 0.607 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NCCOCC1CC1 ZINC000595660591 348299641 /nfs/dbraw/zinc/29/96/41/348299641.db2.gz AQWJFUCFLRLRHN-WDEREUQCSA-N 0 3 243.303 0.333 20 0 BCADHN CC1(C)OCC[C@H]1NCC1(S(C)(=O)=O)CC1 ZINC000331523444 187392765 /nfs/dbraw/zinc/39/27/65/187392765.db2.gz RHUVAENPHOFSQF-SECBINFHSA-N 0 3 247.360 0.721 20 0 BCADHN CC(C)OC(=O)CCN1CCC(O)(CO)CC1 ZINC000595731948 348317284 /nfs/dbraw/zinc/31/72/84/348317284.db2.gz KCNKJVRAGAKNCG-UHFFFAOYSA-N 0 3 245.319 0.147 20 0 BCADHN CC(C)(N)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000040923919 187393348 /nfs/dbraw/zinc/39/33/48/187393348.db2.gz VIFSFLIZBGFPRA-SECBINFHSA-N 0 3 236.319 0.853 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCC[C@@H](CCF)C1 ZINC000595755226 348329522 /nfs/dbraw/zinc/32/95/22/348329522.db2.gz JBBFSXVKSUCFGL-BDAKNGLRSA-N 0 3 245.298 0.641 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@H]([C@H](C)O)C1 ZINC000535560499 323184614 /nfs/dbraw/zinc/18/46/14/323184614.db2.gz VZRIHIMLKXJCOA-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN COC(=O)C1(CN2CCC(=O)N(C)CC2)CC1 ZINC000595774097 348338182 /nfs/dbraw/zinc/33/81/82/348338182.db2.gz SGHSFKZJXYKWEC-UHFFFAOYSA-N 0 3 240.303 0.104 20 0 BCADHN CC(C)(O)CCN1CCSC[C@@H]1CO ZINC000343717960 187394309 /nfs/dbraw/zinc/39/43/09/187394309.db2.gz KPQNGCVCGMSXQR-VIFPVBQESA-N 0 3 219.350 0.557 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N(CC(=O)NC(=O)NC)C1 ZINC000595781181 348344395 /nfs/dbraw/zinc/34/43/95/348344395.db2.gz ABNAOUYGXXEMFY-NXEZZACHSA-N 0 3 241.335 0.953 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000052009295 187395337 /nfs/dbraw/zinc/39/53/37/187395337.db2.gz NSKNDJXNWIWCHF-HTQZYQBOSA-N 0 3 200.282 0.143 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)CCn2cncn2)C1 ZINC000595848748 348355330 /nfs/dbraw/zinc/35/53/30/348355330.db2.gz PLURZKVVMLOQLG-AOOOYVTPSA-N 0 3 238.291 0.162 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)C[C@@H]2CCC(=O)N2)C1 ZINC000595854904 348356503 /nfs/dbraw/zinc/35/65/03/348356503.db2.gz BRYCERMNSPXPTJ-LPEHRKFASA-N 0 3 240.303 0.148 20 0 BCADHN COCCN(C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595853832 348356934 /nfs/dbraw/zinc/35/69/34/348356934.db2.gz ZAMJAJBFTASPEX-DTORHVGOSA-N 0 3 201.266 0.516 20 0 BCADHN COC(=O)[C@H](C1CC1)N1CC[C@H]2COC[C@H]2C1 ZINC000595830356 348364820 /nfs/dbraw/zinc/36/48/20/348364820.db2.gz KSPBTIDOYJIMLQ-TUAOUCFPSA-N 0 3 239.315 0.906 20 0 BCADHN COC(=O)C[C@@H](CNC(=O)[C@@H](C)N)C1CC1 ZINC000595974670 348405245 /nfs/dbraw/zinc/40/52/45/348405245.db2.gz ZKFWVQVEALCXQO-APPZFPTMSA-N 0 3 228.292 0.039 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N[C@@]12C[C@@H]1CCC2 ZINC000595960968 348405320 /nfs/dbraw/zinc/40/53/20/348405320.db2.gz GZFCRBCOKUTBFN-AUTRQRHGSA-N 0 3 240.303 0.326 20 0 BCADHN COC(=O)C[C@H](CNC(=O)[C@@H](C)N)C1CC1 ZINC000595974673 348405681 /nfs/dbraw/zinc/40/56/81/348405681.db2.gz ZKFWVQVEALCXQO-VXNVDRBHSA-N 0 3 228.292 0.039 20 0 BCADHN COC(=O)[C@@H]1CCC[C@@H]1NC(=O)CNC(C)C ZINC000595974802 348407518 /nfs/dbraw/zinc/40/75/18/348407518.db2.gz JAOAQNYYPHGHNV-ZJUUUORDSA-N 0 3 242.319 0.442 20 0 BCADHN COC(=O)c1occc1CNC(=O)[C@H](C)N ZINC000595942199 348410054 /nfs/dbraw/zinc/41/00/54/348410054.db2.gz BOTLMDCWYSAGDR-LURJTMIESA-N 0 3 226.232 0.030 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H](N)CC(C)C)C1 ZINC000595975066 348412844 /nfs/dbraw/zinc/41/28/44/348412844.db2.gz LRTVZRGTABYNHI-AEJSXWLSSA-N 0 3 242.319 0.428 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NC1CC(C)(C)C1 ZINC000595992359 348421620 /nfs/dbraw/zinc/42/16/20/348421620.db2.gz XYNVHFSRLXLCLN-SECBINFHSA-N 0 3 242.319 0.572 20 0 BCADHN CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)[C@H](C)N ZINC000595980997 348415867 /nfs/dbraw/zinc/41/58/67/348415867.db2.gz MMGKJZPPRNWFJW-SBMIAAHKSA-N 0 3 242.319 0.572 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N[C@@]1(C)CC1(C)C ZINC000595984704 348419041 /nfs/dbraw/zinc/41/90/41/348419041.db2.gz ASGUSWFUPZNFNA-UFBFGSQYSA-N 0 3 242.319 0.572 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2)C1 ZINC000595987909 348419746 /nfs/dbraw/zinc/41/97/46/348419746.db2.gz CXGXNIRKCRSRJO-GUBZILKMSA-N 0 3 240.303 0.196 20 0 BCADHN COC(=O)[C@](C)(O)CN(C)CC1=CCSC1 ZINC000595890200 348390086 /nfs/dbraw/zinc/39/00/86/348390086.db2.gz ZSUHWGOFCQSXMM-LLVKDONJSA-N 0 3 245.344 0.515 20 0 BCADHN CCOC(=O)[C@H]1CCCN1C[C@H]1CNCCO1 ZINC000595894215 348390872 /nfs/dbraw/zinc/39/08/72/348390872.db2.gz VPKYLSDTANWZRN-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN COC(=O)c1ccc(CNC(=O)CN)c(F)c1 ZINC000595987305 348419901 /nfs/dbraw/zinc/41/99/01/348419901.db2.gz LKBBWHKGJLNKMF-UHFFFAOYSA-N 0 3 240.234 0.187 20 0 BCADHN COC(=O)[C@H](C)NC(=O)C1(NC2CC2)CCC1 ZINC000595928672 348392327 /nfs/dbraw/zinc/39/23/27/348392327.db2.gz CWAKUYSYPHAELL-QMMMGPOBSA-N 0 3 240.303 0.339 20 0 BCADHN COC(=O)CCNC(=O)C1(NC2CC2)CCC1 ZINC000595929592 348392490 /nfs/dbraw/zinc/39/24/90/348392490.db2.gz LPZNCLCWFKIQQT-UHFFFAOYSA-N 0 3 240.303 0.340 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)C1(N)CC2(CCC2)C1 ZINC000595928312 348392562 /nfs/dbraw/zinc/39/25/62/348392562.db2.gz BTUIFFCCOVILIC-MRVPVSSYSA-N 0 3 240.303 0.326 20 0 BCADHN CN(CC(=O)NC(N)=O)C[C@@H]1CC1(C)C ZINC000595912082 348399073 /nfs/dbraw/zinc/39/90/73/348399073.db2.gz IJZMYEALOVNJMY-ZETCQYMHSA-N 0 3 213.281 0.159 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N1CC2CC1(C)C2 ZINC000595914575 348399403 /nfs/dbraw/zinc/39/94/03/348399403.db2.gz CYCOLGVILPMUSV-OBEAGUGNSA-N 0 3 225.292 0.315 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N1CC2CC1(C)C2 ZINC000595916346 348400354 /nfs/dbraw/zinc/40/03/54/348400354.db2.gz QHWIOVGFQIWGQQ-YDNLMGDJSA-N 0 3 239.319 0.705 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419387028 192133448 /nfs/dbraw/zinc/13/34/48/192133448.db2.gz FKPMMZKHQZLZGZ-JLIMGVALSA-N 0 3 241.335 0.807 20 0 BCADHN CNC(=O)NC(=O)CN1C[C@H](C)[C@H](C)[C@H]1C ZINC000419385402 192133856 /nfs/dbraw/zinc/13/38/56/192133856.db2.gz CEDOGFAEDMYOAC-XHNCKOQMSA-N 0 3 227.308 0.418 20 0 BCADHN C[C@H](CC(=O)OC(C)(C)C)N[C@H]1CCNC1=O ZINC000596094231 348445039 /nfs/dbraw/zinc/44/50/39/348445039.db2.gz KUDPDTDICNREOK-BDAKNGLRSA-N 0 3 242.319 0.585 20 0 BCADHN CO[C@H](CNC(=O)NCCN(C)C)CC(C)C ZINC000419534193 192140695 /nfs/dbraw/zinc/14/06/95/192140695.db2.gz JNSWSFCEBKDVMR-NSHDSACASA-N 0 3 245.367 0.908 20 0 BCADHN COC(=O)c1nccc(N(C)CCN(C)C)n1 ZINC000596152183 348453532 /nfs/dbraw/zinc/45/35/32/348453532.db2.gz MKDGPYDUGFSBMX-UHFFFAOYSA-N 0 3 238.291 0.261 20 0 BCADHN CCc1ccc(CN[C@H](CO)[C@@H](C)O)cn1 ZINC000419799012 192144667 /nfs/dbraw/zinc/14/46/67/192144667.db2.gz ZBJWTOAYQVQOCZ-BXKDBHETSA-N 0 3 224.304 0.475 20 0 BCADHN COc1cc(CN[C@H](CO)[C@@H](C)O)ccc1C ZINC000419796736 192145100 /nfs/dbraw/zinc/14/51/00/192145100.db2.gz PWIVCTSSNCMCHL-ZYHUDNBSSA-N 0 3 239.315 0.835 20 0 BCADHN CCC[C@@H](O)[C@@H](CO)NCc1c(C)n[nH]c1C ZINC000419806558 192145639 /nfs/dbraw/zinc/14/56/39/192145639.db2.gz FNULYDBYWNGJPM-VXGBXAGGSA-N 0 3 241.335 0.638 20 0 BCADHN COc1ccc(CN[C@H](CO)[C@@H](C)O)cc1F ZINC000419802965 192145785 /nfs/dbraw/zinc/14/57/85/192145785.db2.gz DMHKWVHPISIMSQ-LDYMZIIASA-N 0 3 243.278 0.666 20 0 BCADHN CCC[C@H](O)[C@H](CO)NCc1c(C)n[nH]c1C ZINC000419806555 192145930 /nfs/dbraw/zinc/14/59/30/192145930.db2.gz FNULYDBYWNGJPM-RYUDHWBXSA-N 0 3 241.335 0.638 20 0 BCADHN Cc1ccc(CNC(=O)C(=O)N(C)CCN)cc1 ZINC000419816763 192145935 /nfs/dbraw/zinc/14/59/35/192145935.db2.gz QXIVILLPIDQLNG-UHFFFAOYSA-N 0 3 249.314 0.028 20 0 BCADHN Cc1ccc(CN[C@H](CO)[C@@H](C)O)s1 ZINC000419801696 192146198 /nfs/dbraw/zinc/14/61/98/192146198.db2.gz BYEUCAKSHOSBHI-PSASIEDQSA-N 0 3 215.318 0.888 20 0 BCADHN CCC[C@@H](O)[C@@H](CO)NCc1ccn(C)c1 ZINC000419831535 192146858 /nfs/dbraw/zinc/14/68/58/192146858.db2.gz UTCGDALCWKVOAL-VXGBXAGGSA-N 0 3 226.320 0.637 20 0 BCADHN CC[C@H](C(=O)N(C)CCN1CCCC1)[C@H](C)O ZINC000419899976 192148930 /nfs/dbraw/zinc/14/89/30/192148930.db2.gz RSGZRKPSXFLDNF-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](CNC(=O)CCCCO)N(C)C1CC1 ZINC000221161581 490179401 /nfs/dbraw/zinc/17/94/01/490179401.db2.gz HOPPRNAJRHCTNN-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@H](C(=O)N(CCN(C)C)C1CC1)[C@@H](C)O ZINC000419969253 192153120 /nfs/dbraw/zinc/15/31/20/192153120.db2.gz BWLROSYVYYPMRM-PWSUYJOCSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000420012301 192153538 /nfs/dbraw/zinc/15/35/38/192153538.db2.gz IWUYHRYRBNYQQL-AEJSXWLSSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H](C(=O)N(CCN(C)C)C1CC1)[C@H](C)O ZINC000419969251 192153557 /nfs/dbraw/zinc/15/35/57/192153557.db2.gz BWLROSYVYYPMRM-JQWIXIFHSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@H]1[C@@H](C)CCN1C(=O)C(=O)N[C@H](C)CN ZINC000420014908 192153969 /nfs/dbraw/zinc/15/39/69/192153969.db2.gz PICFJRCEDSAHSD-IVZWLZJFSA-N 0 3 241.335 0.097 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000052009876 323192082 /nfs/dbraw/zinc/19/20/82/323192082.db2.gz HZNFRFISFOSYJB-UTLUCORTSA-N 0 3 214.309 0.534 20 0 BCADHN CC[C@H](C)CN(CC)C(=O)C(=O)N[C@H](C)CN ZINC000419987426 192155663 /nfs/dbraw/zinc/15/56/63/192155663.db2.gz DNWMHMFLWPXSQZ-VHSXEESVSA-N 0 3 243.351 0.344 20 0 BCADHN C[C@H](CSCCF)NCC(=O)NC1CC1 ZINC000597129257 348660035 /nfs/dbraw/zinc/66/00/35/348660035.db2.gz DCZARQMKEXQONM-MRVPVSSYSA-N 0 3 234.340 0.946 20 0 BCADHN Cc1cnc(CN[C@@H](C)[C@H](C)CO)n1C ZINC000309016500 179608609 /nfs/dbraw/zinc/60/86/09/179608609.db2.gz UOXCYZIFNRPQHA-SCZZXKLOSA-N 0 3 211.309 0.835 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@H](C)CC[C@H]1C ZINC000420021850 192158348 /nfs/dbraw/zinc/15/83/48/192158348.db2.gz IWUYHRYRBNYQQL-KXUCPTDWSA-N 0 3 241.335 0.097 20 0 BCADHN CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000253267500 348635775 /nfs/dbraw/zinc/63/57/75/348635775.db2.gz YHQYCRYFBOAIDY-KBVBSXBZSA-N 0 3 226.320 0.655 20 0 BCADHN COC(=O)[C@H]1CCN(Cc2cnn3c2CCC3)C1 ZINC000596981122 348642845 /nfs/dbraw/zinc/64/28/45/348642845.db2.gz IGJGCOQXLXLPGM-JTQLQIEISA-N 0 3 249.314 0.824 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H](C)COC(C)C ZINC000597186630 348683631 /nfs/dbraw/zinc/68/36/31/348683631.db2.gz KBHSQHMQODOKAD-OUAUKWLOSA-N 0 3 245.319 0.720 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@@H]1CSC[C@@H]1C ZINC000597188108 348684518 /nfs/dbraw/zinc/68/45/18/348684518.db2.gz UMALTXLUOQZMAQ-AXTSPUMRSA-N 0 3 245.344 0.658 20 0 BCADHN COC(=O)c1ccc(CNC/C=C\CO)[nH]1 ZINC000597188442 348685253 /nfs/dbraw/zinc/68/52/53/348685253.db2.gz XQXNJZFVMKXQOV-IHWYPQMZSA-N 0 3 224.260 0.439 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NCc2cn[nH]c2)C1 ZINC000597219125 348691310 /nfs/dbraw/zinc/69/13/10/348691310.db2.gz YEONRKGWVNYFTF-DTORHVGOSA-N 0 3 209.249 0.451 20 0 BCADHN C[C@H](N[C@@H]1COC[C@@H]1O)[C@H]1CCCCO1 ZINC000393600442 352539541 /nfs/dbraw/zinc/53/95/41/352539541.db2.gz QYTHGJRBINABNO-ZRUFSTJUSA-N 0 3 215.293 0.293 20 0 BCADHN CN1CCN(C[C@H]2CCCC[C@@H]2O)CC1 ZINC000053881743 348749671 /nfs/dbraw/zinc/74/96/71/348749671.db2.gz GUKCDXGJDXMTIF-NEPJUHHUSA-N 0 3 212.337 0.785 20 0 BCADHN COCCC(=O)N(C)C[C@@H]1CCCN1C ZINC000421706192 192374174 /nfs/dbraw/zinc/37/41/74/192374174.db2.gz UFXHFCFPOUJWLY-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)COCC1CC1 ZINC000421704703 192374552 /nfs/dbraw/zinc/37/45/52/192374552.db2.gz PMKUVJSKXKVOPI-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CN[C@@H](C)C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000054075563 348878091 /nfs/dbraw/zinc/87/80/91/348878091.db2.gz UXGHGXUCCRABCY-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN CN[C@@H](C)C(=O)NCCCOC[C@@H]1CCCO1 ZINC000054076193 348878791 /nfs/dbraw/zinc/87/87/91/348878791.db2.gz ICIDOJOSPXDBLR-QWRGUYRKSA-N 0 3 244.335 0.296 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cccc(C(N)=O)c1 ZINC000054076271 348879453 /nfs/dbraw/zinc/87/94/53/348879453.db2.gz IWTJPVIEGHZFDS-QMMMGPOBSA-N 0 3 235.287 0.010 20 0 BCADHN CN[C@@H](C)C(=O)NCCOCCC(C)C ZINC000054076816 348880250 /nfs/dbraw/zinc/88/02/50/348880250.db2.gz IVBBXLIKNMVQLL-JTQLQIEISA-N 0 3 216.325 0.773 20 0 BCADHN Cc1cnn(C)c1CNC[C@@H]1CC[C@H](O)C1 ZINC000285814999 179721536 /nfs/dbraw/zinc/72/15/36/179721536.db2.gz GODUNSUABBKJRB-MNOVXSKESA-N 0 3 223.320 0.979 20 0 BCADHN C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](O)C2CC2)CCN1C ZINC000669128999 490215419 /nfs/dbraw/zinc/21/54/19/490215419.db2.gz RJFBRHCOXQIZJC-USWWRNFRSA-N 0 3 240.347 0.698 20 0 BCADHN CC[S@@](=O)CC(=O)N1CCN[C@H](C(C)C)C1 ZINC000598776594 349040924 /nfs/dbraw/zinc/04/09/24/349040924.db2.gz HKZRGRRDIGMTSP-MGPLVRAMSA-N 0 3 246.376 0.211 20 0 BCADHN CC[S@@](=O)CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000598776596 349040994 /nfs/dbraw/zinc/04/09/94/349040994.db2.gz HKZRGRRDIGMTSP-QLJPJBMISA-N 0 3 246.376 0.211 20 0 BCADHN COC(=O)CCCN1C[C@@H](O)CC[C@H]1C ZINC000399310278 323203424 /nfs/dbraw/zinc/20/34/24/323203424.db2.gz QUQUESOFSIXOPB-ZJUUUORDSA-N 0 3 215.293 0.785 20 0 BCADHN CCOC(=O)CCN1CC[C@@H](C)[C@@H](CO)C1 ZINC000598645886 349009074 /nfs/dbraw/zinc/00/90/74/349009074.db2.gz PCYZHNIHPNUVEN-GHMZBOCLSA-N 0 3 229.320 0.890 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NCC1CC(C)C1 ZINC000598666741 349014295 /nfs/dbraw/zinc/01/42/95/349014295.db2.gz OMNLIWYCDSKCPN-RTBKNWGFSA-N 0 3 242.319 0.429 20 0 BCADHN CC(C)NS(=O)(=O)CCNCC1(C)CC1 ZINC000308879945 349016771 /nfs/dbraw/zinc/01/67/71/349016771.db2.gz TZNMDKJFRUPVHA-UHFFFAOYSA-N 0 3 234.365 0.704 20 0 BCADHN CC[S@](=O)CC(=O)NC(C)(C)CN(C)C ZINC000598741089 349036316 /nfs/dbraw/zinc/03/63/16/349036316.db2.gz YWWJVMPIQXPZKU-HNNXBMFYSA-N 0 3 234.365 0.211 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1cn[nH]n1 ZINC000598984555 349071556 /nfs/dbraw/zinc/07/15/56/349071556.db2.gz OUXGEQFFONTAOQ-NBEYISGCSA-N 0 3 224.264 0.092 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1c[nH]nn1 ZINC000598984555 349071559 /nfs/dbraw/zinc/07/15/59/349071559.db2.gz OUXGEQFFONTAOQ-NBEYISGCSA-N 0 3 224.264 0.092 20 0 BCADHN CCSCC[C@@H](C)Nc1nc(N)nc(N)n1 ZINC000599055399 349084566 /nfs/dbraw/zinc/08/45/66/349084566.db2.gz QBZHXQPEXONVGS-ZCFIWIBFSA-N 0 3 242.352 0.062 20 0 BCADHN COC[C@H](O)CNCc1ccc(O)cc1 ZINC000070589882 490223930 /nfs/dbraw/zinc/22/39/30/490223930.db2.gz SNCXDHUTYIVKBO-LLVKDONJSA-N 0 3 211.261 0.489 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1cn(C)cn1 ZINC000340543653 538025198 /nfs/dbraw/zinc/02/51/98/538025198.db2.gz STCIMOMGUXFJAL-UHFFFAOYSA-N 0 3 236.319 0.588 20 0 BCADHN COC(=O)[C@@H](C)CN(C)CCc1cn(C)nn1 ZINC000599263578 349134281 /nfs/dbraw/zinc/13/42/81/349134281.db2.gz JLEJGRFJAFPTNW-VIFPVBQESA-N 0 3 240.307 0.099 20 0 BCADHN COC(=O)CCCCN1CCC(=O)N(C)CC1 ZINC000599466412 349192190 /nfs/dbraw/zinc/19/21/90/349192190.db2.gz AJKGOGFFCIOHGO-UHFFFAOYSA-N 0 3 242.319 0.494 20 0 BCADHN CCOC(=O)C[C@H](O)CN(CC)[C@@H](C)CO ZINC000599429569 349187567 /nfs/dbraw/zinc/18/75/67/349187567.db2.gz WGHOPNYOGHGEEB-UWVGGRQHSA-N 0 3 233.308 0.003 20 0 BCADHN COC(=O)CCCCN(C)CCNC(C)=O ZINC000599455749 349189497 /nfs/dbraw/zinc/18/94/97/349189497.db2.gz WBEAARDXGDCMAQ-UHFFFAOYSA-N 0 3 230.308 0.398 20 0 BCADHN COC(=O)C1(O)CCN(C[C@H]2C[C@@H]2C)CC1 ZINC000599347916 349155032 /nfs/dbraw/zinc/15/50/32/349155032.db2.gz 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20 0 BCADHN CSCCN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599623415 349230644 /nfs/dbraw/zinc/23/06/44/349230644.db2.gz NKZITWGURBXETI-PHIMTYICSA-N 0 3 233.377 0.662 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CC[C@@H](CO)C[C@H]1C ZINC000599675517 349242361 /nfs/dbraw/zinc/24/23/61/349242361.db2.gz QGJOZZOGMVQPNV-FOGDFJRCSA-N 0 3 245.319 0.003 20 0 BCADHN C[C@H]1CN(c2ccnc(N(C)C)n2)CCN1 ZINC000082924206 349243802 /nfs/dbraw/zinc/24/38/02/349243802.db2.gz SKTZDOMUUXPHJW-VIFPVBQESA-N 0 3 221.308 0.341 20 0 BCADHN C[C@@H]1CN(c2ccnc(N(C)C)n2)CCN1 ZINC000082924205 349243846 /nfs/dbraw/zinc/24/38/46/349243846.db2.gz SKTZDOMUUXPHJW-SECBINFHSA-N 0 3 221.308 0.341 20 0 BCADHN COC(=O)[C@@H]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000599689717 349245672 /nfs/dbraw/zinc/24/56/72/349245672.db2.gz UAWSLNHGWWTLMG-ILWJIGKKSA-N 0 3 215.293 0.641 20 0 BCADHN CN(C(=O)c1ccn(C)n1)[C@@H]1CCN(C2CC2)C1 ZINC000599867789 349265490 /nfs/dbraw/zinc/26/54/90/349265490.db2.gz LSWVPEIXQZZPLD-LLVKDONJSA-N 0 3 248.330 0.729 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H](N)C2CCC2)CO1 ZINC000402054063 349278235 /nfs/dbraw/zinc/27/82/35/349278235.db2.gz QOJKLRILSKJDCE-JEZHCXPESA-N 0 3 212.293 0.407 20 0 BCADHN CC[C@H](NCc1ccnc(OC)n1)[C@@H](C)O ZINC000395226089 323221886 /nfs/dbraw/zinc/22/18/86/323221886.db2.gz OCMSRQZUDZZXRA-SCZZXKLOSA-N 0 3 225.292 0.734 20 0 BCADHN CC[C@@H](NCc1ccnc(OC)n1)[C@@H](C)O ZINC000395226086 323221944 /nfs/dbraw/zinc/22/19/44/323221944.db2.gz OCMSRQZUDZZXRA-PSASIEDQSA-N 0 3 225.292 0.734 20 0 BCADHN CC(C)[C@H]1CN(C(=O)C(=O)c2ccc[nH]2)CCN1 ZINC000623058215 349347016 /nfs/dbraw/zinc/34/70/16/349347016.db2.gz VIMGICJNUNGIRV-LLVKDONJSA-N 0 3 249.314 0.654 20 0 BCADHN CC(C)C[C@@H](CN)NC(=O)C(=O)c1ccc[nH]1 ZINC000623058280 349347488 /nfs/dbraw/zinc/34/74/88/349347488.db2.gz XOGYCKTVWCRFGN-VIFPVBQESA-N 0 3 237.303 0.687 20 0 BCADHN CC(C)[C@H](CO)CNCc1ccn(C)n1 ZINC000309018277 349305015 /nfs/dbraw/zinc/30/50/15/349305015.db2.gz VNYUEMSRFWGGCM-JTQLQIEISA-N 0 3 211.309 0.774 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000388649396 349308598 /nfs/dbraw/zinc/30/85/98/349308598.db2.gz DNODOHRIENJWEJ-GMTAPVOTSA-N 0 3 228.336 0.901 20 0 BCADHN COc1cc(CN2CC[C@H](CO)C2)ccn1 ZINC000082946127 349356810 /nfs/dbraw/zinc/35/68/10/349356810.db2.gz IGXFHGCIWMUDFM-NSHDSACASA-N 0 3 222.288 0.904 20 0 BCADHN CCN(C#N)CCN1C[C@@H]2COC[C@@H]2C1 ZINC000601975044 349398287 /nfs/dbraw/zinc/39/82/87/349398287.db2.gz XHRANUDJXUXRTJ-PHIMTYICSA-N 0 3 209.293 0.368 20 0 BCADHN CC[C@@H](C(=O)OC)N1C[C@@H]2COC[C@@H]2C1 ZINC000601973737 349409516 /nfs/dbraw/zinc/40/95/16/349409516.db2.gz NIUWOUKQGBSHAP-AEJSXWLSSA-N 0 3 213.277 0.516 20 0 BCADHN C[C@@H]1CN(c2ncnc3c2CCC3)CCN1 ZINC000061276430 349373826 /nfs/dbraw/zinc/37/38/26/349373826.db2.gz CADNXGHTXAHALY-SECBINFHSA-N 0 3 218.304 0.763 20 0 BCADHN Cc1nc(C)c(NC(=O)[C@@H]2C[C@H](O)CN2)s1 ZINC000269223003 179917751 /nfs/dbraw/zinc/91/77/51/179917751.db2.gz CCHCMPCRILCWTG-YUMQZZPRSA-N 0 3 241.316 0.421 20 0 BCADHN CCc1nc(C(=O)N2C[C@H](C)NC[C@H]2C)no1 ZINC000623058858 349381939 /nfs/dbraw/zinc/38/19/39/349381939.db2.gz MDWUTALDRXJIBQ-JGVFFNPUSA-N 0 3 238.291 0.454 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)Nc1nccs1 ZINC000623061660 349424503 /nfs/dbraw/zinc/42/45/03/349424503.db2.gz CWKDRTQGDXKGMU-BQBZGAKWSA-N 0 3 244.295 0.965 20 0 BCADHN COC(=O)[C@H](C1CC1)N1C[C@@H]2COC[C@@H]2C1 ZINC000601974617 349410155 /nfs/dbraw/zinc/41/01/55/349410155.db2.gz UEGZOLGMEDLIBC-AXFHLTTASA-N 0 3 225.288 0.516 20 0 BCADHN C[C@@H](CO)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000091227468 191002722 /nfs/dbraw/zinc/00/27/22/191002722.db2.gz OAKYIACTSKDGEN-IVZWLZJFSA-N 0 3 241.335 0.292 20 0 BCADHN COC(=O)c1ccc(CNC[C@H](C)OC)n1C ZINC000602018207 349418108 /nfs/dbraw/zinc/41/81/08/349418108.db2.gz XDCSXDSYZQIADI-VIFPVBQESA-N 0 3 240.303 0.936 20 0 BCADHN COC(=O)c1ccc(CNC/C=C\CO)n1C ZINC000602027723 349420806 /nfs/dbraw/zinc/42/08/06/349420806.db2.gz JIVOVWFNJSRXRN-ARJAWSKDSA-N 0 3 238.287 0.450 20 0 BCADHN C[C@@H]1CCN(CCNCc2cn[nH]c2)C1 ZINC000309118726 350035960 /nfs/dbraw/zinc/03/59/60/350035960.db2.gz MQMVHOHWMBHOGO-SNVBAGLBSA-N 0 3 208.309 0.841 20 0 BCADHN COC(=O)[C@@H]1CN(Cc2[nH]ncc2C)C[C@H]1C ZINC000291580463 350081988 /nfs/dbraw/zinc/08/19/88/350081988.db2.gz OVGBIYQGJMASOO-NXEZZACHSA-N 0 3 237.303 0.959 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)Cc1cn[nH]c1)N(C)C ZINC000603913417 350055090 /nfs/dbraw/zinc/05/50/90/350055090.db2.gz LXDJKAXIKDPQFA-NSHDSACASA-N 0 3 238.335 0.954 20 0 BCADHN CC(C(=O)N1[C@H](C)COC[C@H]1C)S(C)(=O)=O ZINC000130868152 191010129 /nfs/dbraw/zinc/01/01/29/191010129.db2.gz JPXODXHGRBTKOC-IWSPIJDZSA-N 0 3 249.332 0.055 20 0 BCADHN O=C(NCc1cc[nH]n1)N[C@H]1CCN(C2CC2)C1 ZINC000604176132 350084285 /nfs/dbraw/zinc/08/42/85/350084285.db2.gz YDJFTZOGLBOWIR-JTQLQIEISA-N 0 3 249.318 0.446 20 0 BCADHN CCC[C@H](O)CNC(=O)N[C@H]1CCCN(C)C1 ZINC000604178855 350085186 /nfs/dbraw/zinc/08/51/86/350085186.db2.gz HULYURFRMSMEED-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@@H](N[C@H]1CCCOC1)C1(S(C)(=O)=O)CC1 ZINC000336749602 538049958 /nfs/dbraw/zinc/04/99/58/538049958.db2.gz UGIMBGURHMBFPY-ZJUUUORDSA-N 0 3 247.360 0.721 20 0 BCADHN C[C@H](CCO)N[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132190167 191026239 /nfs/dbraw/zinc/02/62/39/191026239.db2.gz SZLKEQKIRFLYLC-VWYCJHECSA-N 0 3 249.376 0.703 20 0 BCADHN CCN(CCCOC)CC(=O)N(C)C ZINC000051792327 350116051 /nfs/dbraw/zinc/11/60/51/350116051.db2.gz NLDRURSLLMBPBP-UHFFFAOYSA-N 0 3 202.298 0.433 20 0 BCADHN COCCN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000604389818 350119288 /nfs/dbraw/zinc/11/92/88/350119288.db2.gz VOWFLQIDHVTESV-CYBMUJFWSA-N 0 3 241.379 0.345 20 0 BCADHN CC(C)N(C)CC(=O)N1CC(O)(C(F)F)C1 ZINC000425014726 191020952 /nfs/dbraw/zinc/02/09/52/191020952.db2.gz CUWTYYPNTNNTSE-UHFFFAOYSA-N 0 3 236.262 0.165 20 0 BCADHN C[C@@H](CO)N[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132224357 191027077 /nfs/dbraw/zinc/02/70/77/191027077.db2.gz OCLNGYNQVLVZST-AEJSXWLSSA-N 0 3 235.349 0.313 20 0 BCADHN O=S1(=O)CCCC[C@@H]1CNC1CSC1 ZINC000306249191 490339790 /nfs/dbraw/zinc/33/97/90/490339790.db2.gz ZPJLLQQKLAQRAU-SECBINFHSA-N 0 3 235.374 0.659 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NCCC(C)(C)C ZINC000668505716 490340379 /nfs/dbraw/zinc/34/03/79/490340379.db2.gz CPAJYNGDDPSCDO-VHSXEESVSA-N 0 3 249.376 0.824 20 0 BCADHN COCCC1(CN[C@@H](C)CS(C)(=O)=O)CC1 ZINC000132325962 191032007 /nfs/dbraw/zinc/03/20/07/191032007.db2.gz LUJDNIVDDWAIGY-JTQLQIEISA-N 0 3 249.376 0.826 20 0 BCADHN Cc1nc2ccccn2c1CNCCO ZINC000037250474 180107985 /nfs/dbraw/zinc/10/79/85/180107985.db2.gz ABPUIKIHRYABQI-UHFFFAOYSA-N 0 3 205.261 0.725 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC2(C1)CCOCC2 ZINC000304418239 350155534 /nfs/dbraw/zinc/15/55/34/350155534.db2.gz QPKKXRFXKKIMBE-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H](CCO)CNCc1cc(C(N)=O)cs1 ZINC000086573787 490348661 /nfs/dbraw/zinc/34/86/61/490348661.db2.gz OHLHQBIUEJXYBM-MRVPVSSYSA-N 0 3 242.344 0.955 20 0 BCADHN CCSCCN[C@@](C)(CC)C(N)=O ZINC000133344136 191040084 /nfs/dbraw/zinc/04/00/84/191040084.db2.gz APNSMYREHDWUOQ-VIFPVBQESA-N 0 3 204.339 0.983 20 0 BCADHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cn[nH]c1)CC2 ZINC000280972050 180114339 /nfs/dbraw/zinc/11/43/39/180114339.db2.gz KNVQRJLXUWPVEI-LDYMZIIASA-N 0 3 246.318 0.975 20 0 BCADHN CSCCN1CCC(O)(CO)CC1 ZINC000313648555 350163590 /nfs/dbraw/zinc/16/35/90/350163590.db2.gz ZFSABIOHMJBYQT-UHFFFAOYSA-N 0 3 205.323 0.169 20 0 BCADHN CC[C@@](C)(NC[C@H]1CCCCO1)C(N)=O ZINC000133706483 191042447 /nfs/dbraw/zinc/04/24/47/191042447.db2.gz ABEFDYXHUSCZFD-MWLCHTKSSA-N 0 3 214.309 0.799 20 0 BCADHN Cc1nc2n(n1)C[C@H](N[C@H]1CCCNC1=O)CC2 ZINC000330055035 180114699 /nfs/dbraw/zinc/11/46/99/180114699.db2.gz SYWXIQJINPFTBM-ZJUUUORDSA-N 0 3 249.318 0.610 20 0 BCADHN Cn1cncc1CCCN1CCN(C)CC1 ZINC000313881343 350166013 /nfs/dbraw/zinc/16/60/13/350166013.db2.gz AOOUZEGVHUTOGR-UHFFFAOYSA-N 0 3 222.336 0.600 20 0 BCADHN COC[C@@H](O)CNCc1ccc(C)c(C)n1 ZINC000314114552 350167448 /nfs/dbraw/zinc/16/74/48/350167448.db2.gz CTBQIAUMORWOBW-LBPRGKRZSA-N 0 3 224.304 0.795 20 0 BCADHN CN1CCC[C@@H](CNC(=O)Nc2cccnn2)C1 ZINC000151884357 538063146 /nfs/dbraw/zinc/06/31/46/538063146.db2.gz JIZBUUHSQIAJGL-JTQLQIEISA-N 0 3 249.318 0.940 20 0 BCADHN CN(C)C1(CNC(=O)NC2(C)COC2)CCC1 ZINC000637071873 350173524 /nfs/dbraw/zinc/17/35/24/350173524.db2.gz ZXZPXOBIFIELCH-UHFFFAOYSA-N 0 3 241.335 0.559 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NCC(F)(F)CN ZINC000427152003 191055045 /nfs/dbraw/zinc/05/50/45/191055045.db2.gz GWLQCLQYJAINGA-SECBINFHSA-N 0 3 249.305 0.571 20 0 BCADHN CC[C@]1(O)CCN(C(=O)C2CCN(C)CC2)C1 ZINC000428736999 191058215 /nfs/dbraw/zinc/05/82/15/191058215.db2.gz JETHOCTUOLIGMU-ZDUSSCGKSA-N 0 3 240.347 0.702 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)CN(C)C ZINC000111635742 350181665 /nfs/dbraw/zinc/18/16/65/350181665.db2.gz AGYVBOPVYZSWQO-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN CC(=O)CCN1CCC[C@H](c2nnc[nH]2)C1 ZINC000374533353 191064832 /nfs/dbraw/zinc/06/48/32/191064832.db2.gz GJVGZEWXAJOMHR-JTQLQIEISA-N 0 3 222.292 0.963 20 0 BCADHN Cc1ncc(NC(=O)C[C@@H]2CNCCO2)cn1 ZINC000269225568 180165820 /nfs/dbraw/zinc/16/58/20/180165820.db2.gz NNWUCABEJZTGAU-SNVBAGLBSA-N 0 3 236.275 0.102 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-]CCCC[NH3+])s1 ZINC000235835158 180172834 /nfs/dbraw/zinc/17/28/34/180172834.db2.gz JRHZXFMXUGFHKR-UHFFFAOYSA-N 0 3 249.361 0.469 20 0 BCADHN CC[C@H](N)c1cn([C@@H](CC)C(N)=O)nn1 ZINC000229951363 490370247 /nfs/dbraw/zinc/37/02/47/490370247.db2.gz UAPRBOGCYRAZBO-XPUUQOCRSA-N 0 3 211.269 0.124 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC2(C1)CCCO2 ZINC000637146070 350219490 /nfs/dbraw/zinc/21/94/90/350219490.db2.gz RXHLBAJKQQTZSW-JTQLQIEISA-N 0 3 241.335 0.511 20 0 BCADHN Cc1ncc2c(n1)CC[C@H](NC1COC1)C2 ZINC000309883786 180178143 /nfs/dbraw/zinc/17/81/43/180178143.db2.gz XAEFAJZEZSHRNZ-JTQLQIEISA-N 0 3 219.288 0.631 20 0 BCADHN Cc1nccc(CNC(=O)[C@@H](N)CC(C)C)n1 ZINC000038038159 180187655 /nfs/dbraw/zinc/18/76/55/180187655.db2.gz RCVLSBFFRWKTFX-NSHDSACASA-N 0 3 236.319 0.775 20 0 BCADHN Cc1nccc(CNC(=O)[C@@H]2CCCCN2)n1 ZINC000038038097 180187781 /nfs/dbraw/zinc/18/77/81/180187781.db2.gz FRJBBNWJFNFCRC-NSHDSACASA-N 0 3 234.303 0.543 20 0 BCADHN Cc1ncccc1C(=O)N1CCCNCC1 ZINC000082240814 180210714 /nfs/dbraw/zinc/21/07/14/180210714.db2.gz LQELQEOZFXDNNZ-UHFFFAOYSA-N 0 3 219.288 0.826 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)CC[C@H](C)O ZINC000155482119 191081250 /nfs/dbraw/zinc/08/12/50/191081250.db2.gz OOEBSKDFSSCKGP-UTLUCORTSA-N 0 3 216.325 0.589 20 0 BCADHN CNC(=O)NC(=O)CN1CCCCCC1 ZINC000007424407 350233636 /nfs/dbraw/zinc/23/36/36/350233636.db2.gz SRJRQPUFRZVXLN-UHFFFAOYSA-N 0 3 213.281 0.318 20 0 BCADHN Cc1nccn1CCCN(C)Cc1cnnn1C ZINC000290447397 180236308 /nfs/dbraw/zinc/23/63/08/180236308.db2.gz MEOLAKBYJFILSE-UHFFFAOYSA-N 0 3 248.334 0.842 20 0 BCADHN Cc1nccn1CCCNC(=O)[C@H](N)C(C)C ZINC000269222594 180245647 /nfs/dbraw/zinc/24/56/47/180245647.db2.gz ANFOXONXDLPJLG-LLVKDONJSA-N 0 3 238.335 0.681 20 0 BCADHN C[C@@H](CNC(=O)N1CC2(C1)CCCO2)N(C)C ZINC000637195801 350256545 /nfs/dbraw/zinc/25/65/45/350256545.db2.gz GWZOFDQTROFCKO-JTQLQIEISA-N 0 3 241.335 0.511 20 0 BCADHN CCC[C@@H](CCO)NC(=O)NC[C@H](C)N(C)C ZINC000637195802 350256590 /nfs/dbraw/zinc/25/65/90/350256590.db2.gz GXTSHUDTUADNNZ-QWRGUYRKSA-N 0 3 245.367 0.787 20 0 BCADHN Cc1nccn1CCN1CCC(CO)CC1 ZINC000050104805 180250069 /nfs/dbraw/zinc/25/00/69/180250069.db2.gz ASHOFPAQJCTDLJ-UHFFFAOYSA-N 0 3 223.320 0.896 20 0 BCADHN Cc1nccn1CCN1CCC[C@]12CCOC2=O ZINC000275104540 180253675 /nfs/dbraw/zinc/25/36/75/180253675.db2.gz LRCBXSPFJZAXSX-CYBMUJFWSA-N 0 3 249.314 0.973 20 0 BCADHN Cc1nccn1CCN1CC[C@](F)(CO)C1 ZINC000338623095 180255936 /nfs/dbraw/zinc/25/59/36/180255936.db2.gz ARQPWUUIBFAIJN-LLVKDONJSA-N 0 3 227.283 0.598 20 0 BCADHN Cc1nccn1CCCNC(=O)[C@@H](N)C(C)C ZINC000269222595 180243910 /nfs/dbraw/zinc/24/39/10/180243910.db2.gz ANFOXONXDLPJLG-NSHDSACASA-N 0 3 238.335 0.681 20 0 BCADHN COCCC(=O)N1CCC[C@@H]1CN(C)C ZINC000427731770 191090766 /nfs/dbraw/zinc/09/07/66/191090766.db2.gz QTKMZPQBEHDCIV-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN Cc1nccn1C[C@H](C)CNCc1cnnn1C ZINC000267546642 180265154 /nfs/dbraw/zinc/26/51/54/180265154.db2.gz ZTGMQUBRXKQOII-SNVBAGLBSA-N 0 3 248.334 0.746 20 0 BCADHN Cc1nccn1C[C@@H](C)CNCc1cnn(C)n1 ZINC000293449935 180266872 /nfs/dbraw/zinc/26/68/72/180266872.db2.gz CLOAUNALYKQCBR-JTQLQIEISA-N 0 3 248.334 0.746 20 0 BCADHN Cc1nccn1C[C@H]1CCCN1C(=O)[C@@H](C)N ZINC000178847743 180269677 /nfs/dbraw/zinc/26/96/77/180269677.db2.gz QZEZVSGYRJFCLL-MWLCHTKSSA-N 0 3 236.319 0.530 20 0 BCADHN CCOC[C@@H](O)CN1CCN(C(C)C)CC1 ZINC000068890505 350299448 /nfs/dbraw/zinc/29/94/48/350299448.db2.gz HLYRRVFHQYKFHJ-LBPRGKRZSA-N 0 3 230.352 0.410 20 0 BCADHN CCC[C@H](N)C(=O)NCc1nc(C)no1 ZINC000038035045 350300238 /nfs/dbraw/zinc/30/02/38/350300238.db2.gz BZSQRXWNAMHQRS-ZETCQYMHSA-N 0 3 212.253 0.122 20 0 BCADHN Cc1ncncc1C(=O)NC[C@@H]1CCCN1C ZINC000299278065 180294969 /nfs/dbraw/zinc/29/49/69/180294969.db2.gz LLSSZFYYHSZEDT-JTQLQIEISA-N 0 3 234.303 0.609 20 0 BCADHN CCOCCN(CC)C[C@@H](O)COCC ZINC000068951339 350316300 /nfs/dbraw/zinc/31/63/00/350316300.db2.gz OFXDVQDOCYMUIH-LLVKDONJSA-N 0 3 219.325 0.742 20 0 BCADHN Cc1nccnc1[C@@H](C)NCCCOCCO ZINC000188442787 180280208 /nfs/dbraw/zinc/28/02/08/180280208.db2.gz LEYUFXGSZHUBQR-SNVBAGLBSA-N 0 3 239.319 0.835 20 0 BCADHN Cc1nccnc1[C@@H](C)NC[C@H](O)CN(C)C ZINC000331317373 180281531 /nfs/dbraw/zinc/28/15/31/180281531.db2.gz GDWDZBFJXHAIMD-MNOVXSKESA-N 0 3 238.335 0.358 20 0 BCADHN Cc1nccnc1[C@H](C)NCC(C)(C)C(N)=O ZINC000188297458 180281871 /nfs/dbraw/zinc/28/18/71/180281871.db2.gz GDGWPJSLBBFNCF-VIFPVBQESA-N 0 3 236.319 0.947 20 0 BCADHN C[C@@H]1[C@@H](CO)CCN1C(=O)[C@@H]1CCCN1C ZINC000427834162 191093652 /nfs/dbraw/zinc/09/36/52/191093652.db2.gz JBZQOUNAOOTDDL-MXWKQRLJSA-N 0 3 226.320 0.310 20 0 BCADHN Cc1nccnc1[C@H](C)NC[C@@H](O)CN(C)C ZINC000331317375 180283978 /nfs/dbraw/zinc/28/39/78/180283978.db2.gz GDWDZBFJXHAIMD-WDEREUQCSA-N 0 3 238.335 0.358 20 0 BCADHN CN(CCN1CCCC1=O)C[C@H](O)C1CC1 ZINC000079767931 490461232 /nfs/dbraw/zinc/46/12/32/490461232.db2.gz ZJALPBWUMGVTIB-NSHDSACASA-N 0 3 226.320 0.312 20 0 BCADHN CSCC[C@H](N)C(=O)Nc1cnn(C)c1 ZINC000040460094 350363525 /nfs/dbraw/zinc/36/35/25/350363525.db2.gz XPNYSNYCBDDZDV-QMMMGPOBSA-N 0 3 228.321 0.439 20 0 BCADHN Cc1ncsc1CCN1C[C@@H](O)[C@@H](O)C1 ZINC000086331898 180308929 /nfs/dbraw/zinc/30/89/29/180308929.db2.gz MDKLFTLFOCFZQC-DTORHVGOSA-N 0 3 228.317 0.031 20 0 BCADHN CN1CCC(C(=O)NC[C@@H](CO)C2CC2)CC1 ZINC000427872781 191098724 /nfs/dbraw/zinc/09/87/24/191098724.db2.gz JVNNJMIVTBMVRJ-LBPRGKRZSA-N 0 3 240.347 0.463 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NCC1(O)CCC1 ZINC000606658775 350406020 /nfs/dbraw/zinc/40/60/20/350406020.db2.gz WWZNBPIQFDTTAC-JTQLQIEISA-N 0 3 241.335 0.295 20 0 BCADHN C[C@H](NC(=O)NC[C@@H]1CCCN1C)C(C)(C)O ZINC000606658470 350406109 /nfs/dbraw/zinc/40/61/09/350406109.db2.gz IJXZZATVZVXQAG-UWVGGRQHSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@@H](NC(=O)NC1CCN(C)CC1)C(C)(C)O ZINC000606621278 350393850 /nfs/dbraw/zinc/39/38/50/350393850.db2.gz KEWGGDOTUVNQPA-SECBINFHSA-N 0 3 243.351 0.539 20 0 BCADHN CCOCCN[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000132112615 191101205 /nfs/dbraw/zinc/10/12/05/191101205.db2.gz MKCRWGIMROAWTI-WDEREUQCSA-N 0 3 249.376 0.968 20 0 BCADHN COC[C@H](CCNC(=O)CN(C)C(C)C)OC ZINC000617233337 350402967 /nfs/dbraw/zinc/40/29/67/350402967.db2.gz SVKCRVGMGIGGJO-NSHDSACASA-N 0 3 246.351 0.494 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@H]1CCOC1 ZINC000075135070 180341878 /nfs/dbraw/zinc/34/18/78/180341878.db2.gz GSVSZNOHEMSCPQ-JTQLQIEISA-N 0 3 209.293 0.915 20 0 BCADHN COC(=O)C(C)(C)CCNC1CN(C(C)=O)C1 ZINC000563974733 323337676 /nfs/dbraw/zinc/33/76/76/323337676.db2.gz BIMUUNQXDLCWHM-UHFFFAOYSA-N 0 3 242.319 0.396 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@@H](C)CC(N)=O ZINC000129337479 180339868 /nfs/dbraw/zinc/33/98/68/180339868.db2.gz AKYDZXLAKNUDHE-ZETCQYMHSA-N 0 3 224.308 0.390 20 0 BCADHN CC(C)CN(C)CCS(=O)(=O)N(C)C ZINC000336695392 350447342 /nfs/dbraw/zinc/44/73/42/350447342.db2.gz SMBZIWOEMPAIKU-UHFFFAOYSA-N 0 3 222.354 0.466 20 0 BCADHN Cc1nn(C)cc1CN[C@H](C)CN(C)C ZINC000127946548 180375766 /nfs/dbraw/zinc/37/57/66/180375766.db2.gz FYTIPFAIUYZTEB-SECBINFHSA-N 0 3 210.325 0.768 20 0 BCADHN Cc1nn(C)cc1CN[C@H]1CCC(=O)N(C)C1 ZINC000126052912 180375793 /nfs/dbraw/zinc/37/57/93/180375793.db2.gz VACYSCHVTJICEW-NSHDSACASA-N 0 3 236.319 0.439 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NCCCOCCO ZINC000180248903 180381340 /nfs/dbraw/zinc/38/13/40/180381340.db2.gz YXSMHMXNZZGRMA-JTQLQIEISA-N 0 3 241.335 0.778 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NC[C@]1(O)CCOC1 ZINC000181726945 180382457 /nfs/dbraw/zinc/38/24/57/180382457.db2.gz CSSXJCQPTACQSU-JOYOIKCWSA-N 0 3 239.319 0.531 20 0 BCADHN Cc1cc(CN(C[C@H](C)O)[C@H](C)CO)ccn1 ZINC000621285274 350504715 /nfs/dbraw/zinc/50/47/15/350504715.db2.gz SUKVCNVWVXLUKE-NEPJUHHUSA-N 0 3 238.331 0.954 20 0 BCADHN Cc1nnc(C(=O)NCCN(C)C2CC2)s1 ZINC000273478514 180397962 /nfs/dbraw/zinc/39/79/62/180397962.db2.gz PZFPOJVLDVPARE-UHFFFAOYSA-N 0 3 240.332 0.671 20 0 BCADHN CCCNC(=O)CN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000128512692 490580501 /nfs/dbraw/zinc/58/05/01/490580501.db2.gz SMJHJJAZPDUKAI-WDEREUQCSA-N 0 3 239.363 0.727 20 0 BCADHN C[C@H](NCc1cccn1C)[C@@H]1CN(C)CCO1 ZINC000129163145 490601391 /nfs/dbraw/zinc/60/13/91/490601391.db2.gz PRVHUTVJXVEVDU-AAEUAGOBSA-N 0 3 237.347 0.834 20 0 BCADHN CC[C@H](COC)N[C@H]1CCCCNC1=O ZINC000070623994 350548620 /nfs/dbraw/zinc/54/86/20/350548620.db2.gz ZTCDPBAWGBLWPU-ZJUUUORDSA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@H](N)C(=O)Nc1nc2cccnc2[nH]1 ZINC000577510263 365975023 /nfs/dbraw/zinc/97/50/23/365975023.db2.gz GYDJNJDWOKATEH-LURJTMIESA-N 0 3 219.248 0.634 20 0 BCADHN Cc1cc(S(=O)(=O)[N-][C@H](C)C[NH3+])sn1 ZINC000631929805 362968006 /nfs/dbraw/zinc/96/80/06/362968006.db2.gz OKTLHMVRFYIREH-ZCFIWIBFSA-N 0 3 235.334 0.077 20 0 BCADHN C[C@@H]1SCC[C@H]1NCc1cnnn1C ZINC000306582035 490642690 /nfs/dbraw/zinc/64/26/90/490642690.db2.gz HWCUDBPHQFIRSC-IONNQARKSA-N 0 3 212.322 0.799 20 0 BCADHN CCCCN(C)CCNC(=O)NCC1COC1 ZINC000623723101 350599669 /nfs/dbraw/zinc/59/96/69/350599669.db2.gz FGBLWJPIPUZXER-UHFFFAOYSA-N 0 3 243.351 0.664 20 0 BCADHN O=C(NCCCO)N[C@@H]1CCN(CC2CC2)C1 ZINC000606704317 350600108 /nfs/dbraw/zinc/60/01/08/350600108.db2.gz VYGGNMIQTZEPGW-LLVKDONJSA-N 0 3 241.335 0.152 20 0 BCADHN OCCOCCN1CCC[C@H](n2ccnc2)C1 ZINC000606897879 350623345 /nfs/dbraw/zinc/62/33/45/350623345.db2.gz KRYFVVYATANIEN-LBPRGKRZSA-N 0 3 239.319 0.529 20 0 BCADHN c1[n-][nH]c2ncnc(=NCC[C@@H]3CCC[NH2+]C3)c1-2 ZINC000420195045 192173242 /nfs/dbraw/zinc/17/32/42/192173242.db2.gz KALHQHNEQIYZKV-VIFPVBQESA-N 0 3 246.318 0.528 20 0 BCADHN Cc1nnccc1C(=O)N1CCC[C@H]1CN(C)C ZINC000269932975 180451432 /nfs/dbraw/zinc/45/14/32/180451432.db2.gz BHFFZVLKVSGMRF-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN O=C1CCCN1CCCN1CCC[C@@H](CO)C1 ZINC000606933746 350629564 /nfs/dbraw/zinc/62/95/64/350629564.db2.gz PDYJLVRZUPHOJB-GFCCVEGCSA-N 0 3 240.347 0.703 20 0 BCADHN CCN1CCN(CCC(=O)NCC2CC2)CC1 ZINC000338035839 350662282 /nfs/dbraw/zinc/66/22/82/350662282.db2.gz QODAXCUPAVFLPF-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN Cc1cncc(CNC[C@@H](O)Cn2cccn2)c1 ZINC000564794189 350663014 /nfs/dbraw/zinc/66/30/14/350663014.db2.gz XAWXNCFHQVRIHS-CYBMUJFWSA-N 0 3 246.314 0.737 20 0 BCADHN CC[C@@H](O)CN1CCSC[C@@H]1CO ZINC000308365414 350670847 /nfs/dbraw/zinc/67/08/47/350670847.db2.gz NWZRZURPSDGTKH-DTWKUNHWSA-N 0 3 205.323 0.167 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)N(C)CCN(C)C)C1 ZINC000637557451 350705722 /nfs/dbraw/zinc/70/57/22/350705722.db2.gz NOLYDQYYQMXPEY-PHIMTYICSA-N 0 3 243.351 0.614 20 0 BCADHN CC[C@@H](O)CN(CCO)[C@H]1CCO[C@H]1C ZINC000577561667 365987014 /nfs/dbraw/zinc/98/70/14/365987014.db2.gz BHVIXKMTQBSMHR-AXFHLTTASA-N 0 3 217.309 0.229 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](CO)C1CCC1 ZINC000617303758 350711185 /nfs/dbraw/zinc/71/11/85/350711185.db2.gz NNFULJHQCWGBCC-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](C(=O)N[C@H](CO)C1CCC1)N(C)C ZINC000617308835 350716650 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C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1CC(=O)C1 ZINC000137076980 351293440 /nfs/dbraw/zinc/29/34/40/351293440.db2.gz CWHMBLNVQBRKGE-MWLCHTKSSA-N 0 3 236.315 0.661 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H](C)C1(CO)CC1)N(C)C ZINC000617901916 351307961 /nfs/dbraw/zinc/30/79/61/351307961.db2.gz SATGZDZRMLVLDP-GHMZBOCLSA-N 0 3 242.363 0.850 20 0 BCADHN CC[C@H](C)NS(=O)(=O)CCCN(C)C ZINC000631633426 351311211 /nfs/dbraw/zinc/31/12/11/351311211.db2.gz BQZFEFYNJQWUTI-VIFPVBQESA-N 0 3 222.354 0.656 20 0 BCADHN CCN1CCN(CCc2cnn(C)c2)CC1 ZINC000265884919 351276753 /nfs/dbraw/zinc/27/67/53/351276753.db2.gz ZQYXCAXCVXNILD-UHFFFAOYSA-N 0 3 222.336 0.600 20 0 BCADHN CC[C@@H](N[C@H]1CC(=O)N(C)C1)c1cnn(C)c1 ZINC000268808649 351340787 /nfs/dbraw/zinc/34/07/87/351340787.db2.gz GKPCZBPAYSWQCU-WDEREUQCSA-N 0 3 236.319 0.692 20 0 BCADHN CCN1CCCN(Cc2ccn(C)n2)CC1 ZINC000269380914 351353072 /nfs/dbraw/zinc/35/30/72/351353072.db2.gz XLDKZQCFDKUHFT-UHFFFAOYSA-N 0 3 222.336 0.948 20 0 BCADHN C[C@@H]1CCCC[C@H]1NCc1nnnn1C ZINC000380130675 351364174 /nfs/dbraw/zinc/36/41/74/351364174.db2.gz SSWBDLKTSQFMRU-RKDXNWHRSA-N 0 3 209.297 0.878 20 0 BCADHN CC[C@H](COC)NC[C@H]1CCCS1(=O)=O ZINC000087970502 351439725 /nfs/dbraw/zinc/43/97/25/351439725.db2.gz QVJITNKLNGZAKX-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN CC[C@@H](COC)NC[C@H]1CCCS1(=O)=O ZINC000087970499 351440148 /nfs/dbraw/zinc/44/01/48/351440148.db2.gz QVJITNKLNGZAKX-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CSCCNC(=O)[C@@H]1NCC1(C)C ZINC000388831659 363044417 /nfs/dbraw/zinc/04/44/17/363044417.db2.gz POQNRZHDQVACSH-ZETCQYMHSA-N 0 3 202.323 0.464 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC(OC)CC1 ZINC000061679037 191135637 /nfs/dbraw/zinc/13/56/37/191135637.db2.gz JGICUOFLUMZLJP-VIFPVBQESA-N 0 3 200.282 0.361 20 0 BCADHN CC(C)C[C@@H](C)CN1CCN(CC(N)=O)CC1 ZINC000337136425 191135842 /nfs/dbraw/zinc/13/58/42/191135842.db2.gz OOCZRHAQGCCDRP-GFCCVEGCSA-N 0 3 241.379 0.772 20 0 BCADHN CC[C@@H](COC)N[C@@H]1CC(=O)N(CC)C1 ZINC000391526212 351530967 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CCO[C@@H](C(=O)N1CCCNCC1)C1CC1 ZINC000637801341 351631609 /nfs/dbraw/zinc/63/16/09/351631609.db2.gz JEGGGIYSJZHFTM-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H](CNC[C@H]1CCCS1)S(C)(=O)=O ZINC000577741497 366048717 /nfs/dbraw/zinc/04/87/17/366048717.db2.gz NRZLDOXYWQVNNM-RKDXNWHRSA-N 0 3 237.390 0.905 20 0 BCADHN C[C@H](NC(=O)C(C)(C)CO)C1=CCN(C)CC1 ZINC000577744604 366050662 /nfs/dbraw/zinc/05/06/62/366050662.db2.gz QXWUVBQWQXLYQV-JTQLQIEISA-N 0 3 240.347 0.772 20 0 BCADHN Cc1cncn1CC(=O)N1CCN[C@H](C)C1 ZINC000637839237 351689510 /nfs/dbraw/zinc/68/95/10/351689510.db2.gz AYVOGAOQMYMPEE-SECBINFHSA-N 0 3 222.292 0.012 20 0 BCADHN CC(C)[C@H]([NH3+])CNC(=O)c1cc(F)c[n-]c1=O ZINC000637849225 351706985 /nfs/dbraw/zinc/70/69/85/351706985.db2.gz NROICHDJSFTQES-SECBINFHSA-N 0 3 241.266 0.639 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000637838631 351693663 /nfs/dbraw/zinc/69/36/63/351693663.db2.gz ACCWZECUGFIBTN-GRYCIOLGSA-N 0 3 241.379 0.959 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H]2CCCCN2C)CCN1 ZINC000637840462 351695641 /nfs/dbraw/zinc/69/56/41/351695641.db2.gz JCBZRXBRAYCVTP-QWRGUYRKSA-N 0 3 225.336 0.291 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCN[C@@H](C)C1 ZINC000637840714 351696578 /nfs/dbraw/zinc/69/65/78/351696578.db2.gz HJPLNQJTPQZLSW-QWRGUYRKSA-N 0 3 227.352 0.570 20 0 BCADHN Cc1cncn1CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000637841111 351696868 /nfs/dbraw/zinc/69/68/68/351696868.db2.gz SMDYAYCUAFGBSO-NXEZZACHSA-N 0 3 236.319 0.400 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000637841628 351698090 /nfs/dbraw/zinc/69/80/90/351698090.db2.gz VHRDELKGCYOMHJ-DTORHVGOSA-N 0 3 236.319 0.469 20 0 BCADHN CC[C@@H](O)CN1CCc2cc[nH]c(=O)c2C1 ZINC000276972478 351667244 /nfs/dbraw/zinc/66/72/44/351667244.db2.gz RMTOFUQWLQLIEI-SNVBAGLBSA-N 0 3 222.288 0.916 20 0 BCADHN CC[C@@H](O)[C@@H]1CCCCN1CC(=O)NC ZINC000112680995 191140236 /nfs/dbraw/zinc/14/02/36/191140236.db2.gz RXKKPNNAUSNLDB-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN CC(C)CC[C@@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000637856925 351717115 /nfs/dbraw/zinc/71/71/15/351717115.db2.gz JGSMNZPQPBBZSL-LLVKDONJSA-N 0 3 241.379 0.960 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N1CCNCC1(C)C ZINC000637856925 351717117 /nfs/dbraw/zinc/71/71/17/351717117.db2.gz JGSMNZPQPBBZSL-LLVKDONJSA-N 0 3 241.379 0.960 20 0 BCADHN CC[C@H](C(=O)N1CCNCC1(C)C)N(C)C ZINC000637857580 351717602 /nfs/dbraw/zinc/71/76/02/351717602.db2.gz RDINWEXEBCKKHZ-SNVBAGLBSA-N 0 3 227.352 0.537 20 0 BCADHN Cc1cncn1CC(=O)N1CCNCC1(C)C ZINC000637857781 351718520 /nfs/dbraw/zinc/71/85/20/351718520.db2.gz TWJZPOLLIGBEOO-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN Cc1nc(C(=O)N2CCC[C@H](N(C)C)C2)no1 ZINC000123338073 191141199 /nfs/dbraw/zinc/14/11/99/191141199.db2.gz UYCJTDQCSCIYBS-VIFPVBQESA-N 0 3 238.291 0.544 20 0 BCADHN C[C@H](NC(=O)[C@@H]1OCC[C@@H]1N)c1ccccc1 ZINC000637869550 351730580 /nfs/dbraw/zinc/73/05/80/351730580.db2.gz XHAYRQKVBZBVOB-ZMLRMANQSA-N 0 3 234.299 0.980 20 0 BCADHN CO[C@@H]1CN[C@](C)(C(=O)Nc2nncs2)C1 ZINC000637869500 351730697 /nfs/dbraw/zinc/73/06/97/351730697.db2.gz WQRZBYQFSHUAHO-RCOVLWMOSA-N 0 3 242.304 0.244 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)Nc1nc2ccccc2[nH]1 ZINC000637868252 351732462 /nfs/dbraw/zinc/73/24/62/351732462.db2.gz WPSTUZQCQRCLRF-XCBNKYQSSA-N 0 3 246.270 0.618 20 0 BCADHN COC[C@]1(C(=O)N2CCOCC2)CCCCN1 ZINC000637870785 351736747 /nfs/dbraw/zinc/73/67/47/351736747.db2.gz JWACLZCYUSWWCK-LBPRGKRZSA-N 0 3 242.319 0.004 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NC1CCCCCC1 ZINC000637874559 351738890 /nfs/dbraw/zinc/73/88/90/351738890.db2.gz NENRWHOOVFITBV-MNOVXSKESA-N 0 3 226.320 0.942 20 0 BCADHN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000637876410 351741485 /nfs/dbraw/zinc/74/14/85/351741485.db2.gz RNHZWAYERCSKHR-LMLFDSFASA-N 0 3 226.320 0.798 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000637876371 351741730 /nfs/dbraw/zinc/74/17/30/351741730.db2.gz LWGDJPLZDODXIZ-MNOVXSKESA-N 0 3 238.262 0.558 20 0 BCADHN COC[C@@H](C)NC(=O)[C@]1(COC)CCCCN1 ZINC000637877141 351742775 /nfs/dbraw/zinc/74/27/75/351742775.db2.gz QSYLARJAUCMXFM-ZYHUDNBSSA-N 0 3 244.335 0.296 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H](C)Cn1ccnc1 ZINC000036999445 358465950 /nfs/dbraw/zinc/46/59/50/358465950.db2.gz DXILIYGNMSSOHU-ZJUUUORDSA-N 0 3 224.308 0.515 20 0 BCADHN CCN(CCC[C@H]1CCO1)CC(=O)N(C)C ZINC000637907059 351777244 /nfs/dbraw/zinc/77/72/44/351777244.db2.gz HCQXZLQZBAWPEM-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCN[C@H](C)C(=O)NCCC(=O)NC(C)C ZINC000637905358 351778485 /nfs/dbraw/zinc/77/84/85/351778485.db2.gz YVNHWAIPRRRHIS-SECBINFHSA-N 0 3 229.324 0.015 20 0 BCADHN CCN[C@H](C)C(=O)N(C)C[C@@H]1CCCO1 ZINC000637909623 351779166 /nfs/dbraw/zinc/77/91/66/351779166.db2.gz SQDTUKFKSQVUSP-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN COC(=O)C1CCN(C(=O)[C@H](N)C(C)C)CC1 ZINC000088445290 351796759 /nfs/dbraw/zinc/79/67/59/351796759.db2.gz WEXKCAJBPLTOCB-SNVBAGLBSA-N 0 3 242.319 0.381 20 0 BCADHN CCN[C@H](C)C(=O)NCCCCOC ZINC000637921850 351796773 /nfs/dbraw/zinc/79/67/73/351796773.db2.gz HQZZQCJUORLZSK-SECBINFHSA-N 0 3 202.298 0.527 20 0 BCADHN CCN[C@H](C)C(=O)Nc1cc(C(N)=O)n(C)c1 ZINC000637924294 351799953 /nfs/dbraw/zinc/79/99/53/351799953.db2.gz IYHSRFGNYSWCKW-SSDOTTSWSA-N 0 3 238.291 0.061 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1c(C)nn(C)c1C ZINC000637924613 351800349 /nfs/dbraw/zinc/80/03/49/351800349.db2.gz MQUYLCBQQKVTRE-VIFPVBQESA-N 0 3 238.335 0.651 20 0 BCADHN Cc1ccccc1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000637887021 351756869 /nfs/dbraw/zinc/75/68/69/351756869.db2.gz PDOACMDYMMDDHE-NWDGAFQWSA-N 0 3 234.299 0.727 20 0 BCADHN CC1(O)CC(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000577822515 366070951 /nfs/dbraw/zinc/07/09/51/366070951.db2.gz ROBQGPFNSKEVIN-RUETXSTFSA-N 0 3 238.331 0.500 20 0 BCADHN CCNC(=O)CNC(=O)[C@@H](N)CCC(C)C ZINC000637888823 351760445 /nfs/dbraw/zinc/76/04/45/351760445.db2.gz JMZRMAQOYFHPRZ-VIFPVBQESA-N 0 3 229.324 0.002 20 0 BCADHN CC1(O)CC(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000577822514 366071169 /nfs/dbraw/zinc/07/11/69/366071169.db2.gz ROBQGPFNSKEVIN-QUNCOHTASA-N 0 3 238.331 0.500 20 0 BCADHN COCCN(C)C[C@@]1(OC)CCOC1 ZINC000637891702 351763924 /nfs/dbraw/zinc/76/39/24/351763924.db2.gz BCSHBWODWDXEOC-JTQLQIEISA-N 0 3 203.282 0.370 20 0 BCADHN CO[C@]1(CN2CCN(C(C)C)CC2)CCOC1 ZINC000637893896 351765020 /nfs/dbraw/zinc/76/50/20/351765020.db2.gz XCJCZFKWQKEWLJ-ZDUSSCGKSA-N 0 3 242.363 0.818 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCSCC1 ZINC000637903521 351773097 /nfs/dbraw/zinc/77/30/97/351773097.db2.gz BHIKIHOBIDFKDF-QMMMGPOBSA-N 0 3 202.323 0.560 20 0 BCADHN CC(C)CCN(C)Cc1cnc(N)nc1N ZINC000637900672 351773276 /nfs/dbraw/zinc/77/32/76/351773276.db2.gz DGKPRICKVKGFLH-UHFFFAOYSA-N 0 3 223.324 0.780 20 0 BCADHN CCN[C@H](C)C(=O)N1CCSCC1 ZINC000637903519 351773298 /nfs/dbraw/zinc/77/32/98/351773298.db2.gz BHIKIHOBIDFKDF-MRVPVSSYSA-N 0 3 202.323 0.560 20 0 BCADHN Cc1cccc(CCNC(=O)[C@@H]2OCC[C@@H]2N)c1 ZINC000637943998 351820430 /nfs/dbraw/zinc/82/04/30/351820430.db2.gz JJNOHYSYAXNUNV-QWHCGFSZSA-N 0 3 248.326 0.770 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1cnn(C)c1 ZINC000637950350 351824987 /nfs/dbraw/zinc/82/49/87/351824987.db2.gz GSDXONZRJOQIKM-QMMMGPOBSA-N 0 3 210.281 0.034 20 0 BCADHN CC(C)(CN1CCCOCC1)N1CCOCC1 ZINC000637948830 351825186 /nfs/dbraw/zinc/82/51/86/351825186.db2.gz AMKHNQYTFDKTHP-UHFFFAOYSA-N 0 3 242.363 0.820 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@@H](C)COC ZINC000637950770 351825669 /nfs/dbraw/zinc/82/56/69/351825669.db2.gz GRNFYHQLXMFKOW-BDAKNGLRSA-N 0 3 202.298 0.383 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000637949996 351826499 /nfs/dbraw/zinc/82/64/99/351826499.db2.gz YZIYOJRLRVXHBA-IUCAKERBSA-N 0 3 243.351 0.404 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)c1nc(C)no1 ZINC000637966182 351838500 /nfs/dbraw/zinc/83/85/00/351838500.db2.gz ZWLWCJYZNLMBQP-RQJHMYQMSA-N 0 3 226.280 0.553 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)CCCOC ZINC000637957837 351833615 /nfs/dbraw/zinc/83/36/15/351833615.db2.gz JGSPKXRQUHZCLD-VIFPVBQESA-N 0 3 202.298 0.479 20 0 BCADHN Cn1cc(C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3N)C2)cn1 ZINC000577846494 366081666 /nfs/dbraw/zinc/08/16/66/366081666.db2.gz GELVPKFFNRZMQQ-WCQGTBRESA-N 0 3 248.330 0.158 20 0 BCADHN CCN[C@H](C)C(=O)N1CCC[C@@H](OC)C1 ZINC000637931002 351807674 /nfs/dbraw/zinc/80/76/74/351807674.db2.gz BXGOLVYESUHGNU-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)N(Cc1cnc(N)nc1N)CC1CC1 ZINC000637932915 351809538 /nfs/dbraw/zinc/80/95/38/351809538.db2.gz ITCBAJMJPYOHDH-UHFFFAOYSA-N 0 3 235.335 0.922 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NCCC(=O)N(C)C ZINC000637933744 351810162 /nfs/dbraw/zinc/81/01/62/351810162.db2.gz FDJJFWVEGVVJPI-JTQLQIEISA-N 0 3 243.351 0.344 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)NCc1cc[nH]n1 ZINC000637933435 351810400 /nfs/dbraw/zinc/81/04/00/351810400.db2.gz MOEHRWURERYUHO-SNVBAGLBSA-N 0 3 224.308 0.789 20 0 BCADHN CC[C@H](C(=O)N1CCC(C)(O)CC1)N(C)C ZINC000178016207 366076754 /nfs/dbraw/zinc/07/67/54/366076754.db2.gz VDQPTEXDBRRONT-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCCOC1CCCC1 ZINC000637937490 351814471 /nfs/dbraw/zinc/81/44/71/351814471.db2.gz SIHCVLZSHFMYQT-MNOVXSKESA-N 0 3 242.319 0.178 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@H]1CCCOC1 ZINC000637937349 351815008 /nfs/dbraw/zinc/81/50/08/351815008.db2.gz JTARFXMWMSZFEK-ZJUUUORDSA-N 0 3 214.309 0.527 20 0 BCADHN CCN[C@@H](C)C(=O)NC(C)(C)c1noc(C)n1 ZINC000637974972 351851426 /nfs/dbraw/zinc/85/14/26/351851426.db2.gz WDCBIIFFKOVIAD-ZETCQYMHSA-N 0 3 240.307 0.727 20 0 BCADHN CCN[C@H](C)C(=O)N1CCS[C@H](C)C1 ZINC000637978343 351853608 /nfs/dbraw/zinc/85/36/08/351853608.db2.gz HIEVHNYBDSTYII-RKDXNWHRSA-N 0 3 216.350 0.948 20 0 BCADHN CC(C)n1cc(NC(=O)[C@@H]2OCC[C@@H]2N)cn1 ZINC000637976913 351854414 /nfs/dbraw/zinc/85/44/14/351854414.db2.gz FZRTZVACWYADHM-VHSXEESVSA-N 0 3 238.291 0.519 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)Nc1cnc(C2CC2)nc1 ZINC000637977413 351854878 /nfs/dbraw/zinc/85/48/78/351854878.db2.gz BTVBGLAOQRWCIE-ZJUUUORDSA-N 0 3 248.286 0.409 20 0 BCADHN CCN[C@H](C)C(=O)N(C)C[C@H]1CCCOC1 ZINC000637983169 351859908 /nfs/dbraw/zinc/85/99/08/351859908.db2.gz LMBBHYOHLHSNPI-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)C[C@@H]1CCCOC1 ZINC000637983171 351860133 /nfs/dbraw/zinc/86/01/33/351860133.db2.gz LMBBHYOHLHSNPI-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CCN[C@@H](C)C(=O)NCCc1nc(C)no1 ZINC000637965507 351839703 /nfs/dbraw/zinc/83/97/03/351839703.db2.gz SVJHAVJDOZGVMA-ZETCQYMHSA-N 0 3 226.280 0.035 20 0 BCADHN CCN[C@H](C)C(=O)NCCNC(=O)C(C)(C)C ZINC000637967809 351842783 /nfs/dbraw/zinc/84/27/83/351842783.db2.gz WROLNFSQGSKFHT-SECBINFHSA-N 0 3 243.351 0.263 20 0 BCADHN CCN(C)C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000637974633 351848522 /nfs/dbraw/zinc/84/85/22/351848522.db2.gz XIMWFAPNIATKHG-ZDUSSCGKSA-N 0 3 249.358 0.924 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N[C@H](C(N)=O)C(C)C ZINC000637985711 351862057 /nfs/dbraw/zinc/86/20/57/351862057.db2.gz GIELTOBRUWRASV-ZJUUUORDSA-N 0 3 243.351 0.376 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000637974305 351849475 /nfs/dbraw/zinc/84/94/75/351849475.db2.gz RYSLTAJQPBAFQP-VHSXEESVSA-N 0 3 241.335 0.110 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@@H]1CCCS1 ZINC000638005866 351879211 /nfs/dbraw/zinc/87/92/11/351879211.db2.gz ZTAASAJKLRFOSB-IUCAKERBSA-N 0 3 216.350 0.996 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CCSC1 ZINC000638005237 351879573 /nfs/dbraw/zinc/87/95/73/351879573.db2.gz MMUAASHFQWGNGY-SFYZADRCSA-N 0 3 202.323 0.606 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)CCCO ZINC000638005375 351880357 /nfs/dbraw/zinc/88/03/57/351880357.db2.gz OVMJDDFURQJUJT-IUCAKERBSA-N 0 3 202.298 0.262 20 0 BCADHN CCN[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000638003250 351881858 /nfs/dbraw/zinc/88/18/58/351881858.db2.gz ZQXBGIREJALFPD-BBBLOLIVSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@H]1CS(=O)(=O)C[C@H]1NC[C@H](O)C(C)(C)C ZINC000574983325 351862568 /nfs/dbraw/zinc/86/25/68/351862568.db2.gz CXPKQDPRDDFLBH-AEJSXWLSSA-N 0 3 249.376 0.416 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](CCO)C(C)C ZINC000637991340 351865018 /nfs/dbraw/zinc/86/50/18/351865018.db2.gz LOLFXOUVTAVTQC-UWVGGRQHSA-N 0 3 216.325 0.508 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@]1(C)CCCO1 ZINC000637989987 351866717 /nfs/dbraw/zinc/86/67/17/351866717.db2.gz CLISDFRBIAPYHE-KOLCDFICSA-N 0 3 214.309 0.670 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1cc(CC)nn1C ZINC000638004000 351882973 /nfs/dbraw/zinc/88/29/73/351882973.db2.gz VMTRWAVUZRQZIF-QMMMGPOBSA-N 0 3 224.308 0.919 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@]1(C)CCCO1 ZINC000637989989 351866896 /nfs/dbraw/zinc/86/68/96/351866896.db2.gz CLISDFRBIAPYHE-ONGXEEELSA-N 0 3 214.309 0.670 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@]1(C)CCCO1 ZINC000637989988 351866911 /nfs/dbraw/zinc/86/69/11/351866911.db2.gz CLISDFRBIAPYHE-MWLCHTKSSA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@@](C)(CN1CCCN(C(N)=O)CC1)OC ZINC000637993759 351867491 /nfs/dbraw/zinc/86/74/91/351867491.db2.gz SEYOSNZXJNWWMN-LBPRGKRZSA-N 0 3 243.351 0.888 20 0 BCADHN CCN(CC1CC1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000637998202 351875720 /nfs/dbraw/zinc/87/57/20/351875720.db2.gz ZRFINZRVUAHJGC-VHSXEESVSA-N 0 3 212.293 0.361 20 0 BCADHN CCN[C@H](C)C(=O)NCC(C)(C)OC ZINC000638004735 351878676 /nfs/dbraw/zinc/87/86/76/351878676.db2.gz GJFOMFOHLUPWNU-MRVPVSSYSA-N 0 3 202.298 0.526 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N1CCN(C)C(=O)C1 ZINC000638004563 351878795 /nfs/dbraw/zinc/87/87/95/351878795.db2.gz RCWLUANJAXFDJG-SNVBAGLBSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)[C@H]1C ZINC000638040388 351920901 /nfs/dbraw/zinc/92/09/01/351920901.db2.gz NNXLJKMHTHVJPW-AATLWQCWSA-N 0 3 212.293 0.360 20 0 BCADHN CO[C@@H]1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2N)C1(C)C ZINC000638039573 351921017 /nfs/dbraw/zinc/92/10/17/351921017.db2.gz WOFSLZVDKHEDIO-AXTSPUMRSA-N 0 3 242.319 0.032 20 0 BCADHN CCN[C@H](C)C(=O)Nc1c(C)c(C)nn1C ZINC000638044928 351924632 /nfs/dbraw/zinc/92/46/32/351924632.db2.gz JMRHMNHCYOGJTE-SECBINFHSA-N 0 3 224.308 0.973 20 0 BCADHN Cc1ccnc(NC(=O)[C@@H]2OCC[C@@H]2N)c1 ZINC000638047902 351925304 /nfs/dbraw/zinc/92/53/04/351925304.db2.gz VUJFJLLCBRGWQI-WCBMZHEXSA-N 0 3 221.260 0.445 20 0 BCADHN CCN[C@H](C)C(=O)NCc1ccncc1 ZINC000638046207 351925384 /nfs/dbraw/zinc/92/53/84/351925384.db2.gz BUTWGXLUTSVSKS-SECBINFHSA-N 0 3 207.277 0.696 20 0 BCADHN CO[C@H]1CN[C@@](C)(C(=O)Nc2ccncc2)C1 ZINC000638049284 351927566 /nfs/dbraw/zinc/92/75/66/351927566.db2.gz ZBBMTGFOUMJKAR-ZYHUDNBSSA-N 0 3 235.287 0.209 20 0 BCADHN CCN[C@H](C)C(=O)NCc1cn2ccccc2n1 ZINC000638051477 351928931 /nfs/dbraw/zinc/92/89/31/351928931.db2.gz IWVCSQOBARKREQ-SNVBAGLBSA-N 0 3 246.314 0.949 20 0 BCADHN Cc1nc(CNC(=O)[C@@H]2OCC[C@@H]2N)cs1 ZINC000638053739 351930883 /nfs/dbraw/zinc/93/08/83/351930883.db2.gz BBISNYQWJSBMON-DTWKUNHWSA-N 0 3 241.316 0.184 20 0 BCADHN C=Cn1cc(CNC[C@H]2CC[C@@H](CO)O2)cn1 ZINC000292817733 187524622 /nfs/dbraw/zinc/52/46/22/187524622.db2.gz WTKZZJWUZJIGFV-NEPJUHHUSA-N 0 3 237.303 0.613 20 0 BCADHN CCN[C@H](C)C(=O)N1CC[C@H](OC)C1 ZINC000638007733 351884142 /nfs/dbraw/zinc/88/41/42/351884142.db2.gz ORHZYPRNUGYKJO-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@H](NC(=O)[C@@H]1OCC[C@@H]1N)C1CCOCC1 ZINC000638015381 351892235 /nfs/dbraw/zinc/89/22/35/351892235.db2.gz NRRDQMQPONIQEK-INTQDDNPSA-N 0 3 242.319 0.034 20 0 BCADHN C[C@H](O)CN1CCN(CCC[C@@H]2CCO2)CC1 ZINC000638027469 351906858 /nfs/dbraw/zinc/90/68/58/351906858.db2.gz SPHYDODKWQADTO-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@H](O)CN1CCN(CCC[C@H]2CCO2)CC1 ZINC000638027470 351906898 /nfs/dbraw/zinc/90/68/98/351906898.db2.gz SPHYDODKWQADTO-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@]1(CNC(=O)[C@@H]2OCC[C@@H]2N)CCCS1 ZINC000638029095 351908871 /nfs/dbraw/zinc/90/88/71/351908871.db2.gz LRIBQRSCJKKMBZ-NGZCFLSTSA-N 0 3 244.360 0.505 20 0 BCADHN O=C1CCN(CCC[C@@H]2CCO2)CCN1 ZINC000638029968 351910774 /nfs/dbraw/zinc/91/07/74/351910774.db2.gz ALQZEDRXIILCJS-SNVBAGLBSA-N 0 3 212.293 0.377 20 0 BCADHN Cc1nc(C)c(NC(=O)[C@@H]2OCC[C@@H]2N)s1 ZINC000638032679 351911768 /nfs/dbraw/zinc/91/17/68/351911768.db2.gz WIDZIDFTZQIRPP-JGVFFNPUSA-N 0 3 241.316 0.815 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@H](OC)C(C)C ZINC000638032560 351911849 /nfs/dbraw/zinc/91/18/49/351911849.db2.gz OHRRKHSXLQPXMM-ZJUUUORDSA-N 0 3 216.325 0.772 20 0 BCADHN CCCN(C)CC(=O)N(C)Cc1nnc(C)o1 ZINC000618067885 351915148 /nfs/dbraw/zinc/91/51/48/351915148.db2.gz XHSAVPDXRLSMKC-UHFFFAOYSA-N 0 3 240.307 0.678 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)[C@H]1CCSC1 ZINC000638143372 352006917 /nfs/dbraw/zinc/00/69/17/352006917.db2.gz ZQKONMKMGYPNNZ-IUCAKERBSA-N 0 3 216.350 0.948 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@H](C)Cn1ccnc1 ZINC000638077887 351950931 /nfs/dbraw/zinc/95/09/31/351950931.db2.gz XTZXHPRWTBHUPF-GHMZBOCLSA-N 0 3 238.335 0.633 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N[C@H]1CCCN(C)C1 ZINC000638080147 351953645 /nfs/dbraw/zinc/95/36/45/351953645.db2.gz ZLUNTLUXFAXJNZ-NWDGAFQWSA-N 0 3 241.379 0.960 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@@]2(N)CC2(F)F)C1 ZINC000638083630 351958528 /nfs/dbraw/zinc/95/85/28/351958528.db2.gz ARFJSLCXPCZLIR-WPRPVWTQSA-N 0 3 247.289 0.181 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@]2(N)CC2(F)F)C1 ZINC000638083621 351958608 /nfs/dbraw/zinc/95/86/08/351958608.db2.gz ARFJSLCXPCZLIR-PSASIEDQSA-N 0 3 247.289 0.181 20 0 BCADHN COc1ccncc1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638090708 351968169 /nfs/dbraw/zinc/96/81/69/351968169.db2.gz KSCAQDUTRWTMMO-OIBJUYFYSA-N 0 3 237.259 0.145 20 0 BCADHN Nc1ncc(CN(CC2CC2)CC2CC2)c(N)n1 ZINC000638090231 351968521 /nfs/dbraw/zinc/96/85/21/351968521.db2.gz CVDPVEWQABCUCO-UHFFFAOYSA-N 0 3 247.346 0.924 20 0 BCADHN C[C@H](O)CCN(C)Cc1ccc(=O)[nH]c1 ZINC000638092608 351969038 /nfs/dbraw/zinc/96/90/38/351969038.db2.gz KRNHWKUJJKPPTG-VIFPVBQESA-N 0 3 210.277 0.990 20 0 BCADHN COCCNCCNC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000638151472 352011877 /nfs/dbraw/zinc/01/18/77/352011877.db2.gz CVHSDISSMYUSKA-GMTAPVOTSA-N 0 3 244.335 0.152 20 0 BCADHN C[C@H]1CCN(Cc2cnc(N)nc2N)C[C@H]1C ZINC000638094291 351973367 /nfs/dbraw/zinc/97/33/67/351973367.db2.gz ZNDTYRBKYSUFAQ-DTWKUNHWSA-N 0 3 235.335 0.780 20 0 BCADHN C[C@@H]1CC[C@@H](C)N(Cc2cnc(N)nc2N)C1 ZINC000638093768 351973484 /nfs/dbraw/zinc/97/34/84/351973484.db2.gz FHQYEDMNJVMAIQ-RKDXNWHRSA-N 0 3 235.335 0.922 20 0 BCADHN C[C@@H]1CN(Cc2cnc(N)nc2N)C[C@H]1C ZINC000638094612 351974877 /nfs/dbraw/zinc/97/48/77/351974877.db2.gz VFHKKJPQOIICIO-HTQZYQBOSA-N 0 3 221.308 0.390 20 0 BCADHN C[C@H](C(=O)Nc1cnc2c(c1)CNCC2)N(C)C ZINC000638151082 352012019 /nfs/dbraw/zinc/01/20/19/352012019.db2.gz BWCPICCYSZCXMJ-SECBINFHSA-N 0 3 248.330 0.616 20 0 BCADHN CO[C@]1(CN2CCc3cn[nH]c3C2)CCOC1 ZINC000638109655 351985403 /nfs/dbraw/zinc/98/54/03/351985403.db2.gz VUPMRQVTMLLERQ-LBPRGKRZSA-N 0 3 237.303 0.573 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)CCn1cccn1 ZINC000638113430 351990534 /nfs/dbraw/zinc/99/05/34/351990534.db2.gz BOFUNBSKZAXJLV-JTQLQIEISA-N 0 3 224.308 0.340 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NCc1ncc[nH]1 ZINC000638115341 351991383 /nfs/dbraw/zinc/99/13/83/351991383.db2.gz QKXDRHDGNYCVEW-VIFPVBQESA-N 0 3 224.308 0.789 20 0 BCADHN CCn1cc(CNC[C@H](O)[C@@H]2CCCO2)cn1 ZINC000527758766 323680587 /nfs/dbraw/zinc/68/05/87/323680587.db2.gz PRRBPXOQRJZSIH-RYUDHWBXSA-N 0 3 239.319 0.533 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638138555 352002990 /nfs/dbraw/zinc/00/29/90/352002990.db2.gz GYRIWDFBQPCUOZ-VIFPVBQESA-N 0 3 248.286 0.149 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1OCC[C@@H]1N)c1ccncc1 ZINC000638134858 352003007 /nfs/dbraw/zinc/00/30/07/352003007.db2.gz QSHFWFDIQRDSID-ADEWGFFLSA-N 0 3 249.314 0.418 20 0 BCADHN C[C@@H]([NH3+])CNC(=O)c1cc(F)c[n-]c1=O ZINC000638212542 352074451 /nfs/dbraw/zinc/07/44/51/352074451.db2.gz ZCEZXWKLOCVYTQ-RXMQYKEDSA-N 0 3 213.212 0.003 20 0 BCADHN NC(=O)N[C@@H]1CCN(CCC[C@H]2CCO2)C1 ZINC000638181013 352047503 /nfs/dbraw/zinc/04/75/03/352047503.db2.gz IURCSCAJJLCQDG-ZJUUUORDSA-N 0 3 227.308 0.298 20 0 BCADHN CC[C@](C)(CN1CC[C@H](NC(N)=O)C1)OC ZINC000638182485 352049436 /nfs/dbraw/zinc/04/94/36/352049436.db2.gz NPLGGPIWBPBQQQ-GXSJLCMTSA-N 0 3 229.324 0.544 20 0 BCADHN CN(CCC[C@H]1CCO1)[C@@H]1CCNC1=O ZINC000638185622 352050093 /nfs/dbraw/zinc/05/00/93/352050093.db2.gz ZOYIWFJHYXJFHH-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CN(CCC[C@@H]1CCO1)[C@H]1CCNC1=O ZINC000638185623 352050357 /nfs/dbraw/zinc/05/03/57/352050357.db2.gz ZOYIWFJHYXJFHH-ZJUUUORDSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CCCCN1C ZINC000638202891 352064050 /nfs/dbraw/zinc/06/40/50/352064050.db2.gz BRTNAXGUJXZYSD-TUAOUCFPSA-N 0 3 239.363 0.680 20 0 BCADHN COc1cccnc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000638203728 352064765 /nfs/dbraw/zinc/06/47/65/352064765.db2.gz HENYPMPUYNJTGL-NXEZZACHSA-N 0 3 249.314 0.913 20 0 BCADHN Cc1nc[nH]c1CC(=O)N1CCN[C@H](C)[C@H]1C ZINC000638204801 352067697 /nfs/dbraw/zinc/06/76/97/352067697.db2.gz FQYSPYAMXMWLAR-PSASIEDQSA-N 0 3 236.319 0.469 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cccnn1 ZINC000638207573 352068834 /nfs/dbraw/zinc/06/88/34/352068834.db2.gz PIUZWTNYQWNUNO-DTWKUNHWSA-N 0 3 220.276 0.299 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cn(C3CC3)nn2)[C@H]1C ZINC000638207580 352069438 /nfs/dbraw/zinc/06/94/38/352069438.db2.gz PNWJEECVXJFUAG-BDAKNGLRSA-N 0 3 249.318 0.435 20 0 BCADHN [NH3+][C@@H](CNC(=O)c1cc(F)c[n-]c1=O)C1CC1 ZINC000638152802 352017087 /nfs/dbraw/zinc/01/70/87/352017087.db2.gz FXPPLHQWDJQCQS-VIFPVBQESA-N 0 3 239.250 0.393 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc(=O)[n-]cn1 ZINC000638157306 352021246 /nfs/dbraw/zinc/02/12/46/352021246.db2.gz LMAVQXLRKMJCFV-JGVFFNPUSA-N 0 3 236.275 0.005 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc(=O)[nH]cn1 ZINC000638157306 352021251 /nfs/dbraw/zinc/02/12/51/352021251.db2.gz LMAVQXLRKMJCFV-JGVFFNPUSA-N 0 3 236.275 0.005 20 0 BCADHN C[C@@H]1CN(C(=O)c2coc(CO)c2)[C@@H](C)CN1 ZINC000638159695 352023724 /nfs/dbraw/zinc/02/37/24/352023724.db2.gz SOVJJXAMYDCFQA-BDAKNGLRSA-N 0 3 238.287 0.594 20 0 BCADHN CCC[C@H]1CNCCN1C(=O)[C@H](CC)N(C)C ZINC000638160209 352024475 /nfs/dbraw/zinc/02/44/75/352024475.db2.gz HPCCENDLZVJUFV-RYUDHWBXSA-N 0 3 241.379 0.927 20 0 BCADHN [NH3+]C1(CNC(=O)c2cc(F)c[n-]c2=O)CCC1 ZINC000638162489 352026382 /nfs/dbraw/zinc/02/63/82/352026382.db2.gz RZLKOVSCIQVCDL-UHFFFAOYSA-N 0 3 239.250 0.538 20 0 BCADHN C[C@H]1CCN(Cc2cnc(N)nc2N)[C@H]1C ZINC000638163636 352027916 /nfs/dbraw/zinc/02/79/16/352027916.db2.gz SUQQKQLKDHZCLE-YUMQZZPRSA-N 0 3 221.308 0.532 20 0 BCADHN C[C@@H](N(C)Cc1cnc(N)nc1N)C1(C)CC1 ZINC000638170296 352034261 /nfs/dbraw/zinc/03/42/61/352034261.db2.gz KPHCJMNPATZHHS-MRVPVSSYSA-N 0 3 235.335 0.922 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)c1ncon1 ZINC000638170585 352035588 /nfs/dbraw/zinc/03/55/88/352035588.db2.gz KWUDOIKTNRLXTK-BQBZGAKWSA-N 0 3 212.253 0.245 20 0 BCADHN CCN[C@H](C)C(=O)N[C@]1(C)CCOC1 ZINC000638172392 352039669 /nfs/dbraw/zinc/03/96/69/352039669.db2.gz WKGJQKSKYGKIQC-PSASIEDQSA-N 0 3 200.282 0.280 20 0 BCADHN CCN[C@H](C)C(=O)NCc1ncoc1C ZINC000638172081 352039873 /nfs/dbraw/zinc/03/98/73/352039873.db2.gz UKGDMAOEOOLJPV-SSDOTTSWSA-N 0 3 211.265 0.597 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NCC(F)(F)CN ZINC000638175672 352041580 /nfs/dbraw/zinc/04/15/80/352041580.db2.gz JGBZSCDVFNYKPX-QMMMGPOBSA-N 0 3 237.294 0.460 20 0 BCADHN CC(C)C[C@H](C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638282484 352120276 /nfs/dbraw/zinc/12/02/76/352120276.db2.gz NJBRIEVHTYMWDC-LPEHRKFASA-N 0 3 214.309 0.653 20 0 BCADHN CCOC[C@H](NC(=O)[C@@H]1OCC[C@@H]1N)C(C)C ZINC000638285875 352121021 /nfs/dbraw/zinc/12/10/21/352121021.db2.gz NPGIUZDKKNRJBW-GARJFASQSA-N 0 3 244.335 0.280 20 0 BCADHN Nc1ncc(CNC2CCCC2)c(N)n1 ZINC000638285199 352121817 /nfs/dbraw/zinc/12/18/17/352121817.db2.gz GJRFMYUGAOXTOW-UHFFFAOYSA-N 0 3 207.281 0.334 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000638290389 352126460 /nfs/dbraw/zinc/12/64/60/352126460.db2.gz RREOHRCLEDNXGO-VHSXEESVSA-N 0 3 243.351 0.343 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)CCc1cnccn1 ZINC000638297020 352131030 /nfs/dbraw/zinc/13/10/30/352131030.db2.gz FSFMIYHTXDQOJM-JTQLQIEISA-N 0 3 236.319 0.476 20 0 BCADHN CCN[C@H](C)C(=O)N(C)CCc1cnccn1 ZINC000638297021 352131153 /nfs/dbraw/zinc/13/11/53/352131153.db2.gz FSFMIYHTXDQOJM-SNVBAGLBSA-N 0 3 236.319 0.476 20 0 BCADHN C[C@H](NCc1cnc(N)nc1N)C1CC1 ZINC000638301743 352132715 /nfs/dbraw/zinc/13/27/15/352132715.db2.gz FLBGITGWVJIZOM-LURJTMIESA-N 0 3 207.281 0.190 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1ncc(CC)o1 ZINC000638305983 352134930 /nfs/dbraw/zinc/13/49/30/352134930.db2.gz GKBZKWMCVFLJOX-QMMMGPOBSA-N 0 3 225.292 0.851 20 0 BCADHN O=C(c1cc(=O)[n-]cn1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000638248671 352094520 /nfs/dbraw/zinc/09/45/20/352094520.db2.gz RSSJRLNMUHBSLC-RKDXNWHRSA-N 0 3 248.286 0.006 20 0 BCADHN Cc1nc[nH]c1CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000638248652 352094593 /nfs/dbraw/zinc/09/45/93/352094593.db2.gz RIHROKIRENDKQZ-IUCAKERBSA-N 0 3 240.282 0.077 20 0 BCADHN C[C@@H](CCC[NH3+])NC(=O)c1cc(F)c[n-]c1=O ZINC000638250961 352094754 /nfs/dbraw/zinc/09/47/54/352094754.db2.gz COICDJDVYBFSHG-ZETCQYMHSA-N 0 3 241.266 0.784 20 0 BCADHN CC[C@H]([NH3+])CNC(=O)c1cc(F)c[n-]c1=O ZINC000638256102 352102911 /nfs/dbraw/zinc/10/29/11/352102911.db2.gz NPMSFIOXJJKAEF-ZETCQYMHSA-N 0 3 227.239 0.393 20 0 BCADHN Cc1cc(N)cc(CNC(=O)[C@@H]2OCC[C@@H]2N)c1 ZINC000638266877 352106688 /nfs/dbraw/zinc/10/66/88/352106688.db2.gz QJINESULZSFICP-NWDGAFQWSA-N 0 3 249.314 0.310 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)Cc1nccn1C ZINC000638270415 352108128 /nfs/dbraw/zinc/10/81/28/352108128.db2.gz DSJDAKRWLJUOND-VIFPVBQESA-N 0 3 224.308 0.377 20 0 BCADHN CCN(Cc1ccncc1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638270631 352108358 /nfs/dbraw/zinc/10/83/58/352108358.db2.gz JWEYWHQSQKPKAH-NWDGAFQWSA-N 0 3 249.314 0.546 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCNC(C)(C)C1 ZINC000638271653 352109532 /nfs/dbraw/zinc/10/95/32/352109532.db2.gz YMXZTLSUSRZINO-NSHDSACASA-N 0 3 241.379 0.960 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCC1(C2CC2)CCC1 ZINC000638308027 352136289 /nfs/dbraw/zinc/13/62/89/352136289.db2.gz FPPPHGCBUKVUOC-MNOVXSKESA-N 0 3 238.331 0.799 20 0 BCADHN CO[C@H]1CCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638275341 352113228 /nfs/dbraw/zinc/11/32/28/352113228.db2.gz JKEXWFFVQHHGKZ-XWLWVQCSSA-N 0 3 242.319 0.034 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000638278155 352114546 /nfs/dbraw/zinc/11/45/46/352114546.db2.gz ZRYKACZCRIYOHX-TVYUQYBPSA-N 0 3 248.326 0.759 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000638279674 352115181 /nfs/dbraw/zinc/11/51/81/352115181.db2.gz QKWYJQPDARGVJZ-UTLUCORTSA-N 0 3 214.309 0.404 20 0 BCADHN [NH3+][C@H]1CC=C(C(=O)NCc2ncccc2[O-])C1 ZINC000638279774 352116551 /nfs/dbraw/zinc/11/65/51/352116551.db2.gz RRFSLVNHZKWHFY-VIFPVBQESA-N 0 3 233.271 0.451 20 0 BCADHN COC[C@@]1(C(=O)NC[C@H](C)OC)CCCCN1 ZINC000638280914 352117283 /nfs/dbraw/zinc/11/72/83/352117283.db2.gz GKDRCKVITVBXRU-CMPLNLGQSA-N 0 3 244.335 0.296 20 0 BCADHN C[C@@H](C[C@H]1CCCC(=O)N1)NCc1cc[nH]n1 ZINC000638329427 352150175 /nfs/dbraw/zinc/15/01/75/352150175.db2.gz QNFUHNZLSLKBKS-VHSXEESVSA-N 0 3 236.319 0.947 20 0 BCADHN CNc1ccccc1C(=O)NC[C@@H]1CNCCO1 ZINC000638337024 352154930 /nfs/dbraw/zinc/15/49/30/352154930.db2.gz BIKNUESRVSVVLF-JTQLQIEISA-N 0 3 249.314 0.447 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CCCC12CC2 ZINC000638337038 352155018 /nfs/dbraw/zinc/15/50/18/352155018.db2.gz BPMZQINBWDGNOG-QWRGUYRKSA-N 0 3 238.331 0.671 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)[C@H]1CCCC12CC2 ZINC000638337039 352155428 /nfs/dbraw/zinc/15/54/28/352155428.db2.gz BPMZQINBWDGNOG-WDEREUQCSA-N 0 3 238.331 0.671 20 0 BCADHN Nc1ncc(CNCC2CCCC2)c(N)n1 ZINC000638335355 352155936 /nfs/dbraw/zinc/15/59/36/352155936.db2.gz MUIAOEJESQRXBG-UHFFFAOYSA-N 0 3 221.308 0.582 20 0 BCADHN C[NH2+]CCCN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000638345753 352165032 /nfs/dbraw/zinc/16/50/32/352165032.db2.gz YCKGKKIMYVNBCW-UHFFFAOYSA-N 0 3 241.266 0.608 20 0 BCADHN O=C1NCCCC[C@@H]1NC1CC(n2cccn2)C1 ZINC000638353562 352167745 /nfs/dbraw/zinc/16/77/45/352167745.db2.gz WYRINICOZFXVIY-MCIGGMRASA-N 0 3 248.330 0.845 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)COCC1CC1 ZINC000638392351 352198098 /nfs/dbraw/zinc/19/80/98/352198098.db2.gz YKIZKLLGQZALGQ-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN CN1CC[C@H]2CCN(C(=O)c3ncc[nH]3)[C@H]2C1 ZINC000613327841 363108869 /nfs/dbraw/zinc/10/88/69/363108869.db2.gz CSJXOBLNTOCHNP-UWVGGRQHSA-N 0 3 234.303 0.576 20 0 BCADHN CN1CC[C@@H]2CCN(C(=O)c3ncc[nH]3)[C@H]2C1 ZINC000613327843 363109004 /nfs/dbraw/zinc/10/90/04/363109004.db2.gz CSJXOBLNTOCHNP-ZJUUUORDSA-N 0 3 234.303 0.576 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638375883 352185868 /nfs/dbraw/zinc/18/58/68/352185868.db2.gz CAYUSWXSCJBFAU-ILAIQSSSSA-N 0 3 224.304 0.407 20 0 BCADHN CC(=O)NCCN(C)C(=O)[C@H](N)CCC(C)C ZINC000638373677 352186624 /nfs/dbraw/zinc/18/66/24/352186624.db2.gz HOIBPEVSNVNNGI-LLVKDONJSA-N 0 3 243.351 0.344 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000638386307 352194409 /nfs/dbraw/zinc/19/44/09/352194409.db2.gz MHUMBWDTADBBJM-JLIMGVALSA-N 0 3 212.293 0.421 20 0 BCADHN C[C@@H]1C[C@H](CNC(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000638314147 352138878 /nfs/dbraw/zinc/13/88/78/352138878.db2.gz JGCJIPRSOHCGDP-CHWFTXMASA-N 0 3 242.319 0.034 20 0 BCADHN CCN[C@@H](C)C(=O)NCC1([C@H](O)C(C)C)CC1 ZINC000638316149 352140019 /nfs/dbraw/zinc/14/00/19/352140019.db2.gz KTOVFOVVCIRZTP-WDEREUQCSA-N 0 3 242.363 0.898 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000638316140 352140029 /nfs/dbraw/zinc/14/00/29/352140029.db2.gz QGCQLRFUKSGMAB-AXFHLTTASA-N 0 3 228.336 0.916 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000638316148 352140083 /nfs/dbraw/zinc/14/00/83/352140083.db2.gz QGCQLRFUKSGMAB-MXWKQRLJSA-N 0 3 228.336 0.916 20 0 BCADHN c1nc(CN[C@H]2COC[C@H]2C2CC2)c[nH]1 ZINC000725270223 538102152 /nfs/dbraw/zinc/10/21/52/538102152.db2.gz YWLADRJBCFNIEM-QWRGUYRKSA-N 0 3 207.277 0.924 20 0 BCADHN c1ncc(CN[C@H]2COC[C@H]2C2CC2)[nH]1 ZINC000725270223 538102153 /nfs/dbraw/zinc/10/21/53/538102153.db2.gz YWLADRJBCFNIEM-QWRGUYRKSA-N 0 3 207.277 0.924 20 0 BCADHN C[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1(C)C ZINC000638317786 352142253 /nfs/dbraw/zinc/14/22/53/352142253.db2.gz RVWXHMBEOBVKJA-GARJFASQSA-N 0 3 240.347 0.997 20 0 BCADHN CCC(CC)CNCc1cnc(N)nc1N ZINC000638330957 352149247 /nfs/dbraw/zinc/14/92/47/352149247.db2.gz YKIQAOZKBSZUFM-UHFFFAOYSA-N 0 3 223.324 0.828 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@H](O)C(C)C ZINC000340282107 352149994 /nfs/dbraw/zinc/14/99/94/352149994.db2.gz WNMSWFBJRHGHGK-JTQLQIEISA-N 0 3 216.325 0.447 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](C)c1nccn1C ZINC000638428970 352237047 /nfs/dbraw/zinc/23/70/47/352237047.db2.gz FWXJDSRQRGHDDU-BDAKNGLRSA-N 0 3 224.308 0.595 20 0 BCADHN CCN[C@@H](C)C(=O)NCC1(COC)CC1 ZINC000638394858 352200470 /nfs/dbraw/zinc/20/04/70/352200470.db2.gz LFFZJWSKYOHAKH-VIFPVBQESA-N 0 3 214.309 0.527 20 0 BCADHN CCN1CCC(NC(=O)c2cncn2C)CC1 ZINC000289992978 352206056 /nfs/dbraw/zinc/20/60/56/352206056.db2.gz KNWIDFXSKLMUHC-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN CCN[C@H](C)C(=O)NCCC1CC(OC)C1 ZINC000638401139 352207264 /nfs/dbraw/zinc/20/72/64/352207264.db2.gz PEMUAMTVAHFURU-KPPDAEKUSA-N 0 3 228.336 0.916 20 0 BCADHN CCC[C@@H](C)C(=O)NCCNCCOC ZINC000212781695 363119441 /nfs/dbraw/zinc/11/94/41/363119441.db2.gz LVFYSXNDUCGWKP-SNVBAGLBSA-N 0 3 216.325 0.775 20 0 BCADHN CCN[C@H](C)C(=O)NCC[C@@H](COC)OC ZINC000638403355 352210053 /nfs/dbraw/zinc/21/00/53/352210053.db2.gz BBZQCEAAYXTBAU-ZJUUUORDSA-N 0 3 232.324 0.152 20 0 BCADHN CCN[C@H](C)C(=O)N(C)Cc1c[nH]cn1 ZINC000638404001 352210644 /nfs/dbraw/zinc/21/06/44/352210644.db2.gz WZDQUMIKHCCEQG-MRVPVSSYSA-N 0 3 210.281 0.366 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2CCCNC2=O)CS1 ZINC000252119772 363124318 /nfs/dbraw/zinc/12/43/18/363124318.db2.gz KQORZMYVGKXHNR-VGMNWLOBSA-N 0 3 214.334 0.749 20 0 BCADHN CN(CCN1CCOCC1)CCC1(O)CCC1 ZINC000411115540 191160133 /nfs/dbraw/zinc/16/01/33/191160133.db2.gz BYAKKLKEAWPYMO-UHFFFAOYSA-N 0 3 242.363 0.556 20 0 BCADHN C[C@]1(CNC(=O)[C@@H]2OCC[C@@H]2N)CC1(F)F ZINC000638416048 352223548 /nfs/dbraw/zinc/22/35/48/352223548.db2.gz SYGLACUCPLGQDT-LKEWCRSYSA-N 0 3 234.246 0.264 20 0 BCADHN O=C1C[C@H](NCc2ccccc2CO)CCCN1 ZINC000638416922 352226211 /nfs/dbraw/zinc/22/62/11/352226211.db2.gz VOEZREPZVCIJMX-CYBMUJFWSA-N 0 3 248.326 0.937 20 0 BCADHN CC1(C)[C@H](CNC(=O)[C@@H]2OCC[C@@H]2N)C1(F)F ZINC000638424369 352231959 /nfs/dbraw/zinc/23/19/59/352231959.db2.gz IDQVYUJEUDAVSD-BIIVOSGPSA-N 0 3 248.273 0.510 20 0 BCADHN CC1(C)C[C@]1(C)NC(=O)CN1CCNCC1 ZINC000638425801 352232976 /nfs/dbraw/zinc/23/29/76/352232976.db2.gz RKQOZNLPKOBAMQ-LBPRGKRZSA-N 0 3 225.336 0.196 20 0 BCADHN CCN1CCN([C@H](C)c2n[nH]c(C)n2)CC1 ZINC000411148971 191164518 /nfs/dbraw/zinc/16/45/18/191164518.db2.gz OPAZAPFGUOEMRI-SECBINFHSA-N 0 3 223.324 0.812 20 0 BCADHN C[C@H](Cc1cnccn1)N[C@H]1CCCNC1=O ZINC000638457877 352266781 /nfs/dbraw/zinc/26/67/81/352266781.db2.gz AAPICIOIGMCKJW-KOLCDFICSA-N 0 3 234.303 0.276 20 0 BCADHN CCC[C@H](CNC(=O)C1(N)CC1)OCC ZINC000638457703 352268170 /nfs/dbraw/zinc/26/81/70/352268170.db2.gz NFXFHUQFXBWXFH-SECBINFHSA-N 0 3 214.309 0.799 20 0 BCADHN CNCC(=O)NCC[C@H]1CCCOC1 ZINC000638458463 352269462 /nfs/dbraw/zinc/26/94/62/352269462.db2.gz SZBQAOSPFVOOHT-SECBINFHSA-N 0 3 200.282 0.139 20 0 BCADHN C[C@@H](N)C(=O)NCC[C@H]1CCCOC1 ZINC000638458781 352269528 /nfs/dbraw/zinc/26/95/28/352269528.db2.gz VRQSUCBBMGFBLE-RKDXNWHRSA-N 0 3 200.282 0.267 20 0 BCADHN CCn1ncnc1CNC[C@@H](C)Cn1ccnc1 ZINC000638437584 352245388 /nfs/dbraw/zinc/24/53/88/352245388.db2.gz OQQYYXYORWGSCN-LLVKDONJSA-N 0 3 248.334 0.920 20 0 BCADHN CN[C@@H](C)C(=O)NC1CCC(OC)CC1 ZINC000638444575 352250817 /nfs/dbraw/zinc/25/08/17/352250817.db2.gz HFSXIXAUYNYOIE-IDKOKCKLSA-N 0 3 214.309 0.668 20 0 BCADHN [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc(=O)[n-]cn1)C2 ZINC000638442090 352251462 /nfs/dbraw/zinc/25/14/62/352251462.db2.gz OETYQGFPJCTMQG-PRHODGIISA-N 0 3 248.286 0.136 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N1C[C@@H]2C[C@@H]2C1 ZINC000638475127 352283552 /nfs/dbraw/zinc/28/35/52/352283552.db2.gz TWAWCSGXVYZGGW-AXFHLTTASA-N 0 3 224.304 0.233 20 0 BCADHN Cc1cccc2c1C[C@@H](NC(=O)[C@H](C)N)CO2 ZINC000638472593 352285687 /nfs/dbraw/zinc/28/56/87/352285687.db2.gz DYLYTHKRUSKMHS-VHSXEESVSA-N 0 3 234.299 0.762 20 0 BCADHN CO[C@H](CN[C@@H]1CC(=O)N(C)C1)CC(C)C ZINC000638478052 352287139 /nfs/dbraw/zinc/28/71/39/352287139.db2.gz WGGBZMFYKFUCRK-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN Cc1cccc2c1C[C@H](NC(=O)CN)CO2 ZINC000638476682 352288407 /nfs/dbraw/zinc/28/84/07/352288407.db2.gz TZFAIEIRCNSIDX-VIFPVBQESA-N 0 3 220.272 0.373 20 0 BCADHN Cc1cc(C(=O)N2CCNC[C@H]2C(C)C)[nH]n1 ZINC000638484766 352294841 /nfs/dbraw/zinc/29/48/41/352294841.db2.gz RODNJPZKZAXRHL-NSHDSACASA-N 0 3 236.319 0.788 20 0 BCADHN Cc1cc(C(=O)N2CCNC[C@H]2C(C)C)n[nH]1 ZINC000638484766 352294844 /nfs/dbraw/zinc/29/48/44/352294844.db2.gz RODNJPZKZAXRHL-NSHDSACASA-N 0 3 236.319 0.788 20 0 BCADHN CC1(C)CN(CC2CCOCC2)C[C@H](CO)O1 ZINC000163784716 352297228 /nfs/dbraw/zinc/29/72/28/352297228.db2.gz UPYVFXGUZKRRRG-GFCCVEGCSA-N 0 3 243.347 0.885 20 0 BCADHN CC[C@H](C(=O)N1CCNC[C@H]1C(C)C)N(C)C ZINC000638491410 352301913 /nfs/dbraw/zinc/30/19/13/352301913.db2.gz IDYOOALJGJLUJD-NEPJUHHUSA-N 0 3 241.379 0.783 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)NCC1CC=CC1 ZINC000638490914 352303867 /nfs/dbraw/zinc/30/38/67/352303867.db2.gz CZGMRZGEZOLQBM-LBPRGKRZSA-N 0 3 238.331 0.837 20 0 BCADHN CCc1nc(C)c(C(=O)NCCN(C)C)o1 ZINC000292275983 352311714 /nfs/dbraw/zinc/31/17/14/352311714.db2.gz HMHAJOAIAMFYKF-UHFFFAOYSA-N 0 3 225.292 0.837 20 0 BCADHN CCN(Cc1cnn(C)c1C)[C@@H](C)CO ZINC000293497644 352352460 /nfs/dbraw/zinc/35/24/60/352352460.db2.gz UEICEDXLAJAGTP-VIFPVBQESA-N 0 3 211.309 0.931 20 0 BCADHN CCSCCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405433247 352354538 /nfs/dbraw/zinc/35/45/38/352354538.db2.gz STJIUMVFWRFRDC-WDEREUQCSA-N 0 3 230.377 0.490 20 0 BCADHN O=C(N[C@H]1CC[NH2+]C12CCC2)c1cc(=O)[n-]cn1 ZINC000638514713 352340628 /nfs/dbraw/zinc/34/06/28/352340628.db2.gz VMSUYRPROMAIEN-VIFPVBQESA-N 0 3 248.286 0.197 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H]1CCCN1CC(F)F ZINC000638518211 352350128 /nfs/dbraw/zinc/35/01/28/352350128.db2.gz ZXJGUYUSJZULQE-HTQZYQBOSA-N 0 3 235.278 0.179 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1CCCN1CC(F)F ZINC000638518214 352350137 /nfs/dbraw/zinc/35/01/37/352350137.db2.gz ZXJGUYUSJZULQE-YUMQZZPRSA-N 0 3 235.278 0.179 20 0 BCADHN NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F ZINC000725271032 538103200 /nfs/dbraw/zinc/10/32/00/538103200.db2.gz YMSZKYNHAZDCOW-ZCFIWIBFSA-N 0 3 232.205 0.849 20 0 BCADHN Cc1c(N)cccc1NC(=O)CCOC1CNC1 ZINC000638526884 352361380 /nfs/dbraw/zinc/36/13/80/352361380.db2.gz OSQKKXWKWNJQJG-UHFFFAOYSA-N 0 3 249.314 0.894 20 0 BCADHN CC1(C)CN[C@H]1C(=O)Nc1cnn(CCF)c1 ZINC000638534106 352367843 /nfs/dbraw/zinc/36/78/43/352367843.db2.gz IGTCCDPEHTZWJY-VIFPVBQESA-N 0 3 240.282 0.789 20 0 BCADHN CC[C@H](NC[C@@H](C)S(C)(=O)=O)[C@H]1CCCO1 ZINC000411515969 191191110 /nfs/dbraw/zinc/19/11/10/191191110.db2.gz IVNFOWHTGVTTBZ-OUAUKWLOSA-N 0 3 249.376 0.967 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCC[C@H]1COC ZINC000638607198 352441287 /nfs/dbraw/zinc/44/12/87/352441287.db2.gz HIFGWTSURVLLPH-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN COC(=O)CCN(C)[C@H](CO)COC(C)C ZINC000411638514 191200666 /nfs/dbraw/zinc/20/06/66/191200666.db2.gz RWMSIOLXMLWXKL-SNVBAGLBSA-N 0 3 233.308 0.267 20 0 BCADHN CN(C)[C@@H](CNC(N)=O)Cc1ccccc1 ZINC000073478208 352422415 /nfs/dbraw/zinc/42/24/15/352422415.db2.gz MGHMVQVZWNLHGG-LLVKDONJSA-N 0 3 221.304 0.828 20 0 BCADHN CCCN(CCN1CCCC1)[C@H]1COC[C@H]1O ZINC000411721215 191205933 /nfs/dbraw/zinc/20/59/33/191205933.db2.gz RRARDKJHWZTJPJ-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN CCOC[C@@H](N[C@H]1CCCNC1=O)C(C)C ZINC000411715388 191206458 /nfs/dbraw/zinc/20/64/58/191206458.db2.gz BMJJEGBNPXQCMX-WDEREUQCSA-N 0 3 228.336 0.916 20 0 BCADHN Cc1ncccc1CNC(=O)C(N)C(F)(F)F ZINC000638600818 352433410 /nfs/dbraw/zinc/43/34/10/352433410.db2.gz FDBNKGZTTSNVJM-QMMMGPOBSA-N 0 3 247.220 0.896 20 0 BCADHN CCN1CCCC[C@H]1CNCc1ncnn1C ZINC000638603703 352440113 /nfs/dbraw/zinc/44/01/13/352440113.db2.gz BYMIQAIZTIPTBT-NSHDSACASA-N 0 3 237.351 0.779 20 0 BCADHN CC(C)N(C)C(=O)CN(C)CCN(C)C1CC1 ZINC000411540554 191193214 /nfs/dbraw/zinc/19/32/14/191193214.db2.gz FODMKBGMGXBCTA-UHFFFAOYSA-N 0 3 241.379 0.879 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCC[C@@H]1COC ZINC000638607199 352440671 /nfs/dbraw/zinc/44/06/71/352440671.db2.gz HIFGWTSURVLLPH-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN COC(=O)CCN1CC[C@@](O)(C(F)F)C1 ZINC000411794242 191212350 /nfs/dbraw/zinc/21/23/50/191212350.db2.gz JCGJKDWRVFPUBP-VIFPVBQESA-N 0 3 223.219 0.251 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1Cc2ccccc2NC1=O ZINC000638623429 352461050 /nfs/dbraw/zinc/46/10/50/352461050.db2.gz DQSQEEXLBVIPNE-XVKPBYJWSA-N 0 3 233.271 0.013 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1Cc2ccccc2NC1=O ZINC000638623896 352462033 /nfs/dbraw/zinc/46/20/33/352462033.db2.gz LUKQPBLNXBFARD-GXSJLCMTSA-N 0 3 247.298 0.403 20 0 BCADHN O=C(N[C@@H]1Cc2ccccc2NC1=O)[C@H]1CCN1 ZINC000638625811 352463758 /nfs/dbraw/zinc/46/37/58/352463758.db2.gz IHSKRYGERMOYOW-GHMZBOCLSA-N 0 3 245.282 0.028 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1Cc2ccccc2NC1=O ZINC000638627988 352466619 /nfs/dbraw/zinc/46/66/19/352466619.db2.gz VIROCYCXYNJMDO-GZMMTYOYSA-N 0 3 247.298 0.274 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638627578 352468136 /nfs/dbraw/zinc/46/81/36/352468136.db2.gz RMUKBHCRXCKXAK-OJHQEIPXSA-N 0 3 242.319 0.031 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000638630204 352468968 /nfs/dbraw/zinc/46/89/68/352468968.db2.gz QVCRGRYVNFQVHS-WLRJLXCNSA-N 0 3 214.309 0.652 20 0 BCADHN CCOC[C@H]1CN(C(=O)CNC(C)C)CCO1 ZINC000638606646 352443447 /nfs/dbraw/zinc/44/34/47/352443447.db2.gz WULPVSGWOGRBRQ-LLVKDONJSA-N 0 3 244.335 0.248 20 0 BCADHN CO[C@@H](CNCc1cnc(N)nc1N)C(C)C ZINC000638702964 352543132 /nfs/dbraw/zinc/54/31/32/352543132.db2.gz WPKQBYKEDWNYBW-VIFPVBQESA-N 0 3 239.323 0.062 20 0 BCADHN Nc1ncc(CNCCCC2CC2)c(N)n1 ZINC000638660999 352502915 /nfs/dbraw/zinc/50/29/15/352502915.db2.gz XLJFBLAYVNKKPB-UHFFFAOYSA-N 0 3 221.308 0.582 20 0 BCADHN N[C@@H](C(=O)N1CCO[C@@H](CCF)C1)C1CCC1 ZINC000638683437 352520204 /nfs/dbraw/zinc/52/02/04/352520204.db2.gz HTEJNQOWCGLHBW-WDEREUQCSA-N 0 3 244.310 0.701 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCO[C@H](CCF)C1 ZINC000638683115 352520813 /nfs/dbraw/zinc/52/08/13/352520813.db2.gz CHGAQUXTBRKTKO-MXWKQRLJSA-N 0 3 246.326 0.947 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCO[C@H](CCF)C1 ZINC000638684974 352523147 /nfs/dbraw/zinc/52/31/47/352523147.db2.gz WJGLIPQCDGBVJJ-ZJUUUORDSA-N 0 3 232.299 0.557 20 0 BCADHN C[C@@H](N)C(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000638689109 352525263 /nfs/dbraw/zinc/52/52/63/352525263.db2.gz LPTSESVTDGEQSR-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000638694794 352531796 /nfs/dbraw/zinc/53/17/96/352531796.db2.gz ILIQMNGZZJAITR-UJNFCWOMSA-N 0 3 212.293 0.278 20 0 BCADHN NC1(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)CCCC1 ZINC000638695485 352532608 /nfs/dbraw/zinc/53/26/08/352532608.db2.gz OJNQARUBGMXMBT-QWRGUYRKSA-N 0 3 238.331 0.942 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1ccc[nH]c1=O ZINC000638726914 352585780 /nfs/dbraw/zinc/58/57/80/352585780.db2.gz YFGQZQGPLNXDGG-SECBINFHSA-N 0 3 235.287 0.401 20 0 BCADHN CSCC[C@H](N)C(=O)N1CCOC(C)(C)C1 ZINC000040461816 352597713 /nfs/dbraw/zinc/59/77/13/352597713.db2.gz VISCYSHSVHATQL-VIFPVBQESA-N 0 3 246.376 0.704 20 0 BCADHN CSCC[C@H](N)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000040457835 352598211 /nfs/dbraw/zinc/59/82/11/352598211.db2.gz HQYGPUWMVVIVGL-GUBZILKMSA-N 0 3 246.376 0.703 20 0 BCADHN CC(C)(N)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000040923720 352600437 /nfs/dbraw/zinc/60/04/37/352600437.db2.gz JQZCBTNAMNSJKV-UWVGGRQHSA-N 0 3 226.320 0.894 20 0 BCADHN O=C(CNC[C@H]1CCCO1)NCC(F)(F)F ZINC000042206603 352615388 /nfs/dbraw/zinc/61/53/88/352615388.db2.gz YPRHBOZULAEFNS-SSDOTTSWSA-N 0 3 240.225 0.434 20 0 BCADHN O=C(NCC1(C(F)F)CC1)[C@H]1CNCCOC1 ZINC000638722249 352574041 /nfs/dbraw/zinc/57/40/41/352574041.db2.gz WMZUVZZYZSHNBG-QMMMGPOBSA-N 0 3 248.273 0.384 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000638722926 352575592 /nfs/dbraw/zinc/57/55/92/352575592.db2.gz BAWFTRZFTHNUHF-GMTAPVOTSA-N 0 3 226.320 0.670 20 0 BCADHN CN1CCC[C@@H](NC2CC(n3cccn3)C2)C1=O ZINC000638723885 352577755 /nfs/dbraw/zinc/57/77/55/352577755.db2.gz BRYCNNXHPJLLIX-HTAVTVPLSA-N 0 3 248.330 0.797 20 0 BCADHN CCn1ccc(NC(=O)[C@H](N)CCSC)n1 ZINC000300866982 352577773 /nfs/dbraw/zinc/57/77/73/352577773.db2.gz JYCGEYVAHJQUJW-MRVPVSSYSA-N 0 3 242.348 0.922 20 0 BCADHN Nc1ncc(CNC2(C3CC3)CC2)c(N)n1 ZINC000638739490 352672470 /nfs/dbraw/zinc/67/24/70/352672470.db2.gz YEBLXHJEQXPNCM-UHFFFAOYSA-N 0 3 219.292 0.334 20 0 BCADHN COC[C@@H](C)N1CCN(C)C[C@H](C(=O)OC)C1 ZINC000411907935 191229352 /nfs/dbraw/zinc/22/93/52/191229352.db2.gz PXHUGDQRPLCEPW-MNOVXSKESA-N 0 3 244.335 0.058 20 0 BCADHN CN1CCC[C@H](NC(=O)COCC2CC2)C1 ZINC000617414549 352622593 /nfs/dbraw/zinc/62/25/93/352622593.db2.gz LHDFIZXJYXPTAN-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000617415476 352625949 /nfs/dbraw/zinc/62/59/49/352625949.db2.gz CVVIEGJLZQYHDN-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN CCN(C(=O)CNC[C@@H]1CCCO1)C1CC1 ZINC000042339155 352626819 /nfs/dbraw/zinc/62/68/19/352626819.db2.gz JAGVWHHXFRGNFA-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN COCCCC(=O)N[C@H]1CCCN(C)C1 ZINC000617415556 352630568 /nfs/dbraw/zinc/63/05/68/352630568.db2.gz HDNYSITUOHAYNU-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N1CCCC2(CC2)CC1 ZINC000638760595 352695286 /nfs/dbraw/zinc/69/52/86/352695286.db2.gz SZDMUEDGAGSDNJ-MNOVXSKESA-N 0 3 238.331 0.895 20 0 BCADHN CC(C)N1CC[C@@H](N2C[C@H](O)C[C@H](C)C2)C1=O ZINC000412030470 191242428 /nfs/dbraw/zinc/24/24/28/191242428.db2.gz FNDSGGBIUNEWQF-QJPTWQEYSA-N 0 3 240.347 0.698 20 0 BCADHN C[C@H](N[C@@H]1CC(=O)N(C)C1)[C@@H]1CCCCO1 ZINC000623882937 352723061 /nfs/dbraw/zinc/72/30/61/352723061.db2.gz NOGMWVQTVYYXOH-AXFHLTTASA-N 0 3 226.320 0.764 20 0 BCADHN CCN1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC000341780233 352726755 /nfs/dbraw/zinc/72/67/55/352726755.db2.gz NSMDOSHWWBKQDT-LBPRGKRZSA-N 0 3 241.379 0.879 20 0 BCADHN CC1(CN2CCN3C(=O)NC[C@H]3C2)CCC1 ZINC000334186398 352775593 /nfs/dbraw/zinc/77/55/93/352775593.db2.gz GISFMFZSBPVMEA-JTQLQIEISA-N 0 3 223.320 0.886 20 0 BCADHN C[C@H]1SCCN(CCN2CCNC2=O)[C@@H]1C ZINC000334180428 352767960 /nfs/dbraw/zinc/76/79/60/352767960.db2.gz AVTHECYFANYGHO-NXEZZACHSA-N 0 3 243.376 0.837 20 0 BCADHN C[C@@H]1[C@H](C)SCCN1CCN1CCNC1=O ZINC000334180442 352768203 /nfs/dbraw/zinc/76/82/03/352768203.db2.gz AVTHECYFANYGHO-ZJUUUORDSA-N 0 3 243.376 0.837 20 0 BCADHN C[C@H]1CN(C)CCN1CCc1ccnn1C ZINC000334181365 352769094 /nfs/dbraw/zinc/76/90/94/352769094.db2.gz BGDPKBXBKAPVER-NSHDSACASA-N 0 3 222.336 0.599 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1CCC(=O)N(C)C ZINC000334182741 352771665 /nfs/dbraw/zinc/77/16/65/352771665.db2.gz DSDCHQHFPUWAFF-WDEREUQCSA-N 0 3 227.352 0.489 20 0 BCADHN CC(C)NC(=O)CN1CCCN(C)CC1 ZINC000334220190 352822235 /nfs/dbraw/zinc/82/22/35/352822235.db2.gz GPVDDHWUPWBNRD-UHFFFAOYSA-N 0 3 213.325 0.149 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCCC12CC2 ZINC000638794120 352827284 /nfs/dbraw/zinc/82/72/84/352827284.db2.gz AOAQBPMRGDYPKM-AXFHLTTASA-N 0 3 238.331 0.799 20 0 BCADHN NC1(C(=O)N2CC[C@H](C3CCOCC3)C2)CC1 ZINC000334189955 352780261 /nfs/dbraw/zinc/78/02/61/352780261.db2.gz MFWVDKBAMCHYPP-NSHDSACASA-N 0 3 238.331 0.753 20 0 BCADHN CC(C)(C)[C@H]1CCN(CCO)C[C@H]1O ZINC000334191113 352781756 /nfs/dbraw/zinc/78/17/56/352781756.db2.gz JNZDYXMFEUDENZ-VHSXEESVSA-N 0 3 201.310 0.708 20 0 BCADHN C[C@H]1CCN(CCS(=O)(=O)N(C)C)C[C@H]1C ZINC000334211611 352809264 /nfs/dbraw/zinc/80/92/64/352809264.db2.gz PXSPWRGOTOPRLF-WDEREUQCSA-N 0 3 248.392 0.856 20 0 BCADHN CC[C@@H]1CCCN1CC(=O)NC(=O)NC ZINC000334235006 352851808 /nfs/dbraw/zinc/85/18/08/352851808.db2.gz KCJYATXPHCFEPU-MRVPVSSYSA-N 0 3 213.281 0.316 20 0 BCADHN COC[C@@H](C)N1CCSC[C@@H](C(=O)OC)C1 ZINC000412088593 191255960 /nfs/dbraw/zinc/25/59/60/191255960.db2.gz WVQIVIHABMUHAM-ZJUUUORDSA-N 0 3 247.360 0.859 20 0 BCADHN O[C@@H]1COCC[C@H]1NCc1ccc2c(n1)CCC2 ZINC000628466968 358473266 /nfs/dbraw/zinc/47/32/66/358473266.db2.gz LDXGPVPYRGZGTA-ZIAGYGMSSA-N 0 3 248.326 0.810 20 0 BCADHN OC[C@@]1(F)CCN(CC2(O)CCC2)C1 ZINC000334244556 352833826 /nfs/dbraw/zinc/83/38/26/352833826.db2.gz ZUSMHEWUCGEEGE-SECBINFHSA-N 0 3 203.257 0.308 20 0 BCADHN CS(=O)(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000334246019 352836689 /nfs/dbraw/zinc/83/66/89/352836689.db2.gz SPISVKGMFURXCS-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN C[C@@]1(O)CCCN([C@@H]2CCCNC2=O)C1 ZINC000334272933 352910647 /nfs/dbraw/zinc/91/06/47/352910647.db2.gz YEFLWPSAURMFHC-MWLCHTKSSA-N 0 3 212.293 0.112 20 0 BCADHN CC(C)N1CCC(N2C(=O)N[C@H](C)C2=O)CC1 ZINC000334278453 352912656 /nfs/dbraw/zinc/91/26/56/352912656.db2.gz FAQYDOROBDYANY-SECBINFHSA-N 0 3 239.319 0.800 20 0 BCADHN COC[C@@]1(C)CN(C(=O)[C@H](N)C(C)C)CCO1 ZINC000638797657 352916379 /nfs/dbraw/zinc/91/63/79/352916379.db2.gz UWJLOXXLBUUACW-ZYHUDNBSSA-N 0 3 244.335 0.234 20 0 BCADHN CCOC(=O)C(C)(C)C(=O)N(C)CCN(C)C ZINC000342875850 352885318 /nfs/dbraw/zinc/88/53/18/352885318.db2.gz YHGXWNJHXHQSQJ-UHFFFAOYSA-N 0 3 244.335 0.596 20 0 BCADHN CCC(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000334262365 352895533 /nfs/dbraw/zinc/89/55/33/352895533.db2.gz ZLTHSNIFMDDYER-UWVGGRQHSA-N 0 3 212.293 0.328 20 0 BCADHN CCC(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000334262366 352895703 /nfs/dbraw/zinc/89/57/03/352895703.db2.gz ZLTHSNIFMDDYER-VHSXEESVSA-N 0 3 212.293 0.328 20 0 BCADHN C[C@H]1OCC[C@H]1NC(=O)C12CCCN1CCC2 ZINC000334265083 352899491 /nfs/dbraw/zinc/89/94/91/352899491.db2.gz LJTTXKJBJJSBKL-GHMZBOCLSA-N 0 3 238.331 0.908 20 0 BCADHN COC(CN1CCc2cc[nH]c(=O)c2C1)OC ZINC000366791161 352904081 /nfs/dbraw/zinc/90/40/81/352904081.db2.gz BVWQCCXQEDONER-UHFFFAOYSA-N 0 3 238.287 0.764 20 0 BCADHN CC[C@H](O)CN1CCN(C)CC1(C)C ZINC000334341364 352977462 /nfs/dbraw/zinc/97/74/62/352977462.db2.gz JAPPOLMYUXLCFE-JTQLQIEISA-N 0 3 200.326 0.783 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)C(N)C(F)(F)F)C1 ZINC000638807359 352981609 /nfs/dbraw/zinc/98/16/09/352981609.db2.gz KVFOARWFPTWBHJ-XVMARJQXSA-N 0 3 240.225 0.417 20 0 BCADHN CNS(=O)(=O)C1CCN(C[C@@H]2C[C@@H]2C)CC1 ZINC000334350105 352982119 /nfs/dbraw/zinc/98/21/19/352982119.db2.gz AVXGYPBXFUBHAJ-UWVGGRQHSA-N 0 3 246.376 0.656 20 0 BCADHN NCC(=O)N1CCOc2cc(F)ccc2C1 ZINC000638809001 352986086 /nfs/dbraw/zinc/98/60/86/352986086.db2.gz WXSZCHTXLZWGLN-UHFFFAOYSA-N 0 3 224.235 0.505 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000638809725 352987550 /nfs/dbraw/zinc/98/75/50/352987550.db2.gz WUCMPQRFETUPSR-MMWGEVLESA-N 0 3 228.336 0.901 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccnn1C ZINC000334309571 352941908 /nfs/dbraw/zinc/94/19/08/352941908.db2.gz IQZLYXQFEWAZMO-WDEREUQCSA-N 0 3 222.336 0.945 20 0 BCADHN Cc1nnc(NC2CCN(C)CC2)nc1C ZINC000164477463 352957733 /nfs/dbraw/zinc/95/77/33/352957733.db2.gz UEAQDKONWNTESJ-UHFFFAOYSA-N 0 3 221.308 0.995 20 0 BCADHN O=C(C[C@@H]1CCOC1)N1CCN2CCC1CC2 ZINC000334328636 352965821 /nfs/dbraw/zinc/96/58/21/352965821.db2.gz IJEPYEKSXRZYHH-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN O=C(C[C@H]1CCOC1)N1CCN2CCC1CC2 ZINC000334328631 352965969 /nfs/dbraw/zinc/96/59/69/352965969.db2.gz IJEPYEKSXRZYHH-LLVKDONJSA-N 0 3 238.331 0.720 20 0 BCADHN C[C@H](NCC(=O)N1CCOCC1)[C@H]1CC1(F)F ZINC000638841942 353017744 /nfs/dbraw/zinc/01/77/44/353017744.db2.gz HFJZYLLHTMAIDB-DTWKUNHWSA-N 0 3 248.273 0.479 20 0 BCADHN C[C@H](NCC(=O)N1CCOCC1)[C@@H]1CC1(F)F ZINC000638841943 353017751 /nfs/dbraw/zinc/01/77/51/353017751.db2.gz HFJZYLLHTMAIDB-IUCAKERBSA-N 0 3 248.273 0.479 20 0 BCADHN CN(CCC[C@@H]1CCO1)CCNC(=O)N(C)C ZINC000638844423 353020683 /nfs/dbraw/zinc/02/06/83/353020683.db2.gz KVZPYSLGODQPHC-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN CCc1nn(C)cc1CNCC(C)(C)O ZINC000092391799 538106709 /nfs/dbraw/zinc/10/67/09/538106709.db2.gz OQZOJLQPLULMQQ-UHFFFAOYSA-N 0 3 211.309 0.843 20 0 BCADHN CCNC(=O)CNC1CC(n2cccn2)C1 ZINC000638847891 353027646 /nfs/dbraw/zinc/02/76/46/353027646.db2.gz TZEVFUVOFVOUHB-UHFFFAOYSA-N 0 3 222.292 0.312 20 0 BCADHN CC[C@](C)(NC(=O)CNCCOC)C1CC1 ZINC000638857488 353033850 /nfs/dbraw/zinc/03/38/50/353033850.db2.gz GFNBLGAZMKDIGF-LBPRGKRZSA-N 0 3 228.336 0.917 20 0 BCADHN CC[C@@](C)(NC(=O)CN1CCNCC1)C1CC1 ZINC000638858313 353034418 /nfs/dbraw/zinc/03/44/18/353034418.db2.gz NIZRRZADPNSDQY-CYBMUJFWSA-N 0 3 239.363 0.587 20 0 BCADHN CCn1nc(C)c(CN(C)C(=O)[C@H](C)N)c1C ZINC000638828211 353007325 /nfs/dbraw/zinc/00/73/25/353007325.db2.gz ITNOQOXDAXYNDP-QMMMGPOBSA-N 0 3 238.335 0.825 20 0 BCADHN CCn1nc(C)c(CN(C)C(=O)CN)c1C ZINC000638829046 353008122 /nfs/dbraw/zinc/00/81/22/353008122.db2.gz KVLFLWLRDXTUNF-UHFFFAOYSA-N 0 3 224.308 0.437 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC000334362044 353013490 /nfs/dbraw/zinc/01/34/90/353013490.db2.gz CLRZVIBGXLMWLB-AAEUAGOBSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1nn(C)cc1CN[C@H](C)C[C@@H](C)O ZINC000164514439 353066336 /nfs/dbraw/zinc/06/63/36/353066336.db2.gz JMDFRFXOEVTSPS-RKDXNWHRSA-N 0 3 211.309 0.978 20 0 BCADHN C[C@@H](NCC(=O)N(C)C)[C@@H]1CC1(F)F ZINC000638864738 353038289 /nfs/dbraw/zinc/03/82/89/353038289.db2.gz CGTPTMNAYWPESJ-RQJHMYQMSA-N 0 3 206.236 0.708 20 0 BCADHN NCC(=O)NCC[C@@H]1CNc2ccccc21 ZINC000638864761 353038311 /nfs/dbraw/zinc/03/83/11/353038311.db2.gz UBSSROWEWPXPKT-SECBINFHSA-N 0 3 219.288 0.661 20 0 BCADHN COC[C@](C)(CO)NC[C@H](OC)[C@@H]1CCOC1 ZINC000638873934 353043979 /nfs/dbraw/zinc/04/39/79/353043979.db2.gz NQOFZWSYPSFCBD-WOPDTQHZSA-N 0 3 247.335 0.025 20 0 BCADHN COC[C@@](C)(CO)NC[C@@H](OC)C1CC1 ZINC000638874510 353044548 /nfs/dbraw/zinc/04/45/48/353044548.db2.gz UNZIIIWKZNNYOB-GHMZBOCLSA-N 0 3 217.309 0.398 20 0 BCADHN O=C(c1ccccc1[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916098 353077726 /nfs/dbraw/zinc/07/77/26/353077726.db2.gz YAYIFBPHFKMQBY-IUCAKERBSA-N 0 3 218.256 0.579 20 0 BCADHN O=C(c1cc(F)c[n-]c1=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917150 353081143 /nfs/dbraw/zinc/08/11/43/353081143.db2.gz ARAUYGLMNFIMHT-YUMQZZPRSA-N 0 3 237.234 0.113 20 0 BCADHN C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(F)c[n-]c1=O ZINC000638931765 353093081 /nfs/dbraw/zinc/09/30/81/353093081.db2.gz RMUMICKPAHTVKH-POYBYMJQSA-N 0 3 239.250 0.488 20 0 BCADHN C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cc(F)c[n-]c1=O ZINC000638931767 353093186 /nfs/dbraw/zinc/09/31/86/353093186.db2.gz RMUMICKPAHTVKH-XPUUQOCRSA-N 0 3 239.250 0.488 20 0 BCADHN C[C@H]1CN(C)CCN1C(=O)C(N)C(F)(F)F ZINC000334417598 353101100 /nfs/dbraw/zinc/10/11/00/353101100.db2.gz OWYAPTQEVWKPTC-NKWVEPMBSA-N 0 3 239.241 0.039 20 0 BCADHN C[C@@H]1CN(C)CCN1C(=O)C(N)C(F)(F)F ZINC000334417601 353101225 /nfs/dbraw/zinc/10/12/25/353101225.db2.gz OWYAPTQEVWKPTC-RNFRBKRXSA-N 0 3 239.241 0.039 20 0 BCADHN Cn1ncnc1CN1CC[C@@H](N2CCCCC2)C1 ZINC000336701041 180855510 /nfs/dbraw/zinc/85/55/10/180855510.db2.gz HDKWCYJXZCBNIU-GFCCVEGCSA-N 0 3 249.362 0.875 20 0 BCADHN C1CC(N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000334140575 188059129 /nfs/dbraw/zinc/05/91/29/188059129.db2.gz HIJLPTIWWUQWRU-GFCCVEGCSA-N 0 3 210.321 0.945 20 0 BCADHN CC(C)N(CC(=O)NC(C)(C)C)C[C@@H](C)O ZINC000107044124 188060198 /nfs/dbraw/zinc/06/01/98/188060198.db2.gz OJUCYCNMGDKZLN-SNVBAGLBSA-N 0 3 230.352 0.992 20 0 BCADHN COCCN(CCOC)[C@@H]1CCOC1 ZINC000355760712 188064140 /nfs/dbraw/zinc/06/41/40/188064140.db2.gz PYCSQIFQSMZNMR-SNVBAGLBSA-N 0 3 203.282 0.370 20 0 BCADHN CSC[C@@H](C)NC(=O)N(C)CCN(C)C ZINC000356087553 188064639 /nfs/dbraw/zinc/06/46/39/188064639.db2.gz HRTISMZUQZFDRF-SECBINFHSA-N 0 3 233.381 0.941 20 0 BCADHN CC(C)COC[C@H](O)CN1CC[C@@H](O)C1 ZINC000114562924 188067073 /nfs/dbraw/zinc/06/70/73/188067073.db2.gz XJWKUERLLXSWLG-GHMZBOCLSA-N 0 3 217.309 0.087 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1C=C[C@@H](CO)C1 ZINC000359481837 188068200 /nfs/dbraw/zinc/06/82/00/188068200.db2.gz LFVZIGBOLGPFLL-GHMZBOCLSA-N 0 3 226.320 0.380 20 0 BCADHN CC(C)=CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000359359168 188068547 /nfs/dbraw/zinc/06/85/47/188068547.db2.gz HYUVMSFHQLWVTP-GFCCVEGCSA-N 0 3 241.335 0.318 20 0 BCADHN CC(C)C[C@H](C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000360926879 188070226 /nfs/dbraw/zinc/07/02/26/188070226.db2.gz XUCGYWAOBMOXJX-AAEUAGOBSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@H](O)C[C@H](C)NCc1cnc2cnccn12 ZINC000361043990 188070419 /nfs/dbraw/zinc/07/04/19/188070419.db2.gz QNANMIZHVHHUEN-UWVGGRQHSA-N 0 3 234.303 0.978 20 0 BCADHN CN1C(=O)N[C@]2(CCN(CC(C)(C)C)C2)C1=O ZINC000362390196 188071255 /nfs/dbraw/zinc/07/12/55/188071255.db2.gz SKGWJXLDGFUNRG-LBPRGKRZSA-N 0 3 239.319 0.659 20 0 BCADHN CC(C)[C@H](CO)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000362092584 188071952 /nfs/dbraw/zinc/07/19/52/188071952.db2.gz AIRAXVVCFOLBOH-PWSUYJOCSA-N 0 3 242.363 0.850 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)CC(=O)NC1CC1 ZINC000037619469 358475723 /nfs/dbraw/zinc/47/57/23/358475723.db2.gz FAIZQQKSRSUFFG-SNVBAGLBSA-N 0 3 241.335 0.241 20 0 BCADHN CCCCN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116891271 188073443 /nfs/dbraw/zinc/07/34/43/188073443.db2.gz MHKWHXACCUNEDS-SECBINFHSA-N 0 3 220.338 0.410 20 0 BCADHN CC(C)(O)CCNC(=O)C12CCCN1CCC2 ZINC000368674931 188073497 /nfs/dbraw/zinc/07/34/97/188073497.db2.gz FTDVQGPTAWTABH-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN CC(=O)CCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368972038 188073786 /nfs/dbraw/zinc/07/37/86/188073786.db2.gz FBMLGMFMBJBIPF-GARJFASQSA-N 0 3 224.304 0.551 20 0 BCADHN C(C1CCOCC1)N1CCN2CCOC[C@@H]2C1 ZINC000375238877 188077106 /nfs/dbraw/zinc/07/71/06/188077106.db2.gz DOFCEMDXRUGFRX-ZDUSSCGKSA-N 0 3 240.347 0.429 20 0 BCADHN CC(C)CO[C@H]1CCN(CCOCCO)C1 ZINC000305050860 188077437 /nfs/dbraw/zinc/07/74/37/188077437.db2.gz MSKKZGMBGYTISQ-LBPRGKRZSA-N 0 3 231.336 0.742 20 0 BCADHN Cc1n[nH]cc1CN[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000305913981 188079115 /nfs/dbraw/zinc/07/91/15/188079115.db2.gz ANMXPRBRQYSXHQ-NEPJUHHUSA-N 0 3 248.330 0.961 20 0 BCADHN Cn1cccc1C(=O)CN1CCN2CCC[C@H]2C1 ZINC000246376322 188086506 /nfs/dbraw/zinc/08/65/06/188086506.db2.gz APWFLBOSRZUKSJ-LBPRGKRZSA-N 0 3 247.342 0.988 20 0 BCADHN CC(=O)CCC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000334596727 188083520 /nfs/dbraw/zinc/08/35/20/188083520.db2.gz VDXIMSKRYIYMGJ-CYBMUJFWSA-N 0 3 238.331 0.910 20 0 BCADHN COCC[C@@H](C)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188494380 353176860 /nfs/dbraw/zinc/17/68/60/353176860.db2.gz RJIXCZVDHQJICT-HRDYMLBCSA-N 0 3 218.272 0.228 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@H](C)COC ZINC000188493996 353177039 /nfs/dbraw/zinc/17/70/39/353177039.db2.gz VTZGTVGJMBITFO-BDAKNGLRSA-N 0 3 202.298 0.478 20 0 BCADHN Cn1nncc1CN[C@H]1CCC[C@@H]1CCO ZINC000330364110 180871291 /nfs/dbraw/zinc/87/12/91/180871291.db2.gz DYVMNMWTNOECAS-KOLCDFICSA-N 0 3 224.308 0.456 20 0 BCADHN CC[C@@H]1CN(C)CCCN1C(=O)c1cn[nH]n1 ZINC000300551654 538109552 /nfs/dbraw/zinc/10/95/52/538109552.db2.gz SVFNCWKHFFQJJK-SECBINFHSA-N 0 3 237.307 0.361 20 0 BCADHN CCN1CCC(N(C)Cc2nnn(C)n2)CC1 ZINC000328679389 353163164 /nfs/dbraw/zinc/16/31/64/353163164.db2.gz UAODVNMLYQJZOI-UHFFFAOYSA-N 0 3 238.339 0.126 20 0 BCADHN CC(C)N(CCOCCO)Cc1cnn(C)c1 ZINC000265067481 188086916 /nfs/dbraw/zinc/08/69/16/188086916.db2.gz VINYAHJDUUGHPA-UHFFFAOYSA-N 0 3 241.335 0.639 20 0 BCADHN CCN1CCC(NC(=O)Cn2ccnc2)CC1 ZINC000330671605 353179015 /nfs/dbraw/zinc/17/90/15/353179015.db2.gz FKBRZAOFQQCTPF-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN Cn1cc(CNC[C@@H]2C[C@H]3C[C@H]3C2)nn1 ZINC000638974941 353180439 /nfs/dbraw/zinc/18/04/39/353180439.db2.gz DZRRTMQXTAZRFT-ILWJIGKKSA-N 0 3 206.293 0.951 20 0 BCADHN O=C(CN1CCNCC1)N[C@@]12C[C@@H]1CCCC2 ZINC000638975193 353182364 /nfs/dbraw/zinc/18/23/64/353182364.db2.gz YDVQRRQHVWYHGP-AAEUAGOBSA-N 0 3 237.347 0.341 20 0 BCADHN CC(C)C[C@@H](N)C(=O)Nc1ccc(=O)n(C)c1 ZINC000037770309 188114927 /nfs/dbraw/zinc/11/49/27/188114927.db2.gz OXBFURRBUGOFLP-SNVBAGLBSA-N 0 3 237.303 0.697 20 0 BCADHN CCOCCN1CCC(OCCCO)CC1 ZINC000154968967 538111011 /nfs/dbraw/zinc/11/10/11/538111011.db2.gz CTWKNNNVEXPHRL-UHFFFAOYSA-N 0 3 231.336 0.886 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@@H](C)[C@@H](O)C1)N(C)C ZINC000357876469 188145910 /nfs/dbraw/zinc/14/59/10/188145910.db2.gz DCSBAZAHQXXEPP-GRYCIOLGSA-N 0 3 242.363 0.802 20 0 BCADHN CC[C@H](N[C@@H](C)COC)C(=O)N1CCOCC1 ZINC000165191993 353214947 /nfs/dbraw/zinc/21/49/47/353214947.db2.gz WRYDIKOOIXBJCK-QWRGUYRKSA-N 0 3 244.335 0.248 20 0 BCADHN CC(C)C[C@@H](CO)NCc1cncnc1 ZINC000054768080 188126691 /nfs/dbraw/zinc/12/66/91/188126691.db2.gz DVJCHXJHYWAOFJ-NSHDSACASA-N 0 3 209.293 0.973 20 0 BCADHN Cc1nccn1CCNCc1nccn1C ZINC000070797700 188130143 /nfs/dbraw/zinc/13/01/43/188130143.db2.gz VCVJNPVBQNGICO-UHFFFAOYSA-N 0 3 219.292 0.715 20 0 BCADHN CC(=O)NCCCNCc1c(C)cnn1C ZINC000309403225 188130713 /nfs/dbraw/zinc/13/07/13/188130713.db2.gz WPKQZLVNSMUFLI-UHFFFAOYSA-N 0 3 224.308 0.344 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]CCOCCO)n1 ZINC000082432756 188138238 /nfs/dbraw/zinc/13/82/38/188138238.db2.gz GOOFZAAPPVKBDZ-UHFFFAOYSA-N 0 3 226.276 0.194 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCN(C2CC2)CC1 ZINC000037826981 188153181 /nfs/dbraw/zinc/15/31/81/188153181.db2.gz MNUPSVYTNSKGSG-NSHDSACASA-N 0 3 225.336 0.276 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCCC2)[C@H]1CO ZINC000248993487 188159668 /nfs/dbraw/zinc/15/96/68/188159668.db2.gz XNSNOQXEHIXGPO-MNOVXSKESA-N 0 3 226.320 0.312 20 0 BCADHN CN[C@@H](C)C(=O)Nc1c2c(nn1C)CCCC2 ZINC000638988654 353220590 /nfs/dbraw/zinc/22/05/90/353220590.db2.gz GNKUIGWDZRYQTD-QMMMGPOBSA-N 0 3 236.319 0.845 20 0 BCADHN CC(C)(CNCc1cncnc1)OCCO ZINC000336665217 188163194 /nfs/dbraw/zinc/16/31/94/188163194.db2.gz PIHGOGUQTPUHPE-UHFFFAOYSA-N 0 3 225.292 0.354 20 0 BCADHN CC(C)(O)CC(=O)N1CCNC(C)(C)C1 ZINC000308825286 188165092 /nfs/dbraw/zinc/16/50/92/188165092.db2.gz DKQYKVPHAYKZQV-UHFFFAOYSA-N 0 3 214.309 0.358 20 0 BCADHN Cc1n[nH]cc1CNCC1([S@@](C)=O)CC1 ZINC000336736573 188167948 /nfs/dbraw/zinc/16/79/48/188167948.db2.gz PHZZNYGATCEPOL-OAHLLOKOSA-N 0 3 227.333 0.719 20 0 BCADHN COC1(CN[C@@H](C)CS(C)(=O)=O)CCCC1 ZINC000309645483 188169343 /nfs/dbraw/zinc/16/93/43/188169343.db2.gz MDFSJVQKOUZTDQ-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN C[C@@H](CC1CCC1)NC(=O)CN1CCNCC1 ZINC000638993668 353226701 /nfs/dbraw/zinc/22/67/01/353226701.db2.gz AYCXYJJAVHTGQI-NSHDSACASA-N 0 3 239.363 0.587 20 0 BCADHN C/C=C/C[C@H](CO)NC(=O)[C@@H](CC)N(C)C ZINC000187160830 188171451 /nfs/dbraw/zinc/17/14/51/188171451.db2.gz WEFRMYGDCMSOGI-HOGLGZINSA-N 0 3 228.336 0.770 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@H](C)Cn1cccn1 ZINC000236758230 188149349 /nfs/dbraw/zinc/14/93/49/188149349.db2.gz XKGSLROUYKIOBV-QWRGUYRKSA-N 0 3 238.335 0.619 20 0 BCADHN CC[C@@H](O)CC(=O)NCCN1CCC[C@H](C)C1 ZINC000331344431 353245241 /nfs/dbraw/zinc/24/52/41/353245241.db2.gz ZWFIUCGADLYAOV-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1nccn1CCN[C@H](C(N)=O)C(C)(C)C ZINC000270874305 188198319 /nfs/dbraw/zinc/19/83/19/188198319.db2.gz MHIWPLZXAMOHQG-SNVBAGLBSA-N 0 3 238.335 0.681 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H](C)c1ncon1)N(C)C ZINC000272142891 188199396 /nfs/dbraw/zinc/19/93/96/188199396.db2.gz DVERTMIOJQOZHG-RKDXNWHRSA-N 0 3 240.307 0.833 20 0 BCADHN C=Cn1cc(CNC[C@H]2CN(C)CCO2)cn1 ZINC000194354439 188175736 /nfs/dbraw/zinc/17/57/36/188175736.db2.gz REKVFXZZOBOSCP-LBPRGKRZSA-N 0 3 236.319 0.404 20 0 BCADHN CCC[C@@H](O)CN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000577861590 366086615 /nfs/dbraw/zinc/08/66/15/366086615.db2.gz GGUXTGGEODAHOC-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000639004568 353254167 /nfs/dbraw/zinc/25/41/67/353254167.db2.gz QAVJXJXFFFMTSG-HSUXUTPPSA-N 0 3 210.199 0.791 20 0 BCADHN C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)[C@@H](C)CN1 ZINC000227355575 188184231 /nfs/dbraw/zinc/18/42/31/188184231.db2.gz SCZKQNMBXMPAES-BDAKNGLRSA-N 0 3 235.287 0.197 20 0 BCADHN CC(C)[C@H](C)N(C)CCNS(C)(=O)=O ZINC000337351976 188185214 /nfs/dbraw/zinc/18/52/14/188185214.db2.gz XOAFNWOCKRVHIQ-VIFPVBQESA-N 0 3 222.354 0.512 20 0 BCADHN NC1(C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000638998066 353240364 /nfs/dbraw/zinc/24/03/64/353240364.db2.gz DUSGBAOPDRZLHI-WDEREUQCSA-N 0 3 238.331 0.942 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000339191464 188191021 /nfs/dbraw/zinc/19/10/21/188191021.db2.gz RKPHSZVGRRIYQU-VXGBXAGGSA-N 0 3 242.363 0.946 20 0 BCADHN CC(=O)N(C)CC(=O)NCC1(N(C)C)CCC1 ZINC000332068238 188192592 /nfs/dbraw/zinc/19/25/92/188192592.db2.gz SWOCUZATFYFUKU-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CC(C)COC[C@@H](O)CN1CCC[C@@H](O)C1 ZINC000301317066 188216228 /nfs/dbraw/zinc/21/62/28/188216228.db2.gz YBQFSKWZISBBSN-NEPJUHHUSA-N 0 3 231.336 0.477 20 0 BCADHN Cc1c(CN2CC[C@@H](C)[C@@H]2CO)cnn1C ZINC000275962024 188202391 /nfs/dbraw/zinc/20/23/91/188202391.db2.gz BMHKKLGFLDAAGE-SKDRFNHKSA-N 0 3 223.320 0.931 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cnnn2C)CN1C1CC1 ZINC000282952580 188207444 /nfs/dbraw/zinc/20/74/44/188207444.db2.gz ZISJVEQQHSMCLJ-RKDXNWHRSA-N 0 3 249.318 0.170 20 0 BCADHN CC(C)C[C@@H](CO)N[C@H](C)c1ccc(=O)[nH]n1 ZINC000286084766 188208094 /nfs/dbraw/zinc/20/80/94/188208094.db2.gz MLNGOFUKYWDPRD-ZJUUUORDSA-N 0 3 239.319 0.828 20 0 BCADHN CN(C(=O)[C@H]1C[C@H](F)CN1)[C@H]1CCSC1 ZINC000188800589 353266948 /nfs/dbraw/zinc/26/69/48/353266948.db2.gz DXAZPNXKBCTEGY-XHNCKOQMSA-N 0 3 232.324 0.650 20 0 BCADHN CCN[C@@H](C)C(=O)NC1(C)CCOCC1 ZINC000639014179 353267437 /nfs/dbraw/zinc/26/74/37/353267437.db2.gz XBGYOLOUUICPNN-VIFPVBQESA-N 0 3 214.309 0.670 20 0 BCADHN CC(C)[N@H+](C)CC(=O)NCc1ncccc1[O-] ZINC000352502486 188229896 /nfs/dbraw/zinc/22/98/96/188229896.db2.gz VGXFIGHCKBXKOA-UHFFFAOYSA-N 0 3 237.303 0.744 20 0 BCADHN CC(C)[N@@H+](C)CC(=O)NCc1ncccc1[O-] ZINC000352502486 188229898 /nfs/dbraw/zinc/22/98/98/188229898.db2.gz VGXFIGHCKBXKOA-UHFFFAOYSA-N 0 3 237.303 0.744 20 0 BCADHN CC(C)N(C)CC(=O)NCc1ncccc1O ZINC000352502486 188229901 /nfs/dbraw/zinc/22/99/01/188229901.db2.gz VGXFIGHCKBXKOA-UHFFFAOYSA-N 0 3 237.303 0.744 20 0 BCADHN OC[C@H]1CCN(CCOCC(F)F)C1 ZINC000189373763 353291468 /nfs/dbraw/zinc/29/14/68/353291468.db2.gz PVIKKESYIPLDTB-QMMMGPOBSA-N 0 3 209.236 0.582 20 0 BCADHN Cn1cccc1C(=O)CN1CCN2CCC[C@@H]2C1 ZINC000094462646 188223216 /nfs/dbraw/zinc/22/32/16/188223216.db2.gz APWFLBOSRZUKSJ-GFCCVEGCSA-N 0 3 247.342 0.988 20 0 BCADHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)N1CCC1 ZINC000332053165 188227642 /nfs/dbraw/zinc/22/76/42/188227642.db2.gz NVOISJODXFTXSA-SNVBAGLBSA-N 0 3 249.380 0.255 20 0 BCADHN C[C@@H]1CN(C(=O)NC[C@H]2CCCO2)[C@@H](C)CN1 ZINC000333847640 188228013 /nfs/dbraw/zinc/22/80/13/188228013.db2.gz WONCHSHSUXHEJV-OUAUKWLOSA-N 0 3 241.335 0.557 20 0 BCADHN CNCC(=O)NCCc1ccc(OC)c(O)c1 ZINC000639046211 353336070 /nfs/dbraw/zinc/33/60/70/353336070.db2.gz JRNJXAPMZCSTCY-UHFFFAOYSA-N 0 3 238.287 0.279 20 0 BCADHN CCCNC(=O)CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252882083 353313004 /nfs/dbraw/zinc/31/30/04/353313004.db2.gz UCZWCRZQKHIMHN-DCAQKATOSA-N 0 3 226.320 0.215 20 0 BCADHN C[C@H](C[C@@H]1CCCC(=O)N1)NC1(C(N)=O)CC1 ZINC000639042075 353323216 /nfs/dbraw/zinc/32/32/16/353323216.db2.gz ASHCJIGAGFKSSU-BDAKNGLRSA-N 0 3 239.319 0.041 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000334500421 353324062 /nfs/dbraw/zinc/32/40/62/353324062.db2.gz AJHQGVFBOFHNLR-ZJUUUORDSA-N 0 3 239.319 0.854 20 0 BCADHN CC1(C)C[C@@H](NC2(C(N)=O)CC2)CCO1 ZINC000639042760 353325720 /nfs/dbraw/zinc/32/57/20/353325720.db2.gz JLGZBBRDAYFZRA-QMMMGPOBSA-N 0 3 212.293 0.552 20 0 BCADHN C[C@@H](NC1(C(N)=O)CC1)[C@@H]1CCCCO1 ZINC000639043389 353326854 /nfs/dbraw/zinc/32/68/54/353326854.db2.gz VFQXYVHELSQLRL-BDAKNGLRSA-N 0 3 212.293 0.552 20 0 BCADHN CC[C@@H](O)CN1CCN(C[C@H](O)CC)CC1 ZINC000165471557 353359315 /nfs/dbraw/zinc/35/93/15/353359315.db2.gz HNPZODCRNUBQCK-VXGBXAGGSA-N 0 3 230.352 0.146 20 0 BCADHN C(C[C@@H]1CCO1)CN1CCN2CCOC[C@@H]2C1 ZINC000639058151 353363474 /nfs/dbraw/zinc/36/34/74/353363474.db2.gz HUQAMDAZWPOEOU-QWHCGFSZSA-N 0 3 240.347 0.572 20 0 BCADHN Cc1nnsc1CNC[C@]1(O)CCN(C)C1 ZINC000639049456 353344311 /nfs/dbraw/zinc/34/43/11/353344311.db2.gz RPKWAIGWCYYYDJ-SNVBAGLBSA-N 0 3 242.348 0.003 20 0 BCADHN C[C@](O)(CO)CNCc1ccccc1F ZINC000085251420 538116224 /nfs/dbraw/zinc/11/62/24/538116224.db2.gz BHFYXPKJWYMUER-LLVKDONJSA-N 0 3 213.252 0.659 20 0 BCADHN Cc1ccc(CNC[C@](C)(O)CO)cc1 ZINC000085251211 538116240 /nfs/dbraw/zinc/11/62/40/538116240.db2.gz GEVBTFCOVFMBOY-LBPRGKRZSA-N 0 3 209.289 0.828 20 0 BCADHN C[C@@](O)(CO)CNCc1ccc(F)c(F)c1 ZINC000085250970 538116244 /nfs/dbraw/zinc/11/62/44/538116244.db2.gz WYKLQBFGLJDCNS-NSHDSACASA-N 0 3 231.242 0.798 20 0 BCADHN Cc1ccc(CNC[C@@](C)(O)CO)cc1 ZINC000085251213 538116318 /nfs/dbraw/zinc/11/63/18/538116318.db2.gz GEVBTFCOVFMBOY-GFCCVEGCSA-N 0 3 209.289 0.828 20 0 BCADHN CC[C@@](C)(CN1CCN2CCOC[C@@H]2C1)OC ZINC000639062104 353371434 /nfs/dbraw/zinc/37/14/34/353371434.db2.gz QPWFETZFRKFEOS-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN CC[C@](C)(CN1CCN2CCOC[C@@H]2C1)OC ZINC000639062103 353371604 /nfs/dbraw/zinc/37/16/04/353371604.db2.gz QPWFETZFRKFEOS-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN CCCOCC(=O)NC[C@](C)(O)CCN(C)C ZINC000352111579 535227753 /nfs/dbraw/zinc/22/77/53/535227753.db2.gz LWMQYNNUCLVZDS-GFCCVEGCSA-N 0 3 246.351 0.232 20 0 BCADHN CCN(C)C(=O)CN[C@H](C)Cc1cnccn1 ZINC000639066722 353380936 /nfs/dbraw/zinc/38/09/36/353380936.db2.gz ROYNGTHURXLKQF-SNVBAGLBSA-N 0 3 236.319 0.476 20 0 BCADHN [NH3+]C[C@H]1CN(Cc2cc([O-])cc(F)c2)CCO1 ZINC000165540217 353388596 /nfs/dbraw/zinc/38/85/96/353388596.db2.gz WKPDRPHJQHVNND-LBPRGKRZSA-N 0 3 240.278 0.691 20 0 BCADHN COC[C@H](CC(C)C)N[C@H](C)C(N)=O ZINC000308616433 538117041 /nfs/dbraw/zinc/11/70/41/538117041.db2.gz RVUDYRDTZCCNHW-BDAKNGLRSA-N 0 3 202.298 0.511 20 0 BCADHN CC1(C)C[C@@H](NCc2cn[nH]n2)CCO1 ZINC000398348925 363223833 /nfs/dbraw/zinc/22/38/33/363223833.db2.gz RCZNDBRBWUUFTJ-QMMMGPOBSA-N 0 3 210.281 0.852 20 0 BCADHN CC[C@@H](NC(=O)[C@@H]1OCC[C@@H]1N)C(F)F ZINC000639078086 353403088 /nfs/dbraw/zinc/40/30/88/353403088.db2.gz VOMLSHXQPHIGGI-RRKCRQDMSA-N 0 3 222.235 0.263 20 0 BCADHN CC[C@@H](NC(=O)CNC1CC1)C(F)F ZINC000639078179 353403215 /nfs/dbraw/zinc/40/32/15/353403215.db2.gz XSCCVUIHMHOBAJ-SSDOTTSWSA-N 0 3 206.236 0.898 20 0 BCADHN O[C@@H]1C[C@H](O)CN(Cc2ccccc2)C1 ZINC000135770656 538116599 /nfs/dbraw/zinc/11/65/99/538116599.db2.gz ARTDOWDQPXVXAF-TXEJJXNPSA-N 0 3 207.273 0.614 20 0 BCADHN COC(=O)CCN(CC(C)C)C(=O)[C@H](C)N ZINC000037816928 358478409 /nfs/dbraw/zinc/47/84/09/358478409.db2.gz ARAYYDSXRSDUFY-VIFPVBQESA-N 0 3 230.308 0.381 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)CC(=O)NC(C)C ZINC000037801345 358478426 /nfs/dbraw/zinc/47/84/26/358478426.db2.gz MJNRBWLYASHINI-SNVBAGLBSA-N 0 3 243.351 0.487 20 0 BCADHN CCC[C@H](N)C(=O)N1CCCC[C@H]1C(=O)OC ZINC000037804402 358478443 /nfs/dbraw/zinc/47/84/43/358478443.db2.gz OWNQXXQIMXWLKF-UWVGGRQHSA-N 0 3 242.319 0.668 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCO[C@@H]1C)N(C)C ZINC000412394007 191279082 /nfs/dbraw/zinc/27/90/82/191279082.db2.gz KTTYTXGNKAZULM-AEJSXWLSSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CO[C@@H](C)C1)N(C)C ZINC000412394004 191279206 /nfs/dbraw/zinc/27/92/06/191279206.db2.gz KSJGIVWEQQZXQM-LPEHRKFASA-N 0 3 214.309 0.478 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000191149549 353439570 /nfs/dbraw/zinc/43/95/70/353439570.db2.gz WAWGMSDXXRHMAW-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CC1(F)F)N(C)C ZINC000412394017 191280157 /nfs/dbraw/zinc/28/01/57/191280157.db2.gz KZUIKDKHPSHPQW-BQBZGAKWSA-N 0 3 206.236 0.708 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H]1CC[C@H](O)C1 ZINC000191193523 353446817 /nfs/dbraw/zinc/44/68/17/353446817.db2.gz ZNDIAPHYROYFEF-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CCC[C@H](C(=O)NC[C@@H]1CC[C@H](O)C1)N(C)C ZINC000191218456 353449293 /nfs/dbraw/zinc/44/92/93/353449293.db2.gz XOVRWYSWUQDNCK-GRYCIOLGSA-N 0 3 242.363 0.994 20 0 BCADHN COCCNCC(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000230242630 353481455 /nfs/dbraw/zinc/48/14/55/353481455.db2.gz GYVWJVODQKRLPO-MNOVXSKESA-N 0 3 244.335 0.106 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1c[nH]nc1C ZINC000309080438 491052236 /nfs/dbraw/zinc/05/22/36/491052236.db2.gz OWAUOQVBVYPYGQ-APPZFPTMSA-N 0 3 213.281 0.376 20 0 BCADHN CO[C@@H]1CN(C(=O)C2(N)CCC2)CC[C@H]1C ZINC000230244271 353481899 /nfs/dbraw/zinc/48/18/99/353481899.db2.gz NBVPSSXYIWAAHD-NXEZZACHSA-N 0 3 226.320 0.751 20 0 BCADHN CC(C)(C)[C@@H](O)C[C@H](CO)NC1CSC1 ZINC000309082795 491052238 /nfs/dbraw/zinc/05/22/38/491052238.db2.gz SCWSERNWZZBMMY-SCZZXKLOSA-N 0 3 233.377 0.849 20 0 BCADHN CO[C@@H]1CN(C(=O)C2(N)CCC2)CC[C@@H]1C ZINC000230244267 353482120 /nfs/dbraw/zinc/48/21/20/353482120.db2.gz NBVPSSXYIWAAHD-VHSXEESVSA-N 0 3 226.320 0.751 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC[C@@](C)(OC)C1 ZINC000230273355 353483622 /nfs/dbraw/zinc/48/36/22/353483622.db2.gz BNTFGSSZTGZXOI-NEPJUHHUSA-N 0 3 245.319 0.411 20 0 BCADHN CCN(CC(N)=O)C[C@](C)(OC)C1CC1 ZINC000639096389 353484689 /nfs/dbraw/zinc/48/46/89/353484689.db2.gz CXFDZNXMRYFXPD-NSHDSACASA-N 0 3 214.309 0.609 20 0 BCADHN COC[C@@H](O)CCNCc1cccc(OC)n1 ZINC000191524582 353488359 /nfs/dbraw/zinc/48/83/59/353488359.db2.gz NRQDESCEFVJJSA-NSHDSACASA-N 0 3 240.303 0.577 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NCC(C)(C)C(N)=O)C1 ZINC000230390017 353491878 /nfs/dbraw/zinc/49/18/78/353491878.db2.gz VWZWYNINTVUYQO-RKDXNWHRSA-N 0 3 241.335 0.002 20 0 BCADHN COCCNCCNC(=O)NCC1CC=CC1 ZINC000627082240 363231385 /nfs/dbraw/zinc/23/13/85/363231385.db2.gz GKKJOJMWLAAEOI-UHFFFAOYSA-N 0 3 241.335 0.488 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1cc[nH]c(=O)c1 ZINC000230189047 353474690 /nfs/dbraw/zinc/47/46/90/353474690.db2.gz HACKZQPYQZRIRE-NSHDSACASA-N 0 3 249.314 0.541 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ncccc1C ZINC000227346407 363233842 /nfs/dbraw/zinc/23/38/42/363233842.db2.gz QNXLNZWOWMPZSN-MRVPVSSYSA-N 0 3 209.249 0.302 20 0 BCADHN CCC[C@H](N)C(=O)N(CC(=O)OCC)C1CC1 ZINC000037825632 358479030 /nfs/dbraw/zinc/47/90/30/358479030.db2.gz ZFTOGNYSQDYACY-JTQLQIEISA-N 0 3 242.319 0.668 20 0 BCADHN CC(C)CN(CCN(C)C)C(=O)c1nc[nH]n1 ZINC000095040408 353528797 /nfs/dbraw/zinc/52/87/97/353528797.db2.gz HWWXPMVXCDAPGP-UHFFFAOYSA-N 0 3 239.323 0.465 20 0 BCADHN N[C@H](C(=O)NCCc1ccccn1)C1CCC1 ZINC000398991825 353495936 /nfs/dbraw/zinc/49/59/36/353495936.db2.gz LQIXWZYPZPWBNL-LBPRGKRZSA-N 0 3 233.315 0.868 20 0 BCADHN CC[C@H]1CN(C(=O)CNC)CCN1CC(F)F ZINC000193140626 353580889 /nfs/dbraw/zinc/58/08/89/353580889.db2.gz SKBULCIXMOANBN-VIFPVBQESA-N 0 3 249.305 0.394 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C(=O)[C@H](N)C(C)C ZINC000037823452 358479153 /nfs/dbraw/zinc/47/91/53/358479153.db2.gz ABDNFJDHDMEIFI-DTWKUNHWSA-N 0 3 230.308 0.237 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C(=O)[C@@H](N)CC(C)C ZINC000037823507 358479227 /nfs/dbraw/zinc/47/92/27/358479227.db2.gz ZYEITQHTNVVJDX-UWVGGRQHSA-N 0 3 244.335 0.627 20 0 BCADHN O=C(CNC1CC2(CCC2)C1)N1CCOCC1 ZINC000334512976 353554795 /nfs/dbraw/zinc/55/47/95/353554795.db2.gz DDXQMCAYRFORGA-UHFFFAOYSA-N 0 3 238.331 0.768 20 0 BCADHN OC1(CNCc2cncc(F)c2)CCOCC1 ZINC000230940107 353554922 /nfs/dbraw/zinc/55/49/22/353554922.db2.gz IXIVWWYBQYAQEQ-UHFFFAOYSA-N 0 3 240.278 0.852 20 0 BCADHN CN(C)C1(CNc2cncc3ncnn32)CC1 ZINC000642310886 363239840 /nfs/dbraw/zinc/23/98/40/363239840.db2.gz QRSOTFOORKUFFZ-UHFFFAOYSA-N 0 3 232.291 0.630 20 0 BCADHN C[C@@H]1CN(C)CCN1C(=O)c1ccnc(CN)c1 ZINC000231720259 353647046 /nfs/dbraw/zinc/64/70/46/353647046.db2.gz PFCOADCVQYWIGC-SNVBAGLBSA-N 0 3 248.330 0.316 20 0 BCADHN CCN(Cc1ccncc1)C(=O)C1(N)CC1 ZINC000083834980 353615543 /nfs/dbraw/zinc/61/55/43/353615543.db2.gz BHGDHVCZKHOSSU-UHFFFAOYSA-N 0 3 219.288 0.921 20 0 BCADHN CCN(CC(=O)N[C@H](C)C(=O)N(C)C)C(C)C ZINC000194097632 353617642 /nfs/dbraw/zinc/61/76/42/353617642.db2.gz IXUNRTVSGXHHRQ-SNVBAGLBSA-N 0 3 243.351 0.310 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC(=O)[C@H]1CCCCN1 ZINC000231854496 353660162 /nfs/dbraw/zinc/66/01/62/353660162.db2.gz SDPSYBFSZGMSEK-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@@H](C)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000334519873 353675924 /nfs/dbraw/zinc/67/59/24/353675924.db2.gz RSYRHVASZNFBCD-RKDXNWHRSA-N 0 3 220.338 0.538 20 0 BCADHN CCN1CCC[C@H](NC(=O)Cn2cccn2)C1 ZINC000194643745 353690175 /nfs/dbraw/zinc/69/01/75/353690175.db2.gz JRWRAFUYWJJKHM-NSHDSACASA-N 0 3 236.319 0.484 20 0 BCADHN O=C1NCC[C@H]1N1CC[C@H](N2CCCC2)C1 ZINC000178196828 366105387 /nfs/dbraw/zinc/10/53/87/366105387.db2.gz DMVUFPSXTCKQJT-WDEREUQCSA-N 0 3 223.320 0.045 20 0 BCADHN O=C1CCC[C@H](CNCc2ccns2)N1 ZINC000639114383 353722536 /nfs/dbraw/zinc/72/25/36/353722536.db2.gz CPMQMKVOBOZRNP-MRVPVSSYSA-N 0 3 225.317 0.901 20 0 BCADHN CC(C)(C)OCCN1CCC(C(N)=O)CC1 ZINC000065949324 353767154 /nfs/dbraw/zinc/76/71/54/353767154.db2.gz BPUAYPCMGCCHAT-UHFFFAOYSA-N 0 3 228.336 0.999 20 0 BCADHN COC[C@H](CO)N[C@H](C)[C@@H]1CC1(F)F ZINC000639125684 353822288 /nfs/dbraw/zinc/82/22/88/353822288.db2.gz ZMJIXWZLHABNRJ-CSMHCCOUSA-N 0 3 209.236 0.627 20 0 BCADHN OC[C@@H](CNCc1ccns1)[C@H]1CCOC1 ZINC000639129163 353834248 /nfs/dbraw/zinc/83/42/48/353834248.db2.gz QNZBCOHBXNFSLR-VHSXEESVSA-N 0 3 242.344 0.878 20 0 BCADHN OC[C@@H](CNCc1ccns1)[C@@H]1CCOC1 ZINC000639129161 353834362 /nfs/dbraw/zinc/83/43/62/353834362.db2.gz QNZBCOHBXNFSLR-NXEZZACHSA-N 0 3 242.344 0.878 20 0 BCADHN C[C@H](C[C@@H]1CCCC(=O)N1)NCCF ZINC000639132405 353842050 /nfs/dbraw/zinc/84/20/50/353842050.db2.gz AWYPGWQNPFNDPH-BDAKNGLRSA-N 0 3 202.273 0.993 20 0 BCADHN CN1CC=C(CNC(=O)NCC2CC2)CC1 ZINC000343361331 353872241 /nfs/dbraw/zinc/87/22/41/353872241.db2.gz OFQWOKNLCQXJAS-UHFFFAOYSA-N 0 3 223.320 0.958 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343359670 353872659 /nfs/dbraw/zinc/87/26/59/353872659.db2.gz GFERBPLRMWSAHP-NEPJUHHUSA-N 0 3 237.347 0.245 20 0 BCADHN CN(C)CCN(C)C(=O)c1c[nH]c(C2CC2)n1 ZINC000343386812 353875791 /nfs/dbraw/zinc/87/57/91/353875791.db2.gz HKOAZPGOGCBGCF-UHFFFAOYSA-N 0 3 236.319 0.921 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000343411022 353878888 /nfs/dbraw/zinc/87/88/88/353878888.db2.gz CNZJIXCOWPDQCF-KXUCPTDWSA-N 0 3 242.319 0.381 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CCCN1C ZINC000343432354 353884421 /nfs/dbraw/zinc/88/44/21/353884421.db2.gz IVZWEVJOKINILJ-OUAUKWLOSA-N 0 3 242.319 0.001 20 0 BCADHN COCCC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343462431 353896551 /nfs/dbraw/zinc/89/65/51/353896551.db2.gz UFSCNOHAGNMTRO-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NC1CCCC1 ZINC000343437476 353887164 /nfs/dbraw/zinc/88/71/64/353887164.db2.gz IMVFQCUAWZMPHT-VIFPVBQESA-N 0 3 228.292 0.326 20 0 BCADHN COC1CC(N[C@@H]2C[C@H]3CCCCN3C2=O)C1 ZINC000334522908 353890711 /nfs/dbraw/zinc/89/07/11/353890711.db2.gz ZPBOAHNKPCLSMF-RUJICJSRSA-N 0 3 238.331 0.907 20 0 BCADHN Cn1ccnc1[C@@H]1OCC[C@H]1N[C@H]1CCOC1 ZINC000343402404 353894340 /nfs/dbraw/zinc/89/43/40/353894340.db2.gz NZDKWTOULTUQNO-HBNTYKKESA-N 0 3 237.303 0.629 20 0 BCADHN O=C1NC[C@@H]2[C@H]1CCCN2CCC[C@H]1CCO1 ZINC000639133141 353842502 /nfs/dbraw/zinc/84/25/02/353842502.db2.gz ZKHFKUANKDSKEQ-QJPTWQEYSA-N 0 3 238.331 0.766 20 0 BCADHN CC[C@](C)(CN[C@@H]1C(=O)NCC[C@@H]1C)OC ZINC000639137362 353843985 /nfs/dbraw/zinc/84/39/85/353843985.db2.gz XLASEZLOOPZBQG-JBLDHEPKSA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@](C)(CN1C[C@@H]2COC[C@H](C1)O2)OC ZINC000639143174 353850285 /nfs/dbraw/zinc/85/02/85/353850285.db2.gz OPOZKIYVLJLOPE-GRYCIOLGSA-N 0 3 229.320 0.901 20 0 BCADHN OC[C@]1(F)CCN(CCC[C@H]2CCO2)C1 ZINC000639145672 353851756 /nfs/dbraw/zinc/85/17/56/353851756.db2.gz VLMQCJBJXJXLRI-QWRGUYRKSA-N 0 3 217.284 0.962 20 0 BCADHN CO[C@@](C)(CN[C@H](C)C(=O)NCCF)C1CC1 ZINC000639138018 353854897 /nfs/dbraw/zinc/85/48/97/353854897.db2.gz NHTJSFMUQWRVHG-SKDRFNHKSA-N 0 3 246.326 0.865 20 0 BCADHN COCC1(CN[C@H](C)C(=O)NCCF)CCC1 ZINC000639138388 353855418 /nfs/dbraw/zinc/85/54/18/353855418.db2.gz WJSUYUUEODCDTL-SNVBAGLBSA-N 0 3 246.326 0.867 20 0 BCADHN CC[C@@](C)(CN[C@@H](C)C(=O)NCCF)OC ZINC000639138373 353855432 /nfs/dbraw/zinc/85/54/32/353855432.db2.gz WBJCEZRJOSFSHU-ONGXEEELSA-N 0 3 234.315 0.865 20 0 BCADHN CCC[C@H](NC(=O)C1CCN(C)CC1)C(N)=O ZINC000343484472 353905393 /nfs/dbraw/zinc/90/53/93/353905393.db2.gz VTTXYALTFNHEBF-JTQLQIEISA-N 0 3 241.335 0.098 20 0 BCADHN CCC[C@@H](NC(=O)C1CCN(C)CC1)C(N)=O ZINC000343484473 353905566 /nfs/dbraw/zinc/90/55/66/353905566.db2.gz VTTXYALTFNHEBF-SNVBAGLBSA-N 0 3 241.335 0.098 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NC[C@H](C)C(C)C ZINC000343490948 353908036 /nfs/dbraw/zinc/90/80/36/353908036.db2.gz JKNANNYPUKAPHA-UWVGGRQHSA-N 0 3 244.335 0.675 20 0 BCADHN CCCN1CCC[C@@H]1CNC(=O)[C@H](C)O ZINC000343555225 353920118 /nfs/dbraw/zinc/92/01/18/353920118.db2.gz ALEYQVXOHZROAI-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343510238 353923915 /nfs/dbraw/zinc/92/39/15/353923915.db2.gz PBMHCICBFDUEEL-FXPVBKGRSA-N 0 3 241.335 0.110 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(C)CC1 ZINC000334537595 353925050 /nfs/dbraw/zinc/92/50/50/353925050.db2.gz UCAISDKVLUTLNV-CMPLNLGQSA-N 0 3 238.331 0.790 20 0 BCADHN C[C@H]1OCC[C@@H]1C(=O)NCC1=CCN(C)CC1 ZINC000334537600 353925097 /nfs/dbraw/zinc/92/50/97/353925097.db2.gz UCAISDKVLUTLNV-PWSUYJOCSA-N 0 3 238.331 0.790 20 0 BCADHN C[C@@H]1[C@H](NC(=O)Cn2cccn2)CCCN1C ZINC000343528870 353928916 /nfs/dbraw/zinc/92/89/16/353928916.db2.gz MDKKNJYHAZWFNO-GHMZBOCLSA-N 0 3 236.319 0.482 20 0 BCADHN CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[n-]nn1 ZINC000343602686 353930979 /nfs/dbraw/zinc/93/09/79/353930979.db2.gz KKTVKBLADISLHN-SECBINFHSA-N 0 3 237.307 0.409 20 0 BCADHN CCC[N@H+]1CCC[C@@H]1CNC(=O)c1c[n-]nn1 ZINC000343602686 353930982 /nfs/dbraw/zinc/93/09/82/353930982.db2.gz KKTVKBLADISLHN-SECBINFHSA-N 0 3 237.307 0.409 20 0 BCADHN CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn[n-]1 ZINC000343602686 353930983 /nfs/dbraw/zinc/93/09/83/353930983.db2.gz KKTVKBLADISLHN-SECBINFHSA-N 0 3 237.307 0.409 20 0 BCADHN CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn[n-]1 ZINC000343602686 353930986 /nfs/dbraw/zinc/93/09/86/353930986.db2.gz KKTVKBLADISLHN-SECBINFHSA-N 0 3 237.307 0.409 20 0 BCADHN COC(=O)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC000343562318 353934960 /nfs/dbraw/zinc/93/49/60/353934960.db2.gz JVFQGCZXKDUJMC-JTQLQIEISA-N 0 3 242.319 0.348 20 0 BCADHN Cn1cc(C(C)(C)NC(=O)[C@@H]2C[C@@H]2N)cn1 ZINC000577947080 366125930 /nfs/dbraw/zinc/12/59/30/366125930.db2.gz GSHNTZNAKOPNMF-BDAKNGLRSA-N 0 3 222.292 0.119 20 0 BCADHN C[C@H]1COCC[C@@H]1CNCc1ncnn1C ZINC000639162658 353945125 /nfs/dbraw/zinc/94/51/25/353945125.db2.gz AMRATMPBUSRABQ-VHSXEESVSA-N 0 3 224.308 0.577 20 0 BCADHN O=C1NC[C@@H]2[C@@H]1CCCN2CC[C@H]1CCOC1 ZINC000343621115 353946921 /nfs/dbraw/zinc/94/69/21/353946921.db2.gz LRXDDEBHXHXQDO-SDDRHHMPSA-N 0 3 238.331 0.623 20 0 BCADHN C[C@@H]1CSC[C@@H]1NCc1cnc(N)nc1N ZINC000639162039 353948026 /nfs/dbraw/zinc/94/80/26/353948026.db2.gz OUQIZZSRBYHRLS-SVRRBLITSA-N 0 3 239.348 0.143 20 0 BCADHN O=C(CN1CC[C@@H]2CCC[C@H]21)N1CCOCC1 ZINC000334527381 353901088 /nfs/dbraw/zinc/90/10/88/353901088.db2.gz SJBVBXPMCKLFQU-NWDGAFQWSA-N 0 3 238.331 0.720 20 0 BCADHN O=C(CN1CC[C@H]2CCC[C@H]21)N1CCOCC1 ZINC000334527388 353901669 /nfs/dbraw/zinc/90/16/69/353901669.db2.gz SJBVBXPMCKLFQU-VXGBXAGGSA-N 0 3 238.331 0.720 20 0 BCADHN C[C@@H](O)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000334527746 353902341 /nfs/dbraw/zinc/90/23/41/353902341.db2.gz QHMHLJMKMIVHKN-VHSXEESVSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@H](O)CN1CCN(C[C@H](O)C(C)(C)C)CC1 ZINC000343695818 353965729 /nfs/dbraw/zinc/96/57/29/353965729.db2.gz QUFXZOKXHAFPAB-NEPJUHHUSA-N 0 3 244.379 0.392 20 0 BCADHN CCN1CCCN(C[C@H](O)C(C)(C)C)CC1=O ZINC000343695717 353965876 /nfs/dbraw/zinc/96/58/76/353965876.db2.gz QOGNHAGBMHJQJK-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](O)C(F)(F)F ZINC000343736940 353968659 /nfs/dbraw/zinc/96/86/59/353968659.db2.gz WVIBXDIWTAXOIX-ZETCQYMHSA-N 0 3 242.241 0.368 20 0 BCADHN OCCCCCN1CCSC[C@@H]1CO ZINC000343740232 353969754 /nfs/dbraw/zinc/96/97/54/353969754.db2.gz SFUQUDBAAWHSQT-JTQLQIEISA-N 0 3 219.350 0.559 20 0 BCADHN CCN(CCCO)[C@@H](C)C(=O)N(C)C(C)C ZINC000343769711 353983140 /nfs/dbraw/zinc/98/31/40/353983140.db2.gz JYAXYCIAEVJWKT-NSHDSACASA-N 0 3 230.352 0.946 20 0 BCADHN CC(C)OCCN1CCSC[C@@H]1CO ZINC000343714103 353957271 /nfs/dbraw/zinc/95/72/71/353957271.db2.gz HJKRIKGLXZMFKR-JTQLQIEISA-N 0 3 219.350 0.821 20 0 BCADHN C[C@@H]1CC[C@@H]1NCc1cnc(N)nc1N ZINC000639166316 354009450 /nfs/dbraw/zinc/00/94/50/354009450.db2.gz HMMPPONDZILBGZ-SVRRBLITSA-N 0 3 207.281 0.190 20 0 BCADHN CC[C@@H](CCO)CNC(=O)Cc1nc[nH]c1C ZINC000343808088 354010432 /nfs/dbraw/zinc/01/04/32/354010432.db2.gz MFNILXCWQUUDLG-JTQLQIEISA-N 0 3 239.319 0.785 20 0 BCADHN NC(=O)Cc1ccc(CNC2CSC2)cc1 ZINC000309615572 491058179 /nfs/dbraw/zinc/05/81/79/491058179.db2.gz DXNNBPONAOZQSK-UHFFFAOYSA-N 0 3 236.340 0.919 20 0 BCADHN Cc1nnsc1CN(C)CCN(C)C ZINC000639168229 354070406 /nfs/dbraw/zinc/07/04/06/354070406.db2.gz QQPVNBVHXSLADR-UHFFFAOYSA-N 0 3 214.338 0.840 20 0 BCADHN CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C1 ZINC000630083397 363303923 /nfs/dbraw/zinc/30/39/23/363303923.db2.gz NQKRNPPDIXQBNI-MXWKQRLJSA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@](C)(O)CC1 ZINC000230375069 363304649 /nfs/dbraw/zinc/30/46/49/363304649.db2.gz NXZNLFQXNZUSKY-MWLCHTKSSA-N 0 3 214.309 0.487 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CC[C@](F)(CO)C1 ZINC000343973625 354078307 /nfs/dbraw/zinc/07/83/07/354078307.db2.gz PMYLZYUNBAEJJU-GXSJLCMTSA-N 0 3 219.300 0.800 20 0 BCADHN CN(C)CCN(C)Cc1ccc(=O)[nH]c1 ZINC000639167561 354055220 /nfs/dbraw/zinc/05/52/20/354055220.db2.gz IABLDQRWCFUCNY-UHFFFAOYSA-N 0 3 209.293 0.781 20 0 BCADHN C[C@@H](CO)CCCNCc1ccn(C)n1 ZINC000230158267 363298462 /nfs/dbraw/zinc/29/84/62/363298462.db2.gz YPVSNKPMLUUNNG-SNVBAGLBSA-N 0 3 211.309 0.918 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000230244159 363299364 /nfs/dbraw/zinc/29/93/64/363299364.db2.gz 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0 BCADHN CC(=O)NCC[C@H]1CCCN([C@@H](C)C(N)=O)C1 ZINC000347636879 355243460 /nfs/dbraw/zinc/24/34/60/355243460.db2.gz IJXXXLZFQLNIPJ-GXSJLCMTSA-N 0 3 241.335 0.098 20 0 BCADHN CN(Cc1nccs1)C(=O)[C@@H]1C[C@@H]1N ZINC000335280888 355249309 /nfs/dbraw/zinc/24/93/09/355249309.db2.gz KRPMDEKBGDKQDZ-RQJHMYQMSA-N 0 3 211.290 0.449 20 0 BCADHN Cc1ccc(C(=O)NCCN2CCCC2)nn1 ZINC000413068700 191351759 /nfs/dbraw/zinc/35/17/59/191351759.db2.gz YCDXIFRHBBSYTE-UHFFFAOYSA-N 0 3 234.303 0.611 20 0 BCADHN CCC[C@@H](O)[C@@H](CO)Nc1ccnc(CC)c1 ZINC000413500617 191391303 /nfs/dbraw/zinc/39/13/03/191391303.db2.gz KPPHMTPOGVBSRR-CHWSQXEVSA-N 0 3 238.331 1.000 20 0 BCADHN Cc1cccc2nc(CNC(=O)[C@@H]3C[C@@H]3N)cn21 ZINC000335281532 355271788 /nfs/dbraw/zinc/27/17/88/355271788.db2.gz PTHGSOJYADIFSU-MNOVXSKESA-N 0 3 244.298 0.606 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)CO1 ZINC000402064096 355274224 /nfs/dbraw/zinc/27/42/24/355274224.db2.gz GKEQPDCRERSAIO-IWSPIJDZSA-N 0 3 214.309 0.653 20 0 BCADHN CCN1CCN(c2ccc(=O)n(C)n2)[C@@H](C)C1 ZINC000413279285 191365842 /nfs/dbraw/zinc/36/58/42/191365842.db2.gz HNUPDEKNFKGJKO-JTQLQIEISA-N 0 3 236.319 0.311 20 0 BCADHN CO[C@@H]1CCC[C@H]1NC(=O)N1CCCNCC1 ZINC000335287347 355255946 /nfs/dbraw/zinc/25/59/46/355255946.db2.gz ALAFDKHYRNBLHO-GHMZBOCLSA-N 0 3 241.335 0.559 20 0 BCADHN CC[C@H](C(=O)NC(C)(C)COC)N(C)C ZINC000413325787 191368396 /nfs/dbraw/zinc/36/83/96/191368396.db2.gz BFUYCEKESYNWJW-SECBINFHSA-N 0 3 216.325 0.868 20 0 BCADHN CO[C@]1(CN2CC(C(C)(C)O)C2)CCOC1 ZINC000639252561 355288738 /nfs/dbraw/zinc/28/87/38/355288738.db2.gz KQQPNUQPUGWTGL-LBPRGKRZSA-N 0 3 229.320 0.495 20 0 BCADHN CO[C@H](CN1CC(C)(CO)C1)[C@H]1CCOC1 ZINC000639255755 355296476 /nfs/dbraw/zinc/29/64/76/355296476.db2.gz YACYGJZVWWDUFB-WDEREUQCSA-N 0 3 229.320 0.352 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1CS[C@H](C)C1 ZINC000639258979 355307075 /nfs/dbraw/zinc/30/70/75/355307075.db2.gz PIOCMBHCYXERDV-XFWSIPNHSA-N 0 3 217.334 0.884 20 0 BCADHN Cc1ccc(NC(=O)CCOC2CNC2)nc1 ZINC000348986098 355336012 /nfs/dbraw/zinc/33/60/12/355336012.db2.gz BAWNOWFZOHWIGB-UHFFFAOYSA-N 0 3 235.287 0.707 20 0 BCADHN CN(Cc1cccnc1)C(=O)CCOC1CNC1 ZINC000348986093 355336027 /nfs/dbraw/zinc/33/60/27/355336027.db2.gz AZHAYQKQMPOZTG-UHFFFAOYSA-N 0 3 249.314 0.419 20 0 BCADHN O=C1NCCC[C@H]1CNCc1ccns1 ZINC000639260554 355313083 /nfs/dbraw/zinc/31/30/83/355313083.db2.gz YHMYRDJQLBLGRD-QMMMGPOBSA-N 0 3 225.317 0.759 20 0 BCADHN O=C(CCOC1CNC1)Nc1ccc(F)cn1 ZINC000348989040 355336585 /nfs/dbraw/zinc/33/65/85/355336585.db2.gz IVEPLAKBLYGZIR-UHFFFAOYSA-N 0 3 239.250 0.538 20 0 BCADHN CO[C@@H]1CN(CCC[C@H]2CCO2)C[C@H]1O ZINC000639248079 355277688 /nfs/dbraw/zinc/27/76/88/355277688.db2.gz NZVMJGFLHQCSJK-HBNTYKKESA-N 0 3 215.293 0.247 20 0 BCADHN CO[C@H](CN1CC(CCO)C1)C1CCOCC1 ZINC000639249401 355278585 /nfs/dbraw/zinc/27/85/85/355278585.db2.gz AGRBSNXZOCOEOW-CYBMUJFWSA-N 0 3 243.347 0.742 20 0 BCADHN CCNC(=O)C1CN(C[C@H](OC)C2CC2)C1 ZINC000639251069 355282020 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/nfs/dbraw/zinc/39/28/49/355392849.db2.gz OULBTGSHZPHHDA-JQWIXIFHSA-N 0 3 238.331 0.718 20 0 BCADHN Nc1ncc(CN[C@@H]2CC[C@H]3C[C@H]3C2)c(N)n1 ZINC000639286162 355393391 /nfs/dbraw/zinc/39/33/91/355393391.db2.gz ARVYUWZINUOLNX-OYNCUSHFSA-N 0 3 233.319 0.580 20 0 BCADHN CN(C(=O)c1cncn1C)[C@H]1CCCN(C)C1 ZINC000335757604 355393940 /nfs/dbraw/zinc/39/39/40/355393940.db2.gz ZLQFKFSQBFPJMT-JTQLQIEISA-N 0 3 236.319 0.586 20 0 BCADHN C[C@H]1CN(C)CCN1CCCc1cncn1C ZINC000583507554 355343926 /nfs/dbraw/zinc/34/39/26/355343926.db2.gz BKASTKRTPRPBGH-LBPRGKRZSA-N 0 3 236.363 0.989 20 0 BCADHN CC[C@@]1(C)CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC000335740761 355390860 /nfs/dbraw/zinc/39/08/60/355390860.db2.gz JVQKQPDZNAKGBQ-KWQFWETISA-N 0 3 227.308 0.692 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCOC[C@@H](C)C1 ZINC000335982415 134038083 /nfs/dbraw/zinc/03/80/83/134038083.db2.gz XGXJJWDYMFQTMK-QWRGUYRKSA-N 0 3 243.351 0.614 20 0 BCADHN COCCNCCNC(=O)[C@H]1CC=CCC1 ZINC000216327425 355354433 /nfs/dbraw/zinc/35/44/33/355354433.db2.gz AGWROOREOPHAMO-NSHDSACASA-N 0 3 226.320 0.695 20 0 BCADHN C[C@@H]1CCCN(c2nc(N)nc(N)n2)CC1 ZINC000623902820 355356633 /nfs/dbraw/zinc/35/66/33/355356633.db2.gz QQKFIMRUSRWDFT-SSDOTTSWSA-N 0 3 222.296 0.323 20 0 BCADHN CN(C)CCOCCNC(=O)CC(F)(F)F ZINC000349719161 355418585 /nfs/dbraw/zinc/41/85/85/355418585.db2.gz APYDTZCQBOOSSM-UHFFFAOYSA-N 0 3 242.241 0.633 20 0 BCADHN CN1CCN(C[C@H]2CCCOC2)C(C)(C)C1=O ZINC000335789970 355441413 /nfs/dbraw/zinc/44/14/13/355441413.db2.gz CXJHPTGRMUFBGA-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@H](C(=O)NC[C@H]1CCCN1C)C1CC1 ZINC000349856025 355499145 /nfs/dbraw/zinc/49/91/45/355499145.db2.gz YIBBSQOEWRBYJY-MNOVXSKESA-N 0 3 226.320 0.622 20 0 BCADHN CCCN1CCC[C@H](N2CCNCC2=O)C1 ZINC000335812462 355499171 /nfs/dbraw/zinc/49/91/71/355499171.db2.gz UGUAHCAZFMEEDJ-NSHDSACASA-N 0 3 225.336 0.293 20 0 BCADHN C[C@@H](O)[C@@H]1CCCCN1CC(=O)N1CCC1 ZINC000335798733 355457430 /nfs/dbraw/zinc/45/74/30/355457430.db2.gz NPNJXCJJJUVWHC-MNOVXSKESA-N 0 3 226.320 0.454 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@H](C(C)C)N(C)C ZINC000349933847 355530648 /nfs/dbraw/zinc/53/06/48/355530648.db2.gz JXRINYUJQQMXDD-NSHDSACASA-N 0 3 238.335 0.921 20 0 BCADHN C[C@@H](CC1CCOCC1)CN(C)CC(N)=O ZINC000349966530 355545965 /nfs/dbraw/zinc/54/59/65/355545965.db2.gz MTZZIEMGUUQNPH-JTQLQIEISA-N 0 3 228.336 0.856 20 0 BCADHN CC(C)[C@@H](O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000349887194 355519129 /nfs/dbraw/zinc/51/91/29/355519129.db2.gz CEHGZPOQPYYIHA-NWDGAFQWSA-N 0 3 242.363 0.851 20 0 BCADHN CN1CC[C@](O)(CNC(=O)C2(C)CCC2)C1 ZINC000335851510 355594692 /nfs/dbraw/zinc/59/46/92/355594692.db2.gz QRZWKMKCQASBAU-LBPRGKRZSA-N 0 3 226.320 0.359 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)C2(C)CCC2)C1 ZINC000335851509 355594978 /nfs/dbraw/zinc/59/49/78/355594978.db2.gz QRZWKMKCQASBAU-GFCCVEGCSA-N 0 3 226.320 0.359 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000335851816 355595634 /nfs/dbraw/zinc/59/56/34/355595634.db2.gz GVWIYNICULYTBA-VXGBXAGGSA-N 0 3 238.331 0.718 20 0 BCADHN Cc1ccccc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000335851562 355595695 /nfs/dbraw/zinc/59/56/95/355595695.db2.gz WQPMNTALOLVKQV-AWEZNQCLSA-N 0 3 248.326 0.791 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H](CC)[C@H](O)C1)N(C)C ZINC000340775807 191687682 /nfs/dbraw/zinc/68/76/82/191687682.db2.gz NSKWAGTXKAALDR-OUAUKWLOSA-N 0 3 228.336 0.556 20 0 BCADHN O[C@H]1CN(CCn2ccnc2)CC12CC2 ZINC000335858776 355603951 /nfs/dbraw/zinc/60/39/51/355603951.db2.gz KHODPCZYXCZNGR-JTQLQIEISA-N 0 3 207.277 0.340 20 0 BCADHN CCc1ccc(NC(=O)C(=O)N(C)CCN)cc1 ZINC000415880115 191702704 /nfs/dbraw/zinc/70/27/04/191702704.db2.gz RBFZFDLIOFTGKV-UHFFFAOYSA-N 0 3 249.314 0.605 20 0 BCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CC(C)(C)O ZINC000335837006 355564563 /nfs/dbraw/zinc/56/45/63/355564563.db2.gz UHDKNIALXCFOLA-MNOVXSKESA-N 0 3 242.363 0.946 20 0 BCADHN CCC[C@@H](NC(C)C)C(=O)N1CCNC(=O)C1 ZINC000349995336 355572309 /nfs/dbraw/zinc/57/23/09/355572309.db2.gz UAAWWISVTCIIFW-SNVBAGLBSA-N 0 3 241.335 0.112 20 0 BCADHN CN(C)C1(CNC(=O)N2CC(F)C2)CCC1 ZINC000335874926 355643309 /nfs/dbraw/zinc/64/33/09/355643309.db2.gz JUPZRUJKIKVJAJ-UHFFFAOYSA-N 0 3 229.299 0.834 20 0 BCADHN CCCNC(=O)CCCN1CCN(C)C[C@H]1C ZINC000583572533 355655818 /nfs/dbraw/zinc/65/58/18/355655818.db2.gz NTJJRQQZULQUJX-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccn(C(C)C)n1 ZINC000583574687 355656873 /nfs/dbraw/zinc/65/68/73/355656873.db2.gz GTDBQGXSMWIVHO-VIFPVBQESA-N 0 3 224.308 0.688 20 0 BCADHN CC[C@](C)(CN[C@H]1CCNC1=O)OC ZINC000639304300 355659409 /nfs/dbraw/zinc/65/94/09/355659409.db2.gz XJRXHIYIUCQQAZ-WCBMZHEXSA-N 0 3 200.282 0.280 20 0 BCADHN CO[C@@H](CNC/C=C\CO)C1CCOCC1 ZINC000639308294 355663478 /nfs/dbraw/zinc/66/34/78/355663478.db2.gz LRTFVJYVKCOZRP-DLGQBQFBSA-N 0 3 229.320 0.566 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@H](C)[C@H]1CO ZINC000336000292 134046573 /nfs/dbraw/zinc/04/65/73/134046573.db2.gz MKUJPRRTTOACRD-JOYOIKCWSA-N 0 3 223.320 0.931 20 0 BCADHN CO[C@H](CNC/C=C/CO)C1CCOCC1 ZINC000639308296 355664095 /nfs/dbraw/zinc/66/40/95/355664095.db2.gz LRTFVJYVKCOZRP-QAVQXKDTSA-N 0 3 229.320 0.566 20 0 BCADHN NC(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000335617421 181203216 /nfs/dbraw/zinc/20/32/16/181203216.db2.gz IIZPVCCCSPYPCJ-MRVPVSSYSA-N 0 3 206.245 0.984 20 0 BCADHN CCN1CCC(N(C)C(=O)[C@@H](C)OC)CC1 ZINC000126485419 324699449 /nfs/dbraw/zinc/69/94/49/324699449.db2.gz GDJMQYRTMUMQSE-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN Cn1cnc(CCCNCc2ccns2)n1 ZINC000639300171 355622001 /nfs/dbraw/zinc/62/20/01/355622001.db2.gz YIVLHRDIQVLAEB-UHFFFAOYSA-N 0 3 237.332 0.994 20 0 BCADHN CC(C)N(C(=O)[C@H]1CCN(C)C1)[C@@H]1CCOC1 ZINC000335861749 355625249 /nfs/dbraw/zinc/62/52/49/355625249.db2.gz CEVNTFVZLWOTLB-NWDGAFQWSA-N 0 3 240.347 0.964 20 0 BCADHN Cn1nnc2c1CC[C@H](NCc1ccns1)C2 ZINC000639299603 355629373 /nfs/dbraw/zinc/62/93/73/355629373.db2.gz SXIOYDKJIMENEW-QMMMGPOBSA-N 0 3 249.343 0.919 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)Cn1ccccc1=O ZINC000335894695 355689052 /nfs/dbraw/zinc/68/90/52/355689052.db2.gz WUAMRSLXESKCNF-WDEREUQCSA-N 0 3 249.314 0.057 20 0 BCADHN C[C@@H]1NCCN(C(=O)Cn2ccccc2=O)[C@H]1C ZINC000335894694 355689291 /nfs/dbraw/zinc/68/92/91/355689291.db2.gz WUAMRSLXESKCNF-QWRGUYRKSA-N 0 3 249.314 0.057 20 0 BCADHN CO[C@@H](C)c1nc(CNC(=O)[C@H](C)N)cs1 ZINC000353244739 355710147 /nfs/dbraw/zinc/71/01/47/355710147.db2.gz OSYXEGYIDKPSLD-BQBZGAKWSA-N 0 3 243.332 0.814 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@H](O)C1)N(CC)CC ZINC000350513366 355715308 /nfs/dbraw/zinc/71/53/08/355715308.db2.gz PDERZPOPQBZDGI-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN NC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2N)C1 ZINC000331367600 181205595 /nfs/dbraw/zinc/20/55/95/181205595.db2.gz DVPZWFDJIUJHFG-BIIVOSGPSA-N 0 3 211.265 0.107 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H](O)C1 ZINC000350635098 355735531 /nfs/dbraw/zinc/73/55/31/355735531.db2.gz YODMWZWKMJINLH-MXWKQRLJSA-N 0 3 226.320 0.452 20 0 BCADHN CN1CCN(C[C@@H]2CCSC2)[C@@H](CO)C1 ZINC000639332996 355760425 /nfs/dbraw/zinc/76/04/25/355760425.db2.gz DZWFTEXLYXBSDZ-WDEREUQCSA-N 0 3 230.377 0.348 20 0 BCADHN CO[C@H](CN1CCN(C)C[C@@H]1CO)C1CC1 ZINC000639333249 355762235 /nfs/dbraw/zinc/76/22/35/355762235.db2.gz GQUWFRSCFACMQW-VXGBXAGGSA-N 0 3 228.336 0.020 20 0 BCADHN CC[C@](C)(CN1CCN(C)C[C@@H]1CO)OC ZINC000639334767 355764864 /nfs/dbraw/zinc/76/48/64/355764864.db2.gz VYWSWLPZDVSBRC-VXGBXAGGSA-N 0 3 230.352 0.410 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@@H](N)C1CCC1 ZINC000399156141 355770546 /nfs/dbraw/zinc/77/05/46/355770546.db2.gz DDTSSQZXICKEDX-WPRPVWTQSA-N 0 3 214.309 0.343 20 0 BCADHN CN(Cc1cnc(N)nc1N)C[C@H]1CC1(C)C ZINC000639336360 355771494 /nfs/dbraw/zinc/77/14/94/355771494.db2.gz BVJTWACKOFCABH-SECBINFHSA-N 0 3 235.335 0.780 20 0 BCADHN CC[C@@H](C)[C@@H](CN[C@H]1CCNC1=O)OC ZINC000639336342 355771566 /nfs/dbraw/zinc/77/15/66/355771566.db2.gz BQEXMSYVQFZSEH-KXUCPTDWSA-N 0 3 214.309 0.526 20 0 BCADHN CC1(C)C[C@@]1(C)NCc1cnc(N)nc1N ZINC000639326630 355732179 /nfs/dbraw/zinc/73/21/79/355732179.db2.gz CUJBEVJWARAMIO-LLVKDONJSA-N 0 3 221.308 0.580 20 0 BCADHN C[C@@H]1C[C@@H](CN2CCN(C)C[C@@H]2CO)CCO1 ZINC000639338377 355779226 /nfs/dbraw/zinc/77/92/26/355779226.db2.gz ZHGXCNKCRQAHNS-FRRDWIJNSA-N 0 3 242.363 0.410 20 0 BCADHN C[C@@H](NCc1cn[nH]n1)[C@H]1CC1(F)F ZINC000639339716 355781192 /nfs/dbraw/zinc/78/11/92/355781192.db2.gz ATNAHKSUVJBLKI-IYSWYEEDSA-N 0 3 202.208 0.938 20 0 BCADHN C[C@@H](NCc1c[nH]nn1)[C@H]1CC1(F)F ZINC000639339716 355781196 /nfs/dbraw/zinc/78/11/96/355781196.db2.gz ATNAHKSUVJBLKI-IYSWYEEDSA-N 0 3 202.208 0.938 20 0 BCADHN COCC1(CNCc2cn[nH]n2)CCC1 ZINC000639339891 355782114 /nfs/dbraw/zinc/78/21/14/355782114.db2.gz BXTCAZCXTSOONW-UHFFFAOYSA-N 0 3 210.281 0.711 20 0 BCADHN c1cnn(C2CC(NCc3cn[nH]n3)C2)c1 ZINC000639341297 355782951 /nfs/dbraw/zinc/78/29/51/355782951.db2.gz LLPUMEGCFOKCNN-UHFFFAOYSA-N 0 3 218.264 0.495 20 0 BCADHN CCn1nncc1CN[C@@H]1CCCNC(=O)C1 ZINC000639344197 355787700 /nfs/dbraw/zinc/78/77/00/355787700.db2.gz 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0.411 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@@H](O)CC[C@H]1C ZINC000399231666 355852403 /nfs/dbraw/zinc/85/24/03/355852403.db2.gz KBKISSJQASSUGE-GRYCIOLGSA-N 0 3 231.336 0.618 20 0 BCADHN C[C@@H](NC(=O)C(N)C(F)(F)F)c1cn[nH]c1 ZINC000584349362 355854190 /nfs/dbraw/zinc/85/41/90/355854190.db2.gz QESROEOQAXDWAX-INEUFUBQSA-N 0 3 236.197 0.477 20 0 BCADHN CC(C)CC[C@H](O)CN1CC[C@H](CO)[C@H](O)C1 ZINC000583622558 355854208 /nfs/dbraw/zinc/85/42/08/355854208.db2.gz NVQFNUALBGPNED-FRRDWIJNSA-N 0 3 245.363 0.459 20 0 BCADHN CN(CC1(C)COC1)[C@@H]1CCCCNC1=O ZINC000608561753 355859199 /nfs/dbraw/zinc/85/91/99/355859199.db2.gz FHASHXVVLWDONH-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](CNC(=O)c1cnn(CCF)c1)N(C)C ZINC000350898415 355869795 /nfs/dbraw/zinc/86/97/95/355869795.db2.gz VXCNXVVZUYGWQU-VIFPVBQESA-N 0 3 242.298 0.533 20 0 BCADHN COc1ccc(CN(CCO)CCO)cc1C ZINC000628369391 355870573 /nfs/dbraw/zinc/87/05/73/355870573.db2.gz ODVDFXPELOZOPN-UHFFFAOYSA-N 0 3 239.315 0.790 20 0 BCADHN 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ZINC000613268110 355940701 /nfs/dbraw/zinc/94/07/01/355940701.db2.gz ZEASSMWFHHRBER-UHFFFAOYSA-N 0 3 237.347 0.459 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)N(C)CCOC ZINC000608698426 355926222 /nfs/dbraw/zinc/92/62/22/355926222.db2.gz VASDEATWMBFKHG-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN CC[C@]1(CO)CCCN1C(=O)[C@@H]1CCN(C)C1 ZINC000336043103 134062903 /nfs/dbraw/zinc/06/29/03/134062903.db2.gz CPHFSHQTSSHOBB-DGCLKSJQSA-N 0 3 240.347 0.702 20 0 BCADHN CC(C)[C@@H]1C[C@@H](N(CCO)CCO)CS1 ZINC000628370078 355879040 /nfs/dbraw/zinc/87/90/40/355879040.db2.gz VNSLPVSCTAPMQD-MNOVXSKESA-N 0 3 233.377 0.803 20 0 BCADHN CC(C)[C@H]1C[C@@H](N(CCO)CCO)CS1 ZINC000628370077 355879097 /nfs/dbraw/zinc/87/90/97/355879097.db2.gz VNSLPVSCTAPMQD-GHMZBOCLSA-N 0 3 233.377 0.803 20 0 BCADHN NC(=O)C1CCN(CCc2ccccn2)CC1 ZINC000121030591 181216746 /nfs/dbraw/zinc/21/67/46/181216746.db2.gz MUMLFSHQYRASBT-UHFFFAOYSA-N 0 3 233.315 0.821 20 0 BCADHN CC(C)OC[C@@H](C)N(CCO)CCO ZINC000628370201 355880107 /nfs/dbraw/zinc/88/01/07/355880107.db2.gz DFNHSWBLALTUGJ-SNVBAGLBSA-N 0 3 205.298 0.087 20 0 BCADHN CN1CCC[C@H](NC(=O)N[C@H]2CCSC2)C1 ZINC000608648272 355888015 /nfs/dbraw/zinc/88/80/15/355888015.db2.gz QRGBIQVOHLOGHJ-UWVGGRQHSA-N 0 3 243.376 0.885 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000367122483 355995503 /nfs/dbraw/zinc/99/55/03/355995503.db2.gz BIGSNSBAJURLRS-WTQORWENSA-N 0 3 238.331 0.788 20 0 BCADHN CCN1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000351497713 356004076 /nfs/dbraw/zinc/00/40/76/356004076.db2.gz GTPNKWCWWSQSEL-LBPRGKRZSA-N 0 3 241.379 0.737 20 0 BCADHN CN(C[C@@H]1CCCC[C@H]1O)[C@@H]1CCCNC1=O ZINC000351151903 355955114 /nfs/dbraw/zinc/95/51/14/355955114.db2.gz XVNSYGBBXGKWIA-QJPTWQEYSA-N 0 3 240.347 0.748 20 0 BCADHN NC(=O)CCN1CC(COc2ccccc2)C1 ZINC000287218543 181223070 /nfs/dbraw/zinc/22/30/70/181223070.db2.gz MYECEQHBQCXUPD-UHFFFAOYSA-N 0 3 234.299 0.873 20 0 BCADHN CO[C@@H](CNC1CN(c2ccncn2)C1)C1CC1 ZINC000639390704 356031093 /nfs/dbraw/zinc/03/10/93/356031093.db2.gz KEMISPCGGXMUAQ-LBPRGKRZSA-N 0 3 248.330 0.680 20 0 BCADHN C[C@@H](C(=O)N1CCN[C@@H](C)[C@@H]1C)n1cncn1 ZINC000379463894 358499968 /nfs/dbraw/zinc/49/99/68/358499968.db2.gz FXJFOFLRLCTFQH-GUBZILKMSA-N 0 3 237.307 0.048 20 0 BCADHN C[C@@H](C(=O)N1CCN[C@@H](C)[C@H]1C)n1cncn1 ZINC000379463892 358500009 /nfs/dbraw/zinc/50/00/09/358500009.db2.gz FXJFOFLRLCTFQH-AEJSXWLSSA-N 0 3 237.307 0.048 20 0 BCADHN C[C@@H]1CC[C@@H](N(CCO)CC(=O)N(C)C)C1 ZINC000351644944 356042460 /nfs/dbraw/zinc/04/24/60/356042460.db2.gz BLHBIGHYSMXWDT-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN NC(=O)CN[C@H]1CCc2ccccc2OC1 ZINC000367217499 181236506 /nfs/dbraw/zinc/23/65/06/181236506.db2.gz AJCBLASXQYBPCB-JTQLQIEISA-N 0 3 220.272 0.455 20 0 BCADHN NC(=O)CN[C@@H](CCO)C1CCCCC1 ZINC000181505860 181236773 /nfs/dbraw/zinc/23/67/73/181236773.db2.gz RXLSZJYHVWOPFT-JTQLQIEISA-N 0 3 214.309 0.393 20 0 BCADHN NC(=O)CCN[C@@H]1CCc2c1cccc2O ZINC000036852794 181225396 /nfs/dbraw/zinc/22/53/96/181225396.db2.gz WQNOHMBYWLQTBW-SNVBAGLBSA-N 0 3 220.272 0.845 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC[C@@H]1C1CCC1 ZINC000353141647 356008818 /nfs/dbraw/zinc/00/88/18/356008818.db2.gz GOLWUBCRSAVKGI-MNOVXSKESA-N 0 3 226.320 0.751 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCc1nccs1 ZINC000351538337 356011394 /nfs/dbraw/zinc/01/13/94/356011394.db2.gz MVNBIJXORHPVPE-MRVPVSSYSA-N 0 3 242.348 0.892 20 0 BCADHN CCOC(=O)COCCN[C@@H](C)c1cn[nH]c1 ZINC000351595523 356026555 /nfs/dbraw/zinc/02/65/55/356026555.db2.gz RAQBTHPZPWILRA-VIFPVBQESA-N 0 3 241.291 0.640 20 0 BCADHN CN(CCc1ccncc1)[C@@]1(CO)CCOC1 ZINC000351611078 356027752 /nfs/dbraw/zinc/02/77/52/356027752.db2.gz PXWDWQWGZIDSSO-CYBMUJFWSA-N 0 3 236.315 0.707 20 0 BCADHN NC(=O)CN1CCN(C2CCCC2)CC1 ZINC000045753632 181233464 /nfs/dbraw/zinc/23/34/64/181233464.db2.gz RCWMMGSIOFFLRT-UHFFFAOYSA-N 0 3 211.309 0.032 20 0 BCADHN COC1CCN(CCN2CCO[C@H](C)C2)CC1 ZINC000351616911 356029498 /nfs/dbraw/zinc/02/94/98/356029498.db2.gz BKFYPMFCVPCYDZ-GFCCVEGCSA-N 0 3 242.363 0.818 20 0 BCADHN COc1nccc(CN[C@H]2CCN(C3CC3)C2)n1 ZINC000395252435 356106460 /nfs/dbraw/zinc/10/64/60/356106460.db2.gz ZBPOILQONBLIJP-NSHDSACASA-N 0 3 248.330 0.812 20 0 BCADHN CCN(C(=O)c1ccncn1)[C@H]1CCN(C)C1 ZINC000617552574 356107960 /nfs/dbraw/zinc/10/79/60/356107960.db2.gz QEIDATAITBPTAQ-JTQLQIEISA-N 0 3 234.303 0.643 20 0 BCADHN CCN(C(=O)CCOC)[C@H]1CCN(C)C1 ZINC000617555861 356112721 /nfs/dbraw/zinc/11/27/21/356112721.db2.gz DSWLVDXPMASPDU-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CCO[C@H](C)C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000617557691 356115359 /nfs/dbraw/zinc/11/53/59/356115359.db2.gz QODVEHNNLODUPL-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CCN(C(=O)COC(C)C)[C@H]1CCN(C)C1 ZINC000617556480 356117921 /nfs/dbraw/zinc/11/79/21/356117921.db2.gz RENFAKTYWHMKHZ-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN CCN(C(=O)c1ccc(=O)[nH]c1)[C@@H]1CCN(C)C1 ZINC000617561365 356118404 /nfs/dbraw/zinc/11/84/04/356118404.db2.gz JTYNFLRLFWCSLD-LLVKDONJSA-N 0 3 249.314 0.953 20 0 BCADHN C[C@H](F)CCN1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000351882162 356119901 /nfs/dbraw/zinc/11/99/01/356119901.db2.gz PFBKXLYJQWSDKZ-DCAQKATOSA-N 0 3 216.300 0.749 20 0 BCADHN C[C@@H](F)CCN(C)C[C@@H](O)CN1CCOCC1 ZINC000351882146 356120253 /nfs/dbraw/zinc/12/02/53/356120253.db2.gz PBIOUDSPLYNVFX-VXGBXAGGSA-N 0 3 248.342 0.359 20 0 BCADHN Cc1ncc(CN[C@@H]2CCCC[C@H]2C(N)=O)cn1 ZINC000351733655 356073948 /nfs/dbraw/zinc/07/39/48/356073948.db2.gz COIISLQADBVGQP-VXGBXAGGSA-N 0 3 248.330 0.919 20 0 BCADHN CC[C@H](C(=O)N(C)CCCCO)N(C)C ZINC000351744127 356079229 /nfs/dbraw/zinc/07/92/29/356079229.db2.gz KEJKJGVAXVTPFO-SNVBAGLBSA-N 0 3 216.325 0.558 20 0 BCADHN CC[C@H]1CN(Cc2ccnc(C)n2)C[C@H]1O ZINC000351796759 356081082 /nfs/dbraw/zinc/08/10/82/356081082.db2.gz YGWCWWOINMJHKD-CMPLNLGQSA-N 0 3 221.304 0.988 20 0 BCADHN CN(Cc1cn(C)nn1)[C@@H]1CN2CCC1CC2 ZINC000639396261 356097281 /nfs/dbraw/zinc/09/72/81/356097281.db2.gz IUAXSTPVYASAKV-GFCCVEGCSA-N 0 3 235.335 0.341 20 0 BCADHN CN(Cc1cnnn1C)[C@H]1CN2CCC1CC2 ZINC000639396130 356097447 /nfs/dbraw/zinc/09/74/47/356097447.db2.gz IBGVWNUKZPFRPL-LBPRGKRZSA-N 0 3 235.335 0.341 20 0 BCADHN Cc1ncc(CN(CCO)CC2CC2)cn1 ZINC000351865186 356101636 /nfs/dbraw/zinc/10/16/36/356101636.db2.gz ZYXLNMWXADDUIF-UHFFFAOYSA-N 0 3 221.304 0.989 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CCCCF ZINC000351889792 356153350 /nfs/dbraw/zinc/15/33/50/356153350.db2.gz CJZJPFPOEKTTNX-VIFPVBQESA-N 0 3 202.273 0.947 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@H]1CCCCO1 ZINC000351892355 356159329 /nfs/dbraw/zinc/15/93/29/356159329.db2.gz ZFWFXCLYEABUBQ-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H](CF)NC(=O)NC1CCN(C)CC1 ZINC000335916713 356159402 /nfs/dbraw/zinc/15/94/02/356159402.db2.gz JUDYEHUZPNUOMH-MRVPVSSYSA-N 0 3 217.288 0.738 20 0 BCADHN NC(=O)NC(=O)CN1CCC[C@H]1C1CCCC1 ZINC000048659370 181254501 /nfs/dbraw/zinc/25/45/01/181254501.db2.gz LBHLMPVOPQRSCF-JTQLQIEISA-N 0 3 239.319 0.836 20 0 BCADHN NC(=O)NC(=O)CN1CCCC2(CCCC2)C1 ZINC000336459962 181254621 /nfs/dbraw/zinc/25/46/21/181254621.db2.gz YDIWZOFWTOVUOQ-UHFFFAOYSA-N 0 3 239.319 0.838 20 0 BCADHN C[C@H]1NC(=O)N(CCN2CC[C@H](C)C2)C1=O ZINC000336092277 134078697 /nfs/dbraw/zinc/07/86/97/134078697.db2.gz FMXSWKMAEVIHPQ-DTWKUNHWSA-N 0 3 225.292 0.269 20 0 BCADHN Cn1cncc1CN1CC[C@@](O)(C2CC2)C1 ZINC000336091924 134078983 /nfs/dbraw/zinc/07/89/83/134078983.db2.gz QYUCAYFAJYSJIK-LBPRGKRZSA-N 0 3 221.304 0.767 20 0 BCADHN C[C@H]1C[C@H]1CN1CCC(S(N)(=O)=O)CC1 ZINC000336096107 134080305 /nfs/dbraw/zinc/08/03/05/134080305.db2.gz ITBQWICPHFTNTP-IUCAKERBSA-N 0 3 232.349 0.395 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](C)[C@@H](O)C1)N(C)C ZINC000351887365 356146426 /nfs/dbraw/zinc/14/64/26/356146426.db2.gz BJGLDCWWRMQASG-BBBLOLIVSA-N 0 3 214.309 0.166 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@H]1CCOC1 ZINC000351887164 356147012 /nfs/dbraw/zinc/14/70/12/356147012.db2.gz KXFPANNRAJEARZ-NXEZZACHSA-N 0 3 229.324 0.272 20 0 BCADHN CC[C@H](CNC(=O)N1C[C@H](C)NC[C@H]1C)OC ZINC000418231042 192001508 /nfs/dbraw/zinc/00/15/08/192001508.db2.gz FOLGCVHOBZKOPF-HBNTYKKESA-N 0 3 243.351 0.803 20 0 BCADHN C[C@H]1OCC[C@H]1CN(C)CC(=O)N1CCCC1 ZINC000639433470 356212705 /nfs/dbraw/zinc/21/27/05/356212705.db2.gz UVZFWWSMSHCJSQ-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCNC(=O)CN(CC)C[C@H]1CCO[C@@H]1C ZINC000639439981 356216305 /nfs/dbraw/zinc/21/63/05/356216305.db2.gz ABUPVPMILQYUSU-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@H](CO)[C@@H]1C ZINC000336107560 134082801 /nfs/dbraw/zinc/08/28/01/134082801.db2.gz SRCIRYJSWYSFMY-VHSXEESVSA-N 0 3 209.293 0.921 20 0 BCADHN CC[C@@H](C)CCNC(=O)C(C)S(C)(=O)=O ZINC000617634353 356218310 /nfs/dbraw/zinc/21/83/10/356218310.db2.gz VLPULPIMCUQOCT-RKDXNWHRSA-N 0 3 235.349 0.972 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCCC[C@@H]1C(N)=O ZINC000639444891 356223892 /nfs/dbraw/zinc/22/38/92/356223892.db2.gz GMBAXJSKARQEDT-HBNTYKKESA-N 0 3 226.320 0.751 20 0 BCADHN C[C@H]1OCC[C@H]1CN1CCN(CCO)CC1 ZINC000639444154 356224901 /nfs/dbraw/zinc/22/49/01/356224901.db2.gz HXTZRUCFJZMYME-NEPJUHHUSA-N 0 3 228.336 0.021 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCN(CCO)CC1 ZINC000639444155 356225582 /nfs/dbraw/zinc/22/55/82/356225582.db2.gz HXTZRUCFJZMYME-NWDGAFQWSA-N 0 3 228.336 0.021 20 0 BCADHN CCCCN(CC(N)=O)C[C@@H]1CCO[C@@H]1C ZINC000639452400 356232804 /nfs/dbraw/zinc/23/28/04/356232804.db2.gz AZLQRMSTLZJNAF-MNOVXSKESA-N 0 3 228.336 0.999 20 0 BCADHN CN(C[C@@H]1CCCO1)C[C@@H]1CCc2ncnn21 ZINC000639452753 356233331 /nfs/dbraw/zinc/23/33/31/356233331.db2.gz BLSQEAXJFLEVSA-QWRGUYRKSA-N 0 3 236.319 0.876 20 0 BCADHN Cn1cncc1CCN1CCCOCC1 ZINC000639465457 356251898 /nfs/dbraw/zinc/25/18/98/356251898.db2.gz KSTOHXGJBSRENM-UHFFFAOYSA-N 0 3 209.293 0.685 20 0 BCADHN c1nc2n(n1)[C@@H](CN1CCCOCC1)CC2 ZINC000639466670 356252766 /nfs/dbraw/zinc/25/27/66/356252766.db2.gz ZALBDPIXBLAAOS-SNVBAGLBSA-N 0 3 222.292 0.488 20 0 BCADHN COCc1nc(C)cc(N2CCNC[C@@H]2C)n1 ZINC000420219261 192193649 /nfs/dbraw/zinc/19/36/49/192193649.db2.gz PVCAUIIPFKCAJZ-JTQLQIEISA-N 0 3 236.319 0.730 20 0 BCADHN COCCN(CCO)C[C@H]1CC(C)(C)CO1 ZINC000639472329 356262765 /nfs/dbraw/zinc/26/27/65/356262765.db2.gz LLBLYYZQYHGAPC-LLVKDONJSA-N 0 3 231.336 0.742 20 0 BCADHN COc1nc(C)nc(N2CCN[C@H](C)C2)c1C ZINC000420243613 192184029 /nfs/dbraw/zinc/18/40/29/192184029.db2.gz QOJKXRQJZAMHDL-MRVPVSSYSA-N 0 3 236.319 0.900 20 0 BCADHN Cc1nc2ccc(N3CCN[C@@H](C)C3)nn2n1 ZINC000420241646 192184453 /nfs/dbraw/zinc/18/44/53/192184453.db2.gz SQOFZUIJIVEFEM-QMMMGPOBSA-N 0 3 232.291 0.231 20 0 BCADHN C[C@@H]1CN(c2ncnc3n[nH]cc32)CCN1 ZINC000420242391 192184954 /nfs/dbraw/zinc/18/49/54/192184954.db2.gz UUDZANFQDWYWBU-SSDOTTSWSA-N 0 3 218.264 0.151 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NC/C=C/CO ZINC000617688093 356278181 /nfs/dbraw/zinc/27/81/81/356278181.db2.gz NBSSCGGMFUVHGJ-VMDCKITASA-N 0 3 226.320 0.524 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC/C=C\CO ZINC000617688092 356278426 /nfs/dbraw/zinc/27/84/26/356278426.db2.gz NBSSCGGMFUVHGJ-ANDSXOESSA-N 0 3 226.320 0.524 20 0 BCADHN C[C@@H](C(=O)NC/C=C/CO)N1CCCCCC1 ZINC000617688647 356279430 /nfs/dbraw/zinc/27/94/30/356279430.db2.gz XXNODGKBFCKFSV-NTYUQYKDSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@H](C(=O)NC/C=C/CO)N1CCCCCC1 ZINC000617688648 356279594 /nfs/dbraw/zinc/27/95/94/356279594.db2.gz XXNODGKBFCKFSV-RPTYSRGTSA-N 0 3 240.347 0.916 20 0 BCADHN Cc1cc(N2CCNC[C@](C)(F)C2)ncn1 ZINC000420255437 192187886 /nfs/dbraw/zinc/18/78/86/192187886.db2.gz BGAQYMIQEJZYAW-NSHDSACASA-N 0 3 224.283 0.923 20 0 BCADHN NC(=O)CC1CCN(CCc2cnccn2)CC1 ZINC000639454079 356238083 /nfs/dbraw/zinc/23/80/83/356238083.db2.gz VKPMYCIPBISKQI-UHFFFAOYSA-N 0 3 248.330 0.607 20 0 BCADHN c1nc2n(n1)[C@@H](CN1CCN(C3CC3)CC1)CC2 ZINC000639460554 356243653 /nfs/dbraw/zinc/24/36/53/356243653.db2.gz JJCCZOODYCDVRS-GFCCVEGCSA-N 0 3 247.346 0.545 20 0 BCADHN NC(=O)N[C@H]1CCN(C[C@@H]2CCC=CO2)C1 ZINC000278911055 181261454 /nfs/dbraw/zinc/26/14/54/181261454.db2.gz SMKKHLASGOWFDD-UWVGGRQHSA-N 0 3 225.292 0.422 20 0 BCADHN OCCN(CCc1cnccn1)CC1CC1 ZINC000639459899 356248218 /nfs/dbraw/zinc/24/82/18/356248218.db2.gz DOQHHANIDYLPLP-UHFFFAOYSA-N 0 3 221.304 0.723 20 0 BCADHN COC[C@H]1CCN(CCc2cnccn2)C1 ZINC000639495753 356322643 /nfs/dbraw/zinc/32/26/43/356322643.db2.gz QXHSJFDSSNIVDC-NSHDSACASA-N 0 3 221.304 0.987 20 0 BCADHN C[C@@H](O)CCN(C)C[C@@H]1CCc2ncnn21 ZINC000639498192 356326251 /nfs/dbraw/zinc/32/62/51/356326251.db2.gz PYGLSCIRAQPDBY-ZJUUUORDSA-N 0 3 224.308 0.468 20 0 BCADHN CC(C)[C@@H](C(=O)NC/C=C\CO)N(C)C ZINC000617686478 356286100 /nfs/dbraw/zinc/28/61/00/356286100.db2.gz JYTUZQFULTWRJJ-OMMCCPJFSA-N 0 3 214.309 0.237 20 0 BCADHN COCCN(C[C@@H]1CCO[C@@H]1C)[C@@H](C)C(N)=O ZINC000639480513 356294280 /nfs/dbraw/zinc/29/42/80/356294280.db2.gz KMNZAHXODDVURJ-AXFHLTTASA-N 0 3 244.335 0.234 20 0 BCADHN CN(C[C@H]1CCc2ncnn21)[C@@H]1CCOC1 ZINC000639483647 356298517 /nfs/dbraw/zinc/29/85/17/356298517.db2.gz WWCYTVPBQAMPDG-NXEZZACHSA-N 0 3 222.292 0.486 20 0 BCADHN CNC(=O)[C@H]1CCCN(CCc2cnccn2)C1 ZINC000639486799 356302054 /nfs/dbraw/zinc/30/20/54/356302054.db2.gz SHXSADBIPWHHGN-NSHDSACASA-N 0 3 248.330 0.477 20 0 BCADHN OCCCN(C[C@@H]1CCc2ncnn21)C1CC1 ZINC000639493376 356315452 /nfs/dbraw/zinc/31/54/52/356315452.db2.gz WQGSJXAXGLCETP-NSHDSACASA-N 0 3 236.319 0.612 20 0 BCADHN C[C@@H](CCNC(=O)C1CC(=O)C1)N(C)C ZINC000617756711 356317052 /nfs/dbraw/zinc/31/70/52/356317052.db2.gz MNAFMYOYCPOJEX-QMMMGPOBSA-N 0 3 212.293 0.422 20 0 BCADHN CC1(C)COC[C@H]1N[C@H]1CCN(C2CC2)C1=O ZINC000336292579 356331769 /nfs/dbraw/zinc/33/17/69/356331769.db2.gz QUBUBALGOFHHFN-WDEREUQCSA-N 0 3 238.331 0.764 20 0 BCADHN CCCNC(=O)[C@H](C)N1CCNC[C@](C)(F)C1 ZINC000420337558 192213798 /nfs/dbraw/zinc/21/37/98/192213798.db2.gz RBMMFGRANKGFAO-JQWIXIFHSA-N 0 3 245.342 0.535 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCC[C@H](O)CC ZINC000422896329 192500423 /nfs/dbraw/zinc/50/04/23/192500423.db2.gz XSSICNYVNDTSFC-OUAUKWLOSA-N 0 3 244.335 0.031 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CCNC[C@](C)(F)C1 ZINC000420346616 192216042 /nfs/dbraw/zinc/21/60/42/192216042.db2.gz WWVZAOVPGIZOOB-PWSUYJOCSA-N 0 3 245.342 0.535 20 0 BCADHN CC(C)CNC(=O)CN1C[C@H]2CCC[C@@H](C1)N2 ZINC000420345337 192216521 /nfs/dbraw/zinc/21/65/21/192216521.db2.gz AORXXWQHHUFYCR-TXEJJXNPSA-N 0 3 239.363 0.585 20 0 BCADHN CN(CCc1cncn1C)C[C@H](O)C1CC1 ZINC000639514251 356347816 /nfs/dbraw/zinc/34/78/16/356347816.db2.gz KEEAWEKXDOLTLZ-LBPRGKRZSA-N 0 3 223.320 0.665 20 0 BCADHN NC(=O)[C@@H]1CCCCN1CC1CCOCC1 ZINC000112696652 181267091 /nfs/dbraw/zinc/26/70/91/181267091.db2.gz ZXOWVPSCXLERQX-NSHDSACASA-N 0 3 226.320 0.753 20 0 BCADHN CCc1cc(=O)[n-]c(CN(C)C2CC([NH3+])C2)n1 ZINC000420324693 192229141 /nfs/dbraw/zinc/22/91/41/192229141.db2.gz CIZMARBHFVKHAP-UHFFFAOYSA-N 0 3 236.319 0.666 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1Cc2cncn2C1 ZINC000623271191 356385815 /nfs/dbraw/zinc/38/58/15/356385815.db2.gz VGGFSGZICQZZHT-JTQLQIEISA-N 0 3 236.319 0.264 20 0 BCADHN NC(=O)[C@@H]1CN(CC2CC2)C[C@H]1C(F)(F)F ZINC000367471445 181272411 /nfs/dbraw/zinc/27/24/11/181272411.db2.gz REPSSARSDXQEFE-HTQZYQBOSA-N 0 3 236.237 0.992 20 0 BCADHN CCN1CCC[C@H](CS(N)(=O)=O)C1 ZINC000336589453 356395674 /nfs/dbraw/zinc/39/56/74/356395674.db2.gz YWUNFHARGXNHMI-QMMMGPOBSA-N 0 3 206.311 0.007 20 0 BCADHN CCN1CCN(CCN2CCOCC2)[C@@H](C)C1 ZINC000352658563 356397607 /nfs/dbraw/zinc/39/76/07/356397607.db2.gz JLYNEVKDYIADDW-ZDUSSCGKSA-N 0 3 241.379 0.345 20 0 BCADHN CCN1CCN(C[C@@H](O)C(F)(F)F)[C@H](C)C1 ZINC000352665878 356400928 /nfs/dbraw/zinc/40/09/28/356400928.db2.gz GESZVWWORNLQIU-RKDXNWHRSA-N 0 3 240.269 0.936 20 0 BCADHN CCN1CCN(C[C@@H](O)COC(C)C)[C@@H](C)C1 ZINC000352661674 356399254 /nfs/dbraw/zinc/39/92/54/356399254.db2.gz YIHJXPUWEOXMTR-QWHCGFSZSA-N 0 3 244.379 0.798 20 0 BCADHN CCN1CCN(C[C@@H]2CCc3ncnn32)C[C@@H]1C ZINC000639546744 356410104 /nfs/dbraw/zinc/41/01/04/356410104.db2.gz KQHXZUOEIMTNPG-RYUDHWBXSA-N 0 3 249.362 0.791 20 0 BCADHN C[C@H](CO)N(C)C[C@@H]1CCc2ncnn21 ZINC000639546938 356412476 /nfs/dbraw/zinc/41/24/76/356412476.db2.gz NDRPBASMHLZQHR-BDAKNGLRSA-N 0 3 210.281 0.078 20 0 BCADHN CC(C)(C)[C@H](C[NH3+])[N-]S(=O)(=O)c1ccco1 ZINC000420453600 192242908 /nfs/dbraw/zinc/24/29/08/192242908.db2.gz VGPWEUTWXOENKM-QMMMGPOBSA-N 0 3 246.332 0.931 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-][C@H](C)CCC[NH3+])o1 ZINC000420447741 192243096 /nfs/dbraw/zinc/24/30/96/192243096.db2.gz VLDKWXQIZZTARP-MRVPVSSYSA-N 0 3 246.332 0.994 20 0 BCADHN COC1CC(N(C)CCN2CCO[C@H](C)C2)C1 ZINC000352200843 134100321 /nfs/dbraw/zinc/10/03/21/134100321.db2.gz BYXZTTWHKHNVRJ-PNESKVBLSA-N 0 3 242.363 0.816 20 0 BCADHN CN(C[C@H]1CCCN1C)c1nccn(C)c1=O ZINC000420628925 192250841 /nfs/dbraw/zinc/25/08/41/192250841.db2.gz BNNBQWARPHYLDR-SNVBAGLBSA-N 0 3 236.319 0.311 20 0 BCADHN CC(=O)CN1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000639552666 356453717 /nfs/dbraw/zinc/45/37/17/356453717.db2.gz FQTMOVLCUSKIDA-WDEREUQCSA-N 0 3 224.304 0.566 20 0 BCADHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@H]1CCCO1 ZINC000368971777 181275846 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/nfs/dbraw/zinc/52/95/90/357529590.db2.gz UUQXGYUBFDMHOO-LPEHRKFASA-N 0 3 230.283 0.324 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCC[C@@](C)(O)CC1 ZINC000230376080 357531107 /nfs/dbraw/zinc/53/11/07/357531107.db2.gz UTGJESXFRWKOBW-GXFFZTMASA-N 0 3 240.347 0.890 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000188283298 357537571 /nfs/dbraw/zinc/53/75/71/357537571.db2.gz SZPIJVMLLAXGAD-AXFHLTTASA-N 0 3 243.351 0.803 20 0 BCADHN COC(=O)[C@@H]1C[C@H](O)CN1C[Si](C)(C)C ZINC000188600669 357542357 /nfs/dbraw/zinc/54/23/57/357542357.db2.gz DNSGEDPDMHLNMS-IUCAKERBSA-N 0 3 231.368 0.472 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](C)C(=O)N(C)CC ZINC000231854937 357627166 /nfs/dbraw/zinc/62/71/66/357627166.db2.gz UKIJALPYGJOMKE-SKDRFNHKSA-N 0 3 243.351 0.487 20 0 BCADHN O=C(Nc1cc[nH]n1)c1n[nH]c2c1CNCC2 ZINC000188865433 357593719 /nfs/dbraw/zinc/59/37/19/357593719.db2.gz XFARCCRNRJTQDC-UHFFFAOYSA-N 0 3 232.247 0.031 20 0 BCADHN C[C@H](CO)N(C)CCn1ccccc1=O ZINC000159062500 538873307 /nfs/dbraw/zinc/87/33/07/538873307.db2.gz PKMCKHPLPHRISD-SNVBAGLBSA-N 0 3 210.277 0.161 20 0 BCADHN C[C@@H]1CN(CCn2ccccc2=O)CC[C@@H]1O ZINC000159467981 538877081 /nfs/dbraw/zinc/87/70/81/538877081.db2.gz RNXCVCKGLYADQN-NEPJUHHUSA-N 0 3 236.315 0.551 20 0 BCADHN COC[C@H](O)CCNCc1cn2ccccc2n1 ZINC000231608249 357611204 /nfs/dbraw/zinc/61/12/04/357611204.db2.gz NOECMGXYQUTXCB-GFCCVEGCSA-N 0 3 249.314 0.821 20 0 BCADHN CCN(C)C(=O)NCCOCCN(C)C ZINC000231655273 357616723 /nfs/dbraw/zinc/61/67/23/357616723.db2.gz FJSFKCAIZMSATO-UHFFFAOYSA-N 0 3 217.313 0.226 20 0 BCADHN Cc1cnccc1CCN(CCO)CCO ZINC000397633548 357617287 /nfs/dbraw/zinc/61/72/87/357617287.db2.gz HCIVVVYGCDEPLV-UHFFFAOYSA-N 0 3 224.304 0.219 20 0 BCADHN O=C1NC[C@@H]2CN(CC[C@H]3CCCO3)CCN12 ZINC000189523902 357643119 /nfs/dbraw/zinc/64/31/19/357643119.db2.gz CVQHKQAARSVDIG-GHMZBOCLSA-N 0 3 239.319 0.265 20 0 BCADHN CN(C)CCn1cc([C@@H]2CCCCN2)nn1 ZINC000685946659 538886316 /nfs/dbraw/zinc/88/63/16/538886316.db2.gz MBWZMLPQRDFDNQ-JTQLQIEISA-N 0 3 223.324 0.654 20 0 BCADHN COC(=O)[C@H]1[C@@H](O)CCCN1C[Si](C)(C)C ZINC000189605356 357649395 /nfs/dbraw/zinc/64/93/95/357649395.db2.gz IVLFYAOYEFTCEK-VHSXEESVSA-N 0 3 245.395 0.862 20 0 BCADHN CC(C)NC(=O)c1cc2n(n1)CCC[C@@H]2N ZINC000685947990 538889751 /nfs/dbraw/zinc/88/97/51/538889751.db2.gz UQWUSWNLDVQSPS-QMMMGPOBSA-N 0 3 222.292 0.815 20 0 BCADHN COCCOCCN1CC[C@H](OCCOC)C1 ZINC000189696022 357657993 /nfs/dbraw/zinc/65/79/93/357657993.db2.gz FPSVSZMROOGNKW-LBPRGKRZSA-N 0 3 247.335 0.387 20 0 BCADHN CCC(C)(C)NC(=O)CN1CC[C@@H](C)[C@@H]1CO ZINC000189721657 357664506 /nfs/dbraw/zinc/66/45/06/357664506.db2.gz UKHCLRIBTHYDLP-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)NC(=O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000232632506 357669826 /nfs/dbraw/zinc/66/98/26/357669826.db2.gz QDNWUZVMYHVXKT-CMPLNLGQSA-N 0 3 226.320 0.668 20 0 BCADHN CCN(CC)CCN1CCCNC(=O)[C@H]1C ZINC000189335134 357632465 /nfs/dbraw/zinc/63/24/65/357632465.db2.gz JPCZIWBKFALCPA-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN C[C@@H]1CC[C@@H](CN2CCCN(C(N)=O)CC2)O1 ZINC000190502604 357714220 /nfs/dbraw/zinc/71/42/20/357714220.db2.gz JHZHIORSFNIJSU-MNOVXSKESA-N 0 3 241.335 0.640 20 0 BCADHN CCN(CC)CC(=O)NCCN1CCCCC1 ZINC000063756516 357716753 /nfs/dbraw/zinc/71/67/53/357716753.db2.gz QGCPOTYSXCGFGP-UHFFFAOYSA-N 0 3 241.379 0.930 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190877891 357729213 /nfs/dbraw/zinc/72/92/13/357729213.db2.gz DTKFFHIJXIXNRO-VWYCJHECSA-N 0 3 242.363 0.850 20 0 BCADHN CCCN(C)CC(=O)NCCCC(=O)OC ZINC000063761750 357716805 /nfs/dbraw/zinc/71/68/05/357716805.db2.gz MLMSUFCCXBCFSW-UHFFFAOYSA-N 0 3 230.308 0.398 20 0 BCADHN CCCCNC(=O)NC(=O)CN(C)CCC ZINC000063761698 357716861 /nfs/dbraw/zinc/71/68/61/357716861.db2.gz HQGQRHCREHXRCH-UHFFFAOYSA-N 0 3 229.324 0.954 20 0 BCADHN CCCN(C)CC(=O)NC(=O)NC(C)(C)C ZINC000063762074 357717684 /nfs/dbraw/zinc/71/76/84/357717684.db2.gz AAOWACQJIVDEMF-UHFFFAOYSA-N 0 3 229.324 0.953 20 0 BCADHN CCCNC(=O)NC(=O)CN(C)CCC ZINC000063762089 357718358 /nfs/dbraw/zinc/71/83/58/357718358.db2.gz UCOWMAWBGXZFGL-UHFFFAOYSA-N 0 3 215.297 0.564 20 0 BCADHN CC(C)OCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000063827859 357718476 /nfs/dbraw/zinc/71/84/76/357718476.db2.gz NUZFPBDUMOVOLP-JTQLQIEISA-N 0 3 226.320 0.764 20 0 BCADHN CCCNC(=O)CN1C[C@@H](C)[C@H](CO)C1 ZINC000190844360 357726810 /nfs/dbraw/zinc/72/68/10/357726810.db2.gz UOJJKERNZRLLBB-ZJUUUORDSA-N 0 3 214.309 0.073 20 0 BCADHN CCCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190867320 357727563 /nfs/dbraw/zinc/72/75/63/357727563.db2.gz RSZZCASPJXNLTM-MXWKQRLJSA-N 0 3 228.336 0.461 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CCC[C@]1(C)CO ZINC000545396153 325217438 /nfs/dbraw/zinc/21/74/38/325217438.db2.gz YVHNBFZEYQEGDT-ZYHUDNBSSA-N 0 3 228.336 0.748 20 0 BCADHN CCCOCC(=O)N(C)C[C@H]1CCCN1C ZINC000233221167 357709059 /nfs/dbraw/zinc/70/90/59/357709059.db2.gz REHJJTJYMOJDKN-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@H]1CO ZINC000190913293 357732697 /nfs/dbraw/zinc/73/26/97/357732697.db2.gz PJZBYFFQJFXUSF-CSMHCCOUSA-N 0 3 227.226 0.470 20 0 BCADHN CCOC(=O)[C@@H](CC)N1CC[C@@](C)(C(N)=O)C1 ZINC000233697710 357733007 /nfs/dbraw/zinc/73/30/07/357733007.db2.gz KAVFKWDZUCYAOY-BXKDBHETSA-N 0 3 242.319 0.525 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H]1CC[C@H](O)C1)N(C)C ZINC000191181674 357740043 /nfs/dbraw/zinc/74/00/43/357740043.db2.gz BBGJXSMIJLDJDD-VWYCJHECSA-N 0 3 228.336 0.604 20 0 BCADHN CCOC[C@H](O)CN1CC[C@@H](OC)C1 ZINC000233738181 357741428 /nfs/dbraw/zinc/74/14/28/357741428.db2.gz AJBRYBBGOUNQQB-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN COCCCCCN1CCCN(C)C(=O)C1 ZINC000191081925 357748805 /nfs/dbraw/zinc/74/88/05/357748805.db2.gz SJUHOMSWJZBBTG-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN C[C@H]1CN(CCN2CCC[C@H](CO)C2)CCO1 ZINC000191407722 357769257 /nfs/dbraw/zinc/76/92/57/357769257.db2.gz FDYJVGUZEXYUHB-STQMWFEESA-N 0 3 242.363 0.411 20 0 BCADHN C[C@H]1COCCN1CCN1CCC[C@H](CO)C1 ZINC000191407762 357769316 /nfs/dbraw/zinc/76/93/16/357769316.db2.gz PBYOJTIKVSTDOA-STQMWFEESA-N 0 3 242.363 0.411 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC(O)CC1 ZINC000191417039 357770340 /nfs/dbraw/zinc/77/03/40/357770340.db2.gz LRDSBTRRPNDGND-LLVKDONJSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@H]1CN(CCN(CCO)C2CC2)CCO1 ZINC000191438996 357771493 /nfs/dbraw/zinc/77/14/93/357771493.db2.gz CYVMCDNMKOHXQL-NSHDSACASA-N 0 3 228.336 0.164 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC000191461364 357771996 /nfs/dbraw/zinc/77/19/96/357771996.db2.gz ZYDIKGIOBUUCFG-UWVGGRQHSA-N 0 3 216.325 0.866 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](C)[C@H](CO)C1)N(C)C ZINC000191815637 357798500 /nfs/dbraw/zinc/79/85/00/357798500.db2.gz CEZBZZMPYNDVJI-OUAUKWLOSA-N 0 3 228.336 0.413 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN1CCSCC1 ZINC000234716660 357819968 /nfs/dbraw/zinc/81/99/68/357819968.db2.gz DQNHFEHPHBXKIR-QWRGUYRKSA-N 0 3 249.376 0.448 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN(C)CC[C@@H](C)O ZINC000234697467 357822426 /nfs/dbraw/zinc/82/24/26/357822426.db2.gz NFBJTFWKLQVLOW-WOPDTQHZSA-N 0 3 249.351 0.102 20 0 BCADHN COCCNCC(=O)N(C)CCC(C)C ZINC000086158046 491115035 /nfs/dbraw/zinc/11/50/35/491115035.db2.gz KSKQLGZHAXGWEI-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN CCCCS(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000192916677 357853466 /nfs/dbraw/zinc/85/34/66/357853466.db2.gz LSGKPTRNWSAWLC-PHIMTYICSA-N 0 3 246.376 0.610 20 0 BCADHN CC(C)[C@@H](C)NC(=O)CN[C@@H](CO)C(C)C ZINC000086124339 357854683 /nfs/dbraw/zinc/85/46/83/357854683.db2.gz PYYNAPLPIJHZQL-MNOVXSKESA-N 0 3 230.352 0.754 20 0 BCADHN CC(C)[C@@H](CO)NCC(=O)NCC(F)(F)F ZINC000086124161 357855052 /nfs/dbraw/zinc/85/50/52/357855052.db2.gz RNEWXCFFZQSLBS-SSDOTTSWSA-N 0 3 242.241 0.271 20 0 BCADHN C[C@@H](O)CN1CCCN(C(=O)C2CC2)CC1 ZINC000192813090 357855771 /nfs/dbraw/zinc/85/57/71/357855771.db2.gz DZGLVSGQQSTJGC-SNVBAGLBSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@H](O)CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000192970872 357862255 /nfs/dbraw/zinc/86/22/55/357862255.db2.gz FANNOAYUVZVUPE-UWVGGRQHSA-N 0 3 209.293 0.970 20 0 BCADHN CO[C@H]1CCN(C(=O)C2(N)CCCCC2)C1 ZINC000234776016 357828169 /nfs/dbraw/zinc/82/81/69/357828169.db2.gz LGZFKBYJGZTODL-JTQLQIEISA-N 0 3 226.320 0.895 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN(C)[C@@H]1CCOC1 ZINC000234809862 357831804 /nfs/dbraw/zinc/83/18/04/357831804.db2.gz ZDWUYLRZNYHBCI-QJPTWQEYSA-N 0 3 247.335 0.120 20 0 BCADHN CO[C@@H]1C[C@@H](NCC(=O)NCC2CC2)C1(C)C ZINC000234827682 357832337 /nfs/dbraw/zinc/83/23/37/357832337.db2.gz YFABVQNAPGZWIN-GHMZBOCLSA-N 0 3 240.347 0.916 20 0 BCADHN CSCC[C@@H](N)C(=O)N1CCN(C)C[C@@H]1C ZINC000235045009 357842210 /nfs/dbraw/zinc/84/22/10/357842210.db2.gz KAZHJVCJWIASFX-VHSXEESVSA-N 0 3 245.392 0.229 20 0 BCADHN COCCNCC(=O)NCc1nc(C)cs1 ZINC000086158072 357861724 /nfs/dbraw/zinc/86/17/24/357861724.db2.gz KWAFLGUNHFKQFA-UHFFFAOYSA-N 0 3 243.332 0.304 20 0 BCADHN Cn1cncc1CN1CCC[C@]1(C)CO ZINC000546103823 325265315 /nfs/dbraw/zinc/26/53/15/325265315.db2.gz DDSISHLEADQWJO-LLVKDONJSA-N 0 3 209.293 0.767 20 0 BCADHN CNCC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000193138057 357876333 /nfs/dbraw/zinc/87/63/33/357876333.db2.gz ZCNDBAROYWUWGE-ONGXEEELSA-N 0 3 234.299 0.887 20 0 BCADHN CC[C@H](O)CCCNC(=O)CNC1CC1 ZINC000398544291 357887244 /nfs/dbraw/zinc/88/72/44/357887244.db2.gz HAROIBPUBAHUIR-JTQLQIEISA-N 0 3 214.309 0.406 20 0 BCADHN C[C@@H](C[S@@](C)=O)N(C)C(=O)CNCC1CC1 ZINC000398896932 357890722 /nfs/dbraw/zinc/89/07/22/357890722.db2.gz JVUXQTVRKLZTQQ-XXFAHNHDSA-N 0 3 246.376 0.211 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@@H](N)C1CCC1 ZINC000398954397 357891466 /nfs/dbraw/zinc/89/14/66/357891466.db2.gz AZXMGGANKCQFPL-UWVGGRQHSA-N 0 3 214.309 0.391 20 0 BCADHN C[C@H](NC(=O)[C@H](N)C1CCC1)c1cn[nH]c1 ZINC000399015163 357894188 /nfs/dbraw/zinc/89/41/88/357894188.db2.gz FOZDLGAGLNCEDX-OIBJUYFYSA-N 0 3 222.292 0.714 20 0 BCADHN COCC1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000399051012 357894631 /nfs/dbraw/zinc/89/46/31/357894631.db2.gz VLJHUPHXRBLSJV-LBPRGKRZSA-N 0 3 240.347 0.999 20 0 BCADHN COCCNCC(=O)NCCc1cscn1 ZINC000086158306 357863541 /nfs/dbraw/zinc/86/35/41/357863541.db2.gz ZZEGFGZVYCJJFS-UHFFFAOYSA-N 0 3 243.332 0.038 20 0 BCADHN CN(Cc1cnn(C)c1)C(=O)[C@H](N)C1CCC1 ZINC000399186101 357897727 /nfs/dbraw/zinc/89/77/27/357897727.db2.gz NSJWRDPYQAZUGP-LLVKDONJSA-N 0 3 236.319 0.506 20 0 BCADHN CNC(=O)CCN1CCOC[C@@H]1C1CCC1 ZINC000583320119 357902285 /nfs/dbraw/zinc/90/22/85/357902285.db2.gz CLGCPEPLBXVXDR-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN O=C1C[C@@H](N2CC[C@@H](C3CCCC3)C2)C(=O)N1 ZINC000584418374 357915561 /nfs/dbraw/zinc/91/55/61/357915561.db2.gz VZBGKALTZNZPLO-GHMZBOCLSA-N 0 3 236.315 0.914 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000618704856 357918875 /nfs/dbraw/zinc/91/88/75/357918875.db2.gz CKUXORPUEKGGFB-DGCLKSJQSA-N 0 3 240.347 0.823 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCC2(N(C)C)CC2)C1 ZINC000583762642 357938502 /nfs/dbraw/zinc/93/85/02/357938502.db2.gz ASPHKOFVCWPSLN-LLVKDONJSA-N 0 3 239.363 0.539 20 0 BCADHN CSCCNC(=O)N(C)CCN(C)C ZINC000610478633 357950200 /nfs/dbraw/zinc/95/02/00/357950200.db2.gz KGMMFXINRNLXGO-UHFFFAOYSA-N 0 3 219.354 0.552 20 0 BCADHN CCNC(=O)c1cccc(NC(=O)CNC)c1 ZINC000035018055 357962757 /nfs/dbraw/zinc/96/27/57/357962757.db2.gz JHPOTNHEVPGUBP-UHFFFAOYSA-N 0 3 235.287 0.594 20 0 BCADHN C[C@H](CF)NC(=O)c1cnn(CCN(C)C)c1 ZINC000633085532 357959069 /nfs/dbraw/zinc/95/90/69/357959069.db2.gz YMPHAILZUBIKIO-SECBINFHSA-N 0 3 242.298 0.533 20 0 BCADHN COC[C@@](C)(CO)NCCOC(C)(C)C ZINC000639954479 357972019 /nfs/dbraw/zinc/97/20/19/357972019.db2.gz CEBCPDGOEPWICX-LLVKDONJSA-N 0 3 219.325 0.789 20 0 BCADHN COC[C@](C)(CO)NC[C@H](O)COCC(C)C ZINC000639953529 357975875 /nfs/dbraw/zinc/97/58/75/357975875.db2.gz YCEURRABYSTKEP-RYUDHWBXSA-N 0 3 249.351 0.007 20 0 BCADHN COC[C@@](C)(CO)NCCc1cccnc1 ZINC000639955930 357978129 /nfs/dbraw/zinc/97/81/29/357978129.db2.gz AVDICMDNMRRYDD-GFCCVEGCSA-N 0 3 224.304 0.611 20 0 BCADHN COC[C@@](C)(CO)NC[C@H](O)CCOC(C)C ZINC000639958118 357981696 /nfs/dbraw/zinc/98/16/96/357981696.db2.gz PNHFXJOSCCYEOB-VXGBXAGGSA-N 0 3 249.351 0.149 20 0 BCADHN COC[C@@](C)(CO)NCCO[C@@H]1CC1(F)F ZINC000639958517 357984109 /nfs/dbraw/zinc/98/41/09/357984109.db2.gz ULKWHERMMLACFW-RKDXNWHRSA-N 0 3 239.262 0.398 20 0 BCADHN COC[C@@](C)(CO)NCCn1nc(C)cc1C ZINC000639954963 357987295 /nfs/dbraw/zinc/98/72/95/357987295.db2.gz HVNSWLHNVHNCIK-GFCCVEGCSA-N 0 3 241.335 0.487 20 0 BCADHN COC(=O)c1nccc(N[C@@H](C)CN(C)C)n1 ZINC000169029798 358013017 /nfs/dbraw/zinc/01/30/17/358013017.db2.gz SQKXEIOJGABQBM-QMMMGPOBSA-N 0 3 238.291 0.625 20 0 BCADHN CCN(C)C(=O)CNC(=O)[C@H]1CCCCCN1 ZINC000219846449 358014934 /nfs/dbraw/zinc/01/49/34/358014934.db2.gz YBCYRHHUDDSSIC-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN CO[C@@H]1CN(CCn2ccnc2)[C@@](C)(CO)C1 ZINC000639997786 358035057 /nfs/dbraw/zinc/03/50/57/358035057.db2.gz BUUREVUSDVOJEF-NWDGAFQWSA-N 0 3 239.319 0.355 20 0 BCADHN CO[C@H]1CN(CCOC(C)C)[C@](C)(CO)C1 ZINC000639997242 358035214 /nfs/dbraw/zinc/03/52/14/358035214.db2.gz IXIDFGRWSZWACL-NEPJUHHUSA-N 0 3 231.336 0.883 20 0 BCADHN CCn1nncc1CN(C)Cc1cn[nH]c1C ZINC000639970160 358022760 /nfs/dbraw/zinc/02/27/60/358022760.db2.gz CZPIEXKDQVAHHZ-UHFFFAOYSA-N 0 3 234.307 0.962 20 0 BCADHN CO[C@@H]1CN(CCc2cn[nH]c2)[C@@](C)(CO)C1 ZINC000640001821 358037660 /nfs/dbraw/zinc/03/76/60/358037660.db2.gz DGDDOXDRWCQJKZ-NWDGAFQWSA-N 0 3 239.319 0.424 20 0 BCADHN CC(C)NCC(=O)NC1CCSCC1 ZINC000220753774 358052326 /nfs/dbraw/zinc/05/23/26/358052326.db2.gz MMWFRRRNLXANFT-UHFFFAOYSA-N 0 3 216.350 0.996 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(C)CCn1cccn1 ZINC000168811610 134246760 /nfs/dbraw/zinc/24/67/60/134246760.db2.gz UESJRKQULAMYRF-WDEREUQCSA-N 0 3 238.335 0.715 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000168803584 134246790 /nfs/dbraw/zinc/24/67/90/134246790.db2.gz DQVIMDXLXNJPER-MXWKQRLJSA-N 0 3 226.320 0.716 20 0 BCADHN Cc1n[nH]cc1CNCCN1CCOCC1 ZINC000036901522 358055449 /nfs/dbraw/zinc/05/54/49/358055449.db2.gz CZGDDCOHZHXUSN-UHFFFAOYSA-N 0 3 224.308 0.140 20 0 BCADHN CCN(CC)C(=O)CN(C)C(=O)CNC1CC1 ZINC000037495222 358073482 /nfs/dbraw/zinc/07/34/82/358073482.db2.gz OPJBEADMQMYUFT-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CC[C@H](O)CNCc1cc(C)nc(C)n1 ZINC000583867887 358058672 /nfs/dbraw/zinc/05/86/72/358058672.db2.gz SAQQZPCKYXJYHN-NSHDSACASA-N 0 3 209.293 0.954 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000037032661 358063792 /nfs/dbraw/zinc/06/37/92/358063792.db2.gz BMVUFYLUBNNRQK-SNVBAGLBSA-N 0 3 235.287 0.390 20 0 BCADHN CNC(=O)c1ccc(NC(=O)[C@H](N)C(C)C)cc1 ZINC000037016171 358064454 /nfs/dbraw/zinc/06/44/54/358064454.db2.gz KGXPVWCHUQMETI-LLVKDONJSA-N 0 3 249.314 0.968 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cccnc1-n1cccn1 ZINC000037047118 358064731 /nfs/dbraw/zinc/06/47/31/358064731.db2.gz DBUPODREJGMFOJ-SECBINFHSA-N 0 3 245.286 0.943 20 0 BCADHN C[C@H](CN(C)C)NCc1cccc(C(N)=O)c1 ZINC000168774932 134248073 /nfs/dbraw/zinc/24/80/73/134248073.db2.gz GJWUTHUYPYQMOU-SNVBAGLBSA-N 0 3 235.331 0.825 20 0 BCADHN COC(=O)[C@@H](CC(C)C)NC(=O)CNC1CC1 ZINC000037395082 358079943 /nfs/dbraw/zinc/07/99/43/358079943.db2.gz LTZCKCBYBYYFHI-SNVBAGLBSA-N 0 3 242.319 0.442 20 0 BCADHN CCOC(=O)CN(C(=O)[C@H](N)CC)C1CC1 ZINC000037825635 358095338 /nfs/dbraw/zinc/09/53/38/358095338.db2.gz ZJGYJSPNQSAUCT-SECBINFHSA-N 0 3 228.292 0.278 20 0 BCADHN CCCNC(=O)[C@H](C)N1CCC[C@H](CCO)C1 ZINC000051917016 358100563 /nfs/dbraw/zinc/10/05/63/358100563.db2.gz VERHKZOZXFRGGW-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)NC1CCN(C)CC1 ZINC000170836901 134253957 /nfs/dbraw/zinc/25/39/57/134253957.db2.gz UQPMWXGAVMYALI-PSASIEDQSA-N 0 3 211.309 0.788 20 0 BCADHN CNC(=O)CCN1CCN(CC2CC2)CC1 ZINC000053238095 358120854 /nfs/dbraw/zinc/12/08/54/358120854.db2.gz CBXRPPJZIFDUCK-UHFFFAOYSA-N 0 3 225.336 0.150 20 0 BCADHN CC[C@@]1(O)CCCN(CC(=O)N(C)C)C1 ZINC000640029957 358121849 /nfs/dbraw/zinc/12/18/49/358121849.db2.gz OMJOOVFADHFTQK-LLVKDONJSA-N 0 3 214.309 0.312 20 0 BCADHN CN(C)CCn1ccc(C(=O)N(C)C2CC2)n1 ZINC000584663931 358122607 /nfs/dbraw/zinc/12/26/07/358122607.db2.gz QBTLBVPKJYVIOG-UHFFFAOYSA-N 0 3 236.319 0.679 20 0 BCADHN CCC[C@@H](O)CN[C@H](C(=O)NC)C(C)C ZINC000450669439 202213590 /nfs/dbraw/zinc/21/35/90/202213590.db2.gz BAKPJEPFUMEGHJ-ZJUUUORDSA-N 0 3 216.325 0.508 20 0 BCADHN CC[C@]1(O)CCCN([C@@H](C)C(=O)NC2CC2)C1 ZINC000640032239 358125220 /nfs/dbraw/zinc/12/52/20/358125220.db2.gz ZWPAVEFQGVLCDH-GWCFXTLKSA-N 0 3 240.347 0.890 20 0 BCADHN COC[C@@H](C)N1C[C@@H]2C[C@H]1CN2[C@H](C)COC ZINC000640048914 358134655 /nfs/dbraw/zinc/13/46/55/358134655.db2.gz LYFWZIHZYKKYDF-NDBYEHHHSA-N 0 3 242.363 0.815 20 0 BCADHN CC[C@]1(O)CCCN([C@@H]2CCNC2=O)C1 ZINC000640033580 358125698 /nfs/dbraw/zinc/12/56/98/358125698.db2.gz SRRUEOWMLYRKMY-KOLCDFICSA-N 0 3 212.293 0.112 20 0 BCADHN CC[C@@]1(O)CCCN([C@H]2CCNC2=O)C1 ZINC000640033567 358125811 /nfs/dbraw/zinc/12/58/11/358125811.db2.gz SRRUEOWMLYRKMY-GXSJLCMTSA-N 0 3 212.293 0.112 20 0 BCADHN CC[C@@]1(O)CCCN([C@H]2CCCNC2=O)C1 ZINC000640034070 358126543 /nfs/dbraw/zinc/12/65/43/358126543.db2.gz SSZCRRIBYKCBQS-CMPLNLGQSA-N 0 3 226.320 0.502 20 0 BCADHN CC[C@]1(O)CCCN(C[C@@H]2CCC(=O)N2)C1 ZINC000640034712 358127425 /nfs/dbraw/zinc/12/74/25/358127425.db2.gz BEFZEGUJTCTMEM-JQWIXIFHSA-N 0 3 226.320 0.502 20 0 BCADHN COCC(C)(C)NCC(=O)NCC(F)(F)F ZINC000076495409 325346975 /nfs/dbraw/zinc/34/69/75/325346975.db2.gz UWFPRLQMZBVVSP-UHFFFAOYSA-N 0 3 242.241 0.680 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC000583881123 358114951 /nfs/dbraw/zinc/11/49/51/358114951.db2.gz SGIQFZDTJGQAED-ZJUUUORDSA-N 0 3 242.319 0.254 20 0 BCADHN OCCCCN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640042702 358140149 /nfs/dbraw/zinc/14/01/49/358140149.db2.gz XYXJKDPFQONAPX-DTWKUNHWSA-N 0 3 241.253 0.862 20 0 BCADHN CC1(F)CCN(CCN2CCNC2=O)CC1 ZINC000640071251 358158279 /nfs/dbraw/zinc/15/82/79/358158279.db2.gz HDPOFFVOZYOOGQ-UHFFFAOYSA-N 0 3 229.299 0.836 20 0 BCADHN CCN1CC[C@@H](N2CCC[C@](O)(CC)C2)C1=O ZINC000640036846 358136660 /nfs/dbraw/zinc/13/66/60/358136660.db2.gz YIMUBOLZVHVNKK-DGCLKSJQSA-N 0 3 240.347 0.844 20 0 BCADHN CC1(F)CCN(CCN2C(=O)CNC2=O)CC1 ZINC000640071828 358163138 /nfs/dbraw/zinc/16/31/38/358163138.db2.gz IHUZUHKDXVRKHJ-UHFFFAOYSA-N 0 3 243.282 0.362 20 0 BCADHN C[C@@H]1CCN(C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000584783014 358177272 /nfs/dbraw/zinc/17/72/72/358177272.db2.gz IOLPGLMWEAXVNW-GHMZBOCLSA-N 0 3 240.351 0.023 20 0 BCADHN O[C@@H](CN1C[C@@H]2C[C@H]1C[C@@H](O)C2)C(F)(F)F ZINC000640079208 358180624 /nfs/dbraw/zinc/18/06/24/358180624.db2.gz ZHIRJNZYROHEOP-XGEHTFHBSA-N 0 3 239.237 0.755 20 0 BCADHN O[C@@H]1C[C@H]2C[C@@H](C1)N(CCc1cnccn1)C2 ZINC000640079142 358180637 /nfs/dbraw/zinc/18/06/37/358180637.db2.gz JIHBOGQEZSFAQY-KGYLQXTDSA-N 0 3 233.315 0.864 20 0 BCADHN CC(=O)c1cccc(C(=O)N[C@H](C)CN)c1 ZINC000584793239 358181211 /nfs/dbraw/zinc/18/12/11/358181211.db2.gz QRVRAUBTARAOAI-MRVPVSSYSA-N 0 3 220.272 0.966 20 0 BCADHN COCC(COC)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000388478870 358159611 /nfs/dbraw/zinc/15/96/11/358159611.db2.gz SURYIUGZKAAWBW-GHMZBOCLSA-N 0 3 242.363 0.863 20 0 BCADHN CCn1nc(C)c(CNC(=O)C2(N)CC2)c1C ZINC000584714715 358159658 /nfs/dbraw/zinc/15/96/58/358159658.db2.gz OGTOGOCIBRZNMJ-UHFFFAOYSA-N 0 3 236.319 0.627 20 0 BCADHN Cc1ncc(CN[C@@H](C)[C@H]2CCC[NH2+]2)c(=O)[n-]1 ZINC000584714879 358159898 /nfs/dbraw/zinc/15/98/98/358159898.db2.gz KTIDKDLRQPSYGQ-GZMMTYOYSA-N 0 3 236.319 0.721 20 0 BCADHN CNC(=O)CN1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000640097121 358193397 /nfs/dbraw/zinc/19/33/97/358193397.db2.gz ZETTUHXMFSLDSD-MXWKQRLJSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@](O)(CO)CNCc1cccc2c1OCO2 ZINC000090285988 491124304 /nfs/dbraw/zinc/12/43/04/491124304.db2.gz ZQZNEOPYNYILRM-LBPRGKRZSA-N 0 3 239.271 0.248 20 0 BCADHN CCOCCN(C)C[C@@](C)(O)C(C)=O ZINC000450650779 202226120 /nfs/dbraw/zinc/22/61/20/202226120.db2.gz ZVVXAMJBVPVPHQ-SNVBAGLBSA-N 0 3 203.282 0.295 20 0 BCADHN C[C@H](c1cnccn1)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000584843901 358200156 /nfs/dbraw/zinc/20/01/56/358200156.db2.gz RLBNOLMRZXMECW-RAIGVLPGSA-N 0 3 248.330 0.600 20 0 BCADHN Cc1nn(C)cc1C(=O)NCCN1CCCC1 ZINC000172166723 134262000 /nfs/dbraw/zinc/26/20/00/134262000.db2.gz DCVZTGMGPWKJEP-UHFFFAOYSA-N 0 3 236.319 0.554 20 0 BCADHN OC[C@@H]1CSCCN1CC[C@@H]1CCOC1 ZINC000450642745 202223258 /nfs/dbraw/zinc/22/32/58/202223258.db2.gz PONWTMKCKMXFPM-GHMZBOCLSA-N 0 3 231.361 0.823 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCC(=O)N1CCCC1 ZINC000134447554 325359329 /nfs/dbraw/zinc/35/93/29/325359329.db2.gz KCWIDAJBFWMVIY-JTQLQIEISA-N 0 3 241.335 0.098 20 0 BCADHN CNCC(=O)NCc1ccc(C(=O)OC)cc1 ZINC000040414489 358235850 /nfs/dbraw/zinc/23/58/50/358235850.db2.gz PRTWOSKRUNRKQP-UHFFFAOYSA-N 0 3 236.271 0.309 20 0 BCADHN COC(=O)CNC(=O)CN(C)[C@H](C)C(C)(C)C ZINC000610927264 358236109 /nfs/dbraw/zinc/23/61/09/358236109.db2.gz LONKGDWBFWMBFX-SECBINFHSA-N 0 3 244.335 0.642 20 0 BCADHN CN(CCN1CC(=O)N(C)C1)Cc1ccccc1 ZINC000450695273 202236744 /nfs/dbraw/zinc/23/67/44/202236744.db2.gz QGXGGBFXAYHKCJ-UHFFFAOYSA-N 0 3 247.342 0.850 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCc1cc[nH]n1 ZINC000041016303 358241708 /nfs/dbraw/zinc/24/17/08/358241708.db2.gz JZRBLVHYQRBYOT-VIFPVBQESA-N 0 3 210.281 0.399 20 0 BCADHN Cc1ccc(S(=O)(=O)NC2CNC2)s1 ZINC000085256368 134265097 /nfs/dbraw/zinc/26/50/97/134265097.db2.gz WHSVDTPGSGJYLD-UHFFFAOYSA-N 0 3 232.330 0.307 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCC(=O)N(C)CC1CC1 ZINC000450734909 202249638 /nfs/dbraw/zinc/24/96/38/202249638.db2.gz XPAVLXHWQYXSJM-VHSXEESVSA-N 0 3 228.336 0.461 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)[C@@H](C)CO ZINC000450732719 202249665 /nfs/dbraw/zinc/24/96/65/202249665.db2.gz KAHYFAGDBSCTJT-DCAQKATOSA-N 0 3 230.352 0.848 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCOCC2(CC2)C1 ZINC000450713159 202242379 /nfs/dbraw/zinc/24/23/79/202242379.db2.gz GUWINSJCVWAFOO-LLVKDONJSA-N 0 3 227.304 0.439 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000130148821 491126843 /nfs/dbraw/zinc/12/68/43/491126843.db2.gz GMAZWLMDVRMETH-KOLCDFICSA-N 0 3 212.293 0.363 20 0 BCADHN COC[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC000172631698 134266703 /nfs/dbraw/zinc/26/67/03/134266703.db2.gz DNADFAPZQOPKLH-NSHDSACASA-N 0 3 244.335 0.200 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCOCC2(CCC2)C1 ZINC000450744983 202252527 /nfs/dbraw/zinc/25/25/27/202252527.db2.gz OFIKWFLEFWNHRQ-LBPRGKRZSA-N 0 3 241.331 0.829 20 0 BCADHN CCC[C@@H](O)CN1CCCC[C@]1(C)C(N)=O ZINC000450744083 202252613 /nfs/dbraw/zinc/25/26/13/202252613.db2.gz KRBZYQXLCAINSS-ZYHUDNBSSA-N 0 3 228.336 0.877 20 0 BCADHN c1ncc(CNCC[C@@H]2CCOC2)cn1 ZINC000230162718 491127858 /nfs/dbraw/zinc/12/78/58/491127858.db2.gz BKASHCVDSMYTQB-SNVBAGLBSA-N 0 3 207.277 0.993 20 0 BCADHN CCOC(=O)CCCCN(CC(N)=O)C(C)C ZINC000172619814 134268554 /nfs/dbraw/zinc/26/85/54/134268554.db2.gz HMHQEZOTXQTIAY-UHFFFAOYSA-N 0 3 244.335 0.916 20 0 BCADHN NC(=O)c1ccc(CNC2CCC(O)CC2)cn1 ZINC000353530876 181296387 /nfs/dbraw/zinc/29/63/87/181296387.db2.gz NDONEQMPDLXQRP-UHFFFAOYSA-N 0 3 249.314 0.574 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCC[C@@H]1CCCCO1 ZINC000134732962 325374078 /nfs/dbraw/zinc/37/40/78/325374078.db2.gz ZCAZFIGOZZBJMB-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN NC(=O)CCN[C@@H]1COCc2ccccc21 ZINC000225983739 358332101 /nfs/dbraw/zinc/33/21/01/358332101.db2.gz BHROCGYNQGJUGY-LLVKDONJSA-N 0 3 220.272 0.723 20 0 BCADHN C[C@@H]1CCCCCN1CC(=O)N1CCNC1=O ZINC000547624326 325376216 /nfs/dbraw/zinc/37/62/16/325376216.db2.gz UHJALEGLKTUVTK-SNVBAGLBSA-N 0 3 239.319 0.803 20 0 BCADHN CN[C@@H](C)C(=O)NCc1c(C)noc1C ZINC000086110112 358335859 /nfs/dbraw/zinc/33/58/59/358335859.db2.gz LAUBOEFEGIMIBN-ZETCQYMHSA-N 0 3 211.265 0.516 20 0 BCADHN Cc1noc(C)c1CNC(=O)CNC1CC1 ZINC000086110133 358335976 /nfs/dbraw/zinc/33/59/76/358335976.db2.gz NASBBCJEFYKTLZ-UHFFFAOYSA-N 0 3 223.276 0.660 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCSC1 ZINC000226357896 358337038 /nfs/dbraw/zinc/33/70/38/358337038.db2.gz XMJXYEJWGSQMNJ-YIZRAAEISA-N 0 3 216.350 0.982 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)Cc1ccoc1C ZINC000227377457 358355104 /nfs/dbraw/zinc/35/51/04/358355104.db2.gz YNSKKTOBGKLGNR-JTQLQIEISA-N 0 3 226.276 0.520 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000229001689 358344152 /nfs/dbraw/zinc/34/41/52/358344152.db2.gz OIYFAPNCTROQMY-KPWYMIHSSA-N 0 3 234.365 0.387 20 0 BCADHN COC[C@H](CO)NC[C@H](O)CC1CCCC1 ZINC000229186985 358345674 /nfs/dbraw/zinc/34/56/74/358345674.db2.gz ZMTBPZRNULPWIE-NWDGAFQWSA-N 0 3 231.336 0.525 20 0 BCADHN NC(=O)CCNCc1ccccc1-n1cccn1 ZINC000042357951 358346630 /nfs/dbraw/zinc/34/66/30/358346630.db2.gz PEUHZRJZHQLSPE-UHFFFAOYSA-N 0 3 244.298 0.837 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1cccc(O)c1 ZINC000227368696 358354923 /nfs/dbraw/zinc/35/49/23/358354923.db2.gz XCDWVAAIYABGBQ-LLVKDONJSA-N 0 3 238.287 0.324 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1nc2c(s1)CCC2 ZINC000227378194 358354947 /nfs/dbraw/zinc/35/49/47/358354947.db2.gz HPJGQYVCIYIATR-ZETCQYMHSA-N 0 3 241.316 0.544 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000227364617 358355030 /nfs/dbraw/zinc/35/50/30/358355030.db2.gz UZTMNJBNCVEVEU-IUCAKERBSA-N 0 3 216.325 0.853 20 0 BCADHN OCC(CO)NC[C@H]1CCC2(CCCC2)O1 ZINC000229295079 358375364 /nfs/dbraw/zinc/37/53/64/358375364.db2.gz UIJNMRKQRJVLQQ-LLVKDONJSA-N 0 3 229.320 0.421 20 0 BCADHN C[C@H](CNC(=O)c1cnc(N)cn1)N(C)C1CC1 ZINC000228576776 358380170 /nfs/dbraw/zinc/38/01/70/358380170.db2.gz TWMZPHBKPUDBEH-MRVPVSSYSA-N 0 3 249.318 0.271 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1ncc(C)s1 ZINC000227418973 358356723 /nfs/dbraw/zinc/35/67/23/358356723.db2.gz SKNOAKFDOFRZAS-ZETCQYMHSA-N 0 3 229.305 0.041 20 0 BCADHN [NH3+][C@H]1CCC[C@H](CNC(=O)c2c[n-]nn2)C1 ZINC000227597940 358359994 /nfs/dbraw/zinc/35/99/94/358359994.db2.gz OBFMLDOROIEPHN-YUMQZZPRSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+][C@H]1CCC[C@H](CNC(=O)c2cnn[n-]2)C1 ZINC000227597940 358359998 /nfs/dbraw/zinc/35/99/98/358359998.db2.gz OBFMLDOROIEPHN-YUMQZZPRSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+][C@H]1CCC[C@H](CNC(=O)c2cn[n-]n2)C1 ZINC000227597940 358360002 /nfs/dbraw/zinc/36/00/02/358360002.db2.gz OBFMLDOROIEPHN-YUMQZZPRSA-N 0 3 223.280 0.052 20 0 BCADHN Cc1ncsc1C(=O)NC[C@@H]1CNCCO1 ZINC000227785726 358363713 /nfs/dbraw/zinc/36/37/13/358363713.db2.gz TUXAKNWWJRIDLX-QMMMGPOBSA-N 0 3 241.316 0.170 20 0 BCADHN C[C@@H](N)C(=O)NCC(F)(F)C(F)F ZINC000230692758 358409989 /nfs/dbraw/zinc/40/99/89/358409989.db2.gz HPIZMKOATHWOSE-GSVOUGTGSA-N 0 3 202.151 0.350 20 0 BCADHN COCCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000173891458 134278692 /nfs/dbraw/zinc/27/86/92/134278692.db2.gz AFOGWXQNPNAZHP-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN Cc1cnccc1CNCCN1CCOCC1 ZINC000228673066 358382899 /nfs/dbraw/zinc/38/28/99/358382899.db2.gz YKDOLEOXMPOECO-UHFFFAOYSA-N 0 3 235.331 0.812 20 0 BCADHN CC(C)OC[C@@H](O)CN[C@H](C)C[S@@](C)=O ZINC000228987938 358386959 /nfs/dbraw/zinc/38/69/59/358386959.db2.gz XOQGAWUTJANZIJ-HFBDOXOYSA-N 0 3 237.365 0.129 20 0 BCADHN CC(C)OC[C@H](O)CN[C@H](C)C[S@@](C)=O ZINC000228987944 358387318 /nfs/dbraw/zinc/38/73/18/358387318.db2.gz XOQGAWUTJANZIJ-IQMDTDKHSA-N 0 3 237.365 0.129 20 0 BCADHN C[C@H](CNC(=O)c1cnc(N)cn1)N1CCCC1 ZINC000230112235 358393970 /nfs/dbraw/zinc/39/39/70/358393970.db2.gz HLPNUVSCDQFCRL-SECBINFHSA-N 0 3 249.318 0.273 20 0 BCADHN OCCN(CCO)C[C@H]1CCC2(CCCC2)O1 ZINC000229392314 358402536 /nfs/dbraw/zinc/40/25/36/358402536.db2.gz YFOIKKIYDAZPPE-GFCCVEGCSA-N 0 3 243.347 0.765 20 0 BCADHN CCCC(=O)NCCCN(C)CCOC ZINC000041950752 358516633 /nfs/dbraw/zinc/51/66/33/358516633.db2.gz UNTDCSHKSUPTSM-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000043559910 358540045 /nfs/dbraw/zinc/54/00/45/358540045.db2.gz MTYQMCAYHZXGRP-AEJSXWLSSA-N 0 3 242.319 0.537 20 0 BCADHN CC[C@@H](O)CN(C)[C@@H]1CCCCNC1=O ZINC000126419260 358549420 /nfs/dbraw/zinc/54/94/20/358549420.db2.gz JUARRPQEPBRIMI-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CN(C)Cc1cccc(CNS(C)(=O)=O)c1 ZINC000046811746 358581845 /nfs/dbraw/zinc/58/18/45/358581845.db2.gz WUTJPZFMAOPHBT-UHFFFAOYSA-N 0 3 242.344 0.797 20 0 BCADHN C[C@@H](NCCOCCN(C)C)c1cnccn1 ZINC000219318727 134281658 /nfs/dbraw/zinc/28/16/58/134281658.db2.gz LRTSLMQPXAHMSW-LLVKDONJSA-N 0 3 238.335 0.705 20 0 BCADHN CN(CC1CCCCC1)C(=O)C(=O)NCCN ZINC000042491776 358524711 /nfs/dbraw/zinc/52/47/11/358524711.db2.gz JFSUWOCMACHRJQ-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN CSCC[C@H](N)C(=O)NCCn1cccn1 ZINC000042542401 358526854 /nfs/dbraw/zinc/52/68/54/358526854.db2.gz SBJZKQFWRQONMK-VIFPVBQESA-N 0 3 242.348 0.080 20 0 BCADHN CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCN ZINC000042577293 358527083 /nfs/dbraw/zinc/52/70/83/358527083.db2.gz OSOIVLPZKKDOBY-VHSXEESVSA-N 0 3 241.335 0.146 20 0 BCADHN CCCC(=O)NCCN1CCN(CC)CC1 ZINC000042590038 358527285 /nfs/dbraw/zinc/52/72/85/358527285.db2.gz POHQYEWKKOSPFW-UHFFFAOYSA-N 0 3 227.352 0.540 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000043427389 358538376 /nfs/dbraw/zinc/53/83/76/358538376.db2.gz OPMRXFLXRWJXGY-VWYCJHECSA-N 0 3 226.320 0.750 20 0 BCADHN CCOCCCN1CCCN(C(N)=O)CC1 ZINC000130336812 358619308 /nfs/dbraw/zinc/61/93/08/358619308.db2.gz APZGWEGGRMGSDP-UHFFFAOYSA-N 0 3 229.324 0.499 20 0 BCADHN CNC(=O)CC1CCN(CCOC)CC1 ZINC000174999316 134283901 /nfs/dbraw/zinc/28/39/01/134283901.db2.gz RTCLZLPICYWSMK-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN CCN(CC)C(=O)CN(C)C[C@H]1CCOC1 ZINC000047688136 358597988 /nfs/dbraw/zinc/59/79/88/358597988.db2.gz OBWPUJDGHCSZTH-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CN1CC[C@H](NC(=O)Nc2nccs2)C1 ZINC000048909410 358660702 /nfs/dbraw/zinc/66/07/02/358660702.db2.gz UXHWGJPSFCPNEA-ZETCQYMHSA-N 0 3 226.305 0.969 20 0 BCADHN Cc1cc(C(=O)N2CCNC(C)(C)C2)[nH]n1 ZINC000175435332 134287402 /nfs/dbraw/zinc/28/74/02/134287402.db2.gz JTEYSMAABAKGOR-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN Cc1cc(C(=O)N2CCNC(C)(C)C2)n[nH]1 ZINC000175435332 134287403 /nfs/dbraw/zinc/28/74/03/134287403.db2.gz JTEYSMAABAKGOR-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN CC(C)[C@@H]1CCCN1CC(=O)N1CCNC1=O ZINC000049077540 358669431 /nfs/dbraw/zinc/66/94/31/358669431.db2.gz BOMCPJPZAZEPNR-JTQLQIEISA-N 0 3 239.319 0.659 20 0 BCADHN CCCc1ccccc1NC(=O)C(=O)NCCN ZINC000049551596 358694234 /nfs/dbraw/zinc/69/42/34/358694234.db2.gz IWICNSPMWDOPDE-UHFFFAOYSA-N 0 3 249.314 0.653 20 0 BCADHN C[C@@H]1CC(C(=O)NCCN(C)C)C[C@@H](C)O1 ZINC000131938606 358701578 /nfs/dbraw/zinc/70/15/78/358701578.db2.gz JNZXZPDDVUZMGR-NXEZZACHSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)NCCN(C)C ZINC000133118149 358745931 /nfs/dbraw/zinc/74/59/31/358745931.db2.gz NCLBUGBBGFWXPM-IUCAKERBSA-N 0 3 200.282 0.089 20 0 BCADHN CN(C)CCN(C)C(=O)NCCn1cccn1 ZINC000176367194 134291060 /nfs/dbraw/zinc/29/10/60/134291060.db2.gz OPDFMPRNIDVVKN-UHFFFAOYSA-N 0 3 239.323 0.086 20 0 BCADHN CCOC[C@@H](C)NC[C@H]1CN(C)CCN1C ZINC000133451804 358755426 /nfs/dbraw/zinc/75/54/26/358755426.db2.gz MEEJOZSAYKENNF-NEPJUHHUSA-N 0 3 229.368 0.247 20 0 BCADHN CCOC[C@@H](C)NC[C@@H]1CN(C)CCN1C ZINC000133451410 358755506 /nfs/dbraw/zinc/75/55/06/358755506.db2.gz MEEJOZSAYKENNF-VXGBXAGGSA-N 0 3 229.368 0.247 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000052009442 358771118 /nfs/dbraw/zinc/77/11/18/358771118.db2.gz WLELNHLULORCFL-DCAQKATOSA-N 0 3 228.336 0.924 20 0 BCADHN C[C@H]1C[C@H](NC(=O)CN(C)C)CN1C1CC1 ZINC000133655211 358762111 /nfs/dbraw/zinc/76/21/11/358762111.db2.gz UFIICKUXOMUXEI-UWVGGRQHSA-N 0 3 225.336 0.289 20 0 BCADHN OC[C@H]1CCN(CCO[C@H]2CCCCO2)C1 ZINC000051887319 358765370 /nfs/dbraw/zinc/76/53/70/358765370.db2.gz CMOWDSXSBHCKDN-RYUDHWBXSA-N 0 3 229.320 0.844 20 0 BCADHN OC[C@H]1CCN(CCO[C@@H]2CCCCO2)C1 ZINC000051887318 358765828 /nfs/dbraw/zinc/76/58/28/358765828.db2.gz CMOWDSXSBHCKDN-NWDGAFQWSA-N 0 3 229.320 0.844 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@@H](C1CC1)N(C)C ZINC000132114872 358707837 /nfs/dbraw/zinc/70/78/37/358707837.db2.gz PELUDHUTCZEMFX-ONGXEEELSA-N 0 3 248.392 0.349 20 0 BCADHN COC[C@@](C)(CCO)NCc1c[nH]cn1 ZINC000175852092 134289293 /nfs/dbraw/zinc/28/92/93/134289293.db2.gz UDMODKSLOWVLQK-SNVBAGLBSA-N 0 3 213.281 0.287 20 0 BCADHN COC[C@@](C)(CCO)NCc1cnc[nH]1 ZINC000175852092 134289294 /nfs/dbraw/zinc/28/92/94/134289294.db2.gz UDMODKSLOWVLQK-SNVBAGLBSA-N 0 3 213.281 0.287 20 0 BCADHN CC(C)COC[C@@H](O)CN(C)[C@@H](C)CO ZINC000132242672 358714198 /nfs/dbraw/zinc/71/41/98/358714198.db2.gz WAOBSSAJVGYYEW-QWRGUYRKSA-N 0 3 219.325 0.333 20 0 BCADHN O=C1NCCCC[C@@H]1N1CCC(CO)CC1 ZINC000050104699 358715636 /nfs/dbraw/zinc/71/56/36/358715636.db2.gz FIUFODQTIXCBMZ-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN O=C(CN1CCCC[C@@H]1CCO)N1CCC1 ZINC000050104961 358715699 /nfs/dbraw/zinc/71/56/99/358715699.db2.gz NESFQIGCHPDHMQ-LLVKDONJSA-N 0 3 226.320 0.456 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCC1(CCO)CCC1 ZINC000132325721 358719541 /nfs/dbraw/zinc/71/95/41/358719541.db2.gz KNIVNEUNKCRWAC-SNVBAGLBSA-N 0 3 249.376 0.562 20 0 BCADHN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1cncc(F)c1 ZINC000050378214 358725511 /nfs/dbraw/zinc/72/55/11/358725511.db2.gz FZGGZTBDEQNEMK-SSDOTTSWSA-N 0 3 247.295 0.236 20 0 BCADHN C[C@H]1COCCN1CCNCc1cccnc1 ZINC000053381677 358826439 /nfs/dbraw/zinc/82/64/39/358826439.db2.gz KIPVYODGRWEVEZ-LBPRGKRZSA-N 0 3 235.331 0.892 20 0 BCADHN COC(=O)CCCN(CC(N)=O)C(C)(C)C ZINC000133979745 358774137 /nfs/dbraw/zinc/77/41/37/358774137.db2.gz AVLMJYWWBAJNGC-UHFFFAOYSA-N 0 3 230.308 0.525 20 0 BCADHN CS[C@H]1CCCCN(CC(N)=O)C1 ZINC000134541102 358787372 /nfs/dbraw/zinc/78/73/72/358787372.db2.gz ALIBQMLRUPRWQG-QMMMGPOBSA-N 0 3 202.323 0.689 20 0 BCADHN CC[C@H](CCO)NCc1cnc(N(C)C)n1C ZINC000134348832 358787694 /nfs/dbraw/zinc/78/76/94/358787694.db2.gz QABCDNQVTHPRHM-SNVBAGLBSA-N 0 3 240.351 0.737 20 0 BCADHN COCCC1(C(=O)NCCN(C)C)CCC1 ZINC000134512258 358793204 /nfs/dbraw/zinc/79/32/04/358793204.db2.gz HFKHZNVJKAJWNH-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN Cc1noc(C)c1CNCCCOCCO ZINC000134667010 358800844 /nfs/dbraw/zinc/80/08/44/358800844.db2.gz MSPSQMWAIHZEBC-UHFFFAOYSA-N 0 3 228.292 0.780 20 0 BCADHN C(COC[C@@H]1CCCO1)NC1CSC1 ZINC000308492311 491136616 /nfs/dbraw/zinc/13/66/16/491136616.db2.gz CBGIYJBXCKYOPV-JTQLQIEISA-N 0 3 217.334 0.887 20 0 BCADHN NC(=O)CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134860265 358809291 /nfs/dbraw/zinc/80/92/91/358809291.db2.gz IWKRNLBKSBHNAT-PWSUYJOCSA-N 0 3 237.347 0.420 20 0 BCADHN CN1CCN(CCCNC(=O)C(C)(C)C)CC1 ZINC000054534463 358867788 /nfs/dbraw/zinc/86/77/88/358867788.db2.gz AHUODQPDZZDHRJ-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H]1CCCN(C)C1 ZINC000081900806 491137002 /nfs/dbraw/zinc/13/70/02/491137002.db2.gz YGZLUIIKUPRZKD-VHSXEESVSA-N 0 3 234.365 0.103 20 0 BCADHN CSC[C@@H]1CCCN1CC(=O)N(C)C ZINC000135462701 358839580 /nfs/dbraw/zinc/83/95/80/358839580.db2.gz OHFYFIGAFHMTST-VIFPVBQESA-N 0 3 216.350 0.902 20 0 BCADHN C[C@@H](CN1CCCCC1)NCc1cn(C)nn1 ZINC000054860371 358877125 /nfs/dbraw/zinc/87/71/25/358877125.db2.gz HTLUTHXLNOYBSX-NSHDSACASA-N 0 3 237.351 0.779 20 0 BCADHN NC(=O)C[C@H]1CN(C[C@H]2CC=CCC2)CCO1 ZINC000628474766 358879550 /nfs/dbraw/zinc/87/95/50/358879550.db2.gz OZQGXLCBCVONQK-RYUDHWBXSA-N 0 3 238.331 0.919 20 0 BCADHN NC(=O)C[C@@H]1CN(C[C@H]2CC=CCC2)CCO1 ZINC000628474765 358879739 /nfs/dbraw/zinc/87/97/39/358879739.db2.gz OZQGXLCBCVONQK-NWDGAFQWSA-N 0 3 238.331 0.919 20 0 BCADHN CCCCC(=O)NCCCN1CCN(C)CC1 ZINC000055177897 358883404 /nfs/dbraw/zinc/88/34/04/358883404.db2.gz RMDRQBOGPXLNQX-UHFFFAOYSA-N 0 3 241.379 0.930 20 0 BCADHN CSC[C@H](O)CNCc1cccc(CO)c1 ZINC000578316309 366500165 /nfs/dbraw/zinc/50/01/65/366500165.db2.gz WHQVLIPKOGTDDG-GFCCVEGCSA-N 0 3 241.356 0.992 20 0 BCADHN OCCN1CCC(OC[C@H]2CCCO2)CC1 ZINC000177456917 134298120 /nfs/dbraw/zinc/29/81/20/134298120.db2.gz CNHATLWYYUXQGQ-GFCCVEGCSA-N 0 3 229.320 0.639 20 0 BCADHN c1cc2n(n1)CCC[C@H]2NCCc1cn[nH]n1 ZINC000640221159 358891896 /nfs/dbraw/zinc/89/18/96/358891896.db2.gz STCIGJGYSMWIBG-SNVBAGLBSA-N 0 3 232.291 0.668 20 0 BCADHN CC(=O)[C@](C)(O)CN[C@H]1CCCn2nccc21 ZINC000640220267 358893834 /nfs/dbraw/zinc/89/38/34/358893834.db2.gz LGWCILKXZFWPQG-CMPLNLGQSA-N 0 3 237.303 0.648 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCCCO ZINC000631770321 366503737 /nfs/dbraw/zinc/50/37/37/366503737.db2.gz AHGAGCQZWUXWFT-PWSUYJOCSA-N 0 3 240.347 0.748 20 0 BCADHN CCOCCO[C@H](C)C(=O)NC[C@@H](C)N(C)C ZINC000057470217 358905189 /nfs/dbraw/zinc/90/51/89/358905189.db2.gz PAVQNKYPNMWPQC-GHMZBOCLSA-N 0 3 246.351 0.494 20 0 BCADHN O=C(/C=C/c1cccnc1)N1CCCNCC1 ZINC000060082139 358921586 /nfs/dbraw/zinc/92/15/86/358921586.db2.gz BFYQFHZISZWVSD-SNAWJCMRSA-N 0 3 231.299 0.917 20 0 BCADHN O=C(CN1CCCN(C2CC2)CC1)N1CCC1 ZINC000061040984 358931278 /nfs/dbraw/zinc/93/12/78/358931278.db2.gz CXBJMOZFHXJXKY-UHFFFAOYSA-N 0 3 237.347 0.389 20 0 BCADHN NC(=O)CCNCc1cnc2n1CCCC2 ZINC000578351167 366533688 /nfs/dbraw/zinc/53/36/88/366533688.db2.gz KFCPJEAHHPQWEH-UHFFFAOYSA-N 0 3 222.292 0.184 20 0 BCADHN C[C@H](F)CCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000578336123 366527005 /nfs/dbraw/zinc/52/70/05/366527005.db2.gz JPLOROSYQRYQEX-UWVGGRQHSA-N 0 3 246.330 0.019 20 0 BCADHN Cc1ncc(CN[C@]2(CCO)CCOC2)n1C ZINC000578338764 366527962 /nfs/dbraw/zinc/52/79/62/366527962.db2.gz WYOTWTOFNGUERA-GFCCVEGCSA-N 0 3 239.319 0.360 20 0 BCADHN CN(C[C@@H](O)CN1OC2CCC1CC2)C1CC1 ZINC000640230887 358944298 /nfs/dbraw/zinc/94/42/98/358944298.db2.gz VPXSKRVIQJSUKK-OTTFEQOBSA-N 0 3 240.347 1.000 20 0 BCADHN CC[C@@H](N)C(=O)Nc1n[nH]cc1Br ZINC000306159767 358954464 /nfs/dbraw/zinc/95/44/64/358954464.db2.gz QLDHTPDRXGIVHZ-RXMQYKEDSA-N 0 3 247.096 0.848 20 0 BCADHN CC[C@H](C(=O)N1CCCO[C@@H](C)C1)N(C)C ZINC000177975424 134302067 /nfs/dbraw/zinc/30/20/67/134302067.db2.gz NVKHUYPELGNXBY-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C1CSC1 ZINC000631159172 359028173 /nfs/dbraw/zinc/02/81/73/359028173.db2.gz BWSQEVFRECSSQG-LLVKDONJSA-N 0 3 240.372 0.950 20 0 BCADHN CC[C@H](C(=O)N1CCO[C@@H](C)C1)N(C)C ZINC000177945238 134302289 /nfs/dbraw/zinc/30/22/89/134302289.db2.gz JFXXYABIQMBASM-VHSXEESVSA-N 0 3 214.309 0.574 20 0 BCADHN C[C@@H](CC[NH+](C)C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948868 359036261 /nfs/dbraw/zinc/03/62/61/359036261.db2.gz ASFVOVCQLQPBBL-QMMMGPOBSA-N 0 3 246.336 0.028 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)CC[C@@H](C)O ZINC000158333512 359001737 /nfs/dbraw/zinc/00/17/37/359001737.db2.gz LPQWLONITIQSJJ-ZJUUUORDSA-N 0 3 216.325 0.589 20 0 BCADHN CC(C)COC[C@@H](O)CNCc1ccnn1C ZINC000071138855 359072560 /nfs/dbraw/zinc/07/25/60/359072560.db2.gz GHIARHRWXPKLFM-LBPRGKRZSA-N 0 3 241.335 0.543 20 0 BCADHN CNC(=O)CN1CC[C@H]2OCCC[C@H]2C1 ZINC000246433511 359084460 /nfs/dbraw/zinc/08/44/60/359084460.db2.gz BCFIKKJCHZSHKV-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)[C@H]1C[C@H]1C1CC1 ZINC000246443941 359088128 /nfs/dbraw/zinc/08/81/28/359088128.db2.gz CGNXFTRTIXJVDK-GMXVVIOVSA-N 0 3 240.347 0.461 20 0 BCADHN CN(C)C(=O)[C@@H]1CCCN1C[C@@H]1CCCO1 ZINC000073106026 359095457 /nfs/dbraw/zinc/09/54/57/359095457.db2.gz VKOBEIZAVMHBKD-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN COCCCCN(C)CC(=O)N(C)C ZINC000074329312 359116608 /nfs/dbraw/zinc/11/66/08/359116608.db2.gz OFSBBXFPMJUHSH-UHFFFAOYSA-N 0 3 202.298 0.433 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC000074689443 359125202 /nfs/dbraw/zinc/12/52/02/359125202.db2.gz FOFNTBCXRNPUGU-GXSJLCMTSA-N 0 3 244.335 0.640 20 0 BCADHN CS(=O)(=O)NC1CCN(C2CCCC2)CC1 ZINC000074914585 359134998 /nfs/dbraw/zinc/13/49/98/359134998.db2.gz DHSZYVOOGBUTLW-UHFFFAOYSA-N 0 3 246.376 0.943 20 0 BCADHN CN(C)S(=O)(=O)N(C)CCN1CCCCC1 ZINC000074917393 359135384 /nfs/dbraw/zinc/13/53/84/359135384.db2.gz QHBAKKHKUKFJAP-UHFFFAOYSA-N 0 3 249.380 0.211 20 0 BCADHN CCNS(=O)(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000246701070 359157573 /nfs/dbraw/zinc/15/75/73/359157573.db2.gz ZIVDXDOHYVJPGR-ZJUUUORDSA-N 0 3 249.380 0.113 20 0 BCADHN COCCN1CCC[C@@H]1CN1CCOCC1 ZINC000075889422 359244288 /nfs/dbraw/zinc/24/42/88/359244288.db2.gz SPDAJGRIXWITMB-GFCCVEGCSA-N 0 3 228.336 0.429 20 0 BCADHN CC[C@@H](CO)N1CCN(C(C)C)CC1 ZINC000075959929 359248505 /nfs/dbraw/zinc/24/85/05/359248505.db2.gz SLDYWJMHJLLBQZ-NSHDSACASA-N 0 3 200.326 0.783 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000247314454 359211859 /nfs/dbraw/zinc/21/18/59/359211859.db2.gz HREGRJQMQUWNNX-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N1CCC[C@H]1C ZINC000247458393 359222358 /nfs/dbraw/zinc/22/23/58/359222358.db2.gz ICGLZVQOYUWYHL-HTQZYQBOSA-N 0 3 213.281 0.315 20 0 BCADHN COC(=O)[C@]1(C)CCN(Cc2cn[nH]c2)C1 ZINC000611274928 359288482 /nfs/dbraw/zinc/28/84/82/359288482.db2.gz YKKPJNUUKQNILN-LLVKDONJSA-N 0 3 223.276 0.795 20 0 BCADHN Cc1nnsc1CN[C@@H]1CCC[C@H]1O ZINC000306203406 359293227 /nfs/dbraw/zinc/29/32/27/359293227.db2.gz ZVKLJCXSWYPXAB-HTQZYQBOSA-N 0 3 213.306 0.850 20 0 BCADHN C[C@H]1CCN(CC(=O)NC(=O)NC2CC2)[C@H]1C ZINC000248366459 359270011 /nfs/dbraw/zinc/27/00/11/359270011.db2.gz SDRIYSJFJHUZII-IUCAKERBSA-N 0 3 239.319 0.705 20 0 BCADHN OC[C@]1(NCc2c[nH]c3nccnc23)CCOC1 ZINC000564136625 359338832 /nfs/dbraw/zinc/33/88/32/359338832.db2.gz DUAPEZFVFUSGDH-GFCCVEGCSA-N 0 3 248.286 0.151 20 0 BCADHN O=C1CCC[C@H](CNCc2cn[nH]c2)N1 ZINC000308899925 491139940 /nfs/dbraw/zinc/13/99/40/491139940.db2.gz BNMWPDGZQLBQJF-SECBINFHSA-N 0 3 208.265 0.168 20 0 BCADHN CO[C@H]1CCC[C@@H](NC2(C(N)=O)CC2)C1 ZINC000308921655 491140273 /nfs/dbraw/zinc/14/02/73/491140273.db2.gz HFWNPZZOTBLFRS-BDAKNGLRSA-N 0 3 212.293 0.552 20 0 BCADHN C[C@@H]1CCN(CCCC(=O)NC(N)=O)C[C@@H]1F ZINC000611501930 359385314 /nfs/dbraw/zinc/38/53/14/359385314.db2.gz KQABDEHUNPUITF-BDAKNGLRSA-N 0 3 245.298 0.641 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2ncc[nH]2)C1 ZINC000611752102 359443477 /nfs/dbraw/zinc/44/34/77/359443477.db2.gz ZHSRGUXSLVRZMH-SECBINFHSA-N 0 3 222.292 0.481 20 0 BCADHN CCc1ncncc1C(=O)NCCN1CCCC1 ZINC000611781273 359447989 /nfs/dbraw/zinc/44/79/89/359447989.db2.gz RMXUHVUXFLXLAZ-UHFFFAOYSA-N 0 3 248.330 0.865 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccnn1C(F)F ZINC000611823002 359457552 /nfs/dbraw/zinc/45/75/52/359457552.db2.gz KZZODZAHBGMPFS-UHFFFAOYSA-N 0 3 246.261 0.912 20 0 BCADHN Cc1cc(N2C[C@H]3CCN(C)[C@H]3C2)ncn1 ZINC000450780207 202264114 /nfs/dbraw/zinc/26/41/14/202264114.db2.gz POXQQBJBNAORGN-MNOVXSKESA-N 0 3 218.304 0.925 20 0 BCADHN CC[C@]1(NCc2cnnn2C)CCOC1 ZINC000308951564 491141050 /nfs/dbraw/zinc/14/10/50/491141050.db2.gz PGTLXWJNDNILCM-JTQLQIEISA-N 0 3 210.281 0.474 20 0 BCADHN CC1(C)[C@@H]2CN(C(=O)C[C@H]3CNCCO3)C[C@@H]21 ZINC000379551755 359547701 /nfs/dbraw/zinc/54/77/01/359547701.db2.gz CABHGRCXCNVJHI-GARJFASQSA-N 0 3 238.331 0.479 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N1CC[C@@](C)(O)C1 ZINC000332949841 359527624 /nfs/dbraw/zinc/52/76/24/359527624.db2.gz HVTFTNHSWIRTKY-CMPLNLGQSA-N 0 3 241.335 0.247 20 0 BCADHN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](C)N ZINC000423854624 192840865 /nfs/dbraw/zinc/84/08/65/192840865.db2.gz UZCJLZPHGPAPKN-KATARQTJSA-N 0 3 240.303 0.134 20 0 BCADHN CCC[C@@H](NC(=O)[C@@H](N)C1CCC1)C(=O)OC ZINC000423800635 192837817 /nfs/dbraw/zinc/83/78/17/192837817.db2.gz NANRHINWAHBZOU-ZJUUUORDSA-N 0 3 242.319 0.572 20 0 BCADHN CCc1ccnc(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000423989866 192852392 /nfs/dbraw/zinc/85/23/92/192852392.db2.gz IYSFMBXJTDCKTB-NSHDSACASA-N 0 3 249.314 0.362 20 0 BCADHN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)CN)C1 ZINC000423915777 192846226 /nfs/dbraw/zinc/84/62/26/192846226.db2.gz OKQYRDNBQUGSDC-GFCCVEGCSA-N 0 3 242.319 0.383 20 0 BCADHN Cc1conc1C(=O)NCC1(N(C)C)CC1 ZINC000633447071 359662401 /nfs/dbraw/zinc/66/24/01/359662401.db2.gz VEHFUXPYLMQLGS-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN CCc1nsc(N[C@H](CO)CN(C)C)n1 ZINC000309057637 491143503 /nfs/dbraw/zinc/14/35/03/491143503.db2.gz VCBNJAIHQHAKRE-ZETCQYMHSA-N 0 3 230.337 0.435 20 0 BCADHN CCOCCOC[C@H](O)CNC1CSC1 ZINC000309054332 491143529 /nfs/dbraw/zinc/14/35/29/491143529.db2.gz SSVBITYLBJMDCK-SNVBAGLBSA-N 0 3 235.349 0.105 20 0 BCADHN CCC[C@@H](O)CN1CCCNC(=O)[C@@H]1C ZINC000450821938 202274998 /nfs/dbraw/zinc/27/49/98/202274998.db2.gz OIGMUMVSXLCTPU-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@@](C)(O)C(C)=O)[C@H]1C ZINC000450829026 202279261 /nfs/dbraw/zinc/27/92/61/202279261.db2.gz NDUGAEZFGPJOEN-MKPLZMMCSA-N 0 3 243.303 0.210 20 0 BCADHN CCOCCOCCN(C)CC[C@@H](C)O ZINC000450834128 202282055 /nfs/dbraw/zinc/28/20/55/202282055.db2.gz XRAGMVZNFDRHAD-LLVKDONJSA-N 0 3 219.325 0.742 20 0 BCADHN COC(=O)C1(CN2C[C@H](OC)[C@@H](OC)C2)CC1 ZINC000450840159 202283095 /nfs/dbraw/zinc/28/30/95/202283095.db2.gz DUMKXQDBCZTGTI-UWVGGRQHSA-N 0 3 243.303 0.285 20 0 BCADHN CCN(CC(N)=O)CC1CC(F)(F)C1 ZINC000450836321 202283874 /nfs/dbraw/zinc/28/38/74/202283874.db2.gz QRYBNBUXSCCSMB-UHFFFAOYSA-N 0 3 206.236 0.839 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCN(C)[C@@H](C(C)C)C1 ZINC000450845785 202285672 /nfs/dbraw/zinc/28/56/72/202285672.db2.gz NUWQNVDGWOEEJI-CHWSQXEVSA-N 0 3 242.363 0.598 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H](O)C1CC1 ZINC000612305604 359778260 /nfs/dbraw/zinc/77/82/60/359778260.db2.gz ZRYNWNBJHWVECH-JFUSQASVSA-N 0 3 238.331 0.356 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCCCC(=O)OC ZINC000083372977 359791347 /nfs/dbraw/zinc/79/13/47/359791347.db2.gz QVKUDYUZOZSFIW-SNVBAGLBSA-N 0 3 244.335 0.963 20 0 BCADHN CCN(CC(C)(C)O)C(=O)CN(C)C(C)C ZINC000081968048 359761960 /nfs/dbraw/zinc/76/19/60/359761960.db2.gz JRVYBHMOVQMTTK-UHFFFAOYSA-N 0 3 230.352 0.946 20 0 BCADHN CC[C@](C)(CO)C(=O)N[C@@H](C)CN(C)C ZINC000578377124 366544656 /nfs/dbraw/zinc/54/46/56/366544656.db2.gz GFQHUZXQALZXKT-GXSJLCMTSA-N 0 3 216.325 0.461 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@@H](C)C1(CO)CC1 ZINC000617899034 359827792 /nfs/dbraw/zinc/82/77/92/359827792.db2.gz OBEQTEJHQIBLCX-VIFPVBQESA-N 0 3 237.303 0.538 20 0 BCADHN C[C@H](O)[C@H](C)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000578500262 366580182 /nfs/dbraw/zinc/58/01/82/366580182.db2.gz SGHRWZKWHFGJBA-CIUDSAMLSA-N 0 3 235.349 0.311 20 0 BCADHN CN(C)C1(CNC(=O)CC2(O)CCC2)CCC1 ZINC000451012307 202331739 /nfs/dbraw/zinc/33/17/39/202331739.db2.gz ZXHWOVSVGGKJFN-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](C)NC2CC2)on1 ZINC000578528747 366592437 /nfs/dbraw/zinc/59/24/37/366592437.db2.gz QDJOUKRDHIRTFP-MRVPVSSYSA-N 0 3 237.303 0.994 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCCOC[C@H]1C ZINC000613860137 363668269 /nfs/dbraw/zinc/66/82/69/363668269.db2.gz SGVYXWBLLJYZEZ-ZYHUDNBSSA-N 0 3 245.319 0.411 20 0 BCADHN CCN(C[C@H](C)OC)C[C@](C)(O)C(C)=O ZINC000451056395 202340668 /nfs/dbraw/zinc/34/06/68/202340668.db2.gz GYXHCCRXYCTPHA-ONGXEEELSA-N 0 3 217.309 0.683 20 0 BCADHN CCNC(=O)CN1CCN(C2CC2)C[C@H](C)C1 ZINC000451081353 202347876 /nfs/dbraw/zinc/34/78/76/202347876.db2.gz KLRCCVAHCGUEJY-LLVKDONJSA-N 0 3 239.363 0.539 20 0 BCADHN CN(C[C@H]1CCCO1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451139676 202365315 /nfs/dbraw/zinc/36/53/15/202365315.db2.gz PFRWRXRZKOTXII-UPJWGTAASA-N 0 3 240.347 0.570 20 0 BCADHN CCOC(=O)[C@@H]1CN(CCOC)CC12COC2 ZINC000451126432 202361123 /nfs/dbraw/zinc/36/11/23/202361123.db2.gz RCRWGUHFXYFNSW-JTQLQIEISA-N 0 3 243.303 0.144 20 0 BCADHN NCCN1CCS(=O)(=O)c2ccccc2C1 ZINC000578533308 366593112 /nfs/dbraw/zinc/59/31/12/366593112.db2.gz BFBYMSRZZOUHPB-UHFFFAOYSA-N 0 3 240.328 0.235 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000451249260 202386159 /nfs/dbraw/zinc/38/61/59/202386159.db2.gz DWTYRHTZCZNTIR-VSSNEEPJSA-N 0 3 229.320 0.946 20 0 BCADHN CN(CCN1C(=O)CCC1=O)CC(C)(C)CO ZINC000451243263 202382995 /nfs/dbraw/zinc/38/29/95/202382995.db2.gz KMSZUNGPVJBWJP-UHFFFAOYSA-N 0 3 242.319 0.086 20 0 BCADHN CN(C)C1(CNC(=O)[C@H](O)C2CCC2)CCC1 ZINC000451231888 202383381 /nfs/dbraw/zinc/38/33/81/202383381.db2.gz ZPCGAGPBCVZTKH-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN Nc1cccc(CC(=O)N2CCCNCC2)c1 ZINC000087845649 359930523 /nfs/dbraw/zinc/93/05/23/359930523.db2.gz GHLPHZILDFAHQP-UHFFFAOYSA-N 0 3 233.315 0.633 20 0 BCADHN COC[C@H](N[C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000087480587 359914085 /nfs/dbraw/zinc/91/40/85/359914085.db2.gz ULBDSONYKQMICC-MNOVXSKESA-N 0 3 247.360 0.578 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@@H](COC)C1CC1 ZINC000087478505 359914299 /nfs/dbraw/zinc/91/42/99/359914299.db2.gz UCBDARHFGFKXJM-ONGXEEELSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N(C)Cc2cnccn2)C1 ZINC000578536226 366594675 /nfs/dbraw/zinc/59/46/75/366594675.db2.gz WLTDGRKAMDBHFZ-ZYHUDNBSSA-N 0 3 248.330 0.823 20 0 BCADHN COc1ccncc1NC(=O)CNC1CC1 ZINC000578535844 366594753 /nfs/dbraw/zinc/59/47/53/366594753.db2.gz QQFLYAWOWQCPJR-UHFFFAOYSA-N 0 3 221.260 0.781 20 0 BCADHN CC(C)(CF)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000578572869 366600691 /nfs/dbraw/zinc/60/06/91/366600691.db2.gz XVTUCLCMPPVNOS-JTQLQIEISA-N 0 3 243.326 0.241 20 0 BCADHN C[C@@H]1CN(CCN(C)CC(C)(C)CO)CCO1 ZINC000451258938 202389203 /nfs/dbraw/zinc/38/92/03/202389203.db2.gz XHPCRLGVXJGGPD-GFCCVEGCSA-N 0 3 244.379 0.657 20 0 BCADHN C[C@](O)(CN[C@H]1CC[S@](=O)C1)C(F)(F)F ZINC000578618839 366608354 /nfs/dbraw/zinc/60/83/54/366608354.db2.gz WLOFPEZCPJNSIE-AKRFPOAQSA-N 0 3 245.266 0.410 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2NC(=O)C1(N)CC1 ZINC000088130153 359938372 /nfs/dbraw/zinc/93/83/72/359938372.db2.gz STEGBKDWAMWCQZ-VIFPVBQESA-N 0 3 234.303 0.405 20 0 BCADHN NC1(C(=O)N2CCc3ccc(O)cc3C2)CC1 ZINC000088130597 359938908 /nfs/dbraw/zinc/93/89/08/359938908.db2.gz MAEHCFYFACNYIS-UHFFFAOYSA-N 0 3 232.283 0.768 20 0 BCADHN NC(=O)Nc1ccc(NC(=O)C2(N)CC2)cc1 ZINC000088130120 359938962 /nfs/dbraw/zinc/93/89/62/359938962.db2.gz YAURGAQGLJOTKZ-UHFFFAOYSA-N 0 3 234.259 0.607 20 0 BCADHN C[C@@H](C[NH3+])C(=O)[N-]c1nncn1-c1ccccc1 ZINC000578767313 366644889 /nfs/dbraw/zinc/64/48/89/366644889.db2.gz JJZSHPPZIFRZAF-VIFPVBQESA-N 0 3 245.286 0.801 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2cccc(N)n2)C1 ZINC000578774594 366646726 /nfs/dbraw/zinc/64/67/26/366646726.db2.gz HCKRNJFXOMYGGX-JTQLQIEISA-N 0 3 248.330 0.735 20 0 BCADHN CN(C[C@@H](O)CN1CCCOCC1)C1CC1 ZINC000309202033 491146265 /nfs/dbraw/zinc/14/62/65/491146265.db2.gz AORMOAQDWJOROP-GFCCVEGCSA-N 0 3 228.336 0.164 20 0 BCADHN Cn1ncnc1CN1CCNCc2ccccc21 ZINC000088580874 359967032 /nfs/dbraw/zinc/96/70/32/359967032.db2.gz GSCQAOXYQLKIAH-UHFFFAOYSA-N 0 3 243.314 0.925 20 0 BCADHN CN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCOC1 ZINC000119928409 359986701 /nfs/dbraw/zinc/98/67/01/359986701.db2.gz JNMBEAXLTLYVGS-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN COCCN1CCC(NCc2ccno2)CC1 ZINC000578867910 366661888 /nfs/dbraw/zinc/66/18/88/366661888.db2.gz HXLMYQXZSJXGIG-UHFFFAOYSA-N 0 3 239.319 0.875 20 0 BCADHN CC[C@@H](O)CCCNC[C@@H](C)S(C)(=O)=O ZINC000578868112 366662135 /nfs/dbraw/zinc/66/21/35/366662135.db2.gz PDXRLWCMPULFBF-NXEZZACHSA-N 0 3 237.365 0.560 20 0 BCADHN CNC(=O)CCN[C@](C)(CO)c1ccccc1 ZINC000169267429 360016128 /nfs/dbraw/zinc/01/61/28/360016128.db2.gz CCUKPMWUSBRVSB-CYBMUJFWSA-N 0 3 236.315 0.620 20 0 BCADHN CCN(CC)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000089974881 360050812 /nfs/dbraw/zinc/05/08/12/360050812.db2.gz RZLDCTDXADMARH-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@]2(O)C[C@H]2C1)N(C)C ZINC000618757301 360092927 /nfs/dbraw/zinc/09/29/27/360092927.db2.gz FKYBSQOVZXIEOK-JBLDHEPKSA-N 0 3 226.320 0.310 20 0 BCADHN C[C@@H]1CN(C[C@H]2CC=CCC2)C[C@@H](C(N)=O)O1 ZINC000092005766 360144553 /nfs/dbraw/zinc/14/45/53/360144553.db2.gz ABZRFSJHDVBKBH-WOPDTQHZSA-N 0 3 238.331 0.917 20 0 BCADHN CO[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000091311463 360112798 /nfs/dbraw/zinc/11/27/98/360112798.db2.gz IKCLOAIXXHLEGD-OUAUKWLOSA-N 0 3 242.319 0.049 20 0 BCADHN CCCCN1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000092843146 360201897 /nfs/dbraw/zinc/20/18/97/360201897.db2.gz AORKYWRVFUKCEF-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN CCCCN1CC[C@H](S(=O)(=O)NCC)C1 ZINC000092843145 360202709 /nfs/dbraw/zinc/20/27/09/360202709.db2.gz AORKYWRVFUKCEF-JTQLQIEISA-N 0 3 234.365 0.800 20 0 BCADHN CC1(C)CCCC[C@H]1NC(=O)C(=O)NCCN ZINC000094321309 360302772 /nfs/dbraw/zinc/30/27/72/360302772.db2.gz YVQZSNCLANBRSV-SECBINFHSA-N 0 3 241.335 0.146 20 0 BCADHN CCC(CC)CN1CCN(C(=O)[C@H](C)O)CC1 ZINC000093707022 360273447 /nfs/dbraw/zinc/27/34/47/360273447.db2.gz NWHNBODABUDARE-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN Cc1nccn1CC(=O)N1CCC2(CN(C)C2)C1 ZINC000614034224 363710883 /nfs/dbraw/zinc/71/08/83/363710883.db2.gz ARCVLVSIFHNFRN-UHFFFAOYSA-N 0 3 248.330 0.356 20 0 BCADHN CNC(=O)CCN1CC[C@H](Oc2ccncc2)C1 ZINC000095428221 360336777 /nfs/dbraw/zinc/33/67/77/360336777.db2.gz STZFYGUCVHXJNW-LBPRGKRZSA-N 0 3 249.314 0.671 20 0 BCADHN CCOC(=O)COCCN1CCCC[C@@H]1CO ZINC000094805231 360320245 /nfs/dbraw/zinc/32/02/45/360320245.db2.gz ZJSGWHSZIGJAJI-LLVKDONJSA-N 0 3 245.319 0.413 20 0 BCADHN CO[C@@H](C)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000097936302 360384130 /nfs/dbraw/zinc/38/41/30/360384130.db2.gz LWEYVYBYBLRTJP-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000627236565 363726404 /nfs/dbraw/zinc/72/64/04/363726404.db2.gz JAYPIVJGNKJYLL-FNCVBFRFSA-N 0 3 215.272 0.476 20 0 BCADHN O=C1C[C@@H](NC2CSC2)CN1C1CC1 ZINC000306561605 360438884 /nfs/dbraw/zinc/43/88/84/360438884.db2.gz SZDFKMQTLLGGRA-SSDOTTSWSA-N 0 3 212.318 0.455 20 0 BCADHN C[C@@H]1CSC[C@@H]1NCC1OCCO1 ZINC000306544069 360413315 /nfs/dbraw/zinc/41/33/15/360413315.db2.gz UDQNTXWNTMJPEG-SFYZADRCSA-N 0 3 203.307 0.700 20 0 BCADHN CO[C@H](C)CN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187374046 259517152 /nfs/dbraw/zinc/51/71/52/259517152.db2.gz UENFUVKVCILBTB-BBBLOLIVSA-N 0 3 214.309 0.607 20 0 BCADHN CCNC(=S)N(C)[C@@H]1CCN(C)C1 ZINC000306604432 360531550 /nfs/dbraw/zinc/53/15/50/360531550.db2.gz NZXFYBLOQIYZHI-MRVPVSSYSA-N 0 3 201.339 0.517 20 0 BCADHN C[C@H]1C[C@@H](CNCc2cn(C)nn2)CCO1 ZINC000381039379 360536271 /nfs/dbraw/zinc/53/62/71/360536271.db2.gz BXWLTEGNOISQGL-UWVGGRQHSA-N 0 3 224.308 0.720 20 0 BCADHN COc1cc(NC(=O)[C@H]2CCN(C)C2)[nH]n1 ZINC000628626227 360578829 /nfs/dbraw/zinc/57/88/29/360578829.db2.gz WWNWWFGTOFNEDP-ZETCQYMHSA-N 0 3 224.264 0.309 20 0 BCADHN Cc1cc(CNCC2(CC(N)=O)CC2)on1 ZINC000631160842 360544647 /nfs/dbraw/zinc/54/46/47/360544647.db2.gz VWFUDWAHQVZXIW-UHFFFAOYSA-N 0 3 223.276 0.728 20 0 BCADHN Cc1[nH]c(=O)ccc1C(=O)NC[C@H]1CCCN1C ZINC000628647907 360592730 /nfs/dbraw/zinc/59/27/30/360592730.db2.gz PUJJIJDBFFYSLM-SNVBAGLBSA-N 0 3 249.314 0.920 20 0 BCADHN C[C@H](C(=O)NC[C@H]1CCCN1C)c1cncnc1 ZINC000628647960 360594849 /nfs/dbraw/zinc/59/48/49/360594849.db2.gz QKOQWIBUUPMTPY-CMPLNLGQSA-N 0 3 248.330 0.791 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1cnc2n1CCC2 ZINC000628648553 360595957 /nfs/dbraw/zinc/59/59/57/360595957.db2.gz YBGFSFCWLAPVOB-SNVBAGLBSA-N 0 3 248.330 0.653 20 0 BCADHN NC(=O)c1cccc(CNCCCO)c1 ZINC000035605002 181303517 /nfs/dbraw/zinc/30/35/17/181303517.db2.gz LKPWAPCDZUJQIL-UHFFFAOYSA-N 0 3 208.261 0.258 20 0 BCADHN NC(=O)c1cccc(CN2CC[C@@H](CO)C2)c1 ZINC000051886917 181303778 /nfs/dbraw/zinc/30/37/78/181303778.db2.gz QRMZFMCGBGZCQK-LLVKDONJSA-N 0 3 234.299 0.600 20 0 BCADHN Cc1cc(N[C@H](CO)CN(C)C)nc(C)n1 ZINC000309493688 491150196 /nfs/dbraw/zinc/15/01/96/491150196.db2.gz XUGYKULSQDOPIJ-JTQLQIEISA-N 0 3 224.308 0.428 20 0 BCADHN NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2N)c1 ZINC000050460612 181304390 /nfs/dbraw/zinc/30/43/90/181304390.db2.gz KJYZCYBUUDIVOM-DTWKUNHWSA-N 0 3 219.244 0.071 20 0 BCADHN Cc1nc(CCNCc2ncnn2C(C)C)n[nH]1 ZINC000631104290 360734629 /nfs/dbraw/zinc/73/46/29/360734629.db2.gz DPJYPIYTEOVDLN-UHFFFAOYSA-N 0 3 249.322 0.618 20 0 BCADHN Cc1nnc(CCNCc2ncnn2C(C)C)[nH]1 ZINC000631104290 360734635 /nfs/dbraw/zinc/73/46/35/360734635.db2.gz DPJYPIYTEOVDLN-UHFFFAOYSA-N 0 3 249.322 0.618 20 0 BCADHN COCCNCCNC(=O)C1(C)CCC1 ZINC000152216780 360734787 /nfs/dbraw/zinc/73/47/87/360734787.db2.gz RDWKTYCFSLXULB-UHFFFAOYSA-N 0 3 214.309 0.529 20 0 BCADHN CC[C@@H](C(=O)N1CCO[C@H](CCF)C1)N(C)C ZINC000629018199 360796167 /nfs/dbraw/zinc/79/61/67/360796167.db2.gz MCRDMKBDBZBFTL-MNOVXSKESA-N 0 3 246.326 0.914 20 0 BCADHN NC(=O)c1csc(CNC[C@@H]2CCOC2)c1 ZINC000086573644 181311491 /nfs/dbraw/zinc/31/14/91/181311491.db2.gz DZBPADXACLIVIU-QMMMGPOBSA-N 0 3 240.328 0.973 20 0 BCADHN CCc1noc(C)c1CNC[C@H](O)COC ZINC000578980969 366683999 /nfs/dbraw/zinc/68/39/99/366683999.db2.gz BLIRWULCTXOLJJ-VIFPVBQESA-N 0 3 228.292 0.642 20 0 BCADHN CNCC(=O)NC[C@@H](CC(C)C)C(=O)OC ZINC000178606491 219865923 /nfs/dbraw/zinc/86/59/23/219865923.db2.gz QDZUJQZUPLOGRR-SECBINFHSA-N 0 3 230.308 0.157 20 0 BCADHN C/C=C\CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000629041594 360834890 /nfs/dbraw/zinc/83/48/90/360834890.db2.gz XUHUSGFNDFIJRE-QUCGXOGASA-N 0 3 223.320 0.069 20 0 BCADHN CN(CC1CCC1)C(=O)[C@]1(F)CCNC1 ZINC000155339699 360874275 /nfs/dbraw/zinc/87/42/75/360874275.db2.gz NKBSZNLTERGUSR-NSHDSACASA-N 0 3 214.284 0.947 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCCCC(=O)N(C)C ZINC000155346257 360875435 /nfs/dbraw/zinc/87/54/35/360875435.db2.gz DGVLWOZVQCBFRS-KOLCDFICSA-N 0 3 243.351 0.344 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCCC(=O)N(C)C ZINC000155346366 360875770 /nfs/dbraw/zinc/87/57/70/360875770.db2.gz DGVLWOZVQCBFRS-ONGXEEELSA-N 0 3 243.351 0.344 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000627237000 363746406 /nfs/dbraw/zinc/74/64/06/363746406.db2.gz ZCCIJZWPLXEALX-UTINFBMNSA-N 0 3 211.309 0.787 20 0 BCADHN CC1(CC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC000629168705 360917719 /nfs/dbraw/zinc/91/77/19/360917719.db2.gz DXIGPJGCEKUOQZ-SNVBAGLBSA-N 0 3 226.320 0.359 20 0 BCADHN CCC(CC)CC(=O)NCCN1CC[C@@H](O)C1 ZINC000629174284 360922520 /nfs/dbraw/zinc/92/25/20/360922520.db2.gz XDVRBVSQPAQPDH-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)CCC(=O)NCCN1CC[C@@H](O)C1 ZINC000629179658 360927430 /nfs/dbraw/zinc/92/74/30/360927430.db2.gz VGOZKVGYDNCEBZ-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CS(=O)(=O)C1CCN(CC(F)(F)F)C1=O ZINC000629182174 360930806 /nfs/dbraw/zinc/93/08/06/360930806.db2.gz NTVOFBKAEBANLQ-RXMQYKEDSA-N 0 3 245.222 0.194 20 0 BCADHN CN(C[C@H]1C[C@@H](O)C1)C(=O)[C@@H]1CCCN1C ZINC000629259696 360980280 /nfs/dbraw/zinc/98/02/80/360980280.db2.gz UBDUOAVPBWTDOL-AXFHLTTASA-N 0 3 226.320 0.310 20 0 BCADHN CN1CCC(CC(=O)NC2(C)COC2)CC1 ZINC000634190114 361025702 /nfs/dbraw/zinc/02/57/02/361025702.db2.gz FLLVRDAWCZIIQJ-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CCc1nn(C)cc1CNC[C@@H]1COCCN1 ZINC000629394979 361042900 /nfs/dbraw/zinc/04/29/00/361042900.db2.gz SLXJRVSIXIDWKO-LLVKDONJSA-N 0 3 238.335 0.061 20 0 BCADHN COCc1ccc(CNC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000424099085 200858917 /nfs/dbraw/zinc/85/89/17/200858917.db2.gz LSYFCSRHUZUQOP-NEPJUHHUSA-N 0 3 234.299 0.796 20 0 BCADHN CN(CCOCC1CC1)C(=O)[C@@H]1C[C@@H]1N ZINC000424116516 200861090 /nfs/dbraw/zinc/86/10/90/200861090.db2.gz ACISAJRYHJBEMF-ZJUUUORDSA-N 0 3 212.293 0.219 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCCC(F)(F)F ZINC000424136835 200865123 /nfs/dbraw/zinc/86/51/23/200865123.db2.gz KWXHSEOBULCOTD-NTSWFWBYSA-N 0 3 210.199 0.792 20 0 BCADHN CC[C@@H](OC)C(=O)NCCCN(C)CCOC ZINC000065866827 361077564 /nfs/dbraw/zinc/07/75/64/361077564.db2.gz KJRUYHKDNVRRCJ-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN Cc1nc[nH]c1CC(=O)NC[C@@H]1CCCN1C ZINC000629453780 361078745 /nfs/dbraw/zinc/07/87/45/361078745.db2.gz UEOPJXCUKQUHGC-JTQLQIEISA-N 0 3 236.319 0.471 20 0 BCADHN CN1CCC[C@H]1CNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000629454441 361079478 /nfs/dbraw/zinc/07/94/78/361079478.db2.gz NFWQHBHJCYCYFT-YFKTTZPYSA-N 0 3 238.331 0.622 20 0 BCADHN CCC[C@@H](O)CC(=O)NC[C@@H]1CCCN1C ZINC000629455133 361080846 /nfs/dbraw/zinc/08/08/46/361080846.db2.gz IAVNBCLUJZUMCA-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN NC1(C(=O)N2CCCOCC2)CCCC1 ZINC000061920569 181323778 /nfs/dbraw/zinc/32/37/78/181323778.db2.gz DYLBKAMZNFVYJK-UHFFFAOYSA-N 0 3 212.293 0.507 20 0 BCADHN O=c1ccc(CN[C@@H](CO)CC(F)F)c[nH]1 ZINC000631122313 361113030 /nfs/dbraw/zinc/11/30/30/361113030.db2.gz PPCCWRNDJFUJKI-MRVPVSSYSA-N 0 3 232.230 0.893 20 0 BCADHN [NH3+][C@H](CC(F)F)C(=O)NCc1ncccc1[O-] ZINC000578986460 366686743 /nfs/dbraw/zinc/68/67/43/366686743.db2.gz ZTYSLPJXZGMVAJ-ZCFIWIBFSA-N 0 3 245.229 0.386 20 0 BCADHN NC1(C(=O)N2CC[C@@]3(CCOC3)C2)CCCC1 ZINC000237904282 181324836 /nfs/dbraw/zinc/32/48/36/181324836.db2.gz QUDWLEOGCDBNAW-GFCCVEGCSA-N 0 3 238.331 0.897 20 0 BCADHN Cc1ncc(CC(=O)N2CC[C@H]3CN(C)C[C@H]32)o1 ZINC000640356763 361144517 /nfs/dbraw/zinc/14/45/17/361144517.db2.gz NTKPXKJOCZCOST-CMPLNLGQSA-N 0 3 249.314 0.688 20 0 BCADHN COc1nccc(CNCC[C@@H](O)C(F)F)n1 ZINC000631215429 361157209 /nfs/dbraw/zinc/15/72/09/361157209.db2.gz AMIKQWHAKLRLOK-MRVPVSSYSA-N 0 3 247.245 0.591 20 0 BCADHN CCn1nnc(C)c1CNCC[C@@H](O)C(F)F ZINC000631216111 361159644 /nfs/dbraw/zinc/15/96/44/361159644.db2.gz KCDFUHZOKVNILT-SECBINFHSA-N 0 3 248.277 0.712 20 0 BCADHN C[C@H](CNCc1ccc(=O)[nH]c1)S(C)(=O)=O ZINC000631106684 361166874 /nfs/dbraw/zinc/16/68/74/361166874.db2.gz PSTKVVFWRZYHEQ-MRVPVSSYSA-N 0 3 244.316 0.310 20 0 BCADHN NC1(C(=O)NCC(F)(F)F)CCCC1 ZINC000037479419 181325412 /nfs/dbraw/zinc/32/54/12/181325412.db2.gz DIYVBSPIFHFESA-UHFFFAOYSA-N 0 3 210.199 0.936 20 0 BCADHN NC1(C(=O)NC[C@@H](O)c2cccc(F)c2)CC1 ZINC000153548099 181325449 /nfs/dbraw/zinc/32/54/49/181325449.db2.gz ZAASWOQGQVGMRJ-SNVBAGLBSA-N 0 3 238.262 0.467 20 0 BCADHN NC1(C(=O)NCCc2ccccc2F)CC1 ZINC000083351813 181325896 /nfs/dbraw/zinc/32/58/96/181325896.db2.gz WTPYJNATBGPMKB-UHFFFAOYSA-N 0 3 222.263 0.976 20 0 BCADHN Cc1ncc(CC(=O)N2C[C@H]3CCN(C)[C@H]3C2)o1 ZINC000640381828 361193569 /nfs/dbraw/zinc/19/35/69/361193569.db2.gz DILPTNGNGUQAGA-PWSUYJOCSA-N 0 3 249.314 0.688 20 0 BCADHN COCCNCC(=O)N1C[C@@H](C)C[C@@H]1C ZINC000158466916 361196496 /nfs/dbraw/zinc/19/64/96/361196496.db2.gz WCAXQAYQEAPNOU-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN NC1(C(=O)NC[C@@H](CO)Cc2ccccc2)CC1 ZINC000353180205 181325701 /nfs/dbraw/zinc/32/57/01/181325701.db2.gz FCZVWLVBHCDXNT-LBPRGKRZSA-N 0 3 248.326 0.445 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@@H](N)[C@H](C)CC ZINC000159140105 361221826 /nfs/dbraw/zinc/22/18/26/361221826.db2.gz WQTUJPPDTHKDQW-UTLUCORTSA-N 0 3 216.325 0.637 20 0 BCADHN NC1(C(=O)NC2CCOCC2)CCCC1 ZINC000037479545 181326455 /nfs/dbraw/zinc/32/64/55/181326455.db2.gz UMRJMWKBWAVGSY-UHFFFAOYSA-N 0 3 212.293 0.553 20 0 BCADHN O=C(CCN1C[C@H]2C[C@@]2(O)C1)NC1CCCC1 ZINC000640479152 361251389 /nfs/dbraw/zinc/25/13/89/361251389.db2.gz XRRVVSZWRQKUGM-ZWNOBZJWSA-N 0 3 238.331 0.502 20 0 BCADHN NC1(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000353751132 181327125 /nfs/dbraw/zinc/32/71/25/181327125.db2.gz CJGGWMDCFGCNOE-IVZWLZJFSA-N 0 3 236.315 0.552 20 0 BCADHN O[C@]12C[C@H]1CN(CCOCC1CCC1)C2 ZINC000640488732 361281826 /nfs/dbraw/zinc/28/18/26/361281826.db2.gz VRQZSVSPLCXOEO-RYUDHWBXSA-N 0 3 211.305 0.870 20 0 BCADHN Cc1ncc(CNCCN2CCC2)n1C ZINC000575072799 361291087 /nfs/dbraw/zinc/29/10/87/361291087.db2.gz KFBSGPIPISLWKK-UHFFFAOYSA-N 0 3 208.309 0.524 20 0 BCADHN NC1(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000237897758 181327475 /nfs/dbraw/zinc/32/74/75/181327475.db2.gz ZSKNPCKONGDKGM-GRYCIOLGSA-N 0 3 228.295 0.932 20 0 BCADHN NC1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCC1 ZINC000227331999 181327495 /nfs/dbraw/zinc/32/74/95/181327495.db2.gz LSRQMVLVLZSBSR-NWDGAFQWSA-N 0 3 246.310 0.642 20 0 BCADHN CCn1cc(CCN2C[C@H]3C[C@@]3(O)C2)cn1 ZINC000640477980 361253557 /nfs/dbraw/zinc/25/35/57/361253557.db2.gz AFRVZELXWRRDJG-VXGBXAGGSA-N 0 3 221.304 0.512 20 0 BCADHN O[C@H](Cc1ccccc1)CN1C[C@H]2C[C@@]2(O)C1 ZINC000640483599 361260025 /nfs/dbraw/zinc/26/00/25/361260025.db2.gz WSKCFZJKZXIYEB-MGPQQGTHSA-N 0 3 233.311 0.657 20 0 BCADHN O[C@H](Cc1ccccc1)CN1C[C@@H]2C[C@]2(O)C1 ZINC000640483600 361260101 /nfs/dbraw/zinc/26/01/01/361260101.db2.gz WSKCFZJKZXIYEB-MJBXVCDLSA-N 0 3 233.311 0.657 20 0 BCADHN NC1(C(=O)NC[C@H](O)Cc2ccccc2)CC1 ZINC000155505081 181326945 /nfs/dbraw/zinc/32/69/45/181326945.db2.gz SAHABDLFUVYXRF-LLVKDONJSA-N 0 3 234.299 0.198 20 0 BCADHN NC1(C(=O)NC[C@H](CCO)c2ccccc2)CC1 ZINC000262660917 181327058 /nfs/dbraw/zinc/32/70/58/181327058.db2.gz ZGHPDTVAFPIULY-LBPRGKRZSA-N 0 3 248.326 0.760 20 0 BCADHN CN(CCN1CCCC1=O)C[C@@H](O)C(C)(C)C ZINC000579034588 366700594 /nfs/dbraw/zinc/70/05/94/366700594.db2.gz KCTUXYGOMHCQLH-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN Cc1nnc(CN2C[C@H](C)N(C)C[C@@H]2C)[nH]1 ZINC000428302853 201008270 /nfs/dbraw/zinc/00/82/70/201008270.db2.gz NYHSSTWXZKIZNV-IUCAKERBSA-N 0 3 223.324 0.638 20 0 BCADHN CO[C@@H](CN1CC(C)(C(N)=O)C1)C1CC1 ZINC000579106381 366709897 /nfs/dbraw/zinc/70/98/97/366709897.db2.gz SAVDIRDNLPSXMH-VIFPVBQESA-N 0 3 212.293 0.219 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCN1CCCCC1 ZINC000579117508 366714708 /nfs/dbraw/zinc/71/47/08/366714708.db2.gz RNIJEPDPNVXXOH-VXGBXAGGSA-N 0 3 228.336 0.476 20 0 BCADHN CC(=O)NCCCN1CCN(C)C[C@H]1C(C)C ZINC000579115829 366714906 /nfs/dbraw/zinc/71/49/06/366714906.db2.gz XDTMULJTISXNRB-ZDUSSCGKSA-N 0 3 241.379 0.785 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000428210699 201001360 /nfs/dbraw/zinc/00/13/60/201001360.db2.gz SGRIVAUHWYYSTP-SNVBAGLBSA-N 0 3 226.320 0.312 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H](O)C2(CC2)C1 ZINC000428210698 201002601 /nfs/dbraw/zinc/00/26/01/201002601.db2.gz SGRIVAUHWYYSTP-JTQLQIEISA-N 0 3 226.320 0.312 20 0 BCADHN CCN(CCNC(=O)Cn1ccnc1)C1CC1 ZINC000579182614 366727423 /nfs/dbraw/zinc/72/74/23/366727423.db2.gz DNLXOJXXESGCAJ-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN Cc1cc(CN2CC[C@H]([C@@H](C)O)C2)ncn1 ZINC000428350689 201011919 /nfs/dbraw/zinc/01/19/19/201011919.db2.gz FMWIYFZOEWJDQP-MNOVXSKESA-N 0 3 221.304 0.988 20 0 BCADHN CNC(=O)CN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000428423794 201012997 /nfs/dbraw/zinc/01/29/97/201012997.db2.gz RJAIHMBUYPSANU-ONGXEEELSA-N 0 3 234.299 0.887 20 0 BCADHN O=C(c1ncncc1Cl)N1CCCNCC1 ZINC000428416166 201013945 /nfs/dbraw/zinc/01/39/45/201013945.db2.gz DNWJCBCUSVHWKK-UHFFFAOYSA-N 0 3 240.694 0.566 20 0 BCADHN CNC(=O)CN[C@H](C)[C@@H]1COc2ccccc21 ZINC000428423790 201015314 /nfs/dbraw/zinc/01/53/14/201015314.db2.gz RJAIHMBUYPSANU-KOLCDFICSA-N 0 3 234.299 0.887 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000579221614 366735827 /nfs/dbraw/zinc/73/58/27/366735827.db2.gz DVXPXPVKNNPNAO-IVZWLZJFSA-N 0 3 234.303 0.811 20 0 BCADHN CCn1cc(CCN[C@@H]2COC[C@H]2OC)cn1 ZINC000579234193 366740870 /nfs/dbraw/zinc/74/08/70/366740870.db2.gz QGAJMJNBWFFELB-VXGBXAGGSA-N 0 3 239.319 0.449 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)CN(C)C(C)C ZINC000067571729 370685940 /nfs/dbraw/zinc/68/59/40/370685940.db2.gz OOEJXRPWCKMDTM-LBPRGKRZSA-N 0 3 241.379 0.927 20 0 BCADHN C[C@@H]1CN(CC2=CCCOC2)CCN1CCO ZINC000428471268 201023011 /nfs/dbraw/zinc/02/30/11/201023011.db2.gz WFAIAKJDGZNMTL-GFCCVEGCSA-N 0 3 240.347 0.332 20 0 BCADHN CC[C@]1(CO)CCCN1Cc1n[nH]c(C)n1 ZINC000428485310 201024578 /nfs/dbraw/zinc/02/45/78/201024578.db2.gz UPYUPDUXYOQWFF-LLVKDONJSA-N 0 3 224.308 0.850 20 0 BCADHN CC[C@@]1(CO)CCCN1Cc1n[nH]c(C)n1 ZINC000428485312 201025028 /nfs/dbraw/zinc/02/50/28/201025028.db2.gz UPYUPDUXYOQWFF-NSHDSACASA-N 0 3 224.308 0.850 20 0 BCADHN CCN1CCCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000622050093 370682163 /nfs/dbraw/zinc/68/21/63/370682163.db2.gz WLAWLNCWRLWJCS-UHFFFAOYSA-N 0 3 249.314 0.955 20 0 BCADHN CNCc1ccccc1NC(=O)[C@@H](C)NC(C)=O ZINC000428560669 201027986 /nfs/dbraw/zinc/02/79/86/201027986.db2.gz OWULYMNVMLQUPU-SECBINFHSA-N 0 3 249.314 0.869 20 0 BCADHN NC1(C(=O)Nc2cccc3[nH]cnc32)CC1 ZINC000269250097 181328701 /nfs/dbraw/zinc/32/87/01/181328701.db2.gz OSTPYVVWFRSKTP-UHFFFAOYSA-N 0 3 216.244 0.993 20 0 BCADHN C[C@H]1CCN(CCNCc2cn(C)cn2)C1 ZINC000309806061 491156303 /nfs/dbraw/zinc/15/63/03/491156303.db2.gz SDJWJPIWPSBJDS-NSHDSACASA-N 0 3 222.336 0.852 20 0 BCADHN CNC(=O)CN1CCC[C@@]1(C)CCCO ZINC000428303831 201008603 /nfs/dbraw/zinc/00/86/03/201008603.db2.gz UMYZZFPZCPRETH-NSHDSACASA-N 0 3 214.309 0.359 20 0 BCADHN CNC(=O)CN[C@@]1(C)CCCC[C@H]1C(=O)OC ZINC000428307504 201008716 /nfs/dbraw/zinc/00/87/16/201008716.db2.gz VCXIQPRDRHKTSC-CABZTGNLSA-N 0 3 242.319 0.444 20 0 BCADHN CN[C@H]1CC(=O)N(Cc2ccccc2OC)C1=O ZINC000579242524 366744908 /nfs/dbraw/zinc/74/49/08/366744908.db2.gz MFZHPNBSRMXTPB-JTQLQIEISA-N 0 3 248.282 0.542 20 0 BCADHN CNC(=O)CN(CC1CCC1)[C@@H](C)CO ZINC000428952439 201051231 /nfs/dbraw/zinc/05/12/31/201051231.db2.gz CPGKBDWOICTAJJ-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN Cc1nc(CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)n[nH]1 ZINC000428942003 201050244 /nfs/dbraw/zinc/05/02/44/201050244.db2.gz XWCSFYGNJWPKBZ-BXKDBHETSA-N 0 3 249.318 0.260 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000428673593 201033662 /nfs/dbraw/zinc/03/36/62/201033662.db2.gz GKVGFHDHXXSPMH-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN COC[C@@H](O)CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428741546 201040031 /nfs/dbraw/zinc/04/00/31/201040031.db2.gz QRBIFTOCIIHBHS-LPEHRKFASA-N 0 3 235.274 0.971 20 0 BCADHN CCc1ccc(NC(=O)C(=O)N[C@H](C)CN)cc1 ZINC000415593937 219891791 /nfs/dbraw/zinc/89/17/91/219891791.db2.gz FSNVRQICWDGQBU-SECBINFHSA-N 0 3 249.314 0.651 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@](O)(CC)C1 ZINC000428747517 201040819 /nfs/dbraw/zinc/04/08/19/201040819.db2.gz KJLHPSHWHDLTEE-GFCCVEGCSA-N 0 3 228.336 0.702 20 0 BCADHN CCCN(C)CC(=O)NCC1(CCO)CC1 ZINC000428816719 201043820 /nfs/dbraw/zinc/04/38/20/201043820.db2.gz JAMKEEATDUNYSP-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN NC1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1 ZINC000226689095 181329492 /nfs/dbraw/zinc/32/94/92/181329492.db2.gz YAMQBOIHUTTYBV-MNOVXSKESA-N 0 3 232.283 0.252 20 0 BCADHN CCCN(CCC[C@H](C)O)CC(N)=O ZINC000429156121 201073819 /nfs/dbraw/zinc/07/38/19/201073819.db2.gz DUGQIZFEODLGLG-VIFPVBQESA-N 0 3 202.298 0.345 20 0 BCADHN CC(C)OC[C@H](O)CN1CC[C@H](O)C[C@@H]1C ZINC000429122242 201071353 /nfs/dbraw/zinc/07/13/53/201071353.db2.gz OSMUFNBAELRGBS-SDDRHHMPSA-N 0 3 231.336 0.618 20 0 BCADHN C[C@H](C(=O)NCCN(C)C)N1CCSCC1 ZINC000428955514 201053465 /nfs/dbraw/zinc/05/34/65/201053465.db2.gz KZKVFBLHWCRQFU-SNVBAGLBSA-N 0 3 245.392 0.102 20 0 BCADHN Cc1cc(CN2CC[C@H](CO)[C@@H]2C)ncn1 ZINC000428961952 201053633 /nfs/dbraw/zinc/05/36/33/201053633.db2.gz AWWKZMVJSOBUBH-WDEREUQCSA-N 0 3 221.304 0.988 20 0 BCADHN CC(C)OCC(=O)N(C)CCN(C)C ZINC000162519980 361354122 /nfs/dbraw/zinc/35/41/22/361354122.db2.gz OQBJYEPXCJLREP-UHFFFAOYSA-N 0 3 202.298 0.431 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CCOC[C@@H](C2CCC2)C1 ZINC000428992791 201057259 /nfs/dbraw/zinc/05/72/59/201057259.db2.gz MLXGEEPUUMKNOB-RWMBFGLXSA-N 0 3 241.331 0.495 20 0 BCADHN CCOC[C@@H](O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000429217394 201079448 /nfs/dbraw/zinc/07/94/48/201079448.db2.gz GJGRZHSAYGPXOY-WDEREUQCSA-N 0 3 246.351 0.086 20 0 BCADHN COCC(C)(C)N(C)CCN1CCOCC1 ZINC000429240964 201083815 /nfs/dbraw/zinc/08/38/15/201083815.db2.gz YAANZFHGJCNAQM-UHFFFAOYSA-N 0 3 230.352 0.675 20 0 BCADHN CN(C)CCN(C)C(=O)NC1CC(F)(F)C1 ZINC000429236599 201084039 /nfs/dbraw/zinc/08/40/39/201084039.db2.gz UJCKNRFFIALARZ-UHFFFAOYSA-N 0 3 235.278 0.987 20 0 BCADHN CN(CCn1cncn1)C1(CO)CCC1 ZINC000429262192 201085014 /nfs/dbraw/zinc/08/50/14/201085014.db2.gz DUUSHRAWXCZYOP-UHFFFAOYSA-N 0 3 210.281 0.125 20 0 BCADHN COCC[C@H](C)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429398407 201107175 /nfs/dbraw/zinc/10/71/75/201107175.db2.gz ABTMDMOILQSAKM-WDEREUQCSA-N 0 3 249.376 0.778 20 0 BCADHN CC[C@@](C)(O)CN[C@@H]1COC[C@H]1OC ZINC000579350669 366765634 /nfs/dbraw/zinc/76/56/34/366765634.db2.gz PSSTVDQFRCXSFV-OPRDCNLKSA-N 0 3 203.282 0.151 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN[C@H](C)C1 ZINC000429335026 201100525 /nfs/dbraw/zinc/10/05/25/201100525.db2.gz NTZVMZSLBVTCPC-IJLUTSLNSA-N 0 3 239.363 0.680 20 0 BCADHN CC[C@@H](C)N1CCCN(S(C)(=O)=O)CC1 ZINC000181107032 366785358 /nfs/dbraw/zinc/78/53/58/366785358.db2.gz XDLSBELAXMMSKV-SNVBAGLBSA-N 0 3 234.365 0.752 20 0 BCADHN C[C@H](O)CCN(C)CCN1CCCOCC1 ZINC000429694826 201125264 /nfs/dbraw/zinc/12/52/64/201125264.db2.gz NVZQKKVYCCTLPT-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN CC[C@H]1CO[C@@H](C)CN1C(=O)COC1CNC1 ZINC000429734949 201128978 /nfs/dbraw/zinc/12/89/78/201128978.db2.gz KAYZOIORDUMFOM-UWVGGRQHSA-N 0 3 242.319 0.001 20 0 BCADHN CC1(C)CN(CCN2CCCOCC2)CCO1 ZINC000429720110 201129431 /nfs/dbraw/zinc/12/94/31/201129431.db2.gz DVEZLIGFRQNZRK-UHFFFAOYSA-N 0 3 242.363 0.820 20 0 BCADHN COC1CCN(CCN2CCCOCC2)CC1 ZINC000429729953 201129598 /nfs/dbraw/zinc/12/95/98/201129598.db2.gz JYYPAHUYKDISJO-UHFFFAOYSA-N 0 3 242.363 0.820 20 0 BCADHN C[C@H](CNC(=O)COC1CNC1)c1ccccc1 ZINC000429731805 201130019 /nfs/dbraw/zinc/13/00/19/201130019.db2.gz 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ZINC000614847342 363995758 /nfs/dbraw/zinc/99/57/58/363995758.db2.gz LYUIRWQDVXBYDE-UWVGGRQHSA-N 0 3 240.303 0.422 20 0 BCADHN Cc1ccoc1CC(=O)N[C@@H](CO)CN(C)C ZINC000614858709 364015435 /nfs/dbraw/zinc/01/54/35/364015435.db2.gz JYRDJWNMLOXVOB-SNVBAGLBSA-N 0 3 240.303 0.169 20 0 BCADHN CCC(C)(C)CC(=O)N[C@@H](CO)CN(C)C ZINC000614850410 364001785 /nfs/dbraw/zinc/00/17/85/364001785.db2.gz XTZZNLYDYXAPIP-SNVBAGLBSA-N 0 3 230.352 0.851 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)c1ccc(F)s1 ZINC000614860012 364014753 /nfs/dbraw/zinc/01/47/53/364014753.db2.gz SOTCSSWAGSZWDR-ZETCQYMHSA-N 0 3 246.307 0.540 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@]1(C)CC=CCC1 ZINC000614858660 364014988 /nfs/dbraw/zinc/01/49/88/364014988.db2.gz QSUJGGIURRTBDT-DGCLKSJQSA-N 0 3 240.347 0.772 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)CC1(C)CC1 ZINC000614851876 364006626 /nfs/dbraw/zinc/00/66/26/364006626.db2.gz LDRXVANJWPFHOK-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000614853290 364007913 /nfs/dbraw/zinc/00/79/13/364007913.db2.gz VOLWMOZHJOHRMC-OUAUKWLOSA-N 0 3 228.336 0.317 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCCCS1 ZINC000614853461 364008280 /nfs/dbraw/zinc/00/82/80/364008280.db2.gz WQOGBLMGEHKXSW-UWVGGRQHSA-N 0 3 246.376 0.311 20 0 BCADHN CC[C@H](C(=O)N(C)C1(CO)CC1)N(C)C ZINC000614770560 363964842 /nfs/dbraw/zinc/96/48/42/363964842.db2.gz YCDMBKUVAVNMSI-SECBINFHSA-N 0 3 214.309 0.310 20 0 BCADHN NCC(=O)NCc1cc(F)ccc1F ZINC000082589059 181354253 /nfs/dbraw/zinc/35/42/53/181354253.db2.gz YVWJTGOPRGYISW-UHFFFAOYSA-N 0 3 200.188 0.540 20 0 BCADHN CO[C@H](C(=O)N[C@@H](C)CN(C)C)[C@@H]1CCOC1 ZINC000614838437 363990285 /nfs/dbraw/zinc/99/02/85/363990285.db2.gz IKIVUYSJIBTKMP-AXFHLTTASA-N 0 3 244.335 0.104 20 0 BCADHN C[NH+](C)CCCS(=O)(=O)[N-]CC(F)F ZINC000632054410 364063269 /nfs/dbraw/zinc/06/32/69/364063269.db2.gz WIKXEHSBEURMGU-UHFFFAOYSA-N 0 3 230.280 0.123 20 0 BCADHN CN(C)CCNC(=O)c1ncc2ccccn21 ZINC000630409112 364141577 /nfs/dbraw/zinc/14/15/77/364141577.db2.gz COGNFHURICFRMN-UHFFFAOYSA-N 0 3 232.287 0.626 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)NCCN(C)C)[C@@H](C)O1 ZINC000630409461 364142517 /nfs/dbraw/zinc/14/25/17/364142517.db2.gz SCCIUOASXCSWRR-OPRDCNLKSA-N 0 3 214.309 0.478 20 0 BCADHN CN(C(=O)C1CSC1)C1CCN(C)CC1 ZINC000630392800 364114234 /nfs/dbraw/zinc/11/42/34/364114234.db2.gz GICDSKPAQOFIQU-UHFFFAOYSA-N 0 3 228.361 0.902 20 0 BCADHN CCCCNC(=O)c1cnn(CCN(C)C)c1 ZINC000630401787 364131145 /nfs/dbraw/zinc/13/11/45/364131145.db2.gz LEPANQLXBCXMRH-UHFFFAOYSA-N 0 3 238.335 0.975 20 0 BCADHN Cc1oc(C(=O)NCCN(C)C)cc1CO ZINC000630408302 364139850 /nfs/dbraw/zinc/13/98/50/364139850.db2.gz KGTUGFQCHOQXPI-UHFFFAOYSA-N 0 3 226.276 0.372 20 0 BCADHN CN(C)CCn1cc(C(=O)NC2CC2)cn1 ZINC000630412456 364150821 /nfs/dbraw/zinc/15/08/21/364150821.db2.gz UDOGDSVQEBSCQG-UHFFFAOYSA-N 0 3 222.292 0.337 20 0 BCADHN CCN1CC[C@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC000622104769 370711121 /nfs/dbraw/zinc/71/11/21/370711121.db2.gz FFAYWHMBSTYRGN-JTQLQIEISA-N 0 3 236.319 0.851 20 0 BCADHN CCOC1CCN(C[C@](C)(O)C(=O)OC)CC1 ZINC000080210106 370736330 /nfs/dbraw/zinc/73/63/30/370736330.db2.gz OAIWGCQNBDFIQK-LBPRGKRZSA-N 0 3 245.319 0.411 20 0 BCADHN C[C@@H](CNC(=O)CCN1CCCC1=O)N(C)C ZINC000068103719 370743771 /nfs/dbraw/zinc/74/37/71/370743771.db2.gz GNZFLDWOUNBPTC-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN COc1ccnc(C(=O)NC[C@H]2CCCN2C)c1 ZINC000116200833 370744051 /nfs/dbraw/zinc/74/40/51/370744051.db2.gz OIBBBUCALFKCDZ-SNVBAGLBSA-N 0 3 249.314 0.914 20 0 BCADHN CC(C)[C@H]1CNCCN1c1cncc2ncnn21 ZINC000630521219 364206750 /nfs/dbraw/zinc/20/67/50/364206750.db2.gz NUZYOOFWLKIAAT-SNVBAGLBSA-N 0 3 246.318 0.559 20 0 BCADHN CC(C)[C@@H]1CNCCN1c1cncc2ncnn21 ZINC000630521217 364206857 /nfs/dbraw/zinc/20/68/57/364206857.db2.gz NUZYOOFWLKIAAT-JTQLQIEISA-N 0 3 246.318 0.559 20 0 BCADHN c1[n-][nH]c2ncnc(=N[C@H]3CC[NH2+]C34CCC4)c1-2 ZINC000630524940 364212532 /nfs/dbraw/zinc/21/25/32/364212532.db2.gz WMTGCDKLZYKQEZ-VIFPVBQESA-N 0 3 244.302 0.423 20 0 BCADHN CCN(CCN)C(=O)C(=O)c1ccc[nH]1 ZINC000630577865 364275296 /nfs/dbraw/zinc/27/52/96/364275296.db2.gz AZZZVKWZRKHDHC-UHFFFAOYSA-N 0 3 209.249 0.005 20 0 BCADHN COCC1(C)CN(C[C@H](O)CSC)C1 ZINC000432752017 192953941 /nfs/dbraw/zinc/95/39/41/192953941.db2.gz HMABZJREAHHMML-VIFPVBQESA-N 0 3 219.350 0.679 20 0 BCADHN CC(C)[C@H](C(=O)NCc1c[nH]c(=O)[nH]1)N(C)C ZINC000614998691 364324716 /nfs/dbraw/zinc/32/47/16/364324716.db2.gz KRQUCWKBXFESIE-SECBINFHSA-N 0 3 240.307 0.318 20 0 BCADHN COC[C@]1(C)C[C@@H]1n1cc(CCN(C)C)nn1 ZINC000630606585 364329599 /nfs/dbraw/zinc/32/95/99/364329599.db2.gz LDLYXGGMEIXTQA-RYUDHWBXSA-N 0 3 238.335 0.980 20 0 BCADHN CC(=O)C(C)(C)n1cc(C(C)(C)N)nn1 ZINC000630607002 364331790 /nfs/dbraw/zinc/33/17/90/364331790.db2.gz VHBMGPZUADMIHS-UHFFFAOYSA-N 0 3 210.281 0.796 20 0 BCADHN Cc1cc(C)c(Cn2nnnc2CN)c(C)n1 ZINC000630583173 364289730 /nfs/dbraw/zinc/28/97/30/364289730.db2.gz ODGUHBSLZRJNDT-UHFFFAOYSA-N 0 3 232.291 0.500 20 0 BCADHN NCc1cnn(Cc2cn(C3CC3)nn2)c1 ZINC000630591676 364306329 /nfs/dbraw/zinc/30/63/29/364306329.db2.gz ROGPJBXQFQFUFG-UHFFFAOYSA-N 0 3 218.264 0.317 20 0 BCADHN CC(C)(N)c1cn(-c2ccccn2)nn1 ZINC000630598870 364315695 /nfs/dbraw/zinc/31/56/95/364315695.db2.gz JKSAZNJTKWIQAE-UHFFFAOYSA-N 0 3 203.249 0.856 20 0 BCADHN CC(C)(C)c1cn(C[C@@H]2CNCCO2)nn1 ZINC000630616242 364352533 /nfs/dbraw/zinc/35/25/33/364352533.db2.gz HDHSFLMHVLYIRP-VIFPVBQESA-N 0 3 224.308 0.564 20 0 BCADHN C[C@@H](O)CCc1cn(CCN2CCCC2)nn1 ZINC000630617707 364353342 /nfs/dbraw/zinc/35/33/42/364353342.db2.gz GGCHBIPIIBBPAT-LLVKDONJSA-N 0 3 238.335 0.687 20 0 BCADHN CC(=O)NCc1cn(CCN2CCCC2)nn1 ZINC000630618238 364354460 /nfs/dbraw/zinc/35/44/60/364354460.db2.gz RZERLAVFEZKMTK-UHFFFAOYSA-N 0 3 237.307 0.010 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C ZINC000134541327 364405841 /nfs/dbraw/zinc/40/58/41/364405841.db2.gz VBRLHCIFCHPGEM-IVZWLZJFSA-N 0 3 214.309 0.667 20 0 BCADHN CN(C)CCn1cc(C(=O)NCC2CC2)cn1 ZINC000630642271 364371857 /nfs/dbraw/zinc/37/18/57/364371857.db2.gz BGPFYDGLIFFJPW-UHFFFAOYSA-N 0 3 236.319 0.585 20 0 BCADHN C[C@H](N[C@@H]1CCO[C@H]1C)C(=O)N(C)C ZINC000133978257 364381170 /nfs/dbraw/zinc/38/11/70/364381170.db2.gz FQVKNLPNCCZKJU-XHNCKOQMSA-N 0 3 200.282 0.230 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@H]1CCO[C@H]1C ZINC000134257847 364397475 /nfs/dbraw/zinc/39/74/75/364397475.db2.gz NFLIJWUOVKEWMS-CIUDSAMLSA-N 0 3 232.349 0.360 20 0 BCADHN Cc1ncsc1CNCCCOCCO ZINC000134668057 364409883 /nfs/dbraw/zinc/40/98/83/364409883.db2.gz LFIMVSYUPSMPLK-UHFFFAOYSA-N 0 3 230.333 0.940 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)N[C@@H](C)CC(N)=O ZINC000134583408 541358749 /nfs/dbraw/zinc/35/87/49/541358749.db2.gz AUBUZGKVGYNWSX-NKWVEPMBSA-N 0 3 210.281 0.633 20 0 BCADHN CCN1CCCN(CC(OC)OC)CC1 ZINC000136756542 364489330 /nfs/dbraw/zinc/48/93/30/364489330.db2.gz MKIFKLJWECSAOW-UHFFFAOYSA-N 0 3 216.325 0.633 20 0 BCADHN C[C@@H](CNC(=O)C1CSC1)N(C)C ZINC000630715219 364492864 /nfs/dbraw/zinc/49/28/64/364492864.db2.gz DNXZHNJCYRRYDT-ZETCQYMHSA-N 0 3 202.323 0.416 20 0 BCADHN C[C@H](CNC(=O)c1cc2ncccn2n1)N(C)C ZINC000630715508 364492950 /nfs/dbraw/zinc/49/29/50/364492950.db2.gz GVSWWYRADWVOQM-SECBINFHSA-N 0 3 247.302 0.409 20 0 BCADHN Cc1conc1C(=O)NC[C@@H](C)N(C)C ZINC000630715196 364492990 /nfs/dbraw/zinc/49/29/90/364492990.db2.gz DDALGESGLPOCDD-MRVPVSSYSA-N 0 3 211.265 0.663 20 0 BCADHN C[C@@H](CNC(=O)c1csc(CO)n1)N(C)C ZINC000630717165 364495568 /nfs/dbraw/zinc/49/55/68/364495568.db2.gz VIIAQTYDDIEFLT-ZETCQYMHSA-N 0 3 243.332 0.315 20 0 BCADHN CCc1nn(C)cc1CNCCCOCCO ZINC000227331431 541369723 /nfs/dbraw/zinc/36/97/23/541369723.db2.gz RKXSNHFLMPIJLO-UHFFFAOYSA-N 0 3 241.335 0.471 20 0 BCADHN CC[C@H](O)CN1CCN2CCCC[C@H]2C1 ZINC000246421240 364594254 /nfs/dbraw/zinc/59/42/54/364594254.db2.gz FZDHDAYZLYJYNJ-RYUDHWBXSA-N 0 3 212.337 0.927 20 0 BCADHN CN1CC[C@@]2(CCN(C(=O)[C@@H](O)C3CC3)C2)C1 ZINC000615204027 364625496 /nfs/dbraw/zinc/62/54/96/364625496.db2.gz QHHYFJIJCHFWAD-WCQYABFASA-N 0 3 238.331 0.312 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C1 ZINC000615182539 364607794 /nfs/dbraw/zinc/60/77/94/364607794.db2.gz KIWNTUAGIKVRNH-PREPNJAASA-N 0 3 236.315 0.041 20 0 BCADHN C[C@H](N[C@H]1CCN(C)C1=O)[C@H]1CCCO1 ZINC000247108894 364618670 /nfs/dbraw/zinc/61/86/70/364618670.db2.gz FRNQYINNPBXWRJ-LPEHRKFASA-N 0 3 212.293 0.374 20 0 BCADHN C[C@@H]1[C@H](N(C)C)CCN1C(=O)C1CC(=O)C1 ZINC000615314200 364687855 /nfs/dbraw/zinc/68/78/55/364687855.db2.gz LRDUYOPIANGPMR-LDYMZIIASA-N 0 3 224.304 0.517 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H]1C[C@H](C)O ZINC000252699063 364671450 /nfs/dbraw/zinc/67/14/50/364671450.db2.gz QRDYMDGMIVDGPJ-LPEHRKFASA-N 0 3 214.309 0.486 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H]1C[C@@H](C)O ZINC000252699062 364671550 /nfs/dbraw/zinc/67/15/50/364671550.db2.gz QRDYMDGMIVDGPJ-KXUCPTDWSA-N 0 3 214.309 0.486 20 0 BCADHN CCC[C@H](OCC)C(=O)N[C@H](CO)CN(C)C ZINC000627275495 364673951 /nfs/dbraw/zinc/67/39/51/364673951.db2.gz LSWKLBAXNMJYCV-QWRGUYRKSA-N 0 3 246.351 0.230 20 0 BCADHN CCO[C@H](C(=O)N[C@H](CO)CN(C)C)C(C)C ZINC000627275645 364675167 /nfs/dbraw/zinc/67/51/67/364675167.db2.gz OEFPUAJRMMCMMV-QWRGUYRKSA-N 0 3 246.351 0.086 20 0 BCADHN CC(=O)C1(C(=O)N2CC[C@H](N(C)C)[C@H]2C)CC1 ZINC000615302924 364682435 /nfs/dbraw/zinc/68/24/35/364682435.db2.gz ORNMDWKZHCCNQV-KOLCDFICSA-N 0 3 238.331 0.907 20 0 BCADHN COc1cc(CNC[C@@]2(O)CCOC2)sn1 ZINC000399035821 364737299 /nfs/dbraw/zinc/73/72/99/364737299.db2.gz ACECVMMEIAJYMJ-JTQLQIEISA-N 0 3 244.316 0.393 20 0 BCADHN COc1ncccc1CN[C@H](C)[C@H](C)O ZINC000087128175 364752234 /nfs/dbraw/zinc/75/22/34/364752234.db2.gz XWSLTILAGIZZDI-BDAKNGLRSA-N 0 3 210.277 0.949 20 0 BCADHN C[C@H](CNC[C@H]1CCCO1)S(C)(=O)=O ZINC000167701984 364804601 /nfs/dbraw/zinc/80/46/01/364804601.db2.gz AXWWAVHQPXEQMM-RKDXNWHRSA-N 0 3 221.322 0.188 20 0 BCADHN Cc1ncc(CN[C@H]2CCCOC2)n1C ZINC000573339229 364804856 /nfs/dbraw/zinc/80/48/56/364804856.db2.gz JQAZZPGGPNVJKJ-JTQLQIEISA-N 0 3 209.293 0.997 20 0 BCADHN 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/nfs/dbraw/zinc/14/03/17/367140317.db2.gz KIUAFTCAIPZQTA-SFYZADRCSA-N 0 3 213.281 0.302 20 0 BCADHN CC1(C)[C@H](NC(=O)[C@@H]2C[C@@H]2N)[C@H]2CCO[C@H]21 ZINC000579942306 367092168 /nfs/dbraw/zinc/09/21/68/367092168.db2.gz WDLFJDFGZCIUMV-HOTMZDKISA-N 0 3 224.304 0.263 20 0 BCADHN Cn1cncc1CN1CCNC[C@H]1C(F)F ZINC000579952879 367099426 /nfs/dbraw/zinc/09/94/26/367099426.db2.gz SSJPRIGXOPSKGW-VIFPVBQESA-N 0 3 230.262 0.459 20 0 BCADHN CCC[C@H](C)[C@H](CO)NCC(=O)NC1CC1 ZINC000579957496 367103594 /nfs/dbraw/zinc/10/35/94/367103594.db2.gz CJVUYNLCSSVTHV-ONGXEEELSA-N 0 3 228.336 0.652 20 0 BCADHN CSC[C@@H](O)CNC(C)(C)C(=O)N(C)C ZINC000380298672 367173849 /nfs/dbraw/zinc/17/38/49/367173849.db2.gz DEQAZPUUQHITLL-QMMMGPOBSA-N 0 3 234.365 0.167 20 0 BCADHN O=C(NCCNc1ccncc1)[C@@H]1CCC(=O)C1 ZINC000580717556 367149235 /nfs/dbraw/zinc/14/92/35/367149235.db2.gz ZXWFDUXFCINOMH-SNVBAGLBSA-N 0 3 247.298 0.401 20 0 BCADHN OCCC1CCN(CCn2cccn2)CC1 ZINC000380458165 367212049 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/nfs/dbraw/zinc/35/50/99/367355099.db2.gz BKZQIQPGGXTFNY-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN CCN(C)CCNC(=O)NCCCC(=O)OC ZINC000194835919 367323862 /nfs/dbraw/zinc/32/38/62/367323862.db2.gz HPMVBPPNKHFYSN-UHFFFAOYSA-N 0 3 245.323 0.191 20 0 BCADHN COc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])c([O-])c1 ZINC000381416240 367397636 /nfs/dbraw/zinc/39/76/36/367397636.db2.gz ZIKAGQILKGQWAH-HTQZYQBOSA-N 0 3 238.287 0.866 20 0 BCADHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@H](C)C(N)=O ZINC000381484741 367416761 /nfs/dbraw/zinc/41/67/61/367416761.db2.gz UTLDCRJQXXFILX-HLTSFMKQSA-N 0 3 228.292 0.182 20 0 BCADHN C[C@H]1COCCN1C1CCN(CCO)CC1 ZINC000581467086 367494904 /nfs/dbraw/zinc/49/49/04/367494904.db2.gz ZIUOPQKFDGLBHI-NSHDSACASA-N 0 3 228.336 0.164 20 0 BCADHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000381668692 367445863 /nfs/dbraw/zinc/44/58/63/367445863.db2.gz BONGBVKPEHXZQG-BQBZGAKWSA-N 0 3 247.295 0.235 20 0 BCADHN C[C@H]1OCC[C@H]1N[C@@H]1CCN(C2CC2)C1=O ZINC000382193244 367496149 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/nfs/dbraw/zinc/55/90/96/367559096.db2.gz LBQSOGNTYBSWCO-SNVBAGLBSA-N 0 3 230.352 0.994 20 0 BCADHN COCCCN(C)C(=O)[C@H](C)NC1CC1 ZINC000382933858 367570200 /nfs/dbraw/zinc/57/02/00/367570200.db2.gz GPGWLVRGVFUQHU-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN COC[C@H]1CCN(C(=O)[C@@H](C)NC2CC2)C1 ZINC000382932764 367570216 /nfs/dbraw/zinc/57/02/16/367570216.db2.gz GIFTZVFOOPPIHR-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@@H]1CCN(C(=O)[C@@H](C)NC2CC2)C1 ZINC000382932761 367570313 /nfs/dbraw/zinc/57/03/13/367570313.db2.gz GIFTZVFOOPPIHR-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@H](COC)NC(=O)[C@H](C)NC1CC1 ZINC000382952254 367571623 /nfs/dbraw/zinc/57/16/23/367571623.db2.gz LZSKMSCQJNNKBC-DTWKUNHWSA-N 0 3 214.309 0.668 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000382940699 367572083 /nfs/dbraw/zinc/57/20/83/367572083.db2.gz IPFNEDGNTBJBFG-MIMYLULJSA-N 0 3 226.320 0.547 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000382977252 367578158 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/nfs/dbraw/zinc/59/18/80/367591880.db2.gz UPMXNDADLCTHHI-SNVBAGLBSA-N 0 3 249.318 0.044 20 0 BCADHN COC[C@H](C)N(C)C(=O)[C@@H](C)NC1CC1 ZINC000383450428 367623519 /nfs/dbraw/zinc/62/35/19/367623519.db2.gz ZLQYQPSRXHVGSX-DTWKUNHWSA-N 0 3 214.309 0.620 20 0 BCADHN CCn1nncc1CNC[C@]1(O)CCC[C@H]1C ZINC000581597582 367623534 /nfs/dbraw/zinc/62/35/34/367623534.db2.gz DFJPCIPADQUNFZ-ZYHUDNBSSA-N 0 3 238.335 0.939 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000383303929 367612445 /nfs/dbraw/zinc/61/24/45/367612445.db2.gz HVRKIVVRPCKYSV-NHCYSSNCSA-N 0 3 240.347 0.794 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000383303928 367612621 /nfs/dbraw/zinc/61/26/21/367612621.db2.gz HVRKIVVRPCKYSV-JBLDHEPKSA-N 0 3 240.347 0.794 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC[C@H](C)S(C)(=O)=O ZINC000581608204 367632112 /nfs/dbraw/zinc/63/21/12/367632112.db2.gz PZOIMCWXVZIKPX-GUBZILKMSA-N 0 3 237.365 0.416 20 0 BCADHN CCC1(O)CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000581673758 367703208 /nfs/dbraw/zinc/70/32/08/367703208.db2.gz KAATZPJHPPRAOQ-LLVKDONJSA-N 0 3 240.347 0.877 20 0 BCADHN CC(C)n1cc(NC(=O)[C@H]2CCN2)cn1 ZINC000384810324 367735203 /nfs/dbraw/zinc/73/52/03/367735203.db2.gz FGJJZPDDIMLDIH-SECBINFHSA-N 0 3 208.265 0.764 20 0 BCADHN O=C(Nc1ccc(-n2cccn2)nc1)[C@H]1CCN1 ZINC000384810270 367735836 /nfs/dbraw/zinc/73/58/36/367735836.db2.gz FELICNMFJKWLAM-SNVBAGLBSA-N 0 3 243.270 0.568 20 0 BCADHN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCN1 ZINC000384813670 367736790 /nfs/dbraw/zinc/73/67/90/367736790.db2.gz HUQBDYAHKVDIJC-MRVPVSSYSA-N 0 3 220.228 0.716 20 0 BCADHN NC(=O)Cc1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000384834500 367740144 /nfs/dbraw/zinc/74/01/44/367740144.db2.gz NGTVGXVHUINFAH-SNVBAGLBSA-N 0 3 233.271 0.015 20 0 BCADHN COCCOCCN1CCC[C@H](O)[C@@H]1C ZINC000384838757 367740164 /nfs/dbraw/zinc/74/01/64/367740164.db2.gz IKGBMVYBWGFDCF-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN C/C=C\CN[C@@H](C)CS(=O)(=O)CC ZINC000384857949 367744431 /nfs/dbraw/zinc/74/44/31/367744431.db2.gz MHBOIOJVAZFDCU-RNEXMXFGSA-N 0 3 205.323 0.975 20 0 BCADHN CCSCCNC(COC)COC ZINC000385024131 367774232 /nfs/dbraw/zinc/77/42/32/367774232.db2.gz IWDLQNAHEHOIOS-UHFFFAOYSA-N 0 3 207.339 0.991 20 0 BCADHN OCc1ccc(CNC[C@@H]2CCOC2)o1 ZINC000081555325 370893088 /nfs/dbraw/zinc/89/30/88/370893088.db2.gz SSJPMSFRDQCURU-VIFPVBQESA-N 0 3 211.261 0.898 20 0 BCADHN CCC(C)(C)NC(=O)CN1CC[C@H](CO)[C@H]1C ZINC000385714100 367857094 /nfs/dbraw/zinc/85/70/94/367857094.db2.gz RIYAFENNUMFVCC-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN CCN(C)CCNC(=O)[C@H](N)c1cscn1 ZINC000566176795 326007457 /nfs/dbraw/zinc/00/74/57/326007457.db2.gz VABXIFOPHPLSIX-SECBINFHSA-N 0 3 242.348 0.211 20 0 BCADHN CCN(C)C(=O)CN[C@H](CO)C1CCCCC1 ZINC000386123266 367915834 /nfs/dbraw/zinc/91/58/34/367915834.db2.gz COBBJRCHGOWQBT-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)[C@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000087613567 367918352 /nfs/dbraw/zinc/91/83/52/367918352.db2.gz DFDMLUCTDCTVKX-QWRGUYRKSA-N 0 3 227.352 0.380 20 0 BCADHN 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225.296 0.106 20 0 BCADHN CN1CCC(C(=O)NCCC2(CO)CC2)CC1 ZINC000622652314 371038486 /nfs/dbraw/zinc/03/84/86/371038486.db2.gz JDLWVKHWVONOMY-UHFFFAOYSA-N 0 3 240.347 0.607 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@]1(C)CCC(=O)N1 ZINC000622679358 371056466 /nfs/dbraw/zinc/05/64/66/371056466.db2.gz VHMMSGMDDRPDEA-GFCCVEGCSA-N 0 3 241.335 0.112 20 0 BCADHN CCCCOC[C@H](O)CNCc1cncn1C ZINC000388500893 371071267 /nfs/dbraw/zinc/07/12/67/371071267.db2.gz MAEQCWLWEXYDSU-GFCCVEGCSA-N 0 3 241.335 0.687 20 0 BCADHN CN(C)c1ncc(CNC[C@H]2C[C@@H](O)C2)cn1 ZINC000623750368 371080087 /nfs/dbraw/zinc/08/00/87/371080087.db2.gz FALDHGWEVOXKSO-JGZJWPJOSA-N 0 3 236.319 0.403 20 0 BCADHN CCn1ccnc1CNCCN1CC[C@@H](O)C1 ZINC000623758275 371083141 /nfs/dbraw/zinc/08/31/41/371083141.db2.gz VJXPUDVNUVYZRG-LLVKDONJSA-N 0 3 238.335 0.059 20 0 BCADHN O[C@@H]1CCN(CCNCc2ccc(F)cc2)C1 ZINC000623756982 371083344 /nfs/dbraw/zinc/08/33/44/371083344.db2.gz LKMSXQWUEXPCPX-CYBMUJFWSA-N 0 3 238.306 0.982 20 0 BCADHN COc1ncncc1CNCC1COC1 ZINC000623761665 371084960 /nfs/dbraw/zinc/08/49/60/371084960.db2.gz JAHUUPUKUIQXQP-UHFFFAOYSA-N 0 3 209.249 0.221 20 0 BCADHN CC(C)n1nccc1CN[C@@H]1CCOC[C@H]1O ZINC000623766301 371086399 /nfs/dbraw/zinc/08/63/99/371086399.db2.gz DDQGMGKCHHSNPR-VXGBXAGGSA-N 0 3 239.319 0.703 20 0 BCADHN COCCc1ncc(CN[C@H](C)CO)s1 ZINC000631048969 371087445 /nfs/dbraw/zinc/08/74/45/371087445.db2.gz CCKANNQZZGLFTP-MRVPVSSYSA-N 0 3 230.333 0.802 20 0 BCADHN Cc1ccc([C@@H](C)Nc2nc(N)nc(N)n2)cc1 ZINC000623875906 371136967 /nfs/dbraw/zinc/13/69/67/371136967.db2.gz APLUBRTYWWDTNE-MRVPVSSYSA-N 0 3 244.302 0.600 20 0 BCADHN O=C([C@H]1Cc2ccccc2O1)N1CCCNCC1 ZINC000019403531 371139949 /nfs/dbraw/zinc/13/99/49/371139949.db2.gz KSNWECIWDYQCOV-CYBMUJFWSA-N 0 3 246.310 0.812 20 0 BCADHN C[C@@H](c1ccccc1)N(C)c1nc(N)nc(N)n1 ZINC000623805975 371101549 /nfs/dbraw/zinc/10/15/49/371101549.db2.gz NLSFPGAZGLPNDA-QMMMGPOBSA-N 0 3 244.302 0.894 20 0 BCADHN CO[C@H]1C[C@@H](CNCc2ccn(C)n2)C1 ZINC000623823345 371111890 /nfs/dbraw/zinc/11/18/90/371111890.db2.gz XWEJRUNGVRECRZ-JGZJWPJOSA-N 0 3 209.293 0.935 20 0 BCADHN Cn1cccc1CNCCN1CC[C@H](O)C1 ZINC000623836966 371119567 /nfs/dbraw/zinc/11/95/67/371119567.db2.gz RPCYJFMVWQPDDY-LBPRGKRZSA-N 0 3 223.320 0.181 20 0 BCADHN C[C@@H]1CCCC[C@H]1N(C)c1nc(N)nc(N)n1 ZINC000623842173 371123574 /nfs/dbraw/zinc/12/35/74/371123574.db2.gz GUYFURDJLGDKST-HTQZYQBOSA-N 0 3 236.323 0.712 20 0 BCADHN C[C@H]1CCC[C@H](N(C)c2nc(N)nc(N)n2)C1 ZINC000623847741 371125348 /nfs/dbraw/zinc/12/53/48/371125348.db2.gz XPUOKLROSLUUJA-YUMQZZPRSA-N 0 3 236.323 0.712 20 0 BCADHN C[C@@H]1CCC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000623848036 371126064 /nfs/dbraw/zinc/12/60/64/371126064.db2.gz COKAVWAOGFNKLP-RQJHMYQMSA-N 0 3 222.296 0.109 20 0 BCADHN CC(C)[C@H](C)N(C)c1nc(N)nc(N)n1 ZINC000623851909 371128334 /nfs/dbraw/zinc/12/83/34/371128334.db2.gz LCFDISNSBQGWBU-LURJTMIESA-N 0 3 210.285 0.177 20 0 BCADHN C[C@@H](Cn1ccnc1)NC[C@H](C)S(C)(=O)=O ZINC000569095661 326389519 /nfs/dbraw/zinc/38/95/19/326389519.db2.gz VEONNEVHOQREBH-UWVGGRQHSA-N 0 3 245.348 0.294 20 0 BCADHN COC(=O)CCN1CCC(OCCCO)CC1 ZINC000154943610 371186221 /nfs/dbraw/zinc/18/62/21/371186221.db2.gz FNAFLLLCDFYCLN-UHFFFAOYSA-N 0 3 245.319 0.413 20 0 BCADHN CC1(C)CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623992322 371226833 /nfs/dbraw/zinc/22/68/33/371226833.db2.gz LBNLSVSWZNJRGX-UHFFFAOYSA-N 0 3 236.323 0.499 20 0 BCADHN CC[C@H](COC)NC(=O)NC1CCN(C)CC1 ZINC000155215305 371206232 /nfs/dbraw/zinc/20/62/32/371206232.db2.gz DXSJOOMETBMKKT-SNVBAGLBSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H](CNC(=O)COCC(F)F)N(C)C ZINC000623975911 371210691 /nfs/dbraw/zinc/21/06/91/371210691.db2.gz SVDBCIOPDVUILQ-SSDOTTSWSA-N 0 3 224.251 0.334 20 0 BCADHN CCn1cc(C(=O)NC[C@@H](C)N(C)C)c(C)n1 ZINC000623975775 371210847 /nfs/dbraw/zinc/21/08/47/371210847.db2.gz PMGHWEOYRJDVTL-SECBINFHSA-N 0 3 238.335 0.891 20 0 BCADHN CCn1nncc1CN[C@@H]1CCCOC1 ZINC000624026565 371257891 /nfs/dbraw/zinc/25/78/91/371257891.db2.gz FDVZGBLTDZPHEA-SECBINFHSA-N 0 3 210.281 0.567 20 0 BCADHN CCC1(CNc2nc(N)nc(N)n2)CCC1 ZINC000624026629 371258201 /nfs/dbraw/zinc/25/82/01/371258201.db2.gz KIRCDLFJPWSKSQ-UHFFFAOYSA-N 0 3 222.296 0.111 20 0 BCADHN CC(C)[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624030321 371260035 /nfs/dbraw/zinc/26/00/35/371260035.db2.gz SIHFZJFXBDKJJX-SSDOTTSWSA-N 0 3 222.296 0.179 20 0 BCADHN C[C@@H](N[C@@H]1COC[C@H]1O)[C@H]1CCCCO1 ZINC000623996045 371229680 /nfs/dbraw/zinc/22/96/80/371229680.db2.gz QYTHGJRBINABNO-GWOFURMSSA-N 0 3 215.293 0.293 20 0 BCADHN CC[C@@H](C)C[C@H](C)Nc1nc(N)nc(N)n1 ZINC000624001475 371230666 /nfs/dbraw/zinc/23/06/66/371230666.db2.gz CFNMJVVUGZWGMS-RQJHMYQMSA-N 0 3 224.312 0.355 20 0 BCADHN Nc1nc(N)nc(N2CCC[C@@H]3CCC[C@H]32)n1 ZINC000623998650 371230823 /nfs/dbraw/zinc/23/08/23/371230823.db2.gz YQASWNTUEDYHFW-JGVFFNPUSA-N 0 3 234.307 0.466 20 0 BCADHN COCCC[C@@H](C)N[C@@H](CO)c1ccnn1C ZINC000624020465 371253917 /nfs/dbraw/zinc/25/39/17/371253917.db2.gz OKCIXUFKYBRQTF-MNOVXSKESA-N 0 3 241.335 0.858 20 0 BCADHN CCCC[C@H](CCC)Nc1nc(N)nc(N)n1 ZINC000624022337 371255414 /nfs/dbraw/zinc/25/54/14/371255414.db2.gz LMGFCXJDNBEKEP-QMMMGPOBSA-N 0 3 238.339 0.889 20 0 BCADHN NCC(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000572764715 326409511 /nfs/dbraw/zinc/40/95/11/326409511.db2.gz IEEFJJOZUBIPFT-JTQLQIEISA-N 0 3 212.293 0.220 20 0 BCADHN CCn1cc([C@H](C)N[C@H]2C[C@H](C(N)=O)C2)cn1 ZINC000624130172 371330465 /nfs/dbraw/zinc/33/04/65/371330465.db2.gz GOWYAWHJLPFTBJ-QXEWZRGKSA-N 0 3 236.319 0.818 20 0 BCADHN CC[C@@H]1[C@H](C)CCN1c1nc(N)nc(N)n1 ZINC000624112043 371317047 /nfs/dbraw/zinc/31/70/47/371317047.db2.gz LLMQEZJMEPHVQH-RNFRBKRXSA-N 0 3 222.296 0.322 20 0 BCADHN C[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1cnn(C)c1 ZINC000624130049 371331285 /nfs/dbraw/zinc/33/12/85/371331285.db2.gz CCIGFFKDOMNPNK-NRPADANISA-N 0 3 222.292 0.335 20 0 BCADHN Nc1nc(N)nc(N2CC3(C2)CCCC3)n1 ZINC000624119992 371319844 /nfs/dbraw/zinc/31/98/44/371319844.db2.gz OIIZHKLBULZAEG-UHFFFAOYSA-N 0 3 220.280 0.077 20 0 BCADHN C[C@H]1CCSCCN1c1nc(N)nc(N)n1 ZINC000624155149 371350792 /nfs/dbraw/zinc/35/07/92/371350792.db2.gz IACHPXKVPFWAMY-LURJTMIESA-N 0 3 240.336 0.029 20 0 BCADHN C[C@@H]1CCSCCN1c1nc(N)nc(N)n1 ZINC000624155150 371351167 /nfs/dbraw/zinc/35/11/67/371351167.db2.gz IACHPXKVPFWAMY-ZCFIWIBFSA-N 0 3 240.336 0.029 20 0 BCADHN C[C@@H]1CC2(CCC2)CN1c1nc(N)nc(N)n1 ZINC000624158534 371352992 /nfs/dbraw/zinc/35/29/92/371352992.db2.gz DJXLMSYWVWMVKP-SSDOTTSWSA-N 0 3 234.307 0.466 20 0 BCADHN C[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1cccnc1 ZINC000624131048 371332693 /nfs/dbraw/zinc/33/26/93/371332693.db2.gz DXVIKRHYUSSKTE-LSJOCFKGSA-N 0 3 219.288 0.996 20 0 BCADHN Cc1ncncc1[C@@H](C)N[C@H]1C[C@H](C(N)=O)C1 ZINC000624133021 371335318 /nfs/dbraw/zinc/33/53/18/371335318.db2.gz GFFDVPDYCWKDAI-OPRDCNLKSA-N 0 3 234.303 0.700 20 0 BCADHN C[C@@H]1CCC[C@H](Nc2nc(N)nc(N)n2)CC1 ZINC000624145959 371339930 /nfs/dbraw/zinc/33/99/30/371339930.db2.gz MRXLUJFLHRWICT-SFYZADRCSA-N 0 3 236.323 0.499 20 0 BCADHN CC(C)C(CNc1nc(N)nc(N)n1)C(C)C ZINC000624150786 371348569 /nfs/dbraw/zinc/34/85/69/371348569.db2.gz YYXYKLAZFFPUEU-UHFFFAOYSA-N 0 3 238.339 0.459 20 0 BCADHN C[C@H](NCCN1CC[C@@H](O)C1)c1ccncc1 ZINC000624229226 371417502 /nfs/dbraw/zinc/41/75/02/371417502.db2.gz QGQHUKKJOFTKDE-WCQYABFASA-N 0 3 235.331 0.799 20 0 BCADHN CC1=C(C)CN(c2nc(N)nc(N)n2)CC1 ZINC000624179014 371370598 /nfs/dbraw/zinc/37/05/98/371370598.db2.gz IWKNBNWGKPXQEC-UHFFFAOYSA-N 0 3 220.280 0.243 20 0 BCADHN C[C@@H](NCCN1CC[C@H](O)C1)c1cn[nH]c1 ZINC000624337560 371486580 /nfs/dbraw/zinc/48/65/80/371486580.db2.gz LHOOISYRBNQLKC-KOLCDFICSA-N 0 3 224.308 0.127 20 0 BCADHN C[C@H](NCCN1CC[C@H](O)C1)c1ccnn1C ZINC000624338206 371488309 /nfs/dbraw/zinc/48/83/09/371488309.db2.gz UBUFWXBWSUWODC-QWRGUYRKSA-N 0 3 238.335 0.137 20 0 BCADHN CC[C@@H]1CC[C@H](C)N(c2nc(N)nc(N)n2)C1 ZINC000624262933 371450312 /nfs/dbraw/zinc/45/03/12/371450312.db2.gz ZZMPTEIVYZYWES-JGVFFNPUSA-N 0 3 236.323 0.712 20 0 BCADHN C[C@H]1[C@@H](C)N(c2nc(N)nc(N)n2)C[C@H]1C ZINC000624286682 371458698 /nfs/dbraw/zinc/45/86/98/371458698.db2.gz BLTJRTZVELDOOA-FSDSQADBSA-N 0 3 222.296 0.177 20 0 BCADHN C[C@@H]1CCN(c2nc(N)nc(N)n2)[C@H](C)C1 ZINC000624295998 371462278 /nfs/dbraw/zinc/46/22/78/371462278.db2.gz NMLFZVNTGMTBEZ-RNFRBKRXSA-N 0 3 222.296 0.322 20 0 BCADHN CO[C@H]1C[C@H](N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000624298316 371464385 /nfs/dbraw/zinc/46/43/85/371464385.db2.gz QAHKJMPQTGHZRD-GUBZILKMSA-N 0 3 233.333 0.331 20 0 BCADHN CO[C@H]1C[C@H](N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000624298317 371465088 /nfs/dbraw/zinc/46/50/88/371465088.db2.gz QAHKJMPQTGHZRD-OPRDCNLKSA-N 0 3 233.333 0.331 20 0 BCADHN CCCCN(CCOC)C(=O)[C@H](CN)OC ZINC000352951844 168815588 /nfs/dbraw/zinc/81/55/88/168815588.db2.gz HAFOIIZZYMSAJC-JTQLQIEISA-N 0 3 232.324 0.235 20 0 BCADHN COC(C)(C)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000170978094 371544390 /nfs/dbraw/zinc/54/43/90/371544390.db2.gz PYLOKSUFSGXWGQ-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CN(C1CNC1)S(=O)(=O)CCC(F)(F)F ZINC000624365920 371493595 /nfs/dbraw/zinc/49/35/95/371493595.db2.gz KCPJHLGKRQFLGE-UHFFFAOYSA-N 0 3 246.254 0.172 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NCC2COC2)C1 ZINC000624380535 371496339 /nfs/dbraw/zinc/49/63/39/371496339.db2.gz JVEANBJWCZUFAO-LLVKDONJSA-N 0 3 241.335 0.416 20 0 BCADHN COc1cncc(CN[C@@H](C)CO)c1C ZINC000631080512 371496795 /nfs/dbraw/zinc/49/67/95/371496795.db2.gz YLQAVEMLJUDEGG-QMMMGPOBSA-N 0 3 210.277 0.869 20 0 BCADHN CNc1cnc(C(=O)NC[C@H]2CCCN2C)cn1 ZINC000226133608 371611524 /nfs/dbraw/zinc/61/15/24/371611524.db2.gz LZCXBCBOEMGWHA-SECBINFHSA-N 0 3 249.318 0.342 20 0 BCADHN COC1CC(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)C1 ZINC000627488298 371654184 /nfs/dbraw/zinc/65/41/84/371654184.db2.gz VQBPCZNWVJZOMU-HBIQZDMRSA-N 0 3 238.331 0.574 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)COCC(F)F)C1 ZINC000627488010 371654596 /nfs/dbraw/zinc/65/45/96/371654596.db2.gz PDBHIFCKOAQTGL-IUCAKERBSA-N 0 3 248.273 0.431 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@H](CCO)C1 ZINC000216196566 371717905 /nfs/dbraw/zinc/71/79/05/371717905.db2.gz OGOYDVNRNOGGIA-UWVGGRQHSA-N 0 3 214.309 0.345 20 0 BCADHN COCC1(NCc2cnnn2C)CCCC1 ZINC000573138992 326431829 /nfs/dbraw/zinc/43/18/29/326431829.db2.gz XYJDSWTWEHMLBW-UHFFFAOYSA-N 0 3 224.308 0.864 20 0 BCADHN CC(C)(C)OC(=O)Cn1cc(CN)nn1 ZINC000132081431 371750317 /nfs/dbraw/zinc/75/03/17/371750317.db2.gz YEOYIADOYFTRFJ-UHFFFAOYSA-N 0 3 212.253 0.079 20 0 BCADHN CCN(C(=O)[C@H]1CCOC1)C1CCN(C)CC1 ZINC000627619418 371785634 /nfs/dbraw/zinc/78/56/34/371785634.db2.gz GPRZRGJAALZYAS-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN O=C1C[C@H](NCc2ccc(=O)[nH]c2)CN1C1CC1 ZINC000631082925 371799359 /nfs/dbraw/zinc/79/93/59/371799359.db2.gz KZEWQLCLFJLGTA-JTQLQIEISA-N 0 3 247.298 0.640 20 0 BCADHN CNc1cnc(C(=O)NCCN(C)C2CC2)cn1 ZINC000230105065 371849294 /nfs/dbraw/zinc/84/92/94/371849294.db2.gz SMVQXUNQASBMQP-UHFFFAOYSA-N 0 3 249.318 0.342 20 0 BCADHN COC[C@@H](O)CN[C@@](C)(CO)c1ccccc1 ZINC000227530845 371885869 /nfs/dbraw/zinc/88/58/69/371885869.db2.gz USAZPVIOIKSBJJ-STQMWFEESA-N 0 3 239.315 0.491 20 0 BCADHN CCN1CCC(NC(=O)N[C@@H](C)CO)CC1 ZINC000305061666 371874591 /nfs/dbraw/zinc/87/45/91/371874591.db2.gz GIRJGSCZGXKTLK-VIFPVBQESA-N 0 3 229.324 0.151 20 0 BCADHN CN(C)C1(CNC(=O)COCC(F)F)CC1 ZINC000627777511 371969237 /nfs/dbraw/zinc/96/92/37/371969237.db2.gz DWUXLCIUUAKLOT-UHFFFAOYSA-N 0 3 236.262 0.479 20 0 BCADHN CC[C@H]1CN(C[C@](C)(O)C(=O)OC)CCS1 ZINC000163189410 371947936 /nfs/dbraw/zinc/94/79/36/371947936.db2.gz PHYQZHXYVNIBTC-ONGXEEELSA-N 0 3 247.360 0.738 20 0 BCADHN Cn1nc2c(c1CN[C@H]1C[C@@H](O)C1)CCCC2 ZINC000631153958 372210611 /nfs/dbraw/zinc/21/06/11/372210611.db2.gz AVEHMCPAWAMWDS-AOOOYVTPSA-N 0 3 235.331 0.912 20 0 BCADHN Cc1cc(CN[C@@H]2CCc3nnnn3CC2)on1 ZINC000631161773 372211479 /nfs/dbraw/zinc/21/14/79/372211479.db2.gz UVMUPPUAQVAMLA-SECBINFHSA-N 0 3 248.290 0.464 20 0 BCADHN COCCc1ncc(CN[C@H]2C[C@@H](O)C2)s1 ZINC000631155408 372211822 /nfs/dbraw/zinc/21/18/22/372211822.db2.gz 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ZINC000355165416 182055704 /nfs/dbraw/zinc/05/57/04/182055704.db2.gz RCCOSQXKVSDSBC-GFCCVEGCSA-N 0 3 245.326 0.977 20 0 BCADHN CC(C)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000068775568 373059354 /nfs/dbraw/zinc/05/93/54/373059354.db2.gz YWPULNTZXNERCY-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN O=C(C1CSC1)N1CCN2CCC1CC2 ZINC000632715046 373088481 /nfs/dbraw/zinc/08/84/81/373088481.db2.gz NBQNCMAUUMSVCZ-UHFFFAOYSA-N 0 3 226.345 0.656 20 0 BCADHN O=C(CCc1cn[nH]n1)NCCN1CC=CCC1 ZINC000632808925 373156383 /nfs/dbraw/zinc/15/63/83/373156383.db2.gz YHUTXFSUHZYUPQ-UHFFFAOYSA-N 0 3 249.318 0.115 20 0 BCADHN O=C(CCc1c[nH]nn1)NCCN1CC=CCC1 ZINC000632808925 373156393 /nfs/dbraw/zinc/15/63/93/373156393.db2.gz YHUTXFSUHZYUPQ-UHFFFAOYSA-N 0 3 249.318 0.115 20 0 BCADHN O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1CCCN1 ZINC000073340572 182084319 /nfs/dbraw/zinc/08/43/19/182084319.db2.gz JENQNDNFCMNGNL-SNVBAGLBSA-N 0 3 230.271 0.675 20 0 BCADHN O=C(N1CC[C@@H](N2CCCC2)C1)C1(O)CCC1 ZINC000370324745 182082664 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/nfs/dbraw/zinc/07/36/06/183073606.db2.gz YVMUXZVZIGGUOG-UHFFFAOYSA-N 0 3 239.294 0.725 20 0 BCADHN OCCN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375430534 183076526 /nfs/dbraw/zinc/07/65/26/183076526.db2.gz BKIPDXGXDXOMRD-VIFPVBQESA-N 0 3 223.276 0.729 20 0 BCADHN OCCN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000375962788 183077672 /nfs/dbraw/zinc/07/76/72/183077672.db2.gz PFTGKVDSNVFUCE-LBPRGKRZSA-N 0 3 225.263 0.711 20 0 BCADHN OCCOCCN[C@@H](CO)c1cccc(F)c1 ZINC000359630159 183083669 /nfs/dbraw/zinc/08/36/69/183083669.db2.gz XRBQHRPPLLRDAV-LBPRGKRZSA-N 0 3 243.278 0.458 20 0 BCADHN OCCOCCN[C@@H](CO)c1ccc(F)cc1 ZINC000273112881 183084181 /nfs/dbraw/zinc/08/41/81/183084181.db2.gz OHGUMWJTOWXLRS-LBPRGKRZSA-N 0 3 243.278 0.458 20 0 BCADHN OCCOCCN1CC[C@H](COC(F)F)C1 ZINC000353021420 183084252 /nfs/dbraw/zinc/08/42/52/183084252.db2.gz KALNLYJXSXJQFN-VIFPVBQESA-N 0 3 239.262 0.556 20 0 BCADHN OCCOCCN[C@@H](CO)c1ccccc1 ZINC000063001663 183084589 /nfs/dbraw/zinc/08/45/89/183084589.db2.gz 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183139716 /nfs/dbraw/zinc/13/97/16/183139716.db2.gz UHAPIYYQMORMEK-RYUDHWBXSA-N 0 3 229.320 0.543 20 0 BCADHN OC[C@H](NCCn1cccn1)[C@H]1CCCO1 ZINC000336719940 183139827 /nfs/dbraw/zinc/13/98/27/183139827.db2.gz YMKKLRSLOQWFCF-WDEREUQCSA-N 0 3 225.292 0.013 20 0 BCADHN OC[C@H](NCc1cccnc1)[C@H]1CCCO1 ZINC000309558740 183141071 /nfs/dbraw/zinc/14/10/71/183141071.db2.gz IOVNDRRKJVMUEP-NWDGAFQWSA-N 0 3 222.288 0.711 20 0 BCADHN OC[C@H](O)CNCc1ccc(Cl)cc1 ZINC000041582486 183142377 /nfs/dbraw/zinc/14/23/77/183142377.db2.gz PAQDBCCUGKCTEU-SNVBAGLBSA-N 0 3 215.680 0.783 20 0 BCADHN OC[C@H](O)CNCc1ccc(Cl)s1 ZINC000083351654 183142456 /nfs/dbraw/zinc/14/24/56/183142456.db2.gz SPRBNOWRKUNZLP-ZCFIWIBFSA-N 0 3 221.709 0.844 20 0 BCADHN OC[C@H](O)CNC/C=C/c1ccncc1 ZINC000336720782 183143073 /nfs/dbraw/zinc/14/30/73/183143073.db2.gz DACXOLWFLCPIIX-FMBMQGQPSA-N 0 3 208.261 0.038 20 0 BCADHN OC[C@H](O)CNCc1cc2ccccc2o1 ZINC000085246706 183143239 /nfs/dbraw/zinc/14/32/39/183143239.db2.gz 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20 0 BCADHN O[C@@H](CNCc1ccncc1)COCC1CC1 ZINC000037850763 183180482 /nfs/dbraw/zinc/18/04/82/183180482.db2.gz RWVZBKCNCCCPGZ-ZDUSSCGKSA-N 0 3 236.315 0.959 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000362587015 169067483 /nfs/dbraw/zinc/06/74/83/169067483.db2.gz HGLPZSDZELDFHG-CYBMUJFWSA-N 0 3 240.347 0.967 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](COC)C1 ZINC000352707367 169067714 /nfs/dbraw/zinc/06/77/14/169067714.db2.gz AHLNCGRWQOLFFI-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358756132 169067861 /nfs/dbraw/zinc/06/78/61/169067861.db2.gz MPAWPVHXWHELIS-TXEJJXNPSA-N 0 3 241.379 0.879 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](CO)C1 ZINC000340315007 169067933 /nfs/dbraw/zinc/06/79/33/169067933.db2.gz QWXYLTTXYQBJTH-SNVBAGLBSA-N 0 3 214.309 0.169 20 0 BCADHN CCCN(C)CC(=O)N1CCSCC1 ZINC000358558919 169067996 /nfs/dbraw/zinc/06/79/96/169067996.db2.gz YRKDZTZBAXQOEJ-UHFFFAOYSA-N 0 3 216.350 0.904 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000330535509 169068054 /nfs/dbraw/zinc/06/80/54/169068054.db2.gz VWMJSWBMETVDKO-VIFPVBQESA-N 0 3 242.323 0.011 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000357890573 169068295 /nfs/dbraw/zinc/06/82/95/169068295.db2.gz NDCJEEAGHCLTNF-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000356394883 169068785 /nfs/dbraw/zinc/06/87/85/169068785.db2.gz PSYDTDHNQBZKJB-MNOVXSKESA-N 0 3 227.352 0.537 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)O)C1 ZINC000357107192 169068848 /nfs/dbraw/zinc/06/88/48/169068848.db2.gz CBYDTGIONKVPHA-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](C)OC[C@H]1C ZINC000359337021 169068919 /nfs/dbraw/zinc/06/89/19/169068919.db2.gz GWUCPGUZWHWUMI-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN O[C@@H](COc1ccccc1)CN1CC[C@@H](O)C1 ZINC000245538056 183198011 /nfs/dbraw/zinc/19/80/11/183198011.db2.gz ZWRMGCWRVLSACD-VXGBXAGGSA-N 0 3 237.299 0.493 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000360834093 169069263 /nfs/dbraw/zinc/06/92/63/169069263.db2.gz IMXZVJSXLCOROA-MNOVXSKESA-N 0 3 228.336 0.415 20 0 BCADHN CCCN(C)CC(=O)NC[C@@](C)(O)CSC ZINC000355437462 169069585 /nfs/dbraw/zinc/06/95/85/169069585.db2.gz BJWIGDVUKGXHLO-LLVKDONJSA-N 0 3 248.392 0.558 20 0 BCADHN CCCN(C)CC(=O)NCCC[C@H](O)CC ZINC000352393451 169070068 /nfs/dbraw/zinc/07/00/68/169070068.db2.gz YKOZXNCJTDTJMD-LLVKDONJSA-N 0 3 230.352 0.996 20 0 BCADHN CCCN(C)CC(=O)NC[C@@]1(C)CCOC1 ZINC000354918090 169070106 /nfs/dbraw/zinc/07/01/06/169070106.db2.gz KSEGULFCSBDLOA-GFCCVEGCSA-N 0 3 228.336 0.871 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000330920004 169070424 /nfs/dbraw/zinc/07/04/24/169070424.db2.gz OLKWRBBZFDQGGB-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN CCCN(C)CC(=O)NCC[C@@H](C)OC ZINC000359270064 169070620 /nfs/dbraw/zinc/07/06/20/169070620.db2.gz ZVIJTPJODGGQEM-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN CCCN(C)CC(=O)NC(C)(C)C(=O)OC ZINC000355497276 169071567 /nfs/dbraw/zinc/07/15/67/169071567.db2.gz TULPZQVNEVGDTN-UHFFFAOYSA-N 0 3 230.308 0.396 20 0 BCADHN CCCN(C)CC(=O)NCc1cnn(C)c1 ZINC000359241522 169072138 /nfs/dbraw/zinc/07/21/38/169072138.db2.gz FKIFBKFQOKASSF-UHFFFAOYSA-N 0 3 224.308 0.378 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CO)CC1CCC1 ZINC000359345002 169072175 /nfs/dbraw/zinc/07/21/75/169072175.db2.gz QOKPMFVFADYLIZ-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)CC(=O)OC ZINC000355470244 169072195 /nfs/dbraw/zinc/07/21/95/169072195.db2.gz GUZLBJDQKWFBPI-VIFPVBQESA-N 0 3 230.308 0.396 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)[C@@H](CO)SC ZINC000341736957 169073128 /nfs/dbraw/zinc/07/31/28/169073128.db2.gz NSIVIRBAYKEKDT-VHSXEESVSA-N 0 3 248.392 0.557 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)Cn1cccn1 ZINC000359349870 169073252 /nfs/dbraw/zinc/07/32/52/169073252.db2.gz WDOHUGFGBVGLHZ-NSHDSACASA-N 0 3 238.335 0.730 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000332069246 169073588 /nfs/dbraw/zinc/07/35/88/169073588.db2.gz UMYVXZMKSICOBW-NXEZZACHSA-N 0 3 228.336 0.604 20 0 BCADHN CCCN(C)CC(=O)NC[C@H]1CCCOC1 ZINC000359300730 169073646 /nfs/dbraw/zinc/07/36/46/169073646.db2.gz JHDSYRBZTWLORK-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CCCN(C)CC(=O)NCc1ncc(C)o1 ZINC000331100976 169074495 /nfs/dbraw/zinc/07/44/95/169074495.db2.gz OPAJUWAKUYLNEB-UHFFFAOYSA-N 0 3 225.292 0.941 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)Cn1cccn1 ZINC000359349868 169075107 /nfs/dbraw/zinc/07/51/07/169075107.db2.gz WDOHUGFGBVGLHZ-LLVKDONJSA-N 0 3 238.335 0.730 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)[C@H]1CCOC1 ZINC000337105139 169075209 /nfs/dbraw/zinc/07/52/09/169075209.db2.gz HVVKVLOAYYUYGP-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000332069248 169075730 /nfs/dbraw/zinc/07/57/30/169075730.db2.gz UMYVXZMKSICOBW-VHSXEESVSA-N 0 3 228.336 0.604 20 0 BCADHN O[C@@H]1CN(C[C@H]2CCOc3ccccc32)C[C@H]1O ZINC000300122822 183206223 /nfs/dbraw/zinc/20/62/23/183206223.db2.gz GRQJTYCDTYDYFT-RAIGVLPGSA-N 0 3 249.310 0.590 20 0 BCADHN O[C@@H]1CN(C[C@H]2Cc3ccccc32)C[C@H]1O ZINC000287660388 183206322 /nfs/dbraw/zinc/20/63/22/183206322.db2.gz HCJFXIGAUWPOES-RAIGVLPGSA-N 0 3 219.284 0.364 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1O ZINC000330470881 169076524 /nfs/dbraw/zinc/07/65/24/169076524.db2.gz MVRNUXQCLNUXEF-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN O[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1O ZINC000236524071 183206624 /nfs/dbraw/zinc/20/66/24/183206624.db2.gz QZHMWDIRVFGDDE-ZIAGYGMSSA-N 0 3 233.311 0.713 20 0 BCADHN O[C@@H]1CN(CCO[C@H]2CCCCO2)CC12CC2 ZINC000375718632 183206720 /nfs/dbraw/zinc/20/67/20/183206720.db2.gz KAUDCMCMEFBYKG-NEPJUHHUSA-N 0 3 241.331 0.986 20 0 BCADHN CCCN(C)CC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000339190022 169064206 /nfs/dbraw/zinc/06/42/06/169064206.db2.gz RPCZHXQMMDJGBG-NEPJUHHUSA-N 0 3 242.363 0.948 20 0 BCADHN CCCN(C)CC(=O)N(C)C[C@@H]1CCCO1 ZINC000355166017 169064502 /nfs/dbraw/zinc/06/45/02/169064502.db2.gz GDLFURMMFGBJSI-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCCN(C)CC(=O)N(C)[C@@H](C)CO ZINC000338692655 169064519 /nfs/dbraw/zinc/06/45/19/169064519.db2.gz IWPJLOOMFSTBPR-VIFPVBQESA-N 0 3 202.298 0.167 20 0 BCADHN CCCN(C)CC(=O)N(C)[C@H]1CCOC1 ZINC000355642244 169065082 /nfs/dbraw/zinc/06/50/82/169065082.db2.gz XXIQITIQYVXGFC-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CCCN(C)CC(=O)N(CCOC)C1CC1 ZINC000359314308 169066139 /nfs/dbraw/zinc/06/61/39/169066139.db2.gz CTRNAUURJRKQNM-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CCCN(C)CC(=O)N(CCOC)CCOC ZINC000358596150 169066306 /nfs/dbraw/zinc/06/63/06/169066306.db2.gz HLBBAPCBTILMMN-UHFFFAOYSA-N 0 3 246.351 0.450 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](O)C1(C)C ZINC000361181057 169066780 /nfs/dbraw/zinc/06/67/80/169066780.db2.gz WIYVGIGRQGTIFY-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000330535508 169066796 /nfs/dbraw/zinc/06/67/96/169066796.db2.gz VWMJSWBMETVDKO-SECBINFHSA-N 0 3 242.323 0.011 20 0 BCADHN CCCN(C)CC(=O)N1CCN(C)C[C@@H]1C ZINC000346217973 169067118 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214.309 0.609 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1cncnc1 ZINC000354693283 169157555 /nfs/dbraw/zinc/15/75/55/169157555.db2.gz OSOWFDVXFPKLMN-UHFFFAOYSA-N 0 3 236.319 0.890 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1csnn1 ZINC000341928003 169157693 /nfs/dbraw/zinc/15/76/93/169157693.db2.gz YFDKCKWFFGMPFQ-UHFFFAOYSA-N 0 3 242.348 0.952 20 0 BCADHN CCCN(CCO)CCn1c(C)csc1=O ZINC000269140386 169165356 /nfs/dbraw/zinc/16/53/56/169165356.db2.gz ZQIMNPHLOFUJJD-UHFFFAOYSA-N 0 3 244.360 0.923 20 0 BCADHN CCCN1CCCN(C(=O)CCOC)CC1 ZINC000371515637 169193643 /nfs/dbraw/zinc/19/36/43/169193643.db2.gz BNXKNOHPQRWJTQ-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CC(C)(O)C1 ZINC000336441738 169194091 /nfs/dbraw/zinc/19/40/91/169194091.db2.gz LOODNXKOEUTALZ-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN CCCN1CCC[C@@H]1CS(=O)(=O)NC ZINC000336676489 169196645 /nfs/dbraw/zinc/19/66/45/169196645.db2.gz YDXHKXDFVKLGDL-SECBINFHSA-N 0 3 220.338 0.410 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@H](C)[C@@H](C)CO ZINC000330474705 169197021 /nfs/dbraw/zinc/19/70/21/169197021.db2.gz SCPJYEIFLOZVNN-QJPTWQEYSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352544040 169198619 /nfs/dbraw/zinc/19/86/19/169198619.db2.gz MZXASWLENRZWDO-LLVKDONJSA-N 0 3 248.392 1.000 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NCCN1CCC1 ZINC000337324318 169198981 /nfs/dbraw/zinc/19/89/81/169198981.db2.gz UHWWJSCBPAYOMH-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N[C@H](CO)C(C)C ZINC000330752723 169200646 /nfs/dbraw/zinc/20/06/46/169200646.db2.gz XEZZGCQCJFVMOL-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CCCNC(=O)CN1C[C@H](CO)[C@H](C)C1 ZINC000362079404 169222807 /nfs/dbraw/zinc/22/28/07/169222807.db2.gz UOJJKERNZRLLBB-NXEZZACHSA-N 0 3 214.309 0.073 20 0 BCADHN CCCNC(=O)CN1CC[C@H]2CCN(C)C[C@H]21 ZINC000376663283 169222922 /nfs/dbraw/zinc/22/29/22/169222922.db2.gz IHPPDQJUSYHAPI-VXGBXAGGSA-N 0 3 239.363 0.539 20 0 BCADHN CCCNC(=O)CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000361749843 169223086 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DOWOCOVRXCOLDD-NSHDSACASA-N 0 3 228.336 0.653 20 0 BCADHN CCCNC(=O)CN[C@H]1CCO[C@H]1C ZINC000119876923 169228999 /nfs/dbraw/zinc/22/89/99/169228999.db2.gz GJJFOVIPTBFVFN-IUCAKERBSA-N 0 3 200.282 0.280 20 0 BCADHN CCCNC(=O)CN[C@H]1CCOC[C@H]1OCC ZINC000362029365 169229121 /nfs/dbraw/zinc/22/91/21/169229121.db2.gz SKONZQUGYWUYMT-WDEREUQCSA-N 0 3 244.335 0.296 20 0 BCADHN CCCNC(=O)CN[C@@](C)(CO)C(C)C ZINC000336765838 169229421 /nfs/dbraw/zinc/22/94/21/169229421.db2.gz RHDCCJCTDKLQDA-NSHDSACASA-N 0 3 216.325 0.509 20 0 BCADHN CCCNC(=O)CN[C@H](C1CC1)C(C)(C)CO ZINC000339724971 169229543 /nfs/dbraw/zinc/22/95/43/169229543.db2.gz ILFINESGKIAUMS-GFCCVEGCSA-N 0 3 242.363 0.899 20 0 BCADHN CCCNC(=O)CN[C@H]1CCCSC1 ZINC000061573219 169229815 /nfs/dbraw/zinc/22/98/15/169229815.db2.gz NDQCETPDHSSXGH-VIFPVBQESA-N 0 3 216.350 0.998 20 0 BCADHN c1cc(CNC[C@@H]2COCCO2)ccn1 ZINC000037998110 183350468 /nfs/dbraw/zinc/35/04/68/183350468.db2.gz LKUZODUJSIMAJI-LLVKDONJSA-N 0 3 208.261 0.587 20 0 BCADHN c1cn2c(cccc2CNC[C@@H]2COCCO2)n1 ZINC000354273044 183350898 /nfs/dbraw/zinc/35/08/98/183350898.db2.gz RFVDOUFWXWPHIF-GFCCVEGCSA-N 0 3 247.298 0.839 20 0 BCADHN c1cc(CNC[C@H]2COCCO2)ccn1 ZINC000037998111 183351599 /nfs/dbraw/zinc/35/15/99/183351599.db2.gz LKUZODUJSIMAJI-NSHDSACASA-N 0 3 208.261 0.587 20 0 BCADHN c1cc(CN[C@H]2CCN(C3CC3)C2)n[nH]1 ZINC000044686066 183353196 /nfs/dbraw/zinc/35/31/96/183353196.db2.gz HLAMIJHKUOYCNN-JTQLQIEISA-N 0 3 206.293 0.736 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000045088708 169215666 /nfs/dbraw/zinc/21/56/66/169215666.db2.gz XDOUQCSXIZPUSH-SNVBAGLBSA-N 0 3 243.351 0.392 20 0 BCADHN CCCNC(=O)CCN[C@H](C)c1cnn(C)c1 ZINC000045073073 169216718 /nfs/dbraw/zinc/21/67/18/169216718.db2.gz LBQWCTPYLKOONO-SNVBAGLBSA-N 0 3 238.335 0.987 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@H](N)C(C)(C)C ZINC000123409096 169217107 /nfs/dbraw/zinc/21/71/07/169217107.db2.gz XDOUQCSXIZPUSH-JTQLQIEISA-N 0 3 243.351 0.392 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@](C)(N)CCC ZINC000045088703 169217266 /nfs/dbraw/zinc/21/72/66/169217266.db2.gz FKVQCDSGWOLMST-GFCCVEGCSA-N 0 3 243.351 0.536 20 0 BCADHN CCCNC(=O)CCN[C@@H](C)c1cnn(C)c1 ZINC000045073072 169217448 /nfs/dbraw/zinc/21/74/48/169217448.db2.gz LBQWCTPYLKOONO-JTQLQIEISA-N 0 3 238.335 0.987 20 0 BCADHN CCCNC(=O)CN(CCO)[C@H](C)CC ZINC000308775414 169221701 /nfs/dbraw/zinc/22/17/01/169221701.db2.gz BDGDLLJSHFFDGQ-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN CCCNC(=O)CN1C[C@@H](C)N(CC)C[C@H]1C ZINC000346188460 169222535 /nfs/dbraw/zinc/22/25/35/169222535.db2.gz JJCBEFJRDPTGRY-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN CCC[NH2+]CC[N-]S(=O)(=O)c1ccco1 ZINC000261551642 169260424 /nfs/dbraw/zinc/26/04/24/169260424.db2.gz QQRPZOVTFFLJOA-UHFFFAOYSA-N 0 3 232.305 0.558 20 0 BCADHN CCCNC(=O)NC(=O)CN(C)C1CCC1 ZINC000075841248 169235288 /nfs/dbraw/zinc/23/52/88/169235288.db2.gz RGXOEOSSSHWNCL-UHFFFAOYSA-N 0 3 227.308 0.707 20 0 BCADHN CCCNC(=O)[C@@H](C)N(C)CCCCO ZINC000349948582 169240585 /nfs/dbraw/zinc/24/05/85/169240585.db2.gz WNMNZXBGPYUNDH-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CC[C@@H](CC(N)=O)C1 ZINC000367369289 169240861 /nfs/dbraw/zinc/24/08/61/169240861.db2.gz BMEVSHWBKDRLCI-ZJUUUORDSA-N 0 3 241.335 0.098 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CC[C@](O)(C2CC2)C1 ZINC000373240508 169241058 /nfs/dbraw/zinc/24/10/58/169241058.db2.gz DEDSOMOTMKUVCY-ZWNOBZJWSA-N 0 3 240.347 0.748 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CCCC[C@@H](CO)C1 ZINC000363348530 169241320 /nfs/dbraw/zinc/24/13/20/169241320.db2.gz PGXCUJXQYFVALM-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CCCNC(=O)C(C)S(=O)(=O)[C@@H]1CCOC1 ZINC000362671033 169242627 /nfs/dbraw/zinc/24/26/27/169242627.db2.gz KIDBMLKUGDWSRE-RKDXNWHRSA-N 0 3 249.332 0.105 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228105960 169246003 /nfs/dbraw/zinc/24/60/03/169246003.db2.gz OENIJTNCJTZLFK-NNYUYHANSA-N 0 3 240.347 0.604 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@H](CO)[C@H](C)C1 ZINC000362091150 169246558 /nfs/dbraw/zinc/24/65/58/169246558.db2.gz RSZZCASPJXNLTM-OUAUKWLOSA-N 0 3 228.336 0.461 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@@H](CO)C1 ZINC000225978802 169246908 /nfs/dbraw/zinc/24/69/08/169246908.db2.gz JAZRKIYFKTVNPP-VHSXEESVSA-N 0 3 214.309 0.215 20 0 BCADHN CCCOCC(=O)N1CCCN(CC)CC1 ZINC000307768209 169303466 /nfs/dbraw/zinc/30/34/66/169303466.db2.gz DBQBSQWEIDENJN-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN CCCOCC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000310471324 169304128 /nfs/dbraw/zinc/30/41/28/169304128.db2.gz BJUIHRYNQCRQEM-ZDUSSCGKSA-N 0 3 240.347 0.967 20 0 BCADHN CCCS(=O)(=O)CCN1CCCC[C@H]1CN ZINC000227080591 169329760 /nfs/dbraw/zinc/32/97/60/169329760.db2.gz PBSFIRZJFGRLSS-NSHDSACASA-N 0 3 248.392 0.624 20 0 BCADHN CCCS(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000309340115 169331365 /nfs/dbraw/zinc/33/13/65/169331365.db2.gz KXMOIYAHHPDOCC-NSHDSACASA-N 0 3 246.376 0.754 20 0 BCADHN CCCS(=O)(=O)N[C@H]1CNCC[C@H]1C ZINC000070957564 169334072 /nfs/dbraw/zinc/33/40/72/169334072.db2.gz JZOUBNRSTBABQG-BDAKNGLRSA-N 0 3 220.338 0.314 20 0 BCADHN CCC[C@@H](C)C(=O)NC[C@H]1CNCCO1 ZINC000036285266 169350763 /nfs/dbraw/zinc/35/07/63/169350763.db2.gz ZPVKXXLAVIQPQI-NXEZZACHSA-N 0 3 214.309 0.527 20 0 BCADHN CCC[C@@H](C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358039557 169351309 /nfs/dbraw/zinc/35/13/09/169351309.db2.gz CNGSGNSBBNNKDV-PWSUYJOCSA-N 0 3 228.336 0.605 20 0 BCADHN CCC[C@@H](C)CS(=O)(=O)N(C)C1CNC1 ZINC000336678286 169361274 /nfs/dbraw/zinc/36/12/74/169361274.db2.gz MSAWVIAWSMXVIA-SECBINFHSA-N 0 3 234.365 0.656 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCOC[C@@H](C)C1 ZINC000371570064 169388034 /nfs/dbraw/zinc/38/80/34/169388034.db2.gz MWHBUCXNMQGIQA-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN CCC[C@@H](CNCc1cnnn1C)OC ZINC000356322985 169384838 /nfs/dbraw/zinc/38/48/38/169384838.db2.gz QQVBHOFZEBBMNX-JTQLQIEISA-N 0 3 212.297 0.720 20 0 BCADHN CCC[C@@H](CN[C@@H](C)CS(C)(=O)=O)OC ZINC000356347768 169385588 /nfs/dbraw/zinc/38/55/88/169385588.db2.gz ZSRNFWKWBSMOOF-UWVGGRQHSA-N 0 3 237.365 0.824 20 0 BCADHN CCC[C@@H](N)C(=O)N1CC[C@](C)(C(=O)OC)C1 ZINC000236911462 169388414 /nfs/dbraw/zinc/38/84/14/169388414.db2.gz MTBDOKRRTIUQKZ-SKDRFNHKSA-N 0 3 242.319 0.525 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCC(CC(N)=O)CC1 ZINC000037821195 169388431 /nfs/dbraw/zinc/38/84/31/169388431.db2.gz MTWZWDYZLDTTNB-SNVBAGLBSA-N 0 3 241.335 0.228 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCCN(C(C)=O)CC1 ZINC000042681479 169388571 /nfs/dbraw/zinc/38/85/71/169388571.db2.gz DQEXEGYCVPYYBP-LLVKDONJSA-N 0 3 241.335 0.195 20 0 BCADHN CCC[C@@H](N)C(=O)NC[C@@]1(C)CCOC1 ZINC000336739924 169388973 /nfs/dbraw/zinc/38/89/73/169388973.db2.gz LUZKFDILHSUQOP-MWLCHTKSSA-N 0 3 214.309 0.657 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000269038538 169390898 /nfs/dbraw/zinc/39/08/98/169390898.db2.gz LPSDRIVETPVSER-MNOVXSKESA-N 0 3 249.314 0.457 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1ccnn1CC ZINC000309452869 169392164 /nfs/dbraw/zinc/39/21/64/169392164.db2.gz MXVPHWHZTXJFHK-MRVPVSSYSA-N 0 3 210.281 0.969 20 0 BCADHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cnc[nH]1 ZINC000179434871 134320768 /nfs/dbraw/zinc/32/07/68/134320768.db2.gz QTAHQRMHXQATBL-IUCAKERBSA-N 0 3 222.292 0.496 20 0 BCADHN CCC[C@@H](NC(C)C)C(=O)N[C@@H](C)C(N)=O ZINC000309467867 169399063 /nfs/dbraw/zinc/39/90/63/169399063.db2.gz PYQXGSWDFWKMNC-DTWKUNHWSA-N 0 3 229.324 0.143 20 0 BCADHN CCC[C@@H](NC(C)C)C(=O)N[C@H](C)C(=O)NC ZINC000355950953 169399084 /nfs/dbraw/zinc/39/90/84/169399084.db2.gz XTXWMIXYRHAHJR-NXEZZACHSA-N 0 3 243.351 0.404 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCS[C@@H](C)[C@@H]1C ZINC000222033716 134329419 /nfs/dbraw/zinc/32/94/19/134329419.db2.gz ZAGSQHOKSVXWJU-ATZCPNFKSA-N 0 3 247.360 0.736 20 0 BCADHN COC[C@H](O)CCN[C@H](C)c1cnccn1 ZINC000222708380 134334148 /nfs/dbraw/zinc/33/41/48/134334148.db2.gz QWVCKIVHKTYHNJ-NXEZZACHSA-N 0 3 225.292 0.525 20 0 BCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(N)=O ZINC000181203961 134334150 /nfs/dbraw/zinc/33/41/50/134334150.db2.gz DWWLMSAQCUFANM-UHFFFAOYSA-N 0 3 235.287 0.480 20 0 BCADHN CN(C)CCNC(=O)NCC(C)(C)C ZINC000193515353 259604892 /nfs/dbraw/zinc/60/48/92/259604892.db2.gz XIDSOEOOFBIRQM-UHFFFAOYSA-N 0 3 201.314 0.893 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@@H](C)OC ZINC000223703871 134339151 /nfs/dbraw/zinc/33/91/51/134339151.db2.gz AMGCCGQIIUJYRY-BDAKNGLRSA-N 0 3 202.298 0.655 20 0 BCADHN CCC[C@@](C)(N)C(=O)NC[C@H]1CCCO1 ZINC000037481276 169451147 /nfs/dbraw/zinc/45/11/47/169451147.db2.gz BDSLDLYNVQIUEK-MWLCHTKSSA-N 0 3 214.309 0.799 20 0 BCADHN CCOCCC(=O)NC[C@@](C)(O)CCN(C)C ZINC000352125669 535456140 /nfs/dbraw/zinc/45/61/40/535456140.db2.gz KHXHSAMQGGSMTP-LBPRGKRZSA-N 0 3 246.351 0.232 20 0 BCADHN CCOC(=O)CCN[C@@H](C(=O)NC)C(C)C ZINC000183662875 134355489 /nfs/dbraw/zinc/35/54/89/134355489.db2.gz XKJSOBVOKXYDLA-SNVBAGLBSA-N 0 3 230.308 0.300 20 0 BCADHN CCCn1cc(C(=O)NCCN(C)C)cn1 ZINC000119972965 169616085 /nfs/dbraw/zinc/61/60/85/169616085.db2.gz LJFHDPORUCDHKH-UHFFFAOYSA-N 0 3 224.308 0.585 20 0 BCADHN CC[C@@H]1CN([C@H]2COC[C@H]2O)CCS1 ZINC000306556650 171096697 /nfs/dbraw/zinc/09/66/97/171096697.db2.gz LROWJPNTSOWLHM-KXUCPTDWSA-N 0 3 217.334 0.574 20 0 BCADHN CCN(C(=O)[C@H](N)CCOC)C1CC1 ZINC000052791305 169653239 /nfs/dbraw/zinc/65/32/39/169653239.db2.gz PGYYTIIFWDBICX-SECBINFHSA-N 0 3 200.282 0.361 20 0 BCADHN Cn1cccc1CNC[C@@H](O)C(F)F ZINC000226578725 134366967 /nfs/dbraw/zinc/36/69/67/134366967.db2.gz MWCOOIWVWMFLIV-MRVPVSSYSA-N 0 3 204.220 0.741 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000184814464 134369484 /nfs/dbraw/zinc/36/94/84/134369484.db2.gz MQCJENSDHIQZMW-NXEZZACHSA-N 0 3 241.335 0.145 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCC[C@@H](O)C1 ZINC000227126686 134376185 /nfs/dbraw/zinc/37/61/85/134376185.db2.gz MPGMDLIOGWQTMB-MWLCHTKSSA-N 0 3 224.308 0.456 20 0 BCADHN CO[C@@H](CN)C(=O)N(CCC(C)C)C1CC1 ZINC000227364600 134378487 /nfs/dbraw/zinc/37/84/87/134378487.db2.gz BOHSJEZEIYGXOE-NSHDSACASA-N 0 3 228.336 0.997 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@H]1COCC1(C)C ZINC000313071164 383826778 /nfs/dbraw/zinc/82/67/78/383826778.db2.gz FDPDXVUONPVPJL-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN Cc1ncc2c(n1)CC[C@@H](NC(=O)[C@@H](C)N)C2 ZINC000566193821 383826206 /nfs/dbraw/zinc/82/62/06/383826206.db2.gz QPKLRUMYQZHAAT-GMSGAONNSA-N 0 3 234.303 0.106 20 0 BCADHN CC[C@H](N)C(=O)N1CCC(COC)CC1 ZINC000069632999 383837544 /nfs/dbraw/zinc/83/75/44/383837544.db2.gz CSXLKOWMHYQISQ-JTQLQIEISA-N 0 3 214.309 0.609 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(F)nc1)N(C)C ZINC000069632770 383838058 /nfs/dbraw/zinc/83/80/58/383838058.db2.gz DDLIVKYPFORCKA-QMMMGPOBSA-N 0 3 225.267 0.901 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@H]1CCCC[C@@H]1O ZINC000358523493 383841902 /nfs/dbraw/zinc/84/19/02/383841902.db2.gz LLKKLASRMDKBKU-VWYCJHECSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NC[C@](C)(O)C1CC1 ZINC000358521436 383842127 /nfs/dbraw/zinc/84/21/27/383842127.db2.gz JAAFDJKUMWJYPG-SKDRFNHKSA-N 0 3 243.351 0.397 20 0 BCADHN CC(C)CCOCCN1C[C@@H](O)[C@H](CO)C1 ZINC000317514295 383842666 /nfs/dbraw/zinc/84/26/66/383842666.db2.gz VDSHOHHKBDZNAA-NWDGAFQWSA-N 0 3 231.336 0.334 20 0 BCADHN C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)C1CC1 ZINC000111371067 383857648 /nfs/dbraw/zinc/85/76/48/383857648.db2.gz WQFOYRXIDOXCHC-BXKDBHETSA-N 0 3 248.330 0.914 20 0 BCADHN CN(Cc1ccc2c(c1)OCO2)C(=O)C1(N)CC1 ZINC000088130353 383881488 /nfs/dbraw/zinc/88/14/88/383881488.db2.gz NTBSZCHIKGEWFY-UHFFFAOYSA-N 0 3 248.282 0.865 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000037815447 383863105 /nfs/dbraw/zinc/86/31/05/383863105.db2.gz VZFYAYWGLGUPEO-DCAQKATOSA-N 0 3 226.320 0.894 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCC(C)(O)CC1 ZINC000087781564 383863454 /nfs/dbraw/zinc/86/34/54/383863454.db2.gz RNMOVDHMMQPHES-NSHDSACASA-N 0 3 231.336 0.619 20 0 BCADHN COC(=O)c1ccc(CN[C@H](C)CO)cc1 ZINC000035603111 383863657 /nfs/dbraw/zinc/86/36/57/383863657.db2.gz BYCCTSYTAFSGRP-SECBINFHSA-N 0 3 223.272 0.944 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)Cc1nccn1C ZINC000037822974 383865168 /nfs/dbraw/zinc/86/51/68/383865168.db2.gz IJIXQRIMVSDFTL-SNVBAGLBSA-N 0 3 224.308 0.362 20 0 BCADHN C[C@@H](NCCF)C(C)(C)n1cncn1 ZINC000308646435 383877756 /nfs/dbraw/zinc/87/77/56/383877756.db2.gz HVHALKUPCNDEJN-MRVPVSSYSA-N 0 3 200.261 0.961 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](CC)CCO ZINC000087369783 383829332 /nfs/dbraw/zinc/82/93/32/383829332.db2.gz RBOPOCKUSXLUOM-VWYCJHECSA-N 0 3 230.352 0.885 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H]1COCC1(C)C ZINC000313070267 383832345 /nfs/dbraw/zinc/83/23/45/383832345.db2.gz YTYRCFJJJIZJFB-NXEZZACHSA-N 0 3 249.376 0.824 20 0 BCADHN Cn1ccc(CNCCCn2ccnc2)n1 ZINC000112337448 383916830 /nfs/dbraw/zinc/91/68/30/383916830.db2.gz GNWNYPUHDVLSGT-UHFFFAOYSA-N 0 3 219.292 0.797 20 0 BCADHN Cn1ccc(CNCCCC(=O)NC2CC2)n1 ZINC000112341155 383920806 /nfs/dbraw/zinc/92/08/06/383920806.db2.gz HNXJXAFMAUELET-UHFFFAOYSA-N 0 3 236.319 0.569 20 0 BCADHN COC(C)(C)CCN1C[C@H](C)O[C@H](CO)C1 ZINC000300047698 383922133 /nfs/dbraw/zinc/92/21/33/383922133.db2.gz RGDRXSKXPQVYSE-QWRGUYRKSA-N 0 3 231.336 0.883 20 0 BCADHN CC[C@H](N)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000037016303 383926765 /nfs/dbraw/zinc/92/67/65/383926765.db2.gz ITEFFEYWHWTSRG-JTQLQIEISA-N 0 3 246.274 0.338 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000037018250 383931439 /nfs/dbraw/zinc/93/14/39/383931439.db2.gz SVWDEWKXRSVUHO-IUCAKERBSA-N 0 3 247.302 0.644 20 0 BCADHN CN1CCC(C(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000336435469 383883555 /nfs/dbraw/zinc/88/35/55/383883555.db2.gz IJKAASBJUHTXMM-CYBMUJFWSA-N 0 3 240.347 0.702 20 0 BCADHN Cc1n[nH]cc1C(=O)NC[C@@H](C)N(C)C ZINC000070212406 383890612 /nfs/dbraw/zinc/89/06/12/383890612.db2.gz KZRDSMORSROKEM-SSDOTTSWSA-N 0 3 210.281 0.398 20 0 BCADHN CN(C)C1(C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000643610887 383893744 /nfs/dbraw/zinc/89/37/44/383893744.db2.gz XTEPPXOHMGTGAN-UHFFFAOYSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@H](N[C@@H]1CO[C@H](C)C1)C1(S(C)(=O)=O)CC1 ZINC000647210513 383900539 /nfs/dbraw/zinc/90/05/39/383900539.db2.gz KKEMRAGMBLNAMQ-UTLUCORTSA-N 0 3 247.360 0.719 20 0 BCADHN C1[C@@H]2C[C@@H](c3nc([C@@H]4CCCN4)no3)N[C@H]12 ZINC000647148836 383900952 /nfs/dbraw/zinc/90/09/52/383900952.db2.gz ZAPBQBYZYNLSGC-XAVMHZPKSA-N 0 3 220.276 0.917 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@@H](C)O)N(C)C ZINC000119864355 383902937 /nfs/dbraw/zinc/90/29/37/383902937.db2.gz ZWPHAGIFBSOOCP-RKDXNWHRSA-N 0 3 202.298 0.070 20 0 BCADHN C[C@@H]1CCCN1S(=O)(=O)NCCNC1CC1 ZINC000647210673 383904207 /nfs/dbraw/zinc/90/42/07/383904207.db2.gz SRNPTLMZNJSWPC-SECBINFHSA-N 0 3 247.364 0.057 20 0 BCADHN CCN1OC[C@H](N[C@H](C)[C@@H]2CCCOC2)C1=O ZINC000643611152 383905045 /nfs/dbraw/zinc/90/50/45/383905045.db2.gz QUDQJZGSDUELAE-MXWKQRLJSA-N 0 3 242.319 0.553 20 0 BCADHN CCN(CC(=O)N1CCOCC1)C1CCC1 ZINC000558427884 384002457 /nfs/dbraw/zinc/00/24/57/384002457.db2.gz XYVXZWKPOXWSHW-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN OCCN1CCN(CC2=CCCC2)CC1 ZINC000401147304 383990236 /nfs/dbraw/zinc/99/02/36/383990236.db2.gz JMAJGNUUDDJQGI-UHFFFAOYSA-N 0 3 210.321 0.707 20 0 BCADHN CC(C)CN(C(=O)CN)C1CC[NH+](C)CC1 ZINC000518536813 383991103 /nfs/dbraw/zinc/99/11/03/383991103.db2.gz NPGIJTHPVKEVHE-UHFFFAOYSA-N 0 3 227.352 0.524 20 0 BCADHN CC(C)CN(C(=O)CN)C1CCN(C)CC1 ZINC000518536813 383991109 /nfs/dbraw/zinc/99/11/09/383991109.db2.gz NPGIJTHPVKEVHE-UHFFFAOYSA-N 0 3 227.352 0.524 20 0 BCADHN CC(C)N(C)CC(=O)N1CC(n2cncn2)C1 ZINC000370978703 383995175 /nfs/dbraw/zinc/99/51/75/383995175.db2.gz JOUKPOPNUFSMNS-UHFFFAOYSA-N 0 3 237.307 0.002 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cnccn2)[C@H]1C ZINC000071522459 383997047 /nfs/dbraw/zinc/99/70/47/383997047.db2.gz DTQXEZONHMCLFE-BDAKNGLRSA-N 0 3 220.276 0.299 20 0 BCADHN CC[C@H](NCc1cncnc1OC)[C@H](C)O ZINC000647215298 383999015 /nfs/dbraw/zinc/99/90/15/383999015.db2.gz OPPYFRQGWRYFHP-WPRPVWTQSA-N 0 3 225.292 0.734 20 0 BCADHN COC(=O)N1CCC(NCc2ncc[nH]2)CC1 ZINC000067694261 383936771 /nfs/dbraw/zinc/93/67/71/383936771.db2.gz GDWGBZHHFVZOHZ-UHFFFAOYSA-N 0 3 238.291 0.730 20 0 BCADHN CCc1ccc(CNC[C@@H](O)COC)o1 ZINC000070589659 383937391 /nfs/dbraw/zinc/93/73/91/383937391.db2.gz OIZCSQXIVWYLOE-SECBINFHSA-N 0 3 213.277 0.939 20 0 BCADHN COC[C@@H](O)CNCc1c(C)n[nH]c1C ZINC000070589112 383937597 /nfs/dbraw/zinc/93/75/97/383937597.db2.gz KOKLMUSHXWPFRZ-VIFPVBQESA-N 0 3 213.281 0.123 20 0 BCADHN COC[C@@H](O)CNCc1ccccc1F ZINC000070558643 383942571 /nfs/dbraw/zinc/94/25/71/383942571.db2.gz BNJODAFTBQMTHD-JTQLQIEISA-N 0 3 213.252 0.923 20 0 BCADHN CC(C(=O)N[C@@H](C)C(F)(F)F)S(C)(=O)=O ZINC000332432327 383952788 /nfs/dbraw/zinc/95/27/88/383952788.db2.gz BZNYIRGILCMZPG-UHNVWZDZSA-N 0 3 247.238 0.487 20 0 BCADHN Cc1n[nH]c(C)c1CNC[C@@H](O)C1CC1 ZINC000070881736 383956616 /nfs/dbraw/zinc/95/66/16/383956616.db2.gz VWGLZZBFBINPBA-LLVKDONJSA-N 0 3 209.293 0.887 20 0 BCADHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1ccc(=O)[nH]n1 ZINC000332431600 383956649 /nfs/dbraw/zinc/95/66/49/383956649.db2.gz HLPQICLOGDMIMP-FXBDTBDDSA-N 0 3 237.303 0.992 20 0 BCADHN CCN(C)CCNC(=O)C(=O)Nc1ccccc1 ZINC000112926105 383957608 /nfs/dbraw/zinc/95/76/08/383957608.db2.gz CUNJMELHFIUSBJ-UHFFFAOYSA-N 0 3 249.314 0.693 20 0 BCADHN COC(=O)[C@](C)(O)CN(C)C[C@@H]1CCCO1 ZINC000070714406 383960409 /nfs/dbraw/zinc/96/04/09/383960409.db2.gz VSIYLMXXJWQZNK-GXSJLCMTSA-N 0 3 231.292 0.021 20 0 BCADHN CCN1CCN(CCNC(=O)NC(C)C)CC1 ZINC000518567233 384016530 /nfs/dbraw/zinc/01/65/30/384016530.db2.gz ORZRMLBDPHURCH-UHFFFAOYSA-N 0 3 242.367 0.332 20 0 BCADHN CC1(C)COC[C@@H]1NCC(=O)NCC1CCC1 ZINC000556336829 384023458 /nfs/dbraw/zinc/02/34/58/384023458.db2.gz RROCRPSHVMBMCQ-NSHDSACASA-N 0 3 240.347 0.917 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCCN1C ZINC000114076544 384023854 /nfs/dbraw/zinc/02/38/54/384023854.db2.gz AXBZLDICZJFNOH-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN Cn1cccc1CN[C@@]1(CCO)CCOC1 ZINC000278486035 384003955 /nfs/dbraw/zinc/00/39/55/384003955.db2.gz KLMLIYHQEYPIRB-LBPRGKRZSA-N 0 3 224.304 0.656 20 0 BCADHN CC(C)(C)[C@@H](CO)NCc1cncnc1 ZINC000278533483 384006069 /nfs/dbraw/zinc/00/60/69/384006069.db2.gz VPZUYEUSBOCTEB-SNVBAGLBSA-N 0 3 209.293 0.973 20 0 BCADHN O[C@@H](CNC[C@@H](O)C(F)(F)F)C1CCC1 ZINC000316572781 384006845 /nfs/dbraw/zinc/00/68/45/384006845.db2.gz MDYFHLOCDAESJS-JGVFFNPUSA-N 0 3 227.226 0.660 20 0 BCADHN O[C@H](CNC[C@H](O)C(F)(F)F)C1CCC1 ZINC000316572783 384007143 /nfs/dbraw/zinc/00/71/43/384007143.db2.gz MDYFHLOCDAESJS-SFYZADRCSA-N 0 3 227.226 0.660 20 0 BCADHN CCN1CCN(C[C@H](O)CSC)CC1 ZINC000187721120 384012891 /nfs/dbraw/zinc/01/28/91/384012891.db2.gz AWBXAUHRAMGAGZ-JTQLQIEISA-N 0 3 218.366 0.348 20 0 BCADHN Cc1ccc(CNC[C@@H]2CN(C)CCN2C)o1 ZINC000068800438 384014580 /nfs/dbraw/zinc/01/45/80/384014580.db2.gz RJXUMPIZRUWKOP-GFCCVEGCSA-N 0 3 237.347 0.923 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2C[C@@H]3CCCCN3C2=O)CO1 ZINC000647216609 384015672 /nfs/dbraw/zinc/01/56/72/384015672.db2.gz UOYTYQRFZNDGMO-NOOOWODRSA-N 0 3 238.331 0.907 20 0 BCADHN CN(CCN1C(=O)NC(C)(C)C1=O)C1CCC1 ZINC000075841605 384043226 /nfs/dbraw/zinc/04/32/26/384043226.db2.gz LEGZNKMLVUQDGV-UHFFFAOYSA-N 0 3 239.319 0.801 20 0 BCADHN CN1CCC[C@H]1CNC(=O)c1ccncc1 ZINC000049096492 384043213 /nfs/dbraw/zinc/04/32/13/384043213.db2.gz FDTAJOXNEFUKNJ-NSHDSACASA-N 0 3 219.288 0.906 20 0 BCADHN CCNC(=O)CCC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000648127638 384053311 /nfs/dbraw/zinc/05/33/11/384053311.db2.gz AVFMFLSFAOOLBA-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN CCNC(=O)CCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000648127639 384053391 /nfs/dbraw/zinc/05/33/91/384053391.db2.gz AVFMFLSFAOOLBA-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CNC(=O)[C@@H]1CCCCN1CCC(=O)N(C)C ZINC000408078987 134388204 /nfs/dbraw/zinc/38/82/04/134388204.db2.gz FHUQWKLJQGZTRJ-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CO[C@@H](CNC(=O)[C@@H](C)N)C(C)(C)C ZINC000119934317 384031706 /nfs/dbraw/zinc/03/17/06/384031706.db2.gz HJOQYVYZXMAYQW-SFYZADRCSA-N 0 3 202.298 0.511 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN(C)C1CC1 ZINC000234803841 134389012 /nfs/dbraw/zinc/38/90/12/134389012.db2.gz PBYCUQHYZLFFCB-GXSJLCMTSA-N 0 3 217.309 0.493 20 0 BCADHN COCC(COC)N[C@@H]1CO[C@@H](C)C1 ZINC000401801778 384035078 /nfs/dbraw/zinc/03/50/78/384035078.db2.gz VBKUWHOZUUDSEI-IUCAKERBSA-N 0 3 203.282 0.415 20 0 BCADHN Cn1ccnc1CNC1CCC(O)CC1 ZINC000049773255 384036122 /nfs/dbraw/zinc/03/61/22/384036122.db2.gz IQGSXIOMNQDEAG-UHFFFAOYSA-N 0 3 209.293 0.813 20 0 BCADHN C(NCC1CC1)c1nc([C@H]2CCCN2)no1 ZINC000647156705 384042054 /nfs/dbraw/zinc/04/20/54/384042054.db2.gz NCCOOMOQYGAYNC-SECBINFHSA-N 0 3 222.292 0.994 20 0 BCADHN CC(C)[C@](C)([NH2+]Cc1ncccc1[O-])C(N)=O ZINC000569469139 384089056 /nfs/dbraw/zinc/08/90/56/384089056.db2.gz NUQLSVVHSRKAEZ-LBPRGKRZSA-N 0 3 237.303 0.777 20 0 BCADHN CC(C(=O)N(C)CC(C)(C)C)S(C)(=O)=O ZINC000332507124 384060328 /nfs/dbraw/zinc/06/03/28/384060328.db2.gz WAYREMIMTDSSSC-MRVPVSSYSA-N 0 3 235.349 0.924 20 0 BCADHN CCS(=O)(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000336528481 384061206 /nfs/dbraw/zinc/06/12/06/384061206.db2.gz MVZIWZIEVABVON-QWRGUYRKSA-N 0 3 246.376 0.895 20 0 BCADHN O=C1NC[C@H](CN2CCC3(CC3)CC2)O1 ZINC000363459577 384061749 /nfs/dbraw/zinc/06/17/49/384061749.db2.gz OJJYOMSIOITGHO-SECBINFHSA-N 0 3 210.277 0.971 20 0 BCADHN C[C@@H]1OCC[C@H]1NC[C@@H](O)C(F)(F)F ZINC000227826858 134389700 /nfs/dbraw/zinc/38/97/00/134389700.db2.gz UUONINLBPDQSGY-RRKCRQDMSA-N 0 3 213.199 0.677 20 0 BCADHN O=C(CCn1ccnc1)N[C@@H]1CCN(C2CC2)C1 ZINC000518607122 384067784 /nfs/dbraw/zinc/06/77/84/384067784.db2.gz XXJYCADZSWEYFL-LLVKDONJSA-N 0 3 248.330 0.626 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCCN(C)C1)[C@H](C)O ZINC000642901678 384073582 /nfs/dbraw/zinc/07/35/82/384073582.db2.gz ANGGLFQTAADPMN-DCAQKATOSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H]1C[C@H](NC[C@H]2CCCS2(=O)=O)CO1 ZINC000401832463 384095946 /nfs/dbraw/zinc/09/59/46/384095946.db2.gz NVGNWTUDKYBQPA-KXUCPTDWSA-N 0 3 233.333 0.331 20 0 BCADHN CC(=O)NCCN(C)CCCn1ccnc1C ZINC000560405061 384118008 /nfs/dbraw/zinc/11/80/08/384118008.db2.gz ZEMQGSRDOCGXTC-UHFFFAOYSA-N 0 3 238.335 0.650 20 0 BCADHN C[C@H](CN[C@@H]1CCCCC[C@H]1O)S(C)(=O)=O ZINC000569484669 384109772 /nfs/dbraw/zinc/10/97/72/384109772.db2.gz BPTFCBMVLZZLLQ-GMTAPVOTSA-N 0 3 249.376 0.703 20 0 BCADHN O=C1CCCN1[C@@H]1CCCN([C@@H]2CCOC2)C1 ZINC000336553183 384114445 /nfs/dbraw/zinc/11/44/45/384114445.db2.gz RRNMSDYQQYVQFU-VXGBXAGGSA-N 0 3 238.331 0.862 20 0 BCADHN Cc1ccnc(NC(=O)C[C@H]2CNCCO2)c1 ZINC000091299241 384115986 /nfs/dbraw/zinc/11/59/86/384115986.db2.gz CBESPKVTXTXJRO-JTQLQIEISA-N 0 3 235.287 0.707 20 0 BCADHN CS(=O)(=O)N1CCCN(CC2CC2)CC1 ZINC000336555730 384135057 /nfs/dbraw/zinc/13/50/57/384135057.db2.gz GUVZLKBCNBKGDS-UHFFFAOYSA-N 0 3 232.349 0.364 20 0 BCADHN CCOC[C@H](O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000302267458 384121879 /nfs/dbraw/zinc/12/18/79/384121879.db2.gz CNYWAHAVIRZUDG-KOLCDFICSA-N 0 3 242.323 0.331 20 0 BCADHN CCN(C)CCNc1nccn2cnnc12 ZINC000070616581 384124792 /nfs/dbraw/zinc/12/47/92/384124792.db2.gz QWSJJWUPKFQABO-UHFFFAOYSA-N 0 3 220.280 0.488 20 0 BCADHN O=C1NCC[C@@H]1N1CCC[C@@]2(CCCOC2)C1 ZINC000336553815 384125562 /nfs/dbraw/zinc/12/55/62/384125562.db2.gz DZIPBDGZTRWJPM-WCQYABFASA-N 0 3 238.331 0.768 20 0 BCADHN O=C1NCC[C@H]1N1CCC[C@]2(CCCOC2)C1 ZINC000336553816 384126079 /nfs/dbraw/zinc/12/60/79/384126079.db2.gz DZIPBDGZTRWJPM-YPMHNXCESA-N 0 3 238.331 0.768 20 0 BCADHN COC[C@H](CCO)N[C@@H]1CO[C@@H](C)C1 ZINC000401857066 384146132 /nfs/dbraw/zinc/14/61/32/384146132.db2.gz GNEMTTBLLFFPTD-GUBZILKMSA-N 0 3 203.282 0.151 20 0 BCADHN CO[C@@H](C)[C@H](C)NCC(=O)NC(C)C ZINC000132232615 384153022 /nfs/dbraw/zinc/15/30/22/384153022.db2.gz VISHCBSLYGITSP-IUCAKERBSA-N 0 3 202.298 0.524 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1nccn1C ZINC000070854800 384139638 /nfs/dbraw/zinc/13/96/38/384139638.db2.gz QCXKBDUYDKDODN-LLVKDONJSA-N 0 3 224.308 0.554 20 0 BCADHN CC(C)[C@@H](N)c1cn(Cc2cncn2C)nn1 ZINC000302438015 384175128 /nfs/dbraw/zinc/17/51/28/384175128.db2.gz WDUOSERGWCOLFH-LLVKDONJSA-N 0 3 234.307 0.716 20 0 BCADHN CC[C@H](N)C(=O)NCCN(C)c1ccccc1 ZINC000040833283 384165138 /nfs/dbraw/zinc/16/51/38/384165138.db2.gz NWUHBPKPKBAQEX-LBPRGKRZSA-N 0 3 235.331 0.976 20 0 BCADHN CCCn1cc(CNC[C@H](O)COC)cn1 ZINC000117946272 384185814 /nfs/dbraw/zinc/18/58/14/384185814.db2.gz FNDJYTDJSBPEGV-NSHDSACASA-N 0 3 227.308 0.390 20 0 BCADHN COC[C@@H]1CCN(C(=O)C(C)(C)N)C1 ZINC000081062450 384180969 /nfs/dbraw/zinc/18/09/69/384180969.db2.gz JGKZTMSXLDQZIN-MRVPVSSYSA-N 0 3 200.282 0.219 20 0 BCADHN CO[C@H](C)[C@@H](C)NCC(=O)NC(C)(C)C ZINC000132319212 384186604 /nfs/dbraw/zinc/18/66/04/384186604.db2.gz OIKXNXCGDHUDMP-RKDXNWHRSA-N 0 3 216.325 0.914 20 0 BCADHN CCC1(CN[C@H]2CCCS(=O)(=O)C2)COC1 ZINC000309845002 384188558 /nfs/dbraw/zinc/18/85/58/384188558.db2.gz GBRBPUHJKNXFBH-JTQLQIEISA-N 0 3 247.360 0.580 20 0 BCADHN Cc1[nH]ncc1CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000408062569 384191990 /nfs/dbraw/zinc/19/19/90/384191990.db2.gz NBTWSUXBJSRQLZ-JTQLQIEISA-N 0 3 243.332 0.337 20 0 BCADHN CC[C@H](CN1CCNC(=O)C[C@@H]1C)OC ZINC000642699138 384195284 /nfs/dbraw/zinc/19/52/84/384195284.db2.gz WIGARLNBCLHKCP-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN COCC[C@@H](C)NCC(=O)NCC1CC1 ZINC000081713141 384198949 /nfs/dbraw/zinc/19/89/49/384198949.db2.gz SUHJFXZJVFCRLU-SECBINFHSA-N 0 3 214.309 0.527 20 0 BCADHN O=C(N[C@H]1CCOC1)[C@@H]1CNCCC1(F)F ZINC000644160463 384230687 /nfs/dbraw/zinc/23/06/87/384230687.db2.gz PZVFVIJTXBOENH-YUMQZZPRSA-N 0 3 234.246 0.136 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCOC[C@@H]1C1CC1 ZINC000644160489 384232365 /nfs/dbraw/zinc/23/23/65/384232365.db2.gz RGNDTGNSUMCZKV-MNOVXSKESA-N 0 3 238.331 0.622 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)[C@@H]1NCC1(C)C ZINC000644160755 384233660 /nfs/dbraw/zinc/23/36/60/384233660.db2.gz DSGCXBAPDMGKQC-CIUDSAMLSA-N 0 3 214.309 0.524 20 0 BCADHN Cc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1N ZINC000644161123 384234879 /nfs/dbraw/zinc/23/48/79/384234879.db2.gz OBOCADIZWZLPIQ-NSHDSACASA-N 0 3 249.314 0.295 20 0 BCADHN C[C@H]1CCN(C(=O)C2CCN(C)CC2)C[C@@H]1O ZINC000336615071 384237131 /nfs/dbraw/zinc/23/71/31/384237131.db2.gz SCGKDEAQKZTLIG-JQWIXIFHSA-N 0 3 240.347 0.558 20 0 BCADHN COC[C@@H](C)N1CCCN(C(N)=O)CC1 ZINC000173620316 384239619 /nfs/dbraw/zinc/23/96/19/384239619.db2.gz WVEURSHSPSYMPH-SECBINFHSA-N 0 3 215.297 0.108 20 0 BCADHN CCN(CC)CCN[C@@H](C)CS(C)(=O)=O ZINC000081898814 384210251 /nfs/dbraw/zinc/21/02/51/384210251.db2.gz PHPMPJKEOPZSJT-JTQLQIEISA-N 0 3 236.381 0.351 20 0 BCADHN COC[C@H](C)N[C@H](C)CS(C)(=O)=O ZINC000081898674 384210301 /nfs/dbraw/zinc/21/03/01/384210301.db2.gz SRILXDWBJYPKMX-JGVFFNPUSA-N 0 3 209.311 0.044 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@H]1CCCCO1 ZINC000081900920 384210730 /nfs/dbraw/zinc/21/07/30/384210730.db2.gz FQSBJDFMVSBEHR-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CCCCNC(=O)CN[C@@H](C)Cn1cccn1 ZINC000042269813 384212120 /nfs/dbraw/zinc/21/21/20/384212120.db2.gz TXJJTLHBKJJIRJ-NSHDSACASA-N 0 3 238.335 0.778 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@H]1CCCO1 ZINC000081898887 384212218 /nfs/dbraw/zinc/21/22/18/384212218.db2.gz HUXQRKBVDGMZHY-RKDXNWHRSA-N 0 3 221.322 0.188 20 0 BCADHN Cc1cc(NC(=O)[C@@]2(F)CCNC2)ccn1 ZINC000370767529 384213157 /nfs/dbraw/zinc/21/31/57/384213157.db2.gz UZGWXEVZHTVXIG-LLVKDONJSA-N 0 3 223.251 0.452 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@H]1CCCSC1 ZINC000081902763 384214655 /nfs/dbraw/zinc/21/46/55/384214655.db2.gz WHLUVJUBSMJWTB-IUCAKERBSA-N 0 3 237.390 0.905 20 0 BCADHN CO[C@H](C)C(=O)N(C)C[C@H]1CCCN1C ZINC000227943493 134399784 /nfs/dbraw/zinc/39/97/84/134399784.db2.gz FAUGYALYJCCCBQ-NXEZZACHSA-N 0 3 214.309 0.574 20 0 BCADHN COc1ccc([C@@H](C)NC(=O)CN)cc1 ZINC000082594604 384240515 /nfs/dbraw/zinc/24/05/15/384240515.db2.gz CYBNRPREYFBXQB-MRVPVSSYSA-N 0 3 208.261 0.831 20 0 BCADHN C[C@]1(O)CCN(CCc2cnccn2)C1 ZINC000402899730 384221605 /nfs/dbraw/zinc/22/16/05/384221605.db2.gz KRIFPXHEUMVEDP-NSHDSACASA-N 0 3 207.277 0.476 20 0 BCADHN CCCCN(CC)C(=O)CNCCOC ZINC000082285102 384221902 /nfs/dbraw/zinc/22/19/02/384221902.db2.gz TVPRDEULRLKMAC-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCCn2nccc21 ZINC000644155716 384222411 /nfs/dbraw/zinc/22/24/11/384222411.db2.gz BAXFNBPCBXYQHO-JTQLQIEISA-N 0 3 234.303 0.618 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292616845 384223922 /nfs/dbraw/zinc/22/39/22/384223922.db2.gz UEDMRYTWBKCHRF-CYBMUJFWSA-N 0 3 248.330 0.886 20 0 BCADHN COCCC1(CNC(=O)[C@@H]2NCC2(C)C)CC1 ZINC000644156019 384224663 /nfs/dbraw/zinc/22/46/63/384224663.db2.gz UYCAFLHYTXJQGX-JTQLQIEISA-N 0 3 240.347 0.917 20 0 BCADHN CO[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1NCC1(C)C ZINC000644155855 384224740 /nfs/dbraw/zinc/22/47/40/384224740.db2.gz WHHWKYNUFRHQPW-GMTAPVOTSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@@H]1C[C@H](CNC(=O)[C@H]2NCC2(C)C)CCO1 ZINC000644157615 384227764 /nfs/dbraw/zinc/22/77/64/384227764.db2.gz CFZZBBFAELAFLO-GMTAPVOTSA-N 0 3 240.347 0.916 20 0 BCADHN Cn1cc(CCNCc2ncc[nH]2)cn1 ZINC000082395019 384227879 /nfs/dbraw/zinc/22/78/79/384227879.db2.gz VMOLSZDELHIAGI-UHFFFAOYSA-N 0 3 205.265 0.476 20 0 BCADHN CN(Cc1ccn(C)c1)CC(C)(CO)CO ZINC000093502657 384245047 /nfs/dbraw/zinc/24/50/47/384245047.db2.gz CBCHCUVMOJDCOQ-UHFFFAOYSA-N 0 3 226.320 0.448 20 0 BCADHN O=C1CCN(Cc2ccc3c[nH]nc3c2)CCN1 ZINC000119209054 384247968 /nfs/dbraw/zinc/24/79/68/384247968.db2.gz HVPLTMNOGYUYTM-UHFFFAOYSA-N 0 3 244.298 0.885 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000449880731 384249421 /nfs/dbraw/zinc/24/94/21/384249421.db2.gz PXQLWPHTQPIMGJ-IJLUTSLNSA-N 0 3 240.347 0.822 20 0 BCADHN CC[C@@](C)(CN[C@@H]1CC(=O)N(C)C1)OC ZINC000319450425 384249477 /nfs/dbraw/zinc/24/94/77/384249477.db2.gz MZIHYICXHRINPI-KOLCDFICSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)C[C@H](O)c1ccccc1 ZINC000119233049 384250355 /nfs/dbraw/zinc/25/03/55/384250355.db2.gz HYNKPHZRCKHMQD-FOGDFJRCSA-N 0 3 236.315 0.962 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2CCCCNC2=O)CO1 ZINC000401906236 384253202 /nfs/dbraw/zinc/25/32/02/384253202.db2.gz UBCUNGJJXIDFAV-UTLUCORTSA-N 0 3 212.293 0.422 20 0 BCADHN C[C@@H]1C[C@@H](N[C@@H]2CCCCNC2=O)CO1 ZINC000401906235 384253560 /nfs/dbraw/zinc/25/35/60/384253560.db2.gz UBCUNGJJXIDFAV-OPRDCNLKSA-N 0 3 212.293 0.422 20 0 BCADHN C[C@@H]1CN(C(=O)c2cnsn2)[C@@H](C)CN1 ZINC000083118346 384277447 /nfs/dbraw/zinc/27/74/47/384277447.db2.gz OVJCKDLJQGMZFJ-RQJHMYQMSA-N 0 3 226.305 0.361 20 0 BCADHN Cn1cc(CNCC2(O)CCCC2)cn1 ZINC000082687288 384255422 /nfs/dbraw/zinc/25/54/22/384255422.db2.gz LRSOSGVAQDWCLY-UHFFFAOYSA-N 0 3 209.293 0.815 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000119332035 384260113 /nfs/dbraw/zinc/26/01/13/384260113.db2.gz FALNCJSPWVWDGY-WCQGTBRESA-N 0 3 234.299 0.980 20 0 BCADHN CN1CCC(NC(=O)c2cccc(=O)n2C)CC1 ZINC000156155013 384271554 /nfs/dbraw/zinc/27/15/54/384271554.db2.gz RYNWYXKZZZNNHC-UHFFFAOYSA-N 0 3 249.314 0.209 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@H](C)O)N(C)C ZINC000119458438 384275004 /nfs/dbraw/zinc/27/50/04/384275004.db2.gz ZWPHAGIFBSOOCP-DTWKUNHWSA-N 0 3 202.298 0.070 20 0 BCADHN CCNC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000082944106 384275345 /nfs/dbraw/zinc/27/53/45/384275345.db2.gz HBXSWHFOCOBHIT-IEBDPFPHSA-N 0 3 226.320 0.526 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000119478499 384276171 /nfs/dbraw/zinc/27/61/71/384276171.db2.gz GJBUMGJCFRPIQS-WCBMZHEXSA-N 0 3 240.328 0.995 20 0 BCADHN CC[C@H](CO)N1CCN([C@H](C)COC)CC1 ZINC000174134472 384304781 /nfs/dbraw/zinc/30/47/81/384304781.db2.gz MSWBERVPNMLFOZ-VXGBXAGGSA-N 0 3 230.352 0.410 20 0 BCADHN [NH3+]C[C@H]([N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000083565526 384310823 /nfs/dbraw/zinc/31/08/23/384310823.db2.gz GFJWPDRSPHZARL-QMMMGPOBSA-N 0 3 246.357 0.764 20 0 BCADHN CC1(C)CC[C@H](CN2CC[C@@H](CO)[C@H](O)C2)O1 ZINC000560705493 384311931 /nfs/dbraw/zinc/31/19/31/384311931.db2.gz PLPYPJALZZRBMH-QJPTWQEYSA-N 0 3 243.347 0.619 20 0 BCADHN CNC(=O)[C@H](CC(C)C)N[C@H]1CO[C@@H](C)C1 ZINC000401934596 384313462 /nfs/dbraw/zinc/31/34/62/384313462.db2.gz ZOIBCEKUOGNALQ-AXFHLTTASA-N 0 3 228.336 0.914 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@@H](N)C2CCC2)CC[C@H]1C ZINC000332489851 384316508 /nfs/dbraw/zinc/31/65/08/384316508.db2.gz XPXPEPJJLWMCGB-JLLWLGSASA-N 0 3 240.347 0.997 20 0 BCADHN C[C@H](N[C@@H]1CCCCNC1=O)[C@@H]1CCCO1 ZINC000035735759 384317446 /nfs/dbraw/zinc/31/74/46/384317446.db2.gz VFFKWNCOVKIRPJ-AXFHLTTASA-N 0 3 226.320 0.812 20 0 BCADHN CCS(=O)(=O)N1C[C@H](N)Cc2ccccc21 ZINC000069731430 384317750 /nfs/dbraw/zinc/31/77/50/384317750.db2.gz UHSKSDFEQRVNEE-SNVBAGLBSA-N 0 3 240.328 0.726 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@H](N)C2CCC2)CC[C@H]1C ZINC000332489854 384317791 /nfs/dbraw/zinc/31/77/91/384317791.db2.gz XPXPEPJJLWMCGB-YUSALJHKSA-N 0 3 240.347 0.997 20 0 BCADHN CC(C)NC(=O)CN[C@H]1CO[C@@H](C)C1 ZINC000401943087 384318237 /nfs/dbraw/zinc/31/82/37/384318237.db2.gz PQMNYMZKJLAAJX-DTWKUNHWSA-N 0 3 200.282 0.278 20 0 BCADHN N[C@@H](C(=O)N[C@@H]1CCCC[C@H]1O)C1CCC1 ZINC000332504979 384320502 /nfs/dbraw/zinc/32/05/02/384320502.db2.gz YBRUHCITMWSYIA-GMTAPVOTSA-N 0 3 226.320 0.534 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N1CC[C@H](C)[C@@H]1C ZINC000248369245 384279342 /nfs/dbraw/zinc/27/93/42/384279342.db2.gz WAYXKPBWYOJLBA-GUBZILKMSA-N 0 3 242.319 0.394 20 0 BCADHN CO[C@@H]1CCN(Cc2ccnc(N)c2)C1 ZINC000300045567 384285244 /nfs/dbraw/zinc/28/52/44/384285244.db2.gz LTRQZPCZMQAVGQ-SNVBAGLBSA-N 0 3 207.277 0.885 20 0 BCADHN CC(C)Cn1cc(C(=O)NCCN(C)C)cn1 ZINC000119973310 384321413 /nfs/dbraw/zinc/32/14/13/384321413.db2.gz LVPDRRZVIBZTNO-UHFFFAOYSA-N 0 3 238.335 0.831 20 0 BCADHN CCOc1ccccc1CNC(=O)CN ZINC000083345379 384289170 /nfs/dbraw/zinc/28/91/70/384289170.db2.gz DHHIYLPVGBPODM-UHFFFAOYSA-N 0 3 208.261 0.660 20 0 BCADHN c1cn(CCN2CCC3(CC2)OCCO3)cn1 ZINC000119663063 384292686 /nfs/dbraw/zinc/29/26/86/384292686.db2.gz AUXGRARTCGAOKI-UHFFFAOYSA-N 0 3 237.303 0.722 20 0 BCADHN COC(=O)Cn1cc(CNCC(C)(C)C)nn1 ZINC000119995582 384321760 /nfs/dbraw/zinc/32/17/60/384321760.db2.gz NLBUJJBUYORZAS-UHFFFAOYSA-N 0 3 240.307 0.587 20 0 BCADHN CN(C)CCNC(=O)NCCc1nccs1 ZINC000133560332 384298169 /nfs/dbraw/zinc/29/81/69/384298169.db2.gz JJAVTAFPCMGUBO-UHFFFAOYSA-N 0 3 242.348 0.546 20 0 BCADHN CC[C@@H](N)C(=O)NCCCCC(=O)OC ZINC000083348621 384299453 /nfs/dbraw/zinc/29/94/53/384299453.db2.gz RGDHVJLGAMZMHY-MRVPVSSYSA-N 0 3 216.281 0.183 20 0 BCADHN CC[C@H](O)CN1CCN(CCCCCO)CC1 ZINC000174077851 384300570 /nfs/dbraw/zinc/30/05/70/384300570.db2.gz QXMLOSMVYZTZEV-ZDUSSCGKSA-N 0 3 244.379 0.538 20 0 BCADHN CN(C)CCNC(=O)Cc1ccncc1 ZINC000074724880 384302604 /nfs/dbraw/zinc/30/26/04/384302604.db2.gz MMQLBYNFVUTZBM-UHFFFAOYSA-N 0 3 207.277 0.302 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)C1(N)CC1 ZINC000083833932 384336393 /nfs/dbraw/zinc/33/63/93/384336393.db2.gz UPDBUKBQHGEESM-VIFPVBQESA-N 0 3 211.309 0.078 20 0 BCADHN C[C@H](NCCC(=O)N(C)C)c1cnn(C)c1 ZINC000044499030 384339596 /nfs/dbraw/zinc/33/95/96/384339596.db2.gz SONBYQBZQKPQQK-VIFPVBQESA-N 0 3 224.308 0.549 20 0 BCADHN CN(C)CCSCCN1C(=O)CCC1=O ZINC000120251772 384340184 /nfs/dbraw/zinc/34/01/84/384340184.db2.gz ZODXOSJDMQXQDK-UHFFFAOYSA-N 0 3 230.333 0.430 20 0 BCADHN C[C@H]1OCC[C@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000134259014 384343339 /nfs/dbraw/zinc/34/33/39/384343339.db2.gz UOCKZEWPFGYYAR-KGYLQXTDSA-N 0 3 248.326 0.850 20 0 BCADHN C[C@@H](CNCc1ncc[nH]1)CN1CCOCC1 ZINC000120273521 384344087 /nfs/dbraw/zinc/34/40/87/384344087.db2.gz XWDXOYDAGMSSTL-NSHDSACASA-N 0 3 238.335 0.468 20 0 BCADHN C[C@@H]1OCC[C@@H]1NC(=O)[C@H](N)Cc1ccccc1 ZINC000134257504 384344159 /nfs/dbraw/zinc/34/41/59/384344159.db2.gz UOCKZEWPFGYYAR-UHTWSYAYSA-N 0 3 248.326 0.850 20 0 BCADHN NCC(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000083932047 384347565 /nfs/dbraw/zinc/34/75/65/384347565.db2.gz ILTPEAQBDZUQLU-VIFPVBQESA-N 0 3 224.235 0.724 20 0 BCADHN CC(C)[C@H](C(=O)NCc1ncn(C)n1)N(C)C ZINC000120370477 384349855 /nfs/dbraw/zinc/34/98/55/384349855.db2.gz DJNJWVZPFYTJGY-SNVBAGLBSA-N 0 3 239.323 0.018 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccc2c1OCCO2 ZINC000083958667 384352114 /nfs/dbraw/zinc/35/21/14/384352114.db2.gz ZYDKNHXALGKTNG-SSDOTTSWSA-N 0 3 222.244 0.744 20 0 BCADHN C[C@H](O)CCCN1CCN(C)C[C@H]1C ZINC000300357452 384357436 /nfs/dbraw/zinc/35/74/36/384357436.db2.gz ZGNULDIHEIGJQY-MNOVXSKESA-N 0 3 200.326 0.783 20 0 BCADHN COC(C)(C)CN(C)[C@H]1CCCNC1=O ZINC000533479107 384362921 /nfs/dbraw/zinc/36/29/21/384362921.db2.gz MPWYYCCRLCXOGN-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN Cn1nncc1CN[C@H]1CCC[C@H]1CCO ZINC000330364112 384363062 /nfs/dbraw/zinc/36/30/62/384363062.db2.gz DYVMNMWTNOECAS-ONGXEEELSA-N 0 3 224.308 0.456 20 0 BCADHN C[C@]1(CNC(=O)CN)CCCC[C@@H]1O ZINC000237741897 384363867 /nfs/dbraw/zinc/36/38/67/384363867.db2.gz SZYOKBRRALHJOH-WCBMZHEXSA-N 0 3 200.282 0.003 20 0 BCADHN Cc1cnn(CCN2C[C@H](O)C[C@H]2C)c1 ZINC000335594488 384364048 /nfs/dbraw/zinc/36/40/48/384364048.db2.gz LEWSQGXXQBRNRK-GHMZBOCLSA-N 0 3 209.293 0.647 20 0 BCADHN CN1CCC(C(=O)N2CCn3nccc32)CC1 ZINC000560810871 384366948 /nfs/dbraw/zinc/36/69/48/384366948.db2.gz TUGGWVLDGMVWPQ-UHFFFAOYSA-N 0 3 234.303 0.572 20 0 BCADHN CC(C)[C@H](NCc1cnnn1C)C(C)(C)O ZINC000330364684 384368682 /nfs/dbraw/zinc/36/86/82/384368682.db2.gz UPVXKSMAILEBHK-JTQLQIEISA-N 0 3 226.324 0.700 20 0 BCADHN Cn1cc(CN[C@H]2CCC[C@H]2CCO)nn1 ZINC000330364631 384370796 /nfs/dbraw/zinc/37/07/96/384370796.db2.gz SZKRCMAGRHXGBB-ONGXEEELSA-N 0 3 224.308 0.456 20 0 BCADHN Cc1nc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)n[nH]1 ZINC000331531230 384371013 /nfs/dbraw/zinc/37/10/13/384371013.db2.gz QZMCGFFBYHYCCP-GARJFASQSA-N 0 3 236.319 0.706 20 0 BCADHN CC(C)[C@H](C(=O)N1CC[C@@H](C)[C@H](O)C1)N(C)C ZINC000357876470 384327787 /nfs/dbraw/zinc/32/77/87/384327787.db2.gz DCSBAZAHQXXEPP-IJLUTSLNSA-N 0 3 242.363 0.802 20 0 BCADHN CCCNC(=O)CN[C@@H]1CO[C@@H](C)C1 ZINC000401954231 384328708 /nfs/dbraw/zinc/32/87/08/384328708.db2.gz WYSJQJKURYSZLX-IUCAKERBSA-N 0 3 200.282 0.280 20 0 BCADHN CC(C)CCOCCNC(=O)C1(N)CC1 ZINC000083835701 384334559 /nfs/dbraw/zinc/33/45/59/384334559.db2.gz CSOBPKKWBGEYLU-UHFFFAOYSA-N 0 3 214.309 0.657 20 0 BCADHN COCCN(Cc1cncs1)C(=O)CN ZINC000648174343 384393058 /nfs/dbraw/zinc/39/30/58/384393058.db2.gz IHWPYTQPLNSXGF-UHFFFAOYSA-N 0 3 229.305 0.077 20 0 BCADHN CN1C(=O)CC[C@@H](N[C@H]2CCSC2)C1=O ZINC000084406618 384394314 /nfs/dbraw/zinc/39/43/14/384394314.db2.gz CHTZDQLHWFESRL-JGVFFNPUSA-N 0 3 228.317 0.229 20 0 BCADHN CCCNC(=O)CN[C@@H](CO)[C@H](C)CCC ZINC000564578544 384395141 /nfs/dbraw/zinc/39/51/41/384395141.db2.gz WYTGITRCCNOLHN-MNOVXSKESA-N 0 3 230.352 0.899 20 0 BCADHN CCC[C@H](N)C(=O)NCc1ccc(=O)[nH]c1 ZINC000262674877 384399203 /nfs/dbraw/zinc/39/92/03/384399203.db2.gz RLLHNLRJYYFDHG-VIFPVBQESA-N 0 3 223.276 0.531 20 0 BCADHN Cc1c(/C=C\C(=O)NCCN(C)C)cnn1C ZINC000255115992 384404848 /nfs/dbraw/zinc/40/48/48/384404848.db2.gz LOGOJMZLZCMXMP-WAYWQWQTSA-N 0 3 236.319 0.420 20 0 BCADHN C[C@@H](NCCCNS(C)(=O)=O)c1ccco1 ZINC000121263544 384406696 /nfs/dbraw/zinc/40/66/96/384406696.db2.gz XGZPUQFLZMOXKE-SECBINFHSA-N 0 3 246.332 0.870 20 0 BCADHN CCCNC(=O)NC(=O)CN(C)[C@@H](C)CC ZINC000170790524 384408149 /nfs/dbraw/zinc/40/81/49/384408149.db2.gz YNVYVEMBVSVAQS-VIFPVBQESA-N 0 3 229.324 0.953 20 0 BCADHN CN1CCC(O)(CNC(=O)[C@@]2(C)C[C@H]2F)CC1 ZINC000335633620 384409240 /nfs/dbraw/zinc/40/92/40/384409240.db2.gz LJFUWRZYKGQOQO-KOLCDFICSA-N 0 3 244.310 0.307 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000146950197 384426780 /nfs/dbraw/zinc/42/67/80/384426780.db2.gz ISBGTXMBQDOPDR-RWMBFGLXSA-N 0 3 248.326 0.744 20 0 BCADHN Cn1cc([C@@H](CO)NCCC2CC2)cn1 ZINC000331644981 384412150 /nfs/dbraw/zinc/41/21/50/384412150.db2.gz KGAFWABNVBLACP-LLVKDONJSA-N 0 3 209.293 0.843 20 0 BCADHN CN(C)CCNc1ccnc(C(N)=O)c1 ZINC000035673270 384415498 /nfs/dbraw/zinc/41/54/98/384415498.db2.gz KWYNILRLXFGDMH-UHFFFAOYSA-N 0 3 208.265 0.154 20 0 BCADHN Cc1n[nH]cc1CN[C@@H]1CN(C)C[C@H]1C ZINC000335609141 384384557 /nfs/dbraw/zinc/38/45/57/384384557.db2.gz ZGFLRAYIIHNVAH-LDYMZIIASA-N 0 3 208.309 0.758 20 0 BCADHN Cn1cc(CN[C@H]2CCC(=O)N[C@@H]2C2CC2)cn1 ZINC000367404271 384390832 /nfs/dbraw/zinc/39/08/32/384390832.db2.gz GGUSVIBQUPNTKG-WCQYABFASA-N 0 3 248.330 0.567 20 0 BCADHN CN(C)CCN(C)C(=O)Nc1cnn(C)c1 ZINC000078469174 384448046 /nfs/dbraw/zinc/44/80/46/384448046.db2.gz IHEUOPFOYBZCHM-UHFFFAOYSA-N 0 3 225.296 0.445 20 0 BCADHN C[C@@]1(C(=O)NCC(F)F)CCCCN1 ZINC000159579374 384448120 /nfs/dbraw/zinc/44/81/20/384448120.db2.gz CJFMAUBUIRAFMH-VIFPVBQESA-N 0 3 206.236 0.900 20 0 BCADHN CN1CC[C@@H]2OCCN(c3cccnn3)[C@H]2C1 ZINC000556678095 384448813 /nfs/dbraw/zinc/44/88/13/384448813.db2.gz UVUFXMWMFLXHMU-QWRGUYRKSA-N 0 3 234.303 0.386 20 0 BCADHN CC1(CNC(=O)[C@@]2(C)CCCCN2)COC1 ZINC000159580035 384449238 /nfs/dbraw/zinc/44/92/38/384449238.db2.gz WLCLILTUWZQFHF-GFCCVEGCSA-N 0 3 226.320 0.671 20 0 BCADHN CC[C@H](O)CN[C@H](C)[C@@H](O)C(F)(F)F ZINC000647515134 384450244 /nfs/dbraw/zinc/45/02/44/384450244.db2.gz QZJQPOPPUPPOOE-DSYKOEDSSA-N 0 3 215.215 0.659 20 0 BCADHN N[C@@H](C(=O)N[C@@H]1CCCOCC1)C1CCC1 ZINC000335654580 384450510 /nfs/dbraw/zinc/45/05/10/384450510.db2.gz VJTFYQGSZHPNCP-GHMZBOCLSA-N 0 3 226.320 0.799 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN(C)[C@H]1CCOC1 ZINC000300264035 384451497 /nfs/dbraw/zinc/45/14/97/384451497.db2.gz ZDWUYLRZNYHBCI-SDDRHHMPSA-N 0 3 247.335 0.120 20 0 BCADHN CC1(OCC(=O)N[C@@H]2CC23CC3)CNC1 ZINC000648179970 384451987 /nfs/dbraw/zinc/45/19/87/384451987.db2.gz TXJBVNOBDNNDDB-MRVPVSSYSA-N 0 3 210.277 0.034 20 0 BCADHN CCN(CC)CC(=O)NCc1ccc(=O)[nH]c1 ZINC000135601266 384454362 /nfs/dbraw/zinc/45/43/62/384454362.db2.gz TZQFFHTYRPUPEF-UHFFFAOYSA-N 0 3 237.303 0.745 20 0 BCADHN C[C@H](CN[C@@H]1COC(C)(C)C1)S(C)(=O)=O ZINC000521372170 384427875 /nfs/dbraw/zinc/42/78/75/384427875.db2.gz ZRKKVDPJIRALRV-BDAKNGLRSA-N 0 3 235.349 0.577 20 0 BCADHN O=C(c1nc[nH]n1)N1CC[C@@H](N2CCCC2)C1 ZINC000095042305 384428137 /nfs/dbraw/zinc/42/81/37/384428137.db2.gz KDAIECLMKWVCJV-SECBINFHSA-N 0 3 235.291 0.115 20 0 BCADHN CCC[C@](C)(N)C(=O)NCC(=O)N1CCCC1 ZINC000135249285 384429402 /nfs/dbraw/zinc/42/94/02/384429402.db2.gz TUIUBHGXTBKNPX-LBPRGKRZSA-N 0 3 241.335 0.243 20 0 BCADHN CC(C)N1CCN(CCCCO)CC1 ZINC000036190663 384431623 /nfs/dbraw/zinc/43/16/23/384431623.db2.gz YXYDHQASZJWNBC-UHFFFAOYSA-N 0 3 200.326 0.785 20 0 BCADHN [NH3+][C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC000082590830 384433627 /nfs/dbraw/zinc/43/36/27/384433627.db2.gz QSAQKFCBQFMBSP-SNVBAGLBSA-N 0 3 220.272 0.859 20 0 BCADHN COC[C@H](C)CN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000556626472 384438846 /nfs/dbraw/zinc/43/88/46/384438846.db2.gz NYIJZUYECUHEDE-AGIUHOORSA-N 0 3 244.379 0.656 20 0 BCADHN CN(CC1(O)CCCCCC1)[C@H]1COC[C@@H]1O ZINC000361377059 384440567 /nfs/dbraw/zinc/44/05/67/384440567.db2.gz HRQACEDIFJKSHS-RYUDHWBXSA-N 0 3 243.347 0.763 20 0 BCADHN O=C(NCCNc1ccncc1)[C@@H]1CCCCO1 ZINC000533818268 384440470 /nfs/dbraw/zinc/44/04/70/384440470.db2.gz ZHJTVVRHEJIWMF-LBPRGKRZSA-N 0 3 249.314 0.601 20 0 BCADHN C[C@](O)(CN1CC[C@@H](O)C1)c1ccccc1 ZINC000078747019 384460049 /nfs/dbraw/zinc/46/00/49/384460049.db2.gz ZMDIPJXYEDSQKR-OLZOCXBDSA-N 0 3 221.300 0.961 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H]1CCCc2c1cnn2C ZINC000135712167 384460588 /nfs/dbraw/zinc/46/05/88/384460588.db2.gz WPNZWPDXHGFJHR-PSASIEDQSA-N 0 3 236.319 0.651 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc(N(C)C)nc1 ZINC000037020089 384469947 /nfs/dbraw/zinc/46/99/47/384469947.db2.gz MGFGIPNOLJXZPD-SSDOTTSWSA-N 0 3 208.265 0.433 20 0 BCADHN Cn1ncc2c1CCC[C@@H]2NCCCO ZINC000037051840 384472205 /nfs/dbraw/zinc/47/22/05/384472205.db2.gz VWCOMMMZRAPMGW-JTQLQIEISA-N 0 3 209.293 0.770 20 0 BCADHN O[C@@H]1COCCN(CCC[C@@H]2CCOC2)C1 ZINC000400563024 384476228 /nfs/dbraw/zinc/47/62/28/384476228.db2.gz SHUXNPWJJYFGIX-NEPJUHHUSA-N 0 3 229.320 0.496 20 0 BCADHN CN(C)C[C@H]1CCCCN1C(=O)c1cc[nH]n1 ZINC000066946753 384477960 /nfs/dbraw/zinc/47/79/60/384477960.db2.gz SRTMAUOMMCILCP-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN CCOCCCNC(=O)C1(N)CCOCC1 ZINC000149638283 384482100 /nfs/dbraw/zinc/48/21/00/384482100.db2.gz FNBNMCZJSNDURD-UHFFFAOYSA-N 0 3 230.308 0.037 20 0 BCADHN CC[C@H](COC)NC(=O)C1(N)CCOCC1 ZINC000149734058 384482211 /nfs/dbraw/zinc/48/22/11/384482211.db2.gz XNNLFZNIXPYMDX-SECBINFHSA-N 0 3 230.308 0.036 20 0 BCADHN CNCC(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000178750648 384483230 /nfs/dbraw/zinc/48/32/30/384483230.db2.gz IYBQJVOYRQGFJF-UHFFFAOYSA-N 0 3 245.286 0.484 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCc1ccncc1 ZINC000048262315 384484319 /nfs/dbraw/zinc/48/43/19/384484319.db2.gz NVEADOXPTGXKOP-LLVKDONJSA-N 0 3 221.304 0.724 20 0 BCADHN Cc1ccc(C(=O)NC[C@@H](C)N2CCCC2)nn1 ZINC000556809310 384495275 /nfs/dbraw/zinc/49/52/75/384495275.db2.gz BJXMUICRIZVDHL-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCC[C@]2(C)CO)C1 ZINC000568206015 384499342 /nfs/dbraw/zinc/49/93/42/384499342.db2.gz AIJGHEJGMAWSJY-DGCLKSJQSA-N 0 3 240.347 0.702 20 0 BCADHN COC[C@@H](C)NC(=O)C1(N)CCCC1 ZINC000037479376 384502297 /nfs/dbraw/zinc/50/22/97/384502297.db2.gz QIVDCBGFHCHTLS-MRVPVSSYSA-N 0 3 200.282 0.409 20 0 BCADHN CCC[C@@](C)(N)C(=O)Nc1ccn(C)n1 ZINC000037481554 384502762 /nfs/dbraw/zinc/50/27/62/384502762.db2.gz JUTRTPSEYQYZKD-SNVBAGLBSA-N 0 3 210.281 0.876 20 0 BCADHN C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCCN2C)CCN1C ZINC000356845845 384503798 /nfs/dbraw/zinc/50/37/98/384503798.db2.gz JAQPXBKHQBURAP-WOPDTQHZSA-N 0 3 239.363 0.632 20 0 BCADHN COC(C)(C)CN(C)C(=O)C(C)(C)N ZINC000404269269 384505616 /nfs/dbraw/zinc/50/56/16/384505616.db2.gz IAYFUUGRVIXGOJ-UHFFFAOYSA-N 0 3 202.298 0.607 20 0 BCADHN COC[C@@H](NC1CN(C(=O)OC)C1)C(C)C ZINC000181472014 384507493 /nfs/dbraw/zinc/50/74/93/384507493.db2.gz JRTJTBPQKZHNFR-SNVBAGLBSA-N 0 3 230.308 0.698 20 0 BCADHN COC[C@H](C)NC1CN(C(=O)OC)C1 ZINC000181463923 384507940 /nfs/dbraw/zinc/50/79/40/384507940.db2.gz KAAKFQMIPGGUOP-ZETCQYMHSA-N 0 3 202.254 0.062 20 0 BCADHN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)CN ZINC000122745706 384508388 /nfs/dbraw/zinc/50/83/88/384508388.db2.gz HPLCLFNVIXABMI-KWQFWETISA-N 0 3 240.278 0.713 20 0 BCADHN CC(C)c1nc(S(=O)(=O)[N-]C[C@H](C)[NH3+])c[nH]1 ZINC000647273453 384508989 /nfs/dbraw/zinc/50/89/89/384508989.db2.gz QOPYKTYOXKKCKO-ZETCQYMHSA-N 0 3 246.336 0.159 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC000335038643 384509422 /nfs/dbraw/zinc/50/94/22/384509422.db2.gz MTJFMUWAJZRYJN-NXEZZACHSA-N 0 3 208.305 0.997 20 0 BCADHN COCC[C@@H](C)NCc1cncnc1OC ZINC000647177479 384509539 /nfs/dbraw/zinc/50/95/39/384509539.db2.gz AEOBDUBFKZSKPA-SECBINFHSA-N 0 3 225.292 1.000 20 0 BCADHN CN(C)c1ncc(CN[C@]2(C)CCOC2)n1C ZINC000161655311 384512157 /nfs/dbraw/zinc/51/21/57/384512157.db2.gz MJLRDLXLMGEKLX-GFCCVEGCSA-N 0 3 238.335 0.755 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCc2n[nH]cc2C1 ZINC000335706704 384486904 /nfs/dbraw/zinc/48/69/04/384486904.db2.gz ZTZUOLUQZZCAIM-GFCCVEGCSA-N 0 3 236.319 0.812 20 0 BCADHN CO[C@H]1CCCC[C@@H]1NCC(=O)N(C)C ZINC000037254410 384489182 /nfs/dbraw/zinc/48/91/82/384489182.db2.gz YXICRLAYZSXOIT-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN [NH3+][C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000647271736 384491297 /nfs/dbraw/zinc/49/12/97/384491297.db2.gz GBWNWRWHQPYOCE-OCAPTIKFSA-N 0 3 244.291 0.594 20 0 BCADHN CCN1CCN(CCOCCOC)CC1 ZINC000079384455 384493937 /nfs/dbraw/zinc/49/39/37/384493937.db2.gz MSIULZXCEOJMAQ-UHFFFAOYSA-N 0 3 216.325 0.287 20 0 BCADHN CCOCCNC(=O)C1(N)Cc2ccccc2C1 ZINC000151028635 384534552 /nfs/dbraw/zinc/53/45/52/384534552.db2.gz PWLUUGGUMMQCNE-UHFFFAOYSA-N 0 3 248.326 0.635 20 0 BCADHN CC[C@H](N)C(=O)NCCc1cccnc1 ZINC000037718408 384513524 /nfs/dbraw/zinc/51/35/24/384513524.db2.gz KRYKSUJVJGZFOY-JTQLQIEISA-N 0 3 207.277 0.478 20 0 BCADHN CO[C@H](CNC(=O)[C@H](N)CCSC)C(C)C ZINC000353243885 384514094 /nfs/dbraw/zinc/51/40/94/384514094.db2.gz MVQVLWOXMSIVDJ-NXEZZACHSA-N 0 3 248.392 0.854 20 0 BCADHN CCCC(=O)N[C@H]1CCCN(C[C@H](C)O)C1 ZINC000249637734 384515222 /nfs/dbraw/zinc/51/52/22/384515222.db2.gz XBHADQIMHPZHPG-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN COc1ncncc1CNCC[C@@H](C)OC ZINC000647178440 384515751 /nfs/dbraw/zinc/51/57/51/384515751.db2.gz RZFDPXLYDPYCCL-SECBINFHSA-N 0 3 225.292 1.000 20 0 BCADHN C[C@@H](O)[C@@H]1CCCN(CCn2cncn2)C1 ZINC000533538759 384517962 /nfs/dbraw/zinc/51/79/62/384517962.db2.gz FEACZEQZLBZPKY-GHMZBOCLSA-N 0 3 224.308 0.371 20 0 BCADHN O=C1NCCC[C@@H]1N[C@H]1CCCSC1 ZINC000061589458 384519173 /nfs/dbraw/zinc/51/91/73/384519173.db2.gz KDKSBRFLYQZGGC-IUCAKERBSA-N 0 3 214.334 0.750 20 0 BCADHN COC[C@H](NCC1(S(C)(=O)=O)CC1)C(C)C ZINC000309566847 384521790 /nfs/dbraw/zinc/52/17/90/384521790.db2.gz MKQSSVAKHJHTRJ-JTQLQIEISA-N 0 3 249.376 0.824 20 0 BCADHN CN(C)S(=O)(=O)CCNCc1cccs1 ZINC000230993516 384526482 /nfs/dbraw/zinc/52/64/82/384526482.db2.gz ZXERNSAGOQNKQG-UHFFFAOYSA-N 0 3 248.373 0.729 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC[C@](C)(OC)C1 ZINC000300302308 384527045 /nfs/dbraw/zinc/52/70/45/384527045.db2.gz BNTFGSSZTGZXOI-RYUDHWBXSA-N 0 3 245.319 0.411 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(=O)n(C)c1 ZINC000037770324 384528971 /nfs/dbraw/zinc/52/89/71/384528971.db2.gz QTHSPKBIKUSBBZ-QMMMGPOBSA-N 0 3 209.249 0.061 20 0 BCADHN O=C(CN[C@H]1CCO[C@H]1C1CC1)N1CCC1 ZINC000372810959 384532903 /nfs/dbraw/zinc/53/29/03/384532903.db2.gz YYNNGYKAPGSBDQ-JQWIXIFHSA-N 0 3 224.304 0.376 20 0 BCADHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)N1CCC1 ZINC000372810958 384532988 /nfs/dbraw/zinc/53/29/88/384532988.db2.gz YYNNGYKAPGSBDQ-CMPLNLGQSA-N 0 3 224.304 0.376 20 0 BCADHN C[C@H](O)CCN(C)[C@@H](C)C[S@@](C)=O ZINC000308261461 384543463 /nfs/dbraw/zinc/54/34/63/384543463.db2.gz NMKMLCSPSZPSGI-MWODSPESSA-N 0 3 207.339 0.456 20 0 BCADHN Cn1ccc(CN[C@H]2CCC(=O)NC2)c1 ZINC000085604331 384544287 /nfs/dbraw/zinc/54/42/87/384544287.db2.gz RZZUPWAQYQBJJN-JTQLQIEISA-N 0 3 207.277 0.393 20 0 BCADHN CC(C)COC[C@H](O)CN1CCC[C@H](O)C1 ZINC000301317068 384544746 /nfs/dbraw/zinc/54/47/46/384544746.db2.gz YBQFSKWZISBBSN-NWDGAFQWSA-N 0 3 231.336 0.477 20 0 BCADHN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1ccccn1 ZINC000647335598 384545443 /nfs/dbraw/zinc/54/54/43/384545443.db2.gz TYDIHTHYYWQWMI-DTWKUNHWSA-N 0 3 243.332 0.486 20 0 BCADHN Cc1nc(N)nc(N(C)C[C@H]2CCCN2C)n1 ZINC000302657435 384546487 /nfs/dbraw/zinc/54/64/87/384546487.db2.gz XELAARCLLQXGGQ-SECBINFHSA-N 0 3 236.323 0.293 20 0 BCADHN CCOCCNC(=O)C[C@H]1CSCCN1 ZINC000085613350 384547695 /nfs/dbraw/zinc/54/76/95/384547695.db2.gz FIFDTCILUARDES-VIFPVBQESA-N 0 3 232.349 0.234 20 0 BCADHN CSCCCNC(=O)C[C@@H]1CNCCO1 ZINC000085620251 384548092 /nfs/dbraw/zinc/54/80/92/384548092.db2.gz VKWXROMQMJZVDE-SECBINFHSA-N 0 3 232.349 0.234 20 0 BCADHN CCCN(C)C(=O)C[C@H]1CSCCN1 ZINC000085612943 384548285 /nfs/dbraw/zinc/54/82/85/384548285.db2.gz DGEAAMKQUXYKNA-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN CSCCCNC(=O)C[C@H]1CSCCN1 ZINC000085614533 384548452 /nfs/dbraw/zinc/54/84/52/384548452.db2.gz HCRKPPAKMFRZNK-VIFPVBQESA-N 0 3 248.417 0.951 20 0 BCADHN CC(C)[C@](C)(CO)NCC(=O)NC(C)(C)C ZINC000309718506 384548820 /nfs/dbraw/zinc/54/88/20/384548820.db2.gz ZTLYZZPRVYMURS-LBPRGKRZSA-N 0 3 230.352 0.898 20 0 BCADHN Cc1ccc([C@H](C)NCC(=O)NC(N)=O)cc1 ZINC000049556807 384551646 /nfs/dbraw/zinc/55/16/46/384551646.db2.gz JVGNUGHRJUJFAU-VIFPVBQESA-N 0 3 235.287 0.841 20 0 BCADHN OCC1(CNC[C@H](O)C(F)(F)F)CCC1 ZINC000647523567 384555859 /nfs/dbraw/zinc/55/58/59/384555859.db2.gz VGBYSOBZXQRFFF-ZETCQYMHSA-N 0 3 227.226 0.662 20 0 BCADHN Cc1cnc(NC(=O)C2(N)CCOCC2)s1 ZINC000149636696 384555932 /nfs/dbraw/zinc/55/59/32/384555932.db2.gz YIRDLUDBNRWYPB-UHFFFAOYSA-N 0 3 241.316 0.898 20 0 BCADHN C[C@@H]1C[C@H]1CN[C@H](CO)c1cnn(C)c1 ZINC000309142931 384557351 /nfs/dbraw/zinc/55/73/51/384557351.db2.gz UEXFSPUBWKOVDP-WCABBAIRSA-N 0 3 209.293 0.699 20 0 BCADHN CCN(CC)C(=O)CN(C)CCCCCO ZINC000171142520 384557299 /nfs/dbraw/zinc/55/72/99/384557299.db2.gz OVOHFVUYCIWPKE-UHFFFAOYSA-N 0 3 230.352 0.949 20 0 BCADHN CC(C)COCCN[C@@H](CO)[C@@H]1CCCO1 ZINC000309715591 384557485 /nfs/dbraw/zinc/55/74/85/384557485.db2.gz YQEDPYNNNCBZSK-RYUDHWBXSA-N 0 3 231.336 0.789 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCN(CC(F)F)CC1 ZINC000236717588 384558477 /nfs/dbraw/zinc/55/84/77/384558477.db2.gz FSODQLSPBOXEBF-JTQLQIEISA-N 0 3 249.305 0.379 20 0 BCADHN Cn1cnc(C(=O)NCCN2CCCCC2)c1 ZINC000149827494 384559413 /nfs/dbraw/zinc/55/94/13/384559413.db2.gz JITJZABBGWEOOV-UHFFFAOYSA-N 0 3 236.319 0.636 20 0 BCADHN CC(C)[C@@H](N)c1cn(CCc2ccnn2C)nn1 ZINC000305950540 384560070 /nfs/dbraw/zinc/56/00/70/384560070.db2.gz UOGVXEHDKNGHSA-GFCCVEGCSA-N 0 3 248.334 0.910 20 0 BCADHN CC[C@@H](NC(=O)[C@H](C)NC)C1CCOCC1 ZINC000568235639 384538858 /nfs/dbraw/zinc/53/88/58/384538858.db2.gz VJKDUUZLGOLCGL-GXSJLCMTSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@@H](NCc1ccn(C)c1)C(=O)N(C)C ZINC000085590580 384539116 /nfs/dbraw/zinc/53/91/16/384539116.db2.gz JPCPRZDICSFMRH-SECBINFHSA-N 0 3 209.293 0.591 20 0 BCADHN CN(CCc1cccnc1)CCN1CCOCC1 ZINC000172165846 384540773 /nfs/dbraw/zinc/54/07/73/384540773.db2.gz MEVUISKAPYLXGO-UHFFFAOYSA-N 0 3 249.358 0.888 20 0 BCADHN Cc1nc(N)nc(N[C@H]2CCN(C3CC3)C2)n1 ZINC000306076101 384568323 /nfs/dbraw/zinc/56/83/23/384568323.db2.gz GFIZAOBHQIYEHG-QMMMGPOBSA-N 0 3 234.307 0.411 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCCO[C@H]1CCOC1 ZINC000236744794 384569515 /nfs/dbraw/zinc/56/95/15/384569515.db2.gz WKBXSFZCFNUDRK-QWRGUYRKSA-N 0 3 244.335 0.282 20 0 BCADHN CCC[C@H](C(=O)NCc1ncc[nH]1)N(C)C ZINC000162102890 384571486 /nfs/dbraw/zinc/57/14/86/384571486.db2.gz QRLBSRYKGLOPQE-SECBINFHSA-N 0 3 224.308 0.756 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@@](C)(C(=O)OC)C1 ZINC000236809180 384574933 /nfs/dbraw/zinc/57/49/33/384574933.db2.gz MTBDOKRRTIUQKZ-JOYOIKCWSA-N 0 3 242.319 0.525 20 0 BCADHN C[C@H](O)C[C@H](C)NC[C@H](C)S(C)(=O)=O ZINC000647525550 384578026 /nfs/dbraw/zinc/57/80/26/384578026.db2.gz MHGMLZPTBFBYTM-CIUDSAMLSA-N 0 3 223.338 0.169 20 0 BCADHN C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)N(C)C1CC1 ZINC000154102776 384578256 /nfs/dbraw/zinc/57/82/56/384578256.db2.gz CGYVGOKSVSUAOT-VIFPVBQESA-N 0 3 249.314 0.587 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H](C)C[C@@H](C)O ZINC000304305482 384579200 /nfs/dbraw/zinc/57/92/00/384579200.db2.gz PJFBBCYOJKZDTD-WDEREUQCSA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@H]1C[C@@H](C(=O)NCCN(C)C)CCO1 ZINC000162146650 384579437 /nfs/dbraw/zinc/57/94/37/384579437.db2.gz LWGJCNIBZLAKIU-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN COC[C@@H](CO)NC[C@H](O)CCC(C)C ZINC000647526748 384590732 /nfs/dbraw/zinc/59/07/32/384590732.db2.gz BTXBEQDUTZSIII-GHMZBOCLSA-N 0 3 219.325 0.380 20 0 BCADHN COC[C@@H](CO)NC[C@H](O)Cc1ccccc1 ZINC000647526825 384589016 /nfs/dbraw/zinc/58/90/16/384589016.db2.gz LVXVKXMWWVNFJS-CHWSQXEVSA-N 0 3 239.315 0.187 20 0 BCADHN Cc1cnn(C)c1CNC[C@@H]1COCCO1 ZINC000309720628 384564085 /nfs/dbraw/zinc/56/40/85/384564085.db2.gz VXPZHRNITDSKQX-SNVBAGLBSA-N 0 3 225.292 0.234 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCOC2(CCC2)C1 ZINC000236729988 384564317 /nfs/dbraw/zinc/56/43/17/384564317.db2.gz NXYQNHGJTBMORA-JTQLQIEISA-N 0 3 226.320 0.751 20 0 BCADHN OCCN(CCO)CCOc1ccc(F)cc1 ZINC000049753532 384564333 /nfs/dbraw/zinc/56/43/33/384564333.db2.gz ZOHNCWDDBLTWMI-UHFFFAOYSA-N 0 3 243.278 0.491 20 0 BCADHN CO[C@H]1CCCN(C[C@@H](O)COC(C)C)C1 ZINC000171206120 384565068 /nfs/dbraw/zinc/56/50/68/384565068.db2.gz QOHCSVNXBQDCNP-NEPJUHHUSA-N 0 3 231.336 0.883 20 0 BCADHN C[C@H](O)CN[C@@H](CO)c1ccsc1 ZINC000308280292 384565121 /nfs/dbraw/zinc/56/51/21/384565121.db2.gz WUMLQAHPPKJTBW-CBAPKCEASA-N 0 3 201.291 0.752 20 0 BCADHN C[C@@H](O)CN[C@H](CO)c1ccsc1 ZINC000308280294 384565630 /nfs/dbraw/zinc/56/56/30/384565630.db2.gz WUMLQAHPPKJTBW-VXNVDRBHSA-N 0 3 201.291 0.752 20 0 BCADHN CC[C@H](N)C(=O)Nc1cnn(CC2CC2)c1 ZINC000178163642 384604643 /nfs/dbraw/zinc/60/46/43/384604643.db2.gz MXPULTJFUUVDMC-JTQLQIEISA-N 0 3 222.292 0.969 20 0 BCADHN C[C@H](NCc1ncnn1C)[C@@H]1CCCOC1 ZINC000309790946 384612256 /nfs/dbraw/zinc/61/22/56/384612256.db2.gz PEXRQDYDKGGZQN-VHSXEESVSA-N 0 3 224.308 0.720 20 0 BCADHN Cc1c[nH]nc1CNC[C@@H]1CC[C@@H](O)C1 ZINC000289532890 384612896 /nfs/dbraw/zinc/61/28/96/384612896.db2.gz OSCLSFYGAZNHJM-NXEZZACHSA-N 0 3 209.293 0.969 20 0 BCADHN C[C@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1C ZINC000427468517 384616687 /nfs/dbraw/zinc/61/66/87/384616687.db2.gz DNPFVNQMDZMYMD-UWVGGRQHSA-N 0 3 241.335 0.241 20 0 BCADHN CO[C@H](C)CN(C)C[C@H]1CN(C)C(=O)O1 ZINC000496237082 533079566 /nfs/dbraw/zinc/07/95/66/533079566.db2.gz YOBWXIOCXLILRB-BDAKNGLRSA-N 0 3 216.281 0.404 20 0 BCADHN CCc1ccc(S(=O)(=O)NCCNC)cc1 ZINC000054244552 384617202 /nfs/dbraw/zinc/61/72/02/384617202.db2.gz UCEVDGKMNBEZQV-UHFFFAOYSA-N 0 3 242.344 0.747 20 0 BCADHN OC[C@H](O)CNCc1cccc2ccoc21 ZINC000449267578 384618409 /nfs/dbraw/zinc/61/84/09/384618409.db2.gz ABPWUSZXAPHPNU-LLVKDONJSA-N 0 3 221.256 0.876 20 0 BCADHN CN1C[C@@H]2CCCN(c3ccnc(C#N)n3)[C@@H]2C1 ZINC000568248599 384622737 /nfs/dbraw/zinc/62/27/37/384622737.db2.gz VMAYNYFLWYGSIM-WDEREUQCSA-N 0 3 243.314 0.879 20 0 BCADHN CC(C)(O)CCN1CCN(C2CC2)CC1 ZINC000086234082 384623922 /nfs/dbraw/zinc/62/39/22/384623922.db2.gz FSQVCIMGHPNTSD-UHFFFAOYSA-N 0 3 212.337 0.927 20 0 BCADHN CCCN[C@@H](C)C(=O)NC(CC)(CC)C(N)=O ZINC000449271606 384625743 /nfs/dbraw/zinc/62/57/43/384625743.db2.gz PZZZSFFMULXKHF-VIFPVBQESA-N 0 3 243.351 0.535 20 0 BCADHN CN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000363586896 384628485 /nfs/dbraw/zinc/62/84/85/384628485.db2.gz AFKCIPBNDPDLQN-UTUOFQBUSA-N 0 3 238.331 0.764 20 0 BCADHN CN(Cc1ccccn1)C(=O)C(C)(C)N ZINC000040920790 384631780 /nfs/dbraw/zinc/63/17/80/384631780.db2.gz XPZZNCNFZKEMCD-UHFFFAOYSA-N 0 3 207.277 0.777 20 0 BCADHN O=C(NCc1c[nH]cn1)[C@H]1CNCCC1(F)F ZINC000648154597 384593611 /nfs/dbraw/zinc/59/36/11/384593611.db2.gz OGHRPGSRKDWREB-MRVPVSSYSA-N 0 3 244.245 0.271 20 0 BCADHN COCCNCC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403173549 384596406 /nfs/dbraw/zinc/59/64/06/384596406.db2.gz LTGPVQNEXZOWEO-GMTAPVOTSA-N 0 3 226.320 0.527 20 0 BCADHN C[C@@H](O)CN[C@@H](CO)CC(F)(F)F ZINC000647528957 384600789 /nfs/dbraw/zinc/60/07/89/384600789.db2.gz QDPPTSZPKAAUJC-PHDIDXHHSA-N 0 3 201.188 0.270 20 0 BCADHN CC[C@@H](NC[C@@H](C)O)[C@H](O)C(F)(F)F ZINC000647529423 384602374 /nfs/dbraw/zinc/60/23/74/384602374.db2.gz BFRVXBDPGPUQAL-QYNIQEEDSA-N 0 3 215.215 0.659 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)NCCC(=O)OC ZINC000104236609 384663058 /nfs/dbraw/zinc/66/30/58/384663058.db2.gz ZMXAYONJQUIKLS-SNVBAGLBSA-N 0 3 242.319 0.540 20 0 BCADHN CC[C@H]1CN(C[C@H]2CN(C)C(=O)O2)CCCO1 ZINC000497174485 384667964 /nfs/dbraw/zinc/66/79/64/384667964.db2.gz BDIOHZZBQCNMNN-WDEREUQCSA-N 0 3 242.319 0.938 20 0 BCADHN Cc1nnccc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000533576660 384671822 /nfs/dbraw/zinc/67/18/22/384671822.db2.gz SFHGIQKHQOMKLU-GXSJLCMTSA-N 0 3 248.330 0.998 20 0 BCADHN CN(Cc1cnn(C)c1)C[C@@H]1CCOC1 ZINC000047698905 384673474 /nfs/dbraw/zinc/67/34/74/384673474.db2.gz DSCQULCIDSYJTI-JTQLQIEISA-N 0 3 209.293 0.888 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1nccs1 ZINC000041013399 384636684 /nfs/dbraw/zinc/63/66/84/384636684.db2.gz LDILQQINMMRWID-MRVPVSSYSA-N 0 3 213.306 0.743 20 0 BCADHN CN(C)C1(CNC(=O)Cn2ccnc2)CCC1 ZINC000564647408 384636755 /nfs/dbraw/zinc/63/67/55/384636755.db2.gz CGMSWBUPCDYGHU-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN COC(=O)c1ccc(CNCCCO)[nH]1 ZINC000086329597 384637698 /nfs/dbraw/zinc/63/76/98/384637698.db2.gz AWUYLCUCNATIRR-UHFFFAOYSA-N 0 3 212.249 0.273 20 0 BCADHN C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1nnc[n-]1 ZINC000561309872 384643574 /nfs/dbraw/zinc/64/35/74/384643574.db2.gz YVQNESDWEMUMLM-BDAKNGLRSA-N 0 3 237.307 0.324 20 0 BCADHN C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)c1nnc[n-]1 ZINC000561309872 384643578 /nfs/dbraw/zinc/64/35/78/384643578.db2.gz YVQNESDWEMUMLM-BDAKNGLRSA-N 0 3 237.307 0.324 20 0 BCADHN C[C@H](NC(=O)CN1CC[C@@H](C)C1)c1nc[nH]n1 ZINC000561309872 384643581 /nfs/dbraw/zinc/64/35/81/384643581.db2.gz YVQNESDWEMUMLM-BDAKNGLRSA-N 0 3 237.307 0.324 20 0 BCADHN CCS(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000151617320 384643695 /nfs/dbraw/zinc/64/36/95/384643695.db2.gz GKDFJOCYBGWSCC-NSHDSACASA-N 0 3 246.376 0.754 20 0 BCADHN CC[C@@H](CCO)N[C@H](C)CS(C)(=O)=O ZINC000162281028 384649745 /nfs/dbraw/zinc/64/97/45/384649745.db2.gz IRXSRZVENUFRMV-BDAKNGLRSA-N 0 3 223.338 0.170 20 0 BCADHN CO[C@H](C)CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000487914711 533083849 /nfs/dbraw/zinc/08/38/49/533083849.db2.gz KYVSEYFRCHKIQN-VXGBXAGGSA-N 0 3 244.379 0.798 20 0 BCADHN O=C(CCN1CCC[C@@H](O)C1)Nc1cccnc1 ZINC000358096864 384653519 /nfs/dbraw/zinc/65/35/19/384653519.db2.gz MKUKEBUPRIRWGG-GFCCVEGCSA-N 0 3 249.314 0.867 20 0 BCADHN Cn1cnc(CCCNCc2cncs2)n1 ZINC000647231156 384656465 /nfs/dbraw/zinc/65/64/65/384656465.db2.gz JOUNJMDXOKOOCZ-UHFFFAOYSA-N 0 3 237.332 0.994 20 0 BCADHN CNS(=O)(=O)CCCN1CCC(C)CC1 ZINC000104095227 384661129 /nfs/dbraw/zinc/66/11/29/384661129.db2.gz MXWMWJOEXKRPOS-UHFFFAOYSA-N 0 3 234.365 0.658 20 0 BCADHN CCc1ccc(CN[C@@H](C)CC(N)=O)cn1 ZINC000309929382 384728083 /nfs/dbraw/zinc/72/80/83/384728083.db2.gz XBVJGHYVFCKXPW-VIFPVBQESA-N 0 3 221.304 0.998 20 0 BCADHN Cn1nncc1CNCCC(C)(F)F ZINC000357713674 384682750 /nfs/dbraw/zinc/68/27/50/384682750.db2.gz SQPWLDRUHZIHNJ-UHFFFAOYSA-N 0 3 204.224 0.950 20 0 BCADHN c1n[nH]nc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000564920012 384726413 /nfs/dbraw/zinc/72/64/13/384726413.db2.gz QHNUPAOXLWKJBT-SCZZXKLOSA-N 0 3 208.265 0.416 20 0 BCADHN CC[C@H]1CN(C)CCN1CCc1ccnn1C ZINC000566139290 384686554 /nfs/dbraw/zinc/68/65/54/384686554.db2.gz TWBAKCRKPNOEAH-LBPRGKRZSA-N 0 3 236.363 0.989 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000300358752 384687129 /nfs/dbraw/zinc/68/71/29/384687129.db2.gz LBCLCOYPCZNWTR-IEBDPFPHSA-N 0 3 247.360 0.577 20 0 BCADHN Cc1nn(C)cc1CNC[C@H](CO)C1CC1 ZINC000309881875 384687198 /nfs/dbraw/zinc/68/71/98/384687198.db2.gz VUBYRFISRGXUNU-GFCCVEGCSA-N 0 3 223.320 0.837 20 0 BCADHN CNCC(=O)N(C)c1ccc(OC)cc1 ZINC000049972451 384690600 /nfs/dbraw/zinc/69/06/00/384690600.db2.gz XKKFYJDSNGPEEP-UHFFFAOYSA-N 0 3 208.261 0.877 20 0 BCADHN C[C@H](O)CN(C)Cc1cccc(C(N)=O)c1 ZINC000051821674 384693553 /nfs/dbraw/zinc/69/35/53/384693553.db2.gz HGOHJDGHEWLRHJ-VIFPVBQESA-N 0 3 222.288 0.598 20 0 BCADHN CN(CC(=O)N(C)C)C[C@@H]1CCOC1 ZINC000047707006 384695009 /nfs/dbraw/zinc/69/50/09/384695009.db2.gz RPUYWIFASGJRPU-VIFPVBQESA-N 0 3 200.282 0.043 20 0 BCADHN C[C@@H](CN(C)C)Nc1ncnc2n[nH]cc21 ZINC000309892541 384695358 /nfs/dbraw/zinc/69/53/58/384695358.db2.gz DFJJZFZVKYVYTC-ZETCQYMHSA-N 0 3 220.280 0.715 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000050457197 384696070 /nfs/dbraw/zinc/69/60/70/384696070.db2.gz DIJVHMYILIJACQ-WDEREUQCSA-N 0 3 222.263 0.832 20 0 BCADHN COc1ccc(CCNC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000050457415 384696541 /nfs/dbraw/zinc/69/65/41/384696541.db2.gz ARXBNKRFKDKRFF-NEPJUHHUSA-N 0 3 234.299 0.701 20 0 BCADHN CO[C@H](C)CN1CCNC(=O)C[C@H]1C ZINC000363687527 384696645 /nfs/dbraw/zinc/69/66/45/384696645.db2.gz JYBZUOCVFNHWSV-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN CCN(CCO)C(=O)NCCN(CC)C1CC1 ZINC000102069217 384698847 /nfs/dbraw/zinc/69/88/47/384698847.db2.gz JJZAWCWHYSJGBD-UHFFFAOYSA-N 0 3 243.351 0.495 20 0 BCADHN CC[C@@H](C)N(C)CC(=O)N1CCNC1=O ZINC000104687716 384702297 /nfs/dbraw/zinc/70/22/97/384702297.db2.gz LIIBZKOXGKXQGK-MRVPVSSYSA-N 0 3 213.281 0.269 20 0 BCADHN c1[nH]nc2cc(CNC[C@H]3CNCCO3)ccc12 ZINC000556963805 384707430 /nfs/dbraw/zinc/70/74/30/384707430.db2.gz JIQCOVLVHWLBCU-GFCCVEGCSA-N 0 3 246.314 0.641 20 0 BCADHN CN(C)CCNC(=O)C(=O)Nc1ccsc1 ZINC000125332897 384711823 /nfs/dbraw/zinc/71/18/23/384711823.db2.gz DXJXVBXWIYQQCZ-UHFFFAOYSA-N 0 3 241.316 0.364 20 0 BCADHN Cc1cnc([C@H](C)NC(=O)[C@H](C)N)s1 ZINC000125315184 384712171 /nfs/dbraw/zinc/71/21/71/384712171.db2.gz DZLUBYOLGHKODS-BQBZGAKWSA-N 0 3 213.306 0.976 20 0 BCADHN CCc1[nH]n(C)c2nnc(NC(=O)CNC)c1-2 ZINC000648155367 384713658 /nfs/dbraw/zinc/71/36/58/384713658.db2.gz PPCITZXFPIHKOD-UHFFFAOYSA-N 0 3 236.279 0.017 20 0 BCADHN CC[C@](C)(O)CNCc1cn(C)nc1C ZINC000126032487 384727671 /nfs/dbraw/zinc/72/76/71/384727671.db2.gz NHJNYAGIURNKOZ-NSHDSACASA-N 0 3 211.309 0.979 20 0 BCADHN COc1ncncc1CN[C@@H](C)CCCO ZINC000647191236 384717970 /nfs/dbraw/zinc/71/79/70/384717970.db2.gz IFAWVBPNJSVLBD-VIFPVBQESA-N 0 3 225.292 0.736 20 0 BCADHN CC(C(=O)N1CCO[C@@H](C)[C@@H]1C)S(C)(=O)=O ZINC000167396598 384722871 /nfs/dbraw/zinc/72/28/71/384722871.db2.gz QHVBBCJEZWQNSZ-XHNCKOQMSA-N 0 3 249.332 0.055 20 0 BCADHN Cc1ncncc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000105327764 384775129 /nfs/dbraw/zinc/77/51/29/384775129.db2.gz QSQLKRDLTNENMH-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN CC(C)(N)C(=O)NCc1nc2cccnc2[nH]1 ZINC000083908988 384775387 /nfs/dbraw/zinc/77/53/87/384775387.db2.gz GZJNKXNOZZGOPN-UHFFFAOYSA-N 0 3 233.275 0.311 20 0 BCADHN CC(C)([NH3+])C(=O)NCc1nc2cccnc2[n-]1 ZINC000083908988 384775390 /nfs/dbraw/zinc/77/53/90/384775390.db2.gz GZJNKXNOZZGOPN-UHFFFAOYSA-N 0 3 233.275 0.311 20 0 BCADHN C[C@@H](N)C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000518181097 384776464 /nfs/dbraw/zinc/77/64/64/384776464.db2.gz VCWDUAXXOCYRDS-SFYZADRCSA-N 0 3 229.324 0.095 20 0 BCADHN CC[C@@H](CCO)CNCc1nccn1C ZINC000087362563 384776678 /nfs/dbraw/zinc/77/66/78/384776678.db2.gz WIQCYRFFLJBUCS-JTQLQIEISA-N 0 3 211.309 0.918 20 0 BCADHN C[C@@H](N)C(=O)N(C)[C@H](C)C(=O)NC(C)(C)C ZINC000518181095 384776562 /nfs/dbraw/zinc/77/65/62/384776562.db2.gz VCWDUAXXOCYRDS-HTQZYQBOSA-N 0 3 229.324 0.095 20 0 BCADHN C[C@@H](C1CC1)N(C)C(=O)[C@@]1(F)CCNC1 ZINC000310003255 384778469 /nfs/dbraw/zinc/77/84/69/384778469.db2.gz FOVIUKKLDLXEJQ-GZMMTYOYSA-N 0 3 214.284 0.945 20 0 BCADHN CC[C@@H](COC)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000310003554 384778571 /nfs/dbraw/zinc/77/85/71/384778571.db2.gz FQSZEZRXRBFFAC-IUCAKERBSA-N 0 3 225.292 0.846 20 0 BCADHN CCSCCN[C@@H]1CCCCNC1=O ZINC000308473741 384738993 /nfs/dbraw/zinc/73/89/93/384738993.db2.gz AKZGVBQHMUBEJX-SECBINFHSA-N 0 3 216.350 0.998 20 0 BCADHN CO[C@@H](C)CNCc1cnc2cnccn12 ZINC000309957599 384740661 /nfs/dbraw/zinc/74/06/61/384740661.db2.gz JHBQZCMODLBFNJ-VIFPVBQESA-N 0 3 220.276 0.854 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccnn2C)[C@@H](C)CN1 ZINC000083118274 384741264 /nfs/dbraw/zinc/74/12/64/384741264.db2.gz QOABPRICDQNGLV-BDAKNGLRSA-N 0 3 222.292 0.243 20 0 BCADHN CCN(C[C@H](O)COC)[C@@H]1CCOC1 ZINC000308477575 384741541 /nfs/dbraw/zinc/74/15/41/384741541.db2.gz JZZXLJZRHKYXKW-ZJUUUORDSA-N 0 3 203.282 0.105 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)N(C)C)C1(C)C ZINC000300390064 384744705 /nfs/dbraw/zinc/74/47/05/384744705.db2.gz QZCUAKGITJHXHH-OPRDCNLKSA-N 0 3 228.336 0.866 20 0 BCADHN Cc1n[nH]cc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000083118400 384744775 /nfs/dbraw/zinc/74/47/75/384744775.db2.gz NARBMPOYSCKFRR-HTQZYQBOSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1ccoc1CNC[C@]1(O)CCOC1 ZINC000126199095 384746146 /nfs/dbraw/zinc/74/61/46/384746146.db2.gz UUQHNWMQAOZPNI-LLVKDONJSA-N 0 3 211.261 0.829 20 0 BCADHN CCC1CC(NCC(=O)N2CCOCC2)C1 ZINC000310009168 384779687 /nfs/dbraw/zinc/77/96/87/384779687.db2.gz HXKXSVYAAOPTRG-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CC(C)[C@H](O)C(C)(C)CNC(=O)[C@@H](C)N ZINC000157988234 384756192 /nfs/dbraw/zinc/75/61/92/384756192.db2.gz RXOHEWLAZYUGAB-BDAKNGLRSA-N 0 3 216.325 0.493 20 0 BCADHN CC[C@@H](NC(=O)C1(N)CCCC1)C(=O)OC ZINC000236878864 384756586 /nfs/dbraw/zinc/75/65/86/384756586.db2.gz GUMAKRFFYINDFM-MRVPVSSYSA-N 0 3 228.292 0.326 20 0 BCADHN C[C@@H](N[C@@H]1COC(C)(C)C1)C(=O)N(C)C ZINC000334955804 384758918 /nfs/dbraw/zinc/75/89/18/384758918.db2.gz LZHHFVQWEAJQIB-BDAKNGLRSA-N 0 3 214.309 0.620 20 0 BCADHN CCOc1cccc(CNC[C@@H](O)CO)c1 ZINC000083353964 384760951 /nfs/dbraw/zinc/76/09/51/384760951.db2.gz HYEUHVSVSKSBMB-LLVKDONJSA-N 0 3 225.288 0.528 20 0 BCADHN CCc1ccc(CNC[C@H](O)CO)cc1 ZINC000083345855 384761517 /nfs/dbraw/zinc/76/15/17/384761517.db2.gz KGIGQTYVRGCGFF-LBPRGKRZSA-N 0 3 209.289 0.692 20 0 BCADHN CCOc1ccc(CNC[C@@H](O)CO)cc1 ZINC000083353963 384761941 /nfs/dbraw/zinc/76/19/41/384761941.db2.gz GBLKSHUUEDNLGI-LLVKDONJSA-N 0 3 225.288 0.528 20 0 BCADHN Cc1n[nH]cc1CNC[C@@]1(O)CCSC1 ZINC000176753955 384762711 /nfs/dbraw/zinc/76/27/11/384762711.db2.gz KHBDQHULVQVJDF-JTQLQIEISA-N 0 3 227.333 0.676 20 0 BCADHN Cc1ocnc1C(=O)NC1CCN(C)CC1 ZINC000103339491 384763430 /nfs/dbraw/zinc/76/34/30/384763430.db2.gz KMKBCDCTGSOKTJ-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN CN1CCC(O)(CNC(=O)CC2CC2)CC1 ZINC000331804480 384765932 /nfs/dbraw/zinc/76/59/32/384765932.db2.gz KXSXEDHDNLGTLA-UHFFFAOYSA-N 0 3 226.320 0.359 20 0 BCADHN CC(C)(N)C(=O)NCCc1nc2ccccc2[nH]1 ZINC000083375340 384767905 /nfs/dbraw/zinc/76/79/05/384767905.db2.gz VATHIZIZEGEWIY-UHFFFAOYSA-N 0 3 246.314 0.959 20 0 BCADHN COC[C@@H](N[C@@H]1CCCS(=O)(=O)C1)C(C)C ZINC000083398752 384770138 /nfs/dbraw/zinc/77/01/38/384770138.db2.gz FFNUFBSCZBTICC-GHMZBOCLSA-N 0 3 249.376 0.824 20 0 BCADHN C[C@H](N)C(=O)N1CCC(C2CCOCC2)CC1 ZINC000157973377 384771453 /nfs/dbraw/zinc/77/14/53/384771453.db2.gz UZGXWLKLNTTYLZ-JTQLQIEISA-N 0 3 240.347 0.999 20 0 BCADHN CCN(C[C@@H]1CCCO1)C(=O)CNC ZINC000042470693 384816172 /nfs/dbraw/zinc/81/61/72/384816172.db2.gz QKDDXSMIVJKSIH-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN O=C(NC[C@@H]1CCCS1)[C@]1(F)CCNC1 ZINC000361739409 384816594 /nfs/dbraw/zinc/81/65/94/384816594.db2.gz RFBVDZQWPPMJEH-WPRPVWTQSA-N 0 3 232.324 0.700 20 0 BCADHN CCN(C)CCNCc1cccc(C(N)=O)c1 ZINC000054112350 384820553 /nfs/dbraw/zinc/82/05/53/384820553.db2.gz OONGQGCPOHSGJF-UHFFFAOYSA-N 0 3 235.331 0.827 20 0 BCADHN CC(C(=O)N1C[C@@H](C)OC[C@@H]1C)S(C)(=O)=O ZINC000408170991 134432299 /nfs/dbraw/zinc/43/22/99/134432299.db2.gz ZGCILQGOBRGMOT-YIZRAAEISA-N 0 3 249.332 0.055 20 0 BCADHN C[C@@H](N)C(=O)NCCc1ccc(F)c(F)c1 ZINC000083941739 384821883 /nfs/dbraw/zinc/82/18/83/384821883.db2.gz KUHJZHYFRIDSIV-SSDOTTSWSA-N 0 3 228.242 0.971 20 0 BCADHN Cc1ccc(N2CC[C@@H](NC(=O)CN)C2)cc1 ZINC000083943777 384822192 /nfs/dbraw/zinc/82/21/92/384822192.db2.gz QXGARQHOKHOQJW-LLVKDONJSA-N 0 3 233.315 0.649 20 0 BCADHN CCN(C)CCNC(=O)[C@](C)(N)c1ccccc1 ZINC000054133254 384822427 /nfs/dbraw/zinc/82/24/27/384822427.db2.gz XWWAGQDIZFJTRI-CQSZACIVSA-N 0 3 249.358 0.928 20 0 BCADHN CN(C)CCNC(=O)c1cnn2c1CCCC2 ZINC000126720231 384822890 /nfs/dbraw/zinc/82/28/90/384822890.db2.gz IGSISGCEFYJLEX-UHFFFAOYSA-N 0 3 236.319 0.511 20 0 BCADHN C[C@H](CO)[C@H](C)NCc1ccc(CO)o1 ZINC000126938381 384825983 /nfs/dbraw/zinc/82/59/83/384825983.db2.gz MIOOFBCKSYXCGO-BDAKNGLRSA-N 0 3 213.277 0.878 20 0 BCADHN CC[C@H](CN[C@H]1CCCS(=O)(=O)C1)OC ZINC000336670442 384826406 /nfs/dbraw/zinc/82/64/06/384826406.db2.gz FRXIEHQOWMKINJ-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CC(C)(CC(N)=O)NCC(=O)Nc1ccccc1 ZINC000186215388 384828520 /nfs/dbraw/zinc/82/85/20/384828520.db2.gz PHFWWPKMSUWTFH-UHFFFAOYSA-N 0 3 249.314 0.869 20 0 BCADHN COC[C@H](C)N[C@@H]1CCCN(C)C1=O ZINC000308585581 384829058 /nfs/dbraw/zinc/82/90/58/384829058.db2.gz IEDGXTLTWNOLKN-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@](O)(CN[C@H]1CCOC1)C(F)(F)F ZINC000308585064 384829869 /nfs/dbraw/zinc/82/98/69/384829869.db2.gz RJWAJOZUKWISAS-BQBZGAKWSA-N 0 3 213.199 0.678 20 0 BCADHN CCOCCN1CCC(OCCO)CC1 ZINC000126895831 384830006 /nfs/dbraw/zinc/83/00/06/384830006.db2.gz PQPVQZIMOMIAKT-UHFFFAOYSA-N 0 3 217.309 0.496 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C[C@H](O)CN(C)C1CC1 ZINC000310088780 384830196 /nfs/dbraw/zinc/83/01/96/384830196.db2.gz IFYOXNPFRYIQDA-NTZNESFSSA-N 0 3 242.363 0.551 20 0 BCADHN CCC[C@H](N)C(=O)Nc1ccnn1CC ZINC000309781186 384830820 /nfs/dbraw/zinc/83/08/20/384830820.db2.gz MXVPHWHZTXJFHK-QMMMGPOBSA-N 0 3 210.281 0.969 20 0 BCADHN C[C@H]1CC2(CN1C(=O)CN)CCOCC2 ZINC000648204191 384833541 /nfs/dbraw/zinc/83/35/41/384833541.db2.gz VUZYIXDHAIYETP-VIFPVBQESA-N 0 3 212.293 0.363 20 0 BCADHN C[C@H](N[C@H]1CCC(=O)N(C)C1)c1cnn(C)c1 ZINC000084063707 384835102 /nfs/dbraw/zinc/83/51/02/384835102.db2.gz FSXHCMJBXVHVRV-ONGXEEELSA-N 0 3 236.319 0.692 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H](N)CC(F)F ZINC000518188260 384782319 /nfs/dbraw/zinc/78/23/19/384782319.db2.gz LQOQSUQYCHQVDQ-RNJXMRFFSA-N 0 3 235.278 0.178 20 0 BCADHN CN1CCC[C@@H](N2CCC[C@H](CO)CC2)C1=O ZINC000557056169 384783410 /nfs/dbraw/zinc/78/34/10/384783410.db2.gz VAPWURNUTAAULA-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN N[C@@H](C(=O)N1CCN(C2CC2)CC1)C1CCC1 ZINC000335061031 384787569 /nfs/dbraw/zinc/78/75/69/384787569.db2.gz LFIFUMYHFZRNKW-GFCCVEGCSA-N 0 3 237.347 0.420 20 0 BCADHN CN1CCN(C(=O)C2CCCCC2)[C@@H](CN)C1 ZINC000122615545 384790097 /nfs/dbraw/zinc/79/00/97/384790097.db2.gz LLZXUJRPXYVURT-LBPRGKRZSA-N 0 3 239.363 0.668 20 0 BCADHN CCc1ccc(CNC(CO)CO)cc1 ZINC000083692406 384793655 /nfs/dbraw/zinc/79/36/55/384793655.db2.gz WYEXUADPIZQQOU-UHFFFAOYSA-N 0 3 209.289 0.692 20 0 BCADHN COC[C@@H](N[C@H]1CCCNC1=O)C(C)C ZINC000087480048 384797314 /nfs/dbraw/zinc/79/73/14/384797314.db2.gz APKRDZHYBGVWNE-VHSXEESVSA-N 0 3 214.309 0.526 20 0 BCADHN CCSCCN[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000308552995 384799945 /nfs/dbraw/zinc/79/99/45/384799945.db2.gz YIQACGSHTLREFE-RKDXNWHRSA-N 0 3 237.390 0.905 20 0 BCADHN Cc1c(CN[C@@H]2C[C@H](O)C2(C)C)cnn1C ZINC000163436807 384806267 /nfs/dbraw/zinc/80/62/67/384806267.db2.gz CDGAJMPDAQGVLQ-MNOVXSKESA-N 0 3 223.320 0.978 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000083884946 384806964 /nfs/dbraw/zinc/80/69/64/384806964.db2.gz NWMXIJJAUROAJV-SSDOTTSWSA-N 0 3 233.271 0.857 20 0 BCADHN CN1C[C@H]2CCN(C(=O)N3CCOCC3)[C@@H]2C1 ZINC000644299374 384810385 /nfs/dbraw/zinc/81/03/85/384810385.db2.gz KSASSOPFWMFGIA-GHMZBOCLSA-N 0 3 239.319 0.075 20 0 BCADHN C[C@@H](Cc1ccncc1)NC(=O)C(C)(C)N ZINC000083887995 384811799 /nfs/dbraw/zinc/81/17/99/384811799.db2.gz LLOAAAYZBZYNDH-VIFPVBQESA-N 0 3 221.304 0.866 20 0 BCADHN C[C@@H](CN[C@H]1CO[C@H](C)C1)S(C)(=O)=O ZINC000647197009 384812343 /nfs/dbraw/zinc/81/23/43/384812343.db2.gz XRIIMAPLISGVCT-HRDYMLBCSA-N 0 3 221.322 0.187 20 0 BCADHN COc1ccc(C2(NC(=O)CN)CC2)cc1 ZINC000083889267 384812360 /nfs/dbraw/zinc/81/23/60/384812360.db2.gz KBDBVXVKVVDIQF-UHFFFAOYSA-N 0 3 220.272 0.759 20 0 BCADHN CNCC(=O)NCc1nc2cc(C)ccc2n1C ZINC000083887839 384812986 /nfs/dbraw/zinc/81/29/86/384812986.db2.gz QCNKSJDVTUGLIB-UHFFFAOYSA-N 0 3 246.314 0.717 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000648195612 384814714 /nfs/dbraw/zinc/81/47/14/384814714.db2.gz JCNLQCMBWGCURU-UTUOFQBUSA-N 0 3 240.347 0.997 20 0 BCADHN CCO[C@H]1C[C@@H](N(C)C(=O)CNC)C1(C)C ZINC000236950151 384871502 /nfs/dbraw/zinc/87/15/02/384871502.db2.gz TWXHHQFDSRVNDY-ZJUUUORDSA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@@](C)(NCCCC(=O)OC)C(N)=O ZINC000177126931 384872188 /nfs/dbraw/zinc/87/21/88/384872188.db2.gz ZPNGXEYQZOKPRF-SNVBAGLBSA-N 0 3 216.281 0.183 20 0 BCADHN CCn1ncnc1CNC(=O)[C@@H]1CCCCN1 ZINC000648160557 384872229 /nfs/dbraw/zinc/87/22/29/384872229.db2.gz XVMIWEHXQINTPU-VIFPVBQESA-N 0 3 237.307 0.056 20 0 BCADHN Cc1cnc(CN[C@@H](C)[C@H](C)CO)cn1 ZINC000336757240 384873634 /nfs/dbraw/zinc/87/36/34/384873634.db2.gz JXWIIEVCPKECGC-SCZZXKLOSA-N 0 3 209.293 0.892 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000449289378 384878380 /nfs/dbraw/zinc/87/83/80/384878380.db2.gz AEAMVIKNITZXBR-GUBZILKMSA-N 0 3 226.320 0.763 20 0 BCADHN CC[C@](C)(NCCOCC(F)(F)F)C(N)=O ZINC000177138376 384879059 /nfs/dbraw/zinc/87/90/59/384879059.db2.gz LAWUPTRWRJSXBQ-QMMMGPOBSA-N 0 3 242.241 0.809 20 0 BCADHN COCC[C@H](CO)NCc1ccc(C)cn1 ZINC000300773706 384881164 /nfs/dbraw/zinc/88/11/64/384881164.db2.gz AEFHYDCOWQYBQP-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN CN(C)CC(C)(C)NCC(=O)N1CCCCC1 ZINC000308636173 384881595 /nfs/dbraw/zinc/88/15/95/384881595.db2.gz KOEZWAHMDDBKFO-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN COC[C@@](C)(CCO)NCc1ccn(C)c1 ZINC000127285366 384883638 /nfs/dbraw/zinc/88/36/38/384883638.db2.gz UNRSEJFJJYRNOS-GFCCVEGCSA-N 0 3 226.320 0.902 20 0 BCADHN CCCCNC(=O)[C@H](N)CCSC ZINC000038767188 384884946 /nfs/dbraw/zinc/88/49/46/384884946.db2.gz LLNWPHCLDQJNAN-MRVPVSSYSA-N 0 3 204.339 0.983 20 0 BCADHN C[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)[C@H]1CCCCO1 ZINC000364036194 384886628 /nfs/dbraw/zinc/88/66/28/384886628.db2.gz JCWVMKDTKFECCQ-LMLFDSFASA-N 0 3 244.310 0.760 20 0 BCADHN Cn1cncc1CN1CCN(CC2CC2)CC1 ZINC000177015485 384844670 /nfs/dbraw/zinc/84/46/70/384844670.db2.gz CEQBPCCMZCVYDI-UHFFFAOYSA-N 0 3 234.347 0.948 20 0 BCADHN COc1ncncc1CNCCCn1ccnn1 ZINC000647200940 384888484 /nfs/dbraw/zinc/88/84/84/384888484.db2.gz PQJCOSGEYBVUPO-UHFFFAOYSA-N 0 3 248.290 0.257 20 0 BCADHN CN(C)C[C@H]1CN(C(=O)CN)c2ccccc2O1 ZINC000370781513 384850668 /nfs/dbraw/zinc/85/06/68/384850668.db2.gz ZGDQKLIUTUNTNY-JTQLQIEISA-N 0 3 249.314 0.301 20 0 BCADHN CN(C(=O)c1cn(C)nn1)[C@@H]1CCN(C2CC2)C1 ZINC000518247803 384850856 /nfs/dbraw/zinc/85/08/56/384850856.db2.gz LQDWZHUXIADFTB-SNVBAGLBSA-N 0 3 249.318 0.124 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)[C@H]1CC1(C)C ZINC000151879372 384856497 /nfs/dbraw/zinc/85/64/97/384856497.db2.gz BAXMBTBPLGSRNO-BXKDBHETSA-N 0 3 228.336 0.461 20 0 BCADHN COCc1cc(C(=O)NCCN(C)C)no1 ZINC000174983407 384857641 /nfs/dbraw/zinc/85/76/41/384857641.db2.gz OCMLHZVVFGESHQ-UHFFFAOYSA-N 0 3 227.264 0.112 20 0 BCADHN Cc1cnn(CCN[C@H](C)C(=O)NC2CC2)c1 ZINC000105881328 384889040 /nfs/dbraw/zinc/88/90/40/384889040.db2.gz GMBZMPUNINUOGS-SNVBAGLBSA-N 0 3 236.319 0.448 20 0 BCADHN CNC(=O)CC1CCN([C@@H](C)COC)CC1 ZINC000175030316 384860526 /nfs/dbraw/zinc/86/05/26/384860526.db2.gz PNBSFXCQLHHHIU-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2cnsn2)C1 ZINC000105327925 384864138 /nfs/dbraw/zinc/86/41/38/384864138.db2.gz OWQXFQCDGGBKKN-QMMMGPOBSA-N 0 3 240.332 0.704 20 0 BCADHN COC[C@@H](O)CCNCc1scnc1C ZINC000127494746 384865317 /nfs/dbraw/zinc/86/53/17/384865317.db2.gz DMGUAMFKVNZQJO-VIFPVBQESA-N 0 3 230.333 0.939 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)N)C1CCOCC1 ZINC000225523156 384868143 /nfs/dbraw/zinc/86/81/43/384868143.db2.gz ZVJBLEGBHWUVLQ-JGVFFNPUSA-N 0 3 200.282 0.265 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H](C)C1CCOCC1 ZINC000225524530 384868295 /nfs/dbraw/zinc/86/82/95/384868295.db2.gz QXEYZDRRWVLNHH-KOLCDFICSA-N 0 3 228.336 0.901 20 0 BCADHN C[C@@H](CN[C@@H]1CCCN(C)C1)S(C)(=O)=O ZINC000644547764 384949300 /nfs/dbraw/zinc/94/93/00/384949300.db2.gz PFNDBQDOZZOCSS-VHSXEESVSA-N 0 3 234.365 0.103 20 0 BCADHN CN1CCC[C@H](NC[C@](C)(O)C(F)(F)F)C1 ZINC000644547697 384950611 /nfs/dbraw/zinc/95/06/11/384950611.db2.gz KUDPBPRPDXBTLB-IUCAKERBSA-N 0 3 240.269 0.984 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)C[C@H]1CCCOC1 ZINC000491879952 384951006 /nfs/dbraw/zinc/95/10/06/384951006.db2.gz BSWKNDDJGFBWOX-RPTYSRGTSA-N 0 3 240.347 0.989 20 0 BCADHN O=C1NCCC[C@H]1CNC[C@H](O)C(F)(F)F ZINC000644556170 384956231 /nfs/dbraw/zinc/95/62/31/384956231.db2.gz WFSPYIJQDXJTCG-BQBZGAKWSA-N 0 3 240.225 0.025 20 0 BCADHN C[C@H](O)CCCN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000497307479 384957181 /nfs/dbraw/zinc/95/71/81/384957181.db2.gz VOPKDUKNRMLTJL-WDEREUQCSA-N 0 3 244.335 0.920 20 0 BCADHN Cc1noc(C)c1CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188449510 384957449 /nfs/dbraw/zinc/95/74/49/384957449.db2.gz XWBKKYSOBONZGI-WCBMZHEXSA-N 0 3 241.266 0.608 20 0 BCADHN COc1ccccc1CNC[C@@H]1CNCCN1C ZINC000259018746 384957295 /nfs/dbraw/zinc/95/72/95/384957295.db2.gz YEWWRCLJHBJKIQ-ZDUSSCGKSA-N 0 3 249.358 0.688 20 0 BCADHN CO[C@@H](CN1CCOC[C@H](O)C1)C1CC1 ZINC000400146842 384957563 /nfs/dbraw/zinc/95/75/63/384957563.db2.gz ZNJMQGWRJNTYBV-MNOVXSKESA-N 0 3 215.293 0.105 20 0 BCADHN COCC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177155454 384891834 /nfs/dbraw/zinc/89/18/34/384891834.db2.gz CIXDUJLOBKBZDJ-IUCAKERBSA-N 0 3 212.293 0.374 20 0 BCADHN CCOC[C@@H](C)N[C@H]1CC(=O)N(C)C1 ZINC000308650901 384892391 /nfs/dbraw/zinc/89/23/91/384892391.db2.gz KCEODTXJNCPQSE-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN CCOCCNC(=O)CN(C)CC1CCC1 ZINC000084694687 384893617 /nfs/dbraw/zinc/89/36/17/384893617.db2.gz ZNOIZOVCFBUEQL-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CC[C@H](F)C1 ZINC000308650654 384893787 /nfs/dbraw/zinc/89/37/87/384893787.db2.gz KGHDLKXYIRUYBM-HRDYMLBCSA-N 0 3 223.313 0.900 20 0 BCADHN CCN(CCNC(=O)[C@@H](C)NC(C)=O)C1CC1 ZINC000101958848 384903411 /nfs/dbraw/zinc/90/34/11/384903411.db2.gz LIAXNJPDDYEYEJ-SECBINFHSA-N 0 3 241.335 0.112 20 0 BCADHN CCCC[C@](C)(CO)NCc1cnnn1C ZINC000647239585 384908676 /nfs/dbraw/zinc/90/86/76/384908676.db2.gz FRXGTHGLTGNRFJ-LLVKDONJSA-N 0 3 226.324 0.846 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C[C@H]1CCCO1 ZINC000249739431 384909516 /nfs/dbraw/zinc/90/95/16/384909516.db2.gz XHOXRXHPENPUCY-VHSXEESVSA-N 0 3 215.293 0.906 20 0 BCADHN C/C=C/C[C@@H](CO)NC(=O)CN(CC)CC ZINC000187096457 384910142 /nfs/dbraw/zinc/91/01/42/384910142.db2.gz SDJJNRWIMPDMAF-ZPMKCOPCSA-N 0 3 228.336 0.772 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCC(F)(F)F ZINC000127669793 384910732 /nfs/dbraw/zinc/91/07/32/384910732.db2.gz HKOWUZYQLYBPOH-ZCFIWIBFSA-N 0 3 227.230 0.798 20 0 BCADHN C/C=C/C[C@@H](CO)NC(=O)[C@H](CC)N(C)C ZINC000187160782 384916955 /nfs/dbraw/zinc/91/69/55/384916955.db2.gz WEFRMYGDCMSOGI-BZCKNUJPSA-N 0 3 228.336 0.770 20 0 BCADHN C[C@@H](O)CCCN1CCC2(COC(=O)N2)CC1 ZINC000497306077 384959287 /nfs/dbraw/zinc/95/92/87/384959287.db2.gz QCCDQAKRSLELLW-SNVBAGLBSA-N 0 3 242.319 0.722 20 0 BCADHN CCC[C@H](C)N1CCN(CCO)CC1 ZINC000177228387 384923016 /nfs/dbraw/zinc/92/30/16/384923016.db2.gz IXSGVYZDIKJDFA-NSHDSACASA-N 0 3 200.326 0.785 20 0 BCADHN CNC(=O)NC(=O)CN(C)[C@@H](C)C1(C)CC1 ZINC000177228423 384923893 /nfs/dbraw/zinc/92/38/93/384923893.db2.gz LVHDOCVDWUOJKV-QMMMGPOBSA-N 0 3 227.308 0.562 20 0 BCADHN CN1CC[C@](O)(CNC(=O)OCCCF)C1 ZINC000497271117 384926652 /nfs/dbraw/zinc/92/66/52/384926652.db2.gz XOEBTXSYTFZTQR-JTQLQIEISA-N 0 3 234.271 0.139 20 0 BCADHN COCc1ccc(CNC[C@H](O)CO)cc1 ZINC000085246873 384932259 /nfs/dbraw/zinc/93/22/59/384932259.db2.gz UTIMVXVJYFTDBU-LBPRGKRZSA-N 0 3 225.288 0.276 20 0 BCADHN CCC[C@@H](N)C(=O)N(C)[C@H]1CCCCNC1=O ZINC000156705851 384933296 /nfs/dbraw/zinc/93/32/96/384933296.db2.gz IKARIYFDEYBKHW-ZJUUUORDSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@H](O)CN[C@H](c1nccn1C)C1CC1 ZINC000128105270 384935099 /nfs/dbraw/zinc/93/50/99/384935099.db2.gz ZFTSNAYXVHWKLD-WPRPVWTQSA-N 0 3 209.293 0.842 20 0 BCADHN C[C@H](O)[C@H]1CCN([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000162768201 384935144 /nfs/dbraw/zinc/93/51/44/384935144.db2.gz CGOUGBHXDMGPPY-DCAQKATOSA-N 0 3 242.363 0.992 20 0 BCADHN N[C@H](C(=O)NC[C@H]1CCCCO1)C1CCC1 ZINC000331905229 384936034 /nfs/dbraw/zinc/93/60/34/384936034.db2.gz RWNCHOBAINHBMX-MNOVXSKESA-N 0 3 226.320 0.799 20 0 BCADHN CC(C)[C@@H](CO)C(=O)NC1CCN(C)CC1 ZINC000258799817 384936198 /nfs/dbraw/zinc/93/61/98/384936198.db2.gz PALYAYCVCVTHLF-LLVKDONJSA-N 0 3 228.336 0.461 20 0 BCADHN CCS(=O)(=O)NCCNCc1cccn1C ZINC000164198495 384938965 /nfs/dbraw/zinc/93/89/65/384938965.db2.gz YEZNIJLGEAQMOF-UHFFFAOYSA-N 0 3 245.348 0.054 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCN1CCCCC1 ZINC000081900914 384940696 /nfs/dbraw/zinc/94/06/96/384940696.db2.gz CKWOSMJNFOGFOU-NSHDSACASA-N 0 3 248.392 0.495 20 0 BCADHN CC(C)N1C[C@@H](NC[C@@H](O)C(C)(C)C)CC1=O ZINC000644535998 384942907 /nfs/dbraw/zinc/94/29/07/384942907.db2.gz BAHUDPAPUYMRQZ-WDEREUQCSA-N 0 3 242.363 0.992 20 0 BCADHN CN1CCNC[C@@H]1CNCc1cccc(F)c1 ZINC000258795671 384943655 /nfs/dbraw/zinc/94/36/55/384943655.db2.gz AEBASXSASFKYRD-CYBMUJFWSA-N 0 3 237.322 0.819 20 0 BCADHN C[C@@H](Cn1ccnc1)N[C@@H](C)CS(C)(=O)=O ZINC000081900422 384944678 /nfs/dbraw/zinc/94/46/78/384944678.db2.gz QOHDJQZERTWBHR-UWVGGRQHSA-N 0 3 245.348 0.294 20 0 BCADHN CS[C@H]1CN(C(C)=O)C[C@@H]1N(C)C ZINC000306456673 384967662 /nfs/dbraw/zinc/96/76/62/384967662.db2.gz TTXGHYLIGUBWDE-IUCAKERBSA-N 0 3 202.323 0.510 20 0 BCADHN CS[C@H]1CN(C(C)=O)C[C@H]1N(C)C ZINC000306456668 384967970 /nfs/dbraw/zinc/96/79/70/384967970.db2.gz TTXGHYLIGUBWDE-BDAKNGLRSA-N 0 3 202.323 0.510 20 0 BCADHN CN(CCNC(=O)[C@H]1C[C@@]12CCOC2)C1CC1 ZINC000364087774 384968349 /nfs/dbraw/zinc/96/83/49/384968349.db2.gz URAOZADSCAPFEN-DGCLKSJQSA-N 0 3 238.331 0.623 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@@H]1O)N(C)C ZINC000152152694 384969306 /nfs/dbraw/zinc/96/93/06/384969306.db2.gz ADDZTSJPUIWYMN-GRYCIOLGSA-N 0 3 242.363 0.992 20 0 BCADHN CC(=O)NCCN(C)C[C@@H]1CCCOC1 ZINC000557482617 384969240 /nfs/dbraw/zinc/96/92/40/384969240.db2.gz OKMFKJVVYIAPBI-NSHDSACASA-N 0 3 214.309 0.481 20 0 BCADHN Cc1cc(CNC[C@H](O)COC(C)C)n[nH]1 ZINC000644565287 384971679 /nfs/dbraw/zinc/97/16/79/384971679.db2.gz QJQWSQOYOAQBQP-NSHDSACASA-N 0 3 227.308 0.594 20 0 BCADHN Cc1cc(CNC[C@H](O)COC(C)C)[nH]n1 ZINC000644565287 384971685 /nfs/dbraw/zinc/97/16/85/384971685.db2.gz QJQWSQOYOAQBQP-NSHDSACASA-N 0 3 227.308 0.594 20 0 BCADHN Cc1ccsc1CN1C[C@@H](O)C[C@H]1CO ZINC000187667977 384972230 /nfs/dbraw/zinc/97/22/30/384972230.db2.gz JWHZEJISFJWJFQ-UWVGGRQHSA-N 0 3 227.329 0.984 20 0 BCADHN NC(C(=O)NCCC(F)(F)F)C(F)(F)F ZINC000336679310 384973371 /nfs/dbraw/zinc/97/33/71/384973371.db2.gz QXJNJVXHSMJGRA-VKHMYHEASA-N 0 3 238.131 0.945 20 0 BCADHN CC(=O)NC1CCC(NC2COC2)CC1 ZINC000331982674 384973782 /nfs/dbraw/zinc/97/37/82/384973782.db2.gz NOZWEKJVNOUFGF-UHFFFAOYSA-N 0 3 212.293 0.422 20 0 BCADHN C[C@H](O)CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000085989719 384977117 /nfs/dbraw/zinc/97/71/17/384977117.db2.gz OGWVGMDLUPECPY-CMPLNLGQSA-N 0 3 236.315 0.964 20 0 BCADHN COC[C@@](C)(O)CNCc1ccns1 ZINC000404412826 384980411 /nfs/dbraw/zinc/98/04/11/384980411.db2.gz KVOVYYWULCAZAX-VIFPVBQESA-N 0 3 216.306 0.630 20 0 BCADHN CCN1CCC(NC(=O)c2ccc(N)cn2)CC1 ZINC000156819491 384981401 /nfs/dbraw/zinc/98/14/01/384981401.db2.gz WDNFHORMIDYRFO-UHFFFAOYSA-N 0 3 248.330 0.878 20 0 BCADHN C[C@@H](O)CN[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000644581534 384987840 /nfs/dbraw/zinc/98/78/40/384987840.db2.gz DLQUWXSXIRTUBL-BDAKNGLRSA-N 0 3 214.309 0.356 20 0 BCADHN CO[C@@H]1COC[C@H]1NCc1[nH]ncc1C ZINC000647242122 384989663 /nfs/dbraw/zinc/98/96/63/384989663.db2.gz HXYKCIHLYHADAH-NXEZZACHSA-N 0 3 211.265 0.222 20 0 BCADHN CO[C@@H](C)C(=O)NC1(CN(C)C)CCC1 ZINC000339398848 384990077 /nfs/dbraw/zinc/99/00/77/384990077.db2.gz DPSQZURGXAURKC-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN COC(C)(C)[C@@H](C)N[C@@H](C)C(=O)NCCF ZINC000309977162 384991312 /nfs/dbraw/zinc/99/13/12/384991312.db2.gz UEPGXTOTXCMIDV-DTWKUNHWSA-N 0 3 234.315 0.864 20 0 BCADHN CO[C@@]1(CNCc2ccncc2)CCOC1 ZINC000156866658 384996809 /nfs/dbraw/zinc/99/68/09/384996809.db2.gz YBSUGHPRWPWSCG-GFCCVEGCSA-N 0 3 222.288 0.977 20 0 BCADHN C[C@@H](N[C@@H](C)CC(N)=O)c1cnn(C)c1 ZINC000129454560 384999464 /nfs/dbraw/zinc/99/94/64/384999464.db2.gz SWGYQPVIXXPOJL-JGVFFNPUSA-N 0 3 210.281 0.335 20 0 BCADHN C[C@@H](CN(C)C)NCc1ccc(CO)o1 ZINC000130119115 385022597 /nfs/dbraw/zinc/02/25/97/385022597.db2.gz ZTBNLAKSDSNPBC-VIFPVBQESA-N 0 3 212.293 0.812 20 0 BCADHN COCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC000557534801 385002509 /nfs/dbraw/zinc/00/25/09/385002509.db2.gz SZWQCFLRXXAWRT-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCSC1 ZINC000129561642 385003768 /nfs/dbraw/zinc/00/37/68/385003768.db2.gz XYBXIPBNVNDZNN-RKDXNWHRSA-N 0 3 237.390 0.905 20 0 BCADHN C[C@@H](O)CN[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000644600552 385004004 /nfs/dbraw/zinc/00/40/04/385004004.db2.gz OTPKMUKFCKJTDT-MNOVXSKESA-N 0 3 240.347 0.890 20 0 BCADHN C[C@@H](NCCCc1cnn(C)c1)C(=O)N(C)C ZINC000314401263 385004950 /nfs/dbraw/zinc/00/49/50/385004950.db2.gz VDARXTACCODISG-SNVBAGLBSA-N 0 3 238.335 0.419 20 0 BCADHN C[C@H](CN[C@@H](C)[C@H]1CCCCO1)S(C)(=O)=O ZINC000644616889 385006961 /nfs/dbraw/zinc/00/69/61/385006961.db2.gz SLWRREACCHDKOI-OUAUKWLOSA-N 0 3 249.376 0.967 20 0 BCADHN CSC[C@H](C)NCc1cnnn1C ZINC000129772166 385006992 /nfs/dbraw/zinc/00/69/92/385006992.db2.gz RMVFUCYABGTGRZ-ZETCQYMHSA-N 0 3 200.311 0.656 20 0 BCADHN CCc1cnccc1CNCCC(N)=O ZINC000644617130 385007814 /nfs/dbraw/zinc/00/78/14/385007814.db2.gz RSROADLLURKBTJ-UHFFFAOYSA-N 0 3 207.277 0.609 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)c1ccccc1)c1nc[nH]n1 ZINC000226408278 385010795 /nfs/dbraw/zinc/01/07/95/385010795.db2.gz NTVMFKIFTBJEOK-WPRPVWTQSA-N 0 3 245.286 0.682 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)c1ccccc1)c1nnc[nH]1 ZINC000226408278 385010799 /nfs/dbraw/zinc/01/07/99/385010799.db2.gz NTVMFKIFTBJEOK-WPRPVWTQSA-N 0 3 245.286 0.682 20 0 BCADHN COCCNCCNC(=O)[C@H]1CCO[C@@H](C)C1 ZINC000646905184 385014088 /nfs/dbraw/zinc/01/40/88/385014088.db2.gz NZDYRWKPXICSKB-QWRGUYRKSA-N 0 3 244.335 0.154 20 0 BCADHN CC[C@H](NC(=O)CN)c1c(C)noc1C ZINC000518377065 385014422 /nfs/dbraw/zinc/01/44/22/385014422.db2.gz PNRVXUIDUJJFOZ-QMMMGPOBSA-N 0 3 211.265 0.817 20 0 BCADHN O[C@]1(CNCc2ccns2)CCOC1 ZINC000404466352 385014898 /nfs/dbraw/zinc/01/48/98/385014898.db2.gz SRILLMLENDVHGJ-VIFPVBQESA-N 0 3 214.290 0.384 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H]1CC(=O)N(C)C1 ZINC000308705065 385015635 /nfs/dbraw/zinc/01/56/35/385015635.db2.gz WNRULRIHRUUEBK-DJLDLDEBSA-N 0 3 200.282 0.230 20 0 BCADHN CNC(=O)CCCNCc1ccns1 ZINC000404472415 385016529 /nfs/dbraw/zinc/01/65/29/385016529.db2.gz RYYCPXPTPBBBCR-UHFFFAOYSA-N 0 3 213.306 0.759 20 0 BCADHN CCSCCN[C@@H]1CCCNC1=O ZINC000128937462 384963848 /nfs/dbraw/zinc/96/38/48/384963848.db2.gz POERDDXIDUOOOO-MRVPVSSYSA-N 0 3 202.323 0.608 20 0 BCADHN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000157026913 385048535 /nfs/dbraw/zinc/04/85/35/385048535.db2.gz PBDQZGQXBRXYRI-VHSXEESVSA-N 0 3 241.335 0.098 20 0 BCADHN CC(C)[C@H](O)CN1CCN2C(=O)CC[C@H]2C1 ZINC000300906866 385049073 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SGVNUAAGTXZHMS-PWSUYJOCSA-N 0 3 231.336 0.477 20 0 BCADHN Cc1ccc(NCCCNC(=O)[C@@H](C)N)nc1 ZINC000262715720 385040940 /nfs/dbraw/zinc/04/09/40/385040940.db2.gz VFOOWQGVZMVIHK-SNVBAGLBSA-N 0 3 236.319 0.655 20 0 BCADHN CO[C@@H](C)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000105327971 385041707 /nfs/dbraw/zinc/04/17/07/385041707.db2.gz ICGJPFNXJGEBDG-VHSXEESVSA-N 0 3 214.309 0.574 20 0 BCADHN CC(C)Cn1nccc1CNC[C@@](C)(O)CO ZINC000647208024 385083467 /nfs/dbraw/zinc/08/34/67/385083467.db2.gz ZSQYADFQQDNXRU-GFCCVEGCSA-N 0 3 241.335 0.372 20 0 BCADHN O[C@H](CNC1CC(F)(F)C1)Cn1cccn1 ZINC000644632522 385045749 /nfs/dbraw/zinc/04/57/49/385045749.db2.gz ZREYNJDLBCWBTJ-SECBINFHSA-N 0 3 231.246 0.631 20 0 BCADHN COC(=O)CCC1CCN([C@@H](C)C(N)=O)CC1 ZINC000530764326 385046094 /nfs/dbraw/zinc/04/60/94/385046094.db2.gz OZSVIYHCELOFHI-VIFPVBQESA-N 0 3 242.319 0.525 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1cnn(C)c1C ZINC000226697643 385046266 /nfs/dbraw/zinc/04/62/66/385046266.db2.gz AWSVGMMADMMOGR-GFCCVEGCSA-N 0 3 238.335 0.862 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000043427594 385046426 /nfs/dbraw/zinc/04/64/26/385046426.db2.gz QPRBMIDRBFJURS-LPEHRKFASA-N 0 3 212.293 0.504 20 0 BCADHN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N)C1 ZINC000157027497 385047261 /nfs/dbraw/zinc/04/72/61/385047261.db2.gz PBDQZGQXBRXYRI-NXEZZACHSA-N 0 3 241.335 0.098 20 0 BCADHN COCCN(C)C[C@H](O)CN1CC[C@@](C)(F)C1 ZINC000518394817 385047279 /nfs/dbraw/zinc/04/72/79/385047279.db2.gz ZNTMUWDKUYLAFU-NWDGAFQWSA-N 0 3 248.342 0.359 20 0 BCADHN CCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000052009873 385110881 /nfs/dbraw/zinc/11/08/81/385110881.db2.gz HZNFRFISFOSYJB-GUBZILKMSA-N 0 3 214.309 0.534 20 0 BCADHN CN(CCc1cccs1)[C@@H]1COC[C@@H]1O ZINC000308796686 385112707 /nfs/dbraw/zinc/11/27/07/385112707.db2.gz KOUKCJYUWNEORF-MNOVXSKESA-N 0 3 227.329 0.982 20 0 BCADHN Cc1nocc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000402677505 385113679 /nfs/dbraw/zinc/11/36/79/385113679.db2.gz XDTKUMFXNQMVAY-LLVKDONJSA-N 0 3 241.291 0.025 20 0 BCADHN Cc1ccc(CCNC(=O)CNC2CC2)cn1 ZINC000154640843 385115744 /nfs/dbraw/zinc/11/57/44/385115744.db2.gz LAWGATZMYYZIKX-UHFFFAOYSA-N 0 3 233.315 0.801 20 0 BCADHN C[NH2+]CC(=O)Nc1cccc(-c2nnc[n-]2)c1 ZINC000157241388 385118838 /nfs/dbraw/zinc/11/88/38/385118838.db2.gz UVPKQIVPSFJLBJ-UHFFFAOYSA-N 0 3 231.259 0.630 20 0 BCADHN CNCC(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000157241388 385118844 /nfs/dbraw/zinc/11/88/44/385118844.db2.gz UVPKQIVPSFJLBJ-UHFFFAOYSA-N 0 3 231.259 0.630 20 0 BCADHN C[C@@H](C(=O)NC[C@H]1CNCCO1)c1ccccc1 ZINC000235060200 385125471 /nfs/dbraw/zinc/12/54/71/385125471.db2.gz BFVADHVJBZUWLT-DGCLKSJQSA-N 0 3 248.326 0.895 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000227378682 385126302 /nfs/dbraw/zinc/12/63/02/385126302.db2.gz BKUWKMDKHONVMV-HBNTYKKESA-N 0 3 228.336 0.903 20 0 BCADHN CO[C@H](CN)C(=O)N(C)c1cccc(C)c1 ZINC000227379922 385126949 /nfs/dbraw/zinc/12/69/49/385126949.db2.gz PKRNBNJLXYZBJT-LLVKDONJSA-N 0 3 222.288 0.932 20 0 BCADHN 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ZINC000227391488 385137252 /nfs/dbraw/zinc/13/72/52/385137252.db2.gz IZJHJFSVKQRDRR-NSHDSACASA-N 0 3 238.287 0.867 20 0 BCADHN CC(C(=O)N[C@H]1CCC[C@H]1C)S(C)(=O)=O ZINC000407955442 385139295 /nfs/dbraw/zinc/13/92/95/385139295.db2.gz ICYSKWRGNPNKDV-HLTSFMKQSA-N 0 3 233.333 0.724 20 0 BCADHN CC(=O)N[C@@H]1CCCN([C@H]2CCOC2)C1 ZINC000336329240 385086668 /nfs/dbraw/zinc/08/66/68/385086668.db2.gz DZLZGWCKDJIEDK-MNOVXSKESA-N 0 3 212.293 0.376 20 0 BCADHN COC[C@H](O)CN(C)CCc1ncc(C)s1 ZINC000128949551 385088392 /nfs/dbraw/zinc/08/83/92/385088392.db2.gz IEVIOZVCDMULTE-SNVBAGLBSA-N 0 3 244.360 0.933 20 0 BCADHN CC(C)N1CCN(CC[C@@H]2CCNC2=O)CC1 ZINC000559636481 385089023 /nfs/dbraw/zinc/08/90/23/385089023.db2.gz BPKVOYCMBAUUJS-LBPRGKRZSA-N 0 3 239.363 0.539 20 0 BCADHN COC1(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC1 ZINC000648284992 385090079 /nfs/dbraw/zinc/09/00/79/385090079.db2.gz WSIORTOPWZIDRC-LLVKDONJSA-N 0 3 238.331 0.861 20 0 BCADHN CC(C)N1CCN(CC[C@H]2CCNC2=O)CC1 ZINC000559636477 385091452 /nfs/dbraw/zinc/09/14/52/385091452.db2.gz BPKVOYCMBAUUJS-GFCCVEGCSA-N 0 3 239.363 0.539 20 0 BCADHN CC(C)N1CC[C@H](N(C)CC(C)(C)O)C1=O ZINC000177730230 385091994 /nfs/dbraw/zinc/09/19/94/385091994.db2.gz QADSLIPXTYRLTI-JTQLQIEISA-N 0 3 228.336 0.698 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@H]1CSC1(C)C ZINC000336684283 385092705 /nfs/dbraw/zinc/09/27/05/385092705.db2.gz JRDZSBYDYQGLAT-YUMQZZPRSA-N 0 3 237.390 0.903 20 0 BCADHN CC[C@@H](C(N)=O)N1CCCO[C@H](CC)C1 ZINC000308772224 385095681 /nfs/dbraw/zinc/09/56/81/385095681.db2.gz LEQJNYHTZIHHIJ-ZJUUUORDSA-N 0 3 214.309 0.751 20 0 BCADHN CC[C@@H](C(N)=O)N1CCCO[C@@H](CC)C1 ZINC000308772222 385096054 /nfs/dbraw/zinc/09/60/54/385096054.db2.gz LEQJNYHTZIHHIJ-UWVGGRQHSA-N 0 3 214.309 0.751 20 0 BCADHN CO[C@@H](C)CN1CCC[C@@H](N2CCOCC2)C1 ZINC000559642222 385100308 /nfs/dbraw/zinc/10/03/08/385100308.db2.gz NKWGLGUGJQQVOT-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN CCOC[C@@H]1CCCN([C@H](C)C(N)=O)C1 ZINC000246265134 385141040 /nfs/dbraw/zinc/14/10/40/385141040.db2.gz ADRDCEWYBRTRDQ-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN Cc1cc(C(=O)NC[C@](C)(O)CN(C)C)co1 ZINC000188882380 385100676 /nfs/dbraw/zinc/10/06/76/385100676.db2.gz ZRJKTMFWHSJDTA-LBPRGKRZSA-N 0 3 240.303 0.630 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2ccc(N)cn2)C1 ZINC000568888038 385101591 /nfs/dbraw/zinc/10/15/91/385101591.db2.gz VWWJLADWAMROKI-SNVBAGLBSA-N 0 3 248.330 0.735 20 0 BCADHN CCN(C[C@@H]1CCCO1)[C@@H]1COC[C@H]1O ZINC000308811353 385181860 /nfs/dbraw/zinc/18/18/60/385181860.db2.gz QKIQZSNQDMUMEM-HBNTYKKESA-N 0 3 215.293 0.247 20 0 BCADHN C[C@@H](O)CN(CCO)CCOc1ccccc1 ZINC000289379539 385184146 /nfs/dbraw/zinc/18/41/46/385184146.db2.gz CDRWBUICKNZYRS-GFCCVEGCSA-N 0 3 239.315 0.741 20 0 BCADHN N[C@@H](CNC(=O)[C@@H]1CCCO1)c1ccccc1 ZINC000062838150 385190407 /nfs/dbraw/zinc/19/04/07/385190407.db2.gz VVKFZFKSCQOZFM-RYUDHWBXSA-N 0 3 234.299 0.982 20 0 BCADHN N[C@@H](CNC(=O)[C@H]1CCCO1)c1ccccc1 ZINC000062838152 385191562 /nfs/dbraw/zinc/19/15/62/385191562.db2.gz VVKFZFKSCQOZFM-NWDGAFQWSA-N 0 3 234.299 0.982 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)Cn2cccn2)CN1C1CC1 ZINC000177156554 385192655 /nfs/dbraw/zinc/19/26/55/385192655.db2.gz LZTJACBABHGTNS-MNOVXSKESA-N 0 3 248.330 0.625 20 0 BCADHN CCCCOCCN1CCC[C@@](O)(CO)C1 ZINC000313627281 385193095 /nfs/dbraw/zinc/19/30/95/385193095.db2.gz MWADIWARKGPZTA-LBPRGKRZSA-N 0 3 231.336 0.622 20 0 BCADHN CCCCOCCN1CCC[C@](O)(CO)C1 ZINC000313627280 385193472 /nfs/dbraw/zinc/19/34/72/385193472.db2.gz MWADIWARKGPZTA-GFCCVEGCSA-N 0 3 231.336 0.622 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000644728517 385193572 /nfs/dbraw/zinc/19/35/72/385193572.db2.gz IGVIJTRVDDLULI-GHMZBOCLSA-N 0 3 225.336 0.101 20 0 BCADHN CCCCNC(=O)CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644728800 385195146 /nfs/dbraw/zinc/19/51/46/385195146.db2.gz JPDMFROUQOUFEL-NEPJUHHUSA-N 0 3 239.363 0.539 20 0 BCADHN CCCCN(CCC(=O)N(C)CC)CC(N)=O ZINC000178190725 385198124 /nfs/dbraw/zinc/19/81/24/385198124.db2.gz QWVAUSAFGNCLRQ-UHFFFAOYSA-N 0 3 243.351 0.442 20 0 BCADHN CC(C)(CNCc1cn[nH]c1)[C@]1(O)CCOC1 ZINC000647246894 385144296 /nfs/dbraw/zinc/14/42/96/385144296.db2.gz SSGQSYDLSNUEQE-LBPRGKRZSA-N 0 3 239.319 0.677 20 0 BCADHN CC(=O)c1ccc(C(=O)NC[C@@H](C)[NH3+])cc1[O-] ZINC000647020809 385148561 /nfs/dbraw/zinc/14/85/61/385148561.db2.gz NERIRWZSVPBMKQ-SSDOTTSWSA-N 0 3 236.271 0.672 20 0 BCADHN CC(C)(O)CCN1CCN(c2ncc[nH]2)CC1 ZINC000559751285 385153835 /nfs/dbraw/zinc/15/38/35/385153835.db2.gz DHNPNBWPZNCUBH-UHFFFAOYSA-N 0 3 238.335 0.693 20 0 BCADHN CO[C@@H](C)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000336355661 385153889 /nfs/dbraw/zinc/15/38/89/385153889.db2.gz FQFOQFMLWBCNFY-WCQYABFASA-N 0 3 240.347 0.966 20 0 BCADHN Cc1cc(CC(=O)NCCN(C)C)no1 ZINC000062065839 385154063 /nfs/dbraw/zinc/15/40/63/385154063.db2.gz NVXBSCVVGGGMRT-UHFFFAOYSA-N 0 3 211.265 0.203 20 0 BCADHN Cc1ccc([C@@H](CNC(=O)CN)N(C)C)cc1 ZINC000165627561 385157436 /nfs/dbraw/zinc/15/74/36/385157436.db2.gz XKBNZTAUOYVJMX-GFCCVEGCSA-N 0 3 235.331 0.673 20 0 BCADHN Nc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)nc1 ZINC000647057912 385200485 /nfs/dbraw/zinc/20/04/85/385200485.db2.gz ANUSQYRKNQGSLD-CBAPKCEASA-N 0 3 238.266 0.094 20 0 BCADHN CN(CCN1CCCC1)c1nccn2nnnc12 ZINC000530907421 385160062 /nfs/dbraw/zinc/16/00/62/385160062.db2.gz QFCKZXBSMALRJI-UHFFFAOYSA-N 0 3 247.306 0.051 20 0 BCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)CN ZINC000165643689 385168500 /nfs/dbraw/zinc/16/85/00/385168500.db2.gz SKWSRGYEOILFFG-LBPRGKRZSA-N 0 3 235.331 0.234 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cnn(C)c2)CN1C1CC1 ZINC000177043319 385170905 /nfs/dbraw/zinc/17/09/05/385170905.db2.gz RHWYAKZMHZZTKK-KOLCDFICSA-N 0 3 248.330 0.775 20 0 BCADHN O=S(=O)(NC[C@@H]1C[C@H](F)CN1)c1ccoc1 ZINC000647305095 385171818 /nfs/dbraw/zinc/17/18/18/385171818.db2.gz PDXBZRAROGHCRJ-YUMQZZPRSA-N 0 3 248.279 0.258 20 0 BCADHN CO[C@H](CNC(=O)[C@H](C)N)c1ccccc1 ZINC000152319387 385172405 /nfs/dbraw/zinc/17/24/05/385172405.db2.gz XPVDMIIBBRRGAN-GXSJLCMTSA-N 0 3 222.288 0.838 20 0 BCADHN CC1(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)CC1 ZINC000647305107 385174034 /nfs/dbraw/zinc/17/40/34/385174034.db2.gz PYDBQKHLNJHLPI-YUMQZZPRSA-N 0 3 236.312 0.158 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cn[nH]c2)CN1C1CC1 ZINC000177056322 385174396 /nfs/dbraw/zinc/17/43/96/385174396.db2.gz NYQJMHYFHVVLSV-SCZZXKLOSA-N 0 3 234.303 0.765 20 0 BCADHN C[NH+](C)CCCNC(=O)/C=C\c1cncc([O-])c1 ZINC000255914620 385175052 /nfs/dbraw/zinc/17/50/52/385175052.db2.gz LXGCQQLBDAKGTG-PLNGDYQASA-N 0 3 249.314 0.868 20 0 BCADHN C[C@H](O)CN[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000564860981 385177527 /nfs/dbraw/zinc/17/75/27/385177527.db2.gz ZIUIGAQNFRVOQK-LPEHRKFASA-N 0 3 212.293 0.110 20 0 BCADHN NCc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)co1 ZINC000647057980 385201350 /nfs/dbraw/zinc/20/13/50/385201350.db2.gz FUDZPFYNZKTHJZ-IUCAKERBSA-N 0 3 241.266 0.168 20 0 BCADHN CCN(C[C@@H]1CCCO1)[C@H]1COC[C@@H]1O ZINC000308811343 385181072 /nfs/dbraw/zinc/18/10/72/385181072.db2.gz QKIQZSNQDMUMEM-DCAQKATOSA-N 0 3 215.293 0.247 20 0 BCADHN CC(C)[C@@H](C(=O)NCCCCO)N(C)C ZINC000427817477 385206719 /nfs/dbraw/zinc/20/67/19/385206719.db2.gz LWDPSMZVUZSHQH-JTQLQIEISA-N 0 3 216.325 0.461 20 0 BCADHN CN(C)CCNC(=O)c1cn(C)nc1C(F)F ZINC000533659397 385209351 /nfs/dbraw/zinc/20/93/51/385209351.db2.gz HVBRJXLWXUUBKY-UHFFFAOYSA-N 0 3 246.261 0.649 20 0 BCADHN C[C@]1(CNC(=O)[C@@]2(F)CCNC2)CCCO1 ZINC000157533698 385210420 /nfs/dbraw/zinc/21/04/20/385210420.db2.gz FBASCWMPYUDRPQ-GHMZBOCLSA-N 0 3 230.283 0.373 20 0 BCADHN CN1C(=O)NC2(CCN(CCCF)CC2)C1=O ZINC000090005578 385211958 /nfs/dbraw/zinc/21/19/58/385211958.db2.gz YMXJTNOHUZDRQS-UHFFFAOYSA-N 0 3 243.282 0.362 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)c1nnc[n-]1)[NH+](C)C ZINC000165973651 385214065 /nfs/dbraw/zinc/21/40/65/385214065.db2.gz DQNRGUSGWGTUDX-SFYZADRCSA-N 0 3 225.296 0.322 20 0 BCADHN CCN(C)CCNC(=O)c1cnc(Cl)cn1 ZINC000178240472 385219769 /nfs/dbraw/zinc/21/97/69/385219769.db2.gz ZNBKRRJLYXFMDG-UHFFFAOYSA-N 0 3 242.710 0.812 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](C)CO)N(CC)CC ZINC000448261261 385220026 /nfs/dbraw/zinc/22/00/26/385220026.db2.gz DOQNCBKRNLFCHD-QWRGUYRKSA-N 0 3 230.352 0.851 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726694 385225252 /nfs/dbraw/zinc/22/52/52/385225252.db2.gz RYDNDFTZRBMZMT-QMMMGPOBSA-N 0 3 211.309 0.077 20 0 BCADHN C[C@H](CC(N)=O)N[C@H](CO)CC(F)(F)F ZINC000308861309 385227043 /nfs/dbraw/zinc/22/70/43/385227043.db2.gz RMVOKQGTPGDKLW-RITPCOANSA-N 0 3 228.214 0.153 20 0 BCADHN CCOC[C@@H](O)CNCc1cnc(C)s1 ZINC000068951615 385230472 /nfs/dbraw/zinc/23/04/72/385230472.db2.gz DDXRGVKQVNOBNV-VIFPVBQESA-N 0 3 230.333 0.939 20 0 BCADHN Cc1nnc(CN2CC[C@H]3CN(C)C[C@H]32)o1 ZINC000644730506 385257065 /nfs/dbraw/zinc/25/70/65/385257065.db2.gz VUCCWSVBTQJHKY-VHSXEESVSA-N 0 3 222.292 0.514 20 0 BCADHN Cc1ccsc1C(=O)NC[C@H]1CNCCO1 ZINC000227785162 385235693 /nfs/dbraw/zinc/23/56/93/385235693.db2.gz XLBNUSDYUYPBDW-SECBINFHSA-N 0 3 240.328 0.775 20 0 BCADHN Cn1ccnc1CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644730458 385257387 /nfs/dbraw/zinc/25/73/87/385257387.db2.gz VSNIGFMKXSVOSF-MNOVXSKESA-N 0 3 220.320 0.556 20 0 BCADHN COC(=O)[C@]1(C)CCN(Cc2cnn(C)c2)C1 ZINC000177422477 385239476 /nfs/dbraw/zinc/23/94/76/385239476.db2.gz MCSLRHIZVYHIBX-GFCCVEGCSA-N 0 3 237.303 0.805 20 0 BCADHN CCN1CCC[C@H](Nc2ccc3nnnn3n2)C1 ZINC000108643881 385241801 /nfs/dbraw/zinc/24/18/01/385241801.db2.gz NUSHXEDUQIWIQL-VIFPVBQESA-N 0 3 247.306 0.416 20 0 BCADHN CCC[C@H](C(=O)N1CC(NC(C)=O)C1)N(C)C ZINC000190469452 385242561 /nfs/dbraw/zinc/24/25/61/385242561.db2.gz KKAASTBGGVPYHK-LLVKDONJSA-N 0 3 241.335 0.064 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C1CC=CC1 ZINC000153249585 385243452 /nfs/dbraw/zinc/24/34/52/385243452.db2.gz XZPZKXNHRMPYBI-LBPRGKRZSA-N 0 3 226.320 0.381 20 0 BCADHN CCN(C)C(=O)CCN(C)CCn1cccn1 ZINC000130402184 385247765 /nfs/dbraw/zinc/24/77/65/385247765.db2.gz GFDREFGSENFVAT-UHFFFAOYSA-N 0 3 238.335 0.683 20 0 BCADHN C[C@@H](N)C(=O)NCCCNc1ccccc1 ZINC000166480654 385248030 /nfs/dbraw/zinc/24/80/30/385248030.db2.gz NGKCIBAJUCDSRR-SNVBAGLBSA-N 0 3 221.304 0.952 20 0 BCADHN O=C(CNc1ccccc1)NC[C@H]1CNCCO1 ZINC000647086574 385248501 /nfs/dbraw/zinc/24/85/01/385248501.db2.gz HDGSDVBGZKXCDJ-GFCCVEGCSA-N 0 3 249.314 0.203 20 0 BCADHN CN(CCOCCO)[C@H]1CCCOC1 ZINC000301051452 385249109 /nfs/dbraw/zinc/24/91/09/385249109.db2.gz UOFCZZURXOKMGC-JTQLQIEISA-N 0 3 203.282 0.106 20 0 BCADHN CC1CCN(C[C@H](O)CNC(=O)N(C)C)CC1 ZINC000109137242 385250640 /nfs/dbraw/zinc/25/06/40/385250640.db2.gz SRMWETYHZIJJMP-LLVKDONJSA-N 0 3 243.351 0.350 20 0 BCADHN Cc1nnc(CN2CC[C@@H]3CN(C)C[C@@H]32)o1 ZINC000644730507 385255576 /nfs/dbraw/zinc/25/55/76/385255576.db2.gz VUCCWSVBTQJHKY-ZJUUUORDSA-N 0 3 222.292 0.514 20 0 BCADHN CCOC[C@H]1CCCN([C@@H]2CCNC2=O)C1 ZINC000178202774 385203513 /nfs/dbraw/zinc/20/35/13/385203513.db2.gz XUJJBNPHJHFROX-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CCN(CC)CC(=O)N1CCCOCC1 ZINC000363377705 385203687 /nfs/dbraw/zinc/20/36/87/385203687.db2.gz HYVMWFQXHZKBAP-UHFFFAOYSA-N 0 3 214.309 0.577 20 0 BCADHN Cc1nn(C)cc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058566 385204164 /nfs/dbraw/zinc/20/41/64/385204164.db2.gz RGXKYCQONGWKEI-IUCAKERBSA-N 0 3 240.282 0.158 20 0 BCADHN CCN(CC1CC1)[C@@H](C)C(=O)NC(=O)NC ZINC000157902876 385305282 /nfs/dbraw/zinc/30/52/82/385305282.db2.gz LXXFQTJWUUVRLL-QMMMGPOBSA-N 0 3 227.308 0.562 20 0 BCADHN CNCC(=O)Nc1cnn(CC2CC2)c1 ZINC000178619679 385308819 /nfs/dbraw/zinc/30/88/19/385308819.db2.gz OWVUSOKSZLNURN-UHFFFAOYSA-N 0 3 208.265 0.451 20 0 BCADHN Cc1ccc(NC(=O)C[C@H]2CNCCO2)cn1 ZINC000164856778 385318073 /nfs/dbraw/zinc/31/80/73/385318073.db2.gz XSSZVKCUXOUKCP-NSHDSACASA-N 0 3 235.287 0.707 20 0 BCADHN C[C@]1(O)CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC000178004292 385319250 /nfs/dbraw/zinc/31/92/50/385319250.db2.gz IOQVYFVLRNGJIF-ZDUSSCGKSA-N 0 3 234.299 0.742 20 0 BCADHN CCN(CC(N)=O)CC1(O)CCC(C)CC1 ZINC000191732329 385321146 /nfs/dbraw/zinc/32/11/46/385321146.db2.gz MUSAIKDDGYVJNS-UHFFFAOYSA-N 0 3 228.336 0.735 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](C)N)CCS1 ZINC000157710341 385261117 /nfs/dbraw/zinc/26/11/17/385261117.db2.gz QRKQQDAPPGDCIC-YUMQZZPRSA-N 0 3 202.323 0.688 20 0 BCADHN C[C@H](N)C(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000157731176 385261219 /nfs/dbraw/zinc/26/12/19/385261219.db2.gz UMIPYRIEQOGXMZ-AXFHLTTASA-N 0 3 228.336 0.781 20 0 BCADHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2c[n-]nn2)C1 ZINC000177581926 385263182 /nfs/dbraw/zinc/26/31/82/385263182.db2.gz KPOWRBYOANMGCW-RKDXNWHRSA-N 0 3 237.307 0.407 20 0 BCADHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC000177581926 385263186 /nfs/dbraw/zinc/26/31/86/385263186.db2.gz KPOWRBYOANMGCW-RKDXNWHRSA-N 0 3 237.307 0.407 20 0 BCADHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000177581926 385263189 /nfs/dbraw/zinc/26/31/89/385263189.db2.gz KPOWRBYOANMGCW-RKDXNWHRSA-N 0 3 237.307 0.407 20 0 BCADHN C[C@]1(O)CCN(Cc2cccc(C(N)=O)c2)C1 ZINC000178021848 385322918 /nfs/dbraw/zinc/32/29/18/385322918.db2.gz KPQUNZSKOPWIKW-ZDUSSCGKSA-N 0 3 234.299 0.742 20 0 BCADHN CC(C)N(C)CC(=O)N(C)CCn1cccn1 ZINC000111038798 385279397 /nfs/dbraw/zinc/27/93/97/385279397.db2.gz SBCGOGAROOYZOK-UHFFFAOYSA-N 0 3 238.335 0.682 20 0 BCADHN Cc1c[nH]nc1CNC[C@](C)(O)C1CC1 ZINC000308906433 385281196 /nfs/dbraw/zinc/28/11/96/385281196.db2.gz CQOIDHMIRPYDGZ-NSHDSACASA-N 0 3 209.293 0.969 20 0 BCADHN CNC(=O)CCCNCc1n[nH]cc1C ZINC000308915280 385281653 /nfs/dbraw/zinc/28/16/53/385281653.db2.gz FSXSQQILNXKOIM-UHFFFAOYSA-N 0 3 210.281 0.334 20 0 BCADHN CN(C)CCNC(=O)c1cccc2[nH]c(=O)oc21 ZINC000130747476 385283472 /nfs/dbraw/zinc/28/34/72/385283472.db2.gz NUKPELGXJQPWCJ-UHFFFAOYSA-N 0 3 249.270 0.413 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCOC[C@H]1C ZINC000558021894 385286812 /nfs/dbraw/zinc/28/68/12/385286812.db2.gz AHSIFVGBLQAERY-VWYCJHECSA-N 0 3 228.336 0.725 20 0 BCADHN C[C@@H](O)C(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000558026597 385287748 /nfs/dbraw/zinc/28/77/48/385287748.db2.gz SYSDIJFNDYGEFE-YFKTTZPYSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000157886652 385295853 /nfs/dbraw/zinc/29/58/53/385295853.db2.gz MZDLMUIAHJHEFX-SCVCMEIPSA-N 0 3 236.315 0.442 20 0 BCADHN COC(=O)c1ccc(CN[C@@H](C)[C@H](C)CO)[nH]1 ZINC000167067681 385296153 /nfs/dbraw/zinc/29/61/53/385296153.db2.gz KFOYCMMRSPOCFT-BDAKNGLRSA-N 0 3 240.303 0.908 20 0 BCADHN COC(=O)C(C)(C)CCN[C@@H](C)C(N)=O ZINC000308945010 385301710 /nfs/dbraw/zinc/30/17/10/385301710.db2.gz NLAHNEWMVMYSTE-ZETCQYMHSA-N 0 3 216.281 0.039 20 0 BCADHN CCS(=O)(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000364288569 385329149 /nfs/dbraw/zinc/32/91/49/385329149.db2.gz FOLXCJZUPLVBOL-UWVGGRQHSA-N 0 3 232.349 0.362 20 0 BCADHN CCN1C[C@H](N[C@@H](C)COC)CC1=O ZINC000391592375 385329472 /nfs/dbraw/zinc/32/94/72/385329472.db2.gz FYBQDERVIZGNSB-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN COCCCNC(=O)CN1CCC[C@@H]1C ZINC000154478449 385330516 /nfs/dbraw/zinc/33/05/16/385330516.db2.gz QDVUGHIHUFSTRX-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@@H](C(N)=O)C1 ZINC000408059963 385388580 /nfs/dbraw/zinc/38/85/80/385388580.db2.gz DOCSCXJQUISXTD-SECBINFHSA-N 0 3 222.292 0.036 20 0 BCADHN CC(C)(C)NC(=O)CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228105619 385335813 /nfs/dbraw/zinc/33/58/13/385335813.db2.gz AMSIYPHDHRXKMB-HBNTYKKESA-N 0 3 240.347 0.604 20 0 BCADHN Cn1nccc1CNCC1([S@](C)=O)CCC1 ZINC000280581676 385339042 /nfs/dbraw/zinc/33/90/42/385339042.db2.gz HNWFOVAFLMXFLE-INIZCTEOSA-N 0 3 241.360 0.811 20 0 BCADHN CN1CC[C@@H]2CCN(c3nccn(C)c3=O)C[C@H]21 ZINC000364301479 385339038 /nfs/dbraw/zinc/33/90/38/385339038.db2.gz IGOIKABBTSDMIN-GHMZBOCLSA-N 0 3 248.330 0.311 20 0 BCADHN C[C@@H](N[C@H]1CCOC1)C(=O)NCc1ccco1 ZINC000131492216 385340524 /nfs/dbraw/zinc/34/05/24/385340524.db2.gz XWFZXZMEACIEHN-ZJUUUORDSA-N 0 3 238.287 0.663 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@H](N(C)C)C1 ZINC000109806375 385340593 /nfs/dbraw/zinc/34/05/93/385340593.db2.gz FYESGHBIDFGEAW-UWVGGRQHSA-N 0 3 213.325 0.276 20 0 BCADHN C[C@H](C[C@H]1CCOC1)NC(=O)[C@H]1NCC1(C)C ZINC000643979115 385341292 /nfs/dbraw/zinc/34/12/92/385341292.db2.gz GFSXSLKBNJVPHG-GMTAPVOTSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@H](C[C@@H]1CCOC1)NC(=O)[C@H]1NCC1(C)C ZINC000643979117 385341992 /nfs/dbraw/zinc/34/19/92/385341992.db2.gz GFSXSLKBNJVPHG-OUAUKWLOSA-N 0 3 240.347 0.916 20 0 BCADHN Cc1cc(CC(=O)NC[C@H]2CCCN2C)[nH]n1 ZINC000154609651 385342834 /nfs/dbraw/zinc/34/28/34/385342834.db2.gz YGRGOBYIMFQBSX-LLVKDONJSA-N 0 3 236.319 0.471 20 0 BCADHN Cc1cc(CC(=O)NC[C@H]2CCCN2C)n[nH]1 ZINC000154609651 385342840 /nfs/dbraw/zinc/34/28/40/385342840.db2.gz YGRGOBYIMFQBSX-LLVKDONJSA-N 0 3 236.319 0.471 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@@H](CO)c1cnn(C)c1 ZINC000131558338 385344438 /nfs/dbraw/zinc/34/44/38/385344438.db2.gz WDDBYZNLLVOQLI-KKZNHRDASA-N 0 3 227.308 0.467 20 0 BCADHN C[C@H](CNCCCC1(O)CCC1)S(C)(=O)=O ZINC000521030934 385345549 /nfs/dbraw/zinc/34/55/49/385345549.db2.gz JEMNVVLMNFOZOO-SNVBAGLBSA-N 0 3 249.376 0.704 20 0 BCADHN C[C@@H](CNC(=O)CNC[C@H]1CCCO1)C1CC1 ZINC000643982502 385347711 /nfs/dbraw/zinc/34/77/11/385347711.db2.gz NNSQRXOADLERCD-CMPLNLGQSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1ccnn1C ZINC000192251877 385350756 /nfs/dbraw/zinc/35/07/56/385350756.db2.gz ZUXVARMEYDNEHQ-ZJUUUORDSA-N 0 3 236.319 0.692 20 0 BCADHN CCc1nc(CN2CC[C@H]3CN(C)C[C@H]32)no1 ZINC000644736632 385389509 /nfs/dbraw/zinc/38/95/09/385389509.db2.gz OXZRTJMODVUVQO-VHSXEESVSA-N 0 3 236.319 0.768 20 0 BCADHN COc1ccc(CN2CC[C@H]3CN(C)C[C@@H]32)nn1 ZINC000644735045 385351462 /nfs/dbraw/zinc/35/14/62/385351462.db2.gz PHORGPNEYFERMV-JQWIXIFHSA-N 0 3 248.330 0.621 20 0 BCADHN C[C@@H](C(=O)N1CCNCC1)[C@H](N)c1ccccc1 ZINC000131665159 385351969 /nfs/dbraw/zinc/35/19/69/385351969.db2.gz YPWKSPOXLZSHKL-YPMHNXCESA-N 0 3 247.342 0.754 20 0 BCADHN Cc1nccc(CN2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000644735029 385352124 /nfs/dbraw/zinc/35/21/24/385352124.db2.gz UGFAQUGOSSIFLQ-YPMHNXCESA-N 0 3 232.331 0.921 20 0 BCADHN Cn1cccc1C(=O)CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000644735121 385352230 /nfs/dbraw/zinc/35/22/30/385352230.db2.gz VQLZRFSGGCSNTI-AAEUAGOBSA-N 0 3 247.342 0.844 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644735260 385352386 /nfs/dbraw/zinc/35/23/86/385352386.db2.gz UUVUFKUJDFWUHY-NEPJUHHUSA-N 0 3 239.363 0.491 20 0 BCADHN C[C@@H](C(=O)NCCC(N)=O)[C@@H](N)c1ccccc1 ZINC000131673088 385354218 /nfs/dbraw/zinc/35/42/18/385354218.db2.gz PCUHYYMTDZQYRW-BXKDBHETSA-N 0 3 249.314 0.314 20 0 BCADHN C[C@@H](C(=O)NCCC(N)=O)[C@H](N)c1ccccc1 ZINC000131672689 385354353 /nfs/dbraw/zinc/35/43/53/385354353.db2.gz PCUHYYMTDZQYRW-SKDRFNHKSA-N 0 3 249.314 0.314 20 0 BCADHN C[C@@H]1[C@H](C)N(C(=O)/C=C/CN(C)C)CCN1C ZINC000492344861 385361040 /nfs/dbraw/zinc/36/10/40/385361040.db2.gz WHLKPZLAEMLHSV-JIVBQCDMSA-N 0 3 239.363 0.655 20 0 BCADHN C[C@H](N[C@@H]1CC(=O)N(C)C1)[C@H]1CCCO1 ZINC000309001344 385363449 /nfs/dbraw/zinc/36/34/49/385363449.db2.gz LNKLMGXGTOTRRJ-IVZWLZJFSA-N 0 3 212.293 0.374 20 0 BCADHN O=C1NC(=O)[C@]2(CCCN([C@H]3C=CCCC3)C2)N1 ZINC000192643971 385364536 /nfs/dbraw/zinc/36/45/36/385364536.db2.gz IDXRHPZLFNZADJ-GXFFZTMASA-N 0 3 249.314 0.769 20 0 BCADHN O=C1NC(=O)[C@]2(CCCN([C@@H]3C=CCCC3)C2)N1 ZINC000192643984 385364983 /nfs/dbraw/zinc/36/49/83/385364983.db2.gz IDXRHPZLFNZADJ-ZWNOBZJWSA-N 0 3 249.314 0.769 20 0 BCADHN CC(C)[C@@](C)(CO)NCc1cnnn1C ZINC000309025188 385367486 /nfs/dbraw/zinc/36/74/86/385367486.db2.gz ZLGFWHXYVFJHIU-SNVBAGLBSA-N 0 3 212.297 0.312 20 0 BCADHN C[C@@H](NC(=O)CC1CCN(C)CC1)C(C)(C)O ZINC000644007443 385369911 /nfs/dbraw/zinc/36/99/11/385369911.db2.gz AQHDRSAXRMZAEZ-SNVBAGLBSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H]1COCCN1CCN1CC[C@@](C)(O)C1 ZINC000192737753 385370319 /nfs/dbraw/zinc/37/03/19/385370319.db2.gz ZQAJBRWTRCEEPI-NWDGAFQWSA-N 0 3 228.336 0.164 20 0 BCADHN CSC[C@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000131978143 385370574 /nfs/dbraw/zinc/37/05/74/385370574.db2.gz PQMKABURZKNEEO-BQBZGAKWSA-N 0 3 239.362 0.287 20 0 BCADHN Cc1cnn(C)c1CN[C@@H](C)C[S@@](C)=O ZINC000309016603 385371252 /nfs/dbraw/zinc/37/12/52/385371252.db2.gz USQPJGAGLCLMOR-BJOHPYRUSA-N 0 3 229.349 0.585 20 0 BCADHN C[C@@H](NCCCOCCO)c1ccnn1C ZINC000193275452 385390392 /nfs/dbraw/zinc/39/03/92/385390392.db2.gz SXHHGMHDWFMHFG-SNVBAGLBSA-N 0 3 227.308 0.470 20 0 BCADHN C[C@H](CNC(=O)N[C@H]1CCOC1)N(C)C1CC1 ZINC000179254263 385372199 /nfs/dbraw/zinc/37/21/99/385372199.db2.gz IRXDHCACQDWSPS-ZJUUUORDSA-N 0 3 241.335 0.557 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCC(C)(C)O ZINC000309021711 385374145 /nfs/dbraw/zinc/37/41/45/385374145.db2.gz VBNDDUWNLPGJAS-SECBINFHSA-N 0 3 237.365 0.560 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)OCC1CC1 ZINC000192903846 385377162 /nfs/dbraw/zinc/37/71/62/385377162.db2.gz GLQKPSOOCJITRR-NSHDSACASA-N 0 3 230.308 0.435 20 0 BCADHN COC(=O)c1ccc(CNCCCCO)o1 ZINC000193279969 385390576 /nfs/dbraw/zinc/39/05/76/385390576.db2.gz BASKEMBSYGXBTG-UHFFFAOYSA-N 0 3 227.260 0.928 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CN(C)C[C@H]1C ZINC000309040656 385377445 /nfs/dbraw/zinc/37/74/45/385377445.db2.gz LBECLYURHKGURI-ZJUUUORDSA-N 0 3 213.325 0.004 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NC[C@]1(C)CCOC1 ZINC000644018666 385379826 /nfs/dbraw/zinc/37/98/26/385379826.db2.gz UKOJGVXHJVCNQL-CABZTGNLSA-N 0 3 226.320 0.527 20 0 BCADHN CC[C@H](COC)NC(=O)[C@H](N)CC(F)F ZINC000309032187 385380678 /nfs/dbraw/zinc/38/06/78/385380678.db2.gz CKMUTSFJGZRUDH-RNFRBKRXSA-N 0 3 224.251 0.510 20 0 BCADHN C[C@H](O)CN(C)CCc1nccs1 ZINC000192999495 385381271 /nfs/dbraw/zinc/38/12/71/385381271.db2.gz IRIJZDMOGKBHHD-QMMMGPOBSA-N 0 3 200.307 0.998 20 0 BCADHN C[C@H](NCC(C)(C)C(N)=O)c1ccnn1C ZINC000193067076 385382828 /nfs/dbraw/zinc/38/28/28/385382828.db2.gz IFSYDCOFXPOGFI-QMMMGPOBSA-N 0 3 224.308 0.582 20 0 BCADHN CN(CCn1cccn1)C(=O)[C@@H]1CCCCN1 ZINC000168805405 385386670 /nfs/dbraw/zinc/38/66/70/385386670.db2.gz KNBKNBUIAVXOMH-NSHDSACASA-N 0 3 236.319 0.484 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)N(C)CCN(C)C ZINC000360681101 385325395 /nfs/dbraw/zinc/32/53/95/385325395.db2.gz IFNIOISDFIAYJS-VHSXEESVSA-N 0 3 231.340 0.613 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)N(C)CCN(C)C ZINC000360681100 385325521 /nfs/dbraw/zinc/32/55/21/385325521.db2.gz IFNIOISDFIAYJS-UWVGGRQHSA-N 0 3 231.340 0.613 20 0 BCADHN CC[C@H](CN[C@@H](C)CS(=O)(=O)CC)OC ZINC000308972106 385326871 /nfs/dbraw/zinc/32/68/71/385326871.db2.gz HBIXHVKFDSJIJQ-VHSXEESVSA-N 0 3 237.365 0.824 20 0 BCADHN Cc1ccncc1CN1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000377665620 385327843 /nfs/dbraw/zinc/32/78/43/385327843.db2.gz ASSKRKVBHGLGKZ-CHWSQXEVSA-N 0 3 245.326 0.958 20 0 BCADHN Cn1ccc(CC(=O)N2CCNCC2(C)C)n1 ZINC000644075221 385424190 /nfs/dbraw/zinc/42/41/90/385424190.db2.gz YRKVJXMKAMBERX-UHFFFAOYSA-N 0 3 236.319 0.173 20 0 BCADHN Cc1ocnc1C(=O)N1CCNCC1(C)C ZINC000644075683 385424438 /nfs/dbraw/zinc/42/44/38/385424438.db2.gz GEFXMNFPXLIGBF-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCSC1)c1cn[nH]c1 ZINC000281079800 385393747 /nfs/dbraw/zinc/39/37/47/385393747.db2.gz UKMMTNYKKBZJAJ-SCZZXKLOSA-N 0 3 227.333 0.928 20 0 BCADHN CN(CCN(C)C1CC1)Cc1c[nH]cn1 ZINC000193387252 385394882 /nfs/dbraw/zinc/39/48/82/385394882.db2.gz JICXQIHPFGJVIN-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN CN(CCn1cncn1)CC1(O)CCCC1 ZINC000309058586 385395704 /nfs/dbraw/zinc/39/57/04/385395704.db2.gz GRHNQPZLJGMLCD-UHFFFAOYSA-N 0 3 224.308 0.515 20 0 BCADHN Cc1noc(CCNC(=O)[C@@H]2NCC2(C)C)n1 ZINC000644043765 385397491 /nfs/dbraw/zinc/39/74/91/385397491.db2.gz KTMOGZJEVSKAIH-VIFPVBQESA-N 0 3 238.291 0.035 20 0 BCADHN Cc1ncc(NC(=O)[C@@H]2NCC2(C)C)cn1 ZINC000644046269 385397781 /nfs/dbraw/zinc/39/77/81/385397781.db2.gz BSVWEJNUKJSQND-VIFPVBQESA-N 0 3 220.276 0.722 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1cnn(C)c1C ZINC000180567877 385399431 /nfs/dbraw/zinc/39/94/31/385399431.db2.gz DMEJTECCXVFCRH-SCZZXKLOSA-N 0 3 227.308 0.386 20 0 BCADHN C=Cn1cc(CN2CCC[C@H](C(N)=O)C2)cn1 ZINC000193577422 385401958 /nfs/dbraw/zinc/40/19/58/385401958.db2.gz DMCHGFNRQLMUBA-NSHDSACASA-N 0 3 234.303 0.681 20 0 BCADHN CCN(CC)CCNC(=O)c1cc(C=O)c[nH]1 ZINC000170234969 385425709 /nfs/dbraw/zinc/42/57/09/385425709.db2.gz IXXLEMFQMSYQEL-UHFFFAOYSA-N 0 3 237.303 0.899 20 0 BCADHN CO[C@@H]1C[C@H](NC(=O)[C@@H]2NCC2(C)C)C1(C)C ZINC000644054403 385406785 /nfs/dbraw/zinc/40/67/85/385406785.db2.gz KLMYBYOQVBHXEG-AEJSXWLSSA-N 0 3 240.347 0.914 20 0 BCADHN C=Cn1cc(CN2CCC[C@@H]2CO)cn1 ZINC000193668250 385407391 /nfs/dbraw/zinc/40/73/91/385407391.db2.gz BEBKECVPNNHPJS-LLVKDONJSA-N 0 3 207.277 0.940 20 0 BCADHN COC[C@@H](C)NCC(=O)NC(C)(C)C ZINC000020041827 385408793 /nfs/dbraw/zinc/40/87/93/385408793.db2.gz DRIHCGPJXXLEIZ-MRVPVSSYSA-N 0 3 202.298 0.526 20 0 BCADHN Cc1cnc(CCN[C@@H]2CCOC2)nc1 ZINC000309093560 385413810 /nfs/dbraw/zinc/41/38/10/385413810.db2.gz CZOOIIVKTVXZCL-SNVBAGLBSA-N 0 3 207.277 0.706 20 0 BCADHN CCCCNC(=O)CN1C[C@H](C)[C@@H](CO)C1 ZINC000362075215 385419761 /nfs/dbraw/zinc/41/97/61/385419761.db2.gz HXSIDYFGNAAIIG-WDEREUQCSA-N 0 3 228.336 0.463 20 0 BCADHN CCn1nccc1C(=O)N1CCNCC1(C)C ZINC000644074863 385423394 /nfs/dbraw/zinc/42/33/94/385423394.db2.gz HKUBDBXPPKXMIB-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)COC(C)(C)C ZINC000182372716 385442564 /nfs/dbraw/zinc/44/25/64/385442564.db2.gz BUAFQOXTBAHVLB-GFCCVEGCSA-N 0 3 246.351 0.230 20 0 BCADHN COC(=O)C[C@H]1CCCN1Cc1cnn(C)c1 ZINC000179130114 385442854 /nfs/dbraw/zinc/44/28/54/385442854.db2.gz DKTOJUGOPQJMHL-LLVKDONJSA-N 0 3 237.303 0.948 20 0 BCADHN CN(Cc1cccnc1)C[C@H](O)CN(C)C1CC1 ZINC000289428474 385444073 /nfs/dbraw/zinc/44/40/73/385444073.db2.gz XIHHHFPRBXRSGP-AWEZNQCLSA-N 0 3 249.358 0.969 20 0 BCADHN CN[C@@H](C)C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000054076840 385451949 /nfs/dbraw/zinc/45/19/49/385451949.db2.gz JOYRLMVFYJMWJG-IUCAKERBSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H](O)CN1CCc2ccccc2[C@@H]1CO ZINC000194953515 385453588 /nfs/dbraw/zinc/45/35/88/385453588.db2.gz UBVWFBTXGJPSGJ-GWCFXTLKSA-N 0 3 221.300 0.959 20 0 BCADHN C=Cn1cc(CNCCCn2ccnn2)cn1 ZINC000194355245 385432072 /nfs/dbraw/zinc/43/20/72/385432072.db2.gz WBFCRBIOHLNKDR-UHFFFAOYSA-N 0 3 232.291 0.755 20 0 BCADHN C[C@@H]1C[C@H]1CN[C@@H](CO)c1cnn(C)c1 ZINC000309142933 385434440 /nfs/dbraw/zinc/43/44/40/385434440.db2.gz UEXFSPUBWKOVDP-YWVKMMECSA-N 0 3 209.293 0.699 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)Nc2cc[nH]n2)C1 ZINC000167425294 385437386 /nfs/dbraw/zinc/43/73/86/385437386.db2.gz XWIRPNUVLSILPN-JGVFFNPUSA-N 0 3 208.265 0.736 20 0 BCADHN CC[C@H](N[C@@H]1CCN(C)C1=O)[C@H]1CCCO1 ZINC000182331794 385437874 /nfs/dbraw/zinc/43/78/74/385437874.db2.gz QHZPJQNWJZFDTJ-HBNTYKKESA-N 0 3 226.320 0.764 20 0 BCADHN CN(C)CCNC(=O)c1cnc2[nH]ccc2c1 ZINC000449050527 385467714 /nfs/dbraw/zinc/46/77/14/385467714.db2.gz PDNBGWILIULMSC-UHFFFAOYSA-N 0 3 232.287 0.806 20 0 BCADHN CCN(CCNC(=O)C1=COCCO1)C1CC1 ZINC000171141523 385469122 /nfs/dbraw/zinc/46/91/22/385469122.db2.gz XYJXOTBWYBKFKT-UHFFFAOYSA-N 0 3 240.303 0.475 20 0 BCADHN CC(C)n1cc(CN2CC[C@H](C(N)=O)C2)cn1 ZINC000179500100 385470107 /nfs/dbraw/zinc/47/01/07/385470107.db2.gz YHDNQCWWNVENTG-NSHDSACASA-N 0 3 236.319 0.771 20 0 BCADHN CN(C(=O)c1cn(C)cn1)[C@@H]1CCCN(C)C1 ZINC000179557465 385474544 /nfs/dbraw/zinc/47/45/44/385474544.db2.gz ONPZSKUYZLIKTR-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN CN(C)CC(=O)NCc1cccc(CN(C)C)c1 ZINC000171371822 385478488 /nfs/dbraw/zinc/47/84/88/385478488.db2.gz CXUQBYBSPJIVKP-UHFFFAOYSA-N 0 3 249.358 0.926 20 0 BCADHN COC(CN1C[C@@H](O)C2(CC2)C1)OC ZINC000364604442 385480450 /nfs/dbraw/zinc/48/04/50/385480450.db2.gz URBLKTOIFUUYNC-MRVPVSSYSA-N 0 3 201.266 0.062 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@@H]21)[C@@H](C)O ZINC000642978004 385482667 /nfs/dbraw/zinc/48/26/67/385482667.db2.gz ROCWAFJTZMQMSZ-WYUUTHIRSA-N 0 3 240.347 0.556 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@@H]21)[C@H](C)O ZINC000642978001 385483714 /nfs/dbraw/zinc/48/37/14/385483714.db2.gz ROCWAFJTZMQMSZ-USZNOCQGSA-N 0 3 240.347 0.556 20 0 BCADHN CC[C@@H](C(=O)NCCOCCO)N(CC)CC ZINC000448360330 385459173 /nfs/dbraw/zinc/45/91/73/385459173.db2.gz BGEMXSVMNVUQMG-NSHDSACASA-N 0 3 246.351 0.232 20 0 BCADHN C[C@H](CNC(=O)c1cn(C)cn1)N(C)C1CC1 ZINC000179318125 385459631 /nfs/dbraw/zinc/45/96/31/385459631.db2.gz QDTXENQIHFANAS-SECBINFHSA-N 0 3 236.319 0.633 20 0 BCADHN C[C@H](N)C(=O)NC[C@H](C)N(C)c1ccccc1 ZINC000195157122 385461478 /nfs/dbraw/zinc/46/14/78/385461478.db2.gz VUCLCHVLPXXGBL-QWRGUYRKSA-N 0 3 235.331 0.975 20 0 BCADHN c1ncc(CN2CCC[C@H](C3OCCO3)C2)[nH]1 ZINC000179370004 385463610 /nfs/dbraw/zinc/46/36/10/385463610.db2.gz LGBSTOBIMDVMKA-JTQLQIEISA-N 0 3 237.303 0.995 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N1CCOCC1 ZINC000257682305 385492587 /nfs/dbraw/zinc/49/25/87/385492587.db2.gz JSMHMAYOYNBENB-JTQLQIEISA-N 0 3 214.309 0.609 20 0 BCADHN C[C@@H](N)C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000157271032 385494933 /nfs/dbraw/zinc/49/49/33/385494933.db2.gz MCLYKUBYKRUNHX-RXMQYKEDSA-N 0 3 239.300 0.948 20 0 BCADHN C[C@H]1CCCN1C(=O)[C@]1(F)CCNC1 ZINC000157338901 385497380 /nfs/dbraw/zinc/49/73/80/385497380.db2.gz OZGGMDNKNCXHKO-WPRPVWTQSA-N 0 3 200.257 0.699 20 0 BCADHN CCOCCN1CCN(C[C@H](O)CC)CC1 ZINC000106386513 385507300 /nfs/dbraw/zinc/50/73/00/385507300.db2.gz NXTAKSBTZSWFHK-GFCCVEGCSA-N 0 3 230.352 0.411 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cocn2)C1 ZINC000644811206 385511496 /nfs/dbraw/zinc/51/14/96/385511496.db2.gz AQNFQDHELYMYHU-WPRPVWTQSA-N 0 3 221.260 0.451 20 0 BCADHN Cc1[nH]nc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1C ZINC000644811413 385513246 /nfs/dbraw/zinc/51/32/46/385513246.db2.gz AMZKEVYRAFCZLT-WDEREUQCSA-N 0 3 248.330 0.803 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1nnc2ccccn21 ZINC000157650466 385514126 /nfs/dbraw/zinc/51/41/26/385514126.db2.gz DYDHAITYGFNQGR-VIFPVBQESA-N 0 3 233.275 0.651 20 0 BCADHN Cc1cnc(CCN(C)CCO)s1 ZINC000157700713 385516675 /nfs/dbraw/zinc/51/66/75/385516675.db2.gz CZGIFBWGTZHXCU-UHFFFAOYSA-N 0 3 200.307 0.918 20 0 BCADHN COC[C@@H](C)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364783838 385517117 /nfs/dbraw/zinc/51/71/17/385517117.db2.gz HWGADMBQUNNWNN-MWLCHTKSSA-N 0 3 228.292 0.596 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCC[C@H](N(C)C)C1 ZINC000109811358 385489383 /nfs/dbraw/zinc/48/93/83/385489383.db2.gz YFVHXXLYFQRJTB-PWSUYJOCSA-N 0 3 239.363 0.680 20 0 BCADHN C[C@@H](NCCN1CCNC1=O)c1cnn(C)c1 ZINC000336724204 385489967 /nfs/dbraw/zinc/48/99/67/385489967.db2.gz ZHNYNBAKASZSDU-SECBINFHSA-N 0 3 237.307 0.096 20 0 BCADHN COC[C@H](C)CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644143311 385530288 /nfs/dbraw/zinc/53/02/88/385530288.db2.gz IWJLKGYFPTVTBC-UTLUCORTSA-N 0 3 232.299 0.475 20 0 BCADHN CC[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)O1 ZINC000644143647 385530325 /nfs/dbraw/zinc/53/03/25/385530325.db2.gz YYVNPJJBCJJMCS-UKKRHICBSA-N 0 3 244.310 0.760 20 0 BCADHN CC(C)(C)[C@@H](NC[C@@H](O)C(C)(C)C)C(N)=O ZINC000309324298 385530887 /nfs/dbraw/zinc/53/08/87/385530887.db2.gz GAIRDLOVPHXHTL-BDAKNGLRSA-N 0 3 230.352 0.883 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)C1CC(F)(F)C1 ZINC000644143194 385531634 /nfs/dbraw/zinc/53/16/34/385531634.db2.gz CBZOIOVIHFLOBZ-YUMQZZPRSA-N 0 3 236.237 0.848 20 0 BCADHN CCn1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cn1 ZINC000644812711 385534762 /nfs/dbraw/zinc/53/47/62/385534762.db2.gz FGYWJKKTKRKWJH-PWSUYJOCSA-N 0 3 248.330 0.679 20 0 BCADHN C[C@@H](O)[C@H]1CCCCN1CC(=O)NC1CC1 ZINC000106865999 385536324 /nfs/dbraw/zinc/53/63/24/385536324.db2.gz NWJWRGHOYZHCOT-MWLCHTKSSA-N 0 3 226.320 0.500 20 0 BCADHN CC[C@@](C)(CNC[C@@H]1CCCS1(=O)=O)OC ZINC000318974365 385536536 /nfs/dbraw/zinc/53/65/36/385536536.db2.gz FFZQNLZJFAIJOO-QWRGUYRKSA-N 0 3 249.376 0.968 20 0 BCADHN Cc1n[nH]cc1C1CCN(CCO)CC1 ZINC000367446382 385539492 /nfs/dbraw/zinc/53/94/92/385539492.db2.gz DQSRDOZTKLQVPH-UHFFFAOYSA-N 0 3 209.293 0.890 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000157979421 385540792 /nfs/dbraw/zinc/54/07/92/385540792.db2.gz WJKZWHAEYKBMEE-VHSXEESVSA-N 0 3 234.303 0.124 20 0 BCADHN C[C@@H](CO)N1CCCN(C(=O)CC2CC2)CC1 ZINC000364932912 385541953 /nfs/dbraw/zinc/54/19/53/385541953.db2.gz FZIGYTODCLKBBU-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCCCO2)C1 ZINC000644813408 385541991 /nfs/dbraw/zinc/54/19/91/385541991.db2.gz GQDWUAQIFIAKBX-SRVKXCTJSA-N 0 3 238.331 0.718 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)[C@@H]2C1 ZINC000644813413 385542204 /nfs/dbraw/zinc/54/22/04/385542204.db2.gz GQDWUAQIFIAKBX-TUAOUCFPSA-N 0 3 238.331 0.718 20 0 BCADHN CSCCN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000364956116 385547316 /nfs/dbraw/zinc/54/73/16/385547316.db2.gz RUSFIWKIEQATGQ-AEJSXWLSSA-N 0 3 228.361 0.935 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1c1ncnc(N)c1Cl ZINC000643023163 385519297 /nfs/dbraw/zinc/51/92/97/385519297.db2.gz ZMIRGMKXWHRXHO-NKWVEPMBSA-N 0 3 241.726 0.899 20 0 BCADHN C[C@@H]1C[C@H](C)N(C(=O)CN2CCNCC2)C1 ZINC000157789587 385521558 /nfs/dbraw/zinc/52/15/58/385521558.db2.gz ZKZGGHCUBPKPCJ-MNOVXSKESA-N 0 3 225.336 0.149 20 0 BCADHN C[C@H]1C[C@H](C)N(C(=O)CN2CCNCC2)C1 ZINC000157789714 385521585 /nfs/dbraw/zinc/52/15/85/385521585.db2.gz ZKZGGHCUBPKPCJ-QWRGUYRKSA-N 0 3 225.336 0.149 20 0 BCADHN C[C@H](OCC1CC1)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644141901 385524191 /nfs/dbraw/zinc/52/41/91/385524191.db2.gz KXWIZKKERBMAFB-LSJOCFKGSA-N 0 3 244.310 0.618 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@H](C(N)=O)C1 ZINC000408064166 385525440 /nfs/dbraw/zinc/52/54/40/385525440.db2.gz UOLKYSNCLQDDPC-QMMMGPOBSA-N 0 3 208.265 0.025 20 0 BCADHN CCN(C[C@@](C)(O)C(=O)OC)[C@@H]1CCOC1 ZINC000309307327 385525542 /nfs/dbraw/zinc/52/55/42/385525542.db2.gz DMGXFJSNJXHRTK-MWLCHTKSSA-N 0 3 231.292 0.021 20 0 BCADHN [NH3+][C@H]1CCC[C@@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000643030420 385525809 /nfs/dbraw/zinc/52/58/09/385525809.db2.gz SBBNFHYSMYFKQG-JGVFFNPUSA-N 0 3 232.291 0.408 20 0 BCADHN O=C(Cc1cncs1)NC[C@@H]1C[C@H](F)CN1 ZINC000644142418 385526529 /nfs/dbraw/zinc/52/65/29/385526529.db2.gz SFDJSAXPGAHVDO-YUMQZZPRSA-N 0 3 243.307 0.502 20 0 BCADHN O=C(C[C@H]1CCCO1)NC[C@@H]1C[C@H](F)CN1 ZINC000644142340 385526787 /nfs/dbraw/zinc/52/67/87/385526787.db2.gz NMKPVFXQNWFIFV-LPEHRKFASA-N 0 3 230.283 0.372 20 0 BCADHN O=C(C[C@@H]1CCCO1)NC[C@@H]1C[C@H](F)CN1 ZINC000644142339 385526986 /nfs/dbraw/zinc/52/69/86/385526986.db2.gz NMKPVFXQNWFIFV-GUBZILKMSA-N 0 3 230.283 0.372 20 0 BCADHN OCCCCN1CCC[C@H](OCCO)C1 ZINC000172301647 385527660 /nfs/dbraw/zinc/52/76/60/385527660.db2.gz VLBKDCFAVYNSTA-NSHDSACASA-N 0 3 217.309 0.232 20 0 BCADHN CC(C)CCCN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000364852940 385528750 /nfs/dbraw/zinc/52/87/50/385528750.db2.gz JGBYEUUIRZRBEE-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000644152414 385549870 /nfs/dbraw/zinc/54/98/70/385549870.db2.gz IJAYUWAMOQYTNW-GARJFASQSA-N 0 3 242.319 0.034 20 0 BCADHN C[C@@H](C[S@@](C)=O)NC(=O)[C@@H]1CCN(C)[C@@H]1C ZINC000592787294 385577716 /nfs/dbraw/zinc/57/77/16/385577716.db2.gz LMJFFUWAMYVDLP-HVFXKWQYSA-N 0 3 246.376 0.210 20 0 BCADHN C[C@@H]1[C@@H](NCc2nccn2C)CCCN1C ZINC000309383770 385556374 /nfs/dbraw/zinc/55/63/74/385556374.db2.gz DSHTXFANNCNVIO-MNOVXSKESA-N 0 3 222.336 0.992 20 0 BCADHN C[C@H]1[C@@H](NCc2nccn2C)CCCN1C ZINC000309383773 385556511 /nfs/dbraw/zinc/55/65/11/385556511.db2.gz DSHTXFANNCNVIO-QWRGUYRKSA-N 0 3 222.336 0.992 20 0 BCADHN CN1CCC(C(=O)N2CCSCC2)CC1 ZINC000334490513 385559051 /nfs/dbraw/zinc/55/90/51/385559051.db2.gz KNQLKEDBIXSLAQ-UHFFFAOYSA-N 0 3 228.361 0.904 20 0 BCADHN Cc1[nH]c2ncnc(N3CCNCC3)c2c1C ZINC000647703884 385576725 /nfs/dbraw/zinc/57/67/25/385576725.db2.gz LWABGEDSNBVNDW-UHFFFAOYSA-N 0 3 231.303 0.984 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)CC2CC2)C1 ZINC000644815114 385563192 /nfs/dbraw/zinc/56/31/92/385563192.db2.gz OODOCHHFGCSNNF-QWRGUYRKSA-N 0 3 208.305 0.949 20 0 BCADHN C[C@H](C(=O)N1CC[C@H]2CN(C)C[C@@H]21)n1cccn1 ZINC000644815623 385570313 /nfs/dbraw/zinc/57/03/13/385570313.db2.gz RACSGSLKURUJHV-WOPDTQHZSA-N 0 3 248.330 0.607 20 0 BCADHN CC(=O)NCCCN[C@H](C)c1cnccn1 ZINC000309405718 385572509 /nfs/dbraw/zinc/57/25/09/385572509.db2.gz HYOHBFXRCPQNDQ-SECBINFHSA-N 0 3 222.292 0.653 20 0 BCADHN CN[C@@H](C)C(=O)NCc1nc(C)cs1 ZINC000054075686 385594873 /nfs/dbraw/zinc/59/48/73/385594873.db2.gz FKKQQWUEXWQFTC-ZETCQYMHSA-N 0 3 213.306 0.676 20 0 BCADHN CN[C@@H](C)C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000054076839 385595401 /nfs/dbraw/zinc/59/54/01/385595401.db2.gz JOYRLMVFYJMWJG-BDAKNGLRSA-N 0 3 214.309 0.620 20 0 BCADHN CCC1(C(=O)NC[C@](C)(O)CN(C)C)CC1 ZINC000336649426 385598283 /nfs/dbraw/zinc/59/82/83/385598283.db2.gz GXYAWJYNSCHQKN-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CCC[C@H](C)N1CC[C@H](S(N)(=O)=O)C1 ZINC000337326468 385599262 /nfs/dbraw/zinc/59/92/62/385599262.db2.gz WDQNGDFFFHOCIY-IUCAKERBSA-N 0 3 220.338 0.538 20 0 BCADHN CCc1ccc(CNC[C@@H](O)COC)cn1 ZINC000336675957 385599530 /nfs/dbraw/zinc/59/95/30/385599530.db2.gz BEGFDVXLBGQLEO-GFCCVEGCSA-N 0 3 224.304 0.741 20 0 BCADHN C[C@H](NC[C@@H](O)C(F)F)[C@H]1CCCO1 ZINC000336675997 385599804 /nfs/dbraw/zinc/59/98/04/385599804.db2.gz BZJHABYVHYGVQS-XLPZGREQSA-N 0 3 209.236 0.770 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CCN(C)C2)nc(C)n1 ZINC000408196938 385602783 /nfs/dbraw/zinc/60/27/83/385602783.db2.gz GEAJFGUJYUBBSH-NSHDSACASA-N 0 3 248.330 0.775 20 0 BCADHN COC(=O)[C@@H](C)N(C)Cc1cn[nH]c1C ZINC000280784115 385602984 /nfs/dbraw/zinc/60/29/84/385602984.db2.gz HARCBCAKDFAGLF-MRVPVSSYSA-N 0 3 211.265 0.711 20 0 BCADHN CC[C@H](C)[C@H](C)C(=O)N[C@H](CO)CN(C)C ZINC000647710891 385603610 /nfs/dbraw/zinc/60/36/10/385603610.db2.gz TZWIBVCUZORGIT-DCAQKATOSA-N 0 3 230.352 0.707 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccc(C(N)=O)o1 ZINC000269529867 385604934 /nfs/dbraw/zinc/60/49/34/385604934.db2.gz GTJJTIJYDDOWKJ-UHFFFAOYSA-N 0 3 239.275 0.012 20 0 BCADHN COC(=O)[C@H](C)N(C)Cc1cn[nH]c1C ZINC000280784118 385605408 /nfs/dbraw/zinc/60/54/08/385605408.db2.gz HARCBCAKDFAGLF-QMMMGPOBSA-N 0 3 211.265 0.711 20 0 BCADHN CNC(=O)CNC1CC(c2ccccn2)C1 ZINC000309441417 385582454 /nfs/dbraw/zinc/58/24/54/385582454.db2.gz IQANNUZMKPQCIH-UHFFFAOYSA-N 0 3 219.288 0.663 20 0 BCADHN CCS(=O)(=O)CCCN[C@H](C)c1cn[nH]c1 ZINC000309440558 385582906 /nfs/dbraw/zinc/58/29/06/385582906.db2.gz IKQCBWDTAFKZBF-SECBINFHSA-N 0 3 245.348 0.885 20 0 BCADHN C[C@]1(CO)CCC[C@H]1NCC(=O)NC1CC1 ZINC000309450450 385585105 /nfs/dbraw/zinc/58/51/05/385585105.db2.gz MJKWKMXKHPMKPY-ZYHUDNBSSA-N 0 3 226.320 0.406 20 0 BCADHN C[C@H](NCCn1cncn1)c1ccnn1C ZINC000309450592 385585138 /nfs/dbraw/zinc/58/51/38/385585138.db2.gz MLRFDJIDJVXYEC-VIFPVBQESA-N 0 3 220.280 0.362 20 0 BCADHN CCOC[C@@H](O)CN[C@@H](C)c1ccnn1C ZINC000309495753 385615685 /nfs/dbraw/zinc/61/56/85/385615685.db2.gz ZBAORLIEILJUJO-UWVGGRQHSA-N 0 3 227.308 0.468 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC[C@H](CO)C1 ZINC000408198577 385616929 /nfs/dbraw/zinc/61/69/29/385616929.db2.gz NTPBFHBITVNRCQ-WDEREUQCSA-N 0 3 215.293 0.031 20 0 BCADHN COC[C@H](CO)N[C@@H](C)c1cccc(CO)c1 ZINC000280949076 385619821 /nfs/dbraw/zinc/61/98/21/385619821.db2.gz JNIYILGBGZSVEY-GWCFXTLKSA-N 0 3 239.315 0.837 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cnn(C)c3)[C@@H]2C1 ZINC000644820969 385621140 /nfs/dbraw/zinc/62/11/40/385621140.db2.gz YWPKERRHJCKCDJ-MWLCHTKSSA-N 0 3 234.303 0.196 20 0 BCADHN 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ZINC000309525589 385666754 /nfs/dbraw/zinc/66/67/54/385666754.db2.gz BEGFDVXLBGQLEO-LBPRGKRZSA-N 0 3 224.304 0.741 20 0 BCADHN COCCCCC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644824798 385666851 /nfs/dbraw/zinc/66/68/51/385666851.db2.gz ZWYNRDJAJRGDOE-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1ccsc1S(=O)(=O)NC1CNC1 ZINC000307206419 385666950 /nfs/dbraw/zinc/66/69/50/385666950.db2.gz KYZYECUSDLISIE-UHFFFAOYSA-N 0 3 232.330 0.307 20 0 BCADHN CC(C)[C@@H](O)CN1CCN2CCOC[C@H]2C1 ZINC000366598407 385668739 /nfs/dbraw/zinc/66/87/39/385668739.db2.gz ZYRHTOMGJMHHDF-NEPJUHHUSA-N 0 3 228.336 0.020 20 0 BCADHN CN(C)CCNC(=O)c1cn2ccnc2s1 ZINC000188212197 385668945 /nfs/dbraw/zinc/66/89/45/385668945.db2.gz BDDJJKNGASIDOQ-UHFFFAOYSA-N 0 3 238.316 0.687 20 0 BCADHN CC(C)[C@H](O)CN1CCN2CCOC[C@H]2C1 ZINC000366598410 385669097 /nfs/dbraw/zinc/66/90/97/385669097.db2.gz ZYRHTOMGJMHHDF-VXGBXAGGSA-N 0 3 228.336 0.020 20 0 BCADHN CCN1CCN(CCn2ccnc2C)CC1 ZINC000270668638 385727805 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MWQCNDNEYPCEAR-CLAHSXSESA-N 0 3 215.322 0.575 20 0 BCADHN COC[C@](C)(CCO)NCCOC1CCC1 ZINC000309618524 385749909 /nfs/dbraw/zinc/74/99/09/385749909.db2.gz DMDUYJLDQPCBJR-LBPRGKRZSA-N 0 3 231.336 0.933 20 0 BCADHN CC[C@H](COC)N[C@H]1CCCN(C)C1=O ZINC000336736768 385750674 /nfs/dbraw/zinc/75/06/74/385750674.db2.gz PQLMHKWDLZWRLC-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CCCCNC(=O)CNC(C)(C)CC(N)=O ZINC000186255828 385751590 /nfs/dbraw/zinc/75/15/90/385751590.db2.gz ZFFQDMJPWUUBSX-UHFFFAOYSA-N 0 3 229.324 0.146 20 0 BCADHN COCC[C@H](CO)NCc1cnn(C(C)C)c1 ZINC000282313403 385751894 /nfs/dbraw/zinc/75/18/94/385751894.db2.gz SMUCHJZHLGQPNH-GFCCVEGCSA-N 0 3 241.335 0.951 20 0 BCADHN CC[C@@H](COC)NC[C@@H]1CCCCS1(=O)=O ZINC000309626744 385754220 /nfs/dbraw/zinc/75/42/20/385754220.db2.gz GBCMFCQPTFVRIT-QWRGUYRKSA-N 0 3 249.376 0.968 20 0 BCADHN Cc1cnc(CNC[C@H]2CCC[C@@H]2O)n1C ZINC000336736900 385755235 /nfs/dbraw/zinc/75/52/35/385755235.db2.gz NDMGJNKCYHOAII-MNOVXSKESA-N 0 3 223.320 0.979 20 0 BCADHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(N)=O ZINC000186315693 385755779 /nfs/dbraw/zinc/75/57/79/385755779.db2.gz PIWQAMHNIBHUKR-UWVGGRQHSA-N 0 3 214.309 0.655 20 0 BCADHN Cc1nccn1CCN[C@@H]1C(=O)NCC[C@H]1C ZINC000282401724 385758201 /nfs/dbraw/zinc/75/82/01/385758201.db2.gz PRVNEAGHKDIKRD-KOLCDFICSA-N 0 3 236.319 0.306 20 0 BCADHN CC[C@H](NC[C@@]1(O)CCOC1)c1nccn1C ZINC000183391308 385758323 /nfs/dbraw/zinc/75/83/23/385758323.db2.gz VJXIMHQGIJEZDY-JQWIXIFHSA-N 0 3 239.319 0.612 20 0 BCADHN CCOCC[C@@H](O)CN[C@](C)(CC)C(N)=O ZINC000309630410 385759141 /nfs/dbraw/zinc/75/91/41/385759141.db2.gz HPQXXMJPXNKOTJ-MWLCHTKSSA-N 0 3 232.324 0.018 20 0 BCADHN CS[C@@H]1CN(c2ncccn2)C[C@H]1N(C)C ZINC000270923918 385760175 /nfs/dbraw/zinc/76/01/75/385760175.db2.gz BHKGNUBOTMIBOK-NXEZZACHSA-N 0 3 238.360 0.958 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H]1CCO ZINC000336700433 385761051 /nfs/dbraw/zinc/76/10/51/385761051.db2.gz PIGNMDKWPCALTR-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN Cn1nccc1CCN1CCCC[C@@H]1CO ZINC000230886447 385762492 /nfs/dbraw/zinc/76/24/92/385762492.db2.gz CQQOOHFJJHJESE-GFCCVEGCSA-N 0 3 223.320 0.809 20 0 BCADHN C[C@@H](N[C@H]1CCC(=O)NC1)c1cn[nH]c1 ZINC000336701371 385764221 /nfs/dbraw/zinc/76/42/21/385764221.db2.gz PRARDFSTECBAJB-APPZFPTMSA-N 0 3 208.265 0.339 20 0 BCADHN C[C@@H](CNc1nccn(C)c1=O)N(C)C1CC1 ZINC000230903133 385764609 /nfs/dbraw/zinc/76/46/09/385764609.db2.gz PTELHKWNEIFQLT-VIFPVBQESA-N 0 3 236.319 0.675 20 0 BCADHN C[C@H](CNc1nccn(C)c1=O)N(C)C1CC1 ZINC000230903136 385765570 /nfs/dbraw/zinc/76/55/70/385765570.db2.gz PTELHKWNEIFQLT-SECBINFHSA-N 0 3 236.319 0.675 20 0 BCADHN CC(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000337736697 385767132 /nfs/dbraw/zinc/76/71/32/385767132.db2.gz PYIXTDPTXNXCJC-UHFFFAOYSA-N 0 3 241.379 0.785 20 0 BCADHN Cc1cc(CN(C)CCO)ccc1-n1cncn1 ZINC000270999618 385770798 /nfs/dbraw/zinc/77/07/98/385770798.db2.gz KQHSOTQBDVZDGL-UHFFFAOYSA-N 0 3 246.314 1.000 20 0 BCADHN CCN1CC[C@H](NCc2ncc(C)n2C)C1 ZINC000414558444 385771656 /nfs/dbraw/zinc/77/16/56/385771656.db2.gz YZRUEQWZNFVINA-NSHDSACASA-N 0 3 222.336 0.912 20 0 BCADHN COC[C@H](O)CNCc1cccc2nccn21 ZINC000282615910 385774919 /nfs/dbraw/zinc/77/49/19/385774919.db2.gz JEFFMARAOQSIAW-LLVKDONJSA-N 0 3 235.287 0.431 20 0 BCADHN C[C@H](O)CCN(C)Cc1ccnc(N)c1 ZINC000186627034 385775660 /nfs/dbraw/zinc/77/56/60/385775660.db2.gz GUYTWODIRZDNBT-VIFPVBQESA-N 0 3 209.293 0.867 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)ncn2C ZINC000258676255 385776556 /nfs/dbraw/zinc/77/65/56/385776556.db2.gz CQSYLLSJJICXPQ-ZETCQYMHSA-N 0 3 218.260 0.859 20 0 BCADHN CC[C@H]1CN(C(=O)/C=C/CN(C)C)C[C@@H]1O ZINC000270572524 385719825 /nfs/dbraw/zinc/71/98/25/385719825.db2.gz PJYNNDWIVLCVHW-PZIAFJOJSA-N 0 3 226.320 0.334 20 0 BCADHN CCN(CCOCCO)Cc1cnc[nH]1 ZINC000281983758 385722674 /nfs/dbraw/zinc/72/26/74/385722674.db2.gz HUYNEPVYGMKFKS-UHFFFAOYSA-N 0 3 213.281 0.241 20 0 BCADHN CC(C)c1nc([C@H](C)NC(=O)CN(C)C)n[nH]1 ZINC000270599118 385723318 /nfs/dbraw/zinc/72/33/18/385723318.db2.gz CTTQPKGWVKYNDE-QMMMGPOBSA-N 0 3 239.323 0.667 20 0 BCADHN CC(C)[C@H](CO)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000309597618 385725125 /nfs/dbraw/zinc/72/51/25/385725125.db2.gz IZQIYTTWCSWEGZ-WDEREUQCSA-N 0 3 249.376 0.418 20 0 BCADHN CN(CC1CCS(=O)(=O)CC1)C1CC(O)C1 ZINC000408215304 385727097 /nfs/dbraw/zinc/72/70/97/385727097.db2.gz OXMOBCSBNTYZGL-UHFFFAOYSA-N 0 3 247.360 0.266 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@H](C)CC(=O)OCC ZINC000602517338 385799089 /nfs/dbraw/zinc/79/90/89/385799089.db2.gz YVZOOPYXVPVMHG-NXEZZACHSA-N 0 3 244.335 0.690 20 0 BCADHN C[C@@H]1OCC[C@H]1NC(=O)/C=C/CN(C)C ZINC000271190705 385799763 /nfs/dbraw/zinc/79/97/63/385799763.db2.gz VXNASEYHDLYGEU-OCIBVNFRSA-N 0 3 212.293 0.398 20 0 BCADHN Cc1cc(=O)[nH]c(C(=O)NC2CCN(C)CC2)c1 ZINC000408386507 385804236 /nfs/dbraw/zinc/80/42/36/385804236.db2.gz UAFJJRDHVCSFGD-UHFFFAOYSA-N 0 3 249.314 0.920 20 0 BCADHN O=C1NCC[C@@H]1N[C@H]1CCc2ccccc2OC1 ZINC000337835287 385804843 /nfs/dbraw/zinc/80/48/43/385804843.db2.gz XKHHHGOOPHZFAP-RYUDHWBXSA-N 0 3 246.310 0.858 20 0 BCADHN Cn1nccc1CNC[C@]1(C)CCOC1 ZINC000336740314 385807838 /nfs/dbraw/zinc/80/78/38/385807838.db2.gz UGGIDXZQLXBMTP-NSHDSACASA-N 0 3 209.293 0.936 20 0 BCADHN COC[C@@H](O)CCNCc1c(C)nn(C)c1C ZINC000231607812 385808047 /nfs/dbraw/zinc/80/80/47/385808047.db2.gz DQXRMEZKRJHNHE-NSHDSACASA-N 0 3 241.335 0.524 20 0 BCADHN C[C@H](O)CN(CCc1ccnn1C)[C@@H](C)CO ZINC000283092037 385808131 /nfs/dbraw/zinc/80/81/31/385808131.db2.gz LMSXYQOOWPBHSX-QWRGUYRKSA-N 0 3 241.335 0.026 20 0 BCADHN Cc1nc(C(=O)N[C@@H](C)CN(C)C)c(C)o1 ZINC000294122425 385809590 /nfs/dbraw/zinc/80/95/90/385809590.db2.gz TXPYPOXGHOXLIZ-ZETCQYMHSA-N 0 3 225.292 0.971 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000402104836 385810256 /nfs/dbraw/zinc/81/02/56/385810256.db2.gz UJTUQDQMXSVJGJ-QEYWKRMJSA-N 0 3 214.309 0.653 20 0 BCADHN Cc1ocnc1C(=O)NCC1=CCN(C)CC1 ZINC000271878467 385857101 /nfs/dbraw/zinc/85/71/01/385857101.db2.gz MSFXJERDWOXXDW-UHFFFAOYSA-N 0 3 235.287 0.975 20 0 BCADHN CSC[C@@H](C)NC[C@@H](C)S(C)(=O)=O ZINC000521426434 385815096 /nfs/dbraw/zinc/81/50/96/385815096.db2.gz ALFCZNZCIDJQNX-HTQZYQBOSA-N 0 3 225.379 0.761 20 0 BCADHN CN(c1nccn2cnnc12)[C@@H]1CCCN(C)C1 ZINC000271316669 385816265 /nfs/dbraw/zinc/81/62/65/385816265.db2.gz NSGVINIGCAQZEI-SNVBAGLBSA-N 0 3 246.318 0.655 20 0 BCADHN N[C@H](CC(F)F)C(=O)NCc1ccco1 ZINC000336657024 385816553 /nfs/dbraw/zinc/81/65/53/385816553.db2.gz APLABQFTRAUUDY-SSDOTTSWSA-N 0 3 218.203 0.878 20 0 BCADHN CC[C@H]1CN(Cc2c[nH]nc2C)C[C@@H]1O ZINC000271335805 385818602 /nfs/dbraw/zinc/81/86/02/385818602.db2.gz NROUQUOTGQYUJK-ONGXEEELSA-N 0 3 209.293 0.921 20 0 BCADHN CC[C@H]1CN(Cc2cn(C)nc2C)C[C@H]1O ZINC000271340919 385819319 /nfs/dbraw/zinc/81/93/19/385819319.db2.gz OITACEURGZWRTH-CMPLNLGQSA-N 0 3 223.320 0.931 20 0 BCADHN CC[C@H]1CN(Cc2c[nH]nc2C)C[C@H]1O ZINC000271335798 385819336 /nfs/dbraw/zinc/81/93/36/385819336.db2.gz NROUQUOTGQYUJK-GXSJLCMTSA-N 0 3 209.293 0.921 20 0 BCADHN CN(CCO)[C@@H]1Cc2ccccc2[C@H]1O ZINC000271866418 385857502 /nfs/dbraw/zinc/85/75/02/385857502.db2.gz BGPQYZKWWQHEAB-VXGBXAGGSA-N 0 3 207.273 0.569 20 0 BCADHN CO[C@H](C)CN(C)CCN1CCO[C@H](C)C1 ZINC000353200287 385822952 /nfs/dbraw/zinc/82/29/52/385822952.db2.gz IOSBKQNHZZUGQK-VXGBXAGGSA-N 0 3 230.352 0.674 20 0 BCADHN CCN(C)C(=O)[C@H](C)NCc1ccn(C)c1 ZINC000231846307 385823685 /nfs/dbraw/zinc/82/36/85/385823685.db2.gz UAQZQZIBMUOYNK-JTQLQIEISA-N 0 3 223.320 0.982 20 0 BCADHN CN(C)CCn1nccc1NC(=O)C1CC1 ZINC000294221973 385824635 /nfs/dbraw/zinc/82/46/35/385824635.db2.gz WHAFGRCVCWADHR-UHFFFAOYSA-N 0 3 222.292 0.793 20 0 BCADHN CC[C@H](COC)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000336738036 385827218 /nfs/dbraw/zinc/82/72/18/385827218.db2.gz NZAAMSUXYRYQDF-NXEZZACHSA-N 0 3 249.376 0.967 20 0 BCADHN CCc1nn(C)c(OC)c1CNC[C@H](O)CC ZINC000643369486 385828600 /nfs/dbraw/zinc/82/86/00/385828600.db2.gz XKSBLCMSTLAFRF-SECBINFHSA-N 0 3 241.335 0.852 20 0 BCADHN C[C@@H](N)C(=O)NCCc1cccc(F)c1F ZINC000261849231 385830772 /nfs/dbraw/zinc/83/07/72/385830772.db2.gz OOSKOFHKMBCHJT-SSDOTTSWSA-N 0 3 228.242 0.971 20 0 BCADHN C[C@H](N[C@H]1CCC[C@]1(C)CO)C(=O)NC1CC1 ZINC000331684033 385838923 /nfs/dbraw/zinc/83/89/23/385838923.db2.gz UETAZNLMTMTCKU-XHVZSJERSA-N 0 3 240.347 0.794 20 0 BCADHN CO[C@@H](CNC(=O)/C=C/CN(C)C)C1CC1 ZINC000294361994 385841663 /nfs/dbraw/zinc/84/16/63/385841663.db2.gz CFNWGCIZJJIHQR-ZWNMCFTASA-N 0 3 226.320 0.645 20 0 BCADHN CCCCN(C)CCNS(=O)(=O)N(C)C ZINC000112364086 385842203 /nfs/dbraw/zinc/84/22/03/385842203.db2.gz KCUGJTDRWATGOI-UHFFFAOYSA-N 0 3 237.369 0.114 20 0 BCADHN Cc1cn[nH]c1CN[C@@H](C)CN1CCCC1=O ZINC000283978515 385843038 /nfs/dbraw/zinc/84/30/38/385843038.db2.gz JMIIPKHUTHTMNB-JTQLQIEISA-N 0 3 236.319 0.819 20 0 BCADHN COC(=O)[C@@H]1CCCN(C[C@@H](C)O)C1 ZINC000228482220 385843923 /nfs/dbraw/zinc/84/39/23/385843923.db2.gz VEHDBBQGOHZSLA-RKDXNWHRSA-N 0 3 201.266 0.252 20 0 BCADHN O=C1CCCN1C[C@@H](NCCO)c1ccccc1 ZINC000271658546 385843993 /nfs/dbraw/zinc/84/39/93/385843993.db2.gz GFSVALDLLHTAJD-CYBMUJFWSA-N 0 3 248.326 0.932 20 0 BCADHN Cc1cn[nH]c1CN[C@H](C)CN1CCCC1=O ZINC000283978520 385844084 /nfs/dbraw/zinc/84/40/84/385844084.db2.gz JMIIPKHUTHTMNB-SNVBAGLBSA-N 0 3 236.319 0.819 20 0 BCADHN CN(CCc1ccnn1C)Cc1cnn(C)c1 ZINC000283980310 385844990 /nfs/dbraw/zinc/84/49/90/385844990.db2.gz MQZGGAMCNHGODK-UHFFFAOYSA-N 0 3 233.319 0.828 20 0 BCADHN Cn1ncc(C(=O)NC[C@@H]2CCN(C3CC3)C2)n1 ZINC000284057529 385847034 /nfs/dbraw/zinc/84/70/34/385847034.db2.gz PWJRNYLSPXICOZ-VIFPVBQESA-N 0 3 249.318 0.029 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(C(N)=O)ccc1C ZINC000262454295 385847557 /nfs/dbraw/zinc/84/75/57/385847557.db2.gz SSMFGVLRRDSQAR-VIFPVBQESA-N 0 3 235.287 0.770 20 0 BCADHN CCN(C)CCNC(=O)C=Cc1c[nH]cn1 ZINC000284032455 385847901 /nfs/dbraw/zinc/84/79/01/385847901.db2.gz PIOVQCSJMNDQKS-SNAWJCMRSA-N 0 3 222.292 0.491 20 0 BCADHN Cc1nc(C(=O)NC[C@@H]2CCCN2C)no1 ZINC000122972201 385848122 /nfs/dbraw/zinc/84/81/22/385848122.db2.gz UHOFIQKTHOFWMV-QMMMGPOBSA-N 0 3 224.264 0.202 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000307828668 385850599 /nfs/dbraw/zinc/85/05/99/385850599.db2.gz DSKCJCDPMCHEKM-MNOVXSKESA-N 0 3 228.336 0.855 20 0 BCADHN CN1CC=C(CNC(=O)[C@H]2CCOC2)CC1 ZINC000271801030 385850912 /nfs/dbraw/zinc/85/09/12/385850912.db2.gz DJDBHOIZSCSMNG-NSHDSACASA-N 0 3 224.304 0.401 20 0 BCADHN Cc1cc(C(=O)NCC2=CCN(C)CC2)no1 ZINC000271796081 385851350 /nfs/dbraw/zinc/85/13/50/385851350.db2.gz CYYPIYNMTZFUCS-UHFFFAOYSA-N 0 3 235.287 0.975 20 0 BCADHN CN(CCNC(=O)c1cc2n(n1)CCC2)C1CC1 ZINC000294443868 385851493 /nfs/dbraw/zinc/85/14/93/385851493.db2.gz HCBWLUARWMLGCK-UHFFFAOYSA-N 0 3 248.330 0.653 20 0 BCADHN CN1CC=C(CNC(=O)CCn2cccn2)CC1 ZINC000271812591 385852580 /nfs/dbraw/zinc/85/25/80/385852580.db2.gz FMHRNQNLCOENGM-UHFFFAOYSA-N 0 3 248.330 0.651 20 0 BCADHN Cn1nccc1C(=O)NCC1=CCN(C)CC1 ZINC000271824979 385852881 /nfs/dbraw/zinc/85/28/81/385852881.db2.gz GPLMSGDWGYWBPQ-UHFFFAOYSA-N 0 3 234.303 0.412 20 0 BCADHN Cc1cc(CC(=O)NCC2=CCN(C)CC2)n[nH]1 ZINC000271853546 385855098 /nfs/dbraw/zinc/85/50/98/385855098.db2.gz JMDCSYJFLWZSCS-UHFFFAOYSA-N 0 3 248.330 0.639 20 0 BCADHN Cc1cc(CC(=O)NCC2=CCN(C)CC2)[nH]n1 ZINC000271853546 385855105 /nfs/dbraw/zinc/85/51/05/385855105.db2.gz JMDCSYJFLWZSCS-UHFFFAOYSA-N 0 3 248.330 0.639 20 0 BCADHN CC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000307711442 385790757 /nfs/dbraw/zinc/79/07/57/385790757.db2.gz UCPFJRNEPNBLMB-SECBINFHSA-N 0 3 202.323 0.560 20 0 BCADHN COCC[C@@](C)(O)CN[C@@H](C)c1cn[nH]c1 ZINC000284182791 385856082 /nfs/dbraw/zinc/85/60/82/385856082.db2.gz RCXDIZUQORRPDZ-GXSJLCMTSA-N 0 3 227.308 0.848 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@H](N)CCC(C)C ZINC000602453967 385793224 /nfs/dbraw/zinc/79/32/24/385793224.db2.gz LWVOQTBTKQAEPQ-NXEZZACHSA-N 0 3 244.335 0.675 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2ccccn2)[C@H]1C ZINC000071521332 385794084 /nfs/dbraw/zinc/79/40/84/385794084.db2.gz KEWNVJZJHACYAB-UWVGGRQHSA-N 0 3 219.288 0.904 20 0 BCADHN Cc1nnc(N2CCN(C)[C@H](C(C)C)C2)n1C ZINC000337817943 385794282 /nfs/dbraw/zinc/79/42/82/385794282.db2.gz POJBPYOQZIXQKF-NSHDSACASA-N 0 3 237.351 0.900 20 0 BCADHN CCN(CC)CC(=O)N1CC(CCOC)C1 ZINC000644763297 385796165 /nfs/dbraw/zinc/79/61/65/385796165.db2.gz IVMLGPNRILFJQA-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN CC1(C)CNCCN1C(=O)c1n[nH]c2c1CCC2 ZINC000647840665 385890061 /nfs/dbraw/zinc/89/00/61/385890061.db2.gz SIRBZSWAUXXXKJ-UHFFFAOYSA-N 0 3 248.330 0.722 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H]1COC)N(C)C ZINC000413817263 385891456 /nfs/dbraw/zinc/89/14/56/385891456.db2.gz LKFVJVLKMSVGCI-NXEZZACHSA-N 0 3 214.309 0.574 20 0 BCADHN COC(=O)c1cc(CN[C@H]2C[C@@H](O)C2)c[nH]1 ZINC000294750463 385891770 /nfs/dbraw/zinc/89/17/70/385891770.db2.gz DCZHQTCVWNUTKC-DTORHVGOSA-N 0 3 224.260 0.414 20 0 BCADHN C[C@@H](NC[C@@H](O)CN(C)C)c1ccncc1F ZINC000340479030 385895069 /nfs/dbraw/zinc/89/50/69/385895069.db2.gz UFZKWJMPINGOAT-NXEZZACHSA-N 0 3 241.310 0.794 20 0 BCADHN CC(C)[NH+]1CCC2(CC1)NC(=O)[N-]C2=O ZINC000022214579 385898759 /nfs/dbraw/zinc/89/87/59/385898759.db2.gz SGOPVVURVZEJFA-UHFFFAOYSA-N 0 3 211.265 0.909 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000338133001 385903200 /nfs/dbraw/zinc/90/32/00/385903200.db2.gz JGJAJJPFVBVMFW-YUMQZZPRSA-N 0 3 220.263 0.908 20 0 BCADHN CC[C@](C)(CCO)NC(=O)/C=C/CN(C)C ZINC000272464927 385904364 /nfs/dbraw/zinc/90/43/64/385904364.db2.gz LIWYFUMMCFUPME-NNNHXZLVSA-N 0 3 228.336 0.772 20 0 BCADHN NC(=O)N[C@@H]1CCN(CC[C@H]2CCCO2)C1 ZINC000408272908 385906181 /nfs/dbraw/zinc/90/61/81/385906181.db2.gz KUZCPHCNMCIYIJ-NXEZZACHSA-N 0 3 227.308 0.298 20 0 BCADHN CNC(=O)N[C@H]1CCN(CC[C@@H]2CCCO2)C1 ZINC000408272924 385907029 /nfs/dbraw/zinc/90/70/29/385907029.db2.gz LALUDARXWLLRCJ-QWRGUYRKSA-N 0 3 241.335 0.559 20 0 BCADHN CO[C@H]1C[C@@H](N(C)CCn2cccn2)C1 ZINC000285218620 385907372 /nfs/dbraw/zinc/90/73/72/385907372.db2.gz AKWQIGKWQLPPHL-PHIMTYICSA-N 0 3 209.293 0.992 20 0 BCADHN CCC[C@H](O)CN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000336741746 385907907 /nfs/dbraw/zinc/90/79/07/385907907.db2.gz RJGQYNDFLXDUQR-IUCAKERBSA-N 0 3 225.292 0.994 20 0 BCADHN Cc1cc(CC(=O)N2C[C@@H](C)NC[C@H]2C)no1 ZINC000272509611 385908263 /nfs/dbraw/zinc/90/82/63/385908263.db2.gz FZQVINQJNQFYJZ-RKDXNWHRSA-N 0 3 237.303 0.734 20 0 BCADHN CNC(=O)c1ccc(CN[C@H]2CCOC2)cc1 ZINC000112758216 385908314 /nfs/dbraw/zinc/90/83/14/385908314.db2.gz IYEUJSZCLOYWFQ-LBPRGKRZSA-N 0 3 234.299 0.925 20 0 BCADHN Cc1cc(CC(=O)N2C[C@H](C)NC[C@@H]2C)no1 ZINC000272509608 385908606 /nfs/dbraw/zinc/90/86/06/385908606.db2.gz FZQVINQJNQFYJZ-IUCAKERBSA-N 0 3 237.303 0.734 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000336721351 385908906 /nfs/dbraw/zinc/90/89/06/385908906.db2.gz SOLDCGTVXPAENW-APPZFPTMSA-N 0 3 247.289 0.322 20 0 BCADHN Cn1cccc1CNC[C@@H]1CCCC(=O)N1 ZINC000336721413 385909893 /nfs/dbraw/zinc/90/98/93/385909893.db2.gz ZTKNPLYFPKTQRH-JTQLQIEISA-N 0 3 221.304 0.783 20 0 BCADHN CS[C@@H](C)CNC(=O)[C@@H](N)C(C)C ZINC000122337372 385910773 /nfs/dbraw/zinc/91/07/73/385910773.db2.gz RSEJTQFBDDNQEO-YUMQZZPRSA-N 0 3 204.339 0.837 20 0 BCADHN COC(=O)C1=C(C)O[C@@H](CN2CC[C@@H](O)C2)C1 ZINC000272550031 385911786 /nfs/dbraw/zinc/91/17/86/385911786.db2.gz ORRLQKPKCKDBEK-NXEZZACHSA-N 0 3 241.287 0.289 20 0 BCADHN CCN(CCO)CCNC(=O)CCCC1CC1 ZINC000643244914 385912907 /nfs/dbraw/zinc/91/29/07/385912907.db2.gz VCAAGQJLPCVMLX-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@H]([C@@H](C)O)C1 ZINC000272573503 385913299 /nfs/dbraw/zinc/91/32/99/385913299.db2.gz WNGJSEOEECJVID-NXEZZACHSA-N 0 3 209.293 0.921 20 0 BCADHN CC(C)CCN1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366756848 385913641 /nfs/dbraw/zinc/91/36/41/385913641.db2.gz LTYZTFACPIPMGX-MNOVXSKESA-N 0 3 226.320 0.622 20 0 BCADHN Cc1nc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c[nH]1 ZINC000272557056 385914102 /nfs/dbraw/zinc/91/41/02/385914102.db2.gz TZBJGISVWLBCPU-PWSUYJOCSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1ncc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)[nH]1 ZINC000272557056 385914105 /nfs/dbraw/zinc/91/41/05/385914105.db2.gz TZBJGISVWLBCPU-PWSUYJOCSA-N 0 3 248.330 0.884 20 0 BCADHN CC[C@@H](C(=O)NCCC(=O)NC(C)C)N(C)C ZINC000338195973 385914488 /nfs/dbraw/zinc/91/44/88/385914488.db2.gz QPJHOOOXQICDSA-JTQLQIEISA-N 0 3 243.351 0.358 20 0 BCADHN C[C@@H](CCN(C)C)NC(=O)c1cc(C=O)c[nH]1 ZINC000294930913 385919549 /nfs/dbraw/zinc/91/95/49/385919549.db2.gz XMETXTIGJAUQMW-VIFPVBQESA-N 0 3 237.303 0.897 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@@]3(C)C[C@H]3F)C[C@@H]21 ZINC000424882783 385922106 /nfs/dbraw/zinc/92/21/06/385922106.db2.gz ZDMFBVOTDIBLJI-KLBPJQLPSA-N 0 3 226.295 0.897 20 0 BCADHN CCn1ccnc1C(=O)N[C@@H]1CCN(CC)C1 ZINC000414005202 385922903 /nfs/dbraw/zinc/92/29/03/385922903.db2.gz MBJDAMZVXAHCME-SNVBAGLBSA-N 0 3 236.319 0.727 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@@H](CO)C(C)C)C1 ZINC000414005353 385923255 /nfs/dbraw/zinc/92/32/55/385923255.db2.gz NCIWKIICOPCRNZ-MNOVXSKESA-N 0 3 228.336 0.461 20 0 BCADHN COC[C@H](NC[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000336767613 385924684 /nfs/dbraw/zinc/92/46/84/385924684.db2.gz PUWBGYNPQOMXCP-SDDRHHMPSA-N 0 3 229.320 0.949 20 0 BCADHN COC[C@@H](CN[C@@H](C)c1ccnn1C)OC ZINC000219297390 385926574 /nfs/dbraw/zinc/92/65/74/385926574.db2.gz VDCJKLZZOIRZQS-VHSXEESVSA-N 0 3 227.308 0.732 20 0 BCADHN COC[C@H](O)CNCc1cnc(OC)s1 ZINC000308984511 385926839 /nfs/dbraw/zinc/92/68/39/385926839.db2.gz GBSBSOGNRQYZAX-SSDOTTSWSA-N 0 3 232.305 0.249 20 0 BCADHN Cn1cc(NC(=O)NCC2=CCN(C)CC2)cn1 ZINC000271884250 385859376 /nfs/dbraw/zinc/85/93/76/385859376.db2.gz CPJAOCLJEPCYGO-UHFFFAOYSA-N 0 3 249.318 0.804 20 0 BCADHN CO[C@@]1(C)C[C@H](NC(=O)[C@@H](C)N)C1(C)C ZINC000121684964 385859648 /nfs/dbraw/zinc/85/96/48/385859648.db2.gz GTYLLGPIQGQISS-FYBVGQRMSA-N 0 3 214.309 0.653 20 0 BCADHN CCc1n[nH]cc1C(=O)NCC1=CCN(C)CC1 ZINC000271906169 385859694 /nfs/dbraw/zinc/85/96/94/385859694.db2.gz QSOBWVSHFSCISB-UHFFFAOYSA-N 0 3 248.330 0.964 20 0 BCADHN CCSCC[C@H](C)N(C)C(=O)CN ZINC000121643522 385859855 /nfs/dbraw/zinc/85/98/55/385859855.db2.gz MGTFXMBYGUGDCZ-QMMMGPOBSA-N 0 3 204.339 0.935 20 0 BCADHN CO[C@]1(C)C[C@@H](N(C)C(=O)CN)C1(C)C ZINC000121651651 385860041 /nfs/dbraw/zinc/86/00/41/385860041.db2.gz LZLWYUCXHHZODU-LDYMZIIASA-N 0 3 214.309 0.607 20 0 BCADHN CN1CC=C(CNC(=O)[C@@H]2CCCO2)CC1 ZINC000271929871 385861776 /nfs/dbraw/zinc/86/17/76/385861776.db2.gz VBAMBXCLZCCDHR-NSHDSACASA-N 0 3 224.304 0.544 20 0 BCADHN CO[C@H](C)CN(C)C[C@H](O)COC(C)C ZINC000336720232 385862441 /nfs/dbraw/zinc/86/24/41/385862441.db2.gz ZQMOVVPBIATJIV-MNOVXSKESA-N 0 3 219.325 0.739 20 0 BCADHN CN(C)CCN(C)C(=O)N(C)C1CCOCC1 ZINC000337972297 385862569 /nfs/dbraw/zinc/86/25/69/385862569.db2.gz AGXHMMLSYRYIGR-UHFFFAOYSA-N 0 3 243.351 0.711 20 0 BCADHN CCC[C@](C)(CO)NC(=O)[C@@H](CC)N(C)C ZINC000413691544 385863027 /nfs/dbraw/zinc/86/30/27/385863027.db2.gz IFANYKMKVHADKS-ZYHUDNBSSA-N 0 3 230.352 0.994 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2COCCO2)n1 ZINC000112716711 385863137 /nfs/dbraw/zinc/86/31/37/385863137.db2.gz CRENVVDXTCGRGL-SNVBAGLBSA-N 0 3 238.287 0.601 20 0 BCADHN CN1C[C@@H]2CCN(Cc3cn[nH]c3)[C@@H]2C1 ZINC000644839581 385863573 /nfs/dbraw/zinc/86/35/73/385863573.db2.gz BKELXBLBUZANKI-WDEREUQCSA-N 0 3 206.293 0.546 20 0 BCADHN Cc1cc(C(=O)NCC2=CCN(C)CC2)[nH]n1 ZINC000271969770 385863985 /nfs/dbraw/zinc/86/39/85/385863985.db2.gz ZYRLKXVKHCMVOK-UHFFFAOYSA-N 0 3 234.303 0.710 20 0 BCADHN CC(C)N(C)C(=O)CN[C@@H](C)[C@H](C)CO ZINC000228721646 385866459 /nfs/dbraw/zinc/86/64/59/385866459.db2.gz ZQOGQDCEVHRGHH-ZJUUUORDSA-N 0 3 216.325 0.460 20 0 BCADHN O=C1CCN([C@H]2Cc3ccccc3[C@@H]2O)CCN1 ZINC000272005278 385867823 /nfs/dbraw/zinc/86/78/23/385867823.db2.gz SEOBIUSQBZSYIP-JSGCOSHPSA-N 0 3 246.310 0.467 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2Cc2ccc(CO)o2)C1 ZINC000644840516 385868056 /nfs/dbraw/zinc/86/80/56/385868056.db2.gz KVUXMGDINCUGBT-GWCFXTLKSA-N 0 3 236.315 0.908 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H](C)[C@H]1CCCCO1 ZINC000336726025 385870659 /nfs/dbraw/zinc/87/06/59/385870659.db2.gz BLQXHDPAXUBEIJ-OUAUKWLOSA-N 0 3 249.376 0.967 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H](C)[C@H]1CO)N(C)C ZINC000413732862 385872649 /nfs/dbraw/zinc/87/26/49/385872649.db2.gz CCNUZUGGVTYQJL-HBNTYKKESA-N 0 3 228.336 0.556 20 0 BCADHN O=C1CCCN1CCN[C@@H](CO)c1ccccc1 ZINC000272092332 385874884 /nfs/dbraw/zinc/87/48/84/385874884.db2.gz JRVSPQLASOBXEH-ZDUSSCGKSA-N 0 3 248.326 0.932 20 0 BCADHN CN(C)[C@H]1CN(C[C@H]2CCCCO2)C[C@@H]1O ZINC000647940549 385876801 /nfs/dbraw/zinc/87/68/01/385876801.db2.gz GSXGJLATMPWYET-WOPDTQHZSA-N 0 3 228.336 0.162 20 0 BCADHN Cc1c[nH]nc1CN1CC[C@H]2CN(C)C[C@H]21 ZINC000644842130 385882642 /nfs/dbraw/zinc/88/26/42/385882642.db2.gz VPIOHNYJONBMOC-CMPLNLGQSA-N 0 3 220.320 0.854 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2Cc2csnn2)C1 ZINC000644841840 385882796 /nfs/dbraw/zinc/88/27/96/385882796.db2.gz SHQKFFNZFRXESB-WPRPVWTQSA-N 0 3 224.333 0.674 20 0 BCADHN Cc1nc(C(=O)NC[C@H]2CCN(C)C2)no1 ZINC000123396719 385883153 /nfs/dbraw/zinc/88/31/53/385883153.db2.gz RSTURSGGJMHGPR-MRVPVSSYSA-N 0 3 224.264 0.060 20 0 BCADHN CN([C@@H]1COC[C@H]1O)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000285925191 385977182 /nfs/dbraw/zinc/97/71/82/385977182.db2.gz LJSVWMVESRUULW-SYQHCUMBSA-N 0 3 249.310 0.336 20 0 BCADHN C[C@H](CCCCO)NCc1cnnn1C ZINC000336747454 385978477 /nfs/dbraw/zinc/97/84/77/385978477.db2.gz CLRZVGCTQMHICL-SECBINFHSA-N 0 3 212.297 0.456 20 0 BCADHN COC(=O)CCCCC(=O)NC[C@@H](C)N(C)C ZINC000338370203 385981879 /nfs/dbraw/zinc/98/18/79/385981879.db2.gz VHZGVUDTPAJHGC-SNVBAGLBSA-N 0 3 244.335 0.786 20 0 BCADHN CO[C@H](CN(C)CC(C)(CO)CO)C1CC1 ZINC000425415493 385983053 /nfs/dbraw/zinc/98/30/53/385983053.db2.gz JDLCYFUVEIJKIG-LLVKDONJSA-N 0 3 231.336 0.334 20 0 BCADHN CO[C@H](C)CN(C)C(=O)NC1CCN(C)CC1 ZINC000345070171 385983899 /nfs/dbraw/zinc/98/38/99/385983899.db2.gz AOYXKVSYAFRDJX-SNVBAGLBSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H]1CN(C(=O)NCCN(C)C2CC2)CCO1 ZINC000345076884 385986666 /nfs/dbraw/zinc/98/66/66/385986666.db2.gz RCUTXNKOYODJFR-SNVBAGLBSA-N 0 3 241.335 0.511 20 0 BCADHN CCN1CCCC[C@@H]1CN=c1nc[nH]n1C ZINC000647868149 385989966 /nfs/dbraw/zinc/98/99/66/385989966.db2.gz IUXHXKBGBSPLAG-SNVBAGLBSA-N 0 3 223.324 0.523 20 0 BCADHN CO[C@H]1CN(CCN2CCCC2=O)CC[C@@H]1C ZINC000189319229 385990179 /nfs/dbraw/zinc/99/01/79/385990179.db2.gz XYISIVSIWIEIOJ-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@H]1CCCC[C@H]1NCC(=O)N1CCC1 ZINC000336767915 385932461 /nfs/dbraw/zinc/93/24/61/385932461.db2.gz QCTKFTKCDAXAOE-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN COC(=O)[C@@](C)(O)CN(C)C[C@H]1CCCCO1 ZINC000251146985 385935022 /nfs/dbraw/zinc/93/50/22/385935022.db2.gz XRARUOSYQSBPTL-PWSUYJOCSA-N 0 3 245.319 0.411 20 0 BCADHN Cc1cc(=O)c(C(=O)NC[C@H](C)N(C)C)c[nH]1 ZINC000219501316 385936056 /nfs/dbraw/zinc/93/60/56/385936056.db2.gz BUTVWSZHIJWMQV-VIFPVBQESA-N 0 3 237.303 0.363 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@H](CO)[C@H]1C ZINC000414023989 385938856 /nfs/dbraw/zinc/93/88/56/385938856.db2.gz CVGOGHSZEXZODB-VXGBXAGGSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@H](CN(C)C)NCc1cnc(N(C)C)nc1 ZINC000342182925 385940235 /nfs/dbraw/zinc/94/02/35/385940235.db2.gz AQQKXXKQCIUKOY-SNVBAGLBSA-N 0 3 237.351 0.582 20 0 BCADHN CCN[C@H](C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000309031926 385941095 /nfs/dbraw/zinc/94/10/95/385941095.db2.gz FIZRPSHNEAFWJM-KXUCPTDWSA-N 0 3 214.309 0.620 20 0 BCADHN CN(C)CCNc1nc(C(N)=O)cs1 ZINC000292642952 385941504 /nfs/dbraw/zinc/94/15/04/385941504.db2.gz ZAFXMPBMZABUKL-UHFFFAOYSA-N 0 3 214.294 0.216 20 0 BCADHN Cn1cc(NC(=O)[C@@H]2CNCCC2(F)F)cn1 ZINC000647982023 385942741 /nfs/dbraw/zinc/94/27/41/385942741.db2.gz QORYLMOYAXUKTQ-QMMMGPOBSA-N 0 3 244.245 0.603 20 0 BCADHN CCn1ncnc1CN1CCNC[C@@](C)(F)C1 ZINC000647981980 385943025 /nfs/dbraw/zinc/94/30/25/385943025.db2.gz KARBWEIZUSXMEQ-LLVKDONJSA-N 0 3 241.314 0.431 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@]3(C)CCOC3)C[C@@H]21 ZINC000452973116 385946150 /nfs/dbraw/zinc/94/61/50/385946150.db2.gz JOFVJUIPAFQMPN-NTZNESFSSA-N 0 3 238.331 0.576 20 0 BCADHN CC[C@@H](O)CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000645294791 385948048 /nfs/dbraw/zinc/94/80/48/385948048.db2.gz UJKOVZJRJKWHJK-GXSJLCMTSA-N 0 3 241.335 0.293 20 0 BCADHN Cc1cnn(CCN[C@H](CO)[C@H]2CCCO2)c1 ZINC000342161556 385951468 /nfs/dbraw/zinc/95/14/68/385951468.db2.gz JANJZYRKAOSCOH-VXGBXAGGSA-N 0 3 239.319 0.321 20 0 BCADHN Cn1cc(CNC[C@@]2(C)CCOC2)cn1 ZINC000336742404 385951775 /nfs/dbraw/zinc/95/17/75/385951775.db2.gz WZDNKRITJWQQDZ-LLVKDONJSA-N 0 3 209.293 0.936 20 0 BCADHN Cc1n[nH]cc1CN[C@H]1CCC(=O)NC1(C)C ZINC000335055206 385953258 /nfs/dbraw/zinc/95/32/58/385953258.db2.gz GRXHLDLQPIVHGF-JTQLQIEISA-N 0 3 236.319 0.865 20 0 BCADHN C[C@H](N)C(=O)N1CCOc2cccc(F)c2C1 ZINC000335054998 385954596 /nfs/dbraw/zinc/95/45/96/385954596.db2.gz SUTDGICHPKKBNO-QMMMGPOBSA-N 0 3 238.262 0.894 20 0 BCADHN Cc1cnn(C)c1CNCC1(CCO)CC1 ZINC000336742346 385961228 /nfs/dbraw/zinc/96/12/28/385961228.db2.gz RVIZPUCVWJMKNA-UHFFFAOYSA-N 0 3 223.320 0.981 20 0 BCADHN CC[C@@H](C)NC(=O)CN1CCCN(C)CC1 ZINC000342331482 385967374 /nfs/dbraw/zinc/96/73/74/385967374.db2.gz COJUAFSSUIYDQQ-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN COC[C@H](O)CN[C@H](CO)c1ccc(F)cc1 ZINC000273131694 385971590 /nfs/dbraw/zinc/97/15/90/385971590.db2.gz RQRHEHWKDQCFRX-VXGBXAGGSA-N 0 3 243.278 0.456 20 0 BCADHN Cc1ncc(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)[nH]1 ZINC000335016535 385973269 /nfs/dbraw/zinc/97/32/69/385973269.db2.gz BIUPQGWAEVTHAC-BDAKNGLRSA-N 0 3 236.319 0.883 20 0 BCADHN Cc1cnn(C)c1CN[C@@]1(CCO)CCOC1 ZINC000286122551 385997127 /nfs/dbraw/zinc/99/71/27/385997127.db2.gz UWXHJXDWJWHHPG-LBPRGKRZSA-N 0 3 239.319 0.360 20 0 BCADHN CO[C@H](C)CCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000417455835 385997949 /nfs/dbraw/zinc/99/79/49/385997949.db2.gz GEIWUHDWHAZCLV-OUAUKWLOSA-N 0 3 243.351 0.803 20 0 BCADHN CC[C@@H](Cn1cncn1)N[C@H](C)C(=O)N(C)C ZINC000340498238 385999584 /nfs/dbraw/zinc/99/95/84/385999584.db2.gz LAHCJUZFSPDHQT-ZJUUUORDSA-N 0 3 239.323 0.123 20 0 BCADHN Cc1nnsc1CNCCc1ccn(C)n1 ZINC000309319663 386000045 /nfs/dbraw/zinc/00/00/45/386000045.db2.gz ACLQWYCQPIILID-UHFFFAOYSA-N 0 3 237.332 0.912 20 0 BCADHN Cn1cc(CNCCC[S@@](C)=O)cn1 ZINC000124226209 386001426 /nfs/dbraw/zinc/00/14/26/386001426.db2.gz UQSQCHYFECAEDX-AWEZNQCLSA-N 0 3 215.322 0.278 20 0 BCADHN CCN(CCNC(=O)CN(C)C(C)=O)C1CC1 ZINC000338437816 386001665 /nfs/dbraw/zinc/00/16/65/386001665.db2.gz PWXLEMNBRBYTDE-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN Cc1n[nH]cc1CNCCC[S@](C)=O ZINC000124220588 386001818 /nfs/dbraw/zinc/00/18/18/386001818.db2.gz DGCOSZFXJATNKJ-CQSZACIVSA-N 0 3 215.322 0.576 20 0 BCADHN CCN(C)CCNC(=O)c1coc(C(N)=O)c1 ZINC000273457241 386003318 /nfs/dbraw/zinc/00/33/18/386003318.db2.gz ASSPSPLDQRZBIG-UHFFFAOYSA-N 0 3 239.275 0.060 20 0 BCADHN C[C@@H](O)CN1CCN(CCCF)CC1 ZINC000189393997 386003670 /nfs/dbraw/zinc/00/36/70/386003670.db2.gz NVGLKCNAKBZQRF-SNVBAGLBSA-N 0 3 204.289 0.344 20 0 BCADHN CCN1CCC(NC(=O)NC[C@H](C)O)CC1 ZINC000408399270 386005855 /nfs/dbraw/zinc/00/58/55/386005855.db2.gz GIBCTCHTLFZZBV-VIFPVBQESA-N 0 3 229.324 0.151 20 0 BCADHN CCN(CCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC000338454821 386007901 /nfs/dbraw/zinc/00/79/01/386007901.db2.gz JCSCEABDYUQRJV-LBPRGKRZSA-N 0 3 239.363 0.681 20 0 BCADHN C[C@H](O)CCN[C@H](C(N)=O)C(C)(C)C ZINC000425416212 386008690 /nfs/dbraw/zinc/00/86/90/386008690.db2.gz KTFCJKLIXXUGAY-JGVFFNPUSA-N 0 3 202.298 0.247 20 0 BCADHN CC(C)N(C[C@H](C)O)C[C@H]1CCS(=O)(=O)C1 ZINC000408399348 386011184 /nfs/dbraw/zinc/01/11/84/386011184.db2.gz GVWHMPDOTOXHDQ-WDEREUQCSA-N 0 3 249.376 0.512 20 0 BCADHN C[C@H](N)C(=O)NCC(C)(C)C[C@H](C)O ZINC000336751713 386011369 /nfs/dbraw/zinc/01/13/69/386011369.db2.gz GQMWZMNAEYFJEK-YUMQZZPRSA-N 0 3 202.298 0.247 20 0 BCADHN C[C@@H](CN(C)C)Nc1ncnc2c1CN(C)CC2 ZINC000286229318 386012070 /nfs/dbraw/zinc/01/20/70/386012070.db2.gz BCHCXVWNRAQRRA-JTQLQIEISA-N 0 3 249.362 0.827 20 0 BCADHN Cc1sc(C(N)=O)cc1NC(=O)[C@H](C)N ZINC000309465429 386013094 /nfs/dbraw/zinc/01/30/94/386013094.db2.gz PTTNRTTYPHGMQV-BYPYZUCNSA-N 0 3 227.289 0.441 20 0 BCADHN CO[C@H](C)[C@H](C)NCC1(S(C)(=O)=O)CC1 ZINC000336752353 386013880 /nfs/dbraw/zinc/01/38/80/386013880.db2.gz GGMGASBSIWNYOQ-DTWKUNHWSA-N 0 3 235.349 0.577 20 0 BCADHN CCCc1nc(C(=O)NCCN(C)C)co1 ZINC000273568045 386013928 /nfs/dbraw/zinc/01/39/28/386013928.db2.gz YPZJHPGXFFUJHT-UHFFFAOYSA-N 0 3 225.292 0.919 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CC[C@](C)(C(N)=O)C1 ZINC000331813059 386021565 /nfs/dbraw/zinc/02/15/65/386021565.db2.gz BKKODVYNYIVRCM-UFBFGSQYSA-N 0 3 239.319 0.901 20 0 BCADHN CCOC[C@@H](C)N[C@H](C)C(=O)NCCF ZINC000336771088 386024816 /nfs/dbraw/zinc/02/48/16/386024816.db2.gz WILKSFVPGMGSBE-RKDXNWHRSA-N 0 3 220.288 0.475 20 0 BCADHN CCN(C)CCNC(=O)NC[C@H]1CCOC1 ZINC000338492471 386026853 /nfs/dbraw/zinc/02/68/53/386026853.db2.gz ZGCHESPKQCECRJ-SNVBAGLBSA-N 0 3 229.324 0.274 20 0 BCADHN CN(C)CCN(C)C(=O)c1cncnc1 ZINC000273723397 386027888 /nfs/dbraw/zinc/02/78/88/386027888.db2.gz MWPCMJVSSRJMCT-UHFFFAOYSA-N 0 3 208.265 0.110 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000414186789 386028448 /nfs/dbraw/zinc/02/84/48/386028448.db2.gz PTPALPUDQUDDHO-ZBAXXZLZSA-N 0 3 240.347 0.473 20 0 BCADHN COC[C@@H](N[C@@H]1COC[C@@H]1OC)C(C)C ZINC000414190376 386030411 /nfs/dbraw/zinc/03/04/11/386030411.db2.gz TYTHUQPMMDOXCG-MXWKQRLJSA-N 0 3 217.309 0.661 20 0 BCADHN CO[C@H](C)CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331821002 386031603 /nfs/dbraw/zinc/03/16/03/386031603.db2.gz ZDVYCWQKGCCFTQ-ZJUUUORDSA-N 0 3 241.335 0.557 20 0 BCADHN CN(C)C(=O)CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000334431400 386033038 /nfs/dbraw/zinc/03/30/38/386033038.db2.gz KPHDHXAMQNZLNB-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H](CO)Cc1ccccc1 ZINC000340229262 386037197 /nfs/dbraw/zinc/03/71/97/386037197.db2.gz CURCGDLJQGQIOI-PWSUYJOCSA-N 0 3 236.315 0.301 20 0 BCADHN O=S(=O)(N[C@@H]1CCCNC1)c1ccsc1 ZINC000334975594 386039311 /nfs/dbraw/zinc/03/93/11/386039311.db2.gz ZMZQQEZCXFMSKC-MRVPVSSYSA-N 0 3 246.357 0.778 20 0 BCADHN COC[C@@H](NC[C@H]1CN(C)C(=O)O1)C1CC1 ZINC000393910416 386041259 /nfs/dbraw/zinc/04/12/59/386041259.db2.gz SFZOQHPSPDZCTP-VHSXEESVSA-N 0 3 228.292 0.452 20 0 BCADHN C[C@@H]1CN([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC000425422800 386044016 /nfs/dbraw/zinc/04/40/16/386044016.db2.gz PTYVSJSYZTXSTQ-GMTAPVOTSA-N 0 3 240.347 0.698 20 0 BCADHN C[C@H](O)CCN1C[C@H](C)N(C)C[C@H]1C ZINC000425424674 386046624 /nfs/dbraw/zinc/04/66/24/386046624.db2.gz SOJBVUBRRQWQJP-AXFHLTTASA-N 0 3 200.326 0.782 20 0 BCADHN CO[C@H](CN1CC[C@@H](NC(N)=O)C1)C1CC1 ZINC000425425026 386047022 /nfs/dbraw/zinc/04/70/22/386047022.db2.gz SWODJXFYLDUIMR-NXEZZACHSA-N 0 3 227.308 0.154 20 0 BCADHN CC(C)[C@@H](C(=O)NCCc1ncc[nH]1)N(C)C ZINC000345186609 386054006 /nfs/dbraw/zinc/05/40/06/386054006.db2.gz CYDYOYKGVMTHRS-NSHDSACASA-N 0 3 238.335 0.655 20 0 BCADHN COC(=O)C[C@]1(NCC[C@H](C)O)CCOC1 ZINC000425435482 386054094 /nfs/dbraw/zinc/05/40/94/386054094.db2.gz SRJFONFOAJGJDB-GXSJLCMTSA-N 0 3 231.292 0.069 20 0 BCADHN CN(CCc1ccnn1C)CCN(C)C1CC1 ZINC000338563065 386054145 /nfs/dbraw/zinc/05/41/45/386054145.db2.gz IEQFJWFQQDTSLQ-UHFFFAOYSA-N 0 3 236.363 0.989 20 0 BCADHN CCN(C)C(=O)CCN[C@@H](C)c1cnn(C)c1 ZINC000273375534 385996006 /nfs/dbraw/zinc/99/60/06/385996006.db2.gz LXQAOQSEZBBGRS-JTQLQIEISA-N 0 3 238.335 0.939 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345311311 386101615 /nfs/dbraw/zinc/10/16/15/386101615.db2.gz DNGLFIPQXVMXJQ-RYUDHWBXSA-N 0 3 241.379 0.927 20 0 BCADHN COC[C@H](CO)NCc1ccc(OC)cc1 ZINC000234793662 386102362 /nfs/dbraw/zinc/10/23/62/386102362.db2.gz ZLAIKYYYANJLTJ-NSHDSACASA-N 0 3 225.288 0.792 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1c[nH]c(=S)[nH]1 ZINC000287274462 386108019 /nfs/dbraw/zinc/10/80/19/386108019.db2.gz SRDPVKQNACXRHH-LURJTMIESA-N 0 3 228.321 0.378 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@H]1CN(C)C[C@H]1C ZINC000414330509 386123792 /nfs/dbraw/zinc/12/37/92/386123792.db2.gz CAPSQPJFDZQXDM-VWYCJHECSA-N 0 3 227.352 0.439 20 0 BCADHN Cc1cc(CNC[C@H]2CCCN2C)nn1C ZINC000414308424 386110159 /nfs/dbraw/zinc/11/01/59/386110159.db2.gz QBQYUSGNLKFIMF-GFCCVEGCSA-N 0 3 222.336 0.912 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H](O)c1cccnc1 ZINC000287303211 386110354 /nfs/dbraw/zinc/11/03/54/386110354.db2.gz VRDQQWLLHFOCGN-GXSJLCMTSA-N 0 3 237.303 0.181 20 0 BCADHN COCc1cccc(CN[C@H](CO)COC)c1 ZINC000234872362 386111783 /nfs/dbraw/zinc/11/17/83/386111783.db2.gz AZKIAINCSPROMI-CYBMUJFWSA-N 0 3 239.315 0.930 20 0 BCADHN Cc1noc(CNC(=O)[C@@H]2CCCCN2)n1 ZINC000038034989 386114279 /nfs/dbraw/zinc/11/42/79/386114279.db2.gz GQMOCUGNDLCCHJ-QMMMGPOBSA-N 0 3 224.264 0.136 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Cc1cc[nH]n1 ZINC000287333377 386115151 /nfs/dbraw/zinc/11/51/51/386115151.db2.gz YBROKSLGMSEUAK-QMMMGPOBSA-N 0 3 210.281 0.019 20 0 BCADHN CC(C)CN1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000334462150 386118450 /nfs/dbraw/zinc/11/84/50/386118450.db2.gz QDOLABQKLZRSGV-LLVKDONJSA-N 0 3 248.392 0.998 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@](F)(CO)C1)N(C)C ZINC000338736110 386120346 /nfs/dbraw/zinc/12/03/46/386120346.db2.gz HHAUKINXVUHKGN-ONGXEEELSA-N 0 3 232.299 0.260 20 0 BCADHN CCN(C)CCNC(=O)c1cc(OC)n(C)n1 ZINC000274565248 386120455 /nfs/dbraw/zinc/12/04/55/386120455.db2.gz CIULEHFXIXEDJX-UHFFFAOYSA-N 0 3 240.307 0.110 20 0 BCADHN CCCCN(C)S(=O)(=O)N1CCNC[C@@H]1C ZINC000054371591 386121321 /nfs/dbraw/zinc/12/13/21/386121321.db2.gz QNSBWOQDHBVARH-JTQLQIEISA-N 0 3 249.380 0.257 20 0 BCADHN CCOC(=O)CCN1CC[C@H](OCCOC)C1 ZINC000189672286 386059272 /nfs/dbraw/zinc/05/92/72/386059272.db2.gz PVISOYHCNJDCQV-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN C[C@H](NCCN1CCOCC1)c1cn[nH]c1 ZINC000274010130 386059266 /nfs/dbraw/zinc/05/92/66/386059266.db2.gz KTDAKHNMQABXQV-JTQLQIEISA-N 0 3 224.308 0.393 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCCOCC1)N(C)C ZINC000345843483 386124288 /nfs/dbraw/zinc/12/42/88/386124288.db2.gz JULZVMVSHKYJAP-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CC(C)CN(C(=O)[C@@H](C)O)C1CCN(C)CC1 ZINC000345205690 386060947 /nfs/dbraw/zinc/06/09/47/386060947.db2.gz KMBNDLPSAWBWKM-LLVKDONJSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H](O)CCN1CCCN(C(=O)C2CC2)CC1 ZINC000425437355 386063774 /nfs/dbraw/zinc/06/37/74/386063774.db2.gz AZUSHNAIJGMOAK-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN CCN(C[C@@H](OC)C1CC1)[C@H]1CCNC1=O ZINC000425438940 386064903 /nfs/dbraw/zinc/06/49/03/386064903.db2.gz BLQPIRCPUPVUSX-WDEREUQCSA-N 0 3 226.320 0.622 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1CCCOC1 ZINC000335073324 386065658 /nfs/dbraw/zinc/06/56/58/386065658.db2.gz RNDONZAWUKIUOQ-QWRGUYRKSA-N 0 3 238.331 0.766 20 0 BCADHN CCn1ccc(CN[C@@H]2CN(C)C[C@@H]2C)n1 ZINC000414213191 386068220 /nfs/dbraw/zinc/06/82/20/386068220.db2.gz TZHRWJNBBTVNMZ-CMPLNLGQSA-N 0 3 222.336 0.943 20 0 BCADHN CNC(=O)[C@H]1CCC[C@H]1NCc1cncn1C ZINC000345840111 386122273 /nfs/dbraw/zinc/12/22/73/386122273.db2.gz GZSQABHHHPDSAN-WDEREUQCSA-N 0 3 236.319 0.424 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCC[C@H]1CCO1 ZINC000638591011 386072887 /nfs/dbraw/zinc/07/28/87/386072887.db2.gz ZLPFWNMXTGLQIT-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@@H]1[C@@H](C)N(Cc2cncn2C)CCN1C ZINC000335946479 386073342 /nfs/dbraw/zinc/07/33/42/386073342.db2.gz SMOJESAACRWMLQ-GHMZBOCLSA-N 0 3 222.336 0.945 20 0 BCADHN C[C@@H](CNC(=O)C[C@@H]1CCCC(=O)N1)N(C)C ZINC000345235665 386075050 /nfs/dbraw/zinc/07/50/50/386075050.db2.gz WQVYDZJKBYBZTC-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN CCN(CC(N)=O)C[C@@H]1CCCOC1 ZINC000355353159 386075461 /nfs/dbraw/zinc/07/54/61/386075461.db2.gz IPUKUWCQKYAWIZ-VIFPVBQESA-N 0 3 200.282 0.220 20 0 BCADHN CO[C@H](CN[C@@H]1C(=O)NCC[C@H]1C)C1CC1 ZINC000425443831 386075980 /nfs/dbraw/zinc/07/59/80/386075980.db2.gz MQIWJDASOPNPTA-IEBDPFPHSA-N 0 3 226.320 0.526 20 0 BCADHN CC[C@H]1CN([C@@H]2CCCNC2=O)CCCO1 ZINC000334447044 386076388 /nfs/dbraw/zinc/07/63/88/386076388.db2.gz LNURRROJRDAALA-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN CO[C@H](CN[C@H]1C(=O)NCC[C@@H]1C)C1CC1 ZINC000425443832 386076560 /nfs/dbraw/zinc/07/65/60/386076560.db2.gz MQIWJDASOPNPTA-JMJZKYOTSA-N 0 3 226.320 0.526 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1cncnc1 ZINC000274179075 386078987 /nfs/dbraw/zinc/07/89/87/386078987.db2.gz IRUNGVSCSIMBRR-NSHDSACASA-N 0 3 234.303 0.643 20 0 BCADHN C[C@H](O)CCN(CCO)[C@H]1CCO[C@@H]1C ZINC000425444889 386079453 /nfs/dbraw/zinc/07/94/53/386079453.db2.gz OKASPQUKNPZLMQ-AXFHLTTASA-N 0 3 217.309 0.229 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cccnc1 ZINC000286874998 386081277 /nfs/dbraw/zinc/08/12/77/386081277.db2.gz DQXHNWVKBMVBFD-VIFPVBQESA-N 0 3 207.277 0.762 20 0 BCADHN COC(=O)CC1(CN(CCO)C2CC2)CC1 ZINC000440701422 386082634 /nfs/dbraw/zinc/08/26/34/386082634.db2.gz AAFNUEGBNNBTCT-UHFFFAOYSA-N 0 3 227.304 0.786 20 0 BCADHN CC[C@H](C)CC(=O)NC[C@@](C)(O)CN(C)C ZINC000189721406 386083678 /nfs/dbraw/zinc/08/36/78/386083678.db2.gz ZIKVAGUYKOVBPJ-CMPLNLGQSA-N 0 3 230.352 0.851 20 0 BCADHN CC[C@@H](C(=O)Nc1nncn1C)N(CC)CC ZINC000274248062 386084597 /nfs/dbraw/zinc/08/45/97/386084597.db2.gz XUORDMRFLYVUHO-VIFPVBQESA-N 0 3 239.323 0.874 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccncc1 ZINC000286947789 386087231 /nfs/dbraw/zinc/08/72/31/386087231.db2.gz KKYKBMVDVGMLPG-VIFPVBQESA-N 0 3 207.277 0.762 20 0 BCADHN COC(=O)c1ccc(CNCCCCO)[nH]1 ZINC000234649882 386087362 /nfs/dbraw/zinc/08/73/62/386087362.db2.gz DLEWSDORHLURJX-UHFFFAOYSA-N 0 3 226.276 0.663 20 0 BCADHN CS[C@H](C)CNC(=O)C(N)C(F)(F)F ZINC000336772857 386087808 /nfs/dbraw/zinc/08/78/08/386087808.db2.gz YKLJJVVENGVNDN-UHNVWZDZSA-N 0 3 230.255 0.744 20 0 BCADHN CSCCCN(C)[C@@H]1COC[C@H]1O ZINC000336642796 386087968 /nfs/dbraw/zinc/08/79/68/386087968.db2.gz AKXSVHSVCUGJIX-RKDXNWHRSA-N 0 3 205.323 0.431 20 0 BCADHN CCOC[C@H](N[C@@H]1CCNC1=O)C(C)C ZINC000189794498 386088543 /nfs/dbraw/zinc/08/85/43/386088543.db2.gz SECKSXUMOFWDJN-ZJUUUORDSA-N 0 3 214.309 0.526 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000334450972 386089577 /nfs/dbraw/zinc/08/95/77/386089577.db2.gz UJFQKGZOJHPJOX-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@H](CO)N(C)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000338660104 386092590 /nfs/dbraw/zinc/09/25/90/386092590.db2.gz LZBRXYGLBIZLDN-GMTAPVOTSA-N 0 3 243.351 0.491 20 0 BCADHN C[C@@H](O)CCN[C@](C)(CO)c1cccc(O)c1 ZINC000425458261 386096965 /nfs/dbraw/zinc/09/69/65/386096965.db2.gz MKVHFDDEYZDNCE-ZWNOBZJWSA-N 0 3 239.315 0.960 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345311309 386100544 /nfs/dbraw/zinc/10/05/44/386100544.db2.gz DNGLFIPQXVMXJQ-NEPJUHHUSA-N 0 3 241.379 0.927 20 0 BCADHN CC(C)(O)CCNCc1cnc2cnccn12 ZINC000274759518 386146195 /nfs/dbraw/zinc/14/61/95/386146195.db2.gz OJSAJLIWYCJCTI-UHFFFAOYSA-N 0 3 234.303 0.980 20 0 BCADHN CCN(C)CCNC(=O)c1ccnc(CN)c1 ZINC000130257884 386148121 /nfs/dbraw/zinc/14/81/21/386148121.db2.gz ATOKSYZHHCIJCX-UHFFFAOYSA-N 0 3 236.319 0.222 20 0 BCADHN C[C@H](O)CCN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000425478832 386148482 /nfs/dbraw/zinc/14/84/82/386148482.db2.gz NFBFRDXUOKLVHN-TUAOUCFPSA-N 0 3 228.336 0.162 20 0 BCADHN CN(C)CCN(C)C(=O)CCCCC(N)=O ZINC000338830643 386150038 /nfs/dbraw/zinc/15/00/38/386150038.db2.gz FCOCUWUAOCJIMW-UHFFFAOYSA-N 0 3 229.324 0.052 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCc1cccn1C ZINC000287857376 386151690 /nfs/dbraw/zinc/15/16/90/386151690.db2.gz FINWGYZOLPASNF-JTQLQIEISA-N 0 3 238.335 0.774 20 0 BCADHN C[C@H](O)CCN1C[C@H](C)N(CCO)C[C@@H]1C ZINC000425483198 386152466 /nfs/dbraw/zinc/15/24/66/386152466.db2.gz UNICJPOUENQZND-SRVKXCTJSA-N 0 3 230.352 0.144 20 0 BCADHN CC[C@@H](C)NC(=O)CN[C@](C)(CO)C(C)C ZINC000336730019 386152955 /nfs/dbraw/zinc/15/29/55/386152955.db2.gz IALFUGASXQEPHV-ZYHUDNBSSA-N 0 3 230.352 0.898 20 0 BCADHN CC(C)N(Cc1ccc(O)cc1)C[C@@H](O)CO ZINC000643296404 386153978 /nfs/dbraw/zinc/15/39/78/386153978.db2.gz JNGRCSIWTYOLES-CYBMUJFWSA-N 0 3 239.315 0.956 20 0 BCADHN C[C@H](N[C@H]1CCCN(C)C1=O)[C@@H]1CCCO1 ZINC000336729877 386155376 /nfs/dbraw/zinc/15/53/76/386155376.db2.gz DKBRXXPARKKUSY-DCAQKATOSA-N 0 3 226.320 0.764 20 0 BCADHN CCN(CC(=O)NC[C@H](C)N(C)C)C1CC1 ZINC000343177143 386157116 /nfs/dbraw/zinc/15/71/16/386157116.db2.gz HZGJHCJARJQYRU-JTQLQIEISA-N 0 3 227.352 0.537 20 0 BCADHN CO[C@@H](C)CCNC(=O)NC[C@H]1CCCN1C ZINC000338845309 386158961 /nfs/dbraw/zinc/15/89/61/386158961.db2.gz SJWLUNPRTIUTFG-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CC(=O)CCCC(=O)N[C@H](C)CN(C)C ZINC000346175414 386161888 /nfs/dbraw/zinc/16/18/88/386161888.db2.gz YOQLKDMFYUDORD-SECBINFHSA-N 0 3 214.309 0.812 20 0 BCADHN C([C@H]1CCOC1)N1CCO[C@]2(CCOC2)C1 ZINC000346132906 386163930 /nfs/dbraw/zinc/16/39/30/386163930.db2.gz ALXBHPODBPECQX-VXGBXAGGSA-N 0 3 227.304 0.514 20 0 BCADHN CCOC[C@H](O)CN1CCN(C)C[C@H]1C(C)C ZINC000425486776 386165428 /nfs/dbraw/zinc/16/54/28/386165428.db2.gz VMWWXYYWLWYMEJ-OLZOCXBDSA-N 0 3 244.379 0.656 20 0 BCADHN CCCCCNC(=O)CN1CC[C@H](C)[C@@H]1CO ZINC000190370913 386165511 /nfs/dbraw/zinc/16/55/11/386165511.db2.gz HBXHLAZIAMFCDX-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1cnccc1CC(=O)N[C@H](C)CN(C)C ZINC000346136873 386165586 /nfs/dbraw/zinc/16/55/86/386165586.db2.gz LWJNRKGPZSDYAG-LLVKDONJSA-N 0 3 235.331 0.999 20 0 BCADHN CO[C@@H](C)CCC(=O)N[C@H](C)CN(C)C ZINC000346136084 386166405 /nfs/dbraw/zinc/16/64/05/386166405.db2.gz DIORKHSNOPAXHC-ZJUUUORDSA-N 0 3 216.325 0.868 20 0 BCADHN CNC(=O)NC1CCN(CC[C@@H](C)O)CC1 ZINC000425484903 386166872 /nfs/dbraw/zinc/16/68/72/386166872.db2.gz WHUPYUJGIFJCBY-SECBINFHSA-N 0 3 229.324 0.151 20 0 BCADHN C[C@H](CN(C)C)NC(=O)C[C@H]1CCCO1 ZINC000346155599 386167729 /nfs/dbraw/zinc/16/77/29/386167729.db2.gz ASPVSLOKKOAEDT-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CCC[C@](C)(O)C(=O)N[C@H](C)CN(C)C ZINC000346156361 386168327 /nfs/dbraw/zinc/16/83/27/386168327.db2.gz JWCMVHALGMLZLU-KOLCDFICSA-N 0 3 216.325 0.604 20 0 BCADHN CCOC[C@H](O)CN1CC[C@@H](O)C(C)(C)C1 ZINC000303799134 386168618 /nfs/dbraw/zinc/16/86/18/386168618.db2.gz ZLKFFWBTPZBQOJ-GHMZBOCLSA-N 0 3 231.336 0.477 20 0 BCADHN CCOC[C@@H](O)CN1CC[C@@H](O)C(C)(C)C1 ZINC000303799141 386169355 /nfs/dbraw/zinc/16/93/55/386169355.db2.gz ZLKFFWBTPZBQOJ-WDEREUQCSA-N 0 3 231.336 0.477 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1ccc[nH]c1=O ZINC000346160979 386169917 /nfs/dbraw/zinc/16/99/17/386169917.db2.gz FGUJIBZLVBVPNW-MRVPVSSYSA-N 0 3 223.276 0.467 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1ccncn1 ZINC000346156788 386170817 /nfs/dbraw/zinc/17/08/17/386170817.db2.gz BMPHTVZXXJYMEG-MRVPVSSYSA-N 0 3 208.265 0.157 20 0 BCADHN O=c1cc2c(n[nH]1)CCN(C[C@@H]1CCCCO1)C2 ZINC000275026428 386172417 /nfs/dbraw/zinc/17/24/17/386172417.db2.gz VHYHISXWKKNQEZ-NSHDSACASA-N 0 3 249.314 0.697 20 0 BCADHN CCOC[C@H](O)CN1C[C@H](C)N(CC)C[C@@H]1C ZINC000346168492 386173328 /nfs/dbraw/zinc/17/33/28/386173328.db2.gz PXMKWVWDVYADOK-RWMBFGLXSA-N 0 3 244.379 0.798 20 0 BCADHN Cc1ccc([O-])c(CN[C@H](C)CC[NH3+])n1 ZINC000414894481 386174798 /nfs/dbraw/zinc/17/47/98/386174798.db2.gz ZLPDGIHXAPFEJJ-MRVPVSSYSA-N 0 3 209.293 0.923 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H](C)[C@@H]1CO ZINC000346240742 386178356 /nfs/dbraw/zinc/17/83/56/386178356.db2.gz LWESDGFKOXIHGK-MNOVXSKESA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@@H](C(=O)NCC[C@H](C)O)N(CC)CC ZINC000346237464 386178681 /nfs/dbraw/zinc/17/86/81/386178681.db2.gz MMXBNVJRPXHTSJ-QWRGUYRKSA-N 0 3 230.352 0.994 20 0 BCADHN CCOC(=O)CCN1CC[C@@H](CO)C1 ZINC000157439211 386178801 /nfs/dbraw/zinc/17/88/01/386178801.db2.gz RJISXNDBUZEIRW-SECBINFHSA-N 0 3 201.266 0.254 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@]1(C)CCCO1 ZINC000346187653 386181900 /nfs/dbraw/zinc/18/19/00/386181900.db2.gz FJEWOFOXZPKXNW-GXSJLCMTSA-N 0 3 214.309 0.622 20 0 BCADHN CC1(CN2CCC[C@H](n3ccnn3)C2)COC1 ZINC000425502228 386183545 /nfs/dbraw/zinc/18/35/45/386183545.db2.gz PLNBINOCHFTTFP-NSHDSACASA-N 0 3 236.319 0.952 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1ccc[nH]c1=O ZINC000263913448 386191139 /nfs/dbraw/zinc/19/11/39/386191139.db2.gz MUFJRKBRBFHZAL-SNVBAGLBSA-N 0 3 249.314 0.953 20 0 BCADHN CCCCN(CC(N)=O)C[C@H](O)C(C)(C)C ZINC000340275992 386184875 /nfs/dbraw/zinc/18/48/75/386184875.db2.gz DZUJKOGBUPBKHM-JTQLQIEISA-N 0 3 230.352 0.981 20 0 BCADHN Cc1nnc(Cn2cc(CNC3CC3)nn2)[nH]1 ZINC000310468803 386186859 /nfs/dbraw/zinc/18/68/59/386186859.db2.gz AQRPCCTXBDCRFR-UHFFFAOYSA-N 0 3 233.279 0.005 20 0 BCADHN CC[C@@H](C(=O)N1CC(OCCOC)C1)N(C)C ZINC000338967662 386187055 /nfs/dbraw/zinc/18/70/55/386187055.db2.gz VSWPCXGYGVRURX-NSHDSACASA-N 0 3 244.335 0.200 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@H]1CN(C)C[C@@H]1C ZINC000414330502 386125329 /nfs/dbraw/zinc/12/53/29/386125329.db2.gz CAPSQPJFDZQXDM-DCAQKATOSA-N 0 3 227.352 0.439 20 0 BCADHN C[C@@H](CNC(=O)CCOCC(F)F)N(C)C ZINC000338747998 386125709 /nfs/dbraw/zinc/12/57/09/386125709.db2.gz AFCLLNHYYABAFO-QMMMGPOBSA-N 0 3 238.278 0.725 20 0 BCADHN C[C@@H]1COCC[C@@H]1C(=O)NCCN(C)C1CC1 ZINC000345850107 386126733 /nfs/dbraw/zinc/12/67/33/386126733.db2.gz QIZVWBHFSALJPE-PWSUYJOCSA-N 0 3 240.347 0.869 20 0 BCADHN COCC1=CCN(C[C@H](O)CSC)CC1 ZINC000494637269 533160118 /nfs/dbraw/zinc/16/01/18/533160118.db2.gz NGFJROZKSRCYHS-NSHDSACASA-N 0 3 231.361 0.989 20 0 BCADHN Cc1cc(CNC[C@H](C)N(C)C)nn1C ZINC000414339471 386128712 /nfs/dbraw/zinc/12/87/12/386128712.db2.gz ZHHMYUPYJRHATF-JTQLQIEISA-N 0 3 210.325 0.768 20 0 BCADHN CC[C@H](C(=O)NCCOC)N(CC)CC ZINC000345852456 386129768 /nfs/dbraw/zinc/12/97/68/386129768.db2.gz UNXHFTDUHUROLK-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN C[C@H](CNC(=O)CCc1ccnn1C)N(C)C ZINC000274632182 386132284 /nfs/dbraw/zinc/13/22/84/386132284.db2.gz WIYRESRWFKIWAX-SNVBAGLBSA-N 0 3 238.335 0.419 20 0 BCADHN Cc1cccc2ncc(CN[C@H](C)CC(N)=O)n21 ZINC000345863172 386134062 /nfs/dbraw/zinc/13/40/62/386134062.db2.gz XBGAFRLLICGTRH-SECBINFHSA-N 0 3 246.314 0.996 20 0 BCADHN COC(C)(C)CCN1CCC[C@H]1C(N)=O ZINC000345863624 386134150 /nfs/dbraw/zinc/13/41/50/386134150.db2.gz RLJNKULDAIITIJ-VIFPVBQESA-N 0 3 214.309 0.751 20 0 BCADHN CC[C@@H](C(=O)NCCN(C)C1CC1)C(=O)OC ZINC000338765703 386134774 /nfs/dbraw/zinc/13/47/74/386134774.db2.gz GIVSYRWZEPSXSW-JTQLQIEISA-N 0 3 242.319 0.396 20 0 BCADHN Cn1ncnc1N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000647872704 386138089 /nfs/dbraw/zinc/13/80/89/386138089.db2.gz HUOCNQBHIBHCCV-WDEREUQCSA-N 0 3 235.335 0.736 20 0 BCADHN C[C@@H]1CN(c2cncc3nncn32)C[C@H](C)N1C ZINC000338781937 386139075 /nfs/dbraw/zinc/13/90/75/386139075.db2.gz BHFBCPGMQUKVBV-AOOOYVTPSA-N 0 3 246.318 0.653 20 0 BCADHN Cc1ccc(F)cc1CNC(CO)CO ZINC000163247313 386142247 /nfs/dbraw/zinc/14/22/47/386142247.db2.gz WHBPMQHXVSGDGC-UHFFFAOYSA-N 0 3 213.252 0.577 20 0 BCADHN CC[C@H](O)CN1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000339118047 386259331 /nfs/dbraw/zinc/25/93/31/386259331.db2.gz DNLIFJJDROOJDL-DCAQKATOSA-N 0 3 229.320 0.888 20 0 BCADHN CN(C)C1(CNC(=O)[C@@]2(C)C[C@H]2F)CC1 ZINC000424897859 386204433 /nfs/dbraw/zinc/20/44/33/386204433.db2.gz WHSHBZYCOCGXFQ-SCZZXKLOSA-N 0 3 214.284 0.945 20 0 BCADHN CN(C)C1(CNC(=O)[C@]2(C)C[C@H]2F)CC1 ZINC000424897858 386204752 /nfs/dbraw/zinc/20/47/52/386204752.db2.gz WHSHBZYCOCGXFQ-PSASIEDQSA-N 0 3 214.284 0.945 20 0 BCADHN CN(CCNC(=O)[C@H]1CCCOC1)C1CC1 ZINC000340550810 386205688 /nfs/dbraw/zinc/20/56/88/386205688.db2.gz PLAKNZYEDOMKHJ-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN Cc1ncc(NC(=O)NC[C@H](C)N(C)C)cn1 ZINC000264173007 386213563 /nfs/dbraw/zinc/21/35/63/386213563.db2.gz KHMYVLGUOPJNDE-QMMMGPOBSA-N 0 3 237.307 0.857 20 0 BCADHN CC[C@H](O)CN1CCSC[C@@H]1CCO ZINC000339019036 386214096 /nfs/dbraw/zinc/21/40/96/386214096.db2.gz OZSDWCIXAGZQEA-UWVGGRQHSA-N 0 3 219.350 0.557 20 0 BCADHN Cc1ccc(CNC(=O)[C@H]2C[C@H](F)CN2)cn1 ZINC000275514413 386217165 /nfs/dbraw/zinc/21/71/65/386217165.db2.gz HYSVRURCRFHJCD-WDEREUQCSA-N 0 3 237.278 0.706 20 0 BCADHN CC[C@@H](C)N1CCc2n[nH]c(=O)cc2C1 ZINC000275499100 386217253 /nfs/dbraw/zinc/21/72/53/386217253.db2.gz BVWSKPNGTDHDCJ-MRVPVSSYSA-N 0 3 207.277 0.927 20 0 BCADHN C[C@H](CNC(=O)c1ccc2n[nH]nc2n1)N(C)C ZINC000416137829 386217787 /nfs/dbraw/zinc/21/77/87/386217787.db2.gz STLOZZWPGPJFFB-SSDOTTSWSA-N 0 3 248.290 0.033 20 0 BCADHN C[C@@H](O)C1CCN(CCn2cccn2)CC1 ZINC000225792516 386218303 /nfs/dbraw/zinc/21/83/03/386218303.db2.gz VVNJEBZWKFUALP-LLVKDONJSA-N 0 3 223.320 0.976 20 0 BCADHN C[C@H](CNC(=O)c1cccn(C)c1=O)N(C)C ZINC000264246669 386219915 /nfs/dbraw/zinc/21/99/15/386219915.db2.gz PRTOFABUQFLKMF-SECBINFHSA-N 0 3 237.303 0.065 20 0 BCADHN CC(C)[C@H](O)CN(CC(N)=O)C(C)(C)C ZINC000340291174 386222997 /nfs/dbraw/zinc/22/29/97/386222997.db2.gz UWYODWGIHCQJIR-SECBINFHSA-N 0 3 216.325 0.589 20 0 BCADHN CN1CCC(CC(=O)NC[C@@H]2CCOC2)CC1 ZINC000347037446 386226808 /nfs/dbraw/zinc/22/68/08/386226808.db2.gz JHRAKQXXNLBHKB-LBPRGKRZSA-N 0 3 240.347 0.871 20 0 BCADHN CC[C@H](O)CN1CC[C@@H](N2CCCC2=O)C1 ZINC000339055936 386227704 /nfs/dbraw/zinc/22/77/04/386227704.db2.gz HNDUPTVZDOQZHP-MNOVXSKESA-N 0 3 226.320 0.454 20 0 BCADHN CN1CCC(N(CCO)Cc2cccnc2)CC1 ZINC000264371032 386229018 /nfs/dbraw/zinc/22/90/18/386229018.db2.gz MOQSFMMZONOVGD-UHFFFAOYSA-N 0 3 249.358 0.970 20 0 BCADHN CC[C@H](O)CN1C[C@@H](C)N(C)C[C@H]1C ZINC000339061391 386229737 /nfs/dbraw/zinc/22/97/37/386229737.db2.gz JGKYPQOLWTZUED-MXWKQRLJSA-N 0 3 200.326 0.782 20 0 BCADHN CNS(=O)(=O)[C@H]1CCCN(CC2CC2)C1 ZINC000366250166 386232581 /nfs/dbraw/zinc/23/25/81/386232581.db2.gz YPMFHMUXZKJAOX-JTQLQIEISA-N 0 3 232.349 0.410 20 0 BCADHN CN1CCC(NC(=O)N2CCO[C@@H]3C[C@@H]32)CC1 ZINC000366259386 386234696 /nfs/dbraw/zinc/23/46/96/386234696.db2.gz JERNZSJYXRRXSS-WDEREUQCSA-N 0 3 239.319 0.263 20 0 BCADHN Cc1[nH]cnc1CC(=O)NC1CN(C(C)C)C1 ZINC000297226403 386236269 /nfs/dbraw/zinc/23/62/69/386236269.db2.gz YAQKKIKDACNBMR-UHFFFAOYSA-N 0 3 236.319 0.469 20 0 BCADHN Cn1cc(CCN2CCC[C@H](CO)C2)cn1 ZINC000226167361 386237298 /nfs/dbraw/zinc/23/72/98/386237298.db2.gz LKLOVUFSSAXOIY-LBPRGKRZSA-N 0 3 223.320 0.667 20 0 BCADHN COC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C1CC1 ZINC000125355829 386239889 /nfs/dbraw/zinc/23/98/89/386239889.db2.gz XUGWLIMHSOOCFO-VHSXEESVSA-N 0 3 228.336 0.901 20 0 BCADHN COC[C@@H](NC(=O)[C@@H]1CCCCN1)C1CC1 ZINC000125359262 386240394 /nfs/dbraw/zinc/24/03/94/386240394.db2.gz ZLNIPOWCTQBNEX-WDEREUQCSA-N 0 3 226.320 0.670 20 0 BCADHN CCCCN(CCC(=O)N(C)C)CC(N)=O ZINC000339082914 386240653 /nfs/dbraw/zinc/24/06/53/386240653.db2.gz GKLOCALBPBBZIO-UHFFFAOYSA-N 0 3 229.324 0.052 20 0 BCADHN COC[C@H](NC(=O)[C@H]1CCCCN1)C1CC1 ZINC000125359429 386241582 /nfs/dbraw/zinc/24/15/82/386241582.db2.gz ZLNIPOWCTQBNEX-MNOVXSKESA-N 0 3 226.320 0.670 20 0 BCADHN Cc1nnc(CN2CCCN(C)CC2)o1 ZINC000336642627 386245033 /nfs/dbraw/zinc/24/50/33/386245033.db2.gz ALMGTOMLMWLESI-UHFFFAOYSA-N 0 3 210.281 0.516 20 0 BCADHN CSCCN(C)C[C@H]1COCCO1 ZINC000336644006 386246218 /nfs/dbraw/zinc/24/62/18/386246218.db2.gz MSTPWVITCOGDFQ-VIFPVBQESA-N 0 3 205.323 0.697 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C(=O)C[C@@H]1CNCCO1 ZINC000125327691 386247562 /nfs/dbraw/zinc/24/75/62/386247562.db2.gz PPSBPHOAHAFOJK-OUAUKWLOSA-N 0 3 242.319 0.001 20 0 BCADHN CC[C@H]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000638355300 386247862 /nfs/dbraw/zinc/24/78/62/386247862.db2.gz HXIJHMGUAXTUNZ-XWLWVQCSSA-N 0 3 242.319 0.176 20 0 BCADHN C[C@@H](O)CN1CCSC[C@@H]1CCO ZINC000336643170 386248218 /nfs/dbraw/zinc/24/82/18/386248218.db2.gz FPWIICQLYUZFIC-BDAKNGLRSA-N 0 3 205.323 0.167 20 0 BCADHN C[C@H](O)CN1CCSC[C@@H]1CCO ZINC000336643172 386249145 /nfs/dbraw/zinc/24/91/45/386249145.db2.gz FPWIICQLYUZFIC-IUCAKERBSA-N 0 3 205.323 0.167 20 0 BCADHN O=C(NC[C@@H]1CC12CC2)[C@H]1CN2CCN1CCC2 ZINC000416262857 386249330 /nfs/dbraw/zinc/24/93/30/386249330.db2.gz XDFGXPOWEMWFOJ-NWDGAFQWSA-N 0 3 249.358 0.293 20 0 BCADHN C/C=C/C=C/C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000264596879 386253151 /nfs/dbraw/zinc/25/31/51/386253151.db2.gz XCKYORAWDODQLA-KANVGOIPSA-N 0 3 238.331 0.956 20 0 BCADHN CNS(=O)(=O)CCCN1CCC12CCC2 ZINC000336647011 386254190 /nfs/dbraw/zinc/25/41/90/386254190.db2.gz LQFJJEIYHSCEGM-UHFFFAOYSA-N 0 3 232.349 0.554 20 0 BCADHN CC(C)[C@H]1CCN(CCNS(C)(=O)=O)C1 ZINC000336646906 386254771 /nfs/dbraw/zinc/25/47/71/386254771.db2.gz LLAFBNVMVKQVLD-JTQLQIEISA-N 0 3 234.365 0.514 20 0 BCADHN CO[C@@H]1CCN([C@@H]2CCCCNC2=O)C1 ZINC000336647326 386257172 /nfs/dbraw/zinc/25/71/72/386257172.db2.gz MCBKIISMKJXSMM-NXEZZACHSA-N 0 3 212.293 0.376 20 0 BCADHN CO[C@@H]1CN(CCOC2CCC2)C[C@H]1OC ZINC000347139341 386257744 /nfs/dbraw/zinc/25/77/44/386257744.db2.gz YFWJCFAOHLRNTB-VXGBXAGGSA-N 0 3 229.320 0.901 20 0 BCADHN CO[C@H]1CN(CCOC2CCC2)C[C@@H]1OC ZINC000347139338 386257882 /nfs/dbraw/zinc/25/78/82/386257882.db2.gz YFWJCFAOHLRNTB-RYUDHWBXSA-N 0 3 229.320 0.901 20 0 BCADHN CC[S@](=O)CC(=O)N[C@H](C)CCN(C)C ZINC000346339829 386194037 /nfs/dbraw/zinc/19/40/37/386194037.db2.gz QKQODYNBVFBGTM-PSLIRLAXSA-N 0 3 234.365 0.211 20 0 BCADHN CCn1nccc1CN[C@H]1CNCCC1(F)F ZINC000414997588 386194447 /nfs/dbraw/zinc/19/44/47/386194447.db2.gz HWEGGWRMTUTNBW-JTQLQIEISA-N 0 3 244.289 0.990 20 0 BCADHN CC(C)(NC(=O)c1ccc2c(c1)CNC2)C(N)=O ZINC000131123350 386195413 /nfs/dbraw/zinc/19/54/13/386195413.db2.gz SXMSMEBDQGCMEZ-UHFFFAOYSA-N 0 3 247.298 0.284 20 0 BCADHN CCC[C@@H]1CN(C[C@H](C)O)CCN1C[C@H](C)O ZINC000340282631 386195991 /nfs/dbraw/zinc/19/59/91/386195991.db2.gz KZBKANRSUHBHJY-RWMBFGLXSA-N 0 3 244.379 0.534 20 0 BCADHN Cc1noc(NC(=O)N[C@@H](C)CN(C)C)n1 ZINC000296739878 386197614 /nfs/dbraw/zinc/19/76/14/386197614.db2.gz HPIZTGKMYQTFGP-LURJTMIESA-N 0 3 227.268 0.450 20 0 BCADHN C[C@H](NC(=O)[C@@H](N)C(C)(C)C)c1ncon1 ZINC000125486192 386259262 /nfs/dbraw/zinc/25/92/62/386259262.db2.gz CAECOZUZODYBFN-NKWVEPMBSA-N 0 3 226.280 0.620 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)c1ncon1 ZINC000125486379 386259272 /nfs/dbraw/zinc/25/92/72/386259272.db2.gz CAECOZUZODYBFN-RNFRBKRXSA-N 0 3 226.280 0.620 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@H](O)c1ccsc1 ZINC000225519985 386200005 /nfs/dbraw/zinc/20/00/05/386200005.db2.gz NCNLJFCAMDNSRZ-NXEZZACHSA-N 0 3 242.344 0.881 20 0 BCADHN Cc1ncc(C(=O)NC[C@@H]2CCCN2C)[nH]1 ZINC000264901148 386280672 /nfs/dbraw/zinc/28/06/72/386280672.db2.gz XCNQRZRZMHYGJY-VIFPVBQESA-N 0 3 222.292 0.542 20 0 BCADHN C[C@@H]1NCCN(C(=O)N[C@H]2CCCOC2)[C@H]1C ZINC000417525311 386281195 /nfs/dbraw/zinc/28/11/95/386281195.db2.gz KVMZTFAYPDFEJD-DCAQKATOSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@H](O)CN1CCC(O[C@H]2CCOC2)CC1 ZINC000336662471 386282069 /nfs/dbraw/zinc/28/20/69/386282069.db2.gz ORVRYZHUHUKKNH-JQWIXIFHSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@@H](O)CN(CCOC1CCC1)[C@H](C)CO ZINC000347199741 386282713 /nfs/dbraw/zinc/28/27/13/386282713.db2.gz NHBPITMGZBEBNR-GHMZBOCLSA-N 0 3 231.336 0.619 20 0 BCADHN Cn1cc([C@@H](CO)NCC[C@H]2CCCO2)cn1 ZINC000276205428 386283702 /nfs/dbraw/zinc/28/37/02/386283702.db2.gz KAQJIMRMOIRUIZ-VXGBXAGGSA-N 0 3 239.319 0.612 20 0 BCADHN Cn1c2ccccc2nc1NC(=O)[C@H]1CCN1 ZINC000639075975 386283801 /nfs/dbraw/zinc/28/38/01/386283801.db2.gz MVDMLXLOIDXLKU-SECBINFHSA-N 0 3 230.271 0.874 20 0 BCADHN CCN(C)CCNC(=O)c1cncn1C ZINC000289332667 386284076 /nfs/dbraw/zinc/28/40/76/386284076.db2.gz GYKJBDHKIUHZII-UHFFFAOYSA-N 0 3 210.281 0.102 20 0 BCADHN COC(=O)CCN1CCC[C@H](n2ccnn2)C1 ZINC000425504209 386284832 /nfs/dbraw/zinc/28/48/32/386284832.db2.gz VIWZSNAVVDCXDZ-JTQLQIEISA-N 0 3 238.291 0.478 20 0 BCADHN O=C(CC1CC1)NCC1CCN(CCO)CC1 ZINC000133002991 386285572 /nfs/dbraw/zinc/28/55/72/386285572.db2.gz DUZCUTQNQMVQHM-UHFFFAOYSA-N 0 3 240.347 0.607 20 0 BCADHN CCN(CCS(=O)(=O)N(C)C)CC1CC1 ZINC000336663820 386285811 /nfs/dbraw/zinc/28/58/11/386285811.db2.gz CXFFLGQLBSMNBA-UHFFFAOYSA-N 0 3 234.365 0.610 20 0 BCADHN C[C@H](O)CN1CC[C@@H](Oc2ccncc2)C1 ZINC000336664221 386287866 /nfs/dbraw/zinc/28/78/66/386287866.db2.gz ZWDCIQSSWUQVPF-CMPLNLGQSA-N 0 3 222.288 0.916 20 0 BCADHN CN(C)CCNC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000188180772 386287922 /nfs/dbraw/zinc/28/79/22/386287922.db2.gz AGBWBXABMHBOGD-SNVBAGLBSA-N 0 3 243.351 0.805 20 0 BCADHN COCCO[C@@H]1CCN(CCn2cncn2)C1 ZINC000347226178 386289561 /nfs/dbraw/zinc/28/95/61/386289561.db2.gz MHZDJWNMJNXYFP-LLVKDONJSA-N 0 3 240.307 0.015 20 0 BCADHN CO[C@H]1CN(CCn2cncn2)CC[C@H]1C ZINC000336665941 386289705 /nfs/dbraw/zinc/28/97/05/386289705.db2.gz JUARYHHBOZKFEJ-MNOVXSKESA-N 0 3 224.308 0.635 20 0 BCADHN COC(=O)[C@@H]1CCN(CCn2cncn2)[C@H]1C ZINC000347223088 386290054 /nfs/dbraw/zinc/29/00/54/386290054.db2.gz KCMMKLKHESBVCJ-VHSXEESVSA-N 0 3 238.291 0.162 20 0 BCADHN C[C@@H](O)CN1CCC[C@H](n2ccnn2)C1 ZINC000425515183 386290417 /nfs/dbraw/zinc/29/04/17/386290417.db2.gz QOLMKSMRCRPROA-ZJUUUORDSA-N 0 3 210.281 0.296 20 0 BCADHN CCOC[C@H](C)N[C@@H]1CNCCC1(F)F ZINC000415004920 386290442 /nfs/dbraw/zinc/29/04/42/386290442.db2.gz QZMSPFJHSKMXBU-DTWKUNHWSA-N 0 3 222.279 0.998 20 0 BCADHN CN(CCc1ccnn1C)CCn1cccn1 ZINC000276286830 386296430 /nfs/dbraw/zinc/29/64/30/386296430.db2.gz GUQHUPDMRAOXKZ-UHFFFAOYSA-N 0 3 233.319 0.791 20 0 BCADHN Cc1ncc(C(=O)N2CCN3CCC2CC3)[nH]1 ZINC000335264951 386296744 /nfs/dbraw/zinc/29/67/44/386296744.db2.gz SLSKLJWGXJFFIJ-UHFFFAOYSA-N 0 3 234.303 0.638 20 0 BCADHN CC(=O)c1cc(C(=O)N[C@@H](CN)C2CC2)n(C)c1 ZINC000236651864 386297836 /nfs/dbraw/zinc/29/78/36/386297836.db2.gz SIBACZJNRNTOBI-NSHDSACASA-N 0 3 249.314 0.695 20 0 BCADHN OC[C@H]1CC[C@@H](CO)N1CCOCC1CC1 ZINC000347299058 386299969 /nfs/dbraw/zinc/29/99/69/386299969.db2.gz XXSCSHCDZZMTSF-TXEJJXNPSA-N 0 3 229.320 0.231 20 0 BCADHN Cc1cnn([C@H]2CCN(CCOCCO)C2)c1 ZINC000289413120 386301740 /nfs/dbraw/zinc/30/17/40/386301740.db2.gz ALLRLAGWMYRKGQ-LBPRGKRZSA-N 0 3 239.319 0.447 20 0 BCADHN CCN(CCO)[C@@H]1CCCN(C(C)C)C1=O ZINC000336672402 386302408 /nfs/dbraw/zinc/30/24/08/386302408.db2.gz KFFQKBPTZDRXBL-LLVKDONJSA-N 0 3 228.336 0.700 20 0 BCADHN CC(C)N(Cc1ccccn1)C[C@@H](O)CO ZINC000336673521 386306054 /nfs/dbraw/zinc/30/60/54/386306054.db2.gz KTTCSPQLEDYOIF-GFCCVEGCSA-N 0 3 224.304 0.645 20 0 BCADHN CCn1cc(CN[C@@H]2CNCCC2(F)F)cn1 ZINC000415005769 386306796 /nfs/dbraw/zinc/30/67/96/386306796.db2.gz RWTXXKORXUTRPE-SNVBAGLBSA-N 0 3 244.289 0.990 20 0 BCADHN CO[C@H](C)C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000340595350 386309479 /nfs/dbraw/zinc/30/94/79/386309479.db2.gz QMRBGDDZIRHQMV-BBBLOLIVSA-N 0 3 246.376 0.525 20 0 BCADHN Cc1noc(CCCN2C[C@@H](O)C[C@H]2C)n1 ZINC000336669120 386311008 /nfs/dbraw/zinc/31/10/08/386311008.db2.gz HUPJTQIIPVABBM-SCZZXKLOSA-N 0 3 225.292 0.766 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cc2n[nH]cc2cc1C ZINC000289472628 386311537 /nfs/dbraw/zinc/31/15/37/386311537.db2.gz BBEGHIVQDPNACX-LLVKDONJSA-N 0 3 248.286 0.784 20 0 BCADHN CCN(CCOC)C[C@@H]1COCCO1 ZINC000336669477 386312090 /nfs/dbraw/zinc/31/20/90/386312090.db2.gz DPANQXUCMBKEEA-SNVBAGLBSA-N 0 3 203.282 0.370 20 0 BCADHN Cc1cccnc1CN1[C@H](CO)CC[C@H]1CO ZINC000347274398 386313331 /nfs/dbraw/zinc/31/33/31/386313331.db2.gz AOVDTRDTPSMDEU-RYUDHWBXSA-N 0 3 236.315 0.708 20 0 BCADHN CC(C)(N)C(=O)Nc1nc2c(s1)COCC2 ZINC000236818015 386315295 /nfs/dbraw/zinc/31/52/95/386315295.db2.gz YQLKUPZKLRHLNE-UHFFFAOYSA-N 0 3 241.316 0.892 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC000347278877 386315311 /nfs/dbraw/zinc/31/53/11/386315311.db2.gz WGDJGNIVXCBQCP-ZJUUUORDSA-N 0 3 244.335 0.498 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000236795989 386315363 /nfs/dbraw/zinc/31/53/63/386315363.db2.gz SXSHEYOKVOEYEE-SNVBAGLBSA-N 0 3 240.278 0.713 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC000347278870 386315329 /nfs/dbraw/zinc/31/53/29/386315329.db2.gz WGDJGNIVXCBQCP-UWVGGRQHSA-N 0 3 244.335 0.498 20 0 BCADHN Cc1n[nH]cc1CN1CCNC[C@](C)(F)C1 ZINC000335260306 386315393 /nfs/dbraw/zinc/31/53/93/386315393.db2.gz ZCULFVIWAUOXDK-NSHDSACASA-N 0 3 226.299 0.852 20 0 BCADHN C[C@@H]1C[C@H](CN2C[C@H](C)O[C@H](CO)C2)CCO1 ZINC000347280480 386316066 /nfs/dbraw/zinc/31/60/66/386316066.db2.gz SDXXGJVAKSAHJT-XQHKEYJVSA-N 0 3 243.347 0.883 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccnc(N(C)C)c1 ZINC000289494741 386317194 /nfs/dbraw/zinc/31/71/94/386317194.db2.gz AIKWWCXWIJRYPC-SECBINFHSA-N 0 3 238.291 0.060 20 0 BCADHN Cc1[nH]nc(C(=O)NC[C@H]2CCN(C)C2)c1C ZINC000265211509 386318034 /nfs/dbraw/zinc/31/80/34/386318034.db2.gz LKNGZBKREWIAKL-SNVBAGLBSA-N 0 3 236.319 0.708 20 0 BCADHN COCCCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000416442336 386319518 /nfs/dbraw/zinc/31/95/18/386319518.db2.gz XCMXLKBWLMLWKS-NXEZZACHSA-N 0 3 229.324 0.415 20 0 BCADHN Cc1ccc([O-])c(CN2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000091996229 386319541 /nfs/dbraw/zinc/31/95/41/386319541.db2.gz BLMXAJHMYQDFCR-PHIMTYICSA-N 0 3 233.315 0.747 20 0 BCADHN Cn1cncc1CNCCN1CCCOCC1 ZINC000289508476 386321297 /nfs/dbraw/zinc/32/12/97/386321297.db2.gz UKOHBCWFHLUEGN-UHFFFAOYSA-N 0 3 238.335 0.232 20 0 BCADHN CC[C@H](N)C(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC000262540292 386262364 /nfs/dbraw/zinc/26/23/64/386262364.db2.gz RJWCXJCFQJOFLT-GWCFXTLKSA-N 0 3 249.314 0.241 20 0 BCADHN CN(CCn1cccn1)CC1(C)COC1 ZINC000336650857 386263242 /nfs/dbraw/zinc/26/32/42/386263242.db2.gz UBZATIQPYKHYBM-UHFFFAOYSA-N 0 3 209.293 0.851 20 0 BCADHN CC[C@H](O)CN(CCOC)[C@@H]1CCO[C@H]1C ZINC000339132715 386264568 /nfs/dbraw/zinc/26/45/68/386264568.db2.gz KCXSJWZSNIXDJU-SDDRHHMPSA-N 0 3 231.336 0.883 20 0 BCADHN CO[C@@H](C(=O)NCC1(N(C)C)CC1)C1CC1 ZINC000416305052 386266768 /nfs/dbraw/zinc/26/67/68/386266768.db2.gz ADCMFWKXDIQIFN-SNVBAGLBSA-N 0 3 226.320 0.622 20 0 BCADHN COC[C@H](O)CN(C)[C@H](CO)c1ccccc1 ZINC000264756431 386267399 /nfs/dbraw/zinc/26/73/99/386267399.db2.gz HLIXUPIVULFSOI-CHWSQXEVSA-N 0 3 239.315 0.659 20 0 BCADHN CN(C)C1(CNC(=O)c2cnc[nH]2)CC1 ZINC000416304087 386267853 /nfs/dbraw/zinc/26/78/53/386267853.db2.gz TWSGUNLCDXRXKB-UHFFFAOYSA-N 0 3 208.265 0.234 20 0 BCADHN Cc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)cnn1 ZINC000276071297 386268425 /nfs/dbraw/zinc/26/84/25/386268425.db2.gz MCMWDEXLHMGNJR-SNVBAGLBSA-N 0 3 248.330 0.998 20 0 BCADHN CC[C@@H](C(=O)NCC1(N(C)C)CC1)N(C)C ZINC000416307216 386269278 /nfs/dbraw/zinc/26/92/78/386269278.db2.gz JQMOYKVOMCSHFY-JTQLQIEISA-N 0 3 227.352 0.537 20 0 BCADHN COc1ccc(C(=O)NCC2(N(C)C)CC2)nc1 ZINC000416307351 386270243 /nfs/dbraw/zinc/27/02/43/386270243.db2.gz KHRFKIKNNTVQKZ-UHFFFAOYSA-N 0 3 249.314 0.914 20 0 BCADHN Cc1ncc(C(=O)NCC2(N(C)C)CC2)c(C)n1 ZINC000416307575 386270916 /nfs/dbraw/zinc/27/09/16/386270916.db2.gz LLYYNWKJZBKHDX-UHFFFAOYSA-N 0 3 248.330 0.917 20 0 BCADHN CC(C)[C@](C)(O)C(=O)NCC1(N(C)C)CC1 ZINC000416307592 386271184 /nfs/dbraw/zinc/27/11/84/386271184.db2.gz LSBNHDLFUMZJJU-NSHDSACASA-N 0 3 228.336 0.604 20 0 BCADHN CN(CCN1CCCS1(=O)=O)CC1CC1 ZINC000336653800 386271810 /nfs/dbraw/zinc/27/18/10/386271810.db2.gz YPTITCOKIRZRLP-UHFFFAOYSA-N 0 3 232.349 0.364 20 0 BCADHN CC[C@H](O)CN(CCO)[C@H]1CCO[C@@H]1C ZINC000339146929 386273327 /nfs/dbraw/zinc/27/33/27/386273327.db2.gz BHVIXKMTQBSMHR-VWYCJHECSA-N 0 3 217.309 0.229 20 0 BCADHN CC[C@H](C(=O)OC)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425540505 386340346 /nfs/dbraw/zinc/34/03/46/386340346.db2.gz DUGXRXYDQOAJNZ-RKDXNWHRSA-N 0 3 238.291 0.546 20 0 BCADHN COC[C@H]1CCN1CCN1CCCOCC1 ZINC000339289676 386340766 /nfs/dbraw/zinc/34/07/66/386340766.db2.gz HBWPFFNQMMARHZ-GFCCVEGCSA-N 0 3 228.336 0.429 20 0 BCADHN COC(=O)CCN1CC[C@H](c2nnc[nH]2)C1 ZINC000425539948 386340928 /nfs/dbraw/zinc/34/09/28/386340928.db2.gz DLOQMCXFGAUMCE-QMMMGPOBSA-N 0 3 224.264 0.157 20 0 BCADHN C[C@H](CNC(=O)Nc1cnn(C)c1)N(C)C ZINC000298429872 386343141 /nfs/dbraw/zinc/34/31/41/386343141.db2.gz DRNIXZSZMKGXSG-MRVPVSSYSA-N 0 3 225.296 0.492 20 0 BCADHN CSCCCN(C)[C@@H]1CCCNC1=O ZINC000336685796 386345712 /nfs/dbraw/zinc/34/57/12/386345712.db2.gz LBBHZPCWCZHCEX-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN CCN(CCCO)[C@H]1CCN(C(C)C)C1=O ZINC000336686271 386345727 /nfs/dbraw/zinc/34/57/27/386345727.db2.gz WBICPYPIDRTXCX-NSHDSACASA-N 0 3 228.336 0.700 20 0 BCADHN COCCn1cc(CN(C)CCN(C)C)cn1 ZINC000289738982 386349359 /nfs/dbraw/zinc/34/93/59/386349359.db2.gz IKGTTWDUJGOTSM-UHFFFAOYSA-N 0 3 240.351 0.523 20 0 BCADHN O=C1NCCCC[C@H]1N(CCO)CC1CC1 ZINC000336688843 386350709 /nfs/dbraw/zinc/35/07/09/386350709.db2.gz YWKFTLAIOKQESJ-LLVKDONJSA-N 0 3 226.320 0.359 20 0 BCADHN C[C@@H](O)CCN1CCOC2(CCOCC2)C1 ZINC000336687990 386351598 /nfs/dbraw/zinc/35/15/98/386351598.db2.gz YFMUUBHWVBKATM-LLVKDONJSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@H](CC(N)=O)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000339285220 386352091 /nfs/dbraw/zinc/35/20/91/386352091.db2.gz RBVJWAJHLUMLQF-NXEZZACHSA-N 0 3 241.335 0.051 20 0 BCADHN CCS(=O)(=O)NCCN1CC[C@H](C(C)C)C1 ZINC000336689666 386354142 /nfs/dbraw/zinc/35/41/42/386354142.db2.gz ZUFRTIALOXLUEL-NSHDSACASA-N 0 3 248.392 0.904 20 0 BCADHN CCOC[C@H](O)CN1CC[C@H]1COC ZINC000339294350 386356519 /nfs/dbraw/zinc/35/65/19/386356519.db2.gz VKEMGDAUAUHOEJ-VHSXEESVSA-N 0 3 203.282 0.105 20 0 BCADHN CN(CCNC(=O)CN)Cc1ccc(F)cc1 ZINC000237142349 386360249 /nfs/dbraw/zinc/36/02/49/386360249.db2.gz BVTTYIUSPMHDCT-UHFFFAOYSA-N 0 3 239.294 0.332 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@H]1CCCOC1 ZINC000265694718 386361080 /nfs/dbraw/zinc/36/10/80/386361080.db2.gz ZQXWISOJRVZOHR-ZXCPCRMDSA-N 0 3 226.320 0.647 20 0 BCADHN COCCn1nnc2c1CCN(CC(C)C)C2 ZINC000339299834 386361450 /nfs/dbraw/zinc/36/14/50/386361450.db2.gz ZPXWZIDKZIWJKT-UHFFFAOYSA-N 0 3 238.335 0.939 20 0 BCADHN CN(C[C@H]1CCCCO1)C[C@@H]1COCCO1 ZINC000336699966 386386927 /nfs/dbraw/zinc/38/69/27/386386927.db2.gz JWRNBUROADXKIP-VXGBXAGGSA-N 0 3 229.320 0.903 20 0 BCADHN CO[C@H]1CN(CC2(O)CCC2)C[C@@H]1OC ZINC000336694549 386363776 /nfs/dbraw/zinc/36/37/76/386363776.db2.gz FFQDOOKFCFWIEJ-UWVGGRQHSA-N 0 3 215.293 0.247 20 0 BCADHN COCCN(CCO)CC[C@@H]1CCCCO1 ZINC000347403463 386386997 /nfs/dbraw/zinc/38/69/97/386386997.db2.gz VODZPFGBXHDCDA-LBPRGKRZSA-N 0 3 231.336 0.886 20 0 BCADHN Cc1cnn([C@@H]2CCN(C[C@@H](C)O)C2)c1 ZINC000289853408 386364810 /nfs/dbraw/zinc/36/48/10/386364810.db2.gz KUJJBAXKNCFMFS-GHMZBOCLSA-N 0 3 209.293 0.819 20 0 BCADHN Cc1cnn([C@H]2CCN(C[C@H](C)O)C2)c1 ZINC000289853413 386365302 /nfs/dbraw/zinc/36/53/02/386365302.db2.gz KUJJBAXKNCFMFS-QWRGUYRKSA-N 0 3 209.293 0.819 20 0 BCADHN CO[C@@H]1CN(CC2(C)COC2)C[C@@H]1OC ZINC000336693397 386366647 /nfs/dbraw/zinc/36/66/47/386366647.db2.gz CWYAOUSBGOGAQN-AOOOYVTPSA-N 0 3 215.293 0.369 20 0 BCADHN CC(C)N(C)CC(=O)N(C)Cc1ccon1 ZINC000265761326 386368498 /nfs/dbraw/zinc/36/84/98/386368498.db2.gz BBAYCEFKUMNHFN-UHFFFAOYSA-N 0 3 225.292 0.973 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCCC2(CCC2)C1 ZINC000366339250 386369973 /nfs/dbraw/zinc/36/99/73/386369973.db2.gz KGDDQWOQKYQPHL-VIFPVBQESA-N 0 3 239.319 0.836 20 0 BCADHN C[C@H](NC(=O)[C@H]1CCCCN1)c1cnn(C)c1 ZINC000237517187 386387216 /nfs/dbraw/zinc/38/72/16/386387216.db2.gz BQVLDQPPJMYYHN-GXSJLCMTSA-N 0 3 236.319 0.739 20 0 BCADHN CN(C)CCN(C)Cc1cnc2cnccn12 ZINC000289919291 386372409 /nfs/dbraw/zinc/37/24/09/386372409.db2.gz VQOYNFDCKCKMJC-UHFFFAOYSA-N 0 3 233.319 0.723 20 0 BCADHN CCN(CCNC(=O)c1ncn(C)n1)C1CC1 ZINC000289925560 386372792 /nfs/dbraw/zinc/37/27/92/386372792.db2.gz WASSNPXCPLNPBU-UHFFFAOYSA-N 0 3 237.307 0.029 20 0 BCADHN CN(C)C[C@@H]1CN(C[C@H]2CCCOC2)CCO1 ZINC000336696126 386375231 /nfs/dbraw/zinc/37/52/31/386375231.db2.gz JTTPYSNPGKYDDW-CHWSQXEVSA-N 0 3 242.363 0.675 20 0 BCADHN Cc1cc(CC(=O)N2C[C@@H](C)NC[C@@H]2C)[nH]n1 ZINC000237436818 386378194 /nfs/dbraw/zinc/37/81/94/386378194.db2.gz GPOCUDMCZIVXIH-ZJUUUORDSA-N 0 3 236.319 0.469 20 0 BCADHN C[C@@H](O)C[C@@H](C)CNC(=O)/C=C/CN(C)C ZINC000265861583 386378172 /nfs/dbraw/zinc/37/81/72/386378172.db2.gz GSDOBDJNHOQHSG-XIJCSBCJSA-N 0 3 228.336 0.627 20 0 BCADHN C[C@@H](O)CCCN1CCSC[C@@H]1CCO ZINC000336696776 386378977 /nfs/dbraw/zinc/37/89/77/386378977.db2.gz OHUXFUVFFXOKRD-MNOVXSKESA-N 0 3 233.377 0.947 20 0 BCADHN CO[C@@H]1CN(CCN2CCCCC2)C[C@H]1OC ZINC000336697086 386379396 /nfs/dbraw/zinc/37/93/96/386379396.db2.gz RDALRAAVSVXKGM-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H](CNC(=O)c1cn(C)nn1)N(C)C1CC1 ZINC000290046518 386387547 /nfs/dbraw/zinc/38/75/47/386387547.db2.gz ZKHUHRVYNVJLAZ-MRVPVSSYSA-N 0 3 237.307 0.028 20 0 BCADHN C=Cn1cc(CN2C[C@H](O)C[C@H]2C)cn1 ZINC000334496550 386380870 /nfs/dbraw/zinc/38/08/70/386380870.db2.gz UKMYHDQGPCJQEU-MWLCHTKSSA-N 0 3 207.277 0.939 20 0 BCADHN CN(CCc1cnn(C)c1)CCn1cccn1 ZINC000265878003 386381043 /nfs/dbraw/zinc/38/10/43/386381043.db2.gz XOJWPMMINKRWMM-UHFFFAOYSA-N 0 3 233.319 0.791 20 0 BCADHN Cc1n[nH]cc1CN1CCCC[C@@H]1CC(N)=O ZINC000092589400 386384175 /nfs/dbraw/zinc/38/41/75/386384175.db2.gz RLAPKZARTWMQRZ-LLVKDONJSA-N 0 3 236.319 0.948 20 0 BCADHN CS(=O)(=O)N[C@@H]1CCN(CCC2CC2)C1 ZINC000336698570 386385177 /nfs/dbraw/zinc/38/51/77/386385177.db2.gz ROSXISAXRHTTCO-SNVBAGLBSA-N 0 3 232.349 0.410 20 0 BCADHN CC[C@H](C)CS(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000416498476 386328812 /nfs/dbraw/zinc/32/88/12/386328812.db2.gz XMFANPDWRORLDW-QWRGUYRKSA-N 0 3 248.392 0.904 20 0 BCADHN CN1CC[C@H](CNS(=O)(=O)CCC2CC2)C1 ZINC000416498127 386329201 /nfs/dbraw/zinc/32/92/01/386329201.db2.gz WNXDAQBFYFEDJE-LLVKDONJSA-N 0 3 246.376 0.658 20 0 BCADHN O=C1[C@H](N(CCO)CC2CC2)CCN1C1CC1 ZINC000336678170 386329750 /nfs/dbraw/zinc/32/97/50/386329750.db2.gz BGAICUPFKUUDLX-GFCCVEGCSA-N 0 3 238.331 0.454 20 0 BCADHN CO[C@H](C)CN1C[C@H](OC)[C@@H](OC)C1 ZINC000336683712 386330564 /nfs/dbraw/zinc/33/05/64/386330564.db2.gz JIWVGYJNJFUMMG-UTLUCORTSA-N 0 3 203.282 0.367 20 0 BCADHN CC[C@H](CO)N1CCN(CCC[C@H](C)O)CC1 ZINC000336684188 386332092 /nfs/dbraw/zinc/33/20/92/386332092.db2.gz FPEHSLHFKYAHRO-QWHCGFSZSA-N 0 3 244.379 0.536 20 0 BCADHN COC[C@H](C)N1CC[C@@H](N2CCCC2=O)C1 ZINC000336680315 386332614 /nfs/dbraw/zinc/33/26/14/386332614.db2.gz DWSZDALPPRUUQE-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN CCc1ccc([C@@H](CNC(=O)CN)N(C)C)cc1 ZINC000236991288 386334027 /nfs/dbraw/zinc/33/40/27/386334027.db2.gz JSSGCYFBAMSJAK-CYBMUJFWSA-N 0 3 249.358 0.927 20 0 BCADHN CC[C@H](CO)N1CCN(CC[C@H](C)O)CC1 ZINC000336680428 386334342 /nfs/dbraw/zinc/33/43/42/386334342.db2.gz QCICSHCATVLTLS-NWDGAFQWSA-N 0 3 230.352 0.146 20 0 BCADHN C[C@H]1CCN(CCCCO)[C@H](C(N)=O)C1 ZINC000187438182 386334392 /nfs/dbraw/zinc/33/43/92/386334392.db2.gz BCMXFPGCCWNADU-UWVGGRQHSA-N 0 3 214.309 0.345 20 0 BCADHN CCc1ccc([C@H](CNC(=O)CN)N(C)C)cc1 ZINC000236996767 386335728 /nfs/dbraw/zinc/33/57/28/386335728.db2.gz JSSGCYFBAMSJAK-ZDUSSCGKSA-N 0 3 249.358 0.927 20 0 BCADHN C[C@@H](CC(N)=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000339270426 386336962 /nfs/dbraw/zinc/33/69/62/386336962.db2.gz MIFAQWPRWPZVTE-IUCAKERBSA-N 0 3 241.335 0.097 20 0 BCADHN COCCNCCNC(=O)NCCC(C)C ZINC000416795680 386386213 /nfs/dbraw/zinc/38/62/13/386386213.db2.gz UOXAHIWEKVPYNG-UHFFFAOYSA-N 0 3 231.340 0.568 20 0 BCADHN CC(C)N(C)CC(=O)NCCCn1ccnc1 ZINC000299298224 386436845 /nfs/dbraw/zinc/43/68/45/386436845.db2.gz ACMXMDJYLHQZLP-UHFFFAOYSA-N 0 3 238.335 0.730 20 0 BCADHN CCCCCN(CCCC(=O)NC)CC(N)=O ZINC000519420649 386439413 /nfs/dbraw/zinc/43/94/13/386439413.db2.gz LYWYBKRMCOPLTE-UHFFFAOYSA-N 0 3 243.351 0.490 20 0 BCADHN CSCC(=O)NCCNc1ccncc1 ZINC000336733041 386440396 /nfs/dbraw/zinc/44/03/96/386440396.db2.gz LZPNURCUMQZEDT-UHFFFAOYSA-N 0 3 225.317 0.395 20 0 BCADHN CCOC[C@H](O)CN1CCSC[C@@H]1CCO ZINC000347538821 386444076 /nfs/dbraw/zinc/44/40/76/386444076.db2.gz SUDRIIWHZXTPLS-WDEREUQCSA-N 0 3 249.376 0.184 20 0 BCADHN CN(C)C1(CN(C)[C@@H]2CCCNC2=O)CCC1 ZINC000336722530 386446270 /nfs/dbraw/zinc/44/62/70/386446270.db2.gz BZSKUGNEZFLSEE-LLVKDONJSA-N 0 3 239.363 0.681 20 0 BCADHN Cc1cn[nH]c1CN[C@@H](C)C(=O)NCCF ZINC000336778143 386449383 /nfs/dbraw/zinc/44/93/83/386449383.db2.gz KLYJMRPFNLUWJB-QMMMGPOBSA-N 0 3 228.271 0.282 20 0 BCADHN CN(C)C[C@@H]1CN(CC2CCOCC2)CCO1 ZINC000336719568 386449670 /nfs/dbraw/zinc/44/96/70/386449670.db2.gz XXAQMCJQPJJZRY-CYBMUJFWSA-N 0 3 242.363 0.675 20 0 BCADHN C[C@H](Cn1cccn1)NC(=O)[C@@H](N)C1CCC1 ZINC000399194826 386450146 /nfs/dbraw/zinc/45/01/46/386450146.db2.gz RQZPXKGZFKEIOA-KOLCDFICSA-N 0 3 236.319 0.515 20 0 BCADHN CN(C[C@@H]1CCCCO1)C[C@H]1COCCO1 ZINC000336699959 386388337 /nfs/dbraw/zinc/38/83/37/386388337.db2.gz JWRNBUROADXKIP-RYUDHWBXSA-N 0 3 229.320 0.903 20 0 BCADHN C[C@@H](O)CN(CCC(N)=O)Cc1ccccc1 ZINC000266012413 386388799 /nfs/dbraw/zinc/38/87/99/386388799.db2.gz SZMLSBKHNSLYBH-LLVKDONJSA-N 0 3 236.315 0.745 20 0 BCADHN Cc1cnc(CN2CCCN(C)CC2)cn1 ZINC000336703838 386389134 /nfs/dbraw/zinc/38/91/34/386389134.db2.gz OUFRGGWGEQPDEN-UHFFFAOYSA-N 0 3 220.320 0.923 20 0 BCADHN C[C@@H](N[C@H](CC(N)=O)C1CCCCC1)C(N)=O ZINC000181996238 386389500 /nfs/dbraw/zinc/38/95/00/386389500.db2.gz JCBRRGBAPBIEES-PSASIEDQSA-N 0 3 241.335 0.274 20 0 BCADHN C[C@H](O)CN(CCC(N)=O)Cc1ccccc1 ZINC000266012416 386389635 /nfs/dbraw/zinc/38/96/35/386389635.db2.gz SZMLSBKHNSLYBH-NSHDSACASA-N 0 3 236.315 0.745 20 0 BCADHN CCN(C)CCNC(=O)C[C@](C)(O)C1CC1 ZINC000339370160 386390491 /nfs/dbraw/zinc/39/04/91/386390491.db2.gz PMISKBFFOBPNMO-LBPRGKRZSA-N 0 3 228.336 0.605 20 0 BCADHN Cc1ccncc1CN1[C@@H](CO)CC[C@H]1CO ZINC000347354190 386392941 /nfs/dbraw/zinc/39/29/41/386392941.db2.gz ZFNMJGOUEJJOIB-BETUJISGSA-N 0 3 236.315 0.708 20 0 BCADHN CCc1nnc(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2)s1 ZINC000647891597 386394236 /nfs/dbraw/zinc/39/42/36/386394236.db2.gz VCQUAVMOLXAFCL-QYNIQEEDSA-N 0 3 238.316 0.789 20 0 BCADHN Cn1cc([C@H](CO)NC[C@H](O)C(C)(C)C)cn1 ZINC000290114579 386396242 /nfs/dbraw/zinc/39/62/42/386396242.db2.gz YOPANCGNBXTXGL-QWRGUYRKSA-N 0 3 241.335 0.450 20 0 BCADHN CCOCCCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000416805636 386396593 /nfs/dbraw/zinc/39/65/93/386396593.db2.gz CVPGWXATZKKHHV-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN COCCn1cc(CN[C@@H](C)CN(C)C)cn1 ZINC000290106343 386396978 /nfs/dbraw/zinc/39/69/78/386396978.db2.gz KSQMTQWAVVIUTM-NSHDSACASA-N 0 3 240.351 0.569 20 0 BCADHN Cc1nc(CCNC(=O)C2(N)CC2)sc1C ZINC000237632374 386398300 /nfs/dbraw/zinc/39/83/00/386398300.db2.gz YITUKRYGBADHIU-UHFFFAOYSA-N 0 3 239.344 0.910 20 0 BCADHN C[C@@H](NC(=O)/C=C/CN(C)C)[C@@H]1CCOC1 ZINC000266106278 386398856 /nfs/dbraw/zinc/39/88/56/386398856.db2.gz CHGVRKBZYWRJAR-XKFHPXPTSA-N 0 3 226.320 0.645 20 0 BCADHN Cc1c[nH]nc1CNC[C@H](CO)C1CC1 ZINC000336732626 386401096 /nfs/dbraw/zinc/40/10/96/386401096.db2.gz LOVYBHZQZCJTPZ-SNVBAGLBSA-N 0 3 209.293 0.826 20 0 BCADHN O=C1C[C@H]2CC[C@@H](CN1)N2C[C@H]1CCCO1 ZINC000336701181 386404202 /nfs/dbraw/zinc/40/42/02/386404202.db2.gz LZVUZVJLICHETG-OUAUKWLOSA-N 0 3 224.304 0.518 20 0 BCADHN Cc1ccc(CNC(=O)C(N)C(F)(F)F)cn1 ZINC000353428803 386404443 /nfs/dbraw/zinc/40/44/43/386404443.db2.gz NZTHNNGVZSZZLR-QMMMGPOBSA-N 0 3 247.220 0.896 20 0 BCADHN Cn1cncc1CCN1CCC(CO)CC1 ZINC000290189938 386404500 /nfs/dbraw/zinc/40/45/00/386404500.db2.gz ZZROJPHXLKDBJR-UHFFFAOYSA-N 0 3 223.320 0.667 20 0 BCADHN O=C1CN(C[C@@H]2CCOC2)[C@H]2CCCC[C@@H]2N1 ZINC000336701546 386404656 /nfs/dbraw/zinc/40/46/56/386404656.db2.gz LRAAVXDASONFDD-SRVKXCTJSA-N 0 3 238.331 0.766 20 0 BCADHN O=C1C[C@H]2CC[C@@H](CN1)N2C[C@@H]1CCCO1 ZINC000336701186 386405111 /nfs/dbraw/zinc/40/51/11/386405111.db2.gz LZVUZVJLICHETG-VWYCJHECSA-N 0 3 224.304 0.518 20 0 BCADHN O=C1CN(C[C@@H]2CCOC2)[C@@H]2CCCC[C@H]2N1 ZINC000336701544 386405311 /nfs/dbraw/zinc/40/53/11/386405311.db2.gz LRAAVXDASONFDD-QJPTWQEYSA-N 0 3 238.331 0.766 20 0 BCADHN CN(C)CC1(NC(=O)[C@@H]2CCOC2)CCC1 ZINC000339399800 386405632 /nfs/dbraw/zinc/40/56/32/386405632.db2.gz KVAGNZBHXVMKNF-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CN(C)CC1(NC(=O)[C@@H]2CCCO2)CCC1 ZINC000339400453 386408317 /nfs/dbraw/zinc/40/83/17/386408317.db2.gz PCYWPQWLIMCGJQ-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN C1=CCN([C@H]2CCN(c3cnccn3)C2)C1 ZINC000266199249 386411692 /nfs/dbraw/zinc/41/16/92/386411692.db2.gz DFRGRVSCXDMHNM-NSHDSACASA-N 0 3 216.288 0.927 20 0 BCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC ZINC000340617959 386411947 /nfs/dbraw/zinc/41/19/47/386411947.db2.gz WPCABGGWKQJMNW-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN COC[C@H]1CCCN(CC(=O)N(C)C)C1 ZINC000112990576 386411855 /nfs/dbraw/zinc/41/18/55/386411855.db2.gz PQJHKNFYKGTZQE-JTQLQIEISA-N 0 3 214.309 0.433 20 0 BCADHN CC[C@H](C)N(CCO)C[C@H]1CCS(=O)(=O)C1 ZINC000347459860 386412824 /nfs/dbraw/zinc/41/28/24/386412824.db2.gz SNTGTMQRTLIWFW-WDEREUQCSA-N 0 3 249.376 0.514 20 0 BCADHN Cc1cnn(CCN(C)[C@H]2CCOC2)c1 ZINC000336707783 386413635 /nfs/dbraw/zinc/41/36/35/386413635.db2.gz RWOSFHUZWBWCDG-NSHDSACASA-N 0 3 209.293 0.912 20 0 BCADHN COC(=O)C(C)(C)CNC(=O)[C@@H](N)C1CCC1 ZINC000399118257 386413826 /nfs/dbraw/zinc/41/38/26/386413826.db2.gz GWGPXYAOTSOPTD-VIFPVBQESA-N 0 3 242.319 0.429 20 0 BCADHN COC[C@H](C)CN1CCCN(C(N)=O)CC1 ZINC000527354851 386415015 /nfs/dbraw/zinc/41/50/15/386415015.db2.gz 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BCADHN CCN(CCO)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000339421542 386421054 /nfs/dbraw/zinc/42/10/54/386421054.db2.gz AKAFGABQNDKFCF-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN CN(CCn1cncn1)C[C@H]1CCCCO1 ZINC000336709953 386422124 /nfs/dbraw/zinc/42/21/24/386422124.db2.gz YJBHSQRGEZCBMI-LLVKDONJSA-N 0 3 224.308 0.779 20 0 BCADHN c1ncn(CCN2CCC[C@@H]3COCC[C@@H]32)n1 ZINC000336709736 386422567 /nfs/dbraw/zinc/42/25/67/386422567.db2.gz PVPMRCYIIIDSGM-NEPJUHHUSA-N 0 3 236.319 0.779 20 0 BCADHN CCN(CCS(=O)(=O)N(C)C)CC(C)C ZINC000336710268 386424612 /nfs/dbraw/zinc/42/46/12/386424612.db2.gz TVSFHVCJYOOASA-UHFFFAOYSA-N 0 3 236.381 0.856 20 0 BCADHN Cc1c(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cnn1C ZINC000336710438 386426368 /nfs/dbraw/zinc/42/63/68/386426368.db2.gz KZYBBCJLASEIIB-UHTWSYAYSA-N 0 3 235.331 0.931 20 0 BCADHN Cc1cnc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cn1 ZINC000336710873 386426561 /nfs/dbraw/zinc/42/65/61/386426561.db2.gz LTNWUACWIPAVEV-UHTWSYAYSA-N 0 3 233.315 0.988 20 0 BCADHN COC[C@H](CCO)NC(=O)[C@H](C(C)C)N(C)C ZINC000339442197 386427104 /nfs/dbraw/zinc/42/71/04/386427104.db2.gz XCLGXVRXLLKTFC-QWRGUYRKSA-N 0 3 246.351 0.086 20 0 BCADHN C[C@H](O)CCN(C)C(=O)C(N)C(F)(F)F ZINC000336732807 386427249 /nfs/dbraw/zinc/42/72/49/386427249.db2.gz GEPPWXPRMQHPPL-NTSWFWBYSA-N 0 3 228.214 0.105 20 0 BCADHN CCN(CCC[C@H]1CCO1)CC(N)=O ZINC000639097270 386427701 /nfs/dbraw/zinc/42/77/01/386427701.db2.gz KDCPUOFOJMMJSL-VIFPVBQESA-N 0 3 200.282 0.363 20 0 BCADHN Cc1noc(CCCN(C)CCOCCO)n1 ZINC000336712826 386428483 /nfs/dbraw/zinc/42/84/83/386428483.db2.gz QYSUGLUBFKIQIQ-UHFFFAOYSA-N 0 3 243.307 0.251 20 0 BCADHN c1ncn(CCN2CCN(C3CCCC3)CC2)n1 ZINC000336713327 386429437 /nfs/dbraw/zinc/42/94/37/386429437.db2.gz PMNOZPZPEUHEIG-UHFFFAOYSA-N 0 3 249.362 0.838 20 0 BCADHN CC(C)N1CCN(CCN2CCCC2=O)CC1 ZINC000336712940 386429692 /nfs/dbraw/zinc/42/96/92/386429692.db2.gz SANRKDJBNYQBKM-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN COC(=O)C(C)(C)NC(=O)[C@H](C)NC1CC1 ZINC000394809185 386432898 /nfs/dbraw/zinc/43/28/98/386432898.db2.gz GKQZZKWSDZIQDQ-ZETCQYMHSA-N 0 3 228.292 0.195 20 0 BCADHN CC(C)(N)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000347472147 386433398 /nfs/dbraw/zinc/43/33/98/386433398.db2.gz IKSIHQRAGNTXJI-UHFFFAOYSA-N 0 3 235.287 0.139 20 0 BCADHN COC(=O)C(C)(C)NC(=O)[C@@H](C)NC1CC1 ZINC000394809179 386434287 /nfs/dbraw/zinc/43/42/87/386434287.db2.gz GKQZZKWSDZIQDQ-SSDOTTSWSA-N 0 3 228.292 0.195 20 0 BCADHN C[C@H](C(=O)NCCN(C)C1CC1)n1cccn1 ZINC000299286003 386435234 /nfs/dbraw/zinc/43/52/34/386435234.db2.gz WOXYNZLVNQCQKS-SNVBAGLBSA-N 0 3 236.319 0.655 20 0 BCADHN C[C@@H](O)CCN1CCC(N2CCNC2=O)CC1 ZINC000336717226 386435954 /nfs/dbraw/zinc/43/59/54/386435954.db2.gz YAXSOKMBIJYASN-SNVBAGLBSA-N 0 3 241.335 0.247 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN1C[C@H](C)[C@H]1C ZINC000339569426 386466681 /nfs/dbraw/zinc/46/66/81/386466681.db2.gz NILUGAGLFNDZHL-NNYUYHANSA-N 0 3 231.336 0.739 20 0 BCADHN CN(C)CCN(C)C(=O)C(=O)NC1CCCC1 ZINC000339542265 386468280 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MOBWEVUHLIKOPG-VIFPVBQESA-N 0 3 230.214 0.877 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc(F)cc1F ZINC000227344830 386476307 /nfs/dbraw/zinc/47/63/07/386476307.db2.gz IFMDENJKMJGMSZ-SECBINFHSA-N 0 3 230.214 0.877 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1cn[nH]c1 ZINC000061655627 386477022 /nfs/dbraw/zinc/47/70/22/386477022.db2.gz OLMUQSYYVXQOMI-SNVBAGLBSA-N 0 3 222.292 0.576 20 0 BCADHN CCOc1ccc(NC(=O)[C@@H](CN)OC)cc1 ZINC000227342231 386477248 /nfs/dbraw/zinc/47/72/48/386477248.db2.gz PHISVPUYUVWSFA-LLVKDONJSA-N 0 3 238.287 0.998 20 0 BCADHN COc1ccccc1NC(=O)[C@@H](CN)OC ZINC000227342219 386477377 /nfs/dbraw/zinc/47/73/77/386477377.db2.gz OTTZMQIQYAWLQC-SNVBAGLBSA-N 0 3 224.260 0.607 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)Cc1cnc(C)s1 ZINC000227366747 386478698 /nfs/dbraw/zinc/47/86/98/386478698.db2.gz NRFLXIGYJZGHEP-VIFPVBQESA-N 0 3 243.332 0.384 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CCc2ccccc21 ZINC000227351457 386478791 /nfs/dbraw/zinc/47/87/91/386478791.db2.gz SMNXFHMOSQQRNT-NEPJUHHUSA-N 0 3 234.299 0.764 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cccc(C(C)=O)c1 ZINC000227376903 386480913 /nfs/dbraw/zinc/48/09/13/386480913.db2.gz LCSLAWKQNGKLKT-NSHDSACASA-N 0 3 236.271 0.801 20 0 BCADHN CCO[C@@H]1COCC[C@@H]1N[C@@H](CC)C(N)=O ZINC000336779095 386481547 /nfs/dbraw/zinc/48/15/47/386481547.db2.gz NEFGMKNALTWRFX-LPEHRKFASA-N 0 3 230.308 0.034 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCOc2ccccc21 ZINC000227375557 386482111 /nfs/dbraw/zinc/48/21/11/386482111.db2.gz YALLKONOACBGBS-NSHDSACASA-N 0 3 236.271 0.386 20 0 BCADHN CN1CCC(NC(=O)[C@H](O)c2ccccc2)CC1 ZINC000266935429 386482330 /nfs/dbraw/zinc/48/23/30/386482330.db2.gz OPYYTXNDXDPOCX-CYBMUJFWSA-N 0 3 248.326 0.930 20 0 BCADHN CO[C@@H](CN)C(=O)N1Cc2ccccc2C1 ZINC000227380431 386482470 /nfs/dbraw/zinc/48/24/70/386482470.db2.gz WOCPHESXWNMHEW-NSHDSACASA-N 0 3 220.272 0.503 20 0 BCADHN CO[C@H](CN)C(=O)NCc1ccc(F)c(F)c1 ZINC000227378323 386482666 /nfs/dbraw/zinc/48/26/66/386482666.db2.gz WSIRSJXBZMVDEA-SNVBAGLBSA-N 0 3 244.241 0.555 20 0 BCADHN C[C@H](CN1C[C@H](O)[C@@H](O)C1)c1ccc(F)cc1 ZINC000278448846 386529085 /nfs/dbraw/zinc/52/90/85/386529085.db2.gz XKYHBBBIKPQSCI-ICCXJUOJSA-N 0 3 239.290 0.967 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000519546327 386483027 /nfs/dbraw/zinc/48/30/27/386483027.db2.gz RRPZJJPZHGCOSR-UTINFBMNSA-N 0 3 230.308 0.032 20 0 BCADHN CN(CCNC(=O)NCc1cccnn1)C1CC1 ZINC000278004468 386484033 /nfs/dbraw/zinc/48/40/33/386484033.db2.gz PLFIMYYYSDLAAX-UHFFFAOYSA-N 0 3 249.318 0.370 20 0 BCADHN CN(C)CCNC(=O)c1cn(C)nc1C1CC1 ZINC000290869661 386484478 /nfs/dbraw/zinc/48/44/78/386484478.db2.gz RJOIORSNXQSRAF-UHFFFAOYSA-N 0 3 236.319 0.589 20 0 BCADHN Cc1ccc(CNC(=O)C(C)(C)N)cn1 ZINC000059929771 386484512 /nfs/dbraw/zinc/48/45/12/386484512.db2.gz FIUMJLSSWBGYTO-UHFFFAOYSA-N 0 3 207.277 0.744 20 0 BCADHN CNCC(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000335433951 386491656 /nfs/dbraw/zinc/49/16/56/386491656.db2.gz MFKUFTXAKLLQGA-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CCOCC[C@@H](O)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339620016 386492220 /nfs/dbraw/zinc/49/22/20/386492220.db2.gz RQEJFOKELFXJNZ-FRRDWIJNSA-N 0 3 244.379 0.798 20 0 BCADHN CC(C)C[C@H](C)NC(=O)NC[C@@H]1CNCCO1 ZINC000417927638 386492318 /nfs/dbraw/zinc/49/23/18/386492318.db2.gz MFEIIUUATNSRHI-QWRGUYRKSA-N 0 3 243.351 0.709 20 0 BCADHN CCOCC[C@H](O)CN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339620015 386492491 /nfs/dbraw/zinc/49/24/91/386492491.db2.gz RQEJFOKELFXJNZ-AVGNSLFASA-N 0 3 244.379 0.798 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCCOCC1 ZINC000061920486 386493456 /nfs/dbraw/zinc/49/34/56/386493456.db2.gz XFTIMSUOUJFDSB-VIFPVBQESA-N 0 3 200.282 0.219 20 0 BCADHN CCOCC[C@H](O)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339620018 386493665 /nfs/dbraw/zinc/49/36/65/386493665.db2.gz RQEJFOKELFXJNZ-XQQFMLRXSA-N 0 3 244.379 0.798 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CCCO[C@H](C)C1 ZINC000061920221 386494481 /nfs/dbraw/zinc/49/44/81/386494481.db2.gz DZGWLJNJTOPZPC-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN CCN(CC)CC(=O)NCc1[nH]cnc1C ZINC000267090280 386495761 /nfs/dbraw/zinc/49/57/61/386495761.db2.gz LWMMPUHJZUVBBO-UHFFFAOYSA-N 0 3 224.308 0.676 20 0 BCADHN CO[C@@H]1CCCC[C@@H]1NCC(=O)N1CCC1 ZINC000336767920 386497903 /nfs/dbraw/zinc/49/79/03/386497903.db2.gz QCTKFTKCDAXAOE-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN Cc1cnn(C)c1CNC[C@H]1CC[C@H](CO)O1 ZINC000353715227 386497993 /nfs/dbraw/zinc/49/79/93/386497993.db2.gz XOXYWHKOPOUCIU-GHMZBOCLSA-N 0 3 239.319 0.358 20 0 BCADHN CC(C)[C@@H]1CCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000135287922 386499958 /nfs/dbraw/zinc/49/99/58/386499958.db2.gz HVCIMKPMUBGLEW-NEPJUHHUSA-N 0 3 240.347 0.869 20 0 BCADHN Cc1nc(C(=O)N(C)[C@H]2CCCN(C)C2)c[nH]1 ZINC000267172390 386503245 /nfs/dbraw/zinc/50/32/45/386503245.db2.gz MEWDNZJVYFIBSZ-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN Cc1ncc(C(=O)N(C)[C@H]2CCCN(C)C2)[nH]1 ZINC000267172390 386503250 /nfs/dbraw/zinc/50/32/50/386503250.db2.gz MEWDNZJVYFIBSZ-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN Cn1cc(CN2CC[C@H](N3CCCCC3)C2)nn1 ZINC000336783956 386507057 /nfs/dbraw/zinc/50/70/57/386507057.db2.gz MOOMUOKCDKVSIR-ZDUSSCGKSA-N 0 3 249.362 0.875 20 0 BCADHN NC(=O)CCN[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000519601049 386507029 /nfs/dbraw/zinc/50/70/29/386507029.db2.gz ZHQQOACFUHSODT-SNVBAGLBSA-N 0 3 247.298 0.257 20 0 BCADHN CC[C@@H](O)CNCc1cnn(CCOC)c1 ZINC000336781766 386508831 /nfs/dbraw/zinc/50/88/31/386508831.db2.gz VOQJRHQHXGXACS-LLVKDONJSA-N 0 3 227.308 0.390 20 0 BCADHN C[C@H](CC(N)=O)NCc1ccc(CO)c(F)c1 ZINC000267197067 386509547 /nfs/dbraw/zinc/50/95/47/386509547.db2.gz FBYXRTRDJCIIFA-MRVPVSSYSA-N 0 3 240.278 0.672 20 0 BCADHN C[C@@H](NCCc1cn[nH]n1)c1cnn(C)c1 ZINC000647971714 386509941 /nfs/dbraw/zinc/50/99/41/386509941.db2.gz UQROJNXAOZNVBV-MRVPVSSYSA-N 0 3 220.280 0.432 20 0 BCADHN CCO[C@H](C)C(=O)NC[C@H](C)N(C)C ZINC000343228493 386510602 /nfs/dbraw/zinc/51/06/02/386510602.db2.gz VOPWCOGEOBDUEB-DTWKUNHWSA-N 0 3 202.298 0.478 20 0 BCADHN CC[C@@H]1C[C@H](NC(=O)C(C)(C)N)CCO1 ZINC000335445783 386512339 /nfs/dbraw/zinc/51/23/39/386512339.db2.gz PFNFMSKGHLNIOG-RKDXNWHRSA-N 0 3 214.309 0.798 20 0 BCADHN Cc1ncc(CN[C@@H]2CO[C@@H](C)C2)n1C ZINC000519639773 386514149 /nfs/dbraw/zinc/51/41/49/386514149.db2.gz BGKXGHZIFMRTOL-WPRPVWTQSA-N 0 3 209.293 0.996 20 0 BCADHN COc1cccc(C)c1NC(=O)[C@@H](CN)OC ZINC000519642558 386517271 /nfs/dbraw/zinc/51/72/71/386517271.db2.gz PXJKOXZXAZXNQD-SNVBAGLBSA-N 0 3 238.287 0.916 20 0 BCADHN CC[C@]1(C)CN(CCc2c[nH]nn2)CCO1 ZINC000647972157 386520900 /nfs/dbraw/zinc/52/09/00/386520900.db2.gz NEOWNJFSHLQXSV-LLVKDONJSA-N 0 3 224.308 0.848 20 0 BCADHN CO[C@H](C)[C@@H](C)NC[C@@H]1CCCCS1(=O)=O ZINC000336754762 386522154 /nfs/dbraw/zinc/52/21/54/386522154.db2.gz FYYOYTCPEHKSCD-MXWKQRLJSA-N 0 3 249.376 0.967 20 0 BCADHN CC(C)[C@@]1(CO)CCCN([C@H](C)C(N)=O)C1 ZINC000339703029 386522958 /nfs/dbraw/zinc/52/29/58/386522958.db2.gz UYYNXUYQYOZWJO-PWSUYJOCSA-N 0 3 228.336 0.591 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)[C@@]1(C)C[C@H]1F ZINC000399370560 386525149 /nfs/dbraw/zinc/52/51/49/386525149.db2.gz UWLMQXXKOSBALU-IEBDPFPHSA-N 0 3 232.299 0.163 20 0 BCADHN COCc1ccc(CN2C[C@@H](O)[C@H](O)C2)cc1 ZINC000278425723 386526495 /nfs/dbraw/zinc/52/64/95/386526495.db2.gz SGHDSDCCOLFBDP-CHWSQXEVSA-N 0 3 237.299 0.370 20 0 BCADHN O=C(COC1CNC1)N1CCCCCC1 ZINC000062809877 386526893 /nfs/dbraw/zinc/52/68/93/386526893.db2.gz XLCVZHMAKCMCPW-UHFFFAOYSA-N 0 3 212.293 0.377 20 0 BCADHN CO[C@H]1CCN(CCN2CCNC2=O)[C@@H](C)C1 ZINC000336721200 386453556 /nfs/dbraw/zinc/45/35/56/386453556.db2.gz SLOTYPYEBIRFRQ-QWRGUYRKSA-N 0 3 241.335 0.511 20 0 BCADHN CCO[C@H]1C[C@@H](N(C)C(=O)[C@H](C)N)C1(C)C ZINC000161553474 386454762 /nfs/dbraw/zinc/45/47/62/386454762.db2.gz SSDOATABEPDFPL-AEJSXWLSSA-N 0 3 228.336 0.996 20 0 BCADHN C[C@H](N)C(=O)N(C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000366389284 386456834 /nfs/dbraw/zinc/45/68/34/386456834.db2.gz OLFNTHNZOWOHME-SGIHWFKDSA-N 0 3 226.320 0.606 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCC(C2CC2)CC1 ZINC000366392648 386457240 /nfs/dbraw/zinc/45/72/40/386457240.db2.gz AJOSIFHMTSYNSQ-QMMMGPOBSA-N 0 3 239.319 0.692 20 0 BCADHN CC(C)OC[C@H](O)CN1CCN(C)CC1(C)C ZINC000347581103 386457643 /nfs/dbraw/zinc/45/76/43/386457643.db2.gz DMSXRDVYELXOTF-GFCCVEGCSA-N 0 3 244.379 0.798 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCN(C)CC1(C)C ZINC000347581110 386458113 /nfs/dbraw/zinc/45/81/13/386458113.db2.gz DMSXRDVYELXOTF-LBPRGKRZSA-N 0 3 244.379 0.798 20 0 BCADHN CCOCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452170638 386458184 /nfs/dbraw/zinc/45/81/84/386458184.db2.gz LWSQABTZAOPDQN-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](C(=O)NC[C@@H]1CNCCO1)C(C)(C)C ZINC000399223860 386459855 /nfs/dbraw/zinc/45/98/55/386459855.db2.gz WIHOOYDHQSSOJB-ZJUUUORDSA-N 0 3 228.336 0.773 20 0 BCADHN Cc1cnc(C(=O)NCC2(N(C)C)CC2)o1 ZINC000417130180 386460146 /nfs/dbraw/zinc/46/01/46/386460146.db2.gz BAANCKQFVREXAK-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN C[C@@H](C(=O)NC[C@@H]1CNCCO1)C(C)(C)C ZINC000399223851 386461005 /nfs/dbraw/zinc/46/10/05/386461005.db2.gz WIHOOYDHQSSOJB-UWVGGRQHSA-N 0 3 228.336 0.773 20 0 BCADHN CCOC[C@H](O)CN[C@@H](CO)c1ccsc1 ZINC000336778374 386461161 /nfs/dbraw/zinc/46/11/61/386461161.db2.gz LFFKUMJHVFSRNU-MNOVXSKESA-N 0 3 245.344 0.769 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000335285500 386463293 /nfs/dbraw/zinc/46/32/93/386463293.db2.gz YGRXTYSEZTWJEL-DTWKUNHWSA-N 0 3 216.244 0.849 20 0 BCADHN CC1(C)C[C@H](NCc2ccc(C(N)=O)nc2)CO1 ZINC000417935341 386574982 /nfs/dbraw/zinc/57/49/82/386574982.db2.gz POQNMHVPDXKKRV-JTQLQIEISA-N 0 3 249.314 0.838 20 0 BCADHN C[C@@H](O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000335411569 386576133 /nfs/dbraw/zinc/57/61/33/386576133.db2.gz RRFMIYVRZAFMAY-PWSUYJOCSA-N 0 3 226.320 0.312 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1cc[nH]n1 ZINC000103117706 386578001 /nfs/dbraw/zinc/57/80/01/386578001.db2.gz MYCUVPBITXKJIP-UHFFFAOYSA-N 0 3 222.292 0.578 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1ccn[nH]1 ZINC000103117706 386578007 /nfs/dbraw/zinc/57/80/07/386578007.db2.gz MYCUVPBITXKJIP-UHFFFAOYSA-N 0 3 222.292 0.578 20 0 BCADHN CCc1ccccc1CCN1C[C@@H](O)[C@H](O)C1 ZINC000278752202 386579252 /nfs/dbraw/zinc/57/92/52/386579252.db2.gz MESIYFSOCXDNEI-ZIAGYGMSSA-N 0 3 235.327 0.829 20 0 BCADHN CN(C[C@H](O)CSc1nccn1C)C1CC1 ZINC000290545757 386598309 /nfs/dbraw/zinc/59/83/09/386598309.db2.gz FLRVOYSFPJPTJI-JTQLQIEISA-N 0 3 241.360 0.967 20 0 BCADHN CSCCCN1CCN(CCO)[C@@H](C)C1 ZINC000187705193 386580728 /nfs/dbraw/zinc/58/07/28/386580728.db2.gz PDOCIZVFRSQTCG-NSHDSACASA-N 0 3 232.393 0.738 20 0 BCADHN Cc1cn[nH]c1CN[C@H]1CCCCNC1=O ZINC000289810392 386580762 /nfs/dbraw/zinc/58/07/62/386580762.db2.gz IUXZSRKUWGMIEF-VIFPVBQESA-N 0 3 222.292 0.476 20 0 BCADHN C[C@H]1[C@@H](NC(=O)CO)CCN1Cc1ccccc1 ZINC000291785462 386581259 /nfs/dbraw/zinc/58/12/59/386581259.db2.gz OFEHYZWZLPYDGE-AAEUAGOBSA-N 0 3 248.326 0.758 20 0 BCADHN CSCCN1CCN(CCO)[C@H](C)C1 ZINC000187704539 386581882 /nfs/dbraw/zinc/58/18/82/386581882.db2.gz SGDKDIYUCUVXQD-SNVBAGLBSA-N 0 3 218.366 0.348 20 0 BCADHN CCOC[C@H](O)CN1CC[C@H](n2cccn2)C1 ZINC000291775056 386582032 /nfs/dbraw/zinc/58/20/32/386582032.db2.gz LYKAPERSQBAHSI-NWDGAFQWSA-N 0 3 239.319 0.527 20 0 BCADHN CN(C)CC(C)(C)NC(=O)[C@H]1C[C@]12CCOC2 ZINC000457249358 386582062 /nfs/dbraw/zinc/58/20/62/386582062.db2.gz UGSLKXJLMUXICR-MFKMUULPSA-N 0 3 240.347 0.869 20 0 BCADHN COC(=O)c1cc(CNC[C@H](O)C2CC2)c[nH]1 ZINC000267776491 386584722 /nfs/dbraw/zinc/58/47/22/386584722.db2.gz BEHLIJRFPJXAAK-NSHDSACASA-N 0 3 238.287 0.662 20 0 BCADHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)NC1CC1 ZINC000408431591 386584757 /nfs/dbraw/zinc/58/47/57/386584757.db2.gz ATXZDTVHVFPUCK-FOGDFJRCSA-N 0 3 240.347 0.746 20 0 BCADHN CSC[C@H](O)CN1CCC[C@H](O)C1 ZINC000187727368 386585969 /nfs/dbraw/zinc/58/59/69/386585969.db2.gz RRAWFDJOMPLYGZ-DTWKUNHWSA-N 0 3 205.323 0.167 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000335418283 386586213 /nfs/dbraw/zinc/58/62/13/386586213.db2.gz QHVJEDLBVYGTSA-QMMMGPOBSA-N 0 3 241.335 0.239 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000335418282 386587141 /nfs/dbraw/zinc/58/71/41/386587141.db2.gz QHVJEDLBVYGTSA-MRVPVSSYSA-N 0 3 241.335 0.239 20 0 BCADHN COC[C@H](C)CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000417715233 386589803 /nfs/dbraw/zinc/58/98/03/386589803.db2.gz DKFKKXFGFUQHFZ-MXWKQRLJSA-N 0 3 243.351 0.661 20 0 BCADHN Cc1cnc(C(=O)NCCN(C)C2CC2)o1 ZINC000291848381 386590037 /nfs/dbraw/zinc/59/00/37/386590037.db2.gz URNYQSZABLSCSA-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN C[C@@H](C[NH3+])NC(=O)NCc1ccc([O-])c(F)c1 ZINC000417715858 386590678 /nfs/dbraw/zinc/59/06/78/386590678.db2.gz JHADNEPHZLXEFO-ZETCQYMHSA-N 0 3 241.266 0.678 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C[C@H](C)n1cccn1 ZINC000424846494 386598687 /nfs/dbraw/zinc/59/86/87/386598687.db2.gz JOTVGCGAORYTNP-QWRGUYRKSA-N 0 3 238.335 0.901 20 0 BCADHN O=C1CCCN1CCN1CC[C@H](n2cccn2)C1 ZINC000291844720 386591201 /nfs/dbraw/zinc/59/12/01/386591201.db2.gz OTNAGARGMFCDOW-LBPRGKRZSA-N 0 3 248.330 0.752 20 0 BCADHN COC[C@H](C)CNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000417715234 386591324 /nfs/dbraw/zinc/59/13/24/386591324.db2.gz DKFKKXFGFUQHFZ-OUAUKWLOSA-N 0 3 243.351 0.661 20 0 BCADHN Cc1ncc(C(=O)N2C[C@@H](C)N[C@H](C)C2)[nH]1 ZINC000335422011 386594386 /nfs/dbraw/zinc/59/43/86/386594386.db2.gz GSBCJXGVNYZNIS-HTQZYQBOSA-N 0 3 222.292 0.541 20 0 BCADHN CSC[C@@H](O)CN1CC([C@H]2CCOC2)C1 ZINC000366490478 386594941 /nfs/dbraw/zinc/59/49/41/386594941.db2.gz IWIBZBWWFGSPBU-ONGXEEELSA-N 0 3 231.361 0.679 20 0 BCADHN CN(C)CCN(C)C(=O)/C=C/c1ccnn1C ZINC000267893669 386595255 /nfs/dbraw/zinc/59/52/55/386595255.db2.gz VGTMQRXXAYNGGJ-AATRIKPKSA-N 0 3 236.319 0.453 20 0 BCADHN CC[C@@H](C(=O)N(C)C[C@H](C)C(=O)NC)N(C)C ZINC000123151723 386532856 /nfs/dbraw/zinc/53/28/56/386532856.db2.gz MJVDOVXTOVKSHH-UWVGGRQHSA-N 0 3 243.351 0.167 20 0 BCADHN Cc1nc(F)ccc1CNC[C@@]1(O)CCOC1 ZINC000278485318 386533055 /nfs/dbraw/zinc/53/30/55/386533055.db2.gz LILATBHWYAGUOM-LBPRGKRZSA-N 0 3 240.278 0.770 20 0 BCADHN CC[C@H](N[C@@H](C)Cn1cccn1)C(N)=O ZINC000061676938 386533278 /nfs/dbraw/zinc/53/32/78/386533278.db2.gz LTADVZJDVPRFOY-IUCAKERBSA-N 0 3 210.281 0.125 20 0 BCADHN CC[C@@H](C(N)=O)N(CC)C[C@@H]1CCCO1 ZINC000061679183 386533304 /nfs/dbraw/zinc/53/33/04/386533304.db2.gz IEDNEYNPCQKKGQ-UWVGGRQHSA-N 0 3 214.309 0.751 20 0 BCADHN Cc1cc(=O)n(C)cc1NC(=O)CNCC1CC1 ZINC000262626974 386535459 /nfs/dbraw/zinc/53/54/59/386535459.db2.gz LPECNLMBOVLFBT-UHFFFAOYSA-N 0 3 249.314 0.632 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C23CCCN2CCC3)CO1 ZINC000335457668 386536015 /nfs/dbraw/zinc/53/60/15/386536015.db2.gz QMEYTLDHKDIMAJ-QWRGUYRKSA-N 0 3 238.331 0.908 20 0 BCADHN CN(C)[C@H]1CN(C(=O)NCC2CCC2)C[C@@H]1O ZINC000647995125 386538343 /nfs/dbraw/zinc/53/83/43/386538343.db2.gz YGVKSAHJTJPQKC-QWRGUYRKSA-N 0 3 241.335 0.103 20 0 BCADHN C[C@H](N[C@H]1CN(C)C[C@H]1C)c1ncn(C)n1 ZINC000336755623 386542665 /nfs/dbraw/zinc/54/26/65/386542665.db2.gz XSJBMBGXYZCEEJ-UTLUCORTSA-N 0 3 223.324 0.416 20 0 BCADHN O=c1cc2c(n[nH]1)CCN(C[C@@H]1CCC=CO1)C2 ZINC000278542705 386543398 /nfs/dbraw/zinc/54/33/98/386543398.db2.gz XQQWKHHZWQSMLX-NSHDSACASA-N 0 3 247.298 0.821 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1cncn1C ZINC000291429154 386545649 /nfs/dbraw/zinc/54/56/49/386545649.db2.gz DZTJPHFENKWVDD-JTQLQIEISA-N 0 3 236.319 0.586 20 0 BCADHN Cc1ncc(CNCCNc2cnccn2)n1C ZINC000519782428 386549925 /nfs/dbraw/zinc/54/99/25/386549925.db2.gz VSERLNIHHPEGAP-UHFFFAOYSA-N 0 3 246.318 0.720 20 0 BCADHN Cc1cn[nH]c1CN(C)CC1(CO)CC1 ZINC000291506154 386550896 /nfs/dbraw/zinc/55/08/96/386550896.db2.gz HUFGIICNYAKHOH-UHFFFAOYSA-N 0 3 209.293 0.922 20 0 BCADHN CO[C@@H](CN[C@@H](C)CS(C)(=O)=O)C(C)C ZINC000336756121 386553755 /nfs/dbraw/zinc/55/37/55/386553755.db2.gz IKTXKMBEGXHRBT-UWVGGRQHSA-N 0 3 237.365 0.680 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCCOCC1 ZINC000061920610 386555173 /nfs/dbraw/zinc/55/51/73/386555173.db2.gz QFPAFRUZUMPQAW-LLVKDONJSA-N 0 3 214.309 0.753 20 0 BCADHN COC[C@@H](O)CN1CCOC[C@H]1C1CCC1 ZINC000519776248 386555523 /nfs/dbraw/zinc/55/55/23/386555523.db2.gz RMAAXMRVHBNFGL-RYUDHWBXSA-N 0 3 229.320 0.495 20 0 BCADHN Cn1ccnc1N1CCN(Cc2cnc[nH]2)CC1 ZINC000278627987 386556944 /nfs/dbraw/zinc/55/69/44/386556944.db2.gz NZNYFEDUIFBXPS-UHFFFAOYSA-N 0 3 246.318 0.465 20 0 BCADHN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ncccc1[O-] ZINC000519793690 386558037 /nfs/dbraw/zinc/55/80/37/386558037.db2.gz RJAGLKBVDSTKGC-RKDXNWHRSA-N 0 3 208.261 0.742 20 0 BCADHN COC[C@H](O)CN1CC[C@@H](n2cccn2)C1 ZINC000291633962 386561884 /nfs/dbraw/zinc/56/18/84/386561884.db2.gz DJGUXDWORCRWGU-GHMZBOCLSA-N 0 3 225.292 0.137 20 0 BCADHN COc1ccc([O-])c(C(=O)N(C)[C@H](C)C[NH3+])c1 ZINC000123731877 386562811 /nfs/dbraw/zinc/56/28/11/386562811.db2.gz XJSAHKFVJVVCOY-MRVPVSSYSA-N 0 3 238.287 0.820 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)CCCOC ZINC000062033652 386564412 /nfs/dbraw/zinc/56/44/12/386564412.db2.gz XJYKBWMKJADKHR-LLVKDONJSA-N 0 3 216.325 0.999 20 0 BCADHN COCCn1cc(CNCCC[C@@H](C)O)cn1 ZINC000278685452 386565891 /nfs/dbraw/zinc/56/58/91/386565891.db2.gz PLHUIPLYUIIIPN-LLVKDONJSA-N 0 3 241.335 0.780 20 0 BCADHN C[C@H](C(=O)N[C@@H](C)CN(C)C)N1CC(C)C1 ZINC000519833925 386567515 /nfs/dbraw/zinc/56/75/15/386567515.db2.gz OXKPWIREUDRZGE-WDEREUQCSA-N 0 3 227.352 0.393 20 0 BCADHN C[C@@H](CNC(=O)[C@@]1(C)C[C@H]1F)N(C)C ZINC000425317076 386568062 /nfs/dbraw/zinc/56/80/62/386568062.db2.gz QXNCKEWCSCIPHN-XKSSXDPKSA-N 0 3 202.273 0.801 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CCOC1)N(C)C ZINC000179228776 386622856 /nfs/dbraw/zinc/62/28/56/386622856.db2.gz KEMINHLCLOEIQF-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(C=O)[nH]1 ZINC000268171377 386625803 /nfs/dbraw/zinc/62/58/03/386625803.db2.gz PURXCKQMBKYZRU-NSHDSACASA-N 0 3 249.314 0.993 20 0 BCADHN C[C@H](O)CCN1CC[C@H](n2cncn2)C1 ZINC000644929748 386625855 /nfs/dbraw/zinc/62/58/55/386625855.db2.gz MIPYCVZEFQPVIB-UWVGGRQHSA-N 0 3 210.281 0.296 20 0 BCADHN CCN(CCn1c(C)csc1=O)[C@H](C)CO ZINC000292360190 386655794 /nfs/dbraw/zinc/65/57/94/386655794.db2.gz XWYYUOVOSYEBEJ-SECBINFHSA-N 0 3 244.360 0.921 20 0 BCADHN Cc1ncc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)[nH]1 ZINC000268236213 386633268 /nfs/dbraw/zinc/63/32/68/386633268.db2.gz UABAHURJCPSBHJ-PELKAZGASA-N 0 3 248.330 0.931 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000268237229 386634272 /nfs/dbraw/zinc/63/42/72/386634272.db2.gz ODDFGUSFXNPGLC-QPUJVOFHSA-N 0 3 248.330 0.931 20 0 BCADHN CN1CCC[C@@H](NC(=O)N[C@@H]2CC23CC3)C1 ZINC000644940604 386636931 /nfs/dbraw/zinc/63/69/31/386636931.db2.gz UAQVSDHTOZUOFC-NXEZZACHSA-N 0 3 223.320 0.932 20 0 BCADHN Cn1nncc1CNC[C@H]1CCCn2ccnc21 ZINC000329261555 386643946 /nfs/dbraw/zinc/64/39/46/386643946.db2.gz FVCVVYGTNDNYOZ-SNVBAGLBSA-N 0 3 246.318 0.679 20 0 BCADHN CO[C@@]1(CNCc2cc[nH]c2)CCOC1 ZINC000156862871 386645611 /nfs/dbraw/zinc/64/56/11/386645611.db2.gz YEHFCQYIJQXUNN-LLVKDONJSA-N 0 3 210.277 0.910 20 0 BCADHN CCOC[C@@H](O)CNCc1cnc(C)nc1 ZINC000336782495 386645750 /nfs/dbraw/zinc/64/57/50/386645750.db2.gz XVEYTLANLNWEGV-NSHDSACASA-N 0 3 225.292 0.272 20 0 BCADHN COC(=O)[C@]1(C)CCN(CCn2cncn2)C1 ZINC000268379622 386649064 /nfs/dbraw/zinc/64/90/64/386649064.db2.gz UMLRIAJDTWJUGY-LLVKDONJSA-N 0 3 238.291 0.163 20 0 BCADHN CN1C(=O)N[C@@H]2CN(CC3(O)CCC3)CC[C@@H]21 ZINC000328938670 386650159 /nfs/dbraw/zinc/65/01/59/386650159.db2.gz DMRZWKOKKJELHD-ZJUUUORDSA-N 0 3 239.319 0.204 20 0 BCADHN C[C@H](CNC(=O)c1cncc(F)c1)N(C)C ZINC000268421804 386651186 /nfs/dbraw/zinc/65/11/86/386651186.db2.gz LHIKZHJKKRFPSU-MRVPVSSYSA-N 0 3 225.267 0.901 20 0 BCADHN C[C@@]1(C(=O)NC[C@@H]2CNCCO2)CC1(F)F ZINC000335515045 386651392 /nfs/dbraw/zinc/65/13/92/386651392.db2.gz GCCVALPKRRSPCI-CBAPKCEASA-N 0 3 234.246 0.136 20 0 BCADHN CC(C)[C@H](C(=O)NCc1nccn1C)N(C)C ZINC000268417492 386652820 /nfs/dbraw/zinc/65/28/20/386652820.db2.gz VWBUYBXKQWUKFK-LLVKDONJSA-N 0 3 238.335 0.623 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)NCCCCO)CCN1C ZINC000426082632 386653324 /nfs/dbraw/zinc/65/33/24/386653324.db2.gz ZTCLYFLYLPHFOG-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN CO[C@H](C)[C@@H](C)NC(=O)/C=C/CN(C)C ZINC000291914294 386599131 /nfs/dbraw/zinc/59/91/31/386599131.db2.gz SZMJLTLMZDLEJO-UHHSMLKOSA-N 0 3 214.309 0.644 20 0 BCADHN C[C@H](CO)N(C)C[C@@H](O)COc1ccccc1 ZINC000245620024 386599691 /nfs/dbraw/zinc/59/96/91/386599691.db2.gz NLYQURHGRUDLKI-VXGBXAGGSA-N 0 3 239.315 0.739 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NCC(C)C ZINC000336738868 386599876 /nfs/dbraw/zinc/59/98/76/386599876.db2.gz KQKGFAIFXBUTOC-QMMMGPOBSA-N 0 3 216.281 0.039 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425549170 386600650 /nfs/dbraw/zinc/60/06/50/386600650.db2.gz NTUOEHQMRQFXOD-SECBINFHSA-N 0 3 237.307 0.072 20 0 BCADHN CC[C@H](COC)NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000417727998 386601029 /nfs/dbraw/zinc/60/10/29/386601029.db2.gz OSUJYLBJYFLBAE-GARJFASQSA-N 0 3 243.351 0.803 20 0 BCADHN CSC[C@H](O)CN1CCSCC1 ZINC000187829580 386602903 /nfs/dbraw/zinc/60/29/03/386602903.db2.gz WCABHQYFSBDJFJ-MRVPVSSYSA-N 0 3 207.364 0.759 20 0 BCADHN NC(=O)CCN[C@H]1c2ccccc2C[C@H]1O ZINC000520230117 386607335 /nfs/dbraw/zinc/60/73/35/386607335.db2.gz BZHBPZVZMQLTBX-PWSUYJOCSA-N 0 3 220.272 0.110 20 0 BCADHN Cc1[nH]cnc1CC(=O)NC[C@@H](O)C(C)C ZINC000278948320 386608713 /nfs/dbraw/zinc/60/87/13/386608713.db2.gz VJEQWVSCQVVMMC-SNVBAGLBSA-N 0 3 225.292 0.394 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)c1cncs1 ZINC000228748047 386611027 /nfs/dbraw/zinc/61/10/27/386611027.db2.gz HOYFWRKJYNVEBI-SNVBAGLBSA-N 0 3 243.332 0.186 20 0 BCADHN COC[C@H](CCO)NCC1=CCCOC1 ZINC000336757807 386611153 /nfs/dbraw/zinc/61/11/53/386611153.db2.gz JMGGDFUCOTZTHG-NSHDSACASA-N 0 3 215.293 0.320 20 0 BCADHN CN(C[C@@H]1COCCO1)C[C@@H]1CCCC[C@H]1O ZINC000450701098 386611395 /nfs/dbraw/zinc/61/13/95/386611395.db2.gz VRHQYYRFMZAOIU-YNEHKIRRSA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000337120364 386612564 /nfs/dbraw/zinc/61/25/64/386612564.db2.gz 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DOSWDIAOYNTEJT-SNVBAGLBSA-N 0 3 221.304 0.937 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000187883087 386670394 /nfs/dbraw/zinc/67/03/94/386670394.db2.gz GDKKUQCZGIEAGQ-VHSXEESVSA-N 0 3 235.287 0.705 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@H](C)O)C[C@@H]1C ZINC000337209388 386670472 /nfs/dbraw/zinc/67/04/72/386670472.db2.gz SBIVVYNLSUWUAQ-LPEHRKFASA-N 0 3 215.293 0.498 20 0 BCADHN C[C@@H]1CC(NC(=O)C2(N)CCC2)C[C@@H](C)O1 ZINC000335526885 386670850 /nfs/dbraw/zinc/67/08/50/386670850.db2.gz AFZXLNMZNLEYMU-RKDXNWHRSA-N 0 3 226.320 0.940 20 0 BCADHN CN(C)CCn1nnnc1SCCF ZINC000340680934 386671221 /nfs/dbraw/zinc/67/12/21/386671221.db2.gz YKLHKAAIYXZTGO-UHFFFAOYSA-N 0 3 219.289 0.296 20 0 BCADHN C[C@@H](O)CN1[C@@H](C)CN(C[C@H](C)O)C[C@@H]1C ZINC000337243300 386673349 /nfs/dbraw/zinc/67/33/49/386673349.db2.gz NRZRRCMAGUXLTP-FIQHERPVSA-N 0 3 230.352 0.143 20 0 BCADHN CN(CCn1cncn1)C[C@H]1CCC[C@H]1O ZINC000330363505 386673810 /nfs/dbraw/zinc/67/38/10/386673810.db2.gz INEYKHLETSRZLF-GHMZBOCLSA-N 0 3 224.308 0.371 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NCc1cc[nH]n1 ZINC000520439846 386675004 /nfs/dbraw/zinc/67/50/04/386675004.db2.gz YRNARDWTTKEYHQ-JTQLQIEISA-N 0 3 237.307 0.303 20 0 BCADHN O=C1C[C@@]2(CCN(Cc3ccco3)C2)CN1 ZINC000279388395 386676577 /nfs/dbraw/zinc/67/65/77/386676577.db2.gz KAMBBMMTGKBAAB-LBPRGKRZSA-N 0 3 220.272 0.992 20 0 BCADHN O=C1[N-]C(=O)N2CC[N@H+](CC3CCC3)C[C@H]12 ZINC000329463775 386678950 /nfs/dbraw/zinc/67/89/50/386678950.db2.gz UMSWUVMWIFDFGS-SECBINFHSA-N 0 3 223.276 0.863 20 0 BCADHN O=C1[N-]C(=O)N2CC[N@@H+](CC3CCC3)C[C@H]12 ZINC000329463775 386678954 /nfs/dbraw/zinc/67/89/54/386678954.db2.gz UMSWUVMWIFDFGS-SECBINFHSA-N 0 3 223.276 0.863 20 0 BCADHN NC1(C(=O)N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000648088565 386680559 /nfs/dbraw/zinc/68/05/59/386680559.db2.gz QWSBKQQTWAKIFS-ZCFIWIBFSA-N 0 3 238.209 0.267 20 0 BCADHN CN(C)CCCNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000457377824 386681151 /nfs/dbraw/zinc/68/11/51/386681151.db2.gz YTZZMPJLGMRTMY-HBNTYKKESA-N 0 3 238.331 0.670 20 0 BCADHN CCN[C@@H](C)C(=O)NC1(C(N)=O)CCCCC1 ZINC000637936803 386683491 /nfs/dbraw/zinc/68/34/91/386683491.db2.gz HGNSGYSDYLUUBG-VIFPVBQESA-N 0 3 241.335 0.289 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)CCCn1ccnc1 ZINC000292523321 386684835 /nfs/dbraw/zinc/68/48/35/386684835.db2.gz QSINZKOALAAWKR-LLVKDONJSA-N 0 3 238.335 0.715 20 0 BCADHN Cc1cc(C(=O)N(C)[C@@H]2CN3CCC2CC3)[nH]n1 ZINC000329483021 386686382 /nfs/dbraw/zinc/68/63/82/386686382.db2.gz QCMDYAFGZKEUJF-GFCCVEGCSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1cc(C(=O)N(C)[C@@H]2CN3CCC2CC3)n[nH]1 ZINC000329483021 386686386 /nfs/dbraw/zinc/68/63/86/386686386.db2.gz QCMDYAFGZKEUJF-GFCCVEGCSA-N 0 3 248.330 0.884 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cn3c(n2)CCC3)[C@H]1C ZINC000335470658 386688391 /nfs/dbraw/zinc/68/83/91/386688391.db2.gz PZCWBOVIFQAKNQ-ZJUUUORDSA-N 0 3 248.330 0.652 20 0 BCADHN CCOC[C@H](O)CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000357024563 386691223 /nfs/dbraw/zinc/69/12/23/386691223.db2.gz NNSRSGMJRCWBRQ-SDDRHHMPSA-N 0 3 230.352 0.408 20 0 BCADHN CCOC[C@H](O)CN1CCN(C)[C@@H](C)[C@H]1C ZINC000357024561 386692803 /nfs/dbraw/zinc/69/28/03/386692803.db2.gz NNSRSGMJRCWBRQ-QJPTWQEYSA-N 0 3 230.352 0.408 20 0 BCADHN Cc1c[nH]nc1CNC[C@@H]1CN(C)CCN1C ZINC000352840921 386693033 /nfs/dbraw/zinc/69/30/33/386693033.db2.gz PNGDXMRUCDWAQC-LLVKDONJSA-N 0 3 237.351 0.054 20 0 BCADHN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)CCN)C1 ZINC000247007055 386693982 /nfs/dbraw/zinc/69/39/82/386693982.db2.gz ZAOSLYWIVPZTMV-LSYCYVAJSA-N 0 3 246.376 0.531 20 0 BCADHN CC[C@@H](C(=O)NCCn1ccnc1C)N(C)C ZINC000268795567 386694686 /nfs/dbraw/zinc/69/46/86/386694686.db2.gz IBBHJRVASGCVKS-NSHDSACASA-N 0 3 238.335 0.648 20 0 BCADHN C[C@H](O)CN1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000337264841 386695719 /nfs/dbraw/zinc/69/57/19/386695719.db2.gz YBROCKCYEDNREJ-BJDJZHNGSA-N 0 3 229.320 0.636 20 0 BCADHN CCC[C@H](O)CN1CC[C@H](C)C[C@@H]1C(N)=O ZINC000450782141 386698971 /nfs/dbraw/zinc/69/89/71/386698971.db2.gz WJADTWFUMNRZPL-GARJFASQSA-N 0 3 228.336 0.733 20 0 BCADHN COC[C@@H](C)NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000417972466 386699852 /nfs/dbraw/zinc/69/98/52/386699852.db2.gz SUYIWALOADVCER-OPRDCNLKSA-N 0 3 229.324 0.413 20 0 BCADHN Cc1sccc1CN[C@@H]1COC[C@H]1O ZINC000295609000 386699886 /nfs/dbraw/zinc/69/98/86/386699886.db2.gz NSHKZBLPLQBNHI-NXEZZACHSA-N 0 3 213.302 0.906 20 0 BCADHN CCCN(C(=O)NCCOC)[C@H]1CCN(C)C1 ZINC000645096877 386712091 /nfs/dbraw/zinc/71/20/91/386712091.db2.gz HVXBPEGFRGKEGG-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN COC[C@@H](CO)NC[C@H](CC(C)C)OC ZINC000639125086 386705672 /nfs/dbraw/zinc/70/56/72/386705672.db2.gz OLCMNMKZGDTIGP-MNOVXSKESA-N 0 3 219.325 0.644 20 0 BCADHN CC[C@@H](C(=O)NCc1nnc(C)n1C)N(C)C ZINC000330416771 386707809 /nfs/dbraw/zinc/70/78/09/386707809.db2.gz DMWJHNIRFSEGIK-VIFPVBQESA-N 0 3 239.323 0.080 20 0 BCADHN CN(C)CC[C@@](C)(O)CNC(=O)[C@@H]1CC1(C)C ZINC000357200835 386735917 /nfs/dbraw/zinc/73/59/17/386735917.db2.gz ITAIRXPTSPLOJW-GXFFZTMASA-N 0 3 242.363 0.851 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@H]2CCC(=O)C2)C1 ZINC000335535867 386736191 /nfs/dbraw/zinc/73/61/91/386736191.db2.gz ZVKATTNPBIUPDX-QWRGUYRKSA-N 0 3 238.331 0.908 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)C2)C1 ZINC000335535865 386737052 /nfs/dbraw/zinc/73/70/52/386737052.db2.gz ZVKATTNPBIUPDX-MNOVXSKESA-N 0 3 238.331 0.908 20 0 BCADHN Cc1nocc1CNCCCc1cnn(C)n1 ZINC000292868189 386738907 /nfs/dbraw/zinc/73/89/07/386738907.db2.gz CYNSHDVZUYEEPZ-UHFFFAOYSA-N 0 3 235.291 0.834 20 0 BCADHN CC[C@H](N)C(=O)NCC(=O)Nc1ccccc1 ZINC000269032021 386739229 /nfs/dbraw/zinc/73/92/29/386739229.db2.gz AWHDUMPAQBRGCO-JTQLQIEISA-N 0 3 235.287 0.479 20 0 BCADHN Cc1cc(CN)cc(NC(=O)C(=O)N(C)C)c1 ZINC000335536068 386739318 /nfs/dbraw/zinc/73/93/18/386739318.db2.gz UJRQTMIZIKISSQ-UHFFFAOYSA-N 0 3 235.287 0.480 20 0 BCADHN CO[C@]1(C)C[C@H](NC(=O)CN)C1(C)C ZINC000121682771 386715032 /nfs/dbraw/zinc/71/50/32/386715032.db2.gz CKDAYEYPKKKYJP-OIBJUYFYSA-N 0 3 200.282 0.265 20 0 BCADHN OCCN(CCc1cn[nH]n1)Cc1ccccc1 ZINC000647962168 386740147 /nfs/dbraw/zinc/74/01/47/386740147.db2.gz QFSJNZJSJKWPBT-UHFFFAOYSA-N 0 3 246.314 0.842 20 0 BCADHN CN(CCc1cn[nH]n1)C[C@H]1CCCO1 ZINC000647959867 386720933 /nfs/dbraw/zinc/72/09/33/386720933.db2.gz RCGOJOSYLPWQJC-SNVBAGLBSA-N 0 3 210.281 0.458 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H](C)C(=O)NCCF ZINC000336760858 386722205 /nfs/dbraw/zinc/72/22/05/386722205.db2.gz MAAIUGPARAZXTQ-XHNCKOQMSA-N 0 3 220.288 0.474 20 0 BCADHN CC(C)[C@H]1OCCC[C@H]1CNC(=O)[C@@H](C)N ZINC000121809806 386722233 /nfs/dbraw/zinc/72/22/33/386722233.db2.gz QYVZZAIFPLTGLV-OUAUKWLOSA-N 0 3 228.336 0.901 20 0 BCADHN CN(C)C[C@H]1CCCN1c1ncnc2n[nH]cc21 ZINC000357133286 386722543 /nfs/dbraw/zinc/72/25/43/386722543.db2.gz WQXGAJCAZLUUNF-SECBINFHSA-N 0 3 246.318 0.883 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1cnc(C)nc1C ZINC000268945189 386722970 /nfs/dbraw/zinc/72/29/70/386722970.db2.gz UGPNUOCNTJZTKO-KCJUWKMLSA-N 0 3 239.319 0.751 20 0 BCADHN CCC[C@H](C(=O)NCc1c[nH]cn1)N(C)C ZINC000330519476 386747951 /nfs/dbraw/zinc/74/79/51/386747951.db2.gz HAPQXIMGOZCYGO-SNVBAGLBSA-N 0 3 224.308 0.756 20 0 BCADHN CCC[C@H](C(=O)NCc1cnc[nH]1)N(C)C ZINC000330519476 386747959 /nfs/dbraw/zinc/74/79/59/386747959.db2.gz HAPQXIMGOZCYGO-SNVBAGLBSA-N 0 3 224.308 0.756 20 0 BCADHN C[C@H](O)CN1CCC[C@H](c2ccnn2C)C1 ZINC000334150040 386748734 /nfs/dbraw/zinc/74/87/34/386748734.db2.gz KAJFGSKMLGKTDY-QWRGUYRKSA-N 0 3 223.320 0.980 20 0 BCADHN CN(C)c1ncc(CNCCCCCO)cn1 ZINC000279876289 386749573 /nfs/dbraw/zinc/74/95/73/386749573.db2.gz FUEWJZWSEBEFDI-UHFFFAOYSA-N 0 3 238.335 0.795 20 0 BCADHN C[C@H](O)CCN1CCc2cc[nH]c(=O)c2C1 ZINC000450845150 386752266 /nfs/dbraw/zinc/75/22/66/386752266.db2.gz JXXPKYMIVDITEB-VIFPVBQESA-N 0 3 222.288 0.916 20 0 BCADHN C=Cn1cc(CNCCCc2cnn(C)n2)cn1 ZINC000292933788 386752552 /nfs/dbraw/zinc/75/25/52/386752552.db2.gz JIBGTZQCJAMLBQ-UHFFFAOYSA-N 0 3 246.318 0.835 20 0 BCADHN O=C1NC[C@@H]2CN(CCC3CC3)CCN12 ZINC000334152674 386752439 /nfs/dbraw/zinc/75/24/39/386752439.db2.gz XUHYWYXLYLBUGU-SNVBAGLBSA-N 0 3 209.293 0.496 20 0 BCADHN CC(C)CNC(=O)CN(C[C@@H](C)O)C(C)C ZINC000340766783 386769594 /nfs/dbraw/zinc/76/95/94/386769594.db2.gz HEBJCZYFRIZCMU-LLVKDONJSA-N 0 3 230.352 0.850 20 0 BCADHN C[C@H]1C(=O)N(CCN(C)C)CN1CC1CC1 ZINC000648064855 386753982 /nfs/dbraw/zinc/75/39/82/386753982.db2.gz NJPRMDXNZMKAHN-JTQLQIEISA-N 0 3 225.336 0.448 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCCC(=O)NC(C)C ZINC000122476922 386755617 /nfs/dbraw/zinc/75/56/17/386755617.db2.gz UHNBJLLLDNCOSQ-KOLCDFICSA-N 0 3 243.351 0.391 20 0 BCADHN CCN(CCO)CCNCc1cnccc1C ZINC000279930746 386756561 /nfs/dbraw/zinc/75/65/61/386756561.db2.gz NKBVABCBQKQXGB-UHFFFAOYSA-N 0 3 237.347 0.794 20 0 BCADHN CN(C)C(=O)[C@H]1CCN(Cc2ccc(=O)[nH]c2)C1 ZINC000639263332 386757088 /nfs/dbraw/zinc/75/70/88/386757088.db2.gz SFNKQTYETWIDEV-NSHDSACASA-N 0 3 249.314 0.697 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NCc1cncn1C ZINC000344842833 386759467 /nfs/dbraw/zinc/75/94/67/386759467.db2.gz WEGQYDMXURHZDQ-GWCFXTLKSA-N 0 3 234.347 0.992 20 0 BCADHN CN(C)CCN(C)C(=O)c1cncc(Cl)n1 ZINC000192360768 386759822 /nfs/dbraw/zinc/75/98/22/386759822.db2.gz ZMHKMWKLQYFTOK-UHFFFAOYSA-N 0 3 242.710 0.764 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NCc1cncn1C ZINC000344842839 386759873 /nfs/dbraw/zinc/75/98/73/386759873.db2.gz WEGQYDMXURHZDQ-ZWNOBZJWSA-N 0 3 234.347 0.992 20 0 BCADHN O=C([C@H]1CCCCO1)N1CCCNCC1 ZINC000050958248 386760771 /nfs/dbraw/zinc/76/07/71/386760771.db2.gz RJKHBRCMHKDMLX-SNVBAGLBSA-N 0 3 212.293 0.377 20 0 BCADHN CC[C@H](N)C(=O)NCc1cn2c(n1)CCCC2 ZINC000269237783 386765160 /nfs/dbraw/zinc/76/51/60/386765160.db2.gz HRQGTNDAIFIXSF-JTQLQIEISA-N 0 3 236.319 0.573 20 0 BCADHN Cc1nnc(CN[C@@H]2CCC[C@@H]2CCO)n1C ZINC000330552264 386766141 /nfs/dbraw/zinc/76/61/41/386766141.db2.gz CZMARBKWZYKGTR-GHMZBOCLSA-N 0 3 238.335 0.764 20 0 BCADHN COC[C@H](O)CN1CCN(C)[C@@H](C)[C@H]1C ZINC000348926573 386767590 /nfs/dbraw/zinc/76/75/90/386767590.db2.gz IUOGZGHSLYCHOK-HBNTYKKESA-N 0 3 216.325 0.018 20 0 BCADHN Cn1ccc(CNC2(CC(N)=O)CCC2)c1 ZINC000336665146 386768220 /nfs/dbraw/zinc/76/82/20/386768220.db2.gz DYDGBRJHVIEESM-UHFFFAOYSA-N 0 3 221.304 0.913 20 0 BCADHN CCC(C)(C)CNC(=O)C(C)S(C)(=O)=O ZINC000190870808 386742276 /nfs/dbraw/zinc/74/22/76/386742276.db2.gz UEGPLKUNNSJJTR-QMMMGPOBSA-N 0 3 235.349 0.972 20 0 BCADHN COC(=O)c1ccc(CNCCN2CCC2)o1 ZINC000344893108 386791944 /nfs/dbraw/zinc/79/19/44/386791944.db2.gz SEPQDIXWUAHKFM-UHFFFAOYSA-N 0 3 238.287 0.862 20 0 BCADHN COCCCN(C)C(=O)N[C@@H](C)CN(C)C ZINC000344886954 386793775 /nfs/dbraw/zinc/79/37/75/386793775.db2.gz HIZHAAFIEKPTSR-JTQLQIEISA-N 0 3 231.340 0.614 20 0 BCADHN CC[C@H]1CN(Cc2cc(C)ncn2)C[C@@H]1O ZINC000293052456 386770966 /nfs/dbraw/zinc/77/09/66/386770966.db2.gz FWSLWLBMEXUXOH-JQWIXIFHSA-N 0 3 221.304 0.988 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCCCCO ZINC000192925837 386796248 /nfs/dbraw/zinc/79/62/48/386796248.db2.gz RQJYGUWMUXLTJG-SNVBAGLBSA-N 0 3 237.365 0.562 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2ccc(=O)[nH]c2)C1 ZINC000639276256 386778089 /nfs/dbraw/zinc/77/80/89/386778089.db2.gz LSLNLAYCJJESTF-JTQLQIEISA-N 0 3 235.287 0.355 20 0 BCADHN Cn1nccc1CN1CC[C@@](C)(C(N)=O)C1 ZINC000280101851 386778711 /nfs/dbraw/zinc/77/87/11/386778711.db2.gz ANMLJFFUJBGIQY-LLVKDONJSA-N 0 3 222.292 0.117 20 0 BCADHN CO[C@H]1C[C@@H](CN(C)CC(N)=O)N(C)C1 ZINC000330540279 386780230 /nfs/dbraw/zinc/78/02/30/386780230.db2.gz HKECXJPSRUQEEW-IUCAKERBSA-N 0 3 215.297 0.173 20 0 BCADHN CC[C@@](C)(O)CN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000408444778 386785453 /nfs/dbraw/zinc/78/54/53/386785453.db2.gz WCFWCVITTBHXIS-GHMZBOCLSA-N 0 3 249.376 0.514 20 0 BCADHN C[C@@H](O)CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000192520908 386789097 /nfs/dbraw/zinc/78/90/97/386789097.db2.gz CGOGWJGIUYIQQZ-IVZWLZJFSA-N 0 3 241.335 0.292 20 0 BCADHN CCN(C)CCN[C@H](C)c1ccc(=O)[nH]n1 ZINC000336672155 386824624 /nfs/dbraw/zinc/82/46/24/386824624.db2.gz ADBJIPSDNYDGHF-SECBINFHSA-N 0 3 224.308 0.785 20 0 BCADHN COC(=O)[C@@H]1CCN(Cc2cnc[nH]2)C1 ZINC000280467627 386817323 /nfs/dbraw/zinc/81/73/23/386817323.db2.gz MOYIBXFSGPYKGR-MRVPVSSYSA-N 0 3 209.249 0.405 20 0 BCADHN COC[C@@H](C)N(C)C(=O)NC[C@@H]1CCCN1C ZINC000339939445 386817885 /nfs/dbraw/zinc/81/78/85/386817885.db2.gz LRRSULVSHOLIPS-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1CCCOC1)N(C)C ZINC000340961466 386818352 /nfs/dbraw/zinc/81/83/52/386818352.db2.gz RBKUSCPVWSGEAB-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN COC[C@H](C)N(C)C(=O)NC[C@H]1CCCN1C ZINC000339939447 386818685 /nfs/dbraw/zinc/81/86/85/386818685.db2.gz LRRSULVSHOLIPS-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN CNC(=O)CCCN[C@H](C)c1nccnc1C ZINC000398422679 386820598 /nfs/dbraw/zinc/82/05/98/386820598.db2.gz ZJWGTIVLZYOURX-SECBINFHSA-N 0 3 236.319 0.962 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)C3(O)CCCC3)C[C@@H]21 ZINC000334773671 386824835 /nfs/dbraw/zinc/82/48/35/386824835.db2.gz WNZYTLKFCWPHHQ-MNOVXSKESA-N 0 3 238.331 0.454 20 0 BCADHN C[C@@H](O)C[C@H](C)NC(=O)NC1CCN(C)CC1 ZINC000341029776 386823774 /nfs/dbraw/zinc/82/37/74/386823774.db2.gz BTIBGTANLHFHJC-VHSXEESVSA-N 0 3 243.351 0.539 20 0 BCADHN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@H]1CN2CCN1CCC2 ZINC000428074968 386797168 /nfs/dbraw/zinc/79/71/68/386797168.db2.gz PCIJBOKISCITLC-YVECIDJPSA-N 0 3 249.358 0.291 20 0 BCADHN Cc1cccn2c(CN[C@H](C)CC(N)=O)cnc12 ZINC000344908259 386799475 /nfs/dbraw/zinc/79/94/75/386799475.db2.gz YYJUUVXOULYVTH-SNVBAGLBSA-N 0 3 246.314 0.996 20 0 BCADHN CCN(CCOC)[C@H](C)CN1CCOCC1 ZINC000340945665 386804183 /nfs/dbraw/zinc/80/41/83/386804183.db2.gz YQJZPYKTWLELJH-GFCCVEGCSA-N 0 3 230.352 0.675 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@](C)(C(N)=O)C1 ZINC000280325523 386805797 /nfs/dbraw/zinc/80/57/97/386805797.db2.gz QTCRJSNVAQTQEE-NSHDSACASA-N 0 3 222.292 0.415 20 0 BCADHN Cn1cc(CN2CC[C@@](C)(C(N)=O)C2)cn1 ZINC000280370618 386808353 /nfs/dbraw/zinc/80/83/53/386808353.db2.gz VFQOPWVXOKHQME-LLVKDONJSA-N 0 3 222.292 0.117 20 0 BCADHN CC[C@@H](C(=O)NCCN(CC)C1CC1)[C@@H](C)O ZINC000357582479 386808589 /nfs/dbraw/zinc/80/85/89/386808589.db2.gz LEDJBESKHCWJMY-ZYHUDNBSSA-N 0 3 242.363 0.994 20 0 BCADHN COC[C@@H]1CCN(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000344938835 386809264 /nfs/dbraw/zinc/80/92/64/386809264.db2.gz MJHAACHFYHTRIX-WDEREUQCSA-N 0 3 243.351 0.614 20 0 BCADHN C[C@H]1[C@@H](NC(=O)N2CCNCC2)CCCN1C ZINC000417993819 386810621 /nfs/dbraw/zinc/81/06/21/386810621.db2.gz BAKRDTIDCZEWMW-QWRGUYRKSA-N 0 3 240.351 0.084 20 0 BCADHN CO[C@H](C(=O)NC[C@@H]1CCCN1C)C(C)C ZINC000352874650 386811378 /nfs/dbraw/zinc/81/13/78/386811378.db2.gz FNROXPZXTFPTGL-QWRGUYRKSA-N 0 3 228.336 0.868 20 0 BCADHN CO[C@@H]1CN(CCc2scnc2C)C[C@H]1O ZINC000395325365 386813100 /nfs/dbraw/zinc/81/31/00/386813100.db2.gz PAECXCYEVVDIKJ-NXEZZACHSA-N 0 3 242.344 0.686 20 0 BCADHN CO[C@@H]1CN(CCSC(C)C)C[C@H]1O ZINC000395328199 386813775 /nfs/dbraw/zinc/81/37/75/386813775.db2.gz PYLVYCSNTYXATA-NXEZZACHSA-N 0 3 219.350 0.820 20 0 BCADHN CN1CCC[C@@H](N2CCC[C@](C)(O)CC2)C1=O ZINC000526076811 386814000 /nfs/dbraw/zinc/81/40/00/386814000.db2.gz WVMBBOGJCSWNCR-YPMHNXCESA-N 0 3 240.347 0.844 20 0 BCADHN COC(=O)[C@H]1CCN(CCOCC2CC2)C1 ZINC000357613041 386815012 /nfs/dbraw/zinc/81/50/12/386815012.db2.gz WWSKCGNYXSIQFT-NSHDSACASA-N 0 3 227.304 0.908 20 0 BCADHN C[C@H](CNC(=O)CCc1cnccn1)N(C)C ZINC000280419274 386815339 /nfs/dbraw/zinc/81/53/39/386815339.db2.gz WTYKMSDHMGWOJX-SNVBAGLBSA-N 0 3 236.319 0.476 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)no1 ZINC000366552838 386826785 /nfs/dbraw/zinc/82/67/85/386826785.db2.gz FKYKCSGKFAYRQG-YUMQZZPRSA-N 0 3 227.239 0.413 20 0 BCADHN CC[C@@H](O)CNC(=O)NCC1(N(C)C)CCC1 ZINC000645458516 386829784 /nfs/dbraw/zinc/82/97/84/386829784.db2.gz UVCKQFQZQCPVDG-SNVBAGLBSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)CC(C)(C)O ZINC000334777738 386830641 /nfs/dbraw/zinc/83/06/41/386830641.db2.gz AOUUCZDBYPEYMW-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN Cc1cnn(CCC(=O)N[C@@H](C)CN(C)C)c1 ZINC000330684629 386830945 /nfs/dbraw/zinc/83/09/45/386830945.db2.gz SXNUERUGMBGULP-NSHDSACASA-N 0 3 238.335 0.648 20 0 BCADHN CN(C)CCNC(=O)[C@]1(C)CCCOC1 ZINC000357721091 386835191 /nfs/dbraw/zinc/83/51/91/386835191.db2.gz JHILWPGPPZVMOW-LLVKDONJSA-N 0 3 214.309 0.481 20 0 BCADHN CC[C@H](NCc1nnnn1C)C1CCOCC1 ZINC000330699507 386835570 /nfs/dbraw/zinc/83/55/70/386835570.db2.gz XTMWNNBOUNTKEW-JTQLQIEISA-N 0 3 239.323 0.505 20 0 BCADHN CC(C)CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000357733486 386837658 /nfs/dbraw/zinc/83/76/58/386837658.db2.gz UKXBJSAWNIYMRF-NSHDSACASA-N 0 3 229.324 0.008 20 0 BCADHN Cc1cnc(CNCCc2cnn(C)c2)n1C ZINC000341118729 386840969 /nfs/dbraw/zinc/84/09/69/386840969.db2.gz FKNYCKBSTCJLSP-UHFFFAOYSA-N 0 3 233.319 0.794 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)c1cc(F)c[nH]1 ZINC000293595306 386846545 /nfs/dbraw/zinc/84/65/45/386846545.db2.gz RLXLWMYJSFWORL-LLVKDONJSA-N 0 3 243.282 0.196 20 0 BCADHN Cc1cnn(C)c1CN[C@@H](C)CC(N)=O ZINC000336674611 386847322 /nfs/dbraw/zinc/84/73/22/386847322.db2.gz AGAUTLSQERNQNF-QMMMGPOBSA-N 0 3 210.281 0.082 20 0 BCADHN C[C@H](N[C@H]1CN(C2CC2)C[C@@H]1C)C(=O)N(C)C ZINC000357829442 386850805 /nfs/dbraw/zinc/85/08/05/386850805.db2.gz BTEXOGCJSCYXLH-NHCYSSNCSA-N 0 3 239.363 0.535 20 0 BCADHN C[C@@]1(CO)CCC[C@@H]1NCC(=O)NCC1CC1 ZINC000331434910 386852545 /nfs/dbraw/zinc/85/25/45/386852545.db2.gz GNOJVFUNDIWVOS-AAEUAGOBSA-N 0 3 240.347 0.653 20 0 BCADHN CCCC(=O)N[C@H](CO)CN1CCCCC1 ZINC000330803714 386892536 /nfs/dbraw/zinc/89/25/36/386892536.db2.gz KAUSWBFKISWMBY-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN CN(CCCO)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331753544 386893524 /nfs/dbraw/zinc/89/35/24/386893524.db2.gz HOLHYLJZQBBHTA-JTQLQIEISA-N 0 3 241.335 0.247 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@H](N)C1CCC1 ZINC000331447315 386855776 /nfs/dbraw/zinc/85/57/76/386855776.db2.gz GGILOQRZVQDOTM-SDDRHHMPSA-N 0 3 240.347 0.733 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](C(=O)OC)C1 ZINC000357863353 386856135 /nfs/dbraw/zinc/85/61/35/386856135.db2.gz NFOFIBIOBZRYCL-JTQLQIEISA-N 0 3 242.319 0.350 20 0 BCADHN O=C1CC[C@H](NCc2c[nH]cn2)[C@@H](C2CC2)N1 ZINC000341241837 386859445 /nfs/dbraw/zinc/85/94/45/386859445.db2.gz ZZMABBJMGAXAHW-CMPLNLGQSA-N 0 3 234.303 0.557 20 0 BCADHN O=C1CC[C@H](NCc2cnc[nH]2)[C@@H](C2CC2)N1 ZINC000341241837 386859449 /nfs/dbraw/zinc/85/94/49/386859449.db2.gz ZZMABBJMGAXAHW-CMPLNLGQSA-N 0 3 234.303 0.557 20 0 BCADHN CN(C[C@@H]1CCCN1C)[C@@H]1CCCNC1=O ZINC000334793352 386860187 /nfs/dbraw/zinc/86/01/87/386860187.db2.gz ZYCDHGSMUSZNLM-WDEREUQCSA-N 0 3 225.336 0.291 20 0 BCADHN CN(CCn1cncn1)C[C@@H]1CCCC[C@H]1O ZINC000330710373 386861985 /nfs/dbraw/zinc/86/19/85/386861985.db2.gz PBIDJFXGASRNIR-NWDGAFQWSA-N 0 3 238.335 0.761 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@H](O)C(C)C ZINC000349542931 386862654 /nfs/dbraw/zinc/86/26/54/386862654.db2.gz OBASZDPIDKYVKR-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@]1(C(=O)N2CCN3CCC[C@@H]3C2)CCOC1 ZINC000335744324 386862972 /nfs/dbraw/zinc/86/29/72/386862972.db2.gz QSRCXPQLGCXHPE-DGCLKSJQSA-N 0 3 238.331 0.720 20 0 BCADHN CCN(CCO)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341203607 386863328 /nfs/dbraw/zinc/86/33/28/386863328.db2.gz ORYAYAKKAUYHLI-WDEREUQCSA-N 0 3 243.351 0.493 20 0 BCADHN CNS(=O)(=O)C[C@H]1CCCN1C(C)C ZINC000335748112 386870729 /nfs/dbraw/zinc/87/07/29/386870729.db2.gz MVVXURRVULUXOP-SECBINFHSA-N 0 3 220.338 0.408 20 0 BCADHN C[C@@H](O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000335748597 386872273 /nfs/dbraw/zinc/87/22/73/386872273.db2.gz AOBLFGJPVUQFOE-VHSXEESVSA-N 0 3 228.336 0.556 20 0 BCADHN CC(C)Cn1cc(CN[C@@H](C)CC(N)=O)cn1 ZINC000341271930 386872704 /nfs/dbraw/zinc/87/27/04/386872704.db2.gz GJIMDBPMZOSQPI-JTQLQIEISA-N 0 3 238.335 0.893 20 0 BCADHN CNC(=O)N[C@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000334833196 386872683 /nfs/dbraw/zinc/87/26/83/386872683.db2.gz SCWLFIMIPHOGIF-UWVGGRQHSA-N 0 3 227.308 0.169 20 0 BCADHN Cc1cnc(CNCCCOCCO)n1C ZINC000336739112 386872837 /nfs/dbraw/zinc/87/28/37/386872837.db2.gz OXZJPNYYBLPJHX-UHFFFAOYSA-N 0 3 227.308 0.217 20 0 BCADHN CC(C)CCNC(=O)[C@@H](C)N1CC[C@H](CO)C1 ZINC000051888000 386873368 /nfs/dbraw/zinc/87/33/68/386873368.db2.gz YJXVPKBJUUQMKO-NEPJUHHUSA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@H](CNC(=O)NCCN(C)C1CC1)OC ZINC000358013304 386879401 /nfs/dbraw/zinc/87/94/01/386879401.db2.gz VRHCOIRZQAOGIO-LLVKDONJSA-N 0 3 243.351 0.805 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@H](F)C1 ZINC000334838031 386880654 /nfs/dbraw/zinc/88/06/54/386880654.db2.gz DSOJVXYUWHNLDT-SECBINFHSA-N 0 3 202.273 0.897 20 0 BCADHN C[C@H](N[C@@H]1CN(C)C[C@H]1C)C(=O)NC(C)(C)C ZINC000358034699 386883702 /nfs/dbraw/zinc/88/37/02/386883702.db2.gz HWEMZGVTUIEKKQ-OUAUKWLOSA-N 0 3 241.379 0.829 20 0 BCADHN C[C@H](N[C@H]1C[C@@](C)(O)C1)c1ccnn1C ZINC000331743071 386887916 /nfs/dbraw/zinc/88/79/16/386887916.db2.gz BLCMBKYBKYGDGI-ATZCPNFKSA-N 0 3 209.293 0.984 20 0 BCADHN CCC1(C(=O)NC[C@]2(O)CCN(C)C2)CCC1 ZINC000358076111 386888014 /nfs/dbraw/zinc/88/80/14/386888014.db2.gz USKHWTRPLMAIGY-CYBMUJFWSA-N 0 3 240.347 0.750 20 0 BCADHN Cc1cnn(C)c1CNCC[C@@H](C)[S@](C)=O ZINC000336739376 386888164 /nfs/dbraw/zinc/88/81/64/386888164.db2.gz LEKLONQYFPOKGJ-HWPZZCPQSA-N 0 3 243.376 0.975 20 0 BCADHN CC[C@@H](C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358070129 386888308 /nfs/dbraw/zinc/88/83/08/386888308.db2.gz ULEZHQIFMMYLSA-MWLCHTKSSA-N 0 3 214.309 0.215 20 0 BCADHN Cc1cnn(C)c1CNCC[C@@H](C)[S@@](C)=O ZINC000336739380 386888543 /nfs/dbraw/zinc/88/85/43/386888543.db2.gz LEKLONQYFPOKGJ-QLJPJBMISA-N 0 3 243.376 0.975 20 0 BCADHN CCCCC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358065754 386888652 /nfs/dbraw/zinc/88/86/52/386888652.db2.gz NHEDJVAFMHHSIO-NSHDSACASA-N 0 3 214.309 0.359 20 0 BCADHN C[C@@H](O)CN(C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331744066 386888961 /nfs/dbraw/zinc/88/89/61/386888961.db2.gz CBEWSIGPCUYPKO-NXEZZACHSA-N 0 3 241.335 0.245 20 0 BCADHN CCCCN(C)CCNC(=O)C(=O)NC1CC1 ZINC000358104855 386889397 /nfs/dbraw/zinc/88/93/97/386889397.db2.gz BIKRRAFVRNEEND-UHFFFAOYSA-N 0 3 241.335 0.113 20 0 BCADHN COC[C@H]1CCN([C@@H](C)C(=O)N(C)C)C1 ZINC000352887528 386889532 /nfs/dbraw/zinc/88/95/32/386889532.db2.gz YEXNTNWQCPBNTE-UWVGGRQHSA-N 0 3 214.309 0.431 20 0 BCADHN C[C@@H](O)CCNC(=O)[C@H]1CCCN1C1CC1 ZINC000331827647 386913766 /nfs/dbraw/zinc/91/37/66/386913766.db2.gz ZLZQTRNQGGEFQL-MWLCHTKSSA-N 0 3 226.320 0.500 20 0 BCADHN Cc1cc(CN2CC[C@H](c3nc[nH]n3)C2)nn1C ZINC000425355541 386918267 /nfs/dbraw/zinc/91/82/67/386918267.db2.gz MKGSSTWVJOREHN-JTQLQIEISA-N 0 3 246.318 0.836 20 0 BCADHN CC1(C)CC[C@H](CN2CC[C@H](NC(N)=O)C2)O1 ZINC000335770791 386918235 /nfs/dbraw/zinc/91/82/35/386918235.db2.gz WUXWFNBFZVCMBF-VHSXEESVSA-N 0 3 241.335 0.687 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N2CCN3CCC2CC3)CO1 ZINC000335760694 386898161 /nfs/dbraw/zinc/89/81/61/386898161.db2.gz BOEJPYVKMCDENF-MNOVXSKESA-N 0 3 238.331 0.718 20 0 BCADHN FC1(F)CCNC[C@H]1NC[C@H]1CCCOC1 ZINC000334849715 386898314 /nfs/dbraw/zinc/89/83/14/386898314.db2.gz ZIYJCEXRRLKRHK-NXEZZACHSA-N 0 3 234.290 1.000 20 0 BCADHN CCc1ccc(CNC[C@@]2(O)CCN(C)C2)o1 ZINC000358140873 386898527 /nfs/dbraw/zinc/89/85/27/386898527.db2.gz PCYYPBJQYYZIRU-ZDUSSCGKSA-N 0 3 238.331 0.998 20 0 BCADHN Cc1n[nH]cc1CN[C@@H]1CNCCC1(F)F ZINC000334849736 386899219 /nfs/dbraw/zinc/89/92/19/386899219.db2.gz ZNWMQOOSAXSENY-SECBINFHSA-N 0 3 230.262 0.805 20 0 BCADHN Cc1nn(C)cc1CN[C@@H]1CNCCC1(F)F ZINC000334849744 386899246 /nfs/dbraw/zinc/89/92/46/386899246.db2.gz ZOLRUIUXRBPTSQ-SNVBAGLBSA-N 0 3 244.289 0.815 20 0 BCADHN CN1CCC(C(=O)NC[C@@H]2CCC[C@H]2O)CC1 ZINC000334850435 386899993 /nfs/dbraw/zinc/89/99/93/386899993.db2.gz RUKDJAZJUBOBDP-NWDGAFQWSA-N 0 3 240.347 0.605 20 0 BCADHN CCC1(CO)CCN(C[C@](C)(O)C(C)=O)CC1 ZINC000330835484 386901523 /nfs/dbraw/zinc/90/15/23/386901523.db2.gz HZSXBTKBFXKJTB-LBPRGKRZSA-N 0 3 243.347 0.811 20 0 BCADHN Cc1nn(C)c(C)c1CN1C[C@@H](O)C2(CC2)C1 ZINC000334852742 386903248 /nfs/dbraw/zinc/90/32/48/386903248.db2.gz MITJHLXOKJLUDM-GFCCVEGCSA-N 0 3 235.331 0.994 20 0 BCADHN CN(CCNC(=O)CC(C)(C)O)C1CC1 ZINC000331785054 386904089 /nfs/dbraw/zinc/90/40/89/386904089.db2.gz NXIALZYVJCHSBT-UHFFFAOYSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H](CNC(=O)NCC(C)(C)O)N(C)C1CC1 ZINC000331789404 386906320 /nfs/dbraw/zinc/90/63/20/386906320.db2.gz UVBJPXPGXNHFGV-VIFPVBQESA-N 0 3 243.351 0.539 20 0 BCADHN C[C@H](CO)CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331789907 386906374 /nfs/dbraw/zinc/90/63/74/386906374.db2.gz SDYBQIHSRHMYSX-VHSXEESVSA-N 0 3 241.335 0.151 20 0 BCADHN C[C@@H](NC[C@]1(O)CCN(C)C1)c1nccn1C ZINC000330870334 386906993 /nfs/dbraw/zinc/90/69/93/386906993.db2.gz FMYPGLPMNJPUAO-ZYHUDNBSSA-N 0 3 238.335 0.137 20 0 BCADHN CO[C@H](CNC(=O)C1CCN(C)CC1)C1CC1 ZINC000358183865 386909276 /nfs/dbraw/zinc/90/92/76/386909276.db2.gz OBKLKONVQRHMTD-GFCCVEGCSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H](CNC(=O)CC(N)=O)N(C)C1CC1 ZINC000331807321 386910193 /nfs/dbraw/zinc/91/01/93/386910193.db2.gz YNMHXIZVXYCFRI-ZETCQYMHSA-N 0 3 213.281 0.511 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCN(C)C1)c1cnn(C)c1 ZINC000330889837 386910336 /nfs/dbraw/zinc/91/03/36/386910336.db2.gz VQFORQQNXABONT-PWSUYJOCSA-N 0 3 238.335 0.137 20 0 BCADHN C[C@@H](CC(N)=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000358198972 386910601 /nfs/dbraw/zinc/91/06/01/386910601.db2.gz ZVBPDBFXLWVYJP-IUCAKERBSA-N 0 3 241.335 0.239 20 0 BCADHN C[C@H](CNC(=O)CC(N)=O)N(C)C1CC1 ZINC000331807320 386910686 /nfs/dbraw/zinc/91/06/86/386910686.db2.gz YNMHXIZVXYCFRI-SSDOTTSWSA-N 0 3 213.281 0.511 20 0 BCADHN CCN(CC)[C@@H](C)CNS(=O)(=O)NC1CC1 ZINC000331815906 386912116 /nfs/dbraw/zinc/91/21/16/386912116.db2.gz ZXCXTVQSXFOYHO-VIFPVBQESA-N 0 3 249.380 0.303 20 0 BCADHN C[C@@H]1C[C@@H]1N1C[C@H](N[C@@H]2CCO[C@H]2C)CC1=O ZINC000358211701 386912743 /nfs/dbraw/zinc/91/27/43/386912743.db2.gz ZJGULFJIMDWBNO-ROHXPCBUSA-N 0 3 238.331 0.763 20 0 BCADHN CC(=O)[C@@](C)(O)CN(C)CC1(O)CCCC1 ZINC000330852770 386913167 /nfs/dbraw/zinc/91/31/67/386913167.db2.gz MJZGDMSNZVKUIB-NSHDSACASA-N 0 3 229.320 0.563 20 0 BCADHN CN(C)CCN(C[C@H]1CCCO1)C(N)=O ZINC000330905450 386921706 /nfs/dbraw/zinc/92/17/06/386921706.db2.gz ATBSAMNJGGFQBK-SECBINFHSA-N 0 3 215.297 0.522 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@H](O)C1CCCCC1 ZINC000331897237 386922022 /nfs/dbraw/zinc/92/20/22/386922022.db2.gz RVVSGHQLZMMROP-AXFHLTTASA-N 0 3 226.320 0.391 20 0 BCADHN CCC1(CC)[C@H](NCC(N)=O)[C@@H](C)[C@@H]1OC ZINC000191396901 386947316 /nfs/dbraw/zinc/94/73/16/386947316.db2.gz VGAPRXSKPBLQMM-IEBDPFPHSA-N 0 3 228.336 0.901 20 0 BCADHN Cn1ccc(C(=O)N2CCN3CCC2CC3)c1 ZINC000335773891 386923475 /nfs/dbraw/zinc/92/34/75/386923475.db2.gz KYSCVAVCWJRCIU-UHFFFAOYSA-N 0 3 233.315 0.945 20 0 BCADHN C[C@H]1CN(C(=O)C2CCN(C)CC2)CCC1=O ZINC000335774798 386923743 /nfs/dbraw/zinc/92/37/43/386923743.db2.gz QFIIWSILIYBBGG-JTQLQIEISA-N 0 3 238.331 0.766 20 0 BCADHN Cn1nnc2cc(CN3CC[C@](C)(O)C3)ccc21 ZINC000331915120 386924071 /nfs/dbraw/zinc/92/40/71/386924071.db2.gz SHZAQUCHKOQWAI-ZDUSSCGKSA-N 0 3 246.314 0.925 20 0 BCADHN CCn1nncc1CNCC(O)(CC)CC ZINC000417884611 386926496 /nfs/dbraw/zinc/92/64/96/386926496.db2.gz UFVZJAHOQRKRJQ-UHFFFAOYSA-N 0 3 226.324 0.939 20 0 BCADHN Cn1nnc2cc(CN3CC[C@@H](CO)C3)ccc21 ZINC000331937264 386929068 /nfs/dbraw/zinc/92/90/68/386929068.db2.gz WXRDUUPNMJHVQK-LLVKDONJSA-N 0 3 246.314 0.783 20 0 BCADHN Cn1ccc(CN2CCN3CCC2CC3)n1 ZINC000368042142 386932252 /nfs/dbraw/zinc/93/22/52/386932252.db2.gz MKZOVLMYDSECMP-UHFFFAOYSA-N 0 3 220.320 0.700 20 0 BCADHN C[C@@H](Cn1ccnc1)NC(=O)[C@H]1NCC1(C)C ZINC000645468983 386935677 /nfs/dbraw/zinc/93/56/77/386935677.db2.gz FZRWPULTJXZRTL-VHSXEESVSA-N 0 3 236.319 0.386 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000368073415 386936206 /nfs/dbraw/zinc/93/62/06/386936206.db2.gz RMIWPQYYWRTRMJ-XRNSZHNASA-N 0 3 248.330 0.817 20 0 BCADHN CC1(C)CN(CCOCCO)[C@@H]1[C@H]1CCCO1 ZINC000368070307 386937428 /nfs/dbraw/zinc/93/74/28/386937428.db2.gz BXYYILKIISXKMK-VXGBXAGGSA-N 0 3 243.347 0.885 20 0 BCADHN Cc1c[nH]nc1CNC[C@H](CO)c1cccnc1 ZINC000352896207 386939774 /nfs/dbraw/zinc/93/97/74/386939774.db2.gz OPVZMYLEYINUMR-GFCCVEGCSA-N 0 3 246.314 0.979 20 0 BCADHN CO[C@@H](C)[C@@H](C)NC(=O)NC1CCN(C)CC1 ZINC000341627744 386944899 /nfs/dbraw/zinc/94/48/99/386944899.db2.gz ZOGBWWAKDYQYAX-ZJUUUORDSA-N 0 3 243.351 0.803 20 0 BCADHN CO[C@@H]1C[C@@H](NC[C@H](C)S(C)(=O)=O)C1(C)C ZINC000332064625 386953499 /nfs/dbraw/zinc/95/34/99/386953499.db2.gz RDQBVDPHTRSGAJ-IVZWLZJFSA-N 0 3 249.376 0.823 20 0 BCADHN CC[C@H](COC)NC(=O)N1CCCNCC1 ZINC000332064005 386954172 /nfs/dbraw/zinc/95/41/72/386954172.db2.gz ZSXALVYFUNHZNB-SNVBAGLBSA-N 0 3 229.324 0.416 20 0 BCADHN COC(=O)[C@H]1CC[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000332070350 386955525 /nfs/dbraw/zinc/95/55/25/386955525.db2.gz VBSLXBUQZDVRMP-AEJSXWLSSA-N 0 3 242.319 0.252 20 0 BCADHN COC(=O)[C@H]1CC[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000332070351 386956199 /nfs/dbraw/zinc/95/61/99/386956199.db2.gz VBSLXBUQZDVRMP-GUBZILKMSA-N 0 3 242.319 0.252 20 0 BCADHN C[C@@H]1OCC[C@H]1N[C@@H]1CCCN(C)C1=O ZINC000336763313 386956721 /nfs/dbraw/zinc/95/67/21/386956721.db2.gz OZVVVQHPIRJWDQ-IVZWLZJFSA-N 0 3 212.293 0.374 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000518961447 386956915 /nfs/dbraw/zinc/95/69/15/386956915.db2.gz GDQOECYZYYIQLQ-GRYCIOLGSA-N 0 3 238.331 0.751 20 0 BCADHN CN(C)C(=O)NCCN(C)CC1(O)CCC1 ZINC000332075079 386957038 /nfs/dbraw/zinc/95/70/38/386957038.db2.gz WMIKDUYLVFXEAL-UHFFFAOYSA-N 0 3 229.324 0.104 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1C=C[C@H](CO)C1)N(C)C ZINC000341734590 386956902 /nfs/dbraw/zinc/95/69/02/386956902.db2.gz XBWACRIWUKMSEB-SDDRHHMPSA-N 0 3 240.347 0.626 20 0 BCADHN Cc1nc(CNC(C)(C)CN(C)C)no1 ZINC000336763367 386957201 /nfs/dbraw/zinc/95/72/01/386957201.db2.gz OTZAZXBXKMFRFW-UHFFFAOYSA-N 0 3 212.297 0.808 20 0 BCADHN CCN(CC)[C@@H](C)CNS(=O)(=O)N1CCC1 ZINC000332079562 386958842 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GMGCJHNUIUMKEV-NWDGAFQWSA-N 0 3 229.320 0.639 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@H](c2nnc[nH]2)C1 ZINC000333427994 387036244 /nfs/dbraw/zinc/03/62/44/387036244.db2.gz KKWDIZKVGOPFCU-VIFPVBQESA-N 0 3 232.291 0.826 20 0 BCADHN CSCCN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000369267565 387036609 /nfs/dbraw/zinc/03/66/09/387036609.db2.gz QUDKCRNMOBMNLB-NWDGAFQWSA-N 0 3 244.404 0.880 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)N[C@H]1CC=CCC1 ZINC000333466386 387037213 /nfs/dbraw/zinc/03/72/13/387037213.db2.gz ZZNFPEIPLSYJGI-QWRGUYRKSA-N 0 3 239.319 0.383 20 0 BCADHN CCOC(=O)CCCNC(=O)[C@@H](N)C1CCC1 ZINC000398998812 387037431 /nfs/dbraw/zinc/03/74/31/387037431.db2.gz AUHZXLSDXWKWAI-NSHDSACASA-N 0 3 242.319 0.573 20 0 BCADHN C[C@H](N)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000648106580 387038190 /nfs/dbraw/zinc/03/81/90/387038190.db2.gz BSVWEPWUWHVURB-ZETCQYMHSA-N 0 3 220.276 0.013 20 0 BCADHN C[C@@H](N)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000648106579 387039715 /nfs/dbraw/zinc/03/97/15/387039715.db2.gz BSVWEPWUWHVURB-SSDOTTSWSA-N 0 3 220.276 0.013 20 0 BCADHN C[C@H](CC1CC1)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188555591 387041321 /nfs/dbraw/zinc/04/13/21/387041321.db2.gz YPJHUSIZBGDSJW-FKTZTGRPSA-N 0 3 214.284 0.991 20 0 BCADHN CC(C)N1CC[C@@H](N(C)Cc2nnn(C)n2)C1 ZINC000333530453 387042496 /nfs/dbraw/zinc/04/24/96/387042496.db2.gz IVSOXPWYHLYZJX-SNVBAGLBSA-N 0 3 238.339 0.125 20 0 BCADHN C[C@H]1[C@H](CO)CCN1Cc1cncnc1 ZINC000425958822 387048319 /nfs/dbraw/zinc/04/83/19/387048319.db2.gz HLSOHYLGNVLUIT-ONGXEEELSA-N 0 3 207.277 0.679 20 0 BCADHN N[C@H](C(=O)N[C@H]1CCCC[C@@H]1O)C1CCC1 ZINC000399058420 387050173 /nfs/dbraw/zinc/05/01/73/387050173.db2.gz YBRUHCITMWSYIA-DCAQKATOSA-N 0 3 226.320 0.534 20 0 BCADHN CC(C)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000330604832 387050204 /nfs/dbraw/zinc/05/02/04/387050204.db2.gz JDPGFIPQLKRLPV-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@@H](NC(=O)[C@H](N)C1CCC1)C(=O)OC ZINC000399063730 387050523 /nfs/dbraw/zinc/05/05/23/387050523.db2.gz KDBIRTFZFDGJDL-RKDXNWHRSA-N 0 3 228.292 0.182 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCCC[C@H]1O ZINC000305188739 387050860 /nfs/dbraw/zinc/05/08/60/387050860.db2.gz URJFHDJFGUXQMG-WDEREUQCSA-N 0 3 228.336 0.748 20 0 BCADHN Cc1nc(C(=O)N2CCN3CCC[C@H]3C2)c[nH]1 ZINC000264856632 387054205 /nfs/dbraw/zinc/05/42/05/387054205.db2.gz OGQYPVVDMHEFTK-JTQLQIEISA-N 0 3 234.303 0.638 20 0 BCADHN CCCNC(=O)[C@@H](C)N[C@@H](C)[C@H](C)OC ZINC000191705600 387055611 /nfs/dbraw/zinc/05/56/11/387055611.db2.gz LGVSAHINKWALPH-AEJSXWLSSA-N 0 3 216.325 0.914 20 0 BCADHN CCN1CCC(NC(=O)[C@](C)(O)C2CC2)CC1 ZINC000359096065 387055841 /nfs/dbraw/zinc/05/58/41/387055841.db2.gz RWAMJCIUDTUATA-CYBMUJFWSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)(C)[C@@H](O)CNC(=O)C1(N)CCOCC1 ZINC000324395629 387057152 /nfs/dbraw/zinc/05/71/52/387057152.db2.gz ZUXCVRVUGHCVJE-VIFPVBQESA-N 0 3 244.335 0.018 20 0 BCADHN O=S(=O)(c1ccsc1)N1CCCNCC1 ZINC000334973437 387057993 /nfs/dbraw/zinc/05/79/93/387057993.db2.gz PTOAWVMJNXZICG-UHFFFAOYSA-N 0 3 246.357 0.732 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000334024536 387058777 /nfs/dbraw/zinc/05/87/77/387058777.db2.gz KXQLGPYEYPWUIN-WDEREUQCSA-N 0 3 243.351 0.662 20 0 BCADHN C[C@@]1(F)CNCCN(Cc2ccno2)C1 ZINC000334973800 387060612 /nfs/dbraw/zinc/06/06/12/387060612.db2.gz IIHYWUXVIBCEBJ-SNVBAGLBSA-N 0 3 213.256 0.808 20 0 BCADHN NC(=O)[C@@H]1CCCN1CC[C@@H]1CCCO1 ZINC000188674617 387062851 /nfs/dbraw/zinc/06/28/51/387062851.db2.gz KJCOEYZPFSMLNE-UWVGGRQHSA-N 0 3 212.293 0.505 20 0 BCADHN C[C@@H](O)C[C@H](C)NCc1cnc(N(C)C)n1C ZINC000228065491 387063892 /nfs/dbraw/zinc/06/38/92/387063892.db2.gz VRGAWYRNZWVGPS-VHSXEESVSA-N 0 3 240.351 0.735 20 0 BCADHN CCn1nncc1CNCC1(N(C)C)CCC1 ZINC000418037257 387065041 /nfs/dbraw/zinc/06/50/41/387065041.db2.gz ZTBPEAKLPGKRKP-UHFFFAOYSA-N 0 3 237.351 0.872 20 0 BCADHN COc1ccc(CNCCNC(=O)C2CC2)cn1 ZINC000228073114 387065280 /nfs/dbraw/zinc/06/52/80/387065280.db2.gz PMZFDCYTQGSZTG-UHFFFAOYSA-N 0 3 249.314 0.706 20 0 BCADHN CSC[C@@H](O)CN1C[C@H](O)C2(CC2)C1 ZINC000368783514 387009088 /nfs/dbraw/zinc/00/90/88/387009088.db2.gz NEGRHOYTEWQVGK-IUCAKERBSA-N 0 3 217.334 0.167 20 0 BCADHN CSC[C@H](O)CN1C[C@H](O)C2(CC2)C1 ZINC000368783512 387009342 /nfs/dbraw/zinc/00/93/42/387009342.db2.gz NEGRHOYTEWQVGK-BDAKNGLRSA-N 0 3 217.334 0.167 20 0 BCADHN CC[C@H](O)CC(=O)NCCN1CCCCC1 ZINC000331302575 387009877 /nfs/dbraw/zinc/00/98/77/387009877.db2.gz CQKSQZZYEKLNEN-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN O=C(Nc1ccc2c(c1)CNC2)C(=O)NC1CC1 ZINC000514605746 387010683 /nfs/dbraw/zinc/01/06/83/387010683.db2.gz VPJNHNZPAIUYRV-UHFFFAOYSA-N 0 3 245.282 0.507 20 0 BCADHN C[C@@H](CSc1ncc(CO)n1C)N(C)C ZINC000358781496 387012104 /nfs/dbraw/zinc/01/21/04/387012104.db2.gz OJWFUEAIABDRQC-QMMMGPOBSA-N 0 3 229.349 0.955 20 0 BCADHN C[C@H](CSc1ncc(CO)n1C)N(C)C ZINC000358781495 387012474 /nfs/dbraw/zinc/01/24/74/387012474.db2.gz OJWFUEAIABDRQC-MRVPVSSYSA-N 0 3 229.349 0.955 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCC(=O)NCc1ccco1 ZINC000358789183 387014123 /nfs/dbraw/zinc/01/41/23/387014123.db2.gz HLMGTJMOJCHGCM-VHSXEESVSA-N 0 3 240.303 0.502 20 0 BCADHN COC(=O)C1(C)CN(C[C@@H]2CCCOC2)C1 ZINC000425373457 387015354 /nfs/dbraw/zinc/01/53/54/387015354.db2.gz MSCUDYUAFGYLCC-JTQLQIEISA-N 0 3 227.304 0.908 20 0 BCADHN CC1CC(NC(=O)N2CCCNCC2)C1 ZINC000334939890 387015467 /nfs/dbraw/zinc/01/54/67/387015467.db2.gz ZPQIYTTWRRSSLS-UHFFFAOYSA-N 0 3 211.309 0.790 20 0 BCADHN CCN(C(=O)CN1CCC(C)CC1)[C@@H](C)CO ZINC000358810742 387017065 /nfs/dbraw/zinc/01/70/65/387017065.db2.gz GNRPQHWEEOEVNC-LBPRGKRZSA-N 0 3 242.363 0.948 20 0 BCADHN CN(C)CCNC(=O)CC1CCOCC1 ZINC000117427875 387020288 /nfs/dbraw/zinc/02/02/88/387020288.db2.gz RSLLYVGWGWEEBJ-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN CCN(C(=O)CC1CCN(C)CC1)[C@@H](C)CO ZINC000358854754 387023576 /nfs/dbraw/zinc/02/35/76/387023576.db2.gz QPCZMOFNJBIUCV-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CN1CCN(C(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000648105832 387026596 /nfs/dbraw/zinc/02/65/96/387026596.db2.gz KCODWWYNBSLHNJ-VIFPVBQESA-N 0 3 247.289 0.005 20 0 BCADHN CN(CCN1CCCC1=O)CC(C)(C)O ZINC000304061352 387026725 /nfs/dbraw/zinc/02/67/25/387026725.db2.gz PJNAKIHJLMTZRA-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)CN(C)CCC ZINC000359220343 387070076 /nfs/dbraw/zinc/07/00/76/387070076.db2.gz QDNQIPWCFUWNCC-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000085541778 387072241 /nfs/dbraw/zinc/07/22/41/387072241.db2.gz QCCVCDKBUXEPHN-JFGNBEQYSA-N 0 3 226.320 0.894 20 0 BCADHN CCOC[C@H](C)NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418046195 387075295 /nfs/dbraw/zinc/07/52/95/387075295.db2.gz QBTBISSICOPNEH-HBNTYKKESA-N 0 3 243.351 0.803 20 0 BCADHN O=C(CN1C[C@H]2CCC[C@@H](C1)N2)NC1CC1 ZINC000334988924 387077296 /nfs/dbraw/zinc/07/72/96/387077296.db2.gz HMJUWDSYRDORTP-PHIMTYICSA-N 0 3 223.320 0.091 20 0 BCADHN Cn1cccc(NC(=O)[C@H]2CCCCCN2)c1=O ZINC000369955582 387079230 /nfs/dbraw/zinc/07/92/30/387079230.db2.gz STRPJGZFBCIHJX-SNVBAGLBSA-N 0 3 249.314 0.856 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H]1COC(C)(C)C1 ZINC000418121536 387080270 /nfs/dbraw/zinc/08/02/70/387080270.db2.gz XEXDCTBHTQDMSP-HBNTYKKESA-N 0 3 229.320 0.947 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1[C@H](C)C1(F)F ZINC000359292271 387080781 /nfs/dbraw/zinc/08/07/81/387080781.db2.gz FPSOWZWCKHOVLR-YUMQZZPRSA-N 0 3 220.263 0.956 20 0 BCADHN CCCC[C@H](N)C(=O)NCC(C)(C)C(N)=O ZINC000228325789 387080756 /nfs/dbraw/zinc/08/07/56/387080756.db2.gz CIOHCSJAKQFIOW-QMMMGPOBSA-N 0 3 229.324 0.132 20 0 BCADHN CC[C@@H](C(=O)N(CC)CCC(=O)OC)N(C)C ZINC000118964915 387081282 /nfs/dbraw/zinc/08/12/82/387081282.db2.gz DMBRKBLQPCPKTQ-JTQLQIEISA-N 0 3 244.335 0.738 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000228326393 387081588 /nfs/dbraw/zinc/08/15/88/387081588.db2.gz MQHLLDNAHBJIGP-GARJFASQSA-N 0 3 228.336 0.781 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)CC2(O)CCC2)C1 ZINC000336246155 387083290 /nfs/dbraw/zinc/08/32/90/387083290.db2.gz HEQKJKFTGGKERN-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CCCCN(C)CCNC(=O)[C@H]1COCCO1 ZINC000352382659 387130854 /nfs/dbraw/zinc/13/08/54/387130854.db2.gz QYODTWQHDKPGFI-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN CN(CCO)C[C@@H](O)CC(F)(F)F ZINC000188708402 387083921 /nfs/dbraw/zinc/08/39/21/387083921.db2.gz HEQMAZVCPLWWBZ-LURJTMIESA-N 0 3 201.188 0.224 20 0 BCADHN Cc1ccncc1NC(=O)[C@@H]1C[C@@H](O)CN1 ZINC000070959295 387086008 /nfs/dbraw/zinc/08/60/08/387086008.db2.gz DHJKOCCTYVXDDA-BDAKNGLRSA-N 0 3 221.260 0.051 20 0 BCADHN C(N[C@H]1CCOC1)[C@H]1CN(C2CC2)CCO1 ZINC000228279615 387086197 /nfs/dbraw/zinc/08/61/97/387086197.db2.gz LQAUSGAGVXJACU-JQWIXIFHSA-N 0 3 226.320 0.228 20 0 BCADHN C[C@@H]1CCC[C@H](C)N1CCN1C(=O)CNC1=O ZINC000066531591 387087309 /nfs/dbraw/zinc/08/73/09/387087309.db2.gz XGJIFYZOAIQPGH-AOOOYVTPSA-N 0 3 239.319 0.801 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000458751667 387091289 /nfs/dbraw/zinc/09/12/89/387091289.db2.gz GMVQGCXFTJFJMW-GARJFASQSA-N 0 3 243.351 0.491 20 0 BCADHN CCN(C)CCNC(=O)CCOC(C)C ZINC000066958751 387091732 /nfs/dbraw/zinc/09/17/32/387091732.db2.gz LYTQCLRRDVZUQT-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000066891819 387091909 /nfs/dbraw/zinc/09/19/09/387091909.db2.gz RQAOEAKASKPCDU-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN CCCC[C@@H](N)C(=O)NCC(C)(C)C(N)=O ZINC000228450003 387092746 /nfs/dbraw/zinc/09/27/46/387092746.db2.gz CIOHCSJAKQFIOW-MRVPVSSYSA-N 0 3 229.324 0.132 20 0 BCADHN CS[C@H](CO)[C@@H](C)NCc1cc(C)nn1C ZINC000228379999 387093312 /nfs/dbraw/zinc/09/33/12/387093312.db2.gz FJPUZLRGXBRMBI-MWLCHTKSSA-N 0 3 243.376 0.931 20 0 BCADHN CCN(C)CCNC(=O)NCC(C)C ZINC000066982555 387093439 /nfs/dbraw/zinc/09/34/39/387093439.db2.gz WJYGHKIMPOEILE-UHFFFAOYSA-N 0 3 201.314 0.893 20 0 BCADHN CCN(CC)CC(=O)NCCOCCOC ZINC000068118917 387101344 /nfs/dbraw/zinc/10/13/44/387101344.db2.gz FIXJZQBOZAUENQ-UHFFFAOYSA-N 0 3 232.324 0.107 20 0 BCADHN Cn1cc(CNC[C@@H]2CC[C@H](O)C2)cn1 ZINC000188808292 387104362 /nfs/dbraw/zinc/10/43/62/387104362.db2.gz LEYWRASDBSBALV-KOLCDFICSA-N 0 3 209.293 0.671 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)[NH3+])o1 ZINC000335011207 387106137 /nfs/dbraw/zinc/10/61/37/387106137.db2.gz UWBUKVPDKLWANR-SFYZADRCSA-N 0 3 232.305 0.602 20 0 BCADHN CCC[C@@]1(CO)CCCN1CC(=O)N(C)C ZINC000352355664 387108849 /nfs/dbraw/zinc/10/88/49/387108849.db2.gz DHCZZUFILVAQBU-LBPRGKRZSA-N 0 3 228.336 0.702 20 0 BCADHN O=C1NCCC[C@@H]1N[C@H]1Cc2cccc(O)c2C1 ZINC000336279322 387109912 /nfs/dbraw/zinc/10/99/12/387109912.db2.gz SOWCDJXLNAPEKT-JQWIXIFHSA-N 0 3 246.310 0.728 20 0 BCADHN O=C(N[C@H]1CCC[C@H]1F)N1CCCNCC1 ZINC000334948204 387109951 /nfs/dbraw/zinc/10/99/51/387109951.db2.gz BHIMXBQXTMEXQP-ZJUUUORDSA-N 0 3 229.299 0.882 20 0 BCADHN COC1(C(=O)NCC2=CCN(C)CC2)CCC1 ZINC000359502054 387113452 /nfs/dbraw/zinc/11/34/52/387113452.db2.gz UMVPILLMFBNSOI-UHFFFAOYSA-N 0 3 238.331 0.934 20 0 BCADHN OC[C@H]1C[C@@H](O)CN1Cc1ccc2c(c1)CCO2 ZINC000370386388 387114980 /nfs/dbraw/zinc/11/49/80/387114980.db2.gz IRWISZLYRXMOMB-CHWSQXEVSA-N 0 3 249.310 0.549 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@@]2(C)C[C@@H]2F)C1 ZINC000424868028 387116058 /nfs/dbraw/zinc/11/60/58/387116058.db2.gz AOHLNYIKPAOOFF-QXEWZRGKSA-N 0 3 214.284 0.945 20 0 BCADHN CN(C[C@H]1CCC[C@H]1O)C(=O)C1(N)CCCC1 ZINC000335024915 387116946 /nfs/dbraw/zinc/11/69/46/387116946.db2.gz PNKCWXKUAJRWMG-GHMZBOCLSA-N 0 3 240.347 0.877 20 0 BCADHN Nc1ccncc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000127454612 387118558 /nfs/dbraw/zinc/11/85/58/387118558.db2.gz GAKNGDSDSCIIMV-VIFPVBQESA-N 0 3 246.314 0.630 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)C1(N)CCC1 ZINC000335026359 387118936 /nfs/dbraw/zinc/11/89/36/387118936.db2.gz ZLJFCGORNPYIJI-UWVGGRQHSA-N 0 3 226.320 0.487 20 0 BCADHN O=C(Nc1ccccc1[O-])[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648109620 387121429 /nfs/dbraw/zinc/12/14/29/387121429.db2.gz BDLGBTNMOPLZCP-VROVMSAKSA-N 0 3 218.256 0.796 20 0 BCADHN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)N1CCCNCC1 ZINC000418102410 387122057 /nfs/dbraw/zinc/12/20/57/387122057.db2.gz RMTNNFJGTVAWLD-URLYPYJESA-N 0 3 223.320 0.790 20 0 BCADHN Cc1ncoc1C(=O)NC[C@](C)(O)CN(C)C ZINC000228750245 387124822 /nfs/dbraw/zinc/12/48/22/387124822.db2.gz QKUOFGGCNPSUKU-NSHDSACASA-N 0 3 241.291 0.025 20 0 BCADHN NCC(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000335029394 387125272 /nfs/dbraw/zinc/12/52/72/387125272.db2.gz LENBHAQHHIZGNP-GXSJLCMTSA-N 0 3 208.236 0.699 20 0 BCADHN CC(C(=O)N1CCC[C@@H]1CF)S(C)(=O)=O ZINC000359584742 387127533 /nfs/dbraw/zinc/12/75/33/387127533.db2.gz ITGCIXSAAVLJHY-JGVFFNPUSA-N 0 3 237.296 0.380 20 0 BCADHN COC(=O)[C@@H](C)N(C)CCN(C)C1CC1 ZINC000186739036 387129025 /nfs/dbraw/zinc/12/90/25/387129025.db2.gz AXSHOOJAFPYJGD-SECBINFHSA-N 0 3 214.309 0.574 20 0 BCADHN C[C@@]1(C(=O)NCCN2CCCC2)C[C@@H]1F ZINC000424560169 387141498 /nfs/dbraw/zinc/14/14/98/387141498.db2.gz LSNBZWMWYDLHNV-GXSJLCMTSA-N 0 3 214.284 0.947 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@H]1NCC1(C)C ZINC000645672241 387143217 /nfs/dbraw/zinc/14/32/17/387143217.db2.gz OSAHUQNAKCNYDG-SNVBAGLBSA-N 0 3 241.335 0.017 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@@H]1NCC1(C)C ZINC000645672239 387143231 /nfs/dbraw/zinc/14/32/31/387143231.db2.gz OSAHUQNAKCNYDG-JTQLQIEISA-N 0 3 241.335 0.017 20 0 BCADHN CO[C@@H](C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000359677572 387145019 /nfs/dbraw/zinc/14/50/19/387145019.db2.gz MWRLXPXHHBDMEC-GXSJLCMTSA-N 0 3 246.376 0.575 20 0 BCADHN CN(C)CCSCc1nnn(C)n1 ZINC000193422899 387145036 /nfs/dbraw/zinc/14/50/36/387145036.db2.gz AVFMISQYQFEILJ-UHFFFAOYSA-N 0 3 201.299 0.005 20 0 BCADHN CC(C)[C@](C)(O)CN1CCCN(C(N)=O)CC1 ZINC000186925593 387145666 /nfs/dbraw/zinc/14/56/66/387145666.db2.gz BUBLREBKDRSZNV-GFCCVEGCSA-N 0 3 243.351 0.480 20 0 BCADHN CC(C)COC[C@H](O)CN1CCC(CO)CC1 ZINC000359694321 387147637 /nfs/dbraw/zinc/14/76/37/387147637.db2.gz KLPHGYNSWOEIAM-CYBMUJFWSA-N 0 3 245.363 0.724 20 0 BCADHN O=C(C[C@@H]1CSCCN1)NCc1ccco1 ZINC000085612391 387148788 /nfs/dbraw/zinc/14/87/88/387148788.db2.gz KJPPWMCJVXLWKL-SECBINFHSA-N 0 3 240.328 0.991 20 0 BCADHN CC1(C)CCCN1C(=O)C[C@H]1CNCCO1 ZINC000085620136 387150616 /nfs/dbraw/zinc/15/06/16/387150616.db2.gz SSWSNVNXNPTFEM-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)[C@H](C)CNC(=O)C[C@@H]1CNCCO1 ZINC000085620373 387150931 /nfs/dbraw/zinc/15/09/31/387150931.db2.gz JOTFAFOPFIVFNC-GHMZBOCLSA-N 0 3 228.336 0.773 20 0 BCADHN O=C(C[C@@H]1CNCCO1)NCCC(F)(F)F ZINC000085620149 387151122 /nfs/dbraw/zinc/15/11/22/387151122.db2.gz DWJRYDJCHUEYKC-SSDOTTSWSA-N 0 3 240.225 0.434 20 0 BCADHN CCCCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000367149541 387151554 /nfs/dbraw/zinc/15/15/54/387151554.db2.gz VXPXTSPLLUDTHG-GFCCVEGCSA-N 0 3 239.363 0.683 20 0 BCADHN CS(=O)(=O)NCCN1C[C@H]2CCCCC[C@H]21 ZINC000371134802 387151661 /nfs/dbraw/zinc/15/16/61/387151661.db2.gz VJSCGFNQIBWVDO-GHMZBOCLSA-N 0 3 246.376 0.800 20 0 BCADHN c1c(CNCC2CC2)nnn1C[C@@H]1CCOC1 ZINC000164897445 387155913 /nfs/dbraw/zinc/15/59/13/387155913.db2.gz WNLROOQFNOQVCS-NSHDSACASA-N 0 3 236.319 0.814 20 0 BCADHN CC[C@@H]1CN(C(=O)CN)[C@@H](CC)CN1C(C)=O ZINC000336330063 387157424 /nfs/dbraw/zinc/15/74/24/387157424.db2.gz KHZVHAHGQONKRJ-MNOVXSKESA-N 0 3 241.335 0.193 20 0 BCADHN CCC[C@H](N)C(=O)N1CCn2nc(C)nc2C1 ZINC000353212068 387158577 /nfs/dbraw/zinc/15/85/77/387158577.db2.gz JSGHUNWDTQUUDB-VIFPVBQESA-N 0 3 237.307 0.056 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000353208480 387159361 /nfs/dbraw/zinc/15/93/61/387159361.db2.gz UGWJRYIXWOLGAK-MWLCHTKSSA-N 0 3 236.319 0.367 20 0 BCADHN COC(=O)C1(CNCc2cnc(C)nc2)CC1 ZINC000486920492 533214370 /nfs/dbraw/zinc/21/43/70/533214370.db2.gz NMUFMBMFLKAQRQ-UHFFFAOYSA-N 0 3 235.287 0.828 20 0 BCADHN CC[C@@H](COC)NC(=O)C[C@@H]1CSCCN1 ZINC000085614656 387160857 /nfs/dbraw/zinc/16/08/57/387160857.db2.gz OTADLKJCHRPRIG-VHSXEESVSA-N 0 3 246.376 0.623 20 0 BCADHN C[C@@H](CNC(=O)C1(N)CCC1)Cn1cccn1 ZINC000571757718 387160893 /nfs/dbraw/zinc/16/08/93/387160893.db2.gz FHZPIJSCEXCDRI-JTQLQIEISA-N 0 3 236.319 0.517 20 0 BCADHN COC[C@H](C)CNC(=O)C[C@@H]1CSCCN1 ZINC000085614075 387161837 /nfs/dbraw/zinc/16/18/37/387161837.db2.gz SJEITZQGADYBHK-NXEZZACHSA-N 0 3 246.376 0.480 20 0 BCADHN CSCC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000359772623 387162005 /nfs/dbraw/zinc/16/20/05/387162005.db2.gz YACLPJGSNHNKKR-JTQLQIEISA-N 0 3 248.417 0.903 20 0 BCADHN CN(C(=O)C[C@H]1CNCCO1)[C@H]1CCSC1 ZINC000085619166 387165025 /nfs/dbraw/zinc/16/50/25/387165025.db2.gz VFTNKTFNGXZORR-UWVGGRQHSA-N 0 3 244.360 0.329 20 0 BCADHN CC[C@H](CCO)CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000229253389 387165580 /nfs/dbraw/zinc/16/55/80/387165580.db2.gz LFFJAUFUIMYHCV-QJPTWQEYSA-N 0 3 242.363 0.899 20 0 BCADHN CSCCCN(C)[C@]1(CO)CCOC1 ZINC000359811686 387166232 /nfs/dbraw/zinc/16/62/32/387166232.db2.gz QDBRULWTMHHEJV-JTQLQIEISA-N 0 3 219.350 0.823 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1O ZINC000187147055 387170042 /nfs/dbraw/zinc/17/00/42/387170042.db2.gz AOQSOYULBRQWPO-GHMZBOCLSA-N 0 3 228.336 0.746 20 0 BCADHN Cc1nccn1CCN1CC[C@H](O)[C@@H](C)C1 ZINC000229574228 387172115 /nfs/dbraw/zinc/17/21/15/387172115.db2.gz GZYFVPINCCNVSB-JQWIXIFHSA-N 0 3 223.320 0.894 20 0 BCADHN COC(=O)C1(CN2CCN(C)C(C)(C)C2)CC1 ZINC000571815938 387175305 /nfs/dbraw/zinc/17/53/05/387175305.db2.gz PWXUOCZSINLBKB-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000353309927 387176516 /nfs/dbraw/zinc/17/65/16/387176516.db2.gz QVKXPUGEOZKGFN-MXWKQRLJSA-N 0 3 228.336 0.602 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCC1(C)COC1 ZINC000353300885 387176575 /nfs/dbraw/zinc/17/65/75/387176575.db2.gz FNSOLOQMOURHEG-SECBINFHSA-N 0 3 229.324 0.272 20 0 BCADHN CO[C@@H]1CCC[C@H]1CNC(=O)[C@@H](N)C(C)C ZINC000353317845 387178717 /nfs/dbraw/zinc/17/87/17/387178717.db2.gz XHDXXXCZCFVWQE-AXFHLTTASA-N 0 3 228.336 0.901 20 0 BCADHN CCC[C@H](N)C(=O)N1CCO[C@H](C(C)C)C1 ZINC000353330124 387181191 /nfs/dbraw/zinc/18/11/91/387181191.db2.gz SEPPHSOHOIUUOM-QWRGUYRKSA-N 0 3 228.336 0.997 20 0 BCADHN CCN(CC(=O)NCCC(=O)OC)CC(C)C ZINC000120100248 387183761 /nfs/dbraw/zinc/18/37/61/387183761.db2.gz LKGHXHTVZHAWDW-UHFFFAOYSA-N 0 3 244.335 0.644 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000229587490 387185224 /nfs/dbraw/zinc/18/52/24/387185224.db2.gz HEPPSUMYWXYCPG-JLLWLGSASA-N 0 3 240.347 0.868 20 0 BCADHN CO[C@H](CN(CCO)CCO)c1ccccc1 ZINC000284364726 387186464 /nfs/dbraw/zinc/18/64/64/387186464.db2.gz KVQDAGUUHFQYDH-CYBMUJFWSA-N 0 3 239.315 0.661 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000229706599 387194169 /nfs/dbraw/zinc/19/41/69/387194169.db2.gz MXRXTGPFMLOCLG-VXNVDRBHSA-N 0 3 242.348 0.667 20 0 BCADHN COCCNCCNC(=O)NCCC1(C)CC1 ZINC000418104601 387133572 /nfs/dbraw/zinc/13/35/72/387133572.db2.gz XZIXFKPGXXJZHX-UHFFFAOYSA-N 0 3 243.351 0.712 20 0 BCADHN CN(C)[C@]1(CNC(=O)NC2CC2)CCSC1 ZINC000359606789 387133712 /nfs/dbraw/zinc/13/37/12/387133712.db2.gz ZOXLHFDFZOBNGL-NSHDSACASA-N 0 3 243.376 0.885 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H](CO)C1CCCC1 ZINC000359623102 387135833 /nfs/dbraw/zinc/13/58/33/387135833.db2.gz ISJDHQGDGNIWEW-GFCCVEGCSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)(C)CN1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000370714769 387136625 /nfs/dbraw/zinc/13/66/25/387136625.db2.gz CUODNEPZUKNVDS-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](C(=O)N(C)C)N(C)CCN(C)C1CC1 ZINC000186795424 387136664 /nfs/dbraw/zinc/13/66/64/387136664.db2.gz RUPFHBOVTVMSQN-JTQLQIEISA-N 0 3 227.352 0.489 20 0 BCADHN C[C@H](CF)NC(=O)NCCN(C)C1CC1 ZINC000353119171 387140099 /nfs/dbraw/zinc/14/00/99/387140099.db2.gz ZEDVWPLUMUGLRL-MRVPVSSYSA-N 0 3 217.288 0.738 20 0 BCADHN CC[C@@H](N)C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000571911338 387203899 /nfs/dbraw/zinc/20/38/99/387203899.db2.gz CVSKJEQMKONIBI-SNVBAGLBSA-N 0 3 237.303 0.758 20 0 BCADHN CN(Cc1ccncc1)C(=O)C(N)C(F)(F)F ZINC000353454012 387204290 /nfs/dbraw/zinc/20/42/90/387204290.db2.gz SXWBJIGERXWQMF-QMMMGPOBSA-N 0 3 247.220 0.930 20 0 BCADHN CO[C@@](C)(C(=O)NC[C@H](C)N(C)C)C1CC1 ZINC000359980926 387204655 /nfs/dbraw/zinc/20/46/55/387204655.db2.gz IPDGSEUAMHIHJL-JOYOIKCWSA-N 0 3 228.336 0.868 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H](C)c1csc(C)n1 ZINC000353458921 387204662 /nfs/dbraw/zinc/20/46/62/387204662.db2.gz KUQJDFJGYUGVIL-IMTBSYHQSA-N 0 3 243.332 0.602 20 0 BCADHN CN(Cc1cnccn1)C(=O)C(N)C(F)(F)F ZINC000353449645 387205496 /nfs/dbraw/zinc/20/54/96/387205496.db2.gz OBEFUDJTMQNDEQ-ZETCQYMHSA-N 0 3 248.208 0.325 20 0 BCADHN Cc1nccn1CCN1CC[C@@H](O)[C@@H](C)C1 ZINC000229913990 387206452 /nfs/dbraw/zinc/20/64/52/387206452.db2.gz GZYFVPINCCNVSB-CMPLNLGQSA-N 0 3 223.320 0.894 20 0 BCADHN COC(=O)CCCCNC(=O)[C@H](N)C(C)C ZINC000353473876 387209140 /nfs/dbraw/zinc/20/91/40/387209140.db2.gz TXVBMELQRAKVCJ-SNVBAGLBSA-N 0 3 230.308 0.429 20 0 BCADHN NC(C(=O)NCc1nccs1)C(F)(F)F ZINC000353474404 387209218 /nfs/dbraw/zinc/20/92/18/387209218.db2.gz WFWLIHYTCWTAHP-RXMQYKEDSA-N 0 3 239.222 0.649 20 0 BCADHN CC(C)N1CCC[C@H](N2CC[C@H](CO)C2)C1=O ZINC000336379379 387209578 /nfs/dbraw/zinc/20/95/78/387209578.db2.gz UHSVTQYZXPUFCU-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCCCC(=O)OC ZINC000353471374 387210682 /nfs/dbraw/zinc/21/06/82/387210682.db2.gz MESHABUAEFNRCW-LBPRGKRZSA-N 0 3 244.335 0.963 20 0 BCADHN CC(C)N(C)CC(=O)N1CCN(C)CC[C@H]1C ZINC000336381383 387211048 /nfs/dbraw/zinc/21/10/48/387211048.db2.gz ZQDOOYLIQRHXHH-GFCCVEGCSA-N 0 3 241.379 0.879 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N(CCO)CC1CC1 ZINC000352451082 387211230 /nfs/dbraw/zinc/21/12/30/387211230.db2.gz VATBLMWWDVBGDO-JTQLQIEISA-N 0 3 242.363 0.994 20 0 BCADHN Cc1nnc2c(N(C)CCN(C)C)nccn12 ZINC000353498035 387214251 /nfs/dbraw/zinc/21/42/51/387214251.db2.gz YOTRVUFPRHRCNI-UHFFFAOYSA-N 0 3 234.307 0.431 20 0 BCADHN CCN(CC(=O)N1CCNC1=O)[C@@H](C)C(C)C ZINC000120231968 387215638 /nfs/dbraw/zinc/21/56/38/387215638.db2.gz MRVBBDZPWMIPQJ-JTQLQIEISA-N 0 3 241.335 0.905 20 0 BCADHN CC[C@H](CO)N(C)CCNC(=O)NC(C)C ZINC000571997079 387216610 /nfs/dbraw/zinc/21/66/10/387216610.db2.gz RTJJJSCKRCMWTO-SNVBAGLBSA-N 0 3 231.340 0.397 20 0 BCADHN Cc1ccnc([C@H](C)NC[C@@H](O)CN(C)C)c1 ZINC000353506463 387218015 /nfs/dbraw/zinc/21/80/15/387218015.db2.gz YPUCEPFULQCAKY-NWDGAFQWSA-N 0 3 237.347 0.963 20 0 BCADHN CN(CCNC(=O)CCc1ncccn1)C1CC1 ZINC000360033483 387218591 /nfs/dbraw/zinc/21/85/91/387218591.db2.gz QOQOIKQYLCYHIR-UHFFFAOYSA-N 0 3 248.330 0.620 20 0 BCADHN Cc1nc(C2CCN(CCCO)CC2)no1 ZINC000371487406 387222051 /nfs/dbraw/zinc/22/20/51/387222051.db2.gz DDKAVZOTLBAQCF-UHFFFAOYSA-N 0 3 225.292 0.940 20 0 BCADHN CC(C)[C@](C)(O)C(=O)NCCOCCN(C)C ZINC000353535213 387224272 /nfs/dbraw/zinc/22/42/72/387224272.db2.gz MTCCCXXEWQEJLB-LBPRGKRZSA-N 0 3 246.351 0.088 20 0 BCADHN COCC1=CCN(CCOCCO)CC1 ZINC000187691344 387224366 /nfs/dbraw/zinc/22/43/66/387224366.db2.gz UAKBABWHEPGUNH-UHFFFAOYSA-N 0 3 215.293 0.274 20 0 BCADHN CN(C)CCOCCNCc1nccn1C ZINC000230004689 387225037 /nfs/dbraw/zinc/22/50/37/387225037.db2.gz MTCKDGDKYYJOHH-UHFFFAOYSA-N 0 3 226.324 0.088 20 0 BCADHN CCN(CC)CC(=O)NCc1ccncn1 ZINC000353545009 387225390 /nfs/dbraw/zinc/22/53/90/387225390.db2.gz CFRALHRPGSPDHZ-UHFFFAOYSA-N 0 3 222.292 0.435 20 0 BCADHN CCCCN(C)CCNC(=O)c1cnc[nH]1 ZINC000352462568 387227446 /nfs/dbraw/zinc/22/74/46/387227446.db2.gz SOIHXBFPFUUOQX-UHFFFAOYSA-N 0 3 224.308 0.871 20 0 BCADHN CCOC[C@H](C)N[C@H]1CCC(=O)N(C)C1=O ZINC000230063494 387228385 /nfs/dbraw/zinc/22/83/85/387228385.db2.gz RBZRBGTXIBCSCG-IUCAKERBSA-N 0 3 228.292 0.148 20 0 BCADHN CC(C)[C@](C)(O)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000353568788 387232913 /nfs/dbraw/zinc/23/29/13/387232913.db2.gz FUYDMYCWSOXQFO-MDZLAQPJSA-N 0 3 242.363 0.992 20 0 BCADHN CCOCCOC[C@@H](O)CNCc1cc[nH]c1 ZINC000360153277 387233422 /nfs/dbraw/zinc/23/34/22/387233422.db2.gz HEAZYTVTWJVKID-LBPRGKRZSA-N 0 3 242.319 0.518 20 0 BCADHN CC(C)[C@@](C)(O)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000353568792 387233446 /nfs/dbraw/zinc/23/34/46/387233446.db2.gz FUYDMYCWSOXQFO-NQBHXWOUSA-N 0 3 242.363 0.992 20 0 BCADHN COC[C@H]1CN(C(=O)C2(N)CCC2)C[C@@H](C)O1 ZINC000572117928 387237982 /nfs/dbraw/zinc/23/79/82/387237982.db2.gz OAIIQEFHMKDUNL-NXEZZACHSA-N 0 3 242.319 0.130 20 0 BCADHN 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ZINC000424677832 387245403 /nfs/dbraw/zinc/24/54/03/387245403.db2.gz ARQYQOPMXQPMIZ-CMPLNLGQSA-N 0 3 246.326 0.819 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H](OC)CC1 ZINC000371737613 387246065 /nfs/dbraw/zinc/24/60/65/387246065.db2.gz VYDJKMLTGSJMMO-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cn[nH]c1 ZINC000285000922 387247888 /nfs/dbraw/zinc/24/78/88/387247888.db2.gz GUSREKIPTIOUTK-WCABBAIRSA-N 0 3 207.277 0.997 20 0 BCADHN CN(C)C1(CN(C)[C@H]2CCNC2=O)CCC1 ZINC000187977949 387249708 /nfs/dbraw/zinc/24/97/08/387249708.db2.gz SXIFXKXEZOQBGV-JTQLQIEISA-N 0 3 225.336 0.291 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(CNC(C)=O)cc1 ZINC000572153467 387250053 /nfs/dbraw/zinc/25/00/53/387250053.db2.gz ZAVBZYGVPQGORN-GFCCVEGCSA-N 0 3 249.314 0.999 20 0 BCADHN CN(C)C1(CN(C)[C@@H]2CCN(C)C2=O)CCC1 ZINC000187975937 387250111 /nfs/dbraw/zinc/25/01/11/387250111.db2.gz DZNOLLGGOPDIAV-LLVKDONJSA-N 0 3 239.363 0.633 20 0 BCADHN COC(=O)[C@@H]1CC[C@H]1C(=O)N(C)CCN(C)C ZINC000353658936 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0.750 20 0 BCADHN CC(=O)c1ccc(C(=O)N[C@@H](C)CN(C)C)[nH]1 ZINC000354576734 387398356 /nfs/dbraw/zinc/39/83/56/387398356.db2.gz LBGJYYQKIQOIHG-QMMMGPOBSA-N 0 3 237.303 0.897 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1C2CCC1CC2 ZINC000515629328 387404316 /nfs/dbraw/zinc/40/43/16/387404316.db2.gz NHWDVHNHVZJLQO-RTYFJBAXSA-N 0 3 227.304 0.927 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)COC(F)F ZINC000352644481 387405012 /nfs/dbraw/zinc/40/50/12/387405012.db2.gz PQORWWMOJOJZGQ-MRVPVSSYSA-N 0 3 236.262 0.778 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)COC(F)F)CCCN1C ZINC000354622579 387405071 /nfs/dbraw/zinc/40/50/71/387405071.db2.gz ZJWFRTOLZITKJC-SFYZADRCSA-N 0 3 236.262 0.825 20 0 BCADHN CO[C@@H]1CCC[C@@H]1CNC(=O)C1(N)CCC1 ZINC000423737751 387405333 /nfs/dbraw/zinc/40/53/33/387405333.db2.gz DDUFEKZKFWDCBI-NXEZZACHSA-N 0 3 226.320 0.799 20 0 BCADHN CCOCCNC(=O)CN(C)C[C@@H]1CCOC1 ZINC000084715615 387460613 /nfs/dbraw/zinc/46/06/13/387460613.db2.gz QBLHQQWADIGLPD-NSHDSACASA-N 0 3 244.335 0.107 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CCC[C@H]1CN(C)C ZINC000352644933 387406278 /nfs/dbraw/zinc/40/62/78/387406278.db2.gz QSWPIYDPCYVENL-WDEREUQCSA-N 0 3 228.336 0.556 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@H](O)C1(C)C ZINC000361150258 387406263 /nfs/dbraw/zinc/40/62/63/387406263.db2.gz PJRUZIMDRGPGMY-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN CC[C@H](N)C(=O)NCCc1cnc(C2CC2)nc1 ZINC000515644628 387406994 /nfs/dbraw/zinc/40/69/94/387406994.db2.gz FLWNNTCZLPQUPW-NSHDSACASA-N 0 3 248.330 0.750 20 0 BCADHN CCN(CCNC(=O)N[C@H](C)COC)C1CC1 ZINC000354628852 387407387 /nfs/dbraw/zinc/40/73/87/387407387.db2.gz SUYFTAHBOJAVPR-SNVBAGLBSA-N 0 3 243.351 0.805 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@H]1C[C@H](C)CCN1 ZINC000423745508 387407861 /nfs/dbraw/zinc/40/78/61/387407861.db2.gz PQYBOWIIARWWIB-NXEZZACHSA-N 0 3 242.319 0.396 20 0 BCADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000423750872 387409846 /nfs/dbraw/zinc/40/98/46/387409846.db2.gz AKCZJQGOXQUWPH-CRCLSJGQSA-N 0 3 240.263 0.118 20 0 BCADHN NC(C(=O)N[C@@H]1CCCC[C@H]1O)C(F)(F)F ZINC000423751406 387409940 /nfs/dbraw/zinc/40/99/40/387409940.db2.gz FIKMBERAENEBRM-FSDSQADBSA-N 0 3 240.225 0.296 20 0 BCADHN COC[C@H](N[C@@H](C)C(=O)N(C)C)C(C)C ZINC000083399679 387410349 /nfs/dbraw/zinc/41/03/49/387410349.db2.gz YGISXOMCJLVWCM-UWVGGRQHSA-N 0 3 216.325 0.724 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCC1(C(=O)OC)CC1 ZINC000423758014 387410673 /nfs/dbraw/zinc/41/06/73/387410673.db2.gz DVJLOQQKHGTIAX-DTWKUNHWSA-N 0 3 242.319 0.429 20 0 BCADHN COC(=O)CCN(C(=O)[C@@H](C)N)C(C)C ZINC000423759704 387413512 /nfs/dbraw/zinc/41/35/12/387413512.db2.gz PEUTZWJBCBXRMX-MRVPVSSYSA-N 0 3 216.281 0.134 20 0 BCADHN CN(C)c1cccc(NC(=O)C2(N)CCC2)n1 ZINC000423760203 387414184 /nfs/dbraw/zinc/41/41/84/387414184.db2.gz JJPNJXSLDDAWKE-UHFFFAOYSA-N 0 3 234.303 0.968 20 0 BCADHN Cc1ccc(NC(=O)C2(N)CCC2)c(=O)[nH]1 ZINC000423760277 387414629 /nfs/dbraw/zinc/41/46/29/387414629.db2.gz QBZMLDGUTPVDAI-UHFFFAOYSA-N 0 3 221.260 0.916 20 0 BCADHN CC[C@@H](C)CCC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000354669988 387415392 /nfs/dbraw/zinc/41/53/92/387415392.db2.gz AFNRHCYAYNBTJI-YPMHNXCESA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ncccc1[O-] ZINC000423762895 387415965 /nfs/dbraw/zinc/41/59/65/387415965.db2.gz VGNGSHRDVXTQTM-GZMMTYOYSA-N 0 3 237.303 0.777 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000423763183 387416231 /nfs/dbraw/zinc/41/62/31/387416231.db2.gz PHAXAQJXFURBNV-LPEHRKFASA-N 0 3 243.351 0.247 20 0 BCADHN CC[C@]1(O)CCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000336592132 387416941 /nfs/dbraw/zinc/41/69/41/387416941.db2.gz KHTARXSBPIWLAR-AAEUAGOBSA-N 0 3 238.331 0.597 20 0 BCADHN CSCCN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000374075794 387417206 /nfs/dbraw/zinc/41/72/06/387417206.db2.gz WYIOJLNLUQVLHM-BDAKNGLRSA-N 0 3 230.333 0.780 20 0 BCADHN CN1CC=C(CNC(=O)[C@@H]2CCCCO2)CC1 ZINC000336594480 387419168 /nfs/dbraw/zinc/41/91/68/387419168.db2.gz WPKPNWVONHCGEM-LBPRGKRZSA-N 0 3 238.331 0.934 20 0 BCADHN CC(C)C[C@@H](C)NC(=O)CCOC1CNC1 ZINC000423767435 387419245 /nfs/dbraw/zinc/41/92/45/387419245.db2.gz XDVLNIHMDWNZED-SNVBAGLBSA-N 0 3 228.336 0.916 20 0 BCADHN CN(CCNC(=O)NCC1CC1)C1CC1 ZINC000352656375 387420282 /nfs/dbraw/zinc/42/02/82/387420282.db2.gz NJHNAVFVEWHRLS-UHFFFAOYSA-N 0 3 211.309 0.790 20 0 BCADHN CCCN[C@@H](C)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000423771822 387420403 /nfs/dbraw/zinc/42/04/03/387420403.db2.gz JGZSABDZKIXBSX-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN O=C(CNCC1CC1)Nc1ccc2nncn2c1 ZINC000423775085 387422088 /nfs/dbraw/zinc/42/20/88/387422088.db2.gz LVRFGXIUFURRPR-UHFFFAOYSA-N 0 3 245.286 0.667 20 0 BCADHN CC[C@H](O)CN1CCC(NC(=O)C(C)C)CC1 ZINC000303991839 387422321 /nfs/dbraw/zinc/42/23/21/387422321.db2.gz MBXXXXHLVHBDBA-LBPRGKRZSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](O)[C@H]1CCCCN1CC(=O)N(C)C ZINC000303992525 387422353 /nfs/dbraw/zinc/42/23/53/387422353.db2.gz NBMXJDNEOKSUIB-NXEZZACHSA-N 0 3 214.309 0.310 20 0 BCADHN Cc1n[nH]c(C)c1NC(=O)CNC1CC1 ZINC000037386622 387423220 /nfs/dbraw/zinc/42/32/20/387423220.db2.gz WFRFGHWEGSFHJB-UHFFFAOYSA-N 0 3 208.265 0.717 20 0 BCADHN CCN(C[C@@H](C)OC)[C@H]1CCN(C)C1=O ZINC000361564477 387493604 /nfs/dbraw/zinc/49/36/04/387493604.db2.gz MITPOEZRNGERCK-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN CCN(C[C@@H](C)OC)[C@@H]1CCCNC1=O ZINC000361567012 387495046 /nfs/dbraw/zinc/49/50/46/387495046.db2.gz VTPNVONRDZGULD-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CSCCN(C)C(=O)CNC[C@@H]1CCCO1 ZINC000516296485 387496732 /nfs/dbraw/zinc/49/67/32/387496732.db2.gz FXDIDTNWAVLQKS-JTQLQIEISA-N 0 3 246.376 0.576 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@@H]1COC(C)(C)C1 ZINC000396830300 387497626 /nfs/dbraw/zinc/49/76/26/387497626.db2.gz QBWJHNNRCKSUGV-BDAKNGLRSA-N 0 3 214.309 0.668 20 0 BCADHN CO[C@H](C)CC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000374876440 387497747 /nfs/dbraw/zinc/49/77/47/387497747.db2.gz NVEQKELRMNRYKJ-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN COC(=O)c1ccc(CNC(=O)[C@@H](C)N)cc1 ZINC000040428836 387498122 /nfs/dbraw/zinc/49/81/22/387498122.db2.gz NOKSFYIOPVPMFS-MRVPVSSYSA-N 0 3 236.271 0.437 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)C(=O)[C@H]1CCN(C)C1 ZINC000516323528 387499545 /nfs/dbraw/zinc/49/95/45/387499545.db2.gz YHGXPWHLEJYYSG-LSYCYVAJSA-N 0 3 246.376 0.164 20 0 BCADHN Cc1c[nH]nc1CN[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000352809083 387500461 /nfs/dbraw/zinc/50/04/61/387500461.db2.gz FSCKYLNZYAEKQO-VHSXEESVSA-N 0 3 236.319 0.852 20 0 BCADHN CC(C)CCOCCN1CC[C@H](O)[C@H](CO)C1 ZINC000396843432 387500758 /nfs/dbraw/zinc/50/07/58/387500758.db2.gz IVRSBGXUEUEDJZ-STQMWFEESA-N 0 3 245.363 0.724 20 0 BCADHN C[C@@H]1OCC[C@@H]1N(CCO)CCCF ZINC000361580251 387502607 /nfs/dbraw/zinc/50/26/07/387502607.db2.gz WPUAKBUUFBDJDZ-UWVGGRQHSA-N 0 3 205.273 0.818 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N(C)CC(C)(C)O ZINC000304682014 387503964 /nfs/dbraw/zinc/50/39/64/387503964.db2.gz FGBTYMHLYANLJF-SNVBAGLBSA-N 0 3 230.352 0.944 20 0 BCADHN C[C@H](O)CCCN1CCN(CCO)[C@H](C)C1 ZINC000355238462 387504157 /nfs/dbraw/zinc/50/41/57/387504157.db2.gz KJGUSKJFIJEYQY-NEPJUHHUSA-N 0 3 230.352 0.146 20 0 BCADHN O=C1NCCN1CCN1CC[C@H](n2cccn2)C1 ZINC000361588501 387505419 /nfs/dbraw/zinc/50/54/19/387505419.db2.gz FIZQZCHKFFVUHW-NSHDSACASA-N 0 3 249.318 0.155 20 0 BCADHN CN(C)CCNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000516376066 387505670 /nfs/dbraw/zinc/50/56/70/387505670.db2.gz ULUKPNUOLVMIEC-UHFFFAOYSA-N 0 3 248.286 0.961 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1cc(C)n[nH]1 ZINC000648079603 387508602 /nfs/dbraw/zinc/50/86/02/387508602.db2.gz CNBDYMXWUHZHGE-XVKPBYJWSA-N 0 3 224.308 0.708 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1cc(C)[nH]n1 ZINC000648079603 387508604 /nfs/dbraw/zinc/50/86/04/387508604.db2.gz CNBDYMXWUHZHGE-XVKPBYJWSA-N 0 3 224.308 0.708 20 0 BCADHN CNS(=O)(=O)CCCN1CCC(C)=C(C)C1 ZINC000361611661 387509582 /nfs/dbraw/zinc/50/95/82/387509582.db2.gz RFNJGCVDHNWMQS-UHFFFAOYSA-N 0 3 246.376 0.968 20 0 BCADHN C[C@H](O)CCCN1CCCC[C@]1(C)C(N)=O ZINC000355274963 387510302 /nfs/dbraw/zinc/51/03/02/387510302.db2.gz KJCYXMYYQRNWLJ-CMPLNLGQSA-N 0 3 228.336 0.877 20 0 BCADHN C[C@H](O)CCCN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000355300339 387515739 /nfs/dbraw/zinc/51/57/39/387515739.db2.gz ZQZFHYOZFRVTJA-OUAUKWLOSA-N 0 3 228.336 0.733 20 0 BCADHN CC1(C)C[C@H](NC[C@H](O)C(F)F)CO1 ZINC000396922661 387515959 /nfs/dbraw/zinc/51/59/59/387515959.db2.gz SNWYXQWYQPOVHF-BQBZGAKWSA-N 0 3 209.236 0.770 20 0 BCADHN CC[C@H](C(=O)N1C[C@H](C)C[C@H](CO)C1)N(C)C ZINC000421992684 387517174 /nfs/dbraw/zinc/51/71/74/387517174.db2.gz XFRQSZLAIUYWSE-GRYCIOLGSA-N 0 3 242.363 0.804 20 0 BCADHN CN(CCOCC(F)(F)F)[C@@H]1COC[C@@H]1O ZINC000352820457 387517254 /nfs/dbraw/zinc/51/72/54/387517254.db2.gz YSZHSVFANZOOTB-SFYZADRCSA-N 0 3 243.225 0.257 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](C)C[C@@H](CO)C1 ZINC000421991393 387517959 /nfs/dbraw/zinc/51/79/59/387517959.db2.gz WHQVHJUVKFLQDK-VXGBXAGGSA-N 0 3 242.363 0.804 20 0 BCADHN C[Si](C)(C)CN1CCN2CCOC[C@H]2C1 ZINC000375241641 387518238 /nfs/dbraw/zinc/51/82/38/387518238.db2.gz LNLDSOZTSNPLEA-LLVKDONJSA-N 0 3 228.412 0.880 20 0 BCADHN COC(=O)C1(C(=O)NCCN(C)C2CC2)CC1 ZINC000361653107 387518803 /nfs/dbraw/zinc/51/88/03/387518803.db2.gz ZBVGEKGATBVPRS-UHFFFAOYSA-N 0 3 240.303 0.150 20 0 BCADHN C[C@H](O)CN1CCC(C(=O)N2CCCC2)CC1 ZINC000192689825 387523745 /nfs/dbraw/zinc/52/37/45/387523745.db2.gz JZEAQTHFJIKFHD-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H](O)CN1CCN(C[C@@H]2CCSC2)CC1 ZINC000426163812 387544812 /nfs/dbraw/zinc/54/48/12/387544812.db2.gz XEGNJFCHQOERCL-RYUDHWBXSA-N 0 3 244.404 0.738 20 0 BCADHN C[C@@H](O)CN(CCO)CCOCC(F)(F)F ZINC000192719816 387526231 /nfs/dbraw/zinc/52/62/31/387526231.db2.gz NJIMRMWUZRCANI-MRVPVSSYSA-N 0 3 245.241 0.240 20 0 BCADHN CC[C@H](O)CN1CCC(N2CCCC2=O)CC1 ZINC000106386308 387527033 /nfs/dbraw/zinc/52/70/33/387527033.db2.gz SBDGYZPAAJMPRF-LBPRGKRZSA-N 0 3 240.347 0.844 20 0 BCADHN CCCCn1nccc1NC(=O)[C@@H]1C[C@@H]1N ZINC000424101724 387527459 /nfs/dbraw/zinc/52/74/59/387527459.db2.gz PIQVTCWTIVPCBI-BDAKNGLRSA-N 0 3 222.292 0.969 20 0 BCADHN c1ncn([C@@H]2CCN(C[C@@H]3CCCO3)C2)n1 ZINC000375320919 387527667 /nfs/dbraw/zinc/52/76/67/387527667.db2.gz UPTIRCBMEZVZRK-MNOVXSKESA-N 0 3 222.292 0.704 20 0 BCADHN CC1(C)C[C@H](NCC(=O)NCC2CC2)CO1 ZINC000396986396 387528470 /nfs/dbraw/zinc/52/84/70/387528470.db2.gz WJFGNHKPTJOQLD-JTQLQIEISA-N 0 3 226.320 0.670 20 0 BCADHN C[C@]1(O)CCCN(CC2N=NC(=O)S2)CC1 ZINC000375359301 387532128 /nfs/dbraw/zinc/53/21/28/387532128.db2.gz CPPKRBXSCAXSRE-JTQLQIEISA-N 0 3 243.332 0.981 20 0 BCADHN Cn1c2cc(NC(=O)[C@@H]3C[C@@H]3N)ccc2oc1=O ZINC000424109731 387534187 /nfs/dbraw/zinc/53/41/87/387534187.db2.gz BDAMPOVMSIMXKM-SFYZADRCSA-N 0 3 247.254 0.417 20 0 BCADHN C[C@@H]1CN(C[C@H]2CCSC2)C[C@H](CO)O1 ZINC000425990600 387536221 /nfs/dbraw/zinc/53/62/21/387536221.db2.gz NLSWFTCLKBLMIE-GMTAPVOTSA-N 0 3 231.361 0.821 20 0 BCADHN CC[C@@H](CN(CCO)CCCO)OC ZINC000397072021 387538126 /nfs/dbraw/zinc/53/81/26/387538126.db2.gz ZVDOMLAULFWWAE-JTQLQIEISA-N 0 3 205.298 0.088 20 0 BCADHN CN(C)CC(=O)N(C)C[C@H]1CCCN1C ZINC000422016438 387538127 /nfs/dbraw/zinc/53/81/27/387538127.db2.gz GQEVFTVRQLUKMB-SNVBAGLBSA-N 0 3 213.325 0.101 20 0 BCADHN COC[C@@H](C)NC(=O)C12CCCN1CCC2 ZINC000355505994 387544659 /nfs/dbraw/zinc/54/46/59/387544659.db2.gz HQMXVPJBHOBBKO-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CCc1ccc([O-])c(C(=O)N(C)CC[NH3+])c1 ZINC000424003808 387464105 /nfs/dbraw/zinc/46/41/05/387464105.db2.gz PWBHUFUVSWRHOX-UHFFFAOYSA-N 0 3 222.288 0.985 20 0 BCADHN C[C@@H](CO)CNC(=O)NCCN(C)C1CC1 ZINC000352739170 387464260 /nfs/dbraw/zinc/46/42/60/387464260.db2.gz LVSKVFJCPYNGCJ-SECBINFHSA-N 0 3 229.324 0.008 20 0 BCADHN CN(C)c1noc([C@H]2CCCN(CCO)C2)n1 ZINC000374530005 387464502 /nfs/dbraw/zinc/46/45/02/387464502.db2.gz KPURJWDUUCCCAB-VIFPVBQESA-N 0 3 240.307 0.307 20 0 BCADHN COC[C@@H](C)CNC(=O)NCCN(C)C1CC1 ZINC000352738294 387465086 /nfs/dbraw/zinc/46/50/86/387465086.db2.gz IFTZUAQMBFDSSX-JTQLQIEISA-N 0 3 243.351 0.662 20 0 BCADHN Cn1cc(CN2CCC[C@H](c3nnc[nH]3)C2)cn1 ZINC000374540998 387465354 /nfs/dbraw/zinc/46/53/54/387465354.db2.gz IRTAINZLXVNDRS-NSHDSACASA-N 0 3 246.318 0.918 20 0 BCADHN CCN(CCC1CC1)CC(=O)NC(=O)NC ZINC000355029481 387465477 /nfs/dbraw/zinc/46/54/77/387465477.db2.gz ANANXILWPRUCPN-UHFFFAOYSA-N 0 3 227.308 0.564 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)NCCN(C)C1CC1 ZINC000352740295 387466529 /nfs/dbraw/zinc/46/65/29/387466529.db2.gz RTVGWCAMUHCDRD-PSASIEDQSA-N 0 3 211.309 0.788 20 0 BCADHN CCCC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000122083275 387466625 /nfs/dbraw/zinc/46/66/25/387466625.db2.gz YQMOUHMOCBQYSG-LBPRGKRZSA-N 0 3 241.379 0.786 20 0 BCADHN CC(C)CCN(C)CC(=O)NC(N)=O ZINC000052246075 387467852 /nfs/dbraw/zinc/46/78/52/387467852.db2.gz BKGCJUHDOPOLLV-UHFFFAOYSA-N 0 3 201.270 0.159 20 0 BCADHN CCN(CC(=O)NC(=O)NC)CC1CCC1 ZINC000361480762 387469506 /nfs/dbraw/zinc/46/95/06/387469506.db2.gz FRWAQYPROQHCJY-UHFFFAOYSA-N 0 3 227.308 0.564 20 0 BCADHN CCN(CC1CCC1)[C@@H](C)C(=O)NC(=O)NC ZINC000361484100 387469627 /nfs/dbraw/zinc/46/96/27/387469627.db2.gz HPMPQOAVTIUYIK-VIFPVBQESA-N 0 3 241.335 0.953 20 0 BCADHN CN(C)CCNC(=O)C[C@H]1CCOC1 ZINC000352753573 387472506 /nfs/dbraw/zinc/47/25/06/387472506.db2.gz PTBURORTKZAZQD-SECBINFHSA-N 0 3 200.282 0.091 20 0 BCADHN CC[C@H](C)CNC(=O)CNC[C@H]1CCCO1 ZINC000424056386 387472872 /nfs/dbraw/zinc/47/28/72/387472872.db2.gz KJGCGHXSUMRYBC-WDEREUQCSA-N 0 3 228.336 0.917 20 0 BCADHN c1nnc2c(N3CCN4CCC3CC4)nccn12 ZINC000375485947 387544736 /nfs/dbraw/zinc/54/47/36/387544736.db2.gz RPMQYFRYJXYPSG-UHFFFAOYSA-N 0 3 244.302 0.409 20 0 BCADHN COC(=O)CCCCCNC(=O)[C@@H]1C[C@@H]1N ZINC000424066016 387477045 /nfs/dbraw/zinc/47/70/45/387477045.db2.gz MTTSRIVKEVHRQX-BDAKNGLRSA-N 0 3 228.292 0.183 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CCCN1C ZINC000114076546 387477384 /nfs/dbraw/zinc/47/73/84/387477384.db2.gz AXBZLDICZJFNOH-SNVBAGLBSA-N 0 3 213.325 0.149 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCC[C@@H]1CCOC1 ZINC000355104651 387480016 /nfs/dbraw/zinc/48/00/16/387480016.db2.gz RQFFMLVIETYBKP-GHMZBOCLSA-N 0 3 243.351 0.662 20 0 BCADHN CC(=O)Nc1cccc(CNC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000424078153 387480439 /nfs/dbraw/zinc/48/04/39/387480439.db2.gz DAXISTAQXXMIHV-NEPJUHHUSA-N 0 3 247.298 0.608 20 0 BCADHN COC[C@@H](C)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355106536 387481525 /nfs/dbraw/zinc/48/15/25/387481525.db2.gz XLXVOWUMHQUZRH-MWLCHTKSSA-N 0 3 241.335 0.557 20 0 BCADHN NS(=O)(=O)C[C@@H]1CCCN(CCCF)C1 ZINC000361531200 387481610 /nfs/dbraw/zinc/48/16/10/387481610.db2.gz POHNPGNQCAFFMN-SECBINFHSA-N 0 3 238.328 0.347 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000424083034 387481947 /nfs/dbraw/zinc/48/19/47/387481947.db2.gz MWOHQIKYIDVNGI-JGVFFNPUSA-N 0 3 247.254 0.303 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCOc1ccccc1F ZINC000424083419 387483240 /nfs/dbraw/zinc/48/32/40/387483240.db2.gz XJMFMDGFVFWRQM-WCBMZHEXSA-N 0 3 238.262 0.668 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@H](OC)CC1 ZINC000374694145 387483692 /nfs/dbraw/zinc/48/36/92/387483692.db2.gz NLLAQWODSGSJHH-ZJUUUORDSA-N 0 3 214.309 0.751 20 0 BCADHN COC[C@@H](C)CN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000527116533 387484551 /nfs/dbraw/zinc/48/45/51/387484551.db2.gz YNHMHQQTFSHPLG-WDEREUQCSA-N 0 3 249.376 0.635 20 0 BCADHN CN1CCC(C(=O)NC(C)(C)C(C)(C)O)CC1 ZINC000336632217 387484725 /nfs/dbraw/zinc/48/47/25/387484725.db2.gz HNUKBVRWSTZTDB-UHFFFAOYSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@@H](C(=O)N(C)CC[C@@H](C)O)N(C)C ZINC000122128682 387485906 /nfs/dbraw/zinc/48/59/06/387485906.db2.gz USKDCVBGSSTSDQ-ZJUUUORDSA-N 0 3 216.325 0.556 20 0 BCADHN CN(C)CCN(C)C(=O)CC1(O)CCCC1 ZINC000085361117 387486039 /nfs/dbraw/zinc/48/60/39/387486039.db2.gz ILSLNUIUEGCANO-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN CN(CCCc1ccncc1)[C@@H]1COC[C@@H]1O ZINC000352795135 387486351 /nfs/dbraw/zinc/48/63/51/387486351.db2.gz CKTKQWFKKQDUHJ-OLZOCXBDSA-N 0 3 236.315 0.706 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000424082141 387486462 /nfs/dbraw/zinc/48/64/62/387486462.db2.gz VWSRBALJTXTKDC-KXUCPTDWSA-N 0 3 248.282 0.290 20 0 BCADHN CN(C[C@@H]1CCC(C)(C)O1)[C@H]1COC[C@@H]1O ZINC000352795019 387486482 /nfs/dbraw/zinc/48/64/82/387486482.db2.gz CFWOSKZAXBIKDJ-DCAQKATOSA-N 0 3 229.320 0.636 20 0 BCADHN CC(C)CCOCCN(C)[C@@H]1COC[C@@H]1O ZINC000352791344 387487673 /nfs/dbraw/zinc/48/76/73/387487673.db2.gz HWZHBUARTLRNOC-NEPJUHHUSA-N 0 3 231.336 0.741 20 0 BCADHN COC(C)(C)CCN(C)[C@H]1COC[C@@H]1O ZINC000352796821 387487786 /nfs/dbraw/zinc/48/77/86/387487786.db2.gz VTEYRXSAUQGCLG-UWVGGRQHSA-N 0 3 217.309 0.493 20 0 BCADHN CN(CC[C@@H]1CCCO1)[C@H]1COC[C@H]1O ZINC000352798980 387489633 /nfs/dbraw/zinc/48/96/33/387489633.db2.gz LKBITLQDTNMTCE-GARJFASQSA-N 0 3 215.293 0.247 20 0 BCADHN CCCCOCCN(C)[C@@H]1COC[C@H]1O ZINC000352803077 387492342 /nfs/dbraw/zinc/49/23/42/387492342.db2.gz NSQDEKKKHDEIDX-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN CN1CCC(C(=O)NC[C@H](O)C(F)F)CC1 ZINC000355175357 387492409 /nfs/dbraw/zinc/49/24/09/387492409.db2.gz MGTCIALEPZGVIF-QMMMGPOBSA-N 0 3 236.262 0.070 20 0 BCADHN CN(CCCCCF)[C@H]1COC[C@H]1O ZINC000352802669 387492830 /nfs/dbraw/zinc/49/28/30/387492830.db2.gz MTHBUVKVYCQGQW-VHSXEESVSA-N 0 3 205.273 0.818 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000374806298 387492947 /nfs/dbraw/zinc/49/29/47/387492947.db2.gz LNXAKZCTEWXHLM-TUAOUCFPSA-N 0 3 240.347 0.999 20 0 BCADHN CCN(CCN1CCCC1=O)C[C@@H](C)OC ZINC000361565266 387493210 /nfs/dbraw/zinc/49/32/10/387493210.db2.gz NMWXJCNCOLEHAP-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCN(C[C@@H](C)OC)[C@@H]1CCN(C)C1=O ZINC000361564472 387493475 /nfs/dbraw/zinc/49/34/75/387493475.db2.gz MITPOEZRNGERCK-NXEZZACHSA-N 0 3 214.309 0.574 20 0 BCADHN c1ncn(CCN2CC[C@H]3OCCC[C@H]3C2)n1 ZINC000362200588 387584007 /nfs/dbraw/zinc/58/40/07/387584007.db2.gz SOKXUSGIKNBRSR-NWDGAFQWSA-N 0 3 236.319 0.779 20 0 BCADHN CC[C@H](N)C(=O)NCCCOC[C@H]1CCCO1 ZINC000040826294 387584852 /nfs/dbraw/zinc/58/48/52/387584852.db2.gz ZNJXWSJKLRVXSO-MNOVXSKESA-N 0 3 244.335 0.426 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@@H]1CCCN1C1CC1 ZINC000426691601 387585901 /nfs/dbraw/zinc/58/59/01/387585901.db2.gz JJUIOGZZSCOXIT-JQWIXIFHSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)N1CCC1 ZINC000528758394 387586185 /nfs/dbraw/zinc/58/61/85/387586185.db2.gz ULZVFHSTNGPGHG-KLBPJQLPSA-N 0 3 226.320 0.620 20 0 BCADHN CCN(CC)CC(=O)N1CCOCC[C@@H]1C ZINC000362232782 387587219 /nfs/dbraw/zinc/58/72/19/387587219.db2.gz CWCQGYPCEDMSKT-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN Cc1nn(C)cc1CNCCCC(=O)N(C)C ZINC000123623650 387589285 /nfs/dbraw/zinc/58/92/85/387589285.db2.gz KGVOGJMWOPWXJO-UHFFFAOYSA-N 0 3 238.335 0.687 20 0 BCADHN COC(=O)C[C@@H]1CSCCN1CCCCO ZINC000123657442 387590258 /nfs/dbraw/zinc/59/02/58/387590258.db2.gz LGJNYTDJTOBWLU-SNVBAGLBSA-N 0 3 247.360 0.739 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)[C@H](C)OC ZINC000337566277 387592140 /nfs/dbraw/zinc/59/21/40/387592140.db2.gz QPLYBTAZNVXZMG-ZJUUUORDSA-N 0 3 216.325 0.868 20 0 BCADHN CO[C@H](C)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123781126 387593659 /nfs/dbraw/zinc/59/36/59/387593659.db2.gz XUAUGZWYKFHYJO-GMTAPVOTSA-N 0 3 228.336 0.962 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)C2CCC2)C[C@H](C)N1 ZINC000422545933 387596658 /nfs/dbraw/zinc/59/66/58/387596658.db2.gz YDHYEKYQPFFHJB-NGZCFLSTSA-N 0 3 225.336 0.323 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C)N(C)C ZINC000355956427 387599111 /nfs/dbraw/zinc/59/91/11/387599111.db2.gz KTTYTXGNKAZULM-KXUCPTDWSA-N 0 3 214.309 0.478 20 0 BCADHN CC(C)C(=O)NCCN(C)CCCO ZINC000305699668 387628875 /nfs/dbraw/zinc/62/88/75/387628875.db2.gz BGYZJINFWSHBPB-UHFFFAOYSA-N 0 3 202.298 0.073 20 0 BCADHN CC1(C)CC[C@@H](CN2C[C@H](O)C[C@H]2CO)O1 ZINC000376006585 387600052 /nfs/dbraw/zinc/60/00/52/387600052.db2.gz ZJKCGYVXCUMAHN-AXFHLTTASA-N 0 3 229.320 0.372 20 0 BCADHN CO[C@@H]1CC[C@@H]2OCCN(CCCO)[C@@H]2C1 ZINC000305374834 387600544 /nfs/dbraw/zinc/60/05/44/387600544.db2.gz YVQCIWDXDJSGBE-UTUOFQBUSA-N 0 3 229.320 0.637 20 0 BCADHN CN(C)CCNC(=O)[C@](C)(O)C1CCC1 ZINC000362365931 387602357 /nfs/dbraw/zinc/60/23/57/387602357.db2.gz QKAFNLOUHUNOFU-LLVKDONJSA-N 0 3 214.309 0.215 20 0 BCADHN COC(=O)C1(C)CN([C@@H](C)[C@@H](C)O)C1 ZINC000424127430 387603015 /nfs/dbraw/zinc/60/30/15/387603015.db2.gz DBTOUTPPSMYUAQ-JGVFFNPUSA-N 0 3 201.266 0.251 20 0 BCADHN O=C(CN1CC[C@H]2OCC[C@H]2C1)N1CCC1 ZINC000376040899 387602926 /nfs/dbraw/zinc/60/29/26/387602926.db2.gz CSIGHGBBXUXGLQ-WDEREUQCSA-N 0 3 224.304 0.330 20 0 BCADHN CC[C@H](C(=O)OC)N1CC[C@@](C)(C(=O)NC)C1 ZINC000430261995 387603317 /nfs/dbraw/zinc/60/33/17/387603317.db2.gz WTSJIHRGVVVKBE-BXKDBHETSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C(C)(C)O ZINC000376402403 387629095 /nfs/dbraw/zinc/62/90/95/387629095.db2.gz IGWKOJDELRJQDC-MNOVXSKESA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N1CCN(C)CC[C@H]1C ZINC000356002255 387604828 /nfs/dbraw/zinc/60/48/28/387604828.db2.gz COFITVDGFCFMNM-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@@H](C(=O)NCC1(C(=O)OC)CC1)N(C)C ZINC000188709183 387609688 /nfs/dbraw/zinc/60/96/88/387609688.db2.gz GTNHKPPAGFBMTQ-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@H]1CC[C@@H](C(=O)N(C)CCN(C)C)O1 ZINC000362415995 387610075 /nfs/dbraw/zinc/61/00/75/387610075.db2.gz OIZCDFINZKOSFG-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N1C[C@H](C)[C@@H](C)C1 ZINC000362434428 387611746 /nfs/dbraw/zinc/61/17/46/387611746.db2.gz MKPFTGCDIFNPCU-GUBZILKMSA-N 0 3 242.319 0.252 20 0 BCADHN CN1CCC(NC(=O)[C@@](C)(O)C2CCC2)CC1 ZINC000362440021 387612574 /nfs/dbraw/zinc/61/25/74/387612574.db2.gz LPXIKWVZBMMPCG-ZDUSSCGKSA-N 0 3 240.347 0.748 20 0 BCADHN CO[C@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000430388690 387614973 /nfs/dbraw/zinc/61/49/73/387614973.db2.gz UOHWSFONLPQMIY-MNOVXSKESA-N 0 3 242.319 0.002 20 0 BCADHN NC1(C(=O)Nc2cnn(CC(F)(F)F)c2)CC1 ZINC000430419665 387616540 /nfs/dbraw/zinc/61/65/40/387616540.db2.gz UBPBPJKNZCINCU-UHFFFAOYSA-N 0 3 248.208 0.875 20 0 BCADHN C[C@H](CCCO)NC(=O)CNC[C@@H]1CCCO1 ZINC000430429397 387616591 /nfs/dbraw/zinc/61/65/91/387616591.db2.gz XBNRQBYAEGOSHX-MNOVXSKESA-N 0 3 244.335 0.032 20 0 BCADHN CCN(C)C(=O)CCN1CCOCC[C@H]1C ZINC000362475752 387616599 /nfs/dbraw/zinc/61/65/99/387616599.db2.gz ZYNIXJHRYVMZBP-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC[C@@H](C(=O)N1CCOCC1)N(C)C ZINC000124431050 387618079 /nfs/dbraw/zinc/61/80/79/387618079.db2.gz UNTBUJVVYGCPKS-VIFPVBQESA-N 0 3 200.282 0.185 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)COC)N(C)C ZINC000124477217 387618148 /nfs/dbraw/zinc/61/81/48/387618148.db2.gz ZTLLMGBRSZIZAW-BDAKNGLRSA-N 0 3 202.298 0.478 20 0 BCADHN CC[C@@H](C(=O)NC1CCN(C)CC1)N(C)C ZINC000124575182 387623888 /nfs/dbraw/zinc/62/38/88/387623888.db2.gz MHBYOWOCIRMTPH-NSHDSACASA-N 0 3 227.352 0.537 20 0 BCADHN O=C1CC[C@H](NCc2c[nH]c3nccnc23)CN1 ZINC000356183357 387625457 /nfs/dbraw/zinc/62/54/57/387625457.db2.gz OQUWPWJKKGCDKT-VIFPVBQESA-N 0 3 245.286 0.278 20 0 BCADHN COC[C@H](C)NC(=O)C12CCCN1CCC2 ZINC000355505993 387545158 /nfs/dbraw/zinc/54/51/58/387545158.db2.gz HQMXVPJBHOBBKO-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](CO)N1CCCN(Cc2ccno2)CC1 ZINC000375497111 387547470 /nfs/dbraw/zinc/54/74/70/387547470.db2.gz PQYRINADJNNCSK-NSHDSACASA-N 0 3 239.319 0.563 20 0 BCADHN CN([C@@H]1CCCC[C@H]1O)[C@H]1CCCCNC1=O ZINC000426204190 387548385 /nfs/dbraw/zinc/54/83/85/387548385.db2.gz OIDCQLDXHPUVLF-GRYCIOLGSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@@H]1CCN(C[C@@H]2CCCOC2)[C@H](C(N)=O)C1 ZINC000426202825 387548909 /nfs/dbraw/zinc/54/89/09/387548909.db2.gz WUICLIUVKQKUAG-WOPDTQHZSA-N 0 3 240.347 0.999 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)CCCO ZINC000305081509 387549184 /nfs/dbraw/zinc/54/91/84/387549184.db2.gz QZQILXHVYVLAKQ-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN Cn1nccc1CN1CCC[C@@H]1CCO ZINC000426236499 387549835 /nfs/dbraw/zinc/54/98/35/387549835.db2.gz HTKNNPQWIVKIJX-SNVBAGLBSA-N 0 3 209.293 0.767 20 0 BCADHN O=C1NC[C@@]2(CCCN(CCCF)C2)O1 ZINC000375556845 387551975 /nfs/dbraw/zinc/55/19/75/387551975.db2.gz JLAUEUHMYJDJOA-SNVBAGLBSA-N 0 3 216.256 0.920 20 0 BCADHN CCOCCCN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000426259273 387553041 /nfs/dbraw/zinc/55/30/41/387553041.db2.gz YZPBWYFRFSGPLM-MNOVXSKESA-N 0 3 228.336 0.999 20 0 BCADHN C[C@H]1CCN(CC2(C)COC2)[C@@H](C(N)=O)C1 ZINC000426268750 387553230 /nfs/dbraw/zinc/55/32/30/387553230.db2.gz REZSVNQXZHVKEP-VHSXEESVSA-N 0 3 226.320 0.609 20 0 BCADHN Cn1nccc1CNCCCn1ccnc1 ZINC000036901324 387557409 /nfs/dbraw/zinc/55/74/09/387557409.db2.gz XSBJSKNQBUZIAV-UHFFFAOYSA-N 0 3 219.292 0.797 20 0 BCADHN C[C@@H](COCC(F)(F)F)NC(=O)[C@@H]1C[C@@H]1N ZINC000424114764 387557572 /nfs/dbraw/zinc/55/75/72/387557572.db2.gz SNHWILLYENNYGP-XVMARJQXSA-N 0 3 240.225 0.417 20 0 BCADHN C[C@H](C[C@H]1CCCO1)NC(=O)[C@@H]1C[C@@H]1N ZINC000424114530 387557607 /nfs/dbraw/zinc/55/76/07/387557607.db2.gz RIXOPBGWUQXFFN-KYXWUPHJSA-N 0 3 212.293 0.407 20 0 BCADHN Cn1nncc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000375606694 387558128 /nfs/dbraw/zinc/55/81/28/387558128.db2.gz JLTSFIHQXMQKJW-JTQLQIEISA-N 0 3 249.318 0.125 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCC1(CCO)CCCC1 ZINC000424116955 387559382 /nfs/dbraw/zinc/55/93/82/387559382.db2.gz AQYLIWUFVIDIMF-VHSXEESVSA-N 0 3 226.320 0.393 20 0 BCADHN C[C@@H](O)CN(C)C(=O)NC[C@H]1CCCN1C ZINC000361992772 387559784 /nfs/dbraw/zinc/55/97/84/387559784.db2.gz KMBJTUTVRFHMAD-NXEZZACHSA-N 0 3 229.324 0.103 20 0 BCADHN C[C@H](O)CN(C)C(=O)NC[C@@H]1CCCN1C ZINC000361992773 387559920 /nfs/dbraw/zinc/55/99/20/387559920.db2.gz KMBJTUTVRFHMAD-UWVGGRQHSA-N 0 3 229.324 0.103 20 0 BCADHN C[C@@H](N)C(=O)Nc1cccnc1-n1cccn1 ZINC000037047104 387560973 /nfs/dbraw/zinc/56/09/73/387560973.db2.gz NKNATTYRYKZYEW-MRVPVSSYSA-N 0 3 231.259 0.553 20 0 BCADHN C[C@@H]1C[C@H](C)N1C(=O)NCCOCCN(C)C ZINC000527455226 387564611 /nfs/dbraw/zinc/56/46/11/387564611.db2.gz UXMKGQHZVAQVSV-PHIMTYICSA-N 0 3 243.351 0.757 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@H](CC)N(C)C ZINC000305156327 387564874 /nfs/dbraw/zinc/56/48/74/387564874.db2.gz VVPMGLXPCKWLIQ-GARJFASQSA-N 0 3 230.352 0.850 20 0 BCADHN CCCSCC(=O)NCCN(C)C ZINC000054855404 387566138 /nfs/dbraw/zinc/56/61/38/387566138.db2.gz JIRHABSODWFTTD-UHFFFAOYSA-N 0 3 204.339 0.807 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2cncnc2)C1 ZINC000355680368 387566402 /nfs/dbraw/zinc/56/64/02/387566402.db2.gz LGAYTKQJAAQGAR-NSHDSACASA-N 0 3 220.276 0.174 20 0 BCADHN COCC(C)(C)CN(C)[C@H]1CCNC1=O ZINC000426416194 387566655 /nfs/dbraw/zinc/56/66/55/387566655.db2.gz HJZAYZOBBZKILL-VIFPVBQESA-N 0 3 214.309 0.479 20 0 BCADHN CNS(=O)(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000375680531 387566798 /nfs/dbraw/zinc/56/67/98/387566798.db2.gz QXQNRMWFSHGCEC-ZJUUUORDSA-N 0 3 247.364 0.009 20 0 BCADHN C[C@H](NC[C@@H](O)CN(C)C)c1ccccn1 ZINC000037889240 387567979 /nfs/dbraw/zinc/56/79/79/387567979.db2.gz ISDMZJWHMJCZGF-WDEREUQCSA-N 0 3 223.320 0.655 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000037820133 387568198 /nfs/dbraw/zinc/56/81/98/387568198.db2.gz 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ZINC000124725040 387632214 /nfs/dbraw/zinc/63/22/14/387632214.db2.gz RXKJQHCUKLFFGD-NSHDSACASA-N 0 3 228.336 0.559 20 0 BCADHN Cn1ccc(CNC[C@@H](O)COCC2CC2)c1 ZINC000305715162 387632535 /nfs/dbraw/zinc/63/25/35/387632535.db2.gz GUAHOMBCRPLEKG-CYBMUJFWSA-N 0 3 238.331 0.902 20 0 BCADHN O=C(NCC1CC=CC1)N1CCCNCC1 ZINC000527536558 387633015 /nfs/dbraw/zinc/63/30/15/387633015.db2.gz TXMGEUYBTLRVEQ-UHFFFAOYSA-N 0 3 223.320 0.958 20 0 BCADHN CC[C@@H](C(=O)NCCN1CCCCC1)N(C)C ZINC000124809215 387633504 /nfs/dbraw/zinc/63/35/04/387633504.db2.gz BCNCHLANGPZLRT-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CCN(CC)CC(=O)N(CCN(C)C)C1CC1 ZINC000356273131 387636147 /nfs/dbraw/zinc/63/61/47/387636147.db2.gz DVFRVHJXKQYXIB-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CNCC(=O)N(C)Cc1nccn1C(F)F ZINC000430680282 387638004 /nfs/dbraw/zinc/63/80/04/387638004.db2.gz OHYSMKPBJFNIOW-UHFFFAOYSA-N 0 3 232.234 0.456 20 0 BCADHN CCC[C@H](C(=O)NC[C@@H](C)CO)N(C)C ZINC000305737700 387639374 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CC[C@H](N)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000430813382 387654441 /nfs/dbraw/zinc/65/44/41/387654441.db2.gz HPDSMOBKFYRDNQ-ONGXEEELSA-N 0 3 236.319 0.473 20 0 BCADHN C[C@@H](O)[C@H]1CCN(CCN2CCCC2=O)C1 ZINC000305793480 387655291 /nfs/dbraw/zinc/65/52/91/387655291.db2.gz DPPCJVSNESZDDX-MNOVXSKESA-N 0 3 226.320 0.312 20 0 BCADHN Cc1cn[nH]c1CN1CCN(CCO)[C@H](C)C1 ZINC000356409220 387655525 /nfs/dbraw/zinc/65/55/25/387655525.db2.gz KEEATCCUOFUTEI-LLVKDONJSA-N 0 3 238.335 0.217 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000430890635 387657952 /nfs/dbraw/zinc/65/79/52/387657952.db2.gz RHEYCIBDLHKVTP-NWDGAFQWSA-N 0 3 239.363 0.665 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCCSC ZINC000422754631 387658362 /nfs/dbraw/zinc/65/83/62/387658362.db2.gz JQAMJSGKIRCEJM-VHSXEESVSA-N 0 3 246.376 0.623 20 0 BCADHN O=C1CCCN1C[C@@H]1CCCCN1CCCO ZINC000362775806 387658743 /nfs/dbraw/zinc/65/87/43/387658743.db2.gz RDEXNRJICQYKCL-LBPRGKRZSA-N 0 3 240.347 0.846 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1cccnc1-n1cccn1 ZINC000424136058 387660718 /nfs/dbraw/zinc/66/07/18/387660718.db2.gz QDYABVFWDASDBS-DTWKUNHWSA-N 0 3 243.270 0.553 20 0 BCADHN CCc1cc(=O)[n-]c(CN2CC[C@@H](C[NH3+])C2)n1 ZINC000430918094 387661002 /nfs/dbraw/zinc/66/10/02/387661002.db2.gz LUUWHKODCUIZOT-VIFPVBQESA-N 0 3 236.319 0.525 20 0 BCADHN CC[C@@H](C)CNC(=O)C1(N)CCOCC1 ZINC000149718692 387665566 /nfs/dbraw/zinc/66/55/66/387665566.db2.gz GWKTVYWBWPKBJW-SECBINFHSA-N 0 3 214.309 0.657 20 0 BCADHN CC[C@H](CCO)CNCc1ccn(C)n1 ZINC000149717430 387666039 /nfs/dbraw/zinc/66/60/39/387666039.db2.gz JWTJHEDNEPNLCJ-SNVBAGLBSA-N 0 3 211.309 0.918 20 0 BCADHN COC[C@H](CO)NCc1ccnc(C)c1 ZINC000527708471 387668657 /nfs/dbraw/zinc/66/86/57/387668657.db2.gz ABUMEDAWVIYNAK-NSHDSACASA-N 0 3 210.277 0.487 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)COCC2CC2)C1 ZINC000356527145 387669462 /nfs/dbraw/zinc/66/94/62/387669462.db2.gz PAEDWSSMEMTCRK-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](NC(=O)[C@]1(F)CCNC1)c1cnn(C)c1 ZINC000376791237 387670439 /nfs/dbraw/zinc/67/04/39/387670439.db2.gz MRAZCTXOSJXWDT-KCJUWKMLSA-N 0 3 240.282 0.299 20 0 BCADHN CC(C)(N)C(=O)N1CCC(n2ccnc2)CC1 ZINC000431057131 387672349 /nfs/dbraw/zinc/67/23/49/387672349.db2.gz HCCVJQHRZUTLNM-UHFFFAOYSA-N 0 3 236.319 0.784 20 0 BCADHN CC(C)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126094150 387673686 /nfs/dbraw/zinc/67/36/86/387673686.db2.gz USBKGOYUXKGNDG-KOLCDFICSA-N 0 3 243.351 0.247 20 0 BCADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CN)C1 ZINC000431062284 387674578 /nfs/dbraw/zinc/67/45/78/387674578.db2.gz OWVPERCRURIVJY-DGCLKSJQSA-N 0 3 247.342 0.897 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCN(CC(F)F)CC1 ZINC000431063585 387675558 /nfs/dbraw/zinc/67/55/58/387675558.db2.gz FSODQLSPBOXEBF-SNVBAGLBSA-N 0 3 249.305 0.379 20 0 BCADHN COCCN1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451903629 387676123 /nfs/dbraw/zinc/67/61/23/387676123.db2.gz JKESBZOLZNCMBX-HTQZYQBOSA-N 0 3 227.226 0.878 20 0 BCADHN CCn1nncc1CN[C@@H]1CCO[C@H](C)C1 ZINC000527728731 387680536 /nfs/dbraw/zinc/68/05/36/387680536.db2.gz SFBLIUNTLBNXPS-NXEZZACHSA-N 0 3 224.308 0.955 20 0 BCADHN C[C@@H](NCCCS(C)(=O)=O)c1cnn(C)c1 ZINC000044499908 387682478 /nfs/dbraw/zinc/68/24/78/387682478.db2.gz VHMVKPDAAUUTCR-SECBINFHSA-N 0 3 245.348 0.505 20 0 BCADHN C[C@H](NC[C@@H]1COCCO1)c1cnn(C)c1 ZINC000044499914 387683974 /nfs/dbraw/zinc/68/39/74/387683974.db2.gz JZHLHZZBSPQJKF-GXSJLCMTSA-N 0 3 225.292 0.486 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCCOC(C)C ZINC000451944781 387684426 /nfs/dbraw/zinc/68/44/26/387684426.db2.gz QBWVUBKQZAOJQT-GHMZBOCLSA-N 0 3 217.309 0.805 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@H](C)OC ZINC000451943051 387684521 /nfs/dbraw/zinc/68/45/21/387684521.db2.gz CXEYCNKTQVUYDX-IVZWLZJFSA-N 0 3 203.282 0.415 20 0 BCADHN COC[C@@H](N[C@H]1CCC(=O)N(C)C1=O)C1CC1 ZINC000126538440 387686122 /nfs/dbraw/zinc/68/61/22/387686122.db2.gz HUHFIRWSXDNTLT-VHSXEESVSA-N 0 3 240.303 0.148 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000431186922 387686692 /nfs/dbraw/zinc/68/66/92/387686692.db2.gz LCQLVBWEPSWDGF-VHSXEESVSA-N 0 3 211.309 0.646 20 0 BCADHN C[C@H](NCCCn1ccnn1)c1cnn(C)c1 ZINC000126545975 387690095 /nfs/dbraw/zinc/69/00/95/387690095.db2.gz IKBYTIWELDUYQO-JTQLQIEISA-N 0 3 234.307 0.753 20 0 BCADHN Cc1cc(CNC[C@H](O)[C@@H]2CCCO2)n(C)n1 ZINC000527753400 387692171 /nfs/dbraw/zinc/69/21/71/387692171.db2.gz AOGBGMKYFQVTKF-RYUDHWBXSA-N 0 3 239.319 0.358 20 0 BCADHN CC[C@H](O)CN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451980851 387692297 /nfs/dbraw/zinc/69/22/97/387692297.db2.gz AJPZXGOFLWAKFH-QWRGUYRKSA-N 0 3 243.351 0.493 20 0 BCADHN CC[C@@H](O)CN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451980853 387692398 /nfs/dbraw/zinc/69/23/98/387692398.db2.gz AJPZXGOFLWAKFH-WDEREUQCSA-N 0 3 243.351 0.493 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441295404 387744247 /nfs/dbraw/zinc/74/42/47/387744247.db2.gz RELRQLLSXQYLFH-SDDRHHMPSA-N 0 3 240.347 0.999 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@@H](C)CCOC ZINC000422859196 387744775 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/nfs/dbraw/zinc/74/87/89/387748789.db2.gz LKAXKFDJUYALAK-LLVKDONJSA-N 0 3 228.336 0.607 20 0 BCADHN CC(C)OC(=O)CCN(CCO)CCCO ZINC000441385375 387753479 /nfs/dbraw/zinc/75/34/79/387753479.db2.gz OCERFEKITFOZND-UHFFFAOYSA-N 0 3 233.308 0.005 20 0 BCADHN CO[C@H](C)CN1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452007652 387698331 /nfs/dbraw/zinc/69/83/31/387698331.db2.gz HLPFJLPCMHPENX-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN O[C@@H](CNCc1ccco1)[C@H]1CCCO1 ZINC000527759097 387698768 /nfs/dbraw/zinc/69/87/68/387698768.db2.gz MWRXXKNULCBYPD-WDEREUQCSA-N 0 3 211.261 0.909 20 0 BCADHN CN(C)C1(CNC(=O)C2=CCOCC2)CCC1 ZINC000356956587 387754875 /nfs/dbraw/zinc/75/48/75/387754875.db2.gz VZMBHMHMVYBORM-UHFFFAOYSA-N 0 3 238.331 0.934 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC000123494399 387702247 /nfs/dbraw/zinc/70/22/47/387702247.db2.gz GZCFCYSPKDTFAS-GHMZBOCLSA-N 0 3 230.352 0.850 20 0 BCADHN CN(C)CCN(C(=O)c1cncnc1)C1CC1 ZINC000431395718 387705235 /nfs/dbraw/zinc/70/52/35/387705235.db2.gz GLEZFIZYLYCUEH-UHFFFAOYSA-N 0 3 234.303 0.643 20 0 BCADHN CCC[NH2+]CC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000440846436 387707418 /nfs/dbraw/zinc/70/74/18/387707418.db2.gz QTOKHAVJYWEFEJ-UHFFFAOYSA-N 0 3 246.332 0.866 20 0 BCADHN CN(CCN1CCCC1)c1nccn2cnnc12 ZINC000356735407 387710651 /nfs/dbraw/zinc/71/06/51/387710651.db2.gz NFYBILFLYDZCEW-UHFFFAOYSA-N 0 3 246.318 0.656 20 0 BCADHN CN(C)c1ncccc1CNC(=O)[C@@H]1C[C@@H]1N ZINC000424143569 387755290 /nfs/dbraw/zinc/75/52/90/387755290.db2.gz ZTEJEBRHXUFOBQ-ZJUUUORDSA-N 0 3 234.303 0.111 20 0 BCADHN COC[C@H](O)CN1CC[C@H](OCC(C)C)C1 ZINC000127502101 387715004 /nfs/dbraw/zinc/71/50/04/387715004.db2.gz AGXHXTUAPAVHIG-NEPJUHHUSA-N 0 3 231.336 0.741 20 0 BCADHN Cc1c(CNCC23CC(C2)CO3)cnn1C ZINC000527787483 387715831 /nfs/dbraw/zinc/71/58/31/387715831.db2.gz DLSWEJYUMQKWDH-UHFFFAOYSA-N 0 3 221.304 0.997 20 0 BCADHN CCOCC[C@@H](O)CN1CC2(C1)CCCOC2 ZINC000367481974 387715969 /nfs/dbraw/zinc/71/59/69/387715969.db2.gz YYHZUVCTHKYDMN-GFCCVEGCSA-N 0 3 243.347 0.886 20 0 BCADHN CCN(C[C@H]1CCCOC1)[C@H]1CCNC1=O ZINC000440954417 387716857 /nfs/dbraw/zinc/71/68/57/387716857.db2.gz LUKBQEXXWQUADB-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN COC[C@@H](O)CN1CC2(C1)CCCOC2 ZINC000367489750 387717046 /nfs/dbraw/zinc/71/70/46/387717046.db2.gz LBIQHYZHHRYYRL-JTQLQIEISA-N 0 3 215.293 0.106 20 0 BCADHN CCN(CCC[C@@H](C)O)[C@@H]1CCNC1=O ZINC000440953617 387717239 /nfs/dbraw/zinc/71/72/39/387717239.db2.gz HJTZPNJVAMZZKD-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CCN(C[C@@H]1CCCOC1)[C@H]1CCNC1=O ZINC000440954420 387717446 /nfs/dbraw/zinc/71/74/46/387717446.db2.gz LUKBQEXXWQUADB-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H]1C[C@@H](O)CN(CCN2CCOC[C@H]2C)C1 ZINC000452064924 387718700 /nfs/dbraw/zinc/71/87/00/387718700.db2.gz AYCVXGLFGRIUMZ-JHJVBQTASA-N 0 3 242.363 0.410 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1C[C@@H](C)C[C@H](O)C1 ZINC000452067029 387721372 /nfs/dbraw/zinc/72/13/72/387721372.db2.gz HBWHCDPCZVDDCP-JBLDHEPKSA-N 0 3 245.319 0.003 20 0 BCADHN O=C(CN1CCC[C@H]1C1CC1)N1CCOCC1 ZINC000377544136 387725128 /nfs/dbraw/zinc/72/51/28/387725128.db2.gz MYGNEBDJHROGMF-LBPRGKRZSA-N 0 3 238.331 0.720 20 0 BCADHN CC[C@@H](C)N(C)CCNC(=O)C[S@@](=O)CC ZINC000431790834 387730035 /nfs/dbraw/zinc/73/00/35/387730035.db2.gz ZPYCFXMJPLADJM-HWPZZCPQSA-N 0 3 248.392 0.602 20 0 BCADHN CCCCN1CCOC[C@@H]1CC(N)=O ZINC000452083440 387732511 /nfs/dbraw/zinc/73/25/11/387732511.db2.gz LOIKHJIOEGELBX-VIFPVBQESA-N 0 3 200.282 0.363 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCC2(CCC2)CC1 ZINC000367602084 387733554 /nfs/dbraw/zinc/73/35/54/387733554.db2.gz IELQZOMQAONGLX-VIFPVBQESA-N 0 3 239.319 0.836 20 0 BCADHN CC(C)(CN1CCCC1)NS(=O)(=O)C1CC1 ZINC000452094659 387734956 /nfs/dbraw/zinc/73/49/56/387734956.db2.gz ZIRKTUVDSQEORM-UHFFFAOYSA-N 0 3 246.376 0.943 20 0 BCADHN CC(C)[C@]1(CO)CCN(CC(=O)N2CCC2)C1 ZINC000377660207 387736579 /nfs/dbraw/zinc/73/65/79/387736579.db2.gz UQLYKRBGTUAXPT-CYBMUJFWSA-N 0 3 240.347 0.559 20 0 BCADHN CCCN(CC(=O)NC)CC1(C)COC1 ZINC000441220177 387737300 /nfs/dbraw/zinc/73/73/00/387737300.db2.gz SQWRDUYTPCFWFM-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN CC(C)N1CC[C@@H](N(C)CC(=O)N2CCC2)C1 ZINC000452111139 387742350 /nfs/dbraw/zinc/74/23/50/387742350.db2.gz BLBHZOIVTMFBPN-GFCCVEGCSA-N 0 3 239.363 0.633 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCC[C@@H](O)CC ZINC000422896326 387765778 /nfs/dbraw/zinc/76/57/78/387765778.db2.gz XSSICNYVNDTSFC-GARJFASQSA-N 0 3 244.335 0.031 20 0 BCADHN C[C@H](N)C(=O)NC[C@H]1OCCc2ccccc21 ZINC000378175381 387769344 /nfs/dbraw/zinc/76/93/44/387769344.db2.gz MNOLNALIEYJKKL-JOYOIKCWSA-N 0 3 234.299 0.764 20 0 BCADHN CC[C@H](N)C(=O)N(C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000378175399 387769843 /nfs/dbraw/zinc/76/98/43/387769843.db2.gz MRHSNFVDZZYTIQ-UKKRHICBSA-N 0 3 240.347 0.996 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1nc2ccccc2[nH]1 ZINC000424145792 387769899 /nfs/dbraw/zinc/76/98/99/387769899.db2.gz ZLJBSMYQKIYPKZ-DTWKUNHWSA-N 0 3 244.298 0.569 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1ccc2c(c1)CCO2 ZINC000424145900 387769989 /nfs/dbraw/zinc/76/99/89/387769989.db2.gz VSMBZHJEDAQONY-NWDGAFQWSA-N 0 3 246.310 0.627 20 0 BCADHN CCN(CC)CC(=O)N1CCCC[C@H](CO)C1 ZINC000378210211 387771766 /nfs/dbraw/zinc/77/17/66/387771766.db2.gz XTOSYMIPJOEVJM-LBPRGKRZSA-N 0 3 242.363 0.949 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@H]1NC1CC(C)C1 ZINC000422918179 387773420 /nfs/dbraw/zinc/77/34/20/387773420.db2.gz GUMLDTBFWIVKEQ-LXKPXOPUSA-N 0 3 226.320 0.668 20 0 BCADHN Cc1c(N[C@@H](C)C[C@@H]2COCCN2)cnn1C ZINC000422925806 387780167 /nfs/dbraw/zinc/78/01/67/387780167.db2.gz VNURISQMSRGTIY-GXSJLCMTSA-N 0 3 238.335 0.907 20 0 BCADHN CC[C@@H](N)C(=O)NCCC(=O)OC(C)C ZINC000309449513 387780339 /nfs/dbraw/zinc/78/03/39/387780339.db2.gz MFLMGQRPAXJULU-MRVPVSSYSA-N 0 3 216.281 0.182 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@@H](C)SC ZINC000422932759 387781062 /nfs/dbraw/zinc/78/10/62/387781062.db2.gz GQFGZDLDJZRDOV-KXUCPTDWSA-N 0 3 246.376 0.621 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NC[C@H](C)SC ZINC000422932758 387781308 /nfs/dbraw/zinc/78/13/08/387781308.db2.gz GQFGZDLDJZRDOV-IVZWLZJFSA-N 0 3 246.376 0.621 20 0 BCADHN CC(C)c1nnc2n1CCN(C(=O)[C@@H]1C[C@@H]1N)C2 ZINC000424147204 387782278 /nfs/dbraw/zinc/78/22/78/387782278.db2.gz QSZXYQAXHWTOQB-BDAKNGLRSA-N 0 3 249.318 0.091 20 0 BCADHN CCn1nncc1CN[C@@H]1CCOC[C@@H]1C ZINC000527914132 387786668 /nfs/dbraw/zinc/78/66/68/387786668.db2.gz JCTLPPTUGJKZLU-GXSJLCMTSA-N 0 3 224.308 0.813 20 0 BCADHN C[C@@H]1CCCN1C(=O)CNC[C@H]1CCCO1 ZINC000157336040 387786715 /nfs/dbraw/zinc/78/67/15/387786715.db2.gz FTASBUGWLMVAAA-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CCCN1C(=O)CNC[C@@H]1CCCO1 ZINC000157335753 387786789 /nfs/dbraw/zinc/78/67/89/387786789.db2.gz FTASBUGWLMVAAA-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CCn1nncc1CN[C@@H](C)[C@@H](C)OC ZINC000527918849 387788066 /nfs/dbraw/zinc/78/80/66/387788066.db2.gz FBJNYPAZLVBUTJ-DTWKUNHWSA-N 0 3 212.297 0.811 20 0 BCADHN O=C(CNC(=O)[C@H]1CN2CCC1CC2)C1CC1 ZINC000378627538 387790936 /nfs/dbraw/zinc/79/09/36/387790936.db2.gz BRGBSQBAEDFEBP-NSHDSACASA-N 0 3 236.315 0.424 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NC[C@](C)(O)CC ZINC000422980471 387791160 /nfs/dbraw/zinc/79/11/60/387791160.db2.gz PSWLPWSDXAYBMF-CKYFFXLPSA-N 0 3 244.335 0.031 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCOC[C@H]1C)N(C)C ZINC000432459948 387794319 /nfs/dbraw/zinc/79/43/19/387794319.db2.gz BISWMRBFUBCLRY-GMTAPVOTSA-N 0 3 228.336 0.868 20 0 BCADHN Cc1cc(CN(C)C(=O)[C@@H]2C[C@@H]2N)no1 ZINC000050459180 387795721 /nfs/dbraw/zinc/79/57/21/387795721.db2.gz BQCOTXMBNMYCQF-BDAKNGLRSA-N 0 3 209.249 0.289 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1nccn1C(F)F ZINC000424152088 387800509 /nfs/dbraw/zinc/80/05/09/387800509.db2.gz IEHTWFVCLBLGKP-NTSWFWBYSA-N 0 3 230.218 0.242 20 0 BCADHN CC(C)CN1CCCC[C@@H]1CNS(N)(=O)=O ZINC000163614104 387804605 /nfs/dbraw/zinc/80/46/05/387804605.db2.gz KODHTLSNDYDBSL-SNVBAGLBSA-N 0 3 249.380 0.290 20 0 BCADHN CCCC(=O)NC[C@H]1CCCN1CCCO ZINC000452355438 387808495 /nfs/dbraw/zinc/80/84/95/387808495.db2.gz XQWAAOFXLNSYTA-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN COC[C@@H](NC[C@H](O)C(F)(F)F)C1CC1 ZINC000151237295 387810769 /nfs/dbraw/zinc/81/07/69/387810769.db2.gz HMNWWSYBZNLFIG-SFYZADRCSA-N 0 3 227.226 0.924 20 0 BCADHN COC(=O)[C@H]1CN(CCO)CC1(C)C ZINC000377992140 387759610 /nfs/dbraw/zinc/75/96/10/387759610.db2.gz JALQHXIEOFYOPZ-MRVPVSSYSA-N 0 3 201.266 0.110 20 0 BCADHN CC(C)([NH3+])CNC(=O)c1ccc2n[n-]nc2c1 ZINC000422885403 387760733 /nfs/dbraw/zinc/76/07/33/387760733.db2.gz USKYBOGQKAJOGE-UHFFFAOYSA-N 0 3 233.275 0.425 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](C)OC ZINC000442693689 387822895 /nfs/dbraw/zinc/82/28/95/387822895.db2.gz KNKQZCCHDSBIHH-VIFPVBQESA-N 0 3 202.298 0.479 20 0 BCADHN CC(C)[C@H](O)CN1CCN(C[C@H](C)O)C[C@H]1C ZINC000432797003 387823244 /nfs/dbraw/zinc/82/32/44/387823244.db2.gz JOCXZCUFBDXRDM-FRRDWIJNSA-N 0 3 244.379 0.390 20 0 BCADHN COC(=O)C[C@@]1(NC[C@H](O)C(C)C)CCOC1 ZINC000432798242 387823514 /nfs/dbraw/zinc/82/35/14/387823514.db2.gz HYEFMGNPSWNRQM-JQWIXIFHSA-N 0 3 245.319 0.315 20 0 BCADHN COC(=O)CN1CCN(CC2(C)CCC2)CC1 ZINC000432793257 387823656 /nfs/dbraw/zinc/82/36/56/387823656.db2.gz OFCZBJFQYXSMIQ-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CCC[C@@](C)(O)C(=O)NC[C@H](C)N(C)C ZINC000432808503 387824622 /nfs/dbraw/zinc/82/46/22/387824622.db2.gz SLAMLCAKUUPJJO-GXSJLCMTSA-N 0 3 216.325 0.604 20 0 BCADHN CNC(=O)N[C@@H]1CCN(C[C@@H](O)C(C)C)C1 ZINC000432805141 387825050 /nfs/dbraw/zinc/82/50/50/387825050.db2.gz LDHRPRGFVKMRKL-NXEZZACHSA-N 0 3 229.324 0.007 20 0 BCADHN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1C[C@@H]1N ZINC000424157102 387826574 /nfs/dbraw/zinc/82/65/74/387826574.db2.gz QPNQHWIQAUZMHH-HRDYMLBCSA-N 0 3 249.318 0.139 20 0 BCADHN CCN(CCO)C[C@@H](O)COCC(F)(F)F ZINC000432815746 387827586 /nfs/dbraw/zinc/82/75/86/387827586.db2.gz JUSWRNXRRVYWKS-MRVPVSSYSA-N 0 3 245.241 0.240 20 0 BCADHN CCOCC1(C(=O)NCCN(C)CC)CC1 ZINC000442725404 387830744 /nfs/dbraw/zinc/83/07/44/387830744.db2.gz UNWYLMWZLZIVPG-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN c1cc(-c2noc(COC3CNC3)n2)ccn1 ZINC000442753448 387836004 /nfs/dbraw/zinc/83/60/04/387836004.db2.gz VRKNCAROSMZIME-UHFFFAOYSA-N 0 3 232.243 0.620 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H]1CCNCC1(F)F ZINC000424159481 387839044 /nfs/dbraw/zinc/83/90/44/387839044.db2.gz AAFKWZACUICFBE-SFYZADRCSA-N 0 3 235.278 0.085 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1CC[C@@H](CO)C1)N(C)C ZINC000452487316 387839119 /nfs/dbraw/zinc/83/91/19/387839119.db2.gz BOQIBBQLBDPSBJ-GRYCIOLGSA-N 0 3 242.363 0.850 20 0 BCADHN O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H]1C1CC1 ZINC000452498031 387841040 /nfs/dbraw/zinc/84/10/40/387841040.db2.gz KRFWLEGTDRFADZ-OLZOCXBDSA-N 0 3 249.358 0.387 20 0 BCADHN CN1CCN(Cc2n[nH]c(C(C)(C)C)n2)CC1 ZINC000432928704 387844095 /nfs/dbraw/zinc/84/40/95/387844095.db2.gz UFCRXECSMLAOOE-UHFFFAOYSA-N 0 3 237.351 0.850 20 0 BCADHN CN1CCC(Nc2nccn(C)c2=O)CC1 ZINC000061749639 387844019 /nfs/dbraw/zinc/84/40/19/387844019.db2.gz HZFSRZKAYMPJIL-UHFFFAOYSA-N 0 3 222.292 0.286 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)CCCCO)N(C)C ZINC000452518508 387846170 /nfs/dbraw/zinc/84/61/70/387846170.db2.gz YCOWPZMQOXSGOX-QWRGUYRKSA-N 0 3 230.352 0.994 20 0 BCADHN C[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1O)N(C)C ZINC000448676642 387848643 /nfs/dbraw/zinc/84/86/43/387848643.db2.gz ISVDZJLBFLQTOB-UTUOFQBUSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](CNC(=O)C1CN(CC(F)F)C1)N(C)C ZINC000448678048 387853816 /nfs/dbraw/zinc/85/38/16/387853816.db2.gz RFSUQZCGFXDPLW-MRVPVSSYSA-N 0 3 249.305 0.250 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@H](N)C(C)C ZINC000157624940 387858919 /nfs/dbraw/zinc/85/89/19/387858919.db2.gz ZWIXNWIRAPJYFV-RKDXNWHRSA-N 0 3 202.298 0.247 20 0 BCADHN Cc1[nH]nc(C(F)F)c1NC(=O)[C@@H]1C[C@@H]1N ZINC000424169181 387860064 /nfs/dbraw/zinc/86/00/64/387860064.db2.gz HMGSJGQUSYQOPD-UHNVWZDZSA-N 0 3 230.218 0.941 20 0 BCADHN CC(C)[C@H](CO)C(=O)NC[C@@H](C)N(C)C ZINC000448683538 387862115 /nfs/dbraw/zinc/86/21/15/387862115.db2.gz ZJBZZXJPUKWPSK-ZJUUUORDSA-N 0 3 216.325 0.317 20 0 BCADHN CN(CCc1nccs1)C(=O)[C@@H]1C[C@@H]1N ZINC000424169798 387864496 /nfs/dbraw/zinc/86/44/96/387864496.db2.gz KFPIRNBQYVTUJO-SFYZADRCSA-N 0 3 225.317 0.491 20 0 BCADHN CCOC[C@H](C)N[C@@H]1CCN[C@H]1C(=O)OCC ZINC000423061151 387865786 /nfs/dbraw/zinc/86/57/86/387865786.db2.gz JYAORQLIXDYXHP-HBNTYKKESA-N 0 3 244.335 0.295 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000157700488 387866063 /nfs/dbraw/zinc/86/60/63/387866063.db2.gz UEJYPJWLJVCNML-IVZWLZJFSA-N 0 3 212.293 0.361 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000157700916 387866647 /nfs/dbraw/zinc/86/66/47/387866647.db2.gz UEJYPJWLJVCNML-BBBLOLIVSA-N 0 3 212.293 0.361 20 0 BCADHN Cc1cncn1CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000528191553 387867247 /nfs/dbraw/zinc/86/72/47/387867247.db2.gz AQFKMGXUQRNDGX-LLVKDONJSA-N 0 3 248.330 0.544 20 0 BCADHN CCC[C@@](C)(O)C(=O)NC[C@@H]1CCCN1C ZINC000433129473 387867784 /nfs/dbraw/zinc/86/77/84/387867784.db2.gz DGHLDBNGYORMNJ-CMPLNLGQSA-N 0 3 228.336 0.748 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@@H](N)C(C)(C)C ZINC000157743012 387869359 /nfs/dbraw/zinc/86/93/59/387869359.db2.gz QPLMPHPNPQGYIS-RKDXNWHRSA-N 0 3 216.325 0.637 20 0 BCADHN CC(C)OC[C@H](CO)N(C)C[C@@H]1CCCO1 ZINC000433162459 387872764 /nfs/dbraw/zinc/87/27/64/387872764.db2.gz ZTEQWBUYXBQTLZ-RYUDHWBXSA-N 0 3 231.336 0.883 20 0 BCADHN CC(C)[C@H](O)CN1CCc2n[nH]c(=O)cc2C1 ZINC000432783821 387816366 /nfs/dbraw/zinc/81/63/66/387816366.db2.gz CWFKBVLPKOVMQP-LLVKDONJSA-N 0 3 237.303 0.557 20 0 BCADHN CC[C@H](C)CNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000422966868 387816632 /nfs/dbraw/zinc/81/66/32/387816632.db2.gz ATYRGYLNEBOGGN-WPRPVWTQSA-N 0 3 241.335 0.002 20 0 BCADHN CC(C)[C@H](O)CN(C)CCNC(=O)N(C)C ZINC000432781314 387816911 /nfs/dbraw/zinc/81/69/11/387816911.db2.gz QTHHXXPVCRYRBY-SNVBAGLBSA-N 0 3 231.340 0.206 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)C[C@H](O)C(C)C ZINC000432788014 387819527 /nfs/dbraw/zinc/81/95/27/387819527.db2.gz VRYNXGOZGYPNHQ-NEPJUHHUSA-N 0 3 233.352 0.721 20 0 BCADHN Cc1nccn1CCNC[C@H](C)S(C)(=O)=O ZINC000564076425 387819761 /nfs/dbraw/zinc/81/97/61/387819761.db2.gz ATSMQMZQIFJRLK-VIFPVBQESA-N 0 3 245.348 0.214 20 0 BCADHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)NCC1CC1 ZINC000236390193 387891028 /nfs/dbraw/zinc/89/10/28/387891028.db2.gz JHOMFSIHUUGCOQ-YPMHNXCESA-N 0 3 238.331 0.670 20 0 BCADHN CCOC(=O)CC[C@@H](C)NC(=O)[C@@H]1C[C@@H]1N ZINC000424179845 387891739 /nfs/dbraw/zinc/89/17/39/387891739.db2.gz ZTOKIMRRJNDMQJ-HLTSFMKQSA-N 0 3 228.292 0.182 20 0 BCADHN CCOCC[C@@H](O)CN(C)[C@H]1CCOC1 ZINC000444624826 387893443 /nfs/dbraw/zinc/89/34/43/387893443.db2.gz GDQZYJWCSFPZQN-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN CN1C(=O)NC2(CCN(C3CCC3)CC2)C1=O ZINC000194744904 387893819 /nfs/dbraw/zinc/89/38/19/387893819.db2.gz OCLCSGVYBAJEFF-UHFFFAOYSA-N 0 3 237.303 0.555 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@H](O)[C@@H]1C ZINC000452714307 387893920 /nfs/dbraw/zinc/89/39/20/387893920.db2.gz NJMQVKSWVNQXPI-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN CCOCC[C@@H](O)CN1CC[C@H](OC)C1 ZINC000444641199 387897573 /nfs/dbraw/zinc/89/75/73/387897573.db2.gz PBJKCPGNDDTPBM-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCNCC1(F)F ZINC000424182158 387897643 /nfs/dbraw/zinc/89/76/43/387897643.db2.gz YSAUEMBGRDBEMF-IUCAKERBSA-N 0 3 249.305 0.331 20 0 BCADHN C=Cn1cc(CNCCc2ncn(C)n2)cn1 ZINC000236113978 387874979 /nfs/dbraw/zinc/87/49/79/387874979.db2.gz SJYUSTDIXYHORU-UHFFFAOYSA-N 0 3 232.291 0.444 20 0 BCADHN COC(=O)CCN(C(=O)[C@@H]1C[C@@H]1N)C(C)C ZINC000424182428 387898314 /nfs/dbraw/zinc/89/83/14/387898314.db2.gz UARCOPYGVFRGDO-BDAKNGLRSA-N 0 3 228.292 0.134 20 0 BCADHN COCCC(C)(C)CNC(=O)[C@@H]1C[C@@H]1N ZINC000424174375 387875558 /nfs/dbraw/zinc/87/55/58/387875558.db2.gz OYNKVBTZFBTBGF-BDAKNGLRSA-N 0 3 214.309 0.513 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)CCn1ccnc1 ZINC000433165991 387875572 /nfs/dbraw/zinc/87/55/72/387875572.db2.gz DQGPZZITQMIKOG-GFCCVEGCSA-N 0 3 241.335 0.601 20 0 BCADHN O=C(C(F)F)N1CC[C@H](N2CCCC2)C1 ZINC000236132747 387875857 /nfs/dbraw/zinc/87/58/57/387875857.db2.gz AYNMLTKIVWJGRU-QMMMGPOBSA-N 0 3 218.247 0.948 20 0 BCADHN CC(=O)NCCCNC(=O)[C@@H](N)C(C)(C)C ZINC000151739829 387878523 /nfs/dbraw/zinc/87/85/23/387878523.db2.gz SPCBVEFRPXXWRN-SECBINFHSA-N 0 3 229.324 0.002 20 0 BCADHN CC(=O)CCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000157905001 387883573 /nfs/dbraw/zinc/88/35/73/387883573.db2.gz QXVQYRCXJLLSFF-ONGXEEELSA-N 0 3 226.320 0.955 20 0 BCADHN CCOCCN[C@H](C(N)=O)C(C)(C)C ZINC000152285751 387884082 /nfs/dbraw/zinc/88/40/82/387884082.db2.gz JBZPQMRMSGGSFQ-MRVPVSSYSA-N 0 3 202.298 0.513 20 0 BCADHN CCN(CC)CC(=O)N(C)[C@H](C)COC ZINC000194625244 387888269 /nfs/dbraw/zinc/88/82/69/387888269.db2.gz NARJCYFQJHJZOI-SNVBAGLBSA-N 0 3 216.325 0.822 20 0 BCADHN OCCN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444729671 387917856 /nfs/dbraw/zinc/91/78/56/387917856.db2.gz SDHRDAANLSEXSZ-JGVFFNPUSA-N 0 3 227.226 0.614 20 0 BCADHN CN(CCC[C@@H]1CCOC1)CC(N)=O ZINC000645775904 387899781 /nfs/dbraw/zinc/89/97/81/387899781.db2.gz DDLSCXZVSZJXNP-SECBINFHSA-N 0 3 200.282 0.220 20 0 BCADHN COCCO[C@H]1CCN(CCC(=O)N(C)C)C1 ZINC000444747769 387919192 /nfs/dbraw/zinc/91/91/92/387919192.db2.gz BYOPFVBBENYDIR-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H]1CC[C@H](F)C1 ZINC000423123342 387902633 /nfs/dbraw/zinc/90/26/33/387902633.db2.gz LGBPRKOFDALGIO-XWLWVQCSSA-N 0 3 244.310 0.760 20 0 BCADHN Cn1c(NC(=O)[C@@H]2C[C@@H]2N)nc2cccnc21 ZINC000424186077 387903395 /nfs/dbraw/zinc/90/33/95/387903395.db2.gz HHWNZKUATIXTEL-RQJHMYQMSA-N 0 3 231.259 0.254 20 0 BCADHN CCCC[C@@H](N)C(=O)NC[C@@H](C)C(=O)OCC ZINC000236753437 387904269 /nfs/dbraw/zinc/90/42/69/387904269.db2.gz WLLAEZCEWHKQMP-NXEZZACHSA-N 0 3 244.335 0.819 20 0 BCADHN CCOCC[C@@H](O)CN1CC[C@H](O)C(C)(C)C1 ZINC000444676361 387907075 /nfs/dbraw/zinc/90/70/75/387907075.db2.gz ULDXYNSBEKRKDL-NEPJUHHUSA-N 0 3 245.363 0.867 20 0 BCADHN CCc1cc(NC(=O)C2(N)CC2)n(C)n1 ZINC000514667716 387908744 /nfs/dbraw/zinc/90/87/44/387908744.db2.gz ALSRDVYAWXPXIY-UHFFFAOYSA-N 0 3 208.265 0.412 20 0 BCADHN O=C(CC1(O)CCC1)NCCN1CCCCC1 ZINC000448710798 387909026 /nfs/dbraw/zinc/90/90/26/387909026.db2.gz VIIZCLZXZDGEMZ-UHFFFAOYSA-N 0 3 240.347 0.894 20 0 BCADHN CCCN(CC(C)C)C(=O)C(=O)N(C)CCN ZINC000423132332 387909311 /nfs/dbraw/zinc/90/93/11/387909311.db2.gz UJXKGAXGHKXTNI-UHFFFAOYSA-N 0 3 243.351 0.298 20 0 BCADHN CCOCC[C@@H](O)CN(C)CCOCC ZINC000444686475 387909419 /nfs/dbraw/zinc/90/94/19/387909419.db2.gz SSBVLYXKMVKKAP-LLVKDONJSA-N 0 3 219.325 0.742 20 0 BCADHN CC(C)N(CC(=O)N1CCNC1=O)CC1CC1 ZINC000533029714 387919514 /nfs/dbraw/zinc/91/95/14/387919514.db2.gz CJOZTFWKUARUEZ-UHFFFAOYSA-N 0 3 239.319 0.659 20 0 BCADHN Cc1nnccc1NC(=O)N[C@@H](C)CN(C)C ZINC000437002182 387910800 /nfs/dbraw/zinc/91/08/00/387910800.db2.gz GCICRTKJBYUYQP-QMMMGPOBSA-N 0 3 237.307 0.857 20 0 BCADHN CN(C)c1ccccc1CN1C[C@@H](O)[C@H](O)C1 ZINC000444688992 387910882 /nfs/dbraw/zinc/91/08/82/387910882.db2.gz DVCNKLDPIJQCKP-CHWSQXEVSA-N 0 3 236.315 0.290 20 0 BCADHN CN(C)c1ccccc1CN1C[C@H](O)[C@@H](O)C1 ZINC000444688993 387911120 /nfs/dbraw/zinc/91/11/20/387911120.db2.gz DVCNKLDPIJQCKP-STQMWFEESA-N 0 3 236.315 0.290 20 0 BCADHN CC(C)(C)OCCCCN1C[C@H](O)[C@@H](O)C1 ZINC000444700945 387913080 /nfs/dbraw/zinc/91/30/80/387913080.db2.gz GTRLNQWXOFZORI-QWRGUYRKSA-N 0 3 231.336 0.619 20 0 BCADHN Cc1[nH]nc2ncc(NC(=O)[C@@H]3C[C@@H]3N)cc12 ZINC000424190049 387913223 /nfs/dbraw/zinc/91/32/23/387913223.db2.gz LOMRDHIEHJWKAG-BDAKNGLRSA-N 0 3 231.259 0.552 20 0 BCADHN COc1ccnc(CN[C@H]2CN(C)C[C@H]2C)n1 ZINC000424190359 387913671 /nfs/dbraw/zinc/91/36/71/387913671.db2.gz NZYFKKDFLLZVBW-ZJUUUORDSA-N 0 3 236.319 0.525 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCCCC(=O)OC ZINC000236967151 387913954 /nfs/dbraw/zinc/91/39/54/387913954.db2.gz STEQBSWTCQSWLY-MWLCHTKSSA-N 0 3 244.335 0.819 20 0 BCADHN Cc1nccn1CCCCN1C[C@H](O)[C@@H](O)C1 ZINC000444710933 387915407 /nfs/dbraw/zinc/91/54/07/387915407.db2.gz WDKWKCBUHFBNNQ-RYUDHWBXSA-N 0 3 239.319 0.009 20 0 BCADHN Cn1cccc1CNCC1(C)OCCO1 ZINC000179555960 387930768 /nfs/dbraw/zinc/93/07/68/387930768.db2.gz VBDOWLXUDXCHET-UHFFFAOYSA-N 0 3 210.277 0.878 20 0 BCADHN CC/C=C\CN[C@@H]1CCN[C@@H]1C(=O)OCC ZINC000423152770 387931610 /nfs/dbraw/zinc/93/16/10/387931610.db2.gz FPBZYUOHZKXKTP-MXFLAHGMSA-N 0 3 226.320 0.836 20 0 BCADHN CC/C=C\CN[C@@H]1CCN[C@H]1C(=O)OCC ZINC000423152769 387932708 /nfs/dbraw/zinc/93/27/08/387932708.db2.gz FPBZYUOHZKXKTP-ADRPCIBZSA-N 0 3 226.320 0.836 20 0 BCADHN O=C(N[C@@H]1C[C@H]1C1CCC1)[C@H]1C[C@H](F)CN1 ZINC000424215562 387933478 /nfs/dbraw/zinc/93/34/78/387933478.db2.gz GIZQEKVSQGJRTN-UKKRHICBSA-N 0 3 226.295 0.991 20 0 BCADHN CC(C)[C@H](CO)C(=O)NCCN1CCCC1 ZINC000448602260 387933601 /nfs/dbraw/zinc/93/36/01/387933601.db2.gz ABMRLJRVGSANFK-NSHDSACASA-N 0 3 228.336 0.463 20 0 BCADHN CNCC(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424217493 387935373 /nfs/dbraw/zinc/93/53/73/387935373.db2.gz LWDNQGFBVUJTDQ-JQWIXIFHSA-N 0 3 222.263 0.959 20 0 BCADHN CNCC(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424217495 387935609 /nfs/dbraw/zinc/93/56/09/387935609.db2.gz LWDNQGFBVUJTDQ-ZYHUDNBSSA-N 0 3 222.263 0.959 20 0 BCADHN CCN(CC)CC(=O)N(C)CC(C)(C)CO ZINC000452895658 387935907 /nfs/dbraw/zinc/93/59/07/387935907.db2.gz BMZBGGQXIVEGDJ-UHFFFAOYSA-N 0 3 230.352 0.805 20 0 BCADHN CC(C)N(C)CC(=O)N(C)CC(C)(C)CO ZINC000452900614 387936745 /nfs/dbraw/zinc/93/67/45/387936745.db2.gz RJJUZAUSHZWIHQ-UHFFFAOYSA-N 0 3 230.352 0.804 20 0 BCADHN CCn1nncc1CN[C@H]1CCC[C@@]1(C)CO ZINC000459404584 387936744 /nfs/dbraw/zinc/93/67/44/387936744.db2.gz DNEPMSJYJAEMTJ-RYUDHWBXSA-N 0 3 238.335 0.939 20 0 BCADHN C[C@@H](O)CN1CCN(CC[C@@H]2CCOC2)CC1 ZINC000438282310 387921164 /nfs/dbraw/zinc/92/11/64/387921164.db2.gz UXWOOLYKDFWPLW-CHWSQXEVSA-N 0 3 242.363 0.411 20 0 BCADHN CN(C)[C@@H](CNC(=O)CN)Cc1ccccc1 ZINC000237136634 387922116 /nfs/dbraw/zinc/92/21/16/387922116.db2.gz IXOMEICPBZWBOA-GFCCVEGCSA-N 0 3 235.331 0.234 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@@]1(C)CCCCN1 ZINC000237104857 387922611 /nfs/dbraw/zinc/92/26/11/387922611.db2.gz PQPAUMNZCVPNEQ-BXKDBHETSA-N 0 3 242.319 0.444 20 0 BCADHN CNCC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000237262030 387925013 /nfs/dbraw/zinc/92/50/13/387925013.db2.gz IBRUSSWZRZCWKU-GHMZBOCLSA-N 0 3 236.319 0.702 20 0 BCADHN CNCC(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000237181869 387925416 /nfs/dbraw/zinc/92/54/16/387925416.db2.gz IOQVIFILWFKDRW-GDPRMGEGSA-N 0 3 226.320 0.478 20 0 BCADHN CNCC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000237206612 387925658 /nfs/dbraw/zinc/92/56/58/387925658.db2.gz ISUCCQAHBIDVBK-GFCCVEGCSA-N 0 3 233.315 0.919 20 0 BCADHN NCC(=O)NC1CCN(c2cccs2)CC1 ZINC000237958130 387929235 /nfs/dbraw/zinc/92/92/35/387929235.db2.gz QRZSARCUIZIKDH-UHFFFAOYSA-N 0 3 239.344 0.792 20 0 BCADHN CO[C@@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)C(C)C ZINC000452983023 387952188 /nfs/dbraw/zinc/95/21/88/387952188.db2.gz YTMDDQNATJNXJT-QJPTWQEYSA-N 0 3 240.347 0.820 20 0 BCADHN CCNC(=O)CNC[C@@](C)(CC)OC ZINC000322605282 387938347 /nfs/dbraw/zinc/93/83/47/387938347.db2.gz JHWDABPENALCGW-SNVBAGLBSA-N 0 3 202.298 0.527 20 0 BCADHN CN(C[C@@H]1CCCO1)C(=O)[C@H]1NCC1(C)C ZINC000645870241 387938675 /nfs/dbraw/zinc/93/86/75/387938675.db2.gz IQGGRMLLCDUVFN-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@H](C)NC(=O)CCN1CCN(CC)CC1 ZINC000243342131 387939597 /nfs/dbraw/zinc/93/95/97/387939597.db2.gz LTMLMKVUWCTCJA-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CN(C(=O)C[C@@H]1CNCCO1)C1CCC1 ZINC000158206589 387940143 /nfs/dbraw/zinc/94/01/43/387940143.db2.gz AADHURUENDVPQD-SNVBAGLBSA-N 0 3 212.293 0.376 20 0 BCADHN COC(=O)C[C@@H]1CCCN1C[C@H]1COCCO1 ZINC000450599227 387940344 /nfs/dbraw/zinc/94/03/44/387940344.db2.gz SGSDJNFNHSDMFS-QWRGUYRKSA-N 0 3 243.303 0.429 20 0 BCADHN CCOC(=O)CC(=O)NCC1(N(C)C)CCC1 ZINC000438515510 387940666 /nfs/dbraw/zinc/94/06/66/387940666.db2.gz HRHGRFDMQFRPOY-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](O)C(C)(C)C1 ZINC000438534776 387942041 /nfs/dbraw/zinc/94/20/41/387942041.db2.gz WJHPERUXBFTWBF-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](CO)[C@@H]1CC ZINC000452962454 387945600 /nfs/dbraw/zinc/94/56/00/387945600.db2.gz SSZCEBMOEDIQFI-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H]1C ZINC000245458760 387947484 /nfs/dbraw/zinc/94/74/84/387947484.db2.gz VANGFUQGNKRHAP-RKDXNWHRSA-N 0 3 227.308 0.705 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)C(=O)N[C@H](C)CN ZINC000418923377 387948488 /nfs/dbraw/zinc/94/84/88/387948488.db2.gz MBNVBOOGLTWJTM-YIZRAAEISA-N 0 3 229.324 0.001 20 0 BCADHN C[C@H](CNC(=O)[C@]1(C)CCCO1)N(C)C ZINC000445522060 387948610 /nfs/dbraw/zinc/94/86/10/387948610.db2.gz URLWOCLZBUPWAP-KOLCDFICSA-N 0 3 214.309 0.622 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@@]3(C)CCCO3)C[C@@H]21 ZINC000452975085 387949472 /nfs/dbraw/zinc/94/94/72/387949472.db2.gz MZLUKTYHIYIJNK-NTZNESFSSA-N 0 3 238.331 0.718 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@H]3CCSC3)C[C@@H]21 ZINC000452972498 387950364 /nfs/dbraw/zinc/95/03/64/387950364.db2.gz ITECDPYSOCVCFN-VWYCJHECSA-N 0 3 240.372 0.902 20 0 BCADHN CCNC(=O)NC(=O)CN(CC(C)C)C1CC1 ZINC000044898301 387950873 /nfs/dbraw/zinc/95/08/73/387950873.db2.gz RNIZZMLIXNVSMG-UHFFFAOYSA-N 0 3 241.335 0.953 20 0 BCADHN CC[C@](C)(CNCC(=O)NC1CC1)OC ZINC000322669242 387957992 /nfs/dbraw/zinc/95/79/92/387957992.db2.gz FLMZAUBBTQQAAH-LLVKDONJSA-N 0 3 214.309 0.670 20 0 BCADHN COC[C@@H](C)CC(=O)NCCN1CCCC1 ZINC000445760764 387963295 /nfs/dbraw/zinc/96/32/95/387963295.db2.gz XJGMQPYSLJAGKG-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN Cc1ccc(CN(C)C(=O)COC2CNC2)o1 ZINC000438919500 387963407 /nfs/dbraw/zinc/96/34/07/387963407.db2.gz JFTOJGXJMKSKSM-UHFFFAOYSA-N 0 3 238.287 0.535 20 0 BCADHN COC[C@H](C)CC(=O)NCCN1CCCC1 ZINC000445760762 387963903 /nfs/dbraw/zinc/96/39/03/387963903.db2.gz XJGMQPYSLJAGKG-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CN(Cc1ccccn1)C(=O)COC1CNC1 ZINC000438931729 387964313 /nfs/dbraw/zinc/96/43/13/387964313.db2.gz AZWNSIVHDBMWAN-UHFFFAOYSA-N 0 3 235.287 0.028 20 0 BCADHN COC[C@H](C)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453033492 387967013 /nfs/dbraw/zinc/96/70/13/387967013.db2.gz JVTMWXSVTOPTRY-GARJFASQSA-N 0 3 226.320 0.431 20 0 BCADHN CC(C)C(=O)NCCN(C)CC[C@@H](C)O ZINC000438990506 387972303 /nfs/dbraw/zinc/97/23/03/387972303.db2.gz JCRHYDYOAOEEBP-SNVBAGLBSA-N 0 3 216.325 0.461 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@H](N)C1CCC1 ZINC000423185769 387969328 /nfs/dbraw/zinc/96/93/28/387969328.db2.gz WFSDJUHJONBHPE-JMJZKYOTSA-N 0 3 228.336 0.637 20 0 BCADHN C[C@H](O)CCN(C)C1(C(N)=O)CCCC1 ZINC000438975388 387969675 /nfs/dbraw/zinc/96/96/75/387969675.db2.gz GLNBRFUEUAZOJO-VIFPVBQESA-N 0 3 214.309 0.487 20 0 BCADHN CC(C)C(=O)NC1CCN(CC[C@H](C)O)CC1 ZINC000438976593 387969902 /nfs/dbraw/zinc/96/99/02/387969902.db2.gz QSWNDCCQVSYTLD-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](O)CCN1CCC[C@H]1C(=O)N(C)C ZINC000438991950 387970856 /nfs/dbraw/zinc/97/08/56/387970856.db2.gz FGUJSWKFVQUVGQ-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN CCc1nnc(C[NH2+][C@@H](C)CCOC)[n-]1 ZINC000392332404 387957342 /nfs/dbraw/zinc/95/73/42/387957342.db2.gz CTMKSIKOJMWSMU-QMMMGPOBSA-N 0 3 212.297 0.882 20 0 BCADHN CCNC(=O)[C@@H](NC1CSC1)C(C)C ZINC000646236104 387980156 /nfs/dbraw/zinc/98/01/56/387980156.db2.gz AAXBULIGPZKDKB-VIFPVBQESA-N 0 3 216.350 0.852 20 0 BCADHN CC(C)C(=O)N1CCCN(CC[C@@H](C)O)CC1 ZINC000439008039 387974020 /nfs/dbraw/zinc/97/40/20/387974020.db2.gz ZTSPEBJZBPXOBI-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN CCN(C)C(=O)CN(C)CC1(N(C)C)CCC1 ZINC000445872785 387975998 /nfs/dbraw/zinc/97/59/98/387975998.db2.gz YTHIYLHXYMKUEO-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)NCCN(C)C)CO1 ZINC000439258130 387988218 /nfs/dbraw/zinc/98/82/18/387988218.db2.gz MLZPMZYIQFLXLC-RKDXNWHRSA-N 0 3 200.282 0.089 20 0 BCADHN CNC(=O)CCN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446073145 387995867 /nfs/dbraw/zinc/99/58/67/387995867.db2.gz RYPYTMQUCZTODT-AEJSXWLSSA-N 0 3 214.309 0.620 20 0 BCADHN COC[C@@H]1CN(C[C@H]2CCOC2)C[C@H](C)O1 ZINC000439271909 387989406 /nfs/dbraw/zinc/98/94/06/387989406.db2.gz JRLVJNULKKSXEZ-TUAOUCFPSA-N 0 3 229.320 0.759 20 0 BCADHN Cn1ccnc1CNC[C@H]1CCNCC1(F)F ZINC000424363718 387990497 /nfs/dbraw/zinc/99/04/97/387990497.db2.gz CAZBMBWQCSYRCP-SECBINFHSA-N 0 3 244.289 0.755 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N(CCO)C1CC1 ZINC000439296566 387991284 /nfs/dbraw/zinc/99/12/84/387991284.db2.gz PSFKJTGNMQEUET-QWRGUYRKSA-N 0 3 240.347 0.843 20 0 BCADHN CCS(=O)(=O)NCCN1CC[C@@H](C)[C@@H](C)C1 ZINC000245883374 387991448 /nfs/dbraw/zinc/99/14/48/387991448.db2.gz IKNJSNHXJZDKEN-MNOVXSKESA-N 0 3 248.392 0.904 20 0 BCADHN COC[C@H]1CN(CCC(C)(C)O)C[C@H](C)O1 ZINC000439285887 387992584 /nfs/dbraw/zinc/99/25/84/387992584.db2.gz PSISGJDATKTVNP-WDEREUQCSA-N 0 3 231.336 0.883 20 0 BCADHN C(C[C@H]1CCOC1)CN1CCc2n[nH]nc2C1 ZINC000645885798 387983416 /nfs/dbraw/zinc/98/34/16/387983416.db2.gz GQKBLQDEZQTFPQ-JTQLQIEISA-N 0 3 236.319 0.980 20 0 BCADHN CCOC(=O)[C@@H](C)CNC(=O)[C@H](N)C1CCC1 ZINC000423197929 387983868 /nfs/dbraw/zinc/98/38/68/387983868.db2.gz CAAQQMUENGMURS-WCBMZHEXSA-N 0 3 242.319 0.429 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)Cn2cccn2)CCS1 ZINC000245839893 387985153 /nfs/dbraw/zinc/98/51/53/387985153.db2.gz YFMKJSJMSMUJKP-GHMZBOCLSA-N 0 3 241.360 0.681 20 0 BCADHN CNC(=O)NC(=O)CN1CC[C@H](C)[C@H](C)C1 ZINC000245847635 387985451 /nfs/dbraw/zinc/98/54/51/387985451.db2.gz CKCHEGMQHSTPTD-DTWKUNHWSA-N 0 3 227.308 0.420 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000423200187 387985468 /nfs/dbraw/zinc/98/54/68/387985468.db2.gz DSSSMWRJYFUUAQ-GRYCIOLGSA-N 0 3 242.363 0.898 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000423200189 387986519 /nfs/dbraw/zinc/98/65/19/387986519.db2.gz DSSSMWRJYFUUAQ-UTUOFQBUSA-N 0 3 242.363 0.898 20 0 BCADHN COC(=O)CC1CC(NCc2cncn2C)C1 ZINC000424352731 387986851 /nfs/dbraw/zinc/98/68/51/387986851.db2.gz QJKYDRQRHOOANV-UHFFFAOYSA-N 0 3 237.303 0.851 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)NCCN2CCCC2)CO1 ZINC000439257275 387986875 /nfs/dbraw/zinc/98/68/75/387986875.db2.gz KAMZRDZKHKNLET-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN COC[C@@H](O)CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446081303 387997598 /nfs/dbraw/zinc/99/75/98/387997598.db2.gz NFVWZVUIQJVEQF-ZDCRXTMVSA-N 0 3 217.309 0.491 20 0 BCADHN COC[C@@H](O)CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446081300 387998458 /nfs/dbraw/zinc/99/84/58/387998458.db2.gz NFVWZVUIQJVEQF-MMWGEVLESA-N 0 3 217.309 0.491 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H]1CC12CC2 ZINC000424373912 387999346 /nfs/dbraw/zinc/99/93/46/387999346.db2.gz KEQGFFNNBZEUFX-LPEHRKFASA-N 0 3 224.304 0.422 20 0 BCADHN COC[C@@](C)(O)CNCc1ccc(C)cn1 ZINC000309660163 388000845 /nfs/dbraw/zinc/00/08/45/388000845.db2.gz RATCURANQVJWCL-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N(C)CCCSC ZINC000439475809 388002757 /nfs/dbraw/zinc/00/27/57/388002757.db2.gz ZFBWZKHWUWPLST-QMMMGPOBSA-N 0 3 247.364 0.515 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCC[C@@H](O)C1)N(C)C ZINC000439411124 387996371 /nfs/dbraw/zinc/99/63/71/387996371.db2.gz NFCWRJLGEKKTBP-OUAUKWLOSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCC[C@H](O)C1)N(C)C ZINC000439411123 387996692 /nfs/dbraw/zinc/99/66/92/387996692.db2.gz NFCWRJLGEKKTBP-MXWKQRLJSA-N 0 3 228.336 0.604 20 0 BCADHN Cn1nccc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000108331094 388024429 /nfs/dbraw/zinc/02/44/29/388024429.db2.gz VJBPCHPUXPFMHY-JTQLQIEISA-N 0 3 236.319 0.492 20 0 BCADHN Cn1nccc1CNC[C@H](CO)Cc1ccco1 ZINC000533187652 388012371 /nfs/dbraw/zinc/01/23/71/388012371.db2.gz AZFNTWCIRAGUTD-LLVKDONJSA-N 0 3 249.314 0.954 20 0 BCADHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(N)(=O)=O ZINC000246128349 388012644 /nfs/dbraw/zinc/01/26/44/388012644.db2.gz OQZGVEVRAHHXQL-AEJSXWLSSA-N 0 3 249.380 0.146 20 0 BCADHN COC[C@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000446320127 388013267 /nfs/dbraw/zinc/01/32/67/388013267.db2.gz MPTNJUDUTVDKEL-LPEHRKFASA-N 0 3 230.283 0.181 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@H]1CCN(C2CC2)C1 ZINC000081900964 388013752 /nfs/dbraw/zinc/01/37/52/388013752.db2.gz NQMVHYSSOOMHIH-UWVGGRQHSA-N 0 3 246.376 0.246 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@H]2C[C@H](F)CN2)n1 ZINC000446379749 388016357 /nfs/dbraw/zinc/01/63/57/388016357.db2.gz XZOMQCGYWDRKNR-MHSYXAOVSA-N 0 3 242.254 0.255 20 0 BCADHN c1cnn(CCN2CCC(n3cncn3)CC2)c1 ZINC000156652145 388017623 /nfs/dbraw/zinc/01/76/23/388017623.db2.gz WCRVQYQWJCMJQU-UHFFFAOYSA-N 0 3 246.318 0.812 20 0 BCADHN CC[NH+](CC)C[C@H](C)NC(=O)c1c[n-]nn1 ZINC000082238574 388018030 /nfs/dbraw/zinc/01/80/30/388018030.db2.gz GVFNTGYMCPHLMN-QMMMGPOBSA-N 0 3 225.296 0.265 20 0 BCADHN CC[NH+](CC)C[C@H](C)NC(=O)c1cnn[n-]1 ZINC000082238574 388018032 /nfs/dbraw/zinc/01/80/32/388018032.db2.gz GVFNTGYMCPHLMN-QMMMGPOBSA-N 0 3 225.296 0.265 20 0 BCADHN CC[NH+](CC)C[C@H](C)NC(=O)c1cn[n-]n1 ZINC000082238574 388018033 /nfs/dbraw/zinc/01/80/33/388018033.db2.gz GVFNTGYMCPHLMN-QMMMGPOBSA-N 0 3 225.296 0.265 20 0 BCADHN O=C(c1cnccn1)N1CC[C@H](N2CCCC2)C1 ZINC000082258605 388019393 /nfs/dbraw/zinc/01/93/93/388019393.db2.gz IYRXQGFMTICMCP-NSHDSACASA-N 0 3 246.314 0.787 20 0 BCADHN CO[C@H]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000446417821 388019638 /nfs/dbraw/zinc/01/96/38/388019638.db2.gz LDNYUXRMWYYPIJ-MMWGEVLESA-N 0 3 244.310 0.618 20 0 BCADHN CN1CCN(C(=O)CN)c2ccccc2C1 ZINC000082276491 388020904 /nfs/dbraw/zinc/02/09/04/388020904.db2.gz LMGWWPAPRTZJFJ-UHFFFAOYSA-N 0 3 219.288 0.424 20 0 BCADHN CCN(C)C(=O)[C@@H](N[C@H](C)CC(N)=O)C(C)C ZINC000453280324 388032942 /nfs/dbraw/zinc/03/29/42/388032942.db2.gz JOPRZQCXWHOFDH-KOLCDFICSA-N 0 3 243.351 0.343 20 0 BCADHN CCCN(C)CC(=O)N(CCO)C1CCC1 ZINC000440158171 388033405 /nfs/dbraw/zinc/03/34/05/388033405.db2.gz NHCDEVVKBIFUBD-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN CCNC(=O)NC(=O)CN1CC[C@@H](C(C)C)C1 ZINC000446728726 388034106 /nfs/dbraw/zinc/03/41/06/388034106.db2.gz LLNIVYGOCIILMB-SNVBAGLBSA-N 0 3 241.335 0.810 20 0 BCADHN CN1CCC[C@@H](CNC(=O)NC2CC2)C1 ZINC000108537011 388034613 /nfs/dbraw/zinc/03/46/13/388034613.db2.gz CFEOIQDCZNMHJG-VIFPVBQESA-N 0 3 211.309 0.790 20 0 BCADHN O=C(c1cccc2c[nH]nc21)N1CCNCC1 ZINC000082652858 388038093 /nfs/dbraw/zinc/03/80/93/388038093.db2.gz SXESIVMHFKWOBU-UHFFFAOYSA-N 0 3 230.271 0.608 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C)nn1C(F)F ZINC000341267049 177784648 /nfs/dbraw/zinc/78/46/48/177784648.db2.gz YTXACCQOJYMNHZ-UHFFFAOYSA-N 0 3 246.261 0.878 20 0 BCADHN CC[C@H](F)CN(C[C@@H](C)O)[C@@H](C)CO ZINC000440519878 388051209 /nfs/dbraw/zinc/05/12/09/388051209.db2.gz UWCPHNQEJOQCAU-AEJSXWLSSA-N 0 3 207.289 0.798 20 0 BCADHN COC[C@@H](NCC(=O)NCC1CC1)C(C)C ZINC000083399840 388051343 /nfs/dbraw/zinc/05/13/43/388051343.db2.gz HVSZIJOAQBZOAX-LLVKDONJSA-N 0 3 228.336 0.773 20 0 BCADHN CCn1cc(CNCC2(O)CCOCC2)cn1 ZINC000083421834 388051904 /nfs/dbraw/zinc/05/19/04/388051904.db2.gz LEXRPRXSOGQJJJ-UHFFFAOYSA-N 0 3 239.319 0.534 20 0 BCADHN CCC(O)(CC)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000083463854 388052444 /nfs/dbraw/zinc/05/24/44/388052444.db2.gz DFYAYSZHQTZCJT-SNVBAGLBSA-N 0 3 249.376 0.704 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1cn(C)nc1C ZINC000083569789 388054879 /nfs/dbraw/zinc/05/48/79/388054879.db2.gz JKAFKZWTNAWWOG-WPRPVWTQSA-N 0 3 227.308 0.386 20 0 BCADHN COC[C@@H](O)CN[C@H](C)c1cn(C)nc1C ZINC000083569787 388055618 /nfs/dbraw/zinc/05/56/18/388055618.db2.gz JKAFKZWTNAWWOG-SCZZXKLOSA-N 0 3 227.308 0.386 20 0 BCADHN COC(C)(C)CN(C)[C@@H]1CCN(C)C1=O ZINC000533346026 388056911 /nfs/dbraw/zinc/05/69/11/388056911.db2.gz DPQSADWBDRRPGH-SECBINFHSA-N 0 3 214.309 0.574 20 0 BCADHN C[C@H](CN1CCCCC1)NC(=O)C1(N)CC1 ZINC000083834473 388064123 /nfs/dbraw/zinc/06/41/23/388064123.db2.gz HIWGKKIDIWAIMN-SNVBAGLBSA-N 0 3 225.336 0.468 20 0 BCADHN CNCC(=O)N1CCC[C@H](c2nc(C)no2)C1 ZINC000083928370 388066459 /nfs/dbraw/zinc/06/64/59/388066459.db2.gz YBAXTHJLDPHDPY-VIFPVBQESA-N 0 3 238.291 0.303 20 0 BCADHN CC[C@H](N[C@@H](C)[C@@H]1CCCO1)C(=O)NC ZINC000453388349 388066717 /nfs/dbraw/zinc/06/67/17/388066717.db2.gz CFASGNXYSLCFAJ-GUBZILKMSA-N 0 3 214.309 0.668 20 0 BCADHN C[C@H](N)C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC000083929681 388066799 /nfs/dbraw/zinc/06/67/99/388066799.db2.gz VHNZDUSMTWQHNM-VIFPVBQESA-N 0 3 249.314 0.352 20 0 BCADHN CC(=O)NCc1ccc(NC(=O)[C@@H](C)N)cc1 ZINC000083915540 388067041 /nfs/dbraw/zinc/06/70/41/388067041.db2.gz GGWBUPHMJBRESK-MRVPVSSYSA-N 0 3 235.287 0.608 20 0 BCADHN COC(=O)CC1(CN(CCO)CCCO)CC1 ZINC000440704248 388070747 /nfs/dbraw/zinc/07/07/47/388070747.db2.gz LEPNXDPXPDRFMI-UHFFFAOYSA-N 0 3 245.319 0.006 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000084091816 388071918 /nfs/dbraw/zinc/07/19/18/388071918.db2.gz ZBSXMVVUGPHVNG-SKDRFNHKSA-N 0 3 241.335 0.241 20 0 BCADHN CC[C@H](N)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000084200506 388073486 /nfs/dbraw/zinc/07/34/86/388073486.db2.gz GAUZJXQHBWPESP-QWRGUYRKSA-N 0 3 225.336 0.420 20 0 BCADHN COC1(CCN[C@@H](C)CS(C)(=O)=O)CCC1 ZINC000336657696 388073667 /nfs/dbraw/zinc/07/36/67/388073667.db2.gz NHMRJOLHQSIVHH-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN CN(C)CCOc1cccc(NC(=O)CO)c1 ZINC000448838072 388114974 /nfs/dbraw/zinc/11/49/74/388114974.db2.gz WOGAGKQWOTVEBA-UHFFFAOYSA-N 0 3 238.287 0.558 20 0 BCADHN CC[C@@H]1CCC[C@H](NC(=O)C(=O)NCCN)C1 ZINC000085068744 388083807 /nfs/dbraw/zinc/08/38/07/388083807.db2.gz ZNCCWWDWCGAPAQ-ZJUUUORDSA-N 0 3 241.335 0.146 20 0 BCADHN CC[C@H]1CCC[C@H](NC(=O)C(=O)NCCN)C1 ZINC000085068747 388083871 /nfs/dbraw/zinc/08/38/71/388083871.db2.gz ZNCCWWDWCGAPAQ-UWVGGRQHSA-N 0 3 241.335 0.146 20 0 BCADHN Cc1ccc(S(=O)(=O)NC2CNC2)cc1C ZINC000085256510 388085858 /nfs/dbraw/zinc/08/58/58/388085858.db2.gz WCMRMEJFWJRPGW-UHFFFAOYSA-N 0 3 240.328 0.554 20 0 BCADHN CC1(C(N)=O)CN(CCC[C@@H]2CCOC2)C1 ZINC000645958880 388089102 /nfs/dbraw/zinc/08/91/02/388089102.db2.gz FEKYKSAIOUBRGO-SNVBAGLBSA-N 0 3 226.320 0.610 20 0 BCADHN CC[C@H]1CN([C@H]2COC[C@H]2O)CCCO1 ZINC000463214449 388089148 /nfs/dbraw/zinc/08/91/48/388089148.db2.gz KUPVQNUCVYJTSZ-GARJFASQSA-N 0 3 215.293 0.247 20 0 BCADHN CN(CC[C@H]1CCCO1)[C@H]1COC[C@H]1O ZINC000463202327 388089182 /nfs/dbraw/zinc/08/91/82/388089182.db2.gz LKBITLQDTNMTCE-OUAUKWLOSA-N 0 3 215.293 0.247 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCCC(=O)N1)N(C)C ZINC000447752483 388091565 /nfs/dbraw/zinc/09/15/65/388091565.db2.gz GUJJAXUJHQRKJC-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CC(=O)NCCCN1C[C@H](O)C(C)(C)C1 ZINC000447799313 388094366 /nfs/dbraw/zinc/09/43/66/388094366.db2.gz HOVNBSCAOHCBCZ-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN CN(CCn1cccn1)C(=O)[C@@H]1NCC1(C)C ZINC000645965427 388095052 /nfs/dbraw/zinc/09/50/52/388095052.db2.gz YLJQOYQPMHBZNX-JTQLQIEISA-N 0 3 236.319 0.340 20 0 BCADHN C[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)C[C@H]1C ZINC000086014143 388099095 /nfs/dbraw/zinc/09/90/95/388099095.db2.gz BSSOBWPTVBSBNS-GMTAPVOTSA-N 0 3 226.320 0.479 20 0 BCADHN CC1(C)CN(CCOCC(F)F)C[C@H]1O ZINC000447876043 388099668 /nfs/dbraw/zinc/09/96/68/388099668.db2.gz XFBTWZJVVYCEPT-MRVPVSSYSA-N 0 3 223.263 0.971 20 0 BCADHN COCCN(C)CCNC(=O)N(C)C(C)C ZINC000086391248 388101488 /nfs/dbraw/zinc/10/14/88/388101488.db2.gz KKQCQIICACQKKH-UHFFFAOYSA-N 0 3 231.340 0.614 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1ccncc1 ZINC000086468111 388102547 /nfs/dbraw/zinc/10/25/47/388102547.db2.gz XDJIPDFVNGVYNX-WDEREUQCSA-N 0 3 233.315 0.833 20 0 BCADHN CCOC(=O)CCCN[C@@H](CO)[C@H]1CCCO1 ZINC000447919075 388103605 /nfs/dbraw/zinc/10/36/05/388103605.db2.gz CUTVOZFTKFAUMD-WDEREUQCSA-N 0 3 245.319 0.459 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454261813 388111057 /nfs/dbraw/zinc/11/10/57/388111057.db2.gz DOVSDRBFDPVLKU-NOOOWODRSA-N 0 3 237.347 0.988 20 0 BCADHN C[C@H]1C[C@H]1CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454261811 388111153 /nfs/dbraw/zinc/11/11/53/388111153.db2.gz DOVSDRBFDPVLKU-FIQHERPVSA-N 0 3 237.347 0.988 20 0 BCADHN COCCCCNC(=O)NC[C@H](C)N(C)C ZINC000454278507 388112034 /nfs/dbraw/zinc/11/20/34/388112034.db2.gz LPPJBQNXMXYXPX-JTQLQIEISA-N 0 3 231.340 0.662 20 0 BCADHN COC[C@H]1CCCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000645984669 388116235 /nfs/dbraw/zinc/11/62/35/388116235.db2.gz XFDBGOAIONPYIE-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN CCOC[C@H](O)CN1CC(C(C)(C)O)C1 ZINC000447002354 388047719 /nfs/dbraw/zinc/04/77/19/388047719.db2.gz AFXXBJQSBBGOHQ-SNVBAGLBSA-N 0 3 217.309 0.087 20 0 BCADHN CN(C)CCNC(=O)Cc1cnn2ccccc12 ZINC000648713696 388048058 /nfs/dbraw/zinc/04/80/58/388048058.db2.gz VMTZKZBHSKADGL-UHFFFAOYSA-N 0 3 246.314 0.555 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCc2ncncc2C1 ZINC000648713698 388048249 /nfs/dbraw/zinc/04/82/49/388048249.db2.gz VRVCEGJHWKIICO-SNVBAGLBSA-N 0 3 248.330 0.259 20 0 BCADHN CSCC[C@@H](N)C(=O)NCCCOC(C)C ZINC000083379662 388050299 /nfs/dbraw/zinc/05/02/99/388050299.db2.gz MZKXLILCIIITCY-SNVBAGLBSA-N 0 3 248.392 0.998 20 0 BCADHN CC[C@H](F)CN(C[C@H](C)O)[C@@H](C)CO ZINC000440519885 388050444 /nfs/dbraw/zinc/05/04/44/388050444.db2.gz UWCPHNQEJOQCAU-GUBZILKMSA-N 0 3 207.289 0.798 20 0 BCADHN CC[C@H](F)CN(C[C@@H](C)O)[C@H](C)CO ZINC000440519882 388050474 /nfs/dbraw/zinc/05/04/74/388050474.db2.gz UWCPHNQEJOQCAU-BBBLOLIVSA-N 0 3 207.289 0.798 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@H](O)Cn1cccn1 ZINC000646142334 388155943 /nfs/dbraw/zinc/15/59/43/388155943.db2.gz GYLBFLLUYZZLRJ-UTUOFQBUSA-N 0 3 239.319 0.089 20 0 BCADHN CCOC[C@H]1CCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000646145974 388156527 /nfs/dbraw/zinc/15/65/27/388156527.db2.gz HYJCYHYZKNZFHN-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@@H]1COCCO1 ZINC000646145081 388156603 /nfs/dbraw/zinc/15/66/03/388156603.db2.gz RHCZCNCTHOKDQF-GMTAPVOTSA-N 0 3 215.293 0.247 20 0 BCADHN CCNC(=O)CN[C@H](C)Cc1ccoc1 ZINC000449222897 388158869 /nfs/dbraw/zinc/15/88/69/388158869.db2.gz WUUZOMWPFBENNX-SECBINFHSA-N 0 3 210.277 0.936 20 0 BCADHN CCC[C@H]1CNCCN1C(=O)[C@H](C)NC1CC1 ZINC000449379701 388187620 /nfs/dbraw/zinc/18/76/20/388187620.db2.gz JQKDMVNFDQEOJV-JQWIXIFHSA-N 0 3 239.363 0.727 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@H](O)[C@@H](C)C1 ZINC000249965932 388160725 /nfs/dbraw/zinc/16/07/25/388160725.db2.gz JYEUWBJGSRQGLI-CABZTGNLSA-N 0 3 223.320 0.931 20 0 BCADHN CN1CCC(NC(=O)N[C@H]2CCC[C@@H]2O)CC1 ZINC000172516381 388162176 /nfs/dbraw/zinc/16/21/76/388162176.db2.gz MJQCYOZXWXIVBM-QWRGUYRKSA-N 0 3 241.335 0.293 20 0 BCADHN CC[C@H](C)CC(=O)N[C@@H](CO)CN(C)C ZINC000646208912 388164294 /nfs/dbraw/zinc/16/42/94/388164294.db2.gz NRCRKHABFASOJQ-VHSXEESVSA-N 0 3 216.325 0.461 20 0 BCADHN CNS(=O)(=O)CCN[C@H](C)Cc1ccoc1 ZINC000449269522 388164374 /nfs/dbraw/zinc/16/43/74/388164374.db2.gz NNAMWRLDXDFBSE-SECBINFHSA-N 0 3 246.332 0.349 20 0 BCADHN CCCN[C@@H](C)C(=O)N1CCNC(=O)C1(C)C ZINC000449275723 388165335 /nfs/dbraw/zinc/16/53/35/388165335.db2.gz OJGPNUVXDVDXHQ-VIFPVBQESA-N 0 3 241.335 0.112 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)c1ccc(Cl)o1 ZINC000646211062 388165338 /nfs/dbraw/zinc/16/53/38/388165338.db2.gz QCHIDGWXPFRTII-SSDOTTSWSA-N 0 3 246.694 0.585 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)Cc1ccsc1 ZINC000646211931 388165454 /nfs/dbraw/zinc/16/54/54/388165454.db2.gz GETAIXOKURHFFS-JTQLQIEISA-N 0 3 242.344 0.329 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)c1cc(Cl)c[nH]1 ZINC000646210840 388165480 /nfs/dbraw/zinc/16/54/80/388165480.db2.gz IVCKDRYQUVRDGD-QMMMGPOBSA-N 0 3 245.710 0.320 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)CCC(C)(C)C ZINC000646212284 388165917 /nfs/dbraw/zinc/16/59/17/388165917.db2.gz YCXPDDSVHLUZAP-SNVBAGLBSA-N 0 3 230.352 0.851 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000646252057 388169927 /nfs/dbraw/zinc/16/99/27/388169927.db2.gz QQDKNOVBWBUBQG-KOLCDFICSA-N 0 3 248.330 0.901 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000646247460 388169961 /nfs/dbraw/zinc/16/99/61/388169961.db2.gz QNLIUMZUTKWMIE-MWLCHTKSSA-N 0 3 248.330 0.381 20 0 BCADHN COC[C@H](CO)N[C@@H](C)Cc1ccoc1 ZINC000449303243 388170048 /nfs/dbraw/zinc/17/00/48/388170048.db2.gz WPYFJONIPIMJHN-ONGXEEELSA-N 0 3 213.277 0.808 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)[C@H]1NCC1(C)C ZINC000646246980 388170433 /nfs/dbraw/zinc/17/04/33/388170433.db2.gz ZAXOGXYMGDUCRO-VHSXEESVSA-N 0 3 228.336 0.508 20 0 BCADHN CNC(=O)[C@H](C)N[C@H](C)Cc1ccoc1 ZINC000449339880 388176034 /nfs/dbraw/zinc/17/60/34/388176034.db2.gz LMEMSTFIJJGMSQ-BDAKNGLRSA-N 0 3 210.277 0.935 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2cncnc2)[C@H](C)CN1 ZINC000646298805 388178716 /nfs/dbraw/zinc/17/87/16/388178716.db2.gz RXOORUIXLAQTSD-NXEZZACHSA-N 0 3 234.303 0.228 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCc1ccncn1 ZINC000646298687 388178720 /nfs/dbraw/zinc/17/87/20/388178720.db2.gz AKJPRBHDTIUQPF-WDEREUQCSA-N 0 3 248.330 0.618 20 0 BCADHN C[C@H]1CN(C(=O)CCc2ccncn2)[C@@H](C)CN1 ZINC000646298686 388178975 /nfs/dbraw/zinc/17/89/75/388178975.db2.gz AKJPRBHDTIUQPF-QWRGUYRKSA-N 0 3 248.330 0.618 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@](C)(O)C1CCC1 ZINC000488507171 388182914 /nfs/dbraw/zinc/18/29/14/388182914.db2.gz PUQRWXUHGNXESA-CABZTGNLSA-N 0 3 228.336 0.604 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@](C)(O)C3CC3)C[C@@H]21 ZINC000456168933 388183100 /nfs/dbraw/zinc/18/31/00/388183100.db2.gz OYRCWSPDXUFNGV-SUZMYJTESA-N 0 3 238.331 0.310 20 0 BCADHN COCc1nocc1C(=O)N[C@@H](C)CN(C)C ZINC000488508018 388183540 /nfs/dbraw/zinc/18/35/40/388183540.db2.gz SCQWUPLHOJOMPY-QMMMGPOBSA-N 0 3 241.291 0.501 20 0 BCADHN CC[C@H](NC(=O)CN(CC)CC)[C@@H](C)O ZINC000456209254 388184726 /nfs/dbraw/zinc/18/47/26/388184726.db2.gz IGYGNLVWELLASO-ZJUUUORDSA-N 0 3 216.325 0.604 20 0 BCADHN C[C@@H](O)CN1CCN(C[C@H]2C[C@@H]2C)CC1 ZINC000488537839 388185074 /nfs/dbraw/zinc/18/50/74/388185074.db2.gz BNGQJPUDRMJJDJ-QJPTWQEYSA-N 0 3 212.337 0.641 20 0 BCADHN CC[C@H](O)CC(=O)NCCN(CC)C1CC1 ZINC000448896506 388118472 /nfs/dbraw/zinc/11/84/72/388118472.db2.gz NMQMZSRUDFIZJO-NSHDSACASA-N 0 3 228.336 0.748 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CC[C@@H](S(N)(=O)=O)C1 ZINC000488542338 388185907 /nfs/dbraw/zinc/18/59/07/388185907.db2.gz ZGYAQMVPIAWWTQ-IWSPIJDZSA-N 0 3 218.322 0.005 20 0 BCADHN Cn1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1=O ZINC000645991297 388121505 /nfs/dbraw/zinc/12/15/05/388121505.db2.gz AINLPFIJFBOBSA-OLZOCXBDSA-N 0 3 248.326 0.996 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(CCOC)C1 ZINC000448935830 388121607 /nfs/dbraw/zinc/12/16/07/388121607.db2.gz JZRUWVLSZIKMKS-GRYCIOLGSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@H](NC(=O)NCCN(C)C)C(F)F ZINC000640812589 388121703 /nfs/dbraw/zinc/12/17/03/388121703.db2.gz MZHRMVWBLZAOPF-ZETCQYMHSA-N 0 3 223.267 0.891 20 0 BCADHN CN(C)CCN(C(=O)CO)C1CCCC1 ZINC000448973707 388124384 /nfs/dbraw/zinc/12/43/84/388124384.db2.gz DTGBHOQXMULXQT-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN CC[C@H](O)CC(=O)NCCN(C)CC ZINC000448975989 388124850 /nfs/dbraw/zinc/12/48/50/388124850.db2.gz KTLUQVSAWHCCQM-VIFPVBQESA-N 0 3 202.298 0.215 20 0 BCADHN CCN(C)CCNC(=O)C1(C(=O)C2CC2)CC1 ZINC000448977515 388125287 /nfs/dbraw/zinc/12/52/87/388125287.db2.gz SRIHCHRIWKYTNP-UHFFFAOYSA-N 0 3 238.331 0.814 20 0 BCADHN NC1(C(=O)Nc2cnn(CC(F)F)c2)CCC1 ZINC000646020410 388125411 /nfs/dbraw/zinc/12/54/11/388125411.db2.gz XLQZPIPCUKOMNE-UHFFFAOYSA-N 0 3 244.245 0.968 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@@H]1CCCO1 ZINC000162216963 388125698 /nfs/dbraw/zinc/12/56/98/388125698.db2.gz JDLAJNQLXWNIFA-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCOC ZINC000162215790 388126277 /nfs/dbraw/zinc/12/62/77/388126277.db2.gz JLZAZGBNDMTDRF-MRVPVSSYSA-N 0 3 209.311 0.046 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCCN1CCCC1 ZINC000162219610 388127590 /nfs/dbraw/zinc/12/75/90/388127590.db2.gz QBNHSXRFSAPOKT-NSHDSACASA-N 0 3 248.392 0.495 20 0 BCADHN Cc1c(C(=O)N2CCN3CCC[C@H]3C2)cnn1C ZINC000171585774 388130124 /nfs/dbraw/zinc/13/01/24/388130124.db2.gz CYEZVFUKAUGJTH-NSHDSACASA-N 0 3 248.330 0.649 20 0 BCADHN COCC[C@H](C)N(C)CCNC(C)=O ZINC000646045740 388131305 /nfs/dbraw/zinc/13/13/05/388131305.db2.gz ISAXDHPDSKZPBP-VIFPVBQESA-N 0 3 202.298 0.479 20 0 BCADHN COC[C@@H]1CCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000646052869 388133490 /nfs/dbraw/zinc/13/34/90/388133490.db2.gz QOKZTATYEFOKNN-ZJUUUORDSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@@H](Oc1ccccn1)C(=O)NCCN(C)C ZINC000449050737 388135902 /nfs/dbraw/zinc/13/59/02/388135902.db2.gz QCYUNZCTEBXLHO-SNVBAGLBSA-N 0 3 237.303 0.527 20 0 BCADHN CC(C)[C@@](C)(O)CN[C@H](C)CS(C)(=O)=O ZINC000162255581 388136502 /nfs/dbraw/zinc/13/65/02/388136502.db2.gz KIVNFNQDDGDOID-ZJUUUORDSA-N 0 3 237.365 0.416 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)NC[C@H](C)N(C)C)C1 ZINC000454843942 388136721 /nfs/dbraw/zinc/13/67/21/388136721.db2.gz KBCALIQXQNDPEN-HBNTYKKESA-N 0 3 243.351 0.803 20 0 BCADHN CC(=O)Nc1ccccc1CNC(=O)C(C)(C)N ZINC000646079741 388138952 /nfs/dbraw/zinc/13/89/52/388138952.db2.gz OIGRNBUVBZBXBJ-UHFFFAOYSA-N 0 3 249.314 0.999 20 0 BCADHN CCCN[C@H](C)C(=O)N[C@H]1CCCCNC1=O ZINC000449093988 388141203 /nfs/dbraw/zinc/14/12/03/388141203.db2.gz XYRBUWHCXQLUSN-ZJUUUORDSA-N 0 3 241.335 0.159 20 0 BCADHN CO[C@@H](C)[C@@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000454967717 388142799 /nfs/dbraw/zinc/14/27/99/388142799.db2.gz KGCJZHRODBGVPY-AEJSXWLSSA-N 0 3 231.340 0.659 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H](CO)C(C)C ZINC000162301886 388146288 /nfs/dbraw/zinc/14/62/88/388146288.db2.gz GTLDHJGESMXSCR-NXEZZACHSA-N 0 3 237.365 0.416 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000646133842 388151517 /nfs/dbraw/zinc/15/15/17/388151517.db2.gz DFAYIUDJNPLSBP-AEJSXWLSSA-N 0 3 224.304 0.374 20 0 BCADHN CS[C@H](C)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000162340149 388153940 /nfs/dbraw/zinc/15/39/40/388153940.db2.gz FBSPZLKGUZEKAR-RKDXNWHRSA-N 0 3 237.390 0.905 20 0 BCADHN CC(C)CNC(=O)CN[C@@H](C)[C@@H](C)CO ZINC000164912787 388248943 /nfs/dbraw/zinc/24/89/43/388248943.db2.gz GHPKSRLLXGFYPP-UWVGGRQHSA-N 0 3 216.325 0.365 20 0 BCADHN CCn1nccc1CN[C@H](C)CN(C)C ZINC000164857057 388249077 /nfs/dbraw/zinc/24/90/77/388249077.db2.gz KGRUIGQVMUMIQP-SNVBAGLBSA-N 0 3 210.325 0.943 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@@H](C)[C@@H](C)CO ZINC000164913724 388249430 /nfs/dbraw/zinc/24/94/30/388249430.db2.gz RSTYYAQONFBJTL-GUBZILKMSA-N 0 3 216.325 0.508 20 0 BCADHN C[C@@H](CO)[C@H](C)N[C@@H](C)C(=O)N(C)C ZINC000164911555 388249439 /nfs/dbraw/zinc/24/94/39/388249439.db2.gz QSQQLNVFEJVLKU-CIUDSAMLSA-N 0 3 202.298 0.070 20 0 BCADHN CCO[C@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449663118 388250775 /nfs/dbraw/zinc/25/07/75/388250775.db2.gz NRLBZKPBCYZOHB-HTQZYQBOSA-N 0 3 236.262 0.525 20 0 BCADHN NCC(=O)NC[C@@H](CCO)c1ccccc1 ZINC000490735100 388250839 /nfs/dbraw/zinc/25/08/39/388250839.db2.gz VBOPOZCLAFBNAG-LLVKDONJSA-N 0 3 222.288 0.228 20 0 BCADHN CC[C@H](N)C(=O)NCCCOC[C@H]1CCOC1 ZINC000490807285 388255771 /nfs/dbraw/zinc/25/57/71/388255771.db2.gz BFQVRJACCYSMLZ-MNOVXSKESA-N 0 3 244.335 0.283 20 0 BCADHN O[C@H](CN[C@@H]1COC[C@@H]1O)CC1CCCC1 ZINC000323311390 388257381 /nfs/dbraw/zinc/25/73/81/388257381.db2.gz RMHKGRJZWMFALN-TUAOUCFPSA-N 0 3 229.320 0.277 20 0 BCADHN CSC[C@H](O)CN1CCN(C)C[C@H]1C ZINC000488598529 388189683 /nfs/dbraw/zinc/18/96/83/388189683.db2.gz RXETUCBIQIOCJE-NXEZZACHSA-N 0 3 218.366 0.346 20 0 BCADHN CCCCCNC(=O)CN1CC[C@@H](CO)[C@@H]1C ZINC000488723159 388192155 /nfs/dbraw/zinc/19/21/55/388192155.db2.gz WEIQHXOIDCWJCM-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN OCCN1CCCC[C@H]1CNCc1cc[nH]n1 ZINC000449394370 388193550 /nfs/dbraw/zinc/19/35/50/388193550.db2.gz NWFOFUFPAKLWKF-LBPRGKRZSA-N 0 3 238.335 0.346 20 0 BCADHN C[C@H]1C[C@H](CN2CCc3nn[nH]c3C2)CCO1 ZINC000489017823 388201493 /nfs/dbraw/zinc/20/14/93/388201493.db2.gz UQSAWFKWNBUSOB-VHSXEESVSA-N 0 3 236.319 0.978 20 0 BCADHN C[C@H]1C[C@H](CN2CCc3n[nH]nc3C2)CCO1 ZINC000489017823 388201494 /nfs/dbraw/zinc/20/14/94/388201494.db2.gz UQSAWFKWNBUSOB-VHSXEESVSA-N 0 3 236.319 0.978 20 0 BCADHN C[C@@H](C[S@](C)=O)NCc1cccn1C ZINC000164287618 388202092 /nfs/dbraw/zinc/20/20/92/388202092.db2.gz LCYNYNVFJOMMIY-LKFCYVNXSA-N 0 3 214.334 0.882 20 0 BCADHN CO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1OC ZINC000489171365 388204950 /nfs/dbraw/zinc/20/49/50/388204950.db2.gz AZYFNPAPSRTYGI-GHMZBOCLSA-N 0 3 244.335 0.199 20 0 BCADHN C[C@@H](C[S@](C)=O)NCc1ccn(C)c1 ZINC000164292457 388205602 /nfs/dbraw/zinc/20/56/02/388205602.db2.gz CWKNJOVNXJSMTN-LKFCYVNXSA-N 0 3 214.334 0.882 20 0 BCADHN COC[C@@H](CCO)NCc1cccnc1 ZINC000164298357 388206394 /nfs/dbraw/zinc/20/63/94/388206394.db2.gz LXHFZARWWWENTJ-LLVKDONJSA-N 0 3 210.277 0.569 20 0 BCADHN CC(C)(N)C(=O)NCCCOC[C@H]1CCOC1 ZINC000490895743 388259013 /nfs/dbraw/zinc/25/90/13/388259013.db2.gz WDAWQTILGAYBMG-SNVBAGLBSA-N 0 3 244.335 0.283 20 0 BCADHN CC(C)OC(=O)[C@H](C)NC(=O)CN(C)C(C)C ZINC000456635606 388212092 /nfs/dbraw/zinc/21/20/92/388212092.db2.gz OMGSAUFEYBZLQU-JTQLQIEISA-N 0 3 244.335 0.783 20 0 BCADHN CN(C[C@@H](O)CN1CCCC1=O)[C@H]1CC1(C)C ZINC000489435027 388214065 /nfs/dbraw/zinc/21/40/65/388214065.db2.gz XCVKZUGFGWDQQC-MNOVXSKESA-N 0 3 240.347 0.700 20 0 BCADHN CNS(=O)(=O)CCCN(C)[C@H]1CC1(C)C ZINC000489440373 388214694 /nfs/dbraw/zinc/21/46/94/388214694.db2.gz BRMQGEANVPYEQL-VIFPVBQESA-N 0 3 234.365 0.656 20 0 BCADHN COCCN(CCCO)[C@@H]1CCO[C@H]1C ZINC000489477109 388217781 /nfs/dbraw/zinc/21/77/81/388217781.db2.gz JCJKNSRBBMTAHN-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN CC[C@@H](NC(=O)[C@H](CC)N(C)C)[C@@H](O)CC ZINC000456733658 388218233 /nfs/dbraw/zinc/21/82/33/388218233.db2.gz SMJLJDHISPYPPR-VWYCJHECSA-N 0 3 230.352 0.992 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC(=O)CN(C)C(C)C ZINC000456793628 388222242 /nfs/dbraw/zinc/22/22/42/388222242.db2.gz MXFNEEMRVVFWTE-GHMZBOCLSA-N 0 3 244.335 0.247 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000489865567 388225757 /nfs/dbraw/zinc/22/57/57/388225757.db2.gz XITGUNQXJCGJTQ-QMMMGPOBSA-N 0 3 222.292 0.121 20 0 BCADHN C[C@H](Cn1cncn1)NC(=O)C1(N)CCCC1 ZINC000489878271 388226837 /nfs/dbraw/zinc/22/68/37/388226837.db2.gz IHLVFOGPEPFROL-SECBINFHSA-N 0 3 237.307 0.054 20 0 BCADHN CC(C)OC(=O)CCNC(=O)C1(N)CCCC1 ZINC000489948593 388227988 /nfs/dbraw/zinc/22/79/88/388227988.db2.gz VMSFKJBSJIJAFJ-UHFFFAOYSA-N 0 3 242.319 0.716 20 0 BCADHN COCCN(CCCCO)[C@H]1CCOC1 ZINC000490040432 388230714 /nfs/dbraw/zinc/23/07/14/388230714.db2.gz DTPSRTUKTQZMPL-NSHDSACASA-N 0 3 217.309 0.496 20 0 BCADHN COCCN(CCCC(=O)OC)[C@@H]1CCOC1 ZINC000490059805 388232697 /nfs/dbraw/zinc/23/26/97/388232697.db2.gz WUIUSMHTJWTLHX-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN CN[C@H](C)C(=O)N(CCC(N)=O)c1ccccc1 ZINC000521068068 256567406 /nfs/dbraw/zinc/56/74/06/256567406.db2.gz KNRFJIGXTZYJTI-SNVBAGLBSA-N 0 3 249.314 0.503 20 0 BCADHN CC[C@H](N)C(=O)NC1(C(=O)OC)CCCCC1 ZINC000490072294 388233874 /nfs/dbraw/zinc/23/38/74/388233874.db2.gz AZEBRKVWTZYVSW-VIFPVBQESA-N 0 3 242.319 0.716 20 0 BCADHN CC[C@@H](COC)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000090181845 256580598 /nfs/dbraw/zinc/58/05/98/256580598.db2.gz LNABJFKDNDSJHH-UWVGGRQHSA-N 0 3 226.320 0.764 20 0 BCADHN COCCN(C)C[C@H](O)CN1CC[C@](C)(F)C1 ZINC000518394818 256570402 /nfs/dbraw/zinc/57/04/02/256570402.db2.gz ZNTMUWDKUYLAFU-RYUDHWBXSA-N 0 3 248.342 0.359 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCCO[C@@H](C)C1 ZINC000070714669 388237634 /nfs/dbraw/zinc/23/76/34/388237634.db2.gz ZNFRPOGGXKEUNK-ONGXEEELSA-N 0 3 231.292 0.021 20 0 BCADHN CCC[C@@H](O)CN(CCOC)[C@@H]1CCOC1 ZINC000450875431 388260133 /nfs/dbraw/zinc/26/01/33/388260133.db2.gz NJAPHKSCLFCOJK-VXGBXAGGSA-N 0 3 231.336 0.885 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000490456473 388239466 /nfs/dbraw/zinc/23/94/66/388239466.db2.gz ZXYDIWSJCXTRNQ-NSHDSACASA-N 0 3 225.336 0.291 20 0 BCADHN C[C@@H](O)CN1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000459450083 388244520 /nfs/dbraw/zinc/24/45/20/388244520.db2.gz YBROCKCYEDNREJ-WISYIIOYSA-N 0 3 229.320 0.636 20 0 BCADHN CC[C@@H](C)N1CCN(Cc2nnn(C)n2)CC1 ZINC000449626138 388245020 /nfs/dbraw/zinc/24/50/20/388245020.db2.gz CYMWWPDVLIURCJ-SNVBAGLBSA-N 0 3 238.339 0.126 20 0 BCADHN CC[C@@H](C)N1CCN(Cc2cnnn2C)CC1 ZINC000449634770 388246859 /nfs/dbraw/zinc/24/68/59/388246859.db2.gz WPGYWEFDQFEPLL-LLVKDONJSA-N 0 3 237.351 0.731 20 0 BCADHN CN(C)CCNC(=O)/C=C\c1ccncc1 ZINC000491262350 388280770 /nfs/dbraw/zinc/28/07/70/388280770.db2.gz NDTUKVZRSCHGRU-ARJAWSKDSA-N 0 3 219.288 0.773 20 0 BCADHN CCN1CCC[C@H]1CNS(=O)(=O)CC1CC1 ZINC000491299661 388283949 /nfs/dbraw/zinc/28/39/49/388283949.db2.gz UFIHSKFQOBJXFR-NSHDSACASA-N 0 3 246.376 0.800 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C1(C(=O)C2CC2)CC1 ZINC000451767431 388294858 /nfs/dbraw/zinc/29/48/58/388294858.db2.gz ZOZAVRHFMRSZOS-VIFPVBQESA-N 0 3 238.331 0.812 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)/C=C\c2ccnn2C)C1 ZINC000491449525 388295154 /nfs/dbraw/zinc/29/51/54/388295154.db2.gz QAQTZASSNYMKKD-QMAVJUDZSA-N 0 3 248.330 0.596 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)/C=C\c2ccnn2C)C1 ZINC000491449526 388295240 /nfs/dbraw/zinc/29/52/40/388295240.db2.gz QAQTZASSNYMKKD-RXNFCKPNSA-N 0 3 248.330 0.596 20 0 BCADHN CC(=O)[C@@](C)(O)CN[C@@H]1COCC1(C)C ZINC000451808950 388298031 /nfs/dbraw/zinc/29/80/31/388298031.db2.gz HVKHOKYBBAPAMV-KOLCDFICSA-N 0 3 215.293 0.341 20 0 BCADHN CC[C@@H](C)N1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000451820088 388298582 /nfs/dbraw/zinc/29/85/82/388298582.db2.gz CPFAHLVSJYNGKA-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN CC[C@@H](C)N1CCN(Cc2ncnn2C)CC1 ZINC000451850715 388301295 /nfs/dbraw/zinc/30/12/95/388301295.db2.gz XSEQXJRBJVEAFQ-LLVKDONJSA-N 0 3 237.351 0.731 20 0 BCADHN CC[C@H](C)N1CCN(Cc2ncnn2C)CC1 ZINC000451850716 388301450 /nfs/dbraw/zinc/30/14/50/388301450.db2.gz XSEQXJRBJVEAFQ-NSHDSACASA-N 0 3 237.351 0.731 20 0 BCADHN CNCCNS(=O)(=O)CCC1CCC1 ZINC000261528639 135154593 /nfs/dbraw/zinc/15/45/93/135154593.db2.gz MZFYOHXTAUSRBM-UHFFFAOYSA-N 0 3 220.338 0.315 20 0 BCADHN CSC[C@](C)(O)CNC(=O)/C=C\CN(C)C ZINC000491841640 388324213 /nfs/dbraw/zinc/32/42/13/388324213.db2.gz CQTBRVDHCMVIPG-ISALQUGTSA-N 0 3 246.376 0.334 20 0 BCADHN CCCCN(CC(N)=O)C(=O)/C=C\CN(C)C ZINC000491848762 388324804 /nfs/dbraw/zinc/32/48/04/388324804.db2.gz TUNYCKZTQDCUMD-SREVYHEPSA-N 0 3 241.335 0.218 20 0 BCADHN CN(C)C/C=C/C(=O)N1CC(n2ccnc2)C1 ZINC000491861858 388324947 /nfs/dbraw/zinc/32/49/47/388324947.db2.gz AWMVRXXQJVPRJA-ONEGZZNKSA-N 0 3 234.303 0.384 20 0 BCADHN CC[C@@](C)(NC(=O)/C=C\CN(C)C)C(=O)OC ZINC000491872134 388325485 /nfs/dbraw/zinc/32/54/85/388325485.db2.gz QWPAKSHVEOTCJL-QDZRJHCZSA-N 0 3 242.319 0.562 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCN(C2CC2)CC1 ZINC000491874715 388325921 /nfs/dbraw/zinc/32/59/21/388325921.db2.gz WLSRJUXDYUDIMA-ARJAWSKDSA-N 0 3 237.347 0.411 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)Cc1ccon1 ZINC000491873914 388325958 /nfs/dbraw/zinc/32/59/58/388325958.db2.gz VMZXWBALOKHYHR-PLNGDYQASA-N 0 3 223.276 0.751 20 0 BCADHN CN(C)C/C=C\C(=O)NCc1ccnn1C ZINC000491885262 388326098 /nfs/dbraw/zinc/32/60/98/388326098.db2.gz ONCWQVPPXRYWSU-PLNGDYQASA-N 0 3 222.292 0.154 20 0 BCADHN C[NH+](C)C/C=C\C(=O)[N-]O[C@H]1CCCCO1 ZINC000491886363 388326384 /nfs/dbraw/zinc/32/63/84/388326384.db2.gz QXPIWQLAUHAVFL-GZTOBOFZSA-N 0 3 228.292 0.679 20 0 BCADHN CCOC(=O)CN(CC)C(=O)/C=C\CN(C)C ZINC000491887281 388326583 /nfs/dbraw/zinc/32/65/83/388326583.db2.gz SOYNZGMKOWFCTR-FPLPWBNLSA-N 0 3 242.319 0.516 20 0 BCADHN CCCN1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000491902084 388327048 /nfs/dbraw/zinc/32/70/48/388327048.db2.gz BBZWFKKAKHQNEA-WAYWQWQTSA-N 0 3 239.363 0.658 20 0 BCADHN Cc1ncc(NC(=O)/C=C\CN(C)C)cn1 ZINC000491905479 388327139 /nfs/dbraw/zinc/32/71/39/388327139.db2.gz MXFAQMMQYUFNCB-PLNGDYQASA-N 0 3 220.276 0.841 20 0 BCADHN COC[C@H](NC(=O)/C=C\CN(C)C)C(C)C ZINC000491940111 388327787 /nfs/dbraw/zinc/32/77/87/388327787.db2.gz PUYDHQRKTLIPEG-ZADCQDASSA-N 0 3 228.336 0.891 20 0 BCADHN CN(C)C/C=C\C(=O)NCC1(O)CCCCC1 ZINC000491923253 388327868 /nfs/dbraw/zinc/32/78/68/388327868.db2.gz BJABRFOWQWCFQA-SREVYHEPSA-N 0 3 240.347 0.916 20 0 BCADHN CCc1cc(CNC(=O)/C=C/CN(C)C)on1 ZINC000491925255 388328123 /nfs/dbraw/zinc/32/81/23/388328123.db2.gz MIBLOJIDMFSNAE-AATRIKPKSA-N 0 3 237.303 0.971 20 0 BCADHN COCCOC[C@@H](C)NC(=O)/C=C\CN(C)C ZINC000491947416 388329247 /nfs/dbraw/zinc/32/92/47/388329247.db2.gz YQOXJRULVOMHJK-ISALQUGTSA-N 0 3 244.335 0.272 20 0 BCADHN CN(C)C/C=C\C(=O)NCc1cccn1C ZINC000491951635 388329265 /nfs/dbraw/zinc/32/92/65/388329265.db2.gz XNIPAQBOZJOQDX-ALCCZGGFSA-N 0 3 221.304 0.759 20 0 BCADHN CCC(CC)[C@@H](O)CNC(=O)C1(N)CC1 ZINC000226346895 388261228 /nfs/dbraw/zinc/26/12/28/388261228.db2.gz BKLLSFDOEMAJHY-VIFPVBQESA-N 0 3 214.309 0.391 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CC[C@@H](SC)C1 ZINC000451320423 388262605 /nfs/dbraw/zinc/26/26/05/388262605.db2.gz AIJTWGXHFFRCGP-KOLCDFICSA-N 0 3 247.360 0.738 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000490988649 388264440 /nfs/dbraw/zinc/26/44/40/388264440.db2.gz MUEYICOLASWMEL-GARJFASQSA-N 0 3 226.320 0.751 20 0 BCADHN O=C(CC1CC[NH2+]CC1)Nc1ccncc1[O-] ZINC000645952783 388267225 /nfs/dbraw/zinc/26/72/25/388267225.db2.gz TVIJPMMEOYYUOH-UHFFFAOYSA-N 0 3 235.287 0.537 20 0 BCADHN O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccncc1[O-] ZINC000645952478 388267389 /nfs/dbraw/zinc/26/73/89/388267389.db2.gz CFURPSZNGTYOIG-VIFPVBQESA-N 0 3 235.287 0.680 20 0 BCADHN CC[C@H](C)CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246349401 388268240 /nfs/dbraw/zinc/26/82/40/388268240.db2.gz FNAQTFNCCZQKAX-IVZWLZJFSA-N 0 3 214.309 0.607 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC(CF)CC1 ZINC000451390520 388268597 /nfs/dbraw/zinc/26/85/97/388268597.db2.gz CWDLLHFYHMRIMC-NSHDSACASA-N 0 3 233.283 0.592 20 0 BCADHN Cc1cnn(CCN2CC[C@](O)(C(F)F)C2)c1 ZINC000451420856 388270989 /nfs/dbraw/zinc/27/09/89/388270989.db2.gz ARTUNOSYSXLQSG-LLVKDONJSA-N 0 3 245.273 0.893 20 0 BCADHN CC[C@@](C)(O)CN1CC[C@](O)(C(F)F)C1 ZINC000451421403 388271334 /nfs/dbraw/zinc/27/13/34/388271334.db2.gz BRJWRQBERCWKLY-NXEZZACHSA-N 0 3 223.263 0.849 20 0 BCADHN Nc1ncc(CNC2(CO)CCC2)s1 ZINC000261529598 135155454 /nfs/dbraw/zinc/15/54/54/135155454.db2.gz UAUGOZYHEARPQE-UHFFFAOYSA-N 0 3 213.306 0.730 20 0 BCADHN CC(C)OCCN1CC(C)(C(N)=O)C1 ZINC000645956796 388274347 /nfs/dbraw/zinc/27/43/47/388274347.db2.gz RFVQPGJDLJZYFT-UHFFFAOYSA-N 0 3 200.282 0.219 20 0 BCADHN C[C@@H]1CN(CCN2CCC[C@@H](O)[C@@H]2C)CCO1 ZINC000451449914 388274741 /nfs/dbraw/zinc/27/47/41/388274741.db2.gz CQOZYPOQNCGLIP-FRRDWIJNSA-N 0 3 242.363 0.552 20 0 BCADHN CC1(C(N)=O)CN(CCc2ccncc2)C1 ZINC000645957281 388274856 /nfs/dbraw/zinc/27/48/56/388274856.db2.gz LAXNSNBYCMWXOD-UHFFFAOYSA-N 0 3 219.288 0.431 20 0 BCADHN CCOC[C@H]1CCCN([C@H]2COC[C@H]2O)C1 ZINC000463074731 388276743 /nfs/dbraw/zinc/27/67/43/388276743.db2.gz HYHVIVHVEWRJKS-SDDRHHMPSA-N 0 3 229.320 0.495 20 0 BCADHN CN(C)C/C=C/C(=O)NCc1ncccc1F ZINC000492009401 388331345 /nfs/dbraw/zinc/33/13/45/388331345.db2.gz RSWCGSRCYADHTD-GQCTYLIASA-N 0 3 237.278 0.955 20 0 BCADHN CCO[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1C ZINC000451523703 388279164 /nfs/dbraw/zinc/27/91/64/388279164.db2.gz JWXSHEXIJAHMFJ-QWRGUYRKSA-N 0 3 228.336 0.822 20 0 BCADHN CC(C)C[C@@H](CO)NC(=O)/C=C\CN(C)C ZINC000492285492 388340490 /nfs/dbraw/zinc/34/04/90/388340490.db2.gz YHHILRQZVGQGGG-GZTOBOFZSA-N 0 3 228.336 0.627 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCC(CCO)CC1 ZINC000492303668 388340577 /nfs/dbraw/zinc/34/05/77/388340577.db2.gz INDKAOQTOKSBOM-ONEGZZNKSA-N 0 3 240.347 0.725 20 0 BCADHN CN(C)C/C=C\C(=O)NCCc1ccon1 ZINC000492322275 388341331 /nfs/dbraw/zinc/34/13/31/388341331.db2.gz VNTCFWXJLWHPQH-ARJAWSKDSA-N 0 3 223.276 0.451 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC[C@H]1CCCO ZINC000492329373 388341541 /nfs/dbraw/zinc/34/15/41/388341541.db2.gz KVCKGEYTRITZNS-LDJOOVGUSA-N 0 3 240.347 0.868 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC[C@@H]1CCCO ZINC000492329372 388341575 /nfs/dbraw/zinc/34/15/75/388341575.db2.gz KVCKGEYTRITZNS-HXUAIIEXSA-N 0 3 240.347 0.868 20 0 BCADHN CSC[C@H](O)CN1C[C@H](C)N(C)C[C@@H]1C ZINC000492434969 388344255 /nfs/dbraw/zinc/34/42/55/388344255.db2.gz DJTKNJJPJLPVAE-GARJFASQSA-N 0 3 232.393 0.735 20 0 BCADHN CSC[C@H](O)CN1C[C@@H](C)N(C)C[C@H]1C ZINC000492434970 388344397 /nfs/dbraw/zinc/34/43/97/388344397.db2.gz DJTKNJJPJLPVAE-GMTAPVOTSA-N 0 3 232.393 0.735 20 0 BCADHN CC[C@@H](CO)NCc1cnc(N(C)C)nc1 ZINC000275819736 388346459 /nfs/dbraw/zinc/34/64/59/388346459.db2.gz MRAGDNIHOXHGAU-JTQLQIEISA-N 0 3 224.308 0.403 20 0 BCADHN COC(=O)c1cc(CNC[C@@H](C)OC)c[nH]1 ZINC000276143409 388346951 /nfs/dbraw/zinc/34/69/51/388346951.db2.gz CVATVPOJPPVVOH-MRVPVSSYSA-N 0 3 226.276 0.926 20 0 BCADHN COC(=O)c1cc(CNC[C@H](C)OC)c[nH]1 ZINC000276143413 388347251 /nfs/dbraw/zinc/34/72/51/388347251.db2.gz CVATVPOJPPVVOH-QMMMGPOBSA-N 0 3 226.276 0.926 20 0 BCADHN COCCn1cc(CNC[C@H](C)OC)cn1 ZINC000276244328 388348936 /nfs/dbraw/zinc/34/89/36/388348936.db2.gz VAKULHNUPOILMF-JTQLQIEISA-N 0 3 227.308 0.654 20 0 BCADHN COC(=O)[C@@H](NCc1cn[nH]c1C)C1CC1 ZINC000276550138 388349796 /nfs/dbraw/zinc/34/97/96/388349796.db2.gz ZAOKHKKFOLEPMF-JTQLQIEISA-N 0 3 223.276 0.759 20 0 BCADHN C[C@H]1OCC[C@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000131754972 388351188 /nfs/dbraw/zinc/35/11/88/388351188.db2.gz ZUYBDOPXZASSQF-OUAUKWLOSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H](N[C@@H]1CCO[C@@H]1C)C(=O)NC1CC1 ZINC000226439370 388351356 /nfs/dbraw/zinc/35/13/56/388351356.db2.gz WDEYORPNYHERQD-NQMVMOMDSA-N 0 3 212.293 0.421 20 0 BCADHN COC1(C(=O)N(C)C[C@H]2CCCN(C)C2)CC1 ZINC000648786104 388355080 /nfs/dbraw/zinc/35/50/80/388355080.db2.gz PUTSQDSJHJVYAH-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN C[NH2+][C@H](C)CNC(=O)c1ccccc1[O-] ZINC000234436145 388355127 /nfs/dbraw/zinc/35/51/27/388355127.db2.gz LUDGBKMRLAFFII-MRVPVSSYSA-N 0 3 208.261 0.730 20 0 BCADHN CC(C)NC(=O)CN1CC[C@H](C)[C@@H]1CO ZINC000227195048 388359540 /nfs/dbraw/zinc/35/95/40/388359540.db2.gz PWZXZKKQRFKBEK-UWVGGRQHSA-N 0 3 214.309 0.214 20 0 BCADHN CCN(C(=O)CN1CC[C@H](C)C1)[C@@H]1CCOC1 ZINC000572615801 388361047 /nfs/dbraw/zinc/36/10/47/388361047.db2.gz GOMAAQHDFVUVFN-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]([NH3+])CCC(=O)NCc1ncccc1[O-] ZINC000646452064 388361331 /nfs/dbraw/zinc/36/13/31/388361331.db2.gz VROIGDOFFPSNSC-MRVPVSSYSA-N 0 3 223.276 0.531 20 0 BCADHN CCN(CC)C(=O)CN[C@@H]1C[C@@H](O)C1(C)C ZINC000163417544 388362002 /nfs/dbraw/zinc/36/20/02/388362002.db2.gz CNVFXEULKVLFIH-NXEZZACHSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1nc(C)c(CNC(=O)[C@H]2NCC2(C)C)o1 ZINC000646470573 388363014 /nfs/dbraw/zinc/36/30/14/388363014.db2.gz DQTUBKRUPUMOGK-SNVBAGLBSA-N 0 3 237.303 0.906 20 0 BCADHN Cc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2)nc1 ZINC000261528964 388405239 /nfs/dbraw/zinc/40/52/39/388405239.db2.gz XZSGRUZMGABRHQ-RKDXNWHRSA-N 0 3 221.260 0.051 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@](C)(OC)C1 ZINC000230282756 388366234 /nfs/dbraw/zinc/36/62/34/388366234.db2.gz LELXPHRQROHFDN-MWLCHTKSSA-N 0 3 214.309 0.751 20 0 BCADHN COC[C@H](C)CN1CCNC[C@H]1C(F)F ZINC000309607751 388368343 /nfs/dbraw/zinc/36/83/43/388368343.db2.gz YJOYGKSDVLTLAN-BDAKNGLRSA-N 0 3 222.279 0.808 20 0 BCADHN CC[C@H](C(=O)NC[C@H]1CCOC1)N(C)C ZINC000163866982 388369043 /nfs/dbraw/zinc/36/90/43/388369043.db2.gz ORLGMDPFUFLWNN-NXEZZACHSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCN2)CCO1 ZINC000235438055 388369556 /nfs/dbraw/zinc/36/95/56/388369556.db2.gz WASKCASVUHJIEC-GMTAPVOTSA-N 0 3 226.320 0.812 20 0 BCADHN C[C@H](CO)NCc1c[nH]c2nccnc12 ZINC000290979097 388371564 /nfs/dbraw/zinc/37/15/64/388371564.db2.gz YIXLIWSUXSVBMI-SSDOTTSWSA-N 0 3 206.249 0.428 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000164083193 388373420 /nfs/dbraw/zinc/37/34/20/388373420.db2.gz VSCKKYMOKXNMFS-MLPKBAJKSA-N 0 3 234.365 0.243 20 0 BCADHN COc1nccc(CNC[C@H](C)CCCO)n1 ZINC000294893573 388405511 /nfs/dbraw/zinc/40/55/11/388405511.db2.gz WQONUUILCOKVCN-SNVBAGLBSA-N 0 3 239.319 0.983 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2)CCO1 ZINC000235675838 388374721 /nfs/dbraw/zinc/37/47/21/388374721.db2.gz WASKCASVUHJIEC-GARJFASQSA-N 0 3 226.320 0.812 20 0 BCADHN Cc1n[nH]cc1C(=O)NCCN1CC[C@H](C)C1 ZINC000524720145 388375753 /nfs/dbraw/zinc/37/57/53/388375753.db2.gz ZGSAKPUKDJWKIU-VIFPVBQESA-N 0 3 236.319 0.790 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2cnccn2)C1 ZINC000524721293 388377033 /nfs/dbraw/zinc/37/70/33/388377033.db2.gz KWHRWAFXWGHMNN-JTQLQIEISA-N 0 3 234.303 0.548 20 0 BCADHN Cn1ccnc1CNC[C@@H]1CC[C@H](O)C1 ZINC000236085661 388377447 /nfs/dbraw/zinc/37/74/47/388377447.db2.gz WCXWPNLSVWMRFK-ZJUUUORDSA-N 0 3 209.293 0.671 20 0 BCADHN Cn1cncc1CNC[C@H]1CC[C@H](O)C1 ZINC000236087041 388377583 /nfs/dbraw/zinc/37/75/83/388377583.db2.gz FKGINDCLAKCBEO-ONGXEEELSA-N 0 3 209.293 0.671 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000646534035 388377544 /nfs/dbraw/zinc/37/75/44/388377544.db2.gz JWRGHSJUNSYFLI-QMMMGPOBSA-N 0 3 245.286 0.768 20 0 BCADHN CC(C)C[C@](C)(CN)NC(=O)C(=O)NC1CC1 ZINC000236671441 388381083 /nfs/dbraw/zinc/38/10/83/388381083.db2.gz KBVHOAFNWMRWLS-GFCCVEGCSA-N 0 3 241.335 0.145 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCC(=O)NCC1CC1 ZINC000236675134 388381194 /nfs/dbraw/zinc/38/11/94/388381194.db2.gz KDLHUPQWGVRPDE-JTQLQIEISA-N 0 3 241.335 0.002 20 0 BCADHN CC(=O)c1c(C)[nH]c(C(=O)NCCN)c1C ZINC000236641453 388381744 /nfs/dbraw/zinc/38/17/44/388381744.db2.gz ZHKXXZGTWURBAL-UHFFFAOYSA-N 0 3 223.276 0.523 20 0 BCADHN Cn1cc(CNC[C@H]2CC[C@@H](CO)O2)cn1 ZINC000292519592 388381805 /nfs/dbraw/zinc/38/18/05/388381805.db2.gz DUQNAQMMIISYJO-MNOVXSKESA-N 0 3 225.292 0.050 20 0 BCADHN CC(C)COC[C@@H](O)CNCc1cncn1C ZINC000236626186 388381852 /nfs/dbraw/zinc/38/18/52/388381852.db2.gz KNGZNPOVQYPBEY-LBPRGKRZSA-N 0 3 241.335 0.543 20 0 BCADHN CC(=O)N1CC(N[C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000572855938 388381935 /nfs/dbraw/zinc/38/19/35/388381935.db2.gz SGVBSMOKSDUKPL-GXSJLCMTSA-N 0 3 237.347 0.432 20 0 BCADHN CC(C)N[C@H]1CC(=O)N(CC(F)(F)F)C1=O ZINC000572852735 388382192 /nfs/dbraw/zinc/38/21/92/388382192.db2.gz LDGQZBVFAUNMKV-LURJTMIESA-N 0 3 238.209 0.674 20 0 BCADHN CCN(CC)CC(=O)N1CCN[C@@H](C)C1 ZINC000236838744 388383600 /nfs/dbraw/zinc/38/36/00/388383600.db2.gz MYCTUIVPMILQHC-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)C1(N)CC1 ZINC000236864784 388384912 /nfs/dbraw/zinc/38/49/12/388384912.db2.gz BGJKVYSXDWMZDE-SFYZADRCSA-N 0 3 200.282 0.001 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN1CC[C@H](OC)C1 ZINC000300263492 388385272 /nfs/dbraw/zinc/38/52/72/388385272.db2.gz VIECNKKDKMADAR-TUAOUCFPSA-N 0 3 247.335 0.120 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H](C)CC(=O)OC ZINC000236899684 388385834 /nfs/dbraw/zinc/38/58/34/388385834.db2.gz OWTLFBYMZYXTCY-YUMQZZPRSA-N 0 3 216.281 0.182 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCCC[C@@H]1CC(N)=O ZINC000236903782 388385965 /nfs/dbraw/zinc/38/59/65/388385965.db2.gz HFGNZWVDVAQKKH-NXEZZACHSA-N 0 3 241.335 0.370 20 0 BCADHN O=C1NCC[C@]12CCCN2CCCCCO ZINC000572896432 388386029 /nfs/dbraw/zinc/38/60/29/388386029.db2.gz QVQAYQBQIJKKTR-GFCCVEGCSA-N 0 3 226.320 0.504 20 0 BCADHN COC(=O)[C@@](C)(O)CN[C@H](C)c1cccnc1 ZINC000228637211 388386737 /nfs/dbraw/zinc/38/67/37/388386737.db2.gz KJDLUJLNACKSSX-SKDRFNHKSA-N 0 3 238.287 0.656 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCCC(=O)N(C)C ZINC000236966947 388387177 /nfs/dbraw/zinc/38/71/77/388387177.db2.gz DGVLWOZVQCBFRS-MWLCHTKSSA-N 0 3 243.351 0.344 20 0 BCADHN CN(C)CCNC(=O)c1cc2ncccn2n1 ZINC000646578638 388387378 /nfs/dbraw/zinc/38/73/78/388387378.db2.gz XANIDTSKFADSLV-UHFFFAOYSA-N 0 3 233.275 0.021 20 0 BCADHN C[C@H](CNCc1cnnn1C)Cn1cccn1 ZINC000572916321 388388034 /nfs/dbraw/zinc/38/80/34/388388034.db2.gz IRFGBDFMTAQFDI-SNVBAGLBSA-N 0 3 234.307 0.438 20 0 BCADHN CC[C@@H](C)CS(=O)(=O)NCCNC ZINC000237016922 388388470 /nfs/dbraw/zinc/38/84/70/388388470.db2.gz SUXBDCJEGBMYQT-MRVPVSSYSA-N 0 3 208.327 0.171 20 0 BCADHN CN(C[C@H]1CCOC1)C(=O)[C@H]1CCCCN1 ZINC000237240734 388391595 /nfs/dbraw/zinc/39/15/95/388391595.db2.gz YVJJCQDXAMMPAR-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CNCC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C ZINC000237266011 388391838 /nfs/dbraw/zinc/39/18/38/388391838.db2.gz GNTIQIQGHOIWJM-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CNCC(=O)NCc1cccc(C(=O)OC)c1 ZINC000237241280 388391972 /nfs/dbraw/zinc/39/19/72/388391972.db2.gz OUVUKCLGIZFQIT-UHFFFAOYSA-N 0 3 236.271 0.309 20 0 BCADHN CN1CCC(NC(=O)Cc2cncc(O)c2)CC1 ZINC000646600553 388393433 /nfs/dbraw/zinc/39/34/33/388393433.db2.gz GJOAZSZWEJBKGR-UHFFFAOYSA-N 0 3 249.314 0.540 20 0 BCADHN C[NH+]1CCC(NC(=O)Cc2cncc([O-])c2)CC1 ZINC000646600553 388393434 /nfs/dbraw/zinc/39/34/34/388393434.db2.gz GJOAZSZWEJBKGR-UHFFFAOYSA-N 0 3 249.314 0.540 20 0 BCADHN CCN(CC[NH3+])Cc1nc(C)ccc1[O-] ZINC000300785959 388393834 /nfs/dbraw/zinc/39/38/34/388393834.db2.gz GNXMMLRECQOTSS-UHFFFAOYSA-N 0 3 209.293 0.876 20 0 BCADHN C[C@H](N)C(=O)Nc1nnc2ccccn21 ZINC000237408397 388395010 /nfs/dbraw/zinc/39/50/10/388395010.db2.gz JRXFDDAKWNQMGB-LURJTMIESA-N 0 3 205.221 0.015 20 0 BCADHN Cc1cc(C(=O)NCCN2CCCC2)n(C)n1 ZINC000193598331 388395128 /nfs/dbraw/zinc/39/51/28/388395128.db2.gz PMUFOSSDXUBAGH-UHFFFAOYSA-N 0 3 236.319 0.554 20 0 BCADHN CC(C)[C@@H](N)c1cn(CC[C@@H](C)O)nn1 ZINC000300962957 388396085 /nfs/dbraw/zinc/39/60/85/388396085.db2.gz REKXFTXJKONBKT-PSASIEDQSA-N 0 3 212.297 0.705 20 0 BCADHN CO[C@@H](C)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000300997996 388397340 /nfs/dbraw/zinc/39/73/40/388397340.db2.gz WQCXUHHLLZHIQU-WPRPVWTQSA-N 0 3 212.297 0.969 20 0 BCADHN C[C@H]1COCCN1C(=O)CNC[C@H]1CCCO1 ZINC000237634178 388397970 /nfs/dbraw/zinc/39/79/70/388397970.db2.gz SILZTCJYSCSNQW-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN Cc1ccnc(NC(=O)[C@@H]2C[C@H](O)CN2)c1 ZINC000237779169 388398127 /nfs/dbraw/zinc/39/81/27/388398127.db2.gz AMNSVLKSIWXPTG-IUCAKERBSA-N 0 3 221.260 0.051 20 0 BCADHN CC[C@H](N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C(N)=O ZINC000528750599 388403088 /nfs/dbraw/zinc/40/30/88/388403088.db2.gz BBXKNUCUUPUEOZ-MBGOZMDMSA-N 0 3 214.309 0.652 20 0 BCADHN CN(C)CCN(C)C(=O)/C=C/C1CCOCC1 ZINC000492071723 388333510 /nfs/dbraw/zinc/33/35/10/388333510.db2.gz GPUMMZGGEPHADY-SNAWJCMRSA-N 0 3 240.347 0.989 20 0 BCADHN CN(C)C/C=C\C(=O)NCc1ccc[nH]1 ZINC000492071756 388333586 /nfs/dbraw/zinc/33/35/86/388333586.db2.gz GVTSXOYTWKQUDN-XQRVVYSFSA-N 0 3 207.277 0.749 20 0 BCADHN CN(C)CCN(C)C(=O)/C=C\C1CCOCC1 ZINC000492071722 388333600 /nfs/dbraw/zinc/33/36/00/388333600.db2.gz GPUMMZGGEPHADY-PLNGDYQASA-N 0 3 240.347 0.989 20 0 BCADHN CSCCN(C)C(=O)/C=C/CN(C)C ZINC000492112372 388335407 /nfs/dbraw/zinc/33/54/07/388335407.db2.gz TXGKPXSPPUFWQI-AATRIKPKSA-N 0 3 216.350 0.926 20 0 BCADHN CCC[C@H](O)CNC(=O)/C=C\CN(C)C ZINC000492139573 388336445 /nfs/dbraw/zinc/33/64/45/388336445.db2.gz WGOOXSZAKGKMFW-BXKUYDPTSA-N 0 3 214.309 0.381 20 0 BCADHN Cc1ccn(C)c(=O)c1NC(=O)/C=C\CN(C)C ZINC000492147262 388336677 /nfs/dbraw/zinc/33/66/77/388336677.db2.gz ZQZVARQYAHCHFG-WAYWQWQTSA-N 0 3 249.314 0.750 20 0 BCADHN CC[C@H](CCO)CNC(=O)/C=C\CN(C)C ZINC000492169557 388337262 /nfs/dbraw/zinc/33/72/62/388337262.db2.gz MQSSQEXDKNAWTR-ISALQUGTSA-N 0 3 228.336 0.629 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@H]1COC(C)(C)O1 ZINC000492184720 388337790 /nfs/dbraw/zinc/33/77/90/388337790.db2.gz VRJZCDVFCSCFDW-OMMCCPJFSA-N 0 3 242.319 0.372 20 0 BCADHN Cc1cc(NC(=O)/C=C/CN(C)C)cn(C)c1=O ZINC000492196512 388338094 /nfs/dbraw/zinc/33/80/94/388338094.db2.gz BOGGRBSYGVZSDV-AATRIKPKSA-N 0 3 249.314 0.750 20 0 BCADHN COC[C@H](NC(=O)/C=C\CN(C)C)C1CC1 ZINC000492204137 388338323 /nfs/dbraw/zinc/33/83/23/388338323.db2.gz INMGNCBRSPNJHM-WYGGZMRJSA-N 0 3 226.320 0.645 20 0 BCADHN C[C@H](O)[C@@H]1CCCN(C(=O)/C=C/CN(C)C)C1 ZINC000492217506 388338542 /nfs/dbraw/zinc/33/85/42/388338542.db2.gz FCYCPLDQMKRXJZ-GAEWNOSXSA-N 0 3 240.347 0.724 20 0 BCADHN CN(C)C/C=C\C(=O)N1CC[C@H](CCO)C1 ZINC000492246019 388339243 /nfs/dbraw/zinc/33/92/43/388339243.db2.gz CGTHUCXRSZSRRV-DLRQAJBASA-N 0 3 226.320 0.335 20 0 BCADHN CC[C@H](CCO)NC(=O)/C=C\CN(C)C ZINC000492260689 388339687 /nfs/dbraw/zinc/33/96/87/388339687.db2.gz CGWAWRBXDRMBHG-WWQCOOJYSA-N 0 3 214.309 0.381 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CCC(=O)N(C)C2=O)[C@H](C)O1 ZINC000333224456 388445255 /nfs/dbraw/zinc/44/52/55/388445255.db2.gz SNVIBTKOWLJIGZ-RGOKHQFPSA-N 0 3 240.303 0.289 20 0 BCADHN CN(C)CC(C)(C)NCC(=O)NCC1CC1 ZINC000308631391 388445729 /nfs/dbraw/zinc/44/57/29/388445729.db2.gz LSWRABYPKWSCBX-UHFFFAOYSA-N 0 3 227.352 0.442 20 0 BCADHN Cc1cc(CN)cc(NC(=O)[C@H]2CCC(=O)N2)c1 ZINC000322750836 388445875 /nfs/dbraw/zinc/44/58/75/388445875.db2.gz XFYWETJYXNNUAN-LLVKDONJSA-N 0 3 247.298 0.671 20 0 BCADHN CCCNC(=O)CNC(C)(C)CN(C)C ZINC000308631479 388446447 /nfs/dbraw/zinc/44/64/47/388446447.db2.gz MZSZQGOIRIQNLG-UHFFFAOYSA-N 0 3 215.341 0.442 20 0 BCADHN Cc1cc(CN)cc(NC(=O)Cn2cnnn2)c1 ZINC000322926179 388450517 /nfs/dbraw/zinc/45/05/17/388450517.db2.gz NFRBTAUKMXXDHI-UHFFFAOYSA-N 0 3 246.274 0.079 20 0 BCADHN CCCN(C)CC(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000646743219 388451178 /nfs/dbraw/zinc/45/11/78/388451178.db2.gz JWEGBBIWNUMJQG-VHSXEESVSA-N 0 3 212.293 0.328 20 0 BCADHN C[C@H]1CN(C[C@H](O)CC2(O)CCC2)CCCO1 ZINC000528367527 388451519 /nfs/dbraw/zinc/45/15/19/388451519.db2.gz JINCDWUEPKDHFW-NWDGAFQWSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000646744192 388453065 /nfs/dbraw/zinc/45/30/65/388453065.db2.gz DYWPFBOFZPQLIT-WHOHXGKFSA-N 0 3 238.331 0.859 20 0 BCADHN C[C@H]1[C@@H](CO)CCN1CC(=O)N1CCCC1 ZINC000335711329 388454463 /nfs/dbraw/zinc/45/44/63/388454463.db2.gz JNCHIPLDBXDMHZ-WDEREUQCSA-N 0 3 226.320 0.312 20 0 BCADHN CN1CCC(CC(=O)N2CCO[C@H]3C[C@H]32)CC1 ZINC000646749479 388455348 /nfs/dbraw/zinc/45/53/48/388455348.db2.gz CAMNGLDSIVXVHM-NEPJUHHUSA-N 0 3 238.331 0.718 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@@H](O)C(C)(C)C1 ZINC000336250878 388456113 /nfs/dbraw/zinc/45/61/13/388456113.db2.gz SEZDOCNODYXAFQ-RKDXNWHRSA-N 0 3 214.309 0.166 20 0 BCADHN COC[C@H]1CCN1C[C@H](O)CSC ZINC000339283492 388481025 /nfs/dbraw/zinc/48/10/25/388481025.db2.gz CGNOSEFWKOFRAC-BDAKNGLRSA-N 0 3 205.323 0.431 20 0 BCADHN C[C@@H](O)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000527291448 388463680 /nfs/dbraw/zinc/46/36/80/388463680.db2.gz GDPLSTIRPJBFTJ-NXEZZACHSA-N 0 3 214.309 0.310 20 0 BCADHN Cn1nccc1CNC[C@](C)(O)C1CC1 ZINC000336704086 388465507 /nfs/dbraw/zinc/46/55/07/388465507.db2.gz QLGBHYNMMOSKHU-NSHDSACASA-N 0 3 209.293 0.671 20 0 BCADHN COC[C@@H](C)N(C)C[C@@H]1COCCO1 ZINC000649249305 388468737 /nfs/dbraw/zinc/46/87/37/388468737.db2.gz KAJDFDRZNCMVPX-NXEZZACHSA-N 0 3 203.282 0.369 20 0 BCADHN CNC(=O)[C@@H](NC[C@@H]1CC[C@@H](C)O1)C(C)C ZINC000309961782 388469554 /nfs/dbraw/zinc/46/95/54/388469554.db2.gz LPNYPMQTVWAYBE-VWYCJHECSA-N 0 3 228.336 0.914 20 0 BCADHN C[C@H](N[C@H]1CCC(=O)N(C)C1=O)[C@H]1CCCO1 ZINC000336732582 388471235 /nfs/dbraw/zinc/47/12/35/388471235.db2.gz ZSOKRZZKAPJYDO-LPEHRKFASA-N 0 3 240.303 0.291 20 0 BCADHN CNC(=O)[C@H]1CCCN1C[C@@H]1CCCCO1 ZINC000193973042 388474146 /nfs/dbraw/zinc/47/41/46/388474146.db2.gz PLIVJBQINMKWRU-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](O)[C@@H](C)NCc1nnc(-c2ccncc2)[nH]1 ZINC000516454442 388477569 /nfs/dbraw/zinc/47/75/69/388477569.db2.gz QANNVWYOMAZLPL-RKDXNWHRSA-N 0 3 247.302 0.726 20 0 BCADHN CN1CCN(CCc2cn[nH]c2)CC1(C)C ZINC000575999153 388478223 /nfs/dbraw/zinc/47/82/23/388478223.db2.gz AKGUZALIYQDQDK-UHFFFAOYSA-N 0 3 222.336 0.978 20 0 BCADHN CN[C@@H](C)C(=O)NCc1nc2ccccc2n1C ZINC000573020271 388407908 /nfs/dbraw/zinc/40/79/08/388407908.db2.gz GCOLSUJGLJPNKC-VIFPVBQESA-N 0 3 246.314 0.797 20 0 BCADHN COC(C)(C)C(=O)NCCN1CC[C@H](C)C1 ZINC000524774454 388409134 /nfs/dbraw/zinc/40/91/34/388409134.db2.gz JCSVODBTGNZGGK-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CCN(C)CCNCc1ccnc(OC)n1 ZINC000295245289 388410006 /nfs/dbraw/zinc/41/00/06/388410006.db2.gz TVWGUEABMCVPGJ-UHFFFAOYSA-N 0 3 224.308 0.527 20 0 BCADHN CCN(CC)CC(=O)N(C)C[C@H]1CCOC1 ZINC000177254001 388479033 /nfs/dbraw/zinc/47/90/33/388479033.db2.gz MRQXWHAMIWZQIK-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CC[C@@H]1CN(Cc2cccnc2N)C[C@@H]1O ZINC000295894654 388416224 /nfs/dbraw/zinc/41/62/24/388416224.db2.gz BYTJYDHADDBMPH-KOLCDFICSA-N 0 3 221.304 0.867 20 0 BCADHN COc1cccnc1NC(=O)COC1CNC1 ZINC000573115795 388420810 /nfs/dbraw/zinc/42/08/10/388420810.db2.gz PFAVAAKXPODQDH-UHFFFAOYSA-N 0 3 237.259 0.017 20 0 BCADHN C[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000261538840 135176835 /nfs/dbraw/zinc/17/68/35/135176835.db2.gz ZOBNRUBXYGUEJJ-NTSWFWBYSA-N 0 3 210.199 0.744 20 0 BCADHN OCCOCCCNCc1ccns1 ZINC000404466425 388421366 /nfs/dbraw/zinc/42/13/66/388421366.db2.gz TUBNWONAGOKSLA-UHFFFAOYSA-N 0 3 216.306 0.632 20 0 BCADHN COc1nccc(CN[C@H](CO)CC(C)C)n1 ZINC000296397848 388422909 /nfs/dbraw/zinc/42/29/09/388422909.db2.gz LGQNJCJVTAGZNJ-NSHDSACASA-N 0 3 239.319 0.982 20 0 BCADHN CC(C)N(C)CC(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000166302328 388424984 /nfs/dbraw/zinc/42/49/84/388424984.db2.gz HAVPINBVTHMABH-QWRGUYRKSA-N 0 3 228.336 0.962 20 0 BCADHN CN(Cc1cc[nH]n1)C(=O)C1(N)CCC1 ZINC000400314226 388425093 /nfs/dbraw/zinc/42/50/93/388425093.db2.gz BRWRURDEXYMTTE-UHFFFAOYSA-N 0 3 208.265 0.250 20 0 BCADHN CC(C)N(C)CC(=O)N1CCO[C@H](C)[C@H]1C ZINC000166302446 388425371 /nfs/dbraw/zinc/42/53/71/388425371.db2.gz HAVPINBVTHMABH-GHMZBOCLSA-N 0 3 228.336 0.962 20 0 BCADHN O=C(Cc1ccon1)N[C@@H]1CCN(C2CC2)C1 ZINC000525313420 388426050 /nfs/dbraw/zinc/42/60/50/388426050.db2.gz KJJIEXYVUFYXNS-SNVBAGLBSA-N 0 3 235.287 0.570 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CC=CCC2)C[C@H](C(N)=O)O1 ZINC000245683323 388427713 /nfs/dbraw/zinc/42/77/13/388427713.db2.gz ABZRFSJHDVBKBH-IJLUTSLNSA-N 0 3 238.331 0.917 20 0 BCADHN C[C@@H](NCCCNS(C)(=O)=O)c1ccoc1 ZINC000166536507 388428874 /nfs/dbraw/zinc/42/88/74/388428874.db2.gz OSIJJDITHGWPAW-SECBINFHSA-N 0 3 246.332 0.870 20 0 BCADHN Cc1nnc(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2)s1 ZINC000378660159 388479910 /nfs/dbraw/zinc/47/99/10/388479910.db2.gz AIKAZJRQSDHCDN-QYNIQEEDSA-N 0 3 224.289 0.535 20 0 BCADHN CN(C)Cc1cccc(C(=O)NCCC(N)=O)c1 ZINC000175450286 388432985 /nfs/dbraw/zinc/43/29/85/388432985.db2.gz UESWJGCKOJCVED-UHFFFAOYSA-N 0 3 249.314 0.353 20 0 BCADHN COC(=O)NCCNC[C@](C)(O)C(F)(F)F ZINC000308344692 388436175 /nfs/dbraw/zinc/43/61/75/388436175.db2.gz UFWKARXPCHURRH-ZETCQYMHSA-N 0 3 244.213 0.245 20 0 BCADHN CNC(=O)CN[C@H]1C[C@H](OC)C12CCC2 ZINC000308343719 388436478 /nfs/dbraw/zinc/43/64/78/388436478.db2.gz LHRIGLRSFIEBJZ-IUCAKERBSA-N 0 3 212.293 0.280 20 0 BCADHN CC(C)[C@@H]1CN(CC[C@H]2CCNC2=O)CCO1 ZINC000573263343 388437426 /nfs/dbraw/zinc/43/74/26/388437426.db2.gz WJKOMTVJTWFKGO-NEPJUHHUSA-N 0 3 240.347 0.869 20 0 BCADHN O=C([C@@H]1CCCS1)N1CCCNCC1 ZINC000070544163 388437930 /nfs/dbraw/zinc/43/79/30/388437930.db2.gz DBKHVBJTCOJTHW-VIFPVBQESA-N 0 3 214.334 0.704 20 0 BCADHN C[C@H](N[C@@H]1CCOC1)C(=O)NC(C)(C)C ZINC000087786077 135171264 /nfs/dbraw/zinc/17/12/64/135171264.db2.gz JQSAAPZGBZQACC-DTWKUNHWSA-N 0 3 214.309 0.668 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC2(O)CCC2)[C@H]1C ZINC000528513001 388538261 /nfs/dbraw/zinc/53/82/61/388538261.db2.gz OTATXKZXNRDOHY-VWYCJHECSA-N 0 3 213.321 0.993 20 0 BCADHN CC1(C)CC(CN2CCOC[C@H]2CC(N)=O)C1 ZINC000528515103 388539607 /nfs/dbraw/zinc/53/96/07/388539607.db2.gz DUMGCAYRHXZRET-LLVKDONJSA-N 0 3 240.347 0.999 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N(C)Cc1cc[nH]n1 ZINC000353666296 388542650 /nfs/dbraw/zinc/54/26/50/388542650.db2.gz ZNFZOWPFVHHYRW-SNVBAGLBSA-N 0 3 224.308 0.742 20 0 BCADHN CC(=O)NCCN(C)CCOCC(F)(F)F ZINC000517234150 388543331 /nfs/dbraw/zinc/54/33/31/388543331.db2.gz VMHPUINUSLZGNY-UHFFFAOYSA-N 0 3 242.241 0.633 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@H](O)CC1(O)CCC1 ZINC000528526012 388543471 /nfs/dbraw/zinc/54/34/71/388543471.db2.gz HXCJKGCFUXFHAU-IJLUTSLNSA-N 0 3 243.347 0.498 20 0 BCADHN C[C@@H](O)CCCN1CCSC[C@H]1CO ZINC000354728706 388544775 /nfs/dbraw/zinc/54/47/75/388544775.db2.gz IHLLXXKVIMPFRC-NXEZZACHSA-N 0 3 219.350 0.557 20 0 BCADHN CC(C)[C@@H](O)CN(C)CCN1CCCC1=O ZINC000517273184 388545899 /nfs/dbraw/zinc/54/58/99/388545899.db2.gz IWMOJIRXMXQUPR-NSHDSACASA-N 0 3 228.336 0.558 20 0 BCADHN CN1CCC[C@H](N2C[C@H](O)C(C)(C)C2)C1=O ZINC000517278507 388547061 /nfs/dbraw/zinc/54/70/61/388547061.db2.gz HPKDVVFCQFBRNU-UWVGGRQHSA-N 0 3 226.320 0.310 20 0 BCADHN CN(CCc1cnccn1)C(=O)CNC1CC1 ZINC000517358602 388548029 /nfs/dbraw/zinc/54/80/29/388548029.db2.gz JPYDOSNXSUGAKG-UHFFFAOYSA-N 0 3 234.303 0.230 20 0 BCADHN CC(C)(C)OC(=O)NCCN1CC[C@](C)(O)C1 ZINC000177516038 388484828 /nfs/dbraw/zinc/48/48/28/388484828.db2.gz XOVQUPIFMSXKQR-LBPRGKRZSA-N 0 3 244.335 0.968 20 0 BCADHN O=C1NCCCC[C@H]1N1CCC[C@H](O)CC1 ZINC000339784807 388485940 /nfs/dbraw/zinc/48/59/40/388485940.db2.gz RUALQVGBSWFAOG-WDEREUQCSA-N 0 3 226.320 0.502 20 0 BCADHN CC(C)[C@@H]1CN([C@@H]2COC[C@@H]2O)CCCO1 ZINC000339811736 388487437 /nfs/dbraw/zinc/48/74/37/388487437.db2.gz LAJXPSSJNOBBEL-WOPDTQHZSA-N 0 3 229.320 0.493 20 0 BCADHN CC1(C)CNCCN1C(=O)Cc1cc[nH]n1 ZINC000649273399 388487973 /nfs/dbraw/zinc/48/79/73/388487973.db2.gz IEZVOQYWXWWJIV-UHFFFAOYSA-N 0 3 222.292 0.163 20 0 BCADHN CC1(C)CNCCN1C(=O)Cc1ccn[nH]1 ZINC000649273399 388487975 /nfs/dbraw/zinc/48/79/75/388487975.db2.gz IEZVOQYWXWWJIV-UHFFFAOYSA-N 0 3 222.292 0.163 20 0 BCADHN CC(C)[C@@H]1CN([C@H]2COC[C@@H]2O)CCCO1 ZINC000339811733 388487977 /nfs/dbraw/zinc/48/79/77/388487977.db2.gz LAJXPSSJNOBBEL-SRVKXCTJSA-N 0 3 229.320 0.493 20 0 BCADHN CO[C@@H](CN[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000378730180 388489380 /nfs/dbraw/zinc/48/93/80/388489380.db2.gz CVDBSJFGIAVCDK-ZJUUUORDSA-N 0 3 233.333 0.188 20 0 BCADHN COC(=O)CNC(=O)[C@H](C)N(C)CCC1CC1 ZINC000135303909 388490097 /nfs/dbraw/zinc/49/00/97/388490097.db2.gz MZMXNTNVXVSODY-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN CCN(CC)CC(=O)N1CCC(C)(O)CC1 ZINC000177774216 388490672 /nfs/dbraw/zinc/49/06/72/388490672.db2.gz PBFMYRCFZOBGPM-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN C[C@@H](F)CCN[C@H]1CCCS(=O)(=O)C1 ZINC000340463478 388490809 /nfs/dbraw/zinc/49/08/09/388490809.db2.gz QQFDBQJOVVGBTH-BDAKNGLRSA-N 0 3 223.313 0.901 20 0 BCADHN CN1CCC[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC000547868044 388493715 /nfs/dbraw/zinc/49/37/15/388493715.db2.gz TVFQDAWNPZUUHK-JTQLQIEISA-N 0 3 241.335 0.100 20 0 BCADHN CCCCNC(=O)[C@H](C)N1C[C@H](O)[C@@H](CC)C1 ZINC000341021067 388494097 /nfs/dbraw/zinc/49/40/97/388494097.db2.gz ABMHUQUMIVVKOG-SRVKXCTJSA-N 0 3 242.363 0.994 20 0 BCADHN CCN(C)CCNC(=O)Cc1cncn1C ZINC000547881530 388494205 /nfs/dbraw/zinc/49/42/05/388494205.db2.gz IBUORUMXRDLAPZ-UHFFFAOYSA-N 0 3 224.308 0.031 20 0 BCADHN C[C@@H]1C[C@H](C)CN1C(=O)COC1CNC1 ZINC000261554463 135194725 /nfs/dbraw/zinc/19/47/25/135194725.db2.gz UFJCWULUXSJQRF-DTWKUNHWSA-N 0 3 212.293 0.232 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](C)COC)N(C)C ZINC000178250494 388497135 /nfs/dbraw/zinc/49/71/35/388497135.db2.gz MAKWUUYENXIXPG-ZJUUUORDSA-N 0 3 216.325 0.725 20 0 BCADHN CCCCC(=O)NCC1(O)CCN(C)CC1 ZINC000343550432 388500825 /nfs/dbraw/zinc/50/08/25/388500825.db2.gz HWIVBLOTNUAAPJ-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN O[C@H]1CN(CCCCC2CCOCC2)C[C@@H]1O ZINC000302292748 388502975 /nfs/dbraw/zinc/50/29/75/388502975.db2.gz XUTLBFUBPBDZNG-STQMWFEESA-N 0 3 243.347 0.621 20 0 BCADHN CN(C)C1(CNC(=O)NCC(F)(F)F)CC1 ZINC000397838101 388504364 /nfs/dbraw/zinc/50/43/64/388504364.db2.gz PIVVYUVFYHEPQO-UHFFFAOYSA-N 0 3 239.241 0.942 20 0 BCADHN O[C@H]1CN(CCOC[C@H]2CCCO2)CC12CC2 ZINC000548626388 388549221 /nfs/dbraw/zinc/54/92/21/388549221.db2.gz NXZSJMYATOSHSP-NEPJUHHUSA-N 0 3 241.331 0.639 20 0 BCADHN Cc1cc(NCC2(N(C)C)CC2)n2ncnc2n1 ZINC000397980255 388513147 /nfs/dbraw/zinc/51/31/47/388513147.db2.gz RDSSIOVHDDKCCJ-UHFFFAOYSA-N 0 3 246.318 0.939 20 0 BCADHN CN(C)CCOCCN[C@@H]1CCn2ccnc21 ZINC000345358268 388514125 /nfs/dbraw/zinc/51/41/25/388514125.db2.gz WQYTYFDEWQEGLI-LLVKDONJSA-N 0 3 238.335 0.496 20 0 BCADHN CC1(C)[C@H](NCC(=O)NCC2CCC2)C[C@@H]1O ZINC000564341804 388515546 /nfs/dbraw/zinc/51/55/46/388515546.db2.gz DAWBSKGDISATGW-MNOVXSKESA-N 0 3 240.347 0.652 20 0 BCADHN CCC[C@H](CNCC(=O)NCC1CC1)OC ZINC000378819827 388516183 /nfs/dbraw/zinc/51/61/83/388516183.db2.gz MDPDVRDJFCPVNT-LLVKDONJSA-N 0 3 228.336 0.917 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)[C@@H](C)O ZINC000648955613 388517158 /nfs/dbraw/zinc/51/71/58/388517158.db2.gz LAQIPKGQNLVWLE-NXEZZACHSA-N 0 3 214.309 0.358 20 0 BCADHN CC[C@@]1(O)CCN([C@@H]2CCCN(C)C2=O)C1 ZINC000548629785 388549738 /nfs/dbraw/zinc/54/97/38/388549738.db2.gz UPKUSXXBUQREBD-ZYHUDNBSSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@H]1CCN(C(=O)COC2CNC2)[C@H]1C ZINC000261540200 135179527 /nfs/dbraw/zinc/17/95/27/135179527.db2.gz DUCNLMZHVIMZKM-IUCAKERBSA-N 0 3 212.293 0.232 20 0 BCADHN CCc1ncncc1C(=O)NCCN(C)C ZINC000516832630 388519077 /nfs/dbraw/zinc/51/90/77/388519077.db2.gz QJFKREANXLSSJE-UHFFFAOYSA-N 0 3 222.292 0.330 20 0 BCADHN CC[C@@H](CCO)CNC(=O)[C@H](C)NC ZINC000087369825 388519231 /nfs/dbraw/zinc/51/92/31/388519231.db2.gz ZNGBUFDTGKRKMB-IUCAKERBSA-N 0 3 202.298 0.119 20 0 BCADHN C/C=C/C=C/C(=O)N1CCN(C)C[C@@H]1CN ZINC000087613490 388521171 /nfs/dbraw/zinc/52/11/71/388521171.db2.gz DGJPTZDJALYJEB-KXGOJYIESA-N 0 3 223.320 0.220 20 0 BCADHN CCN(CCNC(=O)C(C)(C)CO)C1CC1 ZINC000548194070 388521204 /nfs/dbraw/zinc/52/12/04/388521204.db2.gz KESDDTNVDNTOBV-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN CCO[C@H]1COCC[C@@H]1NCC(=O)N1CCC1 ZINC000548211601 388522444 /nfs/dbraw/zinc/52/24/44/388522444.db2.gz XFQHBRWTYFNMEM-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN CC[C@](C)(CO)C(=O)NC[C@H]1CCCN1C ZINC000520836204 388525114 /nfs/dbraw/zinc/52/51/14/388525114.db2.gz IYNMLBSIKKYBPC-ZYHUDNBSSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](COC)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000348154306 388525403 /nfs/dbraw/zinc/52/54/03/388525403.db2.gz AOQFELMBZPIPPN-IVZWLZJFSA-N 0 3 235.349 0.434 20 0 BCADHN CSC1(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)CC1 ZINC000348209903 388526428 /nfs/dbraw/zinc/52/64/28/388526428.db2.gz KOQYFLRGLVWXFD-DTWKUNHWSA-N 0 3 249.401 0.905 20 0 BCADHN CCOC[C@H](C)N[C@@H]1CS(=O)(=O)C[C@H]1C ZINC000348180276 388526909 /nfs/dbraw/zinc/52/69/09/388526909.db2.gz HKTMLRBSGNAOLC-KXUCPTDWSA-N 0 3 235.349 0.434 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)C2)CCN1C ZINC000516971612 388529905 /nfs/dbraw/zinc/52/99/05/388529905.db2.gz FTTUOXKRIHRANO-GMTAPVOTSA-N 0 3 238.331 0.955 20 0 BCADHN C[C@@H](O)CCN(CC(N)=O)C1CCCC1 ZINC000649285453 388535360 /nfs/dbraw/zinc/53/53/60/388535360.db2.gz CFWBUXZBYQOZPT-SECBINFHSA-N 0 3 214.309 0.487 20 0 BCADHN CC(C)(C)OC(=O)NCCN[C@@H]1CCOC1 ZINC000088697200 388536199 /nfs/dbraw/zinc/53/61/99/388536199.db2.gz YEUXGUMMOBDVKE-SECBINFHSA-N 0 3 230.308 0.890 20 0 BCADHN COC(=O)CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000082796483 388587926 /nfs/dbraw/zinc/58/79/26/388587926.db2.gz OUCMYKRKLOADSI-LLVKDONJSA-N 0 3 248.282 0.163 20 0 BCADHN CN(C[C@@H]1CCCC[C@H]1O)[C@H]1CCN(C)C1=O ZINC000245563531 388590056 /nfs/dbraw/zinc/59/00/56/388590056.db2.gz YNIKKVSLEOWVLS-SDDRHHMPSA-N 0 3 240.347 0.700 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)c2ccc[nH]c2=O)C1 ZINC000170867707 388590123 /nfs/dbraw/zinc/59/01/23/388590123.db2.gz HBZOCBRYBCJRTQ-VIFPVBQESA-N 0 3 235.287 0.563 20 0 BCADHN CC(C)(N)C(=O)NCCN1Cc2ccccc2C1 ZINC000649306503 388591436 /nfs/dbraw/zinc/59/14/36/388591436.db2.gz VVYGWENBQUPJHG-UHFFFAOYSA-N 0 3 247.342 0.856 20 0 BCADHN NC1(C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000649306363 388592566 /nfs/dbraw/zinc/59/25/66/388592566.db2.gz NIEPFYFUZOWHCY-UHFFFAOYSA-N 0 3 245.326 0.610 20 0 BCADHN Cc1[nH]cnc1CC(=O)NCC12CC(C1)CO2 ZINC000529872908 388595154 /nfs/dbraw/zinc/59/51/54/388595154.db2.gz RDTSRPZAIATYLL-UHFFFAOYSA-N 0 3 235.287 0.556 20 0 BCADHN COC[C@@H]1CCCN([C@H]2CCNC2=O)C1 ZINC000245675166 388596903 /nfs/dbraw/zinc/59/69/03/388596903.db2.gz GPVHYWVEYXDXAK-ZJUUUORDSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H]1CN(C(=O)NCCN(C)C)C[C@H](C)O1 ZINC000253462324 388597167 /nfs/dbraw/zinc/59/71/67/388597167.db2.gz UIRRQXJRZLHLSV-AOOOYVTPSA-N 0 3 229.324 0.367 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCc2cncnc2)C1 ZINC000529932859 388599396 /nfs/dbraw/zinc/59/93/96/388599396.db2.gz XFFZRDFMPXYIRC-LLVKDONJSA-N 0 3 248.330 0.477 20 0 BCADHN O=C(Nc1ccc[nH]c1=O)[C@@H]1CCCCN1 ZINC000649314074 388601677 /nfs/dbraw/zinc/60/16/77/388601677.db2.gz JCDWALFXNJAXNW-QMMMGPOBSA-N 0 3 221.260 0.868 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000186805527 388604033 /nfs/dbraw/zinc/60/40/33/388604033.db2.gz RLKUFRXYCQBMLY-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H](NCC(=O)N(C)C)[C@H]1CCCCO1 ZINC000379269037 388604873 /nfs/dbraw/zinc/60/48/73/388604873.db2.gz TYUWLZQQMMEAQQ-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530028398 388605402 /nfs/dbraw/zinc/60/54/02/388605402.db2.gz PHDKSQMRXNHNJF-MWLCHTKSSA-N 0 3 226.320 0.500 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCCOC(C)(C)C1 ZINC000649315997 388605867 /nfs/dbraw/zinc/60/58/67/388605867.db2.gz JZMAPVDTUUSGLC-GFCCVEGCSA-N 0 3 229.320 0.827 20 0 BCADHN CS(=O)(=O)C1CCN(C2CCCCC2)C1=O ZINC000530111069 388609875 /nfs/dbraw/zinc/60/98/75/388609875.db2.gz UMQSIECQLPYCBD-SNVBAGLBSA-N 0 3 245.344 0.965 20 0 BCADHN CCC[C@H](C)N1CCO[C@H](C(N)=O)C1 ZINC000187666868 388610389 /nfs/dbraw/zinc/61/03/89/388610389.db2.gz HRCUDUOXPZPNTN-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CCC(n2ccnc2)CC1 ZINC000550678756 388613883 /nfs/dbraw/zinc/61/38/83/388613883.db2.gz ROVZBKRVOZISBQ-NWDGAFQWSA-N 0 3 237.303 0.280 20 0 BCADHN OC[C@@H]1CN(C/C=C\Cl)C[C@H]1CO ZINC000528605589 388551718 /nfs/dbraw/zinc/55/17/18/388551718.db2.gz LXZDMSGFQXTRRI-FXFPHERDSA-N 0 3 205.685 0.272 20 0 BCADHN CN(CCNC(=O)C1CC(=O)C1)C1CCCC1 ZINC000136945315 388551748 /nfs/dbraw/zinc/55/17/48/388551748.db2.gz HELMLRORNGKWGV-UHFFFAOYSA-N 0 3 238.331 0.956 20 0 BCADHN COc1ncc(CNCCC(N)=O)cc1Cl ZINC000517556005 388553388 /nfs/dbraw/zinc/55/33/88/388553388.db2.gz BIMGPALRGFAWQT-UHFFFAOYSA-N 0 3 243.694 0.709 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)C(C)(C)N ZINC000528663716 388556243 /nfs/dbraw/zinc/55/62/43/388556243.db2.gz UILKODSTEQIBRS-XAVMHZPKSA-N 0 3 214.309 0.652 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000528663800 388556537 /nfs/dbraw/zinc/55/65/37/388556537.db2.gz UQJCMYLPTJBFHA-QUARPLMYSA-N 0 3 228.336 0.898 20 0 BCADHN CC(C)(N)C(=O)NCC[C@@H]1CCCOC1 ZINC000528663091 388556762 /nfs/dbraw/zinc/55/67/62/388556762.db2.gz QSNKLEFQBLIXPC-VIFPVBQESA-N 0 3 214.309 0.657 20 0 BCADHN CC(C)SCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000521067012 388561137 /nfs/dbraw/zinc/56/11/37/388561137.db2.gz WLZJAEXXHKJAJH-UWVGGRQHSA-N 0 3 246.376 0.261 20 0 BCADHN CCNC(=O)CN[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528753738 388566527 /nfs/dbraw/zinc/56/65/27/388566527.db2.gz MJBPMNFQRQKEFS-HJGDQZAQSA-N 0 3 214.309 0.524 20 0 BCADHN CC(C)(O)CN1CC[C@](O)(C(F)(F)F)C1 ZINC000081049455 388566678 /nfs/dbraw/zinc/56/66/78/388566678.db2.gz WORBJLRBHBGXSX-MRVPVSSYSA-N 0 3 227.226 0.756 20 0 BCADHN C[C@H](N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C(N)=O ZINC000528756023 388566933 /nfs/dbraw/zinc/56/69/33/388566933.db2.gz MHHRJHBKRUKANE-PQFOHKHZSA-N 0 3 200.282 0.262 20 0 BCADHN CC1(C(=O)NC[C@@H]2C[C@H](F)CN2)CCC1 ZINC000368373726 388568085 /nfs/dbraw/zinc/56/80/85/388568085.db2.gz GTDBMGDEHMDVHA-IUCAKERBSA-N 0 3 214.284 0.993 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N[C@H]1CCNC1=O ZINC000528759964 388568354 /nfs/dbraw/zinc/56/83/54/388568354.db2.gz VOVGCKQZSZLCQB-MQIGXGKASA-N 0 3 212.293 0.276 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)N1CCC1 ZINC000528758392 388568504 /nfs/dbraw/zinc/56/85/04/388568504.db2.gz ULZVFHSTNGPGHG-DTHBNOIPSA-N 0 3 226.320 0.620 20 0 BCADHN O=C(C=C1CCC1)NC[C@@H]1C[C@H](F)CN1 ZINC000368200775 388568658 /nfs/dbraw/zinc/56/86/58/388568658.db2.gz KHMRQUKGFJKUTP-UWVGGRQHSA-N 0 3 212.268 0.913 20 0 BCADHN CCN(CCO)CCNC(=O)C[C@H]1C=CCC1 ZINC000183938197 388572234 /nfs/dbraw/zinc/57/22/34/388572234.db2.gz TYESKUYHQYSSMG-LBPRGKRZSA-N 0 3 240.347 0.773 20 0 BCADHN C[C@H](O)CCN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528781226 388572795 /nfs/dbraw/zinc/57/27/95/388572795.db2.gz AUUDZOUBRZLSBF-DDIVZENXSA-N 0 3 231.361 0.743 20 0 BCADHN C[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528788621 388573200 /nfs/dbraw/zinc/57/32/00/388573200.db2.gz NKFJHFGWVSTLBT-DLVJRCHESA-N 0 3 217.334 0.353 20 0 BCADHN O=c1ccc([C@@H]2CCCN2CCCO)n[nH]1 ZINC000528793716 388573336 /nfs/dbraw/zinc/57/33/36/388573336.db2.gz ZZZIFHRHQSEOEB-JTQLQIEISA-N 0 3 223.276 0.702 20 0 BCADHN C[C@@H](CO)N(C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000549138482 388573343 /nfs/dbraw/zinc/57/33/43/388573343.db2.gz UQSUMWITDBOPBC-MXWKQRLJSA-N 0 3 228.336 0.698 20 0 BCADHN CCN(CCO)CCNC(=O)CCC(C)C ZINC000183973417 388573556 /nfs/dbraw/zinc/57/35/56/388573556.db2.gz XGHZJVISXLNKSQ-UHFFFAOYSA-N 0 3 230.352 0.853 20 0 BCADHN Cc1cc(CC(=O)N2CCN3CC[C@H]2C3)[nH]n1 ZINC000615568250 388577999 /nfs/dbraw/zinc/57/79/99/388577999.db2.gz KIJCCVHGLSXMKV-NSHDSACASA-N 0 3 234.303 0.177 20 0 BCADHN C[C@@H]1CC[NH2+]C[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000517722109 256831879 /nfs/dbraw/zinc/83/18/79/256831879.db2.gz MVGNNLWHQUBPAX-APPZFPTMSA-N 0 3 232.291 0.136 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2ccon2)[C@H]1C ZINC000261541767 388579514 /nfs/dbraw/zinc/57/95/14/388579514.db2.gz GFJBFFWZQYDHBC-YUMQZZPRSA-N 0 3 209.249 0.497 20 0 BCADHN CCN(C)S(=O)(=O)N1CCC[C@@H](N(C)C)C1 ZINC000245453924 388581514 /nfs/dbraw/zinc/58/15/14/388581514.db2.gz GIXKNDQZSVKQOG-SNVBAGLBSA-N 0 3 249.380 0.209 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cc[nH]n2)[C@H]1C ZINC000261543396 388582897 /nfs/dbraw/zinc/58/28/97/388582897.db2.gz HRAQSXKHMXUPAB-YUMQZZPRSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2ccn[nH]2)[C@H]1C ZINC000261543396 388582898 /nfs/dbraw/zinc/58/28/98/388582898.db2.gz HRAQSXKHMXUPAB-YUMQZZPRSA-N 0 3 208.265 0.232 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)Nc1c[nH]ccc1=O ZINC000649301308 388583008 /nfs/dbraw/zinc/58/30/08/388583008.db2.gz TUEQIGPYCOUFLC-XVKPBYJWSA-N 0 3 223.276 0.687 20 0 BCADHN CC(=O)NCCCN[C@H](CCO)c1ccco1 ZINC000185071109 388584859 /nfs/dbraw/zinc/58/48/59/388584859.db2.gz HOYOOFHEESZMIL-LLVKDONJSA-N 0 3 240.303 0.819 20 0 BCADHN COC[C@@H](C)N1CCC[C@@H](OCCO)C1 ZINC000247499242 388665018 /nfs/dbraw/zinc/66/50/18/388665018.db2.gz LOGARGBUURWGNA-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)N(C)C ZINC000247549232 388665898 /nfs/dbraw/zinc/66/58/98/388665898.db2.gz YQUIWZSGIPWVTM-VHSXEESVSA-N 0 3 213.325 0.940 20 0 BCADHN CCCN(C(=O)[C@@H](C)O)[C@@H]1CCN(C)C1 ZINC000648997556 388686156 /nfs/dbraw/zinc/68/61/56/388686156.db2.gz SGENKQZOELUZBB-NXEZZACHSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@@H](O)CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000192814366 388686150 /nfs/dbraw/zinc/68/61/50/388686150.db2.gz ILOSXVSDEFBNGZ-WDEREUQCSA-N 0 3 230.352 0.144 20 0 BCADHN C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)CO)CCN1C ZINC000521950350 388671456 /nfs/dbraw/zinc/67/14/56/388671456.db2.gz QPYLPYCKXHCKLV-QWRGUYRKSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@@H]1CCN(CC(=O)NCCC(=O)OC)C1 ZINC000125420806 388672082 /nfs/dbraw/zinc/67/20/82/388672082.db2.gz RVNYPAMTOKYQGN-SNVBAGLBSA-N 0 3 242.319 0.398 20 0 BCADHN COC(=O)CNC(=O)CN(C(C)C)C1CCC1 ZINC000125526096 388673710 /nfs/dbraw/zinc/67/37/10/388673710.db2.gz YTYROQUAWYLSTE-UHFFFAOYSA-N 0 3 242.319 0.539 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC000522011712 388674877 /nfs/dbraw/zinc/67/48/77/388674877.db2.gz QQYBEFYLQUMCRX-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN CN(C)CCNC(=O)CCOC[C@@H]1CCCO1 ZINC000192482960 388678304 /nfs/dbraw/zinc/67/83/04/388678304.db2.gz DBPYVOFCMVRRFE-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN COCCN(C)CCCNC(=O)CCSC ZINC000192683814 388681624 /nfs/dbraw/zinc/68/16/24/388681624.db2.gz VVRAGLWYKVRJHJ-UHFFFAOYSA-N 0 3 248.392 0.824 20 0 BCADHN C[C@H](C[NH3+])[N-]S(=O)(=O)c1cccs1 ZINC000077330865 388683132 /nfs/dbraw/zinc/68/31/32/388683132.db2.gz IUHDKMGMURCTKN-ZCFIWIBFSA-N 0 3 220.319 0.374 20 0 BCADHN COCCN(CCO)C[C@@H](O)CC(F)(F)F ZINC000189067858 388618786 /nfs/dbraw/zinc/61/87/86/388618786.db2.gz YLFPGWZPENUXKI-QMMMGPOBSA-N 0 3 245.241 0.240 20 0 BCADHN O[C@@H]1COC[C@@H]1N1CCC(c2ncc[nH]2)CC1 ZINC000551092905 388621700 /nfs/dbraw/zinc/62/17/00/388621700.db2.gz MCKXLLGRCRYRPF-WDEREUQCSA-N 0 3 237.303 0.349 20 0 BCADHN CCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000246181212 388621912 /nfs/dbraw/zinc/62/19/12/388621912.db2.gz HGCDFZIAFDTRBM-ZJUUUORDSA-N 0 3 213.325 0.988 20 0 BCADHN Oc1cccc(CNC[C@@H]2COCCN2)c1 ZINC000530181282 388622684 /nfs/dbraw/zinc/62/26/84/388622684.db2.gz KZPASFYBHYQKLM-LLVKDONJSA-N 0 3 222.288 0.470 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2nncs2)C1 ZINC000530183862 388624047 /nfs/dbraw/zinc/62/40/47/388624047.db2.gz DPVZLNLWANIAAM-MRVPVSSYSA-N 0 3 240.332 0.610 20 0 BCADHN CC[C@@H]1CCN([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000246238280 388625426 /nfs/dbraw/zinc/62/54/26/388625426.db2.gz NPFOGGAFCVUHMN-NXEZZACHSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@H]1CN(CCN2CC[C@@](C)(O)C2)CCO1 ZINC000192752971 388684305 /nfs/dbraw/zinc/68/43/05/388684305.db2.gz WRKPNILKCYMMKZ-NWDGAFQWSA-N 0 3 228.336 0.164 20 0 BCADHN CCCC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000303253532 388630775 /nfs/dbraw/zinc/63/07/75/388630775.db2.gz CYMPQUCVKOPKPQ-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN C[C@H](CO)N(C)CCOC[C@H]1CCCO1 ZINC000551464416 388631192 /nfs/dbraw/zinc/63/11/92/388631192.db2.gz ZPZKAHXZJKRTGN-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN C[C@@H](NC[C@@H]1COCCN1)c1cccnc1 ZINC000530218092 388632303 /nfs/dbraw/zinc/63/23/03/388632303.db2.gz BQDLJVXWYVMATA-ZYHUDNBSSA-N 0 3 221.304 0.721 20 0 BCADHN C[C@H](NC[C@H]1COCCN1)c1ccncc1 ZINC000530220892 388632659 /nfs/dbraw/zinc/63/26/59/388632659.db2.gz KAJYERGUMKMTHC-JQWIXIFHSA-N 0 3 221.304 0.721 20 0 BCADHN CC[C@H](NC[C@H]1COCCN1)c1cnn(C)c1 ZINC000530220928 388632684 /nfs/dbraw/zinc/63/26/84/388632684.db2.gz KPEYKAUVHPPPOQ-RYUDHWBXSA-N 0 3 238.335 0.449 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1)c1ccncc1F ZINC000530222015 388632822 /nfs/dbraw/zinc/63/28/22/388632822.db2.gz FOMSUBVVWQBSSE-ZJUUUORDSA-N 0 3 239.294 0.860 20 0 BCADHN C[C@@H](NC[C@@H]1COCCN1)c1ccco1 ZINC000530225406 388635421 /nfs/dbraw/zinc/63/54/21/388635421.db2.gz ZMMAMVKRZMIWHL-NXEZZACHSA-N 0 3 210.277 0.919 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1)c1cnn(C)c1 ZINC000530226051 388635518 /nfs/dbraw/zinc/63/55/18/388635518.db2.gz VPSFTSMMFJEDRJ-KOLCDFICSA-N 0 3 224.308 0.059 20 0 BCADHN CC(C)n1nccc1CNC[C@H]1COCCN1 ZINC000530246065 388638695 /nfs/dbraw/zinc/63/86/95/388638695.db2.gz AKIRGDYZDQFIJM-NSHDSACASA-N 0 3 238.335 0.542 20 0 BCADHN COC[C@H](N[C@H](C)C(=O)N(C)C)C(C)C ZINC000083399683 388638943 /nfs/dbraw/zinc/63/89/43/388638943.db2.gz YGISXOMCJLVWCM-ZJUUUORDSA-N 0 3 216.325 0.724 20 0 BCADHN COC[C@@H](N[C@H](C)C(=O)NC1CC1)C(C)C ZINC000083400004 388639547 /nfs/dbraw/zinc/63/95/47/388639547.db2.gz VGOOWKATCDMMSH-MWLCHTKSSA-N 0 3 228.336 0.914 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000246504700 388640129 /nfs/dbraw/zinc/64/01/29/388640129.db2.gz ZMTFDJRCJYGTIS-UTLUCORTSA-N 0 3 239.319 0.692 20 0 BCADHN C[C@H](N[C@@H](C)C1CCOCC1)c1nnnn1C ZINC000189861087 388643728 /nfs/dbraw/zinc/64/37/28/388643728.db2.gz ALWCDELUMSSYRV-IUCAKERBSA-N 0 3 239.323 0.676 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc[nH]1 ZINC000261552646 388644014 /nfs/dbraw/zinc/64/40/14/388644014.db2.gz RQFAWICEMQPYSB-DTWKUNHWSA-N 0 3 207.277 0.837 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(CCOCC(F)F)C1 ZINC000189879040 388645160 /nfs/dbraw/zinc/64/51/60/388645160.db2.gz HHEWULKMAHETOD-RKDXNWHRSA-N 0 3 223.263 0.971 20 0 BCADHN Cc1nnc(NC(=O)[C@H]2CCN(C)C2)n1C1CC1 ZINC000551898180 388646600 /nfs/dbraw/zinc/64/66/00/388646600.db2.gz QURWHLBLEZIIQA-VIFPVBQESA-N 0 3 249.318 0.812 20 0 BCADHN COc1ccc(C(=O)NCCCC[NH3+])c([O-])c1 ZINC000037714440 388646670 /nfs/dbraw/zinc/64/66/70/388646670.db2.gz ZQUQBPAACPNRQQ-UHFFFAOYSA-N 0 3 238.287 0.870 20 0 BCADHN C[C@@H](O)CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000192814353 388685216 /nfs/dbraw/zinc/68/52/16/388685216.db2.gz ILOSXVSDEFBNGZ-GHMZBOCLSA-N 0 3 230.352 0.144 20 0 BCADHN C[C@@](O)(CNCC1(F)CC1)CN1CCOCC1 ZINC000530318931 388648507 /nfs/dbraw/zinc/64/85/07/388648507.db2.gz IPEIXBKUSPZJKE-LLVKDONJSA-N 0 3 246.326 0.161 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](O)C(C)C)C[C@H](C)N1 ZINC000620897996 388652453 /nfs/dbraw/zinc/65/24/53/388652453.db2.gz JKMKJJJLOUSFCP-AXFHLTTASA-N 0 3 228.336 0.602 20 0 BCADHN CC[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H](C)N1 ZINC000620896458 388652461 /nfs/dbraw/zinc/65/24/61/388652461.db2.gz BTLFNJMDASDETI-VHSXEESVSA-N 0 3 236.319 0.931 20 0 BCADHN CC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H](C)N1 ZINC000620897863 388652731 /nfs/dbraw/zinc/65/27/31/388652731.db2.gz DKLIVRKGBAABTP-WDEREUQCSA-N 0 3 236.319 0.482 20 0 BCADHN [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1c[n-]nn1 ZINC000084213090 388653981 /nfs/dbraw/zinc/65/39/81/388653981.db2.gz OAAKVZUEALMWCF-SFYZADRCSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cnn[n-]1 ZINC000084213090 388653982 /nfs/dbraw/zinc/65/39/82/388653982.db2.gz OAAKVZUEALMWCF-SFYZADRCSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cn[n-]n1 ZINC000084213090 388653984 /nfs/dbraw/zinc/65/39/84/388653984.db2.gz OAAKVZUEALMWCF-SFYZADRCSA-N 0 3 223.280 0.052 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CCCC[C@H]1CN(C)C ZINC000552002010 388655531 /nfs/dbraw/zinc/65/55/31/388655531.db2.gz QKTLROOFDWNSOZ-NWDGAFQWSA-N 0 3 242.363 0.946 20 0 BCADHN Cc1c(NC(=O)[C@@H](N)C(C)C)cnn1C ZINC000261589403 135229786 /nfs/dbraw/zinc/22/97/86/135229786.db2.gz TYCSZRRNHITUBQ-VIFPVBQESA-N 0 3 210.281 0.650 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C)OC ZINC000223704564 388656940 /nfs/dbraw/zinc/65/69/40/388656940.db2.gz UDHKUONZQFGYHK-HLTSFMKQSA-N 0 3 202.298 0.511 20 0 BCADHN CN(C)CCNC(=O)Cc1ccccc1C(N)=O ZINC000190859011 388657746 /nfs/dbraw/zinc/65/77/46/388657746.db2.gz QBMWVHSGZZXFGD-UHFFFAOYSA-N 0 3 249.314 0.006 20 0 BCADHN CCCN(C(=O)[C@H](O)C(C)C)[C@@H]1CCN(C)C1 ZINC000648996629 388685687 /nfs/dbraw/zinc/68/56/87/388685687.db2.gz WUZQSEQIUZLXGT-VXGBXAGGSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](O)CN1CCC[C@@H](OCCO)C1 ZINC000247281603 388662036 /nfs/dbraw/zinc/66/20/36/388662036.db2.gz SGJCTTMFNLZCSG-WDEREUQCSA-N 0 3 217.309 0.231 20 0 BCADHN CN1CCN(C(=O)[C@H]2CC2(C)C)[C@@H](CN)C1 ZINC000124471387 388663135 /nfs/dbraw/zinc/66/31/35/388663135.db2.gz ZGDNYBFYYFNDIJ-VHSXEESVSA-N 0 3 225.336 0.134 20 0 BCADHN COC[C@@H](CNCc1cccnc1)OC ZINC000227707678 388757238 /nfs/dbraw/zinc/75/72/38/388757238.db2.gz GMCVUEWCSWDLBS-LLVKDONJSA-N 0 3 210.277 0.833 20 0 BCADHN Cc1cc(C(=O)NC[C@H]2CCCN2C)n(C)n1 ZINC000194691510 388739372 /nfs/dbraw/zinc/73/93/72/388739372.db2.gz RCLRTJSJPLAHDP-SNVBAGLBSA-N 0 3 236.319 0.553 20 0 BCADHN COCCCC(=O)NC[C@H]1CCCN1C ZINC000194695831 388739407 /nfs/dbraw/zinc/73/94/07/388739407.db2.gz FUYJPURORBTUIA-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN C[C@@H](C(=O)NC[C@@H]1CCCN1C)n1cncn1 ZINC000194708748 388741120 /nfs/dbraw/zinc/74/11/20/388741120.db2.gz WXYMOYPBYHFBCK-UWVGGRQHSA-N 0 3 237.307 0.050 20 0 BCADHN C[C@H](C(=O)NC[C@@H]1CCCN1C)n1cncn1 ZINC000194708763 388741211 /nfs/dbraw/zinc/74/12/11/388741211.db2.gz WXYMOYPBYHFBCK-ZJUUUORDSA-N 0 3 237.307 0.050 20 0 BCADHN CSC[C@](C)(O)CNCc1cnnn1C ZINC000227126367 388741947 /nfs/dbraw/zinc/74/19/47/388741947.db2.gz YMUCSIIQIIHILA-SECBINFHSA-N 0 3 230.337 0.019 20 0 BCADHN COCCNC(=O)NC[C@@H]1CCCN1C ZINC000194798432 388742965 /nfs/dbraw/zinc/74/29/65/388742965.db2.gz RVKMTOVJPLIRTE-VIFPVBQESA-N 0 3 215.297 0.026 20 0 BCADHN CCN(C(=O)[C@H](CN)OC)C1CCCC1 ZINC000227349723 388748654 /nfs/dbraw/zinc/74/86/54/388748654.db2.gz SRXJLFROORJDSS-JTQLQIEISA-N 0 3 214.309 0.751 20 0 BCADHN CO[C@@H](CN)C(=O)N(CC(C)C)C1CC1 ZINC000227364546 388748873 /nfs/dbraw/zinc/74/88/73/388748873.db2.gz IOSBFPQNQCQLIZ-JTQLQIEISA-N 0 3 214.309 0.607 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cc(C)ccn1 ZINC000227346557 388748951 /nfs/dbraw/zinc/74/89/51/388748951.db2.gz PMIWBISCAURLII-QMMMGPOBSA-N 0 3 209.249 0.302 20 0 BCADHN CO[C@H](CN)C(=O)NCC1CCCC1 ZINC000227348342 388748968 /nfs/dbraw/zinc/74/89/68/388748968.db2.gz RZPDFYWOZDPDPB-SECBINFHSA-N 0 3 200.282 0.267 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000251588671 388749197 /nfs/dbraw/zinc/74/91/97/388749197.db2.gz FJYAMRHEDUEXFV-OPRDCNLKSA-N 0 3 214.309 0.607 20 0 BCADHN C[C@@H](CO)NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000539167125 388749429 /nfs/dbraw/zinc/74/94/29/388749429.db2.gz KKWDNDDXYYDUPW-GUBZILKMSA-N 0 3 229.324 0.149 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1ccco1 ZINC000227349499 388749482 /nfs/dbraw/zinc/74/94/82/388749482.db2.gz HFZSHWPTNRPJNJ-SECBINFHSA-N 0 3 212.249 0.212 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000227344964 388749516 /nfs/dbraw/zinc/74/95/16/388749516.db2.gz LUXPZHOHIFJOLW-OPRDCNLKSA-N 0 3 214.309 0.465 20 0 BCADHN C[C@H]1CCN(CC(=O)NCCn2cccc2)C1 ZINC000553158152 388750047 /nfs/dbraw/zinc/75/00/47/388750047.db2.gz NUALEEYPRNJZEZ-LBPRGKRZSA-N 0 3 235.331 0.946 20 0 BCADHN CO[C@@H](CN)C(=O)NC1(C)CCCCC1 ZINC000227379367 388750212 /nfs/dbraw/zinc/75/02/12/388750212.db2.gz JXXHSEBEXMAABV-VIFPVBQESA-N 0 3 214.309 0.799 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000227388304 388750248 /nfs/dbraw/zinc/75/02/48/388750248.db2.gz JMUBZBBXRDUSLR-KXUCPTDWSA-N 0 3 214.309 0.607 20 0 BCADHN CO[C@H](CN)C(=O)NCc1ccsc1 ZINC000227383345 388750473 /nfs/dbraw/zinc/75/04/73/388750473.db2.gz UVAYJYKRVUXSCF-MRVPVSSYSA-N 0 3 214.290 0.338 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccncc1C ZINC000227383903 388750546 /nfs/dbraw/zinc/75/05/46/388750546.db2.gz FEHMHCODXAJADV-SECBINFHSA-N 0 3 209.249 0.302 20 0 BCADHN CN(C)CCNC(=O)CN1CCC(C)(C)C1 ZINC000553190105 388751882 /nfs/dbraw/zinc/75/18/82/388751882.db2.gz APTAKQBIAFPLCB-UHFFFAOYSA-N 0 3 227.352 0.396 20 0 BCADHN Cc1cc(CC(=O)NCCN(C)C)on1 ZINC000553190445 388751921 /nfs/dbraw/zinc/75/19/21/388751921.db2.gz TYZOODIQIYVRGW-UHFFFAOYSA-N 0 3 211.265 0.203 20 0 BCADHN COCC1(CC(=O)NC[C@@H](C)N(C)C)CC1 ZINC000648731019 388752496 /nfs/dbraw/zinc/75/24/96/388752496.db2.gz YLAXHCUZPGPNLG-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CCOCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC000553208633 388752535 /nfs/dbraw/zinc/75/25/35/388752535.db2.gz SBVSDGFCXSMYSP-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CCCN(C(=O)[C@H](C)N(C)C)[C@@H]1CCN(C)C1 ZINC000648998792 388686847 /nfs/dbraw/zinc/68/68/47/388686847.db2.gz RPJRSNXCAMUFIS-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN CCCN(C(=O)[C@H](C)N(C)C)[C@H]1CCN(C)C1 ZINC000648998793 388687671 /nfs/dbraw/zinc/68/76/71/388687671.db2.gz RPJRSNXCAMUFIS-RYUDHWBXSA-N 0 3 241.379 0.879 20 0 BCADHN CCCN(C(=O)CCOC)[C@@H]1CCN(C)C1 ZINC000648999865 388691211 /nfs/dbraw/zinc/69/12/11/388691211.db2.gz ITMQMQJKTVCZFQ-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H]1COCC[C@H]1C(=O)NC[C@H]1CCCN1C ZINC000248740465 388692080 /nfs/dbraw/zinc/69/20/80/388692080.db2.gz DDIPYAHOKJHMPT-IJLUTSLNSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@H](C(=O)N1CCN(C(C)C)CC1)N(C)C ZINC000126284450 388693550 /nfs/dbraw/zinc/69/35/50/388693550.db2.gz IYQAOFACFMDNJJ-GFCCVEGCSA-N 0 3 241.379 0.879 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1CCOC[C@H]1C ZINC000248754320 388693659 /nfs/dbraw/zinc/69/36/59/388693659.db2.gz HOIZJTNRHJGITC-GHMZBOCLSA-N 0 3 228.336 0.727 20 0 BCADHN CCCN(C(=O)CNC(C)=O)[C@@H]1CCN(C)C1 ZINC000649004647 388698441 /nfs/dbraw/zinc/69/84/41/388698441.db2.gz DGDQZEFVIRZMNE-LLVKDONJSA-N 0 3 241.335 0.065 20 0 BCADHN CCCCCNC(=O)CN1CC[C@H](C)[C@H]1CO ZINC000248899346 388698557 /nfs/dbraw/zinc/69/85/57/388698557.db2.gz HBXHLAZIAMFCDX-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN CCCCCNC(=O)CN1CC[C@@H](C)[C@H]1CO ZINC000248899350 388698739 /nfs/dbraw/zinc/69/87/39/388698739.db2.gz HBXHLAZIAMFCDX-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN O=C(C[C@@H]1CCCO1)N1CCN2CCC[C@@H]2C1 ZINC000195332673 388705796 /nfs/dbraw/zinc/70/57/96/388705796.db2.gz UUONHQLVIXCTRP-NEPJUHHUSA-N 0 3 238.331 0.862 20 0 BCADHN COC[C@H](C)CN1CCC[C@H]1C(=O)N(C)C ZINC000249178338 388711386 /nfs/dbraw/zinc/71/13/86/388711386.db2.gz GNIYRLHALIOMHP-MNOVXSKESA-N 0 3 228.336 0.822 20 0 BCADHN CCN(CCCNC(C)=O)Cc1cnn(C)c1 ZINC000195519065 388712778 /nfs/dbraw/zinc/71/27/78/388712778.db2.gz VKCUGZOEUXMQFY-UHFFFAOYSA-N 0 3 238.335 0.768 20 0 BCADHN Cn1cc(CCNC[C@H](O)C(F)(F)F)cn1 ZINC000087766319 388713293 /nfs/dbraw/zinc/71/32/93/388713293.db2.gz RQPSOHZIMYBLJI-QMMMGPOBSA-N 0 3 237.225 0.475 20 0 BCADHN CCC[C@@H](C)N1CCO[C@@H](C(N)=O)C1 ZINC000249261292 388714126 /nfs/dbraw/zinc/71/41/26/388714126.db2.gz HRCUDUOXPZPNTN-RKDXNWHRSA-N 0 3 200.282 0.361 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCC[C@@H](O)CC ZINC000226332102 388715808 /nfs/dbraw/zinc/71/58/08/388715808.db2.gz TYWHNFWSIQYAMF-LPEHRKFASA-N 0 3 216.325 0.637 20 0 BCADHN CCOC[C@@H](O)CNC1(C(N)=O)CCCCC1 ZINC000127145696 388716389 /nfs/dbraw/zinc/71/63/89/388716389.db2.gz OPAWKBUYGWKLNX-JTQLQIEISA-N 0 3 244.335 0.162 20 0 BCADHN COCCO[C@@H]1CCN([C@@H](C)COC)C1 ZINC000249374016 388718321 /nfs/dbraw/zinc/71/83/21/388718321.db2.gz NSVCLYDJRNYMBS-WDEREUQCSA-N 0 3 217.309 0.759 20 0 BCADHN C[C@@H]1CN(CCN2CCOC[C@@H]2C)CC[C@H]1O ZINC000249362300 388718622 /nfs/dbraw/zinc/71/86/22/388718622.db2.gz AHTHTTVYYMZCJI-FRRDWIJNSA-N 0 3 242.363 0.410 20 0 BCADHN CCN(C)CCNC(=O)COC[C@@H]1CCCO1 ZINC000522203491 388720978 /nfs/dbraw/zinc/72/09/78/388720978.db2.gz CDDAEPGMTAZCSP-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CCN(CC)C(=O)[C@@H]1CCCN1C[C@H](C)O ZINC000249442907 388721448 /nfs/dbraw/zinc/72/14/48/388721448.db2.gz FPSCHXPPEBKQMK-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN COC[C@@H](C)CN1CCN(CCO)[C@H](C)C1 ZINC000249463573 388722677 /nfs/dbraw/zinc/72/26/77/388722677.db2.gz GEZMCBUKOCIRIR-NWDGAFQWSA-N 0 3 230.352 0.267 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000226602398 388722948 /nfs/dbraw/zinc/72/29/48/388722948.db2.gz ACELSKFUJKVTGC-IWSPIJDZSA-N 0 3 235.349 0.169 20 0 BCADHN CCN(CC)CC(=O)NCCCC(=O)OC ZINC000066861617 388723535 /nfs/dbraw/zinc/72/35/35/388723535.db2.gz VTESGCYQHRRKMK-UHFFFAOYSA-N 0 3 230.308 0.398 20 0 BCADHN COCCN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000249498392 388724499 /nfs/dbraw/zinc/72/44/99/388724499.db2.gz HNDYUJYVYYBCMA-QWRGUYRKSA-N 0 3 216.325 0.020 20 0 BCADHN CCN1CCC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000066921984 388725123 /nfs/dbraw/zinc/72/51/23/388725123.db2.gz YVUTYMWHCWSPKD-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN CN1CC=C(CNc2cncc(C(N)=O)n2)CC1 ZINC000539392976 388756890 /nfs/dbraw/zinc/75/68/90/388756890.db2.gz FHQDFPNKSMOIBY-UHFFFAOYSA-N 0 3 247.302 0.249 20 0 BCADHN CCCNC(=O)CN(C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249549270 388726515 /nfs/dbraw/zinc/72/65/15/388726515.db2.gz HHEABNXMVKYHHK-YPMHNXCESA-N 0 3 242.363 0.996 20 0 BCADHN CCOC(=O)N[C@@H]1CCCN(C[C@H](C)O)C1 ZINC000249531227 388726571 /nfs/dbraw/zinc/72/65/71/388726571.db2.gz JLKVGZSCDCDLRX-VHSXEESVSA-N 0 3 230.308 0.578 20 0 BCADHN Cc1nnc(NC(=O)NCCN(C)C)s1 ZINC000194263338 388727930 /nfs/dbraw/zinc/72/79/30/388727930.db2.gz BWUGPIIURRKRRS-UHFFFAOYSA-N 0 3 229.309 0.530 20 0 BCADHN COC[C@@H](C)N1CCN(CCO)[C@@H](C)C1 ZINC000249578039 388728298 /nfs/dbraw/zinc/72/82/98/388728298.db2.gz PZLQODSVVDQOJF-WDEREUQCSA-N 0 3 216.325 0.020 20 0 BCADHN COCCCN(C)C(=O)CN(C)C(C)C ZINC000127621856 388729111 /nfs/dbraw/zinc/72/91/11/388729111.db2.gz OTANYKYQGUTPSH-UHFFFAOYSA-N 0 3 216.325 0.822 20 0 BCADHN CO[C@@H]1CN([C@H]2CCN(C)C2=O)CC[C@H]1C ZINC000251855849 388757098 /nfs/dbraw/zinc/75/70/98/388757098.db2.gz NVKCWEIVLMEAAK-OUAUKWLOSA-N 0 3 226.320 0.574 20 0 BCADHN COC[C@H](C)CN(C)[C@@H](C)C[S@@](C)=O ZINC000249763452 388732445 /nfs/dbraw/zinc/73/24/45/388732445.db2.gz HYVHNKXAYSCUHF-ISTVAULSSA-N 0 3 221.366 0.968 20 0 BCADHN C[C@H](NC[C@@H](O)CN(C)C)c1cscn1 ZINC000127847226 388732797 /nfs/dbraw/zinc/73/27/97/388732797.db2.gz AMQIXCKKGRCBSQ-DTWKUNHWSA-N 0 3 229.349 0.716 20 0 BCADHN COC[C@@H](C)CN1CCO[C@@H](COC)C1 ZINC000249771425 388732992 /nfs/dbraw/zinc/73/29/92/388732992.db2.gz JOHXTUXZKUJPAZ-WDEREUQCSA-N 0 3 217.309 0.616 20 0 BCADHN CC[C@@H](O)CN1CCN(C)[C@H](C)[C@H]1C ZINC000540042962 388793287 /nfs/dbraw/zinc/79/32/87/388793287.db2.gz MNPIWKBDKUGMBJ-GMTAPVOTSA-N 0 3 200.326 0.782 20 0 BCADHN COC(=O)CCN1CC[C@@H](O)[C@@H](C)C1 ZINC000229574368 388795050 /nfs/dbraw/zinc/79/50/50/388795050.db2.gz AOZQHTHACKEUOD-DTWKUNHWSA-N 0 3 201.266 0.252 20 0 BCADHN CC[C@@H](C(=O)NCCCCC(N)=O)N(C)C ZINC000540117232 388795824 /nfs/dbraw/zinc/79/58/24/388795824.db2.gz QHXUEBIGZUFWGX-VIFPVBQESA-N 0 3 229.324 0.098 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCC(C)(C)O ZINC000554135987 388801783 /nfs/dbraw/zinc/80/17/83/388801783.db2.gz VIGUDYQNEDIOGO-VIFPVBQESA-N 0 3 216.325 0.604 20 0 BCADHN CC[C@@H](O)CNCc1cc(C(N)=O)cs1 ZINC000229963272 388807032 /nfs/dbraw/zinc/80/70/32/388807032.db2.gz VHQMSSBGEKQNCE-MRVPVSSYSA-N 0 3 228.317 0.708 20 0 BCADHN CN(C)CCOCCNCc1cc[nH]n1 ZINC000230005166 388809773 /nfs/dbraw/zinc/80/97/73/388809773.db2.gz XIRPIQBYBFLKNV-UHFFFAOYSA-N 0 3 212.297 0.078 20 0 BCADHN CN(C)CCOCCNCc1ncc[nH]1 ZINC000230004906 388809886 /nfs/dbraw/zinc/80/98/86/388809886.db2.gz BEQNLKCNJOCASO-UHFFFAOYSA-N 0 3 212.297 0.078 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)c1ccsc1 ZINC000227785758 388758456 /nfs/dbraw/zinc/75/84/56/388758456.db2.gz SOHIBISKEZEMTA-VIFPVBQESA-N 0 3 226.301 0.466 20 0 BCADHN CO[C@@H]1CN(CCN2CCCC2=O)CC[C@H]1C ZINC000252013809 388759773 /nfs/dbraw/zinc/75/97/73/388759773.db2.gz XYISIVSIWIEIOJ-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN COCC[C@@H](CO)NCc1cnc(C)s1 ZINC000282242008 135370598 /nfs/dbraw/zinc/37/05/98/135370598.db2.gz OCGLMKHWVZUJKF-VIFPVBQESA-N 0 3 230.333 0.939 20 0 BCADHN CO[C@H]1CCCN([C@H]2CCCN(C)C2=O)C1 ZINC000539813116 388780464 /nfs/dbraw/zinc/78/04/64/388780464.db2.gz SOZUNIDCCGDSSM-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN CCN1CCN(CC[C@@H](C)O)[C@@H](C)C1 ZINC000250206326 388786228 /nfs/dbraw/zinc/78/62/28/388786228.db2.gz CAZBZIHBVIEAHE-WDEREUQCSA-N 0 3 200.326 0.783 20 0 BCADHN C[C@@H](C(=O)N[C@@H](C)CN(C)C)c1cnn(C)c1 ZINC000553791398 388789847 /nfs/dbraw/zinc/78/98/47/388789847.db2.gz YCBAUOBOTRWCGQ-VHSXEESVSA-N 0 3 238.335 0.590 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000553789803 388789925 /nfs/dbraw/zinc/78/99/25/388789925.db2.gz QZGRVNQIILACPK-MMWGEVLESA-N 0 3 226.320 0.478 20 0 BCADHN CC[C@H](C(N)=O)N(C)[C@@H]1CCCC[C@H]1O ZINC000252920716 388790678 /nfs/dbraw/zinc/79/06/78/388790678.db2.gz GDKRZCGXVHXTFY-OPRDCNLKSA-N 0 3 214.309 0.486 20 0 BCADHN CC1CCC(CN2CCO[C@@H](C(N)=O)C2)CC1 ZINC000092735901 388816829 /nfs/dbraw/zinc/81/68/29/388816829.db2.gz IFVJWCKLBFEALS-HTAVTVPLSA-N 0 3 240.347 0.999 20 0 BCADHN CC[C@@H](C(=O)NCc1nnc(C)s1)N(C)C ZINC000540957201 388830198 /nfs/dbraw/zinc/83/01/98/388830198.db2.gz MSXGOFXMGTVMQI-QMMMGPOBSA-N 0 3 242.348 0.803 20 0 BCADHN Cn1cncc1CNCC(C)(C)CCO ZINC000231403845 388836083 /nfs/dbraw/zinc/83/60/83/388836083.db2.gz PFYFXFMEXHMIRF-UHFFFAOYSA-N 0 3 211.309 0.918 20 0 BCADHN O=C(C[C@H]1CCOC1)NCCNc1ccncc1 ZINC000555549810 388852802 /nfs/dbraw/zinc/85/28/02/388852802.db2.gz QQAXGHBULXGBIU-LLVKDONJSA-N 0 3 249.314 0.458 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000194658365 388863453 /nfs/dbraw/zinc/86/34/53/388863453.db2.gz LEFJFRJJFYIQGO-SECBINFHSA-N 0 3 222.292 0.624 20 0 BCADHN OC1(CN2CCN3CCOC[C@H]3C2)CCCC1 ZINC000541700623 388864046 /nfs/dbraw/zinc/86/40/46/388864046.db2.gz VDVADJGBMMQWKP-GFCCVEGCSA-N 0 3 240.347 0.308 20 0 BCADHN COC[C@H](C)CNC(=O)NC1CCN(C)CC1 ZINC000194667668 388864200 /nfs/dbraw/zinc/86/42/00/388864200.db2.gz NBVIPYZUMJHUDL-SNVBAGLBSA-N 0 3 243.351 0.662 20 0 BCADHN COC[C@@H](C)CNC(=O)NC1CCN(C)CC1 ZINC000194667651 388864936 /nfs/dbraw/zinc/86/49/36/388864936.db2.gz NBVIPYZUMJHUDL-JTQLQIEISA-N 0 3 243.351 0.662 20 0 BCADHN C=Cn1cc(CNC2(CC(N)=O)CCC2)cn1 ZINC000556040303 388865564 /nfs/dbraw/zinc/86/55/64/388865564.db2.gz TVUMFNUHSJGNPO-UHFFFAOYSA-N 0 3 234.303 0.871 20 0 BCADHN CC[C@H](C)NC(=O)CCNC(=O)C1(N)CCC1 ZINC000148002601 388865618 /nfs/dbraw/zinc/86/56/18/388865618.db2.gz ULVKFSIZYXRTCF-VIFPVBQESA-N 0 3 241.335 0.289 20 0 BCADHN Cn1nncc1CNCCc1cscn1 ZINC000129770507 388869452 /nfs/dbraw/zinc/86/94/52/388869452.db2.gz KTEKRXLMBQALNS-UHFFFAOYSA-N 0 3 223.305 0.604 20 0 BCADHN Cc1cc(NC(=O)NCCN(C)C)c(C)cn1 ZINC000541862867 388870534 /nfs/dbraw/zinc/87/05/34/388870534.db2.gz GMMSNBKNVLVGMW-UHFFFAOYSA-N 0 3 236.319 0.803 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H](C)C[C@@H](C)O)N(C)C ZINC000541243742 388845834 /nfs/dbraw/zinc/84/58/34/388845834.db2.gz SABKSUZGBLTJHF-GMTAPVOTSA-N 0 3 230.352 0.848 20 0 BCADHN C[C@H](NC(=O)NC[C@]1(O)CCN(C)C1)C1CC1 ZINC000564597971 388880413 /nfs/dbraw/zinc/88/04/13/388880413.db2.gz CJJNEXVGYMNQOD-JOYOIKCWSA-N 0 3 241.335 0.151 20 0 BCADHN CN(C)CCN(C)C(=O)NCC(C)(F)F ZINC000564639283 388882136 /nfs/dbraw/zinc/88/21/36/388882136.db2.gz WXXMVKYRIGKYPW-UHFFFAOYSA-N 0 3 223.267 0.845 20 0 BCADHN CC[C@H]1COCCN1C(=O)CN1CC[C@H](C)C1 ZINC000564736883 388886972 /nfs/dbraw/zinc/88/69/72/388886972.db2.gz PTGCHBUSDUZQJO-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H](O)COC(C)C ZINC000564843847 388892647 /nfs/dbraw/zinc/89/26/47/388892647.db2.gz GBCVJPCVIVTFJV-LLVKDONJSA-N 0 3 227.308 0.594 20 0 BCADHN COC(=O)CCCNC[C@](C)(O)C(F)(F)F ZINC000564845101 388893638 /nfs/dbraw/zinc/89/36/38/388893638.db2.gz SZVAJSKNHLSCMO-QMMMGPOBSA-N 0 3 243.225 0.843 20 0 BCADHN COCCNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000564894623 388897409 /nfs/dbraw/zinc/89/74/09/388897409.db2.gz CPKWYSOFTIAZDE-LBPRGKRZSA-N 0 3 236.315 0.709 20 0 BCADHN O=C(C[C@H]1CNCCO1)NC1(C2CC2)CC1 ZINC000564991422 388907165 /nfs/dbraw/zinc/90/71/65/388907165.db2.gz UZLLFKKDDHDTKB-JTQLQIEISA-N 0 3 224.304 0.424 20 0 BCADHN 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/nfs/dbraw/zinc/19/99/00/135199900.db2.gz YSRXZMKYQJYYRF-FXBDTBDDSA-N 0 3 212.293 0.136 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H](C)N ZINC000261562821 135204234 /nfs/dbraw/zinc/20/42/34/135204234.db2.gz BPQINLGWCFQKNS-RQJHMYQMSA-N 0 3 210.281 0.253 20 0 BCADHN C[C@@H](O)CC(C)(C)CNC(=O)C1(N)CC1 ZINC000261566463 135208628 /nfs/dbraw/zinc/20/86/28/135208628.db2.gz DPUPQRACZXMHBT-MRVPVSSYSA-N 0 3 214.309 0.391 20 0 BCADHN C[C@H]1CCNC[C@@H]1NS(=O)(=O)CCC1CC1 ZINC000261567865 135210253 /nfs/dbraw/zinc/21/02/53/135210253.db2.gz FFLNEUYITPKGPT-ONGXEEELSA-N 0 3 246.376 0.704 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](CC)C(=O)OC ZINC000261568453 135210456 /nfs/dbraw/zinc/21/04/56/135210456.db2.gz FPXWRUIPPYJHGB-KCJUWKMLSA-N 0 3 230.308 0.572 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H](CN)OC ZINC000261568380 135210750 /nfs/dbraw/zinc/21/07/50/135210750.db2.gz FMPOZENKKULTRC-OPRDCNLKSA-N 0 3 214.309 0.607 20 0 BCADHN Cn1cccc1CNC[C@H](O)[C@H]1CCOC1 ZINC000164205960 135216306 /nfs/dbraw/zinc/21/63/06/135216306.db2.gz SZIUGNWHDVGKOK-JQWIXIFHSA-N 0 3 224.304 0.512 20 0 BCADHN CN(CCC1CC1)C(=O)C[C@H]1CNCCO1 ZINC000261575425 135217047 /nfs/dbraw/zinc/21/70/47/135217047.db2.gz JROWIYXKHIXKFG-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN NC(C(=O)NCc1ccco1)C(F)(F)F ZINC000261577353 135218498 /nfs/dbraw/zinc/21/84/98/135218498.db2.gz LBJXMDYCQTZJND-LURJTMIESA-N 0 3 222.166 0.785 20 0 BCADHN NC1(C(=O)N2CC[C@]3(CCOC3)C2)CC1 ZINC000261581732 135222057 /nfs/dbraw/zinc/22/20/57/135222057.db2.gz NVLSFVKMVHNTKX-JTQLQIEISA-N 0 3 210.277 0.117 20 0 BCADHN CCC[C@@H]1CN(C(=O)C2(N)CC2)CCO1 ZINC000261584851 135226128 /nfs/dbraw/zinc/22/61/28/135226128.db2.gz QBOZYUVJSBFVRD-SECBINFHSA-N 0 3 212.293 0.505 20 0 BCADHN C[C@H]1C[C@@H](CNC(=O)C2(N)CC2)CCO1 ZINC000261596086 135235792 /nfs/dbraw/zinc/23/57/92/135235792.db2.gz YMAJQYSJBIPRRD-IUCAKERBSA-N 0 3 212.293 0.409 20 0 BCADHN C[C@@H]1C[C@@H](CNC(=O)C2(N)CC2)CCO1 ZINC000261595784 135235981 /nfs/dbraw/zinc/23/59/81/135235981.db2.gz YMAJQYSJBIPRRD-BDAKNGLRSA-N 0 3 212.293 0.409 20 0 BCADHN C[C@H]1C[C@H](CNC(=O)C2(N)CC2)CCO1 ZINC000261595785 135236042 /nfs/dbraw/zinc/23/60/42/135236042.db2.gz YMAJQYSJBIPRRD-DTWKUNHWSA-N 0 3 212.293 0.409 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)o1 ZINC000261546344 135238538 /nfs/dbraw/zinc/23/85/38/135238538.db2.gz KWNIKAHQYSHTIV-QMMMGPOBSA-N 0 3 230.289 0.228 20 0 BCADHN CC(C)(C)CCNC(=O)COC1CNC1 ZINC000261547370 135239939 /nfs/dbraw/zinc/23/99/39/135239939.db2.gz MGJZTUXMHWNKRH-UHFFFAOYSA-N 0 3 214.309 0.527 20 0 BCADHN O=S(=O)([N-][C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000261547910 135240871 /nfs/dbraw/zinc/24/08/71/135240871.db2.gz MTWOPRABSVXHMD-MRVPVSSYSA-N 0 3 230.289 0.310 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)CCOC1CNC1 ZINC000261547964 135240946 /nfs/dbraw/zinc/24/09/46/135240946.db2.gz MXCWGYKOOTXQFY-RKDXNWHRSA-N 0 3 212.293 0.137 20 0 BCADHN O=C(NCC1(O)CNC1)Nc1ccc(F)cc1 ZINC000261547854 135240966 /nfs/dbraw/zinc/24/09/66/135240966.db2.gz ISPFFMRYOXEVDM-UHFFFAOYSA-N 0 3 239.250 0.282 20 0 BCADHN CC(C)N(C(=O)[C@@H](C)N1CCNCC1)C(C)C ZINC000261614506 135244426 /nfs/dbraw/zinc/24/44/26/135244426.db2.gz BCWNMLVBCSQLNY-GFCCVEGCSA-N 0 3 241.379 0.926 20 0 BCADHN O=S(=O)([N-]C[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000261668098 135244861 /nfs/dbraw/zinc/24/48/61/135244861.db2.gz JZJIGLRDQANBKZ-SECBINFHSA-N 0 3 244.316 0.558 20 0 BCADHN C[C@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000261755724 135249733 /nfs/dbraw/zinc/24/97/33/135249733.db2.gz WYGPGAPRRILHQN-IUCAKERBSA-N 0 3 244.316 0.556 20 0 BCADHN C[C@@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000261755718 135250169 /nfs/dbraw/zinc/25/01/69/135250169.db2.gz WYGPGAPRRILHQN-BDAKNGLRSA-N 0 3 244.316 0.556 20 0 BCADHN C[C@@H](N)C(=O)NCCc1cnc(C2CC2)nc1 ZINC000261794852 135253198 /nfs/dbraw/zinc/25/31/98/135253198.db2.gz DIJDYEZCGJZVKB-MRVPVSSYSA-N 0 3 234.303 0.360 20 0 BCADHN C[C@@H](N)C(=O)N1CCOC[C@H]1c1ccccc1 ZINC000261870355 135258710 /nfs/dbraw/zinc/25/87/10/135258710.db2.gz QNQDJHRRZOMIDZ-PWSUYJOCSA-N 0 3 234.299 0.934 20 0 BCADHN C[C@@H](N)C(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000261870358 135258875 /nfs/dbraw/zinc/25/88/75/135258875.db2.gz QNQDJHRRZOMIDZ-ZYHUDNBSSA-N 0 3 234.299 0.934 20 0 BCADHN C[C@@H](N)C(=O)NCc1cccc(NC(N)=O)c1 ZINC000261870473 135258939 /nfs/dbraw/zinc/25/89/39/135258939.db2.gz QPPYKNVSDFPKND-SSDOTTSWSA-N 0 3 236.275 0.141 20 0 BCADHN CC[C@H]1CN(C(=O)C2CCN(C)CC2)C[C@@H]1O ZINC000342265278 135259802 /nfs/dbraw/zinc/25/98/02/135259802.db2.gz LKHSKGQYEHOXPE-JQWIXIFHSA-N 0 3 240.347 0.558 20 0 BCADHN CNC(=O)N[C@@H]1CCN(CCCCCO)C1 ZINC000342355915 135261864 /nfs/dbraw/zinc/26/18/64/135261864.db2.gz DDJWCTVJMGLHHC-SNVBAGLBSA-N 0 3 229.324 0.152 20 0 BCADHN CCc1cc(=O)[n-]c(CN2CC[NH2+]C[C@H]2C)n1 ZINC000261910196 135262014 /nfs/dbraw/zinc/26/20/14/135262014.db2.gz YAXDKINLNYTBBL-SECBINFHSA-N 0 3 236.319 0.538 20 0 BCADHN O=S(=O)([N-]CC[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000261964548 135267496 /nfs/dbraw/zinc/26/74/96/135267496.db2.gz APPORLZYAKZWTQ-VIFPVBQESA-N 0 3 244.316 0.558 20 0 BCADHN CC(C)N[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000079055016 135267813 /nfs/dbraw/zinc/26/78/13/135267813.db2.gz XIHUPGFTTOWTGQ-SECBINFHSA-N 0 3 222.292 0.523 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccccc2O)C1 ZINC000079052831 135268146 /nfs/dbraw/zinc/26/81/46/135268146.db2.gz NKMTZFYIZLUILM-WCBMZHEXSA-N 0 3 236.271 0.708 20 0 BCADHN Cn1ccnc1[C@@H]1CNCCN1CC1CC1 ZINC000262016503 135272987 /nfs/dbraw/zinc/27/29/87/135272987.db2.gz MTMBPGOGWAUUIF-NSHDSACASA-N 0 3 220.320 0.776 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCNC[C@@H]1C ZINC000262023367 135273991 /nfs/dbraw/zinc/27/39/91/135273991.db2.gz MPTLURSZSKUSBW-UTUOFQBUSA-N 0 3 239.363 0.680 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCNC[C@@H]1C ZINC000262023363 135274288 /nfs/dbraw/zinc/27/42/88/135274288.db2.gz MPTLURSZSKUSBW-TUAOUCFPSA-N 0 3 239.363 0.680 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CCOC1 ZINC000342461973 135277098 /nfs/dbraw/zinc/27/70/98/135277098.db2.gz ALXHHFAGSPKKDO-FOGDFJRCSA-N 0 3 238.331 0.622 20 0 BCADHN COCCC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342466514 135277714 /nfs/dbraw/zinc/27/77/14/135277714.db2.gz PNMOSVAYNXAUBJ-KOLCDFICSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342474093 135279019 /nfs/dbraw/zinc/27/90/19/135279019.db2.gz NEIKVOVTJSIWDI-NGZCFLSTSA-N 0 3 226.320 0.620 20 0 BCADHN OC[C@@H]1CCCN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000342477827 135279589 /nfs/dbraw/zinc/27/95/89/135279589.db2.gz HVBPEFWUHBEUBR-RWMBFGLXSA-N 0 3 240.347 0.306 20 0 BCADHN NC1(C(=O)NCC2(CCO)CCCC2)CC1 ZINC000262146695 135282271 /nfs/dbraw/zinc/28/22/71/135282271.db2.gz QLXGPYXQNXACJP-UHFFFAOYSA-N 0 3 226.320 0.537 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(C)C[C@H]1CCOC1 ZINC000262164344 135283003 /nfs/dbraw/zinc/28/30/03/135283003.db2.gz VPWWYTUWPZBKCY-HBNTYKKESA-N 0 3 228.336 0.855 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@@](F)(C(=O)OC)C1 ZINC000262169195 135283973 /nfs/dbraw/zinc/28/39/73/135283973.db2.gz WRVGMFXAWMQMRO-KWQFWETISA-N 0 3 246.282 0.227 20 0 BCADHN CCc1nc(CNC(=O)[C@H](CN)OC)cs1 ZINC000262188351 135284849 /nfs/dbraw/zinc/28/48/49/135284849.db2.gz JJHXVFAGUZQNAX-QMMMGPOBSA-N 0 3 243.332 0.295 20 0 BCADHN [O-]c1ccc(CNC2=[NH+]CCCN2)cc1F ZINC000262414980 135295274 /nfs/dbraw/zinc/29/52/74/135295274.db2.gz YUSAGDDPVHYABV-UHFFFAOYSA-N 0 3 223.251 0.970 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000262449357 135299786 /nfs/dbraw/zinc/29/97/86/135299786.db2.gz DTDRNJIGRFVTCQ-IVZWLZJFSA-N 0 3 226.320 0.798 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000342645176 135299913 /nfs/dbraw/zinc/29/99/13/135299913.db2.gz GELCNIJVFPYXRN-AEJSXWLSSA-N 0 3 242.319 0.666 20 0 BCADHN CC[C@H](C(N)=O)N(C)CC[C@H]1CCCO1 ZINC000342609885 135302886 /nfs/dbraw/zinc/30/28/86/135302886.db2.gz WKBZHWMPMYAXHO-NXEZZACHSA-N 0 3 214.309 0.751 20 0 BCADHN CN(CC[C@H]1CCCO1)[C@@H]1CCNC1=O ZINC000342609934 135302908 /nfs/dbraw/zinc/30/29/08/135302908.db2.gz WRADDZYOMYFNRD-NXEZZACHSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000262539707 135304996 /nfs/dbraw/zinc/30/49/96/135304996.db2.gz KVDSMBNXNZKDLH-LNFKQOIKSA-N 0 3 238.331 0.798 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1CC[C@H](C)[C@H]1C ZINC000342671852 135309556 /nfs/dbraw/zinc/30/95/56/135309556.db2.gz VQRPWZHHIXPJEJ-AEJSXWLSSA-N 0 3 242.319 0.524 20 0 BCADHN CCN(CC1CC1)C(=O)[C@H](N)CCC(=O)OC ZINC000342747564 135311550 /nfs/dbraw/zinc/31/15/50/135311550.db2.gz GWTPTCQDAYRKKQ-SNVBAGLBSA-N 0 3 242.319 0.525 20 0 BCADHN COCCNCC(=O)N1C[C@@H](C)CC1(C)C ZINC000262658440 135312033 /nfs/dbraw/zinc/31/20/33/135312033.db2.gz YAGRAAMXPNWWSA-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N(C)CC(C)(C)C ZINC000342754611 135312218 /nfs/dbraw/zinc/31/22/18/135312218.db2.gz SJGNTHQRKXHRQV-SECBINFHSA-N 0 3 244.335 0.771 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N[C@@H](C)CC1CC1 ZINC000342754492 135312268 /nfs/dbraw/zinc/31/22/68/135312268.db2.gz RIPPVJPDHBZKQH-WPRPVWTQSA-N 0 3 242.319 0.572 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCNCC1(F)F)N(C)C ZINC000342710957 135312798 /nfs/dbraw/zinc/31/27/98/135312798.db2.gz PZZUOILWELUKSK-DTWKUNHWSA-N 0 3 249.305 0.298 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1CCC[C@H](C)C1 ZINC000342717956 135313455 /nfs/dbraw/zinc/31/34/55/135313455.db2.gz DXKHYVSRTGDKGQ-UWVGGRQHSA-N 0 3 242.319 0.525 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N1CCC[C@H](C)C1 ZINC000342717958 135313994 /nfs/dbraw/zinc/31/39/94/135313994.db2.gz DXKHYVSRTGDKGQ-VHSXEESVSA-N 0 3 242.319 0.525 20 0 BCADHN CCN(CC)CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262715799 135315338 /nfs/dbraw/zinc/31/53/38/135315338.db2.gz DMZRHXNASMFXSX-QWRGUYRKSA-N 0 3 227.352 0.537 20 0 BCADHN CCCN(CC)C(=O)[C@H](N)CCC(=O)OC ZINC000342735495 135316166 /nfs/dbraw/zinc/31/61/66/135316166.db2.gz QBKKZIAOEFQXFK-SECBINFHSA-N 0 3 230.308 0.525 20 0 BCADHN Cc1c(C(=O)N2CCN[C@H](C)[C@H]2C)cnn1C ZINC000262737649 135316500 /nfs/dbraw/zinc/31/65/00/135316500.db2.gz CYDNDNIHFXUJEU-RKDXNWHRSA-N 0 3 236.319 0.551 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1C ZINC000342732205 135316875 /nfs/dbraw/zinc/31/68/75/135316875.db2.gz NGBCCLJITDUYKD-GUBZILKMSA-N 0 3 242.319 0.572 20 0 BCADHN CNCC(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000262761080 135317357 /nfs/dbraw/zinc/31/73/57/135317357.db2.gz RNJMYZFTVFKBSR-MNOVXSKESA-N 0 3 228.336 0.916 20 0 BCADHN CCCN(C)S(=O)(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262759087 135317391 /nfs/dbraw/zinc/31/73/91/135317391.db2.gz IVUHMGLUQDXONJ-VHSXEESVSA-N 0 3 249.380 0.255 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cnn(C)c2)[C@H]1C ZINC000262804407 135319140 /nfs/dbraw/zinc/31/91/40/135319140.db2.gz PWWPFAXYVOVQJF-BDAKNGLRSA-N 0 3 222.292 0.243 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cnn(C)c1 ZINC000262804409 135319179 /nfs/dbraw/zinc/31/91/79/135319179.db2.gz PWWPFAXYVOVQJF-DTWKUNHWSA-N 0 3 222.292 0.243 20 0 BCADHN Cc1cnc(CN2CCCN(C)CC2)n1C ZINC000342795602 135319765 /nfs/dbraw/zinc/31/97/65/135319765.db2.gz XPHCKEKRUIURNL-UHFFFAOYSA-N 0 3 222.336 0.866 20 0 BCADHN NS(=O)(=O)C[C@@H]1CCCN1[C@H]1C=CCCC1 ZINC000334165363 135323001 /nfs/dbraw/zinc/32/30/01/135323001.db2.gz AFFXFJCUABNQEM-QWRGUYRKSA-N 0 3 244.360 0.848 20 0 BCADHN C[C@@]1(O)CCN(C(=O)C23CCCN2CCC3)C1 ZINC000334168600 135324328 /nfs/dbraw/zinc/32/43/28/135324328.db2.gz ANYIMGSMXIRORH-GFCCVEGCSA-N 0 3 238.331 0.598 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N1CC[C@H](C)C1 ZINC000342759641 135325492 /nfs/dbraw/zinc/32/54/92/135325492.db2.gz ZXUGKYNVWMWEIW-DTWKUNHWSA-N 0 3 228.292 0.135 20 0 BCADHN COC(=O)c1cnc(N(C)CCN(C)C)nc1 ZINC000342777786 135327271 /nfs/dbraw/zinc/32/72/71/135327271.db2.gz BFPUGSOPRYBBIP-UHFFFAOYSA-N 0 3 238.291 0.261 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC000342931520 135337014 /nfs/dbraw/zinc/33/70/14/135337014.db2.gz FJMIMOQDWJQMAK-JTQLQIEISA-N 0 3 249.314 0.953 20 0 BCADHN COCCN(C[C@@H]1CCCOC1)[C@H](C)C(N)=O ZINC000342943786 135337371 /nfs/dbraw/zinc/33/73/71/135337371.db2.gz QZNRTDSGVOAHBM-MNOVXSKESA-N 0 3 244.335 0.235 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263170316 135337415 /nfs/dbraw/zinc/33/74/15/135337415.db2.gz FQRUFNUPZULFLO-RKDXNWHRSA-N 0 3 247.289 0.146 20 0 BCADHN CN(C(=O)c1cnn(C)c1)[C@H]1CCN(C2CC2)C1 ZINC000334295603 135342297 /nfs/dbraw/zinc/34/22/97/135342297.db2.gz WZUVFEVTQVVYPR-LBPRGKRZSA-N 0 3 248.330 0.729 20 0 BCADHN C[C@H](F)CCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000334304463 135347450 /nfs/dbraw/zinc/34/74/50/135347450.db2.gz FXXKNCDFUDLBMF-KWQFWETISA-N 0 3 243.282 0.409 20 0 BCADHN C[C@@H](F)CCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000334304466 135347628 /nfs/dbraw/zinc/34/76/28/135347628.db2.gz FXXKNCDFUDLBMF-LDYMZIIASA-N 0 3 243.282 0.409 20 0 BCADHN CC[C@H](CO)NC(=O)[C@@H](C(C)C)N(C)C ZINC000343131208 135359886 /nfs/dbraw/zinc/35/98/86/135359886.db2.gz WIOHQKWCXDGIFJ-NXEZZACHSA-N 0 3 216.325 0.460 20 0 BCADHN C[C@H]1CN(C)C[C@H]1NCc1nnc2n1CCC2 ZINC000343159243 135363661 /nfs/dbraw/zinc/36/36/61/135363661.db2.gz PDAYKZXMHXMCNP-VHSXEESVSA-N 0 3 235.335 0.264 20 0 BCADHN CCN(C[C@H]1CCCO1)C[C@](C)(O)C(=O)OC ZINC000080210473 135368241 /nfs/dbraw/zinc/36/82/41/135368241.db2.gz FBWYBGWUGCTKME-PWSUYJOCSA-N 0 3 245.319 0.411 20 0 BCADHN C[C@@H](N)C(=O)N1CCCOC(C)(C)C1 ZINC000306385693 135372606 /nfs/dbraw/zinc/37/26/06/135372606.db2.gz RNOXJXHOFPVXCJ-MRVPVSSYSA-N 0 3 200.282 0.361 20 0 BCADHN CC(C)N(C)CC(=O)N1CCN(C)C[C@H]1C ZINC000334369061 135373501 /nfs/dbraw/zinc/37/35/01/135373501.db2.gz UBACPMWKBIXWDN-LLVKDONJSA-N 0 3 227.352 0.489 20 0 BCADHN C[C@H]1[C@H](C)N(CCn2cccn2)CCN1C ZINC000334370093 135375245 /nfs/dbraw/zinc/37/52/45/135375245.db2.gz VLCGJHARCLIUBD-RYUDHWBXSA-N 0 3 222.336 0.908 20 0 BCADHN C[C@H]1CCN(C(=O)N(C)CCN(C)C)C1 ZINC000334376561 135376215 /nfs/dbraw/zinc/37/62/15/135376215.db2.gz VWPBBKPHMRPJGK-JTQLQIEISA-N 0 3 213.325 0.942 20 0 BCADHN CCOC[C@H](O)CN1CC[C@H](C)[C@@H](OC)C1 ZINC000299893015 135380585 /nfs/dbraw/zinc/38/05/85/135380585.db2.gz GOFQTXWTEBLVEH-TUAOUCFPSA-N 0 3 231.336 0.741 20 0 BCADHN C[C@H]1CCN(CCn2ccnc2)C[C@H]1O ZINC000299891450 135380725 /nfs/dbraw/zinc/38/07/25/135380725.db2.gz TWQKIGGHFHTAIK-WDEREUQCSA-N 0 3 209.293 0.586 20 0 BCADHN C[C@H]1CN(C(=O)[C@H]2CCN(C)C2)CCC1=O ZINC000334388741 135385028 /nfs/dbraw/zinc/38/50/28/135385028.db2.gz QZZNAOVKDMJLOA-UWVGGRQHSA-N 0 3 224.304 0.376 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)CCC1=O ZINC000334388743 135385096 /nfs/dbraw/zinc/38/50/96/135385096.db2.gz QZZNAOVKDMJLOA-ZJUUUORDSA-N 0 3 224.304 0.376 20 0 BCADHN CC(C)NC(=O)CNC(=O)[C@@H]1CCCCCN1 ZINC000080993885 135385156 /nfs/dbraw/zinc/38/51/56/135385156.db2.gz GSNJMMIMZKVKGJ-JTQLQIEISA-N 0 3 241.335 0.159 20 0 BCADHN Cn1ccc(NC(=O)[C@@H]2CCCCCN2)n1 ZINC000081015454 135385651 /nfs/dbraw/zinc/38/56/51/135385651.db2.gz XAIBPOMZQBWCIN-VIFPVBQESA-N 0 3 222.292 0.891 20 0 BCADHN C[C@H]1CN(C2CCN(CCO)CC2)CCO1 ZINC000081671489 135388678 /nfs/dbraw/zinc/38/86/78/135388678.db2.gz LVTNSNNHUNDHPE-NSHDSACASA-N 0 3 228.336 0.164 20 0 BCADHN Cc1cn[nH]c1CN1CCC[C@@]2(CNC(=O)C2)C1 ZINC000334403247 135390919 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136019633 /nfs/dbraw/zinc/01/96/33/136019633.db2.gz YDMSZQPFQWHHLW-UHFFFAOYSA-N 0 3 243.351 0.217 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)C1(C)COC1 ZINC000335302959 136021086 /nfs/dbraw/zinc/02/10/86/136021086.db2.gz FKDQOUOSBTXBQL-SECBINFHSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H]1NC(=O)N(CCN2CCCC2)C1=O ZINC000335302954 136021263 /nfs/dbraw/zinc/02/12/63/136021263.db2.gz FGTVKIRTEGRHPG-QMMMGPOBSA-N 0 3 211.265 0.023 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@@H](CO)[C@H]1C ZINC000335305764 136022251 /nfs/dbraw/zinc/02/22/51/136022251.db2.gz DEWYXMPGQOBMKO-MNOVXSKESA-N 0 3 223.320 0.931 20 0 BCADHN CC(C)C(=O)NCCN(C)CC1(C)COC1 ZINC000347973676 136022522 /nfs/dbraw/zinc/02/25/22/136022522.db2.gz LNPVROSLCMXETO-UHFFFAOYSA-N 0 3 228.336 0.727 20 0 BCADHN CN(C)C(=O)CN(C)[C@H]1CC[C@H](O)CC1 ZINC000335307321 136027085 /nfs/dbraw/zinc/02/70/85/136027085.db2.gz XWFRTDVHCYRPKJ-MGCOHNPYSA-N 0 3 214.309 0.310 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CC[C@H](O)C1 ZINC000335308761 136027726 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BCADHN C[C@H](N[C@@H]1CCCOC1)C(=O)NCCF ZINC000308897544 487574614 /nfs/dbraw/zinc/57/46/14/487574614.db2.gz ATHDZHGIGFQCDB-DTWKUNHWSA-N 0 3 218.272 0.229 20 0 BCADHN COC[C@H]1CCCN1CC(=O)N(C)C ZINC000674468734 487578929 /nfs/dbraw/zinc/57/89/29/487578929.db2.gz CORSHXODZCVMCR-SECBINFHSA-N 0 3 200.282 0.185 20 0 BCADHN O=C(NCCN1CCCCC1)c1cn[nH]c1 ZINC000042339607 322908514 /nfs/dbraw/zinc/90/85/14/322908514.db2.gz WDVRBUOAKPNINI-UHFFFAOYSA-N 0 3 222.292 0.625 20 0 BCADHN COC[C@@H]1CCCN1CC(=O)N1CCC1 ZINC000674466673 487582512 /nfs/dbraw/zinc/58/25/12/487582512.db2.gz MQTNMXFNYVMAEK-JTQLQIEISA-N 0 3 212.293 0.330 20 0 BCADHN COC[C@H](N[C@H](C)CS(C)(=O)=O)C(C)C ZINC000083398808 322909704 /nfs/dbraw/zinc/90/97/04/322909704.db2.gz GNUDXOUKXXPFLI-ZJUUUORDSA-N 0 3 237.365 0.680 20 0 BCADHN C[C@@H](CN(C)C)NC[C@H](O)C(F)(F)F ZINC000130479201 487584333 /nfs/dbraw/zinc/58/43/33/487584333.db2.gz HRKJCPGEHOSIEW-BQBZGAKWSA-N 0 3 214.231 0.449 20 0 BCADHN CC(C)OC[C@@H](C)NCCCS(C)(=O)=O ZINC000336758086 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ICLQCSVRLRMZNV-WPRPVWTQSA-N 0 3 228.361 0.996 20 0 BCADHN COCCNCCNC(=O)c1ccc(OC)o1 ZINC000655452264 410292233 /nfs/dbraw/zinc/29/22/33/410292233.db2.gz VHWGLRYZJLUVJW-UHFFFAOYSA-N 0 3 242.275 0.254 20 0 BCADHN CC(C)[C@@H](C)NC(=O)CN[C@H](CO)C1CCC1 ZINC000661154847 410306513 /nfs/dbraw/zinc/30/65/13/410306513.db2.gz BWDNPURMJKQTNO-ZYHUDNBSSA-N 0 3 242.363 0.898 20 0 BCADHN CCN(C)C(=O)CN[C@H](CO)C1CCC1 ZINC000661155704 410309348 /nfs/dbraw/zinc/30/93/48/410309348.db2.gz QUIWCQABYZJCFU-SNVBAGLBSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@]1(C2CC2)CN(CCc2c[nH]nn2)CCO1 ZINC000661170760 410316840 /nfs/dbraw/zinc/31/68/40/410316840.db2.gz ICZHKRJBCHEKCH-LBPRGKRZSA-N 0 3 236.319 0.848 20 0 BCADHN C[C@]1(C2CC2)CN(C[C@@H]2CNC(=O)C2)CCO1 ZINC000661172214 410318601 /nfs/dbraw/zinc/31/86/01/410318601.db2.gz QQQQEBNJESBBGG-GXFFZTMASA-N 0 3 238.331 0.623 20 0 BCADHN NCc1cccc(NC(=O)[C@H]2CSCN2)c1 ZINC000130082752 410392374 /nfs/dbraw/zinc/39/23/74/410392374.db2.gz GUCCADXPLDZKDR-SNVBAGLBSA-N 0 3 237.328 0.746 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000130223740 410396621 /nfs/dbraw/zinc/39/66/21/410396621.db2.gz LWSIRDNPGNNWRT-OUAUKWLOSA-N 0 3 242.319 0.130 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@H](COC)CC1 ZINC000452077104 487616457 /nfs/dbraw/zinc/61/64/57/487616457.db2.gz FOQPJEZHEPMNFV-MNOVXSKESA-N 0 3 228.336 0.999 20 0 BCADHN COC[C@@H](CN1CCC[C@](CO)(OC)C1)OC ZINC000661384625 410599571 /nfs/dbraw/zinc/59/95/71/410599571.db2.gz IMPGMOXEEMMAES-NEPJUHHUSA-N 0 3 247.335 0.121 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000653275999 410563159 /nfs/dbraw/zinc/56/31/59/410563159.db2.gz TVEYKHZEXTVABB-XPUUQOCRSA-N 0 3 204.220 0.591 20 0 BCADHN CCN1C[C@@H](CNCc2cc[nH]n2)CC1=O ZINC000652001035 410563398 /nfs/dbraw/zinc/56/33/98/410563398.db2.gz LBRBPCJWNOENOJ-SECBINFHSA-N 0 3 222.292 0.368 20 0 BCADHN CC(C)(C)N1CC[C@@H](NS(=O)(=O)C2CC2)C1 ZINC000220129896 410668697 /nfs/dbraw/zinc/66/86/97/410668697.db2.gz ICARVZLXNIYXAE-SECBINFHSA-N 0 3 246.376 0.941 20 0 BCADHN CCN(CC)CC(=O)NC(C)(C)CO ZINC000332511264 169765535 /nfs/dbraw/zinc/76/55/35/169765535.db2.gz MHHYEEOCIRGSLV-UHFFFAOYSA-N 0 3 202.298 0.215 20 0 BCADHN CCNC(=O)CN1CCC[C@H](C)[C@H]1CCO ZINC000661491807 410706164 /nfs/dbraw/zinc/70/61/64/410706164.db2.gz VRHWBLUHNMNTTI-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN CCNC(=O)CN1CCC[C@@H](C)[C@H]1CCO ZINC000661491793 410706415 /nfs/dbraw/zinc/70/64/15/410706415.db2.gz VRHWBLUHNMNTTI-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000661499324 410710152 /nfs/dbraw/zinc/71/01/52/410710152.db2.gz BIDSPPNAUKGWBI-RTXFEEFZSA-N 0 3 240.347 0.822 20 0 BCADHN CC(C)(C)OCCN1CC[C@H](NC(N)=O)C1 ZINC000330534803 166682269 /nfs/dbraw/zinc/68/22/69/166682269.db2.gz VJXGNOLLEFOZEP-VIFPVBQESA-N 0 3 229.324 0.958 20 0 BCADHN CC[C@H](COC)NC1COCCOC1 ZINC000308451903 410716047 /nfs/dbraw/zinc/71/60/47/410716047.db2.gz BTMROKCADHPPRG-SECBINFHSA-N 0 3 203.282 0.416 20 0 BCADHN CCC[C@@H](CNCC(=O)NC1CC1)OC ZINC000393501967 410723731 /nfs/dbraw/zinc/72/37/31/410723731.db2.gz SUJQUVJBYCSODS-JTQLQIEISA-N 0 3 214.309 0.670 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@H](O)C2)C[C@@H](C)O1 ZINC000314404230 410739460 /nfs/dbraw/zinc/73/94/60/410739460.db2.gz RVYSYXPXDYXANB-UTUOFQBUSA-N 0 3 228.336 0.162 20 0 BCADHN CO[C@H](CC(=O)NCCN(C)C)C(F)(F)F ZINC000650988678 410679622 /nfs/dbraw/zinc/67/96/22/410679622.db2.gz NABRXTWREJQUPF-SSDOTTSWSA-N 0 3 242.241 0.632 20 0 BCADHN COCC[C@H](COC)NC[C@@H](O)C(F)(F)F ZINC000393750649 410756610 /nfs/dbraw/zinc/75/66/10/410756610.db2.gz ODFUKBDCZBESNV-HTQZYQBOSA-N 0 3 245.241 0.551 20 0 BCADHN CC(C)[C@@H](CO)CNC[C@H](O)C(F)(F)F ZINC000394038051 410771994 /nfs/dbraw/zinc/77/19/94/410771994.db2.gz NNLMQHIZAKPTAF-SFYZADRCSA-N 0 3 229.242 0.764 20 0 BCADHN CC(C)[C@H](CO)CNC[C@H](O)C(F)(F)F ZINC000394038054 410772003 /nfs/dbraw/zinc/77/20/03/410772003.db2.gz NNLMQHIZAKPTAF-YUMQZZPRSA-N 0 3 229.242 0.764 20 0 BCADHN Cc1cnc(CCNC(=O)CN)c(C)c1 ZINC000655488566 410798626 /nfs/dbraw/zinc/79/86/26/410798626.db2.gz HXLQLRSLERHLLM-UHFFFAOYSA-N 0 3 207.277 0.316 20 0 BCADHN CC[C@H](N)C(=O)NCC1(COC)CC1 ZINC000655490153 410803432 /nfs/dbraw/zinc/80/34/32/410803432.db2.gz GEUISLFIVHHMPC-QMMMGPOBSA-N 0 3 200.282 0.267 20 0 BCADHN COc1c(C)cccc1CNC(=O)[C@H](C)N ZINC000655490581 410806873 /nfs/dbraw/zinc/80/68/73/410806873.db2.gz MFRVFBOTGTYGRL-VIFPVBQESA-N 0 3 222.288 0.967 20 0 BCADHN C[C@H](CCO)N(C)C(=O)NC[C@H](C)N(C)C ZINC000651137988 410831850 /nfs/dbraw/zinc/83/18/50/410831850.db2.gz VCYXDARQEIVMMJ-ZJUUUORDSA-N 0 3 231.340 0.349 20 0 BCADHN C[C@H](N)C(=O)N1CCOc2ccccc2C1 ZINC000040677765 410885083 /nfs/dbraw/zinc/88/50/83/410885083.db2.gz KVINRBAVLDEXGN-VIFPVBQESA-N 0 3 220.272 0.755 20 0 BCADHN C[C@@H]1CN(CCN2CC[C@](C)(O)C2)C[C@H](C)O1 ZINC000314534795 410850322 /nfs/dbraw/zinc/85/03/22/410850322.db2.gz HVHABOXOYBBESF-XQQFMLRXSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H](NCC(=O)Nc1ccccc1)[C@H](C)O ZINC000395773928 410861470 /nfs/dbraw/zinc/86/14/70/410861470.db2.gz SLLOAVZHXCRTDL-ZJUUUORDSA-N 0 3 222.288 0.984 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H]1CCCN(C)C1 ZINC000040673672 410884629 /nfs/dbraw/zinc/88/46/29/410884629.db2.gz BEZIYXRYOQMVKT-VHSXEESVSA-N 0 3 213.325 0.180 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ccc(NC(C)=O)cc1 ZINC000040834303 410890553 /nfs/dbraw/zinc/89/05/53/410890553.db2.gz RVCYPQBAEZPOGT-GFCCVEGCSA-N 0 3 249.314 0.999 20 0 BCADHN COCCOCCCNC(=O)[C@H](N)CC(C)C ZINC000040829893 410891907 /nfs/dbraw/zinc/89/19/07/410891907.db2.gz VBLQIKVCTXNMDC-LLVKDONJSA-N 0 3 246.351 0.529 20 0 BCADHN CNC(=O)Cc1ccc(NC(=O)C(C)(C)N)cc1 ZINC000040921940 410897920 /nfs/dbraw/zinc/89/79/20/410897920.db2.gz HPKJUSXANNYUIE-UHFFFAOYSA-N 0 3 249.314 0.651 20 0 BCADHN CC(C)COC1CCN([C@@H]2COC[C@@H]2O)CC1 ZINC000340291907 167023096 /nfs/dbraw/zinc/02/30/96/167023096.db2.gz YDAFAZKWCRATGE-OLZOCXBDSA-N 0 3 243.347 0.883 20 0 BCADHN CC(C)COC1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000331468640 167023257 /nfs/dbraw/zinc/02/32/57/167023257.db2.gz VYPFLRDDDTUNGV-NEPJUHHUSA-N 0 3 240.347 0.997 20 0 BCADHN CC(C)N1CC[C@H](N2CCC[C@@H](CO)C2)C1=O ZINC000304697654 167024529 /nfs/dbraw/zinc/02/45/29/167024529.db2.gz ISKRQLFURFGJPL-NEPJUHHUSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)N1C[C@H](NC(=O)c2cnccn2)[C@@H](C)C1 ZINC000155802281 167033731 /nfs/dbraw/zinc/03/37/31/167033731.db2.gz UVJOBPWJLXXYNU-JQWIXIFHSA-N 0 3 248.330 0.935 20 0 BCADHN CC(C)NC(=O)CCN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339624214 167042811 /nfs/dbraw/zinc/04/28/11/167042811.db2.gz XPIQWIOTDXHNDZ-TXEJJXNPSA-N 0 3 241.379 0.926 20 0 BCADHN CC(C)NC(=O)CCN[C@@H](C)c1ccnn1C ZINC000192252740 167044767 /nfs/dbraw/zinc/04/47/67/167044767.db2.gz IFSUMEZXYVMFBV-JTQLQIEISA-N 0 3 238.335 0.985 20 0 BCADHN CC(C)NC(=O)CN(C)CCN1CCCCC1 ZINC000356929831 167049824 /nfs/dbraw/zinc/04/98/24/167049824.db2.gz WNQWGRSTTLGINL-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN CC(C)NC(=O)CN(CCO)[C@@H]1CC[C@@H](C)C1 ZINC000331151582 167051855 /nfs/dbraw/zinc/05/18/55/167051855.db2.gz CAIBQOIMGPRCDC-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)NC(=O)CN[C@H](C)CCn1cccn1 ZINC000157506347 167060367 /nfs/dbraw/zinc/06/03/67/167060367.db2.gz KFTAPQFWIQXQDL-LLVKDONJSA-N 0 3 238.335 0.776 20 0 BCADHN CC(C)NCC(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000037477162 167097352 /nfs/dbraw/zinc/09/73/52/167097352.db2.gz MILMAMXZNXDGOS-VHSXEESVSA-N 0 3 214.309 0.620 20 0 BCADHN Cc1nccc(C(=O)N2C[C@H](C)NC[C@@H]2C)n1 ZINC000396907692 410904559 /nfs/dbraw/zinc/90/45/59/410904559.db2.gz GFVMKFIZEHPKSG-IUCAKERBSA-N 0 3 234.303 0.607 20 0 BCADHN CC(C)NCCS(=O)(=O)NC(C)C ZINC000049631920 167108317 /nfs/dbraw/zinc/10/83/17/167108317.db2.gz PORWSMOCCIBKCV-UHFFFAOYSA-N 0 3 208.327 0.312 20 0 BCADHN Cc1nccc(C(=O)N2CCNCC2(C)C)n1 ZINC000396878874 410905879 /nfs/dbraw/zinc/90/58/79/410905879.db2.gz ATZUILBNGBUSDC-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN Cc1nccc(C(=O)N2CCN[C@H](C)[C@H]2C)n1 ZINC000396918022 410907861 /nfs/dbraw/zinc/90/78/61/410907861.db2.gz MEQJEQWBGGDMRT-RKDXNWHRSA-N 0 3 234.303 0.607 20 0 BCADHN CC(C)OCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000163224817 167184504 /nfs/dbraw/zinc/18/45/04/167184504.db2.gz BMXOPWUXFWIYJY-NXEZZACHSA-N 0 3 214.309 0.620 20 0 BCADHN CC(C)OC(=O)[C@@H](C)CNC(=O)C1(N)CC1 ZINC000161711641 167165111 /nfs/dbraw/zinc/16/51/11/167165111.db2.gz ZOJKAUJUTHLJBA-QMMMGPOBSA-N 0 3 228.292 0.182 20 0 BCADHN CC(C)OCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000122611670 167178384 /nfs/dbraw/zinc/17/83/84/167178384.db2.gz QVRQSSOREUGQSR-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)OCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000122611869 167178604 /nfs/dbraw/zinc/17/86/04/167178604.db2.gz QVRQSSOREUGQSR-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)OCCCNC(=O)C1(N)CC1 ZINC000083343422 167218116 /nfs/dbraw/zinc/21/81/16/167218116.db2.gz ZQMVTUQFNIKMBK-UHFFFAOYSA-N 0 3 200.282 0.409 20 0 BCADHN CC(C)OCCCN[C@@H](CO)c1cnn(C)c1 ZINC000275245799 167223036 /nfs/dbraw/zinc/22/30/36/167223036.db2.gz XTGGHNLKKWOJSQ-LBPRGKRZSA-N 0 3 241.335 0.858 20 0 BCADHN CC(C)OCCN(CCO)[C@@H]1CCO[C@H]1C ZINC000361557814 167228235 /nfs/dbraw/zinc/22/82/35/167228235.db2.gz SUTGORVSMRQMDJ-NWDGAFQWSA-N 0 3 231.336 0.883 20 0 BCADHN CC(C)OCCNC(=O)N[C@H](C)CN(C)C ZINC000355068676 167239862 /nfs/dbraw/zinc/23/98/62/167239862.db2.gz AIYKFSFSIQYQLO-SNVBAGLBSA-N 0 3 231.340 0.661 20 0 BCADHN CC(C)OC[C@H](C)N[C@H]1CCCNC1=O ZINC000336749111 167267526 /nfs/dbraw/zinc/26/75/26/167267526.db2.gz DWFXYXUFYXGQCT-UWVGGRQHSA-N 0 3 214.309 0.668 20 0 BCADHN CC(C)OC[C@H](O)CN[C@H](C)c1cn[nH]c1 ZINC000274109488 167269136 /nfs/dbraw/zinc/26/91/36/167269136.db2.gz TZAJURDFACUCBK-MWLCHTKSSA-N 0 3 227.308 0.846 20 0 BCADHN CC(C)O[C@@H]1C[C@H](N[C@@H]2COC[C@H]2O)C1(C)C ZINC000331612914 167282570 /nfs/dbraw/zinc/28/25/70/167282570.db2.gz WSIVVEATRBVNRS-WISYIIOYSA-N 0 3 243.347 0.928 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)Cc1ncc[nH]1)N(C)C ZINC000331173097 167341813 /nfs/dbraw/zinc/34/18/13/167341813.db2.gz WCHHGEQACTVPJE-NSHDSACASA-N 0 3 238.335 0.954 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCOCC1)N(C)C ZINC000129541938 167342150 /nfs/dbraw/zinc/34/21/50/167342150.db2.gz NEQSEJCSWRFIKW-JTQLQIEISA-N 0 3 214.309 0.431 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@@H](O)C(F)F)N(C)C ZINC000355128831 167342883 /nfs/dbraw/zinc/34/28/83/167342883.db2.gz HZOQHZYPCHOQPV-SFYZADRCSA-N 0 3 238.278 0.315 20 0 BCADHN CC(C)[C@@H](C(=O)NCCn1ccnc1)N(C)C ZINC000106906603 167343478 /nfs/dbraw/zinc/34/34/78/167343478.db2.gz ANYMJRNIRGZGHD-NSHDSACASA-N 0 3 238.335 0.586 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H]1C[C@@](C)(O)C1)N(C)C ZINC000332069186 167343899 /nfs/dbraw/zinc/34/38/99/167343899.db2.gz ULEVPFJQLXZBIV-JBLDHEPKSA-N 0 3 228.336 0.602 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H]1[C@@H]2COC[C@@H]21)N(C)C ZINC000357907686 167343926 /nfs/dbraw/zinc/34/39/26/167343926.db2.gz JOIHSTSQGMSWLO-ZDCRXTMVSA-N 0 3 226.320 0.334 20 0 BCADHN CC(C)[C@@H](C(=O)NCc1ncn(C)n1)N(C)C ZINC000132281868 167344087 /nfs/dbraw/zinc/34/40/87/167344087.db2.gz DJNJWVZPFYTJGY-JTQLQIEISA-N 0 3 239.323 0.018 20 0 BCADHN CC(C)[C@@H](C(=O)NCc1c[nH]cn1)N(C)C ZINC000331182744 167344395 /nfs/dbraw/zinc/34/43/95/167344395.db2.gz RXOHMTZXTXHFRI-JTQLQIEISA-N 0 3 224.308 0.612 20 0 BCADHN CC(C)[C@@H](C(=O)NCc1ccnn1C)N(C)C ZINC000106905109 167344653 /nfs/dbraw/zinc/34/46/53/167344653.db2.gz ZMGUFTIZQRFEDQ-NSHDSACASA-N 0 3 238.335 0.623 20 0 BCADHN CC(C)[C@@H](C(=O)NCc1cnn(C)c1)N(C)C ZINC000269222046 167345041 /nfs/dbraw/zinc/34/50/41/167345041.db2.gz VLBWYXMOQRWLLM-NSHDSACASA-N 0 3 238.335 0.623 20 0 BCADHN Cc1cc(CC(=O)N[C@H]2CCCN(C)C2)n[nH]1 ZINC000674794065 487619621 /nfs/dbraw/zinc/61/96/21/487619621.db2.gz BBHVFAVQKCSNQT-JTQLQIEISA-N 0 3 236.319 0.471 20 0 BCADHN Cc1cc(CC(=O)N[C@H]2CCCN(C)C2)[nH]n1 ZINC000674794065 487619623 /nfs/dbraw/zinc/61/96/23/487619623.db2.gz BBHVFAVQKCSNQT-JTQLQIEISA-N 0 3 236.319 0.471 20 0 BCADHN CC(C)[C@@H](C)CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358060775 167358058 /nfs/dbraw/zinc/35/80/58/167358058.db2.gz GAOSKLYMABKRSD-WCQYABFASA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)[C@@H](C)NC(=O)[C@]1(F)CCNC1 ZINC000307363168 167378822 /nfs/dbraw/zinc/37/88/22/167378822.db2.gz HIEJEIXOLUFUEQ-SCZZXKLOSA-N 0 3 202.273 0.849 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)C1CCN(C)CC1 ZINC000361315004 167390579 /nfs/dbraw/zinc/39/05/79/167390579.db2.gz HKTOSTUHUWMVOC-GFCCVEGCSA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)[C@@H](N)CC(F)F ZINC000336643511 167390989 /nfs/dbraw/zinc/39/09/89/167390989.db2.gz AXSBBJTYYAYBFW-JGVFFNPUSA-N 0 3 238.278 0.492 20 0 BCADHN CCN(CC)[C@@H](C)CNS(=O)(=O)N(C)C ZINC000036076755 169795946 /nfs/dbraw/zinc/79/59/46/169795946.db2.gz DDARRBZVDXWLCS-VIFPVBQESA-N 0 3 237.369 0.113 20 0 BCADHN CNCC(=O)N[C@H](C)Cc1ccccn1 ZINC000655497244 410955846 /nfs/dbraw/zinc/95/58/46/410955846.db2.gz PSACPPPGCRCVGK-SECBINFHSA-N 0 3 207.277 0.348 20 0 BCADHN CC[C@H](O)CCCNC(=O)COC1(C)CNC1 ZINC000398449207 410964228 /nfs/dbraw/zinc/96/42/28/410964228.db2.gz AVLMGHPKWLKLJI-JTQLQIEISA-N 0 3 244.335 0.032 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc(C)n(C(C)C)n1 ZINC000578764380 410964825 /nfs/dbraw/zinc/96/48/25/410964825.db2.gz HPDBRSNIHCRYOH-VIFPVBQESA-N 0 3 224.308 1.319 20 0 BCADHN Cc1n[nH]c(C)c1CN[C@H](CO)CCF ZINC000652017318 410982003 /nfs/dbraw/zinc/98/20/03/410982003.db2.gz SSDAFKKRCBACHO-VIFPVBQESA-N 0 3 215.272 0.837 20 0 BCADHN CCn1nccc1CN[C@H](CO)CCF ZINC000652019445 411002669 /nfs/dbraw/zinc/00/26/69/411002669.db2.gz RJZWWUZVOMEFHP-VIFPVBQESA-N 0 3 215.272 0.713 20 0 BCADHN CCO[C@H]1CCCN(C(=O)CNC)C1 ZINC000042424868 411003487 /nfs/dbraw/zinc/00/34/87/411003487.db2.gz QUKNAUCJFCUCQH-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN N[C@H](C(=O)NCc1ccncc1)C1CCC1 ZINC000399011622 411005062 /nfs/dbraw/zinc/00/50/62/411005062.db2.gz YBYIPZBPMVESSO-NSHDSACASA-N 0 3 219.288 0.825 20 0 BCADHN CNC(=O)C(C)(C)CNC(=O)[C@H](N)C1CCC1 ZINC000399090526 411014770 /nfs/dbraw/zinc/01/47/70/411014770.db2.gz TVCPDDKZHCOGJZ-SECBINFHSA-N 0 3 241.335 0.002 20 0 BCADHN CN(Cc1cn[nH]c1)C(=O)[C@H](N)C1CCC1 ZINC000399051501 411011465 /nfs/dbraw/zinc/01/14/65/411011465.db2.gz VRFZSPDPNGXAPW-SNVBAGLBSA-N 0 3 222.292 0.496 20 0 BCADHN CN(C)C(=O)CCCNC(=O)[C@@H](N)C1CCC1 ZINC000399046510 411011610 /nfs/dbraw/zinc/01/16/10/411011610.db2.gz SUDIGUBKQZNAHY-NSHDSACASA-N 0 3 241.335 0.098 20 0 BCADHN CC(C)[C@](C)(O)C(=O)N[C@@H](C)CN(C)C ZINC000332522620 167532081 /nfs/dbraw/zinc/53/20/81/167532081.db2.gz SNEFCKUPCVMSRH-ONGXEEELSA-N 0 3 216.325 0.460 20 0 BCADHN CN(C)Cc1cccc(NC(=O)NCCO)c1 ZINC000042874760 411053738 /nfs/dbraw/zinc/05/37/38/411053738.db2.gz FUWRCKADMXTCQQ-UHFFFAOYSA-N 0 3 237.303 0.862 20 0 BCADHN COC[C@H](C)CC(=O)N[C@@H]1CCCN(C)C1 ZINC000674795702 487620351 /nfs/dbraw/zinc/62/03/51/487620351.db2.gz XAXZMXVRUWDHMD-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H]1CN(CC(=O)N2CCC2)C[C@H](C)C1O ZINC000661625197 411085902 /nfs/dbraw/zinc/08/59/02/411085902.db2.gz SECYVEXOCVYOEU-UWVGGRQHSA-N 0 3 226.320 0.167 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](C)Cc1ccccn1 ZINC000655499570 411031023 /nfs/dbraw/zinc/03/10/23/411031023.db2.gz MVGFUWAWMUQZDX-UWVGGRQHSA-N 0 3 221.304 0.737 20 0 BCADHN O=C1[C@@H](NC2CSC2)C[C@@H]2CCCCN12 ZINC000651608528 411129883 /nfs/dbraw/zinc/12/98/83/411129883.db2.gz HPOLHQHKJAJCKG-UWVGGRQHSA-N 0 3 226.345 0.845 20 0 BCADHN O=C1CC[C@@H](CN2CCC(CCO)CC2)N1 ZINC000400939498 411163335 /nfs/dbraw/zinc/16/33/35/411163335.db2.gz RWRXOABJXCOSBO-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN O[C@H]1CCN(CCNc2ccnc(C3CC3)n2)C1 ZINC000624774854 411139149 /nfs/dbraw/zinc/13/91/49/411139149.db2.gz RWSKMTGGXQDSQR-NSHDSACASA-N 0 3 248.330 0.833 20 0 BCADHN CN(CC(C)(C)C)C(=O)CN1CCNCC1 ZINC000045087944 411144002 /nfs/dbraw/zinc/14/40/02/411144002.db2.gz SKDSWANDLUCBOA-UHFFFAOYSA-N 0 3 227.352 0.396 20 0 BCADHN COC[C@@H]1C[C@@H](O)CN1Cc1ccncc1C ZINC000651937271 411152477 /nfs/dbraw/zinc/15/24/77/411152477.db2.gz AKIWULSXHSTBKT-QWHCGFSZSA-N 0 3 236.315 0.972 20 0 BCADHN C[C@H](Cn1cncn1)N[C@@H](CO)c1ccccc1 ZINC000657883576 411152652 /nfs/dbraw/zinc/15/26/52/411152652.db2.gz CMUHLMHFRWWWFZ-YPMHNXCESA-N 0 3 246.314 0.990 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2cccc3c2OCO3)C1 ZINC000651941765 411154007 /nfs/dbraw/zinc/15/40/07/411154007.db2.gz JIIKGUSMHFLIJQ-AOOOYVTPSA-N 0 3 248.282 0.769 20 0 BCADHN CCOC[C@H]1CCN([C@H]2CCN(CC)C2=O)C1 ZINC000659981949 411154283 /nfs/dbraw/zinc/15/42/83/411154283.db2.gz AQKFRPJSAUUBIA-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN C=Cn1cc(CN[C@H]2C[C@@H](C(N)=O)C2)cn1 ZINC000651939203 411154363 /nfs/dbraw/zinc/15/43/63/411154363.db2.gz XSMQNEXZTIKJAP-AOOOYVTPSA-N 0 3 220.276 0.337 20 0 BCADHN CC[C@@H](C)NC(=O)N[C@@H](CN)C(F)(F)F ZINC000655910218 411156513 /nfs/dbraw/zinc/15/65/13/411156513.db2.gz OQUCZSVEJHUKKJ-RITPCOANSA-N 0 3 227.230 0.974 20 0 BCADHN Cc1c[nH]nc1CNCC[C@@]1(O)CCOC1 ZINC000651945390 411156894 /nfs/dbraw/zinc/15/68/94/411156894.db2.gz ZWGPSBZXBGDBIM-LLVKDONJSA-N 0 3 225.292 0.349 20 0 BCADHN CCOCCNC(=O)N[C@H](CN)C(F)(F)F ZINC000655912331 411157406 /nfs/dbraw/zinc/15/74/06/411157406.db2.gz TVLSMEOJQQDOHG-ZCFIWIBFSA-N 0 3 243.229 0.212 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)[C@@H]1NCC1(C)C ZINC000309514051 411157636 /nfs/dbraw/zinc/15/76/36/411157636.db2.gz QRKILVSZZDKQIM-BDAKNGLRSA-N 0 3 214.309 0.214 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1cc[nH]n1 ZINC000309518244 411158441 /nfs/dbraw/zinc/15/84/41/411158441.db2.gz SKRVQTBWGVOPGZ-MRVPVSSYSA-N 0 3 208.265 0.024 20 0 BCADHN Cc1nocc1CNCC[C@]1(O)CCOC1 ZINC000651944974 411158554 /nfs/dbraw/zinc/15/85/54/411158554.db2.gz LZYJBKIPROZAGW-NSHDSACASA-N 0 3 226.276 0.614 20 0 BCADHN C[C@@H](NC(=O)N[C@H](CN)C(F)(F)F)C1CC1 ZINC000655926989 411159636 /nfs/dbraw/zinc/15/96/36/411159636.db2.gz MDBWCZUEASQWAS-IYSWYEEDSA-N 0 3 239.241 0.974 20 0 BCADHN O=C1NCC[C@@H]1N1CCC[C@](O)(C2CC2)C1 ZINC000661627529 411100005 /nfs/dbraw/zinc/10/00/05/411100005.db2.gz JBIKAQATXCGLGV-CMPLNLGQSA-N 0 3 224.304 0.112 20 0 BCADHN O=C1NCC[C@H]1N1CCC[C@@](O)(C2CC2)C1 ZINC000661627535 411100779 /nfs/dbraw/zinc/10/07/79/411100779.db2.gz JBIKAQATXCGLGV-PWSUYJOCSA-N 0 3 224.304 0.112 20 0 BCADHN C[C@H](CCO)N(C)Cc1ccc(CO)o1 ZINC000652048777 411101252 /nfs/dbraw/zinc/10/12/52/411101252.db2.gz ULYRRZVIMVYLLD-SECBINFHSA-N 0 3 213.277 0.975 20 0 BCADHN CC[C@@H](N)C(=O)NCc1csc(N(C)C)n1 ZINC000130531486 411119568 /nfs/dbraw/zinc/11/95/68/411119568.db2.gz HWQGRICZVTYZCF-MRVPVSSYSA-N 0 3 242.348 0.563 20 0 BCADHN O=C1CCCN1CCN1CCCCC[C@@H]1CO ZINC000653781406 411170218 /nfs/dbraw/zinc/17/02/18/411170218.db2.gz HJXKNILEWHVEKQ-GFCCVEGCSA-N 0 3 240.347 0.846 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000192593660 411242473 /nfs/dbraw/zinc/24/24/73/411242473.db2.gz ZKYWOSGBUIMCSN-RWMBFGLXSA-N 0 3 248.326 0.888 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1CCC(CCO)CC1 ZINC000401020234 411173601 /nfs/dbraw/zinc/17/36/01/411173601.db2.gz KKRYBWUHZOYESE-GFCCVEGCSA-N 0 3 242.363 0.981 20 0 BCADHN CO[C@@H](CN(CCO)CCO)C1CCC1 ZINC000659879930 411177642 /nfs/dbraw/zinc/17/76/42/411177642.db2.gz ZFRIGDQKUXBBJR-NSHDSACASA-N 0 3 217.309 0.088 20 0 BCADHN OCCN(CCO)Cc1ccc2c[nH]nc2c1 ZINC000659879923 411178047 /nfs/dbraw/zinc/17/80/47/411178047.db2.gz ZDEHJINJJMXUMI-UHFFFAOYSA-N 0 3 235.287 0.350 20 0 BCADHN C[C@H](c1ccncc1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000653687301 411179154 /nfs/dbraw/zinc/17/91/54/411179154.db2.gz YQYMZUSKGQSESR-WXHSDQCUSA-N 0 3 235.331 0.749 20 0 BCADHN C[C@@H](c1ccncc1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000653687300 411179301 /nfs/dbraw/zinc/17/93/01/411179301.db2.gz YQYMZUSKGQSESR-DRZSPHRISA-N 0 3 235.331 0.749 20 0 BCADHN COc1ccc(CN[C@H]2CCCNC(=O)C2)cn1 ZINC000111826955 411181389 /nfs/dbraw/zinc/18/13/89/411181389.db2.gz BRVSMPHUDBYPNK-NSHDSACASA-N 0 3 249.314 0.849 20 0 BCADHN COC[C@@H](CN[C@H]1CCCn2nccc21)OC ZINC000657968686 411182266 /nfs/dbraw/zinc/18/22/66/411182266.db2.gz CXLDEGOEFQXUSM-MNOVXSKESA-N 0 3 239.319 0.969 20 0 BCADHN C[C@H](N[C@@H]1CCCN2CCCC[C@@H]12)C(N)=O ZINC000656129915 411184230 /nfs/dbraw/zinc/18/42/30/411184230.db2.gz OWICPDAMZHLWGN-AXFHLTTASA-N 0 3 225.336 0.467 20 0 BCADHN CC[C@H](C)OCC(=O)N[C@H](CN)C(F)(F)F ZINC000655515683 411186304 /nfs/dbraw/zinc/18/63/04/411186304.db2.gz OYYLZRUTMINMIP-NKWVEPMBSA-N 0 3 242.241 0.807 20 0 BCADHN CCN(C)C(=O)CN[C@H]1COC2(CCC2)C1 ZINC000657981931 411187592 /nfs/dbraw/zinc/18/75/92/411187592.db2.gz WPSCENKWTIEBBX-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CN(C[C@H](O)CN1CC2(CC2(F)F)C1)C1CC1 ZINC000656153874 411188264 /nfs/dbraw/zinc/18/82/64/411188264.db2.gz DMWWJZQBEQLDLG-JTQLQIEISA-N 0 3 246.301 0.783 20 0 BCADHN CN(C(=O)[C@@H]1CNCCC1(F)F)C1CC1 ZINC000309622158 411188362 /nfs/dbraw/zinc/18/83/62/411188362.db2.gz HSJNUVIZYWIIGA-QMMMGPOBSA-N 0 3 218.247 0.852 20 0 BCADHN CCC(C)(C)N1CCN([C@H]2CCNC2=O)CC1 ZINC000653809576 411188759 /nfs/dbraw/zinc/18/87/59/411188759.db2.gz DPWYEHICWWUMPE-NSHDSACASA-N 0 3 239.363 0.681 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@H](C)Cn1cncn1 ZINC000657989964 411191299 /nfs/dbraw/zinc/19/12/99/411191299.db2.gz PMYZZCYVFOAGEE-NXEZZACHSA-N 0 3 239.323 0.123 20 0 BCADHN CCN1C[C@H](CN[C@@H]2CCn3ccnc32)CC1=O ZINC000652300837 411191974 /nfs/dbraw/zinc/19/19/74/411191974.db2.gz MKZQOOAPUNSTJM-WDEREUQCSA-N 0 3 248.330 0.786 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(CO)C1 ZINC000620455833 411193090 /nfs/dbraw/zinc/19/30/90/411193090.db2.gz PMWSTZAWUZZOIO-YPMHNXCESA-N 0 3 242.363 0.805 20 0 BCADHN Cc1ccc(CNC[C@@H]2CCC(=O)N2)o1 ZINC000070627948 411193175 /nfs/dbraw/zinc/19/31/75/411193175.db2.gz AJXFWLYVKLXTJZ-VIFPVBQESA-N 0 3 208.261 0.956 20 0 BCADHN C[C@H](CCCO)NC(=O)[C@H]1NCC1(C)C ZINC000310004072 411194572 /nfs/dbraw/zinc/19/45/72/411194572.db2.gz FYFYTYQIHPEQBW-RKDXNWHRSA-N 0 3 214.309 0.262 20 0 BCADHN C[C@@H](O)CNCC(=O)N(C)C1CCCCC1 ZINC000309961540 411194763 /nfs/dbraw/zinc/19/47/63/411194763.db2.gz LKYDRKQSXCINNM-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN O=C(CN[C@@H]1COC2(CCC2)C1)NCC(F)F ZINC000658003139 411195182 /nfs/dbraw/zinc/19/51/82/411195182.db2.gz WTPKDCWLOZKXCA-QMMMGPOBSA-N 0 3 248.273 0.669 20 0 BCADHN CCN1OC[C@H](N2C[C@H]3COC[C@@]3(C)C2)C1=O ZINC000661700859 411196555 /nfs/dbraw/zinc/19/65/55/411196555.db2.gz HWMRXEKPZKNMJP-JBLDHEPKSA-N 0 3 240.303 0.117 20 0 BCADHN CC[C@H](C)NC(=O)CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000661701087 411197161 /nfs/dbraw/zinc/19/71/61/411197161.db2.gz YKLJVGXFFDQORG-DMDPSCGWSA-N 0 3 240.347 0.869 20 0 BCADHN NC(=O)[C@]1(NCC2CC(F)(F)C2)CCOC1 ZINC000653847426 411198901 /nfs/dbraw/zinc/19/89/01/411198901.db2.gz WVVZJEBKNSBFAV-VIFPVBQESA-N 0 3 234.246 0.266 20 0 BCADHN COc1c(C)ncnc1N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000656195699 411200669 /nfs/dbraw/zinc/20/06/69/411200669.db2.gz CIGKGWAKQGXVFZ-WDEREUQCSA-N 0 3 248.330 0.934 20 0 BCADHN C[C@H](NCC[C@@]1(O)CCCOC1)c1cn[nH]c1 ZINC000652326813 411201164 /nfs/dbraw/zinc/20/11/64/411201164.db2.gz NNGFELCYQZRSRQ-JQWIXIFHSA-N 0 3 239.319 0.992 20 0 BCADHN C[C@@H](CNC(=O)N(C)C[C@H](O)C1CC1)N(C)C ZINC000656196661 411201845 /nfs/dbraw/zinc/20/18/45/411201845.db2.gz JHPGQYIWJGHBNO-ONGXEEELSA-N 0 3 243.351 0.349 20 0 BCADHN CC[C@@H](NCC(N)=O)[C@H]1CCCCO1 ZINC000653880783 411207258 /nfs/dbraw/zinc/20/72/58/411207258.db2.gz RGGMVZNZHKTYAZ-RKDXNWHRSA-N 0 3 200.282 0.409 20 0 BCADHN C[C@]1(CN[C@H]2CCCn3nccc32)CCC(=O)N1 ZINC000658033579 411208446 /nfs/dbraw/zinc/20/84/46/411208446.db2.gz YTCBNLSEPGQAQI-GXFFZTMASA-N 0 3 248.330 0.976 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@H](C)Cn1cncn1 ZINC000658032632 411210708 /nfs/dbraw/zinc/21/07/08/411210708.db2.gz VHAMFFDEXMEWJO-GMTAPVOTSA-N 0 3 240.307 0.060 20 0 BCADHN NC[C@H](NC(=O)[C@H]1CC12CC2)C(F)(F)F ZINC000655519250 411210981 /nfs/dbraw/zinc/21/09/81/411210981.db2.gz QTCCQHUQYNZSPY-RITPCOANSA-N 0 3 222.210 0.792 20 0 BCADHN NC[C@@H](NC(=O)[C@H]1CC12CC2)C(F)(F)F ZINC000655519249 411211129 /nfs/dbraw/zinc/21/11/29/411211129.db2.gz QTCCQHUQYNZSPY-PHDIDXHHSA-N 0 3 222.210 0.792 20 0 BCADHN Cc1cnc(N2CCN3C[C@H](O)C[C@H]3C2)s1 ZINC000656219065 411212084 /nfs/dbraw/zinc/21/20/84/411212084.db2.gz MEUVOZHKHNEABG-VHSXEESVSA-N 0 3 239.344 0.707 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1N[C@@H]1C[C@H](C)n2ncnc21 ZINC000658102353 411246227 /nfs/dbraw/zinc/24/62/27/411246227.db2.gz OJBUJUVRPJXLKU-YTWAJWBKSA-N 0 3 235.335 0.824 20 0 BCADHN C[C@@H](O)CN(CCn1cccn1)C1CC1 ZINC000653897884 411214752 /nfs/dbraw/zinc/21/47/52/411214752.db2.gz BHOLXWRPVOFDFO-SNVBAGLBSA-N 0 3 209.293 0.728 20 0 BCADHN CC[C@H](NC(=O)C1(N)CC1)[C@H]1CCCCO1 ZINC000656231266 411215593 /nfs/dbraw/zinc/21/55/93/411215593.db2.gz DOMQLUBOQXXRQQ-VHSXEESVSA-N 0 3 226.320 0.942 20 0 BCADHN C[C@H](O)CN(CCCCS(C)(=O)=O)C1CC1 ZINC000653898861 411216491 /nfs/dbraw/zinc/21/64/91/411216491.db2.gz ROCNYTDEYMOEOL-JTQLQIEISA-N 0 3 249.376 0.656 20 0 BCADHN C[C@H](O)CN(C[C@@H]1COCCO1)C1CC1 ZINC000653903171 411218921 /nfs/dbraw/zinc/21/89/21/411218921.db2.gz GFZLJSPLOCTLEL-GXSJLCMTSA-N 0 3 215.293 0.247 20 0 BCADHN C[C@H](O)CN(C[C@H]1COCCO1)C1CC1 ZINC000653903174 411218939 /nfs/dbraw/zinc/21/89/39/411218939.db2.gz GFZLJSPLOCTLEL-ONGXEEELSA-N 0 3 215.293 0.247 20 0 BCADHN Cc1occc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000656274214 411223287 /nfs/dbraw/zinc/22/32/87/411223287.db2.gz XVYUWBOKOQDGDE-QWHCGFSZSA-N 0 3 236.315 0.839 20 0 BCADHN CNC(=O)CCCN(C(C)C)C1COC1 ZINC000653711977 411224060 /nfs/dbraw/zinc/22/40/60/411224060.db2.gz CTXFAJKOAWFQOF-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@H](NC[C@](C)(CO)OC)c1cnn(C)c1 ZINC000655784603 411224444 /nfs/dbraw/zinc/22/44/44/411224444.db2.gz DIIGTVFLDWWPIG-VXGBXAGGSA-N 0 3 241.335 0.858 20 0 BCADHN OCCn1cc(CCN2CCCCC2)nn1 ZINC000656435580 411247426 /nfs/dbraw/zinc/24/74/26/411247426.db2.gz AHWGEIPALATLQN-UHFFFAOYSA-N 0 3 224.308 0.299 20 0 BCADHN CC(C)OCCN1CCC[C@]12CCNC2=O ZINC000653713413 411231975 /nfs/dbraw/zinc/23/19/75/411231975.db2.gz JQHJYIYGFULUSO-GFCCVEGCSA-N 0 3 226.320 0.766 20 0 BCADHN CCN(CCOCCO)[C@@H]1COC(C)(C)C1 ZINC000660478423 411232399 /nfs/dbraw/zinc/23/23/99/411232399.db2.gz BORPMVQDXXOWSW-NSHDSACASA-N 0 3 231.336 0.885 20 0 BCADHN OCCCn1cc(CCN2CCCCC2)nn1 ZINC000656435154 411247825 /nfs/dbraw/zinc/24/78/25/411247825.db2.gz GWTNLVBJZKPDJW-UHFFFAOYSA-N 0 3 238.335 0.689 20 0 BCADHN CN1CCC(NC(=O)NCC2CC2)CC1 ZINC000047886138 411166678 /nfs/dbraw/zinc/16/66/78/411166678.db2.gz LTQUAOOBFNFTNL-UHFFFAOYSA-N 0 3 211.309 0.790 20 0 BCADHN C[C@@H](Cn1cncn1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000657922092 411166882 /nfs/dbraw/zinc/16/68/82/411166882.db2.gz FWDLPGOLNURBMV-UWVGGRQHSA-N 0 3 249.318 0.020 20 0 BCADHN C[C@@H](N[C@@H]1COC2(CCC2)C1)C(=O)N(C)C ZINC000657923210 411167515 /nfs/dbraw/zinc/16/75/15/411167515.db2.gz BQDODIZAQFOILU-ZJUUUORDSA-N 0 3 226.320 0.764 20 0 BCADHN Cc1c[nH]nc1CNCC1(CO)CCOCC1 ZINC000352827065 411262507 /nfs/dbraw/zinc/26/25/07/411262507.db2.gz XJKWXGYQHQVVJQ-UHFFFAOYSA-N 0 3 239.319 0.597 20 0 BCADHN Cn1cc2c(n1)CCC[C@H]2NC/C=C/CO ZINC000658138503 411263235 /nfs/dbraw/zinc/26/32/35/411263235.db2.gz NSYKGDUPKGXXLS-KXMPLOMGSA-N 0 3 221.304 0.936 20 0 BCADHN C[C@@H]1CC[C@@H](NCC(=O)N(C)C)CS1 ZINC000655710900 411263672 /nfs/dbraw/zinc/26/36/72/411263672.db2.gz GVXUQRCMIKLVQY-RKDXNWHRSA-N 0 3 216.350 0.948 20 0 BCADHN FC(F)[C@H]1CCN(CCc2cn[nH]n2)C1 ZINC000660148093 411264256 /nfs/dbraw/zinc/26/42/56/411264256.db2.gz SVZZFCRCPNPTBN-ZETCQYMHSA-N 0 3 216.235 0.934 20 0 BCADHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(N)nc1 ZINC000050815289 411265983 /nfs/dbraw/zinc/26/59/83/411265983.db2.gz LORSSGYHEFQCLG-KOLCDFICSA-N 0 3 248.330 0.750 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H](C)C1(CO)CC1 ZINC000658151863 411266513 /nfs/dbraw/zinc/26/65/13/411266513.db2.gz BNRFXTBCNNBGCG-VHSXEESVSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H](C)C1(CO)CC1 ZINC000658153895 411267713 /nfs/dbraw/zinc/26/77/13/411267713.db2.gz JKWSQQRTZMUBII-IUCAKERBSA-N 0 3 235.349 0.170 20 0 BCADHN CN(C)CCc1cn(-c2cnn(C)c2)nn1 ZINC000656458838 411269313 /nfs/dbraw/zinc/26/93/13/411269313.db2.gz JAYZJPJINMBODH-UHFFFAOYSA-N 0 3 220.280 0.105 20 0 BCADHN CC/C=C/CCN1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000374023418 167844438 /nfs/dbraw/zinc/84/44/38/167844438.db2.gz NSDIMXZWHSSAGX-HEKLCECKSA-N 0 3 238.331 0.932 20 0 BCADHN COCc1n[nH]c(CN[C@@H]2CCOC2(C)C)n1 ZINC000658158308 411271604 /nfs/dbraw/zinc/27/16/04/411271604.db2.gz XWUJEAMFTOVIFF-MRVPVSSYSA-N 0 3 240.307 0.608 20 0 BCADHN CN(Cc1ncc[nH]1)C(=O)[C@@H](N)C(C)(C)C ZINC000070645727 411271947 /nfs/dbraw/zinc/27/19/47/411271947.db2.gz OUAPRLPCHZLFKL-SECBINFHSA-N 0 3 224.308 0.742 20 0 BCADHN C[C@H]1CN(CCc2cn[nH]n2)[C@@H](C)CN1C ZINC000660163905 411273331 /nfs/dbraw/zinc/27/33/31/411273331.db2.gz BLYAIMLMKLLSCU-UWVGGRQHSA-N 0 3 223.324 0.372 20 0 BCADHN OCC(CO)NCCOc1ccc(F)cc1 ZINC000653733081 411275320 /nfs/dbraw/zinc/27/53/20/411275320.db2.gz WVTNKTZABUAJRF-UHFFFAOYSA-N 0 3 229.251 0.147 20 0 BCADHN Cc1cc(-n2cc(C(C)(C)N)nn2)n(C)n1 ZINC000656465611 411277930 /nfs/dbraw/zinc/27/79/30/411277930.db2.gz DCNPERIHSUIEBB-UHFFFAOYSA-N 0 3 220.280 0.503 20 0 BCADHN C[C@@]1(C(=O)N2CCCNCC2)C[C@@H]1F ZINC000307145813 411278101 /nfs/dbraw/zinc/27/81/01/411278101.db2.gz MSSUUXUMPGIPSW-WCBMZHEXSA-N 0 3 200.257 0.556 20 0 BCADHN CC[C@H](C)N1CCN(c2ncnn2C)CC1 ZINC000653462640 411279020 /nfs/dbraw/zinc/27/90/20/411279020.db2.gz FQCZNEXVQUFDNQ-JTQLQIEISA-N 0 3 223.324 0.736 20 0 BCADHN CCN1CCC[C@H]1CN=c1nc[nH]n1C ZINC000653461930 411279073 /nfs/dbraw/zinc/27/90/73/411279073.db2.gz MHXPRJDFBTWSNQ-VIFPVBQESA-N 0 3 209.297 0.133 20 0 BCADHN CC(C(=O)N1CCC12CCCC2)S(C)(=O)=O ZINC000652579577 411280072 /nfs/dbraw/zinc/28/00/72/411280072.db2.gz CJJJUDGWQCMTBL-SECBINFHSA-N 0 3 245.344 0.965 20 0 BCADHN CC[C@H](C)N1CCN(c2nncn2C)CC1 ZINC000653462796 411280051 /nfs/dbraw/zinc/28/00/51/411280051.db2.gz MIAVFUSGIDBCHG-JTQLQIEISA-N 0 3 223.324 0.736 20 0 BCADHN CCNC(=O)C1CN(C[C@@H](C)COC)C1 ZINC000656685318 411328375 /nfs/dbraw/zinc/32/83/75/411328375.db2.gz HUKNKEDAIYJLOH-SECBINFHSA-N 0 3 214.309 0.337 20 0 BCADHN Nc1ncc(CN2C[C@@H]3COC[C@@H]3C2)s1 ZINC000634735982 411283990 /nfs/dbraw/zinc/28/39/90/411283990.db2.gz WJPGMWROUSUPQL-OCAPTIKFSA-N 0 3 225.317 0.804 20 0 BCADHN CN1C(=O)C[C@@H](N2CCC[C@H](CCF)C2)C1=O ZINC000656477974 411283965 /nfs/dbraw/zinc/28/39/65/411283965.db2.gz PIBNXUGKVONXHG-NXEZZACHSA-N 0 3 242.294 0.815 20 0 BCADHN CCN(C(=O)[C@H](C)NC)c1cnn(C)c1 ZINC000655522395 411290154 /nfs/dbraw/zinc/29/01/54/411290154.db2.gz UKVKBTACMFMMNB-QMMMGPOBSA-N 0 3 210.281 0.381 20 0 BCADHN O=S1(=O)CCC[C@@H](NCCc2ccoc2)C1 ZINC000658198788 411290295 /nfs/dbraw/zinc/29/02/95/411290295.db2.gz IGWARFIKXOGWNG-LLVKDONJSA-N 0 3 243.328 0.989 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCc1ccoc1 ZINC000658201382 411291497 /nfs/dbraw/zinc/29/14/97/411291497.db2.gz QGPJULGXOKPBHY-SECBINFHSA-N 0 3 231.317 0.845 20 0 BCADHN Cn1[nH]cnc1=NC[C@@H]1CCCCN1C1CC1 ZINC000653470126 411291741 /nfs/dbraw/zinc/29/17/41/411291741.db2.gz VQPATKTZSCELGY-NSHDSACASA-N 0 3 235.335 0.666 20 0 BCADHN COCCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000656537471 411291900 /nfs/dbraw/zinc/29/19/00/411291900.db2.gz IXEQFEZIICGFRI-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN COC[C@@H](CO)NCc1cnc2c(C)cccn12 ZINC000353072660 411293016 /nfs/dbraw/zinc/29/30/16/411293016.db2.gz NAKXBXAGPBIAJX-LLVKDONJSA-N 0 3 249.314 0.740 20 0 BCADHN CCN1C[C@@H](C)N(c2ncnn2C)C[C@@H]1C ZINC000653471040 411293118 /nfs/dbraw/zinc/29/31/18/411293118.db2.gz XHKMTSHFFQAMHY-VHSXEESVSA-N 0 3 223.324 0.734 20 0 BCADHN CCN(C(=O)NCCOC)[C@H]1CCN(C)C1 ZINC000656541034 411294049 /nfs/dbraw/zinc/29/40/49/411294049.db2.gz VFEWDNYUNRPKCN-JTQLQIEISA-N 0 3 229.324 0.368 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@@H](C)c1cn[nH]c1 ZINC000354664597 411300902 /nfs/dbraw/zinc/30/09/02/411300902.db2.gz VPAMTRVBKHFJEJ-BDAKNGLRSA-N 0 3 239.323 0.720 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@H](C)c1cn[nH]c1 ZINC000354664599 411301005 /nfs/dbraw/zinc/30/10/05/411301005.db2.gz VPAMTRVBKHFJEJ-RKDXNWHRSA-N 0 3 239.323 0.720 20 0 BCADHN NCc1noc(-c2cc3c(s2)CCNC3)n1 ZINC000656561677 411302002 /nfs/dbraw/zinc/30/20/02/411302002.db2.gz CSYDCWOLQKQKTA-UHFFFAOYSA-N 0 3 236.300 0.903 20 0 BCADHN Cc1noc(CN(C)C(=O)[C@H](N)C2CCC2)n1 ZINC000655527072 411306800 /nfs/dbraw/zinc/30/68/00/411306800.db2.gz IQDWZGKZGHBOHF-SNVBAGLBSA-N 0 3 238.291 0.464 20 0 BCADHN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1ccccn1 ZINC000309412967 411307031 /nfs/dbraw/zinc/30/70/31/411307031.db2.gz IUKVDRCDFXFWNA-MRVPVSSYSA-N 0 3 229.305 0.097 20 0 BCADHN C[C@@H](Cc1ncc[nH]1)OC[C@@H]1CNCCO1 ZINC000656611426 411309783 /nfs/dbraw/zinc/30/97/83/411309783.db2.gz HPRMOQSROYEEFI-UWVGGRQHSA-N 0 3 225.292 0.346 20 0 BCADHN CCO[C@H](C)c1nccn1C[C@H]1CNCCO1 ZINC000656611281 411310013 /nfs/dbraw/zinc/31/00/13/411310013.db2.gz FEQZWOMUCHSTPD-GHMZBOCLSA-N 0 3 239.319 0.969 20 0 BCADHN CC[C@H]1CN(C[C@@H]2CNC(=O)C2)CCO1 ZINC000659838411 411317595 /nfs/dbraw/zinc/31/75/95/411317595.db2.gz ODVSMZWWEPRDMD-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN CCN(C(=O)[C@H](C)N)[C@H]1CCCOC1 ZINC000402851249 411318691 /nfs/dbraw/zinc/31/86/91/411318691.db2.gz SREJKBCTRAOPGS-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN CC[C@](C)(CNCC(=O)N1CCOCC1)OC ZINC000322981063 411319065 /nfs/dbraw/zinc/31/90/65/411319065.db2.gz ZEXTYEYKKCUPSF-GFCCVEGCSA-N 0 3 244.335 0.250 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ccc(N)nc2)CCN1C ZINC000124209213 411320306 /nfs/dbraw/zinc/32/03/06/411320306.db2.gz FTSPFUOFZJJBFV-KOLCDFICSA-N 0 3 248.330 0.876 20 0 BCADHN Cc1cncc(CCN(CCO)C[C@@H](C)O)n1 ZINC000402891534 411321604 /nfs/dbraw/zinc/32/16/04/411321604.db2.gz FROKZNUATWHSEE-LLVKDONJSA-N 0 3 239.319 0.003 20 0 BCADHN Cc1cncc(CCN(C)[C@@H](C)CO)n1 ZINC000402939125 411322987 /nfs/dbraw/zinc/32/29/87/411322987.db2.gz ZISOPXGMQANLMQ-JTQLQIEISA-N 0 3 209.293 0.640 20 0 BCADHN CCN(CC(=O)N(C)C)[C@@H]1CCO[C@H](C)C1 ZINC000659839486 411323457 /nfs/dbraw/zinc/32/34/57/411323457.db2.gz VVHGHHZXXFLXAH-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN COC[C@@H]1CCN1CC1(O)CCSCC1 ZINC000656699427 411324053 /nfs/dbraw/zinc/32/40/53/411324053.db2.gz FGOJTXOFMKTRKK-JTQLQIEISA-N 0 3 231.361 0.965 20 0 BCADHN CN(C)CCN[C@H]1CCCn2ccnc21 ZINC000655768802 411250492 /nfs/dbraw/zinc/25/04/92/411250492.db2.gz PHZAJWLMKHTBBI-JTQLQIEISA-N 0 3 208.309 0.869 20 0 BCADHN NCc1cn(C[C@H]2COc3ccccc3O2)nn1 ZINC000050224942 411254733 /nfs/dbraw/zinc/25/47/33/411254733.db2.gz XNNBOZBNMOIJMC-JTQLQIEISA-N 0 3 246.270 0.577 20 0 BCADHN CN1CCN(c2nc(N)nc3c2CCCC3)CC1 ZINC000114200234 411257175 /nfs/dbraw/zinc/25/71/75/411257175.db2.gz GIEUDYQBQFXHOQ-UHFFFAOYSA-N 0 3 247.346 0.689 20 0 BCADHN CC[C@H](N)c1cn(CCNC(=O)C(C)C)nn1 ZINC000656442275 411260256 /nfs/dbraw/zinc/26/02/56/411260256.db2.gz IEIDLKYIPFPEGS-VIFPVBQESA-N 0 3 239.323 0.460 20 0 BCADHN Cn1nncc1CN1CC[C@H]2COC[C@H]2C1 ZINC000662033234 411350186 /nfs/dbraw/zinc/35/01/86/411350186.db2.gz JCGGJFVUZCSRPA-VHSXEESVSA-N 0 3 222.292 0.283 20 0 BCADHN CC1(C)CC[C@@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000659323155 411351160 /nfs/dbraw/zinc/35/11/60/411351160.db2.gz WUPPDVNAOWBIIU-VHSXEESVSA-N 0 3 226.320 0.527 20 0 BCADHN CCCN1CC[C@H](NC(=O)N[C@H](C)COC)C1 ZINC000660265769 411351976 /nfs/dbraw/zinc/35/19/76/411351976.db2.gz MDFKJRZCPAQMEK-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN Cc1nc(CN2CC[C@@H]3COC[C@@H]3C2)n[nH]1 ZINC000662038213 411353204 /nfs/dbraw/zinc/35/32/04/411353204.db2.gz VRBHTPHHMABMMC-ZJUUUORDSA-N 0 3 222.292 0.581 20 0 BCADHN C[C@@H]1CN(CCN2CCC3(COC3)C2)CCO1 ZINC000662073055 411356545 /nfs/dbraw/zinc/35/65/45/411356545.db2.gz QSXKVCYXDAJYNI-GFCCVEGCSA-N 0 3 240.347 0.429 20 0 BCADHN CNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000653481393 411357587 /nfs/dbraw/zinc/35/75/87/411357587.db2.gz HCCRJKMFJMZIKW-VHSXEESVSA-N 0 3 211.309 0.932 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCC2(COC2)C1 ZINC000662076620 411357806 /nfs/dbraw/zinc/35/78/06/411357806.db2.gz PCAXJCKKUIEFFG-VIFPVBQESA-N 0 3 224.304 0.376 20 0 BCADHN C(CN1CCC2(COC2)C1)OC[C@H]1CCCO1 ZINC000662076103 411357979 /nfs/dbraw/zinc/35/79/79/411357979.db2.gz SOKDGELRKGTTAG-GFCCVEGCSA-N 0 3 241.331 0.904 20 0 BCADHN CC[C@H](COCC1CC1)NC(=O)[C@H](C)NC ZINC000659334637 411363058 /nfs/dbraw/zinc/36/30/58/411363058.db2.gz FONZMECMGYGDSB-GXSJLCMTSA-N 0 3 228.336 0.916 20 0 BCADHN CC(C)(N)C(=O)NCCO[C@H]1CC1(F)F ZINC000658949049 411363459 /nfs/dbraw/zinc/36/34/59/411363459.db2.gz XIKNMEJKDIPILB-LURJTMIESA-N 0 3 222.235 0.264 20 0 BCADHN C[C@H]1CCC[C@H](CNC(=O)C(C)(C)N)O1 ZINC000658954771 411363506 /nfs/dbraw/zinc/36/35/06/411363506.db2.gz ZGBYIINQOAAVBQ-DTWKUNHWSA-N 0 3 214.309 0.798 20 0 BCADHN CC(C)[C@H](N)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000658954726 411364150 /nfs/dbraw/zinc/36/41/50/411364150.db2.gz WGVKSMRISKGFLN-JFGNBEQYSA-N 0 3 226.320 0.465 20 0 BCADHN COC[C@@H](CCNC(=O)[C@@H]1NCC1(C)C)OC ZINC000659337765 411365344 /nfs/dbraw/zinc/36/53/44/411365344.db2.gz SSMIIPHXCNWQLT-ZJUUUORDSA-N 0 3 244.335 0.152 20 0 BCADHN COCCNCC(=O)N[C@]12C[C@H]1CCC2 ZINC000659338077 411365745 /nfs/dbraw/zinc/36/57/45/411365745.db2.gz UFEMUXDUKDYENU-MWLCHTKSSA-N 0 3 212.293 0.281 20 0 BCADHN COCC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654306085 411369448 /nfs/dbraw/zinc/36/94/48/411369448.db2.gz GNSKMLJEXWWDQW-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN O=S(=O)(CCC1CCC1)NCCNC1CC1 ZINC000304570819 411371727 /nfs/dbraw/zinc/37/17/27/411371727.db2.gz ZYFWIISYWAXEPB-UHFFFAOYSA-N 0 3 246.376 0.848 20 0 BCADHN C[C@@H]1NC(=O)N(CCN2CC[C@@H]3C[C@@H]3C2)C1=O ZINC000661967007 411334042 /nfs/dbraw/zinc/33/40/42/411334042.db2.gz NBLIRVHEBXMIIF-IVZWLZJFSA-N 0 3 237.303 0.269 20 0 BCADHN C[C@@H](O)CNCc1c(C2CC2)cnn1C ZINC000656710252 411335567 /nfs/dbraw/zinc/33/55/67/411335567.db2.gz VWVXTEBEKKNKAA-MRVPVSSYSA-N 0 3 209.293 0.768 20 0 BCADHN CCN1CC[C@H](N2CC[C@H]3C[C@H]3C2)C1=O ZINC000661967935 411336113 /nfs/dbraw/zinc/33/61/13/411336113.db2.gz RXJAJOJRGKVMSA-DCAQKATOSA-N 0 3 208.305 0.949 20 0 BCADHN C[C@@H](CNC[C@@H]1CCC[C@@H](C)O1)S(C)(=O)=O ZINC000656710890 411337486 /nfs/dbraw/zinc/33/74/86/411337486.db2.gz NNMPOTDLUZTQQH-VWYCJHECSA-N 0 3 249.376 0.967 20 0 BCADHN CO[C@@]1(C)C[C@H]1N[C@@H]1CCCS(=O)(=O)C1 ZINC000658330540 411338204 /nfs/dbraw/zinc/33/82/04/411338204.db2.gz FBLRJEQIQCGPJB-BBBLOLIVSA-N 0 3 233.333 0.331 20 0 BCADHN CC1(OCC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)CNC1 ZINC000403263476 411339933 /nfs/dbraw/zinc/33/99/33/411339933.db2.gz YOMIPDFAKQDAEK-GMTAPVOTSA-N 0 3 238.331 0.670 20 0 BCADHN O=C(CNC1CC1)NCCc1nccs1 ZINC000063135422 411343056 /nfs/dbraw/zinc/34/30/56/411343056.db2.gz AMCIWIJRMFCAIF-UHFFFAOYSA-N 0 3 225.317 0.554 20 0 BCADHN Cc1nc(CN2CCO[C@@H](CN(C)C)C2)co1 ZINC000659898848 411343536 /nfs/dbraw/zinc/34/35/36/411343536.db2.gz CXNFASMCAOVJIJ-LBPRGKRZSA-N 0 3 239.319 0.745 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@H](O)[C@H]1C ZINC000654165220 411345685 /nfs/dbraw/zinc/34/56/85/411345685.db2.gz DJOBNVGACLRYPY-NXEZZACHSA-N 0 3 214.309 0.308 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2ccc(C)nc2)C1 ZINC000653768631 411346335 /nfs/dbraw/zinc/34/63/35/411346335.db2.gz ZGDFOLHMWZVIOE-LBPRGKRZSA-N 0 3 233.315 0.958 20 0 BCADHN CC1(CNC(=O)[C@@H](CN)c2ccccc2)COC1 ZINC000094722406 168033409 /nfs/dbraw/zinc/03/34/09/168033409.db2.gz ZUQSQHYOZRUYFO-LBPRGKRZSA-N 0 3 248.326 0.882 20 0 BCADHN NCc1cccc(NC(=O)CCn2ccnn2)c1 ZINC000063190889 411347751 /nfs/dbraw/zinc/34/77/51/411347751.db2.gz OHLDNHUQVNGWGC-UHFFFAOYSA-N 0 3 245.286 0.766 20 0 BCADHN CC1(CNC[C@H]2CCCCS2(=O)=O)COC1 ZINC000328606011 168042912 /nfs/dbraw/zinc/04/29/12/168042912.db2.gz JZZUTTUNSKWUSC-SNVBAGLBSA-N 0 3 247.360 0.580 20 0 BCADHN CC1(CN[C@H](Cc2ccccc2)C(N)=O)COC1 ZINC000273508879 168046234 /nfs/dbraw/zinc/04/62/34/168046234.db2.gz QKFUHFFMRRWTCP-GFCCVEGCSA-N 0 3 248.326 0.709 20 0 BCADHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1cscn1 ZINC000658410439 411378349 /nfs/dbraw/zinc/37/83/49/411378349.db2.gz QULXGYHMYBSHDC-LURJTMIESA-N 0 3 235.334 0.029 20 0 BCADHN CC1=CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000270206733 168106848 /nfs/dbraw/zinc/10/68/48/168106848.db2.gz ZPFDLQZLSOARJO-VIFPVBQESA-N 0 3 231.317 0.598 20 0 BCADHN CC(C)(N)c1cn(CCCCCO)nn1 ZINC000069679396 411380483 /nfs/dbraw/zinc/38/04/83/411380483.db2.gz HYHHRBWKMPWNNB-UHFFFAOYSA-N 0 3 212.297 0.635 20 0 BCADHN CC1CCC(O)(CN2CCOC[C@@H](O)C2)CC1 ZINC000332242586 168166778 /nfs/dbraw/zinc/16/67/78/168166778.db2.gz JOXFQQFXLCEMAT-CPCZMJQVSA-N 0 3 243.347 0.621 20 0 BCADHN CC1CCN(C(=O)NCCN(C)C)CC1 ZINC000126876262 168173336 /nfs/dbraw/zinc/17/33/36/168173336.db2.gz VQGNKBACOHQEKY-UHFFFAOYSA-N 0 3 213.325 0.990 20 0 BCADHN C[C@H](O)CCN(C)C(=O)CN1CCC(C)CC1 ZINC000305071226 168177384 /nfs/dbraw/zinc/17/73/84/168177384.db2.gz OTFYNGQWWJZFQG-LBPRGKRZSA-N 0 3 242.363 0.948 20 0 BCADHN CC1CCN(CC(=O)NCCN2CCC2)CC1 ZINC000337583494 168178105 /nfs/dbraw/zinc/17/81/05/168178105.db2.gz DCMIADMJPZNXRN-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN CC1CCN(CCNC(=O)c2ccnnc2)CC1 ZINC000154547955 168181041 /nfs/dbraw/zinc/18/10/41/168181041.db2.gz UZQLFDUYLSSCGV-UHFFFAOYSA-N 0 3 248.330 0.938 20 0 BCADHN CC[C@H](C(N)=O)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000656916370 411387923 /nfs/dbraw/zinc/38/79/23/411387923.db2.gz ONVKYXNIMUPJQP-HBNTYKKESA-N 0 3 238.331 0.751 20 0 BCADHN CC(C)NCC(=O)Nc1nnc2ccccn21 ZINC000659292446 411388883 /nfs/dbraw/zinc/38/88/83/411388883.db2.gz PRARQQPHWLSWLX-UHFFFAOYSA-N 0 3 233.275 0.666 20 0 BCADHN CCC(=O)CCCN(C)CCOCCO ZINC000301052232 168198994 /nfs/dbraw/zinc/19/89/94/168198994.db2.gz 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241.335 0.097 20 0 BCADHN CCC(=O)NC[C@H]1CCCCN1CCO ZINC000331286315 168231542 /nfs/dbraw/zinc/23/15/42/168231542.db2.gz ABTGBECLZOORRV-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN O[C@@]1(CCNCc2ccncc2)CCOC1 ZINC000404205836 411382905 /nfs/dbraw/zinc/38/29/05/411382905.db2.gz STGNODINQJRLKB-LBPRGKRZSA-N 0 3 222.288 0.713 20 0 BCADHN CCC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000130506854 168238180 /nfs/dbraw/zinc/23/81/80/168238180.db2.gz LPYDEEHXYQZVEB-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN CCC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000130507052 168240125 /nfs/dbraw/zinc/24/01/25/168240125.db2.gz LPYDEEHXYQZVEB-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN C[C@H](NCC[C@@]1(O)CCOC1)c1cn[nH]c1 ZINC000404213411 411384060 /nfs/dbraw/zinc/38/40/60/411384060.db2.gz YALLQCFQMXHPBA-GXSJLCMTSA-N 0 3 225.292 0.602 20 0 BCADHN C[C@]1(CNC(=O)COC2(C)CNC2)CC1(F)F ZINC000659362740 411384191 /nfs/dbraw/zinc/38/41/91/411384191.db2.gz VPQRQNKCGXHQKG-SECBINFHSA-N 0 3 248.273 0.526 20 0 BCADHN Cc1n[nH]cc1CNC[C@]1(O)CCSC1 ZINC000176753940 411384768 /nfs/dbraw/zinc/38/47/68/411384768.db2.gz KHBDQHULVQVJDF-SNVBAGLBSA-N 0 3 227.333 0.676 20 0 BCADHN C[C@H](NC(=O)C[C@@H]1NCc2ccccc21)C(N)=O ZINC000659267267 411384994 /nfs/dbraw/zinc/38/49/94/411384994.db2.gz YTHNWSGBUWIFMV-KWQFWETISA-N 0 3 247.298 0.211 20 0 BCADHN CC(C)NCC(=O)NC(C)(C)c1cnn(C)c1 ZINC000659265552 411385127 /nfs/dbraw/zinc/38/51/27/411385127.db2.gz LROQTOWAECCDKW-UHFFFAOYSA-N 0 3 238.335 0.769 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000659369841 411385837 /nfs/dbraw/zinc/38/58/37/411385837.db2.gz PYRBEACXNQWTMI-GIPNMCIBSA-N 0 3 238.331 0.479 20 0 BCADHN CCC(C)(C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126049911 168290596 /nfs/dbraw/zinc/29/05/96/168290596.db2.gz VPTMYVPPFJURLE-JTQLQIEISA-N 0 3 243.351 0.391 20 0 BCADHN CCC(C)(C)NC(=O)[C@H](C)NCCNC(C)=O ZINC000035206966 168295308 /nfs/dbraw/zinc/29/53/08/168295308.db2.gz JZARTDUPLUJLGR-VIFPVBQESA-N 0 3 243.351 0.405 20 0 BCADHN CCC(C)(C)NC(=O)[C@H](C)N1CC[C@@H](CO)C1 ZINC000225979350 168295442 /nfs/dbraw/zinc/29/54/42/168295442.db2.gz KOQLFRVPOPYNJO-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN CCC(C)(C)NC(=O)[C@H](C)N1CCNCC1 ZINC000026513137 168295734 /nfs/dbraw/zinc/29/57/34/168295734.db2.gz AEMAFADTACOLAD-JTQLQIEISA-N 0 3 227.352 0.585 20 0 BCADHN COC[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC000654857429 411456215 /nfs/dbraw/zinc/45/62/15/411456215.db2.gz SHWYDYVTVAPCKT-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1c[nH]c(CNCCCn2cncn2)n1 ZINC000657300942 411458208 /nfs/dbraw/zinc/45/82/08/411458208.db2.gz PVKNPMZBCRRMPJ-UHFFFAOYSA-N 0 3 220.280 0.490 20 0 BCADHN COC[C@H](CN1CCCN(C(C)=O)CC1)OC ZINC000659809769 411459741 /nfs/dbraw/zinc/45/97/41/411459741.db2.gz BNTWOULZRAYAOT-LBPRGKRZSA-N 0 3 244.335 0.202 20 0 BCADHN CO[C@@H]1CCC[C@H]1CNC(=O)CNC(C)C ZINC000659318336 411393232 /nfs/dbraw/zinc/39/32/32/411393232.db2.gz DWSIWIKBUZGXJT-WDEREUQCSA-N 0 3 228.336 0.916 20 0 BCADHN COc1ccnc(CNC(=O)CNC(C)C)n1 ZINC000659326283 411394035 /nfs/dbraw/zinc/39/40/35/411394035.db2.gz XTDKOGAATNVJGK-UHFFFAOYSA-N 0 3 238.291 0.099 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000659322114 411394473 /nfs/dbraw/zinc/39/44/73/411394473.db2.gz FXZPOJLGKKLKDZ-ZDCRXTMVSA-N 0 3 224.304 0.137 20 0 BCADHN CC[C@@H](C(=O)NCCCn1ccnn1)N(C)C ZINC000184995121 411395610 /nfs/dbraw/zinc/39/56/10/411395610.db2.gz ZZEDKSXJWPMVIX-JTQLQIEISA-N 0 3 239.323 0.125 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000659334810 411396882 /nfs/dbraw/zinc/39/68/82/411396882.db2.gz QOEJWBLYZYLWOI-GUBZILKMSA-N 0 3 212.293 0.374 20 0 BCADHN CCN(CCN1CCCC1=O)[C@H](C)CO ZINC000339631277 169839759 /nfs/dbraw/zinc/83/97/59/169839759.db2.gz UITZMSOIJJPQJC-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN C[C@H](N)C(=O)NCc1cnc(C(F)(F)F)nc1 ZINC000659335376 411397748 /nfs/dbraw/zinc/39/77/48/411397748.db2.gz HVQWLNOCKDHVKI-YFKPBYRVSA-N 0 3 248.208 0.459 20 0 BCADHN CC(C)(C)N1CC[C@H](NS(=O)(=O)C2CC2)C1 ZINC000657060550 411398021 /nfs/dbraw/zinc/39/80/21/411398021.db2.gz ICARVZLXNIYXAE-VIFPVBQESA-N 0 3 246.376 0.941 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCCO[C@@H]1CC1(F)F ZINC000659346408 411400940 /nfs/dbraw/zinc/40/09/40/411400940.db2.gz YFYYABSXZGRZKN-SFYZADRCSA-N 0 3 248.273 0.525 20 0 BCADHN CCO[C@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659391376 411401478 /nfs/dbraw/zinc/40/14/78/411401478.db2.gz UBWKMDDQGZVRQC-IWSPIJDZSA-N 0 3 218.272 0.309 20 0 BCADHN CC(C)(F)CCNC(=O)CNC1CC1 ZINC000659359487 411402089 /nfs/dbraw/zinc/40/20/89/411402089.db2.gz SHUOEYRSBNEPEW-UHFFFAOYSA-N 0 3 202.273 0.993 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCC[C@@H](O)C2)C1 ZINC000654472561 411402446 /nfs/dbraw/zinc/40/24/46/411402446.db2.gz JDEUNNLIBWEJCY-GHMZBOCLSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@H](N)C(=O)NCC[C@@]1(C)CC1(F)F ZINC000659360970 411403225 /nfs/dbraw/zinc/40/32/25/411403225.db2.gz JNSKDOQGDWTALH-XPUUQOCRSA-N 0 3 206.236 0.885 20 0 BCADHN COc1ccc(C(=O)NC[C@@H](C)N(C)C)o1 ZINC000654480149 411403394 /nfs/dbraw/zinc/40/33/94/411403394.db2.gz RAINBHLCJQGXLU-MRVPVSSYSA-N 0 3 226.276 0.968 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@]1(C)CC1(F)F ZINC000659361716 411403448 /nfs/dbraw/zinc/40/34/48/411403448.db2.gz MPEWEQIBNMMSAP-XPUUQOCRSA-N 0 3 206.236 0.756 20 0 BCADHN CO[C@H](CNC(=O)C1(N)CC1)C1CCCC1 ZINC000659384845 411403901 /nfs/dbraw/zinc/40/39/01/411403901.db2.gz ZMPPFWKDHWOZIT-SNVBAGLBSA-N 0 3 226.320 0.799 20 0 BCADHN CO[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000659382626 411407938 /nfs/dbraw/zinc/40/79/38/411407938.db2.gz CCFANHYYMMWCHQ-GWOFURMSSA-N 0 3 244.310 0.699 20 0 BCADHN CO[C@@H]1CC[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000659382628 411407956 /nfs/dbraw/zinc/40/79/56/411407956.db2.gz CCFANHYYMMWCHQ-LNFKQOIKSA-N 0 3 244.310 0.699 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H](OC)C1CCCC1 ZINC000659383814 411408992 /nfs/dbraw/zinc/40/89/92/411408992.db2.gz WASGZQMGNMCVQT-ONGXEEELSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@@]1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CCCOC1 ZINC000659388901 411410219 /nfs/dbraw/zinc/41/02/19/411410219.db2.gz NRGJCTXGOCDVJY-CKYFFXLPSA-N 0 3 244.310 0.701 20 0 BCADHN N[C@@H]1CN(C(=O)c2cccnc2)CC[C@H]1F ZINC000659388393 411410594 /nfs/dbraw/zinc/41/05/94/411410594.db2.gz FIMWAWVBOAQQRH-NXEZZACHSA-N 0 3 223.251 0.593 20 0 BCADHN COCC1(CNC(=O)N[C@@H](C)CN(C)C)CC1 ZINC000654563317 411411707 /nfs/dbraw/zinc/41/17/07/411411707.db2.gz DLHHBLVDIYXMKX-JTQLQIEISA-N 0 3 243.351 0.662 20 0 BCADHN COCCCCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659390832 411411769 /nfs/dbraw/zinc/41/17/69/411411769.db2.gz IPAYZFCKKCQORK-NXEZZACHSA-N 0 3 232.299 0.701 20 0 BCADHN COCCN(C)C(=O)CN1CCC(C)(C)C1 ZINC000654557587 411412014 /nfs/dbraw/zinc/41/20/14/411412014.db2.gz APJXZQLGPYNLFM-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN C[C@H]1OCC[C@@H]1NC1COCCOC1 ZINC000306928504 411462010 /nfs/dbraw/zinc/46/20/10/411462010.db2.gz YKBUKNIJBKFMHI-SCZZXKLOSA-N 0 3 201.266 0.169 20 0 BCADHN CCOCCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659431351 411413715 /nfs/dbraw/zinc/41/37/15/411413715.db2.gz JXNHYOJPHJXDII-RKDXNWHRSA-N 0 3 233.287 0.104 20 0 BCADHN CCOCCCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659425756 411413980 /nfs/dbraw/zinc/41/39/80/411413980.db2.gz OMEPZTUOCUBAAK-NXEZZACHSA-N 0 3 247.314 0.494 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659438131 411414225 /nfs/dbraw/zinc/41/42/25/411414225.db2.gz XAYRRZXIWQUWSB-ZYUZMQFOSA-N 0 3 229.299 0.723 20 0 BCADHN COCC[C@@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659447962 411416506 /nfs/dbraw/zinc/41/65/06/411416506.db2.gz ORBGACSVLZBLGS-OPRDCNLKSA-N 0 3 247.314 0.492 20 0 BCADHN CC[C@@H](COC)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659459011 411417194 /nfs/dbraw/zinc/41/71/94/411417194.db2.gz WVAJCQGSRGMONA-IVZWLZJFSA-N 0 3 247.314 0.492 20 0 BCADHN CCC(CC)(CO)C(=O)NCCN(C)C1CC1 ZINC000654599764 411417663 /nfs/dbraw/zinc/41/76/63/411417663.db2.gz SJQKCEUQWHHVTD-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](CCO)NC(=O)CN1CC[C@H](C)C1 ZINC000654910888 411462304 /nfs/dbraw/zinc/46/23/04/411462304.db2.gz DPJHLXBBSAZACU-UWVGGRQHSA-N 0 3 214.309 0.215 20 0 BCADHN O[C@@H]1C[C@H]2CN(Cc3ccncc3)CCN2C1 ZINC000405247332 411421291 /nfs/dbraw/zinc/42/12/91/411421291.db2.gz IAXSNFZVDHHYSI-QWHCGFSZSA-N 0 3 233.315 0.332 20 0 BCADHN Cc1nccc(C(=O)NC(C)(C)CN(C)C)n1 ZINC000654660598 411424289 /nfs/dbraw/zinc/42/42/89/411424289.db2.gz MMIGQFRRGHCDBM-UHFFFAOYSA-N 0 3 236.319 0.855 20 0 BCADHN O[C@@H]1C[C@H]2CN(CCc3cccnc3)CCN2C1 ZINC000405322113 411425092 /nfs/dbraw/zinc/42/50/92/411425092.db2.gz VIYCKMVRALQAMJ-UONOGXRCSA-N 0 3 247.342 0.375 20 0 BCADHN O=C1NCC[C@@H]1CCN1CCc2cn[nH]c2C1 ZINC000653588435 411428646 /nfs/dbraw/zinc/42/86/46/411428646.db2.gz WESKSQKBELKEHN-SECBINFHSA-N 0 3 234.303 0.294 20 0 BCADHN C[C@](N)(C(=O)NCc1nc[nH]n1)c1ccccc1 ZINC000052882359 411430826 /nfs/dbraw/zinc/43/08/26/411430826.db2.gz AELUWGMGNGREAT-GFCCVEGCSA-N 0 3 245.286 0.295 20 0 BCADHN C[C@]([NH3+])(C(=O)NCc1nnc[n-]1)c1ccccc1 ZINC000052882359 411430829 /nfs/dbraw/zinc/43/08/29/411430829.db2.gz AELUWGMGNGREAT-GFCCVEGCSA-N 0 3 245.286 0.295 20 0 BCADHN C[C@](N)(C(=O)NCc1nnc[nH]1)c1ccccc1 ZINC000052882359 411430832 /nfs/dbraw/zinc/43/08/32/411430832.db2.gz AELUWGMGNGREAT-GFCCVEGCSA-N 0 3 245.286 0.295 20 0 BCADHN CN1CCN(C(=O)[C@H]2CC=CCC2)[C@@H](CN)C1 ZINC000122642946 411433778 /nfs/dbraw/zinc/43/37/78/411433778.db2.gz YNUWPRZIOVLLFY-RYUDHWBXSA-N 0 3 237.347 0.444 20 0 BCADHN CC[C@H](C)CCNC(=O)NC[C@H]1CNCCO1 ZINC000659555331 411435514 /nfs/dbraw/zinc/43/55/14/411435514.db2.gz PTDLTFVVYMRNTH-WDEREUQCSA-N 0 3 243.351 0.710 20 0 BCADHN CO[C@H](C)CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000659569281 411437565 /nfs/dbraw/zinc/43/75/65/411437565.db2.gz GIYCDSHUHHBYBS-BBBLOLIVSA-N 0 3 229.324 0.413 20 0 BCADHN CO[C@H](C)CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000659569282 411437814 /nfs/dbraw/zinc/43/78/14/411437814.db2.gz GIYCDSHUHHBYBS-KXUCPTDWSA-N 0 3 229.324 0.413 20 0 BCADHN COC[C@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659425276 411438784 /nfs/dbraw/zinc/43/87/84/411438784.db2.gz KEEJPXXVFAQRNV-DJLDLDEBSA-N 0 3 233.287 0.102 20 0 BCADHN Cc1ccc(CN2CCN3C[C@H](O)C[C@H]3C2)cn1 ZINC000405727946 411439618 /nfs/dbraw/zinc/43/96/18/411439618.db2.gz SILRGCMACWCFNI-UONOGXRCSA-N 0 3 247.342 0.641 20 0 BCADHN CC(C)(CO)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000654759751 411440168 /nfs/dbraw/zinc/44/01/68/411440168.db2.gz XMNSAUAGJWHCGX-NSHDSACASA-N 0 3 240.347 0.605 20 0 BCADHN CC[C@](C)(CO)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000654760126 411440745 /nfs/dbraw/zinc/44/07/45/411440745.db2.gz LASIXCPZBNFQSW-WCQYABFASA-N 0 3 242.363 0.853 20 0 BCADHN COc1cccc(CNC[C@H]2CCCNC2=O)n1 ZINC000657284217 411443430 /nfs/dbraw/zinc/44/34/30/411443430.db2.gz RGIITAXERSPILO-SNVBAGLBSA-N 0 3 249.314 0.706 20 0 BCADHN COC[C@@H](O)CCN[C@H]1CCCn2ccnc21 ZINC000655736235 411443665 /nfs/dbraw/zinc/44/36/65/411443665.db2.gz PDTLKYVYZXOJHG-QWRGUYRKSA-N 0 3 239.319 0.705 20 0 BCADHN OCCCNCc1ccnn1-c1ccncc1 ZINC000657286692 411445522 /nfs/dbraw/zinc/44/55/22/411445522.db2.gz RSAQPRZOKCMHQM-UHFFFAOYSA-N 0 3 232.287 0.739 20 0 BCADHN OCCNCc1ccnn1-c1ccncc1 ZINC000657293496 411450498 /nfs/dbraw/zinc/45/04/98/411450498.db2.gz ORBQIBRVIULCTI-UHFFFAOYSA-N 0 3 218.260 0.349 20 0 BCADHN CC[C@H]1C[C@H](NCC(=O)NC(C)C)CO1 ZINC000657294146 411450878 /nfs/dbraw/zinc/45/08/78/411450878.db2.gz GRJWAKWGKAWUIU-UWVGGRQHSA-N 0 3 214.309 0.668 20 0 BCADHN CC[C@@H]1C[C@H](NCCNC(=O)C2CC2)CO1 ZINC000657291312 411451243 /nfs/dbraw/zinc/45/12/43/411451243.db2.gz ZVMAGXPRSJALTI-WDEREUQCSA-N 0 3 226.320 0.670 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000637962081 411451383 /nfs/dbraw/zinc/45/13/83/411451383.db2.gz IHYMCWQKJAYKIP-BBBLOLIVSA-N 0 3 241.335 0.145 20 0 BCADHN C[C@]1(C(N)=O)CCN(Cc2cccnc2)C1 ZINC000280184381 411451446 /nfs/dbraw/zinc/45/14/46/411451446.db2.gz GYNFFGSKJTUQKB-LBPRGKRZSA-N 0 3 219.288 0.779 20 0 BCADHN CC[C@@H]1C[C@@H](NCCNC(=O)C2CC2)CO1 ZINC000657291306 411451933 /nfs/dbraw/zinc/45/19/33/411451933.db2.gz ZVMAGXPRSJALTI-GHMZBOCLSA-N 0 3 226.320 0.670 20 0 BCADHN CC[C@H]1C[C@H](NCC(=O)N(C)C)CO1 ZINC000657291678 411453317 /nfs/dbraw/zinc/45/33/17/411453317.db2.gz BCJMEBURIVXGNI-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN OCCOCCNCc1ccnn1CC1CC1 ZINC000657292453 411453719 /nfs/dbraw/zinc/45/37/19/411453719.db2.gz KUYLNODLGGGURB-UHFFFAOYSA-N 0 3 239.319 0.392 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@@H]1C ZINC000638006522 411453761 /nfs/dbraw/zinc/45/37/61/411453761.db2.gz FGLVYNHTYHVPLJ-AATLWQCWSA-N 0 3 212.293 0.217 20 0 BCADHN CC(=O)NCCCNCc1cc2n(n1)CCC2 ZINC000657297485 411454080 /nfs/dbraw/zinc/45/40/80/411454080.db2.gz DYKYBUGLGMLPLT-UHFFFAOYSA-N 0 3 236.319 0.445 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CCS[C@H]1C ZINC000307221487 411468997 /nfs/dbraw/zinc/46/89/97/411468997.db2.gz IWECANGGWAIKBL-FXQIFTODSA-N 0 3 202.323 0.734 20 0 BCADHN CC[C@H]1C[C@H](NCCCS(C)(=O)=O)CO1 ZINC000657346464 411470474 /nfs/dbraw/zinc/47/04/74/411470474.db2.gz JFCAREKQBRFUTQ-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN CO[C@@H](CN(CCO)C1CC1)[C@@H]1CCOC1 ZINC000659840957 411471923 /nfs/dbraw/zinc/47/19/23/411471923.db2.gz JDPMGHDLQIWOIW-PWSUYJOCSA-N 0 3 229.320 0.495 20 0 BCADHN CO[C@H](CN(CCO)C1CC1)[C@@H]1CCOC1 ZINC000659840959 411472270 /nfs/dbraw/zinc/47/22/70/411472270.db2.gz JDPMGHDLQIWOIW-ZYHUDNBSSA-N 0 3 229.320 0.495 20 0 BCADHN COCCN(C)C[C@@H](OC)[C@H]1CCOC1 ZINC000659848665 411475724 /nfs/dbraw/zinc/47/57/24/411475724.db2.gz GLMHLZIJHHYOBM-WDEREUQCSA-N 0 3 217.309 0.616 20 0 BCADHN O=C1C[C@@H](CN2CCN(CC3CC3)CC2)CN1 ZINC000659847740 411475979 /nfs/dbraw/zinc/47/59/79/411475979.db2.gz QLOXKMKIOOVJKW-GFCCVEGCSA-N 0 3 237.347 0.150 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H](C)CS(=O)(=O)CC)CO1 ZINC000657360252 411476639 /nfs/dbraw/zinc/47/66/39/411476639.db2.gz AGFRSXDKKURSJA-HBNTYKKESA-N 0 3 249.376 0.967 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@H](C)CS(=O)(=O)CC)CO1 ZINC000657360251 411477448 /nfs/dbraw/zinc/47/74/48/411477448.db2.gz AGFRSXDKKURSJA-GMTAPVOTSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)[C@@H]2CO)C1 ZINC000655019316 411477859 /nfs/dbraw/zinc/47/78/59/411477859.db2.gz FABFSVKVUCXOEP-UTUOFQBUSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@@H](O)CCNCc1cnc2n1CCC2 ZINC000657361407 411478098 /nfs/dbraw/zinc/47/80/98/411478098.db2.gz CVPFHBSOFNYIIT-SECBINFHSA-N 0 3 209.293 0.690 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC[C@H](C)[C@H]2CO)C1 ZINC000655019313 411478330 /nfs/dbraw/zinc/47/83/30/411478330.db2.gz FABFSVKVUCXOEP-GRYCIOLGSA-N 0 3 240.347 0.558 20 0 BCADHN CC(C)(O)CNCc1cnn2c1CCC2 ZINC000657356731 411478447 /nfs/dbraw/zinc/47/84/47/411478447.db2.gz QBVXGLGECBQSMG-UHFFFAOYSA-N 0 3 209.293 0.690 20 0 BCADHN O=C1NCCC[C@@H]1CNCc1cnc2n1CCC2 ZINC000657490509 411533323 /nfs/dbraw/zinc/53/33/23/411533323.db2.gz LRTKORWGNCOQTQ-SNVBAGLBSA-N 0 3 248.330 0.445 20 0 BCADHN Cc1c[nH]c(CN[C@@H]2CCC[C@H](C(N)=O)C2)n1 ZINC000657370346 411483617 /nfs/dbraw/zinc/48/36/17/411483617.db2.gz FPZVWRGPTLXCNB-VHSXEESVSA-N 0 3 236.319 0.852 20 0 BCADHN C[C@@H]1CN(CCc2cn[nH]n2)CCCO1 ZINC000659872497 411484201 /nfs/dbraw/zinc/48/42/01/411484201.db2.gz BAHGJQHLDSZLCW-SECBINFHSA-N 0 3 210.281 0.458 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCc1cnc2n1CCC2 ZINC000657372799 411486342 /nfs/dbraw/zinc/48/63/42/411486342.db2.gz XDXJXBHXLHPXIL-VHSXEESVSA-N 0 3 223.320 0.936 20 0 BCADHN COCCNCCNC(=O)NCC1=CCCC1 ZINC000659529372 411486624 /nfs/dbraw/zinc/48/66/24/411486624.db2.gz XTMZSUZLNKCMKU-UHFFFAOYSA-N 0 3 241.335 0.632 20 0 BCADHN C[C@@H](O)CN1CCN([C@@H]2COC(C)(C)C2)CC1 ZINC000659875813 411487425 /nfs/dbraw/zinc/48/74/25/411487425.db2.gz QCQXDNXZMKVDKW-NEPJUHHUSA-N 0 3 242.363 0.552 20 0 BCADHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc[nH]c1 ZINC000655073527 411489698 /nfs/dbraw/zinc/48/96/98/411489698.db2.gz VXCNKSBEBYWVNH-ZDUSSCGKSA-N 0 3 249.314 0.201 20 0 BCADHN CC[C@@H]1C[C@H](N[C@H]2CC(=O)N(C3CC3)C2)CO1 ZINC000657387857 411490444 /nfs/dbraw/zinc/49/04/44/411490444.db2.gz WITZQVSAIVOAQJ-JBLDHEPKSA-N 0 3 238.331 0.907 20 0 BCADHN O=C1NCCC[C@H]1CNCc1cnc2n1CCC2 ZINC000657490508 411533772 /nfs/dbraw/zinc/53/37/72/411533772.db2.gz LRTKORWGNCOQTQ-JTQLQIEISA-N 0 3 248.330 0.445 20 0 BCADHN CC[C@H](O)CC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000655090425 411493290 /nfs/dbraw/zinc/49/32/90/411493290.db2.gz UFBBCQUVVUFJBU-TUAOUCFPSA-N 0 3 240.347 0.843 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@H](C)CCS(C)(=O)=O)CO1 ZINC000657401264 411495838 /nfs/dbraw/zinc/49/58/38/411495838.db2.gz UIADFWWWWDRGKG-GMTAPVOTSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cnc2n1CCC2 ZINC000657401905 411496010 /nfs/dbraw/zinc/49/60/10/411496010.db2.gz HSJFNDIVBMONML-QMMMGPOBSA-N 0 3 222.292 0.183 20 0 BCADHN Cc1ncc(CNC2(CO)CCC2)n1C ZINC000657401108 411496393 /nfs/dbraw/zinc/49/63/93/411496393.db2.gz QXMRQUDYBWTKIH-UHFFFAOYSA-N 0 3 209.293 0.733 20 0 BCADHN CC[C@@H]1CN(CCc2c[nH]nn2)C[C@H](C)O1 ZINC000659917624 411498349 /nfs/dbraw/zinc/49/83/49/411498349.db2.gz HPILCHWGEZDLKK-GXSJLCMTSA-N 0 3 224.308 0.847 20 0 BCADHN CC(C)C[C@H]1COCCN1C[C@@H]1CNC(=O)C1 ZINC000659926642 411499988 /nfs/dbraw/zinc/49/99/88/411499988.db2.gz BNXIKNDNIDGCEI-RYUDHWBXSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)C[C@@H]1COCCN1C[C@@H]1CNC(=O)C1 ZINC000659926641 411500412 /nfs/dbraw/zinc/50/04/12/411500412.db2.gz BNXIKNDNIDGCEI-NWDGAFQWSA-N 0 3 240.347 0.869 20 0 BCADHN Cn1cc(CN[C@@H]2CCc3c(nnn3C)C2)cn1 ZINC000655841465 411534194 /nfs/dbraw/zinc/53/41/94/411534194.db2.gz DDJSTVSXSLVGFI-SNVBAGLBSA-N 0 3 246.318 0.196 20 0 BCADHN COC[C@@H](CN1CCC[C@H](OCCO)C1)OC ZINC000659932251 411501424 /nfs/dbraw/zinc/50/14/24/411501424.db2.gz YEGOJLXTIKAWCJ-NWDGAFQWSA-N 0 3 247.335 0.121 20 0 BCADHN COC[C@H](CN1CCN(C2CCC2)CC1)OC ZINC000659930498 411502056 /nfs/dbraw/zinc/50/20/56/411502056.db2.gz ZFWCYBAZDOERKS-ZDUSSCGKSA-N 0 3 242.363 0.818 20 0 BCADHN CCN1CCCN(C(=O)Cn2cccn2)CC1 ZINC000334250832 169963231 /nfs/dbraw/zinc/96/32/31/169963231.db2.gz BBILKZXFLNCJEL-UHFFFAOYSA-N 0 3 236.319 0.437 20 0 BCADHN CCN1CC[C@H](N(C)CC(C)(C)O)C1=O ZINC000659932956 411503209 /nfs/dbraw/zinc/50/32/09/411503209.db2.gz RRSVWMPWKNDTDJ-VIFPVBQESA-N 0 3 214.309 0.310 20 0 BCADHN C[C@H]1CSCCN1CCc1cn[nH]n1 ZINC000659944981 411505416 /nfs/dbraw/zinc/50/54/16/411505416.db2.gz QRCHYXFRNIUSFO-QMMMGPOBSA-N 0 3 212.322 0.785 20 0 BCADHN C[C@H]1CSCCN1CCc1c[nH]nn1 ZINC000659944981 411505417 /nfs/dbraw/zinc/50/54/17/411505417.db2.gz QRCHYXFRNIUSFO-QMMMGPOBSA-N 0 3 212.322 0.785 20 0 BCADHN C[C@H](N[C@H]1CCO[C@@H]1C)C(=O)NCCF ZINC000336746368 411505456 /nfs/dbraw/zinc/50/54/56/411505456.db2.gz BVRPZIVXAFDXGJ-YIZRAAEISA-N 0 3 218.272 0.228 20 0 BCADHN Cn1ccc(CCNCc2cnc3n2CCC3)n1 ZINC000657434185 411506419 /nfs/dbraw/zinc/50/64/19/411506419.db2.gz HHDFZMFNGJDJFL-UHFFFAOYSA-N 0 3 245.330 0.895 20 0 BCADHN Cc1nocc1CN[C@H]1CCc2c(nnn2C)C1 ZINC000655840595 411534472 /nfs/dbraw/zinc/53/44/72/411534472.db2.gz DYWJDNBVAKDMLP-JTQLQIEISA-N 0 3 247.302 0.759 20 0 BCADHN COC[C@H](CNCc1cnc2n1CCC2)OC ZINC000657428778 411506624 /nfs/dbraw/zinc/50/66/24/411506624.db2.gz BACHZSPMEVCHKX-NSHDSACASA-N 0 3 239.319 0.580 20 0 BCADHN COC[C@H](CNCc1cnn2c1CCC2)OC ZINC000657429511 411507175 /nfs/dbraw/zinc/50/71/75/411507175.db2.gz JEIBPTATCJKJLR-NSHDSACASA-N 0 3 239.319 0.580 20 0 BCADHN CC(C)(F)CNC(=O)[C@@H]1NCC1(C)C ZINC000638812860 411508784 /nfs/dbraw/zinc/50/87/84/411508784.db2.gz NNAUAZTZXGDYKB-ZETCQYMHSA-N 0 3 202.273 0.849 20 0 BCADHN C[C@H](O)CN(C)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000659953681 411509528 /nfs/dbraw/zinc/50/95/28/411509528.db2.gz SGPKNFGWGJNPLP-FIQHERPVSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@H](O)CN(C)CCc1nnn(C(C)(C)C)n1 ZINC000659952986 411510106 /nfs/dbraw/zinc/51/01/06/411510106.db2.gz LTNMVHGRDFDWNY-VIFPVBQESA-N 0 3 241.339 0.283 20 0 BCADHN COC[C@H](CN(C)CC[C@@H](C)O)OC ZINC000659955823 411510721 /nfs/dbraw/zinc/51/07/21/411510721.db2.gz NUXJKYYZMANORH-ZJUUUORDSA-N 0 3 205.298 0.351 20 0 BCADHN CO[C@H](C)CNCc1cnc2n1CCC2 ZINC000657445684 411512846 /nfs/dbraw/zinc/51/28/46/411512846.db2.gz IOUXPRCPCHIMJB-SECBINFHSA-N 0 3 209.293 0.954 20 0 BCADHN O=C1C[C@@H](CN2CCc3ccc(O)cc3C2)CN1 ZINC000660078193 411534781 /nfs/dbraw/zinc/53/47/81/411534781.db2.gz RUTVLDZPSUQCIR-SNVBAGLBSA-N 0 3 246.310 0.886 20 0 BCADHN Cc1c[nH]c(CNC[C@@H]2CC[C@H](O)C2)n1 ZINC000657446528 411513608 /nfs/dbraw/zinc/51/36/08/411513608.db2.gz QLWQVMLRXVQROB-ZJUUUORDSA-N 0 3 209.293 0.969 20 0 BCADHN Cc1c[nH]c(CNC[C@H]2CC[C@@H](O)C2)n1 ZINC000657446371 411513881 /nfs/dbraw/zinc/51/38/81/411513881.db2.gz QLWQVMLRXVQROB-VHSXEESVSA-N 0 3 209.293 0.969 20 0 BCADHN OC[C@H](O)CNCc1cc2ccncc2s1 ZINC000657454432 411515191 /nfs/dbraw/zinc/51/51/91/411515191.db2.gz KVWBADYJNZSHCQ-SECBINFHSA-N 0 3 238.312 0.739 20 0 BCADHN CO[C@@](C)(CO)CN[C@H](C)c1cncnc1C ZINC000655794945 411515766 /nfs/dbraw/zinc/51/57/66/411515766.db2.gz AJAOLURHAOMQBJ-BXKDBHETSA-N 0 3 239.319 0.833 20 0 BCADHN OCCCCNCc1cnc2n1CCC2 ZINC000657451465 411517186 /nfs/dbraw/zinc/51/71/86/411517186.db2.gz VAENWGWWORVCGO-UHFFFAOYSA-N 0 3 209.293 0.691 20 0 BCADHN Cn1nnc2c1CC[C@H](NCc1ccccn1)C2 ZINC000655844071 411534977 /nfs/dbraw/zinc/53/49/77/411534977.db2.gz YDUNBDRCBYTREF-JTQLQIEISA-N 0 3 243.314 0.857 20 0 BCADHN CO[C@@](C)(CO)CNCc1ccnn1C(C)C ZINC000655808276 411521382 /nfs/dbraw/zinc/52/13/82/411521382.db2.gz WIJDYKSYVFBPBJ-GFCCVEGCSA-N 0 3 241.335 0.951 20 0 BCADHN CO[C@](C)(CO)CNCc1cnccc1C ZINC000655807675 411521450 /nfs/dbraw/zinc/52/14/50/411521450.db2.gz MXNZHYTZJDAKON-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN CO[C@](C)(CO)CNCc1cnc(C)nc1 ZINC000655809012 411522149 /nfs/dbraw/zinc/52/21/49/411522149.db2.gz OHLKBUNAJDGJSN-NSHDSACASA-N 0 3 225.292 0.272 20 0 BCADHN CO[C@@](C)(CO)CNCc1cnc2ccccn12 ZINC000655808528 411522166 /nfs/dbraw/zinc/52/21/66/411522166.db2.gz BKDFYGORKPCYFM-CYBMUJFWSA-N 0 3 249.314 0.821 20 0 BCADHN CCCn1cc(CNC[C@](C)(CO)OC)cn1 ZINC000655808854 411522672 /nfs/dbraw/zinc/52/26/72/411522672.db2.gz KHIBMRXZZVPYEH-GFCCVEGCSA-N 0 3 241.335 0.780 20 0 BCADHN CO[C@@](C)(CO)CNCc1cccnc1C ZINC000655808495 411522827 /nfs/dbraw/zinc/52/28/27/411522827.db2.gz ATZPKWLNFKEBOS-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN CC1(C)C[C@@H](N2CCC(NC(N)=O)CC2)CO1 ZINC000659994848 411523058 /nfs/dbraw/zinc/52/30/58/411523058.db2.gz ZYRGFUVSVLTFOC-SNVBAGLBSA-N 0 3 241.335 0.687 20 0 BCADHN COC[C@H](CN1CCC(C)(O)CC1)OC ZINC000660001809 411526176 /nfs/dbraw/zinc/52/61/76/411526176.db2.gz FRNAWFPZHRIWSD-JTQLQIEISA-N 0 3 217.309 0.495 20 0 BCADHN O=C(N[C@@H]1CCOC1)[C@H]1CNCc2ccccc21 ZINC000131417056 411526265 /nfs/dbraw/zinc/52/62/65/411526265.db2.gz VWEJNDLABLQDJZ-YPMHNXCESA-N 0 3 246.310 0.779 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N(C)CCOC)C1 ZINC000660028199 411529343 /nfs/dbraw/zinc/52/93/43/411529343.db2.gz SJUORCRVDYZVJF-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN CCCN1CC[C@@H](NS(=O)(=O)CC2CC2)C1 ZINC000660027652 411529393 /nfs/dbraw/zinc/52/93/93/411529393.db2.gz NBCSIXUZDMRPEY-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN CNC(=O)C[C@@H](C)NCc1cnc2n1CCC2 ZINC000657485303 411529823 /nfs/dbraw/zinc/52/98/23/411529823.db2.gz ZAVOGOLVXVHSFP-SECBINFHSA-N 0 3 236.319 0.444 20 0 BCADHN Cc1cnc(CCNCc2cn[nH]c2)cn1 ZINC000657488614 411531985 /nfs/dbraw/zinc/53/19/85/411531985.db2.gz TZXIYJLJZDZTHW-UHFFFAOYSA-N 0 3 217.276 0.840 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000335150871 170011341 /nfs/dbraw/zinc/01/13/41/170011341.db2.gz SUGHKXSFZNSERE-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC000335149234 170012161 /nfs/dbraw/zinc/01/21/61/170012161.db2.gz GOXIKECYHOJSIO-SECBINFHSA-N 0 3 248.330 0.722 20 0 BCADHN CCN1CC[C@@H]2OCCN(C[C@@H](C)OC)[C@H]2C1 ZINC000339380115 170013628 /nfs/dbraw/zinc/01/36/28/170013628.db2.gz KZWVIUDBTBNOHT-AGIUHOORSA-N 0 3 242.363 0.816 20 0 BCADHN CCN1CC[C@@H]2OCCN(CCOC)[C@H]2C1 ZINC000339387440 170014353 /nfs/dbraw/zinc/01/43/53/170014353.db2.gz KSALHHOWLVIERE-RYUDHWBXSA-N 0 3 228.336 0.428 20 0 BCADHN CCN1CC[C@H](NC(=O)N[C@H]2CCO[C@H]2C)C1 ZINC000334031196 170017948 /nfs/dbraw/zinc/01/79/48/170017948.db2.gz LDMSWGMJHSNPCN-DCAQKATOSA-N 0 3 241.335 0.557 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000335150593 170019145 /nfs/dbraw/zinc/01/91/45/170019145.db2.gz OEUYKNPUPCSGPY-WDEREUQCSA-N 0 3 225.336 0.291 20 0 BCADHN c1n[nH]nc1CCN1CCc2c[nH]nc2C1 ZINC000660119612 411539001 /nfs/dbraw/zinc/53/90/01/411539001.db2.gz RFKCMARAAHKPAV-UHFFFAOYSA-N 0 3 218.264 0.129 20 0 BCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN ZINC000236848631 170024730 /nfs/dbraw/zinc/02/47/30/170024730.db2.gz NUKYWWHKAQYZBZ-ZJUUUORDSA-N 0 3 211.309 0.030 20 0 BCADHN O=C1CCCN1CCNCc1cnn2c1CCC2 ZINC000657502320 411539517 /nfs/dbraw/zinc/53/95/17/411539517.db2.gz MPFDOHXXQFTSRG-UHFFFAOYSA-N 0 3 248.330 0.541 20 0 BCADHN CCN1C[C@@H](C)N(C(=O)c2cnc[nH]2)C[C@H]1C ZINC000336248397 170028033 /nfs/dbraw/zinc/02/80/33/170028033.db2.gz ZJJLZNNFSYFDAU-NXEZZACHSA-N 0 3 236.319 0.964 20 0 BCADHN CCN1CC[C@H](N2CCC[C@@H]([C@H](C)O)C2)C1=O ZINC000660116684 411539687 /nfs/dbraw/zinc/53/96/87/411539687.db2.gz JQAWPQNLHDTMOX-TUAOUCFPSA-N 0 3 240.347 0.700 20 0 BCADHN CCN1C[C@@H](C)N(CCCNC(C)=O)C[C@@H]1C ZINC000346186566 170028791 /nfs/dbraw/zinc/02/87/91/170028791.db2.gz MHQXWLCUORHRHF-NWDGAFQWSA-N 0 3 241.379 0.927 20 0 BCADHN CO[C@@](C)(CO)CNCc1cnn2c1CCC2 ZINC000657505954 411540039 /nfs/dbraw/zinc/54/00/39/411540039.db2.gz XMTJQJZEHHMAMM-GFCCVEGCSA-N 0 3 239.319 0.316 20 0 BCADHN CCN1C[C@H](C)N(CC(=O)NC2CC2)C[C@H]1C ZINC000346178540 170033161 /nfs/dbraw/zinc/03/31/61/170033161.db2.gz JAZBOFXWWSXQJL-MNOVXSKESA-N 0 3 239.363 0.680 20 0 BCADHN CCN1C[C@H](C)N(C(=O)c2cnc[nH]2)C[C@H]1C ZINC000336248400 170034047 /nfs/dbraw/zinc/03/40/47/170034047.db2.gz ZJJLZNNFSYFDAU-ZJUUUORDSA-N 0 3 236.319 0.964 20 0 BCADHN CCN1C[C@H](C)N(Cc2ncnn2C)C[C@H]1C ZINC000346168608 170034141 /nfs/dbraw/zinc/03/41/41/170034141.db2.gz QDAHFHFKKPAWEM-MNOVXSKESA-N 0 3 237.351 0.730 20 0 BCADHN CCN1C[C@H](C)N(C[C@@H](O)COC)C[C@@H]1C ZINC000346165377 170034377 /nfs/dbraw/zinc/03/43/77/170034377.db2.gz AOISZWFCDOZYFI-SDDRHHMPSA-N 0 3 230.352 0.408 20 0 BCADHN CCN1C[C@H](C)[C@H](NCC(=O)NC(C)(C)C)C1 ZINC000358008089 170037560 /nfs/dbraw/zinc/03/75/60/170037560.db2.gz AUDPEFNFYJXTEB-WDEREUQCSA-N 0 3 241.379 0.831 20 0 BCADHN CCN1C[C@H](N[C@@H]2CCSC2)CC1=O ZINC000307343417 170040842 /nfs/dbraw/zinc/04/08/42/170040842.db2.gz XESYZCZJLFGBEX-RKDXNWHRSA-N 0 3 214.334 0.702 20 0 BCADHN CCNC(=O)CC(=O)N(C)CCN(C)C1CC1 ZINC000354074920 170044443 /nfs/dbraw/zinc/04/44/43/170044443.db2.gz JSERMAXGEVSCGT-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CCNC(=O)CC(=O)N1CCC[C@H]1CN(C)C ZINC000330783247 170045412 /nfs/dbraw/zinc/04/54/12/170045412.db2.gz ZQUQFGBAQGUYKV-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CCN1CCN(Cc2cn(C)cn2)C[C@H]1C ZINC000660124879 411541545 /nfs/dbraw/zinc/54/15/45/411541545.db2.gz DDIYNYCGXBRJEY-LLVKDONJSA-N 0 3 222.336 0.946 20 0 BCADHN CCNC(=O)CCCC(=O)NC[C@@H](C)N(C)C ZINC000355544143 170049080 /nfs/dbraw/zinc/04/90/80/170049080.db2.gz JKKARGFHOJYAQG-SNVBAGLBSA-N 0 3 243.351 0.359 20 0 BCADHN C[C@@H](CO)N(C)CCO[C@H]1CC1(F)F ZINC000660125285 411541746 /nfs/dbraw/zinc/54/17/46/411541746.db2.gz NHSIZRFQRILMOO-YUMQZZPRSA-N 0 3 209.236 0.723 20 0 BCADHN CCNC(=O)CCN1CCOC[C@@H](C)C1 ZINC000372215867 170051921 /nfs/dbraw/zinc/05/19/21/170051921.db2.gz IECXOPDYZDRRDF-JTQLQIEISA-N 0 3 214.309 0.481 20 0 BCADHN CCNC(=O)CCN[C@H](CO)c1ccsc1 ZINC000309645117 170053536 /nfs/dbraw/zinc/05/35/36/170053536.db2.gz MAMNFALJNQJLDW-SNVBAGLBSA-N 0 3 242.344 0.897 20 0 BCADHN CCNC(=O)CN(C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000366661933 170054894 /nfs/dbraw/zinc/05/48/94/170054894.db2.gz HNPJEXYUPZYCGF-MVWJERBFSA-N 0 3 240.347 0.868 20 0 BCADHN CCNC(=O)CN1CCCC[C@@H]1[C@@H](O)CC ZINC000112680862 170058535 /nfs/dbraw/zinc/05/85/35/170058535.db2.gz JLFVUZJPGAALJW-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN CCNC(=O)CN1CC[C@@H](C2CCOCC2)C1 ZINC000361955716 170059596 /nfs/dbraw/zinc/05/95/96/170059596.db2.gz VOXZZTNYARAIQU-GFCCVEGCSA-N 0 3 240.347 0.871 20 0 BCADHN CCNC(=O)CN1CCC[C@@]1(CO)CC(C)C ZINC000331359790 170060462 /nfs/dbraw/zinc/06/04/62/170060462.db2.gz WYPFSHLUAMIGCL-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CCNC(=O)CN1C[C@H](C)N(CC)C[C@H]1C ZINC000346150938 170061090 /nfs/dbraw/zinc/06/10/90/170061090.db2.gz AYFPNFTVUUJOQN-WDEREUQCSA-N 0 3 227.352 0.537 20 0 BCADHN CCNC(=O)CN1C[C@H]2CCC[C@@H](C1)C2O ZINC000363234517 170061381 /nfs/dbraw/zinc/06/13/81/170061381.db2.gz NRHQCSJREOUEBI-DHHPTOIESA-N 0 3 226.320 0.215 20 0 BCADHN CCNC(=O)CN[C@H]1CCCSC1 ZINC000061573195 170065286 /nfs/dbraw/zinc/06/52/86/170065286.db2.gz IVLAWCFRYGYWAP-QMMMGPOBSA-N 0 3 202.323 0.608 20 0 BCADHN CCNC(=O)CN[C@H]1CCCC[C@H]1OC ZINC000037262533 170065886 /nfs/dbraw/zinc/06/58/86/170065886.db2.gz OIIHHBIUCIELAB-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN CN(C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCNC1=O ZINC000660135306 411543417 /nfs/dbraw/zinc/54/34/17/411543417.db2.gz WXJPXOIKMOKERT-VLEAKVRGSA-N 0 3 208.305 0.853 20 0 BCADHN CCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000336573096 170083529 /nfs/dbraw/zinc/08/35/29/170083529.db2.gz RKQSXMREPBBUFD-WPRPVWTQSA-N 0 3 211.309 0.788 20 0 BCADHN CCNC(=O)[C@@H](C)NCC1=CCCOC1 ZINC000269305843 170087734 /nfs/dbraw/zinc/08/77/34/170087734.db2.gz UCZNNEFZRPBPAG-SECBINFHSA-N 0 3 212.293 0.447 20 0 BCADHN CN(CCc1c[nH]nn1)Cc1cn[nH]c1 ZINC000660091506 411536370 /nfs/dbraw/zinc/53/63/70/411536370.db2.gz KBOGPHIPGOPTQA-UHFFFAOYSA-N 0 3 206.253 0.202 20 0 BCADHN CCNC(=O)[C@@H](NCCCO)C(C)C ZINC000339326825 170090822 /nfs/dbraw/zinc/09/08/22/170090822.db2.gz RKWFNTQETHUAQB-VIFPVBQESA-N 0 3 202.298 0.119 20 0 BCADHN CCNC(=O)[C@@H](NCCOC)C(C)C ZINC000339318379 170091306 /nfs/dbraw/zinc/09/13/06/170091306.db2.gz PSELDNPFLSSMNS-VIFPVBQESA-N 0 3 202.298 0.383 20 0 BCADHN CCNC(=O)[C@@H](NCCn1ccnc1)C(C)C ZINC000293135828 170092271 /nfs/dbraw/zinc/09/22/71/170092271.db2.gz CIJKXZUZUXAXKI-NSHDSACASA-N 0 3 238.335 0.633 20 0 BCADHN CCNC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000036135312 170093501 /nfs/dbraw/zinc/09/35/01/170093501.db2.gz PGIKWHRUBLNARM-IUCAKERBSA-N 0 3 229.324 0.001 20 0 BCADHN CCNC(=O)[C@H](C)NC(=O)c1cccc(CN)c1 ZINC000036127840 170094478 /nfs/dbraw/zinc/09/44/78/170094478.db2.gz OWVYWDPXQUJALF-VIFPVBQESA-N 0 3 249.314 0.400 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000128518517 170095807 /nfs/dbraw/zinc/09/58/07/170095807.db2.gz PYARSDWYNKBTAW-GARJFASQSA-N 0 3 239.363 0.726 20 0 BCADHN Cc1nc(CNCCCc2ncn(C)n2)[nH]c1C ZINC000657497804 411537139 /nfs/dbraw/zinc/53/71/39/411537139.db2.gz CBRMHJKXCMCWKZ-UHFFFAOYSA-N 0 3 248.334 0.877 20 0 BCADHN CCNC(=O)[C@H](NC[C@@H]1CCCO1)C(C)C ZINC000339328178 170098075 /nfs/dbraw/zinc/09/80/75/170098075.db2.gz GTLUIYVKEPOIPA-WDEREUQCSA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H]2COC[C@H]2OC)CO1 ZINC000657498347 411537469 /nfs/dbraw/zinc/53/74/69/411537469.db2.gz FDSYLPLCPCISJH-LNFKQOIKSA-N 0 3 215.293 0.557 20 0 BCADHN CN(C)C(=O)NCCN(C)[C@@H]1COC(C)(C)C1 ZINC000660166098 411550627 /nfs/dbraw/zinc/55/06/27/411550627.db2.gz PZEBYLLNQPFIID-JTQLQIEISA-N 0 3 243.351 0.757 20 0 BCADHN Cc1c[nH]nc1CN[C@@H](CO)C1CCC1 ZINC000657559797 411550643 /nfs/dbraw/zinc/55/06/43/411550643.db2.gz RGYNORFIZIRIKS-NSHDSACASA-N 0 3 209.293 0.969 20 0 BCADHN Cn1nncc1CN[C@@H]1CCN(C(C)(C)C)C1 ZINC000657562338 411552104 /nfs/dbraw/zinc/55/21/04/411552104.db2.gz NLXYTSXAULCESE-SNVBAGLBSA-N 0 3 237.351 0.778 20 0 BCADHN CCNS(=O)(=O)[C@@H]1CCN(CCC2CC2)C1 ZINC000356983150 170136434 /nfs/dbraw/zinc/13/64/34/170136434.db2.gz UJUORAXUWBKALA-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN CC[NH2+][C@@H](C)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000359273745 170140444 /nfs/dbraw/zinc/14/04/44/170140444.db2.gz JGTSWJCDMQUKEV-QMMMGPOBSA-N 0 3 246.332 0.864 20 0 BCADHN OC/C=C\CNCc1cnc2ccccn12 ZINC000657592879 411555964 /nfs/dbraw/zinc/55/59/64/411555964.db2.gz NIARNOCTVBIFIX-RQOWECAXSA-N 0 3 217.272 0.972 20 0 BCADHN O=C1NC(=O)N2CCN(CC3CC=CC3)C[C@@H]12 ZINC000660147171 411545652 /nfs/dbraw/zinc/54/56/52/411545652.db2.gz MVGSSPJZZWAROU-JTQLQIEISA-N 0 3 235.287 0.189 20 0 BCADHN CO[C@H](CNCc1cn[nH]c1)[C@@H]1CCOC1 ZINC000657541853 411547188 /nfs/dbraw/zinc/54/71/88/411547188.db2.gz GQVSQJIWVNKSNF-GHMZBOCLSA-N 0 3 225.292 0.551 20 0 BCADHN CO[C@H](CNCc1cnn(C)c1)[C@H]1CCOC1 ZINC000657542145 411547498 /nfs/dbraw/zinc/54/74/98/411547498.db2.gz HRELNEAZVMZSBM-NWDGAFQWSA-N 0 3 239.319 0.561 20 0 BCADHN O[C@]1(CN2CCOC3(CCC3)C2)CCCOC1 ZINC000660159026 411548794 /nfs/dbraw/zinc/54/87/94/411548794.db2.gz XWUCYCBWQURTBI-LBPRGKRZSA-N 0 3 241.331 0.783 20 0 BCADHN COC[C@@H](CN(C)CCc1cnccn1)OC ZINC000660164978 411549389 /nfs/dbraw/zinc/54/93/89/411549389.db2.gz AVLAGSBXEYWMBL-GFCCVEGCSA-N 0 3 239.319 0.612 20 0 BCADHN CCOC(=O)C1(C)CCN(C(=O)[C@H](C)N)CC1 ZINC000367917371 170190034 /nfs/dbraw/zinc/19/00/34/170190034.db2.gz LXAOGNYPYMFSSL-VIFPVBQESA-N 0 3 242.319 0.525 20 0 BCADHN CCOC(=O)C1CCN(C(=O)C(C)(C)N)CC1 ZINC000019672456 170193105 /nfs/dbraw/zinc/19/31/05/170193105.db2.gz BXQDSOTZRQFHCE-UHFFFAOYSA-N 0 3 242.319 0.525 20 0 BCADHN CCOC(=O)C1CCN(C[C@@H](C)O)CC1 ZINC000037693801 170193388 /nfs/dbraw/zinc/19/33/88/170193388.db2.gz CMXSITMIYDNVPG-SECBINFHSA-N 0 3 215.293 0.642 20 0 BCADHN CCOC(=O)CC(=O)N1CCC[C@@H]1CN(C)C ZINC000362500091 170193908 /nfs/dbraw/zinc/19/39/08/170193908.db2.gz SRZSGMNIXCZGBS-SNVBAGLBSA-N 0 3 242.319 0.492 20 0 BCADHN CCOC(=O)CC(=O)NC1CCN(CC)CC1 ZINC000354312561 170195832 /nfs/dbraw/zinc/19/58/32/170195832.db2.gz RSERUQNEVFCHQQ-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN CCOC(=O)CC(=O)N[C@H](C)CN(C)C ZINC000346181114 170196597 /nfs/dbraw/zinc/19/65/97/170196597.db2.gz HPGHYXFGBPBMES-MRVPVSSYSA-N 0 3 216.281 0.006 20 0 BCADHN CCOC(=O)CCCCN(C)CC(=O)NC ZINC000352871491 170199695 /nfs/dbraw/zinc/19/96/95/170199695.db2.gz ONZXPJKZKOJXHX-UHFFFAOYSA-N 0 3 230.308 0.398 20 0 BCADHN CCOC(=O)CCCN1CC[C@@H](CO)C1 ZINC000304293351 170202060 /nfs/dbraw/zinc/20/20/60/170202060.db2.gz MVCIYSVNMPYYDV-SNVBAGLBSA-N 0 3 215.293 0.644 20 0 BCADHN CCOC(=O)CCCN1C[C@H](O)C2(CC2)C1 ZINC000368782710 170202151 /nfs/dbraw/zinc/20/21/51/170202151.db2.gz DXJKAMNKBLQJJQ-JTQLQIEISA-N 0 3 227.304 0.786 20 0 BCADHN CCn1cc(CN[C@H]2CN(C)C[C@@H]2C)nn1 ZINC000657623842 411566037 /nfs/dbraw/zinc/56/60/37/411566037.db2.gz GYHIZZYIBDAQMC-ONGXEEELSA-N 0 3 223.324 0.338 20 0 BCADHN CCn1cc(CN[C@@H]2CN(C)C[C@H]2C)nn1 ZINC000657623841 411566059 /nfs/dbraw/zinc/56/60/59/411566059.db2.gz GYHIZZYIBDAQMC-MWLCHTKSSA-N 0 3 223.324 0.338 20 0 BCADHN CCOC(=O)CCN1CCC(O)CC1 ZINC000036667604 170204645 /nfs/dbraw/zinc/20/46/45/170204645.db2.gz FNOVMYNAZZUYMG-UHFFFAOYSA-N 0 3 201.266 0.396 20 0 BCADHN CCOC(=O)CCN1CCC2(CC1)OCCO2 ZINC000055058934 170205197 /nfs/dbraw/zinc/20/51/97/170205197.db2.gz UDDZNVSKLXPNPW-UHFFFAOYSA-N 0 3 243.303 0.779 20 0 BCADHN CCOC(=O)CCN1CCCC[C@H]1C(=N)NO ZINC000368527954 170205913 /nfs/dbraw/zinc/20/59/13/170205913.db2.gz WZQQHLMBAYIGQY-VIFPVBQESA-N 0 3 243.307 0.750 20 0 BCADHN CCOC(=O)CCN1CCC[C@@H](C(=O)NC)C1 ZINC000111694137 170206129 /nfs/dbraw/zinc/20/61/29/170206129.db2.gz RMSLOYVYWAMEOP-SNVBAGLBSA-N 0 3 242.319 0.398 20 0 BCADHN COC[C@@H](CN(C)CCN(C)C1CC1)OC ZINC000660302532 411566113 /nfs/dbraw/zinc/56/61/13/411566113.db2.gz FOPHTUJTHXQQAY-GFCCVEGCSA-N 0 3 230.352 0.674 20 0 BCADHN CCOC(=O)CCN1CCC[C@H](C(=O)NC)C1 ZINC000111694135 170206424 /nfs/dbraw/zinc/20/64/24/170206424.db2.gz RMSLOYVYWAMEOP-JTQLQIEISA-N 0 3 242.319 0.398 20 0 BCADHN CCOC(=O)CCN1CCN(C)[C@H](C)[C@@H]1C ZINC000357011760 170206638 /nfs/dbraw/zinc/20/66/38/170206638.db2.gz YHYYNTDTOHSMKK-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CCOC(=O)CCN1CC[C@@H]1COC ZINC000339288099 170206665 /nfs/dbraw/zinc/20/66/65/170206665.db2.gz VCQWIPWCATXAQX-SECBINFHSA-N 0 3 201.266 0.660 20 0 BCADHN CCOC(=O)CCN1C[C@@H](O)C2(CC2)C1 ZINC000364418291 170206881 /nfs/dbraw/zinc/20/68/81/170206881.db2.gz SKHXHOMZMVYHFN-SECBINFHSA-N 0 3 213.277 0.396 20 0 BCADHN CCOC(=O)CCN1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000366581555 170206887 /nfs/dbraw/zinc/20/68/87/170206887.db2.gz ZPCGBSVNEXVMHB-NXEZZACHSA-N 0 3 243.303 0.681 20 0 BCADHN CCOC(=O)CCN1C[C@H](O)C[C@H]1C ZINC000340938399 170206941 /nfs/dbraw/zinc/20/69/41/170206941.db2.gz WDXHQCPDDTWDON-RKDXNWHRSA-N 0 3 201.266 0.395 20 0 BCADHN CCOC(=O)CCN[C@H](CO)[C@@H]1CCCO1 ZINC000336779003 170210139 /nfs/dbraw/zinc/21/01/39/170210139.db2.gz MYEJNXYAUIAVRW-ZJUUUORDSA-N 0 3 231.292 0.069 20 0 BCADHN CCOC(=O)CC[C@@H](C)NC(=O)C1(N)CC1 ZINC000353742063 170211174 /nfs/dbraw/zinc/21/11/74/170211174.db2.gz FMRIONGOMBTJGO-MRVPVSSYSA-N 0 3 228.292 0.326 20 0 BCADHN CCOC(=O)CN1CCCC[C@H]1C(=N)NO ZINC000374179185 170219614 /nfs/dbraw/zinc/21/96/14/170219614.db2.gz ZGGHTKFSNVYGLK-QMMMGPOBSA-N 0 3 229.280 0.360 20 0 BCADHN CCOC(=O)CNC(=O)[C@H](C(C)C)N(C)C ZINC000121077319 170224191 /nfs/dbraw/zinc/22/41/91/170224191.db2.gz JAMXDUBNAWJXMQ-JTQLQIEISA-N 0 3 230.308 0.252 20 0 BCADHN CCOC(=O)COCCN1CC[C@@H](CO)[C@@H]1C ZINC000352341934 170228002 /nfs/dbraw/zinc/22/80/02/170228002.db2.gz LZVBAQSUVGSUSE-QWRGUYRKSA-N 0 3 245.319 0.269 20 0 BCADHN CO[C@H](CN(C)[C@@]1(CO)CCOC1)C1CCC1 ZINC000660235509 411557058 /nfs/dbraw/zinc/55/70/58/411557058.db2.gz GMXNSSFFNUZFHP-CHWSQXEVSA-N 0 3 243.347 0.885 20 0 BCADHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1CCO ZINC000372287642 170234735 /nfs/dbraw/zinc/23/47/35/170234735.db2.gz HEPPGFAAQBXJJK-NXEZZACHSA-N 0 3 231.292 0.021 20 0 BCADHN CNC(=O)[C@@H]1CN([C@@H]2CCO[C@H](C)C2)CCO1 ZINC000660239672 411557669 /nfs/dbraw/zinc/55/76/69/411557669.db2.gz VEHPKNMCNIJZGO-MXWKQRLJSA-N 0 3 242.319 0.001 20 0 BCADHN CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)N)C1 ZINC000037820767 170243180 /nfs/dbraw/zinc/24/31/80/170243180.db2.gz XEFYVYQZUSLBCS-RKDXNWHRSA-N 0 3 243.307 0.071 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)N1CCC1 ZINC000338301943 170248438 /nfs/dbraw/zinc/24/84/38/170248438.db2.gz JBJOGYBERORNEN-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NCCCC(C)C ZINC000657601434 411558333 /nfs/dbraw/zinc/55/83/33/411558333.db2.gz CDRVDKAGCPBFEP-GHMZBOCLSA-N 0 3 249.376 0.824 20 0 BCADHN Cn1nnc2cc(CNC/C=C/CO)ccc21 ZINC000657593857 411560284 /nfs/dbraw/zinc/56/02/84/411560284.db2.gz WQNMKWPFOUENQO-NSCUHMNNSA-N 0 3 232.287 0.606 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)N(C)C ZINC000336775335 170269684 /nfs/dbraw/zinc/26/96/84/170269684.db2.gz YTEZIWVQDUNLKQ-BDAKNGLRSA-N 0 3 230.308 0.252 20 0 BCADHN Cc1ncc(CN[C@H](C)C2(CO)CC2)n1C ZINC000657607859 411561992 /nfs/dbraw/zinc/56/19/92/411561992.db2.gz NJSXMLAWEJJVBS-SECBINFHSA-N 0 3 223.320 0.979 20 0 BCADHN CCO[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC000657609733 411562580 /nfs/dbraw/zinc/56/25/80/411562580.db2.gz JEDXLLKQNBPJLD-CZMCAQCFSA-N 0 3 210.281 0.472 20 0 BCADHN CC[C@H](C)CN[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000657603148 411563019 /nfs/dbraw/zinc/56/30/19/411563019.db2.gz IMQFPCPHVBLMNM-IVZWLZJFSA-N 0 3 235.349 0.434 20 0 BCADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC1CCCC1 ZINC000657603659 411563065 /nfs/dbraw/zinc/56/30/65/411563065.db2.gz NLUZOLGFOWPBSL-ZJUUUORDSA-N 0 3 233.333 0.331 20 0 BCADHN C[C@@H]1C[C@H](N2CCN3CCOC[C@H]3C2)CCO1 ZINC000660272386 411563239 /nfs/dbraw/zinc/56/32/39/411563239.db2.gz AFQIGBGZPAKEKW-JHJVBQTASA-N 0 3 240.347 0.570 20 0 BCADHN CCOC(=O)[C@](C)(O)CN(C)C[C@@H](C)OC ZINC000353221508 170283659 /nfs/dbraw/zinc/28/36/59/170283659.db2.gz SFDYZVRMPCAYGX-MWLCHTKSSA-N 0 3 233.308 0.267 20 0 BCADHN CCOC(=O)[C@](C)(O)CN(CC)[C@@H]1CCOC1 ZINC000361584843 170283376 /nfs/dbraw/zinc/28/33/76/170283376.db2.gz AHHCGOKFKMMERV-ZYHUDNBSSA-N 0 3 245.319 0.411 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCC[C@@H](OC)C1 ZINC000331077262 170283888 /nfs/dbraw/zinc/28/38/88/170283888.db2.gz WVTYMSAREKPKHC-ZYHUDNBSSA-N 0 3 245.319 0.411 20 0 BCADHN CCOC(=O)[C@](C)(O)CN(C)[C@H]1CCOC1 ZINC000331062105 170283903 /nfs/dbraw/zinc/28/39/03/170283903.db2.gz OSCWWYNUNULHPT-GXSJLCMTSA-N 0 3 231.292 0.021 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCC[C@@H](CO)C1 ZINC000330900157 170284090 /nfs/dbraw/zinc/28/40/90/170284090.db2.gz AHSHJAJVVBWMCX-ZYHUDNBSSA-N 0 3 245.319 0.005 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CC[C@@H](O)[C@@H](C)C1 ZINC000331176570 170284869 /nfs/dbraw/zinc/28/48/69/170284869.db2.gz XLWYEXMFOZHQMC-HOSYDEDBSA-N 0 3 245.319 0.003 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1C[C@@H](CC)[C@H](O)C1 ZINC000355082059 170284958 /nfs/dbraw/zinc/28/49/58/170284958.db2.gz UNDLSZASHATYMU-CKYFFXLPSA-N 0 3 245.319 0.003 20 0 BCADHN CN(CCO[C@@H]1CC1(F)F)C1CC(O)C1 ZINC000660279359 411565130 /nfs/dbraw/zinc/56/51/30/411565130.db2.gz VOERQYCYJBTEHE-AMDVSUOASA-N 0 3 221.247 0.866 20 0 BCADHN CCOC(=O)c1cc(NC(=O)CNC)cn1C ZINC000262640055 170292394 /nfs/dbraw/zinc/29/23/94/170292394.db2.gz OMUWXVOAJZKGJH-UHFFFAOYSA-N 0 3 239.275 0.360 20 0 BCADHN Cn1cncc1CNCCO[C@H]1CC1(F)F ZINC000657619741 411565275 /nfs/dbraw/zinc/56/52/75/411565275.db2.gz ZVVSPCRZSLTVAF-VIFPVBQESA-N 0 3 231.246 0.934 20 0 BCADHN CCOC1CC(CN2CC[C@@H](NC(N)=O)C2)C1 ZINC000331522936 170325209 /nfs/dbraw/zinc/32/52/09/170325209.db2.gz MGEMLDXZBWWBIS-HSOILSAZSA-N 0 3 241.335 0.544 20 0 BCADHN CCOC1CC(N[C@@H]2CC(=O)N(C)C2)C1 ZINC000308825613 170329147 /nfs/dbraw/zinc/32/91/47/170329147.db2.gz KRYCXXGWMXWMMA-HWOCKDDLSA-N 0 3 212.293 0.374 20 0 BCADHN CCOCC(=O)N(C)CCN1CCCC1 ZINC000103120029 170338229 /nfs/dbraw/zinc/33/82/29/170338229.db2.gz PZHCMJJWKFLZLL-UHFFFAOYSA-N 0 3 214.309 0.577 20 0 BCADHN CCOCCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105327682 170358667 /nfs/dbraw/zinc/35/86/67/170358667.db2.gz DYWSIGKZPSYWDR-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCc1ncc(CNC[C@H](O)CC)cn1 ZINC000657643963 411568069 /nfs/dbraw/zinc/56/80/69/411568069.db2.gz LFRFORMVDBBPFX-SNVBAGLBSA-N 0 3 209.293 0.900 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000657639026 411568397 /nfs/dbraw/zinc/56/83/97/411568397.db2.gz OQSHPPMXUVXPLG-NAKRPEOUSA-N 0 3 247.360 0.719 20 0 BCADHN CCOCCCN(C)[C@@H]1CCN(C)C1=O ZINC000336647342 170370400 /nfs/dbraw/zinc/37/04/00/170370400.db2.gz MELJFUZINZZMBO-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN CCOCCCN(C)CCN1CCOCC1 ZINC000119837866 170370822 /nfs/dbraw/zinc/37/08/22/170370822.db2.gz UVXVBFZRUHHTOL-UHFFFAOYSA-N 0 3 230.352 0.677 20 0 BCADHN CCN1CC[C@H](N2CC[C@H](O)[C@H](C)C2)C1=O ZINC000660331190 411569954 /nfs/dbraw/zinc/56/99/54/411569954.db2.gz QPABSHDUKMHMQK-VWYCJHECSA-N 0 3 226.320 0.310 20 0 BCADHN CCOCCN(C)CCCNC(C)=O ZINC000118005997 170388217 /nfs/dbraw/zinc/38/82/17/170388217.db2.gz WSTJTPWGGOOHEG-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN CCOCCN(C)C[C@@H](C)C(=O)OC ZINC000048336028 170389665 /nfs/dbraw/zinc/38/96/65/170389665.db2.gz NKGDUAHKYBVIFR-SECBINFHSA-N 0 3 203.282 0.764 20 0 BCADHN CCOCCN1CCC(n2cncn2)CC1 ZINC000368847339 170397641 /nfs/dbraw/zinc/39/76/41/170397641.db2.gz XNTBCHJXDMRKOZ-UHFFFAOYSA-N 0 3 224.308 0.952 20 0 BCADHN CCOCCN1CCC[C@@]2(CNC(=O)C2)C1 ZINC000336677250 170397794 /nfs/dbraw/zinc/39/77/94/170397794.db2.gz NLHQYRMTTVKGDQ-GFCCVEGCSA-N 0 3 226.320 0.625 20 0 BCADHN Cc1nccn1CCN[C@@H](CO)c1ccnn1C ZINC000660778733 411627002 /nfs/dbraw/zinc/62/70/02/411627002.db2.gz LLYGYDAMYWOMFX-NSHDSACASA-N 0 3 249.318 0.248 20 0 BCADHN Cc1nccn1CCN[C@H](CO)c1ccnn1C ZINC000660778732 411627695 /nfs/dbraw/zinc/62/76/95/411627695.db2.gz LLYGYDAMYWOMFX-LLVKDONJSA-N 0 3 249.318 0.248 20 0 BCADHN Cc1cc(NC(=O)[C@H](N)CC(F)F)n[nH]1 ZINC000379965186 411630502 /nfs/dbraw/zinc/63/05/02/411630502.db2.gz HDLDPUYSVZHMEI-RXMQYKEDSA-N 0 3 218.207 0.639 20 0 BCADHN CCn1nccc1CNCCOCCF ZINC000663340475 411630726 /nfs/dbraw/zinc/63/07/26/411630726.db2.gz FNIUUJYJHNNTLC-UHFFFAOYSA-N 0 3 215.272 0.979 20 0 BCADHN CCOCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000036230198 170409996 /nfs/dbraw/zinc/40/99/96/170409996.db2.gz NBDLXWKBGRDVTM-GFCCVEGCSA-N 0 3 236.315 0.709 20 0 BCADHN CCCNC(=O)CN1CCCN(CC)C[C@@H]1C ZINC000660787108 411633029 /nfs/dbraw/zinc/63/30/29/411633029.db2.gz HDPUSWPGJSKKQX-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CCN1CCCN(Cc2cnnn2C)[C@H](C)C1 ZINC000660788186 411633062 /nfs/dbraw/zinc/63/30/62/411633062.db2.gz WUBFVYSOSNBIFO-LLVKDONJSA-N 0 3 237.351 0.731 20 0 BCADHN COC[C@@H](O)CN[C@@H](c1ccccc1)[C@H](C)O ZINC000663376776 411640502 /nfs/dbraw/zinc/64/05/02/411640502.db2.gz VDAUQHKGSBIUMC-WCFLWFBJSA-N 0 3 239.315 0.705 20 0 BCADHN CCn1nccc1CNC[C@H](O)Cn1cccn1 ZINC000663377816 411642843 /nfs/dbraw/zinc/64/28/43/411642843.db2.gz VIAMHQRXOCCSOF-LBPRGKRZSA-N 0 3 249.318 0.250 20 0 BCADHN Cc1cc(NCC2(N(C)C)CC2)ncn1 ZINC000397892302 411644283 /nfs/dbraw/zinc/64/42/83/411644283.db2.gz QHGNFXHYPVQKNI-UHFFFAOYSA-N 0 3 206.293 1.291 20 0 BCADHN C[C@@H]1CCC[C@H](CNCc2cnnn2C)O1 ZINC000657663345 411576337 /nfs/dbraw/zinc/57/63/37/411576337.db2.gz FOXXKCUTSUDEFL-MWLCHTKSSA-N 0 3 224.308 0.862 20 0 BCADHN CC[C@H](NCc1cn(CC(N)=O)nn1)C1CC1 ZINC000657682122 411577958 /nfs/dbraw/zinc/57/79/58/411577958.db2.gz VKLGXFXNTHFNLM-JTQLQIEISA-N 0 3 237.307 0.042 20 0 BCADHN C[C@@H]1C(=O)NCCCN1C[C@H]1CCC[C@@H](O)C1 ZINC000660391472 411578266 /nfs/dbraw/zinc/57/82/66/411578266.db2.gz SCSLNICDCBGCAZ-GRYCIOLGSA-N 0 3 240.347 0.748 20 0 BCADHN Cn1cncc1CNC[C@@H](CO)CC1CC1 ZINC000657701319 411580601 /nfs/dbraw/zinc/58/06/01/411580601.db2.gz XSBWZOCYCISMNW-NSHDSACASA-N 0 3 223.320 0.918 20 0 BCADHN CO[C@@H]1CN([C@@H]2COC(C)(C)C2)C[C@@H]1OC ZINC000660407769 411580913 /nfs/dbraw/zinc/58/09/13/411580913.db2.gz DJUMMSHPGMJCTQ-GARJFASQSA-N 0 3 229.320 0.900 20 0 BCADHN COC[C@@H](CN1CCC(CO)(OC)CC1)OC ZINC000660426247 411584025 /nfs/dbraw/zinc/58/40/25/411584025.db2.gz KUZSPXDUUUJUPO-LLVKDONJSA-N 0 3 247.335 0.121 20 0 BCADHN Cn1nccc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000657704825 411584037 /nfs/dbraw/zinc/58/40/37/411584037.db2.gz VNMXVBGPKHGDMI-QWRGUYRKSA-N 0 3 221.304 0.813 20 0 BCADHN Cn1cncc1CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000657708553 411585113 /nfs/dbraw/zinc/58/51/13/411585113.db2.gz ZWPIBLHPZCOPSE-GHMZBOCLSA-N 0 3 221.304 0.813 20 0 BCADHN Cc1c(CN(C)CCc2cn[nH]n2)cnn1C ZINC000660442113 411585165 /nfs/dbraw/zinc/58/51/65/411585165.db2.gz OGWVMPCUFDYWEW-UHFFFAOYSA-N 0 3 234.307 0.521 20 0 BCADHN Cc1c(CN(C)CCc2c[nH]nn2)cnn1C ZINC000660442113 411585167 /nfs/dbraw/zinc/58/51/67/411585167.db2.gz OGWVMPCUFDYWEW-UHFFFAOYSA-N 0 3 234.307 0.521 20 0 BCADHN CCn1nncc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000657710272 411585621 /nfs/dbraw/zinc/58/56/21/411585621.db2.gz URXGFGCRCPWXMY-QWRGUYRKSA-N 0 3 236.319 0.691 20 0 BCADHN O=C1CC[C@@H](CNCc2n[nH]c3ccccc32)N1 ZINC000657711752 411585744 /nfs/dbraw/zinc/58/57/44/411585744.db2.gz JVUJBACXLSRIDK-VIFPVBQESA-N 0 3 244.298 0.931 20 0 BCADHN O=C1CC[C@@H](CNCc2[nH]nc3ccccc32)N1 ZINC000657711752 411585745 /nfs/dbraw/zinc/58/57/45/411585745.db2.gz JVUJBACXLSRIDK-VIFPVBQESA-N 0 3 244.298 0.931 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCc1ncccn1 ZINC000657734489 411589633 /nfs/dbraw/zinc/58/96/33/411589633.db2.gz BYKJFCXOABZKST-ZJUUUORDSA-N 0 3 206.293 0.516 20 0 BCADHN CN(CCCO)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000660479270 411591139 /nfs/dbraw/zinc/59/11/39/411591139.db2.gz ZCBKFYYOMRVIKC-IJLUTSLNSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1C[C@H](N2C[C@@H]3COC[C@H](C2)O3)CCO1 ZINC000660485942 411593199 /nfs/dbraw/zinc/59/31/99/411593199.db2.gz HHDQNYDFPKDWCP-KKOKHZNYSA-N 0 3 227.304 0.654 20 0 BCADHN OC[C@@]1(F)CCN([C@@H]2CCCC[C@H]2O)C1 ZINC000660492413 411593398 /nfs/dbraw/zinc/59/33/98/411593398.db2.gz SAMKGHDHXIYTAP-GMTAPVOTSA-N 0 3 217.284 0.696 20 0 BCADHN Cn1cc(CNC[C@H]2CCOC2(C)C)nn1 ZINC000657784866 411595037 /nfs/dbraw/zinc/59/50/37/411595037.db2.gz GWWXWUMRIOLGEK-SECBINFHSA-N 0 3 224.308 0.720 20 0 BCADHN CO[C@@]1(C)C[C@H]1NCc1cnc(C)n1C ZINC000657791004 411597439 /nfs/dbraw/zinc/59/74/39/411597439.db2.gz ZNFGQQVAEBPVLH-MNOVXSKESA-N 0 3 209.293 0.996 20 0 BCADHN C[C@@H](O)CN(CCO)CCO[C@@H]1CC1(F)F ZINC000660561754 411600457 /nfs/dbraw/zinc/60/04/57/411600457.db2.gz AKTJKTRTKJFCEN-RKDXNWHRSA-N 0 3 239.262 0.086 20 0 BCADHN COC[C@H](C)N1CCC(c2nc(N)n[nH]2)CC1 ZINC000660568741 411601463 /nfs/dbraw/zinc/60/14/63/411601463.db2.gz XMOOIMAXNFPDEC-QMMMGPOBSA-N 0 3 239.323 0.601 20 0 BCADHN COC[C@@H]1CCN1C[C@H](OC)[C@H]1CCOC1 ZINC000660629887 411606397 /nfs/dbraw/zinc/60/63/97/411606397.db2.gz MPUQDWCUMXXGKN-SRVKXCTJSA-N 0 3 229.320 0.759 20 0 BCADHN COC[C@@H]1CCN1C[C@H](OC)[C@@H]1CCOC1 ZINC000660629888 411606446 /nfs/dbraw/zinc/60/64/46/411606446.db2.gz MPUQDWCUMXXGKN-WOPDTQHZSA-N 0 3 229.320 0.759 20 0 BCADHN COc1cc(CN2CC[C@H]3CN(C)C[C@@H]32)on1 ZINC000660612277 411606894 /nfs/dbraw/zinc/60/68/94/411606894.db2.gz ZOUVFSWJURTFGY-ONGXEEELSA-N 0 3 237.303 0.819 20 0 BCADHN Cc1cc(NCCN2CC[C@@H](O)C2)ncn1 ZINC000624677283 411646269 /nfs/dbraw/zinc/64/62/69/411646269.db2.gz BOOMYITYWUJDMZ-SNVBAGLBSA-N 0 3 222.292 0.264 20 0 BCADHN COCC1(NCc2n[nH]c(C)n2)CCOCC1 ZINC000660634528 411610286 /nfs/dbraw/zinc/61/02/86/411610286.db2.gz PTCQVPMLFXBBLF-UHFFFAOYSA-N 0 3 240.307 0.398 20 0 BCADHN CN1C[C@@H](N[C@H]2COC3(CCC3)C2)CC1=O ZINC000657865786 411613014 /nfs/dbraw/zinc/61/30/14/411613014.db2.gz WQEOYWVNFJERMA-VHSXEESVSA-N 0 3 224.304 0.518 20 0 BCADHN COC1([C@H](C)N[C@@H]2CC(=O)N(C)C2)CCC1 ZINC000657864898 411613541 /nfs/dbraw/zinc/61/35/41/411613541.db2.gz QOUANYIAQYZWGM-VHSXEESVSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1CN(CCc2cn[nH]n2)C[C@H](C)N1C ZINC000660659583 411615084 /nfs/dbraw/zinc/61/50/84/411615084.db2.gz ZZMUATPJYUJASC-AOOOYVTPSA-N 0 3 223.324 0.372 20 0 BCADHN CC1(C)C[C@@H](N2CCOC[C@@H](O)C2)CO1 ZINC000660668869 411615502 /nfs/dbraw/zinc/61/55/02/411615502.db2.gz LBXZSCBQPAMSFQ-ZJUUUORDSA-N 0 3 215.293 0.247 20 0 BCADHN CCN1CC[C@H](N2CC[C@](C)(COC)C2)C1=O ZINC000660668793 411615749 /nfs/dbraw/zinc/61/57/49/411615749.db2.gz KHPWAZWKPYALMT-AAEUAGOBSA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@@H](CN1CCOC[C@H](O)C1)C1CCC1 ZINC000660668818 411615892 /nfs/dbraw/zinc/61/58/92/411615892.db2.gz KPNQJAAEQKNXFY-NEPJUHHUSA-N 0 3 229.320 0.495 20 0 BCADHN CCN(C)C(=O)CNC1(CCO)CCCC1 ZINC000660678502 411616739 /nfs/dbraw/zinc/61/67/39/411616739.db2.gz NXSDKQYPIGZJKB-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN CN1CCC(NC(=O)NCCOCCF)CC1 ZINC000660821823 411646449 /nfs/dbraw/zinc/64/64/49/411646449.db2.gz KUQWCKUDFAUZBO-UHFFFAOYSA-N 0 3 247.314 0.366 20 0 BCADHN CCO[C@@H]1COCC[C@@H]1NCC(=O)NC(C)C ZINC000362012477 170479674 /nfs/dbraw/zinc/47/96/74/170479674.db2.gz HIEORFPKXIQMQE-WDEREUQCSA-N 0 3 244.335 0.295 20 0 BCADHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)C1CC1 ZINC000663311024 411621627 /nfs/dbraw/zinc/62/16/27/411621627.db2.gz KUKVAXRFAMTKLI-ZCFIWIBFSA-N 0 3 246.254 0.300 20 0 BCADHN COCCN1CC[C@@H](Nc2ccc(C)nn2)C1 ZINC000663577345 411705329 /nfs/dbraw/zinc/70/53/29/411705329.db2.gz JVAIGLLOOYUZDI-LLVKDONJSA-N 0 3 236.319 0.918 20 0 BCADHN CCN1CCN(CCNc2cncc(C)n2)CC1 ZINC000663399209 411648156 /nfs/dbraw/zinc/64/81/56/411648156.db2.gz VAZHDHIGVFTJSW-UHFFFAOYSA-N 0 3 249.362 0.834 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2conc2C)C1 ZINC000660831760 411649623 /nfs/dbraw/zinc/64/96/23/411649623.db2.gz HCAVYTXNLWDDQI-SECBINFHSA-N 0 3 223.276 0.551 20 0 BCADHN COC[C@H](C)n1ccc(NC(=O)C(C)(C)N)n1 ZINC000568508444 411649808 /nfs/dbraw/zinc/64/98/08/411649808.db2.gz DQYALILRFBCWQV-QMMMGPOBSA-N 0 3 240.307 0.766 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1cc(CC)[nH]n1 ZINC000639013604 411651174 /nfs/dbraw/zinc/65/11/74/411651174.db2.gz PQAMYGLXXRLJNL-ZETCQYMHSA-N 0 3 210.281 0.909 20 0 BCADHN CO[C@@]1(C)C[C@H]1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000660835368 411651463 /nfs/dbraw/zinc/65/14/63/411651463.db2.gz FCNWFGXYRMAWJG-FOGDFJRCSA-N 0 3 241.335 0.557 20 0 BCADHN CCO[C@H]1C[C@H](NC(=O)[C@@H](C)N)C12CCC2 ZINC000162016698 170510433 /nfs/dbraw/zinc/51/04/33/170510433.db2.gz NGLMBEOTYBMWPF-UTLUCORTSA-N 0 3 226.320 0.798 20 0 BCADHN COCc1cc(NCCN(C)C2CC2)ncn1 ZINC000579513966 411654644 /nfs/dbraw/zinc/65/46/44/411654644.db2.gz PWEGDOQHUIAAIP-UHFFFAOYSA-N 0 3 236.319 1.129 20 0 BCADHN OCc1ccnc(N[C@H]2CCN(C3CC3)C2)n1 ZINC000663424838 411655266 /nfs/dbraw/zinc/65/52/66/411655266.db2.gz GZRQZGALAIIVDN-VIFPVBQESA-N 0 3 234.303 0.618 20 0 BCADHN O=S1(=O)CCC[C@@H](NCCOCCF)C1 ZINC000663461707 411663859 /nfs/dbraw/zinc/66/38/59/411663859.db2.gz GOHYNQIDLSLQPP-SECBINFHSA-N 0 3 239.312 0.139 20 0 BCADHN CCN1CC[C@@H](N2CC[C@@H]3OCC[C@@H]3C2)C1=O ZINC000660901895 411665604 /nfs/dbraw/zinc/66/56/04/411665604.db2.gz PIAYXUKVVYJDHD-UTUOFQBUSA-N 0 3 238.331 0.718 20 0 BCADHN CO[C@@H](CN[C@@H]1COC[C@H]1OC)C1CCC1 ZINC000660904545 411666929 /nfs/dbraw/zinc/66/69/29/411666929.db2.gz SHRUWRODEGPFQL-GRYCIOLGSA-N 0 3 229.320 0.805 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CNC(=O)C2)CC2(CCC2)O1 ZINC000660907309 411667820 /nfs/dbraw/zinc/66/78/20/411667820.db2.gz XLKIRKGXOUBVTM-MNOVXSKESA-N 0 3 238.331 0.766 20 0 BCADHN CN(C)CCn1cc(Nc2cnccn2)cn1 ZINC000663477898 411668408 /nfs/dbraw/zinc/66/84/08/411668408.db2.gz KNXRLJUOSGKXJS-UHFFFAOYSA-N 0 3 232.291 0.978 20 0 BCADHN O=C(CC1CCCC1)N1CCOC2(CNC2)C1 ZINC000663484301 411669049 /nfs/dbraw/zinc/66/90/49/411669049.db2.gz XJXXGQIKPVIAES-UHFFFAOYSA-N 0 3 238.331 0.768 20 0 BCADHN Cc1ccc(-c2cc(NC(=O)[C@@H]3C[C@@H]3N)[nH]n2)o1 ZINC000335361492 411669267 /nfs/dbraw/zinc/66/92/67/411669267.db2.gz MXMVEGYRRFCMNQ-SFYZADRCSA-N 0 3 246.270 1.264 20 0 BCADHN Cc1ccccc1C(=O)N1CCOC2(CNC2)C1 ZINC000663483631 411669658 /nfs/dbraw/zinc/66/96/58/411669658.db2.gz OGIGNZHISUQJPN-UHFFFAOYSA-N 0 3 246.310 0.809 20 0 BCADHN CCC[C@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000663485272 411669935 /nfs/dbraw/zinc/66/99/35/411669935.db2.gz CHNUPBXRBCJQCA-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@@H](C)CC(=O)N1CCOC2(CNC2)C1 ZINC000663492246 411670911 /nfs/dbraw/zinc/67/09/11/411670911.db2.gz QGOLGIHPBWVJDA-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CCC(C)(C)C(=O)N1CCOC2(CNC2)C1 ZINC000663488165 411671457 /nfs/dbraw/zinc/67/14/57/411671457.db2.gz PSGCTSIGCOCBIK-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN NC(=O)[C@@]1(NC[C@@H]2C[C@H]3C[C@H]3C2)CCOC1 ZINC000660926884 411677140 /nfs/dbraw/zinc/67/71/40/411677140.db2.gz SRWSJMQCKGTSJY-DTHBNOIPSA-N 0 3 224.304 0.267 20 0 BCADHN COc1cc(C(F)(F)F)nc(NC2CNC2)n1 ZINC000629380288 411682995 /nfs/dbraw/zinc/68/29/95/411682995.db2.gz KYHNHXLWOMFLHG-UHFFFAOYSA-N 0 3 248.208 0.888 20 0 BCADHN OCCCN1CCC[C@H]1CNc1nncs1 ZINC000450591983 411687349 /nfs/dbraw/zinc/68/73/49/411687349.db2.gz GWOFIOARWAPDQR-VIFPVBQESA-N 0 3 242.348 0.797 20 0 BCADHN COC[C@H](C)CN1CC[C@@H](F)[C@H](N)C1 ZINC000663505222 411688188 /nfs/dbraw/zinc/68/81/88/411688188.db2.gz JIRVCYLEAWRDOQ-OPRDCNLKSA-N 0 3 204.289 0.640 20 0 BCADHN Cc1ccc(NC[C@H]2CSCCN2)nn1 ZINC000641686910 411692708 /nfs/dbraw/zinc/69/27/08/411692708.db2.gz DEMWAXWLSRSXRA-VIFPVBQESA-N 0 3 224.333 0.902 20 0 BCADHN C[C@H]1CN(CCN(CCO)C2CC2)C[C@H](C)O1 ZINC000314454484 411693526 /nfs/dbraw/zinc/69/35/26/411693526.db2.gz ZDOUMZKYUMCEIE-RYUDHWBXSA-N 0 3 242.363 0.552 20 0 BCADHN c1csc(CN2CCOC3(CNC3)C2)c1 ZINC000663512654 411693591 /nfs/dbraw/zinc/69/35/91/411693591.db2.gz KDDXBDKOYPQWOU-UHFFFAOYSA-N 0 3 224.329 0.922 20 0 BCADHN c1nc(CN2CCOC3(CNC3)C2)cs1 ZINC000663513947 411694268 /nfs/dbraw/zinc/69/42/68/411694268.db2.gz RQZFNZQBBZXAOH-UHFFFAOYSA-N 0 3 225.317 0.317 20 0 BCADHN c1cc(CN2CCOC3(CNC3)C2)cs1 ZINC000663512588 411694367 /nfs/dbraw/zinc/69/43/67/411694367.db2.gz JASMZZTXAKWXRL-UHFFFAOYSA-N 0 3 224.329 0.922 20 0 BCADHN c1cc(CN2CCOC3(CNC3)C2)ccn1 ZINC000663512947 411694431 /nfs/dbraw/zinc/69/44/31/411694431.db2.gz LDFAFJNWRPRCIF-UHFFFAOYSA-N 0 3 219.288 0.256 20 0 BCADHN c1cncc(CN2CCOC3(CNC3)C2)c1 ZINC000663514734 411695361 /nfs/dbraw/zinc/69/53/61/411695361.db2.gz ZFFCRCBUMKHBMA-UHFFFAOYSA-N 0 3 219.288 0.256 20 0 BCADHN Cn1ncnc1N1CC[C@H](N2CCCC2)C1 ZINC000663528303 411698624 /nfs/dbraw/zinc/69/86/24/411698624.db2.gz GSLKLXFDSQPLRE-JTQLQIEISA-N 0 3 221.308 0.490 20 0 BCADHN CCNC(=O)CCN(C)Cc1cnc[nH]1 ZINC000661086845 411700011 /nfs/dbraw/zinc/70/00/11/411700011.db2.gz JUGUZPCBDPTYJZ-UHFFFAOYSA-N 0 3 210.281 0.368 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000390421600 411729414 /nfs/dbraw/zinc/72/94/14/411729414.db2.gz JZMZWSGJZWKWPI-SSDOTTSWSA-N 0 3 208.265 0.963 20 0 BCADHN CCOc1cc(N2CC(N(C)C)C2)nc(C)n1 ZINC000663754773 411739147 /nfs/dbraw/zinc/73/91/47/411739147.db2.gz JLAJJCPEZWJIED-UHFFFAOYSA-N 0 3 236.319 0.934 20 0 BCADHN CN(C)C1CN(c2cc(CO)c(F)cn2)C1 ZINC000663757389 411740586 /nfs/dbraw/zinc/74/05/86/411740586.db2.gz XZMISUZLFKJEIC-UHFFFAOYSA-N 0 3 225.267 0.463 20 0 BCADHN Cc1ccc(NC[C@]2(O)CCN(C)C2)nn1 ZINC000663804102 411750049 /nfs/dbraw/zinc/75/00/49/411750049.db2.gz XDIARIKASQVZED-LLVKDONJSA-N 0 3 222.292 0.264 20 0 BCADHN CCS(=O)(=O)C(C)C(=O)NCC(C)C ZINC000058611269 170622894 /nfs/dbraw/zinc/62/28/94/170622894.db2.gz HWYBLYXFGHZZAH-MRVPVSSYSA-N 0 3 221.322 0.582 20 0 BCADHN CCc1cc(NC[C@@H]2CSCCN2)ncn1 ZINC000641687199 411768027 /nfs/dbraw/zinc/76/80/27/411768027.db2.gz JVOGDJZRIHJZLR-SNVBAGLBSA-N 0 3 238.360 1.156 20 0 BCADHN CN(C)C[C@@H](CO)Nc1ncnc2[nH]ccc21 ZINC000663910820 411771425 /nfs/dbraw/zinc/77/14/25/411771425.db2.gz OWZKDXWEDOYBSA-QMMMGPOBSA-N 0 3 235.291 0.292 20 0 BCADHN Cc1cnc(N[C@H](CO)CN(C)C)nc1 ZINC000663911026 411773275 /nfs/dbraw/zinc/77/32/75/411773275.db2.gz VLVCVGJOOOHBLI-VIFPVBQESA-N 0 3 210.281 0.119 20 0 BCADHN COC[C@@H](O)CN1CC2(CCC2)OC[C@H]1C ZINC000661462997 411780148 /nfs/dbraw/zinc/78/01/48/411780148.db2.gz LZQDPAVCKUOTTK-MNOVXSKESA-N 0 3 229.320 0.637 20 0 BCADHN Cc1nccnc1NCCN1CC[C@H](O)C1 ZINC000624776993 411787631 /nfs/dbraw/zinc/78/76/31/411787631.db2.gz OTQXVOWZAYBUJZ-JTQLQIEISA-N 0 3 222.292 0.264 20 0 BCADHN CCn1ccnc(N2CC(CN(C)C)C2)c1=O ZINC000663950285 411788382 /nfs/dbraw/zinc/78/83/82/411788382.db2.gz IQLPSRXZMAETLF-UHFFFAOYSA-N 0 3 236.319 0.261 20 0 BCADHN CC[C@@H](C(=O)N(C)Cc1ccnn1C)N(C)C ZINC000352542618 170660828 /nfs/dbraw/zinc/66/08/28/170660828.db2.gz RCKAVWLQFPXBIH-NSHDSACASA-N 0 3 238.335 0.719 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000072782072 411721506 /nfs/dbraw/zinc/72/15/06/411721506.db2.gz VCFNXZINDCPQPI-VXGBXAGGSA-N 0 3 239.363 0.396 20 0 BCADHN OC[C@H](NC[C@H](O)C(F)(F)F)C1CCC1 ZINC000661156870 411722304 /nfs/dbraw/zinc/72/23/04/411722304.db2.gz YZUCLVAJPNMZCZ-YUMQZZPRSA-N 0 3 227.226 0.660 20 0 BCADHN CC[C@@H](C(=O)NCc1nccn1C)N(C)C ZINC000359214857 170665515 /nfs/dbraw/zinc/66/55/15/170665515.db2.gz HNIWQOMETWXKLN-VIFPVBQESA-N 0 3 224.308 0.377 20 0 BCADHN CC[C@@H](N)C(=O)Nc1n[nH]c2cc(OC)ccc21 ZINC000567911226 411727709 /nfs/dbraw/zinc/72/77/09/411727709.db2.gz QQOYDFRIRQMXHC-SECBINFHSA-N 0 3 248.286 1.247 20 0 BCADHN COCCCN1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639822147 411864415 /nfs/dbraw/zinc/86/44/15/411864415.db2.gz LPLUZWJVFAJYMX-SECBINFHSA-N 0 3 240.307 0.868 20 0 BCADHN CC[C@@H](C(N)=O)N(CC)C[C@H](C)OC ZINC000361574706 170674025 /nfs/dbraw/zinc/67/40/25/170674025.db2.gz ZYIUDGNGXOEABY-IUCAKERBSA-N 0 3 202.298 0.607 20 0 BCADHN Cc1ccc(N2C[C@H]3CCN(C)[C@H]3C2)nn1 ZINC000663972046 411796846 /nfs/dbraw/zinc/79/68/46/411796846.db2.gz FGVNTUXPTMGLFK-MNOVXSKESA-N 0 3 218.304 0.925 20 0 BCADHN Cc1nnc(N[C@H]2CCN(C)[C@H](C)C2)o1 ZINC000380262990 411799503 /nfs/dbraw/zinc/79/95/03/411799503.db2.gz SIRIHOCXJNDYHK-APPZFPTMSA-N 0 3 210.281 1.273 20 0 BCADHN C[C@@H]1CC[C@H](CNC2(C(N)=O)CCOCC2)O1 ZINC000661595567 411810480 /nfs/dbraw/zinc/81/04/80/411810480.db2.gz SDYFRUZIWCZKDS-NXEZZACHSA-N 0 3 242.319 0.178 20 0 BCADHN NC(=O)C1(NC[C@@H]2CCCCO2)CCOCC1 ZINC000661594066 411810918 /nfs/dbraw/zinc/81/09/18/411810918.db2.gz GTAFHQDTFTYKFF-JTQLQIEISA-N 0 3 242.319 0.180 20 0 BCADHN CN(C[C@H]1COCCO1)CC1(O)CCC1 ZINC000661606431 411813697 /nfs/dbraw/zinc/81/36/97/411813697.db2.gz TYNFFJNZCIGREK-JTQLQIEISA-N 0 3 215.293 0.249 20 0 BCADHN CN(CCOC1CCC1)C[C@H]1COCCO1 ZINC000661613106 411816077 /nfs/dbraw/zinc/81/60/77/411816077.db2.gz GHYWNFGSLQMWPR-LBPRGKRZSA-N 0 3 229.320 0.903 20 0 BCADHN CCOCC[C@H](O)CN(C)C[C@@H]1COCCO1 ZINC000661611393 411816365 /nfs/dbraw/zinc/81/63/65/411816365.db2.gz KBTJMIYNEMYZOJ-NWDGAFQWSA-N 0 3 247.335 0.121 20 0 BCADHN CN(CCc1ccnn1C)C[C@@H]1COCCO1 ZINC000661613587 411816480 /nfs/dbraw/zinc/81/64/80/411816480.db2.gz ZCHKGRAOAQIHGF-GFCCVEGCSA-N 0 3 239.319 0.310 20 0 BCADHN C[C@@H](O)CCN(C)C[C@@H]1COCCO1 ZINC000661610140 411816624 /nfs/dbraw/zinc/81/66/24/411816624.db2.gz DUOJJOPOEDEXKQ-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN CO[C@H](CN(C)C[C@@H]1COCCO1)C1CC1 ZINC000661614343 411818716 /nfs/dbraw/zinc/81/87/16/411818716.db2.gz PHFIDXSBMZVYCT-VXGBXAGGSA-N 0 3 229.320 0.759 20 0 BCADHN CCn1nc(NC(=O)CNC2CC2)cc1C1CC1 ZINC000563880708 411820240 /nfs/dbraw/zinc/82/02/40/411820240.db2.gz VOJHTLIOZMQGDF-UHFFFAOYSA-N 0 3 248.330 1.471 20 0 BCADHN CCN(CC)C(=O)CN1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661627229 411821422 /nfs/dbraw/zinc/82/14/22/411821422.db2.gz OMCOTYZYKQQSHY-PJXYFTJBSA-N 0 3 242.363 0.804 20 0 BCADHN C[C@@H]1CN(Cc2cncn2C)C[C@@H](C)C1O ZINC000661631337 411826207 /nfs/dbraw/zinc/82/62/07/411826207.db2.gz OOYZVKDZICKNGJ-NXEZZACHSA-N 0 3 223.320 0.869 20 0 BCADHN Cn1[nH]cnc1=N[C@@H]1CCCN2CCCC[C@H]12 ZINC000664080763 411843548 /nfs/dbraw/zinc/84/35/48/411843548.db2.gz ZJGXCZKQKHVKDU-GHMZBOCLSA-N 0 3 235.335 0.666 20 0 BCADHN CN(C)C(=O)CN1C[C@H]2COC[C@]2(C)C1 ZINC000661697889 411845084 /nfs/dbraw/zinc/84/50/84/411845084.db2.gz QNRDEDWMOMYKLT-ONGXEEELSA-N 0 3 212.293 0.043 20 0 BCADHN CC(C)NC(=O)CN1C[C@H]2COC[C@@]2(C)C1 ZINC000661697683 411845906 /nfs/dbraw/zinc/84/59/06/411845906.db2.gz PLMDJDGKCVRXGQ-CMPLNLGQSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@]12COC[C@H]1CN(CC(=O)NC1CC1)C2 ZINC000661700695 411846091 /nfs/dbraw/zinc/84/60/91/411846091.db2.gz YDYSOFZTJFVFKV-SKDRFNHKSA-N 0 3 224.304 0.233 20 0 BCADHN CCNC(=O)CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000661699450 411846247 /nfs/dbraw/zinc/84/62/47/411846247.db2.gz VNFNUSPVKKNLJX-MWLCHTKSSA-N 0 3 212.293 0.091 20 0 BCADHN C[C@@]12COC[C@@H]1CN(CC(=O)N1CCC1)C2 ZINC000661703506 411847592 /nfs/dbraw/zinc/84/75/92/411847592.db2.gz UGMNJRMVOIUHBH-CMPLNLGQSA-N 0 3 224.304 0.187 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@H]2COC[C@@]2(C)C1 ZINC000661703485 411847761 /nfs/dbraw/zinc/84/77/61/411847761.db2.gz UEULPHDHQNXEJH-GBIKHYSHSA-N 0 3 238.331 0.622 20 0 BCADHN CCN(CC)C(=O)CN1C[C@H]2COC[C@@]2(C)C1 ZINC000661701346 411847941 /nfs/dbraw/zinc/84/79/41/411847941.db2.gz ZPSRDRQUJMHJKJ-WCQYABFASA-N 0 3 240.347 0.823 20 0 BCADHN CC(C)OC[C@H](O)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000661713937 411854142 /nfs/dbraw/zinc/85/41/42/411854142.db2.gz WOZLQFYZENKMMX-QJPTWQEYSA-N 0 3 229.320 0.229 20 0 BCADHN CCN(Cc1ccnc(N)c1)C[C@H](C)O ZINC000336694812 411857651 /nfs/dbraw/zinc/85/76/51/411857651.db2.gz NNXVGMZQDOZPKL-VIFPVBQESA-N 0 3 209.293 0.867 20 0 BCADHN O[C@]12C[C@H]1CN(CCn1ccnc1)CC2 ZINC000661720685 411857952 /nfs/dbraw/zinc/85/79/52/411857952.db2.gz DCFXOGVCCUHLFG-WDEREUQCSA-N 0 3 207.277 0.340 20 0 BCADHN Cn1cncc1CCCN1CC[C@@]2(O)C[C@H]2C1 ZINC000661722002 411858134 /nfs/dbraw/zinc/85/81/34/411858134.db2.gz VMGYETZECOANBC-WCQYABFASA-N 0 3 235.331 0.809 20 0 BCADHN CCN1CCCN([C@@H](C)c2nccc(N)n2)CC1 ZINC000566569065 411858891 /nfs/dbraw/zinc/85/88/91/411858891.db2.gz HASIAZSIOKQABJ-NSHDSACASA-N 0 3 249.362 1.147 20 0 BCADHN CCN1C[C@H](C)N(Cc2nccc(N)n2)C[C@@H]1C ZINC000346173763 411859825 /nfs/dbraw/zinc/85/98/25/411859825.db2.gz UMSSSHZMTBAWPZ-QWRGUYRKSA-N 0 3 249.362 0.973 20 0 BCADHN CCN1C[C@H](C)N(Cc2nccc(N)n2)C[C@H]1C ZINC000346173756 411860668 /nfs/dbraw/zinc/86/06/68/411860668.db2.gz UMSSSHZMTBAWPZ-MNOVXSKESA-N 0 3 249.362 0.973 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1ccc(N)nc1 ZINC000637828662 411861211 /nfs/dbraw/zinc/86/12/11/411861211.db2.gz UDDZRDTZVUAWPH-ZETCQYMHSA-N 0 3 208.265 0.600 20 0 BCADHN COCCN1CCC(c2nnc(N)o2)CC1 ZINC000639740967 411862374 /nfs/dbraw/zinc/86/23/74/411862374.db2.gz YHTTWRZSGHINQY-UHFFFAOYSA-N 0 3 226.280 0.478 20 0 BCADHN Cn1cc(C[C@H]2CCC[C@H]2NCC(N)=O)cn1 ZINC000661783997 411884790 /nfs/dbraw/zinc/88/47/90/411884790.db2.gz HNXZOQMUFBSHGL-GHMZBOCLSA-N 0 3 236.319 0.206 20 0 BCADHN CCC[C@H](O)CN1CCC(=O)N(C)CC1 ZINC000661805457 411886936 /nfs/dbraw/zinc/88/69/36/411886936.db2.gz KCSIPMNIWJWRKA-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN C[C@H]1C[C@H](NC(=O)N[C@H]2C[C@H](O)C2)CCN1C ZINC000664220787 411888966 /nfs/dbraw/zinc/88/89/66/411888966.db2.gz YGDDJRNDJOOMLW-VLEAKVRGSA-N 0 3 241.335 0.292 20 0 BCADHN C[C@@H](O)CCCN1CCC(=O)N(C)CC1 ZINC000661805942 411888998 /nfs/dbraw/zinc/88/89/98/411888998.db2.gz VDGKWTPJSAIJAI-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N[C@H]2C[C@H](O)C2)CCN1C ZINC000664220779 411889549 /nfs/dbraw/zinc/88/95/49/411889549.db2.gz YGDDJRNDJOOMLW-GWOFURMSSA-N 0 3 241.335 0.292 20 0 BCADHN CC(C)NC(=O)CCN1CCC(=O)N(C)CC1 ZINC000661809604 411889608 /nfs/dbraw/zinc/88/96/08/411889608.db2.gz BHJPFNABSQPHRQ-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCC[C@@H]1O ZINC000132269041 411890558 /nfs/dbraw/zinc/89/05/58/411890558.db2.gz XJKHWAMNEDNQEY-GUBZILKMSA-N 0 3 235.349 0.313 20 0 BCADHN C[C@H](CN[C@H]1C[C@@H](O)C12CCC2)S(C)(=O)=O ZINC000661827898 411894095 /nfs/dbraw/zinc/89/40/95/411894095.db2.gz PEDCNEGMCGSXPP-KXUCPTDWSA-N 0 3 247.360 0.313 20 0 BCADHN O=c1ccccn1CCN[C@H]1C[C@H](O)C12CCC2 ZINC000661832246 411896112 /nfs/dbraw/zinc/89/61/12/411896112.db2.gz ZMVSSQWICXONBV-RYUDHWBXSA-N 0 3 248.326 0.741 20 0 BCADHN Nc1cccnc1C(=O)NCCN1CCCC1 ZINC000132331140 411897157 /nfs/dbraw/zinc/89/71/57/411897157.db2.gz SVFQCFPCACYRBP-UHFFFAOYSA-N 0 3 234.303 0.489 20 0 BCADHN O=C(CN[C@H]1C[C@H](O)C12CCC2)N1CCC1 ZINC000661835001 411897610 /nfs/dbraw/zinc/89/76/10/411897610.db2.gz HZCXSBFZTITNGM-UWVGGRQHSA-N 0 3 224.304 0.112 20 0 BCADHN CN1CC[C@H](N[C@@H]2C[C@@H](O)C23CCC3)C1=O ZINC000661834419 411897947 /nfs/dbraw/zinc/89/79/47/411897947.db2.gz GVSSWVJCAALXOI-IVZWLZJFSA-N 0 3 224.304 0.110 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccnc(N)c1 ZINC000330576213 411898182 /nfs/dbraw/zinc/89/81/82/411898182.db2.gz OXQMFALQYFOZEH-GHMZBOCLSA-N 0 3 248.330 0.668 20 0 BCADHN CO[C@H](C)CN1CCC[C@H](c2nnc(N)o2)C1 ZINC000639820631 411898392 /nfs/dbraw/zinc/89/83/92/411898392.db2.gz DCCKYONHVNLBGQ-BDAKNGLRSA-N 0 3 240.307 0.866 20 0 BCADHN CCCCNC(=O)CN[C@H]1C[C@@H](O)C12CCC2 ZINC000661836187 411899043 /nfs/dbraw/zinc/89/90/43/411899043.db2.gz FOPGOJUUNMSTHK-WDEREUQCSA-N 0 3 240.347 0.796 20 0 BCADHN CCCCNC(=O)CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000661836184 411899118 /nfs/dbraw/zinc/89/91/18/411899118.db2.gz FOPGOJUUNMSTHK-GHMZBOCLSA-N 0 3 240.347 0.796 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@H]1C[C@@H](O)C12CCC2 ZINC000661841447 411899311 /nfs/dbraw/zinc/89/93/11/411899311.db2.gz TUPRPEGKIHBPNB-GARJFASQSA-N 0 3 240.347 0.794 20 0 BCADHN CCNC(=O)CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000661842035 411899428 /nfs/dbraw/zinc/89/94/28/411899428.db2.gz ULIJNLNLQYBCMB-RKDXNWHRSA-N 0 3 212.293 0.016 20 0 BCADHN CCCCNC(=O)CN[C@@H]1C[C@H](O)C12CCC2 ZINC000661836185 411899789 /nfs/dbraw/zinc/89/97/89/411899789.db2.gz FOPGOJUUNMSTHK-MNOVXSKESA-N 0 3 240.347 0.796 20 0 BCADHN CCN(CC)C(=O)CN[C@H]1C[C@H](O)C12CCC2 ZINC000661843515 411899818 /nfs/dbraw/zinc/89/98/18/411899818.db2.gz YGQNWMQJEJXEPC-QWRGUYRKSA-N 0 3 240.347 0.748 20 0 BCADHN Cn1ncnc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000664254503 411900035 /nfs/dbraw/zinc/90/00/35/411900035.db2.gz FJBXEWJTLYIVQU-JTQLQIEISA-N 0 3 249.318 0.029 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ncnn1C ZINC000664260932 411902366 /nfs/dbraw/zinc/90/23/66/411902366.db2.gz 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222.292 0.990 20 0 BCADHN CCCCOCCN1CCC(CO)(CO)C1 ZINC000661943825 411916128 /nfs/dbraw/zinc/91/61/28/411916128.db2.gz MXZLULIDEHOHBP-UHFFFAOYSA-N 0 3 231.336 0.480 20 0 BCADHN CCCN1CC[C@H](NC(=O)N[C@@H](CC)CO)C1 ZINC000661949059 411918457 /nfs/dbraw/zinc/91/84/57/411918457.db2.gz QQSIUALRVFTNPE-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN CC1(C)C[C@H](N2CCC(CO)(CO)C2)CO1 ZINC000661953794 411918802 /nfs/dbraw/zinc/91/88/02/411918802.db2.gz SCTSWRGBFCSOOP-JTQLQIEISA-N 0 3 229.320 0.231 20 0 BCADHN C[C@H](NC(=O)[C@H]1CCCCN1)c1nccc(N)n1 ZINC000638858308 411921252 /nfs/dbraw/zinc/92/12/52/411921252.db2.gz NGSACEPHXQCJHP-DTWKUNHWSA-N 0 3 249.318 0.378 20 0 BCADHN Cc1noc2ncnc(N(C)CC3CN(C)C3)c12 ZINC000664330597 411922502 /nfs/dbraw/zinc/92/25/02/411922502.db2.gz MOAWFQPREBWXAC-UHFFFAOYSA-N 0 3 247.302 0.924 20 0 BCADHN C[C@H](O)CN1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000366988923 411922639 /nfs/dbraw/zinc/92/26/39/411922639.db2.gz NBUONZFNBBBHCX-VHSXEESVSA-N 0 3 236.319 0.619 20 0 BCADHN 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CC[C@H](C(=O)N[C@@H](C)[C@H](C)CO)N(C)C ZINC000245635518 171232110 /nfs/dbraw/zinc/23/21/10/171232110.db2.gz GIJIGMAHJYJIJU-KXUCPTDWSA-N 0 3 216.325 0.460 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)CCCO)N(C)C ZINC000305115926 171232384 /nfs/dbraw/zinc/23/23/84/171232384.db2.gz HYBJVGGXKOYGDA-VHSXEESVSA-N 0 3 216.325 0.604 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCSC1)N(C)C ZINC000338965029 171232657 /nfs/dbraw/zinc/23/26/57/171232657.db2.gz FRBYXRROYYVDTA-RKDXNWHRSA-N 0 3 216.350 0.948 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)CC(N)=O)N(CC)CC ZINC000361035958 171232960 /nfs/dbraw/zinc/23/29/60/171232960.db2.gz DWQJFODQZMJDQK-NXEZZACHSA-N 0 3 243.351 0.487 20 0 BCADHN CC[C@H](C(=O)N[C@H]1C[C@@](C)(O)C1)N(C)C ZINC000332076708 171233127 /nfs/dbraw/zinc/23/31/27/171233127.db2.gz YXGOCMQCEQGPQG-KKZNHRDASA-N 0 3 214.309 0.356 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)CCO)N(CC)CC ZINC000340009728 171233227 /nfs/dbraw/zinc/23/32/27/171233227.db2.gz MEYWNRYIAPGJLC-GHMZBOCLSA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCCC[C@@H]1CO)N(C)C ZINC000331359031 171233495 /nfs/dbraw/zinc/23/34/95/171233495.db2.gz VYIJUVATQDFEIH-GRYCIOLGSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)N[C@H]1C=C[C@H](CO)C1)N(C)C ZINC000338967066 171233786 /nfs/dbraw/zinc/23/37/86/171233786.db2.gz PNMLSRANQDIBMH-GARJFASQSA-N 0 3 226.320 0.380 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCN(C2CC2)C1)[C@H](C)O ZINC000357576672 171233796 /nfs/dbraw/zinc/23/37/96/171233796.db2.gz CIHRQKIQLVXOCQ-NHCYSSNCSA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCN(C2CC2)C1)[C@@H](C)O ZINC000357576673 171234036 /nfs/dbraw/zinc/23/40/36/171234036.db2.gz CIHRQKIQLVXOCQ-SCVCMEIPSA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@H](C(=O)OC)N(C)CCN1CCCC1 ZINC000340836161 171240483 /nfs/dbraw/zinc/24/04/83/171240483.db2.gz CSRPJOHKHZARIW-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC[C@H](C(N)=O)N1CCCOC(C)(C)C1 ZINC000308973549 171243041 /nfs/dbraw/zinc/24/30/41/171243041.db2.gz FXMMZZGUJROHGB-SECBINFHSA-N 0 3 214.309 0.751 20 0 BCADHN 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ZINC000339354469 171274012 /nfs/dbraw/zinc/27/40/12/171274012.db2.gz GZIBXNRFVVWHDH-DTWKUNHWSA-N 0 3 202.298 0.465 20 0 BCADHN CC[C@H](C)CS(=O)(=O)N[C@@H]1CCCNC1 ZINC000237118181 171291879 /nfs/dbraw/zinc/29/18/79/171291879.db2.gz MBNJAUWAECEUEC-VHSXEESVSA-N 0 3 234.365 0.704 20 0 BCADHN CC[C@H](C)N(C)CC(=O)N1CCNC1=O ZINC000104687719 171305054 /nfs/dbraw/zinc/30/50/54/171305054.db2.gz LIIBZKOXGKXQGK-QMMMGPOBSA-N 0 3 213.281 0.269 20 0 BCADHN CC[C@H](C)N(CCO)CC(=O)NC1CC1 ZINC000308801395 171313100 /nfs/dbraw/zinc/31/31/00/171313100.db2.gz KXCVXJPBCIHIFQ-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN CC[C@H](C)N(CCO)CC(=O)NCC1CC1 ZINC000309290163 171314491 /nfs/dbraw/zinc/31/44/91/171314491.db2.gz JOXDAVFIDNNRLB-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@@H](C)[C@H]1CO ZINC000248998404 171325621 /nfs/dbraw/zinc/32/56/21/171325621.db2.gz YIGROOSFTHYTLJ-OUAUKWLOSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C)NC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000341454358 171330570 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/nfs/dbraw/zinc/09/73/70/412097370.db2.gz ONKASFWPFMVWFM-UHFFFAOYSA-N 0 3 237.303 0.772 20 0 BCADHN C[C@@H](CC(=O)NCCN(C)C)[C@H]1CCCO1 ZINC000665112313 412099250 /nfs/dbraw/zinc/09/92/50/412099250.db2.gz TZTXBBQHZCKLPI-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN CO[C@@H](C(=O)NCCN(C)C)C1CCC1 ZINC000665111318 412099811 /nfs/dbraw/zinc/09/98/11/412099811.db2.gz YXKBZLAESHCFCD-SNVBAGLBSA-N 0 3 214.309 0.479 20 0 BCADHN CC(C)(C)NC(=O)CN1CC[C@@H](F)[C@H](N)C1 ZINC000662323266 412100653 /nfs/dbraw/zinc/10/06/53/412100653.db2.gz XXHDPRUZIAKECT-RKDXNWHRSA-N 0 3 231.315 0.272 20 0 BCADHN COCC[C@@H](C)N1CC[C@@H](F)[C@H](N)C1 ZINC000662326398 412102736 /nfs/dbraw/zinc/10/27/36/412102736.db2.gz YUOFWRMIRXSZOJ-OPRDCNLKSA-N 0 3 204.289 0.783 20 0 BCADHN CC[C@@H](C(N)=O)N(C)[C@@H](CN)C(F)(F)F ZINC000662333061 412106038 /nfs/dbraw/zinc/10/60/38/412106038.db2.gz SUXLANPKQCTMON-WDSKDSINSA-N 0 3 227.230 0.072 20 0 BCADHN CN(CCS(=O)(=O)N(C)C)C[C@@H]1CC1(C)C ZINC000662344548 412113495 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XMUJRGZQYTZNGB-RKDXNWHRSA-N 0 3 243.351 0.404 20 0 BCADHN COCCNCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000662551408 412213638 /nfs/dbraw/zinc/21/36/38/412213638.db2.gz QJHFVJKBKLOGCX-URLYPYJESA-N 0 3 226.320 0.385 20 0 BCADHN CCc1cc(NC(=O)[C@H](CC)NC)n[nH]1 ZINC000662412233 412155301 /nfs/dbraw/zinc/15/53/01/412155301.db2.gz KDSBRGYDXGJOQX-QMMMGPOBSA-N 0 3 210.281 0.909 20 0 BCADHN Cc1cc(CC(=O)N2CCNCC2(C)C)on1 ZINC000662423471 412162742 /nfs/dbraw/zinc/16/27/42/412162742.db2.gz JDHWXRPCILPZFX-UHFFFAOYSA-N 0 3 237.303 0.736 20 0 BCADHN COCCNC(=O)C1(NC2CC2)CCC1 ZINC000662428504 412166552 /nfs/dbraw/zinc/16/65/52/412166552.db2.gz CLHLHLFLCGTKBV-UHFFFAOYSA-N 0 3 212.293 0.424 20 0 BCADHN COCCNCCNC(=O)c1ccc(F)s1 ZINC000662551688 412214139 /nfs/dbraw/zinc/21/41/39/412214139.db2.gz SPGFAEJJFHMNOR-UHFFFAOYSA-N 0 3 246.307 0.853 20 0 BCADHN CC[C@H](O)CC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000331740815 171554924 /nfs/dbraw/zinc/55/49/24/171554924.db2.gz AKMSKBHMWHPFFF-SCVCMEIPSA-N 0 3 240.347 0.889 20 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CC[C@@H](N)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000662667766 412265836 /nfs/dbraw/zinc/26/58/36/412265836.db2.gz YCRDYQPTIJLBND-LPEHRKFASA-N 0 3 214.309 0.798 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000662667754 412266103 /nfs/dbraw/zinc/26/61/03/412266103.db2.gz YCRDYQPTIJLBND-AEJSXWLSSA-N 0 3 214.309 0.798 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1Nc1cccnn1 ZINC000390442079 412266510 /nfs/dbraw/zinc/26/65/10/412266510.db2.gz VUJONSGXWUQJQI-GXSJLCMTSA-N 0 3 218.304 1.371 20 0 BCADHN CC[C@H](OC)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000356558662 171583251 /nfs/dbraw/zinc/58/32/51/171583251.db2.gz VOTHVLHAQUIOSC-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)Cc1cn(C)nn1 ZINC000662689930 412272134 /nfs/dbraw/zinc/27/21/34/412272134.db2.gz WALGDMQQYWRAJB-NSHDSACASA-N 0 3 239.323 0.291 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000662690219 412272219 /nfs/dbraw/zinc/27/22/19/412272219.db2.gz LAXCYHRMYACICX-GMXVVIOVSA-N 0 3 240.347 0.855 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000662692344 412273474 /nfs/dbraw/zinc/27/34/74/412273474.db2.gz WGVKSMRISKGFLN-UMNHJUIQSA-N 0 3 226.320 0.465 20 0 BCADHN N#Cc1ccc(N[C@@H]2CCN(C3CC3)C2)nn1 ZINC000396936756 412274019 /nfs/dbraw/zinc/27/40/19/412274019.db2.gz FCIBZSJCLABGNE-SNVBAGLBSA-N 0 3 229.287 0.997 20 0 BCADHN N#Cc1ccc(N[C@H]2CCN(C3CC3)C2)nn1 ZINC000396936754 412274365 /nfs/dbraw/zinc/27/43/65/412274365.db2.gz FCIBZSJCLABGNE-JTQLQIEISA-N 0 3 229.287 0.997 20 0 BCADHN N#Cc1cnnc(N[C@@H]2CCN(C3CC3)C2)c1 ZINC000396948963 412278348 /nfs/dbraw/zinc/27/83/48/412278348.db2.gz ZSPQWEZPIJPLPF-SNVBAGLBSA-N 0 3 229.287 0.997 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662710391 412278510 /nfs/dbraw/zinc/27/85/10/412278510.db2.gz IETUGABTOLUWGA-LPEHRKFASA-N 0 3 212.293 0.089 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662709726 412278598 /nfs/dbraw/zinc/27/85/98/412278598.db2.gz DWIAJVHHTZEECD-GUBZILKMSA-N 0 3 212.293 0.219 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000662711598 412279400 /nfs/dbraw/zinc/27/94/00/412279400.db2.gz NHLBNCPVIBMMTI-UTUOFQBUSA-N 0 3 240.347 0.855 20 0 BCADHN N#Cc1cnnc(N[C@H]2CCN(C3CC3)C2)c1 ZINC000396948961 412279603 /nfs/dbraw/zinc/27/96/03/412279603.db2.gz ZSPQWEZPIJPLPF-JTQLQIEISA-N 0 3 229.287 0.997 20 0 BCADHN N[C@H](C(=O)N1CC[C@H]2COC[C@H]2C1)C1CCC1 ZINC000662711076 412279829 /nfs/dbraw/zinc/27/98/29/412279829.db2.gz LSFIIGHDXKJSOB-TUAOUCFPSA-N 0 3 238.331 0.609 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCc2nccnc2C1 ZINC000662735565 412289349 /nfs/dbraw/zinc/28/93/49/412289349.db2.gz WEHBBBQSIKJVRF-CYBMUJFWSA-N 0 3 248.330 0.879 20 0 BCADHN C[C@@H](N)C(=O)N1CCOc2ccc(O)cc2C1 ZINC000662731665 412286635 /nfs/dbraw/zinc/28/66/35/412286635.db2.gz IBOWGWPFAOVHNK-MRVPVSSYSA-N 0 3 236.271 0.460 20 0 BCADHN CCn1cnc(C(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000662566543 412221352 /nfs/dbraw/zinc/22/13/52/412221352.db2.gz WLGSCKSFKJAPHB-IUCAKERBSA-N 0 3 240.282 0.333 20 0 BCADHN CN(Cc1cnc[nH]1)C(=O)CC(F)(F)CN ZINC000662585559 412230558 /nfs/dbraw/zinc/23/05/58/412230558.db2.gz KADZWNLGHKCFCD-UHFFFAOYSA-N 0 3 232.234 0.352 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cccc(N)c1 ZINC000662612968 412242206 /nfs/dbraw/zinc/24/22/06/412242206.db2.gz DWWJJSWJXMNLFA-SNVBAGLBSA-N 0 3 207.277 0.622 20 0 BCADHN COC[C@H](CCNC(=O)[C@H](N)CC(C)C)OC ZINC000662617110 412242814 /nfs/dbraw/zinc/24/28/14/412242814.db2.gz LCPSJQCNFIHSBL-WDEREUQCSA-N 0 3 246.351 0.528 20 0 BCADHN COC[C@H](CCNC(=O)[C@H](N)C1CCC1)OC ZINC000662618430 412244417 /nfs/dbraw/zinc/24/44/17/412244417.db2.gz XJQKLTXVWDNLGU-WDEREUQCSA-N 0 3 244.335 0.282 20 0 BCADHN COC[C@H](CCNC(=O)[C@@H](N)C1CCC1)OC ZINC000662618429 412244860 /nfs/dbraw/zinc/24/48/60/412244860.db2.gz XJQKLTXVWDNLGU-QWRGUYRKSA-N 0 3 244.335 0.282 20 0 BCADHN CC[C@H]1CC[C@H](C)N1CCNS(C)(=O)=O ZINC000357531888 171646664 /nfs/dbraw/zinc/64/66/64/171646664.db2.gz RZHBZNSBYRPNFQ-UWVGGRQHSA-N 0 3 234.365 0.799 20 0 BCADHN CNc1cc2c(nn1)CCN(C[C@H]1CCOC1)C2 ZINC000591868579 412306033 /nfs/dbraw/zinc/30/60/33/412306033.db2.gz PRMYDKAYBYLZQS-SNVBAGLBSA-N 0 3 248.330 0.913 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2(NC3CC3)CCC2)CO1 ZINC000662825431 412313092 /nfs/dbraw/zinc/31/30/92/412313092.db2.gz UOKXUHGDBZWSPH-KOLCDFICSA-N 0 3 238.331 0.955 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@H](N)C(C)C)CC1 ZINC000662835278 412315535 /nfs/dbraw/zinc/31/55/35/412315535.db2.gz LVCAARYWXJGGAE-WDEREUQCSA-N 0 3 228.336 0.997 20 0 BCADHN NCC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000662836784 412316526 /nfs/dbraw/zinc/31/65/26/412316526.db2.gz DIAVDCPMSHNMSX-VHSXEESVSA-N 0 3 211.309 0.078 20 0 BCADHN NCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000662836783 412317474 /nfs/dbraw/zinc/31/74/74/412317474.db2.gz DIAVDCPMSHNMSX-UWVGGRQHSA-N 0 3 211.309 0.078 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)N(C)Cc2c[nH]cn2)C1 ZINC000662839738 412318337 /nfs/dbraw/zinc/31/83/37/412318337.db2.gz WMJXKQZXWUQIHZ-ONGXEEELSA-N 0 3 236.319 0.756 20 0 BCADHN NC1(C(=O)NCCOCCF)CCCC1 ZINC000663002652 412366605 /nfs/dbraw/zinc/36/66/05/412366605.db2.gz GJNFUSANTPGWJP-UHFFFAOYSA-N 0 3 218.272 0.360 20 0 BCADHN CCn1nccc1CNC(=O)[C@H]1CCCCN1 ZINC000663000749 412366621 /nfs/dbraw/zinc/36/66/21/412366621.db2.gz MCYTWALJUPCSNT-LLVKDONJSA-N 0 3 236.319 0.661 20 0 BCADHN CCn1nccc1CNC(=O)C1(N)CC1 ZINC000663001995 412366662 /nfs/dbraw/zinc/36/66/62/412366662.db2.gz ZZFBEGJJDLLALB-UHFFFAOYSA-N 0 3 208.265 0.011 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@H](CO)C1CCC1 ZINC000662848934 412320507 /nfs/dbraw/zinc/32/05/07/412320507.db2.gz HWEULQXHZUJJBD-WDEREUQCSA-N 0 3 228.336 0.637 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N[C@@H](CO)C1CCC1 ZINC000662848717 412321006 /nfs/dbraw/zinc/32/10/06/412321006.db2.gz FULNUWGLWZSEQJ-YUMQZZPRSA-N 0 3 236.262 0.246 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](COC)C1CCOCC1 ZINC000662850448 412321726 /nfs/dbraw/zinc/32/17/26/412321726.db2.gz OMUMKZWBUCWOKO-GHMZBOCLSA-N 0 3 244.335 0.282 20 0 BCADHN O=C(N[C@H](CO)C1CCC1)[C@@H]1CCCCN1 ZINC000662851331 412321916 /nfs/dbraw/zinc/32/19/16/412321916.db2.gz YWKDSHZPHAGGFM-WDEREUQCSA-N 0 3 226.320 0.406 20 0 BCADHN O=C(NCCCCO)[C@@H]1CNCCC1(F)F ZINC000662853908 412323830 /nfs/dbraw/zinc/32/38/30/412323830.db2.gz UCLSJNYOWLOPEC-QMMMGPOBSA-N 0 3 236.262 0.120 20 0 BCADHN C[C@H](N)C(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000663001429 412366814 /nfs/dbraw/zinc/36/68/14/412366814.db2.gz UQSUOIVYESFACV-MHYGZLNHSA-N 0 3 236.262 0.605 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC/C=C/CO ZINC000662856427 412325386 /nfs/dbraw/zinc/32/53/86/412325386.db2.gz TUKZHNHBJSZTDV-VJIGKBMESA-N 0 3 200.282 0.025 20 0 BCADHN N[C@H](CC(=O)NC/C=C\CO)c1ccccc1 ZINC000662856431 412325411 /nfs/dbraw/zinc/32/54/11/412325411.db2.gz TVUQDWBMIDDLJW-QMAVJUDZSA-N 0 3 234.299 0.741 20 0 BCADHN O=C(C[C@@H]1NCc2ccccc21)NC/C=C/CO ZINC000662858287 412326615 /nfs/dbraw/zinc/32/66/15/412326615.db2.gz GCGWWXOSGQMVLK-OOPCZODUSA-N 0 3 246.310 0.886 20 0 BCADHN O=C(C[C@H]1NCc2ccccc21)NC/C=C\CO ZINC000662858283 412327253 /nfs/dbraw/zinc/32/72/53/412327253.db2.gz GCGWWXOSGQMVLK-DHCBQETCSA-N 0 3 246.310 0.886 20 0 BCADHN CC[C@@H](N)C(=O)N1CCN(CC)C(=O)[C@@H]1CC ZINC000662871905 412327987 /nfs/dbraw/zinc/32/79/87/412327987.db2.gz USAYGEOACASGHS-ZJUUUORDSA-N 0 3 241.335 0.193 20 0 BCADHN O=C(NC/C=C\CO)[C@@H]1CNCc2ccccc21 ZINC000662859494 412328144 /nfs/dbraw/zinc/32/81/44/412328144.db2.gz NMFXPXREPCATBZ-DHCBQETCSA-N 0 3 246.310 0.538 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NC/C=C/CO)C1 ZINC000662859426 412328306 /nfs/dbraw/zinc/32/83/06/412328306.db2.gz MLSJIVOQANDJFM-HLKOZVMDSA-N 0 3 212.293 0.039 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000662862061 412328364 /nfs/dbraw/zinc/32/83/64/412328364.db2.gz YUTOLYBTKAAPJZ-UTLUCORTSA-N 0 3 214.309 0.526 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccnn1CC ZINC000663000625 412366975 /nfs/dbraw/zinc/36/69/75/412366975.db2.gz LHTRZMBEKRXDPO-VIFPVBQESA-N 0 3 210.281 0.257 20 0 BCADHN NC1(C(=O)NCCO[C@H]2CC2(F)F)CCCC1 ZINC000662861406 412328513 /nfs/dbraw/zinc/32/85/13/412328513.db2.gz DNOZOUNTKKTVBG-QMMMGPOBSA-N 0 3 248.273 0.798 20 0 BCADHN O=C(NC/C=C\CO)[C@H]1CNCc2ccccc21 ZINC000662859497 412328568 /nfs/dbraw/zinc/32/85/68/412328568.db2.gz NMFXPXREPCATBZ-SCOBNMCVSA-N 0 3 246.310 0.538 20 0 BCADHN CN(C[C@H]1COCCO1)C(=O)[C@@H](N)C(C)(C)C ZINC000662868754 412329494 /nfs/dbraw/zinc/32/94/94/412329494.db2.gz AZMLWQMWYJJWGJ-VHSXEESVSA-N 0 3 244.335 0.234 20 0 BCADHN CC[C@@H](N)C(=O)N1CCN(CC)C(=O)[C@H]1CC ZINC000662871902 412330924 /nfs/dbraw/zinc/33/09/24/412330924.db2.gz USAYGEOACASGHS-NXEZZACHSA-N 0 3 241.335 0.193 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000645742573 412331452 /nfs/dbraw/zinc/33/14/52/412331452.db2.gz XCBBKYWNGJRIIU-SNVBAGLBSA-N 0 3 234.303 1.224 20 0 BCADHN CCn1nccc1CNC(=O)[C@H](C)NC ZINC000663000549 412367167 /nfs/dbraw/zinc/36/71/67/412367167.db2.gz JCCSTXRTZBETJP-QMMMGPOBSA-N 0 3 210.281 0.127 20 0 BCADHN C[C@@]12COC[C@H]1CN(C(=O)[C@@H]1CCCCN1)C2 ZINC000662880360 412334625 /nfs/dbraw/zinc/33/46/25/412334625.db2.gz KGCUIZPRFZKBFZ-NTZNESFSSA-N 0 3 238.331 0.623 20 0 BCADHN NCC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000662890073 412337314 /nfs/dbraw/zinc/33/73/14/412337314.db2.gz OYJOBFYBJXAURL-MNOVXSKESA-N 0 3 226.320 0.753 20 0 BCADHN NCC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000662890071 412337697 /nfs/dbraw/zinc/33/76/97/412337697.db2.gz OYJOBFYBJXAURL-GHMZBOCLSA-N 0 3 226.320 0.753 20 0 BCADHN CC[C@@H](N)C(=O)N(C)c1ccc(OC)nc1 ZINC000662896788 412338364 /nfs/dbraw/zinc/33/83/64/412338364.db2.gz BLAOTTJKYGCUEN-SECBINFHSA-N 0 3 223.276 0.790 20 0 BCADHN CN1CCC(NC(=O)c2cnc3n2CCC3)CC1 ZINC000665509503 412339887 /nfs/dbraw/zinc/33/98/87/412339887.db2.gz LOMHGIXYVZDKBE-UHFFFAOYSA-N 0 3 248.330 0.653 20 0 BCADHN CCn1cnc(C(=O)NC2CCN(C)CC2)c1 ZINC000665509031 412340645 /nfs/dbraw/zinc/34/06/45/412340645.db2.gz UXMBQKSBZZJVFQ-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN CC[C@](C)(CO)NCc1ccnc(OC)n1 ZINC000295568660 171695347 /nfs/dbraw/zinc/69/53/47/171695347.db2.gz ZRBKHIOEWVNUHK-LLVKDONJSA-N 0 3 225.292 0.736 20 0 BCADHN O=C(C[C@@H]1CNCCO1)NC1CC2(CCC2)C1 ZINC000662907710 412342260 /nfs/dbraw/zinc/34/22/60/412342260.db2.gz VTHAYZUHUMNEAM-LLVKDONJSA-N 0 3 238.331 0.814 20 0 BCADHN NC1(C(=O)N2CCC(c3ccon3)CC2)CC1 ZINC000662918574 412345658 /nfs/dbraw/zinc/34/56/58/412345658.db2.gz FLVHHFGUHSNGLW-UHFFFAOYSA-N 0 3 235.287 0.872 20 0 BCADHN O=C(Nc1cc(-c2cccs2)[nH]n1)[C@H]1CCN1 ZINC000335379243 412348243 /nfs/dbraw/zinc/34/82/43/412348243.db2.gz LFSPJZWCRUUUBX-SSDOTTSWSA-N 0 3 248.311 1.439 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000665529747 412349072 /nfs/dbraw/zinc/34/90/72/412349072.db2.gz TTZOVDDWBXPXHZ-WYUUTHIRSA-N 0 3 238.331 0.479 20 0 BCADHN C[C@@H](NC(=O)CNC1CC1)c1nccn1C ZINC000662934529 412349630 /nfs/dbraw/zinc/34/96/30/412349630.db2.gz OGQTZWFWWQIASE-MRVPVSSYSA-N 0 3 222.292 0.349 20 0 BCADHN NCC(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000662934427 412349812 /nfs/dbraw/zinc/34/98/12/412349812.db2.gz UYIPYVWNABXOFR-ADEWGFFLSA-N 0 3 220.247 0.539 20 0 BCADHN CC1(C)CC(NC(=O)CCOC2CNC2)C1 ZINC000662946755 412351193 /nfs/dbraw/zinc/35/11/93/412351193.db2.gz BAUGHAWAHRFJLN-UHFFFAOYSA-N 0 3 226.320 0.670 20 0 BCADHN COC(=O)c1nccnc1NC[C@H](C)N(C)C ZINC000591896589 412351478 /nfs/dbraw/zinc/35/14/78/412351478.db2.gz QYUCRTBWFUQJOP-QMMMGPOBSA-N 0 3 238.291 0.625 20 0 BCADHN Cc1cc(CC(=O)N2CC[C@@H](F)[C@H](N)C2)[nH]n1 ZINC000662944221 412351766 /nfs/dbraw/zinc/35/17/66/412351766.db2.gz JHLFJOQIVPZJGC-NXEZZACHSA-N 0 3 240.282 0.158 20 0 BCADHN CC[C@]1(C)CCN(CCN2C(=O)CNC2=O)C1 ZINC000336682412 171714324 /nfs/dbraw/zinc/71/43/24/171714324.db2.gz DGCJLWJCHXDMGB-GFCCVEGCSA-N 0 3 239.319 0.660 20 0 BCADHN CCCN1CC[C@H](Nc2cc(C#N)cnn2)C1 ZINC000396972206 412355578 /nfs/dbraw/zinc/35/55/78/412355578.db2.gz CQGFOBDZSOHKRY-NSHDSACASA-N 0 3 231.303 1.244 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCCOCCF ZINC000663003684 412367847 /nfs/dbraw/zinc/36/78/47/412367847.db2.gz NFNOUJOPPVZUJS-MRVPVSSYSA-N 0 3 220.288 0.462 20 0 BCADHN CCCN[C@H](C)C(=O)Nc1ccn(C)n1 ZINC000566149514 412357251 /nfs/dbraw/zinc/35/72/51/412357251.db2.gz OTOHWHXJAXOPMT-MRVPVSSYSA-N 0 3 210.281 0.747 20 0 BCADHN O=C(Nc1ccc(=O)[nH]n1)C12CCCN1CCC2 ZINC000415463057 412361250 /nfs/dbraw/zinc/36/12/50/412361250.db2.gz ISSAAQKVGBOOBW-UHFFFAOYSA-N 0 3 248.286 0.749 20 0 BCADHN COCC1(NC(=O)[C@H](C)N)CCCCC1 ZINC000662986724 412363139 /nfs/dbraw/zinc/36/31/39/412363139.db2.gz AFXSJYXOQJKKGV-VIFPVBQESA-N 0 3 214.309 0.799 20 0 BCADHN Cc1cc2nccc(NC(=O)[C@H](N)C(C)C)n2n1 ZINC000662990272 412363785 /nfs/dbraw/zinc/36/37/85/412363785.db2.gz RWSPRAWJBYHIHS-LLVKDONJSA-N 0 3 247.302 0.960 20 0 BCADHN Cn1cccc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662746481 412289881 /nfs/dbraw/zinc/28/98/81/412289881.db2.gz LLZGFQNHYXUOCQ-RKDXNWHRSA-N 0 3 225.267 0.536 20 0 BCADHN Cc1nn(C)cc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748726 412291660 /nfs/dbraw/zinc/29/16/60/412291660.db2.gz DSVRIKHIPUZZKX-NXEZZACHSA-N 0 3 240.282 0.240 20 0 BCADHN C[C@H]1CN(C(=O)Cc2cscn2)[C@@H](C)CN1 ZINC000662763667 412293484 /nfs/dbraw/zinc/29/34/84/412293484.db2.gz CIOGOHUAQFZZBF-IUCAKERBSA-N 0 3 239.344 0.894 20 0 BCADHN COCCNCCNC(=O)Cc1cscn1 ZINC000662763446 412293773 /nfs/dbraw/zinc/29/37/73/412293773.db2.gz BVUNULAQRGQREB-UHFFFAOYSA-N 0 3 243.332 0.038 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccn([C@@H](C)COC)n1 ZINC000579852569 412295822 /nfs/dbraw/zinc/29/58/22/412295822.db2.gz QCMVUMUXIKEWAD-IUCAKERBSA-N 0 3 240.307 0.637 20 0 BCADHN [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000662766720 412296151 /nfs/dbraw/zinc/29/61/51/412296151.db2.gz OEYMFZKPCDHWDT-KWQFWETISA-N 0 3 236.271 0.695 20 0 BCADHN CN[C@@H](C)C(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000582072440 412296476 /nfs/dbraw/zinc/29/64/76/412296476.db2.gz WKSGJHKDXQKWOA-LURJTMIESA-N 0 3 236.250 1.248 20 0 BCADHN C[C@H]1NCCN(C(=O)Cc2cscn2)[C@H]1C ZINC000662771903 412296632 /nfs/dbraw/zinc/29/66/32/412296632.db2.gz BEFVPBIAKJKDKB-BDAKNGLRSA-N 0 3 239.344 0.894 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccn(CC(F)F)n1 ZINC000517245740 412296812 /nfs/dbraw/zinc/29/68/12/412296812.db2.gz AIOIMFXCQGSBCT-LURJTMIESA-N 0 3 232.234 0.695 20 0 BCADHN CC1(C)CN(C(=O)Cc2cscn2)CCN1 ZINC000662785136 412302033 /nfs/dbraw/zinc/30/20/33/412302033.db2.gz VPEABUAVXSLPLX-UHFFFAOYSA-N 0 3 239.344 0.896 20 0 BCADHN O=C(NCc1c[nH]cn1)C1(NC2CC2)CCC1 ZINC000662791852 412304173 /nfs/dbraw/zinc/30/41/73/412304173.db2.gz MYSSEAOCAGFTES-UHFFFAOYSA-N 0 3 234.303 0.701 20 0 BCADHN CC12CC(C1)CN2C(=O)[C@@H](N)CC(F)F ZINC000663016467 412371966 /nfs/dbraw/zinc/37/19/66/412371966.db2.gz DRJLRHFALOPQMC-DSQUFTABSA-N 0 3 218.247 0.980 20 0 BCADHN CC[C@H]1CN(C[C@@H]2CNCCO2)CCS1 ZINC000133030968 412390710 /nfs/dbraw/zinc/39/07/10/412390710.db2.gz UYIHKEUCFBABKT-QWRGUYRKSA-N 0 3 230.377 0.802 20 0 BCADHN CCNC(=O)[C@@H](C)NCc1ccc(CO)cc1 ZINC000133049955 412393158 /nfs/dbraw/zinc/39/31/58/412393158.db2.gz GYPDTYOMKFYGNW-SNVBAGLBSA-N 0 3 236.315 0.793 20 0 BCADHN CC[C@H](C)OCC(=O)N1CCOC2(CNC2)C1 ZINC000663217937 412393345 /nfs/dbraw/zinc/39/33/45/412393345.db2.gz UUTSFCFKEFPCJP-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN C[C@H](NCc1ccc(CO)cc1)C(=O)N(C)C ZINC000133046141 412393826 /nfs/dbraw/zinc/39/38/26/412393826.db2.gz HWDVINWJWVIMIF-JTQLQIEISA-N 0 3 236.315 0.745 20 0 BCADHN NCc1noc(-c2cccc3c2CNC3)n1 ZINC000663251628 412401206 /nfs/dbraw/zinc/40/12/06/412401206.db2.gz PFBDRDKOGNZFPX-UHFFFAOYSA-N 0 3 216.244 0.799 20 0 BCADHN Cc1cc(N2CC[C@@H](F)[C@H](N)C2)ncn1 ZINC000663276630 412406222 /nfs/dbraw/zinc/40/62/22/412406222.db2.gz GKUOJLRIJPQCBS-RKDXNWHRSA-N 0 3 210.256 0.661 20 0 BCADHN N[C@@H]1CN(c2cc3c(nn2)CCC3)CC[C@H]1F ZINC000663277108 412406426 /nfs/dbraw/zinc/40/64/26/412406426.db2.gz RJKJIRQVMYBUFQ-NXEZZACHSA-N 0 3 236.294 0.841 20 0 BCADHN Cc1nccc(NCc2nc(C[NH3+])cc(=O)[n-]2)n1 ZINC000663277373 412406647 /nfs/dbraw/zinc/40/66/47/412406647.db2.gz NBXWXTYXPSFUII-UHFFFAOYSA-N 0 3 246.274 0.351 20 0 BCADHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)C(N)=O)CC2 ZINC000330655026 172015618 /nfs/dbraw/zinc/01/56/18/172015618.db2.gz MIRQXKFKNOMKRY-YUMQZZPRSA-N 0 3 237.307 0.669 20 0 BCADHN CCc1ncc(CNC[C@@H](O)COC)s1 ZINC000070589675 172018506 /nfs/dbraw/zinc/01/85/06/172018506.db2.gz VWUMSBCCIGAGKH-MRVPVSSYSA-N 0 3 230.333 0.802 20 0 BCADHN CCc1ncc(NC(=O)N2CCCNCC2)cn1 ZINC000332340437 172022579 /nfs/dbraw/zinc/02/25/79/172022579.db2.gz SOPOWSSPGVBRDX-UHFFFAOYSA-N 0 3 249.318 0.866 20 0 BCADHN CCc1ncsc1C(=O)NCCN(C)C ZINC000075218142 172034698 /nfs/dbraw/zinc/03/46/98/172034698.db2.gz JFWZILKHOQRVPR-UHFFFAOYSA-N 0 3 227.333 0.997 20 0 BCADHN CCc1nn(C)cc1NC(=O)NCCN(C)C ZINC000272378964 172041367 /nfs/dbraw/zinc/04/13/67/172041367.db2.gz QYEWZJGOWNLGBE-UHFFFAOYSA-N 0 3 239.323 0.666 20 0 BCADHN CCc1nnc(CN[C@H](C)[C@H]2CCOC2)n1C ZINC000162854905 172053466 /nfs/dbraw/zinc/05/34/66/172053466.db2.gz IIKDOILHRKJSKB-ZJUUUORDSA-N 0 3 238.335 0.892 20 0 BCADHN CCc1nnc(N(C)CCN(C)C)nc1CC ZINC000277175733 172056712 /nfs/dbraw/zinc/05/67/12/172056712.db2.gz GHYQDJAASBNCIJ-UHFFFAOYSA-N 0 3 237.351 0.994 20 0 BCADHN CCc1nnc(NC(=O)[C@@]2(F)CCNC2)s1 ZINC000370792967 172059550 /nfs/dbraw/zinc/05/95/50/172059550.db2.gz FPFFSTCJMRPHAF-SECBINFHSA-N 0 3 244.295 0.741 20 0 BCADHN CCc1nnc2n1C[C@@H](NC1COC1)CC2 ZINC000376903171 172069193 /nfs/dbraw/zinc/06/91/93/172069193.db2.gz LOVQBHHCCSUZDZ-QMMMGPOBSA-N 0 3 222.292 0.144 20 0 BCADHN CCc1noc(NC(=O)NCCN(C)C)n1 ZINC000294366510 172085926 /nfs/dbraw/zinc/08/59/26/172085926.db2.gz ZLJYTYVEHFQOQV-UHFFFAOYSA-N 0 3 227.268 0.315 20 0 BCADHN CCn1cc(C(=O)N2C[C@H](C)NC[C@H]2C)cn1 ZINC000237233437 172152352 /nfs/dbraw/zinc/15/23/52/172152352.db2.gz RBIOEQHDLZXHEA-VHSXEESVSA-N 0 3 236.319 0.725 20 0 BCADHN CCn1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)cn1 ZINC000237233134 172152561 /nfs/dbraw/zinc/15/25/61/172152561.db2.gz RBIOEQHDLZXHEA-NXEZZACHSA-N 0 3 236.319 0.725 20 0 BCADHN CCn1cc(C(=O)NCCN(C)C)cn1 ZINC000114558875 172154119 /nfs/dbraw/zinc/15/41/19/172154119.db2.gz OMUJTIRYEYIKHG-UHFFFAOYSA-N 0 3 210.281 0.194 20 0 BCADHN CCn1cc(CNCCc2cnn(C)c2)cn1 ZINC000083421780 172170115 /nfs/dbraw/zinc/17/01/15/172170115.db2.gz SSKFZBVBDVCSOX-UHFFFAOYSA-N 0 3 233.319 0.969 20 0 BCADHN CCn1cc(CNCC2([S@](C)=O)CC2)cn1 ZINC000282258810 172170158 /nfs/dbraw/zinc/17/01/58/172170158.db2.gz GYRHRXUANISIIM-INIZCTEOSA-N 0 3 241.360 0.904 20 0 BCADHN CCn1cc(CNCCC[S@](C)=O)cn1 ZINC000116919763 172170573 /nfs/dbraw/zinc/17/05/73/172170573.db2.gz KCADZXPELFJULD-OAHLLOKOSA-N 0 3 229.349 0.761 20 0 BCADHN CCn1cc(CNC[C@@H]2CC[C@H](CO)O2)cn1 ZINC000353713159 172171817 /nfs/dbraw/zinc/17/18/17/172171817.db2.gz VVEUZBFPBSGWTB-NWDGAFQWSA-N 0 3 239.319 0.533 20 0 BCADHN CCn1cc(CNC[C@@]2(O)CCSC2)cn1 ZINC000165139283 172171835 /nfs/dbraw/zinc/17/18/35/172171835.db2.gz MFKURMODINMZMI-NSHDSACASA-N 0 3 241.360 0.861 20 0 BCADHN CCn1cc(CNC[C@@]2(O)CCO[C@H]2C)cn1 ZINC000227970750 172172558 /nfs/dbraw/zinc/17/25/58/172172558.db2.gz XCLVANYUMNOQJS-JQWIXIFHSA-N 0 3 239.319 0.533 20 0 BCADHN CCn1cc(CN[C@H](CO)CCOC)cn1 ZINC000282145088 172175847 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248.326 0.634 20 0 BCADHN CO[C@@](C)(C(=O)N(C)CCN(C)C)C1CC1 ZINC000360335102 174786521 /nfs/dbraw/zinc/78/65/21/174786521.db2.gz QFMPPABKSNYFAX-GFCCVEGCSA-N 0 3 228.336 0.822 20 0 BCADHN CO[C@H](C)CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000223763546 174832689 /nfs/dbraw/zinc/83/26/89/174832689.db2.gz YUTOLYBTKAAPJZ-AEJSXWLSSA-N 0 3 214.309 0.526 20 0 BCADHN CO[C@H]1CCC[C@@H]1CNCc1cn(C)nn1 ZINC000336763883 174881399 /nfs/dbraw/zinc/88/13/99/174881399.db2.gz MPHLDQUGDAZRGP-KOLCDFICSA-N 0 3 224.308 0.720 20 0 BCADHN CO[C@H]1C[C@@H](NC(=O)[C@H](N)C(C)C)C1(C)C ZINC000234773795 174904230 /nfs/dbraw/zinc/90/42/30/174904230.db2.gz CNOZTLOQGBEXOA-KXUCPTDWSA-N 0 3 228.336 0.899 20 0 BCADHN COc1cc(CNC(CO)CO)cc(OC)c1 ZINC000087749660 174983692 /nfs/dbraw/zinc/98/36/92/174983692.db2.gz VJSXAADWPVIEKQ-UHFFFAOYSA-N 0 3 241.287 0.147 20 0 BCADHN COc1ccc(C(=O)NC[C@@H]2CCCN2C)nc1 ZINC000360035051 175060128 /nfs/dbraw/zinc/06/01/28/175060128.db2.gz CQNIQPRTMXTYKW-JTQLQIEISA-N 0 3 249.314 0.914 20 0 BCADHN COc1ccc(C(=O)N[C@H](C)CN(C)C)nc1 ZINC000360610155 175062908 /nfs/dbraw/zinc/06/29/08/175062908.db2.gz IHFWLIUREVILGP-SECBINFHSA-N 0 3 237.303 0.770 20 0 BCADHN COc1ccc(CNC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000050457475 175104612 /nfs/dbraw/zinc/10/46/12/175104612.db2.gz GZVIGWJSFSTWTL-MNOVXSKESA-N 0 3 220.272 0.659 20 0 BCADHN COc1ccc(CN[C@H](C)[C@H]2CCOC2)nn1 ZINC000283324960 175111007 /nfs/dbraw/zinc/11/10/07/175111007.db2.gz ZVUCGDNWEJJATF-ZJUUUORDSA-N 0 3 237.303 1.000 20 0 BCADHN COc1ccc(F)c(NC(=O)[C@H](CN)OC)c1 ZINC000227391698 175126453 /nfs/dbraw/zinc/12/64/53/175126453.db2.gz PBRVONMSWWZPQW-JTQLQIEISA-N 0 3 242.250 0.747 20 0 BCADHN COc1ccc(NC(=O)[C@H](C)N)cc1OC ZINC000011957755 175146289 /nfs/dbraw/zinc/14/62/89/175146289.db2.gz RXZTXAWZHWLUAN-ZETCQYMHSA-N 0 3 224.260 0.990 20 0 BCADHN COc1ccc(NC(=O)[C@H](CN)OC)cc1F ZINC000227348562 175146301 /nfs/dbraw/zinc/14/63/01/175146301.db2.gz WSSVIZBEFHZVHN-JTQLQIEISA-N 0 3 242.250 0.747 20 0 BCADHN COc1ccc(NC(=O)[C@H]2C[C@H](O)CN2)cc1 ZINC000020433729 175147889 /nfs/dbraw/zinc/14/78/89/175147889.db2.gz QDLTVAJBXKWPKG-GXSJLCMTSA-N 0 3 236.271 0.357 20 0 BCADHN COc1ccc([O-])c(C(=O)NC(C)(C)C[NH3+])c1 ZINC000063020058 175157555 /nfs/dbraw/zinc/15/75/55/175157555.db2.gz QCXNATPHTQDMRM-UHFFFAOYSA-N 0 3 238.287 0.868 20 0 BCADHN COc1ccc([O-])c(C(=O)NCCCC[NH3+])c1 ZINC000043327751 175158225 /nfs/dbraw/zinc/15/82/25/175158225.db2.gz LFIFXLPHGURTKH-UHFFFAOYSA-N 0 3 238.287 0.870 20 0 BCADHN COc1cccc(C(=O)NCC[C@H](C)[NH3+])c1[O-] ZINC000063170500 175245032 /nfs/dbraw/zinc/24/50/32/175245032.db2.gz WSUHZDUGPCBAMZ-QMMMGPOBSA-N 0 3 238.287 0.868 20 0 BCADHN COc1cccc(C(=O)N[C@H](C)CC[NH3+])c1[O-] ZINC000050378006 175246469 /nfs/dbraw/zinc/24/64/69/175246469.db2.gz SBMMVRUINJKWFY-MRVPVSSYSA-N 0 3 238.287 0.868 20 0 BCADHN COc1cccc(CN2CC[C@H](CC(N)=O)C2)n1 ZINC000367988681 175260403 /nfs/dbraw/zinc/26/04/03/175260403.db2.gz MANAHVLEQNGEDD-SNVBAGLBSA-N 0 3 249.314 0.788 20 0 BCADHN COc1cccc(CNCCCn2ccnn2)n1 ZINC000126953523 175264213 /nfs/dbraw/zinc/26/42/13/175264213.db2.gz MJYCWOMFGIHADD-UHFFFAOYSA-N 0 3 247.302 0.862 20 0 BCADHN COc1cccc(CNCCN2CCC2)n1 ZINC000336698603 175264476 /nfs/dbraw/zinc/26/44/76/175264476.db2.gz MVMMKCGRSUEJHZ-UHFFFAOYSA-N 0 3 221.304 0.886 20 0 BCADHN COc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2)c1 ZINC000020434409 175277145 /nfs/dbraw/zinc/27/71/45/175277145.db2.gz YDHSNGZHTUPXRM-KOLCDFICSA-N 0 3 236.271 0.357 20 0 BCADHN COc1ccccc1CCNC(=O)[C@H](C)N ZINC000011957876 175323509 /nfs/dbraw/zinc/32/35/09/175323509.db2.gz KWSPCVCYRMIMGH-VIFPVBQESA-N 0 3 222.288 0.701 20 0 BCADHN COc1ccccc1CN1C[C@@H](O)C[C@H]1CO ZINC000187670243 175329063 /nfs/dbraw/zinc/32/90/63/175329063.db2.gz WUFPCGBWDMCTGT-RYUDHWBXSA-N 0 3 237.299 0.623 20 0 BCADHN COc1ccccc1[C@@H](O)CNC(=O)[C@@H](C)N ZINC000154302864 175347027 /nfs/dbraw/zinc/34/70/27/175347027.db2.gz NTUZTRWBYJHOFT-SCZZXKLOSA-N 0 3 238.287 0.192 20 0 BCADHN COc1ccccc1[C@H](C)NC(=O)CN ZINC000040419385 175350837 /nfs/dbraw/zinc/35/08/37/175350837.db2.gz LETGXYCQCRCZNH-QMMMGPOBSA-N 0 3 208.261 0.831 20 0 BCADHN COc1ccnc(NC[C@@H]2CCCN2C)n1 ZINC000221257413 175364606 /nfs/dbraw/zinc/36/46/06/175364606.db2.gz NODNEZJNZGUOFB-VIFPVBQESA-N 0 3 222.292 0.991 20 0 BCADHN COc1ccncc1NC(=O)[C@]1(F)CCNC1 ZINC000366331297 175376001 /nfs/dbraw/zinc/37/60/01/175376001.db2.gz VCAKBHZQQIEHTP-NSHDSACASA-N 0 3 239.250 0.730 20 0 BCADHN COc1ccsc1CNC[C@@]1(O)CCOC1 ZINC000126207565 175378702 /nfs/dbraw/zinc/37/87/02/175378702.db2.gz GKRNQIADSMUREO-NSHDSACASA-N 0 3 243.328 0.998 20 0 BCADHN COc1ccsc1CNC[C@@H](O)CO ZINC000276792259 175378935 /nfs/dbraw/zinc/37/89/35/175378935.db2.gz RFHKCNIPBPBDJH-SSDOTTSWSA-N 0 3 217.290 0.200 20 0 BCADHN COc1cncc(CN2CC[C@@](C)(C(N)=O)C2)c1 ZINC000289157448 175385149 /nfs/dbraw/zinc/38/51/49/175385149.db2.gz DKMZIGJCPIKCAC-CYBMUJFWSA-N 0 3 249.314 0.788 20 0 BCADHN COc1coc(CN[C@H](CO)C(C)C)cc1=O ZINC000362187299 175387126 /nfs/dbraw/zinc/38/71/26/175387126.db2.gz CZAATUNFBUJYJI-SNVBAGLBSA-N 0 3 241.287 0.755 20 0 BCADHN CO[C@](C)(CO)CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000668293903 487630847 /nfs/dbraw/zinc/63/08/47/487630847.db2.gz MAPYJRMDYYJLCR-UTUOFQBUSA-N 0 3 229.320 0.541 20 0 BCADHN CSCC[C@@H](N)C(=O)Nc1cnc(C)nc1 ZINC000269053928 175503090 /nfs/dbraw/zinc/50/30/90/175503090.db2.gz OKYPLRWTCGKACX-SECBINFHSA-N 0 3 240.332 0.804 20 0 BCADHN CO[C@](C)(CO)CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000668293901 487630883 /nfs/dbraw/zinc/63/08/83/487630883.db2.gz MAPYJRMDYYJLCR-SRVKXCTJSA-N 0 3 229.320 0.541 20 0 BCADHN C[C@@H](C(=O)Nc1nccs1)N1CCNCC1 ZINC000020269966 175622173 /nfs/dbraw/zinc/62/21/73/175622173.db2.gz ROPXDPORVGRIDY-QMMMGPOBSA-N 0 3 240.332 0.375 20 0 BCADHN C[C@@H](CC(N)=O)NCCOc1ncccc1F ZINC000271486709 175652466 /nfs/dbraw/zinc/65/24/66/175652466.db2.gz JQZQHXORXCGNJX-QMMMGPOBSA-N 0 3 241.266 0.453 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cnccn1 ZINC000287303137 175699791 /nfs/dbraw/zinc/69/97/91/175699791.db2.gz VQFANVDBBILMFB-QMMMGPOBSA-N 0 3 208.265 0.157 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCC(=O)NCC1CCC1 ZINC000309596498 175761197 /nfs/dbraw/zinc/76/11/97/175761197.db2.gz WJNVCQKIFCAHMA-VHSXEESVSA-N 0 3 228.336 0.509 20 0 BCADHN C[C@@H](Cn1cncn1)N[C@@H](C)c1cn[nH]c1 ZINC000284269155 175784568 /nfs/dbraw/zinc/78/45/68/175784568.db2.gz WSXXFRHFYYQSRI-IUCAKERBSA-N 0 3 220.280 0.741 20 0 BCADHN C[C@@H](N)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000156606610 175794531 /nfs/dbraw/zinc/79/45/31/175794531.db2.gz UPCICLRNEMPBQQ-KOLCDFICSA-N 0 3 247.298 0.033 20 0 BCADHN C[C@@H](NC(=O)NC[C@](C)(O)CN(C)C)C1CC1 ZINC000337386612 175839039 /nfs/dbraw/zinc/83/90/39/175839039.db2.gz IGLWESLZTSJVLS-SKDRFNHKSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H](NCCCc1cnn(C)n1)c1cnn(C)c1 ZINC000293816470 175877024 /nfs/dbraw/zinc/87/70/24/175877024.db2.gz WBMCRKMTAIVAGM-SNVBAGLBSA-N 0 3 248.334 0.832 20 0 BCADHN C[C@@H]1CC(=O)NCCN1C[C@@H]1CCCCO1 ZINC000371196916 176049182 /nfs/dbraw/zinc/04/91/82/176049182.db2.gz GQOSSTJRWNRQDL-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CC(=O)NCCN1CC[C@@H]1CCCO1 ZINC000364279910 176049232 /nfs/dbraw/zinc/04/92/32/176049232.db2.gz HRFSQPKWHYIISD-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CC(=O)NCCN1CCC(C)(C)O ZINC000369421143 176049278 /nfs/dbraw/zinc/04/92/78/176049278.db2.gz BUGFCVVYFWFPAX-SECBINFHSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)c2cncnc2)C1 ZINC000273850408 176098401 /nfs/dbraw/zinc/09/84/01/176098401.db2.gz SHCPUGOZXVSWGF-LLVKDONJSA-N 0 3 248.330 0.938 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)C1=CCOCC1 ZINC000336466138 176166871 /nfs/dbraw/zinc/16/68/71/176166871.db2.gz FVYYSEHFRAEKBH-LLVKDONJSA-N 0 3 238.331 0.886 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CCOC1 ZINC000336520066 176167495 /nfs/dbraw/zinc/16/74/95/176167495.db2.gz IHHVFEBPZKWOQJ-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)CN(C)C ZINC000334294712 176167611 /nfs/dbraw/zinc/16/76/11/176167611.db2.gz UQJFOOBAGPKMJH-SNVBAGLBSA-N 0 3 213.325 0.101 20 0 BCADHN C[C@@H]1CCN([C@@H]2CCCCNC2=O)C[C@H]1O ZINC000299890921 176180142 /nfs/dbraw/zinc/18/01/42/176180142.db2.gz ACDRWVHHQYGQQK-GMTAPVOTSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCCc1ccnn1C ZINC000282694788 176183055 /nfs/dbraw/zinc/18/30/55/176183055.db2.gz ALCSEFUSNQGHTJ-MWLCHTKSSA-N 0 3 236.319 0.077 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCc1cccn1C ZINC000193675478 176184019 /nfs/dbraw/zinc/18/40/19/176184019.db2.gz NHKAEXMUBRQYGH-KOLCDFICSA-N 0 3 221.304 0.639 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NC[C@@H]1CCCCO1 ZINC000193610117 176184463 /nfs/dbraw/zinc/18/44/63/176184463.db2.gz DVCOYZQQNSAPIJ-VWYCJHECSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCCOC1CCC1 ZINC000309515498 176184506 /nfs/dbraw/zinc/18/45/06/176184506.db2.gz YMMRNYNHFIMLJF-KOLCDFICSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NC[C@H]1CCCCO1 ZINC000249430061 176184599 /nfs/dbraw/zinc/18/45/99/176184599.db2.gz DVCOYZQQNSAPIJ-MXWKQRLJSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCc1cc[nH]c1 ZINC000193698870 176184758 /nfs/dbraw/zinc/18/47/58/176184758.db2.gz FFNURIPEAICIHP-SCZZXKLOSA-N 0 3 207.277 0.629 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NCCn2cccn2)C1 ZINC000127003674 176186057 /nfs/dbraw/zinc/18/60/57/176186057.db2.gz RWSVBGBSPDZQQL-GHMZBOCLSA-N 0 3 236.319 0.387 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000127166500 176186613 /nfs/dbraw/zinc/18/66/13/176186613.db2.gz WHTWQCWPAOGIQG-GHMZBOCLSA-N 0 3 248.330 0.613 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NCCn2cccn2)C1 ZINC000127003211 176187616 /nfs/dbraw/zinc/18/76/16/176187616.db2.gz RWSVBGBSPDZQQL-MNOVXSKESA-N 0 3 236.319 0.387 20 0 BCADHN C[C@@H]1CCOCCN1CCN1CCNC1=O ZINC000377554288 176187920 /nfs/dbraw/zinc/18/79/20/176187920.db2.gz LXRLTKDQEFCGBI-SNVBAGLBSA-N 0 3 227.308 0.122 20 0 BCADHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cnn(C)c1 ZINC000103283857 176196275 /nfs/dbraw/zinc/19/62/75/176196275.db2.gz WWOMSIXFGFOMMV-MWLCHTKSSA-N 0 3 236.319 0.506 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CCNS(C)(=O)=O ZINC000122949069 176199533 /nfs/dbraw/zinc/19/95/33/176199533.db2.gz YGZDRRYUXAYFMV-RKDXNWHRSA-N 0 3 220.338 0.408 20 0 BCADHN C[C@H](C(=O)N1CC(O)C1)N1[C@H](C)CC[C@H]1C ZINC000305667327 176200061 /nfs/dbraw/zinc/20/00/61/176200061.db2.gz VDCHBFOQWMNRGR-OPRDCNLKSA-N 0 3 226.320 0.451 20 0 BCADHN C[C@@H]1CC[C@H](CN(C)[C@H]2COC[C@H]2O)O1 ZINC000352796774 176224595 /nfs/dbraw/zinc/22/45/95/176224595.db2.gz HSXVMRIUWDLPRA-CHWFTXMASA-N 0 3 215.293 0.245 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C/CN(C)C)CCO1 ZINC000264617327 176240827 /nfs/dbraw/zinc/24/08/27/176240827.db2.gz JVAMGKHZQRKMBE-ORAHPGNNSA-N 0 3 212.293 0.352 20 0 BCADHN C[C@@H]1CN(C(=O)CN)C[C@@H](c2ccccc2)O1 ZINC000237420573 176246242 /nfs/dbraw/zinc/24/62/42/176246242.db2.gz GOWCKGGTURKJNY-PWSUYJOCSA-N 0 3 234.299 0.934 20 0 BCADHN C[C@@H]1C[C@H]1N1CCN(C(=O)CO)C[C@@H](C)C1 ZINC000346181894 176247212 /nfs/dbraw/zinc/24/72/12/176247212.db2.gz BYHNVMOQFPVKFD-HBNTYKKESA-N 0 3 226.320 0.167 20 0 BCADHN C[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)CCCO1 ZINC000091311879 176248392 /nfs/dbraw/zinc/24/83/92/176248392.db2.gz GFFHRGUSIOPCKN-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2cnn(C)c2)[C@H](C)CN1 ZINC000272523857 176249924 /nfs/dbraw/zinc/24/99/24/176249924.db2.gz IHHXSOHPJGJBIE-NXEZZACHSA-N 0 3 236.319 0.171 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)C(C)(C)C)CCCO1 ZINC000061920197 176254243 /nfs/dbraw/zinc/25/42/43/176254243.db2.gz CUZKIJVJLQAIAX-NXEZZACHSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)[C@@H]1C ZINC000357512432 176255679 /nfs/dbraw/zinc/25/56/79/176255679.db2.gz FFVKHAKOEHWBRY-UTUOFQBUSA-N 0 3 237.347 0.243 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H](N)CC(F)F)C[C@@H](C)O1 ZINC000336642838 176257558 /nfs/dbraw/zinc/25/75/58/176257558.db2.gz ACLQYUCWGMNABB-BWZBUEFSSA-N 0 3 236.262 0.605 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)[C@@H]1C ZINC000357512431 176258481 /nfs/dbraw/zinc/25/84/81/176258481.db2.gz FFVKHAKOEHWBRY-IJLUTSLNSA-N 0 3 237.347 0.243 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)[C@H](C)CN1 ZINC000086468341 176260195 /nfs/dbraw/zinc/26/01/95/176260195.db2.gz DWKSGQNTFOXGBC-RKDXNWHRSA-N 0 3 235.287 0.197 20 0 BCADHN C[C@@H]1CN(C(=O)c2cn(C)cn2)[C@H](C)CN1 ZINC000227506508 176264154 /nfs/dbraw/zinc/26/41/54/176264154.db2.gz VGQDTPATNXVHSR-RKDXNWHRSA-N 0 3 222.292 0.243 20 0 BCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cn[nH]c1 ZINC000266092459 176269173 /nfs/dbraw/zinc/26/91/73/176269173.db2.gz PTEBURAUPXDFQC-MWLCHTKSSA-N 0 3 236.319 0.822 20 0 BCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1c[nH]cn1 ZINC000357308904 176270009 /nfs/dbraw/zinc/27/00/09/176270009.db2.gz YZKAESIFFGVFMC-MWLCHTKSSA-N 0 3 236.319 0.822 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1C(=O)N1CCC(=O)CC1 ZINC000362493113 176270987 /nfs/dbraw/zinc/27/09/87/176270987.db2.gz SLIKDBMOKIGTPW-KOLCDFICSA-N 0 3 224.304 0.376 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCC1(S(C)(=O)=O)CC1 ZINC000309793457 176271931 /nfs/dbraw/zinc/27/19/31/176271931.db2.gz PQZIOBHCBGACJP-ZJUUUORDSA-N 0 3 246.376 0.103 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NC[C@](C)(O)C(F)(F)F ZINC000309788857 176273938 /nfs/dbraw/zinc/27/39/38/176273938.db2.gz OSMHFLAJIZHMKI-VGMNWLOBSA-N 0 3 240.269 0.839 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCc1ccnn1C ZINC000309100382 176274895 /nfs/dbraw/zinc/27/48/95/176274895.db2.gz FKXBMFVDWJZJHL-KOLCDFICSA-N 0 3 208.309 0.460 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnn(C)c1 ZINC000268281511 176281745 /nfs/dbraw/zinc/28/17/45/176281745.db2.gz XFMKOGHRYGFYKF-SKDRFNHKSA-N 0 3 248.330 0.633 20 0 BCADHN C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1C(N)=O ZINC000331638920 176283405 /nfs/dbraw/zinc/28/34/05/176283405.db2.gz ILUWVJXMUJHQAK-PSASIEDQSA-N 0 3 239.319 0.616 20 0 BCADHN C[C@@H]1CN(CC2(C)COC2)C[C@@]2(CCOC2)O1 ZINC000361511370 176284530 /nfs/dbraw/zinc/28/45/30/176284530.db2.gz RAMAFOXBTBABQM-DGCLKSJQSA-N 0 3 241.331 0.903 20 0 BCADHN C[C@@H]1CN(CC2CCCC2)C[C@@H](C(N)=O)O1 ZINC000122708877 176286555 /nfs/dbraw/zinc/28/65/55/176286555.db2.gz VAJUTJZYAFXISJ-KOLCDFICSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H]1CN(CCN2CCN(C)C[C@H]2C)CCO1 ZINC000337247688 176290493 /nfs/dbraw/zinc/29/04/93/176290493.db2.gz KJXHAAPYTKICAX-CHWSQXEVSA-N 0 3 241.379 0.343 20 0 BCADHN C[C@@H]1CN(CCN2C[C@@H](O)C(C)(C)C2)CCO1 ZINC000337479730 176291066 /nfs/dbraw/zinc/29/10/66/176291066.db2.gz UYZDRLMYCSFABR-VXGBXAGGSA-N 0 3 242.363 0.410 20 0 BCADHN C[C@@H]1CN(CCN2C[C@@H](O)C3(CC3)C2)CCO1 ZINC000337428072 176291265 /nfs/dbraw/zinc/29/12/65/176291265.db2.gz TVLPYHDGPRMTAL-VXGBXAGGSA-N 0 3 240.347 0.164 20 0 BCADHN C[C@@H]1CN(CCc2ccncc2)C[C@H]1O ZINC000351831888 176293448 /nfs/dbraw/zinc/29/34/48/176293448.db2.gz ULKPTULYQXRXLZ-ZYHUDNBSSA-N 0 3 206.289 0.937 20 0 BCADHN C[C@@H]1CN(CCc2ccccn2)C[C@H]1O ZINC000351796552 176293749 /nfs/dbraw/zinc/29/37/49/176293749.db2.gz WKMOXYWADDEUSS-ZYHUDNBSSA-N 0 3 206.289 0.937 20 0 BCADHN C[C@@H]1CN(CCn2cncn2)CCS1 ZINC000336631450 176295931 /nfs/dbraw/zinc/29/59/31/176295931.db2.gz QSMOUBBOUPYONE-SECBINFHSA-N 0 3 212.322 0.715 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)COC2CCOCC2)[C@@H]1C ZINC000339573646 176296498 /nfs/dbraw/zinc/29/64/98/176296498.db2.gz MCTNGEHKOWGBAU-IJLUTSLNSA-N 0 3 243.347 0.883 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)Cn2cccn2)[C@@H]1C ZINC000293433184 176297200 /nfs/dbraw/zinc/29/72/00/176297200.db2.gz OASGMHYTPRPABY-GMTAPVOTSA-N 0 3 209.293 0.584 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CN(C)C2CC2)C[C@@H](C)O1 ZINC000310246417 176299167 /nfs/dbraw/zinc/29/91/67/176299167.db2.gz DZFHCYKOMLOVDF-NQBHXWOUSA-N 0 3 242.363 0.551 20 0 BCADHN C[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1CO ZINC000191731220 176310025 /nfs/dbraw/zinc/31/00/25/176310025.db2.gz MEFGJRZXBOKBHV-KOLCDFICSA-N 0 3 209.293 0.480 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1C[C@H](C)[C@H](C)C1 ZINC000362434801 176316192 /nfs/dbraw/zinc/31/61/92/176316192.db2.gz PEPKIFMOJHPGKA-GJMOJQLCSA-N 0 3 213.281 0.158 20 0 BCADHN C[C@@H]1CN([C@H]2CCCCNC2=O)CCCO1 ZINC000245617404 176317559 /nfs/dbraw/zinc/31/75/59/176317559.db2.gz MXWFDKJUZUZNGC-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CN([C@H]2CCN(C3CC3)C2=O)C[C@@H]1CO ZINC000362074595 176318122 /nfs/dbraw/zinc/31/81/22/176318122.db2.gz FVNYKUZCXJLHQY-FOGDFJRCSA-N 0 3 238.331 0.310 20 0 BCADHN C[C@@H]1COCCN(CCn2cccn2)C1 ZINC000336612747 176332514 /nfs/dbraw/zinc/33/25/14/176332514.db2.gz VFVUJGXCCCUIEB-NSHDSACASA-N 0 3 209.293 0.851 20 0 BCADHN C[C@@H]1CSC[C@@H]1NCC(=O)N1CCCC1 ZINC000335589827 176352161 /nfs/dbraw/zinc/35/21/61/176352161.db2.gz QDBBVQHQAGMOIU-ZJUUUORDSA-N 0 3 228.361 0.950 20 0 BCADHN C[C@@H]1CSC[C@@H]1NCc1cnnn1C ZINC000307188720 176353614 /nfs/dbraw/zinc/35/36/14/176353614.db2.gz BVWCZFSVDGRHHM-APPZFPTMSA-N 0 3 212.322 0.656 20 0 BCADHN C[C@@H]1CSC[C@@H]1N[C@@H]1CCCN(C)C1=O ZINC000309098868 176353660 /nfs/dbraw/zinc/35/36/60/176353660.db2.gz DUYQXSMGAUACBV-BBBLOLIVSA-N 0 3 228.361 0.948 20 0 BCADHN C[C@@H]1CSC[C@H]1NCC(=O)N(C)C ZINC000308203301 176354958 /nfs/dbraw/zinc/35/49/58/176354958.db2.gz WTZJQMOHSKBQHL-HTQZYQBOSA-N 0 3 202.323 0.416 20 0 BCADHN C[C@@H]1CSC[C@H]1N[C@@H]1CCCS(=O)(=O)C1 ZINC000336668007 176356075 /nfs/dbraw/zinc/35/60/75/176356075.db2.gz DYIRDWFAHCHLKF-OPRDCNLKSA-N 0 3 249.401 0.905 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)N(C)[C@H]2CCCN(C)C2)CO1 ZINC000353026805 176357018 /nfs/dbraw/zinc/35/70/18/176357018.db2.gz BDNORVUAUMXJIV-UTUOFQBUSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1C[C@@H](CN2CCC[C@H]2C(N)=O)CCO1 ZINC000408143772 176368815 /nfs/dbraw/zinc/36/88/15/176368815.db2.gz BXXKPLKMPQLBGE-VWYCJHECSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H]1C[C@@H](CNC(=O)C2(N)CCC2)CCO1 ZINC000335636825 176369248 /nfs/dbraw/zinc/36/92/48/176369248.db2.gz WIWFUGINKBBXMH-ZJUUUORDSA-N 0 3 226.320 0.799 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)Cn2cccn2)CN1C1CC1 ZINC000177156586 176373870 /nfs/dbraw/zinc/37/38/70/176373870.db2.gz LZTJACBABHGTNS-GHMZBOCLSA-N 0 3 248.330 0.625 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@H](C)C[C@@H](O)C1 ZINC000332126056 176381234 /nfs/dbraw/zinc/38/12/34/176381234.db2.gz IOJMUPMTTFNVKR-FXPVBKGRSA-N 0 3 226.320 0.356 20 0 BCADHN C[C@@H]1C[C@@H]1CC(=O)NCC1(O)CCN(C)CC1 ZINC000354639794 176389128 /nfs/dbraw/zinc/38/91/28/176389128.db2.gz NJQDZCSLSPOMHI-GHMZBOCLSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)[C@H](N)CC(F)F ZINC000308466503 176395105 /nfs/dbraw/zinc/39/51/05/176395105.db2.gz HJRHXWSMGYEYDI-FSDSQADBSA-N 0 3 206.236 0.741 20 0 BCADHN C[C@@H]1[C@H](N[C@@H]2CCN(C)C2=O)CCCN1C ZINC000309366291 176502704 /nfs/dbraw/zinc/50/27/04/176502704.db2.gz BFUUBSOOYGMFJB-GMTAPVOTSA-N 0 3 225.336 0.289 20 0 BCADHN C[C@@]1(CNC(=O)[C@H](N)C2CCC2)CCOC1 ZINC000331565259 176532472 /nfs/dbraw/zinc/53/24/72/176532472.db2.gz JNWXFWZNNKTDJH-PWSUYJOCSA-N 0 3 226.320 0.657 20 0 BCADHN C[C@H](CC(N)=O)NC[C@@H](O)c1ccsc1 ZINC000267214592 176608873 /nfs/dbraw/zinc/60/88/73/176608873.db2.gz HZFIAMUKGKDKTI-VXNVDRBHSA-N 0 3 228.317 0.635 20 0 BCADHN C[C@H](CN(C)C)NC(=O)Cc1ncccc1F ZINC000346181158 176649679 /nfs/dbraw/zinc/64/96/79/176649679.db2.gz HTLZROJNKQFEFU-SECBINFHSA-N 0 3 239.294 0.830 20 0 BCADHN C[C@H](CN(C)C)NC(=O)COc1cccnc1 ZINC000346216321 176650461 /nfs/dbraw/zinc/65/04/61/176650461.db2.gz IFWYPHTYXFNZOK-SNVBAGLBSA-N 0 3 237.303 0.527 20 0 BCADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)N(C)C ZINC000273534492 176678158 /nfs/dbraw/zinc/67/81/58/176678158.db2.gz VNHWUTDZASCUKS-SSDOTTSWSA-N 0 3 239.275 0.058 20 0 BCADHN C[C@H](CO)[C@H](C)NCC(=O)Nc1nccs1 ZINC000274053208 176712989 /nfs/dbraw/zinc/71/29/89/176712989.db2.gz PPALOVLIDPNUIL-SFYZADRCSA-N 0 3 243.332 0.688 20 0 BCADHN C[C@H](Cn1cccn1)NCc1ccnn1C ZINC000037155868 176731103 /nfs/dbraw/zinc/73/11/03/176731103.db2.gz IHGOTWPOTWKFQV-SNVBAGLBSA-N 0 3 219.292 0.795 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000353717601 176747221 /nfs/dbraw/zinc/74/72/21/176747221.db2.gz QFKNNZXGZMXFAC-YUMQZZPRSA-N 0 3 241.316 0.390 20 0 BCADHN C[C@H](N)C(=O)NCCCN1CCc2ccccc21 ZINC000040831570 176748101 /nfs/dbraw/zinc/74/81/01/176748101.db2.gz VAKKVQCTUYLRNT-NSHDSACASA-N 0 3 247.342 0.903 20 0 BCADHN C[C@H](N)C(=O)NC[C@H](O)Cc1ccccc1 ZINC000158223059 176749875 /nfs/dbraw/zinc/74/98/75/176749875.db2.gz XQZUPALVCOJXLN-GXSJLCMTSA-N 0 3 222.288 0.053 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000037018948 176752500 /nfs/dbraw/zinc/75/25/00/176752500.db2.gz SQTXHLZKEOTJJI-QMMMGPOBSA-N 0 3 247.298 0.865 20 0 BCADHN C[C@H](NCCN1C(=O)CNC1=O)c1cccnc1 ZINC000113308649 176847492 /nfs/dbraw/zinc/84/74/92/176847492.db2.gz PSXDOAZWEVQSBH-VIFPVBQESA-N 0 3 248.286 0.284 20 0 BCADHN C[C@@H](CN[C@@H](C)c1ccc(=O)[nH]n1)N(C)C ZINC000309779247 176864755 /nfs/dbraw/zinc/86/47/55/176864755.db2.gz QQMFPNSOCNUJFQ-IUCAKERBSA-N 0 3 224.308 0.371 20 0 BCADHN C[C@H](NCc1ncnn1CCF)[C@H]1CCOC1 ZINC000331316004 176884591 /nfs/dbraw/zinc/88/45/91/176884591.db2.gz YEHCPSMFWGOXPE-UWVGGRQHSA-N 0 3 242.298 0.762 20 0 BCADHN C[C@H](O)CCCN1CCC[C@H]1C(=O)N(C)C ZINC000354903635 176952183 /nfs/dbraw/zinc/95/21/83/176952183.db2.gz YOKYYVLQJPOCML-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H](O)C[C@H](C)NC(=O)NC1CCN(C)CC1 ZINC000341029775 177000511 /nfs/dbraw/zinc/00/05/11/177000511.db2.gz BTIBGTANLHFHJC-UWVGGRQHSA-N 0 3 243.351 0.539 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000358515858 177014812 /nfs/dbraw/zinc/01/48/12/177014812.db2.gz GTOQFPAHJAAJTI-VWYCJHECSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@H](Oc1cccnc1)C(=O)N1CCCNCC1 ZINC000178361974 177025259 /nfs/dbraw/zinc/02/52/59/177025259.db2.gz VELFKJXKMURJEN-NSHDSACASA-N 0 3 249.314 0.671 20 0 BCADHN C[C@H](SCCN(C)C)C(=O)N1CCNC1=O ZINC000120204998 177026705 /nfs/dbraw/zinc/02/67/05/177026705.db2.gz BDBXZGGRVYILIH-QMMMGPOBSA-N 0 3 245.348 0.222 20 0 BCADHN C[C@H](c1ccccc1)N1C[C@@H](O)[C@@H](O)C1 ZINC000086331886 177040488 /nfs/dbraw/zinc/04/04/88/177040488.db2.gz WHJCPLFLBSCWIC-JLLWLGSASA-N 0 3 207.273 0.785 20 0 BCADHN C[C@H](c1cccnc1)N(C)CCC(N)=O ZINC000286371337 177044445 /nfs/dbraw/zinc/04/44/45/177044445.db2.gz HYEBGNXCQMPZFL-SECBINFHSA-N 0 3 207.277 0.950 20 0 BCADHN C[C@H]1CC(=O)NCCN1C[C@@H]1CCC=CO1 ZINC000377882394 177062579 /nfs/dbraw/zinc/06/25/79/177062579.db2.gz FDDDJLOHYNYABM-QWRGUYRKSA-N 0 3 224.304 0.890 20 0 BCADHN C[C@H]1CC(=O)NCCN1CC[C@@H]1CCCO1 ZINC000364279911 177062857 /nfs/dbraw/zinc/06/28/57/177062857.db2.gz HRFSQPKWHYIISD-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CC[C@H](CN2CCNC(=O)C[C@@H]2C)O1 ZINC000365038150 177063131 /nfs/dbraw/zinc/06/31/31/177063131.db2.gz PQRVKZGKKAOLSE-HBNTYKKESA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H]1CC(NC(=O)/C=C/CN(C)C)=NO1 ZINC000272017491 177064748 /nfs/dbraw/zinc/06/47/48/177064748.db2.gz FEMKVCOSXOLDRG-ZJELKQJVSA-N 0 3 211.265 0.343 20 0 BCADHN C[C@H]1CCN(C(=O)C2(N)CCOCC2)C1 ZINC000149695751 177146047 /nfs/dbraw/zinc/14/60/47/177146047.db2.gz RLGNCTXQMNOTAS-VIFPVBQESA-N 0 3 212.293 0.363 20 0 BCADHN C[C@H]1CCCN1C(=O)CCN1CCC[C@@H](O)C1 ZINC000304280917 177106578 /nfs/dbraw/zinc/10/65/78/177106578.db2.gz DPDPDYYCLSXVNM-NWDGAFQWSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H]1CCC[C@H](N(C)C(=O)C(=O)NCCN)C1 ZINC000042491778 177134305 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ZINC000046274143 487675795 /nfs/dbraw/zinc/67/57/95/487675795.db2.gz NHFRRJZCVYOWMY-MWLCHTKSSA-N 0 3 243.351 0.213 20 0 BCADHN COc1ccc([O-])c(C(=O)NC[C@@H](C)[NH3+])c1 ZINC000082573656 487676115 /nfs/dbraw/zinc/67/61/15/487676115.db2.gz BJFHBIQRKIYENK-SSDOTTSWSA-N 0 3 224.260 0.478 20 0 BCADHN C[C@H](O)CN1CCN(C[C@H](C)CO)[C@H](C)C1 ZINC000669692860 487676586 /nfs/dbraw/zinc/67/65/86/487676586.db2.gz BVNBGMYMXBLWOP-TUAOUCFPSA-N 0 3 230.352 0.002 20 0 BCADHN COc1cccc(C(=O)NC[C@@H](C)[NH3+])c1[O-] ZINC000082574206 487676614 /nfs/dbraw/zinc/67/66/14/487676614.db2.gz LSCYLFWGCACVNV-SSDOTTSWSA-N 0 3 224.260 0.478 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)N[C@H](C)CO ZINC000675193873 487678971 /nfs/dbraw/zinc/67/89/71/487678971.db2.gz HLYOUXZHJCTQGK-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)N[C@@H](C)CO ZINC000675193876 487678844 /nfs/dbraw/zinc/67/88/44/487678844.db2.gz HLYOUXZHJCTQGK-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN CNS(=O)(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000671672849 487681893 /nfs/dbraw/zinc/68/18/93/487681893.db2.gz SIOJNUVIBCCPJI-UWVGGRQHSA-N 0 3 249.380 0.303 20 0 BCADHN O[C@@H]1CCCC[C@H]1N1CCc2n[nH]nc2C1 ZINC000351607406 487681565 /nfs/dbraw/zinc/68/15/65/487681565.db2.gz IQJVVFBCIMZYMS-GHMZBOCLSA-N 0 3 222.292 0.466 20 0 BCADHN CCN(C[C@H]1CCCO1)C(=O)[C@H](C)NC ZINC000054076566 487683355 /nfs/dbraw/zinc/68/33/55/487683355.db2.gz YAFPVQDOSDXHCI-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN Cc1ccc(CNC[C@@H]2CCC(=O)N2)nc1 ZINC000087782536 487684544 /nfs/dbraw/zinc/68/45/44/487684544.db2.gz DBFLIRPOKPYZQO-NSHDSACASA-N 0 3 219.288 0.758 20 0 BCADHN CCCC[C@@H](C[NH3+])NC(=O)c1c[n-]nn1 ZINC000087779571 487684903 /nfs/dbraw/zinc/68/49/03/487684903.db2.gz NXFXZJGONSPHLO-ZETCQYMHSA-N 0 3 211.269 0.052 20 0 BCADHN CCCC[C@@H](C[NH3+])NC(=O)c1cnn[n-]1 ZINC000087779571 487684909 /nfs/dbraw/zinc/68/49/09/487684909.db2.gz NXFXZJGONSPHLO-ZETCQYMHSA-N 0 3 211.269 0.052 20 0 BCADHN CCCC[C@@H](C[NH3+])NC(=O)c1cn[n-]n1 ZINC000087779571 487684914 /nfs/dbraw/zinc/68/49/14/487684914.db2.gz NXFXZJGONSPHLO-ZETCQYMHSA-N 0 3 211.269 0.052 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000087790725 487686700 /nfs/dbraw/zinc/68/67/00/487686700.db2.gz OVIIFSSMJVOJEF-GEVSDDDWSA-N 0 3 226.320 0.796 20 0 BCADHN C[C@H](N[C@H](CO)[C@@H](C)c1ccccc1)C(N)=O ZINC000680988228 487686820 /nfs/dbraw/zinc/68/68/20/487686820.db2.gz BOXYCXWNZXQWMU-JBLDHEPKSA-N 0 3 236.315 0.614 20 0 BCADHN C[C@H](c1ccccc1)[C@@H](CO)N[C@@H]1CCNC1=O ZINC000680993531 487688532 /nfs/dbraw/zinc/68/85/32/487688532.db2.gz NOAFFGYCNRSKGD-RAIGVLPGSA-N 0 3 248.326 0.629 20 0 BCADHN CN(CCn1cncn1)CC1(C)COC1 ZINC000671686828 487691755 /nfs/dbraw/zinc/69/17/55/487691755.db2.gz QZFAVMVQBABRBF-UHFFFAOYSA-N 0 3 210.281 0.246 20 0 BCADHN CC[C@](C)(N)c1cn([C@H]2CCC[C@@H]2O)nn1 ZINC000384146456 487694221 /nfs/dbraw/zinc/69/42/21/487694221.db2.gz FTHSIMOONSWMFQ-QXEWZRGKSA-N 0 3 224.308 0.948 20 0 BCADHN CN(Cc1ncc[nH]1)C(=O)C1(N)CCC1 ZINC000088051294 487696485 /nfs/dbraw/zinc/69/64/85/487696485.db2.gz DHJXEIOOLIYCBU-UHFFFAOYSA-N 0 3 208.265 0.250 20 0 BCADHN CC(C)(C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000150206603 487697290 /nfs/dbraw/zinc/69/72/90/487697290.db2.gz JDJZVWOZKXTDSL-QMMMGPOBSA-N 0 3 220.338 0.408 20 0 BCADHN COc1nccc(CNC2CC(OC)C2)n1 ZINC000395164278 262766431 /nfs/dbraw/zinc/76/64/31/262766431.db2.gz KMDBYTHHULMELX-UHFFFAOYSA-N 0 3 223.276 0.752 20 0 BCADHN C[C@@H](Cn1cccn1)NC(=O)[C@H](N)C1CCC1 ZINC000399194825 262779530 /nfs/dbraw/zinc/77/95/30/262779530.db2.gz RQZPXKGZFKEIOA-GXSJLCMTSA-N 0 3 236.319 0.515 20 0 BCADHN CC[C@@](C)(N)c1cn(-c2ccn(C)n2)nn1 ZINC000384198084 487698413 /nfs/dbraw/zinc/69/84/13/487698413.db2.gz ZCYDDEVQHXSDCZ-SNVBAGLBSA-N 0 3 220.280 0.585 20 0 BCADHN CN(C)CCNC(=O)[C@H]1C[C@]1(C)Br ZINC000527642084 262868792 /nfs/dbraw/zinc/86/87/92/262868792.db2.gz KADHXDFXGKDALD-APPZFPTMSA-N 0 3 249.152 0.838 20 0 BCADHN O[C@H](CNCc1ccncc1)[C@@H]1CCCO1 ZINC000527757342 262879932 /nfs/dbraw/zinc/87/99/32/262879932.db2.gz DNPXKWMEWNKMHU-NEPJUHHUSA-N 0 3 222.288 0.711 20 0 BCADHN CCn1nncc1CN[C@H](C)[C@H]1CCCO1 ZINC000527921345 262895300 /nfs/dbraw/zinc/89/53/00/262895300.db2.gz WVXHOILKWOHDTF-MWLCHTKSSA-N 0 3 224.308 0.955 20 0 BCADHN OC[C@@H]1CN(C/C=C/Cl)C[C@H]1CO ZINC000528605594 262961925 /nfs/dbraw/zinc/96/19/25/262961925.db2.gz LXZDMSGFQXTRRI-XOINZRLQSA-N 0 3 205.685 0.272 20 0 BCADHN Cc1nn(C)cc1C(=O)N1CCNCC1(C)C ZINC000226277606 487699685 /nfs/dbraw/zinc/69/96/85/487699685.db2.gz VWXKEGJLVWUMBH-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2cnn(C)c2)nn1 ZINC000384199685 487699758 /nfs/dbraw/zinc/69/97/58/487699758.db2.gz LADDMDVSQHHBRO-NSHDSACASA-N 0 3 234.307 0.644 20 0 BCADHN CC(=O)CCC(=O)N1CC[C@@H](CN(C)C)C1 ZINC000669704957 487702050 /nfs/dbraw/zinc/70/20/50/487702050.db2.gz SBJCDNYXSSRUGE-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1n[nH]cc1C ZINC000669593851 487701849 /nfs/dbraw/zinc/70/18/49/487701849.db2.gz PTYJIHAJOSYHFO-JTQLQIEISA-N 0 3 236.319 0.932 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2cnns2)nn1 ZINC000384225777 487701882 /nfs/dbraw/zinc/70/18/82/487701882.db2.gz VDRQAIRSVYKXJN-SECBINFHSA-N 0 3 238.320 0.762 20 0 BCADHN CCC/C=C\[C@H](O)C(=O)NCCN(C)C ZINC000899919641 584252140 /nfs/dbraw/zinc/25/21/40/584252140.db2.gz DFQVUGOHVQDIFX-GFVADAIESA-N 0 3 214.309 0.381 20 0 BCADHN CN([C@@H]1CCC[C@H]1O)[C@H]1CCCN(C)C1=O ZINC000671716384 487703855 /nfs/dbraw/zinc/70/38/55/487703855.db2.gz HVEPINJEKGLLDV-OUAUKWLOSA-N 0 3 226.320 0.452 20 0 BCADHN CN([C@@H]1CCC[C@H]1O)[C@@H]1CCCN(C)C1=O ZINC000671716383 487704067 /nfs/dbraw/zinc/70/40/67/487704067.db2.gz HVEPINJEKGLLDV-GMTAPVOTSA-N 0 3 226.320 0.452 20 0 BCADHN C[C@H]1CN(C(=O)N[C@H]2CCCN(C)C2)CCN1 ZINC000669403345 487705423 /nfs/dbraw/zinc/70/54/23/487705423.db2.gz WADWGACERJHYNI-QWRGUYRKSA-N 0 3 240.351 0.084 20 0 BCADHN NC(=O)c1cc(NC(=O)C2(N)CC2)ccc1F ZINC000088129995 487706970 /nfs/dbraw/zinc/70/69/70/487706970.db2.gz BSHTUONQUAFUBB-UHFFFAOYSA-N 0 3 237.234 0.354 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)NC1CC1 ZINC000163332180 487712889 /nfs/dbraw/zinc/71/28/89/487712889.db2.gz JVWNJRCBZCUDNE-DTWKUNHWSA-N 0 3 212.293 0.014 20 0 BCADHN CCN1CC[C@H](N2CCC[C@@](C)(O)C2)C1=O ZINC000660163175 487716763 /nfs/dbraw/zinc/71/67/63/487716763.db2.gz SHBMSFLTZMBJER-CMPLNLGQSA-N 0 3 226.320 0.454 20 0 BCADHN CCN1CC[C@@H](N2CCC[C@@](C)(O)C2)C1=O ZINC000660163178 487716790 /nfs/dbraw/zinc/71/67/90/487716790.db2.gz SHBMSFLTZMBJER-ZYHUDNBSSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@@H]1C[C@@H](C)CN(C(=O)COC2(C)CNC2)C1 ZINC000098060250 487717999 /nfs/dbraw/zinc/71/79/99/487717999.db2.gz SNXZCPSVSJKJCB-GHMZBOCLSA-N 0 3 240.347 0.869 20 0 BCADHN Cc1c[nH]nc1C(=O)NC[C@@H](C)N(C)C ZINC000669595602 487717872 /nfs/dbraw/zinc/71/78/72/487717872.db2.gz UUVYRLPQHXJEJE-MRVPVSSYSA-N 0 3 210.281 0.398 20 0 BCADHN CN(CC1CC1)C(=O)COC1(C)CNC1 ZINC000098061180 487718721 /nfs/dbraw/zinc/71/87/21/487718721.db2.gz NCZDUQRJQHRUQW-UHFFFAOYSA-N 0 3 212.293 0.233 20 0 BCADHN CC1(OCC(=O)N2CCOC(C)(C)C2)CNC1 ZINC000098061105 487719030 /nfs/dbraw/zinc/71/90/30/487719030.db2.gz MLIZIOIXCGOGAT-UHFFFAOYSA-N 0 3 242.319 0.002 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)[C@@H]1CCCCN1 ZINC000086125337 487719720 /nfs/dbraw/zinc/71/97/20/487719720.db2.gz IEWOJMVZLFYDGQ-VHSXEESVSA-N 0 3 214.309 0.262 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000681105141 487724259 /nfs/dbraw/zinc/72/42/59/487724259.db2.gz PMXKLSYDLYQQFX-QXEWZRGKSA-N 0 3 208.305 0.995 20 0 BCADHN C[C@H](NCc1cc(C(N)=O)co1)[C@@H]1CCOC1 ZINC000354662379 487725629 /nfs/dbraw/zinc/72/56/29/487725629.db2.gz XJOURILNQISABY-DTWKUNHWSA-N 0 3 238.287 0.893 20 0 BCADHN CN(Cc1cnc[nH]1)C[C@H]1CNc2ccnn2C1 ZINC000668423128 487729057 /nfs/dbraw/zinc/72/90/57/487729057.db2.gz PBLXEBGKQLILOO-SNVBAGLBSA-N 0 3 246.318 0.780 20 0 BCADHN C[C@H](CN1CCCCC1)NCc1ncnn1C ZINC000088572105 487734683 /nfs/dbraw/zinc/73/46/83/487734683.db2.gz RCLONWXGKVDBNF-LLVKDONJSA-N 0 3 237.351 0.779 20 0 BCADHN C[C@@H](C(=O)N(C)CCN(C)C1CC1)N(C)C ZINC000681202036 487746253 /nfs/dbraw/zinc/74/62/53/487746253.db2.gz HOMBBCXTVJFFND-JTQLQIEISA-N 0 3 227.352 0.489 20 0 BCADHN CC[C@H](C)[C@@H](CNCC(=O)N(C)C)OC ZINC000381301887 487746801 /nfs/dbraw/zinc/74/68/01/487746801.db2.gz QZUFVVSHOUXYJD-VHSXEESVSA-N 0 3 216.325 0.725 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC000669601953 487747442 /nfs/dbraw/zinc/74/74/42/487747442.db2.gz HPWTWPVJVODBJR-SNVBAGLBSA-N 0 3 236.319 0.932 20 0 BCADHN CNC(=O)CCNCc1n[nH]c(C)c1C ZINC000885944394 585031249 /nfs/dbraw/zinc/03/12/49/585031249.db2.gz OJEIDKWOUBPOHV-UHFFFAOYSA-N 0 3 210.281 0.252 20 0 BCADHN CC(C)[C@H](CCO)NCC(=O)Nc1ccon1 ZINC000681219780 487749299 /nfs/dbraw/zinc/74/92/99/487749299.db2.gz AVJZIVZMVKFQAG-VIFPVBQESA-N 0 3 241.291 0.610 20 0 BCADHN CC(C)[C@@H](CCO)NCC(=O)Nc1ccon1 ZINC000681219779 487749315 /nfs/dbraw/zinc/74/93/15/487749315.db2.gz AVJZIVZMVKFQAG-SECBINFHSA-N 0 3 241.291 0.610 20 0 BCADHN Cc1c[nH]nc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000669602799 487749797 /nfs/dbraw/zinc/74/97/97/487749797.db2.gz SNMURNSJDIAMLP-SNVBAGLBSA-N 0 3 236.319 0.790 20 0 BCADHN CO[C@@H](CC(C)C)CN1CCC(O)(CO)CC1 ZINC000661618978 487751927 /nfs/dbraw/zinc/75/19/27/487751927.db2.gz BHVXCTVBSUUIKS-LBPRGKRZSA-N 0 3 245.363 0.867 20 0 BCADHN COCCOc1ccccc1NC(=O)[C@H](C)N ZINC000155650364 487754718 /nfs/dbraw/zinc/75/47/18/487754718.db2.gz ZLTJOCXNHIZHQW-VIFPVBQESA-N 0 3 238.287 0.998 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)C(C)(C)O)N(C)C ZINC000665749392 487755566 /nfs/dbraw/zinc/75/55/66/487755566.db2.gz YEBLMOYSYYYOGG-DTWKUNHWSA-N 0 3 216.325 0.602 20 0 BCADHN CCNC(=S)NCCN1CCC[C@H]1C ZINC000743015717 585132965 /nfs/dbraw/zinc/13/29/65/585132965.db2.gz BQKBKXQUJWVCMF-SECBINFHSA-N 0 3 215.366 0.955 20 0 BCADHN CCN(CC(=O)NC)CC1(C)COC1 ZINC000743843560 585140307 /nfs/dbraw/zinc/14/03/07/585140307.db2.gz XWNQHWLOFSYVFI-UHFFFAOYSA-N 0 3 200.282 0.091 20 0 BCADHN CC(C)CN(C)C(=O)N[C@H]1CCN(C)C1 ZINC000744857247 585153809 /nfs/dbraw/zinc/15/38/09/585153809.db2.gz JHMAHLOQNONDTP-JTQLQIEISA-N 0 3 213.325 0.988 20 0 BCADHN CC(C)[C@H](O)C(C)(C)CNC(=O)[C@H](C)N ZINC000157988528 487764021 /nfs/dbraw/zinc/76/40/21/487764021.db2.gz RXOHEWLAZYUGAB-IUCAKERBSA-N 0 3 216.325 0.493 20 0 BCADHN C[C@H](CNC(=O)[C@@]12C[C@@H]1COC2(C)C)N(C)C ZINC000666243888 487765549 /nfs/dbraw/zinc/76/55/49/487765549.db2.gz PKZYZFGNPHRRFF-GIPNMCIBSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@H](CNC(=O)C[C@H]1CCC(=O)N1C)N(C)C ZINC000666244214 487768698 /nfs/dbraw/zinc/76/86/98/487768698.db2.gz TXRMDNPWIQUTPX-NXEZZACHSA-N 0 3 241.335 0.064 20 0 BCADHN CC(C)OCCNC(=O)CNC1CC1 ZINC000159150420 487771199 /nfs/dbraw/zinc/77/11/99/487771199.db2.gz BPJWDZXFMXTBPR-UHFFFAOYSA-N 0 3 200.282 0.280 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CC(N2CC[C@@H](O)C2)C1 ZINC000651977500 487773001 /nfs/dbraw/zinc/77/30/01/487773001.db2.gz NDHIHEGVQJCWLE-CKYFFXLPSA-N 0 3 210.321 0.393 20 0 BCADHN COCC1(N(C)CCCCS(C)(=O)=O)CC1 ZINC000761102282 585409454 /nfs/dbraw/zinc/40/94/54/585409454.db2.gz POZDMKJGHZCKSN-UHFFFAOYSA-N 0 3 249.376 0.922 20 0 BCADHN C[C@H]1CN(C[C@H]2CNCCO2)CC(C)(C)O1 ZINC000251646242 487781080 /nfs/dbraw/zinc/78/10/80/487781080.db2.gz JNBLWOULTCBLFA-WDEREUQCSA-N 0 3 228.336 0.474 20 0 BCADHN COCC(=O)NC1CCN(CCCF)CC1 ZINC000675884923 487786172 /nfs/dbraw/zinc/78/61/72/487786172.db2.gz ZTENJPZHAYAUAQ-UHFFFAOYSA-N 0 3 232.299 0.573 20 0 BCADHN Cc1c(CN(C)C[C@H](C)CO)cnn1C ZINC000675892726 487787872 /nfs/dbraw/zinc/78/78/72/487787872.db2.gz SIHWUPHMNVRGEK-VIFPVBQESA-N 0 3 211.309 0.789 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644814087 487791719 /nfs/dbraw/zinc/79/17/19/487791719.db2.gz HXMZIENQPGYCRL-GXSJLCMTSA-N 0 3 234.303 0.494 20 0 BCADHN CC1(C)CC[C@@H](CN2C[C@H](O)C[C@H](O)C2)O1 ZINC000681404999 487794387 /nfs/dbraw/zinc/79/43/87/487794387.db2.gz OSEZCHBNBAMIID-AXFHLTTASA-N 0 3 229.320 0.372 20 0 BCADHN C[C@H](CNCC[C@H](O)C(F)F)S(C)(=O)=O ZINC000634726309 487794545 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ZINC000796604580 586108184 /nfs/dbraw/zinc/10/81/84/586108184.db2.gz WGNDLPSIOXCZMM-UHFFFAOYSA-N 0 3 230.308 0.527 20 0 BCADHN O=C1NCC[C@H]1N1CCN(c2ccncc2)CC1 ZINC000676241210 487828674 /nfs/dbraw/zinc/82/86/74/487828674.db2.gz IKCOACNNZPFSPA-GFCCVEGCSA-N 0 3 246.314 0.092 20 0 BCADHN O[C@@H](CN[C@H]1CCC[C@H]1F)Cn1cccn1 ZINC000564443832 322945877 /nfs/dbraw/zinc/94/58/77/322945877.db2.gz ONWWUWJTZVCBNM-AXFHLTTASA-N 0 3 227.283 0.724 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCCOC[C@@H]1C ZINC000673186408 487830977 /nfs/dbraw/zinc/83/09/77/487830977.db2.gz BVWBCNPREYELGS-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CSCCS1 ZINC000818122460 586876102 /nfs/dbraw/zinc/87/61/02/586876102.db2.gz VERLRONAELCLQH-GJMOJQLCSA-N 0 3 232.374 0.298 20 0 BCADHN CCOC[C@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000681654134 487831308 /nfs/dbraw/zinc/83/13/08/487831308.db2.gz AKQQROJKBFUSBC-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@]1(NC(=O)N[C@@H](C)CN(C)C)CCOC1 ZINC000673186798 487833491 /nfs/dbraw/zinc/83/34/91/487833491.db2.gz UTUXAHFVQDTOKN-JQWIXIFHSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@H](CO)N(CC[S@@](C)=O)C1CCCC1 ZINC000829077694 587482014 /nfs/dbraw/zinc/48/20/14/587482014.db2.gz LVUUYFUSXUROPO-ZUZCIYMTSA-N 0 3 233.377 0.990 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@](O)(CC)C1 ZINC000495206223 528436118 /nfs/dbraw/zinc/43/61/18/528436118.db2.gz VUWDHVPDDWWSJQ-CMPLNLGQSA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@@](NC(=O)CNC(C)C)(C(N)=O)C(C)C ZINC000517759707 322947630 /nfs/dbraw/zinc/94/76/30/322947630.db2.gz UNVYJERUHWYTHZ-LBPRGKRZSA-N 0 3 243.351 0.391 20 0 BCADHN C[C@H]1CCC[C@@H](CNC(=O)NCCN(C)C)O1 ZINC000666594238 487836463 /nfs/dbraw/zinc/83/64/63/487836463.db2.gz WXKVGKLJOCKPRJ-QWRGUYRKSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2cnn3c2CCC3)C1 ZINC000668097430 487837173 /nfs/dbraw/zinc/83/71/73/487837173.db2.gz IAQAAUQDXSQMEW-CYBMUJFWSA-N 0 3 248.330 0.527 20 0 BCADHN CCO/C=C\C(=O)NCC1(N(C)C)CC1 ZINC000493319823 528521398 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BCADHN CCN1CCCN(Cc2cn[nH]c2)CC1 ZINC000676414781 487850135 /nfs/dbraw/zinc/85/01/35/487850135.db2.gz YONWAUABUYWKGJ-UHFFFAOYSA-N 0 3 208.309 0.937 20 0 BCADHN CO[C@]1(CO)CCCN(Cc2ccn(C)c2)C1 ZINC000668498121 487854874 /nfs/dbraw/zinc/85/48/74/487854874.db2.gz GPHHECUWTYXFEW-CYBMUJFWSA-N 0 3 238.331 0.998 20 0 BCADHN O=C1NCCC[C@H]1N1CCC2(CCO2)CC1 ZINC000558626988 322952688 /nfs/dbraw/zinc/95/26/88/322952688.db2.gz KFCKSSPOSHOHBW-SNVBAGLBSA-N 0 3 224.304 0.520 20 0 BCADHN CN(CCO)CCN(C)C(=O)[C@H]1CC1(F)F ZINC000912599750 640123375 /nfs/dbraw/zinc/12/33/75/640123375.db2.gz SDGLCMIKZUKRMZ-MRVPVSSYSA-N 0 3 236.262 0.024 20 0 BCADHN CC(C(=O)N1CCCOC[C@@H]1C)S(C)(=O)=O ZINC000676515667 487863523 /nfs/dbraw/zinc/86/35/23/487863523.db2.gz XNJNINNNKMSNQW-IUCAKERBSA-N 0 3 249.332 0.057 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1CC(=O)N1CCC1 ZINC000303430843 487866185 /nfs/dbraw/zinc/86/61/85/487866185.db2.gz BKFVKCNZTSSWBL-QWRGUYRKSA-N 0 3 226.320 0.454 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NCc1cnc[nH]1 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/nfs/dbraw/zinc/87/88/72/487878872.db2.gz BGZOASVLQSWGJH-LLVKDONJSA-N 0 3 248.330 0.830 20 0 BCADHN CC[S@](=O)CCNCc1cn[nH]c1 ZINC000308259878 642516060 /nfs/dbraw/zinc/51/60/60/642516060.db2.gz MAGYVBADAXEFCV-ZDUSSCGKSA-N 0 3 201.295 0.268 20 0 BCADHN CCN1C[C@H](N[C@H]2CO[C@H](C3CC3)C2)CC1=O ZINC000668217537 487879385 /nfs/dbraw/zinc/87/93/85/487879385.db2.gz JXSDCPPMLZROEF-UTUOFQBUSA-N 0 3 238.331 0.764 20 0 BCADHN CCCN1CC[C@H](NC(=O)N2CC(CO)C2)C1 ZINC000666923182 487884627 /nfs/dbraw/zinc/88/46/27/487884627.db2.gz GCIJBHKHQIHHHG-NSHDSACASA-N 0 3 241.335 0.104 20 0 BCADHN CCCN1CC[C@H](NC(=O)NC[C@@H](C)O)C1 ZINC000666923440 487885391 /nfs/dbraw/zinc/88/53/91/487885391.db2.gz LABAHNZNZAYEGQ-ZJUUUORDSA-N 0 3 229.324 0.151 20 0 BCADHN CC1(C)CN(Cc2cccnc2)CCN1CCO ZINC000682036098 487887106 /nfs/dbraw/zinc/88/71/06/487887106.db2.gz ZDLNXWUSRCSLDA-UHFFFAOYSA-N 0 3 249.358 0.970 20 0 BCADHN COCCO[C@H]1CCN([C@@H]2CCCOC2)C1 ZINC000682039038 487887470 /nfs/dbraw/zinc/88/74/70/487887470.db2.gz WATZZTGPKCAMRJ-NEPJUHHUSA-N 0 3 229.320 0.903 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(OC)cn1 ZINC000309496384 487888380 /nfs/dbraw/zinc/88/83/80/487888380.db2.gz UARJDXUEDCWDHQ-MRVPVSSYSA-N 0 3 209.249 0.766 20 0 BCADHN Cn1ccnc1[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)C1CC1 ZINC000652258084 487895145 /nfs/dbraw/zinc/89/51/45/487895145.db2.gz JQZREDIIVQNIID-AXFHLTTASA-N 0 3 248.330 0.725 20 0 BCADHN NCc1cn(CCc2ccccn2)nn1 ZINC000050224438 487896160 /nfs/dbraw/zinc/89/61/60/487896160.db2.gz NODRCJMOXOHJQV-UHFFFAOYSA-N 0 3 203.249 0.375 20 0 BCADHN COc1ccc(CCNC(=O)[C@H](C)N)cc1O ZINC000083365681 487903862 /nfs/dbraw/zinc/90/38/62/487903862.db2.gz DPLUMZKHOKJKIZ-QMMMGPOBSA-N 0 3 238.287 0.407 20 0 BCADHN CCCN1CC[C@H](NC(=O)N(C)CCCO)C1 ZINC000666922204 487905832 /nfs/dbraw/zinc/90/58/32/487905832.db2.gz MASLNYYTWTUMPV-NSHDSACASA-N 0 3 243.351 0.495 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N(C)[C@H](C)CO)C1 ZINC000666922587 487905776 /nfs/dbraw/zinc/90/57/76/487905776.db2.gz UOFRVKGTBLPHPI-GHMZBOCLSA-N 0 3 243.351 0.493 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NC[C@@H](O)CC)C1 ZINC000666921082 487906420 /nfs/dbraw/zinc/90/64/20/487906420.db2.gz MLCJRCWGUPLAFK-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN CCC[C@@H](C)NC(=O)NCCNCCOC ZINC000668540943 487909296 /nfs/dbraw/zinc/90/92/96/487909296.db2.gz FXOXOTLOGFRVEG-SNVBAGLBSA-N 0 3 231.340 0.710 20 0 BCADHN CN(CCn1ccccc1=O)CC1(CO)CC1 ZINC000682089508 487908902 /nfs/dbraw/zinc/90/89/02/487908902.db2.gz CUZJTTNAFZQJDD-UHFFFAOYSA-N 0 3 236.315 0.553 20 0 BCADHN CCC[C@@H](C)NC(=O)NC[C@@H]1CNCCO1 ZINC000668541262 487911673 /nfs/dbraw/zinc/91/16/73/487911673.db2.gz KVWICZSGXKSKOA-ZJUUUORDSA-N 0 3 229.324 0.463 20 0 BCADHN CCC[C@H](O)CC(=O)NCCN(C)C1CC1 ZINC000676741286 487912068 /nfs/dbraw/zinc/91/20/68/487912068.db2.gz CXKUGTGXNPJWLB-NSHDSACASA-N 0 3 228.336 0.748 20 0 BCADHN COC[C@@H](NCC(=O)N(C)C)C1CCOCC1 ZINC000682140032 487912944 /nfs/dbraw/zinc/91/29/44/487912944.db2.gz ZRLFETAOUFDUBZ-LLVKDONJSA-N 0 3 244.335 0.106 20 0 BCADHN CC(C)(O)CNC[C@@H](O)C(F)(F)F ZINC000083464556 487913270 /nfs/dbraw/zinc/91/32/70/487913270.db2.gz LVFYKZSQBUGGRX-RXMQYKEDSA-N 0 3 201.188 0.270 20 0 BCADHN CC[C@@H](O)CCNC(=O)C1(N)CCCC1 ZINC000157585518 487914940 /nfs/dbraw/zinc/91/49/40/487914940.db2.gz HFHBQSQLFBTDRE-SECBINFHSA-N 0 3 214.309 0.535 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000668543597 487916525 /nfs/dbraw/zinc/91/65/25/487916525.db2.gz XNNLKJWWNQAANS-JQWIXIFHSA-N 0 3 248.330 0.819 20 0 BCADHN Cc1c[nH]nc1C(=O)NCC1(N(C)C)CCC1 ZINC000669618922 487920849 /nfs/dbraw/zinc/92/08/49/487920849.db2.gz HMSQFPXHKQLWHN-UHFFFAOYSA-N 0 3 236.319 0.932 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CCN(C)C(=O)C1)N(C)C ZINC000684487434 487925852 /nfs/dbraw/zinc/92/58/52/487925852.db2.gz LEKNMTJEMRZFQF-ZJUUUORDSA-N 0 3 241.335 0.064 20 0 BCADHN CC(C)(O)CCN1CCc2cn[nH]c2C1 ZINC000676792198 487929192 /nfs/dbraw/zinc/92/91/92/487929192.db2.gz LQTIQIRHEFFREU-UHFFFAOYSA-N 0 3 209.293 0.929 20 0 BCADHN CCN(C)C(=O)CCN1CCc2cn[nH]c2C1 ZINC000676792948 487930173 /nfs/dbraw/zinc/93/01/73/487930173.db2.gz GSRMGUFIARSRQX-UHFFFAOYSA-N 0 3 236.319 0.636 20 0 BCADHN CN(C)CCN(CC(=O)N(C)C)CC1(F)CC1 ZINC000668558126 487930797 /nfs/dbraw/zinc/93/07/97/487930797.db2.gz XAIFFOXFCJNUTR-UHFFFAOYSA-N 0 3 245.342 0.440 20 0 BCADHN C[C@H]1C[C@@H]1CN(CCN(C)C)CC(=O)N(C)C ZINC000668558227 487930932 /nfs/dbraw/zinc/93/09/32/487930932.db2.gz ZTWFIEWJFZTSPR-NWDGAFQWSA-N 0 3 241.379 0.594 20 0 BCADHN Cc1nccn1CCN1CC[C@@H](C)[C@@H](O)C1 ZINC000221476626 487934602 /nfs/dbraw/zinc/93/46/02/487934602.db2.gz KZSUKPWWNVUFOS-PWSUYJOCSA-N 0 3 223.320 0.894 20 0 BCADHN CN1CCN(C(=O)CCN2CC=CCC2)CC1 ZINC000669932901 487936208 /nfs/dbraw/zinc/93/62/08/487936208.db2.gz VPUXUEJMYBXSKI-UHFFFAOYSA-N 0 3 237.347 0.412 20 0 BCADHN CC(C)NCC(=O)N[C@H](C)c1cn[nH]c1 ZINC000229704449 487937545 /nfs/dbraw/zinc/93/75/45/487937545.db2.gz LRXVRPZPMDKHCT-MRVPVSSYSA-N 0 3 210.281 0.585 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)NCCCCO)C1 ZINC000235268280 487939473 /nfs/dbraw/zinc/93/94/73/487939473.db2.gz BBWLHKRVVXTTKS-NXEZZACHSA-N 0 3 214.309 0.263 20 0 BCADHN NC1(C(=O)NC[C@H]2Cc3ccccc32)CC1 ZINC000083834677 487941225 /nfs/dbraw/zinc/94/12/25/487941225.db2.gz WPNKMTNARYGCBU-SNVBAGLBSA-N 0 3 216.284 0.934 20 0 BCADHN CC1(C)CNCCN1C(=O)c1cnns1 ZINC000083842500 487942483 /nfs/dbraw/zinc/94/24/83/487942483.db2.gz YYGMVMBJKJFTHS-UHFFFAOYSA-N 0 3 226.305 0.362 20 0 BCADHN O=C(NCCN1CCC1)c1[nH]nc2c1CCCC2 ZINC000676949419 487949123 /nfs/dbraw/zinc/94/91/23/487949123.db2.gz VWHGDZVXNDMPIP-UHFFFAOYSA-N 0 3 248.330 0.724 20 0 BCADHN CCCN(C[C@H](C)CO)[C@H]1CC(=O)N(C)C1=O ZINC000669942599 487949891 /nfs/dbraw/zinc/94/98/91/487949891.db2.gz QPBJBGRLTNKBTN-UWVGGRQHSA-N 0 3 242.319 0.084 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)[C@@H](O)C1CC1 ZINC000667183457 487954927 /nfs/dbraw/zinc/95/49/27/487954927.db2.gz ZACFYJDAOSWKEO-ONGXEEELSA-N 0 3 224.304 0.110 20 0 BCADHN CC(C)(C)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673519167 487956614 /nfs/dbraw/zinc/95/66/14/487956614.db2.gz ZVEFEEOCFFRPAB-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)(C)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673519165 487956651 /nfs/dbraw/zinc/95/66/51/487956651.db2.gz ZVEFEEOCFFRPAB-MNOVXSKESA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](C(=O)N(C)CCN(C)C)c1cnn(C)c1 ZINC000530703320 322890758 /nfs/dbraw/zinc/89/07/58/322890758.db2.gz ILJAZLXWEGNJBS-SNVBAGLBSA-N 0 3 238.335 0.544 20 0 BCADHN CCC1(O)CCN(C(=O)[C@H](C)NC2CC2)CC1 ZINC000564663913 322978057 /nfs/dbraw/zinc/97/80/57/322978057.db2.gz NZKNMBBKTXIMHP-JTQLQIEISA-N 0 3 240.347 0.890 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H](O)C1)N1[C@H](C)CC[C@H]1C ZINC000305144839 322979057 /nfs/dbraw/zinc/97/90/57/322979057.db2.gz NERHQZWJJXSGNP-DDHJBXDOSA-N 0 3 240.347 0.841 20 0 BCADHN CN[C@@H](C)C(=O)NCCc1nc2ccccc2[nH]1 ZINC000566475297 323000435 /nfs/dbraw/zinc/00/04/35/323000435.db2.gz YJNWFZQCOWUVIC-VIFPVBQESA-N 0 3 246.314 0.830 20 0 BCADHN OCC(CO)NCc1cccc(-n2cccn2)c1 ZINC000150847776 323000439 /nfs/dbraw/zinc/00/04/39/323000439.db2.gz YFAZBYRHFRVREG-UHFFFAOYSA-N 0 3 247.298 0.315 20 0 BCADHN COCCN(C)CCNC(=O)[C@]1(C)CCCO1 ZINC000150900456 323002146 /nfs/dbraw/zinc/00/21/46/323002146.db2.gz XTUADMRLUIQMPV-LBPRGKRZSA-N 0 3 244.335 0.250 20 0 BCADHN CO[C@@H]1CCCN(CC2(CO)COC2)C1 ZINC000151006060 323005098 /nfs/dbraw/zinc/00/50/98/323005098.db2.gz IUCDMDJIYMIYGV-SNVBAGLBSA-N 0 3 215.293 0.106 20 0 BCADHN OC[C@@H](O)CNCc1ccc2[nH]cnc2c1 ZINC000258922320 323006267 /nfs/dbraw/zinc/00/62/67/323006267.db2.gz IVVYULSWPOIASA-VIFPVBQESA-N 0 3 221.260 0.006 20 0 BCADHN OC[C@@H](O)CNCc1ccc2nc[nH]c2c1 ZINC000258922320 323006268 /nfs/dbraw/zinc/00/62/68/323006268.db2.gz IVVYULSWPOIASA-VIFPVBQESA-N 0 3 221.260 0.006 20 0 BCADHN CCOC(=O)CN(C)Cc1cn[nH]c1C ZINC000128606291 323007397 /nfs/dbraw/zinc/00/73/97/323007397.db2.gz HUVWXNINCXCYNL-UHFFFAOYSA-N 0 3 211.265 0.713 20 0 BCADHN C[C@H](CNC(=O)CC1(O)CCC1)N1CCCC1 ZINC000564527266 323011711 /nfs/dbraw/zinc/01/17/11/323011711.db2.gz NPLGWHXAXHWODQ-LLVKDONJSA-N 0 3 240.347 0.892 20 0 BCADHN Cc1cc(C(=O)NCCN2CC[C@H](C)C2)cnn1 ZINC000527295782 323012967 /nfs/dbraw/zinc/01/29/67/323012967.db2.gz OCDIQOLPEHXBEM-JTQLQIEISA-N 0 3 248.330 0.857 20 0 BCADHN CCOCCCNC(=O)N[C@@H](C)CN(C)C ZINC000562180755 323012970 /nfs/dbraw/zinc/01/29/70/323012970.db2.gz WQAJUAYFSFOEQD-JTQLQIEISA-N 0 3 231.340 0.662 20 0 BCADHN C[C@H]1CCN(CCNC(=O)C2CC(=O)C2)C1 ZINC000562282315 323014844 /nfs/dbraw/zinc/01/48/44/323014844.db2.gz VBHQTMIBIJACFL-VIFPVBQESA-N 0 3 224.304 0.424 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1C[C@@H]1OCC ZINC000562469797 323021015 /nfs/dbraw/zinc/02/10/15/323021015.db2.gz OYYIGDVSJSPJDY-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CN(CCCF)[C@H]1CCC(=O)N(C)C1 ZINC000562478179 323021520 /nfs/dbraw/zinc/02/15/20/323021520.db2.gz WNSATIJBTBVNBH-VIFPVBQESA-N 0 3 202.273 0.899 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)[C@@H]1CCOC1 ZINC000134161793 323022013 /nfs/dbraw/zinc/02/20/13/323022013.db2.gz YYSLYJVTOWYCIN-BBBLOLIVSA-N 0 3 214.309 0.607 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@H](O)C2CCC2)C1 ZINC000562521186 323022695 /nfs/dbraw/zinc/02/26/95/323022695.db2.gz UEARWFPHOFJDRO-CMPLNLGQSA-N 0 3 240.347 0.605 20 0 BCADHN CC[C@@H](C(=O)NCC(=O)OC(C)(C)C)N(C)C ZINC000151802943 323028901 /nfs/dbraw/zinc/02/89/01/323028901.db2.gz VHAIDFAMNLCPPO-VIFPVBQESA-N 0 3 244.335 0.785 20 0 BCADHN C[C@H](N)C(=O)NCCN1CCCc2ccccc21 ZINC000083884157 487956746 /nfs/dbraw/zinc/95/67/46/487956746.db2.gz JUYOITZGCPMIIP-NSHDSACASA-N 0 3 247.342 0.903 20 0 BCADHN COC(=O)CCC(=O)N(CCN(C)C)C(C)C ZINC000151895978 323032550 /nfs/dbraw/zinc/03/25/50/323032550.db2.gz NHQDVCZJIKVTRY-UHFFFAOYSA-N 0 3 244.335 0.738 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000306997464 323032831 /nfs/dbraw/zinc/03/28/31/323032831.db2.gz WHEJKWAXDZEDKP-KZVJFYERSA-N 0 3 200.282 0.406 20 0 BCADHN C[C@@H](CNC[C@H]1CC[C@@H](C)O1)S(C)(=O)=O ZINC000564561391 323033568 /nfs/dbraw/zinc/03/35/68/323033568.db2.gz AGOYXJKENBNIHM-KXUCPTDWSA-N 0 3 235.349 0.577 20 0 BCADHN CN(C)C(=O)C(C)(C)NCCc1ccnn1C ZINC000569711208 323038260 /nfs/dbraw/zinc/03/82/60/323038260.db2.gz SQFXOXBQIQJJFA-UHFFFAOYSA-N 0 3 238.335 0.419 20 0 BCADHN CCc1cccc(CNC[C@@H](O)CO)c1 ZINC000569728670 323039196 /nfs/dbraw/zinc/03/91/96/323039196.db2.gz XPNYCKFSLWUHFT-GFCCVEGCSA-N 0 3 209.289 0.692 20 0 BCADHN Cn1ccnc1[C@H]1CNCCN1Cc1ccno1 ZINC000569847185 323042389 /nfs/dbraw/zinc/04/23/89/323042389.db2.gz GRBOXSQXTODZSW-LLVKDONJSA-N 0 3 247.302 0.555 20 0 BCADHN Cn1cnc(NCCN2CCCCC2)cc1=O ZINC000569867242 323043153 /nfs/dbraw/zinc/04/31/53/323043153.db2.gz GUHDRPWRUIOKBL-UHFFFAOYSA-N 0 3 236.319 0.678 20 0 BCADHN Cc1cccc2c1OC[C@@H](NCCC(N)=O)C2 ZINC000569921016 323044506 /nfs/dbraw/zinc/04/45/06/323044506.db2.gz ONEDRJRPLMUCNR-NSHDSACASA-N 0 3 234.299 0.764 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)NCC1CC1 ZINC000163445607 323045403 /nfs/dbraw/zinc/04/54/03/323045403.db2.gz RBCOHJJNHFIZCQ-VHSXEESVSA-N 0 3 226.320 0.262 20 0 BCADHN Cn1nncc1C(=O)NC[C@H](N)c1ccccc1 ZINC000570041207 323048085 /nfs/dbraw/zinc/04/80/85/323048085.db2.gz MOIIESOWKXRDCR-JTQLQIEISA-N 0 3 245.286 0.245 20 0 BCADHN CCC[C@H](O)CNC[C@@H](C)S(C)(=O)=O ZINC000570044677 323048232 /nfs/dbraw/zinc/04/82/32/323048232.db2.gz VWEPXTPOISLBOB-BDAKNGLRSA-N 0 3 223.338 0.170 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCc2ccccc2CC1 ZINC000570079518 323049159 /nfs/dbraw/zinc/04/91/59/323049159.db2.gz PDEVSZBYXRWWQS-QWHCGFSZSA-N 0 3 230.311 0.961 20 0 BCADHN CC1(C)CN(CC2(O)CCOCC2)CCO1 ZINC000152934431 323049225 /nfs/dbraw/zinc/04/92/25/323049225.db2.gz DYFOMDPFFPINJM-UHFFFAOYSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@H]1CN(C)CCN1CCCC(=O)N(C)C ZINC000570173773 323051996 /nfs/dbraw/zinc/05/19/96/323051996.db2.gz OSXAUCXRJRKVFU-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN CC[C@@H](C)C[C@@H](NC(=O)[C@@H](N)CC)C(=O)OC ZINC000570215884 323053366 /nfs/dbraw/zinc/05/33/66/323053366.db2.gz KVENNTIKHUAUGG-KXUCPTDWSA-N 0 3 244.335 0.818 20 0 BCADHN O=C(CO)N1CCCN(CC2CCC2)CC1 ZINC000570224943 323053421 /nfs/dbraw/zinc/05/34/21/323053421.db2.gz IYRUGTKTWOVDQQ-UHFFFAOYSA-N 0 3 226.320 0.313 20 0 BCADHN CC[C@H](C)C[C@@H](NC(=O)[C@@H](N)CC)C(=O)OC ZINC000570215886 323053490 /nfs/dbraw/zinc/05/34/90/323053490.db2.gz KVENNTIKHUAUGG-LPEHRKFASA-N 0 3 244.335 0.818 20 0 BCADHN C[C@H](CN[C@@H]1CS[C@H](C)C1)S(C)(=O)=O ZINC000570272907 323054412 /nfs/dbraw/zinc/05/44/12/323054412.db2.gz HLRXZJWJYBEXBK-HLTSFMKQSA-N 0 3 237.390 0.903 20 0 BCADHN CO[C@@H](C)CN(C)CCNC(=O)NC(C)C ZINC000570275353 323054571 /nfs/dbraw/zinc/05/45/71/323054571.db2.gz DIEAMEYMWYJQRR-JTQLQIEISA-N 0 3 231.340 0.661 20 0 BCADHN CC[C@H]1CN(C(=O)CNC2CC2)C[C@@H](C)O1 ZINC000154321914 323056289 /nfs/dbraw/zinc/05/62/89/323056289.db2.gz YEJAGGBANJWSLJ-KOLCDFICSA-N 0 3 226.320 0.764 20 0 BCADHN CSCC[C@@H](CO)NCc1cnc(C)n1C ZINC000570345405 323057084 /nfs/dbraw/zinc/05/70/84/323057084.db2.gz MELFMSISLHBQNU-JTQLQIEISA-N 0 3 243.376 0.932 20 0 BCADHN C[C@@H](NC[C@@H]1CCCCS1(=O)=O)[C@H](C)O ZINC000570391141 323058087 /nfs/dbraw/zinc/05/80/87/323058087.db2.gz WJOMRXSUIFTFIO-UTLUCORTSA-N 0 3 235.349 0.313 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)c1ccn(C)n1 ZINC000570571302 323063605 /nfs/dbraw/zinc/06/36/05/323063605.db2.gz FEVDVYIBHFFCPK-MRVPVSSYSA-N 0 3 222.292 0.523 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000570571416 323063612 /nfs/dbraw/zinc/06/36/12/323063612.db2.gz HXQSJIMIAMSUML-IUCAKERBSA-N 0 3 241.335 0.239 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)C(C)(C)CO)C1 ZINC000570654328 323065968 /nfs/dbraw/zinc/06/59/68/323065968.db2.gz YOWFJURIYSGGGK-SNVBAGLBSA-N 0 3 228.336 0.463 20 0 BCADHN CC(C)[C@@H](O)CCNC[C@H](C)S(C)(=O)=O ZINC000570683634 323067057 /nfs/dbraw/zinc/06/70/57/323067057.db2.gz YZCDFQHBTUMLMD-UWVGGRQHSA-N 0 3 237.365 0.416 20 0 BCADHN CCN1C[C@H](C)N(C(=O)c2cnc[nH]2)[C@@H](C)C1 ZINC000570696920 323067744 /nfs/dbraw/zinc/06/77/44/323067744.db2.gz SUHRVWBMHGQOAF-UWVGGRQHSA-N 0 3 236.319 0.964 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)CCC(C)(C)O)C1 ZINC000570705217 323068031 /nfs/dbraw/zinc/06/80/31/323068031.db2.gz VMQUMBZLKWFRTF-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN 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KAIYHIUOFYUBFS-JTQLQIEISA-N 0 3 234.303 0.609 20 0 BCADHN Cn1cncc1CNC[C@@H](CO)Cc1ccco1 ZINC000532866883 323302302 /nfs/dbraw/zinc/30/23/02/323302302.db2.gz TXVPTVZANQRAMO-NSHDSACASA-N 0 3 249.314 0.954 20 0 BCADHN CO[C@H](C(=O)NC[C@@H]1CCCN(C)C1)C1CC1 ZINC000526875081 323304678 /nfs/dbraw/zinc/30/46/78/323304678.db2.gz GHRMDZHDNJKATD-JQWIXIFHSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@H]1CCN(CCNCc2cc[nH]n2)C1 ZINC000309158694 323320859 /nfs/dbraw/zinc/32/08/59/323320859.db2.gz YCZBNCCKQYISRU-JTQLQIEISA-N 0 3 208.309 0.841 20 0 BCADHN COc1cnccc1[C@H](C)NC(=O)[C@H](C)N ZINC000571683172 323346822 /nfs/dbraw/zinc/34/68/22/323346822.db2.gz FHWZIWPMKHCPGP-YUMQZZPRSA-N 0 3 223.276 0.615 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)C[C@H]1CCCO1 ZINC000309388261 323366024 /nfs/dbraw/zinc/36/60/24/323366024.db2.gz FISYOMCZOANQEO-IVZWLZJFSA-N 0 3 214.309 0.798 20 0 BCADHN C[C@@H]1CC(NC(=O)C2(N)CC2)C[C@@H](C)O1 ZINC000309492470 323416752 /nfs/dbraw/zinc/41/67/52/323416752.db2.gz SOYBEWOHWSTSJU-HTQZYQBOSA-N 0 3 212.293 0.550 20 0 BCADHN COC[C@@H](C)C[NH2+]Cc1cnc(C)[n-]c1=O ZINC000309497185 323417625 /nfs/dbraw/zinc/41/76/25/323417625.db2.gz YRMLHPBNDLHPIN-QMMMGPOBSA-N 0 3 225.292 0.863 20 0 BCADHN C[C@]1(CNC(=O)CN)COc2ccccc2O1 ZINC000083887831 487958236 /nfs/dbraw/zinc/95/82/36/487958236.db2.gz MHOHMRSIJIGMNU-LBPRGKRZSA-N 0 3 236.271 0.291 20 0 BCADHN C[C@@H](Cc1ccccn1)NC(=O)C(C)(C)N ZINC000083887979 487958849 /nfs/dbraw/zinc/95/88/49/487958849.db2.gz ILPIPZCFZUQROL-VIFPVBQESA-N 0 3 221.304 0.866 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)NCC1CC(C)(C)C1 ZINC000572264725 323581696 /nfs/dbraw/zinc/58/16/96/323581696.db2.gz NMCRYCGNFHEIER-MRVPVSSYSA-N 0 3 241.335 0.002 20 0 BCADHN COC[C@H](CCO)N[C@H]1COC(C)(C)C1 ZINC000396833615 323658451 /nfs/dbraw/zinc/65/84/51/323658451.db2.gz VCQARAKPWFXQDP-VHSXEESVSA-N 0 3 217.309 0.541 20 0 BCADHN O[C@H](CNCc1ccco1)[C@@H]1CCCO1 ZINC000527759095 323680883 /nfs/dbraw/zinc/68/08/83/323680883.db2.gz MWRXXKNULCBYPD-MNOVXSKESA-N 0 3 211.261 0.909 20 0 BCADHN C[C@H](CNC(=O)c1ccc[nH]c1=O)N1CCCC1 ZINC000057308244 323919410 /nfs/dbraw/zinc/91/94/10/323919410.db2.gz IUVZGKNJNGDWIW-SNVBAGLBSA-N 0 3 249.314 0.589 20 0 BCADHN CC[C@@H](C)NC(=O)CNC(C)(C)COC ZINC000122354334 324045575 /nfs/dbraw/zinc/04/55/75/324045575.db2.gz CILLMHLXQJXNNB-SECBINFHSA-N 0 3 216.325 0.916 20 0 BCADHN CN(C[C@@H]1CCOC1)[C@H]1CCCN(C)C1=O ZINC000537606586 324086227 /nfs/dbraw/zinc/08/62/27/324086227.db2.gz BTBGKNYZYILWGQ-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN CN(C)[C@@H]1CCCN([C@H]2CCCN(C)C2=O)C1 ZINC000537610032 324086827 /nfs/dbraw/zinc/08/68/27/324086827.db2.gz OQPJAMQXEGNDFR-NEPJUHHUSA-N 0 3 239.363 0.633 20 0 BCADHN CN(C)C(=O)CNC[C@H](O)Cc1ccccc1 ZINC000514788853 324110794 /nfs/dbraw/zinc/11/07/94/324110794.db2.gz OIMUJKWEUIXQSA-GFCCVEGCSA-N 0 3 236.315 0.268 20 0 BCADHN C[C@@H](C1CC1)N(C)CC(=O)NC(=O)NC1CC1 ZINC000073779492 324115225 /nfs/dbraw/zinc/11/52/25/324115225.db2.gz VQVHHPFKOCMXMA-QMMMGPOBSA-N 0 3 239.319 0.705 20 0 BCADHN CC(=O)NCC(=O)Nc1ccccc1CN(C)C ZINC000516498287 324117552 /nfs/dbraw/zinc/11/75/52/324117552.db2.gz DLDLHRQDMMQCCZ-UHFFFAOYSA-N 0 3 249.314 0.823 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCC[C@@H](CO)C1)N(C)C ZINC000162966865 324175116 /nfs/dbraw/zinc/17/51/16/324175116.db2.gz NEYFVEOLADVTCA-NEPJUHHUSA-N 0 3 242.363 0.804 20 0 BCADHN CC[C@H](C(=O)N(C)[C@@H]1CCOC1)N(C)C ZINC000152558000 324181453 /nfs/dbraw/zinc/18/14/53/324181453.db2.gz UDMVLXTVTMGMCD-NXEZZACHSA-N 0 3 214.309 0.574 20 0 BCADHN NC(=O)[C@@]1(NCCCc2ccncc2)CCOC1 ZINC000521639278 324186341 /nfs/dbraw/zinc/18/63/41/324186341.db2.gz CCVYSDOFHGAPOQ-CYBMUJFWSA-N 0 3 249.314 0.248 20 0 BCADHN CCOCCN(C)CCN1CCO[C@H](C)C1 ZINC000192784213 324199506 /nfs/dbraw/zinc/19/95/06/324199506.db2.gz RYKDFERYTCISJP-GFCCVEGCSA-N 0 3 230.352 0.675 20 0 BCADHN C[C@H](O)CN1CCOCC2(CCOCC2)C1 ZINC000192793867 324200813 /nfs/dbraw/zinc/20/08/13/324200813.db2.gz QDRCMTYZFFCPPW-NSHDSACASA-N 0 3 229.320 0.496 20 0 BCADHN O=C(Nc1ccc2c[nH]nc2c1)[C@H]1C[C@H](O)CN1 ZINC000037040784 324223955 /nfs/dbraw/zinc/22/39/55/324223955.db2.gz FQCWZJCCLYKBKQ-GXSJLCMTSA-N 0 3 246.270 0.224 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000037043028 324224830 /nfs/dbraw/zinc/22/48/30/324224830.db2.gz KYXBBRRQRMUIIC-QMMMGPOBSA-N 0 3 249.270 0.929 20 0 BCADHN CN(C)C1(CNC(=O)c2cccnn2)CCC1 ZINC000529125602 324247378 /nfs/dbraw/zinc/24/73/78/324247378.db2.gz VAPXAQATKCBQRK-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN Cc1cncn1CC(=O)N1CCN2CCC1CC2 ZINC000529132184 324250128 /nfs/dbraw/zinc/25/01/28/324250128.db2.gz JGDFFFUKBDREPB-UHFFFAOYSA-N 0 3 248.330 0.498 20 0 BCADHN O=C(NCC1CC=CC1)NC[C@@H]1CNCCO1 ZINC000529341796 324277133 /nfs/dbraw/zinc/27/71/33/324277133.db2.gz KSRMFJXAWOJEOG-NSHDSACASA-N 0 3 239.319 0.240 20 0 BCADHN O=C(NCCc1cncnc1)N1CCCNCC1 ZINC000529371676 324281281 /nfs/dbraw/zinc/28/12/81/324281281.db2.gz FQKGFNBCNQHVSU-UHFFFAOYSA-N 0 3 249.318 0.024 20 0 BCADHN Cn1cnc(CCNCc2ccc(F)cn2)n1 ZINC000529541000 324331965 /nfs/dbraw/zinc/33/19/65/324331965.db2.gz GSRWIQNIWPBLMB-UHFFFAOYSA-N 0 3 235.266 0.682 20 0 BCADHN CC[C@H](C(=O)NCc1cnnn1CC)N(C)C ZINC000529561521 324343543 /nfs/dbraw/zinc/34/35/43/324343543.db2.gz MNTXHMQUZKWLDB-SNVBAGLBSA-N 0 3 239.323 0.254 20 0 BCADHN CC[C@H](C(=O)NCc1cnn(CC)n1)N(C)C ZINC000529588757 324354183 /nfs/dbraw/zinc/35/41/83/324354183.db2.gz OSJPXXAKCLSPHO-SNVBAGLBSA-N 0 3 239.323 0.254 20 0 BCADHN CCn1nncc1CNCC[C@@H]1CCOC1 ZINC000529638624 324368538 /nfs/dbraw/zinc/36/85/38/324368538.db2.gz MKODOPHTUWPBEZ-SNVBAGLBSA-N 0 3 224.308 0.814 20 0 BCADHN CCN1CCC(N(C)C(=O)[C@H](C)OC)CC1 ZINC000126485645 324698850 /nfs/dbraw/zinc/69/88/50/324698850.db2.gz GDJMQYRTMUMQSE-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc2c1NC(=O)CO2 ZINC000083912547 487965102 /nfs/dbraw/zinc/96/51/02/487965102.db2.gz JNXLPBTYSMMKOM-LURJTMIESA-N 0 3 235.243 0.303 20 0 BCADHN C[C@@H](N[C@H]1CN(C2CC2)C[C@H]1C)C(=O)N(C)C ZINC000540219603 324893080 /nfs/dbraw/zinc/89/30/80/324893080.db2.gz BTEXOGCJSCYXLH-FOGDFJRCSA-N 0 3 239.363 0.535 20 0 BCADHN CCN(CC)CC(=O)N[C@H](CO)CCSC ZINC000130097267 325012650 /nfs/dbraw/zinc/01/26/50/325012650.db2.gz PMXQZZDVFOEMCF-JTQLQIEISA-N 0 3 248.392 0.558 20 0 BCADHN Cc1nnc(NC(=O)[C@@H]2CCN(C)C2)n1C ZINC000542440723 325026732 /nfs/dbraw/zinc/02/67/32/325026732.db2.gz BIPCCNIIEFUFBQ-MRVPVSSYSA-N 0 3 223.280 0.014 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)NC1(C2CC2)CC1 ZINC000542524470 325033306 /nfs/dbraw/zinc/03/33/06/325033306.db2.gz DAXCXQUDZIJFAQ-MRVPVSSYSA-N 0 3 239.319 0.753 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@@]2(C)CCOC2)C1 ZINC000542591791 325036535 /nfs/dbraw/zinc/03/65/35/325036535.db2.gz MGZUBROAVWDGJK-YPMHNXCESA-N 0 3 240.347 0.871 20 0 BCADHN CC[C@@H](N)C(=O)N(C)CCn1cccn1 ZINC000130514697 325060559 /nfs/dbraw/zinc/06/05/59/325060559.db2.gz OXBHVZRHIBDJFQ-SECBINFHSA-N 0 3 210.281 0.079 20 0 BCADHN OCc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)o1 ZINC000543412623 325086879 /nfs/dbraw/zinc/08/68/79/325086879.db2.gz MBNMLLSFHZMFII-TVYUQYBPSA-N 0 3 237.299 0.975 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@@]2(C)CCOC2)C1 ZINC000543587104 325095016 /nfs/dbraw/zinc/09/50/16/325095016.db2.gz ITUOILIADGGRIS-AAEUAGOBSA-N 0 3 240.347 0.871 20 0 BCADHN C[C@H](CO)NC(=O)CCN(C)c1ccncc1 ZINC000543709935 325102695 /nfs/dbraw/zinc/10/26/95/325102695.db2.gz XDHNGPOXTNIHGY-SNVBAGLBSA-N 0 3 237.303 0.405 20 0 BCADHN O=C(CNCC1(O)CCC1)N1CCCCC1 ZINC000131157704 325122584 /nfs/dbraw/zinc/12/25/84/325122584.db2.gz HNXGKBLRWAIGEJ-UHFFFAOYSA-N 0 3 226.320 0.504 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)NCCN(C)C ZINC000131249505 325130005 /nfs/dbraw/zinc/13/00/05/325130005.db2.gz LGJNGUWSLXCDPW-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN CNC(=O)CN(C)CCC1CCOCC1 ZINC000131378676 325144523 /nfs/dbraw/zinc/14/45/23/325144523.db2.gz SMLAOUHIMKRVGY-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN CNC(=O)NC(=O)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000152629582 325145896 /nfs/dbraw/zinc/14/58/96/325145896.db2.gz NZLRQWUMNJZGAJ-DTORHVGOSA-N 0 3 225.292 0.174 20 0 BCADHN CN1CC[C@](O)(CNC(=O)NC2CCCC2)C1 ZINC000545175979 325183380 /nfs/dbraw/zinc/18/33/80/325183380.db2.gz PFPFXHZMVLZLTL-LBPRGKRZSA-N 0 3 241.335 0.295 20 0 BCADHN CCCCNC(=O)CN1CCC[C@]1(C)CO ZINC000545398590 325219049 /nfs/dbraw/zinc/21/90/49/325219049.db2.gz UHWRKIBUEAOANT-GFCCVEGCSA-N 0 3 228.336 0.750 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@]1(C)CO ZINC000545397056 325219119 /nfs/dbraw/zinc/21/91/19/325219119.db2.gz PIYHTZPTGGAPEG-LLVKDONJSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H]1C[C@H](Nc2ccncc2C(N)=O)CCN1C ZINC000545873147 325240807 /nfs/dbraw/zinc/24/08/07/325240807.db2.gz JYLHPJMCXONRNL-NXEZZACHSA-N 0 3 248.330 0.497 20 0 BCADHN CNC(=O)NC(=O)CN1CC[C@H](CC(C)C)C1 ZINC000074995455 325274444 /nfs/dbraw/zinc/27/44/44/325274444.db2.gz XMNSLRAYFMBIBF-SNVBAGLBSA-N 0 3 241.335 0.810 20 0 BCADHN CN(C)CCNC(=O)NCCCOCC1CC1 ZINC000133364791 325290557 /nfs/dbraw/zinc/29/05/57/325290557.db2.gz VDEHUZNHAFHYCR-UHFFFAOYSA-N 0 3 243.351 0.664 20 0 BCADHN CN1CC[C@H]2CCN(c3nccc(CO)n3)[C@@H]2C1 ZINC000546635535 325296762 /nfs/dbraw/zinc/29/67/62/325296762.db2.gz GFNCTWUFQKYBRD-CMPLNLGQSA-N 0 3 248.330 0.499 20 0 BCADHN CCN(CCO)CCNC(=O)CSC(C)C ZINC000546720007 325304768 /nfs/dbraw/zinc/30/47/68/325304768.db2.gz QYGGEYJECPSCRE-UHFFFAOYSA-N 0 3 248.392 0.558 20 0 BCADHN OCC1(CN2CCOCC3(CCC3)C2)COC1 ZINC000546810505 325313035 /nfs/dbraw/zinc/31/30/35/325313035.db2.gz RSWNEDYJYUUJJP-UHFFFAOYSA-N 0 3 241.331 0.498 20 0 BCADHN CN(C)CCNC(=O)NC[C@]1(C)CCCO1 ZINC000133851477 325324213 /nfs/dbraw/zinc/32/42/13/325324213.db2.gz ZXZPLVDOWMCMPB-NSHDSACASA-N 0 3 229.324 0.416 20 0 BCADHN CN(C)CCNC(=O)NC[C@@H]1CCCS1 ZINC000133861804 325324658 /nfs/dbraw/zinc/32/46/58/325324658.db2.gz DHLCYVPHJPBDNU-VIFPVBQESA-N 0 3 231.365 0.743 20 0 BCADHN CC[C@@H](NC(=O)NCCN(C)C)[C@@H]1CCCO1 ZINC000133946513 325332943 /nfs/dbraw/zinc/33/29/43/325332943.db2.gz LCDNAMKCZQJRNY-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@@H](NC(=O)NCCN(C)C)[C@H]1CCCO1 ZINC000133946921 325332962 /nfs/dbraw/zinc/33/29/62/325332962.db2.gz 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/nfs/dbraw/zinc/00/94/24/326009424.db2.gz DQGKBEYTMDQJQC-BDAKNGLRSA-N 0 3 248.286 0.069 20 0 BCADHN CC(C)(C(=O)NCC(N)=O)[C@H](N)c1ccccc1 ZINC000566194494 326010766 /nfs/dbraw/zinc/01/07/66/326010766.db2.gz ZASHUTAULSXPEJ-LLVKDONJSA-N 0 3 249.314 0.314 20 0 BCADHN C[C@@H](N)C(=O)N(C)[C@@H](CC(N)=O)c1ccccc1 ZINC000566249695 326024180 /nfs/dbraw/zinc/02/41/80/326024180.db2.gz DKHCNPLANJAQGM-KOLCDFICSA-N 0 3 249.314 0.409 20 0 BCADHN CC[C@@H](SC)C(=O)N1CCN(C)C[C@H]1CN ZINC000566289911 326029834 /nfs/dbraw/zinc/02/98/34/326029834.db2.gz NSTKCUUOFVHCCZ-NXEZZACHSA-N 0 3 245.392 0.229 20 0 BCADHN CCC[C@H](C)[C@H](CO)NCC(=O)NC ZINC000566303293 326031316 /nfs/dbraw/zinc/03/13/16/326031316.db2.gz GKYJLAKMAUIQII-IUCAKERBSA-N 0 3 202.298 0.119 20 0 BCADHN COC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000566431544 326046311 /nfs/dbraw/zinc/04/63/11/326046311.db2.gz VKYQIIFTGFDEFY-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@](C)(CO)C(=O)N1CCN(C)CC[C@H]1C ZINC000566441187 326047755 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/nfs/dbraw/zinc/25/69/66/326256966.db2.gz BMOPVEAMRCTDAH-SECBINFHSA-N 0 3 217.313 0.007 20 0 BCADHN CC(C)(C)CCCNC(=O)C(=O)NCCN ZINC000313248338 326259969 /nfs/dbraw/zinc/25/99/69/326259969.db2.gz FUQAMOFFTHXVGO-UHFFFAOYSA-N 0 3 229.324 0.004 20 0 BCADHN CCOC(=O)CCCN(C)CCNC(C)=O ZINC000567813099 326261825 /nfs/dbraw/zinc/26/18/25/326261825.db2.gz SSCWGTFJDCSWMY-UHFFFAOYSA-N 0 3 230.308 0.398 20 0 BCADHN COC(C)(C)CN(C)C(=O)C(N)C(F)(F)F ZINC000567818142 326262843 /nfs/dbraw/zinc/26/28/43/326262843.db2.gz BRVSKEFXBQAQHV-ZCFIWIBFSA-N 0 3 242.241 0.759 20 0 BCADHN CNCC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000567826929 326264856 /nfs/dbraw/zinc/26/48/56/326264856.db2.gz WTYNHTNZKWVJCF-UHFFFAOYSA-N 0 3 245.286 0.640 20 0 BCADHN C[C@@H](C(=O)N1CCCNCC1)C1CCOCC1 ZINC000567833948 326266363 /nfs/dbraw/zinc/26/63/63/326266363.db2.gz GKNPCEKJQDJPGD-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN C/C=C/C[C@H](CO)NC[C@@H](O)C(F)(F)F ZINC000567876094 326272898 /nfs/dbraw/zinc/27/28/98/326272898.db2.gz 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CO[C@@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC000568191811 326324022 /nfs/dbraw/zinc/32/40/22/326324022.db2.gz TXBFSGXOVGPQJS-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CS[C@H]1CC[C@H]1NC1CN(C(C)=O)C1 ZINC000568253458 326328607 /nfs/dbraw/zinc/32/86/07/326328607.db2.gz PROCQQSSJIIKEH-ZJUUUORDSA-N 0 3 214.334 0.701 20 0 BCADHN C[C@H](CCCO)CNC(=O)CN1CC[C@H](C)C1 ZINC000568228737 326329798 /nfs/dbraw/zinc/32/97/98/326329798.db2.gz IMWDSFICEYDZCT-NEPJUHHUSA-N 0 3 242.363 0.853 20 0 BCADHN CC(=O)N1CC(N[C@H](C)[C@@H]2CCCO2)C1 ZINC000568240127 326332829 /nfs/dbraw/zinc/33/28/29/326332829.db2.gz YVNMCUHQWOHKLC-KCJUWKMLSA-N 0 3 212.293 0.374 20 0 BCADHN CNC(=O)CCCN1CCSC[C@H]1CCO ZINC000568409087 326355452 /nfs/dbraw/zinc/35/54/52/326355452.db2.gz YPWXLVMCNRFDFV-SNVBAGLBSA-N 0 3 246.376 0.312 20 0 BCADHN COCC(C)(C)NC(=O)CN1CC[C@H](C)C1 ZINC000568412365 326355710 /nfs/dbraw/zinc/35/57/10/326355710.db2.gz SETDSXIRZGAKMB-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN COCC(C)(C)NC(=O)CN1CC[C@@H](C)C1 ZINC000568412366 326355739 /nfs/dbraw/zinc/35/57/39/326355739.db2.gz SETDSXIRZGAKMB-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cnccc1OC ZINC000568413693 326355962 /nfs/dbraw/zinc/35/59/62/326355962.db2.gz NNKYRASHYDXHBU-ZETCQYMHSA-N 0 3 209.249 0.637 20 0 BCADHN C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H](O)CC2)C1 ZINC000568528062 326363642 /nfs/dbraw/zinc/36/36/42/326363642.db2.gz JGYJDVCSWLBTCM-SRVKXCTJSA-N 0 3 240.347 0.748 20 0 BCADHN CCSCCN1CC[C@H](CO)[C@@H](O)C1 ZINC000568676192 326372338 /nfs/dbraw/zinc/37/23/38/326372338.db2.gz AIUHUHYYXYFSPJ-ZJUUUORDSA-N 0 3 219.350 0.415 20 0 BCADHN CCOCC[C@@H](O)CN[C@H](C)C(=O)N(C)CC ZINC000568742359 326374555 /nfs/dbraw/zinc/37/45/55/326374555.db2.gz OSBFONKHXWTBPV-GHMZBOCLSA-N 0 3 246.351 0.230 20 0 BCADHN CC[C@H](N)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000568752920 326374959 /nfs/dbraw/zinc/37/49/59/326374959.db2.gz IYFIOGNTVLTPNB-JTQLQIEISA-N 0 3 245.286 0.943 20 0 BCADHN CN1CCN(CCn2ccnc2)CC1(C)C ZINC000568763045 326375825 /nfs/dbraw/zinc/37/58/25/326375825.db2.gz BSUBNQQNWKVDLU-UHFFFAOYSA-N 0 3 222.336 0.909 20 0 BCADHN CSC[C@H](O)CN[C@@H]1C=C[C@H](CO)C1 ZINC000568762087 326375928 /nfs/dbraw/zinc/37/59/28/326375928.db2.gz VWWBOYNUFOKLRV-IVZWLZJFSA-N 0 3 217.334 0.237 20 0 BCADHN C[C@@H](O)[C@@H](C)NCc1cccc(CO)n1 ZINC000568983626 326384688 /nfs/dbraw/zinc/38/46/88/326384688.db2.gz LSZZCDCSGLICHK-RKDXNWHRSA-N 0 3 210.277 0.433 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000569019873 326387277 /nfs/dbraw/zinc/38/72/77/326387277.db2.gz PZISDQCZXQNOMI-VIFPVBQESA-N 0 3 245.286 0.814 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1C[C@H](O)C1(C)C ZINC000163331273 326400456 /nfs/dbraw/zinc/40/04/56/326400456.db2.gz XXYFXHXASFHFHD-BDAKNGLRSA-N 0 3 214.309 0.260 20 0 BCADHN C[C@H](CNCCOCC(F)F)S(C)(=O)=O ZINC000572835333 326413948 /nfs/dbraw/zinc/41/39/48/326413948.db2.gz UNFMJJKYHMEVEF-SSDOTTSWSA-N 0 3 245.291 0.291 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@@H](CO)CC1 ZINC000340972374 487978348 /nfs/dbraw/zinc/97/83/48/487978348.db2.gz GKJVEPMKPLHRFB-GFCCVEGCSA-N 0 3 242.363 0.949 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@H](CO)CC1 ZINC000340970275 487978839 /nfs/dbraw/zinc/97/88/39/487978839.db2.gz CXPIJJKYTHFFHY-LBPRGKRZSA-N 0 3 242.363 0.948 20 0 BCADHN Cc1nc([C@@H](C)NC(=O)[C@H](C)N(C)C)n[nH]1 ZINC000672328164 487979335 /nfs/dbraw/zinc/97/93/35/487979335.db2.gz PDEPEAYNLJVONY-RQJHMYQMSA-N 0 3 225.296 0.240 20 0 BCADHN CNC(=O)CCN(C)Cc1ccc(N)nc1 ZINC000220369926 487980501 /nfs/dbraw/zinc/98/05/01/487980501.db2.gz HOCGFUSQPPUVLU-UHFFFAOYSA-N 0 3 222.292 0.232 20 0 BCADHN CN(CCOCC(F)F)C[C@H](O)C1CC1 ZINC000682537146 487980544 /nfs/dbraw/zinc/98/05/44/487980544.db2.gz VADPJYYEIMCYPI-VIFPVBQESA-N 0 3 223.263 0.971 20 0 BCADHN OCC1(O)CCN(CCC[C@@H]2CCOC2)CC1 ZINC000400515409 487982438 /nfs/dbraw/zinc/98/24/38/487982438.db2.gz BTNUICZKGDHDTF-GFCCVEGCSA-N 0 3 243.347 0.622 20 0 BCADHN CN(CCC(N)=O)[C@@H]1COC(C)(C)C1 ZINC000396577984 487984559 /nfs/dbraw/zinc/98/45/59/487984559.db2.gz GMAJQPAOPIWJLW-QMMMGPOBSA-N 0 3 200.282 0.361 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)c1cccc(F)c1 ZINC000673522130 487984246 /nfs/dbraw/zinc/98/42/46/487984246.db2.gz UDBUKHZQAQGYLH-LLVKDONJSA-N 0 3 240.278 0.478 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000220525998 487988337 /nfs/dbraw/zinc/98/83/37/487988337.db2.gz YBKFSEJBVXYZJH-VIFPVBQESA-N 0 3 236.319 0.192 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000220525998 487988340 /nfs/dbraw/zinc/98/83/40/487988340.db2.gz YBKFSEJBVXYZJH-VIFPVBQESA-N 0 3 236.319 0.192 20 0 BCADHN CCN1CCN(C(=O)c2cnc[nH]2)C[C@@H]1C ZINC000677177534 487990354 /nfs/dbraw/zinc/99/03/54/487990354.db2.gz PDRJTYIYPMOIPE-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN CCC[C@@H](O)CC(=O)N1CCN2CCC1CC2 ZINC000682568904 487990015 /nfs/dbraw/zinc/99/00/15/487990015.db2.gz NLNHTZLYDKBEOV-GFCCVEGCSA-N 0 3 240.347 0.844 20 0 BCADHN O[C@@H]1CCCC[C@H]1N1CCO[C@@]2(CCOC2)C1 ZINC000248975709 487994464 /nfs/dbraw/zinc/99/44/64/487994464.db2.gz HOHKXTZATZNLKP-UPJWGTAASA-N 0 3 241.331 0.781 20 0 BCADHN CCN(CC)CC(=O)N1CCO[C@@H](OC)C1 ZINC000682596142 487996177 /nfs/dbraw/zinc/99/61/77/487996177.db2.gz DPQGDTNXFFMYMT-LLVKDONJSA-N 0 3 230.308 0.160 20 0 BCADHN CC(C)NCC(=O)N1CCC(CCO)CC1 ZINC000400998215 487996619 /nfs/dbraw/zinc/99/66/19/487996619.db2.gz CQZMJGTYJYFEAK-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN CCN1CC[C@H](N[C@H]2C[C@H](O)C2(C)C)C1=O ZINC000309640053 487996912 /nfs/dbraw/zinc/99/69/12/487996912.db2.gz KOLOWRHCYGVHRQ-GUBZILKMSA-N 0 3 226.320 0.356 20 0 BCADHN CC[C@H](N)c1cn(CC2(O)CCCC2)nn1 ZINC000229934496 487999399 /nfs/dbraw/zinc/99/93/99/487999399.db2.gz ZIQGYKUBGKZZLN-VIFPVBQESA-N 0 3 224.308 0.993 20 0 BCADHN CCN1CC[C@H](N[C@@H](COC)C(C)C)C1=O ZINC000309668687 487999079 /nfs/dbraw/zinc/99/90/79/487999079.db2.gz VFPJFPBYWZSUAK-QWRGUYRKSA-N 0 3 228.336 0.868 20 0 BCADHN CN1CCN(C(=O)Nc2cccnc2)[C@@H](CN)C1 ZINC000623067098 488000430 /nfs/dbraw/zinc/00/04/30/488000430.db2.gz ZCIWYTZGALVUNL-NSHDSACASA-N 0 3 249.318 0.188 20 0 BCADHN CC[C@@H](N)c1cn(C[C@H](O)C(F)(F)F)nn1 ZINC000229935856 488001550 /nfs/dbraw/zinc/00/15/50/488001550.db2.gz RPSFDGJMDNLAPJ-VDTYLAMSSA-N 0 3 238.213 0.611 20 0 BCADHN CC[C@H](N)c1cn(C[C@H](O)C(F)(F)F)nn1 ZINC000229935860 488001628 /nfs/dbraw/zinc/00/16/28/488001628.db2.gz RPSFDGJMDNLAPJ-FSPLSTOPSA-N 0 3 238.213 0.611 20 0 BCADHN CCN1CCN(C(=O)CN(C)C)C[C@@H]1C ZINC000677218221 488002827 /nfs/dbraw/zinc/00/28/27/488002827.db2.gz XSDVAHRSOGYWRX-JTQLQIEISA-N 0 3 213.325 0.101 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCCN)C1 ZINC000310101835 488004650 /nfs/dbraw/zinc/00/46/50/488004650.db2.gz LLEWMWBDIZAZGL-NXEZZACHSA-N 0 3 241.335 0.098 20 0 BCADHN CC[C@H](N)c1cn([C@H](C)C(=O)NC(C)C)nn1 ZINC000229946710 488005304 /nfs/dbraw/zinc/00/53/04/488005304.db2.gz FCCUSWYTMPLECM-BDAKNGLRSA-N 0 3 239.323 0.774 20 0 BCADHN Cn1nncc1CN[C@@H]1CCCC[C@@H]1CO ZINC000165502528 488007802 /nfs/dbraw/zinc/00/78/02/488007802.db2.gz GXXATXQQXPJHLH-MWLCHTKSSA-N 0 3 224.308 0.456 20 0 BCADHN CC1(C)C[C@@H](N[C@@H]2CCCS(=O)(=O)C2)CO1 ZINC000396792566 488011181 /nfs/dbraw/zinc/01/11/81/488011181.db2.gz UDOKDQSSEWEDJT-NXEZZACHSA-N 0 3 247.360 0.721 20 0 BCADHN c1cc(CN2CCN3CCC2CC3)no1 ZINC000682674598 488011250 /nfs/dbraw/zinc/01/12/50/488011250.db2.gz FMMHZSYOEAAHAB-UHFFFAOYSA-N 0 3 207.277 0.955 20 0 BCADHN CC1(C)C[C@H](N[C@@H]2CCCNC2=O)CO1 ZINC000396796389 488011391 /nfs/dbraw/zinc/01/13/91/488011391.db2.gz FGRBNFGNSJCPRP-DTWKUNHWSA-N 0 3 212.293 0.422 20 0 BCADHN CN1CCC[C@H](NC(=O)C[C@@](C)(O)C2CC2)C1 ZINC000677305666 488011877 /nfs/dbraw/zinc/01/18/77/488011877.db2.gz BWNGCMJXWXDGRR-WCQYABFASA-N 0 3 240.347 0.748 20 0 BCADHN CN1CCC[C@@H](NC(=O)C[C@](C)(O)C2CC2)C1 ZINC000677305667 488011923 /nfs/dbraw/zinc/01/19/23/488011923.db2.gz BWNGCMJXWXDGRR-YPMHNXCESA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1C[C@@H](N(C)C(=O)c2ncc[nH]2)CCN1C ZINC000669126006 488014508 /nfs/dbraw/zinc/01/45/08/488014508.db2.gz SEMAWUNQWQSSKG-ZJUUUORDSA-N 0 3 236.319 0.964 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2cnn(C)c2)nn1 ZINC000229959134 488015078 /nfs/dbraw/zinc/01/50/78/488015078.db2.gz WYOYHDADVJABNG-SNVBAGLBSA-N 0 3 234.307 0.860 20 0 BCADHN NC(=O)C1CCN(Cc2cnn3c2CCC3)CC1 ZINC000667472283 488017806 /nfs/dbraw/zinc/01/78/06/488017806.db2.gz BDXAPLKMZWAZGP-UHFFFAOYSA-N 0 3 248.330 0.527 20 0 BCADHN Cc1ccc(CN(C[C@H](C)O)[C@@H](C)CO)cn1 ZINC000682409008 488022036 /nfs/dbraw/zinc/02/20/36/488022036.db2.gz GSRXQAOHDBLJPG-RYUDHWBXSA-N 0 3 238.331 0.954 20 0 BCADHN CN1CCC[C@@H](CNC(=O)N[C@@H]2CCOC2)C1 ZINC000159338215 488022153 /nfs/dbraw/zinc/02/21/53/488022153.db2.gz NIFQKQVFNDQNBV-WDEREUQCSA-N 0 3 241.335 0.416 20 0 BCADHN NC[C@@H](NC(=O)N1CCCCO1)C(F)(F)F ZINC000655929035 488022248 /nfs/dbraw/zinc/02/22/48/488022248.db2.gz PRCFLXOSTWMAGI-ZCFIWIBFSA-N 0 3 241.213 0.613 20 0 BCADHN Cc1cc(CN2CC[C@H](CO)C2)nc(C)n1 ZINC000659948305 488025508 /nfs/dbraw/zinc/02/55/08/488025508.db2.gz TYBJWZHQUDTNDV-NSHDSACASA-N 0 3 221.304 0.908 20 0 BCADHN CN1CCC[C@@H](NC(=O)N[C@]2(C)CCOC2)C1 ZINC000677384571 488027790 /nfs/dbraw/zinc/02/77/90/488027790.db2.gz PPMQLXIUGCLDDZ-ZYHUDNBSSA-N 0 3 241.335 0.559 20 0 BCADHN CC[C@@H](NC(=O)CNC)[C@@H]1CCCCO1 ZINC000655525160 488031183 /nfs/dbraw/zinc/03/11/83/488031183.db2.gz GNTPFMDOOATXGQ-ZJUUUORDSA-N 0 3 214.309 0.670 20 0 BCADHN CCCCNC(=O)NC[C@@H]1CNCCO1 ZINC000036287722 488033690 /nfs/dbraw/zinc/03/36/90/488033690.db2.gz CESWMPKXBNRUAH-VIFPVBQESA-N 0 3 215.297 0.074 20 0 BCADHN C[C@@H](O)CCCN1CCN(C(C)(C)CO)CC1 ZINC000682766303 488034263 /nfs/dbraw/zinc/03/42/63/488034263.db2.gz UQXIRQAQFQQNEJ-GFCCVEGCSA-N 0 3 244.379 0.536 20 0 BCADHN COCCCCNC(=O)/C=C\CN(C)C ZINC000491683640 488037603 /nfs/dbraw/zinc/03/76/03/488037603.db2.gz ACHGOFPRIBFMRA-SREVYHEPSA-N 0 3 214.309 0.647 20 0 BCADHN CCN(CC)CC(=O)NCc1cc(C)ncn1 ZINC000677462464 488040563 /nfs/dbraw/zinc/04/05/63/488040563.db2.gz NYWVAMGGKANRGQ-UHFFFAOYSA-N 0 3 236.319 0.743 20 0 BCADHN Cc1ccc(CNC(=O)C[C@@H]2CNCCO2)o1 ZINC000091311664 488041959 /nfs/dbraw/zinc/04/19/59/488041959.db2.gz JLJHMCKOYVGTNT-LLVKDONJSA-N 0 3 238.287 0.583 20 0 BCADHN OC[C@@H]1CCCN1Cc1cnc2n1CCC2 ZINC000667552468 488042596 /nfs/dbraw/zinc/04/25/96/488042596.db2.gz HWKPQEXXSPCTCC-JTQLQIEISA-N 0 3 221.304 0.786 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@@H](CC(N)=O)C1 ZINC000685474525 488043167 /nfs/dbraw/zinc/04/31/67/488043167.db2.gz AIYXXZYCTFHFMH-JTQLQIEISA-N 0 3 236.319 0.426 20 0 BCADHN CCCCCNC(=O)COC1(C)CNC1 ZINC000165822243 488044275 /nfs/dbraw/zinc/04/42/75/488044275.db2.gz OWEIFXCKHWYULM-UHFFFAOYSA-N 0 3 214.309 0.671 20 0 BCADHN CCn1nccc1CN1CC[C@@H](CC(N)=O)C1 ZINC000685475040 488044418 /nfs/dbraw/zinc/04/44/18/488044418.db2.gz SMSOMNGQRAIPRH-JTQLQIEISA-N 0 3 236.319 0.600 20 0 BCADHN C[C@@H](NC(=O)COC1(C)CNC1)C(C)(C)C ZINC000165828676 488044458 /nfs/dbraw/zinc/04/44/58/488044458.db2.gz IOJUGVWJYPBNJZ-SECBINFHSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@H]1C[C@H]1CNC(=O)COC1(C)CNC1 ZINC000165831048 488045315 /nfs/dbraw/zinc/04/53/15/488045315.db2.gz GGIKZZYRLDYFDF-IUCAKERBSA-N 0 3 212.293 0.137 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)COC1(C)CNC1 ZINC000165836639 488045629 /nfs/dbraw/zinc/04/56/29/488045629.db2.gz KVHNHFXXHODBEZ-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN CC[C@@H](C)[C@@H](C)NC(=O)COC1(C)CNC1 ZINC000165836251 488045698 /nfs/dbraw/zinc/04/56/98/488045698.db2.gz KVHNHFXXHODBEZ-NXEZZACHSA-N 0 3 228.336 0.916 20 0 BCADHN CN(C(=O)COC1(C)CNC1)C1CCC1 ZINC000165845793 488045924 /nfs/dbraw/zinc/04/59/24/488045924.db2.gz YCIHVOHFIAJLDH-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN CC1(OCC(=O)NC2CCSCC2)CNC1 ZINC000165839566 488045958 /nfs/dbraw/zinc/04/59/58/488045958.db2.gz ZLTHSFKUBPUVSW-UHFFFAOYSA-N 0 3 244.360 0.377 20 0 BCADHN NC[C@@H](NC(=O)c1ccon1)C(F)(F)F ZINC000401708560 488049873 /nfs/dbraw/zinc/04/98/73/488049873.db2.gz CNEXOXDZFXBQNV-RXMQYKEDSA-N 0 3 223.154 0.294 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CC2)CCN1C ZINC000669182875 488051121 /nfs/dbraw/zinc/05/11/21/488051121.db2.gz NQWQKLHPOVBESK-GHMZBOCLSA-N 0 3 239.363 0.680 20 0 BCADHN Cc1cc(C(=O)N[C@H](CN)C(F)(F)F)no1 ZINC000401713003 488052536 /nfs/dbraw/zinc/05/25/36/488052536.db2.gz JJOPSNOYUQRJBV-ZCFIWIBFSA-N 0 3 237.181 0.602 20 0 BCADHN Cc1cnc(NCCCN2CCN(C)CC2)nc1 ZINC000677503516 488054809 /nfs/dbraw/zinc/05/48/09/488054809.db2.gz HKYBXCCEKPBIII-UHFFFAOYSA-N 0 3 249.362 0.834 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CNCCO2)[C@@H](C)CO1 ZINC000221731982 488056046 /nfs/dbraw/zinc/05/60/46/488056046.db2.gz GNNGCVRRCAIGQZ-AXFHLTTASA-N 0 3 214.309 0.084 20 0 BCADHN O=C(CN[C@H]1C[C@@H](O)C12CCC2)N1CCCC1 ZINC000661830519 488057386 /nfs/dbraw/zinc/05/73/86/488057386.db2.gz JCBLMTQTZALLES-WDEREUQCSA-N 0 3 238.331 0.502 20 0 BCADHN CCCOCC(=O)N[C@H](CN)C(F)(F)F ZINC000401743375 488061047 /nfs/dbraw/zinc/06/10/47/488061047.db2.gz SRUIPVPIWVHRNJ-ZCFIWIBFSA-N 0 3 228.214 0.419 20 0 BCADHN CCOCCN1CCC[C@](CO)(OC)C1 ZINC000401770703 488065404 /nfs/dbraw/zinc/06/54/04/488065404.db2.gz JDWGMMOXMJXHBX-NSHDSACASA-N 0 3 217.309 0.496 20 0 BCADHN NC[C@H](NC(=O)NC1CCC1)C(F)(F)F ZINC000401788752 488067383 /nfs/dbraw/zinc/06/73/83/488067383.db2.gz BATUQVUYWPZJLS-LURJTMIESA-N 0 3 225.214 0.728 20 0 BCADHN C[C@H](CNC(=O)c1ccc(N)nc1)N(C)C1CC1 ZINC000221904733 488067073 /nfs/dbraw/zinc/06/70/73/488067073.db2.gz BQINAPCFWFXHRM-SECBINFHSA-N 0 3 248.330 0.876 20 0 BCADHN C[C@H](CNC(=O)c1cnco1)N1CCCC1 ZINC000677539470 488068123 /nfs/dbraw/zinc/06/81/23/488068123.db2.gz YGQLRCUFLOBXKR-SECBINFHSA-N 0 3 223.276 0.889 20 0 BCADHN COCCOC[C@@H]1CCN(Cc2cn[nH]c2)C1 ZINC000678284129 488067952 /nfs/dbraw/zinc/06/79/52/488067952.db2.gz VVALAPIILZSSTM-LLVKDONJSA-N 0 3 239.319 0.895 20 0 BCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cnco1 ZINC000677545658 488069129 /nfs/dbraw/zinc/06/91/29/488069129.db2.gz NYVURRXPLTXDCZ-SNVBAGLBSA-N 0 3 235.287 0.889 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000389040303 488072615 /nfs/dbraw/zinc/07/26/15/488072615.db2.gz QMXAQKKPXMMZPR-GUBZILKMSA-N 0 3 214.309 0.526 20 0 BCADHN COCC1(O)CCN([C@@H]2CCCOC2)CC1 ZINC000677564126 488074986 /nfs/dbraw/zinc/07/49/86/488074986.db2.gz XEODZUNWGYPOGO-LLVKDONJSA-N 0 3 229.320 0.639 20 0 BCADHN NC1(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)CCC1 ZINC000147957347 488076243 /nfs/dbraw/zinc/07/62/43/488076243.db2.gz FXYAHWXNCIBYBA-SNVBAGLBSA-N 0 3 248.330 0.997 20 0 BCADHN COc1ccc(CN[C@@H](CO)C2CCC2)nn1 ZINC000661151341 488079803 /nfs/dbraw/zinc/07/98/03/488079803.db2.gz ANWDYTQGGWABQY-NSHDSACASA-N 0 3 237.303 0.736 20 0 BCADHN CC1(C)CN(C(=O)C[C@H]2CCCO2)CCN1 ZINC000148067551 488080687 /nfs/dbraw/zinc/08/06/87/488080687.db2.gz CSBOLXKJNXGYKH-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CNC(=O)CCCN(C)Cc1cnc(C)n1C ZINC000667674303 488083214 /nfs/dbraw/zinc/08/32/14/488083214.db2.gz BVEJFUIEFYYUAX-UHFFFAOYSA-N 0 3 238.335 0.687 20 0 BCADHN CN1CCC[C@@H](NC(=O)CCCCO)C1 ZINC000092174669 488085569 /nfs/dbraw/zinc/08/55/69/488085569.db2.gz RIKIWCDHQRCNOX-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN CN1CC[C@H](c2nc([C@H]3CCCN3)no2)C1 ZINC000257902525 488091214 /nfs/dbraw/zinc/09/12/14/488091214.db2.gz DSYDGJAWSUGYPN-DTWKUNHWSA-N 0 3 222.292 0.913 20 0 BCADHN CN1CC[C@H](c2nc([C@@H]3CCCN3)no2)C1 ZINC000257902527 488091259 /nfs/dbraw/zinc/09/12/59/488091259.db2.gz DSYDGJAWSUGYPN-IUCAKERBSA-N 0 3 222.292 0.913 20 0 BCADHN CCCN(CCO)CC[C@@H]1CCS(=O)(=O)C1 ZINC000677675127 488091362 /nfs/dbraw/zinc/09/13/62/488091362.db2.gz COSVVDGCFMAJKK-LLVKDONJSA-N 0 3 249.376 0.516 20 0 BCADHN OCCOCCNCc1ccc(CO)cc1 ZINC000227574274 488091597 /nfs/dbraw/zinc/09/15/97/488091597.db2.gz FNWAPTGCGVGSJY-UHFFFAOYSA-N 0 3 225.288 0.277 20 0 BCADHN CN1CCC(Cc2nc(CN)no2)CC1 ZINC000257945854 488092594 /nfs/dbraw/zinc/09/25/94/488092594.db2.gz IILTVRQKYAEFEO-UHFFFAOYSA-N 0 3 210.281 0.413 20 0 BCADHN COCCNCC(=O)NC[C@@H]1Cc2ccccc21 ZINC000092495633 488096781 /nfs/dbraw/zinc/09/67/81/488096781.db2.gz GWJJTVUSVQIADO-LBPRGKRZSA-N 0 3 248.326 0.679 20 0 BCADHN CCO[C@H]1CCCN(C(=O)CNCCOC)C1 ZINC000092509727 488097129 /nfs/dbraw/zinc/09/71/29/488097129.db2.gz KKQILNKERPEYIR-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CCC1(NC(=O)CNCCOC)CCOCC1 ZINC000389455728 488097537 /nfs/dbraw/zinc/09/75/37/488097537.db2.gz JTKNOJOTLZUTAW-UHFFFAOYSA-N 0 3 244.335 0.298 20 0 BCADHN CCC1(NC(=O)CNC)CCOCC1 ZINC000389469126 488098635 /nfs/dbraw/zinc/09/86/35/488098635.db2.gz MLFQSVJEXZEPJU-UHFFFAOYSA-N 0 3 200.282 0.281 20 0 BCADHN CC[C@H](C(N)=O)N(C)C[C@@H]1CCCN1C ZINC000092665704 488099931 /nfs/dbraw/zinc/09/99/31/488099931.db2.gz ATUAKYPUXIZBBX-VHSXEESVSA-N 0 3 213.325 0.276 20 0 BCADHN COCCCNC(=O)CNC(C)(C)C(C)(C)O ZINC000229170386 488100300 /nfs/dbraw/zinc/10/03/00/488100300.db2.gz OYWBBMIXZBBDSC-UHFFFAOYSA-N 0 3 246.351 0.278 20 0 BCADHN CCC[C@H](N)c1cn([C@@H]2CCN(C)C2=O)nn1 ZINC000229963701 488104411 /nfs/dbraw/zinc/10/44/11/488104411.db2.gz CNOYMAINHNRZBC-WCBMZHEXSA-N 0 3 237.307 0.481 20 0 BCADHN COCC1(N(C)CCN2CCOCC2)CC1 ZINC000677728266 488104761 /nfs/dbraw/zinc/10/47/61/488104761.db2.gz DWQKDBRBJJLMDI-UHFFFAOYSA-N 0 3 228.336 0.429 20 0 BCADHN OCCOCCN1CC[C@H](C(F)F)C1 ZINC000677731847 488110231 /nfs/dbraw/zinc/11/02/31/488110231.db2.gz OUFBHXUISUMQEM-QMMMGPOBSA-N 0 3 209.236 0.582 20 0 BCADHN OCCOCCN1CC[C@@H](C(F)F)C1 ZINC000677731846 488110411 /nfs/dbraw/zinc/11/04/11/488110411.db2.gz OUFBHXUISUMQEM-MRVPVSSYSA-N 0 3 209.236 0.582 20 0 BCADHN O=C1NCCCC[C@@H]1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667778290 488119351 /nfs/dbraw/zinc/11/93/51/488119351.db2.gz ZKUUQSYZCWTJFH-SDDRHHMPSA-N 0 3 238.331 0.812 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCCN(C)C1)N(C)C ZINC000675783763 488122931 /nfs/dbraw/zinc/12/29/31/488122931.db2.gz AADBLRRBXKQZRJ-WDEREUQCSA-N 0 3 227.352 0.537 20 0 BCADHN CN1CCC[C@H](NC(=O)CCc2ccncn2)C1 ZINC000683173918 488123491 /nfs/dbraw/zinc/12/34/91/488123491.db2.gz SCBRURSBRLNNNC-LBPRGKRZSA-N 0 3 248.330 0.620 20 0 BCADHN C[C@H](NC(=O)c1cnccn1)C1=CCN(C)CC1 ZINC000272670200 518183170 /nfs/dbraw/zinc/18/31/70/518183170.db2.gz ITNVGMIBSNXURZ-JTQLQIEISA-N 0 3 246.314 0.857 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@H]2CSCN2)CCN1 ZINC000669514983 488125246 /nfs/dbraw/zinc/12/52/46/488125246.db2.gz ZDHDTGYPGMIMSD-ZJUUUORDSA-N 0 3 243.376 0.105 20 0 BCADHN CCn1nccc1CNC1([C@@H](C)O)CC1 ZINC000668698262 488127915 /nfs/dbraw/zinc/12/79/15/488127915.db2.gz YRVAVQKYMZPIBO-SECBINFHSA-N 0 3 209.293 0.906 20 0 BCADHN Cc1ncc(CNC2([C@H](C)O)CC2)n1C ZINC000668699334 488130460 /nfs/dbraw/zinc/13/04/60/488130460.db2.gz ATGAHQSPOJSEAT-QMMMGPOBSA-N 0 3 209.293 0.732 20 0 BCADHN Cc1ncc(CNC2([C@@H](C)O)CC2)n1C ZINC000668699333 488130615 /nfs/dbraw/zinc/13/06/15/488130615.db2.gz ATGAHQSPOJSEAT-MRVPVSSYSA-N 0 3 209.293 0.732 20 0 BCADHN CC(C)NCC(=O)NC[C@@]1(C)CCOC1 ZINC000397199854 487540867 /nfs/dbraw/zinc/54/08/67/487540867.db2.gz PMGZVRATKNAEKX-LLVKDONJSA-N 0 3 214.309 0.527 20 0 BCADHN CN1CCCN(C(=O)c2ccc(CN)o2)CC1 ZINC000094564843 487541923 /nfs/dbraw/zinc/54/19/23/487541923.db2.gz GCIKSQXGWQJBNJ-UHFFFAOYSA-N 0 3 237.303 0.516 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000382424681 487542708 /nfs/dbraw/zinc/54/27/08/487542708.db2.gz XTKLSDXHDIRJAZ-JLIMGVALSA-N 0 3 233.333 0.329 20 0 BCADHN CC(C)[C@H](N)c1cn(C[C@@H]2CCOC2)nn1 ZINC000300871724 487542796 /nfs/dbraw/zinc/54/27/96/487542796.db2.gz HQXSBAICOLCKDV-ONGXEEELSA-N 0 3 224.308 0.970 20 0 BCADHN C[C@@H](CO)CN1CCN(c2ccncc2)CC1 ZINC000121223242 490079570 /nfs/dbraw/zinc/07/95/70/490079570.db2.gz SXPAQFVATODHLQ-GFCCVEGCSA-N 0 3 235.331 0.832 20 0 BCADHN C[C@@H](C(=O)N[C@@H]1CCN(C)[C@H](C)C1)N(C)C ZINC000674288564 487544478 /nfs/dbraw/zinc/54/44/78/487544478.db2.gz GHEKWEWLIBUUKE-OUAUKWLOSA-N 0 3 227.352 0.535 20 0 BCADHN C[C@@H](C(=O)N1C[C@H](C)N[C@@H](C)C1)N(C)C ZINC000154132492 487530185 /nfs/dbraw/zinc/53/01/85/487530185.db2.gz UIURYZPBPUXVLX-GUBZILKMSA-N 0 3 213.325 0.145 20 0 BCADHN C[C@H](CO)CN(CCO)Cc1cccnc1 ZINC000121232778 490080581 /nfs/dbraw/zinc/08/05/81/490080581.db2.gz HIUCNPJOAUAOPO-NSHDSACASA-N 0 3 224.304 0.504 20 0 BCADHN C[C@@H](C(=O)N(C)[C@H]1CCN(C)C[C@H]1C)N(C)C ZINC000674288455 487549783 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GCKYEZAGNCKRRB-NEPJUHHUSA-N 0 3 229.320 0.661 20 0 BCADHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cn[nH]c1 ZINC000678145960 488207367 /nfs/dbraw/zinc/20/73/67/488207367.db2.gz QNCHPLWOHQKOCB-WCBMZHEXSA-N 0 3 222.292 0.496 20 0 BCADHN CCN(C[C@@H]1CNCCO1)CC(F)(F)F ZINC000043803000 488209868 /nfs/dbraw/zinc/20/98/68/488209868.db2.gz SPBWOZWXUOWPOF-QMMMGPOBSA-N 0 3 226.242 0.859 20 0 BCADHN C[C@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC000678171748 488211053 /nfs/dbraw/zinc/21/10/53/488211053.db2.gz KNNRGROJKZRHNT-GXSJLCMTSA-N 0 3 222.288 0.198 20 0 BCADHN COC[C@H](C)NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000668164866 488212579 /nfs/dbraw/zinc/21/25/79/488212579.db2.gz DPEAZOSINWQHSI-LPEHRKFASA-N 0 3 229.324 0.413 20 0 BCADHN C[C@@H]1C[C@@H](CO)CN(Cc2cn[nH]c2)C1 ZINC000398639417 488220667 /nfs/dbraw/zinc/22/06/67/488220667.db2.gz VYTPSRRTFIKEMX-NXEZZACHSA-N 0 3 209.293 0.860 20 0 BCADHN Cc1cn(C)nc1NC(=O)NC[C@H](C)N(C)C ZINC000668202380 488222670 /nfs/dbraw/zinc/22/26/70/488222670.db2.gz ZBXUMPUGWKZWAS-VIFPVBQESA-N 0 3 239.323 0.800 20 0 BCADHN NCc1cccc(NC(=O)CCn2cncn2)c1 ZINC000019256786 488225566 /nfs/dbraw/zinc/22/55/66/488225566.db2.gz PGTGHTJFWDAWBJ-UHFFFAOYSA-N 0 3 245.286 0.766 20 0 BCADHN CN1CCC[C@@H](NC(=O)NCCCCO)C1 ZINC000683822139 488226219 /nfs/dbraw/zinc/22/62/19/488226219.db2.gz LRPKGOBPRLPALO-SNVBAGLBSA-N 0 3 229.324 0.152 20 0 BCADHN CC1(CN(CCO)CCN2CCOCC2)CC1 ZINC000683827390 488227798 /nfs/dbraw/zinc/22/77/98/488227798.db2.gz VGNNLRMTSKZQHI-UHFFFAOYSA-N 0 3 242.363 0.413 20 0 BCADHN CCN1CCN(Cc2cn[nH]c2)C[C@H]1C ZINC000678261803 488228259 /nfs/dbraw/zinc/22/82/59/488228259.db2.gz UHBJIASRTOFEMI-SNVBAGLBSA-N 0 3 208.309 0.936 20 0 BCADHN NC(=O)CCC1CCN(Cc2cn[nH]c2)CC1 ZINC000678273021 488233634 /nfs/dbraw/zinc/23/36/34/488233634.db2.gz HLLZJFBDCQCICV-UHFFFAOYSA-N 0 3 236.319 0.887 20 0 BCADHN c1cc(CN2CCc3cn[nH]c3C2)n[nH]1 ZINC000678275867 488235554 /nfs/dbraw/zinc/23/55/54/488235554.db2.gz HWQSSFSSWLMPCG-UHFFFAOYSA-N 0 3 203.249 0.691 20 0 BCADHN Cc1ccc(O)c(CN2C[C@H](O)C[C@H](O)C2)n1 ZINC000678296864 488237973 /nfs/dbraw/zinc/23/79/73/488237973.db2.gz CRKXKELHXGHXOG-AOOOYVTPSA-N 0 3 238.287 0.023 20 0 BCADHN O[C@@H]1C[C@H](O)CN(Cc2ccc3[nH]cnc3c2)C1 ZINC000678298494 488238640 /nfs/dbraw/zinc/23/86/40/488238640.db2.gz SZYGQUYUGYMIQT-PHIMTYICSA-N 0 3 247.298 0.490 20 0 BCADHN O[C@@H]1C[C@H](O)CN(Cc2ccc3nc[nH]c3c2)C1 ZINC000678298494 488238643 /nfs/dbraw/zinc/23/86/43/488238643.db2.gz SZYGQUYUGYMIQT-PHIMTYICSA-N 0 3 247.298 0.490 20 0 BCADHN CC(C)CC(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000683913024 488243680 /nfs/dbraw/zinc/24/36/80/488243680.db2.gz PIZXMYHSPVWSOX-ZDUSSCGKSA-N 0 3 242.363 0.948 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC(=O)N2)n1 ZINC000683932526 488247305 /nfs/dbraw/zinc/24/73/05/488247305.db2.gz MILYJRBOYBCARG-JTQLQIEISA-N 0 3 249.314 0.854 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H](CO)CC1CC1)N(C)C ZINC000678383532 488249153 /nfs/dbraw/zinc/24/91/53/488249153.db2.gz LZPUYTFCHYENAY-NWDGAFQWSA-N 0 3 242.363 0.850 20 0 BCADHN C[C@@H](CN(C)C)Nc1cncc(-n2cncn2)n1 ZINC000672344895 488253024 /nfs/dbraw/zinc/25/30/24/488253024.db2.gz ILQCNDTVMLLYHF-VIFPVBQESA-N 0 3 247.306 0.419 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H](C)OCC1CC1 ZINC000672516998 488258154 /nfs/dbraw/zinc/25/81/54/488258154.db2.gz YVUJZBUKEQFQGR-UWVGGRQHSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H]1[C@H](C)N(CCn2ccccc2=O)CCN1C ZINC000678469853 488258534 /nfs/dbraw/zinc/25/85/34/488258534.db2.gz PAGJQEGSSLWVLG-OLZOCXBDSA-N 0 3 249.358 0.873 20 0 BCADHN C[C@@H](NCCc1nnnn1C)c1ccncc1 ZINC000678477608 488259279 /nfs/dbraw/zinc/25/92/79/488259279.db2.gz BRIWUJSDQAJQBV-SECBINFHSA-N 0 3 232.291 0.498 20 0 BCADHN Cc1ccc(CNCCc2nnnn2C)nc1 ZINC000678498729 488262653 /nfs/dbraw/zinc/26/26/53/488262653.db2.gz ASPMDEPNUMZCFG-UHFFFAOYSA-N 0 3 232.291 0.246 20 0 BCADHN Cc1cc(F)ccc1CNCCc1nnnn1C ZINC000678498670 488262722 /nfs/dbraw/zinc/26/27/22/488262722.db2.gz LCBQYFLNYCYKFG-UHFFFAOYSA-N 0 3 249.293 0.990 20 0 BCADHN Cc1cc(CNCCc2nnnn2C)ccc1F ZINC000678499660 488263191 /nfs/dbraw/zinc/26/31/91/488263191.db2.gz UZTNSPGHSZSHPA-UHFFFAOYSA-N 0 3 249.293 0.990 20 0 BCADHN CC(C(=O)N1CC(C)(C)C1)S(C)(=O)=O ZINC000684085724 488263477 /nfs/dbraw/zinc/26/34/77/488263477.db2.gz SQIVNKWHPWMXNO-SSDOTTSWSA-N 0 3 219.306 0.288 20 0 BCADHN CCOCCN(C)Cc1ccn(C)c(=O)c1 ZINC000678536708 488264954 /nfs/dbraw/zinc/26/49/54/488264954.db2.gz OLSBYMHEXFBQPZ-UHFFFAOYSA-N 0 3 224.304 0.854 20 0 BCADHN Cc1cc(=O)[n-]c([C@H](C)N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000684089343 488265521 /nfs/dbraw/zinc/26/55/21/488265521.db2.gz UHROVXPYLOXRRV-GARJFASQSA-N 0 3 248.330 0.703 20 0 BCADHN Cn1cncc1CC(=O)N[C@H]1CCCN(C)C1 ZINC000672770112 488265792 /nfs/dbraw/zinc/26/57/92/488265792.db2.gz YJTAXRZEEQFUQX-JTQLQIEISA-N 0 3 236.319 0.173 20 0 BCADHN CCn1cnnc1CCN[C@@H](C)c1cnn(C)c1 ZINC000678587416 488268833 /nfs/dbraw/zinc/26/88/33/488268833.db2.gz JRGJNPMYUZNZBS-JTQLQIEISA-N 0 3 248.334 0.925 20 0 BCADHN COCC[C@@H](C)N1CCN([C@H]2CCOC2)CC1 ZINC000678625702 488273976 /nfs/dbraw/zinc/27/39/76/488273976.db2.gz BQWBCWDYHLMXTR-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN COCC[C@@H](C)N1CCN([C@@H]2CCOC2)CC1 ZINC000678625700 488274027 /nfs/dbraw/zinc/27/40/27/488274027.db2.gz BQWBCWDYHLMXTR-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN CCN(CCO)CCNC(=O)N[C@@H]1C[C@H]1C ZINC000673079994 488275152 /nfs/dbraw/zinc/27/51/52/488275152.db2.gz MJHZALGUPQCNQP-NXEZZACHSA-N 0 3 229.324 0.008 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)N1CCCN(C)CC1 ZINC000673080011 488275162 /nfs/dbraw/zinc/27/51/62/488275162.db2.gz JLGLVIFOBKUUHD-NXEZZACHSA-N 0 3 211.309 0.742 20 0 BCADHN C[C@H]1C[C@H](C)N1CCN1C(=O)CCC1=O ZINC000684207888 488276642 /nfs/dbraw/zinc/27/66/42/488276642.db2.gz BYUZMFPGSWMVAX-IUCAKERBSA-N 0 3 210.277 0.618 20 0 BCADHN CNC(=O)c1cccnc1NCCN1CCCC1 ZINC000678710610 488276954 /nfs/dbraw/zinc/27/69/54/488276954.db2.gz APXZAXSBIFQTRH-UHFFFAOYSA-N 0 3 248.330 0.949 20 0 BCADHN CN(C)C1CN(c2cc(-n3ccnc3)ncn2)C1 ZINC000678822446 488287911 /nfs/dbraw/zinc/28/79/11/488287911.db2.gz FNJCAMKJAHUPIH-UHFFFAOYSA-N 0 3 244.302 0.413 20 0 BCADHN CC(C)CC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673518155 488292207 /nfs/dbraw/zinc/29/22/07/488292207.db2.gz SFGRKXRPCARPGB-NEPJUHHUSA-N 0 3 240.347 0.700 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C[C@@H]1C=CCC1 ZINC000673521439 488292694 /nfs/dbraw/zinc/29/26/94/488292694.db2.gz BSVIIVLZPGLNAP-GHMZBOCLSA-N 0 3 226.320 0.381 20 0 BCADHN CCCC(=O)N[C@@H](CO)CN1CCCC1 ZINC000673529748 488294193 /nfs/dbraw/zinc/29/41/93/488294193.db2.gz BWBSHNSSBPTXDX-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN O=C(N[C@@H](CO)CN1CCCC1)c1ccccc1 ZINC000673529751 488294210 /nfs/dbraw/zinc/29/42/10/488294210.db2.gz BPQYQEDAFPCWQU-CYBMUJFWSA-N 0 3 248.326 0.873 20 0 BCADHN O=C(N[C@H](CO)CN1CCCC1)c1ccccc1 ZINC000673529753 488294220 /nfs/dbraw/zinc/29/42/20/488294220.db2.gz BPQYQEDAFPCWQU-ZDUSSCGKSA-N 0 3 248.326 0.873 20 0 BCADHN OC[C@@H](CNCc1cn[nH]c1)c1cccnc1 ZINC000673616321 488298427 /nfs/dbraw/zinc/29/84/27/488298427.db2.gz FYVZTGRCFNYXRS-GFCCVEGCSA-N 0 3 232.287 0.670 20 0 BCADHN C[C@H](CNC(=O)CCn1cccc1)N(C)C ZINC000673636986 488299482 /nfs/dbraw/zinc/29/94/82/488299482.db2.gz DCWROHPUIRLNMB-LLVKDONJSA-N 0 3 223.320 0.945 20 0 BCADHN O[C@H](COC[C@H]1CCCO1)CN1CC=CCC1 ZINC000679323062 488336465 /nfs/dbraw/zinc/33/64/65/488336465.db2.gz HONDDVNNDPAYAP-QWHCGFSZSA-N 0 3 241.331 0.805 20 0 BCADHN CC(C)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000679067908 488305425 /nfs/dbraw/zinc/30/54/25/488305425.db2.gz VMSALCXVMFIGRP-MWLCHTKSSA-N 0 3 236.319 0.912 20 0 BCADHN COC[C@@H](CO)NCc1ccc2[nH]cnc2c1 ZINC000684425163 488311409 /nfs/dbraw/zinc/31/14/09/488311409.db2.gz NISYFTWBGHXFKR-SNVBAGLBSA-N 0 3 235.287 0.660 20 0 BCADHN COC[C@@H](CO)NCc1ccc2nc[nH]c2c1 ZINC000684425163 488311412 /nfs/dbraw/zinc/31/14/12/488311412.db2.gz NISYFTWBGHXFKR-SNVBAGLBSA-N 0 3 235.287 0.660 20 0 BCADHN CN1CCC[C@H](NC(=O)CCc2cnccn2)C1 ZINC000684432819 488312534 /nfs/dbraw/zinc/31/25/34/488312534.db2.gz MVPKSJNXOVDKCH-LBPRGKRZSA-N 0 3 248.330 0.620 20 0 BCADHN CCC(O)(CC)CN(C)[C@@H](C)C(N)=O ZINC000679151039 488313627 /nfs/dbraw/zinc/31/36/27/488313627.db2.gz LKOQMBLBBFINOV-QMMMGPOBSA-N 0 3 202.298 0.343 20 0 BCADHN CN(C)C(=O)NCCN(C)[C@H]1CCCOC1 ZINC000679151260 488313644 /nfs/dbraw/zinc/31/36/44/488313644.db2.gz NWLVUIODPSRIGY-JTQLQIEISA-N 0 3 229.324 0.368 20 0 BCADHN C[C@@](O)(CO)CNCc1cnc2ccccn12 ZINC000684539073 488326722 /nfs/dbraw/zinc/32/67/22/488326722.db2.gz RTQIDFUUQCCFAH-LBPRGKRZSA-N 0 3 235.287 0.167 20 0 BCADHN Cn1cnc2cc(CNC[C@@](C)(O)CO)ccc21 ZINC000684536798 488326892 /nfs/dbraw/zinc/32/68/92/488326892.db2.gz UPXIRXSAADFKSP-CYBMUJFWSA-N 0 3 249.314 0.406 20 0 BCADHN C[C@](O)(CO)CNCC1=Cc2ccccc2OC1 ZINC000684539380 488326918 /nfs/dbraw/zinc/32/69/18/488326918.db2.gz ZTHQTEMNLYLPBT-CQSZACIVSA-N 0 3 249.310 0.795 20 0 BCADHN C[C@](O)(CO)CNCc1cnc2ccccn12 ZINC000684539070 488326949 /nfs/dbraw/zinc/32/69/49/488326949.db2.gz RTQIDFUUQCCFAH-GFCCVEGCSA-N 0 3 235.287 0.167 20 0 BCADHN c1ncc(CN2CCN([C@H]3CCOC3)CC2)[nH]1 ZINC000684619614 488333069 /nfs/dbraw/zinc/33/30/69/488333069.db2.gz HAEHRBDXXSVIGB-LBPRGKRZSA-N 0 3 236.319 0.316 20 0 BCADHN CN1CCC[C@H](N2CCC[C@H](O)C2)C1=O ZINC000679311648 488334240 /nfs/dbraw/zinc/33/42/40/488334240.db2.gz NGFKOSYMVOUSII-UWVGGRQHSA-N 0 3 212.293 0.064 20 0 BCADHN CN1CCC[C@H](N2CC[C@]3(CCOC3)C2)C1=O ZINC000679318126 488334388 /nfs/dbraw/zinc/33/43/88/488334388.db2.gz BQIYNYUNRIKSSZ-AAEUAGOBSA-N 0 3 238.331 0.720 20 0 BCADHN CNC(=O)[C@]1(C)CCN(Cc2cn[nH]c2)C1 ZINC000684680216 488338945 /nfs/dbraw/zinc/33/89/45/488338945.db2.gz WVWVRXZDEYHOHL-LLVKDONJSA-N 0 3 222.292 0.368 20 0 BCADHN CCNC(=O)CN(C)C[C@@H]1CCO[C@@H](C)C1 ZINC000679328725 488339721 /nfs/dbraw/zinc/33/97/21/488339721.db2.gz JSIMQKARDGVCIE-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN COc1cccnc1CC(=O)NCCN(C)C ZINC000684828590 488347128 /nfs/dbraw/zinc/34/71/28/488347128.db2.gz OYYWVJJGPYCCGZ-UHFFFAOYSA-N 0 3 237.303 0.311 20 0 BCADHN CCCCCN(C)CC(=O)N1CCN(C)CC1 ZINC000679371971 488348156 /nfs/dbraw/zinc/34/81/56/488348156.db2.gz MHJHQGGFCNZMOW-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN COCC[C@@H](CO)NCc1cnc2ccccn12 ZINC000684932493 488353601 /nfs/dbraw/zinc/35/36/01/488353601.db2.gz VRBLQPLUJRXUCS-NSHDSACASA-N 0 3 249.314 0.821 20 0 BCADHN C[C@H](NCC1=CCCOC1)[C@@H]1CN(C)CCO1 ZINC000129282549 490051423 /nfs/dbraw/zinc/05/14/23/490051423.db2.gz LLDPFFUWYYPLHQ-AAEUAGOBSA-N 0 3 240.347 0.642 20 0 BCADHN C[C@@H](NCc1cncn1C)[C@H]1CN(C)CCO1 ZINC000129284122 490053580 /nfs/dbraw/zinc/05/35/80/490053580.db2.gz HGDFOFKQXQHACL-ZYHUDNBSSA-N 0 3 238.335 0.229 20 0 BCADHN C[C@H](CO)CN1CCC(N2CCNC2=O)CC1 ZINC000120671389 490066630 /nfs/dbraw/zinc/06/66/30/490066630.db2.gz OGUDECPHVINEHR-JTQLQIEISA-N 0 3 241.335 0.104 20 0 BCADHN CCCNC(=O)CN(CCC)C[C@@H](C)CO ZINC000120673153 490066734 /nfs/dbraw/zinc/06/67/34/490066734.db2.gz WPMSWQHGOXSMHJ-LLVKDONJSA-N 0 3 230.352 0.853 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)[C@@H]1CCC[C@H]1O ZINC000352659682 490098979 /nfs/dbraw/zinc/09/89/79/490098979.db2.gz KMIYNEAXKGHRAY-OPRDCNLKSA-N 0 3 214.309 0.308 20 0 BCADHN O=C1CC[C@@H](CN2CCCC[C@H]2CO)N1 ZINC000300330896 490113622 /nfs/dbraw/zinc/11/36/22/490113622.db2.gz AIIHQYBKFFMCTD-UWVGGRQHSA-N 0 3 212.293 0.112 20 0 BCADHN NC(=O)c1cccc(CNC[C@@H]2CCC(=O)N2)c1 ZINC000079927492 490127179 /nfs/dbraw/zinc/12/71/79/490127179.db2.gz OVCRGTBCTICVGN-NSHDSACASA-N 0 3 247.298 0.154 20 0 BCADHN O=C(N[C@@H]1CCOC1)[C@@H]1CNCc2ccccc21 ZINC000131417309 490132134 /nfs/dbraw/zinc/13/21/34/490132134.db2.gz VWEJNDLABLQDJZ-DGCLKSJQSA-N 0 3 246.310 0.779 20 0 BCADHN CC1(C)[C@@H](O)C[C@@H]1NCCn1ccccc1=O ZINC000129547213 490151349 /nfs/dbraw/zinc/15/13/49/490151349.db2.gz YJIPHLISEXKYBJ-QWRGUYRKSA-N 0 3 236.315 0.597 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@H]1COC ZINC000121807192 490163839 /nfs/dbraw/zinc/16/38/39/490163839.db2.gz PLCPBRBUOFWXHS-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN Cc1nccnc1[C@H](C)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652259806 490176486 /nfs/dbraw/zinc/17/64/86/490176486.db2.gz WWQVKYOZCDXRSD-LPEHRKFASA-N 0 3 234.303 0.700 20 0 BCADHN CCNC(=O)CN[C@@H]1CCO[C@H](C)C1 ZINC000069861731 490189843 /nfs/dbraw/zinc/18/98/43/490189843.db2.gz WSKVIVXYBGUWEP-RKDXNWHRSA-N 0 3 200.282 0.280 20 0 BCADHN COCCOCCN1CCC[C@@H](CCO)C1 ZINC000070029823 490198502 /nfs/dbraw/zinc/19/85/02/490198502.db2.gz LXTXKAFSVIYKJA-LBPRGKRZSA-N 0 3 231.336 0.744 20 0 BCADHN CCCCCN1CCN(CCN(C)C)C(=O)C1 ZINC000649686072 490200377 /nfs/dbraw/zinc/20/03/77/490200377.db2.gz XJXBAZUPAVWEBN-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN O=C(NCCCO)[C@H](C1CC1)N1CCCC1 ZINC000123266402 490211006 /nfs/dbraw/zinc/21/10/06/490211006.db2.gz VKDNCKVOGYBPJN-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN COCC1CCN(C[C@@H]2CNCCO2)CC1 ZINC000070650904 490230135 /nfs/dbraw/zinc/23/01/35/490230135.db2.gz IIVKUPGYJBOMHB-LBPRGKRZSA-N 0 3 228.336 0.333 20 0 BCADHN Cc1cc(NCCc2nc[nH]n2)nc(C)n1 ZINC000070646477 490230184 /nfs/dbraw/zinc/23/01/84/490230184.db2.gz SUHHMMVXQIAEAD-UHFFFAOYSA-N 0 3 218.264 0.866 20 0 BCADHN C[C@H](Cn1cccn1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000123445721 490236541 /nfs/dbraw/zinc/23/65/41/490236541.db2.gz FJFQVGUMNWTTOY-MNOVXSKESA-N 0 3 248.330 0.625 20 0 BCADHN COCC[C@H](C)NC(=O)[C@H](N)CC(C)C ZINC000081711258 490242222 /nfs/dbraw/zinc/24/22/22/490242222.db2.gz CHGUCZLHOAKCSS-VHSXEESVSA-N 0 3 216.325 0.901 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@@H]1CCCOC1 ZINC000071013507 490252538 /nfs/dbraw/zinc/25/25/38/490252538.db2.gz SOQBAQGZAJSREW-RKDXNWHRSA-N 0 3 200.282 0.280 20 0 BCADHN COCCN1CCN([C@@H]2CCO[C@H](C)C2)CC1 ZINC000659835557 490258425 /nfs/dbraw/zinc/25/84/25/490258425.db2.gz LAEBVURBMCKDKU-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN Cn1nnc2c1CC[C@H](NCc1cc[nH]n1)C2 ZINC000655843080 490260411 /nfs/dbraw/zinc/26/04/11/490260411.db2.gz RFSUINHYIHQIIM-QMMMGPOBSA-N 0 3 232.291 0.185 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@H](N)CC(F)F ZINC000336712843 490270701 /nfs/dbraw/zinc/27/07/01/490270701.db2.gz VEAXTUXHALESDY-NKWVEPMBSA-N 0 3 224.251 0.198 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)[NH3+])o1 ZINC000389885648 490273741 /nfs/dbraw/zinc/27/37/41/490273741.db2.gz RESGLSQZJKPHSZ-ZCFIWIBFSA-N 0 3 218.278 0.214 20 0 BCADHN CNCC(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000082256386 490275750 /nfs/dbraw/zinc/27/57/50/490275750.db2.gz LGWXQQROKXYZJX-ZCFIWIBFSA-N 0 3 242.304 0.548 20 0 BCADHN C[C@H](NCCO)c1ccc2c(c1)CC(=O)N2C ZINC000268757954 490280018 /nfs/dbraw/zinc/28/00/18/490280018.db2.gz YNQCHTWXIKZRHF-VIFPVBQESA-N 0 3 234.299 0.848 20 0 BCADHN CC[C@@H](C)N1CC[C@H](S(=O)(=O)NC)C1 ZINC000558607495 490281350 /nfs/dbraw/zinc/28/13/50/490281350.db2.gz FYMMLZAKGSBEQA-BDAKNGLRSA-N 0 3 220.338 0.408 20 0 BCADHN CC[C@H](C)N1CC[C@H](S(=O)(=O)NC)C1 ZINC000558607497 490281494 /nfs/dbraw/zinc/28/14/94/490281494.db2.gz FYMMLZAKGSBEQA-IUCAKERBSA-N 0 3 220.338 0.408 20 0 BCADHN Cn1nnnc1CCN[C@H]1CCCn2nccc21 ZINC000657909455 490295843 /nfs/dbraw/zinc/29/58/43/490295843.db2.gz MAMLTEWQFCMDOM-VIFPVBQESA-N 0 3 247.306 0.074 20 0 BCADHN CC[C@@H]1CC[C@@H]1N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000668505829 490341501 /nfs/dbraw/zinc/34/15/01/490341501.db2.gz DGSMBSLKTFOTDX-LMLFDSFASA-N 0 3 247.360 0.577 20 0 BCADHN O=C(N[C@@H]1CCOC1)c1cccc2c1CCNC2 ZINC000124367441 490356050 /nfs/dbraw/zinc/35/60/50/490356050.db2.gz VMITXBJMMVLLOK-LLVKDONJSA-N 0 3 246.310 0.851 20 0 BCADHN CO[C@H](C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000134515614 490361697 /nfs/dbraw/zinc/36/16/97/490361697.db2.gz IHWXVBBRHYZKBG-SECBINFHSA-N 0 3 234.299 0.941 20 0 BCADHN CC[C@@H](N)c1cn(Cc2noc(C3CC3)n2)nn1 ZINC000229950131 490369678 /nfs/dbraw/zinc/36/96/78/490369678.db2.gz TUPCYTJQJIKGCA-MRVPVSSYSA-N 0 3 248.290 0.997 20 0 BCADHN CC[C@H](N)c1cn(CCn2cccn2)nn1 ZINC000229950032 490369928 /nfs/dbraw/zinc/36/99/28/490369928.db2.gz AZGPGRZKBMTPEG-VIFPVBQESA-N 0 3 220.280 0.585 20 0 BCADHN CC[C@H](C(N)=O)n1cc([C@@H](N)CC)nn1 ZINC000229951369 490370288 /nfs/dbraw/zinc/37/02/88/490370288.db2.gz UAPRBOGCYRAZBO-POYBYMJQSA-N 0 3 211.269 0.124 20 0 BCADHN CN(CCOC[C@@H]1CCCO1)C[C@@H](O)C1CC1 ZINC000304787255 490386445 /nfs/dbraw/zinc/38/64/45/490386445.db2.gz PKWLIYMFMYYWJR-QWHCGFSZSA-N 0 3 243.347 0.885 20 0 BCADHN CC[C@H](COC)N[C@H]1CS(=O)(=O)C[C@H]1C ZINC000348154305 490393473 /nfs/dbraw/zinc/39/34/73/490393473.db2.gz AOQFELMBZPIPPN-BBBLOLIVSA-N 0 3 235.349 0.434 20 0 BCADHN COC1CCN(CCNC(=O)C(C)C)CC1 ZINC000079685189 490457384 /nfs/dbraw/zinc/45/73/84/490457384.db2.gz NDMXIZWZDYSNPZ-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN CN(Cc1ccc(C(N)=O)cc1)C[C@H](O)C1CC1 ZINC000079767985 490462720 /nfs/dbraw/zinc/46/27/20/490462720.db2.gz GSBDGCYMIXMMEU-ZDUSSCGKSA-N 0 3 248.326 0.988 20 0 BCADHN C[C@@H](O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000305719977 490472032 /nfs/dbraw/zinc/47/20/32/490472032.db2.gz OTIIRWKLWMAMFU-SNVBAGLBSA-N 0 3 235.287 0.111 20 0 BCADHN CCC(CC)[C@@H](O)CNC(=O)C(C)(C)N ZINC000225459548 490512551 /nfs/dbraw/zinc/51/25/51/490512551.db2.gz QHDRIDJFSGUIIN-VIFPVBQESA-N 0 3 216.325 0.637 20 0 BCADHN CC[C@@H](O)CN[C@H](C(=O)N1CCCC1)C(C)C ZINC000305787776 490610126 /nfs/dbraw/zinc/61/01/26/490610126.db2.gz YUTZXIPZJPOXAU-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CCCc1cc(C(=O)N(C)CCN(C)C)[nH]n1 ZINC000080394557 490635737 /nfs/dbraw/zinc/63/57/37/490635737.db2.gz RTHFKAAVVVKYFA-UHFFFAOYSA-N 0 3 238.335 0.996 20 0 BCADHN CC[C@@H](C(=O)NCCn1cc(C)cn1)N(C)C ZINC000152597695 490665735 /nfs/dbraw/zinc/66/57/35/490665735.db2.gz IBUAGXVDCYYDGA-NSHDSACASA-N 0 3 238.335 0.648 20 0 BCADHN CC(C)(O)CN1CCN([C@@H]2CCCOC2)CC1 ZINC000227080365 491054844 /nfs/dbraw/zinc/05/48/44/491054844.db2.gz SCDGKCXSWLQRBC-GFCCVEGCSA-N 0 3 242.363 0.554 20 0 BCADHN Cc1ncc(CNC[C@H](C)N(C)C)n1C ZINC000568415924 491116795 /nfs/dbraw/zinc/11/67/95/491116795.db2.gz HXMPJBUTPQJCEA-VIFPVBQESA-N 0 3 210.325 0.768 20 0 BCADHN Cc1ccc(CN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cn1 ZINC000653744749 491078540 /nfs/dbraw/zinc/07/85/40/491078540.db2.gz PAJIHCYALBKQRU-PHIMTYICSA-N 0 3 245.282 0.094 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1ccon1 ZINC000237613980 491072049 /nfs/dbraw/zinc/07/20/49/491072049.db2.gz WFQLMOGZYXXKNC-DTWKUNHWSA-N 0 3 223.276 0.426 20 0 BCADHN NCC(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000655494945 491052777 /nfs/dbraw/zinc/05/27/77/491052777.db2.gz IRROUZLZMAXRQE-SNVBAGLBSA-N 0 3 212.293 0.505 20 0 BCADHN Cc1c(CN2CC[C@@]3(O)C[C@H]3C2)cnn1C ZINC000661716794 491086140 /nfs/dbraw/zinc/08/61/40/491086140.db2.gz FIQJHRQBAVVOMP-NWDGAFQWSA-N 0 3 221.304 0.685 20 0 BCADHN CCC(CC)NC(=O)COC1(C)CNC1 ZINC000163077411 491087066 /nfs/dbraw/zinc/08/70/66/491087066.db2.gz CMWWSJVGPTYTAT-UHFFFAOYSA-N 0 3 214.309 0.670 20 0 BCADHN CC(C)[C@@H](C(=O)N(C)C[C@H](O)C1CC1)N(C)C ZINC000087557950 491090272 /nfs/dbraw/zinc/09/02/72/491090272.db2.gz FGFGSKOMNDWZBP-RYUDHWBXSA-N 0 3 242.363 0.802 20 0 BCADHN CC[C@H](C)N1CCN(CCN(C)C)C(=O)C1 ZINC000649685695 491090510 /nfs/dbraw/zinc/09/05/10/491090510.db2.gz IYWBNNSVPRUICU-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN Cc1noc(CCNC(=O)C2(N)CCCC2)n1 ZINC000225409914 491094451 /nfs/dbraw/zinc/09/44/51/491094451.db2.gz OWGRALUUGZUYBX-UHFFFAOYSA-N 0 3 238.291 0.308 20 0 BCADHN CCn1cc(CC(=O)N2CCN3CC[C@H]2C3)cn1 ZINC000615569902 491095353 /nfs/dbraw/zinc/09/53/53/491095353.db2.gz XLEFISIQPHEBDB-LBPRGKRZSA-N 0 3 248.330 0.362 20 0 BCADHN CN(C)CCNc1cc(-n2ccnc2)ncn1 ZINC000090998084 491099123 /nfs/dbraw/zinc/09/91/23/491099123.db2.gz GEABKZYMXUPHCA-UHFFFAOYSA-N 0 3 232.291 0.636 20 0 BCADHN C[C@H](CCCO)NC(=O)N[C@H]1CCCN(C)C1 ZINC000088505869 491103805 /nfs/dbraw/zinc/10/38/05/491103805.db2.gz JPASZKNZNKAGRZ-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN CO[C@@H]1CC[C@@H]2OCCN(C[C@H](C)CO)[C@H]2C1 ZINC000121592212 491106584 /nfs/dbraw/zinc/10/65/84/491106584.db2.gz QCWYWIXHURZGDT-RNJOBUHISA-N 0 3 243.347 0.883 20 0 BCADHN CCn1ncnc1CN[C@@H]1CCN(C2CC2)C1 ZINC000088591050 491106640 /nfs/dbraw/zinc/10/66/40/491106640.db2.gz GUJCCWKMCIGBMP-SNVBAGLBSA-N 0 3 235.335 0.624 20 0 BCADHN C[C@@H](CNC(=O)[C@H](O)C1CC1)N(C)C1CC1 ZINC000668096013 491116851 /nfs/dbraw/zinc/11/68/51/491116851.db2.gz WBNYRPKCJYWNRQ-GZMMTYOYSA-N 0 3 226.320 0.356 20 0 BCADHN COc1ccc(CNC(=O)[C@@H]2C[C@@H]2N)c(C)c1 ZINC000643700411 491117490 /nfs/dbraw/zinc/11/74/90/491117490.db2.gz ZYHJMFLHDSBJDU-NEPJUHHUSA-N 0 3 234.299 0.967 20 0 BCADHN C[C@H]1C[C@@H](O)CN1CCN1C[C@@H](C)O[C@H](C)C1 ZINC000314384466 491118216 /nfs/dbraw/zinc/11/82/16/491118216.db2.gz OUEKKIIBCBZGHD-UMSGYPCISA-N 0 3 242.363 0.551 20 0 BCADHN CC[C@@H](N)c1cn([C@@H](C)C(=O)NC2CC2)nn1 ZINC000229939598 491121424 /nfs/dbraw/zinc/12/14/24/491121424.db2.gz CFWJPMXGXCJYRA-IONNQARKSA-N 0 3 237.307 0.528 20 0 BCADHN CS[C@@H](C)CNC(=O)[C@@H](N)C1CCC1 ZINC000399235309 491123442 /nfs/dbraw/zinc/12/34/42/491123442.db2.gz QTJYYBFCAUHVPX-CBAPKCEASA-N 0 3 216.350 0.982 20 0 BCADHN COc1ccc(CNC[C@](C)(O)CO)cc1F ZINC000090286456 491124360 /nfs/dbraw/zinc/12/43/60/491124360.db2.gz OSBMDDXNOIVBRR-LBPRGKRZSA-N 0 3 243.278 0.667 20 0 BCADHN C[C@@H]1C[C@@H](NCC(=O)NCc2ccco2)CO1 ZINC000647170054 491125280 /nfs/dbraw/zinc/12/52/80/491125280.db2.gz LXGOVDMRMOVWMD-NXEZZACHSA-N 0 3 238.287 0.663 20 0 BCADHN CC[C@@](C)(N)c1cn(CCn2cccn2)nn1 ZINC000395194037 491125627 /nfs/dbraw/zinc/12/56/27/491125627.db2.gz BPFNBPJZQVVVOP-LLVKDONJSA-N 0 3 234.307 0.759 20 0 BCADHN CC[C@](C)(N)c1cn(CCn2cccn2)nn1 ZINC000395194040 491125630 /nfs/dbraw/zinc/12/56/30/491125630.db2.gz BPFNBPJZQVVVOP-NSHDSACASA-N 0 3 234.307 0.759 20 0 BCADHN CN1CCC[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000230191001 491128180 /nfs/dbraw/zinc/12/81/80/491128180.db2.gz LASZWLVZZGIBFC-JTQLQIEISA-N 0 3 235.287 0.199 20 0 BCADHN CN(Cc1ccc(C(N)=O)cc1)CC1CC(O)C1 ZINC000091490673 491130924 /nfs/dbraw/zinc/13/09/24/491130924.db2.gz SOZDFWXRCUNDRS-UHFFFAOYSA-N 0 3 248.326 0.988 20 0 BCADHN CCN(CC)C[C@@H](C)NS(C)(=O)=O ZINC000081576170 491135425 /nfs/dbraw/zinc/13/54/25/491135425.db2.gz VFGWNIBHHRHBSB-MRVPVSSYSA-N 0 3 208.327 0.266 20 0 BCADHN CNS(=O)(=O)CCNC1CC(C(F)F)C1 ZINC000308966980 491141165 /nfs/dbraw/zinc/14/11/65/491141165.db2.gz 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QPUJPUOIIZBDDZ-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN COC(=O)[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC000349250649 536782815 /nfs/dbraw/zinc/78/28/15/536782815.db2.gz ZJFFVHJXBNZMQP-SNVBAGLBSA-N 0 3 242.319 0.491 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H]1CCC(=O)N(C)C1=O ZINC000252940061 536877771 /nfs/dbraw/zinc/87/77/71/536877771.db2.gz IJVVRRFNJPNRAM-YIZRAAEISA-N 0 3 228.292 0.147 20 0 BCADHN COC(C)(C)CC(=O)NC[C@@](C)(O)CN(C)C ZINC000226405079 536884034 /nfs/dbraw/zinc/88/40/34/536884034.db2.gz DDCCGSXZDPMDDD-GFCCVEGCSA-N 0 3 246.351 0.230 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)NC1CCN(C)CC1 ZINC000188257962 536886874 /nfs/dbraw/zinc/88/68/74/536886874.db2.gz ZOGBWWAKDYQYAX-UWVGGRQHSA-N 0 3 243.351 0.803 20 0 BCADHN Cc1ccc(F)c(CNC[C@](C)(O)CO)c1 ZINC000235756595 537904380 /nfs/dbraw/zinc/90/43/80/537904380.db2.gz DINOJQRRQOFKOG-LBPRGKRZSA-N 0 3 227.279 0.967 20 0 BCADHN C[C@@H]1CCCN(CCN2C(=O)CN(C)C2=O)C1 ZINC000348853067 538002621 /nfs/dbraw/zinc/00/26/21/538002621.db2.gz FMKCEEDEBRYRAY-SNVBAGLBSA-N 0 3 239.319 0.612 20 0 BCADHN CO[C@H]1CN(CCc2cn[nH]n2)CC[C@H]1C ZINC000660376446 538705678 /nfs/dbraw/zinc/70/56/78/538705678.db2.gz OOMQRFRIGRHGHK-KOLCDFICSA-N 0 3 224.308 0.704 20 0 BCADHN CC(=O)OC[C@@H](C)N[C@H](C)Cn1cncn1 ZINC000892686243 582955452 /nfs/dbraw/zinc/95/54/52/582955452.db2.gz IXMVUOSYRYPLBU-RKDXNWHRSA-N 0 3 226.280 0.208 20 0 BCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C1CC(=O)C1 ZINC000136992732 566260537 /nfs/dbraw/zinc/26/05/37/566260537.db2.gz YTDSRZGJDBNHJC-NSHDSACASA-N 0 3 236.315 0.566 20 0 BCADHN CC[C@@H]1CN(C)CCCN1C(=O)[C@H](C)OC ZINC000300551163 566319437 /nfs/dbraw/zinc/31/94/37/566319437.db2.gz RWEJPEDTNZIBPS-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CSC1CCN(c2nc(N)nc(N)n2)CC1 ZINC000601205786 566331499 /nfs/dbraw/zinc/33/14/99/566331499.db2.gz HNWCYPNTGGRMHL-UHFFFAOYSA-N 0 3 240.336 0.029 20 0 BCADHN C[C@H]1CN(C[C@@H]2CCC(=O)O2)CCCO1 ZINC000851748295 582966317 /nfs/dbraw/zinc/96/63/17/582966317.db2.gz LTRFFQWFDRIOQI-UWVGGRQHSA-N 0 3 213.277 0.803 20 0 BCADHN CO[C@@H]1CC[C@H](N[C@@H](CO)c2cnn(C)c2)C1 ZINC000851933650 582981177 /nfs/dbraw/zinc/98/11/77/582981177.db2.gz SPUPEOUUFRPAPR-TUAOUCFPSA-N 0 3 239.319 0.611 20 0 BCADHN CC(C)[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852852980 583020419 /nfs/dbraw/zinc/02/04/19/583020419.db2.gz OHULEBULZYCQMC-NXEZZACHSA-N 0 3 239.319 0.595 20 0 BCADHN CCC(=O)N1CC[C@H](N[C@@H](C)COC(C)=O)C1 ZINC000893112202 583050931 /nfs/dbraw/zinc/05/09/31/583050931.db2.gz MBVLKOUHVUOJFV-ONGXEEELSA-N 0 3 242.319 0.539 20 0 BCADHN CC(=O)OC[C@H](C)NC[C@H]1CCCS1(=O)=O ZINC000893174866 583064358 /nfs/dbraw/zinc/06/43/58/583064358.db2.gz JERPLDBZFHKEND-WCBMZHEXSA-N 0 3 249.332 0.105 20 0 BCADHN CN(CC[N@H+](C)C1CC1)c1cc(=O)[n-]cn1 ZINC000893228641 583074875 /nfs/dbraw/zinc/07/48/75/583074875.db2.gz LCXINDWLRSQGDA-UHFFFAOYSA-N 0 3 222.292 0.713 20 0 BCADHN CN(CC[N@@H+](C)C1CC1)c1cc(=O)[n-]cn1 ZINC000893228641 583074878 /nfs/dbraw/zinc/07/48/78/583074878.db2.gz LCXINDWLRSQGDA-UHFFFAOYSA-N 0 3 222.292 0.713 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)C[C@@H]1CCNC1=O ZINC000893291738 583089104 /nfs/dbraw/zinc/08/91/04/583089104.db2.gz PIJSLICRKRKMJC-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@H](CO)NC(=S)NC1CCN(C)CC1 ZINC000776193732 583112857 /nfs/dbraw/zinc/11/28/57/583112857.db2.gz AARRRYJBOSSRON-SECBINFHSA-N 0 3 245.392 0.316 20 0 BCADHN CC(=O)OC[C@@H](C)NCCc1ccn(C)n1 ZINC000893591003 583168444 /nfs/dbraw/zinc/16/84/44/583168444.db2.gz DGRDWBRKDIIHFQ-SECBINFHSA-N 0 3 225.292 0.504 20 0 BCADHN COCC[C@@H](N)C(=O)NCC[C@H]1CCCCO1 ZINC000224057716 583182293 /nfs/dbraw/zinc/18/22/93/583182293.db2.gz CWKMPARSENRNJG-GHMZBOCLSA-N 0 3 244.335 0.426 20 0 BCADHN CN1C[C@@H]2CCN(c3cc(F)ncn3)[C@@H]2C1 ZINC000893935321 583252771 /nfs/dbraw/zinc/25/27/71/583252771.db2.gz QAFYTUBKNWGWNW-DTWKUNHWSA-N 0 3 222.267 0.756 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@H](C)COC(C)=O ZINC000893964352 583261086 /nfs/dbraw/zinc/26/10/86/583261086.db2.gz VJWZTNROEREXPS-BDAKNGLRSA-N 0 3 230.308 0.394 20 0 BCADHN Cc1ccnc(N)c1CN1CC[C@H](O)C1 ZINC000893947678 583258774 /nfs/dbraw/zinc/25/87/74/583258774.db2.gz ZNBVQRMCDPHRFO-VIFPVBQESA-N 0 3 207.277 0.539 20 0 BCADHN C[C@H](O)CCN[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894030732 583277206 /nfs/dbraw/zinc/27/72/06/583277206.db2.gz ZAVUIWZUSPRLSN-DCAQKATOSA-N 0 3 247.310 0.981 20 0 BCADHN COC(=O)[C@H]1[C@@H](CNCCCO)C1(F)F ZINC000894145402 583318287 /nfs/dbraw/zinc/31/82/87/583318287.db2.gz CDUSDAYJAVLTBC-RNFRBKRXSA-N 0 3 223.219 0.013 20 0 BCADHN COC(=O)[C@@H]1[C@H](CNC[C@@H]2CCCO2)C1(F)F ZINC000894145347 583318160 /nfs/dbraw/zinc/31/81/60/583318160.db2.gz ALBORIWDAVHDIU-CIUDSAMLSA-N 0 3 249.257 0.809 20 0 BCADHN C[C@@]1(NC(=O)c2ccc(N)cc2[O-])CC[NH2+]C1 ZINC000852931021 588714043 /nfs/dbraw/zinc/71/40/43/588714043.db2.gz QUMAAUDXQMOCJK-GFCCVEGCSA-N 0 3 235.287 0.456 20 0 BCADHN CO[C@@H](C)CNC[C@H](O)c1ccccn1 ZINC000853065279 588718793 /nfs/dbraw/zinc/71/87/93/588718793.db2.gz WPSWDNVVYHBPIW-ONGXEEELSA-N 0 3 210.277 0.740 20 0 BCADHN CCN1C[C@H](NC[C@H](O)c2ccccn2)CC1=O ZINC000853107247 588720625 /nfs/dbraw/zinc/72/06/25/588720625.db2.gz QSIKAILIBWRKES-PWSUYJOCSA-N 0 3 249.314 0.325 20 0 BCADHN Cc1cc(CNC[C@@H](O)c2ccccn2)[nH]n1 ZINC000853101347 588720100 /nfs/dbraw/zinc/72/01/00/588720100.db2.gz ZBEIQGOBTUVHGE-GFCCVEGCSA-N 0 3 232.287 0.936 20 0 BCADHN Cc1cc(CNC[C@@H](O)c2ccccn2)n[nH]1 ZINC000853101347 588720101 /nfs/dbraw/zinc/72/01/01/588720101.db2.gz ZBEIQGOBTUVHGE-GFCCVEGCSA-N 0 3 232.287 0.936 20 0 BCADHN O[C@@H](CN[C@H]1CCOC1)c1ccccn1 ZINC000853101916 588720218 /nfs/dbraw/zinc/72/02/18/588720218.db2.gz DKBXALKXQCEXDX-ONGXEEELSA-N 0 3 208.261 0.494 20 0 BCADHN C[C@]1(CNC[C@@H](O)c2ccccn2)CCC(=O)N1 ZINC000853106565 588720806 /nfs/dbraw/zinc/72/08/06/588720806.db2.gz BYFULBJALRSHFB-DGCLKSJQSA-N 0 3 249.314 0.373 20 0 BCADHN OCCN1CCCN(c2cnc(F)cn2)CC1 ZINC000853271991 588730352 /nfs/dbraw/zinc/73/03/52/588730352.db2.gz PNJITIZRAAPAOB-UHFFFAOYSA-N 0 3 240.282 0.120 20 0 BCADHN CN(CC1CN(C)C1)Cn1ccsc1=O ZINC000853553752 588748515 /nfs/dbraw/zinc/74/85/15/588748515.db2.gz SLVXEASVFWWBGA-UHFFFAOYSA-N 0 3 227.333 0.361 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)NOC ZINC000111443439 588749778 /nfs/dbraw/zinc/74/97/78/588749778.db2.gz WZBRLUZEYMFARI-VIFPVBQESA-N 0 3 215.297 0.721 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)NOC ZINC000111443435 588750691 /nfs/dbraw/zinc/75/06/91/588750691.db2.gz WZBRLUZEYMFARI-SECBINFHSA-N 0 3 215.297 0.721 20 0 BCADHN CO[C@@H](C)C(=N)NOCc1nonc1C ZINC000853673531 588754626 /nfs/dbraw/zinc/75/46/26/588754626.db2.gz FZDDCVFLPCJCLT-LURJTMIESA-N 0 3 214.225 0.411 20 0 BCADHN Cc1cc(NC(=O)CCOC2CNC2)ccc1N ZINC000854009773 588771472 /nfs/dbraw/zinc/77/14/72/588771472.db2.gz FPPDDGHKBNADSM-UHFFFAOYSA-N 0 3 249.314 0.894 20 0 BCADHN CCC/C(C)=C/C(=O)N1CCOC2(CNC2)C1 ZINC000854016171 588771849 /nfs/dbraw/zinc/77/18/49/588771849.db2.gz SNINRSLXGABQTM-YRNVUSSQSA-N 0 3 238.331 0.934 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NCC1=CCCC1 ZINC000854226361 588780529 /nfs/dbraw/zinc/78/05/29/588780529.db2.gz AMHRRXOSSONSGP-VXGBXAGGSA-N 0 3 238.331 0.980 20 0 BCADHN CC1=NO[C@H](C(=O)NC2CCN(C)CC2)C1 ZINC000854287877 588782539 /nfs/dbraw/zinc/78/25/39/588782539.db2.gz BIPDAKDKPXQLOF-JTQLQIEISA-N 0 3 225.292 0.362 20 0 BCADHN CC1=NO[C@@H](C(=O)NC2CCN(C)CC2)C1 ZINC000854287878 588782727 /nfs/dbraw/zinc/78/27/27/588782727.db2.gz BIPDAKDKPXQLOF-SNVBAGLBSA-N 0 3 225.292 0.362 20 0 BCADHN COC/C=C/C(=O)NOC1CCN(C)CC1 ZINC000854357981 588784735 /nfs/dbraw/zinc/78/47/35/588784735.db2.gz NYKDPULCZRQPQV-ONEGZZNKSA-N 0 3 228.292 0.331 20 0 BCADHN COC/C(C)=C\C(=O)NOC1CCN(C)CC1 ZINC000854357887 588784980 /nfs/dbraw/zinc/78/49/80/588784980.db2.gz LMAXEOUAWOMYSH-NTMALXAHSA-N 0 3 242.319 0.721 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)C1(F)CCCC1 ZINC000854465669 588788437 /nfs/dbraw/zinc/78/84/37/588788437.db2.gz SOASQYWRCVIVCW-VIFPVBQESA-N 0 3 232.299 0.307 20 0 BCADHN CCCN(C)CC(=O)NCc1ocnc1C ZINC000854586747 588795955 /nfs/dbraw/zinc/79/59/55/588795955.db2.gz YZWZPSOOXZLLHH-UHFFFAOYSA-N 0 3 225.292 0.941 20 0 BCADHN C[C@@H]1[C@@H](N(C)C)CCN1C(=O)[C@H]1CCC(=O)C1 ZINC000854653303 588799325 /nfs/dbraw/zinc/79/93/25/588799325.db2.gz XYQCJFZECNCUKC-SCVCMEIPSA-N 0 3 238.331 0.907 20 0 BCADHN C[C@@H](CC(=O)[N-]OCC[NH+](C)C)[C@H]1CCCO1 ZINC000854690617 588801653 /nfs/dbraw/zinc/80/16/53/588801653.db2.gz DIWHIPGMAMJATN-WDEREUQCSA-N 0 3 244.335 0.801 20 0 BCADHN CN(C)CC1CN(C(=O)C(=O)C(C)(C)C)C1 ZINC000854725087 588804368 /nfs/dbraw/zinc/80/43/68/588804368.db2.gz YXRKAPIFYDWFDO-UHFFFAOYSA-N 0 3 226.320 0.622 20 0 BCADHN CC1=NO[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC000854797730 588810073 /nfs/dbraw/zinc/81/00/73/588810073.db2.gz VWKPFBAPSBPPCL-MNOVXSKESA-N 0 3 241.335 0.854 20 0 BCADHN CON1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000854859965 588814041 /nfs/dbraw/zinc/81/40/41/588814041.db2.gz TUQDGRUHYPMFGR-LLVKDONJSA-N 0 3 243.351 0.278 20 0 BCADHN CN(C)CC(C)(C)NC(=O)C[C@H]1CCC(=O)N1 ZINC000854901059 588816181 /nfs/dbraw/zinc/81/61/81/588816181.db2.gz DSPDTLWJHFNEEL-SECBINFHSA-N 0 3 241.335 0.112 20 0 BCADHN CN(C)CCONC(=O)c1ccn(C(F)F)n1 ZINC000854945749 588817773 /nfs/dbraw/zinc/81/77/73/588817773.db2.gz OKBODXJNKRPIMC-UHFFFAOYSA-N 0 3 248.233 0.501 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)CCc1cscn1 ZINC000854945312 588818090 /nfs/dbraw/zinc/81/80/90/588818090.db2.gz GASVOXNJRGWSJY-UHFFFAOYSA-N 0 3 243.332 0.685 20 0 BCADHN CN(C)CCONC(=O)/C=C/[C@@H]1CCOC1 ZINC000854947382 588818356 /nfs/dbraw/zinc/81/83/56/588818356.db2.gz UCVBXVCSBKVRCE-HMDXOVGESA-N 0 3 228.292 0.189 20 0 BCADHN COC/C=C/C(=O)NC[C@H](C)N(C)C ZINC000855009751 588820158 /nfs/dbraw/zinc/82/01/58/588820158.db2.gz SXGIBNNQVROBSN-CYNONHLPSA-N 0 3 200.282 0.255 20 0 BCADHN C[C@@H](CNC(=O)[C@H](O)c1ccccn1)N(C)C ZINC000855009657 588820195 /nfs/dbraw/zinc/82/01/95/588820195.db2.gz JQVQKLJQZZPKGE-GXSJLCMTSA-N 0 3 237.303 0.181 20 0 BCADHN C[C@@H](CNC(=O)CC1(O)CCC1)N(C)C ZINC000855008847 588820251 /nfs/dbraw/zinc/82/02/51/588820251.db2.gz AIFOJNWISVUEDI-VIFPVBQESA-N 0 3 214.309 0.358 20 0 BCADHN OCCCN1CCCC[C@@H]1C1OCCO1 ZINC000110991063 582468871 /nfs/dbraw/zinc/46/88/71/582468871.db2.gz WUDKDNLWMZGFHO-SNVBAGLBSA-N 0 3 215.293 0.596 20 0 BCADHN CCN(C(=O)CC1(O)CCC1)[C@@H]1CCN(C)C1 ZINC000855364202 588828850 /nfs/dbraw/zinc/82/88/50/588828850.db2.gz ZCKCMDFHNRJXNT-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN CCN(C(=O)[C@@H]1CC(C)=NO1)[C@@H]1CCN(C)C1 ZINC000855363175 588829040 /nfs/dbraw/zinc/82/90/40/588829040.db2.gz ZNKPCXYMTCNFRO-MNOVXSKESA-N 0 3 239.319 0.704 20 0 BCADHN CCN(C(=O)c1[nH]nnc1C)[C@H]1CCN(C)C1 ZINC000855361453 588829090 /nfs/dbraw/zinc/82/90/90/588829090.db2.gz VIZKBIUDYHRALK-VIFPVBQESA-N 0 3 237.307 0.279 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H](O)[C@H](F)C1)N(C)C ZINC000890682110 582502461 /nfs/dbraw/zinc/50/24/61/582502461.db2.gz PAJADMXADOXYBY-KXUCPTDWSA-N 0 3 232.299 0.258 20 0 BCADHN CN(C)C1(C(=O)N2CC[C@H](O)[C@H](F)C2)CCC1 ZINC000890686748 582504404 /nfs/dbraw/zinc/50/44/04/582504404.db2.gz IFDRQVUYXLHALA-ZJUUUORDSA-N 0 3 244.310 0.402 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@H](O)[C@@H](F)C1 ZINC000890702838 582509680 /nfs/dbraw/zinc/50/96/80/582509680.db2.gz SANDXBPNODQMSP-UWVGGRQHSA-N 0 3 232.299 0.258 20 0 BCADHN CN1CCC(C(=O)NCC[C@@H](O)C2CC2)CC1 ZINC000890714522 582512515 /nfs/dbraw/zinc/51/25/15/582512515.db2.gz RCRDVGRHVXRXBZ-GFCCVEGCSA-N 0 3 240.347 0.605 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1COC[C@H]1C1CC1)N(C)C ZINC000891035541 582598303 /nfs/dbraw/zinc/59/83/03/582598303.db2.gz VESYYKCXVWMXEJ-SRVKXCTJSA-N 0 3 240.347 0.868 20 0 BCADHN CN1CCC[C@@](O)(CC(=O)NC/C=C/Cl)C1 ZINC000891197525 582624950 /nfs/dbraw/zinc/62/49/50/582624950.db2.gz KOCYFPVNGJGFAL-JOAKQRRISA-N 0 3 246.738 0.702 20 0 BCADHN CC[C@H](C(=O)N(CCF)CCOC)N(C)C ZINC000855593104 588840857 /nfs/dbraw/zinc/84/08/57/588840857.db2.gz HZRLNXOPBCCBED-SNVBAGLBSA-N 0 3 234.315 0.771 20 0 BCADHN OCc1cnccc1NCCn1ccnc1 ZINC000891515553 582694701 /nfs/dbraw/zinc/69/47/01/582694701.db2.gz HOKDAGGXBLZWSF-UHFFFAOYSA-N 0 3 218.260 0.304 20 0 BCADHN CC(=O)N1CCC(Nc2ccncc2CO)CC1 ZINC000891587321 582699559 /nfs/dbraw/zinc/69/95/59/582699559.db2.gz QTAURHIDDJJIKI-UHFFFAOYSA-N 0 3 249.314 0.419 20 0 BCADHN CCOCCNC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000891778799 582719642 /nfs/dbraw/zinc/71/96/42/582719642.db2.gz DBIPYKIWQFKWPE-GHMZBOCLSA-N 0 3 241.335 0.368 20 0 BCADHN OC[C@@H]1CCCN1Cc1cnn(CCF)c1 ZINC000891794707 582722170 /nfs/dbraw/zinc/72/21/70/582722170.db2.gz ZXJWPXLHKYYDED-NSHDSACASA-N 0 3 227.283 0.809 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000891906302 582736326 /nfs/dbraw/zinc/73/63/26/582736326.db2.gz KYHUOOVUYWIOKJ-SRVKXCTJSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)c1ncccn1 ZINC000891908941 582736518 /nfs/dbraw/zinc/73/65/18/582736518.db2.gz YUOHNJMVRWIESI-SNVBAGLBSA-N 0 3 234.303 0.643 20 0 BCADHN OCc1cnccc1NCCn1cccn1 ZINC000891952059 582744379 /nfs/dbraw/zinc/74/43/79/582744379.db2.gz GXZCBHOKPNFEIW-UHFFFAOYSA-N 0 3 218.260 0.304 20 0 BCADHN COC[C@@H](C)CCOC(=O)C1CCN(C)C1=O ZINC000847877761 582744904 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/nfs/dbraw/zinc/80/57/90/582805790.db2.gz CIDQVMBAIMQOEU-SNVBAGLBSA-N 0 3 245.298 0.118 20 0 BCADHN Cn1nc2c(c1CN1CC[C@](C)(O)C1)CCC2 ZINC000892186039 582806533 /nfs/dbraw/zinc/80/65/33/582806533.db2.gz PJMTVBRWXIVLGE-ZDUSSCGKSA-N 0 3 235.331 0.866 20 0 BCADHN CC[S@](=O)CCNC[C@@H](O)C(F)(F)F ZINC000217331729 582826080 /nfs/dbraw/zinc/82/60/80/582826080.db2.gz JVNYKYVAZIVDHK-RCNPXXIZSA-N 0 3 233.255 0.268 20 0 BCADHN CN(C)Cc1cccc(C(=O)N2CC[C@@H]2CO)c1 ZINC000889140251 582841188 /nfs/dbraw/zinc/84/11/88/582841188.db2.gz LZDUQURKWLETSH-CYBMUJFWSA-N 0 3 248.326 0.955 20 0 BCADHN CN(CCC(=O)N1CC[C@@H]1CO)c1ccncc1 ZINC000889148035 582847071 /nfs/dbraw/zinc/84/70/71/582847071.db2.gz PUWGOMHIXZSOHE-GFCCVEGCSA-N 0 3 249.314 0.501 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CC12CC(O)C2)N(C)C ZINC000888946674 582875177 /nfs/dbraw/zinc/87/51/77/582875177.db2.gz KRIXJTGARXMRBG-WDHPUFTPSA-N 0 3 226.320 0.356 20 0 BCADHN CCC(=O)CCN(C)CC1(O)CCOCC1 ZINC000143500443 582878322 /nfs/dbraw/zinc/87/83/22/582878322.db2.gz HDONMSMTUUKTJM-UHFFFAOYSA-N 0 3 229.320 0.829 20 0 BCADHN CCCN1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC000856072922 588859422 /nfs/dbraw/zinc/85/94/22/588859422.db2.gz FTKKYJMQEITJGZ-VIFPVBQESA-N 0 3 237.307 0.029 20 0 BCADHN CCCN1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000856073741 588859516 /nfs/dbraw/zinc/85/95/16/588859516.db2.gz WKDFYFINZLZDAY-JTQLQIEISA-N 0 3 236.319 0.553 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@H](O)C(C)(C)C)C1 ZINC000856073305 588859532 /nfs/dbraw/zinc/85/95/32/588859532.db2.gz NJIXBTMAQCNPMJ-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CC[C@@H](NC(=O)[C@H](CC)CO)C1 ZINC000856073261 588859620 /nfs/dbraw/zinc/85/96/20/588859620.db2.gz MOBQYSUWMHZMEK-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN Cc1cc(CNCCOCCO)cnc1F ZINC000892432643 582886181 /nfs/dbraw/zinc/88/61/81/582886181.db2.gz SNSUPGAXXCHDDM-UHFFFAOYSA-N 0 3 228.267 0.628 20 0 BCADHN COCCOc1ccc(CNC[C@@H](C)O)o1 ZINC000892441964 582888386 /nfs/dbraw/zinc/88/83/86/582888386.db2.gz 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CN1CCN(c2cc(N)ncc2Cl)CC1=O ZINC000892639902 582935720 /nfs/dbraw/zinc/93/57/20/582935720.db2.gz JFFUVKSBFQMXTF-UHFFFAOYSA-N 0 3 240.694 0.596 20 0 BCADHN CC[C@@H](CCO)Nc1nc(C)cc(N)n1 ZINC000892651141 582940170 /nfs/dbraw/zinc/94/01/70/582940170.db2.gz USXAUXYCLUACPC-QMMMGPOBSA-N 0 3 210.281 0.940 20 0 BCADHN CNC(=O)[C@@H](N[C@H]1CCCOC1)C(C)C ZINC000134642610 582945356 /nfs/dbraw/zinc/94/53/56/582945356.db2.gz KNZQZNNGCVMGOP-UWVGGRQHSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@H](CO)NCc1cnn(C)c1C1CC1 ZINC000892668546 582946280 /nfs/dbraw/zinc/94/62/80/582946280.db2.gz JVHFUDBMMXEJRV-MRVPVSSYSA-N 0 3 209.293 0.768 20 0 BCADHN CCn1cc(CNCCOCCOC)c(C)n1 ZINC000892673692 582948733 /nfs/dbraw/zinc/94/87/33/582948733.db2.gz IWWWZHNZUPIAFE-UHFFFAOYSA-N 0 3 241.335 0.964 20 0 BCADHN Cc1cc(N)nc(N2CC[C@H](N3CC=CC3)C2)n1 ZINC000892678509 582951304 /nfs/dbraw/zinc/95/13/04/582951304.db2.gz BGYKNFRWOKPPAA-NSHDSACASA-N 0 3 245.330 0.818 20 0 BCADHN CC(=O)OC[C@@H](C)N[C@H](C)C(=O)NC(C)(C)C ZINC000892681260 582952834 /nfs/dbraw/zinc/95/28/34/582952834.db2.gz HCYFPPUEZLZWHC-RKDXNWHRSA-N 0 3 244.335 0.831 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCN3C(=O)OC[C@H]3C2)C1 ZINC000851814337 582968598 /nfs/dbraw/zinc/96/85/98/582968598.db2.gz ZPCFRNWCCJSYPL-HBNTYKKESA-N 0 3 240.303 0.690 20 0 BCADHN CCc1nc([C@@H](C)N[C@H](CO)C2CC2)n[nH]1 ZINC000851933655 582980354 /nfs/dbraw/zinc/98/03/54/582980354.db2.gz STYSKQSYCVZKFL-VXNVDRBHSA-N 0 3 224.308 0.789 20 0 BCADHN C[C@]1(NC(=O)[C@@H]2CCCO2)CN2CCC1CC2 ZINC000892779475 582981265 /nfs/dbraw/zinc/98/12/65/582981265.db2.gz OPTZGLSTCZXMNC-AAEUAGOBSA-N 0 3 238.331 0.766 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@H]2CCC(=O)O2)[C@@H]1C ZINC000851974972 582987885 /nfs/dbraw/zinc/98/78/85/582987885.db2.gz MRXBILJOKQQBTL-OPRDCNLKSA-N 0 3 241.287 0.575 20 0 BCADHN CCN(C[C@@H]1CCC(=O)O1)[C@H](C)CO ZINC000852075396 582997384 /nfs/dbraw/zinc/99/73/84/582997384.db2.gz KGDZFSZFNCNARC-BDAKNGLRSA-N 0 3 201.266 0.395 20 0 BCADHN COC(CCN(CCO)[C@@H]1CCO[C@H]1C)OC ZINC000852004450 582992088 /nfs/dbraw/zinc/99/20/88/582992088.db2.gz RAWLQYXSJPCEBS-WDEREUQCSA-N 0 3 247.335 0.467 20 0 BCADHN CC[C@@H]1CN(C(=O)c2ccnnc2)C[C@H](C)N1 ZINC000856408887 588871935 /nfs/dbraw/zinc/87/19/35/588871935.db2.gz WJZZRDLKVKLZAK-GXSJLCMTSA-N 0 3 234.303 0.689 20 0 BCADHN CC[C@@H]1CN(C(=O)c2cccc[n+]2[O-])C[C@H](C)N1 ZINC000856409111 588871976 /nfs/dbraw/zinc/87/19/76/588871976.db2.gz DKIUMCXCNSZAOK-WDEREUQCSA-N 0 3 249.314 0.533 20 0 BCADHN CCC[C@H](O)CN1CC[C@H](N2CCOC2=O)C1 ZINC000852439645 583013734 /nfs/dbraw/zinc/01/37/34/583013734.db2.gz DWKBDPJXCKTWDV-QWRGUYRKSA-N 0 3 242.319 0.674 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](O)C(C)(C)C)C[C@H](C)N1 ZINC000856408389 588872137 /nfs/dbraw/zinc/87/21/37/588872137.db2.gz LWMGYQISXHNJML-HBNTYKKESA-N 0 3 242.363 0.992 20 0 BCADHN CC(C)[C@H](F)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000784512299 583016839 /nfs/dbraw/zinc/01/68/39/583016839.db2.gz NUHJDQGHQDOMNF-ONGXEEELSA-N 0 3 232.299 0.163 20 0 BCADHN CC[S@@](=O)CCN[C@@H](C)COCCOC ZINC000892952520 583017513 /nfs/dbraw/zinc/01/75/13/583017513.db2.gz YZIJWXYKIRSDDT-ZUZCIYMTSA-N 0 3 237.365 0.396 20 0 BCADHN CCOc1cncc(CNCC[S@](C)=O)c1 ZINC000856770353 588876812 /nfs/dbraw/zinc/87/68/12/588876812.db2.gz QYLKWAFSKDCYGX-INIZCTEOSA-N 0 3 242.344 0.948 20 0 BCADHN NC[C@H]1CC(C(=O)Nc2ccc(O)cc2)=NO1 ZINC000852874622 583021795 /nfs/dbraw/zinc/02/17/95/583021795.db2.gz BNVLBLJDQCZGSM-SECBINFHSA-N 0 3 235.243 0.434 20 0 BCADHN CCn1nccc1CNC(=O)[C@]1(F)CCNC1 ZINC000852927699 583022960 /nfs/dbraw/zinc/02/29/60/583022960.db2.gz PUCDNXLOFGYBPX-NSHDSACASA-N 0 3 240.282 0.221 20 0 BCADHN CCn1nccc1CNC(=O)[C@@]1(F)CCNC1 ZINC000852927695 583022971 /nfs/dbraw/zinc/02/29/71/583022971.db2.gz PUCDNXLOFGYBPX-LLVKDONJSA-N 0 3 240.282 0.221 20 0 BCADHN COCCOC[C@H](C)N[C@H](C)COC(C)=O ZINC000893079241 583044053 /nfs/dbraw/zinc/04/40/53/583044053.db2.gz HXGGGVBVPZTFJQ-VHSXEESVSA-N 0 3 233.308 0.579 20 0 BCADHN CO[C@H](C)CC(=O)N1CCN[C@H](C(C)C)C1 ZINC000856485469 588873654 /nfs/dbraw/zinc/87/36/54/588873654.db2.gz OQWDMCMCYIMXAW-MNOVXSKESA-N 0 3 228.336 0.868 20 0 BCADHN CC1=NO[C@H](C(=O)N2CCN[C@@H](C(C)C)C2)C1 ZINC000856488651 588873848 /nfs/dbraw/zinc/87/38/48/588873848.db2.gz AVQUQNLEMPGNSY-MNOVXSKESA-N 0 3 239.319 0.608 20 0 BCADHN Cc1n[nH]nc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000856489746 588873874 /nfs/dbraw/zinc/87/38/74/588873874.db2.gz QOZPUHGOWRAGIP-VIFPVBQESA-N 0 3 237.307 0.183 20 0 BCADHN CC(C)[C@H]1CN(C(=O)Cc2ncc[nH]2)CCN1 ZINC000856488673 588873902 /nfs/dbraw/zinc/87/39/02/588873902.db2.gz BBQDVMKZJYRCPD-SNVBAGLBSA-N 0 3 236.319 0.409 20 0 BCADHN CC[C@@H](CO)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000856490032 588873967 /nfs/dbraw/zinc/87/39/67/588873967.db2.gz UFPOKIZCANQCTC-QWRGUYRKSA-N 0 3 228.336 0.461 20 0 BCADHN Nc1cc(N[C@@H]2CNC(=O)C2)c(Cl)cn1 ZINC000893101749 583049691 /nfs/dbraw/zinc/04/96/91/583049691.db2.gz AMXKJGFLXHGEIE-YFKPBYRVSA-N 0 3 226.667 0.618 20 0 BCADHN CC(=O)OC[C@H](C)NCCNc1cnccn1 ZINC000893104918 583050466 /nfs/dbraw/zinc/05/04/66/583050466.db2.gz 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ZINC000894881634 583544000 /nfs/dbraw/zinc/54/40/00/583544000.db2.gz SAIAZFZNOQITKB-SFYZADRCSA-N 0 3 219.235 0.904 20 0 BCADHN O=C1CCCN1CCCN1CC=C[C@@H]1CO ZINC000880485848 583544369 /nfs/dbraw/zinc/54/43/69/583544369.db2.gz IHKDBNVXWIXFCI-LLVKDONJSA-N 0 3 224.304 0.232 20 0 BCADHN CCOCC[C@H](O)CN1CC=C[C@H]1CO ZINC000880491160 583545182 /nfs/dbraw/zinc/54/51/82/583545182.db2.gz HMZZHAMXNGTSFY-QWRGUYRKSA-N 0 3 215.293 0.007 20 0 BCADHN O=C(CCN1CC=C[C@@H]1CO)N1CCCC1 ZINC000880491177 583545300 /nfs/dbraw/zinc/54/53/00/583545300.db2.gz HXSIKVPVLNTVOT-LLVKDONJSA-N 0 3 224.304 0.232 20 0 BCADHN COc1cncc(CNC[C@@H]2COCO2)c1 ZINC000894884130 583545969 /nfs/dbraw/zinc/54/59/69/583545969.db2.gz CYHHWCZPPCXDAD-LLVKDONJSA-N 0 3 224.260 0.553 20 0 BCADHN C[C@H](O)CCN1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880526770 583546113 /nfs/dbraw/zinc/54/61/13/583546113.db2.gz NTNZQVHDLYKGDA-GARJFASQSA-N 0 3 226.320 0.358 20 0 BCADHN CC(C)(O)CCN1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880522759 583546282 /nfs/dbraw/zinc/54/62/82/583546282.db2.gz AOPOTMKPUABJKU-MNOVXSKESA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(C)(F)F ZINC000857765036 588910115 /nfs/dbraw/zinc/91/01/15/588910115.db2.gz INPAUBRAQHLHRR-RQJHMYQMSA-N 0 3 236.262 0.871 20 0 BCADHN OCc1cnccc1NCC[C@@H](O)C(F)F ZINC000894916826 583555592 /nfs/dbraw/zinc/55/55/92/583555592.db2.gz XOFBTCQWECGQBN-SECBINFHSA-N 0 3 232.230 0.424 20 0 BCADHN C[C@@]1(O)C[C@H](N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000894955932 583558844 /nfs/dbraw/zinc/55/88/44/583558844.db2.gz TWRRECINWVQIFK-BBBLOLIVSA-N 0 3 233.333 0.067 20 0 BCADHN O=C1[C@H](NCc2cnc[nH]2)C[C@@H]2CCCCN12 ZINC000894970076 583560393 /nfs/dbraw/zinc/56/03/93/583560393.db2.gz VFJBNSATEYJIDJ-WDEREUQCSA-N 0 3 234.303 0.653 20 0 BCADHN CC(=O)N[C@@H]1CCN(Cc2cc[nH]c(=O)c2)C1 ZINC000894973025 583562260 /nfs/dbraw/zinc/56/22/60/583562260.db2.gz IPQNTGSNMPCMMT-LLVKDONJSA-N 0 3 235.287 0.498 20 0 BCADHN CON(C)C(=O)CNC1CC2(CCC2)C1 ZINC000895045666 583571579 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RUAIGPKWUQZECW-UHFFFAOYSA-N 0 3 219.288 0.801 20 0 BCADHN C[C@H](N[C@H]1CC[C@H]1C)C1N=NC(=O)N1C ZINC000895173979 583613711 /nfs/dbraw/zinc/61/37/11/583613711.db2.gz CQQQUGPQNQRGEQ-CSMHCCOUSA-N 0 3 210.281 0.970 20 0 BCADHN C[C@H](N[C@@H]1CCO[C@H](C)C1)C1N=NC(=O)N1C ZINC000895175481 583615115 /nfs/dbraw/zinc/61/51/15/583615115.db2.gz JGJHRBJYYHBKBD-HRDYMLBCSA-N 0 3 240.307 0.739 20 0 BCADHN C[C@H](N[C@@H]1CSC[C@H]1C)c1n[nH]c(=O)n1C ZINC000895177765 583616538 /nfs/dbraw/zinc/61/65/38/583616538.db2.gz XJCBMCWCEZNMRS-GJMOJQLCSA-N 0 3 242.348 0.923 20 0 BCADHN C[C@@H](NCc1ccn(C)c1)c1n[nH]c(=O)n1C ZINC000895179332 583616971 /nfs/dbraw/zinc/61/69/71/583616971.db2.gz GZWDWNQNVMTVEN-MRVPVSSYSA-N 0 3 235.291 0.710 20 0 BCADHN Cc1ncoc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000895186468 583619428 /nfs/dbraw/zinc/61/94/28/583619428.db2.gz IMTZEFVOZMFQOK-WDEREUQCSA-N 0 3 237.303 0.234 20 0 BCADHN O=C1C[C@H](CN[C@H]2CCCc3c[nH]nc32)CN1 ZINC000857869105 588917001 /nfs/dbraw/zinc/91/70/01/588917001.db2.gz JUAUJCXHZYADCG-SCZZXKLOSA-N 0 3 234.303 0.513 20 0 BCADHN COCCC(=O)N[C@@H](CN(C)C)C(C)C ZINC000727178425 583620297 /nfs/dbraw/zinc/62/02/97/583620297.db2.gz WSUYGAFBCIGQCY-JTQLQIEISA-N 0 3 216.325 0.725 20 0 BCADHN C[C@@H](CNC(=O)NC1CC(CCO)C1)N(C)C ZINC000895204277 583625126 /nfs/dbraw/zinc/62/51/26/583625126.db2.gz AHQSSAHNMLBEIE-WHXUTIOJSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H](CNC(=O)NC/C=C\Cl)N(C)C ZINC000895209703 583625896 /nfs/dbraw/zinc/62/58/96/583625896.db2.gz YTSLVIUKPSKBSY-LGYSABEFSA-N 0 3 219.716 0.988 20 0 BCADHN C[C@@H](CNC(=O)N1CC[C@H](O)[C@H](F)C1)N(C)C ZINC000895208805 583626241 /nfs/dbraw/zinc/62/62/41/583626241.db2.gz MXAKUPZXIMYXAH-AEJSXWLSSA-N 0 3 247.314 0.051 20 0 BCADHN CO[C@H](CNCc1c[nH]cn1)[C@H]1CCOC1 ZINC000895226288 583628718 /nfs/dbraw/zinc/62/87/18/583628718.db2.gz OKMZLOGNCNHYEN-GXSJLCMTSA-N 0 3 225.292 0.551 20 0 BCADHN CO[C@H](CNCc1cnc[nH]1)[C@H]1CCOC1 ZINC000895226288 583628720 /nfs/dbraw/zinc/62/87/20/583628720.db2.gz OKMZLOGNCNHYEN-GXSJLCMTSA-N 0 3 225.292 0.551 20 0 BCADHN C[C@@H]1CN(C(=S)NCCN(C)C)CCCO1 ZINC000727284580 583629135 /nfs/dbraw/zinc/62/91/35/583629135.db2.gz NMNQEGUKGRXMFS-SNVBAGLBSA-N 0 3 245.392 0.533 20 0 BCADHN COC[C@@H](C)NCC[S@](=O)C(F)(F)F ZINC000895256874 583633892 /nfs/dbraw/zinc/63/38/92/583633892.db2.gz MWPKUHNUWUSFJH-RCNPXXIZSA-N 0 3 233.255 0.879 20 0 BCADHN Cc1ncoc1CN(C)CC1CN(C)C1 ZINC000895258758 583634638 /nfs/dbraw/zinc/63/46/38/583634638.db2.gz GULYNGCOFSXSAM-UHFFFAOYSA-N 0 3 209.293 0.976 20 0 BCADHN COCC(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000895277712 583636135 /nfs/dbraw/zinc/63/61/35/583636135.db2.gz MCQVFVPQJINTJH-LLVKDONJSA-N 0 3 249.314 0.765 20 0 BCADHN C[C@]1(Br)C[C@@H]1CN[C@H]1CCNC1=O ZINC000895301824 583644426 /nfs/dbraw/zinc/64/44/26/583644426.db2.gz NPLMHOVOSPKERK-FJXKBIBVSA-N 0 3 247.136 0.638 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1N[C@@H]1CCCOC1 ZINC000895315392 583647965 /nfs/dbraw/zinc/64/79/65/583647965.db2.gz GHEQUNZSBSRFPN-BDAKNGLRSA-N 0 3 212.293 0.280 20 0 BCADHN CCOC[C@H](C)N[C@@H]1C(=O)NCC1(C)C ZINC000895315803 583648703 /nfs/dbraw/zinc/64/87/03/583648703.db2.gz KDTBKHCIPKWHDY-DTWKUNHWSA-N 0 3 214.309 0.526 20 0 BCADHN CCOC[C@@H](C)N[C@@H]1C(=O)NCC1(C)C ZINC000895315805 583648759 /nfs/dbraw/zinc/64/87/59/583648759.db2.gz KDTBKHCIPKWHDY-RKDXNWHRSA-N 0 3 214.309 0.526 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NCC1=CCCOC1 ZINC000895316260 583648802 /nfs/dbraw/zinc/64/88/02/583648802.db2.gz NZTMFSZCAQJORR-SNVBAGLBSA-N 0 3 224.304 0.447 20 0 BCADHN Cn1ccc(CN[C@H]2C(=O)NCC2(C)C)c1 ZINC000895315946 583648900 /nfs/dbraw/zinc/64/89/00/583648900.db2.gz KOBZGLJYAPOCLU-JTQLQIEISA-N 0 3 221.304 0.639 20 0 BCADHN CCC[C@@H](CN[C@H]1C(=O)NCC1(C)C)OC ZINC000895319597 583649201 /nfs/dbraw/zinc/64/92/01/583649201.db2.gz DQLQRWFPKRIHPR-UWVGGRQHSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2C(=O)NCC2(C)C)CS1 ZINC000895321328 583649339 /nfs/dbraw/zinc/64/93/39/583649339.db2.gz MRVGCIVCSFXVTA-VGMNWLOBSA-N 0 3 228.361 0.995 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1N[C@@H]1COCC1(C)C ZINC000895321703 583649647 /nfs/dbraw/zinc/64/96/47/583649647.db2.gz PJJLXCFODQLUEF-BDAKNGLRSA-N 0 3 226.320 0.526 20 0 BCADHN CS[C@@H]1CC[C@H]1N[C@@H]1C(=O)NCC1(C)C ZINC000895322988 583649991 /nfs/dbraw/zinc/64/99/91/583649991.db2.gz XSUDLZWUEWRPFU-IWSPIJDZSA-N 0 3 228.361 0.995 20 0 BCADHN C[C@@]1(CO)C[C@@H](O)CN1Cc1ccc(=O)[nH]c1 ZINC000895324553 583650859 /nfs/dbraw/zinc/65/08/59/583650859.db2.gz LSRSSNPCEWTGQH-PWSUYJOCSA-N 0 3 238.287 0.105 20 0 BCADHN C[C@@H]1SCC[C@@H]1N[C@H]1C(=O)NCC1(C)C ZINC000895324607 583650981 /nfs/dbraw/zinc/65/09/81/583650981.db2.gz QPQWLJJCSZGKHD-CIUDSAMLSA-N 0 3 228.361 0.995 20 0 BCADHN Cc1occc1CN1C[C@@H](O)C[C@@]1(C)CO ZINC000895324796 583651177 /nfs/dbraw/zinc/65/11/77/583651177.db2.gz MQOMBUXXGWMGSX-RYUDHWBXSA-N 0 3 225.288 0.906 20 0 BCADHN C[C@]1(CO)C[C@H](O)CN1Cc1ccc(=O)[nH]c1 ZINC000895324549 583651218 /nfs/dbraw/zinc/65/12/18/583651218.db2.gz LSRSSNPCEWTGQH-CMPLNLGQSA-N 0 3 238.287 0.105 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H]1C(=O)NCC1(C)C ZINC000895326187 583651350 /nfs/dbraw/zinc/65/13/50/583651350.db2.gz VURYQNRPQUGJDP-DJLDLDEBSA-N 0 3 214.309 0.524 20 0 BCADHN Cc1ccoc1CN1C[C@H](O)C[C@]1(C)CO ZINC000895327456 583652142 /nfs/dbraw/zinc/65/21/42/583652142.db2.gz CLUBFKXPXVUDOX-ZYHUDNBSSA-N 0 3 225.288 0.906 20 0 BCADHN Cn1cccc1CN1C[C@H](O)C[C@]1(C)CO ZINC000895332275 583652401 /nfs/dbraw/zinc/65/24/01/583652401.db2.gz URUBKMLOLFTBOE-VXGBXAGGSA-N 0 3 224.304 0.343 20 0 BCADHN OC/C=C\CN[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895339378 583653087 /nfs/dbraw/zinc/65/30/87/583653087.db2.gz MTOYWRWBBUYERS-WQJDUCKJSA-N 0 3 245.294 0.758 20 0 BCADHN Cc1nnc(CN(C)CC2CN(C)C2)s1 ZINC000895361816 583660261 /nfs/dbraw/zinc/66/02/61/583660261.db2.gz FTBHTMWZTJDDGQ-UHFFFAOYSA-N 0 3 226.349 0.840 20 0 BCADHN C[C@H](CCO)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000895369321 583661100 /nfs/dbraw/zinc/66/11/00/583661100.db2.gz PLISSULUQAOEEZ-OPRDCNLKSA-N 0 3 235.349 0.313 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2c(C)ccnc2N)C1 ZINC000895379321 583662275 /nfs/dbraw/zinc/66/22/75/583662275.db2.gz UFCKDRMZVPKWMF-LLVKDONJSA-N 0 3 248.330 0.683 20 0 BCADHN CC(=O)OC[C@@H](C)NCCc1cncc(C)n1 ZINC000895402826 583665853 /nfs/dbraw/zinc/66/58/53/583665853.db2.gz IFBOSNFLQAIUNT-SNVBAGLBSA-N 0 3 237.303 0.869 20 0 BCADHN CO[C@H](C)CN1CCNC(=O)CC1(C)C ZINC000895399454 583666161 /nfs/dbraw/zinc/66/61/61/583666161.db2.gz CCJMPSQEPPGJNO-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1COCC1(C)C ZINC000895413582 583666376 /nfs/dbraw/zinc/66/63/76/583666376.db2.gz GVEGQIRPDLQGJA-BDAKNGLRSA-N 0 3 230.308 0.409 20 0 BCADHN Cc1ncoc1CNCCN1CC[C@H](O)C1 ZINC000895414088 583666414 /nfs/dbraw/zinc/66/64/14/583666414.db2.gz ALDAXFSLRQDVIG-JTQLQIEISA-N 0 3 225.292 0.139 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN[C@H]2C[C@H](OC)C2)C1(F)F ZINC000895414134 583666542 /nfs/dbraw/zinc/66/65/42/583666542.db2.gz KMIHKNHTGNKLNN-BGZDPUMWSA-N 0 3 249.257 0.808 20 0 BCADHN Cc1ccnc(N)c1CN[C@H]1C[C@@H](CO)C1 ZINC000895418363 583667660 /nfs/dbraw/zinc/66/76/60/583667660.db2.gz NEHKJNCMYOILGQ-AOOOYVTPSA-N 0 3 221.304 0.833 20 0 BCADHN CCO[C@@H]1C[C@H](NC[C@@H]2CC(C)=NO2)[C@H]1OC ZINC000895429514 583668998 /nfs/dbraw/zinc/66/89/98/583668998.db2.gz OTBODHHREOTBAA-NNYUYHANSA-N 0 3 242.319 0.933 20 0 BCADHN COCCOC[C@@H](C)N[C@H]1C(=O)NCC1(C)C ZINC000895432701 583671168 /nfs/dbraw/zinc/67/11/68/583671168.db2.gz DOFVJAVWPXQAKS-ZJUUUORDSA-N 0 3 244.335 0.152 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC[C@H]2COC(C)(C)O2)C1 ZINC000895433809 583671782 /nfs/dbraw/zinc/67/17/82/583671782.db2.gz OZYBGFJRNDYABQ-AEJSXWLSSA-N 0 3 243.303 0.679 20 0 BCADHN COCCn1cc(CNCC2CSC2)cn1 ZINC000895421352 583672883 /nfs/dbraw/zinc/67/28/83/583672883.db2.gz HNBOTLZGXRCDNM-UHFFFAOYSA-N 0 3 241.360 0.982 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN[C@H]2CCC[C@@H]2O)C1(F)F ZINC000895449823 583675551 /nfs/dbraw/zinc/67/55/51/583675551.db2.gz OQRRWLJZJLWWLU-JBDRJPRFSA-N 0 3 249.257 0.544 20 0 BCADHN CCCONC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000895513500 583682277 /nfs/dbraw/zinc/68/22/77/583682277.db2.gz JFNNPWOANMXOCI-ZJUUUORDSA-N 0 3 227.308 0.674 20 0 BCADHN C[C@H]1CO[C@@H](C(=O)NC2CCN(C)CC2)C1 ZINC000895522041 583686355 /nfs/dbraw/zinc/68/63/55/583686355.db2.gz PBKGBNCNTRSPAJ-MWLCHTKSSA-N 0 3 226.320 0.622 20 0 BCADHN COc1ccc(CN(CCO)CCO)c(C)c1 ZINC000895540076 583687549 /nfs/dbraw/zinc/68/75/49/583687549.db2.gz AURCFNHMOVIHEO-UHFFFAOYSA-N 0 3 239.315 0.790 20 0 BCADHN OC[C@H](CNCc1c[nH]cn1)Cc1ccoc1 ZINC000895585992 583694517 /nfs/dbraw/zinc/69/45/17/583694517.db2.gz OHWTZIWNQTTZQR-NSHDSACASA-N 0 3 235.287 0.944 20 0 BCADHN OC[C@H](CNCc1cnc[nH]1)Cc1ccoc1 ZINC000895585992 583694518 /nfs/dbraw/zinc/69/45/18/583694518.db2.gz OHWTZIWNQTTZQR-NSHDSACASA-N 0 3 235.287 0.944 20 0 BCADHN CCN1CC[C@@H]1CNCc1cn2cccnc2n1 ZINC000895670840 583706229 /nfs/dbraw/zinc/70/62/29/583706229.db2.gz GZCSMURVFNPOSC-GFCCVEGCSA-N 0 3 245.330 0.913 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1C[C@H](C)CO1)N(C)C ZINC000895679630 583708383 /nfs/dbraw/zinc/70/83/83/583708383.db2.gz HGODGZBERDUBOL-LPEHRKFASA-N 0 3 214.309 0.478 20 0 BCADHN C[C@H](CNC(=O)c1cncc2[nH]cnc21)N(C)C ZINC000895681594 583709151 /nfs/dbraw/zinc/70/91/51/583709151.db2.gz RXHURIKHUKHFCV-MRVPVSSYSA-N 0 3 247.302 0.638 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CCC[C@@H]2CCO2)C1 ZINC000895702556 583709350 /nfs/dbraw/zinc/70/93/50/583709350.db2.gz QJPRLTOYHSBHTN-ZYHUDNBSSA-N 0 3 243.303 0.165 20 0 BCADHN C[C@H](CNC(=O)[C@H]1CCCN1C)N1CCCC1 ZINC000895685130 583709489 /nfs/dbraw/zinc/70/94/89/583709489.db2.gz KDUVPXSWGBIIQB-VXGBXAGGSA-N 0 3 239.363 0.681 20 0 BCADHN Cc1nnc2cc(N[C@H]3CCN(C)[C@@H]3C)ncn12 ZINC000895740517 583714317 /nfs/dbraw/zinc/71/43/17/583714317.db2.gz OCJZQYKHEWQZCC-SCZZXKLOSA-N 0 3 246.318 0.937 20 0 BCADHN CO[C@@H](C)CNC(=O)NCCN1CC[C@H](C)C1 ZINC000895742671 583714798 /nfs/dbraw/zinc/71/47/98/583714798.db2.gz ZIIMOKHDIQDYCS-QWRGUYRKSA-N 0 3 243.351 0.662 20 0 BCADHN CO[C@H](C)CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000895745636 583716108 /nfs/dbraw/zinc/71/61/08/583716108.db2.gz FXOPLXQLBMNQDR-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN CO[C@H](C)CNC(=O)NCCN1CCC[C@H]1C ZINC000895746287 583716506 /nfs/dbraw/zinc/71/65/06/583716506.db2.gz KEDBEWNLEIKEAA-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H]1[C@@H](Nc2cc(C(N)=O)ncn2)CCN1C ZINC000895734923 583716935 /nfs/dbraw/zinc/71/69/35/583716935.db2.gz BACYQOROJIZJCF-YUMQZZPRSA-N 0 3 235.291 0.080 20 0 BCADHN C[C@@H]1[C@@H](Nc2cnc(CO)cn2)CCN1C ZINC000895738033 583717827 /nfs/dbraw/zinc/71/78/27/583717827.db2.gz SHGSCWXTZUECDZ-SCZZXKLOSA-N 0 3 222.292 0.473 20 0 BCADHN C[C@H]1[C@@H](Nc2nccnc2C(N)=O)CCN1C ZINC000895735836 583718044 /nfs/dbraw/zinc/71/80/44/583718044.db2.gz FRNOBXFHCREOCY-YUMQZZPRSA-N 0 3 235.291 0.080 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](N[C@@H](C)C(OC)OC)C1 ZINC000895789565 583727613 /nfs/dbraw/zinc/72/76/13/583727613.db2.gz KJOUPXZLCGVUKR-IVZWLZJFSA-N 0 3 245.319 0.925 20 0 BCADHN COCCOC[C@@H](C)N[C@H](C)C(OC)OC ZINC000895787631 583727829 /nfs/dbraw/zinc/72/78/29/583727829.db2.gz UJHGWZMTYBYHRA-NXEZZACHSA-N 0 3 235.324 0.635 20 0 BCADHN Cc1nc[nH]c1C(=O)NCCNc1ccncc1 ZINC000895799976 583730876 /nfs/dbraw/zinc/73/08/76/583730876.db2.gz WJEDPTFPQPSIRU-UHFFFAOYSA-N 0 3 245.286 0.377 20 0 BCADHN COC1CC(NCc2n[nH]c(CSC)n2)C1 ZINC000895817393 583733937 /nfs/dbraw/zinc/73/39/37/583733937.db2.gz IYNFTJMPHMJDTM-UHFFFAOYSA-N 0 3 242.348 0.935 20 0 BCADHN COC1CC(NCc2nc(CSC)n[nH]2)C1 ZINC000895817393 583733939 /nfs/dbraw/zinc/73/39/39/583733939.db2.gz IYNFTJMPHMJDTM-UHFFFAOYSA-N 0 3 242.348 0.935 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N2CC[C@H]2CO)C1 ZINC000895840381 583734653 /nfs/dbraw/zinc/73/46/53/583734653.db2.gz GEIZGCVINSHFSN-MNOVXSKESA-N 0 3 241.335 0.247 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000895875707 583738056 /nfs/dbraw/zinc/73/80/56/583738056.db2.gz NHIOLDARSFQNKO-HOSYDEDBSA-N 0 3 238.331 0.764 20 0 BCADHN CCNC(=S)NC[C@@H]1CCCN1CCOC ZINC000727702971 583741714 /nfs/dbraw/zinc/74/17/14/583741714.db2.gz HKYLRLGMLSMRBE-JTQLQIEISA-N 0 3 245.392 0.581 20 0 BCADHN Clc1cc2c([n-]1)nc[nH+]c2N1CCOCN1 ZINC000895924792 583747163 /nfs/dbraw/zinc/74/71/63/583747163.db2.gz YLUQHARTIBUAPW-UHFFFAOYSA-N 0 3 239.666 0.862 20 0 BCADHN Clc1cc2c(ncnc2N2CCOCN2)[nH]1 ZINC000895924792 583747164 /nfs/dbraw/zinc/74/71/64/583747164.db2.gz YLUQHARTIBUAPW-UHFFFAOYSA-N 0 3 239.666 0.862 20 0 BCADHN COCC1CN(C[C@]2(OC)CCOC2)C1 ZINC000895969459 583755091 /nfs/dbraw/zinc/75/50/91/583755091.db2.gz AWOFFYXUJLPAMX-LLVKDONJSA-N 0 3 215.293 0.370 20 0 BCADHN C[C@H]1COCC[C@H]1N[C@H]1CS(=O)(=O)C1(C)C ZINC000895982833 583758315 /nfs/dbraw/zinc/75/83/15/583758315.db2.gz GMHDVIOZYYGKPD-AEJSXWLSSA-N 0 3 247.360 0.577 20 0 BCADHN CCO[C@H](CNc1ncc(F)cn1)CN(C)C ZINC000896112624 583771325 /nfs/dbraw/zinc/77/13/25/583771325.db2.gz MOLWAHWPABYKSH-SNVBAGLBSA-N 0 3 242.298 0.994 20 0 BCADHN CCO[C@@H](CNc1cc(=O)[n-]cn1)C[NH+](C)C ZINC000896111568 583771592 /nfs/dbraw/zinc/77/15/92/583771592.db2.gz ZMXXWHKXUNXYTK-VIFPVBQESA-N 0 3 240.307 0.561 20 0 BCADHN CCO[C@@H](CNc1ncccn1)CN(C)C ZINC000896114329 583772460 /nfs/dbraw/zinc/77/24/60/583772460.db2.gz YPKVNEFANLCFEP-JTQLQIEISA-N 0 3 224.308 0.855 20 0 BCADHN CCN1CC[C@H]1CN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000883355047 583777680 /nfs/dbraw/zinc/77/76/80/583777680.db2.gz HSQPPRXLCPEOGY-UWVGGRQHSA-N 0 3 236.319 0.927 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCn2cncc21 ZINC000857984451 588928728 /nfs/dbraw/zinc/92/87/28/588928728.db2.gz BHBURAQLFSVLHT-JTQLQIEISA-N 0 3 236.319 0.786 20 0 BCADHN Cn1cnc(C(=O)NCCN2CCCC2)c1 ZINC000149828120 583789011 /nfs/dbraw/zinc/78/90/11/583789011.db2.gz NOHDCFDXEZUSGS-UHFFFAOYSA-N 0 3 222.292 0.246 20 0 BCADHN CN1CC[C@H](c2nc(-c3cc(N)ncn3)no2)C1 ZINC000896336672 583792589 /nfs/dbraw/zinc/79/25/89/583792589.db2.gz RVTBYAXDFRXMPU-ZETCQYMHSA-N 0 3 246.274 0.528 20 0 BCADHN c1ncc(CN2CC[C@H](C3OCCO3)C2)cn1 ZINC000896383424 583798038 /nfs/dbraw/zinc/79/80/38/583798038.db2.gz BCBFTLWHPGCOLO-NSHDSACASA-N 0 3 235.287 0.671 20 0 BCADHN Cc1cc(NCCO[C@@H]2CCOC2)nc(N)n1 ZINC000896472309 583802944 /nfs/dbraw/zinc/80/29/44/583802944.db2.gz NEPQMECKNLVMDR-SECBINFHSA-N 0 3 238.291 0.585 20 0 BCADHN CCOCCOCCNc1nc(C)cc(N)n1 ZINC000896481094 583805589 /nfs/dbraw/zinc/80/55/89/583805589.db2.gz JVVCJSYLNUFFOV-UHFFFAOYSA-N 0 3 240.307 0.832 20 0 BCADHN COc1cc(CN2CCNC[C@H]2C(F)F)on1 ZINC000883428097 583808353 /nfs/dbraw/zinc/80/83/53/583808353.db2.gz LMZPIVMRKHHSME-QMMMGPOBSA-N 0 3 247.245 0.722 20 0 BCADHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1C)C(C)(C)O ZINC000896616559 583817828 /nfs/dbraw/zinc/81/78/28/583817828.db2.gz FTBOOGIGXDWIMU-UTLUCORTSA-N 0 3 243.351 0.538 20 0 BCADHN CCN(CCC(N)=O)C[C@H]1COC(C)(C)O1 ZINC000896707007 583823552 /nfs/dbraw/zinc/82/35/52/583823552.db2.gz NHIYPAPJPOSSOE-VIFPVBQESA-N 0 3 230.308 0.335 20 0 BCADHN C[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C)CCN1C ZINC000896667631 583821882 /nfs/dbraw/zinc/82/18/82/583821882.db2.gz JOVSNKZHUWBVRA-TUAOUCFPSA-N 0 3 239.363 0.680 20 0 BCADHN CN(C)CC1CCN(CCS(C)(=O)=O)CC1 ZINC000727933277 583837919 /nfs/dbraw/zinc/83/79/19/583837919.db2.gz QNMZTSJJGNONGX-UHFFFAOYSA-N 0 3 248.392 0.305 20 0 BCADHN COCC[C@@H](CO)NCc1ccnc(F)c1 ZINC000858161915 588936036 /nfs/dbraw/zinc/93/60/36/588936036.db2.gz HJKQRVLSLJIFKP-JTQLQIEISA-N 0 3 228.267 0.708 20 0 BCADHN CO[C@@](C)(CO)CNCc1ccnc(F)c1 ZINC000858186206 588937701 /nfs/dbraw/zinc/93/77/01/588937701.db2.gz UMZAOLNWVJZETJ-LLVKDONJSA-N 0 3 228.267 0.708 20 0 BCADHN CN1CCN(C)CCN(c2cnccn2)CC1 ZINC000897095041 583879308 /nfs/dbraw/zinc/87/93/08/583879308.db2.gz OVHWPFCHKBWGAS-UHFFFAOYSA-N 0 3 235.335 0.160 20 0 BCADHN OCCN1CCC[C@@H]2[C@@H]1CCN2c1cnccn1 ZINC000897218807 583896922 /nfs/dbraw/zinc/89/69/22/583896922.db2.gz GVUFGEJYSNLGED-NWDGAFQWSA-N 0 3 248.330 0.512 20 0 BCADHN OCCN1CCC[C@@H]2[C@H]1CCN2c1cccnn1 ZINC000897221019 583897168 /nfs/dbraw/zinc/89/71/68/583897168.db2.gz GAIOXPGBRKAUSF-VXGBXAGGSA-N 0 3 248.330 0.512 20 0 BCADHN COc1cncc(CN[C@H]2C[C@H](C(N)=O)C2)c1 ZINC000858247097 588940269 /nfs/dbraw/zinc/94/02/69/588940269.db2.gz PMGNNEDTRMCSMQ-MGCOHNPYSA-N 0 3 235.287 0.444 20 0 BCADHN CC[C@H](C)[C@H](NCCn1ccnc1)C(N)=O ZINC000148280844 583906341 /nfs/dbraw/zinc/90/63/41/583906341.db2.gz CWVHEYJVJNVNGV-UWVGGRQHSA-N 0 3 224.308 0.373 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@H]1CCCN1C ZINC000897287933 583910489 /nfs/dbraw/zinc/91/04/89/583910489.db2.gz NOKOBPCFXUYQQI-QJPTWQEYSA-N 0 3 239.363 0.632 20 0 BCADHN CCC[C@@H](CNC[C@H](O)c1ccnn1C)OC ZINC000897302492 583912302 /nfs/dbraw/zinc/91/23/02/583912302.db2.gz OVMKELVUVNWDSF-JQWIXIFHSA-N 0 3 241.335 0.858 20 0 BCADHN CO[C@H](CNC[C@@H](O)c1ccnn1C)C1CC1 ZINC000897302101 583912435 /nfs/dbraw/zinc/91/24/35/583912435.db2.gz ZKUGRTMLAXTZJA-VXGBXAGGSA-N 0 3 239.319 0.468 20 0 BCADHN COCCOC[C@@H](C)NCc1cncc(O)c1 ZINC000897304900 583912932 /nfs/dbraw/zinc/91/29/32/583912932.db2.gz KWBHTNBDVDKKGZ-SNVBAGLBSA-N 0 3 240.303 0.928 20 0 BCADHN COCCOC[C@@H](C)[NH2+]Cc1cncc([O-])c1 ZINC000897304900 583912933 /nfs/dbraw/zinc/91/29/33/583912933.db2.gz KWBHTNBDVDKKGZ-SNVBAGLBSA-N 0 3 240.303 0.928 20 0 BCADHN Cc1ccc(CNCCN2CC[C@@H](O)C2)cn1 ZINC000858297184 588942733 /nfs/dbraw/zinc/94/27/33/588942733.db2.gz AGEDGEJOCMTRIG-CYBMUJFWSA-N 0 3 235.331 0.546 20 0 BCADHN NC(=O)[C@@H]1CCCN(c2ccnc(CO)c2)C1 ZINC000858314974 588944427 /nfs/dbraw/zinc/94/44/27/588944427.db2.gz DCUXLZPLMWOQGK-SECBINFHSA-N 0 3 235.287 0.276 20 0 BCADHN Nc1nc(N)nc(NC[C@@H]2CC2(Cl)Cl)n1 ZINC000858320850 588945032 /nfs/dbraw/zinc/94/50/32/588945032.db2.gz KTWDZHLDYHZEIQ-VKHMYHEASA-N 0 3 249.105 0.642 20 0 BCADHN CON(C)C(=O)[C@H](C)NC[C@@H]1CCCOC1 ZINC000858319299 588945038 /nfs/dbraw/zinc/94/50/38/588945038.db2.gz FVPNRZFXYFKJKZ-UWVGGRQHSA-N 0 3 230.308 0.411 20 0 BCADHN CO[C@H]1CCN(CCN2CCOC2=O)[C@H](C)C1 ZINC000799344517 583959137 /nfs/dbraw/zinc/95/91/37/583959137.db2.gz XYMYQGJAKOJKBD-MNOVXSKESA-N 0 3 242.319 0.938 20 0 BCADHN C[C@H]1CO[C@H](C(=O)N(CCN(C)C)C2CC2)C1 ZINC000897422536 583964581 /nfs/dbraw/zinc/96/45/81/583964581.db2.gz DBIPKSCGXQVYEC-PWSUYJOCSA-N 0 3 240.347 0.964 20 0 BCADHN O[C@@H](CNCc1cn[nH]c1)[C@H]1CCCO1 ZINC000858226302 588939040 /nfs/dbraw/zinc/93/90/40/588939040.db2.gz MIHYGTXVYYGHLI-VHSXEESVSA-N 0 3 211.265 0.039 20 0 BCADHN C[C@@H](CO)NC(=O)NCCN1CC[C@@H](C)C1 ZINC000897428080 583972710 /nfs/dbraw/zinc/97/27/10/583972710.db2.gz CUBPJPAJJGYKHI-ZJUUUORDSA-N 0 3 229.324 0.008 20 0 BCADHN C[C@@H](CO)NC(=O)NCCN1CC[C@H](C)C1 ZINC000897428078 583972760 /nfs/dbraw/zinc/97/27/60/583972760.db2.gz CUBPJPAJJGYKHI-UWVGGRQHSA-N 0 3 229.324 0.008 20 0 BCADHN Cc1nc[nH]c1C(=O)NCCN1CCC[C@H]1C ZINC000897429222 583973171 /nfs/dbraw/zinc/97/31/71/583973171.db2.gz AEBIMBZHGGFHEL-SECBINFHSA-N 0 3 236.319 0.932 20 0 BCADHN CCON(CC)C(=O)CN[C@@H]1CO[C@H](CC)C1 ZINC000858223451 588939557 /nfs/dbraw/zinc/93/95/57/588939557.db2.gz SFPVJCKRYBVHIJ-WDEREUQCSA-N 0 3 244.335 0.944 20 0 BCADHN O[C@@H](CNCc1ccnc(F)c1)[C@H]1CCCO1 ZINC000858227390 588939591 /nfs/dbraw/zinc/93/95/91/588939591.db2.gz UIAFTZSQJXGXTE-WDEREUQCSA-N 0 3 240.278 0.850 20 0 BCADHN C[C@@H](CO)N(C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000897441397 583984844 /nfs/dbraw/zinc/98/48/44/583984844.db2.gz DOVFWTJNHNQDGN-MNOVXSKESA-N 0 3 243.351 0.350 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)N[C@H]2C[C@@H](O)C2)C1 ZINC000897461843 583988616 /nfs/dbraw/zinc/98/86/16/583988616.db2.gz ZCMBHTJYYHKYBY-MXWKQRLJSA-N 0 3 241.335 0.151 20 0 BCADHN C[C@H]1CCN(CCNC(=O)NC/C=C/CO)C1 ZINC000897464299 583988644 /nfs/dbraw/zinc/98/86/44/583988644.db2.gz GTTGIGXOPYXXES-VUDBWIFFSA-N 0 3 241.335 0.176 20 0 BCADHN C[C@H]1CCN(CCNC(=O)N[C@H]2C[C@@H](O)C2)C1 ZINC000897461842 583988893 /nfs/dbraw/zinc/98/88/93/583988893.db2.gz ZCMBHTJYYHKYBY-GARJFASQSA-N 0 3 241.335 0.151 20 0 BCADHN Cc1ccc(CNCCN2CC[C@H](O)C2)cn1 ZINC000858340123 588946948 /nfs/dbraw/zinc/94/69/48/588946948.db2.gz AGEDGEJOCMTRIG-ZDUSSCGKSA-N 0 3 235.331 0.546 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)NCCCO ZINC000897471106 583990789 /nfs/dbraw/zinc/99/07/89/583990789.db2.gz KMTLOSZUUABUJF-JTQLQIEISA-N 0 3 229.324 0.152 20 0 BCADHN C[C@H](CO)N(C)C(=O)NCCN1CCC[C@H]1C ZINC000897490100 583994433 /nfs/dbraw/zinc/99/44/33/583994433.db2.gz BCRIBGBWAHXBKT-GHMZBOCLSA-N 0 3 243.351 0.493 20 0 BCADHN C[C@H](O)CN(C)C(=O)NCCN1CCC[C@H]1C ZINC000897491557 583996122 /nfs/dbraw/zinc/99/61/22/583996122.db2.gz WYHAQFJCAKUOBZ-MNOVXSKESA-N 0 3 243.351 0.493 20 0 BCADHN C[C@H](O)CNC(=O)NCCN1CCC[C@@H]1C ZINC000897495461 583996424 /nfs/dbraw/zinc/99/64/24/583996424.db2.gz XNBMYTCNHKCULI-UWVGGRQHSA-N 0 3 229.324 0.151 20 0 BCADHN C[C@@H](O)CNC(=O)NCCN1CCC[C@@H]1C ZINC000897498751 583997409 /nfs/dbraw/zinc/99/74/09/583997409.db2.gz XNBMYTCNHKCULI-VHSXEESVSA-N 0 3 229.324 0.151 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)NCCF ZINC000897501469 583997796 /nfs/dbraw/zinc/99/77/96/583997796.db2.gz VBUIVRCINAXHFI-VIFPVBQESA-N 0 3 217.288 0.739 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)N(C)CCCO ZINC000897501499 583997830 /nfs/dbraw/zinc/99/78/30/583997830.db2.gz VKHGTVCYSAVPBD-NSHDSACASA-N 0 3 243.351 0.495 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1ccc(C(F)F)nc1 ZINC000864052136 583999520 /nfs/dbraw/zinc/99/95/20/583999520.db2.gz BIPNCRRQBUXVAJ-XVKPBYJWSA-N 0 3 246.257 0.851 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)NC1(C)COC1 ZINC000897519402 584000020 /nfs/dbraw/zinc/00/00/20/584000020.db2.gz SCBILHFZALGXHG-SNVBAGLBSA-N 0 3 241.335 0.559 20 0 BCADHN CCn1cnnc1CNc1ccnc(CO)c1 ZINC000858352114 588948360 /nfs/dbraw/zinc/94/83/60/588948360.db2.gz SQZATKYUJOANJF-UHFFFAOYSA-N 0 3 233.275 0.797 20 0 BCADHN C[C@H]1CC[C@@H](CNCCS(C)(=O)=O)O1 ZINC000148586195 584009823 /nfs/dbraw/zinc/00/98/23/584009823.db2.gz NNCYGQVJUOMUEW-IUCAKERBSA-N 0 3 221.322 0.188 20 0 BCADHN CN(CCCO)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897667690 584035166 /nfs/dbraw/zinc/03/51/66/584035166.db2.gz UODPTURWIHMOPC-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@H](C)CO1 ZINC000897760086 584044305 /nfs/dbraw/zinc/04/43/05/584044305.db2.gz HQMHHLZTAWZBCR-GUBZILKMSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@@H]1CN(CCn2cccn2)CCN1C ZINC000729927916 584029358 /nfs/dbraw/zinc/02/93/58/584029358.db2.gz OCESWZRZAQWNNF-LLVKDONJSA-N 0 3 208.309 0.519 20 0 BCADHN CN1CCC[C@@H](NC(=O)/C=C/c2cnccn2)C1 ZINC000729920554 584029448 /nfs/dbraw/zinc/02/94/48/584029448.db2.gz IWDYUXYLZHYCQU-ZYOFXKKJSA-N 0 3 246.314 0.700 20 0 BCADHN NC(=O)[C@]12CCC[C@H]1CN(Cc1cnccn1)C2 ZINC000897623326 584032487 /nfs/dbraw/zinc/03/24/87/584032487.db2.gz CAEGKLAQZCWEBV-GWCFXTLKSA-N 0 3 246.314 0.564 20 0 BCADHN C[C@H]1CN(Cc2c3c(nn2C)CCC3)C[C@H]1O ZINC000897676576 584036476 /nfs/dbraw/zinc/03/64/76/584036476.db2.gz SCIUSSHGZUDJEP-TVQRCGJNSA-N 0 3 235.331 0.721 20 0 BCADHN CC[S@@](=O)CCNc1ccnc(CO)c1 ZINC000858405756 588951322 /nfs/dbraw/zinc/95/13/22/588951322.db2.gz QCTBXRJAAQBUGD-OAHLLOKOSA-N 0 3 228.317 0.754 20 0 BCADHN C[C@H]1CN(Cc2cnn3c2CCC3)C[C@H]1O ZINC000897680137 584037845 /nfs/dbraw/zinc/03/78/45/584037845.db2.gz PSDOIYGUFATSGS-JOYOIKCWSA-N 0 3 221.304 0.642 20 0 BCADHN C[C@@H]1CN(Cc2cnn3c2CCC3)C[C@H]1O ZINC000897680135 584038665 /nfs/dbraw/zinc/03/86/65/584038665.db2.gz PSDOIYGUFATSGS-BXKDBHETSA-N 0 3 221.304 0.642 20 0 BCADHN C=Cn1cc(CN2C[C@H](C)[C@H](O)C2)cn1 ZINC000897681049 584039217 /nfs/dbraw/zinc/03/92/17/584039217.db2.gz YIELGDNYTYQQKI-GXSJLCMTSA-N 0 3 207.277 0.796 20 0 BCADHN C=Cn1cc(CN2C[C@@H](C)[C@@H](O)C2)cn1 ZINC000897681050 584039715 /nfs/dbraw/zinc/03/97/15/584039715.db2.gz YIELGDNYTYQQKI-KOLCDFICSA-N 0 3 207.277 0.796 20 0 BCADHN Cc1cnn(C)c1CN1C[C@@H](C)[C@H](O)C1 ZINC000897681060 584039751 /nfs/dbraw/zinc/03/97/51/584039751.db2.gz YJFTXAUMVGGTFL-MWLCHTKSSA-N 0 3 209.293 0.541 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000897684211 584040126 /nfs/dbraw/zinc/04/01/26/584040126.db2.gz LESWFYMJBIDEND-PELKAZGASA-N 0 3 222.288 0.908 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)n1 ZINC000897684211 584040128 /nfs/dbraw/zinc/04/01/28/584040128.db2.gz LESWFYMJBIDEND-PELKAZGASA-N 0 3 222.288 0.908 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@@H](C)CO1 ZINC000897760087 584044510 /nfs/dbraw/zinc/04/45/10/584044510.db2.gz HQMHHLZTAWZBCR-KXUCPTDWSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@H](C)CO1 ZINC000897760088 584044567 /nfs/dbraw/zinc/04/45/67/584044567.db2.gz HQMHHLZTAWZBCR-LPEHRKFASA-N 0 3 214.309 0.478 20 0 BCADHN CC(=O)OC[C@@H](C)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897807884 584049769 /nfs/dbraw/zinc/04/97/69/584049769.db2.gz APFFXTXYBNGSHM-AAEQCHEDSA-N 0 3 225.288 0.703 20 0 BCADHN CN1CCN(C)CCN(Cc2ccoc2)CC1 ZINC000897857177 584050427 /nfs/dbraw/zinc/05/04/27/584050427.db2.gz VGKWMBPABOZAEO-UHFFFAOYSA-N 0 3 237.347 0.959 20 0 BCADHN CCC[C@@H](CN[C@@]1(C)CCNC1=O)OC ZINC000897868242 584055487 /nfs/dbraw/zinc/05/54/87/584055487.db2.gz GYUHRNNOMYBDQZ-ONGXEEELSA-N 0 3 214.309 0.670 20 0 BCADHN CO[C@@H]1CCOC[C@H]1NCc1ccc(=O)[nH]c1 ZINC000897890550 584057967 /nfs/dbraw/zinc/05/79/67/584057967.db2.gz SAPJXJPLQVYFQD-GHMZBOCLSA-N 0 3 238.287 0.681 20 0 BCADHN C[C@@H](CC(N)=O)Nc1ccnc(CO)c1 ZINC000858421594 588953525 /nfs/dbraw/zinc/95/35/25/588953525.db2.gz CFKCDXQKMSMVMK-ZETCQYMHSA-N 0 3 209.249 0.250 20 0 BCADHN C[C@H]1CO[C@H](C(=O)NCC2(N(C)C)CC2)C1 ZINC000897989331 584071965 /nfs/dbraw/zinc/07/19/65/584071965.db2.gz JXWOVMQZPIHDFV-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN COc1nn(C)cc1CN[C@H]1CCOC[C@H]1C ZINC000898025470 584076245 /nfs/dbraw/zinc/07/62/45/584076245.db2.gz HOTKKKNUHNUERX-KOLCDFICSA-N 0 3 239.319 0.943 20 0 BCADHN COC[C@H](C)CNCc1cn(C)nc1OC ZINC000898026397 584076517 /nfs/dbraw/zinc/07/65/17/584076517.db2.gz VVKWCTHHTBHLRT-SECBINFHSA-N 0 3 227.308 0.801 20 0 BCADHN COc1nn(C)cc1CNC[C@@H]1CCCOC1 ZINC000898028997 584076883 /nfs/dbraw/zinc/07/68/83/584076883.db2.gz CDDHGKVFKBEFSH-JTQLQIEISA-N 0 3 239.319 0.945 20 0 BCADHN O[C@@H](CCNCc1cncnc1)C1CC1 ZINC000898206663 584091540 /nfs/dbraw/zinc/09/15/40/584091540.db2.gz RYIBTXCMRJEJJE-NSHDSACASA-N 0 3 207.277 0.727 20 0 BCADHN C[C@@H](C[S@](C)=O)Nc1ccnc(CO)c1 ZINC000858482956 588959387 /nfs/dbraw/zinc/95/93/87/588959387.db2.gz XZFSCFOHMUIIQW-AYVTZFPOSA-N 0 3 228.317 0.753 20 0 BCADHN CN(c1ccnc(CO)c1)C1CC(O)C1 ZINC000858481955 588959423 /nfs/dbraw/zinc/95/94/23/588959423.db2.gz QMETVZPZKDKFQV-UHFFFAOYSA-N 0 3 208.261 0.533 20 0 BCADHN O=C1C[C@]2(NCc3c[nH]cn3)CCCC[C@@H]2N1 ZINC000898463016 584138655 /nfs/dbraw/zinc/13/86/55/584138655.db2.gz NUEQVLRUADPMJB-CMPLNLGQSA-N 0 3 234.303 0.701 20 0 BCADHN O=C1C[C@]2(NCc3cnc[nH]3)CCCC[C@@H]2N1 ZINC000898463016 584138657 /nfs/dbraw/zinc/13/86/57/584138657.db2.gz NUEQVLRUADPMJB-CMPLNLGQSA-N 0 3 234.303 0.701 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CC(N2CCCC2)C1 ZINC000898598889 584144414 /nfs/dbraw/zinc/14/44/14/584144414.db2.gz FPPMWUQQIXNJRB-GFCCVEGCSA-N 0 3 237.347 0.387 20 0 BCADHN C[C@H](O)CNC(=O)NCCN1CCC(C)(C)C1 ZINC000898595187 584144452 /nfs/dbraw/zinc/14/44/52/584144452.db2.gz ZHYFXYGKONYCSY-JTQLQIEISA-N 0 3 243.351 0.398 20 0 BCADHN Cc1cc([C@@H](C)N[C@H]2C[C@H](C(N)=O)C2)n(C)n1 ZINC000858494634 588960660 /nfs/dbraw/zinc/96/06/60/588960660.db2.gz LSDVQSNRSGWPKZ-OPRDCNLKSA-N 0 3 236.319 0.643 20 0 BCADHN Cc1cccc(CO[N-]C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000898935097 584166861 /nfs/dbraw/zinc/16/68/61/584166861.db2.gz DZMJJCKJYPZXDG-NSHDSACASA-N 0 3 249.314 0.890 20 0 BCADHN Cc1cccc(CO[N-]C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC000898935097 584166862 /nfs/dbraw/zinc/16/68/62/584166862.db2.gz DZMJJCKJYPZXDG-NSHDSACASA-N 0 3 249.314 0.890 20 0 BCADHN C[N@@H+]1CCCC[C@@H]1CCC(=O)[N-]OCCO ZINC000898939697 584167295 /nfs/dbraw/zinc/16/72/95/584167295.db2.gz UZGUQSMAQATNJZ-SNVBAGLBSA-N 0 3 230.308 0.291 20 0 BCADHN C[N@H+]1CCCC[C@@H]1CCC(=O)[N-]OCCO ZINC000898939697 584167296 /nfs/dbraw/zinc/16/72/96/584167296.db2.gz UZGUQSMAQATNJZ-SNVBAGLBSA-N 0 3 230.308 0.291 20 0 BCADHN C/C=C\CNC(=O)C1CN(C2CCOCC2)C1 ZINC000899143181 584176969 /nfs/dbraw/zinc/17/69/69/584176969.db2.gz VTHGZXGSGJNHKR-IHWYPQMZSA-N 0 3 238.331 0.790 20 0 BCADHN C[C@@H]1CCN1C(=O)C1CN(C2CCOCC2)C1 ZINC000899199808 584180498 /nfs/dbraw/zinc/18/04/98/584180498.db2.gz IGLMDVWPRASQBS-SNVBAGLBSA-N 0 3 238.331 0.718 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000899222983 584184145 /nfs/dbraw/zinc/18/41/45/584184145.db2.gz BYWOVHXEQLONJM-GMTAPVOTSA-N 0 3 248.330 0.724 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000899222983 584184147 /nfs/dbraw/zinc/18/41/47/584184147.db2.gz BYWOVHXEQLONJM-GMTAPVOTSA-N 0 3 248.330 0.724 20 0 BCADHN CN(CC(=O)N1C[C@@H]2C[C@]2(O)C1)CC(C)(C)C ZINC000899223209 584184185 /nfs/dbraw/zinc/18/41/85/584184185.db2.gz QPCKRMBWTAVMHZ-GWCFXTLKSA-N 0 3 240.347 0.558 20 0 BCADHN CC1(C)CC[C@H]1Nc1nc(N)nc(N)n1 ZINC000858545093 588964284 /nfs/dbraw/zinc/96/42/84/588964284.db2.gz JRAIGNSYOIBFAB-RXMQYKEDSA-N 0 3 208.269 0.637 20 0 BCADHN c1cc(-c2cnc(N3CCNCC3)cn2)ccn1 ZINC000899318079 584196385 /nfs/dbraw/zinc/19/63/85/584196385.db2.gz UDOJISHBADVPLA-UHFFFAOYSA-N 0 3 241.298 0.948 20 0 BCADHN c1cc(-c2cnc(N3CCNCC3)cn2)n[nH]1 ZINC000899319102 584196785 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/nfs/dbraw/zinc/99/54/05/588995405.db2.gz ZBOVJJHTAFJVIA-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1nccnc1[C@H](C)NCCCON ZINC000902424756 584593716 /nfs/dbraw/zinc/59/37/16/584593716.db2.gz KQWKUCYDPYJLLF-QMMMGPOBSA-N 0 3 210.281 0.716 20 0 BCADHN C[C@H](N[C@H]1CNCCOC1)c1cncs1 ZINC000902457414 584609902 /nfs/dbraw/zinc/60/99/02/584609902.db2.gz RRBBBVNZLGJMNX-IUCAKERBSA-N 0 3 227.333 0.782 20 0 BCADHN CCN(CC(=O)NC)CC1CC(OC)C1 ZINC000859087814 588999608 /nfs/dbraw/zinc/99/96/08/588999608.db2.gz CQQWCXNBEXLVCP-UHFFFAOYSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1cn(C)nc1C1CC1 ZINC000902631428 584646760 /nfs/dbraw/zinc/64/67/60/584646760.db2.gz HPJIHVYAIZCRSA-KCJUWKMLSA-N 0 3 239.319 0.129 20 0 BCADHN CNc1ccc(C)cc1CNC[C@H](O)[C@@H](C)O ZINC000902632215 584647238 /nfs/dbraw/zinc/64/72/38/584647238.db2.gz MFHKFSGQBZYSJJ-MFKMUULPSA-N 0 3 238.331 0.868 20 0 BCADHN Nc1cnccc1CN[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902681878 584655334 /nfs/dbraw/zinc/65/53/34/584655334.db2.gz KREKWTWHKKBMGX-DTPMLBFTSA-N 0 3 231.299 0.929 20 0 BCADHN Nc1cnccc1CNCC[C@H](O)C1CC1 ZINC000902704370 584658992 /nfs/dbraw/zinc/65/89/92/584658992.db2.gz WRPIBDWPNIFGMT-LBPRGKRZSA-N 0 3 221.304 0.914 20 0 BCADHN CC1CCN(CCNC(=O)OC2COC2)CC1 ZINC000902802066 584670642 /nfs/dbraw/zinc/67/06/42/584670642.db2.gz YWJILNWGPHTDQL-UHFFFAOYSA-N 0 3 242.319 0.843 20 0 BCADHN C[C@H](CNC(=O)OC1COC1)N(C)C ZINC000902800081 584675144 /nfs/dbraw/zinc/67/51/44/584675144.db2.gz USKLZNMCZQZFMS-SSDOTTSWSA-N 0 3 202.254 0.062 20 0 BCADHN C[C@@H](CNC(=O)OC1COC1)N1CCCCC1 ZINC000902815927 584678402 /nfs/dbraw/zinc/67/84/02/584678402.db2.gz QTQDGAQAYYEAAF-JTQLQIEISA-N 0 3 242.319 0.986 20 0 BCADHN CC(C)(C)CCN1CCN(C(=O)CCO)CC1 ZINC000902816470 584678476 /nfs/dbraw/zinc/67/84/76/584678476.db2.gz KOQRAJBNYPURSZ-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN O=C(CCO)N1CC[C@H](N2CCCCC2)C1 ZINC000902852436 584678583 /nfs/dbraw/zinc/67/85/83/584678583.db2.gz TYNKBTKTZDPZJH-NSHDSACASA-N 0 3 226.320 0.456 20 0 BCADHN C[C@H](N[C@H]1CN(C2CC2)C[C@@H]1C)c1cn(C)nn1 ZINC000902836875 584679222 /nfs/dbraw/zinc/67/92/22/584679222.db2.gz ORRIBTGJAKROKL-NHCYSSNCSA-N 0 3 249.362 0.948 20 0 BCADHN C[C@H](N[C@H]1CN(C2CC2)C[C@H]1C)c1cn(C)nn1 ZINC000902836876 584679286 /nfs/dbraw/zinc/67/92/86/584679286.db2.gz ORRIBTGJAKROKL-SCVCMEIPSA-N 0 3 249.362 0.948 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)OC1COC1 ZINC000902839749 584679731 /nfs/dbraw/zinc/67/97/31/584679731.db2.gz JYHQWPYCXCRNLO-SECBINFHSA-N 0 3 228.292 0.548 20 0 BCADHN C[C@H]1C[C@@H](N(C)C(=O)OC2COC2)CCN1C ZINC000902874284 584684352 /nfs/dbraw/zinc/68/43/52/584684352.db2.gz DOPZEPVFNNFTHR-UWVGGRQHSA-N 0 3 242.319 0.936 20 0 BCADHN CN(C)CCN(C)C(=O)OC1COC1 ZINC000902887464 584688927 /nfs/dbraw/zinc/68/89/27/584688927.db2.gz CLIQRJRLHSXKTF-UHFFFAOYSA-N 0 3 202.254 0.015 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)OC2COC2)CN1C1CC1 ZINC000902896386 584691466 /nfs/dbraw/zinc/69/14/66/584691466.db2.gz DGUPLKKLMUVDDJ-RKDXNWHRSA-N 0 3 240.303 0.737 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)OC1COC1 ZINC000902900578 584693658 /nfs/dbraw/zinc/69/36/58/584693658.db2.gz REAMWGPPZDLHBV-LDYMZIIASA-N 0 3 240.303 0.594 20 0 BCADHN CN(C)C1(CNC(=O)OC2COC2)CCC1 ZINC000902924306 584697176 /nfs/dbraw/zinc/69/71/76/584697176.db2.gz HBGAIFZUSRBNMU-UHFFFAOYSA-N 0 3 228.292 0.596 20 0 BCADHN C[C@H]1[C@@H](NC(=O)C(=O)OC(C)(C)C)CCN1C ZINC000902928427 584697893 /nfs/dbraw/zinc/69/78/93/584697893.db2.gz LVPNUAHNBWCIOQ-IUCAKERBSA-N 0 3 242.319 0.537 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)Nc2nncs2)CCN1C ZINC000902930046 584698728 /nfs/dbraw/zinc/69/87/28/584698728.db2.gz ZJAKFTHLSLKSDP-RQJHMYQMSA-N 0 3 241.320 0.752 20 0 BCADHN CSC1(CNC(=O)CCO)CCN(C)CC1 ZINC000902935929 584700368 /nfs/dbraw/zinc/70/03/68/584700368.db2.gz CJKRQRCCRGEEMK-UHFFFAOYSA-N 0 3 246.376 0.312 20 0 BCADHN C[C@@H]1CN(c2ccncc2)CCN1C(=O)CCO ZINC000902967291 584702523 /nfs/dbraw/zinc/70/25/23/584702523.db2.gz FJXKDYFYIUYTQJ-LLVKDONJSA-N 0 3 249.314 0.501 20 0 BCADHN Cn1cc(CN[C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)nn1 ZINC000902947467 584703404 /nfs/dbraw/zinc/70/34/04/584703404.db2.gz JDGJNIDYUDEQBY-JZRPKSSGSA-N 0 3 248.330 0.718 20 0 BCADHN CC[C@H]1CN(C)CCCN1C(=O)OC1COC1 ZINC000902950145 584704299 /nfs/dbraw/zinc/70/42/99/584704299.db2.gz GYEHCBVDIFUROD-JTQLQIEISA-N 0 3 242.319 0.938 20 0 BCADHN O=C(CCO)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000902950643 584704377 /nfs/dbraw/zinc/70/43/77/584704377.db2.gz NPABTEPPSHPRMW-MNOVXSKESA-N 0 3 226.320 0.502 20 0 BCADHN CC(C)(C)N1CC[C@@H]1CNC(=O)CCO ZINC000902953185 584704773 /nfs/dbraw/zinc/70/47/73/584704773.db2.gz QTRQSJQXNXBCAV-SECBINFHSA-N 0 3 214.309 0.358 20 0 BCADHN CC(C)(C)N1CC[C@@H](NC(=O)OC2COC2)C1 ZINC000902953299 584704926 /nfs/dbraw/zinc/70/49/26/584704926.db2.gz SOTUGMKNOCJDMR-SECBINFHSA-N 0 3 242.319 0.984 20 0 BCADHN C[C@H](CN1CCC(C)CC1)NC(=O)CCO ZINC000902954770 584705124 /nfs/dbraw/zinc/70/51/24/584705124.db2.gz HBMSAUCYLYXJBB-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CC(=O)NCCCN1CCC[C@@H]2COC[C@@H]21 ZINC000902977795 584708098 /nfs/dbraw/zinc/70/80/98/584708098.db2.gz MNXDVYJDHJMTIG-NEPJUHHUSA-N 0 3 226.320 0.623 20 0 BCADHN Cn1ncc(CN[C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)n1 ZINC000902987697 584708753 /nfs/dbraw/zinc/70/87/53/584708753.db2.gz KBYFUKKPHFNMLY-KIJLLGNVSA-N 0 3 248.330 0.718 20 0 BCADHN C[C@@H](N[C@@H]1CCc2nc[nH]c2C1)c1cn(C)nn1 ZINC000902993957 584711824 /nfs/dbraw/zinc/71/18/24/584711824.db2.gz ZIOHEUGMHWWCDC-RKDXNWHRSA-N 0 3 246.318 0.746 20 0 BCADHN C[C@@H](N[C@@H]1CCc2[nH]cnc2C1)c1cn(C)nn1 ZINC000902993957 584711826 /nfs/dbraw/zinc/71/18/26/584711826.db2.gz ZIOHEUGMHWWCDC-RKDXNWHRSA-N 0 3 246.318 0.746 20 0 BCADHN CC[C@H](CO)N1CC[C@@H](Nc2ncccn2)C1 ZINC000903020134 584715188 /nfs/dbraw/zinc/71/51/88/584715188.db2.gz VWDGRMRELDMJOG-GHMZBOCLSA-N 0 3 236.319 0.734 20 0 BCADHN CC1(C)CCN(CCNC(=O)CCO)C1 ZINC000903036621 584719518 /nfs/dbraw/zinc/71/95/18/584719518.db2.gz MOWIBHKPEJVTLI-UHFFFAOYSA-N 0 3 214.309 0.217 20 0 BCADHN CC[C@H](O)CN1CC[C@@H](Nc2ncccn2)C1 ZINC000903021643 584720929 /nfs/dbraw/zinc/72/09/29/584720929.db2.gz CFFYMMPWNXDYCK-MNOVXSKESA-N 0 3 236.319 0.734 20 0 BCADHN OCCCCN1CC[C@H](Nc2ncccn2)C1 ZINC000903027915 584721772 /nfs/dbraw/zinc/72/17/72/584721772.db2.gz XVILRZCHOPWOJX-NSHDSACASA-N 0 3 236.319 0.735 20 0 BCADHN Cn1cc(CN[C@H]2CCO[C@@]23CCOC3)cn1 ZINC000903076867 584724558 /nfs/dbraw/zinc/72/45/58/584724558.db2.gz VHRNOTLOIAQWTD-NWDGAFQWSA-N 0 3 237.303 0.458 20 0 BCADHN CO[C@@H]1CCC[C@H]1NC[C@H](O)c1ccnn1C ZINC000903225087 584735931 /nfs/dbraw/zinc/73/59/31/584735931.db2.gz COWOAOKSOBIOEG-ADEWGFFLSA-N 0 3 239.319 0.611 20 0 BCADHN C[C@H](NC[C@H]1CCN1C)c1ccn(C)n1 ZINC000903315981 584749697 /nfs/dbraw/zinc/74/96/97/584749697.db2.gz AURRUWCROGDKIH-VHSXEESVSA-N 0 3 208.309 0.775 20 0 BCADHN COC1(OC)CC[C@H]1NCC[C@@H](O)C1CC1 ZINC000903410974 584759584 /nfs/dbraw/zinc/75/95/84/584759584.db2.gz KMSBUKVFUVCVSM-GHMZBOCLSA-N 0 3 229.320 0.889 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000903440553 584763262 /nfs/dbraw/zinc/76/32/62/584763262.db2.gz QAMFBPGGTGOGGT-XTWCZFFVSA-N 0 3 234.299 0.498 20 0 BCADHN C[C@H](N[C@@H]1COC[C@H]1C1CC1)c1cnnn1C ZINC000903441229 584763304 /nfs/dbraw/zinc/76/33/04/584763304.db2.gz ZORNTDDBHBGKAZ-INTQDDNPSA-N 0 3 236.319 0.891 20 0 BCADHN C[C@H](c1ncccn1)N1CC[C@@H](F)[C@H](N)C1 ZINC000903464266 584767024 /nfs/dbraw/zinc/76/70/24/584767024.db2.gz FNJXGGXCNUUVAJ-OPRDCNLKSA-N 0 3 224.283 0.909 20 0 BCADHN Cc1cc(CN2CC[C@@H](F)[C@H](N)C2)c(C)nn1 ZINC000903464268 584767109 /nfs/dbraw/zinc/76/71/09/584767109.db2.gz FUPVMQZYODIWPQ-VXGBXAGGSA-N 0 3 238.310 0.965 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]CC2([NH3+])CC2)o1 ZINC000903524330 584781275 /nfs/dbraw/zinc/78/12/75/584781275.db2.gz KBRAWGVQYYJMEU-UHFFFAOYSA-N 0 3 230.289 0.358 20 0 BCADHN Cc1csc(S(=O)(=O)[N-]CC2([NH3+])CC2)c1 ZINC000903524113 584781307 /nfs/dbraw/zinc/78/13/07/584781307.db2.gz DWEPQYKSBYBBGU-UHFFFAOYSA-N 0 3 246.357 0.826 20 0 BCADHN CC(C)N(C)C(=O)C(=O)N1C[C@H](N)C(C)(C)C1 ZINC000903714143 584793550 /nfs/dbraw/zinc/79/35/50/584793550.db2.gz NXFFJZHIVYACGG-VIFPVBQESA-N 0 3 241.335 0.049 20 0 BCADHN N[C@@H]1CN(C[C@@H]2C[C@H]3COC[C@@H]3O2)CC[C@H]1F ZINC000903765193 584797465 /nfs/dbraw/zinc/79/74/65/584797465.db2.gz FKHPNUNAFKPPNC-HGCLJGPKSA-N 0 3 244.310 0.161 20 0 BCADHN CO[C@@H]1CCN(CCc2cn(C)nn2)C1 ZINC000859156561 589011037 /nfs/dbraw/zinc/01/10/37/589011037.db2.gz MBQQKZDQQGICAJ-SNVBAGLBSA-N 0 3 210.281 0.078 20 0 BCADHN C[C@@]1(C2CC2)COCCN1C[C@H]1CNCCO1 ZINC000903881148 584817646 /nfs/dbraw/zinc/81/76/46/584817646.db2.gz FKSHSFIVBGZAKR-OLZOCXBDSA-N 0 3 240.347 0.476 20 0 BCADHN Cc1ccc([O-])c(CN[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000903960283 584828172 /nfs/dbraw/zinc/82/81/72/584828172.db2.gz BZNDHEQTAOUJKH-PSASIEDQSA-N 0 3 221.304 0.793 20 0 BCADHN CN1CC[C@H](Cc2nc(-c3nccn3C)no2)C1 ZINC000904008155 584837378 /nfs/dbraw/zinc/83/73/78/584837378.db2.gz GGNPDNNRXLABHO-SECBINFHSA-N 0 3 247.302 0.964 20 0 BCADHN CC(C(=O)Nc1nnnn1C)C(F)(F)F ZINC000904199989 584851350 /nfs/dbraw/zinc/85/13/50/584851350.db2.gz URWQCWVEXVPRCX-VKHMYHEASA-N 0 3 223.158 0.347 20 0 BCADHN CCN(Cc1ccc(N)nn1)C[C@@H]1CCOC1 ZINC000904309646 584862608 /nfs/dbraw/zinc/86/26/08/584862608.db2.gz OATPJVCHODOXIV-JTQLQIEISA-N 0 3 236.319 0.917 20 0 BCADHN CCC[C@](C)(CO)NCc1ccc(N)nn1 ZINC000904329949 584865978 /nfs/dbraw/zinc/86/59/78/584865978.db2.gz VMDBWPJRJIHGGB-LLVKDONJSA-N 0 3 224.308 0.700 20 0 BCADHN Nc1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)nn1 ZINC000904342338 584866988 /nfs/dbraw/zinc/86/69/88/584866988.db2.gz DLNIPMSBDNCXDN-MNOVXSKESA-N 0 3 248.330 0.917 20 0 BCADHN CC[C@]1(CO)CCCN1Cc1ccc(N)nn1 ZINC000904341097 584867044 /nfs/dbraw/zinc/86/70/44/584867044.db2.gz PKLKUMFPYPRTGV-GFCCVEGCSA-N 0 3 236.319 0.796 20 0 BCADHN Nc1ccc(CN[C@@H]2CNCCC2(F)F)nn1 ZINC000904354360 584870248 /nfs/dbraw/zinc/87/02/48/584870248.db2.gz GMJYZVMYNTXOBN-MRVPVSSYSA-N 0 3 243.261 0.146 20 0 BCADHN C[C@@H]1[C@@H](CO)CCCN1Cc1ccc(N)nn1 ZINC000904372752 584874080 /nfs/dbraw/zinc/87/40/80/584874080.db2.gz IIOVIHSBDVVUQU-NXEZZACHSA-N 0 3 236.319 0.652 20 0 BCADHN COC(=O)C1=CC[C@@H](NC(=O)CNC(C)C)C1 ZINC000877002094 584888760 /nfs/dbraw/zinc/88/87/60/584888760.db2.gz PEXIAOBFAQHIRN-SNVBAGLBSA-N 0 3 240.303 0.362 20 0 BCADHN COC(=O)C1=CC[C@H](NC(=O)[C@H](N)C(C)C)C1 ZINC000876999879 584888793 /nfs/dbraw/zinc/88/87/93/584888793.db2.gz IADBUHZBBFWLDZ-VHSXEESVSA-N 0 3 240.303 0.348 20 0 BCADHN CO[C@@H]1COC[C@H]1Nc1cc(C)nc(N)n1 ZINC000826645033 584894901 /nfs/dbraw/zinc/89/49/01/584894901.db2.gz RNLSQZSVFLAVOF-HTQZYQBOSA-N 0 3 224.264 0.193 20 0 BCADHN CN1CC[C@H](CNC(=O)OCCF)C1 ZINC000859184706 589015466 /nfs/dbraw/zinc/01/54/66/589015466.db2.gz FKUDMALOVJYAJV-MRVPVSSYSA-N 0 3 204.245 0.634 20 0 BCADHN CC(=O)CCC(=O)N1CC[C@@H]2[C@H](CCN2C)C1 ZINC000827374315 584898530 /nfs/dbraw/zinc/89/85/30/584898530.db2.gz NHFYTTIUCIILMX-VXGBXAGGSA-N 0 3 238.331 0.908 20 0 BCADHN Cc1n[nH]c([C@H]2CCN(CC[S@@](C)=O)C2)n1 ZINC000828626666 584903926 /nfs/dbraw/zinc/90/39/26/584903926.db2.gz JQRHCFKLZACXRU-XXFAHNHDSA-N 0 3 242.348 0.281 20 0 BCADHN Cc1nc([C@H]2CCN(CC[S@@](C)=O)C2)n[nH]1 ZINC000828626666 584903927 /nfs/dbraw/zinc/90/39/27/584903927.db2.gz JQRHCFKLZACXRU-XXFAHNHDSA-N 0 3 242.348 0.281 20 0 BCADHN Cc1nnc([C@H]2CCN(CC[S@@](C)=O)C2)[nH]1 ZINC000828626666 584903928 /nfs/dbraw/zinc/90/39/28/584903928.db2.gz JQRHCFKLZACXRU-XXFAHNHDSA-N 0 3 242.348 0.281 20 0 BCADHN CN(CCNC(=O)N[C@]12C[C@H]1COC2)C1CC1 ZINC000888266574 584906911 /nfs/dbraw/zinc/90/69/11/584906911.db2.gz FJWPSGXEOSZTDE-CABZTGNLSA-N 0 3 239.319 0.169 20 0 BCADHN O=C(NCc1csc(=O)[nH]1)[C@]1(F)CCNC1 ZINC000831363126 584909599 /nfs/dbraw/zinc/90/95/99/584909599.db2.gz RUFYSBRNYAKIEW-VIFPVBQESA-N 0 3 245.279 0.167 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)[C@H](O)c1cccc(F)c1 ZINC000832120378 584910991 /nfs/dbraw/zinc/91/09/91/584910991.db2.gz CATMBVCPIONZBQ-XLDPMVHQSA-N 0 3 240.278 0.711 20 0 BCADHN C[C@H](c1ccncc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000653826844 584911581 /nfs/dbraw/zinc/91/15/81/584911581.db2.gz MVIFTLAQZTZBLR-KWCYVHTRSA-N 0 3 247.342 0.893 20 0 BCADHN C/C=C/C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000730841541 584917712 /nfs/dbraw/zinc/91/77/12/584917712.db2.gz FFKIOKJTHMORDU-HMDXOVGESA-N 0 3 212.293 0.399 20 0 BCADHN CNC(=S)N[C@@H]1CCN(CC2CC2)C1 ZINC000730957495 584920493 /nfs/dbraw/zinc/92/04/93/584920493.db2.gz NRBKYDYPXBJYTQ-SECBINFHSA-N 0 3 213.350 0.565 20 0 BCADHN CCN(CCN1CCOC1=O)C[C@@H]1CCCO1 ZINC000731104420 584922432 /nfs/dbraw/zinc/92/24/32/584922432.db2.gz ZHTOVTKWQHSIAX-NSHDSACASA-N 0 3 242.319 0.940 20 0 BCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc[nH]c1 ZINC000731622455 584927612 /nfs/dbraw/zinc/92/76/12/584927612.db2.gz RFHQTBITLWNRCL-NWDGAFQWSA-N 0 3 249.314 0.608 20 0 BCADHN CN(C)C[C@@H](O)CNc1ccnc(C2CC2)n1 ZINC000731920720 584931469 /nfs/dbraw/zinc/93/14/69/584931469.db2.gz SDGJTOPDCFXFNN-JTQLQIEISA-N 0 3 236.319 0.688 20 0 BCADHN CO[C@H](C)CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000732161066 584934424 /nfs/dbraw/zinc/93/44/24/584934424.db2.gz UIPLQZKHECMENW-PWSUYJOCSA-N 0 3 240.347 0.964 20 0 BCADHN CCc1cc(CNC(=O)[C@@H]2CCCN2C)n[nH]1 ZINC000732836736 584941461 /nfs/dbraw/zinc/94/14/61/584941461.db2.gz YALSRWCTLXYWBC-NSHDSACASA-N 0 3 236.319 0.683 20 0 BCADHN CN(CN1CCCC1=O)[C@H]1CCN(C2CC2)C1 ZINC000733296369 584946266 /nfs/dbraw/zinc/94/62/66/584946266.db2.gz MOVCVESMOIHFGS-LBPRGKRZSA-N 0 3 237.347 0.735 20 0 BCADHN COc1ncc(C(=O)NC[C@H](C)N(C)C)cn1 ZINC000733950568 584955357 /nfs/dbraw/zinc/95/53/57/584955357.db2.gz SIUOFUPQPVHKRK-QMMMGPOBSA-N 0 3 238.291 0.165 20 0 BCADHN CN1CCC[C@H](NC(=O)C2=COCC2)C1 ZINC000734126961 584958398 /nfs/dbraw/zinc/95/83/98/584958398.db2.gz JDCYANPQBXTNRM-JTQLQIEISA-N 0 3 210.277 0.501 20 0 BCADHN CN(C(=O)C1=COCC1)[C@@H]1CCN(C2CC2)C1 ZINC000734127799 584958692 /nfs/dbraw/zinc/95/86/92/584958692.db2.gz CMNKWBBQNGNGEW-GFCCVEGCSA-N 0 3 236.315 0.986 20 0 BCADHN NS(=O)(=O)CCN1CCC2(C1)CCCCC2 ZINC000741809559 584959531 /nfs/dbraw/zinc/95/95/31/584959531.db2.gz XHGIYPIUTZBSIA-UHFFFAOYSA-N 0 3 246.376 0.931 20 0 BCADHN COC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000734452419 584962726 /nfs/dbraw/zinc/96/27/26/584962726.db2.gz YTOFTIOEYAJKHG-LLVKDONJSA-N 0 3 241.335 0.465 20 0 BCADHN C[C@@H]1C(=O)CCCN1C(=O)C[C@@H]1CCN(C)C1 ZINC000885063286 584966258 /nfs/dbraw/zinc/96/62/58/584966258.db2.gz NXHVMOJDVFHVTN-MNOVXSKESA-N 0 3 238.331 0.908 20 0 BCADHN CCS(=O)(=O)CCN1CC[C@@H](CN(C)C)C1 ZINC000735670790 584980668 /nfs/dbraw/zinc/98/06/68/584980668.db2.gz QCQKVXREOXEDRC-NSHDSACASA-N 0 3 248.392 0.305 20 0 BCADHN CN(CCNC(=O)[C@H](O)C(C)(C)C)C1CC1 ZINC000735854220 584982852 /nfs/dbraw/zinc/98/28/52/584982852.db2.gz UMYVVLRDMWAROK-JTQLQIEISA-N 0 3 228.336 0.604 20 0 BCADHN CCN1CCC(NC(=O)[C@H](O)C(C)(C)C)CC1 ZINC000735842227 584982925 /nfs/dbraw/zinc/98/29/25/584982925.db2.gz HTPFKNIBBDMPMY-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN CCN1CCC(NC(=O)[C@@H](O)C(C)(C)C)CC1 ZINC000735842226 584983034 /nfs/dbraw/zinc/98/30/34/584983034.db2.gz HTPFKNIBBDMPMY-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](CCO)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000735985121 584985447 /nfs/dbraw/zinc/98/54/47/584985447.db2.gz FCHLJACZHLSJKZ-SECBINFHSA-N 0 3 247.302 0.727 20 0 BCADHN C[C@H](CCO)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000735985121 584985448 /nfs/dbraw/zinc/98/54/48/584985448.db2.gz FCHLJACZHLSJKZ-SECBINFHSA-N 0 3 247.302 0.727 20 0 BCADHN Cc1nonc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000736673064 585009385 /nfs/dbraw/zinc/00/93/85/585009385.db2.gz FLPDCBOISRDQSW-SECBINFHSA-N 0 3 238.291 0.450 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(C=O)cn1)N(C)C ZINC000823615665 585028297 /nfs/dbraw/zinc/02/82/97/585028297.db2.gz UJJKJLCVWIRLEW-VIFPVBQESA-N 0 3 235.287 0.574 20 0 BCADHN C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)C ZINC000824041047 585028592 /nfs/dbraw/zinc/02/85/92/585028592.db2.gz FGLPLMVQHLBYBI-ZETCQYMHSA-N 0 3 244.726 0.753 20 0 BCADHN CNC(=O)CCNCc1[nH]nc(C)c1C ZINC000885944394 585031248 /nfs/dbraw/zinc/03/12/48/585031248.db2.gz OJEIDKWOUBPOHV-UHFFFAOYSA-N 0 3 210.281 0.252 20 0 BCADHN CON(C)C(=O)CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000774709525 585033515 /nfs/dbraw/zinc/03/35/15/585033515.db2.gz PVPPXINZPHVBBG-MNOVXSKESA-N 0 3 242.319 0.365 20 0 BCADHN COC(=O)[C@@H](F)CNC(=O)[C@H](C(C)C)N(C)C ZINC000838070934 585044719 /nfs/dbraw/zinc/04/47/19/585044719.db2.gz XVAXFUBWNDKKCH-IUCAKERBSA-N 0 3 248.298 0.200 20 0 BCADHN C[C@@H](CNC(=S)NC[C@H]1CCCO1)N(C)C ZINC000840810692 585051596 /nfs/dbraw/zinc/05/15/96/585051596.db2.gz VMASONJHAHGJHN-VHSXEESVSA-N 0 3 245.392 0.580 20 0 BCADHN COCCONC(=O)NC(C)(C)CN(C)C ZINC000838574274 585061042 /nfs/dbraw/zinc/06/10/42/585061042.db2.gz UPVCXFYICLZBQS-UHFFFAOYSA-N 0 3 233.312 0.204 20 0 BCADHN C[C@@H](CNC(=O)N[C@@](C)(CO)C1CC1)N(C)C ZINC000838682683 585064981 /nfs/dbraw/zinc/06/49/81/585064981.db2.gz BRRZTQYWDJEMJJ-CABZTGNLSA-N 0 3 243.351 0.397 20 0 BCADHN CCn1ncc(CN(C)[C@H]2CCN(C3CC3)C2)n1 ZINC000838820701 585072043 /nfs/dbraw/zinc/07/20/43/585072043.db2.gz QQNWEFDGMVSQLT-ZDUSSCGKSA-N 0 3 249.362 0.967 20 0 BCADHN O=C(NC1CC1)[C@@H]1CCCN1C[C@@H](O)C1CC1 ZINC000838845772 585074423 /nfs/dbraw/zinc/07/44/23/585074423.db2.gz JJIYBIKHUZLZBZ-NWDGAFQWSA-N 0 3 238.331 0.500 20 0 BCADHN C[C@H]1COCCN(CCC(=O)N2CCCC2)C1 ZINC000838902995 585077144 /nfs/dbraw/zinc/07/71/44/585077144.db2.gz JGHREIUPZZWMRX-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN CCn1ncc(CNC[C@@H](C2CC2)N(C)C)n1 ZINC000838907776 585077394 /nfs/dbraw/zinc/07/73/94/585077394.db2.gz WMOBKNHGVGNISG-LBPRGKRZSA-N 0 3 237.351 0.728 20 0 BCADHN O[C@H](CN1CCOC[C@H]1C1CC1)C1CC1 ZINC000838906412 585077558 /nfs/dbraw/zinc/07/75/58/585077558.db2.gz LHEAQXWNLRZFPM-NWDGAFQWSA-N 0 3 211.305 0.868 20 0 BCADHN O[C@@H](CN1CCOC[C@@H]1C1CC1)C1CC1 ZINC000838906411 585077637 /nfs/dbraw/zinc/07/76/37/585077637.db2.gz LHEAQXWNLRZFPM-NEPJUHHUSA-N 0 3 211.305 0.868 20 0 BCADHN O[C@@H](CN1CCOCC2(CC2)C1)C1CC1 ZINC000838926113 585081163 /nfs/dbraw/zinc/08/11/63/585081163.db2.gz CAGAVHZFEIIYGJ-NSHDSACASA-N 0 3 211.305 0.870 20 0 BCADHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@H](O)C1CC1 ZINC000838962775 585082121 /nfs/dbraw/zinc/08/21/21/585082121.db2.gz VJEUMOMHRMPKJO-WYUUTHIRSA-N 0 3 238.331 0.343 20 0 BCADHN CCn1ncc(CNCCN2CCC[C@@H]2C)n1 ZINC000838989849 585084579 /nfs/dbraw/zinc/08/45/79/585084579.db2.gz VXVZGJCELWZAEK-NSHDSACASA-N 0 3 237.351 0.872 20 0 BCADHN COC[C@@H](C)CN1CC(O)(C(C)C)C1 ZINC000839133935 585094202 /nfs/dbraw/zinc/09/42/02/585094202.db2.gz ZAPGOJOOTNUYHK-JTQLQIEISA-N 0 3 201.310 0.972 20 0 BCADHN CON(C)C(=O)CN1CCCC[C@H]1C1(O)CC1 ZINC000839142034 585094936 /nfs/dbraw/zinc/09/49/36/585094936.db2.gz FIXNTYNYCXVYEZ-JTQLQIEISA-N 0 3 242.319 0.386 20 0 BCADHN CCCCOC(=O)CCN1C[C@H](O)[C@@H](CO)C1 ZINC000839170656 585096524 /nfs/dbraw/zinc/09/65/24/585096524.db2.gz QXLFMMQINIVJDX-MNOVXSKESA-N 0 3 245.319 0.005 20 0 BCADHN CCCS(=O)(=O)CCN[C@@H]1CCO[C@H]1CC ZINC000839199414 585099363 /nfs/dbraw/zinc/09/93/63/585099363.db2.gz LGGIVXDFINHBSV-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN CC[C@@H]1OCC[C@H]1NCCS(=O)(=O)C(C)C ZINC000839198538 585099385 /nfs/dbraw/zinc/09/93/85/585099385.db2.gz OSLSEDMKQBYPKM-MNOVXSKESA-N 0 3 249.376 0.967 20 0 BCADHN C(CN1C[C@@H]2C[C@H]1CS2)C1OCCO1 ZINC000839201023 585099487 /nfs/dbraw/zinc/09/94/87/585099487.db2.gz CEFYJQGMVKRELG-IUCAKERBSA-N 0 3 215.318 0.939 20 0 BCADHN CCCOC(=O)[C@@H](C)N1CCCN(C)CC1 ZINC000839463906 585105535 /nfs/dbraw/zinc/10/55/35/585105535.db2.gz NMDSEOWPZDCPBT-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CN1CCC(NC(=O)[C@@H]2CSC(=O)N2)CC1 ZINC000740749891 585106247 /nfs/dbraw/zinc/10/62/47/585106247.db2.gz UXUNJLNRLCFRFB-QMMMGPOBSA-N 0 3 243.332 0.022 20 0 BCADHN C[C@H](CNC(=O)c1nccn1C)N1CCCC1 ZINC000741263796 585111608 /nfs/dbraw/zinc/11/16/08/585111608.db2.gz MWXHTGCJJJOERC-SNVBAGLBSA-N 0 3 236.319 0.634 20 0 BCADHN C[C@@H](CNC(=O)c1nccn1C)N(C)C1CC1 ZINC000741262575 585112208 /nfs/dbraw/zinc/11/22/08/585112208.db2.gz XNYOYNGPEWLBHL-VIFPVBQESA-N 0 3 236.319 0.633 20 0 BCADHN COC[C@H](NC(=S)NCCN(C)C)C(C)C ZINC000741505272 585115023 /nfs/dbraw/zinc/11/50/23/585115023.db2.gz XETMUOOLONOUEQ-JTQLQIEISA-N 0 3 247.408 0.683 20 0 BCADHN COCCCN(C)CCNC(=S)NC(C)C ZINC000741506382 585115114 /nfs/dbraw/zinc/11/51/14/585115114.db2.gz GPUJJLIUTGNMPJ-UHFFFAOYSA-N 0 3 247.408 0.827 20 0 BCADHN CCNC(=S)NCCN(C)CCCOC ZINC000741510443 585115281 /nfs/dbraw/zinc/11/52/81/585115281.db2.gz OZCYOCBWBXGMPZ-UHFFFAOYSA-N 0 3 233.381 0.439 20 0 BCADHN C[C@@H]1CCC[C@@H](C)N(CCS(N)(=O)=O)C1 ZINC000741793457 585118918 /nfs/dbraw/zinc/11/89/18/585118918.db2.gz MJFZNJCHNZZDKU-NXEZZACHSA-N 0 3 234.365 0.785 20 0 BCADHN C[C@@H]1CC(=O)N(CN2CC[C@H](N3CC=CC3)C2)C1 ZINC000742163395 585122680 /nfs/dbraw/zinc/12/26/80/585122680.db2.gz RNAWLIUAZONDTG-OLZOCXBDSA-N 0 3 249.358 0.758 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)[C@H]1CCCO1 ZINC000742239087 585123597 /nfs/dbraw/zinc/12/35/97/585123597.db2.gz DSUHHVQCWCNNTG-GHMZBOCLSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)[C@@H]1COCCO1 ZINC000742239671 585123739 /nfs/dbraw/zinc/12/37/39/585123739.db2.gz GFRDXVHNBZWVQX-MNOVXSKESA-N 0 3 242.319 0.002 20 0 BCADHN Cc1cnc(C(=O)NCCN2CCC[C@H]2C)cn1 ZINC000742241543 585124197 /nfs/dbraw/zinc/12/41/97/585124197.db2.gz PJWQKFOVLXVBEO-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN CN(C)CCNC(=S)NCCC1CC1 ZINC000743007879 585132862 /nfs/dbraw/zinc/13/28/62/585132862.db2.gz CIFHPQRBMTZLSC-UHFFFAOYSA-N 0 3 215.366 0.812 20 0 BCADHN CN(C)CCNC(=S)NC[C@H]1CCC[C@@H]1O ZINC000743012737 585133123 /nfs/dbraw/zinc/13/31/23/585133123.db2.gz FSMAUZPFGJGVQE-ZJUUUORDSA-N 0 3 245.392 0.173 20 0 BCADHN CCN(CCCO)C(=S)NCCN(C)C ZINC000743031338 585133281 /nfs/dbraw/zinc/13/32/81/585133281.db2.gz HTYHRTQWENPYMY-UHFFFAOYSA-N 0 3 233.381 0.127 20 0 BCADHN CC[C@@H](CO)N1CCN(c2ccncc2)CC1 ZINC000788327771 585133719 /nfs/dbraw/zinc/13/37/19/585133719.db2.gz RSPDLZLMBZSYHT-LBPRGKRZSA-N 0 3 235.331 0.975 20 0 BCADHN C[C@@H](CNC(=O)c1ncccn1)N1CCCC1 ZINC000743305690 585135139 /nfs/dbraw/zinc/13/51/39/585135139.db2.gz OXSQDJDRFCHZLE-JTQLQIEISA-N 0 3 234.303 0.691 20 0 BCADHN C[NH+]1CCC(NC(=O)c2ccc(N)cc2[O-])CC1 ZINC000743775762 585139480 /nfs/dbraw/zinc/13/94/80/585139480.db2.gz LUWXHXJAWDSNSV-UHFFFAOYSA-N 0 3 249.314 0.798 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)NC1CC1 ZINC000743813534 585139688 /nfs/dbraw/zinc/13/96/88/585139688.db2.gz SHDAYWIVTUGIIF-SECBINFHSA-N 0 3 211.309 0.932 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1ccc[n+]([O-])c1 ZINC000744350851 585149140 /nfs/dbraw/zinc/14/91/40/585149140.db2.gz QKKRTGCIQCJCPU-NSHDSACASA-N 0 3 249.314 0.534 20 0 BCADHN CO[C@H](C)C(=O)NCCN1CCC[C@@H]1C ZINC000744347794 585149415 /nfs/dbraw/zinc/14/94/15/585149415.db2.gz CPRKJFPTTWSOLP-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CCCN(CC)CC(=O)N1CCO[C@@H](C)C1 ZINC000746107270 585163049 /nfs/dbraw/zinc/16/30/49/585163049.db2.gz CUAUJTQUSACEFX-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN Cc1cccc(NCCNC(=O)c2nnc[nH]2)n1 ZINC000746194747 585164859 /nfs/dbraw/zinc/16/48/59/585164859.db2.gz STKWJJMDPSIYLK-UHFFFAOYSA-N 0 3 246.274 0.350 20 0 BCADHN Cc1cccc(NCCNC(=O)c2ncn[nH]2)n1 ZINC000746194747 585164860 /nfs/dbraw/zinc/16/48/60/585164860.db2.gz STKWJJMDPSIYLK-UHFFFAOYSA-N 0 3 246.274 0.350 20 0 BCADHN Cc1cccc(NCCNC(=O)c2nc[nH]n2)n1 ZINC000746194747 585164861 /nfs/dbraw/zinc/16/48/61/585164861.db2.gz STKWJJMDPSIYLK-UHFFFAOYSA-N 0 3 246.274 0.350 20 0 BCADHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2nc[nH]n2)C1 ZINC000746239545 585166176 /nfs/dbraw/zinc/16/61/76/585166176.db2.gz GPMPYMYCWSNRQC-ZJUUUORDSA-N 0 3 249.318 0.361 20 0 BCADHN CON(C)C(=O)CN1C[C@@H](C)C[C@H](C)C1 ZINC000746494555 585168593 /nfs/dbraw/zinc/16/85/93/585168593.db2.gz JKNJNNCKJRJPFT-UWVGGRQHSA-N 0 3 214.309 0.984 20 0 BCADHN CON(C)C(=O)CN1C[C@H](C)C[C@H](C)C1 ZINC000746494552 585168713 /nfs/dbraw/zinc/16/87/13/585168713.db2.gz JKNJNNCKJRJPFT-AOOOYVTPSA-N 0 3 214.309 0.984 20 0 BCADHN C/C=C\C(=O)Nc1cnn(CCN(C)C)c1 ZINC000747226734 585177060 /nfs/dbraw/zinc/17/70/60/585177060.db2.gz WVYWREDXSJZVLQ-PLNGDYQASA-N 0 3 222.292 0.959 20 0 BCADHN Cn1cc(C(=O)N2CCC23CCN(C)CC3)cn1 ZINC000747978607 585186384 /nfs/dbraw/zinc/18/63/84/585186384.db2.gz QULKWCNVQACOHB-UHFFFAOYSA-N 0 3 248.330 0.730 20 0 BCADHN CC(C)N(C)CC(=O)N1CCN(C)[C@@H](C)C1 ZINC000748347577 585191024 /nfs/dbraw/zinc/19/10/24/585191024.db2.gz APXMQHWHEAQAAU-NSHDSACASA-N 0 3 227.352 0.489 20 0 BCADHN COCC1(N(C)CCc2cn(C)nn2)CC1 ZINC000859217626 589019993 /nfs/dbraw/zinc/01/99/93/589019993.db2.gz RTVNFBWPNSONEE-UHFFFAOYSA-N 0 3 224.308 0.468 20 0 BCADHN CC[C@H](C)NC(=S)N[C@@H]1CCN(C)C1 ZINC000749766774 585205824 /nfs/dbraw/zinc/20/58/24/585205824.db2.gz LZGOMQGELYAUBV-DTWKUNHWSA-N 0 3 215.366 0.953 20 0 BCADHN NC(=O)C1(NCCn2ccccc2=O)CCCC1 ZINC000750048541 585209706 /nfs/dbraw/zinc/20/97/06/585209706.db2.gz KQGUVQSNRRMWEU-UHFFFAOYSA-N 0 3 249.314 0.236 20 0 BCADHN CN(CCCCCCO)[C@H]1CCN(C)C1=O ZINC000750185584 585212015 /nfs/dbraw/zinc/21/20/15/585212015.db2.gz OSPFPEHHAQDGAL-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN CCOCCNC(=S)NC[C@H]1CCCN1C ZINC000751002312 585223432 /nfs/dbraw/zinc/22/34/32/585223432.db2.gz FARGBIZGCKCPLT-SNVBAGLBSA-N 0 3 245.392 0.581 20 0 BCADHN CN1CC[C@@H](NC(=S)NCC(F)(F)F)C1 ZINC000750998525 585223472 /nfs/dbraw/zinc/22/34/72/585223472.db2.gz DBSIYPSLEPQJBP-ZCFIWIBFSA-N 0 3 241.282 0.717 20 0 BCADHN CC[C@](C)(CC(=O)OC)NCc1cnnn1C ZINC000751146318 585224865 /nfs/dbraw/zinc/22/48/65/585224865.db2.gz DBUICYWTOVSLRN-LLVKDONJSA-N 0 3 240.307 0.637 20 0 BCADHN Cn1nncc1CNCCCNc1ncccn1 ZINC000751506298 585231268 /nfs/dbraw/zinc/23/12/68/585231268.db2.gz NOUZVTHTASPHRA-UHFFFAOYSA-N 0 3 247.306 0.197 20 0 BCADHN COCCN1CC[C@H](NC(=O)/C=C\SC)C1 ZINC000751576593 585233386 /nfs/dbraw/zinc/23/33/86/585233386.db2.gz BHRNTRCCCJLHHL-PENHIPQLSA-N 0 3 244.360 0.700 20 0 BCADHN COC[C@H]1CCCN1CCN1CCOC1=O ZINC000752090473 585241784 /nfs/dbraw/zinc/24/17/84/585241784.db2.gz ZKHPZPIETLUJKV-SNVBAGLBSA-N 0 3 228.292 0.549 20 0 BCADHN COc1cccc(C(=O)NC[C@@H](C)N(C)C)n1 ZINC000752397429 585245697 /nfs/dbraw/zinc/24/56/97/585245697.db2.gz YMLBHHGWULOCAL-SECBINFHSA-N 0 3 237.303 0.770 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C=C1CCCC1 ZINC000752481662 585246481 /nfs/dbraw/zinc/24/64/81/585246481.db2.gz FKDBJCBDMJLPTG-ZDUSSCGKSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@@H](CC(=O)NC[C@@](C)(O)CN(C)C)C1CC1 ZINC000752483096 585246839 /nfs/dbraw/zinc/24/68/39/585246839.db2.gz WNKONQAXHQUOEJ-GXFFZTMASA-N 0 3 242.363 0.851 20 0 BCADHN CCCCN1C(C)C(=O)N(C)S1(=O)=O ZINC000752877947 585251106 /nfs/dbraw/zinc/25/11/06/585251106.db2.gz GBUVOIKSIAHXRT-SSDOTTSWSA-N 0 3 220.294 0.194 20 0 BCADHN CNC(=O)CCCN(C)C/C=C(\C)C(=O)OC ZINC000753206340 585255347 /nfs/dbraw/zinc/25/53/47/585255347.db2.gz IQHJNSVOSFMWKD-JXMROGBWSA-N 0 3 242.319 0.564 20 0 BCADHN COC(=O)c1cc(CN[C@@H]2CCN(C)C2)c[nH]1 ZINC000753367584 585257400 /nfs/dbraw/zinc/25/74/00/585257400.db2.gz JUEWZNYGHIYEIJ-SNVBAGLBSA-N 0 3 237.303 0.595 20 0 BCADHN CN1CCC(NC(=S)NC2(CO)CC2)CC1 ZINC000753673902 585266145 /nfs/dbraw/zinc/26/61/45/585266145.db2.gz QSOIOMPIARSRGN-UHFFFAOYSA-N 0 3 243.376 0.070 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ncccn2)CN1C1CC1 ZINC000753702482 585266525 /nfs/dbraw/zinc/26/65/25/585266525.db2.gz AINSKRWSJLGUGP-NXEZZACHSA-N 0 3 246.314 0.832 20 0 BCADHN CN(CC(N)=O)CC1CCC2(CC1)OCCO2 ZINC000753706037 585266537 /nfs/dbraw/zinc/26/65/37/585266537.db2.gz XUVWTSXGKMUAFZ-UHFFFAOYSA-N 0 3 242.319 0.337 20 0 BCADHN CN(C)C1(C(=O)N[C@H]2CC[C@H](O)CC2)CCC1 ZINC000753729031 585267329 /nfs/dbraw/zinc/26/73/29/585267329.db2.gz OUKIFZRHYXQNQE-XYPYZODXSA-N 0 3 240.347 0.890 20 0 BCADHN CONC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000753825776 585270605 /nfs/dbraw/zinc/27/06/05/585270605.db2.gz SFGCMZLGDZISNY-HTQZYQBOSA-N 0 3 201.270 0.330 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2nccn2C)CN1C1CC1 ZINC000753838525 585270715 /nfs/dbraw/zinc/27/07/15/585270715.db2.gz FPLYVFGMOOJNMF-NXEZZACHSA-N 0 3 248.330 0.775 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CC(C)(C)OC1=O ZINC000753866398 585271265 /nfs/dbraw/zinc/27/12/65/585271265.db2.gz KAQQOWJCQLVHEV-SECBINFHSA-N 0 3 242.319 0.537 20 0 BCADHN CN(CCO)CCNc1nc2ccccc2[nH]1 ZINC000753911338 585272026 /nfs/dbraw/zinc/27/20/26/585272026.db2.gz LCPRHDGSBGPTKA-UHFFFAOYSA-N 0 3 234.303 0.899 20 0 BCADHN CCN(C)C(=O)CN[C@H](CC(=O)OC)C1CC1 ZINC000754542504 585285738 /nfs/dbraw/zinc/28/57/38/585285738.db2.gz VPXQYCRUDQGCMX-SNVBAGLBSA-N 0 3 242.319 0.396 20 0 BCADHN COC(=O)C[C@H](N[C@@H]1CCN(C)C1=O)C1CC1 ZINC000754536700 585285742 /nfs/dbraw/zinc/28/57/42/585285742.db2.gz CUHKYVTZHMLYFE-ZJUUUORDSA-N 0 3 240.303 0.148 20 0 BCADHN C[C@@H](O)[C@@H](C)Sc1nnnn1CCN(C)C ZINC000755047482 585293737 /nfs/dbraw/zinc/29/37/37/585293737.db2.gz ZXEDOTJRIWPVDG-HTQZYQBOSA-N 0 3 245.352 0.096 20 0 BCADHN CCC1(C(=O)NC[C@H]2CCCN2C)COC1 ZINC000755372744 585298649 /nfs/dbraw/zinc/29/86/49/585298649.db2.gz XFRGZRNUIVTZHD-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CCCN(C)CC(=O)NC1COC(C)(C)OC1 ZINC000756704748 585322256 /nfs/dbraw/zinc/32/22/56/585322256.db2.gz LVBGZCXRNKOEPM-UHFFFAOYSA-N 0 3 244.335 0.596 20 0 BCADHN CO[C@H](C)CC(=O)N1CCC[C@H]1CN(C)C ZINC000756932760 585325165 /nfs/dbraw/zinc/32/51/65/585325165.db2.gz FVQMAGAYISJFEZ-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1ncccn1 ZINC000756933549 585325241 /nfs/dbraw/zinc/32/52/41/585325241.db2.gz STBGRZZESKTXNB-SNVBAGLBSA-N 0 3 234.303 0.643 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1ccc[n+]([O-])c1 ZINC000756933298 585325340 /nfs/dbraw/zinc/32/53/40/585325340.db2.gz NYYJRPXVAQRSQL-GFCCVEGCSA-N 0 3 249.314 0.486 20 0 BCADHN CON(C)C(=O)CN[C@@H](C)[C@](C)(OC)C1CC1 ZINC000839636806 585332323 /nfs/dbraw/zinc/33/23/23/585332323.db2.gz BRWHEVKIXNLJKW-CABZTGNLSA-N 0 3 244.335 0.799 20 0 BCADHN COC(=O)[C@@H]1CN(C)CCN(C/C=C\Cl)C1 ZINC000839629338 585332542 /nfs/dbraw/zinc/33/25/42/585332542.db2.gz IITGACZAUSFGER-UMBAGQNISA-N 0 3 246.738 0.776 20 0 BCADHN CC(C)(CN1CCOCC1)NCC1OCCO1 ZINC000839649346 585333462 /nfs/dbraw/zinc/33/34/62/585333462.db2.gz GFLSQFMVXVPEGC-UHFFFAOYSA-N 0 3 244.335 0.060 20 0 BCADHN CC(=O)CCN(C[C@H]1CCC(=O)N1)C(C)C ZINC000839670753 585336101 /nfs/dbraw/zinc/33/61/01/585336101.db2.gz NKPUGSRLWYCPFI-LLVKDONJSA-N 0 3 226.320 0.955 20 0 BCADHN CCNC(=S)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000757543864 585341014 /nfs/dbraw/zinc/34/10/14/585341014.db2.gz PMNOUEAPAZSCNE-SCZZXKLOSA-N 0 3 227.377 0.953 20 0 BCADHN COC(=O)c1coc(CN[C@H](CO)C2CC2)c1 ZINC000757848924 585345878 /nfs/dbraw/zinc/34/58/78/585345878.db2.gz YQVNBKZCLFXPOX-LLVKDONJSA-N 0 3 239.271 0.927 20 0 BCADHN NS(=O)(=O)CCN1CCC2(CCC2)C1 ZINC000758740005 585359329 /nfs/dbraw/zinc/35/93/29/585359329.db2.gz UWQNRSWSEBQWBK-UHFFFAOYSA-N 0 3 218.322 0.151 20 0 BCADHN COCCNC(=O)[C@H]1CC[C@@H](C)N(CCF)C1 ZINC000759330056 585367916 /nfs/dbraw/zinc/36/79/16/585367916.db2.gz ATLSHJBXVUOVMD-MNOVXSKESA-N 0 3 246.326 0.819 20 0 BCADHN FCCN1CC[C@@H](CN2CCOCC2)C1 ZINC000759345909 585370006 /nfs/dbraw/zinc/37/00/06/585370006.db2.gz UMOVYIMGYMOFGV-LLVKDONJSA-N 0 3 216.300 0.610 20 0 BCADHN CN(CCCCCCO)[C@@H]1CCNC1=O ZINC000759436067 585372847 /nfs/dbraw/zinc/37/28/47/585372847.db2.gz FRPYHNBXHOVUMD-SNVBAGLBSA-N 0 3 214.309 0.359 20 0 BCADHN CN(C)C1(C(=O)N2CC[C@H](CO)C2)CCC1 ZINC000759701772 585378838 /nfs/dbraw/zinc/37/88/38/585378838.db2.gz POBXYMSZYPPQMD-JTQLQIEISA-N 0 3 226.320 0.312 20 0 BCADHN COC(CN(CCCO)C[C@H]1CCCO1)OC ZINC000759868926 585381819 /nfs/dbraw/zinc/38/18/19/585381819.db2.gz GXENJBFSLMJDQW-LLVKDONJSA-N 0 3 247.335 0.469 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1cncnc1 ZINC000760634786 585394996 /nfs/dbraw/zinc/39/49/96/585394996.db2.gz VWPZYIWEOFDSCP-JTQLQIEISA-N 0 3 234.303 0.691 20 0 BCADHN CC[C@@](C)(CC(=O)OC)NCC(=O)N1CCC1 ZINC000760907983 585401757 /nfs/dbraw/zinc/40/17/57/585401757.db2.gz SPXOHLVVOFBDEW-LBPRGKRZSA-N 0 3 242.319 0.540 20 0 BCADHN C[C@@H]1CN(CC[C@@H]2CCOC2=O)CCN1C ZINC000761069288 585405440 /nfs/dbraw/zinc/40/54/40/585405440.db2.gz JRMNDHHXLRANFQ-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN CC(=O)NCCCN1CCN(C)[C@@H](C)C1 ZINC000761077604 585405968 /nfs/dbraw/zinc/40/59/68/585405968.db2.gz NFLQLTVDMSAYHY-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN CCOC(=O)CCCN1CCN(C)[C@@H](C)C1 ZINC000761078150 585406029 /nfs/dbraw/zinc/40/60/29/585406029.db2.gz NWPADMBOXCIGFN-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H]1CN(Cc2ccn(C)c(=O)c2)CCN1C ZINC000761081430 585407256 /nfs/dbraw/zinc/40/72/56/585407256.db2.gz YWOWJMCHBWSHAQ-LLVKDONJSA-N 0 3 235.331 0.521 20 0 BCADHN O=C1OCCN1CCCN1CC[C@@H]2C[C@@H]21 ZINC000761091266 585408350 /nfs/dbraw/zinc/40/83/50/585408350.db2.gz LZAHNWHUQKPLJX-ZJUUUORDSA-N 0 3 210.277 0.923 20 0 BCADHN COCC1(N(C)CCN2CCOC2=O)CC1 ZINC000761098614 585409082 /nfs/dbraw/zinc/40/90/82/585409082.db2.gz BAWBYUMMJAPKIK-UHFFFAOYSA-N 0 3 228.292 0.549 20 0 BCADHN CN(C)C1(C(=O)NCc2cncnc2N)CCC1 ZINC000761984445 585423706 /nfs/dbraw/zinc/42/37/06/585423706.db2.gz WOKJVAJOFULNSD-UHFFFAOYSA-N 0 3 249.318 0.159 20 0 BCADHN C[C@H](C1=CCN(C)CC1)N1C(=O)N[C@H](C)C1=O ZINC000762315066 585430680 /nfs/dbraw/zinc/43/06/80/585430680.db2.gz FYZCFBCVKXSMEU-RKDXNWHRSA-N 0 3 237.303 0.577 20 0 BCADHN C[Si](C)(C)CN1CCOC[C@H]1CCO ZINC000762338877 585431066 /nfs/dbraw/zinc/43/10/66/585431066.db2.gz QWZUMDIXSSFHEH-SNVBAGLBSA-N 0 3 217.385 0.947 20 0 BCADHN C[C@@H](CC(=O)NC[C@]1(O)CCN(C)C1)C1CC1 ZINC000762716811 585435915 /nfs/dbraw/zinc/43/59/15/585435915.db2.gz KLMITIGQKVYITD-GXFFZTMASA-N 0 3 240.347 0.605 20 0 BCADHN NC(=O)N[C@@H]1CCN(CCCCCCO)C1 ZINC000762924875 585439662 /nfs/dbraw/zinc/43/96/62/585439662.db2.gz HWBDPXLPHGRYIB-SNVBAGLBSA-N 0 3 229.324 0.282 20 0 BCADHN CN(C)C1(C(=O)NC2CCN(C)CC2)CCC1 ZINC000762963919 585440083 /nfs/dbraw/zinc/44/00/83/585440083.db2.gz GQXKZXXYANUNTH-UHFFFAOYSA-N 0 3 239.363 0.681 20 0 BCADHN COC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC000762964039 585440170 /nfs/dbraw/zinc/44/01/70/585440170.db2.gz JSRBUCJQBRTYMZ-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN COCCNC(=O)C1(N(C)C)CCC1 ZINC000762964301 585440173 /nfs/dbraw/zinc/44/01/73/585440173.db2.gz JKNONPQYIQTLAX-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN CN(C)C1(C(=O)N(C)CC(C)(C)O)CCC1 ZINC000762978310 585440582 /nfs/dbraw/zinc/44/05/82/585440582.db2.gz GCUMMEVWHXMFHS-UHFFFAOYSA-N 0 3 228.336 0.700 20 0 BCADHN CCN1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000763003388 585441000 /nfs/dbraw/zinc/44/10/00/585441000.db2.gz XKCOQUUSUPLNTB-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CN(C)C1(C(=O)N2CCC[C@@H](O)C2)CCC1 ZINC000763003685 585441011 /nfs/dbraw/zinc/44/10/11/585441011.db2.gz KBMTWBJCDBWFRT-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN CCOC(=O)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC000763004677 585441117 /nfs/dbraw/zinc/44/11/17/585441117.db2.gz VLCTXCFLMDFICI-VIFPVBQESA-N 0 3 242.319 0.539 20 0 BCADHN CCOC(=O)CNC(=O)C1(N(C)C)CCC1 ZINC000763004465 585441179 /nfs/dbraw/zinc/44/11/79/585441179.db2.gz UFKZODIMNZQBPC-UHFFFAOYSA-N 0 3 228.292 0.150 20 0 BCADHN CN(C)C1(C(=O)N[C@H]2CCCOC2)CCC1 ZINC000763016630 585441421 /nfs/dbraw/zinc/44/14/21/585441421.db2.gz PTIYCZDFFQGYBJ-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CN(C)C1(C(=O)NC[C@H]2COCCO2)CCC1 ZINC000763023406 585441650 /nfs/dbraw/zinc/44/16/50/585441650.db2.gz ADVWICJXKUFEPU-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN COCCN(C)C(=O)C1(N(C)C)CCC1 ZINC000763029870 585442030 /nfs/dbraw/zinc/44/20/30/585442030.db2.gz PISCNKCDXNPQEM-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN CN(C)C1(C(=O)NC[C@@H]2CCCN2C)CCC1 ZINC000763042915 585442302 /nfs/dbraw/zinc/44/23/02/585442302.db2.gz DQUHSBCHZSRHSV-NSHDSACASA-N 0 3 239.363 0.681 20 0 BCADHN O=C(CN[C@@H](CO)C1CC1)NCc1ccccc1 ZINC000763063321 585442689 /nfs/dbraw/zinc/44/26/89/585442689.db2.gz BIXXXZIVZDZPOD-ZDUSSCGKSA-N 0 3 248.326 0.663 20 0 BCADHN O=C(CN[C@H](CO)C1CC1)NCc1ccco1 ZINC000763068853 585442737 /nfs/dbraw/zinc/44/27/37/585442737.db2.gz NNBVDXCZXWEHMW-LLVKDONJSA-N 0 3 238.287 0.256 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC000763073950 585443016 /nfs/dbraw/zinc/44/30/16/585443016.db2.gz SJQPGRKAKJKPJG-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](N[C@H](CO)C1CC1)C(=O)NC1CCCC1 ZINC000763075071 585443153 /nfs/dbraw/zinc/44/31/53/585443153.db2.gz ZZEVHMOBGGTAOV-BXKDBHETSA-N 0 3 240.347 0.794 20 0 BCADHN C[C@H](CCCO)NC(=O)C1(N(C)C)CCC1 ZINC000763492708 585449008 /nfs/dbraw/zinc/44/90/08/585449008.db2.gz PCSMRKNFKKVLAF-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN O=C1O[C@H](CN2CCC[C@H](O)C2)CC12CC2 ZINC000763659531 585451528 /nfs/dbraw/zinc/45/15/28/585451528.db2.gz HUFZCHMEELOSPB-UWVGGRQHSA-N 0 3 225.288 0.539 20 0 BCADHN O=C1O[C@@H](CN2CC[C@H](O)C2)CC12CC2 ZINC000763672692 585451956 /nfs/dbraw/zinc/45/19/56/585451956.db2.gz AFXPRNWOALOXGK-DTWKUNHWSA-N 0 3 211.261 0.149 20 0 BCADHN CNC(=O)CCN(C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763675053 585451992 /nfs/dbraw/zinc/45/19/92/585451992.db2.gz MVXOIYFWHZJAKQ-SECBINFHSA-N 0 3 240.303 0.150 20 0 BCADHN O=C1O[C@H](CN2CCC[C@@H]2CO)CC12CC2 ZINC000763677060 585452399 /nfs/dbraw/zinc/45/23/99/585452399.db2.gz XGXVQDRTWCESTG-ZJUUUORDSA-N 0 3 225.288 0.539 20 0 BCADHN O=C1O[C@@H](CN2CCC[C@@H]2CO)CC12CC2 ZINC000763677046 585452554 /nfs/dbraw/zinc/45/25/54/585452554.db2.gz XGXVQDRTWCESTG-NXEZZACHSA-N 0 3 225.288 0.539 20 0 BCADHN CN(CCn1cccn1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763692233 585452674 /nfs/dbraw/zinc/45/26/74/585452674.db2.gz SZZYDKPYXPJHEC-NSHDSACASA-N 0 3 249.314 0.911 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763734706 585453151 /nfs/dbraw/zinc/45/31/51/585453151.db2.gz GNEHQBLFHXAOLD-UTLUCORTSA-N 0 3 225.288 0.537 20 0 BCADHN CN(C[C@@H]1CC2(CC2)C(=O)O1)CC1(CO)CC1 ZINC000763784422 585454321 /nfs/dbraw/zinc/45/43/21/585454321.db2.gz ZQNIRXMUWZMEPG-JTQLQIEISA-N 0 3 239.315 0.786 20 0 BCADHN O=C1C[C@@H]([C@@H]2CCCCN2CCF)CN1 ZINC000764463236 585465218 /nfs/dbraw/zinc/46/52/18/585465218.db2.gz NWAIYLWIIFUOGX-ZJUUUORDSA-N 0 3 214.284 0.947 20 0 BCADHN CN(C)CCNC(=O)[C@@H](O)C(C)(C)C ZINC000764586706 585468432 /nfs/dbraw/zinc/46/84/32/585468432.db2.gz ZRFCGOZGLPTKPT-MRVPVSSYSA-N 0 3 202.298 0.071 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@@H](O)C(C)(C)C ZINC000764636169 585469724 /nfs/dbraw/zinc/46/97/24/585469724.db2.gz MIKWEPLCBYTBHL-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](CNC(=O)[C@H](O)C(C)(C)C)N(C)C ZINC000764815684 585474757 /nfs/dbraw/zinc/47/47/57/585474757.db2.gz ZIVOISIQLNVJGR-IUCAKERBSA-N 0 3 216.325 0.460 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)[C@@H](O)C(C)(C)C ZINC000764975459 585478207 /nfs/dbraw/zinc/47/82/07/585478207.db2.gz XCBCAQHXGKTYMY-GHMZBOCLSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@H](CNC(=O)[C@H](O)C(C)(C)C)N(C)C1CC1 ZINC000764969855 585478256 /nfs/dbraw/zinc/47/82/56/585478256.db2.gz BLIPTATZLXCNNG-KOLCDFICSA-N 0 3 242.363 0.992 20 0 BCADHN C[C@@H]1C[C@@H](C)CN([C@@H]2CCC(=O)NC2=O)C1 ZINC000765962697 585494318 /nfs/dbraw/zinc/49/43/18/585494318.db2.gz VBXFPJSJCKVCSN-OPRDCNLKSA-N 0 3 224.304 0.770 20 0 BCADHN C[C@@H]1C[C@@H](C)CN([C@H]2CCC(=O)NC2=O)C1 ZINC000765962693 585494453 /nfs/dbraw/zinc/49/44/53/585494453.db2.gz VBXFPJSJCKVCSN-BBBLOLIVSA-N 0 3 224.304 0.770 20 0 BCADHN C[C@@H]1C[C@H](C)CN([C@H]2CCC(=O)NC2=O)C1 ZINC000765962692 585494456 /nfs/dbraw/zinc/49/44/56/585494456.db2.gz VBXFPJSJCKVCSN-AEJSXWLSSA-N 0 3 224.304 0.770 20 0 BCADHN C[C@H]1CO[C@@H](CO)CN1C[Si](C)(C)C ZINC000766094949 585497489 /nfs/dbraw/zinc/49/74/89/585497489.db2.gz PGCMQMTZRBOHEJ-VHSXEESVSA-N 0 3 217.385 0.945 20 0 BCADHN COC[C@@H](NC[C@@H](O)c1cnn(C)c1)C1CC1 ZINC000766186932 585498795 /nfs/dbraw/zinc/49/87/95/585498795.db2.gz YXPZPUMDEHEMPV-VXGBXAGGSA-N 0 3 239.319 0.468 20 0 BCADHN Cc1nc(C(=O)NCCNc2ccncc2)no1 ZINC000766500318 585503210 /nfs/dbraw/zinc/50/32/10/585503210.db2.gz IXYHDBAORUOAPQ-UHFFFAOYSA-N 0 3 247.258 0.037 20 0 BCADHN CN(C)CCNC(=S)N1CCC[C@](C)(O)C1 ZINC000766710408 585506318 /nfs/dbraw/zinc/50/63/18/585506318.db2.gz AWGVWRJCZXRLQT-NSHDSACASA-N 0 3 245.392 0.269 20 0 BCADHN C[C@H]1CN(CCS(N)(=O)=O)CC[C@@H]1C ZINC000766984890 585512354 /nfs/dbraw/zinc/51/23/54/585512354.db2.gz PAOKRHCLJSYEED-IUCAKERBSA-N 0 3 220.338 0.253 20 0 BCADHN C[C@@H]1CCN(CCS(N)(=O)=O)C[C@@H]1C ZINC000766984888 585512460 /nfs/dbraw/zinc/51/24/60/585512460.db2.gz PAOKRHCLJSYEED-BDAKNGLRSA-N 0 3 220.338 0.253 20 0 BCADHN CN1CCN(CC[C@@H]2CCOC2=O)C(C)(C)C1 ZINC000766997651 585512674 /nfs/dbraw/zinc/51/26/74/585512674.db2.gz APVLANVRJOWTFN-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C)C1(C(=O)N2CCC[C@@](C)(O)C2)CCC1 ZINC000767132471 585514647 /nfs/dbraw/zinc/51/46/47/585514647.db2.gz SPXWDTZCWLJYNT-GFCCVEGCSA-N 0 3 240.347 0.844 20 0 BCADHN CC(=O)NC1CCN(CCC(=O)C2CC2)CC1 ZINC000767353172 585517469 /nfs/dbraw/zinc/51/74/69/585517469.db2.gz QVTXIMGZAQCFFP-UHFFFAOYSA-N 0 3 238.331 0.956 20 0 BCADHN O=C(CCN1CCNC(=O)CC1)C1CC1 ZINC000767370661 585518279 /nfs/dbraw/zinc/51/82/79/585518279.db2.gz BIVOVHGMHSGPAC-UHFFFAOYSA-N 0 3 210.277 0.178 20 0 BCADHN CNC(=S)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000768477707 585538967 /nfs/dbraw/zinc/53/89/67/585538967.db2.gz DBTLVGUJLWRICB-VHSXEESVSA-N 0 3 227.377 0.907 20 0 BCADHN CCN(CCN1CCC(C)CC1)CC(=O)NC ZINC000768554473 585540291 /nfs/dbraw/zinc/54/02/91/585540291.db2.gz IUZNIAJEHJKEJN-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN C[C@@H]1CN(CCNC(=O)OC(C)(C)C)C[C@@H]1O ZINC000768768333 585542592 /nfs/dbraw/zinc/54/25/92/585542592.db2.gz JGHHDHGCNMJXPK-ZJUUUORDSA-N 0 3 244.335 0.824 20 0 BCADHN Cc1nn(C)c(C)c1CN1C[C@@H](C)[C@@H](O)C1 ZINC000768764922 585542773 /nfs/dbraw/zinc/54/27/73/585542773.db2.gz BPIBYUQDQHJWGX-PELKAZGASA-N 0 3 223.320 0.850 20 0 BCADHN CN(C)C1(C(=O)NCCCF)CCC1 ZINC000769302376 585553136 /nfs/dbraw/zinc/55/31/36/585553136.db2.gz ADYVDSNDKLFZQE-UHFFFAOYSA-N 0 3 202.273 0.947 20 0 BCADHN C[C@H]1C[C@@H](NC(=S)NCCN(C)C)CCO1 ZINC000769558373 585559631 /nfs/dbraw/zinc/55/96/31/585559631.db2.gz RMHCBVQGVLNZQS-UWVGGRQHSA-N 0 3 245.392 0.580 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H]1CCC=CO1 ZINC000769635163 585560817 /nfs/dbraw/zinc/56/08/17/585560817.db2.gz DKTAJHIKAZZTOT-LLVKDONJSA-N 0 3 242.319 0.110 20 0 BCADHN CCN(CCO)CCNC(=O)/C=C/SC ZINC000769636073 585560975 /nfs/dbraw/zinc/56/09/75/585560975.db2.gz UFRSMRSDVYZPPL-RUDMXATFSA-N 0 3 232.349 0.294 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H]1CCC=CO1 ZINC000769635164 585561007 /nfs/dbraw/zinc/56/10/07/585561007.db2.gz DKTAJHIKAZZTOT-NSHDSACASA-N 0 3 242.319 0.110 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)CC2COC2)CN1C1CC1 ZINC000769712586 585562366 /nfs/dbraw/zinc/56/23/66/585562366.db2.gz NSCFMSYJTOQVAA-KOLCDFICSA-N 0 3 238.331 0.764 20 0 BCADHN COC[C@@H](O)C(=O)OCCN1CCCCC1 ZINC000770408674 585573738 /nfs/dbraw/zinc/57/37/38/585573738.db2.gz XJRIRSWTXRPAIK-SNVBAGLBSA-N 0 3 231.292 0.023 20 0 BCADHN CN(C)C1(C(=O)N[C@@H](CO)C2CC2)CCC1 ZINC000771025975 585587663 /nfs/dbraw/zinc/58/76/63/585587663.db2.gz ONRYYKIKVRFRMT-JTQLQIEISA-N 0 3 226.320 0.358 20 0 BCADHN CN(C)C1(C(=O)N[C@H](CO)C2CC2)CCC1 ZINC000771025977 585587673 /nfs/dbraw/zinc/58/76/73/585587673.db2.gz ONRYYKIKVRFRMT-SNVBAGLBSA-N 0 3 226.320 0.358 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](CO)C1CC1)N(CC)CC ZINC000771037861 585588175 /nfs/dbraw/zinc/58/81/75/585588175.db2.gz IERCZAVGDOEWHR-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)N[C@H](CO)C1CC1)N(C)C ZINC000771043148 585588522 /nfs/dbraw/zinc/58/85/22/585588522.db2.gz GSADKPXBMUDKOA-NXEZZACHSA-N 0 3 214.309 0.214 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)/C=C\c1cnn(C)c1 ZINC000805426320 585592116 /nfs/dbraw/zinc/59/21/16/585592116.db2.gz MRNFGJNVNIBGSC-OMMCCPJFSA-N 0 3 236.319 0.500 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Cc1ccc(F)cn1 ZINC000805425290 585592201 /nfs/dbraw/zinc/59/22/01/585592201.db2.gz ZURWDVBWUQUTCU-VIFPVBQESA-N 0 3 239.294 0.830 20 0 BCADHN Cc1cc(OCC(=O)N[C@@H](C)CN(C)C)no1 ZINC000805427136 585592315 /nfs/dbraw/zinc/59/23/15/585592315.db2.gz OQMZZTYGAVNHDH-QMMMGPOBSA-N 0 3 241.291 0.428 20 0 BCADHN COc1cccc(C(=O)N[C@@H](C)CN(C)C)n1 ZINC000805426701 585592366 /nfs/dbraw/zinc/59/23/66/585592366.db2.gz RIBRICGTTCSNJL-VIFPVBQESA-N 0 3 237.303 0.770 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)CC1COC1 ZINC000771607856 585597679 /nfs/dbraw/zinc/59/76/79/585597679.db2.gz MTQRSYMFOTWRQR-LLVKDONJSA-N 0 3 226.320 0.623 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)CC1COC1 ZINC000771607858 585597733 /nfs/dbraw/zinc/59/77/33/585597733.db2.gz MTQRSYMFOTWRQR-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN C/C=C(/C)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000771661558 585598713 /nfs/dbraw/zinc/59/87/13/585598713.db2.gz SFAJEYCTDMITBW-CTPBAPBTSA-N 0 3 240.347 0.916 20 0 BCADHN CC(C)[C@@H](C)NC(=O)CN[C@@H](CCO)C1CC1 ZINC000771793314 585600112 /nfs/dbraw/zinc/60/01/12/585600112.db2.gz AGNFDMCEQHSJLU-PWSUYJOCSA-N 0 3 242.363 0.898 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@H](CCO)C1CC1 ZINC000771793311 585600178 /nfs/dbraw/zinc/60/01/78/585600178.db2.gz AGNFDMCEQHSJLU-CMPLNLGQSA-N 0 3 242.363 0.898 20 0 BCADHN CC(C)N1CCC[C@H](N[C@H](CO)C2CC2)C1=O ZINC000771803032 585600195 /nfs/dbraw/zinc/60/01/95/585600195.db2.gz NFFYMXYDFFDSDR-NWDGAFQWSA-N 0 3 240.347 0.746 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000771796651 585600238 /nfs/dbraw/zinc/60/02/38/585600238.db2.gz RSVCXDJWWGIRFB-NSHDSACASA-N 0 3 226.320 0.718 20 0 BCADHN O=C(CN[C@@H](CO)C1CC1)NC1CCCCC1 ZINC000771819371 585601186 /nfs/dbraw/zinc/60/11/86/585601186.db2.gz MPLJMXDQMXSGEV-LBPRGKRZSA-N 0 3 240.347 0.796 20 0 BCADHN CCN(CC)CCOC(=O)C1(O)CCC1 ZINC000772036897 585607343 /nfs/dbraw/zinc/60/73/43/585607343.db2.gz AZNYOLRNGLRUFL-UHFFFAOYSA-N 0 3 215.293 0.786 20 0 BCADHN Cc1ccnc(COC(=O)C2CCN(C)C2=O)n1 ZINC000772528493 585617855 /nfs/dbraw/zinc/61/78/55/585617855.db2.gz SBOHSNFWDQKKTK-SECBINFHSA-N 0 3 249.270 0.307 20 0 BCADHN CCOCCO[N-]C(=O)[C@H]1CC[N@H+](C)C1 ZINC000772690922 585620824 /nfs/dbraw/zinc/62/08/24/585620824.db2.gz HBGRBUFHYPMZFL-VIFPVBQESA-N 0 3 216.281 0.022 20 0 BCADHN CCOCCO[N-]C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000772690922 585620825 /nfs/dbraw/zinc/62/08/25/585620825.db2.gz HBGRBUFHYPMZFL-VIFPVBQESA-N 0 3 216.281 0.022 20 0 BCADHN CN(CC1(O)CCCCC1)[C@@H]1CCN(C)C1=O ZINC000772779339 585623447 /nfs/dbraw/zinc/62/34/47/585623447.db2.gz YLXWQEQKFPEIKD-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1nccnc1N ZINC000773200426 585633442 /nfs/dbraw/zinc/63/34/42/585633442.db2.gz UDRAQHZGWFBBTH-VIFPVBQESA-N 0 3 249.318 0.273 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1nccnc1N ZINC000773200420 585633474 /nfs/dbraw/zinc/63/34/74/585633474.db2.gz UDRAQHZGWFBBTH-SECBINFHSA-N 0 3 249.318 0.273 20 0 BCADHN CN1CCC(ONC(=O)c2cscn2)CC1 ZINC000773528818 585639452 /nfs/dbraw/zinc/63/94/52/585639452.db2.gz AKNAHIXAIABWHD-UHFFFAOYSA-N 0 3 241.316 0.899 20 0 BCADHN Cc1cc(C(=O)NOC2CCN(C)CC2)on1 ZINC000773547813 585640049 /nfs/dbraw/zinc/64/00/49/585640049.db2.gz UQBGSXPUKYLSLX-UHFFFAOYSA-N 0 3 239.275 0.739 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)Cc2cccnc2)CC1 ZINC000773550053 585640051 /nfs/dbraw/zinc/64/00/51/585640051.db2.gz NXBNVQXMRGYDIF-UHFFFAOYSA-N 0 3 249.314 0.766 20 0 BCADHN COCCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000773548528 585640190 /nfs/dbraw/zinc/64/01/90/585640190.db2.gz CXGGMDGKQDZXHS-UHFFFAOYSA-N 0 3 216.281 0.165 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)C[C@@H]2CCCO2)CC1 ZINC000773548595 585640194 /nfs/dbraw/zinc/64/01/94/585640194.db2.gz ZENAZIZUOZYNCE-NSHDSACASA-N 0 3 242.319 0.698 20 0 BCADHN CN1CCC(ONC(=O)c2ccc[nH]2)CC1 ZINC000773552795 585640496 /nfs/dbraw/zinc/64/04/96/585640496.db2.gz UNVKJIAWKCMSEM-UHFFFAOYSA-N 0 3 223.276 0.770 20 0 BCADHN COCCCCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000773550916 585640514 /nfs/dbraw/zinc/64/05/14/585640514.db2.gz HJMIIIWSFDINDC-UHFFFAOYSA-N 0 3 244.335 0.945 20 0 BCADHN C[Si](C)(C)CN1CCSC[C@H]1C(N)=O ZINC000773575576 585640702 /nfs/dbraw/zinc/64/07/02/585640702.db2.gz ZMKUUKIIWGBLGE-QMMMGPOBSA-N 0 3 232.425 0.767 20 0 BCADHN Cc1cc(COC(=O)C2CCN(C)C2=O)ncn1 ZINC000774236940 585654738 /nfs/dbraw/zinc/65/47/38/585654738.db2.gz SZLDHAKNTMVXAE-JTQLQIEISA-N 0 3 249.270 0.307 20 0 BCADHN Cc1ncc(C(=O)NOC2CCN(C)CC2)[nH]1 ZINC000774293143 585656116 /nfs/dbraw/zinc/65/61/16/585656116.db2.gz ZXXRBOVWNXEJCC-UHFFFAOYSA-N 0 3 238.291 0.474 20 0 BCADHN C[C@@H]1OCC[C@H]1OC(=O)C1CCN(C)C1=O ZINC000774504439 585659941 /nfs/dbraw/zinc/65/99/41/585659941.db2.gz YRZKNBFMSQYFBM-XHNCKOQMSA-N 0 3 227.260 0.185 20 0 BCADHN CON(C)C(=O)CN1CCCN(C(C)C)CC1 ZINC000774609423 585662037 /nfs/dbraw/zinc/66/20/37/585662037.db2.gz WTPLCGJPZSZGOS-UHFFFAOYSA-N 0 3 243.351 0.422 20 0 BCADHN CON(C)C(=O)CN1C[C@H](C)C[C@@H]1C ZINC000774633777 585662510 /nfs/dbraw/zinc/66/25/10/585662510.db2.gz CAJNEKVTNFSQJW-BDAKNGLRSA-N 0 3 200.282 0.737 20 0 BCADHN CON(C)C(=O)CN1C[C@H](C)C[C@H]1C ZINC000774633781 585662518 /nfs/dbraw/zinc/66/25/18/585662518.db2.gz CAJNEKVTNFSQJW-RKDXNWHRSA-N 0 3 200.282 0.737 20 0 BCADHN C[C@H](CN1CCOCC1)N1CCN(C)[C@H](C)C1 ZINC000774736583 585664585 /nfs/dbraw/zinc/66/45/85/585664585.db2.gz FYHTZPUICUUYAF-CHWSQXEVSA-N 0 3 241.379 0.343 20 0 BCADHN CON(C)C(=O)CN1CC[C@@H](C2CC2)C1 ZINC000774763448 585665400 /nfs/dbraw/zinc/66/54/00/585665400.db2.gz LGBLEEQVOFKRQS-SNVBAGLBSA-N 0 3 212.293 0.738 20 0 BCADHN OCC[C@]1(NCc2ccc(F)nc2)CCOC1 ZINC000775028973 585670488 /nfs/dbraw/zinc/67/04/88/585670488.db2.gz ICUPJAJEWPXNKB-LBPRGKRZSA-N 0 3 240.278 0.852 20 0 BCADHN CC(C(=O)N1CCOCC[C@H]1C)S(C)(=O)=O ZINC000775514906 585678628 /nfs/dbraw/zinc/67/86/28/585678628.db2.gz KTDHPGPOLOJYHI-BDAKNGLRSA-N 0 3 249.332 0.057 20 0 BCADHN C[C@H]1CCOCCN1CCCN1CCOC1=O ZINC000775569539 585680415 /nfs/dbraw/zinc/68/04/15/585680415.db2.gz XXDSPRKNYVUUPP-NSHDSACASA-N 0 3 242.319 0.940 20 0 BCADHN CCCN(C)CC(=O)N1CCOCC[C@H]1C ZINC000775597708 585680887 /nfs/dbraw/zinc/68/08/87/585680887.db2.gz JQHFODKDMBTNDO-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H]1CCOCCN1C(=O)C1CCN(C)CC1 ZINC000775598656 585681410 /nfs/dbraw/zinc/68/14/10/585681410.db2.gz ZPEYCMBIIWOQET-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@H]1[C@@H](C)CCN1CCS(N)(=O)=O ZINC000775783110 585684369 /nfs/dbraw/zinc/68/43/69/585684369.db2.gz OLTPIXCPEYMPIS-IUCAKERBSA-N 0 3 220.338 0.395 20 0 BCADHN CC[C@@H]1[C@H](C)CCN1CCS(N)(=O)=O ZINC000775783111 585684490 /nfs/dbraw/zinc/68/44/90/585684490.db2.gz OLTPIXCPEYMPIS-RKDXNWHRSA-N 0 3 220.338 0.395 20 0 BCADHN C[C@@H]1CN(CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC000776200696 585692975 /nfs/dbraw/zinc/69/29/75/585692975.db2.gz OQVCVKHAXPVCBZ-RKDXNWHRSA-N 0 3 225.292 0.426 20 0 BCADHN CC[C@@H]1CCCN1CN1CC(=O)N(C)C1=O ZINC000776201764 585693104 /nfs/dbraw/zinc/69/31/04/585693104.db2.gz DTZLNXDCGSUUHY-SECBINFHSA-N 0 3 225.292 0.712 20 0 BCADHN CN(C)CCNC(=S)N[C@@H]1CCCOCC1 ZINC000776264688 585694142 /nfs/dbraw/zinc/69/41/42/585694142.db2.gz DBTAQBBTPCPDIN-SNVBAGLBSA-N 0 3 245.392 0.581 20 0 BCADHN c1nncn1CN1CCC[C@H]2COCC[C@H]21 ZINC000776764893 585703983 /nfs/dbraw/zinc/70/39/83/585703983.db2.gz SEVQMTGGIRLCHN-WDEREUQCSA-N 0 3 222.292 0.737 20 0 BCADHN CN(CCCn1ccnc1)Cn1cnnc1 ZINC000776761438 585704753 /nfs/dbraw/zinc/70/47/53/585704753.db2.gz BCXYBXQDKFQJCR-UHFFFAOYSA-N 0 3 220.280 0.454 20 0 BCADHN c1nncn1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000776762212 585704953 /nfs/dbraw/zinc/70/49/53/585704953.db2.gz KFLRDGUQUJYARQ-QWRGUYRKSA-N 0 3 222.292 0.594 20 0 BCADHN c1nncn1CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000776764054 585705340 /nfs/dbraw/zinc/70/53/40/585705340.db2.gz WOUHVKLGMFYTHI-VXGBXAGGSA-N 0 3 236.319 0.984 20 0 BCADHN c1ncn([C@@H]2CCN(CCC3OCCO3)C2)n1 ZINC000776875903 585706613 /nfs/dbraw/zinc/70/66/13/585706613.db2.gz BPRXYXWWRUWJIP-SNVBAGLBSA-N 0 3 238.291 0.288 20 0 BCADHN CC(C)N1CCCN(CC2OCCO2)CC1 ZINC000777572993 585715814 /nfs/dbraw/zinc/71/58/14/585715814.db2.gz QNBXKSHXUOQDRA-UHFFFAOYSA-N 0 3 228.336 0.775 20 0 BCADHN CN(CCN1CCCC1)CC1OCCO1 ZINC000777583280 585715966 /nfs/dbraw/zinc/71/59/66/585715966.db2.gz RGVJIMNAGXMJNB-UHFFFAOYSA-N 0 3 214.309 0.387 20 0 BCADHN C(C1OCCO1)N1CC[C@]2(CCOC2)C1 ZINC000777600806 585716712 /nfs/dbraw/zinc/71/67/12/585716712.db2.gz RAEJZEJIYUCISF-NSHDSACASA-N 0 3 213.277 0.472 20 0 BCADHN CN1CCC[C@@H](N2C(=O)CN(C3CC3)C2=O)C1 ZINC000777620603 585717196 /nfs/dbraw/zinc/71/71/96/585717196.db2.gz RIHFYRIPHHPNAF-SNVBAGLBSA-N 0 3 237.303 0.507 20 0 BCADHN CC(C)[C@H]1NC(=O)N([C@@H]2CCCN(C)C2)C1=O ZINC000777619272 585717315 /nfs/dbraw/zinc/71/73/15/585717315.db2.gz JKPVHGVOXFZAQH-NXEZZACHSA-N 0 3 239.319 0.657 20 0 BCADHN CN(CC1OCCO1)C[C@@H]1CCC[C@H]1O ZINC000777711631 585718485 /nfs/dbraw/zinc/71/84/85/585718485.db2.gz FYGWXGUQGZMVAQ-VHSXEESVSA-N 0 3 215.293 0.452 20 0 BCADHN C[C@@H]1[C@@H](C)N(CC2OCCO2)CCN1C ZINC000777719456 585719333 /nfs/dbraw/zinc/71/93/33/585719333.db2.gz CMWQKDQHRCMYIY-NXEZZACHSA-N 0 3 214.309 0.384 20 0 BCADHN Cc1cc(N[C@H]2CCn3ccnc3C2)nc(N)n1 ZINC000777801883 585720292 /nfs/dbraw/zinc/72/02/92/585720292.db2.gz KQYSFOMVLXQHFV-VIFPVBQESA-N 0 3 244.302 0.991 20 0 BCADHN C[C@H]1CCN(CCN2CCCC2)[C@H](C(N)=O)C1 ZINC000778295484 585730543 /nfs/dbraw/zinc/73/05/43/585730543.db2.gz PVBCUSVYJOQTNY-RYUDHWBXSA-N 0 3 239.363 0.668 20 0 BCADHN CC[C@@]1(O)CCN(C/C=C(\C)C(=O)OC)C1 ZINC000778388853 585733214 /nfs/dbraw/zinc/73/32/14/585733214.db2.gz RMEIKSQSTRSSJZ-SBKJXLNCSA-N 0 3 227.304 0.953 20 0 BCADHN CC[C@@]1(O)CCN(CCN2CCOC2=O)C1 ZINC000778405919 585734025 /nfs/dbraw/zinc/73/40/25/585734025.db2.gz WAJKHNKEXIHRMC-LLVKDONJSA-N 0 3 228.292 0.285 20 0 BCADHN CN1CCC(NC(=O)N[C@@H](CO)C2CC2)CC1 ZINC000778692573 585739379 /nfs/dbraw/zinc/73/93/79/585739379.db2.gz OGDLKPXMLMHOPT-NSHDSACASA-N 0 3 241.335 0.151 20 0 BCADHN C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1O ZINC000779273076 585749658 /nfs/dbraw/zinc/74/96/58/585749658.db2.gz KGFUKAPHNPZMDE-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@@]1(O)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000779341011 585751828 /nfs/dbraw/zinc/75/18/28/585751828.db2.gz YMPLPSOJFDSADD-GFCCVEGCSA-N 0 3 240.347 0.844 20 0 BCADHN COc1cc(CN[C@H](C)CCO)ccn1 ZINC000779342955 585751850 /nfs/dbraw/zinc/75/18/50/585751850.db2.gz QCMFKWXRDGMFSB-SECBINFHSA-N 0 3 210.277 0.951 20 0 BCADHN C[C@@H](CCO)NCCS(=O)(=O)CC1CC1 ZINC000779412950 585754285 /nfs/dbraw/zinc/75/42/85/585754285.db2.gz QCDDQRWHPGFUNU-VIFPVBQESA-N 0 3 235.349 0.172 20 0 BCADHN CC[C@@H](CO)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000779611819 585757253 /nfs/dbraw/zinc/75/72/53/585757253.db2.gz WOYDREOSGZCWOE-VHSXEESVSA-N 0 3 226.320 0.358 20 0 BCADHN CC[C@H](CO)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000779620644 585757418 /nfs/dbraw/zinc/75/74/18/585757418.db2.gz ONLQIXHZGSIDBB-NXEZZACHSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](CO)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000779637125 585757750 /nfs/dbraw/zinc/75/77/50/585757750.db2.gz GKUFHDMZPWBZTP-QJPTWQEYSA-N 0 3 242.363 0.804 20 0 BCADHN CC[C@H](CO)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000779641203 585757870 /nfs/dbraw/zinc/75/78/70/585757870.db2.gz GCSWOHYSBBIGII-MXWKQRLJSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@H](O)[C@H]1CCN(C(=S)NCCN(C)C)C1 ZINC000779728126 585759832 /nfs/dbraw/zinc/75/98/32/585759832.db2.gz UGFJKVVFEWCEBE-UWVGGRQHSA-N 0 3 245.392 0.125 20 0 BCADHN C[C@@H](O)[C@H]1CCN(C(=S)NCCN(C)C)C1 ZINC000779728128 585759927 /nfs/dbraw/zinc/75/99/27/585759927.db2.gz UGFJKVVFEWCEBE-ZJUUUORDSA-N 0 3 245.392 0.125 20 0 BCADHN CC[C@H](CO)C(=O)NCCN1CCCC1 ZINC000779729913 585760190 /nfs/dbraw/zinc/76/01/90/585760190.db2.gz AKSWXAAFTBTISV-SNVBAGLBSA-N 0 3 214.309 0.217 20 0 BCADHN CC[C@H](CO)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000779777844 585762362 /nfs/dbraw/zinc/76/23/62/585762362.db2.gz VLNLVSXNKFZKGD-ZYHUDNBSSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@@H](CO)C(=O)NC[C@H]1CCCN1C ZINC000779780959 585762542 /nfs/dbraw/zinc/76/25/42/585762542.db2.gz ZMIDBPIYOPBDOD-VHSXEESVSA-N 0 3 214.309 0.215 20 0 BCADHN CC(=O)OC(C)(C)C(=O)NC[C@H]1CCCN1C ZINC000779780172 585762576 /nfs/dbraw/zinc/76/25/76/585762576.db2.gz QKYHNRRKILQIDK-SNVBAGLBSA-N 0 3 242.319 0.539 20 0 BCADHN CC[C@@H](CO)C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000779836614 585768514 /nfs/dbraw/zinc/76/85/14/585768514.db2.gz DVTGIZBPCFQQHY-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CN(C)CCNC(=S)N1CC(C(C)(C)O)C1 ZINC000780235991 585774158 /nfs/dbraw/zinc/77/41/58/585774158.db2.gz KGIORFOAQQYBFO-UHFFFAOYSA-N 0 3 245.392 0.125 20 0 BCADHN C[C@H]1CN(CC(C)(C)O)CCN1CCF ZINC000781943480 585805762 /nfs/dbraw/zinc/80/57/62/585805762.db2.gz NRSUAGKBFSIXCK-JTQLQIEISA-N 0 3 218.316 0.733 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCCN([C@@H](C)C2CC2)C1 ZINC000782181807 585810222 /nfs/dbraw/zinc/81/02/22/585810222.db2.gz LQGVZMJTOGUQBJ-GXSJLCMTSA-N 0 3 246.376 0.799 20 0 BCADHN CNS(=O)(=O)[C@H]1CCCN([C@H](C)C2CC2)C1 ZINC000782181809 585810392 /nfs/dbraw/zinc/81/03/92/585810392.db2.gz LQGVZMJTOGUQBJ-KOLCDFICSA-N 0 3 246.376 0.799 20 0 BCADHN C[C@@H](C1CC1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000782188867 585811098 /nfs/dbraw/zinc/81/10/98/585811098.db2.gz QRTZBGQQUGFGRN-WPRPVWTQSA-N 0 3 210.277 0.921 20 0 BCADHN CO[C@H](C)CN(C)CCN1CCOC1=O ZINC000782478256 585818869 /nfs/dbraw/zinc/81/88/69/585818869.db2.gz OYMIWOZITZSTOL-SECBINFHSA-N 0 3 216.281 0.405 20 0 BCADHN CCONC(=O)NCC1(N(C)C)CCC1 ZINC000782547284 585819858 /nfs/dbraw/zinc/81/98/58/585819858.db2.gz VUVLYRAUGQWCDZ-UHFFFAOYSA-N 0 3 215.297 0.721 20 0 BCADHN COCCCN(C/C=C(/C)C(=O)OC)CCO ZINC000782578575 585820133 /nfs/dbraw/zinc/82/01/33/585820133.db2.gz JLZOUGONUTXSIX-WZUFQYTHSA-N 0 3 245.319 0.437 20 0 BCADHN C[C@@H](O)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC000783632045 585838996 /nfs/dbraw/zinc/83/89/96/585838996.db2.gz SOVVPFBATVYSHA-VHSXEESVSA-N 0 3 228.336 0.746 20 0 BCADHN CC(C)(C)OC(=O)CCNNC1=CC(=O)CN1 ZINC000783868950 585845196 /nfs/dbraw/zinc/84/51/96/585845196.db2.gz NZPPZQUCJFFLRJ-UHFFFAOYSA-N 0 3 241.291 0.666 20 0 BCADHN CCCN(C)CC(=O)NCCN1CCC[C@@H]1C ZINC000783917358 585845698 /nfs/dbraw/zinc/84/56/98/585845698.db2.gz WAYOKZPQHXDZGM-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CC(C)N(C)CC(=O)NCCN1CCC[C@H]1C ZINC000783916922 585845865 /nfs/dbraw/zinc/84/58/65/585845865.db2.gz SRBFXNOUTUJYMK-GFCCVEGCSA-N 0 3 241.379 0.927 20 0 BCADHN C[C@@H]1CN(CCS(N)(=O)=O)CC(C)(C)C1 ZINC000784349572 585856705 /nfs/dbraw/zinc/85/67/05/585856705.db2.gz GKWYICCIBZRAKN-VIFPVBQESA-N 0 3 234.365 0.643 20 0 BCADHN CC(C)(C)[C@@H]1CCN(CCS(N)(=O)=O)C1 ZINC000784509520 585861713 /nfs/dbraw/zinc/86/17/13/585861713.db2.gz GVOGVSYAIXSEKE-SECBINFHSA-N 0 3 234.365 0.643 20 0 BCADHN C[C@H](O)[C@H]1C[C@H](C)CCN1CC1OCCO1 ZINC000785547143 585875238 /nfs/dbraw/zinc/87/52/38/585875238.db2.gz SZWDAWAJUMOIGJ-OUAUKWLOSA-N 0 3 229.320 0.841 20 0 BCADHN Cc1cncc(COC(=O)C2CCN(C)C2=O)c1 ZINC000785696500 585878775 /nfs/dbraw/zinc/87/87/75/585878775.db2.gz PORMSWBPWBOXSC-LLVKDONJSA-N 0 3 248.282 0.912 20 0 BCADHN C[C@@H]1C[C@@H](CN2CCOC[C@@H]2CCO)CCO1 ZINC000785766741 585880006 /nfs/dbraw/zinc/88/00/06/585880006.db2.gz LMQYIVPZWKMYQY-AGIUHOORSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@@H]1C[C@@H](CN2CCOC[C@H]2CCO)CCO1 ZINC000785766748 585880127 /nfs/dbraw/zinc/88/01/27/585880127.db2.gz LMQYIVPZWKMYQY-FRRDWIJNSA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)c1cnn(C)n1 ZINC000786160380 585887918 /nfs/dbraw/zinc/88/79/18/585887918.db2.gz YNNOZAMXERAWBS-SNVBAGLBSA-N 0 3 239.323 0.131 20 0 BCADHN Cn1nnnc1CNC(C)(C)C1CCOCC1 ZINC000786170663 585888136 /nfs/dbraw/zinc/88/81/36/585888136.db2.gz FGERPLMDSRMSSU-UHFFFAOYSA-N 0 3 239.323 0.505 20 0 BCADHN CCN1CCN(CCCNC(=O)C(F)F)CC1 ZINC000786959487 585899094 /nfs/dbraw/zinc/89/90/94/585899094.db2.gz MNLLBAYAQRRCQX-UHFFFAOYSA-N 0 3 249.305 0.395 20 0 BCADHN COCCN(C)CCCNC(=O)C(F)F ZINC000786963122 585899110 /nfs/dbraw/zinc/89/91/10/585899110.db2.gz TYFASCRQDPGZIS-UHFFFAOYSA-N 0 3 224.251 0.336 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)[C@H](C)O ZINC000786974000 585899524 /nfs/dbraw/zinc/89/95/24/585899524.db2.gz WCMWSBLQDHOWNU-DTWKUNHWSA-N 0 3 202.298 0.070 20 0 BCADHN O=C1CN(C[C@@H]2CCSC2)CCCN1 ZINC000787132781 585902049 /nfs/dbraw/zinc/90/20/49/585902049.db2.gz ROTIFNDZULPFQV-VIFPVBQESA-N 0 3 214.334 0.561 20 0 BCADHN COCCCN(C)CCNC(=O)C(F)F ZINC000787382585 585908359 /nfs/dbraw/zinc/90/83/59/585908359.db2.gz GOMQZMZEJNLFDQ-UHFFFAOYSA-N 0 3 224.251 0.336 20 0 BCADHN CS[C@H]1CN(C(=O)C(F)F)C[C@@H]1N(C)C ZINC000787475710 585909722 /nfs/dbraw/zinc/90/97/22/585909722.db2.gz VNEQSUIFCBCYKY-BQBZGAKWSA-N 0 3 238.303 0.756 20 0 BCADHN CC1(C)OCC(CO)(NC[C@H]2CCOC2)CO1 ZINC000787665187 585913899 /nfs/dbraw/zinc/91/38/99/585913899.db2.gz WMPYNWIAVBHVFL-SNVBAGLBSA-N 0 3 245.319 0.127 20 0 BCADHN CN(C)CCN(C)C(=O)NOC[C@@H]1CCOC1 ZINC000788325787 585922095 /nfs/dbraw/zinc/92/20/95/585922095.db2.gz MTSACIUSHCALAW-SNVBAGLBSA-N 0 3 245.323 0.158 20 0 BCADHN C[C@@H](O)CCCNC(=S)NCCN(C)C ZINC000788326378 585922106 /nfs/dbraw/zinc/92/21/06/585922106.db2.gz DGAWFGTWAVWAQX-SECBINFHSA-N 0 3 233.381 0.173 20 0 BCADHN COCCN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788474124 585925278 /nfs/dbraw/zinc/92/52/78/585925278.db2.gz LTDIOIGCPKRPQU-LLVKDONJSA-N 0 3 239.319 0.802 20 0 BCADHN CCN(CC)CC(=O)N1CC(O)(C(C)C)C1 ZINC000788616854 585927774 /nfs/dbraw/zinc/92/77/74/585927774.db2.gz DZSSQLXOKPYKRT-UHFFFAOYSA-N 0 3 228.336 0.558 20 0 BCADHN CC(=O)Nc1ccc(CN[C@@H](C)CCO)cn1 ZINC000788608223 585927809 /nfs/dbraw/zinc/92/78/09/585927809.db2.gz OTJVAUAZJCTVJG-VIFPVBQESA-N 0 3 237.303 0.901 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)CC1OCCO1 ZINC000788627296 585927970 /nfs/dbraw/zinc/92/79/70/585927970.db2.gz QVUKCZGNBCPCNX-SNVBAGLBSA-N 0 3 242.319 0.350 20 0 BCADHN COCCONC(=O)N(CCN(C)C)C(C)C ZINC000789348273 585941030 /nfs/dbraw/zinc/94/10/30/585941030.db2.gz GWZDZONXHRIYHL-UHFFFAOYSA-N 0 3 247.339 0.546 20 0 BCADHN c1nncn1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000789513215 585943518 /nfs/dbraw/zinc/94/35/18/585943518.db2.gz KEMCKUWVYHGQOL-MNOVXSKESA-N 0 3 222.292 0.879 20 0 BCADHN CCN1CCCN(C(=O)c2[nH]nnc2C)CC1 ZINC000789937033 585954237 /nfs/dbraw/zinc/95/42/37/585954237.db2.gz AJCXKQTVIGCFQR-UHFFFAOYSA-N 0 3 237.307 0.281 20 0 BCADHN Cc1nn[nH]c1C(=O)NCCN1CC[C@@H](C)C1 ZINC000789971574 585955200 /nfs/dbraw/zinc/95/52/00/585955200.db2.gz VNPQRINAHKSQOF-MRVPVSSYSA-N 0 3 237.307 0.185 20 0 BCADHN C[C@@H](O)C[C@H]1CCCCN1CC1OCCO1 ZINC000790435756 585964546 /nfs/dbraw/zinc/96/45/46/585964546.db2.gz DAIHTHAXIREXPU-GHMZBOCLSA-N 0 3 229.320 0.985 20 0 BCADHN CC1(C)CN(C[C@H]2CC3(CC3)C(=O)O2)C[C@@H]1O ZINC000790448831 585964799 /nfs/dbraw/zinc/96/47/99/585964799.db2.gz DNMIXQYKCWYAPN-ZJUUUORDSA-N 0 3 239.315 0.785 20 0 BCADHN COC/C=C/C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000791372200 585979341 /nfs/dbraw/zinc/97/93/41/585979341.db2.gz LELPBVDUPXDJPE-OKPNEXGHSA-N 0 3 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ZINC000796316639 586100473 /nfs/dbraw/zinc/10/04/73/586100473.db2.gz NMIGJSVCQJWAHM-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN COC(=O)/C(C)=C\CN(C)C1(CO)CC1 ZINC000796500395 586105320 /nfs/dbraw/zinc/10/53/20/586105320.db2.gz GTKYYLJPUSOSHR-WTKPLQERSA-N 0 3 213.277 0.562 20 0 BCADHN CON(C)C(=O)CN(CC1CCC1)[C@@H](C)CO ZINC000796547342 586106966 /nfs/dbraw/zinc/10/69/66/586106966.db2.gz OZAMWGKNYOEOQJ-JTQLQIEISA-N 0 3 244.335 0.489 20 0 BCADHN C[C@@H]1OCC[C@H]1N(CCO)CCC(=O)C1CC1 ZINC000796580797 586107483 /nfs/dbraw/zinc/10/74/83/586107483.db2.gz SUKSTOFTRHJMKT-CMPLNLGQSA-N 0 3 241.331 0.827 20 0 BCADHN CN(C)c1cc(CN(C)CCC(N)=O)ccn1 ZINC000796591528 586108133 /nfs/dbraw/zinc/10/81/33/586108133.db2.gz VPYNLMVPIAMOJK-UHFFFAOYSA-N 0 3 236.319 0.455 20 0 BCADHN CO[C@H](C)C[N@H+](C)CCCOC([O-])=NC(N)=O ZINC000796643313 586109281 /nfs/dbraw/zinc/10/92/81/586109281.db2.gz XFRNHTDFLDTBGE-MRVPVSSYSA-N 0 3 247.295 0.148 20 0 BCADHN CO[C@H](C)C[N@@H+](C)CCCOC([O-])=NC(N)=O ZINC000796643313 586109282 /nfs/dbraw/zinc/10/92/82/586109282.db2.gz XFRNHTDFLDTBGE-MRVPVSSYSA-N 0 3 247.295 0.148 20 0 BCADHN CO[C@H](C)C[N@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000796643313 586109283 /nfs/dbraw/zinc/10/92/83/586109283.db2.gz XFRNHTDFLDTBGE-MRVPVSSYSA-N 0 3 247.295 0.148 20 0 BCADHN CO[C@H](C)C[N@@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000796643313 586109284 /nfs/dbraw/zinc/10/92/84/586109284.db2.gz XFRNHTDFLDTBGE-MRVPVSSYSA-N 0 3 247.295 0.148 20 0 BCADHN CC[C@H](Cn1cncn1)NCC1(C)OCCO1 ZINC000798182463 586138646 /nfs/dbraw/zinc/13/86/46/586138646.db2.gz TUUGTNHJSHPVJR-SNVBAGLBSA-N 0 3 240.307 0.409 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H]1CCN(C(C)C)C1=O ZINC000798182905 586138906 /nfs/dbraw/zinc/13/89/06/586138906.db2.gz WJEVYLXDMVCSJR-ONGXEEELSA-N 0 3 242.319 0.537 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H]1CCN(C(C)C)C1=O ZINC000798182901 586139050 /nfs/dbraw/zinc/13/90/50/586139050.db2.gz WJEVYLXDMVCSJR-GXSJLCMTSA-N 0 3 242.319 0.537 20 0 BCADHN CC(=O)OC[C@@H](C)NCCOC[C@H]1CCCO1 ZINC000798182875 586139062 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VTIBNKYFIITHFI-SNVBAGLBSA-N 0 3 230.308 0.507 20 0 BCADHN CCN(C[C@@H]1CCCO1)[C@H]1CCC(=O)NC1=O ZINC000799118923 586159003 /nfs/dbraw/zinc/15/90/03/586159003.db2.gz AZQKKJCHGLBUCM-UWVGGRQHSA-N 0 3 240.303 0.293 20 0 BCADHN C[C@@H]1CCN([C@@H]2CCC(=O)NC2=O)[C@H]1C ZINC000799125526 586159985 /nfs/dbraw/zinc/15/99/85/586159985.db2.gz OUUUHSMGQSDIEZ-HRDYMLBCSA-N 0 3 210.277 0.522 20 0 BCADHN CCC1(O)CCN(CCC(=O)N(C)OC)CC1 ZINC000799123696 586159994 /nfs/dbraw/zinc/15/99/94/586159994.db2.gz DBDDROOEYQSSBC-UHFFFAOYSA-N 0 3 244.335 0.633 20 0 BCADHN CC(C)[C@H]1CCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000799128949 586160959 /nfs/dbraw/zinc/16/09/59/586160959.db2.gz VQLUJKOPEYWZRD-VHSXEESVSA-N 0 3 224.304 0.770 20 0 BCADHN CON(C)C(=O)CCN1CC[C@@H](O)C(C)(C)C1 ZINC000799167512 586164065 /nfs/dbraw/zinc/16/40/65/586164065.db2.gz WOVSNKKSJRYTSJ-SNVBAGLBSA-N 0 3 244.335 0.489 20 0 BCADHN CCN(CCO)C[C@H](O)c1ccc(F)cn1 ZINC000799301959 586170216 /nfs/dbraw/zinc/17/02/16/586170216.db2.gz WTDLPYDJWWVPRH-NSHDSACASA-N 0 3 228.267 0.568 20 0 BCADHN C[C@@H](CO)N(C)C[C@@H](O)c1ccc(F)cn1 ZINC000799309250 586170964 /nfs/dbraw/zinc/17/09/64/586170964.db2.gz CBTCVOZBGZQDRJ-GZMMTYOYSA-N 0 3 228.267 0.567 20 0 BCADHN COC(=O)CC1(CN2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000799322792 586171750 /nfs/dbraw/zinc/17/17/50/586171750.db2.gz LBWXEQNQUFVUAP-MFKMUULPSA-N 0 3 239.315 0.644 20 0 BCADHN CO[C@H]1CCN(CC2OCCO2)[C@H](C)C1 ZINC000799343258 586172982 /nfs/dbraw/zinc/17/29/82/586172982.db2.gz CVSKUFBURTVHHS-ZJUUUORDSA-N 0 3 215.293 0.859 20 0 BCADHN CCN(CCCCCCO)[C@H]1CCNC1=O ZINC000799354191 586173425 /nfs/dbraw/zinc/17/34/25/586173425.db2.gz NHDDYRHXOLEZME-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN CN(C)c1cc(CN(C)CCCO)ccn1 ZINC000799364347 586174327 /nfs/dbraw/zinc/17/43/27/586174327.db2.gz DQAJMOLLNWKPQC-UHFFFAOYSA-N 0 3 223.320 0.962 20 0 BCADHN CN(CCCO)C[C@@H](O)c1ccc(F)cn1 ZINC000799363541 586174662 /nfs/dbraw/zinc/17/46/62/586174662.db2.gz IHTWRKWGTLBQNA-LLVKDONJSA-N 0 3 228.267 0.568 20 0 BCADHN O=CN1CCCN(CC2(O)CCCC2)CC1 ZINC000859312454 589030373 /nfs/dbraw/zinc/03/03/73/589030373.db2.gz SRNPBUVABWBOIY-UHFFFAOYSA-N 0 3 226.320 0.456 20 0 BCADHN CCN(CCOCCO)CCC(=O)C1CC1 ZINC000800429655 586219243 /nfs/dbraw/zinc/21/92/43/586219243.db2.gz HYLKZFDQUZKUHI-UHFFFAOYSA-N 0 3 229.320 0.686 20 0 BCADHN CO[C@@H]1CC[C@@H](OC(=O)C2CCN(C)C2=O)C1 ZINC000800462992 586220753 /nfs/dbraw/zinc/22/07/53/586220753.db2.gz KBZSQYYGIISNQT-OPRDCNLKSA-N 0 3 241.287 0.575 20 0 BCADHN CCC(=O)CCN(C)CCOCCO ZINC000800508072 586223593 /nfs/dbraw/zinc/22/35/93/586223593.db2.gz JCQQRHHLWRRCSL-UHFFFAOYSA-N 0 3 203.282 0.296 20 0 BCADHN Cn1nccc1CCNC1(C(N)=O)CCCC1 ZINC000801933055 586278303 /nfs/dbraw/zinc/27/83/03/586278303.db2.gz HGGQQIIFXKMLCG-UHFFFAOYSA-N 0 3 236.319 0.350 20 0 BCADHN OCCCCCCN1CC[C@@](F)(CO)C1 ZINC000802013920 586286251 /nfs/dbraw/zinc/28/62/51/586286251.db2.gz CYGNVKZCUONBBN-NSHDSACASA-N 0 3 219.300 0.945 20 0 BCADHN C[C@@H]1CCN(CN2CCC[C@@H](N(C)C)C2)C1=O ZINC000840002690 586357993 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587144276 /nfs/dbraw/zinc/14/42/76/587144276.db2.gz GAJXVVCRYFVHPU-GRYCIOLGSA-N 0 3 240.347 0.841 20 0 BCADHN CC1(CO)CCN(C(=O)CN2CCCC2)CC1 ZINC000821950371 587147984 /nfs/dbraw/zinc/14/79/84/587147984.db2.gz RAXVXTXPQQIEQG-UHFFFAOYSA-N 0 3 240.347 0.703 20 0 BCADHN C[C@@H](CNC(=O)c1cc(C=O)cn1C)N(C)C ZINC000822458387 587169373 /nfs/dbraw/zinc/16/93/73/587169373.db2.gz UHVDENISQQQXSO-VIFPVBQESA-N 0 3 237.303 0.518 20 0 BCADHN O=C(CN1CCCC1)NCCN1CC=CCC1 ZINC000822587859 587176400 /nfs/dbraw/zinc/17/64/00/587176400.db2.gz YXAWZRILMFFZAW-UHFFFAOYSA-N 0 3 237.347 0.460 20 0 BCADHN CSCCO[N-]C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000822593542 587177035 /nfs/dbraw/zinc/17/70/35/587177035.db2.gz FWRLIQVBOXUTSD-SECBINFHSA-N 0 3 232.349 0.739 20 0 BCADHN CSCCO[N-]C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000822593542 587177037 /nfs/dbraw/zinc/17/70/37/587177037.db2.gz FWRLIQVBOXUTSD-SECBINFHSA-N 0 3 232.349 0.739 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC000822787034 587186118 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/nfs/dbraw/zinc/19/92/18/587199218.db2.gz HQNQBYSZOBRDPZ-HBNTYKKESA-N 0 3 241.335 0.293 20 0 BCADHN CCOCC(=O)OCCN(CC)CC ZINC000860216567 589090040 /nfs/dbraw/zinc/09/00/40/589090040.db2.gz LBVURZYPTGBULZ-UHFFFAOYSA-N 0 3 203.282 0.908 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCC(=O)N(C)OC ZINC000823194909 587207407 /nfs/dbraw/zinc/20/74/07/587207407.db2.gz KGQPSZSQVFMLTL-LLVKDONJSA-N 0 3 243.351 0.422 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H]1O ZINC000823266051 587212570 /nfs/dbraw/zinc/21/25/70/587212570.db2.gz SHLOUMCMFCFYEL-GMTAPVOTSA-N 0 3 226.320 0.499 20 0 BCADHN COCC(C)(C)c1nc(N2CCNCC2)no1 ZINC000823335277 587216649 /nfs/dbraw/zinc/21/66/49/587216649.db2.gz RECLALZVSRBDIS-UHFFFAOYSA-N 0 3 240.307 0.403 20 0 BCADHN CCO[C@@H](C)c1nc(N2CCNCC2)no1 ZINC000823347767 587217288 /nfs/dbraw/zinc/21/72/88/587217288.db2.gz WCDVMORQHHDMRB-QMMMGPOBSA-N 0 3 226.280 0.577 20 0 BCADHN COCCCCN(C)C(=O)CN1CCCC1 ZINC000823694315 587236414 /nfs/dbraw/zinc/23/64/14/587236414.db2.gz 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BCADHN CCCN1CC[C@H](NC(=O)[C@](C)(O)CC)C1 ZINC000825625560 587328194 /nfs/dbraw/zinc/32/81/94/587328194.db2.gz NEGXTNMDEJBQOY-CMPLNLGQSA-N 0 3 228.336 0.748 20 0 BCADHN CNCC(=O)NC[C@@H]1COc2ccccc2C1 ZINC000825994639 587347886 /nfs/dbraw/zinc/34/78/86/587347886.db2.gz LZCKFHKGXSZGTD-SNVBAGLBSA-N 0 3 234.299 0.573 20 0 BCADHN CCCN(CCN(C)C)C(=O)Cc1ncc[nH]1 ZINC000826538324 587354428 /nfs/dbraw/zinc/35/44/28/587354428.db2.gz AFYDXOZSTWBKDY-UHFFFAOYSA-N 0 3 238.335 0.752 20 0 BCADHN CC1=NO[C@H](C(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000826877943 587364670 /nfs/dbraw/zinc/36/46/70/587364670.db2.gz OTLQJQFWRYABFC-MNOVXSKESA-N 0 3 239.319 0.609 20 0 BCADHN OCC1(O)CCN(C[C@@H]2CCC=CO2)CC1 ZINC000827146932 587371071 /nfs/dbraw/zinc/37/10/71/587371071.db2.gz KYPRFHBIEBLVJK-NSHDSACASA-N 0 3 227.304 0.498 20 0 BCADHN CC[C@H](N)C(=O)NCCCNc1ncccn1 ZINC000827214783 587373007 /nfs/dbraw/zinc/37/30/07/587373007.db2.gz KCCSTZIOERTLBJ-VIFPVBQESA-N 0 3 237.307 0.132 20 0 BCADHN CN1CCC(C(=O)Nc2ncccc2CO)CC1 ZINC000827301975 587376084 /nfs/dbraw/zinc/37/60/84/587376084.db2.gz JAAZEGFGCBKLQB-UHFFFAOYSA-N 0 3 249.314 0.854 20 0 BCADHN CCN(CC[S@@](C)=O)C[C@H]1CCOC1 ZINC000827792288 587402607 /nfs/dbraw/zinc/40/26/07/587402607.db2.gz COBCGEUKNUUWOT-QMTHXVAHSA-N 0 3 219.350 0.723 20 0 BCADHN CC[C@@H](N)C(=O)NCc1nc(C2CC2)no1 ZINC000827837911 587405405 /nfs/dbraw/zinc/40/54/05/587405405.db2.gz ODADNINWLNDBDG-SSDOTTSWSA-N 0 3 224.264 0.301 20 0 BCADHN C[S@](=O)CCN1CCC[C@H](n2ccnc2)C1 ZINC000827877236 587406918 /nfs/dbraw/zinc/40/69/18/587406918.db2.gz QOXDOIXCWWRDAZ-ZBEGNZNMSA-N 0 3 241.360 0.899 20 0 BCADHN C[S@](=O)CCN1CCC[C@@H](n2ccnc2)C1 ZINC000827877234 587407144 /nfs/dbraw/zinc/40/71/44/587407144.db2.gz QOXDOIXCWWRDAZ-BZNIZROVSA-N 0 3 241.360 0.899 20 0 BCADHN CN(CC[S@@](C)=O)[C@H]1CCN(C2CC2)C1 ZINC000827919792 587409784 /nfs/dbraw/zinc/40/97/84/587409784.db2.gz ORKGQTRCCVWMLA-XHDPSFHLSA-N 0 3 230.377 0.533 20 0 BCADHN C[S@](=O)CCN(CCCCO)C1CC1 ZINC000827935854 587411047 /nfs/dbraw/zinc/41/10/47/587411047.db2.gz BVCYLGPWRDQCGX-AWEZNQCLSA-N 0 3 219.350 0.602 20 0 BCADHN COC(=O)CC1(NCC[S@@](C)=O)CCC1 ZINC000828192998 587423540 /nfs/dbraw/zinc/42/35/40/587423540.db2.gz JAQVNQIVRWKLMM-OAHLLOKOSA-N 0 3 233.333 0.440 20 0 BCADHN C[C@@H]1CC(O)C[C@@H](C)N1CC[S@@](C)=O ZINC000828382361 587439614 /nfs/dbraw/zinc/43/96/14/587439614.db2.gz RSDZHFHAXSSOOH-RFXMVYNHSA-N 0 3 219.350 0.599 20 0 BCADHN CO[C@@H]1CN(CC[S@](C)=O)CC[C@@H]1C ZINC000828390447 587439863 /nfs/dbraw/zinc/43/98/63/587439863.db2.gz XOBBJXGIPDRQAK-RBZYPMLTSA-N 0 3 219.350 0.722 20 0 BCADHN CO[C@@H]1CN(CC[S@@](C)=O)CC[C@@H]1C ZINC000828390446 587439978 /nfs/dbraw/zinc/43/99/78/587439978.db2.gz XOBBJXGIPDRQAK-IMSIIYSGSA-N 0 3 219.350 0.722 20 0 BCADHN C[S@](=O)CCNC(C)(C)C(=O)N1CCCC1 ZINC000828456943 587443438 /nfs/dbraw/zinc/44/34/38/587443438.db2.gz KXLGPPHJZXLLHG-INIZCTEOSA-N 0 3 246.376 0.356 20 0 BCADHN CC[C@@H]1CN(CC[S@](C)=O)CCCO1 ZINC000828462099 587444033 /nfs/dbraw/zinc/44/40/33/587444033.db2.gz LCTAHLSINCRWCJ-YGRLFVJLSA-N 0 3 219.350 0.866 20 0 BCADHN C[S@@](=O)CCN1CCC[C@@]2(CCOC2)C1 ZINC000828609977 587453560 /nfs/dbraw/zinc/45/35/60/587453560.db2.gz QSMWDHCVOYEXBR-IAQYHMDHSA-N 0 3 231.361 0.867 20 0 BCADHN CC(C)CC(=O)CCN1CCC[C@](O)(CO)C1 ZINC000828615200 587453823 /nfs/dbraw/zinc/45/38/23/587453823.db2.gz NIQTVFRQTNLALH-CYBMUJFWSA-N 0 3 243.347 0.811 20 0 BCADHN C[C@@H]1[C@@H](CO)CCCN1CC[S@@](C)=O ZINC000828627039 587454304 /nfs/dbraw/zinc/45/43/04/587454304.db2.gz NGKNEAGIAXCBAM-GPCCPHFNSA-N 0 3 219.350 0.458 20 0 BCADHN CC1=NO[C@H](C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000828676840 587457012 /nfs/dbraw/zinc/45/70/12/587457012.db2.gz ANYJCOKPYYHSGZ-DCAQKATOSA-N 0 3 239.319 0.750 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](O)C1 ZINC000828844087 587465965 /nfs/dbraw/zinc/46/59/65/587465965.db2.gz KVJQFTNEGQBWRK-IJLUTSLNSA-N 0 3 240.347 0.746 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@@](C)(N)CCC ZINC000828882737 587468737 /nfs/dbraw/zinc/46/87/37/587468737.db2.gz CZAHQPPMCSSHFL-LBPRGKRZSA-N 0 3 244.335 0.963 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@@H](C)c1ccnn1C ZINC000828914706 587471642 /nfs/dbraw/zinc/47/16/42/587471642.db2.gz LATIDYSMMXWQBM-VIFPVBQESA-N 0 3 247.302 0.872 20 0 BCADHN CC(C)c1nccn1CCNC(=O)[C@@H](C)N ZINC000828965934 587476202 /nfs/dbraw/zinc/47/62/02/587476202.db2.gz RHUOMIFGSFESNQ-SECBINFHSA-N 0 3 224.308 0.470 20 0 BCADHN CC(C)N1C(=S)N=NC1CNC(=O)[C@@H](C)N ZINC000829008441 587479385 /nfs/dbraw/zinc/47/93/85/587479385.db2.gz KHNVCEAPFJDHJV-ZCFIWIBFSA-N 0 3 243.336 0.111 20 0 BCADHN CC1(C(N)=O)CN(CC[C@H](O)c2ccccc2)C1 ZINC000829076022 587482220 /nfs/dbraw/zinc/48/22/20/587482220.db2.gz YIJSWKYVICRVHV-LBPRGKRZSA-N 0 3 248.326 0.917 20 0 BCADHN CC/C(C)=C\C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000829327733 587492891 /nfs/dbraw/zinc/49/28/91/587492891.db2.gz MOJGNQKJBFZMBH-UMAGTOLTSA-N 0 3 226.320 0.526 20 0 BCADHN CN(CCO)C[C@]1(O)CCc2ccccc21 ZINC000829338818 587493259 /nfs/dbraw/zinc/49/32/59/587493259.db2.gz ZVCYAZKZKUORGY-CYBMUJFWSA-N 0 3 221.300 0.745 20 0 BCADHN C[C@H](CO)N(CC[S@](C)=O)CC1CCC1 ZINC000829367888 587494164 /nfs/dbraw/zinc/49/41/64/587494164.db2.gz WTASHHHGRWAZSQ-BMIGLBTASA-N 0 3 233.377 0.848 20 0 BCADHN C[C@H](CO)CN1CCC2(C1)OCCO2 ZINC000121383360 587494942 /nfs/dbraw/zinc/49/49/42/587494942.db2.gz YONIDGPZOHIWFS-VIFPVBQESA-N 0 3 201.266 0.064 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[C@@]2(O)C1 ZINC000829407951 587496173 /nfs/dbraw/zinc/49/61/73/587496173.db2.gz KABQGTBVQVMTFF-NQBHXWOUSA-N 0 3 238.331 0.452 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@H](O)C2CC2)C1 ZINC000829442518 587497166 /nfs/dbraw/zinc/49/71/66/587497166.db2.gz XWDVUXJTUIEUOY-MWLCHTKSSA-N 0 3 226.320 0.215 20 0 BCADHN CCc1cc(CNC(=O)[C@H](N)C2CCC2)[nH]n1 ZINC000829500635 587500864 /nfs/dbraw/zinc/50/08/64/587500864.db2.gz ORGQKNZDUMUJCF-LLVKDONJSA-N 0 3 236.319 0.716 20 0 BCADHN CCc1cc(CNC(=O)[C@H](N)C2CCC2)n[nH]1 ZINC000829500635 587500865 /nfs/dbraw/zinc/50/08/65/587500865.db2.gz ORGQKNZDUMUJCF-LLVKDONJSA-N 0 3 236.319 0.716 20 0 BCADHN C[S@](=O)CCN1CCCCC[C@H]1CCO ZINC000829536057 587502444 /nfs/dbraw/zinc/50/24/44/587502444.db2.gz NDHCHINPQOFLSG-NHYWBVRUSA-N 0 3 233.377 0.992 20 0 BCADHN O=C(NCC1CCSCC1)[C@]1(F)CCNC1 ZINC000829548182 587503564 /nfs/dbraw/zinc/50/35/64/587503564.db2.gz BUBRYQPZITZDPD-NSHDSACASA-N 0 3 246.351 0.947 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1CC1CCCC1 ZINC000829562183 587504052 /nfs/dbraw/zinc/50/40/52/587504052.db2.gz ZPQLNKOJLWRPCR-QMMMGPOBSA-N 0 3 246.332 0.584 20 0 BCADHN CC1=NO[C@@H](C(=O)N2CCNC(C)(C)C2)C1 ZINC000829581422 587504357 /nfs/dbraw/zinc/50/43/57/587504357.db2.gz DAAAACPSBZOALS-SECBINFHSA-N 0 3 225.292 0.362 20 0 BCADHN C(C1OCCO1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000829594162 587505161 /nfs/dbraw/zinc/50/51/61/587505161.db2.gz XZQVDDXRRKQKMS-ZJUUUORDSA-N 0 3 213.277 0.470 20 0 BCADHN CN(C)Cc1cccc(C(=O)N2CC=C(N)N2)c1 ZINC000829832069 587521331 /nfs/dbraw/zinc/52/13/31/587521331.db2.gz YNGRVGIDKYRPBE-UHFFFAOYSA-N 0 3 246.314 0.509 20 0 BCADHN CCC(C)(C)N[C@@H](C)C(=O)N1CC=C(N)N1 ZINC000829841360 587522494 /nfs/dbraw/zinc/52/24/94/587522494.db2.gz XQIBHMMEQVEGHG-QMMMGPOBSA-N 0 3 226.324 0.300 20 0 BCADHN CCC[C@](C)(N)C(=O)NCc1nonc1C ZINC000829865813 587526182 /nfs/dbraw/zinc/52/61/82/587526182.db2.gz RCKIAOOPUPPXTE-JTQLQIEISA-N 0 3 226.280 0.512 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@H]2CCOC2)CCN1C ZINC000830110463 587536194 /nfs/dbraw/zinc/53/61/94/587536194.db2.gz GPFLBCOREHJBJR-KXUCPTDWSA-N 0 3 212.293 0.232 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)C2(n3cccn3)CC2)CCN1C ZINC000830113172 587536788 /nfs/dbraw/zinc/53/67/88/587536788.db2.gz VZVIPKKGLPYNHO-MNOVXSKESA-N 0 3 248.330 0.581 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCN1C ZINC000830136072 587538057 /nfs/dbraw/zinc/53/80/57/587538057.db2.gz VELXOEXQUWXXNH-VXGBXAGGSA-N 0 3 239.363 0.680 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N1CCOCN1 ZINC000830232263 587540554 /nfs/dbraw/zinc/54/05/54/587540554.db2.gz LKNSMBCOIHZTEZ-SNVBAGLBSA-N 0 3 227.308 0.180 20 0 BCADHN COC[C@H](NC(=O)[C@]1(F)CCNC1)C(C)C ZINC000830428057 587551082 /nfs/dbraw/zinc/55/10/82/587551082.db2.gz ATVUZZSMDZVORW-ONGXEEELSA-N 0 3 232.299 0.475 20 0 BCADHN C[C@@H](CO)CN1CC[C@H](OC(=O)N(C)C)C1 ZINC000830509422 587554838 /nfs/dbraw/zinc/55/48/38/587554838.db2.gz ISPXRFKZAXGUTK-ZJUUUORDSA-N 0 3 230.308 0.387 20 0 BCADHN CN(CCN1CCOC1=O)CC(C)(C)CO ZINC000830696590 587564428 /nfs/dbraw/zinc/56/44/28/587564428.db2.gz HNXZVCXWPXNZOZ-UHFFFAOYSA-N 0 3 230.308 0.389 20 0 BCADHN CC[C@H](C[C@H](C)O)NC(=O)CN(C)C(C)C ZINC000831262001 587594271 /nfs/dbraw/zinc/59/42/71/587594271.db2.gz WIYYNCAOZKVNME-WDEREUQCSA-N 0 3 230.352 0.992 20 0 BCADHN CC[C@H](C[C@H](C)O)NC(=O)Cc1nc[nH]c1C ZINC000831311405 587597952 /nfs/dbraw/zinc/59/79/52/587597952.db2.gz OCJMYIKTYCLUIP-WCBMZHEXSA-N 0 3 239.319 0.926 20 0 BCADHN CN(CCC1CC1)C(=O)[C@]1(F)CCNC1 ZINC000831427919 587606031 /nfs/dbraw/zinc/60/60/31/587606031.db2.gz WXUOCLKRPPYFQD-NSHDSACASA-N 0 3 214.284 0.947 20 0 BCADHN CC(C(=O)NCCC1CC=CC1)S(C)(=O)=O ZINC000831450174 587607988 /nfs/dbraw/zinc/60/79/88/587607988.db2.gz WYMWXIOOHVVOQX-VIFPVBQESA-N 0 3 245.344 0.892 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cccc[n+]1[O-] ZINC000831546021 587618300 /nfs/dbraw/zinc/61/83/00/587618300.db2.gz HECCGIMJISJNDE-VHSXEESVSA-N 0 3 235.287 0.142 20 0 BCADHN CCO[C@@H](CNC(=O)C12CC(C1)C2)CN(C)C ZINC000831701460 587628013 /nfs/dbraw/zinc/62/80/13/587628013.db2.gz CWSKMQKWBBHQOH-AKJDGMEZSA-N 0 3 240.347 0.869 20 0 BCADHN CC1=NO[C@H](C(=O)NCC2=CCN(C)CC2)C1 ZINC000831726587 587628837 /nfs/dbraw/zinc/62/88/37/587628837.db2.gz DCFNITCCMBPMDP-NSHDSACASA-N 0 3 237.303 0.529 20 0 BCADHN CCO[C@@H](CNC(=O)C1(C)CC1)CN(C)C ZINC000831737861 587629829 /nfs/dbraw/zinc/62/98/29/587629829.db2.gz MEBISKUJYVFQBU-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN CCO[C@H](CNC(=O)[C@H](C)OCC)CN(C)C ZINC000831766691 587631011 /nfs/dbraw/zinc/63/10/11/587631011.db2.gz VQOAQQOPYOUUJY-WDEREUQCSA-N 0 3 246.351 0.494 20 0 BCADHN CCO[C@H](CNC(=O)c1ccn[nH]1)CN(C)C ZINC000831765854 587631019 /nfs/dbraw/zinc/63/10/19/587631019.db2.gz DXBVAZFYKGCFLC-SECBINFHSA-N 0 3 240.307 0.106 20 0 BCADHN CCO[C@H](CNC(=O)c1ccoc1)CN(C)C ZINC000831770908 587631637 /nfs/dbraw/zinc/63/16/37/587631637.db2.gz GIFBIAYULNJDDV-LLVKDONJSA-N 0 3 240.303 0.976 20 0 BCADHN O=C(NC1Cc2ccccc2C1)[C@@]1(F)CCNC1 ZINC000831839876 587633875 /nfs/dbraw/zinc/63/38/75/587633875.db2.gz IKPDULQXKDMMCO-CQSZACIVSA-N 0 3 248.301 0.972 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(N)cc1[O-])[NH+](C)C ZINC000831870719 587635077 /nfs/dbraw/zinc/63/50/77/587635077.db2.gz BNNKJKCWRGJHOA-QMMMGPOBSA-N 0 3 237.303 0.654 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@@](C)(N)CCC ZINC000831916040 587636190 /nfs/dbraw/zinc/63/61/90/587636190.db2.gz GHUXOWKLAFJDBT-LBPRGKRZSA-N 0 3 244.335 0.963 20 0 BCADHN O=C(NCc1ncccc1[O-])[C@]1(F)CC[NH2+]C1 ZINC000831926992 587636696 /nfs/dbraw/zinc/63/66/96/587636696.db2.gz BKYZHTVWDSMDTR-NSHDSACASA-N 0 3 239.250 0.105 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000831921035 587636724 /nfs/dbraw/zinc/63/67/24/587636724.db2.gz HENAMRMMLUJBSJ-DKCNOQQISA-N 0 3 240.278 0.711 20 0 BCADHN O=C(N[C@@H]1CCCC[C@H]1O)[C@]1(F)CCNC1 ZINC000831922053 587637117 /nfs/dbraw/zinc/63/71/17/587637117.db2.gz XTLVRUCFGHVAQX-KKZNHRDASA-N 0 3 230.283 0.108 20 0 BCADHN CC(C)OCCNC(=O)[C@]1(F)CCNC1 ZINC000831938820 587637331 /nfs/dbraw/zinc/63/73/31/587637331.db2.gz BRQYXABWJMTMGC-JTQLQIEISA-N 0 3 218.272 0.229 20 0 BCADHN CO[C@H]1CCCC[C@@H]1NC(=O)[C@]1(F)CCNC1 ZINC000831938952 587637481 /nfs/dbraw/zinc/63/74/81/587637481.db2.gz GWBJCSWQLDERGS-NHCYSSNCSA-N 0 3 244.310 0.762 20 0 BCADHN O=C([O-])N1CC[C@@H](NCCC[NH+]2CCCC2)C1 ZINC000831953341 587638460 /nfs/dbraw/zinc/63/84/60/587638460.db2.gz IARKLQVYRFXCMR-LLVKDONJSA-N 0 3 241.335 0.814 20 0 BCADHN O=C([O-])N1CC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000831953341 587638462 /nfs/dbraw/zinc/63/84/62/587638462.db2.gz IARKLQVYRFXCMR-LLVKDONJSA-N 0 3 241.335 0.814 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCOC(=O)C1CC1 ZINC000832181954 587648402 /nfs/dbraw/zinc/64/84/02/587648402.db2.gz AYAVKQRBLRKFLP-SECBINFHSA-N 0 3 228.292 0.039 20 0 BCADHN N[C@H](C(=O)NCCOC(=O)C1CC1)C1CCC1 ZINC000832182254 587648726 /nfs/dbraw/zinc/64/87/26/587648726.db2.gz FVUOPTMEERTIJO-JTQLQIEISA-N 0 3 240.303 0.183 20 0 BCADHN Nc1ccc(C(=O)N2CCC(C[NH3+])CC2)c([O-])c1 ZINC000832316202 587654106 /nfs/dbraw/zinc/65/41/06/587654106.db2.gz ISUIBWXZDFKTMS-UHFFFAOYSA-N 0 3 249.314 0.785 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cc(C=O)cn1C ZINC000832535034 587665551 /nfs/dbraw/zinc/66/55/51/587665551.db2.gz VLTKSSMMPBCGEY-VIFPVBQESA-N 0 3 237.303 0.518 20 0 BCADHN COC[C@@H]1CCCCN1CCN1CCOC1=O ZINC000832605575 587669043 /nfs/dbraw/zinc/66/90/43/587669043.db2.gz DNPDKDBERJUMQS-NSHDSACASA-N 0 3 242.319 0.940 20 0 BCADHN CCC[C@@H](O)CCNC(=O)Cc1nc[nH]c1C ZINC000832667615 587676225 /nfs/dbraw/zinc/67/62/25/587676225.db2.gz LLLPANZIYXNIFX-SNVBAGLBSA-N 0 3 239.319 0.928 20 0 BCADHN CC(C)[C@@H](C(=O)NCC1OCCCO1)N(C)C ZINC000832782486 587689445 /nfs/dbraw/zinc/68/94/45/587689445.db2.gz SGWICWILDHKSGQ-NSHDSACASA-N 0 3 244.335 0.452 20 0 BCADHN CC[C@H](C(=O)NCC1OCCCO1)N(C)C ZINC000832782219 587689496 /nfs/dbraw/zinc/68/94/96/587689496.db2.gz QWBDCHXXACPYAY-SECBINFHSA-N 0 3 230.308 0.206 20 0 BCADHN O=S(=O)(CCCN1CCCC1)N1CCCO1 ZINC000867081947 587694567 /nfs/dbraw/zinc/69/45/67/587694567.db2.gz SSNMYGDYORSOSI-UHFFFAOYSA-N 0 3 248.348 0.439 20 0 BCADHN CCC/C=C/C(=O)NOCCN(C)C ZINC000833859936 587737113 /nfs/dbraw/zinc/73/71/13/587737113.db2.gz WLXASGKFGATGSI-VOTSOKGWSA-N 0 3 200.282 0.952 20 0 BCADHN CN1CCN(C(=O)C=C2CCCC2)[C@H](CN)C1 ZINC000834298980 587750929 /nfs/dbraw/zinc/75/09/29/587750929.db2.gz FZUOZSOIIYDXNO-GFCCVEGCSA-N 0 3 237.347 0.588 20 0 BCADHN C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(N)cc1[O-] ZINC000834365587 587753187 /nfs/dbraw/zinc/75/31/87/587753187.db2.gz IBQQUUJXTVVTTQ-BDAKNGLRSA-N 0 3 249.314 0.784 20 0 BCADHN C[C@@H](C[NH3+])NC(=O)c1nnc2ccccc2c1[O-] ZINC000834610889 587760925 /nfs/dbraw/zinc/76/09/25/587760925.db2.gz NYRRUJPNLGQWDR-ZETCQYMHSA-N 0 3 246.270 0.412 20 0 BCADHN CC(=O)c1ccc(C(=O)N[C@@H](C)CN)o1 ZINC000834623116 587761519 /nfs/dbraw/zinc/76/15/19/587761519.db2.gz XULSWZDUEPUAFC-LURJTMIESA-N 0 3 210.233 0.559 20 0 BCADHN C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(N)cc1[O-] ZINC000834771648 587766799 /nfs/dbraw/zinc/76/67/99/587766799.db2.gz ZBLMNFIEBLVGNB-XVKPBYJWSA-N 0 3 235.287 0.536 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)c1ncccn1 ZINC000834846375 587768517 /nfs/dbraw/zinc/76/85/17/587768517.db2.gz UOSFTUCDJDZVQY-ZETCQYMHSA-N 0 3 242.229 0.204 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@H](C)CCO ZINC000834904287 587770075 /nfs/dbraw/zinc/77/00/75/587770075.db2.gz OCZPRLGERBEHAJ-OPRDCNLKSA-N 0 3 203.282 0.151 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H](C)CCO ZINC000834904286 587770078 /nfs/dbraw/zinc/77/00/78/587770078.db2.gz OCZPRLGERBEHAJ-IVZWLZJFSA-N 0 3 203.282 0.151 20 0 BCADHN CCC[C@@H](COC(=O)C1CCN(C)C1=O)OC ZINC000835546475 587807297 /nfs/dbraw/zinc/80/72/97/587807297.db2.gz TYXXWYGKFRPBNZ-UWVGGRQHSA-N 0 3 243.303 0.823 20 0 BCADHN CC(C)CONC(=O)NC[C@H](C)N(C)C ZINC000836371772 587831746 /nfs/dbraw/zinc/83/17/46/587831746.db2.gz QNUQXXCPYGYWBR-VIFPVBQESA-N 0 3 217.313 0.823 20 0 BCADHN C[C@@H](CNC(=O)NC[C@@H]1CCC=CO1)N(C)C ZINC000836413123 587832914 /nfs/dbraw/zinc/83/29/14/587832914.db2.gz INZIXDHJXATRNY-QWRGUYRKSA-N 0 3 241.335 0.928 20 0 BCADHN CC(C)ONC(=O)NC[C@H](C)N(C)C ZINC000836624030 587835771 /nfs/dbraw/zinc/83/57/71/587835771.db2.gz XOLHUVDLHVLSGA-QMMMGPOBSA-N 0 3 203.286 0.576 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1cnsn1 ZINC000837244620 587860928 /nfs/dbraw/zinc/86/09/28/587860928.db2.gz SLMMFZCVCMXXRN-UHFFFAOYSA-N 0 3 228.321 0.608 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1cc(C=O)c[nH]1 ZINC000837246396 587861257 /nfs/dbraw/zinc/86/12/57/587861257.db2.gz PNBHPFBQYHZYSV-UHFFFAOYSA-N 0 3 237.303 0.897 20 0 BCADHN CN(CCF)C(=O)NC[C@@H]1CCCN1C ZINC000837873535 587901827 /nfs/dbraw/zinc/90/18/27/587901827.db2.gz ZHNHRHLNKXBYKX-VIFPVBQESA-N 0 3 217.288 0.692 20 0 BCADHN COCC[C@H](C)OC(=O)C1CCCN(C)C1=O ZINC000837957113 587905477 /nfs/dbraw/zinc/90/54/77/587905477.db2.gz BTUMZNOQHHBUTN-UWVGGRQHSA-N 0 3 243.303 0.823 20 0 BCADHN C[C@H](F)CCNC(=S)NCCN(C)C ZINC000840756008 587920081 /nfs/dbraw/zinc/92/00/81/587920081.db2.gz NXNHXDBYJCBKPP-QMMMGPOBSA-N 0 3 221.345 0.760 20 0 BCADHN CO[C@@H](CNC(=S)NCCN(C)C)C1CC1 ZINC000840759597 587920281 /nfs/dbraw/zinc/92/02/81/587920281.db2.gz ZNQCZQZPPFABCV-JTQLQIEISA-N 0 3 245.392 0.437 20 0 BCADHN CCOCCNC(=S)NC(C)(C)CN(C)C ZINC000840838460 587924888 /nfs/dbraw/zinc/92/48/88/587924888.db2.gz PCCKISWQLSYNAF-UHFFFAOYSA-N 0 3 247.408 0.827 20 0 BCADHN C[C@H]1C[C@H]1CNCCS(=O)(=O)C1CC1 ZINC000840965396 587932487 /nfs/dbraw/zinc/93/24/87/587932487.db2.gz FQGHGCBLJMZPPN-IUCAKERBSA-N 0 3 217.334 0.809 20 0 BCADHN CN(C)C1(CNC(=O)c2c[nH]c(=S)[nH]2)CC1 ZINC000841455419 587955119 /nfs/dbraw/zinc/95/51/19/587955119.db2.gz QZRYUFKBJVLRSJ-UHFFFAOYSA-N 0 3 240.332 0.522 20 0 BCADHN CO[C@H](C)CC(=O)NCC1(N(C)C)CC1 ZINC000841452483 587955403 /nfs/dbraw/zinc/95/54/03/587955403.db2.gz BKZIGQQKWZSYMS-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN CN(C)C1(CNC(=O)c2cnsn2)CC1 ZINC000841453855 587955467 /nfs/dbraw/zinc/95/54/67/587955467.db2.gz XZLGKAHSJYNEMQ-UHFFFAOYSA-N 0 3 226.305 0.362 20 0 BCADHN Nc1ccc(C(=O)NCC2CC[NH2+]CC2)c([O-])c1 ZINC000841846229 587977161 /nfs/dbraw/zinc/97/71/61/587977161.db2.gz MBQBSDKAWDNARY-UHFFFAOYSA-N 0 3 249.314 0.704 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ccc(N)cc2O)[C@H]1C ZINC000841850244 587977791 /nfs/dbraw/zinc/97/77/91/587977791.db2.gz GIYPXUWDCKABBQ-BDAKNGLRSA-N 0 3 249.314 0.797 20 0 BCADHN Cc1nnc2cc(NCC3(N(C)C)CC3)ncn12 ZINC000842047007 587992982 /nfs/dbraw/zinc/99/29/82/587992982.db2.gz MLMJEPJGIKCJMC-UHFFFAOYSA-N 0 3 246.318 0.939 20 0 BCADHN CC[C@@H](COC(=O)C1CCCN(C)C1=O)OC ZINC000842102192 588000027 /nfs/dbraw/zinc/00/00/27/588000027.db2.gz KTVBERZQSRMURS-VHSXEESVSA-N 0 3 243.303 0.823 20 0 BCADHN CC[C@@H](CNC1(CO)COC(C)(C)OC1)OC ZINC000842156049 588004016 /nfs/dbraw/zinc/00/40/16/588004016.db2.gz HRNJGIVWNAVTAK-JTQLQIEISA-N 0 3 247.335 0.515 20 0 BCADHN COC(=O)CNC(=O)[C@@H]1CCCN1C(C)C ZINC000842167748 588005799 /nfs/dbraw/zinc/00/57/99/588005799.db2.gz HHTXYSNIFIURQI-VIFPVBQESA-N 0 3 228.292 0.148 20 0 BCADHN CC(C)C(NC(=O)C(=O)N[C@@H](C)CN)C(C)C ZINC000842203486 588006893 /nfs/dbraw/zinc/00/68/93/588006893.db2.gz SQFYFBWUZHCLAV-VIFPVBQESA-N 0 3 243.351 0.247 20 0 BCADHN CCCCC[C@@H](C)NC(=O)C(=O)N[C@H](C)CN ZINC000842221088 588007447 /nfs/dbraw/zinc/00/74/47/588007447.db2.gz PEFVAMUJOCRDMM-NXEZZACHSA-N 0 3 243.351 0.535 20 0 BCADHN CNc1c(Cl)ncnc1N1CCN[C@H](C)C1 ZINC000842274939 588011108 /nfs/dbraw/zinc/01/11/08/588011108.db2.gz OTEHGVDZRUYXIY-SSDOTTSWSA-N 0 3 241.726 0.970 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCC1CCC(F)CC1 ZINC000842514301 588032383 /nfs/dbraw/zinc/03/23/83/588032383.db2.gz AYONXNCFQAKHMP-HORUIINNSA-N 0 3 214.284 0.978 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1CC1=CCCC1 ZINC000842570574 588043417 /nfs/dbraw/zinc/04/34/17/588043417.db2.gz BSENCDDVCDYTFU-MRVPVSSYSA-N 0 3 244.316 0.504 20 0 BCADHN COc1ncncc1CNC[C@@H]1CCOC1 ZINC000842672110 588051156 /nfs/dbraw/zinc/05/11/56/588051156.db2.gz XUMNDMQROCVDSX-VIFPVBQESA-N 0 3 223.276 0.611 20 0 BCADHN COc1ncncc1CNC[C@H](C)CCO ZINC000842689592 588053113 /nfs/dbraw/zinc/05/31/13/588053113.db2.gz ASPAJAKSNBCNEH-SECBINFHSA-N 0 3 225.292 0.593 20 0 BCADHN COc1ncncc1CNCCc1ccnn1C ZINC000842696592 588053443 /nfs/dbraw/zinc/05/34/43/588053443.db2.gz FQRAFUPSCSKHMZ-UHFFFAOYSA-N 0 3 247.302 0.551 20 0 BCADHN C[C@@H]1C[C@H](NCC2(C)OCCCO2)CO1 ZINC000842701393 588054022 /nfs/dbraw/zinc/05/40/22/588054022.db2.gz DZMSQZYUSVUEQM-ZJUUUORDSA-N 0 3 215.293 0.907 20 0 BCADHN Cc1cc(CNCCCc2ncn(C)n2)n(C)n1 ZINC000842738305 588057706 /nfs/dbraw/zinc/05/77/06/588057706.db2.gz CKPNXTCKBOHSSH-UHFFFAOYSA-N 0 3 248.334 0.579 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CCC[C@@H](OC)C1 ZINC000842769210 588061510 /nfs/dbraw/zinc/06/15/10/588061510.db2.gz MFONDULYOWGIMI-GHMZBOCLSA-N 0 3 244.335 0.944 20 0 BCADHN C[C@@H](O)[C@@H](CO)NC[C@@H](O)c1ccc(F)cc1 ZINC000843063422 588078746 /nfs/dbraw/zinc/07/87/46/588078746.db2.gz ZRFTVSLICQWFEU-GGZOMVNGSA-N 0 3 243.278 0.190 20 0 BCADHN O[C@@H](CNC[C@H](O)c1ccc(F)cn1)C1CC1 ZINC000843070342 588078929 /nfs/dbraw/zinc/07/89/29/588078929.db2.gz ALDFHQSLXOTTBH-RYUDHWBXSA-N 0 3 240.278 0.615 20 0 BCADHN CC(C)C[C@H](O)CNC[C@H](C)S(C)(=O)=O ZINC000843070352 588079161 /nfs/dbraw/zinc/07/91/61/588079161.db2.gz PEASRTPHYHHJRI-UWVGGRQHSA-N 0 3 237.365 0.416 20 0 BCADHN CS(=O)(=O)CCN[C@H]1CCC[C@H](CO)C1 ZINC000843080018 588080234 /nfs/dbraw/zinc/08/02/34/588080234.db2.gz CICRXZRJVZRTTK-UWVGGRQHSA-N 0 3 235.349 0.172 20 0 BCADHN COC[C@@H](O)CNC[C@H](O)c1ccc(C)o1 ZINC000843084754 588080519 /nfs/dbraw/zinc/08/05/19/588080519.db2.gz CFRMMHGOVCONPS-UWVGGRQHSA-N 0 3 229.276 0.218 20 0 BCADHN CC[C@H](O)CNC[C@@H](O)c1ccc(C)o1 ZINC000843087681 588080597 /nfs/dbraw/zinc/08/05/97/588080597.db2.gz MHDJXVQNFQELKJ-VHSXEESVSA-N 0 3 213.277 0.982 20 0 BCADHN COC[C@H](O)CNC[C@H](O)c1cccc(C)c1 ZINC000843087132 588080675 /nfs/dbraw/zinc/08/06/75/588080675.db2.gz JBVKRXSVMAUHSH-OLZOCXBDSA-N 0 3 239.315 0.625 20 0 BCADHN C[C@H](O)CN[C@@H]1COc2ccccc2[C@@H]1O ZINC000843115843 588082326 /nfs/dbraw/zinc/08/23/26/588082326.db2.gz JXCWLYQHJCUBJP-XRNSZHNASA-N 0 3 223.272 0.451 20 0 BCADHN Nc1ccc(CN2CCNC[C@@H]2C(F)F)cn1 ZINC000843124690 588083422 /nfs/dbraw/zinc/08/34/22/588083422.db2.gz JUGJGMZCRQYLPG-SECBINFHSA-N 0 3 242.273 0.703 20 0 BCADHN Cc1cncnc1-c1noc([C@]2(F)CCNC2)n1 ZINC000843190211 588091731 /nfs/dbraw/zinc/09/17/31/588091731.db2.gz XWIOAQYRJMRUMO-NSHDSACASA-N 0 3 249.249 0.993 20 0 BCADHN F[C@]1(c2nc(-c3nc[n-]n3)no2)CC[NH2+]C1 ZINC000843209718 588092953 /nfs/dbraw/zinc/09/29/53/588092953.db2.gz PBTVLBPCBUYODG-MRVPVSSYSA-N 0 3 224.199 0.013 20 0 BCADHN O=C([C@@H]1CCCN(CCF)C1)N1CCNCC1 ZINC000843346904 588101636 /nfs/dbraw/zinc/10/16/36/588101636.db2.gz POSYGADDTDYXDM-LLVKDONJSA-N 0 3 243.326 0.100 20 0 BCADHN CCC/C(C)=C\C(=O)N1CCN(C)C[C@@H]1CN ZINC000843357832 588104015 /nfs/dbraw/zinc/10/40/15/588104015.db2.gz RLHBAIITHLYRIQ-KGTBHZDVSA-N 0 3 239.363 0.834 20 0 BCADHN CCNCC(=O)N[C@@H]1CCc2nc(C)ncc2C1 ZINC000843373455 588105151 /nfs/dbraw/zinc/10/51/51/588105151.db2.gz SHKPLTPTFBVISV-LLVKDONJSA-N 0 3 248.330 0.368 20 0 BCADHN CCc1noc(CN2CCNC[C@@H]2C(F)F)n1 ZINC000843385276 588105603 /nfs/dbraw/zinc/10/56/03/588105603.db2.gz HTEMGPXHEQQMOY-SSDOTTSWSA-N 0 3 246.261 0.671 20 0 BCADHN CCNCC(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000843404824 588106754 /nfs/dbraw/zinc/10/67/54/588106754.db2.gz MUXDZINTVLDICC-LLVKDONJSA-N 0 3 240.278 0.585 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CSC[C@@H]1C ZINC000843429982 588108736 /nfs/dbraw/zinc/10/87/36/588108736.db2.gz FKBVJVZXLLOUKU-IUCAKERBSA-N 0 3 232.349 0.737 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CCOC[C@H]1C ZINC000843431174 588108988 /nfs/dbraw/zinc/10/89/88/588108988.db2.gz XSVJUCVKSJQURK-NXEZZACHSA-N 0 3 230.308 0.411 20 0 BCADHN CCOC[C@H](C)NCC(=O)N(CC)OC ZINC000843431263 588109257 /nfs/dbraw/zinc/10/92/57/588109257.db2.gz YTABOMCHGWXNSN-VIFPVBQESA-N 0 3 218.297 0.411 20 0 BCADHN CCNCC(=O)N1CCC(OCCOC)CC1 ZINC000843437408 588110179 /nfs/dbraw/zinc/11/01/79/588110179.db2.gz WCHHWWZKYGJESN-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NC1(C(N)=O)CCCC1 ZINC000843438897 588110396 /nfs/dbraw/zinc/11/03/96/588110396.db2.gz GENAXGNWRSDECK-MRVPVSSYSA-N 0 3 239.319 0.041 20 0 BCADHN CCNCC(=O)NCC[C@@H](O)c1ccccc1 ZINC000843443842 588110818 /nfs/dbraw/zinc/11/08/18/588110818.db2.gz XVLFOYFRMPIZFH-GFCCVEGCSA-N 0 3 236.315 0.836 20 0 BCADHN CC1(NC(=O)c2ccc(N)cc2[O-])CC[NH2+]CC1 ZINC000843470790 588113380 /nfs/dbraw/zinc/11/33/80/588113380.db2.gz CSLQYCCICDSJBZ-UHFFFAOYSA-N 0 3 249.314 0.846 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cccc[n+]2[O-])[C@H]1C ZINC000843471951 588113431 /nfs/dbraw/zinc/11/34/31/588113431.db2.gz GUPUBJWNUKYCRS-UWVGGRQHSA-N 0 3 235.287 0.142 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cccc[n+]2[O-])[C@@H]1C ZINC000843471950 588113543 /nfs/dbraw/zinc/11/35/43/588113543.db2.gz GUPUBJWNUKYCRS-NXEZZACHSA-N 0 3 235.287 0.142 20 0 BCADHN CS/C=C\C(=O)N[C@@H]1CNCCC1(F)F ZINC000843482983 588114363 /nfs/dbraw/zinc/11/43/63/588114363.db2.gz FKNVWGWVEWYDKN-BIPIGHIPSA-N 0 3 236.287 0.977 20 0 BCADHN O=C(N1CCCn2nccc21)[C@@]1(F)CCNC1 ZINC000843488574 588114780 /nfs/dbraw/zinc/11/47/80/588114780.db2.gz GCMYPMKJNLKRBI-LLVKDONJSA-N 0 3 238.266 0.321 20 0 BCADHN C[C@H](NC(=O)CN)[C@@H](O)c1ccc(F)cc1 ZINC000843492743 588115761 /nfs/dbraw/zinc/11/57/61/588115761.db2.gz GANJVMLANDGUJA-WRWORJQWSA-N 0 3 226.251 0.323 20 0 BCADHN O=C(N1CCc2ccncc21)[C@@]1(F)CCNC1 ZINC000843495040 588115822 /nfs/dbraw/zinc/11/58/22/588115822.db2.gz OJSVATKNKJXFLW-GFCCVEGCSA-N 0 3 235.262 0.672 20 0 BCADHN CCc1cc(NC(=O)[C@H](N)C(C)C)nn1C ZINC000843501131 588116811 /nfs/dbraw/zinc/11/68/11/588116811.db2.gz FCEJJNCLBSMQIW-SNVBAGLBSA-N 0 3 224.308 0.904 20 0 BCADHN CCNCC(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000843505222 588117304 /nfs/dbraw/zinc/11/73/04/588117304.db2.gz SMNBNLXDOAYLOX-JTQLQIEISA-N 0 3 249.318 0.099 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1C[C@@H]1N)CC(F)F ZINC000843505104 588117409 /nfs/dbraw/zinc/11/74/09/588117409.db2.gz RMTKDDGHDPRMRR-QYNIQEEDSA-N 0 3 206.236 0.741 20 0 BCADHN CCNCC(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000843505224 588117474 /nfs/dbraw/zinc/11/74/74/588117474.db2.gz SMNBNLXDOAYLOX-SNVBAGLBSA-N 0 3 249.318 0.099 20 0 BCADHN C[C@H]1CCN(CCNC(=O)C2(F)CC2)C1 ZINC000843810745 588142285 /nfs/dbraw/zinc/14/22/85/588142285.db2.gz NGZKGZRDLOMWLO-VIFPVBQESA-N 0 3 214.284 0.947 20 0 BCADHN C/C=C\C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000844042936 588157762 /nfs/dbraw/zinc/15/77/62/588157762.db2.gz XQGZTFNYAPMAHJ-WWQCOOJYSA-N 0 3 239.319 0.141 20 0 BCADHN CCCO[N-]C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000844088650 588165914 /nfs/dbraw/zinc/16/59/14/588165914.db2.gz HNALIUSNAAYDHU-RKDXNWHRSA-N 0 3 200.282 0.784 20 0 BCADHN CCCO[N-]C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000844088650 588165915 /nfs/dbraw/zinc/16/59/15/588165915.db2.gz HNALIUSNAAYDHU-RKDXNWHRSA-N 0 3 200.282 0.784 20 0 BCADHN COC1(C(=O)NCCN2CCC[C@H]2C)CC1 ZINC000844138295 588169887 /nfs/dbraw/zinc/16/98/87/588169887.db2.gz FWMLPGBNBABNKM-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN Cc1nccn1-c1ncccc1CNC(=O)CN ZINC000844175830 588171929 /nfs/dbraw/zinc/17/19/29/588171929.db2.gz VRSOSKYXESLYFZ-UHFFFAOYSA-N 0 3 245.286 0.151 20 0 BCADHN CCNCC(=O)NCCn1ccnc1C(C)C ZINC000844174718 588172034 /nfs/dbraw/zinc/17/20/34/588172034.db2.gz SQENAXWFTAKGPC-UHFFFAOYSA-N 0 3 238.335 0.732 20 0 BCADHN CCNCC(=O)NCCc1csc(CC)n1 ZINC000844179200 588172568 /nfs/dbraw/zinc/17/25/68/588172568.db2.gz RTVJSNHXISHLFA-UHFFFAOYSA-N 0 3 241.360 0.974 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@@]2(F)CCNC2)C[C@H](C)O1 ZINC000844202392 588173816 /nfs/dbraw/zinc/17/38/16/588173816.db2.gz JIFKAWDXGJBDER-DTHBNOIPSA-N 0 3 244.310 0.760 20 0 BCADHN O=C1O[C@H](CN2CCC[C@@H](O)C2)CN1C1CC1 ZINC000844273273 588178737 /nfs/dbraw/zinc/17/87/37/588178737.db2.gz TZRWWHAPSJSCNQ-GHMZBOCLSA-N 0 3 240.303 0.426 20 0 BCADHN O=C1O[C@@H](CN2CCC(O)CC2)CN1C1CC1 ZINC000844274262 588178760 /nfs/dbraw/zinc/17/87/60/588178760.db2.gz QJVMIDRSZZFKDZ-NSHDSACASA-N 0 3 240.303 0.426 20 0 BCADHN COCCCN(C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844281559 588179972 /nfs/dbraw/zinc/17/99/72/588179972.db2.gz NHANCVABPJVQMK-LLVKDONJSA-N 0 3 242.319 0.938 20 0 BCADHN COC[C@@H](C)OC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000867351479 588180188 /nfs/dbraw/zinc/18/01/88/588180188.db2.gz CBVILPWJDUSYII-OUAUKWLOSA-N 0 3 242.319 0.794 20 0 BCADHN O=C1O[C@H](CN2CCC[C@H]2CO)CN1C1CC1 ZINC000844292742 588181520 /nfs/dbraw/zinc/18/15/20/588181520.db2.gz KXZKJDKQEVYSTR-WDEREUQCSA-N 0 3 240.303 0.426 20 0 BCADHN O=C1O[C@@H](CN2CCC[C@H]2CO)CN1C1CC1 ZINC000844292740 588181617 /nfs/dbraw/zinc/18/16/17/588181617.db2.gz KXZKJDKQEVYSTR-QWRGUYRKSA-N 0 3 240.303 0.426 20 0 BCADHN C[C@@H](O)CN(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844299960 588182138 /nfs/dbraw/zinc/18/21/38/588182138.db2.gz LABKHYZZUWHISV-SCZZXKLOSA-N 0 3 228.292 0.282 20 0 BCADHN C[C@H](O)CN(C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844299961 588182307 /nfs/dbraw/zinc/18/23/07/588182307.db2.gz LABKHYZZUWHISV-WCBMZHEXSA-N 0 3 228.292 0.282 20 0 BCADHN C[C@]1(O)CCN(C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000844301421 588182432 /nfs/dbraw/zinc/18/24/32/588182432.db2.gz VIHLUEDKNFZUCL-JQWIXIFHSA-N 0 3 240.303 0.426 20 0 BCADHN C[C@@]1(O)CCN(C[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC000844301423 588182601 /nfs/dbraw/zinc/18/26/01/588182601.db2.gz VIHLUEDKNFZUCL-ZYHUDNBSSA-N 0 3 240.303 0.426 20 0 BCADHN CN(CCCCO)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844320613 588184542 /nfs/dbraw/zinc/18/45/42/588184542.db2.gz LUAGJDHOWYMRRW-LLVKDONJSA-N 0 3 242.319 0.674 20 0 BCADHN CN(C[C@@H]1CN(C2CC2)C(=O)O1)C1(CO)CC1 ZINC000844330951 588185555 /nfs/dbraw/zinc/18/55/55/588185555.db2.gz VWLCVYFTXCZHCX-SNVBAGLBSA-N 0 3 240.303 0.426 20 0 BCADHN C[S@](=O)CCN1CCC(C2(O)CC2)CC1 ZINC000844362755 588187731 /nfs/dbraw/zinc/18/77/31/588187731.db2.gz JXKQJWSDUPVCQH-HNNXBMFYSA-N 0 3 231.361 0.602 20 0 BCADHN CN(C)CCN1CCN(C/C=C\Cl)CC1=O ZINC000844376217 588188393 /nfs/dbraw/zinc/18/83/93/588188393.db2.gz PZLKWBUNGGWPKK-ARJAWSKDSA-N 0 3 245.754 0.445 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1CCC(=O)C(C)C ZINC000844404309 588189925 /nfs/dbraw/zinc/18/99/25/588189925.db2.gz AKDWVJMAJSWIPY-GHMZBOCLSA-N 0 3 229.320 0.683 20 0 BCADHN CCOC(CN1C[C@H](O)C[C@@H]1COC)OCC ZINC000844403646 588190273 /nfs/dbraw/zinc/19/02/73/588190273.db2.gz CPQUDBYPAOACIV-GHMZBOCLSA-N 0 3 247.335 0.467 20 0 BCADHN C[C@H](CCO)N(C)C[C@@H](O)c1ccc(F)cn1 ZINC000844449053 588194933 /nfs/dbraw/zinc/19/49/33/588194933.db2.gz IGSRMJDHNCETOY-BXKDBHETSA-N 0 3 242.294 0.957 20 0 BCADHN CN1CC[C@@H](N2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000844450614 588195474 /nfs/dbraw/zinc/19/54/74/588195474.db2.gz MBGVECWPPCVXCZ-GJMOJQLCSA-N 0 3 216.231 0.414 20 0 BCADHN O=C(CCN1CCC[C@@H](O)C1)N1CCCC1 ZINC000844464911 588197317 /nfs/dbraw/zinc/19/73/17/588197317.db2.gz BQYNELFWNLKZOX-LLVKDONJSA-N 0 3 226.320 0.456 20 0 BCADHN COC/C(C)=C\C(=O)NCCN(C)C1CC1 ZINC000845285900 588225855 /nfs/dbraw/zinc/22/58/55/588225855.db2.gz NZTHVWAYQRLSHH-NTMALXAHSA-N 0 3 226.320 0.790 20 0 BCADHN C[C@@H](CN1CCCC1)OC(=O)c1cn(C)nn1 ZINC000845662001 588240053 /nfs/dbraw/zinc/24/00/53/588240053.db2.gz DJOYVEAYYGKESQ-VIFPVBQESA-N 0 3 238.291 0.456 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CO[C@@H](C)C1 ZINC000846064639 588254520 /nfs/dbraw/zinc/25/45/20/588254520.db2.gz SYICMCSPDAZMPJ-IUCAKERBSA-N 0 3 216.281 0.163 20 0 BCADHN CCOC[C@H](C)NCC(=O)N(C)OCC ZINC000846066348 588254737 /nfs/dbraw/zinc/25/47/37/588254737.db2.gz WVLLAEVMZKQCPJ-VIFPVBQESA-N 0 3 218.297 0.411 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CCSC1 ZINC000846063342 588254843 /nfs/dbraw/zinc/25/48/43/588254843.db2.gz GOTQKAVCBPYNJC-MRVPVSSYSA-N 0 3 218.322 0.491 20 0 BCADHN CCON(C)C(=O)CN[C@H](C)C1CC1 ZINC000846063743 588254861 /nfs/dbraw/zinc/25/48/61/588254861.db2.gz HBDQSSHQSQSLQH-MRVPVSSYSA-N 0 3 200.282 0.784 20 0 BCADHN CCON(C)C(=O)CN[C@@H](C)C1CC1 ZINC000846063744 588255016 /nfs/dbraw/zinc/25/50/16/588255016.db2.gz HBDQSSHQSQSLQH-QMMMGPOBSA-N 0 3 200.282 0.784 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1COC(C)(C)C1 ZINC000846062355 588255121 /nfs/dbraw/zinc/25/51/21/588255121.db2.gz FKFPVERBMKYZJO-VIFPVBQESA-N 0 3 230.308 0.553 20 0 BCADHN CCON(C)C(=O)CNC1CC(C)C1 ZINC000846064362 588255178 /nfs/dbraw/zinc/25/51/78/588255178.db2.gz LKNFZUACODTRGW-UHFFFAOYSA-N 0 3 200.282 0.784 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CC[C@H]1SC ZINC000846065618 588255274 /nfs/dbraw/zinc/25/52/74/588255274.db2.gz XXEKLYKMJDYJSY-DTWKUNHWSA-N 0 3 232.349 0.880 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CCO[C@@H](CC)C1 ZINC000846065457 588255281 /nfs/dbraw/zinc/25/52/81/588255281.db2.gz WAFWCCNPRQBZBA-QWRGUYRKSA-N 0 3 244.335 0.944 20 0 BCADHN CCON(C)C(=O)CNC[C@@H]1C[C@H]1C ZINC000846064424 588255372 /nfs/dbraw/zinc/25/53/72/588255372.db2.gz MFIQDDPUNWZHSF-BDAKNGLRSA-N 0 3 200.282 0.642 20 0 BCADHN CCN1C[C@@H](CN[C@@H](C)c2ncc[nH]2)CC1=O ZINC000846209955 588259908 /nfs/dbraw/zinc/25/99/08/588259908.db2.gz UJTWHEYWZKRBFN-VHSXEESVSA-N 0 3 236.319 0.929 20 0 BCADHN COC/C(C)=C\C(=O)NOCCN(C)C ZINC000846231552 588261970 /nfs/dbraw/zinc/26/19/70/588261970.db2.gz HXTNMYQUZRLYEW-CLFYSBASSA-N 0 3 216.281 0.189 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)[C@@H]2CCSC2)CC1 ZINC000846647285 588280583 /nfs/dbraw/zinc/28/05/83/588280583.db2.gz LKNUZWFWJZJFSF-SECBINFHSA-N 0 3 244.360 0.882 20 0 BCADHN CN1CCC[C@H]1C(=O)[N-]OC1CC[NH+](C)CC1 ZINC000846646324 588280655 /nfs/dbraw/zinc/28/06/55/588280655.db2.gz DUEJGHIEPKBPMZ-NSHDSACASA-N 0 3 241.335 0.223 20 0 BCADHN Cn1ccc(C(=O)NOC2CCN(C)CC2)c1 ZINC000846647258 588280661 /nfs/dbraw/zinc/28/06/61/588280661.db2.gz KVFLBGMSQXQNRW-UHFFFAOYSA-N 0 3 237.303 0.781 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC2(CC2(F)F)CC1 ZINC000846690216 588283178 /nfs/dbraw/zinc/28/31/78/588283178.db2.gz GIDLXCCHDUJCTG-JGVFFNPUSA-N 0 3 230.258 0.981 20 0 BCADHN CCNCC(=O)Nc1cc(COC)ccn1 ZINC000846700370 588283358 /nfs/dbraw/zinc/28/33/58/588283358.db2.gz BOKKLKSHKYQLNM-UHFFFAOYSA-N 0 3 223.276 0.776 20 0 BCADHN O=C(N1CCC(CCO)CC1)[C@@]1(F)CCNC1 ZINC000846695828 588283457 /nfs/dbraw/zinc/28/34/57/588283457.db2.gz GXRSKNQEFQHLKK-GFCCVEGCSA-N 0 3 244.310 0.309 20 0 BCADHN O=C(N1C[C@H]2[C@@H](C1)C2(F)F)[C@]1(F)CCNC1 ZINC000846700250 588283545 /nfs/dbraw/zinc/28/35/45/588283545.db2.gz VJYGYUWEUCRXPE-OOZYFLPDSA-N 0 3 234.221 0.412 20 0 BCADHN CCN(C(=O)[C@]1(F)CCNC1)[C@H]1CCCOC1 ZINC000846697326 588283563 /nfs/dbraw/zinc/28/35/63/588283563.db2.gz NUCKXAXQIUCHLF-JQWIXIFHSA-N 0 3 244.310 0.716 20 0 BCADHN C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(N)cc1[O-] ZINC000846741781 588284129 /nfs/dbraw/zinc/28/41/29/588284129.db2.gz DOCVGPOBXLQUJB-WPRPVWTQSA-N 0 3 249.314 0.926 20 0 BCADHN C[C@@H]1CCOCCN1CCCC(=O)N(C)C ZINC000846845966 588293205 /nfs/dbraw/zinc/29/32/05/588293205.db2.gz AFEBTEQVYQXQJA-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCN1C[C@H](CN(C)C2CC(O)C2)OC1=O ZINC000846858855 588293815 /nfs/dbraw/zinc/29/38/15/588293815.db2.gz IDXUPACRCPDJRD-RTBKNWGFSA-N 0 3 228.292 0.282 20 0 BCADHN CCN1C[C@@H](CN(C)CC2(CO)CC2)OC1=O ZINC000846866998 588294180 /nfs/dbraw/zinc/29/41/80/588294180.db2.gz KEHMSJKWMRKNDN-SNVBAGLBSA-N 0 3 242.319 0.531 20 0 BCADHN CCN1C[C@H](CN(C)C[C@H](C)OC)OC1=O ZINC000846901736 588296250 /nfs/dbraw/zinc/29/62/50/588296250.db2.gz ABZSGHXCORIXDH-UWVGGRQHSA-N 0 3 230.308 0.794 20 0 BCADHN CN1C[C@@H]2CCN(Cc3cnsn3)[C@@H]2C1 ZINC000846919800 588296712 /nfs/dbraw/zinc/29/67/12/588296712.db2.gz RUOBWEPOYNHWMC-WCBMZHEXSA-N 0 3 224.333 0.674 20 0 BCADHN CN1C[C@H]2CCN(Cc3cnsn3)[C@@H]2C1 ZINC000846919794 588296948 /nfs/dbraw/zinc/29/69/48/588296948.db2.gz RUOBWEPOYNHWMC-PSASIEDQSA-N 0 3 224.333 0.674 20 0 BCADHN CON1CCN(C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000846972293 588298297 /nfs/dbraw/zinc/29/82/97/588298297.db2.gz QPZHHSGTBCESNK-NWDGAFQWSA-N 0 3 228.336 0.981 20 0 BCADHN CCN1C[C@@H](CN[C@@H]2CCC[C@H]2OC)OC1=O ZINC000846960336 588298715 /nfs/dbraw/zinc/29/87/15/588298715.db2.gz SBQRGYZLWBHJSA-GMTAPVOTSA-N 0 3 242.319 0.984 20 0 BCADHN CCOC(CN(CC)CCC(=O)NC)OCC ZINC000846970194 588299140 /nfs/dbraw/zinc/29/91/40/588299140.db2.gz KSZMJRBSFPLANV-UHFFFAOYSA-N 0 3 246.351 0.844 20 0 BCADHN CON1CCN(C[C@H]2CCO[C@H](C)C2)CC1 ZINC000846972291 588299332 /nfs/dbraw/zinc/29/93/32/588299332.db2.gz QPZHHSGTBCESNK-NEPJUHHUSA-N 0 3 228.336 0.981 20 0 BCADHN CCN1C[C@@H](CN2CC[C@@H](O)[C@H]2C)OC1=O ZINC000846977795 588299970 /nfs/dbraw/zinc/29/99/70/588299970.db2.gz ZVCYDQQLSSRNMW-KXUCPTDWSA-N 0 3 228.292 0.282 20 0 BCADHN CC[C@H](NCC(=O)N(C)OC)[C@@H]1CCCCO1 ZINC000847075215 588306019 /nfs/dbraw/zinc/30/60/19/588306019.db2.gz BFCLBZVVPDNIHT-QWRGUYRKSA-N 0 3 244.335 0.944 20 0 BCADHN CC[C@H](NCCS(C)(=O)=O)[C@@H]1CCCCO1 ZINC000847090151 588306145 /nfs/dbraw/zinc/30/61/45/588306145.db2.gz OKRDBCJGBPCJOL-QWRGUYRKSA-N 0 3 249.376 0.968 20 0 BCADHN CC[C@H](NCCS(C)(=O)=O)[C@H]1CCCCO1 ZINC000847090153 588306172 /nfs/dbraw/zinc/30/61/72/588306172.db2.gz OKRDBCJGBPCJOL-WDEREUQCSA-N 0 3 249.376 0.968 20 0 BCADHN CCO/C=C/C(=O)NCCN1CCCC1 ZINC000847300971 588310730 /nfs/dbraw/zinc/31/07/30/588310730.db2.gz OPWIYIKQLRJPRV-BJMVGYQFSA-N 0 3 212.293 0.749 20 0 BCADHN COCCN1CCC(OC(=O)[C@@H](C)OC)CC1 ZINC000847882706 588342272 /nfs/dbraw/zinc/34/22/72/588342272.db2.gz UNOYCVNPPPDEDQ-SNVBAGLBSA-N 0 3 245.319 0.675 20 0 BCADHN CS(=O)(=O)NCCN1CCCCCCC1 ZINC000107297434 588346364 /nfs/dbraw/zinc/34/63/64/588346364.db2.gz UXPDQVYGRJESTF-UHFFFAOYSA-N 0 3 234.365 0.802 20 0 BCADHN CC[C@H](C(=O)N[C@H]1C[C@H](C)OC1=O)N(C)C ZINC000848077634 588355074 /nfs/dbraw/zinc/35/50/74/588355074.db2.gz MXOYIOJRNQHYFM-XHNCKOQMSA-N 0 3 228.292 0.147 20 0 BCADHN COCOCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC000848169762 588364180 /nfs/dbraw/zinc/36/41/80/588364180.db2.gz YYRJWOYYNXJMAO-LLVKDONJSA-N 0 3 246.351 0.699 20 0 BCADHN CN[C@@H](C)C(=O)Nn1cnc2ccccc21 ZINC000848395755 588377048 /nfs/dbraw/zinc/37/70/48/588377048.db2.gz GGJADLNJBGATHP-QMMMGPOBSA-N 0 3 218.260 0.714 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@H](C)NC ZINC000848398003 588377671 /nfs/dbraw/zinc/37/76/71/588377671.db2.gz BIGPSXDDMCLNIY-QMMMGPOBSA-N 0 3 216.281 0.054 20 0 BCADHN CS/C=C\C(=O)N[C@@H](CN)C(F)(F)F ZINC000848438353 588384931 /nfs/dbraw/zinc/38/49/31/588384931.db2.gz IWVZMHSEXIHMCL-KQLGLEPJSA-N 0 3 228.239 0.869 20 0 BCADHN COC[C@H](CC(C)(C)C)NC(=O)[C@@H]1C[C@@H]1N ZINC000848434392 588384803 /nfs/dbraw/zinc/38/48/03/588384803.db2.gz JMNQEMOBBSRJIJ-AEJSXWLSSA-N 0 3 228.336 0.901 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc(C)ccc1C(N)=O ZINC000848442752 588385363 /nfs/dbraw/zinc/38/53/63/588385363.db2.gz JGMWSCWVLQYJDJ-QMMMGPOBSA-N 0 3 235.287 0.640 20 0 BCADHN O=C(OCC1CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848486508 588387342 /nfs/dbraw/zinc/38/73/42/588387342.db2.gz HUQPZEFFUNRLHJ-WDEREUQCSA-N 0 3 240.303 0.284 20 0 BCADHN COC[C@H](O)CCNCc1cnc(Cl)n1C ZINC000848544511 588393011 /nfs/dbraw/zinc/39/30/11/588393011.db2.gz MSWQIJQKSRPJQP-SECBINFHSA-N 0 3 247.726 0.561 20 0 BCADHN Cn1c(Cl)ncc1CNCC(C)(C)O ZINC000848537015 588394547 /nfs/dbraw/zinc/39/45/47/588394547.db2.gz ZYAOXVSRJXPSIO-UHFFFAOYSA-N 0 3 217.700 0.934 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cnc(Cl)n1C ZINC000848543701 588394982 /nfs/dbraw/zinc/39/49/82/588394982.db2.gz VZTVPZVZZZCFSP-LURJTMIESA-N 0 3 230.699 0.427 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1cncnc1C ZINC000848548554 588395603 /nfs/dbraw/zinc/39/56/03/588395603.db2.gz HWJIKWBRAXCQQE-WPRPVWTQSA-N 0 3 225.292 0.443 20 0 BCADHN O=C1CN(CCCNCc2ccoc2)CCN1 ZINC000848557384 588397305 /nfs/dbraw/zinc/39/73/05/588397305.db2.gz JAGUPDHGIAPDBE-UHFFFAOYSA-N 0 3 237.303 0.191 20 0 BCADHN O=C1O[C@H](CN[C@H]2CCOC2)CN1C1CC1 ZINC000848570728 588399218 /nfs/dbraw/zinc/39/92/18/588399218.db2.gz MQLVSPKAKWKNLJ-WCBMZHEXSA-N 0 3 226.276 0.348 20 0 BCADHN CCONC(=O)N[C@H](CN)C(F)(F)F ZINC000848597543 588401620 /nfs/dbraw/zinc/40/16/20/588401620.db2.gz PFMASTMNSURVNR-SCSAIBSYSA-N 0 3 215.175 0.127 20 0 BCADHN CCCNC(=S)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848650214 588403462 /nfs/dbraw/zinc/40/34/62/588403462.db2.gz LZDLNPAOSLMDAN-VHSXEESVSA-N 0 3 243.376 0.022 20 0 BCADHN COCC1(CNC(=S)NCCN(C)C)CC1 ZINC000848649178 588403830 /nfs/dbraw/zinc/40/38/30/588403830.db2.gz CVYUKQUNODNEDS-UHFFFAOYSA-N 0 3 245.392 0.439 20 0 BCADHN COC(=O)/C=C/c1ccc(CNCCCO)o1 ZINC000848889683 588417673 /nfs/dbraw/zinc/41/76/73/588417673.db2.gz AGZVJKQTYZZXDR-AATRIKPKSA-N 0 3 239.271 0.938 20 0 BCADHN CCNC(=[NH2+])NCc1nnc(-c2ccncc2)[n-]1 ZINC000849043300 588448655 /nfs/dbraw/zinc/44/86/55/588448655.db2.gz RDQHZXIPVXYTRH-UHFFFAOYSA-N 0 3 245.290 0.501 20 0 BCADHN CCOC(=O)c1cn(CCN(C)C)nn1 ZINC000849136526 588453800 /nfs/dbraw/zinc/45/38/00/588453800.db2.gz HWDLIWBASHIFAM-UHFFFAOYSA-N 0 3 212.253 0.016 20 0 BCADHN CN(C)CCn1cc(-c2cnn(C)c2)nn1 ZINC000849136553 588454030 /nfs/dbraw/zinc/45/40/30/588454030.db2.gz JEPHTUMRPAUJRZ-UHFFFAOYSA-N 0 3 220.280 0.240 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2cccc[n+]2[O-])C1 ZINC000108326105 588460598 /nfs/dbraw/zinc/46/05/98/588460598.db2.gz WFCGJZYIWFSEEJ-NSHDSACASA-N 0 3 249.314 0.392 20 0 BCADHN CO[C@H](C)CC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108341662 588461035 /nfs/dbraw/zinc/46/10/35/588461035.db2.gz LJTKZRMUWCEELM-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN CN1CCC[C@H](CNC(=O)C2=COCCO2)C1 ZINC000108344227 588461131 /nfs/dbraw/zinc/46/11/31/588461131.db2.gz GMQILZHVMGLMDR-SNVBAGLBSA-N 0 3 240.303 0.333 20 0 BCADHN CN1CCC(NC(=S)NC/C=C/CO)CC1 ZINC000849279154 588468869 /nfs/dbraw/zinc/46/88/69/588468869.db2.gz KOYOCYSRPXVKKP-NSCUHMNNSA-N 0 3 243.376 0.093 20 0 BCADHN CN1CCC(N2C(=O)N3CC4CC3(C4)C2=O)CC1 ZINC000849352079 588474907 /nfs/dbraw/zinc/47/49/07/588474907.db2.gz HIULEULHMXHVCD-UHFFFAOYSA-N 0 3 249.314 0.507 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1CC1CC=CC1 ZINC000849896467 588508821 /nfs/dbraw/zinc/50/88/21/588508821.db2.gz XPZSZCAUYGXHJR-QMMMGPOBSA-N 0 3 244.316 0.360 20 0 BCADHN C[S@](=O)CCNCc1cnn2c1CCC2 ZINC000850140047 588521663 /nfs/dbraw/zinc/52/16/63/588521663.db2.gz ZNYRKSMTJXNNKP-HNNXBMFYSA-N 0 3 227.333 0.297 20 0 BCADHN CC[C@@H]1C[C@H](NC[C@H](O)c2cnn(C)c2)CO1 ZINC000850160676 588522242 /nfs/dbraw/zinc/52/22/42/588522242.db2.gz XRBIVDSOEACIRS-TUAOUCFPSA-N 0 3 239.319 0.611 20 0 BCADHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1cncn1C ZINC000850303042 588535479 /nfs/dbraw/zinc/53/54/79/588535479.db2.gz QLOPHPOSYGPHOF-DVVUODLYSA-N 0 3 237.303 0.707 20 0 BCADHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NCc1cncn1C ZINC000850303044 588535612 /nfs/dbraw/zinc/53/56/12/588535612.db2.gz QLOPHPOSYGPHOF-INTQDDNPSA-N 0 3 237.303 0.707 20 0 BCADHN CC[C@H]1C[C@@H](NCCS(=O)(=O)C2CC2)CO1 ZINC000850326496 588536968 /nfs/dbraw/zinc/53/69/68/588536968.db2.gz OPYDSEYINIBGEI-ZJUUUORDSA-N 0 3 247.360 0.721 20 0 BCADHN CCc1cc(CN[C@@H](C)Cn2cncn2)n[nH]1 ZINC000850435083 588545805 /nfs/dbraw/zinc/54/58/05/588545805.db2.gz HPTSTIAJUSMOHT-VIFPVBQESA-N 0 3 234.307 0.742 20 0 BCADHN CCc1cc(CN[C@@H](C)Cn2cncn2)[nH]n1 ZINC000850435083 588545806 /nfs/dbraw/zinc/54/58/06/588545806.db2.gz HPTSTIAJUSMOHT-VIFPVBQESA-N 0 3 234.307 0.742 20 0 BCADHN CC[S@@](=O)CCN[C@@H](C)Cn1cncn1 ZINC000850434784 588546044 /nfs/dbraw/zinc/54/60/44/588546044.db2.gz XQVUIHDHBKFNLM-BJOHPYRUSA-N 0 3 230.337 0.025 20 0 BCADHN Cn1cc([C@H](O)CN[C@@H]2COC(C)(C)C2)cn1 ZINC000850437354 588546464 /nfs/dbraw/zinc/54/64/64/588546464.db2.gz LQZZWOBNRPFYLA-WDEREUQCSA-N 0 3 239.319 0.611 20 0 BCADHN CON(C)CCN[C@@H](C)c1cc(C)nn1C ZINC000850478060 588549541 /nfs/dbraw/zinc/54/95/41/588549541.db2.gz NAVWVVHQJWZPMG-JTQLQIEISA-N 0 3 226.324 0.872 20 0 BCADHN CON(C)CCN[C@H]1CCCn2nccc21 ZINC000850478140 588549635 /nfs/dbraw/zinc/54/96/35/588549635.db2.gz ORAXSTDNKGMALH-JTQLQIEISA-N 0 3 224.308 0.801 20 0 BCADHN CON(C)CCN[C@H](C)c1cn(C)nc1C ZINC000850479919 588551148 /nfs/dbraw/zinc/55/11/48/588551148.db2.gz GAGZXFFRMGQLFP-SECBINFHSA-N 0 3 226.324 0.872 20 0 BCADHN O[C@H]1C[C@H](N[C@H]2CCCc3n[nH]cc32)C1 ZINC000850577586 588561196 /nfs/dbraw/zinc/56/11/96/588561196.db2.gz APHRNXFSAWGMBA-NRPADANISA-N 0 3 207.277 0.900 20 0 BCADHN Cc1ncc(COC(=O)C2CCN(C)C2=O)o1 ZINC000851446174 588604706 /nfs/dbraw/zinc/60/47/06/588604706.db2.gz BLFAVZARXPWKFA-SECBINFHSA-N 0 3 238.243 0.505 20 0 BCADHN Cc1ncc(COC(=O)C2CCN(C)C2=O)o1 ZINC000851446175 588604843 /nfs/dbraw/zinc/60/48/43/588604843.db2.gz BLFAVZARXPWKFA-VIFPVBQESA-N 0 3 238.243 0.505 20 0 BCADHN Cc1ccncc1CCNC(=O)[C@@H]1C[C@@H]1N ZINC000851641314 588612578 /nfs/dbraw/zinc/61/25/78/588612578.db2.gz KBHLUPQXSNJCEZ-MNOVXSKESA-N 0 3 219.288 0.396 20 0 BCADHN COCc1csc(CNC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000851644411 588612723 /nfs/dbraw/zinc/61/27/23/588612723.db2.gz QDBIXCUGXKCPML-ZJUUUORDSA-N 0 3 240.328 0.858 20 0 BCADHN C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2N)O1 ZINC000851644797 588612846 /nfs/dbraw/zinc/61/28/46/588612846.db2.gz XJVKFQJIOGGOHV-RGOKHQFPSA-N 0 3 212.293 0.407 20 0 BCADHN CCNCC(=O)NCc1c(C2CC2)cnn1C ZINC000851644705 588612936 /nfs/dbraw/zinc/61/29/36/588612936.db2.gz VBEUJJGNDGFVEP-UHFFFAOYSA-N 0 3 236.319 0.523 20 0 BCADHN CCNCC(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000851645104 588612989 /nfs/dbraw/zinc/61/29/89/588612989.db2.gz GBPZWHXTOYZVMN-ONGXEEELSA-N 0 3 212.293 0.091 20 0 BCADHN CCSC1(CNC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000851647862 588613027 /nfs/dbraw/zinc/61/30/27/588613027.db2.gz OOTQWXXGIQHABP-SFYZADRCSA-N 0 3 214.334 0.736 20 0 BCADHN CO[C@H](CNC(=O)[C@@H]1C[C@@H]1N)C1CCCC1 ZINC000851647853 588613271 /nfs/dbraw/zinc/61/32/71/588613271.db2.gz NUZGXLXCSDZHGD-OUAUKWLOSA-N 0 3 226.320 0.655 20 0 BCADHN CCOCCONC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851658443 588613430 /nfs/dbraw/zinc/61/34/30/588613430.db2.gz CHVSUZBCLFYZER-RKDXNWHRSA-N 0 3 249.286 0.035 20 0 BCADHN O=C(N[C@H]1C=CCC1)N1CCCNCC1 ZINC000851670730 588614371 /nfs/dbraw/zinc/61/43/71/588614371.db2.gz YJRWTFWYPPTDEB-JTQLQIEISA-N 0 3 209.293 0.710 20 0 BCADHN CC1(C)OC[C@H](CN2CCC[C@@H](O)C2)O1 ZINC000851718044 588616371 /nfs/dbraw/zinc/61/63/71/588616371.db2.gz CGVDUZHTZBPOPV-ZJUUUORDSA-N 0 3 215.293 0.595 20 0 BCADHN OC[C@@H]1CCCN(C[C@@H](O)c2ccccn2)C1 ZINC000851720693 588617225 /nfs/dbraw/zinc/61/72/25/588617225.db2.gz QIKUJGDDINRMKE-DGCLKSJQSA-N 0 3 236.315 0.819 20 0 BCADHN CN1CCCN(C[C@H]2COC(C)(C)O2)CC1 ZINC000851720917 588617310 /nfs/dbraw/zinc/61/73/10/588617310.db2.gz VXCAEEINNSWEHN-NSHDSACASA-N 0 3 228.336 0.775 20 0 BCADHN CNC(=O)CN(C)[C@@H]1CC[C@@H](OC)C1 ZINC000851725816 588618007 /nfs/dbraw/zinc/61/80/07/588618007.db2.gz IOGNUXVFNSHJAD-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN CC1(C)OC[C@@H](CN2CCCC[C@@H]2CO)O1 ZINC000851729858 588619125 /nfs/dbraw/zinc/61/91/25/588619125.db2.gz QRDIEQDQKNVENG-GHMZBOCLSA-N 0 3 229.320 0.985 20 0 BCADHN OC[C@@H]1CCCCN1C[C@@H](O)c1ccccn1 ZINC000851730086 588619170 /nfs/dbraw/zinc/61/91/70/588619170.db2.gz UMVHIWPWJLKQAA-WCQYABFASA-N 0 3 236.315 0.962 20 0 BCADHN OCCN(C[C@H](O)c1ccccn1)CC1CC1 ZINC000851734148 588619893 /nfs/dbraw/zinc/61/98/93/588619893.db2.gz BMVAJVNHFKQAKS-ZDUSSCGKSA-N 0 3 236.315 0.819 20 0 BCADHN CCCN(C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851740495 588621453 /nfs/dbraw/zinc/62/14/53/588621453.db2.gz YFBQQVSQSOQDEM-ZDUSSCGKSA-N 0 3 236.315 0.701 20 0 BCADHN CCCN(C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851740493 588621564 /nfs/dbraw/zinc/62/15/64/588621564.db2.gz YFBQQVSQSOQDEM-CYBMUJFWSA-N 0 3 236.315 0.701 20 0 BCADHN CO[C@H]1CC[C@@H](N2CCCNC(=O)C2)C1 ZINC000851747151 588622328 /nfs/dbraw/zinc/62/23/28/588622328.db2.gz QQFKZNLVQHZMJQ-ZJUUUORDSA-N 0 3 212.293 0.376 20 0 BCADHN O=C1CC[C@H](CN2CCC(CCO)CC2)O1 ZINC000851760474 588624285 /nfs/dbraw/zinc/62/42/85/588624285.db2.gz KVNVLHTXVHPMAP-LLVKDONJSA-N 0 3 227.304 0.786 20 0 BCADHN C[C@@H](Cn1cccn1)NC[C@@H](O)c1ccccn1 ZINC000851760905 588624372 /nfs/dbraw/zinc/62/43/72/588624372.db2.gz MTEHGQHEIBVZLI-WCQYABFASA-N 0 3 246.314 0.990 20 0 BCADHN CN(CCn1cccn1)C[C@@H]1CCC(=O)O1 ZINC000851769043 588625662 /nfs/dbraw/zinc/62/56/62/588625662.db2.gz JQXRJEKQTDRHCW-JTQLQIEISA-N 0 3 223.276 0.521 20 0 BCADHN CN(C[C@H]1CCC(=O)O1)[C@H]1CCN(C2CC2)C1 ZINC000851769355 588625684 /nfs/dbraw/zinc/62/56/84/588625684.db2.gz RYKDXRJEUBZADL-NWDGAFQWSA-N 0 3 238.331 0.861 20 0 BCADHN C[C@@H](O)CCN(C)C[C@@H]1COC(C)(C)O1 ZINC000851786094 588625719 /nfs/dbraw/zinc/62/57/19/588625719.db2.gz XHTMCRWUKSSGCZ-NXEZZACHSA-N 0 3 217.309 0.841 20 0 BCADHN CC1(C)OC[C@H](CN(CCCO)C2CC2)O1 ZINC000851776576 588626376 /nfs/dbraw/zinc/62/63/76/588626376.db2.gz UQNOMZMDETTYFH-NSHDSACASA-N 0 3 229.320 0.985 20 0 BCADHN OCCCN(C[C@H](O)c1ccccn1)C1CC1 ZINC000851775958 588626448 /nfs/dbraw/zinc/62/64/48/588626448.db2.gz BLRYXDJWHAQFHV-ZDUSSCGKSA-N 0 3 236.315 0.962 20 0 BCADHN O=C1CC[C@H](CN(CCCCO)C2CC2)O1 ZINC000851781893 588627780 /nfs/dbraw/zinc/62/77/80/588627780.db2.gz HTMKEEZYKGOEBR-LLVKDONJSA-N 0 3 227.304 0.929 20 0 BCADHN C[C@H](O)CN(C)C[C@@H](O)c1ccccn1 ZINC000851784481 588628324 /nfs/dbraw/zinc/62/83/24/588628324.db2.gz UOFZINZFITXNAU-GXSJLCMTSA-N 0 3 210.277 0.428 20 0 BCADHN CN(C[C@@H](O)c1ccccn1)C[C@@H](O)C1CC1 ZINC000851802614 588630781 /nfs/dbraw/zinc/63/07/81/588630781.db2.gz KSLZLIGHXWNXLU-CHWSQXEVSA-N 0 3 236.315 0.818 20 0 BCADHN CC1(O)CCN(C[C@@H](O)c2ccccn2)CC1 ZINC000851809540 588632096 /nfs/dbraw/zinc/63/20/96/588632096.db2.gz RRQFZMWDVBEBPJ-GFCCVEGCSA-N 0 3 236.315 0.962 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCN3C(=O)OC[C@@H]3C2)C1 ZINC000851814335 588633129 /nfs/dbraw/zinc/63/31/29/588633129.db2.gz ZPCFRNWCCJSYPL-GARJFASQSA-N 0 3 240.303 0.690 20 0 BCADHN CNC(=O)CCCN(C)C[C@@H]1COC(C)(C)O1 ZINC000851865598 588636092 /nfs/dbraw/zinc/63/60/92/588636092.db2.gz CURLZPDZBUCWBN-SNVBAGLBSA-N 0 3 244.335 0.596 20 0 BCADHN CC(=O)OC1CCN(C[C@@H]2CCC(=O)O2)CC1 ZINC000851864900 588636315 /nfs/dbraw/zinc/63/63/15/588636315.db2.gz NDSUMRSOGOBNNX-NSHDSACASA-N 0 3 241.287 0.720 20 0 BCADHN C[C@H](CO)N(C)C[C@@H]1COC(C)(C)O1 ZINC000851866220 588636942 /nfs/dbraw/zinc/63/69/42/588636942.db2.gz KABZBIWGNFUCLS-RKDXNWHRSA-N 0 3 203.282 0.451 20 0 BCADHN CC[C@@H]1CN(CCOC(F)F)C[C@H]1O ZINC000851880952 588639274 /nfs/dbraw/zinc/63/92/74/588639274.db2.gz VGDOVXMWQQXSNM-HTQZYQBOSA-N 0 3 209.236 0.928 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C[C@H]1COC(C)(C)O1 ZINC000851882140 588639419 /nfs/dbraw/zinc/63/94/19/588639419.db2.gz SWTUURXEJKIVRV-UTLUCORTSA-N 0 3 215.293 0.593 20 0 BCADHN COC[C@@H](CN1CCOCC[C@@H]1C)OC ZINC000851907676 588639629 /nfs/dbraw/zinc/63/96/29/588639629.db2.gz VFPXXDAAIQOETI-WDEREUQCSA-N 0 3 217.309 0.759 20 0 BCADHN CC[C@@H]1CN(C[C@H](O)c2ccccn2)C[C@H]1O ZINC000851881017 588639738 /nfs/dbraw/zinc/63/97/38/588639738.db2.gz VUAQODNKQIZEOR-RTXFEEFZSA-N 0 3 236.315 0.818 20 0 BCADHN CCN1C[C@H](C)N(Cc2cnon2)C[C@@H]1C ZINC000851883726 588640072 /nfs/dbraw/zinc/64/00/72/588640072.db2.gz IXEFOMHKINPLQG-UWVGGRQHSA-N 0 3 224.308 0.984 20 0 BCADHN CCn1ncc(CN[C@@H](C)[C@H]2CCOC2)n1 ZINC000851932230 588645108 /nfs/dbraw/zinc/64/51/08/588645108.db2.gz DAMAIHVYOHEIOX-UWVGGRQHSA-N 0 3 224.308 0.813 20 0 BCADHN CCN1CC[C@H](N[C@@H](CCO)C2CC2)C1=O ZINC000851933699 588645532 /nfs/dbraw/zinc/64/55/32/588645532.db2.gz UDDOUQCAKHDWEU-QWRGUYRKSA-N 0 3 226.320 0.358 20 0 BCADHN Cc1cc(CN[C@@H](CO)C2CC2)n(C)n1 ZINC000851933261 588645538 /nfs/dbraw/zinc/64/55/38/588645538.db2.gz PMIAFKPTUUZXOQ-NSHDSACASA-N 0 3 209.293 0.589 20 0 BCADHN CO[C@H]1CC[C@@H](N2CCN(C[C@H](C)O)CC2)C1 ZINC000851954490 588647333 /nfs/dbraw/zinc/64/73/33/588647333.db2.gz LAZAZBLDBGKNNM-XQQFMLRXSA-N 0 3 242.363 0.552 20 0 BCADHN CO[C@H]1CC[C@H](N2CCN(C[C@H](C)O)CC2)C1 ZINC000851954488 588647602 /nfs/dbraw/zinc/64/76/02/588647602.db2.gz LAZAZBLDBGKNNM-AVGNSLFASA-N 0 3 242.363 0.552 20 0 BCADHN C[C@H]1CN(CCOC(F)F)CC[C@@H]1O ZINC000851958122 588648021 /nfs/dbraw/zinc/64/80/21/588648021.db2.gz XKWYWVHOQSSFAJ-YUMQZZPRSA-N 0 3 209.236 0.928 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCN(CCO)[C@@H](C)C2)C1 ZINC000851957786 588648167 /nfs/dbraw/zinc/64/81/67/588648167.db2.gz SPCSJNLNHHMQJB-RWMBFGLXSA-N 0 3 242.363 0.552 20 0 BCADHN O=C1CC[C@H](CN(CCO)C2CCC2)O1 ZINC000851970182 588649433 /nfs/dbraw/zinc/64/94/33/588649433.db2.gz BUIGRCVXWXMZHV-SNVBAGLBSA-N 0 3 213.277 0.539 20 0 BCADHN C[C@@H]1CCN(C[C@@H](O)c2ccccn2)[C@@H]1CO ZINC000851971521 588649768 /nfs/dbraw/zinc/64/97/68/588649768.db2.gz INSYDRINCLBPDQ-RAIGVLPGSA-N 0 3 236.315 0.818 20 0 BCADHN CCOCCOCCN(C)C[C@H]1CCC(=O)O1 ZINC000851975551 588650542 /nfs/dbraw/zinc/65/05/42/588650542.db2.gz RYSOISYKSWJJSU-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN C[C@H](NCCc1c[nH]nn1)c1nnnn1C1CC1 ZINC000851981034 588650818 /nfs/dbraw/zinc/65/08/18/588650818.db2.gz OPYNIAVYBQEKFS-ZETCQYMHSA-N 0 3 248.294 0.019 20 0 BCADHN O=C1CC[C@@H](CN2CCc3cc[nH]c(=O)c3C2)O1 ZINC000851983892 588651235 /nfs/dbraw/zinc/65/12/35/588651235.db2.gz FCPCKPWSKWMKMA-JTQLQIEISA-N 0 3 248.282 0.851 20 0 BCADHN COCCN(CCC(OC)OC)[C@@H]1CCOC1 ZINC000851993194 588653046 /nfs/dbraw/zinc/65/30/46/588653046.db2.gz HJTXCVOXZWAUGB-LLVKDONJSA-N 0 3 247.335 0.733 20 0 BCADHN CC1(C)CN(C[C@H](O)c2ccccn2)C[C@@H]1O ZINC000851998586 588654014 /nfs/dbraw/zinc/65/40/14/588654014.db2.gz VPONAZNSLNIRRM-RYUDHWBXSA-N 0 3 236.315 0.818 20 0 BCADHN C[C@]1(C(N)=O)CCN(CCOC(F)F)C1 ZINC000852002594 588654181 /nfs/dbraw/zinc/65/41/81/588654181.db2.gz DJKBDMLBCNVBLR-VIFPVBQESA-N 0 3 222.235 0.423 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@@H](O)c1ccccn1 ZINC000852012729 588655502 /nfs/dbraw/zinc/65/55/02/588655502.db2.gz NUQIGZLVOZCXGG-YUSALJHKSA-N 0 3 249.314 0.229 20 0 BCADHN CCN(CCOCCO)C[C@@H]1CCC(=O)O1 ZINC000852015961 588655515 /nfs/dbraw/zinc/65/55/15/588655515.db2.gz QZGWYUHXUCAJSS-JTQLQIEISA-N 0 3 231.292 0.023 20 0 BCADHN COCCOCCN(C)C[C@H]1CCC(=O)O1 ZINC000852053863 588656612 /nfs/dbraw/zinc/65/66/12/588656612.db2.gz JDGIWVPFKIIWHT-SNVBAGLBSA-N 0 3 231.292 0.287 20 0 BCADHN CN(C[C@H]1COC(C)(C)O1)C1(CO)CC1 ZINC000852043816 588657619 /nfs/dbraw/zinc/65/76/19/588657619.db2.gz KAGCJCTWVMJLQN-VIFPVBQESA-N 0 3 215.293 0.595 20 0 BCADHN COCCN(C)CCNC(=O)N[C@@H]1C=CCC1 ZINC000852063590 588658737 /nfs/dbraw/zinc/65/87/37/588658737.db2.gz RONWWXAQXMBBRZ-LLVKDONJSA-N 0 3 241.335 0.582 20 0 BCADHN CC1(C)[C@H](O)CCN1C[C@@H](O)c1ccccn1 ZINC000852069497 588659069 /nfs/dbraw/zinc/65/90/69/588659069.db2.gz FBUCUICJZQTLMF-VXGBXAGGSA-N 0 3 236.315 0.960 20 0 BCADHN O=C1CC[C@H](CN2CC[C@H](n3cccn3)C2)O1 ZINC000852070258 588659192 /nfs/dbraw/zinc/65/91/92/588659192.db2.gz QXRWZUIIPOOUBW-WDEREUQCSA-N 0 3 235.287 0.836 20 0 BCADHN CN(C[C@@H]1COC(C)(C)O1)C1(CO)CCC1 ZINC000852075661 588659660 /nfs/dbraw/zinc/65/96/60/588659660.db2.gz CPDSZGSYGCQMRE-SNVBAGLBSA-N 0 3 229.320 0.985 20 0 BCADHN CN1C[C@H]2CCN(Cc3cnon3)[C@H]2C1 ZINC000852076664 588659940 /nfs/dbraw/zinc/65/99/40/588659940.db2.gz VIIVUFWOFKUJBT-SCZZXKLOSA-N 0 3 208.265 0.206 20 0 BCADHN CN(CCOC(F)F)[C@H]1CCC(=O)N(C)C1 ZINC000852086682 588660931 /nfs/dbraw/zinc/66/09/31/588660931.db2.gz UHNQRGBYKUDFRS-QMMMGPOBSA-N 0 3 236.262 0.778 20 0 BCADHN CC[C@@H](CO)N(C)C[C@@H]1COC(C)(C)O1 ZINC000852096333 588661699 /nfs/dbraw/zinc/66/16/99/588661699.db2.gz AKTDQCNCCPUJON-VHSXEESVSA-N 0 3 217.309 0.841 20 0 BCADHN CN(C[C@@H]1CCC(=O)O1)CC(C)(C)CO ZINC000852111865 588664540 /nfs/dbraw/zinc/66/45/40/588664540.db2.gz FUVMIXZGPWCMJN-VIFPVBQESA-N 0 3 215.293 0.642 20 0 BCADHN Cc1nccn1CCN1CC[C@@](O)(C(F)F)C1 ZINC000852121365 588664988 /nfs/dbraw/zinc/66/49/88/588664988.db2.gz PDVKUUWWHHDXDM-NSHDSACASA-N 0 3 245.273 0.893 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1C[C@@H]1COC(C)(C)O1 ZINC000852122749 588665383 /nfs/dbraw/zinc/66/53/83/588665383.db2.gz HSYWRNAHWFCXCY-GMTAPVOTSA-N 0 3 229.320 0.983 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1C[C@H](O)c1ccccn1 ZINC000852123617 588665458 /nfs/dbraw/zinc/66/54/58/588665458.db2.gz RUBQIEGMGVRIGW-RTXFEEFZSA-N 0 3 236.315 0.960 20 0 BCADHN COC(CCN1CC[C@](O)(C(F)F)C1)OC ZINC000852122721 588665465 /nfs/dbraw/zinc/66/54/65/588665465.db2.gz HGBUJBOYCFIMDC-SNVBAGLBSA-N 0 3 239.262 0.697 20 0 BCADHN CCN1OC[C@H](N[C@H]2CCC2(C)C)C1=O ZINC000852125545 588665795 /nfs/dbraw/zinc/66/57/95/588665795.db2.gz SKWAOFZFGFUZPE-IUCAKERBSA-N 0 3 212.293 0.927 20 0 BCADHN C[S@@](=O)CCN(C1CC1)C1(CO)CCC1 ZINC000852157581 588667939 /nfs/dbraw/zinc/66/79/39/588667939.db2.gz BQOBTXOHZDSNKA-OAHLLOKOSA-N 0 3 231.361 0.744 20 0 BCADHN O=C1CC[C@@H](CN2C[C@@H]3C[C@H]2CS3)O1 ZINC000852163155 588668553 /nfs/dbraw/zinc/66/85/53/588668553.db2.gz BRJHXFJNRXTIBQ-CIUDSAMLSA-N 0 3 213.302 0.882 20 0 BCADHN CO[C@@H]1CC[C@@H](N[C@@H](CO)c2ccnn2C)C1 ZINC000852161194 588668675 /nfs/dbraw/zinc/66/86/75/588668675.db2.gz LLVFHNOIDOFESV-MXWKQRLJSA-N 0 3 239.319 0.611 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@H]1COC(C)(C)O1 ZINC000852206095 588671966 /nfs/dbraw/zinc/67/19/66/588671966.db2.gz YEZNWPCLJPUUBP-IVZWLZJFSA-N 0 3 231.292 0.141 20 0 BCADHN C[C@@H](CCO)N(C)C[C@@H](O)c1ccccn1 ZINC000852214391 588673141 /nfs/dbraw/zinc/67/31/41/588673141.db2.gz VYTKJJPDIKYWKP-CMPLNLGQSA-N 0 3 224.304 0.818 20 0 BCADHN C[C@H](O)CN(C[C@@H]1CCC(=O)O1)C1CC1 ZINC000852218115 588673818 /nfs/dbraw/zinc/67/38/18/588673818.db2.gz FHWDMUQSTLJSAR-WPRPVWTQSA-N 0 3 213.277 0.537 20 0 BCADHN C[C@@H](O)CN(C[C@H]1CCC(=O)O1)C1CC1 ZINC000852218112 588673828 /nfs/dbraw/zinc/67/38/28/588673828.db2.gz FHWDMUQSTLJSAR-PSASIEDQSA-N 0 3 213.277 0.537 20 0 BCADHN CN(CCC1OCCO1)Cc1cnc[nH]1 ZINC000852288958 588676192 /nfs/dbraw/zinc/67/61/92/588676192.db2.gz XBPZJYORBSXGBM-UHFFFAOYSA-N 0 3 211.265 0.605 20 0 BCADHN O=C1CCC2=C(CCN(CCc3cn[nH]n3)C2)N1 ZINC000852296592 588677366 /nfs/dbraw/zinc/67/73/66/588677366.db2.gz YONWPNNALHNXOT-UHFFFAOYSA-N 0 3 247.302 0.217 20 0 BCADHN O=C1CCC2=C(CCN(CCc3c[nH]nn3)C2)N1 ZINC000852296592 588677367 /nfs/dbraw/zinc/67/73/67/588677367.db2.gz YONWPNNALHNXOT-UHFFFAOYSA-N 0 3 247.302 0.217 20 0 BCADHN CO[C@]1(CO)CCCN(CCC(=O)C2CC2)C1 ZINC000852410339 588681187 /nfs/dbraw/zinc/68/11/87/588681187.db2.gz BDDBBMUGRBGHJN-CYBMUJFWSA-N 0 3 241.331 0.829 20 0 BCADHN O[C@H]1CCN(CCN2CCCC2)CC1(F)F ZINC000852413475 588681387 /nfs/dbraw/zinc/68/13/87/588681387.db2.gz WMGBIUAGEDXICQ-JTQLQIEISA-N 0 3 234.290 0.784 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@@H](N2CCOC2=O)C1 ZINC000852438619 588682145 /nfs/dbraw/zinc/68/21/45/588682145.db2.gz UROBYRYILXRZPI-MNOVXSKESA-N 0 3 242.319 0.530 20 0 BCADHN O=C1OCCN1[C@@H]1CCN(CC2(O)CCC2)C1 ZINC000852435503 588682229 /nfs/dbraw/zinc/68/22/29/588682229.db2.gz PSDMYKOQWRHQIM-SNVBAGLBSA-N 0 3 240.303 0.428 20 0 BCADHN CO[C@@H](C)CN1CC[C@H](N2CCOC2=O)C1 ZINC000852437929 588682455 /nfs/dbraw/zinc/68/24/55/588682455.db2.gz KGSPZWMWEZOKFO-UWVGGRQHSA-N 0 3 228.292 0.548 20 0 BCADHN CN(CCC1OCCCO1)C[C@@H]1COCCO1 ZINC000852495631 588685273 /nfs/dbraw/zinc/68/52/73/588685273.db2.gz MBRQZSLVMOSUAQ-LLVKDONJSA-N 0 3 245.319 0.487 20 0 BCADHN O[C@@]1(C2CC2)CCCN(CC2OCCO2)C1 ZINC000852501700 588686360 /nfs/dbraw/zinc/68/63/60/588686360.db2.gz SGZSYSYQOYXQFT-LBPRGKRZSA-N 0 3 227.304 0.596 20 0 BCADHN O[C@H](CN1CC[C@@]2(O)C[C@H]2C1)c1ccccn1 ZINC000852538329 588689192 /nfs/dbraw/zinc/68/91/92/588689192.db2.gz ZBFVJERALUZLKV-CYZMBNFOSA-N 0 3 234.299 0.572 20 0 BCADHN O=C1O[C@H](CN2CC[C@@]3(O)C[C@H]3C2)CC12CC2 ZINC000852537549 588689266 /nfs/dbraw/zinc/68/92/66/588689266.db2.gz HUYQETOVENVDFJ-OUJBWJOFSA-N 0 3 237.299 0.539 20 0 BCADHN O[C@@H](CN1CC[C@@]2(O)C[C@H]2C1)c1ccccn1 ZINC000852538330 588689422 /nfs/dbraw/zinc/68/94/22/588689422.db2.gz ZBFVJERALUZLKV-WCFLWFBJSA-N 0 3 234.299 0.572 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1C[C@@H](O)c1ccccn1 ZINC000852557913 588690066 /nfs/dbraw/zinc/69/00/66/588690066.db2.gz BUQVKKTYYSXGIU-RAIGVLPGSA-N 0 3 236.315 0.960 20 0 BCADHN COC[C@@H](C)N(C)CCN(C)C(=O)OC ZINC000852569672 588690971 /nfs/dbraw/zinc/69/09/71/588690971.db2.gz CNCJOCDGZYUADG-SECBINFHSA-N 0 3 218.297 0.651 20 0 BCADHN COC(=O)N(C)CCN(C)CCCNC(C)=O ZINC000852569287 588691089 /nfs/dbraw/zinc/69/10/89/588691089.db2.gz LCTKQRAHAQFGBQ-UHFFFAOYSA-N 0 3 245.323 0.143 20 0 BCADHN COC(=O)/C(C)=C/CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000852585134 588692492 /nfs/dbraw/zinc/69/24/92/588692492.db2.gz YQMQRAAMHWMDGI-MJMLHWTPSA-N 0 3 239.315 0.999 20 0 BCADHN C(C1OCCO1)N1CC[C@H]2COC[C@@H]2C1 ZINC000852666398 588694696 /nfs/dbraw/zinc/69/46/96/588694696.db2.gz RWYZNASEAWTGKR-UWVGGRQHSA-N 0 3 213.277 0.328 20 0 BCADHN O=C1OCCN1CCN1CC[C@H]2COC[C@@H]2C1 ZINC000852670057 588694902 /nfs/dbraw/zinc/69/49/02/588694902.db2.gz VJIADCHFJXTJGH-QWRGUYRKSA-N 0 3 240.303 0.407 20 0 BCADHN O[C@@H](CN1CCC2(COC2)C1)c1ccccn1 ZINC000852682767 588695396 /nfs/dbraw/zinc/69/53/96/588695396.db2.gz LSVLTXMCXFYVGB-LBPRGKRZSA-N 0 3 234.299 0.837 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)CCC(C)=O)C1 ZINC000852693075 588696353 /nfs/dbraw/zinc/69/63/53/588696353.db2.gz BODDAOWUPBFHAQ-AOOOYVTPSA-N 0 3 213.277 0.849 20 0 BCADHN CCN(CCC(=O)NC)Cc1cnn(CC)c1 ZINC000852688313 588696385 /nfs/dbraw/zinc/69/63/85/588696385.db2.gz SDHXMKJNOGZVPD-UHFFFAOYSA-N 0 3 238.335 0.861 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)C[C@@H]2CCC(=O)O2)C1 ZINC000852695785 588696467 /nfs/dbraw/zinc/69/64/67/588696467.db2.gz DYQHNIVVRNUYNV-AEJSXWLSSA-N 0 3 241.287 0.575 20 0 BCADHN CC(C)(O)CN1CCC(N2CCOC2=O)CC1 ZINC000852721284 588698131 /nfs/dbraw/zinc/69/81/31/588698131.db2.gz LFNYZROPMPRXOG-UHFFFAOYSA-N 0 3 242.319 0.674 20 0 BCADHN N[C@@H]1CN(CCOC(F)F)CC[C@H]1F ZINC000852762163 588700883 /nfs/dbraw/zinc/70/08/83/588700883.db2.gz HWZIEIAGIOASET-RNFRBKRXSA-N 0 3 212.215 0.597 20 0 BCADHN CN(C[C@H]1CC1(C)C)[C@H]1CCC(=O)NC1=O ZINC000852771262 588701183 /nfs/dbraw/zinc/70/11/83/588701183.db2.gz CSSRSPQVTHWYLE-BDAKNGLRSA-N 0 3 224.304 0.770 20 0 BCADHN COCC1(NCC(=O)N(C)OC)CCCCC1 ZINC000852772973 588701799 /nfs/dbraw/zinc/70/17/99/588701799.db2.gz RWTXRDATMSUVRQ-UHFFFAOYSA-N 0 3 244.335 0.945 20 0 BCADHN CC(C)OCCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852801157 588704159 /nfs/dbraw/zinc/70/41/59/588704159.db2.gz IILGRSNLIBKELB-SECBINFHSA-N 0 3 243.307 0.021 20 0 BCADHN NC[C@@H]1CC(C(=O)NC2CCCC2)=NO1 ZINC000852800831 588704349 /nfs/dbraw/zinc/70/43/49/588704349.db2.gz SPLDFICBNZPKAU-QMMMGPOBSA-N 0 3 211.265 0.149 20 0 BCADHN CCCCN(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852800584 588704412 /nfs/dbraw/zinc/70/44/12/588704412.db2.gz QGWOSFWGZHLFKB-MRVPVSSYSA-N 0 3 213.281 0.349 20 0 BCADHN CC(C)(C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852808280 588704963 /nfs/dbraw/zinc/70/49/63/588704963.db2.gz QDFZUWIJJMJOAK-MRVPVSSYSA-N 0 3 227.308 0.642 20 0 BCADHN NC[C@H]1CC(C(=O)NCC2CCC2)=NO1 ZINC000852812620 588705048 /nfs/dbraw/zinc/70/50/48/588705048.db2.gz BMHQPSGNONQMFZ-MRVPVSSYSA-N 0 3 211.265 0.006 20 0 BCADHN CCN(CC(C)C)C(=O)C1=NO[C@H](CN)C1 ZINC000852815951 588705359 /nfs/dbraw/zinc/70/53/59/588705359.db2.gz FNBXOGBSUNAXTJ-VIFPVBQESA-N 0 3 227.308 0.595 20 0 BCADHN CCCCN(C(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000852815969 588705479 /nfs/dbraw/zinc/70/54/79/588705479.db2.gz GBFOKFTWKLQKIR-JTQLQIEISA-N 0 3 239.319 0.881 20 0 BCADHN CC(C)C(C)(C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852822998 588705754 /nfs/dbraw/zinc/70/57/54/588705754.db2.gz BHADONIKNWQLMM-QMMMGPOBSA-N 0 3 227.308 0.641 20 0 BCADHN COCCCCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852822422 588705863 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PDYZMYVIIMIHDM-AOOOYVTPSA-N 0 3 245.392 0.437 20 0 BCADHN O=C(C=C1CCC1)NCCN1CC[C@@H](O)C1 ZINC000863322110 589279899 /nfs/dbraw/zinc/27/98/99/589279899.db2.gz NESGAUQWAUTGRE-LLVKDONJSA-N 0 3 224.304 0.280 20 0 BCADHN CS/C=C/C(=O)NCCN1CC[C@@H](O)C1 ZINC000863322588 589279904 /nfs/dbraw/zinc/27/99/04/589279904.db2.gz ZUVXUGDYXNZBEF-XKEGTWDPSA-N 0 3 230.333 0.046 20 0 BCADHN CN1CCC[C@H]1CNC(=O)/C=C\[C@H]1CCOC1 ZINC000863503149 589294494 /nfs/dbraw/zinc/29/44/94/589294494.db2.gz DDVDPZHXCMNDLC-DFPOMNKCSA-N 0 3 238.331 0.790 20 0 BCADHN CN1CCC[C@H]1CNC(=O)/C=C\[C@H]1CCCO1 ZINC000863503048 589294822 /nfs/dbraw/zinc/29/48/22/589294822.db2.gz VDCZLYXJQKPSCQ-QHDQMSKJSA-N 0 3 238.331 0.932 20 0 BCADHN Cn1cc(/C=C/C(=O)NC[C@@H]2CCCN2C)cn1 ZINC000863507063 589295385 /nfs/dbraw/zinc/29/53/85/589295385.db2.gz OSNNEXUZZMKSST-FYJFLYSWSA-N 0 3 248.330 0.644 20 0 BCADHN C/C=C/CN[C@@H]1CCN[C@@H]1C(=O)OCC ZINC000863547054 589298494 /nfs/dbraw/zinc/29/84/94/589298494.db2.gz OMZWMDVHQXERKO-AEJJFCSLSA-N 0 3 212.293 0.446 20 0 BCADHN CCn1nncc1CNC[C@H](O)C1CC1 ZINC000863561082 589299150 /nfs/dbraw/zinc/29/91/50/589299150.db2.gz URDYWMXXZUNBFE-JTQLQIEISA-N 0 3 210.281 0.159 20 0 BCADHN CCN(Cc1ccoc1)C(=O)[C@@H]1C[C@@H]1N ZINC000863579147 589301170 /nfs/dbraw/zinc/30/11/70/589301170.db2.gz GXALRJPCOXKHJB-ZJUUUORDSA-N 0 3 208.261 0.975 20 0 BCADHN O=C(/C=C\C1CC1)NCCN1CC[C@H](O)C1 ZINC000863831571 589321955 /nfs/dbraw/zinc/32/19/55/589321955.db2.gz KVQINLGXHCOUOU-BYCRGOAPSA-N 0 3 224.304 0.135 20 0 BCADHN O=C(/C=C/c1ccc[nH]1)NCCN1CC[C@H](O)C1 ZINC000863833717 589322013 /nfs/dbraw/zinc/32/20/13/589322013.db2.gz UQQONUWHDMIZAQ-PCAWENJQSA-N 0 3 249.314 0.211 20 0 BCADHN C/C(=C/C(=O)NCCN1CC[C@H](O)C1)C1CC1 ZINC000863831652 589322251 /nfs/dbraw/zinc/32/22/51/589322251.db2.gz LUAAVNLTAYVFKC-CUZBXDDWSA-N 0 3 238.331 0.526 20 0 BCADHN CN(C)CCONC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000863920868 589326377 /nfs/dbraw/zinc/32/63/77/589326377.db2.gz NVRFNCKFNNUGJM-NXEZZACHSA-N 0 3 238.287 0.993 20 0 BCADHN C[C@](O)(C[C@H](O)CN1CC[C@H]2C[C@H]21)C1CC1 ZINC000863968372 589329172 /nfs/dbraw/zinc/32/91/72/589329172.db2.gz ILPKAMZDNKUMBE-SYEHKZFSSA-N 0 3 225.332 0.993 20 0 BCADHN CC1(C)CCN1C[C@@H](O)CC1(O)CCOCC1 ZINC000863969499 589329794 /nfs/dbraw/zinc/32/97/94/589329794.db2.gz WCRGLJSKXUIRQY-NSHDSACASA-N 0 3 243.347 0.763 20 0 BCADHN CO[C@@H]1CCN(C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000863968058 589329809 /nfs/dbraw/zinc/32/98/09/589329809.db2.gz DERBUNYSIXPHKP-XQQFMLRXSA-N 0 3 243.347 0.619 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NCc1cnc[nH]1 ZINC000864050025 589335526 /nfs/dbraw/zinc/33/55/26/589335526.db2.gz RQYIVLVOIHTLRM-MRVPVSSYSA-N 0 3 208.265 0.024 20 0 BCADHN Cc1nc[nH]c1C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000864084564 589342033 /nfs/dbraw/zinc/34/20/33/589342033.db2.gz LJJZWRHWQXLYJT-CYBMUJFWSA-N 0 3 248.330 0.932 20 0 BCADHN CON(C)C(=O)CN[C@H]1CC(C)(C)OC1(C)C ZINC000119871060 589345515 /nfs/dbraw/zinc/34/55/15/589345515.db2.gz BTPMUAUEWVCZPJ-VIFPVBQESA-N 0 3 244.335 0.942 20 0 BCADHN COCCNC(=O)N1CCN(C)C(C)(C)CC1 ZINC000864415274 589360651 /nfs/dbraw/zinc/36/06/51/589360651.db2.gz GNUXFPUNJAOJKL-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN CCOC1CC2(C[C@@H]2C(=O)NCCN(C)C)C1 ZINC000864416147 589360791 /nfs/dbraw/zinc/36/07/91/589360791.db2.gz MNXOODNCXQDHKA-QWKFWESOSA-N 0 3 240.347 0.869 20 0 BCADHN CCOC1CC2(C[C@H]2C(=O)NCCN(C)C)C1 ZINC000864416146 589360802 /nfs/dbraw/zinc/36/08/02/589360802.db2.gz MNXOODNCXQDHKA-AKJDGMEZSA-N 0 3 240.347 0.869 20 0 BCADHN Cc1ccn(C[C@@H](C)C(=O)NCCN(C)C)n1 ZINC000864416125 589360814 /nfs/dbraw/zinc/36/08/14/589360814.db2.gz LYANUURUHQVQNB-SNVBAGLBSA-N 0 3 238.335 0.505 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)/C=C/COC ZINC000864609645 589383139 /nfs/dbraw/zinc/38/31/39/589383139.db2.gz AZXOMIQHAXJROC-ZRQQLDRUSA-N 0 3 226.320 0.790 20 0 BCADHN Cc1cnn(Cc2cn(CCN(C)C)nn2)c1 ZINC000864623409 589384851 /nfs/dbraw/zinc/38/48/51/589384851.db2.gz JQNMNHFAJZOXKF-UHFFFAOYSA-N 0 3 234.307 0.393 20 0 BCADHN C[C@@H](O)CCc1cn(CCN(C)C)nn1 ZINC000864623746 589385017 /nfs/dbraw/zinc/38/50/17/589385017.db2.gz MWUDDVSTNAUIPF-SECBINFHSA-N 0 3 212.297 0.153 20 0 BCADHN CCC[C@@H](N)c1cn([C@H]2CCOC2=O)nn1 ZINC000864641153 589387025 /nfs/dbraw/zinc/38/70/25/589387025.db2.gz SVUMQVPARUDCDW-APPZFPTMSA-N 0 3 224.264 0.566 20 0 BCADHN CN(C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CCC1 ZINC000120245585 589397525 /nfs/dbraw/zinc/39/75/25/589397525.db2.gz RMFPUFWOGWKOCD-MXWKQRLJSA-N 0 3 238.331 0.907 20 0 BCADHN CC/C=C(/F)C(=O)NCCN(C)CCOC ZINC000865123523 589409928 /nfs/dbraw/zinc/40/99/28/589409928.db2.gz MGUIXUBSSLCZGN-BJMVGYQFSA-N 0 3 232.299 0.944 20 0 BCADHN CN(C)CCNC(=S)NCC(C)(C)F ZINC000865241628 589414982 /nfs/dbraw/zinc/41/49/82/589414982.db2.gz MPCIKGRKTLKXMH-UHFFFAOYSA-N 0 3 221.345 0.760 20 0 BCADHN CC[C@@H](CO)NCc1cnc2c(cnn2C)c1 ZINC000865397441 589431994 /nfs/dbraw/zinc/43/19/94/589431994.db2.gz HGSGYTQRMKORAQ-NSHDSACASA-N 0 3 234.303 0.829 20 0 BCADHN COC[C@H](C)CN(C)[C@@H]1CCCCNC1=O ZINC000120556658 589434834 /nfs/dbraw/zinc/43/48/34/589434834.db2.gz KXQAKUCPKNOHOC-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN C[S@](=O)CCNCc1ccc(=O)[nH]c1 ZINC000865467387 589438460 /nfs/dbraw/zinc/43/84/60/589438460.db2.gz ZFNGPLKSTHGEGB-AWEZNQCLSA-N 0 3 214.290 0.255 20 0 BCADHN C[C@@H](CCO)NCc1cnc2c(cnn2C)c1 ZINC000865471237 589439421 /nfs/dbraw/zinc/43/94/21/589439421.db2.gz PCVKBNWVSOBFJC-VIFPVBQESA-N 0 3 234.303 0.829 20 0 BCADHN CCOc1cc(F)cc(CNC[C@@H](O)CO)c1 ZINC000865547651 589445436 /nfs/dbraw/zinc/44/54/36/589445436.db2.gz HJKQQACMMBTGMK-LLVKDONJSA-N 0 3 243.278 0.667 20 0 BCADHN COC[C@H](O)CNCc1cnc(Cl)c(F)c1 ZINC000865556285 589446459 /nfs/dbraw/zinc/44/64/59/589446459.db2.gz BODQWYABFVIKDF-MRVPVSSYSA-N 0 3 248.685 0.971 20 0 BCADHN CCOc1cncc(CNC[C@@H](O)[C@@H](C)O)c1 ZINC000865739111 589459665 /nfs/dbraw/zinc/45/96/65/589459665.db2.gz RYGRWZLCPQVMRO-BXKDBHETSA-N 0 3 240.303 0.312 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1ccc2[nH]cnc2c1 ZINC000865742207 589460046 /nfs/dbraw/zinc/46/00/46/589460046.db2.gz WVQSRIQXHMAMOZ-PRHODGIISA-N 0 3 235.287 0.394 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1ccc2nc[nH]c2c1 ZINC000865742207 589460047 /nfs/dbraw/zinc/46/00/47/589460047.db2.gz WVQSRIQXHMAMOZ-PRHODGIISA-N 0 3 235.287 0.394 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1ccc2c[nH]nc2c1 ZINC000865740612 589460201 /nfs/dbraw/zinc/46/02/01/589460201.db2.gz IZCRAAOFHGPXTH-QPUJVOFHSA-N 0 3 235.287 0.394 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1ccccc1N(C)C ZINC000865741973 589460283 /nfs/dbraw/zinc/46/02/83/589460283.db2.gz VMEADEDBPNKVBW-GWCFXTLKSA-N 0 3 238.331 0.584 20 0 BCADHN O=C1OC[C@]2(CNCC3(F)CC3)COCCN12 ZINC000865770329 589461607 /nfs/dbraw/zinc/46/16/07/589461607.db2.gz KIMDGTUZDMTUMS-NSHDSACASA-N 0 3 244.266 0.299 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)C1(F)CCOCC1 ZINC000865808409 589462580 /nfs/dbraw/zinc/46/25/80/589462580.db2.gz KLEDJDMXJHEEJK-SNVBAGLBSA-N 0 3 244.310 0.716 20 0 BCADHN Cc1c[nH]nc1CNc1cc2n(n1)CCN(C)C2 ZINC000865846239 589464643 /nfs/dbraw/zinc/46/46/43/589464643.db2.gz NIBBHZVFKKGSKM-UHFFFAOYSA-N 0 3 246.318 0.972 20 0 BCADHN CC[C@@H](C[C@@H](C)O)NCc1cnnn1CC ZINC000865873852 589466259 /nfs/dbraw/zinc/46/62/59/589466259.db2.gz KTBKHPYJYLNEGQ-ZJUUUORDSA-N 0 3 226.324 0.937 20 0 BCADHN O[C@@H]1CCN(CCNc2ccc(F)nn2)C1 ZINC000865972392 589470967 /nfs/dbraw/zinc/47/09/67/589470967.db2.gz KRNWCJDKJWCDKX-MRVPVSSYSA-N 0 3 226.255 0.094 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Nc3ccncn3)[C@H]2C1 ZINC000866000183 589471905 /nfs/dbraw/zinc/47/19/05/589471905.db2.gz AXCRTAKTPIMRQJ-ZJUUUORDSA-N 0 3 247.302 0.644 20 0 BCADHN CN(C)C(=O)N1CCc2nccc(N)c2C1 ZINC000866103076 589476256 /nfs/dbraw/zinc/47/62/56/589476256.db2.gz NRHZBEYWIXHHPH-UHFFFAOYSA-N 0 3 220.276 0.704 20 0 BCADHN CO[C@H]1C[C@@H](N[C@@H]2COC[C@@H]2O)C12CCC2 ZINC000866420922 589492013 /nfs/dbraw/zinc/49/20/13/589492013.db2.gz SUUUADGUTABHIO-YTWAJWBKSA-N 0 3 227.304 0.293 20 0 BCADHN CNCCN(C)S(=O)(=O)C1(C(C)C)CC1 ZINC000866760774 589517871 /nfs/dbraw/zinc/51/78/71/589517871.db2.gz XKYITIGOGBHQBJ-UHFFFAOYSA-N 0 3 234.365 0.656 20 0 BCADHN CCS(=O)(=O)N1CC[C@H]2[C@@H](CCN2C)C1 ZINC000867808425 589534614 /nfs/dbraw/zinc/53/46/14/589534614.db2.gz MZZKJBPVJOPWDU-UWVGGRQHSA-N 0 3 232.349 0.362 20 0 BCADHN CNCC(=O)NC[C@@H]1c2ccccc2CN1C ZINC000867999113 589543016 /nfs/dbraw/zinc/54/30/16/589543016.db2.gz RRFUGACODJVZLB-GFCCVEGCSA-N 0 3 233.315 0.509 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccn(CCF)n1 ZINC000868025999 589544155 /nfs/dbraw/zinc/54/41/55/589544155.db2.gz YNWDYNDFDUUUEX-ZCFIWIBFSA-N 0 3 200.217 0.138 20 0 BCADHN NC1(C(=O)N[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000868047454 589546914 /nfs/dbraw/zinc/54/69/14/589546914.db2.gz OAFNNIPQHQRZOW-VHSXEESVSA-N 0 3 224.304 0.409 20 0 BCADHN CNCC(=O)NC1([C@@H]2CCCCO2)CCC1 ZINC000868048389 589546943 /nfs/dbraw/zinc/54/69/43/589546943.db2.gz VOWOHZVFFWICFO-JTQLQIEISA-N 0 3 226.320 0.814 20 0 BCADHN COc1cccc2[nH]c(NC(=O)[C@H]3CCN3)nc21 ZINC000868061096 589547116 /nfs/dbraw/zinc/54/71/16/589547116.db2.gz ATKCJUGCHCGSKQ-MRVPVSSYSA-N 0 3 246.270 0.872 20 0 BCADHN CCNC(=S)NCCN(C)CCOC ZINC000122123624 589556544 /nfs/dbraw/zinc/55/65/44/589556544.db2.gz RLIVUIXJDDIKOX-UHFFFAOYSA-N 0 3 219.354 0.049 20 0 BCADHN C=C=CCNC(=O)c1cnn(CCN(C)C)c1 ZINC000868496490 589561258 /nfs/dbraw/zinc/56/12/58/589561258.db2.gz ILROUMPSMSCJEH-UHFFFAOYSA-N 0 3 234.303 0.516 20 0 BCADHN CC[C@@H](C)C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869783883 589629475 /nfs/dbraw/zinc/62/94/75/589629475.db2.gz NWVCQEXWZKRFEU-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000870548575 589673432 /nfs/dbraw/zinc/67/34/32/589673432.db2.gz OPLDXFCVNGQSJX-ZNSHCXBVSA-N 0 3 227.304 0.762 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)CCNC(=O)NC ZINC000870548007 589673650 /nfs/dbraw/zinc/67/36/50/589673650.db2.gz LSLIOSOOGMKHJT-SECBINFHSA-N 0 3 245.323 0.189 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)[C@@H](NC=O)C(C)C ZINC000870548164 589673705 /nfs/dbraw/zinc/67/37/05/589673705.db2.gz KUIBFTJXYSYBBH-MNOVXSKESA-N 0 3 244.335 0.640 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)c1nnn(C)c1C ZINC000870551153 589673987 /nfs/dbraw/zinc/67/39/87/589673987.db2.gz LVZHFGCQXWPOKW-SECBINFHSA-N 0 3 240.307 0.621 20 0 BCADHN CCOCC(=O)O[C@@H](CC)CN(C)C ZINC000870553006 589674644 /nfs/dbraw/zinc/67/46/44/589674644.db2.gz VXCSMHFJPJUBFC-VIFPVBQESA-N 0 3 203.282 0.906 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)CCn1ccnn1 ZINC000870552257 589674936 /nfs/dbraw/zinc/67/49/36/589674936.db2.gz DZNUQFCEOAZPCB-SNVBAGLBSA-N 0 3 240.307 0.552 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)C1CN(C(C)=O)C1 ZINC000870553497 589675342 /nfs/dbraw/zinc/67/53/42/589675342.db2.gz LMYSVUIRLUNXEQ-LLVKDONJSA-N 0 3 242.319 0.348 20 0 BCADHN CCC(=O)N[C@H](C)C(=O)O[C@H](CC)CN(C)C ZINC000870555183 589675355 /nfs/dbraw/zinc/67/53/55/589675355.db2.gz SCFKQKLPNVCMGU-NXEZZACHSA-N 0 3 244.335 0.785 20 0 BCADHN CCC(=O)N[C@@H](C)C(=O)O[C@H](CC)CN(C)C ZINC000870555185 589675457 /nfs/dbraw/zinc/67/54/57/589675457.db2.gz SCFKQKLPNVCMGU-VHSXEESVSA-N 0 3 244.335 0.785 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)[C@@H]1CCC(=O)N1C ZINC000870553536 589675885 /nfs/dbraw/zinc/67/58/85/589675885.db2.gz LZMGPIIEZVGXEX-UWVGGRQHSA-N 0 3 242.319 0.491 20 0 BCADHN CC(=O)NCC(=O)O[C@H](CN(C)C)C(C)C ZINC000870568729 589676575 /nfs/dbraw/zinc/67/65/75/589676575.db2.gz ISVIXKOBRTYQEV-SNVBAGLBSA-N 0 3 230.308 0.252 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000870981862 589704589 /nfs/dbraw/zinc/70/45/89/589704589.db2.gz KJWDYOKFCGSSGS-IWSPIJDZSA-N 0 3 214.334 0.545 20 0 BCADHN C[C@H](NC1CC1)C(=O)N[C@@H](C)c1ccnn1C ZINC000871010277 589710798 /nfs/dbraw/zinc/71/07/98/589710798.db2.gz AGMVZTFMPXVWIA-IUCAKERBSA-N 0 3 236.319 0.738 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)C1CCC1)c1ccnn1C ZINC000871011776 589711296 /nfs/dbraw/zinc/71/12/96/589711296.db2.gz YJLBQIXIVDBFLS-KCJUWKMLSA-N 0 3 236.319 0.725 20 0 BCADHN CN1CCN(C(=O)c2cc[nH]n2)CCC1(C)C ZINC000871152812 589739965 /nfs/dbraw/zinc/73/99/65/589739965.db2.gz UBJLXEOOOJJUAX-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN CN1CCN(C(=O)c2ccn[nH]2)CCC1(C)C ZINC000871152812 589739968 /nfs/dbraw/zinc/73/99/68/589739968.db2.gz UBJLXEOOOJJUAX-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871157869 589740975 /nfs/dbraw/zinc/74/09/75/589740975.db2.gz HOFNTPANAKHTQG-LLVKDONJSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)N1CCN(CCC2OCCO2)CC1 ZINC000123676133 589765582 /nfs/dbraw/zinc/76/55/82/589765582.db2.gz NCLMUVVOLUHMCG-UHFFFAOYSA-N 0 3 228.336 0.775 20 0 BCADHN CC[S@@](=O)CCNCc1nc(C)ccc1O ZINC000123701178 589771695 /nfs/dbraw/zinc/77/16/95/589771695.db2.gz MCGZCOVLTRVKOG-INIZCTEOSA-N 0 3 242.344 0.954 20 0 BCADHN NC(=O)[C@@H]1CCCCN1CCC1OCCO1 ZINC000123718664 589776428 /nfs/dbraw/zinc/77/64/28/589776428.db2.gz RAXCGGMHDWOONR-VIFPVBQESA-N 0 3 228.292 0.089 20 0 BCADHN COC(=O)[C@@H](C)Nc1cc2n(n1)CCN(C)C2 ZINC000871927012 589833042 /nfs/dbraw/zinc/83/30/42/589833042.db2.gz OCHJYTNJYOIUCJ-MRVPVSSYSA-N 0 3 238.291 0.302 20 0 BCADHN CC[C@H](Nc1cc2n(n1)CCN(C)C2)C(N)=O ZINC000871928917 589833582 /nfs/dbraw/zinc/83/35/82/589833582.db2.gz 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227.308 0.582 20 0 BCADHN Cc1ccc([C@H](O)CN[C@@H]2COC[C@@H]2O)cc1 ZINC000872219077 589895720 /nfs/dbraw/zinc/89/57/20/589895720.db2.gz VBDUAVONCBJAAN-UPJWGTAASA-N 0 3 237.299 0.378 20 0 BCADHN COCCOC[C@@H](O)CN[C@@H]1CCCC[C@@H]1F ZINC000872219753 589896627 /nfs/dbraw/zinc/89/66/27/589896627.db2.gz XJLZZXNSHGGLTF-SDDRHHMPSA-N 0 3 249.326 0.881 20 0 BCADHN O[C@H](CN[C@H]1CCC[C@@H]1O)c1ccc(F)cn1 ZINC000872224801 589896992 /nfs/dbraw/zinc/89/69/92/589896992.db2.gz MJBPNZUDQOPIIX-ZMLRMANQSA-N 0 3 240.278 0.757 20 0 BCADHN Cc1ccc([C@H](O)CNC[C@@H](O)[C@H](C)O)cc1 ZINC000872225156 589897555 /nfs/dbraw/zinc/89/75/55/589897555.db2.gz ZEZZBJHPXZTRKN-CYZMBNFOSA-N 0 3 239.315 0.360 20 0 BCADHN CCN(CC)CC(=O)N1CCNCCC1(C)C ZINC000872297967 589907776 /nfs/dbraw/zinc/90/77/76/589907776.db2.gz ZQPKJLWYJGTFCA-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872308584 589908731 /nfs/dbraw/zinc/90/87/31/589908731.db2.gz DQXQHVOQFYZGGQ-NRUUGDAUSA-N 0 3 238.331 0.812 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589959265 /nfs/dbraw/zinc/95/92/65/589959265.db2.gz LBMXQOVFSYKXTQ-INIZCTEOSA-N 0 3 243.328 0.869 20 0 BCADHN CN1CCN(CN2CCC2=O)CCC1(C)C ZINC000872697280 589962801 /nfs/dbraw/zinc/96/28/01/589962801.db2.gz IXDRTFICKWLFIT-UHFFFAOYSA-N 0 3 225.336 0.592 20 0 BCADHN C[S@@](=O)CCCNCc1ccccn1 ZINC000124223257 589965573 /nfs/dbraw/zinc/96/55/73/589965573.db2.gz IYCXAWDFVARTNC-AWEZNQCLSA-N 0 3 212.318 0.940 20 0 BCADHN c1nc2nc3c(c(N4CCNCC4)n2n1)CCC3 ZINC000872772024 589967474 /nfs/dbraw/zinc/96/74/74/589967474.db2.gz NVYKAVJEJDSANB-UHFFFAOYSA-N 0 3 244.302 0.023 20 0 BCADHN Fc1cc(N2C[C@H]3CCC[C@@H](C2)N3)ncn1 ZINC000872773335 589967673 /nfs/dbraw/zinc/96/76/73/589967673.db2.gz JXBZDCIQQTYZHD-DTORHVGOSA-N 0 3 222.267 0.946 20 0 BCADHN C[C@H](N=c1ncnc2[nH][n-]cc1-2)C1CC[NH2+]CC1 ZINC000872784007 589970967 /nfs/dbraw/zinc/97/09/67/589970967.db2.gz VSXZMVFBGMGKQU-QMMMGPOBSA-N 0 3 246.318 0.526 20 0 BCADHN C[C@@H](N)c1cn([C@@H](C)C(=O)N2CCCC2)nn1 ZINC000124281776 589972715 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Cn1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)n1 ZINC000874841602 590145020 /nfs/dbraw/zinc/14/50/20/590145020.db2.gz WFYMUCKWPRWLCE-NWDGAFQWSA-N 0 3 248.330 0.729 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1=COCC1 ZINC000874840124 590145570 /nfs/dbraw/zinc/14/55/70/590145570.db2.gz KDFTUGSJLGECRE-NWDGAFQWSA-N 0 3 236.315 0.986 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000874878279 590152386 /nfs/dbraw/zinc/15/23/86/590152386.db2.gz AICLSEAHQRMDON-LLVKDONJSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H](C(C)(C)O)C1)N(C)C ZINC000874877874 590152657 /nfs/dbraw/zinc/15/26/57/590152657.db2.gz DTJPJMUTVSKNJV-WDEREUQCSA-N 0 3 242.363 0.946 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000874882219 590153123 /nfs/dbraw/zinc/15/31/23/590153123.db2.gz ZUDWLISMIXWPRA-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)C(=O)NCCN(C)CCC1OCCO1 ZINC000125312094 590160819 /nfs/dbraw/zinc/16/08/19/590160819.db2.gz WOYJZPBPBUVVFQ-UHFFFAOYSA-N 0 3 244.335 0.453 20 0 BCADHN CC1=NO[C@@H](CNC(=O)N(C)CCN(C)C)C1 ZINC000875972311 590180901 /nfs/dbraw/zinc/18/09/01/590180901.db2.gz OIIVCIBLMMNSFJ-SNVBAGLBSA-N 0 3 242.323 0.354 20 0 BCADHN CN(C)CC(C)(C)NC(=O)Nc1ncccn1 ZINC000888703732 590189323 /nfs/dbraw/zinc/18/93/23/590189323.db2.gz JDTIZMHDLDPGGV-UHFFFAOYSA-N 0 3 237.307 0.938 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1cccc2c1CCN2 ZINC000876540063 590212331 /nfs/dbraw/zinc/21/23/31/590212331.db2.gz FAIMVEWVBHYNPK-JTQLQIEISA-N 0 3 248.330 0.482 20 0 BCADHN CC1(CN2CCN(CC(N)=O)CC2)CCCC1 ZINC000876554490 590215005 /nfs/dbraw/zinc/21/50/05/590215005.db2.gz BASNIGFZKKOBFR-UHFFFAOYSA-N 0 3 239.363 0.670 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)[C@@H]1CCCCNC1=O ZINC000876631346 590223789 /nfs/dbraw/zinc/22/37/89/590223789.db2.gz IERRDYQTAUXGRF-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN C[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)[C@H]1C ZINC000876634924 590224312 /nfs/dbraw/zinc/22/43/12/590224312.db2.gz GXMIMAUMSYFFSA-DCAQKATOSA-N 0 3 227.352 0.522 20 0 BCADHN C[C@H]1CCC[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876649296 590225690 /nfs/dbraw/zinc/22/56/90/590225690.db2.gz RICKCTPVSNQHGY-GUBZILKMSA-N 0 3 213.325 0.180 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1cnc(C2CC2)nc1 ZINC000876644663 590225778 /nfs/dbraw/zinc/22/57/78/590225778.db2.gz CXKWHAOVMYGXPV-JTQLQIEISA-N 0 3 249.318 0.181 20 0 BCADHN C[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CN(C)C)[C@H](C)C1 ZINC000876661531 590227328 /nfs/dbraw/zinc/22/73/28/590227328.db2.gz GRXCKZOWFPFOFN-WISYIIOYSA-N 0 3 241.379 0.816 20 0 BCADHN Cc1nonc1CNC(=O)[C@H](N)CCC(C)C ZINC000876667653 590227881 /nfs/dbraw/zinc/22/78/81/590227881.db2.gz KFSJIOROTPZYNH-SECBINFHSA-N 0 3 240.307 0.758 20 0 BCADHN CCCC[C@@H](COC)NC(=O)[C@@H](N)CN(C)C ZINC000876672467 590228642 /nfs/dbraw/zinc/22/86/42/590228642.db2.gz DHMJSQOVYVIINB-QWRGUYRKSA-N 0 3 245.367 0.197 20 0 BCADHN C[C@H]1CCC[C@H](C)N(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876670565 590228656 /nfs/dbraw/zinc/22/86/56/590228656.db2.gz MHFFSBXFJRSKGH-SRVKXCTJSA-N 0 3 241.379 0.912 20 0 BCADHN C[C@@H]1CCC[C@H](C)CN1C(=O)[C@@H](N)CN(C)C ZINC000876670566 590228830 /nfs/dbraw/zinc/22/88/30/590228830.db2.gz MHFFSBXFJRSKGH-TUAOUCFPSA-N 0 3 241.379 0.912 20 0 BCADHN C[C@H]1C[C@H](C)N(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876676687 590229886 /nfs/dbraw/zinc/22/98/86/590229886.db2.gz USGMNIFKYWNMQN-GUBZILKMSA-N 0 3 213.325 0.132 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCC1CCC1 ZINC000126101977 590230193 /nfs/dbraw/zinc/23/01/93/590230193.db2.gz QXCNVIARJNROJH-NSHDSACASA-N 0 3 241.335 0.002 20 0 BCADHN CCN[C@H](C)C(=O)N[C@](C)(CC)CC(=O)OC ZINC000876700713 590231933 /nfs/dbraw/zinc/23/19/33/590231933.db2.gz IIILQMNXMAPANL-BXKDBHETSA-N 0 3 244.335 0.832 20 0 BCADHN CCN[C@@H](C)C(=O)NCCOc1cccnc1 ZINC000876743693 590235795 /nfs/dbraw/zinc/23/57/95/590235795.db2.gz HNABXUITSBDDBI-JTQLQIEISA-N 0 3 237.303 0.575 20 0 BCADHN Cc1ccc(N)cc1NC(=O)CN1CCNCC1 ZINC000876831483 590247696 /nfs/dbraw/zinc/24/76/96/590247696.db2.gz FZGYVSVDJMWCAB-UHFFFAOYSA-N 0 3 248.330 0.421 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc(Cl)no1 ZINC000876856428 590250197 /nfs/dbraw/zinc/25/01/97/590250197.db2.gz FJNNXPULEGALBW-WDSKDSINSA-N 0 3 247.657 0.758 20 0 BCADHN CCN[C@H](C)C(=O)Nc1ccc2nncn2c1 ZINC000876885064 590253586 /nfs/dbraw/zinc/25/35/86/590253586.db2.gz UBKJKIPYMSIUGB-MRVPVSSYSA-N 0 3 233.275 0.666 20 0 BCADHN CC(C)N(CC1CCC1)C(=O)[C@@H](N)CN(C)C ZINC000876910999 590255924 /nfs/dbraw/zinc/25/59/24/590255924.db2.gz RWOGZSCUXUTGES-LBPRGKRZSA-N 0 3 241.379 0.912 20 0 BCADHN CCC[C@@H](CC)C(=O)NC[C@H]1CNCCO1 ZINC000876916774 590256747 /nfs/dbraw/zinc/25/67/47/590256747.db2.gz GFCZFFKZGIEPDH-GHMZBOCLSA-N 0 3 228.336 0.917 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NC/C=C/c1ccccc1 ZINC000876943567 590259312 /nfs/dbraw/zinc/25/93/12/590259312.db2.gz SAGXBGMZNNPSSJ-GPEUJJIWSA-N 0 3 246.310 0.932 20 0 BCADHN Nc1c(F)cccc1CNCCn1cncn1 ZINC000876977739 590264029 /nfs/dbraw/zinc/26/40/29/590264029.db2.gz CLLADQCOBXPMQM-UHFFFAOYSA-N 0 3 235.266 0.789 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1cnn(CC)n1 ZINC000876990038 590265538 /nfs/dbraw/zinc/26/55/38/590265538.db2.gz NYHVLJLBBNYLNE-WPRPVWTQSA-N 0 3 239.323 0.288 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CC=C(C(=O)OC)C1 ZINC000877002411 590268030 /nfs/dbraw/zinc/26/80/30/590268030.db2.gz ULJMQGGIOJVHGL-SCZZXKLOSA-N 0 3 240.303 0.362 20 0 BCADHN CN1CC[C@@H](NCc2ccc(Cl)nn2)C1 ZINC000877019021 590269582 /nfs/dbraw/zinc/26/95/82/590269582.db2.gz DSDBTDMRXHXPDP-SECBINFHSA-N 0 3 226.711 0.924 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C1CC1)C1CC1 ZINC000877024144 590270514 /nfs/dbraw/zinc/27/05/14/590270514.db2.gz RWTJMJPFYISWSZ-JTQLQIEISA-N 0 3 211.309 0.029 20 0 BCADHN CCc1cc(CN[C@@H]2CCCNC(=O)C2)n[nH]1 ZINC000877033591 590272208 /nfs/dbraw/zinc/27/22/08/590272208.db2.gz GZJWLVOQZSEDNT-SNVBAGLBSA-N 0 3 236.319 0.730 20 0 BCADHN CCc1cc(CN[C@@H]2CCCNC(=O)C2)[nH]n1 ZINC000877033591 590272210 /nfs/dbraw/zinc/27/22/10/590272210.db2.gz GZJWLVOQZSEDNT-SNVBAGLBSA-N 0 3 236.319 0.730 20 0 BCADHN O=C(N1CCC(F)(F)CC1)[C@]1(F)CCNC1 ZINC000877033699 590272219 /nfs/dbraw/zinc/27/22/19/590272219.db2.gz KPQMVXGGKHWOFP-VIFPVBQESA-N 0 3 236.237 0.946 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000877043487 590274027 /nfs/dbraw/zinc/27/40/27/590274027.db2.gz KHYPWSFQJZTNCQ-KNDBQHFLSA-N 0 3 244.310 0.616 20 0 BCADHN C[C@@H](CCO)NCc1ccc(Cl)nn1 ZINC000877052035 590274659 /nfs/dbraw/zinc/27/46/59/590274659.db2.gz QNCLKAUHOIJVTB-ZETCQYMHSA-N 0 3 215.684 0.991 20 0 BCADHN O=C(N1CCO[C@H](CCF)C1)[C@@]1(F)CCNC1 ZINC000877061517 590276915 /nfs/dbraw/zinc/27/69/15/590276915.db2.gz JUUIPAAWKNKVFG-MWLCHTKSSA-N 0 3 248.273 0.275 20 0 BCADHN CCC[C@H](CNC[C@H](O)c1cnn(C)c1)OC ZINC000877072567 590277893 /nfs/dbraw/zinc/27/78/93/590277893.db2.gz OWIXPKBGUGRAGC-NEPJUHHUSA-N 0 3 241.335 0.858 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H](C)C(=O)N(C)OC ZINC000877088319 590280755 /nfs/dbraw/zinc/28/07/55/590280755.db2.gz CCBIYEVGTXRFPQ-KWQFWETISA-N 0 3 245.323 0.028 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H](C)C(=O)N(C)OC ZINC000877088318 590280820 /nfs/dbraw/zinc/28/08/20/590280820.db2.gz CCBIYEVGTXRFPQ-GZMMTYOYSA-N 0 3 245.323 0.028 20 0 BCADHN CC[C@@](C)(CNC1CN(C(=O)OC)C1)OC ZINC000877098641 590282325 /nfs/dbraw/zinc/28/23/25/590282325.db2.gz UKMYHDWLLOADBV-NSHDSACASA-N 0 3 230.308 0.842 20 0 BCADHN C[C@H]([NH3+])CN(C)C(=O)c1ccc(N)cc1[O-] ZINC000877104833 590284682 /nfs/dbraw/zinc/28/46/82/590284682.db2.gz KJCYSHUGOICZLO-ZETCQYMHSA-N 0 3 223.276 0.394 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000877114597 590287727 /nfs/dbraw/zinc/28/77/27/590287727.db2.gz VJGXTCFILQTBHW-KBVBSXBZSA-N 0 3 240.303 0.135 20 0 BCADHN CO[C@]1(CNCC2(C)OCCO2)CCOC1 ZINC000877118376 590288179 /nfs/dbraw/zinc/28/81/79/590288179.db2.gz ZOAJAJJSKDALBY-NSHDSACASA-N 0 3 231.292 0.145 20 0 BCADHN CO[C@@H](CNCC1(C)OCCO1)[C@H]1CCOC1 ZINC000877117905 590288366 /nfs/dbraw/zinc/28/83/66/590288366.db2.gz CVBPCJWMNGSDFR-QWRGUYRKSA-N 0 3 245.319 0.391 20 0 BCADHN O=C(NCC[C@H]1CCSC1)[C@@]1(F)CCNC1 ZINC000877123574 590289459 /nfs/dbraw/zinc/28/94/59/590289459.db2.gz ZWWRXUIKZSPXAB-GXSJLCMTSA-N 0 3 246.351 0.947 20 0 BCADHN CC(C)(F)CNC(=O)[C@@]1(F)CCNC1 ZINC000877123729 590289509 /nfs/dbraw/zinc/28/95/09/590289509.db2.gz BYUBUSIOYGHHSN-SECBINFHSA-N 0 3 206.236 0.552 20 0 BCADHN CC[C@H](N)C(=O)Nc1cccc(-n2nccn2)c1 ZINC000877138711 590291430 /nfs/dbraw/zinc/29/14/30/590291430.db2.gz BPEFAOVDNHFAMG-NSHDSACASA-N 0 3 245.286 0.943 20 0 BCADHN CC(C)(N)C(=O)Nc1cccc(-n2nccn2)c1 ZINC000877139724 590291605 /nfs/dbraw/zinc/29/16/05/590291605.db2.gz XVWOOJZCPSQCTP-UHFFFAOYSA-N 0 3 245.286 0.943 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cccc(-n2nccn2)c1 ZINC000877140229 590291741 /nfs/dbraw/zinc/29/17/41/590291741.db2.gz BUBKCHFQYGXRTB-VIFPVBQESA-N 0 3 245.286 0.814 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877178350 590297091 /nfs/dbraw/zinc/29/70/91/590297091.db2.gz SYWADYJLBHWSFI-OKDNFBLISA-N 0 3 224.304 0.134 20 0 BCADHN [NH3+]CC12CCC(CC1)N2C(=O)c1cc(=O)[n-]cn1 ZINC000877184783 590298747 /nfs/dbraw/zinc/29/87/47/590298747.db2.gz RTSFZNHBPUSJMS-UHFFFAOYSA-N 0 3 248.286 0.278 20 0 BCADHN CCNCC(=O)N1C2CCC1(C(=O)OC)CC2 ZINC000877198818 590300074 /nfs/dbraw/zinc/30/00/74/590300074.db2.gz UMRHMBBGKOGQTF-UHFFFAOYSA-N 0 3 240.303 0.293 20 0 BCADHN Cc1sccc1NC(=O)[C@@H](N)CN(C)C ZINC000877197496 590300273 /nfs/dbraw/zinc/30/02/73/590300273.db2.gz SERLCRGYFWGNDW-QMMMGPOBSA-N 0 3 227.333 0.884 20 0 BCADHN N[C@@H](C(=O)NCc1ccnc(F)c1)C1CCC1 ZINC000877201107 590300501 /nfs/dbraw/zinc/30/05/01/590300501.db2.gz DAOUEALZPUSKDG-LLVKDONJSA-N 0 3 237.278 0.964 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1ccnc(F)c1 ZINC000877201826 590300712 /nfs/dbraw/zinc/30/07/12/590300712.db2.gz RLYNWNHJQMAJQF-SNVBAGLBSA-N 0 3 225.267 0.820 20 0 BCADHN CC[C@H](N)C(=O)N1CCOc2cc(N)ccc2C1 ZINC000877208759 590301122 /nfs/dbraw/zinc/30/11/22/590301122.db2.gz AFXPJRKNSMUBMX-NSHDSACASA-N 0 3 249.314 0.727 20 0 BCADHN C[C@@H](N)C(=O)NCc1noc2ccc(F)cc12 ZINC000877233167 590301581 /nfs/dbraw/zinc/30/15/81/590301581.db2.gz XAGXDLJAIXLURL-ZCFIWIBFSA-N 0 3 237.234 0.930 20 0 BCADHN NCC(=O)NC[C@H]1CCC12CCOCC2 ZINC000877240193 590302155 /nfs/dbraw/zinc/30/21/55/590302155.db2.gz RMKREFWKMFCPGZ-SECBINFHSA-N 0 3 212.293 0.268 20 0 BCADHN CCNCC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000877251692 590303422 /nfs/dbraw/zinc/30/34/22/590303422.db2.gz UFMINKZRPOSFJB-LLVKDONJSA-N 0 3 227.352 0.395 20 0 BCADHN CC1(C)C[C@H](O)CN(C(=O)C2(N)CCCC2)C1 ZINC000877251808 590303479 /nfs/dbraw/zinc/30/34/79/590303479.db2.gz UQJKIXDYNCBEIU-JTQLQIEISA-N 0 3 240.347 0.877 20 0 BCADHN NC1(C(=O)N2CC[C@H]3CSC[C@@H]3C2)CC1 ZINC000877248811 590303999 /nfs/dbraw/zinc/30/39/99/590303999.db2.gz FGEMUZNYCOGZGK-IUCAKERBSA-N 0 3 226.345 0.689 20 0 BCADHN NCC(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000877262025 590304573 /nfs/dbraw/zinc/30/45/73/590304573.db2.gz VERFXMCUPHGUBU-RNFRBKRXSA-N 0 3 222.210 0.958 20 0 BCADHN C[C@H](NC(=O)[C@H]1CCCCN1)c1ccnn1C ZINC000877263880 590304651 /nfs/dbraw/zinc/30/46/51/590304651.db2.gz FRMGNXDRUZXZOF-VHSXEESVSA-N 0 3 236.319 0.739 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)c1ccnn1C ZINC000877264788 590304919 /nfs/dbraw/zinc/30/49/19/590304919.db2.gz YTMFDRFYBGVHGS-KKZNHRDASA-N 0 3 238.335 0.971 20 0 BCADHN O=C(CNC1CC1)N1CCO[C@H](C(F)F)C1 ZINC000877298217 590308074 /nfs/dbraw/zinc/30/80/74/590308074.db2.gz CGBKHBYETOZEMA-QMMMGPOBSA-N 0 3 234.246 0.231 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877298394 590308583 /nfs/dbraw/zinc/30/85/83/590308583.db2.gz DNXXGJSMPMBBAP-HTQZYQBOSA-N 0 3 248.273 0.477 20 0 BCADHN O=C([C@@H]1CCCCN1)N1CCO[C@H](C(F)F)C1 ZINC000877301192 590309382 /nfs/dbraw/zinc/30/93/82/590309382.db2.gz PLPSBJFNFCYLTH-IUCAKERBSA-N 0 3 248.273 0.621 20 0 BCADHN CC(=O)C1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000877301807 590309704 /nfs/dbraw/zinc/30/97/04/590309704.db2.gz NHUXMBXZXLQRSN-LBPRGKRZSA-N 0 3 242.294 0.516 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC(C(C)=O)CC1 ZINC000877302208 590309997 /nfs/dbraw/zinc/30/99/97/590309997.db2.gz XKMSCSMVBXAAAI-SNVBAGLBSA-N 0 3 212.293 0.551 20 0 BCADHN CC(=O)C1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000877301938 590310250 /nfs/dbraw/zinc/31/02/50/590310250.db2.gz QUTGPNVMHBLZBN-NSHDSACASA-N 0 3 226.320 0.797 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877310853 590312013 /nfs/dbraw/zinc/31/20/13/590312013.db2.gz SQEDIWUXKBMTAF-MMWGEVLESA-N 0 3 226.320 0.798 20 0 BCADHN O=C(CNC1CC1)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877310657 590312410 /nfs/dbraw/zinc/31/24/10/590312410.db2.gz PPONDCSXFDTUQR-ADEWGFFLSA-N 0 3 238.331 0.812 20 0 BCADHN NC1(C(=O)NC[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000877311346 590313415 /nfs/dbraw/zinc/31/34/15/590313415.db2.gz VWDVQFOJVUEYOC-LPEHRKFASA-N 0 3 224.304 0.552 20 0 BCADHN CNCC(=O)NCc1cc(N)cc(F)c1 ZINC000877326317 590317427 /nfs/dbraw/zinc/31/74/27/590317427.db2.gz WVGDRAJCHLTWBD-UHFFFAOYSA-N 0 3 211.240 0.244 20 0 BCADHN CNCC(=O)N1CCC[C@@H](CCC(=O)OC)C1 ZINC000877381574 590320961 /nfs/dbraw/zinc/32/09/61/590320961.db2.gz JFIMNBIULQVLSM-JTQLQIEISA-N 0 3 242.319 0.398 20 0 BCADHN CNCC(=O)N1CCC[C@H](CCC(=O)OC)C1 ZINC000877381575 590321030 /nfs/dbraw/zinc/32/10/30/590321030.db2.gz JFIMNBIULQVLSM-SNVBAGLBSA-N 0 3 242.319 0.398 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)c1nccnc1C ZINC000877430780 590326210 /nfs/dbraw/zinc/32/62/10/590326210.db2.gz QYXCOTRNDWIIKS-VHSXEESVSA-N 0 3 236.319 0.960 20 0 BCADHN Cc1nccnc1[C@@H](C)NC(=O)C(C)(C)N ZINC000877431768 590326392 /nfs/dbraw/zinc/32/63/92/590326392.db2.gz LENUZJYLOOXZRN-MRVPVSSYSA-N 0 3 222.292 0.700 20 0 BCADHN Cc1nccnc1[C@H](C)NC(=O)[C@H]1NCC1(C)C ZINC000877431980 590326420 /nfs/dbraw/zinc/32/64/20/590326420.db2.gz QOQUXBOXODPKSL-GXSJLCMTSA-N 0 3 248.330 0.960 20 0 BCADHN COCC1(N(C)C(=O)CNC2CC2)CCC1 ZINC000877454318 590330009 /nfs/dbraw/zinc/33/00/09/590330009.db2.gz XHPRQUNXTMYTQL-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@H](N)C(=O)N(C)C1(COC)CCC1 ZINC000877453750 590330091 /nfs/dbraw/zinc/33/00/91/590330091.db2.gz GWMBYSDGJOTFKB-VIFPVBQESA-N 0 3 214.309 0.751 20 0 BCADHN O=c1ccc(CN2C[C@@H]3C[C@]3(CO)C2)c[nH]1 ZINC000877461831 590332534 /nfs/dbraw/zinc/33/25/34/590332534.db2.gz KNKMWLRYNDNRPE-CMPLNLGQSA-N 0 3 220.272 0.601 20 0 BCADHN CC1(CN[C@H]2CCCNC(=O)C2)OCCCO1 ZINC000877474969 590335694 /nfs/dbraw/zinc/33/56/94/590335694.db2.gz KLRXLYFQZVISCN-JTQLQIEISA-N 0 3 242.319 0.398 20 0 BCADHN O=S(=O)(CCNCCC[C@@H]1CCO1)C1CC1 ZINC000877591078 590367675 /nfs/dbraw/zinc/36/76/75/590367675.db2.gz OMVOBGVCAUYTAL-SNVBAGLBSA-N 0 3 247.360 0.722 20 0 BCADHN CCC[C@@H](CNCCS(=O)(=O)C1CC1)OC ZINC000877591260 590369221 /nfs/dbraw/zinc/36/92/21/590369221.db2.gz QPEQEPNHIYIMEP-JTQLQIEISA-N 0 3 249.376 0.968 20 0 BCADHN COC(=O)c1[nH]c(CN[C@@H]2CC[C@H]2O)cc1C ZINC000877599434 590370802 /nfs/dbraw/zinc/37/08/02/590370802.db2.gz ZNVOMHOTXATMGJ-NXEZZACHSA-N 0 3 238.287 0.723 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)[C@H]1CCCCO1 ZINC000877606537 590372029 /nfs/dbraw/zinc/37/20/29/590372029.db2.gz DNXLNQXZAXNZOA-GHMZBOCLSA-N 0 3 244.335 0.944 20 0 BCADHN CCN(OC)C(=O)CN[C@@H](C)[C@@H]1CCCO1 ZINC000877606759 590372101 /nfs/dbraw/zinc/37/21/01/590372101.db2.gz KGARBNWANQQVGL-UWVGGRQHSA-N 0 3 230.308 0.553 20 0 BCADHN C[C@H](O)C1(NCc2cnc3c(cnn3C)c2)CC1 ZINC000877637795 590381878 /nfs/dbraw/zinc/38/18/78/590381878.db2.gz MMCYVTKOERXQQQ-VIFPVBQESA-N 0 3 246.314 0.971 20 0 BCADHN CO[C@](C)(CN1CCCN(C=O)CC1)C1CC1 ZINC000877642634 590382856 /nfs/dbraw/zinc/38/28/56/590382856.db2.gz OZSUCNIBLDPYQS-CYBMUJFWSA-N 0 3 240.347 0.966 20 0 BCADHN O=CN1CCCN(CCC[C@@H]2CCO2)CC1 ZINC000877641898 590383022 /nfs/dbraw/zinc/38/30/22/590383022.db2.gz KGHCSRFWAYTAJN-GFCCVEGCSA-N 0 3 226.320 0.720 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CS[C@H](C)C1 ZINC000877660334 590386532 /nfs/dbraw/zinc/38/65/32/590386532.db2.gz LUGWEOPQOGNUMH-IWSPIJDZSA-N 0 3 232.349 0.878 20 0 BCADHN CO[C@H](CN[C@@H](C)C(=O)N(C)OC)C1CC1 ZINC000877661294 590386566 /nfs/dbraw/zinc/38/65/66/590386566.db2.gz YPWKXDRHTADQSG-WCBMZHEXSA-N 0 3 230.308 0.409 20 0 BCADHN CON(C)C(=O)[C@@H](C)NCCC[C@H]1CCO1 ZINC000877661123 590387212 /nfs/dbraw/zinc/38/72/12/590387212.db2.gz VYOOXIFEHUFTKV-ZJUUUORDSA-N 0 3 230.308 0.553 20 0 BCADHN c1cc(N2CC(NC[C@@H]3CCC=CO3)C2)ncn1 ZINC000877702115 590396722 /nfs/dbraw/zinc/39/67/22/590396722.db2.gz JWWVGRXPPNMUGI-LBPRGKRZSA-N 0 3 246.314 0.948 20 0 BCADHN CN1C(=O)[C@H]2CN(CC3(F)CC3)C[C@H]2C1=O ZINC000877719826 590401140 /nfs/dbraw/zinc/40/11/40/590401140.db2.gz IVOWJPAPZRIORG-OCAPTIKFSA-N 0 3 226.251 0.035 20 0 BCADHN COC(=O)[C@]12C[C@H]1C[C@H](NCc1cncn1C)C2 ZINC000877722804 590401834 /nfs/dbraw/zinc/40/18/34/590401834.db2.gz KNFWOQISGLXRBQ-NRUUGDAUSA-N 0 3 249.314 0.851 20 0 BCADHN Cc1cn[nH]c1CN1CCC2(CCNC2=O)CC1 ZINC000877782691 590424240 /nfs/dbraw/zinc/42/42/40/590424240.db2.gz JQYPTRBCDPEWIE-UHFFFAOYSA-N 0 3 248.330 0.820 20 0 BCADHN C[C@@H](CN(C)CCS(N)(=O)=O)C(C)(C)C ZINC000877826038 590428000 /nfs/dbraw/zinc/42/80/00/590428000.db2.gz NGJZXUSJPZSOKI-VIFPVBQESA-N 0 3 236.381 0.889 20 0 BCADHN CCC[C@@H](C)CN(C)CCS(N)(=O)=O ZINC000877827241 590429640 /nfs/dbraw/zinc/42/96/40/590429640.db2.gz QGEDCYUGLBXHFI-SECBINFHSA-N 0 3 222.354 0.643 20 0 BCADHN C[C@@H](CN1C(=O)N[C@](C)(C2CC2)C1=O)N(C)C ZINC000877875412 590435065 /nfs/dbraw/zinc/43/50/65/590435065.db2.gz UZZSSLJNIOUQIJ-QPUJVOFHSA-N 0 3 239.319 0.657 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000877894917 590441770 /nfs/dbraw/zinc/44/17/70/590441770.db2.gz GISUJHHQRDYGGV-BETUJISGSA-N 0 3 240.347 0.966 20 0 BCADHN CN(CCOc1ccccc1)CCn1cnnn1 ZINC000877931385 590450316 /nfs/dbraw/zinc/45/03/16/590450316.db2.gz NXUMNDWTJTZLHK-UHFFFAOYSA-N 0 3 247.302 0.684 20 0 BCADHN CC1CCN(CCc2nnnn2C)CC1 ZINC000877934260 590450750 /nfs/dbraw/zinc/45/07/50/590450750.db2.gz AFBHJORDQKWHQN-UHFFFAOYSA-N 0 3 209.297 0.485 20 0 BCADHN O[C@H](CN1CCC[C@@H](O)C1)CC1(O)CCCC1 ZINC000877934434 590451022 /nfs/dbraw/zinc/45/10/22/590451022.db2.gz BVNICHLHDMPMRV-NEPJUHHUSA-N 0 3 243.347 0.499 20 0 BCADHN O[C@@H](CN1CCC(O)CC1)CC1(O)CCCC1 ZINC000877944863 590454148 /nfs/dbraw/zinc/45/41/48/590454148.db2.gz UUWLVTKGGZVBEH-GFCCVEGCSA-N 0 3 243.347 0.499 20 0 BCADHN CC(C)[C@@H](O)CCN1CCCN(C(N)=O)CC1 ZINC000878036592 590477531 /nfs/dbraw/zinc/47/75/31/590477531.db2.gz NYNLUZRFTABXIY-NSHDSACASA-N 0 3 243.351 0.480 20 0 BCADHN CO[C@H]1CCCN(C[C@@H](O)CC(C)(C)O)C1 ZINC000878047075 590481646 /nfs/dbraw/zinc/48/16/46/590481646.db2.gz OBQLKKMHJADVJN-QWRGUYRKSA-N 0 3 231.336 0.619 20 0 BCADHN CN(CCn1cnnn1)[C@@H](CO)c1ccccc1 ZINC000878048941 590481715 /nfs/dbraw/zinc/48/17/15/590481715.db2.gz TUZCBMNGZGGQML-LBPRGKRZSA-N 0 3 247.302 0.339 20 0 BCADHN O[C@H]1CCN(C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000878053873 590483857 /nfs/dbraw/zinc/48/38/57/590483857.db2.gz SMCMPDXWBVPINB-NWDGAFQWSA-N 0 3 241.331 0.781 20 0 BCADHN COCCN(C[C@H]1C[C@@H](OC)C1)[C@H](C)C(N)=O ZINC000878079926 590488334 /nfs/dbraw/zinc/48/83/34/590488334.db2.gz PHCQJXBUAKFMGE-MXWKQRLJSA-N 0 3 244.335 0.234 20 0 BCADHN OCCCN(CCO)C[C@H]1CC2(CCC2)CO1 ZINC000878094296 590489069 /nfs/dbraw/zinc/48/90/69/590489069.db2.gz IKCHFZAJLCLOGU-GFCCVEGCSA-N 0 3 243.347 0.622 20 0 BCADHN CN(C[C@@H](O)CC(C)(C)O)[C@H]1CCOC1 ZINC000878085390 590489711 /nfs/dbraw/zinc/48/97/11/590489711.db2.gz RHSKKPHUCUEWSP-UWVGGRQHSA-N 0 3 217.309 0.229 20 0 BCADHN CN(C[C@H](O)CC(C)(C)O)[C@@H]1CCOC1 ZINC000878085384 590490233 /nfs/dbraw/zinc/49/02/33/590490233.db2.gz RHSKKPHUCUEWSP-NXEZZACHSA-N 0 3 217.309 0.229 20 0 BCADHN CCOC[C@H]1CCCN(CCn2cnnn2)C1 ZINC000878106209 590494822 /nfs/dbraw/zinc/49/48/22/590494822.db2.gz FLSOELXXDIYWTR-NSHDSACASA-N 0 3 239.323 0.422 20 0 BCADHN C[C@@H]1SCCN(CCn2cnnn2)[C@H]1C ZINC000878114537 590497734 /nfs/dbraw/zinc/49/77/34/590497734.db2.gz LHTNHCKDFCIMTI-IUCAKERBSA-N 0 3 227.337 0.499 20 0 BCADHN C[C@H](O)CN(C)C[C@H](O)CC1(O)CCCC1 ZINC000878130380 590503048 /nfs/dbraw/zinc/50/30/48/590503048.db2.gz WLSHWXUIKCWDFJ-WDEREUQCSA-N 0 3 231.336 0.355 20 0 BCADHN O[C@@H]1C[C@H](O)CN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878156944 590508765 /nfs/dbraw/zinc/50/87/65/590508765.db2.gz ZODUPGAASBBERS-TUAOUCFPSA-N 0 3 241.331 0.516 20 0 BCADHN COC(=O)[C@]1(F)CCN(C[C@@H]2CCO[C@@H]2C)C1 ZINC000878155516 590509118 /nfs/dbraw/zinc/50/91/18/590509118.db2.gz HUFXURVGFRTTLG-SCVCMEIPSA-N 0 3 245.294 0.998 20 0 BCADHN CC(C)[C@H](O)CCN1CCC(NC(N)=O)CC1 ZINC000878173594 590515497 /nfs/dbraw/zinc/51/54/97/590515497.db2.gz ZHARYAINSAIPDE-LLVKDONJSA-N 0 3 243.351 0.526 20 0 BCADHN CN(CCOCC1CC1)CCn1cnnn1 ZINC000878186102 590518884 /nfs/dbraw/zinc/51/88/84/590518884.db2.gz NQWRDRMRYOFOPE-UHFFFAOYSA-N 0 3 225.296 0.032 20 0 BCADHN c1nnnn1CCN1CCC[C@@H]2COCC[C@@H]21 ZINC000878185055 590519063 /nfs/dbraw/zinc/51/90/63/590519063.db2.gz FHCRUTHTBOWDHC-MNOVXSKESA-N 0 3 237.307 0.174 20 0 BCADHN Cn1nnnc1CCN1CCC[C@@H]1c1ccc[nH]1 ZINC000878214019 590525045 /nfs/dbraw/zinc/52/50/45/590525045.db2.gz QEAUDGYDGJEHJN-LLVKDONJSA-N 0 3 246.318 0.918 20 0 BCADHN CSCC[C@@H](C)N(C)CCn1cnnn1 ZINC000878249908 590529606 /nfs/dbraw/zinc/52/96/06/590529606.db2.gz AUZQNGSEEAQOCE-SECBINFHSA-N 0 3 229.353 0.747 20 0 BCADHN C[C@@H]1COCCN(CCc2cnccn2)C1 ZINC000878298814 590537115 /nfs/dbraw/zinc/53/71/15/590537115.db2.gz MOKWVYPHGALGMA-NSHDSACASA-N 0 3 221.304 0.987 20 0 BCADHN C[C@H]1COCCN(C[C@H]2CCc3ncnn32)C1 ZINC000878298554 590537182 /nfs/dbraw/zinc/53/71/82/590537182.db2.gz JBRNIJMAUFWHLK-GHMZBOCLSA-N 0 3 236.319 0.734 20 0 BCADHN CN(CCCOC(F)(F)F)[C@@H]1CCNC1=O ZINC000878307587 590540160 /nfs/dbraw/zinc/54/01/60/590540160.db2.gz QUOXPCUVQCKKBH-SSDOTTSWSA-N 0 3 240.225 0.733 20 0 BCADHN CC(C)[C@@H](O)CCN1CCNC(=O)C[C@H]1C ZINC000878317357 590542744 /nfs/dbraw/zinc/54/27/44/590542744.db2.gz PTBAYMXPYVZFLO-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)[C@H](O)CCN1CCNC(=O)C[C@H]1C ZINC000878317356 590542993 /nfs/dbraw/zinc/54/29/93/590542993.db2.gz PTBAYMXPYVZFLO-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN CCN(C#N)CCN1CCN(C)[C@H](C)C1 ZINC000878316705 590543026 /nfs/dbraw/zinc/54/30/26/590543026.db2.gz MAWMFYAQBGSNHU-LLVKDONJSA-N 0 3 210.325 0.425 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@@H](O)C[C@@H]1C ZINC000878319505 590543771 /nfs/dbraw/zinc/54/37/71/590543771.db2.gz URLGUNOQMAHOMP-DCAQKATOSA-N 0 3 217.309 0.227 20 0 BCADHN C=C/C=C/CCN1CC[C@H](NC(N)=O)C1 ZINC000878326441 590546651 /nfs/dbraw/zinc/54/66/51/590546651.db2.gz VBWJKUBNTQJCTL-FSIBCCDJSA-N 0 3 209.293 0.861 20 0 BCADHN CC(C)[C@H](O)CCN(C)CCNC(=O)N(C)C ZINC000878336588 590549050 /nfs/dbraw/zinc/54/90/50/590549050.db2.gz KGSPAJZJJNSNHA-LLVKDONJSA-N 0 3 245.367 0.596 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC2(O)CCCC2)C[C@H]1O ZINC000878335354 590549698 /nfs/dbraw/zinc/54/96/98/590549698.db2.gz LRVUCMJZOGOCCN-GRYCIOLGSA-N 0 3 243.347 0.355 20 0 BCADHN CCOCCN(C)C[C@H](O)CC(C)(C)O ZINC000878341283 590551886 /nfs/dbraw/zinc/55/18/86/590551886.db2.gz VBRICFYWAVWZPO-SNVBAGLBSA-N 0 3 219.325 0.477 20 0 BCADHN CC[C@H](C)[C@@H](C)NCc1nnc2c(=O)[nH]ccn12 ZINC000878366408 590554979 /nfs/dbraw/zinc/55/49/79/590554979.db2.gz NIQILVZPWIXRDA-DTWKUNHWSA-N 0 3 249.318 0.942 20 0 BCADHN CC(C)[C@H](O)CCNC1(C(N)=O)CC1 ZINC000878386158 590559010 /nfs/dbraw/zinc/55/90/10/590559010.db2.gz WUTJJYDALJHQCM-MRVPVSSYSA-N 0 3 200.282 0.001 20 0 BCADHN CCN(C#N)CCN[C@@H](CC(=O)OC)C1CC1 ZINC000878415105 590563076 /nfs/dbraw/zinc/56/30/76/590563076.db2.gz VNHHPSSNZZTOMD-NSHDSACASA-N 0 3 239.319 0.721 20 0 BCADHN O=C(CN[C@@H](CO)C1CC1)Nc1ccccn1 ZINC000878419335 590564294 /nfs/dbraw/zinc/56/42/94/590564294.db2.gz GYCHJRXVTIWHLM-JTQLQIEISA-N 0 3 235.287 0.381 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCO[C@]3(CCOC3)C2)C1 ZINC000878441351 590568126 /nfs/dbraw/zinc/56/81/26/590568126.db2.gz SKMNXDAQOQZMFJ-FRRDWIJNSA-N 0 3 241.331 0.903 20 0 BCADHN c1nnnn1CCN1CCCC2(CC2)C1 ZINC000878444451 590568231 /nfs/dbraw/zinc/56/82/31/590568231.db2.gz FNESWAQYXBAOGR-UHFFFAOYSA-N 0 3 207.281 0.549 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878442397 590568479 /nfs/dbraw/zinc/56/84/79/590568479.db2.gz MVYSMAFZHRJTHL-IEECTRCBSA-N 0 3 241.331 0.372 20 0 BCADHN COCC1=CCN(C[C@H](O)CC(C)(C)O)CC1 ZINC000878454902 590570999 /nfs/dbraw/zinc/57/09/99/590570999.db2.gz KPFWDUAICQJFBV-GFCCVEGCSA-N 0 3 243.347 0.787 20 0 BCADHN CO[C@@H]1CN(C[C@H](O)CC(C)(C)O)CC[C@H]1C ZINC000878482918 590577455 /nfs/dbraw/zinc/57/74/55/590577455.db2.gz BINHXNCZEOUTIT-IJLUTSLNSA-N 0 3 245.363 0.865 20 0 BCADHN C[C@H]1CSCCN(CCn2cnnn2)C1 ZINC000878508440 590582994 /nfs/dbraw/zinc/58/29/94/590582994.db2.gz UQORFVYODRMSNI-SECBINFHSA-N 0 3 227.337 0.358 20 0 BCADHN C=C/C=C\CCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000878530419 590587574 /nfs/dbraw/zinc/58/75/74/590587574.db2.gz UOXOIZUHRIOWMD-SCOBNMCVSA-N 0 3 249.314 0.793 20 0 BCADHN CC(C)(O)C[C@H](O)CN1C[C@H](O)C(C)(C)C1 ZINC000878532107 590587584 /nfs/dbraw/zinc/58/75/84/590587584.db2.gz PGSMCUHVBNJOKJ-UWVGGRQHSA-N 0 3 231.336 0.211 20 0 BCADHN CN1CCN(C[C@@H](O)CC(C)(C)O)CC1(C)C ZINC000878551030 590590804 /nfs/dbraw/zinc/59/08/04/590590804.db2.gz JVKYASYRZGGHLS-NSHDSACASA-N 0 3 244.379 0.534 20 0 BCADHN c1nnnn1CCN1CC[C@H](c2ccccn2)C1 ZINC000878554032 590591173 /nfs/dbraw/zinc/59/11/73/590591173.db2.gz VZHJXQPTJFPMRF-NSHDSACASA-N 0 3 244.302 0.558 20 0 BCADHN CC(C)[C@H](O)CCN(C)CCOCCO ZINC000878560326 590591828 /nfs/dbraw/zinc/59/18/28/590591828.db2.gz GRDBYBFLTXUKCZ-LLVKDONJSA-N 0 3 219.325 0.334 20 0 BCADHN CN(CCCO)C[C@@H](O)CC1(O)CCCC1 ZINC000878555772 590592119 /nfs/dbraw/zinc/59/21/19/590592119.db2.gz GJIFWXAEYLUGHD-NSHDSACASA-N 0 3 231.336 0.357 20 0 BCADHN C[C@@H](CO)N(C)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000878568328 590592579 /nfs/dbraw/zinc/59/25/79/590592579.db2.gz YNNWDZQQQLTDGJ-DLOVCJGASA-N 0 3 231.336 0.211 20 0 BCADHN CO[C@H](C)CN(C)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000878613455 590596682 /nfs/dbraw/zinc/59/66/82/590596682.db2.gz OCDYFZPRJLKVDR-KGYLQXTDSA-N 0 3 245.363 0.865 20 0 BCADHN CC(C)[C@H](O)CCN1CCCN(C=O)CC1 ZINC000878638784 590599269 /nfs/dbraw/zinc/59/92/69/590599269.db2.gz WXGWLVGFKGFALN-GFCCVEGCSA-N 0 3 228.336 0.558 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCc3cncn3C)C[C@@H]21 ZINC000878641604 590599583 /nfs/dbraw/zinc/59/95/83/590599583.db2.gz VJOFFHCEXYGERM-GDNZZTSVSA-N 0 3 249.314 0.313 20 0 BCADHN c1nnnn1CCN1CCC(C2CC2)CC1 ZINC000878640258 590599943 /nfs/dbraw/zinc/59/99/43/590599943.db2.gz GHSKREKNCVBRQZ-UHFFFAOYSA-N 0 3 221.308 0.795 20 0 BCADHN CO[C@@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000878679055 590608635 /nfs/dbraw/zinc/60/86/35/590608635.db2.gz RDEBLOUOWSUMEP-NXEZZACHSA-N 0 3 225.296 0.030 20 0 BCADHN CO[C@H]1CCN(CCc2nnnn2C)C[C@@H]1C ZINC000878679335 590608813 /nfs/dbraw/zinc/60/88/13/590608813.db2.gz ZSFSLLIEUKNRNU-UWVGGRQHSA-N 0 3 239.323 0.109 20 0 BCADHN CN(CCn1cnnn1)[C@@H](CO)CC(C)(C)C ZINC000878682872 590609150 /nfs/dbraw/zinc/60/91/50/590609150.db2.gz PCRJVAJYNLWYJS-SNVBAGLBSA-N 0 3 241.339 0.402 20 0 BCADHN CON1CCN(C[C@@H]2CCO[C@@H]2C)CC1 ZINC000878686162 590610035 /nfs/dbraw/zinc/61/00/35/590610035.db2.gz ULLAKOWBFKODGU-MNOVXSKESA-N 0 3 214.309 0.590 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878705829 590612622 /nfs/dbraw/zinc/61/26/22/590612622.db2.gz JVPYJDBVUCDOJW-JZRPKSSGSA-N 0 3 241.331 0.947 20 0 BCADHN CC(C)OC(=O)CCN1CC[C@H](O)[C@H](CO)C1 ZINC000878714174 590614403 /nfs/dbraw/zinc/61/44/03/590614403.db2.gz JWEUJRYHRUQYMX-QWRGUYRKSA-N 0 3 245.319 0.003 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1C[C@@H](O)CC(C)(C)O ZINC000878722427 590616920 /nfs/dbraw/zinc/61/69/20/590616920.db2.gz UMUKZRSSILQXAO-VWYCJHECSA-N 0 3 231.336 0.354 20 0 BCADHN CC1(C(N)=O)CN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000878757566 590618402 /nfs/dbraw/zinc/61/84/02/590618402.db2.gz PBPNAVLIOPPXNT-GARJFASQSA-N 0 3 238.331 0.751 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878761295 590619268 /nfs/dbraw/zinc/61/92/68/590619268.db2.gz JVPYJDBVUCDOJW-NZEXEKPDSA-N 0 3 241.331 0.947 20 0 BCADHN O=C(COC1CC1)N[C@H]1CCN(CC2CC2)C1 ZINC000878780560 590621300 /nfs/dbraw/zinc/62/13/00/590621300.db2.gz UJCBASNONGCDRN-NSHDSACASA-N 0 3 238.331 0.766 20 0 BCADHN CC(C)O[C@@H]1CCCN(CCn2cnnn2)C1 ZINC000878805108 590625574 /nfs/dbraw/zinc/62/55/74/590625574.db2.gz ZKNKKXXVKWZZRP-LLVKDONJSA-N 0 3 239.323 0.563 20 0 BCADHN FC1(F)C[C@]12CCCN(CCn1cnnn1)C2 ZINC000878810819 590626403 /nfs/dbraw/zinc/62/64/03/590626403.db2.gz FOFDOASXKIFCPD-VIFPVBQESA-N 0 3 243.261 0.794 20 0 BCADHN C[C@@]12COC[C@]1(C)CN(CCn1cnnn1)C2 ZINC000878919105 590652383 /nfs/dbraw/zinc/65/23/83/590652383.db2.gz AVIRBDOPLZJGDB-PHIMTYICSA-N 0 3 237.307 0.032 20 0 BCADHN Cn1nnnc1CCN1CCC[C@@H](CCF)C1 ZINC000878949144 590654171 /nfs/dbraw/zinc/65/41/71/590654171.db2.gz JFODDDBPXUGGHG-JTQLQIEISA-N 0 3 241.314 0.824 20 0 BCADHN CC(C)[C@H](O)CCN1CCC(=O)N(C)CC1 ZINC000878934287 590655096 /nfs/dbraw/zinc/65/50/96/590655096.db2.gz YRUKSNLVYXRNPR-LLVKDONJSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)COC1CC1 ZINC000878947757 590659423 /nfs/dbraw/zinc/65/94/23/590659423.db2.gz STOIUCKMGRHEEF-PWSUYJOCSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@@H](NCc1nnc2c(=O)[nH]ccn12)C1CC1 ZINC000878951173 590659938 /nfs/dbraw/zinc/65/99/38/590659938.db2.gz FLWAKXPAFIQEML-SECBINFHSA-N 0 3 247.302 0.696 20 0 BCADHN C[C@@H]1CCN(CCn2cnnn2)C[C@H](C)O1 ZINC000878954088 590660929 /nfs/dbraw/zinc/66/09/29/590660929.db2.gz QUBJRLMQPGCTGA-ZJUUUORDSA-N 0 3 225.296 0.172 20 0 BCADHN C[C@]1(CO)C[C@@H](O)CN1CCOC(F)F ZINC000878980474 590665989 /nfs/dbraw/zinc/66/59/89/590665989.db2.gz APFFAMRAWVPYIL-VXNVDRBHSA-N 0 3 225.235 0.043 20 0 BCADHN CCC[C@H](O)CN1CCC([C@H](F)C(N)=O)CC1 ZINC000879045013 590685043 /nfs/dbraw/zinc/68/50/43/590685043.db2.gz UWLXTKDDMVISTB-QWRGUYRKSA-N 0 3 246.326 0.683 20 0 BCADHN CC1(CN2CCC([C@H](F)C(N)=O)CC2)COC1 ZINC000879041944 590685143 /nfs/dbraw/zinc/68/51/43/590685143.db2.gz UFSMUCKPIDOAEO-JTQLQIEISA-N 0 3 244.310 0.558 20 0 BCADHN NC(=O)[C@H](F)C1CCN(C[C@H](O)C2CC2)CC1 ZINC000879043128 590685212 /nfs/dbraw/zinc/68/52/12/590685212.db2.gz FESLPRNCZSYOBF-WDEREUQCSA-N 0 3 244.310 0.293 20 0 BCADHN CC[C@H](O)CN1CCC([C@H](F)C(N)=O)CC1 ZINC000879044152 590685553 /nfs/dbraw/zinc/68/55/53/590685553.db2.gz PXLHYHOKFFBTGF-UWVGGRQHSA-N 0 3 232.299 0.293 20 0 BCADHN COC[C@H](C)N1CCC([C@@H](F)C(N)=O)CC1 ZINC000879041890 590685681 /nfs/dbraw/zinc/68/56/81/590685681.db2.gz TVLJUUPVPGCONL-WCBMZHEXSA-N 0 3 232.299 0.557 20 0 BCADHN COC(=O)CCN1CCC([C@H](F)C(N)=O)CC1 ZINC000879050280 590687049 /nfs/dbraw/zinc/68/70/49/590687049.db2.gz NXJALLPVXYRYBB-JTQLQIEISA-N 0 3 246.282 0.085 20 0 BCADHN C[C@H](NCCc1nnnn1C)c1ccns1 ZINC000879061321 590688789 /nfs/dbraw/zinc/68/87/89/590688789.db2.gz BBYQAUWHTGNDDU-ZETCQYMHSA-N 0 3 238.320 0.560 20 0 BCADHN COCCN(CC(C)=O)CC1CCN(C)CC1 ZINC000879125668 590699304 /nfs/dbraw/zinc/69/93/04/590699304.db2.gz FVJLBNFQQJEJEG-UHFFFAOYSA-N 0 3 242.363 0.866 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)COC1CC1 ZINC000879143248 590702436 /nfs/dbraw/zinc/70/24/36/590702436.db2.gz DUMSTPMORLCDCS-CABZTGNLSA-N 0 3 238.331 0.764 20 0 BCADHN NC(=O)Cc1cccc2c1CCN(CCCO)C2 ZINC000879227974 590717872 /nfs/dbraw/zinc/71/78/72/590717872.db2.gz BCOGJGNFCAYRAA-UHFFFAOYSA-N 0 3 248.326 0.455 20 0 BCADHN Cc1ncc([C@H](C)NCCn2cnnn2)s1 ZINC000879253330 590721351 /nfs/dbraw/zinc/72/13/51/590721351.db2.gz SODQUUUOAIKXAK-ZETCQYMHSA-N 0 3 238.320 0.789 20 0 BCADHN CO[C@@H]1CN(CCOC(F)F)[C@](C)(CO)C1 ZINC000879261641 590723965 /nfs/dbraw/zinc/72/39/65/590723965.db2.gz NUBIMJYHKVHTGY-WPRPVWTQSA-N 0 3 239.262 0.697 20 0 BCADHN CC[C@@]1(O)CCCN(C[C@H]2CCC(=O)O2)C1 ZINC000879313347 590736757 /nfs/dbraw/zinc/73/67/57/590736757.db2.gz IYTYZPSDDYTXLM-ZYHUDNBSSA-N 0 3 227.304 0.929 20 0 BCADHN CO[C@@H]1CC[C@H](C)N(CCn2cncn2)C1 ZINC000879321478 590742181 /nfs/dbraw/zinc/74/21/81/590742181.db2.gz QDYYXGKXOZSWPM-WDEREUQCSA-N 0 3 224.308 0.777 20 0 BCADHN CNC(=O)NC[C@@H]1CCCCN1C[C@@H](C)O ZINC000879334728 590749427 /nfs/dbraw/zinc/74/94/27/590749427.db2.gz MPHPLARJTUTVSW-ZJUUUORDSA-N 0 3 229.324 0.151 20 0 BCADHN CNC(=O)NC[C@@H]1CCCCN1CCCOC ZINC000879333766 590749929 /nfs/dbraw/zinc/74/99/29/590749929.db2.gz FRMDKPWTVAVLIW-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN COC(=O)C1=NO[C@]2(CCN(CCCF)C2)C1 ZINC000879483462 590778807 /nfs/dbraw/zinc/77/88/07/590778807.db2.gz LMYJLWNUPFRBAS-LLVKDONJSA-N 0 3 244.266 0.740 20 0 BCADHN NC(=O)[C@H](C1CC1)N(CCCO)CC1CC1 ZINC000879491082 590781685 /nfs/dbraw/zinc/78/16/85/590781685.db2.gz CPALZSXULSMCPN-NSHDSACASA-N 0 3 226.320 0.345 20 0 BCADHN CN(C)C(=O)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879555440 590796281 /nfs/dbraw/zinc/79/62/81/590796281.db2.gz NTHXNXIUCPVSRQ-ZJUUUORDSA-N 0 3 228.361 0.760 20 0 BCADHN CCNC(=O)CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879555159 590798801 /nfs/dbraw/zinc/79/88/01/590798801.db2.gz KPAZBRIRTSANRA-UWVGGRQHSA-N 0 3 228.361 0.807 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@@H]2CSC[C@H]2C1 ZINC000879562187 590802036 /nfs/dbraw/zinc/80/20/36/590802036.db2.gz BMWKEIHVGQWZNS-MXWKQRLJSA-N 0 3 240.372 0.950 20 0 BCADHN COC(=O)[C@@](C)(O)CN1C[C@H](O)CC(C)(C)C1 ZINC000879624199 590825636 /nfs/dbraw/zinc/82/56/36/590825636.db2.gz OLXSEQQOBCWIGQ-SKDRFNHKSA-N 0 3 245.319 0.003 20 0 BCADHN CC(C)[C@H]1CN(CC2OCCO2)CCN1C ZINC000879600457 590826155 /nfs/dbraw/zinc/82/61/55/590826155.db2.gz FHMWRFKMQCARTO-LLVKDONJSA-N 0 3 228.336 0.631 20 0 BCADHN CC(C)CC[C@@H](O)CN1CC[C@@H](O)[C@@H](O)C1 ZINC000879609494 590827679 /nfs/dbraw/zinc/82/76/79/590827679.db2.gz YAASUCLMLSUJMG-UTUOFQBUSA-N 0 3 231.336 0.211 20 0 BCADHN CC1(C)CC[C@@H](CN2CC[C@@H](O)[C@@H](O)C2)OC1 ZINC000879608778 590828273 /nfs/dbraw/zinc/82/82/73/590828273.db2.gz ZYVVIAPBOXNMSR-TUAOUCFPSA-N 0 3 243.347 0.619 20 0 BCADHN COCCOCCN1C[C@@H](O)CC(C)(C)C1 ZINC000879619844 590834749 /nfs/dbraw/zinc/83/47/49/590834749.db2.gz DEAVMJLSAHVNNH-NSHDSACASA-N 0 3 231.336 0.742 20 0 BCADHN COC(CN1C[C@H](O)CC(C)(C)C1)OC ZINC000879621870 590835898 /nfs/dbraw/zinc/83/58/98/590835898.db2.gz GCDZRMGBBCKHFQ-SECBINFHSA-N 0 3 217.309 0.698 20 0 BCADHN CCN1CC[C@H](N2C[C@@H](O)CC(C)(C)C2)C1=O ZINC000879623879 590838413 /nfs/dbraw/zinc/83/84/13/590838413.db2.gz IDMZIMXURRTEEE-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1C[C@@H](O)CC(C)(C)C1 ZINC000879625462 590840328 /nfs/dbraw/zinc/84/03/28/590840328.db2.gz WLGUXAAOMTZGBM-WDEREUQCSA-N 0 3 245.363 0.601 20 0 BCADHN C[C@@H](NCC[C@H]1CCNC1=O)c1ccnn1C ZINC000879686365 590848200 /nfs/dbraw/zinc/84/82/00/590848200.db2.gz BMNOXOMUEBXFLN-ZJUUUORDSA-N 0 3 236.319 0.597 20 0 BCADHN C[C@@H](c1ccccn1)N1C[C@H](CO)[C@H](CO)C1 ZINC000879696999 590851201 /nfs/dbraw/zinc/85/12/01/590851201.db2.gz WXRZZDUFTZMUJI-SDDRHHMPSA-N 0 3 236.315 0.675 20 0 BCADHN CC(C)C(=O)CCN1C[C@H](CO)[C@H](CO)C1 ZINC000879695435 590851283 /nfs/dbraw/zinc/85/12/83/590851283.db2.gz KNOWHRVCVBODAR-PHIMTYICSA-N 0 3 229.320 0.134 20 0 BCADHN CO[N-]C(=O)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000879923229 590889141 /nfs/dbraw/zinc/88/91/41/590889141.db2.gz UHXCXZNNPWJRPO-NSHDSACASA-N 0 3 242.319 0.555 20 0 BCADHN CONC(=O)C1CCN(C[C@@H]2CCCO2)CC1 ZINC000879923229 590889144 /nfs/dbraw/zinc/88/91/44/590889144.db2.gz UHXCXZNNPWJRPO-NSHDSACASA-N 0 3 242.319 0.555 20 0 BCADHN CC(C)(O)[C@H]1CCCN(Cc2c[nH]nn2)C1 ZINC000879964468 590899980 /nfs/dbraw/zinc/89/99/80/590899980.db2.gz YQVPQYVSJRAQEE-VIFPVBQESA-N 0 3 224.308 0.788 20 0 BCADHN C[C@H]1CC[C@H](CN2CCC(CO)(CO)CC2)O1 ZINC000879971280 590901282 /nfs/dbraw/zinc/90/12/82/590901282.db2.gz OTUOJDHFXMNEGD-NWDGAFQWSA-N 0 3 243.347 0.621 20 0 BCADHN COC(=O)CC[C@H]1CCCN([C@@H](C)C(N)=O)C1 ZINC000880038488 590913193 /nfs/dbraw/zinc/91/31/93/590913193.db2.gz YJJDEBOJTCFGOP-VHSXEESVSA-N 0 3 242.319 0.525 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2Cc1nccc(N)n1 ZINC000880137676 590939646 /nfs/dbraw/zinc/93/96/46/590939646.db2.gz IRPGKVHWHCVXBI-WDEREUQCSA-N 0 3 247.346 0.727 20 0 BCADHN CC(C)(O)[C@@H]1CCN(Cc2c[nH]nn2)C1 ZINC000880149223 590946240 /nfs/dbraw/zinc/94/62/40/590946240.db2.gz YAHFGCRDNOENED-MRVPVSSYSA-N 0 3 210.281 0.398 20 0 BCADHN C[C@H](O)CCCN1CCNC(=O)CC12CCC2 ZINC000880167919 590948908 /nfs/dbraw/zinc/94/89/08/590948908.db2.gz ULOQNCGRHQYIEL-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN C[C@H](O)CCN1CCNC(=O)CC12CCC2 ZINC000880166630 590949120 /nfs/dbraw/zinc/94/91/20/590949120.db2.gz HQKXNKXQNHSDPG-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN O=C1CNC(=O)N1CCN1CCC[C@@H](CF)C1 ZINC000880232583 590962746 /nfs/dbraw/zinc/96/27/46/590962746.db2.gz NXHUXBBNHYTTQD-VIFPVBQESA-N 0 3 243.282 0.220 20 0 BCADHN O=C1CC[C@@H](N2CCC[C@H](CF)C2)C(=O)N1 ZINC000880237304 590968485 /nfs/dbraw/zinc/96/84/85/590968485.db2.gz UWJWZZBZVFZFND-RKDXNWHRSA-N 0 3 228.267 0.473 20 0 BCADHN O=C1NCCN1CCN1CCC[C@@H](CF)C1 ZINC000880238089 590969855 /nfs/dbraw/zinc/96/98/55/590969855.db2.gz OKYQBTVVHKRZMF-JTQLQIEISA-N 0 3 229.299 0.693 20 0 BCADHN CNC(=O)NC(=O)CCN1CCC(F)CC1 ZINC000880240473 590973531 /nfs/dbraw/zinc/97/35/31/590973531.db2.gz AQHPTUTZTQBVGV-UHFFFAOYSA-N 0 3 231.271 0.266 20 0 BCADHN O=C1CCCN1CCN1CC[C@@H](CF)C1 ZINC000880293491 590986807 /nfs/dbraw/zinc/98/68/07/590986807.db2.gz LQPFMHSLHBFLAS-JTQLQIEISA-N 0 3 214.284 0.900 20 0 BCADHN NC(=O)CN(CC1CCC1)C1CCOCC1 ZINC000880392985 591019332 /nfs/dbraw/zinc/01/93/32/591019332.db2.gz LALYCBAZUXBTJM-UHFFFAOYSA-N 0 3 226.320 0.753 20 0 BCADHN O[C@H](CN1C[C@H]2C[C@@]2(O)C1)CC1(O)CCCC1 ZINC000880420596 591029421 /nfs/dbraw/zinc/02/94/21/591029421.db2.gz KAZGRFYDYMTOJY-NTZNESFSSA-N 0 3 241.331 0.109 20 0 BCADHN O[C@H](CN1C[C@@H]2C[C@]2(O)C1)c1ccccn1 ZINC000880421318 591030285 /nfs/dbraw/zinc/03/02/85/591030285.db2.gz ZUNKXRFMPMQXCN-WCQGTBRESA-N 0 3 220.272 0.182 20 0 BCADHN C[C@@H]1CC[C@H](CO)N1Cc1ccnn1C ZINC000880434918 591036440 /nfs/dbraw/zinc/03/64/40/591036440.db2.gz JOATVBAQIDTDAR-MWLCHTKSSA-N 0 3 209.293 0.765 20 0 BCADHN C[S@@](=O)CCN1CCC(C)(N2CCC2)CC1 ZINC000880473776 591053713 /nfs/dbraw/zinc/05/37/13/591053713.db2.gz NUBQXIRIMLIVDM-MRXNPFEDSA-N 0 3 244.404 0.925 20 0 BCADHN Cc1cc(C)n(CCN2CC=C[C@H]2CO)n1 ZINC000880485496 591058663 /nfs/dbraw/zinc/05/86/63/591058663.db2.gz DLQYWMJEWCZTBF-LBPRGKRZSA-N 0 3 221.304 0.733 20 0 BCADHN O=C1OCC[C@@H]1CCN1CC=C[C@H]1CO ZINC000880485777 591060728 /nfs/dbraw/zinc/06/07/28/591060728.db2.gz HJLHPUGTCZZJHC-UWVGGRQHSA-N 0 3 211.261 0.172 20 0 BCADHN NC(=O)c1ccc(CN2CC=C[C@H]2CO)cc1 ZINC000880487154 591063277 /nfs/dbraw/zinc/06/32/77/591063277.db2.gz XPBRRFLARSACEJ-LBPRGKRZSA-N 0 3 232.283 0.518 20 0 BCADHN Cn1nccc1CCN1CC=C[C@@H]1CO ZINC000880489712 591065701 /nfs/dbraw/zinc/06/57/01/591065701.db2.gz XHQBJDUUQBGYSC-LLVKDONJSA-N 0 3 207.277 0.195 20 0 BCADHN OC[C@H]1C=CCN1C[C@@H](O)CC1(O)CCCC1 ZINC000880495095 591072912 /nfs/dbraw/zinc/07/29/12/591072912.db2.gz ZKPUYGPVMGVJFX-NEPJUHHUSA-N 0 3 241.331 0.275 20 0 BCADHN COC(=O)CCCCN1CC=C[C@H]1CO ZINC000880494734 591073692 /nfs/dbraw/zinc/07/36/92/591073692.db2.gz RXXBLRLFHVXJLY-JTQLQIEISA-N 0 3 213.277 0.562 20 0 BCADHN CC[C@@H](N[C@@H]1CCC[C@]12CCCO2)C(N)=O ZINC000880514747 591082668 /nfs/dbraw/zinc/08/26/68/591082668.db2.gz QXJSGPTZKXTDHZ-FOGDFJRCSA-N 0 3 226.320 0.942 20 0 BCADHN COCCN1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880523925 591083159 /nfs/dbraw/zinc/08/31/59/591083159.db2.gz NENMAFNAORGHOQ-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN CC[C@@H](O)CN1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880531845 591085514 /nfs/dbraw/zinc/08/55/14/591085514.db2.gz XTDHZUVYOAHKDG-HBNTYKKESA-N 0 3 226.320 0.358 20 0 BCADHN c1nc(CN2CCC3(CC2)COCCO3)c[nH]1 ZINC000880546890 591087594 /nfs/dbraw/zinc/08/75/94/591087594.db2.gz VAYWTDXMMIPIGG-UHFFFAOYSA-N 0 3 237.303 0.791 20 0 BCADHN c1ncc(CN2CCC3(CC2)COCCO3)[nH]1 ZINC000880546890 591087599 /nfs/dbraw/zinc/08/75/99/591087599.db2.gz VAYWTDXMMIPIGG-UHFFFAOYSA-N 0 3 237.303 0.791 20 0 BCADHN COC[C@H](O)CN1CCC(OC(C)=O)CC1 ZINC000128485728 591089682 /nfs/dbraw/zinc/08/96/82/591089682.db2.gz PUVKFYPRYXHSQR-SNVBAGLBSA-N 0 3 231.292 0.021 20 0 BCADHN COC(=O)[C@]1(O)CCN(CCCSC)C1 ZINC000880562364 591091775 /nfs/dbraw/zinc/09/17/75/591091775.db2.gz KEICSXNOERQQPD-JTQLQIEISA-N 0 3 233.333 0.349 20 0 BCADHN COC(=O)[C@]1(O)CCN([C@H]2C=CCCC2)C1 ZINC000880561679 591092851 /nfs/dbraw/zinc/09/28/51/591092851.db2.gz NWMSPUFNLJEYBO-JQWIXIFHSA-N 0 3 225.288 0.705 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CC2CC(F)(F)C2)C1 ZINC000880565153 591093677 /nfs/dbraw/zinc/09/36/77/591093677.db2.gz ILPZHLAUFJFVMD-SNVBAGLBSA-N 0 3 249.257 0.642 20 0 BCADHN CC/C=C\CCN1CC[C@](O)(C(=O)OC)C1 ZINC000880565093 591094244 /nfs/dbraw/zinc/09/42/44/591094244.db2.gz BNPMZVNCHGIBKV-QMAVJUDZSA-N 0 3 227.304 0.953 20 0 BCADHN CC[C@H](CN1CC[C@](O)(C(=O)OC)C1)OC ZINC000880564515 591094298 /nfs/dbraw/zinc/09/42/98/591094298.db2.gz AOBJJGXGMDRXAS-MWLCHTKSSA-N 0 3 231.292 0.021 20 0 BCADHN COC(=O)[C@@]1(O)CCN(C[C@@H](OC)C2CC2)C1 ZINC000880567818 591095404 /nfs/dbraw/zinc/09/54/04/591095404.db2.gz OZWPTYQTOHWWNU-ZYHUDNBSSA-N 0 3 243.303 0.021 20 0 BCADHN COC(=O)[C@@]1(O)CCN(C[C@H](OC)C2CC2)C1 ZINC000880567815 591095625 /nfs/dbraw/zinc/09/56/25/591095625.db2.gz OZWPTYQTOHWWNU-CMPLNLGQSA-N 0 3 243.303 0.021 20 0 BCADHN CNC(=O)CCCN(C)[C@@H](CC(C)C)C(N)=O ZINC000880591190 591102723 /nfs/dbraw/zinc/10/27/23/591102723.db2.gz BBGCAQARSJSRQD-JTQLQIEISA-N 0 3 243.351 0.344 20 0 BCADHN CO[C@H](C)CN(C)[C@@H](CC(C)C)C(N)=O ZINC000880590033 591102730 /nfs/dbraw/zinc/10/27/30/591102730.db2.gz KBFQERPVEAPJTD-ZJUUUORDSA-N 0 3 216.325 0.853 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)C[C@H](C)CO ZINC000880590391 591103684 /nfs/dbraw/zinc/10/36/84/591103684.db2.gz PXFJHMBWQHHPPF-UWVGGRQHSA-N 0 3 216.325 0.447 20 0 BCADHN CN(C)C(=O)CCN1CCc2ncncc2C1 ZINC000880594245 591104433 /nfs/dbraw/zinc/10/44/33/591104433.db2.gz KTFNPCYUBQRQQP-UHFFFAOYSA-N 0 3 234.303 0.313 20 0 BCADHN CCN(C)C(=O)CCN1CCc2ncncc2C1 ZINC000880594738 591104768 /nfs/dbraw/zinc/10/47/68/591104768.db2.gz KSGUDGPKQCOQJF-UHFFFAOYSA-N 0 3 248.330 0.703 20 0 BCADHN COCC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000880596050 591105759 /nfs/dbraw/zinc/10/57/59/591105759.db2.gz YPSLZCKWHOBLSX-JTQLQIEISA-N 0 3 212.293 0.185 20 0 BCADHN CN(C)CC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000880614071 591110703 /nfs/dbraw/zinc/11/07/03/591110703.db2.gz QGYYMBMRUCSXQL-LLVKDONJSA-N 0 3 241.379 0.737 20 0 BCADHN CCCN1CC[C@@H](NC(=O)COC2CC2)C1 ZINC000880741998 591137116 /nfs/dbraw/zinc/13/71/16/591137116.db2.gz QMRZGINMQDBCIH-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)[C@H](C(=O)NCCc1cnoc1)N(C)C ZINC000880794608 591141401 /nfs/dbraw/zinc/14/14/01/591141401.db2.gz HDFSAUPMPLEJQH-LLVKDONJSA-N 0 3 239.319 0.920 20 0 BCADHN CCOC(=O)[C@H](CC)n1cc([C@@H](C)N)nn1 ZINC000881069890 591162385 /nfs/dbraw/zinc/16/23/85/591162385.db2.gz HTVVONWRMCAUNV-APPZFPTMSA-N 0 3 226.280 0.812 20 0 BCADHN CCOC(=O)[C@@H](CC)n1cc([C@@H](C)N)nn1 ZINC000881069893 591162631 /nfs/dbraw/zinc/16/26/31/591162631.db2.gz HTVVONWRMCAUNV-VXNVDRBHSA-N 0 3 226.280 0.812 20 0 BCADHN CC[C@H](C(=O)OC)n1cc([C@@H](C)N)nn1 ZINC000881135870 591165989 /nfs/dbraw/zinc/16/59/89/591165989.db2.gz MQADXEWEVPUKJH-HTRCEHHLSA-N 0 3 212.253 0.422 20 0 BCADHN COC(=O)CCCCn1cc([C@@H](C)N)nn1 ZINC000881205196 591172131 /nfs/dbraw/zinc/17/21/31/591172131.db2.gz WATVYWMIVRWZSR-MRVPVSSYSA-N 0 3 226.280 0.641 20 0 BCADHN CN(C)CC(C)(C)NC(=O)Nc1cn(C)nn1 ZINC000881212061 591172669 /nfs/dbraw/zinc/17/26/69/591172669.db2.gz HEZLXDPJMXZTJA-UHFFFAOYSA-N 0 3 240.311 0.277 20 0 BCADHN Cc1nonc1Cn1cc(CCN(C)C)nn1 ZINC000881280737 591179358 /nfs/dbraw/zinc/17/93/58/591179358.db2.gz OWOMKGBTRBVRQQ-UHFFFAOYSA-N 0 3 236.279 0.122 20 0 BCADHN CCCOC(=O)[C@H](C)n1cc([C@@H](C)N)nn1 ZINC000881295538 591182112 /nfs/dbraw/zinc/18/21/12/591182112.db2.gz BPIFLDHFSCGPGV-SFYZADRCSA-N 0 3 226.280 0.812 20 0 BCADHN Cc1oncc1Cn1cc(CCN(C)C)nn1 ZINC000881300345 591182817 /nfs/dbraw/zinc/18/28/17/591182817.db2.gz KQKIJKSNOOIDLM-UHFFFAOYSA-N 0 3 235.291 0.727 20 0 BCADHN Cc1cc(Cn2cc([C@H](C)N)nn2)nc(C)n1 ZINC000881325553 591192316 /nfs/dbraw/zinc/19/23/16/591192316.db2.gz RMTKVGRXEBEVBN-QMMMGPOBSA-N 0 3 232.291 0.753 20 0 BCADHN CC[C@](C)(N)c1cn(Cc2cnon2)nn1 ZINC000881359105 591193422 /nfs/dbraw/zinc/19/34/22/591193422.db2.gz IUBKPUSTDYWMNO-VIFPVBQESA-N 0 3 222.252 0.293 20 0 BCADHN CC[C@H](N)c1cn(Cc2cnn(CC)n2)nn1 ZINC000881373909 591196798 /nfs/dbraw/zinc/19/67/98/591196798.db2.gz RWLLUPSGXQHEID-VIFPVBQESA-N 0 3 235.295 0.348 20 0 BCADHN CCC[C@H](N)c1cn(Cc2cnn(CC)n2)nn1 ZINC000881373493 591196938 /nfs/dbraw/zinc/19/69/38/591196938.db2.gz PLGKMAPHVKWDDA-JTQLQIEISA-N 0 3 249.322 0.738 20 0 BCADHN CCn1ncc(Cn2cc([C@H](N)C(C)C)nn2)n1 ZINC000881372575 591197153 /nfs/dbraw/zinc/19/71/53/591197153.db2.gz GYKBFQSNLFVENX-LLVKDONJSA-N 0 3 249.322 0.594 20 0 BCADHN C[C@@H](N)c1cn(C[C@@H]2COC(C)(C)O2)nn1 ZINC000881391456 591200076 /nfs/dbraw/zinc/20/00/76/591200076.db2.gz CZAROBPMSRFZDL-HTQZYQBOSA-N 0 3 226.280 0.449 20 0 BCADHN CC(C(=O)NC[C@@]1(C)CC1(C)C)S(C)(=O)=O ZINC000881540072 591234200 /nfs/dbraw/zinc/23/42/00/591234200.db2.gz CUCJVGOQWJEMAK-LDYMZIIASA-N 0 3 247.360 0.972 20 0 BCADHN C=C/C=C\CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000881568076 591242851 /nfs/dbraw/zinc/24/28/51/591242851.db2.gz IHOSQZGNCAJMEN-SCOBNMCVSA-N 0 3 249.358 0.625 20 0 BCADHN Cc1nc2nc(C)cc(NCCN(C)C)n2n1 ZINC000881736765 591268011 /nfs/dbraw/zinc/26/80/11/591268011.db2.gz GXQOYZMHVOMFMN-UHFFFAOYSA-N 0 3 234.307 0.715 20 0 BCADHN C[C@H]1CCCN1CCNc1cc(C(N)=O)ncn1 ZINC000882031589 591289393 /nfs/dbraw/zinc/28/93/93/591289393.db2.gz IUDFGUKCKPAMIN-VIFPVBQESA-N 0 3 249.318 0.472 20 0 BCADHN Cc1nc2nc(C)cc(N(C)CCN(C)C)n2n1 ZINC000882046623 591291913 /nfs/dbraw/zinc/29/19/13/591291913.db2.gz WFVVHSRQKBBNGC-UHFFFAOYSA-N 0 3 248.334 0.739 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1C[C@@H](COC)C1 ZINC000882100589 591298051 /nfs/dbraw/zinc/29/80/51/591298051.db2.gz LFZDDQHHZKOMMZ-PHIMTYICSA-N 0 3 228.336 0.869 20 0 BCADHN COC[C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC000882103495 591298454 /nfs/dbraw/zinc/29/84/54/591298454.db2.gz UXKFJQVDPBTETP-PHIMTYICSA-N 0 3 228.336 0.868 20 0 BCADHN CN(C)C1(CNS(=O)(=O)C2CCC2)CCC1 ZINC000882108126 591299245 /nfs/dbraw/zinc/29/92/45/591299245.db2.gz APLGZRVEHFXNSX-UHFFFAOYSA-N 0 3 246.376 0.943 20 0 BCADHN CN(C)C[C@](C)(O)CNc1ncc(C=O)cn1 ZINC000882128025 591302524 /nfs/dbraw/zinc/30/25/24/591302524.db2.gz NFIJXJGUAYEUPD-LLVKDONJSA-N 0 3 238.291 0.014 20 0 BCADHN CN(C)CC1(NS(=O)(=O)C2CCC2)CCC1 ZINC000882154780 591307591 /nfs/dbraw/zinc/30/75/91/591307591.db2.gz YXFVCUQXSGPWOX-UHFFFAOYSA-N 0 3 246.376 0.943 20 0 BCADHN Cc1ncnc(N[C@@H](CO)CN(C)C)c1C ZINC000882370650 591338690 /nfs/dbraw/zinc/33/86/90/591338690.db2.gz ZEHYJEFDIPTVBR-SNVBAGLBSA-N 0 3 224.308 0.428 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)[C@H](C)N(C)C ZINC000882496142 591377176 /nfs/dbraw/zinc/37/71/76/591377176.db2.gz PEBNNXYYJBTJBJ-VHSXEESVSA-N 0 3 213.325 0.147 20 0 BCADHN Cc1ccnc(NC[C@@H]2CSCCN2)n1 ZINC000882729308 591423746 /nfs/dbraw/zinc/42/37/46/591423746.db2.gz YGOIDCADJZWMSZ-SECBINFHSA-N 0 3 224.333 0.902 20 0 BCADHN COCCNCCNC(=O)[C@H]1Cc2ccccc21 ZINC000212736168 591425920 /nfs/dbraw/zinc/42/59/20/591425920.db2.gz NUNJQODAXWYRIA-ZDUSSCGKSA-N 0 3 248.326 0.679 20 0 BCADHN CN(CCNc1ccccn1)CCOCCO ZINC000882952255 591484312 /nfs/dbraw/zinc/48/43/12/591484312.db2.gz OFJOSOGMUFKSIZ-UHFFFAOYSA-N 0 3 239.319 0.434 20 0 BCADHN Nc1cnccc1CN[C@H](CCO)C1CC1 ZINC000883016484 591515751 /nfs/dbraw/zinc/51/57/51/591515751.db2.gz AOSDQRIQCWJCCE-GFCCVEGCSA-N 0 3 221.304 0.914 20 0 BCADHN CCNCC(=O)NCCCn1nc(C)cc1C ZINC000130870871 591531325 /nfs/dbraw/zinc/53/13/25/591531325.db2.gz YAZTVHBBZZWIPL-UHFFFAOYSA-N 0 3 238.335 0.616 20 0 BCADHN Cc1cc(CNCCc2n[nH]c(C)n2)no1 ZINC000883081078 591536955 /nfs/dbraw/zinc/53/69/55/591536955.db2.gz SYXXWXVGQMVZQT-UHFFFAOYSA-N 0 3 221.264 0.742 20 0 BCADHN Cc1cc(CNCCc2nnc(C)[nH]2)no1 ZINC000883081078 591536959 /nfs/dbraw/zinc/53/69/59/591536959.db2.gz SYXXWXVGQMVZQT-UHFFFAOYSA-N 0 3 221.264 0.742 20 0 BCADHN CN(C)CCNC(=O)C[C@@H]1CSCCS1 ZINC000130980566 591539719 /nfs/dbraw/zinc/53/97/19/591539719.db2.gz VZHRPJGJVLVIQO-SECBINFHSA-N 0 3 248.417 0.903 20 0 BCADHN C[C@@](O)(CO)CNCc1cccc(Cl)c1N ZINC000883108959 591540407 /nfs/dbraw/zinc/54/04/07/591540407.db2.gz ZTTXZEAWCRFLKL-NSHDSACASA-N 0 3 244.722 0.755 20 0 BCADHN CON(C)CCNCc1cccc(F)c1N ZINC000883171458 591559168 /nfs/dbraw/zinc/55/91/68/591559168.db2.gz ZEJHFEVMQLPLSG-UHFFFAOYSA-N 0 3 227.283 0.991 20 0 BCADHN CON(C)CCNCc1ccc(C)nc1 ZINC000883172079 591559473 /nfs/dbraw/zinc/55/94/73/591559473.db2.gz UCXXCNIWWYFKJS-UHFFFAOYSA-N 0 3 209.293 0.973 20 0 BCADHN CON(C)CCNCc1cnc(C2CC2)nc1 ZINC000883171456 591559595 /nfs/dbraw/zinc/55/95/95/591559595.db2.gz ZDMHXYAIBIMGCX-UHFFFAOYSA-N 0 3 236.319 0.937 20 0 BCADHN COc1cncc(CNCCN(C)OC)c1 ZINC000883171281 591560519 /nfs/dbraw/zinc/56/05/19/591560519.db2.gz UFWKOWYYIGBEPT-UHFFFAOYSA-N 0 3 225.292 0.673 20 0 BCADHN COC(=O)c1cc(CNCCN(C)OC)c[nH]1 ZINC000883171777 591560694 /nfs/dbraw/zinc/56/06/94/591560694.db2.gz ISIIPRINSBNMMO-UHFFFAOYSA-N 0 3 241.291 0.384 20 0 BCADHN CCn1nccc1CNCCN(C)OC ZINC000883172069 591560709 /nfs/dbraw/zinc/56/07/09/591560709.db2.gz SMUOGDNGHCHFQX-UHFFFAOYSA-N 0 3 212.297 0.486 20 0 BCADHN CON(C)CCNCc1cnc([C@@H](C)O)s1 ZINC000883171614 591561017 /nfs/dbraw/zinc/56/10/17/591561017.db2.gz DDHBWSRMVWJRQZ-MRVPVSSYSA-N 0 3 245.348 0.779 20 0 BCADHN CON(C)CCNCc1cccnc1C ZINC000883172400 591562577 /nfs/dbraw/zinc/56/25/77/591562577.db2.gz GDOJGTLLTPMJAE-UHFFFAOYSA-N 0 3 209.293 0.973 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1cccc(Cl)c1N ZINC000883196191 591569631 /nfs/dbraw/zinc/56/96/31/591569631.db2.gz LCIAKQGTHAHPIE-GMSGAONNSA-N 0 3 244.722 0.754 20 0 BCADHN COC[C@H](NCC(=O)N(C)C)[C@H]1CCCOC1 ZINC000883214062 591575662 /nfs/dbraw/zinc/57/56/62/591575662.db2.gz WTDPOQVGTWZGKR-QWRGUYRKSA-N 0 3 244.335 0.106 20 0 BCADHN Cn1cncc1CNC[C@@H](CO)Cc1ccoc1 ZINC000883269169 591602938 /nfs/dbraw/zinc/60/29/38/591602938.db2.gz APMFVHODMHOHMX-LBPRGKRZSA-N 0 3 249.314 0.954 20 0 BCADHN CC(C)(C)N(CC[C@H]1CCOC1=O)CC(N)=O ZINC000131421962 591607837 /nfs/dbraw/zinc/60/78/37/591607837.db2.gz VHSOSPLHOCGNNW-VIFPVBQESA-N 0 3 242.319 0.525 20 0 BCADHN CCN1CC[C@@H]1CNCc1ccc(C)nn1 ZINC000883359162 591629375 /nfs/dbraw/zinc/62/93/75/591629375.db2.gz ZIXUHAREODGNGC-GFCCVEGCSA-N 0 3 220.320 0.969 20 0 BCADHN CC[C@H](O)CCNc1cc(C)nc(N)n1 ZINC000131635727 591630757 /nfs/dbraw/zinc/63/07/57/591630757.db2.gz RMWPEBINQHRDJX-QMMMGPOBSA-N 0 3 210.281 0.940 20 0 BCADHN CCNC(=O)CN(CC)C[C@@H]1C[C@H](F)CN1 ZINC000883419199 591655353 /nfs/dbraw/zinc/65/53/53/591655353.db2.gz FBJJIEIHWLHRFA-UWVGGRQHSA-N 0 3 231.315 0.144 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)C[C@@H]1C[C@H](F)CN1 ZINC000883461964 591674727 /nfs/dbraw/zinc/67/47/27/591674727.db2.gz HCSHPORULHTKCM-DCAQKATOSA-N 0 3 245.342 0.518 20 0 BCADHN O=S1(=O)CCC[C@H](N[C@H](CCO)C2CC2)C1 ZINC000132279280 591696578 /nfs/dbraw/zinc/69/65/78/591696578.db2.gz JRSKZUCVTZXMIS-WDEREUQCSA-N 0 3 247.360 0.314 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H](CCO)C1CC1 ZINC000132281237 591697945 /nfs/dbraw/zinc/69/79/45/591697945.db2.gz QZPNYTSLMKSIPR-MWLCHTKSSA-N 0 3 249.376 0.560 20 0 BCADHN COC(=O)/C(C)=C\CN1CCC[C@@H]1CO ZINC000214654133 591701880 /nfs/dbraw/zinc/70/18/80/591701880.db2.gz CKFXJUQZPZFNAC-HYHWUIIZSA-N 0 3 213.277 0.562 20 0 BCADHN CCN(CC)C(=O)CN[C@@H](C)[C@H](C)OC ZINC000132697047 591730930 /nfs/dbraw/zinc/73/09/30/591730930.db2.gz 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COCC[C@H](N)C(=O)Nc1ccc2c(c1)CCN2 ZINC000884018715 591801916 /nfs/dbraw/zinc/80/19/16/591801916.db2.gz CBMFMUYYGMQVIJ-NSHDSACASA-N 0 3 249.314 0.957 20 0 BCADHN Cc1cc(NCC(C)(C)CO)nc(N)n1 ZINC000133503273 591807299 /nfs/dbraw/zinc/80/72/99/591807299.db2.gz OSWRIHHTASWJAD-UHFFFAOYSA-N 0 3 210.281 0.798 20 0 BCADHN CC(=O)c1cncc(C(=O)N(C)[C@@H](C)CN)c1 ZINC000884032396 591816577 /nfs/dbraw/zinc/81/65/77/591816577.db2.gz QDMQIYQUAPIHSY-QMMMGPOBSA-N 0 3 235.287 0.703 20 0 BCADHN CC(CO)(CO)CNC[C@@H](O)c1ccccc1 ZINC000133570811 591829554 /nfs/dbraw/zinc/82/95/54/591829554.db2.gz HIJOHBNRWOTVFP-GFCCVEGCSA-N 0 3 239.315 0.301 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000884076122 591843417 /nfs/dbraw/zinc/84/34/17/591843417.db2.gz RZWSHXYHGBIODX-GUBZILKMSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000884103337 591851616 /nfs/dbraw/zinc/85/16/16/591851616.db2.gz HWOBWKJIOVWVBV-AXFHLTTASA-N 0 3 226.320 0.751 20 0 BCADHN 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241.331 0.495 20 0 BCADHN Cc1n[nH]c(CNCCN2CCC2)c1C ZINC000886043490 592139399 /nfs/dbraw/zinc/13/93/99/592139399.db2.gz DCBQUGTWHKEYAG-UHFFFAOYSA-N 0 3 208.309 0.822 20 0 BCADHN Cc1n[nH]c(CNC[C@]2(O)CCOC2)c1C ZINC000886046767 592140475 /nfs/dbraw/zinc/14/04/75/592140475.db2.gz PBXKFNUGDDQCRD-LLVKDONJSA-N 0 3 225.292 0.268 20 0 BCADHN COC[C@@H](CNCc1[nH]nc(C)c1C)OC ZINC000886059962 592141585 /nfs/dbraw/zinc/14/15/85/592141585.db2.gz PZFWJFMSXQKKBS-SNVBAGLBSA-N 0 3 227.308 0.778 20 0 BCADHN COC[C@@H](CNCc1n[nH]c(C)c1C)OC ZINC000886059962 592141587 /nfs/dbraw/zinc/14/15/87/592141587.db2.gz PZFWJFMSXQKKBS-SNVBAGLBSA-N 0 3 227.308 0.778 20 0 BCADHN Cc1[nH]nc(CN[C@]2(CO)CCOC2)c1C ZINC000886061850 592141861 /nfs/dbraw/zinc/14/18/61/592141861.db2.gz AKGPJUDZRBQFQS-NSHDSACASA-N 0 3 225.292 0.268 20 0 BCADHN Cc1n[nH]c(CN[C@H](C)C[S@@](C)=O)c1C ZINC000886061965 592142459 /nfs/dbraw/zinc/14/24/59/592142459.db2.gz CVNMCEBZXPKXAN-KWKYVRJSSA-N 0 3 229.349 0.883 20 0 BCADHN Cc1[nH]nc(CN[C@H](C)C[S@@](C)=O)c1C ZINC000886061965 592142460 /nfs/dbraw/zinc/14/24/60/592142460.db2.gz CVNMCEBZXPKXAN-KWKYVRJSSA-N 0 3 229.349 0.883 20 0 BCADHN CN(C[C@@H]1C[C@@]12CCOC2)[C@@H]1CCNC1=O ZINC000886089660 592144905 /nfs/dbraw/zinc/14/49/05/592144905.db2.gz GQKQDFQLIBNHKC-HOSYDEDBSA-N 0 3 224.304 0.233 20 0 BCADHN CN(C[C@@H]1C[C@]12CCOC2)[C@H]1CCNC1=O ZINC000886089662 592145732 /nfs/dbraw/zinc/14/57/32/592145732.db2.gz GQKQDFQLIBNHKC-NHCYSSNCSA-N 0 3 224.304 0.233 20 0 BCADHN C[C@H]1CN(C[C@](C)(O)C(F)F)CCN1C ZINC000886092185 592146786 /nfs/dbraw/zinc/14/67/86/592146786.db2.gz QQZIWDCGESSQFY-WPRPVWTQSA-N 0 3 222.279 0.638 20 0 BCADHN Cc1n[nH]c(CNC[C@]2(O)CCO[C@H]2C)c1C ZINC000886099359 592148586 /nfs/dbraw/zinc/14/85/86/592148586.db2.gz YAIQDIQQGZGDTQ-CMPLNLGQSA-N 0 3 239.319 0.656 20 0 BCADHN COC(CN1CCC[C@@H]([C@@H](C)O)C1)OC ZINC000136799913 592151472 /nfs/dbraw/zinc/15/14/72/592151472.db2.gz MSPXKLBNJIYCRD-NXEZZACHSA-N 0 3 217.309 0.698 20 0 BCADHN C[C@@](O)(CN1CCC[C@](C)(O)C1)C(F)F ZINC000886100386 592154790 /nfs/dbraw/zinc/15/47/90/592154790.db2.gz MOZPIHRDLIPAEM-VHSXEESVSA-N 0 3 223.263 0.849 20 0 BCADHN CO[C@@H]1COC[C@H]1NCc1n[nH]c(C)c1C ZINC000886151084 592163333 /nfs/dbraw/zinc/16/33/33/592163333.db2.gz AHKYIZKBQSRCIJ-GHMZBOCLSA-N 0 3 225.292 0.530 20 0 BCADHN CO[C@@H]1CN(C[C@@](C)(O)C(F)F)C[C@@H]1OC ZINC000886170398 592168546 /nfs/dbraw/zinc/16/85/46/592168546.db2.gz YABPKWUPRNQESG-KHQFGBGNSA-N 0 3 239.262 0.348 20 0 BCADHN C[C@](O)(CN1C[C@H](O)C(C)(C)C1)C(F)F ZINC000886178833 592170193 /nfs/dbraw/zinc/17/01/93/592170193.db2.gz GOGAHJJFIDJZCM-XVKPBYJWSA-N 0 3 223.263 0.705 20 0 BCADHN OC[C@]1(F)CCN(C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886194140 592173311 /nfs/dbraw/zinc/17/33/11/592173311.db2.gz JFAYJSJZMYAWKQ-TUAOUCFPSA-N 0 3 229.295 0.819 20 0 BCADHN Cc1cn[nH]c1CN[C@](C)(C(N)=O)C(C)C ZINC000886203409 592175143 /nfs/dbraw/zinc/17/51/43/592175143.db2.gz USODKWWDWYPLAV-NSHDSACASA-N 0 3 224.308 0.708 20 0 BCADHN CCCN(CC(N)=O)C[C@@H]1C[C@]12CCOC2 ZINC000886215847 592178014 /nfs/dbraw/zinc/17/80/14/592178014.db2.gz SBWULJFTQQQZOS-JQWIXIFHSA-N 0 3 226.320 0.610 20 0 BCADHN C[C@](O)(CN1CCC[C@@H](O)CC1)C(F)F ZINC000886221123 592180020 /nfs/dbraw/zinc/18/00/20/592180020.db2.gz UDKIQKXKEKMOHX-SCZZXKLOSA-N 0 3 223.263 0.849 20 0 BCADHN Cc1cn[nH]c1CN1CC[C@](O)(C(F)F)C1 ZINC000886229485 592181249 /nfs/dbraw/zinc/18/12/49/592181249.db2.gz QFEJNRCHHDXDET-SNVBAGLBSA-N 0 3 231.246 0.920 20 0 BCADHN Cn1cncc1CN[C@@H](CO)C[C@@H]1CCCO1 ZINC000886229971 592181330 /nfs/dbraw/zinc/18/13/30/592181330.db2.gz YLHKKHMJSJTURA-PWSUYJOCSA-N 0 3 239.319 0.440 20 0 BCADHN Cn1nccc1CN[C@H](CO)C[C@@H]1CCCO1 ZINC000886229353 592181343 /nfs/dbraw/zinc/18/13/43/592181343.db2.gz OIQGCGYUYJPQNP-JQWIXIFHSA-N 0 3 239.319 0.440 20 0 BCADHN O[C@@H]1C[C@@H](NCc2cccc(F)c2)C[C@@H]1O ZINC000886241297 592182010 /nfs/dbraw/zinc/18/20/10/592182010.db2.gz ULZHLRXZRYTEDF-CNDDSTCGSA-N 0 3 225.263 0.800 20 0 BCADHN O[C@@H]1C[C@@H](NCc2ccc(F)cc2)C[C@@H]1O ZINC000886241153 592182546 /nfs/dbraw/zinc/18/25/46/592182546.db2.gz PMUANCXFEVONPK-CNDDSTCGSA-N 0 3 225.263 0.800 20 0 BCADHN O[C@@H]1C[C@@H](NCc2ccncc2)C[C@@H]1O ZINC000886241239 592182898 /nfs/dbraw/zinc/18/28/98/592182898.db2.gz RVIGDJAFPCUNLR-RTCCRHLQSA-N 0 3 208.261 0.055 20 0 BCADHN Cc1ccc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)cn1 ZINC000886244956 592184690 /nfs/dbraw/zinc/18/46/90/592184690.db2.gz GGWNEYVGWFXSKV-CNDDSTCGSA-N 0 3 222.288 0.364 20 0 BCADHN OCc1ccc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886253757 592187504 /nfs/dbraw/zinc/18/75/04/592187504.db2.gz IHTLTOBRTLBJNG-CLLJXQQHSA-N 0 3 237.299 0.153 20 0 BCADHN O[C@@H]1C[C@H](NCc2cccc3nccn32)C[C@@H]1O ZINC000886255602 592188256 /nfs/dbraw/zinc/18/82/56/592188256.db2.gz BORDLZMRWBGSBI-YHPBZONMSA-N 0 3 247.298 0.308 20 0 BCADHN O[C@@H]1C[C@H](NCc2ccc(F)c(F)c2)C[C@@H]1O ZINC000886258036 592188832 /nfs/dbraw/zinc/18/88/32/592188832.db2.gz SXFNPTBNCJZOIF-ZSPDNNCOSA-N 0 3 243.253 0.939 20 0 BCADHN O=[S@]1C[C@@H]2C[C@H]1CN2C[C@@H]1C[C@@]12CCOC2 ZINC000886268794 592191075 /nfs/dbraw/zinc/19/10/75/592191075.db2.gz BJPVPFJUDPDHHM-ZKVGZHBLSA-N 0 3 241.356 0.618 20 0 BCADHN CC[C@@H](C(=O)NCc1cncc(O)c1)N(C)C ZINC000886273139 592193272 /nfs/dbraw/zinc/19/32/72/592193272.db2.gz NFJLFAYIZREEKZ-NSHDSACASA-N 0 3 237.303 0.744 20 0 BCADHN CC[C@@H](C(=O)NCc1cncc([O-])c1)[NH+](C)C ZINC000886273139 592193273 /nfs/dbraw/zinc/19/32/73/592193273.db2.gz NFJLFAYIZREEKZ-NSHDSACASA-N 0 3 237.303 0.744 20 0 BCADHN CN(CC(=O)NCc1cncc(O)c1)C1CCC1 ZINC000886274914 592194538 /nfs/dbraw/zinc/19/45/38/592194538.db2.gz HPPCODVEIWKZLB-UHFFFAOYSA-N 0 3 249.314 0.888 20 0 BCADHN CN(CC(=O)NCc1cncc([O-])c1)C1CCC1 ZINC000886274914 592194540 /nfs/dbraw/zinc/19/45/40/592194540.db2.gz HPPCODVEIWKZLB-UHFFFAOYSA-N 0 3 249.314 0.888 20 0 BCADHN C[N@H+](CC(=O)NCc1cncc([O-])c1)C1CCC1 ZINC000886274914 592194542 /nfs/dbraw/zinc/19/45/42/592194542.db2.gz HPPCODVEIWKZLB-UHFFFAOYSA-N 0 3 249.314 0.888 20 0 BCADHN C[N@@H+](CC(=O)NCc1cncc([O-])c1)C1CCC1 ZINC000886274914 592194543 /nfs/dbraw/zinc/19/45/43/592194543.db2.gz HPPCODVEIWKZLB-UHFFFAOYSA-N 0 3 249.314 0.888 20 0 BCADHN CN(C[C@H]1COCCO1)C[C@@](C)(O)C(F)F ZINC000886278455 592197021 /nfs/dbraw/zinc/19/70/21/592197021.db2.gz AENAORDJVBHPGI-WCBMZHEXSA-N 0 3 239.262 0.350 20 0 BCADHN C[C@@H]1CN(C[C@@](C)(O)C(F)F)C[C@@H](C)C1O ZINC000886278465 592197135 /nfs/dbraw/zinc/19/71/35/592197135.db2.gz AHDGUZIRJRKXMO-SOCHQFKDSA-N 0 3 237.290 0.951 20 0 BCADHN C[C@@H]1CN(C[C@@](C)(O)C(F)F)C[C@H](C)[C@H]1O ZINC000886278466 592197138 /nfs/dbraw/zinc/19/71/38/592197138.db2.gz AHDGUZIRJRKXMO-UYAYMFIHSA-N 0 3 237.290 0.951 20 0 BCADHN Cn1nncc1CNC[C@@H]1CC2(CCC2)CO1 ZINC000886289506 592201597 /nfs/dbraw/zinc/20/15/97/592201597.db2.gz XGAPTAUZFTVXQU-NSHDSACASA-N 0 3 236.319 0.864 20 0 BCADHN CO[C@@H]1CN(Cc2[nH]ncc2C)[C@](C)(CO)C1 ZINC000886307312 592204669 /nfs/dbraw/zinc/20/46/69/592204669.db2.gz OZLXCPKNUFQXHZ-JQWIXIFHSA-N 0 3 239.319 0.690 20 0 BCADHN O[C@@H]1CCN(CCOC2CCCCC2)C[C@@H]1O ZINC000886310317 592205479 /nfs/dbraw/zinc/20/54/79/592205479.db2.gz JCSAHYMRNYYBLG-OLZOCXBDSA-N 0 3 243.347 0.763 20 0 BCADHN CCN(C#N)CCN(C)[C@@H]1CCC[C@H]1O ZINC000886482014 592231733 /nfs/dbraw/zinc/23/17/33/592231733.db2.gz SDEDTJVKEGBKOC-GHMZBOCLSA-N 0 3 211.309 0.635 20 0 BCADHN CO[C@H]1COCC[C@H]1N(C)Cc1[nH]ncc1C ZINC000886318078 592207289 /nfs/dbraw/zinc/20/72/89/592207289.db2.gz IYHOGWWAVAQWLU-NEPJUHHUSA-N 0 3 239.319 0.954 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H]1NC(=O)CN(C)C(C)C ZINC000886317374 592207329 /nfs/dbraw/zinc/20/73/29/592207329.db2.gz KEXIYYCKXNYIJC-ZJUUUORDSA-N 0 3 242.319 0.394 20 0 BCADHN CCN(CC)C(=O)CNC1CCC(O)CC1 ZINC000219168546 592212962 /nfs/dbraw/zinc/21/29/62/592212962.db2.gz AKQIOZLYKJUXFG-UHFFFAOYSA-N 0 3 228.336 0.748 20 0 BCADHN CC(C)(C)n1nnc(CCN2C[C@@H]3C[C@@H]3C2)n1 ZINC000886348254 592214279 /nfs/dbraw/zinc/21/42/79/592214279.db2.gz JNIVZVIRPDSUFR-AOOOYVTPSA-N 0 3 235.335 0.922 20 0 BCADHN COCC[C@H](C)N1CCCn2nncc2C1 ZINC000886458041 592227126 /nfs/dbraw/zinc/22/71/26/592227126.db2.gz ZHFHCSHHDZKEDG-JTQLQIEISA-N 0 3 224.308 0.909 20 0 BCADHN Cc1nccn1CCN1CCCn2nncc2C1 ZINC000886460947 592228088 /nfs/dbraw/zinc/22/80/88/592228088.db2.gz CRSSDFPBUHQWRP-UHFFFAOYSA-N 0 3 246.318 0.689 20 0 BCADHN c1nnn2c1CN(CCC1OCCO1)CCC2 ZINC000886462974 592228177 /nfs/dbraw/zinc/22/81/77/592228177.db2.gz KZYIDKKGMUGFGR-UHFFFAOYSA-N 0 3 238.291 0.247 20 0 BCADHN c1nnn2c1CN(CC[C@@H]1CCOC1)CCC2 ZINC000886466742 592228535 /nfs/dbraw/zinc/22/85/35/592228535.db2.gz HVSRZTQRTALRRB-LLVKDONJSA-N 0 3 236.319 0.910 20 0 BCADHN c1nnn2c1CN(C[C@H]1C[C@]13CCOC3)CCC2 ZINC000886468501 592229837 /nfs/dbraw/zinc/22/98/37/592229837.db2.gz DHIJIQZQUQWPIF-YPMHNXCESA-N 0 3 248.330 0.910 20 0 BCADHN C[C@H]1OCC[C@H]1CN1CCCn2nncc2C1 ZINC000886468519 592229891 /nfs/dbraw/zinc/22/98/91/592229891.db2.gz DXXMPZBWUZXHHL-MNOVXSKESA-N 0 3 236.319 0.909 20 0 BCADHN CCCNC(=O)CN[C@H]1CC[C@H](C(=O)OC)C1 ZINC000886491392 592236686 /nfs/dbraw/zinc/23/66/86/592236686.db2.gz BGCYYEMITVGPII-UWVGGRQHSA-N 0 3 242.319 0.444 20 0 BCADHN COC(=O)[C@H]1CC[C@H](N[C@H](C)C(=O)N(C)C)C1 ZINC000886550291 592254738 /nfs/dbraw/zinc/25/47/38/592254738.db2.gz WXZLRLHKCPXOBL-UTLUCORTSA-N 0 3 242.319 0.394 20 0 BCADHN CC(C)[C@@H](N[C@@H](C)CC(N)=O)c1cnn(C)c1 ZINC000886543744 592255118 /nfs/dbraw/zinc/25/51/18/592255118.db2.gz UVCYYKJCHLVIAA-JOYOIKCWSA-N 0 3 238.335 0.971 20 0 BCADHN O=C(CN1C[C@@H]2CSC[C@@H]2C1)NCC1CC1 ZINC000886556515 592259411 /nfs/dbraw/zinc/25/94/11/592259411.db2.gz DOZHUNPHMKWYGV-PHIMTYICSA-N 0 3 240.372 0.807 20 0 BCADHN CON(C)C(=O)CN1C[C@@H]2CSC[C@@H]2C1 ZINC000886568247 592260941 /nfs/dbraw/zinc/26/09/41/592260941.db2.gz DUYVYFDRTGUCAI-DTORHVGOSA-N 0 3 230.333 0.301 20 0 BCADHN O[C@@H]1CC[C@@H]2CN(CC3OCCO3)C[C@H]12 ZINC000886575303 592267651 /nfs/dbraw/zinc/26/76/51/592267651.db2.gz NYCPBCOVUHUTED-KXUCPTDWSA-N 0 3 213.277 0.062 20 0 BCADHN COC(=O)[C@H]1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000886617371 592275378 /nfs/dbraw/zinc/27/53/78/592275378.db2.gz LPKOFNNMIZGFMO-AEJSXWLSSA-N 0 3 240.303 0.196 20 0 BCADHN CC[C@H](N[C@@H]1CC[C@H](C(=O)OC)C1)C(=O)NC ZINC000886621928 592279658 /nfs/dbraw/zinc/27/96/58/592279658.db2.gz GFHJHIHKPGIMLV-AEJSXWLSSA-N 0 3 242.319 0.442 20 0 BCADHN CSCc1nc(CN[C@@H](C)CCO)n[nH]1 ZINC000886755279 592315927 /nfs/dbraw/zinc/31/59/27/592315927.db2.gz CXDXKHMXBCBGJP-ZETCQYMHSA-N 0 3 230.337 0.528 20 0 BCADHN CSCc1n[nH]c(CN[C@@H](C)CCO)n1 ZINC000886755279 592315932 /nfs/dbraw/zinc/31/59/32/592315932.db2.gz CXDXKHMXBCBGJP-ZETCQYMHSA-N 0 3 230.337 0.528 20 0 BCADHN CCS(=O)(=O)CCNCC[C@@H]1CCOC1 ZINC000220674463 592321295 /nfs/dbraw/zinc/32/12/95/592321295.db2.gz GJBGQGZSWKTQKS-SNVBAGLBSA-N 0 3 235.349 0.437 20 0 BCADHN C[C@H](CO)CN1CC[C@](CO)(C(F)(F)F)C1 ZINC000886808768 592334080 /nfs/dbraw/zinc/33/40/80/592334080.db2.gz PBFQQJSXMRAWPU-IUCAKERBSA-N 0 3 241.253 0.862 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886832701 592352682 /nfs/dbraw/zinc/35/26/82/592352682.db2.gz LNYCBPSEBNVPFY-MXWKQRLJSA-N 0 3 226.320 0.751 20 0 BCADHN O=C(CN1CC[C@H]([C@H]2CCCO2)C1)N1CCC1 ZINC000886834983 592357083 /nfs/dbraw/zinc/35/70/83/592357083.db2.gz GKIQUTAPGBWKAJ-NWDGAFQWSA-N 0 3 238.331 0.720 20 0 BCADHN O=C(CN1CC[C@H]([C@H]2CCCO2)C1)NC1CC1 ZINC000886838053 592358534 /nfs/dbraw/zinc/35/85/34/592358534.db2.gz QTMCKOIGNQHMQQ-CMPLNLGQSA-N 0 3 238.331 0.766 20 0 BCADHN COCC[C@@H](C)N1CC[C@H](NC(=O)OC)C1 ZINC000886861785 592372186 /nfs/dbraw/zinc/37/21/86/592372186.db2.gz LTKONQMTNDPIAY-ZJUUUORDSA-N 0 3 230.308 0.842 20 0 BCADHN COC[C@H](NCC(C)=O)[C@H]1CCCOC1 ZINC000886915528 592394519 /nfs/dbraw/zinc/39/45/19/592394519.db2.gz FRNTXOQSFAJGGV-QWRGUYRKSA-N 0 3 215.293 0.607 20 0 BCADHN COC[C@@H](NCC(C)=O)[C@@H]1CCCOC1 ZINC000886915526 592394791 /nfs/dbraw/zinc/39/47/91/592394791.db2.gz FRNTXOQSFAJGGV-GHMZBOCLSA-N 0 3 215.293 0.607 20 0 BCADHN CC[C@H](C)[C@H](NC[C@H]1CCC(=O)O1)C(N)=O ZINC000887055841 592432847 /nfs/dbraw/zinc/43/28/47/592432847.db2.gz NTXBOUUNSSJUDN-XKSSXDPKSA-N 0 3 228.292 0.182 20 0 BCADHN CNS(=O)(=O)CCCN(C)CCCF ZINC000887138691 592453343 /nfs/dbraw/zinc/45/33/43/592453343.db2.gz HYGCVWLWSALTFE-UHFFFAOYSA-N 0 3 226.317 0.217 20 0 BCADHN C[C@@H]1CN(CCN(C)CCCF)CCO1 ZINC000887141091 592455021 /nfs/dbraw/zinc/45/50/21/592455021.db2.gz FSZWDURLFSSSSS-LLVKDONJSA-N 0 3 218.316 0.999 20 0 BCADHN CN(CCCF)[C@H]1CCC(=O)NC1=O ZINC000887141450 592455553 /nfs/dbraw/zinc/45/55/53/592455553.db2.gz URCYAGXIGDUFHA-ZETCQYMHSA-N 0 3 202.229 0.083 20 0 BCADHN CCOC(=O)[C@](C)(O)CN(C)CCCF ZINC000887141339 592456403 /nfs/dbraw/zinc/45/64/03/592456403.db2.gz OYSXFUBYFAHQAS-SNVBAGLBSA-N 0 3 221.272 0.592 20 0 BCADHN CN(CCCF)CCN1C(=O)CN(C)C1=O ZINC000887142641 592457257 /nfs/dbraw/zinc/45/72/57/592457257.db2.gz UIEZCSUYKHPXRA-UHFFFAOYSA-N 0 3 231.271 0.172 20 0 BCADHN CCN1CC[C@H]1CNc1ncnc2nccnc21 ZINC000887320525 592480879 /nfs/dbraw/zinc/48/08/79/592480879.db2.gz JBAWLRUDSJSYDE-VIFPVBQESA-N 0 3 244.302 0.926 20 0 BCADHN C[C@H]1CN(c2ccncc2)CCN1C(N)=O ZINC000887346228 592483767 /nfs/dbraw/zinc/48/37/67/592483767.db2.gz VLVWVWWJFVITAP-VIFPVBQESA-N 0 3 220.276 0.671 20 0 BCADHN COC[C@H](CNc1ccnc(CO)c1)OC ZINC000300385203 592510083 /nfs/dbraw/zinc/51/00/83/592510083.db2.gz QNWGPXGQXRCDHZ-NSHDSACASA-N 0 3 226.276 0.647 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCCc1cccnc1 ZINC000302670269 592551337 /nfs/dbraw/zinc/55/13/37/592551337.db2.gz LITVEVFTQGSELK-GFCCVEGCSA-N 0 3 233.315 0.868 20 0 BCADHN CCNCC(=O)NCC[C@H]1CCCCO1 ZINC000224106763 592552211 /nfs/dbraw/zinc/55/22/11/592552211.db2.gz QRIDJHDQAKHLRZ-SNVBAGLBSA-N 0 3 214.309 0.671 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@@H](N)CC2CC2)CC[C@H]1C ZINC000302713170 592553006 /nfs/dbraw/zinc/55/30/06/592553006.db2.gz YKBGTXFKTWJZPZ-ADEWGFFLSA-N 0 3 240.347 0.997 20 0 BCADHN Cc1c[nH]nc1C(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000887925877 592560192 /nfs/dbraw/zinc/56/01/92/592560192.db2.gz SWZLUZNOMCPMLN-MFKMUULPSA-N 0 3 248.330 0.742 20 0 BCADHN CN1C[C@@H]2CN(C(=O)c3cnn(C)c3)C[C@]2(C)C1 ZINC000887937815 592561031 /nfs/dbraw/zinc/56/10/31/592561031.db2.gz LWTWBYDOYGLWDM-YPMHNXCESA-N 0 3 248.330 0.444 20 0 BCADHN COC(=O)[C@@H]1CCN1C(=O)C1(N(C)C)CCC1 ZINC000888061101 592570433 /nfs/dbraw/zinc/57/04/33/592570433.db2.gz YFQMMNAGVJZUIR-VIFPVBQESA-N 0 3 240.303 0.245 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H]1C(=O)OC)N(C)C ZINC000888061075 592571259 /nfs/dbraw/zinc/57/12/59/592571259.db2.gz XVLDRCYQBCBGOJ-RKDXNWHRSA-N 0 3 228.292 0.101 20 0 BCADHN CC(C)=CC(=O)N1CCN(C)CCN(C)CC1 ZINC000888998749 592576081 /nfs/dbraw/zinc/57/60/81/592576081.db2.gz HJSYMRFQLWECBX-UHFFFAOYSA-N 0 3 239.363 0.658 20 0 BCADHN CC[C@@H](CO)C(=O)N1CCC12CCN(C)CC2 ZINC000889221877 592590314 /nfs/dbraw/zinc/59/03/14/592590314.db2.gz VYYKTEGISMMLFY-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN CO[C@@H]1CC[C@@H]1N(C)C(=O)CN(C)C(C)C ZINC000889352075 592599542 /nfs/dbraw/zinc/59/95/42/592599542.db2.gz IWHMAMVBEMFQRL-WDEREUQCSA-N 0 3 228.336 0.962 20 0 BCADHN CO[C@@H]1CC[C@@H]1N(C)C(=O)C(C)S(C)(=O)=O ZINC000889356964 592600433 /nfs/dbraw/zinc/60/04/33/592600433.db2.gz YDFGCWOYYKQDSD-XHNCKOQMSA-N 0 3 249.332 0.055 20 0 BCADHN CC(C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12)S(C)(=O)=O ZINC000889587418 592620431 /nfs/dbraw/zinc/62/04/31/592620431.db2.gz MQVQBKNXIOXMBH-UTINFBMNSA-N 0 3 245.344 0.724 20 0 BCADHN O=C(C1CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889781432 592653371 /nfs/dbraw/zinc/65/33/71/592653371.db2.gz OOZABVVWFPXWAM-VXGBXAGGSA-N 0 3 238.331 0.454 20 0 BCADHN CCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889783645 592653404 /nfs/dbraw/zinc/65/34/04/592653404.db2.gz ZQMQVIKFRTZLDO-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN O=C(NC1CC(CCO)C1)C12CCN(CC1)C2 ZINC000889988691 592668000 /nfs/dbraw/zinc/66/80/00/592668000.db2.gz UMWBWWQFZWVULG-UHFFFAOYSA-N 0 3 238.331 0.359 20 0 BCADHN CO[C@H](C)C(=O)NCCN1CCC(C)(C)C1 ZINC000890079303 592673833 /nfs/dbraw/zinc/67/38/33/592673833.db2.gz TVTQAMJHKGUOKS-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CC1(C)CCN(CCNC(=O)[C@@H](O)C2CC2)C1 ZINC000890071677 592676474 /nfs/dbraw/zinc/67/64/74/592676474.db2.gz DSCOGFNKXWYBHM-NSHDSACASA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H](O)C(=O)NCCN1CCC(C)(C)C1 ZINC000890072756 592676905 /nfs/dbraw/zinc/67/69/05/592676905.db2.gz VOFOROGEFSHFDF-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN CC(C)[C@H](C(=O)NCc1cn(C)cn1)N(C)C ZINC000890110964 592684059 /nfs/dbraw/zinc/68/40/59/592684059.db2.gz XPLLBLVFAMKOAA-LLVKDONJSA-N 0 3 238.335 0.623 20 0 BCADHN C[C@@H](N)c1cn([C@@H](C)C(=O)NC(C)(C)C)nn1 ZINC000124206682 592716633 /nfs/dbraw/zinc/71/66/33/592716633.db2.gz IUPKDBPKNJJMAT-SFYZADRCSA-N 0 3 239.323 0.774 20 0 BCADHN C[C@H](C(=O)NC(C)(C)C)n1cc([C@H](C)N)nn1 ZINC000124206937 592716719 /nfs/dbraw/zinc/71/67/19/592716719.db2.gz IUPKDBPKNJJMAT-JGVFFNPUSA-N 0 3 239.323 0.774 20 0 BCADHN CCN1CC[C@H](C[NH2+][C@H](C)CC(=O)[O-])C1 ZINC000252440054 598213519 /nfs/dbraw/zinc/21/35/19/598213519.db2.gz WLIPDXMOTRZVNS-NXEZZACHSA-N 0 3 214.309 0.781 20 0 BCADHN O=C([O-])CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000257763716 600834844 /nfs/dbraw/zinc/83/48/44/600834844.db2.gz ZIDGFBOMDSNEPA-LLVKDONJSA-N 0 3 226.320 0.879 20 0 BCADHN O=C([O-])C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000257763716 600834848 /nfs/dbraw/zinc/83/48/48/600834848.db2.gz ZIDGFBOMDSNEPA-LLVKDONJSA-N 0 3 226.320 0.879 20 0 BCADHN O=C([O-])C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000257763716 600834851 /nfs/dbraw/zinc/83/48/51/600834851.db2.gz ZIDGFBOMDSNEPA-LLVKDONJSA-N 0 3 226.320 0.879 20 0 BCADHN CCN(C)C[C@H]1CC[N@H+](CC(=O)[O-])C1 ZINC000379650188 601039954 /nfs/dbraw/zinc/03/99/54/601039954.db2.gz DQVPKLPVWZHYHG-SECBINFHSA-N 0 3 200.282 0.345 20 0 BCADHN CCN(C)C[C@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000379650188 601039957 /nfs/dbraw/zinc/03/99/57/601039957.db2.gz DQVPKLPVWZHYHG-SECBINFHSA-N 0 3 200.282 0.345 20 0 BCADHN CC[N@H+](C)C[C@H]1CCN(CC(=O)[O-])C1 ZINC000379650188 601039959 /nfs/dbraw/zinc/03/99/59/601039959.db2.gz DQVPKLPVWZHYHG-SECBINFHSA-N 0 3 200.282 0.345 20 0 BCADHN CC[N@@H+](C)C[C@H]1CCN(CC(=O)[O-])C1 ZINC000379650188 601039961 /nfs/dbraw/zinc/03/99/61/601039961.db2.gz DQVPKLPVWZHYHG-SECBINFHSA-N 0 3 200.282 0.345 20 0 BCADHN CC[N@@H+]1CC[C@@H](NCCNC(=O)[O-])[C@H](C)C1 ZINC000739458489 603070397 /nfs/dbraw/zinc/07/03/97/603070397.db2.gz YHYVIUAIZUXSQP-NXEZZACHSA-N 0 3 229.324 0.574 20 0 BCADHN CC[N@H+]1CC[C@@H](NCCNC(=O)[O-])[C@H](C)C1 ZINC000739458489 603070400 /nfs/dbraw/zinc/07/04/00/603070400.db2.gz YHYVIUAIZUXSQP-NXEZZACHSA-N 0 3 229.324 0.574 20 0 BCADHN CC[N@@H+]1CC[C@@H](NCCNC(=O)[O-])[C@@H](C)C1 ZINC000739458842 603070424 /nfs/dbraw/zinc/07/04/24/603070424.db2.gz YHYVIUAIZUXSQP-VHSXEESVSA-N 0 3 229.324 0.574 20 0 BCADHN CC[N@H+]1CC[C@@H](NCCNC(=O)[O-])[C@@H](C)C1 ZINC000739458842 603070430 /nfs/dbraw/zinc/07/04/30/603070430.db2.gz YHYVIUAIZUXSQP-VHSXEESVSA-N 0 3 229.324 0.574 20 0 BCADHN CN1CCC[C@H]2C[N@H+](CC(=O)[O-])CC[C@@H]21 ZINC000088091270 604361415 /nfs/dbraw/zinc/36/14/15/604361415.db2.gz JGILXRJQLFNUAX-UWVGGRQHSA-N 0 3 212.293 0.487 20 0 BCADHN CN1CCC[C@H]2C[N@@H+](CC(=O)[O-])CC[C@@H]21 ZINC000088091270 604361419 /nfs/dbraw/zinc/36/14/19/604361419.db2.gz JGILXRJQLFNUAX-UWVGGRQHSA-N 0 3 212.293 0.487 20 0 BCADHN CC[C@@H](CO)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000095162796 606636696 /nfs/dbraw/zinc/63/66/96/606636696.db2.gz NVZSJMZIGVMEPQ-NSHDSACASA-N 0 3 247.302 0.727 20 0 BCADHN CC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000095162796 606636697 /nfs/dbraw/zinc/63/66/97/606636697.db2.gz NVZSJMZIGVMEPQ-NSHDSACASA-N 0 3 247.302 0.727 20 0 BCADHN c1cc(C[NH2+][C@H]2CCOC2)cc(-c2nnn[n-]2)c1 ZINC000095143880 606720386 /nfs/dbraw/zinc/72/03/86/606720386.db2.gz JBLXOWBTGYWFRS-NSHDSACASA-N 0 3 245.286 0.745 20 0 BCADHN c1cc(C[NH2+][C@H]2CCOC2)cc(-c2nn[n-]n2)c1 ZINC000095143880 606720387 /nfs/dbraw/zinc/72/03/87/606720387.db2.gz JBLXOWBTGYWFRS-NSHDSACASA-N 0 3 245.286 0.745 20 0 BCADHN C[C@@H]([NH2+]CCO)c1ccc(-c2nnn[n-]2)cc1 ZINC000095247784 608460454 /nfs/dbraw/zinc/46/04/54/608460454.db2.gz BIJQFWWNYWBFIK-MRVPVSSYSA-N 0 3 233.275 0.510 20 0 BCADHN C[C@@H]([NH2+]CCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000095247784 608460455 /nfs/dbraw/zinc/46/04/55/608460455.db2.gz BIJQFWWNYWBFIK-MRVPVSSYSA-N 0 3 233.275 0.510 20 0 BCADHN C[C@H]([NH2+]CCO)c1cccc(-c2nnn[n-]2)c1 ZINC000095248239 608482794 /nfs/dbraw/zinc/48/27/94/608482794.db2.gz RPDQAWZQZKOEPW-QMMMGPOBSA-N 0 3 233.275 0.510 20 0 BCADHN C[C@H]([NH2+]CCO)c1cccc(-c2nn[n-]n2)c1 ZINC000095248239 608482795 /nfs/dbraw/zinc/48/27/95/608482795.db2.gz RPDQAWZQZKOEPW-QMMMGPOBSA-N 0 3 233.275 0.510 20 0 BCADHN C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000095246793 608567280 /nfs/dbraw/zinc/56/72/80/608567280.db2.gz PUUPVKQQUDPXEX-QMMMGPOBSA-N 0 3 233.275 0.337 20 0 BCADHN C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000095246793 608567282 /nfs/dbraw/zinc/56/72/82/608567282.db2.gz PUUPVKQQUDPXEX-QMMMGPOBSA-N 0 3 233.275 0.337 20 0 BCADHN C[C@@H]1CN(c2ccnc(CO)c2)C[C@H](CO)O1 ZINC000299962099 634401639 /nfs/dbraw/zinc/40/16/39/634401639.db2.gz KWEODPQSFUJWJT-BXKDBHETSA-N 0 3 238.287 0.160 20 0 BCADHN C[C@H]1CN(c2ccncc2CO)C[C@H](CO)O1 ZINC000299969961 634404272 /nfs/dbraw/zinc/40/42/72/634404272.db2.gz SZIOEKNRNXIKES-GXSJLCMTSA-N 0 3 238.287 0.160 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@H]1COCC1(C)C ZINC000313037211 634440907 /nfs/dbraw/zinc/44/09/07/634440907.db2.gz LFWVDDZXAPXYLF-BDAKNGLRSA-N 0 3 214.309 0.526 20 0 BCADHN CC1(C)COC[C@H]1N[C@H]1CCCS(=O)(=O)C1 ZINC000313098428 634451147 /nfs/dbraw/zinc/45/11/47/634451147.db2.gz WUOUFKSLIXGMJP-VHSXEESVSA-N 0 3 247.360 0.578 20 0 BCADHN CN1C[C@H](NC[C@@H](O)c2ccccc2)CC1=O ZINC000313568234 634490065 /nfs/dbraw/zinc/49/00/65/634490065.db2.gz UOCCOQPPTOZXKX-VXGBXAGGSA-N 0 3 234.299 0.540 20 0 BCADHN C[C@H]1CCCCN1C(=O)[C@@H]1CNCCN1C ZINC000257753330 634492280 /nfs/dbraw/zinc/49/22/80/634492280.db2.gz NSCQZBAZADYJIB-QWRGUYRKSA-N 0 3 225.336 0.291 20 0 BCADHN CC1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC000257751730 634492940 /nfs/dbraw/zinc/49/29/40/634492940.db2.gz HIVNWLKEGUZQEM-NSHDSACASA-N 0 3 225.336 0.149 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2ccc(CO)o2)C1 ZINC000651940445 634522481 /nfs/dbraw/zinc/52/24/81/634522481.db2.gz ORTFPTJXLCQYLY-OCAPTIKFSA-N 0 3 224.260 0.125 20 0 BCADHN Cc1cc(N)nc(NCCC2CC(O)C2)n1 ZINC000893497974 634534600 /nfs/dbraw/zinc/53/46/00/634534600.db2.gz IGJKQCOSZROCLS-UHFFFAOYSA-N 0 3 222.292 0.940 20 0 BCADHN CC1(C)C[C@H]1C(=O)NC[C@H]1CCCN1CCO ZINC001027834181 635165872 /nfs/dbraw/zinc/16/58/72/635165872.db2.gz VNLCZANGYRXRBL-MNOVXSKESA-N 0 3 240.347 0.605 20 0 BCADHN CC(=O)NC[C@@H]1[C@H]2CN(Cc3ccccn3)C[C@H]21 ZINC000977673680 634555589 /nfs/dbraw/zinc/55/55/89/634555589.db2.gz GCJWRZSGQOYRQV-ZSOGYDGISA-N 0 3 245.326 0.896 20 0 BCADHN CC[C@@H](C)[N@H+](C)CCNc1cc(=O)[n-]cn1 ZINC000219398998 635275164 /nfs/dbraw/zinc/27/51/64/635275164.db2.gz SKCYJKJAVYZSFK-SECBINFHSA-N 0 3 224.308 0.912 20 0 BCADHN CC[C@@H](C)[N@@H+](C)CCNc1cc(=O)[n-]cn1 ZINC000219398998 635275170 /nfs/dbraw/zinc/27/51/70/635275170.db2.gz SKCYJKJAVYZSFK-SECBINFHSA-N 0 3 224.308 0.912 20 0 BCADHN O=C(C(F)F)N1CC2(C1)CCCN(CCO)C2 ZINC000981568491 635373754 /nfs/dbraw/zinc/37/37/54/635373754.db2.gz GMQYULCPMYOMHB-UHFFFAOYSA-N 0 3 248.273 0.168 20 0 BCADHN C[C@@H]([NH2+][C@@H](C)CO)c1cccc(-c2nnn[n-]2)c1 ZINC000095245199 635436748 /nfs/dbraw/zinc/43/67/48/635436748.db2.gz PSQMWUOGIOPUPF-DTWKUNHWSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@@H]([NH2+][C@@H](C)CO)c1cccc(-c2nn[n-]n2)c1 ZINC000095245199 635436752 /nfs/dbraw/zinc/43/67/52/635436752.db2.gz PSQMWUOGIOPUPF-DTWKUNHWSA-N 0 3 247.302 0.898 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1CCO ZINC001028151478 635423609 /nfs/dbraw/zinc/42/36/09/635423609.db2.gz TUYNYPJZYGKAIF-GRYCIOLGSA-N 0 3 240.347 0.605 20 0 BCADHN Cc1ncoc1CN[C@@H](C)CN1CCOCC1 ZINC000228148417 635457443 /nfs/dbraw/zinc/45/74/43/635457443.db2.gz RAXBURHQIAHJQH-JTQLQIEISA-N 0 3 239.319 0.793 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@]1(C)CCO[C@H]1C ZINC000232807672 635517597 /nfs/dbraw/zinc/51/75/97/635517597.db2.gz HKELVTNNQIBOCM-WDEREUQCSA-N 0 3 249.376 0.967 20 0 BCADHN CCCS(=O)(=O)CCN[C@H]1C[C@@H](O)C1(C)C ZINC000233255600 635529298 /nfs/dbraw/zinc/52/92/98/635529298.db2.gz UAQPDWLPNLZCSL-VHSXEESVSA-N 0 3 249.376 0.560 20 0 BCADHN CN1CC[C@@H](NCc2cn(C(C)(C)C)nn2)C1 ZINC000234338327 635554417 /nfs/dbraw/zinc/55/44/17/635554417.db2.gz XIRASMIJZGOKKX-SNVBAGLBSA-N 0 3 237.351 0.827 20 0 BCADHN Cc1cc(NC[C@H]2CC[C@@H](O)C2)nc(N)n1 ZINC000235825960 635587725 /nfs/dbraw/zinc/58/77/25/635587725.db2.gz RQMNZCOKRACSPW-DTWKUNHWSA-N 0 3 222.292 0.940 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@H](N)CC(C)C ZINC000236812595 635608448 /nfs/dbraw/zinc/60/84/48/635608448.db2.gz SWEASFZKVRLSTJ-SNVBAGLBSA-N 0 3 244.335 0.819 20 0 BCADHN CCn1cc(CN2CC[C@H](C(N)=O)C2)c(C)n1 ZINC000891439872 631283919 /nfs/dbraw/zinc/28/39/19/631283919.db2.gz GCHQPNPWUOTPKC-JTQLQIEISA-N 0 3 236.319 0.519 20 0 BCADHN NC(=O)[C@H]1CCN(Cc2cnn(C3CCC3)c2)C1 ZINC000891439859 631283754 /nfs/dbraw/zinc/28/37/54/631283754.db2.gz FNHSCHZHWFXIDD-NSHDSACASA-N 0 3 248.330 0.915 20 0 BCADHN 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214.309 0.513 20 0 BCADHN O[C@H](CNCc1cn[nH]c1)c1ccco1 ZINC000308955398 631754209 /nfs/dbraw/zinc/75/42/09/631754209.db2.gz XBKXPBPIHNVFER-SECBINFHSA-N 0 3 207.233 0.826 20 0 BCADHN COCCOC1CCN(CC(OC)OC)CC1 ZINC000161146582 631767525 /nfs/dbraw/zinc/76/75/25/631767525.db2.gz PDEDLYNHQGFTDH-UHFFFAOYSA-N 0 3 247.335 0.733 20 0 BCADHN Cc1nn(C)c(C)c1CNc1ccncc1CO ZINC000892192962 631769522 /nfs/dbraw/zinc/76/95/22/631769522.db2.gz BIRFVHPWJBIMEN-UHFFFAOYSA-N 0 3 246.314 0.958 20 0 BCADHN OC[C@@H](O)CN1CC[C@H](Cc2nccs2)C1 ZINC000934331635 631787230 /nfs/dbraw/zinc/78/72/30/631787230.db2.gz MQDABVXWQXSAMD-ZJUUUORDSA-N 0 3 242.344 0.361 20 0 BCADHN COc1ncc(CN[C@H]2CCN(C)C2)s1 ZINC000309019277 631801946 /nfs/dbraw/zinc/80/19/46/631801946.db2.gz STECLPHMTDJCFG-QMMMGPOBSA-N 0 3 227.333 0.945 20 0 BCADHN NC(=O)N[C@@H]1CCN(Cc2cc[nH]c(=O)c2)C1 ZINC000892244478 631810872 /nfs/dbraw/zinc/81/08/72/631810872.db2.gz JVLSIZLUSVOVBD-SECBINFHSA-N 0 3 236.275 0.030 20 0 BCADHN CCOC(=O)C1CCCN(C2CC2)C1=O 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0.215 20 0 BCADHN COc1cccc(CN[C@@H](CO)C2CC2)n1 ZINC000309716037 632657943 /nfs/dbraw/zinc/65/79/43/632657943.db2.gz SWSDEBCXMUEGFZ-NSHDSACASA-N 0 3 222.288 0.951 20 0 BCADHN COC[C@H](NCC(OC)OC)[C@H]1CCCO1 ZINC000309973006 632688740 /nfs/dbraw/zinc/68/87/40/632688740.db2.gz QPNLUFMCGWAKAW-VHSXEESVSA-N 0 3 233.308 0.389 20 0 BCADHN C[C@@]1(O)CCN(c2ccncc2CO)C1 ZINC000235391016 632689469 /nfs/dbraw/zinc/68/94/69/632689469.db2.gz NRMDAFOQFCEWJD-LLVKDONJSA-N 0 3 208.261 0.535 20 0 BCADHN C[C@H](C[C@H]1CCC(=O)N1)NCc1ccn(C)n1 ZINC000310117536 632701692 /nfs/dbraw/zinc/70/16/92/632701692.db2.gz UHFQNGHWWVMSOT-NXEZZACHSA-N 0 3 236.319 0.567 20 0 BCADHN CCCOC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000310251559 632711968 /nfs/dbraw/zinc/71/19/68/632711968.db2.gz ODVZNFFFRNRBNY-GHMZBOCLSA-N 0 3 242.319 0.986 20 0 BCADHN Cc1cc(N)nc(NCCC[S@](C)=O)n1 ZINC000892449084 632724737 /nfs/dbraw/zinc/72/47/37/632724737.db2.gz LPJJAOMXXXEQJR-HNNXBMFYSA-N 0 3 228.321 0.548 20 0 BCADHN O=C(NC[C@@H]1CCCCN1CCCO)C1CC1 ZINC001024300853 632729263 /nfs/dbraw/zinc/72/92/63/632729263.db2.gz NNSHQTIXNVNKSD-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN Cc1noc(CCNC(=O)[C@H](N)CC2CC2)n1 ZINC000310488190 632749633 /nfs/dbraw/zinc/74/96/33/632749633.db2.gz HCWULGSJQUEXLI-SECBINFHSA-N 0 3 238.291 0.164 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2C(=O)NCC2(C)C)CO1 ZINC000926637955 632757650 /nfs/dbraw/zinc/75/76/50/632757650.db2.gz IBJODYLWZANDKW-VGMNWLOBSA-N 0 3 212.293 0.278 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2C(=O)NCC2(C)C)CO1 ZINC000926637952 632757928 /nfs/dbraw/zinc/75/79/28/632757928.db2.gz IBJODYLWZANDKW-HRDYMLBCSA-N 0 3 212.293 0.278 20 0 BCADHN C[C@H](NCC[S@](C)=O)c1ccnn1C ZINC000235507004 632770778 /nfs/dbraw/zinc/77/07/78/632770778.db2.gz LAHKVVOKNSTNSF-RTHLEPHNSA-N 0 3 215.322 0.449 20 0 BCADHN CC(C)(C)C(=O)CCN1CCC[C@](O)(CO)C1 ZINC000313667796 632776077 /nfs/dbraw/zinc/77/60/77/632776077.db2.gz RTJFXXRNUSIXIV-CYBMUJFWSA-N 0 3 243.347 0.811 20 0 BCADHN COC[C@](C)(O)CNc1nc(C)cc(N)n1 ZINC000892488566 632782983 /nfs/dbraw/zinc/78/29/83/632782983.db2.gz QAQFQCNWWDIITN-SNVBAGLBSA-N 0 3 226.280 0.177 20 0 BCADHN CC(C)CN(C)CC(=O)N1CCO[C@@H](C)C1 ZINC000065961920 632808635 /nfs/dbraw/zinc/80/86/35/632808635.db2.gz QKODKIYLYZZILB-NSHDSACASA-N 0 3 228.336 0.822 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NC[C@@H](O)c1ccccc1 ZINC000924550769 632817989 /nfs/dbraw/zinc/81/79/89/632817989.db2.gz KFPIDBGYPONJDX-VXGBXAGGSA-N 0 3 248.326 0.834 20 0 BCADHN CC(=O)NCCCN(C)[C@H]1CCCCNC1=O ZINC000154950016 632846102 /nfs/dbraw/zinc/84/61/02/632846102.db2.gz MCIAJOGQJBQVQV-NSHDSACASA-N 0 3 241.335 0.113 20 0 BCADHN CO[C@H]1C[C@@H](N(C)c2cc(C)nc(N)n2)C1 ZINC000309259735 632853228 /nfs/dbraw/zinc/85/32/28/632853228.db2.gz HODNLKJGRIIAIF-DTORHVGOSA-N 0 3 222.292 0.981 20 0 BCADHN COCC[C@H](N)C(=O)N1CCC(C)CC1 ZINC000052790611 632894824 /nfs/dbraw/zinc/89/48/24/632894824.db2.gz KZDFGKKEMFEVJD-JTQLQIEISA-N 0 3 214.309 0.609 20 0 BCADHN CCCN(C(=O)[C@H](N)CCOC)C1CC1 ZINC000052791321 632895159 /nfs/dbraw/zinc/89/51/59/632895159.db2.gz RJHRYZJHSLVOLC-SNVBAGLBSA-N 0 3 214.309 0.751 20 0 BCADHN CCCN(C(=O)[C@@H](N)CCOC)C1CC1 ZINC000052791322 632895880 /nfs/dbraw/zinc/89/58/80/632895880.db2.gz RJHRYZJHSLVOLC-JTQLQIEISA-N 0 3 214.309 0.751 20 0 BCADHN CCC(CC)NC(=O)[C@@H](N)CCOC ZINC000052790653 632897506 /nfs/dbraw/zinc/89/75/06/632897506.db2.gz BCIUPBIVYJOBRF-VIFPVBQESA-N 0 3 202.298 0.655 20 0 BCADHN COCC[C@H](N)C(=O)Nc1ccccn1 ZINC000052790662 632897915 /nfs/dbraw/zinc/89/79/15/632897915.db2.gz LXJHHKQKDGGAOS-QMMMGPOBSA-N 0 3 209.249 0.384 20 0 BCADHN COCC[C@H](N)C(=O)N(C)CC(C)(C)C ZINC000052810307 632898875 /nfs/dbraw/zinc/89/88/75/632898875.db2.gz DGAAVRVCOUJXIP-VIFPVBQESA-N 0 3 216.325 0.855 20 0 BCADHN CC[C@@H]1CCCN1C(=O)[C@@H](N)CCOC ZINC000052809168 632899568 /nfs/dbraw/zinc/89/95/68/632899568.db2.gz URYRTQKRUDSGEF-ZJUUUORDSA-N 0 3 214.309 0.751 20 0 BCADHN COC(=O)CC(C)(C)NCC(=O)NC1CC1 ZINC000177925833 632907349 /nfs/dbraw/zinc/90/73/49/632907349.db2.gz WHIPZLHVHIPYPV-UHFFFAOYSA-N 0 3 228.292 0.196 20 0 BCADHN Cc1cc(NCCC2CC(O)C2)nc(N)n1 ZINC000309311778 632921010 /nfs/dbraw/zinc/92/10/10/632921010.db2.gz XFCKQZCKBZROFF-UHFFFAOYSA-N 0 3 222.292 0.940 20 0 BCADHN C[C@@H](N[C@@H](CO)c1ccnn1C)C(C)(C)CO ZINC000926742944 632940804 /nfs/dbraw/zinc/94/08/04/632940804.db2.gz LMETYPMUVKRRLG-ZJUUUORDSA-N 0 3 241.335 0.450 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1C)c1ccnnc1 ZINC000926761042 632998975 /nfs/dbraw/zinc/99/89/75/632998975.db2.gz QZTBQCIBQNQLHM-PWSUYJOCSA-N 0 3 236.319 0.458 20 0 BCADHN C[C@H](NC[C@@](C)(O)C1CC1)c1cnnn1C ZINC000925041849 635867023 /nfs/dbraw/zinc/86/70/23/635867023.db2.gz ZOIQDGGLFDABID-GZMMTYOYSA-N 0 3 224.308 0.627 20 0 BCADHN C[C@@H](NC[C@](C)(O)C1CC1)c1cnnn1C ZINC000925041850 635867062 /nfs/dbraw/zinc/86/70/62/635867062.db2.gz ZOIQDGGLFDABID-KCJUWKMLSA-N 0 3 224.308 0.627 20 0 BCADHN C/C=C\CN[C@@H]1C(=O)NCC12CCOCC2 ZINC000926764221 633006580 /nfs/dbraw/zinc/00/65/80/633006580.db2.gz BYMFVTJADRNPIN-MXQLGCADSA-N 0 3 224.304 0.447 20 0 BCADHN CC[C@@H]1COC[C@@H]1N[C@H](C)C(=O)N(C)OC ZINC000926771407 633020182 /nfs/dbraw/zinc/02/01/82/633020182.db2.gz BRJQJNJMYGIVMP-BBBLOLIVSA-N 0 3 230.308 0.409 20 0 BCADHN Cc1ncc(C(=O)N[C@H]2CCN(C)[C@H]2C)n1C ZINC000928428028 635906123 /nfs/dbraw/zinc/90/61/23/635906123.db2.gz UTNVAFDSJLXKSJ-WPRPVWTQSA-N 0 3 236.319 0.551 20 0 BCADHN CC[C@@H](C)N1CCN(c2cc(=O)[nH]cn2)CC1 ZINC000162839132 633040595 /nfs/dbraw/zinc/04/05/95/633040595.db2.gz PLCPDQWCFSOABR-SNVBAGLBSA-N 0 3 236.319 0.690 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](C)CO2)CCN1C ZINC000928425363 635899107 /nfs/dbraw/zinc/89/91/07/635899107.db2.gz CDXXZNWJTGZQMX-VLEAKVRGSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@@H]1COC[C@H]1NC1CN(c2ccncn2)C1 ZINC000926792718 633078379 /nfs/dbraw/zinc/07/83/79/633078379.db2.gz CBVTVLRJLCCYTH-MWLCHTKSSA-N 0 3 234.303 0.290 20 0 BCADHN CC[C@H]1COC[C@@H]1NC1CN(c2ccncn2)C1 ZINC000926794330 633079412 /nfs/dbraw/zinc/07/94/12/633079412.db2.gz ZEGIMCXXAONLPU-JQWIXIFHSA-N 0 3 248.330 0.680 20 0 BCADHN COCC[C@H](N)C(=O)N1CC[C@H](C(C)C)C1 ZINC000166135640 633107941 /nfs/dbraw/zinc/10/79/41/633107941.db2.gz YCQILLBDSZGRBT-QWRGUYRKSA-N 0 3 228.336 0.855 20 0 BCADHN Cc1cc(N2CC[C@H]([C@@H](C)O)C2)nc(N)n1 ZINC000166180430 633108834 /nfs/dbraw/zinc/10/88/34/633108834.db2.gz RSMBSQGVONAMJE-BDAKNGLRSA-N 0 3 222.292 0.574 20 0 BCADHN COc1c(C)cnc(CNC(=O)[C@@H](C)N)c1C ZINC000166465529 633114112 /nfs/dbraw/zinc/11/41/12/633114112.db2.gz UHCXOSBVWKNRIB-SECBINFHSA-N 0 3 237.303 0.670 20 0 BCADHN C[C@@H](O)CN1CCC[C@@H](NC(=O)CC2CC2)C1 ZINC001006556528 633117249 /nfs/dbraw/zinc/11/72/49/633117249.db2.gz YLABBTUEVVFYSX-ZYHUDNBSSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1cc(N)nc(NC[C@H]2CCC[C@@H]2O)n1 ZINC000892702983 633156553 /nfs/dbraw/zinc/15/65/53/633156553.db2.gz FLCDMSGWPMJOFV-BDAKNGLRSA-N 0 3 222.292 0.940 20 0 BCADHN CCC(=O)COC(=O)COC1CCN(C)CC1 ZINC000923789464 633169442 /nfs/dbraw/zinc/16/94/42/633169442.db2.gz KJNQASAAWPTLBG-UHFFFAOYSA-N 0 3 243.303 0.620 20 0 BCADHN Cc1nonc1CC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928428869 635911343 /nfs/dbraw/zinc/91/13/43/635911343.db2.gz ADCSHLUEXMJPGG-DTWKUNHWSA-N 0 3 238.291 0.129 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)CNc2ccccn2)CCN1C ZINC000928431244 635915165 /nfs/dbraw/zinc/91/51/65/635915165.db2.gz MFYXUDLXCUTUPI-MNOVXSKESA-N 0 3 248.330 0.702 20 0 BCADHN C[C@@H](CC[S@](C)=O)Nc1ccncc1CO ZINC000892721987 633191036 /nfs/dbraw/zinc/19/10/36/633191036.db2.gz VMURNJCRKATRER-FVMDXXJSSA-N 0 3 242.344 0.565 20 0 BCADHN C/C=C\[C@H](O)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928430361 635915841 /nfs/dbraw/zinc/91/58/41/635915841.db2.gz WIZAECURNSUYNF-BXPFHCTGSA-N 0 3 212.293 0.132 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCN1C ZINC000928432528 635921647 /nfs/dbraw/zinc/92/16/47/635921647.db2.gz QOLLEDCFUOZZPZ-JCIQBVFBSA-N 0 3 238.331 0.763 20 0 BCADHN COC(=O)C1(C(=O)N[C@@H]2CCN(C)[C@H]2C)CC1 ZINC000928433543 635927312 /nfs/dbraw/zinc/92/73/12/635927312.db2.gz ADNXENFZHRMXNZ-DTWKUNHWSA-N 0 3 240.303 0.148 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC=CO2)CCN1C ZINC000928433997 635927638 /nfs/dbraw/zinc/92/76/38/635927638.db2.gz CDOLQPUZNWQWGE-VWYCJHECSA-N 0 3 224.304 0.888 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)C2(O)CCC2)CCN1C ZINC000928433923 635928426 /nfs/dbraw/zinc/92/84/26/635928426.db2.gz BJUNLWNBYYCZAP-BDAKNGLRSA-N 0 3 212.293 0.110 20 0 BCADHN COC(=O)C1(C(=O)N[C@H]2CCN(C)[C@H]2C)CC1 ZINC000928433555 635928556 /nfs/dbraw/zinc/92/85/56/635928556.db2.gz ADNXENFZHRMXNZ-IUCAKERBSA-N 0 3 240.303 0.148 20 0 BCADHN C[C@H]1[C@H](NC(=O)C2(C)COC2)CCN1C ZINC000928436651 635932532 /nfs/dbraw/zinc/93/25/32/635932532.db2.gz JVANSAWVGCDQHZ-DTWKUNHWSA-N 0 3 212.293 0.232 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@H]2CCCCO2)CCN1C ZINC000928438829 635934795 /nfs/dbraw/zinc/93/47/95/635934795.db2.gz HPDGDYSBOKZJAR-GMTAPVOTSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H]1NC(=S)N([C@H]2CCCN(C)C2)C1=O ZINC000048843591 635935149 /nfs/dbraw/zinc/93/51/49/635935149.db2.gz FZERFQHZKMHPFI-SFYZADRCSA-N 0 3 227.333 0.186 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cscn2)CCN1C ZINC000928440930 635938373 /nfs/dbraw/zinc/93/83/73/635938373.db2.gz RNWWZQBFUWMCER-HTQZYQBOSA-N 0 3 225.317 0.966 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N[C@H]2CCN(C)[C@H]2C)CO1 ZINC000928440301 635938780 /nfs/dbraw/zinc/93/87/80/635938780.db2.gz KHKWCFNWLGUVSK-RCWTZXSCSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2cscn2)CCN1C ZINC000928440935 635939900 /nfs/dbraw/zinc/93/99/00/635939900.db2.gz RNWWZQBFUWMCER-SFYZADRCSA-N 0 3 225.317 0.966 20 0 BCADHN CCC1(C(=O)N[C@@H]2CCN(C)[C@H]2C)COC1 ZINC000928441219 635940575 /nfs/dbraw/zinc/94/05/75/635940575.db2.gz PELXMZJGEOZFFW-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN C[S@@](=O)CCN1CCC[C@](C)(O)C1 ZINC000306773506 635974798 /nfs/dbraw/zinc/97/47/98/635974798.db2.gz IWAHHNAQSVBKGP-TVQRCGJNSA-N 0 3 205.323 0.212 20 0 BCADHN CCCC[C@@H](COC)NCC(=O)N(C)OC ZINC000895042285 636019570 /nfs/dbraw/zinc/01/95/70/636019570.db2.gz DSOHUVZHIRJGEE-JTQLQIEISA-N 0 3 232.324 0.801 20 0 BCADHN CC(C)(O)CCN1CCC2(C1)OCCO2 ZINC000307068804 635980465 /nfs/dbraw/zinc/98/04/65/635980465.db2.gz XYKZMHROMSLXOT-UHFFFAOYSA-N 0 3 215.293 0.596 20 0 BCADHN CCc1ncc(CNC[C@@H]2COCO2)cn1 ZINC000894880349 635992447 /nfs/dbraw/zinc/99/24/47/635992447.db2.gz CBBRSZBPSSVDPV-SNVBAGLBSA-N 0 3 223.276 0.502 20 0 BCADHN Cc1cnc(C(=O)N[C@H]2CCN(C)[C@H]2C)cn1 ZINC000928457526 635997409 /nfs/dbraw/zinc/99/74/09/635997409.db2.gz QDWJBALOKLPJPH-UWVGGRQHSA-N 0 3 234.303 0.607 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCN1C)N(C)C ZINC000928559765 636102068 /nfs/dbraw/zinc/10/20/68/636102068.db2.gz NQJRACWMDNDMRA-VHSXEESVSA-N 0 3 213.325 0.147 20 0 BCADHN CCN(CC)CC(=O)NCC1(C)OCCO1 ZINC000179014976 636073057 /nfs/dbraw/zinc/07/30/57/636073057.db2.gz QMQVYQYAURDBGN-UHFFFAOYSA-N 0 3 230.308 0.207 20 0 BCADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](N)CCSC ZINC000049375347 636078327 /nfs/dbraw/zinc/07/83/27/636078327.db2.gz PCBREBFUYSCRND-SFYZADRCSA-N 0 3 248.348 0.135 20 0 BCADHN CN(CC(=O)NC[C@@H]1CCN1C)C1CCC1 ZINC000928555101 636092385 /nfs/dbraw/zinc/09/23/85/636092385.db2.gz SITZWDLOKWMOBI-NSHDSACASA-N 0 3 225.336 0.291 20 0 BCADHN C[C@H](NCCC[C@@H]1CCO1)C1N=NC(=O)N1C ZINC000895173377 636114993 /nfs/dbraw/zinc/11/49/93/636114993.db2.gz XYUONECRTMQDCJ-DTWKUNHWSA-N 0 3 240.307 0.740 20 0 BCADHN CC1(C)OCC[C@@H]1NCCS(C)(=O)=O ZINC000328396457 633759989 /nfs/dbraw/zinc/75/99/89/633759989.db2.gz QJUNVMFZWQELNS-QMMMGPOBSA-N 0 3 221.322 0.188 20 0 BCADHN CCN1CCN(C[C@@H]2COCCO2)[C@H](C)C1 ZINC000930453443 633824770 /nfs/dbraw/zinc/82/47/70/633824770.db2.gz UZCDHEZKBSMYJY-VXGBXAGGSA-N 0 3 228.336 0.428 20 0 BCADHN COC(=O)/C(C)=C\CN1CCC[C@@](C)(O)C1 ZINC000228222792 633902363 /nfs/dbraw/zinc/90/23/63/633902363.db2.gz IOBKXADQVVYUOV-DUWGPSABSA-N 0 3 227.304 0.953 20 0 BCADHN C[C@@H]1CN(CC2CN(S(C)(=O)=O)C2)[C@@H]1C ZINC000930581821 633910877 /nfs/dbraw/zinc/91/08/77/633910877.db2.gz IXBACEYKMQXDLG-RKDXNWHRSA-N 0 3 232.349 0.218 20 0 BCADHN CCN(CC(C)C)CN1CC(=O)N(C)C1=O ZINC000182268637 633943048 /nfs/dbraw/zinc/94/30/48/633943048.db2.gz NEUVWAPVMDOSIJ-UHFFFAOYSA-N 0 3 227.308 0.816 20 0 BCADHN O[C@]1(C(F)F)CCN(CCOC2CC2)C1 ZINC000930623893 633947420 /nfs/dbraw/zinc/94/74/20/633947420.db2.gz VSWRVMRQZMADQL-SNVBAGLBSA-N 0 3 221.247 0.867 20 0 BCADHN c1nncn1CN(C[C@H]1CCOC1)C1CC1 ZINC000182571635 633951267 /nfs/dbraw/zinc/95/12/67/633951267.db2.gz NEEFLEJPJYUVDC-SNVBAGLBSA-N 0 3 222.292 0.737 20 0 BCADHN Cc1cc(N)nc(N[C@H]2C[C@H](O)C2(C)C)n1 ZINC000893267054 634013263 /nfs/dbraw/zinc/01/32/63/634013263.db2.gz RRQCXHBYWQEVCM-YUMQZZPRSA-N 0 3 222.292 0.939 20 0 BCADHN C[C@@H](O)[C@H](C)NCc1ccnc(N(C)C)n1 ZINC000309980384 634019722 /nfs/dbraw/zinc/01/97/22/634019722.db2.gz VUQHTKBZXKOCQS-DTWKUNHWSA-N 0 3 224.308 0.402 20 0 BCADHN OC[C@@H]1CN(Cc2ccccc2CF)C[C@H]1O ZINC000930699386 634043574 /nfs/dbraw/zinc/04/35/74/634043574.db2.gz HQBSKHNJXLRSTG-QWHCGFSZSA-N 0 3 239.290 0.941 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2cc(C)nnc2C)C1 ZINC000930752156 634086993 /nfs/dbraw/zinc/08/69/93/634086993.db2.gz SDSWXYRXBKEHFC-LLVKDONJSA-N 0 3 248.330 0.661 20 0 BCADHN C[C@H](O)[C@@H](O)CN1CC[C@@H](O)CC12CCC2 ZINC000930755811 634091873 /nfs/dbraw/zinc/09/18/73/634091873.db2.gz SLNZMLPYTANCJU-AXFHLTTASA-N 0 3 229.320 0.108 20 0 BCADHN CNC(=O)[C@H](C)CN(C)C/C=C(\C)C(=O)OC ZINC000310057581 634118314 /nfs/dbraw/zinc/11/83/14/634118314.db2.gz QQUPHMMDYZXIBK-OLKPEBQYSA-N 0 3 242.319 0.420 20 0 BCADHN O[C@H](CN1C[C@H]2[C@@H](C1)C2(F)F)C1(O)CCC1 ZINC000930864554 634141782 /nfs/dbraw/zinc/14/17/82/634141782.db2.gz NWRNPKZRFQMMGB-HRDYMLBCSA-N 0 3 233.258 0.459 20 0 BCADHN CCOC(=O)/C=C\CN[C@](C)(C(N)=O)C(C)C ZINC000310473866 634149945 /nfs/dbraw/zinc/14/99/45/634149945.db2.gz AKZHYDLVLPJFFU-DGMVEKRQSA-N 0 3 242.319 0.595 20 0 BCADHN Cc1nc(C)c(CN2[C@@H](CO)CC[C@@H]2CO)[nH]1 ZINC000930901518 634163935 /nfs/dbraw/zinc/16/39/35/634163935.db2.gz GMTIKVRCWNYSRK-GHMZBOCLSA-N 0 3 239.319 0.344 20 0 BCADHN CC(=O)CN1[C@H](C)CC[C@@H](C(N)=O)[C@@H]1C ZINC000930911112 634174090 /nfs/dbraw/zinc/17/40/90/634174090.db2.gz JVXNEOZDYBYOMD-FKTZTGRPSA-N 0 3 212.293 0.550 20 0 BCADHN CCC(=O)CCN(C)CC(C)(CO)CO ZINC000190285986 634186195 /nfs/dbraw/zinc/18/61/95/634186195.db2.gz WPAHGLUKTDRHRD-UHFFFAOYSA-N 0 3 217.309 0.278 20 0 BCADHN O=C1CCCC12CCN(C[C@@H](O)CO)CC2 ZINC000931038895 634190936 /nfs/dbraw/zinc/19/09/36/634190936.db2.gz OOBAZZGZEZXQQK-SNVBAGLBSA-N 0 3 227.304 0.175 20 0 BCADHN CN1CCN(CCCc2cccnc2)[C@@H](CO)C1 ZINC000931076918 634211893 /nfs/dbraw/zinc/21/18/93/634211893.db2.gz ZDGDEPJLYJWYQF-CQSZACIVSA-N 0 3 249.358 0.623 20 0 BCADHN CC(=O)N1CC[C@H](CNCc2cc(C)no2)C1 ZINC001026626475 634261639 /nfs/dbraw/zinc/26/16/39/634261639.db2.gz YXZNVDGAZZVHOI-LLVKDONJSA-N 0 3 237.303 0.941 20 0 BCADHN CC1(C)CC(=O)NCCN1Cc1cc[nH]c(=O)c1 ZINC000931202010 634269344 /nfs/dbraw/zinc/26/93/44/634269344.db2.gz APIVUOBYMHGPPO-UHFFFAOYSA-N 0 3 249.314 0.888 20 0 BCADHN CCN1C[C@H](NC(=O)c2cncnc2)C(C)(C)C1 ZINC000974490413 634346559 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HYSIXBOFLQLPEP-JTQLQIEISA-N 0 3 212.293 0.086 20 0 BCADHN CN(CC(=O)N1CC=C[C@@H]1CO)CC(C)(C)C ZINC000922285294 643951008 /nfs/dbraw/zinc/95/10/08/643951008.db2.gz OZKOJMQQZSWZKN-LLVKDONJSA-N 0 3 240.347 0.724 20 0 BCADHN O[C@H]1COCC[C@H]1NCc1cnn(CCF)c1 ZINC000922295905 643959794 /nfs/dbraw/zinc/95/97/94/643959794.db2.gz OWAFEBHQQWWPOP-MNOVXSKESA-N 0 3 243.282 0.092 20 0 BCADHN Cc1noc(CCN[C@H]2C(=O)NCC2(C)C)n1 ZINC000925359560 643994688 /nfs/dbraw/zinc/99/46/88/643994688.db2.gz QBCVVOCZAIADMM-VIFPVBQESA-N 0 3 238.291 0.035 20 0 BCADHN Cc1c[nH]nc1CNCC[C@H]1CC(=O)N(C)C1 ZINC000922488319 644001584 /nfs/dbraw/zinc/00/15/84/644001584.db2.gz RVAIICJSHQNROZ-JTQLQIEISA-N 0 3 236.319 0.676 20 0 BCADHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1cnnn1C ZINC000922509882 644008037 /nfs/dbraw/zinc/00/80/37/644008037.db2.gz CTCRFHJTOSNNLP-CZULRBLNSA-N 0 3 206.293 0.949 20 0 BCADHN NC(=O)CC1CC(NCc2ccncc2F)C1 ZINC000922514655 644011054 /nfs/dbraw/zinc/01/10/54/644011054.db2.gz LVMMEALNNYIDNM-UHFFFAOYSA-N 0 3 237.278 0.964 20 0 BCADHN CO[C@H](C)[C@@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000922541707 644019839 /nfs/dbraw/zinc/01/98/39/644019839.db2.gz SGLFVGPNWVHZOB-LMLFDSFASA-N 0 3 243.351 0.802 20 0 BCADHN COc1nccnc1CN[C@@H]1CCN(C)[C@@H]1C ZINC000922556105 644025886 /nfs/dbraw/zinc/02/58/86/644025886.db2.gz YCNHZQSTFUHGDQ-NXEZZACHSA-N 0 3 236.319 0.667 20 0 BCADHN CN1CC[C@@H]1CNCc1cn(C)nc1Cl ZINC000922574649 644027222 /nfs/dbraw/zinc/02/72/22/644027222.db2.gz OVHHSTWRQPZCDL-SECBINFHSA-N 0 3 228.727 0.867 20 0 BCADHN CCN1CCC[C@@H](NCc2ccc(=O)[nH]c2)C1=O ZINC000922638394 644044907 /nfs/dbraw/zinc/04/49/07/644044907.db2.gz GEUMDVBAGQPBAA-LLVKDONJSA-N 0 3 249.314 0.888 20 0 BCADHN CCN1CCC[C@@H](NCc2cc[nH]c(=O)c2)C1=O ZINC000922638989 644046994 /nfs/dbraw/zinc/04/69/94/644046994.db2.gz JRSCTEBHHNBECW-LLVKDONJSA-N 0 3 249.314 0.888 20 0 BCADHN C[C@@H]1COC[C@H]1NCc1cnc(N(C)C)nc1 ZINC000922642807 644057205 /nfs/dbraw/zinc/05/72/05/644057205.db2.gz YZBMSAKSJSSFGF-MWLCHTKSSA-N 0 3 236.319 0.667 20 0 BCADHN C[C@@H]1[C@H](NC(=O)NOC2CCC2)CCN1C ZINC000922688493 644067044 /nfs/dbraw/zinc/06/70/44/644067044.db2.gz PZEYNTMDIUXMTB-PSASIEDQSA-N 0 3 227.308 0.862 20 0 BCADHN C[C@@H](CNC(=O)N1CCC(=O)[C@H](C)C1)N(C)C ZINC000922739720 644079281 /nfs/dbraw/zinc/07/92/81/644079281.db2.gz SNYXNEBIPRDWGI-ZJUUUORDSA-N 0 3 241.335 0.557 20 0 BCADHN O=C1C[C@@H](CCNCc2ccco2)CN1 ZINC000922784769 644096470 /nfs/dbraw/zinc/09/64/70/644096470.db2.gz NGIFPLMJZUBWHE-SECBINFHSA-N 0 3 208.261 0.895 20 0 BCADHN CS(=O)(=O)C[C@@H](O)CNCc1cccs1 ZINC000922827920 644104182 /nfs/dbraw/zinc/10/41/82/644104182.db2.gz WFGLOEPEQOGWMS-QMMMGPOBSA-N 0 3 249.357 0.243 20 0 BCADHN CCCS(=O)(=O)CCNC(C)(C)COC ZINC000171202945 644175458 /nfs/dbraw/zinc/17/54/58/644175458.db2.gz RJDCDFMQCIRGSH-UHFFFAOYSA-N 0 3 237.365 0.826 20 0 BCADHN CCn1cncc1CNCCO[C@H]1CCOC1 ZINC000922937298 644193275 /nfs/dbraw/zinc/19/32/75/644193275.db2.gz VYLAUEVZBKGDMH-LBPRGKRZSA-N 0 3 239.319 0.798 20 0 BCADHN C=Cn1cc(CNCCO[C@H]2CCOC2)cn1 ZINC000922940069 644194152 /nfs/dbraw/zinc/19/41/52/644194152.db2.gz LLXORIKSAGBYOB-LBPRGKRZSA-N 0 3 237.303 0.879 20 0 BCADHN Cc1ncccc1CNC[C@@H](O)c1ccnn1C ZINC000922972056 644207748 /nfs/dbraw/zinc/20/77/48/644207748.db2.gz DYFDLIUCQHPGEP-CYBMUJFWSA-N 0 3 246.314 0.947 20 0 BCADHN Cc1n[nH]c(CNC[C@H](O)c2ccnn2C)c1C ZINC000922973167 644209027 /nfs/dbraw/zinc/20/90/27/644209027.db2.gz AEAYRNZWUVCFRR-LBPRGKRZSA-N 0 3 249.318 0.583 20 0 BCADHN Cc1ccc(CNC[C@H](O)c2ccnn2C)nc1 ZINC000922972955 644209745 /nfs/dbraw/zinc/20/97/45/644209745.db2.gz CVDOIWUTOKDEGQ-ZDUSSCGKSA-N 0 3 246.314 0.947 20 0 BCADHN Cn1nccc1[C@H](O)CNCc1cccc(O)c1 ZINC000922977085 644211224 /nfs/dbraw/zinc/21/12/24/644211224.db2.gz UPHMOJPMLBRKJA-CYBMUJFWSA-N 0 3 247.298 0.949 20 0 BCADHN Cn1nnc2c1C[C@@H](NCc1cc[nH]n1)CC2 ZINC000922994692 644219823 /nfs/dbraw/zinc/21/98/23/644219823.db2.gz VXOUJWKJHGPADT-QMMMGPOBSA-N 0 3 232.291 0.185 20 0 BCADHN CCn1nccc1CN[C@H]1C[C@H](CO)C1 ZINC000923003982 644227772 /nfs/dbraw/zinc/22/77/72/644227772.db2.gz NMJJZXRXUYEVCI-MGCOHNPYSA-N 0 3 209.293 0.764 20 0 BCADHN COc1cccc(CN[C@H]2C[C@H](CO)C2)n1 ZINC000923003633 644228781 /nfs/dbraw/zinc/22/87/81/644228781.db2.gz IKYNDMGXSNRFRP-HOMQSWHASA-N 0 3 222.288 0.951 20 0 BCADHN Cc1cc(CN[C@H]2C[C@H](CO)C2)n(C)n1 ZINC000923004546 644230080 /nfs/dbraw/zinc/23/00/80/644230080.db2.gz GJFDJWVJCIHZOQ-MGCOHNPYSA-N 0 3 209.293 0.589 20 0 BCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccn1 ZINC000923308701 644346708 /nfs/dbraw/zinc/34/67/08/644346708.db2.gz FKPDUQVLGFGWGX-NWDGAFQWSA-N 0 3 248.330 0.578 20 0 BCADHN C[C@H]1[C@H](NC(=O)NCCOCCF)CCN1C ZINC000923359118 644373637 /nfs/dbraw/zinc/37/36/37/644373637.db2.gz MBFZZOKZKJENAO-VHSXEESVSA-N 0 3 247.314 0.364 20 0 BCADHN N[C@@H]1CN(C[C@@H](O)CC(F)(F)F)CC[C@H]1F ZINC000923396474 644405155 /nfs/dbraw/zinc/40/51/55/644405155.db2.gz ZVMVADUXNPYPIN-XLPZGREQSA-N 0 3 244.232 0.671 20 0 BCADHN C/C=C/CNC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000923457644 644437496 /nfs/dbraw/zinc/43/74/96/644437496.db2.gz WTRFSGMMUYKQAR-NUNSBDKSSA-N 0 3 211.309 0.954 20 0 BCADHN C/C=C\CNC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000923457643 644437542 /nfs/dbraw/zinc/43/75/42/644437542.db2.gz WTRFSGMMUYKQAR-BYIQDMNASA-N 0 3 211.309 0.954 20 0 BCADHN CC[C@H](O)Cn1cc(CNC(C)(C)C)nn1 ZINC000085273544 644438900 /nfs/dbraw/zinc/43/89/00/644438900.db2.gz NSYOMGOQDFZEBH-JTQLQIEISA-N 0 3 226.324 0.937 20 0 BCADHN CO[C@H]1C[C@H](NC(=O)N[C@@H]2CCN(C)[C@@H]2C)C1 ZINC000923476470 644457299 /nfs/dbraw/zinc/45/72/99/644457299.db2.gz GZFMGBSQWWELAH-GWOFURMSSA-N 0 3 241.335 0.556 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H](O)c2ccccc2)[C@H](C)CN1 ZINC000086467826 644467271 /nfs/dbraw/zinc/46/72/71/644467271.db2.gz PWXGEHKZASMBQT-NQBHXWOUSA-N 0 3 248.326 0.929 20 0 BCADHN CN(Cc1cccc(=O)[nH]1)C[C@H]1CNCCO1 ZINC000923554028 644494683 /nfs/dbraw/zinc/49/46/83/644494683.db2.gz LYUKEMSWFYUZIT-LLVKDONJSA-N 0 3 237.303 0.207 20 0 BCADHN CCNC(=O)Cn1cc(CNC(C)(C)C)nn1 ZINC000090298043 644588150 /nfs/dbraw/zinc/58/81/50/644588150.db2.gz UBWVRWMCVTYGDG-UHFFFAOYSA-N 0 3 239.323 0.302 20 0 BCADHN CO[C@@H](C)CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000749738521 644594959 /nfs/dbraw/zinc/59/49/59/644594959.db2.gz AGPNHSBVPGADNW-VHSXEESVSA-N 0 3 226.320 0.764 20 0 BCADHN c1cc(-c2noc(C[C@@H]3CNCCO3)n2)co1 ZINC000091295121 644622723 /nfs/dbraw/zinc/62/27/23/644622723.db2.gz HBOPOSOAQWMWTG-SECBINFHSA-N 0 3 235.243 0.861 20 0 BCADHN CN(C)C1(C(=O)N2CC[C@@](C)(O)C2)CCC1 ZINC000763061534 644654295 /nfs/dbraw/zinc/65/42/95/644654295.db2.gz DYBMWVZLSMQORC-LLVKDONJSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC000763056521 644654537 /nfs/dbraw/zinc/65/45/37/644654537.db2.gz LDVPKWAYLJWKGC-SECBINFHSA-N 0 3 214.309 0.310 20 0 BCADHN CN1CC[C@H](NC(=S)NCc2ccon2)C1 ZINC000764453724 644657271 /nfs/dbraw/zinc/65/72/71/644657271.db2.gz GRNBXXIPUMNDAB-VIFPVBQESA-N 0 3 240.332 0.343 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCO[C@H](C)C2)[C@H]1C ZINC000248370763 644674607 /nfs/dbraw/zinc/67/46/07/644674607.db2.gz XXUSKSIXXDLWDE-TUAOUCFPSA-N 0 3 240.347 0.964 20 0 BCADHN O=C(CC1COC1)N[C@@H]1CCN(C2CC2)C1 ZINC000771626476 644688840 /nfs/dbraw/zinc/68/88/40/644688840.db2.gz LKGXJBQQHVZOLP-SNVBAGLBSA-N 0 3 224.304 0.376 20 0 BCADHN CCC(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC000957977501 644764106 /nfs/dbraw/zinc/76/41/06/644764106.db2.gz FWMRICCGGIDVNN-PJXYFTJBSA-N 0 3 248.330 0.340 20 0 BCADHN COCC[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1C ZINC000252097812 644835357 /nfs/dbraw/zinc/83/53/57/644835357.db2.gz FSZCECKTAXAUFD-AXFHLTTASA-N 0 3 228.336 0.997 20 0 BCADHN CCN(CC(=O)NC)CC1(SC)CC1 ZINC000809545051 644888657 /nfs/dbraw/zinc/88/86/57/644888657.db2.gz GHIJJXHEIHTXKU-UHFFFAOYSA-N 0 3 216.350 0.950 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000304303160 644889134 /nfs/dbraw/zinc/88/91/34/644889134.db2.gz BNSPQVGPOFKVST-WDEREUQCSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCN1CCC[C@H]1C ZINC000252730143 644891414 /nfs/dbraw/zinc/89/14/14/644891414.db2.gz JZIFVYRKEATKLL-GHMZBOCLSA-N 0 3 248.392 0.493 20 0 BCADHN CC1(C)CN(C(=O)[C@H](N)CC2CC2)CCO1 ZINC000304335691 644893951 /nfs/dbraw/zinc/89/39/51/644893951.db2.gz IEDWXSASBBLSKP-SNVBAGLBSA-N 0 3 226.320 0.751 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCc1cccnc1 ZINC000304352268 644895769 /nfs/dbraw/zinc/89/57/69/644895769.db2.gz KYFNKKYHRIVPAB-NSHDSACASA-N 0 3 219.288 0.825 20 0 BCADHN N[C@H](CC1CC1)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000304381571 644898613 /nfs/dbraw/zinc/89/86/13/644898613.db2.gz QWGQTYVSLPZJQZ-GMTAPVOTSA-N 0 3 226.320 0.534 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000304381567 644898868 /nfs/dbraw/zinc/89/88/68/644898868.db2.gz QWGQTYVSLPZJQZ-DCAQKATOSA-N 0 3 226.320 0.534 20 0 BCADHN CCOC(=O)/C=C/CN[C@@](C)(C(N)=O)C(C)C ZINC000304425343 644905592 /nfs/dbraw/zinc/90/55/92/644905592.db2.gz AKZHYDLVLPJFFU-NNNHXZLVSA-N 0 3 242.319 0.595 20 0 BCADHN C[C@H](N)c1cn([C@H]2CCCC[C@H]2O)nn1 ZINC000253152280 644940547 /nfs/dbraw/zinc/94/05/47/644940547.db2.gz IYXFLAJDOPZIPJ-UJNFCWOMSA-N 0 3 210.281 0.774 20 0 BCADHN C[C@@H]1CN(c2ccnc(CO)c2)CC[C@H]1O ZINC000253201559 644944248 /nfs/dbraw/zinc/94/42/48/644944248.db2.gz UOSCYCBVNAPSOV-BXKDBHETSA-N 0 3 222.288 0.781 20 0 BCADHN C[C@@H](O)CCN1CCCC[C@@H]1C1OCCO1 ZINC000827669011 645082851 /nfs/dbraw/zinc/08/28/51/645082851.db2.gz WQWLFUBXHOXUFE-GHMZBOCLSA-N 0 3 229.320 0.985 20 0 BCADHN C[C@H](N)C(=O)Nc1ccn(Cc2ccccn2)n1 ZINC000828044804 645092215 /nfs/dbraw/zinc/09/22/15/645092215.db2.gz DWMDCPLVWPIWBS-VIFPVBQESA-N 0 3 245.286 0.612 20 0 BCADHN CC(C)NC(=O)NCCN1CCN(C)[C@@H](C)C1 ZINC000828103636 645097247 /nfs/dbraw/zinc/09/72/47/645097247.db2.gz UOLQDWUAFQOHBG-NSHDSACASA-N 0 3 242.367 0.330 20 0 BCADHN CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000841856785 645231279 /nfs/dbraw/zinc/23/12/79/645231279.db2.gz PUXUHFAOSYOYKG-NSHDSACASA-N 0 3 249.314 0.845 20 0 BCADHN C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(N)cc1[O-] ZINC000843508672 645294135 /nfs/dbraw/zinc/29/41/35/645294135.db2.gz UIPRNFYMDPYKHN-JGVFFNPUSA-N 0 3 237.303 0.830 20 0 BCADHN C[C@@H]1OC[C@@H](NCCS(=O)(=O)C2CC2)[C@@H]1C ZINC000926587053 645302070 /nfs/dbraw/zinc/30/20/70/645302070.db2.gz HEXGGGWMHFHUAL-WCABBAIRSA-N 0 3 247.360 0.577 20 0 BCADHN CCN1CC[C@@H](N[C@H](C)c2cc(CO)on2)C1 ZINC000926594815 645305516 /nfs/dbraw/zinc/30/55/16/645305516.db2.gz LKGCHXLZKLSZFZ-NXEZZACHSA-N 0 3 239.319 0.912 20 0 BCADHN C[C@H](N[C@@H](CO)C1CCC1)c1cnnn1C ZINC000926681011 645352850 /nfs/dbraw/zinc/35/28/50/645352850.db2.gz UKTMIPWHWLKBHJ-WPRPVWTQSA-N 0 3 224.308 0.627 20 0 BCADHN C[C@@H](N[C@@H](C)c1cnnn1C)C1(CO)CC1 ZINC000926695106 645363294 /nfs/dbraw/zinc/36/32/94/645363294.db2.gz UKOXYRIMLRBCIA-DTWKUNHWSA-N 0 3 224.308 0.627 20 0 BCADHN CCCN1CC[C@H](N[C@@H](C)c2cnn(C)n2)C1 ZINC000926717103 645380724 /nfs/dbraw/zinc/38/07/24/645380724.db2.gz ZOETYKBZAUWPGC-QWRGUYRKSA-N 0 3 237.351 0.950 20 0 BCADHN CO[C@@]1(C)C[C@H]1N[C@@H]1C(=O)NCC1(C)C ZINC000926728085 645386167 /nfs/dbraw/zinc/38/61/67/645386167.db2.gz RJOKXTKTBLWBJC-XLDPMVHQSA-N 0 3 212.293 0.278 20 0 BCADHN CCON(C)C(=O)CNCC1=CCCOC1 ZINC000846063999 645396214 /nfs/dbraw/zinc/39/62/14/645396214.db2.gz ZERCYVVFEPUGCC-UHFFFAOYSA-N 0 3 228.292 0.333 20 0 BCADHN C[C@@H](NCCN(C)CC(F)F)c1cnnn1C ZINC000926776098 645423317 /nfs/dbraw/zinc/42/33/17/645423317.db2.gz NQHLXLQSAAKVMQ-MRVPVSSYSA-N 0 3 247.293 0.663 20 0 BCADHN CONC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000847354583 645428625 /nfs/dbraw/zinc/42/86/25/645428625.db2.gz CPXIAENXNAAOGX-NXEZZACHSA-N 0 3 227.308 0.864 20 0 BCADHN CONC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000847354585 645428862 /nfs/dbraw/zinc/42/88/62/645428862.db2.gz CPXIAENXNAAOGX-VHSXEESVSA-N 0 3 227.308 0.864 20 0 BCADHN C[C@H](N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cnnn1C ZINC000926787398 645432235 /nfs/dbraw/zinc/43/22/35/645432235.db2.gz XDTVLVOZXXPBMD-TZSFNEBQSA-N 0 3 248.330 0.889 20 0 BCADHN C[C@@H]1OC[C@H](NC2CN(c3ccncn3)C2)[C@@H]1C ZINC000926793928 645436377 /nfs/dbraw/zinc/43/63/77/645436377.db2.gz VGAGMAXKXAQCRC-SCVCMEIPSA-N 0 3 248.330 0.678 20 0 BCADHN CC1(C(N)=O)CN(CC[C@@H]2COC(C)(C)O2)C1 ZINC000852205032 645474049 /nfs/dbraw/zinc/47/40/49/645474049.db2.gz UVMDDUIVFWHUAJ-SECBINFHSA-N 0 3 242.319 0.335 20 0 BCADHN COC(=O)CCN1CC[C@H](N2CCOC2=O)C1 ZINC000852430861 645478989 /nfs/dbraw/zinc/47/89/89/645478989.db2.gz MXZQUXZTFYQJQC-VIFPVBQESA-N 0 3 242.275 0.076 20 0 BCADHN COC[C@H](C)N1CC[C@H](N2CCOC2=O)C1 ZINC000852431389 645480431 /nfs/dbraw/zinc/48/04/31/645480431.db2.gz BGUKYQKWOXMPJJ-UWVGGRQHSA-N 0 3 228.292 0.548 20 0 BCADHN CON(C)C(=O)CN1CCC[C@H](C)[C@H]1CCO ZINC000852463738 645481663 /nfs/dbraw/zinc/48/16/63/645481663.db2.gz ZHRWGAGJVZCDIH-WDEREUQCSA-N 0 3 244.335 0.489 20 0 BCADHN CON(C)C(=O)CN1CCC[C@H](C)[C@@H]1CCO ZINC000852463736 645482453 /nfs/dbraw/zinc/48/24/53/645482453.db2.gz ZHRWGAGJVZCDIH-QWRGUYRKSA-N 0 3 244.335 0.489 20 0 BCADHN C[C@H](NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccnnc1 ZINC000926941155 645493861 /nfs/dbraw/zinc/49/38/61/645493861.db2.gz CYCGHJJLCYUPMF-SQNXGDPESA-N 0 3 249.314 0.931 20 0 BCADHN O=C1C[C@@H](CCN[C@H]2CCCc3c[nH]nc32)CN1 ZINC000926980164 645504341 /nfs/dbraw/zinc/50/43/41/645504341.db2.gz OOPPSJVFSQDVRU-KOLCDFICSA-N 0 3 248.330 0.903 20 0 BCADHN CCOCCOCCN[C@@H]1C(=O)NCC1(C)C ZINC000927086141 645543833 /nfs/dbraw/zinc/54/38/33/645543833.db2.gz KZQPWHDNZSXHEA-SNVBAGLBSA-N 0 3 244.335 0.154 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@@H](O)c1ccnn1C ZINC000927137773 645565395 /nfs/dbraw/zinc/56/53/95/645565395.db2.gz XODVUNVHJKPPOR-QPUJVOFHSA-N 0 3 249.318 0.836 20 0 BCADHN CC[C@@H](C(=O)NC1CC(CC(N)=O)C1)N(C)C ZINC000928046502 645689756 /nfs/dbraw/zinc/68/97/56/645689756.db2.gz PCOHJWFXPNEXJF-RTBKNWGFSA-N 0 3 241.335 0.097 20 0 BCADHN CO[C@@H](C)C(=O)OC[C@]1(C)C[C@H](OC)CN1C ZINC000861344116 645692244 /nfs/dbraw/zinc/69/22/44/645692244.db2.gz MKXMGVWKTFHTAG-NHCYSSNCSA-N 0 3 245.319 0.674 20 0 BCADHN CN(C)CCN(C)C(=O)CCc1cn[nH]c1 ZINC000863893534 645708258 /nfs/dbraw/zinc/70/82/58/645708258.db2.gz QDOKGQJGLDADCG-UHFFFAOYSA-N 0 3 224.308 0.362 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1cccnn1 ZINC000863906593 645709466 /nfs/dbraw/zinc/70/94/66/645709466.db2.gz VKAOEPRWMJVQGX-JTQLQIEISA-N 0 3 234.303 0.691 20 0 BCADHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928423826 645736943 /nfs/dbraw/zinc/73/69/43/645736943.db2.gz BVBKFZSRNORCQU-CSYMLDBXSA-N 0 3 240.347 0.866 20 0 BCADHN C[C@H]1[C@@H](NC(=O)C23CC(C2)C3)CCN1C ZINC000928425632 645740811 /nfs/dbraw/zinc/74/08/11/645740811.db2.gz JXNZJFHOAOCWEO-ZSWLNHAKSA-N 0 3 208.305 0.995 20 0 BCADHN C[C@H](C(=O)N[C@H]1CCN(C)[C@H]1C)c1cnccn1 ZINC000928428784 645744182 /nfs/dbraw/zinc/74/41/82/645744182.db2.gz YWRPSFKRERTKJH-DCAQKATOSA-N 0 3 248.330 0.789 20 0 BCADHN CCO[C@H](C)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928453293 645778386 /nfs/dbraw/zinc/77/83/86/645778386.db2.gz IUZHQOPTBBXCIC-OPRDCNLKSA-N 0 3 214.309 0.620 20 0 BCADHN COCC(C)(C)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928432481 645746419 /nfs/dbraw/zinc/74/64/19/645746419.db2.gz FLPMUWPQBMWEBZ-VHSXEESVSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2ccsn2)CCN1C ZINC000928431313 645747015 /nfs/dbraw/zinc/74/70/15/645747015.db2.gz DDUCFDBHWFOMQS-SFYZADRCSA-N 0 3 225.317 0.966 20 0 BCADHN C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN1C ZINC000928430498 645747066 /nfs/dbraw/zinc/74/70/66/645747066.db2.gz XTVHPTWWEXUBIV-ZDCRXTMVSA-N 0 3 248.330 0.722 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2cn(C)cn2)CCN1C ZINC000928441104 645747224 /nfs/dbraw/zinc/74/72/24/645747224.db2.gz OUFAESYXUYDOMQ-IUCAKERBSA-N 0 3 222.292 0.243 20 0 BCADHN COC1(C(=O)N[C@H]2CCN(C)[C@H]2C)CC1 ZINC000928429686 645748080 /nfs/dbraw/zinc/74/80/80/645748080.db2.gz CYNWJBVHIRRINK-IUCAKERBSA-N 0 3 212.293 0.374 20 0 BCADHN COCC(C)(C)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928432474 645748447 /nfs/dbraw/zinc/74/84/47/645748447.db2.gz FLPMUWPQBMWEBZ-NXEZZACHSA-N 0 3 228.336 0.868 20 0 BCADHN COCC1(C(=O)N[C@@H]2CCN(C)[C@@H]2C)CC1 ZINC000928436013 645752215 /nfs/dbraw/zinc/75/22/15/645752215.db2.gz IFHCYPKTZMJFCO-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2cncn2C)CCN1C ZINC000928438000 645755288 /nfs/dbraw/zinc/75/52/88/645755288.db2.gz FSDYJDXQKGIFDB-IUCAKERBSA-N 0 3 222.292 0.243 20 0 BCADHN Cc1ncc(C(=O)N[C@H]2CCN(C)[C@@H]2C)c(C)n1 ZINC000928436130 645756700 /nfs/dbraw/zinc/75/67/00/645756700.db2.gz ISAKWQFUAFDSIS-SKDRFNHKSA-N 0 3 248.330 0.916 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@H]2CCCOC2)CCN1C ZINC000928438277 645757278 /nfs/dbraw/zinc/75/72/78/645757278.db2.gz DQONPVZSWILOBW-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN CCON(CC)C(=O)CN[C@@H](C)[C@@H](C)OC ZINC000877650239 645806905 /nfs/dbraw/zinc/80/69/05/645806905.db2.gz HFAFCGPNMCYDRQ-VHSXEESVSA-N 0 3 232.324 0.799 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCN1C ZINC000928441065 645764179 /nfs/dbraw/zinc/76/41/79/645764179.db2.gz SBSAHGBBJLLREG-RQJHMYQMSA-N 0 3 241.316 0.671 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@](C)(O)C2CC2)CCN1C ZINC000928439476 645764284 /nfs/dbraw/zinc/76/42/84/645764284.db2.gz WTBBGDVHHDGSNX-HLUHBDAQSA-N 0 3 226.320 0.356 20 0 BCADHN Cc1nccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)n1 ZINC000928444230 645767900 /nfs/dbraw/zinc/76/79/00/645767900.db2.gz JXCQDWAUXPUQTL-WCBMZHEXSA-N 0 3 234.303 0.607 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@H]2CCSC2)CCN1C ZINC000928444121 645769630 /nfs/dbraw/zinc/76/96/30/645769630.db2.gz XOEGHDDQVLTKIS-OPRDCNLKSA-N 0 3 228.361 0.948 20 0 BCADHN COc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cn1 ZINC000928448205 645772402 /nfs/dbraw/zinc/77/24/02/645772402.db2.gz BIAMHTLRMAOHDN-KOLCDFICSA-N 0 3 249.314 0.913 20 0 BCADHN CCn1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cn1 ZINC000928446949 645773601 /nfs/dbraw/zinc/77/36/01/645773601.db2.gz HOZZNXCYIBFKOG-KOLCDFICSA-N 0 3 236.319 0.725 20 0 BCADHN Cc1nnccc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928445988 645774606 /nfs/dbraw/zinc/77/46/06/645774606.db2.gz UWRSZDZGKUITNJ-KOLCDFICSA-N 0 3 234.303 0.607 20 0 BCADHN Cc1ncc(C(=O)N[C@H]2CCN(C)[C@@H]2C)[nH]1 ZINC000928449606 645776242 /nfs/dbraw/zinc/77/62/42/645776242.db2.gz RFXACEUJAPLZOG-APPZFPTMSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1c(C(=O)N[C@H]2CCN(C)[C@@H]2C)cnn1C ZINC000928452262 645776345 /nfs/dbraw/zinc/77/63/45/645776345.db2.gz LYVZOCFXLZZTKV-KOLCDFICSA-N 0 3 236.319 0.551 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2cccn2C)CCN1C ZINC000928452243 645776754 /nfs/dbraw/zinc/77/67/54/645776754.db2.gz LVBQMGLDHCMMLW-UWVGGRQHSA-N 0 3 221.304 0.848 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cccn2C)CCN1C ZINC000928452241 645778042 /nfs/dbraw/zinc/77/80/42/645778042.db2.gz LVBQMGLDHCMMLW-NXEZZACHSA-N 0 3 221.304 0.848 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cc[n+]([O-])cc2)CCN1C ZINC000928454331 645779107 /nfs/dbraw/zinc/77/91/07/645779107.db2.gz BYJKDUFBFNUQHU-MWLCHTKSSA-N 0 3 235.287 0.142 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2ccc[n+]([O-])c2)CCN1C ZINC000928456560 645783006 /nfs/dbraw/zinc/78/30/06/645783006.db2.gz NCTAWVSJKSFDIA-MWLCHTKSSA-N 0 3 235.287 0.142 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CS[C@H](C)C1 ZINC000877606378 645801355 /nfs/dbraw/zinc/80/13/55/645801355.db2.gz ADIGBBJOWSOXHH-BDAKNGLRSA-N 0 3 232.349 0.880 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)[C@@H](C)OC ZINC000877608630 645802450 /nfs/dbraw/zinc/80/24/50/645802450.db2.gz XSLKUQCCHANMDM-RKDXNWHRSA-N 0 3 218.297 0.409 20 0 BCADHN Cc1cncn1CC(=O)NC[C@H]1CCN1C ZINC000928550430 645803088 /nfs/dbraw/zinc/80/30/88/645803088.db2.gz VWGSEHJGOCUMQE-SNVBAGLBSA-N 0 3 222.292 0.012 20 0 BCADHN CC(C)[C@@H](O)CCN[C@@H](CO)c1cnn(C)c1 ZINC000878423025 645813020 /nfs/dbraw/zinc/81/30/20/645813020.db2.gz PIIJONSELSBXBZ-RYUDHWBXSA-N 0 3 241.335 0.450 20 0 BCADHN CN1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000928558525 645816225 /nfs/dbraw/zinc/81/62/25/645816225.db2.gz WZUJKZMEBMROMG-NEPJUHHUSA-N 0 3 237.347 0.434 20 0 BCADHN CC(C)(/C=C/Cl)NS(=O)(=O)C1CNC1 ZINC000923676770 645818785 /nfs/dbraw/zinc/81/87/85/645818785.db2.gz MZRKWRZNOZUAAX-ONEGZZNKSA-N 0 3 238.740 0.409 20 0 BCADHN O=C1NCC[C@H]2CCCN(CCn3ccnc3)[C@@H]12 ZINC000880524554 645834583 /nfs/dbraw/zinc/83/45/83/645834583.db2.gz BIIFLMGIIFMGBC-VXGBXAGGSA-N 0 3 248.330 0.484 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCc1ccc(F)cn1 ZINC000884222675 645871061 /nfs/dbraw/zinc/87/10/61/645871061.db2.gz WZKIRJNOSCCUDN-LLVKDONJSA-N 0 3 237.278 0.964 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1COC[C@H]1C ZINC000928900372 645884009 /nfs/dbraw/zinc/88/40/09/645884009.db2.gz CTFQAJXLFLZDCG-NXEZZACHSA-N 0 3 214.309 0.479 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H]1COC[C@H]1C)N(C)C ZINC000928907451 645887041 /nfs/dbraw/zinc/88/70/41/645887041.db2.gz ULXZBUVWJHGTCA-VWYCJHECSA-N 0 3 228.336 0.724 20 0 BCADHN C[C@H](NC[C@@H](O)c1ccccc1)C(=O)N(C)C ZINC000035114561 645937872 /nfs/dbraw/zinc/93/78/72/645937872.db2.gz UNQUSZOWYOPNNU-CMPLNLGQSA-N 0 3 236.315 0.786 20 0 BCADHN COCCNC(=O)[C@@H]1CCCN1C(C)C ZINC000929102552 645942967 /nfs/dbraw/zinc/94/29/67/645942967.db2.gz PWKBZJDTLIBEOS-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN O=S(=O)(NCC1CCC=CCC1)C1CNC1 ZINC000923729836 645955447 /nfs/dbraw/zinc/95/54/47/645955447.db2.gz CBZQWWRZNUCBRZ-UHFFFAOYSA-N 0 3 244.360 0.624 20 0 BCADHN C[C@@H](O)[C@@H](O)CN(C)Cc1cccs1 ZINC000929208119 646005232 /nfs/dbraw/zinc/00/52/32/646005232.db2.gz SFKQZSWBXNNLMQ-SCZZXKLOSA-N 0 3 215.318 0.922 20 0 BCADHN C[C@H](O)[C@H](O)CN(C)CCOc1ccccc1 ZINC000929207721 646005304 /nfs/dbraw/zinc/00/53/04/646005304.db2.gz VOSMIGXRYYLOAF-WCQYABFASA-N 0 3 239.315 0.739 20 0 BCADHN C[C@@H](O)[C@@H](O)CN(C)Cc1ccccc1 ZINC000929212950 646008390 /nfs/dbraw/zinc/00/83/90/646008390.db2.gz VYJYVNIIGIBMAH-PWSUYJOCSA-N 0 3 209.289 0.860 20 0 BCADHN Cn1cnc(/C=C\C(=O)N2CCCN(C)CC2)c1 ZINC000929224001 646022777 /nfs/dbraw/zinc/02/27/77/646022777.db2.gz GCFOJRVSJLKTTD-PLNGDYQASA-N 0 3 248.330 0.597 20 0 BCADHN COc1ccc2c(c1)C[C@H](CN(C)CCO)O2 ZINC000929245671 646030045 /nfs/dbraw/zinc/03/00/45/646030045.db2.gz ZUQNIZQPKHTTMK-GFCCVEGCSA-N 0 3 237.299 0.923 20 0 BCADHN CON1CC[C@@H](N2C3CCC2CC3)C1=O ZINC000929247836 646030203 /nfs/dbraw/zinc/03/02/03/646030203.db2.gz BZSBNQPADYFJFF-UDNWOFFPSA-N 0 3 210.277 0.776 20 0 BCADHN CON1CC[C@H](N2C3CCC2CC3)C1=O ZINC000929247835 646030726 /nfs/dbraw/zinc/03/07/26/646030726.db2.gz BZSBNQPADYFJFF-RTBKNWGFSA-N 0 3 210.277 0.776 20 0 BCADHN CN(C)C[C@H]1NC(=O)N(C2CCCC2)C1=O ZINC000924431743 646034765 /nfs/dbraw/zinc/03/47/65/646034765.db2.gz XTTBSRFOBXAYJA-SECBINFHSA-N 0 3 225.292 0.411 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N(Cc2cccnc2)C1=O ZINC000924431118 646035426 /nfs/dbraw/zinc/03/54/26/646035426.db2.gz YUOLFDHQTYAVIL-JTQLQIEISA-N 0 3 248.286 0.064 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N(C2CCCC2)C1=O ZINC000924431746 646035947 /nfs/dbraw/zinc/03/59/47/646035947.db2.gz XTTBSRFOBXAYJA-VIFPVBQESA-N 0 3 225.292 0.411 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000924433131 646037979 /nfs/dbraw/zinc/03/79/79/646037979.db2.gz VEHGHOVWVWHUKW-NSHDSACASA-N 0 3 247.298 0.669 20 0 BCADHN CN(C)C[C@H]1NC(=O)N(Cc2ccoc2)C1=O ZINC000924478877 646040388 /nfs/dbraw/zinc/04/03/88/646040388.db2.gz RGYXOLREIYLCQN-SECBINFHSA-N 0 3 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CC(C)CCCNC(=O)[C@@H](N)CN(C)C ZINC000702393848 712050030 /nfs/dbraw/zinc/05/00/30/712050030.db2.gz KGELJUJLTXFENI-JTQLQIEISA-N 0 3 215.341 0.428 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@H]1CCCCC1(C)C ZINC000702339513 712048134 /nfs/dbraw/zinc/04/81/34/712048134.db2.gz REFFLOXZUSPBBA-QWRGUYRKSA-N 0 3 241.379 0.960 20 0 BCADHN C[C@@H](N(C)C(=O)[C@@H](N)CN(C)C)C(C)(C)C ZINC000702368366 712048361 /nfs/dbraw/zinc/04/83/61/712048361.db2.gz HTKYLCQQSOSYMA-ZJUUUORDSA-N 0 3 229.368 0.768 20 0 BCADHN CC(C)n1nccc1NC(=O)[C@@H](N)CN(C)C ZINC000702381756 712049093 /nfs/dbraw/zinc/04/90/93/712049093.db2.gz UIVXGAMKCVVDCZ-VIFPVBQESA-N 0 3 239.323 0.291 20 0 BCADHN C[C@H](CNC(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000702380949 712049518 /nfs/dbraw/zinc/04/95/18/712049518.db2.gz RZVOSGACQQNIJV-SCZZXKLOSA-N 0 3 213.325 0.038 20 0 BCADHN CSCC[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702415235 712051360 /nfs/dbraw/zinc/05/13/60/712051360.db2.gz SOBLDECLQQMPDT-IUCAKERBSA-N 0 3 233.381 0.133 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC(C1CC1)C1CC1 ZINC000702413179 712051702 /nfs/dbraw/zinc/05/17/02/712051702.db2.gz FTMGYWKKTPFXQK-JTQLQIEISA-N 0 3 225.336 0.180 20 0 BCADHN CC1(C(=O)N[C@H]2CCCCN(CCO)C2)CC1 ZINC001034226590 712053258 /nfs/dbraw/zinc/05/32/58/712053258.db2.gz RIECIVKJPVONPI-NSHDSACASA-N 0 3 240.347 0.750 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@@H]2CNOC2)C1(C)C ZINC000703349021 712072720 /nfs/dbraw/zinc/07/27/20/712072720.db2.gz FWVFNEWWAAQIAE-KXUCPTDWSA-N 0 3 214.309 0.683 20 0 BCADHN COC[C@@H](C)OC(=O)NC[C@H]1CCCN1C ZINC000704404782 712106515 /nfs/dbraw/zinc/10/65/15/712106515.db2.gz LNNQUAWFORNCOQ-NXEZZACHSA-N 0 3 230.308 0.842 20 0 BCADHN CCOC(=O)[C@H](C)NC(=O)[C@H](N)CCC(C)C ZINC000704444856 712108225 /nfs/dbraw/zinc/10/82/25/712108225.db2.gz TZMBNTNCIOBGDC-VHSXEESVSA-N 0 3 244.335 0.818 20 0 BCADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(C)C ZINC000704444850 712108326 /nfs/dbraw/zinc/10/83/26/712108326.db2.gz TZMBNTNCIOBGDC-UWVGGRQHSA-N 0 3 244.335 0.818 20 0 BCADHN CC[C@H](N)C(=O)NCC[C@H]1CCSC1 ZINC000704767966 712115811 /nfs/dbraw/zinc/11/58/11/712115811.db2.gz IZHBGOVJDPGOOO-IUCAKERBSA-N 0 3 216.350 0.983 20 0 BCADHN CC(C)[C@H]1CCCCN1C(=O)[C@@H](N)CN(C)C ZINC000705438110 712131436 /nfs/dbraw/zinc/13/14/36/712131436.db2.gz FXRCSNFFYKBXKC-NWDGAFQWSA-N 0 3 241.379 0.912 20 0 BCADHN Cc1noc(CN(C)C(=O)[C@H](N)CC2CC2)n1 ZINC000706706129 712152606 /nfs/dbraw/zinc/15/26/06/712152606.db2.gz DZPRADLDXNZNMH-SECBINFHSA-N 0 3 238.291 0.464 20 0 BCADHN COCC[C@H](N)C(=O)N1CCO[C@H](C(C)C)C1 ZINC000708989799 712205128 /nfs/dbraw/zinc/20/51/28/712205128.db2.gz IBGDAFUOXZZGSR-QWRGUYRKSA-N 0 3 244.335 0.234 20 0 BCADHN C[C@@H]1COC[C@@H]1NCC(=O)NC(C)(C)C ZINC000710882371 712261603 /nfs/dbraw/zinc/26/16/03/712261603.db2.gz IQOIWHPCVCTQAF-BDAKNGLRSA-N 0 3 214.309 0.526 20 0 BCADHN OC[C@H](O)CN1CC[C@H](c2nccs2)C1 ZINC000710672426 712265129 /nfs/dbraw/zinc/26/51/29/712265129.db2.gz YORSTSMEWUXPPJ-DTWKUNHWSA-N 0 3 228.317 0.286 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@@H]1C[C@H](O)C1(C)C ZINC000710944513 712267220 /nfs/dbraw/zinc/26/72/20/712267220.db2.gz CNSLIGXLEZGJLU-AEJSXWLSSA-N 0 3 229.320 0.887 20 0 BCADHN COC1(OC)CC[C@@H]1NC[C@H]1COCCO1 ZINC000710960047 712268261 /nfs/dbraw/zinc/26/82/61/712268261.db2.gz LZSJDKVELVOPHO-UWVGGRQHSA-N 0 3 231.292 0.143 20 0 BCADHN CC[S@@](=O)CCN[C@H]1CCC1(OC)OC ZINC000710960152 712268411 /nfs/dbraw/zinc/26/84/11/712268411.db2.gz MVEBMBOFMOPYQN-BJOHPYRUSA-N 0 3 235.349 0.496 20 0 BCADHN CC[C@H]1C[C@@H](N[C@@H]2CS(=O)(=O)C[C@@H]2C)CO1 ZINC000711785661 712329955 /nfs/dbraw/zinc/32/99/55/712329955.db2.gz OVDYHCOVMJUSCE-ZRUFSTJUSA-N 0 3 247.360 0.577 20 0 BCADHN CO[C@@H](CNCCS(=O)(=O)C(C)C)C1CC1 ZINC000378746415 712359046 /nfs/dbraw/zinc/35/90/46/712359046.db2.gz MATSCRPNEXWFAG-NSHDSACASA-N 0 3 249.376 0.824 20 0 BCADHN CC(C)[C@H](C)C(=O)NOCCN(C)C ZINC000379100530 712369398 /nfs/dbraw/zinc/36/93/98/712369398.db2.gz OMCGMSHIMYYDSK-VIFPVBQESA-N 0 3 202.298 0.888 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)CC[C@@H]1CCCCO1 ZINC000379070964 712369401 /nfs/dbraw/zinc/36/94/01/712369401.db2.gz ZWIFMHAXTQIMSH-NSHDSACASA-N 0 3 244.335 0.945 20 0 BCADHN C[C@@H]1COCC[C@@H]1C(=O)NOCCN(C)C ZINC000379195884 712370914 /nfs/dbraw/zinc/37/09/14/712370914.db2.gz XBPOEGSYXUJSSN-ZJUUUORDSA-N 0 3 230.308 0.268 20 0 BCADHN CSCCC(=O)OCC(C)[N+](=O)[O-] ZINC000379357948 712375812 /nfs/dbraw/zinc/37/58/12/712375812.db2.gz TYCABVMGLUFTHD-ZCFIWIBFSA-N 0 3 207.251 0.948 20 0 BCADHN CSC[C@@H](C)NC(=O)[C@@H](N)CC1CC1 ZINC000379486985 712385757 /nfs/dbraw/zinc/38/57/57/712385757.db2.gz JYDJTGYAOSCWGU-APPZFPTMSA-N 0 3 216.350 0.982 20 0 BCADHN C[S@@](=O)CCNC[C@](C)(O)C(F)(F)F ZINC000379628751 712390964 /nfs/dbraw/zinc/39/09/64/712390964.db2.gz LPGFFEKFBLWEIY-DXRPGJJCSA-N 0 3 233.255 0.268 20 0 BCADHN CCN1CC[C@H]1CNCc1nccn1C ZINC000712535241 712442662 /nfs/dbraw/zinc/44/26/62/712442662.db2.gz MPCSQGIOJATVAF-JTQLQIEISA-N 0 3 208.309 0.604 20 0 BCADHN CC(C)NC(=O)CNC[C@H]1COC(C)(C)O1 ZINC000715065528 712505038 /nfs/dbraw/zinc/50/50/38/712505038.db2.gz ISNVSABGIRXYSE-VIFPVBQESA-N 0 3 230.308 0.252 20 0 BCADHN C[C@@H](NCC[C@@H]1CCOC1)c1cn(C)nn1 ZINC000715874960 712538140 /nfs/dbraw/zinc/53/81/40/712538140.db2.gz BPKSOWQTYDGJRS-NXEZZACHSA-N 0 3 224.308 0.892 20 0 BCADHN CC(C)[C@@H](CCO)N[C@H](C)c1cn(C)nn1 ZINC000715878999 712539316 /nfs/dbraw/zinc/53/93/16/712539316.db2.gz RIDKEJFUPVJDAL-NXEZZACHSA-N 0 3 226.324 0.873 20 0 BCADHN CC[C@H](C)CN(C)S(=O)(=O)N1CCNCC1 ZINC000037173623 712550178 /nfs/dbraw/zinc/55/01/78/712550178.db2.gz ISCWIPOCEQQDHE-JTQLQIEISA-N 0 3 249.380 0.114 20 0 BCADHN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNS(=O)(=O)C1CNC1 ZINC000717034283 712615890 /nfs/dbraw/zinc/61/58/90/712615890.db2.gz LHXBSDGEVNJKOZ-DEKFOEGESA-N 0 3 244.360 0.170 20 0 BCADHN Cc1cc(NCCC(C)(C)O)nc(N)n1 ZINC000379889955 712620925 /nfs/dbraw/zinc/62/09/25/712620925.db2.gz ZVSBEQURAKMGNJ-UHFFFAOYSA-N 0 3 210.281 0.192 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCC1(CO)CC1 ZINC000379915678 712626490 /nfs/dbraw/zinc/62/64/90/712626490.db2.gz PFLHNKSIYUPAHR-SECBINFHSA-N 0 3 212.293 0.003 20 0 BCADHN COc1ccccc1CNC[C@H](O)[C@H](C)O ZINC000717309479 712646195 /nfs/dbraw/zinc/64/61/95/712646195.db2.gz UJGPWSPRUUJHOP-ONGXEEELSA-N 0 3 225.288 0.527 20 0 BCADHN Cc1cc(N[C@H](CO)C2CCC2)nc(N)n1 ZINC000717618200 712662827 /nfs/dbraw/zinc/66/28/27/712662827.db2.gz LFSCQRILYKREIW-SECBINFHSA-N 0 3 222.292 0.940 20 0 BCADHN CC[C@H]1CCN(CCS(N)(=O)=O)C1 ZINC000388867437 712670817 /nfs/dbraw/zinc/67/08/17/712670817.db2.gz GBTGBZLLUOWJTK-QMMMGPOBSA-N 0 3 206.311 0.007 20 0 BCADHN NC(=O)CC1CC(NCc2ccccn2)C1 ZINC000718397808 712757009 /nfs/dbraw/zinc/75/70/09/712757009.db2.gz JXLAVJLWLFBIII-UHFFFAOYSA-N 0 3 219.288 0.825 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N2CCNC(C)(C)C2)C1 ZINC000718556714 712769612 /nfs/dbraw/zinc/76/96/12/712769612.db2.gz CGTUNXLVJNGXKQ-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN c1n[nH]cc1CN1CC[C@@H](C2OCCO2)C1 ZINC000719076650 712795304 /nfs/dbraw/zinc/79/53/04/712795304.db2.gz MCKLSHAGNZBQHG-SNVBAGLBSA-N 0 3 223.276 0.605 20 0 BCADHN c1cc(CN2CC[C@H](C3OCCO3)C2)on1 ZINC000719074826 712795756 /nfs/dbraw/zinc/79/57/56/712795756.db2.gz FRRRTQCQQZJFBT-VIFPVBQESA-N 0 3 224.260 0.869 20 0 BCADHN Cn1ncc(CN)c1C(=O)NCC1=CCCC1 ZINC000719212444 712799978 /nfs/dbraw/zinc/79/99/78/712799978.db2.gz NKABGWGDEOMEEC-UHFFFAOYSA-N 0 3 234.303 0.719 20 0 BCADHN C[C@H]1C[C@H]1CNC(=O)c1c(CN)cnn1C ZINC000719257060 712802198 /nfs/dbraw/zinc/80/21/98/712802198.db2.gz PZMDSQXBVOBSPT-YUMQZZPRSA-N 0 3 222.292 0.265 20 0 BCADHN CS[C@@H](C)CNC(=O)c1c(CN)cnn1C ZINC000719281078 712803257 /nfs/dbraw/zinc/80/32/57/712803257.db2.gz OHHHVFFGCKYECO-ZETCQYMHSA-N 0 3 242.348 0.360 20 0 BCADHN Cc1nc(N)nc(N[C@H]2CCN(C)[C@@H]2C)n1 ZINC000719350364 712805335 /nfs/dbraw/zinc/80/53/35/712805335.db2.gz SPLLUDFEYRMPBM-SVRRBLITSA-N 0 3 222.296 0.267 20 0 BCADHN CCCNC(=S)N[C@@H]1CCN(C)[C@@H]1C ZINC000719368229 712805659 /nfs/dbraw/zinc/80/56/59/712805659.db2.gz VFXLPRCTFABKFC-RKDXNWHRSA-N 0 3 215.366 0.953 20 0 BCADHN C[C@H]1[C@H](NC(=O)NCC2CC2)CCN1C ZINC000719375173 712806621 /nfs/dbraw/zinc/80/66/21/712806621.db2.gz XIKFPHLLRSUGQU-WCBMZHEXSA-N 0 3 211.309 0.788 20 0 BCADHN C[C@@H]1[C@H](Nc2cc(=O)[n-]cn2)CC[N@@H+]1C ZINC000719569638 712811249 /nfs/dbraw/zinc/81/12/49/712811249.db2.gz LEQXIXCWQNDBNP-HTQZYQBOSA-N 0 3 208.265 0.687 20 0 BCADHN C[C@@H]1[C@H](Nc2cc(=O)[n-]cn2)CC[N@H+]1C ZINC000719569638 712811251 /nfs/dbraw/zinc/81/12/51/712811251.db2.gz LEQXIXCWQNDBNP-HTQZYQBOSA-N 0 3 208.265 0.687 20 0 BCADHN CCn1cc(CN[C@@H]2CCN(C)[C@@H]2C)nn1 ZINC000719573022 712811689 /nfs/dbraw/zinc/81/16/89/712811689.db2.gz WHUNVRBCEDSRLD-MWLCHTKSSA-N 0 3 223.324 0.480 20 0 BCADHN C[C@H](CO)N(C)CCc1ccns1 ZINC000719844255 712825491 /nfs/dbraw/zinc/82/54/91/712825491.db2.gz HPJHVLSXLAGGMG-MRVPVSSYSA-N 0 3 200.307 0.998 20 0 BCADHN C[C@H](O)CN(C)CCc1ccns1 ZINC000719847438 712825971 /nfs/dbraw/zinc/82/59/71/712825971.db2.gz ZIIVUSHGFHOXCB-QMMMGPOBSA-N 0 3 200.307 0.998 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)C(C)(C)O ZINC000720841691 712870264 /nfs/dbraw/zinc/87/02/64/712870264.db2.gz UMFGPXKXFRBDJO-NXEZZACHSA-N 0 3 226.320 0.452 20 0 BCADHN CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720879171 712872839 /nfs/dbraw/zinc/87/28/39/712872839.db2.gz VNIZYTIPBLMDGN-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN COc1cc(NC(=O)[C@H](C)N)ccc1N ZINC000381337342 710623822 /nfs/dbraw/zinc/62/38/22/710623822.db2.gz WEJHDRFUHITIAV-LURJTMIESA-N 0 3 209.249 0.563 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1cc(C)nn1C ZINC000381452211 710638465 /nfs/dbraw/zinc/63/84/65/710638465.db2.gz HWFIAYINSJIEQO-UWVGGRQHSA-N 0 3 227.308 0.386 20 0 BCADHN C[C@H](N)C(=O)NCCNc1ccccc1 ZINC000381493988 710646036 /nfs/dbraw/zinc/64/60/36/710646036.db2.gz ZMNSSNKDOCKFED-VIFPVBQESA-N 0 3 207.277 0.562 20 0 BCADHN CO[C@@H](C)CC(=O)N1CCNCC1(C)C ZINC000381587273 710658428 /nfs/dbraw/zinc/65/84/28/710658428.db2.gz IBFWUYDGOBDEEW-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN C/C=C(\C)C(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001018692154 710667740 /nfs/dbraw/zinc/66/77/40/710667740.db2.gz DANNWKALMUJTFJ-DQRKKKBRSA-N 0 3 239.319 0.017 20 0 BCADHN O=C(Cc1ccoc1)N1CC[C@H](NCCF)C1 ZINC001018755851 710668798 /nfs/dbraw/zinc/66/87/98/710668798.db2.gz GLICHWDBVIKTCX-NSHDSACASA-N 0 3 240.278 0.982 20 0 BCADHN CCCN1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001038842801 710711078 /nfs/dbraw/zinc/71/10/78/710711078.db2.gz WFAVSMXRUZEGOS-MRVPVSSYSA-N 0 3 223.280 0.019 20 0 BCADHN C=CCNC(=S)N[C@@H]1CCN(C2CC2)C1 ZINC000145820339 710711458 /nfs/dbraw/zinc/71/14/58/710711458.db2.gz ZEWRVJKHTUZCFS-SECBINFHSA-N 0 3 225.361 0.873 20 0 BCADHN c1nc2n(c1CN[C@H]1CCCOC1)CCOC2 ZINC000722826350 710720925 /nfs/dbraw/zinc/72/09/25/710720925.db2.gz GLFLEBYJCDWJSK-JTQLQIEISA-N 0 3 237.303 0.682 20 0 BCADHN CCC[C@H](O)CNCc1cnc2n1CCOC2 ZINC000722851849 710721982 /nfs/dbraw/zinc/72/19/82/710721982.db2.gz VBOZQLGIDVJGMN-NSHDSACASA-N 0 3 239.319 0.664 20 0 BCADHN COCC(C)(C)NCc1cnc2n1CCOC2 ZINC000722844537 710722651 /nfs/dbraw/zinc/72/26/51/710722651.db2.gz KSSRAOAASVFXOW-UHFFFAOYSA-N 0 3 239.319 0.928 20 0 BCADHN O[C@@H]1CCCN(CCO[C@@H]2CCOC2)C1 ZINC000724974515 710751822 /nfs/dbraw/zinc/75/18/22/710751822.db2.gz BWDFEUMDYGUMIW-GHMZBOCLSA-N 0 3 215.293 0.249 20 0 BCADHN C[C@@H]1COCC[C@@H]1CNCc1cnn(C)n1 ZINC000382004824 710765815 /nfs/dbraw/zinc/76/58/15/710765815.db2.gz AQWJJBNSCGDXTE-NXEZZACHSA-N 0 3 224.308 0.577 20 0 BCADHN CCc1nn(C)cc1CN[C@@H]1CC[C@H]1O ZINC000382027036 710767236 /nfs/dbraw/zinc/76/72/36/710767236.db2.gz BLZGUZNIQPSAEW-GHMZBOCLSA-N 0 3 209.293 0.595 20 0 BCADHN COCCCC(=O)[N-]OCC[NH+](C)C ZINC000382072522 710772946 /nfs/dbraw/zinc/77/29/46/710772946.db2.gz GHZSERMWFMMAMC-UHFFFAOYSA-N 0 3 204.270 0.022 20 0 BCADHN CCOCC(C)(C)NCCS(C)(=O)=O ZINC000382081302 710774008 /nfs/dbraw/zinc/77/40/08/710774008.db2.gz INGOIRKIVZFKDA-UHFFFAOYSA-N 0 3 223.338 0.436 20 0 BCADHN COc1ccsc1C(=O)NOCCN(C)C ZINC000382066368 710774027 /nfs/dbraw/zinc/77/40/27/710774027.db2.gz DQRPGRYVULRHKH-UHFFFAOYSA-N 0 3 244.316 0.980 20 0 BCADHN CC[C@H](CO)N(C)c1cc(C)nc(N)n1 ZINC000382127299 710798627 /nfs/dbraw/zinc/79/86/27/710798627.db2.gz VPMDJHNHXFUXGR-MRVPVSSYSA-N 0 3 210.281 0.405 20 0 BCADHN CN(C)CCONC(=O)c1ccc(Cl)cn1 ZINC000382138886 710799815 /nfs/dbraw/zinc/79/98/15/710799815.db2.gz ZENNROFOVJAZRK-UHFFFAOYSA-N 0 3 243.694 0.958 20 0 BCADHN CCN1CC(N(C)C(=O)CN2CCC[C@H]2C)C1 ZINC001043876296 710815043 /nfs/dbraw/zinc/81/50/43/710815043.db2.gz PGNCZGURQHDRJM-LLVKDONJSA-N 0 3 239.363 0.633 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cocn2)C1 ZINC001046200340 710853922 /nfs/dbraw/zinc/85/39/22/710853922.db2.gz OSQMRUITAUEUGG-NSHDSACASA-N 0 3 223.276 0.889 20 0 BCADHN CC1CC(C(=O)N[C@]2(C)CCN(CCO)C2)C1 ZINC001046226287 710857520 /nfs/dbraw/zinc/85/75/20/710857520.db2.gz FLMHVEJZTZTJMW-GCZXYKMCSA-N 0 3 240.347 0.605 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2ncc[nH]2)C1 ZINC001046300708 710858714 /nfs/dbraw/zinc/85/87/14/710858714.db2.gz AQBWWJJOPXGWSN-LLVKDONJSA-N 0 3 222.292 0.624 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cnco2)C1 ZINC001046519655 710861053 /nfs/dbraw/zinc/86/10/53/710861053.db2.gz IUAPDCDWTLJDME-LLVKDONJSA-N 0 3 223.276 0.889 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001046554110 710861062 /nfs/dbraw/zinc/86/10/62/710861062.db2.gz LZKJZIRYMGBJMF-NHCYSSNCSA-N 0 3 226.320 0.215 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2n[nH]cc2F)C1 ZINC001046602481 710863736 /nfs/dbraw/zinc/86/37/36/710863736.db2.gz NMHUZYKMQIAZAN-NSHDSACASA-N 0 3 240.282 0.763 20 0 BCADHN CC(C)C(=O)N[C@@H]1CC[C@H](C)N(CCO)C1 ZINC001071349849 710869063 /nfs/dbraw/zinc/86/90/63/710869063.db2.gz MIJUTAUFBVNETG-WDEREUQCSA-N 0 3 228.336 0.604 20 0 BCADHN CN(Cc1cnc(N)cn1)C[C@@H]1CCOC1 ZINC000398897397 710910550 /nfs/dbraw/zinc/91/05/50/710910550.db2.gz CDGUONKFBNTRAB-VIFPVBQESA-N 0 3 222.292 0.527 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)CCC1OCCCO1 ZINC000399887552 710912624 /nfs/dbraw/zinc/91/26/24/710912624.db2.gz WEQBXAXMNOVHEE-HWPZZCPQSA-N 0 3 249.376 0.838 20 0 BCADHN CN(CCCCCO)CC[S@](C)=O ZINC000399105551 710914127 /nfs/dbraw/zinc/91/41/27/710914127.db2.gz UQEHZSROLQSWAY-ZDUSSCGKSA-N 0 3 207.339 0.459 20 0 BCADHN CC(=O)N1C[C@H](NCc2cncn2C)[C@@H](C)C1 ZINC001054299642 710925598 /nfs/dbraw/zinc/92/55/98/710925598.db2.gz DLSWSBGXMZPZOO-CABZTGNLSA-N 0 3 236.319 0.377 20 0 BCADHN COCC(=O)N1C[C@@H](C)[C@@H](NCCF)C1 ZINC001054302104 710925852 /nfs/dbraw/zinc/92/58/52/710925852.db2.gz SVWZXJYJZDRSCG-BDAKNGLRSA-N 0 3 218.272 0.039 20 0 BCADHN CC(=O)N1C[C@H](C)[C@H](NCc2cncn2C)C1 ZINC001054299643 710926081 /nfs/dbraw/zinc/92/60/81/710926081.db2.gz DLSWSBGXMZPZOO-JOYOIKCWSA-N 0 3 236.319 0.377 20 0 BCADHN CCC(=O)N1C[C@H](NCCF)[C@@H](C)C1 ZINC001054309121 710927243 /nfs/dbraw/zinc/92/72/43/710927243.db2.gz TYSAGHQSJHKMAI-IUCAKERBSA-N 0 3 202.273 0.802 20 0 BCADHN C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1NCCF ZINC001054311258 710927480 /nfs/dbraw/zinc/92/74/80/710927480.db2.gz KUVOOPNARNABPE-SCZZXKLOSA-N 0 3 214.284 0.802 20 0 BCADHN CSCC(=O)N1C[C@H](NCCF)[C@@H](C)C1 ZINC001054367209 710931194 /nfs/dbraw/zinc/93/11/94/710931194.db2.gz UBHSDFSNASLENO-IUCAKERBSA-N 0 3 234.340 0.755 20 0 BCADHN C[C@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1NCCF ZINC001054634048 710940328 /nfs/dbraw/zinc/94/03/28/710940328.db2.gz JFRDZSZPOCGONU-DTWKUNHWSA-N 0 3 240.282 0.429 20 0 BCADHN CN(CCCCO)c1ccncc1CO ZINC000384937498 710999539 /nfs/dbraw/zinc/99/95/39/710999539.db2.gz JBJLJSLPYJBYAU-UHFFFAOYSA-N 0 3 210.277 0.783 20 0 BCADHN CN(C)CCONC(=O)c1ccc2n[nH]cc2c1 ZINC000386117874 711022999 /nfs/dbraw/zinc/02/29/99/711022999.db2.gz VPGNFPITOZNUHY-UHFFFAOYSA-N 0 3 248.286 0.786 20 0 BCADHN CC[C@@H](Nc1cc(C)nc(N)n1)[C@H](C)O ZINC000386690202 711035247 /nfs/dbraw/zinc/03/52/47/711035247.db2.gz KGHMZMBJMXSOQS-JGVFFNPUSA-N 0 3 210.281 0.191 20 0 BCADHN C[C@H]1CN(Cc2ccc(N)nc2)C[C@H]1O ZINC000388081191 711051693 /nfs/dbraw/zinc/05/16/93/711051693.db2.gz MGFBIVAQBMPJMH-WCBMZHEXSA-N 0 3 207.277 0.307 20 0 BCADHN CN(C)C(=O)CNC[C@@H]1CC1(Cl)Cl ZINC000388582634 711062031 /nfs/dbraw/zinc/06/20/31/711062031.db2.gz BXLLKCAXOVPUNY-LURJTMIESA-N 0 3 225.119 0.858 20 0 BCADHN CCOC(=O)/C=C\CN(C)CCCO ZINC000388735036 711066659 /nfs/dbraw/zinc/06/66/59/711066659.db2.gz SGZZLXGNJWIVSJ-XQRVVYSFSA-N 0 3 201.266 0.420 20 0 BCADHN Cc1cc(N[C@H](C)[C@@H]2CCCOC2)nc(N)n1 ZINC000389245111 711074590 /nfs/dbraw/zinc/07/45/90/711074590.db2.gz ALAUZBKZGPVUIW-NXEZZACHSA-N 0 3 236.319 0.846 20 0 BCADHN CCCN1CC[C@@H](NC(=O)C(F)F)C1 ZINC000389424723 711078128 /nfs/dbraw/zinc/07/81/28/711078128.db2.gz WLOVTHNEKZJYLR-SSDOTTSWSA-N 0 3 206.236 0.852 20 0 BCADHN Cc1cc(NC[C@H]2CCO[C@@H](C)C2)nc(N)n1 ZINC000389547663 711080272 /nfs/dbraw/zinc/08/02/72/711080272.db2.gz MXVXIECHCGMGIG-UWVGGRQHSA-N 0 3 236.319 0.846 20 0 BCADHN Cc1cc(NC[C@H]2CCO[C@H](C)C2)nc(N)n1 ZINC000389547665 711080717 /nfs/dbraw/zinc/08/07/17/711080717.db2.gz MXVXIECHCGMGIG-ZJUUUORDSA-N 0 3 236.319 0.846 20 0 BCADHN Cn1cnc(CNC[C@H]2CCCOC2)c1 ZINC000389628583 711084042 /nfs/dbraw/zinc/08/40/42/711084042.db2.gz LMDBHXBWDCWHNN-SNVBAGLBSA-N 0 3 209.293 0.936 20 0 BCADHN C[C@@](O)(CNCc1cnccn1)C1CC1 ZINC000389653949 711085563 /nfs/dbraw/zinc/08/55/63/711085563.db2.gz XUZVVCNVCWGXFU-LLVKDONJSA-N 0 3 207.277 0.727 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@@H](N)CC1CC1 ZINC000389657657 711085588 /nfs/dbraw/zinc/08/55/88/711085588.db2.gz ZPTRCVCKVSKTAE-WPRPVWTQSA-N 0 3 214.309 0.343 20 0 BCADHN CCCN1CC[C@@H](NCc2cnn(C)n2)C1 ZINC000389842936 711092697 /nfs/dbraw/zinc/09/26/97/711092697.db2.gz YXCYKDQJKRHXLP-SNVBAGLBSA-N 0 3 223.324 0.389 20 0 BCADHN COc1ccc(CNCC(C)(C)O)nc1 ZINC000389869052 711093757 /nfs/dbraw/zinc/09/37/57/711093757.db2.gz ILKFGUUTELMVIM-UHFFFAOYSA-N 0 3 210.277 0.951 20 0 BCADHN CCN1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000390029344 711105226 /nfs/dbraw/zinc/10/52/26/711105226.db2.gz YIZCZBOHIRVQGX-JTQLQIEISA-N 0 3 235.287 0.611 20 0 BCADHN Cc1cc(NC[C@H](C)C[C@H](C)O)nc(N)n1 ZINC000390358221 711113953 /nfs/dbraw/zinc/11/39/53/711113953.db2.gz QXLCGYSZDFDDJS-APPZFPTMSA-N 0 3 224.308 0.438 20 0 BCADHN CCC(=O)N1CC[C@@H](NCc2c[nH]cn2)C1 ZINC000390476102 711120732 /nfs/dbraw/zinc/12/07/32/711120732.db2.gz KUJVVPSZUGTHAT-SECBINFHSA-N 0 3 222.292 0.510 20 0 BCADHN CCC(=O)N1CC[C@@H](NCc2cnc[nH]2)C1 ZINC000390476102 711120736 /nfs/dbraw/zinc/12/07/36/711120736.db2.gz KUJVVPSZUGTHAT-SECBINFHSA-N 0 3 222.292 0.510 20 0 BCADHN OCC[C@H](NC[C@@H](O)CO)c1ccccc1 ZINC000390747676 711132658 /nfs/dbraw/zinc/13/26/58/711132658.db2.gz BCDNGSPVMOZNFM-NEPJUHHUSA-N 0 3 225.288 0.053 20 0 BCADHN Cc1cc(N[C@@H](CO)CC(C)(C)C)nc(N)n1 ZINC000393496649 711161635 /nfs/dbraw/zinc/16/16/35/711161635.db2.gz SAALYNPZRUNMIT-SECBINFHSA-N 0 3 238.335 0.828 20 0 BCADHN CCOC(=O)/C=C\CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000393889961 711177995 /nfs/dbraw/zinc/17/79/95/711177995.db2.gz JKONWITUVJSNMA-YCBKHBRVSA-N 0 3 239.315 0.808 20 0 BCADHN C[C@@H]1C[C@@H](NCCS(C)(=O)=O)[C@H](C)O1 ZINC000395163062 711203891 /nfs/dbraw/zinc/20/38/91/711203891.db2.gz ODEDWQXXOMQWCX-HRDYMLBCSA-N 0 3 221.322 0.187 20 0 BCADHN CC[C@@H]1C[C@H](C)CN1C(=O)[C@H](N)CCOC ZINC000399537133 711432351 /nfs/dbraw/zinc/43/23/51/711432351.db2.gz VJMQIRPPIITIQK-HBNTYKKESA-N 0 3 228.336 0.997 20 0 BCADHN Cc1cc(N[C@H](C)CCCCO)nc(N)n1 ZINC000398442811 711409461 /nfs/dbraw/zinc/40/94/61/711409461.db2.gz WOPPJZYNOIMYGZ-MRVPVSSYSA-N 0 3 224.308 0.582 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2ccc(N)nc2)C1 ZINC000398556429 711411834 /nfs/dbraw/zinc/41/18/34/711411834.db2.gz GWPRKIRCJCMLRT-SNVBAGLBSA-N 0 3 234.303 0.062 20 0 BCADHN N[C@@H](C(=O)NCc1ccon1)C1CCC1 ZINC000399033535 711418818 /nfs/dbraw/zinc/41/88/18/711418818.db2.gz MUGRXLLAXFFEBB-SECBINFHSA-N 0 3 209.249 0.418 20 0 BCADHN CN(CC[S@@](C)=O)[C@@H]1CCC[C@H]1O ZINC000399102185 711422140 /nfs/dbraw/zinc/42/21/40/711422140.db2.gz SRNHFITZMYVWNP-JRKPZEMJSA-N 0 3 205.323 0.210 20 0 BCADHN N[C@@H](C(=O)NC[C@@H](O)c1ccccc1)C1CCC1 ZINC000399226609 711424900 /nfs/dbraw/zinc/42/49/00/711424900.db2.gz NHLAWAKDOXEOKN-CHWSQXEVSA-N 0 3 248.326 0.964 20 0 BCADHN COC[C@@H](C)N1CCCO[C@H](CNC(C)=O)C1 ZINC001073506670 711440043 /nfs/dbraw/zinc/44/00/43/711440043.db2.gz XBPVJKYCXFLTNQ-ZYHUDNBSSA-N 0 3 244.335 0.248 20 0 BCADHN CC[C@@H](C)[C@@H](CNCCS(C)(=O)=O)OC ZINC000381270654 710614932 /nfs/dbraw/zinc/61/49/32/710614932.db2.gz HRRFHYJFYAACLQ-NXEZZACHSA-N 0 3 237.365 0.682 20 0 BCADHN CCCN1CC[C@@H](NCCS(C)(=O)=O)C1 ZINC000393942142 710829022 /nfs/dbraw/zinc/82/90/22/710829022.db2.gz ZNDDWRLBUSUWNY-SNVBAGLBSA-N 0 3 234.365 0.105 20 0 BCADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)C2=CCCC2)C1 ZINC001047347262 710871351 /nfs/dbraw/zinc/87/13/51/710871351.db2.gz PEPWVYOTXIFSKB-RYUDHWBXSA-N 0 3 238.331 0.620 20 0 BCADHN C[N@@H+]1CC[C@@H](C(=O)[N-]OC2CCCC2)C1 ZINC000386460833 711029757 /nfs/dbraw/zinc/02/97/57/711029757.db2.gz SHIFTPMNMACYQW-SECBINFHSA-N 0 3 212.293 0.929 20 0 BCADHN C[N@H+]1CC[C@@H](C(=O)[N-]OC2CCCC2)C1 ZINC000386460833 711029762 /nfs/dbraw/zinc/02/97/62/711029762.db2.gz SHIFTPMNMACYQW-SECBINFHSA-N 0 3 212.293 0.929 20 0 BCADHN COc1cccc(C(=O)NOCCN(C)C)c1 ZINC000393293032 711155985 /nfs/dbraw/zinc/15/59/85/711155985.db2.gz APGNJJBYXHIOOZ-UHFFFAOYSA-N 0 3 238.287 0.918 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1CCc2n[nH]cc2C1 ZINC000396875002 711372010 /nfs/dbraw/zinc/37/20/10/711372010.db2.gz ZOWNQGHXXVIQBW-JTQLQIEISA-N 0 3 234.303 0.422 20 0 BCADHN Cc1ccc(CN[C@H]2CCN(C)C2)nn1 ZINC000396931032 711372872 /nfs/dbraw/zinc/37/28/72/711372872.db2.gz NWAQPWPCRJDCDX-NSHDSACASA-N 0 3 206.293 0.579 20 0 BCADHN CCOC1CC(NCC(=O)N(C)OC)C1 ZINC000397538995 711385475 /nfs/dbraw/zinc/38/54/75/711385475.db2.gz UBQZLXGVRDFDTB-UHFFFAOYSA-N 0 3 216.281 0.163 20 0 BCADHN CON(C)C(=O)CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000397545059 711386275 /nfs/dbraw/zinc/38/62/75/711386275.db2.gz YEAAIRXOWWYHDH-HRDYMLBCSA-N 0 3 216.281 0.162 20 0 BCADHN CON(C)C(=O)CN[C@H]1CCSC1 ZINC000397545591 711386399 /nfs/dbraw/zinc/38/63/99/711386399.db2.gz LYGMKOMJDXAAGO-ZETCQYMHSA-N 0 3 204.295 0.101 20 0 BCADHN CON(C)C(=O)CN[C@@H]1COCC1(C)C ZINC000397548793 711387005 /nfs/dbraw/zinc/38/70/05/711387005.db2.gz RFGFFLGNCYLCGE-MRVPVSSYSA-N 0 3 216.281 0.021 20 0 BCADHN C[C@H](CCO)CCNCc1cnccn1 ZINC000397716826 711390160 /nfs/dbraw/zinc/39/01/60/711390160.db2.gz HHORQBIMTKRXGV-JTQLQIEISA-N 0 3 209.293 0.975 20 0 BCADHN CO[C@H]1C[C@@H](NCc2cn[nH]n2)C12CCC2 ZINC000398399521 711408931 /nfs/dbraw/zinc/40/89/31/711408931.db2.gz MGMDLRPTWAJRLN-ZJUUUORDSA-N 0 3 222.292 0.852 20 0 BCADHN CN1CC[C@H](N[C@@H]2CCn3ccnc32)C1 ZINC000393536278 711492195 /nfs/dbraw/zinc/49/21/95/711492195.db2.gz XWPNBCOGITWPQF-VHSXEESVSA-N 0 3 206.293 0.622 20 0 BCADHN C=CCNC(=[NH2+])NCc1ccccc1[O-] ZINC000066245215 711502924 /nfs/dbraw/zinc/50/29/24/711502924.db2.gz ABGXURVYWIZUCZ-UHFFFAOYSA-N 0 3 205.261 0.983 20 0 BCADHN CCOC(=O)/C=C\CN(C)C[C@@H](C)O ZINC000308320295 711522020 /nfs/dbraw/zinc/52/20/20/711522020.db2.gz NNUZCQRIWTVYTG-SSJHQANKSA-N 0 3 201.266 0.418 20 0 BCADHN CNC(=O)CNC1([C@@H]2CCCCO2)CC1 ZINC000933376627 711528221 /nfs/dbraw/zinc/52/82/21/711528221.db2.gz TVLHUOZPNUSJJP-VIFPVBQESA-N 0 3 212.293 0.424 20 0 BCADHN CO[C@@H]1CC[C@H]1N(C)c1cc(C)nc(N)n1 ZINC000724158582 711565099 /nfs/dbraw/zinc/56/50/99/711565099.db2.gz YTCIJBCEMYOQTN-RKDXNWHRSA-N 0 3 222.292 0.981 20 0 BCADHN C=Cn1cc(CNC[C@H]2C[C@@H]3COC[C@@H]3O2)cn1 ZINC000724555713 711589931 /nfs/dbraw/zinc/58/99/31/711589931.db2.gz XBRKAFKKAMLWFS-UPJWGTAASA-N 0 3 249.314 0.877 20 0 BCADHN c1ccc(CNC[C@H]2C[C@@H]3COC[C@@H]3O2)nc1 ZINC000724652565 711605365 /nfs/dbraw/zinc/60/53/65/711605365.db2.gz HLNLNYLFUORDFE-RTXFEEFZSA-N 0 3 234.299 0.975 20 0 BCADHN Cc1nocc1CNC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724658054 711606080 /nfs/dbraw/zinc/60/60/80/711606080.db2.gz WRPZVQCYNKFTPG-JLLWLGSASA-N 0 3 238.287 0.877 20 0 BCADHN COC[C@](C)(CO)NCc1[nH]c(C)nc1C ZINC000724783855 711614042 /nfs/dbraw/zinc/61/40/42/711614042.db2.gz BGCWDDKCXODCLS-NSHDSACASA-N 0 3 227.308 0.514 20 0 BCADHN CC[C@H](N)c1cn(CCO[C@@H]2CCOC2)nn1 ZINC000724948678 711633292 /nfs/dbraw/zinc/63/32/92/711633292.db2.gz FELSNYNIBXVWKF-ZJUUUORDSA-N 0 3 240.307 0.493 20 0 BCADHN Cn1nccc1CNCCO[C@@H]1CCOC1 ZINC000724951666 711633717 /nfs/dbraw/zinc/63/37/17/711633717.db2.gz VODIWPWHZAPTGO-LLVKDONJSA-N 0 3 225.292 0.315 20 0 BCADHN CN(C)CCONC(=O)c1ccsc1 ZINC000393304847 711675931 /nfs/dbraw/zinc/67/59/31/711675931.db2.gz XOBXCELOKDCLMI-UHFFFAOYSA-N 0 3 214.290 0.971 20 0 BCADHN C[C@@H](O)CN1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001075473435 711645974 /nfs/dbraw/zinc/64/59/74/711645974.db2.gz YVZHKKKTRMEYRI-HRDYMLBCSA-N 0 3 248.273 0.165 20 0 BCADHN CCS(=O)(=O)CCN[C@H](C)[C@@H]1CCCCO1 ZINC000393880964 711679553 /nfs/dbraw/zinc/67/95/53/711679553.db2.gz BVXFVPNSHAABAU-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN COCCNC(=S)N[C@@H]1CCN(C2CC2)C1 ZINC000136263435 711693624 /nfs/dbraw/zinc/69/36/24/711693624.db2.gz UJLNRQHAQYLBOG-SECBINFHSA-N 0 3 243.376 0.334 20 0 BCADHN CCNC(=S)N[C@H]1CCN(C2CC2)C1 ZINC000136263385 711693629 /nfs/dbraw/zinc/69/36/29/711693629.db2.gz XPZRFGADOBTGDU-QMMMGPOBSA-N 0 3 213.350 0.707 20 0 BCADHN CCn1cc(CN[C@H](C)CC(N)=O)c(C)n1 ZINC000893132523 711694167 /nfs/dbraw/zinc/69/41/67/711694167.db2.gz PQCIQSDFEAMEPW-MRVPVSSYSA-N 0 3 224.308 0.565 20 0 BCADHN COC/C(C)=C\CN1CCC(O)(CO)CC1 ZINC000930997597 711706375 /nfs/dbraw/zinc/70/63/75/711706375.db2.gz ZPQGWBTWZXBANJ-JYOAFUTRSA-N 0 3 229.320 0.398 20 0 BCADHN O=C1O[C@@H](CN2CC[C@H](O)C2)CC12CCC2 ZINC000191995242 711707782 /nfs/dbraw/zinc/70/77/82/711707782.db2.gz CQDBBOCDVNJFJJ-VHSXEESVSA-N 0 3 225.288 0.539 20 0 BCADHN CC[C@@]1(C)CCN(C(=O)[C@@H](N)CCOC)C1 ZINC000399358841 711747078 /nfs/dbraw/zinc/74/70/78/711747078.db2.gz PBRCVNDZOORTIE-JQWIXIFHSA-N 0 3 228.336 0.999 20 0 BCADHN O=C(c1ncc[nH]1)N1CCCN(CC2CC2)CC1 ZINC000981119665 711752750 /nfs/dbraw/zinc/75/27/50/711752750.db2.gz FHLPSJCGRMLJKT-UHFFFAOYSA-N 0 3 248.330 0.968 20 0 BCADHN CCCC(=O)N1CC2(C1)CCCN(CCO)C2 ZINC000981581789 711754984 /nfs/dbraw/zinc/75/49/84/711754984.db2.gz OLIJAAGYQNLTMA-UHFFFAOYSA-N 0 3 240.347 0.703 20 0 BCADHN C[C@@H](F)CCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924898064 711765332 /nfs/dbraw/zinc/76/53/32/711765332.db2.gz SVOVXDJWSZHXKV-SFYZADRCSA-N 0 3 231.271 0.217 20 0 BCADHN CCc1ncncc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928450902 711773065 /nfs/dbraw/zinc/77/30/65/711773065.db2.gz FEUXFNYEAVQGCE-SKDRFNHKSA-N 0 3 248.330 0.861 20 0 BCADHN CCN1C[C@@H]2CCN(C(=O)c3n[nH]cc3C)[C@@H]2C1 ZINC001075774925 711774360 /nfs/dbraw/zinc/77/43/60/711774360.db2.gz WWOGEAVWPHPFPT-WDEREUQCSA-N 0 3 248.330 0.884 20 0 BCADHN CC[C@@H](CO)N1CCN(C2CCC2)CC1 ZINC000178997195 711776570 /nfs/dbraw/zinc/77/65/70/711776570.db2.gz GKTVFODBWQFKKB-NSHDSACASA-N 0 3 212.337 0.927 20 0 BCADHN CC(C)(O)[C@@H]1CCN(CC(=O)N2CCCC2)C1 ZINC000721833506 711778241 /nfs/dbraw/zinc/77/82/41/711778241.db2.gz NRIURAAMWGPMBJ-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H]1CCN1C ZINC000928564101 711778539 /nfs/dbraw/zinc/77/85/39/711778539.db2.gz UDOYCKWFTGTSIE-JTQLQIEISA-N 0 3 213.325 0.147 20 0 BCADHN COC[C@@H](C)CN[C@H](C)C1N=NC(=O)N1C ZINC000895175514 711779605 /nfs/dbraw/zinc/77/96/05/711779605.db2.gz MTZOYVSPYXRDQU-JGVFFNPUSA-N 0 3 228.296 0.454 20 0 BCADHN CN(C)C1(C(=O)NCC2(O)CCCC2)CCC1 ZINC000305061007 711785719 /nfs/dbraw/zinc/78/57/19/711785719.db2.gz JHPYWLFEZLXTBR-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)N2CCC(O)CC2)CCN1C ZINC000925313005 711797981 /nfs/dbraw/zinc/79/79/81/711797981.db2.gz KQYPJMLNOGHFNB-KOLCDFICSA-N 0 3 241.335 0.245 20 0 BCADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001076672584 711807505 /nfs/dbraw/zinc/80/75/05/711807505.db2.gz AGEKKGKEKMNMEI-GHMZBOCLSA-N 0 3 226.320 0.356 20 0 BCADHN CC(C)C[C@@H](O)CNC(=O)[C@@H](N)C(C)(C)C ZINC000160404579 711808049 /nfs/dbraw/zinc/80/80/49/711808049.db2.gz OGBQLGIUZSWHJB-NXEZZACHSA-N 0 3 230.352 0.883 20 0 BCADHN Cc1nnc(NC(=O)[C@H](N)CC2CC2)s1 ZINC000379909605 711813878 /nfs/dbraw/zinc/81/38/78/711813878.db2.gz LUWJOMFYOBQBCO-SSDOTTSWSA-N 0 3 226.305 0.912 20 0 BCADHN CC(C)N(C)CCC[NH2+][C@H](C)C(=O)[O-] ZINC000226277468 711830691 /nfs/dbraw/zinc/83/06/91/711830691.db2.gz WJDCMRHBATVIAW-SECBINFHSA-N 0 3 202.298 0.779 20 0 BCADHN Cc1cc(N2CC[C@H]([C@H](C)O)C2)nc(N)n1 ZINC000228191684 711834045 /nfs/dbraw/zinc/83/40/45/711834045.db2.gz RSMBSQGVONAMJE-IUCAKERBSA-N 0 3 222.292 0.574 20 0 BCADHN CC[C@@H](CCO)CNCc1cnccn1 ZINC000087362871 711835081 /nfs/dbraw/zinc/83/50/81/711835081.db2.gz UEDIQGAEMQYZGE-JTQLQIEISA-N 0 3 209.293 0.975 20 0 BCADHN Cc1cnc(C(=O)N[C@@H]2CCN(C(C)C)C2)cn1 ZINC000049296228 711841545 /nfs/dbraw/zinc/84/15/45/711841545.db2.gz KORPKGLFBRNYNY-LLVKDONJSA-N 0 3 248.330 0.998 20 0 BCADHN CCCN1C[C@@H](O)[C@H](NC(=O)C2(C)CCC2)C1 ZINC001077509248 711845045 /nfs/dbraw/zinc/84/50/45/711845045.db2.gz SDPCXGBPEHCZLX-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001077527837 711860931 /nfs/dbraw/zinc/86/09/31/711860931.db2.gz PYRAXGFVIZWSRB-NNYUYHANSA-N 0 3 240.347 0.460 20 0 BCADHN CC(C)N1CC[C@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001015612594 711869146 /nfs/dbraw/zinc/86/91/46/711869146.db2.gz QASCWUMLLYLOBL-CMPLNLGQSA-N 0 3 244.310 0.714 20 0 BCADHN CO[C@H]([C@H](C)Nc1cc(C)nc(N)n1)C1CC1 ZINC000388376374 711872729 /nfs/dbraw/zinc/87/27/29/711872729.db2.gz ZMESUAMDJQJZNU-GZMMTYOYSA-N 0 3 236.319 0.845 20 0 BCADHN C[C@H]1[C@H](NC(=O)NCCF)CCN1C ZINC000925337204 711889930 /nfs/dbraw/zinc/88/99/30/711889930.db2.gz HZGOCIPEPYJUMQ-JGVFFNPUSA-N 0 3 203.261 0.348 20 0 BCADHN Cc1nn[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2C(C)C ZINC001032555459 711925212 /nfs/dbraw/zinc/92/52/12/711925212.db2.gz OWEFTOCCXNGLNR-UWVGGRQHSA-N 0 3 249.318 0.420 20 0 BCADHN Cc1ccc(CNC[C@@H]2COCCN2)cn1 ZINC000530182530 711937850 /nfs/dbraw/zinc/93/78/50/711937850.db2.gz VYFPKUSTCZEDSO-GFCCVEGCSA-N 0 3 221.304 0.468 20 0 BCADHN C[C@@H]1CN(C(=O)C(F)F)C[C@H]1NCCF ZINC001054308933 711946243 /nfs/dbraw/zinc/94/62/43/711946243.db2.gz OUBRLSREMQHMNM-RNFRBKRXSA-N 0 3 224.226 0.658 20 0 BCADHN C[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001032836028 711956637 /nfs/dbraw/zinc/95/66/37/711956637.db2.gz XWIZXBBETPXPJO-HBNTYKKESA-N 0 3 240.347 0.604 20 0 BCADHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)C(C)(C)F)C1 ZINC001032860776 711965018 /nfs/dbraw/zinc/96/50/18/711965018.db2.gz HBXTZYTWSSOJJS-ZJUUUORDSA-N 0 3 246.326 0.648 20 0 BCADHN CN(C(=O)CC1CCC1)[C@H]1CCN(CCO)C1 ZINC001032974425 711969875 /nfs/dbraw/zinc/96/98/75/711969875.db2.gz YTNLOQQSFUUCGI-LBPRGKRZSA-N 0 3 240.347 0.702 20 0 BCADHN CN(C(=O)C=C1CCC1)[C@@H]1CCN(CCO)C1 ZINC001032996044 711971165 /nfs/dbraw/zinc/97/11/65/711971165.db2.gz HPNJLZWWDGIDFR-GFCCVEGCSA-N 0 3 238.331 0.622 20 0 BCADHN CN(C(=O)[C@@H]1CC1(F)F)[C@H]1CCN(CCO)C1 ZINC001033056948 711972808 /nfs/dbraw/zinc/97/28/08/711972808.db2.gz HIPQWUHORTUTIQ-IUCAKERBSA-N 0 3 248.273 0.167 20 0 BCADHN Cn1ncc(CNCCCCn2ccnc2)n1 ZINC000383601389 711973945 /nfs/dbraw/zinc/97/39/45/711973945.db2.gz QJEPGNJIXNYTSD-UHFFFAOYSA-N 0 3 234.307 0.582 20 0 BCADHN C[C@@H](O)CN1CC[C@@H](N(C)C(=O)C2(C)CC2)C1 ZINC001033112117 711976665 /nfs/dbraw/zinc/97/66/65/711976665.db2.gz QNKRLGCSQNJERG-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN Cn1ccnc1CNCC1CC2(C1)OCCO2 ZINC000922799257 711976785 /nfs/dbraw/zinc/97/67/85/711976785.db2.gz JEBPKRVJWASEJS-UHFFFAOYSA-N 0 3 237.303 0.663 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2ccnnc2C)C1 ZINC001033232363 711980499 /nfs/dbraw/zinc/98/04/99/711980499.db2.gz HYZHEYWLFGRWRD-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2cnco2)C1 ZINC001033305473 711981753 /nfs/dbraw/zinc/98/17/53/711981753.db2.gz HZTYSROPIKQIHY-SECBINFHSA-N 0 3 223.276 0.841 20 0 BCADHN COc1cncc(CN[C@@H](C)C[S@@](C)=O)c1 ZINC000700045983 711984824 /nfs/dbraw/zinc/98/48/24/711984824.db2.gz CBDZBCOJBVIYQO-XXFAHNHDSA-N 0 3 242.344 0.947 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)[C@]2(F)CCOC2)C1 ZINC001033367564 711987275 /nfs/dbraw/zinc/98/72/75/711987275.db2.gz GRGJTFFQLJMLGS-PWSUYJOCSA-N 0 3 244.310 0.668 20 0 BCADHN COCC[C@@H](N)C(=O)NC(C)(C)C(C)C ZINC000700485647 711994839 /nfs/dbraw/zinc/99/48/39/711994839.db2.gz IDOKORZCMZHVAG-SECBINFHSA-N 0 3 216.325 0.901 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2cccnn2)C1 ZINC001033524013 711999779 /nfs/dbraw/zinc/99/97/79/711999779.db2.gz VHINLFVJSTZGGQ-JTQLQIEISA-N 0 3 234.303 0.643 20 0 BCADHN CCO[C@H]1CCN([C@@H](CC)C(N)=O)C1 ZINC000701707036 712027000 /nfs/dbraw/zinc/02/70/00/712027000.db2.gz PNUGOJWJKKFBRE-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC001033535657 712003816 /nfs/dbraw/zinc/00/38/16/712003816.db2.gz HYZSRIUIARQNLP-DGCLKSJQSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1cc(N(C)Cc2cn(C)nn2)nc(N)n1 ZINC000700748744 712005085 /nfs/dbraw/zinc/00/50/85/712005085.db2.gz SPLJPCUAWMKLOT-UHFFFAOYSA-N 0 3 233.279 0.132 20 0 BCADHN CN(CCO)CCN(C)C(=O)C1CCC1 ZINC000701121368 712016055 /nfs/dbraw/zinc/01/60/55/712016055.db2.gz DSVLFQRHGCPCHD-UHFFFAOYSA-N 0 3 214.309 0.169 20 0 BCADHN CCS(=O)(=O)CCNC[C@H]1CCC[C@@H](C)O1 ZINC000701492563 712025270 /nfs/dbraw/zinc/02/52/70/712025270.db2.gz GKUSRGMSSYZFJF-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN Cn1ncc(Cn2cc([C@@H](N)C(C)(C)C)nn2)n1 ZINC000702280565 712044977 /nfs/dbraw/zinc/04/49/77/712044977.db2.gz HMVOXQFVOCDCBT-SNVBAGLBSA-N 0 3 249.322 0.501 20 0 BCADHN Cc1cccc(CCNC(=O)[C@@H](N)CN(C)C)c1 ZINC000702340991 712045136 /nfs/dbraw/zinc/04/51/36/712045136.db2.gz KSPJGWCCMUARGP-ZDUSSCGKSA-N 0 3 249.358 0.543 20 0 BCADHN CC[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000702341454 712045947 /nfs/dbraw/zinc/04/59/47/712045947.db2.gz LUHKUUVPBLKQEQ-WOPDTQHZSA-N 0 3 241.379 0.960 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H](N)CN(C)C ZINC000702353811 712046516 /nfs/dbraw/zinc/04/65/16/712046516.db2.gz VRLQUNDRRKOVHV-MXWKQRLJSA-N 0 3 227.352 0.522 20 0 BCADHN CC[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702329863 712046871 /nfs/dbraw/zinc/04/68/71/712046871.db2.gz PBQOFRQENLTWHP-MNOVXSKESA-N 0 3 227.352 0.524 20 0 BCADHN C[C@@H]1CCCCCN1C(=O)[C@@H](N)CN(C)C ZINC000702329296 712047098 /nfs/dbraw/zinc/04/70/98/712047098.db2.gz JRQCKEJKOBBWTK-MNOVXSKESA-N 0 3 227.352 0.666 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H](N)CN(C)C ZINC000702322388 712047206 /nfs/dbraw/zinc/04/72/06/712047206.db2.gz GHLGAGPLJVBDGC-MXWKQRLJSA-N 0 3 227.352 0.665 20 0 BCADHN CC[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702329864 712047282 /nfs/dbraw/zinc/04/72/82/712047282.db2.gz PBQOFRQENLTWHP-QWRGUYRKSA-N 0 3 227.352 0.524 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)C1CCCCC1 ZINC000702330768 712047661 /nfs/dbraw/zinc/04/76/61/712047661.db2.gz WHOHVHFCPOOCRR-NSHDSACASA-N 0 3 227.352 0.666 20 0 BCADHN CCCN(CC1CC1)C(=O)[C@@H](N)CN(C)C ZINC000702331222 712047750 /nfs/dbraw/zinc/04/77/50/712047750.db2.gz YNDOMGOALVXPDO-NSHDSACASA-N 0 3 227.352 0.524 20 0 BCADHN CCCN(CC(C)C)C(=O)[C@@H](N)CN(C)C ZINC000702371723 712049039 /nfs/dbraw/zinc/04/90/39/712049039.db2.gz LQYCTXDXUBGBSK-NSHDSACASA-N 0 3 229.368 0.770 20 0 BCADHN CC[C@H](C)C[C@H](C)NC(=O)[C@@H](N)CN(C)C ZINC000702371690 712049153 /nfs/dbraw/zinc/04/91/53/712049153.db2.gz LMQJCUWQPPLIIU-DCAQKATOSA-N 0 3 229.368 0.816 20 0 BCADHN CS[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000702395327 712050182 /nfs/dbraw/zinc/05/01/82/712050182.db2.gz SXIIORQNWDMIIO-BBBLOLIVSA-N 0 3 245.392 0.276 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)C(C)(C)C ZINC000702389332 712050290 /nfs/dbraw/zinc/05/02/90/712050290.db2.gz DCROUJDVUIULNJ-QMMMGPOBSA-N 0 3 201.314 0.132 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC[C@@H]1CC1(F)F ZINC000702401739 712050834 /nfs/dbraw/zinc/05/08/34/712050834.db2.gz OLVHGGPFSYNFLA-SFYZADRCSA-N 0 3 235.278 0.037 20 0 BCADHN Cc1ccc(O)c(NC(=O)[C@@H](N)CN(C)C)c1 ZINC000702401555 712050993 /nfs/dbraw/zinc/05/09/93/712050993.db2.gz MRNYVAPAIZSBST-VIFPVBQESA-N 0 3 237.303 0.528 20 0 BCADHN CCCS(=O)(=O)N1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000702415104 712051891 /nfs/dbraw/zinc/05/18/91/712051891.db2.gz RJTIHEXDTLSVSX-WDEREUQCSA-N 0 3 246.376 0.610 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCc2ccccc2C1 ZINC000702425512 712052287 /nfs/dbraw/zinc/05/22/87/712052287.db2.gz AEVCINMTRHRJID-ZDUSSCGKSA-N 0 3 247.342 0.460 20 0 BCADHN COCCC(C)(C)CNC(=O)[C@@H](N)CN(C)C ZINC000702431076 712052382 /nfs/dbraw/zinc/05/23/82/712052382.db2.gz RICUFLZQEHKHQU-JTQLQIEISA-N 0 3 245.367 0.054 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCC(C)(C)F ZINC000702424334 712052423 /nfs/dbraw/zinc/05/24/23/712052423.db2.gz KTLFYHSYFVJSJB-QMMMGPOBSA-N 0 3 219.304 0.130 20 0 BCADHN CC(C)C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702425855 712052493 /nfs/dbraw/zinc/05/24/93/712052493.db2.gz BFKBZERNSNUUHJ-RYUDHWBXSA-N 0 3 241.379 0.770 20 0 BCADHN COCCN(CC(C)C)C(=O)[C@@H](N)CN(C)C ZINC000702431459 712052502 /nfs/dbraw/zinc/05/25/02/712052502.db2.gz TYAHUNSASWXBBT-NSHDSACASA-N 0 3 245.367 0.006 20 0 BCADHN CC(=O)CCC(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000702465356 712053975 /nfs/dbraw/zinc/05/39/75/712053975.db2.gz VDAHBFJIGQPAGS-YPMHNXCESA-N 0 3 238.331 0.766 20 0 BCADHN CO[C@@](C)(CO)CN[C@H]1CCCc2n[nH]cc21 ZINC000702531753 712055157 /nfs/dbraw/zinc/05/51/57/712055157.db2.gz LKQGVFKICDKZJJ-CMPLNLGQSA-N 0 3 239.319 0.774 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCCCN(CCO)C1 ZINC001034347802 712060482 /nfs/dbraw/zinc/06/04/82/712060482.db2.gz TVBGGMMFGMJOIB-TUAOUCFPSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H]1CCCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000703226157 712068445 /nfs/dbraw/zinc/06/84/45/712068445.db2.gz YMVXXJBRCQMFJA-MNOVXSKESA-N 0 3 227.352 0.524 20 0 BCADHN CN(Cc1ccc(N)nn1)C[C@H]1CCC[C@@H]1O ZINC000703932066 712094993 /nfs/dbraw/zinc/09/49/93/712094993.db2.gz GYMJBUCFCDQZJM-KOLCDFICSA-N 0 3 236.319 0.652 20 0 BCADHN Nc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)nn1 ZINC000703928324 712095267 /nfs/dbraw/zinc/09/52/67/712095267.db2.gz ZRBYRAGFLXBTMM-ZJUUUORDSA-N 0 3 234.303 0.527 20 0 BCADHN Nc1ccc(CN2CCN3CCCC[C@@H]3C2)nn1 ZINC000703962642 712096426 /nfs/dbraw/zinc/09/64/26/712096426.db2.gz UCFUOQUUYLBDMY-GFCCVEGCSA-N 0 3 247.346 0.729 20 0 BCADHN CN(Cc1ccc(N)nn1)C[C@@H]1CCCOC1 ZINC000703965155 712097591 /nfs/dbraw/zinc/09/75/91/712097591.db2.gz SQUJOFJILBLHSJ-JTQLQIEISA-N 0 3 236.319 0.917 20 0 BCADHN COc1cncc(CNCCOCCO)c1 ZINC000704205312 712101342 /nfs/dbraw/zinc/10/13/42/712101342.db2.gz GRZAENGVKYNFPB-UHFFFAOYSA-N 0 3 226.276 0.189 20 0 BCADHN CN1CCC[C@@H](NC[C@H](O)c2ccccc2)C1=O ZINC000704310203 712103725 /nfs/dbraw/zinc/10/37/25/712103725.db2.gz MLPUUWILNNBKLI-OLZOCXBDSA-N 0 3 248.326 0.930 20 0 BCADHN COC[C@@H](C)OC(=O)NC1CCN(C)CC1 ZINC000704417578 712106961 /nfs/dbraw/zinc/10/69/61/712106961.db2.gz JSJPKSDURDZMRS-SECBINFHSA-N 0 3 230.308 0.842 20 0 BCADHN Cc1cocc1C(=O)N(C)CCN(C)CCO ZINC000705162228 712124932 /nfs/dbraw/zinc/12/49/32/712124932.db2.gz SEGZFKGUUIUXCB-UHFFFAOYSA-N 0 3 240.303 0.584 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccc(F)nc1 ZINC000705251397 712126142 /nfs/dbraw/zinc/12/61/42/712126142.db2.gz COKVQOVGEFUSMC-QMMMGPOBSA-N 0 3 226.255 0.048 20 0 BCADHN CC(C)C[C@@H](O)CNC(=O)C(N)C(F)(F)F ZINC000705251521 712126246 /nfs/dbraw/zinc/12/62/46/712126246.db2.gz LZXJKUPLJBVKLJ-RQJHMYQMSA-N 0 3 242.241 0.399 20 0 BCADHN OC[C@H]1CN(Cc2ccco2)C[C@H]1CO ZINC000705301233 712127714 /nfs/dbraw/zinc/12/77/14/712127714.db2.gz ZCWVGMIJOUOPSI-AOOOYVTPSA-N 0 3 211.261 0.312 20 0 BCADHN CCC[C@@H](CC)NC(=O)[C@@H](N)CN(C)C ZINC000705395035 712129989 /nfs/dbraw/zinc/12/99/89/712129989.db2.gz UHHFDAUXCLYWDC-ZJUUUORDSA-N 0 3 215.341 0.570 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1CCC2(CCC2)CC1 ZINC000705396719 712131050 /nfs/dbraw/zinc/13/10/50/712131050.db2.gz CXRNVTNSFNURTO-NSHDSACASA-N 0 3 239.363 0.668 20 0 BCADHN CC(=O)N1CCC2(CN(C[C@@H](C)O)C2)CC1 ZINC001035629202 712138229 /nfs/dbraw/zinc/13/82/29/712138229.db2.gz YTIBKAZZKYPYKC-SNVBAGLBSA-N 0 3 226.320 0.312 20 0 BCADHN O[C@@H]1COCC[C@H]1NCc1ccc(Cl)cn1 ZINC000706932897 712161547 /nfs/dbraw/zinc/16/15/47/712161547.db2.gz BQBARSRYSXDIJB-GHMZBOCLSA-N 0 3 242.706 0.974 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000707539119 712171673 /nfs/dbraw/zinc/17/16/73/712171673.db2.gz BNZFTLOYXUTXLS-VXGBXAGGSA-N 0 3 240.347 0.999 20 0 BCADHN C[C@@]1(C(F)(F)F)CCN(C[C@H](O)CO)C1 ZINC000708976059 712204392 /nfs/dbraw/zinc/20/43/92/712204392.db2.gz RLQFIXUDRQDJCQ-JGVFFNPUSA-N 0 3 227.226 0.614 20 0 BCADHN COC(OC)C(=O)N(C)C[C@H]1CCCN1C ZINC000709533168 712223870 /nfs/dbraw/zinc/22/38/70/712223870.db2.gz CUJFCUIXQVPHRC-SECBINFHSA-N 0 3 230.308 0.158 20 0 BCADHN COCC[C@](C)(O)CN[C@H](C)c1cn(C)cn1 ZINC000709918751 712232735 /nfs/dbraw/zinc/23/27/35/712232735.db2.gz HNBCFQQXYAJFHS-PWSUYJOCSA-N 0 3 241.335 0.858 20 0 BCADHN CCN(C(=O)C(OC)OC)[C@H]1CCN(CC)C1 ZINC000709925630 712233830 /nfs/dbraw/zinc/23/38/30/712233830.db2.gz XSEKVUSMEUUUJB-JTQLQIEISA-N 0 3 244.335 0.548 20 0 BCADHN Cn1nncc1CNCCc1ccns1 ZINC000710025272 712241102 /nfs/dbraw/zinc/24/11/02/712241102.db2.gz GAUQKBMNDSNKDR-UHFFFAOYSA-N 0 3 223.305 0.604 20 0 BCADHN Cc1cnn(C)c1CN[C@H]1COC[C@H]1C ZINC000710848243 712258507 /nfs/dbraw/zinc/25/85/07/712258507.db2.gz ZCZHPLOELLKWDF-ZJUUUORDSA-N 0 3 209.293 0.853 20 0 BCADHN COC1(OC)CC[C@@H]1NCCc1ccn(C)n1 ZINC000710954823 712267699 /nfs/dbraw/zinc/26/76/99/712267699.db2.gz QMJKSVAYEZNVDM-NSHDSACASA-N 0 3 239.319 0.704 20 0 BCADHN COC[C@H](CN[C@@H]1CCC1(OC)OC)OC ZINC000710963736 712268790 /nfs/dbraw/zinc/26/87/90/712268790.db2.gz DGTHEFYJHLCDBK-VHSXEESVSA-N 0 3 233.308 0.389 20 0 BCADHN CCCNC(=O)CCN[C@H]1CCC1(OC)OC ZINC000710986699 712272302 /nfs/dbraw/zinc/27/23/02/712272302.db2.gz GBURRNOOGWQEHM-JTQLQIEISA-N 0 3 244.335 0.644 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@@H]1CO[C@H](C)C1 ZINC000710992115 712272900 /nfs/dbraw/zinc/27/29/00/712272900.db2.gz BEIWKMASIBDSGG-UTLUCORTSA-N 0 3 215.293 0.905 20 0 BCADHN COCC[C@H](COC)N[C@@H]1CCC1(OC)OC ZINC000710992913 712272865 /nfs/dbraw/zinc/27/28/65/712272865.db2.gz GURINZKPHNYXDK-GHMZBOCLSA-N 0 3 247.335 0.779 20 0 BCADHN C[C@@H](C(N)=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000711627681 712312945 /nfs/dbraw/zinc/31/29/45/712312945.db2.gz QDWZJFMAEGNCDO-BIIVOSGPSA-N 0 3 200.307 0.155 20 0 BCADHN C[C@H]1OCC[C@@H]1N[C@H]1CS(=O)(=O)C[C@H]1C ZINC000711710881 712320273 /nfs/dbraw/zinc/32/02/73/712320273.db2.gz YEKWMVMNDZYAGP-IMSYWVGJSA-N 0 3 233.333 0.187 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H]2CS(=O)(=O)C[C@@H]2C)CO1 ZINC000711774948 712328828 /nfs/dbraw/zinc/32/88/28/712328828.db2.gz OVDYHCOVMJUSCE-UKKRHICBSA-N 0 3 247.360 0.577 20 0 BCADHN COCCN(CCO)CCOC1CC1 ZINC000711786335 712329951 /nfs/dbraw/zinc/32/99/51/712329951.db2.gz MTKILLAFEHDRBB-UHFFFAOYSA-N 0 3 203.282 0.106 20 0 BCADHN COCCN1C[C@@H](C)[C@H](NC(=O)C(C)C)C1 ZINC001079432300 712348936 /nfs/dbraw/zinc/34/89/36/712348936.db2.gz DNFPDQMPDTWHKF-GHMZBOCLSA-N 0 3 228.336 0.725 20 0 BCADHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cnon2)C1 ZINC001080649411 712353722 /nfs/dbraw/zinc/35/37/22/712353722.db2.gz VHZZERFRSHANQM-PSASIEDQSA-N 0 3 238.291 0.528 20 0 BCADHN Cc1cc(N(C)[C@@H]2CCC[C@H]2O)nc(N)n1 ZINC000378729571 712359802 /nfs/dbraw/zinc/35/98/02/712359802.db2.gz KKJNLFZQQPFHIL-RKDXNWHRSA-N 0 3 222.292 0.547 20 0 BCADHN CC[C@]1(NCCS(C)(=O)=O)CCOC1 ZINC000378833577 712363564 /nfs/dbraw/zinc/36/35/64/712363564.db2.gz LCPQFGWQGHSGNP-VIFPVBQESA-N 0 3 221.322 0.190 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)CCc1ccncc1 ZINC000379062266 712368509 /nfs/dbraw/zinc/36/85/09/712368509.db2.gz SEOHTNTZSUWORI-UHFFFAOYSA-N 0 3 237.303 0.624 20 0 BCADHN CCOC1CC(CC(=O)[N-]OCC[NH+](C)C)C1 ZINC000379052173 712368512 /nfs/dbraw/zinc/36/85/12/712368512.db2.gz KLAXRNGZMIRGCL-UHFFFAOYSA-N 0 3 244.335 0.801 20 0 BCADHN Cc1nn(C)c(C)c1C(=O)NOCCN(C)C ZINC000379055300 712368710 /nfs/dbraw/zinc/36/87/10/712368710.db2.gz MUAUCBJRQMOUHT-UHFFFAOYSA-N 0 3 240.307 0.260 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)CCc1ccccn1 ZINC000379049572 712368730 /nfs/dbraw/zinc/36/87/30/712368730.db2.gz IOGYWEAMOHVQMU-UHFFFAOYSA-N 0 3 237.303 0.624 20 0 BCADHN CN(C)CCONC(=O)c1cccnc1 ZINC000379108359 712369440 /nfs/dbraw/zinc/36/94/40/712369440.db2.gz RCNRTPCEBAINOR-UHFFFAOYSA-N 0 3 209.249 0.305 20 0 BCADHN CC[C@@H](CO)N(C)c1ccnc(CO)c1 ZINC000379176519 712371019 /nfs/dbraw/zinc/37/10/19/712371019.db2.gz QSSRRXJUHVNOFF-JTQLQIEISA-N 0 3 210.277 0.781 20 0 BCADHN CC[C@H](CNCCS(C)(=O)=O)OC ZINC000379359837 712376182 /nfs/dbraw/zinc/37/61/82/712376182.db2.gz ZZGMHXGFOXORES-MRVPVSSYSA-N 0 3 209.311 0.046 20 0 BCADHN COCCN(C)C(=O)[C@@H](N)CC1CC1 ZINC000379585792 712389409 /nfs/dbraw/zinc/38/94/09/712389409.db2.gz QAQNWAZVWVNLOG-VIFPVBQESA-N 0 3 200.282 0.219 20 0 BCADHN CC(=O)CCN1CCC2(CNC(=O)O2)CC1 ZINC000781991956 712417326 /nfs/dbraw/zinc/41/73/26/712417326.db2.gz IGVHSPJEWTYSTI-UHFFFAOYSA-N 0 3 226.276 0.540 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CCC3(CCC3)O2)C[C@H]1O ZINC000712505542 712432304 /nfs/dbraw/zinc/43/23/04/712432304.db2.gz VCZCXQFQTAWRPT-IJLUTSLNSA-N 0 3 241.331 0.780 20 0 BCADHN CCN1CC[C@@H]1CNc1ccnc(C(N)=O)c1 ZINC000712594647 712436200 /nfs/dbraw/zinc/43/62/00/712436200.db2.gz NFTMBNWFJBKVQQ-SNVBAGLBSA-N 0 3 234.303 0.109 20 0 BCADHN COc1cccc(CNC[C@H]2CCN2C)n1 ZINC000712539541 712443335 /nfs/dbraw/zinc/44/33/35/712443335.db2.gz WWBFJMRCNGCVJV-LLVKDONJSA-N 0 3 221.304 0.884 20 0 BCADHN C[C@@H](NC[C@H]1CCN1C)c1cn(C)cn1 ZINC000712567407 712447121 /nfs/dbraw/zinc/44/71/21/712447121.db2.gz XNUZLDXHOFNQNF-NXEZZACHSA-N 0 3 208.309 0.775 20 0 BCADHN O=S1(=O)CCC[C@H]1CCNCc1cn[nH]c1 ZINC000714346693 712483412 /nfs/dbraw/zinc/48/34/12/712483412.db2.gz FRINWIQUTYKPOX-JTQLQIEISA-N 0 3 243.332 0.467 20 0 BCADHN CCNC(=O)[C@@H](C)NC[C@H]1COC(C)(C)O1 ZINC000715066613 712505089 /nfs/dbraw/zinc/50/50/89/712505089.db2.gz OGCOXLMFZASQET-BDAKNGLRSA-N 0 3 230.308 0.252 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC[C@H]1COC(C)(C)O1 ZINC000715120954 712510387 /nfs/dbraw/zinc/51/03/87/712510387.db2.gz HDSSCUOZFNFJNV-ZJUUUORDSA-N 0 3 244.335 0.594 20 0 BCADHN Cc1n[nH]cc1CNCCNC(=O)C(C)C ZINC000036901585 712513678 /nfs/dbraw/zinc/51/36/78/712513678.db2.gz JCZSGZFREWLYNS-UHFFFAOYSA-N 0 3 224.308 0.580 20 0 BCADHN Cn1nncc1CNC[C@@H]1CC[C@H](C2CC2)O1 ZINC000715450034 712519245 /nfs/dbraw/zinc/51/92/45/712519245.db2.gz FKJCFQDKQPAKSO-NWDGAFQWSA-N 0 3 236.319 0.862 20 0 BCADHN CC[C@H](N)c1cn(Cc2n[nH]cc2C)nn1 ZINC000715448631 712519248 /nfs/dbraw/zinc/51/92/48/712519248.db2.gz YPIPLXDCQBYKJW-QMMMGPOBSA-N 0 3 220.280 0.768 20 0 BCADHN OCCN(CCO)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715533873 712525954 /nfs/dbraw/zinc/52/59/54/712525954.db2.gz JUCQUTJUNDBSNA-NWDGAFQWSA-N 0 3 229.320 0.231 20 0 BCADHN C[C@@H](N[C@@H]1CCN(C)C1)c1cn(C)nn1 ZINC000715836630 712534707 /nfs/dbraw/zinc/53/47/07/712534707.db2.gz KPMWABDANQEYOU-RKDXNWHRSA-N 0 3 209.297 0.170 20 0 BCADHN COC[C@@H](C)CN[C@H](C)c1cn(C)nn1 ZINC000715881136 712539286 /nfs/dbraw/zinc/53/92/86/712539286.db2.gz YBRVJHOGHRCVIK-DTWKUNHWSA-N 0 3 212.297 0.748 20 0 BCADHN C[C@@H](N[C@H]1CCN(C2CC2)C1)c1cn(C)nn1 ZINC000715876194 712538819 /nfs/dbraw/zinc/53/88/19/712538819.db2.gz GLMDASKHOGYQPT-ZJUUUORDSA-N 0 3 235.335 0.702 20 0 BCADHN CC[C@@H](CCO)CN[C@@H](C)c1cn(C)nn1 ZINC000715878995 712539157 /nfs/dbraw/zinc/53/91/57/712539157.db2.gz RHQFJNKBPFZIDJ-UWVGGRQHSA-N 0 3 226.324 0.874 20 0 BCADHN COCCNCC(=O)NCC[C@H]1CCCS1 ZINC000715895388 712540661 /nfs/dbraw/zinc/54/06/61/712540661.db2.gz PXGYIQRXEPQFQP-SNVBAGLBSA-N 0 3 246.376 0.624 20 0 BCADHN C[C@H](NC[C@H]1CC[C@H](O)C1)c1cn(C)nn1 ZINC000715914450 712542116 /nfs/dbraw/zinc/54/21/16/712542116.db2.gz UMIAODPTPDHUMZ-GUBZILKMSA-N 0 3 224.308 0.627 20 0 BCADHN C[C@@H](NC[C@@H]1CCCOC1)c1cn(C)nn1 ZINC000715915879 712542221 /nfs/dbraw/zinc/54/22/21/712542221.db2.gz WAIRKKBTBCPXHA-ZJUUUORDSA-N 0 3 224.308 0.892 20 0 BCADHN CCCN1CC[C@@H](N[C@H](C)c2cn(C)nn2)C1 ZINC000715927357 712543315 /nfs/dbraw/zinc/54/33/15/712543315.db2.gz JZVYNOOSJRJOOK-GHMZBOCLSA-N 0 3 237.351 0.950 20 0 BCADHN O[C@@H]1CN(C[C@H]2CCC3(CCC3)CO2)C[C@@H]1O ZINC000716314860 712554176 /nfs/dbraw/zinc/55/41/76/712554176.db2.gz GJWPMXHHFIXVFR-UTUOFQBUSA-N 0 3 241.331 0.373 20 0 BCADHN COC(OC)[C@@H](C)NCc1[nH]ncc1C ZINC000716461281 712562783 /nfs/dbraw/zinc/56/27/83/712562783.db2.gz KLUWCUKGYHLGIO-MRVPVSSYSA-N 0 3 213.281 0.815 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)/C=C/c1cccnc1 ZINC000716735732 712571576 /nfs/dbraw/zinc/57/15/76/712571576.db2.gz MWSXNJBOIAAQNY-BTDICHCPSA-N 0 3 249.314 0.134 20 0 BCADHN CCS(=O)(=O)CCNCC[C@@H](O)C(F)F ZINC000716767306 712572779 /nfs/dbraw/zinc/57/27/79/712572779.db2.gz YZXYKEHHOMQWDL-SSDOTTSWSA-N 0 3 245.291 0.027 20 0 BCADHN CCS(=O)(=O)CCNCC[C@H](O)C(F)F ZINC000716767307 712572853 /nfs/dbraw/zinc/57/28/53/712572853.db2.gz YZXYKEHHOMQWDL-ZETCQYMHSA-N 0 3 245.291 0.027 20 0 BCADHN CCS(=O)(=O)CCN[C@H](C)[C@H]1CCCO1 ZINC000037371165 712578029 /nfs/dbraw/zinc/57/80/29/712578029.db2.gz LKEVAHYWXOWRPT-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN COC[C@@](C)(CO)NC[C@H](O)c1ccccc1 ZINC000716882543 712580091 /nfs/dbraw/zinc/58/00/91/712580091.db2.gz BGOOZHDCKPSBEY-QWHCGFSZSA-N 0 3 239.315 0.707 20 0 BCADHN CC(=O)C[C@@H](C)NC(=O)C12CCN(CC1)C2 ZINC000717013231 712604657 /nfs/dbraw/zinc/60/46/57/712604657.db2.gz VXXLQIIWHXFYCR-SECBINFHSA-N 0 3 224.304 0.566 20 0 BCADHN Cc1ccnn1CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000876795243 712629758 /nfs/dbraw/zinc/62/97/58/712629758.db2.gz DPUPPZGMBRQAIE-ONGXEEELSA-N 0 3 236.319 0.400 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cccc(F)c1 ZINC000717275022 712641858 /nfs/dbraw/zinc/64/18/58/712641858.db2.gz BYJKQBYMTOWMBC-KWQFWETISA-N 0 3 213.252 0.657 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1ccc(F)cc1 ZINC000717278094 712642262 /nfs/dbraw/zinc/64/22/62/712642262.db2.gz PYMVVRDFDIDAAH-KWQFWETISA-N 0 3 213.252 0.657 20 0 BCADHN Cn1cc(NC(=O)[C@@H](N)CC2CC2)ccc1=O ZINC000379984777 712643930 /nfs/dbraw/zinc/64/39/30/712643930.db2.gz QMNSWMXXTOIWTO-JTQLQIEISA-N 0 3 235.287 0.451 20 0 BCADHN CC(C)n1cncc1CNC[C@@H](O)[C@H](C)O ZINC000717306065 712646042 /nfs/dbraw/zinc/64/60/42/712646042.db2.gz HZEDJIMSVBYSEI-GXSJLCMTSA-N 0 3 227.308 0.295 20 0 BCADHN COc1cccc(CNC[C@@H](O)[C@@H](C)O)c1 ZINC000717308887 712646216 /nfs/dbraw/zinc/64/62/16/712646216.db2.gz RAKLDFWPWXXPCM-BXKDBHETSA-N 0 3 225.288 0.527 20 0 BCADHN COc1cc(F)cc(CNC[C@@H](O)[C@H](C)O)c1 ZINC000717357009 712650416 /nfs/dbraw/zinc/65/04/16/712650416.db2.gz AFSSKSJVXHEYSU-QPUJVOFHSA-N 0 3 243.278 0.666 20 0 BCADHN COc1ccc(C)cc1CNC[C@@H](O)[C@@H](C)O ZINC000717394702 712654165 /nfs/dbraw/zinc/65/41/65/712654165.db2.gz KEJOUIWXRPBXPL-ZYHUDNBSSA-N 0 3 239.315 0.835 20 0 BCADHN COc1ccc(CNC[C@@H](O)[C@H](C)O)cc1F ZINC000717404034 712655838 /nfs/dbraw/zinc/65/58/38/712655838.db2.gz LCZWIYRVVKUKFC-GZMMTYOYSA-N 0 3 243.278 0.666 20 0 BCADHN Cc1sccc1CNC[C@@H](O)[C@@H](C)O ZINC000717417262 712656794 /nfs/dbraw/zinc/65/67/94/712656794.db2.gz DKVKWWYIZKHVOP-GMSGAONNSA-N 0 3 215.318 0.888 20 0 BCADHN Cc1sccc1CNC[C@@H](O)[C@H](C)O ZINC000717417264 712656835 /nfs/dbraw/zinc/65/68/35/712656835.db2.gz DKVKWWYIZKHVOP-OIBJUYFYSA-N 0 3 215.318 0.888 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1cccc(O)c1 ZINC000717428020 712658415 /nfs/dbraw/zinc/65/84/15/712658415.db2.gz OVQRDTBGVDYBOC-LDYMZIIASA-N 0 3 211.261 0.224 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000717620442 712662943 /nfs/dbraw/zinc/66/29/43/712662943.db2.gz WFFKFJIQZDNKLL-YUMQZZPRSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@@H]1CN(C(=O)COC2CC2)[C@@H](C)CN1 ZINC000717664688 712663616 /nfs/dbraw/zinc/66/36/16/712663616.db2.gz JHJOUTTYGNDFRY-BDAKNGLRSA-N 0 3 212.293 0.374 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@H](CO)CC(F)F ZINC000717707966 712664354 /nfs/dbraw/zinc/66/43/54/712664354.db2.gz PHSITLDPJPEZSI-YUMQZZPRSA-N 0 3 239.262 0.744 20 0 BCADHN CNC(=O)c1ccccc1NC(=O)CNC1CC1 ZINC000037609149 712676935 /nfs/dbraw/zinc/67/69/35/712676935.db2.gz QBOHATDFQYQODX-UHFFFAOYSA-N 0 3 247.298 0.737 20 0 BCADHN C[C@H](NCCS(C)(=O)=O)[C@H]1CCCO1 ZINC000037743432 712753894 /nfs/dbraw/zinc/75/38/94/712753894.db2.gz UZBHCXAVPSHDRS-DTWKUNHWSA-N 0 3 221.322 0.188 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2C[C@@H](C)NC[C@H]2C)C1 ZINC000718497924 712767278 /nfs/dbraw/zinc/76/72/78/712767278.db2.gz BXCWJJJOQHNHRP-ZDCRXTMVSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N2CCNCC2(C)C)C1 ZINC000718509769 712768082 /nfs/dbraw/zinc/76/80/82/712768082.db2.gz QOPMHFFPTRPKDN-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2CCN[C@H](C)[C@H]2C)C1 ZINC000718538527 712771584 /nfs/dbraw/zinc/77/15/84/712771584.db2.gz BLPJFCBYWGYFLV-ZDCRXTMVSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2CCN[C@@H](C)[C@@H]2C)C1 ZINC000718538518 712771633 /nfs/dbraw/zinc/77/16/33/712771633.db2.gz BLPJFCBYWGYFLV-NAKRPEOUSA-N 0 3 226.320 0.620 20 0 BCADHN Cn1cc(CN2CC[C@@H](C3OCCO3)C2)cn1 ZINC000719079536 712796124 /nfs/dbraw/zinc/79/61/24/712796124.db2.gz JBPJYJLITBKSIR-LLVKDONJSA-N 0 3 237.303 0.615 20 0 BCADHN CC[C@@H](COC)NC(=O)c1c(CN)cnn1C ZINC000719189425 712799682 /nfs/dbraw/zinc/79/96/82/712799682.db2.gz BFQXPISPLSIRBX-VIFPVBQESA-N 0 3 240.307 0.034 20 0 BCADHN Cc1cncc(NC(=O)c2c(CN)cnn2C)c1 ZINC000719232433 712800713 /nfs/dbraw/zinc/80/07/13/712800713.db2.gz SWABLCWWKBGAOL-UHFFFAOYSA-N 0 3 245.286 0.835 20 0 BCADHN C[C@H]1CCC[C@H]1NC(=O)c1c(CN)cnn1C ZINC000719244327 712801572 /nfs/dbraw/zinc/80/15/72/712801572.db2.gz LHQJVHNILUGBTF-WCBMZHEXSA-N 0 3 236.319 0.797 20 0 BCADHN Cn1ncc(CN)c1C(=O)N[C@@H]1C=CCC1 ZINC000719264749 712802152 /nfs/dbraw/zinc/80/21/52/712802152.db2.gz ZIYUIOUAGUCDIE-SECBINFHSA-N 0 3 220.276 0.327 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C ZINC000719340598 712804627 /nfs/dbraw/zinc/80/46/27/712804627.db2.gz FAEISDARYKKZFX-WPRPVWTQSA-N 0 3 235.287 0.610 20 0 BCADHN CC(C)NC(=S)N[C@@H]1CCN(C)[C@@H]1C ZINC000719368198 712806028 /nfs/dbraw/zinc/80/60/28/712806028.db2.gz USVOCDCCLIZBKB-RKDXNWHRSA-N 0 3 215.366 0.952 20 0 BCADHN COCCNC(=S)N[C@H]1CCN(C)[C@@H]1C ZINC000719365075 712806080 /nfs/dbraw/zinc/80/60/80/712806080.db2.gz HYHVYGYQWHNUDJ-BDAKNGLRSA-N 0 3 231.365 0.190 20 0 BCADHN CC(C)NC(=S)N[C@@H]1CCN(C)[C@H]1C ZINC000719368195 712806125 /nfs/dbraw/zinc/80/61/25/712806125.db2.gz USVOCDCCLIZBKB-DTWKUNHWSA-N 0 3 215.366 0.952 20 0 BCADHN COc1cc(N[C@H]2CCN(C)[C@H]2C)ncn1 ZINC000719571246 712810665 /nfs/dbraw/zinc/81/06/65/712810665.db2.gz RTAAGNWBRSXHEQ-IUCAKERBSA-N 0 3 222.292 0.990 20 0 BCADHN Cc1cc(CN[C@@H]2CCN(C)[C@H]2C)nn1C ZINC000719575165 712811798 /nfs/dbraw/zinc/81/17/98/712811798.db2.gz FOVFORRTYKJKMO-CMPLNLGQSA-N 0 3 222.336 0.911 20 0 BCADHN C[C@@H](C(N)=O)N1CCC[C@H](C(C)(C)O)C1 ZINC000719686017 712821317 /nfs/dbraw/zinc/82/13/17/712821317.db2.gz CINQUTSZUWRZDH-IUCAKERBSA-N 0 3 214.309 0.343 20 0 BCADHN C[C@H](N[C@@H]1CCN(C)[C@@H]1C)c1cn(C)nn1 ZINC000719597072 712813274 /nfs/dbraw/zinc/81/32/74/712813274.db2.gz CMAAHFZRSWQVDZ-IVZWLZJFSA-N 0 3 223.324 0.558 20 0 BCADHN CC(C)(O)[C@H]1CCCN(CC(=O)NC2CC2)C1 ZINC000719639613 712815135 /nfs/dbraw/zinc/81/51/35/712815135.db2.gz CCYMACKITBSQGW-JTQLQIEISA-N 0 3 240.347 0.748 20 0 BCADHN CN(CCOCCO)CCc1ccns1 ZINC000719850867 712826305 /nfs/dbraw/zinc/82/63/05/712826305.db2.gz YYVVTCRNBYLFTL-UHFFFAOYSA-N 0 3 230.333 0.626 20 0 BCADHN CC(C)OC[C@H](O)CN1CCO[C@@H](C)CC1 ZINC000720424796 712841723 /nfs/dbraw/zinc/84/17/23/712841723.db2.gz BUUVWZVGJWKWMH-NWDGAFQWSA-N 0 3 231.336 0.883 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cn[nH]c1 ZINC000720808792 712867370 /nfs/dbraw/zinc/86/73/70/712867370.db2.gz DNDNIPPNGSYRPS-QWRGUYRKSA-N 0 3 234.303 0.718 20 0 BCADHN Cc1nc(N)nc(N2CC[C@@H]3[C@H]2CCCN3C)n1 ZINC000720816082 712868082 /nfs/dbraw/zinc/86/80/82/712868082.db2.gz MVFZAWYGGNYVGL-NXEZZACHSA-N 0 3 248.334 0.435 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)O ZINC000720841692 712870222 /nfs/dbraw/zinc/87/02/22/712870222.db2.gz UMFGPXKXFRBDJO-UWVGGRQHSA-N 0 3 226.320 0.452 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720877437 712872971 /nfs/dbraw/zinc/87/29/71/712872971.db2.gz NHESLNFRHPCLTH-VWYCJHECSA-N 0 3 226.320 0.716 20 0 BCADHN CCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720879174 712873232 /nfs/dbraw/zinc/87/32/32/712873232.db2.gz VNIZYTIPBLMDGN-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN O[C@H](CNCc1cnc[nH]1)c1ccco1 ZINC000380307918 712873770 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398166605 /nfs/dbraw/zinc/16/66/05/398166605.db2.gz NHPUDRCCYPAMHF-UHFFFAOYSA-N 0 3 238.339 0.128 20 0 BCADHN CC(C)[C@H]1C[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000574889045 398186171 /nfs/dbraw/zinc/18/61/71/398186171.db2.gz ONGRXBJIGOJPDU-WYUUTHIRSA-N 0 3 240.347 0.412 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@@H]([C@@H](C)O)C1 ZINC000576223907 365526944 /nfs/dbraw/zinc/52/69/44/365526944.db2.gz VQJQAWFLYUWESH-GHMZBOCLSA-N 0 3 243.351 0.397 20 0 BCADHN Cc1cc(F)ccc1CN1C[C@H](O)[C@@H](CO)C1 ZINC000316557773 178086190 /nfs/dbraw/zinc/08/61/90/178086190.db2.gz SHUPZESAIRBBDD-YPMHNXCESA-N 0 3 239.290 0.919 20 0 BCADHN Cc1cc(F)ccc1CNC[C@H](O)CO ZINC000083347376 178087414 /nfs/dbraw/zinc/08/74/14/178087414.db2.gz STCCNAFOPWYMCK-NSHDSACASA-N 0 3 213.252 0.577 20 0 BCADHN CC/C=C\CCN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000342234026 365540356 /nfs/dbraw/zinc/54/03/56/365540356.db2.gz PVXSVRCMBXHAGH-DOGVGXBMSA-N 0 3 246.376 0.966 20 0 BCADHN C[C@H](N[C@@H]1CCC[C@@]1(C)CO)C(=O)N(C)C ZINC000309521850 136218982 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AQGKTAZOVRFYDB-RITPCOANSA-N 0 3 235.334 0.157 20 0 BCADHN OCCN1CCNC[C@@H]1c1ccccc1F ZINC000616635505 398208308 /nfs/dbraw/zinc/20/83/08/398208308.db2.gz AKHKNVZUYIWHPR-GFCCVEGCSA-N 0 3 224.279 0.764 20 0 BCADHN Cc1cc(NC(=O)[C@@H](N)CC(F)F)n(C)n1 ZINC000336656827 178143757 /nfs/dbraw/zinc/14/37/57/178143757.db2.gz LSCJJYUSZDPEAG-LURJTMIESA-N 0 3 232.234 0.650 20 0 BCADHN C[C@H]1[C@H](NC(=O)NCCCCO)CCCN1C ZINC000426208959 398215738 /nfs/dbraw/zinc/21/57/38/398215738.db2.gz FXBPFRRQFDOEQB-WDEREUQCSA-N 0 3 243.351 0.541 20 0 BCADHN Cc1cc(NC(=O)[C@H](C)N)ccc1C(N)=O ZINC000262513828 178146334 /nfs/dbraw/zinc/14/63/34/178146334.db2.gz FKRHSRQJWDLWHP-ZETCQYMHSA-N 0 3 221.260 0.380 20 0 BCADHN Cc1cc(NC(=O)[C@H](N)C(C)C)n(C)n1 ZINC000077488066 178148034 /nfs/dbraw/zinc/14/80/34/178148034.db2.gz GSCHIQGUJPOREM-SECBINFHSA-N 0 3 210.281 0.650 20 0 BCADHN Cc1cc(NC(=O)[C@H]2C[C@@H](O)CN2)ccn1 ZINC000237724971 178148864 /nfs/dbraw/zinc/14/88/64/178148864.db2.gz PLIFJWVLZLMABU-NXEZZACHSA-N 0 3 221.260 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CC(C)N(Cc1cccn1C)C[C@@H](O)CO ZINC000421408420 192332083 /nfs/dbraw/zinc/33/20/83/192332083.db2.gz LCSCUYQXVZTKAD-GFCCVEGCSA-N 0 3 226.320 0.589 20 0 BCADHN CCC[C@@](C)(NC(=O)[C@H](N)CC)C(=O)OC ZINC000129355513 343988627 /nfs/dbraw/zinc/98/86/27/343988627.db2.gz XIBIVRKBNPTUEI-LDYMZIIASA-N 0 3 230.308 0.572 20 0 BCADHN C[C@H]1OCC[C@H]1NC(=O)C1CCN(C)CC1 ZINC000334233778 136224482 /nfs/dbraw/zinc/22/44/82/136224482.db2.gz YMKDSSWFMVYVOU-MWLCHTKSSA-N 0 3 226.320 0.622 20 0 BCADHN O=C(CC(F)(F)F)NCCN1CC[C@H](O)C1 ZINC000629912246 361766275 /nfs/dbraw/zinc/76/62/75/361766275.db2.gz CETHFMFJPBXKPK-ZETCQYMHSA-N 0 3 240.225 0.122 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)CCc1cn[nH]c1 ZINC000629952548 361797082 /nfs/dbraw/zinc/79/70/82/361797082.db2.gz OGGJKWGUYDWWST-LLVKDONJSA-N 0 3 236.319 0.553 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCOC[C@@H]1C ZINC000432439326 398236827 /nfs/dbraw/zinc/23/68/27/398236827.db2.gz BNXVLRKMOFFKLW-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN Cc1cc([C@H](C)NCCCOCCO)nn1C ZINC000337364526 178246740 /nfs/dbraw/zinc/24/67/40/178246740.db2.gz AWCPEHUEIDOGAD-NSHDSACASA-N 0 3 241.335 0.778 20 0 BCADHN CCOC(=O)CCNC(=O)[C@H](N)CCC(C)C ZINC000602441147 349527321 /nfs/dbraw/zinc/52/73/21/349527321.db2.gz USIGXOCYWXDDKZ-SNVBAGLBSA-N 0 3 244.335 0.819 20 0 BCADHN Cc1cc([C@H](C)NC[C@@H](O)CN(C)C)nn1C ZINC000330372604 178249220 /nfs/dbraw/zinc/24/92/20/178249220.db2.gz BWBQYINBBDCWBS-WDEREUQCSA-N 0 3 240.351 0.302 20 0 BCADHN CCN[C@H](C)C(=O)NCCCSC ZINC000602439281 349525827 /nfs/dbraw/zinc/52/58/27/349525827.db2.gz JGMQIUHCOVUBFJ-MRVPVSSYSA-N 0 3 204.339 0.854 20 0 BCADHN CN(C)C1(C(=O)NCCNc2ccncc2)CC1 ZINC000629950587 361795501 /nfs/dbraw/zinc/79/55/01/361795501.db2.gz SNKVNFLLRJZMHX-UHFFFAOYSA-N 0 3 248.330 0.126 20 0 BCADHN C[C@@H]1CCN1C(=O)NCCN(C)C1CC1 ZINC000602441929 349527706 /nfs/dbraw/zinc/52/77/06/349527706.db2.gz XNKLPZHFPVTNLF-SECBINFHSA-N 0 3 211.309 0.884 20 0 BCADHN C[C@H](C(=O)N(C)CCN(C)C)c1cncnc1 ZINC000629968138 361816694 /nfs/dbraw/zinc/81/66/94/361816694.db2.gz XBRDKJQBASTCNX-JTQLQIEISA-N 0 3 236.319 0.600 20 0 BCADHN CO[C@H](C)CN(C)C1(C(N)=O)CCCC1 ZINC000182366046 398242249 /nfs/dbraw/zinc/24/22/49/398242249.db2.gz QLKIMGLPHYQJNM-SECBINFHSA-N 0 3 214.309 0.751 20 0 BCADHN CC[C@@H](C)N(C)CCNc1nccn(C)c1=O ZINC000230903010 398248273 /nfs/dbraw/zinc/24/82/73/398248273.db2.gz OJTCCKXTKQYMHR-SNVBAGLBSA-N 0 3 238.335 0.923 20 0 BCADHN C[C@@H](F)CCNC[C@H](C)S(C)(=O)=O ZINC000517230312 259308610 /nfs/dbraw/zinc/30/86/10/259308610.db2.gz CDBPTEIQORQUEI-SFYZADRCSA-N 0 3 211.302 0.757 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1COc2ccccc2C1 ZINC000129390119 343994284 /nfs/dbraw/zinc/99/42/84/343994284.db2.gz DTPGHLBYXGZKQO-GHMZBOCLSA-N 0 3 234.299 0.844 20 0 BCADHN CCC(CC)CS(=O)(=O)N(C)CCNC ZINC000309490607 168365748 /nfs/dbraw/zinc/36/57/48/168365748.db2.gz IKVGVHNMUMGHJD-UHFFFAOYSA-N 0 3 236.381 0.904 20 0 BCADHN CC1(C)[C@@H](O)C[C@@H]1NCc1cncnc1 ZINC000168192650 538945269 /nfs/dbraw/zinc/94/52/69/538945269.db2.gz 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AODASYYUGTWWOT-HRDYMLBCSA-N 0 3 223.338 0.026 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1CCOC(C)(C)C1 ZINC000036232573 398258454 /nfs/dbraw/zinc/25/84/54/398258454.db2.gz QQZGHGJXEYGQDL-SNVBAGLBSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@H]1NCC1(C)C ZINC000381579425 398254365 /nfs/dbraw/zinc/25/43/65/398254365.db2.gz DSOMLESZDPZUSZ-RKDXNWHRSA-N 0 3 214.309 0.262 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC1CCOCC1 ZINC000036319731 398261385 /nfs/dbraw/zinc/26/13/85/398261385.db2.gz XEWIBYHXKXFISR-JTQLQIEISA-N 0 3 214.309 0.655 20 0 BCADHN CCC[C@@](C)(NC(=O)[C@H](C)NCC)C(=O)OC ZINC000602445255 349546146 /nfs/dbraw/zinc/54/61/46/349546146.db2.gz STRDXDSNXQCEFF-JOYOIKCWSA-N 0 3 244.335 0.832 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000629978273 361827423 /nfs/dbraw/zinc/82/74/23/361827423.db2.gz GYTPKFABYDCNTD-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN CCN[C@H](C)C(=O)N[C@](C)(CC)C(=O)OC ZINC000602449770 349550477 /nfs/dbraw/zinc/55/04/77/349550477.db2.gz RYXYTUBSBIXXRU-LDYMZIIASA-N 0 3 230.308 0.442 20 0 BCADHN COC(=O)[C@H](C)CNC(=O)[C@@H](N)CCC(C)C ZINC000602453971 349553859 /nfs/dbraw/zinc/55/38/59/349553859.db2.gz LWVOQTBTKQAEPQ-ZJUUUORDSA-N 0 3 244.335 0.675 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000561767902 323006630 /nfs/dbraw/zinc/00/66/30/323006630.db2.gz DCVQPAKFZZKXOX-IVZWLZJFSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC000629979523 361826835 /nfs/dbraw/zinc/82/68/35/361826835.db2.gz XKIZMPTZESWUDR-VIFPVBQESA-N 0 3 214.309 0.310 20 0 BCADHN CCN[C@@H](C)C(=O)NC(C)(C)C(=O)OC ZINC000602443528 349543874 /nfs/dbraw/zinc/54/38/74/349543874.db2.gz DTHOMXSAPIBURP-ZETCQYMHSA-N 0 3 216.281 0.052 20 0 BCADHN COC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(C)C ZINC000602443182 349543980 /nfs/dbraw/zinc/54/39/80/349543980.db2.gz HISUEWPHPPTKKW-IUCAKERBSA-N 0 3 230.308 0.428 20 0 BCADHN CCN[C@@H](C)C(=O)NCCCC(=O)OCC ZINC000602443030 349544175 /nfs/dbraw/zinc/54/41/75/349544175.db2.gz FZYTWNAYIHLCQW-VIFPVBQESA-N 0 3 230.308 0.444 20 0 BCADHN CNCc1cccc(NC(=O)Cn2cncn2)c1 ZINC000036282482 398260567 /nfs/dbraw/zinc/26/05/67/398260567.db2.gz HSGBWEMNXPTPPG-UHFFFAOYSA-N 0 3 245.286 0.636 20 0 BCADHN CCN[C@@H](C)C(=O)NCCCC(=O)OC(C)C ZINC000602501685 349561431 /nfs/dbraw/zinc/56/14/31/349561431.db2.gz FAUDHVDCNQOMNN-JTQLQIEISA-N 0 3 244.335 0.832 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)[C@@H](C)C(=O)OCC ZINC000602501564 349561573 /nfs/dbraw/zinc/56/15/73/349561573.db2.gz FCWGZTQOFZFIGI-OPRDCNLKSA-N 0 3 244.335 0.688 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)[C@H](C)C(=O)OCC ZINC000602501562 349561638 /nfs/dbraw/zinc/56/16/38/349561638.db2.gz FCWGZTQOFZFIGI-LPEHRKFASA-N 0 3 244.335 0.688 20 0 BCADHN COC(=O)c1cc(CN[C@@H]2CC[C@H]2O)c[nH]1 ZINC000378733171 346820575 /nfs/dbraw/zinc/82/05/75/346820575.db2.gz LRUMAAHUBLQFTP-PSASIEDQSA-N 0 3 224.260 0.414 20 0 BCADHN CCN(C)S(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000081183194 398266748 /nfs/dbraw/zinc/26/67/48/398266748.db2.gz QCKNOLNHRJMKLQ-JTQLQIEISA-N 0 3 249.380 0.114 20 0 BCADHN COC[C@@H](C)CN1CCN(C[C@H](C)O)CC1 ZINC000188579852 346822870 /nfs/dbraw/zinc/82/28/70/346822870.db2.gz QIOZPLYDLFZSIW-RYUDHWBXSA-N 0 3 230.352 0.267 20 0 BCADHN COCCNCCNC(=O)N(C)C1CCCC1 ZINC000418483413 192040395 /nfs/dbraw/zinc/04/03/95/192040395.db2.gz CFOBCSJJRMAAFJ-UHFFFAOYSA-N 0 3 243.351 0.806 20 0 BCADHN CCN[C@H](C)C(=O)N1CCCC[C@@H]1C(=O)OC ZINC000602499310 349559699 /nfs/dbraw/zinc/55/96/99/349559699.db2.gz JFLQAUYFUSHTFU-NXEZZACHSA-N 0 3 242.319 0.539 20 0 BCADHN CC[C@@H]1C[C@@H](C(=O)NCCN(C)C)CCO1 ZINC000162146533 349575918 /nfs/dbraw/zinc/57/59/18/349575918.db2.gz LWGJCNIBZLAKIU-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN COC[C@@H](C)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000090181056 398270562 /nfs/dbraw/zinc/27/05/62/398270562.db2.gz UFLFVPCEEMWXFH-BDAKNGLRSA-N 0 3 212.293 0.374 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C1=CCCCC1 ZINC000188625557 346830102 /nfs/dbraw/zinc/83/01/02/346830102.db2.gz BXMRYTFNZPHOOW-ZDUSSCGKSA-N 0 3 240.347 0.916 20 0 BCADHN COC(=O)[C@H](CNC(=O)CN)C1CCCCC1 ZINC000602544706 349588859 /nfs/dbraw/zinc/58/88/59/349588859.db2.gz JRIIVXCTQLDGKU-SNVBAGLBSA-N 0 3 242.319 0.431 20 0 BCADHN COC(=O)c1cc(CNC[C@H](C)CCO)on1 ZINC000602559059 349598932 /nfs/dbraw/zinc/59/89/32/349598932.db2.gz AWNVDSWXJXEGFF-MRVPVSSYSA-N 0 3 242.275 0.569 20 0 BCADHN O=C(NCc1ccc(F)cn1)[C@H]1CCCCN1 ZINC000334636251 398271884 /nfs/dbraw/zinc/27/18/84/398271884.db2.gz XPRTYJBXAOJDFR-LLVKDONJSA-N 0 3 237.278 0.979 20 0 BCADHN CN1CC=C(CNC(=O)CCc2cn[nH]c2)CC1 ZINC000629978223 361828006 /nfs/dbraw/zinc/82/80/06/361828006.db2.gz MNEMLPQYIKKUFO-UHFFFAOYSA-N 0 3 248.330 0.720 20 0 BCADHN CSCCCNCc1cnc(N)nc1N ZINC000602553326 349595406 /nfs/dbraw/zinc/59/54/06/349595406.db2.gz SDDKXSKWAIWQNK-UHFFFAOYSA-N 0 3 227.337 0.144 20 0 BCADHN COC(=O)c1[nH]c(CN[C@H](C)CCO)cc1C ZINC000602555666 349596930 /nfs/dbraw/zinc/59/69/30/349596930.db2.gz HDEPUKCPNYFQDI-SECBINFHSA-N 0 3 240.303 0.970 20 0 BCADHN CCC(CC)NC(=O)NC[C@](C)(O)CN(C)C ZINC000119968099 168380239 /nfs/dbraw/zinc/38/02/39/168380239.db2.gz JAKHHWBZJVWDEC-LBPRGKRZSA-N 0 3 245.367 0.787 20 0 BCADHN CC[C@]1(O)CCN(C(=O)CN(C)C2CCC2)C1 ZINC000629981376 361829691 /nfs/dbraw/zinc/82/96/91/361829691.db2.gz HMVNYZNQJAZQTA-ZDUSSCGKSA-N 0 3 240.347 0.844 20 0 BCADHN Cc1cc(CN[C@H](C)Cn2cncn2)n[nH]1 ZINC000309573007 342684998 /nfs/dbraw/zinc/68/49/98/342684998.db2.gz ODPRRYXSJGNIBY-SECBINFHSA-N 0 3 220.280 0.488 20 0 BCADHN Cc1cc(CN[C@H](C)Cn2cncn2)[nH]n1 ZINC000309573007 342684999 /nfs/dbraw/zinc/68/49/99/342684999.db2.gz ODPRRYXSJGNIBY-SECBINFHSA-N 0 3 220.280 0.488 20 0 BCADHN CC[C@@]1(O)CCN(C(=O)CN(C)C2CCC2)C1 ZINC000629981375 361829828 /nfs/dbraw/zinc/82/98/28/361829828.db2.gz HMVNYZNQJAZQTA-CYBMUJFWSA-N 0 3 240.347 0.844 20 0 BCADHN CCNS(=O)(=O)NCCN(C)C1CCCC1 ZINC000172455783 346858455 /nfs/dbraw/zinc/85/84/55/346858455.db2.gz JGUGVJDOFGCBDW-UHFFFAOYSA-N 0 3 249.380 0.305 20 0 BCADHN C[C@H](N[C@@H](C)[C@@H]1CCCOC1)c1nnnn1C ZINC000345109647 398275487 /nfs/dbraw/zinc/27/54/87/398275487.db2.gz HZOYCNNMDAAPKE-LPEHRKFASA-N 0 3 239.323 0.676 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)C1(C)COC1 ZINC000335601740 136235416 /nfs/dbraw/zinc/23/54/16/136235416.db2.gz YVSVPOFKSWBAND-JTQLQIEISA-N 0 3 226.320 0.576 20 0 BCADHN COC[C@@H]1CCN1C[C@]1(OC)CCOC1 ZINC000639207845 398278080 /nfs/dbraw/zinc/27/80/80/398278080.db2.gz ULLFUAWIGVBJSW-WDEREUQCSA-N 0 3 215.293 0.513 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccc(O)c(OC)c1 ZINC000083365746 398278115 /nfs/dbraw/zinc/27/81/15/398278115.db2.gz WSPUMWAGSPAZGP-VIFPVBQESA-N 0 3 238.287 0.754 20 0 BCADHN COc1cc(CNC(=O)C2(N)CC2)ccc1O ZINC000083363148 398278209 /nfs/dbraw/zinc/27/82/09/398278209.db2.gz HTJRHLAWNMTOPF-UHFFFAOYSA-N 0 3 236.271 0.508 20 0 BCADHN COc1ccnc(N[C@H](C)CN(C)C)n1 ZINC000166546811 361852272 /nfs/dbraw/zinc/85/22/72/361852272.db2.gz NNKQNJGZOKAGIR-MRVPVSSYSA-N 0 3 210.281 0.847 20 0 BCADHN COC(=O)CC1CC(NCc2cn[nH]n2)C1 ZINC000600177495 342696500 /nfs/dbraw/zinc/69/65/00/342696500.db2.gz RPWRTXMMWFKMBE-UHFFFAOYSA-N 0 3 224.264 0.236 20 0 BCADHN CC1CC(NCC(=O)N2CCOCC2)C1 ZINC000166644971 361853958 /nfs/dbraw/zinc/85/39/58/361853958.db2.gz LNYRNWRSGOVMME-UHFFFAOYSA-N 0 3 212.293 0.233 20 0 BCADHN CO[C@@H]1CCCC[C@H]1NCc1cnnn1C ZINC000165506598 361841853 /nfs/dbraw/zinc/84/18/53/361841853.db2.gz MDBXNLHPHGSJIT-GHMZBOCLSA-N 0 3 224.308 0.862 20 0 BCADHN CC[C@H](CO)N(C)C[C@@H]1CN(C)C(=O)O1 ZINC000496156446 529382668 /nfs/dbraw/zinc/38/26/68/529382668.db2.gz GBVAPIZRCKGOMP-RKDXNWHRSA-N 0 3 216.281 0.140 20 0 BCADHN O=C(NC[C@H]1CNCCO1)N[C@@H]1C=CCCC1 ZINC000335606586 136236179 /nfs/dbraw/zinc/23/61/79/136236179.db2.gz LITZPQZGMWMJCR-GHMZBOCLSA-N 0 3 239.319 0.383 20 0 BCADHN Cc1cccc(CCN2C[C@@H](O)[C@H](CO)C2)n1 ZINC000399784531 342741665 /nfs/dbraw/zinc/74/16/65/342741665.db2.gz MMULNXXFBWGDFS-WCQYABFASA-N 0 3 236.315 0.218 20 0 BCADHN Cc1noc(CCNC[C@H](O)C(F)(F)F)n1 ZINC000231889360 342743491 /nfs/dbraw/zinc/74/34/91/342743491.db2.gz HVWROVPZUCRKIZ-LURJTMIESA-N 0 3 239.197 0.433 20 0 BCADHN CO[C@@H](C)CN[C@H](C)CS(C)(=O)=O ZINC000167090642 361862377 /nfs/dbraw/zinc/86/23/77/361862377.db2.gz OJBTUUFPXHAPQK-SFYZADRCSA-N 0 3 209.311 0.044 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)Nc2cn[nH]c2)C1 ZINC000167400372 361863971 /nfs/dbraw/zinc/86/39/71/361863971.db2.gz DYUFGTUIWUZNKR-APPZFPTMSA-N 0 3 208.265 0.736 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)c1ncc[nH]1 ZINC000616383624 342748523 /nfs/dbraw/zinc/74/85/23/342748523.db2.gz AFEHZMNBEPLWFA-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)Nc2nncs2)C1 ZINC000167385076 361864307 /nfs/dbraw/zinc/86/43/07/361864307.db2.gz BNCQDQFYLHWXNE-BQBZGAKWSA-N 0 3 226.305 0.865 20 0 BCADHN CN(C(=O)[C@H]1NCC1(C)C)[C@@H]1CCSC1 ZINC000381863507 398280343 /nfs/dbraw/zinc/28/03/43/398280343.db2.gz WRDGSBLRIDEEFY-RKDXNWHRSA-N 0 3 228.361 0.948 20 0 BCADHN CN(CC(=O)N1CCC[C@@H]1CO)C1CCC1 ZINC000629984004 361871859 /nfs/dbraw/zinc/87/18/59/361871859.db2.gz YJRVZBBRCQBRHI-LLVKDONJSA-N 0 3 226.320 0.454 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H](CO)C(C)C ZINC000345802733 398280598 /nfs/dbraw/zinc/28/05/98/398280598.db2.gz KMLZCQCMQWHIHN-NSHDSACASA-N 0 3 230.352 0.709 20 0 BCADHN CCn1ccnc1CNCCc1cn[nH]c1 ZINC000309613375 342753291 /nfs/dbraw/zinc/75/32/91/342753291.db2.gz CCYPIUACXYCCST-UHFFFAOYSA-N 0 3 219.292 0.958 20 0 BCADHN CCCCN(CC(N)=O)C[C@H]1CCCN1C ZINC000649488284 398283682 /nfs/dbraw/zinc/28/36/82/398283682.db2.gz ISFNJZUMIFJJPS-LLVKDONJSA-N 0 3 227.352 0.668 20 0 BCADHN Cc1[nH]ncc1[C@@H](C)NCC(F)(F)CO ZINC000184691400 538969394 /nfs/dbraw/zinc/96/93/94/538969394.db2.gz FWMUAGPCJQXGTR-ZCFIWIBFSA-N 0 3 219.235 0.996 20 0 BCADHN CN(CC(=O)N1CC[C@](F)(CO)C1)C1CCC1 ZINC000629991276 361876309 /nfs/dbraw/zinc/87/63/09/361876309.db2.gz UALDIAOFGBAXTD-GFCCVEGCSA-N 0 3 244.310 0.404 20 0 BCADHN CN(CC(=O)N1CCO[C@H]2C[C@H]21)C1CCC1 ZINC000630008683 361892889 /nfs/dbraw/zinc/89/28/89/361892889.db2.gz PUWOCMSEDUZMMW-MNOVXSKESA-N 0 3 224.304 0.470 20 0 BCADHN CSCC[C@@H](N)C(=O)Nc1cncnc1 ZINC000232089351 342778341 /nfs/dbraw/zinc/77/83/41/342778341.db2.gz HWVYOFISMTXQAE-MRVPVSSYSA-N 0 3 226.305 0.496 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cocn2)CCN1C ZINC000607688247 342771761 /nfs/dbraw/zinc/77/17/61/342771761.db2.gz WPLUTDFTHQIDII-BDAKNGLRSA-N 0 3 223.276 0.887 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ccn(C)n2)CCN1C ZINC000607688582 342771818 /nfs/dbraw/zinc/77/18/18/342771818.db2.gz MBLHFULBQTZFCU-ZJUUUORDSA-N 0 3 236.319 0.633 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2cocn2)CCN1C ZINC000607688249 342771936 /nfs/dbraw/zinc/77/19/36/342771936.db2.gz WPLUTDFTHQIDII-IUCAKERBSA-N 0 3 223.276 0.887 20 0 BCADHN CN(CC(=O)N1CCO[C@H](CF)C1)C1CCC1 ZINC000630008213 361893618 /nfs/dbraw/zinc/89/36/18/361893618.db2.gz SKSOOFHBRPMNAD-LLVKDONJSA-N 0 3 244.310 0.668 20 0 BCADHN CN(C)Cc1cccc(NCc2nnn(C)n2)c1 ZINC000634573646 342773723 /nfs/dbraw/zinc/77/37/23/342773723.db2.gz AYDBXMPTHDALAJ-UHFFFAOYSA-N 0 3 246.318 0.884 20 0 BCADHN CNC(=O)CNc1cccc(CN(C)C)c1 ZINC000634573731 342773764 /nfs/dbraw/zinc/77/37/64/342773764.db2.gz DRZPHVQCAGKRIY-UHFFFAOYSA-N 0 3 221.304 0.906 20 0 BCADHN CN1CCC[C@H](N[C@@H]2C[C@H](O)C2(C)C)C1=O ZINC000309644120 342774993 /nfs/dbraw/zinc/77/49/93/342774993.db2.gz LQLORIRCQIRHSI-AEJSXWLSSA-N 0 3 226.320 0.356 20 0 BCADHN Cc1ncc(CNC(=O)CN(C)C(C)C)o1 ZINC000622691876 342776094 /nfs/dbraw/zinc/77/60/94/342776094.db2.gz DVWDEWSYPYUJNY-UHFFFAOYSA-N 0 3 225.292 0.939 20 0 BCADHN COC(=O)CCN(CC(N)=O)C1CCCC1 ZINC000042429931 342776172 /nfs/dbraw/zinc/77/61/72/342776172.db2.gz WUXKWTDALBHAAB-UHFFFAOYSA-N 0 3 228.292 0.279 20 0 BCADHN COC[C@@H](OC)C(=O)N(C)C[C@@H]1CCCN1C ZINC000616386333 342751272 /nfs/dbraw/zinc/75/12/72/342751272.db2.gz RCNDNJPZGSYTQB-WDEREUQCSA-N 0 3 244.335 0.200 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000630043878 361910522 /nfs/dbraw/zinc/91/05/22/361910522.db2.gz VEFYRKWOXSJBOF-GWNIPJSYSA-N 0 3 243.347 0.354 20 0 BCADHN C([C@H]1CCCCO1)N1CCN2CCOC[C@@H]2C1 ZINC000348762910 136238472 /nfs/dbraw/zinc/23/84/72/136238472.db2.gz BNTPVTLUQOSSLG-QWHCGFSZSA-N 0 3 240.347 0.572 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC2(O)CCOCC2)[C@@H]1C ZINC000630046513 361910994 /nfs/dbraw/zinc/91/09/94/361910994.db2.gz MKPVIFVPRVGNCD-IJLUTSLNSA-N 0 3 243.347 0.619 20 0 BCADHN O[C@@H](CN1CC=CCC1)CC1(O)CCOCC1 ZINC000630044030 361911172 /nfs/dbraw/zinc/91/11/72/361911172.db2.gz MSCRMNIIBACLNT-GFCCVEGCSA-N 0 3 241.331 0.541 20 0 BCADHN CC[C@@H]1CCN1C[C@@H](O)CC1(O)CCOCC1 ZINC000630046989 361911823 /nfs/dbraw/zinc/91/18/23/361911823.db2.gz PCDKCZQCCIQQDP-NEPJUHHUSA-N 0 3 243.347 0.763 20 0 BCADHN COCCNCCNC(=O)N1CCC=C(C)C1 ZINC000418506462 192044795 /nfs/dbraw/zinc/04/47/95/192044795.db2.gz ILZHVTYDKPBKPO-UHFFFAOYSA-N 0 3 241.335 0.584 20 0 BCADHN O=C(CC1CCC1)NC[C@@H]1CNCCO1 ZINC000232154637 342789453 /nfs/dbraw/zinc/78/94/53/342789453.db2.gz YMQYYMSEWJZIHF-JTQLQIEISA-N 0 3 212.293 0.281 20 0 BCADHN COCCNCCNC(=O)N(C)[C@@H](C)C(C)C ZINC000418506298 192044476 /nfs/dbraw/zinc/04/44/76/192044476.db2.gz HYTXROJAHRTCKQ-NSHDSACASA-N 0 3 245.367 0.908 20 0 BCADHN COCCNCCNC(=O)N1C[C@@H](C)[C@@H]1C ZINC000418508078 192044726 /nfs/dbraw/zinc/04/47/26/192044726.db2.gz LXUCNGWYNNAKMP-ZJUUUORDSA-N 0 3 229.324 0.272 20 0 BCADHN CCN1CCCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC000336236427 342790853 /nfs/dbraw/zinc/79/08/53/342790853.db2.gz QTGRXOLAGGFXSP-CYBMUJFWSA-N 0 3 240.347 0.967 20 0 BCADHN CC1(C)CN(C(=O)[C@H]2CCCCN2)CCO1 ZINC000036232537 342793120 /nfs/dbraw/zinc/79/31/20/342793120.db2.gz GRAXRCLYKSPVGB-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000031962215 342793646 /nfs/dbraw/zinc/79/36/46/342793646.db2.gz YQEHMZAIPPFTLY-VIFPVBQESA-N 0 3 234.303 0.968 20 0 BCADHN CCC[C@]1(NCC(=O)NC2CC2)CCOC1 ZINC000309708661 342794682 /nfs/dbraw/zinc/79/46/82/342794682.db2.gz PTIFHUZYPLSDMM-LBPRGKRZSA-N 0 3 226.320 0.814 20 0 BCADHN C[C@](O)(C[C@@H](O)CN1CCC[C@@H]1CO)C1CC1 ZINC000630035373 361907695 /nfs/dbraw/zinc/90/76/95/361907695.db2.gz DFMHCLAFWQDQRH-UPJWGTAASA-N 0 3 243.347 0.355 20 0 BCADHN C[C@](O)(C[C@@H](O)CN1CCC[C@H]1CO)C1CC1 ZINC000630035374 361907763 /nfs/dbraw/zinc/90/77/63/361907763.db2.gz DFMHCLAFWQDQRH-XQQFMLRXSA-N 0 3 243.347 0.355 20 0 BCADHN C[C@@H]1CN(C[C@H](O)C[C@@](C)(O)C2CC2)C[C@@H]1O ZINC000630042138 361908933 /nfs/dbraw/zinc/90/89/33/361908933.db2.gz GZXBKPQHSLRQAV-FOUMNBMASA-N 0 3 243.347 0.211 20 0 BCADHN C([C@H]1CCCCO1)N1CCN2CCOC[C@H]2C1 ZINC000348762907 136238386 /nfs/dbraw/zinc/23/83/86/136238386.db2.gz BNTPVTLUQOSSLG-CHWSQXEVSA-N 0 3 240.347 0.572 20 0 BCADHN O=S1(=O)CCC[C@@H](N[C@@H](CO)CC2CC2)C1 ZINC000379464882 538977938 /nfs/dbraw/zinc/97/79/38/538977938.db2.gz WLPXGURAQLHVAU-GHMZBOCLSA-N 0 3 247.360 0.314 20 0 BCADHN O[C@H](CN1CC(C2CC2)C1)CC1(O)CCC1 ZINC000630047420 361915545 /nfs/dbraw/zinc/91/55/45/361915545.db2.gz BNWNIPSRNHTDGB-LBPRGKRZSA-N 0 3 225.332 0.994 20 0 BCADHN CC(C)[C@@H](C(=O)N[C@H](C)[C@@H](C)CO)N(C)C ZINC000131180682 323012669 /nfs/dbraw/zinc/01/26/69/323012669.db2.gz DTNMIDYHGGCRAN-AXFHLTTASA-N 0 3 230.352 0.706 20 0 BCADHN COCCNCCNC(=O)N1CCC[C@@H]1CF ZINC000418509881 192045447 /nfs/dbraw/zinc/04/54/47/192045447.db2.gz OURSQJPHLFSIRK-SNVBAGLBSA-N 0 3 247.314 0.366 20 0 BCADHN COCCNCCNC(=O)N1CC[C@@](C)(F)C1 ZINC000418513148 192045674 /nfs/dbraw/zinc/04/56/74/192045674.db2.gz UMGJVNLJUGOWOD-LLVKDONJSA-N 0 3 247.314 0.366 20 0 BCADHN COCCNCCNC(=O)N1CCCC[C@H]1C ZINC000418514286 192045785 /nfs/dbraw/zinc/04/57/85/192045785.db2.gz WTYQXPNTHVCMAN-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN C[C@@](O)(C[C@@H](O)CN1CCC[C@@H](O)C1)C1CC1 ZINC000630051726 361919641 /nfs/dbraw/zinc/91/96/41/361919641.db2.gz RJGAIFOPZVQPRD-JHJVBQTASA-N 0 3 243.347 0.355 20 0 BCADHN COC[C@H](O)C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000232422771 342834883 /nfs/dbraw/zinc/83/48/83/342834883.db2.gz RVFSKNWUQMKETL-SECBINFHSA-N 0 3 229.251 0.628 20 0 BCADHN Cc1cncc(NCCN2CC[C@H](O)C2)n1 ZINC000624773324 342827564 /nfs/dbraw/zinc/82/75/64/342827564.db2.gz HGOSFEXTFJHRGI-JTQLQIEISA-N 0 3 222.292 0.264 20 0 BCADHN NC(=O)CC[NH2+]Cc1ccc([O-])c(F)c1 ZINC000232421581 342835026 /nfs/dbraw/zinc/83/50/26/342835026.db2.gz CZTNRRBTOBEFJB-UHFFFAOYSA-N 0 3 212.224 0.496 20 0 BCADHN O[C@H]1CCN(CCNc2nc3ccccc3[nH]2)C1 ZINC000624775593 342829061 /nfs/dbraw/zinc/82/90/61/342829061.db2.gz RVUXXTBRWBCPCM-JTQLQIEISA-N 0 3 246.314 0.463 20 0 BCADHN C[C@H]1CN(C)C[C@H]1NC[C@@H](O)C(F)(F)F ZINC000380288645 538988541 /nfs/dbraw/zinc/98/85/41/538988541.db2.gz BALDNUSJJNPFJN-XLPZGREQSA-N 0 3 226.242 0.449 20 0 BCADHN CCCNC(=O)CN[C@H]1CN(C)C[C@H]1C ZINC000380342407 538989049 /nfs/dbraw/zinc/98/90/49/538989049.db2.gz SBGRLHRDBURKTQ-ZJUUUORDSA-N 0 3 213.325 0.052 20 0 BCADHN C[C@H](C1CC1)N(C)C(=O)CN1CCNCC1 ZINC000036786257 398291929 /nfs/dbraw/zinc/29/19/29/398291929.db2.gz JVVDJFCUIZZSSV-SNVBAGLBSA-N 0 3 225.336 0.149 20 0 BCADHN COc1ncccc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000086467388 398292104 /nfs/dbraw/zinc/29/21/04/398292104.db2.gz BHNQSWFVTLVYHB-VHSXEESVSA-N 0 3 249.314 0.913 20 0 BCADHN COC[C@@](C)(CO)NCc1ccc(C)nc1 ZINC000381489772 539002314 /nfs/dbraw/zinc/00/23/14/539002314.db2.gz WYUNATFSPGZHNK-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN COCCN(CC(=O)N(C)C)C1CCCC1 ZINC000046600320 342837403 /nfs/dbraw/zinc/83/74/03/342837403.db2.gz HNEWCINEYJHUHM-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@@H](NCc1cn[nH]c1)[C@H]1CN(C)CCO1 ZINC000381509298 539002961 /nfs/dbraw/zinc/00/29/61/539002961.db2.gz QOFKDAHUPLYTFP-MWLCHTKSSA-N 0 3 224.308 0.218 20 0 BCADHN COc1cc(CNC(=O)CN(C)C(C)C)on1 ZINC000640714451 361956369 /nfs/dbraw/zinc/95/63/69/361956369.db2.gz GHERGGSPTTZFJA-UHFFFAOYSA-N 0 3 241.291 0.640 20 0 BCADHN CC[C@@H](C(=O)NCCc1cnoc1)N(C)C ZINC000640714925 361957198 /nfs/dbraw/zinc/95/71/98/361957198.db2.gz MUCBHNSFBHDLBU-JTQLQIEISA-N 0 3 225.292 0.674 20 0 BCADHN CN(Cc1ccnc(N)c1)C[C@H](O)C1CC1 ZINC000381599464 539004651 /nfs/dbraw/zinc/00/46/51/539004651.db2.gz GOXDFKDQADIVGU-NSHDSACASA-N 0 3 221.304 0.697 20 0 BCADHN Cc1cnc(NC[C@]2(O)CCN(C)C2)nc1 ZINC000381741680 539006312 /nfs/dbraw/zinc/00/63/12/539006312.db2.gz PBIIXSBXSUYDKN-LLVKDONJSA-N 0 3 222.292 0.264 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000624941339 342838399 /nfs/dbraw/zinc/83/83/99/342838399.db2.gz PQUPGISSJWIWFN-GARJFASQSA-N 0 3 239.319 0.263 20 0 BCADHN C[C@@H](NCCCn1cncn1)c1cnn(C)c1 ZINC000381850896 539007494 /nfs/dbraw/zinc/00/74/94/539007494.db2.gz ZVDLSCKUXUYLIM-SNVBAGLBSA-N 0 3 234.307 0.753 20 0 BCADHN CCc1nn(C)cc1CNCCCn1cncn1 ZINC000381954087 539008348 /nfs/dbraw/zinc/00/83/48/539008348.db2.gz XFRHEULRLCSZMM-UHFFFAOYSA-N 0 3 248.334 0.754 20 0 BCADHN Cc1c(C(=O)N(C)CCN(C)C)ccn1C ZINC000195293609 539010542 /nfs/dbraw/zinc/01/05/42/539010542.db2.gz GCMBUTYNXADVJS-UHFFFAOYSA-N 0 3 223.320 0.967 20 0 BCADHN COC[C@](C)(CO)NCc1cccnc1C ZINC000381349401 538998516 /nfs/dbraw/zinc/99/85/16/538998516.db2.gz AQXGFCFYZGIBOR-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN CCC1CC(NC[C@H]2CS(=O)(=O)CCO2)C1 ZINC000381386371 538999928 /nfs/dbraw/zinc/99/99/28/538999928.db2.gz MWBBANKRRXPJEE-ILDUYXDCSA-N 0 3 247.360 0.578 20 0 BCADHN C[C@H](N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCCO1 ZINC000390428069 539021602 /nfs/dbraw/zinc/02/16/02/539021602.db2.gz NOAFBHJPYMCANJ-GARJFASQSA-N 0 3 247.360 0.721 20 0 BCADHN COCCN[C@H](C(=O)N1CCCC1)C(C)C ZINC000390523258 539026048 /nfs/dbraw/zinc/02/60/48/539026048.db2.gz GBEHMCKJZHFJHC-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CC1(C)CN(C[C@@H](O)CN2CCOCC2)C1 ZINC000390805158 539027609 /nfs/dbraw/zinc/02/76/09/539027609.db2.gz YVARFMGRGGBFLV-NSHDSACASA-N 0 3 228.336 0.021 20 0 BCADHN Cn1cncc1CNC[C@H]1CCCC(=O)N1 ZINC000390814228 539027611 /nfs/dbraw/zinc/02/76/11/539027611.db2.gz GGWNFFCVSACGLS-SECBINFHSA-N 0 3 222.292 0.178 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000389217515 539015716 /nfs/dbraw/zinc/01/57/16/539015716.db2.gz LEWJIGHDVZZKPC-DTWKUNHWSA-N 0 3 200.282 0.280 20 0 BCADHN C[C@@H]1C[C@H](NCc2ncnn2C)CN1C1CC1 ZINC000389302553 539015962 /nfs/dbraw/zinc/01/59/62/539015962.db2.gz IWJZWBOPERUPAA-ZJUUUORDSA-N 0 3 235.335 0.530 20 0 BCADHN CC(C)(CNCc1cn[nH]c1)OCCO ZINC000389625644 539016530 /nfs/dbraw/zinc/01/65/30/539016530.db2.gz KHBDHLSQACDABN-UHFFFAOYSA-N 0 3 213.281 0.287 20 0 BCADHN CCCCCn1cc(C[C@@H](N)COC)nn1 ZINC000640752055 361993422 /nfs/dbraw/zinc/99/34/22/361993422.db2.gz ATSYLMRJXXWGOU-SNVBAGLBSA-N 0 3 226.324 0.985 20 0 BCADHN CNC(C)(C)c1cn(Cc2ncc[nH]2)nn1 ZINC000640755116 361993543 /nfs/dbraw/zinc/99/35/43/361993543.db2.gz SNEFTAOPXLVSEO-UHFFFAOYSA-N 0 3 220.280 0.504 20 0 BCADHN CCCN(CC)C(=O)CN1CCNCC1 ZINC000037095397 398300899 /nfs/dbraw/zinc/30/08/99/398300899.db2.gz KCPFULNPMCITRW-UHFFFAOYSA-N 0 3 213.325 0.150 20 0 BCADHN COc1ncncc1CNCC1(N(C)C)CC1 ZINC000647218498 398302423 /nfs/dbraw/zinc/30/24/23/398302423.db2.gz QLXZJOTWNOVZCB-UHFFFAOYSA-N 0 3 236.319 0.669 20 0 BCADHN CC(C)N1CCN(CCc2cn(C)nn2)CC1 ZINC000625059805 342846577 /nfs/dbraw/zinc/84/65/77/342846577.db2.gz DNNZPUPDQCFEJJ-UHFFFAOYSA-N 0 3 237.351 0.384 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCN(C(=O)CN(C)C)CC1 ZINC000625081970 342850194 /nfs/dbraw/zinc/85/01/94/342850194.db2.gz VSCGNDLBOUHEJB-VXGBXAGGSA-N 0 3 239.363 0.348 20 0 BCADHN CN1C(=O)[C@H]2CN(CCCCF)CCN2C1=O ZINC000367062926 136242942 /nfs/dbraw/zinc/24/29/42/136242942.db2.gz QZUDMTVVLFUBEX-SECBINFHSA-N 0 3 243.282 0.314 20 0 BCADHN CCCN1CC[C@H](NCc2ncnn2C)C1 ZINC000389335827 398311050 /nfs/dbraw/zinc/31/10/50/398311050.db2.gz VWHDVAZQHPWAKI-JTQLQIEISA-N 0 3 223.324 0.389 20 0 BCADHN CC(C)(C)C(=O)NC[C@H]1CCCCN1CCO ZINC000331300696 398311627 /nfs/dbraw/zinc/31/16/27/398311627.db2.gz DUMAMCWEFHPPLH-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](CF)NC[C@H]1CNc2ccnn2C1 ZINC000648036687 398303759 /nfs/dbraw/zinc/30/37/59/398303759.db2.gz SNIAVJFUVHMRPB-BDAKNGLRSA-N 0 3 212.272 0.872 20 0 BCADHN CC(C)NCC(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000232667966 342868190 /nfs/dbraw/zinc/86/81/90/342868190.db2.gz ZXAYMIRZAREBEQ-UWVGGRQHSA-N 0 3 214.309 0.668 20 0 BCADHN CO[C@@H](CN[C@@H]1CCCCNC1=O)C1CC1 ZINC000382111969 398305914 /nfs/dbraw/zinc/30/59/14/398305914.db2.gz KUAJILYRDVGAQA-MNOVXSKESA-N 0 3 226.320 0.670 20 0 BCADHN COC[C@H](C)NC(=O)[C@H](N)CCSC ZINC000132563653 398307222 /nfs/dbraw/zinc/30/72/22/398307222.db2.gz PMCGFMCORPMRHS-JGVFFNPUSA-N 0 3 220.338 0.218 20 0 BCADHN C[C@@H](Cn1cccn1)NCc1cn[nH]c1 ZINC000308983750 342878891 /nfs/dbraw/zinc/87/88/91/342878891.db2.gz JADNHGJSZGSUQJ-VIFPVBQESA-N 0 3 205.265 0.785 20 0 BCADHN CN1CCC[C@@H](NC(=O)NCc2cccnc2)C1 ZINC000059877402 342874194 /nfs/dbraw/zinc/87/41/94/342874194.db2.gz ZXAMCAVXNUWHLI-GFCCVEGCSA-N 0 3 248.330 0.975 20 0 BCADHN CC(C)n1cc(CN(C)CCN(C)C)nn1 ZINC000348898618 136243682 /nfs/dbraw/zinc/24/36/82/136243682.db2.gz YKCLFCIONYBYIL-UHFFFAOYSA-N 0 3 225.340 0.852 20 0 BCADHN Cc1noc(NC(=O)N2C[C@H](C)NC[C@H]2C)n1 ZINC000333172743 398316474 /nfs/dbraw/zinc/31/64/74/398316474.db2.gz OBRHMXSLCMUIOX-NKWVEPMBSA-N 0 3 239.279 0.014 20 0 BCADHN Nc1nc(N)nc(NC[C@@H]2CCC[C@@H]2C2CC2)n1 ZINC000624275511 398317039 /nfs/dbraw/zinc/31/70/39/398317039.db2.gz WRKUJHCIFMXKIX-DTWKUNHWSA-N 0 3 248.334 0.357 20 0 BCADHN Cc1nnc(N2CCNC[C@@](C)(F)C2)nc1C ZINC000333930792 398317414 /nfs/dbraw/zinc/31/74/14/398317414.db2.gz ZLBSEXWCZFAKGD-LLVKDONJSA-N 0 3 239.298 0.626 20 0 BCADHN COC(=O)CCCN1CCC[C@H](CO)C1 ZINC000036227500 342898765 /nfs/dbraw/zinc/89/87/65/342898765.db2.gz ORIPHAKONWBILK-JTQLQIEISA-N 0 3 215.293 0.644 20 0 BCADHN CO[C@H]1C[C@H](NCc2cnnn2C)C1(C)C ZINC000227830568 398321198 /nfs/dbraw/zinc/32/11/98/398321198.db2.gz ZJUIRWHOVZRSMU-UWVGGRQHSA-N 0 3 224.308 0.718 20 0 BCADHN O[C@@H]1CCN(CCOC2CCOCC2)C1 ZINC000625138203 342887114 /nfs/dbraw/zinc/88/71/14/342887114.db2.gz NCPOOORHVSSDGX-SNVBAGLBSA-N 0 3 215.293 0.249 20 0 BCADHN CO[C@H]1C[C@@H](NCc2cnnn2C)C1(C)C ZINC000227830555 398321313 /nfs/dbraw/zinc/32/13/13/398321313.db2.gz ZJUIRWHOVZRSMU-ZJUUUORDSA-N 0 3 224.308 0.718 20 0 BCADHN C[C@H](CO)N[C@H]1CCCc2c1cnn2C ZINC000035602136 342889907 /nfs/dbraw/zinc/88/99/07/342889907.db2.gz HVFRCEZHYYMPPM-SCZZXKLOSA-N 0 3 209.293 0.768 20 0 BCADHN CN(C)C(=O)CN(C)CCCc1cncn1C ZINC000584002298 342899732 /nfs/dbraw/zinc/89/97/32/342899732.db2.gz SYNUMPRIEIPEMK-UHFFFAOYSA-N 0 3 238.335 0.373 20 0 BCADHN C[C@@H](N)C(=O)NCCCOCC1CC1 ZINC000035661377 342890985 /nfs/dbraw/zinc/89/09/85/342890985.db2.gz LWDNKGHKNFBEFJ-MRVPVSSYSA-N 0 3 200.282 0.267 20 0 BCADHN C[C@@H]1[C@H](N[C@H]2CCO[C@H]2C)CCS1(=O)=O ZINC000309117593 342892990 /nfs/dbraw/zinc/89/29/90/342892990.db2.gz MFYUAJKPMPHDOY-QCLAVDOMSA-N 0 3 233.333 0.329 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)N2CCCOCC2)C1 ZINC000167439739 136246022 /nfs/dbraw/zinc/24/60/22/136246022.db2.gz JSRRMRNIHBJEFS-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN CSC[C@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000300855692 259328099 /nfs/dbraw/zinc/32/80/99/259328099.db2.gz KEHRTIAWUZCIIM-IUCAKERBSA-N 0 3 232.349 0.090 20 0 BCADHN CC(C)N1CCN(CCCC(=O)N(C)C)CC1 ZINC000562371940 323018111 /nfs/dbraw/zinc/01/81/11/323018111.db2.gz JFIYLNIJTQDALZ-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CN[C@@H](C)C(=O)NCCCCCOC ZINC000234424078 342924831 /nfs/dbraw/zinc/92/48/31/342924831.db2.gz MMCNJNAIVMQNAN-VIFPVBQESA-N 0 3 202.298 0.527 20 0 BCADHN CC[C@@H](OC)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000356805290 342925573 /nfs/dbraw/zinc/92/55/73/342925573.db2.gz ASJQIUBWUHSWNL-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN COC(=O)CCCN1CCC(C(N)=O)CC1 ZINC000037286301 342926225 /nfs/dbraw/zinc/92/62/25/342926225.db2.gz JZXMUAFHBSCRIA-UHFFFAOYSA-N 0 3 228.292 0.137 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000037472976 398324935 /nfs/dbraw/zinc/32/49/35/398324935.db2.gz CIOTWAGKGVOFSK-WPRPVWTQSA-N 0 3 204.273 0.790 20 0 BCADHN CN(CCc1cn(C)nn1)C[C@@H](O)C1CC1 ZINC000625221287 342918427 /nfs/dbraw/zinc/91/84/27/342918427.db2.gz KPQZKBUHCZPCEA-LLVKDONJSA-N 0 3 224.308 0.060 20 0 BCADHN CCOC(=O)C[C@H](O)CN[C@@H]1CCO[C@@H]1C ZINC000233989654 342920221 /nfs/dbraw/zinc/92/02/21/342920221.db2.gz ZCDGVNAMSIGEIP-KXUCPTDWSA-N 0 3 231.292 0.068 20 0 BCADHN C[C@H](CO)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000105268221 398326203 /nfs/dbraw/zinc/32/62/03/398326203.db2.gz RAGQEVBGEHJBEX-RKDXNWHRSA-N 0 3 229.324 0.149 20 0 BCADHN COC(=O)[C@H](C)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000342546274 536630672 /nfs/dbraw/zinc/63/06/72/536630672.db2.gz NAJMUPWOZOQDGH-LPEHRKFASA-N 0 3 246.376 0.525 20 0 BCADHN NC1(C(=O)Nc2cnc3c(c2)CNCC3)CCC1 ZINC000648106693 398327269 /nfs/dbraw/zinc/32/72/69/398327269.db2.gz NJDURCZLOAEKLM-UHFFFAOYSA-N 0 3 246.314 0.547 20 0 BCADHN CCc1nn(C)cc1CN1C[C@@H](O)C[C@@H]1C ZINC000682644442 488187482 /nfs/dbraw/zinc/18/74/82/488187482.db2.gz HFOZOXZVNJZKRG-ONGXEEELSA-N 0 3 223.320 0.938 20 0 BCADHN CN(Cc1ccncc1)C(=O)[C@]1(F)CCNC1 ZINC000370814942 398327722 /nfs/dbraw/zinc/32/77/22/398327722.db2.gz RCBUIEKLSBZQKW-LBPRGKRZSA-N 0 3 237.278 0.742 20 0 BCADHN CN(C)c1ncc(CN[C@H]2C[C@@](C)(O)C2)cn1 ZINC000418106266 398328080 /nfs/dbraw/zinc/32/80/80/398328080.db2.gz BWNHQTGGKQXGHA-KLPPZKSPSA-N 0 3 236.319 0.546 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCCNC(=O)C1CC1 ZINC000115585492 398328169 /nfs/dbraw/zinc/32/81/69/398328169.db2.gz BRAMGBLNLAXIPO-SECBINFHSA-N 0 3 241.335 0.002 20 0 BCADHN COC(=O)C12CCC(CC1)N2C(=O)[C@@H](C)N ZINC000602598175 349645008 /nfs/dbraw/zinc/64/50/08/349645008.db2.gz NYCMPPIXQKCEGQ-OBEAGUGNSA-N 0 3 226.276 0.030 20 0 BCADHN COCCNCC(=O)NCC1(CCOC)CC1 ZINC000234642227 342933141 /nfs/dbraw/zinc/93/31/41/342933141.db2.gz SKOAKENZOMNTNZ-UHFFFAOYSA-N 0 3 244.335 0.155 20 0 BCADHN CC[C@H](N)C(=O)N(CC(N)=O)Cc1ccccc1 ZINC000490680570 529440617 /nfs/dbraw/zinc/44/06/17/529440617.db2.gz SSIJGISBTNESKS-NSHDSACASA-N 0 3 249.314 0.238 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@H](COCCOC)C1 ZINC000490911892 529441431 /nfs/dbraw/zinc/44/14/31/529441431.db2.gz QQEFXRQNQIZIDD-MNOVXSKESA-N 0 3 244.335 0.235 20 0 BCADHN COC(=O)c1cc(CNCCCCO)[nH]c1C ZINC000602640358 349653148 /nfs/dbraw/zinc/65/31/48/349653148.db2.gz NFGCIJPKBISDBS-UHFFFAOYSA-N 0 3 240.303 0.972 20 0 BCADHN CCN(C)C(=O)CN[C@H]1COCC1(C)C ZINC000313092945 259330883 /nfs/dbraw/zinc/33/08/83/259330883.db2.gz CDWYNFBOEHDHOG-VIFPVBQESA-N 0 3 214.309 0.479 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1cncnc1 ZINC000354768398 398329837 /nfs/dbraw/zinc/32/98/37/398329837.db2.gz WXLOIPLTZZHOKE-UHFFFAOYSA-N 0 3 234.303 0.644 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN1CC(C2CC2)C1 ZINC000642924283 398336824 /nfs/dbraw/zinc/33/68/24/398336824.db2.gz HLBVZELUONHDSC-GWCFXTLKSA-N 0 3 243.347 0.741 20 0 BCADHN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1cscn1 ZINC000647265221 398337410 /nfs/dbraw/zinc/33/74/10/398337410.db2.gz ANSHDYDQWMHFSK-ZCFIWIBFSA-N 0 3 235.334 0.016 20 0 BCADHN CN(CCC1CC1)C(=O)CN1CCNCC1 ZINC000390198540 398337821 /nfs/dbraw/zinc/33/78/21/398337821.db2.gz QCJYAKXLGMTYER-UHFFFAOYSA-N 0 3 225.336 0.150 20 0 BCADHN O=C(CN1CC[C@@]2(CCOC2)C1)NC1CC1 ZINC000153914112 398338276 /nfs/dbraw/zinc/33/82/76/398338276.db2.gz MKRCBKLHVFSOOJ-GFCCVEGCSA-N 0 3 224.304 0.377 20 0 BCADHN CN(C)CCN(C)C(=O)Cc1cncnc1 ZINC000354875995 398331146 /nfs/dbraw/zinc/33/11/46/398331146.db2.gz FRXAUSFFMLOQMJ-UHFFFAOYSA-N 0 3 222.292 0.039 20 0 BCADHN COCCC1(CNC(=O)C2(N)CCC2)CC1 ZINC000234800053 342941006 /nfs/dbraw/zinc/94/10/06/342941006.db2.gz GDVAJNWPDOHTCI-UHFFFAOYSA-N 0 3 226.320 0.801 20 0 BCADHN CN(CC1CC1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000111203413 398331983 /nfs/dbraw/zinc/33/19/83/398331983.db2.gz SKUPOSZMOLNGGH-LBPRGKRZSA-N 0 3 248.330 0.867 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@@H](C)COC ZINC000037480430 342937167 /nfs/dbraw/zinc/93/71/67/342937167.db2.gz DKBYOZCZFJGTPB-DTWKUNHWSA-N 0 3 202.298 0.655 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@@H](C)C(=O)OC ZINC000037480758 342937509 /nfs/dbraw/zinc/93/75/09/342937509.db2.gz SOWFCRLUNPURSS-JGVFFNPUSA-N 0 3 216.281 0.182 20 0 BCADHN CCCC[C@@H](N)C(=O)Nc1cnn(C)c1 ZINC000037480656 342937621 /nfs/dbraw/zinc/93/76/21/342937621.db2.gz GJKIWCHKLFANKO-SECBINFHSA-N 0 3 210.281 0.876 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCCOC ZINC000037481327 342938153 /nfs/dbraw/zinc/93/81/53/342938153.db2.gz HNLJJSBRWXJZCX-JTQLQIEISA-N 0 3 202.298 0.657 20 0 BCADHN O=C(CN1CCNCC1)NCCC1CCCC1 ZINC000037740092 398334102 /nfs/dbraw/zinc/33/41/02/398334102.db2.gz GRKBKJPYCXOIIX-UHFFFAOYSA-N 0 3 239.363 0.588 20 0 BCADHN C[C@H](N)C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000037797735 398334347 /nfs/dbraw/zinc/33/43/47/398334347.db2.gz RFMCRMQTJYWWPB-JTQLQIEISA-N 0 3 249.314 0.388 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000037820101 398334631 /nfs/dbraw/zinc/33/46/31/398334631.db2.gz CRAPQGJSLXGRJW-IUCAKERBSA-N 0 3 222.292 0.463 20 0 BCADHN CCN(C[C@@H]1CCOC1)C(=O)[C@H](C)N ZINC000037827228 398334786 /nfs/dbraw/zinc/33/47/86/398334786.db2.gz XSSXAWODMPJHKH-IUCAKERBSA-N 0 3 200.282 0.219 20 0 BCADHN O[C@@H](CNCc1cccnc1)Cn1cccn1 ZINC000037883761 398335117 /nfs/dbraw/zinc/33/51/17/398335117.db2.gz UZGQGNGGEGMRBX-LBPRGKRZSA-N 0 3 232.287 0.429 20 0 BCADHN CC[C@H]1CCCN1C(=O)CN1CCNCC1 ZINC000037914998 398335255 /nfs/dbraw/zinc/33/52/55/398335255.db2.gz MVMZUHFDNMHZJH-NSHDSACASA-N 0 3 225.336 0.293 20 0 BCADHN Cc1ncc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cn1 ZINC000351751913 136251439 /nfs/dbraw/zinc/25/14/39/136251439.db2.gz AAQKEVPNMAUTKV-AVGNSLFASA-N 0 3 233.315 0.988 20 0 BCADHN C[C@H](CO)N(C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000132718122 398341140 /nfs/dbraw/zinc/34/11/40/398341140.db2.gz MLNCCKQCCQOKMD-VHSXEESVSA-N 0 3 243.351 0.491 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-][C@H]2C[C@@H]([NH3+])C2)s1 ZINC000381398440 398343211 /nfs/dbraw/zinc/34/32/11/398343211.db2.gz PKEUWTISNRGAIS-KNVOCYPGSA-N 0 3 247.345 0.220 20 0 BCADHN C[C@H](N)C(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000037802884 342954286 /nfs/dbraw/zinc/95/42/86/342954286.db2.gz LCPBDUXUZBASGI-JTQLQIEISA-N 0 3 249.314 0.238 20 0 BCADHN O=C(C[C@@H]1CSCCN1)NCCC1CC1 ZINC000085614837 488189929 /nfs/dbraw/zinc/18/99/29/488189929.db2.gz FJTWEYKNVGFPKD-SNVBAGLBSA-N 0 3 228.361 0.998 20 0 BCADHN CC[C@@H](CO)N(C)C(=O)/C=C\CN(C)C ZINC000493238862 529497883 /nfs/dbraw/zinc/49/78/83/529497883.db2.gz XWWVFIXBPKUZNU-GFVADAIESA-N 0 3 214.309 0.334 20 0 BCADHN CO[C@@H]1CCN([C@H]2CCCN(C)C2=O)C[C@@H]1C ZINC000562545519 323024197 /nfs/dbraw/zinc/02/41/97/323024197.db2.gz DRKBHOUSDUBJKX-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@@](C)(CO)NC(=O)/C=C\CN(C)C ZINC000492541994 529500534 /nfs/dbraw/zinc/50/05/34/529500534.db2.gz XUPSQHXIWOHNQP-ZADCQDASSA-N 0 3 214.309 0.381 20 0 BCADHN CO[C@H]1CC[C@@H](NC(=O)[C@@H](N)CCSC)C1 ZINC000234828228 342954383 /nfs/dbraw/zinc/95/43/83/342954383.db2.gz VZBWWTWCHVBOBN-UTLUCORTSA-N 0 3 246.376 0.751 20 0 BCADHN C[C@H](O)CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000351768272 136253137 /nfs/dbraw/zinc/25/31/37/136253137.db2.gz WVTNXYBSIRXAHH-CMPLNLGQSA-N 0 3 240.347 0.890 20 0 BCADHN CN(CCc1ccncc1)C(=O)C(C)(C)N ZINC000019672419 342953275 /nfs/dbraw/zinc/95/32/75/342953275.db2.gz GASBIUGDERHJDW-UHFFFAOYSA-N 0 3 221.304 0.820 20 0 BCADHN CC(C)CN1CCN(C(=O)[C@@H](C)N)CC1 ZINC000037821690 342953539 /nfs/dbraw/zinc/95/35/39/342953539.db2.gz WOVFKHGWUIETAS-SNVBAGLBSA-N 0 3 213.325 0.134 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CNCCO2)C1 ZINC000234814900 342953609 /nfs/dbraw/zinc/95/36/09/342953609.db2.gz VFHMHEFQKGSKPZ-GMTAPVOTSA-N 0 3 242.319 0.049 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)[C@H](N)CCSC)C1 ZINC000234850742 342955707 /nfs/dbraw/zinc/95/57/07/342955707.db2.gz VZBWWTWCHVBOBN-OPRDCNLKSA-N 0 3 246.376 0.751 20 0 BCADHN COCCOC[C@H](O)CNCCC(F)(F)F ZINC000234891275 342957412 /nfs/dbraw/zinc/95/74/12/342957412.db2.gz FYIDXHKQWITMPK-MRVPVSSYSA-N 0 3 245.241 0.552 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H](O)C[C@H]1C ZINC000351811683 136254450 /nfs/dbraw/zinc/25/44/50/136254450.db2.gz PSMVIAMATXBBTL-KXNHARMFSA-N 0 3 240.347 0.841 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H](O)C[C@H]1C ZINC000351811684 136254644 /nfs/dbraw/zinc/25/46/44/136254644.db2.gz PSMVIAMATXBBTL-WRWGMCAJSA-N 0 3 240.347 0.841 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000037815397 342955263 /nfs/dbraw/zinc/95/52/63/342955263.db2.gz CININPICVKXOIB-LPEHRKFASA-N 0 3 212.293 0.504 20 0 BCADHN C[C@@H](F)CCN1CCN(C(=O)CN(C)C)CC1 ZINC000351845104 136256778 /nfs/dbraw/zinc/25/67/78/136256778.db2.gz QMISMLKZWVMXCP-LLVKDONJSA-N 0 3 245.342 0.440 20 0 BCADHN CCn1ccnc1/C=C/C(=O)N1CCCNCC1 ZINC000493318753 529551541 /nfs/dbraw/zinc/55/15/41/529551541.db2.gz KKPNFSLNZCJNNA-SNAWJCMRSA-N 0 3 248.330 0.738 20 0 BCADHN CC[C@@H](C(=O)N1CCCC[C@H](CO)C1)N(C)C ZINC000371278735 323026566 /nfs/dbraw/zinc/02/65/66/323026566.db2.gz CGTMJDMEJIMMRX-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN Cc1ccc(CNCCNS(C)(=O)=O)cc1 ZINC000020202915 342976771 /nfs/dbraw/zinc/97/67/71/342976771.db2.gz LJIUWGQZCICUHN-UHFFFAOYSA-N 0 3 242.344 0.634 20 0 BCADHN CCNC(=O)CN(C)CCCCOC ZINC000351845985 136257215 /nfs/dbraw/zinc/25/72/15/136257215.db2.gz XVHRQARNCUNBKM-UHFFFAOYSA-N 0 3 202.298 0.481 20 0 BCADHN CC[C@@H]1OCC[C@H]1NCC(=O)NCC1CC1 ZINC000562685368 323027546 /nfs/dbraw/zinc/02/75/46/323027546.db2.gz HLLBCLGCXBSZAH-MNOVXSKESA-N 0 3 226.320 0.670 20 0 BCADHN CCOC(=O)C[C@@H](O)CN[C@@H]1CCO[C@@H]1C ZINC000234010413 342990176 /nfs/dbraw/zinc/99/01/76/342990176.db2.gz ZCDGVNAMSIGEIP-OPRDCNLKSA-N 0 3 231.292 0.068 20 0 BCADHN CC[C@@H](NC(=O)/C=C\CN(C)C)C(=O)OC ZINC000493241800 529572387 /nfs/dbraw/zinc/57/23/87/529572387.db2.gz SFJOZVIHSWHEEV-ATJFRQLMSA-N 0 3 228.292 0.172 20 0 BCADHN COC(=O)[C@@H]1CCN(CCc2cncn2C)C1 ZINC000602765949 349721931 /nfs/dbraw/zinc/72/19/31/349721931.db2.gz NFGIGLLNWCIGNG-SNVBAGLBSA-N 0 3 237.303 0.458 20 0 BCADHN COC(=O)NCCNC[C@@H](O)c1ccccc1 ZINC000313596936 259337086 /nfs/dbraw/zinc/33/70/86/259337086.db2.gz NYQVPHHTPFDTOV-LLVKDONJSA-N 0 3 238.287 0.666 20 0 BCADHN CSCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000608791302 342979674 /nfs/dbraw/zinc/97/96/74/342979674.db2.gz WWJSHDBEQFNTEX-VIFPVBQESA-N 0 3 231.365 0.743 20 0 BCADHN COCCOC[C@@H](O)CN1CCC1(C)C ZINC000562694439 323027958 /nfs/dbraw/zinc/02/79/58/323027958.db2.gz SFJQMVPOYPTWDR-JTQLQIEISA-N 0 3 217.309 0.495 20 0 BCADHN Cc1ccc(F)c(NC(=O)[C@@H]2C[C@H](O)CN2)c1 ZINC000020471925 342986264 /nfs/dbraw/zinc/98/62/64/342986264.db2.gz YTYXIBAKKKSRTE-KWQFWETISA-N 0 3 238.262 0.795 20 0 BCADHN CS[C@@H]1CC[C@H]1N[C@@H]1COC[C@@H]1O ZINC000602726774 349715926 /nfs/dbraw/zinc/71/59/26/349715926.db2.gz ZAQAGLFXOPVXKW-LURQLKTLSA-N 0 3 203.307 0.230 20 0 BCADHN CCn1ccnc1CNC(=O)/C=C/CN(C)C ZINC000493125529 529569304 /nfs/dbraw/zinc/56/93/04/529569304.db2.gz XWLZTVOIZHXMIQ-AATRIKPKSA-N 0 3 236.319 0.637 20 0 BCADHN C[C@H](O)CNCc1ccc2c(c1)OCCO2 ZINC000020876110 342997157 /nfs/dbraw/zinc/99/71/57/342997157.db2.gz ZTZZBXSLWULHKB-VIFPVBQESA-N 0 3 223.272 0.928 20 0 BCADHN COC(=O)CC1(NCC(C)=O)CCOCC1 ZINC000602797946 349738921 /nfs/dbraw/zinc/73/89/21/349738921.db2.gz STIRNTTUCKECRJ-UHFFFAOYSA-N 0 3 229.276 0.277 20 0 BCADHN CCN(C#N)CCN1CCC[C@@H]([C@@H](C)O)C1 ZINC000602798635 349739541 /nfs/dbraw/zinc/73/95/41/349739541.db2.gz QXUPQBYPXCZELN-VXGBXAGGSA-N 0 3 225.336 0.882 20 0 BCADHN CCN(C#N)CCN1CCC[C@@H]([C@H](C)O)C1 ZINC000602798632 349740084 /nfs/dbraw/zinc/74/00/84/349740084.db2.gz QXUPQBYPXCZELN-NWDGAFQWSA-N 0 3 225.336 0.882 20 0 BCADHN COC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000335312470 536768675 /nfs/dbraw/zinc/76/86/75/536768675.db2.gz ZXALOZPYMWWKAP-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN CCN(C#N)CCN(C)CCCC(=O)NC ZINC000602803061 349742837 /nfs/dbraw/zinc/74/28/37/349742837.db2.gz YVULCDOPZSGDLQ-UHFFFAOYSA-N 0 3 226.324 0.247 20 0 BCADHN CCN(C#N)CCN1CCCC[C@H]1CC(N)=O ZINC000602771529 349725927 /nfs/dbraw/zinc/72/59/27/349725927.db2.gz DBYJYJOKLDIECH-NSHDSACASA-N 0 3 238.335 0.519 20 0 BCADHN CCN(C#N)CCN1CCC(CCO)CC1 ZINC000602774144 349727502 /nfs/dbraw/zinc/72/75/02/349727502.db2.gz BKOJYMRHNJTVII-UHFFFAOYSA-N 0 3 225.336 0.884 20 0 BCADHN N[C@H](C(=O)N[C@H]1CO[C@H](C2CC2)C1)C1CCC1 ZINC000638696248 352534691 /nfs/dbraw/zinc/53/46/91/352534691.db2.gz UKKOOOPLEFRGJE-WOPDTQHZSA-N 0 3 238.331 0.798 20 0 BCADHN CCN(C#N)CCN[C@@]1(CCOC)CCOC1 ZINC000602819805 349760551 /nfs/dbraw/zinc/76/05/51/349760551.db2.gz VOZKERCPGMPDAU-LBPRGKRZSA-N 0 3 241.335 0.575 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000067863236 349766439 /nfs/dbraw/zinc/76/64/39/349766439.db2.gz ZWDOGGFJQYIIBH-YUSALJHKSA-N 0 3 238.331 0.764 20 0 BCADHN CCN(C#N)CCN1CCC[C@@H](CC(N)=O)C1 ZINC000602784154 349748078 /nfs/dbraw/zinc/74/80/78/349748078.db2.gz QKLCRBHKZARFLM-NSHDSACASA-N 0 3 238.335 0.377 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1cccnc1 ZINC000050459373 343022072 /nfs/dbraw/zinc/02/20/72/343022072.db2.gz HUXDJLQQJYHAPU-VHSXEESVSA-N 0 3 205.261 0.088 20 0 BCADHN CCN(C#N)CCN(C)[C@@H]1CCN(C2CC2)C1 ZINC000602785118 349749793 /nfs/dbraw/zinc/74/97/93/349749793.db2.gz OXBQWMXUZZNWON-CYBMUJFWSA-N 0 3 236.363 0.958 20 0 BCADHN CCN(C#N)CCN[C@](C)(CCO)COC ZINC000602785236 349749887 /nfs/dbraw/zinc/74/98/87/349749887.db2.gz AOEOWHJTQVYKMZ-LLVKDONJSA-N 0 3 229.324 0.166 20 0 BCADHN COC(=O)[C@]1(C)CCN(CCc2cnccn2)C1 ZINC000602789723 349752337 /nfs/dbraw/zinc/75/23/37/349752337.db2.gz ZLCDMTUYPIMWRJ-CYBMUJFWSA-N 0 3 249.314 0.904 20 0 BCADHN CN(C)CCNC(=O)CC[C@H]1CCCO1 ZINC000046116521 343025555 /nfs/dbraw/zinc/02/55/55/343025555.db2.gz PVQZENNMHSXXDE-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CC(C)(C)[C@@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000162618546 349753784 /nfs/dbraw/zinc/75/37/84/349753784.db2.gz XSCJHZOKRHSWCQ-AEJSXWLSSA-N 0 3 226.320 0.750 20 0 BCADHN CCN(C#N)CCN1CC[C@@](O)(CC)C1 ZINC000602813259 349756689 /nfs/dbraw/zinc/75/66/89/349756689.db2.gz VZDYGPSUUMOUDG-NSHDSACASA-N 0 3 211.309 0.636 20 0 BCADHN CC[C@@H]1[C@H](CO)CCN1CCN(C#N)CC ZINC000602836684 349776753 /nfs/dbraw/zinc/77/67/53/349776753.db2.gz QTLPBTAUOLMJIU-NWDGAFQWSA-N 0 3 225.336 0.882 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638696812 352535054 /nfs/dbraw/zinc/53/50/54/352535054.db2.gz FBGCDCYKPVXCBZ-VDDIYKPWSA-N 0 3 241.335 0.226 20 0 BCADHN CCN(C#N)CCN1CCC[C@@H](CO)[C@H]1C ZINC000602847564 349784005 /nfs/dbraw/zinc/78/40/05/349784005.db2.gz WEYNZQKJTZSOIS-NEPJUHHUSA-N 0 3 225.336 0.882 20 0 BCADHN CNC(=O)CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000336626617 136264374 /nfs/dbraw/zinc/26/43/74/136264374.db2.gz RKOZSTCFUZPINM-NXEZZACHSA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@@H](N)C(C)C ZINC000336743468 346922728 /nfs/dbraw/zinc/92/27/28/346922728.db2.gz PFDQYFGJEZTMDE-ZJUUUORDSA-N 0 3 216.325 0.637 20 0 BCADHN O=C(Cc1ccon1)N1CCCNCC1 ZINC000082240878 343052761 /nfs/dbraw/zinc/05/27/61/343052761.db2.gz JFZKAKLNFKULJB-UHFFFAOYSA-N 0 3 209.249 0.039 20 0 BCADHN COC[C@H](C)NCc1cc(=O)n2ccccc2n1 ZINC000048694506 343053721 /nfs/dbraw/zinc/05/37/21/343053721.db2.gz BQHXKTOHENPEAN-JTQLQIEISA-N 0 3 247.298 0.819 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C2(N)CCC2)CCO1 ZINC000235661953 343054861 /nfs/dbraw/zinc/05/48/61/343054861.db2.gz OYIPSPHOKTUMSN-IUCAKERBSA-N 0 3 212.293 0.552 20 0 BCADHN C[C@H](O)CCN(C)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634645826 343057188 /nfs/dbraw/zinc/05/71/88/343057188.db2.gz TZEIAMUUDHCAMS-CYZMBNFOSA-N 0 3 245.363 0.601 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H]1COCCO1 ZINC000038060872 343057201 /nfs/dbraw/zinc/05/72/01/343057201.db2.gz IIRDAJITNPMJHD-SNVBAGLBSA-N 0 3 211.265 0.223 20 0 BCADHN CC[C@](C)(N)c1cn([C@@H]2CCOC2)nn1 ZINC000384183359 343060492 /nfs/dbraw/zinc/06/04/92/343060492.db2.gz RDDDMXXIOMYLJX-SCZZXKLOSA-N 0 3 210.281 0.823 20 0 BCADHN CC[C@H](C)CNC(=O)NCCOCCN(C)C ZINC000422182690 529663218 /nfs/dbraw/zinc/66/32/18/529663218.db2.gz NLHCKLDPMLTOTR-NSHDSACASA-N 0 3 245.367 0.910 20 0 BCADHN C[C@H](CNC(=O)c1ccc(Cl)nn1)N(C)C ZINC000038108655 343068317 /nfs/dbraw/zinc/06/83/17/343068317.db2.gz GIEGJBQWLHTMEI-SSDOTTSWSA-N 0 3 242.710 0.810 20 0 BCADHN C[C@@H](O)CCN1CCN(C)C(C)(C)C1 ZINC000082484461 362026975 /nfs/dbraw/zinc/02/69/75/362026975.db2.gz ZAFMZHCLSFYYJJ-SNVBAGLBSA-N 0 3 200.326 0.783 20 0 BCADHN CC1(C)[C@@H](O)CCN1CC(=O)NC1CC1 ZINC000308844935 346924203 /nfs/dbraw/zinc/92/42/03/346924203.db2.gz OXPQRWCOESLWKE-VIFPVBQESA-N 0 3 212.293 0.110 20 0 BCADHN CC(C)n1cc(CN2C[C@@H]3CCN(C)[C@@H]3C2)nn1 ZINC000449522424 259351411 /nfs/dbraw/zinc/35/14/11/259351411.db2.gz KTAIUQLAZPGNIR-WCQYABFASA-N 0 3 249.362 0.995 20 0 BCADHN Cc1nn(C)c(C)c1C(=O)NC[C@H](C)N(C)C ZINC000046272481 343101056 /nfs/dbraw/zinc/10/10/56/343101056.db2.gz TYCVOAKZMABVHL-QMMMGPOBSA-N 0 3 238.335 0.717 20 0 BCADHN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)C ZINC000046273598 343103099 /nfs/dbraw/zinc/10/30/99/343103099.db2.gz WBEQKOFRTWPCKL-SECBINFHSA-N 0 3 243.351 0.215 20 0 BCADHN Cc1cc(C(=O)NC[C@H](C)N(C)C)on1 ZINC000046273306 343103127 /nfs/dbraw/zinc/10/31/27/343103127.db2.gz XUCCODBWEPHYBT-QMMMGPOBSA-N 0 3 211.265 0.663 20 0 BCADHN Cc1noc(C)c1CC(=O)NC[C@H](C)N(C)C ZINC000046273609 343103165 /nfs/dbraw/zinc/10/31/65/343103165.db2.gz CDUNVLWEHVISGH-QMMMGPOBSA-N 0 3 239.319 0.900 20 0 BCADHN C[C@@H](CCNC(=O)c1cc(=O)[n-]cn1)[NH+](C)C ZINC000628061247 343105622 /nfs/dbraw/zinc/10/56/22/343105622.db2.gz GCWLITBAPHSPRN-QMMMGPOBSA-N 0 3 238.291 0.252 20 0 BCADHN CC(C)CCOCCN1CCC[C@@](O)(CO)C1 ZINC000313624939 259349902 /nfs/dbraw/zinc/34/99/02/259349902.db2.gz JXVLFCRTFGOSER-ZDUSSCGKSA-N 0 3 245.363 0.868 20 0 BCADHN C[C@H](CNC(=O)c1cccnc1)N(C)C ZINC000046275711 343108237 /nfs/dbraw/zinc/10/82/37/343108237.db2.gz XPASFEDIQQQZNR-SECBINFHSA-N 0 3 207.277 0.762 20 0 BCADHN C[C@H](C(N)=O)n1cc(CNC2CCCC2)nn1 ZINC000640810959 362055736 /nfs/dbraw/zinc/05/57/36/362055736.db2.gz PCKHVSQFJWMFME-MRVPVSSYSA-N 0 3 237.307 0.357 20 0 BCADHN CC(C)NCC(=O)NCC1CCOCC1 ZINC000082545472 362056673 /nfs/dbraw/zinc/05/66/73/362056673.db2.gz DHZSBEUDPYWRBZ-UHFFFAOYSA-N 0 3 214.309 0.527 20 0 BCADHN COC[C@@H](N)Cc1cn(CCOC(C)C)nn1 ZINC000640834606 362063047 /nfs/dbraw/zinc/06/30/47/362063047.db2.gz QUMRQBTVATYQCC-JTQLQIEISA-N 0 3 242.323 0.219 20 0 BCADHN CC[C@@H](N)c1cn(CC(=O)c2cccn2C)nn1 ZINC000640844896 362063135 /nfs/dbraw/zinc/06/31/35/362063135.db2.gz MMSNXIIEBLHLTK-SECBINFHSA-N 0 3 247.302 0.909 20 0 BCADHN C[C@@H](O)CN(Cc1ccccc1)C(=O)CN ZINC000576875111 365709766 /nfs/dbraw/zinc/70/97/66/365709766.db2.gz LMRVKMMHQAXQDG-SNVBAGLBSA-N 0 3 222.288 0.355 20 0 BCADHN CC[C@@H](C)Cn1cc(C[C@@H](N)COC)nn1 ZINC000640939843 362080011 /nfs/dbraw/zinc/08/00/11/362080011.db2.gz FSQUMZTVPOFDIM-NXEZZACHSA-N 0 3 226.324 0.840 20 0 BCADHN CC[C@@H](NC(=O)CNC1CC1)[C@H]1CCCO1 ZINC000236901679 343114598 /nfs/dbraw/zinc/11/45/98/343114598.db2.gz NXVXPXURMDTFMI-GHMZBOCLSA-N 0 3 226.320 0.812 20 0 BCADHN CCOC(=O)C1CCN(C(=O)[C@H](C)NC)CC1 ZINC000049752987 343116809 /nfs/dbraw/zinc/11/68/09/343116809.db2.gz HZHYOSLPFWYCIF-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN CN1CCN(C(=O)CC2CCCC2)[C@H](CN)C1 ZINC000120774086 343133606 /nfs/dbraw/zinc/13/36/06/343133606.db2.gz AAFBEWSCEVVRMS-GFCCVEGCSA-N 0 3 239.363 0.668 20 0 BCADHN CCOC(=O)CCN(C)CCNC(C)=O ZINC000050067475 343133879 /nfs/dbraw/zinc/13/38/79/343133879.db2.gz LOYXALQKFYTIBH-UHFFFAOYSA-N 0 3 216.281 0.008 20 0 BCADHN Cc1nnc(CN2CCN(C[C@H]3C[C@@H]3C)CC2)[nH]1 ZINC000625261056 343137249 /nfs/dbraw/zinc/13/72/49/343137249.db2.gz DFTRAZUNTVOYKU-CMPLNLGQSA-N 0 3 249.362 0.887 20 0 BCADHN C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000129430352 343177468 /nfs/dbraw/zinc/17/74/68/343177468.db2.gz BIWMCVTYHLDADW-SFYZADRCSA-N 0 3 221.260 0.724 20 0 BCADHN CNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)CNC2 ZINC000131132488 343182707 /nfs/dbraw/zinc/18/27/07/343182707.db2.gz JLHAKSGHBIZHAR-MRVPVSSYSA-N 0 3 247.298 0.154 20 0 BCADHN Cc1c([C@@H](C)NC(=O)C2(N)CCC2)cnn1C ZINC000147582104 136273592 /nfs/dbraw/zinc/27/35/92/136273592.db2.gz JLHSETSMFXQQIN-MRVPVSSYSA-N 0 3 236.319 0.787 20 0 BCADHN C[C@H]1COCCCN1CCc1cn(C)nn1 ZINC000625268424 343160332 /nfs/dbraw/zinc/16/03/32/343160332.db2.gz YKXSZVDRRAIKRI-JTQLQIEISA-N 0 3 224.308 0.468 20 0 BCADHN CN1CCN(C(=O)NC2CCCC2)[C@H](CN)C1 ZINC000122663084 343161223 /nfs/dbraw/zinc/16/12/23/343161223.db2.gz ABVDXGYAJMFIOZ-LLVKDONJSA-N 0 3 240.351 0.213 20 0 BCADHN CC[C@H](O)CCNC(=O)CNC[C@H]1CCCO1 ZINC000305150500 529691766 /nfs/dbraw/zinc/69/17/66/529691766.db2.gz ZZXLZXNDWWVWRW-WDEREUQCSA-N 0 3 244.335 0.032 20 0 BCADHN CN(CCc1cn(C)nn1)[C@H]1CCSC1 ZINC000625268897 343166700 /nfs/dbraw/zinc/16/67/00/343166700.db2.gz SZZQUAHATRQCDU-JTQLQIEISA-N 0 3 226.349 0.795 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CO[C@@H](C)C1 ZINC000576969096 365737224 /nfs/dbraw/zinc/73/72/24/365737224.db2.gz UXGWOISYVHMIEL-LPEHRKFASA-N 0 3 214.309 0.478 20 0 BCADHN C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000129429939 343177218 /nfs/dbraw/zinc/17/72/18/343177218.db2.gz BIWMCVTYHLDADW-HTQZYQBOSA-N 0 3 221.260 0.724 20 0 BCADHN Cn1cnnc1CN1CCNCc2ccccc21 ZINC000150273021 343196943 /nfs/dbraw/zinc/19/69/43/343196943.db2.gz NDOOARKMSVSAJZ-UHFFFAOYSA-N 0 3 243.314 0.925 20 0 BCADHN C[C@H]1OCC[C@@H]1NCC1(S(C)(=O)=O)CCC1 ZINC000309804885 136275020 /nfs/dbraw/zinc/27/50/20/136275020.db2.gz RWKNIYQIZHICEY-ZJUUUORDSA-N 0 3 247.360 0.721 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(C)nc2)C1 ZINC000164840725 343207597 /nfs/dbraw/zinc/20/75/97/343207597.db2.gz YWXLKFSTROBSNL-WDEREUQCSA-N 0 3 235.287 0.705 20 0 BCADHN COCCNCCNC(=O)CC[C@H](C)OC ZINC000166795829 343208528 /nfs/dbraw/zinc/20/85/28/343208528.db2.gz PDLJWWNVTWYKGK-JTQLQIEISA-N 0 3 232.324 0.154 20 0 BCADHN CCCCNC(=O)CN[C@@H]1C[C@H](O)C1(C)C ZINC000168202919 343210172 /nfs/dbraw/zinc/21/01/72/343210172.db2.gz XSEKZMPIXUVBIE-ZJUUUORDSA-N 0 3 228.336 0.652 20 0 BCADHN CC[C@H]1CN(CCc2cn(C)nn2)C[C@@H]1O ZINC000625277922 343217425 /nfs/dbraw/zinc/21/74/25/343217425.db2.gz TXBHFBLGAXFFMZ-ONGXEEELSA-N 0 3 224.308 0.060 20 0 BCADHN C[C@H]1SCCN(C(=O)C2(N)CC2)[C@H]1C ZINC000132344238 343188162 /nfs/dbraw/zinc/18/81/62/343188162.db2.gz XKCOHEGZCGUPCT-JGVFFNPUSA-N 0 3 214.334 0.830 20 0 BCADHN CCN(C)CCNc1ncnc(N)c1OC ZINC000134879608 343191862 /nfs/dbraw/zinc/19/18/62/343191862.db2.gz UPOYSPQCSPTJNM-UHFFFAOYSA-N 0 3 225.296 0.431 20 0 BCADHN O=C(CCc1cccnc1)NC[C@H]1CNCCO1 ZINC000134257046 343193869 /nfs/dbraw/zinc/19/38/69/343193869.db2.gz HOTFBERMQHJSBR-GFCCVEGCSA-N 0 3 249.314 0.119 20 0 BCADHN C[C@H]1C[C@@H](O)CN1CCOC1CCOCC1 ZINC000625272628 343194750 /nfs/dbraw/zinc/19/47/50/343194750.db2.gz GOVBLWKFZBASGV-WDEREUQCSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCC(F)(F)F ZINC000135785574 343195035 /nfs/dbraw/zinc/19/50/35/343195035.db2.gz CXAQOUHOLSYWQY-YFKPBYRVSA-N 0 3 210.199 0.805 20 0 BCADHN CNC(=O)NC(=O)CN1CC[C@@H](C)[C@H]1C ZINC000177901592 136274201 /nfs/dbraw/zinc/27/42/01/136274201.db2.gz RCOHLXBNHSNGBV-HTQZYQBOSA-N 0 3 213.281 0.172 20 0 BCADHN CCS(=O)(=O)NCCN1CC[C@@H](C)[C@@H]1C ZINC000177885493 136274314 /nfs/dbraw/zinc/27/43/14/136274314.db2.gz GBOUAUAQFJWJLE-ZJUUUORDSA-N 0 3 234.365 0.656 20 0 BCADHN C(C1CC1)N1CCN(C[C@H]2CNCCO2)CC1 ZINC000043802728 488208847 /nfs/dbraw/zinc/20/88/47/488208847.db2.gz UHWUYVFZVAGNQN-CYBMUJFWSA-N 0 3 239.363 0.002 20 0 BCADHN COCCNCc1cc(C(N)=O)cs1 ZINC000086573536 136281054 /nfs/dbraw/zinc/28/10/54/136281054.db2.gz HZTVSWHZAGNLHO-UHFFFAOYSA-N 0 3 214.290 0.583 20 0 BCADHN CCOC[C@H](O)CN(C)C[C@@H]1CCCO1 ZINC000068950505 343254383 /nfs/dbraw/zinc/25/43/83/343254383.db2.gz BITLWVBNBVFCOH-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN O=S1(=O)CCC[C@@H]1CN[C@H]1CCCOC1 ZINC000087970133 136282583 /nfs/dbraw/zinc/28/25/83/136282583.db2.gz IYLSLBKEMXGTTG-VHSXEESVSA-N 0 3 233.333 0.332 20 0 BCADHN C[C@@H](NC[C@H](O)CC1(O)CCC1)c1cn[nH]c1 ZINC000625325627 343232917 /nfs/dbraw/zinc/23/29/17/343232917.db2.gz IZILRZNGFXBKCW-MWLCHTKSSA-N 0 3 239.319 0.726 20 0 BCADHN COC(=O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC000608886396 343238721 /nfs/dbraw/zinc/23/87/21/343238721.db2.gz IXYOQVDTIUKIHW-UHFFFAOYSA-N 0 3 244.335 0.596 20 0 BCADHN CCN(C[C@@H]1CCCO1)C[C@@H]1CNCCO1 ZINC000043802679 488208544 /nfs/dbraw/zinc/20/85/44/488208544.db2.gz NEYZOPKYPVYAFT-RYUDHWBXSA-N 0 3 228.336 0.476 20 0 BCADHN C[C@@H]1CN(CCOC2CCOCC2)CC[C@@H]1O ZINC000625350793 343245559 /nfs/dbraw/zinc/24/55/59/343245559.db2.gz ZANNWZZAYDLDKR-YPMHNXCESA-N 0 3 243.347 0.885 20 0 BCADHN CCOC[C@H](O)CN1CCCN(C)CC1 ZINC000068890502 343251083 /nfs/dbraw/zinc/25/10/83/343251083.db2.gz SVQSXZCULQTVRK-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN CC(C)(C)[C@H](N)c1cn(CCn2cncn2)nn1 ZINC000641026772 362139851 /nfs/dbraw/zinc/13/98/51/362139851.db2.gz ZKJAHRCOEBBUDG-SNVBAGLBSA-N 0 3 249.322 0.616 20 0 BCADHN COC[C@@H](O)CN1CCCO[C@H](C)C1 ZINC000068891271 343251905 /nfs/dbraw/zinc/25/19/05/343251905.db2.gz GZHRKPQUAVVJNJ-ZJUUUORDSA-N 0 3 203.282 0.105 20 0 BCADHN COCCCN[C@H]1CCCS(=O)(=O)C1 ZINC000068939606 343253356 /nfs/dbraw/zinc/25/33/56/343253356.db2.gz VCQUOVCMJKIXSA-VIFPVBQESA-N 0 3 221.322 0.190 20 0 BCADHN O=S1(=O)CCC[C@H](NC[C@@H]2CCCO2)C1 ZINC000068939477 343253399 /nfs/dbraw/zinc/25/33/99/343253399.db2.gz CYLZKMLJXCMPFM-UWVGGRQHSA-N 0 3 233.333 0.332 20 0 BCADHN CCN(C)CCN[C@H]1CCCS(=O)(=O)C1 ZINC000068940380 343253413 /nfs/dbraw/zinc/25/34/13/343253413.db2.gz YWHFZCMGWSLZBD-JTQLQIEISA-N 0 3 234.365 0.105 20 0 BCADHN CC[C@H](N)c1cn(Cc2ccnc(C)n2)nn1 ZINC000641045757 362154893 /nfs/dbraw/zinc/15/48/93/362154893.db2.gz CPGIBPDHOULMAG-JTQLQIEISA-N 0 3 232.291 0.835 20 0 BCADHN Cc1nccc(Cn2cc(CCN(C)C)nn2)n1 ZINC000641047113 362156859 /nfs/dbraw/zinc/15/68/59/362156859.db2.gz QWXBXDFVSFQBPA-UHFFFAOYSA-N 0 3 246.318 0.529 20 0 BCADHN CC[C@@H](N)c1cn(Cc2cc[nH]n2)nn1 ZINC000641050101 362157837 /nfs/dbraw/zinc/15/78/37/362157837.db2.gz YFKBBSXQSPTUAS-MRVPVSSYSA-N 0 3 206.253 0.459 20 0 BCADHN CCN(CCNC(=O)[C@H](O)C1CC1)C1CC1 ZINC000668152263 488210093 /nfs/dbraw/zinc/21/00/93/488210093.db2.gz FXHIGUVGPMZIBU-LLVKDONJSA-N 0 3 226.320 0.358 20 0 BCADHN CC[C@H](N)c1cn([C@H]2CCCNC2=O)nn1 ZINC000641052173 362161000 /nfs/dbraw/zinc/16/10/00/362161000.db2.gz QPNLOYRUWIANNM-CBAPKCEASA-N 0 3 223.280 0.139 20 0 BCADHN Cn1cncc1CCNC(=O)[C@H]1CCCN1C ZINC000121345922 343266887 /nfs/dbraw/zinc/26/68/87/343266887.db2.gz YRCHNAWUVCYEJT-LLVKDONJSA-N 0 3 236.319 0.173 20 0 BCADHN CC[C@H](C(=O)NCCc1cncn1C)N(C)C ZINC000121613240 343268451 /nfs/dbraw/zinc/26/84/51/343268451.db2.gz WATSPIZMEPVYTD-LLVKDONJSA-N 0 3 238.335 0.419 20 0 BCADHN CC(C)[C@H](N)c1cn(Cc2c[nH]cn2)nn1 ZINC000641035733 362147920 /nfs/dbraw/zinc/14/79/20/362147920.db2.gz XOZMBPZIEAXGEL-JTQLQIEISA-N 0 3 220.280 0.705 20 0 BCADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000034564398 343274998 /nfs/dbraw/zinc/27/49/98/343274998.db2.gz BSPYGNIRRUZXCI-IUCAKERBSA-N 0 3 230.308 0.428 20 0 BCADHN CCOC(=O)[C@H](C)NC(=O)[C@H](N)CC(C)C ZINC000034601659 343275916 /nfs/dbraw/zinc/27/59/16/343275916.db2.gz BSPYGNIRRUZXCI-DTWKUNHWSA-N 0 3 230.308 0.428 20 0 BCADHN CC(C)(C)[C@@H](N)c1cn(Cc2c[nH]nn2)nn1 ZINC000641056762 362166196 /nfs/dbraw/zinc/16/61/96/362166196.db2.gz PVNOUXIKTSIJDO-VIFPVBQESA-N 0 3 235.295 0.490 20 0 BCADHN CCN1CCC[C@@H]1CNCc1nccn1C ZINC000036804670 343324666 /nfs/dbraw/zinc/32/46/66/343324666.db2.gz GLPWYQVRAILVIV-LLVKDONJSA-N 0 3 222.336 0.994 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@@H](O)c1ccccc1 ZINC000036873226 343325873 /nfs/dbraw/zinc/32/58/73/343325873.db2.gz HLBFYAVOMIOISU-NWDGAFQWSA-N 0 3 236.315 0.964 20 0 BCADHN COC[C@@H](O)CN1CCSC[C@H]1C ZINC000069761334 343291070 /nfs/dbraw/zinc/29/10/70/343291070.db2.gz PYBMFMLKSAHEGV-BDAKNGLRSA-N 0 3 205.323 0.431 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCO[C@@H](C)C1 ZINC000069861784 343293347 /nfs/dbraw/zinc/29/33/47/343293347.db2.gz MLEPVELJFXLECT-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN C([C@@H]1CCCOC1)N1CCN2CCOC[C@H]2C1 ZINC000348771931 136298027 /nfs/dbraw/zinc/29/80/27/136298027.db2.gz IDCRUOAGQFPZKL-QWHCGFSZSA-N 0 3 240.347 0.429 20 0 BCADHN C[C@H](O)CNCc1cc2ccccc2[nH]c1=O ZINC000035601475 343298609 /nfs/dbraw/zinc/29/86/09/343298609.db2.gz YYEQETZCIIVTAF-VIFPVBQESA-N 0 3 232.283 0.999 20 0 BCADHN C[C@@H]1CCN([C@H]2CCCNC2=O)C[C@@H]1CO ZINC000621370059 343304639 /nfs/dbraw/zinc/30/46/39/343304639.db2.gz BABGZCXUMWHXKW-MXWKQRLJSA-N 0 3 226.320 0.215 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1nc(C2CC2)c[nH]1 ZINC000584051792 343306924 /nfs/dbraw/zinc/30/69/24/343306924.db2.gz RFCZPSVBANNPPL-QMMMGPOBSA-N 0 3 224.264 0.199 20 0 BCADHN COCCN(C)C[C@@H](O)COC(C)C ZINC000070190719 343309358 /nfs/dbraw/zinc/30/93/58/343309358.db2.gz WSARNEDEIBIOKO-SNVBAGLBSA-N 0 3 205.298 0.351 20 0 BCADHN Cc1cc(CN(C)C(=O)[C@H](N)C(C)C)no1 ZINC000036200346 343312050 /nfs/dbraw/zinc/31/20/50/343312050.db2.gz FEUMSELIWPQSCE-SNVBAGLBSA-N 0 3 225.292 0.925 20 0 BCADHN C[C@H](N[C@@H]1CCN(C)C1=O)[C@@H]1CCCO1 ZINC000070583023 343333259 /nfs/dbraw/zinc/33/32/59/343333259.db2.gz FRNQYINNPBXWRJ-AEJSXWLSSA-N 0 3 212.293 0.374 20 0 BCADHN CCN1CC[C@H](N2CC[C@H](C)[C@@H](CO)C2)C1=O ZINC000621373851 343317417 /nfs/dbraw/zinc/31/74/17/343317417.db2.gz PNLBAHAMNKRPAR-TUAOUCFPSA-N 0 3 240.347 0.558 20 0 BCADHN CCN1CC[C@H](N2CC[C@H](C)[C@H](CO)C2)C1=O ZINC000621373850 343317469 /nfs/dbraw/zinc/31/74/69/343317469.db2.gz PNLBAHAMNKRPAR-SRVKXCTJSA-N 0 3 240.347 0.558 20 0 BCADHN CCN1CC[C@H](N2CC[C@@H](C)[C@@H](CO)C2)C1=O ZINC000621373852 343317610 /nfs/dbraw/zinc/31/76/10/343317610.db2.gz PNLBAHAMNKRPAR-UTUOFQBUSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@H](N)C(=O)N(C)CCOc1ccccc1 ZINC000037797954 343355800 /nfs/dbraw/zinc/35/58/00/343355800.db2.gz RUKRZEJRUWKFJA-JTQLQIEISA-N 0 3 222.288 0.871 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1cnn(C)c1 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228.292 0.452 20 0 BCADHN CCCN(CC(N)=O)C[C@H](OCC)C1CC1 ZINC000625446270 343767715 /nfs/dbraw/zinc/76/77/15/343767715.db2.gz JBZMBISVCQPNPJ-NSHDSACASA-N 0 3 228.336 0.999 20 0 BCADHN C[C@H]1CCN(CC(=O)NC(C)(C)CCO)C1 ZINC000584181928 343770395 /nfs/dbraw/zinc/77/03/95/343770395.db2.gz MLEWDUKLMHLDHZ-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN Cc1noc(CCN[C@H]2CCO[C@H]2C)n1 ZINC000089518786 343747599 /nfs/dbraw/zinc/74/75/99/343747599.db2.gz JYFAYFSYHDTVAM-CBAPKCEASA-N 0 3 211.265 0.688 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)COC ZINC000089635005 343747939 /nfs/dbraw/zinc/74/79/39/343747939.db2.gz QFYQDWLMBZUAHG-IUCAKERBSA-N 0 3 223.338 0.434 20 0 BCADHN COC[C@@](C)(CC(=O)OC)NCCSC ZINC000089913398 343748870 /nfs/dbraw/zinc/74/88/70/343748870.db2.gz IKANWZBFTVATCB-SNVBAGLBSA-N 0 3 235.349 0.907 20 0 BCADHN CC(=O)NCCN(C)CC1CCC(=O)CC1 ZINC000570394336 323058223 /nfs/dbraw/zinc/05/82/23/323058223.db2.gz AVVLDFQGTPMQEM-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN CCOC[C@@H](C)NCC(=O)NCc1ccco1 ZINC000128176898 343761545 /nfs/dbraw/zinc/76/15/45/343761545.db2.gz GLMFBNZVDXWTDL-SNVBAGLBSA-N 0 3 240.303 0.910 20 0 BCADHN CN(CC1CC(O)C1)C[C@@H]1CN(C)C(=O)O1 ZINC000496955696 529859615 /nfs/dbraw/zinc/85/96/15/529859615.db2.gz IKWHDLOMMCRZJX-UDNWOFFPSA-N 0 3 228.292 0.140 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCN2C)CO1 ZINC000570446033 323059542 /nfs/dbraw/zinc/05/95/42/323059542.db2.gz LLYCNFLTPPAGPU-GMTAPVOTSA-N 0 3 241.335 0.557 20 0 BCADHN CCOC(=O)CCCN1C[C@H]2C[C@@]2(O)C1 ZINC000603088616 349866268 /nfs/dbraw/zinc/86/62/68/349866268.db2.gz NWPHTQYSWYQHRF-MWLCHTKSSA-N 0 3 213.277 0.396 20 0 BCADHN O=C(/C=C\c1cccnc1)N1CCCNCC1 ZINC000199403838 349861361 /nfs/dbraw/zinc/86/13/61/349861361.db2.gz BFYQFHZISZWVSD-PLNGDYQASA-N 0 3 231.299 0.917 20 0 BCADHN CCCN(CCC)C(=O)NC[C@@H]1CNCCO1 ZINC000418755074 192066444 /nfs/dbraw/zinc/06/64/44/192066444.db2.gz BLRFYAXUHFPGKR-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN CCCCN(C)C(=O)NC[C@@H]1CNCCO1 ZINC000418754200 192066524 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0.415 20 0 BCADHN CN(C)C[C@]1(O)CCCN(C(=O)C2CCC2)C1 ZINC000683911779 488243653 /nfs/dbraw/zinc/24/36/53/488243653.db2.gz LIABISIAWPVANH-CYBMUJFWSA-N 0 3 240.347 0.702 20 0 BCADHN CN(CCNC(=O)/C=C/c1ncc[nH]1)C1CC1 ZINC000493673047 529912334 /nfs/dbraw/zinc/91/23/34/529912334.db2.gz KCYRJVQYMOBTSA-SNAWJCMRSA-N 0 3 234.303 0.633 20 0 BCADHN C[C@H]1[C@H](CO)CCCN1CCc1cn(C)nn1 ZINC000625470051 343873752 /nfs/dbraw/zinc/87/37/52/343873752.db2.gz CRMKGNRJWVDTIE-QWRGUYRKSA-N 0 3 238.335 0.450 20 0 BCADHN CN(CCNC(=O)OC[C@H]1CCCO1)C1CC1 ZINC000495698866 529916160 /nfs/dbraw/zinc/91/61/60/529916160.db2.gz IPILCFKARIYANE-LLVKDONJSA-N 0 3 242.319 0.986 20 0 BCADHN CC(C)(F)CNC[C@@H](O)Cn1cccn1 ZINC000634723517 343887281 /nfs/dbraw/zinc/88/72/81/343887281.db2.gz VMXWIPYLGCSFGD-SECBINFHSA-N 0 3 215.272 0.582 20 0 BCADHN CC[C@@H](CSC)NC(=O)NCCN(C)C ZINC000179975359 347006146 /nfs/dbraw/zinc/00/61/46/347006146.db2.gz YITVYAXLLMIXJQ-VIFPVBQESA-N 0 3 233.381 0.989 20 0 BCADHN CCN(Cc1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000180102912 347013853 /nfs/dbraw/zinc/01/38/53/347013853.db2.gz CMUPIQWMBAGTQO-UHFFFAOYSA-N 0 3 237.303 0.068 20 0 BCADHN COC[C@H](C)OC[C@H](O)CNCC(C)(C)F ZINC000634723648 343890624 /nfs/dbraw/zinc/89/06/24/343890624.db2.gz ZXLLTCXPNHQQGV-VHSXEESVSA-N 0 3 237.315 0.737 20 0 BCADHN CCO[C@@H](CN1CC(C)(C(N)=O)C1)C1CC1 ZINC000625507047 343898414 /nfs/dbraw/zinc/89/84/14/343898414.db2.gz QAWPVSFALSELKE-JTQLQIEISA-N 0 3 226.320 0.609 20 0 BCADHN CSCCn1cc(CCN(C)C)nn1 ZINC000603215426 349895323 /nfs/dbraw/zinc/89/53/23/349895323.db2.gz MMCIHFPPEVFMML-UHFFFAOYSA-N 0 3 214.338 0.745 20 0 BCADHN C[C@H](O)CN(C[C@@H](O)CC1(O)CCC1)C1CC1 ZINC000625519371 343916524 /nfs/dbraw/zinc/91/65/24/343916524.db2.gz VCOYJPSUXGWKPH-JQWIXIFHSA-N 0 3 243.347 0.498 20 0 BCADHN C[C@@H](O)Cn1cc(CNC2CCCC2)nn1 ZINC000641190173 362266365 /nfs/dbraw/zinc/26/63/65/362266365.db2.gz KVCOCLBSDGVXFB-SECBINFHSA-N 0 3 224.308 0.691 20 0 BCADHN CCNCc1cn(CCc2cncn2C)nn1 ZINC000641175450 362253421 /nfs/dbraw/zinc/25/34/21/362253421.db2.gz SDKVJPKEVMYFCQ-UHFFFAOYSA-N 0 3 234.307 0.364 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)N)CCO1 ZINC000235275580 343947631 /nfs/dbraw/zinc/94/76/31/343947631.db2.gz GYIIFBXVMBAPEH-SFYZADRCSA-N 0 3 200.282 0.407 20 0 BCADHN CCC[C@@H](CCO)NC[C@@H](C)S(C)(=O)=O ZINC000634723739 343920146 /nfs/dbraw/zinc/92/01/46/343920146.db2.gz BSXOCLHCAHLPFB-ZJUUUORDSA-N 0 3 237.365 0.560 20 0 BCADHN Cc1nn(C)c(N(C)C)c1CNC[C@@H](C)CO ZINC000624511476 343922945 /nfs/dbraw/zinc/92/29/45/343922945.db2.gz JPFKEYBYUFRJIP-SECBINFHSA-N 0 3 240.351 0.513 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1CCc1cn(C)nn1 ZINC000625538105 343924678 /nfs/dbraw/zinc/92/46/78/343924678.db2.gz CFVMUBWWOSSSBN-MWLCHTKSSA-N 0 3 224.308 0.203 20 0 BCADHN Cn1cc(CCN2C[C@H]3COC[C@]3(C)C2)nn1 ZINC000625538703 343925499 /nfs/dbraw/zinc/92/54/99/343925499.db2.gz NUMHLMBTNXYFEC-JQWIXIFHSA-N 0 3 236.319 0.326 20 0 BCADHN CCN(C)C[C@@H](O)CN1CCC(=O)[C@@H](C)C1 ZINC000381069087 343931545 /nfs/dbraw/zinc/93/15/45/343931545.db2.gz NQKRHHCPIGSRMA-WDEREUQCSA-N 0 3 228.336 0.210 20 0 BCADHN CN(C)CCc1cn(CC(C)(C)O)nn1 ZINC000641209737 362271073 /nfs/dbraw/zinc/27/10/73/362271073.db2.gz CIXWGUCKPCMTEW-UHFFFAOYSA-N 0 3 212.297 0.153 20 0 BCADHN NC(=O)CCN[C@@H]1CCCn2nccc21 ZINC000634730442 344046017 /nfs/dbraw/zinc/04/60/17/344046017.db2.gz GWXVJDYKGAUVQT-MRVPVSSYSA-N 0 3 208.265 0.183 20 0 BCADHN CN(C)CCc1cn(CC2(O)CCC2)nn1 ZINC000641218047 362277532 /nfs/dbraw/zinc/27/75/32/362277532.db2.gz YDRIQCGKGVKEJE-UHFFFAOYSA-N 0 3 224.308 0.297 20 0 BCADHN CC[C@H](N)c1cn(C[C@@](C)(O)C(C)=O)nn1 ZINC000641215990 362277660 /nfs/dbraw/zinc/27/76/60/362277660.db2.gz CHCSTIOZZXDTCY-WCBMZHEXSA-N 0 3 226.280 0.028 20 0 BCADHN CCC(=O)c1cn(C[C@H](O)CN(C)CC)nn1 ZINC000641222058 362282387 /nfs/dbraw/zinc/28/23/87/362282387.db2.gz JVGAFRKDVIZRCN-SECBINFHSA-N 0 3 240.307 0.183 20 0 BCADHN CCOCC[C@H](O)Cn1cc([C@@H](N)CC)nn1 ZINC000641226550 362283466 /nfs/dbraw/zinc/28/34/66/362283466.db2.gz LNCFBNYPZLWFJI-UWVGGRQHSA-N 0 3 242.323 0.475 20 0 BCADHN CCO[C@@H]1C[C@@H](NCC(N)=O)C12CCCC2 ZINC000082945554 362287663 /nfs/dbraw/zinc/28/76/63/362287663.db2.gz JQNMGWUAGHMHRH-NXEZZACHSA-N 0 3 226.320 0.799 20 0 BCADHN CCC[C@@H](CN[C@H]1CCCNC1=O)OC ZINC000395161186 362290286 /nfs/dbraw/zinc/29/02/86/362290286.db2.gz DMZDJWCLRKUBAZ-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)CC1(C)COC1 ZINC000625786748 344073988 /nfs/dbraw/zinc/07/39/88/344073988.db2.gz LCKPPISHRYLNKH-SECBINFHSA-N 0 3 214.309 0.431 20 0 BCADHN CCN1CC[C@@H](N(C)CC2(C)COC2)C1=O ZINC000625791591 344075088 /nfs/dbraw/zinc/07/50/88/344075088.db2.gz GMUXJPJBQUWBKN-SNVBAGLBSA-N 0 3 226.320 0.576 20 0 BCADHN CCC[C@H](N)c1cn(C[C@H](O)CSC)nn1 ZINC000603256709 349900963 /nfs/dbraw/zinc/90/09/63/349900963.db2.gz AILDZXPSWVLYBF-IUCAKERBSA-N 0 3 244.364 0.802 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)[C@@H](N)C(C)C)C1 ZINC000625822898 344083556 /nfs/dbraw/zinc/08/35/56/344083556.db2.gz JOXVDGXHAUKOMY-AEJSXWLSSA-N 0 3 214.309 0.511 20 0 BCADHN CSC[C@@H](O)Cn1cc(CCN(C)C)nn1 ZINC000603260656 349902024 /nfs/dbraw/zinc/90/20/24/349902024.db2.gz PQRUCFYCBJPCDV-JTQLQIEISA-N 0 3 244.364 0.106 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)N2CCCO2)CCN1C ZINC000335905873 344084331 /nfs/dbraw/zinc/08/43/31/344084331.db2.gz ALGNYRYJSFFPRZ-UWVGGRQHSA-N 0 3 227.308 0.816 20 0 BCADHN COc1nc(C(=O)NCCN(C)C2CC2)co1 ZINC000624597661 344085721 /nfs/dbraw/zinc/08/57/21/344085721.db2.gz QONABZHRISWIKY-UHFFFAOYSA-N 0 3 239.275 0.507 20 0 BCADHN CC(C)N1CCC[C@@H](N2CCC(O)CC2)C1=O ZINC000335918989 344086870 /nfs/dbraw/zinc/08/68/70/344086870.db2.gz LNPWPKHKTRKPEX-GFCCVEGCSA-N 0 3 240.347 0.843 20 0 BCADHN CN1CC(=O)N(CCN(C2CC2)C2CC2)C1=O ZINC000625842911 344093550 /nfs/dbraw/zinc/09/35/50/344093550.db2.gz WGHPPKJFQDTCAM-UHFFFAOYSA-N 0 3 237.303 0.507 20 0 BCADHN COC1CC(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000624611223 344102319 /nfs/dbraw/zinc/10/23/19/344102319.db2.gz LSJXMARIFLAKEZ-YZRBJQDESA-N 0 3 238.331 0.764 20 0 BCADHN NC(=O)c1nccnc1N[C@H]1CCN(C2CC2)C1 ZINC000641309462 362359362 /nfs/dbraw/zinc/35/93/62/362359362.db2.gz SHSHMMBUKCXBKK-QMMMGPOBSA-N 0 3 247.302 0.224 20 0 BCADHN OCCCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000080961545 344135543 /nfs/dbraw/zinc/13/55/43/344135543.db2.gz QFMRZTSSZISKIV-SNVBAGLBSA-N 0 3 209.293 0.972 20 0 BCADHN CN(CCCO)[C@H]1CCCCN(C)C1=O ZINC000634738022 344141059 /nfs/dbraw/zinc/14/10/59/344141059.db2.gz FUEFFCRVTAIHBK-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN CNC(=O)CCN(C)[C@@H]1CCCCN(C)C1=O ZINC000634738676 344146325 /nfs/dbraw/zinc/14/63/25/344146325.db2.gz WPVARJJBCGYPFK-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CC[C@@H](N)C(=O)NCc1nccn1CC(C)C ZINC000130551184 344146980 /nfs/dbraw/zinc/14/69/80/344146980.db2.gz UHBUMPGDVDTNCS-SNVBAGLBSA-N 0 3 238.335 0.893 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ncc(C)s1 ZINC000130565846 344149238 /nfs/dbraw/zinc/14/92/38/344149238.db2.gz PMUBPGKTMVNFIP-SSDOTTSWSA-N 0 3 213.306 0.805 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@@H](C)[C@H]1C ZINC000130631062 344151116 /nfs/dbraw/zinc/15/11/16/344151116.db2.gz XNZIUHDRWLGUCW-HRDYMLBCSA-N 0 3 200.282 0.360 20 0 BCADHN C/C=C/CNCc1ccc(S(N)(=O)=O)cc1 ZINC000309967082 344153706 /nfs/dbraw/zinc/15/37/06/344153706.db2.gz NXKNEOBGUCYYEJ-NSCUHMNNSA-N 0 3 240.328 1.000 20 0 BCADHN CCCN1CCN(Cc2cnnn2C)CC1 ZINC000156958103 323068067 /nfs/dbraw/zinc/06/80/67/323068067.db2.gz PXPOYYCMRIRGLP-UHFFFAOYSA-N 0 3 223.324 0.343 20 0 BCADHN C[C@H]1CCN(CCNCc2cncn2C)C1 ZINC000381220580 344209950 /nfs/dbraw/zinc/20/99/50/344209950.db2.gz IQCLXDQRBICVSK-NSHDSACASA-N 0 3 222.336 0.852 20 0 BCADHN CCCn1nccc1NC(=O)[C@H](N)CC ZINC000129289063 344212114 /nfs/dbraw/zinc/21/21/14/344212114.db2.gz NWLLBVVBYLLTES-MRVPVSSYSA-N 0 3 210.281 0.969 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)c1cnn(C)c1 ZINC000129813101 344216033 /nfs/dbraw/zinc/21/60/33/344216033.db2.gz MIZPEEGQGPUMSR-VXNVDRBHSA-N 0 3 210.281 0.335 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000129812868 344216230 /nfs/dbraw/zinc/21/62/30/344216230.db2.gz MIZPEEGQGPUMSR-IONNQARKSA-N 0 3 210.281 0.335 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](OC)C(C)(C)C ZINC000130158127 344219180 /nfs/dbraw/zinc/21/91/80/344219180.db2.gz ZNEGUBUUUYDUPC-BDAKNGLRSA-N 0 3 216.325 0.901 20 0 BCADHN CC(C)NCC(=O)NCCCO[C@@H]1CCOC1 ZINC000582133658 347036729 /nfs/dbraw/zinc/03/67/29/347036729.db2.gz GNZAUTXAFZDBCZ-LLVKDONJSA-N 0 3 244.335 0.296 20 0 BCADHN C[C@H](NCC1(O)CCC(C)CC1)C(=O)N(C)C ZINC000087062117 344227769 /nfs/dbraw/zinc/22/77/69/344227769.db2.gz DNQCQDVJOQSVNB-AKJDGMEZSA-N 0 3 242.363 0.994 20 0 BCADHN CN(CCN1CCCC1)[C@@H]1CCN(C)C1=O ZINC000161977143 133516860 /nfs/dbraw/zinc/51/68/60/133516860.db2.gz VWRDQPNJFDCTPT-LLVKDONJSA-N 0 3 225.336 0.245 20 0 BCADHN CCCCN1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000588754557 344183663 /nfs/dbraw/zinc/18/36/63/344183663.db2.gz JRAQNIOORWWGSR-SNVBAGLBSA-N 0 3 234.365 0.800 20 0 BCADHN C[C@H](CO)CN1CCC[C@H]1C(=O)N(C)C ZINC000625866727 344237592 /nfs/dbraw/zinc/23/75/92/344237592.db2.gz POCJJTDRNSXHAP-UWVGGRQHSA-N 0 3 214.309 0.167 20 0 BCADHN CC[C@H](C)NC(=O)CN1CCC[C@H](N(C)C)C1 ZINC000171944989 344187872 /nfs/dbraw/zinc/18/78/72/344187872.db2.gz MNEVGDRFCUGUDJ-RYUDHWBXSA-N 0 3 241.379 0.927 20 0 BCADHN COC[C@H](CN1CCC[C@H]1C(=O)N(C)C)OC ZINC000625866991 344238113 /nfs/dbraw/zinc/23/81/13/344238113.db2.gz QABYCSQIVMKOAX-QWRGUYRKSA-N 0 3 244.335 0.200 20 0 BCADHN CSC[C@H](C)C(=O)N[C@H](CO)CN(C)C ZINC000588864810 344195986 /nfs/dbraw/zinc/19/59/86/344195986.db2.gz SDBDBDVPWCWMCW-IUCAKERBSA-N 0 3 234.365 0.024 20 0 BCADHN CC[C@H](SC)C(=O)N[C@H](CO)CN(C)C ZINC000588865131 344196194 /nfs/dbraw/zinc/19/61/94/344196194.db2.gz TZLPEOBRXZODJP-IUCAKERBSA-N 0 3 234.365 0.167 20 0 BCADHN CS[C@@H](C)CC(=O)N[C@@H](CO)CN(C)C ZINC000588866167 344196353 /nfs/dbraw/zinc/19/63/53/344196353.db2.gz GIUSEXGXMYNQEX-DTWKUNHWSA-N 0 3 234.365 0.167 20 0 BCADHN CN[C@@H](C)C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000634750839 344201380 /nfs/dbraw/zinc/20/13/80/344201380.db2.gz GKQKBIYBSYAUGI-YUMQZZPRSA-N 0 3 236.262 0.477 20 0 BCADHN CSCCCC(=O)N[C@H](CO)CN(C)C ZINC000590370047 347034218 /nfs/dbraw/zinc/03/42/18/347034218.db2.gz RHYBIOUZVHTCLB-VIFPVBQESA-N 0 3 234.365 0.168 20 0 BCADHN O=C(C[C@@H]1CSCCN1)NCc1cc[nH]n1 ZINC000085613854 344207034 /nfs/dbraw/zinc/20/70/34/344207034.db2.gz KGSORZRFQCYFTA-SECBINFHSA-N 0 3 240.332 0.121 20 0 BCADHN c1ncc(CN[C@@H]2CCN(C3CC3)C2)cn1 ZINC000054768167 344251894 /nfs/dbraw/zinc/25/18/94/344251894.db2.gz VCSLWVYMXLLREA-LLVKDONJSA-N 0 3 218.304 0.803 20 0 BCADHN CN(C)CCSCCc1cn(C)nn1 ZINC000600527310 344257904 /nfs/dbraw/zinc/25/79/04/344257904.db2.gz DKNQAUGSZFMFEQ-UHFFFAOYSA-N 0 3 214.338 0.652 20 0 BCADHN CN(CCN1CCCC1)c1nccnc1C(N)=O ZINC000641342512 362371987 /nfs/dbraw/zinc/37/19/87/362371987.db2.gz ADTASTRNIDJBAC-UHFFFAOYSA-N 0 3 249.318 0.108 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000408222364 344260303 /nfs/dbraw/zinc/26/03/03/344260303.db2.gz ACBWTPIBASQBJU-NGZCFLSTSA-N 0 3 241.335 0.110 20 0 BCADHN CC(C)n1cncc1CNCCc1nnc[nH]1 ZINC000090209434 344267159 /nfs/dbraw/zinc/26/71/59/344267159.db2.gz AKBGBQHXBMCKLQ-UHFFFAOYSA-N 0 3 234.307 0.914 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc(CCO)cc1 ZINC000040739116 344273256 /nfs/dbraw/zinc/27/32/56/344273256.db2.gz AAROFPGRTABXGW-QMMMGPOBSA-N 0 3 208.261 0.507 20 0 BCADHN COCCN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000132087454 344274428 /nfs/dbraw/zinc/27/44/28/344274428.db2.gz JZKUEGOISDCFFP-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN CN1C[C@@H]2CN(C(=O)[C@H]3CCC(=O)C3)C[C@@H]2C1 ZINC000573494431 344281674 /nfs/dbraw/zinc/28/16/74/344281674.db2.gz RZYNWHOQASWMSU-GARJFASQSA-N 0 3 236.315 0.376 20 0 BCADHN CCCNC(=O)CN[C@H](C)[C@H](C)OC ZINC000132173792 344281752 /nfs/dbraw/zinc/28/17/52/344281752.db2.gz VGDGQEGBSAMIHA-BDAKNGLRSA-N 0 3 202.298 0.526 20 0 BCADHN CCN[C@H](C)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634773557 344291658 /nfs/dbraw/zinc/29/16/58/344291658.db2.gz IIEQLDLZPNGFAV-BBBLOLIVSA-N 0 3 212.293 0.089 20 0 BCADHN CCCNC(=O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634779484 344312103 /nfs/dbraw/zinc/31/21/03/344312103.db2.gz RVPQWGRIAPYOFZ-AOOOYVTPSA-N 0 3 212.293 0.091 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC1(CCO)CC1 ZINC000133129488 344313720 /nfs/dbraw/zinc/31/37/20/344313720.db2.gz BDFFWMWEMAUYEB-VIFPVBQESA-N 0 3 235.349 0.172 20 0 BCADHN CN(CC1CC1)C(=O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634780012 344316450 /nfs/dbraw/zinc/31/64/50/344316450.db2.gz PEJBCZFHUQNZFL-TXEJJXNPSA-N 0 3 238.331 0.433 20 0 BCADHN C[C@@H](OCC1CC1)C(=O)N[C@@H](C)CN(C)C ZINC000672516999 488258447 /nfs/dbraw/zinc/25/84/47/488258447.db2.gz YVUJZBUKEQFQGR-VHSXEESVSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634782185 344324780 /nfs/dbraw/zinc/32/47/80/344324780.db2.gz FAEIFWVENGKOBX-GARJFASQSA-N 0 3 240.347 0.868 20 0 BCADHN CCCCNC(=O)[C@@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634782120 344324820 /nfs/dbraw/zinc/32/48/20/344324820.db2.gz BZQOYQAHHNDYSB-UTUOFQBUSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)(C)NC(=O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634782308 344325378 /nfs/dbraw/zinc/32/53/78/344325378.db2.gz ISXXWNFDDAHJSB-AOOOYVTPSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@@H](CO)NC(=O)NC1CCN(C2CC2)CC1 ZINC000048541314 344326754 /nfs/dbraw/zinc/32/67/54/344326754.db2.gz LTEBRXZRRVENMR-VIFPVBQESA-N 0 3 241.335 0.293 20 0 BCADHN CN(C[C@H]1CN(C)C(=O)O1)CC(C)(C)CO ZINC000496409230 529972512 /nfs/dbraw/zinc/97/25/12/529972512.db2.gz DFXJDUQPPPNYQS-VIFPVBQESA-N 0 3 230.308 0.387 20 0 BCADHN CCCN(CC(=O)N(C)C)C[C@H]1CCOC1 ZINC000056510383 344327434 /nfs/dbraw/zinc/32/74/34/344327434.db2.gz LMXDUVHRGYAGEF-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CCN(CC)C(=O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634783594 344328217 /nfs/dbraw/zinc/32/82/17/344328217.db2.gz HAYXYCVGJDHXQC-PHIMTYICSA-N 0 3 226.320 0.433 20 0 BCADHN CC(C)NC(=O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000634784002 344328518 /nfs/dbraw/zinc/32/85/18/344328518.db2.gz YFLWRHNJRYYUCV-AOOOYVTPSA-N 0 3 212.293 0.089 20 0 BCADHN CN(C[C@H]1CNC(=O)O1)C1CCOCC1 ZINC000496540567 529972719 /nfs/dbraw/zinc/97/27/19/529972719.db2.gz UCHUETBTFQGXRO-SECBINFHSA-N 0 3 214.265 0.206 20 0 BCADHN CSCC[C@H](N)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000131851134 344353152 /nfs/dbraw/zinc/35/31/52/344353152.db2.gz CVMQUVZGLISJAB-GUBZILKMSA-N 0 3 245.392 0.276 20 0 BCADHN CC(C)[C@H](C(=O)N1C[C@@H]2COC[C@@H]2C1)N(C)C ZINC000634776111 344301086 /nfs/dbraw/zinc/30/10/86/344301086.db2.gz JHLRMNLXKDFLTK-GRYCIOLGSA-N 0 3 240.347 0.677 20 0 BCADHN C[C@@H](CCNCc1cnn(C)c1)[S@](C)=O ZINC000132600816 344305095 /nfs/dbraw/zinc/30/50/95/344305095.db2.gz BIYJJGROHXUACP-BJOHPYRUSA-N 0 3 229.349 0.667 20 0 BCADHN CCC1CCN(CCCS(N)(=O)=O)CC1 ZINC000132793430 344307481 /nfs/dbraw/zinc/30/74/81/344307481.db2.gz SXPDDNRHTWKEOZ-UHFFFAOYSA-N 0 3 234.365 0.787 20 0 BCADHN CNC(=O)CCCN(C)[C@H](C)C[S@](C)=O ZINC000569549807 344309801 /nfs/dbraw/zinc/30/98/01/344309801.db2.gz GXAJPGOQBMFCKN-PSLIRLAXSA-N 0 3 234.365 0.211 20 0 BCADHN CN1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000093177425 344310171 /nfs/dbraw/zinc/31/01/71/344310171.db2.gz ZBRWDEPDHRDWNM-UHFFFAOYSA-N 0 3 239.363 0.492 20 0 BCADHN CSC[C@H](O)CNCc1ccn(C)c1 ZINC000584286645 344420152 /nfs/dbraw/zinc/42/01/52/344420152.db2.gz AXRFEUDDSXDGLM-SNVBAGLBSA-N 0 3 214.334 0.839 20 0 BCADHN CSC[C@H](O)CNCc1n[nH]c(C2CC2)n1 ZINC000584286750 344420322 /nfs/dbraw/zinc/42/03/22/344420322.db2.gz FWJGMWQHLRBKFJ-MRVPVSSYSA-N 0 3 242.348 0.496 20 0 BCADHN CN(C)[C@H](CNC(=O)CN)c1cccs1 ZINC000040827099 344378885 /nfs/dbraw/zinc/37/88/85/344378885.db2.gz SNYXXUBTFLUGTI-MRVPVSSYSA-N 0 3 227.333 0.426 20 0 BCADHN C[C@H]1CN(CC(=O)N2CCNC2=O)C[C@@H]1C ZINC000072869601 344378919 /nfs/dbraw/zinc/37/89/19/344378919.db2.gz PCGZQDSVHMOZTG-IUCAKERBSA-N 0 3 225.292 0.126 20 0 BCADHN O=C(NC1CCN(CCO)CC1)N1CCCC1 ZINC000600817521 344379564 /nfs/dbraw/zinc/37/95/64/344379564.db2.gz NADHJWITULFNHR-UHFFFAOYSA-N 0 3 241.335 0.249 20 0 BCADHN CCOC(=O)C[C@H](O)CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000380458942 344382923 /nfs/dbraw/zinc/38/29/23/344382923.db2.gz 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CC[C@H](C(=O)N[C@H]1CCCN(C)C1)C(=O)OC ZINC000258786280 344501815 /nfs/dbraw/zinc/50/18/15/344501815.db2.gz NPPQULBVCYIHCO-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN C[C@H]1CC[C@]2(CCN(c3nc(N)nc(N)n3)C2)C1 ZINC000624094016 344512898 /nfs/dbraw/zinc/51/28/98/344512898.db2.gz SPFYANOHCFZNTQ-UFBFGSQYSA-N 0 3 248.334 0.713 20 0 BCADHN C[C@@H]1CC[C@@]2(CCN(c3nc(N)nc(N)n3)C2)C1 ZINC000624094014 344513095 /nfs/dbraw/zinc/51/30/95/344513095.db2.gz SPFYANOHCFZNTQ-PRHODGIISA-N 0 3 248.334 0.713 20 0 BCADHN COCCCN(C)CCNC(=O)CCOC ZINC000152322933 344519678 /nfs/dbraw/zinc/51/96/78/344519678.db2.gz GQQTVOVBTRZRKP-UHFFFAOYSA-N 0 3 232.324 0.107 20 0 BCADHN COCCCN(C)CCNC(=O)[C@H]1CCOC1 ZINC000152327103 344520203 /nfs/dbraw/zinc/52/02/03/344520203.db2.gz KQVHCTLLKVJJRF-NSHDSACASA-N 0 3 244.335 0.107 20 0 BCADHN CO[C@H](C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000381593374 344525198 /nfs/dbraw/zinc/52/51/98/344525198.db2.gz KNDDGOZGTOQKKQ-NXEZZACHSA-N 0 3 214.309 0.478 20 0 BCADHN CC[C@H](C(N)=O)N(C)CC1(O)CCCC1 ZINC000152389417 344533844 /nfs/dbraw/zinc/53/38/44/344533844.db2.gz BHTYSIMKUHLSMM-SECBINFHSA-N 0 3 214.309 0.487 20 0 BCADHN C[C@@H]1CC[C@H](Nc2nc(N)nc(N)n2)C[C@@H]1C ZINC000624100783 344537501 /nfs/dbraw/zinc/53/75/01/344537501.db2.gz GWRLGQTYVZTCTM-CSMHCCOUSA-N 0 3 236.323 0.355 20 0 BCADHN CCO[C@H](C)C(=O)NCCN(C)CCCOC ZINC000152420088 344554651 /nfs/dbraw/zinc/55/46/51/344554651.db2.gz KHSFRVNUYDOYQK-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000573919644 344556016 /nfs/dbraw/zinc/55/60/16/344556016.db2.gz PTPALPUDQUDDHO-WKSBVSIWSA-N 0 3 240.347 0.473 20 0 BCADHN CN(CCO)CCOCC(F)(F)F ZINC000048667933 344590595 /nfs/dbraw/zinc/59/05/95/344590595.db2.gz RTKWFUKVVBXNHR-UHFFFAOYSA-N 0 3 201.188 0.489 20 0 BCADHN C[C@H]1CCCCN1CCNc1nnnn1C ZINC000309832271 259377832 /nfs/dbraw/zinc/37/78/32/259377832.db2.gz YXESXFYTRJMOJL-VIFPVBQESA-N 0 3 224.312 0.496 20 0 BCADHN Cc1nn2cccnc2c1C(=O)NCCN(C)C ZINC000127679541 344596933 /nfs/dbraw/zinc/59/69/33/344596933.db2.gz CZSCEYDQKGSLJH-UHFFFAOYSA-N 0 3 247.302 0.329 20 0 BCADHN CC(C)CNC(=O)C(C)S(C)(=O)=O ZINC000045875428 344576583 /nfs/dbraw/zinc/57/65/83/344576583.db2.gz CARPWNURVXWZLT-ZETCQYMHSA-N 0 3 207.295 0.192 20 0 BCADHN Cc1nccc(CNC(=O)[C@]2(F)CCNC2)n1 ZINC000152486001 344579677 /nfs/dbraw/zinc/57/96/77/344579677.db2.gz YIEKTKGFLNFCOI-NSHDSACASA-N 0 3 238.266 0.103 20 0 BCADHN CC1(C)CN(CCn2cncn2)CCCO1 ZINC000370921956 344583932 /nfs/dbraw/zinc/58/39/32/344583932.db2.gz GUPDVHHVWZFFRV-UHFFFAOYSA-N 0 3 224.308 0.779 20 0 BCADHN CC(C(=O)NCC1CCC1)S(C)(=O)=O ZINC000048178463 344586653 /nfs/dbraw/zinc/58/66/53/344586653.db2.gz IWLYDLSGIMBJDH-SSDOTTSWSA-N 0 3 219.306 0.336 20 0 BCADHN CCN[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000627727456 344611294 /nfs/dbraw/zinc/61/12/94/344611294.db2.gz XSHCUJSRGKGLDI-SECBINFHSA-N 0 3 249.314 0.983 20 0 BCADHN CCCN(C)CC(=O)NC1(CC(=O)OC)CC1 ZINC000570935007 323074791 /nfs/dbraw/zinc/07/47/91/323074791.db2.gz ATRAUVGKKTZPEZ-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN COC(=O)c1cccc(CNC(=O)[C@H](C)N)c1 ZINC000152562395 344604526 /nfs/dbraw/zinc/60/45/26/344604526.db2.gz JGRVUCLWSIJZCB-QMMMGPOBSA-N 0 3 236.271 0.437 20 0 BCADHN CSCC[C@@H](N)C(=O)N(C)C[C@@H]1CCCO1 ZINC000152676827 344655918 /nfs/dbraw/zinc/65/59/18/344655918.db2.gz OBFHXTXJZJEZRV-VHSXEESVSA-N 0 3 246.376 0.704 20 0 BCADHN CN1CCC(NC(=O)c2ccc(N)nc2)CC1 ZINC000050201764 344656260 /nfs/dbraw/zinc/65/62/60/344656260.db2.gz NMXPOFDUCXONJN-UHFFFAOYSA-N 0 3 234.303 0.488 20 0 BCADHN C[C@H](CO)CN1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000625994650 344660199 /nfs/dbraw/zinc/66/01/99/344660199.db2.gz CDIMBALTLZTZEM-ONGXEEELSA-N 0 3 237.303 0.948 20 0 BCADHN CC1(C)CN(C(=O)C23CC(C2)C3)CCN1 ZINC000625979615 344644949 /nfs/dbraw/zinc/64/49/49/344644949.db2.gz FWNLSTCVQCOIIL-UHFFFAOYSA-N 0 3 208.305 0.997 20 0 BCADHN CCN(CCNC(=O)N[C@@H]1CC[C@H]1O)C1CC1 ZINC000425667175 192075442 /nfs/dbraw/zinc/07/54/42/192075442.db2.gz BKKUSFCKXDCYQO-GHMZBOCLSA-N 0 3 241.335 0.293 20 0 BCADHN NC(=O)C[C@@H]1CN(CCC2CCC2)CCO1 ZINC000626075182 344721081 /nfs/dbraw/zinc/72/10/81/344721081.db2.gz AEXBHNBNZNKEDY-LLVKDONJSA-N 0 3 226.320 0.753 20 0 BCADHN CCCN(C)CC(=O)N1CC(C)(C(=O)OC)C1 ZINC000425129647 192075464 /nfs/dbraw/zinc/07/54/64/192075464.db2.gz CSFQOHREJAADCC-UHFFFAOYSA-N 0 3 242.319 0.350 20 0 BCADHN NC(=O)C[C@H]1CN(CCC2CCC2)CCO1 ZINC000626075183 344721501 /nfs/dbraw/zinc/72/15/01/344721501.db2.gz AEXBHNBNZNKEDY-NSHDSACASA-N 0 3 226.320 0.753 20 0 BCADHN CCC(CC)CN1CCO[C@@H](CC(N)=O)C1 ZINC000626075670 344722072 /nfs/dbraw/zinc/72/20/72/344722072.db2.gz PMDVXQVAFLPSPC-NSHDSACASA-N 0 3 228.336 0.999 20 0 BCADHN NC(=O)C[C@@H]1CN(CC2CCCC2)CCO1 ZINC000626077585 344722494 /nfs/dbraw/zinc/72/24/94/344722494.db2.gz MWJHNGGZJJZFJU-LLVKDONJSA-N 0 3 226.320 0.753 20 0 BCADHN COC[C@@H](O)CN(C)C[C@@H]1CCCCO1 ZINC000050118131 344722657 /nfs/dbraw/zinc/72/26/57/344722657.db2.gz OJHGJCOTRADESB-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN CN1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000082303486 344729166 /nfs/dbraw/zinc/72/91/66/344729166.db2.gz OCDWEEBQQFPFBS-LLVKDONJSA-N 0 3 225.336 0.245 20 0 BCADHN CN1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000082303484 344729309 /nfs/dbraw/zinc/72/93/09/344729309.db2.gz OCDWEEBQQFPFBS-NSHDSACASA-N 0 3 225.336 0.245 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H](CO)Cc1ccco1 ZINC000570942156 323076200 /nfs/dbraw/zinc/07/62/00/323076200.db2.gz TVGUBURVMINCHW-VHSXEESVSA-N 0 3 240.303 0.155 20 0 BCADHN CN1CCC[C@@H](CNC(=O)N2CC(F)C2)C1 ZINC000583347135 344737897 /nfs/dbraw/zinc/73/78/97/344737897.db2.gz YLQJFDOJTZXHHZ-VIFPVBQESA-N 0 3 229.299 0.692 20 0 BCADHN CNS(=O)(=O)CCN1C[C@@H]2CCCC[C@@]21C ZINC000626103240 344740113 /nfs/dbraw/zinc/74/01/13/344740113.db2.gz RGPRHTVJFMQIIW-QWRGUYRKSA-N 0 3 246.376 0.800 20 0 BCADHN CNS(=O)(=O)C[C@@H]1CCCN1C[C@H]1C[C@@H]1C ZINC000488353099 530019506 /nfs/dbraw/zinc/01/95/06/530019506.db2.gz OXXXJOZPKYRUKD-AXFHLTTASA-N 0 3 246.376 0.656 20 0 BCADHN CN(C[C@H]1C[C@@H](O)C1)[C@H]1CCCN(C)C1=O ZINC000626045859 344695393 /nfs/dbraw/zinc/69/53/93/344695393.db2.gz FFFRPLIRVMIZEN-AXFHLTTASA-N 0 3 226.320 0.310 20 0 BCADHN CN(C[C@@H](O)C(F)(F)F)C[C@H]1C[C@@H](O)C1 ZINC000626046426 344696915 /nfs/dbraw/zinc/69/69/15/344696915.db2.gz CEVINFYRVPCTDV-GJMOJQLCSA-N 0 3 227.226 0.612 20 0 BCADHN CN1C(=O)C[C@H](NCC2(O)CCCCC2)C1=O ZINC000115263112 344706095 /nfs/dbraw/zinc/70/60/95/344706095.db2.gz TWKUMBNMJVXMJL-VIFPVBQESA-N 0 3 240.303 0.029 20 0 BCADHN CCNC(=O)CCN1CCN(CCCF)CC1 ZINC000626072210 344716463 /nfs/dbraw/zinc/71/64/63/344716463.db2.gz LWBLQVTWRZHVPP-UHFFFAOYSA-N 0 3 245.342 0.490 20 0 BCADHN CC[C@H]1C[C@@H](C)CN1CCNS(C)(=O)=O ZINC000075021965 344761974 /nfs/dbraw/zinc/76/19/74/344761974.db2.gz REIJKAHAUAMFQO-ZJUUUORDSA-N 0 3 234.365 0.656 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1CCNS(C)(=O)=O ZINC000075021964 344762094 /nfs/dbraw/zinc/76/20/94/344762094.db2.gz REIJKAHAUAMFQO-NXEZZACHSA-N 0 3 234.365 0.656 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1CC(=O)NC(=O)NC ZINC000075023062 344763047 /nfs/dbraw/zinc/76/30/47/344763047.db2.gz FKFNCKMKULBPKH-RKDXNWHRSA-N 0 3 227.308 0.562 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCSC1 ZINC000075179765 344767971 /nfs/dbraw/zinc/76/79/71/344767971.db2.gz MVEOLCKRKBVKTN-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN CN1CCC(CC(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000487578223 530048589 /nfs/dbraw/zinc/04/85/89/530048589.db2.gz SLPAJUCGUIWJDO-PJXYFTJBSA-N 0 3 238.331 0.479 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)OC[C@@H]1CCCO1 ZINC000495830414 530057505 /nfs/dbraw/zinc/05/75/05/530057505.db2.gz DNWKJAZYGUJMAG-MNOVXSKESA-N 0 3 242.319 0.986 20 0 BCADHN CC[C@H](CO)N1CCN(CCCCCO)CC1 ZINC000075958477 344788902 /nfs/dbraw/zinc/78/89/02/344788902.db2.gz YTFKTAGAICWYGJ-CYBMUJFWSA-N 0 3 244.379 0.538 20 0 BCADHN CC[C@H](CO)N1CCN(C(C)C)CC1 ZINC000075959932 344788926 /nfs/dbraw/zinc/78/89/26/344788926.db2.gz SLDYWJMHJLLBQZ-LLVKDONJSA-N 0 3 200.326 0.783 20 0 BCADHN CC[C@@H](CO)N1CCN(CCCCCO)CC1 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C[C@H](C(=O)NC[C@@H]1CCCN1C)N1CC(C)C1 ZINC000518792853 323085584 /nfs/dbraw/zinc/08/55/84/323085584.db2.gz VGLHKQMMVBUDMC-NEPJUHHUSA-N 0 3 239.363 0.537 20 0 BCADHN CNCC(=O)N1CCS[C@H](C)[C@H]1C ZINC000158352823 345323020 /nfs/dbraw/zinc/32/30/20/345323020.db2.gz BECADPKXUXSVSE-HTQZYQBOSA-N 0 3 202.323 0.558 20 0 BCADHN CC[C@H]1CCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000158495045 345340515 /nfs/dbraw/zinc/34/05/15/345340515.db2.gz LOBPHYSVGHBFRO-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN CCn1ncnc1CN[C@@H](C)[C@@H]1CCOC1 ZINC000158519660 345342761 /nfs/dbraw/zinc/34/27/61/345342761.db2.gz ZPFKLWYCFBPHIO-VHSXEESVSA-N 0 3 224.308 0.813 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCc1ncc[nH]1 ZINC000158540528 345347087 /nfs/dbraw/zinc/34/70/87/345347087.db2.gz VQWQRGFATXPSED-VIFPVBQESA-N 0 3 224.308 0.442 20 0 BCADHN C(Cc1nnn[n-]1)SCC[NH+]1CCCCC1 ZINC000603336543 349926963 /nfs/dbraw/zinc/92/69/63/349926963.db2.gz DTHHNZPWNHJPHH-UHFFFAOYSA-N 0 3 241.364 0.961 20 0 BCADHN C(Cc1nn[n-]n1)SCC[NH+]1CCCCC1 ZINC000603336543 349926967 /nfs/dbraw/zinc/92/69/67/349926967.db2.gz DTHHNZPWNHJPHH-UHFFFAOYSA-N 0 3 241.364 0.961 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)C[C@H]1CSCCN1 ZINC000158721756 345368085 /nfs/dbraw/zinc/36/80/85/345368085.db2.gz AZUGRALUHNFNMV-ZJUUUORDSA-N 0 3 246.376 0.311 20 0 BCADHN c1cnc(N2CCC(NC3COC3)CC2)nc1 ZINC000158709788 345368633 /nfs/dbraw/zinc/36/86/33/345368633.db2.gz NWTYKZSJZVBBKH-UHFFFAOYSA-N 0 3 234.303 0.434 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)CN(C)C)CN1C1CC1 ZINC000133655409 345382405 /nfs/dbraw/zinc/38/24/05/345382405.db2.gz UFIICKUXOMUXEI-NXEZZACHSA-N 0 3 225.336 0.289 20 0 BCADHN CCOCCCN1CCCC[C@@H]1C(N)=O ZINC000158402488 345330054 /nfs/dbraw/zinc/33/00/54/345330054.db2.gz YDLRTTSZZDKDSZ-SNVBAGLBSA-N 0 3 214.309 0.753 20 0 BCADHN C[C@H](C(=O)N[C@H]1CCCN(C)C1)N(C)C ZINC000635508655 345404329 /nfs/dbraw/zinc/40/43/29/345404329.db2.gz XDYOVHVWKUALPO-ZJUUUORDSA-N 0 3 213.325 0.147 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCC[C@H](O)C(C)C ZINC000159134033 345409333 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XHZFVHYWFYUFSK-LLVKDONJSA-N 0 3 219.288 0.884 20 0 BCADHN COC(=O)CCNC(=O)[C@@]1(C)CCCCN1 ZINC000159569016 345443689 /nfs/dbraw/zinc/44/36/89/345443689.db2.gz TVHBFBNDSJXKLB-LLVKDONJSA-N 0 3 228.292 0.198 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)[C@]1(C)CCCCN1 ZINC000159568631 345443936 /nfs/dbraw/zinc/44/39/36/345443936.db2.gz HQEATMIUQPABOM-KCJUWKMLSA-N 0 3 228.292 0.196 20 0 BCADHN CN1CC[C@H](CC(=O)Nc2c[nH]ccc2=O)C1 ZINC000635481742 345391423 /nfs/dbraw/zinc/39/14/23/345391423.db2.gz ZTMSBJDNSLHDKW-SECBINFHSA-N 0 3 235.287 0.655 20 0 BCADHN CN1CCC[C@@H](CNC(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000635539434 345510868 /nfs/dbraw/zinc/51/08/68/345510868.db2.gz CVYKWLGMTBZOQM-GARJFASQSA-N 0 3 226.320 0.215 20 0 BCADHN Cc1cc(C(=O)N2CCCNCC2)nn1C ZINC000082239518 345496681 /nfs/dbraw/zinc/49/66/81/345496681.db2.gz BIZIQRTVXZYEAK-UHFFFAOYSA-N 0 3 222.292 0.164 20 0 BCADHN Cc1cc(C(=O)N2CCCNCC2)ncn1 ZINC000082240751 345496879 /nfs/dbraw/zinc/49/68/79/345496879.db2.gz JLTMHEJTNRMMJZ-UHFFFAOYSA-N 0 3 220.276 0.221 20 0 BCADHN CN(C)CCNC(=O)Cn1cnc2ccccc21 ZINC000082262342 345499106 /nfs/dbraw/zinc/49/91/06/345499106.db2.gz BAEUUUPDGWBJLB-UHFFFAOYSA-N 0 3 246.314 0.714 20 0 BCADHN COC[C@@H](C)N[C@H](C)C(=O)NCC(F)(F)F ZINC000135786226 345456950 /nfs/dbraw/zinc/45/69/50/345456950.db2.gz GPPCKINMDRYVDT-RNFRBKRXSA-N 0 3 242.241 0.678 20 0 BCADHN CCO[N-]C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000081127925 345463186 /nfs/dbraw/zinc/46/31/86/345463186.db2.gz OHAXAEGLDIAWGA-ZJUUUORDSA-N 0 3 212.293 0.929 20 0 BCADHN CCO[N-]C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081127925 345463188 /nfs/dbraw/zinc/46/31/88/345463188.db2.gz OHAXAEGLDIAWGA-ZJUUUORDSA-N 0 3 212.293 0.929 20 0 BCADHN CN(C)CCN(C)C(=O)NCc1ccn(C)c1 ZINC000081508808 345481485 /nfs/dbraw/zinc/48/14/85/345481485.db2.gz NFWDHMBZHQXCEM-UHFFFAOYSA-N 0 3 238.335 0.728 20 0 BCADHN CCOCCNC(=O)CN(C)C1CCOCC1 ZINC000084696421 345520342 /nfs/dbraw/zinc/52/03/42/345520342.db2.gz PQIBHHIBLXDNAK-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN CCOCCNC(=O)CN(C)CC(C)C ZINC000084692055 345520624 /nfs/dbraw/zinc/52/06/24/345520624.db2.gz JSXUWMXDQZGMRL-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN C=Cn1cc(CN[C@@H](C)C[S@@](C)=O)cn1 ZINC000194355632 192089182 /nfs/dbraw/zinc/08/91/82/192089182.db2.gz CZWVDRURIJPHIH-BJOHPYRUSA-N 0 3 227.333 0.840 20 0 BCADHN CN(C)CCNc1ncnc2nc(N)ccc21 ZINC000090998118 345578353 /nfs/dbraw/zinc/57/83/53/345578353.db2.gz QDGITISGPJJQKY-UHFFFAOYSA-N 0 3 232.291 0.581 20 0 BCADHN C([C@@H]1CCOC1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089153307 345549052 /nfs/dbraw/zinc/54/90/52/345549052.db2.gz AUFVTGPTNJRCLK-AVGNSLFASA-N 0 3 241.331 0.903 20 0 BCADHN C([C@@H]1CCOC1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089153309 345549149 /nfs/dbraw/zinc/54/91/49/345549149.db2.gz AUFVTGPTNJRCLK-RWMBFGLXSA-N 0 3 241.331 0.903 20 0 BCADHN Cc1nccn1-c1cncc(NCCN(C)C)n1 ZINC000090998401 345579328 /nfs/dbraw/zinc/57/93/28/345579328.db2.gz AKICMVIABWAFJF-UHFFFAOYSA-N 0 3 246.318 0.944 20 0 BCADHN CCC[C@H](C(=O)N1CC[C@@H](C)[C@H](O)C1)N(C)C ZINC000089401521 345554620 /nfs/dbraw/zinc/55/46/20/345554620.db2.gz RLKVFBXEQGGLRV-IJLUTSLNSA-N 0 3 242.363 0.946 20 0 BCADHN COCCOCCN1CCC[C@H]([C@@H](C)O)C1 ZINC000089930771 345566609 /nfs/dbraw/zinc/56/66/09/345566609.db2.gz VXIXDKGMEYBMBC-NEPJUHHUSA-N 0 3 231.336 0.742 20 0 BCADHN C[C@@H]1C[C@H](CO)CCN1C[C@@H]1CCC(=O)N1 ZINC000626121699 345518481 /nfs/dbraw/zinc/51/84/81/345518481.db2.gz QSFCUDFHQDASQU-MXWKQRLJSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@H](CN1CCOCC1)N1CCC(O)CC1 ZINC000091507945 345595766 /nfs/dbraw/zinc/59/57/66/345595766.db2.gz YKLGBANWQGRDFQ-NSHDSACASA-N 0 3 228.336 0.164 20 0 BCADHN C[C@H](O)CCN(C)[C@@H](C)CN1CCOCC1 ZINC000091512423 345596459 /nfs/dbraw/zinc/59/64/59/345596459.db2.gz GDFIJVCEESMPIU-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN C[C@H](C(=O)N(C)[C@H]1CN2CCC1CC2)N(C)C ZINC000635549195 345601815 /nfs/dbraw/zinc/60/18/15/345601815.db2.gz DOHJSAQVZNWVIT-PWSUYJOCSA-N 0 3 239.363 0.489 20 0 BCADHN COC(=O)[C@@H]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000600980315 345637030 /nfs/dbraw/zinc/63/70/30/345637030.db2.gz UWTQPQXVVIDUAD-PSASIEDQSA-N 0 3 238.291 0.641 20 0 BCADHN OC[C@H]1CCCN1CCOCC(F)F ZINC000188909165 259383541 /nfs/dbraw/zinc/38/35/41/259383541.db2.gz LYJZEJIIUGYLSS-MRVPVSSYSA-N 0 3 209.236 0.725 20 0 BCADHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cnnn1C ZINC000091892337 345612335 /nfs/dbraw/zinc/61/23/35/345612335.db2.gz HPJPKEZSIOJFAT-NEPJUHHUSA-N 0 3 249.362 0.874 20 0 BCADHN CN1CCC[C@@H](CNc2cncc(C(N)=O)n2)C1 ZINC000092652189 345633022 /nfs/dbraw/zinc/63/30/22/345633022.db2.gz KSENTICHRUHINX-VIFPVBQESA-N 0 3 249.318 0.329 20 0 BCADHN COC(=O)[C@H](C)n1cc([C@H](N)C(C)C)nn1 ZINC000600976487 345582107 /nfs/dbraw/zinc/58/21/07/345582107.db2.gz PXNSDFWNEVRYSA-IONNQARKSA-N 0 3 226.280 0.668 20 0 BCADHN COC(=O)[C@@H](C)n1cc([C@@H](N)C(C)C)nn1 ZINC000600976485 345582369 /nfs/dbraw/zinc/58/23/69/345582369.db2.gz PXNSDFWNEVRYSA-APPZFPTMSA-N 0 3 226.280 0.668 20 0 BCADHN CCC[C@H](NC(=O)CN(CC)CC)C(=O)OC ZINC000091143610 345582719 /nfs/dbraw/zinc/58/27/19/345582719.db2.gz ANZXNKSZJFAKAM-JTQLQIEISA-N 0 3 244.335 0.786 20 0 BCADHN C[C@H](CNC(=O)C(N)=O)N(C)Cc1ccccc1 ZINC000635547871 345583457 /nfs/dbraw/zinc/58/34/57/345583457.db2.gz JPHJUCUCNIWXCV-SNVBAGLBSA-N 0 3 249.314 0.108 20 0 BCADHN c1cnc(NC[C@@H]2CSCCN2)nc1 ZINC000641688337 362608750 /nfs/dbraw/zinc/60/87/50/362608750.db2.gz YPQWOZYBACDMGK-MRVPVSSYSA-N 0 3 210.306 0.594 20 0 BCADHN O[C@H](CN1CC[C@@H]2CC[C@@H](O)[C@@H]21)C(F)(F)F ZINC000626140150 345645005 /nfs/dbraw/zinc/64/50/05/345645005.db2.gz PTISKMIBPJWJLI-JQCXWYLXSA-N 0 3 239.237 0.755 20 0 BCADHN C[C@@H]1CCN(CCN2CCCC2=O)C[C@@H]1O ZINC000093334402 345652817 /nfs/dbraw/zinc/65/28/17/345652817.db2.gz CJCJJRVDUJSVKL-MNOVXSKESA-N 0 3 226.320 0.312 20 0 BCADHN CN1C[C@@H](NCc2ccncc2N)CCC1=O ZINC000641726524 362642246 /nfs/dbraw/zinc/64/22/46/362642246.db2.gz PAWFPKJRVXNBKD-JTQLQIEISA-N 0 3 234.303 0.374 20 0 BCADHN CCCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673514267 488292343 /nfs/dbraw/zinc/29/23/43/488292343.db2.gz IOXJCAJNDMKNDA-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)c(C)o1 ZINC000673521528 488292529 /nfs/dbraw/zinc/29/25/29/488292529.db2.gz CLSKAERDHMTZDN-SNVBAGLBSA-N 0 3 240.303 0.549 20 0 BCADHN Cc1nscc1C(=O)N[C@@H](CO)CN(C)C ZINC000673520932 488292814 /nfs/dbraw/zinc/29/28/14/488292814.db2.gz MIJCKHDDXIQFNI-MRVPVSSYSA-N 0 3 243.332 0.104 20 0 BCADHN CN(C)CCNC(=O)c1ccc(NC2CC2)nc1 ZINC000096672969 345687944 /nfs/dbraw/zinc/68/79/44/345687944.db2.gz NDJZTVICIAQPHL-UHFFFAOYSA-N 0 3 248.330 0.947 20 0 BCADHN CC[C@](C)(O)CNCc1ccncc1N ZINC000641719175 362634273 /nfs/dbraw/zinc/63/42/73/362634273.db2.gz GZFKVJRNDRKJHI-NSHDSACASA-N 0 3 209.293 0.914 20 0 BCADHN Nc1cnccc1CNCC1(O)CCC1 ZINC000641720605 362636705 /nfs/dbraw/zinc/63/67/05/362636705.db2.gz MJBCTNRBRSPSIQ-UHFFFAOYSA-N 0 3 207.277 0.668 20 0 BCADHN C[C@](O)(CNCc1ccncc1N)C1CC1 ZINC000641720480 362636990 /nfs/dbraw/zinc/63/69/90/362636990.db2.gz VTAQUWLZQQPPDE-LBPRGKRZSA-N 0 3 221.304 0.914 20 0 BCADHN CC[C@@H](CCO)NCc1ccncc1N ZINC000641725584 362641678 /nfs/dbraw/zinc/64/16/78/362641678.db2.gz JSMKQXYVGKEVJU-JTQLQIEISA-N 0 3 209.293 0.914 20 0 BCADHN Cc1ncsc1C(=O)N[C@H](CO)CN(C)C ZINC000673521938 488293365 /nfs/dbraw/zinc/29/33/65/488293365.db2.gz OAMULZGZBSQRTL-QMMMGPOBSA-N 0 3 243.332 0.104 20 0 BCADHN C[C@H](O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000221277892 345746628 /nfs/dbraw/zinc/74/66/28/345746628.db2.gz DNGDRYYSQZUOHU-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN CCC(C)(C)[C@H](O)C(=O)NC[C@H]1CCCN1C ZINC000635559403 345750447 /nfs/dbraw/zinc/75/04/47/345750447.db2.gz QXFSNPYUAHKZQY-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN CN(C)CCNC(=O)C[C@H]1CCCC[C@@H]1O ZINC000143586499 345706672 /nfs/dbraw/zinc/70/66/72/345706672.db2.gz SHRBUGVJUAIKGD-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN CC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000145940089 345712428 /nfs/dbraw/zinc/71/24/28/345712428.db2.gz WFYPVSLRDOQXEE-LBPRGKRZSA-N 0 3 225.336 0.245 20 0 BCADHN NC(=O)[C@@H]1CCCCN1CCN1CCCCC1 ZINC000205093504 345732633 /nfs/dbraw/zinc/73/26/33/345732633.db2.gz UXYNAHUQODMGQR-LBPRGKRZSA-N 0 3 239.363 0.812 20 0 BCADHN CCC[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)OC ZINC000207932028 345735000 /nfs/dbraw/zinc/73/50/00/345735000.db2.gz PMJZBSYTDCQUCP-AEJSXWLSSA-N 0 3 244.335 0.818 20 0 BCADHN CN(C)C1CN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000135050684 345761731 /nfs/dbraw/zinc/76/17/31/345761731.db2.gz JWJNAHYCZYQBHW-UHFFFAOYSA-N 0 3 244.298 0.949 20 0 BCADHN C[C@@H](O)CCN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000381397111 345800239 /nfs/dbraw/zinc/80/02/39/345800239.db2.gz PZZWRLBVQSXFIO-GMTAPVOTSA-N 0 3 249.376 0.703 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)CCC1CCC1 ZINC000673522939 488293801 /nfs/dbraw/zinc/29/38/01/488293801.db2.gz HSJPBBMBSGFSLW-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN COCCN1CCC(NC(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000141635722 345848386 /nfs/dbraw/zinc/84/83/86/345848386.db2.gz KQIXBBJLLRXIQQ-CMPLNLGQSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)[C@@H](C)C(=O)N[C@H](CO)CN1CCCC1 ZINC000673532045 488294747 /nfs/dbraw/zinc/29/47/47/488294747.db2.gz VXWCTHUTDZCAFZ-NEPJUHHUSA-N 0 3 242.363 0.851 20 0 BCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)[C@H]1C[C@@H](O)C1 ZINC000635571198 345824615 /nfs/dbraw/zinc/82/46/15/345824615.db2.gz SHMPRZVPKZIIPK-UTUOFQBUSA-N 0 3 240.347 0.558 20 0 BCADHN COC(=O)[C@@](C)(O)CN(C)CCOC(C)(C)C ZINC000588962055 345837763 /nfs/dbraw/zinc/83/77/63/345837763.db2.gz VXNNCXGXIDKYNA-LBPRGKRZSA-N 0 3 247.335 0.657 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CC[C@@H](C(F)F)C1 ZINC000588963191 345838391 /nfs/dbraw/zinc/83/83/91/345838391.db2.gz HQOBBZUCVGHXNX-XCBNKYQSSA-N 0 3 237.246 0.497 20 0 BCADHN C[C@H](C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)N(C)C ZINC000635601381 345887816 /nfs/dbraw/zinc/88/78/16/345887816.db2.gz ATOXWWMCQZGJID-QJPTWQEYSA-N 0 3 241.379 0.735 20 0 BCADHN C[C@H](C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)N(C)C ZINC000635602283 345887897 /nfs/dbraw/zinc/88/78/97/345887897.db2.gz GYZDJBLWVRFVIG-QJPTWQEYSA-N 0 3 241.379 0.878 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCO[C@@H](C)C1 ZINC000019424920 259386378 /nfs/dbraw/zinc/38/63/78/259386378.db2.gz AWTYMFXBHLHMSY-UTLUCORTSA-N 0 3 214.309 0.607 20 0 BCADHN CC[C@H](O)CN1CCCC[C@H]1CNC(C)=O ZINC000626156683 345872914 /nfs/dbraw/zinc/87/29/14/345872914.db2.gz SIMRDWPAPJSSCX-RYUDHWBXSA-N 0 3 228.336 0.748 20 0 BCADHN Fc1cnccc1CNCCCn1cncn1 ZINC000628213834 345873733 /nfs/dbraw/zinc/87/37/33/345873733.db2.gz ZWOQFPYDZAPZPX-UHFFFAOYSA-N 0 3 235.266 0.992 20 0 BCADHN CCNC(=O)CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000250295619 537917129 /nfs/dbraw/zinc/91/71/29/537917129.db2.gz OSFBSDFCBZRCIH-MVWJERBFSA-N 0 3 240.347 0.916 20 0 BCADHN CN(CC(=O)N1CC[C@@](C)(O)C1)CC(C)(C)C ZINC000635650479 345927510 /nfs/dbraw/zinc/92/75/10/345927510.db2.gz ZNZRXYRITNXVTC-CYBMUJFWSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCCCN1C)c1nc[nH]n1 ZINC000635631585 345906817 /nfs/dbraw/zinc/90/68/17/345906817.db2.gz KMNXHAGKEXUAOX-BDAKNGLRSA-N 0 3 237.307 0.466 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1CCCCN1C)c1nnc[nH]1 ZINC000635631585 345906820 /nfs/dbraw/zinc/90/68/20/345906820.db2.gz KMNXHAGKEXUAOX-BDAKNGLRSA-N 0 3 237.307 0.466 20 0 BCADHN CCc1cc(C(=O)N(C)CCN(C)C)n(C)n1 ZINC000635641070 345914211 /nfs/dbraw/zinc/91/42/11/345914211.db2.gz PCPTYLIOHSHJHI-UHFFFAOYSA-N 0 3 238.335 0.616 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635641956 345914943 /nfs/dbraw/zinc/91/49/43/345914943.db2.gz XVFSWSOGJARPNP-NXEZZACHSA-N 0 3 236.319 0.533 20 0 BCADHN CCOC(=O)[C@@H](C)CNC(=O)C1(N)CCC1 ZINC000449284840 201858118 /nfs/dbraw/zinc/85/81/18/201858118.db2.gz PAJZQQTYCAIVLR-QMMMGPOBSA-N 0 3 228.292 0.183 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCC(CO)CC1 ZINC000166944920 345963635 /nfs/dbraw/zinc/96/36/35/345963635.db2.gz BPUWLDCOJRXSAC-LLVKDONJSA-N 0 3 245.319 0.005 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC(CCO)CC1 ZINC000400948141 345932858 /nfs/dbraw/zinc/93/28/58/345932858.db2.gz VOYBXVOPHCNUNR-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN CCn1nnc(C)c1CNC[C@H](CO)C(C)C ZINC000449322196 201866825 /nfs/dbraw/zinc/86/68/25/201866825.db2.gz WSYALJYPWACURB-LLVKDONJSA-N 0 3 240.351 0.961 20 0 BCADHN C[C@H](C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)N(C)C ZINC000635665093 345967336 /nfs/dbraw/zinc/96/73/36/345967336.db2.gz UZLRFSMLJGRFLJ-AXFHLTTASA-N 0 3 239.363 0.678 20 0 BCADHN Cc1nc[nH]c1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000635675987 345972542 /nfs/dbraw/zinc/97/25/42/345972542.db2.gz JVXOXHQHFDUTJN-GZMMTYOYSA-N 0 3 248.330 0.931 20 0 BCADHN Cc1nc[nH]c1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000635675990 345972602 /nfs/dbraw/zinc/97/26/02/345972602.db2.gz JVXOXHQHFDUTJN-LDYMZIIASA-N 0 3 248.330 0.931 20 0 BCADHN CN(CC(=O)N(CCO)C1CC1)CC(C)(C)C ZINC000635695099 345983424 /nfs/dbraw/zinc/98/34/24/345983424.db2.gz UEBGUXKLXRWYHC-UHFFFAOYSA-N 0 3 242.363 0.948 20 0 BCADHN CN1CCCN(CC(=O)N2CCCC2)CC1 ZINC000202274948 345988310 /nfs/dbraw/zinc/98/83/10/345988310.db2.gz VJVGPFZMGSAUDQ-UHFFFAOYSA-N 0 3 225.336 0.246 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CC([C@@H]2CCOC2)C1 ZINC000684348448 488297922 /nfs/dbraw/zinc/29/79/22/488297922.db2.gz NNPIZPHEGVSVPI-PWSUYJOCSA-N 0 3 238.331 0.576 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H](C)N1 ZINC000620902454 346018624 /nfs/dbraw/zinc/01/86/24/346018624.db2.gz YVTOURWKPVYCIP-HBNTYKKESA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](C(=O)N1CCN(C)[C@H](C)[C@H]1C)N(C)C ZINC000635762775 346052448 /nfs/dbraw/zinc/05/24/48/346052448.db2.gz QPMSBYNXPYIDIV-GMTAPVOTSA-N 0 3 227.352 0.488 20 0 BCADHN CC(C)CN1CCC(N(C)S(C)(=O)=O)CC1 ZINC000202349242 346030112 /nfs/dbraw/zinc/03/01/12/346030112.db2.gz AXCFPTHYAQMNSX-UHFFFAOYSA-N 0 3 248.392 0.998 20 0 BCADHN CC[C@@H](C)[C@H]1CN(CCO)CCN1CCO ZINC000147831926 346030185 /nfs/dbraw/zinc/03/01/85/346030185.db2.gz HCUHQHITVVRONL-VXGBXAGGSA-N 0 3 230.352 0.003 20 0 BCADHN CC(=O)C[C@@H](C)NC(=O)C[C@@H]1CCN(C)C1 ZINC000635727625 346038896 /nfs/dbraw/zinc/03/88/96/346038896.db2.gz ZILPBDXBFAUPAF-KOLCDFICSA-N 0 3 226.320 0.812 20 0 BCADHN CN(CC(=O)N[C@H]1CCOC1)CC(C)(C)C ZINC000635728451 346039324 /nfs/dbraw/zinc/03/93/24/346039324.db2.gz SHDRGNYSRSSBFT-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)c1nccn1C ZINC000662935784 537934895 /nfs/dbraw/zinc/93/48/95/537934895.db2.gz ZSRYJSTZBRBWQV-RKDXNWHRSA-N 0 3 238.335 0.971 20 0 BCADHN CN(C)C1CN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000635745484 346046643 /nfs/dbraw/zinc/04/66/43/346046643.db2.gz WDKMKCSXBVVYFF-NSHDSACASA-N 0 3 225.336 0.243 20 0 BCADHN CC[C@@]1(C(C)C)C[C@H]1NC(=O)C(=O)NCCN ZINC000418997332 192096552 /nfs/dbraw/zinc/09/65/52/192096552.db2.gz UARKJXHAZSMGCT-SKDRFNHKSA-N 0 3 241.335 0.002 20 0 BCADHN Cc1ccc(F)c(CNC[C@@](C)(O)CO)c1 ZINC000235756555 537939731 /nfs/dbraw/zinc/93/97/31/537939731.db2.gz DINOJQRRQOFKOG-GFCCVEGCSA-N 0 3 227.279 0.967 20 0 BCADHN C[C@H](O)CN(C)CCO[C@@H]1CCCCO1 ZINC000051822096 346081120 /nfs/dbraw/zinc/08/11/20/346081120.db2.gz VKKDZLFNSYOIOX-WDEREUQCSA-N 0 3 217.309 0.842 20 0 BCADHN CNCC(=O)N(C)C[C@@H](C)c1nccs1 ZINC000571044066 323105109 /nfs/dbraw/zinc/10/51/09/323105109.db2.gz JSVOYUPTICJFDU-MRVPVSSYSA-N 0 3 227.333 0.924 20 0 BCADHN C[C@H](CO)CNCc1cnc2ccnn2c1 ZINC000390512742 346083934 /nfs/dbraw/zinc/08/39/34/346083934.db2.gz CCFZOBSRAWUEBG-VIFPVBQESA-N 0 3 220.276 0.447 20 0 BCADHN CN(CC(=O)N[C@H]1[C@@H]2COC[C@@H]21)CC(C)(C)C ZINC000635882674 346101401 /nfs/dbraw/zinc/10/14/01/346101401.db2.gz ZHOBBLDXSQITLT-IAZYJMLFSA-N 0 3 240.347 0.725 20 0 BCADHN C[C@H](C(=O)N1CCN(C)C(C)(C)C1)N(C)C ZINC000635893328 346103783 /nfs/dbraw/zinc/10/37/83/346103783.db2.gz QFNHNIZXDOXVOV-SNVBAGLBSA-N 0 3 227.352 0.489 20 0 BCADHN CN(CCCO)C(=O)[C@H]1CCN1C1CCCC1 ZINC000635896171 346104620 /nfs/dbraw/zinc/10/46/20/346104620.db2.gz GYLBIRBQSXJOOI-GFCCVEGCSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](C(=O)N[C@@H](C)CN(C)C)N(C)C ZINC000635928281 346117804 /nfs/dbraw/zinc/11/78/04/346117804.db2.gz BXERCVUZCGGEFR-DTWKUNHWSA-N 0 3 201.314 0.003 20 0 BCADHN Cc1nc[nH]c1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000635954172 346122982 /nfs/dbraw/zinc/12/29/82/346122982.db2.gz LAOVOQPIEOVEQJ-NXEZZACHSA-N 0 3 234.303 0.494 20 0 BCADHN CC(C)[C@H](CO)C(=O)N1CCN2CCC1CC2 ZINC000334912299 535024783 /nfs/dbraw/zinc/02/47/83/535024783.db2.gz CNHIBWDRLBRRNA-LBPRGKRZSA-N 0 3 240.347 0.558 20 0 BCADHN CC1(C)[C@@H](O)CCN1CCN1CCCC1=O ZINC000336031265 535027183 /nfs/dbraw/zinc/02/71/83/535027183.db2.gz LOXZLQFIXWLVLC-JTQLQIEISA-N 0 3 226.320 0.454 20 0 BCADHN O=C(CNC1CC1)N1CCC(CCO)CC1 ZINC000401077171 346158070 /nfs/dbraw/zinc/15/80/70/346158070.db2.gz PJBDYFKJFXWZJN-UHFFFAOYSA-N 0 3 226.320 0.359 20 0 BCADHN CC[C@@H](O)CNC(=O)CN(C)CC(C)(C)C ZINC000636022318 346159793 /nfs/dbraw/zinc/15/97/93/346159793.db2.gz QXCOEAUSWIARSE-SNVBAGLBSA-N 0 3 230.352 0.851 20 0 BCADHN Cc1ncc(CNC[C@@]2(O)CCN(C)C2)o1 ZINC000628239643 346200417 /nfs/dbraw/zinc/20/04/17/346200417.db2.gz ZGJWDIZZGKSPMG-NSHDSACASA-N 0 3 225.292 0.139 20 0 BCADHN C[C@H]1[C@H](N(C)C)CCN1C(=O)C(=O)c1ccc[nH]1 ZINC000631474043 346214726 /nfs/dbraw/zinc/21/47/26/346214726.db2.gz AOVLJJWJNMDSEN-GXSJLCMTSA-N 0 3 249.314 0.748 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CC[C@H](COC)C1 ZINC000167026453 346182117 /nfs/dbraw/zinc/18/21/17/346182117.db2.gz PWPBVNJGUKDXDJ-WDEREUQCSA-N 0 3 245.319 0.269 20 0 BCADHN CCN(C)C(=O)CNCc1ccc(=O)[nH]c1 ZINC000631114825 346230960 /nfs/dbraw/zinc/23/09/60/346230960.db2.gz INSNXILINMYNKS-UHFFFAOYSA-N 0 3 223.276 0.355 20 0 BCADHN Cc1cccc(C(=O)N2CCCNCC2)n1 ZINC000022222506 179008939 /nfs/dbraw/zinc/00/89/39/179008939.db2.gz ANMORAASEHOXPQ-UHFFFAOYSA-N 0 3 219.288 0.826 20 0 BCADHN CC(=O)c1ccnc(N2CCNCC2)c1 ZINC000167271636 346224354 /nfs/dbraw/zinc/22/43/54/346224354.db2.gz PFCLBFOFWBPUCS-UHFFFAOYSA-N 0 3 205.261 0.694 20 0 BCADHN Cc1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1[O-] ZINC000050228566 179010747 /nfs/dbraw/zinc/01/07/47/179010747.db2.gz HUGIRYIEVLYHBK-VIFPVBQESA-N 0 3 220.272 0.874 20 0 BCADHN CNC(=O)C[C@H](C)N[C@@H](CC(C)C)C(=O)NC ZINC000679086181 488307151 /nfs/dbraw/zinc/30/71/51/488307151.db2.gz BOZLMAHKQZTOBW-UWVGGRQHSA-N 0 3 243.351 0.261 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NC[C@H](O)C(F)(F)F ZINC000228502376 349946545 /nfs/dbraw/zinc/94/65/45/349946545.db2.gz YCEJMDKFQHSMNM-VQVTYTSYSA-N 0 3 242.241 0.399 20 0 BCADHN CCCN1CC[C@@H](NC(=O)COCCOC)C1 ZINC000389413061 346254431 /nfs/dbraw/zinc/25/44/31/346254431.db2.gz SOSROLRXFXJAHK-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN Cc1cccc(C(=O)NCCC[NH3+])c1[O-] ZINC000019516282 179015981 /nfs/dbraw/zinc/01/59/81/179015981.db2.gz PFTYJGZTBRXXLZ-UHFFFAOYSA-N 0 3 208.261 0.779 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(Cc2cnc(C)o2)C1 ZINC000628257538 346257023 /nfs/dbraw/zinc/25/70/23/346257023.db2.gz QCGFIORYSTYFQP-LBPRGKRZSA-N 0 3 237.303 0.941 20 0 BCADHN C[C@]1(NCc2ccncc2N)CCOC1 ZINC000641745567 362666996 /nfs/dbraw/zinc/66/69/96/362666996.db2.gz VAHKCQFSKIWXSJ-NSHDSACASA-N 0 3 207.277 0.932 20 0 BCADHN O=C1C[C@H]2CC[C@@H](CN1)N2CCn1ccnc1 ZINC000332689546 537963932 /nfs/dbraw/zinc/96/39/32/537963932.db2.gz QOZTVLAEGAAYJZ-MNOVXSKESA-N 0 3 234.303 0.236 20 0 BCADHN CC[C@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H](C)CN ZINC000419098208 192099628 /nfs/dbraw/zinc/09/96/28/192099628.db2.gz QVJXZLSKQIVPQI-UTLUCORTSA-N 0 3 241.335 0.145 20 0 BCADHN CC[C@H]1CCC[C@H]1NC(=O)C(=O)N[C@H](C)CN ZINC000419098205 192099634 /nfs/dbraw/zinc/09/96/34/192099634.db2.gz QVJXZLSKQIVPQI-KXUCPTDWSA-N 0 3 241.335 0.145 20 0 BCADHN Cc1cccc(C(=O)NC[C@@H]2CNCCO2)n1 ZINC000134259259 179018525 /nfs/dbraw/zinc/01/85/25/179018525.db2.gz UKKDDPGGIRTYIQ-JTQLQIEISA-N 0 3 235.287 0.108 20 0 BCADHN Nc1cnccc1CNCCN1CCC1 ZINC000641743110 362670182 /nfs/dbraw/zinc/67/01/82/362670182.db2.gz QDCYTEMDBYULBQ-UHFFFAOYSA-N 0 3 206.293 0.459 20 0 BCADHN CC[C@@H](O)CCNCc1ccncc1N ZINC000641738107 362664023 /nfs/dbraw/zinc/66/40/23/362664023.db2.gz BYQOPJCQRUKZMF-SNVBAGLBSA-N 0 3 209.293 0.914 20 0 BCADHN CC[C@H](O)CCNCc1ccncc1N ZINC000641738106 362664407 /nfs/dbraw/zinc/66/44/07/362664407.db2.gz BYQOPJCQRUKZMF-JTQLQIEISA-N 0 3 209.293 0.914 20 0 BCADHN CC[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H](C)CN ZINC000419098204 192099751 /nfs/dbraw/zinc/09/97/51/192099751.db2.gz QVJXZLSKQIVPQI-IVZWLZJFSA-N 0 3 241.335 0.145 20 0 BCADHN Cc1ncc(CN2CC[C@@H](CC(N)=O)C2)o1 ZINC000628282820 346294322 /nfs/dbraw/zinc/29/43/22/346294322.db2.gz UKPHLHIJAPFQQL-VIFPVBQESA-N 0 3 223.276 0.680 20 0 BCADHN C[C@H](CCNCc1ccncc1N)[S@@](C)=O ZINC000603427564 349949756 /nfs/dbraw/zinc/94/97/56/349949756.db2.gz OAHCPDDPIXFUHU-JDNHERCYSA-N 0 3 241.360 0.911 20 0 BCADHN COC[C@H](CNCc1ccncc1N)OC ZINC000641748016 362675591 /nfs/dbraw/zinc/67/55/91/362675591.db2.gz RXBSOSGQYVJDPG-JTQLQIEISA-N 0 3 225.292 0.415 20 0 BCADHN C[C@@H](O)C[C@@H](C)NCc1ccncc1N ZINC000641748030 362675600 /nfs/dbraw/zinc/67/56/00/362675600.db2.gz SFRCNSFPMJLXKE-RKDXNWHRSA-N 0 3 209.293 0.913 20 0 BCADHN CO[C@]1(CNCc2ccncc2N)CCOC1 ZINC000641747975 362675609 /nfs/dbraw/zinc/67/56/09/362675609.db2.gz MXZWJYQBOQUWRO-LBPRGKRZSA-N 0 3 237.303 0.559 20 0 BCADHN Cc1cccc(C)c1CCNC(=O)CN ZINC000083941419 179032700 /nfs/dbraw/zinc/03/27/00/179032700.db2.gz WSJPPLNGTLLOMJ-UHFFFAOYSA-N 0 3 206.289 0.921 20 0 BCADHN Cc1nc[nH]c1C(=O)N(C)C[C@H]1CCCN1C ZINC000636054302 346300782 /nfs/dbraw/zinc/30/07/82/346300782.db2.gz PVCUCYLNEFSPBD-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN Cn1ccc(CCNCc2ccncc2N)n1 ZINC000641747550 362674200 /nfs/dbraw/zinc/67/42/00/362674200.db2.gz KQTSQOZYTGRSIP-UHFFFAOYSA-N 0 3 231.303 0.730 20 0 BCADHN CNC(=O)C[C@@H](C)NCc1ccncc1N ZINC000641758620 362688009 /nfs/dbraw/zinc/68/80/09/362688009.db2.gz SZLFPMHRKLKBMA-MRVPVSSYSA-N 0 3 222.292 0.278 20 0 BCADHN CN(CC(=O)N[C@@H](CO)CCF)CC(C)(C)C ZINC000636127536 346328558 /nfs/dbraw/zinc/32/85/58/346328558.db2.gz GLPCRUOWAILRMH-SNVBAGLBSA-N 0 3 248.342 0.801 20 0 BCADHN CN1CC[C@H](NC[C@@H](O)CC(F)(F)F)C1=O ZINC000307939951 323119964 /nfs/dbraw/zinc/11/99/64/323119964.db2.gz BIQFOGQLZDPQMV-BQBZGAKWSA-N 0 3 240.225 0.120 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)c1cnccn1 ZINC000636150705 346333986 /nfs/dbraw/zinc/33/39/86/346333986.db2.gz PFNMFIVDBSADRY-JTQLQIEISA-N 0 3 236.319 0.996 20 0 BCADHN CCCN(C(=O)[C@@H](C)N(C)C)[C@@H]1CCN(C)C1 ZINC000636063800 346308130 /nfs/dbraw/zinc/30/81/30/346308130.db2.gz RPJRSNXCAMUFIS-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN Nc1cnccc1CNC[C@@H]1CCC[C@H]1O ZINC000641760784 362692253 /nfs/dbraw/zinc/69/22/53/362692253.db2.gz WEFXHQFHGFDXRC-CMPLNLGQSA-N 0 3 221.304 0.914 20 0 BCADHN CN(C)[C@H]1C[C@@H](NC(=O)C2CC(=O)C2)C1(C)C ZINC000636096963 346317914 /nfs/dbraw/zinc/31/79/14/346317914.db2.gz JFUBCADMKOXTAD-MNOVXSKESA-N 0 3 238.331 0.810 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N[C@H](C)C(C)(C)C ZINC000563337503 323119062 /nfs/dbraw/zinc/11/90/62/323119062.db2.gz BDYOQTKIVFVHKF-BDAKNGLRSA-N 0 3 244.335 0.818 20 0 BCADHN CN(CC1CN(C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000636181310 346348546 /nfs/dbraw/zinc/34/85/46/346348546.db2.gz WWWYCJZXDVKDFM-GHMZBOCLSA-N 0 3 248.330 0.533 20 0 BCADHN CN(CC1CN(C)C1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636181310 346348548 /nfs/dbraw/zinc/34/85/48/346348548.db2.gz WWWYCJZXDVKDFM-GHMZBOCLSA-N 0 3 248.330 0.533 20 0 BCADHN CCc1ncc(CN[C@H](CO)CCOC)cn1 ZINC000641766379 362698416 /nfs/dbraw/zinc/69/84/16/362698416.db2.gz XIUZYUYLCJLULJ-NSHDSACASA-N 0 3 239.319 0.526 20 0 BCADHN C[C@@H](O)C1(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC000636227088 346360422 /nfs/dbraw/zinc/36/04/22/346360422.db2.gz MYVRGKPTEYVJKW-SNVBAGLBSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](NCc1ccncc1N)C1(CO)CC1 ZINC000641772943 362712717 /nfs/dbraw/zinc/71/27/17/362712717.db2.gz UWVSPNGVTYXACO-VIFPVBQESA-N 0 3 221.304 0.914 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000157179568 346378037 /nfs/dbraw/zinc/37/80/37/346378037.db2.gz UIZATJWCNSVLLB-SWPVVBRQSA-N 0 3 220.272 0.108 20 0 BCADHN CCN(C(=O)CN(C)C)[C@@H]1CCN(CC)C1 ZINC000617929148 346379725 /nfs/dbraw/zinc/37/97/25/346379725.db2.gz CESFFBJTPGDDBU-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN CC[C@H](C)C[C@H](C)NC(=O)C(=O)N[C@@H](C)CN ZINC000419175671 192101850 /nfs/dbraw/zinc/10/18/50/192101850.db2.gz PPTICWPQDRRMSB-GUBZILKMSA-N 0 3 243.351 0.391 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ncccc1N ZINC000157732750 346386022 /nfs/dbraw/zinc/38/60/22/346386022.db2.gz NECMZVKLVSXVQI-QMMMGPOBSA-N 0 3 222.292 0.344 20 0 BCADHN CCC(CC)CNC(=O)C(=O)N(C)[C@@H](C)CN ZINC000419135775 192101901 /nfs/dbraw/zinc/10/19/01/192101901.db2.gz AQTQIVYHNGHAML-VIFPVBQESA-N 0 3 243.351 0.344 20 0 BCADHN CCN(C(=O)[C@@H]1CCOC1)[C@H]1CCN(CC)C1 ZINC000617929601 346387322 /nfs/dbraw/zinc/38/73/22/346387322.db2.gz NAPAIIKFDUHWFK-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(C(=O)CCOC)[C@@H]1CCN(CC)C1 ZINC000617929998 346400255 /nfs/dbraw/zinc/40/02/55/346400255.db2.gz VJKASUJJKAZYMB-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC(C)NCC(=O)N1CCSC[C@H]1C ZINC000069761750 349957714 /nfs/dbraw/zinc/95/77/14/349957714.db2.gz SQGZKNXIXXGGHG-SECBINFHSA-N 0 3 216.350 0.948 20 0 BCADHN CO[C@H]1C[C@H](NCc2ccncc2N)C1 ZINC000641773921 362718372 /nfs/dbraw/zinc/71/83/72/362718372.db2.gz LYFGIGNFACWCEI-MGCOHNPYSA-N 0 3 207.277 0.931 20 0 BCADHN CNCC(=O)N(C)[C@@H](C)c1cccnc1 ZINC000574915130 346413010 /nfs/dbraw/zinc/41/30/10/346413010.db2.gz DKYQNYRTRSAXQQ-VIFPVBQESA-N 0 3 207.277 0.820 20 0 BCADHN CCNC(=O)CCN1CCN(C)C(C)(C)C1 ZINC000574924411 346414527 /nfs/dbraw/zinc/41/45/27/346414527.db2.gz KUAGSYSUWJBMOX-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cccc(N)n2)[C@@H]1C ZINC000575047133 346425243 /nfs/dbraw/zinc/42/52/43/346425243.db2.gz FUMJRCXGHGYMTP-RKDXNWHRSA-N 0 3 234.303 0.486 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cccc(N)n2)[C@H]1C ZINC000575047132 346425347 /nfs/dbraw/zinc/42/53/47/346425347.db2.gz FUMJRCXGHGYMTP-IUCAKERBSA-N 0 3 234.303 0.486 20 0 BCADHN Cc1cccc(CN2C[C@H](O)[C@@H](O)C2)c1C ZINC000278404570 179084918 /nfs/dbraw/zinc/08/49/18/179084918.db2.gz OXKSXRNRMPQSGK-STQMWFEESA-N 0 3 221.300 0.841 20 0 BCADHN C[C@@]1(F)CNCCN(CCc2cn[nH]c2)C1 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/nfs/dbraw/zinc/39/22/14/187392214.db2.gz XHZPGHNTZOVVRB-BQBZGAKWSA-N 0 3 209.236 0.770 20 0 BCADHN CO[C@@H](CC(C)C)CN1CCOC[C@H](O)C1 ZINC000419294063 192118561 /nfs/dbraw/zinc/11/85/61/192118561.db2.gz VMZHVVANUPFXCC-NEPJUHHUSA-N 0 3 231.336 0.741 20 0 BCADHN CC[C@H](CN[C@H]1C(=O)NCC[C@H]1C)OC ZINC000419294132 192118686 /nfs/dbraw/zinc/11/86/86/192118686.db2.gz OJJXNFNMUMRVNH-OPRDCNLKSA-N 0 3 214.309 0.526 20 0 BCADHN CO[C@@H](CC(C)C)CN1CCOC[C@@H](O)C1 ZINC000419294065 192119044 /nfs/dbraw/zinc/11/90/44/192119044.db2.gz VMZHVVANUPFXCC-RYUDHWBXSA-N 0 3 231.336 0.741 20 0 BCADHN CC[C@H](CN[C@@H]1C(=O)NCC[C@H]1C)OC ZINC000419294130 192119189 /nfs/dbraw/zinc/11/91/89/192119189.db2.gz OJJXNFNMUMRVNH-BBBLOLIVSA-N 0 3 214.309 0.526 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NC[C@H](O)C(C)(C)C ZINC000324309493 187392414 /nfs/dbraw/zinc/39/24/14/187392414.db2.gz YSCPIQNXUCTINV-ZJUUUORDSA-N 0 3 230.352 0.883 20 0 BCADHN COC(=O)[C@@](C)(O)CN1C[C@@H]2CCCC[C@@H]21 ZINC000595569410 348284621 /nfs/dbraw/zinc/28/46/21/348284621.db2.gz XYONNSMZFNPZIO-NHCYSSNCSA-N 0 3 227.304 0.785 20 0 BCADHN CC(C)(CO)NCc1ccc(C(N)=O)cc1 ZINC000035118348 358454680 /nfs/dbraw/zinc/45/46/80/358454680.db2.gz DFFCUSJJLUYSTG-UHFFFAOYSA-N 0 3 222.288 0.646 20 0 BCADHN CCCN(CC(N)=O)C[C@@H](CC)OC ZINC000419288427 192117722 /nfs/dbraw/zinc/11/77/22/192117722.db2.gz PQQDNMPPTWTASI-SECBINFHSA-N 0 3 202.298 0.609 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2[nH]ncc2C)C1 ZINC000336695931 187393601 /nfs/dbraw/zinc/39/36/01/187393601.db2.gz YMOYEEKCRZGGIY-SNVBAGLBSA-N 0 3 222.292 0.429 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@H]1CCCO1 ZINC000595669865 348296955 /nfs/dbraw/zinc/29/69/55/348296955.db2.gz OMCBTVXIJQZBPG-KXUCPTDWSA-N 0 3 229.276 0.086 20 0 BCADHN CSCCN1C[C@@H](C)N(CCO)C[C@H]1C ZINC000419326844 192121805 /nfs/dbraw/zinc/12/18/05/192121805.db2.gz MUDDKOYWPCSZBG-GHMZBOCLSA-N 0 3 232.393 0.736 20 0 BCADHN CCC[C@H](O)CN1C[C@H](C)N(CCO)C[C@H]1C ZINC000419326411 192122182 /nfs/dbraw/zinc/12/21/82/192122182.db2.gz CCCHSKKBONMTTE-XQQFMLRXSA-N 0 3 244.379 0.534 20 0 BCADHN COC[C@H](C)NC[C@@H](O)C(F)(F)F ZINC000082680564 348318460 /nfs/dbraw/zinc/31/84/60/348318460.db2.gz HTRXFWCWMCAXAG-NTSWFWBYSA-N 0 3 201.188 0.534 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CS[C@H](C)C1 ZINC000251703516 362899537 /nfs/dbraw/zinc/89/95/37/362899537.db2.gz BIOMLZICFDWTNZ-HLTSFMKQSA-N 0 3 237.390 0.903 20 0 BCADHN CCOC(=O)COCCN1CCC[C@@H]1[C@@H](C)O ZINC000595765020 348334418 /nfs/dbraw/zinc/33/44/18/348334418.db2.gz GKTFEFURIZNBBV-GHMZBOCLSA-N 0 3 245.319 0.411 20 0 BCADHN CCSCCN1CCC(=O)N(C)CC1 ZINC000595771734 348336397 /nfs/dbraw/zinc/33/63/97/348336397.db2.gz FAWQTTAALNYJNY-UHFFFAOYSA-N 0 3 216.350 0.904 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C[C@H](C)O ZINC000125636054 187394205 /nfs/dbraw/zinc/39/42/05/187394205.db2.gz IPEUPZQTECEVBG-VIFPVBQESA-N 0 3 202.298 0.166 20 0 BCADHN CCOC(=O)CCN1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595745346 348339236 /nfs/dbraw/zinc/33/92/36/348339236.db2.gz RWBXUTUPEVLITE-IAZYJMLFSA-N 0 3 229.320 0.888 20 0 BCADHN CC(C)CC1(NCC(=O)NC(N)=O)CC1 ZINC000595836084 348370049 /nfs/dbraw/zinc/37/00/49/348370049.db2.gz ZCBRGXAQFFCELI-UHFFFAOYSA-N 0 3 213.281 0.350 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)CCCO)C1 ZINC000595852714 348356681 /nfs/dbraw/zinc/35/66/81/348356681.db2.gz PMXMITQPADMILU-DTORHVGOSA-N 0 3 201.266 0.252 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)C[C@@H](O)CSC)C1 ZINC000595855072 348357527 /nfs/dbraw/zinc/35/75/27/348357527.db2.gz DNEURBZETWMICL-KXUCPTDWSA-N 0 3 247.360 0.594 20 0 BCADHN Cc1nocc1S(=O)(=O)[N-]C[C@@H]([NH3+])C(C)C ZINC000631905382 362920168 /nfs/dbraw/zinc/92/01/68/362920168.db2.gz LOZCEONWESGDSD-MRVPVSSYSA-N 0 3 247.320 0.245 20 0 BCADHN COC(=O)[C@H](C1CC1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000595830358 348365007 /nfs/dbraw/zinc/36/50/07/348365007.db2.gz KSPBTIDOYJIMLQ-WOPDTQHZSA-N 0 3 239.315 0.906 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NCC(C)(F)F ZINC000595971022 348407466 /nfs/dbraw/zinc/40/74/66/348407466.db2.gz DKSNBCOSKPHRRU-LURJTMIESA-N 0 3 238.234 0.038 20 0 BCADHN Cc1nccn1CCNCc1ncc[nH]1 ZINC000263888919 187397079 /nfs/dbraw/zinc/39/70/79/187397079.db2.gz KXNSKIPGFFNBLR-UHFFFAOYSA-N 0 3 205.265 0.704 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000595975095 348412686 /nfs/dbraw/zinc/41/26/86/348412686.db2.gz MJOZCDWKWXRYJR-HRDYMLBCSA-N 0 3 242.319 0.428 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)C(=O)CNC(C)C)C1 ZINC000595981143 348415928 /nfs/dbraw/zinc/41/59/28/348415928.db2.gz NBXWYPRJQZVNSZ-AOOOYVTPSA-N 0 3 242.319 0.394 20 0 BCADHN CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)[C@H](C)N ZINC000595980996 348415965 /nfs/dbraw/zinc/41/59/65/348415965.db2.gz MMGKJZPPRNWFJW-AUTRQRHGSA-N 0 3 242.319 0.572 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1CC2CC1(C)C2 ZINC000595986688 348419705 /nfs/dbraw/zinc/41/97/05/348419705.db2.gz RCLNIMZWKUKYDQ-XEVUQIKYSA-N 0 3 240.303 0.278 20 0 BCADHN CCC[C@@](C)(NC[C@H]1CNCCO1)C(=O)OC ZINC000595894213 348390897 /nfs/dbraw/zinc/39/08/97/348390897.db2.gz VNDYEPJPBJGARK-ZYHUDNBSSA-N 0 3 244.335 0.296 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC(=O)C2(N)CCCC2)C1 ZINC000595987541 348419990 /nfs/dbraw/zinc/41/99/90/348419990.db2.gz AFFYJZJQKAJVPS-KYZUINATSA-N 0 3 240.303 0.326 20 0 BCADHN C=Cn1cc(CNC[C@](C)(O)CCOC)cn1 ZINC000194316741 187396120 /nfs/dbraw/zinc/39/61/20/187396120.db2.gz MKGNTCKYPGVTKG-GFCCVEGCSA-N 0 3 239.319 0.861 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N1CC2CC1(C)C2 ZINC000595986686 348420163 /nfs/dbraw/zinc/42/01/63/348420163.db2.gz RCLNIMZWKUKYDQ-NBBOBHDQSA-N 0 3 240.303 0.278 20 0 BCADHN CC(C)OCCN1C[C@H](C)N(CCO)C[C@@H]1C ZINC000419338261 192125169 /nfs/dbraw/zinc/12/51/69/192125169.db2.gz YXALUKOOSDGPCQ-STQMWFEESA-N 0 3 244.379 0.798 20 0 BCADHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCC1 ZINC000595917117 348400380 /nfs/dbraw/zinc/40/03/80/348400380.db2.gz BIUQGTULPWGCSW-ZJUUUORDSA-N 0 3 240.303 0.150 20 0 BCADHN CCOC(=O)CNC(=O)C1(N)CC2(CCC2)C1 ZINC000595924186 348402543 /nfs/dbraw/zinc/40/25/43/348402543.db2.gz ICKMJOKSPGFOHC-UHFFFAOYSA-N 0 3 240.303 0.327 20 0 BCADHN CC[C@H](C)[C@H](NC(=O)CNC(C)C)C(=O)OC ZINC000037394751 348404904 /nfs/dbraw/zinc/40/49/04/348404904.db2.gz NRYBNBYQUPWVSR-ONGXEEELSA-N 0 3 244.335 0.688 20 0 BCADHN C[C@H]1[C@@H](C)N(CC(=O)NC(N)=O)C[C@H]1C ZINC000419393775 192130480 /nfs/dbraw/zinc/13/04/80/192130480.db2.gz NVCSKXAAAWRJLX-BWZBUEFSSA-N 0 3 213.281 0.158 20 0 BCADHN CCn1nccc1CNC[C@H](O)CSC ZINC000596071433 348437832 /nfs/dbraw/zinc/43/78/32/348437832.db2.gz ZAHWXUWSNAPPIP-JTQLQIEISA-N 0 3 229.349 0.717 20 0 BCADHN CNC(=O)NC(=O)CN1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419385403 192133490 /nfs/dbraw/zinc/13/34/90/192133490.db2.gz CEDOGFAEDMYOAC-YIZRAAEISA-N 0 3 227.308 0.418 20 0 BCADHN C[C@@H]1CN(CCNS(C)(=O)=O)[C@@H](C)[C@H]1C ZINC000419372659 192128522 /nfs/dbraw/zinc/12/85/22/192128522.db2.gz MSXWKZOSLFMFDY-UTLUCORTSA-N 0 3 234.365 0.512 20 0 BCADHN CCS(=O)(=O)NCCN1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419371173 192128877 /nfs/dbraw/zinc/12/88/77/192128877.db2.gz KLMJAALBADCCJV-AXFHLTTASA-N 0 3 248.392 0.902 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N[C@@H]1CC[C@@H](C)CC1 ZINC000419771897 192144765 /nfs/dbraw/zinc/14/47/65/192144765.db2.gz MIFJXSRMDWUOJB-OPRDCNLKSA-N 0 3 241.335 0.145 20 0 BCADHN C[C@H](CN)N(C)C(=O)C(=O)NCCC1(C)CC1 ZINC000419779507 192145153 /nfs/dbraw/zinc/14/51/53/192145153.db2.gz MZYTVSANPDGQNI-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1cccc2c[nH]nc21 ZINC000419796084 192145314 /nfs/dbraw/zinc/14/53/14/192145314.db2.gz MPUAUSQNHUBHMX-LDYMZIIASA-N 0 3 235.287 0.394 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1cc(F)cc(F)c1 ZINC000419796142 192145344 /nfs/dbraw/zinc/14/53/44/192145344.db2.gz NEMFQCSJXSCEEZ-RDDDGLTNSA-N 0 3 231.242 0.796 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1cccc(F)c1 ZINC000419814071 192145654 /nfs/dbraw/zinc/14/56/54/192145654.db2.gz ONLNWZLGYMILPL-LDYMZIIASA-N 0 3 213.252 0.657 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1ccc(F)c(F)c1 ZINC000419814100 192145881 /nfs/dbraw/zinc/14/58/81/192145881.db2.gz ORQNOGGYMQUKEI-RDDDGLTNSA-N 0 3 231.242 0.796 20 0 BCADHN CCC[C@@H]1CCCN(C(=O)C(=O)NCCN)C1 ZINC000419809855 192145920 /nfs/dbraw/zinc/14/59/20/192145920.db2.gz ABTOIKCQTYYEEZ-SNVBAGLBSA-N 0 3 241.335 0.100 20 0 BCADHN CN(C(=O)C(=O)NCCN)[C@H]1CCC(C)(C)C1 ZINC000419822236 192145963 /nfs/dbraw/zinc/14/59/63/192145963.db2.gz VYAICEKNFAWHIH-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN COc1ccc(CN(C)CCC(N)=O)cc1O ZINC000267375448 187398608 /nfs/dbraw/zinc/39/86/08/187398608.db2.gz LGXSGIGOXCQDDP-UHFFFAOYSA-N 0 3 238.287 0.708 20 0 BCADHN CC[C@H](C(=O)NCCN(C)C1CC1)[C@H](C)O ZINC000419891786 192148205 /nfs/dbraw/zinc/14/82/05/192148205.db2.gz NOAHVIUZPXAARV-ONGXEEELSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@H](C)CC1(C)C ZINC000420015650 192153286 /nfs/dbraw/zinc/15/32/86/192153286.db2.gz LRUBANSYZCEMGP-BDAKNGLRSA-N 0 3 241.335 0.097 20 0 BCADHN CC(C)CN(C(=O)C(=O)N[C@@H](C)CN)C1CC1 ZINC000420017520 192153597 /nfs/dbraw/zinc/15/35/97/192153597.db2.gz OGKVLNXYZDCLII-VIFPVBQESA-N 0 3 241.335 0.097 20 0 BCADHN CCN(C(=O)C(=O)N[C@H](C)CN)[C@@H](C)C(C)C ZINC000420016386 192153718 /nfs/dbraw/zinc/15/37/18/192153718.db2.gz SISYTNOKNKIBLT-ZJUUUORDSA-N 0 3 243.351 0.343 20 0 BCADHN CC[C@H]1CC[C@H](C)N1C(=O)C(=O)N[C@H](C)CN ZINC000420018670 192154019 /nfs/dbraw/zinc/15/40/19/192154019.db2.gz YINCIAPUQAAQNF-UTLUCORTSA-N 0 3 241.335 0.239 20 0 BCADHN CCCN(CC1CC1)C(=O)C(=O)N[C@@H](C)CN ZINC000420021093 192156409 /nfs/dbraw/zinc/15/64/09/192156409.db2.gz GVWSPKQLFZYEMT-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN CC[C@H]1CC[C@H](C)N1C(=O)C(=O)N[C@@H](C)CN ZINC000420035169 192158208 /nfs/dbraw/zinc/15/82/08/192158208.db2.gz YINCIAPUQAAQNF-GUBZILKMSA-N 0 3 241.335 0.239 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N(C)C1CCCCC1 ZINC000420035166 192158597 /nfs/dbraw/zinc/15/85/97/192158597.db2.gz YHJBCICZVRCLLL-VIFPVBQESA-N 0 3 241.335 0.241 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000420035099 192158677 /nfs/dbraw/zinc/15/86/77/192158677.db2.gz YAFFEFYKRQIIOO-KXUCPTDWSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H](C)O ZINC000420092497 192160090 /nfs/dbraw/zinc/16/00/90/192160090.db2.gz OFLLNAWPNLIGMN-NNYUYHANSA-N 0 3 240.347 0.556 20 0 BCADHN CCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000253267501 348635757 /nfs/dbraw/zinc/63/57/57/348635757.db2.gz YHQYCRYFBOAIDY-YGOYTEALSA-N 0 3 226.320 0.655 20 0 BCADHN CCc1nn(C)cc1CNC[C@@H](O)COC ZINC000092395457 538008700 /nfs/dbraw/zinc/00/87/00/538008700.db2.gz CUSKWEVLGNFTGL-SNVBAGLBSA-N 0 3 227.308 0.079 20 0 BCADHN COC(=O)[C@@H]1CCN(Cc2cnn3c2CCC3)C1 ZINC000596981148 348642545 /nfs/dbraw/zinc/64/25/45/348642545.db2.gz IGJGCOQXLXLPGM-SNVBAGLBSA-N 0 3 249.314 0.824 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@@H]1CC[C@H]1SC ZINC000597187566 348684528 /nfs/dbraw/zinc/68/45/28/348684528.db2.gz OCJJTJWNBGZZIE-UTINFBMNSA-N 0 3 245.344 0.801 20 0 BCADHN COC(=O)[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC000597243449 348687786 /nfs/dbraw/zinc/68/77/86/348687786.db2.gz JVFUGXWZQGIIIB-KYZUINATSA-N 0 3 223.276 0.461 20 0 BCADHN COC(=O)[C@H]1C[C@H](NCc2cn[nH]c2)C1 ZINC000597247085 348689860 /nfs/dbraw/zinc/68/98/60/348689860.db2.gz YEONRKGWVNYFTF-KYZUINATSA-N 0 3 209.249 0.451 20 0 BCADHN CCn1nccc1CN[C@H]1C[C@@H](C(=O)OC)C1 ZINC000597221076 348692479 /nfs/dbraw/zinc/69/24/79/348692479.db2.gz LZMWLSWULAFVGJ-AOOOYVTPSA-N 0 3 237.303 0.944 20 0 BCADHN CC(C)SCC(=O)N[C@H](CO)CN(C)C ZINC000597653496 348775885 /nfs/dbraw/zinc/77/58/85/348775885.db2.gz JZFKZAXEYNOIMG-VIFPVBQESA-N 0 3 234.365 0.167 20 0 BCADHN CS[C@H](C)CCC(=O)N[C@@H](CO)CN(C)C ZINC000597652999 348775931 /nfs/dbraw/zinc/77/59/31/348775931.db2.gz HCBCUYLYLUJNNK-NXEZZACHSA-N 0 3 248.392 0.557 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCCN1C ZINC000421710344 192374581 /nfs/dbraw/zinc/37/45/81/192374581.db2.gz KAUIWXXORXSVJV-TUAOUCFPSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)Cn1cccn1 ZINC000421705154 192375349 /nfs/dbraw/zinc/37/53/49/192375349.db2.gz QQLXFVOSQJITHY-LLVKDONJSA-N 0 3 236.319 0.436 20 0 BCADHN CCN(C)CCNC(=O)Cc1ccccc1N ZINC000054109986 348891527 /nfs/dbraw/zinc/89/15/27/348891527.db2.gz NBJOIRXIQYIHHN-UHFFFAOYSA-N 0 3 235.331 0.879 20 0 BCADHN CCOCCNC(=O)[C@H](N)C1CCC1 ZINC000399241460 323201252 /nfs/dbraw/zinc/20/12/52/323201252.db2.gz UHUHRKKFPLXPKQ-SECBINFHSA-N 0 3 200.282 0.267 20 0 BCADHN CCC[C@@H](O)CN1CCN(C2CC2)CC1 ZINC000050193545 348874868 /nfs/dbraw/zinc/87/48/68/348874868.db2.gz STKOFRUVZZUTAB-GFCCVEGCSA-N 0 3 212.337 0.927 20 0 BCADHN CN[C@@H](C)C(=O)N(CCOC)CC(C)C ZINC000054075064 348876958 /nfs/dbraw/zinc/87/69/58/348876958.db2.gz CYKOADHPXMJZHB-JTQLQIEISA-N 0 3 216.325 0.725 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cccc2c1OCO2 ZINC000054076061 348878069 /nfs/dbraw/zinc/87/80/69/348878069.db2.gz IUNPUPFJLMSUNR-QMMMGPOBSA-N 0 3 236.271 0.639 20 0 BCADHN CC[C@@H](C)NC(=O)CCNC(=O)[C@H](C)NC ZINC000054075641 348878127 /nfs/dbraw/zinc/87/81/27/348878127.db2.gz GDSGTFWVQOMWSA-BDAKNGLRSA-N 0 3 229.324 0.015 20 0 BCADHN CN[C@@H](C)C(=O)NCCCOC(C)C ZINC000054076240 348879400 /nfs/dbraw/zinc/87/94/00/348879400.db2.gz XUPQBDLASYAOEL-VIFPVBQESA-N 0 3 202.298 0.526 20 0 BCADHN CNC(=O)c1cccc(NC(=O)[C@H](C)NC)c1C ZINC000054074389 348889410 /nfs/dbraw/zinc/88/94/10/348889410.db2.gz NLHSKZJKFUCNAB-VIFPVBQESA-N 0 3 249.314 0.901 20 0 BCADHN C[C@H]1CCN(CCNCc2cnnn2C)C1 ZINC000309661125 490202254 /nfs/dbraw/zinc/20/22/54/490202254.db2.gz AWMDWYATHZTBFH-JTQLQIEISA-N 0 3 223.324 0.247 20 0 BCADHN CCCN1CC[C@@H](NC(=O)CSC)C1 ZINC000598342804 348933806 /nfs/dbraw/zinc/93/38/06/348933806.db2.gz NCQAWXPBLUZEOF-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000567825441 349041100 /nfs/dbraw/zinc/04/11/00/349041100.db2.gz NSFTZDKQHAOBIV-DCAQKATOSA-N 0 3 226.320 0.798 20 0 BCADHN COC(=O)CCNC(=O)CCNCC1(F)CC1 ZINC000599005275 349074789 /nfs/dbraw/zinc/07/47/89/349074789.db2.gz ROCKVJQMTULEJF-UHFFFAOYSA-N 0 3 246.282 0.148 20 0 BCADHN Cc1cc(CNC[C@](C)(O)CO)ccn1 ZINC000623511949 362937837 /nfs/dbraw/zinc/93/78/37/362937837.db2.gz NAFKIUODQKHCQV-NSHDSACASA-N 0 3 210.277 0.223 20 0 BCADHN CCOCCN(CC)C[C@H]1CNCCO1 ZINC000070621449 490226259 /nfs/dbraw/zinc/22/62/59/490226259.db2.gz LHZIJPUOSYIWIS-LLVKDONJSA-N 0 3 216.325 0.333 20 0 BCADHN CC(C)N(C)C(=O)CN[C@@H](C)[C@@H](C)CO ZINC000228721631 350002537 /nfs/dbraw/zinc/00/25/37/350002537.db2.gz ZQOGQDCEVHRGHH-UWVGGRQHSA-N 0 3 216.325 0.460 20 0 BCADHN COC(=O)CCCCN(CC(N)=O)C(C)C ZINC000599256669 349132577 /nfs/dbraw/zinc/13/25/77/349132577.db2.gz CBJUPMIOPMQTPI-UHFFFAOYSA-N 0 3 230.308 0.525 20 0 BCADHN COC(=O)CCCCN(C)CC(=O)NC1CC1 ZINC000599260578 349133705 /nfs/dbraw/zinc/13/37/05/349133705.db2.gz BSVFUFVUDMDLFI-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN COCCCN(C)CCNC(=O)[C@@H]1CC12CC2 ZINC000421777193 192385218 /nfs/dbraw/zinc/38/52/18/192385218.db2.gz XQUVHPXLMPIFOA-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN CC[C@H](C)N1CCN([C@H](C)C(=O)OC)CC1 ZINC000055067903 349183313 /nfs/dbraw/zinc/18/33/13/349183313.db2.gz IYJLIYJTMHXFRT-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@@H](C)N1CCN([C@H](C)C(=O)OC)CC1 ZINC000055067901 349183644 /nfs/dbraw/zinc/18/36/44/349183644.db2.gz IYJLIYJTMHXFRT-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@H](C(N)=O)N1CCS[C@@H](C)CC1 ZINC000249057930 349153952 /nfs/dbraw/zinc/15/39/52/349153952.db2.gz OVRMZGXHTPVURU-JGVFFNPUSA-N 0 3 202.323 0.688 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCC[C@]1(C)CO ZINC000599364512 349160599 /nfs/dbraw/zinc/16/05/99/349160599.db2.gz LABGPCOOTKOOGG-CMPLNLGQSA-N 0 3 245.319 0.147 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CC[C@@](O)(CC)C1 ZINC000599377095 349162162 /nfs/dbraw/zinc/16/21/62/349162162.db2.gz HLJQSXCNHDXMHU-PWSUYJOCSA-N 0 3 245.319 0.147 20 0 BCADHN CC[C@@H](O)CN1CCN(C[C@H](C)O)C[C@H]1C ZINC000249214765 349162388 /nfs/dbraw/zinc/16/23/88/349162388.db2.gz DLLPYSNWHZOEOK-GRYCIOLGSA-N 0 3 230.352 0.144 20 0 BCADHN COC(=O)CN1CCN(C[C@H]2C[C@H]2C)CC1 ZINC000599380153 349163257 /nfs/dbraw/zinc/16/32/57/349163257.db2.gz CIPZEVJGYQJZPV-GHMZBOCLSA-N 0 3 226.320 0.433 20 0 BCADHN CCN(C[C@H]1CCOC1)C(=O)[C@H]1CCCN1C ZINC000599401940 349172358 /nfs/dbraw/zinc/17/23/58/349172358.db2.gz JYYSBIWOFDPFRG-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CCOC(=O)C[C@@H](O)CN[C@@H]1CCC[C@H]1OC ZINC000599432884 349173131 /nfs/dbraw/zinc/17/31/31/349173131.db2.gz HFSCBYAMSPSQKF-GMTAPVOTSA-N 0 3 245.319 0.458 20 0 BCADHN NC(=O)NC(=O)CCN1CCCC(F)(F)CC1 ZINC000599551255 349215400 /nfs/dbraw/zinc/21/54/00/349215400.db2.gz JYFVHJGNEGJDQF-UHFFFAOYSA-N 0 3 249.261 0.693 20 0 BCADHN COC(=O)[C@]1(OC)CCN(CC[C@H](C)O)C1 ZINC000599559941 349218127 /nfs/dbraw/zinc/21/81/27/349218127.db2.gz ZBLHCZBGQPSSKA-ONGXEEELSA-N 0 3 231.292 0.021 20 0 BCADHN COC(=O)[C@]1(OC)CCN(CC[C@@H](C)O)C1 ZINC000599559939 349218269 /nfs/dbraw/zinc/21/82/69/349218269.db2.gz ZBLHCZBGQPSSKA-KOLCDFICSA-N 0 3 231.292 0.021 20 0 BCADHN COC(=O)[C@]1(OC)CCN(CCCF)C1 ZINC000599563151 349218738 /nfs/dbraw/zinc/21/87/38/349218738.db2.gz ABKBCPRSWHPTAR-JTQLQIEISA-N 0 3 219.256 0.610 20 0 BCADHN COC(=O)[C@]1(OC)CCN([C@H]2CCCOC2)C1 ZINC000599565306 349220145 /nfs/dbraw/zinc/22/01/45/349220145.db2.gz PWIBCUQXRQCHRA-JQWIXIFHSA-N 0 3 243.303 0.429 20 0 BCADHN COC(=O)[C@@](C)(O)CN(C1CC1)C1CC1 ZINC000599597855 349223795 /nfs/dbraw/zinc/22/37/95/349223795.db2.gz APVTZRHRUUGDAG-NSHDSACASA-N 0 3 213.277 0.537 20 0 BCADHN COC(=O)CCCCN1CCC(O)(CO)CC1 ZINC000599470954 349194554 /nfs/dbraw/zinc/19/45/54/349194554.db2.gz WCSNVKWZRYAUSS-UHFFFAOYSA-N 0 3 245.319 0.149 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C[C@H](C)O)C1CC1 ZINC000599454926 349200298 /nfs/dbraw/zinc/20/02/98/349200298.db2.gz YMHQXJPLFQPIQJ-ONGXEEELSA-N 0 3 245.319 0.146 20 0 BCADHN CC[C@@H](C)N1CCN(C[C@H](C)O)CC1 ZINC000055068863 349201979 /nfs/dbraw/zinc/20/19/79/349201979.db2.gz PNHHASCCQUZDMC-MNOVXSKESA-N 0 3 200.326 0.783 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)NC)C1(C)C ZINC000082922885 349202774 /nfs/dbraw/zinc/20/27/74/349202774.db2.gz UTXCWEVWKPTIAI-LPEHRKFASA-N 0 3 228.336 0.914 20 0 BCADHN CCC(O)(CC)CN(C)[C@@H](C)C(=O)NC(N)=O ZINC000599673620 349241087 /nfs/dbraw/zinc/24/10/87/349241087.db2.gz RSCJSYILIRIFTO-QMMMGPOBSA-N 0 3 245.323 0.053 20 0 BCADHN Cc1n[nH]c(C)c1CN[C@@H]1CCC(=O)N(C)C1 ZINC000084062408 179824668 /nfs/dbraw/zinc/82/46/68/179824668.db2.gz VPWSOMMBPFQDIT-SNVBAGLBSA-N 0 3 236.319 0.737 20 0 BCADHN C/C=C/C[C@@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC000599692398 349246860 /nfs/dbraw/zinc/24/68/60/349246860.db2.gz WBTGQATZMULPCR-VMZHVLLKSA-N 0 3 239.319 0.860 20 0 BCADHN CC(C)N1CCC[C@H](N2CCNC2=O)C1 ZINC000204696329 349278422 /nfs/dbraw/zinc/27/84/22/349278422.db2.gz WNWSVUVXWDANSF-JTQLQIEISA-N 0 3 211.309 0.884 20 0 BCADHN CCOC(=O)COCCN1CCC(C)(O)CC1 ZINC000160660464 349284561 /nfs/dbraw/zinc/28/45/61/349284561.db2.gz JKCXTQSVHCZZHT-UHFFFAOYSA-N 0 3 245.319 0.413 20 0 BCADHN CN(C)CC(C)(C)NC(=O)CN1CC(C)(C)C1 ZINC000655141028 490257574 /nfs/dbraw/zinc/25/75/74/490257574.db2.gz JLTHIZLQTWYMGP-UHFFFAOYSA-N 0 3 241.379 0.785 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)Nc1cccnc1 ZINC000623057744 349341940 /nfs/dbraw/zinc/34/19/40/349341940.db2.gz FVHJJAGXNGDACH-JTQLQIEISA-N 0 3 236.275 0.192 20 0 BCADHN CN(C)C(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082944019 349345451 /nfs/dbraw/zinc/34/54/51/349345451.db2.gz RRJBWTLDELSRCN-GDPRMGEGSA-N 0 3 226.320 0.478 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N(CC)CCCO ZINC000160730705 349314685 /nfs/dbraw/zinc/31/46/85/349314685.db2.gz TYLLQAZHBAUZRH-NSHDSACASA-N 0 3 230.352 0.948 20 0 BCADHN COC[C@H](O)CN1CCC[C@@H](n2ccnc2)C1 ZINC000601835846 349362800 /nfs/dbraw/zinc/36/28/00/349362800.db2.gz DTKSFXHTVPCBBZ-VXGBXAGGSA-N 0 3 239.319 0.527 20 0 BCADHN COC(=O)c1c(C)nn(CCN(C)C)c1C ZINC000601932388 349385316 /nfs/dbraw/zinc/38/53/16/349385316.db2.gz JUQTWYSGHCPABR-UHFFFAOYSA-N 0 3 225.292 0.848 20 0 BCADHN COC(=O)c1ccc(CNC[C@H](C)CO)n1C ZINC000602009873 349422428 /nfs/dbraw/zinc/42/24/28/349422428.db2.gz YJAYWUSDUONSNT-VIFPVBQESA-N 0 3 240.303 0.530 20 0 BCADHN Cc1nnc(C(=O)NC[C@@H]2C[C@H](F)CN2)s1 ZINC000623062324 349426856 /nfs/dbraw/zinc/42/68/56/349426856.db2.gz OTJPWMAJXPDXQP-BQBZGAKWSA-N 0 3 244.295 0.276 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H](C)[C@@H]1CCCO1 ZINC000081899235 190994956 /nfs/dbraw/zinc/99/49/56/190994956.db2.gz WAMWBFRKBQTUNS-BBBLOLIVSA-N 0 3 235.349 0.577 20 0 BCADHN CCN1CCCN(c2cc(C#N)cnn2)CC1 ZINC000396951252 350008843 /nfs/dbraw/zinc/00/88/43/350008843.db2.gz QLMSGIMDYQWLPK-UHFFFAOYSA-N 0 3 231.303 0.880 20 0 BCADHN C[C@@H]1CN(c2cc(C#N)cnn2)C[C@H](C)N1 ZINC000396983589 350023894 /nfs/dbraw/zinc/02/38/94/350023894.db2.gz LBHGUUVENMPGRF-DTORHVGOSA-N 0 3 217.276 0.535 20 0 BCADHN CNS(=O)(=O)CCN(CC(C)C)C(C)C ZINC000621247427 350030519 /nfs/dbraw/zinc/03/05/19/350030519.db2.gz ULFXQPREEILYAE-UHFFFAOYSA-N 0 3 236.381 0.902 20 0 BCADHN C[C@H](N)C(=O)N1CCc2ccccc2CC1 ZINC000070620776 350030530 /nfs/dbraw/zinc/03/05/30/350030530.db2.gz LSCDFMVLTXOFCE-JTQLQIEISA-N 0 3 218.300 0.961 20 0 BCADHN COC(=O)c1ccc(CNCC(C)(C)O)n1C ZINC000602005357 349416349 /nfs/dbraw/zinc/41/63/49/349416349.db2.gz HIVATRQTUJRXFR-UHFFFAOYSA-N 0 3 240.303 0.672 20 0 BCADHN CC[C@H](CO)NCc1ccc(C(=O)OC)n1C ZINC000601997974 349416426 /nfs/dbraw/zinc/41/64/26/349416426.db2.gz OGULQEWUFXXUCH-SECBINFHSA-N 0 3 240.303 0.672 20 0 BCADHN CSCCCC(=O)NC[C@@H]1CNCCO1 ZINC000402088414 349420623 /nfs/dbraw/zinc/42/06/23/349420623.db2.gz RBMWYQNLUYXZEH-VIFPVBQESA-N 0 3 232.349 0.234 20 0 BCADHN CC(=O)c1csc(NC(=O)[C@@H]2C[C@@H]2N)n1 ZINC000070884773 350073371 /nfs/dbraw/zinc/07/33/71/350073371.db2.gz WSELFMFCQKIMLO-RITPCOANSA-N 0 3 225.273 0.631 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCCC[C@@H]1O ZINC000129779414 191009136 /nfs/dbraw/zinc/00/91/36/191009136.db2.gz QZJPONOJDAZIEI-ONGXEEELSA-N 0 3 224.308 0.456 20 0 BCADHN CN(C[C@@H]1CCCN1C)c1ccc(C#N)nn1 ZINC000397053381 350066276 /nfs/dbraw/zinc/06/62/76/350066276.db2.gz VODLHCOBDQMQAY-NSHDSACASA-N 0 3 231.303 0.879 20 0 BCADHN CSCCC(=O)N[C@H]1CCCN(C)C1 ZINC000604199749 350087491 /nfs/dbraw/zinc/08/74/91/350087491.db2.gz UPLKLSALXBSAEU-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN Cc1[nH]c(=O)ccc1C(=O)N[C@H](C)CN(C)C ZINC000346229303 180027160 /nfs/dbraw/zinc/02/71/60/180027160.db2.gz SHTPKQBVHAYLHG-MRVPVSSYSA-N 0 3 237.303 0.776 20 0 BCADHN CS(=O)(=O)[C@@H]1CCC[C@@H](NC/C=C\CO)C1 ZINC000668490370 490319835 /nfs/dbraw/zinc/31/98/35/490319835.db2.gz VLZRZYWVVDFUHM-LVUHIJSRSA-N 0 3 247.360 0.480 20 0 BCADHN Cc1nnc([C@H]2CCCN(C(=O)[C@H](C)N)C2)[nH]1 ZINC000353209084 180054089 /nfs/dbraw/zinc/05/40/89/180054089.db2.gz VNVDVFDFBAWBBF-CBAPKCEASA-N 0 3 237.307 0.166 20 0 BCADHN Cc1nnc([C@H]2CCCN([C@@H]3CCNC3=O)C2)[nH]1 ZINC000269259811 180054418 /nfs/dbraw/zinc/05/44/18/180054418.db2.gz CWDZWUHTFCVJBW-VHSXEESVSA-N 0 3 249.318 0.181 20 0 BCADHN CC(C)NC(=O)[C@@H](C)N[C@H]1CCCNC(=O)C1 ZINC000229001435 490318540 /nfs/dbraw/zinc/31/85/40/490318540.db2.gz XQUJEQSYTZPPMY-ZJUUUORDSA-N 0 3 241.335 0.158 20 0 BCADHN COCCCCCN[C@@H](C)CS(C)(=O)=O ZINC000132138728 191024847 /nfs/dbraw/zinc/02/48/47/191024847.db2.gz CKZRPKCYOMTMEL-JTQLQIEISA-N 0 3 237.365 0.826 20 0 BCADHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCCO ZINC000132077089 191025387 /nfs/dbraw/zinc/02/53/87/191025387.db2.gz IIDFVVXFPJRCAK-VHSXEESVSA-N 0 3 235.349 0.314 20 0 BCADHN C[C@H](CCO)N[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000132249042 191028759 /nfs/dbraw/zinc/02/87/59/191028759.db2.gz SZLKEQKIRFLYLC-OUAUKWLOSA-N 0 3 249.376 0.703 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NCCC(C)(C)C ZINC000668505713 490340480 /nfs/dbraw/zinc/34/04/80/490340480.db2.gz CPAJYNGDDPSCDO-NXEZZACHSA-N 0 3 249.376 0.824 20 0 BCADHN CCOC(=O)CCCN[C@@](C)(CC)C(N)=O ZINC000133227388 191038776 /nfs/dbraw/zinc/03/87/76/191038776.db2.gz HELDHCMPBWFCJD-NSHDSACASA-N 0 3 230.308 0.573 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1ccncn1 ZINC000427065764 191053211 /nfs/dbraw/zinc/05/32/11/191053211.db2.gz ANFPNXGXFLIRPB-UHFFFAOYSA-N 0 3 234.303 0.644 20 0 BCADHN Cc1ncc(CN(C)C(=O)[C@@H](C)N)s1 ZINC000037816160 180138628 /nfs/dbraw/zinc/13/86/28/180138628.db2.gz GEDXPPXLWFXWKH-ZCFIWIBFSA-N 0 3 213.306 0.757 20 0 BCADHN CCNC(=O)CN(CC)[C@H](C)CCOC ZINC000343277048 538065760 /nfs/dbraw/zinc/06/57/60/538065760.db2.gz RLKBLGIRPIRBLE-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000335661462 180119465 /nfs/dbraw/zinc/11/94/65/180119465.db2.gz DXJXCEWYRRJPSK-WPRPVWTQSA-N 0 3 236.319 0.722 20 0 BCADHN Cc1ncc(C(=O)N(C)[C@@H]2CN3CCC2CC3)[nH]1 ZINC000328788195 180125266 /nfs/dbraw/zinc/12/52/66/180125266.db2.gz PHGVZLCXRZEJKR-GFCCVEGCSA-N 0 3 248.330 0.884 20 0 BCADHN CC[C@@H](C(=O)N1CCCOCC1)N(C)C ZINC000334342645 538066455 /nfs/dbraw/zinc/06/64/55/538066455.db2.gz KYPWYVBJSZZAQW-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN Cc1nc(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)c[nH]1 ZINC000362255389 180126573 /nfs/dbraw/zinc/12/65/73/180126573.db2.gz GZYFGKVXFJCEBU-ZYHUDNBSSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1ncc(C(=O)N2C[C@@H](C)NC[C@@H]2C)c(C)n1 ZINC000356918530 180127478 /nfs/dbraw/zinc/12/74/78/180127478.db2.gz LXCBKFUBXVVZMI-BDAKNGLRSA-N 0 3 248.330 0.916 20 0 BCADHN Cc1ncc(CN[C@@H](C)CN2CCCC2=O)cn1 ZINC000339211292 180154040 /nfs/dbraw/zinc/15/40/40/180154040.db2.gz XXMLXJQPUCAWFI-JTQLQIEISA-N 0 3 248.330 0.886 20 0 BCADHN CC(C)N1CC[C@@H](N[C@H](C)[C@H](C)CO)C1=O ZINC000309633386 191064166 /nfs/dbraw/zinc/06/41/66/191064166.db2.gz RQXQTEKFKIUJDZ-GMTAPVOTSA-N 0 3 228.336 0.602 20 0 BCADHN COc1ccccc1CNC[C@@H](O)CO ZINC000041582238 191065286 /nfs/dbraw/zinc/06/52/86/191065286.db2.gz VEILBODSZJOJDX-SNVBAGLBSA-N 0 3 211.261 0.138 20 0 BCADHN Cc1ncc(NC(=O)[C@@H](N)CC(F)F)cn1 ZINC000345690219 180168301 /nfs/dbraw/zinc/16/83/01/180168301.db2.gz KIURHRAGLCPCAD-ZETCQYMHSA-N 0 3 230.218 0.706 20 0 BCADHN Cc1ncc(CN2CC[C@@H](C)[C@H]2CO)cn1 ZINC000352423629 180145543 /nfs/dbraw/zinc/14/55/43/180145543.db2.gz YNBPUEUIWURCFQ-BXKDBHETSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1ncc(CNC2CCC(C(N)=O)CC2)cn1 ZINC000340460263 180149251 /nfs/dbraw/zinc/14/92/51/180149251.db2.gz KKIJBLAWDQGAQA-UHFFFAOYSA-N 0 3 248.330 0.919 20 0 BCADHN Cc1ncc(CNC(=O)[C@@H]2C[C@@H]2N)s1 ZINC000050464575 180150535 /nfs/dbraw/zinc/15/05/35/180150535.db2.gz AFJARVPAJUZDDQ-SFYZADRCSA-N 0 3 211.290 0.415 20 0 BCADHN C[C@H](NCc1cnc(N(C)C)nc1)C(C)(C)O ZINC000604764955 350185631 /nfs/dbraw/zinc/18/56/31/350185631.db2.gz JHAWZLBMTPHXKI-VIFPVBQESA-N 0 3 238.335 0.792 20 0 BCADHN CO[C@@H]1CC[C@H](NC(=O)[C@H](N)CC(F)F)C1 ZINC000309205989 350191375 /nfs/dbraw/zinc/19/13/75/350191375.db2.gz PYSZSRBHAAYVIH-XLPZGREQSA-N 0 3 236.262 0.653 20 0 BCADHN Cc1ncc(CNC[C@@H]2CCOC2)cn1 ZINC000309098131 180151945 /nfs/dbraw/zinc/15/19/45/180151945.db2.gz FQVITMXDBRIDOE-JTQLQIEISA-N 0 3 207.277 0.911 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000637147149 350219927 /nfs/dbraw/zinc/21/99/27/350219927.db2.gz FBTSBWJCZJQPTO-GARJFASQSA-N 0 3 241.335 0.224 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1C[C@@H](CO)C1 ZINC000637147728 350219982 /nfs/dbraw/zinc/21/99/82/350219982.db2.gz YHCWLMHUXLDLAJ-LPEHRKFASA-N 0 3 229.324 0.007 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC(C)(C)C(C)(C)O ZINC000637147107 350220299 /nfs/dbraw/zinc/22/02/99/350220299.db2.gz CPNOMBIMEPAITD-VIFPVBQESA-N 0 3 245.367 0.785 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)Cc1ncc[nH]1 ZINC000637147679 350220325 /nfs/dbraw/zinc/22/03/25/350220325.db2.gz WSXUSGABFGZHCE-VIFPVBQESA-N 0 3 239.323 0.501 20 0 BCADHN Cc1nccn1-c1ncccc1NC(=O)CN ZINC000037765497 180229808 /nfs/dbraw/zinc/22/98/08/180229808.db2.gz LHNAOMLGODTMOB-UHFFFAOYSA-N 0 3 231.259 0.473 20 0 BCADHN Cc1nccn1CCCN(C)C(=O)C1(N)CC1 ZINC000353769437 180234614 /nfs/dbraw/zinc/23/46/14/180234614.db2.gz RFIWZBPLIJRWKG-UHFFFAOYSA-N 0 3 236.319 0.531 20 0 BCADHN Cc1nccn1CCCN(C)[C@H]1CCNC1=O ZINC000179304794 180235260 /nfs/dbraw/zinc/23/52/60/180235260.db2.gz BFIUUSKLLUTMFD-NSHDSACASA-N 0 3 236.319 0.402 20 0 BCADHN C[C@@H]1[C@H](NC(=O)C(C)(C)O)CCCN1C ZINC000427711931 191089229 /nfs/dbraw/zinc/08/92/29/191089229.db2.gz UYMJZPZJSQQYNV-RKDXNWHRSA-N 0 3 214.309 0.356 20 0 BCADHN COC(=O)Cc1csc(NC(=O)[C@@H](C)N)n1 ZINC000309258586 350243287 /nfs/dbraw/zinc/24/32/87/350243287.db2.gz HENWQADLMFHMKV-RXMQYKEDSA-N 0 3 243.288 0.144 20 0 BCADHN Cc1nccn1CCN(C)[C@H](C)C[S@](C)=O ZINC000274463166 180251646 /nfs/dbraw/zinc/25/16/46/180251646.db2.gz MUAUPHKHXVHBQW-HWPZZCPQSA-N 0 3 243.376 0.890 20 0 BCADHN Cc1nccn1CCNC(=O)[C@@H](N)C(C)C ZINC000261590011 180257899 /nfs/dbraw/zinc/25/78/99/180257899.db2.gz UHRIAZOOFNSLBO-JTQLQIEISA-N 0 3 224.308 0.291 20 0 BCADHN Cc1ccnc(N2CCCN(C)CC2)n1 ZINC000222762346 350251501 /nfs/dbraw/zinc/25/15/01/350251501.db2.gz DRPBDDHTSLGBOE-UHFFFAOYSA-N 0 3 206.293 0.927 20 0 BCADHN Cc1nccn1CCCN1CCO[C@@H](CO)C1 ZINC000270571072 180241274 /nfs/dbraw/zinc/24/12/74/180241274.db2.gz ASCDSVTTYFOULG-GFCCVEGCSA-N 0 3 239.319 0.275 20 0 BCADHN Cc1nccn1CCCNC(=O)C(C)(C)N ZINC000261582329 180243290 /nfs/dbraw/zinc/24/32/90/180243290.db2.gz OESDWQOTKBYBFW-UHFFFAOYSA-N 0 3 224.308 0.435 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)COCC1CC1 ZINC000427731205 191090557 /nfs/dbraw/zinc/09/05/57/191090557.db2.gz MDYHIAARRYZORM-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(CC(=O)NCCN1CCC1)C1CC1 ZINC000344737529 538085268 /nfs/dbraw/zinc/08/52/68/538085268.db2.gz NRCMXUYYWHXVBC-UHFFFAOYSA-N 0 3 225.336 0.293 20 0 BCADHN Cc1nccn1C[C@H](C)CNC(=O)C(C)(C)N ZINC000237375888 180264526 /nfs/dbraw/zinc/26/45/26/180264526.db2.gz RZPSLPCMFRTBPW-SECBINFHSA-N 0 3 238.335 0.681 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1CN(C)C ZINC000427717802 191089847 /nfs/dbraw/zinc/08/98/47/191089847.db2.gz IYRXHSQLWFWRSA-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NC[C@H]1CCCOC1 ZINC000038046155 350303659 /nfs/dbraw/zinc/30/36/59/350303659.db2.gz PDDSKFNDOSDMHV-GHMZBOCLSA-N 0 3 228.336 0.903 20 0 BCADHN COC[C@H](C)NC(=O)[C@H](N)CC(C)C ZINC000019436837 350305679 /nfs/dbraw/zinc/30/56/79/350305679.db2.gz SXRGJKGTVAVGCO-DTWKUNHWSA-N 0 3 202.298 0.511 20 0 BCADHN Cc1ncncc1C(=O)N[C@@H](C)CN(C)C ZINC000287211468 180295252 /nfs/dbraw/zinc/29/52/52/180295252.db2.gz NUGYWJAKHLRQIM-QMMMGPOBSA-N 0 3 222.292 0.465 20 0 BCADHN Cc1ncncc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000356367972 180293619 /nfs/dbraw/zinc/29/36/19/180293619.db2.gz CUWLJLGLWVJBOO-IUCAKERBSA-N 0 3 234.303 0.607 20 0 BCADHN CN(C)CCCN[C@H]1CCCS(=O)(=O)C1 ZINC000068939463 350312725 /nfs/dbraw/zinc/31/27/25/350312725.db2.gz LHAVGVWBSPGNLN-JTQLQIEISA-N 0 3 234.365 0.105 20 0 BCADHN CC(C)C[C@H](CO)N[C@H]1CCCS(=O)(=O)C1 ZINC000068940125 350313771 /nfs/dbraw/zinc/31/37/71/350313771.db2.gz ZHCOFWALHKOZDI-WDEREUQCSA-N 0 3 249.376 0.560 20 0 BCADHN CC(C)C[C@@H](CO)N[C@H]1CCCS(=O)(=O)C1 ZINC000068940123 350314036 /nfs/dbraw/zinc/31/40/36/350314036.db2.gz ZHCOFWALHKOZDI-QWRGUYRKSA-N 0 3 249.376 0.560 20 0 BCADHN CN1CCCC[C@H]1C(=O)NCCN1CCCC1 ZINC000606346310 350315645 /nfs/dbraw/zinc/31/56/45/350315645.db2.gz UGAVXTXXKJTSSF-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN CCOCCN(CC)C[C@H](O)COCC ZINC000068951336 350316314 /nfs/dbraw/zinc/31/63/14/350316314.db2.gz OFXDVQDOCYMUIH-NSHDSACASA-N 0 3 219.325 0.742 20 0 BCADHN CN(C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000050460386 350342514 /nfs/dbraw/zinc/34/25/14/350342514.db2.gz GRHUXLKRXZPXBH-MNOVXSKESA-N 0 3 247.298 0.674 20 0 BCADHN CC[C@@H]1CO[C@H](C)CN1C(=O)[C@@H]1C[C@@H]1N ZINC000050458923 350342854 /nfs/dbraw/zinc/34/28/54/350342854.db2.gz OPKONCCEUPZUET-KYXWUPHJSA-N 0 3 212.293 0.360 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1nc2c(s1)CCC2 ZINC000050465031 350343627 /nfs/dbraw/zinc/34/36/27/350343627.db2.gz FCNUEYCECWXKHL-NTSWFWBYSA-N 0 3 223.301 0.918 20 0 BCADHN Cc1ncncc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000408226129 180296438 /nfs/dbraw/zinc/29/64/38/180296438.db2.gz LZDSKBHVVPWAOS-KOLCDFICSA-N 0 3 248.330 0.998 20 0 BCADHN Cc1ncoc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000162374574 180298660 /nfs/dbraw/zinc/29/86/60/180298660.db2.gz AYHBOQKERWNUPO-HTQZYQBOSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1ncoc1C(=O)N[C@H](C)CN(C)C ZINC000346185442 180300678 /nfs/dbraw/zinc/30/06/78/180300678.db2.gz DLSZEQGTCZAYOJ-SSDOTTSWSA-N 0 3 211.265 0.663 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000606536023 350358197 /nfs/dbraw/zinc/35/81/97/350358197.db2.gz HAJGBPCSQODIFD-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN COC(=O)CCCN(C)C(=O)[C@@H](N)C(C)(C)C ZINC000040467910 350365980 /nfs/dbraw/zinc/36/59/80/350365980.db2.gz URMAMMXEEDCCAJ-SNVBAGLBSA-N 0 3 244.335 0.771 20 0 BCADHN Cc1ncsc1CCN(CCO)C[C@@H](C)O ZINC000290005328 180306481 /nfs/dbraw/zinc/30/64/81/180306481.db2.gz ZIRLKSJSBOCDGR-SECBINFHSA-N 0 3 244.360 0.669 20 0 BCADHN Cc1ncsc1CCN(CCO)CCCO ZINC000265644682 180306884 /nfs/dbraw/zinc/30/68/84/180306884.db2.gz LHLMOKJNSZHZAY-UHFFFAOYSA-N 0 3 244.360 0.671 20 0 BCADHN CN(C(=O)c1cc[nH]c(=O)c1)[C@@H]1CCCN(C)C1 ZINC000130708636 191096003 /nfs/dbraw/zinc/09/60/03/191096003.db2.gz UOJVXSKVRYEATD-LLVKDONJSA-N 0 3 249.314 0.541 20 0 BCADHN Cc1ncsc1CN1CC[C@H](C(N)=O)C1 ZINC000157203942 180319045 /nfs/dbraw/zinc/31/90/45/180319045.db2.gz PSCPZCSKGRSWGR-QMMMGPOBSA-N 0 3 225.317 0.759 20 0 BCADHN CCOC[C@@H](O)CN1CCSC[C@@H]1C ZINC000069761323 350397993 /nfs/dbraw/zinc/39/79/93/350397993.db2.gz LUUYZJFRQKSZLW-UWVGGRQHSA-N 0 3 219.350 0.821 20 0 BCADHN Cc1ncsc1CNC[C@@]1(O)CCOC1 ZINC000126201671 180321047 /nfs/dbraw/zinc/32/10/47/180321047.db2.gz GKIZHKMKFFIDAR-JTQLQIEISA-N 0 3 228.317 0.693 20 0 BCADHN Cc1ncsc1CNCCCS(C)(=O)=O ZINC000084149301 180321122 /nfs/dbraw/zinc/32/11/22/180321122.db2.gz WNHURRMSSZYTMI-UHFFFAOYSA-N 0 3 248.373 0.976 20 0 BCADHN CCN(CC)CC(=O)NCC[C@H](COC)OC ZINC000617232816 350401029 /nfs/dbraw/zinc/40/10/29/350401029.db2.gz IQGRWSRIAJSWJF-LLVKDONJSA-N 0 3 246.351 0.496 20 0 BCADHN COC[C@@H](CCNC(=O)CN(C)C(C)C)OC ZINC000617233336 350403370 /nfs/dbraw/zinc/40/33/70/350403370.db2.gz SVKCRVGMGIGGJO-LLVKDONJSA-N 0 3 246.351 0.494 20 0 BCADHN CC(C)CN1CCC(CS(N)(=O)=O)CC1 ZINC000336645589 350414126 /nfs/dbraw/zinc/41/41/26/350414126.db2.gz IHBNSRAPMYSRCL-UHFFFAOYSA-N 0 3 234.365 0.643 20 0 BCADHN Cc1cc(CN(C)C[C@H]2CNCCO2)no1 ZINC000126875346 490523428 /nfs/dbraw/zinc/52/34/28/490523428.db2.gz HLLXFRBCSRNBRF-LLVKDONJSA-N 0 3 225.292 0.403 20 0 BCADHN CC(C)C[C@H](N)C(=O)NC[C@H](O)C(F)(F)F ZINC000226320475 350418642 /nfs/dbraw/zinc/41/86/42/350418642.db2.gz UZHONXNVVRPIQW-BQBZGAKWSA-N 0 3 242.241 0.399 20 0 BCADHN Cc1nn(C)c(C)c1CNCCN1CCC1 ZINC000309714814 180339394 /nfs/dbraw/zinc/33/93/94/180339394.db2.gz SJDDDFUKGQLBLX-UHFFFAOYSA-N 0 3 222.336 0.832 20 0 BCADHN CN(C)CCNC(=O)NCC[C@H]1CCCOC1 ZINC000637318037 350446275 /nfs/dbraw/zinc/44/62/75/350446275.db2.gz GXYCCXOEBCSUSW-LLVKDONJSA-N 0 3 243.351 0.664 20 0 BCADHN Cc1nn(C)c2ncc(NC(=O)[C@@H](C)N)cc12 ZINC000037033306 180365140 /nfs/dbraw/zinc/36/51/40/180365140.db2.gz FOQLCSIKXMSPIW-ZCFIWIBFSA-N 0 3 233.275 0.562 20 0 BCADHN O[C@@H]1CN(C[C@@H]2CCOc3ccccc32)C[C@@H]1O ZINC000162901575 350460616 /nfs/dbraw/zinc/46/06/16/350460616.db2.gz GRQJTYCDTYDYFT-WCFLWFBJSA-N 0 3 249.310 0.590 20 0 BCADHN Cc1nn(C)cc1CN[C@H]1CCC(=O)NC1 ZINC000126029753 180374579 /nfs/dbraw/zinc/37/45/79/180374579.db2.gz CAHKVOIAYMWKDP-JTQLQIEISA-N 0 3 222.292 0.097 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC[C@@]1(O)CCOC1 ZINC000181726961 180378646 /nfs/dbraw/zinc/37/86/46/180378646.db2.gz CSSXJCQPTACQSU-SKDRFNHKSA-N 0 3 239.319 0.531 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)N[C@H](C)CC(N)=O ZINC000129353421 180379031 /nfs/dbraw/zinc/37/90/31/180379031.db2.gz OIXZYNRQHWTNLS-HTQZYQBOSA-N 0 3 224.308 0.643 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NCCOCCO ZINC000083569416 180379211 /nfs/dbraw/zinc/37/92/11/180379211.db2.gz NCYQSRYACFMVNE-SECBINFHSA-N 0 3 227.308 0.388 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NCCOCCO ZINC000083569417 180380534 /nfs/dbraw/zinc/38/05/34/180380534.db2.gz NCYQSRYACFMVNE-VIFPVBQESA-N 0 3 227.308 0.388 20 0 BCADHN Cc1nn(C)cc1[C@H](C)NC(=O)C(C)(C)N ZINC000083905666 180380932 /nfs/dbraw/zinc/38/09/32/180380932.db2.gz VPUWLRMBZOIZTP-ZETCQYMHSA-N 0 3 224.308 0.643 20 0 BCADHN CC(=O)N1CC[C@H](NC(=O)[C@H](N)CC(C)C)C1 ZINC000163165227 350508496 /nfs/dbraw/zinc/50/84/96/350508496.db2.gz FLRXGGXJTBMFKL-WDEREUQCSA-N 0 3 241.335 0.097 20 0 BCADHN COCCCNC(=O)CN(C)C[C@H](C)COC ZINC000177074476 365963381 /nfs/dbraw/zinc/96/33/81/365963381.db2.gz LTXFDRRWDXSLTF-NSHDSACASA-N 0 3 246.351 0.353 20 0 BCADHN CN1CCC(NC(=O)N2CCCC2)CC1 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20 0 BCADHN CC(C)CC[C@H](N)C(=O)NCC(C)(C)C(N)=O ZINC000637935889 351811724 /nfs/dbraw/zinc/81/17/24/351811724.db2.gz JJKAPFJVTBRKCU-VIFPVBQESA-N 0 3 243.351 0.378 20 0 BCADHN CC[C@@H](C)CN(C)Cc1cnc(N)nc1N ZINC000637941096 351815350 /nfs/dbraw/zinc/81/53/50/351815350.db2.gz ODQUGYKYXFGZNT-MRVPVSSYSA-N 0 3 223.324 0.780 20 0 BCADHN CCCCOCCNC(=O)[C@H](C)NCC ZINC000637940748 351815609 /nfs/dbraw/zinc/81/56/09/351815609.db2.gz HPSBSFZGVNPRPV-JTQLQIEISA-N 0 3 216.325 0.917 20 0 BCADHN CCC1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000637942976 351817859 /nfs/dbraw/zinc/81/78/59/351817859.db2.gz XDMLFMAODCZJKQ-WDEREUQCSA-N 0 3 226.320 0.751 20 0 BCADHN CCN[C@H](C)C(=O)N1CCCO[C@@H](C)C1 ZINC000637979033 351854098 /nfs/dbraw/zinc/85/40/98/351854098.db2.gz RGBDMFPRWIUBMZ-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CC1(C)CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000637976730 351854462 /nfs/dbraw/zinc/85/44/62/351854462.db2.gz HVPANWJZWNDROS-VHSXEESVSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CCS1 ZINC000637980473 351857247 /nfs/dbraw/zinc/85/72/47/351857247.db2.gz RWSWGYULYZXEHH-HRDYMLBCSA-N 0 3 230.333 0.067 20 0 BCADHN CCN[C@H](C)C(=O)NCCC(=O)NC(C)(C)C ZINC000637979963 351857441 /nfs/dbraw/zinc/85/74/41/351857441.db2.gz PNHLLUPNQGFVEY-SECBINFHSA-N 0 3 243.351 0.405 20 0 BCADHN CCN[C@@H](C)C(=O)NC1CCC(C(N)=O)CC1 ZINC000637984288 351859333 /nfs/dbraw/zinc/85/93/33/351859333.db2.gz WKQHBYAVXYBJJP-IDKOKCKLSA-N 0 3 241.335 0.145 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCCCC(F)(F)F ZINC000637985346 351860717 /nfs/dbraw/zinc/86/07/17/351860717.db2.gz DQXYUGLKFQNSQZ-RQJHMYQMSA-N 0 3 240.225 0.561 20 0 BCADHN OC[C@@H]1CCCN1Cc1c[nH]c2ncncc12 ZINC000637971331 351844116 /nfs/dbraw/zinc/84/41/16/351844116.db2.gz ZVPPJABVCGKQAH-JTQLQIEISA-N 0 3 232.287 0.866 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@@H](CC)CCO ZINC000638005527 351880949 /nfs/dbraw/zinc/88/09/49/351880949.db2.gz SEYJRAFTUGIDJF-UWVGGRQHSA-N 0 3 216.325 0.509 20 0 BCADHN C[C@H]1CS(=O)(=O)C[C@H]1NC[C@@H](O)C(C)(C)C ZINC000574983326 351862692 /nfs/dbraw/zinc/86/26/92/351862692.db2.gz CXPKQDPRDDFLBH-IVZWLZJFSA-N 0 3 249.376 0.416 20 0 BCADHN O=C1CC[C@H]2CN(CCC[C@H]3CCO3)CCN12 ZINC000637989236 351864467 /nfs/dbraw/zinc/86/44/67/351864467.db2.gz UILRHLQDORASEM-RYUDHWBXSA-N 0 3 238.331 0.862 20 0 BCADHN CCC1(CNC(=O)[C@@H]2OCC[C@@H]2N)CCC1 ZINC000637990972 351865429 /nfs/dbraw/zinc/86/54/29/351865429.db2.gz LRMVZCJLQUQDAB-VHSXEESVSA-N 0 3 226.320 0.799 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@H](O)C(CC)CC ZINC000637994113 351868407 /nfs/dbraw/zinc/86/84/07/351868407.db2.gz VTSVVNBIWDFUIU-KOLCDFICSA-N 0 3 230.352 0.898 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@@H](O)C(CC)CC ZINC000637994112 351868462 /nfs/dbraw/zinc/86/84/62/351868462.db2.gz VTSVVNBIWDFUIU-GXSJLCMTSA-N 0 3 230.352 0.898 20 0 BCADHN CC(C)[C@@H](C)S(=O)(=O)C(C)C(=O)N(C)C ZINC000078844295 535168322 /nfs/dbraw/zinc/16/83/22/535168322.db2.gz JSBKBGCYVZXYTN-BDAKNGLRSA-N 0 3 235.349 0.922 20 0 BCADHN C[C@@H]1CCCN(Cc2cnc(N)nc2N)[C@H]1C ZINC000637992762 351870646 /nfs/dbraw/zinc/87/06/46/351870646.db2.gz HYLDNBMYTZEHTB-BDAKNGLRSA-N 0 3 235.335 0.922 20 0 BCADHN CCN[C@H](C)C(=O)N1CCSC[C@H]1C ZINC000637999962 351874928 /nfs/dbraw/zinc/87/49/28/351874928.db2.gz LVGPXWYPCNYKQL-RKDXNWHRSA-N 0 3 216.350 0.948 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)Nc1ccsc1 ZINC000638002078 351878207 /nfs/dbraw/zinc/87/82/07/351878207.db2.gz BCFPKLSYYDEONM-SFYZADRCSA-N 0 3 212.274 0.803 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@@H]1CCCS1 ZINC000638005864 351879059 /nfs/dbraw/zinc/87/90/59/351879059.db2.gz ZTAASAJKLRFOSB-BDAKNGLRSA-N 0 3 216.350 0.996 20 0 BCADHN Cc1ccc(NC(=O)[C@@H]2OCC[C@@H]2N)nc1 ZINC000638047786 351924732 /nfs/dbraw/zinc/92/47/32/351924732.db2.gz MLCSDRYCUASBMZ-WCBMZHEXSA-N 0 3 221.260 0.445 20 0 BCADHN CO[C@H]1CN[C@](C)(C(=O)Nc2ccncc2)C1 ZINC000638049283 351927441 /nfs/dbraw/zinc/92/74/41/351927441.db2.gz ZBBMTGFOUMJKAR-PWSUYJOCSA-N 0 3 235.287 0.209 20 0 BCADHN Cc1csc(CNC(=O)[C@@H]2OCC[C@@H]2N)n1 ZINC000638053706 351931315 /nfs/dbraw/zinc/93/13/15/351931315.db2.gz AQJRHOCBHWPROH-IONNQARKSA-N 0 3 241.316 0.184 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)Cc1cnn(C)c1 ZINC000638059814 351933516 /nfs/dbraw/zinc/93/35/16/351933516.db2.gz XODRDADDUJPBEF-VIFPVBQESA-N 0 3 224.308 0.377 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000638009780 351888593 /nfs/dbraw/zinc/88/85/93/351888593.db2.gz NWUVKQKASKUSOT-GWOFURMSSA-N 0 3 240.347 0.914 20 0 BCADHN CCc1cnc(CNC(=O)/C=C/CN(C)C)o1 ZINC000281417458 351890898 /nfs/dbraw/zinc/89/08/98/351890898.db2.gz AVTOAZSFVOFTFT-AATRIKPKSA-N 0 3 237.303 0.971 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H](C)C1CCOCC1 ZINC000638013744 351891370 /nfs/dbraw/zinc/89/13/70/351891370.db2.gz DMZWHYAGEISECP-NXEZZACHSA-N 0 3 228.336 0.916 20 0 BCADHN CCN[C@H](C)C(=O)NCC(C)(C)C[C@H](C)O ZINC000638018795 351897732 /nfs/dbraw/zinc/89/77/32/351897732.db2.gz UJLLVJXOCFCNKQ-VHSXEESVSA-N 0 3 230.352 0.898 20 0 BCADHN CC(C)[C@H](C(=O)N1CCC(C)(O)CC1)N(C)C ZINC000336562257 187544120 /nfs/dbraw/zinc/54/41/20/187544120.db2.gz VNUXYDONVDZFAZ-LLVKDONJSA-N 0 3 242.363 0.946 20 0 BCADHN CNC(=O)CCN(C)Cc1ccc(=O)[nH]c1 ZINC000638021979 351901436 /nfs/dbraw/zinc/90/14/36/351901436.db2.gz VGYNXYASIVRLBQ-UHFFFAOYSA-N 0 3 223.276 0.355 20 0 BCADHN CO[C@H](CN)C(=O)NCCCOC1CCCC1 ZINC000353195722 351904550 /nfs/dbraw/zinc/90/45/50/351904550.db2.gz SJIODNDELPDHDK-LLVKDONJSA-N 0 3 244.335 0.426 20 0 BCADHN CO[C@]1(CN(C)[C@H]2CCOC2)CCOC1 ZINC000638029608 351910140 /nfs/dbraw/zinc/91/01/40/351910140.db2.gz YNEPLDSQZKDHFZ-QWRGUYRKSA-N 0 3 215.293 0.513 20 0 BCADHN CC[C@H](C)[C@@H](CN1CCNC(=O)CC1)OC ZINC000638028551 351910801 /nfs/dbraw/zinc/91/08/01/351910801.db2.gz GRPJYOPXSDFQGX-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@@H](OC)C(C)C ZINC000638032559 351911643 /nfs/dbraw/zinc/91/16/43/351911643.db2.gz OHRRKHSXLQPXMM-VHSXEESVSA-N 0 3 216.325 0.772 20 0 BCADHN CO[C@H](CNC(=O)[C@@H]1OCC[C@@H]1N)C(C)(C)C ZINC000638033316 351912565 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352068046 /nfs/dbraw/zinc/06/80/46/352068046.db2.gz IXJBVDOMSMTAMK-ZJUUUORDSA-N 0 3 236.319 0.400 20 0 BCADHN Cc1nccn1CC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000638205610 352068224 /nfs/dbraw/zinc/06/82/24/352068224.db2.gz IXJBVDOMSMTAMK-VHSXEESVSA-N 0 3 236.319 0.400 20 0 BCADHN C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000638207015 352068901 /nfs/dbraw/zinc/06/89/01/352068901.db2.gz NQQWTIHDDDVRGC-YUMQZZPRSA-N 0 3 236.275 0.053 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cccnn2)[C@H]1C ZINC000638207572 352069310 /nfs/dbraw/zinc/06/93/10/352069310.db2.gz PIUZWTNYQWNUNO-BDAKNGLRSA-N 0 3 220.276 0.299 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)COCC(F)F ZINC000638208553 352070435 /nfs/dbraw/zinc/07/04/35/352070435.db2.gz UMXWGIMGBMTOOP-JGVFFNPUSA-N 0 3 236.262 0.477 20 0 BCADHN [NH3+][C@H](CNC(=O)c1cc(F)c[n-]c1=O)C1CC1 ZINC000638152799 352016612 /nfs/dbraw/zinc/01/66/12/352016612.db2.gz FXPPLHQWDJQCQS-SECBINFHSA-N 0 3 239.250 0.393 20 0 BCADHN CCC[C@H]1CNCCN1C(=O)[C@@H](CC)N(C)C ZINC000638160208 352024927 /nfs/dbraw/zinc/02/49/27/352024927.db2.gz HPCCENDLZVJUFV-NWDGAFQWSA-N 0 3 241.379 0.927 20 0 BCADHN Cc1cccc(NC(=O)[C@@H]2OCC[C@@H]2N)c1O ZINC000638167193 352029209 /nfs/dbraw/zinc/02/92/09/352029209.db2.gz BYVIYUZIHFILBP-GZMMTYOYSA-N 0 3 236.271 0.755 20 0 BCADHN CC[C@](C)(CN1CCN2C(=O)NC[C@@H]2C1)OC ZINC000638165006 352029586 /nfs/dbraw/zinc/02/95/86/352029586.db2.gz NNDRWQALXQRCIY-ZYHUDNBSSA-N 0 3 241.335 0.511 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](COC)C1CC1 ZINC000638169978 352034052 /nfs/dbraw/zinc/03/40/52/352034052.db2.gz GIEJZGVKVWIALV-WPRPVWTQSA-N 0 3 214.309 0.526 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)NCC[C@@H]1CCCCO1 ZINC000638283499 352119463 /nfs/dbraw/zinc/11/94/63/352119463.db2.gz MPDIGFDKTMSAEH-AXFHLTTASA-N 0 3 242.319 0.178 20 0 BCADHN CCN[C@H](C)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000638283468 352119498 /nfs/dbraw/zinc/11/94/98/352119498.db2.gz UJJNMUWYOFDJDB-BBBLOLIVSA-N 0 3 214.309 0.668 20 0 BCADHN CC(C)C[C@@H](C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638282483 352120510 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228.336 0.917 20 0 BCADHN CCN[C@H](C)C(=O)N1CCOCC12CCC2 ZINC000638379613 352191905 /nfs/dbraw/zinc/19/19/05/352191905.db2.gz IZCJVBMKUKZBTN-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@H](NC(=O)[C@@H]1OCC[C@@H]1N)[C@H]1CCCO1 ZINC000638382761 352192160 /nfs/dbraw/zinc/19/21/60/352192160.db2.gz ZKBIKSHBVPDQOJ-UKKRHICBSA-N 0 3 242.319 0.176 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCC(O)(CC)CC1 ZINC000638381531 352193439 /nfs/dbraw/zinc/19/34/39/352193439.db2.gz MIPRBIPBJNNRHT-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCc2ccncc21 ZINC000638314712 352140077 /nfs/dbraw/zinc/14/00/77/352140077.db2.gz DYHGBGPIPWYAJU-VIFPVBQESA-N 0 3 219.288 0.969 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C)[C@H](C)OC ZINC000638322078 352144673 /nfs/dbraw/zinc/14/46/73/352144673.db2.gz UNIZXRNDKVAJQU-CIUDSAMLSA-N 0 3 202.298 0.524 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C)c1nccn1C ZINC000638428971 352237064 /nfs/dbraw/zinc/23/70/64/352237064.db2.gz FWXJDSRQRGHDDU-DTWKUNHWSA-N 0 3 224.308 0.595 20 0 BCADHN 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BCADHN CCOCC[C@@H](O)CN1CCN(CC)CC1 ZINC000434631545 191199133 /nfs/dbraw/zinc/19/91/33/191199133.db2.gz QPCGQIJGRANTSB-GFCCVEGCSA-N 0 3 230.352 0.411 20 0 BCADHN CC[C@@H](NC)C(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000638586321 352416664 /nfs/dbraw/zinc/41/66/64/352416664.db2.gz PGNAGZHGTZSUBR-ZJUUUORDSA-N 0 3 241.335 0.064 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)CC[C@@H](C)O ZINC000411638254 191201407 /nfs/dbraw/zinc/20/14/07/191201407.db2.gz RNRAEECOJXENMA-GHMZBOCLSA-N 0 3 219.325 0.475 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)CC[C@H](C)O ZINC000411638339 191201848 /nfs/dbraw/zinc/20/18/48/191201848.db2.gz RNRAEECOJXENMA-WDEREUQCSA-N 0 3 219.325 0.475 20 0 BCADHN CCCN(C)CC(=O)N1CCNC(=O)C[C@@H]1C ZINC000607919751 352432079 /nfs/dbraw/zinc/43/20/79/352432079.db2.gz WJEPXTCIJXFXMO-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CCNC(=O)CN1[C@H](C)CN(CC)C[C@H]1C ZINC000411720744 191206348 /nfs/dbraw/zinc/20/63/48/191206348.db2.gz NRGRMOXBVMXLIV-GHMZBOCLSA-N 0 3 227.352 0.537 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H]1[C@@H](C)O ZINC000618913460 352432824 /nfs/dbraw/zinc/43/28/24/352432824.db2.gz JIHFYNFHSYWJQR-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN CCOC[C@H](N[C@H]1CCCNC1=O)C(C)C ZINC000411715387 191206772 /nfs/dbraw/zinc/20/67/72/191206772.db2.gz BMJJEGBNPXQCMX-QWRGUYRKSA-N 0 3 228.336 0.916 20 0 BCADHN OC1(CCN2CCN3CCOC[C@H]3C2)CCC1 ZINC000411525250 191192013 /nfs/dbraw/zinc/19/20/13/191192013.db2.gz LYMUBNCVDFKLND-GFCCVEGCSA-N 0 3 240.347 0.308 20 0 BCADHN CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000638576701 352407652 /nfs/dbraw/zinc/40/76/52/352407652.db2.gz RGUYGAVXEPKXSK-JGVFFNPUSA-N 0 3 236.275 0.053 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@H]1CCC(C)(C)O1 ZINC000411817124 191212950 /nfs/dbraw/zinc/21/29/50/191212950.db2.gz JJPTXEGYBBTCOP-OUAUKWLOSA-N 0 3 229.320 0.947 20 0 BCADHN C[C@@H](N)C(=O)N1CCc2nc(C3CC3)ncc2C1 ZINC000638612384 352452188 /nfs/dbraw/zinc/45/21/88/352452188.db2.gz VIKYNCRRPSXUJE-MRVPVSSYSA-N 0 3 246.314 0.586 20 0 BCADHN CN(C)CC1(NC(=O)CCCCO)CCC1 ZINC000393570476 352458176 /nfs/dbraw/zinc/45/81/76/352458176.db2.gz VIKAQFRBVMKQPS-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1Cc2ccccc2NC1=O ZINC000638624887 352462742 /nfs/dbraw/zinc/46/27/42/352462742.db2.gz YLXVXJIPNWSYQY-SNVBAGLBSA-N 0 3 247.298 0.403 20 0 BCADHN Cc1cc(CNC[C@@H]2CCC[C@H]2O)n(C)n1 ZINC000084244852 352467183 /nfs/dbraw/zinc/46/71/83/352467183.db2.gz CFECLCGVJRSMBA-CMPLNLGQSA-N 0 3 223.320 0.979 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)[C@H]1NCC1(C)C ZINC000638628432 352467261 /nfs/dbraw/zinc/46/72/61/352467261.db2.gz KOAJATQPNYFBEH-FBDQPXRJSA-N 0 3 240.347 0.913 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638627586 352468092 /nfs/dbraw/zinc/46/80/92/352468092.db2.gz RMUKBHCRXCKXAK-UATFONFRSA-N 0 3 242.319 0.031 20 0 BCADHN COC(=O)CCN1CC[C@](O)(C(F)F)C1 ZINC000411794237 191211160 /nfs/dbraw/zinc/21/11/60/191211160.db2.gz JCGJKDWRVFPUBP-SECBINFHSA-N 0 3 223.219 0.251 20 0 BCADHN 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CC[C@@H](C)[C@H](N)C(=O)N1CCO[C@@H](CCF)C1 ZINC000638683117 352521162 /nfs/dbraw/zinc/52/11/62/352521162.db2.gz CHGAQUXTBRKTKO-VWYCJHECSA-N 0 3 246.326 0.947 20 0 BCADHN NC1(C(=O)N2CCO[C@@H](CCF)C2)CC1 ZINC000638684097 352521580 /nfs/dbraw/zinc/52/15/80/352521580.db2.gz PKEOFKHIPRRIBL-QMMMGPOBSA-N 0 3 216.256 0.065 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CCO[C@@H](CCF)C1 ZINC000638683892 352521629 /nfs/dbraw/zinc/52/16/29/352521629.db2.gz NBFPRCVQLIKYJP-QWRGUYRKSA-N 0 3 246.326 0.947 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000638693813 352530304 /nfs/dbraw/zinc/53/03/04/352530304.db2.gz AAGVWXADTFOQJW-DJLDLDEBSA-N 0 3 248.273 0.653 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000638693815 352530547 /nfs/dbraw/zinc/53/05/47/352530547.db2.gz AAGVWXADTFOQJW-IWSPIJDZSA-N 0 3 248.273 0.653 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000638693816 352530694 /nfs/dbraw/zinc/53/06/94/352530694.db2.gz AAGVWXADTFOQJW-YIZRAAEISA-N 0 3 248.273 0.653 20 0 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/nfs/dbraw/zinc/25/06/89/191250689.db2.gz MTCVZMRVFRUKOI-UMNHJUIQSA-N 0 3 243.303 0.021 20 0 BCADHN CN(C)S(=O)(=O)CCN1CCC(C)(C)CC1 ZINC000334193493 352784968 /nfs/dbraw/zinc/78/49/68/352784968.db2.gz KHICLVZXXAWQEL-UHFFFAOYSA-N 0 3 248.392 1.000 20 0 BCADHN CCN1C[C@H](C)N(CC(=O)N2CCC2)C[C@@H]1C ZINC000334198700 352790513 /nfs/dbraw/zinc/79/05/13/352790513.db2.gz LTMIWPGYQQSYDW-RYUDHWBXSA-N 0 3 239.363 0.633 20 0 BCADHN C[C@H]1[C@H](CO)CCCN1CCN1CCCC1=O ZINC000412071451 191251414 /nfs/dbraw/zinc/25/14/14/191251414.db2.gz GYCRDBKJCXIQAV-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CC[C@H](C2CC2)C1 ZINC000334199936 352792335 /nfs/dbraw/zinc/79/23/35/352792335.db2.gz MXBFOJHGDQSILR-CBAPKCEASA-N 0 3 225.292 0.302 20 0 BCADHN COC(=O)[C@@]1(C)CCCN([C@@H]2COC[C@H]2O)C1 ZINC000412068556 191251706 /nfs/dbraw/zinc/25/17/06/191251706.db2.gz MTCVZMRVFRUKOI-FOGDFJRCSA-N 0 3 243.303 0.021 20 0 BCADHN Cc1nn(C)cc1CNC[C@H]1CC[C@@H](CO)O1 ZINC000292647818 187859731 /nfs/dbraw/zinc/85/97/31/187859731.db2.gz KTGOHXXJTIORCD-NEPJUHHUSA-N 0 3 239.319 0.358 20 0 BCADHN CSC1(CN2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000334203363 352796727 /nfs/dbraw/zinc/79/67/27/352796727.db2.gz QPSKBSLEWZGPIV-VIFPVBQESA-N 0 3 241.360 0.591 20 0 BCADHN Cc1nccn1CCN1CCO[C@H](C)C1 ZINC000334204019 352797520 /nfs/dbraw/zinc/79/75/20/352797520.db2.gz VGSGXMATEMRSFR-SNVBAGLBSA-N 0 3 209.293 0.912 20 0 BCADHN COC(=O)[C@H]1CSCCN(C[C@@H](C)OC)C1 ZINC000412078108 191252562 /nfs/dbraw/zinc/25/25/62/191252562.db2.gz OHWXGHPEUIZFQY-NXEZZACHSA-N 0 3 247.360 0.859 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCOC[C@@H]1C ZINC000334206418 352801973 /nfs/dbraw/zinc/80/19/73/352801973.db2.gz ZKUSYZGTPINXLP-UWVGGRQHSA-N 0 3 229.324 0.367 20 0 BCADHN COC(=O)[C@@H]1CSCCN(C[C@@H](C)O)C1 ZINC000412076346 191252630 /nfs/dbraw/zinc/25/26/30/191252630.db2.gz NBQTWJXNAOJROG-BDAKNGLRSA-N 0 3 233.333 0.205 20 0 BCADHN COC(=O)[C@H]1CSCCN(C[C@@H](C)O)C1 ZINC000412076370 191252845 /nfs/dbraw/zinc/25/28/45/191252845.db2.gz NBQTWJXNAOJROG-RKDXNWHRSA-N 0 3 233.333 0.205 20 0 BCADHN Cn1nc2c(c1NC(=O)CNCC1CC1)CCC2 ZINC000262643894 180808928 /nfs/dbraw/zinc/80/89/28/180808928.db2.gz MKSMAPBJNNJBIM-UHFFFAOYSA-N 0 3 248.330 0.847 20 0 BCADHN C[C@@]1(O)CCCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000334246949 352838205 /nfs/dbraw/zinc/83/82/05/352838205.db2.gz JIPFBBYKNVFJOX-WCQYABFASA-N 0 3 238.331 0.597 20 0 BCADHN CCN1CC[C@@H](NC(=O)N2CCSCC2)C1 ZINC000334228878 352846119 /nfs/dbraw/zinc/84/61/19/352846119.db2.gz PCFIFUHCMSUQFG-SNVBAGLBSA-N 0 3 243.376 0.839 20 0 BCADHN CN(C(=O)[C@@H]1CCOC1)[C@@H]1CN2CCC1CC2 ZINC000334290107 352929161 /nfs/dbraw/zinc/92/91/61/352929161.db2.gz LRNNMCDKLFXAAD-VXGBXAGGSA-N 0 3 238.331 0.576 20 0 BCADHN COCCC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000334269009 352904882 /nfs/dbraw/zinc/90/48/82/352904882.db2.gz COAVCCFYQVCLOW-GFCCVEGCSA-N 0 3 226.320 0.577 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H](C)CCN2)C1 ZINC000638809666 352987349 /nfs/dbraw/zinc/98/73/49/352987349.db2.gz VMIDGJYZCPQFSN-WISYIIOYSA-N 0 3 240.347 0.916 20 0 BCADHN O=C(CCOC1CNC1)N[C@H]1CCCC12CC2 ZINC000638833952 353016000 /nfs/dbraw/zinc/01/60/00/353016000.db2.gz KXRYZGNBOWPCPG-NSHDSACASA-N 0 3 238.331 0.814 20 0 BCADHN C[C@@H](NCC(=O)N1CCOCC1)[C@@H]1CC1(F)F ZINC000638841941 353018086 /nfs/dbraw/zinc/01/80/86/353018086.db2.gz HFJZYLLHTMAIDB-BDAKNGLRSA-N 0 3 248.273 0.479 20 0 BCADHN CC1(OCC(=O)N[C@@H]2CCCC23CC3)CNC1 ZINC000638832139 353013119 /nfs/dbraw/zinc/01/31/19/353013119.db2.gz FEXSVOXQBVGSGK-SNVBAGLBSA-N 0 3 238.331 0.814 20 0 BCADHN CO[C@H]1CCC[C@@H]1CNCc1ncnn1C ZINC000638832385 353013371 /nfs/dbraw/zinc/01/33/71/353013371.db2.gz HSZYJOIMTIDZLB-ZJUUUORDSA-N 0 3 224.308 0.720 20 0 BCADHN C[C@@H]1COCCN1CCNCc1ccns1 ZINC000638863991 353037800 /nfs/dbraw/zinc/03/78/00/353037800.db2.gz FRNXJUBEVUVGRZ-SNVBAGLBSA-N 0 3 241.360 0.953 20 0 BCADHN CO[C@H](CNCC(=O)N(C)C)C1CCCC1 ZINC000638866445 353040602 /nfs/dbraw/zinc/04/06/02/353040602.db2.gz SSSQLUKNNAEZTD-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](C[C@@H]1CCCC(=O)N1)NCC(=O)N(C)C ZINC000638867109 353041208 /nfs/dbraw/zinc/04/12/08/353041208.db2.gz XGQSIYUITRVMDY-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN Cn1nccc1CN[C@@H](CO)C1CCOCC1 ZINC000359904568 180845700 /nfs/dbraw/zinc/84/57/00/180845700.db2.gz HQQJWXYRMLGSMC-LBPRGKRZSA-N 0 3 239.319 0.297 20 0 BCADHN Cn1nccc1CNC[C@H]1CC[C@@H](CO)O1 ZINC000292648014 180844642 /nfs/dbraw/zinc/84/46/42/180844642.db2.gz KUWKXRGRIAVVEZ-MNOVXSKESA-N 0 3 225.292 0.050 20 0 BCADHN COCC(=O)Nc1ccc2c(c1)CNC2 ZINC000140577154 353124748 /nfs/dbraw/zinc/12/47/48/353124748.db2.gz USIVGGLJBNXSJY-UHFFFAOYSA-N 0 3 206.245 0.875 20 0 BCADHN CNC(=O)[C@H](NC[C@@H](O)CSC)C(C)C ZINC000188226870 353129940 /nfs/dbraw/zinc/12/99/40/353129940.db2.gz ICUSHADWLRPUAB-RKDXNWHRSA-N 0 3 234.365 0.071 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000638943049 353140731 /nfs/dbraw/zinc/14/07/31/353140731.db2.gz GCOVQAGULZXFSS-DOLQZWNJSA-N 0 3 214.309 0.667 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)CCOC2CNC2)[C@@H](C)O1 ZINC000638943044 353140738 /nfs/dbraw/zinc/14/07/38/353140738.db2.gz FYFWNSVXSJMXRJ-KKZNHRDASA-N 0 3 242.319 0.047 20 0 BCADHN CN(CCC(=O)NC(N)=O)C[C@@H]1CCCCO1 ZINC000048839864 353158536 /nfs/dbraw/zinc/15/85/36/353158536.db2.gz MPGDNMHODGLTOD-VIFPVBQESA-N 0 3 243.307 0.072 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCCC(=O)N(C)C ZINC000236680317 188085919 /nfs/dbraw/zinc/08/59/19/188085919.db2.gz OSYIMSVUXLLJMO-JTQLQIEISA-N 0 3 243.351 0.344 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2NCC2(C)C)[C@H](C)O1 ZINC000638943708 353143364 /nfs/dbraw/zinc/14/33/64/353143364.db2.gz KICZOWULAHHXPA-XFWSIPNHSA-N 0 3 226.320 0.667 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000019423949 188058992 /nfs/dbraw/zinc/05/89/92/188058992.db2.gz FZALYKBJTVYQSS-DCAQKATOSA-N 0 3 228.336 0.996 20 0 BCADHN CO[C@@H](C)CN(C)CCN1CCOC[C@@H]1C ZINC000353219099 188060820 /nfs/dbraw/zinc/06/08/20/188060820.db2.gz LYBFKSHJEHIOTK-RYUDHWBXSA-N 0 3 230.352 0.674 20 0 BCADHN CC(C)[C@H](O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000353233825 188061185 /nfs/dbraw/zinc/06/11/85/188061185.db2.gz XGFMHEVVIOBBEC-SRVKXCTJSA-N 0 3 242.363 0.944 20 0 BCADHN CCC[C@@H](N)C(=O)NC[C@H](O)C(F)(F)F ZINC000225391088 363204879 /nfs/dbraw/zinc/20/48/79/363204879.db2.gz LAPHIIJMLGYTTB-RITPCOANSA-N 0 3 228.214 0.153 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)N(CCN(C)C)C1CC1 ZINC000356292491 188064755 /nfs/dbraw/zinc/06/47/55/188064755.db2.gz PQTCIDPUWDPROC-VIFPVBQESA-N 0 3 241.335 0.064 20 0 BCADHN C[C@@H]1CN(C(=O)COCC2CC2)[C@@H](C)CN1 ZINC000356378150 188064851 /nfs/dbraw/zinc/06/48/51/188064851.db2.gz YKGCAOTUHNZGCY-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN CC(C)=CCN1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358176442 188067201 /nfs/dbraw/zinc/06/72/01/188067201.db2.gz CQTAPJJEFONUIE-NSHDSACASA-N 0 3 246.376 0.953 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000358335726 188067360 /nfs/dbraw/zinc/06/73/60/188067360.db2.gz NSIBAYDTZPZKFT-LBPRGKRZSA-N 0 3 241.335 0.051 20 0 BCADHN CCc1nc(C(=O)N(C)CCN(C)C)no1 ZINC000359215004 188068520 /nfs/dbraw/zinc/06/85/20/188068520.db2.gz PRSODQGOQWYJOW-UHFFFAOYSA-N 0 3 226.280 0.266 20 0 BCADHN CC(C)(O)CCN1CCCC[C@H]1C(N)=O ZINC000360449144 188069307 /nfs/dbraw/zinc/06/93/07/188069307.db2.gz RLBUHRLDZQXPHM-VIFPVBQESA-N 0 3 214.309 0.487 20 0 BCADHN CC(C)[C@H](CO)NCC(=O)Nc1ccncc1 ZINC000359831492 188069474 /nfs/dbraw/zinc/06/94/74/188069474.db2.gz KJWRHVISNKGAOO-NSHDSACASA-N 0 3 237.303 0.049 20 0 BCADHN CC(C)[C@@H](O)CN1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000367924175 188073126 /nfs/dbraw/zinc/07/31/26/188073126.db2.gz BPEUKRBSLYKYPU-FRRDWIJNSA-N 0 3 243.347 0.883 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1CCc2nccn2C1 ZINC000373119961 188075760 /nfs/dbraw/zinc/07/57/60/188075760.db2.gz CXNWEMYOGWSUQB-ONGXEEELSA-N 0 3 236.319 0.297 20 0 BCADHN CC(=O)NCCCN1CCOCC[C@@H]1C ZINC000375005963 188077485 /nfs/dbraw/zinc/07/74/85/188077485.db2.gz UUOAKKOXLKOWCG-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188446117 353152531 /nfs/dbraw/zinc/15/25/31/353152531.db2.gz SANVWQOFEBQLCD-XHNCKOQMSA-N 0 3 218.272 0.085 20 0 BCADHN CCN(CC)CC(=O)N(C)CC[C@H](C)O ZINC000305010877 188078100 /nfs/dbraw/zinc/07/81/00/188078100.db2.gz QWXYIXIHAUPHBS-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN CC(=O)NCCCN[C@H](C)c1cn(C)nc1C ZINC000178514250 188080771 /nfs/dbraw/zinc/08/07/71/188080771.db2.gz FOSKMKHJJGAMEU-SECBINFHSA-N 0 3 238.335 0.905 20 0 BCADHN Cc1nccn1-c1ccc(NC(=O)[C@H](C)N)cn1 ZINC000037005278 188083100 /nfs/dbraw/zinc/08/31/00/188083100.db2.gz KBIKXXHTXNFISU-QMMMGPOBSA-N 0 3 245.286 0.861 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)Cc1nccn1C ZINC000037823005 188083137 /nfs/dbraw/zinc/08/31/37/188083137.db2.gz ZNKQBQJBACMTKS-JTQLQIEISA-N 0 3 238.335 0.752 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCn1cccn1 ZINC000042542359 188083864 /nfs/dbraw/zinc/08/38/64/188083864.db2.gz JGVVPLRIYZRACI-JTQLQIEISA-N 0 3 224.308 0.373 20 0 BCADHN CC(C)[C@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126093937 188085257 /nfs/dbraw/zinc/08/52/57/188085257.db2.gz USBKGOYUXKGNDG-ONGXEEELSA-N 0 3 243.351 0.247 20 0 BCADHN CC(C)[C@@H](CO)NCC(=O)N1CCC[C@@H](C)C1 ZINC000180616957 535203240 /nfs/dbraw/zinc/20/32/40/535203240.db2.gz IUPSSSKWOABTCR-VXGBXAGGSA-N 0 3 242.363 0.851 20 0 BCADHN Cn1nncc1CN1CCN2CCC1CC2 ZINC000368046322 180868131 /nfs/dbraw/zinc/86/81/31/180868131.db2.gz YCGKHQRITFNHTC-UHFFFAOYSA-N 0 3 221.308 0.095 20 0 BCADHN CC[C@@H](N)C(=O)NCCC[C@H](O)CC ZINC000336761046 353172926 /nfs/dbraw/zinc/17/29/26/353172926.db2.gz MUCBMJULBAMJLN-RKDXNWHRSA-N 0 3 202.298 0.391 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@H]1CCSC1 ZINC000188482323 353173532 /nfs/dbraw/zinc/17/35/32/353173532.db2.gz JCVXDOZXNCWWQG-IUCAKERBSA-N 0 3 216.350 0.948 20 0 BCADHN Cn1nncc1CNCC1(O)CCCC1 ZINC000129757646 180868965 /nfs/dbraw/zinc/86/89/65/180868965.db2.gz RIFRAOFLHVPBIQ-UHFFFAOYSA-N 0 3 210.281 0.210 20 0 BCADHN CC(C)CN(C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000049442347 353165109 /nfs/dbraw/zinc/16/51/09/353165109.db2.gz ZDOWSZDLYFYTAS-SECBINFHSA-N 0 3 241.335 0.951 20 0 BCADHN CC(C)C[C@@H](N)C(=O)Nc1cnn(C)c1 ZINC000035738046 188104447 /nfs/dbraw/zinc/10/44/47/188104447.db2.gz ORIFVIRDQYHCCL-SECBINFHSA-N 0 3 210.281 0.732 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCOC1 ZINC000236713467 188086814 /nfs/dbraw/zinc/08/68/14/188086814.db2.gz NJUOAHCSUQLZBR-ZJUUUORDSA-N 0 3 214.309 0.465 20 0 BCADHN C[C@H](CO)NC[C@](C)(O)C(F)(F)F ZINC000308326208 353178962 /nfs/dbraw/zinc/17/89/62/353178962.db2.gz GECLCUVPMDVILJ-RITPCOANSA-N 0 3 201.188 0.270 20 0 BCADHN CC(C)N1CCN(CCOCCO)CC1 ZINC000040229414 188110391 /nfs/dbraw/zinc/11/03/91/188110391.db2.gz VUSOKBWFDNTHLM-UHFFFAOYSA-N 0 3 216.325 0.021 20 0 BCADHN CC1(OCC(=O)N[C@@]23C[C@@H]2CCCC3)CNC1 ZINC000638971340 353179199 /nfs/dbraw/zinc/17/91/99/353179199.db2.gz BVMPAVVLNTUHHQ-GWCFXTLKSA-N 0 3 238.331 0.814 20 0 BCADHN CC(=O)NCCNCC(=O)N1CCCCCC1 ZINC000035138427 188111810 /nfs/dbraw/zinc/11/18/10/188111810.db2.gz HBBFOCASTVFVRB-UHFFFAOYSA-N 0 3 241.335 0.115 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000036999351 188113648 /nfs/dbraw/zinc/11/36/48/188113648.db2.gz IGUUPQDLYKNQCR-UWVGGRQHSA-N 0 3 224.308 0.371 20 0 BCADHN Cc1cc(N)cc(NC(=O)[C@@H]2OCC[C@@H]2N)c1 ZINC000638979163 353183027 /nfs/dbraw/zinc/18/30/27/353183027.db2.gz GBRVBXCDNSWYCH-WDEREUQCSA-N 0 3 235.287 0.632 20 0 BCADHN Cc1cc(N)cc(NC(=O)CN2CCNCC2)c1 ZINC000638978668 353185427 /nfs/dbraw/zinc/18/54/27/353185427.db2.gz LKAMNKAXUCSOSJ-UHFFFAOYSA-N 0 3 248.330 0.421 20 0 BCADHN CC(C)(N)C(=O)Nc1cnn2c1CCCC2 ZINC000638978768 353186044 /nfs/dbraw/zinc/18/60/44/353186044.db2.gz NXEYMLFNWOLOTD-UHFFFAOYSA-N 0 3 222.292 0.895 20 0 BCADHN CC(C)C[C@@H](CO)NCc1cnn(C)c1 ZINC000040774768 188118591 /nfs/dbraw/zinc/11/85/91/188118591.db2.gz OFWGZZUIWKUBNM-NSHDSACASA-N 0 3 211.309 0.917 20 0 BCADHN CN(C)C1(CNCc2cn(C)nn2)CCC1 ZINC000165175647 353188847 /nfs/dbraw/zinc/18/88/47/353188847.db2.gz RCWLVWHBSNZTQE-UHFFFAOYSA-N 0 3 223.324 0.389 20 0 BCADHN CC(C)N(C)CC(=O)NCc1csc(=O)[nH]1 ZINC000089507903 188144556 /nfs/dbraw/zinc/14/45/56/188144556.db2.gz LZBKMGHLEPQUTO-UHFFFAOYSA-N 0 3 243.332 0.393 20 0 BCADHN CC(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638987083 353216335 /nfs/dbraw/zinc/21/63/35/353216335.db2.gz KMJQTIKFWDVGAE-UHFFFAOYSA-N 0 3 220.276 0.450 20 0 BCADHN CC(C)CNC(=O)CN[C@H]1CCC[C@@]1(C)CO ZINC000331030695 353217075 /nfs/dbraw/zinc/21/70/75/353217075.db2.gz ZGDNEXNXDSQBGL-AAEUAGOBSA-N 0 3 242.363 0.899 20 0 BCADHN CC(C)CNC(=O)CN[C@@H]1CCC[C@@]1(C)CO ZINC000331030698 353217144 /nfs/dbraw/zinc/21/71/44/353217144.db2.gz ZGDNEXNXDSQBGL-YPMHNXCESA-N 0 3 242.363 0.899 20 0 BCADHN CO[C@@H](C)[C@H](C)NCC(C)(C)S(C)(=O)=O ZINC000157138005 538111195 /nfs/dbraw/zinc/11/11/95/538111195.db2.gz CSORVWLJIXJGMO-IUCAKERBSA-N 0 3 237.365 0.823 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)CC(N)=O ZINC000330959773 353204732 /nfs/dbraw/zinc/20/47/32/353204732.db2.gz IYKTXELCAMFRQU-VIFPVBQESA-N 0 3 227.308 0.902 20 0 BCADHN Cc1noc(C)c1C(=O)N(C)CCN(C)C ZINC000080390714 188137344 /nfs/dbraw/zinc/13/73/44/188137344.db2.gz ZKVSCYIVRNSEIG-UHFFFAOYSA-N 0 3 225.292 0.925 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H](O)C1CC1 ZINC000126041436 188140821 /nfs/dbraw/zinc/14/08/21/188140821.db2.gz QLTGDDQFZQQMTJ-LLVKDONJSA-N 0 3 209.293 0.589 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@@](C)(O)C(C)C ZINC000331009553 353212173 /nfs/dbraw/zinc/21/21/73/353212173.db2.gz INCKFULVZORMJT-YPMHNXCESA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)CC[C@H](O)CN[C@@H]1C(=O)NCC[C@H]1C ZINC000331271402 353232782 /nfs/dbraw/zinc/23/27/82/353232782.db2.gz NBVKHRYPPAFMLR-WOPDTQHZSA-N 0 3 242.363 0.898 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@H]([C@@H](C)O)C1 ZINC000134734244 188156407 /nfs/dbraw/zinc/15/64/07/188156407.db2.gz PMKPJYFXRMRCFD-MNOVXSKESA-N 0 3 223.320 0.931 20 0 BCADHN CC(C)(CN)NC(=O)C(=O)Nc1ccccc1 ZINC000151866547 188156787 /nfs/dbraw/zinc/15/67/87/188156787.db2.gz BYFHKYWZNNTOIM-UHFFFAOYSA-N 0 3 235.287 0.479 20 0 BCADHN CCN1CCN(C(=O)[C@@H]2C[C@H](C)CCN2)CC1 ZINC000126030788 353220760 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ZINC000332165965 188226840 /nfs/dbraw/zinc/22/68/40/188226840.db2.gz SDRZEIOIARZLGW-USZNOCQGSA-N 0 3 240.347 0.901 20 0 BCADHN CCN1CCN(c2ccnc(C(N)=O)c2)[C@@H](C)C1 ZINC000343272578 353295772 /nfs/dbraw/zinc/29/57/72/353295772.db2.gz CQODFAZGLFDFIH-JTQLQIEISA-N 0 3 248.330 0.711 20 0 BCADHN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1N ZINC000331946242 188227515 /nfs/dbraw/zinc/22/75/15/188227515.db2.gz SLDRVDOOTKLKSV-ZNSHCXBVSA-N 0 3 226.320 0.511 20 0 BCADHN C[C@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)N(C)C ZINC000336280246 188228323 /nfs/dbraw/zinc/22/83/23/188228323.db2.gz OHQACLHKFKBODB-GXSJLCMTSA-N 0 3 248.326 0.926 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCCOC(F)(F)F ZINC000639033888 353305341 /nfs/dbraw/zinc/30/53/41/353305341.db2.gz RDINCSDKDKLVSH-LURJTMIESA-N 0 3 240.225 0.637 20 0 BCADHN NC1(C(=O)NCc2noc3c2CCCC3)CC1 ZINC000639033996 353305517 /nfs/dbraw/zinc/30/55/17/353305517.db2.gz WAYJYNFJZYMCBD-UHFFFAOYSA-N 0 3 235.287 0.661 20 0 BCADHN N[C@@H](C(=O)N1CCn2nccc21)C1CCC1 ZINC000639034716 353307647 /nfs/dbraw/zinc/30/76/47/353307647.db2.gz LKYVMHAFYKUTKF-SNVBAGLBSA-N 0 3 220.276 0.357 20 0 BCADHN CCOC1CC(NCC(=O)NC(C)C)C1 ZINC000162777990 353330510 /nfs/dbraw/zinc/33/05/10/353330510.db2.gz ACAQSOUQAMCEQN-UHFFFAOYSA-N 0 3 214.309 0.668 20 0 BCADHN O=C(CN1CCC[C@H]2COCC[C@H]21)N1CCC1 ZINC000334501246 353334485 /nfs/dbraw/zinc/33/44/85/353334485.db2.gz YGGYIILPXKJYOB-NWDGAFQWSA-N 0 3 238.331 0.720 20 0 BCADHN CN1CCC(NC(=O)[C@@](C)(O)C2CC2)CC1 ZINC000334501653 353336901 /nfs/dbraw/zinc/33/69/01/353336901.db2.gz AZAQVLNNQRNUIJ-LBPRGKRZSA-N 0 3 226.320 0.358 20 0 BCADHN CCNC(=O)CN1CCCC[C@H]1C[C@H](C)O ZINC000253100141 353316928 /nfs/dbraw/zinc/31/69/28/353316928.db2.gz WBSFUXKVTFTLMA-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@H](NC1(C(N)=O)CC1)[C@@H]1CC1(F)F ZINC000639042720 353326028 /nfs/dbraw/zinc/32/60/28/353326028.db2.gz IYJYSGTXPLZPFK-WDSKDSINSA-N 0 3 204.220 0.638 20 0 BCADHN COCCO[C@H]1COCC[C@@H]1NC1CSC1 ZINC000381763496 538115681 /nfs/dbraw/zinc/11/56/81/538115681.db2.gz UPLZBZAUQNLNIM-QWRGUYRKSA-N 0 3 247.360 0.512 20 0 BCADHN Cc1cccc(CNC[C@](C)(O)CO)c1 ZINC000085250909 538116157 /nfs/dbraw/zinc/11/61/57/538116157.db2.gz KQXDVACUHVOEFW-LBPRGKRZSA-N 0 3 209.289 0.828 20 0 BCADHN COc1cccc(CNC[C@](C)(O)CO)c1 ZINC000085250362 538116195 /nfs/dbraw/zinc/11/61/95/538116195.db2.gz ILTCUKVTZMEXHZ-LBPRGKRZSA-N 0 3 225.288 0.528 20 0 BCADHN CO[C@@]1(CN2CCO[C@H](C3CC3)C2)CCOC1 ZINC000639062289 353371459 /nfs/dbraw/zinc/37/14/59/353371459.db2.gz XBIMIVSBRWLIIR-QWHCGFSZSA-N 0 3 241.331 0.903 20 0 BCADHN CCC[C@H](CN1CCN2CCOC[C@@H]2C1)OC ZINC000639062856 353376862 /nfs/dbraw/zinc/37/68/62/353376862.db2.gz VFCQAVJEKIYZJS-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN CCCN(C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343294506 353379960 /nfs/dbraw/zinc/37/99/60/353379960.db2.gz KYVBFDVBJSEBGE-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CCN1CCCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000537609504 324086984 /nfs/dbraw/zinc/08/69/84/324086984.db2.gz JCWYOHAXVZNZMV-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN N[C@H](C(=O)NC[C@H]1CCCOC1)C1CCC1 ZINC000398974166 353402107 /nfs/dbraw/zinc/40/21/07/353402107.db2.gz BXVNKJOZXOCQTQ-KOLCDFICSA-N 0 3 226.320 0.657 20 0 BCADHN COC[C@@H](C)[C@H](C)C(=O)NC[C@H](C)N(C)C ZINC000412393740 191278484 /nfs/dbraw/zinc/27/84/84/191278484.db2.gz JQJCQJJWIZFBCZ-VWYCJHECSA-N 0 3 230.352 0.971 20 0 BCADHN CCC[C@H](N)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000037821583 358478405 /nfs/dbraw/zinc/47/84/05/358478405.db2.gz XKMITCUNJUHGEZ-GUBZILKMSA-N 0 3 241.335 0.226 20 0 BCADHN CCC[C@H](OC)C(=O)NC[C@H](C)N(C)C ZINC000412393727 191279069 /nfs/dbraw/zinc/27/90/69/191279069.db2.gz JNAYCAPBGGJSQJ-UWVGGRQHSA-N 0 3 216.325 0.868 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)N(C)C ZINC000412396352 191279863 /nfs/dbraw/zinc/27/98/63/191279863.db2.gz VHKIKIBQMHWYHX-MMWGEVLESA-N 0 3 226.320 0.478 20 0 BCADHN COCc1ccc(CNCCC(N)=O)cc1 ZINC000085501007 538117083 /nfs/dbraw/zinc/11/70/83/538117083.db2.gz BXQVSZSFRMTNDT-UHFFFAOYSA-N 0 3 222.288 0.798 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)NCC(C)(C)C(N)=O)C1 ZINC000230390027 353491926 /nfs/dbraw/zinc/49/19/26/353491926.db2.gz VWZWYNINTVUYQO-IUCAKERBSA-N 0 3 241.335 0.002 20 0 BCADHN C[C@H]1CCN[C@@H](C(=O)NCC(C)(C)C(N)=O)C1 ZINC000230390020 353492019 /nfs/dbraw/zinc/49/20/19/353492019.db2.gz VWZWYNINTVUYQO-DTWKUNHWSA-N 0 3 241.335 0.002 20 0 BCADHN CNC(=O)C(C)(C)CN[C@H](C)c1cnccn1 ZINC000230403584 353493427 /nfs/dbraw/zinc/49/34/27/353493427.db2.gz QKXODVJELCXNIU-SECBINFHSA-N 0 3 236.319 0.899 20 0 BCADHN C[C@@H](N)C(=O)N1CCN(C)c2cc(F)ccc21 ZINC000178863023 538117637 /nfs/dbraw/zinc/11/76/37/538117637.db2.gz CLBLQJXRZQOGRH-MRVPVSSYSA-N 0 3 237.278 0.956 20 0 BCADHN C[C@@H]1C[C@H](O)CN1Cc1ccc(=O)[nH]c1 ZINC000639094859 353479184 /nfs/dbraw/zinc/47/91/84/353479184.db2.gz JFGGIKUQGATSPC-SCZZXKLOSA-N 0 3 208.261 0.742 20 0 BCADHN CNC(=O)[C@@H](N[C@H]1CCSC1)C(C)C ZINC000134878924 353512503 /nfs/dbraw/zinc/51/25/03/353512503.db2.gz HJXIWHXDGMSINO-IUCAKERBSA-N 0 3 216.350 0.852 20 0 BCADHN NC1(C(=O)NCCN2CCSCC2)CCC1 ZINC000230937395 353548504 /nfs/dbraw/zinc/54/85/04/353548504.db2.gz SPXWVTVLUAUCHU-UHFFFAOYSA-N 0 3 243.376 0.033 20 0 BCADHN CC(C)N1CC[C@@H](NCCn2cccn2)C1=O ZINC000175207980 535237267 /nfs/dbraw/zinc/23/72/67/535237267.db2.gz YEFDZPREOVMJRQ-LLVKDONJSA-N 0 3 236.319 0.482 20 0 BCADHN Nc1ncc(CN[C@@H]2CC23CCCC3)c(N)n1 ZINC000639103319 353577659 /nfs/dbraw/zinc/57/76/59/353577659.db2.gz GOMGIVWGEFSKQE-SECBINFHSA-N 0 3 233.319 0.724 20 0 BCADHN COC(=O)[C@H](C)CN(C)C(=O)[C@H](N)C(C)C ZINC000037823450 358479089 /nfs/dbraw/zinc/47/90/89/358479089.db2.gz ABDNFJDHDMEIFI-RKDXNWHRSA-N 0 3 230.308 0.237 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H](O)c1ccsc1 ZINC000225518171 188435126 /nfs/dbraw/zinc/43/51/26/188435126.db2.gz KCQOSPJBCKZBNS-MRVPVSSYSA-N 0 3 228.317 0.635 20 0 BCADHN CO[C@@H]1CN(CCC[C@@H]2CCO2)C[C@@H]1OC ZINC000639101641 353552225 /nfs/dbraw/zinc/55/22/25/353552225.db2.gz DPRXYQHOUGNGAJ-UTUOFQBUSA-N 0 3 229.320 0.901 20 0 BCADHN CCc1onc(C)c1C(=O)NCCN(C)C ZINC000192889908 353566086 /nfs/dbraw/zinc/56/60/86/353566086.db2.gz KLKIJGLRNUSQAH-UHFFFAOYSA-N 0 3 225.292 0.837 20 0 BCADHN COC(=O)c1cncnc1NC[C@H](C)N(C)C ZINC000304173558 324180714 /nfs/dbraw/zinc/18/07/14/324180714.db2.gz RVSAVKHHVVVGTR-QMMMGPOBSA-N 0 3 238.291 0.625 20 0 BCADHN COc1cc(C[C@@H](C)N[C@H](C)C(N)=O)ccn1 ZINC000639109351 353660779 /nfs/dbraw/zinc/66/07/79/353660779.db2.gz XLMVYCSVEYQTLH-RKDXNWHRSA-N 0 3 237.303 0.485 20 0 BCADHN CCN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189886526 353711276 /nfs/dbraw/zinc/71/12/76/353711276.db2.gz FQQDVHDGRJTCIJ-SNVBAGLBSA-N 0 3 200.326 0.783 20 0 BCADHN CCOCCNC(=O)NC[C@H]1CCCN1C ZINC000195125708 353726102 /nfs/dbraw/zinc/72/61/02/353726102.db2.gz ZMAHZWWFXAOJTD-SNVBAGLBSA-N 0 3 229.324 0.416 20 0 BCADHN CC1(C)CCCN[C@@H]1C(=O)N1CCOCC1 ZINC000232795810 353763980 /nfs/dbraw/zinc/76/39/80/353763980.db2.gz AGRAWTDVFPNIOJ-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@@H]1CC[C@H](C)O1 ZINC000398089340 324216881 /nfs/dbraw/zinc/21/68/81/324216881.db2.gz NLDAIQZXOVSQPM-DCAQKATOSA-N 0 3 249.376 0.967 20 0 BCADHN CC[C@H](C(=O)NCC1=CCN(C)CC1)N(C)C ZINC000343331862 353744703 /nfs/dbraw/zinc/74/47/03/353744703.db2.gz FTLQRUWYIWZYAS-GFCCVEGCSA-N 0 3 239.363 0.705 20 0 BCADHN CCCN(C)CC(=O)N1CCNC[C@H]1C ZINC000262056931 535247585 /nfs/dbraw/zinc/24/75/85/535247585.db2.gz XMXHADZKHKFJOV-SNVBAGLBSA-N 0 3 213.325 0.149 20 0 BCADHN Cn1nncc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000366824100 353805682 /nfs/dbraw/zinc/80/56/82/353805682.db2.gz NHFSYUXDJFWDRB-IJLUTSLNSA-N 0 3 248.330 0.862 20 0 BCADHN C[C@@H](C[C@H]1CCCC(=O)N1)NCCF ZINC000639132406 353842058 /nfs/dbraw/zinc/84/20/58/353842058.db2.gz AWYPGWQNPFNDPH-DTWKUNHWSA-N 0 3 202.273 0.993 20 0 BCADHN CC(C)[C@H]1C[C@@H](NC(=O)[C@H](C)N)CCO1 ZINC000261571022 535249053 /nfs/dbraw/zinc/24/90/53/535249053.db2.gz HHQDYMPVFQEOKP-LPEHRKFASA-N 0 3 214.309 0.653 20 0 BCADHN CCSCCN1C[C@@H](O)C[C@H]1CO ZINC000186506559 353869139 /nfs/dbraw/zinc/86/91/39/353869139.db2.gz BWXMCPRQDGIJJM-IUCAKERBSA-N 0 3 205.323 0.167 20 0 BCADHN C[C@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343359671 353872448 /nfs/dbraw/zinc/87/24/48/353872448.db2.gz GFERBPLRMWSAHP-NWDGAFQWSA-N 0 3 237.347 0.245 20 0 BCADHN COC[C@H](C)N[C@@H]1CCO[C@@H]1c1nccn1C ZINC000343395254 353876927 /nfs/dbraw/zinc/87/69/27/353876927.db2.gz HHQVSWQDNULXPO-AXFHLTTASA-N 0 3 239.319 0.875 20 0 BCADHN CCC1(NC(=O)[C@@H](N)CCC(=O)OC)CCC1 ZINC000343418352 353880656 /nfs/dbraw/zinc/88/06/56/353880656.db2.gz LOSGJBYEKDDYGO-VIFPVBQESA-N 0 3 242.319 0.716 20 0 BCADHN CO[C@H](C)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343424446 353881549 /nfs/dbraw/zinc/88/15/49/353881549.db2.gz DMZGXXRPQAMGRA-OPRDCNLKSA-N 0 3 214.309 0.620 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CC1(C)C ZINC000343424988 353882226 /nfs/dbraw/zinc/88/22/26/353882226.db2.gz YJVFKRUYARQDAG-IUCAKERBSA-N 0 3 242.319 0.429 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CC1(C)C ZINC000343424987 353882375 /nfs/dbraw/zinc/88/23/75/353882375.db2.gz YJVFKRUYARQDAG-DTWKUNHWSA-N 0 3 242.319 0.429 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CCCN1C ZINC000343432356 353884609 /nfs/dbraw/zinc/88/46/09/353884609.db2.gz IVZWEVJOKINILJ-VWYCJHECSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1C ZINC000343432325 353884676 /nfs/dbraw/zinc/88/46/76/353884676.db2.gz IPXFXBDPHIDLNS-MWLCHTKSSA-N 0 3 249.314 1.000 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NC1CCCC1 ZINC000343437473 353886846 /nfs/dbraw/zinc/88/68/46/353886846.db2.gz IMVFQCUAWZMPHT-SECBINFHSA-N 0 3 228.292 0.326 20 0 BCADHN COC[C@H](C)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343446344 353890996 /nfs/dbraw/zinc/89/09/96/353890996.db2.gz OLPUQCPJCDKEQZ-GARJFASQSA-N 0 3 228.336 0.868 20 0 BCADHN CCN(CCC[C@@H]1CCO1)[C@H]1CCNC1=O ZINC000639135680 353844896 /nfs/dbraw/zinc/84/48/96/353844896.db2.gz HGEXPOMMMMZTOJ-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N(C)CCC(N)=O ZINC000343455220 353894696 /nfs/dbraw/zinc/89/46/96/353894696.db2.gz SHXZUFHHOFJUSL-JTQLQIEISA-N 0 3 241.335 0.195 20 0 BCADHN CCC[C@@H](CN(C)CCOCCO)OC ZINC000639140243 353848737 /nfs/dbraw/zinc/84/87/37/353848737.db2.gz TYZSIUVZMSZDTG-NSHDSACASA-N 0 3 219.325 0.742 20 0 BCADHN Nc1ncc(CNCCCOC(F)F)c(N)n1 ZINC000639141301 353849556 /nfs/dbraw/zinc/84/95/56/353849556.db2.gz FASYSRXYTJETQS-UHFFFAOYSA-N 0 3 247.249 0.021 20 0 BCADHN CO[C@@H](CN[C@@H](C)C(=O)NCCF)C1CC1 ZINC000639137604 353854546 /nfs/dbraw/zinc/85/45/46/353854546.db2.gz DSHSBTDQPSCTGZ-WPRPVWTQSA-N 0 3 232.299 0.475 20 0 BCADHN CC[C@@H](C(=O)N(C)CCC(N)=O)N(CC)CC ZINC000343496388 353912362 /nfs/dbraw/zinc/91/23/62/353912362.db2.gz VKZOYEOXMSZGMP-JTQLQIEISA-N 0 3 243.351 0.441 20 0 BCADHN CS[C@H](C)C(=O)NCC1(O)CCN(C)CC1 ZINC000343542174 353917486 /nfs/dbraw/zinc/91/74/86/353917486.db2.gz DSICTEKDWRLXHM-SECBINFHSA-N 0 3 246.376 0.311 20 0 BCADHN CCCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000343639218 353950991 /nfs/dbraw/zinc/95/09/91/353950991.db2.gz FKBOSOOLZKFZAD-UHFFFAOYSA-N 0 3 239.363 0.636 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@@](C)(C(N)=O)C1 ZINC000334535575 353920767 /nfs/dbraw/zinc/92/07/67/353920767.db2.gz SWJRKWULWMTOPZ-LDYMZIIASA-N 0 3 227.308 0.710 20 0 BCADHN CN(C)C(=O)CCN1CCN(C2CC2)CC1 ZINC000343506557 353921812 /nfs/dbraw/zinc/92/18/12/353921812.db2.gz LQKROPSCBQENGC-UHFFFAOYSA-N 0 3 225.336 0.245 20 0 BCADHN COCC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343511823 353922652 /nfs/dbraw/zinc/92/26/52/353922652.db2.gz JAGPZCAWFZUQSL-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NC[C@H](C)SC ZINC000343530723 353928744 /nfs/dbraw/zinc/92/87/44/353928744.db2.gz OWLOJJITKVDPIY-JGVFFNPUSA-N 0 3 248.348 0.135 20 0 BCADHN C[C@@H]1C[C@H](O)CN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000343615088 353934476 /nfs/dbraw/zinc/93/44/76/353934476.db2.gz CJQBREDYMPURAK-XQHKEYJVSA-N 0 3 240.347 0.305 20 0 BCADHN COC(=O)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC000343562320 353935092 /nfs/dbraw/zinc/93/50/92/353935092.db2.gz JVFQGCZXKDUJMC-SNVBAGLBSA-N 0 3 242.319 0.348 20 0 BCADHN CCCN1CCC[C@@H]1CNC(=O)C1CC(=O)C1 ZINC000343566603 353936172 /nfs/dbraw/zinc/93/61/72/353936172.db2.gz ILUKLBSUUYBBED-LLVKDONJSA-N 0 3 238.331 0.956 20 0 BCADHN C[C@H]1CN(CCN2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1O ZINC000343578283 353938795 /nfs/dbraw/zinc/93/87/95/353938795.db2.gz FBVFNGQBYGIDBH-RVMXOQNASA-N 0 3 240.347 0.162 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N[C@@H](C)CSC ZINC000343475679 353901594 /nfs/dbraw/zinc/90/15/94/353901594.db2.gz FUJVLOHZUVUJBU-JGVFFNPUSA-N 0 3 248.348 0.135 20 0 BCADHN CCC(CC)CNC(=O)[C@H](N)CCC(=O)OC ZINC000343479779 353904043 /nfs/dbraw/zinc/90/40/43/353904043.db2.gz GMZSFDMBDOBGPE-SNVBAGLBSA-N 0 3 244.335 0.819 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](CO)CC1CC1 ZINC000619043957 363281568 /nfs/dbraw/zinc/28/15/68/363281568.db2.gz NUWNLNDERSWITE-LBPRGKRZSA-N 0 3 242.363 0.853 20 0 BCADHN CC[C@@H](C)N(C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000343788346 353994042 /nfs/dbraw/zinc/99/40/42/353994042.db2.gz AHILBPGSKNFRBI-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN O[C@H]1CN(CCn2cccn2)CC12CC2 ZINC000334552719 353994515 /nfs/dbraw/zinc/99/45/15/353994515.db2.gz BZWQNWKRTOOQFU-JTQLQIEISA-N 0 3 207.277 0.340 20 0 BCADHN CCCN(CC)[C@H](C)C(=O)NC(N)=O ZINC000343652039 353954526 /nfs/dbraw/zinc/95/45/26/353954526.db2.gz LDCFUZKSZLARIY-SSDOTTSWSA-N 0 3 201.270 0.302 20 0 BCADHN OC[C@H]1CSCCN1CCn1ccnc1 ZINC000343715937 353957091 /nfs/dbraw/zinc/95/70/91/353957091.db2.gz QZHVZMYRFQSBRC-JTQLQIEISA-N 0 3 227.333 0.293 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)C(C)(C)C)CCN1CCO ZINC000343681873 353962816 /nfs/dbraw/zinc/96/28/16/353962816.db2.gz GPCMGHOWPKIDNC-VXGBXAGGSA-N 0 3 244.379 0.392 20 0 BCADHN C[C@@H]1CN(C[C@H](O)C(C)(C)C)CCN1CCO ZINC000343681870 353963087 /nfs/dbraw/zinc/96/30/87/353963087.db2.gz GPCMGHOWPKIDNC-NEPJUHHUSA-N 0 3 244.379 0.392 20 0 BCADHN CN(CCC(N)=O)Cc1ccc(=O)[nH]c1 ZINC000639166014 354003344 /nfs/dbraw/zinc/00/33/44/354003344.db2.gz VWJIZBBOYJCJKY-UHFFFAOYSA-N 0 3 209.249 0.094 20 0 BCADHN CCC1(O)CCN(C[C@](C)(O)C(=O)OC)CC1 ZINC000343800043 354003852 /nfs/dbraw/zinc/00/38/52/354003852.db2.gz RNBOJSFLRGLBHM-NSHDSACASA-N 0 3 245.319 0.147 20 0 BCADHN CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000334557764 354004983 /nfs/dbraw/zinc/00/49/83/354004983.db2.gz NSRCFHMRSUDVLI-NSHDSACASA-N 0 3 211.309 0.744 20 0 BCADHN C[C@H]1CC[C@H]1NCc1cnc(N)nc1N ZINC000639166315 354009196 /nfs/dbraw/zinc/00/91/96/354009196.db2.gz HMMPPONDZILBGZ-POYBYMJQSA-N 0 3 207.281 0.190 20 0 BCADHN CN(C)CC(=O)NC1(CN(C)C)CCC1 ZINC000343814130 354012401 /nfs/dbraw/zinc/01/24/01/354012401.db2.gz IHYQOFXHRFDUJC-UHFFFAOYSA-N 0 3 213.325 0.149 20 0 BCADHN C[C@H](CNCc1cn(C)nn1)Cn1ccnc1 ZINC000343815192 354013259 /nfs/dbraw/zinc/01/32/59/354013259.db2.gz XTCAJUPNHJKJTI-SNVBAGLBSA-N 0 3 234.307 0.438 20 0 BCADHN CCN(CC)CC(=O)N(C)C[C@@H](C)OC ZINC000343874105 354029215 /nfs/dbraw/zinc/02/92/15/354029215.db2.gz VZKPVUOBKCHOCH-SNVBAGLBSA-N 0 3 216.325 0.822 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H](C(=O)OC)C1)N(C)C ZINC000338205596 188544739 /nfs/dbraw/zinc/54/47/39/188544739.db2.gz OLIIECGTVSJGMU-ZJUUUORDSA-N 0 3 242.319 0.348 20 0 BCADHN C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343987401 354061719 /nfs/dbraw/zinc/06/17/19/354061719.db2.gz PNGFOCLWGYICMR-WOPDTQHZSA-N 0 3 237.347 0.291 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CC[C@@](F)(CO)C1 ZINC000343973628 354078442 /nfs/dbraw/zinc/07/84/42/354078442.db2.gz PMYLZYUNBAEJJU-ONGXEEELSA-N 0 3 219.300 0.800 20 0 BCADHN COCC[C@@H](CO)NC(=O)[C@@H](C(C)C)N(C)C ZINC000343935159 354046533 /nfs/dbraw/zinc/04/65/33/354046533.db2.gz XOLHQRARUZAKCO-WDEREUQCSA-N 0 3 246.351 0.086 20 0 BCADHN CS[C@@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000334579976 354128612 /nfs/dbraw/zinc/12/86/12/354128612.db2.gz JVIYEVQIIQBPNB-NKWVEPMBSA-N 0 3 238.303 0.851 20 0 BCADHN CS[C@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000334579977 354128948 /nfs/dbraw/zinc/12/89/48/354128948.db2.gz JVIYEVQIIQBPNB-RNFRBKRXSA-N 0 3 238.303 0.851 20 0 BCADHN CCC[C@](C)(O)CNC(=O)[C@H](N)C(C)C ZINC000230698962 363321278 /nfs/dbraw/zinc/32/12/78/363321278.db2.gz XDDCXCOBVCPDLJ-KOLCDFICSA-N 0 3 216.325 0.637 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC(F)(F)C(F)F ZINC000230694002 363321755 /nfs/dbraw/zinc/32/17/55/363321755.db2.gz HKRFDYPQYUZHJV-YFKPBYRVSA-N 0 3 230.205 0.986 20 0 BCADHN C[C@H]1CN(C(=O)NC[C@H]2CNCCO2)C[C@H]1C ZINC000418771507 358483146 /nfs/dbraw/zinc/48/31/46/358483146.db2.gz ROYHTNFGOFYKDR-OUAUKWLOSA-N 0 3 241.335 0.272 20 0 BCADHN Cn1nccc1CCN1CCC[C@@H](O)C1 ZINC000230886408 363326639 /nfs/dbraw/zinc/32/66/39/363326639.db2.gz CISKFEJAZJHBIW-LLVKDONJSA-N 0 3 209.293 0.419 20 0 BCADHN Cn1nccc1CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344040591 354106633 /nfs/dbraw/zinc/10/66/33/354106633.db2.gz VOJDQAXGVCNYSH-DLOVCJGASA-N 0 3 221.304 0.623 20 0 BCADHN CN1CCC(C(=O)N2CCCN(C)CC2)CC1 ZINC000344005807 354112272 /nfs/dbraw/zinc/11/22/72/354112272.db2.gz DSJBJUPNYKGSOC-UHFFFAOYSA-N 0 3 239.363 0.492 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CNCCC2(F)F)[nH]n1 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354569859 /nfs/dbraw/zinc/56/98/59/354569859.db2.gz VNOKJYGJUHRJRN-KOLCDFICSA-N 0 3 207.277 0.811 20 0 BCADHN Cc1c[nH]nc1CN1C[C@H]2CCN(C)[C@H]2C1 ZINC000334769644 354591121 /nfs/dbraw/zinc/59/11/21/354591121.db2.gz HYPPVJBLLDOHRZ-PWSUYJOCSA-N 0 3 220.320 0.854 20 0 BCADHN CCOC[C@H](O)CN1CC(C)(CCOC)C1 ZINC000345477543 354664874 /nfs/dbraw/zinc/66/48/74/354664874.db2.gz JJAXOOWRJZDVQB-LLVKDONJSA-N 0 3 231.336 0.742 20 0 BCADHN CCC[C@H](CN(CCC)CC(N)=O)OC ZINC000639204654 354647700 /nfs/dbraw/zinc/64/77/00/354647700.db2.gz VFWMQTYDOKOMEQ-SNVBAGLBSA-N 0 3 216.325 0.999 20 0 BCADHN CO[C@@H](CNC1COCCOC1)[C@H]1CCOC1 ZINC000639201404 354605369 /nfs/dbraw/zinc/60/53/69/354605369.db2.gz VFZZJRYADHXLEI-JQWIXIFHSA-N 0 3 245.319 0.043 20 0 BCADHN CC[C@H](C)[C@H](O)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345322591 354610512 /nfs/dbraw/zinc/61/05/12/354610512.db2.gz PRFFBXPVLXHUJB-YFKTTZPYSA-N 0 3 242.363 0.992 20 0 BCADHN CO[C@@H](CN[C@@H](C)CF)[C@H]1CCOC1 ZINC000639204939 354662694 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235.274 0.971 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)C[C@H]1CCOC1 ZINC000351968226 134024815 /nfs/dbraw/zinc/02/48/15/134024815.db2.gz PLFVMYPTCZAULR-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN COc1ncccc1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000379441746 358493316 /nfs/dbraw/zinc/49/33/16/358493316.db2.gz SLERWKHDUDTJMM-UWVGGRQHSA-N 0 3 249.314 0.913 20 0 BCADHN COc1ncccc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000379441951 358492833 /nfs/dbraw/zinc/49/28/33/358492833.db2.gz SLERWKHDUDTJMM-ZJUUUORDSA-N 0 3 249.314 0.913 20 0 BCADHN C[C@@H]1CN(CCOCCO)[C@H](C)CN1C ZINC000351942508 134025153 /nfs/dbraw/zinc/02/51/53/134025153.db2.gz AVBBGRMQBPFNGM-GHMZBOCLSA-N 0 3 216.325 0.020 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CN(C)C ZINC000335206420 355042017 /nfs/dbraw/zinc/04/20/17/355042017.db2.gz BJIPLUKUQMPXFK-VHSXEESVSA-N 0 3 213.325 0.099 20 0 BCADHN CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000335206534 355042264 /nfs/dbraw/zinc/04/22/64/355042264.db2.gz NMAMRRZTTUNAOX-VIFPVBQESA-N 0 3 217.338 0.353 20 0 BCADHN C[C@H](F)CCN1CCCNC(=O)[C@@H]1C ZINC000335206885 355042980 /nfs/dbraw/zinc/04/29/80/355042980.db2.gz LDNGPCRANSZXBI-IUCAKERBSA-N 0 3 202.273 0.945 20 0 BCADHN CC[C@@H](COC)NC(=O)C1CCN(C)CC1 ZINC000346665021 355006744 /nfs/dbraw/zinc/00/67/44/355006744.db2.gz PMWBJZGSEYOQKK-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN COCCOCCN1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000346668591 355007209 /nfs/dbraw/zinc/00/72/09/355007209.db2.gz UNDSIWGOSFZGTN-WDEREUQCSA-N 0 3 245.319 0.533 20 0 BCADHN COC(=O)[C@@H]1CCN(Cc2cnn(C)c2)[C@@H]1C ZINC000346686192 355012573 /nfs/dbraw/zinc/01/25/73/355012573.db2.gz JJPUODCNYKDGIW-MWLCHTKSSA-N 0 3 237.303 0.804 20 0 BCADHN C[C@H](N[C@H](CO)c1cnn(C)c1)[C@H]1CCCO1 ZINC000346637648 355014672 /nfs/dbraw/zinc/01/46/72/355014672.db2.gz PHLVQYGKXSCTRW-MVWJERBFSA-N 0 3 239.319 0.611 20 0 BCADHN C[C@@H]1NC(=O)N(CCN2CCC[C@@H](C)C2)C1=O ZINC000335962844 134027217 /nfs/dbraw/zinc/02/72/17/134027217.db2.gz VTEFARMJAXQMIY-ZJUUUORDSA-N 0 3 239.319 0.659 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)C1(O)CCCC1 ZINC000335230380 355073129 /nfs/dbraw/zinc/07/31/29/355073129.db2.gz HTHLQPMSUDCNBL-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H]1[C@@H](CO)CCCN1CC(=O)N(C)C ZINC000335182611 355080500 /nfs/dbraw/zinc/08/05/00/355080500.db2.gz XHANFRRYRVLMBH-VHSXEESVSA-N 0 3 214.309 0.167 20 0 BCADHN C[C@H]1[C@H](CO)CCCN1CC(=O)N1CCCC1 ZINC000335182882 355081354 /nfs/dbraw/zinc/08/13/54/355081354.db2.gz ZPODGCMNWWYAHO-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN CO[C@@]1(C)CCCN(CC(=O)N(C)C)CC1 ZINC000335183466 355081909 /nfs/dbraw/zinc/08/19/09/355081909.db2.gz SXCVQPWAEZRHPD-LBPRGKRZSA-N 0 3 228.336 0.966 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC000412835635 191318263 /nfs/dbraw/zinc/31/82/63/191318263.db2.gz HVWUDXRQXDGJTE-GHMZBOCLSA-N 0 3 236.319 0.655 20 0 BCADHN C[C@H]1CN(C2CCC2)CCN(S(C)(=O)=O)C1 ZINC000335221388 355061823 /nfs/dbraw/zinc/06/18/23/355061823.db2.gz ZPMTVBVFNFKVSI-JTQLQIEISA-N 0 3 246.376 0.752 20 0 BCADHN CCN1CC[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC000412836958 191319061 /nfs/dbraw/zinc/31/90/61/191319061.db2.gz GUWGWZQXOBRRNR-JTQLQIEISA-N 0 3 234.303 0.609 20 0 BCADHN CCN1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC000412852406 191321292 /nfs/dbraw/zinc/32/12/92/191321292.db2.gz XFWUINKIIFJNIF-JTQLQIEISA-N 0 3 222.292 0.094 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)C(=O)NC)N(CC)CC ZINC000346812320 355121958 /nfs/dbraw/zinc/12/19/58/355121958.db2.gz STJGTYJMUTWEBJ-UWVGGRQHSA-N 0 3 243.351 0.358 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000412876465 191323790 /nfs/dbraw/zinc/32/37/90/191323790.db2.gz KKBHVXZJELQFHQ-QCNOEVLYSA-N 0 3 238.331 0.764 20 0 BCADHN COCC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000346733243 355089741 /nfs/dbraw/zinc/08/97/41/355089741.db2.gz UPJJCAUVORKYGT-LLVKDONJSA-N 0 3 244.335 0.202 20 0 BCADHN C[C@H](O)[C@@H]1CCN(CC(=O)N(C)C2CC2)C1 ZINC000166073945 355095374 /nfs/dbraw/zinc/09/53/74/355095374.db2.gz YJUHLDOSWOUNME-VHSXEESVSA-N 0 3 226.320 0.310 20 0 BCADHN CC(C)NS(=O)(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000351999674 134033566 /nfs/dbraw/zinc/03/35/66/134033566.db2.gz MABSXXNGIOQWOF-UWVGGRQHSA-N 0 3 249.380 0.302 20 0 BCADHN C[C@H](CCO)NC(=O)CC1CCN(C)CC1 ZINC000346904675 355150211 /nfs/dbraw/zinc/15/02/11/355150211.db2.gz XBTNHWVDHWVSHX-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CCN1CC[C@H](NC(=O)Cn2ccc(C)n2)C1 ZINC000412878392 191325612 /nfs/dbraw/zinc/32/56/12/191325612.db2.gz NRBSRUSYTCRLRW-NSHDSACASA-N 0 3 236.319 0.402 20 0 BCADHN Nc1ncc(CN2C[C@@H]3CCCC[C@@H]3C2)c(N)n1 ZINC000639230373 355158023 /nfs/dbraw/zinc/15/80/23/355158023.db2.gz MYMLFMFMAOQFFK-AOOOYVTPSA-N 0 3 247.346 0.924 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000412921513 191326882 /nfs/dbraw/zinc/32/68/82/191326882.db2.gz WKBJJIXPOYJCQK-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000412924524 191326940 /nfs/dbraw/zinc/32/69/40/191326940.db2.gz ZYOQKBAOYGMAHU-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@@H](N)CC(C)C)C1 ZINC000040503605 358494373 /nfs/dbraw/zinc/49/43/73/358494373.db2.gz GHTHKXZUQYQZOI-NEPJUHHUSA-N 0 3 241.379 0.960 20 0 BCADHN CO[C@H](C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000347001920 355199735 /nfs/dbraw/zinc/19/97/35/355199735.db2.gz BMOIVOAWYVLRGD-MWLCHTKSSA-N 0 3 226.320 0.716 20 0 BCADHN Cn1nccc1CN1CCNC[C@@](C)(F)C1 ZINC000335259926 355200657 /nfs/dbraw/zinc/20/06/57/355200657.db2.gz YILNRLWMOSXMSZ-LLVKDONJSA-N 0 3 226.299 0.554 20 0 BCADHN CN1CCC(CC(=O)NCC2(O)CCC2)CC1 ZINC000347014711 355205856 /nfs/dbraw/zinc/20/58/56/355205856.db2.gz MVWMCNOREJVTIB-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN NC(=O)CCCC(=O)NCCN1CCCCC1 ZINC000347590991 355248849 /nfs/dbraw/zinc/24/88/49/355248849.db2.gz YOKPTIMLGCGWLN-UHFFFAOYSA-N 0 3 241.335 0.244 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000347627319 355240432 /nfs/dbraw/zinc/24/04/32/355240432.db2.gz ZWDOGGFJQYIIBH-ZMLRMANQSA-N 0 3 238.331 0.764 20 0 BCADHN CC[C@H](CN1CCN([C@@H](CC)CO)CC1)OC ZINC000412980125 191350593 /nfs/dbraw/zinc/35/05/93/191350593.db2.gz WFYOVDGDNJMZAA-QWHCGFSZSA-N 0 3 244.379 0.800 20 0 BCADHN CC[C@@H](C)[C@@H](CN1C[C@@H](O)[C@H](OC)C1)OC ZINC000639246690 355275043 /nfs/dbraw/zinc/27/50/43/355275043.db2.gz HPLPURANCCFMKG-DDHJBXDOSA-N 0 3 231.336 0.739 20 0 BCADHN C[C@@H](O)[C@@H](CO)Nc1ccnc2ccccc21 ZINC000413451515 191385856 /nfs/dbraw/zinc/38/58/56/191385856.db2.gz MOPGLTUGPIGUMI-NOZJJQNGSA-N 0 3 232.283 0.810 20 0 BCADHN C[C@H]1OCC[C@]1(C)NCC(=O)N(C)C ZINC000235638009 363449735 /nfs/dbraw/zinc/44/97/35/363449735.db2.gz MJVQADKTKWXWDR-SCZZXKLOSA-N 0 3 200.282 0.232 20 0 BCADHN CC(C)(O)C1CN(Cc2ccc(=O)[nH]c2)C1 ZINC000639252678 355289366 /nfs/dbraw/zinc/28/93/66/355289366.db2.gz PGYAOIYLQVFKAT-UHFFFAOYSA-N 0 3 222.288 0.990 20 0 BCADHN CC[C@H](C(=O)N(CC)[C@H]1CCOC1)N(C)C ZINC000413821161 191410856 /nfs/dbraw/zinc/41/08/56/191410856.db2.gz IKVXJIRHRFKFIC-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CN(Cc1ccon1)C(=O)CCOC1CNC1 ZINC000348989117 355337010 /nfs/dbraw/zinc/33/70/10/355337010.db2.gz BXOOMUDMBNISFD-UHFFFAOYSA-N 0 3 239.275 0.012 20 0 BCADHN C=Cn1cc(CN(C)CCN(C)C)cn1 ZINC000348922292 355331877 /nfs/dbraw/zinc/33/18/77/355331877.db2.gz PXRXRARCMFRXKQ-UHFFFAOYSA-N 0 3 208.309 0.977 20 0 BCADHN CCNC(=O)C1CN(C[C@](C)(OC)C2CC2)C1 ZINC000639251779 355284951 /nfs/dbraw/zinc/28/49/51/355284951.db2.gz WJGIMAURWUOKJL-ZDUSSCGKSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@@H](O)CCCNC(=O)[C@@H]1CCCCN1 ZINC000398498823 355367852 /nfs/dbraw/zinc/36/78/52/355367852.db2.gz WPPRWYSZBYSFQK-MNOVXSKESA-N 0 3 228.336 0.796 20 0 BCADHN Nc1ncc(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)c(N)n1 ZINC000639286161 355393355 /nfs/dbraw/zinc/39/33/55/355393355.db2.gz ARVYUWZINUOLNX-NQMVMOMDSA-N 0 3 233.319 0.580 20 0 BCADHN CC[C@@H](C)[C@@H](CN1CC(C)(C(N)=O)C1)OC ZINC000639283961 355380742 /nfs/dbraw/zinc/38/07/42/355380742.db2.gz YPIVAARUAIAORY-NXEZZACHSA-N 0 3 228.336 0.855 20 0 BCADHN CN(Cc1nc[nH]n1)C(=O)[C@@H]1CCCCN1C ZINC000608375102 355387625 /nfs/dbraw/zinc/38/76/25/355387625.db2.gz STTJJECFUGATNG-VIFPVBQESA-N 0 3 237.307 0.247 20 0 BCADHN CN(Cc1nnc[n-]1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000608375102 355387628 /nfs/dbraw/zinc/38/76/28/355387628.db2.gz STTJJECFUGATNG-VIFPVBQESA-N 0 3 237.307 0.247 20 0 BCADHN CN(Cc1nnc[n-]1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000608375102 355387630 /nfs/dbraw/zinc/38/76/30/355387630.db2.gz STTJJECFUGATNG-VIFPVBQESA-N 0 3 237.307 0.247 20 0 BCADHN CN(Cc1nnc[nH]1)C(=O)[C@@H]1CCCCN1C ZINC000608375102 355387632 /nfs/dbraw/zinc/38/76/32/355387632.db2.gz STTJJECFUGATNG-VIFPVBQESA-N 0 3 237.307 0.247 20 0 BCADHN C[C@@H]1[C@H](C)CN(Cc2cnc(N)nc2N)[C@H]1C ZINC000639270400 355338502 /nfs/dbraw/zinc/33/85/02/355338502.db2.gz GJVUIUHFDSHMOH-HLTSFMKQSA-N 0 3 235.335 0.778 20 0 BCADHN Cc1ncc(CNC[C@H]2COCCO2)n1C ZINC000583511138 355347917 /nfs/dbraw/zinc/34/79/17/355347917.db2.gz RCWNZCPTJCONTD-NSHDSACASA-N 0 3 225.292 0.234 20 0 BCADHN CO[C@@]1(CN2CC[C@@H](NC(C)=O)C2)CCOC1 ZINC000639275813 355352391 /nfs/dbraw/zinc/35/23/91/355352391.db2.gz XNRNPMMOEYDWPC-VXGBXAGGSA-N 0 3 242.319 0.002 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)CC(C)(C)C1 ZINC000335991905 134040724 /nfs/dbraw/zinc/04/07/24/134040724.db2.gz ACYCQBJREFOUET-DTWKUNHWSA-N 0 3 241.335 0.938 20 0 BCADHN CCONC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000166423197 355416751 /nfs/dbraw/zinc/41/67/51/355416751.db2.gz KDQMPFVXZOLYFC-JTQLQIEISA-N 0 3 227.308 0.818 20 0 BCADHN CN1CCN(C[C@@H]2CCCOC2)C(C)(C)C1=O ZINC000335789971 355441688 /nfs/dbraw/zinc/44/16/88/355441688.db2.gz CXJHPTGRMUFBGA-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCNC(=O)CN1CCC[C@@H]2COCC[C@@H]21 ZINC000335801496 355494982 /nfs/dbraw/zinc/49/49/82/355494982.db2.gz LLCRZHZCPOYALE-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN Cc1ncc(CNC[C@H]2C[C@@H](O)C2)cn1 ZINC000623750482 355460648 /nfs/dbraw/zinc/46/06/48/355460648.db2.gz JJAMPBVETCUELE-JGZJWPJOSA-N 0 3 207.277 0.646 20 0 BCADHN CC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000335809035 355482738 /nfs/dbraw/zinc/48/27/38/355482738.db2.gz YJHNEQHKQVHIAJ-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN CCC[C@@H](C)NC(=O)COC1(C)CNC1 ZINC000163074610 491080645 /nfs/dbraw/zinc/08/06/45/491080645.db2.gz KIEXIDCNEXVWAB-SECBINFHSA-N 0 3 214.309 0.670 20 0 BCADHN CN(C[C@H]1CCCOC1)C(=O)[C@@H]1CCCN1C ZINC000335827316 355552707 /nfs/dbraw/zinc/55/27/07/355552707.db2.gz KYOJDGLAUOJVGX-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCCCOCCN1C[C@@H](O)C[C@H]1CO ZINC000352033049 134045212 /nfs/dbraw/zinc/04/52/12/134045212.db2.gz QDGKWDFNFKFCIP-QWRGUYRKSA-N 0 3 217.309 0.231 20 0 BCADHN CCN1CCCN(C[C@H]2CCCOC2)CC1=O ZINC000335856280 355601763 /nfs/dbraw/zinc/60/17/63/355601763.db2.gz XSRYSEYLDKVNJL-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN OCc1ccc(CN[C@@H](CO)CCF)cc1 ZINC000639297466 355603430 /nfs/dbraw/zinc/60/34/30/355603430.db2.gz WKWPZZLQECMDRH-GFCCVEGCSA-N 0 3 227.279 0.989 20 0 BCADHN CC(C)N(Cc1ccc(=O)[nH]c1)C[C@@H](O)CO ZINC000639298636 355614655 /nfs/dbraw/zinc/61/46/55/355614655.db2.gz YDFJBTLSTFLCNP-LLVKDONJSA-N 0 3 240.303 0.351 20 0 BCADHN CO[C@@](C)(CO)CNCc1ccc(CO)cc1 ZINC000639295443 355579557 /nfs/dbraw/zinc/57/95/57/355579557.db2.gz ISEWFEIIBUIFCO-CYBMUJFWSA-N 0 3 239.315 0.666 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)Nc2ncc(C)s2)C1 ZINC000040630527 358497199 /nfs/dbraw/zinc/49/71/99/358497199.db2.gz MUABCIFYZAXOSO-JGVFFNPUSA-N 0 3 241.316 0.767 20 0 BCADHN CC(C)[C@H](O)CCNC[C@H](O)C(F)(F)F ZINC000583565037 355646632 /nfs/dbraw/zinc/64/66/32/355646632.db2.gz NWQCXDQFHASCFN-SFYZADRCSA-N 0 3 229.242 0.906 20 0 BCADHN CN(C)C1(CNC(=O)c2ccncc2)CC1 ZINC000416286692 191730869 /nfs/dbraw/zinc/73/08/69/191730869.db2.gz BLLHRQDWEPXCJT-UHFFFAOYSA-N 0 3 219.288 0.906 20 0 BCADHN CCn1nnc(C)c1CN[C@H]1CCC[C@@H]1O ZINC000631251507 355653740 /nfs/dbraw/zinc/65/37/40/355653740.db2.gz WNBLXOUCRHJTGS-ONGXEEELSA-N 0 3 224.308 0.609 20 0 BCADHN C[C@@H]1NCCN(C(=O)NC[C@@H]2CCCO2)[C@H]1C ZINC000416437483 191745381 /nfs/dbraw/zinc/74/53/81/191745381.db2.gz MGMNARDAMILEDE-DCAQKATOSA-N 0 3 241.335 0.557 20 0 BCADHN CCn1cc(CNCCC[C@H]2CCO2)nn1 ZINC000639309028 355664325 /nfs/dbraw/zinc/66/43/25/355664325.db2.gz GONTUTXSQZUDGM-NSHDSACASA-N 0 3 224.308 0.957 20 0 BCADHN COCCC(C)(C)CNC(=O)COC1CNC1 ZINC000582180092 355618334 /nfs/dbraw/zinc/61/83/34/355618334.db2.gz VGVNHLOOPOQVHV-UHFFFAOYSA-N 0 3 244.335 0.154 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000389081758 355619403 /nfs/dbraw/zinc/61/94/03/355619403.db2.gz YVTYOBSCBYLPIB-OPRDCNLKSA-N 0 3 214.309 0.655 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000389081747 355619676 /nfs/dbraw/zinc/61/96/76/355619676.db2.gz YVTYOBSCBYLPIB-AEJSXWLSSA-N 0 3 214.309 0.655 20 0 BCADHN CC(C)N(C(=O)[C@@H]1CCN(C)C1)[C@H]1CCOC1 ZINC000335861747 355625374 /nfs/dbraw/zinc/62/53/74/355625374.db2.gz CEVNTFVZLWOTLB-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@H](F)CN1CC[C@@]2(CNC(=O)C2)C1 ZINC000335862777 355626098 /nfs/dbraw/zinc/62/60/98/355626098.db2.gz FVQCXBYTLRPXKN-GXSJLCMTSA-N 0 3 214.284 0.947 20 0 BCADHN Cn1nnc2c1CC[C@@H](NCc1ccns1)C2 ZINC000639299602 355629470 /nfs/dbraw/zinc/62/94/70/355629470.db2.gz SXIOYDKJIMENEW-MRVPVSSYSA-N 0 3 249.343 0.919 20 0 BCADHN O=C1NCC[C@H]1CCN1CC[C@H](OC(F)F)C1 ZINC000582189155 355693573 /nfs/dbraw/zinc/69/35/73/355693573.db2.gz HPVPNJFPHFBMLS-IUCAKERBSA-N 0 3 248.273 0.826 20 0 BCADHN CO[C@@]1(CN(C)C[C@H]2COCCO2)CCOC1 ZINC000639314119 355701663 /nfs/dbraw/zinc/70/16/63/355701663.db2.gz GINVVOOJDTWBNI-NWDGAFQWSA-N 0 3 245.319 0.139 20 0 BCADHN CO[C@@H](CN)C(=O)N1Cc2ccccc2C[C@@H]1C ZINC000336007947 134049838 /nfs/dbraw/zinc/04/98/38/134049838.db2.gz JEYCJYDKRCKVIH-GWCFXTLKSA-N 0 3 248.326 0.934 20 0 BCADHN C[C@H](Cc1cnn(C)c1)NCc1nccn1C ZINC000350509936 355714322 /nfs/dbraw/zinc/71/43/22/355714322.db2.gz AJKPRZUVQVNANG-SNVBAGLBSA-N 0 3 233.319 0.874 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H](O)C1)N(CC)CC ZINC000350513367 355715455 /nfs/dbraw/zinc/71/54/55/355715455.db2.gz PDERZPOPQBZDGI-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN CCCN(Cc1cnc(N)nc1N)C(C)C ZINC000639312081 355674104 /nfs/dbraw/zinc/67/41/04/355674104.db2.gz JCLBKKWLTZOSQZ-UHFFFAOYSA-N 0 3 223.324 0.922 20 0 BCADHN NC(=O)c1cccc(NC(=O)[C@H]2CCN2)c1 ZINC000336597290 181206165 /nfs/dbraw/zinc/20/61/65/181206165.db2.gz XLMHIYHUHKXASV-SECBINFHSA-N 0 3 219.244 0.870 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1C(=O)CN(C)C ZINC000336003231 134048008 /nfs/dbraw/zinc/04/80/08/134048008.db2.gz JJWBDPDEGAZBFO-NSHDSACASA-N 0 3 227.352 0.347 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2ccc(CN)o2)[C@H]1C ZINC000335894490 355688334 /nfs/dbraw/zinc/68/83/34/355688334.db2.gz JORDCQOUHKRTRC-IUCAKERBSA-N 0 3 237.303 0.561 20 0 BCADHN Cc1nccc(CN(CCO)CC2CC2)n1 ZINC000350701533 355744450 /nfs/dbraw/zinc/74/44/50/355744450.db2.gz QPWYYEIRHGEMGL-UHFFFAOYSA-N 0 3 221.304 0.989 20 0 BCADHN C[C@H](O)C1(NCc2ccc(=O)[nH]c2)CC1 ZINC000639329580 355746007 /nfs/dbraw/zinc/74/60/07/355746007.db2.gz ZIQKXUPBZDHBEA-QMMMGPOBSA-N 0 3 208.261 0.790 20 0 BCADHN CNC(=O)CN(C)CCC[C@@H]1CCO1 ZINC000639332895 355759349 /nfs/dbraw/zinc/75/93/49/355759349.db2.gz QITBYXGDSBUYAC-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN CC(C)CC1(NCc2cnc(N)nc2N)CC1 ZINC000639333764 355764424 /nfs/dbraw/zinc/76/44/24/355764424.db2.gz ANMVFVXGZOSTHV-UHFFFAOYSA-N 0 3 235.335 0.970 20 0 BCADHN CO[C@@H](CC(C)C)CN1CCN(C)C[C@@H]1CO ZINC000639334037 355764467 /nfs/dbraw/zinc/76/44/67/355764467.db2.gz ORUSVDISHJMSEI-OLZOCXBDSA-N 0 3 244.379 0.656 20 0 BCADHN CO[C@H](CC(C)C)CN1CCN(C)C[C@H]1CO ZINC000639334038 355764650 /nfs/dbraw/zinc/76/46/50/355764650.db2.gz ORUSVDISHJMSEI-QWHCGFSZSA-N 0 3 244.379 0.656 20 0 BCADHN CC[C@H](C)[C@H](CN1CCN(C)C[C@@H]1CO)OC ZINC000639334567 355764882 /nfs/dbraw/zinc/76/48/82/355764882.db2.gz SQDRUNIKROFMDA-XQQFMLRXSA-N 0 3 244.379 0.656 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)[C@@H](N)C1CCC1 ZINC000399156134 355770530 /nfs/dbraw/zinc/77/05/30/355770530.db2.gz DDTSSQZXICKEDX-SCZZXKLOSA-N 0 3 214.309 0.343 20 0 BCADHN CN1CCN(CCC2CCOCC2)[C@H](CO)C1 ZINC000639337011 355774512 /nfs/dbraw/zinc/77/45/12/355774512.db2.gz NWGJNMJXUVQCLY-ZDUSSCGKSA-N 0 3 242.363 0.411 20 0 BCADHN COc1cc(CNC2CCOCC2)on1 ZINC000639324755 355723700 /nfs/dbraw/zinc/72/37/00/355723700.db2.gz OOCZICLVOLJMPE-UHFFFAOYSA-N 0 3 212.249 0.952 20 0 BCADHN C[C@@H]1C[C@@H](CN2CCN(C)C[C@H]2CO)CCO1 ZINC000639338376 355779282 /nfs/dbraw/zinc/77/92/82/355779282.db2.gz ZHGXCNKCRQAHNS-AGIUHOORSA-N 0 3 242.363 0.410 20 0 BCADHN CC[C@@H](C)[C@@H](CNCc1cn[nH]n1)OC ZINC000639339689 355780917 /nfs/dbraw/zinc/78/09/17/355780917.db2.gz ANUTXJOPCICBAU-PSASIEDQSA-N 0 3 212.297 0.955 20 0 BCADHN CC[C@@H](C)[C@@H](CNCc1c[nH]nn1)OC ZINC000639339689 355780919 /nfs/dbraw/zinc/78/09/19/355780919.db2.gz ANUTXJOPCICBAU-PSASIEDQSA-N 0 3 212.297 0.955 20 0 BCADHN C[C@@H](C[C@@H]1CCCC(=O)N1)NCc1cn[nH]n1 ZINC000639340390 355781508 /nfs/dbraw/zinc/78/15/08/355781508.db2.gz DSHKFGUBHNUDMW-IUCAKERBSA-N 0 3 237.307 0.342 20 0 BCADHN C[C@H](C[C@H]1CCCC(=O)N1)NCc1cn[nH]n1 ZINC000639340391 355781548 /nfs/dbraw/zinc/78/15/48/355781548.db2.gz DSHKFGUBHNUDMW-RKDXNWHRSA-N 0 3 237.307 0.342 20 0 BCADHN CCC[C@H](CN(C)[C@]1(CO)CCOC1)OC ZINC000639341305 355782585 /nfs/dbraw/zinc/78/25/85/355782585.db2.gz LUDQUOVFSIHHIG-NEPJUHHUSA-N 0 3 231.336 0.885 20 0 BCADHN CN(C(=O)[C@H]1CCN(C)C1)c1ccn(C)n1 ZINC000336023126 134056400 /nfs/dbraw/zinc/05/64/00/134056400.db2.gz MZVVRIBGBSOSGH-VIFPVBQESA-N 0 3 222.292 0.335 20 0 BCADHN CC[C@](C)(CN(C)[C@]1(CO)CCOC1)OC ZINC000639342267 355784918 /nfs/dbraw/zinc/78/49/18/355784918.db2.gz UCBZYLSLLJBCDK-NEPJUHHUSA-N 0 3 231.336 0.885 20 0 BCADHN COc1cc(C[C@H](C)NCc2cn[nH]n2)ccn1 ZINC000639342516 355785009 /nfs/dbraw/zinc/78/50/09/355785009.db2.gz WOGDMPKABJIJIV-VIFPVBQESA-N 0 3 247.302 0.929 20 0 BCADHN Cc1cc(CNC[C@H]2COCCN2C)sn1 ZINC000639351289 355798243 /nfs/dbraw/zinc/79/82/43/355798243.db2.gz ADWUHNZHPYPIKR-JTQLQIEISA-N 0 3 241.360 0.872 20 0 BCADHN COC[C@@H](N[C@@H]1CCS(=O)(=O)[C@@H]1C)C1CC1 ZINC000639353354 355802693 /nfs/dbraw/zinc/80/26/93/355802693.db2.gz YOEAOTXANXNIMC-FBIMIBRVSA-N 0 3 247.360 0.577 20 0 BCADHN COc1ncc(CNCC2COC2)s1 ZINC000639355616 355810078 /nfs/dbraw/zinc/81/00/78/355810078.db2.gz WNCSKRKWWUSFDL-UHFFFAOYSA-N 0 3 214.290 0.888 20 0 BCADHN COCCN(C)CCNC(=O)C[C@@H]1CCOC1 ZINC000352067480 134054786 /nfs/dbraw/zinc/05/47/86/134054786.db2.gz JLZUDFXOMVMCOB-NSHDSACASA-N 0 3 244.335 0.107 20 0 BCADHN COCCN(C)CCNC(=O)C[C@H]1CCOC1 ZINC000352067479 134055004 /nfs/dbraw/zinc/05/50/04/134055004.db2.gz JLZUDFXOMVMCOB-LLVKDONJSA-N 0 3 244.335 0.107 20 0 BCADHN Nc1ncc(CN[C@@H]2CCCC23CC3)c(N)n1 ZINC000639361278 355814878 /nfs/dbraw/zinc/81/48/78/355814878.db2.gz VUWCXYDVJIDKAY-SECBINFHSA-N 0 3 233.319 0.724 20 0 BCADHN Cc1nnsc1CN[C@H]1C[C@@H](CO)C1 ZINC000639362262 355817299 /nfs/dbraw/zinc/81/72/99/355817299.db2.gz AGMAKCVOWSGYQK-OCAPTIKFSA-N 0 3 213.306 0.707 20 0 BCADHN CN(CCN1CCCC1=O)CC1(C)COC1 ZINC000608497228 355823692 /nfs/dbraw/zinc/82/36/92/355823692.db2.gz HOYMUCDXWMEMJM-UHFFFAOYSA-N 0 3 226.320 0.577 20 0 BCADHN NC(=O)C1(NCCc2ccccc2F)CC1 ZINC000309599185 181213604 /nfs/dbraw/zinc/21/36/04/181213604.db2.gz VWLDAAOKJCJGDU-UHFFFAOYSA-N 0 3 222.263 0.976 20 0 BCADHN NC(=O)C1(NCCn2cncn2)CCCCC1 ZINC000267998422 181214023 /nfs/dbraw/zinc/21/40/23/181214023.db2.gz MFYIKOXJNACKBQ-UHFFFAOYSA-N 0 3 237.307 0.056 20 0 BCADHN COc1cccc(C[C@@H](C)NCc2cn[nH]n2)n1 ZINC000628363592 355849184 /nfs/dbraw/zinc/84/91/84/355849184.db2.gz PZJCQPRPHRAYQT-SECBINFHSA-N 0 3 247.302 0.929 20 0 BCADHN NC(=O)C1(NCCc2cccnc2)CC1 ZINC000308857372 181214558 /nfs/dbraw/zinc/21/45/58/181214558.db2.gz SNGDMJOIPAFYEI-UHFFFAOYSA-N 0 3 205.261 0.232 20 0 BCADHN C[C@H](NC(=O)C(N)C(F)(F)F)c1cn[nH]c1 ZINC000584349363 355854019 /nfs/dbraw/zinc/85/40/19/355854019.db2.gz QESROEOQAXDWAX-NJGYIYPDSA-N 0 3 236.197 0.477 20 0 BCADHN NC(=O)C1(O)CCN(CCc2ccccc2)CC1 ZINC000050977230 181214970 /nfs/dbraw/zinc/21/49/70/181214970.db2.gz DRGHOGUIRQWWFI-UHFFFAOYSA-N 0 3 248.326 0.541 20 0 BCADHN CN(CC1=CCCOC1)[C@]1(CO)CCOC1 ZINC000628366796 355861641 /nfs/dbraw/zinc/86/16/41/355861641.db2.gz BKHRNBNOHWXFLX-LBPRGKRZSA-N 0 3 227.304 0.416 20 0 BCADHN CO[C@@H](CN[C@@H]1COC[C@@H]1O)CC(C)C ZINC000639363913 355831705 /nfs/dbraw/zinc/83/17/05/355831705.db2.gz UVMRFWINCSXARE-MXWKQRLJSA-N 0 3 217.309 0.397 20 0 BCADHN COC[C@H](OC)C(=O)NCC1=CCN(C)CC1 ZINC000613267723 355911118 /nfs/dbraw/zinc/91/11/18/355911118.db2.gz YIJZXRYLIFEHSW-NSHDSACASA-N 0 3 242.319 0.026 20 0 BCADHN OCCN(CCO)Cc1cc2cccnc2o1 ZINC000628370373 355880517 /nfs/dbraw/zinc/88/05/17/355880517.db2.gz LYWKNLUVTMDPIY-UHFFFAOYSA-N 0 3 236.271 0.614 20 0 BCADHN OCCN(CCO)Cc1cccc2c1CCC2 ZINC000628370287 355880666 /nfs/dbraw/zinc/88/06/66/355880666.db2.gz IOGUOCNJDSSSKO-UHFFFAOYSA-N 0 3 235.327 0.962 20 0 BCADHN OCCN(CCO)Cc1cc2cnccc2o1 ZINC000628370395 355881495 /nfs/dbraw/zinc/88/14/95/355881495.db2.gz NQEQASJTYOCLGG-UHFFFAOYSA-N 0 3 236.271 0.614 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2cocn2)C1 ZINC000608613921 355883631 /nfs/dbraw/zinc/88/36/31/355883631.db2.gz YERUGEHINGVSMS-SECBINFHSA-N 0 3 223.276 0.746 20 0 BCADHN CCN(CCNC(=O)[C@H]1CSCN1)C1CC1 ZINC000167208372 355977179 /nfs/dbraw/zinc/97/71/79/355977179.db2.gz GYWWXNSEHAFSLF-SNVBAGLBSA-N 0 3 243.376 0.249 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[S@@](=O)[C@H](C)C1 ZINC000381294889 355983928 /nfs/dbraw/zinc/98/39/28/355983928.db2.gz FZMDASVKHAGKPT-CEFVDNRUSA-N 0 3 232.349 0.093 20 0 BCADHN COCCN1CC[C@H](NCC2(F)CC2)C1 ZINC000309062485 355985167 /nfs/dbraw/zinc/98/51/67/355985167.db2.gz XNXVOGUQOUGJQH-JTQLQIEISA-N 0 3 216.300 0.799 20 0 BCADHN CCCCCN1CCC(S(N)(=O)=O)CC1 ZINC000367123721 355993491 /nfs/dbraw/zinc/99/34/91/355993491.db2.gz WQMUPXMAMYMWPD-UHFFFAOYSA-N 0 3 234.365 0.930 20 0 BCADHN COCCCC(=O)N1CCN(C)CC[C@@H]1C ZINC000354011647 355950433 /nfs/dbraw/zinc/95/04/33/355950433.db2.gz YASGGYZEOXQJRF-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCCC[C@@H](C)C1 ZINC000248581125 355956752 /nfs/dbraw/zinc/95/67/52/355956752.db2.gz VVHOVRKUSODOBQ-RKDXNWHRSA-N 0 3 227.308 0.692 20 0 BCADHN CC(=O)NC1CCC(NCCF)CC1 ZINC000389316358 355967303 /nfs/dbraw/zinc/96/73/03/355967303.db2.gz QGLYHWDLKSQEPO-UHFFFAOYSA-N 0 3 202.273 0.993 20 0 BCADHN CC1(C)C[C@H](N[C@@H](CO)[C@@H]2CCCO2)CO1 ZINC000418031701 191956445 /nfs/dbraw/zinc/95/64/45/191956445.db2.gz OLYOWFVDFCLVOO-DCAQKATOSA-N 0 3 229.320 0.683 20 0 BCADHN NC(=O)CN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000371549860 181236363 /nfs/dbraw/zinc/23/63/63/181236363.db2.gz BDUBZWXOUPANMO-DGCLKSJQSA-N 0 3 234.299 0.839 20 0 BCADHN NC(=O)CN[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000371549856 181237405 /nfs/dbraw/zinc/23/74/05/181237405.db2.gz BDUBZWXOUPANMO-AAEUAGOBSA-N 0 3 234.299 0.839 20 0 BCADHN C[C@@H]1CCN(CC(=O)N[C@H]2Cc3cncn3C2)C1 ZINC000623258225 356065340 /nfs/dbraw/zinc/06/53/40/356065340.db2.gz LCUCYVPFSSNFPA-MNOVXSKESA-N 0 3 248.330 0.266 20 0 BCADHN CNS(=O)(=O)NC[C@@H](C)CN1CCCCC1 ZINC000351674940 356052885 /nfs/dbraw/zinc/05/28/85/356052885.db2.gz SPGZLFVWNNNRTO-SNVBAGLBSA-N 0 3 249.380 0.162 20 0 BCADHN CN(C)[C@@H](CNC(=O)C1CC(=O)C1)C1CC1 ZINC000351675893 356052948 /nfs/dbraw/zinc/05/29/48/356052948.db2.gz SACJIPCVZBAVNN-NSHDSACASA-N 0 3 224.304 0.422 20 0 BCADHN CN(CCN(C)C1CC1)c1ncnc2n[nH]cc21 ZINC000351539617 356012047 /nfs/dbraw/zinc/01/20/47/356012047.db2.gz BBGNBBZNNXURSI-UHFFFAOYSA-N 0 3 246.318 0.883 20 0 BCADHN C[C@@H]1CCN(CC(=O)N[C@@H]2Cc3cncn3C2)C1 ZINC000623258224 356065086 /nfs/dbraw/zinc/06/50/86/356065086.db2.gz LCUCYVPFSSNFPA-GHMZBOCLSA-N 0 3 248.330 0.266 20 0 BCADHN NC(=O)CN(CCO)C1CCCCC1 ZINC000049854620 181229795 /nfs/dbraw/zinc/22/97/95/181229795.db2.gz CUDLRMJOOYZJQU-UHFFFAOYSA-N 0 3 200.282 0.099 20 0 BCADHN CCN(C(=O)CC(C)(C)O)[C@H]1CCN(C)C1 ZINC000617551092 356106409 /nfs/dbraw/zinc/10/64/09/356106409.db2.gz LBEFMLAHSZLJEY-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN CCN(C(=O)[C@@H]1CO[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000617552133 356107686 /nfs/dbraw/zinc/10/76/86/356107686.db2.gz HNSONUFXUDAKBK-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(C(=O)c1n[nH]cc1C)[C@H]1CCN(C)C1 ZINC000617551701 356108619 /nfs/dbraw/zinc/10/86/19/356108619.db2.gz XNQVDLXUYRIOOE-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN CCN(C(=O)[C@@H]1CCO[C@H]1C)[C@H]1CCN(C)C1 ZINC000617552857 356109703 /nfs/dbraw/zinc/10/97/03/356109703.db2.gz WLAMWRVYZQEHSW-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(C(=O)c1cc(C)ncn1)[C@@H]1CCN(C)C1 ZINC000617553920 356111059 /nfs/dbraw/zinc/11/10/59/356111059.db2.gz TZXGUGMPBDLWQA-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCN(C)C1 ZINC000617555108 356111425 /nfs/dbraw/zinc/11/14/25/356111425.db2.gz PZRFTTSESBFCKY-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN CCN(C(=O)COCCOC)[C@H]1CCN(C)C1 ZINC000617554904 356111993 /nfs/dbraw/zinc/11/19/93/356111993.db2.gz MCIPJDKNADPTEW-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN CCN(C(=O)[C@H](C)OC)[C@H]1CCN(C)C1 ZINC000617555945 356113422 /nfs/dbraw/zinc/11/34/22/356113422.db2.gz GOGJRCAYMOVSNH-UWVGGRQHSA-N 0 3 214.309 0.574 20 0 BCADHN CCOCCC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000617556526 356113434 /nfs/dbraw/zinc/11/34/34/356113434.db2.gz SDAXQOKBKOHIBF-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CCO[C@H](C)C(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000617557690 356115587 /nfs/dbraw/zinc/11/55/87/356115587.db2.gz QODVEHNNLODUPL-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN NC(=O)C[C@@H](NCCF)C1CCOCC1 ZINC000308939184 181243106 /nfs/dbraw/zinc/24/31/06/181243106.db2.gz PKRVUMNHAQKRDN-SECBINFHSA-N 0 3 218.272 0.216 20 0 BCADHN NC(=O)C[C@@H](N[C@H]1CCOC1)c1ccccc1 ZINC000293014451 181243201 /nfs/dbraw/zinc/24/32/01/181243201.db2.gz OGTUKICXNSPXKS-NWDGAFQWSA-N 0 3 234.299 0.982 20 0 BCADHN CCN(C(=O)c1ccn(C)n1)[C@@H]1CCN(C)C1 ZINC000617556379 356118343 /nfs/dbraw/zinc/11/83/43/356118343.db2.gz PJLTWEHMVXNOLY-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN O=C1C[C@@H](N[C@@H]2CCCn3nccc32)CCCN1 ZINC000639399331 356124457 /nfs/dbraw/zinc/12/44/57/356124457.db2.gz UHTFQJNASCFXBU-WDEREUQCSA-N 0 3 248.330 0.976 20 0 BCADHN NC(=O)N[C@@H]1CCN(CCCCF)C1 ZINC000351721490 356071542 /nfs/dbraw/zinc/07/15/42/356071542.db2.gz SNOJDTYAEZARFZ-MRVPVSSYSA-N 0 3 203.261 0.479 20 0 BCADHN NC(=O)C[C@H]1CCCN(Cc2ccnc(N)c2)C1 ZINC000278588679 181245910 /nfs/dbraw/zinc/24/59/10/181245910.db2.gz YVNWBDCRXBIALJ-SNVBAGLBSA-N 0 3 248.330 0.751 20 0 BCADHN C[C@@H]1CN([C@H]2CCN(C3CC3)C2=O)C[C@@H]1O ZINC000351823691 356091479 /nfs/dbraw/zinc/09/14/79/356091479.db2.gz NLMNPOWEYYCGIU-MIMYLULJSA-N 0 3 224.304 0.062 20 0 BCADHN CCN(C(=O)Cn1ccnc1)[C@@H]1CCN(C)C1 ZINC000617550210 356092599 /nfs/dbraw/zinc/09/25/99/356092599.db2.gz LLLQITKUKQNPPA-LLVKDONJSA-N 0 3 236.319 0.436 20 0 BCADHN CCN(C(=O)COC(F)F)[C@H]1CCN(C)C1 ZINC000617550726 356093016 /nfs/dbraw/zinc/09/30/16/356093016.db2.gz BNVVGBWNBNAKLO-QMMMGPOBSA-N 0 3 236.262 0.778 20 0 BCADHN CCN(C(=O)c1cncn1C)[C@@H]1CCN(C)C1 ZINC000617550698 356093061 /nfs/dbraw/zinc/09/30/61/356093061.db2.gz AVGHANXAJIDIQW-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN COCCNCCNC(=O)NC1CC(C)(F)C1 ZINC000418256912 192005465 /nfs/dbraw/zinc/00/54/65/192005465.db2.gz NLWBZGIZACRYQQ-UHFFFAOYSA-N 0 3 247.314 0.412 20 0 BCADHN C[C@@H](CNC(=O)N1C[C@H](C)NC[C@@H]1C)N(C)C ZINC000418248979 192006602 /nfs/dbraw/zinc/00/66/02/192006602.db2.gz FWDXHKAQXBUNSA-DCAQKATOSA-N 0 3 242.367 0.328 20 0 BCADHN C[C@H](Cn1cccn1)N[C@H]1CCCN(C)C1=O ZINC000351891450 356156488 /nfs/dbraw/zinc/15/64/88/356156488.db2.gz QIJZXEOPTFOCAZ-MNOVXSKESA-N 0 3 236.319 0.482 20 0 BCADHN C[C@@H](Cn1cccn1)N[C@H]1CCCN(C)C1=O ZINC000351891451 356156517 /nfs/dbraw/zinc/15/65/17/356156517.db2.gz QIJZXEOPTFOCAZ-QWRGUYRKSA-N 0 3 236.319 0.482 20 0 BCADHN NC(=O)NC(=O)CCN1CCC(C(F)F)CC1 ZINC000361689648 181253428 /nfs/dbraw/zinc/25/34/28/181253428.db2.gz OYLXOMDFVXMSJS-UHFFFAOYSA-N 0 3 249.261 0.549 20 0 BCADHN CC(C)N1CCC[C@H](N2CCC(O)CC2)C1=O ZINC000335918990 356165554 /nfs/dbraw/zinc/16/55/54/356165554.db2.gz LNPWPKHKTRKPEX-LBPRGKRZSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H]1CCN(CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000336092276 134079014 /nfs/dbraw/zinc/07/90/14/134079014.db2.gz FMXSWKMAEVIHPQ-BDAKNGLRSA-N 0 3 225.292 0.269 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)CN(C)C)CCN1C ZINC000336092480 134079076 /nfs/dbraw/zinc/07/90/76/134079076.db2.gz BJMUSCBTBQXXRK-NSHDSACASA-N 0 3 227.352 0.347 20 0 BCADHN CN1CCOC[C@H]1CNCc1cccc(O)c1 ZINC000623710728 356141346 /nfs/dbraw/zinc/14/13/46/356141346.db2.gz LVBMDYVRDCIWJL-GFCCVEGCSA-N 0 3 236.315 0.812 20 0 BCADHN CC[C@@H](C(=O)N1CCN(C)CC[C@H]1C)N(C)C ZINC000336084039 134076119 /nfs/dbraw/zinc/07/61/19/134076119.db2.gz VFEFSSXGSFJOIP-NEPJUHHUSA-N 0 3 241.379 0.879 20 0 BCADHN CC(C)N(CC(N)=O)C[C@@H]1CCO[C@H]1C ZINC000639439813 356216723 /nfs/dbraw/zinc/21/67/23/356216723.db2.gz KRDQVCBPVVRMGB-UWVGGRQHSA-N 0 3 214.309 0.607 20 0 BCADHN NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000340566846 181259432 /nfs/dbraw/zinc/25/94/32/181259432.db2.gz RKJAEELDSXWRAV-RYUDHWBXSA-N 0 3 249.314 0.290 20 0 BCADHN C[C@@H]1OCC[C@H]1CN(C)CC(=O)N(C)C ZINC000639445143 356224112 /nfs/dbraw/zinc/22/41/12/356224112.db2.gz KXBVZIYAJJFBCT-UWVGGRQHSA-N 0 3 214.309 0.431 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N1CC[C@H](O)C1 ZINC000336101934 134083242 /nfs/dbraw/zinc/08/32/42/134083242.db2.gz RKRSFYOLDWLYFE-WDEREUQCSA-N 0 3 226.320 0.454 20 0 BCADHN COCCN1CCN(C[C@H]2CCO[C@H]2C)CC1 ZINC000639449266 356230032 /nfs/dbraw/zinc/23/00/32/356230032.db2.gz XEBOGTOWQMDSOB-QWHCGFSZSA-N 0 3 242.363 0.675 20 0 BCADHN NCC(=O)N[C@H]1CCCc2cc(N)ccc21 ZINC000336103640 134083962 /nfs/dbraw/zinc/08/39/62/134083962.db2.gz SEGCYOUDTGMVDB-NSHDSACASA-N 0 3 219.288 0.721 20 0 BCADHN NC(=O)N[C@@H]1CCN([C@H]2C=CCCC2)C1 ZINC000270628704 181260856 /nfs/dbraw/zinc/26/08/56/181260856.db2.gz LFHJBPBZXPUWSV-ZJUUUORDSA-N 0 3 209.293 0.838 20 0 BCADHN CCN(CC(=O)N(C)C)C[C@@H]1CCO[C@@H]1C ZINC000639449755 356233742 /nfs/dbraw/zinc/23/37/42/356233742.db2.gz AVFLLSKGWRDPPO-MNOVXSKESA-N 0 3 228.336 0.822 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CC[C@@H](C)F ZINC000351911124 356193264 /nfs/dbraw/zinc/19/32/64/356193264.db2.gz QOGBOUVVBMJMQH-BDAKNGLRSA-N 0 3 202.273 0.945 20 0 BCADHN C[C@@H](CF)NC(=O)NC[C@H]1CCCN1C ZINC000351911605 356195810 /nfs/dbraw/zinc/19/58/10/356195810.db2.gz YWSHTZDRKRVPKM-DTWKUNHWSA-N 0 3 217.288 0.738 20 0 BCADHN CCC[C@@H](NC(C)C)C(=O)NCC(=O)NCC ZINC000352136598 134081749 /nfs/dbraw/zinc/08/17/49/134081749.db2.gz ZYTUMMOZWULYRY-SNVBAGLBSA-N 0 3 243.351 0.405 20 0 BCADHN NC(=O)N[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC000270706084 181260917 /nfs/dbraw/zinc/26/09/17/181260917.db2.gz YUUYZXHUKMPSDQ-VXGBXAGGSA-N 0 3 249.314 0.463 20 0 BCADHN CC[C@H](C)CN1CCOC[C@@H]1CC(N)=O ZINC000449767094 202027876 /nfs/dbraw/zinc/02/78/76/202027876.db2.gz CZUPFYHIRALUTA-UWVGGRQHSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@H]1CN(C[C@@H]2CCc3ncnn32)CCCO1 ZINC000639472701 356262358 /nfs/dbraw/zinc/26/23/58/356262358.db2.gz RSHJUZCHGZDCKF-QWRGUYRKSA-N 0 3 236.319 0.876 20 0 BCADHN COC[C@H](NCC(C)(C)S(C)(=O)=O)C1CC1 ZINC000087481771 491089041 /nfs/dbraw/zinc/08/90/41/491089041.db2.gz FMLUYFBITGKZBC-JTQLQIEISA-N 0 3 249.376 0.824 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NC/C=C/CO ZINC000617689000 356279572 /nfs/dbraw/zinc/27/95/72/356279572.db2.gz BJFLRHVOZKCDRK-UFFNRZRYSA-N 0 3 226.320 0.526 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NC/C=C\CO ZINC000617688998 356279802 /nfs/dbraw/zinc/27/98/02/356279802.db2.gz BJFLRHVOZKCDRK-DLRQAJBASA-N 0 3 226.320 0.526 20 0 BCADHN OC[C@@H]1CCCCN1C[C@@H]1CCc2ncnn21 ZINC000639453093 356237020 /nfs/dbraw/zinc/23/70/20/356237020.db2.gz YWGGXJLZUKWHGB-QWRGUYRKSA-N 0 3 236.319 0.612 20 0 BCADHN CCNC(=O)CN(C)C[C@@H]1CCO[C@H]1C ZINC000639455012 356239836 /nfs/dbraw/zinc/23/98/36/356239836.db2.gz LIRZJBOJZWRVCC-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN C[C@@H](O)CN(C)C[C@H]1CCc2ncnn21 ZINC000639499198 356324924 /nfs/dbraw/zinc/32/49/24/356324924.db2.gz HDWYEOILUAAQJX-RKDXNWHRSA-N 0 3 210.281 0.078 20 0 BCADHN CN(CCC(=O)NC/C=C/CO)c1ccncc1 ZINC000617685498 356283829 /nfs/dbraw/zinc/28/38/29/356283829.db2.gz QVLGUMOIVMCEGT-NSCUHMNNSA-N 0 3 249.314 0.573 20 0 BCADHN COCCN(C[C@@H]1CCO[C@H]1C)[C@H](C)C(N)=O ZINC000639480516 356294336 /nfs/dbraw/zinc/29/43/36/356294336.db2.gz KMNZAHXODDVURJ-VWYCJHECSA-N 0 3 244.335 0.234 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1Cc2cncn2C1 ZINC000623265495 356298507 /nfs/dbraw/zinc/29/85/07/356298507.db2.gz HOYGHIVSTOFNPF-JTQLQIEISA-N 0 3 236.319 0.266 20 0 BCADHN CN(CCn1cccn1)C[C@@H]1CCc2ncnn21 ZINC000639486766 356302339 /nfs/dbraw/zinc/30/23/39/356302339.db2.gz RQEMFBIVEWUKRL-NSHDSACASA-N 0 3 246.318 0.594 20 0 BCADHN Cn1cncc1CCN(CCCO)C1CC1 ZINC000639492970 356314808 /nfs/dbraw/zinc/31/48/08/356314808.db2.gz NNUWUJLWXJTEGZ-UHFFFAOYSA-N 0 3 223.320 0.809 20 0 BCADHN C[C@H](CCNC(=O)c1csc(=O)[n-]1)[NH+](C)C ZINC000617756625 356317151 /nfs/dbraw/zinc/31/71/51/356317151.db2.gz KTBOHORPAYFDKN-SSDOTTSWSA-N 0 3 243.332 0.919 20 0 BCADHN CC(=O)C1(C(=O)NCC[C@H](C)N(C)C)CC1 ZINC000617761659 356319647 /nfs/dbraw/zinc/31/96/47/356319647.db2.gz YWDPAWNVSMZGPT-VIFPVBQESA-N 0 3 226.320 0.812 20 0 BCADHN CC(C)[C@H](C(=O)N(C)C[C@@H](O)C1CC1)N(C)C ZINC000087557953 491090253 /nfs/dbraw/zinc/09/02/53/491090253.db2.gz FGFGSKOMNDWZBP-VXGBXAGGSA-N 0 3 242.363 0.802 20 0 BCADHN CCOC(=O)[C@@H](CC)N1CCNC[C@](C)(F)C1 ZINC000420341562 192215530 /nfs/dbraw/zinc/21/55/30/192215530.db2.gz VBVBDWVGHKPROT-PWSUYJOCSA-N 0 3 246.326 0.962 20 0 BCADHN CCc1cc(=O)[n-]c(CN(C)CC[NH2+]C)n1 ZINC000420342473 192215807 /nfs/dbraw/zinc/21/58/07/192215807.db2.gz XDAWTQHTWRTADJ-UHFFFAOYSA-N 0 3 224.308 0.396 20 0 BCADHN CC(C)CNC(=O)CN1CCNC[C@@](C)(F)C1 ZINC000420342551 192216431 /nfs/dbraw/zinc/21/64/31/192216431.db2.gz QYYPSTFMYVCBER-GFCCVEGCSA-N 0 3 245.342 0.392 20 0 BCADHN CCOC(=O)[C@H](CC)N1CCNC[C@](C)(F)C1 ZINC000420341560 192216806 /nfs/dbraw/zinc/21/68/06/192216806.db2.gz VBVBDWVGHKPROT-JQWIXIFHSA-N 0 3 246.326 0.962 20 0 BCADHN C[C@@]1(O)CCN([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000639510434 356343786 /nfs/dbraw/zinc/34/37/86/356343786.db2.gz DIMODMWIMSYMIM-WCQYABFASA-N 0 3 238.331 0.597 20 0 BCADHN CC[C@H](C)NC(=O)CN1C[C@H]2CCC[C@@H](C1)N2 ZINC000420348609 192217924 /nfs/dbraw/zinc/21/79/24/192217924.db2.gz MGQXTUWSXAODCJ-SDDRHHMPSA-N 0 3 239.363 0.727 20 0 BCADHN CC(=O)CN(CC(C)(C)O)C1CCOCC1 ZINC000639514304 356347741 /nfs/dbraw/zinc/34/77/41/356347741.db2.gz NCODKXOIEAAEOC-UHFFFAOYSA-N 0 3 229.320 0.827 20 0 BCADHN C[C@H]1OCC[C@H]1CN1CCN(C)C(=O)C1(C)C ZINC000639514075 356351824 /nfs/dbraw/zinc/35/18/24/356351824.db2.gz NRQWBQKLZNHEBC-MNOVXSKESA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1OCC[C@H]1CN(CC(N)=O)C(C)(C)C ZINC000639519076 356363372 /nfs/dbraw/zinc/36/33/72/356363372.db2.gz GHNZLXJBPBSMHF-UWVGGRQHSA-N 0 3 228.336 0.997 20 0 BCADHN NC(=O)[C@@H]1CCCN(Cc2ccc(CO)o2)C1 ZINC000269332804 181269131 /nfs/dbraw/zinc/26/91/31/181269131.db2.gz CMCYRFIROWCDOB-SECBINFHSA-N 0 3 238.287 0.469 20 0 BCADHN NC(=O)[C@@H]1CCN(Cc2ccc3c(c2)CCO3)C1 ZINC000111226475 181270767 /nfs/dbraw/zinc/27/07/67/181270767.db2.gz XYTZJVTUZMMWLR-GFCCVEGCSA-N 0 3 246.310 0.929 20 0 BCADHN CCN(CCN1CCOCC1)C[C@H](C)O ZINC000352186874 134099517 /nfs/dbraw/zinc/09/95/17/134099517.db2.gz ONNPVXSCEYMCIS-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN CN(CCN1C(=O)CCC1=O)[C@H]1CCCOC1 ZINC000352186286 134099755 /nfs/dbraw/zinc/09/97/55/134099755.db2.gz KUOJRPZGOPFOTR-JTQLQIEISA-N 0 3 240.303 0.246 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1Cc2cncn2C1 ZINC000623271192 356385924 /nfs/dbraw/zinc/38/59/24/356385924.db2.gz VGGFSGZICQZZHT-SNVBAGLBSA-N 0 3 236.319 0.264 20 0 BCADHN CN(CCc1cncn1C)Cc1cn[nH]c1 ZINC000639534929 356387268 /nfs/dbraw/zinc/38/72/68/356387268.db2.gz GVNMZSCGRMJHFO-UHFFFAOYSA-N 0 3 219.292 0.818 20 0 BCADHN CCN1CCC[C@H]1CS(=O)(=O)NC ZINC000336554291 356390790 /nfs/dbraw/zinc/39/07/90/356390790.db2.gz SQRQYKHYGWBRTB-QMMMGPOBSA-N 0 3 206.311 0.020 20 0 BCADHN CCN1CCN(CCOCCOC)[C@H](C)C1 ZINC000352658658 356397114 /nfs/dbraw/zinc/39/71/14/356397114.db2.gz KJOJMQMGENVMQM-GFCCVEGCSA-N 0 3 230.352 0.675 20 0 BCADHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCCCO ZINC000368959819 181274420 /nfs/dbraw/zinc/27/44/20/181274420.db2.gz ZPBOYQNDXQZDAI-AXFHLTTASA-N 0 3 226.320 0.345 20 0 BCADHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCO ZINC000360127876 181274728 /nfs/dbraw/zinc/27/47/28/181274728.db2.gz CBIAJIVDCDABOF-GUBZILKMSA-N 0 3 212.293 0.097 20 0 BCADHN CSCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000609639882 356415223 /nfs/dbraw/zinc/41/52/23/356415223.db2.gz QBLPYTNEJLSCJE-VIFPVBQESA-N 0 3 243.376 0.885 20 0 BCADHN CNC(=O)c1ccc(CN[C@H]2CCN(C)C2)cc1 ZINC000042546079 356415401 /nfs/dbraw/zinc/41/54/01/356415401.db2.gz JLKWRPSWRQQUEU-ZDUSSCGKSA-N 0 3 247.342 0.840 20 0 BCADHN O=C1[C@H](N2C[C@H]3CCC[C@@H](C2)N3)CCN1C1CC1 ZINC000420403409 192238329 /nfs/dbraw/zinc/23/83/29/192238329.db2.gz RIYCKOZXYJOCCH-NTZNESFSSA-N 0 3 249.358 0.576 20 0 BCADHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCn1ccnc1 ZINC000368971878 181275161 /nfs/dbraw/zinc/27/51/61/181275161.db2.gz DNKIQQMOUSIEBL-SRVKXCTJSA-N 0 3 248.330 0.469 20 0 BCADHN C[NH2+]CCC[N-]S(=O)(=O)c1cc(C)cs1 ZINC000420402418 192238584 /nfs/dbraw/zinc/23/85/84/192238584.db2.gz IRRDZRCGHIRUMJ-UHFFFAOYSA-N 0 3 248.373 0.944 20 0 BCADHN CCN1CCN(C(=O)[C@@H](N)CCSC)CC1 ZINC000011754922 356421624 /nfs/dbraw/zinc/42/16/24/356421624.db2.gz IHNIHSUDBXNIKF-JTQLQIEISA-N 0 3 245.392 0.231 20 0 BCADHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCn1ccnc1 ZINC000368971881 181273244 /nfs/dbraw/zinc/27/32/44/181273244.db2.gz DNKIQQMOUSIEBL-UTUOFQBUSA-N 0 3 248.330 0.469 20 0 BCADHN CNCCN(C)S(=O)(=O)c1ccc(N)cc1 ZINC000420435172 192242600 /nfs/dbraw/zinc/24/26/00/192242600.db2.gz LRVBUBTYRHBBFV-UHFFFAOYSA-N 0 3 243.332 0.109 20 0 BCADHN COCCNC(=O)N1CCN(C)CC[C@@H]1C ZINC000336152625 134104696 /nfs/dbraw/zinc/10/46/96/134104696.db2.gz IVMXMVCCCZMSHL-JTQLQIEISA-N 0 3 229.324 0.368 20 0 BCADHN CCN1CCN(CCn2cncn2)[C@@H](C)C1 ZINC000352698112 356405094 /nfs/dbraw/zinc/40/50/94/356405094.db2.gz LVZROGNMYZPUFZ-NSHDSACASA-N 0 3 223.324 0.304 20 0 BCADHN C[C@@H]1COCCCN1C[C@H]1CCc2ncnn21 ZINC000639544421 356407289 /nfs/dbraw/zinc/40/72/89/356407289.db2.gz 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214.309 0.667 20 0 BCADHN CCCCNC(=O)CN(C)C[C@@H]1CCCN1C ZINC000421011868 192301872 /nfs/dbraw/zinc/30/18/72/192301872.db2.gz SNPLWGJVVRLLRQ-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CN(CC(=O)NC1CC1)C[C@@H]1CCCN1C ZINC000421013553 192302549 /nfs/dbraw/zinc/30/25/49/192302549.db2.gz VCLFCQONNBEWBR-NSHDSACASA-N 0 3 225.336 0.291 20 0 BCADHN Cc1noc(CN(C)C[C@@H]2CCCN2C)n1 ZINC000421017098 192303541 /nfs/dbraw/zinc/30/35/41/192303541.db2.gz ZAWMXCMGQKBTMV-JTQLQIEISA-N 0 3 224.308 0.904 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCC1(C)COC1 ZINC000087198075 535315398 /nfs/dbraw/zinc/31/53/98/535315398.db2.gz AVNXNGGGSZHBFU-VIFPVBQESA-N 0 3 214.309 0.513 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H](CCO)CC1 ZINC000421016735 192304424 /nfs/dbraw/zinc/30/44/24/192304424.db2.gz MRCBIDCZAJWUBM-WDEREUQCSA-N 0 3 228.336 0.735 20 0 BCADHN Cc1ccn(CC(=O)N2CCNC(C)(C)C2)n1 ZINC000336199152 134128065 /nfs/dbraw/zinc/12/80/65/134128065.db2.gz MOTKGGWDNMGZEK-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN CC1(O)CC(C(=O)N2CCNC(C)(C)C2)C1 ZINC000336199251 134128183 /nfs/dbraw/zinc/12/81/83/134128183.db2.gz VAMZXAJHYZPPSS-UHFFFAOYSA-N 0 3 226.320 0.358 20 0 BCADHN CN(CCc1cncn1C)C1(CO)CC1 ZINC000639643869 356556452 /nfs/dbraw/zinc/55/64/52/356556452.db2.gz PFJWHBUOGCRVDT-UHFFFAOYSA-N 0 3 209.293 0.419 20 0 BCADHN CO[C@H](C)CN(C)C[C@H]1CCc2ncnn21 ZINC000639643369 356556490 /nfs/dbraw/zinc/55/64/90/356556490.db2.gz BVMHPUCMFJBLRR-NXEZZACHSA-N 0 3 224.308 0.732 20 0 BCADHN CN(CCN1CCCC1)C(=O)[C@H](O)C1CCC1 ZINC000449841695 202043543 /nfs/dbraw/zinc/04/35/43/202043543.db2.gz WBTWKVMRIXEBBV-GFCCVEGCSA-N 0 3 240.347 0.702 20 0 BCADHN CCN(CCNC(=O)[C@H](O)C1CCC1)C1CC1 ZINC000449840197 202043726 /nfs/dbraw/zinc/04/37/26/202043726.db2.gz PFSLMDOMPHLHED-GFCCVEGCSA-N 0 3 240.347 0.748 20 0 BCADHN COCCOCCN(C)CCc1cncn1C ZINC000639644797 356558479 /nfs/dbraw/zinc/55/84/79/356558479.db2.gz BLCVROALOCEEGI-UHFFFAOYSA-N 0 3 241.335 0.557 20 0 BCADHN Cc1cccc(CCN2C[C@H](O)[C@@H](O)C2)c1 ZINC000336212164 134135175 /nfs/dbraw/zinc/13/51/75/134135175.db2.gz DGGCWYZCFDACRY-STQMWFEESA-N 0 3 221.300 0.575 20 0 BCADHN CN1CCN(C[C@@H](O)C(F)(F)F)CC1(C)C ZINC000225434138 491096448 /nfs/dbraw/zinc/09/64/48/491096448.db2.gz NVHRSNPJUGIBFC-MRVPVSSYSA-N 0 3 240.269 0.936 20 0 BCADHN CN(C)C(=O)[C@@H]1CCN(CCc2cnccn2)C1 ZINC000639673504 356591001 /nfs/dbraw/zinc/59/10/01/356591001.db2.gz JXAHUYVFYPOYEI-LLVKDONJSA-N 0 3 248.330 0.429 20 0 BCADHN CN(C)C(=O)C1(NCCc2cnccn2)CC1 ZINC000639674815 356591664 /nfs/dbraw/zinc/59/16/64/356591664.db2.gz QMIHXRQTJSTDEK-UHFFFAOYSA-N 0 3 234.303 0.230 20 0 BCADHN C[C@H](C(N)=O)N1CCCN(c2ccncc2)CC1 ZINC000639681845 356592474 /nfs/dbraw/zinc/59/24/74/356592474.db2.gz FQEAFSBVIJBQKL-LLVKDONJSA-N 0 3 248.330 0.468 20 0 BCADHN C[C@@H](C(N)=O)N1CCCN(c2ccncc2)CC1 ZINC000639681846 356592760 /nfs/dbraw/zinc/59/27/60/356592760.db2.gz FQEAFSBVIJBQKL-NSHDSACASA-N 0 3 248.330 0.468 20 0 BCADHN CC(=O)CN1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000639657784 356574056 /nfs/dbraw/zinc/57/40/56/356574056.db2.gz CFEIXNLJQLAUCJ-IJLUTSLNSA-N 0 3 227.304 0.437 20 0 BCADHN C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000449943698 202057383 /nfs/dbraw/zinc/05/73/83/202057383.db2.gz BTVCUNLCKWWAON-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN COCC[C@@H](C)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000639669601 356583423 /nfs/dbraw/zinc/58/34/23/356583423.db2.gz XMHLJPRGLNAEAK-VWYCJHECSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@H]1CN(CCO)CCN1CCc1ccccn1 ZINC000639670182 356584094 /nfs/dbraw/zinc/58/40/94/356584094.db2.gz HNQZEWNPZANIIT-ZDUSSCGKSA-N 0 3 249.358 0.623 20 0 BCADHN c1cn([C@H]2CCN([C@@H]3CCCOC3)C2)nn1 ZINC000639707176 356614120 /nfs/dbraw/zinc/61/41/20/356614120.db2.gz SUIKNAUNNMWIBJ-WDEREUQCSA-N 0 3 222.292 0.704 20 0 BCADHN CCOC(=O)[C@H]1NCC[C@@H]1NC1CCC1 ZINC000422959398 192526967 /nfs/dbraw/zinc/52/69/67/192526967.db2.gz RWJKZGFGJGBXSG-UWVGGRQHSA-N 0 3 212.293 0.422 20 0 BCADHN CC(=O)NCCN(C)C[C@@H]1CC(C)(C)CO1 ZINC000639693832 356602230 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/nfs/dbraw/zinc/64/39/32/356643932.db2.gz IMPMYMZGYQLOFB-KOLCDFICSA-N 0 3 236.319 0.611 20 0 BCADHN CCN(C)C(=O)CCN1CCN(C(C)C)CC1 ZINC000130087465 325011594 /nfs/dbraw/zinc/01/15/94/325011594.db2.gz MCKGHYFVNCFRLL-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN CCC[C@@H](O)CN1CCC[C@H]1C(N)=O ZINC000450246178 202107454 /nfs/dbraw/zinc/10/74/54/202107454.db2.gz JYRGCUDFRUFJMP-BDAKNGLRSA-N 0 3 200.282 0.097 20 0 BCADHN CCNC(=O)CN1CCN(C)[C@H](C(C)(C)C)C1 ZINC000639747675 356641207 /nfs/dbraw/zinc/64/12/07/356641207.db2.gz BLQCEALRQWZKOG-NSHDSACASA-N 0 3 241.379 0.785 20 0 BCADHN CCN(CCC(=O)OC)C[C@H]1COCCO1 ZINC000450324416 202129211 /nfs/dbraw/zinc/12/92/11/202129211.db2.gz OUBNCHYTJLKDHQ-JTQLQIEISA-N 0 3 231.292 0.287 20 0 BCADHN CCN1CCN(CCCNC(=O)C(C)C)CC1 ZINC000041443558 358510145 /nfs/dbraw/zinc/51/01/45/358510145.db2.gz DNYTTYPAVRYAKP-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN CCCCOCCNC[C@@H](C)S(C)(=O)=O ZINC000582236196 356654515 /nfs/dbraw/zinc/65/45/15/356654515.db2.gz GJOIBCVQKXSFRV-SNVBAGLBSA-N 0 3 237.365 0.826 20 0 BCADHN N[C@H](C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12)C1CCC1 ZINC000582240264 356671066 /nfs/dbraw/zinc/67/10/66/356671066.db2.gz ZSBUCYWGETTZEG-WYUUTHIRSA-N 0 3 238.331 0.798 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCCO[C@@H](C)C1 ZINC000450347573 202136761 /nfs/dbraw/zinc/13/67/61/202136761.db2.gz PUCWLNXOWYBNHU-ONGXEEELSA-N 0 3 215.293 0.437 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCCN(C(C)C)CC1 ZINC000450347116 202136781 /nfs/dbraw/zinc/13/67/81/202136781.db2.gz JAAJZMJVNGOMKQ-ZDUSSCGKSA-N 0 3 242.363 0.743 20 0 BCADHN CCC[C@H](O)CN1CCO[C@H](CN(C)C)C1 ZINC000450374105 202146758 /nfs/dbraw/zinc/14/67/58/202146758.db2.gz BJTVJPZQFINMPX-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN CC[C@]1(O)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000582249981 356682886 /nfs/dbraw/zinc/68/28/86/356682886.db2.gz FNJUJMHOBHTPPB-AAEUAGOBSA-N 0 3 240.347 0.702 20 0 BCADHN CC(C)CNC(=O)CN1CCC[C@@H]1C(C)(C)O ZINC000305194531 356684266 /nfs/dbraw/zinc/68/42/66/356684266.db2.gz STXFTOGSPJQMGX-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN C/C=C\CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000623635449 366336665 /nfs/dbraw/zinc/33/66/65/366336665.db2.gz IIJUCNYOBJEENN-DLRQAJBASA-N 0 3 241.335 0.582 20 0 BCADHN CC(C)(C)NC(=O)CNC(=O)[C@H]1CCCCN1 ZINC000035661211 356705275 /nfs/dbraw/zinc/70/52/75/356705275.db2.gz KFCJVLJJMNFRGN-SECBINFHSA-N 0 3 241.335 0.159 20 0 BCADHN O=C1CC[C@@H](CN2CCC[C@H]2c2cn[nH]c2)N1 ZINC000639778093 356725019 /nfs/dbraw/zinc/72/50/19/356725019.db2.gz ZRCWNQXAXRPURR-QWRGUYRKSA-N 0 3 234.303 0.825 20 0 BCADHN Cc1ccnc(CN2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000639783161 356732860 /nfs/dbraw/zinc/73/28/60/356732860.db2.gz DFJCTFVLTGHPFI-CHWSQXEVSA-N 0 3 236.315 0.708 20 0 BCADHN CCCN(C)CC(=O)N1CCC(=O)N(C)CC1 ZINC000619058696 363565108 /nfs/dbraw/zinc/56/51/08/363565108.db2.gz ZSITVTWKDYDLCE-UHFFFAOYSA-N 0 3 241.335 0.019 20 0 BCADHN CCN1CCCC[C@H]1C(=O)NC[C@@H](C)N(C)C ZINC000354574508 356740763 /nfs/dbraw/zinc/74/07/63/356740763.db2.gz GYHKJHGXKHWBOL-NEPJUHHUSA-N 0 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ZINC000623925649 356813536 /nfs/dbraw/zinc/81/35/36/356813536.db2.gz LAYADOPVEDNAPN-UHFFFAOYSA-N 0 3 236.323 0.713 20 0 BCADHN C=Cn1cc(CNCCN2CC[C@@H](O)C2)cn1 ZINC000623758814 356816925 /nfs/dbraw/zinc/81/69/25/356816925.db2.gz PIUMAZFFFICMMR-GFCCVEGCSA-N 0 3 236.319 0.140 20 0 BCADHN C/C=C\CNC(=O)[C@@H](N)CCSC ZINC000384965831 356819247 /nfs/dbraw/zinc/81/92/47/356819247.db2.gz HUZLTGQIZIUWOY-VEMNSZJBSA-N 0 3 202.323 0.759 20 0 BCADHN Cc1ccncc1CNCCN1CC[C@@H](O)C1 ZINC000623758956 356820598 /nfs/dbraw/zinc/82/05/98/356820598.db2.gz UMKDJQHRWDQRAR-CYBMUJFWSA-N 0 3 235.331 0.546 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CCN1 ZINC000357304769 356823846 /nfs/dbraw/zinc/82/38/46/356823846.db2.gz MKOGEOBHKAPJQT-AXFHLTTASA-N 0 3 238.331 0.622 20 0 BCADHN COC1CC(C(=O)N(C)C2CCN(C)CC2)C1 ZINC000623353165 356781416 /nfs/dbraw/zinc/78/14/16/356781416.db2.gz CALGUFHRYXWKHF-UHFFFAOYSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@@H](O)CCCNC(=O)N[C@H](C)CN(C)C ZINC000358501002 356869707 /nfs/dbraw/zinc/86/97/07/356869707.db2.gz MYFDCFKWPKMWCB-GHMZBOCLSA-N 0 3 245.367 0.787 20 0 BCADHN CCc1cc(N(C)[C@@H]2COC[C@H]2O)ccn1 ZINC000450524994 202190266 /nfs/dbraw/zinc/19/02/66/202190266.db2.gz QHCZYECVUANIMF-VXGBXAGGSA-N 0 3 222.288 0.840 20 0 BCADHN c1nc2n(n1)[C@H](CN1CC[C@H]3COC[C@H]3C1)CC2 ZINC000639862344 356870204 /nfs/dbraw/zinc/87/02/04/356870204.db2.gz JABVCFAPVIJUFN-TUAOUCFPSA-N 0 3 248.330 0.734 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CN2CCC2)C[C@H](C)O1 ZINC000352997971 538731387 /nfs/dbraw/zinc/73/13/87/538731387.db2.gz FNRPVNSHTOMZAL-GRYCIOLGSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@H]1CN(CCc2cnccn2)C[C@]1(C)CO ZINC000639864255 356874942 /nfs/dbraw/zinc/87/49/42/356874942.db2.gz XDMRKXUZCLSZDT-WCQYABFASA-N 0 3 235.331 0.969 20 0 BCADHN CCO[C@@H](C(=O)NCCN(C)C)C(C)C ZINC000623370567 356876322 /nfs/dbraw/zinc/87/63/22/356876322.db2.gz QKSPATUKJBNSHW-SNVBAGLBSA-N 0 3 216.325 0.725 20 0 BCADHN C[C@@H]1[C@H](NC(=O)C2CC(C)(O)C2)CCCN1C ZINC000450546802 202193596 /nfs/dbraw/zinc/19/35/96/202193596.db2.gz KZOIYSWUUAXUCE-YLXHPXFOSA-N 0 3 240.347 0.746 20 0 BCADHN O=C1NCC[C@H]1N1CCC[C@@H](n2ccnn2)CC1 ZINC000639845551 356841935 /nfs/dbraw/zinc/84/19/35/356841935.db2.gz WJAGRUSZCYRQBI-GHMZBOCLSA-N 0 3 249.318 0.194 20 0 BCADHN COCCN(C)CCOC[C@H]1CCCO1 ZINC000152180352 356844568 /nfs/dbraw/zinc/84/45/68/356844568.db2.gz JIDWPKKNRQRATM-LLVKDONJSA-N 0 3 217.309 0.760 20 0 BCADHN C[C@@]1(CO)C[C@H](O)CN1CCc1cscn1 ZINC000639848384 356845838 /nfs/dbraw/zinc/84/58/38/356845838.db2.gz HEPBWKUVLCTIKE-QWRGUYRKSA-N 0 3 242.344 0.503 20 0 BCADHN C[C@]1(CO)C[C@@H](O)CN1CCc1ccccn1 ZINC000639849733 356850398 /nfs/dbraw/zinc/85/03/98/356850398.db2.gz YVJCDAKAKAZIJP-CHWSQXEVSA-N 0 3 236.315 0.442 20 0 BCADHN C[C@]1(CO)C[C@H](O)CN1Cc1cccnc1 ZINC000639851396 356851466 /nfs/dbraw/zinc/85/14/66/356851466.db2.gz LYEZZACLTFMDNO-NWDGAFQWSA-N 0 3 222.288 0.399 20 0 BCADHN C[C@@]1(CO)C[C@@H](O)CN1Cc1ccncc1 ZINC000639850908 356854474 /nfs/dbraw/zinc/85/44/74/356854474.db2.gz HQZJCCCCUREKMD-NEPJUHHUSA-N 0 3 222.288 0.399 20 0 BCADHN Cc1cnn(CCN2C[C@H](O)C[C@]2(C)CO)c1 ZINC000639850870 356854502 /nfs/dbraw/zinc/85/45/02/356854502.db2.gz XRWJYGQPOKWEBP-VXGBXAGGSA-N 0 3 239.319 0.009 20 0 BCADHN Cc1ncccc1CN1C[C@H](O)C[C@]1(C)CO ZINC000639851005 356854859 /nfs/dbraw/zinc/85/48/59/356854859.db2.gz YGLDAMJBLYSMSQ-CHWSQXEVSA-N 0 3 236.315 0.708 20 0 BCADHN Cc1cccnc1CN1C[C@H](O)C[C@]1(C)CO ZINC000639851034 356854969 /nfs/dbraw/zinc/85/49/69/356854969.db2.gz YNNQMYPWWXJYOV-DGCLKSJQSA-N 0 3 236.315 0.708 20 0 BCADHN CCC[C@H](O)CN[C@@H](C(N)=O)C(C)(C)C ZINC000450566843 202198072 /nfs/dbraw/zinc/19/80/72/202198072.db2.gz XNSCKUKJAZHIRR-IUCAKERBSA-N 0 3 216.325 0.637 20 0 BCADHN CCN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000360963103 356914416 /nfs/dbraw/zinc/91/44/16/356914416.db2.gz UVRZHXAMMKHMJI-GFCCVEGCSA-N 0 3 211.353 0.718 20 0 BCADHN CCC[C@@H](O)CN[C@H](C(N)=O)C(C)(C)C ZINC000450566844 202199743 /nfs/dbraw/zinc/19/97/43/202199743.db2.gz XNSCKUKJAZHIRR-RKDXNWHRSA-N 0 3 216.325 0.637 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H]1CCCN1C)N(C)C ZINC000130700980 325081688 /nfs/dbraw/zinc/08/16/88/325081688.db2.gz DANMYNRTBPDZLK-QWRGUYRKSA-N 0 3 227.352 0.537 20 0 BCADHN CCC[C@H](O)CN[C@@](C)(COC)CC(=O)OC ZINC000450576685 202203101 /nfs/dbraw/zinc/20/31/01/202203101.db2.gz AWHHIALDRXQQMK-CMPLNLGQSA-N 0 3 247.335 0.705 20 0 BCADHN CCN1CCCN([C@H](C)c2nnnn2C)CC1 ZINC000368958754 356980778 /nfs/dbraw/zinc/98/07/78/356980778.db2.gz NZFFQUUNSDUYRA-SNVBAGLBSA-N 0 3 238.339 0.299 20 0 BCADHN CN1CCN(CC[C@H]2CCCCO2)[C@@H](CO)C1 ZINC000639866513 356982473 /nfs/dbraw/zinc/98/24/73/356982473.db2.gz FXGVSWCBEAYPNU-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN CN1CCN(CC[C@@H]2CCCCO2)[C@@H](CO)C1 ZINC000639866516 356982546 /nfs/dbraw/zinc/98/25/46/356982546.db2.gz FXGVSWCBEAYPNU-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCN(C)C[C@H]1CO ZINC000639866614 356982680 /nfs/dbraw/zinc/98/26/80/356982680.db2.gz GQBXAGOLDMZGNR-SRVKXCTJSA-N 0 3 228.336 0.020 20 0 BCADHN CO[C@H](CNC(=O)[C@H](C)N)C1CCCC1 ZINC000659382374 491105915 /nfs/dbraw/zinc/10/59/15/491105915.db2.gz ONWLWACIEMPOFW-WCBMZHEXSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@@H](CNC(=O)[C@H](C)N)C1CCCC1 ZINC000659382376 491105919 /nfs/dbraw/zinc/10/59/19/491105919.db2.gz ONWLWACIEMPOFW-WPRPVWTQSA-N 0 3 214.309 0.655 20 0 BCADHN CO[C@@H](CNC(=O)[C@@H](C)N)C1CCCC1 ZINC000659382373 491105923 /nfs/dbraw/zinc/10/59/23/491105923.db2.gz ONWLWACIEMPOFW-SCZZXKLOSA-N 0 3 214.309 0.655 20 0 BCADHN OCCCN1CCC[C@H]1CNc1ncccn1 ZINC000450592386 202206306 /nfs/dbraw/zinc/20/63/06/202206306.db2.gz HKESZWDSJJYHIH-NSHDSACASA-N 0 3 236.319 0.735 20 0 BCADHN CCN1C(=O)[C@@H]2CN(C3CCC3)CCN2C1=O ZINC000369929840 357000192 /nfs/dbraw/zinc/00/01/92/357000192.db2.gz JHPXVQOMROQOCL-JTQLQIEISA-N 0 3 237.303 0.507 20 0 BCADHN CCN1C(=O)[C@@H]2CN(CCCF)CCN2C1=O ZINC000370625186 357022596 /nfs/dbraw/zinc/02/25/96/357022596.db2.gz WBFVRGAMIGTTMU-VIFPVBQESA-N 0 3 243.282 0.314 20 0 BCADHN CCN1C(=O)[C@H]2CN(CCCF)CCN2C1=O ZINC000370625185 357022675 /nfs/dbraw/zinc/02/26/75/357022675.db2.gz WBFVRGAMIGTTMU-SECBINFHSA-N 0 3 243.282 0.314 20 0 BCADHN Cc1csc(CNCCC(=O)NC(N)=O)c1 ZINC000582296736 357031351 /nfs/dbraw/zinc/03/13/51/357031351.db2.gz UJGPITKRWPHUDV-UHFFFAOYSA-N 0 3 241.316 0.731 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC000582297031 357031786 /nfs/dbraw/zinc/03/17/86/357031786.db2.gz JKZSNBCJUMOIKJ-NWDGAFQWSA-N 0 3 248.330 0.436 20 0 BCADHN CCCCOC[C@H](O)CN1CC[C@H](C)[C@@H](O)C1 ZINC000300295025 357037096 /nfs/dbraw/zinc/03/70/96/357037096.db2.gz MBZBVGREGICQCR-XQQFMLRXSA-N 0 3 245.363 0.867 20 0 BCADHN COC(C)(C)CCN1CCN(C)C[C@H]1CO ZINC000639871441 357037694 /nfs/dbraw/zinc/03/76/94/357037694.db2.gz KARNQKKVCMNKKO-NSHDSACASA-N 0 3 230.352 0.410 20 0 BCADHN CCCCOC[C@@H](O)CN1CCN(C)C[C@H]1C ZINC000300423740 357041749 /nfs/dbraw/zinc/04/17/49/357041749.db2.gz KLQIJUUMPWCDAK-OLZOCXBDSA-N 0 3 244.379 0.800 20 0 BCADHN CN1CCN(CC2(C)CCC2)[C@H](CO)C1 ZINC000639872261 357042303 /nfs/dbraw/zinc/04/23/03/357042303.db2.gz OXMDKMYDUVTIRE-NSHDSACASA-N 0 3 212.337 0.785 20 0 BCADHN CCO[C@H](CN1CCN(C)C[C@H]1CO)C1CC1 ZINC000639868157 357004814 /nfs/dbraw/zinc/00/48/14/357004814.db2.gz SBEPVLZGVBBJRK-QWHCGFSZSA-N 0 3 242.363 0.410 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCCOC[C@@H]1C ZINC000399680395 357011266 /nfs/dbraw/zinc/01/12/66/357011266.db2.gz PXIQFYDMAGOHFX-ONGXEEELSA-N 0 3 231.292 0.021 20 0 BCADHN CC[C@@H](O)CCNC(=O)C12CCCN1CCC2 ZINC000370543946 357020479 /nfs/dbraw/zinc/02/04/79/357020479.db2.gz NJJDBZXDPFSWSV-LLVKDONJSA-N 0 3 240.347 0.892 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](CC)[C@H]1CCCO1 ZINC000390546519 357103266 /nfs/dbraw/zinc/10/32/66/357103266.db2.gz NAHWCPIYKSOLOR-LPEHRKFASA-N 0 3 214.309 0.798 20 0 BCADHN CC1(C)CC(NC[C@@H]2CS(=O)(=O)CCO2)C1 ZINC000390654460 357110273 /nfs/dbraw/zinc/11/02/73/357110273.db2.gz QFKSFRCXCKJHCF-SNVBAGLBSA-N 0 3 247.360 0.578 20 0 BCADHN CCO[C@@H]1C[C@H]1NC1CCS(=O)(=O)CC1 ZINC000389897746 357062930 /nfs/dbraw/zinc/06/29/30/357062930.db2.gz BEHUMUJRJHARQD-NXEZZACHSA-N 0 3 233.333 0.331 20 0 BCADHN COC(=O)N1CC(N[C@H](C)[C@@H](C)OC)C1 ZINC000389936892 357071145 /nfs/dbraw/zinc/07/11/45/357071145.db2.gz NGNCGUROFCIILX-HTQZYQBOSA-N 0 3 216.281 0.450 20 0 BCADHN COC(=O)N1CC(NC[C@H]2CCSC2)C1 ZINC000389955081 357073245 /nfs/dbraw/zinc/07/32/45/357073245.db2.gz UAVDJYRCMIPEPB-MRVPVSSYSA-N 0 3 230.333 0.780 20 0 BCADHN C[C@]1(C(=O)NCCc2cnccn2)CCCCN1 ZINC000389997050 357081689 /nfs/dbraw/zinc/08/16/89/357081689.db2.gz IEDPSSUCZWQWDF-CYBMUJFWSA-N 0 3 248.330 0.668 20 0 BCADHN COCCOC[C@H](C)NC[C@H](O)C(F)(F)F ZINC000582355763 357098768 /nfs/dbraw/zinc/09/87/68/357098768.db2.gz ZGYZIJHEBBGLEV-YUMQZZPRSA-N 0 3 245.241 0.551 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@H]1CSC ZINC000399963932 357135925 /nfs/dbraw/zinc/13/59/25/357135925.db2.gz NYLMLPCVFVVGTL-IUCAKERBSA-N 0 3 216.350 0.948 20 0 BCADHN CC(C)CNC(=O)CN1CCCC[C@@H](CO)C1 ZINC000374049456 357153093 /nfs/dbraw/zinc/15/30/93/357153093.db2.gz KALCCIXBWJIMTM-GFCCVEGCSA-N 0 3 242.363 0.853 20 0 BCADHN C[C@H]1C[C@H](NC2CN(c3ccncn3)C2)CO1 ZINC000631256351 357159035 /nfs/dbraw/zinc/15/90/35/357159035.db2.gz DRDWAUMYQYISLT-UWVGGRQHSA-N 0 3 234.303 0.432 20 0 BCADHN CC(C)CN1CCN([C@H]2COC[C@H]2O)CC1 ZINC000304235506 357160526 /nfs/dbraw/zinc/16/05/26/357160526.db2.gz MBYXRTGSMRSKQM-NWDGAFQWSA-N 0 3 228.336 0.020 20 0 BCADHN NC(=O)C1(CNCC2(F)CC2)CCOCC1 ZINC000390798544 357116642 /nfs/dbraw/zinc/11/66/42/357116642.db2.gz VHYZZSIJYIMHFY-UHFFFAOYSA-N 0 3 230.283 0.360 20 0 BCADHN CCOC(=O)COCCN(C)[C@H]1C[C@@H](OC)C1 ZINC000583686093 357118289 /nfs/dbraw/zinc/11/82/89/357118289.db2.gz MNQZPCGXZWWHHK-PHIMTYICSA-N 0 3 245.319 0.675 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC(=O)N(CC)C1 ZINC000391571039 357130884 /nfs/dbraw/zinc/13/08/84/357130884.db2.gz MFDREBHRMFMFIX-NGZCFLSTSA-N 0 3 241.335 0.097 20 0 BCADHN CCC[C@H](C)NCc1cn(CC(=O)OC)nn1 ZINC000090707826 363579280 /nfs/dbraw/zinc/57/92/80/363579280.db2.gz FRTMYNWERCIUQG-VIFPVBQESA-N 0 3 240.307 0.729 20 0 BCADHN CCc1nc(CN2CC[C@H]3OCC[C@H]3C2)n[nH]1 ZINC000376057333 357193708 /nfs/dbraw/zinc/19/37/08/357193708.db2.gz YNUMCGGWDRPGPO-VHSXEESVSA-N 0 3 236.319 0.978 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N1CC[C@@H](CO)C1 ZINC000305718073 357202980 /nfs/dbraw/zinc/20/29/80/357202980.db2.gz VAQAZUKHCBJBRK-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN Cn1cccc1CNC1CN(c2ccncn2)C1 ZINC000631258320 357220895 /nfs/dbraw/zinc/22/08/95/357220895.db2.gz QIMKCDUXLVHDCZ-UHFFFAOYSA-N 0 3 243.314 0.794 20 0 BCADHN OC[C@@H]1CN(Cc2ccc(O)cc2)C[C@H]1CO ZINC000628414101 357229575 /nfs/dbraw/zinc/22/95/75/357229575.db2.gz QDDCMZJIMYOVIJ-RYUDHWBXSA-N 0 3 237.299 0.425 20 0 BCADHN O[C@H]1CN(C[C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1O ZINC000628414873 357230451 /nfs/dbraw/zinc/23/04/51/357230451.db2.gz SPFLJFSCUZLYQC-CRWXNKLISA-N 0 3 233.311 0.828 20 0 BCADHN O[C@H]1CN(Cc2cccc3cnccc32)C[C@@H]1O ZINC000628414823 357230509 /nfs/dbraw/zinc/23/05/09/357230509.db2.gz OFJBDIRAXMBLAZ-KBPBESRZSA-N 0 3 244.294 0.772 20 0 BCADHN O[C@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@@H]1O ZINC000628415268 357233453 /nfs/dbraw/zinc/23/34/53/357233453.db2.gz SBCCSGORFNOAAO-STQMWFEESA-N 0 3 232.283 0.705 20 0 BCADHN CC[C@@H](O)CCNC(=O)CN(CC)CC ZINC000305068413 357181633 /nfs/dbraw/zinc/18/16/33/357181633.db2.gz JWVLSGSXTOEWBE-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN CO[C@@H](C)[C@@H](C)N[C@@H]1COC[C@H]1OC ZINC000583693584 357182504 /nfs/dbraw/zinc/18/25/04/357182504.db2.gz ZKZMOBCMJCJRGK-UTINFBMNSA-N 0 3 203.282 0.413 20 0 BCADHN CN(C)CCSCC[C@@H]1CCNC1=O ZINC000583703379 357283522 /nfs/dbraw/zinc/28/35/22/357283522.db2.gz VTFOCOIYZWGHIX-VIFPVBQESA-N 0 3 216.350 0.807 20 0 BCADHN C[C@@H](O)CC(C)(C)CNC(=O)C1(N)CCC1 ZINC000393593938 357288010 /nfs/dbraw/zinc/28/80/10/357288010.db2.gz AYKQQBBPPAAQKM-SECBINFHSA-N 0 3 228.336 0.781 20 0 BCADHN CCOCCOC[C@@H](O)CNCC1(F)CC1 ZINC000393781099 357298689 /nfs/dbraw/zinc/29/86/89/357298689.db2.gz RTKBVXAOEWGALO-JTQLQIEISA-N 0 3 235.299 0.492 20 0 BCADHN CN1CC=C(CNc2ccnc(C(N)=O)c2)CC1 ZINC000392840957 357245325 /nfs/dbraw/zinc/24/53/25/357245325.db2.gz ZPCWCYPLVWLFPE-UHFFFAOYSA-N 0 3 246.314 0.276 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000393921980 357307216 /nfs/dbraw/zinc/30/72/16/357307216.db2.gz VETNUHQUJBSKMB-XLPZGREQSA-N 0 3 236.262 0.389 20 0 BCADHN COC1CCN(CCNC(C)=O)CC1 ZINC000197185816 538823099 /nfs/dbraw/zinc/82/30/99/538823099.db2.gz HYWJKNVPELPBFT-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000040457694 357274103 /nfs/dbraw/zinc/27/41/03/357274103.db2.gz CININPICVKXOIB-IVZWLZJFSA-N 0 3 212.293 0.504 20 0 BCADHN O=C(CNC1CC1)N1CCN2CCC1CC2 ZINC000582723546 357372191 /nfs/dbraw/zinc/37/21/91/357372191.db2.gz LWBPZDYRPSXPMI-UHFFFAOYSA-N 0 3 223.320 0.045 20 0 BCADHN CSCC[C@H](N)C(=O)NCC(F)(F)F ZINC000040458752 357324636 /nfs/dbraw/zinc/32/46/36/357324636.db2.gz HIZDPIDIVDCLHM-YFKPBYRVSA-N 0 3 230.255 0.745 20 0 BCADHN CO[C@@H](C)[C@@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000582519849 357324734 /nfs/dbraw/zinc/32/47/34/357324734.db2.gz SZPIJVMLLAXGAD-VWYCJHECSA-N 0 3 243.351 0.803 20 0 BCADHN CO[C@H]1CCN(CCNC(=O)NC(C)C)C1 ZINC000582543321 357330263 /nfs/dbraw/zinc/33/02/63/357330263.db2.gz ANGYQDOBGAIIAQ-JTQLQIEISA-N 0 3 229.324 0.415 20 0 BCADHN CC(C)[N@H+](CCO)Cc1ncccc1[O-] ZINC000582573768 357342124 /nfs/dbraw/zinc/34/21/24/357342124.db2.gz UZJYRZHGEBGTIW-UHFFFAOYSA-N 0 3 210.277 0.990 20 0 BCADHN N[C@H]1CCCc2cn(CC(=O)NC3CC3)nc21 ZINC000582601228 357347179 /nfs/dbraw/zinc/34/71/79/357347179.db2.gz VUDANKQBEGOQLF-JTQLQIEISA-N 0 3 234.303 0.498 20 0 BCADHN CNC(=O)[C@H](C)N[C@@H]1[C@H](C)[C@@H](OC)C12CCC2 ZINC000582599252 357347542 /nfs/dbraw/zinc/34/75/42/357347542.db2.gz YWQCIZXCROSMPX-UKKRHICBSA-N 0 3 240.347 0.914 20 0 BCADHN CCN(C)CCNC(=O)c1c(C)onc1CO ZINC000582613810 357353381 /nfs/dbraw/zinc/35/33/81/357353381.db2.gz HCSUEULGPNSLHT-UHFFFAOYSA-N 0 3 241.291 0.157 20 0 BCADHN CC(C)([NH3+])C[N-]S(=O)(=O)c1ccccc1F ZINC000168391161 134197595 /nfs/dbraw/zinc/19/75/95/134197595.db2.gz KDSCYACGGSEFFM-UHFFFAOYSA-N 0 3 246.307 0.841 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C[C@@H](C)CC)C(=O)OC ZINC000582667281 357358897 /nfs/dbraw/zinc/35/88/97/357358897.db2.gz KVENNTIKHUAUGG-IVZWLZJFSA-N 0 3 244.335 0.818 20 0 BCADHN COCC[C@@H](CO)N[C@@H](C)c1cncnc1C ZINC000582676277 357362102 /nfs/dbraw/zinc/36/21/02/357362102.db2.gz FGRYMFUHEYWKRV-QWRGUYRKSA-N 0 3 239.319 0.833 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)CNC(C)C ZINC000582736602 357377777 /nfs/dbraw/zinc/37/77/77/357377777.db2.gz BXCJFBYQDJWVRM-VHSXEESVSA-N 0 3 244.335 0.688 20 0 BCADHN C[C@@H](CNC(=O)COC[C@H]1CCCO1)N(C)C ZINC000582712384 357368912 /nfs/dbraw/zinc/36/89/12/357368912.db2.gz BHALAKUWZKWILT-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN COCCCCNC(=O)[C@@H](C)NC1CC1 ZINC000394867467 357384733 /nfs/dbraw/zinc/38/47/33/357384733.db2.gz KALRVXGJQFORMZ-SECBINFHSA-N 0 3 214.309 0.670 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCc1cccnc1 ZINC000394884340 357387196 /nfs/dbraw/zinc/38/71/96/357387196.db2.gz OHOLCZNXWDLTRS-SECBINFHSA-N 0 3 219.288 0.838 20 0 BCADHN CCN(CCC(=O)NC(N)=O)Cc1ccoc1 ZINC000102408236 357388223 /nfs/dbraw/zinc/38/82/23/357388223.db2.gz LPQZGWCBUJUSCP-UHFFFAOYSA-N 0 3 239.275 0.687 20 0 BCADHN CC[C@H]1C[C@H](NC(=O)CNC2CC2)CCO1 ZINC000582780234 357389785 /nfs/dbraw/zinc/38/97/85/357389785.db2.gz IXZLQGBPYKKHOI-MNOVXSKESA-N 0 3 226.320 0.812 20 0 BCADHN CC(C)[C@H](O)CNC[C@H](C)S(C)(=O)=O ZINC000582846005 357409779 /nfs/dbraw/zinc/40/97/79/357409779.db2.gz TVCXWWBNJJZBRN-DTWKUNHWSA-N 0 3 223.338 0.026 20 0 BCADHN CC[C@@H](CCO)CNC(=O)[C@@H](C)NC1CC1 ZINC000395071502 357410773 /nfs/dbraw/zinc/41/07/73/357410773.db2.gz MOGTYJKVIRIQIZ-ZJUUUORDSA-N 0 3 228.336 0.652 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NC[C@H]1CCCOC1 ZINC000395074698 357411005 /nfs/dbraw/zinc/41/10/05/357411005.db2.gz NUNYEINZWUCZSQ-NXEZZACHSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NC[C@@H]1CCCOC1 ZINC000395074701 357411055 /nfs/dbraw/zinc/41/10/55/357411055.db2.gz NUNYEINZWUCZSQ-ZJUUUORDSA-N 0 3 226.320 0.670 20 0 BCADHN CC[C@@H](N)C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000582846639 357418314 /nfs/dbraw/zinc/41/83/14/357418314.db2.gz KVTOKLMUWOOBRU-DTWKUNHWSA-N 0 3 243.351 0.485 20 0 BCADHN C[C@H](CCS(C)(=O)=O)N[C@H]1COC(C)(C)C1 ZINC000582857596 357421554 /nfs/dbraw/zinc/42/15/54/357421554.db2.gz WCWFNKKIUZWOCW-NXEZZACHSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H]1CCN(CC(=O)NC[C@H](CO)C2CC2)C1 ZINC000583154007 357496448 /nfs/dbraw/zinc/49/64/48/357496448.db2.gz SAUFGVNPHFCKOY-ZYHUDNBSSA-N 0 3 240.347 0.463 20 0 BCADHN CC[C@](C)(O)CNCc1cnc(C)n1C ZINC000583154895 357497674 /nfs/dbraw/zinc/49/76/74/357497674.db2.gz JOMJYGMGXXNTJQ-NSHDSACASA-N 0 3 211.309 0.979 20 0 BCADHN CCOC[C@@H](O)CN[C@H]1CCCc2c[nH]nc21 ZINC000583139088 357499332 /nfs/dbraw/zinc/49/93/32/357499332.db2.gz VLOWIHBZUHAXBV-QWRGUYRKSA-N 0 3 239.319 0.774 20 0 BCADHN C[C@H](CNCC[C@@H]1CCCCO1)S(C)(=O)=O ZINC000583020678 357451317 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CHEYJNGGMJBDRV-DTWKUNHWSA-N 0 3 238.291 0.288 20 0 BCADHN Cc1cnccc1CCN1CCN(CCO)CC1 ZINC000397642254 357618452 /nfs/dbraw/zinc/61/84/52/357618452.db2.gz QMNQKRKKZGTLKF-UHFFFAOYSA-N 0 3 249.358 0.542 20 0 BCADHN CCNC(=O)c1cc2n(n1)CCC[C@H]2N ZINC000685947895 538889764 /nfs/dbraw/zinc/88/97/64/538889764.db2.gz SVWPRPMMKOAFDC-SSDOTTSWSA-N 0 3 208.265 0.426 20 0 BCADHN CCCNC(=O)CN1CCC[C@]1(CC)CO ZINC000189680280 357657099 /nfs/dbraw/zinc/65/70/99/357657099.db2.gz XDSMACURZIHQGB-GFCCVEGCSA-N 0 3 228.336 0.750 20 0 BCADHN CC[C@@]1(CO)CCCN1CC(=O)N(C)C ZINC000189692385 357657981 /nfs/dbraw/zinc/65/79/81/357657981.db2.gz CNKLOMGLNYWXPR-NSHDSACASA-N 0 3 214.309 0.312 20 0 BCADHN CC(C)CNC(=O)CN[C@H]1CCO[C@H]1C1CC1 ZINC000232613639 357669519 /nfs/dbraw/zinc/66/95/19/357669519.db2.gz FFPUCVBJCRFKPA-AAEUAGOBSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@]1(O)CCN(CCO[C@@H]2CCCCO2)C1 ZINC000189843380 357673168 /nfs/dbraw/zinc/67/31/68/357673168.db2.gz UHTYMFQAYHVQSP-NEPJUHHUSA-N 0 3 229.320 0.986 20 0 BCADHN OCCN(CCO)C[C@@H](O)C1CCCCC1 ZINC000190513901 357714076 /nfs/dbraw/zinc/71/40/76/357714076.db2.gz DITKNBCXDDYSIW-GFCCVEGCSA-N 0 3 231.336 0.214 20 0 BCADHN C[C@@H]1CCNC(=O)[C@@H]1NCCOCC1CCC1 ZINC000583253735 357723923 /nfs/dbraw/zinc/72/39/23/357723923.db2.gz MMLUWJJUOQBNSW-ZYHUDNBSSA-N 0 3 240.347 0.917 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190839252 357726889 /nfs/dbraw/zinc/72/68/89/357726889.db2.gz GHDYLQHLDOBKKT-UTUOFQBUSA-N 0 3 242.363 0.802 20 0 BCADHN CC(C)(C)CCCCNc1nc(N)nc(N)n1 ZINC000623939263 357731600 /nfs/dbraw/zinc/73/16/00/357731600.db2.gz KSIPANRNSBRKNL-UHFFFAOYSA-N 0 3 238.339 0.747 20 0 BCADHN CCc1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000234160294 357775534 /nfs/dbraw/zinc/77/55/34/357775534.db2.gz JZKSENYVGSDGQK-STQMWFEESA-N 0 3 221.300 0.786 20 0 BCADHN CN1CCCN(CCN2CCCCC2)CC1=O ZINC000191125471 357751740 /nfs/dbraw/zinc/75/17/40/357751740.db2.gz UQYDXQKRCAPDLB-UHFFFAOYSA-N 0 3 239.363 0.636 20 0 BCADHN COCCOCCN1[C@@H](C)CC(O)C[C@@H]1C ZINC000191276684 357761161 /nfs/dbraw/zinc/76/11/61/357761161.db2.gz FOQZCRXVXOEUJE-QWRGUYRKSA-N 0 3 231.336 0.883 20 0 BCADHN CCN1CCN(CCN2CCOC[C@H]2C)CC1 ZINC000191406373 357769295 /nfs/dbraw/zinc/76/92/95/357769295.db2.gz KVJBICWWXKBZEY-CYBMUJFWSA-N 0 3 241.379 0.345 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC[C@H](CO)C1 ZINC000191407750 357769681 /nfs/dbraw/zinc/76/96/81/357769681.db2.gz PBYOJTIKVSTDOA-OLZOCXBDSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@@H]1CN(CCN2CCC(O)CC2)CCO1 ZINC000191417017 357770315 /nfs/dbraw/zinc/77/03/15/357770315.db2.gz HDMOXEHQKAZSSZ-LLVKDONJSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@H]1COCCN1CCN1CCC(O)CC1 ZINC000191417054 357770319 /nfs/dbraw/zinc/77/03/19/357770319.db2.gz LRDSBTRRPNDGND-NSHDSACASA-N 0 3 228.336 0.164 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC(CO)CC1 ZINC000191438304 357770389 /nfs/dbraw/zinc/77/03/89/357770389.db2.gz ZUWBFSNEZLINSK-GFCCVEGCSA-N 0 3 242.363 0.411 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)[C@H](C)OC ZINC000191469752 357772353 /nfs/dbraw/zinc/77/23/53/357772353.db2.gz QPLYBTAZNVXZMG-UWVGGRQHSA-N 0 3 216.325 0.868 20 0 BCADHN CN1CC[C@H](N[C@@H]2CCO[C@@H]2C2CC2)C1=O ZINC000234365682 357792622 /nfs/dbraw/zinc/79/26/22/357792622.db2.gz WDEBZNKZVUOFMP-OUAUKWLOSA-N 0 3 224.304 0.374 20 0 BCADHN CN[C@H](C)C(=O)N[C@@H](C)C[C@H]1CCCO1 ZINC000583273657 357792866 /nfs/dbraw/zinc/79/28/66/357792866.db2.gz XDAYLSQWTJEFIQ-IVZWLZJFSA-N 0 3 214.309 0.668 20 0 BCADHN CNC(=O)[C@@H](C)NC(=O)[C@H]1NCCCC1(C)C ZINC000234393905 357797039 /nfs/dbraw/zinc/79/70/39/357797039.db2.gz UTHGVEIYIWNQPV-RKDXNWHRSA-N 0 3 241.335 0.015 20 0 BCADHN CCC[C@@H](C(=O)N1C[C@@H](C)[C@H](CO)C1)N(C)C ZINC000191844963 357809085 /nfs/dbraw/zinc/80/90/85/357809085.db2.gz ZHOVPENMDCMZDF-WOPDTQHZSA-N 0 3 242.363 0.804 20 0 BCADHN COCCCNC(=O)[C@H]1NCCCC1(C)C ZINC000234615515 357821016 /nfs/dbraw/zinc/82/10/16/357821016.db2.gz TVDNXKQBFRTCBY-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN CCN(CCCCn1ccnc1C)CC(N)=O ZINC000191715479 357789388 /nfs/dbraw/zinc/78/93/88/357789388.db2.gz NRRQFTZUOQVBQW-UHFFFAOYSA-N 0 3 238.335 0.779 20 0 BCADHN CC[C@@H]1CCCN(C(=O)CNCCOC)C1 ZINC000086158001 357861982 /nfs/dbraw/zinc/86/19/82/357861982.db2.gz DFONUBHITFXZSR-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@@H](O)CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000192970882 357862115 /nfs/dbraw/zinc/86/21/15/357862115.db2.gz FANNOAYUVZVUPE-ZJUUUORDSA-N 0 3 209.293 0.970 20 0 BCADHN CCCCNC(=O)CN[C@H](CO)C(C)C ZINC000086124213 357854947 /nfs/dbraw/zinc/85/49/47/357854947.db2.gz KNADQILWHBDFGS-SNVBAGLBSA-N 0 3 216.325 0.509 20 0 BCADHN C[C@@H](O)CN1CCCC[C@@]1(C)C(N)=O ZINC000192801125 357855084 /nfs/dbraw/zinc/85/50/84/357855084.db2.gz ISTQBEBNZGCFFI-SCZZXKLOSA-N 0 3 200.282 0.097 20 0 BCADHN CC(=O)CCN1CCC(NC(=O)C2CC2)CC1 ZINC000192882570 357857732 /nfs/dbraw/zinc/85/77/32/357857732.db2.gz ZONFOEUVQXBBBE-UHFFFAOYSA-N 0 3 238.331 0.956 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN1CCCOCC1 ZINC000234710612 357826026 /nfs/dbraw/zinc/82/60/26/357826026.db2.gz DHILSUOOXRNJIQ-RYUDHWBXSA-N 0 3 247.335 0.121 20 0 BCADHN CO[C@@H]1CCN(C(=O)C2(N)CCCCC2)C1 ZINC000234794578 357828578 /nfs/dbraw/zinc/82/85/78/357828578.db2.gz LGZFKBYJGZTODL-SNVBAGLBSA-N 0 3 226.320 0.895 20 0 BCADHN CO[C@H]1C[C@H](NCC(=O)NC(C)C)C1(C)C ZINC000234794074 357829196 /nfs/dbraw/zinc/82/91/96/357829196.db2.gz RUDIDJJNABZJJV-UWVGGRQHSA-N 0 3 228.336 0.914 20 0 BCADHN Cc1ocnc1CNC[C@@H](O)CN(C)C1CC1 ZINC000398032591 357830306 /nfs/dbraw/zinc/83/03/06/357830306.db2.gz QOTYBUWGZDRUNB-LLVKDONJSA-N 0 3 239.319 0.528 20 0 BCADHN C=Cn1cc(CNC[C@@]2(OC)CCOC2)cn1 ZINC000234832326 357833635 /nfs/dbraw/zinc/83/36/35/357833635.db2.gz GDYMJSZLUSQZQL-LBPRGKRZSA-N 0 3 237.303 0.879 20 0 BCADHN COC[C@@H](C)OC[C@@H](O)CN(C)C1CC1 ZINC000234742770 357834321 /nfs/dbraw/zinc/83/43/21/357834321.db2.gz PBYCUQHYZLFFCB-KOLCDFICSA-N 0 3 217.309 0.493 20 0 BCADHN Cc1noc(C2CCN(C[C@H](C)O)CC2)n1 ZINC000192972371 357861728 /nfs/dbraw/zinc/86/17/28/357861728.db2.gz DJCYUJPOVVJUPC-QMMMGPOBSA-N 0 3 225.292 0.938 20 0 BCADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(F)F ZINC000235371661 357868385 /nfs/dbraw/zinc/86/83/85/357868385.db2.gz VIQHPRMFBPPLMO-HTQZYQBOSA-N 0 3 218.247 0.947 20 0 BCADHN CN(C[C@H](O)C(F)(F)F)C[C@@H]1CCCN1C ZINC000086189585 357871912 /nfs/dbraw/zinc/87/19/12/357871912.db2.gz POFAIZREDLXRRI-IUCAKERBSA-N 0 3 240.269 0.936 20 0 BCADHN C[C@]1(CO)CCCN1CC(=O)N1CCC1 ZINC000546104243 325265353 /nfs/dbraw/zinc/26/53/53/325265353.db2.gz JKTKBHHUIATUSK-LLVKDONJSA-N 0 3 212.293 0.066 20 0 BCADHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)N(C)C ZINC000235528128 357876400 /nfs/dbraw/zinc/87/64/00/357876400.db2.gz MKSJMBLRWSEPIG-JMJZKYOTSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@H](O)C1CCN(CCN2CCNC2=O)CC1 ZINC000235545324 357878067 /nfs/dbraw/zinc/87/80/67/357878067.db2.gz ZTUUYTKNLQSBTA-JTQLQIEISA-N 0 3 241.335 0.104 20 0 BCADHN CCN(CC(C)(C)O)[C@@H]1CCCCNC1=O ZINC000086274793 357879567 /nfs/dbraw/zinc/87/95/67/357879567.db2.gz XJRLYUCCZPODDZ-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@@H](N)C1CCC1 ZINC000399001544 357892524 /nfs/dbraw/zinc/89/25/24/357892524.db2.gz CUOOIARYNZGIHF-NSHDSACASA-N 0 3 241.335 0.146 20 0 BCADHN CC(C)(C)NC(=O)CNC(=O)[C@@H](N)C1CCC1 ZINC000398998875 357892830 /nfs/dbraw/zinc/89/28/30/357892830.db2.gz BLCUHBJXQMYRPK-JTQLQIEISA-N 0 3 241.335 0.145 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H](N)C2CCC2)CCO1 ZINC000399012702 357894207 /nfs/dbraw/zinc/89/42/07/357894207.db2.gz ZAMKMHZZVHCNRO-DVVUODLYSA-N 0 3 226.320 0.798 20 0 BCADHN CCO[C@@H]1C[C@H](O)C12CCN(C[C@@H](C)O)CC2 ZINC000192985359 357863524 /nfs/dbraw/zinc/86/35/24/357863524.db2.gz BTIWTLVOCXNTJR-GRYCIOLGSA-N 0 3 243.347 0.619 20 0 BCADHN C[C@H](Cn1ccnc1)NC(=O)[C@@H](N)C1CCC1 ZINC000399178941 357897274 /nfs/dbraw/zinc/89/72/74/357897274.db2.gz KWJLSBGCXWXDNJ-KOLCDFICSA-N 0 3 236.319 0.515 20 0 BCADHN Cc1noc(CNC(=O)[C@H](N)C2CCC2)n1 ZINC000399171950 357897390 /nfs/dbraw/zinc/89/73/90/357897390.db2.gz ITULJJRZQCOIGI-SECBINFHSA-N 0 3 224.264 0.122 20 0 BCADHN N[C@@H](C(=O)NCc1csc(=O)[nH]1)C1CCC1 ZINC000399175173 357897416 /nfs/dbraw/zinc/89/74/16/357897416.db2.gz JOQUNOHOFYILLJ-MRVPVSSYSA-N 0 3 241.316 0.592 20 0 BCADHN N[C@H](C(=O)NCc1csc(=O)[nH]1)C1CCC1 ZINC000399175177 357897894 /nfs/dbraw/zinc/89/78/94/357897894.db2.gz JOQUNOHOFYILLJ-QMMMGPOBSA-N 0 3 241.316 0.592 20 0 BCADHN COCCCNC(=O)[C@H](N)C1CCC1 ZINC000399177487 357897930 /nfs/dbraw/zinc/89/79/30/357897930.db2.gz IGTXIZUCYPRMOM-SECBINFHSA-N 0 3 200.282 0.267 20 0 BCADHN Cc1nc([C@H]2CCCN2C(=O)[C@@H]2C[C@@H]2N)no1 ZINC000583316643 357899227 /nfs/dbraw/zinc/89/92/27/357899227.db2.gz GJDLJKXZWOGPPQ-HRDYMLBCSA-N 0 3 236.275 0.389 20 0 BCADHN CC[C@@H](N)C(=O)N(C)C[C@H]1CCOC1 ZINC000399243499 357899554 /nfs/dbraw/zinc/89/95/54/357899554.db2.gz JODAXKQYIBNPSG-RKDXNWHRSA-N 0 3 200.282 0.219 20 0 BCADHN CC(C)n1cc(CNCCc2nnc[nH]2)cn1 ZINC000217857073 357911695 /nfs/dbraw/zinc/91/16/95/357911695.db2.gz MRHRUHDXVADIPQ-UHFFFAOYSA-N 0 3 234.307 0.914 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CC12CCCCC2 ZINC000387302310 357914339 /nfs/dbraw/zinc/91/43/39/357914339.db2.gz PBVOGVMZRAFGIZ-NXEZZACHSA-N 0 3 226.320 0.799 20 0 BCADHN O=C1C[C@H](N2CC[C@H](C3CCCC3)C2)C(=O)N1 ZINC000584418376 357915460 /nfs/dbraw/zinc/91/54/60/357915460.db2.gz VZBGKALTZNZPLO-QWRGUYRKSA-N 0 3 236.315 0.914 20 0 BCADHN C[C@H](NC(=O)CN1CC[C@H](C)C1)c1cn[nH]c1 ZINC000584419472 357917370 /nfs/dbraw/zinc/91/73/70/357917370.db2.gz HJYALRMMNNDEDV-UWVGGRQHSA-N 0 3 236.319 0.929 20 0 BCADHN C[C@H](C1CC1)N(C)CC(=O)N1CCNC1=O ZINC000073779525 357929974 /nfs/dbraw/zinc/92/99/74/357929974.db2.gz DEUBQVOLCUSZJZ-MRVPVSSYSA-N 0 3 225.292 0.269 20 0 BCADHN C[C@@H](CN[C@H](CO)CC1CCC1)S(C)(=O)=O ZINC000583752963 357934819 /nfs/dbraw/zinc/93/48/19/357934819.db2.gz IWQKMAIPFPZSRL-ONGXEEELSA-N 0 3 249.376 0.560 20 0 BCADHN OCc1ccc(CNC[C@]2(O)CCOC2)o1 ZINC000229640884 491117214 /nfs/dbraw/zinc/11/72/14/491117214.db2.gz UEUYSNOPHONTME-LLVKDONJSA-N 0 3 227.260 0.013 20 0 BCADHN C[C@@H]1CCN(CCN2CCNC2=O)[C@H](CO)C1 ZINC000639938270 357948019 /nfs/dbraw/zinc/94/80/19/357948019.db2.gz QDYNLXUJDGDQRT-MNOVXSKESA-N 0 3 241.335 0.104 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H]1CCCC[C@H]1O ZINC000583810519 357955602 /nfs/dbraw/zinc/95/56/02/357955602.db2.gz SSWYJYPFTJNKBY-LNFKQOIKSA-N 0 3 215.293 0.293 20 0 BCADHN COC[C@](C)(O)CCNCc1cnc(C)n1C ZINC000583824005 357958969 /nfs/dbraw/zinc/95/89/69/357958969.db2.gz PNMQNTXDQFXIPO-GFCCVEGCSA-N 0 3 241.335 0.606 20 0 BCADHN COC[C@@](C)(CO)NCCc1ccccn1 ZINC000639952734 357974320 /nfs/dbraw/zinc/97/43/20/357974320.db2.gz SFHXNRHWWWDTIG-GFCCVEGCSA-N 0 3 224.304 0.611 20 0 BCADHN COC[C@](C)(CO)NC[C@H]1CC(C)(C)CO1 ZINC000639956043 357977859 /nfs/dbraw/zinc/97/78/59/357977859.db2.gz BKAAGEZAGBJIBL-PWSUYJOCSA-N 0 3 231.336 0.789 20 0 BCADHN COC[C@](C)(CO)NC[C@H](O)CC(F)(F)F ZINC000639956897 357980107 /nfs/dbraw/zinc/98/01/07/357980107.db2.gz FVVJMOYXOPSCKH-SFYZADRCSA-N 0 3 245.241 0.287 20 0 BCADHN COC[C@@](C)(CO)NCCOC1CCOCC1 ZINC000639958540 357983509 /nfs/dbraw/zinc/98/35/09/357983509.db2.gz VBWVYLAUCBOQOI-GFCCVEGCSA-N 0 3 247.335 0.169 20 0 BCADHN COC[C@](C)(CO)NCCOCC(F)(F)F ZINC000639954958 357987054 /nfs/dbraw/zinc/98/70/54/357987054.db2.gz HMTVMWWGNCUVTG-QMMMGPOBSA-N 0 3 245.241 0.552 20 0 BCADHN CC[C@@H](N)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000584470846 357989554 /nfs/dbraw/zinc/98/95/54/357989554.db2.gz MDRRNVSNOAGFEW-IVZWLZJFSA-N 0 3 214.309 0.343 20 0 BCADHN COC(=O)CCNC(=O)CN(C(C)C)C1CC1 ZINC000075610166 325302656 /nfs/dbraw/zinc/30/26/56/325302656.db2.gz RATPZRBKPBOTMJ-UHFFFAOYSA-N 0 3 242.319 0.539 20 0 BCADHN C[C@H]1CSC[C@@H]1N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000628453557 358009858 /nfs/dbraw/zinc/00/98/58/358009858.db2.gz JJMUVSCHRYHNQM-JLIMGVALSA-N 0 3 249.401 0.903 20 0 BCADHN CO[C@@H](C)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000168668326 134240584 /nfs/dbraw/zinc/24/05/84/134240584.db2.gz BSWDSZRNOMCGAI-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@H](CNS(C)(=O)=O)N1CCCC1 ZINC000036077168 358014921 /nfs/dbraw/zinc/01/49/21/358014921.db2.gz XKCZILSUEVAKND-MRVPVSSYSA-N 0 3 206.311 0.020 20 0 BCADHN CSCCCN1C[C@H](O)C[C@H](O)C1 ZINC000610604357 358015995 /nfs/dbraw/zinc/01/59/95/358015995.db2.gz NIAZCKRGMAEWMJ-DTORHVGOSA-N 0 3 205.323 0.167 20 0 BCADHN CO[C@@H]1CN(Cc2cn[nH]c2)[C@@](C)(CO)C1 ZINC000639998131 358036008 /nfs/dbraw/zinc/03/60/08/358036008.db2.gz CUJHMFOGUSNPTB-WDEREUQCSA-N 0 3 225.292 0.381 20 0 BCADHN CN(C)C1(CNC(=O)Nc2ccnn2C)CC1 ZINC000639966949 358020953 /nfs/dbraw/zinc/02/09/53/358020953.db2.gz FAMDRTYCAAFLNU-UHFFFAOYSA-N 0 3 237.307 0.636 20 0 BCADHN CO[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000168803503 134246915 /nfs/dbraw/zinc/24/69/15/134246915.db2.gz DQVIMDXLXNJPER-AXFHLTTASA-N 0 3 226.320 0.716 20 0 BCADHN O=C(CNC1CC1)NCCCn1ccnc1 ZINC000037476925 358071105 /nfs/dbraw/zinc/07/11/05/358071105.db2.gz KUPASVZMWBRSTJ-UHFFFAOYSA-N 0 3 222.292 0.141 20 0 BCADHN COC(=O)C(C)(C)NC(=O)CNC(C)C ZINC000037477235 358071486 /nfs/dbraw/zinc/07/14/86/358071486.db2.gz LEYJRFJCYFRVED-UHFFFAOYSA-N 0 3 216.281 0.052 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000037481504 358072742 /nfs/dbraw/zinc/07/27/42/358072742.db2.gz OFDHDTCZOLGHHS-GZMMTYOYSA-N 0 3 229.324 0.097 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000037481503 358073016 /nfs/dbraw/zinc/07/30/16/358073016.db2.gz OFDHDTCZOLGHHS-KWQFWETISA-N 0 3 229.324 0.097 20 0 BCADHN CO[C@@H]1CN(CCn2cccn2)[C@](C)(CO)C1 ZINC000640007345 358073816 /nfs/dbraw/zinc/07/38/16/358073816.db2.gz DEHNYLKJHFBEFG-RYUDHWBXSA-N 0 3 239.319 0.355 20 0 BCADHN Cc1cc(NC(=O)[C@H](C)N)ccc1-n1cnnn1 ZINC000037045173 358065118 /nfs/dbraw/zinc/06/51/18/358065118.db2.gz XPSSBUCIXBHNPX-QMMMGPOBSA-N 0 3 246.274 0.256 20 0 BCADHN NC(=O)Nc1cccc(NC(=O)CNC2CC2)c1 ZINC000037609619 358083265 /nfs/dbraw/zinc/08/32/65/358083265.db2.gz QEQOGBDVZNRNLE-UHFFFAOYSA-N 0 3 248.286 0.868 20 0 BCADHN Cc1nc(CNC(=O)C2(N)CC2)sc1C ZINC000169277379 134250187 /nfs/dbraw/zinc/25/01/87/134250187.db2.gz KWGZPYXFXZFOCM-UHFFFAOYSA-N 0 3 225.317 0.867 20 0 BCADHN CCn1ccnc1CNC[C@@H](C)N(C)C ZINC000051923978 358101290 /nfs/dbraw/zinc/10/12/90/358101290.db2.gz DVVLLQNKIONOTH-SNVBAGLBSA-N 0 3 210.325 0.943 20 0 BCADHN CC[C@@]1(O)CCCN(C[C@](C)(O)C(C)=O)C1 ZINC000640035548 358134976 /nfs/dbraw/zinc/13/49/76/358134976.db2.gz LHVDJKPPOPFDHR-NWDGAFQWSA-N 0 3 229.320 0.563 20 0 BCADHN O=c1ccccn1CCN1C[C@H](O)C[C@@H]1C1CC1 ZINC000640028092 358116135 /nfs/dbraw/zinc/11/61/35/358116135.db2.gz QOFGPDFTBWKZDT-CHWSQXEVSA-N 0 3 248.326 0.694 20 0 BCADHN O=c1ccccn1CCN1C[C@@H](O)C[C@H]1C1CC1 ZINC000640028137 358116950 /nfs/dbraw/zinc/11/69/50/358116950.db2.gz QOFGPDFTBWKZDT-STQMWFEESA-N 0 3 248.326 0.694 20 0 BCADHN CC[C@@H](O)CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640042198 358140274 /nfs/dbraw/zinc/14/02/74/358140274.db2.gz NHLLCYUHOSLQTD-DJLDLDEBSA-N 0 3 241.253 0.860 20 0 BCADHN O=C(c1ccon1)N1CC[C@@H](N2CCCC2)C1 ZINC000171439690 134258432 /nfs/dbraw/zinc/25/84/32/134258432.db2.gz DVXDMACZVKBSPS-SNVBAGLBSA-N 0 3 235.287 0.985 20 0 BCADHN CC1(F)CCN(CCN2C(=O)CCC2=O)CC1 ZINC000640070877 358158357 /nfs/dbraw/zinc/15/83/57/358158357.db2.gz QRTPVGODSCBJLQ-UHFFFAOYSA-N 0 3 242.294 0.959 20 0 BCADHN C[C@@H]1C[C@H]1CN(C)CC(=O)N1CCN(C)CC1 ZINC000640065694 358154023 /nfs/dbraw/zinc/15/40/23/358154023.db2.gz ZSRIVVNBRVZYDB-NEPJUHHUSA-N 0 3 239.363 0.348 20 0 BCADHN CCN1CC[C@H](N2CCC[C@@](O)(CC)C2)C1=O ZINC000640036845 358136758 /nfs/dbraw/zinc/13/67/58/358136758.db2.gz YIMUBOLZVHVNKK-AAEUAGOBSA-N 0 3 240.347 0.844 20 0 BCADHN CNCC(=O)NC[C@H](C)c1ncc(C)s1 ZINC000584718956 358161233 /nfs/dbraw/zinc/16/12/33/358161233.db2.gz FCMMNIGZTMNWRV-ZETCQYMHSA-N 0 3 227.333 0.891 20 0 BCADHN COC[C@H](N)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000584779115 358176401 /nfs/dbraw/zinc/17/64/01/358176401.db2.gz SDBAEOHKLIGJHP-LBPRGKRZSA-N 0 3 249.314 0.245 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCCOC2)C1 ZINC000171611034 134259626 /nfs/dbraw/zinc/25/96/26/134259626.db2.gz HSLAHEYCZXIRBA-MNOVXSKESA-N 0 3 241.335 0.511 20 0 BCADHN CC(C)C[C@H](C)N1CCN(C(=O)CO)CC1 ZINC000450628821 202218343 /nfs/dbraw/zinc/21/83/43/202218343.db2.gz WZXBTTJTMOTHED-NSHDSACASA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@@H]1CN(C[C@@](C)(O)C(C)=O)C[C@H]1O ZINC000450636549 202219097 /nfs/dbraw/zinc/21/90/97/202219097.db2.gz NILZDANDNOLKME-GMTAPVOTSA-N 0 3 215.293 0.029 20 0 BCADHN NC(=O)CN1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000640094882 358187786 /nfs/dbraw/zinc/18/77/86/358187786.db2.gz JMZGRZFOFHDSSJ-BBBLOLIVSA-N 0 3 212.293 0.097 20 0 BCADHN CC(C)N1CC[C@H](NCC2(O)CCC2)C1=O ZINC000584834644 358197142 /nfs/dbraw/zinc/19/71/42/358197142.db2.gz FWSBVSKFWRWCKU-JTQLQIEISA-N 0 3 226.320 0.500 20 0 BCADHN CC(C)(C)OCCN1CC(C)(C(N)=O)C1 ZINC000584838376 358198148 /nfs/dbraw/zinc/19/81/48/358198148.db2.gz RMBJPJJQJKBZLV-UHFFFAOYSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@H](c1cnccn1)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000584843903 358200252 /nfs/dbraw/zinc/20/02/52/358200252.db2.gz RLBNOLMRZXMECW-WXHSDQCUSA-N 0 3 248.330 0.600 20 0 BCADHN COC(=O)CCCN1CCC[C@H](OCCO)C1 ZINC000172096544 134261811 /nfs/dbraw/zinc/26/18/11/134261811.db2.gz FZSVAYVJOMZRNT-NSHDSACASA-N 0 3 245.319 0.413 20 0 BCADHN COCc1nc(NCCN(C)C)cc(OC)n1 ZINC000082491790 491126216 /nfs/dbraw/zinc/12/62/16/491126216.db2.gz YLAAHQLFYJXKEF-UHFFFAOYSA-N 0 3 240.307 0.605 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H]1CC1(F)F ZINC000450689476 202235153 /nfs/dbraw/zinc/23/51/53/202235153.db2.gz XZEXAKRJUWMAKC-QMMMGPOBSA-N 0 3 236.262 0.072 20 0 BCADHN NCC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000040419399 358235854 /nfs/dbraw/zinc/23/58/54/358235854.db2.gz HQVCTJABGWHDAU-UHFFFAOYSA-N 0 3 244.241 0.905 20 0 BCADHN CC[C@H](N)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000040854248 358247610 /nfs/dbraw/zinc/24/76/10/358247610.db2.gz UWHPNMYLNIFLOH-JTQLQIEISA-N 0 3 235.287 0.722 20 0 BCADHN C[C@H](CNCc1cc(C(N)=O)cs1)N(C)C ZINC000086573652 491126851 /nfs/dbraw/zinc/12/68/51/491126851.db2.gz CZAPCJQUZLJFLT-MRVPVSSYSA-N 0 3 241.360 0.887 20 0 BCADHN CN(C)CCN(C(=O)C1CC(C)(O)C1)C1CC1 ZINC000450718580 202243797 /nfs/dbraw/zinc/24/37/97/202243797.db2.gz TXXFSWOEGJBTSI-UHFFFAOYSA-N 0 3 240.347 0.700 20 0 BCADHN CCOC(=O)C[C@H](C)N(C)C[C@@H]1COCCO1 ZINC000450717985 202244239 /nfs/dbraw/zinc/24/42/39/202244239.db2.gz ROAVYRVUQQHKGW-WDEREUQCSA-N 0 3 245.319 0.675 20 0 BCADHN Cc1cnn(C)c1CN(C)CC1CN(C)C1 ZINC000668538499 491127242 /nfs/dbraw/zinc/12/72/42/491127242.db2.gz AUXGMDFBBQFBAS-UHFFFAOYSA-N 0 3 222.336 0.722 20 0 BCADHN COC[C@@H](C)CNC(=O)CNC1CC1 ZINC000041679473 358333656 /nfs/dbraw/zinc/33/36/56/358333656.db2.gz DDKRNHGZNRWKFV-QMMMGPOBSA-N 0 3 200.282 0.137 20 0 BCADHN CC(C)CCS(=O)(=O)N(C)C1CNC1 ZINC000085257846 134271617 /nfs/dbraw/zinc/27/16/17/134271617.db2.gz WAQIYYBRTIWLOO-UHFFFAOYSA-N 0 3 220.338 0.266 20 0 BCADHN OCCOCCCNCc1ccc(CO)o1 ZINC000227331324 358354073 /nfs/dbraw/zinc/35/40/73/358354073.db2.gz RQCCCUVZXUABDI-UHFFFAOYSA-N 0 3 229.276 0.261 20 0 BCADHN CC1(CN[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000226373006 358337005 /nfs/dbraw/zinc/33/70/05/358337005.db2.gz GGIXHWGFSZFOGI-MRVPVSSYSA-N 0 3 203.307 0.563 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CCSC1 ZINC000226357893 358337459 /nfs/dbraw/zinc/33/74/59/358337459.db2.gz XMJXYEJWGSQMNJ-HLTSFMKQSA-N 0 3 216.350 0.982 20 0 BCADHN O=S(=O)(C1CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000173102953 134273696 /nfs/dbraw/zinc/27/36/96/134273696.db2.gz PWXUFFSBKJAYBF-SNVBAGLBSA-N 0 3 244.360 0.649 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc(N(C)C)nc1 ZINC000227355028 358354189 /nfs/dbraw/zinc/35/41/89/358354189.db2.gz YFPSXYFXGNTCCF-SECBINFHSA-N 0 3 238.291 0.060 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000227326556 358354325 /nfs/dbraw/zinc/35/43/25/358354325.db2.gz PUYKXQWPMKZWTN-AXTRIDKLSA-N 0 3 234.299 0.369 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000227332936 358354334 /nfs/dbraw/zinc/35/43/34/358354334.db2.gz PUYKXQWPMKZWTN-KPXOXKRLSA-N 0 3 234.299 0.369 20 0 BCADHN C[C@H](C[S@](C)=O)NC(=O)[C@@]1(C)CCCCN1 ZINC000229001415 358344474 /nfs/dbraw/zinc/34/44/74/358344474.db2.gz QMECXPLXYNHTAT-RDGWCUKFSA-N 0 3 246.376 0.402 20 0 BCADHN COCCCCCNC(=O)CNC1CC1 ZINC000229085194 358344971 /nfs/dbraw/zinc/34/49/71/358344971.db2.gz FHDROUQRZOFAAP-UHFFFAOYSA-N 0 3 214.309 0.671 20 0 BCADHN CO[C@H](CN)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000227364638 358355248 /nfs/dbraw/zinc/35/52/48/358355248.db2.gz UZTMNJBNCVEVEU-RKDXNWHRSA-N 0 3 216.325 0.853 20 0 BCADHN COCCN1CCC(C(=O)NC2CC2)CC1 ZINC000055912930 363605635 /nfs/dbraw/zinc/60/56/35/363605635.db2.gz KGHCNUBKMANJAN-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H](O)CC(C)(C)C ZINC000226113470 358334518 /nfs/dbraw/zinc/33/45/18/358334518.db2.gz PAZXEMCOXNSSJC-DTWKUNHWSA-N 0 3 216.325 0.508 20 0 BCADHN C[C@@H](C(=O)N1C[C@@H](C)NC[C@@H]1C)n1cncn1 ZINC000226115955 358334677 /nfs/dbraw/zinc/33/46/77/358334677.db2.gz GQWPMHHYDVJTKQ-UTLUCORTSA-N 0 3 237.307 0.048 20 0 BCADHN CC(=O)NCCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000173644199 134276201 /nfs/dbraw/zinc/27/62/01/134276201.db2.gz OJNHENRQSJCHLC-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN Oc1ccc(CNC[C@@H](O)Cn2cccn2)cc1 ZINC000228410940 358375316 /nfs/dbraw/zinc/37/53/16/358375316.db2.gz UAQSVLDCHSUNKQ-CYBMUJFWSA-N 0 3 247.298 0.739 20 0 BCADHN CCN(CCNC(=O)c1cnc(N)cn1)C1CC1 ZINC000228576739 358380004 /nfs/dbraw/zinc/38/00/04/358380004.db2.gz AGSFKBBBRQBNBA-UHFFFAOYSA-N 0 3 249.318 0.273 20 0 BCADHN COc1cc(NC(=O)[C@H](CN)OC)ccc1F ZINC000227410710 358355949 /nfs/dbraw/zinc/35/59/49/358355949.db2.gz JGVDFQAQLMPEQA-JTQLQIEISA-N 0 3 242.250 0.747 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccc(C)nc1 ZINC000227394666 358356105 /nfs/dbraw/zinc/35/61/05/358356105.db2.gz IUPGZOGVMROVJA-SECBINFHSA-N 0 3 209.249 0.302 20 0 BCADHN CO[C@@H](CN)C(=O)NCCCC1CC1 ZINC000227408637 358356223 /nfs/dbraw/zinc/35/62/23/358356223.db2.gz NMOCLUCXGSLWPE-VIFPVBQESA-N 0 3 200.282 0.267 20 0 BCADHN CO[C@H](CN)C(=O)NC1Cc2ccccc2C1 ZINC000227415709 358356737 /nfs/dbraw/zinc/35/67/37/358356737.db2.gz CHXLWKUEDDSJHB-GFCCVEGCSA-N 0 3 234.299 0.244 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cc(Cl)ccn1 ZINC000227416559 358356870 /nfs/dbraw/zinc/35/68/70/358356870.db2.gz FWCVVAAKTRGFSO-SSDOTTSWSA-N 0 3 229.667 0.647 20 0 BCADHN CCN(C)CCNC(=O)NCCCSC ZINC000077574482 325383374 /nfs/dbraw/zinc/38/33/74/325383374.db2.gz MIZOUXLFTMNDSX-UHFFFAOYSA-N 0 3 233.381 0.990 20 0 BCADHN O=C(CNC1CC1)NC[C@@H]1CCCCO1 ZINC000042823893 358360046 /nfs/dbraw/zinc/36/00/46/358360046.db2.gz AFLIJTSTYRLVRQ-JTQLQIEISA-N 0 3 212.293 0.424 20 0 BCADHN C[C@@H](O)CCCNC[C@H](O)C(F)(F)F ZINC000227710984 358362063 /nfs/dbraw/zinc/36/20/63/358362063.db2.gz WYJJXBZRTGGUML-RQJHMYQMSA-N 0 3 215.215 0.660 20 0 BCADHN O=C(C[C@@H]1C=CCC1)NC[C@@H]1CNCCO1 ZINC000227784886 358363566 /nfs/dbraw/zinc/36/35/66/358363566.db2.gz QEZGRPMJFJMFSV-MNOVXSKESA-N 0 3 224.304 0.447 20 0 BCADHN CC(C)(CCO)CNC[C@H](O)C(F)(F)F ZINC000227949044 358366584 /nfs/dbraw/zinc/36/65/84/358366584.db2.gz NUXRRNOVEFHWJM-ZETCQYMHSA-N 0 3 229.242 0.908 20 0 BCADHN C[C@H](NC(=O)C1(N)CCC1)c1cn[nH]c1 ZINC000229704090 358406846 /nfs/dbraw/zinc/40/68/46/358406846.db2.gz MCLQYWVGXGITQQ-ZETCQYMHSA-N 0 3 208.265 0.468 20 0 BCADHN CC[C@H](N)C(=O)NCC(F)(F)C(F)F ZINC000230695699 358409902 /nfs/dbraw/zinc/40/99/02/358409902.db2.gz MTLSWIJGNJRFNT-BYPYZUCNSA-N 0 3 216.178 0.740 20 0 BCADHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)C(=O)NC1CC1 ZINC000228959657 358387045 /nfs/dbraw/zinc/38/70/45/358387045.db2.gz ROMCKJSOXGCSTF-FXBDTBDDSA-N 0 3 226.320 0.403 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)C(F)(F)F)C[C@@H](C)N1C ZINC000219278866 134277027 /nfs/dbraw/zinc/27/70/27/134277027.db2.gz TULANFGJOQGELR-IWSPIJDZSA-N 0 3 240.269 0.934 20 0 BCADHN Cc1cc(CNC(=O)CNC(C)C)no1 ZINC000044727170 358393201 /nfs/dbraw/zinc/39/32/01/358393201.db2.gz PNUKRERJSYYXBG-UHFFFAOYSA-N 0 3 211.265 0.597 20 0 BCADHN Cn1cc(CNCC[C@@H]2CCOC2)nn1 ZINC000230164088 358394699 /nfs/dbraw/zinc/39/46/99/358394699.db2.gz CQANYOIHRUIYMP-SECBINFHSA-N 0 3 210.281 0.331 20 0 BCADHN OCCCSCCNC[C@H](O)C(F)(F)F ZINC000230788777 358410983 /nfs/dbraw/zinc/41/09/83/358410983.db2.gz IMEWDWYVKWYBBM-ZETCQYMHSA-N 0 3 247.282 0.615 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000230244688 358397126 /nfs/dbraw/zinc/39/71/26/358397126.db2.gz ZIAJZNGBOFSPMB-AEJSXWLSSA-N 0 3 214.309 0.607 20 0 BCADHN CO[C@@H]1CN(C(=O)CNC2CC2)CC[C@@H]1C ZINC000230245685 358397282 /nfs/dbraw/zinc/39/72/82/358397282.db2.gz PDZPTRWQEQRNHK-GXSJLCMTSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1cc(CNC(=O)CNC2CC2)on1 ZINC000045007162 358398736 /nfs/dbraw/zinc/39/87/36/358398736.db2.gz BVYIKCLMXRZNRH-UHFFFAOYSA-N 0 3 209.249 0.351 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCCCn1ccnc1 ZINC000045109165 358401578 /nfs/dbraw/zinc/40/15/78/358401578.db2.gz ZZPJVGCFLDVWCL-LLVKDONJSA-N 0 3 238.335 0.763 20 0 BCADHN CC[C@@H](N[C@H]1CCc2nc(C)cn2C1)C(N)=O ZINC000112540200 358446824 /nfs/dbraw/zinc/44/68/24/358446824.db2.gz QCBCGRZEHCJTEJ-VHSXEESVSA-N 0 3 236.319 0.360 20 0 BCADHN CCN1CCN(CCCCNC(=O)NC)CC1 ZINC000042309686 358520500 /nfs/dbraw/zinc/52/05/00/358520500.db2.gz KARKBQGSTNGFEH-UHFFFAOYSA-N 0 3 242.367 0.333 20 0 BCADHN CC(C)[C@@H](CCO)NC(=O)C1(N)CCC1 ZINC000231081337 358414353 /nfs/dbraw/zinc/41/43/53/358414353.db2.gz HNLKBWLADUIPNX-SECBINFHSA-N 0 3 214.309 0.391 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1cocn1 ZINC000104867226 358441120 /nfs/dbraw/zinc/44/11/20/358441120.db2.gz FTCGWUFLWIQACH-MRVPVSSYSA-N 0 3 209.249 0.499 20 0 BCADHN COC1CC(C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000627796520 358576856 /nfs/dbraw/zinc/57/68/56/358576856.db2.gz WYZSOGQDITUAMF-CXQJBGSLSA-N 0 3 240.347 0.964 20 0 BCADHN COC1CC(C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000627796521 358576891 /nfs/dbraw/zinc/57/68/91/358576891.db2.gz WYZSOGQDITUAMF-MOENNCHZSA-N 0 3 240.347 0.964 20 0 BCADHN COC(=O)CCCN1CCC(CC(N)=O)CC1 ZINC000042429833 358523151 /nfs/dbraw/zinc/52/31/51/358523151.db2.gz HPFIBVIMJBOHDW-UHFFFAOYSA-N 0 3 242.319 0.527 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCn1cccn1 ZINC000042542371 358526819 /nfs/dbraw/zinc/52/68/19/358526819.db2.gz QWKAIDXQSGFAFM-NXEZZACHSA-N 0 3 224.308 0.373 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@@H]1CCCCO1 ZINC000042823716 358530402 /nfs/dbraw/zinc/53/04/02/358530402.db2.gz IIHIHNDTCWNYJA-UWVGGRQHSA-N 0 3 246.376 0.752 20 0 BCADHN CCN1CCCN(CC(=O)NC(C)C)CC1 ZINC000125113045 358534463 /nfs/dbraw/zinc/53/44/63/358534463.db2.gz PHBVSWSJHOUTPU-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN Cc1cc(N(C)C[C@H](O)CN(C)C2CC2)n[nH]1 ZINC000640193092 358610738 /nfs/dbraw/zinc/61/07/38/358610738.db2.gz FFDIRQRRULYQIZ-LLVKDONJSA-N 0 3 238.335 0.609 20 0 BCADHN COCCNCCNC(=O)CC[C@@H]1CCCO1 ZINC000212743199 358621315 /nfs/dbraw/zinc/62/13/15/358621315.db2.gz LDYPJOFQOKBSHQ-NSHDSACASA-N 0 3 244.335 0.298 20 0 BCADHN C[C@@H](CNCCCn1ccnc1)S(C)(=O)=O ZINC000567103646 358585408 /nfs/dbraw/zinc/58/54/08/358585408.db2.gz LBJXOPWLOOGZLF-JTQLQIEISA-N 0 3 245.348 0.296 20 0 BCADHN CCN1CCC[C@H]1CNCc1cnnn1C ZINC000129690455 358592602 /nfs/dbraw/zinc/59/26/02/358592602.db2.gz MEFSTYWCNLOZAI-JTQLQIEISA-N 0 3 223.324 0.389 20 0 BCADHN C[C@H]1CO[C@H](CO)CN1CCN1CCCCC1 ZINC000129714561 358593918 /nfs/dbraw/zinc/59/39/18/358593918.db2.gz LDMKIUXOGKCGTQ-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN Cc1csc(=O)n1CCN(C)C[C@@H](C)O ZINC000131098826 358660119 /nfs/dbraw/zinc/66/01/19/358660119.db2.gz STRVLGQCGXNJRM-SECBINFHSA-N 0 3 230.333 0.531 20 0 BCADHN CN(CCN1CCCC1)C(=O)NCC(F)F ZINC000640199708 358663141 /nfs/dbraw/zinc/66/31/41/358663141.db2.gz YSANRFWPBONBEJ-UHFFFAOYSA-N 0 3 235.278 0.989 20 0 BCADHN CNC(=O)NC(=O)CN(C)C1CCC(C)CC1 ZINC000049000413 358665845 /nfs/dbraw/zinc/66/58/45/358665845.db2.gz ZCSQCULKGBWKKF-UHFFFAOYSA-N 0 3 241.335 0.953 20 0 BCADHN CC(C)COC[C@H](O)CN(C)C[C@@H](C)O ZINC000131284585 358667248 /nfs/dbraw/zinc/66/72/48/358667248.db2.gz UFYMXAMOQZIVEE-GHMZBOCLSA-N 0 3 219.325 0.333 20 0 BCADHN CNC(=O)c1cccc(CN(C)C[C@H](C)O)c1 ZINC000131320889 358671571 /nfs/dbraw/zinc/67/15/71/358671571.db2.gz UYMQSXJDMZZHKZ-JTQLQIEISA-N 0 3 236.315 0.859 20 0 BCADHN COCCOCCN1CCC(CC(N)=O)CC1 ZINC000175584270 134287740 /nfs/dbraw/zinc/28/77/40/134287740.db2.gz HBGRQSHQERTXDQ-UHFFFAOYSA-N 0 3 244.335 0.237 20 0 BCADHN CCc1nn(C)cc1CN1CCC[C@H]1CO ZINC000132495060 491136312 /nfs/dbraw/zinc/13/63/12/491136312.db2.gz VVIDUQVVWASNMR-NSHDSACASA-N 0 3 223.320 0.939 20 0 BCADHN CN(C)CCNC(=O)Nc1ccn(C)c(=O)c1 ZINC000640209412 358756622 /nfs/dbraw/zinc/75/66/22/358756622.db2.gz GWXWHMHAHXWEHJ-UHFFFAOYSA-N 0 3 238.291 0.068 20 0 BCADHN OCCOC1CCN(C[C@H]2CCCO2)CC1 ZINC000133686089 358763507 /nfs/dbraw/zinc/76/35/07/358763507.db2.gz VFAMOEVWVNIKLJ-GFCCVEGCSA-N 0 3 229.320 0.639 20 0 BCADHN C[C@H](NC(=O)c1c[n-]nn1)C(C)(C)C[NH+](C)C ZINC000175828335 134289136 /nfs/dbraw/zinc/28/91/36/134289136.db2.gz YXGMITLARBFMGG-QMMMGPOBSA-N 0 3 239.323 0.511 20 0 BCADHN C[C@H](NC(=O)c1cnn[n-]1)C(C)(C)C[NH+](C)C ZINC000175828335 134289137 /nfs/dbraw/zinc/28/91/37/134289137.db2.gz YXGMITLARBFMGG-QMMMGPOBSA-N 0 3 239.323 0.511 20 0 BCADHN C[C@H](NC(=O)c1cn[n-]n1)C(C)(C)C[NH+](C)C ZINC000175828335 134289138 /nfs/dbraw/zinc/28/91/38/134289138.db2.gz YXGMITLARBFMGG-QMMMGPOBSA-N 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CCO[C@@H]1C[C@H](N[C@H](C)C(=O)NC)C1(C)C ZINC000134270100 358784568 /nfs/dbraw/zinc/78/45/68/358784568.db2.gz UTXCWEVWKPTIAI-KXUCPTDWSA-N 0 3 228.336 0.914 20 0 BCADHN Cc1ccncc1CNC[C@H]1COCCO1 ZINC000135454755 358838317 /nfs/dbraw/zinc/83/83/17/358838317.db2.gz TXGNQYBHFBHAJL-LBPRGKRZSA-N 0 3 222.288 0.895 20 0 BCADHN Cc1ccncc1CNC[C@H]1CN(C)CCN1C ZINC000135461258 358839869 /nfs/dbraw/zinc/83/98/69/358839869.db2.gz NFZCTSVXCPPBIB-AWEZNQCLSA-N 0 3 248.374 0.725 20 0 BCADHN OCCOCCN1CCS[C@@H]2COCC[C@@H]21 ZINC000135558292 358844359 /nfs/dbraw/zinc/84/43/59/358844359.db2.gz XUNMXQXXOYVICO-WDEREUQCSA-N 0 3 247.360 0.202 20 0 BCADHN COCCCN1CCOC2(CCOCC2)C1 ZINC000135647871 358847867 /nfs/dbraw/zinc/84/78/67/358847867.db2.gz HAESQRJPWYOFFH-UHFFFAOYSA-N 0 3 229.320 0.904 20 0 BCADHN CC1CCN(CCNCc2cnnn2C)CC1 ZINC000135854300 358851841 /nfs/dbraw/zinc/85/18/41/358851841.db2.gz YYZDRGXRWHMOKP-UHFFFAOYSA-N 0 3 237.351 0.637 20 0 BCADHN C[C@@H](CO)CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000308765784 491137996 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CWZPOQTUCMOORA-ZETCQYMHSA-N 0 3 203.311 0.092 20 0 BCADHN Cc1ccc([O-])c(C[NH2+][C@H]2C[C@@H](CO)C2)n1 ZINC000631199183 360764788 /nfs/dbraw/zinc/76/47/88/360764788.db2.gz OGTIPQBWSUZYDV-AOOOYVTPSA-N 0 3 222.288 0.956 20 0 BCADHN CC[C@@H]1CN(C(=O)C2(N)CC2)C[C@@H](C)O1 ZINC000153202300 360765135 /nfs/dbraw/zinc/76/51/35/360765135.db2.gz DAUDPDXIXVBQAU-RKDXNWHRSA-N 0 3 212.293 0.504 20 0 BCADHN CC[C@@H]1CN(C(=O)C2(N)CC2)C[C@H](C)O1 ZINC000153202083 360765204 /nfs/dbraw/zinc/76/52/04/360765204.db2.gz DAUDPDXIXVBQAU-DTWKUNHWSA-N 0 3 212.293 0.504 20 0 BCADHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cn[nH]c1 ZINC000309548668 491151113 /nfs/dbraw/zinc/15/11/13/491151113.db2.gz HMJWTNMJVINHTE-UWVGGRQHSA-N 0 3 222.292 0.414 20 0 BCADHN O=C(COCC1CC1)N[C@H]1CCN(C2CC2)C1 ZINC000063114576 360739026 /nfs/dbraw/zinc/73/90/26/360739026.db2.gz VNBJRICYBZKECN-NSHDSACASA-N 0 3 238.331 0.766 20 0 BCADHN CCC[C@](C)(NC(=O)[C@@H](C)N)C(=O)OC ZINC000154207969 360789243 /nfs/dbraw/zinc/78/92/43/360789243.db2.gz AISQAWOIEIXHAK-XCBNKYQSSA-N 0 3 216.281 0.182 20 0 BCADHN CCCN(C)CC(=O)N1CCO[C@H](CCF)C1 ZINC000629021133 360798685 /nfs/dbraw/zinc/79/86/85/360798685.db2.gz XITQJNZYUREYAU-LLVKDONJSA-N 0 3 246.326 0.915 20 0 BCADHN CCOCCCCNC(=O)[C@H](N)CCSC ZINC000153682403 360776281 /nfs/dbraw/zinc/77/62/81/360776281.db2.gz VLVKRZWVKNNQDJ-SNVBAGLBSA-N 0 3 248.392 1.000 20 0 BCADHN NC(=O)c1csc(CNC[C@@H](O)C2CC2)c1 ZINC000086573733 181310964 /nfs/dbraw/zinc/31/09/64/181310964.db2.gz FKQVLMDRVAEPPT-SNVBAGLBSA-N 0 3 240.328 0.708 20 0 BCADHN C/C=C/CNC(=O)C(C)S(C)(=O)=O ZINC000629040496 360832728 /nfs/dbraw/zinc/83/27/28/360832728.db2.gz WEMCZIJCFKTWOH-SMMXGFFBSA-N 0 3 205.279 0.112 20 0 BCADHN C/C=C/CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000629041586 360834785 /nfs/dbraw/zinc/83/47/85/360834785.db2.gz XUHUSGFNDFIJRE-KXMPLOMGSA-N 0 3 223.320 0.069 20 0 BCADHN CCCN(C)CC(=O)NCCC(=O)OC(C)C ZINC000063756029 360870009 /nfs/dbraw/zinc/87/00/09/360870009.db2.gz ALVMHULNQPUMGC-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN 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361043792 /nfs/dbraw/zinc/04/37/92/361043792.db2.gz REJXCJOPCPTXGV-LBPRGKRZSA-N 0 3 221.304 0.468 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCc2ccc[nH]c2=O)C1 ZINC000629421599 361066176 /nfs/dbraw/zinc/06/61/76/361066176.db2.gz BMLCBLWKHRINGE-SNVBAGLBSA-N 0 3 249.314 0.745 20 0 BCADHN CN(C)c1ccccc1CNC(=O)[C@@H]1C[C@@H]1N ZINC000424163101 200872207 /nfs/dbraw/zinc/87/22/07/200872207.db2.gz XKOKJHSNMGDIAC-MNOVXSKESA-N 0 3 233.315 0.716 20 0 BCADHN COc1cnccc1[C@@H](C)NC(=O)[C@@H]1C[C@@H]1N ZINC000424169007 200873724 /nfs/dbraw/zinc/87/37/24/200873724.db2.gz GLSDYJZAJKJHCC-QNSHHTMESA-N 0 3 235.287 0.615 20 0 BCADHN C[C@H]1N(C(=O)[C@@H]2C[C@@H]2N)CCC12CCOCC2 ZINC000424170294 200874143 /nfs/dbraw/zinc/87/41/43/200874143.db2.gz KVDIGDWKJBLIRR-MXWKQRLJSA-N 0 3 238.331 0.751 20 0 BCADHN NC1(C(=O)N2CCn3c4ccccc4nc32)CC1 ZINC000150697187 181324056 /nfs/dbraw/zinc/32/40/56/181324056.db2.gz UKQPTNUPSKXKKU-UHFFFAOYSA-N 0 3 242.282 0.874 20 0 BCADHN NC1(C(=O)N2CCSCC2)CCOCC1 ZINC000149643161 181324001 /nfs/dbraw/zinc/32/40/01/181324001.db2.gz HRXNKNUXCWTWOZ-UHFFFAOYSA-N 0 3 230.333 0.070 20 0 BCADHN NC1(C(=O)N2CCC[C@H](Cn3ccnn3)C2)CC1 ZINC000353742192 181324412 /nfs/dbraw/zinc/32/44/12/181324412.db2.gz GNZXKPWWHJJSEK-JTQLQIEISA-N 0 3 249.318 0.008 20 0 BCADHN CO[C@](C)(CO)CNCc1ccc(=O)[nH]c1 ZINC000631168663 361162742 /nfs/dbraw/zinc/16/27/42/361162742.db2.gz JHNBYXPNWDLRIG-NSHDSACASA-N 0 3 226.276 0.274 20 0 BCADHN Cc1c[nH]nc1CNCC[C@H](O)C(F)F ZINC000631216121 361160357 /nfs/dbraw/zinc/16/03/57/361160357.db2.gz KFKXVXZHNWLEKH-QMMMGPOBSA-N 0 3 219.235 0.824 20 0 BCADHN COCCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000066078109 361126689 /nfs/dbraw/zinc/12/66/89/361126689.db2.gz IUCHODOPIQTHKM-SECBINFHSA-N 0 3 212.293 0.376 20 0 BCADHN NC1(C(=O)NC2CC2)Cc2ccccc2C1 ZINC000368452471 181325503 /nfs/dbraw/zinc/32/55/03/181325503.db2.gz BKVBNGHMXXZFIW-UHFFFAOYSA-N 0 3 216.284 0.761 20 0 BCADHN C[C@H](CC(=O)NC[C@H](C)N(C)C)n1cccn1 ZINC000424583061 200940889 /nfs/dbraw/zinc/94/08/89/200940889.db2.gz 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NC1(C(=O)NCCc2cn3ccccc3n2)CC1 ZINC000237919170 181326203 /nfs/dbraw/zinc/32/62/03/181326203.db2.gz VZKNAMOCOUPASF-UHFFFAOYSA-N 0 3 244.298 0.484 20 0 BCADHN CCC[C@H](N)C(=O)NCCOC(C)C ZINC000159152578 361224055 /nfs/dbraw/zinc/22/40/55/361224055.db2.gz SDYXCTDBGTVMIT-VIFPVBQESA-N 0 3 202.298 0.655 20 0 BCADHN CNC(=O)CCN1CCC[C@H](c2ccncn2)C1 ZINC000613209909 361240485 /nfs/dbraw/zinc/24/04/85/361240485.db2.gz LVGLUBNHRPDRGZ-NSHDSACASA-N 0 3 248.330 0.792 20 0 BCADHN Cc1noc(CCCN2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640483944 361274181 /nfs/dbraw/zinc/27/41/81/361274181.db2.gz YHEKQONBQMCREM-MWLCHTKSSA-N 0 3 223.276 0.377 20 0 BCADHN NC1(C(=O)NC[C@H](O)c2ccc(F)cc2)CC1 ZINC000237800675 181327113 /nfs/dbraw/zinc/32/71/13/181327113.db2.gz MMAQREYKUALXGR-JTQLQIEISA-N 0 3 238.262 0.467 20 0 BCADHN CC(C)(C)N1CC[C@H](N2C[C@@H]3C[C@]3(O)C2)C1=O ZINC000640484483 361276046 /nfs/dbraw/zinc/27/60/46/361276046.db2.gz DQRWPXNZVCHDFH-KWBADKCTSA-N 0 3 238.331 0.452 20 0 BCADHN NC1(C(=O)NC[C@H]2CCCO2)CCCCC1 ZINC000019506552 181327143 /nfs/dbraw/zinc/32/71/43/181327143.db2.gz PZRONZWRKGHLAU-SNVBAGLBSA-N 0 3 226.320 0.943 20 0 BCADHN Cc1cnccc1CCN1C[C@H]2C[C@@]2(O)C1 ZINC000640488358 361280852 /nfs/dbraw/zinc/28/08/52/361280852.db2.gz UQKRWYMCXMTXHE-CHWSQXEVSA-N 0 3 218.300 0.999 20 0 BCADHN NC1(C(=O)NCc2ccc3c(c2)OCO3)CCC1 ZINC000148133709 181327264 /nfs/dbraw/zinc/32/72/64/181327264.db2.gz FVFHSWAVCYSEOV-UHFFFAOYSA-N 0 3 248.282 0.913 20 0 BCADHN C[C@H]1CN(C[C@H]2CCSC2)CCN1CCO ZINC000426164140 200972728 /nfs/dbraw/zinc/97/27/28/200972728.db2.gz XOSLAVQFEIXTTL-NWDGAFQWSA-N 0 3 244.404 0.738 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](C)COCC(F)(F)F ZINC000575002191 361288929 /nfs/dbraw/zinc/28/89/29/361288929.db2.gz ZGTZFNCSIPEYFI-RQJHMYQMSA-N 0 3 242.241 0.678 20 0 BCADHN CCOCC[C@@H](O)CN1CCN(C)C[C@H]1CC ZINC000578998972 366691388 /nfs/dbraw/zinc/69/13/88/366691388.db2.gz YYONLWXWBCFSNK-CHWSQXEVSA-N 0 3 244.379 0.800 20 0 BCADHN CCOCC[C@@H](O)CN1CCN(C)C[C@@H]1CC ZINC000578998974 366691631 /nfs/dbraw/zinc/69/16/31/366691631.db2.gz YYONLWXWBCFSNK-QWHCGFSZSA-N 0 3 244.379 0.800 20 0 BCADHN CNC(=O)CN(C)CCCc1cncn1C ZINC000574999689 361255527 /nfs/dbraw/zinc/25/55/27/361255527.db2.gz LWDHZBUFUMRXFW-UHFFFAOYSA-N 0 3 224.308 0.031 20 0 BCADHN Cc1cncc(CCN2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640485898 361269722 /nfs/dbraw/zinc/26/97/22/361269722.db2.gz JUALYAHAIWBTSF-ZYHUDNBSSA-N 0 3 219.288 0.394 20 0 BCADHN NC1(C(=O)NC[C@H](O)c2ccccc2)CC1 ZINC000083834173 181327987 /nfs/dbraw/zinc/32/79/87/181327987.db2.gz PNQHWNKEYDUVLQ-JTQLQIEISA-N 0 3 220.272 0.328 20 0 BCADHN CN(CCN1CCCC1=O)C[C@H](O)C(C)(C)C ZINC000579034589 366700497 /nfs/dbraw/zinc/70/04/97/366700497.db2.gz KCTUXYGOMHCQLH-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN NC1(C(=O)NC[C@H]2CCCS2)CCOCC1 ZINC000149754115 181328011 /nfs/dbraw/zinc/32/80/11/181328011.db2.gz ZBFTUMZIMKTSQT-SECBINFHSA-N 0 3 244.360 0.506 20 0 BCADHN CO[C@H](CN1CC(C)(C(N)=O)C1)C1CC1 ZINC000579106377 366709995 /nfs/dbraw/zinc/70/99/95/366709995.db2.gz 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JHTFENWDYNDACY-UHFFFAOYSA-N 0 3 227.308 0.254 20 0 BCADHN COCC1(CNCc2cnnn2C)CCC1 ZINC000381595108 367434675 /nfs/dbraw/zinc/43/46/75/367434675.db2.gz FDEZCPOJZXKDDO-UHFFFAOYSA-N 0 3 224.308 0.721 20 0 BCADHN C[C@@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000381668695 367446177 /nfs/dbraw/zinc/44/61/77/367446177.db2.gz BONGBVKPEHXZQG-RQJHMYQMSA-N 0 3 247.295 0.235 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-][C@@H](C)[C@H](C)[NH3+])s1 ZINC000381762402 367455707 /nfs/dbraw/zinc/45/57/07/367455707.db2.gz OTICOZRMUAMKAH-WDSKDSINSA-N 0 3 249.361 0.466 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-][C@H](C)[C@H](C)[NH3+])s1 ZINC000381762399 367455816 /nfs/dbraw/zinc/45/58/16/367455816.db2.gz OTICOZRMUAMKAH-NTSWFWBYSA-N 0 3 249.361 0.466 20 0 BCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)[C@@H](C)[NH3+] ZINC000381779691 367456753 /nfs/dbraw/zinc/45/67/53/367456753.db2.gz QXRDUKCOKUAHCK-PHDIDXHHSA-N 0 3 247.320 0.305 20 0 BCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)[C@H](C)[NH3+] ZINC000381779690 367456804 /nfs/dbraw/zinc/45/68/04/367456804.db2.gz QXRDUKCOKUAHCK-NTSWFWBYSA-N 0 3 247.320 0.305 20 0 BCADHN Cn1nncc1CN[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000381861515 367464013 /nfs/dbraw/zinc/46/40/13/367464013.db2.gz WGYBHVCBEWHLBQ-MXWKQRLJSA-N 0 3 222.292 0.472 20 0 BCADHN CCn1cc([C@@H](C)NC[C@](C)(O)COC)cn1 ZINC000382562159 367540074 /nfs/dbraw/zinc/54/00/74/367540074.db2.gz LSIKLOMLKIOSGZ-PWSUYJOCSA-N 0 3 241.335 0.951 20 0 BCADHN CCN(Cc1ccncc1)CC1(CO)COC1 ZINC000382658277 367552047 /nfs/dbraw/zinc/55/20/47/367552047.db2.gz ONENTOUZUVXFHJ-UHFFFAOYSA-N 0 3 236.315 0.912 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCC1CCOCC1 ZINC000382922315 367567537 /nfs/dbraw/zinc/56/75/37/367567537.db2.gz CNRAPXLNDRALMM-VIFPVBQESA-N 0 3 226.320 0.670 20 0 BCADHN CCCCNC(=O)CN(C)[C@@H](C)C(C)(C)O ZINC000382802482 367558962 /nfs/dbraw/zinc/55/89/62/367558962.db2.gz LBQSOGNTYBSWCO-JTQLQIEISA-N 0 3 230.352 0.994 20 0 BCADHN COC(=O)CCCNC(=O)[C@H](C)NC1CC1 ZINC000382921126 367567189 /nfs/dbraw/zinc/56/71/89/367567189.db2.gz CGXWXELEUDBYIJ-QMMMGPOBSA-N 0 3 228.292 0.196 20 0 BCADHN C[C@H](O)[C@H](C)NCc1ccc(C(N)=O)nc1 ZINC000581484053 367514663 /nfs/dbraw/zinc/51/46/63/367514663.db2.gz RPAFPFZXZRAWQV-YUMQZZPRSA-N 0 3 223.276 0.039 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCOCC1CC1 ZINC000382938820 367569919 /nfs/dbraw/zinc/56/99/19/367569919.db2.gz IAPDTXDEQVHVCN-SECBINFHSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCc1ccncc1 ZINC000382951510 367571816 /nfs/dbraw/zinc/57/18/16/367571816.db2.gz LVCKPQVKSBBDOZ-SNVBAGLBSA-N 0 3 233.315 0.881 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCc1ncc[nH]1 ZINC000382932472 367568886 /nfs/dbraw/zinc/56/88/86/367568886.db2.gz GFJKPSRGTNNXQK-SSDOTTSWSA-N 0 3 208.265 0.166 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCc1cscn1 ZINC000382970407 367577367 /nfs/dbraw/zinc/57/73/67/367577367.db2.gz RDZUYLPTWCPHAE-MRVPVSSYSA-N 0 3 239.344 0.942 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000383022026 367587648 /nfs/dbraw/zinc/58/76/48/367587648.db2.gz DZVNWPLNYKHKAK-ZMLRMANQSA-N 0 3 238.331 0.907 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](C)NC1CC1)C(=O)OC ZINC000382981867 367579758 /nfs/dbraw/zinc/57/97/58/367579758.db2.gz UOEUOLMEERUFBE-VXNVDRBHSA-N 0 3 228.292 0.195 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC1CC1 ZINC000382985297 367580073 /nfs/dbraw/zinc/58/00/73/367580073.db2.gz VQPTVKLDIZKNIA-BDAKNGLRSA-N 0 3 241.335 0.110 20 0 BCADHN CCn1cc(NC(=O)[C@H](C)NC2CC2)ccc1=O ZINC000382994415 367582962 /nfs/dbraw/zinc/58/29/62/367582962.db2.gz ZNCQYZJAYKNMII-VIFPVBQESA-N 0 3 249.314 0.947 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C(=O)[C@@H](C)NC1CC1 ZINC000382960728 367574049 /nfs/dbraw/zinc/57/40/49/367574049.db2.gz OJNGIBLRFVPWQH-DTWKUNHWSA-N 0 3 242.319 0.394 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@@H](C)NC2CC2)C1 ZINC000382957960 367574203 /nfs/dbraw/zinc/57/42/03/367574203.db2.gz NPBHWLANKDFPDF-MWLCHTKSSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCc1cnn(C)c1 ZINC000383020048 367587529 /nfs/dbraw/zinc/58/75/29/367587529.db2.gz DMTIRLLXPOTQLF-SECBINFHSA-N 0 3 236.319 0.219 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCCc1cscn1 ZINC000382970408 367576687 /nfs/dbraw/zinc/57/66/87/367576687.db2.gz RDZUYLPTWCPHAE-QMMMGPOBSA-N 0 3 239.344 0.942 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@H](C)c1cnn(C)c1 ZINC000383141497 367600520 /nfs/dbraw/zinc/60/05/20/367600520.db2.gz JZKAYKHYIOVFFA-RKDXNWHRSA-N 0 3 236.319 0.738 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)Cc1cnn(C)c1 ZINC000383162978 367603093 /nfs/dbraw/zinc/60/30/93/367603093.db2.gz ODHATSXKAZYFDP-SECBINFHSA-N 0 3 236.319 0.519 20 0 BCADHN CN[C@@H](C)C(=O)N(C[C@H](C)C(=O)OC)C1CC1 ZINC000581558324 367587944 /nfs/dbraw/zinc/58/79/44/367587944.db2.gz MWMJFNREDGQIKG-IUCAKERBSA-N 0 3 242.319 0.394 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)CC(F)F ZINC000383048421 367592119 /nfs/dbraw/zinc/59/21/19/367592119.db2.gz MMTQYCXVWWCDEJ-LURJTMIESA-N 0 3 206.236 0.850 20 0 BCADHN CS[C@H](C)CNC(=O)[C@@H](C)NC1CC1 ZINC000383063647 367592571 /nfs/dbraw/zinc/59/25/71/367592571.db2.gz PNTDUIOMYFOONK-HTQZYQBOSA-N 0 3 216.350 0.995 20 0 BCADHN COCCN(C)C(=O)[C@@H](C)NC1CC1 ZINC000383087080 367595052 /nfs/dbraw/zinc/59/50/52/367595052.db2.gz UYFVJSKBQKBPLZ-MRVPVSSYSA-N 0 3 200.282 0.232 20 0 BCADHN CC1(C)CCN1C(=O)NC[C@H]1CNCCO1 ZINC000581598024 367623436 /nfs/dbraw/zinc/62/34/36/367623436.db2.gz YWXBFUHEZNEPPB-SECBINFHSA-N 0 3 227.308 0.169 20 0 BCADHN CC[C@H]1C[C@@H](C)CN1C(=O)CN1CCNCC1 ZINC000399135281 367646755 /nfs/dbraw/zinc/64/67/55/367646755.db2.gz WCHUQAHNPFLYHW-NEPJUHHUSA-N 0 3 239.363 0.539 20 0 BCADHN COCCN(C)C[C@H](O)Cn1cnc(C)c1C ZINC000383654721 367647562 /nfs/dbraw/zinc/64/75/62/367647562.db2.gz FGPJAYZVXOZOFF-LBPRGKRZSA-N 0 3 241.335 0.439 20 0 BCADHN C[C@H](c1ccccn1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000581645530 367648507 /nfs/dbraw/zinc/64/85/07/367648507.db2.gz BWTSWIBWQOAGRM-WXHSDQCUSA-N 0 3 235.331 0.749 20 0 BCADHN Cc1nc[nH]c1CNC(=O)CN1CC[C@H](C)C1 ZINC000581675870 367704017 /nfs/dbraw/zinc/70/40/17/367704017.db2.gz GXHRLGHNYOXASY-VIFPVBQESA-N 0 3 236.319 0.676 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@@H](O)[C@H](C)C1 ZINC000581664531 367663772 /nfs/dbraw/zinc/66/37/72/367663772.db2.gz RQERRODRFMGLGG-GHMZBOCLSA-N 0 3 243.351 0.397 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@@H](O)[C@@H](C)C1 ZINC000581664534 367664189 /nfs/dbraw/zinc/66/41/89/367664189.db2.gz RQERRODRFMGLGG-WDEREUQCSA-N 0 3 243.351 0.397 20 0 BCADHN Cc1ncc(NC(=O)CNC2CC2)cn1 ZINC000384228950 367677967 /nfs/dbraw/zinc/67/79/67/367677967.db2.gz WHNNCWZAVFGVRQ-UHFFFAOYSA-N 0 3 206.249 0.476 20 0 BCADHN COC[C@H](O)CNCc1cc(OC)ns1 ZINC000399161908 367707362 /nfs/dbraw/zinc/70/73/62/367707362.db2.gz JAUKCHVCTSDHDZ-SSDOTTSWSA-N 0 3 232.305 0.249 20 0 BCADHN CC(C)N1C[C@H](N[C@H](C)[C@H](C)O)CC1=O ZINC000566109260 325996579 /nfs/dbraw/zinc/99/65/79/325996579.db2.gz LUVYMFQCMFCOCR-KXUCPTDWSA-N 0 3 214.309 0.355 20 0 BCADHN CC/C=C/CN[C@H](C)CS(C)(=O)=O ZINC000384852967 367744779 /nfs/dbraw/zinc/74/47/79/367744779.db2.gz BYNKLGCNEVOLPJ-VUHVRTRXSA-N 0 3 205.323 0.975 20 0 BCADHN CC/C=C/CN[C@@H](C)CS(C)(=O)=O ZINC000384852964 367744930 /nfs/dbraw/zinc/74/49/30/367744930.db2.gz BYNKLGCNEVOLPJ-CYNONHLPSA-N 0 3 205.323 0.975 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000384919788 367756937 /nfs/dbraw/zinc/75/69/37/367756937.db2.gz QZKGXZABASTUBJ-AATLWQCWSA-N 0 3 214.309 0.667 20 0 BCADHN OC[C@@H](NCC1(CO)COC1)c1ccccc1 ZINC000384641442 367710466 /nfs/dbraw/zinc/71/04/66/367710466.db2.gz XIQVQAXZLHJSGK-GFCCVEGCSA-N 0 3 237.299 0.319 20 0 BCADHN CCOC(=O)CCCNC(=O)[C@H](N)CC(C)C ZINC000081524361 370887251 /nfs/dbraw/zinc/88/72/51/370887251.db2.gz BUFPCBLPGPBSDG-SNVBAGLBSA-N 0 3 244.335 0.819 20 0 BCADHN COC[C@H](C)CN1CC(C)(C(N)=O)C1 ZINC000581727079 367792423 /nfs/dbraw/zinc/79/24/23/367792423.db2.gz FAYFPXRZXKUXNR-MRVPVSSYSA-N 0 3 200.282 0.076 20 0 BCADHN CC[C@H](COC)NC(COC)COC ZINC000385211783 367809380 /nfs/dbraw/zinc/80/93/80/367809380.db2.gz QKJZAZMDZLJYIV-SECBINFHSA-N 0 3 205.298 0.662 20 0 BCADHN C[C@H]1[C@@H](CO)CCN1Cc1cccc(C(N)=O)c1 ZINC000385690820 367855506 /nfs/dbraw/zinc/85/55/06/367855506.db2.gz JSSFXTWXNJIBQE-GXFFZTMASA-N 0 3 248.326 0.988 20 0 BCADHN Cc1nn(C)cc1CN1CCNC[C@H]1C(F)F ZINC000581884400 367875188 /nfs/dbraw/zinc/87/51/88/367875188.db2.gz ILOVQVJYFUWEPQ-JTQLQIEISA-N 0 3 244.289 0.767 20 0 BCADHN CCC[C@@H](NC(=O)CNC1CC1)C(=O)OC ZINC000566187162 326008793 /nfs/dbraw/zinc/00/87/93/326008793.db2.gz PFLKAIBKDQBJTL-SECBINFHSA-N 0 3 228.292 0.196 20 0 BCADHN CCN(C)C(=O)CN[C@@H](CO)C1CCCCC1 ZINC000386123268 367915497 /nfs/dbraw/zinc/91/54/97/367915497.db2.gz COBBJRCHGOWQBT-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)c1cnn(CCN(C)C)c1 ZINC000630912362 367915714 /nfs/dbraw/zinc/91/57/14/367915714.db2.gz UQOOWTSQDABVGF-MWLCHTKSSA-N 0 3 236.319 0.583 20 0 BCADHN CC[C@@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000087613560 367918972 /nfs/dbraw/zinc/91/89/72/367918972.db2.gz JURYBWYOUHFJQX-ZJUUUORDSA-N 0 3 213.325 0.134 20 0 BCADHN C[C@H]1[C@@H](CO)CCN1CC(=O)NC(C)(C)C ZINC000386005672 367895469 /nfs/dbraw/zinc/89/54/69/367895469.db2.gz SWSVPGSRQDNNIA-VHSXEESVSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1nc(NC(=O)[C@@H]2CC[N@@H+](C)C2)n[n-]1 ZINC000386243278 367936798 /nfs/dbraw/zinc/93/67/98/367936798.db2.gz YXBKFOKNYZNIOW-SSDOTTSWSA-N 0 3 209.253 0.003 20 0 BCADHN Cc1nc(NC(=O)[C@@H]2CC[N@H+](C)C2)n[n-]1 ZINC000386243278 367936804 /nfs/dbraw/zinc/93/68/04/367936804.db2.gz YXBKFOKNYZNIOW-SSDOTTSWSA-N 0 3 209.253 0.003 20 0 BCADHN CCN1CCC(NC(=O)c2nccnc2N)CC1 ZINC000022992131 367987684 /nfs/dbraw/zinc/98/76/84/367987684.db2.gz FHWXTXCDIAZVAE-UHFFFAOYSA-N 0 3 249.318 0.273 20 0 BCADHN CN1CCC[C@@H](NC(=O)CCC2(O)CCC2)C1 ZINC000630933287 367992862 /nfs/dbraw/zinc/99/28/62/367992862.db2.gz BLLPDGTZNBXJSM-LLVKDONJSA-N 0 3 240.347 0.892 20 0 BCADHN CCOC(=O)CN1CCNC[C@H]1C(F)F ZINC000566242067 326022087 /nfs/dbraw/zinc/02/20/87/326022087.db2.gz FJLJAACCKLDPSJ-ZETCQYMHSA-N 0 3 222.235 0.088 20 0 BCADHN CN1CC[C@@H](NC[C@H](O)Cc2ccccc2)C1=O ZINC000581939056 367966077 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CC[C@@H](C(=O)N1C[C@@H](C)N[C@@H](CC)C1)N(C)C ZINC000620902288 370049821 /nfs/dbraw/zinc/04/98/21/370049821.db2.gz RBULISQYHKFJDW-WOPDTQHZSA-N 0 3 241.379 0.926 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H](C)N1 ZINC000620904711 370052656 /nfs/dbraw/zinc/05/26/56/370052656.db2.gz XQQMKOCHTIKWAJ-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN CCCN(CCS(=O)(=O)NC)CC1CC1 ZINC000621243959 370176361 /nfs/dbraw/zinc/17/63/61/370176361.db2.gz XUCVXKVFDMHZFK-UHFFFAOYSA-N 0 3 234.365 0.658 20 0 BCADHN CNS(=O)(=O)CCN(C)C1CCCC1 ZINC000621244908 370178558 /nfs/dbraw/zinc/17/85/58/370178558.db2.gz FUTZRAVATNVOLR-UHFFFAOYSA-N 0 3 220.338 0.410 20 0 BCADHN CCN(CCS(=O)(=O)NC)C1CCCC1 ZINC000621248139 370182754 /nfs/dbraw/zinc/18/27/54/370182754.db2.gz WOYKJIDBHNCTEL-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN CC(=O)CCC(=O)N1CCN[C@H](C(C)C)C1 ZINC000621147906 370122899 /nfs/dbraw/zinc/12/28/99/370122899.db2.gz BPSNYWFQXDXSHF-NSHDSACASA-N 0 3 226.320 0.812 20 0 BCADHN CCO[C@@H](C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621150277 370122940 /nfs/dbraw/zinc/12/29/40/370122940.db2.gz APEYURQDDBKTFF-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@H]1CCCN1CCS(=O)(=O)NC ZINC000621254133 370183022 /nfs/dbraw/zinc/18/30/22/370183022.db2.gz IGXIHUAXNBKTGB-VIFPVBQESA-N 0 3 220.338 0.410 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2ccc[nH]c2=O)CCN1 ZINC000621150822 370124256 /nfs/dbraw/zinc/12/42/56/370124256.db2.gz NUUCDSXTXGKGQW-LLVKDONJSA-N 0 3 249.314 0.857 20 0 BCADHN CO[C@H](C)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000621151905 370124411 /nfs/dbraw/zinc/12/44/11/370124411.db2.gz KNDDGOZGTOQKKQ-ZJUUUORDSA-N 0 3 214.309 0.478 20 0 BCADHN CC(C)[C@H]1CN(C(=O)Cc2ccon2)CCN1 ZINC000621154872 370127136 /nfs/dbraw/zinc/12/71/36/370127136.db2.gz ULRNFZATWDSNFU-LLVKDONJSA-N 0 3 237.303 0.674 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCN1 ZINC000621154300 370127460 /nfs/dbraw/zinc/12/74/60/370127460.db2.gz JPBCJEFRBUUPGJ-NSHDSACASA-N 0 3 236.319 0.409 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)Cc2ccn[nH]2)CCN1 ZINC000621154300 370127462 /nfs/dbraw/zinc/12/74/62/370127462.db2.gz JPBCJEFRBUUPGJ-NSHDSACASA-N 0 3 236.319 0.409 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@@H](C(C)C)C2)cnn1 ZINC000621156886 370128727 /nfs/dbraw/zinc/12/87/27/370128727.db2.gz KJLIYNNYMAUUBJ-GFCCVEGCSA-N 0 3 248.330 0.855 20 0 BCADHN Cc1c[nH]nc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621158408 370130370 /nfs/dbraw/zinc/13/03/70/370130370.db2.gz OURZBMYXTNILGV-SNVBAGLBSA-N 0 3 236.319 0.788 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2cncc([O-])c2)CCN1 ZINC000621158468 370130480 /nfs/dbraw/zinc/13/04/80/370130480.db2.gz QAQVYTUHCIMUKX-LBPRGKRZSA-N 0 3 249.314 0.857 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2cncc([O-])c2)CC[NH2+]1 ZINC000621158468 370130481 /nfs/dbraw/zinc/13/04/81/370130481.db2.gz QAQVYTUHCIMUKX-LBPRGKRZSA-N 0 3 249.314 0.857 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621159543 370131698 /nfs/dbraw/zinc/13/16/98/370131698.db2.gz MRJWSWVSRRDXPB-GHMZBOCLSA-N 0 3 228.336 0.460 20 0 BCADHN COCCN(C)CCCNC(=O)N[C@@H]1C[C@H]1C ZINC000076074251 370210978 /nfs/dbraw/zinc/21/09/78/370210978.db2.gz ABEBFKAWUCGWJA-GHMZBOCLSA-N 0 3 243.351 0.662 20 0 BCADHN CNS(=O)(=O)CCN1CCC[C@H](C(C)C)C1 ZINC000621284516 370214949 /nfs/dbraw/zinc/21/49/49/370214949.db2.gz UZKUKXOECDCUKX-NSHDSACASA-N 0 3 248.392 0.904 20 0 BCADHN CCN(CCO)CCn1ccccc1=O ZINC000112091110 370217001 /nfs/dbraw/zinc/21/70/01/370217001.db2.gz NJGBHUPXEXPGQQ-UHFFFAOYSA-N 0 3 210.277 0.163 20 0 BCADHN CNS(=O)(=O)CCN(C)C1(C)CCCC1 ZINC000621288185 370217490 /nfs/dbraw/zinc/21/74/90/370217490.db2.gz PIFIELVJJQFWJJ-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN Cc1cc(CN(CCO)C[C@@H](C)O)ccn1 ZINC000621296527 370223733 /nfs/dbraw/zinc/22/37/33/370223733.db2.gz XBMFCQMOLUUNQT-LLVKDONJSA-N 0 3 224.304 0.565 20 0 BCADHN CCN(CCS(=O)(=O)NC)CC(C)(C)C ZINC000621297314 370224760 /nfs/dbraw/zinc/22/47/60/370224760.db2.gz JVSOJVCPMLSDCI-UHFFFAOYSA-N 0 3 236.381 0.904 20 0 BCADHN CCOCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000309548083 370225992 /nfs/dbraw/zinc/22/59/92/370225992.db2.gz DZFHSGMTHLUBMK-SNVBAGLBSA-N 0 3 214.309 0.479 20 0 BCADHN CNS(=O)(=O)CCN1CC[C@@H](C2CCC2)C1 ZINC000621302482 370233045 /nfs/dbraw/zinc/23/30/45/370233045.db2.gz FGQUBWQKDZKBBY-LLVKDONJSA-N 0 3 246.376 0.658 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)C(C)(C)CO ZINC000568199458 326325291 /nfs/dbraw/zinc/32/52/91/326325291.db2.gz YQKTXWZJEFYPIN-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN CNS(=O)(=O)CCN1CC[C@@H]2CCCC[C@@H]21 ZINC000621311264 370236397 /nfs/dbraw/zinc/23/63/97/370236397.db2.gz DMFDGWRSUVGVRC-QWRGUYRKSA-N 0 3 246.376 0.800 20 0 BCADHN Cc1cc(CN2CCN3C[C@H](O)C[C@H]3C2)ccn1 ZINC000621312920 370237324 /nfs/dbraw/zinc/23/73/24/370237324.db2.gz LYDKBYRFHVOJBZ-UONOGXRCSA-N 0 3 247.342 0.641 20 0 BCADHN Cc1cc(CN(CCO)CCCO)ccn1 ZINC000621257332 370189447 /nfs/dbraw/zinc/18/94/47/370189447.db2.gz RFTBHKJWQFOTTD-UHFFFAOYSA-N 0 3 224.304 0.567 20 0 BCADHN CNS(=O)(=O)CCN1C[C@H](C)C[C@H]1C ZINC000621259342 370191493 /nfs/dbraw/zinc/19/14/93/370191493.db2.gz RXWVKZABLLJCHF-RKDXNWHRSA-N 0 3 220.338 0.266 20 0 BCADHN CNS(=O)(=O)CCN1CC[C@H](C)[C@@H]1C ZINC000621261266 370193223 /nfs/dbraw/zinc/19/32/23/370193223.db2.gz KCPXZRPLVYYHNN-IUCAKERBSA-N 0 3 220.338 0.266 20 0 BCADHN CNS(=O)(=O)CCN1C[C@H](C)CC[C@@H]1C ZINC000621260814 370193367 /nfs/dbraw/zinc/19/33/67/370193367.db2.gz RHNWUFYGYNLYTE-ZJUUUORDSA-N 0 3 234.365 0.656 20 0 BCADHN CNS(=O)(=O)CCN1C[C@@H](C)CC[C@@H]1C ZINC000621260812 370193462 /nfs/dbraw/zinc/19/34/62/370193462.db2.gz RHNWUFYGYNLYTE-UWVGGRQHSA-N 0 3 234.365 0.656 20 0 BCADHN CNS(=O)(=O)CCN1CC[C@@H](C)[C@@H]1C ZINC000621261264 370193833 /nfs/dbraw/zinc/19/38/33/370193833.db2.gz KCPXZRPLVYYHNN-BDAKNGLRSA-N 0 3 220.338 0.266 20 0 BCADHN CNS(=O)(=O)CCN(C)C[C@@H]1CC1(C)C ZINC000621323103 370251877 /nfs/dbraw/zinc/25/18/77/370251877.db2.gz SNSZXZMKSXKGSY-VIFPVBQESA-N 0 3 234.365 0.514 20 0 BCADHN CN(C)CCNC(=O)c1cc(F)c[nH]c1=O ZINC000621268579 370200319 /nfs/dbraw/zinc/20/03/19/370200319.db2.gz PTVHGCHCFCLOHC-UHFFFAOYSA-N 0 3 227.239 0.218 20 0 BCADHN Cc1nc(C)c(C(=O)NC2CCN(C)CC2)[nH]1 ZINC000621323659 370252224 /nfs/dbraw/zinc/25/22/24/370252224.db2.gz IYCYLECDWSZSGK-UHFFFAOYSA-N 0 3 236.319 0.851 20 0 BCADHN COCc1cc(N[C@@H](C)CN(C)C)ncn1 ZINC000309892130 370272271 /nfs/dbraw/zinc/27/22/71/370272271.db2.gz CZHKBESXACFXRZ-VIFPVBQESA-N 0 3 224.308 0.985 20 0 BCADHN COC[C@](C)(O)CNCc1ccc(CO)o1 ZINC000309961532 370280513 /nfs/dbraw/zinc/28/05/13/370280513.db2.gz LKULBYVUSBAZCR-LLVKDONJSA-N 0 3 229.276 0.259 20 0 BCADHN Cn1ccc(CNC2CCC(C(N)=O)CC2)n1 ZINC000112355624 370287433 /nfs/dbraw/zinc/28/74/33/370287433.db2.gz YRMUEQDMNJQXQF-UHFFFAOYSA-N 0 3 236.319 0.554 20 0 BCADHN CC(C)N(C)CCNCc1ccn(C)n1 ZINC000112344962 370287828 /nfs/dbraw/zinc/28/78/28/370287828.db2.gz BJLQJZCODLHSNP-UHFFFAOYSA-N 0 3 210.325 0.850 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)C)C[C@@H]1CO ZINC000621360703 370295602 /nfs/dbraw/zinc/29/56/02/370295602.db2.gz FVHHTWBTTYWPPX-NXEZZACHSA-N 0 3 214.309 0.025 20 0 BCADHN CCCNC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000621363684 370297813 /nfs/dbraw/zinc/29/78/13/370297813.db2.gz VIYQTEVKYNDHGQ-GRYCIOLGSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H]1CCN(Cc2cncn2C)C[C@@H]1CO ZINC000621367122 370303689 /nfs/dbraw/zinc/30/36/89/370303689.db2.gz VXIJFSJYMSQXOO-GHMZBOCLSA-N 0 3 223.320 0.870 20 0 BCADHN CN(C)C(=O)CN1CC(C)(C)CC[C@@H]1CO ZINC000621375746 370306247 /nfs/dbraw/zinc/30/62/47/370306247.db2.gz DERGFBMYHAXOHD-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN CC(=O)N1CC(NC[C@@H]2CCSC2)C1 ZINC000568238726 326332366 /nfs/dbraw/zinc/33/23/66/326332366.db2.gz AVENOTFCNIYTAA-VIFPVBQESA-N 0 3 214.334 0.560 20 0 BCADHN CC1CC(CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000621672512 370424547 /nfs/dbraw/zinc/42/45/47/370424547.db2.gz IBORFGKATNEYTH-HTAVTVPLSA-N 0 3 240.347 0.917 20 0 BCADHN COc1ccc(F)c(CNC(=O)C2(N)CC2)c1 ZINC000621673112 370426090 /nfs/dbraw/zinc/42/60/90/370426090.db2.gz GMWHZSSWQOVMEG-UHFFFAOYSA-N 0 3 238.262 0.942 20 0 BCADHN CCN(CCN1CCCCC1)CC(=O)N(C)C ZINC000077172547 370398695 /nfs/dbraw/zinc/39/86/95/370398695.db2.gz LOEHHRDYRKUWRN-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CC[C@H]1CN(Cc2nccnc2C)C[C@H]1O ZINC000621720256 370471181 /nfs/dbraw/zinc/47/11/81/370471181.db2.gz QVEKUVZYGCJPSR-CMPLNLGQSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1nccnc1CN1CC[C@@H](C)[C@H]1CO ZINC000621724196 370475720 /nfs/dbraw/zinc/47/57/20/370475720.db2.gz BNZIZRHQFOTYSH-BXKDBHETSA-N 0 3 221.304 0.988 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(Cc2nccnc2C)C1 ZINC000621725072 370476705 /nfs/dbraw/zinc/47/67/05/370476705.db2.gz BILJQRUTCKYCQH-ZDUSSCGKSA-N 0 3 248.330 0.743 20 0 BCADHN CCn1cncc1CN1CC[C@@H](CC(N)=O)C1 ZINC000621728239 370480356 /nfs/dbraw/zinc/48/03/56/370480356.db2.gz HQWSFHJFAJMTFZ-JTQLQIEISA-N 0 3 236.319 0.600 20 0 BCADHN Cc1nccnc1CN1CC[C@H]2CN(C)C[C@H]21 ZINC000621728934 370481640 /nfs/dbraw/zinc/48/16/40/370481640.db2.gz CXLRUPHUTURHPP-WCQYABFASA-N 0 3 232.331 0.921 20 0 BCADHN NCCN[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621776006 370524207 /nfs/dbraw/zinc/52/42/07/370524207.db2.gz ABTXEAXZNINNFU-LLVKDONJSA-N 0 3 240.328 0.204 20 0 BCADHN CO[C@@H](CN)C(=O)NCCCC(C)(C)C ZINC000313465833 370589197 /nfs/dbraw/zinc/58/91/97/370589197.db2.gz DOVVLYBZGARUFA-VIFPVBQESA-N 0 3 216.325 0.903 20 0 BCADHN CCO[C@H](CC)C(=O)NCCN(C)CC ZINC000066948930 370620170 /nfs/dbraw/zinc/62/01/70/370620170.db2.gz LADJXVHKYFTHFE-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN COC[C@H](O)CNCc1cnc2n1CCCC2 ZINC000568620758 326367827 /nfs/dbraw/zinc/36/78/27/326367827.db2.gz PGJRGUVXTXUIFG-LLVKDONJSA-N 0 3 239.319 0.316 20 0 BCADHN O=C(CNCc1ccc(=O)[nH]c1)NC1CC1 ZINC000631039993 370997224 /nfs/dbraw/zinc/99/72/24/370997224.db2.gz OKQGACLAWJDYKV-UHFFFAOYSA-N 0 3 221.260 0.155 20 0 BCADHN CC[C@@H](O)CC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000622615382 371018224 /nfs/dbraw/zinc/01/82/24/371018224.db2.gz OYQUENOOKUFKFZ-YPMHNXCESA-N 0 3 240.347 0.702 20 0 BCADHN CCN(C)C(=O)CCN1CCNC[C@@H]1C(F)F ZINC000568748452 326374823 /nfs/dbraw/zinc/37/48/23/326374823.db2.gz AWXJUCDYKJTSLH-SECBINFHSA-N 0 3 249.305 0.394 20 0 BCADHN CCN(CC)CC(=O)NCCC1(CO)CC1 ZINC000622652163 371038082 /nfs/dbraw/zinc/03/80/82/371038082.db2.gz CIDZXHJUJPATTH-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN CC[C@H](C(=O)NCC1(CC)COC1)N(C)C ZINC000622655451 371040337 /nfs/dbraw/zinc/04/03/37/371040337.db2.gz NXSIEEOKJKZHGJ-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN COC(=O)c1ccc(CNCC[C@H](C)O)o1 ZINC000082993052 371058413 /nfs/dbraw/zinc/05/84/13/371058413.db2.gz IWSLFQQQFMMDAU-QMMMGPOBSA-N 0 3 227.260 0.927 20 0 BCADHN CC[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000568828145 326378431 /nfs/dbraw/zinc/37/84/31/326378431.db2.gz ODEBWNBYSGFKFY-AXFHLTTASA-N 0 3 225.336 0.419 20 0 BCADHN O[C@@H]1COCC[C@H]1NCc1cccs1 ZINC000623765114 371086191 /nfs/dbraw/zinc/08/61/91/371086191.db2.gz NYGPYZBLUWSCLO-NXEZZACHSA-N 0 3 213.302 0.988 20 0 BCADHN OC[C@H](CNC[C@@H](O)C(F)(F)F)C1CC1 ZINC000568762186 326375841 /nfs/dbraw/zinc/37/58/41/326375841.db2.gz ZVTFIGGNLRYZLO-JGVFFNPUSA-N 0 3 227.226 0.518 20 0 BCADHN C[C@@H]1C[C@H](C)CN(c2nc(N)nc(N)n2)C1 ZINC000623788942 371094327 /nfs/dbraw/zinc/09/43/27/371094327.db2.gz XNKNBJBDIHADJT-KNVOCYPGSA-N 0 3 222.296 0.179 20 0 BCADHN Nc1nc(N)nc(NCCC2=CCCCC2)n1 ZINC000623790796 371094928 /nfs/dbraw/zinc/09/49/28/371094928.db2.gz QJQNRICJRWDNDU-UHFFFAOYSA-N 0 3 234.307 0.421 20 0 BCADHN C[C@H](CNc1nc(N)nc(N)n1)c1ccccc1 ZINC000623800479 371099501 /nfs/dbraw/zinc/09/95/01/371099501.db2.gz LMXPSWAOANGRTQ-MRVPVSSYSA-N 0 3 244.302 0.334 20 0 BCADHN Nc1nc(N)nc(N[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000623890473 371141348 /nfs/dbraw/zinc/14/13/48/371141348.db2.gz NDTJDXQIQILMFW-BDAKNGLRSA-N 0 3 242.286 0.087 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CC[C@@H]([C@@H](C)O)C1 ZINC000226458587 371101320 /nfs/dbraw/zinc/10/13/20/371101320.db2.gz ZLGIOUPUZFHPDQ-MXWKQRLJSA-N 0 3 245.319 0.003 20 0 BCADHN O=C1[C@H](N[C@@H]2CCOC2)CCN1C1CCC1 ZINC000623841254 371122407 /nfs/dbraw/zinc/12/24/07/371122407.db2.gz SIAVYCOFJWCGTE-MWLCHTKSSA-N 0 3 224.304 0.518 20 0 BCADHN CC(C)CCN(c1nc(N)nc(N)n1)C1CC1 ZINC000623843243 371124548 /nfs/dbraw/zinc/12/45/48/371124548.db2.gz FOOLYHFITGYUSG-UHFFFAOYSA-N 0 3 236.323 0.712 20 0 BCADHN CCN(CCN)C(=O)C(=O)NC[C@@H](C)C(C)C ZINC000627353746 371125699 /nfs/dbraw/zinc/12/56/99/371125699.db2.gz JUUWSXMPVWMXAX-SNVBAGLBSA-N 0 3 243.351 0.202 20 0 BCADHN C[C@@H]1CCC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000623848035 371125952 /nfs/dbraw/zinc/12/59/52/371125952.db2.gz COKAVWAOGFNKLP-RNFRBKRXSA-N 0 3 222.296 0.109 20 0 BCADHN CCN(CC(C)C)c1nc(N)nc(N)n1 ZINC000623850493 371127410 /nfs/dbraw/zinc/12/74/10/371127410.db2.gz IMUNJBZPJYTDGJ-UHFFFAOYSA-N 0 3 210.285 0.179 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCCc1cnccn1 ZINC000390013663 371186690 /nfs/dbraw/zinc/18/66/90/371186690.db2.gz PAHCQUIXWTXZPW-SNVBAGLBSA-N 0 3 236.319 0.509 20 0 BCADHN N[C@@H](CNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 ZINC000062838010 181547845 /nfs/dbraw/zinc/54/78/45/181547845.db2.gz DDVOJGGYHCVNAP-WDEREUQCSA-N 0 3 247.298 0.081 20 0 BCADHN COC[C@H](CO)N[C@@H](C)[C@@H]1CCCCO1 ZINC000623975845 371209506 /nfs/dbraw/zinc/20/95/06/371209506.db2.gz RFUBHTICCIAYFE-DCAQKATOSA-N 0 3 217.309 0.541 20 0 BCADHN C[C@H](CNC(=O)c1cn(C2CC2)nn1)N(C)C ZINC000623975987 371210606 /nfs/dbraw/zinc/21/06/06/371210606.db2.gz VUXHWDNQEGKKTM-MRVPVSSYSA-N 0 3 237.307 0.293 20 0 BCADHN CCn1cc(C(=O)NC[C@H](C)N(C)C)c(C)n1 ZINC000623975776 371210711 /nfs/dbraw/zinc/21/07/11/371210711.db2.gz PMGHWEOYRJDVTL-VIFPVBQESA-N 0 3 238.335 0.891 20 0 BCADHN C[C@@H](C(=O)NC[C@H]1CNCCO1)C1CC1 ZINC000163359903 326400884 /nfs/dbraw/zinc/40/08/84/326400884.db2.gz BVNTUFKYJLUFOM-PSASIEDQSA-N 0 3 212.293 0.137 20 0 BCADHN C[C@H](C(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000163359509 326400887 /nfs/dbraw/zinc/40/08/87/326400887.db2.gz BVNTUFKYJLUFOM-WPRPVWTQSA-N 0 3 212.293 0.137 20 0 BCADHN CCn1nncc1CN[C@@H](C)CCCCO ZINC000624026788 371258333 /nfs/dbraw/zinc/25/83/33/371258333.db2.gz WFQPJBYNRUHXSC-JTQLQIEISA-N 0 3 226.324 0.939 20 0 BCADHN C[C@@H](N[C@@H]1COC[C@H]1O)[C@@H]1CCCCO1 ZINC000623996044 371229747 /nfs/dbraw/zinc/22/97/47/371229747.db2.gz QYTHGJRBINABNO-DBIOUOCHSA-N 0 3 215.293 0.293 20 0 BCADHN CCC(CC)(CC)CNc1nc(N)nc(N)n1 ZINC000624034348 371262427 /nfs/dbraw/zinc/26/24/27/371262427.db2.gz LHJPCRCQRZZDRM-UHFFFAOYSA-N 0 3 238.339 0.747 20 0 BCADHN CS(=O)(=O)CCCNCc1ccc(=O)[nH]c1 ZINC000631064385 371244628 /nfs/dbraw/zinc/24/46/28/371244628.db2.gz RRQRYHNNZIBLNR-UHFFFAOYSA-N 0 3 244.316 0.312 20 0 BCADHN COCC[C@H](C)N[C@H](CO)c1ccnn1C ZINC000624018248 371253284 /nfs/dbraw/zinc/25/32/84/371253284.db2.gz OTJUFYOIRAFACH-VHSXEESVSA-N 0 3 227.308 0.468 20 0 BCADHN COCCC[C@@H](C)N[C@H](CO)c1ccnn1C ZINC000624020464 371253786 /nfs/dbraw/zinc/25/37/86/371253786.db2.gz OKCIXUFKYBRQTF-GHMZBOCLSA-N 0 3 241.335 0.858 20 0 BCADHN CCC[C@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000624033139 371261671 /nfs/dbraw/zinc/26/16/71/371261671.db2.gz YPLUFFXFNMAHAE-QMMMGPOBSA-N 0 3 236.323 0.713 20 0 BCADHN CC1(C)CN(c2nc(N)nc(N)n2)CCS1 ZINC000624025571 371256819 /nfs/dbraw/zinc/25/68/19/371256819.db2.gz CTGUDAQPZDPXPR-UHFFFAOYSA-N 0 3 240.336 0.029 20 0 BCADHN Nc1nc(N)nc(NCCC2=CCCC2)n1 ZINC000624060997 371285895 /nfs/dbraw/zinc/28/58/95/371285895.db2.gz PGTCFFGHRNESJH-UHFFFAOYSA-N 0 3 220.280 0.031 20 0 BCADHN C[C@@H]1CCN(c2nc(N)nc(N)n2)CC1(C)C ZINC000624101726 371308241 /nfs/dbraw/zinc/30/82/41/371308241.db2.gz XVKSZIOXIFJXLX-SSDOTTSWSA-N 0 3 236.323 0.569 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1C)c1cnccn1 ZINC000624172170 371363416 /nfs/dbraw/zinc/36/34/16/371363416.db2.gz IPBXGSDYPAWHCO-WDEREUQCSA-N 0 3 236.319 0.458 20 0 BCADHN Cc1nccnc1[C@H](C)N[C@H]1C[C@H](C(N)=O)C1 ZINC000624132693 371335206 /nfs/dbraw/zinc/33/52/06/371335206.db2.gz WWQVKYOZCDXRSD-GUBZILKMSA-N 0 3 234.303 0.700 20 0 BCADHN CCO[C@@]1(C)C[C@H]1N[C@@H](C)Cn1cncn1 ZINC000624144624 371340302 /nfs/dbraw/zinc/34/03/02/371340302.db2.gz XDIXHRIJCJLKSK-AXFHLTTASA-N 0 3 224.308 0.824 20 0 BCADHN C[C@H](NCCN1CC[C@@H](O)C1)c1cnn(C)c1 ZINC000624226994 371415511 /nfs/dbraw/zinc/41/55/11/371415511.db2.gz CVABRTMPMZACAI-CMPLNLGQSA-N 0 3 238.335 0.137 20 0 BCADHN Nc1nc(N)nc(N2CCC[C@@H](C3CC3)C2)n1 ZINC000624227074 371415738 /nfs/dbraw/zinc/41/57/38/371415738.db2.gz GJZSUXQZMPSRJW-MRVPVSSYSA-N 0 3 234.307 0.323 20 0 BCADHN C[C@@H](NCCN1CC[C@@H](O)C1)c1ccnn1C ZINC000624231235 371418274 /nfs/dbraw/zinc/41/82/74/371418274.db2.gz UBUFWXBWSUWODC-GHMZBOCLSA-N 0 3 238.335 0.137 20 0 BCADHN Nc1nc(N)nc(N2CCCC[C@@H]2C2CCC2)n1 ZINC000624336994 371486777 /nfs/dbraw/zinc/48/67/77/371486777.db2.gz DXKWUIQPRWMKKK-SECBINFHSA-N 0 3 248.334 0.856 20 0 BCADHN C[C@H](N[C@@H]1CCOC[C@H]1O)c1ccnn1C ZINC000624237925 371426085 /nfs/dbraw/zinc/42/60/85/371426085.db2.gz HGMFIACMFUNTJG-IQJOONFLSA-N 0 3 225.292 0.221 20 0 BCADHN CC1(C)CN(c2nc(N)nc(N)n2)[C@@H]2CCC[C@@H]21 ZINC000624247131 371432919 /nfs/dbraw/zinc/43/29/19/371432919.db2.gz VVNONPRNRJFKNF-JGVFFNPUSA-N 0 3 248.334 0.712 20 0 BCADHN COCCOC[C@@H](C)NCc1ccc(=O)[nH]c1 ZINC000631078459 371434158 /nfs/dbraw/zinc/43/41/58/371434158.db2.gz GBEIZTFJPCUNFA-SNVBAGLBSA-N 0 3 240.303 0.928 20 0 BCADHN CCC[C@@H](Nc1nc(N)nc(N)n1)C1CCC1 ZINC000624273758 371454258 /nfs/dbraw/zinc/45/42/58/371454258.db2.gz HOPYGAHWYGMRAR-MRVPVSSYSA-N 0 3 236.323 0.499 20 0 BCADHN CC[C@H](Nc1nc(N)nc(N)n1)[C@H]1CC1(C)C ZINC000624286383 371456126 /nfs/dbraw/zinc/45/61/26/371456126.db2.gz UXTPUMSGZKIBQS-RQJHMYQMSA-N 0 3 236.323 0.355 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)NC[C@H]2CCCN2C)CO1 ZINC000624291078 371459765 /nfs/dbraw/zinc/45/97/65/371459765.db2.gz LLYCNFLTPPAGPU-HBNTYKKESA-N 0 3 241.335 0.557 20 0 BCADHN CN1CCC[C@H]1CNC(=O)NCCOCCF ZINC000624397240 371499999 /nfs/dbraw/zinc/49/99/99/371499999.db2.gz UJTCIQKTUQHHOY-JTQLQIEISA-N 0 3 247.314 0.366 20 0 BCADHN Nc1nc(N)nc(N(CCC2CC2)CC2CC2)n1 ZINC000624410040 371502813 /nfs/dbraw/zinc/50/28/13/371502813.db2.gz DJQOCOVTKWTYFZ-UHFFFAOYSA-N 0 3 248.334 0.713 20 0 BCADHN O=C(COCC(F)F)N[C@H]1CCN(C2CC2)C1 ZINC000624610887 371550550 /nfs/dbraw/zinc/55/05/50/371550550.db2.gz CWVXMKXNBMTCME-QMMMGPOBSA-N 0 3 248.273 0.621 20 0 BCADHN COC(C)(C)C(=O)NC[C@H]1CCCN(C)C1 ZINC000170978098 371572308 /nfs/dbraw/zinc/57/23/08/371572308.db2.gz PYLOKSUFSGXWGQ-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CN1CCC[C@H](NCc2ccc(=O)[nH]c2)C1=O ZINC000631082017 371575911 /nfs/dbraw/zinc/57/59/11/371575911.db2.gz FYTRPHLINXPRGV-JTQLQIEISA-N 0 3 235.287 0.498 20 0 BCADHN CN1CCO[C@H]2CN(CCCF)C[C@@H]21 ZINC000131247491 371576158 /nfs/dbraw/zinc/57/61/58/371576158.db2.gz ZHLAWNITDPUUJL-UWVGGRQHSA-N 0 3 202.273 0.361 20 0 BCADHN CCC(CC)NC(=O)C(=O)N(CC)CCN ZINC000627371679 371589627 /nfs/dbraw/zinc/58/96/27/371589627.db2.gz NXJDONXTVGZWID-UHFFFAOYSA-N 0 3 229.324 0.098 20 0 BCADHN CNc1cnc(C(=O)NC[C@@H]2CCCN2C)cn1 ZINC000226133599 371611993 /nfs/dbraw/zinc/61/19/93/371611993.db2.gz LZCXBCBOEMGWHA-VIFPVBQESA-N 0 3 249.318 0.342 20 0 BCADHN COC1CC(C(=O)N2CC[C@H]3CN(C)C[C@H]32)C1 ZINC000627488299 371653516 /nfs/dbraw/zinc/65/35/16/371653516.db2.gz VQBPCZNWVJZOMU-WNYYMSAVSA-N 0 3 238.331 0.574 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)C34CC(C3)C4)[C@@H]2C1 ZINC000627487675 371654507 /nfs/dbraw/zinc/65/45/07/371654507.db2.gz IMHRNSHTZXBXHI-PCQVFGIUSA-N 0 3 220.316 0.949 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C34CC(C3)C4)[C@@H]2C1 ZINC000627487676 371654860 /nfs/dbraw/zinc/65/48/60/371654860.db2.gz IMHRNSHTZXBXHI-QRVCZOOMSA-N 0 3 220.316 0.949 20 0 BCADHN CN[C@@H](C)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000227152456 371791216 /nfs/dbraw/zinc/79/12/16/371791216.db2.gz CAYCFDGBOKLZNT-YIZRAAEISA-N 0 3 200.282 0.230 20 0 BCADHN C[C@H](O)CN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132063670 371750042 /nfs/dbraw/zinc/75/00/42/371750042.db2.gz MNAHAOVIPGVAON-GUBZILKMSA-N 0 3 235.349 0.313 20 0 BCADHN C[C@H](CO)N[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132118024 371755418 /nfs/dbraw/zinc/75/54/18/371755418.db2.gz OCLNGYNQVLVZST-UTLUCORTSA-N 0 3 235.349 0.313 20 0 BCADHN CCN(C(=O)[C@H](C)OC)C1CCN(C)CC1 ZINC000627619887 371785833 /nfs/dbraw/zinc/78/58/33/371785833.db2.gz YFQJTHAQLKGKTC-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000227329161 371834697 /nfs/dbraw/zinc/83/46/97/371834697.db2.gz ZMFKDVDTYBIDKY-DJLDLDEBSA-N 0 3 200.282 0.014 20 0 BCADHN CC[C@H]1CCCN(CC(=O)NC(=O)NC)C1 ZINC000030142403 371889395 /nfs/dbraw/zinc/88/93/95/371889395.db2.gz CCMYSTUXDRDCML-VIFPVBQESA-N 0 3 227.308 0.564 20 0 BCADHN CCOC(=O)CCN(C)C[C@@H]1CCC(=O)N1 ZINC000227574303 371897288 /nfs/dbraw/zinc/89/72/88/371897288.db2.gz OJQGYLVTJHYOMV-VIFPVBQESA-N 0 3 228.292 0.150 20 0 BCADHN Cc1cncn1CC(=O)NCC1(N(C)C)CC1 ZINC000627777622 371970168 /nfs/dbraw/zinc/97/01/68/371970168.db2.gz IVVHKKLSZBRTNP-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCCCn1cccn1 ZINC000133557289 372073230 /nfs/dbraw/zinc/07/32/30/372073230.db2.gz LOGLKKQZMPTUCI-LLVKDONJSA-N 0 3 238.335 0.763 20 0 BCADHN CCc1nn(C)cc1CN[C@@H](C)C[S@](C)=O ZINC000164248287 372125529 /nfs/dbraw/zinc/12/55/29/372125529.db2.gz ZLGYGMPAXGCVKR-XXFAHNHDSA-N 0 3 243.376 0.839 20 0 BCADHN CCc1nn(C)cc1CN[C@H]1C[C@@H](CO)C1 ZINC000631198440 372211800 /nfs/dbraw/zinc/21/18/00/372211800.db2.gz QPMPSFZKOWRMQH-JGZJWPJOSA-N 0 3 223.320 0.843 20 0 BCADHN O[C@H](CCNCc1cnc2n1CCC2)C(F)F ZINC000631215015 372238337 /nfs/dbraw/zinc/23/83/37/372238337.db2.gz IAVOQLHYTPREIO-SECBINFHSA-N 0 3 245.273 0.935 20 0 BCADHN CN(C)CCNC(=O)c1nc(C2CC2)no1 ZINC000631312051 372289837 /nfs/dbraw/zinc/28/98/37/372289837.db2.gz VMCIJKVUEZSMHG-UHFFFAOYSA-N 0 3 224.264 0.238 20 0 BCADHN COC[C@H](C)N[C@H](C)[C@H](O)C(F)(F)F ZINC000631235214 372253130 /nfs/dbraw/zinc/25/31/30/372253130.db2.gz IBJWVNKBONUOQX-XVMARJQXSA-N 0 3 215.215 0.923 20 0 BCADHN COC[C@H](C)N[C@@H](C)[C@H](O)C(F)(F)F ZINC000631235209 372253328 /nfs/dbraw/zinc/25/33/28/372253328.db2.gz IBJWVNKBONUOQX-ACZMJKKPSA-N 0 3 215.215 0.923 20 0 BCADHN C[C@@H]1OCC[C@H]1NC1CN(c2ccncn2)C1 ZINC000631257338 372264335 /nfs/dbraw/zinc/26/43/35/372264335.db2.gz RQRMMYTYXZSHHM-GXSJLCMTSA-N 0 3 234.303 0.432 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1NC1CN(c2ccncn2)C1 ZINC000631258364 372265645 /nfs/dbraw/zinc/26/56/45/372265645.db2.gz QWAFQFGOIUDAKK-ZYHUDNBSSA-N 0 3 247.346 0.205 20 0 BCADHN c1[nH]nc2ncnc(N3CC(N4CCCC4)C3)c12 ZINC000631353561 372309368 /nfs/dbraw/zinc/30/93/68/372309368.db2.gz NPNLXISDGUEZIH-UHFFFAOYSA-N 0 3 244.302 0.637 20 0 BCADHN C[C@H](CNC(=O)CN(C)C)N(C)C1CC1 ZINC000171103459 372313455 /nfs/dbraw/zinc/31/34/55/372313455.db2.gz RFOCUPDQOUILCB-SECBINFHSA-N 0 3 213.325 0.147 20 0 BCADHN CC(C)NS(=O)(=O)CCCN1CCCC1 ZINC000631634430 372472718 /nfs/dbraw/zinc/47/27/18/372472718.db2.gz WGNXTLDPPFXLFF-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN Cc1nocc1S(=O)(=O)[N-]CCC[NH+](C)C ZINC000631638523 372475265 /nfs/dbraw/zinc/47/52/65/372475265.db2.gz DZDPKRALAOYQBN-UHFFFAOYSA-N 0 3 247.320 0.213 20 0 BCADHN CCNC(=O)NC1CCN(CCCOC)CC1 ZINC000171188800 372438892 /nfs/dbraw/zinc/43/88/92/372438892.db2.gz VZSHHCHVOXRGHS-UHFFFAOYSA-N 0 3 243.351 0.806 20 0 BCADHN COCCN(C)CCNC(=O)NCC1CCC1 ZINC000171198720 372459122 /nfs/dbraw/zinc/45/91/22/372459122.db2.gz ZDLJFOJBSOZEIX-UHFFFAOYSA-N 0 3 243.351 0.664 20 0 BCADHN CN(C)CCCS(=O)(=O)NCC1CCC1 ZINC000631734377 372538248 /nfs/dbraw/zinc/53/82/48/372538248.db2.gz JESWESVGEXYQIS-UHFFFAOYSA-N 0 3 234.365 0.658 20 0 BCADHN CCN(C(=O)NCCN(C)CCOC)C1CC1 ZINC000171212242 372493319 /nfs/dbraw/zinc/49/33/19/372493319.db2.gz NXRDRFNGPLEWLM-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN C[C@H](NS(=O)(=O)CCCN(C)C)C1CC1 ZINC000631676891 372503964 /nfs/dbraw/zinc/50/39/64/372503964.db2.gz JEZBRXUMFDZULW-VIFPVBQESA-N 0 3 234.365 0.656 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCC[C@H](O)C(F)F ZINC000631704305 372513208 /nfs/dbraw/zinc/51/32/08/372513208.db2.gz WICAJGVUDFNDEZ-RQJHMYQMSA-N 0 3 245.291 0.025 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCOC1 ZINC000171298933 372531333 /nfs/dbraw/zinc/53/13/33/372531333.db2.gz XFNIZJDOAACXRE-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CO[C@@H](C)[C@H](C)NC1CN(c2ccncn2)C1 ZINC000631746793 372547753 /nfs/dbraw/zinc/54/77/53/372547753.db2.gz RXJLHMIDXUDDFI-UWVGGRQHSA-N 0 3 236.319 0.678 20 0 BCADHN CCCC[C@@H](COC)N[C@@H]1COCC[C@H]1O ZINC000631748986 372549895 /nfs/dbraw/zinc/54/98/95/372549895.db2.gz GXBGDLSOFPJZMZ-QJPTWQEYSA-N 0 3 231.336 0.931 20 0 BCADHN C[C@H](N[C@@H]1COCC[C@H]1O)[C@@H]1CCCCO1 ZINC000631751013 372552924 /nfs/dbraw/zinc/55/29/24/372552924.db2.gz AXZGWFVLGIXXQD-QCNOEVLYSA-N 0 3 229.320 0.683 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CCCCO ZINC000631770319 372566653 /nfs/dbraw/zinc/56/66/53/372566653.db2.gz AHGAGCQZWUXWFT-CMPLNLGQSA-N 0 3 240.347 0.748 20 0 BCADHN c1cc(N2CC(N[C@@H]3CCCOC3)C2)ncn1 ZINC000631746435 372546786 /nfs/dbraw/zinc/54/67/86/372546786.db2.gz JNURAOCSTDNMOR-SNVBAGLBSA-N 0 3 234.303 0.434 20 0 BCADHN Cc1nocc1S(=O)(=O)[N-][C@]1(C)CC[NH2+]C1 ZINC000631953511 372703325 /nfs/dbraw/zinc/70/33/25/372703325.db2.gz MCJWBSNJZVTAMM-SECBINFHSA-N 0 3 245.304 0.013 20 0 BCADHN CN(C)CCCS(=O)(=O)N(C)CC(F)F ZINC000631899150 372687851 /nfs/dbraw/zinc/68/78/51/372687851.db2.gz ZVSZUOLZXGKBPS-UHFFFAOYSA-N 0 3 244.307 0.465 20 0 BCADHN Cc1cc(S(=O)(=O)[N-]CC(C)(C)[NH3+])sn1 ZINC000631906564 372691511 /nfs/dbraw/zinc/69/15/11/372691511.db2.gz PRIDFERFHGAWHY-UHFFFAOYSA-N 0 3 249.361 0.467 20 0 BCADHN CN(C)CCCS(=O)(=O)N(C)C1CCC1 ZINC000632037452 372734044 /nfs/dbraw/zinc/73/40/44/372734044.db2.gz WZJGLASMWCTYBT-UHFFFAOYSA-N 0 3 234.365 0.752 20 0 BCADHN CC1CC(NS(=O)(=O)CCCN(C)C)C1 ZINC000632061978 372742537 /nfs/dbraw/zinc/74/25/37/372742537.db2.gz KOTIOVIMNOGSBD-UHFFFAOYSA-N 0 3 234.365 0.656 20 0 BCADHN COCCN(CC1CCOCC1)[C@H](C)C(N)=O ZINC000171829105 372786403 /nfs/dbraw/zinc/78/64/03/372786403.db2.gz HZLFSVQZLVFOBY-SNVBAGLBSA-N 0 3 244.335 0.235 20 0 BCADHN CC1CN(S(=O)(=O)CCCN(C)C)C1 ZINC000632219941 372812947 /nfs/dbraw/zinc/81/29/47/372812947.db2.gz ZNWSNNHWOOAIII-UHFFFAOYSA-N 0 3 220.338 0.220 20 0 BCADHN CN(C)C[C@@H]1CN(CC(F)F)CCO1 ZINC000171994274 372848937 /nfs/dbraw/zinc/84/89/37/372848937.db2.gz XRQWAGBKGUEABK-MRVPVSSYSA-N 0 3 208.252 0.514 20 0 BCADHN CN1CC[C@@H]2CCN(C(=O)C3CSC3)[C@@H]2C1 ZINC000632337121 372890478 /nfs/dbraw/zinc/89/04/78/372890478.db2.gz UWWRJCNCKOKSFV-MWLCHTKSSA-N 0 3 240.372 0.902 20 0 BCADHN CCN(C)S(=O)(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000632369418 372902194 /nfs/dbraw/zinc/90/21/94/372902194.db2.gz ORYJFRXMPJGBPM-NXEZZACHSA-N 0 3 249.380 0.207 20 0 BCADHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)C1(C)CC1 ZINC000632368759 372903027 /nfs/dbraw/zinc/90/30/27/372903027.db2.gz JPIVPWRVIDPQFI-UWVGGRQHSA-N 0 3 246.376 0.893 20 0 BCADHN C[C@H](F)CCNS(=O)(=O)CCCN(C)C ZINC000632371204 372904524 /nfs/dbraw/zinc/90/45/24/372904524.db2.gz XSLJXMJXGGXKLC-VIFPVBQESA-N 0 3 240.344 0.606 20 0 BCADHN C[C@@H]1CN(S(=O)(=O)CCCN(C)C)[C@@H]1C ZINC000632377127 372907053 /nfs/dbraw/zinc/90/70/53/372907053.db2.gz UEKXKUOPTVGARC-NXEZZACHSA-N 0 3 234.365 0.608 20 0 BCADHN O=C(C[C@@H]1COCCN1)Nc1ncccc1O ZINC000134758867 182021445 /nfs/dbraw/zinc/02/14/45/182021445.db2.gz PUJHPHQXXZSOJU-MRVPVSSYSA-N 0 3 237.259 0.104 20 0 BCADHN O=C(C[C@@H]1CNCCO1)NCc1ccsc1 ZINC000085620154 182022309 /nfs/dbraw/zinc/02/23/09/182022309.db2.gz ZZFHNKSKYWLXEJ-SNVBAGLBSA-N 0 3 240.328 0.743 20 0 BCADHN O=C(C[C@@H]1CCC[NH2+]1)Nc1ncccc1[O-] ZINC000128598733 182017900 /nfs/dbraw/zinc/01/79/00/182017900.db2.gz DWFMKDJHDLLZCA-QMMMGPOBSA-N 0 3 221.260 0.868 20 0 BCADHN CN(C)CCCS(=O)(=O)N1CC[C@@H](F)C1 ZINC000632407600 372923425 /nfs/dbraw/zinc/92/34/25/372923425.db2.gz YDNARVKSBQUJDG-SECBINFHSA-N 0 3 238.328 0.312 20 0 BCADHN CC(C)[C@@H]1CCN1S(=O)(=O)CCCN(C)C ZINC000632414753 372926783 /nfs/dbraw/zinc/92/67/83/372926783.db2.gz IGKTYAXAOKUPHI-NSHDSACASA-N 0 3 248.392 0.998 20 0 BCADHN O=C(C[C@H]1CNCCO1)NC(C1CC1)C1CC1 ZINC000091310443 182030463 /nfs/dbraw/zinc/03/04/63/182030463.db2.gz AFSGRYWPXRFMCJ-NSHDSACASA-N 0 3 238.331 0.670 20 0 BCADHN O=C(C[C@H]1CNCCO1)NCCc1ccccn1 ZINC000091299199 182030550 /nfs/dbraw/zinc/03/05/50/182030550.db2.gz SNOLSSXBRJSUPC-LBPRGKRZSA-N 0 3 249.314 0.119 20 0 BCADHN O=C(C[C@H]1CNCCO1)NCCc1cccnc1 ZINC000091300393 182031027 /nfs/dbraw/zinc/03/10/27/182031027.db2.gz ITTZRWFOAYPBJM-LBPRGKRZSA-N 0 3 249.314 0.119 20 0 BCADHN O=C(C[C@H]1CSCCN1)NCC(F)F ZINC000133582800 182031268 /nfs/dbraw/zinc/03/12/68/182031268.db2.gz XBBCQJGJNZGFFU-LURJTMIESA-N 0 3 224.276 0.463 20 0 BCADHN O=C(C[C@H]1CNCCO1)NCc1ccccc1 ZINC000091298903 182031321 /nfs/dbraw/zinc/03/13/21/182031321.db2.gz MDKBBJWLQMRSKC-LBPRGKRZSA-N 0 3 234.299 0.681 20 0 BCADHN O=C(C[C@H]1CNCCO1)Nc1cccc(O)c1 ZINC000091310228 182031369 /nfs/dbraw/zinc/03/13/69/182031369.db2.gz MOSIJSLJVFNIGP-NSHDSACASA-N 0 3 236.271 0.709 20 0 BCADHN CCNS(=O)(=O)NC[C@@H](C)CN1CCCC1 ZINC000172448226 372977011 /nfs/dbraw/zinc/97/70/11/372977011.db2.gz LMCFKLTXIVITJD-SNVBAGLBSA-N 0 3 249.380 0.162 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2ccn(C)n2)[C@H]1C ZINC000379452043 373003617 /nfs/dbraw/zinc/00/36/17/373003617.db2.gz MUTQNTTWFLFRPQ-IUCAKERBSA-N 0 3 222.292 0.243 20 0 BCADHN O=C(N1CCCSCC1)[C@]1(F)CCNC1 ZINC000125307608 182081225 /nfs/dbraw/zinc/08/12/25/182081225.db2.gz MKSVDQARXVVXOY-JTQLQIEISA-N 0 3 232.324 0.654 20 0 BCADHN O=C(N1CCSCC1)[C@]1(F)CCNC1 ZINC000306421582 182082019 /nfs/dbraw/zinc/08/20/19/182082019.db2.gz HGLJGQXGKQBEDF-VIFPVBQESA-N 0 3 218.297 0.263 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1CCCn2nccc21 ZINC000632884263 373208606 /nfs/dbraw/zinc/20/86/06/373208606.db2.gz OIHMHXGAYQERNJ-SNVBAGLBSA-N 0 3 234.303 0.586 20 0 BCADHN CC(C)(F)CNC(=O)N[C@H](CN)C(F)(F)F ZINC000632954474 373230686 /nfs/dbraw/zinc/23/06/86/373230686.db2.gz IYCNWIUNZHHOHW-RXMQYKEDSA-N 0 3 245.220 0.923 20 0 BCADHN CN1CCC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000040452297 373277501 /nfs/dbraw/zinc/27/75/01/373277501.db2.gz ZCZVILYWNFECBS-SNVBAGLBSA-N 0 3 235.287 0.199 20 0 BCADHN Cc1cc(NC(=O)C(=O)NC2CNC2)cs1 ZINC000633001706 373248948 /nfs/dbraw/zinc/24/89/48/373248948.db2.gz KHQSBUMAAYETSN-UHFFFAOYSA-N 0 3 239.300 0.083 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3CSC3)[C@H]2C1 ZINC000633182536 373329003 /nfs/dbraw/zinc/32/90/03/373329003.db2.gz VHEDIKZYOHBYPZ-SCZZXKLOSA-N 0 3 226.345 0.512 20 0 BCADHN O=C(NC1CC1)[C@H]1CCCN1CCCCCO ZINC000304021930 182098097 /nfs/dbraw/zinc/09/80/97/182098097.db2.gz OTWKUZKPVWQDCL-GFCCVEGCSA-N 0 3 240.347 0.892 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cc2ncccn2n1 ZINC000633067519 373282732 /nfs/dbraw/zinc/28/27/32/373282732.db2.gz MECYIXLFCMRSMK-VIFPVBQESA-N 0 3 247.302 0.409 20 0 BCADHN O=C(NC1CCCC1)N1CCOC2(CNC2)C1 ZINC000333350832 182108507 /nfs/dbraw/zinc/10/85/07/182108507.db2.gz JNVAOWFNKFLMNO-UHFFFAOYSA-N 0 3 239.319 0.313 20 0 BCADHN O=C(NCC(F)(F)F)[C@@H]1CCCCN1 ZINC000019516230 182122882 /nfs/dbraw/zinc/12/28/82/182122882.db2.gz IHJXOROSFMBEQG-LURJTMIESA-N 0 3 210.199 0.807 20 0 BCADHN O=C(NC1CCN(CCCO)CC1)C1CCC1 ZINC000363193604 182115570 /nfs/dbraw/zinc/11/55/70/182115570.db2.gz XYZSRUKZKMZKCM-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN CCOC(C)(C)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000633316230 373469181 /nfs/dbraw/zinc/46/91/81/373469181.db2.gz CUMWNDIIBZNSRV-WDEREUQCSA-N 0 3 240.347 0.964 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)c3ncccc3N)C[C@@H]21 ZINC000633319305 373472987 /nfs/dbraw/zinc/47/29/87/373472987.db2.gz ZMCPUAHLRPLTNK-KOLCDFICSA-N 0 3 246.314 0.440 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)C3CSC3)C[C@@H]21 ZINC000633319288 373473420 /nfs/dbraw/zinc/47/34/20/373473420.db2.gz YXUCFVWXZGOLDQ-SCZZXKLOSA-N 0 3 226.345 0.512 20 0 BCADHN Cc1nocc1CNC(=O)C1CCN(C)CC1 ZINC000633275139 373434621 /nfs/dbraw/zinc/43/46/21/373434621.db2.gz KLUNACLAJIWIHI-UHFFFAOYSA-N 0 3 237.303 0.941 20 0 BCADHN CC[C@@H](CO)NC(=O)[C@H](CC)N(C)C ZINC000180888876 205661251 /nfs/dbraw/zinc/66/12/51/205661251.db2.gz STCWVJKSBDODAT-IUCAKERBSA-N 0 3 202.298 0.214 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2ncccc2OC)C1 ZINC000633438800 373549483 /nfs/dbraw/zinc/54/94/83/373549483.db2.gz MAVXWRFEJNBFOA-SNVBAGLBSA-N 0 3 249.314 0.914 20 0 BCADHN CN(C)C1(CNC(=O)C2CSC2)CC1 ZINC000633447967 373557265 /nfs/dbraw/zinc/55/72/65/373557265.db2.gz ZUIGVEPYIVJIRY-UHFFFAOYSA-N 0 3 214.334 0.560 20 0 BCADHN CC[C@@H]1CN(C(=O)c2ncccc2N)C[C@H](C)N1 ZINC000633656854 373664428 /nfs/dbraw/zinc/66/44/28/373664428.db2.gz SYIHCOGZHBOHKP-VHSXEESVSA-N 0 3 248.330 0.876 20 0 BCADHN O=C(NCCCCO)[C@@H]1CCCN1C1CC1 ZINC000331775126 182163906 /nfs/dbraw/zinc/16/39/06/182163906.db2.gz OFFBJIPFQUCVNV-NSHDSACASA-N 0 3 226.320 0.502 20 0 BCADHN O=C(NCCCF)N1CCN2CCC1CC2 ZINC000336332078 182166189 /nfs/dbraw/zinc/16/61/89/182166189.db2.gz DXLNVDONEIQNHG-UHFFFAOYSA-N 0 3 229.299 0.836 20 0 BCADHN CC[C@H](C(=O)N[C@H]1C[C@@H](CO)C1)N(C)C ZINC000633839058 373803245 /nfs/dbraw/zinc/80/32/45/373803245.db2.gz VTXDDJQHMGKRRX-KXUCPTDWSA-N 0 3 214.309 0.214 20 0 BCADHN O=C(NCCCn1ccnc1)[C@]1(F)CCNC1 ZINC000378209633 182178311 /nfs/dbraw/zinc/17/83/11/182178311.db2.gz KNAAKHMQSYOAFM-NSHDSACASA-N 0 3 240.282 0.091 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H](CO)C1 ZINC000633838179 373799736 /nfs/dbraw/zinc/79/97/36/373799736.db2.gz DRRLGHWKTOBPBC-BKUVIOGVSA-N 0 3 240.347 0.746 20 0 BCADHN CCCN(C)CC(=O)NCC[C@H](O)C(F)F ZINC000634000138 373885323 /nfs/dbraw/zinc/88/53/23/373885323.db2.gz NMLWICFHWWEXJU-QMMMGPOBSA-N 0 3 238.278 0.461 20 0 BCADHN O=C(NCCNCc1cc[nH]c1)C1CC1 ZINC000129977989 182188470 /nfs/dbraw/zinc/18/84/70/182188470.db2.gz IUQUWSSESOINBP-UHFFFAOYSA-N 0 3 207.277 0.631 20 0 BCADHN O=C(NCCN1CCCCC1)[C@H]1CSCN1 ZINC000049575450 182185320 /nfs/dbraw/zinc/18/53/20/182185320.db2.gz PKJXDHRDLUYSOZ-SNVBAGLBSA-N 0 3 243.376 0.251 20 0 BCADHN O=C(NCCN1CCCC1)c1cc(F)c[nH]1 ZINC000338616027 182185715 /nfs/dbraw/zinc/18/57/15/182185715.db2.gz ZEYQHDDSVMOFPB-UHFFFAOYSA-N 0 3 225.267 0.979 20 0 BCADHN O=C(NCCc1ccccn1)[C@@H]1CCCCN1 ZINC000019473850 182206415 /nfs/dbraw/zinc/20/64/15/182206415.db2.gz RHXFXONXRYUDMM-LBPRGKRZSA-N 0 3 233.315 0.882 20 0 BCADHN CO[C@H](C)[C@@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000634142930 373972101 /nfs/dbraw/zinc/97/21/01/373972101.db2.gz MUFCCBLLKLHCNW-MXWKQRLJSA-N 0 3 243.351 0.803 20 0 BCADHN CO[C@@H](C)[C@@H](C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000634142931 373972359 /nfs/dbraw/zinc/97/23/59/373972359.db2.gz MUFCCBLLKLHCNW-OUAUKWLOSA-N 0 3 243.351 0.803 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NC1COC1 ZINC000634254864 374056244 /nfs/dbraw/zinc/05/62/44/374056244.db2.gz GKMOSIFKTWHPFA-JTQLQIEISA-N 0 3 212.293 0.376 20 0 BCADHN O=C(NC[C@@H](O)C(F)F)C12CCCN1CCC2 ZINC000356348388 182218583 /nfs/dbraw/zinc/21/85/83/182218583.db2.gz UURDMJSPAWQIMF-MRVPVSSYSA-N 0 3 248.273 0.357 20 0 BCADHN CC[C@H](C(=O)NC1COC1)N(CC)CC ZINC000634255392 374058670 /nfs/dbraw/zinc/05/86/70/374058670.db2.gz HDCRLKWUKPWMNB-SNVBAGLBSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](C(=O)NC1COC1)N1CCCCCC1 ZINC000634256057 374060848 /nfs/dbraw/zinc/06/08/48/374060848.db2.gz IUCGCTQWAWDTDF-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NC1COC1 ZINC000634256722 374062060 /nfs/dbraw/zinc/06/20/60/374062060.db2.gz UXTVKTOVLBRCQP-DTORHVGOSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC000173922034 374116290 /nfs/dbraw/zinc/11/62/90/374116290.db2.gz UQWYYTFYGCYHLK-SNVBAGLBSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@H](CNC(=O)[C@]1(N)CC1(F)F)N1CCCC1 ZINC000634275132 374088000 /nfs/dbraw/zinc/08/80/00/374088000.db2.gz DCDVONHHEAZCIW-PSASIEDQSA-N 0 3 247.289 0.323 20 0 BCADHN Cc1cccc(CN2CC[C@@H](NC(=O)CO)C2)c1 ZINC000634276121 374088451 /nfs/dbraw/zinc/08/84/51/374088451.db2.gz WZIWBNUGDGESHA-CYBMUJFWSA-N 0 3 248.326 0.678 20 0 BCADHN CNC(=O)NC(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000173810658 374093761 /nfs/dbraw/zinc/09/37/61/374093761.db2.gz OIHLVVHKRLEFJV-UWVGGRQHSA-N 0 3 239.319 0.707 20 0 BCADHN O=C(NC[C@H]1CCN(C2CC2)C1)c1cnccn1 ZINC000078964425 182242570 /nfs/dbraw/zinc/24/25/70/182242570.db2.gz NVVUDDKOTOALDH-SNVBAGLBSA-N 0 3 246.314 0.691 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1CCCn2nccc21 ZINC000634308841 374152545 /nfs/dbraw/zinc/15/25/45/374152545.db2.gz GCKRSWHYERMUFO-BDAKNGLRSA-N 0 3 222.292 0.572 20 0 BCADHN O=C(NCc1cccc(CO)c1)[C@H]1CCCCN1 ZINC000178111824 182252575 /nfs/dbraw/zinc/25/25/75/182252575.db2.gz JRUUUYYIGRFKMM-CYBMUJFWSA-N 0 3 248.326 0.937 20 0 BCADHN O=C(NCc1ccccn1)[C@]1(F)CCNC1 ZINC000378184702 182259927 /nfs/dbraw/zinc/25/99/27/182259927.db2.gz UAJVDLAJOUJEPU-NSHDSACASA-N 0 3 223.251 0.399 20 0 BCADHN CN1CCC(C(=O)N[C@H]2CCC[C@@H]2O)CC1 ZINC000634413012 374242636 /nfs/dbraw/zinc/24/26/36/374242636.db2.gz LWHAGBCWFFHWMK-QWRGUYRKSA-N 0 3 226.320 0.358 20 0 BCADHN O=C(NCc1ncc[nH]1)[C@H](C1CC1)N1CCCC1 ZINC000124121412 182273930 /nfs/dbraw/zinc/27/39/30/182273930.db2.gz BWAURJRQGTTXKF-LBPRGKRZSA-N 0 3 248.330 0.900 20 0 BCADHN O=C(NCc1ncc[nH]1)[C@@H]1CCCCN1 ZINC000070646687 182273961 /nfs/dbraw/zinc/27/39/61/182273961.db2.gz HBDWYKHFSAVMEX-QMMMGPOBSA-N 0 3 208.265 0.168 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H]1CCCCC(=O)N1 ZINC000194252593 206004837 /nfs/dbraw/zinc/00/48/37/206004837.db2.gz WQRAHMBARUTXLX-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN O=C(NN1CCCCC1=O)[C@H]1CCCCCN1 ZINC000364486752 182276992 /nfs/dbraw/zinc/27/69/92/182276992.db2.gz PPBGBJWOGJKMTK-SNVBAGLBSA-N 0 3 239.319 0.562 20 0 BCADHN NC(=O)Nc1cccc(CNC(=O)[C@H]2C[C@H]2N)c1 ZINC000424091480 206028948 /nfs/dbraw/zinc/02/89/48/206028948.db2.gz OHIIPXGEEXVUTB-VHSXEESVSA-N 0 3 248.286 0.141 20 0 BCADHN COC(=O)[C@H](CNC(=O)[C@@H]1C[C@@H]1N)CC(C)C ZINC000424125162 206031888 /nfs/dbraw/zinc/03/18/88/206031888.db2.gz NJCTUBVWDOLRSI-AEJSXWLSSA-N 0 3 242.319 0.285 20 0 BCADHN C[C@@H]1SCCN(C(=O)[C@@H]2C[C@@H]2N)[C@H]1C ZINC000424130596 206032168 /nfs/dbraw/zinc/03/21/68/206032168.db2.gz UAKTVZLPULRLDL-MAUMQABQSA-N 0 3 214.334 0.686 20 0 BCADHN O=C(COC1CNC1)NC[C@@H]1C[C@H]1C1CCC1 ZINC000424202286 206033980 /nfs/dbraw/zinc/03/39/80/206033980.db2.gz ABZRAUHMLNHOKC-JQWIXIFHSA-N 0 3 238.331 0.527 20 0 BCADHN CCN1C[C@H](C)N(C[C@H](C)O)C[C@@H]1C ZINC000337185816 170033810 /nfs/dbraw/zinc/03/38/10/170033810.db2.gz PBNIKSKSKSIPIW-DCAQKATOSA-N 0 3 200.326 0.782 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1CSCN1 ZINC000251330702 182302980 /nfs/dbraw/zinc/30/29/80/182302980.db2.gz PCVGNOBEAWLYDW-PSASIEDQSA-N 0 3 241.360 0.002 20 0 BCADHN COCCNCC(=O)N[C@H](C)C[C@@H]1CCCO1 ZINC000154662066 206064937 /nfs/dbraw/zinc/06/49/37/206064937.db2.gz OCRHUSGLNNMJLS-MNOVXSKESA-N 0 3 244.335 0.296 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NCC(F)(F)F ZINC000194429420 206091802 /nfs/dbraw/zinc/09/18/02/206091802.db2.gz QPABXKNAMHGVIZ-SSDOTTSWSA-N 0 3 239.241 0.942 20 0 BCADHN CCN(CCCO)C[C@](C)(O)C(C)=O ZINC000450451412 206103370 /nfs/dbraw/zinc/10/33/70/206103370.db2.gz FJYPOOHGYMGRMC-JTQLQIEISA-N 0 3 203.282 0.031 20 0 BCADHN CCn1nncc1CN1CCN(C)[C@H](C)[C@@H]1C ZINC000459465662 206126984 /nfs/dbraw/zinc/12/69/84/206126984.db2.gz IYYVBXLAQXISKZ-MNOVXSKESA-N 0 3 237.351 0.822 20 0 BCADHN O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1CSCN1 ZINC000251330707 182334756 /nfs/dbraw/zinc/33/47/56/182334756.db2.gz PCVGNOBEAWLYDW-WCBMZHEXSA-N 0 3 241.360 0.002 20 0 BCADHN O=C(N[C@H]1CCOC1)N1CCN2CCC1CC2 ZINC000341369789 182337622 /nfs/dbraw/zinc/33/76/22/182337622.db2.gz PBQBDYCYYHVXCU-JTQLQIEISA-N 0 3 239.319 0.265 20 0 BCADHN CCn1nncc1CN1CCN(C)[C@@H](C)[C@H]1C ZINC000459465667 206127727 /nfs/dbraw/zinc/12/77/27/206127727.db2.gz IYYVBXLAQXISKZ-WDEREUQCSA-N 0 3 237.351 0.822 20 0 BCADHN CCN1C[C@@H](C)N(C[C@H](C)O)C[C@@H]1C ZINC000459374894 206125626 /nfs/dbraw/zinc/12/56/26/206125626.db2.gz PBNIKSKSKSIPIW-AXFHLTTASA-N 0 3 200.326 0.782 20 0 BCADHN C[C@@H](O)CN(C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459497540 206131739 /nfs/dbraw/zinc/13/17/39/206131739.db2.gz JVXIVEFJXSKRKD-MRVPVSSYSA-N 0 3 237.303 0.872 20 0 BCADHN Cc1cccc(CCN2C[C@@H](O)[C@H](CO)C2)c1 ZINC000459700744 206136914 /nfs/dbraw/zinc/13/69/14/206136914.db2.gz KEJDFMLYUNHCAY-UONOGXRCSA-N 0 3 235.327 0.823 20 0 BCADHN O=C(Nc1ccc2[nH]ccc2c1)[C@@H]1C[C@H](O)CN1 ZINC000040809808 182362345 /nfs/dbraw/zinc/36/23/45/182362345.db2.gz TTWGFGKRGRXUDR-JQWIXIFHSA-N 0 3 245.282 0.829 20 0 BCADHN O=C(Nc1ccc2[nH]ccc2c1)[C@H]1C[C@@H](O)CN1 ZINC000040809811 182363184 /nfs/dbraw/zinc/36/31/84/182363184.db2.gz TTWGFGKRGRXUDR-ZYHUDNBSSA-N 0 3 245.282 0.829 20 0 BCADHN O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCN1 ZINC000336567395 182363546 /nfs/dbraw/zinc/36/35/46/182363546.db2.gz LPYIOECZSJEMAK-SNVBAGLBSA-N 0 3 218.256 0.922 20 0 BCADHN O=C(Nc1ccccc1)[C@H]1C[C@H](O)CN1 ZINC000020433742 182376747 /nfs/dbraw/zinc/37/67/47/182376747.db2.gz BQSYJWODLFULLH-VHSXEESVSA-N 0 3 206.245 0.348 20 0 BCADHN O=C(Nc1cccc(F)c1F)[C@H]1C[C@@H](O)CN1 ZINC000040231013 182371289 /nfs/dbraw/zinc/37/12/89/182371289.db2.gz LDPGQMLNJCCZRA-HZGVNTEJSA-N 0 3 242.225 0.626 20 0 BCADHN O=C(Nc1ccccc1F)[C@H]1C[C@H](O)CN1 ZINC000020434324 182378865 /nfs/dbraw/zinc/37/88/65/182378865.db2.gz BZYIOXBEVHMQLU-OIBJUYFYSA-N 0 3 224.235 0.487 20 0 BCADHN O=C(Nc1ccccc1[O-])[C@H]1C[C@H](O)C[NH2+]1 ZINC000070609688 182380205 /nfs/dbraw/zinc/38/02/05/182380205.db2.gz ORTRCOBYFYLSHQ-IONNQARKSA-N 0 3 222.244 0.054 20 0 BCADHN O=C(Nc1ccccc1O)[C@H]1C[C@H](O)CN1 ZINC000070609688 182380206 /nfs/dbraw/zinc/38/02/06/182380206.db2.gz ORTRCOBYFYLSHQ-IONNQARKSA-N 0 3 222.244 0.054 20 0 BCADHN O=C(Nc1ccccn1)[C@H]1CCCN(CCO)C1 ZINC000363347510 182382084 /nfs/dbraw/zinc/38/20/84/182382084.db2.gz IOHBEFMCWVIZAJ-NSHDSACASA-N 0 3 249.314 0.724 20 0 BCADHN O=C(Nc1cnc2c(c1)CNCC2)[C@@H]1CCCO1 ZINC000371442939 182392389 /nfs/dbraw/zinc/39/23/89/182392389.db2.gz MLAZCBKEGCLMJF-LBPRGKRZSA-N 0 3 247.298 0.845 20 0 BCADHN O=C(Nc1nc2ccccc2[nH]1)[C@H]1C[C@H](O)CN1 ZINC000277928481 182398370 /nfs/dbraw/zinc/39/83/70/182398370.db2.gz QJAJBTNXBZNIHJ-OIBJUYFYSA-N 0 3 246.270 0.224 20 0 BCADHN CCOC(=O)CC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000357426470 170196545 /nfs/dbraw/zinc/19/65/45/170196545.db2.gz ZAXCCJRNIVOZFD-NXEZZACHSA-N 0 3 242.319 0.539 20 0 BCADHN CCOC(=O)C1CCN(C[C@H](C)O)CC1 ZINC000037693802 170192940 /nfs/dbraw/zinc/19/29/40/170192940.db2.gz CMXSITMIYDNVPG-VIFPVBQESA-N 0 3 215.293 0.642 20 0 BCADHN O=S1(=O)CC[C@H](N[C@@H]2CCCSC2)C1 ZINC000061570675 182912439 /nfs/dbraw/zinc/91/24/39/182912439.db2.gz VHEPZQHLGURXRM-BDAKNGLRSA-N 0 3 235.374 0.659 20 0 BCADHN CCOCCN(C)[C@@]1(CO)CCOC1 ZINC000359832700 170391018 /nfs/dbraw/zinc/39/10/18/170391018.db2.gz LZVLTVKPCCIDER-SNVBAGLBSA-N 0 3 203.282 0.106 20 0 BCADHN O=c1n2ccccc2nn1CCN1CCCCC1 ZINC000131364249 183008210 /nfs/dbraw/zinc/00/82/10/183008210.db2.gz KKRPBENCDWSPSD-UHFFFAOYSA-N 0 3 246.314 0.982 20 0 BCADHN OCCCC1CCN([C@H]2COC[C@H]2O)CC1 ZINC000361352920 183044215 /nfs/dbraw/zinc/04/42/15/183044215.db2.gz GGRGDRIHSXNQRY-NWDGAFQWSA-N 0 3 229.320 0.231 20 0 BCADHN OCC(CO)NCc1cc2ccc(F)cc2[nH]1 ZINC000362926240 183033314 /nfs/dbraw/zinc/03/33/14/183033314.db2.gz YARHSUPMOPGMKX-UHFFFAOYSA-N 0 3 238.262 0.750 20 0 BCADHN OCC(CO)NCc1ccc(Cl)s1 ZINC000083692553 183033977 /nfs/dbraw/zinc/03/39/77/183033977.db2.gz XHCJLLPXZWYYEY-UHFFFAOYSA-N 0 3 221.709 0.844 20 0 BCADHN OCCCCN1CCOC2(CCOCC2)C1 ZINC000305152987 183051744 /nfs/dbraw/zinc/05/17/44/183051744.db2.gz PICGXYGZILPBNA-UHFFFAOYSA-N 0 3 229.320 0.640 20 0 BCADHN OCCCN1CCC[C@H](n2cccn2)C1 ZINC000360253572 183055160 /nfs/dbraw/zinc/05/51/60/183055160.db2.gz ITRYQMAZGFQLTF-NSHDSACASA-N 0 3 209.293 0.902 20 0 BCADHN OCCCN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109758552 183055187 /nfs/dbraw/zinc/05/51/87/183055187.db2.gz MXFMFBDMPIBSRI-YUMQZZPRSA-N 0 3 227.226 0.756 20 0 BCADHN OCCCN1CCC(c2ncc[nH]2)CC1 ZINC000266766596 183055453 /nfs/dbraw/zinc/05/54/53/183055453.db2.gz RFZATEVYRUSJTB-UHFFFAOYSA-N 0 3 209.293 0.972 20 0 BCADHN O=c1[nH]ccc2c1CN(CCCO)CC2 ZINC000276983889 183057779 /nfs/dbraw/zinc/05/77/79/183057779.db2.gz TVBHVOZIQHOXQI-UHFFFAOYSA-N 0 3 208.261 0.528 20 0 BCADHN OCCCSCCNCc1ccc(CO)o1 ZINC000164522481 183062194 /nfs/dbraw/zinc/06/21/94/183062194.db2.gz CUOVHFDHWOWUIH-UHFFFAOYSA-N 0 3 245.344 0.977 20 0 BCADHN OCCN(CCO)CCOc1cccc(F)c1 ZINC000303984540 183065708 /nfs/dbraw/zinc/06/57/08/183065708.db2.gz SEHIXRVBQBXBLL-UHFFFAOYSA-N 0 3 243.278 0.491 20 0 BCADHN OCCN1CCC(O[C@@H]2CCOC2)CC1 ZINC000336653488 183072046 /nfs/dbraw/zinc/07/20/46/183072046.db2.gz YOUFLIFQYNERGQ-LLVKDONJSA-N 0 3 215.293 0.249 20 0 BCADHN OCCN1CCN(C2CCCCC2)CC1 ZINC000035577859 183074995 /nfs/dbraw/zinc/07/49/95/183074995.db2.gz WCLHKKSGWJWEGT-UHFFFAOYSA-N 0 3 212.337 0.929 20 0 BCADHN OCCOCCN1CCC(C(F)F)CC1 ZINC000308733255 183083036 /nfs/dbraw/zinc/08/30/36/183083036.db2.gz BLNKHNOMWJIFGN-UHFFFAOYSA-N 0 3 223.263 0.972 20 0 BCADHN [O-]c1ccc(C[NH2+]CCOCCO)cc1F ZINC000083356602 183085202 /nfs/dbraw/zinc/08/52/02/183085202.db2.gz OUCPZMWRYPFOGV-UHFFFAOYSA-N 0 3 229.251 0.630 20 0 BCADHN OCCOCCN[C@@H]1CCCc2n[nH]cc21 ZINC000309528886 183086421 /nfs/dbraw/zinc/08/64/21/183086421.db2.gz BLJNJTLOLYDSJR-SNVBAGLBSA-N 0 3 225.292 0.386 20 0 BCADHN OCC[C@@H](NCCn1cncn1)c1ccccc1 ZINC000341230212 183091836 /nfs/dbraw/zinc/09/18/36/183091836.db2.gz ROKOVPYSCALDJL-CYBMUJFWSA-N 0 3 246.314 0.991 20 0 BCADHN OCC[C@@]1(NCc2cc[nH]c2)CCOC1 ZINC000278541032 183094290 /nfs/dbraw/zinc/09/42/90/183094290.db2.gz XGWKHADWESRXTI-LLVKDONJSA-N 0 3 210.277 0.646 20 0 BCADHN OCC[C@@]1(NCc2ccncc2)CCOC1 ZINC000278530478 183095283 /nfs/dbraw/zinc/09/52/83/183095283.db2.gz UZKORWHTRFAGTL-GFCCVEGCSA-N 0 3 222.288 0.713 20 0 BCADHN CCCC[C@H](N)C(=O)NCCC(=O)OC ZINC000040859739 169006484 /nfs/dbraw/zinc/00/64/84/169006484.db2.gz IXITYAMEVUZKAY-QMMMGPOBSA-N 0 3 216.281 0.183 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@H]1CCOC1 ZINC000037739182 169007383 /nfs/dbraw/zinc/00/73/83/169007383.db2.gz MDLDBKUVBVNPBW-ZJUUUORDSA-N 0 3 214.309 0.657 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@H](C)c1nncn1C ZINC000037620136 169007690 /nfs/dbraw/zinc/00/76/90/169007690.db2.gz SAHMEDHAOUEYEV-BDAKNGLRSA-N 0 3 239.323 0.510 20 0 BCADHN OC[C@@H]1CCCN1CCN1CCCOCC1 ZINC000361298679 183120653 /nfs/dbraw/zinc/12/06/53/183120653.db2.gz YLNGQOMXZNQTTA-LBPRGKRZSA-N 0 3 228.336 0.165 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@H](C)COC ZINC000041679491 169008180 /nfs/dbraw/zinc/00/81/80/169008180.db2.gz YWNJIYIXYRMDKU-UWVGGRQHSA-N 0 3 216.325 0.903 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@H](C)C(=O)NCC ZINC000037480701 169008237 /nfs/dbraw/zinc/00/82/37/169008237.db2.gz LSPCIEMHUNQYQL-BDAKNGLRSA-N 0 3 229.324 0.145 20 0 BCADHN OC[C@@H](NCC1=CCCOC1)[C@H]1CCCO1 ZINC000309556424 183108334 /nfs/dbraw/zinc/10/83/34/183108334.db2.gz HSOCEBUQVTUMEL-VXGBXAGGSA-N 0 3 227.304 0.463 20 0 BCADHN OC[C@@H](O)CNCc1c[nH]c(-c2ccccc2)n1 ZINC000276823757 183110678 /nfs/dbraw/zinc/11/06/78/183110678.db2.gz WPBWPFNELSDDPN-LBPRGKRZSA-N 0 3 247.298 0.520 20 0 BCADHN OC[C@@H](O)CNCc1cnc(-c2ccccc2)[nH]1 ZINC000276823757 183110681 /nfs/dbraw/zinc/11/06/81/183110681.db2.gz WPBWPFNELSDDPN-LBPRGKRZSA-N 0 3 247.298 0.520 20 0 BCADHN OC[C@@H](O)CNCc1ccc2ncccc2c1 ZINC000090282437 183110895 /nfs/dbraw/zinc/11/08/95/183110895.db2.gz OEUDBXMZQPCFCR-LBPRGKRZSA-N 0 3 232.283 0.678 20 0 BCADHN OC[C@@H](O)CNCc1ccc2occc2c1 ZINC000336673329 183111329 /nfs/dbraw/zinc/11/13/29/183111329.db2.gz JSWQXZYAYYGPGY-NSHDSACASA-N 0 3 221.256 0.876 20 0 BCADHN OC[C@H]1[C@@H]2CN(C[C@H](O)c3ccccc3)C[C@H]12 ZINC000366394514 183133031 /nfs/dbraw/zinc/13/30/31/183133031.db2.gz DZDILRNTFQYLFC-DGAVXFQQSA-N 0 3 233.311 0.890 20 0 BCADHN CCCCc1cc(NC(=O)CNC)n[nH]1 ZINC000193128596 169018620 /nfs/dbraw/zinc/01/86/20/169018620.db2.gz ACBHABCJIWDPHS-UHFFFAOYSA-N 0 3 210.281 0.910 20 0 BCADHN OC[C@@]1(F)CCN(CCCn2ccnc2)C1 ZINC000338594104 183134352 /nfs/dbraw/zinc/13/43/52/183134352.db2.gz NDYWGMPUKOTKIU-LLVKDONJSA-N 0 3 227.283 0.680 20 0 BCADHN OC[C@@]1(F)CCN(CC[C@@H]2CCOC2)C1 ZINC000338997345 183134500 /nfs/dbraw/zinc/13/45/00/183134500.db2.gz NVXRJTNPJBGEEA-GHMZBOCLSA-N 0 3 217.284 0.819 20 0 BCADHN OC[C@H](CNCc1cc[nH]n1)[C@@H]1CCOC1 ZINC000309487752 183137118 /nfs/dbraw/zinc/13/71/18/183137118.db2.gz HCZUJPLAKMRJAJ-ZJUUUORDSA-N 0 3 225.292 0.144 20 0 BCADHN OC[C@H](NCCOC1CCC1)[C@@H]1CCCO1 ZINC000309630751 183139490 /nfs/dbraw/zinc/13/94/90/183139490.db2.gz KHQLTAHRWFRZEF-RYUDHWBXSA-N 0 3 229.320 0.685 20 0 BCADHN OC[C@H](NCCOCC(F)F)[C@H]1CCCO1 ZINC000336710120 183139739 /nfs/dbraw/zinc/13/97/39/183139739.db2.gz RMVVHRYRPZMZLE-DTWKUNHWSA-N 0 3 239.262 0.398 20 0 BCADHN OC[C@H](NC[C@@H](O)C(F)(F)F)[C@H]1CCCO1 ZINC000336671890 183140281 /nfs/dbraw/zinc/14/02/81/183140281.db2.gz INBFMMRJSYDFBU-XLPZGREQSA-N 0 3 243.225 0.039 20 0 BCADHN OC[C@H](O)CNCc1cc(Cl)cs1 ZINC000086333088 183142566 /nfs/dbraw/zinc/14/25/66/183142566.db2.gz QKOCIZVKAUXCNI-SSDOTTSWSA-N 0 3 221.709 0.844 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1CCc1ccccc1F ZINC000274424411 183130619 /nfs/dbraw/zinc/13/06/19/183130619.db2.gz MARSTNZMHHBNJD-NWDGAFQWSA-N 0 3 239.290 0.796 20 0 BCADHN O=C1NCC[C@H]1N1CCC[C@H](CO)CC1 ZINC000328863429 183151237 /nfs/dbraw/zinc/15/12/37/183151237.db2.gz MHWPGKLTSVKFTG-VHSXEESVSA-N 0 3 212.293 0.810 20 0 BCADHN OC[C@H]1C[C@H](O)CN1CCc1ccccc1F ZINC000274424408 183156830 /nfs/dbraw/zinc/15/68/30/183156830.db2.gz MARSTNZMHHBNJD-NEPJUHHUSA-N 0 3 239.290 0.796 20 0 BCADHN CCCN(C(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000333622381 169043481 /nfs/dbraw/zinc/04/34/81/169043481.db2.gz ZRKPGEXKGOBSTR-NSHDSACASA-N 0 3 241.335 0.559 20 0 BCADHN CCCN(C)CC(=O)N1CCN(C2CC2)CC1 ZINC000359272250 169067671 /nfs/dbraw/zinc/06/76/71/169067671.db2.gz ABOFPWNFCWCUMN-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@H](O)C1 ZINC000359249902 169069051 /nfs/dbraw/zinc/06/90/51/169069051.db2.gz YAGYQQUBRKPMKV-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN CCCN(C)CC(=O)N1CCOCC12CC2 ZINC000338687769 169069274 /nfs/dbraw/zinc/06/92/74/169069274.db2.gz IFHYJVNWKOSJGL-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN CCCN(C)CC(=O)NC[C@@]1(OC)CCOC1 ZINC000359791242 169069900 /nfs/dbraw/zinc/06/99/00/169069900.db2.gz IRWQCIPEIPKYNN-LBPRGKRZSA-N 0 3 244.335 0.250 20 0 BCADHN CCCN(C)CC(=O)NCCOCCOC ZINC000358581419 169070059 /nfs/dbraw/zinc/07/00/59/169070059.db2.gz DAIUJAUXXGCKCK-UHFFFAOYSA-N 0 3 232.324 0.107 20 0 BCADHN CCCN(C)CC(=O)NCCn1cccn1 ZINC000359329068 169070383 /nfs/dbraw/zinc/07/03/83/169070383.db2.gz IJDFNGDCTWBYQG-UHFFFAOYSA-N 0 3 224.308 0.341 20 0 BCADHN CCCN(C)CC(=O)NCCN1CCC1 ZINC000337630338 169071285 /nfs/dbraw/zinc/07/12/85/169071285.db2.gz UXCGPDNQZRCVKH-UHFFFAOYSA-N 0 3 213.325 0.150 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000357121847 169071641 /nfs/dbraw/zinc/07/16/41/169071641.db2.gz PXVHNKGGXDJYQJ-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](CC)OC ZINC000359691696 169071846 /nfs/dbraw/zinc/07/18/46/169071846.db2.gz JSPPDHIZNPMWDX-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](CC)OC ZINC000359691695 169073090 /nfs/dbraw/zinc/07/30/90/169073090.db2.gz JSPPDHIZNPMWDX-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)CCO ZINC000340017013 169073957 /nfs/dbraw/zinc/07/39/57/169073957.db2.gz QZYBONHXLYXNQM-VIFPVBQESA-N 0 3 202.298 0.215 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000331004712 169074008 /nfs/dbraw/zinc/07/40/08/169074008.db2.gz LGPUXZLWOXZYPK-LLVKDONJSA-N 0 3 241.335 0.065 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](O)C(F)F ZINC000355168089 169074056 /nfs/dbraw/zinc/07/40/56/169074056.db2.gz SAKOGOJBZXYEDH-ZETCQYMHSA-N 0 3 224.251 0.070 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CCO)C(C)C ZINC000339692999 169074099 /nfs/dbraw/zinc/07/40/99/169074099.db2.gz KLHVIUUNURQDQY-NSHDSACASA-N 0 3 230.352 0.851 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CCCC[C@H]1CO ZINC000330486053 169075060 /nfs/dbraw/zinc/07/50/60/169075060.db2.gz BTHIPVFTVNFBJR-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)N[C@H](CO)CC1CCC1 ZINC000359345846 169076589 /nfs/dbraw/zinc/07/65/89/169076589.db2.gz QOKPMFVFADYLIZ-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)N1CCC(O)CC1 ZINC000304358222 169064283 /nfs/dbraw/zinc/06/42/83/169064283.db2.gz OFENZCDBAILHCL-UHFFFAOYSA-N 0 3 214.309 0.312 20 0 BCADHN CCCN(C)CC(=O)N(C)CCN1CCCC1 ZINC000359257556 169064481 /nfs/dbraw/zinc/06/44/81/169064481.db2.gz BMLZCDOFMMLECQ-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CCCN(C)CC(=O)N(C)[C@@H](C)C(=O)OCC ZINC000354368296 169064821 /nfs/dbraw/zinc/06/48/21/169064821.db2.gz UNRXZJKEHAOHRI-JTQLQIEISA-N 0 3 244.335 0.738 20 0 BCADHN CCCN(C)CC(=O)N(CC)CCC(=O)OC ZINC000355597476 169066258 /nfs/dbraw/zinc/06/62/58/169066258.db2.gz UNPTWKNIAWMOGL-UHFFFAOYSA-N 0 3 244.335 0.740 20 0 BCADHN CCCN(C)CC(=O)N1CCC[C@H](O)CC1 ZINC000341437046 169066663 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ZINC000363488711 169193165 /nfs/dbraw/zinc/19/31/65/169193165.db2.gz LDEDLEMBQCYCOL-LLVKDONJSA-N 0 3 225.336 0.293 20 0 BCADHN CCCN1CCCN([C@H](CC)C(N)=O)CC1 ZINC000363186313 169193202 /nfs/dbraw/zinc/19/32/02/169193202.db2.gz ODJFYBWRCZKBOZ-LLVKDONJSA-N 0 3 227.352 0.668 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)CO ZINC000330702544 169194638 /nfs/dbraw/zinc/19/46/38/169194638.db2.gz ZSWGCOXJBMTYKF-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@@H](C)[C@H](C)CO ZINC000330474703 169194725 /nfs/dbraw/zinc/19/47/25/169194725.db2.gz SCPJYEIFLOZVNN-GRYCIOLGSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CCC[C@@H](N2CCNC2=O)C1 ZINC000363374964 169195187 /nfs/dbraw/zinc/19/51/87/169195187.db2.gz KOMSYXKMFXOFLA-SNVBAGLBSA-N 0 3 211.309 0.886 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CC(N(C)C)C1 ZINC000342134040 169195797 /nfs/dbraw/zinc/19/57/97/169195797.db2.gz SHHXWKKOQOWABS-GFCCVEGCSA-N 0 3 239.363 0.633 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@H]1CCOC1 ZINC000337485718 169196154 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/nfs/dbraw/zinc/20/06/08/169200608.db2.gz NFTHGYFLUOINTQ-VIFPVBQESA-N 0 3 237.307 0.295 20 0 BCADHN CCC[N@H+]1CCC[C@H]1C(=O)NCc1nnc[n-]1 ZINC000330708466 169200609 /nfs/dbraw/zinc/20/06/09/169200609.db2.gz NFTHGYFLUOINTQ-VIFPVBQESA-N 0 3 237.307 0.295 20 0 BCADHN O=c1[nH]ccc2c1CN(CCn1cncn1)CC2 ZINC000277014411 183309436 /nfs/dbraw/zinc/30/94/36/183309436.db2.gz YUCMRFASYUCGLX-UHFFFAOYSA-N 0 3 245.286 0.437 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCO[C@@H]1C ZINC000119876571 169228979 /nfs/dbraw/zinc/22/89/79/169228979.db2.gz GJJFOVIPTBFVFN-RKDXNWHRSA-N 0 3 200.282 0.280 20 0 BCADHN CCCNC(=O)CN[C@H]1CCC(=O)NC1(C)C ZINC000338599411 169229471 /nfs/dbraw/zinc/22/94/71/169229471.db2.gz PIXVCDQVNRRSCJ-VIFPVBQESA-N 0 3 241.335 0.159 20 0 BCADHN CCCNC(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000035735864 169229509 /nfs/dbraw/zinc/22/95/09/169229509.db2.gz BOHANRNRGNEFEC-ZJUUUORDSA-N 0 3 214.309 0.670 20 0 BCADHN CCCNC(=O)CN[C@@H]1CCOC1(C)C ZINC000328465574 169229831 /nfs/dbraw/zinc/22/98/31/169229831.db2.gz 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BCADHN CCCNC(=O)CN1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000375031643 169222411 /nfs/dbraw/zinc/22/24/11/169222411.db2.gz OTYOUMANEJQTEC-RYUDHWBXSA-N 0 3 239.363 0.539 20 0 BCADHN CCCNC(=O)CN1CC[C@H]2CCN(C)[C@H]2C1 ZINC000375031641 169222670 /nfs/dbraw/zinc/22/26/70/169222670.db2.gz OTYOUMANEJQTEC-NEPJUHHUSA-N 0 3 239.363 0.539 20 0 BCADHN CCCNC(=O)[C@@H](C)N(CCO)CC1CC1 ZINC000352490340 169240915 /nfs/dbraw/zinc/24/09/15/169240915.db2.gz ILUOXIKRDMNXMM-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CCCNC(=O)[C@H](C)N(C)CCCCO ZINC000349948574 169244908 /nfs/dbraw/zinc/24/49/08/169244908.db2.gz WNMNZXBGPYUNDH-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN CCCNC(=O)[C@H](C)N1CCC[C@H](CO)CC1 ZINC000339755312 169245918 /nfs/dbraw/zinc/24/59/18/169245918.db2.gz XJBMGWUWXSCCNH-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CCCNC(=O)[C@H](C)N1CCC[C@@H](CO)CC1 ZINC000339755311 169246336 /nfs/dbraw/zinc/24/63/36/169246336.db2.gz XJBMGWUWXSCCNH-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@@H](O)[C@@H](CC)C1 ZINC000341021888 169246734 /nfs/dbraw/zinc/24/67/34/169246734.db2.gz WRJHDTDWTBFUOS-GARJFASQSA-N 0 3 228.336 0.604 20 0 BCADHN CCCOCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000105327979 169303116 /nfs/dbraw/zinc/30/31/16/169303116.db2.gz KOAZJGIJBVFAMT-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCCOCC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000361908112 169303892 /nfs/dbraw/zinc/30/38/92/169303892.db2.gz NBFVPMGWRZEQMD-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCCOCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368644311 169304913 /nfs/dbraw/zinc/30/49/13/169304913.db2.gz CSCBZSIOJRXZDU-IUCAKERBSA-N 0 3 218.272 0.229 20 0 BCADHN CCCS(=O)(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000371506236 169331325 /nfs/dbraw/zinc/33/13/25/169331325.db2.gz PRIBISDJPBYMSQ-MNOVXSKESA-N 0 3 246.376 0.752 20 0 BCADHN CCC[C@@H](C)N(C)CCS(=O)(=O)N(C)C ZINC000336674019 169364931 /nfs/dbraw/zinc/36/49/31/169364931.db2.gz GYKLAQUFFPGIJD-SNVBAGLBSA-N 0 3 236.381 0.998 20 0 BCADHN CCC[C@@H](C(=O)NC[C@H](O)C(F)F)N(C)C ZINC000354770639 169345385 /nfs/dbraw/zinc/34/53/85/169345385.db2.gz JXIRMMDTJPQEHG-YUMQZZPRSA-N 0 3 238.278 0.459 20 0 BCADHN CCC[C@@H](C)CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000245952226 169359034 /nfs/dbraw/zinc/35/90/34/169359034.db2.gz XJEDZFIWMDJWFI-GMTAPVOTSA-N 0 3 228.336 0.997 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCC(OC)CC1 ZINC000037507237 169387917 /nfs/dbraw/zinc/38/79/17/169387917.db2.gz SMYOGRRBQVBELB-SNVBAGLBSA-N 0 3 214.309 0.751 20 0 BCADHN CCC[C@@H](N)C(=O)NC(C)(C)c1noc(C)n1 ZINC000269046513 169388153 /nfs/dbraw/zinc/38/81/53/169388153.db2.gz FURDUJKXZASZCJ-MRVPVSSYSA-N 0 3 240.307 0.857 20 0 BCADHN CCC[C@@H](CC)S(=O)(=O)C(C)C(N)=O ZINC000359169880 169381223 /nfs/dbraw/zinc/38/12/23/169381223.db2.gz NUCAAAWNFRSRFK-HTQZYQBOSA-N 0 3 221.322 0.854 20 0 BCADHN CCC[C@@H](CN[C@H]1CCCS(=O)(=O)C1)OC ZINC000356346828 169385864 /nfs/dbraw/zinc/38/58/64/169385864.db2.gz ZAJYSCNYBHVGGC-QWRGUYRKSA-N 0 3 249.376 0.968 20 0 BCADHN CCC[C@@H](N)C(=O)N(CC)Cc1cnn(C)c1 ZINC000236898575 169386789 /nfs/dbraw/zinc/38/67/89/169386789.db2.gz NBQBUVPLWXAIIK-LLVKDONJSA-N 0 3 238.335 0.896 20 0 BCADHN CCC[C@@H](N)C(=O)NCCC(=O)OC(C)C ZINC000353500724 169389825 /nfs/dbraw/zinc/38/98/25/169389825.db2.gz JSRSGZMZQMFCTI-SECBINFHSA-N 0 3 230.308 0.572 20 0 BCADHN CCC[C@@H](N)C(=O)NC[C@@H](O)C(C)(C)C ZINC000324389343 169389863 /nfs/dbraw/zinc/38/98/63/169389863.db2.gz YNQHZCNJFDPFTA-RKDXNWHRSA-N 0 3 216.325 0.637 20 0 BCADHN CCC[C@@H](N)C(=O)NCCn1cccn1 ZINC000042542448 169389035 /nfs/dbraw/zinc/38/90/35/169389035.db2.gz XVOZCXKDEUBIOG-SECBINFHSA-N 0 3 210.281 0.127 20 0 BCADHN CCC[C@@H](N)C(=O)NCCCn1cccn1 ZINC000157007214 169389055 /nfs/dbraw/zinc/38/90/55/169389055.db2.gz ZDPMQDLNTIKOME-SNVBAGLBSA-N 0 3 224.308 0.517 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H](C)c1ncon1 ZINC000336728746 169391452 /nfs/dbraw/zinc/39/14/52/169391452.db2.gz CQKVTNHICWWDOK-RNFRBKRXSA-N 0 3 212.253 0.374 20 0 BCADHN CCC[C@@H](N)C(=O)Nc1ccnc2ccnn21 ZINC000236791440 169391514 /nfs/dbraw/zinc/39/15/14/169391514.db2.gz FUHKETOAWFVNDN-MRVPVSSYSA-N 0 3 233.275 0.795 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000037508711 169390372 /nfs/dbraw/zinc/39/03/72/169390372.db2.gz QOSBLOKPGIXOJO-ZJUUUORDSA-N 0 3 244.335 0.818 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000236993545 169390941 /nfs/dbraw/zinc/39/09/41/169390941.db2.gz NUMVGMBQSVLWNJ-LDYMZIIASA-N 0 3 238.335 0.893 20 0 BCADHN CCC[C@@H]([NH3+])C(=O)Nc1ncccc1[O-] ZINC000125058014 169393077 /nfs/dbraw/zinc/39/30/77/169393077.db2.gz YSDAFRPMDNBFKQ-SSDOTTSWSA-N 0 3 209.249 0.853 20 0 BCADHN CC(C)N(C)CC(=O)N1CCC[C@@H]1CO ZINC000179630418 134323115 /nfs/dbraw/zinc/32/31/15/134323115.db2.gz PDALXQGKGNLUAX-SNVBAGLBSA-N 0 3 214.309 0.310 20 0 BCADHN C[S@@](=O)CCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000179659703 134323220 /nfs/dbraw/zinc/32/32/20/134323220.db2.gz ZHJCUDOYINDJEW-QLJPJBMISA-N 0 3 244.360 0.062 20 0 BCADHN CCC[C@@H](NC(C)C)C(=O)NCC(=O)NC ZINC000336734690 169398640 /nfs/dbraw/zinc/39/86/40/169398640.db2.gz LBOFWKOVDRISQR-SECBINFHSA-N 0 3 229.324 0.015 20 0 BCADHN CCC[C@@H](O)CNC(=O)NC1CCN(C)CC1 ZINC000114912034 169405981 /nfs/dbraw/zinc/40/59/81/169405981.db2.gz AXSQOHVGZNNGAI-LLVKDONJSA-N 0 3 243.351 0.541 20 0 BCADHN CC[C@@H](C(N)=O)N1CCCN(C2CC2)CC1 ZINC000172346929 535452645 /nfs/dbraw/zinc/45/26/45/535452645.db2.gz OWSLUJKYRQQQAW-NSHDSACASA-N 0 3 225.336 0.420 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000223820097 134342864 /nfs/dbraw/zinc/34/28/64/134342864.db2.gz LBCLCOYPCZNWTR-DVVUODLYSA-N 0 3 247.360 0.577 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCC1(C)CC1 ZINC000223814540 134343154 /nfs/dbraw/zinc/34/31/54/134343154.db2.gz RINJSFSHWTXAAO-MRVPVSSYSA-N 0 3 205.323 0.809 20 0 BCADHN CCC[C@H](C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358039556 169472234 /nfs/dbraw/zinc/47/22/34/169472234.db2.gz CNGSGNSBBNNKDV-JQWIXIFHSA-N 0 3 228.336 0.605 20 0 BCADHN COC(C)(C)C(=O)NCCN(C)C1CC1 ZINC000224046668 134344528 /nfs/dbraw/zinc/34/45/28/134344528.db2.gz QAZJJCPCJGBCDO-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN CO[C@H](C)CN(C)CCNC(=O)C(C)C ZINC000182395186 134345187 /nfs/dbraw/zinc/34/51/87/134345187.db2.gz NRKYGWFIMPAKMD-SNVBAGLBSA-N 0 3 216.325 0.725 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@@H](CCO)C(C)C ZINC000226341371 134360769 /nfs/dbraw/zinc/36/07/69/134360769.db2.gz IOYJLDWYOKSMCK-MNOVXSKESA-N 0 3 230.352 0.883 20 0 BCADHN COC[C@H]1CCN([C@@H](C(=O)OC)C2CC2)C1 ZINC000226499180 134364090 /nfs/dbraw/zinc/36/40/90/134364090.db2.gz CPMMTODKYYZQMX-GXSJLCMTSA-N 0 3 227.304 0.906 20 0 BCADHN COCCN1CC[C@@H](NC(=O)/C=C/C2CC2)C1 ZINC000491930229 532973375 /nfs/dbraw/zinc/97/33/75/532973375.db2.gz WCXDRQXZSDELDU-ZYOFXKKJSA-N 0 3 238.331 0.790 20 0 BCADHN CCOC[C@H](O)CN1CCC[C@@H](OC)C1 ZINC000226656746 134368527 /nfs/dbraw/zinc/36/85/27/134368527.db2.gz XFMLYSUFQFRJHO-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN O[C@@H]1COC[C@H]1N[C@@H]1CCCSC1 ZINC000228804681 259636815 /nfs/dbraw/zinc/63/68/15/259636815.db2.gz RPHNAKNJCALGEF-IWSPIJDZSA-N 0 3 203.307 0.231 20 0 BCADHN C[C@@H](C(=O)N(C)C)N(C)CCCCCO ZINC000227114465 134372687 /nfs/dbraw/zinc/37/26/87/134372687.db2.gz QKMLKDQTYNGLQI-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H](C)CC(C)C ZINC000227348395 134378182 /nfs/dbraw/zinc/37/81/82/134378182.db2.gz RWEZCLRNFJAFAN-BDAKNGLRSA-N 0 3 202.298 0.511 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H](C)CCC(C)C ZINC000227350426 134378911 /nfs/dbraw/zinc/37/89/11/134378911.db2.gz YJSLWOVCXIVEPT-VHSXEESVSA-N 0 3 216.325 0.901 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@@H](C)C(C)C ZINC000227386434 134378986 /nfs/dbraw/zinc/37/89/86/134378986.db2.gz PMTRXVCHPVETMU-BDAKNGLRSA-N 0 3 202.298 0.368 20 0 BCADHN O=C(CNC1CC1)N[C@H]1CCCC[C@@H]1O ZINC000052009898 383821015 /nfs/dbraw/zinc/82/10/15/383821015.db2.gz OPKGAHKIUJVICZ-UWVGGRQHSA-N 0 3 212.293 0.158 20 0 BCADHN OC[C@@H]1CCN(C[C@@H]2CCCCO2)C[C@@H]1O ZINC000558165752 383822113 /nfs/dbraw/zinc/82/21/13/383822113.db2.gz ORDJWVPXZYIXTM-SRVKXCTJSA-N 0 3 229.320 0.231 20 0 BCADHN OC[C@@H]1CCN(CCN2CCCCC2)C[C@@H]1O ZINC000558168039 383824806 /nfs/dbraw/zinc/82/48/06/383824806.db2.gz ZFDAOBUNUFCHDF-STQMWFEESA-N 0 3 242.363 0.147 20 0 BCADHN CC(=O)CCCC(=O)NC[C@@](C)(O)CN(C)C ZINC000185542507 134381565 /nfs/dbraw/zinc/38/15/65/134381565.db2.gz GGDISVMABUPSSN-GFCCVEGCSA-N 0 3 244.335 0.175 20 0 BCADHN CC(C)CCOCCN1C[C@H](O)[C@H](CO)C1 ZINC000317514299 383842522 /nfs/dbraw/zinc/84/25/22/383842522.db2.gz VDSHOHHKBDZNAA-RYUDHWBXSA-N 0 3 231.336 0.334 20 0 BCADHN CO[C@H](C)CNC(=O)[C@@H](CN)c1ccccc1 ZINC000223722725 383848358 /nfs/dbraw/zinc/84/83/58/383848358.db2.gz JPHRPISYUOQWRE-PWSUYJOCSA-N 0 3 236.315 0.880 20 0 BCADHN CO[C@H](C)CNC(=O)[C@H](CN)c1ccccc1 ZINC000223722835 383848401 /nfs/dbraw/zinc/84/84/01/383848401.db2.gz JPHRPISYUOQWRE-ZYHUDNBSSA-N 0 3 236.315 0.880 20 0 BCADHN CCN(C[C@@H](C)O)C(=O)N[C@@H](C)CN(C)C ZINC000358526232 383851123 /nfs/dbraw/zinc/85/11/23/383851123.db2.gz OMZUXDRWQMIYOZ-VHSXEESVSA-N 0 3 231.340 0.349 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)N[C@H](C)CN(C)C ZINC000358537335 383869637 /nfs/dbraw/zinc/86/96/37/383869637.db2.gz ZOSLBRNKFRPMRP-MNOVXSKESA-N 0 3 245.367 0.643 20 0 BCADHN C[C@@H](NC[C@]1(O)CCOC1)c1cnn(C)c1 ZINC000222419780 383876025 /nfs/dbraw/zinc/87/60/25/383876025.db2.gz VVJYVBRRHFNRFH-MWLCHTKSSA-N 0 3 225.292 0.222 20 0 BCADHN COc1ncccc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000066653088 383877723 /nfs/dbraw/zinc/87/77/23/383877723.db2.gz YNODMNBAURQWJX-JTQLQIEISA-N 0 3 249.314 0.772 20 0 BCADHN CCOCCNCc1ccc(C(N)=O)cc1 ZINC000035151319 383833570 /nfs/dbraw/zinc/83/35/70/383833570.db2.gz CNQZLYDNECDVQX-UHFFFAOYSA-N 0 3 222.288 0.912 20 0 BCADHN CC[C@@H](C)CN(CCOC)[C@@H](C)C(N)=O ZINC000088509294 383909765 /nfs/dbraw/zinc/90/97/65/383909765.db2.gz CZGMJDBCHNTJIP-ZJUUUORDSA-N 0 3 216.325 0.855 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccccc1C(N)=O ZINC000036871414 383912371 /nfs/dbraw/zinc/91/23/71/383912371.db2.gz LIHRBKGYAHZJNQ-QMMMGPOBSA-N 0 3 221.260 0.461 20 0 BCADHN C[C@@H](CN1CCOCC1)NCc1cncn1C ZINC000112341104 383920165 /nfs/dbraw/zinc/92/01/65/383920165.db2.gz WGTKYODIGWTNPZ-NSHDSACASA-N 0 3 238.335 0.230 20 0 BCADHN CN(C)[C@@H](CNC(=O)CN)c1cccc(F)c1 ZINC000237136766 383928634 /nfs/dbraw/zinc/92/86/34/383928634.db2.gz SNAADBHPKVPXRT-NSHDSACASA-N 0 3 239.294 0.503 20 0 BCADHN COC(=O)c1ccc(F)c(NC(=O)[C@H](C)N)c1 ZINC000037017070 383930905 /nfs/dbraw/zinc/93/09/05/383930905.db2.gz JOOHKKOAKCPSSM-LURJTMIESA-N 0 3 240.234 0.898 20 0 BCADHN COCCn1cc(NC(=O)[C@H](N)C(C)C)cn1 ZINC000037043696 383931245 /nfs/dbraw/zinc/93/12/45/383931245.db2.gz DXVBJNHQIKPJCB-SNVBAGLBSA-N 0 3 240.307 0.451 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000037018278 383931733 /nfs/dbraw/zinc/93/17/33/383931733.db2.gz DLRVEDHXPVNJCK-RNFRBKRXSA-N 0 3 249.270 0.692 20 0 BCADHN COC(=O)c1ccc(NC(=O)C2(N)CC2)cc1 ZINC000088130863 383881806 /nfs/dbraw/zinc/88/18/06/383881806.db2.gz NMGIQYKEBBVVLI-UHFFFAOYSA-N 0 3 234.255 0.903 20 0 BCADHN C[C@H](O)CNC(=O)NCCN1CCC[C@H](C)C1 ZINC000186658003 383883860 /nfs/dbraw/zinc/88/38/60/383883860.db2.gz AXJIJQRGUDDSTE-QWRGUYRKSA-N 0 3 243.351 0.398 20 0 BCADHN CN1CCC(C(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000336435470 383884433 /nfs/dbraw/zinc/88/44/33/383884433.db2.gz IJKAASBJUHTXMM-ZDUSSCGKSA-N 0 3 240.347 0.702 20 0 BCADHN CCOCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000036230199 383890499 /nfs/dbraw/zinc/89/04/99/383890499.db2.gz NBDLXWKBGRDVTM-LBPRGKRZSA-N 0 3 236.315 0.709 20 0 BCADHN Cn1cc(CCNCc2cnn(C)c2)cn1 ZINC000088313482 383895957 /nfs/dbraw/zinc/89/59/57/383895957.db2.gz JDEOWYWNRDYPLP-UHFFFAOYSA-N 0 3 219.292 0.486 20 0 BCADHN COCCNCCNC(=O)/C=C\C(C)(C)C ZINC000493449402 533021162 /nfs/dbraw/zinc/02/11/62/533021162.db2.gz GMNZTGYNOJWPAI-WAYWQWQTSA-N 0 3 228.336 0.941 20 0 BCADHN CCC1(CNC(=O)[C@@]2(F)CCNC2)CC1 ZINC000372972481 383903209 /nfs/dbraw/zinc/90/32/09/383903209.db2.gz HKMRQAOTUCTPBM-LLVKDONJSA-N 0 3 214.284 0.994 20 0 BCADHN COc1ncncc1CN[C@@H](C)CN(C)C ZINC000647210848 383903303 /nfs/dbraw/zinc/90/33/03/383903303.db2.gz DDIMBOKSUVJJOO-VIFPVBQESA-N 0 3 224.308 0.525 20 0 BCADHN CCc1nc(CN[C@@H]2COCC2(C)C)n[nH]1 ZINC000313116144 383904382 /nfs/dbraw/zinc/90/43/82/383904382.db2.gz OUSDJRLSXVJDTA-MRVPVSSYSA-N 0 3 224.308 0.882 20 0 BCADHN FC(F)[C@@H]1CNCCN1CC[C@H]1CCOC1 ZINC000569362378 383904853 /nfs/dbraw/zinc/90/48/53/383904853.db2.gz DHNDZTGLEMHTHD-UWVGGRQHSA-N 0 3 234.290 0.952 20 0 BCADHN FC(F)[C@H]1CNCCN1CC[C@H]1CCOC1 ZINC000569362379 383905017 /nfs/dbraw/zinc/90/50/17/383905017.db2.gz DHNDZTGLEMHTHD-VHSXEESVSA-N 0 3 234.290 0.952 20 0 BCADHN C[C@H](CNC(=O)c1ccc[n+]([O-])c1)N(C)C1CC1 ZINC000068219439 383978537 /nfs/dbraw/zinc/97/85/37/383978537.db2.gz KNNZQTILVNKFHF-SNVBAGLBSA-N 0 3 249.314 0.533 20 0 BCADHN Cc1ccc(CN[C@@H]2COC[C@H]2O)s1 ZINC000050225467 383980255 /nfs/dbraw/zinc/98/02/55/383980255.db2.gz JFOAZYOHXQNFCC-NXEZZACHSA-N 0 3 213.302 0.906 20 0 BCADHN Cc1n[nH]c(C)c1NC(=O)CNCC1CC1 ZINC000037478366 383982170 /nfs/dbraw/zinc/98/21/70/383982170.db2.gz FIRSACGZNFNZSE-UHFFFAOYSA-N 0 3 222.292 0.965 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H](COC)C1CC1 ZINC000089634639 383982243 /nfs/dbraw/zinc/98/22/43/383982243.db2.gz UVJZSWMWHKZYRC-GXSJLCMTSA-N 0 3 249.376 0.824 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)OC1CCOCC1 ZINC000497137603 383987049 /nfs/dbraw/zinc/98/70/49/383987049.db2.gz ZBXNTRLTJWMUPB-VIFPVBQESA-N 0 3 230.308 0.842 20 0 BCADHN CC[N@H+](CCOCCO)Cc1ncccc1[O-] ZINC000558409650 383990229 /nfs/dbraw/zinc/99/02/29/383990229.db2.gz XLTZJUBHNAUSAT-UHFFFAOYSA-N 0 3 240.303 0.618 20 0 BCADHN CC[N@@H+](CCOCCO)Cc1ncccc1[O-] ZINC000558409650 383990235 /nfs/dbraw/zinc/99/02/35/383990235.db2.gz XLTZJUBHNAUSAT-UHFFFAOYSA-N 0 3 240.303 0.618 20 0 BCADHN COC[C@H](O)CNCc1c(C)n[nH]c1C ZINC000070589113 383937648 /nfs/dbraw/zinc/93/76/48/383937648.db2.gz KOKLMUSHXWPFRZ-SECBINFHSA-N 0 3 213.281 0.123 20 0 BCADHN CCOC[C@@H](O)CN1CCN(C)C[C@@H]1CC ZINC000564880935 383939755 /nfs/dbraw/zinc/93/97/55/383939755.db2.gz CJVNPEJNAZNOEL-RYUDHWBXSA-N 0 3 230.352 0.410 20 0 BCADHN COC[C@H](O)CN[C@@H](C)c1ccncc1 ZINC000070558714 383941904 /nfs/dbraw/zinc/94/19/04/383941904.db2.gz PWDDUEYAMJNBQU-GXSJLCMTSA-N 0 3 210.277 0.740 20 0 BCADHN CC[C@H](COC)NC(=O)[C@@H](N)C(C)C ZINC000070626173 383944957 /nfs/dbraw/zinc/94/49/57/383944957.db2.gz HABAVJAIZKJGII-BDAKNGLRSA-N 0 3 202.298 0.511 20 0 BCADHN CCC[C@](C)(N)C(=O)NCc1ncc[nH]1 ZINC000070646723 383949701 /nfs/dbraw/zinc/94/97/01/383949701.db2.gz NOOPVHKWZOSDJB-JTQLQIEISA-N 0 3 210.281 0.543 20 0 BCADHN C[C@@H]1CCCN(CCn2cncn2)[C@@H]1CO ZINC000407948236 383951853 /nfs/dbraw/zinc/95/18/53/383951853.db2.gz IASSKFQOCLYICW-GHMZBOCLSA-N 0 3 224.308 0.371 20 0 BCADHN CCN(C)CCNC(=O)c1ccc2nncn2c1 ZINC000112925424 383958191 /nfs/dbraw/zinc/95/81/91/383958191.db2.gz SXHDJBRGFQTWFT-UHFFFAOYSA-N 0 3 247.302 0.411 20 0 BCADHN CC[N@H+](C)CCNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000112925854 383959299 /nfs/dbraw/zinc/95/92/99/383959299.db2.gz BVBNUJBQSQCYGY-UHFFFAOYSA-N 0 3 238.291 0.172 20 0 BCADHN CC[N@@H+](C)CCNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000112925854 383959301 /nfs/dbraw/zinc/95/93/01/383959301.db2.gz BVBNUJBQSQCYGY-UHFFFAOYSA-N 0 3 238.291 0.172 20 0 BCADHN CC[C@H](N)C(=O)NCCN1CCCCC1 ZINC000049575503 383961256 /nfs/dbraw/zinc/96/12/56/383961256.db2.gz BNUQULQLIXKXCG-JTQLQIEISA-N 0 3 213.325 0.326 20 0 BCADHN CN1CCC(C(=O)N2CCOC(C)(C)C2)CC1 ZINC000336474404 383969133 /nfs/dbraw/zinc/96/91/33/383969133.db2.gz CZFPCMYJIZNZMS-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@@H]1CO[C@@H](C)C1 ZINC000401777827 383976354 /nfs/dbraw/zinc/97/63/54/383976354.db2.gz FOSKERWALZDCMX-GUBZILKMSA-N 0 3 214.309 0.667 20 0 BCADHN C[C@@H](NC[C@H]1CN(C)CCN1C)c1cccnc1 ZINC000068801970 384016585 /nfs/dbraw/zinc/01/65/85/384016585.db2.gz ZOFRQXZPASPMLO-OCCSQVGLSA-N 0 3 248.374 0.978 20 0 BCADHN C[C@H](NC[C@H]1CN(C)CCN1C)c1ccncc1 ZINC000068802978 384016703 /nfs/dbraw/zinc/01/67/03/384016703.db2.gz ZRAMSRIDROFBPE-JSGCOSHPSA-N 0 3 248.374 0.978 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)Cc1cnn(C)c1 ZINC000037800755 384020956 /nfs/dbraw/zinc/02/09/56/384020956.db2.gz XLQLKASFOCYQOS-NSHDSACASA-N 0 3 238.335 0.752 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)CC1CCCC1 ZINC000152724873 384023090 /nfs/dbraw/zinc/02/30/90/384023090.db2.gz ZUVYZYYLKBTWIK-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](C(=O)N[C@@](C)(CO)C(C)C)N(C)C ZINC000332470114 384007901 /nfs/dbraw/zinc/00/79/01/384007901.db2.gz LHSNUDYZFSNZST-JQWIXIFHSA-N 0 3 230.352 0.850 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H]1CO[C@H](C)C1 ZINC000647216004 384008872 /nfs/dbraw/zinc/00/88/72/384008872.db2.gz QKDRKHGRXCUSKB-LMLFDSFASA-N 0 3 215.293 0.557 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)Cc2ncc[nH]2)C1 ZINC000518560298 384010653 /nfs/dbraw/zinc/01/06/53/384010653.db2.gz XRROEFDHOOIPHW-SNVBAGLBSA-N 0 3 236.319 0.710 20 0 BCADHN Cc1ccc(CNC[C@H]2CN(C)CCN2C)o1 ZINC000068800441 384012795 /nfs/dbraw/zinc/01/27/95/384012795.db2.gz RJXUMPIZRUWKOP-LBPRGKRZSA-N 0 3 237.347 0.923 20 0 BCADHN O=C1NCC[C@@H]1N1CCC2(C1)CCOCC2 ZINC000336494234 384013486 /nfs/dbraw/zinc/01/34/86/384013486.db2.gz UXZPTMYPYCEKFO-JTQLQIEISA-N 0 3 224.304 0.377 20 0 BCADHN C[C@H](N)C(=O)Nc1c2c(nn1C)CCC2 ZINC000261590474 384052069 /nfs/dbraw/zinc/05/20/69/384052069.db2.gz UNXFVVDWMRAUDP-LURJTMIESA-N 0 3 208.265 0.195 20 0 BCADHN Cc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)n(C)n1 ZINC000090121947 384029957 /nfs/dbraw/zinc/02/99/57/384029957.db2.gz FHBOOFZBSRMTDZ-UWVGGRQHSA-N 0 3 236.319 0.551 20 0 BCADHN CC(C)N(C)CC(=O)NCc1ncc[nH]1 ZINC000114339910 384033112 /nfs/dbraw/zinc/03/31/12/384033112.db2.gz OEICWJGMEAAQNV-UHFFFAOYSA-N 0 3 210.281 0.366 20 0 BCADHN CO[C@H](CN)C(=O)Nc1ccccc1C ZINC000227345677 384036470 /nfs/dbraw/zinc/03/64/70/384036470.db2.gz NOSVECJSKJZGCI-SNVBAGLBSA-N 0 3 208.261 0.907 20 0 BCADHN C[C@@H]1C[C@@H](NCC(=O)NCC2CC2)CO1 ZINC000401810005 384038240 /nfs/dbraw/zinc/03/82/40/384038240.db2.gz DUDPTALIXOWBFC-PSASIEDQSA-N 0 3 212.293 0.280 20 0 BCADHN CCOC[C@@H](O)CN(C)CCc1ccccn1 ZINC000069276447 384038205 /nfs/dbraw/zinc/03/82/05/384038205.db2.gz MGWPNDPGHNATSG-ZDUSSCGKSA-N 0 3 238.331 0.953 20 0 BCADHN Cc1ccc(C(=O)NCCNC(=O)[C@H](C)N)cc1 ZINC000037902970 384039394 /nfs/dbraw/zinc/03/93/94/384039394.db2.gz NCMWJJKYMMGOLL-JTQLQIEISA-N 0 3 249.314 0.188 20 0 BCADHN F[C@@]1(c2nc([C@H]3CCCN3)no2)CCNC1 ZINC000647156672 384042097 /nfs/dbraw/zinc/04/20/97/384042097.db2.gz KZNDPGDKFOOELL-XCBNKYQSSA-N 0 3 226.255 0.652 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN(C)C[C@H](C)OC ZINC000310212996 384084211 /nfs/dbraw/zinc/08/42/11/384084211.db2.gz KVNXHDSYMPCTFY-SDDRHHMPSA-N 0 3 249.351 0.366 20 0 BCADHN CCn1nccc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000648127693 384054678 /nfs/dbraw/zinc/05/46/78/384054678.db2.gz MLRSCFWTTGMWGY-NXEZZACHSA-N 0 3 236.319 0.725 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cocn2)[C@H]1C ZINC000648127726 384054989 /nfs/dbraw/zinc/05/49/89/384054989.db2.gz SXVCZCXLCFCMFD-YUMQZZPRSA-N 0 3 209.249 0.497 20 0 BCADHN CSCCCN1CCNC(=O)C[C@@H]1C ZINC000363460401 384061415 /nfs/dbraw/zinc/06/14/15/384061415.db2.gz CFYQKNHJSUXCKU-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN C[C@@H](N[C@H](CO)c1cnn(C)c1)C1CC1 ZINC000090884824 384067566 /nfs/dbraw/zinc/06/75/66/384067566.db2.gz MRHKUJWOJCPDLK-LDYMZIIASA-N 0 3 209.293 0.842 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)CC(C)(C)C ZINC000332513420 384069280 /nfs/dbraw/zinc/06/92/80/384069280.db2.gz YOGNSDWVSKGEPF-MRVPVSSYSA-N 0 3 235.349 0.924 20 0 BCADHN CCS(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000077898193 384069943 /nfs/dbraw/zinc/06/99/43/384069943.db2.gz NRGWTSBNLJFSPZ-SECBINFHSA-N 0 3 232.349 0.410 20 0 BCADHN CC(C(=O)N1CCOC(C)(C)C1)S(C)(=O)=O ZINC000077705153 384071242 /nfs/dbraw/zinc/07/12/42/384071242.db2.gz YJFLSOOWDMNLNN-MRVPVSSYSA-N 0 3 249.332 0.057 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCCN(C)C1)[C@@H](C)O ZINC000642901680 384072647 /nfs/dbraw/zinc/07/26/47/384072647.db2.gz ANGGLFQTAADPMN-VWYCJHECSA-N 0 3 228.336 0.604 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC[C@H](OC)C1CC1 ZINC000400281278 384073903 /nfs/dbraw/zinc/07/39/03/384073903.db2.gz RMLKPOZWICAYRE-KOLCDFICSA-N 0 3 228.336 0.868 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC[C@@H](OC)C1CC1 ZINC000400281279 384074019 /nfs/dbraw/zinc/07/40/19/384074019.db2.gz RMLKPOZWICAYRE-MWLCHTKSSA-N 0 3 228.336 0.868 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC[C@@H](OC)C1CC1 ZINC000400281277 384074416 /nfs/dbraw/zinc/07/44/16/384074416.db2.gz RMLKPOZWICAYRE-GXSJLCMTSA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1COc2ccccc21 ZINC000070069107 384075799 /nfs/dbraw/zinc/07/57/99/384075799.db2.gz XXNWBVGYWVYDOF-VHSXEESVSA-N 0 3 220.272 0.974 20 0 BCADHN CN(C)CCN(C)C(=O)c1cccc(=O)[nH]1 ZINC000234246748 384097751 /nfs/dbraw/zinc/09/77/51/384097751.db2.gz FUYSTSDFZMAQGB-UHFFFAOYSA-N 0 3 223.276 0.009 20 0 BCADHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cnccn2)C1 ZINC000247466517 384102203 /nfs/dbraw/zinc/10/22/03/384102203.db2.gz UVJOBPWJLXXYNU-CMPLNLGQSA-N 0 3 248.330 0.935 20 0 BCADHN COCCCOCCN(C)CCOC ZINC000091102668 384102862 /nfs/dbraw/zinc/10/28/62/384102862.db2.gz SNJBHCRUOSWWJT-UHFFFAOYSA-N 0 3 205.298 0.618 20 0 BCADHN O=C([C@@H]1COc2ccccc21)N1CCCNCC1 ZINC000070389380 384104687 /nfs/dbraw/zinc/10/46/87/384104687.db2.gz QSJPVHZZDHNBLS-GFCCVEGCSA-N 0 3 246.310 0.985 20 0 BCADHN C[C@H](NC(=O)C[C@@H]1CNCCO1)c1ccccn1 ZINC000091299408 384113958 /nfs/dbraw/zinc/11/39/58/384113958.db2.gz DDNHNIXCFAKHSR-WDEREUQCSA-N 0 3 249.314 0.637 20 0 BCADHN Cn1cc(CNCC2(C)CCOCC2)nn1 ZINC000227833942 134390058 /nfs/dbraw/zinc/39/00/58/134390058.db2.gz JRQNSFRQFPTLIW-UHFFFAOYSA-N 0 3 224.308 0.721 20 0 BCADHN CN(Cc1ccco1)C(=O)C[C@H]1CNCCO1 ZINC000091299413 384115215 /nfs/dbraw/zinc/11/52/15/384115215.db2.gz WIXRLRASATYMRA-NSHDSACASA-N 0 3 238.287 0.617 20 0 BCADHN O=C1CCCN1[C@H]1CCCN([C@H]2CCOC2)C1 ZINC000336553182 384115508 /nfs/dbraw/zinc/11/55/08/384115508.db2.gz RRNMSDYQQYVQFU-RYUDHWBXSA-N 0 3 238.331 0.862 20 0 BCADHN C[C@H](NC(=O)C[C@H]1CNCCO1)c1ccccn1 ZINC000091299410 384115494 /nfs/dbraw/zinc/11/54/94/384115494.db2.gz DDNHNIXCFAKHSR-QWRGUYRKSA-N 0 3 249.314 0.637 20 0 BCADHN OC[C@H]1CCN(CCc2cccnc2)C[C@H]1O ZINC000569499849 384133541 /nfs/dbraw/zinc/13/35/41/384133541.db2.gz NIZSRRZDKFMTHQ-CHWSQXEVSA-N 0 3 236.315 0.299 20 0 BCADHN OC[C@@H]1CCN(CCc2cccnc2)C[C@@H]1O ZINC000569499852 384136871 /nfs/dbraw/zinc/13/68/71/384136871.db2.gz NIZSRRZDKFMTHQ-STQMWFEESA-N 0 3 236.315 0.299 20 0 BCADHN CN(C(=O)[C@@]1(C)CCOC1)C1CCN(C)CC1 ZINC000336559447 384137053 /nfs/dbraw/zinc/13/70/53/384137053.db2.gz NJHORUBHHPWKDA-ZDUSSCGKSA-N 0 3 240.347 0.966 20 0 BCADHN CN(CCCCCO)CC(=O)NC(C)(C)C ZINC000227876428 134391636 /nfs/dbraw/zinc/39/16/36/134391636.db2.gz FRZPMKGLSJTDBB-UHFFFAOYSA-N 0 3 230.352 0.996 20 0 BCADHN Cc1ccc(CN2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000317691875 384124971 /nfs/dbraw/zinc/12/49/71/384124971.db2.gz RGQCMYGWYGDELS-OLZOCXBDSA-N 0 3 221.300 0.780 20 0 BCADHN Cc1n[nH]cc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000070650800 384129610 /nfs/dbraw/zinc/12/96/10/384129610.db2.gz PLXHFSGCJPKVJE-VIFPVBQESA-N 0 3 222.292 0.400 20 0 BCADHN CN(C[C@@H]1CCC[C@H]1O)C(=O)[C@@H]1NCC1(C)C ZINC000648166890 384148481 /nfs/dbraw/zinc/14/84/81/384148481.db2.gz BIAJWNPGPQTERA-AXFHLTTASA-N 0 3 240.347 0.604 20 0 BCADHN COC[C@@H](O)CN[C@H]1CCc2c1cccc2O ZINC000071263914 384156059 /nfs/dbraw/zinc/15/60/59/384156059.db2.gz LRYMBPJYFFIWLI-CABZTGNLSA-N 0 3 237.299 0.976 20 0 BCADHN COC[C@@H](O)CNCc1cccc2c1OCO2 ZINC000070980113 384145599 /nfs/dbraw/zinc/14/55/99/384145599.db2.gz TYKGOMABXBSFQQ-JTQLQIEISA-N 0 3 239.271 0.512 20 0 BCADHN COC[C@H](O)CNCc1cccc2c1OCO2 ZINC000070980111 384145891 /nfs/dbraw/zinc/14/58/91/384145891.db2.gz TYKGOMABXBSFQQ-SNVBAGLBSA-N 0 3 239.271 0.512 20 0 BCADHN NS(=O)(=O)[C@@H]1CCCN(CC2CCC2)C1 ZINC000336580577 384173835 /nfs/dbraw/zinc/17/38/35/384173835.db2.gz GFCUCENKRINKBY-SNVBAGLBSA-N 0 3 232.349 0.539 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000237405772 384174581 /nfs/dbraw/zinc/17/45/81/384174581.db2.gz MZDLMUIAHJHEFX-NHCYSSNCSA-N 0 3 236.315 0.442 20 0 BCADHN CC(=O)Nc1ccc(CNC(=O)[C@H](C)N)cc1 ZINC000040834278 384164427 /nfs/dbraw/zinc/16/44/27/384164427.db2.gz KICICOPFNQHWPB-QMMMGPOBSA-N 0 3 235.287 0.608 20 0 BCADHN CC(C)(N)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000040921191 384169551 /nfs/dbraw/zinc/16/95/51/384169551.db2.gz GFOVPHPRGQJRAI-UHFFFAOYSA-N 0 3 245.286 0.943 20 0 BCADHN CO[C@@H](C)[C@H](C)NCC(=O)NC(C)(C)C ZINC000132319396 384185514 /nfs/dbraw/zinc/18/55/14/384185514.db2.gz OIKXNXCGDHUDMP-IUCAKERBSA-N 0 3 216.325 0.914 20 0 BCADHN NCc1noc(C23CCCN2CCC3)n1 ZINC000647159362 384181324 /nfs/dbraw/zinc/18/13/24/384181324.db2.gz JIYCEBUMKNSVSJ-UHFFFAOYSA-N 0 3 208.265 0.613 20 0 BCADHN Cn1cncc1CN1CCC[C@@H](C(N)=O)C1 ZINC000408402256 384183789 /nfs/dbraw/zinc/18/37/89/384183789.db2.gz KXMGCVQCRDBSKP-SECBINFHSA-N 0 3 222.292 0.117 20 0 BCADHN Cc1cccc(NC2CCN(C(=O)CN)CC2)n1 ZINC000370765943 384202341 /nfs/dbraw/zinc/20/23/41/384202341.db2.gz JAHYYCOERRDRAB-UHFFFAOYSA-N 0 3 248.330 0.752 20 0 BCADHN CN(Cc1ccc(CO)o1)CC(C)(C)O ZINC000093414601 384206076 /nfs/dbraw/zinc/20/60/76/384206076.db2.gz DVQLFDLFZWSEGT-UHFFFAOYSA-N 0 3 213.277 0.975 20 0 BCADHN CCc1nc(CN[C@@H]2CO[C@@H](C)C2)n[nH]1 ZINC000401878566 384192468 /nfs/dbraw/zinc/19/24/68/384192468.db2.gz GREZTSWBDGTGGX-YUMQZZPRSA-N 0 3 210.281 0.634 20 0 BCADHN CCN1CCN(CCC(C)(C)O)CC1 ZINC000081675905 384195710 /nfs/dbraw/zinc/19/57/10/384195710.db2.gz NCQHNIKZJIKDEI-UHFFFAOYSA-N 0 3 200.326 0.785 20 0 BCADHN C[C@@H](CCNCc1cncn1C)[S@@](C)=O ZINC000132572752 384197276 /nfs/dbraw/zinc/19/72/76/384197276.db2.gz UFHRWANZGFKTQP-VFZGTOFNSA-N 0 3 229.349 0.667 20 0 BCADHN C[C@H](CCNCc1cncn1C)[S@](C)=O ZINC000132572534 384197695 /nfs/dbraw/zinc/19/76/95/384197695.db2.gz UFHRWANZGFKTQP-RFAUZJTJSA-N 0 3 229.349 0.667 20 0 BCADHN CC(C(=O)N(C)CC(F)(F)F)S(C)(=O)=O ZINC000097392302 384198673 /nfs/dbraw/zinc/19/86/73/384198673.db2.gz ASEVSCYGEQBJFA-YFKPBYRVSA-N 0 3 247.238 0.440 20 0 BCADHN COCC[C@H](CO)NCc1ccnn1C(C)C ZINC000282311068 384231720 /nfs/dbraw/zinc/23/17/20/384231720.db2.gz SJKBFNNUASYOMT-LLVKDONJSA-N 0 3 241.335 0.951 20 0 BCADHN CC[C@H]1CN(Cc2ccnc(N)c2)C[C@H]1O ZINC000278841602 384232453 /nfs/dbraw/zinc/23/24/53/384232453.db2.gz KWDSQSDZZWPRNX-WDEREUQCSA-N 0 3 221.304 0.867 20 0 BCADHN CCOC[C@@H](C)N[C@@H](C)CS(C)(=O)=O ZINC000081900966 384211310 /nfs/dbraw/zinc/21/13/10/384211310.db2.gz RLEIUXKYBAFSSD-BDAKNGLRSA-N 0 3 223.338 0.434 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@H]1CCCCO1 ZINC000081900921 384211874 /nfs/dbraw/zinc/21/18/74/384211874.db2.gz FQSBJDFMVSBEHR-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@H]1CC1(C)C ZINC000081900998 384212112 /nfs/dbraw/zinc/21/21/12/384212112.db2.gz TWTSMXHSJRYYTM-YUMQZZPRSA-N 0 3 205.323 0.808 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000158229322 384212755 /nfs/dbraw/zinc/21/27/55/384212755.db2.gz HAEMTRFGMOHFDS-AAEUAGOBSA-N 0 3 248.326 0.804 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCCSC1 ZINC000081902762 384215088 /nfs/dbraw/zinc/21/50/88/384215088.db2.gz WHLUVJUBSMJWTB-RKDXNWHRSA-N 0 3 237.390 0.905 20 0 BCADHN CN(C)c1ncc(NC(=O)[C@@H]2NCC2(C)C)cn1 ZINC000644155052 384219060 /nfs/dbraw/zinc/21/90/60/384219060.db2.gz UNLTYOLUYYROFU-VIFPVBQESA-N 0 3 249.318 0.479 20 0 BCADHN OC[C@H]1CCCN(CCc2cnccn2)C1 ZINC000402892977 384222231 /nfs/dbraw/zinc/22/22/31/384222231.db2.gz GKTSLINLOZBXQA-NSHDSACASA-N 0 3 221.304 0.723 20 0 BCADHN C[C@@H]1CN(CCc2cnccn2)C[C@@H]1O ZINC000402892886 384222340 /nfs/dbraw/zinc/22/23/40/384222340.db2.gz GEYSUOLHFIRJGU-KOLCDFICSA-N 0 3 207.277 0.332 20 0 BCADHN C[C@@H]1C[C@H](CO)CN(CCc2cnccn2)C1 ZINC000402897355 384222405 /nfs/dbraw/zinc/22/24/05/384222405.db2.gz FNTWIXXXBGILJC-NEPJUHHUSA-N 0 3 235.331 0.969 20 0 BCADHN Cn1cncc1CNCC1(CCO)CC1 ZINC000133057448 384223561 /nfs/dbraw/zinc/22/35/61/384223561.db2.gz KIPMLYGCVSENLE-UHFFFAOYSA-N 0 3 209.293 0.672 20 0 BCADHN C[C@H]1c2nncn2CCN1C(=O)[C@@H]1NCC1(C)C ZINC000644158950 384224906 /nfs/dbraw/zinc/22/49/06/384224906.db2.gz BONPWLADVCECKV-IUCAKERBSA-N 0 3 249.318 0.179 20 0 BCADHN C[C@@H]1c2nncn2CCN1C(=O)[C@@H]1NCC1(C)C ZINC000644158948 384225353 /nfs/dbraw/zinc/22/53/53/384225353.db2.gz BONPWLADVCECKV-BDAKNGLRSA-N 0 3 249.318 0.179 20 0 BCADHN CC[C@H](N)C(=O)N1CCS[C@H](C)C1 ZINC000157590932 384226400 /nfs/dbraw/zinc/22/64/00/384226400.db2.gz QUVXSYJXEULDSL-SFYZADRCSA-N 0 3 202.323 0.688 20 0 BCADHN CC(C)OCCNC(=O)[C@@H]1NCC1(C)C ZINC000644158183 384228008 /nfs/dbraw/zinc/22/80/08/384228008.db2.gz OXNZOMUODGMLNO-VIFPVBQESA-N 0 3 214.309 0.526 20 0 BCADHN CC[C@@H](CO)[NH2+]Cc1nc(C)ccc1[O-] ZINC000082420295 384228380 /nfs/dbraw/zinc/22/83/80/384228380.db2.gz VUBNRIBDSUKHTQ-VIFPVBQESA-N 0 3 210.277 0.956 20 0 BCADHN Cc1ccc(O)c(CN(CCO)CCCO)n1 ZINC000093323848 384228452 /nfs/dbraw/zinc/22/84/52/384228452.db2.gz UVWLVNMIZDVCGL-UHFFFAOYSA-N 0 3 240.303 0.272 20 0 BCADHN CCCCN(C)Cc1cc(=O)n(C)c(=O)n1C ZINC000073261685 384247000 /nfs/dbraw/zinc/24/70/00/384247000.db2.gz XIPJOUFQOQSWFO-UHFFFAOYSA-N 0 3 239.319 0.316 20 0 BCADHN CCN(CC)S(=O)(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000069629047 384247928 /nfs/dbraw/zinc/24/79/28/384247928.db2.gz KXHDOCDEXPETJO-NXEZZACHSA-N 0 3 249.380 0.255 20 0 BCADHN CCO[C@H]1C[C@H]1C(=O)N(C)CCN(C)C ZINC000359587264 384277192 /nfs/dbraw/zinc/27/71/92/384277192.db2.gz GKVFPQMTUJLGJT-ZJUUUORDSA-N 0 3 214.309 0.431 20 0 BCADHN CCC[C@H](N)C(=O)NCc1cscn1 ZINC000082626617 384251687 /nfs/dbraw/zinc/25/16/87/384251687.db2.gz YWBNPWMXAXMYHA-QMMMGPOBSA-N 0 3 213.306 0.887 20 0 BCADHN C[C@@H](C[NH3+])N(C)C(=O)c1ccccc1[O-] ZINC000082640664 384253357 /nfs/dbraw/zinc/25/33/57/384253357.db2.gz CVELUCBUCPPPFU-QMMMGPOBSA-N 0 3 208.261 0.811 20 0 BCADHN CC[C@H](N)C(=O)NCCCn1nc(C)cc1C ZINC000133188979 384277509 /nfs/dbraw/zinc/27/75/09/384277509.db2.gz GSTVFCNARLBWMH-NSHDSACASA-N 0 3 238.335 0.744 20 0 BCADHN CC[C@](C)(CN[C@H]1CCCNC1=O)OC ZINC000319502823 384255533 /nfs/dbraw/zinc/25/55/33/384255533.db2.gz WKDQFDCJSLPFRQ-GXSJLCMTSA-N 0 3 214.309 0.670 20 0 BCADHN Cc1noc(Cn2cc3c(n2)[C@H](N)CCC3)n1 ZINC000644167925 384256404 /nfs/dbraw/zinc/25/64/04/384256404.db2.gz QVINTLFIVYLJQW-SECBINFHSA-N 0 3 233.275 0.959 20 0 BCADHN CCN(C)CCNC(=O)c1ccncc1F ZINC000133542533 384258439 /nfs/dbraw/zinc/25/84/39/384258439.db2.gz YALSHPBDWFJHDH-UHFFFAOYSA-N 0 3 225.267 0.902 20 0 BCADHN CSCC[C@H](N)C(=O)Nc1nnc(C)s1 ZINC000133661825 384259032 /nfs/dbraw/zinc/25/90/32/384259032.db2.gz IJRLVGHTFBHCHV-LURJTMIESA-N 0 3 246.361 0.865 20 0 BCADHN C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)NC1CC1 ZINC000235516426 384259092 /nfs/dbraw/zinc/25/90/92/384259092.db2.gz CEEWKWORVLPXMJ-YGOYTEALSA-N 0 3 226.320 0.811 20 0 BCADHN Cc1cc(C)n(CCN(C)CCOCCO)n1 ZINC000282407446 384268288 /nfs/dbraw/zinc/26/82/88/384268288.db2.gz HWOVBUXEBAWZQL-UHFFFAOYSA-N 0 3 241.335 0.441 20 0 BCADHN Cn1cncc1CN[C@@H]1CCC(=O)N(C)C1 ZINC000082784176 384268813 /nfs/dbraw/zinc/26/88/13/384268813.db2.gz MEKXCKWUQAMPFC-SECBINFHSA-N 0 3 222.292 0.131 20 0 BCADHN CCOCC[C@H](O)CN[C@@H](C)c1cn[nH]c1 ZINC000278872804 384269606 /nfs/dbraw/zinc/26/96/06/384269606.db2.gz SQSMCBFQAIKUET-ONGXEEELSA-N 0 3 227.308 0.848 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@H](C)[C@H]1CO ZINC000305170543 384270496 /nfs/dbraw/zinc/27/04/96/384270496.db2.gz JLROCDSIKWGQCB-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN CN(Cc1ccnn1C)C[C@H]1CCOC1 ZINC000093840197 384271908 /nfs/dbraw/zinc/27/19/08/384271908.db2.gz QALJLKTXRFRWNY-SNVBAGLBSA-N 0 3 209.293 0.888 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000119478372 384276803 /nfs/dbraw/zinc/27/68/03/384276803.db2.gz GJBUMGJCFRPIQS-WPRPVWTQSA-N 0 3 240.328 0.995 20 0 BCADHN COC(=O)c1ccc(CNCC2(C)COC2)[nH]1 ZINC000094721766 384310698 /nfs/dbraw/zinc/31/06/98/384310698.db2.gz NGGHWMAXVCTROE-UHFFFAOYSA-N 0 3 238.287 0.927 20 0 BCADHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000083565527 384311031 /nfs/dbraw/zinc/31/10/31/384311031.db2.gz GFJWPDRSPHZARL-MRVPVSSYSA-N 0 3 246.357 0.764 20 0 BCADHN CC[C@@H](N)C(=O)NCCOC[C@@H]1CCCO1 ZINC000129558800 384311793 /nfs/dbraw/zinc/31/17/93/384311793.db2.gz NEJSIKNVCPVAGJ-VHSXEESVSA-N 0 3 230.308 0.036 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@@H](N)C2CCC2)CC[C@@H]1C ZINC000332489853 384315818 /nfs/dbraw/zinc/31/58/18/384315818.db2.gz XPXPEPJJLWMCGB-WCQGTBRESA-N 0 3 240.347 0.997 20 0 BCADHN CN(C)CCNC(=O)NCCn1cccc1 ZINC000133843920 384316439 /nfs/dbraw/zinc/31/64/39/384316439.db2.gz PGNSLFSEEVLJBM-UHFFFAOYSA-N 0 3 224.308 0.349 20 0 BCADHN CNCC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000082276238 384317276 /nfs/dbraw/zinc/31/72/76/384317276.db2.gz PFDHRZLOXAKXIE-UHFFFAOYSA-N 0 3 222.292 0.335 20 0 BCADHN C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000569577091 384279037 /nfs/dbraw/zinc/27/90/37/384279037.db2.gz LLQKMCRKMSLFKZ-YUMQZZPRSA-N 0 3 247.302 0.814 20 0 BCADHN C[C@H](C[S@@](C)=O)N[C@H](C)c1ccnn1C ZINC000300059886 384283192 /nfs/dbraw/zinc/28/31/92/384283192.db2.gz BBZZTMBOEACREG-KEMUVXCRSA-N 0 3 229.349 0.838 20 0 BCADHN C[NH+](C)CCCNC(=O)/C=C/c1cncc([O-])c1 ZINC000179383684 384287102 /nfs/dbraw/zinc/28/71/02/384287102.db2.gz LXGCQQLBDAKGTG-SNAWJCMRSA-N 0 3 249.314 0.868 20 0 BCADHN CN[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000569590601 384290219 /nfs/dbraw/zinc/29/02/19/384290219.db2.gz MHQAUFMVQMFDOW-IUCAKERBSA-N 0 3 243.351 0.356 20 0 BCADHN CSCC[C@@H](N)C(=O)NCc1ccco1 ZINC000083356219 384293159 /nfs/dbraw/zinc/29/31/59/384293159.db2.gz OLLVMVGBCBYKRL-SECBINFHSA-N 0 3 228.317 0.976 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000335474417 384294343 /nfs/dbraw/zinc/29/43/43/384294343.db2.gz FJTLZVGOYZSLPU-NXEZZACHSA-N 0 3 212.293 0.361 20 0 BCADHN CC(C)c1cc(C(=O)NCCN(C)C)nn1C ZINC000074621264 384297588 /nfs/dbraw/zinc/29/75/88/384297588.db2.gz KQTXYWBHCMDSKH-UHFFFAOYSA-N 0 3 238.335 0.835 20 0 BCADHN Cc1ccc(F)cc1CNC[C@H](O)CO ZINC000083347374 384297666 /nfs/dbraw/zinc/29/76/66/384297666.db2.gz XAMFQWCBQYMJGC-NSHDSACASA-N 0 3 213.252 0.577 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000443322856 384298622 /nfs/dbraw/zinc/29/86/22/384298622.db2.gz AAVAPLGRWGBPTE-QJPTWQEYSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](N)C(=O)NCCCCC(=O)OC ZINC000083348620 384299037 /nfs/dbraw/zinc/29/90/37/384299037.db2.gz RGDHVJLGAMZMHY-QMMMGPOBSA-N 0 3 216.281 0.183 20 0 BCADHN Nc1cccc(C(=O)N2CCN3CCC[C@H]3C2)n1 ZINC000094467082 384300028 /nfs/dbraw/zinc/30/00/28/384300028.db2.gz NXPOYIMUZJBSSY-JTQLQIEISA-N 0 3 246.314 0.584 20 0 BCADHN CCS(=O)(=O)CCCN[C@@H](C)COC ZINC000083441312 384300259 /nfs/dbraw/zinc/30/02/59/384300259.db2.gz VKFTXLAROFBIDI-VIFPVBQESA-N 0 3 223.338 0.436 20 0 BCADHN CCS(=O)(=O)CCCN[C@H](C)COC ZINC000083441314 384301676 /nfs/dbraw/zinc/30/16/76/384301676.db2.gz VKFTXLAROFBIDI-SECBINFHSA-N 0 3 223.338 0.436 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1C[C@H](C)C[C@@H](O)C1 ZINC000332126059 384302978 /nfs/dbraw/zinc/30/29/78/384302978.db2.gz IOJMUPMTTFNVKR-WCABBAIRSA-N 0 3 226.320 0.356 20 0 BCADHN C[C@H]1C[C@H](NC2COCCOC2)CO1 ZINC000401956080 384337149 /nfs/dbraw/zinc/33/71/49/384337149.db2.gz ZPCIYCNOUDUYDF-IUCAKERBSA-N 0 3 201.266 0.169 20 0 BCADHN C[C@H](NCCn1cccn1)c1cnn(C)c1 ZINC000044500332 384339680 /nfs/dbraw/zinc/33/96/80/384339680.db2.gz FOLJXGRDZOPDOT-JTQLQIEISA-N 0 3 219.292 0.967 20 0 BCADHN C[C@@H](N)C(=O)NCc1nc2ccccc2[nH]1 ZINC000083889204 384342702 /nfs/dbraw/zinc/34/27/02/384342702.db2.gz FWKPQKXMASWCGN-SSDOTTSWSA-N 0 3 218.260 0.526 20 0 BCADHN C[C@@H]1OCC[C@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000134259032 384342611 /nfs/dbraw/zinc/34/26/11/384342611.db2.gz UOCKZEWPFGYYAR-WCFLWFBJSA-N 0 3 248.326 0.850 20 0 BCADHN CC(C)CC[C@H](O)CNCC(=O)N1CCCC1 ZINC000518757946 384342784 /nfs/dbraw/zinc/34/27/84/384342784.db2.gz PAVOFZQEEHGOAM-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1nc(CCNC(=O)[C@H](C)N)sc1C ZINC000083883849 384343131 /nfs/dbraw/zinc/34/31/31/384343131.db2.gz RUSFVSFNQGCNQC-LURJTMIESA-N 0 3 227.333 0.766 20 0 BCADHN CC(C)[C@H]1CN(C(=O)C(C)(C)N)CCO1 ZINC000083940423 384343988 /nfs/dbraw/zinc/34/39/88/384343988.db2.gz JUQGWNBPXBLKMH-SECBINFHSA-N 0 3 214.309 0.607 20 0 BCADHN Cc1ccc(NC(=O)[C@H]2CCN2)c(C)n1 ZINC000336467373 384347181 /nfs/dbraw/zinc/34/71/81/384347181.db2.gz MUFIAAUZONSKAK-SNVBAGLBSA-N 0 3 205.261 0.999 20 0 BCADHN NCC(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000083932046 384348581 /nfs/dbraw/zinc/34/85/81/384348581.db2.gz ILTPEAQBDZUQLU-SECBINFHSA-N 0 3 224.235 0.724 20 0 BCADHN CC(C)N1CC[C@@H](Nc2nccn(C)c2=O)C1 ZINC000174703337 384351120 /nfs/dbraw/zinc/35/11/20/384351120.db2.gz MBBDLVZDWZEQNI-SNVBAGLBSA-N 0 3 236.319 0.675 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)nn1C ZINC000334144482 384351622 /nfs/dbraw/zinc/35/16/22/384351622.db2.gz HLEPWNMCARMGNC-VHSXEESVSA-N 0 3 236.319 0.551 20 0 BCADHN CC[C@H](N[C@@H]1C[C@H](OC)C1(C)C)C(N)=O ZINC000300357522 384358274 /nfs/dbraw/zinc/35/82/74/384358274.db2.gz CBVAVCGIHQZTND-YIZRAAEISA-N 0 3 214.309 0.653 20 0 BCADHN CC(C)COC[C@@H](O)CN(C)CC[C@@H](C)O ZINC000174792032 384360223 /nfs/dbraw/zinc/36/02/23/384360223.db2.gz VTBGPRAIPTVHRQ-NEPJUHHUSA-N 0 3 233.352 0.723 20 0 BCADHN C[C@H](CCS(C)(=O)=O)N[C@H](C)c1cn[nH]c1 ZINC000330364010 384363670 /nfs/dbraw/zinc/36/36/70/384363670.db2.gz BWWFXRHYEMCNIN-RKDXNWHRSA-N 0 3 245.348 0.884 20 0 BCADHN CCOC[C@H](N[C@H]1COC[C@H]1O)C(C)C ZINC000300366534 384364736 /nfs/dbraw/zinc/36/47/36/384364736.db2.gz WZWKMZMEBVACAT-GARJFASQSA-N 0 3 217.309 0.397 20 0 BCADHN Cc1nc(CCN(CCO)CCO)cs1 ZINC000120648599 384369550 /nfs/dbraw/zinc/36/95/50/384369550.db2.gz PSNIJKVNSLDEAM-UHFFFAOYSA-N 0 3 230.333 0.281 20 0 BCADHN CN(C)[C@H]1CN(C(=O)NC2CCCC2)C[C@@H]1O ZINC000642924689 384326152 /nfs/dbraw/zinc/32/61/52/384326152.db2.gz OPHZMARVXDXJFG-QWRGUYRKSA-N 0 3 241.335 0.245 20 0 BCADHN CN(C)[C@@H](CNC(=O)c1ncn[nH]1)c1ccco1 ZINC000095040638 384327246 /nfs/dbraw/zinc/32/72/46/384327246.db2.gz BIPBMTKWZYZRNU-QMMMGPOBSA-N 0 3 249.274 0.430 20 0 BCADHN CN(C)[C@@H](CNC(=O)c1nc[nH]n1)c1ccco1 ZINC000095040638 384327248 /nfs/dbraw/zinc/32/72/48/384327248.db2.gz BIPBMTKWZYZRNU-QMMMGPOBSA-N 0 3 249.274 0.430 20 0 BCADHN Cc1cnc(CNC[C@@H](C)CCO)n1C ZINC000308829318 384327761 /nfs/dbraw/zinc/32/77/61/384327761.db2.gz 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0.758 20 0 BCADHN CN(CCN1CCOCC1)C[C@H]1CCCCO1 ZINC000171920192 384678874 /nfs/dbraw/zinc/67/88/74/384678874.db2.gz WSEUFMBLRHLJSA-CYBMUJFWSA-N 0 3 242.363 0.820 20 0 BCADHN CCN(C)CCNC(=O)c1cc(COC)on1 ZINC000173410676 384681655 /nfs/dbraw/zinc/68/16/55/384681655.db2.gz JFYLOXIWBFBNJJ-UHFFFAOYSA-N 0 3 241.291 0.503 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)Cc1ccon1 ZINC000261574126 384685281 /nfs/dbraw/zinc/68/52/81/384685281.db2.gz JCLRGULRMAGXIR-SECBINFHSA-N 0 3 211.265 0.616 20 0 BCADHN Cc1ccc(CN[C@@H]2CCO[C@@H]2C)c(=O)n1C ZINC000334692037 384687347 /nfs/dbraw/zinc/68/73/47/384687347.db2.gz KKPGXUHSUKQCRI-ZYHUDNBSSA-N 0 3 236.315 0.961 20 0 BCADHN Cc1c[nH]nc1CNCCc1ccn(C)n1 ZINC000309891173 384689434 /nfs/dbraw/zinc/68/94/34/384689434.db2.gz COQYKRHYTPGHJJ-UHFFFAOYSA-N 0 3 219.292 0.784 20 0 BCADHN Cc1ccc(CNC[C@@]2(O)CCN(C)C2)nc1 ZINC000358136604 384692198 /nfs/dbraw/zinc/69/21/98/384692198.db2.gz LKJBJJJERJFZNN-ZDUSSCGKSA-N 0 3 235.331 0.546 20 0 BCADHN Cc1occc1CN(C)C(=O)[C@@H]1C[C@@H]1N ZINC000050464693 384696329 /nfs/dbraw/zinc/69/63/29/384696329.db2.gz CKRDKVMAPJFLIQ-ZJUUUORDSA-N 0 3 208.261 0.894 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1ccccc1F ZINC000050457585 384697304 /nfs/dbraw/zinc/69/73/04/384697304.db2.gz PVHDQDNQSJBMGA-GXSJLCMTSA-N 0 3 222.263 0.832 20 0 BCADHN C[C@@H](NCCCC(=O)N(C)C)c1cnccn1 ZINC000358216901 384697606 /nfs/dbraw/zinc/69/76/06/384697606.db2.gz HUIIAPZMGCNGJE-SNVBAGLBSA-N 0 3 236.319 0.996 20 0 BCADHN C[C@@H]1[C@H](C)N(C)CCN1CCN1CCOCC1 ZINC000357001841 384703570 /nfs/dbraw/zinc/70/35/70/384703570.db2.gz MUUPVKUFIFNHMM-QWHCGFSZSA-N 0 3 241.379 0.343 20 0 BCADHN CC(C)C(NC(=O)C(=O)N[C@H](C)CN)C(C)C ZINC000642788442 384704408 /nfs/dbraw/zinc/70/44/08/384704408.db2.gz SQFYFBWUZHCLAV-SECBINFHSA-N 0 3 243.351 0.247 20 0 BCADHN C[C@@H]1OCC[C@]1(C)NCC(=O)N1CCCC1 ZINC000300368058 384704967 /nfs/dbraw/zinc/70/49/67/384704967.db2.gz OJBRGDWBXMDLIN-JQWIXIFHSA-N 0 3 226.320 0.766 20 0 BCADHN O=C(C[C@@H]1CNCCO1)N[C@@H]1CC12CC2 ZINC000335277274 384708751 /nfs/dbraw/zinc/70/87/51/384708751.db2.gz LXEFXMDWEZYPHD-RKDXNWHRSA-N 0 3 210.277 0.034 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@H](CO)C1CC1 ZINC000309904338 384710736 /nfs/dbraw/zinc/71/07/36/384710736.db2.gz JKZGVPDHBWRLCG-MWLCHTKSSA-N 0 3 249.376 0.418 20 0 BCADHN CCN1CCC(NC(=O)[C@@H](C)NC(C)=O)CC1 ZINC000408042441 384713504 /nfs/dbraw/zinc/71/35/04/384713504.db2.gz LIJLNMISMUVQEE-SECBINFHSA-N 0 3 241.335 0.112 20 0 BCADHN CS[C@@H](CO)[C@@H](C)NCc1c(C)cnn1C ZINC000309921021 384714278 /nfs/dbraw/zinc/71/42/78/384714278.db2.gz RZXLTNOHCJAQFA-KOLCDFICSA-N 0 3 243.376 0.931 20 0 BCADHN CN[C@@H](C)C(=O)N1CCN(C(C)C)CC1 ZINC000054072509 384727706 /nfs/dbraw/zinc/72/77/06/384727706.db2.gz OWBXNWIJZAFBOD-JTQLQIEISA-N 0 3 213.325 0.147 20 0 BCADHN CCOC[C@H](C)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000309918454 384716634 /nfs/dbraw/zinc/71/66/34/384716634.db2.gz QRTFNGIHFPZHGO-UWVGGRQHSA-N 0 3 249.376 0.967 20 0 BCADHN CC[C@H](CCO)CNCc1cncnc1OC ZINC000647191507 384718018 /nfs/dbraw/zinc/71/80/18/384718018.db2.gz RGTSDCKWZBYXTO-SNVBAGLBSA-N 0 3 239.319 0.983 20 0 BCADHN CN1CCC(NC(=O)NCC(C)(C)O)CC1 ZINC000108540270 384719958 /nfs/dbraw/zinc/71/99/58/384719958.db2.gz XAVMLMVCXVYSFA-UHFFFAOYSA-N 0 3 229.324 0.151 20 0 BCADHN Cc1cn[nH]c1CNCC(=O)NC(C)(C)C ZINC000309917433 384721781 /nfs/dbraw/zinc/72/17/81/384721781.db2.gz QFNPZSDKLXWNLZ-UHFFFAOYSA-N 0 3 224.308 0.722 20 0 BCADHN CSC[C@@](C)(O)CNCc1cnc(C)nc1 ZINC000309932435 384721803 /nfs/dbraw/zinc/72/18/03/384721803.db2.gz YPBFISPSKWCTTE-NSHDSACASA-N 0 3 241.360 0.989 20 0 BCADHN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)C(N)=O ZINC000086927153 384721855 /nfs/dbraw/zinc/72/18/55/384721855.db2.gz HXIMHMTUDNGAGX-YUMQZZPRSA-N 0 3 214.309 0.796 20 0 BCADHN Cc1c(CN[C@@H]2CO[C@@H](C)C2)cnn1C ZINC000335426541 384722340 /nfs/dbraw/zinc/72/23/40/384722340.db2.gz XRKAIHMLDSHWLZ-KWQFWETISA-N 0 3 209.293 0.996 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2csnn2)C1 ZINC000105327710 384776666 /nfs/dbraw/zinc/77/66/66/384776666.db2.gz NDVATIQXDJXVGT-MRVPVSSYSA-N 0 3 240.332 0.704 20 0 BCADHN CCOCCN[C@](C)(C(N)=O)C(C)C ZINC000308454631 384728741 /nfs/dbraw/zinc/72/87/41/384728741.db2.gz DISHYSKTVGCXAV-JTQLQIEISA-N 0 3 202.298 0.513 20 0 BCADHN CO[C@H](C)CN1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000361506828 384729927 /nfs/dbraw/zinc/72/99/27/384729927.db2.gz BGLKCSNQMLMFMC-WOPDTQHZSA-N 0 3 229.320 0.901 20 0 BCADHN C[N@@H+]1CCC[C@@H](CN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000518139997 384731052 /nfs/dbraw/zinc/73/10/52/384731052.db2.gz LQIZQRXJVPLMQP-VIFPVBQESA-N 0 3 246.318 0.480 20 0 BCADHN C[N@H+]1CCC[C@@H](CN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000518139997 384731059 /nfs/dbraw/zinc/73/10/59/384731059.db2.gz LQIZQRXJVPLMQP-VIFPVBQESA-N 0 3 246.318 0.480 20 0 BCADHN CO[C@H](C)CN1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000361506827 384731131 /nfs/dbraw/zinc/73/11/31/384731131.db2.gz BGLKCSNQMLMFMC-UTUOFQBUSA-N 0 3 229.320 0.901 20 0 BCADHN COC(=O)c1ccc(CNCC[C@@H](C)O)o1 ZINC000082993054 384735240 /nfs/dbraw/zinc/73/52/40/384735240.db2.gz IWSLFQQQFMMDAU-MRVPVSSYSA-N 0 3 227.260 0.927 20 0 BCADHN Cn1cc([C@H]2CCN([C@@H]3CCOC3)C2)cn1 ZINC000271438892 384737547 /nfs/dbraw/zinc/73/75/47/384737547.db2.gz RLYZVHSAALLERW-CMPLNLGQSA-N 0 3 221.304 0.998 20 0 BCADHN Nc1ncccc1CN1CCC[C@@H](CO)C1 ZINC000052709484 384741572 /nfs/dbraw/zinc/74/15/72/384741572.db2.gz XMQKMSMFUBGOQI-SNVBAGLBSA-N 0 3 221.304 0.868 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000335474419 384742439 /nfs/dbraw/zinc/74/24/39/384742439.db2.gz FJTLZVGOYZSLPU-VHSXEESVSA-N 0 3 212.293 0.361 20 0 BCADHN CO[C@H]1C[C@@H](NCC(=O)NC2CC2)C1(C)C ZINC000300385939 384742731 /nfs/dbraw/zinc/74/27/31/384742731.db2.gz KULGNSGHDAVWKP-ZJUUUORDSA-N 0 3 226.320 0.668 20 0 BCADHN COC[C@@H](O)CN[C@H](CO)c1sccc1C ZINC000309965615 384743338 /nfs/dbraw/zinc/74/33/38/384743338.db2.gz NGMRNDNCVOVQFZ-VHSXEESVSA-N 0 3 245.344 0.687 20 0 BCADHN Cc1cc(CC(=O)NC[C@@H]2CCCN2C)no1 ZINC000531052806 384745718 /nfs/dbraw/zinc/74/57/18/384745718.db2.gz IMYSXXOMPZFRFW-NSHDSACASA-N 0 3 237.303 0.736 20 0 BCADHN CC(C)[C@@H](N)c1cn(CC[C@H](C)O)nn1 ZINC000300962965 384748533 /nfs/dbraw/zinc/74/85/33/384748533.db2.gz REKXFTXJKONBKT-WCBMZHEXSA-N 0 3 212.297 0.705 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1ccon1 ZINC000103116992 384749046 /nfs/dbraw/zinc/74/90/46/384749046.db2.gz RLTBWIWHYLFLND-UHFFFAOYSA-N 0 3 223.276 0.842 20 0 BCADHN CCN(C)CCNC(=O)c1c[nH]c(=S)[nH]1 ZINC000185648463 384750727 /nfs/dbraw/zinc/75/07/27/384750727.db2.gz NILHTYUWUGRDRS-UHFFFAOYSA-N 0 3 228.321 0.380 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NCC2(CO)CC2)C1 ZINC000167471044 384750837 /nfs/dbraw/zinc/75/08/37/384750837.db2.gz NFSNHHSZYYWFFM-ZJUUUORDSA-N 0 3 226.320 0.263 20 0 BCADHN C[C@H](CNC(=O)[C@](C)(N)c1ccccc1)N(C)C ZINC000052882400 384752661 /nfs/dbraw/zinc/75/26/61/384752661.db2.gz TVYWURHOODISPO-BXUZGUMPSA-N 0 3 249.358 0.927 20 0 BCADHN CC(C)Cn1nccc1CN[C@@H](C)CC(N)=O ZINC000647193537 384753894 /nfs/dbraw/zinc/75/38/94/384753894.db2.gz FPGBRYOQXFMPNH-JTQLQIEISA-N 0 3 238.335 0.893 20 0 BCADHN CC[NH2+]CCC[N-]S(=O)(=O)c1ccccn1 ZINC000647193999 384758405 /nfs/dbraw/zinc/75/84/05/384758405.db2.gz MEAYPJXIVLWDSQ-UHFFFAOYSA-N 0 3 243.332 0.360 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cccn2C)[C@H]1C ZINC000262703425 384766764 /nfs/dbraw/zinc/76/67/64/384766764.db2.gz BDUJSJDFDPXNDW-UWVGGRQHSA-N 0 3 221.304 0.848 20 0 BCADHN COc1cc(CNC[C@@H](O)CO)cc(OC)c1 ZINC000083369259 384766900 /nfs/dbraw/zinc/76/69/00/384766900.db2.gz SFOPQUZYAOEALZ-SNVBAGLBSA-N 0 3 241.287 0.147 20 0 BCADHN COC[C@@H](C)NCC(=O)NCC(F)(F)F ZINC000042206858 384768034 /nfs/dbraw/zinc/76/80/34/384768034.db2.gz YDZSPFNWLXMZDV-ZCFIWIBFSA-N 0 3 228.214 0.289 20 0 BCADHN CCOC[C@@H](C)NC[C@H]1CCCCS1(=O)=O ZINC000309986408 384768192 /nfs/dbraw/zinc/76/81/92/384768192.db2.gz YKJHHGCIAKRVBH-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN Cc1ccc(C(=O)N2CCNC(C)(C)C2)c(=O)[nH]1 ZINC000336213081 384768842 /nfs/dbraw/zinc/76/88/42/384768842.db2.gz ZMCUGIUBPJEVRC-UHFFFAOYSA-N 0 3 249.314 0.920 20 0 BCADHN Cc1csc([C@@H]2COCCN2C(=O)CN)n1 ZINC000648157653 384772047 /nfs/dbraw/zinc/77/20/47/384772047.db2.gz DTFBZHXJRAFCMP-QMMMGPOBSA-N 0 3 241.316 0.310 20 0 BCADHN C[C@@H]1CN(CC2(O)CCCC2)CCN1CCO ZINC000426461760 384819529 /nfs/dbraw/zinc/81/95/29/384819529.db2.gz TYSIMKDYILLQLU-GFCCVEGCSA-N 0 3 242.363 0.290 20 0 BCADHN CCN(C)CCNC(=O)[C@@](C)(N)c1ccccc1 ZINC000054133256 384822629 /nfs/dbraw/zinc/82/26/29/384822629.db2.gz XWWAGQDIZFJTRI-AWEZNQCLSA-N 0 3 249.358 0.928 20 0 BCADHN Cn1nccc1CNCCn1cccn1 ZINC000042539458 384823838 /nfs/dbraw/zinc/82/38/38/384823838.db2.gz DYDYIDHERHBCEO-UHFFFAOYSA-N 0 3 205.265 0.406 20 0 BCADHN CCN(CCO)CCNCc1n[nH]cc1C ZINC000289602601 384824371 /nfs/dbraw/zinc/82/43/71/384824371.db2.gz VCOOWJZAKWNLAZ-UHFFFAOYSA-N 0 3 226.324 0.122 20 0 BCADHN CC(C)NC(=O)CN1C[C@H](C(N)=O)CC[C@H]1C ZINC000103285935 384825235 /nfs/dbraw/zinc/82/52/35/384825235.db2.gz RUYZVGIPMWUTQJ-NXEZZACHSA-N 0 3 241.335 0.097 20 0 BCADHN COCCc1nsc(N(C)CCN(C)C)n1 ZINC000176946647 384827127 /nfs/dbraw/zinc/82/71/27/384827127.db2.gz CDGKCDBXYSIKTA-UHFFFAOYSA-N 0 3 244.364 0.725 20 0 BCADHN COC[C@@H](CO)N[C@@H](C)COC(C)C ZINC000308582065 384828567 /nfs/dbraw/zinc/82/85/67/384828567.db2.gz GWUBNFUQAXVVHM-VHSXEESVSA-N 0 3 205.298 0.397 20 0 BCADHN C[C@@H](NCCC1OCCO1)c1cnn(C)c1 ZINC000126908498 384829435 /nfs/dbraw/zinc/82/94/35/384829435.db2.gz ACQIUIUITVFWPC-SECBINFHSA-N 0 3 225.292 0.834 20 0 BCADHN CC[C@H](N)C(=O)NCc1nccn1CC(C)C ZINC000236917082 384831020 /nfs/dbraw/zinc/83/10/20/384831020.db2.gz UHBUMPGDVDTNCS-JTQLQIEISA-N 0 3 238.335 0.893 20 0 BCADHN COC[C@H](O)CN1CCOCC12CCCC2 ZINC000362418755 384831237 /nfs/dbraw/zinc/83/12/37/384831237.db2.gz PSRXIUQLSIHKTE-LLVKDONJSA-N 0 3 229.320 0.639 20 0 BCADHN COC[C@@H](O)CN1CCC[C@@H]1c1cnn(C)c1 ZINC000171973131 384833329 /nfs/dbraw/zinc/83/33/29/384833329.db2.gz GRYDANUOICDJSR-NWDGAFQWSA-N 0 3 239.319 0.564 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@H]1CCN(C2CC2)C1=O ZINC000309737579 384782597 /nfs/dbraw/zinc/78/25/97/384782597.db2.gz CRBJLJJXJKJLCS-LSJOCFKGSA-N 0 3 224.304 0.517 20 0 BCADHN COC[C@@H](CCO)NCc1cn(C)nc1C ZINC000126254329 384783691 /nfs/dbraw/zinc/78/36/91/384783691.db2.gz DLVDVGPEVSQQIK-LLVKDONJSA-N 0 3 227.308 0.216 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NC(C)(C)C(=O)N(C)C ZINC000518772261 384784567 /nfs/dbraw/zinc/78/45/67/384784567.db2.gz GJHRPSFUQGBUEM-MRVPVSSYSA-N 0 3 241.335 0.110 20 0 BCADHN CS[C@@H](CO)[C@@H](C)NCc1cn(C)nc1C ZINC000126252889 384784813 /nfs/dbraw/zinc/78/48/13/384784813.db2.gz RULDVAJGXUQNQQ-KOLCDFICSA-N 0 3 243.376 0.931 20 0 BCADHN Cc1c(CNC[C@]2(O)CCSC2)cnn1C ZINC000126279370 384786868 /nfs/dbraw/zinc/78/68/68/384786868.db2.gz KDLSMXQCORDQKY-LLVKDONJSA-N 0 3 241.360 0.686 20 0 BCADHN COc1ncncc1CN[C@H]1CC[C@H](O)CC1 ZINC000647196101 384786870 /nfs/dbraw/zinc/78/68/70/384786870.db2.gz OWMZHMPCEBYRAQ-XYPYZODXSA-N 0 3 237.303 0.878 20 0 BCADHN CCN(C)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000126296375 384787518 /nfs/dbraw/zinc/78/75/18/384787518.db2.gz FPPDSFGKQQDTTB-UHFFFAOYSA-N 0 3 249.362 0.680 20 0 BCADHN CN(Cc1ccncc1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188800490 384835983 /nfs/dbraw/zinc/83/59/83/384835983.db2.gz YEGYMVVOBNSRIE-WDEREUQCSA-N 0 3 237.278 0.740 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2nnc[nH]2)C1 ZINC000087442813 384793180 /nfs/dbraw/zinc/79/31/80/384793180.db2.gz QATMOWNJTSYPGD-QMMMGPOBSA-N 0 3 223.280 0.019 20 0 BCADHN COC[C@@H](NCc1cnn(C)c1)C1CC1 ZINC000087479428 384794694 /nfs/dbraw/zinc/79/46/94/384794694.db2.gz YRSIJQWHWVQTFE-LLVKDONJSA-N 0 3 209.293 0.935 20 0 BCADHN CN(CCCS(C)(=O)=O)[C@H](CN)C1CC1 ZINC000126712046 384797749 /nfs/dbraw/zinc/79/77/49/384797749.db2.gz AFCJMYZJMXHHKK-SNVBAGLBSA-N 0 3 234.365 0.090 20 0 BCADHN Cc1ncc(CNC(=O)C2(N)CC2)s1 ZINC000083835425 384801350 /nfs/dbraw/zinc/80/13/50/384801350.db2.gz IREZFZFQSCRQGA-UHFFFAOYSA-N 0 3 211.290 0.559 20 0 BCADHN CCN1CCC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000175607591 384806384 /nfs/dbraw/zinc/80/63/84/384806384.db2.gz LZYFMLTWZDYXGF-LLVKDONJSA-N 0 3 236.319 0.553 20 0 BCADHN CC(C)(N)C(=O)NCC(=O)Nc1ccccc1 ZINC000083884071 384807074 /nfs/dbraw/zinc/80/70/74/384807074.db2.gz CVGJWOXJUAGARX-UHFFFAOYSA-N 0 3 235.287 0.479 20 0 BCADHN Cc1nnsc1CNC[C@@H](O)C(C)C ZINC000308561349 384807195 /nfs/dbraw/zinc/80/71/95/384807195.db2.gz FLHIQQBMIRBSIX-MRVPVSSYSA-N 0 3 215.322 0.953 20 0 BCADHN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1cccs1 ZINC000308569078 384810239 /nfs/dbraw/zinc/81/02/39/384810239.db2.gz JFPVBVWVOCWWFQ-ZETCQYMHSA-N 0 3 234.346 0.764 20 0 BCADHN COc1ncncc1CNCCC[C@H](C)CO ZINC000647196707 384811873 /nfs/dbraw/zinc/81/18/73/384811873.db2.gz JUSXSMQRPLTGOW-JTQLQIEISA-N 0 3 239.319 0.983 20 0 BCADHN C[C@H](NC(=O)CN)c1nc2ccccc2n1C ZINC000083908960 384814442 /nfs/dbraw/zinc/81/44/42/384814442.db2.gz RVJAWVDPLLWUBZ-QMMMGPOBSA-N 0 3 232.287 0.709 20 0 BCADHN CC(C)(C)NC(=O)CN1CC[C@](C)(C(N)=O)C1 ZINC000361556467 384872089 /nfs/dbraw/zinc/87/20/89/384872089.db2.gz HPEMBKNRNCTACA-LBPRGKRZSA-N 0 3 241.335 0.098 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)C1=COCCO1 ZINC000186711889 384872535 /nfs/dbraw/zinc/87/25/35/384872535.db2.gz GRQDAZGYJBSWMG-UHFFFAOYSA-N 0 3 240.303 0.427 20 0 BCADHN COC(C)(C)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000368588662 384872780 /nfs/dbraw/zinc/87/27/80/384872780.db2.gz GTYGRAURXSROMK-WDEREUQCSA-N 0 3 240.347 0.964 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1ccon1 ZINC000186750503 384875260 /nfs/dbraw/zinc/87/52/60/384875260.db2.gz LWAINWJSJLQDQK-UHFFFAOYSA-N 0 3 223.276 0.841 20 0 BCADHN CN(CCN(C)C1CC1)CCn1cccn1 ZINC000186744795 384877494 /nfs/dbraw/zinc/87/74/94/384877494.db2.gz ZHQUATKZOBVYST-UHFFFAOYSA-N 0 3 222.336 0.909 20 0 BCADHN CN(CCc1cnccn1)C(=O)C1(N)CCCC1 ZINC000648161566 384878841 /nfs/dbraw/zinc/87/88/41/384878841.db2.gz MAPUQHSULNIEMA-UHFFFAOYSA-N 0 3 248.330 0.749 20 0 BCADHN CO[C@@H](C)CN1CCC[C@@H](N2CCNC2=O)C1 ZINC000374678317 384880163 /nfs/dbraw/zinc/88/01/63/384880163.db2.gz LJLFTDYNPDARBH-WDEREUQCSA-N 0 3 241.335 0.511 20 0 BCADHN CO[C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2)C1 ZINC000234830761 384880473 /nfs/dbraw/zinc/88/04/73/384880473.db2.gz NAJWIPFAMSPABA-DCAQKATOSA-N 0 3 226.320 0.812 20 0 BCADHN CN(C)CC(C)(C)NCc1ncnn1C ZINC000308637263 384881355 /nfs/dbraw/zinc/88/13/55/384881355.db2.gz QFHIKKWPBBMSCA-UHFFFAOYSA-N 0 3 211.313 0.245 20 0 BCADHN O=C1CCN(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)CC1 ZINC000364034198 384882693 /nfs/dbraw/zinc/88/26/93/384882693.db2.gz ZTMMEFSLRSKGFH-XQQFMLRXSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccc(F)cc1F ZINC000051017812 384882916 /nfs/dbraw/zinc/88/29/16/384882916.db2.gz IEZXJJNEVOJQIJ-ZCFIWIBFSA-N 0 3 214.215 0.928 20 0 BCADHN Cc1cnc(C(=O)N2CCN3CCC[C@H]3C2)o1 ZINC000291734188 384841262 /nfs/dbraw/zinc/84/12/62/384841262.db2.gz JYEPRCPKOHWBKR-JTQLQIEISA-N 0 3 235.287 0.903 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)c1cnn(C)c1 ZINC000262652684 384842163 /nfs/dbraw/zinc/84/21/63/384842163.db2.gz AZKMVQZALHSVLQ-LLVKDONJSA-N 0 3 224.308 0.900 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC(C2CC2)C1 ZINC000643763653 384844133 /nfs/dbraw/zinc/84/41/33/384844133.db2.gz DIFGNSMNECPIBK-VIFPVBQESA-N 0 3 225.336 0.988 20 0 BCADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCC(C)(C)C1 ZINC000335064369 384845905 /nfs/dbraw/zinc/84/59/05/384845905.db2.gz GWNFXSPVFSXFGY-VIFPVBQESA-N 0 3 241.335 0.051 20 0 BCADHN Cn1ncnc1CN1CCN(CC2CC2)CC1 ZINC000177036141 384849014 /nfs/dbraw/zinc/84/90/14/384849014.db2.gz KBUDMMNAWZAHNF-UHFFFAOYSA-N 0 3 235.335 0.343 20 0 BCADHN Cn1cccc1CN[C@H]1CC(=O)N(C2CC2)C1 ZINC000174933061 384850671 /nfs/dbraw/zinc/85/06/71/384850671.db2.gz BXYHHVLHOJNRCA-JTQLQIEISA-N 0 3 233.315 0.878 20 0 BCADHN C[C@@H]1CCN(CC(=O)NC(N)=O)[C@H](C)C1 ZINC000077320588 384864160 /nfs/dbraw/zinc/86/41/60/384864160.db2.gz WEGCIGIMJLDPLV-HTQZYQBOSA-N 0 3 213.281 0.302 20 0 BCADHN CCCOCC(=O)NC(C)(C)CN(C)C ZINC000308610562 384865966 /nfs/dbraw/zinc/86/59/66/384865966.db2.gz YNTASRRZNABKFB-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN CO[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000442699400 533094147 /nfs/dbraw/zinc/09/41/47/533094147.db2.gz KTUXFSZKEXCWGO-NXEZZACHSA-N 0 3 216.325 0.724 20 0 BCADHN N[C@H](CC(F)F)C(=O)Nc1cn[nH]c1 ZINC000306438895 384949393 /nfs/dbraw/zinc/94/93/93/384949393.db2.gz MYLFIKZOVLXFOO-RXMQYKEDSA-N 0 3 204.180 0.331 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1ccc(N)cn1 ZINC000156763273 384950830 /nfs/dbraw/zinc/95/08/30/384950830.db2.gz BIDHADVIQUETFB-NSHDSACASA-N 0 3 248.330 0.878 20 0 BCADHN Cc1cc(CNCC[C@@]2(O)CCOC2)on1 ZINC000404186348 384954422 /nfs/dbraw/zinc/95/44/22/384954422.db2.gz JJDPGARUBMRAEX-LLVKDONJSA-N 0 3 226.276 0.614 20 0 BCADHN Cc1cc(CNCC[C@]2(O)CCOC2)on1 ZINC000404186353 384955202 /nfs/dbraw/zinc/95/52/02/384955202.db2.gz JJDPGARUBMRAEX-NSHDSACASA-N 0 3 226.276 0.614 20 0 BCADHN Fc1ccccc1CNC[C@H]1COCCN1 ZINC000258989564 384955323 /nfs/dbraw/zinc/95/53/23/384955323.db2.gz VKUYSDWXFAGUFM-NSHDSACASA-N 0 3 224.279 0.904 20 0 BCADHN C[C@@H](O)CN[C@@H]1CCN(c2ccccc2)C1=O ZINC000644558219 384956663 /nfs/dbraw/zinc/95/66/63/384956663.db2.gz WSCHORSUPNJLKZ-ZYHUDNBSSA-N 0 3 234.299 0.762 20 0 BCADHN COC[C@@H](CCO)NCc1cccc(O)c1 ZINC000164296140 384957899 /nfs/dbraw/zinc/95/78/99/384957899.db2.gz KVIPYDSIXDQJAO-LLVKDONJSA-N 0 3 225.288 0.879 20 0 BCADHN NC1(C(=O)NC[C@H](O)C2CCCCC2)CC1 ZINC000151971583 384891321 /nfs/dbraw/zinc/89/13/21/384891321.db2.gz MBIGETBIUXVUIQ-JTQLQIEISA-N 0 3 226.320 0.535 20 0 BCADHN COC[C@H](CCO)NCc1cccc(O)c1 ZINC000164296255 384957992 /nfs/dbraw/zinc/95/79/92/384957992.db2.gz KVIPYDSIXDQJAO-NSHDSACASA-N 0 3 225.288 0.879 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CC[C@@H](F)C1 ZINC000308650655 384892974 /nfs/dbraw/zinc/89/29/74/384892974.db2.gz KGHDLKXYIRUYBM-IWSPIJDZSA-N 0 3 223.313 0.900 20 0 BCADHN Nc1ccncc1C(=O)NCCN1CCCCC1 ZINC000127413442 384893148 /nfs/dbraw/zinc/89/31/48/384893148.db2.gz KVPAUCGPSMSLFF-UHFFFAOYSA-N 0 3 248.330 0.880 20 0 BCADHN CCN(CC)CC(=O)NCCC1(O)CCC1 ZINC000357133587 384893390 /nfs/dbraw/zinc/89/33/90/384893390.db2.gz AAEYFUULWOEPGC-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)NC1CC1 ZINC000127549110 384893476 /nfs/dbraw/zinc/89/34/76/384893476.db2.gz XSFAMLVIBRIDFH-SNVBAGLBSA-N 0 3 211.309 0.884 20 0 BCADHN C[C@@H](CF)N[C@@H]1CCC(=O)NC1(C)C ZINC000306357368 384893944 /nfs/dbraw/zinc/89/39/44/384893944.db2.gz VPZZCHZXDLFGAJ-JGVFFNPUSA-N 0 3 202.273 0.991 20 0 BCADHN C[C@H](CF)N[C@@H]1CCC(=O)NC1(C)C ZINC000306357367 384894050 /nfs/dbraw/zinc/89/40/50/384894050.db2.gz VPZZCHZXDLFGAJ-HTQZYQBOSA-N 0 3 202.273 0.991 20 0 BCADHN CCCCN1CCCC[C@@H]1CNS(N)(=O)=O ZINC000101923666 384895906 /nfs/dbraw/zinc/89/59/06/384895906.db2.gz MANZSLNRFGPSPC-SNVBAGLBSA-N 0 3 249.380 0.434 20 0 BCADHN CN1CCC(Nc2ccc(C(N)=O)cn2)CC1 ZINC000105999164 384896497 /nfs/dbraw/zinc/89/64/97/384896497.db2.gz FTMRHMQWRYCHDU-UHFFFAOYSA-N 0 3 234.303 0.687 20 0 BCADHN Cc1nnsc1CNCC[C@]1(O)CCOC1 ZINC000404135309 384896604 /nfs/dbraw/zinc/89/66/04/384896604.db2.gz BZJYFCQRYKJQLD-JTQLQIEISA-N 0 3 243.332 0.478 20 0 BCADHN C[C@H](O)CCCN1CC[C@H](OC(=O)N(C)C)C1 ZINC000497307478 384958266 /nfs/dbraw/zinc/95/82/66/384958266.db2.gz VOPKDUKNRMLTJL-QWRGUYRKSA-N 0 3 244.335 0.920 20 0 BCADHN CN(CCN1CCCCC1)Cc1ncnn1C ZINC000080658543 384899194 /nfs/dbraw/zinc/89/91/94/384899194.db2.gz LORHKRZKYPBKID-UHFFFAOYSA-N 0 3 237.351 0.733 20 0 BCADHN CC(C)N1CCN(C(=O)/C=C/CN(C)C)CC1 ZINC000491861382 384904487 /nfs/dbraw/zinc/90/44/87/384904487.db2.gz AMKIUFAVMHFNCR-AATRIKPKSA-N 0 3 239.363 0.657 20 0 BCADHN CCOCCNC(=O)NCCN(CC)C1CC1 ZINC000101979236 384907856 /nfs/dbraw/zinc/90/78/56/384907856.db2.gz RYKKAWSJGFRYGV-UHFFFAOYSA-N 0 3 243.351 0.806 20 0 BCADHN CN(Cc1ccccc1)CC(C)(C)NCC(N)=O ZINC000119008270 384958912 /nfs/dbraw/zinc/95/89/12/384958912.db2.gz MBRUGCYFMOOFCA-UHFFFAOYSA-N 0 3 249.358 0.972 20 0 BCADHN CCN(CC)C(=O)N[C@H](C)CN(C)C ZINC000127662875 384910358 /nfs/dbraw/zinc/91/03/58/384910358.db2.gz YRNLGHPGXWMVFQ-SECBINFHSA-N 0 3 201.314 0.988 20 0 BCADHN C/C=C/C[C@H](CO)NC(=O)[C@H](CC)N(C)C ZINC000187160815 384916283 /nfs/dbraw/zinc/91/62/83/384916283.db2.gz WEFRMYGDCMSOGI-HQVCXTMKSA-N 0 3 228.336 0.770 20 0 BCADHN C[C@@H](CF)NC(=O)N[C@H]1CCCN(C)C1 ZINC000644900424 384919104 /nfs/dbraw/zinc/91/91/04/384919104.db2.gz BJJHQJHDBCXPRJ-IUCAKERBSA-N 0 3 217.288 0.738 20 0 BCADHN C[C@H](N(C)CC(=O)N1CCNC1=O)C1(C)CC1 ZINC000177234630 384922689 /nfs/dbraw/zinc/92/26/89/384922689.db2.gz LRYDAJYNHQXZCZ-VIFPVBQESA-N 0 3 239.319 0.659 20 0 BCADHN CC[C@@H]1C[C@@H](NC(=O)COC2CNC2)CCO1 ZINC000564942494 384925799 /nfs/dbraw/zinc/92/57/99/384925799.db2.gz KYRUZUJMDZIUCO-VHSXEESVSA-N 0 3 242.319 0.049 20 0 BCADHN C[C@@H](O)CNCc1ccc(C(=O)N(C)C)cc1 ZINC000644514875 384928075 /nfs/dbraw/zinc/92/80/75/384928075.db2.gz BFHHPYCGHFKEFC-SNVBAGLBSA-N 0 3 236.315 0.859 20 0 BCADHN COCCNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000085226702 384931480 /nfs/dbraw/zinc/93/14/80/384931480.db2.gz IRWXNPCESLHRQS-QWRGUYRKSA-N 0 3 243.351 0.614 20 0 BCADHN CC(C)(C)n1cc(CNC[C@H](O)CO)cn1 ZINC000085246612 384931680 /nfs/dbraw/zinc/93/16/80/384931680.db2.gz YNIOQJVRLXOGMV-JTQLQIEISA-N 0 3 227.308 0.081 20 0 BCADHN C[C@H](Cn1cncn1)N[C@H](C)c1cnn(C)c1 ZINC000164169719 384931920 /nfs/dbraw/zinc/93/19/20/384931920.db2.gz PCDMANXJSULKGI-NXEZZACHSA-N 0 3 234.307 0.751 20 0 BCADHN CCOCCN1CC[C@H](CN2CCOC2=O)C1 ZINC000497151461 384932083 /nfs/dbraw/zinc/93/20/83/384932083.db2.gz UJUUBOUIOHQGGF-NSHDSACASA-N 0 3 242.319 0.797 20 0 BCADHN CC[C@@H](O)CN[C@@H](C(N)=O)C(C)(C)C ZINC000128203333 384933617 /nfs/dbraw/zinc/93/36/17/384933617.db2.gz UKGVHMQMJZRPQZ-SFYZADRCSA-N 0 3 202.298 0.247 20 0 BCADHN CN1C[C@@H](C(=O)Nc2cccc(CN)c2)CC1=O ZINC000647607297 384935292 /nfs/dbraw/zinc/93/52/92/384935292.db2.gz GZDKUEHSHTVDGA-JTQLQIEISA-N 0 3 247.298 0.562 20 0 BCADHN CCC[C@H](N)C(=O)N(C)[C@H]1CCCCNC1=O ZINC000156705729 384935938 /nfs/dbraw/zinc/93/59/38/384935938.db2.gz IKARIYFDEYBKHW-UWVGGRQHSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C ZINC000156761758 384959991 /nfs/dbraw/zinc/95/99/91/384959991.db2.gz WPKOCPPOASFCJS-OPRDCNLKSA-N 0 3 241.335 0.239 20 0 BCADHN COCCOc1ccc(CNC[C@@H](C)O)cn1 ZINC000644523753 384937239 /nfs/dbraw/zinc/93/72/39/384937239.db2.gz URHWBFSVSZTDMM-SNVBAGLBSA-N 0 3 240.303 0.577 20 0 BCADHN COCCOC[C@@H](O)CNCc1ccoc1C ZINC000644526830 384937843 /nfs/dbraw/zinc/93/78/43/384937843.db2.gz BOFSMXQNNTXWAA-LBPRGKRZSA-N 0 3 243.303 0.702 20 0 BCADHN C[C@@]1(CNC(=O)C2(N)CCCC2)CCOC1 ZINC000336099096 384942812 /nfs/dbraw/zinc/94/28/12/384942812.db2.gz DKIPRVPMCXEJKA-NSHDSACASA-N 0 3 226.320 0.801 20 0 BCADHN C[C@H](Cn1ccnc1)N[C@@H](C)CS(C)(=O)=O ZINC000081900423 384942846 /nfs/dbraw/zinc/94/28/46/384942846.db2.gz QOHDJQZERTWBHR-ZJUUUORDSA-N 0 3 245.348 0.294 20 0 BCADHN COc1cccc(CNC[C@H]2CNCCN2C)c1 ZINC000258883664 384944856 /nfs/dbraw/zinc/94/48/56/384944856.db2.gz JGQVGKDNNYCTQN-CYBMUJFWSA-N 0 3 249.358 0.688 20 0 BCADHN CN(C)CCN(C)C(=O)OCCCF ZINC000497301766 384947233 /nfs/dbraw/zinc/94/72/33/384947233.db2.gz BAZFTXDZEGKOEK-UHFFFAOYSA-N 0 3 206.261 0.976 20 0 BCADHN CN1CCNC[C@@H]1CNCc1cccs1 ZINC000258851176 384947823 /nfs/dbraw/zinc/94/78/23/384947823.db2.gz FZUMQAXINJIOLV-SNVBAGLBSA-N 0 3 225.361 0.741 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088023161 384965399 /nfs/dbraw/zinc/96/53/99/384965399.db2.gz NCNLMOFWYVHODY-CKYFFXLPSA-N 0 3 226.320 0.487 20 0 BCADHN C[C@@H](O)CN[C@@]1(CO)CCc2ccccc21 ZINC000369048575 384967070 /nfs/dbraw/zinc/96/70/70/384967070.db2.gz PKZVRHWPAGXZLP-ZWNOBZJWSA-N 0 3 221.300 0.791 20 0 BCADHN CC[C@@H](O)CN[C@@H]1CCN(C(C)C)C1=O ZINC000644567286 384972117 /nfs/dbraw/zinc/97/21/17/384972117.db2.gz ZQDFJNAKOMQIRG-NXEZZACHSA-N 0 3 214.309 0.356 20 0 BCADHN CCOCC[C@@H](O)CNCc1cc(C)[nH]n1 ZINC000644565428 384973818 /nfs/dbraw/zinc/97/38/18/384973818.db2.gz XTFHDRLMYXYRNR-LLVKDONJSA-N 0 3 227.308 0.595 20 0 BCADHN CCOCC[C@@H](O)CNCc1cc(C)n[nH]1 ZINC000644565428 384973825 /nfs/dbraw/zinc/97/38/25/384973825.db2.gz XTFHDRLMYXYRNR-LLVKDONJSA-N 0 3 227.308 0.595 20 0 BCADHN O=C([C@@H]1CNCCOC1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000643700328 384977834 /nfs/dbraw/zinc/97/78/34/384977834.db2.gz XFQILQQXPYASIQ-GRYCIOLGSA-N 0 3 238.331 0.481 20 0 BCADHN CN1CC[C@](N)(C(=O)N2C[C@@H]3CCC[C@H]3C2)C1 ZINC000643700285 384978042 /nfs/dbraw/zinc/97/80/42/384978042.db2.gz VYLKQSRIKTVZPU-GMXVVIOVSA-N 0 3 237.347 0.278 20 0 BCADHN COC[C@H](O)CNCc1ccns1 ZINC000404416617 384980269 /nfs/dbraw/zinc/98/02/69/384980269.db2.gz OHYBJIBDOYTBIT-SSDOTTSWSA-N 0 3 202.279 0.240 20 0 BCADHN C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)[C@H](C)O ZINC000644583440 384983413 /nfs/dbraw/zinc/98/34/13/384983413.db2.gz CCPMUFNNKSINJV-VGMNWLOBSA-N 0 3 212.293 0.109 20 0 BCADHN CN(CCO)CCNC(=O)OC(C)(C)C ZINC000147931344 384983954 /nfs/dbraw/zinc/98/39/54/384983954.db2.gz BYIPIBLHBIMKQQ-UHFFFAOYSA-N 0 3 218.297 0.435 20 0 BCADHN Cc1ccc(CN[C@H](C)CC(N)=O)cn1 ZINC000129283631 384985241 /nfs/dbraw/zinc/98/52/41/384985241.db2.gz WUSBKICRTFURDI-SECBINFHSA-N 0 3 207.277 0.744 20 0 BCADHN CCC1(CNC(=O)C[C@H]2CNCCO2)CC1 ZINC000226343822 384986705 /nfs/dbraw/zinc/98/67/05/384986705.db2.gz FYNPWVWJLNWZOV-JTQLQIEISA-N 0 3 226.320 0.671 20 0 BCADHN CO[C@H](CNC[C@H](C)S(C)(=O)=O)C(C)C ZINC000644580913 384987201 /nfs/dbraw/zinc/98/72/01/384987201.db2.gz SYPZVQDGYYJKMV-VHSXEESVSA-N 0 3 237.365 0.680 20 0 BCADHN c1cc(CNCCCN2CCOCC2)sn1 ZINC000404430960 384988239 /nfs/dbraw/zinc/98/82/39/384988239.db2.gz IIOAXBZBTQIJSD-UHFFFAOYSA-N 0 3 241.360 0.955 20 0 BCADHN CSC[C@H](O)CN1CCC(CC(N)=O)CC1 ZINC000187830332 384988719 /nfs/dbraw/zinc/98/87/19/384988719.db2.gz GZRWVPRPEUVMFU-SNVBAGLBSA-N 0 3 246.376 0.298 20 0 BCADHN CC[C@@H](O)CN[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000644581536 384988737 /nfs/dbraw/zinc/98/87/37/384988737.db2.gz DMYPTWYLTVWIGE-NXEZZACHSA-N 0 3 228.336 0.746 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000229702799 384991447 /nfs/dbraw/zinc/99/14/47/384991447.db2.gz FOPOQJOGHLCMKF-IONNQARKSA-N 0 3 210.281 0.570 20 0 BCADHN C[C@@H]1C[C@H](O)CN1CCc1cnn(C)c1 ZINC000336552447 384992121 /nfs/dbraw/zinc/99/21/21/384992121.db2.gz GUXHPQIWPNMMQF-KOLCDFICSA-N 0 3 209.293 0.418 20 0 BCADHN Cc1n[nH]cc1CN[C@@H](C)CC[S@](C)=O ZINC000130148561 385022365 /nfs/dbraw/zinc/02/23/65/385022365.db2.gz INFWNXJSYHMBNY-VXJOIVPMSA-N 0 3 229.349 0.965 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000037032660 384994012 /nfs/dbraw/zinc/99/40/12/384994012.db2.gz BMVUFYLUBNNRQK-JTQLQIEISA-N 0 3 235.287 0.390 20 0 BCADHN Cn1ccc(CNC(=O)[C@H]2C[C@H](F)CN2)c1 ZINC000364104480 384995781 /nfs/dbraw/zinc/99/57/81/384995781.db2.gz RCJRIJZMEQNFAG-VHSXEESVSA-N 0 3 225.267 0.341 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCC(C)(O)CC2)C1 ZINC000646905488 385022585 /nfs/dbraw/zinc/02/25/85/385022585.db2.gz RXMMRAMNABFXDO-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H](CC(N)=O)N[C@@H](C)c1cnn(C)c1 ZINC000129454175 384999275 /nfs/dbraw/zinc/99/92/75/384999275.db2.gz SWGYQPVIXXPOJL-YUMQZZPRSA-N 0 3 210.281 0.335 20 0 BCADHN COC[C@@H](O)CCNCc1ccns1 ZINC000404454602 384999687 /nfs/dbraw/zinc/99/96/87/384999687.db2.gz IQOOYPQPVOMYTI-QMMMGPOBSA-N 0 3 216.306 0.630 20 0 BCADHN C[C@@H]1NCCN(C(=O)CCn2cccn2)[C@H]1C ZINC000262712980 385002966 /nfs/dbraw/zinc/00/29/66/385002966.db2.gz CYRRVXZDFQJLOQ-QWRGUYRKSA-N 0 3 236.319 0.482 20 0 BCADHN C[C@H](O)CN[C@H]1CCN(C2CCCCC2)C1=O ZINC000644598921 385003292 /nfs/dbraw/zinc/00/32/92/385003292.db2.gz FQPIYOFUVCNLRV-JQWIXIFHSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@H]1NCCN(C(=O)CCn2cccn2)[C@H]1C ZINC000262712979 385005082 /nfs/dbraw/zinc/00/50/82/385005082.db2.gz CYRRVXZDFQJLOQ-MNOVXSKESA-N 0 3 236.319 0.482 20 0 BCADHN CC[C@@H](N)C(=O)Nc1nc(COC)cs1 ZINC000129469910 385006842 /nfs/dbraw/zinc/00/68/42/385006842.db2.gz QBFPPKJBPLFDGT-SSDOTTSWSA-N 0 3 229.305 0.965 20 0 BCADHN COC(=O)c1ccc(CNCC(C)(C)O)[nH]1 ZINC000086329734 385011851 /nfs/dbraw/zinc/01/18/51/385011851.db2.gz RGWCMBUNLUHZRW-UHFFFAOYSA-N 0 3 226.276 0.662 20 0 BCADHN O=C(N(CC(F)F)C1CC1)[C@@]1(F)CCNC1 ZINC000156897482 385011935 /nfs/dbraw/zinc/01/19/35/385011935.db2.gz KJCSTEMLCZXWES-SNVBAGLBSA-N 0 3 236.237 0.944 20 0 BCADHN CC(C)(C)CCN[C@]1(C(N)=O)CCOC1 ZINC000569351882 385017173 /nfs/dbraw/zinc/01/71/73/385017173.db2.gz QLTVFUHFIMMERJ-LLVKDONJSA-N 0 3 214.309 0.657 20 0 BCADHN Cc1cc(CNC[C@](C)(O)CO)sn1 ZINC000404492264 385019759 /nfs/dbraw/zinc/01/97/59/385019759.db2.gz VQTRRXWEYLWSLE-VIFPVBQESA-N 0 3 216.306 0.284 20 0 BCADHN COC[C@H](C)N1CC[C@H](OC(=O)N(C)C)C1 ZINC000497310975 384962132 /nfs/dbraw/zinc/96/21/32/384962132.db2.gz FIFOHTVANHAKJT-UWVGGRQHSA-N 0 3 230.308 0.794 20 0 BCADHN COC[C@H](C)N1CC[C@@H](OC(=O)N(C)C)C1 ZINC000497310977 384962297 /nfs/dbraw/zinc/96/22/97/384962297.db2.gz FIFOHTVANHAKJT-VHSXEESVSA-N 0 3 230.308 0.794 20 0 BCADHN C[C@H](CO)[C@H](C)NCC(=O)NCC(F)(F)F ZINC000164894529 385049403 /nfs/dbraw/zinc/04/94/03/385049403.db2.gz NNWUUNBNEAPLMP-RQJHMYQMSA-N 0 3 242.241 0.271 20 0 BCADHN CN(C)[C@H]1CCCN(CC(=O)N2CCC2)C1 ZINC000334148054 385052130 /nfs/dbraw/zinc/05/21/30/385052130.db2.gz FQZLMMFHWHIMAX-NSHDSACASA-N 0 3 225.336 0.245 20 0 BCADHN CCOCC[C@@H](O)CNCc1cnn(CC)c1 ZINC000644645941 385053027 /nfs/dbraw/zinc/05/30/27/385053027.db2.gz PITZLULSQAIBBK-GFCCVEGCSA-N 0 3 241.335 0.780 20 0 BCADHN CC[C@@H](O)CNCC1(S(C)(=O)=O)CCCC1 ZINC000644646758 385053273 /nfs/dbraw/zinc/05/32/73/385053273.db2.gz SGUWULOWVDHZKX-SNVBAGLBSA-N 0 3 249.376 0.704 20 0 BCADHN COC[C@H](N[C@@H]1CO[C@H](C)C1)[C@H]1CCCO1 ZINC000647207536 385055875 /nfs/dbraw/zinc/05/58/75/385055875.db2.gz ZPBXXGAHEYDNAQ-NOOOWODRSA-N 0 3 229.320 0.947 20 0 BCADHN CC[C@H](O)CN[C@H]1C[C@@H]2CCCCN2C1=O ZINC000644666531 385083955 /nfs/dbraw/zinc/08/39/55/385083955.db2.gz LAPORNSIEMBHMG-DCAQKATOSA-N 0 3 226.320 0.500 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Cc3ccncc3)[C@@H]2C1 ZINC000646918071 385056528 /nfs/dbraw/zinc/05/65/28/385056528.db2.gz MYOPGMNJZSBUNB-CHWSQXEVSA-N 0 3 245.326 0.787 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cccc(=O)[nH]2)C1 ZINC000646918629 385057092 /nfs/dbraw/zinc/05/70/92/385057092.db2.gz ZVMLIFJBLYSWBO-ONGXEEELSA-N 0 3 247.298 0.563 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCc1cncs1 ZINC000564930264 385057780 /nfs/dbraw/zinc/05/77/80/385057780.db2.gz LZGNOAQWIYRXFV-NXEZZACHSA-N 0 3 228.317 0.689 20 0 BCADHN C[C@@H](O)CNCc1cnnn1-c1ccccc1 ZINC000644652977 385059822 /nfs/dbraw/zinc/05/98/22/385059822.db2.gz FGGFBXGGOUQWTN-SNVBAGLBSA-N 0 3 232.287 0.738 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C2(O)CCCC2)C1 ZINC000646919783 385060978 /nfs/dbraw/zinc/06/09/78/385060978.db2.gz KURMVAOEMQUKPV-QWRGUYRKSA-N 0 3 238.331 0.454 20 0 BCADHN COC(C)(C)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646920583 385061875 /nfs/dbraw/zinc/06/18/75/385061875.db2.gz RYNCCEVPFGIVGX-NXEZZACHSA-N 0 3 226.320 0.574 20 0 BCADHN COC(C)(C)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000646920584 385061950 /nfs/dbraw/zinc/06/19/50/385061950.db2.gz RYNCCEVPFGIVGX-UWVGGRQHSA-N 0 3 226.320 0.574 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3ccn(C)n3)[C@@H]2C1 ZINC000646922862 385062556 /nfs/dbraw/zinc/06/25/56/385062556.db2.gz RAGRDSAYQXKVSD-GXSJLCMTSA-N 0 3 234.303 0.196 20 0 BCADHN Cc1cnc([C@H](C)N2C[C@@H](C)[C@H](C(N)=O)C2)cn1 ZINC000408380002 385065747 /nfs/dbraw/zinc/06/57/47/385065747.db2.gz RZXDBYVTXAVDED-DVVUODLYSA-N 0 3 248.330 0.899 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3=CCOCC3)[C@H]2C1 ZINC000646912488 385066193 /nfs/dbraw/zinc/06/61/93/385066193.db2.gz VQOLKSJNGTVURA-NEPJUHHUSA-N 0 3 236.315 0.496 20 0 BCADHN CCO[C@H](CC)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646913452 385066751 /nfs/dbraw/zinc/06/67/51/385066751.db2.gz GVDFEQVHVXSKMQ-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(Cc1n[nH]c(C)n1)C[C@@H]1CCOC1 ZINC000644658185 385067899 /nfs/dbraw/zinc/06/78/99/385067899.db2.gz XNMSIJUYWZMVCI-JTQLQIEISA-N 0 3 224.308 0.972 20 0 BCADHN Cn1nccc1CNCCN1CCSCC1 ZINC000165114553 385070507 /nfs/dbraw/zinc/07/05/07/385070507.db2.gz NMOQTNBJYSMDDP-UHFFFAOYSA-N 0 3 240.376 0.559 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C2(C)CC2)C1 ZINC000646915678 385070634 /nfs/dbraw/zinc/07/06/34/385070634.db2.gz SNERJAHUKBBAHS-UWVGGRQHSA-N 0 3 208.305 0.949 20 0 BCADHN Cc1cc(CC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)no1 ZINC000646941022 385070800 /nfs/dbraw/zinc/07/08/00/385070800.db2.gz RONJVMVBGOXQKG-PWSUYJOCSA-N 0 3 249.314 0.688 20 0 BCADHN C[C@H](O)CNCc1cccc(S(C)(=O)=O)c1 ZINC000644660546 385072486 /nfs/dbraw/zinc/07/24/86/385072486.db2.gz RMBIXDXHXTWNIO-VIFPVBQESA-N 0 3 243.328 0.561 20 0 BCADHN CC(C)(C)[C@@H](NCCOCC1CC1)C(N)=O ZINC000119349868 385084861 /nfs/dbraw/zinc/08/48/61/385084861.db2.gz CXMIRQQYTZEZCR-JTQLQIEISA-N 0 3 228.336 0.903 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646930742 385073995 /nfs/dbraw/zinc/07/39/95/385073995.db2.gz MPNUEIZVUMPPKE-VXGBXAGGSA-N 0 3 239.363 0.489 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Cc3cc[nH]n3)[C@@H]2C1 ZINC000646933519 385074154 /nfs/dbraw/zinc/07/41/54/385074154.db2.gz FAUZQLPREFWNKJ-MWLCHTKSSA-N 0 3 234.303 0.115 20 0 BCADHN CC(C)[C@@H](O)CN1C[C@H](CO)OC(C)(C)C1 ZINC000300950935 385075068 /nfs/dbraw/zinc/07/50/68/385075068.db2.gz ZNLYFXRKTRQSJZ-MNOVXSKESA-N 0 3 231.336 0.475 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646930739 385075329 /nfs/dbraw/zinc/07/53/29/385075329.db2.gz MPNUEIZVUMPPKE-NEPJUHHUSA-N 0 3 239.363 0.489 20 0 BCADHN CN1CCC(NC(=O)c2cscn2)CC1 ZINC000060313772 385077652 /nfs/dbraw/zinc/07/76/52/385077652.db2.gz IJLMKWIKUUSMCS-UHFFFAOYSA-N 0 3 225.317 0.967 20 0 BCADHN CN(CC1CCS(=O)(=O)CC1)CC(C)(C)O ZINC000407948335 385082157 /nfs/dbraw/zinc/08/21/57/385082157.db2.gz CVAYTCUYKRPLRQ-UHFFFAOYSA-N 0 3 249.376 0.514 20 0 BCADHN CCC1(CNCc2nccn2C)COC1 ZINC000309096295 385025820 /nfs/dbraw/zinc/02/58/20/385025820.db2.gz DZWSISUJWDGDFX-UHFFFAOYSA-N 0 3 209.293 0.936 20 0 BCADHN COC[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC000569352748 385026013 /nfs/dbraw/zinc/02/60/13/385026013.db2.gz CFFLMTYKIIEUCH-GHMZBOCLSA-N 0 3 228.336 0.727 20 0 BCADHN COC[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC000569352749 385026049 /nfs/dbraw/zinc/02/60/49/385026049.db2.gz CFFLMTYKIIEUCH-MNOVXSKESA-N 0 3 228.336 0.727 20 0 BCADHN COC[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC000569352751 385027602 /nfs/dbraw/zinc/02/76/02/385027602.db2.gz CFFLMTYKIIEUCH-WDEREUQCSA-N 0 3 228.336 0.727 20 0 BCADHN CC(C)OCCNC[C@H](C)S(C)(=O)=O ZINC000644621576 385031657 /nfs/dbraw/zinc/03/16/57/385031657.db2.gz LHFUPWCWEDECIW-VIFPVBQESA-N 0 3 223.338 0.434 20 0 BCADHN CC[C@@H](O)CNCc1ccc(OC)cn1 ZINC000644633405 385033787 /nfs/dbraw/zinc/03/37/87/385033787.db2.gz VFPIOAPBOHNGHF-SNVBAGLBSA-N 0 3 210.277 0.951 20 0 BCADHN C[S@](=O)c1cccc(NC(=O)CCN)c1 ZINC000261576352 385034667 /nfs/dbraw/zinc/03/46/67/385034667.db2.gz KHVXUBVBMSKRCI-HNNXBMFYSA-N 0 3 226.301 0.711 20 0 BCADHN CC[C@@H](C)N(CCO)CC(=O)NCCCOC ZINC000310400143 385034884 /nfs/dbraw/zinc/03/48/84/385034884.db2.gz UHXDUTNXPQSQAI-LLVKDONJSA-N 0 3 246.351 0.232 20 0 BCADHN CC[C@@H](O)CNCC1(S(C)(=O)=O)CCC1 ZINC000644636327 385036855 /nfs/dbraw/zinc/03/68/55/385036855.db2.gz HUYREPASQBQXFO-SECBINFHSA-N 0 3 235.349 0.314 20 0 BCADHN C[C@@H](O)CCN[C@H](CS(C)(=O)=O)C1CC1 ZINC000340245757 385042140 /nfs/dbraw/zinc/04/21/40/385042140.db2.gz QVAFTYUAZIOXHP-PSASIEDQSA-N 0 3 235.349 0.170 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cscn1 ZINC000130487008 385044646 /nfs/dbraw/zinc/04/46/46/385044646.db2.gz ZEISPGMKZRIHLS-ZETCQYMHSA-N 0 3 213.306 0.823 20 0 BCADHN CC[C@H]1CN(C)CCN1C(=O)[C@H](C)N(C)C ZINC000647459878 385046205 /nfs/dbraw/zinc/04/62/05/385046205.db2.gz WEHDTCVZKKMYTQ-QWRGUYRKSA-N 0 3 227.352 0.489 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000157009830 385046291 /nfs/dbraw/zinc/04/62/91/385046291.db2.gz MNWWDWRZLAKWSM-SFYZADRCSA-N 0 3 229.324 0.143 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000157009669 385046346 /nfs/dbraw/zinc/04/63/46/385046346.db2.gz MNWWDWRZLAKWSM-YUMQZZPRSA-N 0 3 229.324 0.143 20 0 BCADHN C[C@H](NCCN1C(=O)CCC1=O)c1cccnc1 ZINC000119502774 385111770 /nfs/dbraw/zinc/11/17/70/385111770.db2.gz ZSRKGKVSSOPAHB-JTQLQIEISA-N 0 3 247.298 0.881 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000052009192 385112731 /nfs/dbraw/zinc/11/27/31/385112731.db2.gz BZIAPZCHYXLRNJ-GUBZILKMSA-N 0 3 214.309 0.389 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](C)[C@@H]1C ZINC000177871383 385119467 /nfs/dbraw/zinc/11/94/67/385119467.db2.gz BLLRMSCITBZMGO-GUBZILKMSA-N 0 3 241.335 0.951 20 0 BCADHN CC[C@@H](C(=O)NCc1cc(C)no1)N(C)C ZINC000165409059 385119720 /nfs/dbraw/zinc/11/97/20/385119720.db2.gz LRCIZNXSZQWVTR-JTQLQIEISA-N 0 3 225.292 0.939 20 0 BCADHN CCN(C[C@H]1CCS(=O)(=O)C1)CC(C)(C)O ZINC000408400158 385123584 /nfs/dbraw/zinc/12/35/84/385123584.db2.gz PEJVHVXZGSEXSM-SNVBAGLBSA-N 0 3 249.376 0.514 20 0 BCADHN CO[C@H](CN)C(=O)N(C)CCc1ccncc1 ZINC000227360453 385124223 /nfs/dbraw/zinc/12/42/23/385124223.db2.gz JHVBLVFACSCKQH-LLVKDONJSA-N 0 3 237.303 0.056 20 0 BCADHN C[C@@H](O)CN1CCN(C2CCCC2)CC1 ZINC000052062793 385126982 /nfs/dbraw/zinc/12/69/82/385126982.db2.gz DWXIBXOQVHIRMH-LLVKDONJSA-N 0 3 212.337 0.927 20 0 BCADHN C[C@H]1CCN(CCNS(=O)(=O)CC2CC2)C1 ZINC000530880074 385129144 /nfs/dbraw/zinc/12/91/44/385129144.db2.gz MPWSTPKCFYEFNP-JTQLQIEISA-N 0 3 246.376 0.658 20 0 BCADHN C[C@@H](N)C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000157263633 385129342 /nfs/dbraw/zinc/12/93/42/385129342.db2.gz KIEPVHPSZVOPLY-SSDOTTSWSA-N 0 3 231.259 0.757 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1cccnc1 ZINC000227349994 385130317 /nfs/dbraw/zinc/13/03/17/385130317.db2.gz OFLQSWMEPXBTDH-SNVBAGLBSA-N 0 3 223.276 0.014 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC(C)CC1 ZINC000227341395 385130500 /nfs/dbraw/zinc/13/05/00/385130500.db2.gz DCZXZPSLWYHYJF-VIFPVBQESA-N 0 3 200.282 0.219 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000227350699 385130645 /nfs/dbraw/zinc/13/06/45/385130645.db2.gz FOHUHOONYLUFRG-RYUDHWBXSA-N 0 3 249.314 0.719 20 0 BCADHN CC[NH+](CC)CC(=O)N[C@H](C)c1nnc[n-]1 ZINC000176735917 385142340 /nfs/dbraw/zinc/14/23/40/385142340.db2.gz BAEXVQCTQPZJES-MRVPVSSYSA-N 0 3 225.296 0.324 20 0 BCADHN C[C@H]1[C@H](C(=O)NCCN(C)C)C1(F)F ZINC000359263804 385132877 /nfs/dbraw/zinc/13/28/77/385132877.db2.gz CSRFUNTXBUUXNB-NKWVEPMBSA-N 0 3 206.236 0.565 20 0 BCADHN OC[C@H]1[C@@H]2CN(Cc3ccccn3)C[C@H]12 ZINC000644715433 385132954 /nfs/dbraw/zinc/13/29/54/385132954.db2.gz UYTTWNNKHAUABO-GDNZZTSVSA-N 0 3 204.273 0.752 20 0 BCADHN C(CN1CCCSCC1)N1CCOCC1 ZINC000336348112 385142516 /nfs/dbraw/zinc/14/25/16/385142516.db2.gz FHJHEKJZWKFEFR-UHFFFAOYSA-N 0 3 230.377 0.758 20 0 BCADHN CO[C@H](CN)C(=O)N1CCCCC[C@@H]1C ZINC000227385271 385134884 /nfs/dbraw/zinc/13/48/84/385134884.db2.gz MWASPMYJNTWGPF-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN CCCn1cc(CN2CC[C@@H](C(N)=O)C2)cn1 ZINC000157142009 385085505 /nfs/dbraw/zinc/08/55/05/385085505.db2.gz XSXVKWBLBMYVEW-LLVKDONJSA-N 0 3 236.319 0.600 20 0 BCADHN CCC[C@H](C)CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000245952232 385086287 /nfs/dbraw/zinc/08/62/87/385086287.db2.gz XJEDZFIWMDJWFI-HBNTYKKESA-N 0 3 228.336 0.997 20 0 BCADHN CNC(=O)CCCN(CC(N)=O)C(C)(C)C ZINC000559636400 385090233 /nfs/dbraw/zinc/09/02/33/385090233.db2.gz BBXVEONHFVVXQR-UHFFFAOYSA-N 0 3 229.324 0.098 20 0 BCADHN Cc1nn(C)cc1CNC[C@H]1CC[C@H](O)C1 ZINC000188805685 385090753 /nfs/dbraw/zinc/09/07/53/385090753.db2.gz JZPGLSGGULPURJ-JQWIXIFHSA-N 0 3 223.320 0.979 20 0 BCADHN C[NH+](C)C1(CNC(=O)c2c[n-]nn2)CCC1 ZINC000165263970 385095152 /nfs/dbraw/zinc/09/51/52/385095152.db2.gz HVSCYLSKEMGVMR-UHFFFAOYSA-N 0 3 223.280 0.019 20 0 BCADHN C[NH+](C)C1(CNC(=O)c2cnn[n-]2)CCC1 ZINC000165263970 385095157 /nfs/dbraw/zinc/09/51/57/385095157.db2.gz HVSCYLSKEMGVMR-UHFFFAOYSA-N 0 3 223.280 0.019 20 0 BCADHN C[NH+](C)C1(CNC(=O)c2cn[n-]n2)CCC1 ZINC000165263970 385095161 /nfs/dbraw/zinc/09/51/61/385095161.db2.gz HVSCYLSKEMGVMR-UHFFFAOYSA-N 0 3 223.280 0.019 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000305231165 385095348 /nfs/dbraw/zinc/09/53/48/385095348.db2.gz YFXFHFVJXBDWDC-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CN1CCC[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC000530815892 385097819 /nfs/dbraw/zinc/09/78/19/385097819.db2.gz HETLWSCCXMBBAR-SNVBAGLBSA-N 0 3 236.319 0.410 20 0 BCADHN CNC(=O)CN[C@H](CO)[C@@H](C)c1ccccc1 ZINC000644684386 385099350 /nfs/dbraw/zinc/09/93/50/385099350.db2.gz HLXIUPOTNKTRIS-CMPLNLGQSA-N 0 3 236.315 0.487 20 0 BCADHN Cc1nnsc1CNCC1(C)COC1 ZINC000336685876 385099724 /nfs/dbraw/zinc/09/97/24/385099724.db2.gz LGVLEXBAKWKCAB-UHFFFAOYSA-N 0 3 213.306 0.973 20 0 BCADHN CCCCN(C)CC1(O)CCS(=O)(=O)CC1 ZINC000407949321 385100441 /nfs/dbraw/zinc/10/04/41/385100441.db2.gz QGBNWLMTHFZZNC-UHFFFAOYSA-N 0 3 249.376 0.658 20 0 BCADHN CC(C)CN(C)CC1(O)CCS(=O)(=O)CC1 ZINC000407949948 385101478 /nfs/dbraw/zinc/10/14/78/385101478.db2.gz XCLYKYYVDVPGEG-UHFFFAOYSA-N 0 3 249.376 0.514 20 0 BCADHN CO[C@H](C)CN1CCC[C@H](N2CCOCC2)C1 ZINC000559642221 385102087 /nfs/dbraw/zinc/10/20/87/385102087.db2.gz NKWGLGUGJQQVOT-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN CCSCCNC[C@H]1CCCS1(=O)=O ZINC000129041777 385105338 /nfs/dbraw/zinc/10/53/38/385105338.db2.gz PKGMACDSPMBNCV-SECBINFHSA-N 0 3 237.390 0.906 20 0 BCADHN NS(=O)(=O)C1CCN([C@H]2C=CCCC2)CC1 ZINC000336365587 385183852 /nfs/dbraw/zinc/18/38/52/385183852.db2.gz PNAXKEJSPYKZPK-JTQLQIEISA-N 0 3 244.360 0.848 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)C(C)(C)C ZINC000152497597 385187988 /nfs/dbraw/zinc/18/79/88/385187988.db2.gz JFDAAWGXLNCZOB-LLVKDONJSA-N 0 3 216.325 0.461 20 0 BCADHN C[C@H](CNCc1cnnn1C)Cn1ccnc1 ZINC000530952779 385187981 /nfs/dbraw/zinc/18/79/81/385187981.db2.gz KSVHPOQDMBZYMV-SNVBAGLBSA-N 0 3 234.307 0.438 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)c1cc[nH]c1 ZINC000152529933 385192333 /nfs/dbraw/zinc/19/23/33/385192333.db2.gz SMYOYLAUFRDJLX-LLVKDONJSA-N 0 3 225.292 0.057 20 0 BCADHN Cc1cccnc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647057101 385196947 /nfs/dbraw/zinc/19/69/47/385196947.db2.gz BIPZDDJMOSJSJW-UWVGGRQHSA-N 0 3 237.278 0.820 20 0 BCADHN CCN(C)CCNC(=O)c1cncc(F)c1 ZINC000129892330 385197755 /nfs/dbraw/zinc/19/77/55/385197755.db2.gz GJGXCUKTBJECJD-UHFFFAOYSA-N 0 3 225.267 0.902 20 0 BCADHN CC(C)(CNCc1cn[nH]c1)[C@@]1(O)CCOC1 ZINC000647246893 385145595 /nfs/dbraw/zinc/14/55/95/385145595.db2.gz SSGQSYDLSNUEQE-GFCCVEGCSA-N 0 3 239.319 0.677 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@H](C)Cn1ccnc1 ZINC000165581984 385149274 /nfs/dbraw/zinc/14/92/74/385149274.db2.gz CVVKBIQTHHSSEW-WDEREUQCSA-N 0 3 238.335 0.619 20 0 BCADHN CC(C)[C@](C)(O)CNCc1cnnn1C ZINC000304797346 385151708 /nfs/dbraw/zinc/15/17/08/385151708.db2.gz WTFGIZOEEAWDPV-SNVBAGLBSA-N 0 3 212.297 0.312 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)CC1(CO)CC1 ZINC000491989586 385158489 /nfs/dbraw/zinc/15/84/89/385158489.db2.gz JQJYDOZRKQPCOF-PLNGDYQASA-N 0 3 226.320 0.335 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CC12CC2 ZINC000424316911 385161689 /nfs/dbraw/zinc/16/16/89/385161689.db2.gz GCDOGLGTRFMNEK-SFYZADRCSA-N 0 3 203.307 0.562 20 0 BCADHN CO[C@H](CNC(=O)[C@H](C)N)C(C)(C)C ZINC000119933485 385202478 /nfs/dbraw/zinc/20/24/78/385202478.db2.gz HJOQYVYZXMAYQW-JGVFFNPUSA-N 0 3 202.298 0.511 20 0 BCADHN C[C@H](CC(N)=O)NCc1cnn(C(C)(C)C)c1 ZINC000157407388 385166782 /nfs/dbraw/zinc/16/67/82/385166782.db2.gz HOUUHJLDVZFVLF-SECBINFHSA-N 0 3 238.335 0.992 20 0 BCADHN C[C@H](CC(N)=O)NCc1cnn2ccccc12 ZINC000157408908 385169648 /nfs/dbraw/zinc/16/96/48/385169648.db2.gz PLJGPBYZHFCBRV-SECBINFHSA-N 0 3 232.287 0.688 20 0 BCADHN COC1(C)CCN([C@H]2COC[C@@H]2O)CC1 ZINC000308800684 385171176 /nfs/dbraw/zinc/17/11/76/385171176.db2.gz DNICLSKFJWEBMV-UWVGGRQHSA-N 0 3 215.293 0.247 20 0 BCADHN C[C@H](N)C(=O)Nc1ccn(CC(F)F)n1 ZINC000119869312 385175641 /nfs/dbraw/zinc/17/56/41/385175641.db2.gz GBUUHOGSMTYEOW-YFKPBYRVSA-N 0 3 218.207 0.434 20 0 BCADHN C[C@@H]1[C@@H](CO)CCN1C(=O)C1CCN(C)CC1 ZINC000427816599 385207290 /nfs/dbraw/zinc/20/72/90/385207290.db2.gz IYERXGVSCVECLR-ZYHUDNBSSA-N 0 3 240.347 0.558 20 0 BCADHN Nc1cc2c(nn1)CCN(CCCF)C2 ZINC000308849303 385209008 /nfs/dbraw/zinc/20/90/08/385209008.db2.gz QPKKDJLDYVYHGR-UHFFFAOYSA-N 0 3 210.256 0.777 20 0 BCADHN CC[C@H](N)C(=O)NCCc1nccs1 ZINC000063135419 385212828 /nfs/dbraw/zinc/21/28/28/385212828.db2.gz DXQHXUGOYZALBH-ZETCQYMHSA-N 0 3 213.306 0.539 20 0 BCADHN COCC[C@](C)(O)CNCc1ccccn1 ZINC000172071349 385212877 /nfs/dbraw/zinc/21/28/77/385212877.db2.gz YTMKWFINLIFADX-LBPRGKRZSA-N 0 3 224.304 0.959 20 0 BCADHN CC[C@H](N)C(=O)NCCCCOCCOC ZINC000157574315 385214352 /nfs/dbraw/zinc/21/43/52/385214352.db2.gz QFRXMPGTQUOJED-JTQLQIEISA-N 0 3 232.324 0.283 20 0 BCADHN C[C@H](N[C@@H]1CSC[C@@H]1C)C(=O)NC1CC1 ZINC000308852572 385214985 /nfs/dbraw/zinc/21/49/85/385214985.db2.gz NDGYPCIBZLLZMJ-OYNCUSHFSA-N 0 3 228.361 0.995 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)c1ccccn1 ZINC000152852631 385218920 /nfs/dbraw/zinc/21/89/20/385218920.db2.gz JHTQHYBVSADLCQ-GFCCVEGCSA-N 0 3 237.303 0.124 20 0 BCADHN CCOC[C@H](O)CNCc1cnc(C)s1 ZINC000068951612 385231454 /nfs/dbraw/zinc/23/14/54/385231454.db2.gz DDXRGVKQVNOBNV-SECBINFHSA-N 0 3 230.333 0.939 20 0 BCADHN O=S1(=O)CCC[C@@H](N[C@@H]2CCCOC2)C1 ZINC000068940475 385231554 /nfs/dbraw/zinc/23/15/54/385231554.db2.gz YWTTZGRYEMRHJO-NXEZZACHSA-N 0 3 233.333 0.332 20 0 BCADHN C[C@H](CN[C@@H]1CCCS(=O)(=O)C1)N(C)C ZINC000068940080 385232456 /nfs/dbraw/zinc/23/24/56/385232456.db2.gz NAHUHTJVHGJGCG-NXEZZACHSA-N 0 3 234.365 0.103 20 0 BCADHN C[C@@H]1CC[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000565842490 385234476 /nfs/dbraw/zinc/23/44/76/385234476.db2.gz FHCIMNATGQSWHV-WYUUTHIRSA-N 0 3 240.347 0.556 20 0 BCADHN Cn1cccc1CN1CCC(C(N)=O)CC1 ZINC000153155718 385237069 /nfs/dbraw/zinc/23/70/69/385237069.db2.gz ZXTZDIHKMNJIPS-UHFFFAOYSA-N 0 3 221.304 0.722 20 0 BCADHN CCOC[C@@H](O)CN1CCC(CO)CC1 ZINC000068950033 385237898 /nfs/dbraw/zinc/23/78/98/385237898.db2.gz YMUXPTGWYKMONF-NSHDSACASA-N 0 3 217.309 0.088 20 0 BCADHN CC[N@H+](CC(=O)N[C@H](C)c1nnc[n-]1)C1CC1 ZINC000153180063 385239860 /nfs/dbraw/zinc/23/98/60/385239860.db2.gz XIJZSAGIAZAZOQ-MRVPVSSYSA-N 0 3 237.307 0.466 20 0 BCADHN CC[N@@H+](CC(=O)N[C@H](C)c1nnc[n-]1)C1CC1 ZINC000153180063 385239865 /nfs/dbraw/zinc/23/98/65/385239865.db2.gz XIJZSAGIAZAZOQ-MRVPVSSYSA-N 0 3 237.307 0.466 20 0 BCADHN CCN(CC(=O)N[C@H](C)c1nc[nH]n1)C1CC1 ZINC000153180063 385239870 /nfs/dbraw/zinc/23/98/70/385239870.db2.gz XIJZSAGIAZAZOQ-MRVPVSSYSA-N 0 3 237.307 0.466 20 0 BCADHN CC(C)=CCNC(=O)NC[C@](C)(O)CN(C)C ZINC000190618463 385250803 /nfs/dbraw/zinc/25/08/03/385250803.db2.gz NKZWYRGLCDMIJD-LBPRGKRZSA-N 0 3 243.351 0.564 20 0 BCADHN CC(C)=CCNC(=O)NC[C@@](C)(O)CN(C)C ZINC000190618480 385252275 /nfs/dbraw/zinc/25/22/75/385252275.db2.gz NKZWYRGLCDMIJD-GFCCVEGCSA-N 0 3 243.351 0.564 20 0 BCADHN Cn1ccnc1CNC[C@@H](CO)C1CC1 ZINC000308887251 385252742 /nfs/dbraw/zinc/25/27/42/385252742.db2.gz ULSUMSZSOJEUSU-JTQLQIEISA-N 0 3 209.293 0.528 20 0 BCADHN CO[C@@H](C)CNC(=O)C12CCCN1CCC2 ZINC000368235505 385252767 /nfs/dbraw/zinc/25/27/67/385252767.db2.gz IYSLZDFXFDSKGG-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN Cn1cncc1CN1CCC[C@@H]1CCO ZINC000308897855 385253992 /nfs/dbraw/zinc/25/39/92/385253992.db2.gz SXQZIUQABYPBTH-SNVBAGLBSA-N 0 3 209.293 0.767 20 0 BCADHN O=C(Nc1nnc2ccccn21)[C@@H]1CCCCN1 ZINC000262657720 385254790 /nfs/dbraw/zinc/25/47/90/385254790.db2.gz MADWINUWSFBZAW-VIFPVBQESA-N 0 3 245.286 0.810 20 0 BCADHN Cc1[nH]nc(C(=O)NC[C@@H]2C[C@H](F)CN2)c1C ZINC000647058141 385203978 /nfs/dbraw/zinc/20/39/78/385203978.db2.gz PXIFKRSDPVMCNG-IUCAKERBSA-N 0 3 240.282 0.456 20 0 BCADHN CNCC(=O)NC[C@H](CC(C)C)C(=O)OC ZINC000178606480 385303978 /nfs/dbraw/zinc/30/39/78/385303978.db2.gz QDZUJQZUPLOGRR-VIFPVBQESA-N 0 3 230.308 0.157 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)[C@@H]1COCCO1 ZINC000178597842 385307221 /nfs/dbraw/zinc/30/72/21/385307221.db2.gz FMCPNHQRWCEVHV-NSHDSACASA-N 0 3 244.335 0.200 20 0 BCADHN COC(=O)c1ccc(C(=O)NCCN(C)C)o1 ZINC000131129832 385310861 /nfs/dbraw/zinc/31/08/61/385310861.db2.gz PTSFCOMQFFFTOB-UHFFFAOYSA-N 0 3 240.259 0.358 20 0 BCADHN CC(C)=CCNCc1cn(C)c(=O)n(C)c1=O ZINC000191631276 385310995 /nfs/dbraw/zinc/31/09/95/385310995.db2.gz NWWGYVDJLMKPAW-UHFFFAOYSA-N 0 3 237.303 0.140 20 0 BCADHN CC[C@](C)(NC[C@@H](O)C(C)(C)C)C(N)=O ZINC000308950737 385311132 /nfs/dbraw/zinc/31/11/32/385311132.db2.gz HJGUINDFDMZIAE-KCJUWKMLSA-N 0 3 216.325 0.637 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@@H]1CCCN(C)C1=O ZINC000308964771 385316313 /nfs/dbraw/zinc/31/63/13/385316313.db2.gz UQBNGRNVWZRIIO-OPRDCNLKSA-N 0 3 214.309 0.620 20 0 BCADHN CCC(CC)CNC(=O)C[C@@H]1CNCCO1 ZINC000157962915 385316575 /nfs/dbraw/zinc/31/65/75/385316575.db2.gz QISGXPIDJZYMSY-LLVKDONJSA-N 0 3 228.336 0.917 20 0 BCADHN Cc1csc(=O)n1CCN1CC[C@](C)(O)C1 ZINC000177991095 385317055 /nfs/dbraw/zinc/31/70/55/385317055.db2.gz ZUHSPCHAMVHLLL-NSHDSACASA-N 0 3 242.344 0.675 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@H]1CCC[C@]1(C)CO ZINC000492233283 385321234 /nfs/dbraw/zinc/32/12/34/385321234.db2.gz SPPJTYLNWBEALP-BVKQBWKVSA-N 0 3 240.347 0.772 20 0 BCADHN CC[C@H](NC(=O)[C@H]1CCCCN1)C(=O)OC ZINC000237037175 385260929 /nfs/dbraw/zinc/26/09/29/385260929.db2.gz LLLIATYIGZJLGC-DTWKUNHWSA-N 0 3 228.292 0.196 20 0 BCADHN CC[C@@H](CCO)CNC(=O)N[C@H](C)CN(C)C ZINC000358510705 385262477 /nfs/dbraw/zinc/26/24/77/385262477.db2.gz WUXWYFDHTNCJLW-MNOVXSKESA-N 0 3 245.367 0.644 20 0 BCADHN CN1CCC[C@@H](CNC(=O)C[C@H]2CCOC2)C1 ZINC000569179629 385263862 /nfs/dbraw/zinc/26/38/62/385263862.db2.gz ACLQAVFFEHZKAF-NEPJUHHUSA-N 0 3 240.347 0.871 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](O)c1ccccc1F ZINC000153567869 385265339 /nfs/dbraw/zinc/26/53/39/385265339.db2.gz ASAGUULQHRHHJL-WDEREUQCSA-N 0 3 240.278 0.713 20 0 BCADHN CCCCNC(=O)CN[C@H]1COCC1(C)C ZINC000313066459 385322576 /nfs/dbraw/zinc/32/25/76/385322576.db2.gz OJOSDIQKRQWJRS-JTQLQIEISA-N 0 3 228.336 0.917 20 0 BCADHN COC[C@@H](C)NC(=O)C1(N)CCCCC1 ZINC000019518979 385272195 /nfs/dbraw/zinc/27/21/95/385272195.db2.gz NPMVUBMUQHFIMA-SECBINFHSA-N 0 3 214.309 0.799 20 0 BCADHN COC(=O)CCN1CCC(n2cncn2)CC1 ZINC000157770928 385274137 /nfs/dbraw/zinc/27/41/37/385274137.db2.gz GNFICAGFHYZABG-UHFFFAOYSA-N 0 3 238.291 0.478 20 0 BCADHN Cn1cc(CN2CCC[C@H](C(N)=O)C2)cn1 ZINC000130679580 385274167 /nfs/dbraw/zinc/27/41/67/385274167.db2.gz JVDZYTQXYYJYLX-JTQLQIEISA-N 0 3 222.292 0.117 20 0 BCADHN CCC[C@H]1CN(C(=O)[C@@H](N)C(C)C)CCO1 ZINC000237044054 385274568 /nfs/dbraw/zinc/27/45/68/385274568.db2.gz KBXWUJZQVNPIHM-QWRGUYRKSA-N 0 3 228.336 0.997 20 0 BCADHN CN(C[C@@H]1CCOC1)C(=O)[C@@]1(F)CCNC1 ZINC000364240880 385285715 /nfs/dbraw/zinc/28/57/15/385285715.db2.gz YTVYDZNVTCNTPU-GXSJLCMTSA-N 0 3 230.283 0.183 20 0 BCADHN CCN(CC)CC(=O)NCc1ncoc1C ZINC000157811782 385286336 /nfs/dbraw/zinc/28/63/36/385286336.db2.gz WPLHJTIFGDNJPY-UHFFFAOYSA-N 0 3 225.292 0.941 20 0 BCADHN CN1CC[C@@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC000558033434 385287060 /nfs/dbraw/zinc/28/70/60/385287060.db2.gz OCWGRVFZYYAXCP-CYBMUJFWSA-N 0 3 248.330 0.437 20 0 BCADHN C[C@@H]1CN(C(=O)C[C@H]2CNCCO2)C[C@H](C)O1 ZINC000157806091 385287209 /nfs/dbraw/zinc/28/72/09/385287209.db2.gz CHFSUHYCNFQMPQ-AXFHLTTASA-N 0 3 242.319 0.001 20 0 BCADHN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1ccccn1 ZINC000647311857 385293272 /nfs/dbraw/zinc/29/32/72/385293272.db2.gz QGZCSROPTZNZJL-SECBINFHSA-N 0 3 243.332 0.487 20 0 BCADHN COC[C@H](CCO)N[C@H](C)COC(C)C ZINC000308923596 385293744 /nfs/dbraw/zinc/29/37/44/385293744.db2.gz HQIIKRYRKOHKAP-MNOVXSKESA-N 0 3 219.325 0.787 20 0 BCADHN COC(=O)[C@H](C)CN(C)Cc1ccnc(N)c1 ZINC000191450235 385301681 /nfs/dbraw/zinc/30/16/81/385301681.db2.gz GNDISLBCRJYNFF-SECBINFHSA-N 0 3 237.303 0.905 20 0 BCADHN CCS(=O)(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000364288561 385328916 /nfs/dbraw/zinc/32/89/16/385328916.db2.gz FOLXCJZUPLVBOL-NXEZZACHSA-N 0 3 232.349 0.362 20 0 BCADHN Cc1noc([C@@H]2CCN(C[C@H](C)O)C2)n1 ZINC000407994321 385333441 /nfs/dbraw/zinc/33/34/41/385333441.db2.gz BYAFLXILTXNODZ-IONNQARKSA-N 0 3 211.265 0.548 20 0 BCADHN C[C@H](CNC(=O)c1ccnnc1)N(C)C1CC1 ZINC000131445355 385334589 /nfs/dbraw/zinc/33/45/89/385334589.db2.gz HPPHOIZFSRENQC-SECBINFHSA-N 0 3 234.303 0.689 20 0 BCADHN COc1nccc(CNCC2(O)CCCC2)n1 ZINC000294955518 385335029 /nfs/dbraw/zinc/33/50/29/385335029.db2.gz FQSQZTUBNPGEQT-UHFFFAOYSA-N 0 3 237.303 0.880 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H](CCO)c1ccccc1 ZINC000178133684 385337900 /nfs/dbraw/zinc/33/79/00/385337900.db2.gz MNDSYKREZIRLNB-PWSUYJOCSA-N 0 3 236.315 0.616 20 0 BCADHN CCOC(=O)CC[C@@H](C)NC(=O)[C@@H](C)N ZINC000158068336 385338020 /nfs/dbraw/zinc/33/80/20/385338020.db2.gz UBOPACASHKPYNQ-HTQZYQBOSA-N 0 3 216.281 0.182 20 0 BCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)CO ZINC000407996155 385342051 /nfs/dbraw/zinc/34/20/51/385342051.db2.gz OQPAKBKQCGDXDS-ZJUUUORDSA-N 0 3 214.309 0.215 20 0 BCADHN CN(CCNC(=O)N[C@@H]1CC12CC2)C1CC1 ZINC000425466167 385342445 /nfs/dbraw/zinc/34/24/45/385342445.db2.gz BOFCXDNHSUMDMA-SNVBAGLBSA-N 0 3 223.320 0.932 20 0 BCADHN CC(C(=O)NC[C@H]1C[C@H]1C)S(C)(=O)=O ZINC000407998160 385345213 /nfs/dbraw/zinc/34/52/13/385345213.db2.gz PBCHVXNARZQQJE-GJMOJQLCSA-N 0 3 219.306 0.192 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)c1ccc(F)c(F)c1 ZINC000643983071 385346540 /nfs/dbraw/zinc/34/65/40/385346540.db2.gz JUEVWBIUYGLFGD-JTQLQIEISA-N 0 3 244.241 0.901 20 0 BCADHN CCOCCNC(=O)[C@H]1CNCCC1(F)F ZINC000643979773 385346557 /nfs/dbraw/zinc/34/65/57/385346557.db2.gz LAJWNZAMXAHXAV-MRVPVSSYSA-N 0 3 236.262 0.384 20 0 BCADHN CN1C[C@@H]2CCN(Cc3ncccn3)[C@@H]2C1 ZINC000644733501 385348854 /nfs/dbraw/zinc/34/88/54/385348854.db2.gz MEPHIQPJPKHGCX-WDEREUQCSA-N 0 3 218.304 0.613 20 0 BCADHN CCc1nc(CN2CC[C@H]3CN(C)C[C@@H]32)no1 ZINC000644736631 385389348 /nfs/dbraw/zinc/38/93/48/385389348.db2.gz OXZRTJMODVUVQO-UWVGGRQHSA-N 0 3 236.319 0.768 20 0 BCADHN C[C@H](CNC(=O)CNC[C@H]1CCCO1)C1CC1 ZINC000643982505 385349172 /nfs/dbraw/zinc/34/91/72/385349172.db2.gz NNSQRXOADLERCD-ZYHUDNBSSA-N 0 3 240.347 0.917 20 0 BCADHN O=C(CNCC1CC1)Nc1nnc2ccccn21 ZINC000165405141 385389549 /nfs/dbraw/zinc/38/95/49/385389549.db2.gz LYCJRPQTMKKITR-UHFFFAOYSA-N 0 3 245.286 0.667 20 0 BCADHN CCc1noc(CN2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000644735241 385351418 /nfs/dbraw/zinc/35/14/18/385351418.db2.gz XZOWWCMUQKFZEL-NXEZZACHSA-N 0 3 236.319 0.768 20 0 BCADHN CN1C[C@H]2CCN(Cc3ccon3)[C@@H]2C1 ZINC000644735103 385352049 /nfs/dbraw/zinc/35/20/49/385352049.db2.gz QIYGHIRVDLRVEM-MWLCHTKSSA-N 0 3 207.277 0.811 20 0 BCADHN CCc1noc(CN2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000644735242 385352107 /nfs/dbraw/zinc/35/21/07/385352107.db2.gz XZOWWCMUQKFZEL-UWVGGRQHSA-N 0 3 236.319 0.768 20 0 BCADHN CN1C[C@H]2CCN(Cc3ccon3)[C@H]2C1 ZINC000644735102 385352204 /nfs/dbraw/zinc/35/22/04/385352204.db2.gz QIYGHIRVDLRVEM-KOLCDFICSA-N 0 3 207.277 0.811 20 0 BCADHN COc1ccc(CN[C@@H]2CCC(=O)NC2)cn1 ZINC000158110321 385352261 /nfs/dbraw/zinc/35/22/61/385352261.db2.gz DSUWSSZIUHWOQB-SNVBAGLBSA-N 0 3 235.287 0.458 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)Cn1cccn1 ZINC000262728543 385352814 /nfs/dbraw/zinc/35/28/14/385352814.db2.gz AXQFPTUZEZCXJL-VHSXEESVSA-N 0 3 222.292 0.092 20 0 BCADHN Cn1ccc(CN2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000644734071 385353156 /nfs/dbraw/zinc/35/31/56/385353156.db2.gz QZLLGXRPLMEDOE-ZYHUDNBSSA-N 0 3 220.320 0.556 20 0 BCADHN CN1C[C@H]2CCN(Cc3c[nH]cn3)[C@@H]2C1 ZINC000644733730 385353710 /nfs/dbraw/zinc/35/37/10/385353710.db2.gz LHLXMPGXAYPOBS-MWLCHTKSSA-N 0 3 206.293 0.546 20 0 BCADHN CCC(CC)(NC(=O)[C@@H]1NCC1(C)C)C(N)=O ZINC000643986303 385354145 /nfs/dbraw/zinc/35/41/45/385354145.db2.gz YHZIPTPUVHYRFA-QMMMGPOBSA-N 0 3 241.335 0.145 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@H](O)C2CCC2)C1 ZINC000449845707 385356299 /nfs/dbraw/zinc/35/62/99/385356299.db2.gz RQRZBLHSULGLIA-VXGBXAGGSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cscn1 ZINC000262754879 385356406 /nfs/dbraw/zinc/35/64/06/385356406.db2.gz HIJMCWDUGAUJIO-JGVFFNPUSA-N 0 3 225.317 0.966 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)[C@@H](O)C(C)C ZINC000643988855 385357508 /nfs/dbraw/zinc/35/75/08/385357508.db2.gz PZWJBSDOPUYQPO-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](NC(=O)[C@@H]1NCC1(C)C)c1cnn(C)c1 ZINC000643991111 385358237 /nfs/dbraw/zinc/35/82/37/385358237.db2.gz ILGGSNQAMHLDRH-WPRPVWTQSA-N 0 3 236.319 0.595 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@](C)(O)C(C)C ZINC000309009589 385358673 /nfs/dbraw/zinc/35/86/73/385358673.db2.gz WFYOMCWMBRSBRN-KOLCDFICSA-N 0 3 216.325 0.493 20 0 BCADHN Cc1ccc(C(=O)NC2CCN(C)CC2)c(=O)[nH]1 ZINC000408001641 385358797 /nfs/dbraw/zinc/35/87/97/385358797.db2.gz HFAQGQURXRYKSQ-UHFFFAOYSA-N 0 3 249.314 0.920 20 0 BCADHN C[C@@H]1[C@@H](C)N(C(=O)/C=C\CN(C)C)CCN1C ZINC000492344863 385361173 /nfs/dbraw/zinc/36/11/73/385361173.db2.gz WHLKPZLAEMLHSV-UXFRKABBSA-N 0 3 239.363 0.655 20 0 BCADHN Cc1ccc(CNC[C@@H](O)CO)cc1F ZINC000082375445 385361251 /nfs/dbraw/zinc/36/12/51/385361251.db2.gz QTRQCNFADCSZBO-SNVBAGLBSA-N 0 3 213.252 0.577 20 0 BCADHN C[C@@H]1[C@H](C)N(C(=O)/C=C\CN(C)C)CCN1C ZINC000492344862 385361533 /nfs/dbraw/zinc/36/15/33/385361533.db2.gz WHLKPZLAEMLHSV-PBWNMSGQSA-N 0 3 239.363 0.655 20 0 BCADHN CN(C(=O)[C@@H]1CNCCC1(F)F)[C@@H]1CCOC1 ZINC000643993178 385362888 /nfs/dbraw/zinc/36/28/88/385362888.db2.gz WNUMNZLUFRIGTQ-BDAKNGLRSA-N 0 3 248.273 0.479 20 0 BCADHN C[C@H](N[C@@H]1CCOC1)C1(S(C)(=O)=O)CC1 ZINC000309022170 385365744 /nfs/dbraw/zinc/36/57/44/385365744.db2.gz XUGQRVVWWQWMQZ-DTWKUNHWSA-N 0 3 233.333 0.331 20 0 BCADHN CO[C@H](C)CN(C(=O)[C@@H](C)N)C(C)C ZINC000309024794 385366533 /nfs/dbraw/zinc/36/65/33/385366533.db2.gz ZHFOCIJJSQTEQE-RKDXNWHRSA-N 0 3 202.298 0.606 20 0 BCADHN CC(C)CCN(C)C(=O)CCOC1CNC1 ZINC000644000611 385366969 /nfs/dbraw/zinc/36/69/69/385366969.db2.gz QFVVTUBKLJOSMH-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](N)C(=O)NCCCNc1ccccn1 ZINC000165238266 385367073 /nfs/dbraw/zinc/36/70/73/385367073.db2.gz PUOUFEOEOPKLJD-SECBINFHSA-N 0 3 222.292 0.347 20 0 BCADHN C[C@@H](F)CCN[C@@H](CO)c1cnn(C)c1 ZINC000309025623 385367302 /nfs/dbraw/zinc/36/73/02/385367302.db2.gz ZSXCAAJYVAXCHB-SCZZXKLOSA-N 0 3 215.272 0.791 20 0 BCADHN CC(C)[C@](C)(CO)NCc1cnnn1C ZINC000309025183 385367550 /nfs/dbraw/zinc/36/75/50/385367550.db2.gz ZLGFWHXYVFJHIU-JTQLQIEISA-N 0 3 212.297 0.312 20 0 BCADHN CCC(CC)(CN[C@H]1CCNC1=O)C(=O)OC ZINC000192705032 385368535 /nfs/dbraw/zinc/36/85/35/385368535.db2.gz KYXDOFSDGLJSAJ-VIFPVBQESA-N 0 3 242.319 0.444 20 0 BCADHN CSC[C@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000131977740 385370689 /nfs/dbraw/zinc/37/06/89/385370689.db2.gz PQMKABURZKNEEO-NKWVEPMBSA-N 0 3 239.362 0.287 20 0 BCADHN C[C@@H](O)CN(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000192826608 385371602 /nfs/dbraw/zinc/37/16/02/385371602.db2.gz PJDQCVQJAQNUAN-UTUOFQBUSA-N 0 3 230.352 0.408 20 0 BCADHN C[C@]1(O)CCN(C[C@@H](O)CC(F)(F)F)C1 ZINC000307984273 385373096 /nfs/dbraw/zinc/37/30/96/385373096.db2.gz RITXQJKHHJCNLA-YUMQZZPRSA-N 0 3 227.226 0.756 20 0 BCADHN CN1C[C@@H]2CCCN(Cc3ncnn3C)[C@@H]2C1 ZINC000425537554 385375316 /nfs/dbraw/zinc/37/53/16/385375316.db2.gz WXGUCVGCCLQWQT-WDEREUQCSA-N 0 3 235.335 0.341 20 0 BCADHN CCN(C)C(=O)CN[C@H]1CN(C)C[C@@H]1C ZINC000309040654 385377667 /nfs/dbraw/zinc/37/76/67/385377667.db2.gz LBECLYURHKGURI-UWVGGRQHSA-N 0 3 213.325 0.004 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CN(C)C[C@@H]1C ZINC000309040655 385377751 /nfs/dbraw/zinc/37/77/51/385377751.db2.gz LBECLYURHKGURI-VHSXEESVSA-N 0 3 213.325 0.004 20 0 BCADHN Cc1cncc(NC(=O)[C@H]2C[C@@H](O)CN2)c1 ZINC000168683502 385381673 /nfs/dbraw/zinc/38/16/73/385381673.db2.gz NYLWUMBLIVQXIN-NXEZZACHSA-N 0 3 221.260 0.051 20 0 BCADHN COCCN(C)C(=O)[C@@H]1CNCCC1(F)F ZINC000644019096 385381823 /nfs/dbraw/zinc/38/18/23/385381823.db2.gz DPHSVJXBQQMARG-QMMMGPOBSA-N 0 3 236.262 0.336 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@@H](O)COCC(C)C ZINC000516648726 385382183 /nfs/dbraw/zinc/38/21/83/385382183.db2.gz MLWAFTCAGCXWKO-IJLUTSLNSA-N 0 3 247.335 0.023 20 0 BCADHN C[C@@H]1OCC[C@@H]1NC(=O)[C@H](N)CC(F)F ZINC000309035091 385382323 /nfs/dbraw/zinc/38/23/23/385382323.db2.gz FLKPTSKDGJRDRT-XVMARJQXSA-N 0 3 222.235 0.263 20 0 BCADHN CO[C@H]1CCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000309051873 385384514 /nfs/dbraw/zinc/38/45/14/385384514.db2.gz QERPCXLRIXTQSO-BQBZGAKWSA-N 0 3 222.235 0.216 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N[C@H]1CCCOC1 ZINC000309054871 385385419 /nfs/dbraw/zinc/38/54/19/385385419.db2.gz SHIINZFHGNKSFY-BQBZGAKWSA-N 0 3 222.235 0.264 20 0 BCADHN Cc1ncc(C(=O)NC[C@H]2CCN(C)C2)c(C)n1 ZINC000180144472 385387096 /nfs/dbraw/zinc/38/70/96/385387096.db2.gz FKIXDOGPNLAQHT-LLVKDONJSA-N 0 3 248.330 0.775 20 0 BCADHN CCOCCN[C@@H](COC)[C@H]1CCCO1 ZINC000309041582 385387230 /nfs/dbraw/zinc/38/72/30/385387230.db2.gz LOASBWAGWAPBON-WDEREUQCSA-N 0 3 217.309 0.807 20 0 BCADHN C[C@@H](O)CN(CCO)C[C@@H]1CCCCO1 ZINC000308985227 385325292 /nfs/dbraw/zinc/32/52/92/385325292.db2.gz GINWKLPAWAZOCT-MNOVXSKESA-N 0 3 217.309 0.231 20 0 BCADHN Cc1ccncc1CN1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000377665622 385326226 /nfs/dbraw/zinc/32/62/26/385326226.db2.gz ASSKRKVBHGLGKZ-QWHCGFSZSA-N 0 3 245.326 0.958 20 0 BCADHN C[C@@H](O)CN(CCO)C[C@H]1CCCCO1 ZINC000308985225 385326289 /nfs/dbraw/zinc/32/62/89/385326289.db2.gz GINWKLPAWAZOCT-GHMZBOCLSA-N 0 3 217.309 0.231 20 0 BCADHN CNC(=O)c1cccc(CN(C)C[C@@H](C)O)c1 ZINC000131321111 385326513 /nfs/dbraw/zinc/32/65/13/385326513.db2.gz UYMQSXJDMZZHKZ-SNVBAGLBSA-N 0 3 236.315 0.859 20 0 BCADHN CC[C@@H](CN[C@@H](C)CS(=O)(=O)CC)OC ZINC000308972101 385328524 /nfs/dbraw/zinc/32/85/24/385328524.db2.gz HBIXHVKFDSJIJQ-UWVGGRQHSA-N 0 3 237.365 0.824 20 0 BCADHN C[C@H](N)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000168971060 385397227 /nfs/dbraw/zinc/39/72/27/385397227.db2.gz BQDBPYKGPCJHSL-WCBMZHEXSA-N 0 3 222.292 0.811 20 0 BCADHN CC[C@@H](CO)NC(=O)CN(C)C(C)C ZINC000180888941 385397529 /nfs/dbraw/zinc/39/75/29/385397529.db2.gz ATIMBRJLLCRHNR-VIFPVBQESA-N 0 3 202.298 0.214 20 0 BCADHN CS(=O)(=O)C1CCC(NC2COC2)CC1 ZINC000309076959 385397599 /nfs/dbraw/zinc/39/75/99/385397599.db2.gz LQFJTOICHQOFMP-UHFFFAOYSA-N 0 3 233.333 0.331 20 0 BCADHN CC[NH+](CC)[C@H](C)CNC(=O)c1c[n-]nn1 ZINC000193478164 385398687 /nfs/dbraw/zinc/39/86/87/385398687.db2.gz WMLLILPMTURLRB-MRVPVSSYSA-N 0 3 225.296 0.265 20 0 BCADHN CC[NH+](CC)[C@H](C)CNC(=O)c1cnn[n-]1 ZINC000193478164 385398693 /nfs/dbraw/zinc/39/86/93/385398693.db2.gz WMLLILPMTURLRB-MRVPVSSYSA-N 0 3 225.296 0.265 20 0 BCADHN CC[NH+](CC)[C@H](C)CNC(=O)c1cn[n-]n1 ZINC000193478164 385398697 /nfs/dbraw/zinc/39/86/97/385398697.db2.gz WMLLILPMTURLRB-MRVPVSSYSA-N 0 3 225.296 0.265 20 0 BCADHN COC(=O)[C@H]1CC[C@@H](NCc2cncn2C)C1 ZINC000193494333 385398998 /nfs/dbraw/zinc/39/89/98/385398998.db2.gz NGVUEKSWTIHTJL-VHSXEESVSA-N 0 3 237.303 0.851 20 0 BCADHN CCc1cc(NC(=O)[C@H]2NCC2(C)C)n(C)n1 ZINC000644050828 385402247 /nfs/dbraw/zinc/40/22/47/385402247.db2.gz RPYXZURVZVQEQB-SNVBAGLBSA-N 0 3 236.319 0.919 20 0 BCADHN CC(C)NC(=O)CN[C@H](C)COC(C)C ZINC000309073886 385403515 /nfs/dbraw/zinc/40/35/15/385403515.db2.gz HZNURPYRHHXYMY-SNVBAGLBSA-N 0 3 216.325 0.914 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000644054835 385405825 /nfs/dbraw/zinc/40/58/25/385405825.db2.gz BTZLNGPARJASBE-ZWNOBZJWSA-N 0 3 238.331 0.623 20 0 BCADHN CC[C@@H](CCO)NCc1c(C)cnn1C ZINC000309097165 385407543 /nfs/dbraw/zinc/40/75/43/385407543.db2.gz FJTZLINRKRXYEI-JTQLQIEISA-N 0 3 211.309 0.979 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000307731875 385410582 /nfs/dbraw/zinc/41/05/82/385410582.db2.gz KTMCSDMFLHWPER-BZNPZCIMSA-N 0 3 200.282 0.276 20 0 BCADHN C[C@@H](O)C[C@H]1CCCCN1CC(=O)N1CCC1 ZINC000336711330 385417622 /nfs/dbraw/zinc/41/76/22/385417622.db2.gz PSKBHFGCTAEBTA-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN CN(C)C/C=C\C(=O)N1C[C@H](O)C2(CC2)C1 ZINC000492693309 385418252 /nfs/dbraw/zinc/41/82/52/385418252.db2.gz XPAYLGRUMSQOSU-XOULXFPDSA-N 0 3 224.304 0.088 20 0 BCADHN C=Cn1cc(CN(C)C[C@@H](C)C(=O)NC)cn1 ZINC000194059033 385422057 /nfs/dbraw/zinc/42/20/57/385422057.db2.gz OKTCILVRTGFKGM-SNVBAGLBSA-N 0 3 236.319 0.798 20 0 BCADHN COC[C@@H](O)CN1CCC[C@@H](OCC2CC2)C1 ZINC000364435173 385438830 /nfs/dbraw/zinc/43/88/30/385438830.db2.gz QOPCIIIQJCXGGG-QWHCGFSZSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cn(C)cn2)CN1C1CC1 ZINC000179074673 385439173 /nfs/dbraw/zinc/43/91/73/385439173.db2.gz UAZDSNJQJOCWLV-NXEZZACHSA-N 0 3 248.330 0.775 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000156185712 385439417 /nfs/dbraw/zinc/43/94/17/385439417.db2.gz RCPYMJNMGBSCEB-IUCAKERBSA-N 0 3 240.328 0.995 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)COC(C)(C)C ZINC000182372696 385441032 /nfs/dbraw/zinc/44/10/32/385441032.db2.gz BUAFQOXTBAHVLB-LBPRGKRZSA-N 0 3 246.351 0.230 20 0 BCADHN CC[C@H](NCC(=O)N(C)C)[C@H]1CCCO1 ZINC000182373540 385442382 /nfs/dbraw/zinc/44/23/82/385442382.db2.gz RVGHDYUVVMSBFV-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CO[C@H](CN[C@](C)(C(N)=O)C(C)C)C1CC1 ZINC000400270857 385443193 /nfs/dbraw/zinc/44/31/93/385443193.db2.gz MMBFDKPDDZXULA-PWSUYJOCSA-N 0 3 228.336 0.901 20 0 BCADHN COC(=O)C[C@@H]1CCCN1Cc1cnn(C)c1 ZINC000179130129 385443495 /nfs/dbraw/zinc/44/34/95/385443495.db2.gz DKTOJUGOPQJMHL-NSHDSACASA-N 0 3 237.303 0.948 20 0 BCADHN COc1ccccc1[C@@H](N)CNC(=O)C1(N)CC1 ZINC000644092404 385444145 /nfs/dbraw/zinc/44/41/45/385444145.db2.gz MXDWVFLGTZCOFB-JTQLQIEISA-N 0 3 249.314 0.303 20 0 BCADHN CN(Cc1cccnc1)C[C@@H](O)CN(C)C1CC1 ZINC000289428475 385445044 /nfs/dbraw/zinc/44/50/44/385445044.db2.gz XIHHHFPRBXRSGP-CQSZACIVSA-N 0 3 249.358 0.969 20 0 BCADHN COC(=O)C[C@H]1CCCN1CCn1cccn1 ZINC000179142300 385445379 /nfs/dbraw/zinc/44/53/79/385445379.db2.gz BCZRHHGVCSGTTI-LLVKDONJSA-N 0 3 237.303 0.911 20 0 BCADHN C[C@@H](CN)N(C)C(=O)C(=O)Nc1ccccc1 ZINC000179187987 385450216 /nfs/dbraw/zinc/45/02/16/385450216.db2.gz USMIUTFYFFYMDM-VIFPVBQESA-N 0 3 235.287 0.431 20 0 BCADHN Cc1nn(C)cc1CN1CCC[C@@H](C(N)=O)C1 ZINC000156434596 385450731 /nfs/dbraw/zinc/45/07/31/385450731.db2.gz XERWFSRAMOXHEY-SNVBAGLBSA-N 0 3 236.319 0.426 20 0 BCADHN COCC[C@@H](C)NC(=O)C[C@H]1CSCCN1 ZINC000085614742 134449710 /nfs/dbraw/zinc/44/97/10/134449710.db2.gz MQMCMBUEJAVPOR-ZJUUUORDSA-N 0 3 246.376 0.623 20 0 BCADHN Cn1ccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000156439512 385452834 /nfs/dbraw/zinc/45/28/34/385452834.db2.gz PGLPDWUESPWAER-NSHDSACASA-N 0 3 221.304 0.722 20 0 BCADHN CC(=O)c1ccc(C(=O)NCCCN(C)C)[nH]1 ZINC000170257692 385426975 /nfs/dbraw/zinc/42/69/75/385426975.db2.gz YVICFHRRPKRNRW-UHFFFAOYSA-N 0 3 237.303 0.899 20 0 BCADHN C=Cn1cc(CNCCN(C)CCOC)cn1 ZINC000194352934 385430365 /nfs/dbraw/zinc/43/03/65/385430365.db2.gz RTXGNZKSSFISLN-UHFFFAOYSA-N 0 3 238.335 0.651 20 0 BCADHN CO[C@@H](C)CN1CCCN(C(N)=O)CC1 ZINC000182116192 385431111 /nfs/dbraw/zinc/43/11/11/385431111.db2.gz DRCHVNIBDBADHG-VIFPVBQESA-N 0 3 215.297 0.108 20 0 BCADHN C=Cn1cc(CNC[C@@H]2CN(C)CCO2)cn1 ZINC000194354430 385431088 /nfs/dbraw/zinc/43/10/88/385431088.db2.gz REKVFXZZOBOSCP-GFCCVEGCSA-N 0 3 236.319 0.404 20 0 BCADHN C=Cn1cc(CN[C@](C)(CCO)COC)cn1 ZINC000194355320 385431340 /nfs/dbraw/zinc/43/13/40/385431340.db2.gz PENSGPHIUSMUPA-GFCCVEGCSA-N 0 3 239.319 0.861 20 0 BCADHN C=Cn1cc(CNCC[C@H](O)COC)cn1 ZINC000194404037 385432610 /nfs/dbraw/zinc/43/26/10/385432610.db2.gz CEDZRBLNEZABIR-NSHDSACASA-N 0 3 225.292 0.471 20 0 BCADHN C=Cn1cc(CNC[C@@]2(O)CCOC2)cn1 ZINC000194397108 385432695 /nfs/dbraw/zinc/43/26/95/385432695.db2.gz TYCZBXNVLJQHBA-NSHDSACASA-N 0 3 223.276 0.225 20 0 BCADHN COc1ccc(CNC[C@]2(O)CCOC2)cc1 ZINC000179019556 385434447 /nfs/dbraw/zinc/43/44/47/385434447.db2.gz INGBZQFACYZFFF-CYBMUJFWSA-N 0 3 237.299 0.936 20 0 BCADHN CC[C@@H](NCC(=O)NC1CC1)[C@H]1CCCO1 ZINC000182267197 385435702 /nfs/dbraw/zinc/43/57/02/385435702.db2.gz RYBDTYKXTANFFM-GHMZBOCLSA-N 0 3 226.320 0.812 20 0 BCADHN CC[C@H](N[C@@H](C)C(N)=O)[C@@H]1CCCO1 ZINC000182265463 385435792 /nfs/dbraw/zinc/43/57/92/385435792.db2.gz RZWNUJUGUWWGNV-CIUDSAMLSA-N 0 3 200.282 0.407 20 0 BCADHN CC(C)(C)OC[C@H](O)CN1C[C@H](O)C2(CC2)C1 ZINC000364434191 385436756 /nfs/dbraw/zinc/43/67/56/385436756.db2.gz LPMJMUYDJGPGDG-MNOVXSKESA-N 0 3 243.347 0.619 20 0 BCADHN COC[C@@H](O)CN(C)CCc1ncc(C)s1 ZINC000179473596 385466449 /nfs/dbraw/zinc/46/64/49/385466449.db2.gz IEVIOZVCDMULTE-JTQLQIEISA-N 0 3 244.360 0.933 20 0 BCADHN C[C@H](CNC(=O)C1=COCCO1)N(C)C1CC1 ZINC000171109386 385467907 /nfs/dbraw/zinc/46/79/07/385467907.db2.gz FZDFADXGSADOPC-SECBINFHSA-N 0 3 240.303 0.474 20 0 BCADHN Cc1ocnc1C(=O)NC[C@@H]1CCCN1C ZINC000171100467 385468172 /nfs/dbraw/zinc/46/81/72/385468172.db2.gz VRSROJPTGPBWHD-VIFPVBQESA-N 0 3 223.276 0.807 20 0 BCADHN OCC(CO)NCCSCc1ccccc1 ZINC000390750170 385468824 /nfs/dbraw/zinc/46/88/24/385468824.db2.gz CNWJGYQNXUTVNM-UHFFFAOYSA-N 0 3 241.356 0.863 20 0 BCADHN CC(C)n1cc(CN2CC[C@@H](C(N)=O)C2)cn1 ZINC000179500111 385469521 /nfs/dbraw/zinc/46/95/21/385469521.db2.gz YHDNQCWWNVENTG-LLVKDONJSA-N 0 3 236.319 0.771 20 0 BCADHN CCC[C@H](O)CN[C@@H](C)CS(C)(=O)=O ZINC000162256283 385476505 /nfs/dbraw/zinc/47/65/05/385476505.db2.gz PMAUKXWDZVJCEE-IUCAKERBSA-N 0 3 223.338 0.170 20 0 BCADHN O=C(Nc1ncccc1[O-])[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364560761 385477564 /nfs/dbraw/zinc/47/75/64/385477564.db2.gz MBKZAKJNGVTDAZ-PRHODGIISA-N 0 3 233.271 0.725 20 0 BCADHN CS(=O)(=O)NCCN1CCC[C@H]1C1CC1 ZINC000364580126 385481388 /nfs/dbraw/zinc/48/13/88/385481388.db2.gz RHLGVUGOWGMWTM-JTQLQIEISA-N 0 3 232.349 0.410 20 0 BCADHN Cc1cc(C)n(CCN(C)CCCO)n1 ZINC000282039594 385485729 /nfs/dbraw/zinc/48/57/29/385485729.db2.gz ZTFISUFAYSQLAA-UHFFFAOYSA-N 0 3 211.309 0.814 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CCC[C@H](N(C)C)C1 ZINC000109811355 385487651 /nfs/dbraw/zinc/48/76/51/385487651.db2.gz YFVHXXLYFQRJTB-JQWIXIFHSA-N 0 3 239.363 0.680 20 0 BCADHN C[C@H](N)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000195145880 385460296 /nfs/dbraw/zinc/46/02/96/385460296.db2.gz DDGQHDUBVYXXNA-JTQLQIEISA-N 0 3 248.330 0.645 20 0 BCADHN Cn1nc2c(cc1=O)CN(CC1CC1)CC2 ZINC000156593028 385460417 /nfs/dbraw/zinc/46/04/17/385460417.db2.gz QJIGTTIZTRXJJE-UHFFFAOYSA-N 0 3 219.288 0.548 20 0 BCADHN C[C@H](CNC(=O)[C@H](C)N)N(C)c1ccccc1 ZINC000195157111 385462137 /nfs/dbraw/zinc/46/21/37/385462137.db2.gz VUCLCHVLPXXGBL-MNOVXSKESA-N 0 3 235.331 0.975 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@H](C)COC ZINC000121041005 385463575 /nfs/dbraw/zinc/46/35/75/385463575.db2.gz CVNUQMWIBWKOQJ-VHSXEESVSA-N 0 3 237.365 0.682 20 0 BCADHN CC(C)[C@H](C(=O)Nc1ccnn1C)N(C)C ZINC000110678789 385495647 /nfs/dbraw/zinc/49/56/47/385495647.db2.gz LELZVAMHTSBBTG-SNVBAGLBSA-N 0 3 224.308 0.945 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N1CCCN(C)CC1 ZINC000257747618 385496376 /nfs/dbraw/zinc/49/63/76/385496376.db2.gz ZECUMRTXXLCCBC-GFCCVEGCSA-N 0 3 241.379 0.914 20 0 BCADHN COC(=O)C[C@@H]1CCCN1Cc1cnc[nH]1 ZINC000179891454 385498362 /nfs/dbraw/zinc/49/83/62/385498362.db2.gz KVQZNZRHEBTHCJ-JTQLQIEISA-N 0 3 223.276 0.937 20 0 BCADHN COC(=O)C[C@H]1CCCN1Cc1cnc[nH]1 ZINC000179891465 385498916 /nfs/dbraw/zinc/49/89/16/385498916.db2.gz KVQZNZRHEBTHCJ-SNVBAGLBSA-N 0 3 223.276 0.937 20 0 BCADHN CN(C)C[C@H]1CN(Cc2cnn(C)c2)CCO1 ZINC000171635993 385502982 /nfs/dbraw/zinc/50/29/82/385502982.db2.gz GGDCSPMQPAESQI-LBPRGKRZSA-N 0 3 238.335 0.183 20 0 BCADHN COC(C)(C)C(=O)NC[C@@H]1CCCN1C ZINC000171666126 385505310 /nfs/dbraw/zinc/50/53/10/385505310.db2.gz JHAUKBSKKMDQNQ-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN CCN(CC(=O)NCCC(=O)OC)C(C)C ZINC000194084465 385516358 /nfs/dbraw/zinc/51/63/58/385516358.db2.gz MTZNQKHFBULPME-UHFFFAOYSA-N 0 3 230.308 0.396 20 0 BCADHN COC[C@H](C)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364783836 385516709 /nfs/dbraw/zinc/51/67/09/385516709.db2.gz HWGADMBQUNNWNN-GXSJLCMTSA-N 0 3 228.292 0.596 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cscn3)[C@H]2C1 ZINC000644811834 385517182 /nfs/dbraw/zinc/51/71/82/385517182.db2.gz BDPHEMRSABAJFA-SCZZXKLOSA-N 0 3 237.328 0.919 20 0 BCADHN CCN1CCN(C(=O)[C@H](N)CCC(C)C)CC1 ZINC000257706548 385489835 /nfs/dbraw/zinc/48/98/35/385489835.db2.gz QCJMHIKCPOMUSN-GFCCVEGCSA-N 0 3 241.379 0.914 20 0 BCADHN CN(C)S(=O)(=O)CCCN1C2CCC1CC2 ZINC000590818278 385528793 /nfs/dbraw/zinc/52/87/93/385528793.db2.gz HHFHTPCBHITLCS-UHFFFAOYSA-N 0 3 246.376 0.895 20 0 BCADHN CC(C)OCCN1CCC[C@H](OCCO)C1 ZINC000172296074 385528936 /nfs/dbraw/zinc/52/89/36/385528936.db2.gz QBTXTLBLLGYZQU-LBPRGKRZSA-N 0 3 231.336 0.885 20 0 BCADHN COC[C@@H](C)CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644143306 385530254 /nfs/dbraw/zinc/53/02/54/385530254.db2.gz IWJLKGYFPTVTBC-GUBZILKMSA-N 0 3 232.299 0.475 20 0 BCADHN C[C@H]1[NH2+]CCC[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000643034753 385530188 /nfs/dbraw/zinc/53/01/88/385530188.db2.gz CVHYTWPJRXMDQM-APPZFPTMSA-N 0 3 232.291 0.279 20 0 BCADHN C[C@@H]1[NH2+]CCC[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000643034754 385530199 /nfs/dbraw/zinc/53/01/99/385530199.db2.gz CVHYTWPJRXMDQM-IONNQARKSA-N 0 3 232.291 0.279 20 0 BCADHN CC(C)(C)[C@H](O)CN[C@H](C(N)=O)C(C)(C)C ZINC000309324301 385531176 /nfs/dbraw/zinc/53/11/76/385531176.db2.gz GAIRDLOVPHXHTL-RKDXNWHRSA-N 0 3 230.352 0.883 20 0 BCADHN OCCCN1CCN(CC2CCOCC2)CC1 ZINC000172424973 385531272 /nfs/dbraw/zinc/53/12/72/385531272.db2.gz VGBGCUSXRUGTPY-UHFFFAOYSA-N 0 3 242.363 0.413 20 0 BCADHN CC[C@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)O1 ZINC000644143648 385531808 /nfs/dbraw/zinc/53/18/08/385531808.db2.gz YYVNPJJBCJJMCS-XWLWVQCSSA-N 0 3 244.310 0.760 20 0 BCADHN C[C@@H](CO)[C@@H](C)NCc1cc(C(N)=O)cs1 ZINC000157881402 385532535 /nfs/dbraw/zinc/53/25/35/385532535.db2.gz ARCVQLARYFTALE-JGVFFNPUSA-N 0 3 242.344 0.954 20 0 BCADHN CCOC[C@H](O)CN[C@@H](C)c1cnn(C)c1C ZINC000180614685 385533002 /nfs/dbraw/zinc/53/30/02/385533002.db2.gz HSYMNGDZZSHSMP-GXSJLCMTSA-N 0 3 241.335 0.777 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@H]3CCOC3)[C@@H]2C1 ZINC000644812944 385536992 /nfs/dbraw/zinc/53/69/92/385536992.db2.gz FRLXVHKBDCZSRT-GARJFASQSA-N 0 3 224.304 0.185 20 0 BCADHN CC[C@@](C)(CN[C@@]1(CO)CCOC1)OC ZINC000319043957 385539009 /nfs/dbraw/zinc/53/90/09/385539009.db2.gz LPWXSGLYECTUMJ-WDEREUQCSA-N 0 3 217.309 0.543 20 0 BCADHN CN(C)CCNC(=O)Nc1cccn(C)c1=O ZINC000180686697 385539018 /nfs/dbraw/zinc/53/90/18/385539018.db2.gz BBWILEXVLHZAIN-UHFFFAOYSA-N 0 3 238.291 0.068 20 0 BCADHN COc1cc(C)cc(CNC(=O)[C@@H](C)N)c1 ZINC000157940327 385539194 /nfs/dbraw/zinc/53/91/94/385539194.db2.gz KUJBSWZQPGXLMD-SECBINFHSA-N 0 3 222.288 0.967 20 0 BCADHN CCn1cnc2c1ncnc2N(C)C1CNC1 ZINC000643042083 385548866 /nfs/dbraw/zinc/54/88/66/385548866.db2.gz UACHVNMBXOVCNI-UHFFFAOYSA-N 0 3 232.291 0.254 20 0 BCADHN CC[C@@H](C)NC(=O)CN[C@H](COC)C1CC1 ZINC000183451692 385546921 /nfs/dbraw/zinc/54/69/21/385546921.db2.gz RHIDRIGIYHNIAT-MWLCHTKSSA-N 0 3 228.336 0.916 20 0 BCADHN CCN(C)CCNC(=O)c1cc(C)[nH]c(=O)c1 ZINC000180399338 385521503 /nfs/dbraw/zinc/52/15/03/385521503.db2.gz JNWLBTADSJFRLP-UHFFFAOYSA-N 0 3 237.303 0.777 20 0 BCADHN Cc1nccc(C(=O)NC[C@@H]2C[C@H](F)CN2)n1 ZINC000644141132 385521893 /nfs/dbraw/zinc/52/18/93/385521893.db2.gz JQFHSGXCDNAXOO-IUCAKERBSA-N 0 3 238.266 0.215 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cnccn2)C1 ZINC000644812165 385524365 /nfs/dbraw/zinc/52/43/65/385524365.db2.gz COIMOWAIQRHVBF-ONGXEEELSA-N 0 3 232.287 0.253 20 0 BCADHN CCN(C[C@](C)(O)C(=O)OC)[C@H]1CCOC1 ZINC000309307328 385525454 /nfs/dbraw/zinc/52/54/54/385525454.db2.gz DMGXFJSNJXHRTK-ONGXEEELSA-N 0 3 231.292 0.021 20 0 BCADHN CO[C@H](C)CCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644143045 385526518 /nfs/dbraw/zinc/52/65/18/385526518.db2.gz YBCQZKQRWAAEPN-UTLUCORTSA-N 0 3 232.299 0.618 20 0 BCADHN CCn1nccc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644142389 385526797 /nfs/dbraw/zinc/52/67/97/385526797.db2.gz QUSOOVRDPIFHCW-IUCAKERBSA-N 0 3 240.282 0.333 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)[C@@]12C[C@@H]1CCC2 ZINC000644142411 385527119 /nfs/dbraw/zinc/52/71/19/385527119.db2.gz RZIBQGGBVFCLGY-GMOBBJLQSA-N 0 3 226.295 0.993 20 0 BCADHN Cc1ncc(C(=O)N(C)CCN(C)C)c(C)n1 ZINC000180511005 385527536 /nfs/dbraw/zinc/52/75/36/385527536.db2.gz SHJFMWLYWJSJCI-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN C[C@@H](CC(=O)N(C)C)N[C@@H](CO)CC(F)F ZINC000309315884 385527559 /nfs/dbraw/zinc/52/75/59/385527559.db2.gz CZNOIKAYQSPKDZ-JGVFFNPUSA-N 0 3 238.278 0.459 20 0 BCADHN CN(CCCO)CCc1nccs1 ZINC000157847843 385527920 /nfs/dbraw/zinc/52/79/20/385527920.db2.gz UIDAXOPVWQPDCY-UHFFFAOYSA-N 0 3 200.307 1.000 20 0 BCADHN COCC[C@H](COC)NCc1c[nH]nc1C ZINC000309423378 385577510 /nfs/dbraw/zinc/57/75/10/385577510.db2.gz YGWIVOJTPJFVCC-LLVKDONJSA-N 0 3 227.308 0.859 20 0 BCADHN O=C1CO[C@@H]2CCN(CCCCCF)C[C@@H]2N1 ZINC000368501625 385575899 /nfs/dbraw/zinc/57/58/99/385575899.db2.gz BXUHUADCHDYHDL-WDEREUQCSA-N 0 3 244.310 0.716 20 0 BCADHN CN(CCc1cnccn1)C(=O)[C@@H]1NCC1(C)C ZINC000644152496 385551198 /nfs/dbraw/zinc/55/11/98/385551198.db2.gz SDMNLNWHIFBQEJ-NSHDSACASA-N 0 3 248.330 0.476 20 0 BCADHN C[C@@H](CC1CC1)NC(=O)[C@@]1(F)CCNC1 ZINC000158179216 385553646 /nfs/dbraw/zinc/55/36/46/385553646.db2.gz JFFFETALXPZNGP-GZMMTYOYSA-N 0 3 214.284 0.993 20 0 BCADHN C[C@@H](CO)N1CCCN(Cc2cc[nH]n2)CC1 ZINC000364973768 385554249 /nfs/dbraw/zinc/55/42/49/385554249.db2.gz MQMGEOUQLRYZTD-NSHDSACASA-N 0 3 238.335 0.298 20 0 BCADHN COC[C@H](C)N1CCC[C@@H](C(=O)OC)C1 ZINC000228227100 385556869 /nfs/dbraw/zinc/55/68/69/385556869.db2.gz IRIJREKQYZEPDQ-VHSXEESVSA-N 0 3 215.293 0.906 20 0 BCADHN CCN1CC[C@@H](NC(=O)C=Cc2c[nH]cn2)C1 ZINC000493297430 385560041 /nfs/dbraw/zinc/56/00/41/385560041.db2.gz DJAYQKRHNXNUDI-PGLGOXFNSA-N 0 3 234.303 0.633 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCNC(=O)C[C@H]1C ZINC000365004815 385561212 /nfs/dbraw/zinc/56/12/12/385561212.db2.gz BAWWTVDEDBWOLO-SKDRFNHKSA-N 0 3 241.335 0.241 20 0 BCADHN CC(C)[C@H](CO)O[N-]C(=O)/C=C\C[NH+](C)C ZINC000493314231 385561750 /nfs/dbraw/zinc/56/17/50/385561750.db2.gz CRROWCTZIYSQCI-OMMCCPJFSA-N 0 3 230.308 0.169 20 0 BCADHN C[C@H](N[C@@H]1CN(C)C[C@H]1C)C(=O)NCCF ZINC000309397163 385562127 /nfs/dbraw/zinc/56/21/27/385562127.db2.gz GTBUIJFOTGQBBM-KXUCPTDWSA-N 0 3 231.315 0.000 20 0 BCADHN CC(C)NS(=O)(=O)N1CCC[C@@H](N(C)C)C1 ZINC000408142023 385562286 /nfs/dbraw/zinc/56/22/86/385562286.db2.gz OGVYVILWMVDRRT-SNVBAGLBSA-N 0 3 249.380 0.255 20 0 BCADHN CCN(CCNS(C)(=O)=O)C(C)C ZINC000107300199 385563204 /nfs/dbraw/zinc/56/32/04/385563204.db2.gz XRTDCADBRSSLRZ-UHFFFAOYSA-N 0 3 208.327 0.266 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644815177 385564770 /nfs/dbraw/zinc/56/47/70/385564770.db2.gz OTGSWPALSTYCBD-ZNSHCXBVSA-N 0 3 208.305 0.805 20 0 BCADHN Cc1c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cnn1C ZINC000644815595 385570149 /nfs/dbraw/zinc/57/01/49/385570149.db2.gz QSDCHPJFKSRZMK-ZYHUDNBSSA-N 0 3 248.330 0.505 20 0 BCADHN C=Cn1cc(CNC[C@@H](O)COCC)cn1 ZINC000309422916 385577315 /nfs/dbraw/zinc/57/73/15/385577315.db2.gz LOJFDBIPQGWYKV-LLVKDONJSA-N 0 3 225.292 0.471 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H]1CCCOC1 ZINC000054075663 385594034 /nfs/dbraw/zinc/59/40/34/385594034.db2.gz TZLZRVLPEVXWHR-IUCAKERBSA-N 0 3 200.282 0.137 20 0 BCADHN CN[C@@H](C)C(=O)N(C)Cc1cccnc1 ZINC000054072321 385596249 /nfs/dbraw/zinc/59/62/49/385596249.db2.gz OJHIWJMHSNIBIP-VIFPVBQESA-N 0 3 207.277 0.648 20 0 BCADHN CCN1C[C@@H](N[C@H](COC)C2CC2)CC1=O ZINC000391512981 385600456 /nfs/dbraw/zinc/60/04/56/385600456.db2.gz OZIRLEAZLNOILG-WDEREUQCSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](NC[C@H](O)C(F)F)[C@H]1CCCO1 ZINC000336675987 385600629 /nfs/dbraw/zinc/60/06/29/385600629.db2.gz BZJHABYVHYGVQS-BIIVOSGPSA-N 0 3 209.236 0.770 20 0 BCADHN COC(=O)[C@@H]1CN(Cc2cnc[nH]2)C[C@H]1C ZINC000280757494 385600732 /nfs/dbraw/zinc/60/07/32/385600732.db2.gz NXRBQPYQTSVPFC-PSASIEDQSA-N 0 3 223.276 0.651 20 0 BCADHN Cc1cccnc1C(=O)N[C@H](CO)CN(C)C ZINC000647710512 385604763 /nfs/dbraw/zinc/60/47/63/385604763.db2.gz DBDVJSKZLRZCDT-JTQLQIEISA-N 0 3 237.303 0.042 20 0 BCADHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1nc[nH]n1 ZINC000269552509 385606782 /nfs/dbraw/zinc/60/67/82/385606782.db2.gz OOZAJCMPZAYPIX-UWVGGRQHSA-N 0 3 249.318 0.504 20 0 BCADHN CN(CC(=O)N1CCCC1)C[C@H]1CCCOC1 ZINC000107800342 385585621 /nfs/dbraw/zinc/58/56/21/385585621.db2.gz SGKUEXYNORKYJB-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN CC(C)[C@@](C)(CO)NCC(=O)N1CCCC1 ZINC000336649045 385587083 /nfs/dbraw/zinc/58/70/83/385587083.db2.gz CYYREDBFRLLPGD-GFCCVEGCSA-N 0 3 228.336 0.605 20 0 BCADHN COC(=O)[C@@H](C)N(C)CCN1CCCC1 ZINC000063052306 385587142 /nfs/dbraw/zinc/58/71/42/385587142.db2.gz HOVOHGUYBJLJKT-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN COC(=O)C(C)(C)CCNC[C@H](O)C(F)F ZINC000309454852 385588580 /nfs/dbraw/zinc/58/85/80/385588580.db2.gz MCLBVTPTJQSRLN-ZETCQYMHSA-N 0 3 239.262 0.791 20 0 BCADHN CN(C)CCNC(=O)Nc1ccc(F)nc1 ZINC000181630465 385588805 /nfs/dbraw/zinc/58/88/05/385588805.db2.gz OKEDVJLAGFKVRB-UHFFFAOYSA-N 0 3 226.255 0.904 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000036871755 385588925 /nfs/dbraw/zinc/58/89/25/385588925.db2.gz HIXLDNLIWAFXSU-YIZRAAEISA-N 0 3 200.282 0.360 20 0 BCADHN CO[C@@H](C)CCC(=O)NC[C@@](C)(O)CN(C)C ZINC000184121994 385613892 /nfs/dbraw/zinc/61/38/92/385613892.db2.gz LYOCFXWWSNRFQD-CMPLNLGQSA-N 0 3 246.351 0.230 20 0 BCADHN Cc1nnccc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644820797 385616066 /nfs/dbraw/zinc/61/60/66/385616066.db2.gz ZVMTWEOBVDGFII-CMPLNLGQSA-N 0 3 246.314 0.561 20 0 BCADHN C[C@H](O)CN1CCN(CC2(C)COC2)[C@H](C)C1 ZINC000337357270 385617627 /nfs/dbraw/zinc/61/76/27/385617627.db2.gz CSVYYAJEQLLQAC-NEPJUHHUSA-N 0 3 242.363 0.410 20 0 BCADHN COC(C)(C)CN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000309489706 385618916 /nfs/dbraw/zinc/61/89/16/385618916.db2.gz WRNZEMWZOYUHDA-QMMMGPOBSA-N 0 3 225.292 0.846 20 0 BCADHN CN1CCC(O)(CNC(=O)NC(C)(C)C)CC1 ZINC000336523520 385619207 /nfs/dbraw/zinc/61/92/07/385619207.db2.gz JPVXWSFSGVGWLR-UHFFFAOYSA-N 0 3 243.351 0.541 20 0 BCADHN Cn1cccc1CN[C@@H](CO)[C@H]1CCCO1 ZINC000309499245 385623425 /nfs/dbraw/zinc/62/34/25/385623425.db2.gz LAORUQSDMQZWEQ-NWDGAFQWSA-N 0 3 224.304 0.655 20 0 BCADHN CNS(=O)(=O)C1CCN(CC2CC2)CC1 ZINC000334749600 385624000 /nfs/dbraw/zinc/62/40/00/385624000.db2.gz REYWWMUBVCCVKA-UHFFFAOYSA-N 0 3 232.349 0.410 20 0 BCADHN CC[C@@H](COC)NC(=O)C(N)C(F)(F)F ZINC000309497712 385625328 /nfs/dbraw/zinc/62/53/28/385625328.db2.gz UFWTYFKWQVVCGQ-NTSWFWBYSA-N 0 3 228.214 0.417 20 0 BCADHN CC[C@H](C)N(C)CCNS(=O)(=O)CC ZINC000067118828 385626816 /nfs/dbraw/zinc/62/68/16/385626816.db2.gz BWNQEZITGNYIFJ-VIFPVBQESA-N 0 3 222.354 0.656 20 0 BCADHN COC[C@@H](C)CN1CCNC[C@@H]1C(F)F ZINC000309607756 259672846 /nfs/dbraw/zinc/67/28/46/259672846.db2.gz YJOYGKSDVLTLAN-DTWKUNHWSA-N 0 3 222.279 0.808 20 0 BCADHN CC(C)N1CCCN(Cc2nccc(N)n2)CC1 ZINC000269713564 385628429 /nfs/dbraw/zinc/62/84/29/385628429.db2.gz QYJZVRFBGYKYRH-UHFFFAOYSA-N 0 3 249.362 0.975 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(C)C2)CO1 ZINC000645202095 385630107 /nfs/dbraw/zinc/63/01/07/385630107.db2.gz NHQWNLGYWMKPBB-OUAUKWLOSA-N 0 3 241.335 0.557 20 0 BCADHN CC(C)N(C[C@H]1COCCO1)[C@H]1CCOC1 ZINC000451052812 385634732 /nfs/dbraw/zinc/63/47/32/385634732.db2.gz XCKRXPXFKSZRNF-RYUDHWBXSA-N 0 3 229.320 0.901 20 0 BCADHN CN(CCO)C(=O)[C@@H]1CCCN1C1CCCC1 ZINC000340061276 385609382 /nfs/dbraw/zinc/60/93/82/385609382.db2.gz HZVNQAGTEORTKZ-LBPRGKRZSA-N 0 3 240.347 0.844 20 0 BCADHN CN1CCC(C(=O)N[C@@H]2CCOC2)CC1 ZINC000337446812 385664338 /nfs/dbraw/zinc/66/43/38/385664338.db2.gz GFIFWVYVJISEMH-SNVBAGLBSA-N 0 3 212.293 0.233 20 0 BCADHN CC(C)(C)[C@H](CCO)NCC(=O)N1CCC1 ZINC000336681884 385640925 /nfs/dbraw/zinc/64/09/25/385640925.db2.gz RURWLTSKKNMOAM-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN O=C1N[C@H]2CCN(Cc3cnc[nH]3)C[C@@H]2CO1 ZINC000281180104 385642467 /nfs/dbraw/zinc/64/24/67/385642467.db2.gz AWDYMDPTLABPDM-SCZZXKLOSA-N 0 3 236.275 0.340 20 0 BCADHN CC[C@@H](C(=O)NCCc1nnc(C)[nH]1)N(C)C ZINC000269890869 385645220 /nfs/dbraw/zinc/64/52/20/385645220.db2.gz BKFDBOSDJYOOJF-VIFPVBQESA-N 0 3 239.323 0.112 20 0 BCADHN Cc1nnccc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000269906896 385647178 /nfs/dbraw/zinc/64/71/78/385647178.db2.gz BJSWOPVLAFDZSY-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN C[C@@H](NCCN1CCNC1=O)c1cn[nH]c1 ZINC000309517051 385649447 /nfs/dbraw/zinc/64/94/47/385649447.db2.gz YYWBQMXVEJYWRO-MRVPVSSYSA-N 0 3 223.280 0.086 20 0 BCADHN C[C@H](N[C@@H](C)[C@@H]1CCOC1)c1ncnn1C ZINC000309517009 385649654 /nfs/dbraw/zinc/64/96/54/385649654.db2.gz YYOAGBXTXMBFON-LPEHRKFASA-N 0 3 224.308 0.891 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)n(C)n1 ZINC000644823325 385649841 /nfs/dbraw/zinc/64/98/41/385649841.db2.gz NNKAKADWQNDXES-ZYHUDNBSSA-N 0 3 248.330 0.505 20 0 BCADHN C/C=C(\C)C(=O)NC[C@](C)(O)CN(C)C ZINC000269943009 385650084 /nfs/dbraw/zinc/65/00/84/385650084.db2.gz UHJVIMLTDZXZSH-LAHYYIKRSA-N 0 3 214.309 0.381 20 0 BCADHN CCN(CC)CC(=O)NCC[C@H]1CCOC1 ZINC000337423709 385654926 /nfs/dbraw/zinc/65/49/26/385654926.db2.gz VRTGNNSOJXTBGL-NSHDSACASA-N 0 3 228.336 0.871 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)Cc3ccoc3)[C@@H]2C1 ZINC000644818462 385655950 /nfs/dbraw/zinc/65/59/50/385655950.db2.gz NKTVQWPFZOSIQS-NWDGAFQWSA-N 0 3 234.299 0.985 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H](CO)c1cnn(C)c1 ZINC000252732641 385656237 /nfs/dbraw/zinc/65/62/37/385656237.db2.gz WDDBYZNLLVOQLI-IQJOONFLSA-N 0 3 227.308 0.467 20 0 BCADHN CCN(C)CCNC(=O)[C@H]1CCOC1 ZINC000066948917 385656587 /nfs/dbraw/zinc/65/65/87/385656587.db2.gz UGWPVXUMODTQRT-VIFPVBQESA-N 0 3 200.282 0.091 20 0 BCADHN C[C@@H](NC(=O)[C@]1(F)CCNC1)C1CC1 ZINC000307138915 385658747 /nfs/dbraw/zinc/65/87/47/385658747.db2.gz AKGPKWCZNOOOIL-XCBNKYQSSA-N 0 3 200.257 0.603 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCCCF ZINC000308156557 385660213 /nfs/dbraw/zinc/66/02/13/385660213.db2.gz ULGOJQZJTMHYDB-QMMMGPOBSA-N 0 3 211.302 0.759 20 0 BCADHN CC(C)[C@@H](O)CN1C[C@H]2OCCN(C)[C@H]2C1 ZINC000366595883 385661403 /nfs/dbraw/zinc/66/14/03/385661403.db2.gz WLGHCDLJDBRGPK-SDDRHHMPSA-N 0 3 228.336 0.018 20 0 BCADHN CSC[C@@H](O)CN(C)C1CC(O)C1 ZINC000308156432 385661529 /nfs/dbraw/zinc/66/15/29/385661529.db2.gz BCAJNLZPXROSDS-HACHORDNSA-N 0 3 205.323 0.165 20 0 BCADHN C[C@H](O)CN1CCN(C[C@@H]2CCCO2)[C@H](C)C1 ZINC000337441266 385662757 /nfs/dbraw/zinc/66/27/57/385662757.db2.gz ZPEPOTFZNHZVTA-AGIUHOORSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@H](O)CN1CCN(C[C@H]2CCCO2)[C@H](C)C1 ZINC000337441268 385662861 /nfs/dbraw/zinc/66/28/61/385662861.db2.gz ZPEPOTFZNHZVTA-FRRDWIJNSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@H](Cn1cccn1)N[C@@H]1CCCNC1=O ZINC000309529164 385663562 /nfs/dbraw/zinc/66/35/62/385663562.db2.gz DBCOVQASSXGXJF-NXEZZACHSA-N 0 3 222.292 0.140 20 0 BCADHN CC(=O)NCCCNCc1cnc(C)nc1 ZINC000309537948 385671900 /nfs/dbraw/zinc/67/19/00/385671900.db2.gz DEEYPTSODXHQQG-UHFFFAOYSA-N 0 3 222.292 0.401 20 0 BCADHN C[C@@H](CNC(=O)c1cccc(=O)n1C)N(C)C ZINC000270131380 385674135 /nfs/dbraw/zinc/67/41/35/385674135.db2.gz MSKMQEGVHCQENT-VIFPVBQESA-N 0 3 237.303 0.065 20 0 BCADHN CCN(CCO)CCNCc1cnc(C)s1 ZINC000184539771 385674947 /nfs/dbraw/zinc/67/49/47/385674947.db2.gz HUKXURZXIDVHCS-UHFFFAOYSA-N 0 3 243.376 0.855 20 0 BCADHN COC1(C)CN(C[C@H](O)CN(C)C2CC2)C1 ZINC000357434696 385676533 /nfs/dbraw/zinc/67/65/33/385676533.db2.gz FOARENBBTOVGBQ-LLVKDONJSA-N 0 3 228.336 0.162 20 0 BCADHN CCN(CC)CC(=O)N1CC(C)(OC)C1 ZINC000337471316 385677029 /nfs/dbraw/zinc/67/70/29/385677029.db2.gz RGASXQCDJXRJDN-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN COC[C@@H](O)CNCc1cn(C(C)C)nc1C ZINC000281528085 385679098 /nfs/dbraw/zinc/67/90/98/385679098.db2.gz YJIQNVVRCGUHJM-LBPRGKRZSA-N 0 3 241.335 0.869 20 0 BCADHN C[C@H](C(N)=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000305809639 385680904 /nfs/dbraw/zinc/68/09/04/385680904.db2.gz LJOKBQFTNITQJT-KXUCPTDWSA-N 0 3 214.309 0.343 20 0 BCADHN CC(C)[C@H](C)NC(=O)[C@]1(F)CCNC1 ZINC000307363170 385684323 /nfs/dbraw/zinc/68/43/23/385684323.db2.gz HIEJEIXOLUFUEQ-WPRPVWTQSA-N 0 3 202.273 0.849 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)[C@H]1C ZINC000309542453 385684510 /nfs/dbraw/zinc/68/45/10/385684510.db2.gz YSNIRFXRMQPPGR-WCABBAIRSA-N 0 3 214.284 0.945 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](COC)C1 ZINC000337490892 385688791 /nfs/dbraw/zinc/68/87/91/385688791.db2.gz FCMTVUYIECPKLO-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CCCCN(CCO)C(=O)CN(CC)CC ZINC000337514647 385693025 /nfs/dbraw/zinc/69/30/25/385693025.db2.gz YBQBZXWNVPCFAB-UHFFFAOYSA-N 0 3 230.352 0.949 20 0 BCADHN CC[C@H](O)CNCc1cccc(C(N)=O)c1 ZINC000229962992 385693289 /nfs/dbraw/zinc/69/32/89/385693289.db2.gz INCFZZGHQGQFOH-NSHDSACASA-N 0 3 222.288 0.646 20 0 BCADHN CCN(CC[C@@H]1CCS(=O)(=O)C1)[C@@H](C)CO ZINC000645233575 385694545 /nfs/dbraw/zinc/69/45/45/385694545.db2.gz SIOYEVPYGPCUHZ-WDEREUQCSA-N 0 3 249.376 0.514 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H](O)C(F)F ZINC000337534527 385696942 /nfs/dbraw/zinc/69/69/42/385696942.db2.gz VDRZFJNAAOTUBY-SSDOTTSWSA-N 0 3 224.251 0.070 20 0 BCADHN CCN(CC)CC(=O)NC[C@H](O)C(F)F ZINC000337534528 385697055 /nfs/dbraw/zinc/69/70/55/385697055.db2.gz VDRZFJNAAOTUBY-ZETCQYMHSA-N 0 3 224.251 0.070 20 0 BCADHN COC[C@@H](NCC1(S(C)(=O)=O)CC1)C(C)C ZINC000309566849 385697383 /nfs/dbraw/zinc/69/73/83/385697383.db2.gz MKQSSVAKHJHTRJ-SNVBAGLBSA-N 0 3 249.376 0.824 20 0 BCADHN COC1CCN(C(=O)[C@@H]2NCC2(C)C)CC1 ZINC000645263035 385698318 /nfs/dbraw/zinc/69/83/18/385698318.db2.gz IXIJTFPJXMIKMK-JTQLQIEISA-N 0 3 226.320 0.622 20 0 BCADHN Cc1ccsc1[C@H](CO)N[C@H](C)CC(N)=O ZINC000336735582 385705663 /nfs/dbraw/zinc/70/56/63/385705663.db2.gz IBSBVTPWZXQKQM-BDAKNGLRSA-N 0 3 242.344 0.943 20 0 BCADHN CN(C)CCN(C)C(=O)c1cccc(=O)n1C ZINC000270450115 385708311 /nfs/dbraw/zinc/70/83/11/385708311.db2.gz RWQTULDQFYGCCU-UHFFFAOYSA-N 0 3 237.303 0.019 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H](O)C[C@@H]1C ZINC000337566409 385710006 /nfs/dbraw/zinc/71/00/06/385710006.db2.gz QTEJIPPABUBBPD-VHSXEESVSA-N 0 3 214.309 0.310 20 0 BCADHN COC[C@H](O)CN[C@@H](C)c1cccc(CO)c1 ZINC000270483952 385711864 /nfs/dbraw/zinc/71/18/64/385711864.db2.gz LGATZISBWMFSAI-GXFFZTMASA-N 0 3 239.315 0.837 20 0 BCADHN C[C@@H](N[C@H]1Cc2cccc(O)c2C1)C(N)=O ZINC000309588367 385713144 /nfs/dbraw/zinc/71/31/44/385713144.db2.gz SWXVZGJTUGOSJX-APPZFPTMSA-N 0 3 220.272 0.323 20 0 BCADHN CCN1CC[C@@H](NCc2cc(C)n(C)n2)C1 ZINC000414545393 385715102 /nfs/dbraw/zinc/71/51/02/385715102.db2.gz FTSRCESTISAEJC-LLVKDONJSA-N 0 3 222.336 0.912 20 0 BCADHN CCN(CC)CC(=O)N(C)[C@@H](C)C(=O)OC ZINC000337580218 385715703 /nfs/dbraw/zinc/71/57/03/385715703.db2.gz ZNGCXUPVRDOSNP-VIFPVBQESA-N 0 3 230.308 0.348 20 0 BCADHN CN(CCOCCO)C[C@@H](O)C1CCCCC1 ZINC000337454989 385666900 /nfs/dbraw/zinc/66/69/00/385666900.db2.gz OSRSKOZXMVGWPZ-CYBMUJFWSA-N 0 3 245.363 0.868 20 0 BCADHN CN(CCOCCO)C[C@H](O)C1CCCCC1 ZINC000337454990 385670445 /nfs/dbraw/zinc/67/04/45/385670445.db2.gz OSRSKOZXMVGWPZ-ZDUSSCGKSA-N 0 3 245.363 0.868 20 0 BCADHN CC(C)CCNC(=O)CCOC1CNC1 ZINC000336691632 385729106 /nfs/dbraw/zinc/72/91/06/385729106.db2.gz WYOPFMSWNUUIOB-UHFFFAOYSA-N 0 3 214.309 0.527 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1C(=O)NCC[C@@H]1C ZINC000289924871 385732522 /nfs/dbraw/zinc/73/25/22/385732522.db2.gz SPCBHIHFIHYEPG-XVKPBYJWSA-N 0 3 222.292 0.332 20 0 BCADHN CCS(=O)(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000129195248 385736454 /nfs/dbraw/zinc/73/64/54/385736454.db2.gz AJPDAJIGQOGBCK-MNOVXSKESA-N 0 3 246.376 0.752 20 0 BCADHN C[C@@H](CNc1ncnc2n[nH]cc21)N(C)C ZINC000309602943 385737506 /nfs/dbraw/zinc/73/75/06/385737506.db2.gz XZPPMUXICRTUDY-ZETCQYMHSA-N 0 3 220.280 0.715 20 0 BCADHN Cc1cn[nH]c1CN[C@@H](C)C[S@](C)=O ZINC000336654790 385739545 /nfs/dbraw/zinc/73/95/45/385739545.db2.gz MWQCNDNEYPCEAR-RTHLEPHNSA-N 0 3 215.322 0.575 20 0 BCADHN C/C=C/C[C@@H](CO)NCc1ccnn1C ZINC000185827689 385741203 /nfs/dbraw/zinc/74/12/03/385741203.db2.gz IJEDJESBSVGHCM-FSIBCCDJSA-N 0 3 209.293 0.837 20 0 BCADHN CS[C@@H](CO)[C@H](C)NC(=O)/C=C/CN(C)C ZINC000270768640 385741698 /nfs/dbraw/zinc/74/16/98/385741698.db2.gz SSEUUCAQGIQESH-QEBMPYFUSA-N 0 3 246.376 0.333 20 0 BCADHN COC[C@@H](CC(C)C)N[C@@H]1CCS(=O)(=O)C1 ZINC000309616659 385744542 /nfs/dbraw/zinc/74/45/42/385744542.db2.gz CZLLFHUGWNYWNM-GHMZBOCLSA-N 0 3 249.376 0.824 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CSC[C@@H]1C ZINC000336696708 385745715 /nfs/dbraw/zinc/74/57/15/385745715.db2.gz ULFDDOSOCUARKD-DTWKUNHWSA-N 0 3 216.350 0.806 20 0 BCADHN Cc1ccc(NC(=O)CO)c(CN(C)C)c1 ZINC000270827787 385748728 /nfs/dbraw/zinc/74/87/28/385748728.db2.gz SMKMOVCYTNGMQM-UHFFFAOYSA-N 0 3 222.288 0.987 20 0 BCADHN CC[C@@H](COC)N[C@H]1CCCN(C)C1=O ZINC000336736766 385749229 /nfs/dbraw/zinc/74/92/29/385749229.db2.gz PQLMHKWDLZWRLC-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@H]1CN(Cc2cnn(C)c2C)C[C@H]1O ZINC000270842030 385751314 /nfs/dbraw/zinc/75/13/14/385751314.db2.gz FHHGGCKHYBXZFR-CMPLNLGQSA-N 0 3 223.320 0.931 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCOC1)N1CCCC1 ZINC000521409295 385751376 /nfs/dbraw/zinc/75/13/76/385751376.db2.gz IXGVEYJYWONDPO-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN COC[C@@H](O)CN[C@@H](CO)c1ccsc1 ZINC000336656639 385786601 /nfs/dbraw/zinc/78/66/01/385786601.db2.gz AKSZOIGQIDIDJR-UWVGGRQHSA-N 0 3 231.317 0.378 20 0 BCADHN Cc1nccn1CCN[C@@H](C(N)=O)C(C)(C)C ZINC000270874304 385756324 /nfs/dbraw/zinc/75/63/24/385756324.db2.gz MHIWPLZXAMOHQG-JTQLQIEISA-N 0 3 238.335 0.681 20 0 BCADHN CC[C@@H](O)CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000645263605 385756461 /nfs/dbraw/zinc/75/64/61/385756461.db2.gz QHMNCWFMUPFFQS-MWLCHTKSSA-N 0 3 243.351 0.539 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](C)c1ncon1 ZINC000270881114 385756820 /nfs/dbraw/zinc/75/68/20/385756820.db2.gz AJBRXTIZGSUHGH-QMMMGPOBSA-N 0 3 226.280 0.587 20 0 BCADHN CCc1nc(CN2CC[C@@H](CO)[C@@H]2CC)n[nH]1 ZINC000451257924 385759188 /nfs/dbraw/zinc/75/91/88/385759188.db2.gz QOODPFLZBGFGSE-UWVGGRQHSA-N 0 3 238.335 0.960 20 0 BCADHN CC[C@H](NCC[C@@H](O)COC)c1nccn1C ZINC000183415719 385760188 /nfs/dbraw/zinc/76/01/88/385760188.db2.gz RPCVLNYMWMCBBM-MNOVXSKESA-N 0 3 241.335 0.858 20 0 BCADHN C[C@@H](CSc1nncn1C)N(C)C ZINC000308256580 385762191 /nfs/dbraw/zinc/76/21/91/385762191.db2.gz KZTNPMCJHUOQBZ-ZETCQYMHSA-N 0 3 200.311 0.857 20 0 BCADHN Cn1nccc1CCN1CCC[C@@](C)(O)C1 ZINC000230887112 385762215 /nfs/dbraw/zinc/76/22/15/385762215.db2.gz VHPCUHVOBROVEB-GFCCVEGCSA-N 0 3 223.320 0.809 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccc(C)nc1 ZINC000062055542 385762460 /nfs/dbraw/zinc/76/24/60/385762460.db2.gz NZAOAEDXCWOUMH-VIFPVBQESA-N 0 3 207.277 0.614 20 0 BCADHN Cn1nccc1CCN1CCC(C)(O)CC1 ZINC000230886970 385763357 /nfs/dbraw/zinc/76/33/57/385763357.db2.gz WXZWJOIDKBYNOK-UHFFFAOYSA-N 0 3 223.320 0.809 20 0 BCADHN Cc1c(CN2CCCN(C)CC2)cnn1C ZINC000270976394 385763816 /nfs/dbraw/zinc/76/38/16/385763816.db2.gz BGGQXFVQKJHWQI-UHFFFAOYSA-N 0 3 222.336 0.866 20 0 BCADHN Cc1noc(CCCNCc2ncc[nH]2)n1 ZINC000309645649 385767782 /nfs/dbraw/zinc/76/77/82/385767782.db2.gz QFZPLFCUSVTYAR-UHFFFAOYSA-N 0 3 221.264 0.824 20 0 BCADHN COC[C@H](O)CNCc1cnccc1N(C)C ZINC000282591650 385773216 /nfs/dbraw/zinc/77/32/16/385773216.db2.gz GYFBTFOCGGCOKJ-LLVKDONJSA-N 0 3 239.319 0.245 20 0 BCADHN CNC(=O)CNC1CCN(CC(F)F)CC1 ZINC000309663646 385774483 /nfs/dbraw/zinc/77/44/83/385774483.db2.gz SJDPRCGMLBZORM-UHFFFAOYSA-N 0 3 235.278 0.052 20 0 BCADHN C[C@@H](NC[C@H]1CC[C@@H](CO)O1)c1ccnn1C ZINC000293975975 385777379 /nfs/dbraw/zinc/77/73/79/385777379.db2.gz BBRXJZNALIMPKF-MXWKQRLJSA-N 0 3 239.319 0.611 20 0 BCADHN CCOC(=O)C[C@@](C)(NCC(N)=O)C(C)C ZINC000186669541 385777883 /nfs/dbraw/zinc/77/78/83/385777883.db2.gz MTQDVCCAPCCIJZ-LLVKDONJSA-N 0 3 230.308 0.429 20 0 BCADHN Cc1cnccc1CNC(=O)[C@@H]1C[C@@H]1N ZINC000335284301 385780744 /nfs/dbraw/zinc/78/07/44/385780744.db2.gz HHKGNSQJFSBHSJ-ZJUUUORDSA-N 0 3 205.261 0.353 20 0 BCADHN CC[C@H](N)C(=O)N[C@](C)(CC)C(=O)OC ZINC000336740031 385781227 /nfs/dbraw/zinc/78/12/27/385781227.db2.gz LWWYJYGWURQDCP-OIBJUYFYSA-N 0 3 216.281 0.182 20 0 BCADHN CN(CCO)Cc1ccc2c(c1)ncn2C ZINC000259021947 385781436 /nfs/dbraw/zinc/78/14/36/385781436.db2.gz NYMRALVPZYVDFH-UHFFFAOYSA-N 0 3 219.288 0.997 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@@H]1CCCOCC1 ZINC000336690164 385719905 /nfs/dbraw/zinc/71/99/05/385719905.db2.gz WHSDTAOHOXGNKK-NXEZZACHSA-N 0 3 246.376 0.752 20 0 BCADHN COC[C@](C)(CC(=O)OC)NC[C@@H](C)OC ZINC000309591545 385720282 /nfs/dbraw/zinc/72/02/82/385720282.db2.gz UXJUJQXCPQMRNU-KOLCDFICSA-N 0 3 233.308 0.579 20 0 BCADHN COC(=O)C1=C(C)O[C@@H](CN(C)CCCO)C1 ZINC000281999691 385723118 /nfs/dbraw/zinc/72/31/18/385723118.db2.gz XJLOOTMXQSEASO-SNVBAGLBSA-N 0 3 243.303 0.537 20 0 BCADHN CCN(CCOCCO)CCn1cccn1 ZINC000282020260 385725783 /nfs/dbraw/zinc/72/57/83/385725783.db2.gz KGHSXLVXBFUYDE-UHFFFAOYSA-N 0 3 227.308 0.214 20 0 BCADHN C[C@@H]1OCC[C@@H]1NC(=O)/C=C/CN(C)C ZINC000271190702 385799541 /nfs/dbraw/zinc/79/95/41/385799541.db2.gz VXNASEYHDLYGEU-AWAZDUCLSA-N 0 3 212.293 0.398 20 0 BCADHN C[C@H](Cn1cccn1)N[C@@H]1CC(=O)N(C)C1 ZINC000336737586 385805796 /nfs/dbraw/zinc/80/57/96/385805796.db2.gz JPUYSWUEBWSPLK-NXEZZACHSA-N 0 3 222.292 0.092 20 0 BCADHN CCN(CCOCCO)CCc1ccnn1C ZINC000283084168 385807306 /nfs/dbraw/zinc/80/73/06/385807306.db2.gz LCURGVBWRFORCC-UHFFFAOYSA-N 0 3 241.335 0.293 20 0 BCADHN COC(=O)CN(Cc1cn[nH]c1C)C1CC1 ZINC000271302988 385814939 /nfs/dbraw/zinc/81/49/39/385814939.db2.gz UTOPDZLAWVTWMU-UHFFFAOYSA-N 0 3 223.276 0.856 20 0 BCADHN C[C@@H](CNC(=O)c1cc(F)c[nH]1)N(C)C ZINC000294175134 385816970 /nfs/dbraw/zinc/81/69/70/385816970.db2.gz SCXNKSPVXDAEKY-ZETCQYMHSA-N 0 3 213.256 0.834 20 0 BCADHN CN(C)C/C=C/C(=O)NN1CCCCC1 ZINC000271375323 385823096 /nfs/dbraw/zinc/82/30/96/385823096.db2.gz AAYSLPJTJXYBRE-VOTSOKGWSA-N 0 3 211.309 0.621 20 0 BCADHN CC[C@H](COC)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000336738039 385827016 /nfs/dbraw/zinc/82/70/16/385827016.db2.gz NZAAMSUXYRYQDF-VHSXEESVSA-N 0 3 249.376 0.967 20 0 BCADHN COC(=O)c1ccc(CNC(=O)[C@@H](C)N)o1 ZINC000261826829 385829949 /nfs/dbraw/zinc/82/99/49/385829949.db2.gz IWOWAPLHVYVGPG-ZCFIWIBFSA-N 0 3 226.232 0.030 20 0 BCADHN CSCCN1CC[C@H](C)C[C@H]1C(N)=O ZINC000187416373 385831426 /nfs/dbraw/zinc/83/14/26/385831426.db2.gz VYFRNSPXVYORLD-IUCAKERBSA-N 0 3 216.350 0.935 20 0 BCADHN C[C@@H]1CN(c2ccc(=O)n(C)n2)[C@H](C)CN1C ZINC000413218731 385831550 /nfs/dbraw/zinc/83/15/50/385831550.db2.gz JVJDSFRFOQLCHA-NXEZZACHSA-N 0 3 236.319 0.309 20 0 BCADHN COC(=O)[C@H]1CCN(CCn2ccnc2)C1 ZINC000095020890 385832437 /nfs/dbraw/zinc/83/24/37/385832437.db2.gz GTGOOAZHSWVVDO-JTQLQIEISA-N 0 3 223.276 0.378 20 0 BCADHN CN1CCC(NC(=O)NC2CCC2)CC1 ZINC000122917081 385835657 /nfs/dbraw/zinc/83/56/57/385835657.db2.gz AFUCAJFCBNRFTG-UHFFFAOYSA-N 0 3 211.309 0.932 20 0 BCADHN COC(=O)C1(CN(C)Cc2cnn(C)c2)CC1 ZINC000283848042 385836692 /nfs/dbraw/zinc/83/66/92/385836692.db2.gz CRRTYYYGRTXLGL-UHFFFAOYSA-N 0 3 237.303 0.805 20 0 BCADHN CCCC[N@H+](C)CCNC(=O)c1c[n-]nn1 ZINC000112308737 385837527 /nfs/dbraw/zinc/83/75/27/385837527.db2.gz JRMSQTNVZLMHLX-UHFFFAOYSA-N 0 3 225.296 0.266 20 0 BCADHN CCCC[N@@H+](C)CCNC(=O)c1c[n-]nn1 ZINC000112308737 385837528 /nfs/dbraw/zinc/83/75/28/385837528.db2.gz JRMSQTNVZLMHLX-UHFFFAOYSA-N 0 3 225.296 0.266 20 0 BCADHN CCCC[N@H+](C)CCNC(=O)c1cnn[n-]1 ZINC000112308737 385837533 /nfs/dbraw/zinc/83/75/33/385837533.db2.gz JRMSQTNVZLMHLX-UHFFFAOYSA-N 0 3 225.296 0.266 20 0 BCADHN CCCC[N@@H+](C)CCNC(=O)c1cnn[n-]1 ZINC000112308737 385837535 /nfs/dbraw/zinc/83/75/35/385837535.db2.gz JRMSQTNVZLMHLX-UHFFFAOYSA-N 0 3 225.296 0.266 20 0 BCADHN CCCC[N@H+](C)CCNC(=O)c1cn[n-]n1 ZINC000112308737 385837537 /nfs/dbraw/zinc/83/75/37/385837537.db2.gz JRMSQTNVZLMHLX-UHFFFAOYSA-N 0 3 225.296 0.266 20 0 BCADHN CCCC[N@@H+](C)CCNC(=O)c1cn[n-]n1 ZINC000112308737 385837541 /nfs/dbraw/zinc/83/75/41/385837541.db2.gz JRMSQTNVZLMHLX-UHFFFAOYSA-N 0 3 225.296 0.266 20 0 BCADHN CO[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000262229799 385839676 /nfs/dbraw/zinc/83/96/76/385839676.db2.gz NSPLFCMVIXSVBK-KGYLQXTDSA-N 0 3 248.326 0.975 20 0 BCADHN CCCCN(C)CCNC(=O)N[C@@H](CC)CO ZINC000112465629 385845040 /nfs/dbraw/zinc/84/50/40/385845040.db2.gz KTJALNDPLDFGMC-NSHDSACASA-N 0 3 245.367 0.788 20 0 BCADHN CCCCN(C)CCNC(=O)N[C@H](CC)CO ZINC000112465631 385845619 /nfs/dbraw/zinc/84/56/19/385845619.db2.gz KTJALNDPLDFGMC-LLVKDONJSA-N 0 3 245.367 0.788 20 0 BCADHN CN1CC=C(CNC(=O)[C@@H]2CCOC2)CC1 ZINC000271801028 385851017 /nfs/dbraw/zinc/85/10/17/385851017.db2.gz DJDBHOIZSCSMNG-LLVKDONJSA-N 0 3 224.304 0.401 20 0 BCADHN CN(CCNC(=O)c1ccsn1)C1CC1 ZINC000294443976 385851293 /nfs/dbraw/zinc/85/12/93/385851293.db2.gz HDRQQNZNADPNSN-UHFFFAOYSA-N 0 3 225.317 0.967 20 0 BCADHN COCC[C@H](C)CNC(=O)NCCN(C)C ZINC000413660606 385852806 /nfs/dbraw/zinc/85/28/06/385852806.db2.gz SQAXJGZMLSHIHI-JTQLQIEISA-N 0 3 231.340 0.520 20 0 BCADHN Cn1cc(C(=O)NCC2=CCN(C)CC2)cn1 ZINC000271842844 385854797 /nfs/dbraw/zinc/85/47/97/385854797.db2.gz IHFXTMUHENQUDF-UHFFFAOYSA-N 0 3 234.303 0.412 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@H](CO)CC1CCC1 ZINC000336741299 385855885 /nfs/dbraw/zinc/85/58/85/385855885.db2.gz NCJYHPBKWCKDAG-ONGXEEELSA-N 0 3 249.376 0.560 20 0 BCADHN COC(=O)[C@H]1CCN(CC2=CCCOC2)C1 ZINC000271120177 385790297 /nfs/dbraw/zinc/79/02/97/385790297.db2.gz XVVDQKLUYLUYTK-NSHDSACASA-N 0 3 225.288 0.828 20 0 BCADHN N[C@H](CC(F)F)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000336656833 385792690 /nfs/dbraw/zinc/79/26/90/385792690.db2.gz LSDFAASWGDUFJE-GJMOJQLCSA-N 0 3 234.246 0.359 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)c1ncon1 ZINC000271136789 385793904 /nfs/dbraw/zinc/79/39/04/385793904.db2.gz RJMSEBULBWYETO-QMMMGPOBSA-N 0 3 226.280 0.589 20 0 BCADHN C[C@@](O)(CN1CC[C@@H](CO)C1)C(F)(F)F ZINC000336709683 385794294 /nfs/dbraw/zinc/79/42/94/385794294.db2.gz SRDQSGJRQRGHLM-HTQZYQBOSA-N 0 3 227.226 0.614 20 0 BCADHN CC(C)COC[C@@H](O)CN(C)CC1(CO)CC1 ZINC000186805384 385797311 /nfs/dbraw/zinc/79/73/11/385797311.db2.gz NIXYYIGLCREIIX-LBPRGKRZSA-N 0 3 245.363 0.724 20 0 BCADHN CC(C)(O)CN1CCN2C(=O)CC[C@H]2C1 ZINC000123474781 385884479 /nfs/dbraw/zinc/88/44/79/385884479.db2.gz WWVBWQZJLWADBV-VIFPVBQESA-N 0 3 212.293 0.064 20 0 BCADHN Cn1cc(C(=O)NCCNc2ccncc2)cn1 ZINC000338066797 385885402 /nfs/dbraw/zinc/88/54/02/385885402.db2.gz NWWWJGKKLNEUDC-UHFFFAOYSA-N 0 3 245.286 0.079 20 0 BCADHN Cc1cc(CNC(CO)CO)c(C)s1 ZINC000083690863 385885972 /nfs/dbraw/zinc/88/59/72/385885972.db2.gz QMAJNLHUJYRGEK-UHFFFAOYSA-N 0 3 215.318 0.808 20 0 BCADHN COCCN(C)C(=O)C1(N)Cc2ccccc2C1 ZINC000647920923 385886562 /nfs/dbraw/zinc/88/65/62/385886562.db2.gz JWYJINFIQNMHCY-UHFFFAOYSA-N 0 3 248.326 0.588 20 0 BCADHN CC1(C)CNCCN1C(=O)Cn1ccccc1=O ZINC000647840179 385887310 /nfs/dbraw/zinc/88/73/10/385887310.db2.gz SAPYTXDTBIGXAT-UHFFFAOYSA-N 0 3 249.314 0.059 20 0 BCADHN CCOCCNC(=O)N(C)CCN1CCCC1 ZINC000112742247 385887891 /nfs/dbraw/zinc/88/78/91/385887891.db2.gz GWAWRUPNTLCSBB-UHFFFAOYSA-N 0 3 243.351 0.760 20 0 BCADHN Cc1ccc([O-])c(C[NH2+][C@H]2C[C@@H](O)C2)n1 ZINC000294718803 385888172 /nfs/dbraw/zinc/88/81/72/385888172.db2.gz AVLFJXQMGZQWCQ-DTORHVGOSA-N 0 3 208.261 0.709 20 0 BCADHN Cc1[nH]nc(C(=O)N2CCNCC2(C)C)c1C ZINC000647841001 385889291 /nfs/dbraw/zinc/88/92/91/385889291.db2.gz YIQJNHRLJFHFFX-UHFFFAOYSA-N 0 3 236.319 0.851 20 0 BCADHN CC[C@](C)(NCCn1ccnc1)C(N)=O ZINC000336721105 385892181 /nfs/dbraw/zinc/89/21/81/385892181.db2.gz DIOIXAIDKMFLKA-JTQLQIEISA-N 0 3 210.281 0.127 20 0 BCADHN CC[C@H](N)C(=O)Nc1nnc(C)s1 ZINC000133670685 385896709 /nfs/dbraw/zinc/89/67/09/385896709.db2.gz KCUXHLBZZFLYME-YFKPBYRVSA-N 0 3 200.267 0.522 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CCC[C@@H]1CO)N(C)C ZINC000413848874 385898362 /nfs/dbraw/zinc/89/83/62/385898362.db2.gz YJAOTAHZZKENSO-MXWKQRLJSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCc1ccc(F)cn1 ZINC000353208534 385899735 /nfs/dbraw/zinc/89/97/35/385899735.db2.gz UKSWLZYLOKYISJ-SNVBAGLBSA-N 0 3 225.267 0.820 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H](CO)[C@H]1CC)N(C)C ZINC000413857273 385900328 /nfs/dbraw/zinc/90/03/28/385900328.db2.gz LKGVWIBWMUEPBP-QJPTWQEYSA-N 0 3 242.363 0.946 20 0 BCADHN CN(CCC(C)(C)O)CC(C)(CO)CO ZINC000340198852 385901862 /nfs/dbraw/zinc/90/18/62/385901862.db2.gz SGNZISZCKSNDOX-UHFFFAOYSA-N 0 3 219.325 0.070 20 0 BCADHN CN(C)CCNC(=O)N[C@@H]1C[C@H]1c1ccco1 ZINC000413861399 385902597 /nfs/dbraw/zinc/90/25/97/385902597.db2.gz ZBCNXPSACBCTCD-NXEZZACHSA-N 0 3 237.303 0.996 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)CO)CN1Cc1ccccc1 ZINC000294875739 385907711 /nfs/dbraw/zinc/90/77/11/385907711.db2.gz HXECBZKGBTYCEM-YPMHNXCESA-N 0 3 248.326 0.758 20 0 BCADHN Cc1ccc(C(=O)NC(C)(C)CN(C)C)nn1 ZINC000413870267 385908194 /nfs/dbraw/zinc/90/81/94/385908194.db2.gz YSKKDHCNEJRRFL-UHFFFAOYSA-N 0 3 236.319 0.855 20 0 BCADHN CCN(CC)CC(=O)NCCOCC1CC1 ZINC000341992665 385915000 /nfs/dbraw/zinc/91/50/00/385915000.db2.gz JPBDFIUSVBUWPA-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@H]([C@H](C)O)C1 ZINC000272573507 385915188 /nfs/dbraw/zinc/91/51/88/385915188.db2.gz WNGJSEOEECJVID-VHSXEESVSA-N 0 3 209.293 0.921 20 0 BCADHN CC[C@H](Cn1cncn1)NCc1cnn(C)c1 ZINC000340469556 385859601 /nfs/dbraw/zinc/85/96/01/385859601.db2.gz WDLDEUCVEVEXAQ-LLVKDONJSA-N 0 3 234.307 0.580 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H](C)c1ccncc1 ZINC000121622726 385860280 /nfs/dbraw/zinc/86/02/80/385860280.db2.gz VZRXMYCNUCRWHC-BDAKNGLRSA-N 0 3 207.277 0.996 20 0 BCADHN CCN(C)CCNC(=O)N1CC[C@@H](COC)C1 ZINC000337956748 385860617 /nfs/dbraw/zinc/86/06/17/385860617.db2.gz VTAZCMOTNYBSSU-LLVKDONJSA-N 0 3 243.351 0.616 20 0 BCADHN CCC[C@@](C)(CO)NC(=O)[C@H](CC)N(C)C ZINC000413691541 385862756 /nfs/dbraw/zinc/86/27/56/385862756.db2.gz IFANYKMKVHADKS-JQWIXIFHSA-N 0 3 230.352 0.994 20 0 BCADHN Cc1cc(C(=O)NC[C@H]2CCCN2C)cc(=O)[nH]1 ZINC000271951838 385863125 /nfs/dbraw/zinc/86/31/25/385863125.db2.gz JOGQHFVDMWKGAB-LLVKDONJSA-N 0 3 249.314 0.920 20 0 BCADHN CC(C)(C)OC[C@H](O)CN1CC[C@@H](O)C1 ZINC000337978347 385866456 /nfs/dbraw/zinc/86/64/56/385866456.db2.gz JTCPYQVRPACBGE-NXEZZACHSA-N 0 3 217.309 0.229 20 0 BCADHN C[C@H](O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272736002 385927854 /nfs/dbraw/zinc/92/78/54/385927854.db2.gz CGYHXPCDSWTGHY-IUCAKERBSA-N 0 3 212.293 0.134 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2Cc2cc[nH]n2)C1 ZINC000644840523 385867797 /nfs/dbraw/zinc/86/77/97/385867797.db2.gz KWSKQCXGHSHOAG-ONGXEEELSA-N 0 3 206.293 0.546 20 0 BCADHN CN1C[C@@H]2CCN(Cc3cc[nH]n3)[C@@H]2C1 ZINC000644840520 385867927 /nfs/dbraw/zinc/86/79/27/385867927.db2.gz KWSKQCXGHSHOAG-GXSJLCMTSA-N 0 3 206.293 0.546 20 0 BCADHN CN1C[C@H]2CCN(Cc3cocn3)[C@H]2C1 ZINC000644840331 385868980 /nfs/dbraw/zinc/86/89/80/385868980.db2.gz KHSIXQHOAABJFD-KOLCDFICSA-N 0 3 207.277 0.811 20 0 BCADHN CN1CC=C(CNC(=O)c2ccc(C=O)[nH]2)CC1 ZINC000272026295 385870348 /nfs/dbraw/zinc/87/03/48/385870348.db2.gz VZSPFQKITGLOAH-UHFFFAOYSA-N 0 3 247.298 0.819 20 0 BCADHN C[C@@H](CNC(=O)CCn1ccnc1)N(C)C ZINC000338028539 385877116 /nfs/dbraw/zinc/87/71/16/385877116.db2.gz GROJRHMZRSBJJR-JTQLQIEISA-N 0 3 224.308 0.340 20 0 BCADHN CN(CCO[C@@H]1CCCCO1)CCC(N)=O ZINC000353207972 385878351 /nfs/dbraw/zinc/87/83/51/385878351.db2.gz ZUJAHCXYJIOZDL-LLVKDONJSA-N 0 3 230.308 0.337 20 0 BCADHN CC[C@@]1(C)CCN(Cc2cnc(N)nc2N)C1 ZINC000638135605 385879672 /nfs/dbraw/zinc/87/96/72/385879672.db2.gz URQNGZCFFRFFAL-LBPRGKRZSA-N 0 3 235.335 0.924 20 0 BCADHN CCN(CCO)CCNCc1ncc(C)s1 ZINC000294665694 385880247 /nfs/dbraw/zinc/88/02/47/385880247.db2.gz ABSXYWWPSJIANN-UHFFFAOYSA-N 0 3 243.376 0.855 20 0 BCADHN O=C1CCN(CC[C@@H](O)c2ccccc2)CCN1 ZINC000285927020 385977636 /nfs/dbraw/zinc/97/76/36/385977636.db2.gz IIXPTKKIRAFNKP-CYBMUJFWSA-N 0 3 248.326 0.932 20 0 BCADHN COC[C@@H](C)N1CCN(C[C@@H](C)O)CC1 ZINC000189349657 385983236 /nfs/dbraw/zinc/98/32/36/385983236.db2.gz GRXPINAYWOAPBR-GHMZBOCLSA-N 0 3 216.325 0.020 20 0 BCADHN C[C@@H](CN[C@@H](C)CS(C)(=O)=O)C[C@H](C)O ZINC000336748383 385986167 /nfs/dbraw/zinc/98/61/67/385986167.db2.gz CLJLNJIUARHWRI-UTLUCORTSA-N 0 3 237.365 0.416 20 0 BCADHN CC[C@@H](CO)N(C)Cc1cnc(N(C)C)nc1 ZINC000295186211 385986967 /nfs/dbraw/zinc/98/69/67/385986967.db2.gz WPGZKIUYNFKZDJ-NSHDSACASA-N 0 3 238.335 0.745 20 0 BCADHN C[C@@H](O)CN1CCN(CCCCCO)CC1 ZINC000189363396 385988947 /nfs/dbraw/zinc/98/89/47/385988947.db2.gz GTROXBWOKPSDJC-GFCCVEGCSA-N 0 3 230.352 0.147 20 0 BCADHN CSCCCN1CCN(C[C@@H](C)O)CC1 ZINC000189368867 385990322 /nfs/dbraw/zinc/99/03/22/385990322.db2.gz KCLXJVSFSJXMEO-LLVKDONJSA-N 0 3 232.393 0.738 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N(C)c2ccn(C)n2)C1 ZINC000335039832 385930898 /nfs/dbraw/zinc/93/08/98/385930898.db2.gz UNFASXWMZCIJBU-ZJUUUORDSA-N 0 3 236.319 0.771 20 0 BCADHN Cc1cnn(CCN2CCc3n[nH]nc3C2)c1 ZINC000342127126 385933643 /nfs/dbraw/zinc/93/36/43/385933643.db2.gz LQRRIHBVPSSXFU-UHFFFAOYSA-N 0 3 232.291 0.368 20 0 BCADHN CC[C@@H](C(=O)N(C)CCOC)N(C)C ZINC000338269636 385935079 /nfs/dbraw/zinc/93/50/79/385935079.db2.gz AYTLEBIGDPINNV-VIFPVBQESA-N 0 3 202.298 0.431 20 0 BCADHN COCCN(C)CCN[C@@H](C)c1ccn(C)n1 ZINC000414064350 385940026 /nfs/dbraw/zinc/94/00/26/385940026.db2.gz DTCIPYOTMBTMOI-NSHDSACASA-N 0 3 240.351 0.649 20 0 BCADHN C[C@H](O)CNCc1cnn(CC(F)F)c1 ZINC000292642849 385942724 /nfs/dbraw/zinc/94/27/24/385942724.db2.gz KJFQZSITJHBONM-ZETCQYMHSA-N 0 3 219.235 0.619 20 0 BCADHN CS[C@H]1CN(C(=O)C2CC2)C[C@H]1N(C)C ZINC000335053386 385952316 /nfs/dbraw/zinc/95/23/16/385952316.db2.gz VEJGLUSEIAHYDJ-ZJUUUORDSA-N 0 3 228.361 0.900 20 0 BCADHN CN(Cc1ccn(C)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295045125 385953246 /nfs/dbraw/zinc/95/32/46/385953246.db2.gz FEPFOWFRBIECSP-KBPBESRZSA-N 0 3 249.358 0.930 20 0 BCADHN N[C@@H](C(=O)N1CCN2CCC1CC2)C1CCC1 ZINC000335054349 385954853 /nfs/dbraw/zinc/95/48/53/385954853.db2.gz WTHBZGMYWXHZDW-GFCCVEGCSA-N 0 3 237.347 0.420 20 0 BCADHN CC(C)[C@@H]1CCN(C(=O)CN2CCNCC2)C1 ZINC000159568037 385957122 /nfs/dbraw/zinc/95/71/22/385957122.db2.gz JABVRSXIFGEDAL-GFCCVEGCSA-N 0 3 239.363 0.396 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCc1cnn(C)c1 ZINC000128103134 385958464 /nfs/dbraw/zinc/95/84/64/385958464.db2.gz DCSGRBFZFPGHFU-MWLCHTKSSA-N 0 3 238.335 0.452 20 0 BCADHN C[C@@H](CNC(=O)c1c([O-])cccc1O)[NH+](C)C ZINC000220222940 385959949 /nfs/dbraw/zinc/95/99/49/385959949.db2.gz JOFHVUVJEAVFOH-QMMMGPOBSA-N 0 3 238.287 0.778 20 0 BCADHN C[C@H]1CN(C(=O)C(=O)N(C)CCN)C(C)(C)C1 ZINC000335059712 385960461 /nfs/dbraw/zinc/96/04/61/385960461.db2.gz NNMBVPPNINZYQN-SECBINFHSA-N 0 3 241.335 0.051 20 0 BCADHN COCCn1cc(CN[C@H](C)CN(C)C)cn1 ZINC000342220972 385962058 /nfs/dbraw/zinc/96/20/58/385962058.db2.gz KSQMTQWAVVIUTM-LLVKDONJSA-N 0 3 240.351 0.569 20 0 BCADHN C[C@H]1COc2ccccc2CN1C(=O)CN ZINC000335012835 385968841 /nfs/dbraw/zinc/96/88/41/385968841.db2.gz JMOPCYCJVLYFGP-VIFPVBQESA-N 0 3 220.272 0.755 20 0 BCADHN CO[C@H]1CN(CCOCCO)CC[C@@H]1C ZINC000189279404 385971903 /nfs/dbraw/zinc/97/19/03/385971903.db2.gz QMEGSCBUIYFSHW-QWRGUYRKSA-N 0 3 217.309 0.352 20 0 BCADHN COC[C@H]1CN(CCCCCO)C[C@H](C)O1 ZINC000189382727 386000921 /nfs/dbraw/zinc/00/09/21/386000921.db2.gz MZKDZNDFVZYKME-NWDGAFQWSA-N 0 3 231.336 0.885 20 0 BCADHN C[S@](=O)CCCNCc1cccnc1 ZINC000124225648 386001983 /nfs/dbraw/zinc/00/19/83/386001983.db2.gz XVGZESNUJUCWRC-CQSZACIVSA-N 0 3 212.318 0.940 20 0 BCADHN COC[C@@H](CC(C)C)NCC(=O)N(C)C ZINC000336751047 386007094 /nfs/dbraw/zinc/00/70/94/386007094.db2.gz FHYLCDNLCYGYKH-SNVBAGLBSA-N 0 3 216.325 0.725 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000073933158 386007339 /nfs/dbraw/zinc/00/73/39/386007339.db2.gz OALSEFCTSGZXKJ-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](O)CCN[C@H](C(N)=O)C(C)(C)C ZINC000425416211 386008675 /nfs/dbraw/zinc/00/86/75/386008675.db2.gz KTFCJKLIXXUGAY-HTQZYQBOSA-N 0 3 202.298 0.247 20 0 BCADHN C[C@@H](O)CC(C)(C)CNC(=O)[C@H](C)N ZINC000336751708 386010923 /nfs/dbraw/zinc/01/09/23/386010923.db2.gz GQMWZMNAEYFJEK-SFYZADRCSA-N 0 3 202.298 0.247 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CCC[C@@H]1CCO ZINC000187994644 386013504 /nfs/dbraw/zinc/01/35/04/386013504.db2.gz FCTYJZASJGUISD-MXWKQRLJSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@H](CN[C@@H](C)[C@H]1CCCO1)S(C)(=O)=O ZINC000336752358 386014108 /nfs/dbraw/zinc/01/41/08/386014108.db2.gz GUSWGNDABHCAGO-KXUCPTDWSA-N 0 3 235.349 0.577 20 0 BCADHN Cc1nc(CCN(C)CCC(N)=O)cs1 ZINC000286268980 386018402 /nfs/dbraw/zinc/01/84/02/386018402.db2.gz BSGDGTGMNKXBJO-UHFFFAOYSA-N 0 3 227.333 0.801 20 0 BCADHN C[C@@H]1C[C@H]1NC(=O)[C@H]1CNCCC1(F)F ZINC000309544832 386018710 /nfs/dbraw/zinc/01/87/10/386018710.db2.gz ZJNQZTFDQOXQCK-BWZBUEFSSA-N 0 3 218.247 0.756 20 0 BCADHN CO[C@](C)(CN[C@H]1CCCNC1=O)C1CC1 ZINC000309657305 386022613 /nfs/dbraw/zinc/02/26/13/386022613.db2.gz QIJDREKSUPXPGO-CMPLNLGQSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@H](CC(=O)N(C)C)NC[C@H](O)C(F)F ZINC000336771023 386023490 /nfs/dbraw/zinc/02/34/90/386023490.db2.gz XGGOYIXWLLWJFE-RQJHMYQMSA-N 0 3 224.251 0.069 20 0 BCADHN COCCNC(=O)C1(N[C@H](C)[C@H]2C[C@@H]2C)CC1 ZINC000414184112 386025400 /nfs/dbraw/zinc/02/54/00/386025400.db2.gz NNFPHQCLSKJLFZ-AXFHLTTASA-N 0 3 240.347 0.916 20 0 BCADHN CN(CCC(N)=O)C[C@H](O)c1ccccc1 ZINC000286342695 386025853 /nfs/dbraw/zinc/02/58/53/386025853.db2.gz GOZWZCSFYKFMPO-NSHDSACASA-N 0 3 222.288 0.527 20 0 BCADHN O=C(CN1CCC[C@@H]1[C@@H]1CCCO1)N1CCC1 ZINC000334433650 386056722 /nfs/dbraw/zinc/05/67/22/386056722.db2.gz DJRHUVRHNMHEQX-NEPJUHHUSA-N 0 3 238.331 0.862 20 0 BCADHN COCCNC(=O)C1(N[C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000414187051 386028386 /nfs/dbraw/zinc/02/83/86/386028386.db2.gz PXNOHCHDVQWXAT-HBNTYKKESA-N 0 3 240.347 0.916 20 0 BCADHN COCCNC(=O)C1(N[C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000414187045 386028827 /nfs/dbraw/zinc/02/88/27/386028827.db2.gz PXNOHCHDVQWXAT-GARJFASQSA-N 0 3 240.347 0.916 20 0 BCADHN CCN(CCNC(=O)N(C)CCOC)C1CC1 ZINC000338532766 386031674 /nfs/dbraw/zinc/03/16/74/386031674.db2.gz GYIFPDWPCRZSFM-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN C[C@@H](O)CCN1CCC(O)(C(F)F)CC1 ZINC000425430239 386032419 /nfs/dbraw/zinc/03/24/19/386032419.db2.gz DUEYIHHOQDMXSC-MRVPVSSYSA-N 0 3 223.263 0.849 20 0 BCADHN CC(C)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000334428190 386036643 /nfs/dbraw/zinc/03/66/43/386036643.db2.gz HVQKXWPTCYSKFS-SNVBAGLBSA-N 0 3 211.265 0.021 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N1CC[C@H](C)C1 ZINC000334429068 386039819 /nfs/dbraw/zinc/03/98/19/386039819.db2.gz IQOOMEFCXRPISD-JGVFFNPUSA-N 0 3 213.281 0.172 20 0 BCADHN CO[C@@H](CN1CCN2C(=O)CC[C@H]2C1)C1CC1 ZINC000425420887 386040334 /nfs/dbraw/zinc/04/03/34/386040334.db2.gz MZHHGUWDCDMHBC-RYUDHWBXSA-N 0 3 238.331 0.718 20 0 BCADHN CC(C)[C@](C)(CO)NCC(=O)NC1CC1 ZINC000336771440 386041789 /nfs/dbraw/zinc/04/17/89/386041789.db2.gz XKQRSXPDKUMHNL-NSHDSACASA-N 0 3 214.309 0.262 20 0 BCADHN Cc1cncc(CN(C)CCC(N)=O)c1 ZINC000286452891 386041803 /nfs/dbraw/zinc/04/18/03/386041803.db2.gz MOQFVYMRNLJURF-UHFFFAOYSA-N 0 3 207.277 0.697 20 0 BCADHN CO[C@@H](CN1CCSC[C@@H]1CO)C1CC1 ZINC000425423124 386043398 /nfs/dbraw/zinc/04/33/98/386043398.db2.gz QBTDVRPFDROXQX-QWRGUYRKSA-N 0 3 231.361 0.821 20 0 BCADHN CC(=O)NCC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000124402143 386044152 /nfs/dbraw/zinc/04/41/52/386044152.db2.gz VZXMARWWYPCNLD-KOLCDFICSA-N 0 3 241.335 0.064 20 0 BCADHN CCOC[C@@H](NCC(=O)N1CCC1)C(C)C ZINC000336772047 386057518 /nfs/dbraw/zinc/05/75/18/386057518.db2.gz VBHJTSSTVGFJBM-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN CO[C@H](CN1CC[C@H](NC(N)=O)C1)C1CC1 ZINC000425425028 386047224 /nfs/dbraw/zinc/04/72/24/386047224.db2.gz SWODJXFYLDUIMR-VHSXEESVSA-N 0 3 227.308 0.154 20 0 BCADHN CC(C(=O)N1CC(C2CC2)C1)S(C)(=O)=O ZINC000643288324 386054346 /nfs/dbraw/zinc/05/43/46/386054346.db2.gz JWMWADDXFIQDRY-SSDOTTSWSA-N 0 3 231.317 0.288 20 0 BCADHN CO[C@H](C)CCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000417455833 385996663 /nfs/dbraw/zinc/99/66/63/385996663.db2.gz GEIWUHDWHAZCLV-GMTAPVOTSA-N 0 3 243.351 0.803 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)C2(O)CCCC2)C1 ZINC000334459296 386100739 /nfs/dbraw/zinc/10/07/39/386100739.db2.gz SEWPHNPWNJUQJJ-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN Cc1nonc1C(=O)N[C@@H](C)CN(C)C ZINC000287203671 386100941 /nfs/dbraw/zinc/10/09/41/386100941.db2.gz NEDICBQNNAMUGJ-LURJTMIESA-N 0 3 212.253 0.058 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345311310 386100992 /nfs/dbraw/zinc/10/09/92/386100992.db2.gz DNGLFIPQXVMXJQ-NWDGAFQWSA-N 0 3 241.379 0.927 20 0 BCADHN CO[C@H](CN(C)[C@@H]1COC[C@H]1O)C1CC1 ZINC000425460445 386104756 /nfs/dbraw/zinc/10/47/56/386104756.db2.gz RVLJDPWHDFOUNP-GMTAPVOTSA-N 0 3 215.293 0.103 20 0 BCADHN Cc1cc(C(=O)N[C@@H](C)C[NH+](C)C)[n-]c(=O)n1 ZINC000287244185 386105894 /nfs/dbraw/zinc/10/58/94/386105894.db2.gz QGOFFUBKDZHKIQ-QMMMGPOBSA-N 0 3 238.291 0.171 20 0 BCADHN Cc1cc(C(=O)N[C@@H](C)CN(C)C)n(C)n1 ZINC000287244280 386106675 /nfs/dbraw/zinc/10/66/75/386106675.db2.gz QHVJBHLPVSYUOJ-VIFPVBQESA-N 0 3 224.308 0.408 20 0 BCADHN Cc1ccncc1CN1C[C@@H](O)C[C@H]1CO ZINC000274449897 386106719 /nfs/dbraw/zinc/10/67/19/386106719.db2.gz DVAZGSFHXOZOMV-RYUDHWBXSA-N 0 3 222.288 0.318 20 0 BCADHN C[C@@H](CO)N(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000338694240 386108989 /nfs/dbraw/zinc/10/89/89/386108989.db2.gz UQSUMWITDBOPBC-AXFHLTTASA-N 0 3 228.336 0.698 20 0 BCADHN COCCCN(CCO)C[C@@H]1CCCCO1 ZINC000189871529 386110382 /nfs/dbraw/zinc/11/03/82/386110382.db2.gz CPMVPDMXNGBOMQ-LBPRGKRZSA-N 0 3 231.336 0.886 20 0 BCADHN COC[C@@H](CO)NCc1ccc(OC)c(F)c1 ZINC000234871447 386110395 /nfs/dbraw/zinc/11/03/95/386110395.db2.gz XBEBVCCZCSICHP-SNVBAGLBSA-N 0 3 243.278 0.931 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Cc1cccnc1 ZINC000287287894 386111265 /nfs/dbraw/zinc/11/12/65/386111265.db2.gz UIKLDYRQAPMALN-JTQLQIEISA-N 0 3 221.304 0.690 20 0 BCADHN Cc1noc(CNC(=O)[C@H]2CCCCN2)n1 ZINC000038034990 386113604 /nfs/dbraw/zinc/11/36/04/386113604.db2.gz GQMOCUGNDLCCHJ-MRVPVSSYSA-N 0 3 224.264 0.136 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1nc(C)no1 ZINC000038035061 386113936 /nfs/dbraw/zinc/11/39/36/386113936.db2.gz BERFKNJJXKLBNA-SNVBAGLBSA-N 0 3 226.280 0.512 20 0 BCADHN CC(C)CN1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000334462151 386118376 /nfs/dbraw/zinc/11/83/76/386118376.db2.gz QDOLABQKLZRSGV-NSHDSACASA-N 0 3 248.392 0.998 20 0 BCADHN C[C@@H](NCCN1CCOCC1)c1cn[nH]c1 ZINC000274010132 386059167 /nfs/dbraw/zinc/05/91/67/386059167.db2.gz KTDAKHNMQABXQV-SNVBAGLBSA-N 0 3 224.308 0.393 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@H]1CCCCO1 ZINC000162236322 386060624 /nfs/dbraw/zinc/06/06/24/386060624.db2.gz BTOWYLWCHWUGMB-WDEREUQCSA-N 0 3 249.376 0.968 20 0 BCADHN CO[C@H](CN1C[C@@H](OC)[C@@H](OC)C1)C1CC1 ZINC000425437830 386062440 /nfs/dbraw/zinc/06/24/40/386062440.db2.gz BYYUVHYBHUZUAF-UTUOFQBUSA-N 0 3 229.320 0.757 20 0 BCADHN CCCCN(C)CCNC(=O)c1cn(C)nn1 ZINC000345212161 386062998 /nfs/dbraw/zinc/06/29/98/386062998.db2.gz ZSXILNRDKVCMEF-UHFFFAOYSA-N 0 3 239.323 0.277 20 0 BCADHN CO[C@H](C)[C@@H](C)NC(=O)N[C@H](C)CN(C)C ZINC000355324934 386065427 /nfs/dbraw/zinc/06/54/27/386065427.db2.gz SAYYPXRWQVFJSF-OPRDCNLKSA-N 0 3 231.340 0.659 20 0 BCADHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cnc(C)nc1 ZINC000345839172 386122059 /nfs/dbraw/zinc/12/20/59/386122059.db2.gz GIZLEOVZGUZSHN-RYUDHWBXSA-N 0 3 248.330 0.789 20 0 BCADHN C[C@@H](CO)N(C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000338595739 386068855 /nfs/dbraw/zinc/06/88/55/386068855.db2.gz FGFVKDOVMMTDKT-SDDRHHMPSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@H]1CCN(C)CCN1Cc1cc[nH]n1 ZINC000334440788 386071555 /nfs/dbraw/zinc/07/15/55/386071555.db2.gz YCAQUSGUVBLXHH-JTQLQIEISA-N 0 3 208.309 0.936 20 0 BCADHN C[C@@H](Cn1cccn1)NC[C@@H](O)C(F)F ZINC000336772188 386072693 /nfs/dbraw/zinc/07/26/93/386072693.db2.gz XWJQSPSALLYKNC-JGVFFNPUSA-N 0 3 219.235 0.487 20 0 BCADHN C[C@H](N)C(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000340240358 386073174 /nfs/dbraw/zinc/07/31/74/386073174.db2.gz UMIPYRIEQOGXMZ-HBNTYKKESA-N 0 3 228.336 0.781 20 0 BCADHN CC(C)N(C(=O)/C=C/CN(C)C)C1COC1 ZINC000295709045 386073453 /nfs/dbraw/zinc/07/34/53/386073453.db2.gz JPYXIMAFTGHNHF-AATRIKPKSA-N 0 3 226.320 0.740 20 0 BCADHN C[C@H](CNC(=O)C[C@@H]1CCCC(=O)N1)N(C)C ZINC000345235668 386075023 /nfs/dbraw/zinc/07/50/23/386075023.db2.gz WQVYDZJKBYBZTC-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1nccn2ccnc12 ZINC000286847162 386078593 /nfs/dbraw/zinc/07/85/93/386078593.db2.gz ASWBVOCIHJZEOQ-VIFPVBQESA-N 0 3 247.302 0.409 20 0 BCADHN O=C1NCCN1CCN1CC[C@@]2(CCOC2)C1 ZINC000334445234 386078868 /nfs/dbraw/zinc/07/88/68/386078868.db2.gz IWUQWQPDJGDYNP-GFCCVEGCSA-N 0 3 239.319 0.124 20 0 BCADHN NS(=O)(=O)CCCN1C[C@@H]2CCCCC[C@H]21 ZINC000366100326 386079026 /nfs/dbraw/zinc/07/90/26/386079026.db2.gz YUVGIDXYGFADCC-WDEREUQCSA-N 0 3 246.376 0.930 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccn(C)c1 ZINC000286869219 386079690 /nfs/dbraw/zinc/07/96/90/386079690.db2.gz CZBNGLSMIARFEI-VIFPVBQESA-N 0 3 209.293 0.705 20 0 BCADHN CCN1CCC[C@@H](NC(=O)NC[C@H](C)O)C1 ZINC000408400766 386079491 /nfs/dbraw/zinc/07/94/91/386079491.db2.gz WWGPINVSLOEKQH-VHSXEESVSA-N 0 3 229.324 0.151 20 0 BCADHN C[C@@H](O)CCN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000425447823 386079652 /nfs/dbraw/zinc/07/96/52/386079652.db2.gz QPLIZDNFSVKXBW-VXGBXAGGSA-N 0 3 244.379 0.534 20 0 BCADHN NS(=O)(=O)CCCN1C[C@H]2CCCCC[C@@H]21 ZINC000366100324 386081015 /nfs/dbraw/zinc/08/10/15/386081015.db2.gz YUVGIDXYGFADCC-MNOVXSKESA-N 0 3 246.376 0.930 20 0 BCADHN C[C@@H](O)CN1CCC[C@H](N2CCCCC2=O)C1 ZINC000365405211 386081093 /nfs/dbraw/zinc/08/10/93/386081093.db2.gz UVJHYCOCOYOQKU-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cccc(C(N)=O)c1 ZINC000286872104 386081387 /nfs/dbraw/zinc/08/13/87/386081387.db2.gz DHUZEJWLYAYUSK-VIFPVBQESA-N 0 3 249.314 0.465 20 0 BCADHN COCCO[C@@H]1CCN(CCC(=O)OC)C1 ZINC000189724365 386083207 /nfs/dbraw/zinc/08/32/07/386083207.db2.gz KOFQUGGXSADLMF-SNVBAGLBSA-N 0 3 231.292 0.287 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1n[nH]c2c1CCC2 ZINC000286936321 386083795 /nfs/dbraw/zinc/08/37/95/386083795.db2.gz JNNKNSONECGZJC-QMMMGPOBSA-N 0 3 236.319 0.578 20 0 BCADHN CCN(C[C@H](O)COC(C)C)[C@@H]1CCOC1 ZINC000336642725 386086788 /nfs/dbraw/zinc/08/67/88/386086788.db2.gz AAUJGACQYKILBW-NEPJUHHUSA-N 0 3 231.336 0.883 20 0 BCADHN CS[C@@H](C)CNC(=O)C(N)C(F)(F)F ZINC000336772855 386088376 /nfs/dbraw/zinc/08/83/76/386088376.db2.gz YKLJJVVENGVNDN-CRCLSJGQSA-N 0 3 230.255 0.744 20 0 BCADHN CN(CCNC(=O)N1CCCCO1)C1CC1 ZINC000338645392 386089025 /nfs/dbraw/zinc/08/90/25/386089025.db2.gz ZZYUJKXTLNXKLP-UHFFFAOYSA-N 0 3 227.308 0.818 20 0 BCADHN O=C1NCCC[C@@H]1NCc1c[nH]c2nccnc12 ZINC000356172594 386090411 /nfs/dbraw/zinc/09/04/11/386090411.db2.gz WFFKKNGUJQBDMS-VIFPVBQESA-N 0 3 245.286 0.278 20 0 BCADHN CCOC[C@H](N[C@@H](CC)C(N)=O)C(C)C ZINC000189815389 386090559 /nfs/dbraw/zinc/09/05/59/386090559.db2.gz SYNNNDDNHCAZPY-UWVGGRQHSA-N 0 3 216.325 0.901 20 0 BCADHN C[C@H](O)CCN[C@](C)(CO)c1cccc(O)c1 ZINC000425458259 386096642 /nfs/dbraw/zinc/09/66/42/386096642.db2.gz 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222.292 0.481 20 0 BCADHN CCN(CC)CCNC(=O)C(=O)c1ccc[nH]1 ZINC000296083666 386136040 /nfs/dbraw/zinc/13/60/40/386136040.db2.gz FDAXSHIYRKSHTJ-UHFFFAOYSA-N 0 3 237.303 0.655 20 0 BCADHN COC(=O)CCCN(C)CC1(CO)CC1 ZINC000190029363 386143628 /nfs/dbraw/zinc/14/36/28/386143628.db2.gz LPHCJDOYDUHRGD-UHFFFAOYSA-N 0 3 215.293 0.644 20 0 BCADHN CC[C@H](N)C(=O)NCCCn1cccn1 ZINC000157006868 386259385 /nfs/dbraw/zinc/25/93/85/386259385.db2.gz CMVQXCMULYMKFT-VIFPVBQESA-N 0 3 210.281 0.127 20 0 BCADHN CC(C)(C)[C@H](O)CN(CC(N)=O)C(C)(C)C ZINC000340285093 386204606 /nfs/dbraw/zinc/20/46/06/386204606.db2.gz GFCARQYATXBASW-SECBINFHSA-N 0 3 230.352 0.979 20 0 BCADHN CC[C@H]1CN(Cc2c(C)cnn2C)C[C@@H]1O ZINC000289079589 386259489 /nfs/dbraw/zinc/25/94/89/386259489.db2.gz DBPGKGQEDVLHNQ-JQWIXIFHSA-N 0 3 223.320 0.931 20 0 BCADHN CCN(CCNC(=O)c1ccncn1)C1CC1 ZINC000275407994 386207268 /nfs/dbraw/zinc/20/72/68/386207268.db2.gz YTOQZDNLJHUMGW-UHFFFAOYSA-N 0 3 234.303 0.691 20 0 BCADHN C[C@@H](N(C)C(=O)/C=C/CN(C)C)C(C)(C)O ZINC000296877861 386209794 /nfs/dbraw/zinc/20/97/94/386209794.db2.gz KISGMDZUPKQXIZ-QROSGCPLSA-N 0 3 228.336 0.722 20 0 BCADHN CC[C@H](O)CN(C)CCc1noc(C)n1 ZINC000339032467 386218405 /nfs/dbraw/zinc/21/84/05/386218405.db2.gz JKECOVFJKSLLEA-VIFPVBQESA-N 0 3 213.281 0.623 20 0 BCADHN C[C@H](Cn1cccn1)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000275533837 386220642 /nfs/dbraw/zinc/22/06/42/386220642.db2.gz NYBMSNVKFNOFTB-KXUCPTDWSA-N 0 3 240.282 0.088 20 0 BCADHN c1nc2cnccn2c1CN[C@@H]1CCCOC1 ZINC000288619746 386221875 /nfs/dbraw/zinc/22/18/75/386221875.db2.gz RMVZVEYPZGWQKK-SNVBAGLBSA-N 0 3 232.287 0.998 20 0 BCADHN CCCCN(CC)[C@H](C)C(=O)NC(N)=O ZINC000131821478 386224858 /nfs/dbraw/zinc/22/48/58/386224858.db2.gz NJDPVEIRAVCVSD-MRVPVSSYSA-N 0 3 215.297 0.692 20 0 BCADHN CN(CCOC1CCC1)CC(C)(CO)CO ZINC000347039800 386225443 /nfs/dbraw/zinc/22/54/43/386225443.db2.gz WYUQWCADPTTYCR-UHFFFAOYSA-N 0 3 231.336 0.478 20 0 BCADHN CO[C@H](CC(C)C)C(=O)NCCN(C)C ZINC000416120993 386226376 /nfs/dbraw/zinc/22/63/76/386226376.db2.gz IREDTTJITWFHRR-SNVBAGLBSA-N 0 3 216.325 0.725 20 0 BCADHN O=C1CCCN1[C@H]1CCN(CCCO)C1 ZINC000336648877 386260250 /nfs/dbraw/zinc/26/02/50/386260250.db2.gz PZNPYXZBNHHQBY-JTQLQIEISA-N 0 3 212.293 0.066 20 0 BCADHN CC[C@H](N[C@@H](C)CS(C)(=O)=O)[C@@H]1CCCO1 ZINC000132339823 386229961 /nfs/dbraw/zinc/22/99/61/386229961.db2.gz HQGBUTNYTPEULC-DCAQKATOSA-N 0 3 249.376 0.967 20 0 BCADHN Cc1ccc(O)c(NC(=O)COC2CNC2)c1 ZINC000347119575 386233917 /nfs/dbraw/zinc/23/39/17/386233917.db2.gz ZLMJSAAFRXXJGG-UHFFFAOYSA-N 0 3 236.271 0.628 20 0 BCADHN COC(=O)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC000226151516 386237744 /nfs/dbraw/zinc/23/77/44/386237744.db2.gz QMUCERMIJDYGLX-LLVKDONJSA-N 0 3 237.303 0.458 20 0 BCADHN Cc1ccn(C)c1C(=O)N(C)CCN(C)C ZINC000275777732 386238625 /nfs/dbraw/zinc/23/86/25/386238625.db2.gz BPACFHIUWLWATL-UHFFFAOYSA-N 0 3 223.320 0.967 20 0 BCADHN Cc1ccc([O-])c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090321637 386239168 /nfs/dbraw/zinc/23/91/68/386239168.db2.gz NUXPDXNQSRAYLM-PHIMTYICSA-N 0 3 246.310 0.992 20 0 BCADHN CN(C)CCN(C)C(=O)CNC(=O)C(C)(C)C ZINC000080390699 386240189 /nfs/dbraw/zinc/24/01/89/386240189.db2.gz OKEMLONXBZAAJU-UHFFFAOYSA-N 0 3 243.351 0.169 20 0 BCADHN COC[C@@H](NC(=O)[C@@H](N)CC(C)C)C1CC1 ZINC000125364524 386240754 /nfs/dbraw/zinc/24/07/54/386240754.db2.gz DEPMLPYKFFBNQY-WDEREUQCSA-N 0 3 228.336 0.901 20 0 BCADHN CSCCN1CCSC[C@@H]1CO ZINC000336634797 386241900 /nfs/dbraw/zinc/24/19/00/386241900.db2.gz XHTFSYPVMVHASD-QMMMGPOBSA-N 0 3 207.364 0.759 20 0 BCADHN C[C@H](C(=O)N1C[C@@H](N)Cc2ccccc21)N(C)C ZINC000638350040 386242362 /nfs/dbraw/zinc/24/23/62/386242362.db2.gz AOMFORJLYMQGCR-PWSUYJOCSA-N 0 3 247.342 0.853 20 0 BCADHN CO[C@@H]1C[C@H](NC(=O)C2(N)CC2)C1(C)C ZINC000226379863 386243864 /nfs/dbraw/zinc/24/38/64/386243864.db2.gz KFCCBOFGKNUGNY-JGVFFNPUSA-N 0 3 212.293 0.407 20 0 BCADHN COC[C@H](NC(=O)C1(N)CCCC1)C1CC1 ZINC000125382738 386244918 /nfs/dbraw/zinc/24/49/18/386244918.db2.gz YJQFJAPARCTQRH-JTQLQIEISA-N 0 3 226.320 0.799 20 0 BCADHN CC(C)N(Cc1ccco1)C[C@@H](O)CO ZINC000336644019 386245850 /nfs/dbraw/zinc/24/58/50/386245850.db2.gz FHDGAOURWRSABF-SNVBAGLBSA-N 0 3 213.277 0.843 20 0 BCADHN Cc1nccn1CCN1CCc2nc[nH]c2C1 ZINC000647932415 386247377 /nfs/dbraw/zinc/24/73/77/386247377.db2.gz AAQSEKPKFPIYQZ-UHFFFAOYSA-N 0 3 231.303 0.973 20 0 BCADHN C[C@H]1SCCN(CCOCCO)[C@@H]1C ZINC000125399201 386251468 /nfs/dbraw/zinc/25/14/68/386251468.db2.gz FGICWZIZLALLTO-NXEZZACHSA-N 0 3 219.350 0.821 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000416275315 386251822 /nfs/dbraw/zinc/25/18/22/386251822.db2.gz HUVSICHYSYQZAM-WZRBSPASSA-N 0 3 240.347 0.890 20 0 BCADHN CCN(CCS(=O)(=O)N(C)C)CC1CCC1 ZINC000336645129 386252199 /nfs/dbraw/zinc/25/21/99/386252199.db2.gz CQUNALCYINIZBH-UHFFFAOYSA-N 0 3 248.392 1.000 20 0 BCADHN Cc1noc(CCCN2CC[C@H](O)C2)n1 ZINC000336645600 386252605 /nfs/dbraw/zinc/25/26/05/386252605.db2.gz IIIZLCKWTLVGHV-VIFPVBQESA-N 0 3 211.265 0.377 20 0 BCADHN CO[C@H]1CCN(CCN2CCCC2=O)C1 ZINC000336645498 386252721 /nfs/dbraw/zinc/25/27/21/386252721.db2.gz IBODJISUQMHGDC-JTQLQIEISA-N 0 3 212.293 0.330 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1ncoc1C ZINC000125410745 386253630 /nfs/dbraw/zinc/25/36/30/386253630.db2.gz PJOQZUUDTVRWEH-XCBNKYQSSA-N 0 3 225.292 0.973 20 0 BCADHN Cc1ocnc1CNC(=O)[C@H](N)C(C)(C)C ZINC000125410314 386253727 /nfs/dbraw/zinc/25/37/27/386253727.db2.gz VOEDXBICDPFGTH-VIFPVBQESA-N 0 3 225.292 0.973 20 0 BCADHN CN(C)C/C=C/C(=O)NCc1cnn(C)c1 ZINC000264651000 386257461 /nfs/dbraw/zinc/25/74/61/386257461.db2.gz SJGRHBXQQHNGIK-SNAWJCMRSA-N 0 3 222.292 0.154 20 0 BCADHN CCN(CCOCCO)CCOC1CCC1 ZINC000347191288 386257793 /nfs/dbraw/zinc/25/77/93/386257793.db2.gz UUHRAMGQJJVKFF-UHFFFAOYSA-N 0 3 231.336 0.886 20 0 BCADHN CC[S@](=O)CC(=O)N[C@@H](C)CCN(C)C ZINC000346339832 386194191 /nfs/dbraw/zinc/19/41/91/386194191.db2.gz QKQODYNBVFBGTM-VFZGTOFNSA-N 0 3 234.365 0.211 20 0 BCADHN CC[S@](=O)CC(=O)NC[C@H](C)N(C)C1CC1 ZINC000346338844 386195069 /nfs/dbraw/zinc/19/50/69/386195069.db2.gz PAMCOZAPMLIOJR-FVMDXXJSSA-N 0 3 246.376 0.354 20 0 BCADHN C[C@H](CN1CCCCCC1)NC(=O)[C@H](C)O ZINC000346338714 386195115 /nfs/dbraw/zinc/19/51/15/386195115.db2.gz SIANTCDKWMAFFU-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN CC[S@@](=O)CC(=O)N[C@H](C)CCN(C)C ZINC000346339830 386195379 /nfs/dbraw/zinc/19/53/79/386195379.db2.gz QKQODYNBVFBGTM-RFAUZJTJSA-N 0 3 234.365 0.211 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)c1ncon1 ZINC000125487022 386259108 /nfs/dbraw/zinc/25/91/08/386259108.db2.gz QBBVACLGYDHFIX-PRJMDXOYSA-N 0 3 226.280 0.620 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)CNC2 ZINC000131133596 386195860 /nfs/dbraw/zinc/19/58/60/386195860.db2.gz PVGJODIENVWYJC-MRVPVSSYSA-N 0 3 248.282 0.581 20 0 BCADHN C[C@H](O)CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000338981226 386195884 /nfs/dbraw/zinc/19/58/84/386195884.db2.gz GEXXPLQYMXHSBD-RNJXMRFFSA-N 0 3 227.226 0.755 20 0 BCADHN CCCCN(CC(N)=O)C[C@@H](O)C(C)C ZINC000340280198 386196709 /nfs/dbraw/zinc/19/67/09/386196709.db2.gz QTONFBRFSJXEGD-SNVBAGLBSA-N 0 3 216.325 0.591 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2ccncn2)C1 ZINC000275273425 386196986 /nfs/dbraw/zinc/19/69/86/386196986.db2.gz JMFALAOAKGCQOQ-SNVBAGLBSA-N 0 3 234.303 0.643 20 0 BCADHN CC[C@H](O)CN1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000339118050 386259199 /nfs/dbraw/zinc/25/91/99/386259199.db2.gz DNLIFJJDROOJDL-VWYCJHECSA-N 0 3 229.320 0.888 20 0 BCADHN CC/C=C/CNC(=O)NCCN(C)CCOC ZINC000296732477 386198218 /nfs/dbraw/zinc/19/82/18/386198218.db2.gz UXYCNVRURCYOAR-AATRIKPKSA-N 0 3 243.351 0.830 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000275290781 386198359 /nfs/dbraw/zinc/19/83/59/386198359.db2.gz VESSEFPCTHEBBN-ROSGPLSXSA-N 0 3 226.320 0.380 20 0 BCADHN COCC(C)(C)N1CCN(CCO)CC1 ZINC000425513272 386287777 /nfs/dbraw/zinc/28/77/77/386287777.db2.gz ZKIXWVHHHNFCNO-UHFFFAOYSA-N 0 3 216.325 0.021 20 0 BCADHN CCOC[C@@H](C)N[C@@H]1CNCCC1(F)F ZINC000415004923 386288293 /nfs/dbraw/zinc/28/82/93/386288293.db2.gz QZMSPFJHSKMXBU-RKDXNWHRSA-N 0 3 222.279 0.998 20 0 BCADHN CO[C@@H]1CN(CCn2cccn2)C[C@H]1OC ZINC000336665920 386288973 /nfs/dbraw/zinc/28/89/73/386288973.db2.gz JRIZYDAFNIIXFI-GHMZBOCLSA-N 0 3 225.292 0.229 20 0 BCADHN CCN1CCN(C(=O)CN(C)C)[C@@H](C)C1 ZINC000334480321 386293567 /nfs/dbraw/zinc/29/35/67/386293567.db2.gz UXTCYWUKKNRCTA-JTQLQIEISA-N 0 3 213.325 0.101 20 0 BCADHN CN(Cc1cccnc1)C(=O)C[C@@H]1CNCCO1 ZINC000091299450 386294245 /nfs/dbraw/zinc/29/42/45/386294245.db2.gz WHCIOPJDWHSOLE-GFCCVEGCSA-N 0 3 249.314 0.419 20 0 BCADHN Cc1c(CNC(=O)[C@@H](N)C(C)C)cnn1C ZINC000226413830 386296841 /nfs/dbraw/zinc/29/68/41/386296841.db2.gz BVBPLPXXMYFQPE-JTQLQIEISA-N 0 3 224.308 0.328 20 0 BCADHN CN(CCc1cncn1C)Cc1cnn(C)c1 ZINC000289411330 386297802 /nfs/dbraw/zinc/29/78/02/386297802.db2.gz TVFBNQONQNJKIC-UHFFFAOYSA-N 0 3 233.319 0.828 20 0 BCADHN CCOCCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188199254 386297871 /nfs/dbraw/zinc/29/78/71/386297871.db2.gz MZFDYHCZJNHYLN-DTWKUNHWSA-N 0 3 218.272 0.229 20 0 BCADHN Cc1cc(C)c(C(=O)NCCN(C)C)c(=O)[nH]1 ZINC000298097256 386298064 /nfs/dbraw/zinc/29/80/64/386298064.db2.gz TUWGZUCWISWYCN-UHFFFAOYSA-N 0 3 237.303 0.695 20 0 BCADHN CN(CCN1CCCC1=O)[C@H]1CCCOC1 ZINC000336661396 386299256 /nfs/dbraw/zinc/29/92/56/386299256.db2.gz BORUDOFUQFHMJY-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN CCN(CCN1CCCC1=O)[C@H]1CCOC1 ZINC000336660607 386299902 /nfs/dbraw/zinc/29/99/02/386299902.db2.gz NQHCTAMUYVEHSY-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN CN(CCN1CCCC1=O)[C@@H]1CCCOC1 ZINC000336661391 386301035 /nfs/dbraw/zinc/30/10/35/386301035.db2.gz BORUDOFUQFHMJY-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN CO[C@@H](C)CN1CCSC[C@H]1CO ZINC000336660977 386301365 /nfs/dbraw/zinc/30/13/65/386301365.db2.gz VLZRMFSWRRLEFF-DTWKUNHWSA-N 0 3 205.323 0.431 20 0 BCADHN COC[C@H]1CCN([C@H]2CCCCNC2=O)C1 ZINC000336672423 386302561 /nfs/dbraw/zinc/30/25/61/386302561.db2.gz KFJTYMRYYSFCKG-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN Cc1csc(=O)n1CCN(C)CCCCO ZINC000276320558 386303027 /nfs/dbraw/zinc/30/30/27/386303027.db2.gz DDWKZBZCNFGRID-UHFFFAOYSA-N 0 3 244.360 0.923 20 0 BCADHN CCS(=O)(=O)NCCN1CC[C@@H](C)C1 ZINC000336672238 386303476 /nfs/dbraw/zinc/30/34/76/386303476.db2.gz LPRGBISXRWLKSE-SECBINFHSA-N 0 3 220.338 0.268 20 0 BCADHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCO)C1 ZINC000081669146 386307024 /nfs/dbraw/zinc/30/70/24/386307024.db2.gz MDALGVONGVYXTG-NWDGAFQWSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@]1(F)CNCCN(c2cnccn2)C1 ZINC000416390418 386308204 /nfs/dbraw/zinc/30/82/04/386308204.db2.gz OYHYYLPTPBUUPA-SNVBAGLBSA-N 0 3 210.256 0.614 20 0 BCADHN CO[C@H](C)C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000340595375 386308762 /nfs/dbraw/zinc/30/87/62/386308762.db2.gz QMRBGDDZIRHQMV-OPRDCNLKSA-N 0 3 246.376 0.525 20 0 BCADHN CSCCCN(C)CCN1C(=O)CNC1=O ZINC000336669089 386310158 /nfs/dbraw/zinc/31/01/58/386310158.db2.gz VUXQPZSVVTVIIK-UHFFFAOYSA-N 0 3 245.348 0.223 20 0 BCADHN CC(C)[C@H](O)CN1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000336669767 386312597 /nfs/dbraw/zinc/31/25/97/386312597.db2.gz WLGHCDLJDBRGPK-IJLUTSLNSA-N 0 3 228.336 0.018 20 0 BCADHN FC1(F)CCNC[C@H]1NCC[C@H]1CCOC1 ZINC000415006266 386313610 /nfs/dbraw/zinc/31/36/10/386313610.db2.gz SRTTWRMYFBLMGD-VHSXEESVSA-N 0 3 234.290 1.000 20 0 BCADHN CC(C)[C@H](O)CN1C[C@H]2OCCN(C)[C@H]2C1 ZINC000336669769 386313556 /nfs/dbraw/zinc/31/35/56/386313556.db2.gz WLGHCDLJDBRGPK-QJPTWQEYSA-N 0 3 228.336 0.018 20 0 BCADHN CC(=O)N1CCN(C[C@@H]2CCOC2)[C@H](C)C1 ZINC000335262844 386325120 /nfs/dbraw/zinc/32/51/20/386325120.db2.gz VBYZBQIENLHJRM-PWSUYJOCSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@H](C(=O)NCCN(C)C)c1ccccn1 ZINC000339238834 386315080 /nfs/dbraw/zinc/31/50/80/386315080.db2.gz XDNRQSBQOMIYQU-JTQLQIEISA-N 0 3 221.304 0.863 20 0 BCADHN O=C(NCC1CCC1)N1CCCNCC1 ZINC000335260075 386316080 /nfs/dbraw/zinc/31/60/80/386316080.db2.gz OTJHQDAUBLUEOI-UHFFFAOYSA-N 0 3 211.309 0.791 20 0 BCADHN COCCNC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000416445454 386321125 /nfs/dbraw/zinc/32/11/25/386321125.db2.gz LPBRPENCSGZZLM-IUCAKERBSA-N 0 3 245.323 0.045 20 0 BCADHN CN(C)c1ncc(CNC[C@@H](O)C2CC2)cn1 ZINC000265256219 386321644 /nfs/dbraw/zinc/32/16/44/386321644.db2.gz PRNAPZMPLHZAFU-LLVKDONJSA-N 0 3 236.319 0.403 20 0 BCADHN COCCNC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000416445453 386321781 /nfs/dbraw/zinc/32/17/81/386321781.db2.gz LPBRPENCSGZZLM-DTWKUNHWSA-N 0 3 245.323 0.045 20 0 BCADHN CN(C[C@H]1CCCO1)C[C@@H]1COCCO1 ZINC000336650730 386263140 /nfs/dbraw/zinc/26/31/40/386263140.db2.gz SYPTVDMKIUBZEZ-GHMZBOCLSA-N 0 3 215.293 0.513 20 0 BCADHN CCO[C@@H](C)C(=O)NCC1(N(C)C)CC1 ZINC000416299478 386263923 /nfs/dbraw/zinc/26/39/23/386263923.db2.gz GGLRARPROKXNJU-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H](C(=O)NCC1(N(C)C)CC1)n1cccn1 ZINC000416300531 386264121 /nfs/dbraw/zinc/26/41/21/386264121.db2.gz JGERCUJFERDNFG-SNVBAGLBSA-N 0 3 236.319 0.655 20 0 BCADHN CS[C@@H](C)C(=O)NCC1(N(C)C)CC1 ZINC000416298635 386264831 /nfs/dbraw/zinc/26/48/31/386264831.db2.gz DEPNIDUOMLDCRC-QMMMGPOBSA-N 0 3 216.350 0.948 20 0 BCADHN COCCNCCNC(=O)N[C@H]1CCC[C@H]1C ZINC000417522750 386265176 /nfs/dbraw/zinc/26/51/76/386265176.db2.gz QOZCHAYIFWQWQD-MNOVXSKESA-N 0 3 243.351 0.710 20 0 BCADHN CN(C)C1(CNC(=O)COc2cccnc2)CC1 ZINC000416302083 386265678 /nfs/dbraw/zinc/26/56/78/386265678.db2.gz NDLSZWVVLBQSAK-UHFFFAOYSA-N 0 3 249.314 0.671 20 0 BCADHN Cc1ccc(NC(=O)[C@H](C)N)cc1C(N)=O ZINC000262538566 386266743 /nfs/dbraw/zinc/26/67/43/386266743.db2.gz QVRFKNXAYYDXRI-ZETCQYMHSA-N 0 3 221.260 0.380 20 0 BCADHN CO[C@H](C(=O)NCC1(N(C)C)CC1)C1CC1 ZINC000416305051 386268318 /nfs/dbraw/zinc/26/83/18/386268318.db2.gz ADCMFWKXDIQIFN-JTQLQIEISA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@@H](C)CN(C)C[C@@H]1COCCO1 ZINC000336676060 386323833 /nfs/dbraw/zinc/32/38/33/386323833.db2.gz CAUNFVQZQLUKLI-VHSXEESVSA-N 0 3 203.282 0.369 20 0 BCADHN Cc1cc(=O)[nH]c(C(=O)NC[C@H]2CCCN2C)c1 ZINC000340306006 386269491 /nfs/dbraw/zinc/26/94/91/386269491.db2.gz NZOGNLZZHXFAOL-SNVBAGLBSA-N 0 3 249.314 0.920 20 0 BCADHN CN(C)C1(CNC(=O)[C@H]2CCCCO2)CC1 ZINC000416307838 386270057 /nfs/dbraw/zinc/27/00/57/386270057.db2.gz MZRBTXCEHXUYLA-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CN(C)C1(CNC(=O)[C@@](C)(O)C2CC2)CC1 ZINC000416308987 386270185 /nfs/dbraw/zinc/27/01/85/386270185.db2.gz SXZKKTKESXWGKB-NSHDSACASA-N 0 3 226.320 0.358 20 0 BCADHN COC[C@H](C)CC(=O)NCC1(N(C)C)CC1 ZINC000416308925 386271086 /nfs/dbraw/zinc/27/10/86/386271086.db2.gz SKYLNBLYYRLQJI-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000276076232 386271724 /nfs/dbraw/zinc/27/17/24/386271724.db2.gz NPZIABYJWQNAEP-JTQLQIEISA-N 0 3 236.315 0.745 20 0 BCADHN CN(CCN1CCCC1)Cc1cc[nH]n1 ZINC000336653843 386271946 /nfs/dbraw/zinc/27/19/46/386271946.db2.gz YVXXNJWKPNOSBR-UHFFFAOYSA-N 0 3 208.309 0.937 20 0 BCADHN CNS(=O)(=O)C[C@@H]1CCCN1CC1CC1 ZINC000336653938 386272476 /nfs/dbraw/zinc/27/24/76/386272476.db2.gz ZIUFHBBWLNRUFI-JTQLQIEISA-N 0 3 232.349 0.410 20 0 BCADHN C[C@H](CNC(=O)c1cncn1C)N(C)C ZINC000289190379 386273234 /nfs/dbraw/zinc/27/32/34/386273234.db2.gz GUNPFMKODYKDHR-MRVPVSSYSA-N 0 3 210.281 0.100 20 0 BCADHN CN(C)C1(CNC(=O)c2cn(C)cn2)CC1 ZINC000416309748 386273434 /nfs/dbraw/zinc/27/34/34/386273434.db2.gz XEWLIKBQTHMRFM-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN CN(C)C1(CNC(=O)c2cocn2)CCC1 ZINC000276108605 386273552 /nfs/dbraw/zinc/27/35/52/386273552.db2.gz ZVBSKYCMZUVKLK-UHFFFAOYSA-N 0 3 223.276 0.889 20 0 BCADHN CN(CCC(N)=O)Cc1ccc2c(c1)ncn2C ZINC000289238711 386275536 /nfs/dbraw/zinc/27/55/36/386275536.db2.gz DQCNDRHNWUFLBV-UHFFFAOYSA-N 0 3 246.314 0.881 20 0 BCADHN Cc1ncc(C(=O)NC[C@H](C)N(C)C)[nH]1 ZINC000264871174 386277420 /nfs/dbraw/zinc/27/74/20/386277420.db2.gz RDPYVJMYBHFPKD-ZETCQYMHSA-N 0 3 210.281 0.398 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)[C@@H]1CCCNC1=O ZINC000336661818 386278057 /nfs/dbraw/zinc/27/80/57/386278057.db2.gz CGDRYBSQFXGOEX-AXFHLTTASA-N 0 3 226.320 0.358 20 0 BCADHN COC[C@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000081061249 386278163 /nfs/dbraw/zinc/27/81/63/386278163.db2.gz UQZUYPDCOUIKJR-VHSXEESVSA-N 0 3 228.336 0.855 20 0 BCADHN COCCN(C)CCCNC(=O)NCCF ZINC000437796427 386278258 /nfs/dbraw/zinc/27/82/58/386278258.db2.gz HXNIEOJCCLRIMG-UHFFFAOYSA-N 0 3 235.303 0.223 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CC[C@H](C)O2)C[C@H]1OC ZINC000336661793 386280003 /nfs/dbraw/zinc/28/00/03/386280003.db2.gz AGUUCANYFHTXFV-NNYUYHANSA-N 0 3 229.320 0.900 20 0 BCADHN Cc1ncc(CNCCC(=O)NC(C)C)cn1 ZINC000339289255 386340660 /nfs/dbraw/zinc/34/06/60/386340660.db2.gz ICZLAHACKZSBIK-UHFFFAOYSA-N 0 3 236.319 0.789 20 0 BCADHN COC(=O)CCN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425539946 386340740 /nfs/dbraw/zinc/34/07/40/386340740.db2.gz DLOQMCXFGAUMCE-MRVPVSSYSA-N 0 3 224.264 0.157 20 0 BCADHN COC[C@H]1CCN1C[C@@H](O)CN(C)C1CC1 ZINC000339290048 386340919 /nfs/dbraw/zinc/34/09/19/386340919.db2.gz HSVKYEVIHCUWRB-NEPJUHHUSA-N 0 3 228.336 0.162 20 0 BCADHN CCOCC[C@H](O)CN1CC[C@@H]1COC ZINC000339288409 386341301 /nfs/dbraw/zinc/34/13/01/386341301.db2.gz VXSHPZDJVPNZFJ-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN CN(CCC1CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336684545 386341311 /nfs/dbraw/zinc/34/13/11/386341311.db2.gz ZRHSESANNYBOAV-LLVKDONJSA-N 0 3 246.376 0.752 20 0 BCADHN CCC1(O)CN(C(=O)CN(C)C(C)C)C1 ZINC000339289750 386341381 /nfs/dbraw/zinc/34/13/81/386341381.db2.gz HSQMFWCNOWFUFJ-UHFFFAOYSA-N 0 3 214.309 0.310 20 0 BCADHN Cc1nc(CCN(CCO)C[C@H](C)O)cs1 ZINC000289674989 386341953 /nfs/dbraw/zinc/34/19/53/386341953.db2.gz GDSFEOMBGHTWJJ-VIFPVBQESA-N 0 3 244.360 0.669 20 0 BCADHN Cc1nonc1C(=O)NC[C@H]1CCN(C)C1 ZINC000265507678 386344115 /nfs/dbraw/zinc/34/41/15/386344115.db2.gz FFPHYZNHJDYZNF-MRVPVSSYSA-N 0 3 224.264 0.060 20 0 BCADHN CCN(CCn1cncn1)[C@@H]1CCOC1 ZINC000336686084 386344459 /nfs/dbraw/zinc/34/44/59/386344459.db2.gz KVIPTKKSIACQNC-SNVBAGLBSA-N 0 3 210.281 0.389 20 0 BCADHN COC(=O)[C@H](C)CN(C)C[C@H]1CN(C)C(=O)O1 ZINC000496419137 533169492 /nfs/dbraw/zinc/16/94/92/533169492.db2.gz KGUUUMYDTNSOTG-BDAKNGLRSA-N 0 3 244.291 0.178 20 0 BCADHN COC[C@@H]1CCN1CC1(O)CCOCC1 ZINC000339292640 386345301 /nfs/dbraw/zinc/34/53/01/386345301.db2.gz IHRDPONSFNVSFO-JTQLQIEISA-N 0 3 215.293 0.249 20 0 BCADHN CSCCCN(C)[C@H]1CCCNC1=O ZINC000336685797 386345419 /nfs/dbraw/zinc/34/54/19/386345419.db2.gz LBBHZPCWCZHCEX-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN COC(=O)CNC(=O)CCN1CC[C@@](C)(F)C1 ZINC000347351032 386345781 /nfs/dbraw/zinc/34/57/81/386345781.db2.gz MRSQNSPHCVWLKS-LLVKDONJSA-N 0 3 246.282 0.100 20 0 BCADHN CC(C)N1CCC[C@H](N2C[C@@H](O)C[C@H]2C)C1=O ZINC000336687435 386346582 /nfs/dbraw/zinc/34/65/82/386346582.db2.gz GSKXQXSRCNWJRB-WOPDTQHZSA-N 0 3 240.347 0.841 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000336687165 386346680 /nfs/dbraw/zinc/34/66/80/386346680.db2.gz GLXYBEDWIXEAJX-WOPDTQHZSA-N 0 3 238.331 0.623 20 0 BCADHN Cc1nonc1C(=O)NC[C@H](C)N(C)C ZINC000265539058 386347532 /nfs/dbraw/zinc/34/75/32/386347532.db2.gz KLQDMYDTHCORIU-LURJTMIESA-N 0 3 212.253 0.058 20 0 BCADHN COC[C@@H](O)CN1CCc2cc[nH]c(=O)c2C1 ZINC000276892401 386386580 /nfs/dbraw/zinc/38/65/80/386386580.db2.gz GJCJNRGZODWIOK-JTQLQIEISA-N 0 3 238.287 0.153 20 0 BCADHN CC(C)OC(=O)CCN1[C@H](CO)CC[C@H]1CO ZINC000347308937 386351126 /nfs/dbraw/zinc/35/11/26/386351126.db2.gz NUHNARCOMOKZDM-QWRGUYRKSA-N 0 3 245.319 0.146 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1ccn(C)n1 ZINC000265632807 386354203 /nfs/dbraw/zinc/35/42/03/386354203.db2.gz JVWJRMRVYHIDCI-SNAWJCMRSA-N 0 3 208.265 0.476 20 0 BCADHN CC[C@H]1CCN(CCN2CCCS2(=O)=O)C1 ZINC000336689447 386355144 /nfs/dbraw/zinc/35/51/44/386355144.db2.gz ZDHIWJQQUBSJAE-NSHDSACASA-N 0 3 246.376 0.754 20 0 BCADHN CO[C@@H](C)CN1CC[C@H](N2CCCC2=O)C1 ZINC000336689600 386355456 /nfs/dbraw/zinc/35/54/56/386355456.db2.gz ZNWRIPFTVYEUQQ-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN CN(CCN1CCOCC1)C[C@H](O)C(C)(C)C ZINC000336685582 386356529 /nfs/dbraw/zinc/35/65/29/386356529.db2.gz DMHMBTPFKWZJCK-LBPRGKRZSA-N 0 3 244.379 0.657 20 0 BCADHN C[C@H](CN(CCO)CC1CC1)CS(C)(=O)=O ZINC000336684726 386358169 /nfs/dbraw/zinc/35/81/69/386358169.db2.gz UOLHTNYHZBRQDJ-SNVBAGLBSA-N 0 3 249.376 0.371 20 0 BCADHN C[C@H](O)CCN1CC[C@@H](N2CCCC2=O)C1 ZINC000336685447 386358534 /nfs/dbraw/zinc/35/85/34/386358534.db2.gz VHKZXHIALKETPA-WDEREUQCSA-N 0 3 226.320 0.454 20 0 BCADHN CCN(C)CCNCc1cn2cccnc2n1 ZINC000298547473 386358614 /nfs/dbraw/zinc/35/86/14/386358614.db2.gz UHRXWTJNAZRSJC-UHFFFAOYSA-N 0 3 233.319 0.771 20 0 BCADHN CCN(CCO)CCNC(=O)NC1CC(C)C1 ZINC000347322639 386360292 /nfs/dbraw/zinc/36/02/92/386360292.db2.gz ROALAHCTCUEPAE-UHFFFAOYSA-N 0 3 243.351 0.398 20 0 BCADHN C[C@@H](NC(=O)/C=C/CN(C)C)[C@@H]1CCCO1 ZINC000265692517 386361245 /nfs/dbraw/zinc/36/12/45/386361245.db2.gz ZDNVOSGTNKVAAX-CEIHKIRRSA-N 0 3 226.320 0.788 20 0 BCADHN c1nc2c([nH]1)CN(C[C@H]1CCOC1)CC2 ZINC000647933444 386361560 /nfs/dbraw/zinc/36/15/60/386361560.db2.gz OCXPTOQDJOXODI-SECBINFHSA-N 0 3 207.277 0.804 20 0 BCADHN CN(C)C/C=C/C(=O)NCc1ccc(=O)[nH]c1 ZINC000265708485 386362084 /nfs/dbraw/zinc/36/20/84/386362084.db2.gz UFSQCMLOFWBBTA-ONEGZZNKSA-N 0 3 235.287 0.521 20 0 BCADHN CN(Cc1cnccn1)C(=O)[C@@H](N)C(C)(C)C ZINC000237183626 386362616 /nfs/dbraw/zinc/36/26/16/386362616.db2.gz FNUSHRACXHKDFE-SNVBAGLBSA-N 0 3 236.319 0.808 20 0 BCADHN CN(C)C/C=C/C(=O)NCC1(O)CCCC1 ZINC000265722565 386363362 /nfs/dbraw/zinc/36/33/62/386363362.db2.gz ZUJDMBHIQNYVAV-AATRIKPKSA-N 0 3 226.320 0.526 20 0 BCADHN CO[C@@H]1CN(CC2(O)CCC2)C[C@@H]1OC ZINC000336694544 386364324 /nfs/dbraw/zinc/36/43/24/386364324.db2.gz FFQDOOKFCFWIEJ-AOOOYVTPSA-N 0 3 215.293 0.247 20 0 BCADHN CCOC(=O)CCN1CCSC[C@H]1CCO ZINC000347362760 386366455 /nfs/dbraw/zinc/36/64/55/386366455.db2.gz COZYVFKCOGRBGL-SNVBAGLBSA-N 0 3 247.360 0.739 20 0 BCADHN CC[C@@H](CO)N1CCN(C[C@H]2CCOC2)CC1 ZINC000336694341 386371258 /nfs/dbraw/zinc/37/12/58/386371258.db2.gz JBTKEOKUGHZBHK-OLZOCXBDSA-N 0 3 242.363 0.411 20 0 BCADHN Cc1ccc2ncc(CNC[C@H](O)CO)n2c1 ZINC000276751570 386371322 /nfs/dbraw/zinc/37/13/22/386371322.db2.gz LTPSPPZRUKLRAE-NSHDSACASA-N 0 3 235.287 0.086 20 0 BCADHN CC[C@H](CO)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000336694342 386372474 /nfs/dbraw/zinc/37/24/74/386372474.db2.gz JBTKEOKUGHZBHK-QWHCGFSZSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@]1(F)CCN(CCCC(=O)NC(N)=O)C1 ZINC000347379303 386373453 /nfs/dbraw/zinc/37/34/53/386373453.db2.gz MTZFDXPVHIGVQL-JTQLQIEISA-N 0 3 231.271 0.395 20 0 BCADHN CO[C@H]1CN(CCN2CCOCC2)CC[C@@H]1C ZINC000336696007 386374897 /nfs/dbraw/zinc/37/48/97/386374897.db2.gz PPHGWYYMTBORGO-STQMWFEESA-N 0 3 242.363 0.675 20 0 BCADHN CN(C)C[C@H]1CN(C[C@@H]2CCCOC2)CCO1 ZINC000336696130 386375431 /nfs/dbraw/zinc/37/54/31/386375431.db2.gz JTTPYSNPGKYDDW-STQMWFEESA-N 0 3 242.363 0.675 20 0 BCADHN CCNC(=O)CCN1CC[C@](C)(F)C1 ZINC000347383149 386375844 /nfs/dbraw/zinc/37/58/44/386375844.db2.gz OBUOKSXKPIINOI-JTQLQIEISA-N 0 3 202.273 0.947 20 0 BCADHN C[C@H](N)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000237407874 386375986 /nfs/dbraw/zinc/37/59/86/386375986.db2.gz PAQSTMAEAPRDOP-QMMMGPOBSA-N 0 3 222.292 0.429 20 0 BCADHN Cc1c[nH]nc1CNCCCC(=O)NC1CC1 ZINC000289957622 386376174 /nfs/dbraw/zinc/37/61/74/386376174.db2.gz QMKHCYVMPCRQDG-UHFFFAOYSA-N 0 3 236.319 0.867 20 0 BCADHN COC[C@H](NCC(=O)NCC(F)F)C(C)C ZINC000336774924 386377444 /nfs/dbraw/zinc/37/74/44/386377444.db2.gz XLWWAFQNZQTOEC-QMMMGPOBSA-N 0 3 238.278 0.628 20 0 BCADHN COC(=O)c1cc(CN[C@@H](C)CN(C)C)c[nH]1 ZINC000289969427 386377595 /nfs/dbraw/zinc/37/75/95/386377595.db2.gz DCMODBUOTNIRHI-VIFPVBQESA-N 0 3 239.319 0.841 20 0 BCADHN CO[C@H](CN)C(=O)NC1(c2ccccc2)CC1 ZINC000289978053 386379395 /nfs/dbraw/zinc/37/93/95/386379395.db2.gz NUCSCXIHFRGCAH-LLVKDONJSA-N 0 3 234.299 0.766 20 0 BCADHN C[C@@H](N)C(=O)N(CCN(C)C)c1ccccc1 ZINC000237444399 386380062 /nfs/dbraw/zinc/38/00/62/386380062.db2.gz HQABWJLNUDJCNO-LLVKDONJSA-N 0 3 235.331 0.928 20 0 BCADHN CN(CCOCCO)[C@@H](CO)c1ccccc1 ZINC000265877443 386381529 /nfs/dbraw/zinc/38/15/29/386381529.db2.gz OWTMBJWQQJCICX-ZDUSSCGKSA-N 0 3 239.315 0.661 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)C1Cc2ccccc2C1 ZINC000290005766 386382698 /nfs/dbraw/zinc/38/26/98/386382698.db2.gz PUXLSJBXWPXFRK-ZDUSSCGKSA-N 0 3 248.326 0.586 20 0 BCADHN Cc1ocnc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000237492413 386383832 /nfs/dbraw/zinc/38/38/32/386383832.db2.gz WNKAKYJPUJJQCV-HTQZYQBOSA-N 0 3 223.276 0.805 20 0 BCADHN CO[C@H](C)[C@H](C)NCC1(S(C)(=O)=O)CCC1 ZINC000336775432 386384224 /nfs/dbraw/zinc/38/42/24/386384224.db2.gz YZYPOEOPVZSWDO-VHSXEESVSA-N 0 3 249.376 0.967 20 0 BCADHN OCc1ccc(CN[C@H]2C[C@@H](O)C2)cc1 ZINC000639240131 386384630 /nfs/dbraw/zinc/38/46/30/386384630.db2.gz LEIQDVZLMSTWDL-TXEJJXNPSA-N 0 3 207.273 0.792 20 0 BCADHN CON(C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000276858812 386384689 /nfs/dbraw/zinc/38/46/89/386384689.db2.gz JZSBGXWBLWHKER-SECBINFHSA-N 0 3 227.308 0.840 20 0 BCADHN CN1CCC[C@H]1CNC(=O)N1CC[C@H](F)C1 ZINC000334496854 386385220 /nfs/dbraw/zinc/38/52/20/386385220.db2.gz AFFYELVJGFJRIK-UWVGGRQHSA-N 0 3 229.299 0.834 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N(C)CC(C)(C)C ZINC000339254081 386325610 /nfs/dbraw/zinc/32/56/10/386325610.db2.gz MPCHQZXDVSNMKT-ZETCQYMHSA-N 0 3 215.297 0.548 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H](O)c1ccc(C)cc1 ZINC000236910520 386325710 /nfs/dbraw/zinc/32/57/10/386325710.db2.gz MUEYBCUIHYFORK-RYUDHWBXSA-N 0 3 236.315 0.882 20 0 BCADHN C[C@H](CNC(=O)/C=C/c1ccnn1C)N(C)C ZINC000298331103 386326416 /nfs/dbraw/zinc/32/64/16/386326416.db2.gz FARFFKRXQYDPGB-BRAIEQGRSA-N 0 3 236.319 0.500 20 0 BCADHN CC[C@H](N)C(=O)NCc1cccc(NC(C)=O)c1 ZINC000236915171 386326758 /nfs/dbraw/zinc/32/67/58/386326758.db2.gz MALNDPRYQPBUOT-LBPRGKRZSA-N 0 3 249.314 0.999 20 0 BCADHN COC[C@H]1CCN(CCN2C(=O)CCC2=O)C1 ZINC000336676889 386327345 /nfs/dbraw/zinc/32/73/45/386327345.db2.gz ARXXFPGCSXCSFP-JTQLQIEISA-N 0 3 240.303 0.104 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000236925783 386327506 /nfs/dbraw/zinc/32/75/06/386327506.db2.gz IRWLVQDHVBPGOC-ONGXEEELSA-N 0 3 249.314 0.867 20 0 BCADHN CCO[C@@H]1COCC[C@@H]1NCc1ccnn1C ZINC000353155417 386329149 /nfs/dbraw/zinc/32/91/49/386329149.db2.gz QHXHZBAXIGFLIB-NWDGAFQWSA-N 0 3 239.319 0.704 20 0 BCADHN CCN(CC)CC(=O)NCc1cnn(CC)c1 ZINC000265358044 386330260 /nfs/dbraw/zinc/33/02/60/386330260.db2.gz ACQRZFBSIBSTQC-UHFFFAOYSA-N 0 3 238.335 0.861 20 0 BCADHN CC[C@H](O)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000336683345 386330977 /nfs/dbraw/zinc/33/09/77/386330977.db2.gz DPNQCMVRKWEIMO-STQMWFEESA-N 0 3 242.363 0.411 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](CC)C(=O)OC ZINC000236970606 386331949 /nfs/dbraw/zinc/33/19/49/386331949.db2.gz UHEBDEUTSNXOEN-HLTSFMKQSA-N 0 3 230.308 0.428 20 0 BCADHN CCCCOCCN1[C@H](CO)CC[C@H]1CO ZINC000347334864 386332315 /nfs/dbraw/zinc/33/23/15/386332315.db2.gz NCERNQKIUIJGKE-RYUDHWBXSA-N 0 3 231.336 0.621 20 0 BCADHN CC[C@@H](C)N(C)CC1(O)CCS(=O)(=O)CC1 ZINC000336680443 386334171 /nfs/dbraw/zinc/33/41/71/386334171.db2.gz QELXKPSYPLRKFI-SNVBAGLBSA-N 0 3 249.376 0.656 20 0 BCADHN CN(C)C(=O)CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000334490403 386337714 /nfs/dbraw/zinc/33/77/14/386337714.db2.gz LZOCUXUJGAJMSV-RYUDHWBXSA-N 0 3 240.347 0.823 20 0 BCADHN CO[C@H]1CCCN(CCN2CCNC2=O)C1 ZINC000336680771 386337823 /nfs/dbraw/zinc/33/78/23/386337823.db2.gz XRVXQWQROKUEJH-JTQLQIEISA-N 0 3 227.308 0.122 20 0 BCADHN CCN1C[C@@H](NC2CC(OC)C2)CC1=O ZINC000391476317 386338977 /nfs/dbraw/zinc/33/89/77/386338977.db2.gz KSBCTMBQEVVFMT-KYHHOPLUSA-N 0 3 212.293 0.374 20 0 BCADHN Cc1[nH]nc(C(=O)N2CCN[C@@H](C)[C@H]2C)c1C ZINC000277443675 386436763 /nfs/dbraw/zinc/43/67/63/386436763.db2.gz FGAXVIMWXAKZKR-VHSXEESVSA-N 0 3 236.319 0.849 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1cnns1 ZINC000277446882 386437297 /nfs/dbraw/zinc/43/72/97/386437297.db2.gz XCIAEHSWQRPVON-ONEGZZNKSA-N 0 3 212.278 0.594 20 0 BCADHN O=C(c1cnn2cccnc12)N1CCCNCC1 ZINC000347529982 386442026 /nfs/dbraw/zinc/44/20/26/386442026.db2.gz XYTUBHPSLFQFFH-UHFFFAOYSA-N 0 3 245.286 0.165 20 0 BCADHN Cc1nnc(CN(C)[C@@H]2CCN(C3CC3)C2)n1C ZINC000336720894 386452788 /nfs/dbraw/zinc/45/27/88/386452788.db2.gz WSKHFHATECPGAL-GFCCVEGCSA-N 0 3 249.362 0.792 20 0 BCADHN Cc1cnn(C)c1CN1CC[C@@H]([C@H](C)O)C1 ZINC000290499315 386447071 /nfs/dbraw/zinc/44/70/71/386447071.db2.gz WLVGRBZYHMUYIY-WDEREUQCSA-N 0 3 223.320 0.931 20 0 BCADHN CC(C)(C)CCNC(=O)NC[C@@H]1CNCCO1 ZINC000417113877 386448062 /nfs/dbraw/zinc/44/80/62/386448062.db2.gz OBLVBHMQBGGYOZ-JTQLQIEISA-N 0 3 243.351 0.710 20 0 BCADHN CN(CCC[NH3+])C(=O)c1cc(F)c[n-]c1=O ZINC000637855388 386449466 /nfs/dbraw/zinc/44/94/66/386449466.db2.gz UZRHVCBXNWMZIQ-UHFFFAOYSA-N 0 3 227.239 0.347 20 0 BCADHN OCCN(CCO)CC[C@@H]1CCCCO1 ZINC000347405254 386389892 /nfs/dbraw/zinc/38/98/92/386389892.db2.gz YETGPNBQJDJYHH-NSHDSACASA-N 0 3 217.309 0.232 20 0 BCADHN C[C@@H](O)CCN1CCC(N2CCCC2=O)CC1 ZINC000336703671 386390353 /nfs/dbraw/zinc/39/03/53/386390353.db2.gz BLEJJCVQVZZIOS-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN c1n[nH]cc1CCN1CCN(C2CC2)CC1 ZINC000290064603 386390966 /nfs/dbraw/zinc/39/09/66/386390966.db2.gz POBPPTZOWMAJGW-UHFFFAOYSA-N 0 3 220.320 0.732 20 0 BCADHN CO[C@@H]1CN(CCc2ccccn2)C[C@@H]1OC ZINC000276923952 386392251 /nfs/dbraw/zinc/39/22/51/386392251.db2.gz RZAVGHCBNKEUIA-BETUJISGSA-N 0 3 236.315 0.970 20 0 BCADHN COC[C@@H]1CCN(CCN2CCCC2=O)C1 ZINC000336704130 386392466 /nfs/dbraw/zinc/39/24/66/386392466.db2.gz PGCRUTZCFOQUIU-LLVKDONJSA-N 0 3 226.320 0.577 20 0 BCADHN C[C@@](O)(CC(=O)NCCN1CCCC1)C1CC1 ZINC000339378117 386393126 /nfs/dbraw/zinc/39/31/26/386393126.db2.gz WHRJESTWRRURFD-CYBMUJFWSA-N 0 3 240.347 0.750 20 0 BCADHN O=C(CN1CC[C@@H](CCCO)C1)NCC1CC1 ZINC000452128072 386393315 /nfs/dbraw/zinc/39/33/15/386393315.db2.gz LTRHCDYQQZOGGR-GFCCVEGCSA-N 0 3 240.347 0.607 20 0 BCADHN C[C@](O)(CC(=O)NCCN1CCCC1)C1CC1 ZINC000339378118 386393754 /nfs/dbraw/zinc/39/37/54/386393754.db2.gz WHRJESTWRRURFD-ZDUSSCGKSA-N 0 3 240.347 0.750 20 0 BCADHN CCC[N@H+](C)CCCOC([O-])=NC(N)=O ZINC000093168773 386393890 /nfs/dbraw/zinc/39/38/90/386393890.db2.gz 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209.293 0.685 20 0 BCADHN CC(C)[C@@H]1CN(C)CCN1CCn1cncn1 ZINC000336700374 386400850 /nfs/dbraw/zinc/40/08/50/386400850.db2.gz LFDYTTYZISLYEX-LBPRGKRZSA-N 0 3 237.351 0.550 20 0 BCADHN O=C1NC(=O)[C@@H]2CN([C@@H]3C=CCCC3)CC[C@H]12 ZINC000366356739 386402630 /nfs/dbraw/zinc/40/26/30/386402630.db2.gz PNTQLNRBVNFTGN-OUAUKWLOSA-N 0 3 234.299 0.690 20 0 BCADHN COCC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000347448008 386406039 /nfs/dbraw/zinc/40/60/39/386406039.db2.gz SNKDTYHCXFZXPA-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN CN(C)CC1(NC(=O)[C@H]2CCCO2)CCC1 ZINC000339400454 386407525 /nfs/dbraw/zinc/40/75/25/386407525.db2.gz PCYWPQWLIMCGJQ-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN Cn1cc(NC(=O)C2CCN(C)CC2)cn1 ZINC000266171686 386407587 /nfs/dbraw/zinc/40/75/87/386407587.db2.gz SIAANRLEWCKMKG-UHFFFAOYSA-N 0 3 222.292 0.700 20 0 BCADHN CS(=O)(=O)NC[C@@H]1CCCCN1CC1CC1 ZINC000336702484 386407926 /nfs/dbraw/zinc/40/79/26/386407926.db2.gz NQBPZZAZHZKVMD-NSHDSACASA-N 0 3 246.376 0.800 20 0 BCADHN CS(=O)(=O)NC[C@H]1CCCCN1CC1CC1 ZINC000336702481 386408457 /nfs/dbraw/zinc/40/84/57/386408457.db2.gz NQBPZZAZHZKVMD-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN CN(C)CCNC(=O)/C=C/c1ccn(C)c1 ZINC000277121944 386411009 /nfs/dbraw/zinc/41/10/09/386411009.db2.gz SRFOGPFOVWBHJR-SNAWJCMRSA-N 0 3 221.304 0.716 20 0 BCADHN Cn1cc(NC(=O)CNC[C@H]2CCCO2)cn1 ZINC000237794416 386411364 /nfs/dbraw/zinc/41/13/64/386411364.db2.gz SHGVASLRTXXCFZ-SNVBAGLBSA-N 0 3 238.291 0.127 20 0 BCADHN CCCCCNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336707661 386413068 /nfs/dbraw/zinc/41/30/68/386413068.db2.gz HIWZJPLFCCDQHU-LLVKDONJSA-N 0 3 243.351 0.392 20 0 BCADHN C1=CCN([C@H]2CCN(c3ncccn3)C2)C1 ZINC000266221264 386413053 /nfs/dbraw/zinc/41/30/53/386413053.db2.gz HVLRXZDZXXJZKA-NSHDSACASA-N 0 3 216.288 0.927 20 0 BCADHN C[C@@H]1CO[C@H](CO)CN1C[C@@H]1CCCOC1 ZINC000336708440 386413549 /nfs/dbraw/zinc/41/35/49/386413549.db2.gz UJDBDACQPAZOFB-WOPDTQHZSA-N 0 3 229.320 0.495 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@H](C)Cn1cccn1 ZINC000347462211 386416461 /nfs/dbraw/zinc/41/64/61/386416461.db2.gz XKGSLROUYKIOBV-GHMZBOCLSA-N 0 3 238.335 0.619 20 0 BCADHN CN(CC1=CCCOC1)CC(C)(CO)CO ZINC000093502848 386421118 /nfs/dbraw/zinc/42/11/18/386421118.db2.gz RDWMPMRDEMPVMU-UHFFFAOYSA-N 0 3 229.320 0.256 20 0 BCADHN CCCN(C)CC(=O)N1CCN(C)CC1(C)C ZINC000347496134 386422230 /nfs/dbraw/zinc/42/22/30/386422230.db2.gz YETWRKAPMCKYCP-UHFFFAOYSA-N 0 3 241.379 0.881 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)Nc1cccnc1 ZINC000237910817 386422613 /nfs/dbraw/zinc/42/26/13/386422613.db2.gz PPSARISCFMHNAZ-NSHDSACASA-N 0 3 235.287 0.789 20 0 BCADHN CS(=O)(=O)NC[C@@H]1CCCN(CC2CC2)C1 ZINC000336709970 386423486 /nfs/dbraw/zinc/42/34/86/386423486.db2.gz YMQZCFMXIVPHQU-NSHDSACASA-N 0 3 246.376 0.658 20 0 BCADHN COc1cc(C)c(CNC[C@@H](O)CO)c(C)n1 ZINC000347508876 386427320 /nfs/dbraw/zinc/42/73/20/386427320.db2.gz VBMPEJSSZXCXRW-SNVBAGLBSA-N 0 3 240.303 0.150 20 0 BCADHN COC[C@@H](CCO)NC(=O)[C@@H](C(C)C)N(C)C ZINC000339442195 386427792 /nfs/dbraw/zinc/42/77/92/386427792.db2.gz XCLGXVRXLLKTFC-GHMZBOCLSA-N 0 3 246.351 0.086 20 0 BCADHN Cc1nc(CN[C@H](C)Cn2cccn2)n[nH]1 ZINC000292607715 386428166 /nfs/dbraw/zinc/42/81/66/386428166.db2.gz WQYPXNLHADJKCY-MRVPVSSYSA-N 0 3 220.280 0.488 20 0 BCADHN COC[C@@H](CCO)NC(=O)[C@H](C(C)C)N(C)C ZINC000339442196 386428862 /nfs/dbraw/zinc/42/88/62/386428862.db2.gz XCLGXVRXLLKTFC-MNOVXSKESA-N 0 3 246.351 0.086 20 0 BCADHN COc1ccccc1/C=C\CNC[C@H](O)CO ZINC000347519241 386430636 /nfs/dbraw/zinc/43/06/36/386430636.db2.gz MXCLHLPDUQSWFD-RNZFLTOJSA-N 0 3 237.299 0.651 20 0 BCADHN CCOC(=O)CCN1C[C@@H](O)CC[C@H]1C ZINC000399164968 386431821 /nfs/dbraw/zinc/43/18/21/386431821.db2.gz AXJBQOTYFREACT-ZJUUUORDSA-N 0 3 215.293 0.785 20 0 BCADHN Cc1ccc(C(=O)NCCN(C)C2CC2)c(=O)[nH]1 ZINC000299258647 386432291 /nfs/dbraw/zinc/43/22/91/386432291.db2.gz AMOSVJWXFUHCHW-UHFFFAOYSA-N 0 3 249.314 0.920 20 0 BCADHN CN(CCNC(=O)c1cncn1C)C1CC1 ZINC000290434456 386433779 /nfs/dbraw/zinc/43/37/79/386433779.db2.gz RVZBHRMKBLTQMU-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN CN(CC(=O)N1CCNCC1)CC1CCC1 ZINC000061458122 386466292 /nfs/dbraw/zinc/46/62/92/386466292.db2.gz SOYIBZPBJKTGBA-UHFFFAOYSA-N 0 3 225.336 0.150 20 0 BCADHN CC[C@@H](C)[C@@H](C)NC(=O)NCCNCCOC ZINC000417275686 386468513 /nfs/dbraw/zinc/46/85/13/386468513.db2.gz DCSJBPPRPJUNAX-GHMZBOCLSA-N 0 3 245.367 0.956 20 0 BCADHN COCCNCCNC(=O)NCC(C)(C)C ZINC000417270914 386468534 /nfs/dbraw/zinc/46/85/34/386468534.db2.gz RJXHHICGLADBLN-UHFFFAOYSA-N 0 3 231.340 0.568 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1CCOC1 ZINC000417275120 386468983 /nfs/dbraw/zinc/46/89/83/386468983.db2.gz CNKKJSIHTCMCPR-AXFHLTTASA-N 0 3 241.335 0.415 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Cn1cc(Cl)cn1 ZINC000290719671 386470922 /nfs/dbraw/zinc/47/09/22/386470922.db2.gz XPRYJBNGXZPWMR-QMMMGPOBSA-N 0 3 244.726 0.603 20 0 BCADHN C[C@H](O)CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000277850354 386470834 /nfs/dbraw/zinc/47/08/34/386470834.db2.gz ZJDCNUBWUNPDRL-UWVGGRQHSA-N 0 3 241.335 0.317 20 0 BCADHN CN(C)Cc1cccc(NC(=O)CC(N)=O)c1 ZINC000266854711 386475034 /nfs/dbraw/zinc/47/50/34/386475034.db2.gz SLGMMVMQIFLAID-UHFFFAOYSA-N 0 3 235.287 0.562 20 0 BCADHN CO[C@H](CN)C(=O)NCc1ccc(Cl)cc1 ZINC000227346626 386476508 /nfs/dbraw/zinc/47/65/08/386476508.db2.gz XYYWIPGTVFUXTH-SNVBAGLBSA-N 0 3 242.706 0.930 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)Cc1cccc(F)c1 ZINC000227346720 386476709 /nfs/dbraw/zinc/47/67/09/386476709.db2.gz IZMTVQYQBZOIKA-NSHDSACASA-N 0 3 240.278 0.758 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cc(F)cc(F)c1 ZINC000227345081 386477099 /nfs/dbraw/zinc/47/70/99/386477099.db2.gz MOBWEVUHLIKOPG-SECBINFHSA-N 0 3 230.214 0.877 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]CCCOCCO)n1 ZINC000227335378 386477320 /nfs/dbraw/zinc/47/73/20/386477320.db2.gz ONHINVPGANKPOK-UHFFFAOYSA-N 0 3 240.303 0.584 20 0 BCADHN CC(C)N1CCN(c2cnn(C)c2)CC1 ZINC000266917911 386478492 /nfs/dbraw/zinc/47/84/92/386478492.db2.gz GVWUIFLFAGCFSA-UHFFFAOYSA-N 0 3 208.309 0.951 20 0 BCADHN CCc1cnc(CNC(=O)C2(N)CC2)s1 ZINC000226405932 386478654 /nfs/dbraw/zinc/47/86/54/386478654.db2.gz BZKDIHWCPFIEHE-UHFFFAOYSA-N 0 3 225.317 0.813 20 0 BCADHN CN(C)c1cccc(CNC(=O)C2(N)CCC2)n1 ZINC000519536063 386480859 /nfs/dbraw/zinc/48/08/59/386480859.db2.gz DLZQXROWIFQWBD-UHFFFAOYSA-N 0 3 248.330 0.645 20 0 BCADHN CCCCOCCNC(=O)N1CCCNCC1 ZINC000417313552 386481085 /nfs/dbraw/zinc/48/10/85/386481085.db2.gz WMZSTPJFUIFFPE-UHFFFAOYSA-N 0 3 243.351 0.808 20 0 BCADHN CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000335427979 386481581 /nfs/dbraw/zinc/48/15/81/386481581.db2.gz LPYLUHABIRUAGF-SNVBAGLBSA-N 0 3 241.335 0.511 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cccc(C(C)=O)c1 ZINC000227376908 386481729 /nfs/dbraw/zinc/48/17/29/386481729.db2.gz LCSLAWKQNGKLKT-LLVKDONJSA-N 0 3 236.271 0.801 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1ccc(F)c(F)c1 ZINC000227378317 386481779 /nfs/dbraw/zinc/48/17/79/386481779.db2.gz WSIRSJXBZMVDEA-JTQLQIEISA-N 0 3 244.241 0.555 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cc(C)ccc1O ZINC000227391444 386482006 /nfs/dbraw/zinc/48/20/06/386482006.db2.gz GTRXFRLPVRECFR-JTQLQIEISA-N 0 3 224.260 0.613 20 0 BCADHN CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000335427978 386482225 /nfs/dbraw/zinc/48/22/25/386482225.db2.gz LPYLUHABIRUAGF-JTQLQIEISA-N 0 3 241.335 0.511 20 0 BCADHN CCN(CC)CC(=O)NCCn1cnnc1C ZINC000266942297 386482311 /nfs/dbraw/zinc/48/23/11/386482311.db2.gz PZGPOQLOEYEAID-UHFFFAOYSA-N 0 3 239.323 0.045 20 0 BCADHN CN(C)CCCNc1nccn(C2CC2)c1=O ZINC000061762364 386482514 /nfs/dbraw/zinc/48/25/14/386482514.db2.gz GJOIMJYNDZXCBT-UHFFFAOYSA-N 0 3 236.319 0.942 20 0 BCADHN O=S1(=O)CCC[C@H](N[C@H]2CCSC2)C1 ZINC000068941269 386486122 /nfs/dbraw/zinc/48/61/22/386486122.db2.gz KONAJINUEIBBRL-IUCAKERBSA-N 0 3 235.374 0.659 20 0 BCADHN CCO[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2N)C12CCC2 ZINC000519540161 386486260 /nfs/dbraw/zinc/48/62/60/386486260.db2.gz JWOGNYAPYKFNON-RCWTZXSCSA-N 0 3 238.331 0.798 20 0 BCADHN CC[C@H](N)C(=O)NCCC(=O)N1CCCCC1 ZINC000135190778 386489514 /nfs/dbraw/zinc/48/95/14/386489514.db2.gz CUNFMPXHIPXGLZ-JTQLQIEISA-N 0 3 241.335 0.243 20 0 BCADHN CCN(C)C(=O)CCN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339619548 386491258 /nfs/dbraw/zinc/49/12/58/386491258.db2.gz NFPRJUFQFLEGIA-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN C=Cn1cc(CN[C@@]2(CCO)CCOC2)cn1 ZINC000278108171 386492995 /nfs/dbraw/zinc/49/29/95/386492995.db2.gz BBBWAUOHDUKONP-LBPRGKRZSA-N 0 3 237.303 0.615 20 0 BCADHN O=C(c1c[nH]cn1)N1CCN2CCC[C@@H]2C1 ZINC000263712979 386494134 /nfs/dbraw/zinc/49/41/34/386494134.db2.gz VFOAWKLFRJEAGJ-SECBINFHSA-N 0 3 220.276 0.330 20 0 BCADHN C[C@H]1N(C(=O)C2(N)CC2)CCC12CCOCC2 ZINC000335435403 386494092 /nfs/dbraw/zinc/49/40/92/386494092.db2.gz SKNJXUZLQDWJHN-SNVBAGLBSA-N 0 3 238.331 0.895 20 0 BCADHN C[C@@H](N)C(=O)N(C)[C@H](C)c1cccnc1 ZINC000335435411 386494426 /nfs/dbraw/zinc/49/44/26/386494426.db2.gz SLODCGOBGTTXGQ-RKDXNWHRSA-N 0 3 207.277 0.948 20 0 BCADHN C[C@@H]1CC(C)(C)CN1CCNS(C)(=O)=O ZINC000335438875 386497273 /nfs/dbraw/zinc/49/72/73/386497273.db2.gz YMYZJPYCNQEXTE-SECBINFHSA-N 0 3 234.365 0.656 20 0 BCADHN C[C@H]1CC(C)(C)CN1CCNS(C)(=O)=O ZINC000335438876 386497746 /nfs/dbraw/zinc/49/77/46/386497746.db2.gz YMYZJPYCNQEXTE-VIFPVBQESA-N 0 3 234.365 0.656 20 0 BCADHN CCN(CCN1CCCC1=O)[C@@H](C)CO ZINC000339631275 386500547 /nfs/dbraw/zinc/50/05/47/386500547.db2.gz UITZMSOIJJPQJC-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN CCN(CC1CCS(=O)(=O)CC1)[C@H](C)CO ZINC000339635355 386502157 /nfs/dbraw/zinc/50/21/57/386502157.db2.gz WDJQAKIHDZRLNP-SNVBAGLBSA-N 0 3 249.376 0.514 20 0 BCADHN Cc1nc(CNC(=O)[C@]2(C)CCCCN2)no1 ZINC000227695385 386502389 /nfs/dbraw/zinc/50/23/89/386502389.db2.gz IWVRBASGLJDIPC-NSHDSACASA-N 0 3 238.291 0.526 20 0 BCADHN Cn1cc([C@H](O)CNC[C@H]2CCC=CO2)cn1 ZINC000278295082 386508019 /nfs/dbraw/zinc/50/80/19/386508019.db2.gz BZQFIWLOKRHWNC-VXGBXAGGSA-N 0 3 237.303 0.736 20 0 BCADHN O=C(NCc1cc[nH]n1)[C@H]1CNCCC1(F)F ZINC000647994101 386511856 /nfs/dbraw/zinc/51/18/56/386511856.db2.gz NNTJEAORDREFRD-MRVPVSSYSA-N 0 3 244.245 0.271 20 0 BCADHN Cc1ncc(CN[C@H]2CO[C@@H](C)C2)n1C ZINC000519639769 386513723 /nfs/dbraw/zinc/51/37/23/386513723.db2.gz BGKXGHZIFMRTOL-WCBMZHEXSA-N 0 3 209.293 0.996 20 0 BCADHN Cc1ncc(CN[C@H]2CO[C@H](C)C2)n1C ZINC000519639741 386514263 /nfs/dbraw/zinc/51/42/63/386514263.db2.gz BGKXGHZIFMRTOL-PSASIEDQSA-N 0 3 209.293 0.996 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H](CO)c1ccc(F)cc1 ZINC000267232534 386514579 /nfs/dbraw/zinc/51/45/79/386514579.db2.gz LJJDFRDNSIKTQW-KCJUWKMLSA-N 0 3 240.278 0.713 20 0 BCADHN C[C@H](CC(N)=O)N[C@H](CO)c1ccc(F)cc1 ZINC000267232541 386514956 /nfs/dbraw/zinc/51/49/56/386514956.db2.gz LJJDFRDNSIKTQW-LDYMZIIASA-N 0 3 240.278 0.713 20 0 BCADHN NCCn1c(=O)onc1-c1cccs1 ZINC000335447138 386515831 /nfs/dbraw/zinc/51/58/31/386515831.db2.gz MIFXOXGRTDUYBC-UHFFFAOYSA-N 0 3 211.246 0.524 20 0 BCADHN Cc1n[nH]cc1CN[C@H]1C[C@@H](O)C1(C)C ZINC000163343793 386516013 /nfs/dbraw/zinc/51/60/13/386516013.db2.gz ODLWMTPWJZVHJD-VHSXEESVSA-N 0 3 209.293 0.967 20 0 BCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)C ZINC000343233193 386517172 /nfs/dbraw/zinc/51/71/72/386517172.db2.gz IXCQMNPPGHAUIY-SECBINFHSA-N 0 3 237.303 0.065 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000353223949 386517428 /nfs/dbraw/zinc/51/74/28/386517428.db2.gz AFBZOKWFBFHTNQ-WPRPVWTQSA-N 0 3 238.335 0.971 20 0 BCADHN CCCN(CC(=O)NC)C[C@H](C)COC ZINC000189784959 386530231 /nfs/dbraw/zinc/53/02/31/386530231.db2.gz IDPAUTRNHAMUAK-JTQLQIEISA-N 0 3 216.325 0.727 20 0 BCADHN C[C@@H](CC(N)=O)NCCNC(=O)c1ccccc1 ZINC000267256587 386518774 /nfs/dbraw/zinc/51/87/74/386518774.db2.gz PHLDEJHBICOUAS-JTQLQIEISA-N 0 3 249.314 0.270 20 0 BCADHN O=C(CN[C@H]1CCCSC1)NC1CC1 ZINC000061573249 386519740 /nfs/dbraw/zinc/51/97/40/386519740.db2.gz RGISIHUBIUHTCT-VIFPVBQESA-N 0 3 214.334 0.750 20 0 BCADHN CN(C)CCO[C@@H]1CCN(c2ncccn2)C1 ZINC000339681897 386521071 /nfs/dbraw/zinc/52/10/71/386521071.db2.gz HJRDOVPABMQKPJ-LLVKDONJSA-N 0 3 236.319 0.634 20 0 BCADHN COC(C)(C)[C@@H](C)NCC1(S(C)(=O)=O)CC1 ZINC000336754754 386523354 /nfs/dbraw/zinc/52/33/54/386523354.db2.gz FYYIMTARAHYHGD-SECBINFHSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H](O)CN(C)[C@H]1Cc2ccccc2[C@H]1O ZINC000291225370 386525017 /nfs/dbraw/zinc/52/50/17/386525017.db2.gz LUXAXIJXBLNTRK-JIMOISOXSA-N 0 3 221.300 0.957 20 0 BCADHN O=C(COC1CNC1)Nc1ccccc1F ZINC000062809847 386526414 /nfs/dbraw/zinc/52/64/14/386526414.db2.gz RBAVALQVGNHFRO-UHFFFAOYSA-N 0 3 224.235 0.753 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)Nc2cccn(C)c2=O)C1 ZINC000335452763 386527227 /nfs/dbraw/zinc/52/72/27/386527227.db2.gz SOENCWZRGFHUHM-MWLCHTKSSA-N 0 3 249.314 0.712 20 0 BCADHN COC[C@H](C)N[C@H]1CCS(=O)(=O)[C@@H]1C ZINC000308501342 386527751 /nfs/dbraw/zinc/52/77/51/386527751.db2.gz GTMHFYDECPTHJG-YIZRAAEISA-N 0 3 221.322 0.187 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)N[C@H]1CNCCC1(F)F ZINC000417140287 386455616 /nfs/dbraw/zinc/45/56/16/386455616.db2.gz QGJMCXCRUVLGBR-HLTSFMKQSA-N 0 3 247.289 0.939 20 0 BCADHN CC[C@H](COC)NC(=O)[C@H](N)C1CCC1 ZINC000399211368 386456173 /nfs/dbraw/zinc/45/61/73/386456173.db2.gz XVSDEFKUNOSUFJ-NXEZZACHSA-N 0 3 214.309 0.655 20 0 BCADHN Cc1occc1CNC[C@]1(O)CCN(C)C1 ZINC000414436996 386457722 /nfs/dbraw/zinc/45/77/22/386457722.db2.gz TVVPUQCKTWIMNH-GFCCVEGCSA-N 0 3 224.304 0.744 20 0 BCADHN CC[C@H](CO)NC(=O)[C@H](CC)N(CC)CC ZINC000343223835 386458310 /nfs/dbraw/zinc/45/83/10/386458310.db2.gz JTHDTBNSSVUNDK-MNOVXSKESA-N 0 3 230.352 0.994 20 0 BCADHN CCC[C@@H](CN1CCN(CCO)C[C@H]1C)OC ZINC000639245182 386460066 /nfs/dbraw/zinc/46/00/66/386460066.db2.gz VLQAJZYLPMGKBQ-OLZOCXBDSA-N 0 3 244.379 0.800 20 0 BCADHN CC(C(=O)NC[C@@H]1CCC[C@H]1C)S(C)(=O)=O ZINC000339512969 386460595 /nfs/dbraw/zinc/46/05/95/386460595.db2.gz NXQHXISYMHFLSF-UTLUCORTSA-N 0 3 247.360 0.972 20 0 BCADHN CC(C)N(C)CC(=O)NCCc1cn[nH]c1 ZINC000290645915 386465357 /nfs/dbraw/zinc/46/53/57/386465357.db2.gz WFKXPIJYZVXWQW-UHFFFAOYSA-N 0 3 224.308 0.409 20 0 BCADHN CCOC(C)(C)CNC(=O)NCCN(C)C ZINC000187688863 386577071 /nfs/dbraw/zinc/57/70/71/386577071.db2.gz YSLSRQDJSAEOTA-UHFFFAOYSA-N 0 3 231.340 0.662 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000365651398 386583320 /nfs/dbraw/zinc/58/33/20/386583320.db2.gz DMMKVXSMXAWPOG-GHMZBOCLSA-N 0 3 234.303 0.286 20 0 BCADHN CC(C)(C)[C@@H](CO)NCc1cc(=O)c(O)co1 ZINC000278792097 386584173 /nfs/dbraw/zinc/58/41/73/386584173.db2.gz OEUYPQKLZWANLY-LLVKDONJSA-N 0 3 241.287 0.842 20 0 BCADHN C[C@H](C(N)=O)N(C)CCCn1ccnc1 ZINC000124244611 386586343 /nfs/dbraw/zinc/58/63/43/386586343.db2.gz ULNUOPZUZFPPSI-SECBINFHSA-N 0 3 210.281 0.079 20 0 BCADHN C[C@@H](C(N)=O)N(C)CCCn1ccnc1 ZINC000124244430 386586459 /nfs/dbraw/zinc/58/64/59/386586459.db2.gz ULNUOPZUZFPPSI-VIFPVBQESA-N 0 3 210.281 0.079 20 0 BCADHN C[C@H](CNC(=O)c1cscn1)N(C)C ZINC000062662899 386589664 /nfs/dbraw/zinc/58/96/64/386589664.db2.gz BOFPWWWLUPYKHO-SSDOTTSWSA-N 0 3 213.306 0.823 20 0 BCADHN CCc1ccc(CCN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000278821332 386590565 /nfs/dbraw/zinc/59/05/65/386590565.db2.gz PQMBXFZITQOUNW-OKILXGFUSA-N 0 3 235.327 0.829 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H]2CCCO2)[C@@H](C)CN1 ZINC000062570548 386592198 /nfs/dbraw/zinc/59/21/98/386592198.db2.gz YADYLRYPZVVJPG-UTLUCORTSA-N 0 3 212.293 0.374 20 0 BCADHN CC(C)[C@H](C)CNC(=O)NC[C@@H]1CNCCO1 ZINC000417723184 386598951 /nfs/dbraw/zinc/59/89/51/386598951.db2.gz WIVASLOYLINMGB-MNOVXSKESA-N 0 3 243.351 0.566 20 0 BCADHN CC[C@@H](C)N1CCN([C@@H](C)C(N)=O)CC1 ZINC000061679509 386531015 /nfs/dbraw/zinc/53/10/15/386531015.db2.gz NGNSGELRJZTINS-ZJUUUORDSA-N 0 3 213.325 0.276 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NOC/C=C/Cl ZINC000291293054 386531763 /nfs/dbraw/zinc/53/17/63/386531763.db2.gz PKQLUJIQLLRPKS-ZJELKQJVSA-N 0 3 235.715 0.920 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000332036901 386534172 /nfs/dbraw/zinc/53/41/72/386534172.db2.gz KTCLRJZPABTXGW-IVZWLZJFSA-N 0 3 243.351 0.395 20 0 BCADHN CCN(C)C(=O)CN1CCCC[C@H]1C1(O)CC1 ZINC000519689625 386534448 /nfs/dbraw/zinc/53/44/48/386534448.db2.gz LXVIBASILFCNKG-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@@H]2CSCN2)C1 ZINC000519699402 386537345 /nfs/dbraw/zinc/53/73/45/386537345.db2.gz FKPHXZUGPINQTA-UWVGGRQHSA-N 0 3 243.376 0.107 20 0 BCADHN C[C@H](CCN(C)C)NC(=O)c1ccc(C=O)[nH]1 ZINC000267404385 386537983 /nfs/dbraw/zinc/53/79/83/386537983.db2.gz PCROOIXQKFDUAP-SECBINFHSA-N 0 3 237.303 0.897 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000637898961 386539441 /nfs/dbraw/zinc/53/94/41/386539441.db2.gz HMWAPPNOXQLOIW-GXSJLCMTSA-N 0 3 249.314 0.327 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000637898963 386539592 /nfs/dbraw/zinc/53/95/92/386539592.db2.gz HMWAPPNOXQLOIW-MWLCHTKSSA-N 0 3 249.314 0.327 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H]1CC12CCSCC2 ZINC000335462695 386546125 /nfs/dbraw/zinc/54/61/25/386546125.db2.gz SYZGEAGICZOQLI-RKDXNWHRSA-N 0 3 228.361 0.983 20 0 BCADHN CNC(=O)CCN1C[C@@H](C)OC2(CCC2)C1 ZINC000335462177 386546269 /nfs/dbraw/zinc/54/62/69/386546269.db2.gz LIRRWZGVKVYSDE-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN CNC(=O)CCN1C[C@H](C)OC2(CCC2)C1 ZINC000335462175 386546468 /nfs/dbraw/zinc/54/64/68/386546468.db2.gz LIRRWZGVKVYSDE-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN Cc1cc(C(=O)N2CCC[C@@H]2CN(C)C)[nH]n1 ZINC000267515113 386547404 /nfs/dbraw/zinc/54/74/04/386547404.db2.gz KEFPXRFRJRMHOA-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN Cc1cc(C(=O)N2CCC[C@@H]2CN(C)C)n[nH]1 ZINC000267515113 386547413 /nfs/dbraw/zinc/54/74/13/386547413.db2.gz KEFPXRFRJRMHOA-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)NC2CCN(C)CC2)CO1 ZINC000335463480 386547282 /nfs/dbraw/zinc/54/72/82/386547282.db2.gz VBTFXVBGHXQCED-GXSJLCMTSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H]1C[C@H](CNC2(C(N)=O)CC2)CCO1 ZINC000336755927 386547840 /nfs/dbraw/zinc/54/78/40/386547840.db2.gz JBLHQGGZJVEVBJ-RKDXNWHRSA-N 0 3 212.293 0.409 20 0 BCADHN N[C@@H](C(=O)N[C@@H]1CCc2n[nH]cc2C1)C1CCC1 ZINC000519776880 386554826 /nfs/dbraw/zinc/55/48/26/386554826.db2.gz WJLINWGBRIDHLA-ZYHUDNBSSA-N 0 3 248.330 0.511 20 0 BCADHN Cc1cnc(C(=O)NC[C@@](C)(O)CN(C)C)o1 ZINC000291886128 386597427 /nfs/dbraw/zinc/59/74/27/386597427.db2.gz XXNJUTOPWOWXBD-LLVKDONJSA-N 0 3 241.291 0.025 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC000278628084 386557576 /nfs/dbraw/zinc/55/75/76/386557576.db2.gz MYZGVQRXSYLKHV-ZETCQYMHSA-N 0 3 239.275 0.328 20 0 BCADHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000335405023 386560371 /nfs/dbraw/zinc/56/03/71/386560371.db2.gz BHGHHPHINUAOLR-BQBZGAKWSA-N 0 3 218.278 0.294 20 0 BCADHN COC[C@@H](O)CN1CC[C@@H](n2cccn2)C1 ZINC000291633964 386561251 /nfs/dbraw/zinc/56/12/51/386561251.db2.gz DJGUXDWORCRWGU-MNOVXSKESA-N 0 3 225.292 0.137 20 0 BCADHN COc1ccc([O-])c(C(=O)N(C)[C@@H](C)C[NH3+])c1 ZINC000123731674 386562608 /nfs/dbraw/zinc/56/26/08/386562608.db2.gz XJSAHKFVJVVCOY-QMMMGPOBSA-N 0 3 238.287 0.820 20 0 BCADHN CC(C)(O)CN1CCO[C@@]2(CCSC2)C1 ZINC000335407265 386567067 /nfs/dbraw/zinc/56/70/67/386567067.db2.gz ITJWCBTUGNLWHL-NSHDSACASA-N 0 3 231.361 0.965 20 0 BCADHN C[C@H](O)CCCNCc1cnc2cnccn12 ZINC000278680833 386567808 /nfs/dbraw/zinc/56/78/08/386567808.db2.gz PAKVIJWSBSNJPR-JTQLQIEISA-N 0 3 234.303 0.980 20 0 BCADHN CCN1C[C@@H](C)N(Cc2nnn(C)n2)C[C@@H]1C ZINC000408421906 386568999 /nfs/dbraw/zinc/56/89/99/386568999.db2.gz CINLQUMLXMCBRS-VHSXEESVSA-N 0 3 238.339 0.125 20 0 BCADHN C[C@H]1CC[C@@](CO)(N(C)CC(=O)N2CCC2)C1 ZINC000425914753 386573381 /nfs/dbraw/zinc/57/33/81/386573381.db2.gz GAJYFCZGWWSYBI-WCQYABFASA-N 0 3 240.347 0.702 20 0 BCADHN Cc1cc(N)cc(CNC(=O)[C@@H](C)N)c1 ZINC000335497152 386620460 /nfs/dbraw/zinc/62/04/60/386620460.db2.gz WJFOQVXJYFTIKJ-MRVPVSSYSA-N 0 3 207.277 0.541 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1nccnc1N ZINC000268134893 386621198 /nfs/dbraw/zinc/62/11/98/386621198.db2.gz MTROLFDJRKHIEM-VIFPVBQESA-N 0 3 249.318 0.225 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CCOC1)N(C)C ZINC000179228799 386621464 /nfs/dbraw/zinc/62/14/64/386621464.db2.gz KEMINHLCLOEIQF-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@H](O)CCN(C)C(=O)/C=C/CN(C)C ZINC000268123549 386623718 /nfs/dbraw/zinc/62/37/18/386623718.db2.gz RJIWXJKDUKRICC-PORFMDCZSA-N 0 3 214.309 0.334 20 0 BCADHN C[C@@H](O)CCN1CC[C@H](c2nnc[nH]2)C1 ZINC000425553851 386628549 /nfs/dbraw/zinc/62/85/49/386628549.db2.gz VBXWVYQJSJZKJH-BDAKNGLRSA-N 0 3 210.281 0.365 20 0 BCADHN CSC[C@@H](O)C[N@@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000425553415 386628661 /nfs/dbraw/zinc/62/86/61/386628661.db2.gz UKNJUDGZAVYOMC-BDAKNGLRSA-N 0 3 242.348 0.318 20 0 BCADHN CSC[C@@H](O)C[N@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000425553415 386628666 /nfs/dbraw/zinc/62/86/66/386628666.db2.gz UKNJUDGZAVYOMC-BDAKNGLRSA-N 0 3 242.348 0.318 20 0 BCADHN CC(C)N(C)C(=O)C1CCN(C[C@@H](C)O)CC1 ZINC000337147803 386630300 /nfs/dbraw/zinc/63/03/00/386630300.db2.gz ZJRBOVBAWFMAJS-LLVKDONJSA-N 0 3 242.363 0.946 20 0 BCADHN Cc1ncc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)[nH]1 ZINC000268236217 386633465 /nfs/dbraw/zinc/63/34/65/386633465.db2.gz UABAHURJCPSBHJ-PRHODGIISA-N 0 3 248.330 0.931 20 0 BCADHN CCN(C)C(=O)CN1CC[C@](O)(CC)C1 ZINC000425920150 386636025 /nfs/dbraw/zinc/63/60/25/386636025.db2.gz PGTFOLFPXKMHBX-LLVKDONJSA-N 0 3 214.309 0.312 20 0 BCADHN C[C@@H](O)CN1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000337196137 386646659 /nfs/dbraw/zinc/64/66/59/386646659.db2.gz WDYKYRJSJBSQLR-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN CNC(=O)CCCN(CCOC)CCOC ZINC000520326999 386647989 /nfs/dbraw/zinc/64/79/89/386647989.db2.gz BJTGJVSWKSVJMP-UHFFFAOYSA-N 0 3 232.324 0.107 20 0 BCADHN C[C@@H](CO)[C@@H](C)NC(=O)C1CCN(C)CC1 ZINC000339807237 386649127 /nfs/dbraw/zinc/64/91/27/386649127.db2.gz DJRYQQHZTVXOAE-VHSXEESVSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@@H](O)CCN1CCN(CC[C@@H](C)O)CC1 ZINC000168158618 386649827 /nfs/dbraw/zinc/64/98/27/386649827.db2.gz ZQLDJZCWIVYEQW-VXGBXAGGSA-N 0 3 230.352 0.146 20 0 BCADHN Cc1nc(C(=O)NCCN(C)C)c(C)o1 ZINC000292325338 386649994 /nfs/dbraw/zinc/64/99/94/386649994.db2.gz MTDPSWONZSARPN-UHFFFAOYSA-N 0 3 211.265 0.583 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)NCCCCO)CCN1C ZINC000426082631 386653232 /nfs/dbraw/zinc/65/32/32/386653232.db2.gz ZTCLYFLYLPHFOG-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN COCc1nc(SCCN(C)C)n[nH]1 ZINC000268473155 386654514 /nfs/dbraw/zinc/65/45/14/386654514.db2.gz IUWVBAHLHXZEEH-UHFFFAOYSA-N 0 3 216.310 0.605 20 0 BCADHN COC(CN1CC[C@@H](n2cccn2)C1)OC ZINC000291946359 386601607 /nfs/dbraw/zinc/60/16/07/386601607.db2.gz UIHWHRNBEMBNSE-SNVBAGLBSA-N 0 3 225.292 0.749 20 0 BCADHN CN(C)CCNC(=O)c1ccnn1CC(F)F ZINC000278906507 386603204 /nfs/dbraw/zinc/60/32/04/386603204.db2.gz GFCXQAAXMAVEHW-UHFFFAOYSA-N 0 3 246.261 0.440 20 0 BCADHN Cn1cccc1CN1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000365656012 386610780 /nfs/dbraw/zinc/61/07/80/386610780.db2.gz JGTNQNNVPKBKGF-JQWIXIFHSA-N 0 3 233.315 0.593 20 0 BCADHN CO[C@H](CN1CCCN(C(N)=O)CC1)C1CC1 ZINC000644921208 386612731 /nfs/dbraw/zinc/61/27/31/386612731.db2.gz KHCNANGJSHDIQQ-LLVKDONJSA-N 0 3 241.335 0.498 20 0 BCADHN C[C@H](O)CCN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000644921308 386612788 /nfs/dbraw/zinc/61/27/88/386612788.db2.gz CYHRSTORSDMTQU-RWMBFGLXSA-N 0 3 242.363 0.288 20 0 BCADHN O=C(COC1CNC1)NC1CCCCC1 ZINC000062809834 386614723 /nfs/dbraw/zinc/61/47/23/386614723.db2.gz OBNWBXUEWTZJBN-UHFFFAOYSA-N 0 3 212.293 0.424 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)c1cnsn1 ZINC000268077530 386616944 /nfs/dbraw/zinc/61/69/44/386616944.db2.gz CDFDEMATDDQAGY-MRVPVSSYSA-N 0 3 240.332 0.704 20 0 BCADHN C[C@H]1[C@@H](N[C@@H]2CCCOC2)CCS1(=O)=O ZINC000329152711 386617685 /nfs/dbraw/zinc/61/76/85/386617685.db2.gz BJTISCIQHVZQCP-AEJSXWLSSA-N 0 3 233.333 0.331 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328768931 386618185 /nfs/dbraw/zinc/61/81/85/386618185.db2.gz BZCBHLSIQINDDF-NXEZZACHSA-N 0 3 239.319 0.658 20 0 BCADHN CO[C@H](CN1CCNC(=O)C[C@H]1C)C1CC1 ZINC000644927869 386618303 /nfs/dbraw/zinc/61/83/03/386618303.db2.gz OIWYDXYKVSUDLF-MWLCHTKSSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1nccc(CN2CC[C@@H](CO)[C@H]2C)n1 ZINC000353229834 386655435 /nfs/dbraw/zinc/65/54/35/386655435.db2.gz FWAXAXFXYUXTDE-KOLCDFICSA-N 0 3 221.304 0.988 20 0 BCADHN CO[C@@H](CN1CCNC(=O)C[C@@H]1C)C1CC1 ZINC000644927870 386618376 /nfs/dbraw/zinc/61/83/76/386618376.db2.gz OIWYDXYKVSUDLF-ONGXEEELSA-N 0 3 226.320 0.622 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC12CCSCC2 ZINC000520394924 386661232 /nfs/dbraw/zinc/66/12/32/386661232.db2.gz CATDQJXUQZIXIN-LPEHRKFASA-N 0 3 240.372 0.983 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)Nc1nnc2ccccn21 ZINC000645432203 386667292 /nfs/dbraw/zinc/66/72/92/386667292.db2.gz ULPWGVCSFQKJNU-SECBINFHSA-N 0 3 245.286 0.666 20 0 BCADHN Cc1ncc(CNCCc2cn[nH]c2)cn1 ZINC000336738992 386668004 /nfs/dbraw/zinc/66/80/04/386668004.db2.gz OQUSVFLJSSIDMC-UHFFFAOYSA-N 0 3 217.276 0.840 20 0 BCADHN NCC(=O)N1CCc2c(F)cccc2C1 ZINC000335525479 386669092 /nfs/dbraw/zinc/66/90/92/386669092.db2.gz UWXDNYDRZUESHI-UHFFFAOYSA-N 0 3 208.236 0.669 20 0 BCADHN CC[C@@H](COC)N[C@@H](CCSC)C(=O)NC ZINC000336739007 386669542 /nfs/dbraw/zinc/66/95/42/386669542.db2.gz ORDJFIAANCIEGP-UWVGGRQHSA-N 0 3 248.392 0.869 20 0 BCADHN NCC(=O)N1CCCc2ccccc2C1 ZINC000062945930 386670227 /nfs/dbraw/zinc/67/02/27/386670227.db2.gz TWVZDGVEBRTKER-UHFFFAOYSA-N 0 3 204.273 0.920 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@@H](C)O)C[C@H]1C ZINC000337209389 386671005 /nfs/dbraw/zinc/67/10/05/386671005.db2.gz SBIVVYNLSUWUAQ-OPRDCNLKSA-N 0 3 215.293 0.498 20 0 BCADHN CC1(C)CN(C(=O)Cc2cncs2)CCN1 ZINC000335526155 386671073 /nfs/dbraw/zinc/67/10/73/386671073.db2.gz WTCLUYKQQOSBHY-UHFFFAOYSA-N 0 3 239.344 0.896 20 0 BCADHN C[C@H](O)CN1C[C@H](C)OC2(CCOCC2)C1 ZINC000337242417 386672518 /nfs/dbraw/zinc/67/25/18/386672518.db2.gz NNPUXFJWPVGGSS-QWRGUYRKSA-N 0 3 229.320 0.637 20 0 BCADHN CC[C@@H](C)N1CCN(C[C@H]2COCCO2)CC1 ZINC000337242875 386672788 /nfs/dbraw/zinc/67/27/88/386672788.db2.gz GTWUPUGADIMDIH-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN CN(CCn1cncn1)C[C@@H]1CCC[C@H]1O ZINC000330363508 386674862 /nfs/dbraw/zinc/67/48/62/386674862.db2.gz INEYKHLETSRZLF-WDEREUQCSA-N 0 3 224.308 0.371 20 0 BCADHN O=C1C[C@@]2(CCN(Cc3cncs3)C2)CN1 ZINC000279384539 386675073 /nfs/dbraw/zinc/67/50/73/386675073.db2.gz JNSJDTNWGVYIRN-NSHDSACASA-N 0 3 237.328 0.855 20 0 BCADHN CN1CCC(CNC(=O)[C@@H]2CCC(=O)C2)CC1 ZINC000335528901 386675471 /nfs/dbraw/zinc/67/54/71/386675471.db2.gz NLIPPDGDYCBRJY-LLVKDONJSA-N 0 3 238.331 0.814 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)/C=C/CN(C)C ZINC000268639868 386675635 /nfs/dbraw/zinc/67/56/35/386675635.db2.gz UGAUULAHALOSJC-AFPRHGJPSA-N 0 3 228.336 0.627 20 0 BCADHN CN1CCO[C@H]2CN(CCC3CC3)C[C@H]21 ZINC000335529153 386675903 /nfs/dbraw/zinc/67/59/03/386675903.db2.gz GPVWBICKLVOYCF-NEPJUHHUSA-N 0 3 210.321 0.801 20 0 BCADHN CCN(C)CCNC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000120726651 386676015 /nfs/dbraw/zinc/67/60/15/386676015.db2.gz MQAREYBZAHXQAV-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@H](NCc1cnnn1C)[C@H]1CCCO1 ZINC000129709992 386676215 /nfs/dbraw/zinc/67/62/15/386676215.db2.gz FYIFMQQPCODXOK-PSASIEDQSA-N 0 3 210.281 0.472 20 0 BCADHN CO[C@@H]1COC[C@H]1NCc1ccc(O)cc1 ZINC000648062768 386709732 /nfs/dbraw/zinc/70/97/32/386709732.db2.gz RQACFEXDTFXTGV-VXGBXAGGSA-N 0 3 223.272 0.896 20 0 BCADHN CC[C@@H](C(=O)NCc1cnn(CC)c1)N(C)C ZINC000268871941 386710284 /nfs/dbraw/zinc/71/02/84/386710284.db2.gz UMZYKJHZFAPMJP-NSHDSACASA-N 0 3 238.335 0.859 20 0 BCADHN COCCOCCNC(=O)[C@@H](N)CCC(C)C ZINC000637936651 386683277 /nfs/dbraw/zinc/68/32/77/386683277.db2.gz YGNPGSGVCYXATM-NSHDSACASA-N 0 3 246.351 0.529 20 0 BCADHN Cc1ccc([O-])c(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000050228644 386686894 /nfs/dbraw/zinc/68/68/94/386686894.db2.gz NBVGXCSETUAERX-VIFPVBQESA-N 0 3 220.272 0.874 20 0 BCADHN C[C@H]1[C@H](C)N(CCCCO)CCN1C ZINC000357077372 386711667 /nfs/dbraw/zinc/71/16/67/386711667.db2.gz XWJQXHNTVSILLW-QWRGUYRKSA-N 0 3 200.326 0.783 20 0 BCADHN Cn1cnc(=O)n1CCN1CCCCC1 ZINC000520499002 386687811 /nfs/dbraw/zinc/68/78/11/386687811.db2.gz KXMXKXUTJCMEHO-UHFFFAOYSA-N 0 3 210.281 0.068 20 0 BCADHN CCN(C)C(=O)CCN1CCN(C)[C@@H](C)[C@H]1C ZINC000357008894 386689912 /nfs/dbraw/zinc/68/99/12/386689912.db2.gz VGUHGZPWYPUHDD-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)Cn1ccnc1)N(C)C ZINC000268744561 386690543 /nfs/dbraw/zinc/69/05/43/386690543.db2.gz DWZLWFUHIGBGAR-MNOVXSKESA-N 0 3 238.335 0.728 20 0 BCADHN CCOC[C@H](O)CN1CCN(C)[C@H](C)[C@@H]1C ZINC000357024559 386691971 /nfs/dbraw/zinc/69/19/71/386691971.db2.gz NNSRSGMJRCWBRQ-GRYCIOLGSA-N 0 3 230.352 0.408 20 0 BCADHN O=C1NC[C@@H]2[C@@H]1CCCN2CC[C@H]1CCCO1 ZINC000337262038 386694473 /nfs/dbraw/zinc/69/44/73/386694473.db2.gz YJHRCRLSQZKFBG-GRYCIOLGSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)C1)CN(C)C ZINC000520586546 386697915 /nfs/dbraw/zinc/69/79/15/386697915.db2.gz CADLSPPMVCSBLC-UWVGGRQHSA-N 0 3 226.320 0.670 20 0 BCADHN CCC[C@H](O)CN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000450782149 386698407 /nfs/dbraw/zinc/69/84/07/386698407.db2.gz WJADTWFUMNRZPL-VWYCJHECSA-N 0 3 228.336 0.733 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)C1)CN(C)C ZINC000520586545 386699055 /nfs/dbraw/zinc/69/90/55/386699055.db2.gz CADLSPPMVCSBLC-NXEZZACHSA-N 0 3 226.320 0.670 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)CN(C)C)C1 ZINC000526944176 386700042 /nfs/dbraw/zinc/70/00/42/386700042.db2.gz ZPHVFTWVANQRHP-SNVBAGLBSA-N 0 3 213.325 0.006 20 0 BCADHN C[C@@H]1NCCN(C(=O)N[C@@H]2CCSC2)[C@H]1C ZINC000417771160 386701866 /nfs/dbraw/zinc/70/18/66/386701866.db2.gz HFVPBFUESCANFK-LPEHRKFASA-N 0 3 243.376 0.884 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@H]1CCCC[C@@H]1O ZINC000647958445 386705828 /nfs/dbraw/zinc/70/58/28/386705828.db2.gz XTIBKJXAWLTJHJ-NEPJUHHUSA-N 0 3 242.363 0.981 20 0 BCADHN C[C@@H]1CN(C(=O)N[C@H]2CCSC2)[C@H](C)CN1 ZINC000417773914 386706499 /nfs/dbraw/zinc/70/64/99/386706499.db2.gz MCIZMKRBDJGTSG-BBBLOLIVSA-N 0 3 243.376 0.884 20 0 BCADHN Cc1c(CN(C)CC(C)(C)O)cnn1C ZINC000268988034 386731448 /nfs/dbraw/zinc/73/14/48/386731448.db2.gz GFSQNTXYCMYUTD-UHFFFAOYSA-N 0 3 211.309 0.931 20 0 BCADHN Cc1cnn(C)c1CNC[C@H]1CC[C@@H](CO)O1 ZINC000292828720 386731910 /nfs/dbraw/zinc/73/19/10/386731910.db2.gz XOXYWHKOPOUCIU-MNOVXSKESA-N 0 3 239.319 0.358 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCCCc1cnn(C)c1 ZINC000269053835 386740592 /nfs/dbraw/zinc/74/05/92/386740592.db2.gz NYWISQWAEKPHSS-LLVKDONJSA-N 0 3 238.335 0.452 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCOC2(CCCC2)C1 ZINC000335534080 386733687 /nfs/dbraw/zinc/73/36/87/386733687.db2.gz SLTQBROFRYXDPQ-VHSXEESVSA-N 0 3 224.304 0.505 20 0 BCADHN CN(C)CC[C@@](C)(O)CNC(=O)[C@H]1CC1(C)C ZINC000357200842 386736354 /nfs/dbraw/zinc/73/63/54/386736354.db2.gz ITAIRXPTSPLOJW-ZWNOBZJWSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@H](O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000527037590 386737865 /nfs/dbraw/zinc/73/78/65/386737865.db2.gz MJIOYGBHLPTGFW-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CCN(CCCO)Cc1cnn(C)c1C ZINC000269032512 386738827 /nfs/dbraw/zinc/73/88/27/386738827.db2.gz SIBRAAQQUVDRJJ-UHFFFAOYSA-N 0 3 211.309 0.933 20 0 BCADHN COC[C@H](O)CN[C@@H]1CCCc2nn(C)cc21 ZINC000330438510 386739450 /nfs/dbraw/zinc/73/94/50/386739450.db2.gz SHZLOMYIFQUIMV-MWLCHTKSSA-N 0 3 239.319 0.394 20 0 BCADHN CC[C@@H](C(=O)NCc1nc(C)no1)N(C)C ZINC000330451451 386715828 /nfs/dbraw/zinc/71/58/28/386715828.db2.gz YVEHREMBTCJABP-QMMMGPOBSA-N 0 3 226.280 0.334 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCCNc1ccccn1 ZINC000645331323 386718341 /nfs/dbraw/zinc/71/83/41/386718341.db2.gz IMCKVNBOGRRSOD-NSHDSACASA-N 0 3 248.330 0.608 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@@H](C)C(=O)NCCF ZINC000336760700 386720475 /nfs/dbraw/zinc/72/04/75/386720475.db2.gz MAAIUGPARAZXTQ-HRDYMLBCSA-N 0 3 220.288 0.474 20 0 BCADHN CCC[C@H](NC(C)C)C(=O)N(CC)CC(N)=O ZINC000357120765 386720658 /nfs/dbraw/zinc/72/06/58/386720658.db2.gz LSGNLVIWNQKJQX-JTQLQIEISA-N 0 3 243.351 0.487 20 0 BCADHN CCN(C)CCNC(=O)c1cnc2n[nH]nc2c1 ZINC000357116596 386720894 /nfs/dbraw/zinc/72/08/94/386720894.db2.gz LLLBDGWODWUUCF-UHFFFAOYSA-N 0 3 248.290 0.034 20 0 BCADHN CN(CCc1cn[nH]n1)C[C@@H]1CCCO1 ZINC000647959866 386721177 /nfs/dbraw/zinc/72/11/77/386721177.db2.gz RCGOJOSYLPWQJC-JTQLQIEISA-N 0 3 210.281 0.458 20 0 BCADHN Cc1c(CN2CCC[C@H]2CO)cnn1C ZINC000268928576 386721368 /nfs/dbraw/zinc/72/13/68/386721368.db2.gz XMHFRXYEFBTYJP-NSHDSACASA-N 0 3 209.293 0.685 20 0 BCADHN C[C@H](CO)[C@H](C)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000330472645 386729096 /nfs/dbraw/zinc/72/90/96/386729096.db2.gz PMLFCEGOMFDJQQ-KKOKHZNYSA-N 0 3 242.363 0.992 20 0 BCADHN Cn1nccc1CCN1CCCOCC1 ZINC000335539362 386745275 /nfs/dbraw/zinc/74/52/75/386745275.db2.gz AGMAJIDNSVXVHV-UHFFFAOYSA-N 0 3 209.293 0.685 20 0 BCADHN COC1(CNC(=O)N(C)CCN(C)C)CCC1 ZINC000357244245 386746206 /nfs/dbraw/zinc/74/62/06/386746206.db2.gz DJNNPXKMHLCTRU-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN Cc1nnc(N2CC[C@@H](N(C)CCO)[C@H]2C)o1 ZINC000520692571 386747403 /nfs/dbraw/zinc/74/74/03/386747403.db2.gz ZDPBFDPIASKKGC-PSASIEDQSA-N 0 3 240.307 0.269 20 0 BCADHN C[C@H](NC[C@H](CO)[C@@H]1CCOC1)c1cn[nH]c1 ZINC000330493812 386749179 /nfs/dbraw/zinc/74/91/79/386749179.db2.gz NIPZVPKSMJXQPE-HOSYDEDBSA-N 0 3 239.319 0.705 20 0 BCADHN C[C@H](O)CN1CCC[C@@H](c2ccnn2C)C1 ZINC000334150041 386749188 /nfs/dbraw/zinc/74/91/88/386749188.db2.gz KAJFGSKMLGKTDY-WDEREUQCSA-N 0 3 223.320 0.980 20 0 BCADHN Cc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)o1 ZINC000334149237 386749498 /nfs/dbraw/zinc/74/94/98/386749498.db2.gz HCIVTXKNBWMQBH-LBPRGKRZSA-N 0 3 238.287 0.384 20 0 BCADHN Cc1n[nH]cc1CNCCCc1cnn(C)n1 ZINC000292925166 386750460 /nfs/dbraw/zinc/75/04/60/386750460.db2.gz IOHCKBTVZPOOAJ-UHFFFAOYSA-N 0 3 234.307 0.569 20 0 BCADHN CCNC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC000348524657 386751619 /nfs/dbraw/zinc/75/16/19/386751619.db2.gz DLYNTKRAIKXKBK-NXEZZACHSA-N 0 3 243.351 0.213 20 0 BCADHN COCCN1CCC[C@H]1CNCc1cocn1 ZINC000192305801 386757003 /nfs/dbraw/zinc/75/70/03/386757003.db2.gz XVMXWUORQZMJCT-LBPRGKRZSA-N 0 3 239.319 0.875 20 0 BCADHN CC(C)CNC(=O)CN(C[C@H](C)O)C(C)C ZINC000340766809 386769753 /nfs/dbraw/zinc/76/97/53/386769753.db2.gz HEBJCZYFRIZCMU-NSHDSACASA-N 0 3 230.352 0.850 20 0 BCADHN O=C([C@@H]1CCCCO1)N1CCCNCC1 ZINC000050958246 386758958 /nfs/dbraw/zinc/75/89/58/386758958.db2.gz RJKHBRCMHKDMLX-JTQLQIEISA-N 0 3 212.293 0.377 20 0 BCADHN COCCCN(C)CCNCc1cocn1 ZINC000192318583 386761285 /nfs/dbraw/zinc/76/12/85/386761285.db2.gz PKRCEQYERBZZBV-UHFFFAOYSA-N 0 3 227.308 0.733 20 0 BCADHN Cc1cnn(CCN[C@@H]2C(=O)NCC[C@H]2C)c1 ZINC000330505004 386761687 /nfs/dbraw/zinc/76/16/87/386761687.db2.gz JNGRINDRJVCFKU-MNOVXSKESA-N 0 3 236.319 0.306 20 0 BCADHN c1nc2cnccn2c1CNCCN1CCC1 ZINC000344846403 386762055 /nfs/dbraw/zinc/76/20/55/386762055.db2.gz LZQCVOSSPAPXCV-UHFFFAOYSA-N 0 3 231.303 0.525 20 0 BCADHN Cc1cnn(CCN[C@@H]2C(=O)NCC[C@@H]2C)c1 ZINC000330505006 386762511 /nfs/dbraw/zinc/76/25/11/386762511.db2.gz JNGRINDRJVCFKU-QWRGUYRKSA-N 0 3 236.319 0.306 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H](C)Cn1cncn1 ZINC000269232848 386762784 /nfs/dbraw/zinc/76/27/84/386762784.db2.gz PYOICFILIAYVLN-ONGXEEELSA-N 0 3 239.323 0.300 20 0 BCADHN Cc1nc(C)c(NC(=O)[C@H]2C[C@H](O)CN2)s1 ZINC000269223001 386763590 /nfs/dbraw/zinc/76/35/90/386763590.db2.gz CCHCMPCRILCWTG-JGVFFNPUSA-N 0 3 241.316 0.421 20 0 BCADHN Cc1ccc2nc(CNC(=O)C3(N)CC3)cn2c1 ZINC000269259393 386765996 /nfs/dbraw/zinc/76/59/96/386765996.db2.gz VCCRRDKOVHZZGY-UHFFFAOYSA-N 0 3 244.298 0.750 20 0 BCADHN CC[C@H](N)C(=O)NCc1cn2ccsc2n1 ZINC000269251625 386766521 /nfs/dbraw/zinc/76/65/21/386766521.db2.gz ZDEMETGTYDKRRV-QMMMGPOBSA-N 0 3 238.316 0.749 20 0 BCADHN COC[C@H](O)CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000348926568 386767748 /nfs/dbraw/zinc/76/77/48/386767748.db2.gz IUOGZGHSLYCHOK-GARJFASQSA-N 0 3 216.325 0.018 20 0 BCADHN CC1CCN(CC(=O)N2CCNC[C@@H]2C)CC1 ZINC000335537730 386742066 /nfs/dbraw/zinc/74/20/66/386742066.db2.gz BPQGQUKBXUKLRY-LBPRGKRZSA-N 0 3 239.363 0.539 20 0 BCADHN COCCn1ccc(NC(=O)[C@H](N)C(C)C)n1 ZINC000269065034 386744228 /nfs/dbraw/zinc/74/42/28/386744228.db2.gz ZYOASMGDMMMCRG-SNVBAGLBSA-N 0 3 240.307 0.451 20 0 BCADHN CN(Cc1ccn(C)n1)[C@H]1CN2CCC1CC2 ZINC000639396892 386793127 /nfs/dbraw/zinc/79/31/27/386793127.db2.gz LJHHCMJQIIYVPK-ZDUSSCGKSA-N 0 3 234.347 0.946 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NCc1cnnn1C ZINC000344890643 386793659 /nfs/dbraw/zinc/79/36/59/386793659.db2.gz OPLRBIBYEOHITF-JOYOIKCWSA-N 0 3 235.335 0.387 20 0 BCADHN Cc1c(CN2CC[C@](C)(C(N)=O)C2)cnn1C ZINC000280254082 386794235 /nfs/dbraw/zinc/79/42/35/386794235.db2.gz LJKIKPQPCBQHSN-LBPRGKRZSA-N 0 3 236.319 0.426 20 0 BCADHN CC(C)(C)SCCN1C[C@@H](O)C[C@H]1CO ZINC000367259742 386770552 /nfs/dbraw/zinc/77/05/52/386770552.db2.gz XUXMCQFWLIMPOD-UWVGGRQHSA-N 0 3 233.377 0.946 20 0 BCADHN CO[C@@]1(CNC(=O)CN(C)C(C)C)CCOC1 ZINC000330894767 386774248 /nfs/dbraw/zinc/77/42/48/386774248.db2.gz KBZWHOYRUOHJPT-GFCCVEGCSA-N 0 3 244.335 0.248 20 0 BCADHN CCCN(CCN(C)C)C(=O)CC(=O)N(C)C ZINC000344819010 386777881 /nfs/dbraw/zinc/77/78/81/386777881.db2.gz AVOYIIRCUMWJRE-UHFFFAOYSA-N 0 3 243.351 0.265 20 0 BCADHN CC[C@H](F)CN[C@H]1CCC(=O)N[C@H]1C ZINC000336666518 386779357 /nfs/dbraw/zinc/77/93/57/386779357.db2.gz VUXILOQMHDADJD-CIUDSAMLSA-N 0 3 202.273 0.991 20 0 BCADHN CC(C)N(CC(=O)NCC1CC1)C[C@@H](C)O ZINC000340823540 386783344 /nfs/dbraw/zinc/78/33/44/386783344.db2.gz OUXDQKQOYZRKFP-SNVBAGLBSA-N 0 3 228.336 0.604 20 0 BCADHN CO[C@H]1C[C@@H](CN(C)C(=O)CC(N)=O)N(C)C1 ZINC000330542912 386783764 /nfs/dbraw/zinc/78/37/64/386783764.db2.gz AULXOAAUJOHVBQ-IUCAKERBSA-N 0 3 243.307 0.089 20 0 BCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H](C)O ZINC000344870288 386785899 /nfs/dbraw/zinc/78/58/99/386785899.db2.gz SVNPEWUJIVLESO-MXWKQRLJSA-N 0 3 228.336 0.604 20 0 BCADHN OC[C@@H]1C[C@@H](F)CN1C[C@@H]1CCCOC1 ZINC000344876343 386786160 /nfs/dbraw/zinc/78/61/60/386786160.db2.gz OEMWEROKCQBLIG-AXFHLTTASA-N 0 3 217.284 0.818 20 0 BCADHN Cc1n[nH]cc1CN1CCCN(C)CC1 ZINC000269384980 386786187 /nfs/dbraw/zinc/78/61/87/386786187.db2.gz ZCHGRYBGSIGFBI-UHFFFAOYSA-N 0 3 208.309 0.856 20 0 BCADHN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@H]1CN2CCN1CCC2 ZINC000428074967 386796664 /nfs/dbraw/zinc/79/66/64/386796664.db2.gz PCIJBOKISCITLC-XQHKEYJVSA-N 0 3 249.358 0.291 20 0 BCADHN COC(=O)[C@@H]1CCN(CCCNC(C)=O)C1 ZINC000357475498 386788363 /nfs/dbraw/zinc/78/83/63/386788363.db2.gz OCVAWKPWYIANIH-SNVBAGLBSA-N 0 3 228.292 0.008 20 0 BCADHN Cn1cc(CN2CCC[C@H](O)CC2)cn1 ZINC000293250433 386788944 /nfs/dbraw/zinc/78/89/44/386788944.db2.gz TWKXKQRVUQZREJ-NSHDSACASA-N 0 3 209.293 0.767 20 0 BCADHN CCN(CCO)CCNC(=O)c1cc(F)c[nH]1 ZINC000293421438 386816817 /nfs/dbraw/zinc/81/68/17/386816817.db2.gz GYRXMLGMAALTCR-UHFFFAOYSA-N 0 3 243.282 0.198 20 0 BCADHN COC(=O)[C@H]1CCN(Cc2cnc[nH]2)C1 ZINC000280467629 386818185 /nfs/dbraw/zinc/81/81/85/386818185.db2.gz MOYIBXFSGPYKGR-QMMMGPOBSA-N 0 3 209.249 0.405 20 0 BCADHN Cc1ccnc(C(=O)NCC2=CCN(C)CC2)n1 ZINC000329989367 386819884 /nfs/dbraw/zinc/81/98/84/386819884.db2.gz VDINPWHHPOKJFY-UHFFFAOYSA-N 0 3 246.314 0.777 20 0 BCADHN CNC(=O)CCCN[C@@H](C)c1nccnc1C ZINC000398422680 386820698 /nfs/dbraw/zinc/82/06/98/386820698.db2.gz ZJWGTIVLZYOURX-VIFPVBQESA-N 0 3 236.319 0.962 20 0 BCADHN CN(CCO)C[C@H](O)Cc1ccc(F)cc1 ZINC000293466730 386820903 /nfs/dbraw/zinc/82/09/03/386820903.db2.gz LNQGPKRZJDZFFH-GFCCVEGCSA-N 0 3 227.279 0.653 20 0 BCADHN CCOC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000357665449 386821160 /nfs/dbraw/zinc/82/11/60/386821160.db2.gz XDWJGXNKPCPLOC-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCCC(=O)NC ZINC000398429584 386824008 /nfs/dbraw/zinc/82/40/08/386824008.db2.gz ZICKQCDHVDFADE-PSASIEDQSA-N 0 3 229.324 0.002 20 0 BCADHN CC[C@@H](C(=O)NC1(CO)CCCC1)N(C)C ZINC000331358684 386797661 /nfs/dbraw/zinc/79/76/61/386797661.db2.gz VMPDINKRHBBOKG-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN O=C1N[C@H]2CN(CCCF)CC[C@@H]2CO1 ZINC000366882614 386798471 /nfs/dbraw/zinc/79/84/71/386798471.db2.gz LMJAZQRUYXABDZ-BDAKNGLRSA-N 0 3 216.256 0.776 20 0 BCADHN Cc1cccn2c(CN[C@@H](C)CC(N)=O)cnc12 ZINC000344908253 386799278 /nfs/dbraw/zinc/79/92/78/386799278.db2.gz YYJUUVXOULYVTH-JTQLQIEISA-N 0 3 246.314 0.996 20 0 BCADHN CN(CCO)[C@@H](CC(N)=O)c1ccccc1 ZINC000280301228 386801379 /nfs/dbraw/zinc/80/13/79/386801379.db2.gz FSULPOMDARQTGK-NSHDSACASA-N 0 3 222.288 0.527 20 0 BCADHN CCN(C)CCNC(=O)CCc1cncn1C ZINC000280295809 386801438 /nfs/dbraw/zinc/80/14/38/386801438.db2.gz XMKJTPNNYSMOEW-UHFFFAOYSA-N 0 3 238.335 0.421 20 0 BCADHN CC[C@@H]1CN(C)CCN1CC[C@@H]1CCNC1=O ZINC000571175960 386803504 /nfs/dbraw/zinc/80/35/04/386803504.db2.gz PKAUTRIQORUOGI-NWDGAFQWSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@H](CN1CCOCC1)N(C)Cc1cnc[nH]1 ZINC000280314697 386804387 /nfs/dbraw/zinc/80/43/87/386804387.db2.gz XKRUADQLBZUIFP-LLVKDONJSA-N 0 3 238.335 0.562 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@](C)(C(N)=O)C1 ZINC000280325521 386804764 /nfs/dbraw/zinc/80/47/64/386804764.db2.gz QTCRJSNVAQTQEE-LLVKDONJSA-N 0 3 222.292 0.415 20 0 BCADHN COC(=O)CNC(=O)CN1CCC[C@@H]1C(C)C ZINC000330639952 386808440 /nfs/dbraw/zinc/80/84/40/386808440.db2.gz CJAORVDPLMZMOP-SNVBAGLBSA-N 0 3 242.319 0.396 20 0 BCADHN CS[C@@H]1CC[C@H]1NCc1cnnn1C ZINC000336671043 386809441 /nfs/dbraw/zinc/80/94/41/386809441.db2.gz YWPOYLYZUBIWOF-RKDXNWHRSA-N 0 3 212.322 0.799 20 0 BCADHN CN1CCC(NC(=O)NCCCCCO)CC1 ZINC000193010689 386810687 /nfs/dbraw/zinc/81/06/87/386810687.db2.gz BDMMUCYGEYFVOS-UHFFFAOYSA-N 0 3 243.351 0.542 20 0 BCADHN C[C@H](CCC(C)(C)C)NC(=O)C(=O)NCCN ZINC000395335142 386813655 /nfs/dbraw/zinc/81/36/55/386813655.db2.gz VSOSQMSDPIHUKR-SECBINFHSA-N 0 3 243.351 0.392 20 0 BCADHN CCn1nncc1CN[C@H](CO)CC(C)C ZINC000417871094 386814072 /nfs/dbraw/zinc/81/40/72/386814072.db2.gz JEUBXMVKQIFUSB-JTQLQIEISA-N 0 3 226.324 0.795 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCCCC(=O)NC ZINC000398384884 386815577 /nfs/dbraw/zinc/81/55/77/386815577.db2.gz IKMVXROFPVKISK-LLVKDONJSA-N 0 3 229.324 0.146 20 0 BCADHN CCN(C)CCNC(=O)NC[C@H](OC)C(C)C ZINC000341041005 386829333 /nfs/dbraw/zinc/82/93/33/386829333.db2.gz AMNPGHMZBCDDJA-NSHDSACASA-N 0 3 245.367 0.908 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C[C@@H]1CCCC[C@H]1O ZINC000330682960 386831006 /nfs/dbraw/zinc/83/10/06/386831006.db2.gz QNZNEFIYOHBWCB-SDDRHHMPSA-N 0 3 242.363 0.994 20 0 BCADHN CC(=O)N1CC[C@H](N[C@H](C)c2ccnn2C)C1 ZINC000408448663 386832415 /nfs/dbraw/zinc/83/24/15/386832415.db2.gz ZCYNFSPLTLVBOQ-KOLCDFICSA-N 0 3 236.319 0.692 20 0 BCADHN CNC(=O)C1CN(C[C@@H]2CCSC2)C1 ZINC000334780504 386835731 /nfs/dbraw/zinc/83/57/31/386835731.db2.gz MQBQSLWAJJQMCY-QMMMGPOBSA-N 0 3 214.334 0.417 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1cccc(CO)c1 ZINC000637981081 386835853 /nfs/dbraw/zinc/83/58/53/386835853.db2.gz OOQBWEVRQSQBRB-JTQLQIEISA-N 0 3 236.315 0.793 20 0 BCADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)C(C)(C)C1)N(C)C ZINC000334781988 386837812 /nfs/dbraw/zinc/83/78/12/386837812.db2.gz VZUGSTYTPIQJNA-MNOVXSKESA-N 0 3 242.363 0.802 20 0 BCADHN CC(=O)N1CCN(C[C@H](O)C(C)(C)C)[C@@H](C)C1 ZINC000334783340 386838826 /nfs/dbraw/zinc/83/88/26/386838826.db2.gz JODHJULRMNYYCD-JQWIXIFHSA-N 0 3 242.363 0.946 20 0 BCADHN CCN(C)CCNC(=O)C1(OC)CCOCC1 ZINC000339952572 386840896 /nfs/dbraw/zinc/84/08/96/386840896.db2.gz SJVOPUQKWVEWRQ-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN C[C@H](CNCc1cnn(C)n1)Cn1ccnc1 ZINC000293585068 386843275 /nfs/dbraw/zinc/84/32/75/386843275.db2.gz NXTIPZLOAOJULV-SNVBAGLBSA-N 0 3 234.307 0.438 20 0 BCADHN CCOC[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000331365961 386845546 /nfs/dbraw/zinc/84/55/46/386845546.db2.gz CTVUFSYVWMWHOE-AXFHLTTASA-N 0 3 226.320 0.609 20 0 BCADHN O=S(=O)(NCCCN1CCCC1)N1CCC1 ZINC000331371758 386845779 /nfs/dbraw/zinc/84/57/79/386845779.db2.gz IZPVEKQJSKXORJ-UHFFFAOYSA-N 0 3 247.364 0.012 20 0 BCADHN CC(C)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1N ZINC000331364583 386845811 /nfs/dbraw/zinc/84/58/11/386845811.db2.gz BNDYKWPTFBRALF-MXWKQRLJSA-N 0 3 226.320 0.607 20 0 BCADHN CCN(CCCO)C(=O)NCCN(C)C1CC1 ZINC000341134469 386845823 /nfs/dbraw/zinc/84/58/23/386845823.db2.gz UMTLAUIWSIJWKH-UHFFFAOYSA-N 0 3 243.351 0.495 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)c1cc(F)c[nH]1 ZINC000293595311 386846454 /nfs/dbraw/zinc/84/64/54/386846454.db2.gz RLXLWMYJSFWORL-NSHDSACASA-N 0 3 243.282 0.196 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NCc1ccncc1 ZINC000645184687 386848059 /nfs/dbraw/zinc/84/80/59/386848059.db2.gz BAKGSJHNSYFITL-JTQLQIEISA-N 0 3 219.288 0.696 20 0 BCADHN C[C@H](O)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000331403735 386849392 /nfs/dbraw/zinc/84/93/92/386849392.db2.gz AOOUBYGWMBCSGU-GXSJLCMTSA-N 0 3 226.320 0.500 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCc1cccnc1 ZINC000645186058 386851171 /nfs/dbraw/zinc/85/11/71/386851171.db2.gz VSQYOEBRMYBYHX-SNVBAGLBSA-N 0 3 219.288 0.696 20 0 BCADHN CN(C[C@@H]1CCCN1C)[C@@H]1CCN(C)C1=O ZINC000334788986 386851635 /nfs/dbraw/zinc/85/16/35/386851635.db2.gz HVAGCLXRXKLQJZ-WDEREUQCSA-N 0 3 225.336 0.243 20 0 BCADHN C[C@H](CC(=O)N(C)C)N[C@H]1CCCN(C)C1=O ZINC000341315095 386893449 /nfs/dbraw/zinc/89/34/49/386893449.db2.gz QNLYAFMWEBJMAM-ZJUUUORDSA-N 0 3 241.335 0.064 20 0 BCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)N(C)C ZINC000357864709 386855448 /nfs/dbraw/zinc/85/54/48/386855448.db2.gz PFMPXCBYARIARC-GXSJLCMTSA-N 0 3 241.335 0.064 20 0 BCADHN O=C(CC1CC1)N[C@H](CO)CN1CCCCC1 ZINC000331450156 386855819 /nfs/dbraw/zinc/85/58/19/386855819.db2.gz CWBDRTAVNUYEPU-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@H](C(=O)NC1CC1)N(C)C[C@H]1CCC[C@H]1O ZINC000331457233 386856148 /nfs/dbraw/zinc/85/61/48/386856148.db2.gz KDSFULJPEWJGIG-CKYFFXLPSA-N 0 3 240.347 0.746 20 0 BCADHN CN(C)CCSCC(=O)NC(=O)NC1CC1 ZINC000331760778 386895421 /nfs/dbraw/zinc/89/54/21/386895421.db2.gz NMURHXSIRFUSCU-UHFFFAOYSA-N 0 3 245.348 0.269 20 0 BCADHN O=C1CC[C@H](NCc2c[nH]cn2)[C@H](C2CC2)N1 ZINC000341241839 386858637 /nfs/dbraw/zinc/85/86/37/386858637.db2.gz ZZMABBJMGAXAHW-JQWIXIFHSA-N 0 3 234.303 0.557 20 0 BCADHN O=C1CC[C@H](NCc2cnc[nH]2)[C@H](C2CC2)N1 ZINC000341241839 386858640 /nfs/dbraw/zinc/85/86/40/386858640.db2.gz ZZMABBJMGAXAHW-JQWIXIFHSA-N 0 3 234.303 0.557 20 0 BCADHN CN(C[C@H]1CCCN1C)[C@H]1CCCNC1=O ZINC000334793350 386859500 /nfs/dbraw/zinc/85/95/00/386859500.db2.gz ZYCDHGSMUSZNLM-MNOVXSKESA-N 0 3 225.336 0.291 20 0 BCADHN CN(C[C@@H]1CCCN1C)[C@H]1CCCNC1=O ZINC000334793351 386859790 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/nfs/dbraw/zinc/90/92/05/386909205.db2.gz PCFBISBVKJSTNQ-SNVBAGLBSA-N 0 3 247.302 0.379 20 0 BCADHN C[C@@H](NC[C@]1(O)CCN(C)C1)c1cnccn1 ZINC000330881647 386909351 /nfs/dbraw/zinc/90/93/51/386909351.db2.gz NVLJSYRZOPHVCG-ZYHUDNBSSA-N 0 3 236.319 0.194 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@H](CC(N)=O)C1 ZINC000368133390 386946925 /nfs/dbraw/zinc/94/69/25/386946925.db2.gz IWXOJZLXXRVHMX-VIFPVBQESA-N 0 3 222.292 0.415 20 0 BCADHN Cc1nc(CNC(=O)[C@@H](C)N)c2n1CCCC2 ZINC000368015648 386930305 /nfs/dbraw/zinc/93/03/05/386930305.db2.gz ASCHOUKYKARLFO-MRVPVSSYSA-N 0 3 236.319 0.491 20 0 BCADHN CN(CCN1CCCC1)C(=O)CC(N)=O ZINC000330957633 386930665 /nfs/dbraw/zinc/93/06/65/386930665.db2.gz NVAHCDOAIGQDQS-UHFFFAOYSA-N 0 3 213.281 0.466 20 0 BCADHN CCCCNC(=O)CCN(CCO)C1CC1 ZINC000116273113 386930799 /nfs/dbraw/zinc/93/07/99/386930799.db2.gz WWKAYBXGONYTNV-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN CO[C@@H]1C[C@H](NCc2cnnn2C)C12CCC2 ZINC000308412536 386931729 /nfs/dbraw/zinc/93/17/29/386931729.db2.gz ICIKZFIGNOZAMB-WDEREUQCSA-N 0 3 236.319 0.862 20 0 BCADHN C[C@@H](O)C[C@H](C)CNC(=O)[C@@H]1CCCCN1 ZINC000398638162 386931745 /nfs/dbraw/zinc/93/17/45/386931745.db2.gz RYKUPQFKDGXQPS-AXFHLTTASA-N 0 3 228.336 0.652 20 0 BCADHN CCN(CC)C(=O)CN[C@@H]1CCC[C@]1(C)CO ZINC000330967875 386932848 /nfs/dbraw/zinc/93/28/48/386932848.db2.gz AGUWTUPQYFGFLR-DGCLKSJQSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](CNC(=O)N1CCCNCC1)OC ZINC000331963766 386932952 /nfs/dbraw/zinc/93/29/52/386932952.db2.gz KQFURHZNMLWLPB-SNVBAGLBSA-N 0 3 229.324 0.416 20 0 BCADHN CC(C)[C@@H](CO)C(=O)NCC1(N(C)C)CCC1 ZINC000332045425 386947645 /nfs/dbraw/zinc/94/76/45/386947645.db2.gz MEFFEWNMFCGOOB-LLVKDONJSA-N 0 3 242.363 0.851 20 0 BCADHN CN(C)CCNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC000367308859 386935567 /nfs/dbraw/zinc/93/55/67/386935567.db2.gz FPEYJJNMGPUUNE-JTQLQIEISA-N 0 3 236.319 0.507 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000368073414 386936767 /nfs/dbraw/zinc/93/67/67/386936767.db2.gz RMIWPQYYWRTRMJ-UISBYWKRSA-N 0 3 248.330 0.817 20 0 BCADHN CC(C)[C@]1(CO)CCN(CC(=O)NC2CC2)C1 ZINC000368063978 386936867 /nfs/dbraw/zinc/93/68/67/386936867.db2.gz OVAPWPCKGUKQSB-CYBMUJFWSA-N 0 3 240.347 0.605 20 0 BCADHN C[C@@H](NC(=O)CC(C)(C)O)C1=CCN(C)CC1 ZINC000330979978 386938639 /nfs/dbraw/zinc/93/86/39/386938639.db2.gz DTCGSWXYVVARIB-SNVBAGLBSA-N 0 3 240.347 0.914 20 0 BCADHN CN(C)S(=O)(=O)CCN[C@@H]1CCC12CCC2 ZINC000336762772 386940138 /nfs/dbraw/zinc/94/01/38/386940138.db2.gz LPOILYYGCOIJKR-SNVBAGLBSA-N 0 3 246.376 0.800 20 0 BCADHN COC[C@@H](CNC(=O)C1CCN(C)CC1)OC ZINC000358370075 386943861 /nfs/dbraw/zinc/94/38/61/386943861.db2.gz BXIAWQSQGJYGNW-LLVKDONJSA-N 0 3 244.335 0.106 20 0 BCADHN CN(C)CC1(NC(=O)CC(N)=O)CCC1 ZINC000332033021 386944647 /nfs/dbraw/zinc/94/46/47/386944647.db2.gz KBTYQVZTDGVZOV-UHFFFAOYSA-N 0 3 213.281 0.512 20 0 BCADHN CN1CC=C(CNC(=O)CC(C)(C)O)CC1 ZINC000331013498 386946310 /nfs/dbraw/zinc/94/63/10/386946310.db2.gz SXPSCHRNVVIKEY-UHFFFAOYSA-N 0 3 226.320 0.526 20 0 BCADHN Cn1cc2c(n1)CCC[C@@H]2NCCOCCO ZINC000331073825 386955089 /nfs/dbraw/zinc/95/50/89/386955089.db2.gz GCLOZIRVSMZOII-NSHDSACASA-N 0 3 239.319 0.396 20 0 BCADHN CCN1CC[C@H](NC(=O)c2ccccn2)C1 ZINC000334824763 386956468 /nfs/dbraw/zinc/95/64/68/386956468.db2.gz MTJHHZJOQCIYJQ-JTQLQIEISA-N 0 3 219.288 0.906 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@@H](O)C(C)(C)C ZINC000324323981 386957830 /nfs/dbraw/zinc/95/78/30/386957830.db2.gz IRKQANUKYGLHHX-RKDXNWHRSA-N 0 3 216.325 0.493 20 0 BCADHN CCCNC(=O)CN1CC[C@@H](CO)[C@H]1C ZINC000395176452 386960593 /nfs/dbraw/zinc/96/05/93/386960593.db2.gz JEEHMJGMCKYWGO-ZJUUUORDSA-N 0 3 214.309 0.215 20 0 BCADHN CN(C[C@H]1CCCOC1)C(=O)[C@@H]1C[C@@H]1N ZINC000332143466 386963352 /nfs/dbraw/zinc/96/33/52/386963352.db2.gz MUNLMAZWRHKIQK-BBBLOLIVSA-N 0 3 212.293 0.219 20 0 BCADHN CC[C@H](O)CCCNC(=O)N[C@H](C)CN(C)C ZINC000358501003 386965738 /nfs/dbraw/zinc/96/57/38/386965738.db2.gz MYFDCFKWPKMWCB-MNOVXSKESA-N 0 3 245.367 0.787 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)C(N)C(F)(F)F ZINC000352910158 386965837 /nfs/dbraw/zinc/96/58/37/386965837.db2.gz FXAFZHPYWIDWMK-RNFRBKRXSA-N 0 3 242.241 0.399 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000352916307 386966047 /nfs/dbraw/zinc/96/60/47/386966047.db2.gz QNFSPHVDWIWUSM-GMTAPVOTSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCC(F)F ZINC000358500470 386966077 /nfs/dbraw/zinc/96/60/77/386966077.db2.gz MNGRWNRSBFBTQO-LURJTMIESA-N 0 3 209.240 0.501 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000352916308 386966357 /nfs/dbraw/zinc/96/63/57/386966357.db2.gz QNFSPHVDWIWUSM-HBNTYKKESA-N 0 3 228.336 0.997 20 0 BCADHN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1N ZINC000332165967 386966827 /nfs/dbraw/zinc/96/68/27/386966827.db2.gz SDRZEIOIARZLGW-WISYIIOYSA-N 0 3 240.347 0.901 20 0 BCADHN CCONC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000368379638 386967038 /nfs/dbraw/zinc/96/70/38/386967038.db2.gz GCDSVLRXKDAHIZ-ZJUUUORDSA-N 0 3 227.308 0.674 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)C[C@H]1CCCO1 ZINC000358495317 386967358 /nfs/dbraw/zinc/96/73/58/386967358.db2.gz HXLCBQMPYMNHJK-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN CCONC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000368379635 386967658 /nfs/dbraw/zinc/96/76/58/386967658.db2.gz GCDSVLRXKDAHIZ-NXEZZACHSA-N 0 3 227.308 0.674 20 0 BCADHN CN(Cc1ccon1)C(=O)C(N)C(F)(F)F ZINC000352921345 386967941 /nfs/dbraw/zinc/96/79/41/386967941.db2.gz JDXHDNYXFGZAIF-ZCFIWIBFSA-N 0 3 237.181 0.523 20 0 BCADHN CO[C@@H](C)CN(C)C(=O)N[C@H](C)CN(C)C ZINC000358502797 386968114 /nfs/dbraw/zinc/96/81/14/386968114.db2.gz PNFKYAXCEBACJC-ZJUUUORDSA-N 0 3 231.340 0.613 20 0 BCADHN C[C@H](CCO)CNC(=O)N[C@@H](C)CN(C)C ZINC000358502680 386969516 /nfs/dbraw/zinc/96/95/16/386969516.db2.gz PGROOQIATIGHMM-ZJUUUORDSA-N 0 3 231.340 0.254 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@H](O)C1CC1 ZINC000358505932 386969583 /nfs/dbraw/zinc/96/95/83/386969583.db2.gz SUDXNARCFJMXQC-WPRPVWTQSA-N 0 3 229.324 0.007 20 0 BCADHN 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20 0 BCADHN C[C@H](CO)[C@H](C)NCC(=O)N1CCC[C@@H](C)C1 ZINC000358791812 387013926 /nfs/dbraw/zinc/01/39/26/387013926.db2.gz MACKIAXULMFMRY-UTUOFQBUSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H](NCC(=O)NCc1ccco1)[C@H](C)CO ZINC000358789181 387014133 /nfs/dbraw/zinc/01/41/33/387014133.db2.gz HLMGTJMOJCHGCM-NXEZZACHSA-N 0 3 240.303 0.502 20 0 BCADHN Cc1noc(C)c1CO[C@@H]1CCN(CCO)C1 ZINC000368833254 387015844 /nfs/dbraw/zinc/01/58/44/387015844.db2.gz HMQOTANZFVMODH-LLVKDONJSA-N 0 3 240.303 0.875 20 0 BCADHN C[C@@]1(CNC(=O)N2CCCNCC2)CCCO1 ZINC000334944038 387021903 /nfs/dbraw/zinc/02/19/03/387021903.db2.gz LTZZMLOANBIUHJ-LBPRGKRZSA-N 0 3 241.335 0.560 20 0 BCADHN O=C(NCc1cccc(O)c1)N1CCCNCC1 ZINC000334880469 387023803 /nfs/dbraw/zinc/02/38/03/387023803.db2.gz FMULOPLAJTZHHX-UHFFFAOYSA-N 0 3 249.314 0.897 20 0 BCADHN CO[C@H]1CCC[C@H]1CNCc1cn(C)nn1 ZINC000336763885 387028120 /nfs/dbraw/zinc/02/81/20/387028120.db2.gz MPHLDQUGDAZRGP-ONGXEEELSA-N 0 3 224.308 0.720 20 0 BCADHN CC1(C)CCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000334951684 387029372 /nfs/dbraw/zinc/02/93/72/387029372.db2.gz JIDZCTFZQHIGBI-JTQLQIEISA-N 0 3 241.335 0.416 20 0 BCADHN Cc1csc(S(=O)(=O)[N-][C@H]2C[C@H]([NH3+])C2)c1 ZINC000334980534 387068795 /nfs/dbraw/zinc/06/87/95/387068795.db2.gz MSTIMPFLHZTQIR-ZKCHVHJHSA-N 0 3 246.357 0.825 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)[C@@H]1CCCOC1 ZINC000186716850 387130296 /nfs/dbraw/zinc/13/02/96/387130296.db2.gz MZNHLCQNEHWUCT-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CS[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC000336237013 387072468 /nfs/dbraw/zinc/07/24/68/387072468.db2.gz DXAZMKMDACIXKX-BDAKNGLRSA-N 0 3 214.334 0.654 20 0 BCADHN CC[C@@H](C(=O)N(CCO)CC1CC1)N(C)C ZINC000359250682 387074595 /nfs/dbraw/zinc/07/45/95/387074595.db2.gz ZSHNVLSXEXSDRR-NSHDSACASA-N 0 3 228.336 0.558 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000359256874 387074757 /nfs/dbraw/zinc/07/47/57/387074757.db2.gz ZXUGHVFGVGSGKY-WDEREUQCSA-N 0 3 230.352 0.971 20 0 BCADHN CCOCCC(=O)N(C)CCN(C)C1CC1 ZINC000186738026 387130444 /nfs/dbraw/zinc/13/04/44/387130444.db2.gz CWOJYESMHGGBEO-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CN1CCC(NC(=O)c2cnccc2N)CC1 ZINC000127142547 387078530 /nfs/dbraw/zinc/07/85/30/387078530.db2.gz NMEKXDXPVSRILQ-UHFFFAOYSA-N 0 3 234.303 0.488 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@H]1COC(C)(C)C1 ZINC000418121534 387080335 /nfs/dbraw/zinc/08/03/35/387080335.db2.gz XEXDCTBHTQDMSP-GMTAPVOTSA-N 0 3 229.320 0.947 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)C1CC(C)(O)C1 ZINC000336244968 387081602 /nfs/dbraw/zinc/08/16/02/387081602.db2.gz XFIJMOZNLLHWMJ-AKJDGMEZSA-N 0 3 240.347 0.700 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000228326032 387082078 /nfs/dbraw/zinc/08/20/78/387082078.db2.gz JJUVEKDCPZDPHS-NKWVEPMBSA-N 0 3 242.241 0.543 20 0 BCADHN Cn1cccc1CNC[C@H](O)COCC1CC1 ZINC000118956663 387082804 /nfs/dbraw/zinc/08/28/04/387082804.db2.gz WQNWPSAQMBOVOX-ZDUSSCGKSA-N 0 3 238.331 0.902 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000359332142 387084571 /nfs/dbraw/zinc/08/45/71/387084571.db2.gz ODYKDFFXGTWKFM-CMPLNLGQSA-N 0 3 226.320 0.433 20 0 BCADHN Cc1ccncc1NC(=O)[C@H]1C[C@@H](O)CN1 ZINC000070959297 387084736 /nfs/dbraw/zinc/08/47/36/387084736.db2.gz DHJKOCCTYVXDDA-RKDXNWHRSA-N 0 3 221.260 0.051 20 0 BCADHN Cc1ccncc1NC(=O)[C@H]1C[C@H](O)CN1 ZINC000070959291 387085415 /nfs/dbraw/zinc/08/54/15/387085415.db2.gz DHJKOCCTYVXDDA-DTWKUNHWSA-N 0 3 221.260 0.051 20 0 BCADHN Cn1nccc1CNC(=O)[C@@H](N)C(C)(C)C ZINC000070905668 387085907 /nfs/dbraw/zinc/08/59/07/387085907.db2.gz PEWDJBVHSRAMLQ-SECBINFHSA-N 0 3 224.308 0.410 20 0 BCADHN COCC[C@H](C)NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000417426502 387087851 /nfs/dbraw/zinc/08/78/51/387087851.db2.gz NRSWJPKNNWRXKR-GARJFASQSA-N 0 3 243.351 0.803 20 0 BCADHN COCC[C@H](C)NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000417426500 387087884 /nfs/dbraw/zinc/08/78/84/387087884.db2.gz NRSWJPKNNWRXKR-AXFHLTTASA-N 0 3 243.351 0.803 20 0 BCADHN O=C([C@@H]1CCCN(CCO)C1)N1CCCCC1 ZINC000370081774 387087863 /nfs/dbraw/zinc/08/78/63/387087863.db2.gz HONGTFGFPCXKFC-GFCCVEGCSA-N 0 3 240.347 0.703 20 0 BCADHN NC(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000228491437 387088685 /nfs/dbraw/zinc/08/86/85/387088685.db2.gz VLAXKDPGZMSBTJ-TUAOUCFPSA-N 0 3 240.347 0.877 20 0 BCADHN CCN(CC)CC(=O)NCCC(=O)OC ZINC000066697389 387089213 /nfs/dbraw/zinc/08/92/13/387089213.db2.gz WMOSUSYDOGCYHY-UHFFFAOYSA-N 0 3 216.281 0.008 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000119033920 387090280 /nfs/dbraw/zinc/09/02/80/387090280.db2.gz XRYRJVGHIPOFEX-AXFHLTTASA-N 0 3 236.319 0.830 20 0 BCADHN COC1(C(=O)N(C)CCN(C)C)CCC1 ZINC000359361881 387090682 /nfs/dbraw/zinc/09/06/82/387090682.db2.gz OIKYIXPXHCDWOM-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN CN(C(=O)c1cnccc1N)C1CCN(C)CC1 ZINC000126973523 387092432 /nfs/dbraw/zinc/09/24/32/387092432.db2.gz LJBQKBUSJGUAIX-UHFFFAOYSA-N 0 3 248.330 0.830 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000066891817 387092663 /nfs/dbraw/zinc/09/26/63/387092663.db2.gz RQAOEAKASKPCDU-LLVKDONJSA-N 0 3 226.320 0.720 20 0 BCADHN CC[C@@H](O)CNC(=O)N[C@@H](C)CN(C)C ZINC000645504026 387092831 /nfs/dbraw/zinc/09/28/31/387092831.db2.gz BRNZZWPTODLDEH-DTWKUNHWSA-N 0 3 217.313 0.007 20 0 BCADHN CCCC[C@@H](N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000228450023 387093783 /nfs/dbraw/zinc/09/37/83/387093783.db2.gz JJUVEKDCPZDPHS-RNFRBKRXSA-N 0 3 242.241 0.543 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)C[C@H](C)C(=O)NC ZINC000228451082 387093930 /nfs/dbraw/zinc/09/39/30/387093930.db2.gz ZHMGNWRXUQNYSJ-VHSXEESVSA-N 0 3 243.351 0.344 20 0 BCADHN C[C@@H](NCC(=O)N1CCCCCC1)[C@H](C)CO ZINC000228591274 387095453 /nfs/dbraw/zinc/09/54/53/387095453.db2.gz HQHQXYLHKFZGES-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)(C)CN(CCCO)CC(=O)N1CCC1 ZINC000359389670 387096172 /nfs/dbraw/zinc/09/61/72/387096172.db2.gz LTIVCEPBRKPXJU-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN COCCOCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000067865720 387098762 /nfs/dbraw/zinc/09/87/62/387098762.db2.gz NYRPPYVQZMGUMN-SNVBAGLBSA-N 0 3 242.319 0.002 20 0 BCADHN CCN(CC1CC1)C(=O)C(C)S(C)(=O)=O ZINC000112178663 387100380 /nfs/dbraw/zinc/10/03/80/387100380.db2.gz CAUDFYVVAUDGFX-MRVPVSSYSA-N 0 3 233.333 0.678 20 0 BCADHN COC(C)(C)C[C@@H](C)NC(=O)[C@H](C)N ZINC000162002605 387101840 /nfs/dbraw/zinc/10/18/40/387101840.db2.gz WKMUWHPVESAKNX-SFYZADRCSA-N 0 3 202.298 0.653 20 0 BCADHN CC(C)CCN1CCC[C@H](S(N)(=O)=O)C1 ZINC000370252878 387101796 /nfs/dbraw/zinc/10/17/96/387101796.db2.gz PWJFKDRSTVWHRI-JTQLQIEISA-N 0 3 234.365 0.785 20 0 BCADHN CS[C@H]1CCN([C@@H](C)C(=O)N(C)C)C1 ZINC000336273320 387105751 /nfs/dbraw/zinc/10/57/51/387105751.db2.gz LJQNBFPKXDVWET-IUCAKERBSA-N 0 3 216.350 0.900 20 0 BCADHN CCC[C@]1(CO)CCCN1CC(=O)N(C)C ZINC000352355663 387108448 /nfs/dbraw/zinc/10/84/48/387108448.db2.gz DHCZZUFILVAQBU-GFCCVEGCSA-N 0 3 228.336 0.702 20 0 BCADHN CCCN(C)[C@@H](C)C(=O)NC(=O)NCC ZINC000069092721 387112189 /nfs/dbraw/zinc/11/21/89/387112189.db2.gz IFNDQKQQYJDDOC-QMMMGPOBSA-N 0 3 215.297 0.562 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)N1CC(F)C1 ZINC000334949651 387112458 /nfs/dbraw/zinc/11/24/58/387112458.db2.gz BNRVPXRETNRASF-ZETCQYMHSA-N 0 3 237.225 0.347 20 0 BCADHN CCN(CCNC(=O)[C@@](C)(O)C(C)C)C1CC1 ZINC000353085735 387112651 /nfs/dbraw/zinc/11/26/51/387112651.db2.gz LRAFXZONDRJLBH-ZDUSSCGKSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](NCCn1cncn1)c1cn[nH]c1 ZINC000336766544 387112862 /nfs/dbraw/zinc/11/28/62/387112862.db2.gz SCSWEPXFEIUSLH-QMMMGPOBSA-N 0 3 206.253 0.352 20 0 BCADHN CCOC(=O)C1CCN(C[C@@H](O)COC)CC1 ZINC000069053855 387112979 /nfs/dbraw/zinc/11/29/79/387112979.db2.gz FQDWTCLOGJSURM-LLVKDONJSA-N 0 3 245.319 0.269 20 0 BCADHN CCOC[C@H](O)CN1CCN(CC(C)C)CC1 ZINC000069051602 387113043 /nfs/dbraw/zinc/11/30/43/387113043.db2.gz ACBQHULPVPOFSN-CYBMUJFWSA-N 0 3 244.379 0.657 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)N1CC(F)C1 ZINC000334949649 387113352 /nfs/dbraw/zinc/11/33/52/387113352.db2.gz BNRVPXRETNRASF-SSDOTTSWSA-N 0 3 237.225 0.347 20 0 BCADHN Cc1ccc(O)c(CN2C[C@H](O)C[C@@H]2CO)n1 ZINC000370398717 387113594 /nfs/dbraw/zinc/11/35/94/387113594.db2.gz IMPZMIQXXPRMDX-NXEZZACHSA-N 0 3 238.287 0.023 20 0 BCADHN COC1(C(=O)NCCOCCN(C)C)CCC1 ZINC000359509518 387113613 /nfs/dbraw/zinc/11/36/13/387113613.db2.gz FMGFZJNSOQXPPP-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN CO[C@@]1(C)CCCN([C@@H]2CCN(C)C2=O)C1 ZINC000335024296 387114156 /nfs/dbraw/zinc/11/41/56/387114156.db2.gz FBUIRDBLRRTTDD-PWSUYJOCSA-N 0 3 226.320 0.718 20 0 BCADHN C([C@@H]1CCOC1)N1CCO[C@]2(CCCOC2)C1 ZINC000352360879 387114321 /nfs/dbraw/zinc/11/43/21/387114321.db2.gz IIKKWOVQMGSSKP-QWHCGFSZSA-N 0 3 241.331 0.904 20 0 BCADHN Cc1ccc(O)c(CN2C[C@@H](O)C[C@@H]2CO)n1 ZINC000370398718 387114596 /nfs/dbraw/zinc/11/45/96/387114596.db2.gz IMPZMIQXXPRMDX-ZJUUUORDSA-N 0 3 238.287 0.023 20 0 BCADHN Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]2N)c(=O)[nH]1 ZINC000335024041 387114718 /nfs/dbraw/zinc/11/47/18/387114718.db2.gz LKWRTKCTDYZEPY-SCZZXKLOSA-N 0 3 235.287 0.367 20 0 BCADHN CCc1ccc([O-])c(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000335024449 387117367 /nfs/dbraw/zinc/11/73/67/387117367.db2.gz NRGQFCGDIYPJSG-PJXYFTJBSA-N 0 3 246.310 0.902 20 0 BCADHN CN(C[C@H]1CCC[C@H]1O)C(=O)C1(N)CCC1 ZINC000335026358 387119135 /nfs/dbraw/zinc/11/91/35/387119135.db2.gz ZLJFCGORNPYIJI-NXEZZACHSA-N 0 3 226.320 0.487 20 0 BCADHN CC(C)(C)[C@H]1CCN(C(=O)CN)C[C@@H]1O ZINC000335027101 387120479 /nfs/dbraw/zinc/12/04/79/387120479.db2.gz OKNHWTQTRSRNAF-IUCAKERBSA-N 0 3 214.309 0.201 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@H](C)C(C)(C)C1 ZINC000335027305 387120785 /nfs/dbraw/zinc/12/07/85/387120785.db2.gz FTIFUCYXAOQKQL-VHSXEESVSA-N 0 3 228.336 0.855 20 0 BCADHN C[C@H](N)C(=O)N1CCCC2(CCOCC2)C1 ZINC000370542880 387123380 /nfs/dbraw/zinc/12/33/80/387123380.db2.gz DGEZAVNYVLFDDB-JTQLQIEISA-N 0 3 226.320 0.753 20 0 BCADHN CN(C)CCN(C)C(=O)C[C@H]1CCCO1 ZINC000359560984 387124085 /nfs/dbraw/zinc/12/40/85/387124085.db2.gz UJOZRITXJXCRBG-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN NCC(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000335029398 387125489 /nfs/dbraw/zinc/12/54/89/387125489.db2.gz LENBHAQHHIZGNP-MWLCHTKSSA-N 0 3 208.236 0.699 20 0 BCADHN CN(CCc1cccnc1)[C@@]1(CO)CCOC1 ZINC000359577883 387125677 /nfs/dbraw/zinc/12/56/77/387125677.db2.gz HUMQSOIIURLQJY-CYBMUJFWSA-N 0 3 236.315 0.707 20 0 BCADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCC[C@H](C)C1 ZINC000335032044 387126362 /nfs/dbraw/zinc/12/63/62/387126362.db2.gz VWWZRNXQCIKRIA-VHSXEESVSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N(C)c2cnn(C)c2)C1 ZINC000335031170 387127643 /nfs/dbraw/zinc/12/76/43/387127643.db2.gz HWJBNVRISUOVPV-KOLCDFICSA-N 0 3 236.319 0.771 20 0 BCADHN COC(=O)CN(C)CCN(C)C1CC1 ZINC000186729888 387128919 /nfs/dbraw/zinc/12/89/19/387128919.db2.gz RNJCOAOPUQVVDQ-UHFFFAOYSA-N 0 3 200.282 0.185 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1CCCS1 ZINC000359590531 387130023 /nfs/dbraw/zinc/13/00/23/387130023.db2.gz KZJKDQLYTZVWFZ-VIFPVBQESA-N 0 3 216.350 0.902 20 0 BCADHN CN(C[C@H]1CCCO1)[C@]1(CO)CCOC1 ZINC000359594879 387130177 /nfs/dbraw/zinc/13/01/77/387130177.db2.gz FEEJCLZMZZIXRN-MNOVXSKESA-N 0 3 215.293 0.249 20 0 BCADHN CC[C@H](CNC(=O)N[C@@H](C)CN(C)C)OC ZINC000359657598 387141909 /nfs/dbraw/zinc/14/19/09/387141909.db2.gz HINGZVMRQMJJBL-VHSXEESVSA-N 0 3 231.340 0.661 20 0 BCADHN CC[C@@H](C(N)=O)N(C)CCN(C)C1CC1 ZINC000186775681 387142159 /nfs/dbraw/zinc/14/21/59/387142159.db2.gz ZVNUXDBUTKFAOT-JTQLQIEISA-N 0 3 213.325 0.276 20 0 BCADHN Cn1ccc(CN[C@H]2CCCCNC2=O)c1 ZINC000085590627 387142678 /nfs/dbraw/zinc/14/26/78/387142678.db2.gz BFIYLSAWANWFGS-NSHDSACASA-N 0 3 221.304 0.783 20 0 BCADHN CC[C@@H](CNC(=O)N[C@@H](C)CN(C)C)OC ZINC000359657597 387142621 /nfs/dbraw/zinc/14/26/21/387142621.db2.gz HINGZVMRQMJJBL-UWVGGRQHSA-N 0 3 231.340 0.661 20 0 BCADHN CO[C@@]1(CNCc2cnc(C)nc2)CCOC1 ZINC000359664477 387142672 /nfs/dbraw/zinc/14/26/72/387142672.db2.gz QQUTZBGFHNRGAZ-GFCCVEGCSA-N 0 3 237.303 0.680 20 0 BCADHN CN1CCN(C(=O)CNC2CC2)c2cccnc21 ZINC000516654429 387143150 /nfs/dbraw/zinc/14/31/50/387143150.db2.gz NMJMJHOUWKENPG-UHFFFAOYSA-N 0 3 246.314 0.616 20 0 BCADHN Cc1c[nH]nc1CN[C@H](C)CN1CCOCC1 ZINC000290008454 387143214 /nfs/dbraw/zinc/14/32/14/387143214.db2.gz UGLKOQAOKUGKJI-LLVKDONJSA-N 0 3 238.335 0.528 20 0 BCADHN CO[C@H](C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000359677573 387144966 /nfs/dbraw/zinc/14/49/66/387144966.db2.gz MWRLXPXHHBDMEC-KOLCDFICSA-N 0 3 246.376 0.575 20 0 BCADHN CCC[C@@]1(CO)CCN(CCOCCO)C1 ZINC000367355021 387146959 /nfs/dbraw/zinc/14/69/59/387146959.db2.gz AIEZJKJONGWKKG-GFCCVEGCSA-N 0 3 231.336 0.480 20 0 BCADHN CCO[C@H]1COCC[C@@H]1NCc1cncn1C ZINC000353163259 387147479 /nfs/dbraw/zinc/14/74/79/387147479.db2.gz HJRYZPZADBZMCS-RYUDHWBXSA-N 0 3 239.319 0.704 20 0 BCADHN COC(=O)CCN1CCC(C)(CO)CC1 ZINC000186947540 387148249 /nfs/dbraw/zinc/14/82/49/387148249.db2.gz YGKLQVDTHGDURV-UHFFFAOYSA-N 0 3 215.293 0.644 20 0 BCADHN NC(C(=O)NCc1ccccn1)C(F)(F)F ZINC000353158342 387148425 /nfs/dbraw/zinc/14/84/25/387148425.db2.gz 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O=C(C[C@@H]1CSCCN1)NC1CCC1 ZINC000085614148 387162556 /nfs/dbraw/zinc/16/25/56/387162556.db2.gz JFYIBNHAUFLNKI-SECBINFHSA-N 0 3 214.334 0.750 20 0 BCADHN Cn1cc(NC(=O)C[C@@H]2CSCCN2)cn1 ZINC000085613181 387162649 /nfs/dbraw/zinc/16/26/49/387162649.db2.gz RELXERHWIIQDAU-MRVPVSSYSA-N 0 3 240.332 0.454 20 0 BCADHN CSCC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000359772624 387163384 /nfs/dbraw/zinc/16/33/84/387163384.db2.gz YACLPJGSNHNKKR-SNVBAGLBSA-N 0 3 248.417 0.903 20 0 BCADHN O=C(COC1CNC1)N[C@@H]1C=CCCC1 ZINC000571763208 387164117 /nfs/dbraw/zinc/16/41/17/387164117.db2.gz DIUWKNAKNJXYIP-SECBINFHSA-N 0 3 210.277 0.200 20 0 BCADHN COC(=O)CCCC(=O)NC[C@H](C)N(C)C ZINC000359795803 387165082 /nfs/dbraw/zinc/16/50/82/387165082.db2.gz MZKFMHIMYWWAJB-VIFPVBQESA-N 0 3 230.308 0.396 20 0 BCADHN O=C(C[C@@H]1CNCCO1)NCC1CCCC1 ZINC000085619188 387165170 /nfs/dbraw/zinc/16/51/70/387165170.db2.gz DQCRKVAMCWAZEC-LLVKDONJSA-N 0 3 226.320 0.671 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000229259607 387165413 /nfs/dbraw/zinc/16/54/13/387165413.db2.gz DPGPIQOGWBUQRP-DCAQKATOSA-N 0 3 228.336 0.652 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000229259572 387165625 /nfs/dbraw/zinc/16/56/25/387165625.db2.gz VNZSULYSYRWQMG-GARJFASQSA-N 0 3 228.336 0.652 20 0 BCADHN CN(C)c1nccc(CNCCc2cn[nH]c2)n1 ZINC000353254159 387166173 /nfs/dbraw/zinc/16/61/73/387166173.db2.gz VBZHVJYJPJIHIV-UHFFFAOYSA-N 0 3 246.318 0.598 20 0 BCADHN CCN(CC[C@@H](C)F)[C@@H]1CCNC1=O ZINC000352405141 387166387 /nfs/dbraw/zinc/16/63/87/387166387.db2.gz GRJFYOAQTYGFJO-RKDXNWHRSA-N 0 3 202.273 0.945 20 0 BCADHN Cn1nncc1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000371328168 387193272 /nfs/dbraw/zinc/19/32/72/387193272.db2.gz SMTUCXAQMLKBQF-QWRGUYRKSA-N 0 3 236.319 0.674 20 0 BCADHN C[C@@H](Cc1ccncc1)NC(=O)C1(N)CC1 ZINC000353258104 387166889 /nfs/dbraw/zinc/16/68/89/387166889.db2.gz ZHPHPVCILRRZLC-VIFPVBQESA-N 0 3 219.288 0.620 20 0 BCADHN C[C@@H](N[C@@H](C)Cn1cncn1)c1cn[nH]c1 ZINC000284269151 387169860 /nfs/dbraw/zinc/16/98/60/387169860.db2.gz WSXXFRHFYYQSRI-DTWKUNHWSA-N 0 3 220.280 0.741 20 0 BCADHN CSCCN1CCNC(=O)C[C@H]1C ZINC000371204180 387172121 /nfs/dbraw/zinc/17/21/21/387172121.db2.gz GARNLPZTSCEGFE-MRVPVSSYSA-N 0 3 202.323 0.560 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC2(CCO2)CC1 ZINC000571796333 387172416 /nfs/dbraw/zinc/17/24/16/387172416.db2.gz GDNUHCFGYZLZKB-NSHDSACASA-N 0 3 243.303 0.165 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cn(C)cn2)CCN1C ZINC000336342333 387172699 /nfs/dbraw/zinc/17/26/99/387172699.db2.gz TWDFUQPEADDQSA-NXEZZACHSA-N 0 3 236.319 0.633 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@H]1NCC(F)(F)CN ZINC000423329025 387172973 /nfs/dbraw/zinc/17/29/73/387172973.db2.gz BCQNVWLGXVSHRZ-WCBMZHEXSA-N 0 3 233.306 0.653 20 0 BCADHN Cc1c[nH]nc1CNCCCN1CCOCC1 ZINC000290028618 387175511 /nfs/dbraw/zinc/17/55/11/387175511.db2.gz VRYQVMDWVMBLBN-UHFFFAOYSA-N 0 3 238.335 0.530 20 0 BCADHN CC(C)C(CNC(=O)C(=O)NCCN)C(C)C ZINC000229508660 387176059 /nfs/dbraw/zinc/17/60/59/387176059.db2.gz RPFXZLDXISEIPP-UHFFFAOYSA-N 0 3 243.351 0.106 20 0 BCADHN O=C([C@H]1CCCN(CCO)C1)N1CCCC1 ZINC000336349698 387178927 /nfs/dbraw/zinc/17/89/27/387178927.db2.gz SXICYLTYRKINEF-NSHDSACASA-N 0 3 226.320 0.313 20 0 BCADHN Cc1cc(CNC(=O)[C@@H]2C[C@H](C)CCN2)[nH]n1 ZINC000643495830 387183970 /nfs/dbraw/zinc/18/39/70/387183970.db2.gz QCHFZCRSSHCOEP-KCJUWKMLSA-N 0 3 236.319 0.722 20 0 BCADHN Cc1cnn([C@H]2CCN([C@@H]3COC[C@H]3O)C2)c1 ZINC000571850336 387184214 /nfs/dbraw/zinc/18/42/14/387184214.db2.gz GFRAMOQZCUJHAC-QJPTWQEYSA-N 0 3 237.303 0.198 20 0 BCADHN O=C1NC[C@H]2CN(C3CCCC3)CCN12 ZINC000120112264 387187076 /nfs/dbraw/zinc/18/70/76/387187076.db2.gz LVXFKHLJMQPPJY-JTQLQIEISA-N 0 3 209.293 0.638 20 0 BCADHN COCCN(C)CCCNC(=O)[C@@]1(C)C[C@@H]1F ZINC000424583593 387189634 /nfs/dbraw/zinc/18/96/34/387189634.db2.gz MBITZWDKIITTND-JQWIXIFHSA-N 0 3 246.326 0.819 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@]2(O)CCOC2)n1 ZINC000229637751 387189725 /nfs/dbraw/zinc/18/97/25/387189725.db2.gz 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0.994 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC(=O)NC(C)(C)C ZINC000035661196 387136399 /nfs/dbraw/zinc/13/63/99/387136399.db2.gz VNKGEKVIRRDNRQ-VIFPVBQESA-N 0 3 229.324 0.001 20 0 BCADHN CC[C@H](N)C(=O)N1CCCO[C@@H]2CCC[C@@H]21 ZINC000370697955 387136750 /nfs/dbraw/zinc/13/67/50/387136750.db2.gz BSDPFMTYFLTTPZ-GARJFASQSA-N 0 3 226.320 0.894 20 0 BCADHN CC(C(=O)NC1CC1)S(=O)(=O)CC1CC1 ZINC000359925280 387192108 /nfs/dbraw/zinc/19/21/08/387192108.db2.gz QZVDBJPRTHCWBB-ZETCQYMHSA-N 0 3 231.317 0.478 20 0 BCADHN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)N)C12CCC2 ZINC000162016796 387138686 /nfs/dbraw/zinc/13/86/86/387138686.db2.gz NGLMBEOTYBMWPF-OPRDCNLKSA-N 0 3 226.320 0.798 20 0 BCADHN CCN(CCNC(=O)Cc1cc[nH]n1)C1CC1 ZINC000121685272 387202945 /nfs/dbraw/zinc/20/29/45/387202945.db2.gz ZFUDZPVNOYWLIS-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2[C@@H](C)COC[C@@H]2C)C1 ZINC000571941095 387206635 /nfs/dbraw/zinc/20/66/35/387206635.db2.gz YKDKEYGVCSGMCI-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000161425734 387208962 /nfs/dbraw/zinc/20/89/62/387208962.db2.gz BUSVLYBFLGFURS-LLVKDONJSA-N 0 3 232.324 0.824 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1nc(C)c(C)s1 ZINC000353478651 387209367 /nfs/dbraw/zinc/20/93/67/387209367.db2.gz FQKOVCJWBJVDJO-QMMMGPOBSA-N 0 3 243.332 0.350 20 0 BCADHN CN(CC1(O)CCC1)[C@@H]1CCN(C2CC2)C1=O ZINC000353477925 387210697 /nfs/dbraw/zinc/21/06/97/387210697.db2.gz DGSDDHJIYPTNML-LLVKDONJSA-N 0 3 238.331 0.597 20 0 BCADHN COCCCCN1CCN(CCO)[C@@H](C)C1 ZINC000187648211 387212096 /nfs/dbraw/zinc/21/20/96/387212096.db2.gz YYIDUGLRIDGWHS-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN C[C@@H]1CN(CCc2cccnc2)CCN1CCO ZINC000187668435 387212522 /nfs/dbraw/zinc/21/25/22/387212522.db2.gz IOZZKYPCBMWEOO-CYBMUJFWSA-N 0 3 249.358 0.623 20 0 BCADHN CC[C@@H]1C[C@H](C)CN1C(=O)C(=O)N(C)CCN ZINC000423361057 387212629 /nfs/dbraw/zinc/21/26/29/387212629.db2.gz WTCRVJOHSGFHAX-VHSXEESVSA-N 0 3 241.335 0.051 20 0 BCADHN COCCNCCNC(=O)NCCCCF ZINC000418195581 387214454 /nfs/dbraw/zinc/21/44/54/387214454.db2.gz BZTWJRMFKVKLMY-UHFFFAOYSA-N 0 3 235.303 0.271 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418210675 387221436 /nfs/dbraw/zinc/22/14/36/387221436.db2.gz SSAYOTJFDODDCP-GARJFASQSA-N 0 3 242.367 0.328 20 0 BCADHN COC[C@@H](C)CNC(=O)N[C@@H](C)CN(C)C ZINC000353542701 387225810 /nfs/dbraw/zinc/22/58/10/387225810.db2.gz NEXUWZYJFNLXRA-UWVGGRQHSA-N 0 3 231.340 0.518 20 0 BCADHN CO[C@H]1COC[C@@H]1NCCn1ccnc1C ZINC000290043065 387229303 /nfs/dbraw/zinc/22/93/03/387229303.db2.gz CTDYNJRTTGPDQB-QWRGUYRKSA-N 0 3 225.292 0.195 20 0 BCADHN CNCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000193137923 387229743 /nfs/dbraw/zinc/22/97/43/387229743.db2.gz ATXTWNAKBQMLHI-GDPRMGEGSA-N 0 3 224.304 0.280 20 0 BCADHN O=C([C@H]1CCCCN1)N1CC[C@@]2(CCOC2)C1 ZINC000237996702 387230410 /nfs/dbraw/zinc/23/04/10/387230410.db2.gz ZNEPPWJQWWFPLD-DGCLKSJQSA-N 0 3 238.331 0.768 20 0 BCADHN CC/C=C\CNC(=O)NCCNCCOC ZINC000418267524 387236447 /nfs/dbraw/zinc/23/64/47/387236447.db2.gz MNNFUNHPSCUVOQ-PLNGDYQASA-N 0 3 229.324 0.488 20 0 BCADHN CCC[C@H](N)C(=O)NCC1(C(N)=O)CCCC1 ZINC000353664055 387253527 /nfs/dbraw/zinc/25/35/27/387253527.db2.gz NOLKQJAXETTXNW-VIFPVBQESA-N 0 3 241.335 0.276 20 0 BCADHN CO[C@H]1C[C@@H](NCC(=O)NCC2CC2)C1(C)C ZINC000300661759 387237406 /nfs/dbraw/zinc/23/74/06/387237406.db2.gz YFABVQNAPGZWIN-MNOVXSKESA-N 0 3 240.347 0.916 20 0 BCADHN COC(=O)CCCC(=O)N[C@@H](C)CN(C)C ZINC000360183771 387241345 /nfs/dbraw/zinc/24/13/45/387241345.db2.gz GOIINLCWRISDKR-VIFPVBQESA-N 0 3 230.308 0.396 20 0 BCADHN CN(C)C[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2F)CCO1 ZINC000424672666 387244013 /nfs/dbraw/zinc/24/40/13/387244013.db2.gz IYVPXTAVSHODHM-CKYFFXLPSA-N 0 3 244.310 0.524 20 0 BCADHN CC[C@@H](C)N[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000371739854 387244693 /nfs/dbraw/zinc/24/46/93/387244693.db2.gz QLGPCDVCUQRALS-NXEZZACHSA-N 0 3 236.319 0.914 20 0 BCADHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1cn[nH]c1 ZINC000285165905 387245763 /nfs/dbraw/zinc/24/57/63/387245763.db2.gz MTCDSBQRCXYMLT-OYNCUSHFSA-N 0 3 222.292 0.727 20 0 BCADHN C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1cn[nH]c1 ZINC000285000921 387248253 /nfs/dbraw/zinc/24/82/53/387248253.db2.gz GUSREKIPTIOUTK-ATZCPNFKSA-N 0 3 207.277 0.997 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)N(CCO)CC1CC1 ZINC000352484632 387248712 /nfs/dbraw/zinc/24/87/12/387248712.db2.gz RQLWBVJMITWOEQ-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)(C)CCCNC(=O)COC1CNC1 ZINC000572154166 387251386 /nfs/dbraw/zinc/25/13/86/387251386.db2.gz FMXYPEUOESAIOU-UHFFFAOYSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@@H](OCc2ccncc2)C1 ZINC000353665187 387253937 /nfs/dbraw/zinc/25/39/37/387253937.db2.gz RNXDENNUMFDHFV-CMPLNLGQSA-N 0 3 249.314 0.546 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCCC[C@@H]1O ZINC000187399140 387194528 /nfs/dbraw/zinc/19/45/28/387194528.db2.gz AOQSOYULBRQWPO-QWRGUYRKSA-N 0 3 228.336 0.746 20 0 BCADHN CC[C@@](C)(CO)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000571896319 387194905 /nfs/dbraw/zinc/19/49/05/387194905.db2.gz XFFUMOPGHPAZJB-YPMHNXCESA-N 0 3 242.363 0.948 20 0 BCADHN O=C1NCC[C@]12CCCN2CCc1cccnc1 ZINC000571894065 387195645 /nfs/dbraw/zinc/19/56/45/387195645.db2.gz UEZRDORDDINOAH-CQSZACIVSA-N 0 3 245.326 0.979 20 0 BCADHN COC[C@@H](NC(=O)C(N)C(F)(F)F)C1CC1 ZINC000353423272 387199948 /nfs/dbraw/zinc/19/99/48/387199948.db2.gz CVRXXKCQNSLZJP-RQJHMYQMSA-N 0 3 240.225 0.417 20 0 BCADHN O=C1NC[C@H](CN2CC3CCC2CC3)O1 ZINC000371387516 387201718 /nfs/dbraw/zinc/20/17/18/387201718.db2.gz JASXXMCZKQAPBO-UDNWOFFPSA-N 0 3 210.277 0.969 20 0 BCADHN CC[C@@H](CNC(=O)NCCN(C)C)OC ZINC000360579273 387311195 /nfs/dbraw/zinc/31/11/95/387311195.db2.gz BQRPGTLAFFLSBG-VIFPVBQESA-N 0 3 217.313 0.272 20 0 BCADHN c1cnn(CCN2CCOCC3(CC3)C2)c1 ZINC000336486419 387313785 /nfs/dbraw/zinc/31/37/85/387313785.db2.gz CYOOYIVVGUVRFA-UHFFFAOYSA-N 0 3 221.304 0.996 20 0 BCADHN Cc1cnn(CCN2CCC[C@H](CO)C2)c1 ZINC000303093505 387314863 /nfs/dbraw/zinc/31/48/63/387314863.db2.gz PQVZZSJNSDMNJG-LBPRGKRZSA-N 0 3 223.320 0.896 20 0 BCADHN CCN1C[C@H](N[C@H]2CNCCC2(F)F)[C@@H](C)C1 ZINC000423467328 387314837 /nfs/dbraw/zinc/31/48/37/387314837.db2.gz DQICVUHWZGEZHE-DCAQKATOSA-N 0 3 247.333 0.913 20 0 BCADHN Cc1ccncc1CNCCC(=O)NC(N)=O ZINC000514933131 387315861 /nfs/dbraw/zinc/31/58/61/387315861.db2.gz PPESFCPXYLZVBV-UHFFFAOYSA-N 0 3 236.275 0.065 20 0 BCADHN CCCCN(C)CCNS(=O)(=O)C1CC1 ZINC000360279643 387255537 /nfs/dbraw/zinc/25/55/37/387255537.db2.gz YFMBMZRFYIIAIE-UHFFFAOYSA-N 0 3 234.365 0.800 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1CCC[C@H](C2CC2)C1 ZINC000336428021 387257295 /nfs/dbraw/zinc/25/72/95/387257295.db2.gz AUSCUWMFSCUGQC-WPRPVWTQSA-N 0 3 239.319 0.692 20 0 BCADHN CC[C@H](CCO)NC(=O)N[C@@H](C)CN(C)C ZINC000353720677 387257888 /nfs/dbraw/zinc/25/78/88/387257888.db2.gz CSRGSURKGMWLOY-VHSXEESVSA-N 0 3 231.340 0.397 20 0 BCADHN CCN(CCNC(=O)NCC[C@@H](C)O)C1CC1 ZINC000114828073 387259959 /nfs/dbraw/zinc/25/99/59/387259959.db2.gz JRBMZERIYQMJNP-SNVBAGLBSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000353696527 387260363 /nfs/dbraw/zinc/26/03/63/387260363.db2.gz CLSHARPGQOTILZ-AEJSXWLSSA-N 0 3 241.335 0.097 20 0 BCADHN CCN(CCOC)C[C@H](O)COCC(C)C ZINC000353696942 387260944 /nfs/dbraw/zinc/26/09/44/387260944.db2.gz CYOAIDTWYVREKC-LBPRGKRZSA-N 0 3 233.352 0.988 20 0 BCADHN Cc1c(CNC[C@@H]2CC[C@H](CO)O2)cnn1C ZINC000353715169 387262836 /nfs/dbraw/zinc/26/28/36/387262836.db2.gz XKPDIWHMVQQIFS-NWDGAFQWSA-N 0 3 239.319 0.358 20 0 BCADHN CO[C@H](C)CCC(=O)NC[C@H](C)N(C)C ZINC000360321427 387264498 /nfs/dbraw/zinc/26/44/98/387264498.db2.gz YKDHGKYIZVQCLK-VHSXEESVSA-N 0 3 216.325 0.868 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000353727310 387265273 /nfs/dbraw/zinc/26/52/73/387265273.db2.gz UNTUBNWZTZDPHY-JLIMGVALSA-N 0 3 226.320 0.653 20 0 BCADHN CCOC(=O)COCCN1CC[C@H](C)[C@@H](O)C1 ZINC000230265726 387265705 /nfs/dbraw/zinc/26/57/05/387265705.db2.gz YJJLPJYDPABBMQ-QWRGUYRKSA-N 0 3 245.319 0.269 20 0 BCADHN CO[C@](C)(C(=O)N(C)CCN(C)C)C1CC1 ZINC000360335103 387265960 /nfs/dbraw/zinc/26/59/60/387265960.db2.gz QFMPPABKSNYFAX-LBPRGKRZSA-N 0 3 228.336 0.822 20 0 BCADHN CCCCN(C)CCNC(=O)NCC[C@H](C)O ZINC000114831791 387266974 /nfs/dbraw/zinc/26/69/74/387266974.db2.gz SYZDLFNFKXPLNU-NSHDSACASA-N 0 3 245.367 0.788 20 0 BCADHN CN(C)c1cccc(CNC(=O)C2(N)CC2)n1 ZINC000353752495 387270589 /nfs/dbraw/zinc/27/05/89/387270589.db2.gz GZBNVBZOJAJEGV-UHFFFAOYSA-N 0 3 234.303 0.255 20 0 BCADHN Cc1cnn(C)c1CNCCNC(=O)C(C)C ZINC000285553854 387272044 /nfs/dbraw/zinc/27/20/44/387272044.db2.gz UXCRNMWBXQZJMO-UHFFFAOYSA-N 0 3 238.335 0.590 20 0 BCADHN [NH3+]CCOCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000645689971 387276321 /nfs/dbraw/zinc/27/63/21/387276321.db2.gz YPAQDWVJXHDYJV-UHFFFAOYSA-N 0 3 244.678 0.959 20 0 BCADHN CC(C)OC[C@@H](O)CN1CC[C@@](C)(O)C1 ZINC000226271176 387278491 /nfs/dbraw/zinc/27/84/91/387278491.db2.gz BPEXROSWHCKBFL-WDEREUQCSA-N 0 3 217.309 0.229 20 0 BCADHN COC(=O)[C@@H](CF)NC(=O)[C@H](C(C)C)N(C)C ZINC000360464215 387290441 /nfs/dbraw/zinc/29/04/41/387290441.db2.gz USXIMCRDWMGRCI-BDAKNGLRSA-N 0 3 248.298 0.200 20 0 BCADHN C[C@@H]1C[C@H](C(=O)NCCN(C)C2CC2)CO1 ZINC000352528996 387291331 /nfs/dbraw/zinc/29/13/31/387291331.db2.gz AJMMUKSXOKNQSL-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN O=C(CN1CC[C@H](C2CC2)C1)NC1CC1 ZINC000372330985 387292039 /nfs/dbraw/zinc/29/20/39/387292039.db2.gz HLHPFQMFECRRET-JTQLQIEISA-N 0 3 208.305 0.997 20 0 BCADHN CC(C)OCCCN1CC[C@H](CO)[C@H](O)C1 ZINC000514829607 387292258 /nfs/dbraw/zinc/29/22/58/387292258.db2.gz IJROZIVROUEQAC-VXGBXAGGSA-N 0 3 231.336 0.477 20 0 BCADHN Cn1nncc1CN[C@@]1(C)CCO[C@H]1C1CC1 ZINC000372343649 387293924 /nfs/dbraw/zinc/29/39/24/387293924.db2.gz BMZBZMVEZDCBNS-RYUDHWBXSA-N 0 3 236.319 0.862 20 0 BCADHN CCN(CC)C(=O)CN(C[C@@H](C)O)C(C)C ZINC000078551519 387296020 /nfs/dbraw/zinc/29/60/20/387296020.db2.gz GHKNVCZCKRRCDQ-LLVKDONJSA-N 0 3 230.352 0.946 20 0 BCADHN C[C@H](Cc1ccncc1)NC(=O)CNC1CC1 ZINC000514861109 387297842 /nfs/dbraw/zinc/29/78/42/387297842.db2.gz QFACZWVOWAYEHS-SNVBAGLBSA-N 0 3 233.315 0.881 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)N1CCCCO1 ZINC000514850126 387298052 /nfs/dbraw/zinc/29/80/52/387298052.db2.gz FRZGHQVHFYTSDU-MRVPVSSYSA-N 0 3 249.261 0.721 20 0 BCADHN CCO[C@@H]1C[C@H](NC[C@@H](O)CSC)[C@H]1OC ZINC000514857091 387298206 /nfs/dbraw/zinc/29/82/06/387298206.db2.gz WONFOMCVNSFGPS-LMLFDSFASA-N 0 3 249.376 0.492 20 0 BCADHN Cc1cnccc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000353919237 387298277 /nfs/dbraw/zinc/29/82/77/387298277.db2.gz YQVNFGOJRSBGRW-ZDUSSCGKSA-N 0 3 249.314 0.186 20 0 BCADHN CC(C)(C)C[N@@H+]1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000372434392 387301392 /nfs/dbraw/zinc/30/13/92/387301392.db2.gz BDBMOFGNUUFJAK-LLVKDONJSA-N 0 3 225.292 0.316 20 0 BCADHN CC(C)(C)C[N@H+]1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000372434392 387301399 /nfs/dbraw/zinc/30/13/99/387301399.db2.gz BDBMOFGNUUFJAK-LLVKDONJSA-N 0 3 225.292 0.316 20 0 BCADHN CCN(C)CCNC(=O)Cc1ccoc1 ZINC000121109875 387302147 /nfs/dbraw/zinc/30/21/47/387302147.db2.gz FPGFHJYCYCYPKD-UHFFFAOYSA-N 0 3 210.277 0.890 20 0 BCADHN Cc1cc(CCN[C@H](C)CC(=O)N(C)C)on1 ZINC000353970210 387304516 /nfs/dbraw/zinc/30/45/16/387304516.db2.gz DJUAUIDVVJYKMH-SECBINFHSA-N 0 3 239.319 0.982 20 0 BCADHN O=C1CCN(CN[C@@H]2CCc3nccn3C2)CC1 ZINC000372469600 387307130 /nfs/dbraw/zinc/30/71/30/387307130.db2.gz ZBHQCGLIATVNGY-LLVKDONJSA-N 0 3 248.330 0.410 20 0 BCADHN CCc1ncc(NC(=O)[C@H]2CCN2)cn1 ZINC000514931799 387308058 /nfs/dbraw/zinc/30/80/58/387308058.db2.gz FKAOZMSIZVRPGU-MRVPVSSYSA-N 0 3 206.249 0.339 20 0 BCADHN CCN1CC[C@H](N[C@@H]2CSC[C@H]2C)C1=O ZINC000648574813 387355201 /nfs/dbraw/zinc/35/52/01/387355201.db2.gz HZCLZRMVHFOAQJ-KXUCPTDWSA-N 0 3 228.361 0.948 20 0 BCADHN CCc1ncc(NC(=O)[C@@H](N)CC(F)F)cn1 ZINC000515299109 387361025 /nfs/dbraw/zinc/36/10/25/387361025.db2.gz LVKYDLQSTSIZIP-ZETCQYMHSA-N 0 3 244.245 0.960 20 0 BCADHN CC1(C)[C@@H](O)C[C@@H]1NCc1cc(=O)c(O)co1 ZINC000515308452 387363016 /nfs/dbraw/zinc/36/30/16/387363016.db2.gz LWBVHBSVRRALDI-QWRGUYRKSA-N 0 3 239.271 0.594 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000373406289 387364846 /nfs/dbraw/zinc/36/48/46/387364846.db2.gz IPEGNGKVUPUBFS-GXSJLCMTSA-N 0 3 212.293 0.091 20 0 BCADHN CN1CCC(CC(=O)N2CCCO2)CC1 ZINC000336545056 387368364 /nfs/dbraw/zinc/36/83/64/387368364.db2.gz VFYUAUXJOJJKLT-UHFFFAOYSA-N 0 3 212.293 0.882 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCc2nn(C)c(=O)cc2C1 ZINC000336544699 387368879 /nfs/dbraw/zinc/36/88/79/387368879.db2.gz APVUADRZGFVSLP-ZJUUUORDSA-N 0 3 233.315 0.794 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000336549382 387369695 /nfs/dbraw/zinc/36/96/95/387369695.db2.gz QLLMNJKBMXPYSB-MNOVXSKESA-N 0 3 228.336 0.556 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cn(C)nc1C(F)F ZINC000360964319 387374238 /nfs/dbraw/zinc/37/42/38/387374238.db2.gz PRAILRLUNAVPES-LURJTMIESA-N 0 3 246.261 0.711 20 0 BCADHN O=C1CCCN1[C@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000336553732 387374974 /nfs/dbraw/zinc/37/49/74/387374974.db2.gz DIVMTQOGTJKDQA-RYUDHWBXSA-N 0 3 238.331 0.862 20 0 BCADHN CCN(CCNC(=O)[C@@](C)(CC)CO)C1CC1 ZINC000515387900 387375081 /nfs/dbraw/zinc/37/50/81/387375081.db2.gz LPIHADDACKUOQP-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)[C@@H]1C(=O)NCCN1C[C@H]1CCCOC1 ZINC000336555017 387378515 /nfs/dbraw/zinc/37/85/15/387378515.db2.gz CMSKWXVPWJJTGK-VXGBXAGGSA-N 0 3 240.347 0.869 20 0 BCADHN Cn1nccc1C(=O)NCCNc1ccncc1 ZINC000354449672 387379314 /nfs/dbraw/zinc/37/93/14/387379314.db2.gz RAMYYAACSTZTLR-UHFFFAOYSA-N 0 3 245.286 0.079 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1cc(C)nc(C)c1 ZINC000515416919 387379337 /nfs/dbraw/zinc/37/93/37/387379337.db2.gz SHPGBDJXJOWZGW-NSHDSACASA-N 0 3 237.303 0.288 20 0 BCADHN C[C@@]1(O)CCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000336558631 387382311 /nfs/dbraw/zinc/38/23/11/387382311.db2.gz KKDNDNLKHMLILV-ZYHUDNBSSA-N 0 3 224.304 0.206 20 0 BCADHN O=C1NCCC[C@@H]1N1CC[C@@]2(CCOC2)C1 ZINC000336558584 387382470 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387432547 /nfs/dbraw/zinc/43/25/47/387432547.db2.gz YKWPTUTXFFIJKW-UHFFFAOYSA-N 0 3 236.262 0.479 20 0 BCADHN COCCOC[C@H](C)NC(=O)[C@H](C)NC1CC1 ZINC000515839897 387433219 /nfs/dbraw/zinc/43/32/19/387433219.db2.gz ZELKESRWKGXGCV-UWVGGRQHSA-N 0 3 244.335 0.295 20 0 BCADHN CC[C@H](N)C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000423845957 387433252 /nfs/dbraw/zinc/43/32/52/387433252.db2.gz KVTOKLMUWOOBRU-IUCAKERBSA-N 0 3 243.351 0.485 20 0 BCADHN C[C@@H](O)C1CCN(CCN2CCCC2=O)CC1 ZINC000304073659 387433336 /nfs/dbraw/zinc/43/33/36/387433336.db2.gz WGNFFTIDZKHFIC-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@](CC)(C(N)=O)C(C)C ZINC000423849351 387435101 /nfs/dbraw/zinc/43/51/01/387435101.db2.gz SLEVQQMVOANGMR-BXKDBHETSA-N 0 3 243.351 0.520 20 0 BCADHN CCC[C@H](N)C(=O)N1C[C@H](C)O[C@H](COC)C1 ZINC000423828947 387435478 /nfs/dbraw/zinc/43/54/78/387435478.db2.gz OMEUBNAIOLCVDI-DCAQKATOSA-N 0 3 244.335 0.376 20 0 BCADHN COC(=O)C1(CNC(=O)[C@H](C)N)CCCCC1 ZINC000423831124 387435567 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/nfs/dbraw/zinc/43/78/89/387437889.db2.gz SHRWWCQXJIVJCQ-UHFFFAOYSA-N 0 3 249.318 0.753 20 0 BCADHN C[C@H]1OCCN(CCN2CCCOCC2)[C@H]1C ZINC000361318537 387438697 /nfs/dbraw/zinc/43/86/97/387438697.db2.gz MZYGOGPDCDWIEQ-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H](O)CCCN1CCC[C@H]1C(=O)NC1CC1 ZINC000354860187 387438660 /nfs/dbraw/zinc/43/86/60/387438660.db2.gz PDUOXMYSAFTMDQ-JQWIXIFHSA-N 0 3 240.347 0.890 20 0 BCADHN CN(CCO)C[C@@H](O)C1CCCCC1 ZINC000354858537 387438985 /nfs/dbraw/zinc/43/89/85/387438985.db2.gz KPXJMMUKIGRXBH-LLVKDONJSA-N 0 3 201.310 0.852 20 0 BCADHN FC(F)Cn1cc(CNCCN2CCC2)cn1 ZINC000352697162 387439207 /nfs/dbraw/zinc/43/92/07/387439207.db2.gz YEIPZPXCRDVTHV-UHFFFAOYSA-N 0 3 244.289 0.944 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](C)O)N(CC)CC ZINC000352692238 387439382 /nfs/dbraw/zinc/43/93/82/387439382.db2.gz FQUZLIIZVXXVMZ-ZJUUUORDSA-N 0 3 216.325 0.604 20 0 BCADHN CC(C)CO[C@@H]1CCN([C@H]2COC[C@H]2O)C1 ZINC000361318279 387439585 /nfs/dbraw/zinc/43/95/85/387439585.db2.gz JSGGEYNQTKARDJ-GRYCIOLGSA-N 0 3 229.320 0.493 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@@H](N)C(C)(C)C ZINC000423861291 387440210 /nfs/dbraw/zinc/44/02/10/387440210.db2.gz CCUHEYGGQORFQJ-GARJFASQSA-N 0 3 242.363 0.979 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@H]1C[C@H](F)CN1 ZINC000423866594 387440540 /nfs/dbraw/zinc/44/05/40/387440540.db2.gz LXTYWVVLFPHWCQ-MMWGEVLESA-N 0 3 244.310 0.306 20 0 BCADHN CCOCC[C@@H](O)CN1CCN(CC)C[C@H]1C ZINC000352697282 387440692 /nfs/dbraw/zinc/44/06/92/387440692.db2.gz KRNGJZIPMZEWOT-CHWSQXEVSA-N 0 3 244.379 0.800 20 0 BCADHN CCOCC[C@@H](O)CN1CCC[C@@H](O)C1 ZINC000331236387 387440763 /nfs/dbraw/zinc/44/07/63/387440763.db2.gz KPIIMMUSWPDDJX-GHMZBOCLSA-N 0 3 217.309 0.231 20 0 BCADHN CCCN(C(=O)COC1CNC1)C1CC1 ZINC000423876673 387442568 /nfs/dbraw/zinc/44/25/68/387442568.db2.gz OBZBNHADCUFLID-UHFFFAOYSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@H](CN(C)[C@@H]1COC[C@H]1O)c1nccs1 ZINC000361333477 387442763 /nfs/dbraw/zinc/44/27/63/387442763.db2.gz AXWLBJXPQGJEIA-OPRDCNLKSA-N 0 3 242.344 0.938 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000423871095 387442871 /nfs/dbraw/zinc/44/28/71/387442871.db2.gz KEFGMDUFZDAYDN-OPRDCNLKSA-N 0 3 228.336 0.589 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000423871091 387442946 /nfs/dbraw/zinc/44/29/46/387442946.db2.gz KEFGMDUFZDAYDN-GUBZILKMSA-N 0 3 228.336 0.589 20 0 BCADHN CC[C@H]1CN(CCN2CCCOCC2)C[C@@H]1O ZINC000361349198 387444143 /nfs/dbraw/zinc/44/41/43/387444143.db2.gz SIXWFGKDACGBHD-STQMWFEESA-N 0 3 242.363 0.411 20 0 BCADHN CC(C)(C)[C@@H]1CCN([C@@H]2COC[C@@H]2O)C[C@@H]1O ZINC000361348090 387444608 /nfs/dbraw/zinc/44/46/08/387444608.db2.gz HBFZFCGTXHJGMO-WYUUTHIRSA-N 0 3 243.347 0.475 20 0 BCADHN CCO[C@H](CNC(=O)CN)c1ccccc1 ZINC000423896200 387445750 /nfs/dbraw/zinc/44/57/50/387445750.db2.gz CUJLJUNSUODUPT-LLVKDONJSA-N 0 3 222.288 0.839 20 0 BCADHN CCC[C@H](N)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000423893729 387445834 /nfs/dbraw/zinc/44/58/34/387445834.db2.gz ATDBXJKZAYBNOQ-SRVKXCTJSA-N 0 3 239.363 0.666 20 0 BCADHN CO[C@H](CN)C(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000423890508 387447149 /nfs/dbraw/zinc/44/71/49/387447149.db2.gz ZCKUPNBZJLVNKL-LOWVWBTDSA-N 0 3 240.347 0.999 20 0 BCADHN CCCN[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)CC ZINC000423917332 387449462 /nfs/dbraw/zinc/44/94/62/387449462.db2.gz JQWZARQHCBTMQM-ZJUUUORDSA-N 0 3 243.351 0.358 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H](C)[C@@H](C)OC ZINC000423915573 387449554 /nfs/dbraw/zinc/44/95/54/387449554.db2.gz AVFIIQZXTDTOHR-YIZRAAEISA-N 0 3 202.298 0.653 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000423920052 387450400 /nfs/dbraw/zinc/45/04/00/387450400.db2.gz GAXAPLKKCIGOIA-LMLFDSFASA-N 0 3 228.336 0.914 20 0 BCADHN CN(CCc1ccncc1)[C@H]1COC[C@@H]1O ZINC000304239667 387450961 /nfs/dbraw/zinc/45/09/61/387450961.db2.gz NJUQUBNRZQYIGH-RYUDHWBXSA-N 0 3 222.288 0.316 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)[C@H](C)OC ZINC000423920041 387451661 /nfs/dbraw/zinc/45/16/61/387451661.db2.gz FZWLUXRUYMTJBK-AATLWQCWSA-N 0 3 216.325 0.899 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1C(=O)CNC1CC1 ZINC000516048781 387452238 /nfs/dbraw/zinc/45/22/38/387452238.db2.gz ODIQNCSJAVQUPK-GFCCVEGCSA-N 0 3 239.363 0.537 20 0 BCADHN CO[C@H](CN)C(=O)N(CC1CCC1)C(C)C ZINC000423931280 387453198 /nfs/dbraw/zinc/45/31/98/387453198.db2.gz PUWVQHQMQHZHOL-LLVKDONJSA-N 0 3 228.336 0.997 20 0 BCADHN Cc1cnn(C)c1CN[C@H](CO)[C@@H]1CCCO1 ZINC000352710313 387453331 /nfs/dbraw/zinc/45/33/31/387453331.db2.gz IVUWMMIOGYNUEN-PWSUYJOCSA-N 0 3 239.319 0.358 20 0 BCADHN Cc1cnn(CCN(C)CCOCCO)c1 ZINC000304266208 387455340 /nfs/dbraw/zinc/45/53/40/387455340.db2.gz UVEILIDUFXUCSX-UHFFFAOYSA-N 0 3 227.308 0.132 20 0 BCADHN CN(CC1CC1)C(=O)CN1CC[C@@H](O)C1(C)C ZINC000361406553 387456747 /nfs/dbraw/zinc/45/67/47/387456747.db2.gz ABDXUOIAURDVBZ-LLVKDONJSA-N 0 3 240.347 0.700 20 0 BCADHN CCc1cccc(OCCNC(CO)CO)c1 ZINC000516083344 387458451 /nfs/dbraw/zinc/45/84/51/387458451.db2.gz SIFPRCUTAVJKFP-UHFFFAOYSA-N 0 3 239.315 0.571 20 0 BCADHN CCC[C@H](C(=O)N1CCN(C)C[C@H]1C)N(C)C ZINC000354524221 387389824 /nfs/dbraw/zinc/38/98/24/387389824.db2.gz WUVMGYXCJVTUPW-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN O=C(CN1C[C@@H]2CCC[C@@H]2C1)N1CCC1 ZINC000336564470 387391893 /nfs/dbraw/zinc/39/18/93/387391893.db2.gz BRCSOWXDKGVEBE-PHIMTYICSA-N 0 3 208.305 0.951 20 0 BCADHN C[C@H](CCC[NH3+])NC(=O)c1ccc2n[n-]nc2c1 ZINC000423671128 387394074 /nfs/dbraw/zinc/39/40/74/387394074.db2.gz VWPOJBKWMZHVPO-MRVPVSSYSA-N 0 3 247.302 0.815 20 0 BCADHN CCCCNC(=O)CN1CCC[C@@H]1CCO ZINC000303742170 387394534 /nfs/dbraw/zinc/39/45/34/387394534.db2.gz OKILAOGSDNAUFV-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN Cc1cnn(CCN2CC[C@@H](O)[C@H](C)C2)c1 ZINC000303740568 387394548 /nfs/dbraw/zinc/39/45/48/387394548.db2.gz BDUFDWYPTTWYQR-VXGBXAGGSA-N 0 3 223.320 0.894 20 0 BCADHN CCCCN(C)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000423684563 387397195 /nfs/dbraw/zinc/39/71/95/387397195.db2.gz USIUWLGLIWHXQU-SNVBAGLBSA-N 0 3 241.335 0.195 20 0 BCADHN CO[C@H](C[NH3+])C(=O)Nc1ccc(Cl)cc1[O-] ZINC000423710530 387401051 /nfs/dbraw/zinc/40/10/51/387401051.db2.gz LDRPMFYYLKYYOF-SECBINFHSA-N 0 3 244.678 0.958 20 0 BCADHN C[C@H](O)COC(=O)CCN1CCCO[C@@H](C)C1 ZINC000373862934 387401313 /nfs/dbraw/zinc/40/13/13/387401313.db2.gz NKJIVXVNHWUHKH-QWRGUYRKSA-N 0 3 245.319 0.411 20 0 BCADHN CC[C@@H](C)CN(C)C(=O)C(=O)N(C)[C@@H](C)CN ZINC000423722779 387402787 /nfs/dbraw/zinc/40/27/87/387402787.db2.gz QAFTZASUXLAQHQ-ZJUUUORDSA-N 0 3 243.351 0.297 20 0 BCADHN CC(C)[C@@H](O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000352635269 387403694 /nfs/dbraw/zinc/40/36/94/387403694.db2.gz CBVYQMJKKPSTTM-MWLCHTKSSA-N 0 3 228.336 0.602 20 0 BCADHN CCCC[C@@H](N)C(=O)NCc1ccc(=O)[nH]c1 ZINC000083364870 387403980 /nfs/dbraw/zinc/40/39/80/387403980.db2.gz PKNGSCOYCKNKTK-SNVBAGLBSA-N 0 3 237.303 0.509 20 0 BCADHN COC[C@H](C)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000354619497 387404658 /nfs/dbraw/zinc/40/46/58/387404658.db2.gz HXNLHYMXPRBCFD-UWVGGRQHSA-N 0 3 243.351 0.803 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)COC(F)F ZINC000352644482 387404905 /nfs/dbraw/zinc/40/49/05/387404905.db2.gz PQORWWMOJOJZGQ-QMMMGPOBSA-N 0 3 236.262 0.778 20 0 BCADHN COc1cc(CNC(=O)C(C)(C)N)ccc1O ZINC000083365760 387405017 /nfs/dbraw/zinc/40/50/17/387405017.db2.gz GHOZLKHLJCLFEM-UHFFFAOYSA-N 0 3 238.287 0.754 20 0 BCADHN C[C@H]1[C@H](NC(=O)COC(F)F)CCCN1C ZINC000354622577 387405025 /nfs/dbraw/zinc/40/50/25/387405025.db2.gz ZJWFRTOLZITKJC-JGVFFNPUSA-N 0 3 236.262 0.825 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H](O)C1(C)C ZINC000361150260 387405980 /nfs/dbraw/zinc/40/59/80/387405980.db2.gz PJRUZIMDRGPGMY-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)C1)N(C)C1CC1 ZINC000572407349 387406449 /nfs/dbraw/zinc/40/64/49/387406449.db2.gz JVFCLOWUNISHIC-VHSXEESVSA-N 0 3 238.331 0.955 20 0 BCADHN CCN(C)C(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN ZINC000423741803 387406845 /nfs/dbraw/zinc/40/68/45/387406845.db2.gz TXLOTDGVGLNGNY-ZJUUUORDSA-N 0 3 241.335 0.051 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)C1)N(C)C1CC1 ZINC000572407348 387407319 /nfs/dbraw/zinc/40/73/19/387407319.db2.gz JVFCLOWUNISHIC-UWVGGRQHSA-N 0 3 238.331 0.955 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@H]1CCCCN1 ZINC000423743890 387407522 /nfs/dbraw/zinc/40/75/22/387407522.db2.gz NDNXUVPTKVDWNS-SECBINFHSA-N 0 3 228.292 0.150 20 0 BCADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000423750875 387409803 /nfs/dbraw/zinc/40/98/03/387409803.db2.gz AKCZJQGOXQUWPH-WHFBIAKZSA-N 0 3 240.263 0.118 20 0 BCADHN CCC[C@H](N)C(=O)N1CCC[C@@H]1C(=O)OCC ZINC000423755331 387411317 /nfs/dbraw/zinc/41/13/17/387411317.db2.gz HKPPQFMCBDLZKM-VHSXEESVSA-N 0 3 242.319 0.668 20 0 BCADHN CN(C)c1cccc(NC(=O)[C@H]2CCN2)n1 ZINC000423759205 387413252 /nfs/dbraw/zinc/41/32/52/387413252.db2.gz HAWFEFVQTKFQND-MRVPVSSYSA-N 0 3 220.276 0.448 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)[C@H](N)C(C)C ZINC000423759559 387413524 /nfs/dbraw/zinc/41/35/24/387413524.db2.gz IBQPOYHRMVVWEP-OPRDCNLKSA-N 0 3 244.335 0.674 20 0 BCADHN CC[C@H](N)C(=O)Nc1cccc(N(C)C)n1 ZINC000423760710 387414148 /nfs/dbraw/zinc/41/41/48/387414148.db2.gz KCAGLJDZSFWFSS-QMMMGPOBSA-N 0 3 222.292 0.823 20 0 BCADHN O=C(CN1CCCC[C@H](CO)C1)NC1CC1 ZINC000374048291 387414390 /nfs/dbraw/zinc/41/43/90/387414390.db2.gz FEZBUJJPGIWVQO-JTQLQIEISA-N 0 3 226.320 0.359 20 0 BCADHN O=C(CN1CCCC[C@@H](CO)C1)NC1CC1 ZINC000374048292 387414531 /nfs/dbraw/zinc/41/45/31/387414531.db2.gz FEZBUJJPGIWVQO-SNVBAGLBSA-N 0 3 226.320 0.359 20 0 BCADHN CC[C@](C)(NCCc1ccnn1C)C(N)=O ZINC000304317269 387460984 /nfs/dbraw/zinc/46/09/84/387460984.db2.gz LJXJKFFUQRSOLN-NSHDSACASA-N 0 3 224.308 0.206 20 0 BCADHN CC(C)(C)NC(=O)CN1CCCC[C@@H](CO)C1 ZINC000374049606 387415214 /nfs/dbraw/zinc/41/52/14/387415214.db2.gz JFBXTPIWAOQVPJ-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN O=C(CN1CCCC[C@@H](CO)C1)N1CCC1 ZINC000374041166 387415426 /nfs/dbraw/zinc/41/54/26/387415426.db2.gz XYOXCLSPWGVNQC-LLVKDONJSA-N 0 3 226.320 0.313 20 0 BCADHN CC[C@@H](C(N)=O)N1CCCC[C@H](CO)C1 ZINC000374053306 387415610 /nfs/dbraw/zinc/41/56/10/387415610.db2.gz XWQOLVHYDVAZRP-UWVGGRQHSA-N 0 3 214.309 0.345 20 0 BCADHN CC(C)[C@H](C[NH3+])C(=O)NCc1ncccc1[O-] ZINC000423764132 387415832 /nfs/dbraw/zinc/41/58/32/387415832.db2.gz WUIHJXKAJGBZNR-VIFPVBQESA-N 0 3 237.303 0.634 20 0 BCADHN CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ncccc1[O-] ZINC000423762897 387415852 /nfs/dbraw/zinc/41/58/52/387415852.db2.gz VGNGSHRDVXTQTM-KCJUWKMLSA-N 0 3 237.303 0.777 20 0 BCADHN CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ncccc1[O-] ZINC000423762900 387415916 /nfs/dbraw/zinc/41/59/16/387415916.db2.gz VGNGSHRDVXTQTM-LDYMZIIASA-N 0 3 237.303 0.777 20 0 BCADHN CC[C@]1(O)CCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000336592135 387415937 /nfs/dbraw/zinc/41/59/37/387415937.db2.gz KHTARXSBPIWLAR-YPMHNXCESA-N 0 3 238.331 0.597 20 0 BCADHN CCOC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CC ZINC000423762746 387416011 /nfs/dbraw/zinc/41/60/11/387416011.db2.gz UTTHZQNUPJXTKC-DTWKUNHWSA-N 0 3 228.292 0.278 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000423763181 387416546 /nfs/dbraw/zinc/41/65/46/387416546.db2.gz PHAXAQJXFURBNV-IVZWLZJFSA-N 0 3 243.351 0.247 20 0 BCADHN COC[C@H](C)NCc1ccc(C(=O)N(C)C)[nH]1 ZINC000354692433 387416739 /nfs/dbraw/zinc/41/67/39/387416739.db2.gz GTCPDKVCHRYCFS-VIFPVBQESA-N 0 3 239.319 0.841 20 0 BCADHN CCN(C(=O)C(C)S(C)(=O)=O)[C@H]1CCOC1 ZINC000361200850 387416805 /nfs/dbraw/zinc/41/68/05/387416805.db2.gz MMOZOEYVILRNPG-BDAKNGLRSA-N 0 3 249.332 0.057 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc(N(C)C)n1 ZINC000423764632 387416925 /nfs/dbraw/zinc/41/69/25/387416925.db2.gz SGBUCIYTPWCCLI-ZETCQYMHSA-N 0 3 208.265 0.433 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@H](C(=O)NC)C(C)C ZINC000423767344 387418368 /nfs/dbraw/zinc/41/83/68/387418368.db2.gz WXIGGEJRZVAVSK-ZJUUUORDSA-N 0 3 243.351 0.391 20 0 BCADHN C[C@@H](O)[C@@H]1CCCCN1CCN1CCCC1=O ZINC000303980815 387420395 /nfs/dbraw/zinc/42/03/95/387420395.db2.gz FKNPCDURGDXCJX-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)[C@@H]1CC1(C)C ZINC000423771153 387420626 /nfs/dbraw/zinc/42/06/26/387420626.db2.gz HYWIKSDWAYFHNM-JGVFFNPUSA-N 0 3 200.282 0.217 20 0 BCADHN Cc1cc(CNCCc2nnnn2C)cs1 ZINC000648493262 387420713 /nfs/dbraw/zinc/42/07/13/387420713.db2.gz ZAMKUEWMKAUMTJ-UHFFFAOYSA-N 0 3 237.332 0.912 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N(C)[C@H]1CC1(C)C ZINC000423770555 387420952 /nfs/dbraw/zinc/42/09/52/387420952.db2.gz GTYBXOXCFZKPEL-IUCAKERBSA-N 0 3 242.319 0.524 20 0 BCADHN COCCNCC(=O)N[C@H]1CCCC[C@@H]1OC ZINC000423770831 387421027 /nfs/dbraw/zinc/42/10/27/387421027.db2.gz HGPKUIYYNRFZLM-QWRGUYRKSA-N 0 3 244.335 0.296 20 0 BCADHN CCCC(=O)N1CCCN(C[C@H](C)O)CC1 ZINC000374111971 387421557 /nfs/dbraw/zinc/42/15/57/387421557.db2.gz GGIRPTXAOVZHDK-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN O=C([C@H]1CCN1)N1CCn2c3ccccc3nc21 ZINC000336597573 387421793 /nfs/dbraw/zinc/42/17/93/387421793.db2.gz SFXUFXXMFVXDQI-SNVBAGLBSA-N 0 3 242.282 0.745 20 0 BCADHN CCS(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000193561911 387498393 /nfs/dbraw/zinc/49/83/93/387498393.db2.gz MVMBQPNOQULVGF-UHFFFAOYSA-N 0 3 246.376 0.800 20 0 BCADHN C[C@@H]1OCC[C@@H]1N(CCO)CCn1cccn1 ZINC000361575831 387498951 /nfs/dbraw/zinc/49/89/51/387498951.db2.gz DCZVHALFWINWHJ-RYUDHWBXSA-N 0 3 239.319 0.355 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1C[C@@H]1N)Oc1ccccc1 ZINC000424096041 387499757 /nfs/dbraw/zinc/49/97/57/387499757.db2.gz YOIKKHRMYNQBSS-WCQGTBRESA-N 0 3 234.299 0.917 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cccc(C(N)=O)c1 ZINC000040854384 387500660 /nfs/dbraw/zinc/50/06/60/387500660.db2.gz YDEQVJGDIYYONY-SECBINFHSA-N 0 3 221.260 0.461 20 0 BCADHN Cc1c[nH]nc1CN[C@H]1CCC[C@H](C(N)=O)C1 ZINC000352809082 387501715 /nfs/dbraw/zinc/50/17/15/387501715.db2.gz FSCKYLNZYAEKQO-UWVGGRQHSA-N 0 3 236.319 0.852 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1NCC1(C)C)c1ncon1 ZINC000648110440 387503637 /nfs/dbraw/zinc/50/36/37/387503637.db2.gz KJLSMKDSSOTROB-RQJHMYQMSA-N 0 3 224.264 0.245 20 0 BCADHN CSC[C@H](O)CN(CCO)[C@@H]1CCO[C@@H]1C ZINC000361588404 387504604 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Cc1n[nH]c(C)c1CNC[C@@H](O)[C@@H]1CCCO1 ZINC000527756941 387695946 /nfs/dbraw/zinc/69/59/46/387695946.db2.gz HKESHKKPLZMZGH-NEPJUHHUSA-N 0 3 239.319 0.656 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)c1cccnn1 ZINC000527716431 387672029 /nfs/dbraw/zinc/67/20/29/387672029.db2.gz KGWNTRQEQAWDGL-JTQLQIEISA-N 0 3 234.303 0.691 20 0 BCADHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CN)C1 ZINC000431062285 387674339 /nfs/dbraw/zinc/67/43/39/387674339.db2.gz OWVPERCRURIVJY-WCQYABFASA-N 0 3 247.342 0.897 20 0 BCADHN O=C(COC1CNC1)Nc1cccc2[nH]cnc21 ZINC000431064435 387675798 /nfs/dbraw/zinc/67/57/98/387675798.db2.gz JHMOCDRMOCASDM-UHFFFAOYSA-N 0 3 246.270 0.490 20 0 BCADHN O[C@@H](COCC(F)(F)F)CN1CCC1 ZINC000431133167 387677609 /nfs/dbraw/zinc/67/76/09/387677609.db2.gz ADZOOFSUZUQHAO-SSDOTTSWSA-N 0 3 213.199 0.632 20 0 BCADHN CC[C@@H](CO)NC(=O)CC1CCN(C)CC1 ZINC000362972224 387681751 /nfs/dbraw/zinc/68/17/51/387681751.db2.gz JOXUYXXGDUIUCX-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H]([NH3+])CCNC(=O)c1ccc2n[n-]nc2c1 ZINC000422782771 387681898 /nfs/dbraw/zinc/68/18/98/387681898.db2.gz MFXDUMUEYARTFJ-SSDOTTSWSA-N 0 3 233.275 0.425 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@H](O)COC(C)C ZINC000451942232 387683289 /nfs/dbraw/zinc/68/32/89/387683289.db2.gz CXIQXVTWCGNKBI-QJPTWQEYSA-N 0 3 247.335 0.166 20 0 BCADHN CCn1cncc1CNC[C@H](O)[C@H]1CCCO1 ZINC000527756821 387696422 /nfs/dbraw/zinc/69/64/22/387696422.db2.gz LYROCAFMUIIFAI-NWDGAFQWSA-N 0 3 239.319 0.533 20 0 BCADHN Cn1nccc1[C@H]1CCCN(CCCO)C1 ZINC000363013984 387684982 /nfs/dbraw/zinc/68/49/82/387684982.db2.gz GRFMGXKJMIWEQD-NSHDSACASA-N 0 3 223.320 0.982 20 0 BCADHN COC[C@H](O)CN1CCC[C@H](n2cccn2)C1 ZINC000126529363 387685862 /nfs/dbraw/zinc/68/58/62/387685862.db2.gz JUGVOCJSBDWDPX-NWDGAFQWSA-N 0 3 239.319 0.527 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@@H](O)CSC ZINC000451950025 387686897 /nfs/dbraw/zinc/68/68/97/387686897.db2.gz YUPUOWKSDSBUIR-OPRDCNLKSA-N 0 3 235.349 0.104 20 0 BCADHN COC[C@@H](C)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451990750 387691452 /nfs/dbraw/zinc/69/14/52/387691452.db2.gz JTZXEPMTXPRJAY-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN C[C@H](CO)CNC(=O)C12CCCN1CCC2 ZINC000377105145 387692126 /nfs/dbraw/zinc/69/21/26/387692126.db2.gz VDOXICPPGGCRJZ-JTQLQIEISA-N 0 3 226.320 0.359 20 0 BCADHN C[C@H](O)CN1CCCC[C@H]1C(=N)NO ZINC000377115494 387693601 /nfs/dbraw/zinc/69/36/01/387693601.db2.gz SJDIYUHRWILHQC-YUMQZZPRSA-N 0 3 201.270 0.178 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441295403 387743294 /nfs/dbraw/zinc/74/32/94/387743294.db2.gz RELRQLLSXQYLFH-QJPTWQEYSA-N 0 3 240.347 0.999 20 0 BCADHN c1cn(CCCN2CCCOCC2)cn1 ZINC000367695707 387743593 /nfs/dbraw/zinc/74/35/93/387743593.db2.gz GUJYXKXNFQKQPS-UHFFFAOYSA-N 0 3 209.293 0.996 20 0 BCADHN CN(CCO)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000377730812 387746474 /nfs/dbraw/zinc/74/64/74/387746474.db2.gz ZKKDHFFMCPUZGE-GFCCVEGCSA-N 0 3 246.326 0.650 20 0 BCADHN Cc1nccc(CCC(=O)NCCN(C)C)n1 ZINC000432047639 387747271 /nfs/dbraw/zinc/74/72/71/387747271.db2.gz PFXPWGFIVZTDOC-UHFFFAOYSA-N 0 3 236.319 0.395 20 0 BCADHN CN(C)CCN(C)C(=O)COCC(F)(F)F ZINC000356935604 387749754 /nfs/dbraw/zinc/74/97/54/387749754.db2.gz GKDRJLUUPBBMDJ-UHFFFAOYSA-N 0 3 242.241 0.585 20 0 BCADHN CCCCOCCN1CCN(CCO)C[C@@H]1C ZINC000452125001 387750850 /nfs/dbraw/zinc/75/08/50/387750850.db2.gz XDPDIXPQJPVOKZ-ZDUSSCGKSA-N 0 3 244.379 0.802 20 0 BCADHN CC(C)(C)N1CC[C@](F)(C(=O)NCCO)C1 ZINC000377822217 387752398 /nfs/dbraw/zinc/75/23/98/387752398.db2.gz VYUPTZZFRIFUPD-LLVKDONJSA-N 0 3 232.299 0.307 20 0 BCADHN CC(C)CNC(=O)CN1CC[C@@H](CCCO)C1 ZINC000452137316 387752602 /nfs/dbraw/zinc/75/26/02/387752602.db2.gz ZXSWLQDGXPZBTH-GFCCVEGCSA-N 0 3 242.363 0.853 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCCc2nccn21 ZINC000377882422 387754019 /nfs/dbraw/zinc/75/40/19/387754019.db2.gz FGPDXTNXIRUVEQ-JTQLQIEISA-N 0 3 236.319 0.438 20 0 BCADHN O[C@@H](CNCc1cc[nH]c1)[C@@H]1CCCO1 ZINC000527760195 387697608 /nfs/dbraw/zinc/69/76/08/387697608.db2.gz WSPQABBTOUIZKA-QWRGUYRKSA-N 0 3 210.277 0.644 20 0 BCADHN O[C@@H](CNCc1cccnc1)[C@H]1CCCO1 ZINC000527759401 387698567 /nfs/dbraw/zinc/69/85/67/387698567.db2.gz PQGRHPKGZZFBAE-NWDGAFQWSA-N 0 3 222.288 0.711 20 0 BCADHN CO[C@@H](C)CN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452007656 387699055 /nfs/dbraw/zinc/69/90/55/387699055.db2.gz HLPFJLPCMHPENX-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN CC(C(=O)NCC[C@@H](C)F)S(C)(=O)=O ZINC000356678456 387699413 /nfs/dbraw/zinc/69/94/13/387699413.db2.gz QASHYRFCZVFULO-RNFRBKRXSA-N 0 3 225.285 0.284 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356683846 387700443 /nfs/dbraw/zinc/70/04/43/387700443.db2.gz YDWXIFOARCWECF-AEJSXWLSSA-N 0 3 212.293 0.089 20 0 BCADHN CCO[C@@H]1CCC[C@H]1N[C@H]1CCN(C)C1=O ZINC000452022910 387701601 /nfs/dbraw/zinc/70/16/01/387701601.db2.gz QAYQJQFUIOWLBY-OUAUKWLOSA-N 0 3 226.320 0.764 20 0 BCADHN CCO[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC000452028555 387703951 /nfs/dbraw/zinc/70/39/51/387703951.db2.gz CABBNIKEFOIFBR-RKDXNWHRSA-N 0 3 243.307 0.119 20 0 BCADHN C[C@]1(C(N)=O)CCCCN1CCC1OCCO1 ZINC000127003969 387704062 /nfs/dbraw/zinc/70/40/62/387704062.db2.gz XTJBHJXPBKPLQV-GFCCVEGCSA-N 0 3 242.319 0.479 20 0 BCADHN C[C@@H](NCCCS(N)(=O)=O)c1cccnc1 ZINC000045066588 387704210 /nfs/dbraw/zinc/70/42/10/387704210.db2.gz OJSKAFYATGAHPQ-SECBINFHSA-N 0 3 243.332 0.411 20 0 BCADHN Cc1ccc(CNCCc2ncn(C)n2)nc1 ZINC000127045162 387704376 /nfs/dbraw/zinc/70/43/76/387704376.db2.gz SECMHBHAYOCZIH-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN CCc1ncc(CNCC2COC2)cn1 ZINC000527817152 387706770 /nfs/dbraw/zinc/70/67/70/387706770.db2.gz DMGHBTJDGCRBMJ-UHFFFAOYSA-N 0 3 207.277 0.775 20 0 BCADHN CC(C)(C)NC(=O)CN1CC[C@](O)(C2CC2)C1 ZINC000377269028 387708765 /nfs/dbraw/zinc/70/87/65/387708765.db2.gz VUQKIGFQGZNVRL-CYBMUJFWSA-N 0 3 240.347 0.748 20 0 BCADHN NC(C(=O)NCc1cocn1)C(F)(F)F ZINC000629614138 387713491 /nfs/dbraw/zinc/71/34/91/387713491.db2.gz YTAXQLRPMCNDNB-YFKPBYRVSA-N 0 3 223.154 0.180 20 0 BCADHN CC[S@@](=O)CC(=O)NCC(C)(C)N(C)C ZINC000431504261 387713752 /nfs/dbraw/zinc/71/37/52/387713752.db2.gz DVQHCMTZAVQYTP-OAHLLOKOSA-N 0 3 234.365 0.211 20 0 BCADHN CCn1nnc(C)c1CNCC12CC(C1)CO2 ZINC000527788346 387714180 /nfs/dbraw/zinc/71/41/80/387714180.db2.gz GJRAIZZWIXEWBT-UHFFFAOYSA-N 0 3 236.319 0.875 20 0 BCADHN CCC(CC)(CN)NC(=O)C(=O)NCC1CC1 ZINC000422815432 387715652 /nfs/dbraw/zinc/71/56/52/387715652.db2.gz BQQMIKIURMPRKJ-UHFFFAOYSA-N 0 3 241.335 0.146 20 0 BCADHN C[C@@H](O)CN(C)C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000127574574 387718225 /nfs/dbraw/zinc/71/82/25/387718225.db2.gz MHSNXNDTQPHSLX-ZYHUDNBSSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](O)CN(C)C(=O)[C@H](C1CC1)N1CCCC1 ZINC000127574784 387720246 /nfs/dbraw/zinc/72/02/46/387720246.db2.gz MHSNXNDTQPHSLX-JQWIXIFHSA-N 0 3 240.347 0.700 20 0 BCADHN CCN(CC1CCOCC1)[C@H]1CCNC1=O ZINC000440965348 387720405 /nfs/dbraw/zinc/72/04/05/387720405.db2.gz ZKVKBUNJSHQMSC-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN CN(C)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115433931 387720937 /nfs/dbraw/zinc/72/09/37/387720937.db2.gz XHXQNLWDGQHYEW-SNVBAGLBSA-N 0 3 213.325 0.942 20 0 BCADHN C[C@@H]1C[C@@H](O)CN(CCN2CCO[C@@H](C)C2)C1 ZINC000452067979 387721014 /nfs/dbraw/zinc/72/10/14/387721014.db2.gz JKCTUXSHJQZCKU-FRRDWIJNSA-N 0 3 242.363 0.410 20 0 BCADHN CC(C)C(C)(C)S(=O)(=O)C(C)C(N)=O ZINC000431652586 387725042 /nfs/dbraw/zinc/72/50/42/387725042.db2.gz DBGHHGFZZIPHQD-ZETCQYMHSA-N 0 3 221.322 0.710 20 0 BCADHN Cn1cc(CN2CC[C@@H](CC(N)=O)C2)cn1 ZINC000377554732 387726471 /nfs/dbraw/zinc/72/64/71/387726471.db2.gz OGORPLLBWKFECV-VIFPVBQESA-N 0 3 222.292 0.117 20 0 BCADHN CCOCCN1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000367606292 387728223 /nfs/dbraw/zinc/72/82/23/387728223.db2.gz VZGXVHIHVSYEFM-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN COCCN(CCC(=O)OC)[C@@H]1CCOC1 ZINC000157064886 387728929 /nfs/dbraw/zinc/72/89/29/387728929.db2.gz IMKYJBGKBVONMM-SNVBAGLBSA-N 0 3 231.292 0.287 20 0 BCADHN O=C1NCCN1CCN1CC[C@H]2OCC[C@H]2C1 ZINC000377605252 387729636 /nfs/dbraw/zinc/72/96/36/387729636.db2.gz JBEMNRLIQYVDAP-WDEREUQCSA-N 0 3 239.319 0.122 20 0 BCADHN CCC[C@@H](C(=O)N1CCN[C@@H](C)C1)N(C)C ZINC000422841654 387733181 /nfs/dbraw/zinc/73/31/81/387733181.db2.gz WKGTXAWPENGWID-QWRGUYRKSA-N 0 3 227.352 0.537 20 0 BCADHN CN(CCC(N)=O)C[C@H]1Cc2ccccc2O1 ZINC000367605595 387734613 /nfs/dbraw/zinc/73/46/13/387734613.db2.gz HMEMRXBQDKZNCK-LLVKDONJSA-N 0 3 234.299 0.797 20 0 BCADHN O=C1NC[C@H]2CN(CCOCC(F)F)CC[C@@H]12 ZINC000377658366 387736856 /nfs/dbraw/zinc/73/68/56/387736856.db2.gz XFCZEDXCHJVBBC-DTWKUNHWSA-N 0 3 248.273 0.336 20 0 BCADHN CN(C(=O)CN1CC[C@H](CCCO)C1)C1CC1 ZINC000452113738 387740424 /nfs/dbraw/zinc/74/04/24/387740424.db2.gz ABLKNSARLWFWEI-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN O=C(c1cncc(O)c1)N1CCN2CCC1CC2 ZINC000367676265 387742005 /nfs/dbraw/zinc/74/20/05/387742005.db2.gz UTMRBWHOENUPDJ-UHFFFAOYSA-N 0 3 247.298 0.707 20 0 BCADHN CCO[C@@H](C)C(=O)N(CCN(C)C)C1CC1 ZINC000356890457 387742248 /nfs/dbraw/zinc/74/22/48/387742248.db2.gz CXIUUEALPSCTGA-JTQLQIEISA-N 0 3 228.336 0.964 20 0 BCADHN CCn1nncc1CNC1CCC(O)CC1 ZINC000527912373 387764481 /nfs/dbraw/zinc/76/44/81/387764481.db2.gz DQXATKYUIOEXRX-UHFFFAOYSA-N 0 3 224.308 0.691 20 0 BCADHN CCCN(C)CC(=O)NCc1nnc(CC)[nH]1 ZINC000452182908 387765406 /nfs/dbraw/zinc/76/54/06/387765406.db2.gz SCFUZNJGMMKQII-UHFFFAOYSA-N 0 3 239.323 0.325 20 0 BCADHN CCC[N@H+](C)CC(=O)NCc1nnc(CC)[n-]1 ZINC000452182908 387765410 /nfs/dbraw/zinc/76/54/10/387765410.db2.gz SCFUZNJGMMKQII-UHFFFAOYSA-N 0 3 239.323 0.325 20 0 BCADHN CCC[N@@H+](C)CC(=O)NCc1nnc(CC)[n-]1 ZINC000452182908 387765416 /nfs/dbraw/zinc/76/54/16/387765416.db2.gz SCFUZNJGMMKQII-UHFFFAOYSA-N 0 3 239.323 0.325 20 0 BCADHN CC[C@@H](C)CN1CCN2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000378125645 387765590 /nfs/dbraw/zinc/76/55/90/387765590.db2.gz JGRKSEKQFUJAMU-ZJUUUORDSA-N 0 3 239.319 0.611 20 0 BCADHN CC(C)OC(=O)CCNC(=O)[C@@H]1CCCCN1 ZINC000150780306 387768798 /nfs/dbraw/zinc/76/87/98/387768798.db2.gz WIGIZWQXLYAJFF-JTQLQIEISA-N 0 3 242.319 0.586 20 0 BCADHN CCC(C)(C)CCN1CCO[C@@H](C(N)=O)C1 ZINC000441543381 387769165 /nfs/dbraw/zinc/76/91/65/387769165.db2.gz HQWBOACBZXDYJM-SNVBAGLBSA-N 0 3 228.336 0.999 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H]1OCCc2ccccc21 ZINC000378175379 387769776 /nfs/dbraw/zinc/76/97/76/387769776.db2.gz MNOLNALIEYJKKL-BXKDBHETSA-N 0 3 234.299 0.764 20 0 BCADHN CC(C)CN(CC(=O)N1CCNC1=O)C(C)C ZINC000192849387 387769974 /nfs/dbraw/zinc/76/99/74/387769974.db2.gz OHYATYPWFOFBLH-UHFFFAOYSA-N 0 3 241.335 0.905 20 0 BCADHN CC[C@H](N)C(=O)N(C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000378175397 387770428 /nfs/dbraw/zinc/77/04/28/387770428.db2.gz MRHSNFVDZZYTIQ-LMLFDSFASA-N 0 3 240.347 0.996 20 0 BCADHN CC(C)(C)C[C@H](O)CNC(=O)[C@]1(F)CCNC1 ZINC000378209712 387771317 /nfs/dbraw/zinc/77/13/17/387771317.db2.gz BPOBRABSNPJPIG-CABZTGNLSA-N 0 3 246.326 0.601 20 0 BCADHN CN(Cc1cnn(C)c1)C(=O)[C@@]1(F)CCNC1 ZINC000378203847 387772250 /nfs/dbraw/zinc/77/22/50/387772250.db2.gz SQMXNFJXCOXTES-LLVKDONJSA-N 0 3 240.282 0.080 20 0 BCADHN CSCC[C@@H](N)C(=O)N(C)C(C)C ZINC000163573503 387773335 /nfs/dbraw/zinc/77/33/35/387773335.db2.gz FKWDZKNXOXYIJJ-MRVPVSSYSA-N 0 3 204.339 0.934 20 0 BCADHN C[C@@H](N)C(=O)Nc1cc([C@@H]2C[C@@H]2C)[nH]n1 ZINC000157256172 387775902 /nfs/dbraw/zinc/77/59/02/387775902.db2.gz CEGOQRQJXXGUPO-RRKCRQDMSA-N 0 3 208.265 0.819 20 0 BCADHN CC(C)N(C)CC(=O)NCC[C@H](C)CCO ZINC000452247703 387780269 /nfs/dbraw/zinc/78/02/69/387780269.db2.gz MWMQMPNNQSLLLZ-NSHDSACASA-N 0 3 230.352 0.851 20 0 BCADHN COCC1(C)CN(C[C@@H](O)COC(C)C)C1 ZINC000432751776 387812603 /nfs/dbraw/zinc/81/26/03/387812603.db2.gz DOTGFLXFGCQPMO-LLVKDONJSA-N 0 3 231.336 0.741 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccc2cn(C)nc2c1 ZINC000527958689 387785960 /nfs/dbraw/zinc/78/59/60/387785960.db2.gz IBXQLIDLOZDDCF-VIFPVBQESA-N 0 3 246.314 0.927 20 0 BCADHN CC[C@H](Cn1cncn1)NCc1cnnn1CC ZINC000527918464 387787772 /nfs/dbraw/zinc/78/77/72/387787772.db2.gz YEKZNEAUDGZEPX-SNVBAGLBSA-N 0 3 249.322 0.458 20 0 BCADHN CCn1nncc1CN[C@@H](COC)C1CC1 ZINC000527921003 387789610 /nfs/dbraw/zinc/78/96/10/387789610.db2.gz RZSPFRSRCKLHGG-NSHDSACASA-N 0 3 224.308 0.813 20 0 BCADHN CCn1nncc1CN[C@H](C)[C@H]1CCOC1 ZINC000527921509 387790058 /nfs/dbraw/zinc/79/00/58/387790058.db2.gz ZNNRQNZLLXHORY-ZJUUUORDSA-N 0 3 224.308 0.813 20 0 BCADHN Cc1nc(C)c(CCNC(=O)[C@@H]2C[C@@H]2N)s1 ZINC000424148994 387790200 /nfs/dbraw/zinc/79/02/00/387790200.db2.gz VPRRKEDRYWIKIS-BDAKNGLRSA-N 0 3 239.344 0.766 20 0 BCADHN CC[C@@H](CO)N(C)C(=O)CN(CC)CC ZINC000452286906 387792494 /nfs/dbraw/zinc/79/24/94/387792494.db2.gz ZRNIRYIWDSJTMP-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN NS(=O)(=O)C1CCN(CC2=CCCC2)CC1 ZINC000645842050 387793954 /nfs/dbraw/zinc/79/39/54/387793954.db2.gz GJUMHRXYJVUVDD-UHFFFAOYSA-N 0 3 244.360 0.850 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCOC[C@@H]1C)N(C)C ZINC000432459949 387794504 /nfs/dbraw/zinc/79/45/04/387794504.db2.gz BISWMRBFUBCLRY-HBNTYKKESA-N 0 3 228.336 0.868 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H](CC)CCO ZINC000422982695 387794619 /nfs/dbraw/zinc/79/46/19/387794619.db2.gz XOFDYANXRYIXPS-OUAUKWLOSA-N 0 3 244.335 0.031 20 0 BCADHN Cc1nc(CN(C)C(=O)[C@@H]2C[C@@H]2N)cs1 ZINC000050465369 387795937 /nfs/dbraw/zinc/79/59/37/387795937.db2.gz HDIKZUJYMAQKCD-BDAKNGLRSA-N 0 3 225.317 0.757 20 0 BCADHN CCOC(=O)CCN[C@@H]1C(=O)NCC[C@H]1C ZINC000193604150 387797058 /nfs/dbraw/zinc/79/70/58/387797058.db2.gz LKPAYLDXXKZZRJ-SCZZXKLOSA-N 0 3 228.292 0.054 20 0 BCADHN Cn1cc(CNCC2(CCO)CC2)cn1 ZINC000133064224 387797701 /nfs/dbraw/zinc/79/77/01/387797701.db2.gz INCJRRAYMKZETJ-UHFFFAOYSA-N 0 3 209.293 0.672 20 0 BCADHN CCOC(=O)CCCN[C@@H]1C(=O)NCC[C@@H]1C ZINC000193608904 387797765 /nfs/dbraw/zinc/79/77/65/387797765.db2.gz IVIXLUDUIOBRPV-ONGXEEELSA-N 0 3 242.319 0.444 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1CCOC[C@@H]1C ZINC000432476845 387797851 /nfs/dbraw/zinc/79/78/51/387797851.db2.gz OCYJGKAWXDDAGA-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN COC[C@@H](C)CN[C@@H](CO)c1cnn(C)c1 ZINC000309503609 387813151 /nfs/dbraw/zinc/81/31/51/387813151.db2.gz AJCFSJMEYDFEGL-ONGXEEELSA-N 0 3 227.308 0.326 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCCN1CCCCC1 ZINC000193646387 387800447 /nfs/dbraw/zinc/80/04/47/387800447.db2.gz HUHGXLROLBFSLG-NEPJUHHUSA-N 0 3 239.363 0.587 20 0 BCADHN CS[C@H](CO)[C@H](C)NCc1cncnc1 ZINC000152438991 387802116 /nfs/dbraw/zinc/80/21/16/387802116.db2.gz HGDLSQUPTJFBCX-WCBMZHEXSA-N 0 3 227.333 0.679 20 0 BCADHN O=C(CCN1CCC[C@@H](O)C1)NC1CCCC1 ZINC000193731084 387802048 /nfs/dbraw/zinc/80/20/48/387802048.db2.gz VJTXDRBYATXILH-GFCCVEGCSA-N 0 3 240.347 0.892 20 0 BCADHN CC(C)C(=O)NC[C@H]1CCCN1CCCO ZINC000452354905 387808941 /nfs/dbraw/zinc/80/89/41/387808941.db2.gz WMWJLZXLYZEDCK-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CN(Cc1cocn1)C1CCN(CCO)CC1 ZINC000432749099 387811502 /nfs/dbraw/zinc/81/15/02/387811502.db2.gz RXDRBEFVIQYQRB-UHFFFAOYSA-N 0 3 239.319 0.563 20 0 BCADHN C[C@@H](Cc1cnccn1)N[C@H]1CCCN(C)C1=O ZINC000527964979 387811558 /nfs/dbraw/zinc/81/15/58/387811558.db2.gz WBSVRRDTIXFEFG-JQWIXIFHSA-N 0 3 248.330 0.618 20 0 BCADHN CC(C)OC(=O)CCN1CCN(C)C[C@H]1C ZINC000441401599 387756898 /nfs/dbraw/zinc/75/68/98/387756898.db2.gz IBBGBPWBTWYJSA-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)[C@@H](O)CN1CCN(C[C@H](C)O)C[C@H]1C ZINC000432797001 387822697 /nfs/dbraw/zinc/82/26/97/387822697.db2.gz JOCXZCUFBDXRDM-AGIUHOORSA-N 0 3 244.379 0.390 20 0 BCADHN CC(C)[C@@H](O)CN1CCN(C[C@H](C)O)CC1 ZINC000432807553 387824515 /nfs/dbraw/zinc/82/45/15/387824515.db2.gz XAPPAIIJGJFNNP-RYUDHWBXSA-N 0 3 230.352 0.002 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)C[C@@H]1CCCO1 ZINC000433162456 387873009 /nfs/dbraw/zinc/87/30/09/387873009.db2.gz ZTEQWBUYXBQTLZ-NEPJUHHUSA-N 0 3 231.336 0.883 20 0 BCADHN C(CN1CCc2nn[nH]c2C1)C1CCOCC1 ZINC000432807054 387825581 /nfs/dbraw/zinc/82/55/81/387825581.db2.gz VLBRFQGIKNLYRU-UHFFFAOYSA-N 0 3 236.319 0.980 20 0 BCADHN C(CN1CCc2n[nH]nc2C1)C1CCOCC1 ZINC000432807054 387825586 /nfs/dbraw/zinc/82/55/86/387825586.db2.gz VLBRFQGIKNLYRU-UHFFFAOYSA-N 0 3 236.319 0.980 20 0 BCADHN CC[C@H](CO)N(C)C(=O)CN1CC[C@H](C)C1 ZINC000564101823 387826355 /nfs/dbraw/zinc/82/63/55/387826355.db2.gz YAJLCICSDKLYNJ-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN CO[C@H](C)CNC(=O)C1CCN(C)CC1 ZINC000442722297 387827940 /nfs/dbraw/zinc/82/79/40/387827940.db2.gz XGZYPIOTNHQTQK-SECBINFHSA-N 0 3 214.309 0.479 20 0 BCADHN CC(C)OC[C@H](CO)N(C)C[C@H]1CCCO1 ZINC000433162458 387873134 /nfs/dbraw/zinc/87/31/34/387873134.db2.gz ZTEQWBUYXBQTLZ-NWDGAFQWSA-N 0 3 231.336 0.883 20 0 BCADHN CCOCCN(C)[C@H](CO)COC(C)C ZINC000433156234 387873145 /nfs/dbraw/zinc/87/31/45/387873145.db2.gz AMBVDTAMDQEDDW-LLVKDONJSA-N 0 3 219.325 0.741 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000442736033 387831992 /nfs/dbraw/zinc/83/19/92/387831992.db2.gz KBPAPLLEZSFZSC-BBBLOLIVSA-N 0 3 241.335 0.097 20 0 BCADHN O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H]1C1CC1 ZINC000452498033 387840340 /nfs/dbraw/zinc/84/03/40/387840340.db2.gz KRFWLEGTDRFADZ-STQMWFEESA-N 0 3 249.358 0.387 20 0 BCADHN CC(C)[C@@H](O)CN1CCCC[C@H]1C(N)=O ZINC000432924968 387841744 /nfs/dbraw/zinc/84/17/44/387841744.db2.gz PLIYXHZILVUWSP-UWVGGRQHSA-N 0 3 214.309 0.343 20 0 BCADHN Cc1ncc(CN[C@@H]2CCC[C@@H]2C[NH3+])c(=O)[n-]1 ZINC000423026108 387843060 /nfs/dbraw/zinc/84/30/60/387843060.db2.gz ALTCIUBREJFWKF-MWLCHTKSSA-N 0 3 236.319 0.708 20 0 BCADHN CCC(=O)C1(C(=O)NC[C@@H](C)N(C)C)CC1 ZINC000448675838 387843193 /nfs/dbraw/zinc/84/31/93/387843193.db2.gz DYBIFQZKWVQCNB-SECBINFHSA-N 0 3 226.320 0.812 20 0 BCADHN Cc1ncc(CN[C@H](C)C[C@H](C)[NH3+])c(=O)[n-]1 ZINC000423028809 387845548 /nfs/dbraw/zinc/84/55/48/387845548.db2.gz HEQVPAJUGKVQHZ-JGVFFNPUSA-N 0 3 224.308 0.706 20 0 BCADHN Cc1ncc(CN[C@@H](C)C[C@H](C)[NH3+])c(=O)[n-]1 ZINC000423028811 387847060 /nfs/dbraw/zinc/84/70/60/387847060.db2.gz HEQVPAJUGKVQHZ-YUMQZZPRSA-N 0 3 224.308 0.706 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000424164903 387847582 /nfs/dbraw/zinc/84/75/82/387847582.db2.gz AKXKCUTWCYODRO-YFKTTZPYSA-N 0 3 240.347 0.781 20 0 BCADHN CCNC(=O)CN1CCC[C@H](COC)C1 ZINC000062161032 387851717 /nfs/dbraw/zinc/85/17/17/387851717.db2.gz CFEDVZFGLVGPDF-JTQLQIEISA-N 0 3 214.309 0.481 20 0 BCADHN COCCC1(CNC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424166147 387852110 /nfs/dbraw/zinc/85/21/10/387852110.db2.gz FYAPTKXNYVUCBK-BDAKNGLRSA-N 0 3 212.293 0.267 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@@H]1CCCCN1 ZINC000157618835 387858805 /nfs/dbraw/zinc/85/88/05/387858805.db2.gz LTIMZVHGGYZNIS-UWVGGRQHSA-N 0 3 214.309 0.406 20 0 BCADHN CCCN(C)CC(=O)NCc1nccn1CC ZINC000452577197 387862070 /nfs/dbraw/zinc/86/20/70/387862070.db2.gz WLAQIYCTACYXLQ-UHFFFAOYSA-N 0 3 238.335 0.861 20 0 BCADHN CC(C)[C@@H](CO)C(=O)NC[C@@H](C)N(C)C ZINC000448683535 387862876 /nfs/dbraw/zinc/86/28/76/387862876.db2.gz ZJBZZXJPUKWPSK-NXEZZACHSA-N 0 3 216.325 0.317 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)n1 ZINC000235893748 387866534 /nfs/dbraw/zinc/86/65/34/387866534.db2.gz RBZBTIGEBBDWTG-ZDUSSCGKSA-N 0 3 249.314 0.793 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2CC[C@](C)(C(N)=O)C2)n1 ZINC000235893748 387866536 /nfs/dbraw/zinc/86/65/36/387866536.db2.gz RBZBTIGEBBDWTG-ZDUSSCGKSA-N 0 3 249.314 0.793 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)CC[C@@H](C)O ZINC000157701376 387866705 /nfs/dbraw/zinc/86/67/05/387866705.db2.gz NYZPSFCVWDYTAF-RKDXNWHRSA-N 0 3 202.298 0.199 20 0 BCADHN CCC[C@](C)(O)C(=O)NC[C@@H]1CCCN1C ZINC000433129474 387867975 /nfs/dbraw/zinc/86/79/75/387867975.db2.gz DGHLDBNGYORMNJ-JQWIXIFHSA-N 0 3 228.336 0.748 20 0 BCADHN CCOC[C@@H](O)CN(C)[C@@H](CO)COC(C)C ZINC000433151937 387871025 /nfs/dbraw/zinc/87/10/25/387871025.db2.gz JZWRZOUKHYXIPP-RYUDHWBXSA-N 0 3 249.351 0.102 20 0 BCADHN CCOC[C@H](O)CN(C)[C@H](CO)COC(C)C ZINC000433151938 387871252 /nfs/dbraw/zinc/87/12/52/387871252.db2.gz JZWRZOUKHYXIPP-VXGBXAGGSA-N 0 3 249.351 0.102 20 0 BCADHN CO[C@H](C)CN(C)[C@H](CO)COC(C)C ZINC000433151486 387871423 /nfs/dbraw/zinc/87/14/23/387871423.db2.gz NUDNNSOKFGPFFF-GHMZBOCLSA-N 0 3 219.325 0.739 20 0 BCADHN COCCN(C)[C@@H](CO)COC(C)C ZINC000433158340 387872733 /nfs/dbraw/zinc/87/27/33/387872733.db2.gz JNOLVQZHHGLCHP-JTQLQIEISA-N 0 3 205.298 0.351 20 0 BCADHN Cc1ncc(CC(=O)N(C)CCN(C)C)o1 ZINC000639896659 387816869 /nfs/dbraw/zinc/81/68/69/387816869.db2.gz IIQDVXXJFUZQIU-UHFFFAOYSA-N 0 3 225.292 0.546 20 0 BCADHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)NC1CC1 ZINC000236390150 387890120 /nfs/dbraw/zinc/89/01/20/387890120.db2.gz WIGODVJUDWUJCT-PWSUYJOCSA-N 0 3 224.304 0.422 20 0 BCADHN CN(C)CC(=O)NCCN1CCCC(C)(C)C1 ZINC000444606663 387890116 /nfs/dbraw/zinc/89/01/16/387890116.db2.gz FPBCUHAQOGMAOD-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@@H](N)CC(C)C ZINC000158080559 387890439 /nfs/dbraw/zinc/89/04/39/387890439.db2.gz KINXGRBRBTXOTG-ZJUUUORDSA-N 0 3 216.325 0.637 20 0 BCADHN CCOC(=O)C[C@@H](C)CNC(=O)[C@H](C)N ZINC000158065397 387891533 /nfs/dbraw/zinc/89/15/33/387891533.db2.gz BVODGHFAGFXQMQ-SFYZADRCSA-N 0 3 216.281 0.039 20 0 BCADHN CC(C)(O)C(=O)NCCN1CCCC(C)(C)C1 ZINC000444618501 387892310 /nfs/dbraw/zinc/89/23/10/387892310.db2.gz JNIUOBFNTAESFI-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCC[C@H](O)CC ZINC000158092444 387894497 /nfs/dbraw/zinc/89/44/97/387894497.db2.gz XAISGNCTRJGOHO-MWLCHTKSSA-N 0 3 216.325 0.781 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@@H](OC)C1 ZINC000154282582 387897106 /nfs/dbraw/zinc/89/71/06/387897106.db2.gz KMNAHHZGJJHKLO-BDAKNGLRSA-N 0 3 200.282 0.361 20 0 BCADHN CSCC[C@@H](N)C(=O)Nc1cn[nH]c1 ZINC000154309797 387897133 /nfs/dbraw/zinc/89/71/33/387897133.db2.gz VRZOHNWLWVNELP-SSDOTTSWSA-N 0 3 214.294 0.429 20 0 BCADHN CCOC(=O)N1CCCN(CCCO)CC1 ZINC000194866090 387898178 /nfs/dbraw/zinc/89/81/78/387898178.db2.gz YHNWZRQYCYYWHZ-UHFFFAOYSA-N 0 3 230.308 0.533 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCC=C(C)C ZINC000423076758 387875941 /nfs/dbraw/zinc/87/59/41/387875941.db2.gz ZPZZJOGWBRKQFS-WDEREUQCSA-N 0 3 226.320 0.836 20 0 BCADHN CC/C=C/CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000452616678 387878139 /nfs/dbraw/zinc/87/81/39/387878139.db2.gz WDOVCENUEIKJBS-PCAWENJQSA-N 0 3 237.347 0.459 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCc1nnc(C)n1C ZINC000393237651 387879932 /nfs/dbraw/zinc/87/99/32/387879932.db2.gz STDKJJFTTVFMGB-GMSGAONNSA-N 0 3 239.323 0.113 20 0 BCADHN CS[C@@H](CO)[C@H](C)NCc1c[nH]nc1C ZINC000152474550 387885149 /nfs/dbraw/zinc/88/51/49/387885149.db2.gz ZMCIIITTXZZAMT-WPRPVWTQSA-N 0 3 229.349 0.920 20 0 BCADHN CS[C@@H](CO)[C@@H](C)NCc1c[nH]nc1C ZINC000152474664 387885284 /nfs/dbraw/zinc/88/52/84/387885284.db2.gz ZMCIIITTXZZAMT-SCZZXKLOSA-N 0 3 229.349 0.920 20 0 BCADHN CC(C)[C@H](O)C1(CNC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424176852 387886872 /nfs/dbraw/zinc/88/68/72/387886872.db2.gz YTDPHJRYTGLJAY-UTLUCORTSA-N 0 3 226.320 0.247 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCC[C@@H]1CCCCO1 ZINC000424178958 387888813 /nfs/dbraw/zinc/88/88/13/387888813.db2.gz XWHQIPVWAVGKMB-GARJFASQSA-N 0 3 226.320 0.799 20 0 BCADHN CN(CC(F)F)C(=O)C[C@H]1CNCCO1 ZINC000158026818 387888989 /nfs/dbraw/zinc/88/89/89/387888989.db2.gz PZNCVNJEJOGJCV-ZETCQYMHSA-N 0 3 222.235 0.088 20 0 BCADHN Cc1nocc1CNC[C@H]1CCN(C)C(=O)C1 ZINC000424185113 387900058 /nfs/dbraw/zinc/90/00/58/387900058.db2.gz GEECBJGKEMJRRK-JTQLQIEISA-N 0 3 237.303 0.941 20 0 BCADHN COCCO[C@H]1CCN(C[C@H](O)CSC)C1 ZINC000444749980 387919259 /nfs/dbraw/zinc/91/92/59/387919259.db2.gz WOGOJUQQBHPDGR-QWRGUYRKSA-N 0 3 249.376 0.448 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCC[C@@H](O)C(C)C ZINC000236687855 387901074 /nfs/dbraw/zinc/90/10/74/387901074.db2.gz SUOBPTYPOUEWTO-WDEREUQCSA-N 0 3 230.352 0.883 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@@H]1CC[C@@H](F)C1 ZINC000423123334 387902991 /nfs/dbraw/zinc/90/29/91/387902991.db2.gz LGBPRKOFDALGIO-CHWFTXMASA-N 0 3 244.310 0.760 20 0 BCADHN CCOCC[C@@H](O)CN[C@H](C(N)=O)C(C)(C)C ZINC000444662858 387903524 /nfs/dbraw/zinc/90/35/24/387903524.db2.gz NQHOFYKJUMPCOY-NXEZZACHSA-N 0 3 246.351 0.264 20 0 BCADHN COCC[C@@H]1CCCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424185655 387904615 /nfs/dbraw/zinc/90/46/15/387904615.db2.gz GCTMNRFCAZYZAZ-TUAOUCFPSA-N 0 3 240.347 0.999 20 0 BCADHN CCCC[C@@H](N)C(=O)NC[C@H](C)C(=O)OCC ZINC000236762741 387905545 /nfs/dbraw/zinc/90/55/45/387905545.db2.gz WLLAEZCEWHKQMP-VHSXEESVSA-N 0 3 244.335 0.819 20 0 BCADHN OC[C@@H]1CCCCN1C[C@@H](O)CC1(O)CCC1 ZINC000528349621 387905733 /nfs/dbraw/zinc/90/57/33/387905733.db2.gz IMVXNPGHALVFQU-RYUDHWBXSA-N 0 3 243.347 0.499 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@H](C)CC(=O)OC ZINC000236801898 387907120 /nfs/dbraw/zinc/90/71/20/387907120.db2.gz AHBIDNSGONINGO-RKDXNWHRSA-N 0 3 230.308 0.572 20 0 BCADHN OC[C@H]1CCCN(C[C@H](O)CC2(O)CCC2)C1 ZINC000528346861 387907192 /nfs/dbraw/zinc/90/71/92/387907192.db2.gz VOKVTCSLUHZFKU-NWDGAFQWSA-N 0 3 243.347 0.357 20 0 BCADHN CCCCOCCOCCNC(=O)C1(N)CC1 ZINC000236835118 387907241 /nfs/dbraw/zinc/90/72/41/387907241.db2.gz LCCJSKIDLPFLFB-UHFFFAOYSA-N 0 3 244.335 0.427 20 0 BCADHN CCN(C)C(=O)CNC[C@@](C)(CC)OC ZINC000322584774 387907552 /nfs/dbraw/zinc/90/75/52/387907552.db2.gz DUMBFJBIIPEEAA-LLVKDONJSA-N 0 3 216.325 0.869 20 0 BCADHN CCOCC[C@H](O)CN1CCN(C)CC1(C)C ZINC000444687561 387908123 /nfs/dbraw/zinc/90/81/23/387908123.db2.gz GWZPJBHTETWRCG-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN CCOCC[C@@H](O)CN1CCN(C)CC1(C)C ZINC000444687559 387908946 /nfs/dbraw/zinc/90/89/46/387908946.db2.gz GWZPJBHTETWRCG-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCC[C@H](C)F ZINC000423132638 387909152 /nfs/dbraw/zinc/90/91/52/387909152.db2.gz JPBORHQTHXSFQI-LPEHRKFASA-N 0 3 232.299 0.618 20 0 BCADHN CCOCC[C@@H](O)CN1C[C@@H](OC)[C@@H](OC)C1 ZINC000444690280 387911197 /nfs/dbraw/zinc/91/11/97/387911197.db2.gz JKHYNQFWEQFHRN-UTUOFQBUSA-N 0 3 247.335 0.120 20 0 BCADHN COc1ccnc(CN[C@H]2CN(C)C[C@@H]2C)n1 ZINC000424190357 387913039 /nfs/dbraw/zinc/91/30/39/387913039.db2.gz NZYFKKDFLLZVBW-UWVGGRQHSA-N 0 3 236.319 0.525 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)CC(=O)OC ZINC000236901878 387913579 /nfs/dbraw/zinc/91/35/79/387913579.db2.gz YDNAVXWMPAHMRS-NRPADANISA-N 0 3 230.308 0.428 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000236908163 387913719 /nfs/dbraw/zinc/91/37/19/387913719.db2.gz HNBCFOPDFLTLDR-GDPRMGEGSA-N 0 3 241.335 0.097 20 0 BCADHN Cc1c[nH]nc1CNC[C@H]1CCN(C)C(=O)C1 ZINC000424191327 387916284 /nfs/dbraw/zinc/91/62/84/387916284.db2.gz QRSTWMBEXMQUDM-JTQLQIEISA-N 0 3 236.319 0.676 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1N[C@H](C)[C@H](C)OC ZINC000423141604 387917699 /nfs/dbraw/zinc/91/76/99/387917699.db2.gz QUYAUZYIEHRYEF-LMLFDSFASA-N 0 3 244.335 0.293 20 0 BCADHN OCCN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444729672 387917727 /nfs/dbraw/zinc/91/77/27/387917727.db2.gz SDHRDAANLSEXSZ-SFYZADRCSA-N 0 3 227.226 0.614 20 0 BCADHN NCC(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000237954364 387929417 /nfs/dbraw/zinc/92/94/17/387929417.db2.gz KBTKCXCPNWPNEQ-NSHDSACASA-N 0 3 219.288 0.658 20 0 BCADHN COC[C@@H](O)CCN[C@H](C)c1cn(C)nc1C ZINC000179537016 387930610 /nfs/dbraw/zinc/93/06/10/387930610.db2.gz IXUXWSVUDQLYLC-KOLCDFICSA-N 0 3 241.335 0.777 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@H]1CC12CC2 ZINC000424216654 387932679 /nfs/dbraw/zinc/93/26/79/387932679.db2.gz BJPNVLMYYYVEEZ-RITPCOANSA-N 0 3 204.220 0.638 20 0 BCADHN CCN1C[C@H](N[C@@H](C)c2cnccc2N)CC1=O ZINC000423154923 387934206 /nfs/dbraw/zinc/93/42/06/387934206.db2.gz PPVZSKFQNDOZGJ-VHSXEESVSA-N 0 3 248.330 0.766 20 0 BCADHN O=C(C[C@H]1CNCCO1)N[C@@H]1C[C@H]1C1CCC1 ZINC000424218579 387934494 /nfs/dbraw/zinc/93/44/94/387934494.db2.gz VCOWGYJAKPWKIE-SDDRHHMPSA-N 0 3 238.331 0.670 20 0 BCADHN CNCC(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424217494 387935523 /nfs/dbraw/zinc/93/55/23/387935523.db2.gz LWDNQGFBVUJTDQ-PWSUYJOCSA-N 0 3 222.263 0.959 20 0 BCADHN CC(C)[C@H](C(=O)N(C)CC1(CO)CC1)N(C)C ZINC000438486487 387936481 /nfs/dbraw/zinc/93/64/81/387936481.db2.gz HEBBGMWLEXPEDS-LLVKDONJSA-N 0 3 242.363 0.804 20 0 BCADHN CNC(=O)NC(=O)[C@@H](C)N(C)CC(C)(C)OC ZINC000533023504 387920593 /nfs/dbraw/zinc/92/05/93/387920593.db2.gz GINQJMJCKUWVNV-MRVPVSSYSA-N 0 3 245.323 0.187 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@H](N)CC(C)C ZINC000237214863 387924242 /nfs/dbraw/zinc/92/42/42/387924242.db2.gz IKZSCZGDRUHWMH-DTWKUNHWSA-N 0 3 230.308 0.428 20 0 BCADHN Cc1cc(S(=O)(=O)NC2CNC2)ccc1F ZINC000237785974 387927620 /nfs/dbraw/zinc/92/76/20/387927620.db2.gz XFWMIXIAMWCQOX-UHFFFAOYSA-N 0 3 244.291 0.384 20 0 BCADHN O[C@@H]1CC[C@H]1NCc1ccc(-n2cncn2)cc1 ZINC000424203156 387928808 /nfs/dbraw/zinc/92/88/08/387928808.db2.gz QUGUIUFLEHCFEQ-CHWSQXEVSA-N 0 3 244.298 0.880 20 0 BCADHN C[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000424203613 387929165 /nfs/dbraw/zinc/92/91/65/387929165.db2.gz UKAJFNDYWWUGRM-GRYCIOLGSA-N 0 3 240.347 0.917 20 0 BCADHN COC(=O)[C@@H]1CCN(CCc2cn[nH]c2)[C@@H]1C ZINC000459426052 387939694 /nfs/dbraw/zinc/93/96/94/387939694.db2.gz HZOWPTORNZMPEV-MWLCHTKSSA-N 0 3 237.303 0.836 20 0 BCADHN COC(=O)C[C@H]1CCCN1C[C@@H]1COCCO1 ZINC000450599225 387939724 /nfs/dbraw/zinc/93/97/24/387939724.db2.gz SGSDJNFNHSDMFS-GHMZBOCLSA-N 0 3 243.303 0.429 20 0 BCADHN CC1(O)CC(C(=O)NCCN2CCCC2)C1 ZINC000448604828 387941318 /nfs/dbraw/zinc/94/13/18/387941318.db2.gz JNPROWBVZVTOMM-UHFFFAOYSA-N 0 3 226.320 0.359 20 0 BCADHN CC[C@H](C(=O)N(CCO)CCCOC)N(C)C ZINC000438526338 387941711 /nfs/dbraw/zinc/94/17/11/387941711.db2.gz IMHIMVCJBJHAGV-LLVKDONJSA-N 0 3 246.351 0.184 20 0 BCADHN CC[C@](C)(CN[C@@H](C)CS(C)(=O)=O)OC ZINC000322620969 387942068 /nfs/dbraw/zinc/94/20/68/387942068.db2.gz NOROVEXZZGORSX-VHSXEESVSA-N 0 3 237.365 0.824 20 0 BCADHN Cc1cc(CN)cc(NC(=O)[C@H]2COCCN2)c1 ZINC000424240972 387942135 /nfs/dbraw/zinc/94/21/35/387942135.db2.gz NQPRWASFBVBHRK-GFCCVEGCSA-N 0 3 249.314 0.381 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@@H](N2CCCC2)C1 ZINC000245392914 387944249 /nfs/dbraw/zinc/94/42/49/387944249.db2.gz BYUZYEXNSIIJGL-VXGBXAGGSA-N 0 3 239.363 0.633 20 0 BCADHN COCCCC(=O)N(C)C1CCN(C)CC1 ZINC000044821008 387944903 /nfs/dbraw/zinc/94/49/03/387944903.db2.gz QDSNZNYPGMZZPJ-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)N(C)CCN(C)C ZINC000438586129 387946017 /nfs/dbraw/zinc/94/60/17/387946017.db2.gz NQKZTPGKSMPWLE-NXEZZACHSA-N 0 3 213.325 0.988 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)C(=O)N(C)[C@@H](C)CN ZINC000418925721 387947284 /nfs/dbraw/zinc/94/72/84/387947284.db2.gz RKRMCBHFDYVTFD-GUBZILKMSA-N 0 3 243.351 0.343 20 0 BCADHN CC[C@H](C)[C@@H](C)NC(=O)C(=O)N[C@H](C)CN ZINC000418923364 387947808 /nfs/dbraw/zinc/94/78/08/387947808.db2.gz MBNVBOOGLTWJTM-DJLDLDEBSA-N 0 3 229.324 0.001 20 0 BCADHN CC[C@@](C)(CN[C@H](C)C(=O)N(C)C)OC ZINC000322633942 387949147 /nfs/dbraw/zinc/94/91/47/387949147.db2.gz RUVIYQZEZMFROI-KOLCDFICSA-N 0 3 216.325 0.868 20 0 BCADHN CC(C)NC(=O)NCCN(C)C(C)(C)CO ZINC000645805365 387949866 /nfs/dbraw/zinc/94/98/66/387949866.db2.gz DIYZTFUVJHPQEI-UHFFFAOYSA-N 0 3 231.340 0.397 20 0 BCADHN COC(=O)CC1CC(N[C@@H](C)C(=O)N(C)C)C1 ZINC000424281675 387950352 /nfs/dbraw/zinc/95/03/52/387950352.db2.gz NVCJSAHEWWNSHW-IDKOKCKLSA-N 0 3 242.319 0.394 20 0 BCADHN CC(=O)c1ccc(C(=O)NCCN)cc1 ZINC000158626961 387959911 /nfs/dbraw/zinc/95/99/11/387959911.db2.gz NZJRPOSIMDQUBW-UHFFFAOYSA-N 0 3 206.245 0.578 20 0 BCADHN CCC[C@H](OC)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453012812 387960004 /nfs/dbraw/zinc/96/00/04/387960004.db2.gz SKQFNPARXWCAHH-TUAOUCFPSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@](C)(OC)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453016310 387961771 /nfs/dbraw/zinc/96/17/71/387961771.db2.gz WBFSUQCURKZTNB-LOWVWBTDSA-N 0 3 240.347 0.964 20 0 BCADHN CNCC(=O)Nc1ccccc1N(C)C(C)=O ZINC000158728135 387962072 /nfs/dbraw/zinc/96/20/72/387962072.db2.gz LKUOEUCICJSFAA-UHFFFAOYSA-N 0 3 235.287 0.827 20 0 BCADHN OCCN(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245585873 387963212 /nfs/dbraw/zinc/96/32/12/387963212.db2.gz DVZMCXYFFPZITG-WDEREUQCSA-N 0 3 231.361 0.965 20 0 BCADHN CN(C[C@@H]1CCC[C@H]1O)[C@H]1CCCCNC1=O ZINC000245601809 387964533 /nfs/dbraw/zinc/96/45/33/387964533.db2.gz IZLCVZDAYLMFRC-SDDRHHMPSA-N 0 3 240.347 0.748 20 0 BCADHN CC[C@@H](CN1CCCC[C@@H]1C(N)=O)OC ZINC000419195304 387965221 /nfs/dbraw/zinc/96/52/21/387965221.db2.gz XTBJWNDUUQWQPL-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN CO[C@@H](CC(C)C)CN(C)CCOCCO ZINC000419265411 387966149 /nfs/dbraw/zinc/96/61/49/387966149.db2.gz DRMJOUQFVVAXNI-LBPRGKRZSA-N 0 3 233.352 0.988 20 0 BCADHN COC[C@@H](C)CC(=O)NC1CCN(C)CC1 ZINC000445777873 387967035 /nfs/dbraw/zinc/96/70/35/387967035.db2.gz ZSBRFFOKYJPOMG-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000423181497 387967078 /nfs/dbraw/zinc/96/70/78/387967078.db2.gz LBPOXDWDKJUCQY-HLTSFMKQSA-N 0 3 228.292 0.052 20 0 BCADHN COC[C@@H](O)CN1CCS[C@@H]2COCC[C@H]21 ZINC000245614022 387967724 /nfs/dbraw/zinc/96/77/24/387967724.db2.gz XANXWGQIYWMOEE-HBNTYKKESA-N 0 3 247.360 0.200 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000445793240 387968310 /nfs/dbraw/zinc/96/83/10/387968310.db2.gz BXLZXEIJIKTYSE-VHSXEESVSA-N 0 3 241.335 0.098 20 0 BCADHN CCCN(C)CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453038844 387969010 /nfs/dbraw/zinc/96/90/10/387969010.db2.gz QUNJWLOYIHWJMG-NWDGAFQWSA-N 0 3 239.363 0.491 20 0 BCADHN CO[C@@H]1CCCN([C@H]2CCCCNC2=O)C1 ZINC000245687685 387971907 /nfs/dbraw/zinc/97/19/07/387971907.db2.gz VLSXFYYAJLHTEC-MNOVXSKESA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)COC[C@@H](O)CN(C)[C@H](C)CO ZINC000245731065 387978502 /nfs/dbraw/zinc/97/85/02/387978502.db2.gz WAOBSSAJVGYYEW-MNOVXSKESA-N 0 3 219.325 0.333 20 0 BCADHN COC(=O)[C@H](O)C1CCN(CC[C@@H](C)O)CC1 ZINC000438993921 387973357 /nfs/dbraw/zinc/97/33/57/387973357.db2.gz XKNUZZFQWLEMCZ-MWLCHTKSSA-N 0 3 245.319 0.003 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@H]2OCCC[C@@H]2C1 ZINC000245705537 387976137 /nfs/dbraw/zinc/97/61/37/387976137.db2.gz XBJNMFUWTKIRED-OUAUKWLOSA-N 0 3 224.304 0.376 20 0 BCADHN CN(C)CCc1ccccc1NC(=O)C(N)=O ZINC000445931308 387978440 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C[C@@H]1C[C@H](N[C@H]2CC(=O)N(C3CC3)C2)[C@@H](C)O1 ZINC000449223071 388158948 /nfs/dbraw/zinc/15/89/48/388158948.db2.gz JCGMIJGVDSEKHK-SVDPJWKOSA-N 0 3 238.331 0.905 20 0 BCADHN C[C@@H](CNC(=O)N1CCC[C@H](O)[C@H]1C)N(C)C ZINC000455450967 388160568 /nfs/dbraw/zinc/16/05/68/388160568.db2.gz ZCIPUBAGUUHZDS-AXFHLTTASA-N 0 3 243.351 0.491 20 0 BCADHN O=S1(=O)CCC[C@H](NC[C@H]2CCCCO2)C1 ZINC000070650794 388160950 /nfs/dbraw/zinc/16/09/50/388160950.db2.gz DSPOIMHXIJSUTE-WDEREUQCSA-N 0 3 247.360 0.722 20 0 BCADHN C[C@@H](CO[C@H]1CCOC1)NC(=O)C1(N)CCC1 ZINC000646191877 388162082 /nfs/dbraw/zinc/16/20/82/388162082.db2.gz ZITFOEANXFFKGX-UWVGGRQHSA-N 0 3 242.319 0.178 20 0 BCADHN Cc1nocc1CN1CC[C@@H](CC(N)=O)C1 ZINC000646203829 388164081 /nfs/dbraw/zinc/16/40/81/388164081.db2.gz QPVDBTTVWNLBGW-VIFPVBQESA-N 0 3 223.276 0.680 20 0 BCADHN CC[C@](C)(NC(=O)[C@H](C)NC1CC1)C(=O)OC ZINC000449272554 388164480 /nfs/dbraw/zinc/16/44/80/388164480.db2.gz VINRDSYBGGUPIW-UFBFGSQYSA-N 0 3 242.319 0.585 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)C1(N)CCC1 ZINC000449277951 388164711 /nfs/dbraw/zinc/16/47/11/388164711.db2.gz YZBPZFLVPBUXLL-IUCAKERBSA-N 0 3 214.309 0.391 20 0 BCADHN CNS(=O)(=O)CCN[C@@H](C)Cc1ccoc1 ZINC000449269524 388164767 /nfs/dbraw/zinc/16/47/67/388164767.db2.gz NNAMWRLDXDFBSE-VIFPVBQESA-N 0 3 246.332 0.349 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)c1cc(Cl)c[nH]1 ZINC000646210839 388165241 /nfs/dbraw/zinc/16/52/41/388165241.db2.gz IVCKDRYQUVRDGD-MRVPVSSYSA-N 0 3 245.710 0.320 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1ccnc2ccnn21 ZINC000449275165 388165736 /nfs/dbraw/zinc/16/57/36/388165736.db2.gz KFSBGXCGYDHYBY-MRVPVSSYSA-N 0 3 245.286 0.808 20 0 BCADHN CC[C@@H](CCO)CNC(=O)[C@H]1NCC1(C)C ZINC000646212460 388166094 /nfs/dbraw/zinc/16/60/94/388166094.db2.gz HTKBLIZFFPSMLZ-VHSXEESVSA-N 0 3 228.336 0.509 20 0 BCADHN O=C(CCC1CC1)N[C@H](CO)CN1CCCC1 ZINC000646221190 388167588 /nfs/dbraw/zinc/16/75/88/388167588.db2.gz AVFYWJSDFAGEGU-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000646246940 388170036 /nfs/dbraw/zinc/17/00/36/388170036.db2.gz LLSLASBIVIJYTA-RKDXNWHRSA-N 0 3 222.292 0.121 20 0 BCADHN CN(C)CCNC(=O)Nc1ccc2ncnn2c1 ZINC000455888850 388170522 /nfs/dbraw/zinc/17/05/22/388170522.db2.gz YBOHENODYXFSBT-UHFFFAOYSA-N 0 3 248.290 0.412 20 0 BCADHN NC1(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CCC1 ZINC000449310707 388171385 /nfs/dbraw/zinc/17/13/85/388171385.db2.gz IBIALLJFYGVMQA-MXWKQRLJSA-N 0 3 238.331 0.942 20 0 BCADHN CCN(CC)CC(=O)N1CCc2[nH]cnc2C1 ZINC000646261323 388171670 /nfs/dbraw/zinc/17/16/70/388171670.db2.gz CMTRQVNBGVKKBW-UHFFFAOYSA-N 0 3 236.319 0.636 20 0 BCADHN CCN(CC)CC(=O)N1CCc2nc[nH]c2C1 ZINC000646261323 388171672 /nfs/dbraw/zinc/17/16/72/388171672.db2.gz CMTRQVNBGVKKBW-UHFFFAOYSA-N 0 3 236.319 0.636 20 0 BCADHN C[C@@H]1CN(Cc2cn[nH]c2)C[C@H](C)N1C ZINC000646262711 388172657 /nfs/dbraw/zinc/17/26/57/388172657.db2.gz FSSMGXFREJKHGH-AOOOYVTPSA-N 0 3 208.309 0.934 20 0 BCADHN C[C@H](NC(=O)[C@H]1NCC1(C)C)c1cn[nH]c1 ZINC000646271897 388174069 /nfs/dbraw/zinc/17/40/69/388174069.db2.gz ICBBGXNHHCFTJP-IONNQARKSA-N 0 3 222.292 0.585 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)O ZINC000456246818 388188496 /nfs/dbraw/zinc/18/84/96/388188496.db2.gz LUZIYOCUKWUHMV-HBNTYKKESA-N 0 3 230.352 0.848 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)[C@@](C)(O)C3CC3)C[C@@H]21 ZINC000456168932 388183601 /nfs/dbraw/zinc/18/36/01/388183601.db2.gz OYRCWSPDXUFNGV-CDMKHQONSA-N 0 3 238.331 0.310 20 0 BCADHN CC[C@@H](O)CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000448882243 388116818 /nfs/dbraw/zinc/11/68/18/388116818.db2.gz NIASCUZFTMCELA-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN CCCN(CCN(C)C)C(=O)C[C@@H](O)CC ZINC000448913385 388120047 /nfs/dbraw/zinc/12/00/47/388120047.db2.gz SFENMHBFOWLVRI-NSHDSACASA-N 0 3 230.352 0.948 20 0 BCADHN C[C@@H](CNC(=O)NC[C@@]1(C)CCOC1)N(C)C ZINC000454504329 388121112 /nfs/dbraw/zinc/12/11/12/388121112.db2.gz WMEZXIMQSLKVGW-CMPLNLGQSA-N 0 3 243.351 0.662 20 0 BCADHN CNC(=O)CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000171236257 388123361 /nfs/dbraw/zinc/12/33/61/388123361.db2.gz ISIRBGMYOAGJRD-AEJSXWLSSA-N 0 3 241.335 0.110 20 0 BCADHN C[C@@H](CNC(=O)NCC(F)F)N(C)C ZINC000454583692 388124299 /nfs/dbraw/zinc/12/42/99/388124299.db2.gz DMAQPOHRJRDNRQ-LURJTMIESA-N 0 3 209.240 0.501 20 0 BCADHN CC(C)(C)CNC(=O)COC1CNC1 ZINC000261528145 135153838 /nfs/dbraw/zinc/15/38/38/135153838.db2.gz KMITWAAXPZICCA-UHFFFAOYSA-N 0 3 200.282 0.137 20 0 BCADHN C[C@@H](CNC(=O)NC[C@H]1CCCCO1)N(C)C ZINC000454628811 388126582 /nfs/dbraw/zinc/12/65/82/388126582.db2.gz IRKBJVJSKMIVEJ-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CN(CCNC(=O)N1CC[C@H](F)C1)C1CC1 ZINC000454652762 388128646 /nfs/dbraw/zinc/12/86/46/388128646.db2.gz WNRGMRDUTJPULB-VIFPVBQESA-N 0 3 229.299 0.834 20 0 BCADHN COC[C@H](NC(=O)NC[C@H](C)N(C)C)C1CC1 ZINC000454716133 388130884 /nfs/dbraw/zinc/13/08/84/388130884.db2.gz WLHMRUOGUJENQM-ONGXEEELSA-N 0 3 243.351 0.661 20 0 BCADHN CCN(C)CCN[C@H](C)CS(=O)(=O)CC ZINC000162237100 388131979 /nfs/dbraw/zinc/13/19/79/388131979.db2.gz AODQERCQHLFPDT-SNVBAGLBSA-N 0 3 236.381 0.351 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)C1(OC)CC1 ZINC000648718753 388134508 /nfs/dbraw/zinc/13/45/08/388134508.db2.gz BRIDZHVBNSHSEF-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CNCC(=O)N[C@H]1CCCC[C@@H]1OC ZINC000261528079 135152809 /nfs/dbraw/zinc/15/28/09/135152809.db2.gz GXNZFXJGDGXKAL-IUCAKERBSA-N 0 3 200.282 0.280 20 0 BCADHN CN(C)CCNC(=O)c1cc2n(n1)CCCC2 ZINC000449049448 388135690 /nfs/dbraw/zinc/13/56/90/388135690.db2.gz JPMXQFKULAZGEL-UHFFFAOYSA-N 0 3 236.319 0.511 20 0 BCADHN CCc1cccc(C(=O)NCCN(C)C)n1 ZINC000449048378 388135875 /nfs/dbraw/zinc/13/58/75/388135875.db2.gz FURINYCZUDAXPZ-UHFFFAOYSA-N 0 3 221.304 0.935 20 0 BCADHN Cc1cccc2c1O[C@H](C(=O)NCCN(C)C)C2 ZINC000449048666 388136039 /nfs/dbraw/zinc/13/60/39/388136039.db2.gz GPEPRBPMOZEGPZ-LBPRGKRZSA-N 0 3 248.326 0.976 20 0 BCADHN CCCN[C@H](C)C(=O)N1CCC[C@H]1C(=O)NC ZINC000449059841 388136951 /nfs/dbraw/zinc/13/69/51/388136951.db2.gz QQHXLXKIZGHNAA-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN CO[C@H]1CC[C@H](NC(=O)NC[C@H](C)N(C)C)C1 ZINC000454843940 388137086 /nfs/dbraw/zinc/13/70/86/388137086.db2.gz KBCALIQXQNDPEN-DCAQKATOSA-N 0 3 243.351 0.803 20 0 BCADHN C[C@@H]1C[C@H]1CN1CC[C@H](S(N)(=O)=O)C1 ZINC000488542339 388186510 /nfs/dbraw/zinc/18/65/10/388186510.db2.gz ZGYAQMVPIAWWTQ-VGMNWLOBSA-N 0 3 218.322 0.005 20 0 BCADHN C[C@@H](Cc1ccoc1)NCCNS(C)(=O)=O ZINC000449061087 388137186 /nfs/dbraw/zinc/13/71/86/388137186.db2.gz UXCMQNBAYIHVRW-VIFPVBQESA-N 0 3 246.332 0.349 20 0 BCADHN CC(C)[C@@H](O)CN[C@H](C)CS(C)(=O)=O ZINC000162264076 388138790 /nfs/dbraw/zinc/13/87/90/388138790.db2.gz GBJIDIKFKKWLOM-BDAKNGLRSA-N 0 3 223.338 0.026 20 0 BCADHN CSC[C@H](C)N[C@H](C)CS(C)(=O)=O ZINC000162273613 388140459 /nfs/dbraw/zinc/14/04/59/388140459.db2.gz PBEIKNPXDPQVNN-JGVFFNPUSA-N 0 3 225.379 0.761 20 0 BCADHN CC[C@@H](CCO)N[C@H](C)CS(=O)(=O)CC ZINC000162281962 388142275 /nfs/dbraw/zinc/14/22/75/388142275.db2.gz PYNHFXBVCVDKBQ-ZJUUUORDSA-N 0 3 237.365 0.560 20 0 BCADHN CCCN[C@H](C)C(=O)N(C)CC(=O)NC(C)C ZINC000449105035 388142915 /nfs/dbraw/zinc/14/29/15/388142915.db2.gz YAAYBBMOYNKWHL-SNVBAGLBSA-N 0 3 243.351 0.358 20 0 BCADHN CCCN[C@@H](C)C(=O)N[C@@H](C(N)=O)C(C)C ZINC000449122491 388145659 /nfs/dbraw/zinc/14/56/59/388145659.db2.gz LKHJCTFHVKNCFI-DTWKUNHWSA-N 0 3 229.324 0.001 20 0 BCADHN C[C@H](O)C[C@H](C)CNC(=O)[C@@H]1NCC1(C)C ZINC000646129151 388149992 /nfs/dbraw/zinc/14/99/92/388149992.db2.gz XMNZWGWHORWMPG-GUBZILKMSA-N 0 3 228.336 0.508 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000449166478 388151881 /nfs/dbraw/zinc/15/18/81/388151881.db2.gz DCPUDZULGCEEJZ-BXKDBHETSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1CCOC1(C)C)N(C)C ZINC000455239534 388153048 /nfs/dbraw/zinc/15/30/48/388153048.db2.gz BNEMMDHQHZDVTQ-UWVGGRQHSA-N 0 3 243.351 0.803 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@H](O)C1CCC1 ZINC000449179727 388153901 /nfs/dbraw/zinc/15/39/01/388153901.db2.gz WPOGYEYYMCCUBT-VXGBXAGGSA-N 0 3 240.347 0.748 20 0 BCADHN CCCCNC(=O)CN[C@@H](C)[C@H](C)CO ZINC000164899866 388248909 /nfs/dbraw/zinc/24/89/09/388248909.db2.gz MSYISICCQSIERL-ZJUUUORDSA-N 0 3 216.325 0.509 20 0 BCADHN C[C@@H](NCC(=O)NC(C)(C)C)[C@H](C)CO ZINC000164906617 388249212 /nfs/dbraw/zinc/24/92/12/388249212.db2.gz QBYXMCZDBIIMKR-RKDXNWHRSA-N 0 3 216.325 0.508 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@H](C)[C@@H](C)CO ZINC000164913890 388249227 /nfs/dbraw/zinc/24/92/27/388249227.db2.gz RSTYYAQONFBJTL-AEJSXWLSSA-N 0 3 216.325 0.508 20 0 BCADHN CCCOCC(=O)N[C@@H]1CNCCC1(F)F ZINC000449666327 388250363 /nfs/dbraw/zinc/25/03/63/388250363.db2.gz SCZOJAUGPLLBGO-MRVPVSSYSA-N 0 3 236.262 0.526 20 0 BCADHN Cn1cc(CNCC2=CCCOC2)cn1 ZINC000165218498 388251988 /nfs/dbraw/zinc/25/19/88/388251988.db2.gz SYGPWPRTKXOZMK-UHFFFAOYSA-N 0 3 207.277 0.856 20 0 BCADHN CS[C@@H](CO)[C@@H](C)NCc1cnnn1C ZINC000165503423 388253166 /nfs/dbraw/zinc/25/31/66/388253166.db2.gz ULFSLXRXGNWPHC-APPZFPTMSA-N 0 3 230.337 0.017 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000490795844 388255230 /nfs/dbraw/zinc/25/52/30/388255230.db2.gz KYOKPJHLZBNZSN-NXEZZACHSA-N 0 3 241.335 0.095 20 0 BCADHN CC[C@H](N)C(=O)NCCCOC[C@@H]1CCOC1 ZINC000490807286 388255538 /nfs/dbraw/zinc/25/55/38/388255538.db2.gz BFQVRJACCYSMLZ-QWRGUYRKSA-N 0 3 244.335 0.283 20 0 BCADHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CN ZINC000490944228 388261153 /nfs/dbraw/zinc/26/11/53/388261153.db2.gz QFEKCIUDJFIBSD-ZETCQYMHSA-N 0 3 224.308 0.043 20 0 BCADHN CCC[C@H](C(=O)N[C@H](CC)[C@H](C)O)N(C)C ZINC000456272287 388190780 /nfs/dbraw/zinc/19/07/80/388190780.db2.gz VOYZTELMCYQTSI-HBNTYKKESA-N 0 3 230.352 0.992 20 0 BCADHN COCCOC[C@H](C)NC(=O)C1(N)CCCC1 ZINC000490941395 388261026 /nfs/dbraw/zinc/26/10/26/388261026.db2.gz JETIXQKLPCSFQL-JTQLQIEISA-N 0 3 244.335 0.426 20 0 BCADHN CC[C@@H]1CN(CC)CCN1C(=O)CN(C)C ZINC000456355669 388196808 /nfs/dbraw/zinc/19/68/08/388196808.db2.gz QLBLSFTYUYOWAW-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN COC(=O)C(C)(C)CCN1CCOC[C@@H](O)C1 ZINC000449417557 388199630 /nfs/dbraw/zinc/19/96/30/388199630.db2.gz YWVSODDGZNUMFT-JTQLQIEISA-N 0 3 245.319 0.269 20 0 BCADHN CC[C@H](O)CNC(=O)NCCN(C)C1CC1 ZINC000488989410 388200982 /nfs/dbraw/zinc/20/09/82/388200982.db2.gz WGEDCBODYXBFBA-JTQLQIEISA-N 0 3 229.324 0.151 20 0 BCADHN C[C@H]1C[C@@H](CN2CCc3nn[nH]c3C2)CCO1 ZINC000489017822 388201807 /nfs/dbraw/zinc/20/18/07/388201807.db2.gz UQSAWFKWNBUSOB-UWVGGRQHSA-N 0 3 236.319 0.978 20 0 BCADHN C[C@H]1C[C@@H](CN2CCc3n[nH]nc3C2)CCO1 ZINC000489017822 388201809 /nfs/dbraw/zinc/20/18/09/388201809.db2.gz UQSAWFKWNBUSOB-UWVGGRQHSA-N 0 3 236.319 0.978 20 0 BCADHN Cc1n[nH]c(C)c1CN[C@@H](C)C[S@@](C)=O ZINC000164281817 388201805 /nfs/dbraw/zinc/20/18/05/388201805.db2.gz JZOOXSQTDCTATL-ZIDLFYJRSA-N 0 3 229.349 0.883 20 0 BCADHN C[C@H](CN=c1ncnc2[nH][n-]cc1-2)C[NH+](C)C ZINC000489008608 388202098 /nfs/dbraw/zinc/20/20/98/388202098.db2.gz HGZPCOFMLHYZOS-MRVPVSSYSA-N 0 3 234.307 0.336 20 0 BCADHN CCCN(C)CC(=O)NCC1(CC)COC1 ZINC000456468583 388202507 /nfs/dbraw/zinc/20/25/07/388202507.db2.gz GMBMDICRBGUIKA-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)[C@H](C)OC)N(C)C ZINC000461284530 388258888 /nfs/dbraw/zinc/25/88/88/388258888.db2.gz PWGPBKIVXWWYND-UTLUCORTSA-N 0 3 216.325 0.866 20 0 BCADHN CCC[C@H](C(=O)N[C@H](C)CC(=O)NC)N(C)C ZINC000456500636 388205111 /nfs/dbraw/zinc/20/51/11/388205111.db2.gz HXEQNEQKCRKKTE-NXEZZACHSA-N 0 3 243.351 0.358 20 0 BCADHN C[C@H](C[S@@](C)=O)NCc1ccn(C)c1 ZINC000164292720 388205544 /nfs/dbraw/zinc/20/55/44/388205544.db2.gz CWKNJOVNXJSMTN-OTYXRUKQSA-N 0 3 214.334 0.882 20 0 BCADHN CCO[C@@H]1C[C@@](N)(C(=O)N(C)C)C1(C)C ZINC000162521628 388205605 /nfs/dbraw/zinc/20/56/05/388205605.db2.gz AJIKADVYJNQZAD-LDYMZIIASA-N 0 3 214.309 0.607 20 0 BCADHN C[C@@H](C[S@@](C)=O)NCc1ccn(C)c1 ZINC000164292643 388205807 /nfs/dbraw/zinc/20/58/07/388205807.db2.gz CWKNJOVNXJSMTN-XPTSAGLGSA-N 0 3 214.334 0.882 20 0 BCADHN C[C@H](C[S@](C)=O)NCc1ccn(C)c1 ZINC000164292554 388205978 /nfs/dbraw/zinc/20/59/78/388205978.db2.gz CWKNJOVNXJSMTN-YMTOWFKASA-N 0 3 214.334 0.882 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](OC)[C@H](OC)C1)N(C)C ZINC000489205685 388206080 /nfs/dbraw/zinc/20/60/80/388206080.db2.gz UCHMIXDTGUIWGM-GMTAPVOTSA-N 0 3 244.335 0.199 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1COCC1(C)C ZINC000456533512 388206767 /nfs/dbraw/zinc/20/67/67/388206767.db2.gz FUJZGJCMHCQYCW-SNVBAGLBSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)CC ZINC000456569376 388209042 /nfs/dbraw/zinc/20/90/42/388209042.db2.gz BBMGPQWJPQYQQA-MNOVXSKESA-N 0 3 230.352 0.992 20 0 BCADHN CN(CCN1C(=O)CNC1=O)[C@@H]1CC1(C)C ZINC000489450709 388215137 /nfs/dbraw/zinc/21/51/37/388215137.db2.gz WUWUBPHKBDOXBI-MRVPVSSYSA-N 0 3 225.292 0.269 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1CO ZINC000456784899 388221439 /nfs/dbraw/zinc/22/14/39/388221439.db2.gz ZOJWTLZWTNGTRT-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN CCN1C[C@H](N[C@@H](C)CC(=O)N(C)C)CC1=O ZINC000449523139 388223613 /nfs/dbraw/zinc/22/36/13/388223613.db2.gz XSDCWHQXLFGYKM-VHSXEESVSA-N 0 3 241.335 0.064 20 0 BCADHN O=C(NCCOC(F)(F)F)[C@H]1CCCCN1 ZINC000397029427 388259648 /nfs/dbraw/zinc/25/96/48/388259648.db2.gz KOCXLCNLUCWQIJ-SSDOTTSWSA-N 0 3 240.225 0.781 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H](O)C1CCC1 ZINC000456866776 388228984 /nfs/dbraw/zinc/22/89/84/388228984.db2.gz JMAFDGVEKCPTLB-LLVKDONJSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](O)C1CCC1)N(C)C ZINC000456871432 388229552 /nfs/dbraw/zinc/22/95/52/388229552.db2.gz RABRXIKEAZLANN-WDEREUQCSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](O)C1CCC1)N(C)C ZINC000456871431 388229754 /nfs/dbraw/zinc/22/97/54/388229754.db2.gz RABRXIKEAZLANN-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)[C@H]1CN(C(=O)[C@@H](N)CC(F)F)CCN1 ZINC000646327662 388229839 /nfs/dbraw/zinc/22/98/39/388229839.db2.gz NGUXSESBJGFPIT-DTWKUNHWSA-N 0 3 249.305 0.425 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@H](O)C1CCC1)N(C)C ZINC000456875681 388230239 /nfs/dbraw/zinc/23/02/39/388230239.db2.gz ZIZLOMSCZUMPGA-RYUDHWBXSA-N 0 3 242.363 0.850 20 0 BCADHN COCCN(CCC[C@H](C)O)[C@H]1CCOC1 ZINC000490037369 388231664 /nfs/dbraw/zinc/23/16/64/388231664.db2.gz GEFYQJUXLBUUEP-RYUDHWBXSA-N 0 3 231.336 0.885 20 0 BCADHN CCOC[C@@H](O)CN(CCOC)[C@@H]1CCOC1 ZINC000490054134 388232503 /nfs/dbraw/zinc/23/25/03/388232503.db2.gz BRXPBROYVUNXMF-NEPJUHHUSA-N 0 3 247.335 0.121 20 0 BCADHN COCCN(C[C@H](C)OC)[C@H]1CCOC1 ZINC000490046412 388232747 /nfs/dbraw/zinc/23/27/47/388232747.db2.gz UMPDVIHBYXDZKY-QWRGUYRKSA-N 0 3 217.309 0.759 20 0 BCADHN COC[C@@](C)(CCO)NCCC(=O)NC(C)C ZINC000085903441 256568199 /nfs/dbraw/zinc/56/81/99/256568199.db2.gz ZSUYTZVGJYCLAU-GFCCVEGCSA-N 0 3 246.351 0.278 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCNC[C@@](C)(F)C1 ZINC000449571379 388235682 /nfs/dbraw/zinc/23/56/82/388235682.db2.gz KDDUTXCFHGOMKD-HOSYDEDBSA-N 0 3 245.342 0.520 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCNC[C@](C)(F)C1 ZINC000449571381 388236006 /nfs/dbraw/zinc/23/60/06/388236006.db2.gz KDDUTXCFHGOMKD-NHCYSSNCSA-N 0 3 245.342 0.520 20 0 BCADHN CCC[C@H](O)CN(CCOC)[C@H]1CCOC1 ZINC000450875430 388260208 /nfs/dbraw/zinc/26/02/08/388260208.db2.gz NJAPHKSCLFCOJK-RYUDHWBXSA-N 0 3 231.336 0.885 20 0 BCADHN COCCOCCN1CC[C@H](O)[C@@H](C)C1 ZINC000164647793 388241950 /nfs/dbraw/zinc/24/19/50/388241950.db2.gz CUOOLHBECIJQRD-QWRGUYRKSA-N 0 3 217.309 0.352 20 0 BCADHN CN(C)C/C=C\C(=O)NCc1ncccc1F ZINC000492009403 388331501 /nfs/dbraw/zinc/33/15/01/388331501.db2.gz RSWCGSRCYADHTD-XQRVVYSFSA-N 0 3 237.278 0.955 20 0 BCADHN O=C(CN1C[C@@H]2CCC[C@@H]2C1)N1CCOCC1 ZINC000152661214 388283014 /nfs/dbraw/zinc/28/30/14/388283014.db2.gz AAMCIEPQIATCAG-TXEJJXNPSA-N 0 3 238.331 0.577 20 0 BCADHN CCn1nccc1CCN1C[C@@H](O)[C@H](OC)C1 ZINC000451761165 388294243 /nfs/dbraw/zinc/29/42/43/388294243.db2.gz MSYUBVJUEDRIEV-VXGBXAGGSA-N 0 3 239.319 0.137 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C1CC(C)(O)C1 ZINC000451757358 388294278 /nfs/dbraw/zinc/29/42/78/388294278.db2.gz ICGVEAKXEVPNQS-SILCLGDVSA-N 0 3 214.309 0.214 20 0 BCADHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@H](CC)C(N)=O ZINC000451777912 388295541 /nfs/dbraw/zinc/29/55/41/388295541.db2.gz XATCVDQWHCTBMR-BBBLOLIVSA-N 0 3 242.319 0.572 20 0 BCADHN CN(CC1CC1)C(=O)CN[C@H]1COCC1(C)C ZINC000451810185 388298035 /nfs/dbraw/zinc/29/80/35/388298035.db2.gz ONWRYFRHTRKJPC-NSHDSACASA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@@H](C)N1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000451820091 388298396 /nfs/dbraw/zinc/29/83/96/388298396.db2.gz CPFAHLVSJYNGKA-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN CCN(C)C(=O)[C@H](C)NC(=O)/C=C\CN(C)C ZINC000492029393 388332016 /nfs/dbraw/zinc/33/20/16/388332016.db2.gz DPOJZOXTEGYNQA-DMEOUFDRSA-N 0 3 241.335 0.087 20 0 BCADHN CN(C)C/C=C\C(=O)N(CCO)CC(F)F ZINC000492023559 388332093 /nfs/dbraw/zinc/33/20/93/388332093.db2.gz ZCRQLZCEVIHKRL-ARJAWSKDSA-N 0 3 236.262 0.190 20 0 BCADHN CCn1cc(NC(=O)/C=C\CN(C)C)ccc1=O ZINC000491687727 388310899 /nfs/dbraw/zinc/31/08/99/388310899.db2.gz XKGUKVGIGYBMCG-WAYWQWQTSA-N 0 3 249.314 0.925 20 0 BCADHN COC(=O)CCCCNC(=O)/C=C\CN(C)C ZINC000491687051 388311049 /nfs/dbraw/zinc/31/10/49/388311049.db2.gz UEVFQEVKTQJQQK-SREVYHEPSA-N 0 3 242.319 0.564 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C\CN(C)C)CC[S@@]1=O ZINC000491854292 388325087 /nfs/dbraw/zinc/32/50/87/388325087.db2.gz XRDXPYGFTJXMPF-RVVRRQGASA-N 0 3 244.360 0.084 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1ccc(C(N)=O)cc1 ZINC000491865741 388325127 /nfs/dbraw/zinc/32/51/27/388325127.db2.gz IDVKAWVOBGWQFU-ONEGZZNKSA-N 0 3 247.298 0.842 20 0 BCADHN CN(C)C/C=C\C(=O)Nc1cnn(C)c1 ZINC000491874753 388325883 /nfs/dbraw/zinc/32/58/83/388325883.db2.gz WYTGCLDHKIHSPW-PLNGDYQASA-N 0 3 208.265 0.476 20 0 BCADHN CCn1nccc1NC(=O)/C=C\CN(C)C ZINC000491911066 388327324 /nfs/dbraw/zinc/32/73/24/388327324.db2.gz ZLPSHZHBCRQQEZ-WAYWQWQTSA-N 0 3 222.292 0.959 20 0 BCADHN COCCN(CCN(C)C)C(=O)/C=C\C1CC1 ZINC000491923078 388327887 /nfs/dbraw/zinc/32/78/87/388327887.db2.gz AJVOFPMNPBCCTB-SREVYHEPSA-N 0 3 240.347 0.989 20 0 BCADHN C[C@@H]1COC[C@H](C)N1C(=O)/C=C\CN(C)C ZINC000491928785 388328188 /nfs/dbraw/zinc/32/81/88/388328188.db2.gz ZOTMSCQRWUAQJH-UORZZXJBSA-N 0 3 226.320 0.740 20 0 BCADHN COC[C@@H](NC(=O)/C=C\CN(C)C)C(C)C ZINC000491940107 388328583 /nfs/dbraw/zinc/32/85/83/388328583.db2.gz PUYDHQRKTLIPEG-JMEBYUIHSA-N 0 3 228.336 0.891 20 0 BCADHN CN(C)C/C=C\C(=O)NC[C@H]1CCCC1=O ZINC000491984617 388330573 /nfs/dbraw/zinc/33/05/73/388330573.db2.gz QGSUXYLOGLIERB-ISGFRBBESA-N 0 3 224.304 0.590 20 0 BCADHN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CN ZINC000490944227 388261435 /nfs/dbraw/zinc/26/14/35/388261435.db2.gz QFEKCIUDJFIBSD-SSDOTTSWSA-N 0 3 224.308 0.043 20 0 BCADHN Cc1n[nH]cc1CN[C@@H]1C[C@H](O)C1(C)C ZINC000163343416 388261675 /nfs/dbraw/zinc/26/16/75/388261675.db2.gz ODLWMTPWJZVHJD-ZJUUUORDSA-N 0 3 209.293 0.967 20 0 BCADHN CN1CC[C@](O)(CNC(=O)/C=C/c2ccc[nH]2)C1 ZINC000491997453 388330891 /nfs/dbraw/zinc/33/08/91/388330891.db2.gz FQJDULPDFWWWGQ-IHVVCDCBSA-N 0 3 249.314 0.211 20 0 BCADHN CON1CCC(NC[C@@H](O)C(F)(F)F)CC1 ZINC000323471452 388264684 /nfs/dbraw/zinc/26/46/84/388264684.db2.gz JTPXUVULOSDWHL-MRVPVSSYSA-N 0 3 242.241 0.525 20 0 BCADHN C[C@@H](N(C)CC(=O)NCC1CCC1)C(C)(C)O ZINC000451363810 388264883 /nfs/dbraw/zinc/26/48/83/388264883.db2.gz UISIIWYDFDRJHN-SNVBAGLBSA-N 0 3 242.363 0.994 20 0 BCADHN OCCOCCN1CCC(CF)CC1 ZINC000451390116 388268548 /nfs/dbraw/zinc/26/85/48/388268548.db2.gz YHNIAFAQKWAYIK-UHFFFAOYSA-N 0 3 205.273 0.677 20 0 BCADHN Cn1nccc1CN[C@H]1C[C@H](O)C1(C)C ZINC000163370297 388269205 /nfs/dbraw/zinc/26/92/05/388269205.db2.gz TWIFPTSCKDWFNW-UWVGGRQHSA-N 0 3 209.293 0.669 20 0 BCADHN Cn1nccc1CN[C@@H]1C[C@H](O)C1(C)C ZINC000163370172 388269253 /nfs/dbraw/zinc/26/92/53/388269253.db2.gz TWIFPTSCKDWFNW-ZJUUUORDSA-N 0 3 209.293 0.669 20 0 BCADHN CC[C@@]1(CO)CCCN1C(=O)/C=C\CN(C)C ZINC000492003480 388331129 /nfs/dbraw/zinc/33/11/29/388331129.db2.gz RIWFHZMQDKIUQO-VGVVRCBHSA-N 0 3 240.347 0.868 20 0 BCADHN COC[C@H](C)N1CC[C@@](O)(C(F)F)C1 ZINC000451438245 388272978 /nfs/dbraw/zinc/27/29/78/388272978.db2.gz UPDJHLUGLGYYHF-CBAPKCEASA-N 0 3 209.236 0.723 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC[C@@H](O)[C@H]1C ZINC000451454613 388274871 /nfs/dbraw/zinc/27/48/71/388274871.db2.gz KCJAKQOXWAFSTD-JHJVBQTASA-N 0 3 242.363 0.552 20 0 BCADHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)NC2CC2)C1(C)C ZINC000451516852 388278583 /nfs/dbraw/zinc/27/85/83/388278583.db2.gz ZJNQKSGHJPOHRZ-XXILOJSOSA-N 0 3 240.347 0.914 20 0 BCADHN CC(=O)C[C@@H](C)NC(=O)/C=C\CN(C)C ZINC000492285655 388340323 /nfs/dbraw/zinc/34/03/23/388340323.db2.gz ZRRMXOSHWZRXOF-SSJHQANKSA-N 0 3 212.293 0.588 20 0 BCADHN CC(=O)C[C@H](C)NC(=O)/C=C/CN(C)C ZINC000492285654 388340487 /nfs/dbraw/zinc/34/04/87/388340487.db2.gz ZRRMXOSHWZRXOF-CYNONHLPSA-N 0 3 212.293 0.588 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H]1CC(C)(C)OC1=O ZINC000492300328 388340843 /nfs/dbraw/zinc/34/08/43/388340843.db2.gz QOLQAQIWGQDIAO-SSJHQANKSA-N 0 3 240.303 0.315 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC(CCO)CC1 ZINC000492303667 388341012 /nfs/dbraw/zinc/34/10/12/388341012.db2.gz INDKAOQTOKSBOM-ARJAWSKDSA-N 0 3 240.347 0.725 20 0 BCADHN CN(C)C/C=C\C(=O)N1CCC[C@@](C)(O)C1 ZINC000492315204 388341133 /nfs/dbraw/zinc/34/11/33/388341133.db2.gz AIWHSDOYLNHNFA-TXNVCOODSA-N 0 3 226.320 0.478 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H](CO)c1ccccc1 ZINC000492357159 388342454 /nfs/dbraw/zinc/34/24/54/388342454.db2.gz GWDPLXLCAKHLAF-XURPKSDJSA-N 0 3 248.326 0.954 20 0 BCADHN COc1cncc(/C=C\C(=O)NCCN(C)C)c1 ZINC000492411666 388343644 /nfs/dbraw/zinc/34/36/44/388343644.db2.gz YPNYWKQATKBCRK-PLNGDYQASA-N 0 3 249.314 0.781 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CC[C@H](OC)C1 ZINC000233315260 388345254 /nfs/dbraw/zinc/34/52/54/388345254.db2.gz BELYQWJSBLREBK-GXSJLCMTSA-N 0 3 214.309 0.751 20 0 BCADHN CNC(=O)CCNCc1ccc2[nH]cnc2c1 ZINC000524114633 388346867 /nfs/dbraw/zinc/34/68/67/388346867.db2.gz GPWZJGPVLCUSFE-UHFFFAOYSA-N 0 3 232.287 0.789 20 0 BCADHN CNC(=O)CCNCc1ccc2nc[nH]c2c1 ZINC000524114633 388346869 /nfs/dbraw/zinc/34/68/69/388346869.db2.gz GPWZJGPVLCUSFE-UHFFFAOYSA-N 0 3 232.287 0.789 20 0 BCADHN C[C@H]1OCC[C@H]1NC(=O)NC1CCN(C)CC1 ZINC000131609884 388347879 /nfs/dbraw/zinc/34/78/79/388347879.db2.gz HDYXPFNNUBDOQT-MWLCHTKSSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H](N[C@H]1CCC[C@@H]1O)c1ccnn1C ZINC000193003854 388349058 /nfs/dbraw/zinc/34/90/58/388349058.db2.gz ZGNYQFZGTSMKDL-YWVKMMECSA-N 0 3 209.293 0.984 20 0 BCADHN CNCC(=O)N[C@@H](c1ncc[nH]1)C(C)C ZINC000516568532 388349147 /nfs/dbraw/zinc/34/91/47/388349147.db2.gz KFRFSENRDBILSM-SECBINFHSA-N 0 3 210.281 0.442 20 0 BCADHN CCN1CCN(C(=O)[C@@H]2NCC2(C)C)CC1 ZINC000646391856 388349393 /nfs/dbraw/zinc/34/93/93/388349393.db2.gz ZPCFGJZFUFQZSB-JTQLQIEISA-N 0 3 225.336 0.149 20 0 BCADHN CS(=O)(=O)NCCN1C[C@@H]2CCC[C@@H]2C1 ZINC000153002612 388349422 /nfs/dbraw/zinc/34/94/22/388349422.db2.gz JSUZVCBYCRYPLK-AOOOYVTPSA-N 0 3 232.349 0.268 20 0 BCADHN CC(C)[C@H](O)C(C)(C)CNC(=O)CN ZINC000516570990 388350364 /nfs/dbraw/zinc/35/03/64/388350364.db2.gz KCVFIVOEXTZFLM-VIFPVBQESA-N 0 3 202.298 0.104 20 0 BCADHN C[NH2+][C@@H](C)CNC(=O)c1cc(OC)ccc1[O-] ZINC000234426441 388355692 /nfs/dbraw/zinc/35/56/92/388355692.db2.gz UCTVKZUBINBSJF-QMMMGPOBSA-N 0 3 238.287 0.739 20 0 BCADHN CN(C[C@H]1CCCOC1)C(=O)[C@H]1NCC1(C)C ZINC000646432069 388358446 /nfs/dbraw/zinc/35/84/46/388358446.db2.gz JJESRFPUVKDPKD-GHMZBOCLSA-N 0 3 240.347 0.869 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000646439044 388358913 /nfs/dbraw/zinc/35/89/13/388358913.db2.gz PMQQCYYCQPNVGD-OPRDCNLKSA-N 0 3 226.320 0.404 20 0 BCADHN C=Cn1cc(CNC[C@@H](O)COC)cn1 ZINC000234727488 388359052 /nfs/dbraw/zinc/35/90/52/388359052.db2.gz XIYHUIHKMJUDQT-SNVBAGLBSA-N 0 3 211.265 0.081 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCCc1ncc[nH]1 ZINC000646441093 388359621 /nfs/dbraw/zinc/35/96/21/388359621.db2.gz ZMQDSKQRRMONQM-SECBINFHSA-N 0 3 222.292 0.066 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@H](N)CC(C)C ZINC000646440977 388359934 /nfs/dbraw/zinc/35/99/34/388359934.db2.gz SISVHECSOWITTH-AXFHLTTASA-N 0 3 230.352 0.883 20 0 BCADHN CCC(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000646449496 388360269 /nfs/dbraw/zinc/36/02/69/388360269.db2.gz NURJUJZHDQPVFU-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN COC[C@H](CO)N[C@H](C)c1ccncc1 ZINC000234841384 388361060 /nfs/dbraw/zinc/36/10/60/388361060.db2.gz VDUQAZQNIVSRKM-KOLCDFICSA-N 0 3 210.277 0.740 20 0 BCADHN CCN(C(=O)CN1CC[C@@H](C)C1)[C@@H]1CCOC1 ZINC000572615803 388361377 /nfs/dbraw/zinc/36/13/77/388361377.db2.gz GOMAAQHDFVUVFN-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@H](C)CNC(=O)[C@@H]1NCC1(C)C ZINC000646456889 388361641 /nfs/dbraw/zinc/36/16/41/388361641.db2.gz PTKCXRVHLITYET-SFYZADRCSA-N 0 3 200.282 0.136 20 0 BCADHN COC[C@@H](CO)NCc1ccc(F)cc1 ZINC000234870529 388362017 /nfs/dbraw/zinc/36/20/17/388362017.db2.gz YKMOISNLWBRTTB-LLVKDONJSA-N 0 3 213.252 0.923 20 0 BCADHN Cc1c[nH]nc1CNCCN1CCCC1 ZINC000289915228 388364361 /nfs/dbraw/zinc/36/43/61/388364361.db2.gz OEWRXARGVWJQBR-UHFFFAOYSA-N 0 3 208.309 0.904 20 0 BCADHN COC[C@H](CO)N[C@H]1CS[C@H](C)C1 ZINC000300393486 388364487 /nfs/dbraw/zinc/36/44/87/388364487.db2.gz DUGLJDGUSLSBHD-HLTSFMKQSA-N 0 3 205.323 0.477 20 0 BCADHN C[NH+]1CCC(C)(CNC(=O)c2c[n-]nn2)CC1 ZINC000227507797 388364794 /nfs/dbraw/zinc/36/47/94/388364794.db2.gz XVBVTUIPXZEHFM-UHFFFAOYSA-N 0 3 237.307 0.266 20 0 BCADHN C[NH+]1CCC(C)(CNC(=O)c2cnn[n-]2)CC1 ZINC000227507797 388364796 /nfs/dbraw/zinc/36/47/96/388364796.db2.gz XVBVTUIPXZEHFM-UHFFFAOYSA-N 0 3 237.307 0.266 20 0 BCADHN C[NH+]1CCC(C)(CNC(=O)c2cn[n-]n2)CC1 ZINC000227507797 388364798 /nfs/dbraw/zinc/36/47/98/388364798.db2.gz XVBVTUIPXZEHFM-UHFFFAOYSA-N 0 3 237.307 0.266 20 0 BCADHN C[C@H](CO)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000305141701 388365561 /nfs/dbraw/zinc/36/55/61/388365561.db2.gz HZGUJWAJIXATEU-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@@H]2NCC2(C)C)CC[C@H]1C ZINC000646486041 388365714 /nfs/dbraw/zinc/36/57/14/388365714.db2.gz RWLZXBJWIGEZED-MXWKQRLJSA-N 0 3 240.347 0.868 20 0 BCADHN COC1(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000648722332 388368930 /nfs/dbraw/zinc/36/89/30/388368930.db2.gz OTVHAPGRXDGWDL-UHFFFAOYSA-N 0 3 238.331 0.908 20 0 BCADHN C[C@H](CNC(=O)c1cccnc1F)N(C)C ZINC000235466856 388369394 /nfs/dbraw/zinc/36/93/94/388369394.db2.gz JWNOSKXUDLEFFU-MRVPVSSYSA-N 0 3 225.267 0.901 20 0 BCADHN NC(=O)[C@H]1CCCN1C[C@H]1CCCC[C@@H]1O ZINC000573005307 388405389 /nfs/dbraw/zinc/40/53/89/388405389.db2.gz LBHISFANAJODHM-MXWKQRLJSA-N 0 3 226.320 0.487 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C[S@](C)=O ZINC000164083008 388373747 /nfs/dbraw/zinc/37/37/47/388373747.db2.gz VSCKKYMOKXNMFS-GKINPVFPSA-N 0 3 234.365 0.243 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2ccon2)C1 ZINC000524720138 388375825 /nfs/dbraw/zinc/37/58/25/388375825.db2.gz ZBKIROCPQMRKQD-SECBINFHSA-N 0 3 223.276 0.746 20 0 BCADHN Cc1ccc(CN2C[C@@H](O)[C@H](O)C2)cc1 ZINC000235888138 388376305 /nfs/dbraw/zinc/37/63/05/388376305.db2.gz XZSYLKXDYSPJAR-VXGBXAGGSA-N 0 3 207.273 0.532 20 0 BCADHN Cc1ncncc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000524720446 388376399 /nfs/dbraw/zinc/37/63/99/388376399.db2.gz QTKJVCHNLKWJEE-SNVBAGLBSA-N 0 3 248.330 0.857 20 0 BCADHN Cc1cn[nH]c1CNCCS(=O)(=O)C(C)C ZINC000291491042 388376462 /nfs/dbraw/zinc/37/64/62/388376462.db2.gz GQMIBLIIJNVUNT-UHFFFAOYSA-N 0 3 245.348 0.631 20 0 BCADHN Cn1cncc1CNC[C@@H]1CC[C@H](O)C1 ZINC000236086917 388377660 /nfs/dbraw/zinc/37/76/60/388377660.db2.gz FKGINDCLAKCBEO-KOLCDFICSA-N 0 3 209.293 0.671 20 0 BCADHN CCc1cc(N2CC[C@@H](CO)[C@H](O)C2)ccn1 ZINC000572829267 388379859 /nfs/dbraw/zinc/37/98/59/388379859.db2.gz QXLXDDNHFMQAKU-GXFFZTMASA-N 0 3 236.315 0.824 20 0 BCADHN CCc1ccccc1NC(=O)C(=O)NC1CNC1 ZINC000572851302 388381507 /nfs/dbraw/zinc/38/15/07/388381507.db2.gz GXLLJSYIQDFEGU-UHFFFAOYSA-N 0 3 247.298 0.276 20 0 BCADHN CC(=O)N1CC(N[C@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000572855941 388381910 /nfs/dbraw/zinc/38/19/10/388381910.db2.gz SGVBSMOKSDUKPL-ONGXEEELSA-N 0 3 237.347 0.432 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@H](O)C(C)(C)C ZINC000236759675 388382685 /nfs/dbraw/zinc/38/26/85/388382685.db2.gz IRKQANUKYGLHHX-IUCAKERBSA-N 0 3 216.325 0.493 20 0 BCADHN CC[C@H](N)C(=O)NCc1ncnn1C(C)C ZINC000572876364 388383525 /nfs/dbraw/zinc/38/35/25/388383525.db2.gz BKELWXYWXJPTFV-QMMMGPOBSA-N 0 3 225.296 0.213 20 0 BCADHN CCCC[C@H](N)C(=O)NC[C@H](C)C(=O)OC ZINC000236808559 388383749 /nfs/dbraw/zinc/38/37/49/388383749.db2.gz BBXIZLOVGCOKOX-IUCAKERBSA-N 0 3 230.308 0.429 20 0 BCADHN Cc1nocc1CNC[C@H]1CC[C@@H](CO)O1 ZINC000292916383 388384087 /nfs/dbraw/zinc/38/40/87/388384087.db2.gz HVJBGERBOODAAH-MNOVXSKESA-N 0 3 226.276 0.613 20 0 BCADHN CCO[C@@H]1C[C@@H](N(C)C(=O)CN)C1(C)C ZINC000236847701 388384254 /nfs/dbraw/zinc/38/42/54/388384254.db2.gz WMCQDUBNMNQATN-RKDXNWHRSA-N 0 3 214.309 0.607 20 0 BCADHN CC[C@H](NC(=O)[C@H](C)N)[C@@H]1CCCO1 ZINC000237031719 388384263 /nfs/dbraw/zinc/38/42/63/388384263.db2.gz FINDJPMOXFMGOG-CIUDSAMLSA-N 0 3 200.282 0.407 20 0 BCADHN CCO[C@@H]1C[C@H](NC(=O)CN)C12CCC2 ZINC000236859033 388384526 /nfs/dbraw/zinc/38/45/26/388384526.db2.gz WVBRENYMBWGDFX-DTWKUNHWSA-N 0 3 212.293 0.409 20 0 BCADHN CCC[C@@H](NC(=O)CN)c1nnc2ccccn21 ZINC000236838258 388384998 /nfs/dbraw/zinc/38/49/98/388384998.db2.gz XHGGMBPUPZCLGJ-SECBINFHSA-N 0 3 247.302 0.645 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCN[C@@H](C)C1 ZINC000236889942 388385560 /nfs/dbraw/zinc/38/55/60/388385560.db2.gz ZSVVSUPYOKMEHC-UTLUCORTSA-N 0 3 213.325 0.180 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000236907536 388385840 /nfs/dbraw/zinc/38/58/40/388385840.db2.gz SNBRLCANBHUBIH-HOSYDEDBSA-N 0 3 228.336 0.781 20 0 BCADHN CC[C@@H](NC(=O)CNC)c1ccncc1 ZINC000236901395 388386122 /nfs/dbraw/zinc/38/61/22/388386122.db2.gz MCPYVVVDHBADKP-SNVBAGLBSA-N 0 3 207.277 0.868 20 0 BCADHN CC[C@@H](C(=O)N1C[C@H]2[C@H](CO)[C@H]2C1)N(C)C ZINC000646663664 388406108 /nfs/dbraw/zinc/40/61/08/388406108.db2.gz JQNLHXKZIYFNMM-ZDCRXTMVSA-N 0 3 226.320 0.023 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000236934620 388386797 /nfs/dbraw/zinc/38/67/97/388386797.db2.gz UFUQTHIUNRXQME-IUCAKERBSA-N 0 3 241.335 0.239 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000236946987 388386873 /nfs/dbraw/zinc/38/68/73/388386873.db2.gz UFUQTHIUNRXQME-BDAKNGLRSA-N 0 3 241.335 0.239 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000236936238 388386989 /nfs/dbraw/zinc/38/69/89/388386989.db2.gz DTPGHLBYXGZKQO-QWRGUYRKSA-N 0 3 234.299 0.844 20 0 BCADHN CC(C)[C@@](C)(O)CNCc1cncnc1 ZINC000171842473 388406143 /nfs/dbraw/zinc/40/61/43/388406143.db2.gz MVOAKIPSBFERRI-NSHDSACASA-N 0 3 209.293 0.973 20 0 BCADHN CN(C)CCNC(=O)Cc1ccncc1Cl ZINC000646578658 388387268 /nfs/dbraw/zinc/38/72/68/388387268.db2.gz YGETXYFKFYGTKO-UHFFFAOYSA-N 0 3 241.722 0.955 20 0 BCADHN NCc1cccc(NC(=O)[C@H]2CCNC(=O)C2)c1 ZINC000646578107 388387671 /nfs/dbraw/zinc/38/76/71/388387671.db2.gz JXZZNBCWRQKOAG-JTQLQIEISA-N 0 3 247.298 0.610 20 0 BCADHN C[C@H](O)CCN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000228823728 388388155 /nfs/dbraw/zinc/38/81/55/388388155.db2.gz CUJKATIRQGKNTE-AXFHLTTASA-N 0 3 200.326 0.782 20 0 BCADHN c1ncc(CNCCN2CCSCC2)cn1 ZINC000163981991 388388319 /nfs/dbraw/zinc/38/83/19/388388319.db2.gz ZBUOUJKAWHYNCJ-UHFFFAOYSA-N 0 3 238.360 0.615 20 0 BCADHN CC(=O)NCCCN1CCC(CC(N)=O)CC1 ZINC000164962768 388388373 /nfs/dbraw/zinc/38/83/73/388388373.db2.gz AOKLYISADHHBBJ-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN CC[C@@H](C)CS(=O)(=O)N1CCCNCC1 ZINC000237015983 388388775 /nfs/dbraw/zinc/38/87/75/388388775.db2.gz CRZCZPWFSJJGRJ-SNVBAGLBSA-N 0 3 234.365 0.658 20 0 BCADHN COC(=O)CCCCNC(=O)[C@@H]1CCCCN1 ZINC000237148621 388391060 /nfs/dbraw/zinc/39/10/60/388391060.db2.gz IMCZUIFGVREVIH-JTQLQIEISA-N 0 3 242.319 0.588 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1C[C@@H]1N)c1cscn1 ZINC000520255472 256667987 /nfs/dbraw/zinc/66/79/87/256667987.db2.gz NJCHRTPQZYERDP-QYNIQEEDSA-N 0 3 211.290 0.668 20 0 BCADHN CCOCC1(C(=O)N2CCCNCC2)CC1 ZINC000646597677 388392898 /nfs/dbraw/zinc/39/28/98/388392898.db2.gz ZHJQWFDLLYIFAK-UHFFFAOYSA-N 0 3 226.320 0.625 20 0 BCADHN COc1ccccc1[C@H](N)CNC(=O)[C@@H](C)N ZINC000646600427 388393197 /nfs/dbraw/zinc/39/31/97/388393197.db2.gz LYIOQPQVCBJRQQ-PSASIEDQSA-N 0 3 237.303 0.158 20 0 BCADHN CNCC(=O)NC[C@@H](N)c1ccccc1OC ZINC000646600714 388393324 /nfs/dbraw/zinc/39/33/24/388393324.db2.gz OFIFLPYDFOLQPE-SNVBAGLBSA-N 0 3 237.303 0.031 20 0 BCADHN COc1ccccc1[C@@H](N)CNC(=O)[C@@H](C)N ZINC000646600428 388393338 /nfs/dbraw/zinc/39/33/38/388393338.db2.gz LYIOQPQVCBJRQQ-SCZZXKLOSA-N 0 3 237.303 0.158 20 0 BCADHN CSC[C@H](C)NC(=O)CNC[C@@H]1CCCO1 ZINC000237368554 388393737 /nfs/dbraw/zinc/39/37/37/388393737.db2.gz KPSGNERUQWRZMR-UWVGGRQHSA-N 0 3 246.376 0.623 20 0 BCADHN CC(C)[C@H](N)c1cn(Cc2ccno2)nn1 ZINC000300842468 388397116 /nfs/dbraw/zinc/39/71/16/388397116.db2.gz DJSICUYENTZWMK-JTQLQIEISA-N 0 3 221.264 0.970 20 0 BCADHN O=S(=O)(Cc1ccccc1F)NC1CNC1 ZINC000237840789 388398970 /nfs/dbraw/zinc/39/89/70/388398970.db2.gz POFMMOGSRHLRGB-UHFFFAOYSA-N 0 3 244.291 0.217 20 0 BCADHN CC[C@H](C(N)=O)n1cc([C@H](N)C(C)C)nn1 ZINC000300863454 388399295 /nfs/dbraw/zinc/39/92/95/388399295.db2.gz GTKWEAYRELVSCK-RKDXNWHRSA-N 0 3 225.296 0.370 20 0 BCADHN Cn1cncc1CNC[C@@H](O)COCC1CC1 ZINC000237931686 388399287 /nfs/dbraw/zinc/39/92/87/388399287.db2.gz MJANQNVCGXBPKY-GFCCVEGCSA-N 0 3 239.319 0.297 20 0 BCADHN CC[C@]1(C)CCN([C@H]2CC(=O)NC2=O)C1 ZINC000572981209 388402424 /nfs/dbraw/zinc/40/24/24/388402424.db2.gz VQMJZFWJSZWSRM-GZMMTYOYSA-N 0 3 210.277 0.524 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H](O)C1CCC1 ZINC000315770072 388402676 /nfs/dbraw/zinc/40/26/76/388402676.db2.gz PSJKIRIRLFBVLF-LLVKDONJSA-N 0 3 209.293 0.969 20 0 BCADHN CC[C@H](N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C(N)=O ZINC000528750601 388402731 /nfs/dbraw/zinc/40/27/31/388402731.db2.gz BBXKNUCUUPUEOZ-SVSWQMSJSA-N 0 3 214.309 0.652 20 0 BCADHN CC[C@H](N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C(N)=O ZINC000528750603 388402938 /nfs/dbraw/zinc/40/29/38/388402938.db2.gz BBXKNUCUUPUEOZ-WYCDGMCDSA-N 0 3 214.309 0.652 20 0 BCADHN Cc1cc(=O)n(C)cc1NC(=O)/C=C\CN(C)C ZINC000492084849 388333989 /nfs/dbraw/zinc/33/39/89/388333989.db2.gz KMFLRBOAYZGGMW-WAYWQWQTSA-N 0 3 249.314 0.750 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@H]1COC(C)(C)O1 ZINC000492184721 388337810 /nfs/dbraw/zinc/33/78/10/388337810.db2.gz VRJZCDVFCSCFDW-PORFMDCZSA-N 0 3 242.319 0.372 20 0 BCADHN CSC[C@H](O)CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000492192604 388338062 /nfs/dbraw/zinc/33/80/62/388338062.db2.gz HVYPGFRHYFJGKX-GARJFASQSA-N 0 3 232.393 0.735 20 0 BCADHN CN(C)C/C=C\C(=O)NCC1(CCO)CCC1 ZINC000492204324 388338176 /nfs/dbraw/zinc/33/81/76/388338176.db2.gz YVPGJVTVAWANKO-HYXAFXHYSA-N 0 3 240.347 0.773 20 0 BCADHN CN(C)CCNC(=O)/C=C/C1CCOCC1 ZINC000492203642 388338274 /nfs/dbraw/zinc/33/82/74/388338274.db2.gz DKUWCOBPDPEWMC-ONEGZZNKSA-N 0 3 226.320 0.647 20 0 BCADHN CN(C)CCNC(=O)/C=C\C1CCOCC1 ZINC000492203641 388338279 /nfs/dbraw/zinc/33/82/79/388338279.db2.gz DKUWCOBPDPEWMC-ARJAWSKDSA-N 0 3 226.320 0.647 20 0 BCADHN C[C@H](O)[C@@H]1CCCN(C(=O)/C=C\CN(C)C)C1 ZINC000492217509 388338593 /nfs/dbraw/zinc/33/85/93/388338593.db2.gz FCYCPLDQMKRXJZ-ZADDAZQUSA-N 0 3 240.347 0.724 20 0 BCADHN COC[C@H](C)CN1CCN2C(=O)OCC[C@H]2C1 ZINC000492230337 388338610 /nfs/dbraw/zinc/33/86/10/388338610.db2.gz UDVKXCPDQRKCGZ-MNOVXSKESA-N 0 3 242.319 0.795 20 0 BCADHN CC[C@@H](CCO)NC(=O)/C=C\CN(C)C ZINC000492260687 388339643 /nfs/dbraw/zinc/33/96/43/388339643.db2.gz CGWAWRBXDRMBHG-OMMCCPJFSA-N 0 3 214.309 0.381 20 0 BCADHN CSC[C@@H](CCO)NC(=O)/C=C\CN(C)C ZINC000492273244 388339941 /nfs/dbraw/zinc/33/99/41/388339941.db2.gz OQBMRKWLRUMMEK-UMCURTJPSA-N 0 3 246.376 0.334 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCCC[C@H]1CCO ZINC000492268038 388339985 /nfs/dbraw/zinc/33/99/85/388339985.db2.gz DCDNCPDDRHXQCQ-PZBABLGHSA-N 0 3 240.347 0.868 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000513670726 388439730 /nfs/dbraw/zinc/43/97/30/388439730.db2.gz ASIWXSBAXDUESC-DKCNOQQISA-N 0 3 248.273 0.070 20 0 BCADHN Cc1nnc2ccc(NCCN(C)C)nn12 ZINC000298807510 388440545 /nfs/dbraw/zinc/44/05/45/388440545.db2.gz VQPIDNRQGJBOLC-UHFFFAOYSA-N 0 3 220.280 0.406 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1cn[nH]c1 ZINC000308670504 388446866 /nfs/dbraw/zinc/44/68/66/388446866.db2.gz GYYPCZWPQKPVGC-UHFFFAOYSA-N 0 3 210.281 0.480 20 0 BCADHN C[NH+](C)CC(C)(C)NC(=O)c1cncc([O-])c1 ZINC000308669769 388447004 /nfs/dbraw/zinc/44/70/04/388447004.db2.gz FESOICNQHACMHO-UHFFFAOYSA-N 0 3 237.303 0.857 20 0 BCADHN C[C@H]1CN(C[C@@H](O)CC2(O)CCC2)CCCO1 ZINC000528367529 388452032 /nfs/dbraw/zinc/45/20/32/388452032.db2.gz JINCDWUEPKDHFW-RYUDHWBXSA-N 0 3 243.347 0.763 20 0 BCADHN CC1(C)[C@@H]2CN(C(=O)C3(N)CCC3)C[C@@H]21 ZINC000335630770 388452501 /nfs/dbraw/zinc/45/25/01/388452501.db2.gz HURRCNMGRVHORT-DTORHVGOSA-N 0 3 208.305 0.982 20 0 BCADHN Cc1ccc(CCCNC2(C(N)=O)CC2)cn1 ZINC000525992098 388452706 /nfs/dbraw/zinc/45/27/06/388452706.db2.gz PRCMYGTUYLZMKS-UHFFFAOYSA-N 0 3 233.315 0.930 20 0 BCADHN NC(C(=O)N1CCSCC1)C(F)(F)F ZINC000261536774 135172557 /nfs/dbraw/zinc/17/25/57/135172557.db2.gz SWILGYKCLCLUED-RXMQYKEDSA-N 0 3 228.239 0.451 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)C2=CCOCC2)C1 ZINC000527262162 388455869 /nfs/dbraw/zinc/45/58/69/388455869.db2.gz VJNZEZGPTQHGNE-LLVKDONJSA-N 0 3 238.331 0.791 20 0 BCADHN COC[C@H]1CCN1C[C@@H](O)CSC ZINC000339283497 388480963 /nfs/dbraw/zinc/48/09/63/388480963.db2.gz CGNOSEFWKOFRAC-RKDXNWHRSA-N 0 3 205.323 0.431 20 0 BCADHN CN1CCC(C(=O)N2CCO[C@@H]3C[C@@H]32)CC1 ZINC000646749063 388456218 /nfs/dbraw/zinc/45/62/18/388456218.db2.gz YNCLSCYSACSWAF-WDEREUQCSA-N 0 3 224.304 0.328 20 0 BCADHN Cc1ccncc1CNC[C@@H]1COCCN1C ZINC000623713170 388456426 /nfs/dbraw/zinc/45/64/26/388456426.db2.gz USJUTBYQHOWCNS-CYBMUJFWSA-N 0 3 235.331 0.810 20 0 BCADHN CN(C)CCNC(=O)C[C@H]1CCCCO1 ZINC000062065921 388459722 /nfs/dbraw/zinc/45/97/22/388459722.db2.gz VBYACEABWBKCLP-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CO[C@H]1CCN(C[C@@H](O)CSC)C1 ZINC000336655150 388459791 /nfs/dbraw/zinc/45/97/91/388459791.db2.gz OLHJDGHKPPBBTM-BDAKNGLRSA-N 0 3 205.323 0.431 20 0 BCADHN Cc1n[nH]cc1CNCC[C@@H](C)[S@@](C)=O ZINC000132570952 388462527 /nfs/dbraw/zinc/46/25/27/388462527.db2.gz VZCQNQHZSLUESH-GLEZIHRCSA-N 0 3 229.349 0.965 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@H](N)CC(F)F ZINC000336676565 388462608 /nfs/dbraw/zinc/46/26/08/388462608.db2.gz HSDDRBOXOSQOMO-NKWVEPMBSA-N 0 3 224.251 0.246 20 0 BCADHN COC[C@H](NC(=O)[C@H](C)NC1CC1)C1CC1 ZINC000397354245 388463096 /nfs/dbraw/zinc/46/30/96/388463096.db2.gz JQSBRCHOIIFDQG-KWQFWETISA-N 0 3 226.320 0.668 20 0 BCADHN NC(C(=O)NCC(F)F)C(F)(F)F ZINC000336703224 388465656 /nfs/dbraw/zinc/46/56/56/388465656.db2.gz ZHYKQPGSORCRHA-GSVOUGTGSA-N 0 3 206.114 0.257 20 0 BCADHN C/C=C\C[C@H](CO)N[C@@H](C)CS(=O)(=O)CC ZINC000309973868 388471065 /nfs/dbraw/zinc/47/10/65/388471065.db2.gz RFBSAKHMQKRNOD-LQKZOZGNSA-N 0 3 249.376 0.726 20 0 BCADHN C[C@H](N[C@H]1CCC(=O)N(C)C1=O)[C@@H]1CCCO1 ZINC000336732578 388471170 /nfs/dbraw/zinc/47/11/70/388471170.db2.gz ZSOKRZZKAPJYDO-GUBZILKMSA-N 0 3 240.303 0.291 20 0 BCADHN O[C@@H](CNc1cnccn1)CN1CCCCC1 ZINC000193949962 388471750 /nfs/dbraw/zinc/47/17/50/388471750.db2.gz IHFRQGZNEXZVRC-NSHDSACASA-N 0 3 236.319 0.735 20 0 BCADHN CC(C)COCCN1C[C@@H](C)[C@@H](O)C1 ZINC000337328349 388472157 /nfs/dbraw/zinc/47/21/57/388472157.db2.gz YQHNDOBAIACGQP-MNOVXSKESA-N 0 3 201.310 0.972 20 0 BCADHN CC(C)COCCN1C[C@H](O)[C@@H](C)C1 ZINC000337328350 388472190 /nfs/dbraw/zinc/47/21/90/388472190.db2.gz YQHNDOBAIACGQP-QWRGUYRKSA-N 0 3 201.310 0.972 20 0 BCADHN C[C@@H]1[C@H](C(=O)N(C)c2nncs2)CCN1C ZINC000648862117 388472562 /nfs/dbraw/zinc/47/25/62/388472562.db2.gz BUOINMBWAHHYRF-HTQZYQBOSA-N 0 3 240.332 0.841 20 0 BCADHN COC(=O)CNC(=O)CN(C)CCC(C)C ZINC000193985001 388472617 /nfs/dbraw/zinc/47/26/17/388472617.db2.gz OIFFAASCPYDXMW-UHFFFAOYSA-N 0 3 230.308 0.254 20 0 BCADHN CC[C@H](O)CN1CCN(CCCF)CC1 ZINC000133972223 388473228 /nfs/dbraw/zinc/47/32/28/388473228.db2.gz JZODVBSOLZQPIZ-NSHDSACASA-N 0 3 218.316 0.735 20 0 BCADHN Cc1c(CN[C@@H]2CCO[C@H]2C)cnn1C ZINC000134246740 388475328 /nfs/dbraw/zinc/47/53/28/388475328.db2.gz WJRFBKKLQMHUOP-GXSJLCMTSA-N 0 3 209.293 0.996 20 0 BCADHN C[C@H](N(C)CC(=O)N1CCOCC1)C1(C)CC1 ZINC000177218215 388477705 /nfs/dbraw/zinc/47/77/05/388477705.db2.gz BXVREZPJHCTJLA-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@@H](C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000524774569 388408752 /nfs/dbraw/zinc/40/87/52/388408752.db2.gz OZINCIZFZRUWDU-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN CCN1CCC[C@@H](NC(=O)CC(=O)N(C)C)C1 ZINC000174645272 388408851 /nfs/dbraw/zinc/40/88/51/388408851.db2.gz RQEIECQTIASDHL-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@H]2CCOC2)C1 ZINC000524775840 388408896 /nfs/dbraw/zinc/40/88/96/388408896.db2.gz VVVKYFWSAOIRPS-QWRGUYRKSA-N 0 3 226.320 0.481 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000372212970 388410049 /nfs/dbraw/zinc/41/00/49/388410049.db2.gz SSJCOAHGHWEQAN-NEPJUHHUSA-N 0 3 240.347 0.999 20 0 BCADHN COCC[C@H](C)NCc1ccnc(OC)n1 ZINC000295245261 388410202 /nfs/dbraw/zinc/41/02/02/388410202.db2.gz TVDPJZZZPROZLE-VIFPVBQESA-N 0 3 225.292 1.000 20 0 BCADHN OC[C@@H]1CN(C/C=C\c2ccccc2)C[C@@H]1O ZINC000316378287 388411028 /nfs/dbraw/zinc/41/10/28/388411028.db2.gz MLSODXLGQQJNRR-KUTPXYQMSA-N 0 3 233.311 0.985 20 0 BCADHN COc1nccc(CN[C@@H](CCO)C(C)C)n1 ZINC000295664148 388413279 /nfs/dbraw/zinc/41/32/79/388413279.db2.gz JOZMBTRTGYLYLN-NSHDSACASA-N 0 3 239.319 0.982 20 0 BCADHN CC[C@H]1CN(Cc2cccnc2N)C[C@@H]1O ZINC000295894667 388416185 /nfs/dbraw/zinc/41/61/85/388416185.db2.gz BYTJYDHADDBMPH-ONGXEEELSA-N 0 3 221.304 0.867 20 0 BCADHN CC(C)c1nc(CN[C@H](C)[C@H](C)O)n[nH]1 ZINC000573084169 388417722 /nfs/dbraw/zinc/41/77/22/388417722.db2.gz UWHRNEFTKRFFOT-SFYZADRCSA-N 0 3 212.297 0.787 20 0 BCADHN CC(C)c1nc(CN[C@H](C)[C@@H](C)O)n[nH]1 ZINC000573084164 388418995 /nfs/dbraw/zinc/41/89/95/388418995.db2.gz UWHRNEFTKRFFOT-HTQZYQBOSA-N 0 3 212.297 0.787 20 0 BCADHN C[C@@H]1OCC[C@@]1(O)CNCc1ccns1 ZINC000404466640 388420772 /nfs/dbraw/zinc/42/07/72/388420772.db2.gz WLRSKGJZBXWZJD-WCBMZHEXSA-N 0 3 228.317 0.773 20 0 BCADHN CC(C)N(CC1CC1)C(=O)COC1CNC1 ZINC000573121827 388421751 /nfs/dbraw/zinc/42/17/51/388421751.db2.gz ZXTAUXPRMVLCHC-UHFFFAOYSA-N 0 3 226.320 0.622 20 0 BCADHN CCOCCn1cc([C@@H](N)C(C)C)nn1 ZINC000300881021 388422220 /nfs/dbraw/zinc/42/22/20/388422220.db2.gz IXGBBKURCKCXFA-JTQLQIEISA-N 0 3 212.297 0.970 20 0 BCADHN COCCCC(=O)NCCN1CC[C@@H](C)C1 ZINC000525293354 388424343 /nfs/dbraw/zinc/42/43/43/388424343.db2.gz QODSTVAYUDGMMV-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CCCN(C)CC(=O)NCCN1CC[C@@H](C)C1 ZINC000525292737 388424641 /nfs/dbraw/zinc/42/46/41/388424641.db2.gz WORQFCDTKUICHA-GFCCVEGCSA-N 0 3 241.379 0.786 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400088759 388425085 /nfs/dbraw/zinc/42/50/85/388425085.db2.gz WFIGBLISZGSNKI-HCWSGVFWSA-N 0 3 240.347 0.903 20 0 BCADHN CC(C(=O)N1CC[C@@H](C)[C@@H](C)C1)S(C)(=O)=O ZINC000245852685 388433613 /nfs/dbraw/zinc/43/36/13/388433613.db2.gz DAXFEKBREVYNCD-UTLUCORTSA-N 0 3 247.360 0.924 20 0 BCADHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)C1CC1 ZINC000246094563 388437949 /nfs/dbraw/zinc/43/79/49/388437949.db2.gz HAHNQUKKTHRMSR-GXSJLCMTSA-N 0 3 246.376 0.751 20 0 BCADHN O=C(CN[C@H](CO)C1CCCC1)N1CCCC1 ZINC000352703727 388537670 /nfs/dbraw/zinc/53/76/70/388537670.db2.gz CEINZAAPARMFJE-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC2(O)CCC2)[C@@H]1C ZINC000528512939 388537980 /nfs/dbraw/zinc/53/79/80/388537980.db2.gz OTATXKZXNRDOHY-GMTAPVOTSA-N 0 3 213.321 0.993 20 0 BCADHN Cc1cnn(C)c1CNCCc1cnccn1 ZINC000352708903 388538467 /nfs/dbraw/zinc/53/84/67/388538467.db2.gz YHKXNBXRFFCXEV-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN COC(=O)CSCCCN1CCN(C)CC1 ZINC000548475909 388541742 /nfs/dbraw/zinc/54/17/42/388541742.db2.gz OOELBYPVDBSXDK-UHFFFAOYSA-N 0 3 246.376 0.530 20 0 BCADHN CSCC[C@@H](N)C(=O)NC[C@@]1(C)CCOC1 ZINC000353664258 388541954 /nfs/dbraw/zinc/54/19/54/388541954.db2.gz ODIARQOKNMFXHH-MWLCHTKSSA-N 0 3 246.376 0.610 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1cc[nH]n1 ZINC000353662994 388542035 /nfs/dbraw/zinc/54/20/35/388542035.db2.gz KGWDQPKYXBFHTB-SCZZXKLOSA-N 0 3 224.308 0.742 20 0 BCADHN NC1(C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000517230428 388543564 /nfs/dbraw/zinc/54/35/64/388543564.db2.gz DSUWBVSUPBKWDY-UHFFFAOYSA-N 0 3 231.299 0.762 20 0 BCADHN C[C@@H](O)CCCN1CCSC[C@@H]1CO ZINC000354728711 388544498 /nfs/dbraw/zinc/54/44/98/388544498.db2.gz IHLLXXKVIMPFRC-ZJUUUORDSA-N 0 3 219.350 0.557 20 0 BCADHN C[C@H](O)CCCN1CCSC[C@H]1CO ZINC000354728710 388545184 /nfs/dbraw/zinc/54/51/84/388545184.db2.gz IHLLXXKVIMPFRC-VHSXEESVSA-N 0 3 219.350 0.557 20 0 BCADHN CSCCC(=O)NCC1(O)CCN(C)CC1 ZINC000354725330 388545539 /nfs/dbraw/zinc/54/55/39/388545539.db2.gz DZDKJNRMWADCCC-UHFFFAOYSA-N 0 3 246.376 0.312 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1cccnn1 ZINC000528563376 388547289 /nfs/dbraw/zinc/54/72/89/388547289.db2.gz WWAYGDDCMIYJSP-SECBINFHSA-N 0 3 220.276 0.301 20 0 BCADHN CCC[C@@]1(NC[C@@](C)(O)C(=O)OC)CCOC1 ZINC000356285969 388547715 /nfs/dbraw/zinc/54/77/15/388547715.db2.gz WEBYSDNRTYKDCZ-VXGBXAGGSA-N 0 3 245.319 0.459 20 0 BCADHN COC[C@@](C)(O)CNCc1conc1C ZINC000378706922 388484086 /nfs/dbraw/zinc/48/40/86/388484086.db2.gz QIHBANXISPUUOD-JTQLQIEISA-N 0 3 214.265 0.470 20 0 BCADHN C[C@@H](O)CN(C)CCNC(=O)OC(C)(C)C ZINC000177510832 388484806 /nfs/dbraw/zinc/48/48/06/388484806.db2.gz MVELVYIFQFNTLJ-SECBINFHSA-N 0 3 232.324 0.824 20 0 BCADHN COC(=O)CCCN1CCC[C@@H](O)CC1 ZINC000339788724 388486258 /nfs/dbraw/zinc/48/62/58/388486258.db2.gz WALVAFRHKMTFRU-SNVBAGLBSA-N 0 3 215.293 0.786 20 0 BCADHN CC(C)[C@@H]1CN(CCOCCO)CCCO1 ZINC000339832714 388487698 /nfs/dbraw/zinc/48/76/98/388487698.db2.gz YXOZQWOWVOGPIF-LBPRGKRZSA-N 0 3 231.336 0.742 20 0 BCADHN Cc1cnn(CC(=O)N2CCNCC2(C)C)c1 ZINC000649273425 388488423 /nfs/dbraw/zinc/48/84/23/388488423.db2.gz JLEBMIVDGNRRJF-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN CCCCCNC(=O)C1CCN(CCO)CC1 ZINC000177685945 388489164 /nfs/dbraw/zinc/48/91/64/388489164.db2.gz XASOUBCXKZJFON-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN COCCC1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000528575274 388548687 /nfs/dbraw/zinc/54/86/87/388548687.db2.gz XAMQIUZBURIKGA-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CN(CCO)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000177843530 388492165 /nfs/dbraw/zinc/49/21/65/388492165.db2.gz QLRCEYFJLSTYGH-SNVBAGLBSA-N 0 3 244.335 0.920 20 0 BCADHN CCOCCN1CCC([C@H](O)C(=O)OC)CC1 ZINC000135347834 388492628 /nfs/dbraw/zinc/49/26/28/388492628.db2.gz OKHBDNPFSMKTOV-NSHDSACASA-N 0 3 245.319 0.269 20 0 BCADHN COC[C@@H](C)N[C@@H](C)C(=O)NC(C)C ZINC000034937199 388493079 /nfs/dbraw/zinc/49/30/79/388493079.db2.gz LEYQTSFMYAMGSC-BDAKNGLRSA-N 0 3 202.298 0.524 20 0 BCADHN CC[C@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1O ZINC000341023591 388494078 /nfs/dbraw/zinc/49/40/78/388494078.db2.gz SMHXZVFINMDLLR-GXSJLCMTSA-N 0 3 226.320 0.310 20 0 BCADHN CCNC(=O)[C@@H](C)NC[C@@H](OC)C1CC1 ZINC000378751811 388495026 /nfs/dbraw/zinc/49/50/26/388495026.db2.gz PDVGBUNANCJYKV-PSASIEDQSA-N 0 3 214.309 0.526 20 0 BCADHN CCNC(=O)[C@@H](C)NC[C@H](OC)C1CC1 ZINC000378751812 388496912 /nfs/dbraw/zinc/49/69/12/388496912.db2.gz PDVGBUNANCJYKV-SCZZXKLOSA-N 0 3 214.309 0.526 20 0 BCADHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cccnn1 ZINC000528585622 388548953 /nfs/dbraw/zinc/54/89/53/388548953.db2.gz XOQYWHNWZPFMFL-NSHDSACASA-N 0 3 248.330 0.890 20 0 BCADHN COCCCNC(=O)CN[C@@H]1CSC[C@@H]1C ZINC000397801292 388500073 /nfs/dbraw/zinc/50/00/73/388500073.db2.gz CMCWYKZYOGUHBQ-VHSXEESVSA-N 0 3 246.376 0.480 20 0 BCADHN CNC(=O)CCN1CCS[C@H]2COCC[C@@H]21 ZINC000135559068 388500212 /nfs/dbraw/zinc/50/02/12/388500212.db2.gz GZSALZWFTRSOHA-UWVGGRQHSA-N 0 3 244.360 0.329 20 0 BCADHN O[C@H]1CN(CCOC[C@@H]2CCCO2)CC12CC2 ZINC000548626392 388549064 /nfs/dbraw/zinc/54/90/64/388549064.db2.gz NXZSJMYATOSHSP-RYUDHWBXSA-N 0 3 241.331 0.639 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CC=C(C)CC1 ZINC000343709182 388502793 /nfs/dbraw/zinc/50/27/93/388502793.db2.gz CYQCCMWGVFLRGG-NSHDSACASA-N 0 3 213.277 0.562 20 0 BCADHN CCC[C@H](CNC1COCCOC1)OC ZINC000378788698 388503976 /nfs/dbraw/zinc/50/39/76/388503976.db2.gz PWVCZQTXIYQXRU-LLVKDONJSA-N 0 3 217.309 0.807 20 0 BCADHN COC1(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000648934376 388506663 /nfs/dbraw/zinc/50/66/63/388506663.db2.gz VWGOPPVUJUOCRK-WDEREUQCSA-N 0 3 238.331 0.718 20 0 BCADHN c1cn2c(n1)[C@H](NC[C@H]1CCOC1)CC2 ZINC000345340274 388510566 /nfs/dbraw/zinc/51/05/66/388510566.db2.gz BVWARMVDAKNYDV-NXEZZACHSA-N 0 3 207.277 0.954 20 0 BCADHN CCC[C@@H](CNCC(=O)NCC1CC1)OC ZINC000378819828 388515347 /nfs/dbraw/zinc/51/53/47/388515347.db2.gz MDPDVRDJFCPVNT-NSHDSACASA-N 0 3 228.336 0.917 20 0 BCADHN C[C@]1(CNC(=O)[C@@H](N)CC(F)F)CCOC1 ZINC000345825018 388516985 /nfs/dbraw/zinc/51/69/85/388516985.db2.gz VNMXLAISWDZKKM-OIBJUYFYSA-N 0 3 236.262 0.512 20 0 BCADHN CC[N@H+](C)CCNC(=O)Cc1cncc([O-])c1 ZINC000516785503 388517822 /nfs/dbraw/zinc/51/78/22/388517822.db2.gz ZSOQPBONSMQIPG-UHFFFAOYSA-N 0 3 237.303 0.398 20 0 BCADHN CC[N@@H+](C)CCNC(=O)Cc1cncc([O-])c1 ZINC000516785503 388517824 /nfs/dbraw/zinc/51/78/24/388517824.db2.gz ZSOQPBONSMQIPG-UHFFFAOYSA-N 0 3 237.303 0.398 20 0 BCADHN CN(C)CCOc1cccc(CNC(N)=O)c1 ZINC000078932945 388518028 /nfs/dbraw/zinc/51/80/28/388518028.db2.gz DYYDWWWFWVEAQE-UHFFFAOYSA-N 0 3 237.303 0.795 20 0 BCADHN C[C@]1(O)CCN(C[C@H](O)CC2(O)CCC2)C1 ZINC000528399372 388519423 /nfs/dbraw/zinc/51/94/23/388519423.db2.gz WHKYUHPTKXNNPT-MNOVXSKESA-N 0 3 229.320 0.109 20 0 BCADHN O=C(CNC1CC1)NCCn1cnnc1C1CC1 ZINC000516869154 388520637 /nfs/dbraw/zinc/52/06/37/388520637.db2.gz BFKYHFMTSWWPFU-UHFFFAOYSA-N 0 3 249.318 0.024 20 0 BCADHN C[C@@H]1OCCN(C(=O)[C@@H](N)CC(F)F)[C@H]1C ZINC000347650775 388523131 /nfs/dbraw/zinc/52/31/31/388523131.db2.gz HETHJAIWINVEDA-FXQIFTODSA-N 0 3 236.262 0.605 20 0 BCADHN C[C@@H]1OCCN(C(=O)[C@H](N)CC(F)F)[C@H]1C ZINC000347650769 388523180 /nfs/dbraw/zinc/52/31/80/388523180.db2.gz HETHJAIWINVEDA-BIIVOSGPSA-N 0 3 236.262 0.605 20 0 BCADHN COCc1ccc(CNCCc2nnc[nH]2)o1 ZINC000347791685 388523661 /nfs/dbraw/zinc/52/36/61/388523661.db2.gz BHRVJTWTLVYCRR-UHFFFAOYSA-N 0 3 236.275 0.876 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@@H](OC)C1)N(C)C ZINC000178018520 388524444 /nfs/dbraw/zinc/52/44/44/388524444.db2.gz ZYGAWDVQNBIARM-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H](OC)C1)N(C)C ZINC000178018529 388524592 /nfs/dbraw/zinc/52/45/92/388524592.db2.gz ZYGAWDVQNBIARM-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H](N(C)CC(=O)NC1CC1)C(C)(C)O ZINC000347726911 388524697 /nfs/dbraw/zinc/52/46/97/388524697.db2.gz KGPCVJCUACBICE-MRVPVSSYSA-N 0 3 214.309 0.356 20 0 BCADHN CCCNC(=O)CCCN(CC)CC(N)=O ZINC000516934900 388525629 /nfs/dbraw/zinc/52/56/29/388525629.db2.gz BRVHPNYITLXNKF-UHFFFAOYSA-N 0 3 229.324 0.100 20 0 BCADHN C[C@H](C(=O)NC(C)(C)C)N(C)CCCCO ZINC000349954277 388529070 /nfs/dbraw/zinc/52/90/70/388529070.db2.gz KCSLZPONWUFGSN-SNVBAGLBSA-N 0 3 230.352 0.994 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N(C)CCCCO ZINC000349919677 388529482 /nfs/dbraw/zinc/52/94/82/388529482.db2.gz ICEWDHIYUWOFHL-NSHDSACASA-N 0 3 230.352 0.948 20 0 BCADHN CC(C)COCCN1C[C@@H](CO)[C@H](CO)C1 ZINC000528599834 388550141 /nfs/dbraw/zinc/55/01/41/388550141.db2.gz VGVGQJUGHMTMBR-RYUDHWBXSA-N 0 3 231.336 0.192 20 0 BCADHN NS(=O)(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000528471414 388531076 /nfs/dbraw/zinc/53/10/76/388531076.db2.gz CHVURFYZBATRIR-SNVBAGLBSA-N 0 3 247.364 0.187 20 0 BCADHN CCn1cc(CC(=O)NCCN(C)C)cn1 ZINC000548363785 388531439 /nfs/dbraw/zinc/53/14/39/388531439.db2.gz JRHASPIQLOKFSB-UHFFFAOYSA-N 0 3 224.308 0.123 20 0 BCADHN CCOC(=O)COCCN1C[C@@H](O)[C@@H](CC)C1 ZINC000351710749 388532837 /nfs/dbraw/zinc/53/28/37/388532837.db2.gz DXJFBVUYOSZLTG-WDEREUQCSA-N 0 3 245.319 0.269 20 0 BCADHN CCOC(=O)COCCN1C[C@@H](CC)[C@H](O)C1 ZINC000351710745 388533238 /nfs/dbraw/zinc/53/32/38/388533238.db2.gz DXJFBVUYOSZLTG-GHMZBOCLSA-N 0 3 245.319 0.269 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)C1)N(C)C ZINC000517033604 388534855 /nfs/dbraw/zinc/53/48/55/388534855.db2.gz WSTXDCHHQRTDQJ-IUCAKERBSA-N 0 3 212.293 0.422 20 0 BCADHN CCS(=O)(=O)NCCCN1[C@@H](C)C[C@@H]1C ZINC000548424961 388536692 /nfs/dbraw/zinc/53/66/92/388536692.db2.gz IOTKVXURDMBDKG-UWVGGRQHSA-N 0 3 234.365 0.799 20 0 BCADHN COC[C@@H](O)CN[C@@H]1COc2ccccc2C1 ZINC000328195039 388586077 /nfs/dbraw/zinc/58/60/77/388586077.db2.gz DSGKKNXJOQQQQV-RYUDHWBXSA-N 0 3 237.299 0.587 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cnns2)[C@H]1C ZINC000261545716 388586608 /nfs/dbraw/zinc/58/66/08/388586608.db2.gz KFASNSKNRCLSAA-RQJHMYQMSA-N 0 3 226.305 0.361 20 0 BCADHN C[C@@]1(O)CCN([C@H]2CCCCNC2=O)C1 ZINC000245584972 388591846 /nfs/dbraw/zinc/59/18/46/388591846.db2.gz DQLGZOPNGMLIHE-GXSJLCMTSA-N 0 3 212.293 0.112 20 0 BCADHN CC[C@H](C(=O)NCC12CC(C1)CO2)N(C)C ZINC000529873663 388595406 /nfs/dbraw/zinc/59/54/06/388595406.db2.gz WFSNQQFHDIYSRW-SQLBVSGCSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@@H]1CCCN(C)C1 ZINC000081900948 388597897 /nfs/dbraw/zinc/59/78/97/388597897.db2.gz ZSUQLLDNXFLCMI-QWRGUYRKSA-N 0 3 248.392 0.351 20 0 BCADHN CN(C[C@H]1CCCOC1)[C@H]1CCNC1=O ZINC000245696219 388598642 /nfs/dbraw/zinc/59/86/42/388598642.db2.gz SBTHIWKCXWXQOQ-ZJUUUORDSA-N 0 3 212.293 0.233 20 0 BCADHN CN(C[C@@H]1CCCOC1)[C@H]1CCNC1=O ZINC000245696213 388598978 /nfs/dbraw/zinc/59/89/78/388598978.db2.gz SBTHIWKCXWXQOQ-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN N[C@@H](C(=O)Nc1ccc[nH]c1=O)C1CCC1 ZINC000649314025 388601412 /nfs/dbraw/zinc/60/14/12/388601412.db2.gz IDSHWUZRGGEVQN-SECBINFHSA-N 0 3 221.260 0.853 20 0 BCADHN CCC[C@H](C)N1CCN(CC(N)=O)CC1 ZINC000186670174 388602061 /nfs/dbraw/zinc/60/20/61/388602061.db2.gz YSZRQKQBCOWJBO-JTQLQIEISA-N 0 3 213.325 0.278 20 0 BCADHN C[C@@H](NCC(=O)NC1CC1)[C@H]1CCCCO1 ZINC000379266982 388602146 /nfs/dbraw/zinc/60/21/46/388602146.db2.gz RWRDRLNGZHCQRC-MWLCHTKSSA-N 0 3 226.320 0.812 20 0 BCADHN N[C@@H](CC(F)F)C(=O)Nc1ccc[nH]c1=O ZINC000649314197 388602152 /nfs/dbraw/zinc/60/21/52/388602152.db2.gz RBUIJGHJPRLPIY-YFKPBYRVSA-N 0 3 231.202 0.708 20 0 BCADHN CCNC(=O)CN[C@@H](C)[C@@H]1CCCCO1 ZINC000379272323 388604444 /nfs/dbraw/zinc/60/44/44/388604444.db2.gz WUWAFFWLMQSFOF-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN CCN(CC)CC(=O)NCC1(CO)CCCC1 ZINC000186965594 388604436 /nfs/dbraw/zinc/60/44/36/388604436.db2.gz REUOIELKQXVFNE-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN CC[C@H](C)CN(CC)[C@H](C)C(=O)NC(N)=O ZINC000245774976 388604980 /nfs/dbraw/zinc/60/49/80/388604980.db2.gz LHUMHLVWSPOOPM-DTWKUNHWSA-N 0 3 229.324 0.938 20 0 BCADHN O=C(CO)NC[C@H]1CCN1C1CCCC1 ZINC000530022427 388605773 /nfs/dbraw/zinc/60/57/73/388605773.db2.gz GLFSVGJXKVSKLA-SNVBAGLBSA-N 0 3 212.293 0.112 20 0 BCADHN C[C@H](O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530028396 388606084 /nfs/dbraw/zinc/60/60/84/388606084.db2.gz PHDKSQMRXNHNJF-GXSJLCMTSA-N 0 3 226.320 0.500 20 0 BCADHN CSCCN1CCN(c2ncc[nH]2)CC1 ZINC000550636402 388611401 /nfs/dbraw/zinc/61/14/01/388611401.db2.gz MWSHTAOXUSEQSK-UHFFFAOYSA-N 0 3 226.349 0.895 20 0 BCADHN CN(C[C@H]1CCCCO1)[C@H]1COC[C@H]1O ZINC000550705168 388613362 /nfs/dbraw/zinc/61/33/62/388613362.db2.gz QVXYXTHLZVFBGY-OUAUKWLOSA-N 0 3 215.293 0.247 20 0 BCADHN C[C@@H](O)CN[C@]1(CO)COc2ccccc2C1 ZINC000528645905 388554800 /nfs/dbraw/zinc/55/48/00/388554800.db2.gz OYEIZPMXWNWYSJ-ZWNOBZJWSA-N 0 3 237.299 0.323 20 0 BCADHN COCCC1CCN(C(=O)C(C)(C)N)CC1 ZINC000528663703 388556429 /nfs/dbraw/zinc/55/64/29/388556429.db2.gz UGJCFFGKYKHMKF-UHFFFAOYSA-N 0 3 228.336 0.999 20 0 BCADHN CCO[C@@]1(C)C[C@H]1NC(=O)C(C)(C)N ZINC000528664651 388556733 /nfs/dbraw/zinc/55/67/33/388556733.db2.gz ZJMNQFQUKBCMGB-XCBNKYQSSA-N 0 3 200.282 0.407 20 0 BCADHN CCO[C@@]1(C)C[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000528663689 388556741 /nfs/dbraw/zinc/55/67/41/388556741.db2.gz UCLGVPSMQMZBIL-YWVKMMECSA-N 0 3 214.309 0.653 20 0 BCADHN CCN(C)C(=O)CN1CCC(CCCO)CC1 ZINC000360083612 388558131 /nfs/dbraw/zinc/55/81/31/388558131.db2.gz FEYDUCRVUPCLAN-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN CCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184740410 388558938 /nfs/dbraw/zinc/55/89/38/388558938.db2.gz MSLWRFZEBCZKMD-LLVKDONJSA-N 0 3 242.367 0.332 20 0 BCADHN OCCOCCNCc1ccc2[nH]cnc2c1 ZINC000520953408 388558992 /nfs/dbraw/zinc/55/89/92/388558992.db2.gz FFGUNZKNSZALOB-UHFFFAOYSA-N 0 3 235.287 0.661 20 0 BCADHN OCCOCCNCc1ccc2nc[nH]c2c1 ZINC000520953408 388558994 /nfs/dbraw/zinc/55/89/94/388558994.db2.gz FFGUNZKNSZALOB-UHFFFAOYSA-N 0 3 235.287 0.661 20 0 BCADHN CN(C)CCN(C)C(=O)c1cnn(C2CC2)c1 ZINC000528744251 388564833 /nfs/dbraw/zinc/56/48/33/388564833.db2.gz RBUHLEUSLVGLLK-UHFFFAOYSA-N 0 3 236.319 0.852 20 0 BCADHN CCC[C@@H](C)N1CC[C@H](S(=O)(=O)NC)C1 ZINC000548849382 388565307 /nfs/dbraw/zinc/56/53/07/388565307.db2.gz GXQNUHVIBIFUDL-ZJUUUORDSA-N 0 3 234.365 0.799 20 0 BCADHN CC(C)NC(=O)CN[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528757118 388566870 /nfs/dbraw/zinc/56/68/70/388566870.db2.gz WPJLMSRLCTXGLV-WYFGTUCQSA-N 0 3 228.336 0.913 20 0 BCADHN CC(=O)CCC(=O)NCCN1CC[C@H](C)C1 ZINC000548864407 388567194 /nfs/dbraw/zinc/56/71/94/388567194.db2.gz SBFLGUURIXMPAL-JTQLQIEISA-N 0 3 226.320 0.814 20 0 BCADHN CSCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368384438 388568005 /nfs/dbraw/zinc/56/80/05/388568005.db2.gz IWBRUDPAXOHANE-BQBZGAKWSA-N 0 3 206.286 0.166 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@@H]1CCN(C)C1=O ZINC000528760332 388568170 /nfs/dbraw/zinc/56/81/70/388568170.db2.gz XNQQKFRPSXORMI-FBDQPXRJSA-N 0 3 226.320 0.619 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@@H]1CCNC1=O ZINC000528759965 388568485 /nfs/dbraw/zinc/56/84/85/388568485.db2.gz VOVGCKQZSZLCQB-SRQGCSHVSA-N 0 3 212.293 0.276 20 0 BCADHN Cn1nncc1CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000368572548 388569067 /nfs/dbraw/zinc/56/90/67/388569067.db2.gz CESUJHVSSNZTTI-AXFHLTTASA-N 0 3 236.319 0.718 20 0 BCADHN C[C@H]1CC(F)(F)CCN1CCC(=O)NC(N)=O ZINC000528771329 388570461 /nfs/dbraw/zinc/57/04/61/388570461.db2.gz WRSIWDKUYKJWAO-ZETCQYMHSA-N 0 3 249.261 0.691 20 0 BCADHN C[C@@H]1CC(F)(F)CCN1CCC(=O)NC(N)=O ZINC000528771327 388570482 /nfs/dbraw/zinc/57/04/82/388570482.db2.gz WRSIWDKUYKJWAO-SSDOTTSWSA-N 0 3 249.261 0.691 20 0 BCADHN CC[C@H](O)CN[C@H]1CCN(C(C)C)C1=O ZINC000581127684 388571023 /nfs/dbraw/zinc/57/10/23/388571023.db2.gz ZQDFJNAKOMQIRG-UWVGGRQHSA-N 0 3 214.309 0.356 20 0 BCADHN O=C(NCCC[C@@H]1CCC[NH2+]1)c1c[n-]nn1 ZINC000581130021 388571091 /nfs/dbraw/zinc/57/10/91/388571091.db2.gz BMEJHVYOLLQNQN-QMMMGPOBSA-N 0 3 223.280 0.067 20 0 BCADHN O=C(NCCC[C@@H]1CCC[NH2+]1)c1cnn[n-]1 ZINC000581130021 388571094 /nfs/dbraw/zinc/57/10/94/388571094.db2.gz BMEJHVYOLLQNQN-QMMMGPOBSA-N 0 3 223.280 0.067 20 0 BCADHN O=C(NCCC[C@@H]1CCC[NH2+]1)c1cn[n-]n1 ZINC000581130021 388571096 /nfs/dbraw/zinc/57/10/96/388571096.db2.gz BMEJHVYOLLQNQN-QMMMGPOBSA-N 0 3 223.280 0.067 20 0 BCADHN CC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528781474 388572309 /nfs/dbraw/zinc/57/23/09/388572309.db2.gz JZSQIFTTWRZKRU-OZWUEAAUSA-N 0 3 231.361 0.743 20 0 BCADHN COCCN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528783033 388572569 /nfs/dbraw/zinc/57/25/69/388572569.db2.gz KWOYNBCKCHVMHG-ISTVAULSSA-N 0 3 217.334 0.618 20 0 BCADHN CC[C@H](C)C(=O)NCCN(CC)CCO ZINC000183923406 388572957 /nfs/dbraw/zinc/57/29/57/388572957.db2.gz DWKZSXIPACWYSH-JTQLQIEISA-N 0 3 216.325 0.463 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528786886 388573464 /nfs/dbraw/zinc/57/34/64/388573464.db2.gz KBWDXEMJGBAQMM-KZTGVZKYSA-N 0 3 245.388 0.989 20 0 BCADHN CC(C(=O)N1CCC(C)(C)C1)S(C)(=O)=O ZINC000081351444 388573621 /nfs/dbraw/zinc/57/36/21/388573621.db2.gz JUOMZLAJMBZUJK-MRVPVSSYSA-N 0 3 233.333 0.678 20 0 BCADHN CC(C)[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528786881 388573718 /nfs/dbraw/zinc/57/37/18/388573718.db2.gz KBWDXEMJGBAQMM-JBBSTSQOSA-N 0 3 245.388 0.989 20 0 BCADHN O=c1ccc([C@H]2CCCN2CCCO)n[nH]1 ZINC000528793717 388573851 /nfs/dbraw/zinc/57/38/51/388573851.db2.gz ZZZIFHRHQSEOEB-SNVBAGLBSA-N 0 3 223.276 0.702 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cccnn2)CN1C1CC1 ZINC000528810195 388575026 /nfs/dbraw/zinc/57/50/26/388575026.db2.gz ROBJHBCURMIFRL-NXEZZACHSA-N 0 3 246.314 0.832 20 0 BCADHN CCCC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184384735 388577409 /nfs/dbraw/zinc/57/74/09/388577409.db2.gz BBWOHRQZSXOSQC-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CCOC[C@@H](O)CN1CC[C@H](OC(F)F)C1 ZINC000549408493 388578351 /nfs/dbraw/zinc/57/83/51/388578351.db2.gz OFBPYFPREFMCPX-IUCAKERBSA-N 0 3 239.262 0.697 20 0 BCADHN CC/C=C/CCN1CC[C@H](NS(C)(=O)=O)C1 ZINC000184560851 388579747 /nfs/dbraw/zinc/57/97/47/388579747.db2.gz PVXSVRCMBXHAGH-ZWNMCFTASA-N 0 3 246.376 0.966 20 0 BCADHN NC1(C(=O)Nc2c[nH]ccc2=O)CCCC1 ZINC000649301159 388582962 /nfs/dbraw/zinc/58/29/62/388582962.db2.gz IXDRZQYXPOVZEQ-UHFFFAOYSA-N 0 3 221.260 0.585 20 0 BCADHN NCC1(C(=O)Nc2c[nH]ccc2=O)CCCC1 ZINC000649301304 388583437 /nfs/dbraw/zinc/58/34/37/388583437.db2.gz SYZSYRAMKZXPTF-UHFFFAOYSA-N 0 3 235.287 0.833 20 0 BCADHN CN(C[C@H]1CCCOC1)[C@H]1CCN(C)C1=O ZINC000245498824 388584664 /nfs/dbraw/zinc/58/46/64/388584664.db2.gz WZMOBMKSMXNBFO-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN CSC1(CN2CC[C@H](NC(N)=O)C2)CC1 ZINC000521941894 388669730 /nfs/dbraw/zinc/66/97/30/388669730.db2.gz OMJUAAGZAKDXJB-QMMMGPOBSA-N 0 3 229.349 0.625 20 0 BCADHN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H](C)N)C1(C)C ZINC000161553118 388671196 /nfs/dbraw/zinc/67/11/96/388671196.db2.gz SSDOATABEPDFPL-LPEHRKFASA-N 0 3 228.336 0.996 20 0 BCADHN C[C@@H](O)CN1CCN(CCCCCO)[C@@H](C)C1 ZINC000192807223 388686245 /nfs/dbraw/zinc/68/62/45/388686245.db2.gz OZMAMJFTOMKNLI-QWHCGFSZSA-N 0 3 244.379 0.536 20 0 BCADHN Nc1cc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)ccn1 ZINC000125585715 388673388 /nfs/dbraw/zinc/67/33/88/388673388.db2.gz NTHDYZYNRSYVFI-TUAOUCFPSA-N 0 3 233.315 0.867 20 0 BCADHN CCNC(=O)NC(=O)CN1CC[C@H](CC)C1 ZINC000125826675 388677662 /nfs/dbraw/zinc/67/76/62/388677662.db2.gz JIRCVXNPWPJROG-VIFPVBQESA-N 0 3 227.308 0.564 20 0 BCADHN CCS[C@H]1CCC[C@@H]1NC(=O)CN ZINC000225554075 388680358 /nfs/dbraw/zinc/68/03/58/388680358.db2.gz GOYSRAYQXRCPLG-YUMQZZPRSA-N 0 3 202.323 0.736 20 0 BCADHN CC[C@H](C)N1CCN(C(=O)CN(C)C)CC1 ZINC000192721030 388682609 /nfs/dbraw/zinc/68/26/09/388682609.db2.gz LPOWTNHJXSDNBR-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN CCN(C)C(=O)CCN(C)[C@@H](C)C[S@](C)=O ZINC000125933182 388682639 /nfs/dbraw/zinc/68/26/39/388682639.db2.gz CLTIYXZIJZOXPZ-MGPLVRAMSA-N 0 3 248.392 0.554 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cnsn2)[C@H]1C ZINC000261549676 388618919 /nfs/dbraw/zinc/61/89/19/388618919.db2.gz OYZLUTXEVLCAPQ-BQBZGAKWSA-N 0 3 226.305 0.361 20 0 BCADHN CCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246181208 388621354 /nfs/dbraw/zinc/62/13/54/388621354.db2.gz HGCDFZIAFDTRBM-NXEZZACHSA-N 0 3 213.325 0.988 20 0 BCADHN Cc1nn(C)c(C)c1CNC[C@@H]1COCCN1 ZINC000530181593 388622461 /nfs/dbraw/zinc/62/24/61/388622461.db2.gz NJITWDFHRDLSJO-LLVKDONJSA-N 0 3 238.335 0.115 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCC[C@H]1O)N(C)C ZINC000246190341 388622819 /nfs/dbraw/zinc/62/28/19/388622819.db2.gz IFKWQXAPGUWZKC-OPRDCNLKSA-N 0 3 214.309 0.356 20 0 BCADHN Cc1noc(C)c1CNC[C@@H]1COCCN1 ZINC000530181970 388623096 /nfs/dbraw/zinc/62/30/96/388623096.db2.gz RCKLLQLMNHCBHD-SNVBAGLBSA-N 0 3 225.292 0.369 20 0 BCADHN CC(=O)NCCN(C)CCOCC1CCC1 ZINC000551303542 388625522 /nfs/dbraw/zinc/62/55/22/388625522.db2.gz SQNVKQKFJZETPM-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@@H](NC[C@@H]1COCCN1)c1ccoc1 ZINC000530217843 388630781 /nfs/dbraw/zinc/63/07/81/388630781.db2.gz BFUNXEVFXNKSEJ-MWLCHTKSSA-N 0 3 210.277 0.919 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1)c1cnccn1 ZINC000530220110 388631500 /nfs/dbraw/zinc/63/15/00/388631500.db2.gz IVRKWWHTSDBUHE-ZJUUUORDSA-N 0 3 222.292 0.116 20 0 BCADHN C[C@H](CO)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000246336586 388631701 /nfs/dbraw/zinc/63/17/01/388631701.db2.gz OAKYIACTSKDGEN-KXUCPTDWSA-N 0 3 241.335 0.292 20 0 BCADHN C[C@H](NC[C@@H]1COCCN1)c1ccccn1 ZINC000530218602 388631721 /nfs/dbraw/zinc/63/17/21/388631721.db2.gz DFPMIKCHKFOIIK-WDEREUQCSA-N 0 3 221.304 0.721 20 0 BCADHN C[C@@H](NC[C@H]1COCCN1)c1ccncn1 ZINC000530223513 388634017 /nfs/dbraw/zinc/63/40/17/388634017.db2.gz KGDBWZSTAAVTGT-ZJUUUORDSA-N 0 3 222.292 0.116 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc(N)cn1 ZINC000521870993 388637428 /nfs/dbraw/zinc/63/74/28/388637428.db2.gz RXYJWRSIZODRLH-DTWKUNHWSA-N 0 3 234.303 0.486 20 0 BCADHN C[C@@H]1CCCN(CC(=O)NC(N)=O)[C@H]1C ZINC000246487172 388638964 /nfs/dbraw/zinc/63/89/64/388638964.db2.gz AJJKTMSZBFHMGC-SFYZADRCSA-N 0 3 213.281 0.302 20 0 BCADHN Cc1cnccc1CNC[C@@H]1COCCN1 ZINC000530247139 388639467 /nfs/dbraw/zinc/63/94/67/388639467.db2.gz PSGUQPFANPGAHZ-GFCCVEGCSA-N 0 3 221.304 0.468 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NCC1CC1 ZINC000139500333 388643045 /nfs/dbraw/zinc/64/30/45/388643045.db2.gz PVFSLVDBJKESKA-SNVBAGLBSA-N 0 3 211.309 0.790 20 0 BCADHN CC1(C)OCC[C@H]1NC[C@@H](O)C(F)F ZINC000328466352 388644021 /nfs/dbraw/zinc/64/40/21/388644021.db2.gz XHZPGHNTZOVVRB-RNFRBKRXSA-N 0 3 209.236 0.770 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000246580860 388644100 /nfs/dbraw/zinc/64/41/00/388644100.db2.gz IBQVBHJCRMRAIH-JQCXWYLXSA-N 0 3 212.293 0.263 20 0 BCADHN CC(C(=O)N1[C@H](C)CC[C@@H]1C)S(C)(=O)=O ZINC000246641053 388646963 /nfs/dbraw/zinc/64/69/63/388646963.db2.gz UKNPAHIDWVETQZ-YIZRAAEISA-N 0 3 233.333 0.819 20 0 BCADHN NC1(C(=O)N2CCO[C@@H]3CCC[C@H]32)CC1 ZINC000083835617 388648155 /nfs/dbraw/zinc/64/81/55/388648155.db2.gz WGMREITVGONYLC-RKDXNWHRSA-N 0 3 210.277 0.258 20 0 BCADHN C[C@@H]1CN(CCN2CCOC[C@@H]2C)CC[C@@H]1O ZINC000192810630 388685384 /nfs/dbraw/zinc/68/53/84/388685384.db2.gz AHTHTTVYYMZCJI-AGIUHOORSA-N 0 3 242.363 0.410 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000246862088 388654116 /nfs/dbraw/zinc/65/41/16/388654116.db2.gz CLJNJAAKCVZJGN-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CC(C(=O)NC[C@]1(C)CCCO1)S(C)(=O)=O ZINC000124061127 388660266 /nfs/dbraw/zinc/66/02/66/388660266.db2.gz GYSFCSIKMAFUFJ-SCZZXKLOSA-N 0 3 249.332 0.105 20 0 BCADHN CC(C)N1CC[C@@H](N(C)C[C@H]2CCOC2)C1=O ZINC000247214198 388660918 /nfs/dbraw/zinc/66/09/18/388660918.db2.gz YAUUBRGKZMRKPT-VXGBXAGGSA-N 0 3 240.347 0.964 20 0 BCADHN O=C(NC[C@]1(O)CN2CCC1CC2)C1CCC1 ZINC000552028195 388661076 /nfs/dbraw/zinc/66/10/76/388661076.db2.gz OFPHIWVHHZWEKP-ZDUSSCGKSA-N 0 3 238.331 0.359 20 0 BCADHN CCCOCC(=O)NC[C@H]1CCCN(C)C1 ZINC000224502308 388664812 /nfs/dbraw/zinc/66/48/12/388664812.db2.gz CKGMBJCCANQIMB-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H](C)OC[C@H]1C ZINC000067572969 388734955 /nfs/dbraw/zinc/73/49/55/388734955.db2.gz WWPLIVYTAISOGP-GHMZBOCLSA-N 0 3 228.336 0.962 20 0 BCADHN CN1CCC[C@H]1CNC(=O)COCC1CC1 ZINC000194699209 388740141 /nfs/dbraw/zinc/74/01/41/388740141.db2.gz BHZGQNKDZZXUPS-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN CNC(=O)CN1CCC[C@H]1CSC ZINC000128169588 388740207 /nfs/dbraw/zinc/74/02/07/388740207.db2.gz KNPAOKISWKVYOH-QMMMGPOBSA-N 0 3 202.323 0.560 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCCSCC1 ZINC000089983565 388743708 /nfs/dbraw/zinc/74/37/08/388743708.db2.gz NSYNQIQPIFYTBT-SECBINFHSA-N 0 3 216.350 0.902 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCCSCC1 ZINC000089983564 388743820 /nfs/dbraw/zinc/74/38/20/388743820.db2.gz NSYNQIQPIFYTBT-VIFPVBQESA-N 0 3 216.350 0.902 20 0 BCADHN CCN(C)CCNC(=O)Cc1cnn(C)c1 ZINC000194838068 388744598 /nfs/dbraw/zinc/74/45/98/388744598.db2.gz CWMFJPYVCYODQO-UHFFFAOYSA-N 0 3 224.308 0.031 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCCC[C@@H]1C ZINC000227341553 388747615 /nfs/dbraw/zinc/74/76/15/388747615.db2.gz WIKNMRZXXRYXOO-IUCAKERBSA-N 0 3 200.282 0.361 20 0 BCADHN CO[C@@H](CN)C(=O)NC1CCCCC1 ZINC000227341422 388747694 /nfs/dbraw/zinc/74/76/94/388747694.db2.gz ZMNJWHDGTRWGLA-VIFPVBQESA-N 0 3 200.282 0.409 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCCCCC1 ZINC000227341899 388748722 /nfs/dbraw/zinc/74/87/22/388748722.db2.gz JORAZDRQHGECBA-VIFPVBQESA-N 0 3 200.282 0.363 20 0 BCADHN COC[C@H](C)N(C)[C@H](C)C[S@](C)=O ZINC000251541996 388749129 /nfs/dbraw/zinc/74/91/29/388749129.db2.gz GJDDOZWIGWXNBQ-RWEMILLDSA-N 0 3 207.339 0.720 20 0 BCADHN CCN(CC(C)(C)O)C(=O)CN1CC[C@@H](C)C1 ZINC000553164332 388750253 /nfs/dbraw/zinc/75/02/53/388750253.db2.gz NACLECLBIFLYSH-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cccnc1C ZINC000227389612 388750503 /nfs/dbraw/zinc/75/05/03/388750503.db2.gz HDKJXXKAAKCBQK-SECBINFHSA-N 0 3 209.249 0.302 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1ccc(Cl)s1 ZINC000227385463 388750685 /nfs/dbraw/zinc/75/06/85/388750685.db2.gz JFZODHPQSVZQOO-ZETCQYMHSA-N 0 3 248.735 0.991 20 0 BCADHN CCC1(CNC(=O)[C@@H](CN)OC)CCC1 ZINC000227417648 388751296 /nfs/dbraw/zinc/75/12/96/388751296.db2.gz PIUVDRUVFZSESX-SECBINFHSA-N 0 3 214.309 0.657 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCSC(C)(C)C1 ZINC000227408498 388751514 /nfs/dbraw/zinc/75/15/14/388751514.db2.gz XZWRJFLSPRNTFI-QMMMGPOBSA-N 0 3 232.349 0.314 20 0 BCADHN CCn1ccc(C(=O)NC[C@@H](C)N(C)C)n1 ZINC000648730692 388751929 /nfs/dbraw/zinc/75/19/29/388751929.db2.gz NGKSDDCYGCNLJW-SECBINFHSA-N 0 3 224.308 0.583 20 0 BCADHN C[C@H](O)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000553223876 388753811 /nfs/dbraw/zinc/75/38/11/388753811.db2.gz FLHIBVZGXQRTCQ-GRYCIOLGSA-N 0 3 240.347 0.558 20 0 BCADHN CC[C@H](N[C@H](C)C(N)=O)[C@H]1CCCO1 ZINC000248617694 388687147 /nfs/dbraw/zinc/68/71/47/388687147.db2.gz RZWNUJUGUWWGNV-HRDYMLBCSA-N 0 3 200.282 0.407 20 0 BCADHN CN(C)CCNC(=O)Nc1nccs1 ZINC000192884371 388687810 /nfs/dbraw/zinc/68/78/10/388687810.db2.gz JDVTYDJEXQESQS-UHFFFAOYSA-N 0 3 214.294 0.826 20 0 BCADHN CCCN(C(=O)c1nc[n-]n1)[C@@H]1CC[N@H+](C)C1 ZINC000648998877 388688717 /nfs/dbraw/zinc/68/87/17/388688717.db2.gz UJUMBUHHLAAPII-SECBINFHSA-N 0 3 237.307 0.361 20 0 BCADHN CCCN(C(=O)c1nc[n-]n1)[C@@H]1CC[N@@H+](C)C1 ZINC000648998877 388688720 /nfs/dbraw/zinc/68/87/20/388688720.db2.gz UJUMBUHHLAAPII-SECBINFHSA-N 0 3 237.307 0.361 20 0 BCADHN C[C@H](CNC(=O)c1cnc(Cl)cn1)N(C)C ZINC000227665730 388755552 /nfs/dbraw/zinc/75/55/52/388755552.db2.gz PAYBVOVLJCRLHR-SSDOTTSWSA-N 0 3 242.710 0.810 20 0 BCADHN CC(C)C[C@@H](CN(C)C)NC(=O)NCCO ZINC000192899571 388689593 /nfs/dbraw/zinc/68/95/93/388689593.db2.gz HVRYTVNYHQFJPQ-JTQLQIEISA-N 0 3 231.340 0.254 20 0 BCADHN CCCN(C(=O)[C@@H]1CCOC1)[C@@H]1CCN(C)C1 ZINC000649001466 388690742 /nfs/dbraw/zinc/69/07/42/388690742.db2.gz NCQKQKBGVFCHED-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CCCN(C(=O)c1c[nH]cn1)[C@@H]1CCN(C)C1 ZINC000648999622 388691036 /nfs/dbraw/zinc/69/10/36/388691036.db2.gz GEGADQATDYMFKX-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN CCCN(C(=O)c1cnc[nH]1)[C@@H]1CCN(C)C1 ZINC000648999622 388691039 /nfs/dbraw/zinc/69/10/39/388691039.db2.gz GEGADQATDYMFKX-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN CCC1(CC)[C@H](NCC(N)=O)[C@H](C)[C@H]1OC ZINC000248853889 388696650 /nfs/dbraw/zinc/69/66/50/388696650.db2.gz VGAPRXSKPBLQMM-JMJZKYOTSA-N 0 3 228.336 0.901 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)C[C@H]1CCCO1 ZINC000193267449 388698874 /nfs/dbraw/zinc/69/88/74/388698874.db2.gz PIVNWHDDXUOWJU-DTWKUNHWSA-N 0 3 249.332 0.057 20 0 BCADHN CN1CC[C@@H](C(=O)Nc2nnc3ccccn32)C1 ZINC000522147414 388705641 /nfs/dbraw/zinc/70/56/41/388705641.db2.gz HYLJMNDFKSOUJW-SECBINFHSA-N 0 3 245.286 0.620 20 0 BCADHN COC(=O)[C@H](C)CN(C)[C@@H]1CCCN(C)C1=O ZINC000538703558 388706812 /nfs/dbraw/zinc/70/68/12/388706812.db2.gz OTMHAPZUZYNMMS-NXEZZACHSA-N 0 3 242.319 0.348 20 0 BCADHN COCc1ccc(C(=O)NCCN(C)C)o1 ZINC000126901310 388708608 /nfs/dbraw/zinc/70/86/08/388708608.db2.gz XCJJIQWABLUSFF-UHFFFAOYSA-N 0 3 226.276 0.717 20 0 BCADHN CC(C)NC(=O)CN(C)[C@H]1CCCC[C@H]1O ZINC000249321251 388716822 /nfs/dbraw/zinc/71/68/22/388716822.db2.gz LPDJZPAMECFYPZ-WDEREUQCSA-N 0 3 228.336 0.746 20 0 BCADHN COC[C@@H](CNCc1ccn(C)c1)OC ZINC000227705434 388756568 /nfs/dbraw/zinc/75/65/68/388756568.db2.gz IDGZXUOHOVVRDK-LLVKDONJSA-N 0 3 212.293 0.776 20 0 BCADHN CC[C@H](O)CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249395077 388719938 /nfs/dbraw/zinc/71/99/38/388719938.db2.gz ROXZWXWQBGBWRI-RYUDHWBXSA-N 0 3 244.379 0.534 20 0 BCADHN C[C@H]1CN(CCN2CC[C@](C)(O)C2)CCO1 ZINC000249403767 388720152 /nfs/dbraw/zinc/72/01/52/388720152.db2.gz WRKPNILKCYMMKZ-RYUDHWBXSA-N 0 3 228.336 0.164 20 0 BCADHN CCN(C)CCNC(=O)COC[C@H]1CCCO1 ZINC000522203490 388720984 /nfs/dbraw/zinc/72/09/84/388720984.db2.gz CDDAEPGMTAZCSP-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN COC(=O)[C@H]1CCCN(C[C@@H](O)CSC)C1 ZINC000249482318 388723261 /nfs/dbraw/zinc/72/32/61/388723261.db2.gz VTYFTHDMKZEESS-VHSXEESVSA-N 0 3 247.360 0.595 20 0 BCADHN COCCN1CCN(C[C@H](C)O)C[C@H]1C ZINC000249498390 388723764 /nfs/dbraw/zinc/72/37/64/388723764.db2.gz HNDYUJYVYYBCMA-MNOVXSKESA-N 0 3 216.325 0.020 20 0 BCADHN CC[C@H](O)CN1CC[C@H](C)C[C@H]1C(N)=O ZINC000249569006 388729009 /nfs/dbraw/zinc/72/90/09/388729009.db2.gz NSEVDYMAXPEFOS-GUBZILKMSA-N 0 3 214.309 0.343 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1CC[C@@H](O)[C@H](C)C1 ZINC000249590843 388729562 /nfs/dbraw/zinc/72/95/62/388729562.db2.gz VJOMGVWYEQHNSC-IJLUTSLNSA-N 0 3 242.363 0.944 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)[C@@H]1CCCC[C@H]1O ZINC000252925711 388792257 /nfs/dbraw/zinc/79/22/57/388792257.db2.gz NARVEGDVDWOBIY-GMTAPVOTSA-N 0 3 228.336 0.698 20 0 BCADHN CCN(C)C(=O)CN[C@@H](C)[C@@H](C)OC ZINC000229586497 388794616 /nfs/dbraw/zinc/79/46/16/388794616.db2.gz HJFQFFCHVZYQGL-DTWKUNHWSA-N 0 3 202.298 0.478 20 0 BCADHN O[C@]1(CNCc2ccncc2)CCOC1 ZINC000229637511 388796991 /nfs/dbraw/zinc/79/69/91/388796991.db2.gz VZMLRFMLQVNOER-NSHDSACASA-N 0 3 208.261 0.323 20 0 BCADHN CN(C)CCNC(=O)c1cccnc1F ZINC000229916410 388804680 /nfs/dbraw/zinc/80/46/80/388804680.db2.gz JNQRXHCXVZLMBD-UHFFFAOYSA-N 0 3 211.240 0.512 20 0 BCADHN C[C@@H]1C[C@H](NCc2nncn2C)CN1C1CC1 ZINC000128977681 388807404 /nfs/dbraw/zinc/80/74/04/388807404.db2.gz DRGGABJBIHVSKP-ZJUUUORDSA-N 0 3 235.335 0.530 20 0 BCADHN C[C@@H]1C[C@@H](NCc2nncn2C)CN1C1CC1 ZINC000128978170 388808332 /nfs/dbraw/zinc/80/83/32/388808332.db2.gz DRGGABJBIHVSKP-NXEZZACHSA-N 0 3 235.335 0.530 20 0 BCADHN CC[C@@H](O)CN(C)CCOCCCOC ZINC000091102543 388758390 /nfs/dbraw/zinc/75/83/90/388758390.db2.gz KWNOPSQSEXXPGJ-LLVKDONJSA-N 0 3 219.325 0.742 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCc2ccnn2C)C1 ZINC000553271079 388758770 /nfs/dbraw/zinc/75/87/70/388758770.db2.gz CNYWOLFXCMJXKX-SNVBAGLBSA-N 0 3 236.319 0.378 20 0 BCADHN C[C@H]1C[C@H](N2CCCC2)CN1c1nnnn1C ZINC000553336138 388765159 /nfs/dbraw/zinc/76/51/59/388765159.db2.gz IQVSJGAERZBROM-UWVGGRQHSA-N 0 3 236.323 0.273 20 0 BCADHN CN(C)CCOCCNC(=O)C1CCC1 ZINC000539745770 388774175 /nfs/dbraw/zinc/77/41/75/388774175.db2.gz FZWSEYYUURDHON-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN CC(C)NS(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000539803393 388777906 /nfs/dbraw/zinc/77/79/06/388777906.db2.gz WSXKMXWYLWOJJQ-SNVBAGLBSA-N 0 3 249.380 0.161 20 0 BCADHN COCC1(C(=O)NC[C@@H]2CCCN(C)C2)CC1 ZINC000539808027 388778175 /nfs/dbraw/zinc/77/81/75/388778175.db2.gz PKSKDBRWNLCIOQ-NSHDSACASA-N 0 3 240.347 0.871 20 0 BCADHN CNC(=O)CCCN(C)[C@H]1CCCN(C)C1=O ZINC000539812573 388779146 /nfs/dbraw/zinc/77/91/46/388779146.db2.gz NVIPZKLPGMWQGE-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CN(C[C@@H]1CCCOC1)[C@H]1CCCN(C)C1=O ZINC000539811805 388780253 /nfs/dbraw/zinc/78/02/53/388780253.db2.gz OOWHFKVSRCCORB-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN CC1(C)CCN(CC(=O)N2CC[C@@H](O)C2)C1 ZINC000553532904 388781367 /nfs/dbraw/zinc/78/13/67/388781367.db2.gz VOADUFHXSZCLDA-SNVBAGLBSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@H]1CC[N@H+](CC(=O)N(C)Cc2nnc[n-]2)C1 ZINC000553578776 388783064 /nfs/dbraw/zinc/78/30/64/388783064.db2.gz XPDAASKVIQPRPI-VIFPVBQESA-N 0 3 237.307 0.105 20 0 BCADHN C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2nnc[n-]2)C1 ZINC000553578776 388783068 /nfs/dbraw/zinc/78/30/68/388783068.db2.gz XPDAASKVIQPRPI-VIFPVBQESA-N 0 3 237.307 0.105 20 0 BCADHN CCNC(=O)NC(=O)CN(CC)CC(C)C ZINC000193225795 388813163 /nfs/dbraw/zinc/81/31/63/388813163.db2.gz UVOQKITURGIKLJ-UHFFFAOYSA-N 0 3 229.324 0.810 20 0 BCADHN CC[C@@H]1CCCN([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000128696732 388787034 /nfs/dbraw/zinc/78/70/34/388787034.db2.gz VUVKENUPKNLNNQ-NXEZZACHSA-N 0 3 224.304 0.866 20 0 BCADHN C[C@@H]1CSCCN1CCN1CCOCC1 ZINC000334275910 135332808 /nfs/dbraw/zinc/33/28/08/135332808.db2.gz RNOPGBRZMJIHSL-LLVKDONJSA-N 0 3 230.377 0.756 20 0 BCADHN O=C1C[C@H]([C@H]2CCCCN2Cc2cc[nH]n2)CN1 ZINC000539923930 388788866 /nfs/dbraw/zinc/78/88/66/388788866.db2.gz MTRYYEUECVPBST-CMPLNLGQSA-N 0 3 248.330 0.900 20 0 BCADHN CN1CCC[C@H](N2CC[C@@](C)(O)C2)C1=O ZINC000554433946 388815029 /nfs/dbraw/zinc/81/50/29/388815029.db2.gz UWQCQBCRTDHOBI-GXSJLCMTSA-N 0 3 212.293 0.064 20 0 BCADHN COC[C@H](NC(=O)N[C@@H](C)CN(C)C)C(C)C ZINC000554505851 388817689 /nfs/dbraw/zinc/81/76/89/388817689.db2.gz UBJBNQRWVRFJCG-QWRGUYRKSA-N 0 3 245.367 0.907 20 0 BCADHN CCNS(=O)(=O)[C@@H]1CCN(C(C)C)C1 ZINC000092843357 388819319 /nfs/dbraw/zinc/81/93/19/388819319.db2.gz BAAHXLCYJYEDEU-SECBINFHSA-N 0 3 220.338 0.408 20 0 BCADHN CNCC(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000230243534 388821983 /nfs/dbraw/zinc/82/19/83/388821983.db2.gz SEQQIXQCLTWAJY-RKDXNWHRSA-N 0 3 200.282 0.089 20 0 BCADHN CN1CCC[C@H](N2CCC[C@](C)(O)C2)C1=O ZINC000540911865 388825907 /nfs/dbraw/zinc/82/59/07/388825907.db2.gz UXYFRPDSWORSQS-JQWIXIFHSA-N 0 3 226.320 0.454 20 0 BCADHN C[N@@H+]1CCCN(Cc2ncccc2[O-])CC1 ZINC000554854379 388833527 /nfs/dbraw/zinc/83/35/27/388833527.db2.gz OJAFIDMMVQZHKJ-UHFFFAOYSA-N 0 3 221.304 0.925 20 0 BCADHN C[N@H+]1CCCN(Cc2ncccc2[O-])CC1 ZINC000554854379 388833533 /nfs/dbraw/zinc/83/35/33/388833533.db2.gz OJAFIDMMVQZHKJ-UHFFFAOYSA-N 0 3 221.304 0.925 20 0 BCADHN CCO[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000555657229 388858539 /nfs/dbraw/zinc/85/85/39/388858539.db2.gz PSKHJBKEBLSWRL-GARJFASQSA-N 0 3 241.335 0.557 20 0 BCADHN CCC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000649136711 388861294 /nfs/dbraw/zinc/86/12/94/388861294.db2.gz VSAAFHZXZPZEPH-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN COC1(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000648776742 388863233 /nfs/dbraw/zinc/86/32/33/388863233.db2.gz QMAMTZQRHCULPV-LLVKDONJSA-N 0 3 238.331 0.766 20 0 BCADHN COCC[C@@H](C)N1CCN2CCOC[C@@H]2C1 ZINC000541699824 388865048 /nfs/dbraw/zinc/86/50/48/388865048.db2.gz DOCOTGUQKRRSPG-NEPJUHHUSA-N 0 3 228.336 0.428 20 0 BCADHN OCCCCCN1CCN2CCOC[C@H]2C1 ZINC000541697913 388865072 /nfs/dbraw/zinc/86/50/72/388865072.db2.gz VDNLJKITPJRJAK-GFCCVEGCSA-N 0 3 228.336 0.165 20 0 BCADHN C[C@@H](NC(=O)NC[C@]1(O)CCN(C)C1)C1CC1 ZINC000564597965 388880041 /nfs/dbraw/zinc/88/00/41/388880041.db2.gz CJJNEXVGYMNQOD-BXKDBHETSA-N 0 3 241.335 0.151 20 0 BCADHN CC[C@H]1COCCN1C(=O)CN1CC[C@@H](C)C1 ZINC000564736881 388886705 /nfs/dbraw/zinc/88/67/05/388886705.db2.gz PTGCHBUSDUZQJO-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H]1COCCN1C(=O)CN1CC[C@H](C)C1 ZINC000564736882 388887258 /nfs/dbraw/zinc/88/72/58/388887258.db2.gz PTGCHBUSDUZQJO-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](N)C(=O)N1CCOC2(CCCC2)C1 ZINC000152887586 388890768 /nfs/dbraw/zinc/89/07/68/388890768.db2.gz RTRQULROWKLESL-SNVBAGLBSA-N 0 3 226.320 0.895 20 0 BCADHN CC1(C)[C@H](NC(=O)CNC2CC2)[C@H]2CCO[C@H]21 ZINC000564834481 388892582 /nfs/dbraw/zinc/89/25/82/388892582.db2.gz DNKZJMFTPBUTAL-YUSALJHKSA-N 0 3 238.331 0.668 20 0 BCADHN COC[C@H](O)CNCc1ccc(CO)c(F)c1 ZINC000564853104 388894524 /nfs/dbraw/zinc/89/45/24/388894524.db2.gz YOXKRADKECREFW-LLVKDONJSA-N 0 3 243.278 0.415 20 0 BCADHN CCC[C@@H](CNC[C@@H](C)S(C)(=O)=O)OC ZINC000564860867 388895813 /nfs/dbraw/zinc/89/58/13/388895813.db2.gz UBOKOHRZSREFQZ-ZJUUUORDSA-N 0 3 237.365 0.824 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)c3c[nH]cn3)[C@@H]2C1 ZINC000564870991 388896296 /nfs/dbraw/zinc/89/62/96/388896296.db2.gz HJTKKULAIAHPGV-GXSJLCMTSA-N 0 3 234.303 0.576 20 0 BCADHN CN(C)CC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000564949529 388900273 /nfs/dbraw/zinc/90/02/73/388900273.db2.gz YTRBJSHISBYSLV-GFCCVEGCSA-N 0 3 248.330 0.116 20 0 BCADHN CC(C)n1cc([C@H](C)NC(=O)[C@H](C)N)cn1 ZINC000564990161 388906875 /nfs/dbraw/zinc/90/68/75/388906875.db2.gz DFVMCULCJBDGTJ-IUCAKERBSA-N 0 3 224.308 0.988 20 0 BCADHN Cc1nnc([N-]C(=O)[C@@H]2CCCCC[NH2+]2)n1C ZINC000564992686 388907084 /nfs/dbraw/zinc/90/70/84/388907084.db2.gz RUPOWNBAWWHDMF-VIFPVBQESA-N 0 3 237.307 0.594 20 0 BCADHN Cc1nnc(NC(=O)[C@@H]2CCCCCN2)n1C ZINC000564992686 388907081 /nfs/dbraw/zinc/90/70/81/388907081.db2.gz RUPOWNBAWWHDMF-VIFPVBQESA-N 0 3 237.307 0.594 20 0 BCADHN C[C@H](N)C(=O)NCCC[C@H]1CCCCO1 ZINC000564995338 388907189 /nfs/dbraw/zinc/90/71/89/388907189.db2.gz XYHNFQALUCIHKR-VHSXEESVSA-N 0 3 214.309 0.799 20 0 BCADHN FC(F)[C@H]1CNCCN1CCn1cccn1 ZINC000565046736 388911908 /nfs/dbraw/zinc/91/19/08/388911908.db2.gz RXNFBKQLSKCYFG-SECBINFHSA-N 0 3 230.262 0.422 20 0 BCADHN COC[C@@H](C)NC[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894358411 583435834 /nfs/dbraw/zinc/43/58/34/583435834.db2.gz FAEKOWPLYPTNLF-BWZBUEFSSA-N 0 3 237.246 0.665 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)oc1C ZINC000565149756 388916954 /nfs/dbraw/zinc/91/69/54/388916954.db2.gz AMXGMOGZKRLGDU-JTQLQIEISA-N 0 3 238.287 0.615 20 0 BCADHN C[C@H](O)CCCN1CCN(c2ncc[nH]2)CC1 ZINC000565157022 388918207 /nfs/dbraw/zinc/91/82/07/388918207.db2.gz LDMQZWCNEKIDNT-NSHDSACASA-N 0 3 238.335 0.693 20 0 BCADHN CC[C@@](C)(CO)C(=O)NCCN(C)CCOC ZINC000565179577 388922661 /nfs/dbraw/zinc/92/26/61/388922661.db2.gz FLMLIBWQIFGESP-LBPRGKRZSA-N 0 3 246.351 0.089 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)CN1CC(C)(C)C1 ZINC000565185658 388923084 /nfs/dbraw/zinc/92/30/84/388923084.db2.gz NKXZOUIMVOEZGM-LLVKDONJSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@@H](CO)N(C)C(=O)CN1CCC(C)(C)C1 ZINC000565204651 388925314 /nfs/dbraw/zinc/92/53/14/388925314.db2.gz NOGUQVFXELTFML-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@@H](C)N2CC(C)C2)C1 ZINC000565206361 388926027 /nfs/dbraw/zinc/92/60/27/388926027.db2.gz BPXSBYDRGJZNCK-NEPJUHHUSA-N 0 3 239.363 0.537 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000565251755 388932455 /nfs/dbraw/zinc/93/24/55/388932455.db2.gz WFLZYFWKFCCWMY-WRWORJQWSA-N 0 3 219.288 0.720 20 0 BCADHN CC[C@H](N)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000565301602 388935719 /nfs/dbraw/zinc/93/57/19/388935719.db2.gz FLZVOZFNEQWCAO-JTQLQIEISA-N 0 3 235.287 0.409 20 0 BCADHN CCn1nccc1CN1CCNC[C@H]1C(F)F ZINC000564973854 388904067 /nfs/dbraw/zinc/90/40/67/388904067.db2.gz YQPPAVOMQBXQKB-JTQLQIEISA-N 0 3 244.289 0.942 20 0 BCADHN Cc1nscc1C(=O)NC[C@H]1CNCCO1 ZINC000565300682 388935813 /nfs/dbraw/zinc/93/58/13/388935813.db2.gz ZSDYYSCKOXBNPI-MRVPVSSYSA-N 0 3 241.316 0.170 20 0 BCADHN CN(C)C(=O)CCN1CCNC[C@H]1C(F)F ZINC000564986548 388905334 /nfs/dbraw/zinc/90/53/34/388905334.db2.gz VHOOLTOMJIAUDG-QMMMGPOBSA-N 0 3 235.278 0.004 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000565661714 388959826 /nfs/dbraw/zinc/95/98/26/388959826.db2.gz WJXOEHXRQDTBHX-AXFHLTTASA-N 0 3 226.320 0.751 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000565661718 388960007 /nfs/dbraw/zinc/96/00/07/388960007.db2.gz WJXOEHXRQDTBHX-DCAQKATOSA-N 0 3 226.320 0.751 20 0 BCADHN CC(C)O[C@@H]1CCN(CCN2CCNC2=O)C1 ZINC000565652993 388960502 /nfs/dbraw/zinc/96/05/02/388960502.db2.gz BXAFFBFYODGICS-LLVKDONJSA-N 0 3 241.335 0.511 20 0 BCADHN CCC(=O)Nc1cccc(CNC(=O)[C@@H](C)N)c1 ZINC000565717118 388965434 /nfs/dbraw/zinc/96/54/34/388965434.db2.gz VDPNTEKOLMQKDM-SECBINFHSA-N 0 3 249.314 0.999 20 0 BCADHN C[C@@H]1CN(C(=O)c2cccc(N)n2)[C@@H](C)CN1 ZINC000565361044 388939490 /nfs/dbraw/zinc/93/94/90/388939490.db2.gz DXOYXFQZAMNSJM-BDAKNGLRSA-N 0 3 234.303 0.486 20 0 BCADHN CC[C@H](C)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000565379119 388941614 /nfs/dbraw/zinc/94/16/14/388941614.db2.gz UZLXSWCWADFBOO-UWVGGRQHSA-N 0 3 243.351 0.215 20 0 BCADHN CC[C@@H](C)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000565379118 388942169 /nfs/dbraw/zinc/94/21/69/388942169.db2.gz UZLXSWCWADFBOO-NXEZZACHSA-N 0 3 243.351 0.215 20 0 BCADHN CC[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000565379121 388942516 /nfs/dbraw/zinc/94/25/16/388942516.db2.gz UZLXSWCWADFBOO-ZJUUUORDSA-N 0 3 243.351 0.215 20 0 BCADHN OC[C@H](CC(F)F)NC[C@@H](O)C(F)(F)F ZINC000565481506 388948937 /nfs/dbraw/zinc/94/89/37/388948937.db2.gz WZQNIBQYSKIQLD-CRCLSJGQSA-N 0 3 237.168 0.515 20 0 BCADHN CO[C@]1(CNCc2cnc(C)n2C)CCOC1 ZINC000565547605 388952469 /nfs/dbraw/zinc/95/24/69/388952469.db2.gz BYRZTBQRSDLVIO-LBPRGKRZSA-N 0 3 239.319 0.624 20 0 BCADHN O=C(CN1C[C@@H]2CCC[C@@H]2C1)NC1CC1 ZINC000153234554 388954466 /nfs/dbraw/zinc/95/44/66/388954466.db2.gz ZYTCPVMSNFVAHT-AOOOYVTPSA-N 0 3 208.305 0.997 20 0 BCADHN C[C@H](O)[C@H](C)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000565594240 388956179 /nfs/dbraw/zinc/95/61/79/388956179.db2.gz RGOLFOWKSDALSG-LADJIXMOSA-N 0 3 226.320 0.355 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1CC[C@H]1SC ZINC000565833920 388972876 /nfs/dbraw/zinc/97/28/76/388972876.db2.gz MQYKGAIJUMWNHC-ZYUZMQFOSA-N 0 3 217.334 0.884 20 0 BCADHN CCn1ccc(C(=O)NC[C@@H]2CCCN2C)n1 ZINC000565893325 388976366 /nfs/dbraw/zinc/97/63/66/388976366.db2.gz BQXXQKSVHNUOSG-JTQLQIEISA-N 0 3 236.319 0.727 20 0 BCADHN CCN1CC[C@H](NC(=O)Cn2ccnc2)C1 ZINC000565956302 388981371 /nfs/dbraw/zinc/98/13/71/388981371.db2.gz DVPRKJMMLNYCHF-JTQLQIEISA-N 0 3 222.292 0.094 20 0 BCADHN CNS(=O)(=O)CCCN1[C@@H](C)C[C@@H]1C ZINC000565985536 388981774 /nfs/dbraw/zinc/98/17/74/388981774.db2.gz UWXJHTJWZWFGAY-IUCAKERBSA-N 0 3 220.338 0.408 20 0 BCADHN CSC[C@H](O)CN1CCC[C@]12CCNC2=O ZINC000566017912 388983253 /nfs/dbraw/zinc/98/32/53/388983253.db2.gz ONXGSXDJCOYTHN-MWLCHTKSSA-N 0 3 244.360 0.065 20 0 BCADHN CSC[C@H](O)CN1CCC[C@@]12CCNC2=O ZINC000566017911 388983374 /nfs/dbraw/zinc/98/33/74/388983374.db2.gz ONXGSXDJCOYTHN-KOLCDFICSA-N 0 3 244.360 0.065 20 0 BCADHN CN(C)Cc1ccccc1C(=O)N(C)CCO ZINC000566044732 388984250 /nfs/dbraw/zinc/98/42/50/388984250.db2.gz QUOATUDWEIRZCK-UHFFFAOYSA-N 0 3 236.315 0.813 20 0 BCADHN Cc1n[nH]cc1CNC[C@H](O)CCOC(C)C ZINC000566106721 388988355 /nfs/dbraw/zinc/98/83/55/388988355.db2.gz XTOLKRAJAFNFEE-GFCCVEGCSA-N 0 3 241.335 0.984 20 0 BCADHN COc1cc(CN[C@@H](C)CC(N)=O)ccn1 ZINC000267210680 388998992 /nfs/dbraw/zinc/99/89/92/388998992.db2.gz HHGKNGPHQYKIPW-QMMMGPOBSA-N 0 3 223.276 0.444 20 0 BCADHN Cc1ccc([C@@H](O)CN[C@@H](C)CC(N)=O)o1 ZINC000267194361 388999723 /nfs/dbraw/zinc/99/97/23/388999723.db2.gz DTNMXLOGPQMYIJ-CBAPKCEASA-N 0 3 226.276 0.475 20 0 BCADHN COC[C@@](C)(CCO)NCc1c[nH]nc1C ZINC000267328686 388999856 /nfs/dbraw/zinc/99/98/56/388999856.db2.gz HHHYJOPMJPNQMI-LLVKDONJSA-N 0 3 227.308 0.595 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@@H](N)C(C)C ZINC000269276407 389008567 /nfs/dbraw/zinc/00/85/67/389008567.db2.gz WXNZWQVVUAWAOR-VIFPVBQESA-N 0 3 210.281 0.318 20 0 BCADHN CN(C)C1CN(C(=O)c2cncc(O)c2)C1 ZINC000270721182 389012814 /nfs/dbraw/zinc/01/28/14/389012814.db2.gz BUSYNMYTCCWZOA-UHFFFAOYSA-N 0 3 221.260 0.173 20 0 BCADHN CC[C@H]1CN(Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC000270914475 389014938 /nfs/dbraw/zinc/01/49/38/389014938.db2.gz OKJSTWLTFFHICB-WCQYABFASA-N 0 3 248.326 0.988 20 0 BCADHN CN1CC=C(CNCc2cc[nH]n2)CC1 ZINC000271771891 389024896 /nfs/dbraw/zinc/02/48/96/389024896.db2.gz BUHSULMXTUZSOC-UHFFFAOYSA-N 0 3 206.293 0.761 20 0 BCADHN CN1CC=C(CNCc2ncc[nH]2)CC1 ZINC000271902491 389027174 /nfs/dbraw/zinc/02/71/74/389027174.db2.gz QNSMNGNNHZHRCC-UHFFFAOYSA-N 0 3 206.293 0.761 20 0 BCADHN CSC[C@@H](O)CN[C@@H](C)c1cn[nH]c1 ZINC000275239842 389053976 /nfs/dbraw/zinc/05/39/76/389053976.db2.gz WYDCJUBOODJMNT-CBAPKCEASA-N 0 3 215.322 0.784 20 0 BCADHN CSC[C@H](O)CN[C@@H](C)c1cnn(C)c1 ZINC000275252135 389054264 /nfs/dbraw/zinc/05/42/64/389054264.db2.gz YSBHKNUSJJNYLD-WCBMZHEXSA-N 0 3 229.349 0.795 20 0 BCADHN C[C@H](NCCN1CCCC1=O)c1cn[nH]c1 ZINC000273975796 389044866 /nfs/dbraw/zinc/04/48/66/389044866.db2.gz HEYRCZREVSLJHX-VIFPVBQESA-N 0 3 222.292 0.683 20 0 BCADHN CCSCCN[C@H]1CS(=O)(=O)C[C@@H]1C ZINC000348187781 136048475 /nfs/dbraw/zinc/04/84/75/136048475.db2.gz UAFASARUEBHVRA-IUCAKERBSA-N 0 3 237.390 0.762 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](N2CCCC2)C1 ZINC000363458952 169670674 /nfs/dbraw/zinc/67/06/74/169670674.db2.gz DSMBKAJXCZOONL-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CCN(C)C(=O)CN[C@H](C)C(C)(C)OC ZINC000301033575 169675954 /nfs/dbraw/zinc/67/59/54/169675954.db2.gz VYRZFXTYPMYQTC-SECBINFHSA-N 0 3 216.325 0.868 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@@H](C)Cn1cccn1 ZINC000353345317 169689209 /nfs/dbraw/zinc/68/92/09/169689209.db2.gz DYSIENGCBOKAQX-QWRGUYRKSA-N 0 3 238.335 0.728 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@@H]1CN(C)C[C@@H]1C ZINC000336764497 169689817 /nfs/dbraw/zinc/68/98/17/169689817.db2.gz NHDHEBQEOQEEIM-GARJFASQSA-N 0 3 227.352 0.393 20 0 BCADHN C[C@@](O)(CNCc1cnc2cnccn12)C1CC1 ZINC000533466336 322820528 /nfs/dbraw/zinc/82/05/28/322820528.db2.gz AFASONFMRIITAE-CYBMUJFWSA-N 0 3 246.314 0.980 20 0 BCADHN COCCN(CC(=O)N(C)C)CC1CCC1 ZINC000173536805 533319126 /nfs/dbraw/zinc/31/91/26/533319126.db2.gz UYAVTHLHISACOV-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN CO[C@@H]1CN(CCC(=O)OC(C)C)C[C@H]1OC ZINC000488027905 533473793 /nfs/dbraw/zinc/47/37/93/533473793.db2.gz RVNUBSJRCRSAML-GHMZBOCLSA-N 0 3 245.319 0.674 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)/C=C/CN(C)C)C1 ZINC000493623516 533510198 /nfs/dbraw/zinc/51/01/98/533510198.db2.gz GWTLNNIYLUXKFO-XYBNDFSHSA-N 0 3 240.303 0.172 20 0 BCADHN C[C@@H](O)CCCN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000500163197 533590089 /nfs/dbraw/zinc/59/00/89/533590089.db2.gz CECGIDLXJVYKQM-GMTAPVOTSA-N 0 3 226.320 0.358 20 0 BCADHN COc1cccc(C(=O)N[C@@H](C)C[NH3+])c1[O-] ZINC000082584584 322824924 /nfs/dbraw/zinc/82/49/24/322824924.db2.gz ZSKLFGMZMYQMOV-ZETCQYMHSA-N 0 3 224.260 0.478 20 0 BCADHN CNCC(=O)N1CCN(C)c2ncccc21 ZINC000269277833 132194137 /nfs/dbraw/zinc/19/41/37/132194137.db2.gz YHIVMCWBZLPLSW-UHFFFAOYSA-N 0 3 220.276 0.084 20 0 BCADHN COc1ccnc(N2CCN[C@H](C)C2)n1 ZINC000052783464 132228973 /nfs/dbraw/zinc/22/89/73/132228973.db2.gz KCWXKNZVLMQSSJ-MRVPVSSYSA-N 0 3 208.265 0.283 20 0 BCADHN N[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCOC2)C1 ZINC000070195488 132230355 /nfs/dbraw/zinc/23/03/55/132230355.db2.gz YRGCWXGPQGBSIO-NWDGAFQWSA-N 0 3 246.310 0.940 20 0 BCADHN NC(=O)c1cnccc1N1CCN(C2CC2)CC1 ZINC000302229400 132262178 /nfs/dbraw/zinc/26/21/78/132262178.db2.gz RHZBIDRWFZBIFZ-UHFFFAOYSA-N 0 3 246.314 0.465 20 0 BCADHN COc1cnccc1N1CCN(C(N)=O)CC1 ZINC000359186414 132276028 /nfs/dbraw/zinc/27/60/28/132276028.db2.gz MVPWMIWVXJFHFC-UHFFFAOYSA-N 0 3 236.275 0.291 20 0 BCADHN Cc1ccc(N2CCN(C(=O)CN)CC2)c(C)c1 ZINC000008410493 132318880 /nfs/dbraw/zinc/31/88/80/132318880.db2.gz YIJPIGHNINMCBD-UHFFFAOYSA-N 0 3 247.342 0.911 20 0 BCADHN Cc1cc(=O)[nH]c(C(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000408002598 133460961 /nfs/dbraw/zinc/46/09/61/133460961.db2.gz FGUKJTJLJMMIGI-JTQLQIEISA-N 0 3 249.314 0.872 20 0 BCADHN CN(CCNC(=O)N1CC(F)C1)C1CC1 ZINC000345525455 133771108 /nfs/dbraw/zinc/77/11/08/133771108.db2.gz HSGMKNJWIJUDDO-UHFFFAOYSA-N 0 3 215.272 0.444 20 0 BCADHN C[C@H](CCO)NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345691786 133785258 /nfs/dbraw/zinc/78/52/58/133785258.db2.gz KEMPZUIPJUJBBL-VWYCJHECSA-N 0 3 243.351 0.539 20 0 BCADHN CNC(=O)CCCNC(=O)[C@H](C(C)C)N(C)C ZINC000349655430 133897145 /nfs/dbraw/zinc/89/71/45/133897145.db2.gz MTJCFTYLPYEXAZ-NSHDSACASA-N 0 3 243.351 0.215 20 0 BCADHN CN(C)C(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000335785121 133906475 /nfs/dbraw/zinc/90/64/75/133906475.db2.gz YPYAJNRTPLHYOB-JTQLQIEISA-N 0 3 234.299 0.537 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC1CCOCC1 ZINC000351842037 133986428 /nfs/dbraw/zinc/98/64/28/133986428.db2.gz HYDBMJAXUSCWCZ-VIFPVBQESA-N 0 3 229.324 0.415 20 0 BCADHN CCOC1CC(CN2CCN(CCO)CC2)C1 ZINC000351915010 134002004 /nfs/dbraw/zinc/00/20/04/134002004.db2.gz YKFRMLLWGDNUHE-UHFFFAOYSA-N 0 3 242.363 0.411 20 0 BCADHN CC[C@@H](C)N1CCC(S(N)(=O)=O)CC1 ZINC000335920861 134007177 /nfs/dbraw/zinc/00/71/77/134007177.db2.gz UFNJKIVZQOPWHI-MRVPVSSYSA-N 0 3 220.338 0.538 20 0 BCADHN C[C@@H]1CN(Cc2ncnn2C)[C@@H](C)CN1C ZINC000351927516 134008633 /nfs/dbraw/zinc/00/86/33/134008633.db2.gz OLUWHZCTRZITLO-ZJUUUORDSA-N 0 3 223.324 0.340 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1CCc1ccnn1C ZINC000335926122 134008658 /nfs/dbraw/zinc/00/86/58/134008658.db2.gz VZBWTOSHCIZWNE-NWDGAFQWSA-N 0 3 236.363 0.987 20 0 BCADHN CC(C)OC[C@H](O)CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000351929294 134009813 /nfs/dbraw/zinc/00/98/13/134009813.db2.gz YGTNPAMGETXMOY-FRRDWIJNSA-N 0 3 244.379 0.797 20 0 BCADHN CC[C@H](C(=O)N1CCCN(C)CC1)N(C)C ZINC000335931236 134010730 /nfs/dbraw/zinc/01/07/30/134010730.db2.gz GDVTTZBPRLNKNE-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN COCCOCCN1C[C@@H](C)N(C)C[C@H]1C ZINC000351946174 134015544 /nfs/dbraw/zinc/01/55/44/134015544.db2.gz YLUQPOVLLYNNGJ-VXGBXAGGSA-N 0 3 230.352 0.674 20 0 BCADHN CCOC(=O)CCCN1C[C@H](O)[C@@H](C)C1 ZINC000351952896 134016598 /nfs/dbraw/zinc/01/65/98/134016598.db2.gz YXGQOJDGCPXWCV-UWVGGRQHSA-N 0 3 215.293 0.642 20 0 BCADHN C[C@@H]1CN(CCn2cncn2)[C@@H](C)CN1C ZINC000351958919 134017537 /nfs/dbraw/zinc/01/75/37/134017537.db2.gz MJOTYNFLBFZDBT-MNOVXSKESA-N 0 3 223.324 0.303 20 0 BCADHN C[C@@H]1CN(CCC(=O)N(C)C)CCS1 ZINC000335941303 134017571 /nfs/dbraw/zinc/01/75/71/134017571.db2.gz OZBXTDIYNRBXFJ-SECBINFHSA-N 0 3 216.350 0.902 20 0 BCADHN COC[C@H](O)CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000351959600 134018222 /nfs/dbraw/zinc/01/82/22/134018222.db2.gz RHRMOEACSDOLKU-UTUOFQBUSA-N 0 3 243.347 0.883 20 0 BCADHN NS(=O)(=O)[C@@H]1CCCN(CC2CC2)C1 ZINC000335949717 134021417 /nfs/dbraw/zinc/02/14/17/134021417.db2.gz KXLXTVZPJOBJBM-SECBINFHSA-N 0 3 218.322 0.149 20 0 BCADHN CN1CC=C(CNC(=O)[C@]2(C)CCCO2)CC1 ZINC000335953523 134022546 /nfs/dbraw/zinc/02/25/46/134022546.db2.gz BMDWNFBUYBGRBF-ZDUSSCGKSA-N 0 3 238.331 0.934 20 0 BCADHN CC[C@H](OC)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000335966068 134028236 /nfs/dbraw/zinc/02/82/36/134028236.db2.gz SSYSGAGNZAXRJO-AAEUAGOBSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C)CC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000335969172 134029124 /nfs/dbraw/zinc/02/91/24/134029124.db2.gz PJCZFRSFPQLYNB-GHMZBOCLSA-N 0 3 225.336 0.101 20 0 BCADHN CC(C)NS(=O)(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000351999676 134033677 /nfs/dbraw/zinc/03/36/77/134033677.db2.gz MABSXXNGIOQWOF-ZJUUUORDSA-N 0 3 249.380 0.302 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)C1(C)COC1 ZINC000335982751 134038062 /nfs/dbraw/zinc/03/80/62/134038062.db2.gz BDRMISIPKQHPHA-SNVBAGLBSA-N 0 3 226.320 0.576 20 0 BCADHN O=C1NCCN1CCN1CCCC2(CC2)C1 ZINC000335989945 134039923 /nfs/dbraw/zinc/03/99/23/134039923.db2.gz NKRYKEAAOCLWMX-UHFFFAOYSA-N 0 3 223.320 0.888 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@@H](C)[C@H](O)C1 ZINC000335996811 134042439 /nfs/dbraw/zinc/04/24/39/134042439.db2.gz PFUMLIDHMRPYEU-LDYMZIIASA-N 0 3 209.293 0.921 20 0 BCADHN CNC(=O)CN1CCC2(CCOCC2)[C@@H]1C ZINC000335997726 134043355 /nfs/dbraw/zinc/04/33/55/134043355.db2.gz QLEOPQXZJYTGAH-JTQLQIEISA-N 0 3 226.320 0.623 20 0 BCADHN CO[C@@H](C)[C@@H](C)NC(=O)N1CCCN(C)CC1 ZINC000336034318 134059137 /nfs/dbraw/zinc/05/91/37/134059137.db2.gz BDEFQJQJUNYWFP-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H]1C(=O)NCCCN1C[C@H]1CCOC1 ZINC000336052851 134065560 /nfs/dbraw/zinc/06/55/60/134065560.db2.gz ZYLKGYOMBXRPRI-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN CN1CC[C@H]2CCN(C(=O)CC(C)(C)O)[C@H]2C1 ZINC000336062228 134069394 /nfs/dbraw/zinc/06/93/94/134069394.db2.gz WEXOOPZBWKXFEM-QWRGUYRKSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](CNC(=O)C[C@H]1CCOC1)N(C)C ZINC000352146167 134082015 /nfs/dbraw/zinc/08/20/15/134082015.db2.gz HTTWFZCFCKWGKS-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN COC(C)(C)CC(=O)N1CCCN(C)CC1 ZINC000336104179 134083991 /nfs/dbraw/zinc/08/39/91/134083991.db2.gz STZRFFQGAPFIEN-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CC(C)[C@@H](C(=O)N1C[C@@H](O)C2(CC2)C1)N(C)C ZINC000336110613 134086262 /nfs/dbraw/zinc/08/62/62/134086262.db2.gz NPBJBBQCZOBLRT-MNOVXSKESA-N 0 3 240.347 0.556 20 0 BCADHN CNS(=O)(=O)NCC[C@@H](C)N1CCCCC1 ZINC000352158961 134088250 /nfs/dbraw/zinc/08/82/50/134088250.db2.gz PUNNXZYIFCOXCA-SNVBAGLBSA-N 0 3 249.380 0.305 20 0 BCADHN CCN1CCCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000336142222 134100928 /nfs/dbraw/zinc/10/09/28/134100928.db2.gz QZBMCOUGCOHFPY-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(C[C@H](C)O)[C@H](C)C(=O)N(C)C(C)C ZINC000352203541 134103149 /nfs/dbraw/zinc/10/31/49/134103149.db2.gz SQWFENHVXATFIC-WDEREUQCSA-N 0 3 230.352 0.944 20 0 BCADHN Cc1cnn(CC(=O)N2CCN[C@H](C)[C@@H]2C)c1 ZINC000336155798 134105582 /nfs/dbraw/zinc/10/55/82/134105582.db2.gz BCNBTOHKDJMIAU-MNOVXSKESA-N 0 3 236.319 0.400 20 0 BCADHN CC(C(=O)N[C@@H]1CC1(C)C)S(C)(=O)=O ZINC000336157423 134106515 /nfs/dbraw/zinc/10/65/15/134106515.db2.gz UAFJXYLOSPRSIR-RNFRBKRXSA-N 0 3 219.306 0.334 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CC[C@@H](COC)C1 ZINC000352222359 134109393 /nfs/dbraw/zinc/10/93/93/134109393.db2.gz MZLKFASJEBEVEH-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CS(=O)(=O)N1CCCN(CC2CCC2)CC1 ZINC000336173556 134116027 /nfs/dbraw/zinc/11/60/27/134116027.db2.gz QLYDNKCWMPGXIK-UHFFFAOYSA-N 0 3 246.376 0.754 20 0 BCADHN Cc1ccoc1CN1C[C@@H](O)C[C@@H]1CO ZINC000336180793 134119226 /nfs/dbraw/zinc/11/92/26/134119226.db2.gz IXIXYZUIEGFNNA-ZJUUUORDSA-N 0 3 211.261 0.516 20 0 BCADHN Cc1ccoc1CN1C[C@H](O)C[C@@H]1CO ZINC000336180791 134119345 /nfs/dbraw/zinc/11/93/45/134119345.db2.gz IXIXYZUIEGFNNA-NXEZZACHSA-N 0 3 211.261 0.516 20 0 BCADHN CCC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000352280264 134129853 /nfs/dbraw/zinc/12/98/53/134129853.db2.gz PIGHQCWBVIZICF-SNVBAGLBSA-N 0 3 216.350 0.950 20 0 BCADHN C[C@]1(F)CNCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000336212121 134135360 /nfs/dbraw/zinc/13/53/60/134135360.db2.gz IEBXDEYZGTYLFW-JQWIXIFHSA-N 0 3 243.326 0.289 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2(N)CCC2)CN1C1CC1 ZINC000336213117 134135489 /nfs/dbraw/zinc/13/54/89/134135489.db2.gz CVVVXOIPVGCNDZ-ZJUUUORDSA-N 0 3 237.347 0.609 20 0 BCADHN Cc1cc(CN[C@H]2C[C@@H](O)C2(C)C)n(C)n1 ZINC000168227945 134160301 /nfs/dbraw/zinc/16/03/01/134160301.db2.gz QQOHDMRNRXLTIU-WDEREUQCSA-N 0 3 223.320 0.978 20 0 BCADHN O=C1CC[C@H]2CN(CC3(O)CCCC3)CCN12 ZINC000168519678 134225446 /nfs/dbraw/zinc/22/54/46/134225446.db2.gz FHCUJAOLUUHHRB-NSHDSACASA-N 0 3 238.331 0.598 20 0 BCADHN COCCN1CCC[C@@H](CCC(N)=O)C1 ZINC000170733668 134252797 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IMFJOMQJNNDVHE-LLVKDONJSA-N 0 3 229.320 0.903 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@H](O)C(F)(F)F ZINC000225391885 134354640 /nfs/dbraw/zinc/35/46/40/134354640.db2.gz LAPHIIJMLGYTTB-WDSKDSINSA-N 0 3 228.214 0.153 20 0 BCADHN CCOC(=O)CCN[C@H](C(=O)NC)C(C)C ZINC000183662861 134355234 /nfs/dbraw/zinc/35/52/34/134355234.db2.gz XKJSOBVOKXYDLA-JTQLQIEISA-N 0 3 230.308 0.300 20 0 BCADHN C[C@H](O)C1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000225914383 134360326 /nfs/dbraw/zinc/36/03/26/134360326.db2.gz QTRPYHNKJFCLHG-UWVGGRQHSA-N 0 3 228.336 0.556 20 0 BCADHN Cn1cc(CNC[C@H]2CCSC2)nn1 ZINC000226387200 134365307 /nfs/dbraw/zinc/36/53/07/134365307.db2.gz OPOQZICTWQQOTD-MRVPVSSYSA-N 0 3 212.322 0.658 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCN(C)C[C@@H]1C ZINC000226402706 134365930 /nfs/dbraw/zinc/36/59/30/134365930.db2.gz AGVOFGJOZDXFDY-DCAQKATOSA-N 0 3 227.352 0.522 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000184814420 134369266 /nfs/dbraw/zinc/36/92/66/134369266.db2.gz MQCJENSDHIQZMW-VHSXEESVSA-N 0 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CCCCCNC(=O)C[C@H]1CNCCO1 ZINC000085618871 134449038 /nfs/dbraw/zinc/44/90/38/134449038.db2.gz QYZHVOHMPTWDOM-JTQLQIEISA-N 0 3 214.309 0.671 20 0 BCADHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccncc2)C1 ZINC000187882799 134473867 /nfs/dbraw/zinc/47/38/67/134473867.db2.gz GCDOAUOFFQUPPI-VHSXEESVSA-N 0 3 221.260 0.397 20 0 BCADHN O=C(NC[C@H]1CCCC[C@@H]1O)[C@H]1C[C@H](F)CN1 ZINC000188597252 134516187 /nfs/dbraw/zinc/51/61/87/134516187.db2.gz AJULKIKKTCTHAY-YTWAJWBKSA-N 0 3 244.310 0.354 20 0 BCADHN Cc1ccc([O-])c(CN2CC[NH2+][C@H](C)C2)n1 ZINC000085973180 134561032 /nfs/dbraw/zinc/56/10/32/134561032.db2.gz KWDVMPHRYSBCER-SNVBAGLBSA-N 0 3 221.304 0.889 20 0 BCADHN CCOC[C@@H](NC(=O)C(C)(C)N)C(C)C ZINC000233793926 134568583 /nfs/dbraw/zinc/56/85/83/134568583.db2.gz TYLYXIIEEMXKLL-SECBINFHSA-N 0 3 216.325 0.901 20 0 BCADHN COCCNCCNC(=O)CC1CCCC1 ZINC000212781499 134618756 /nfs/dbraw/zinc/61/87/56/134618756.db2.gz OUBPDUFTNBVUGY-UHFFFAOYSA-N 0 3 228.336 0.919 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](CO)CCSC)N(C)C ZINC000132186031 134643375 /nfs/dbraw/zinc/64/33/75/134643375.db2.gz AOBJTUHAHJXISJ-ZJUUUORDSA-N 0 3 248.392 0.557 20 0 BCADHN O=C(c1cn[nH]c1)N1CC[C@@H](N2CCCC2)C1 ZINC000061858045 134802997 /nfs/dbraw/zinc/80/29/97/134802997.db2.gz FYJJHOQCLKYBKO-LLVKDONJSA-N 0 3 234.303 0.720 20 0 BCADHN OCc1ccc(CN2C[C@H](O)C[C@H]2CO)cc1 ZINC000248390185 135001903 /nfs/dbraw/zinc/00/19/03/135001903.db2.gz HPRQBESFVHCEDY-QWHCGFSZSA-N 0 3 237.299 0.106 20 0 BCADHN CO[C@@H](C)CN1CCC[C@H]1C(=O)NC1CC1 ZINC000248411189 135007134 /nfs/dbraw/zinc/00/71/34/135007134.db2.gz DNDFLZZWSPCEON-ONGXEEELSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@@H](COC)N[C@H]1CCCS(=O)(=O)C1 ZINC000070656836 135007631 /nfs/dbraw/zinc/00/76/31/135007631.db2.gz BIECLSIPGOOXFV-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@@H](NC[C@@H](O)CN(C)C)c1nccs1 ZINC000070733161 135012130 /nfs/dbraw/zinc/01/21/30/135012130.db2.gz YLXWKSALOKRPSH-RKDXNWHRSA-N 0 3 229.349 0.716 20 0 BCADHN C[C@H]1CC[C@H](C)N(CCNS(C)(=O)=O)C1 ZINC000076149230 135013065 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/nfs/dbraw/zinc/02/82/35/135028235.db2.gz VGFDAIHUQCZTDE-ONGXEEELSA-N 0 3 209.293 0.623 20 0 BCADHN C[C@H]1COCCN1CCN1CC[C@@H](CO)C1 ZINC000249014335 135029730 /nfs/dbraw/zinc/02/97/30/135029730.db2.gz JCNPDUBXRKYLQN-NWDGAFQWSA-N 0 3 228.336 0.021 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@H]1CC[C@@H](C)O1 ZINC000249029406 135030869 /nfs/dbraw/zinc/03/08/69/135030869.db2.gz FBRZVWYJVLWWNQ-MXWKQRLJSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1COCCN1CCN1CCC[C@@H](CO)C1 ZINC000249057395 135030905 /nfs/dbraw/zinc/03/09/05/135030905.db2.gz PBYOJTIKVSTDOA-CHWSQXEVSA-N 0 3 242.363 0.411 20 0 BCADHN CCN(C)C(=O)CN[C@@]1(C)CCO[C@H]1C ZINC000233446328 135032632 /nfs/dbraw/zinc/03/26/32/135032632.db2.gz ACQPZPGTKRWRAL-ONGXEEELSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1CN(Cc2cccc(C(N)=O)c2)CC[C@H]1O ZINC000249116256 135033030 /nfs/dbraw/zinc/03/30/30/135033030.db2.gz FJOUHERAEXGIAO-ZWNOBZJWSA-N 0 3 248.326 0.988 20 0 BCADHN C[C@H](c1nnnn1C)N1CCN2CCC[C@H]2C1 ZINC000249266025 135036112 /nfs/dbraw/zinc/03/61/12/135036112.db2.gz IMLLXOXRNLZKFN-ZJUUUORDSA-N 0 3 236.323 0.051 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1CCc1ccncc1 ZINC000249379795 135037865 /nfs/dbraw/zinc/03/78/65/135037865.db2.gz ZJULRLOFAFDKIM-NWDGAFQWSA-N 0 3 222.288 0.052 20 0 BCADHN C[C@@H](O)CN1CCCC[C@]1(C)C(N)=O ZINC000249514063 135040846 /nfs/dbraw/zinc/04/08/46/135040846.db2.gz ISTQBEBNZGCFFI-PSASIEDQSA-N 0 3 200.282 0.097 20 0 BCADHN CCN(CC)CC(=O)NCCC(=O)OC(C)C ZINC000076674277 135045589 /nfs/dbraw/zinc/04/55/89/135045589.db2.gz LRRBXECMLSVOIS-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN O=C1CCCN1CCN1CCC(CO)CC1 ZINC000076992222 135057353 /nfs/dbraw/zinc/05/73/53/135057353.db2.gz NZVPXHBLDZWCBD-UHFFFAOYSA-N 0 3 226.320 0.313 20 0 BCADHN CN(C)C(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000251185115 135065417 /nfs/dbraw/zinc/06/54/17/135065417.db2.gz RRJBWTLDELSRCN-JMJZKYOTSA-N 0 3 226.320 0.478 20 0 BCADHN CNCC(=O)NCc1ccnc(N2CCCC2)c1 ZINC000237248312 135070144 /nfs/dbraw/zinc/07/01/44/135070144.db2.gz 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C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCCO ZINC000342340484 135265338 /nfs/dbraw/zinc/26/53/38/135265338.db2.gz QYAAFLHMTGRFJR-GXSJLCMTSA-N 0 3 241.335 0.151 20 0 BCADHN CNC(=O)N[C@@H]1CCN(CC2(C)COC2)C1 ZINC000342336269 135265443 /nfs/dbraw/zinc/26/54/43/135265443.db2.gz ITKMWCYWAROPON-SECBINFHSA-N 0 3 227.308 0.026 20 0 BCADHN CCOCCCN1CC[C@@H](NC(=O)NC)C1 ZINC000342375654 135268308 /nfs/dbraw/zinc/26/83/08/135268308.db2.gz OLNXXISIRFLGEH-SNVBAGLBSA-N 0 3 229.324 0.416 20 0 BCADHN CCOCCCN1CC[C@H](NC(=O)NC)C1 ZINC000342375651 135268386 /nfs/dbraw/zinc/26/83/86/135268386.db2.gz OLNXXISIRFLGEH-JTQLQIEISA-N 0 3 229.324 0.416 20 0 BCADHN CSCC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000342458432 135276854 /nfs/dbraw/zinc/27/68/54/135276854.db2.gz ARYDVLHAQGXNJB-WCBMZHEXSA-N 0 3 228.361 0.948 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CCOC1 ZINC000342461974 135276773 /nfs/dbraw/zinc/27/67/73/135276773.db2.gz ALXHHFAGSPKKDO-JFGNBEQYSA-N 0 3 238.331 0.622 20 0 BCADHN COCCC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342466518 135277809 /nfs/dbraw/zinc/27/78/09/135277809.db2.gz PNMOSVAYNXAUBJ-ONGXEEELSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@H]1CC[C@@H](C(=O)NCCNCCOC)O1 ZINC000262145352 135282421 /nfs/dbraw/zinc/28/24/21/135282421.db2.gz QIHQJDAGFRSFII-QWRGUYRKSA-N 0 3 244.335 0.296 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N(C)CCCOC ZINC000342496876 135283191 /nfs/dbraw/zinc/28/31/91/135283191.db2.gz OFPXOKFWFDXKFQ-SECBINFHSA-N 0 3 245.323 0.189 20 0 BCADHN C[C@H](N)C(=O)N[C@H](CC(N)=O)C1CCCCC1 ZINC000262441033 135299186 /nfs/dbraw/zinc/29/91/86/135299186.db2.gz AWXCWNFCLVQYST-WCBMZHEXSA-N 0 3 241.335 0.274 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@H]1CCCCN1 ZINC000262449413 135299341 /nfs/dbraw/zinc/29/93/41/135299341.db2.gz DVEVJUTZUSVYBO-HBNTYKKESA-N 0 3 228.336 0.652 20 0 BCADHN CC(C)NC(=O)CN(C)[C@@H]1CCN(C(C)C)C1 ZINC000342639538 135299413 /nfs/dbraw/zinc/29/94/13/135299413.db2.gz UGVURNIIXZJOTR-GFCCVEGCSA-N 0 3 241.379 0.926 20 0 BCADHN CCC(=O)c1ccc(C(=O)NCCN)cc1 ZINC000262497808 135302346 /nfs/dbraw/zinc/30/23/46/135302346.db2.gz DZNZEGVAPHQXJA-UHFFFAOYSA-N 0 3 220.272 0.968 20 0 BCADHN CCCNC(=O)CN(C)[C@H]1CCN(C(C)C)C1 ZINC000342680972 135304310 /nfs/dbraw/zinc/30/43/10/135304310.db2.gz MIXSFFHKGMOCSP-LBPRGKRZSA-N 0 3 241.379 0.927 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1CC[C@H](C)[C@@H]1C ZINC000342671871 135309546 /nfs/dbraw/zinc/30/95/46/135309546.db2.gz VQRPWZHHIXPJEJ-GUBZILKMSA-N 0 3 242.319 0.524 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NCC(C)(C)C ZINC000342740063 135310422 /nfs/dbraw/zinc/31/04/22/135310422.db2.gz TYLSRFINAFOVDS-MRVPVSSYSA-N 0 3 230.308 0.429 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NCCC(C)(C)C ZINC000342750181 135310911 /nfs/dbraw/zinc/31/09/11/135310911.db2.gz LJDYJZMTSBTBBA-VIFPVBQESA-N 0 3 244.335 0.819 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)NCC1(C)CC1 ZINC000342752619 135310972 /nfs/dbraw/zinc/31/09/72/135310972.db2.gz PANXMETYVOFZFC-MRVPVSSYSA-N 0 3 228.292 0.183 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N1CCCC[C@@H]1C ZINC000342751408 135311032 /nfs/dbraw/zinc/31/10/32/135311032.db2.gz MRUSROHXPPQPGD-VHSXEESVSA-N 0 3 242.319 0.668 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]1C ZINC000342746818 135311325 /nfs/dbraw/zinc/31/13/25/135311325.db2.gz GNAJVCBIEVRSFU-BDAKNGLRSA-N 0 3 228.292 0.278 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N(C)CC(C)C ZINC000342749583 135311336 /nfs/dbraw/zinc/31/13/36/135311336.db2.gz KQEUNVRGAYMFEJ-VIFPVBQESA-N 0 3 230.308 0.381 20 0 BCADHN CC[C@H](C)CN(C)C(=O)[C@@H](N)CCC(=O)OC ZINC000342755110 135311898 /nfs/dbraw/zinc/31/18/98/135311898.db2.gz ROZLQQBFMNVGIY-UWVGGRQHSA-N 0 3 244.335 0.771 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000262678863 135313382 /nfs/dbraw/zinc/31/33/82/135313382.db2.gz VFQPRRHFHOXURL-ZETCQYMHSA-N 0 3 248.286 0.716 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N1CCC[C@@H](C)C1 ZINC000342717955 135313656 /nfs/dbraw/zinc/31/36/56/135313656.db2.gz DXKHYVSRTGDKGQ-NXEZZACHSA-N 0 3 242.319 0.525 20 0 BCADHN C[C@H](O)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000342719791 135314841 /nfs/dbraw/zinc/31/48/41/135314841.db2.gz CKGBMZNFHCUHEG-GARJFASQSA-N 0 3 226.320 0.452 20 0 BCADHN C[C@H](N[C@H]1CCCN(C)[C@H]1C)C(=O)NC1CC1 ZINC000342718697 135314919 /nfs/dbraw/zinc/31/49/19/135314919.db2.gz FMDHPENJJVMGJN-NHCYSSNCSA-N 0 3 239.363 0.726 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N(C)CC1CC1 ZINC000342722617 135314976 /nfs/dbraw/zinc/31/49/76/135314976.db2.gz IGRXAUBXCGTSRD-SECBINFHSA-N 0 3 228.292 0.135 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@H]1CCCN(C)[C@@H]1C ZINC000342729218 135315344 /nfs/dbraw/zinc/31/53/44/135315344.db2.gz JQZIKSUTEUYTFU-TUAOUCFPSA-N 0 3 241.379 0.973 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CSC(=O)N1 ZINC000262719705 135315710 /nfs/dbraw/zinc/31/57/10/135315710.db2.gz FKILFXAFXSBTQF-RNJXMRFFSA-N 0 3 243.332 0.020 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1CCC(C)(C)C1 ZINC000342730583 135315748 /nfs/dbraw/zinc/31/57/48/135315748.db2.gz MLKFUCVKPOEONK-VIFPVBQESA-N 0 3 242.319 0.525 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1CCOC1 ZINC000334170916 135318109 /nfs/dbraw/zinc/31/81/09/135318109.db2.gz BICSTGKRNHFUAW-VHSXEESVSA-N 0 3 224.304 0.376 20 0 BCADHN COC(=O)[C@@H]1CN(CCC(C)=O)C[C@H]1C ZINC000366787760 135318200 /nfs/dbraw/zinc/31/82/00/135318200.db2.gz TXEAPQJPYRVLPS-PSASIEDQSA-N 0 3 213.277 0.706 20 0 BCADHN C[C@H]1NCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000262816197 135320229 /nfs/dbraw/zinc/32/02/29/135320229.db2.gz RWWDBZHACNIAQT-GHMZBOCLSA-N 0 3 239.363 0.537 20 0 BCADHN C[C@H]1NCCN(C(=O)C2CCN(C)CC2)[C@@H]1C ZINC000262816197 135320230 /nfs/dbraw/zinc/32/02/30/135320230.db2.gz RWWDBZHACNIAQT-GHMZBOCLSA-N 0 3 239.363 0.537 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)C[C@@H]1CCCO1 ZINC000262865091 135321700 /nfs/dbraw/zinc/32/17/00/135321700.db2.gz UMTRFFUYCQKOEZ-AXFHLTTASA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000342758121 135325527 /nfs/dbraw/zinc/32/55/27/135325527.db2.gz VSCGPSUNTTWOLK-KXUCPTDWSA-N 0 3 212.293 0.219 20 0 BCADHN CN(CCNC(=O)[C@H]1CC(F)(F)CN1)C1CC1 ZINC000263079185 135331411 /nfs/dbraw/zinc/33/14/11/135331411.db2.gz XIRHWUNXVCTGIC-SECBINFHSA-N 0 3 247.289 0.194 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC000342931522 135336817 /nfs/dbraw/zinc/33/68/17/135336817.db2.gz FJMIMOQDWJQMAK-SNVBAGLBSA-N 0 3 249.314 0.953 20 0 BCADHN CC[C@H](C(=O)N1CC(CCO)C1)N(CC)CC ZINC000343018023 135345480 /nfs/dbraw/zinc/34/54/80/135345480.db2.gz ULKLRTWRONSGCT-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H]1[C@H](N2CCCC2)CCN1S(C)(=O)=O ZINC000334305496 135348556 /nfs/dbraw/zinc/34/85/56/135348556.db2.gz CVVRTXQFGLDJCU-NXEZZACHSA-N 0 3 232.349 0.505 20 0 BCADHN C[C@H](C[S@](C)=O)NC(=O)[C@H]1CN(C)C[C@@H]1C ZINC000343104537 135362944 /nfs/dbraw/zinc/36/29/44/135362944.db2.gz PSJOVCOPMZCRDE-VTVITOLOSA-N 0 3 246.376 0.067 20 0 BCADHN CC1(C)C[C@@H]1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343162213 135363514 /nfs/dbraw/zinc/36/35/14/135363514.db2.gz GNXVEEJBGFYTLZ-QWRGUYRKSA-N 0 3 237.347 0.291 20 0 BCADHN COCCN(C)CCNC(=O)CC1CCC1 ZINC000079939733 135364850 /nfs/dbraw/zinc/36/48/50/135364850.db2.gz ZFHLAXQEPMZMNA-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN CC[C@H]1CCCN1CC(=O)N1CCN(C)CC1 ZINC000334345608 135365924 /nfs/dbraw/zinc/36/59/24/135365924.db2.gz UZJVEHYYNISJRQ-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000334350744 135368532 /nfs/dbraw/zinc/36/85/32/135368532.db2.gz FQFLGZOGCUAGOF-CMPLNLGQSA-N 0 3 226.320 0.753 20 0 BCADHN CC(=O)N1CCN(C[C@H]2CCCOC2)[C@H](C)C1 ZINC000334357111 135371779 /nfs/dbraw/zinc/37/17/79/135371779.db2.gz PDBGEZFDVHWIJT-DGCLKSJQSA-N 0 3 240.347 0.966 20 0 BCADHN CC(=O)N1CCN(C[C@H]2CCCOC2)[C@@H](C)C1 ZINC000334357112 135372031 /nfs/dbraw/zinc/37/20/31/135372031.db2.gz PDBGEZFDVHWIJT-WCQYABFASA-N 0 3 240.347 0.966 20 0 BCADHN Cn1nccc1CCN1C[C@@H](O)C2(CC2)C1 ZINC000334384818 135381509 /nfs/dbraw/zinc/38/15/09/135381509.db2.gz ITGSUFPHWLDOGQ-LLVKDONJSA-N 0 3 221.304 0.419 20 0 BCADHN Cc1cc(CN2CC[C@H](C)[C@H]2CO)n(C)n1 ZINC000299913074 135382267 /nfs/dbraw/zinc/38/22/67/135382267.db2.gz QEXHAULGBSAGSV-JOYOIKCWSA-N 0 3 223.320 0.931 20 0 BCADHN C[C@H]1CCN(CCc2cnn(C)c2)C[C@H]1O ZINC000299962802 135383144 /nfs/dbraw/zinc/38/31/44/135383144.db2.gz HUPWOOWCFFPAQI-CMPLNLGQSA-N 0 3 223.320 0.665 20 0 BCADHN Cn1cc(NC(=O)[C@H]2CCCCCN2)cn1 ZINC000080993978 135385150 /nfs/dbraw/zinc/38/51/50/135385150.db2.gz HDURGSXGZKTOBH-SNVBAGLBSA-N 0 3 222.292 0.891 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](COC)C1 ZINC000081061422 135385331 /nfs/dbraw/zinc/38/53/31/135385331.db2.gz JXWRBQPZBXLNMS-DCAQKATOSA-N 0 3 228.336 0.855 20 0 BCADHN CCCC[C@H](N)C(=O)N1CCn2cnnc2C1 ZINC000081134575 135386722 /nfs/dbraw/zinc/38/67/22/135386722.db2.gz BHJSBNKMXCBFGT-VIFPVBQESA-N 0 3 237.307 0.138 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC(F)C1 ZINC000334401465 135390102 /nfs/dbraw/zinc/39/01/02/135390102.db2.gz FPNDKIRJVUCSQT-LDYMZIIASA-N 0 3 241.310 0.832 20 0 BCADHN C[C@@H](O)CCN(C)CCN1CCOCC1 ZINC000075782590 135391266 /nfs/dbraw/zinc/39/12/66/135391266.db2.gz JZOPBQHBKCDOHK-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN CC[C@@H](C)CC(=O)NCCNCCOC ZINC000164544120 135392418 /nfs/dbraw/zinc/39/24/18/135392418.db2.gz HXXMBWITEBIVCK-SNVBAGLBSA-N 0 3 216.325 0.775 20 0 BCADHN CCSCCN1CCC[C@H]1C(N)=O ZINC000078031305 135392958 /nfs/dbraw/zinc/39/29/58/135392958.db2.gz SJJGWHHNFOAADE-QMMMGPOBSA-N 0 3 202.323 0.689 20 0 BCADHN Cn1cc(CN2CCC23CCC3)c(=O)n(C)c1=O ZINC000334408461 135394691 /nfs/dbraw/zinc/39/46/91/135394691.db2.gz LMLFJOJVWPQMJY-UHFFFAOYSA-N 0 3 249.314 0.212 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC1CCSCC1 ZINC000078639790 135394948 /nfs/dbraw/zinc/39/49/48/135394948.db2.gz SKBPUDBWXOOUQP-MRVPVSSYSA-N 0 3 237.390 0.905 20 0 BCADHN CNCC(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1 ZINC000083943790 135462309 /nfs/dbraw/zinc/46/23/09/135462309.db2.gz LYRCXRVKHZCEQI-GFCCVEGCSA-N 0 3 247.342 0.909 20 0 BCADHN CN(CC(C)(C)C)C(=O)C[C@H]1CNCCO1 ZINC000085619928 135487080 /nfs/dbraw/zinc/48/70/80/135487080.db2.gz PFYVTHXNKZLLDW-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN COCCNCC(=O)N[C@H]1CCCC1(C)C ZINC000086877378 135498090 /nfs/dbraw/zinc/49/80/90/135498090.db2.gz NIXQUTLFVLXQSZ-JTQLQIEISA-N 0 3 228.336 0.917 20 0 BCADHN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)C(N)=O ZINC000086927150 135499836 /nfs/dbraw/zinc/49/98/36/135499836.db2.gz HXIMHMTUDNGAGX-JGVFFNPUSA-N 0 3 214.309 0.796 20 0 BCADHN CNC(=O)CCNCc1ccc(C)cn1 ZINC000087782326 135512441 /nfs/dbraw/zinc/51/24/41/135512441.db2.gz QHBKQUMVOJWDOA-UHFFFAOYSA-N 0 3 207.277 0.616 20 0 BCADHN C[C@]1(F)CNCCN(Cc2ccno2)C1 ZINC000334973799 135855041 /nfs/dbraw/zinc/85/50/41/135855041.db2.gz IIHYWUXVIBCEBJ-JTQLQIEISA-N 0 3 213.256 0.808 20 0 BCADHN COC(=O)CC1(NCc2cnn(C)c2)CCC1 ZINC000347631668 135993375 /nfs/dbraw/zinc/99/33/75/135993375.db2.gz QKEHQYXLNDJWOI-UHFFFAOYSA-N 0 3 237.303 0.996 20 0 BCADHN Cn1c(CNC(=O)[C@@H]2C[C@@H]2N)nc2ccccc21 ZINC000335282029 136000051 /nfs/dbraw/zinc/00/00/51/136000051.db2.gz QGGYBYNCODPBMJ-BDAKNGLRSA-N 0 3 244.298 0.537 20 0 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ZINC000347750709 136011630 /nfs/dbraw/zinc/01/16/30/136011630.db2.gz OIGFKPWKXDMYDK-MNOVXSKESA-N 0 3 215.293 0.437 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000347797410 136012710 /nfs/dbraw/zinc/01/27/10/136012710.db2.gz ZBXVUBXNHGARDC-VXGBXAGGSA-N 0 3 242.363 0.853 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H]1CC[C@H](C)C1 ZINC000347797409 136012817 /nfs/dbraw/zinc/01/28/17/136012817.db2.gz ZBXVUBXNHGARDC-RYUDHWBXSA-N 0 3 242.363 0.853 20 0 BCADHN CCN(C)CCNC(=O)c1cnn2cccnc12 ZINC000347921931 136018704 /nfs/dbraw/zinc/01/87/04/136018704.db2.gz MHRAYQZOOAEQQJ-UHFFFAOYSA-N 0 3 247.302 0.411 20 0 BCADHN COCCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000347942224 136019451 /nfs/dbraw/zinc/01/94/51/136019451.db2.gz HTLNDWYOECOOPW-NSHDSACASA-N 0 3 226.320 0.576 20 0 BCADHN C[C@H]1NC(=O)N(CCN2CCCC2)C1=O ZINC000335302953 136021151 /nfs/dbraw/zinc/02/11/51/136021151.db2.gz FGTVKIRTEGRHPG-MRVPVSSYSA-N 0 3 211.265 0.023 20 0 BCADHN CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2N)c1C ZINC000335300714 136023673 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0.083 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651940955 411154522 /nfs/dbraw/zinc/15/45/22/411154522.db2.gz GPHLHWBCFDGGGV-AOOOYVTPSA-N 0 3 236.319 0.390 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NC1CCSCC1 ZINC000309503041 411155391 /nfs/dbraw/zinc/15/53/91/411155391.db2.gz MEHSVXQQBXATBZ-VIFPVBQESA-N 0 3 228.361 0.996 20 0 BCADHN Cc1c[nH]nc1CNCC[C@]1(O)CCOC1 ZINC000651945391 411156643 /nfs/dbraw/zinc/15/66/43/411156643.db2.gz ZWGPSBZXBGDBIM-NSHDSACASA-N 0 3 225.292 0.349 20 0 BCADHN COCCN(C)C(=O)N[C@H](CN)C(F)(F)F ZINC000655911725 411157415 /nfs/dbraw/zinc/15/74/15/411157415.db2.gz MCUFVEMHSXGIEB-ZCFIWIBFSA-N 0 3 243.229 0.164 20 0 BCADHN NC[C@H](NC(=O)NCC1CC1)C(F)(F)F ZINC000655913461 411157502 /nfs/dbraw/zinc/15/75/02/411157502.db2.gz UNORMOGMEIJUFA-LURJTMIESA-N 0 3 225.214 0.585 20 0 BCADHN CN1CCN(C[C@@H]2CCC(=O)N2)CC1(C)C ZINC000653660795 411158918 /nfs/dbraw/zinc/15/89/18/411158918.db2.gz ROCWINCYFBFZBT-JTQLQIEISA-N 0 3 225.336 0.291 20 0 BCADHN O[C@]1(CCNCc2ccncc2F)CCOC1 ZINC000651944733 411159055 /nfs/dbraw/zinc/15/90/55/411159055.db2.gz CVHVSVCEYCPYEJ-GFCCVEGCSA-N 0 3 240.278 0.852 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1Cc1[nH]ncc1C ZINC000651950177 411161110 /nfs/dbraw/zinc/16/11/10/411161110.db2.gz JNIDJAFCVXIJLU-NXEZZACHSA-N 0 3 225.292 0.300 20 0 BCADHN COCCn1cc(CN(C)[C@@H](C)CCO)cn1 ZINC000652048051 411098536 /nfs/dbraw/zinc/09/85/36/411098536.db2.gz DPNLDSDRZICASS-NSHDSACASA-N 0 3 241.335 0.732 20 0 BCADHN COCCn1cc(CN(C)[C@H](C)CCO)cn1 ZINC000652048050 411099299 /nfs/dbraw/zinc/09/92/99/411099299.db2.gz DPNLDSDRZICASS-LLVKDONJSA-N 0 3 241.335 0.732 20 0 BCADHN CN1CC[C@H](N2CCC[C@](O)(C3CC3)C2)C1=O ZINC000661627653 411100999 /nfs/dbraw/zinc/10/09/99/411100999.db2.gz KWUHJLPLQMYKCG-WCQYABFASA-N 0 3 238.331 0.454 20 0 BCADHN CN1CC[C@@H](N2CCC[C@](O)(C3CC3)C2)C1=O ZINC000661627651 411101008 /nfs/dbraw/zinc/10/10/08/411101008.db2.gz KWUHJLPLQMYKCG-DGCLKSJQSA-N 0 3 238.331 0.454 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661630080 411106825 /nfs/dbraw/zinc/10/68/25/411106825.db2.gz KAALUFPCMNLWQQ-RGOKHQFPSA-N 0 3 214.309 0.199 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@](O)(C2CC2)C1 ZINC000661630436 411107858 /nfs/dbraw/zinc/10/78/58/411107858.db2.gz AATHKSLYYCVACD-ZYHUDNBSSA-N 0 3 226.320 0.487 20 0 BCADHN Cc1nc(CCN[C@H]2CCCn3ccnc32)n[nH]1 ZINC000655751313 411161724 /nfs/dbraw/zinc/16/17/24/411161724.db2.gz LGBWRUVECZLQJK-JTQLQIEISA-N 0 3 246.318 0.977 20 0 BCADHN Cc1n[nH]c(CCN[C@H]2CCCn3ccnc32)n1 ZINC000655751313 411161729 /nfs/dbraw/zinc/16/17/29/411161729.db2.gz LGBWRUVECZLQJK-JTQLQIEISA-N 0 3 246.318 0.977 20 0 BCADHN CCN1CC[C@H](N2CC[C@]3(CCOC3)C2)C1=O ZINC000659997532 411161919 /nfs/dbraw/zinc/16/19/19/411161919.db2.gz JVPJNZASLLUXPT-AAEUAGOBSA-N 0 3 238.331 0.720 20 0 BCADHN CCc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)[nH]n1 ZINC000644813236 411123383 /nfs/dbraw/zinc/12/33/83/411123383.db2.gz AAMLVRDQLATCKM-BXKDBHETSA-N 0 3 248.330 0.748 20 0 BCADHN CCc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)n[nH]1 ZINC000644813236 411123386 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0.047 20 0 BCADHN O=C1NCCC[C@@H]1CN[C@@H]1CCCn2nccc21 ZINC000658034715 411209672 /nfs/dbraw/zinc/20/96/72/411209672.db2.gz NLFQCXJQUMALGK-GHMZBOCLSA-N 0 3 248.330 0.834 20 0 BCADHN C[C@H](O)CN(CCn1cccn1)C1CC1 ZINC000653897883 411214386 /nfs/dbraw/zinc/21/43/86/411214386.db2.gz BHOLXWRPVOFDFO-JTQLQIEISA-N 0 3 209.293 0.728 20 0 BCADHN COCCOCCN(C[C@H](C)O)C1CC1 ZINC000653898968 411215022 /nfs/dbraw/zinc/21/50/22/411215022.db2.gz UQVSUOLMPZXGCA-JTQLQIEISA-N 0 3 217.309 0.495 20 0 BCADHN C[C@@H](O)CN(CCn1ccccc1=O)C1CC1 ZINC000653898851 411215688 /nfs/dbraw/zinc/21/56/88/411215688.db2.gz RDGQOHSPTFLRHX-LLVKDONJSA-N 0 3 236.315 0.694 20 0 BCADHN C[C@@H]1CC[C@@H](NC2(C(N)=O)CC2)CS1 ZINC000656255292 411217884 /nfs/dbraw/zinc/21/78/84/411217884.db2.gz JHLBVOODHRYZFT-HTQZYQBOSA-N 0 3 214.334 0.878 20 0 BCADHN C[C@@H]1CC[C@H](NC2(C(N)=O)CC2)CS1 ZINC000656255299 411217914 /nfs/dbraw/zinc/21/79/14/411217914.db2.gz JHLBVOODHRYZFT-SFYZADRCSA-N 0 3 214.334 0.878 20 0 BCADHN CC(C)(C)CS(=O)(=O)NCCNC1CC1 ZINC000070712646 411218042 /nfs/dbraw/zinc/21/80/42/411218042.db2.gz ONLFDQJHMPKNNV-UHFFFAOYSA-N 0 3 234.365 0.704 20 0 BCADHN CO[C@](C)(CO)CN[C@@H]1CCCn2nccc21 ZINC000658048680 411218683 /nfs/dbraw/zinc/21/86/83/411218683.db2.gz WTXCIHHYIQQSJT-PWSUYJOCSA-N 0 3 239.319 0.705 20 0 BCADHN C[C@H](O)CN(C[C@@H]1CCC(=O)N1)C1CC1 ZINC000653902941 411218973 /nfs/dbraw/zinc/21/89/73/411218973.db2.gz AXNJTVWXLQXANN-IUCAKERBSA-N 0 3 212.293 0.110 20 0 BCADHN C[C@@H](Cc1ccoc1)N[C@H]1CCNC1=O ZINC000658052626 411219541 /nfs/dbraw/zinc/21/95/41/411219541.db2.gz MTCRHXCGEUYACV-WPRPVWTQSA-N 0 3 208.261 0.689 20 0 BCADHN CCN(CCCO)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000313817481 411221290 /nfs/dbraw/zinc/22/12/90/411221290.db2.gz AOXZMTGSRGFBBD-STQMWFEESA-N 0 3 244.379 0.800 20 0 BCADHN C[C@@H]1C[C@@H](N[C@H]2CCNC2=O)CN1C1CC1 ZINC000658055683 411222308 /nfs/dbraw/zinc/22/23/08/411222308.db2.gz UCHFLIPXLXIMIM-KKZNHRDASA-N 0 3 223.320 0.090 20 0 BCADHN CO[C@](C)(CO)CN[C@H](C)c1cn(C)nc1C ZINC000655784438 411222880 /nfs/dbraw/zinc/22/28/80/411222880.db2.gz CMXREUGCNUDLIY-SKDRFNHKSA-N 0 3 241.335 0.777 20 0 BCADHN CCn1cc([C@@H](C)NC[C@@](C)(CO)OC)cn1 ZINC000655784382 411222982 /nfs/dbraw/zinc/22/29/82/411222982.db2.gz BSXXDYQCCZHGNM-PWSUYJOCSA-N 0 3 241.335 0.951 20 0 BCADHN Cn1nnc2c1CC[C@H](NC1CSC1)C2 ZINC000656273925 411223439 /nfs/dbraw/zinc/22/34/39/411223439.db2.gz SXYYMVSGNLPEGP-ZETCQYMHSA-N 0 3 224.333 0.377 20 0 BCADHN Cc1nccn1CCNC(=O)c1ccc(CN)o1 ZINC000310675131 411246990 /nfs/dbraw/zinc/24/69/90/411246990.db2.gz JCYHCUVYWCWMHO-UHFFFAOYSA-N 0 3 248.286 0.673 20 0 BCADHN CN(Cc1cn[nH]c1)C(=O)[C@@H](N)C(C)(C)C ZINC000069763501 411224412 /nfs/dbraw/zinc/22/44/12/411224412.db2.gz YZDMKTSSVSWNOO-SECBINFHSA-N 0 3 224.308 0.742 20 0 BCADHN CC[C@@H](NC[C@@](C)(CO)OC)c1cnn(C)c1 ZINC000655784600 411224513 /nfs/dbraw/zinc/22/45/13/411224513.db2.gz DIIGTVFLDWWPIG-NEPJUHHUSA-N 0 3 241.335 0.858 20 0 BCADHN NS(=O)(=O)[C@@H]1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660127213 411247269 /nfs/dbraw/zinc/24/72/69/411247269.db2.gz AXRUIENEOXRAJQ-LMLFDSFASA-N 0 3 244.360 0.395 20 0 BCADHN Cn1nccc1CNC(=O)[C@@H](N)C1CCC1 ZINC000399041497 411228595 /nfs/dbraw/zinc/22/85/95/411228595.db2.gz QGBMOBPFCMWUMS-JTQLQIEISA-N 0 3 222.292 0.164 20 0 BCADHN C[C@@H](N[C@@H](CO)C1CCC1)c1ccc(=O)[nH]n1 ZINC000658087659 411238744 /nfs/dbraw/zinc/23/87/44/411238744.db2.gz LUKLRABNTXPNML-KCJUWKMLSA-N 0 3 237.303 0.994 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H](CO)C1CCC1 ZINC000658088802 411239495 /nfs/dbraw/zinc/23/94/95/411239495.db2.gz VPGKXPLNULUODX-SCZZXKLOSA-N 0 3 235.349 0.170 20 0 BCADHN CC[C@@]1(C)COCCN1CCc1c[nH]nn1 ZINC000660147540 411262937 /nfs/dbraw/zinc/26/29/37/411262937.db2.gz CVAFGRSJMFTBMU-NSHDSACASA-N 0 3 224.308 0.848 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CCO[C@@H]1CC1(F)F ZINC000660148381 411264043 /nfs/dbraw/zinc/26/40/43/411264043.db2.gz KXSYNNOUQXZGQG-IWSPIJDZSA-N 0 3 221.247 0.866 20 0 BCADHN CCC[C@@H](N)c1cn(-c2ccnc(CO)c2)nn1 ZINC000656459178 411268958 /nfs/dbraw/zinc/26/89/58/411268958.db2.gz QHACKFITARTCQZ-LLVKDONJSA-N 0 3 247.302 0.955 20 0 BCADHN CC(C)[C@H](N)c1cn(-c2ccnc(CO)c2)nn1 ZINC000656458875 411269249 /nfs/dbraw/zinc/26/92/49/411269249.db2.gz JRXZCSWXFNKHGG-LBPRGKRZSA-N 0 3 247.302 0.810 20 0 BCADHN CNC(C)(C)c1cn(-c2ccnc(CO)c2)nn1 ZINC000656458812 411269386 /nfs/dbraw/zinc/26/93/86/411269386.db2.gz HXMJWMOFDFVZEW-UHFFFAOYSA-N 0 3 247.302 0.609 20 0 BCADHN CCC[C@H](N)c1cn(-c2ccnc(CO)c2)nn1 ZINC000656459179 411269659 /nfs/dbraw/zinc/26/96/59/411269659.db2.gz QHACKFITARTCQZ-NSHDSACASA-N 0 3 247.302 0.955 20 0 BCADHN COCc1n[nH]c(CN[C@H](COC)C(C)C)n1 ZINC000658158137 411271144 /nfs/dbraw/zinc/27/11/44/411271144.db2.gz GDLFSWFWVDRKIY-SECBINFHSA-N 0 3 242.323 0.712 20 0 BCADHN CN(Cc1ncc[nH]1)C(=O)[C@H]1CCCCN1 ZINC000070645718 411271763 /nfs/dbraw/zinc/27/17/63/411271763.db2.gz XIGMCSQMVMXVNS-SECBINFHSA-N 0 3 222.292 0.510 20 0 BCADHN CCO[C@H]1C[C@H](N[C@H](C)CS(C)(=O)=O)C1 ZINC000658159671 411273218 /nfs/dbraw/zinc/27/32/18/411273218.db2.gz BMGDIXRLCDRZKB-OPRDCNLKSA-N 0 3 235.349 0.577 20 0 BCADHN COCc1nnc(C[NH2+]C2CC(C)C2)[n-]1 ZINC000658160755 411273866 /nfs/dbraw/zinc/27/38/66/411273866.db2.gz ZPUXNHXTXUGVFB-UHFFFAOYSA-N 0 3 210.281 0.839 20 0 BCADHN COCc1n[nH]c(CNC2CC(C)C2)n1 ZINC000658160755 411273869 /nfs/dbraw/zinc/27/38/69/411273869.db2.gz ZPUXNHXTXUGVFB-UHFFFAOYSA-N 0 3 210.281 0.839 20 0 BCADHN CC[C@@](C)(N)c1cn(CC2(C)COC2)nn1 ZINC000656453119 411274566 /nfs/dbraw/zinc/27/45/66/411274566.db2.gz HEWZRBZBKJQKRC-LLVKDONJSA-N 0 3 224.308 0.899 20 0 BCADHN Cc1cc(C)cc(OCCNC(CO)CO)c1 ZINC000653733064 411275404 /nfs/dbraw/zinc/27/54/04/411275404.db2.gz WBUKHHAXEIULGD-UHFFFAOYSA-N 0 3 239.315 0.625 20 0 BCADHN Cc1cccc(OCCNC(CO)CO)c1 ZINC000653733127 411275424 /nfs/dbraw/zinc/27/54/24/411275424.db2.gz XUSRPQZRLDNCBC-UHFFFAOYSA-N 0 3 225.288 0.317 20 0 BCADHN CC[C@@H](N)c1cn(-c2cc(C)nn2C)nn1 ZINC000656465873 411278102 /nfs/dbraw/zinc/27/81/02/411278102.db2.gz MARHTEHCAOLYEF-MRVPVSSYSA-N 0 3 220.280 0.719 20 0 BCADHN CC[C@@H](C)N1CCN(c2nncn2C)CC1 ZINC000653462797 411280210 /nfs/dbraw/zinc/28/02/10/411280210.db2.gz MIAVFUSGIDBCHG-SNVBAGLBSA-N 0 3 223.324 0.736 20 0 BCADHN C[C@@H](CN1CCCCC1)N=c1nc[nH]n1C ZINC000653462884 411280238 /nfs/dbraw/zinc/28/02/38/411280238.db2.gz QHTSGTYEONPZLR-JTQLQIEISA-N 0 3 223.324 0.523 20 0 BCADHN CO[C@@H]1COC[C@H]1n1cc([C@H](N)C(C)C)nn1 ZINC000656468391 411280623 /nfs/dbraw/zinc/28/06/23/411280623.db2.gz ZVBMTEGQYLRQLG-GMTAPVOTSA-N 0 3 240.307 0.520 20 0 BCADHN C[C@H]1C[C@@H](Nc2ncnn2C)CCN1C ZINC000653464967 411282115 /nfs/dbraw/zinc/28/21/15/411282115.db2.gz NSGUFWDHEIQNEZ-IUCAKERBSA-N 0 3 209.297 0.132 20 0 BCADHN CCN1CC[C@@H](N[C@H](C)[C@H](C)OC)C1=O ZINC000656488275 411284559 /nfs/dbraw/zinc/28/45/59/411284559.db2.gz NPAYZVRIOFLRIT-KXUCPTDWSA-N 0 3 214.309 0.620 20 0 BCADHN Cn1ncnc1N1CC[C@@]2(C1)CCCN(C)C2 ZINC000653466128 411284588 /nfs/dbraw/zinc/28/45/88/411284588.db2.gz YZTGILUGAQIMTG-LBPRGKRZSA-N 0 3 235.335 0.737 20 0 BCADHN Cc1noc([C@H](C)NC(=O)[C@H]2CCCCN2)n1 ZINC000430279412 411285332 /nfs/dbraw/zinc/28/53/32/411285332.db2.gz SJJXBOVZMQVBNB-IONNQARKSA-N 0 3 238.291 0.697 20 0 BCADHN CN(C[C@@H]1CCCN1C)c1ncnn1C ZINC000653466683 411285619 /nfs/dbraw/zinc/28/56/19/411285619.db2.gz RMUYEAXOLPDUQQ-VIFPVBQESA-N 0 3 209.297 0.346 20 0 BCADHN CCCN(CC(N)=O)C[C@H]1CCCN1C ZINC000649617536 411291255 /nfs/dbraw/zinc/29/12/55/411291255.db2.gz MVAFGIRNQJHWLV-SNVBAGLBSA-N 0 3 213.325 0.278 20 0 BCADHN COCCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000656537472 411291912 /nfs/dbraw/zinc/29/19/12/411291912.db2.gz IXEQFEZIICGFRI-SNVBAGLBSA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@@H](C)[C@@H](C)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000660196856 411294420 /nfs/dbraw/zinc/29/44/20/411294420.db2.gz MDUBUOYVROCJDQ-DBIOUOCHSA-N 0 3 249.376 0.823 20 0 BCADHN CC[C@H](C)[C@@H](C)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000660196861 411294433 /nfs/dbraw/zinc/29/44/33/411294433.db2.gz MDUBUOYVROCJDQ-ZDCRXTMVSA-N 0 3 249.376 0.823 20 0 BCADHN CN1C[C@@H]2CCCN(c3ncnn3C)[C@@H]2C1 ZINC000653471640 411294511 /nfs/dbraw/zinc/29/45/11/411294511.db2.gz VJNCWNGUZTYQLP-VHSXEESVSA-N 0 3 221.308 0.346 20 0 BCADHN NC(=O)CC1(CN[C@@H]2CCCn3ccnc32)CC1 ZINC000655777526 411296774 /nfs/dbraw/zinc/29/67/74/411296774.db2.gz VOANIROLMDUVQO-SNVBAGLBSA-N 0 3 248.330 0.963 20 0 BCADHN COC(=O)c1cc(CNC(C)(C)CO)[nH]c1C ZINC000602593567 411297352 /nfs/dbraw/zinc/29/73/52/411297352.db2.gz JUOVWPYLABZTCX-UHFFFAOYSA-N 0 3 240.303 0.970 20 0 BCADHN CC(C)CN1CCN(C[C@@H]2CNC(=O)C2)CC1 ZINC000659809649 411298007 /nfs/dbraw/zinc/29/80/07/411298007.db2.gz HTMTXFWWXYMZBX-LBPRGKRZSA-N 0 3 239.363 0.396 20 0 BCADHN Cn1cc(CNC(=O)C2(N)CCCC2)cn1 ZINC000041055077 411330293 /nfs/dbraw/zinc/33/02/93/411330293.db2.gz NDQUUKBVWQZTHX-UHFFFAOYSA-N 0 3 222.292 0.308 20 0 BCADHN CC(C)NCc1nc([C@H]2CCCN2)no1 ZINC000656561330 411300951 /nfs/dbraw/zinc/30/09/51/411300951.db2.gz SANZWYIHUTXYHE-MRVPVSSYSA-N 0 3 210.281 0.992 20 0 BCADHN C[C@H](CN(C)CC(=O)NC(N)=O)C(C)(C)C ZINC000603055930 411301626 /nfs/dbraw/zinc/30/16/26/411301626.db2.gz OSHQZVGBFNIJBX-MRVPVSSYSA-N 0 3 229.324 0.795 20 0 BCADHN O=C1C[C@H](CN2CCC[C@@H](OC(F)F)C2)CN1 ZINC000660236423 411302111 /nfs/dbraw/zinc/30/21/11/411302111.db2.gz OSCIPRPZLHKHRA-DTWKUNHWSA-N 0 3 248.273 0.826 20 0 BCADHN Cc1noc(CN(C)C(=O)[C@@H]2NCC2(C)C)n1 ZINC000655527018 411306853 /nfs/dbraw/zinc/30/68/53/411306853.db2.gz GZWUOPMRYJXERR-VIFPVBQESA-N 0 3 238.291 0.334 20 0 BCADHN CCn1nnc(C)c1CN1CCC[C@@H]1[C@H](C)O ZINC000661768706 411309787 /nfs/dbraw/zinc/30/97/87/411309787.db2.gz ZXXMDNROWQZHGW-WDEREUQCSA-N 0 3 238.335 0.952 20 0 BCADHN CCO[C@@H](C)c1nccn1C[C@H]1CNCCO1 ZINC000656611284 411309817 /nfs/dbraw/zinc/30/98/17/411309817.db2.gz FEQZWOMUCHSTPD-WDEREUQCSA-N 0 3 239.319 0.969 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@H](CO)CC1CC1 ZINC000658245978 411311630 /nfs/dbraw/zinc/31/16/30/411311630.db2.gz BFTVLOUAWLKUPR-MWLCHTKSSA-N 0 3 249.376 0.418 20 0 BCADHN CC[C@H](O)CNCc1cc(=O)n2ccccc2n1 ZINC000124711062 411312883 /nfs/dbraw/zinc/31/28/83/411312883.db2.gz NTRPCDYIAHADOF-NSHDSACASA-N 0 3 247.298 0.555 20 0 BCADHN CN(CCNC(=O)[C@@H]1C[C@H]1c1nnc[nH]1)C1CC1 ZINC000371575425 411332134 /nfs/dbraw/zinc/33/21/34/411332134.db2.gz PCMDRXFKBUBQOF-NXEZZACHSA-N 0 3 249.318 0.119 20 0 BCADHN CC[C@@H]1CN(C[C@H]2CNC(=O)C2)CCO1 ZINC000659838410 411317603 /nfs/dbraw/zinc/31/76/03/411317603.db2.gz ODVSMZWWEPRDMD-NXEZZACHSA-N 0 3 212.293 0.233 20 0 BCADHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000658410296 411319519 /nfs/dbraw/zinc/31/95/19/411319519.db2.gz IQSGYXMELLDOOJ-SSDOTTSWSA-N 0 3 247.295 0.107 20 0 BCADHN Cc1cncc(CCN2C[C@H](O)C[C@@H]2C)n1 ZINC000402918664 411320950 /nfs/dbraw/zinc/32/09/50/411320950.db2.gz PYROFOYTGAXHJD-CMPLNLGQSA-N 0 3 221.304 0.783 20 0 BCADHN Cc1cncc(CCN2C[C@@H](C)[C@@H](O)C2)n1 ZINC000402900395 411321379 /nfs/dbraw/zinc/32/13/79/411321379.db2.gz KYNWNOUQPITZBA-SKDRFNHKSA-N 0 3 221.304 0.640 20 0 BCADHN Cc1cncc(CCN(CCO)C2CC2)n1 ZINC000402925858 411322248 /nfs/dbraw/zinc/32/22/48/411322248.db2.gz TUUGQBBEBQYSCK-UHFFFAOYSA-N 0 3 221.304 0.784 20 0 BCADHN Cc1cncc(CCN2CCC[C@H](O)C2)n1 ZINC000402939968 411322455 /nfs/dbraw/zinc/32/24/55/411322455.db2.gz ZYMJPOOXFFMVML-LBPRGKRZSA-N 0 3 221.304 0.784 20 0 BCADHN COC[C@H]1CCN1CC1(O)CCSCC1 ZINC000656699429 411323984 /nfs/dbraw/zinc/32/39/84/411323984.db2.gz FGOJTXOFMKTRKK-SNVBAGLBSA-N 0 3 231.361 0.965 20 0 BCADHN CC(C)(O)C1CN(CC2(O)CCSCC2)C1 ZINC000656698625 411324814 /nfs/dbraw/zinc/32/48/14/411324814.db2.gz BJMNCXZHOUZJAS-UHFFFAOYSA-N 0 3 245.388 0.947 20 0 BCADHN COCCC1(C)CN(C[C@@]2(O)CCCOC2)C1 ZINC000656700979 411325543 /nfs/dbraw/zinc/32/55/43/411325543.db2.gz YLOHAZCIVHZLRK-ZDUSSCGKSA-N 0 3 243.347 0.886 20 0 BCADHN Cc1cccc(N(C)C(=O)CN2CCNCC2)c1 ZINC000049989362 411249220 /nfs/dbraw/zinc/24/92/20/411249220.db2.gz PITCCMJZBKAHFV-UHFFFAOYSA-N 0 3 247.342 0.863 20 0 BCADHN O=C1[N-]C(=O)C2(CC[NH+](CC3CC=CC3)CC2)N1 ZINC000660134685 411252653 /nfs/dbraw/zinc/25/26/53/411252653.db2.gz 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0.193 20 0 BCADHN CC1CCN(CCN(C)[C@H]2COC[C@@H]2O)CC1 ZINC000352801679 168179362 /nfs/dbraw/zinc/17/93/62/168179362.db2.gz TXXOJUCYDYRBEH-STQMWFEESA-N 0 3 242.363 0.410 20 0 BCADHN CC1CCN(C[C@H](O)CNC(=O)C2CC2)CC1 ZINC000304003324 168183046 /nfs/dbraw/zinc/18/30/46/168183046.db2.gz RWKWWWISAQXWMV-GFCCVEGCSA-N 0 3 240.347 0.605 20 0 BCADHN CC[C@H](C(N)=O)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000656916368 411387981 /nfs/dbraw/zinc/38/79/81/411387981.db2.gz ONVKYXNIMUPJQP-AXFHLTTASA-N 0 3 238.331 0.751 20 0 BCADHN C[C@@H](C(=O)N(C)CCN1CCCCC1)N(C)C ZINC000652989989 411389335 /nfs/dbraw/zinc/38/93/35/411389335.db2.gz AFWXSSQKQJZEMD-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CN(CCN1CCCCC1)C(=O)[C@@H]1CCOC1 ZINC000652988916 411389393 /nfs/dbraw/zinc/38/93/93/411389393.db2.gz OHINPHUSDSRVPA-GFCCVEGCSA-N 0 3 240.347 0.967 20 0 BCADHN COCCC(=O)N(C)CCN1CCCCC1 ZINC000652988934 411389684 /nfs/dbraw/zinc/38/96/84/411389684.db2.gz OXMYECUDHJDZMP-UHFFFAOYSA-N 0 3 228.336 0.967 20 0 BCADHN CCC(=O)CCN1CC[C@@H](n2cncn2)C1 ZINC000376453168 168202133 /nfs/dbraw/zinc/20/21/33/168202133.db2.gz CGSBJGPFVCMHPF-SNVBAGLBSA-N 0 3 222.292 0.894 20 0 BCADHN CC(=O)N1CC(N[C@@H]2CCOC2(C)C)C1 ZINC000655780765 411389844 /nfs/dbraw/zinc/38/98/44/411389844.db2.gz IABRPBHRVOFOHK-SNVBAGLBSA-N 0 3 212.293 0.374 20 0 BCADHN CCC(=O)CCN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000372845664 168205508 /nfs/dbraw/zinc/20/55/08/168205508.db2.gz GREHTGUKCIKLNH-WCQGTBRESA-N 0 3 238.331 0.941 20 0 BCADHN CCC(=O)N1CCCN(C[C@@H](O)C(C)C)CC1 ZINC000368388762 168217699 /nfs/dbraw/zinc/21/76/99/168217699.db2.gz SNMCHGLKQYJEJS-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)C(C)C)C1 ZINC000119470927 168223628 /nfs/dbraw/zinc/22/36/28/168223628.db2.gz JUWUYFRRNMBHOB-KOLCDFICSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@@H](NCC[C@]1(O)CCOC1)c1ccnn1C ZINC000404228993 411383603 /nfs/dbraw/zinc/38/36/03/411383603.db2.gz NOARNKMGVHNVDE-PWSUYJOCSA-N 0 3 239.319 0.612 20 0 BCADHN C[C@H](NCC[C@@]1(O)CCOC1)c1cnn(C)c1 ZINC000404227218 411384015 /nfs/dbraw/zinc/38/40/15/411384015.db2.gz LZUQFXBBACNFSY-CMPLNLGQSA-N 0 3 239.319 0.612 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000659362649 411384290 /nfs/dbraw/zinc/38/42/90/411384290.db2.gz SVIFFWYWVNFCAN-IWSPIJDZSA-N 0 3 200.282 0.407 20 0 BCADHN CC(C(=O)NC1CC2(CCC2)C1)S(C)(=O)=O ZINC000652973607 411385849 /nfs/dbraw/zinc/38/58/49/411385849.db2.gz USEDHVSHMOSNEW-MRVPVSSYSA-N 0 3 245.344 0.868 20 0 BCADHN CCn1cc(CNCC[C@@]2(O)CCOC2)cn1 ZINC000404243402 411386475 /nfs/dbraw/zinc/38/64/75/411386475.db2.gz YTZXQPLPXIMHAI-GFCCVEGCSA-N 0 3 239.319 0.534 20 0 BCADHN CCC(C)(C)CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358077145 168273381 /nfs/dbraw/zinc/27/33/81/168273381.db2.gz XCOGYNWDHXGBKO-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CCC(C)(C)N[C@H](C)C(=O)Nc1cn(C)nn1 ZINC000361159215 168303440 /nfs/dbraw/zinc/30/34/40/168303440.db2.gz JIOFOJGAOOESJN-MRVPVSSYSA-N 0 3 239.323 0.920 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H]2CCCCNC2=O)CO1 ZINC000657306013 411458553 /nfs/dbraw/zinc/45/85/53/411458553.db2.gz PPWLGFZHIZIGSE-GMTAPVOTSA-N 0 3 226.320 0.812 20 0 BCADHN CC1(C)CN(C[C@@H]2CNC(=O)C2)CCO1 ZINC000659811313 411459819 /nfs/dbraw/zinc/45/98/19/411459819.db2.gz FKIJLSWTSXOSOP-VIFPVBQESA-N 0 3 212.293 0.233 20 0 BCADHN CCN1CC[C@H](N2CCC(OC)CC2)C1=O ZINC000659809749 411459896 /nfs/dbraw/zinc/45/98/96/411459896.db2.gz BGNYZDBAOUQFDQ-NSHDSACASA-N 0 3 226.320 0.718 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000659323132 411393818 /nfs/dbraw/zinc/39/38/18/411393818.db2.gz WEQFNUXZPNSVJP-NNYUYHANSA-N 0 3 238.331 0.527 20 0 BCADHN Cc1ccncc1CC(=O)NC[C@H]1CNCCO1 ZINC000659322306 411394349 /nfs/dbraw/zinc/39/43/49/411394349.db2.gz IJACGGQONDCLDR-GFCCVEGCSA-N 0 3 249.314 0.037 20 0 BCADHN O=C(NC[C@H]1CNCCO1)c1ccc(F)s1 ZINC000659322862 411394808 /nfs/dbraw/zinc/39/48/08/411394808.db2.gz UFGJMERSEQBBCN-SSDOTTSWSA-N 0 3 244.291 0.605 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N1CCN(CCN(C)C)CC1 ZINC000055197375 411396359 /nfs/dbraw/zinc/39/63/59/411396359.db2.gz KGQHKQGHSQQBSO-RYUDHWBXSA-N 0 3 239.363 0.348 20 0 BCADHN Nc1cccc(CNC(=O)C2(N)CC2)c1 ZINC000659333855 411396864 /nfs/dbraw/zinc/39/68/64/411396864.db2.gz ZUBMEIKNLQXBRL-UHFFFAOYSA-N 0 3 205.261 0.376 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000659334277 411396961 /nfs/dbraw/zinc/39/69/61/411396961.db2.gz ITDWQXYQHFKRBF-DCAQKATOSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H](CO)CNCc1cnc2n1CCC2 ZINC000657326114 411464539 /nfs/dbraw/zinc/46/45/39/411464539.db2.gz CGMWJMIYNBWVHM-SECBINFHSA-N 0 3 209.293 0.547 20 0 BCADHN CC[C@H](COCC1CC1)NC(=O)CNC ZINC000659336024 411397870 /nfs/dbraw/zinc/39/78/70/411397870.db2.gz OSNIHZLNSJOJIZ-SNVBAGLBSA-N 0 3 214.309 0.527 20 0 BCADHN O=C(CN[C@H](CO)C1CCCC1)N1CCC1 ZINC000336686614 411399112 /nfs/dbraw/zinc/39/91/12/411399112.db2.gz SWTYYLQXVAKLTR-LLVKDONJSA-N 0 3 226.320 0.359 20 0 BCADHN CC(C)O[C@@H]1CCCN(CC2(CO)COC2)C1 ZINC000404498480 411399435 /nfs/dbraw/zinc/39/94/35/411399435.db2.gz XBPOYZBXMCFPDY-GFCCVEGCSA-N 0 3 243.347 0.885 20 0 BCADHN CNCC(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000659341877 411400164 /nfs/dbraw/zinc/40/01/64/411400164.db2.gz CDEXEWVOWXKQIT-PHIMTYICSA-N 0 3 212.293 0.091 20 0 BCADHN CCn1ccc(NC(=O)[C@@H]2NCC2(C)C)n1 ZINC000659344145 411401178 /nfs/dbraw/zinc/40/11/78/411401178.db2.gz YBBFLNRFVDPMMS-VIFPVBQESA-N 0 3 222.292 0.840 20 0 BCADHN C[C@H]1CCC[C@H](CNC(=O)C2(N)CC2)O1 ZINC000659361680 411401517 /nfs/dbraw/zinc/40/15/17/411401517.db2.gz MAFWXGZYNHDSIK-DTWKUNHWSA-N 0 3 212.293 0.552 20 0 BCADHN C[C@@H]1CCC[C@H](CNC(=O)C2(N)CC2)O1 ZINC000659361682 411401723 /nfs/dbraw/zinc/40/17/23/411401723.db2.gz MAFWXGZYNHDSIK-RKDXNWHRSA-N 0 3 212.293 0.552 20 0 BCADHN C[C@]1(c2ccccc2)C[C@H]1NC(=O)CN ZINC000309459776 411402975 /nfs/dbraw/zinc/40/29/75/411402975.db2.gz OKCWWSPCWZEHAA-ZYHUDNBSSA-N 0 3 204.273 0.792 20 0 BCADHN C[C@H]1CCC[C@H](CNC(=O)CNC2CC2)O1 ZINC000659361649 411403073 /nfs/dbraw/zinc/40/30/73/411403073.db2.gz LMDTXZMVPXTLJX-GXSJLCMTSA-N 0 3 226.320 0.812 20 0 BCADHN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)CN ZINC000309459298 411403231 /nfs/dbraw/zinc/40/32/31/411403231.db2.gz OKCWWSPCWZEHAA-JQWIXIFHSA-N 0 3 204.273 0.792 20 0 BCADHN COCCNCC(=O)NCCCC1CCC1 ZINC000659362689 411404322 /nfs/dbraw/zinc/40/43/22/411404322.db2.gz UDZWQIXGNVIGBJ-UHFFFAOYSA-N 0 3 228.336 0.919 20 0 BCADHN COCCNCC(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000659374152 411405251 /nfs/dbraw/zinc/40/52/51/411405251.db2.gz HJMPCUWSIVDYPW-MNOVXSKESA-N 0 3 244.335 0.248 20 0 BCADHN CNCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659371251 411405489 /nfs/dbraw/zinc/40/54/89/411405489.db2.gz VLGCOCZKHGXSNX-LBPRGKRZSA-N 0 3 249.314 0.505 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659371593 411405587 /nfs/dbraw/zinc/40/55/87/411405587.db2.gz XFSFKEYVSHSFPC-JOYOIKCWSA-N 0 3 249.314 0.633 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000659385324 411409286 /nfs/dbraw/zinc/40/92/86/411409286.db2.gz UURIEMQDNNQMNX-RITPCOANSA-N 0 3 206.236 0.741 20 0 BCADHN Cc1cccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)n1 ZINC000659391249 411409444 /nfs/dbraw/zinc/40/94/44/411409444.db2.gz RQPXAAQICDLDCX-NXEZZACHSA-N 0 3 237.278 0.901 20 0 BCADHN CCCCOC(=O)CCN1C[C@@H](O)C[C@H]1CO ZINC000186533313 411409976 /nfs/dbraw/zinc/40/99/76/411409976.db2.gz WJSITJCAJQLJGT-QWRGUYRKSA-N 0 3 245.319 0.147 20 0 BCADHN Cc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)nn1C ZINC000659388591 411410258 /nfs/dbraw/zinc/41/02/58/411410258.db2.gz KUSNXAQFFPTIKV-RKDXNWHRSA-N 0 3 240.282 0.240 20 0 BCADHN C[C@]1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CCCOC1 ZINC000659388904 411410338 /nfs/dbraw/zinc/41/03/38/411410338.db2.gz NRGJCTXGOCDVJY-FOGDFJRCSA-N 0 3 244.310 0.701 20 0 BCADHN N[C@@H]1CN(C(=O)[C@H]2CCCCO2)CC[C@H]1F ZINC000659388462 411410608 /nfs/dbraw/zinc/41/06/08/411410608.db2.gz HZFALDBCFYWZEK-OPRDCNLKSA-N 0 3 230.283 0.453 20 0 BCADHN COCCCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659389931 411411276 /nfs/dbraw/zinc/41/12/76/411411276.db2.gz BCQHXBAWDHCPCZ-RKDXNWHRSA-N 0 3 218.272 0.311 20 0 BCADHN CC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000121568580 411413150 /nfs/dbraw/zinc/41/31/50/411413150.db2.gz OJHUBDVZVZLIBQ-LBPRGKRZSA-N 0 3 226.320 0.766 20 0 BCADHN COC[C@@H](C)CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659459313 411417258 /nfs/dbraw/zinc/41/72/58/411417258.db2.gz XIIUULDPHSSSKR-IVZWLZJFSA-N 0 3 247.314 0.350 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1ccc(N)nc1 ZINC000638303895 411462283 /nfs/dbraw/zinc/46/22/83/411462283.db2.gz KAKBPWAILUIZFN-UHFFFAOYSA-N 0 3 248.330 0.830 20 0 BCADHN C[C@H](CCO)NC(=O)CN1CC[C@H](C)C1 ZINC000654910889 411462508 /nfs/dbraw/zinc/46/25/08/411462508.db2.gz DPJHLXBBSAZACU-VHSXEESVSA-N 0 3 214.309 0.215 20 0 BCADHN O[C@@H]1C[C@H]2CN([C@@H]3C=CCCC3)CCN2C1 ZINC000405268277 411421925 /nfs/dbraw/zinc/42/19/25/411421925.db2.gz QKYMGKCPZQAFQR-FRRDWIJNSA-N 0 3 222.332 0.846 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCCOC[C@H]2C)C1 ZINC000654933357 411464583 /nfs/dbraw/zinc/46/45/83/411464583.db2.gz PECUPVSYMZSKDR-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN O[C@@H]1C[C@H]2CN(CC(F)F)CCN2C1 ZINC000405307597 411424247 /nfs/dbraw/zinc/42/42/47/411424247.db2.gz NAWLICNKSHGAIL-JGVFFNPUSA-N 0 3 206.236 0.002 20 0 BCADHN CCN1CCN(CC[C@H]2CCNC2=O)C[C@H]1C ZINC000653589661 411425469 /nfs/dbraw/zinc/42/54/69/411425469.db2.gz VRSMMDSWEIJZDM-VXGBXAGGSA-N 0 3 239.363 0.539 20 0 BCADHN CCN1CCN(CC[C@@H]2CCNC2=O)C[C@@H]1C ZINC000653589660 411425589 /nfs/dbraw/zinc/42/55/89/411425589.db2.gz VRSMMDSWEIJZDM-RYUDHWBXSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@@H]1COCCCN1CCCC(=O)N(C)C ZINC000653586843 411427523 /nfs/dbraw/zinc/42/75/23/411427523.db2.gz DXEYLFITTYEYOA-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN COC(=O)c1cn(CCN2CCCC2)nn1 ZINC000231846459 411428478 /nfs/dbraw/zinc/42/84/78/411428478.db2.gz PSXJTLSAFCPCCP-UHFFFAOYSA-N 0 3 224.264 0.161 20 0 BCADHN O=C1NCC[C@H]1CCN1CCc2cn[nH]c2C1 ZINC000653588436 411429208 /nfs/dbraw/zinc/42/92/08/411429208.db2.gz WESKSQKBELKEHN-VIFPVBQESA-N 0 3 234.303 0.294 20 0 BCADHN OCc1ccc(CNC2(CO)CC2)cc1 ZINC000126370600 411433140 /nfs/dbraw/zinc/43/31/40/411433140.db2.gz XBSIBKPMAVDYAM-UHFFFAOYSA-N 0 3 207.273 0.793 20 0 BCADHN Cc1nnc(N[C@H]2C[C@H](C)N(C3CC3)C2)o1 ZINC000336726881 411435316 /nfs/dbraw/zinc/43/53/16/411435316.db2.gz BTPMLOAJURTXCH-CBAPKCEASA-N 0 3 222.292 1.415 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)CO1 ZINC000659556664 411435489 /nfs/dbraw/zinc/43/54/89/411435489.db2.gz IWVVVKBLJIZDDI-SGIHWFKDSA-N 0 3 245.298 0.245 20 0 BCADHN CC[C@H](C)N(CC)C(=O)NC[C@H]1CNCCO1 ZINC000659555209 411435536 /nfs/dbraw/zinc/43/55/36/411435536.db2.gz PBKZHFMNTKPBQL-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@H](O)CC1 ZINC000306210301 411437123 /nfs/dbraw/zinc/43/71/23/411437123.db2.gz NYZVZSZGCDZIOW-IUCAKERBSA-N 0 3 200.282 0.097 20 0 BCADHN C[C@@H]1CCN(CC(=O)N[C@H]2CCCN(C)C2)C1 ZINC000654737317 411437170 /nfs/dbraw/zinc/43/71/70/411437170.db2.gz OAFPWVSDTGUINI-NEPJUHHUSA-N 0 3 239.363 0.539 20 0 BCADHN NCc1cccc(NC(=O)[C@H]2CCC(=O)NC2)c1 ZINC000123030145 411437296 /nfs/dbraw/zinc/43/72/96/411437296.db2.gz ZMMPUNYYQPJELT-JTQLQIEISA-N 0 3 247.298 0.610 20 0 BCADHN CCCN(CCN(C)C)C(=O)C(C)(C)CO ZINC000654733503 411437533 /nfs/dbraw/zinc/43/75/33/411437533.db2.gz XNNVPLLHCABFKL-UHFFFAOYSA-N 0 3 230.352 0.805 20 0 BCADHN CO[C@@H](C)CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659568505 411437835 /nfs/dbraw/zinc/43/78/35/411437835.db2.gz LRQXRBGROWOEKH-DJLDLDEBSA-N 0 3 233.287 0.102 20 0 BCADHN CCOCCN1CCC(c2nc(N)n[nH]2)CC1 ZINC000647932048 411440566 /nfs/dbraw/zinc/44/05/66/411440566.db2.gz OZPUVWBSEUBUGO-UHFFFAOYSA-N 0 3 239.323 0.603 20 0 BCADHN CC[C@@](C)(CO)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000654760124 411440863 /nfs/dbraw/zinc/44/08/63/411440863.db2.gz LASIXCPZBNFQSW-AAEUAGOBSA-N 0 3 242.363 0.853 20 0 BCADHN Cc1c[nH]c(CNCCCN2CCOCC2)n1 ZINC000657287029 411446627 /nfs/dbraw/zinc/44/66/27/411446627.db2.gz UQONLNDMAZWPOV-UHFFFAOYSA-N 0 3 238.335 0.530 20 0 BCADHN CCN[C@H](C)C(=O)N1C[C@H](C)OC[C@H]1C ZINC000637929978 411446858 /nfs/dbraw/zinc/44/68/58/411446858.db2.gz RSMLUPSEWBUZRS-KXUCPTDWSA-N 0 3 214.309 0.620 20 0 BCADHN CNC(=O)CCCNCc1cc2n(n1)CCC2 ZINC000657333472 411464139 /nfs/dbraw/zinc/46/41/39/411464139.db2.gz LIQOMDNNBIOART-UHFFFAOYSA-N 0 3 236.319 0.445 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2cccnc2)C1 ZINC000280184376 411451355 /nfs/dbraw/zinc/45/13/55/411451355.db2.gz GYNFFGSKJTUQKB-GFCCVEGCSA-N 0 3 219.288 0.779 20 0 BCADHN CO[C@@H](CN(CC(N)=O)C(C)C)C1CCC1 ZINC000659821611 411464211 /nfs/dbraw/zinc/46/42/11/411464211.db2.gz GPMPZOCPAMMUAZ-NSHDSACASA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@H]1C[C@@H](NCC(=O)N(C)C)CO1 ZINC000657291670 411453232 /nfs/dbraw/zinc/45/32/32/411453232.db2.gz BCJMEBURIVXGNI-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN COCc1csc(CNCCO)c1 ZINC000657292661 411453500 /nfs/dbraw/zinc/45/35/00/411453500.db2.gz BSYUDUDTUZZFCV-UHFFFAOYSA-N 0 3 201.291 0.976 20 0 BCADHN c1cn(CCN2CCC[C@@H]3COC[C@@H]32)cn1 ZINC000657295059 411454156 /nfs/dbraw/zinc/45/41/56/411454156.db2.gz VIKBFQRDSJVDSQ-NEPJUHHUSA-N 0 3 221.304 0.994 20 0 BCADHN COCCOCCN1CCC[C@@H]2COC[C@@H]21 ZINC000657294712 411454341 /nfs/dbraw/zinc/45/43/41/411454341.db2.gz INSXVLNQINWUBU-NEPJUHHUSA-N 0 3 229.320 0.760 20 0 BCADHN CC(C)[C@H]1CNCCN1C(=O)Cc1ccn[nH]1 ZINC000638490795 411468046 /nfs/dbraw/zinc/46/80/46/411468046.db2.gz YFUGFSLMTOADEJ-LLVKDONJSA-N 0 3 236.319 0.409 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](O)C2)C1 ZINC000654977540 411469915 /nfs/dbraw/zinc/46/99/15/411469915.db2.gz BRHIKIIYERMZBC-GMTAPVOTSA-N 0 3 226.320 0.167 20 0 BCADHN CC[C@@H]1C[C@H](NCCCS(C)(=O)=O)CO1 ZINC000657346465 411470264 /nfs/dbraw/zinc/47/02/64/411470264.db2.gz JFCAREKQBRFUTQ-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CCS[C@H]1C ZINC000307362441 411471608 /nfs/dbraw/zinc/47/16/08/411471608.db2.gz IWECANGGWAIKBL-XLPZGREQSA-N 0 3 202.323 0.734 20 0 BCADHN Cc1ncncc1[C@H](C)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000655791104 411471905 /nfs/dbraw/zinc/47/19/05/411471905.db2.gz GFFDVPDYCWKDAI-LPEHRKFASA-N 0 3 234.303 0.700 20 0 BCADHN Cc1ccc(CNC[C@H](O)Cn2cccn2)o1 ZINC000053037360 411474571 /nfs/dbraw/zinc/47/45/71/411474571.db2.gz KAQVWJRCORYNLA-NSHDSACASA-N 0 3 235.287 0.935 20 0 BCADHN C[C@@H]1CN(Cc2ccc(N)nc2)CC[C@@H]1O ZINC000127195135 411474726 /nfs/dbraw/zinc/47/47/26/411474726.db2.gz FQARZVGRYPDGGC-KOLCDFICSA-N 0 3 221.304 0.867 20 0 BCADHN C[C@@H](CNCc1cnc2n1CCC2)N(C)C ZINC000657348222 411474992 /nfs/dbraw/zinc/47/49/92/411474992.db2.gz OLCIJLXCTJETIL-JTQLQIEISA-N 0 3 222.336 0.869 20 0 BCADHN CCNC(=O)CN(C)[C@@H]1CCO[C@H](C)C1 ZINC000659845785 411475261 /nfs/dbraw/zinc/47/52/61/411475261.db2.gz BHUZVEFDYOJEEV-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN O=C1C[C@H](CN2CCN(CC3CC3)CC2)CN1 ZINC000659847741 411475448 /nfs/dbraw/zinc/47/54/48/411475448.db2.gz QLOXKMKIOOVJKW-LBPRGKRZSA-N 0 3 237.347 0.150 20 0 BCADHN Cc1cc(=NC(=O)[C@@H]2CC[C@@H](C3CC3)N2)[nH]n1C ZINC000407285152 411476950 /nfs/dbraw/zinc/47/69/50/411476950.db2.gz FXXAPPCZFIXEQK-QWRGUYRKSA-N 0 3 248.330 0.620 20 0 BCADHN CN(CCc1cn[nH]n1)C[C@H]1CCCCO1 ZINC000659850811 411477079 /nfs/dbraw/zinc/47/70/79/411477079.db2.gz BNRRZUCEKWIHPB-LLVKDONJSA-N 0 3 224.308 0.848 20 0 BCADHN CC[C@@H]1C[C@H](NC[C@@H]2CN(C)CCN2C)CO1 ZINC000657357408 411479537 /nfs/dbraw/zinc/47/95/37/411479537.db2.gz NRFNKXFOQMEPNF-YNEHKIRRSA-N 0 3 241.379 0.389 20 0 BCADHN CC(C)(CO)NCc1cnc2n1CCC2 ZINC000657357123 411479606 /nfs/dbraw/zinc/47/96/06/411479606.db2.gz XYPCNEISNLZVJV-UHFFFAOYSA-N 0 3 209.293 0.690 20 0 BCADHN C[C@@H](O)[C@@H](CO)NCc1c(C2CC2)cnn1C ZINC000657490343 411533182 /nfs/dbraw/zinc/53/31/82/411533182.db2.gz JSDDEZWVDSRUTR-LDYMZIIASA-N 0 3 239.319 0.129 20 0 BCADHN CC(C)[C@@H](O)CNCc1cnc2n1CCC2 ZINC000657368260 411479994 /nfs/dbraw/zinc/47/99/94/411479994.db2.gz VHVCPXHXLQTNQC-NSHDSACASA-N 0 3 223.320 0.936 20 0 BCADHN O[C@H](CNCc1cnc2n1CCC2)C1CC1 ZINC000657368564 411480492 /nfs/dbraw/zinc/48/04/92/411480492.db2.gz SVXPQMMPKDJTKQ-LLVKDONJSA-N 0 3 221.304 0.690 20 0 BCADHN C[C@H](O)CCNCc1cnn2c1CCC2 ZINC000657362271 411480615 /nfs/dbraw/zinc/48/06/15/411480615.db2.gz SCEKHBQZOFEZKT-VIFPVBQESA-N 0 3 209.293 0.690 20 0 BCADHN CO[C@@H](CN1CCCOCC1)[C@H]1CCOC1 ZINC000659861744 411481779 /nfs/dbraw/zinc/48/17/79/411481779.db2.gz ZJBQKHGPPLTZHP-RYUDHWBXSA-N 0 3 229.320 0.760 20 0 BCADHN C[C@@H]1CCN(CCN2C(=O)CN(C)C2=O)C1 ZINC000659867609 411482709 /nfs/dbraw/zinc/48/27/09/411482709.db2.gz MTKZXVYPTJTBLJ-SECBINFHSA-N 0 3 225.292 0.222 20 0 BCADHN CCC(=O)N[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1 ZINC000659864187 411483102 /nfs/dbraw/zinc/48/31/02/411483102.db2.gz KBIBBCFKKQUKNO-QJPTWQEYSA-N 0 3 240.347 0.890 20 0 BCADHN COC[C@](C)(O)CNCc1cnc2n1CCC2 ZINC000657369203 411483393 /nfs/dbraw/zinc/48/33/93/411483393.db2.gz AMNCILRMZJMERH-GFCCVEGCSA-N 0 3 239.319 0.316 20 0 BCADHN COC[C@H](CCO)NCc1cnn2c1CCC2 ZINC000657369831 411483678 /nfs/dbraw/zinc/48/36/78/411483678.db2.gz GUSSFTZSTMRASC-NSHDSACASA-N 0 3 239.319 0.316 20 0 BCADHN CCN1OC[C@@H](N2CCCN(CC)CC2)C1=O ZINC000659870486 411484940 /nfs/dbraw/zinc/48/49/40/411484940.db2.gz CCVARZBGRRHOHX-LLVKDONJSA-N 0 3 241.335 0.176 20 0 BCADHN Cc1nn(C)c(C)c1CNC[C@@H]1CCC(=O)N1 ZINC000070218240 411485655 /nfs/dbraw/zinc/48/56/55/411485655.db2.gz YMRHXBOAPSUILQ-JTQLQIEISA-N 0 3 236.319 0.405 20 0 BCADHN CNC(=O)CCN(C)CCO[C@@H]1CC1(F)F ZINC000659873938 411486361 /nfs/dbraw/zinc/48/63/61/411486361.db2.gz SXGSJKLHNDFQFI-MRVPVSSYSA-N 0 3 236.262 0.479 20 0 BCADHN C[C@H](O)CN1CCN([C@@H]2COC(C)(C)C2)CC1 ZINC000659875817 411486716 /nfs/dbraw/zinc/48/67/16/411486716.db2.gz QCQXDNXZMKVDKW-RYUDHWBXSA-N 0 3 242.363 0.552 20 0 BCADHN COC[C@@H](CN1CCCO[C@H](C)C1)OC ZINC000659875797 411486743 /nfs/dbraw/zinc/48/67/43/411486743.db2.gz ZQUFITDWAPYOHC-GHMZBOCLSA-N 0 3 217.309 0.759 20 0 BCADHN CC[C@H](C(=O)N1CCN(C)C(C)(C)C1)N(C)C ZINC000655051751 411486911 /nfs/dbraw/zinc/48/69/11/411486911.db2.gz IMTOAHXKCIZDHO-LLVKDONJSA-N 0 3 241.379 0.879 20 0 BCADHN O=C1C[C@H](CNCc2ccnn2CC2CC2)CN1 ZINC000657490637 411533538 /nfs/dbraw/zinc/53/35/38/411533538.db2.gz OYLSOAIFGJPXPB-LLVKDONJSA-N 0 3 248.330 0.519 20 0 BCADHN CC[C@H]1C[C@@H](NCC(C)(C)S(C)(=O)=O)CO1 ZINC000657386536 411488836 /nfs/dbraw/zinc/48/88/36/411488836.db2.gz HSRCMDJUCRXSIS-ZJUUUORDSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H](C(N)=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000657385613 411489057 /nfs/dbraw/zinc/48/90/57/411489057.db2.gz HKQSBLWXZNTKHL-ZMLRMANQSA-N 0 3 240.347 0.733 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H]2CCCN(C)C2=O)CO1 ZINC000657386467 411489530 /nfs/dbraw/zinc/48/95/30/411489530.db2.gz CELWNHGRKFBWJE-HBNTYKKESA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H]2CC(=O)N(C3CC3)C2)CO1 ZINC000657387855 411489878 /nfs/dbraw/zinc/48/98/78/411489878.db2.gz WITZQVSAIVOAQJ-CKYFFXLPSA-N 0 3 238.331 0.907 20 0 BCADHN CCN1CC[C@@H](N2CCC[C@@H](CCO)C2)C1=O ZINC000659881660 411490175 /nfs/dbraw/zinc/49/01/75/411490175.db2.gz NVAYPWPOCLXXQA-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN CN(C)C[C@@H]1CN([C@@H]2COC(C)(C)C2)CCO1 ZINC000659899848 411490968 /nfs/dbraw/zinc/49/09/68/411490968.db2.gz KMOYNXNUZPCNGG-NWDGAFQWSA-N 0 3 242.363 0.816 20 0 BCADHN CC[C@H]1C[C@@H](NCc2ccc(C(N)=O)nc2)CO1 ZINC000657388757 411491570 /nfs/dbraw/zinc/49/15/70/411491570.db2.gz FDKNLYHXTQDLMS-MNOVXSKESA-N 0 3 249.314 0.838 20 0 BCADHN CN(C[C@H]1CN(C)CCO1)[C@@H]1COC(C)(C)C1 ZINC000659899506 411491742 /nfs/dbraw/zinc/49/17/42/411491742.db2.gz IZSZAOLGBHLMSL-NWDGAFQWSA-N 0 3 242.363 0.816 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000655090331 411492899 /nfs/dbraw/zinc/49/28/99/411492899.db2.gz FIRDERGSPBHLJV-QJPTWQEYSA-N 0 3 240.347 0.698 20 0 BCADHN CCN1CCC(N(C)C(=O)COC)CC1 ZINC000045906975 169952083 /nfs/dbraw/zinc/95/20/83/169952083.db2.gz ZNOCGPNHNZJRMM-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN C[C@@H](CC(N)=O)NCc1c(C2CC2)cnn1C ZINC000657402262 411495971 /nfs/dbraw/zinc/49/59/71/411495971.db2.gz OUUFUDXPZVXYOV-QMMMGPOBSA-N 0 3 236.319 0.651 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccnn1CC1CC1 ZINC000657402001 411496185 /nfs/dbraw/zinc/49/61/85/411496185.db2.gz JKHDYIPKUYJGAL-VIFPVBQESA-N 0 3 236.319 0.647 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCO[C@H]3C[C@H]32)C1 ZINC000655104652 411496379 /nfs/dbraw/zinc/49/63/79/411496379.db2.gz KUHULNUFVLUYSG-MXWKQRLJSA-N 0 3 224.304 0.328 20 0 BCADHN OCCCN(CCO)CCO[C@@H]1CC1(F)F ZINC000659915074 411496457 /nfs/dbraw/zinc/49/64/57/411496457.db2.gz PHARVTDWINOALN-SECBINFHSA-N 0 3 239.262 0.087 20 0 BCADHN CC(C)(CO)CNCc1cnn2c1CCC2 ZINC000657411295 411498982 /nfs/dbraw/zinc/49/89/82/411498982.db2.gz PDFPBKUBQSVBQG-UHFFFAOYSA-N 0 3 223.320 0.937 20 0 BCADHN Cc1ncc(CN[C@@H](CO)CC2CC2)n1C ZINC000657415726 411499618 /nfs/dbraw/zinc/49/96/18/411499618.db2.gz GTUMCDIFIFZMJE-LLVKDONJSA-N 0 3 223.320 0.979 20 0 BCADHN c1nc2n(c1CN[C@H]1CCOC1)CCC2 ZINC000657416962 411501093 /nfs/dbraw/zinc/50/10/93/411501093.db2.gz YJTPXXGELVDEQE-VIFPVBQESA-N 0 3 207.277 0.708 20 0 BCADHN O[C@]1(CNCc2cnn3c2CCC3)CCOC1 ZINC000657417297 411501177 /nfs/dbraw/zinc/50/11/77/411501177.db2.gz LTGIYDOKPJIMPD-LBPRGKRZSA-N 0 3 237.303 0.070 20 0 BCADHN Cn1nccc1CN[C@H]1CCc2c(nnn2C)C1 ZINC000655841475 411534306 /nfs/dbraw/zinc/53/43/06/411534306.db2.gz DKOYNKJYDROSAO-VIFPVBQESA-N 0 3 246.318 0.196 20 0 BCADHN CCCn1nccc1CNCCc1nnnn1C ZINC000657424837 411504556 /nfs/dbraw/zinc/50/45/56/411504556.db2.gz HZPOHAUKNRTEIB-UHFFFAOYSA-N 0 3 249.322 0.149 20 0 BCADHN Cc1c[nH]c(CNCCCN2CCC2)n1 ZINC000657424441 411504870 /nfs/dbraw/zinc/50/48/70/411504870.db2.gz WDESTUQNXPRWFZ-UHFFFAOYSA-N 0 3 208.309 0.904 20 0 BCADHN Cn1nccc1CN[C@@H]1CCc2c(nnn2C)C1 ZINC000655841474 411534456 /nfs/dbraw/zinc/53/44/56/411534456.db2.gz DKOYNKJYDROSAO-SECBINFHSA-N 0 3 246.318 0.196 20 0 BCADHN CCN1CC[C@@H](N2CC[C@@H](COC)C2)C1=O ZINC000659945747 411507046 /nfs/dbraw/zinc/50/70/46/411507046.db2.gz BXHFBYSWCFCXFV-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN Cn1nnc2c1CC[C@@H](NCc1cn[nH]c1)C2 ZINC000655841274 411534626 /nfs/dbraw/zinc/53/46/26/411534626.db2.gz AGSQOKLJBNEKHH-SECBINFHSA-N 0 3 232.291 0.185 20 0 BCADHN OCCOCCCNCc1cnc2n1CCC2 ZINC000657430228 411508230 /nfs/dbraw/zinc/50/82/30/411508230.db2.gz OUQABEJOQQQYQC-UHFFFAOYSA-N 0 3 239.319 0.318 20 0 BCADHN CC[C@H]1C[C@@H](N[C@@H](C)C(=O)N(C)C)CO1 ZINC000657448755 411510684 /nfs/dbraw/zinc/51/06/84/411510684.db2.gz XTGTXXDOOAXRBW-AEJSXWLSSA-N 0 3 214.309 0.620 20 0 BCADHN COC[C@H](CN(C)CC[C@H](C)O)OC ZINC000659955820 411510749 /nfs/dbraw/zinc/51/07/49/411510749.db2.gz NUXJKYYZMANORH-UWVGGRQHSA-N 0 3 205.298 0.351 20 0 BCADHN COC[C@@](C)(CO)NCc1ccc(CO)cc1 ZINC000638873119 411511831 /nfs/dbraw/zinc/51/18/31/411511831.db2.gz CYYNVTJTNFUKKG-CYBMUJFWSA-N 0 3 239.315 0.666 20 0 BCADHN [NH3+][C@H]1C[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000306994793 411512012 /nfs/dbraw/zinc/51/20/12/411512012.db2.gz OKKJBHBWDPUMHJ-KNVOCYPGSA-N 0 3 232.330 0.516 20 0 BCADHN Cc1ncc(CNC[C@@H]2CC[C@H](O)C2)n1C ZINC000657445813 411512957 /nfs/dbraw/zinc/51/29/57/411512957.db2.gz LBYHDNOHAWNZDB-PWSUYJOCSA-N 0 3 223.320 0.979 20 0 BCADHN O=C1CCC[C@@H](CNCc2cnn3c2CCC3)N1 ZINC000657452343 411515220 /nfs/dbraw/zinc/51/52/20/411515220.db2.gz KDEIPMWGVZYTSN-NSHDSACASA-N 0 3 248.330 0.588 20 0 BCADHN COCc1csc(CN[C@H](CO)[C@@H](C)O)c1 ZINC000657492400 411534868 /nfs/dbraw/zinc/53/48/68/411534868.db2.gz VPSOTIZONKQWQD-LDYMZIIASA-N 0 3 245.344 0.726 20 0 BCADHN CO[C@](C)(CO)CN[C@H](C)c1cncnc1C ZINC000655794948 411515641 /nfs/dbraw/zinc/51/56/41/411515641.db2.gz AJAOLURHAOMQBJ-SKDRFNHKSA-N 0 3 239.319 0.833 20 0 BCADHN Cc1c[nH]c(CNC[C@H](CO)[C@@H]2CCOC2)n1 ZINC000657455837 411516469 /nfs/dbraw/zinc/51/64/69/411516469.db2.gz UIUDRLUWFXKGGY-GHMZBOCLSA-N 0 3 239.319 0.453 20 0 BCADHN CC[C@H]1C[C@H](NCC2(S(C)(=O)=O)CC2)CO1 ZINC000657456667 411516896 /nfs/dbraw/zinc/51/68/96/411516896.db2.gz JEJWZFLDOJQRMG-UWVGGRQHSA-N 0 3 247.360 0.721 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@H](C)C(=O)NCCF)CO1 ZINC000657459080 411517147 /nfs/dbraw/zinc/51/71/47/411517147.db2.gz PCYPQVFJBSGKMG-OPRDCNLKSA-N 0 3 232.299 0.618 20 0 BCADHN CC[C@@H]1C[C@H](N[C@@H](C)C(=O)NCCF)CO1 ZINC000657459079 411517554 /nfs/dbraw/zinc/51/75/54/411517554.db2.gz PCYPQVFJBSGKMG-LPEHRKFASA-N 0 3 232.299 0.618 20 0 BCADHN CO[C@](C)(CO)CN[C@@H]1CO[C@H](C)C1 ZINC000655802869 411518439 /nfs/dbraw/zinc/51/84/39/411518439.db2.gz ZDHGJGKEMMKPDZ-UTLUCORTSA-N 0 3 203.282 0.151 20 0 BCADHN CC(=O)N1CC(NC[C@H]2CCCOC2)C1 ZINC000655802175 411518889 /nfs/dbraw/zinc/51/88/89/411518889.db2.gz DLRGMICPSPDNKT-SNVBAGLBSA-N 0 3 212.293 0.233 20 0 BCADHN C[C@@H](CN(C)C)NCc1cc2n(n1)CCC2 ZINC000657465405 411519899 /nfs/dbraw/zinc/51/98/99/411519899.db2.gz NYIFIWZTCQOQRH-JTQLQIEISA-N 0 3 222.336 0.869 20 0 BCADHN CCN1CC[C@H](N2CC[C@@](C)(O)C2)C1=O ZINC000659985679 411519965 /nfs/dbraw/zinc/51/99/65/411519965.db2.gz QALDIWXFFWXADT-GXSJLCMTSA-N 0 3 212.293 0.064 20 0 BCADHN C=Cn1cc(CNC[C@](C)(CO)OC)cn1 ZINC000655808260 411521216 /nfs/dbraw/zinc/52/12/16/411521216.db2.gz WBPVANPYXVKEOT-LLVKDONJSA-N 0 3 225.292 0.471 20 0 BCADHN CO[C@H]1CCN(CCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000659987068 411521412 /nfs/dbraw/zinc/52/14/12/411521412.db2.gz VCJOLVVALIUBDR-AVGNSLFASA-N 0 3 242.363 0.816 20 0 BCADHN CCN1CC[C@@H](N(C)C[C@@H]2CCOC2)C1=O ZINC000659988473 411521659 /nfs/dbraw/zinc/52/16/59/411521659.db2.gz XQEDHGCANVISOC-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN CCn1cncc1CNC[C@@](C)(CO)OC ZINC000655807268 411521874 /nfs/dbraw/zinc/52/18/74/411521874.db2.gz JJAHLWXUTSJHLS-NSHDSACASA-N 0 3 227.308 0.390 20 0 BCADHN O=C1NC[C@H]2CN(C[C@@H]3C[C@H]4C[C@H]4C3)CCN12 ZINC000659994814 411523107 /nfs/dbraw/zinc/52/31/07/411523107.db2.gz YPNKMWCAYFWMMC-USZNOCQGSA-N 0 3 235.331 0.742 20 0 BCADHN OCC[C@@H]1CSCCN1CCc1cn[nH]n1 ZINC000660002750 411525985 /nfs/dbraw/zinc/52/59/85/411525985.db2.gz KYMMRRVRDPHWSU-SNVBAGLBSA-N 0 3 242.348 0.147 20 0 BCADHN OCC[C@@H]1CSCCN1CCc1c[nH]nn1 ZINC000660002750 411525987 /nfs/dbraw/zinc/52/59/87/411525987.db2.gz KYMMRRVRDPHWSU-SNVBAGLBSA-N 0 3 242.348 0.147 20 0 BCADHN 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CCOCCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368219386 170361101 /nfs/dbraw/zinc/36/11/01/170361101.db2.gz CDMJZBSEVLWEQZ-IUCAKERBSA-N 0 3 218.272 0.229 20 0 BCADHN CC[C@@H](O)CNCc1c(C)nnn1CC ZINC000657643944 411568345 /nfs/dbraw/zinc/56/83/45/411568345.db2.gz JXIDBSDFFYCAEN-SECBINFHSA-N 0 3 212.297 0.467 20 0 BCADHN CCOCCCCNC(=O)[C@@H](N)C(C)C ZINC000236836094 170368643 /nfs/dbraw/zinc/36/86/43/170368643.db2.gz OOHYXTALQMIACA-JTQLQIEISA-N 0 3 216.325 0.903 20 0 BCADHN CCOCCCN(CCO)CCOC ZINC000121790128 170371936 /nfs/dbraw/zinc/37/19/36/170371936.db2.gz GNSOXWDBYOWOCN-UHFFFAOYSA-N 0 3 205.298 0.354 20 0 BCADHN CCOCCCN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000337356616 170373700 /nfs/dbraw/zinc/37/37/00/170373700.db2.gz CMCADIMYKZGESI-STQMWFEESA-N 0 3 244.379 0.800 20 0 BCADHN CCOCCCNC(=O)Cc1nc[nH]c1C ZINC000278586066 170376779 /nfs/dbraw/zinc/37/67/79/170376779.db2.gz JZLTUROKMVKQGG-UHFFFAOYSA-N 0 3 225.292 0.803 20 0 BCADHN C[C@@H]1CN(CCc2cn[nH]n2)CC[C@H]1O ZINC000660331617 411569993 /nfs/dbraw/zinc/56/99/93/411569993.db2.gz VGWPYANMNHCOES-PSASIEDQSA-N 0 3 210.281 0.050 20 0 BCADHN OCC1(N(CCn2cncn2)C2CC2)CCC1 ZINC000660770915 411624591 /nfs/dbraw/zinc/62/45/91/411624591.db2.gz KURHWMLLHJYGKC-UHFFFAOYSA-N 0 3 236.319 0.658 20 0 BCADHN CC1(C)C[C@@H](N2CCC[C@@](O)(CO)C2)CO1 ZINC000660776182 411625297 /nfs/dbraw/zinc/62/52/97/411625297.db2.gz ICKWIUMCNTVGDH-PWSUYJOCSA-N 0 3 229.320 0.373 20 0 BCADHN CO[C@H](CN[C@@H]1COC[C@@H]1OC)C1CCC1 ZINC000660780591 411628963 /nfs/dbraw/zinc/62/89/63/411628963.db2.gz SHRUWRODEGPFQL-UTUOFQBUSA-N 0 3 229.320 0.805 20 0 BCADHN CCN1CCC(Nc2ccc3nncn3n2)CC1 ZINC000352970411 411630479 /nfs/dbraw/zinc/63/04/79/411630479.db2.gz UWYLTJXKUUEWFN-UHFFFAOYSA-N 0 3 246.318 1.021 20 0 BCADHN Cc1cc(NC(=O)[C@H]2NCC2(C)C)n[nH]1 ZINC000645560577 411631736 /nfs/dbraw/zinc/63/17/36/411631736.db2.gz ZVLIRKQLXSNJCU-MRVPVSSYSA-N 0 3 208.265 0.655 20 0 BCADHN CCN1CCCN(CC(=O)N2CCC2)[C@H](C)C1 ZINC000660793893 411634899 /nfs/dbraw/zinc/63/48/99/411634899.db2.gz ZAYVHFGYWVEZSY-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN CCN1CCCN(CC(=O)NC(C)C)[C@H](C)C1 ZINC000660797413 411636201 /nfs/dbraw/zinc/63/62/01/411636201.db2.gz XMVZFIBZFHBZFG-GFCCVEGCSA-N 0 3 241.379 0.927 20 0 BCADHN O=C1C[C@@H](CN2CCO[C@H](C3CCC3)C2)CN1 ZINC000660799225 411636423 /nfs/dbraw/zinc/63/64/23/411636423.db2.gz SRUXKCHLURJTQU-PWSUYJOCSA-N 0 3 238.331 0.623 20 0 BCADHN CCOCCO[C@@H]1CCN(CCOCCO)C1 ZINC000359597042 170421022 /nfs/dbraw/zinc/42/10/22/170421022.db2.gz IIWWPTQGRUVYKT-GFCCVEGCSA-N 0 3 247.335 0.123 20 0 BCADHN COC[C@H](O)CN[C@@H](c1ccccc1)[C@H](C)O ZINC000663376770 411640477 /nfs/dbraw/zinc/64/04/77/411640477.db2.gz VDAUQHKGSBIUMC-CYZMBNFOSA-N 0 3 239.315 0.705 20 0 BCADHN COC[C@@H](O)CN[C@@H](c1ccccc1)[C@@H](C)O ZINC000663376772 411641074 /nfs/dbraw/zinc/64/10/74/411641074.db2.gz VDAUQHKGSBIUMC-KGYLQXTDSA-N 0 3 239.315 0.705 20 0 BCADHN CCn1nccc1CNC[C@@H](O)Cn1cccn1 ZINC000663377815 411641946 /nfs/dbraw/zinc/64/19/46/411641946.db2.gz VIAMHQRXOCCSOF-GFCCVEGCSA-N 0 3 249.318 0.250 20 0 BCADHN CCN1CC[C@H](N2CC[C@@H](C)[C@@H](OC)C2)C1=O ZINC000660377237 411576101 /nfs/dbraw/zinc/57/61/01/411576101.db2.gz WZKZTOPNDPULKY-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1CCC[C@@H](CNCc2cnnn2C)O1 ZINC000657663342 411576376 /nfs/dbraw/zinc/57/63/76/411576376.db2.gz FOXXKCUTSUDEFL-KOLCDFICSA-N 0 3 224.308 0.862 20 0 BCADHN Cn1nncc1CNC[C@]1(C)CC1(F)F ZINC000657664450 411577428 /nfs/dbraw/zinc/57/74/28/411577428.db2.gz KGQPMPIUBFZONM-QMMMGPOBSA-N 0 3 216.235 0.950 20 0 BCADHN CCN1CC[C@H](N[C@@]2(C)CCO[C@@H]2C)C1=O ZINC000660415354 411582047 /nfs/dbraw/zinc/58/20/47/411582047.db2.gz ZMVQLCULSDEQLK-SCVCMEIPSA-N 0 3 226.320 0.764 20 0 BCADHN CCN1CC[C@H](N[C@@]2(C)CCO[C@H]2C)C1=O ZINC000660415352 411582196 /nfs/dbraw/zinc/58/21/96/411582196.db2.gz ZMVQLCULSDEQLK-NHCYSSNCSA-N 0 3 226.320 0.764 20 0 BCADHN Cn1ccc(CNC[C@H](CO)CC2CC2)n1 ZINC000657701488 411582440 /nfs/dbraw/zinc/58/24/40/411582440.db2.gz ZBWCYVPDUDKOOL-LLVKDONJSA-N 0 3 223.320 0.918 20 0 BCADHN O[C@H]1C[C@@H](NCc2cn[nH]c2)C12CCC2 ZINC000657702749 411583421 /nfs/dbraw/zinc/58/34/21/411583421.db2.gz IXKCGNLXLIWMPU-ZJUUUORDSA-N 0 3 207.277 0.803 20 0 BCADHN Cn1nccc1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000657704824 411584115 /nfs/dbraw/zinc/58/41/15/411584115.db2.gz VNMXVBGPKHGDMI-MNOVXSKESA-N 0 3 221.304 0.813 20 0 BCADHN COCCN(CCc1cn[nH]n1)[C@H]1CCOC1 ZINC000660433185 411584614 /nfs/dbraw/zinc/58/46/14/411584614.db2.gz VYKXBDDZLXVNON-NSHDSACASA-N 0 3 240.307 0.085 20 0 BCADHN COCCN(CCc1c[nH]nn1)[C@H]1CCOC1 ZINC000660433185 411584616 /nfs/dbraw/zinc/58/46/16/411584616.db2.gz VYKXBDDZLXVNON-NSHDSACASA-N 0 3 240.307 0.085 20 0 BCADHN CCN1CC[C@H](N2C[C@@H](O)C(C)(C)C2)C1=O ZINC000660445364 411585261 /nfs/dbraw/zinc/58/52/61/411585261.db2.gz YDWYIYFTRPJUFN-VHSXEESVSA-N 0 3 226.320 0.310 20 0 BCADHN O=C1CC[C@@H](CNCc2cnn3c2CCC3)N1 ZINC000657709959 411585898 /nfs/dbraw/zinc/58/58/98/411585898.db2.gz KVZUDCWQMVTWGL-JTQLQIEISA-N 0 3 234.303 0.198 20 0 BCADHN COC[C@H](CN(CCO)[C@H]1CCO[C@H]1C)OC ZINC000660459329 411587911 /nfs/dbraw/zinc/58/79/11/411587911.db2.gz RYQJKGHWLVQYOB-SRVKXCTJSA-N 0 3 247.335 0.120 20 0 BCADHN Cn1cc(CNCC2=CCCC2)c(=O)n(C)c1=O ZINC000657748407 411592084 /nfs/dbraw/zinc/59/20/84/411592084.db2.gz IJLIXQWHBQVWQL-UHFFFAOYSA-N 0 3 249.314 0.284 20 0 BCADHN CCN1CCN(Cc2cn(C)cn2)[C@H](C)C1 ZINC000660534573 411596487 /nfs/dbraw/zinc/59/64/87/411596487.db2.gz GMSOOPIWURPCSG-LLVKDONJSA-N 0 3 222.336 0.946 20 0 BCADHN CCN1CC[C@@H](N(CCO)CC2CC2)C1=O ZINC000660535486 411596624 /nfs/dbraw/zinc/59/66/24/411596624.db2.gz LKEXNYAFXJZVKP-LLVKDONJSA-N 0 3 226.320 0.312 20 0 BCADHN CCOC[C@H](O)CNCc1cccn1C ZINC000336709906 170453441 /nfs/dbraw/zinc/45/34/41/170453441.db2.gz SYEZISXVKWUTBU-LLVKDONJSA-N 0 3 212.293 0.512 20 0 BCADHN CCN1CCN(CCc2cn[nH]n2)[C@H](C)C1 ZINC000660537600 411597510 /nfs/dbraw/zinc/59/75/10/411597510.db2.gz LQMWLUKUVCEAKJ-SNVBAGLBSA-N 0 3 223.324 0.373 20 0 BCADHN C[C@@H](O)CN(CCO)Cc1ccc2c[nH]nc2c1 ZINC000660564021 411601192 /nfs/dbraw/zinc/60/11/92/411601192.db2.gz RIGUFPFEPVADCD-SNVBAGLBSA-N 0 3 249.314 0.738 20 0 BCADHN NC(=O)c1csc(CN[C@H]2C[C@H](O)C2)c1 ZINC000657809752 411602524 /nfs/dbraw/zinc/60/25/24/411602524.db2.gz PUBSXPKSVKAQSS-ZKCHVHJHSA-N 0 3 226.301 0.460 20 0 BCADHN C[C@@H](O)CN(C)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000660597439 411604988 /nfs/dbraw/zinc/60/49/88/411604988.db2.gz PJDQCVQJAQNUAN-WOPDTQHZSA-N 0 3 230.352 0.408 20 0 BCADHN COC[C@@H](CN1CC[C@@H](n2cccn2)C1)OC ZINC000660596725 411605105 /nfs/dbraw/zinc/60/51/05/411605105.db2.gz MTFVUZNQZHVYQU-VXGBXAGGSA-N 0 3 239.319 0.791 20 0 BCADHN O=C(NCCN[C@@H]1CCCn2nccc21)C1CC1 ZINC000657821450 411607090 /nfs/dbraw/zinc/60/70/90/411607090.db2.gz PVONHUJYWGMIKX-LLVKDONJSA-N 0 3 248.330 0.834 20 0 BCADHN Cn1cnc(CN2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000660611421 411607483 /nfs/dbraw/zinc/60/74/83/411607483.db2.gz QSROAKVISDWEME-ZYHUDNBSSA-N 0 3 220.320 0.556 20 0 BCADHN Cn1cnc(CN2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000660611415 411607517 /nfs/dbraw/zinc/60/75/17/411607517.db2.gz QSROAKVISDWEME-CMPLNLGQSA-N 0 3 220.320 0.556 20 0 BCADHN COC[C@@H](CN(C)[C@H]1CCC(=O)N(C)C1)OC ZINC000660623682 411608629 /nfs/dbraw/zinc/60/86/29/411608629.db2.gz PZVLLBBXKWJYPW-WDEREUQCSA-N 0 3 244.335 0.200 20 0 BCADHN c1cc2n(n1)CCC[C@H]2NC[C@H]1COCCO1 ZINC000657845805 411611127 /nfs/dbraw/zinc/61/11/27/411611127.db2.gz XWCLCHBAKYCCSM-WDEREUQCSA-N 0 3 237.303 0.723 20 0 BCADHN C[C@@H](CO)CN[C@@H]1CCCn2nccc21 ZINC000657847985 411611413 /nfs/dbraw/zinc/61/14/13/411611413.db2.gz ZDXZIBQTJHXOKP-NXEZZACHSA-N 0 3 209.293 0.936 20 0 BCADHN CO[C@@H](CN1CCOC[C@H](O)C1)C1CCCC1 ZINC000660669783 411616489 /nfs/dbraw/zinc/61/64/89/411616489.db2.gz QQIKFFPEPMJXCS-OLZOCXBDSA-N 0 3 243.347 0.885 20 0 BCADHN CN(CCc1cn[nH]n1)Cc1ccccn1 ZINC000660676867 411616819 /nfs/dbraw/zinc/61/68/19/411616819.db2.gz CEIIFHYKMXHCPT-UHFFFAOYSA-N 0 3 217.276 0.874 20 0 BCADHN CN(CCc1c[nH]nn1)Cc1ccccn1 ZINC000660676867 411616820 /nfs/dbraw/zinc/61/68/20/411616820.db2.gz CEIIFHYKMXHCPT-UHFFFAOYSA-N 0 3 217.276 0.874 20 0 BCADHN CO[C@@H]1CCN(CCOCCO)CC1(C)C ZINC000660721924 411618915 /nfs/dbraw/zinc/61/89/15/411618915.db2.gz TYLJJOKTGKNJPN-LLVKDONJSA-N 0 3 231.336 0.742 20 0 BCADHN NC(=O)C[C@H]1COCCN1CC1CC=CC1 ZINC000660762744 411620575 /nfs/dbraw/zinc/62/05/75/411620575.db2.gz OYPRVSLDIAHAAG-NSHDSACASA-N 0 3 224.304 0.529 20 0 BCADHN O=C1CO[C@@H]2CCN(CCC3CCC3)C[C@H]2N1 ZINC000660767155 411622630 /nfs/dbraw/zinc/62/26/30/411622630.db2.gz PFBPTSZYLLVALS-VXGBXAGGSA-N 0 3 238.331 0.766 20 0 BCADHN CCOCCNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000663570201 411704295 /nfs/dbraw/zinc/70/42/95/411704295.db2.gz PPPHAOAZVJVLBB-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN c1cnc(NC[C@H]2CSCCN2)cn1 ZINC000641686788 411707263 /nfs/dbraw/zinc/70/72/63/411707263.db2.gz ADWVOKGLMNKJIC-QMMMGPOBSA-N 0 3 210.306 0.594 20 0 BCADHN CC[C@@H](C)N(CC)CC(=O)N1CCNC1=O ZINC000661105125 411709335 /nfs/dbraw/zinc/70/93/35/411709335.db2.gz FPBDNGZOVUAZCO-SECBINFHSA-N 0 3 227.308 0.659 20 0 BCADHN C[C@H](CNc1ncnc2c1nnn2C)N(C)C ZINC000663399189 411647813 /nfs/dbraw/zinc/64/78/13/411647813.db2.gz UFOXEMZEBCHYBG-SSDOTTSWSA-N 0 3 235.295 0.120 20 0 BCADHN OCCOCCN1CC[C@@H](O)CC12CCC2 ZINC000660836041 411651137 /nfs/dbraw/zinc/65/11/37/411651137.db2.gz OZQGAHSTFJQKNQ-LLVKDONJSA-N 0 3 229.320 0.375 20 0 BCADHN C[C@H]1C[C@H](N[C@H]2CCNC2=O)CN1C1CC1 ZINC000663458134 411661567 /nfs/dbraw/zinc/66/15/67/411661567.db2.gz UCHFLIPXLXIMIM-QXEWZRGKSA-N 0 3 223.320 0.090 20 0 BCADHN CC(C)O[C@@H]1CCN(CCc2cn[nH]n2)C1 ZINC000660897987 411663890 /nfs/dbraw/zinc/66/38/90/411663890.db2.gz SHZXHDRZUFKLQV-LLVKDONJSA-N 0 3 224.308 0.847 20 0 BCADHN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCOC2(CNC2)C1 ZINC000663487030 411669515 /nfs/dbraw/zinc/66/95/15/411669515.db2.gz CEMMBCGDRVMNJT-URLYPYJESA-N 0 3 236.315 0.233 20 0 BCADHN CC(C)CC(=O)N1CCOC2(CNC2)C1 ZINC000663483276 411669620 /nfs/dbraw/zinc/66/96/20/411669620.db2.gz KUUQYZDSOXHWED-UHFFFAOYSA-N 0 3 212.293 0.233 20 0 BCADHN CC[C@@H]1CN(C[C@H]2CNC(=O)C2)[C@H](C)CO1 ZINC000660915323 411670659 /nfs/dbraw/zinc/67/06/59/411670659.db2.gz ZIAFWEYVKHJGFI-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN O=C(N1CCOC2(CNC2)C1)[C@]12C[C@H]1CCC2 ZINC000663492408 411670957 /nfs/dbraw/zinc/67/09/57/411670957.db2.gz SORYFUWSNUVDBG-ZWNOBZJWSA-N 0 3 236.315 0.377 20 0 BCADHN CCOc1nccnc1NCCN(C)C1CC1 ZINC000577886978 411717917 /nfs/dbraw/zinc/71/79/17/411717917.db2.gz QZPIBGCUGKVCJJ-UHFFFAOYSA-N 0 3 236.319 1.381 20 0 BCADHN C[C@H](O)CN(C)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000314388098 411683841 /nfs/dbraw/zinc/68/38/41/411683841.db2.gz PJDQCVQJAQNUAN-SRVKXCTJSA-N 0 3 230.352 0.408 20 0 BCADHN Cc1ccc([O-])c(CNCC23CC(C2)C[NH2+]3)n1 ZINC000663501993 411686439 /nfs/dbraw/zinc/68/64/39/411686439.db2.gz NBBBZHQKAGQOPK-UHFFFAOYSA-N 0 3 233.315 0.937 20 0 BCADHN Cc1c[nH]nc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000663505738 411686921 /nfs/dbraw/zinc/68/69/21/411686921.db2.gz PXEONWCXLWQJBC-RKDXNWHRSA-N 0 3 212.272 0.589 20 0 BCADHN Cn1ncc(Cl)c1CN1CC[C@@H](F)[C@H](N)C1 ZINC000663505251 411688350 /nfs/dbraw/zinc/68/83/50/411688350.db2.gz KJXFUCGCCMAYCB-RKDXNWHRSA-N 0 3 246.717 0.945 20 0 BCADHN N[C@@H]1CN(CC[C@H]2CCOC2)CC[C@H]1F ZINC000663506461 411688613 /nfs/dbraw/zinc/68/86/13/411688613.db2.gz XKDSCVRTXNLXFZ-HBNTYKKESA-N 0 3 216.300 0.784 20 0 BCADHN C([C@@H]1CCSC1)N1CCOC2(CNC2)C1 ZINC000663510569 411693217 /nfs/dbraw/zinc/69/32/17/411693217.db2.gz PXTVWRKBDTURMT-JTQLQIEISA-N 0 3 228.361 0.414 20 0 BCADHN Cc1ccncc1CN1CCOC2(CNC2)C1 ZINC000663511973 411693430 /nfs/dbraw/zinc/69/34/30/411693430.db2.gz YDUTVOLRMVQRRP-UHFFFAOYSA-N 0 3 233.315 0.564 20 0 BCADHN CC(C)NC(=O)CCN(C)Cc1cnc[nH]1 ZINC000661087309 411700166 /nfs/dbraw/zinc/70/01/66/411700166.db2.gz QLUYVFIYAOAOGU-UHFFFAOYSA-N 0 3 224.308 0.756 20 0 BCADHN CN(C)[C@@H]1CCN(c2nc3ccccn3n2)C1 ZINC000663539054 411700617 /nfs/dbraw/zinc/70/06/17/411700617.db2.gz NLYKMLFMOVYILX-SNVBAGLBSA-N 0 3 231.303 0.870 20 0 BCADHN CN(CCCN1CCCC1=O)Cc1cnc[nH]1 ZINC000661087836 411700999 /nfs/dbraw/zinc/70/09/99/411700999.db2.gz YNMFYXBBLJRVGG-UHFFFAOYSA-N 0 3 236.319 0.854 20 0 BCADHN C[C@@H]1CN(CCN2CCC(O)CC2)C[C@@H](C)O1 ZINC000314539561 411731510 /nfs/dbraw/zinc/73/15/10/411731510.db2.gz IJAKTZWMLGMXSV-VXGBXAGGSA-N 0 3 242.363 0.552 20 0 BCADHN O=C(CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1)NC1CC1 ZINC000661200225 411732971 /nfs/dbraw/zinc/73/29/71/411732971.db2.gz NXHSXFNLXMHWIA-JFGNBEQYSA-N 0 3 238.331 0.358 20 0 BCADHN Cc1cnc(NCCN2CC[C@H](O)C2)nc1C ZINC000624774956 411735316 /nfs/dbraw/zinc/73/53/16/411735316.db2.gz UMLJVWKHSMCMIH-NSHDSACASA-N 0 3 236.319 0.572 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(NC)nc1 ZINC000449561693 411746769 /nfs/dbraw/zinc/74/67/69/411746769.db2.gz XJPHCHNKTWDVAC-GZMMTYOYSA-N 0 3 236.319 1.435 20 0 BCADHN CC[C@H](N)C(=O)Nc1cc(C)n(C(C)C)n1 ZINC000424054944 411750182 /nfs/dbraw/zinc/75/01/82/411750182.db2.gz RSKOXABLNKAYHC-VIFPVBQESA-N 0 3 224.308 1.448 20 0 BCADHN CCc1[nH]nc(NC(=O)[C@@H](N)CC(F)F)c1C ZINC000583869971 411754724 /nfs/dbraw/zinc/75/47/24/411754724.db2.gz QQESNBCMJJJXOJ-LURJTMIESA-N 0 3 246.261 1.202 20 0 BCADHN CCc1[nH]nc(NC(=O)[C@@H](C)NC)c1C ZINC000574100630 411756265 /nfs/dbraw/zinc/75/62/65/411756265.db2.gz VKKCFYLFQJZHKG-SSDOTTSWSA-N 0 3 210.281 0.827 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@H](CO)C1CC1 ZINC000309904336 170611994 /nfs/dbraw/zinc/61/19/94/170611994.db2.gz JKZGVPDHBWRLCG-GXSJLCMTSA-N 0 3 249.376 0.418 20 0 BCADHN CCc1cc(NC(=O)C2(N)CC3(CCC3)C2)n[nH]1 ZINC000639013880 411762311 /nfs/dbraw/zinc/76/23/11/411762311.db2.gz RBPRGTTZTSLECW-UHFFFAOYSA-N 0 3 248.330 1.572 20 0 BCADHN C[C@H]1CC[C@@H](CN=c2ncnc3[nH][n-]cc2-3)[N@@H+]1C ZINC000663859458 411763903 /nfs/dbraw/zinc/76/39/03/411763903.db2.gz WJWYYFCRZPJXMQ-IUCAKERBSA-N 0 3 246.318 0.621 20 0 BCADHN C[C@H]1CC[C@@H](CN=c2ncnc3[nH][n-]cc2-3)[N@H+]1C ZINC000663859458 411763905 /nfs/dbraw/zinc/76/39/05/411763905.db2.gz WJWYYFCRZPJXMQ-IUCAKERBSA-N 0 3 246.318 0.621 20 0 BCADHN CCc1cc(NC(=O)[C@@H]2NCC2(C)C)n[nH]1 ZINC000645767746 411765885 /nfs/dbraw/zinc/76/58/85/411765885.db2.gz JBVOXCKATNNMDD-VIFPVBQESA-N 0 3 222.292 0.909 20 0 BCADHN OC[C@@H](CN1CCCCC1)Nc1cnccn1 ZINC000663900070 411769843 /nfs/dbraw/zinc/76/98/43/411769843.db2.gz NOBZYECKQJRTQA-LLVKDONJSA-N 0 3 236.319 0.735 20 0 BCADHN CCN(C)C(=O)CN1CCCC[C@H]1[C@@H](C)CO ZINC000661434641 411773044 /nfs/dbraw/zinc/77/30/44/411773044.db2.gz HQAZLWLLLFIJLM-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CCCNC(=O)CN1CCCC[C@H]1[C@H](C)CO ZINC000661431037 411773662 /nfs/dbraw/zinc/77/36/62/411773662.db2.gz BFABUJJWFSWHCB-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](CO)[C@H]1CCCCN1CC(=O)NC1CC1 ZINC000661430961 411774079 /nfs/dbraw/zinc/77/40/79/411774079.db2.gz AJJPTSUTFSBBKQ-ZYHUDNBSSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1COC2(CCC2)CN1C[C@H]1CNC(=O)C1 ZINC000661460994 411780753 /nfs/dbraw/zinc/78/07/53/411780753.db2.gz AXBBPBSZQZHPMM-GHMZBOCLSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@@H]1COC2(CCC2)CN1C[C@@H]1CNC(=O)C1 ZINC000661460995 411781415 /nfs/dbraw/zinc/78/14/15/411781415.db2.gz AXBBPBSZQZHPMM-MNOVXSKESA-N 0 3 238.331 0.766 20 0 BCADHN COC[C@@H](NCCO)c1cccc(OC)c1 ZINC000661477951 411785701 /nfs/dbraw/zinc/78/57/01/411785701.db2.gz IIBGJHFLPMVNFH-GFCCVEGCSA-N 0 3 225.288 0.965 20 0 BCADHN CC(C)(C)NC(=O)CN[C@@H](CO)C1CCC1 ZINC000661152668 411720712 /nfs/dbraw/zinc/72/07/12/411720712.db2.gz BYYGFXOQUUJHOM-JTQLQIEISA-N 0 3 228.336 0.652 20 0 BCADHN CCc1nc(CN[C@@H](CO)C2CCC2)n[nH]1 ZINC000661151596 411721156 /nfs/dbraw/zinc/72/11/56/411721156.db2.gz DNJCBRDJPFHFFW-VIFPVBQESA-N 0 3 224.308 0.618 20 0 BCADHN CC[C@@H](C)NC(=O)CN[C@H](CO)C1CCC1 ZINC000661154930 411721732 /nfs/dbraw/zinc/72/17/32/411721732.db2.gz CDIBRTZTEKLNPJ-MWLCHTKSSA-N 0 3 228.336 0.652 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](C)N(C)C)C(=O)OC ZINC000338757546 170664593 /nfs/dbraw/zinc/66/45/93/170664593.db2.gz UNKUAJGAWFFTMJ-BDAKNGLRSA-N 0 3 230.308 0.252 20 0 BCADHN CCCCNC(=O)CN[C@H](CO)C1CCC1 ZINC000661159688 411724772 /nfs/dbraw/zinc/72/47/72/411724772.db2.gz WSDZVTPGDAHMBP-LLVKDONJSA-N 0 3 228.336 0.653 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CNC(=O)C1)N(CC)CC ZINC000330725064 170667729 /nfs/dbraw/zinc/66/77/29/170667729.db2.gz DRLOKUCNTACTCR-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@@H](C(=O)OC)N(C)CCN1CCCC1 ZINC000340836162 170671829 /nfs/dbraw/zinc/67/18/29/170671829.db2.gz CSRPJOHKHZARIW-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN O=C(N[C@H]1C[C@H](O)C1)N[C@H]1CCN(C2CC2)C1 ZINC000664129048 411864111 /nfs/dbraw/zinc/86/41/11/411864111.db2.gz NTHCOXUGBXHHMF-QXEWZRGKSA-N 0 3 239.319 0.046 20 0 BCADHN Cc1nnc(N[C@@H]2CCN(C)[C@@H](C)C2)o1 ZINC000380262998 411799566 /nfs/dbraw/zinc/79/95/66/411799566.db2.gz SIRIHOCXJNDYHK-IONNQARKSA-N 0 3 210.281 1.273 20 0 BCADHN CN(C[C@@H]1COCCO1)[C@H]1CCOC1 ZINC000661611244 411811000 /nfs/dbraw/zinc/81/10/00/411811000.db2.gz ITKMFPGFAVQEFN-VHSXEESVSA-N 0 3 201.266 0.123 20 0 BCADHN CCOCCCN(C)C[C@@H]1COCCO1 ZINC000661602565 411814684 /nfs/dbraw/zinc/81/46/84/411814684.db2.gz CTHDYAWKGOPECE-LLVKDONJSA-N 0 3 217.309 0.760 20 0 BCADHN CCOCC[C@H](O)CN(C)C[C@H]1COCCO1 ZINC000661611394 411816240 /nfs/dbraw/zinc/81/62/40/411816240.db2.gz KBTJMIYNEMYZOJ-RYUDHWBXSA-N 0 3 247.335 0.121 20 0 BCADHN C[C@H](O)CCN(C)C[C@H]1COCCO1 ZINC000661610505 411816547 /nfs/dbraw/zinc/81/65/47/411816547.db2.gz DUOJJOPOEDEXKQ-UWVGGRQHSA-N 0 3 203.282 0.105 20 0 BCADHN CN(CCCC(=O)N(C)C)C[C@H]1COCCO1 ZINC000661610766 411816708 /nfs/dbraw/zinc/81/67/08/411816708.db2.gz GILAMKDOHXQJLW-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN C[C@@H]1CN(Cc2cnn(C)c2)C[C@H](C)[C@H]1O ZINC000661620263 411818758 /nfs/dbraw/zinc/81/87/58/411818758.db2.gz FNVMJOHJNCJCGV-IAZYJMLFSA-N 0 3 223.320 0.869 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661621183 411820138 /nfs/dbraw/zinc/82/01/38/411820138.db2.gz BTRGNAOGTHPCDD-KLBPJQLPSA-N 0 3 240.347 0.602 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661621184 411820310 /nfs/dbraw/zinc/82/03/10/411820310.db2.gz BTRGNAOGTHPCDD-MIZYBKAJSA-N 0 3 240.347 0.602 20 0 BCADHN COC[C@@H](C)N1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639821587 411866011 /nfs/dbraw/zinc/86/60/11/411866011.db2.gz WLKINNZFHYSGKD-RKDXNWHRSA-N 0 3 240.307 0.866 20 0 BCADHN CCN(CC)C(=O)CN1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661627228 411822136 /nfs/dbraw/zinc/82/21/36/411822136.db2.gz OMCOTYZYKQQSHY-GHMZBOCLSA-N 0 3 242.363 0.804 20 0 BCADHN CCc1cc(N[C@H]2CCNC2=O)ccn1 ZINC000664135641 411866074 /nfs/dbraw/zinc/86/60/74/411866074.db2.gz UIWZTSBDPWJGID-JTQLQIEISA-N 0 3 205.261 0.366 20 0 BCADHN C[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H](C)C1O ZINC000661627943 411824337 /nfs/dbraw/zinc/82/43/37/411824337.db2.gz RRDHZKQTFSGGSZ-BBBLOLIVSA-N 0 3 226.320 0.214 20 0 BCADHN Nc1cccc(CN2C[C@H](O)[C@H](CO)C2)c1 ZINC000316564004 411824678 /nfs/dbraw/zinc/82/46/78/411824678.db2.gz TTYUFIOJBAFHFF-JQWIXIFHSA-N 0 3 222.288 0.054 20 0 BCADHN C[C@@H]1CN(Cc2ccnn2C)C[C@H](C)[C@H]1O ZINC000661629330 411824704 /nfs/dbraw/zinc/82/47/04/411824704.db2.gz WHBZALWFWMGUAV-IAZYJMLFSA-N 0 3 223.320 0.869 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC[C@@](O)(C2CC2)C1 ZINC000661632724 411826414 /nfs/dbraw/zinc/82/64/14/411826414.db2.gz RZECUDPEWJGGDK-OLZOCXBDSA-N 0 3 241.331 0.563 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCC[C@](O)(C2CC2)C1 ZINC000661636042 411827852 /nfs/dbraw/zinc/82/78/52/411827852.db2.gz IWNUECCQKVFKMX-ZWNOBZJWSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC[C@@](O)(C2CC2)C1 ZINC000661636038 411828326 /nfs/dbraw/zinc/82/83/26/411828326.db2.gz IWNUECCQKVFKMX-GWCFXTLKSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H](NCCNc1cnccn1)c1ccnn1C ZINC000447580706 411828928 /nfs/dbraw/zinc/82/89/28/411828928.db2.gz QEYVLVXICUQKJN-SNVBAGLBSA-N 0 3 246.318 0.973 20 0 BCADHN C[C@@]12COC[C@@H]1CN(Cc1c[nH]cn1)C2 ZINC000661698875 411835065 /nfs/dbraw/zinc/83/50/65/411835065.db2.gz BKXUSAJNCJDBAO-GXSJLCMTSA-N 0 3 207.277 0.878 20 0 BCADHN C[C@@]12COC[C@@H]1CN(Cc1cnc[nH]1)C2 ZINC000661698875 411835067 /nfs/dbraw/zinc/83/50/67/411835067.db2.gz BKXUSAJNCJDBAO-GXSJLCMTSA-N 0 3 207.277 0.878 20 0 BCADHN C[C@@H]1CN(C(=O)Nc2cccnn2)[C@H](C)CN1 ZINC000415252814 411839237 /nfs/dbraw/zinc/83/92/37/411839237.db2.gz AUGZTCJDNDIPKT-RKDXNWHRSA-N 0 3 235.291 0.691 20 0 BCADHN C[C@@H](C(N)=O)N1CCC[C@H](CCF)C1 ZINC000661690446 411841584 /nfs/dbraw/zinc/84/15/84/411841584.db2.gz NGKCQXBSZFOKPM-DTWKUNHWSA-N 0 3 202.273 0.932 20 0 BCADHN O=C1NCC[C@@H]1N1CCC[C@H](CCF)C1 ZINC000661692640 411841695 /nfs/dbraw/zinc/84/16/95/411841695.db2.gz IICVVZPXISISBM-ZJUUUORDSA-N 0 3 214.284 0.947 20 0 BCADHN CCCCNC(=O)CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000661698688 411846317 /nfs/dbraw/zinc/84/63/17/411846317.db2.gz SOCPNUQZJBCXOO-DGCLKSJQSA-N 0 3 240.347 0.871 20 0 BCADHN CCCNC(=O)CN1C[C@H]2COC[C@]2(C)C1 ZINC000661701179 411847482 /nfs/dbraw/zinc/84/74/82/411847482.db2.gz ZFCDZHLHFCHJQX-JQWIXIFHSA-N 0 3 226.320 0.481 20 0 BCADHN CO[C@H](C)CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000661705462 411850446 /nfs/dbraw/zinc/85/04/46/411850446.db2.gz WBPMMRDPIJBZNE-OUAUKWLOSA-N 0 3 241.335 0.367 20 0 BCADHN COC(=O)[C@]1(C)CCN(Cc2ccc(N)nc2)C1 ZINC000592430275 411851721 /nfs/dbraw/zinc/85/17/21/411851721.db2.gz SNOSDGCWUCFJKR-CYBMUJFWSA-N 0 3 249.314 1.049 20 0 BCADHN O[C@]12C[C@H]1CN(CCOC[C@H]1CCCO1)CC2 ZINC000661717270 411856743 /nfs/dbraw/zinc/85/67/43/411856743.db2.gz ROQWNQMJTMMHTL-YNEHKIRRSA-N 0 3 241.331 0.639 20 0 BCADHN COCCCN1CCC(c2nc(N)n[nH]2)CC1 ZINC000647931907 411857672 /nfs/dbraw/zinc/85/76/72/411857672.db2.gz JSATTWGRVZAVOU-UHFFFAOYSA-N 0 3 239.323 0.603 20 0 BCADHN CN1CCC[C@H](N2CC[C@@]3(O)C[C@H]3C2)C1=O ZINC000661723088 411857851 /nfs/dbraw/zinc/85/78/51/411857851.db2.gz UFEVEUOZSWIWJM-JBLDHEPKSA-N 0 3 224.304 0.064 20 0 BCADHN COCCCN1CCC(c2nnc(N)o2)CC1 ZINC000639738045 411857986 /nfs/dbraw/zinc/85/79/86/411857986.db2.gz GQEAITGKSJDSKX-UHFFFAOYSA-N 0 3 240.307 0.868 20 0 BCADHN COC[C@H](CN1CC[C@@]2(O)C[C@H]2C1)OC ZINC000661721101 411858621 /nfs/dbraw/zinc/85/86/21/411858621.db2.gz OKKHOZWSTYRCKQ-GARJFASQSA-N 0 3 215.293 0.105 20 0 BCADHN O[C@]12C[C@H]1CN(CCO[C@H]1CCCCO1)CC2 ZINC000661723734 411861289 /nfs/dbraw/zinc/86/12/89/411861289.db2.gz RVWPUZQDPDZERD-RWMBFGLXSA-N 0 3 241.331 0.986 20 0 BCADHN O=C(NC/C=C/CO)N[C@@H]1CCN(C2CC2)C1 ZINC000664127503 411862620 /nfs/dbraw/zinc/86/26/20/411862620.db2.gz HRIOMZAIBCJOOR-TXXBHVLJSA-N 0 3 239.319 0.071 20 0 BCADHN COCCN1CCC(c2nc(N)n[nH]2)CC1 ZINC000647932136 411863449 /nfs/dbraw/zinc/86/34/49/411863449.db2.gz RYBOMHGTNMWPMA-UHFFFAOYSA-N 0 3 225.296 0.213 20 0 BCADHN CC1(C)CN[C@H]1C(=O)Nc1ccc(N)nc1 ZINC000644084519 411889216 /nfs/dbraw/zinc/88/92/16/411889216.db2.gz YSSYMOTYVCFOFH-VIFPVBQESA-N 0 3 220.276 0.600 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)N[C@H]2C[C@H](O)C2)CCN1C ZINC000664220785 411889366 /nfs/dbraw/zinc/88/93/66/411889366.db2.gz YGDDJRNDJOOMLW-NAKRPEOUSA-N 0 3 241.335 0.292 20 0 BCADHN C[C@H](O)CN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662008563 411942053 /nfs/dbraw/zinc/94/20/53/411942053.db2.gz OXWUNZTYBFIRCV-UWVGGRQHSA-N 0 3 229.324 0.055 20 0 BCADHN CN1CCN(C[C@H]2CCCOC2)CCC1=O ZINC000661811646 411891087 /nfs/dbraw/zinc/89/10/87/411891087.db2.gz RNCLZAPCBKWYEF-LLVKDONJSA-N 0 3 226.320 0.577 20 0 BCADHN CC1(C)[C@H](NCc2ccnc(N)c2)C[C@@H]1O ZINC000578784198 411891450 /nfs/dbraw/zinc/89/14/50/411891450.db2.gz DCKAEUGFDPYLJO-ZJUUUORDSA-N 0 3 221.304 0.913 20 0 BCADHN CCCNC(=O)CN[C@H]1C[C@H](O)C12CCC2 ZINC000661824150 411892124 /nfs/dbraw/zinc/89/21/24/411892124.db2.gz BGDAZQGYPLMMAD-UWVGGRQHSA-N 0 3 226.320 0.406 20 0 BCADHN C[C@H](CN[C@@H]1C[C@H](O)C12CCC2)S(C)(=O)=O ZINC000661827897 411893621 /nfs/dbraw/zinc/89/36/21/411893621.db2.gz PEDCNEGMCGSXPP-BBBLOLIVSA-N 0 3 247.360 0.313 20 0 BCADHN C[C@H](CN[C@H]1C[C@H](O)C12CCC2)S(C)(=O)=O ZINC000661827900 411894065 /nfs/dbraw/zinc/89/40/65/411894065.db2.gz PEDCNEGMCGSXPP-UTLUCORTSA-N 0 3 247.360 0.313 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCc1cnccn1 ZINC000353337560 170777805 /nfs/dbraw/zinc/77/78/05/170777805.db2.gz PYBUNFHXBKHNEJ-MWLCHTKSSA-N 0 3 236.319 0.509 20 0 BCADHN CN(C(=O)CN[C@H]1C[C@@H](O)C12CCC2)C1CC1 ZINC000661830430 411895692 /nfs/dbraw/zinc/89/56/92/411895692.db2.gz HVLCQHUDSGJKCD-WDEREUQCSA-N 0 3 238.331 0.500 20 0 BCADHN O[C@H](CN[C@@H]1C[C@@H](O)C12CCC2)C(F)(F)F ZINC000661831522 411895936 /nfs/dbraw/zinc/89/59/36/411895936.db2.gz PIXMXBNPXOFPOV-BWZBUEFSSA-N 0 3 239.237 0.803 20 0 BCADHN O=c1ccccn1CCN[C@H]1C[C@@H](O)C12CCC2 ZINC000661832245 411896320 /nfs/dbraw/zinc/89/63/20/411896320.db2.gz ZMVSSQWICXONBV-NWDGAFQWSA-N 0 3 248.326 0.741 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1ncnn1C ZINC000664244786 411896759 /nfs/dbraw/zinc/89/67/59/411896759.db2.gz UPXVBCKKEXDLHX-SECBINFHSA-N 0 3 237.307 0.029 20 0 BCADHN CC[C@H](N[C@@H]1C[C@@H](O)C12CCC2)C(N)=O ZINC000661834736 411897255 /nfs/dbraw/zinc/89/72/55/411897255.db2.gz IVLOXNXRBCJRJE-DJLDLDEBSA-N 0 3 212.293 0.143 20 0 BCADHN O=C(CN[C@H]1C[C@@H](O)C12CCC2)N1CCC1 ZINC000661835002 411897539 /nfs/dbraw/zinc/89/75/39/411897539.db2.gz HZCXSBFZTITNGM-VHSXEESVSA-N 0 3 224.304 0.112 20 0 BCADHN CNC(=O)CCCN(C)Cc1ccc(N)nc1 ZINC000647517531 411899520 /nfs/dbraw/zinc/89/95/20/411899520.db2.gz UMMDIMRJDWZBJG-UHFFFAOYSA-N 0 3 236.319 0.622 20 0 BCADHN C[C@@H]1CCN(C[C@@H]2COCCO2)C[C@H](C)O1 ZINC000661853754 411903146 /nfs/dbraw/zinc/90/31/46/411903146.db2.gz WWRFRYXVSUCLNE-GRYCIOLGSA-N 0 3 229.320 0.901 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ncnn1C ZINC000664260933 411903209 /nfs/dbraw/zinc/90/32/09/411903209.db2.gz MQLHIEWAEVZVRK-SCZZXKLOSA-N 0 3 249.318 0.028 20 0 BCADHN CN[C@@H](C)c1cn(Cc2ccnc(N)c2)nn1 ZINC000641069103 411904036 /nfs/dbraw/zinc/90/40/36/411904036.db2.gz WZGDPVKFAHPQPG-QMMMGPOBSA-N 0 3 232.291 0.584 20 0 BCADHN C[C@@H]1CCN(CC2(CO)COC2)C[C@H](C)O1 ZINC000661854301 411905559 /nfs/dbraw/zinc/90/55/59/411905559.db2.gz ALZNMLCCBKOPHW-MNOVXSKESA-N 0 3 229.320 0.495 20 0 BCADHN CN(C)CCNc1nc(N)nc2c1CCCC2 ZINC000645094034 411908630 /nfs/dbraw/zinc/90/86/30/411908630.db2.gz AAAKOOYOJIOYDH-UHFFFAOYSA-N 0 3 235.335 0.333 20 0 BCADHN C[C@@]1(F)CNCCN(Cc2ccnc(N)c2)C1 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/nfs/dbraw/zinc/17/97/94/171179794.db2.gz PWRCMHZQFAPQEU-GXSJLCMTSA-N 0 3 224.308 0.755 20 0 BCADHN CC[C@@](C)(O)C[N@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000332415057 171179797 /nfs/dbraw/zinc/17/97/97/171179797.db2.gz PWRCMHZQFAPQEU-GXSJLCMTSA-N 0 3 224.308 0.755 20 0 BCADHN CC[C@@](C)(O)CN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000336740107 171184787 /nfs/dbraw/zinc/18/47/87/171184787.db2.gz PVCUJAWSUUOYPR-GZMMTYOYSA-N 0 3 225.292 0.994 20 0 BCADHN CC[C@@]1(O)CCN(CCN2CCO[C@@H](C)C2)C1 ZINC000337402945 171214854 /nfs/dbraw/zinc/21/48/54/171214854.db2.gz HYDWRKAIMVTNFZ-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000336427664 171220743 /nfs/dbraw/zinc/22/07/43/171220743.db2.gz MFZXEFOKRLLQNB-BXKDBHETSA-N 0 3 239.319 0.902 20 0 BCADHN CC[C@H](C(=O)N(C)CCOC)N(C)C ZINC000338269635 171221077 /nfs/dbraw/zinc/22/10/77/171221077.db2.gz AYTLEBIGDPINNV-SECBINFHSA-N 0 3 202.298 0.431 20 0 BCADHN CC[C@H](C(=O)N1CC(OC)C1)N(C)C ZINC000338970391 171222036 /nfs/dbraw/zinc/22/20/36/171222036.db2.gz RFNMFDCHTLZNNU-SECBINFHSA-N 0 3 200.282 0.184 20 0 BCADHN CC[C@H](C(=O)N(C)C[C@H]1CCCO1)N(C)C ZINC000125082250 171222231 /nfs/dbraw/zinc/22/22/31/171222231.db2.gz VVVMROPKNVGJJC-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@H](C(=O)N(CC)CCCO)N(C)C ZINC000339835537 171222782 /nfs/dbraw/zinc/22/27/82/171222782.db2.gz BANVNGDELOZJFD-SNVBAGLBSA-N 0 3 216.325 0.558 20 0 BCADHN CC[C@H](C(=O)N(C)[C@@H]1CCCN(C)C1)[C@@H](C)O ZINC000357360684 171223275 /nfs/dbraw/zinc/22/32/75/171223275.db2.gz IAVFNHNLOPXAGJ-UTUOFQBUSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](C(=O)N1CCNC(=O)C[C@@H]1C)N(C)C ZINC000370643326 171223776 /nfs/dbraw/zinc/22/37/76/171223776.db2.gz JDLYKNAXSZZQTI-VHSXEESVSA-N 0 3 241.335 0.064 20 0 BCADHN CC[C@H](C(=O)N1CCNC[C@H]1C)N(CC)CC ZINC000359437361 171223894 /nfs/dbraw/zinc/22/38/94/171223894.db2.gz YGCFLUFPPKGFGR-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN CC[C@H](C(=O)N1CCN(C)[C@H](C)[C@H]1C)N(C)C ZINC000356873017 171223954 /nfs/dbraw/zinc/22/39/54/171223954.db2.gz JZCGHJOQKREARC-IJLUTSLNSA-N 0 3 241.379 0.878 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H](N(C)C)C1)[C@H](C)O ZINC000357573492 171224129 /nfs/dbraw/zinc/22/41/29/171224129.db2.gz ZSKVZWAZFKUOTP-TUAOUCFPSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](C(=O)N1CCCN(CC)CC1)N(C)C ZINC000363540127 171224279 /nfs/dbraw/zinc/22/42/79/171224279.db2.gz SQYMNNZTHAUUHS-GFCCVEGCSA-N 0 3 241.379 0.881 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H](N(C)C)C1)[C@@H](C)O ZINC000357573495 171224299 /nfs/dbraw/zinc/22/42/99/171224299.db2.gz ZSKVZWAZFKUOTP-UTUOFQBUSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](C(=O)N1CCC([C@@H](C)O)CC1)N(C)C ZINC000360980889 171224324 /nfs/dbraw/zinc/22/43/24/171224324.db2.gz DAAQHIJWYJZQQD-ZYHUDNBSSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H](C(=O)N1CCC(O)CC1)N(C)C ZINC000338940136 171224416 /nfs/dbraw/zinc/22/44/16/171224416.db2.gz RGVDBAFFHDZABK-SNVBAGLBSA-N 0 3 214.309 0.310 20 0 BCADHN CC[C@H](C(=O)NC(C)(C)CO)N(CC)CC ZINC000359687350 171225817 /nfs/dbraw/zinc/22/58/17/171225817.db2.gz XICVHSYQMAFBPP-SNVBAGLBSA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@H](C(=O)N1C[C@H](C)[C@@H](CO)C1)N(C)C ZINC000360838379 171225884 /nfs/dbraw/zinc/22/58/84/171225884.db2.gz CEZBZZMPYNDVJI-HBNTYKKESA-N 0 3 228.336 0.413 20 0 BCADHN CC[C@H](C(=O)NC1(CO)CCCC1)N(C)C ZINC000331358685 171226968 /nfs/dbraw/zinc/22/69/68/171226968.db2.gz VMPDINKRHBBOKG-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN CC[C@H](C(=O)NC1CCN(C)CC1)[C@H](C)O ZINC000357308701 171227434 /nfs/dbraw/zinc/22/74/34/171227434.db2.gz QKCGKIKHQFHUJR-ONGXEEELSA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C(=O)NCCN1CCCCC1)N(C)C ZINC000124809515 171227797 /nfs/dbraw/zinc/22/77/97/171227797.db2.gz BCNCHLANGPZLRT-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CC[C@H](C(=O)NCCN1CCCCC1)[C@@H](C)O ZINC000357286841 171228015 /nfs/dbraw/zinc/22/80/15/171228015.db2.gz FVYYLXDQUMQEAA-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](C(=O)NCCN(C)CCOC)N(C)C ZINC000125093970 171228540 /nfs/dbraw/zinc/22/85/40/171228540.db2.gz DMSOCBQREOQBHX-LLVKDONJSA-N 0 3 245.367 0.021 20 0 BCADHN CC[C@H](C(=O)NCCn1ccnc1C)N(C)C ZINC000268795565 171228955 /nfs/dbraw/zinc/22/89/55/171228955.db2.gz IBBHJRVASGCVKS-LLVKDONJSA-N 0 3 238.335 0.648 20 0 BCADHN CC[C@H](C(=O)NCCN(C)C)N1CCCC1=O ZINC000130824475 171228961 /nfs/dbraw/zinc/22/89/61/171228961.db2.gz PAEBHUIGFPOVGF-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CC[C@H](C(=O)NCCCn1ccnc1)N(C)C ZINC000124441058 171229006 /nfs/dbraw/zinc/22/90/06/171229006.db2.gz NRFZUALVPSVWIB-LLVKDONJSA-N 0 3 238.335 0.730 20 0 BCADHN CC[C@H](C(=O)NC[C@H](C)CO)N(C)C ZINC000305171157 171229761 /nfs/dbraw/zinc/22/97/61/171229761.db2.gz FEFVJCKIFRJLLC-DTWKUNHWSA-N 0 3 202.298 0.071 20 0 BCADHN CC[C@H](C(=O)NC[C@H](O)C(C)C)N(C)C ZINC000305188003 171229780 /nfs/dbraw/zinc/22/97/80/171229780.db2.gz UMVXJLKQEUFFQR-ZJUUUORDSA-N 0 3 216.325 0.460 20 0 BCADHN CC[C@H](C(=O)NC[C@H](C)C[C@@H](C)O)N(C)C ZINC000305088785 171230073 /nfs/dbraw/zinc/23/00/73/171230073.db2.gz VTOCJXAGCVAQMP-GMTAPVOTSA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@H](C(=O)NCc1ncccc1[O-])[NH+](C)C ZINC000352518561 171230735 /nfs/dbraw/zinc/23/07/35/171230735.db2.gz YGEROIGNYGDZMN-SNVBAGLBSA-N 0 3 237.303 0.744 20 0 BCADHN CC[C@H](C(=O)NCc1ncccc1O)N(C)C ZINC000352518561 171230739 /nfs/dbraw/zinc/23/07/39/171230739.db2.gz YGEROIGNYGDZMN-SNVBAGLBSA-N 0 3 237.303 0.744 20 0 BCADHN CC[C@H](C(=O)NCc1cc(C)nn1C)N(C)C ZINC000285770587 171230832 /nfs/dbraw/zinc/23/08/32/171230832.db2.gz RWNUPPLZQSGIOH-LLVKDONJSA-N 0 3 238.335 0.685 20 0 BCADHN CC[C@H](C(=O)NC[C@]1(O)CCC[C@H]1C)N(C)C ZINC000359826623 171230979 /nfs/dbraw/zinc/23/09/79/171230979.db2.gz BSTNNIBXNKYUTJ-NQBHXWOUSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)NCc1ncc[nH]1)N(C)C ZINC000125375824 171231089 /nfs/dbraw/zinc/23/10/89/171231089.db2.gz GOLVKTACEMJAKG-MRVPVSSYSA-N 0 3 210.281 0.366 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)CC(=O)OC)N(C)C ZINC000359149391 171231549 /nfs/dbraw/zinc/23/15/49/171231549.db2.gz NDOWFPJDKSQSCN-DTWKUNHWSA-N 0 3 230.308 0.394 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)c1nnc[n-]1)[NH+](C)C ZINC000165973539 171231961 /nfs/dbraw/zinc/23/19/61/171231961.db2.gz DQNRGUSGWGTUDX-JGVFFNPUSA-N 0 3 225.296 0.322 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)[C@@H]1CCOC1)N(C)C ZINC000119988247 171232093 /nfs/dbraw/zinc/23/20/93/171232093.db2.gz UUKIIIYSBKDOBT-HBNTYKKESA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)c1cn[nH]c1)N(C)C ZINC000270555909 171232220 /nfs/dbraw/zinc/23/22/20/171232220.db2.gz ZRNNJWODXKKCEL-WCBMZHEXSA-N 0 3 224.308 0.927 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CCO)CSC)N(C)C ZINC000305666091 171232429 /nfs/dbraw/zinc/23/24/29/171232429.db2.gz IBYFADOFJSJDSG-VHSXEESVSA-N 0 3 248.392 0.557 20 0 BCADHN CC[C@H](C(=O)N[C@H](C)c1nnc(C)[nH]1)N(C)C ZINC000286222949 171232550 /nfs/dbraw/zinc/23/25/50/171232550.db2.gz CGFBXHWPDXFKTI-VXNVDRBHSA-N 0 3 239.323 0.631 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CCC[C@@]1(C)CO)N(C)C ZINC000331354924 171233817 /nfs/dbraw/zinc/23/38/17/171233817.db2.gz PZBDQRZSKSMIOQ-MDZLAQPJSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CNC(=O)C1)N(CC)CC ZINC000330725061 171234409 /nfs/dbraw/zinc/23/44/09/171234409.db2.gz DRLOKUCNTACTCR-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@@H](C(=O)OC)C(C)(C)C1 ZINC000377985061 171245066 /nfs/dbraw/zinc/24/50/66/171245066.db2.gz FLRISDJFSPSPFZ-DTWKUNHWSA-N 0 3 242.319 0.381 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000366660732 171245406 /nfs/dbraw/zinc/24/54/06/171245406.db2.gz ZQGKKHSIAYASNN-GARJFASQSA-N 0 3 226.320 0.609 20 0 BCADHN C[C@@H](NC[C@@H]1CNCCO1)c1ccccn1 ZINC000662284578 412074599 /nfs/dbraw/zinc/07/45/99/412074599.db2.gz ZEDGYKIXXWIKKP-MNOVXSKESA-N 0 3 221.304 0.721 20 0 BCADHN CC[C@H](C)CN(C)[C@H](C)C(=O)NC(=O)NC ZINC000247598468 171273894 /nfs/dbraw/zinc/27/38/94/171273894.db2.gz OTIYSBHRMATZQZ-DTWKUNHWSA-N 0 3 229.324 0.808 20 0 BCADHN CC[C@H](C)CN(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336644123 171274397 /nfs/dbraw/zinc/27/43/97/171274397.db2.gz BSPMAEOEZZESCN-QWRGUYRKSA-N 0 3 248.392 0.998 20 0 BCADHN CC[C@H](C)CN1CCC[C@H](S(N)(=O)=O)C1 ZINC000374934422 171280464 /nfs/dbraw/zinc/28/04/64/171280464.db2.gz UQZBYNGMCIOLQI-UWVGGRQHSA-N 0 3 234.365 0.785 20 0 BCADHN CC[C@H](C)CNCc1cc(C(N)=O)no1 ZINC000276336856 171286219 /nfs/dbraw/zinc/28/62/19/171286219.db2.gz YHVLMRUTRMKOOF-ZETCQYMHSA-N 0 3 211.265 0.909 20 0 BCADHN CC[C@H](C)CS(=O)(=O)N[C@H]1CCCNC1 ZINC000237118345 171292648 /nfs/dbraw/zinc/29/26/48/171292648.db2.gz MBNJAUWAECEUEC-UWVGGRQHSA-N 0 3 234.365 0.704 20 0 BCADHN CC[C@H](C)N(CCO)CC(=O)N1CCC1 ZINC000308835535 171313174 /nfs/dbraw/zinc/31/31/74/171313174.db2.gz WDPJUUPENAWSSS-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN CC[C@H](C)N(CCO)CC(=O)N(C)CC ZINC000336704054 171313357 /nfs/dbraw/zinc/31/33/57/171313357.db2.gz QKYVGDUSWKFPAL-JTQLQIEISA-N 0 3 216.325 0.558 20 0 BCADHN CC[C@H](C)N(CCO)CC(=O)NCC(C)C ZINC000336667890 171313496 /nfs/dbraw/zinc/31/34/96/171313496.db2.gz QNMNEWRACQSLNK-NSHDSACASA-N 0 3 230.352 0.851 20 0 BCADHN CC[C@H](C)NC(=O)CCNCc1ccnn1C ZINC000038014064 171322954 /nfs/dbraw/zinc/32/29/54/171322954.db2.gz MSRVMXKJZZOOCT-JTQLQIEISA-N 0 3 238.335 0.815 20 0 BCADHN CC[C@H](C)NC(=O)CN1C[C@H](C)[C@@H](CO)C1 ZINC000362076430 171324961 /nfs/dbraw/zinc/32/49/61/171324961.db2.gz LAPROKAVHYXWOP-GARJFASQSA-N 0 3 228.336 0.461 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N(C)CCCCO ZINC000349924063 171331458 /nfs/dbraw/zinc/33/14/58/171331458.db2.gz ZPXDTVNSKYHPJY-WDEREUQCSA-N 0 3 230.352 0.994 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N1CC[C@H](CO)C1 ZINC000051887981 171332915 /nfs/dbraw/zinc/33/29/15/171332915.db2.gz ANIJKLRNUJRZOJ-AXFHLTTASA-N 0 3 228.336 0.604 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N1C[C@@H](CC)[C@H](O)C1 ZINC000341029180 171334302 /nfs/dbraw/zinc/33/43/02/171334302.db2.gz NYKBDEHFLSMHPM-NNYUYHANSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N1CC[C@H]([C@H](C)O)C1 ZINC000252775443 171334600 /nfs/dbraw/zinc/33/46/00/171334600.db2.gz NSIIZELDRHDYCE-BJDJZHNGSA-N 0 3 242.363 0.992 20 0 BCADHN CC[C@H](C)[C@@H](C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358086176 171359832 /nfs/dbraw/zinc/35/98/32/171359832.db2.gz ZEGCUTAVPQLRNI-LOWVWBTDSA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@H](C)[C@@H](CNCc1cnnn1C)OC ZINC000362974793 171368494 /nfs/dbraw/zinc/36/84/94/171368494.db2.gz BYRMKFNPMNAUHO-GXSJLCMTSA-N 0 3 226.324 0.966 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N(C)CC(=O)NC(C)C ZINC000037801323 171369592 /nfs/dbraw/zinc/36/95/92/171369592.db2.gz RSPJHAUHAORPTG-GXSJLCMTSA-N 0 3 243.351 0.343 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCN[C@H](C)C1 ZINC000188439332 171369995 /nfs/dbraw/zinc/36/99/95/171369995.db2.gz ZSVVSUPYOKMEHC-IVZWLZJFSA-N 0 3 213.325 0.180 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000372896943 171370080 /nfs/dbraw/zinc/37/00/80/171370080.db2.gz HZOVTWVBGAQITJ-NNYUYHANSA-N 0 3 239.363 0.713 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000019485302 171370158 /nfs/dbraw/zinc/37/01/58/171370158.db2.gz LEGMXQKXJHIAHM-UKKRHICBSA-N 0 3 228.336 0.996 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)N1CCNC(=O)C[C@@H]1C ZINC000365009777 171370188 /nfs/dbraw/zinc/37/01/88/171370188.db2.gz MPAVQQOIUTWTLJ-ATZCPNFKSA-N 0 3 241.335 0.097 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCC(C)(C)C(=O)OC ZINC000237060244 171371138 /nfs/dbraw/zinc/37/11/38/171371138.db2.gz RWKJCTVGKJTFOI-DTWKUNHWSA-N 0 3 244.335 0.675 20 0 BCADHN CC[C@H](C)[C@@H](N)C(=O)NCCN1CCCCC1 ZINC000049575489 171371834 /nfs/dbraw/zinc/37/18/34/171371834.db2.gz KEQYWOFZUKXFKT-NWDGAFQWSA-N 0 3 241.379 0.962 20 0 BCADHN CN(C(=O)[C@@H](O)C1CC1)C1CCN(C)CC1 ZINC000665073625 412082215 /nfs/dbraw/zinc/08/22/15/412082215.db2.gz WFDNEIGLSCPBPC-NSHDSACASA-N 0 3 226.320 0.310 20 0 BCADHN CN(C(=O)[C@H](O)C1CC1)C1CCN(C)CC1 ZINC000665073624 412082391 /nfs/dbraw/zinc/08/23/91/412082391.db2.gz WFDNEIGLSCPBPC-LLVKDONJSA-N 0 3 226.320 0.310 20 0 BCADHN CC[C@H](C)[C@@H](NC(=O)[C@H](C)N)C(=O)OC ZINC000040457675 171373611 /nfs/dbraw/zinc/37/36/11/171373611.db2.gz UEWPOYCHGCGVJS-BIIVOSGPSA-N 0 3 216.281 0.038 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)C(N)C(F)(F)F ZINC000352970517 171377021 /nfs/dbraw/zinc/37/70/21/171377021.db2.gz ZZVJGLWWUKSARV-LYFYHCNISA-N 0 3 242.241 0.399 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)[C@@H](N)CC(C)C ZINC000236978343 171377306 /nfs/dbraw/zinc/37/73/06/171377306.db2.gz SISVHECSOWITTH-DCAQKATOSA-N 0 3 230.352 0.883 20 0 BCADHN CC[C@@H](NC)C(=O)NCC(=O)N1CCCCC1 ZINC000662385701 412138665 /nfs/dbraw/zinc/13/86/65/412138665.db2.gz BKSNFSYGFPYORM-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN CC[C@H](C)[C@H](C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358086168 171384937 /nfs/dbraw/zinc/38/49/37/171384937.db2.gz ZEGCUTAVPQLRNI-GMXVVIOVSA-N 0 3 242.363 0.851 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)Cc1nccn1C ZINC000037822999 171392921 /nfs/dbraw/zinc/39/29/21/171392921.db2.gz UWYPCUNNBAHPFS-ONGXEEELSA-N 0 3 238.335 0.752 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCC(=O)NC(C)C ZINC000122477153 171393883 /nfs/dbraw/zinc/39/38/83/171393883.db2.gz UHNBJLLLDNCOSQ-ONGXEEELSA-N 0 3 243.351 0.391 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(CC(N)=O)C(C)C ZINC000036134815 171393964 /nfs/dbraw/zinc/39/39/64/171393964.db2.gz KUYXXOXWZZGZFN-WPRPVWTQSA-N 0 3 229.324 0.082 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCN(C2CC2)CC1 ZINC000037827006 171393983 /nfs/dbraw/zinc/39/39/83/171393983.db2.gz ZJXJNZIIODZNPF-JQWIXIFHSA-N 0 3 239.363 0.666 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCC(OC)CC1 ZINC000037266772 171394012 /nfs/dbraw/zinc/39/40/12/171394012.db2.gz WWHQKBOGIOZZQS-ONGXEEELSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCC(=O)OC ZINC000040859702 171394363 /nfs/dbraw/zinc/39/43/63/171394363.db2.gz RVIQKBOZJROYAO-CBAPKCEASA-N 0 3 216.281 0.039 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](OC)C1 ZINC000038952349 171394393 /nfs/dbraw/zinc/39/43/93/171394393.db2.gz HSBRYILGLUJYAH-AEJSXWLSSA-N 0 3 214.309 0.607 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC1CC1 ZINC000237020663 171394397 /nfs/dbraw/zinc/39/43/97/171394397.db2.gz JNIYPVBBSNFXTP-KWQFWETISA-N 0 3 241.335 0.002 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCn1cnnc1C ZINC000237035446 171394914 /nfs/dbraw/zinc/39/49/14/171394914.db2.gz GBUMSTHOOLYMLI-WPRPVWTQSA-N 0 3 239.323 0.076 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1cc(C)no1 ZINC000045007098 171394954 /nfs/dbraw/zinc/39/49/54/171394954.db2.gz WJSPDMDKPDXGNJ-XVKPBYJWSA-N 0 3 225.292 0.973 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCc1cnn(C)c1 ZINC000128102915 171395734 /nfs/dbraw/zinc/39/57/34/171395734.db2.gz DCSGRBFZFPGHFU-ONGXEEELSA-N 0 3 238.335 0.452 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)Nc1ccnn1C ZINC000044593735 171396783 /nfs/dbraw/zinc/39/67/83/171396783.db2.gz ZVZVOULXRMBRKP-CBAPKCEASA-N 0 3 210.281 0.732 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726678 171396961 /nfs/dbraw/zinc/39/69/61/171396961.db2.gz DBBJGEUQUUHWJV-NHCYSSNCSA-N 0 3 239.363 0.713 20 0 BCADHN NC(=O)CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662387616 412139991 /nfs/dbraw/zinc/13/99/91/412139991.db2.gz FYVLSWWESZYXBG-LLVKDONJSA-N 0 3 247.298 0.213 20 0 BCADHN C[C@H]1NC(=O)N(CCN2CC3CC2(C)C3)C1=O ZINC000662386120 412140258 /nfs/dbraw/zinc/14/02/58/412140258.db2.gz UHOOLXMTYPCVNW-YDNLMGDJSA-N 0 3 237.303 0.411 20 0 BCADHN C[C@@H](C(N)=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310516 412094289 /nfs/dbraw/zinc/09/42/89/412094289.db2.gz SGGKBSNFAQNMDM-WCFLWFBJSA-N 0 3 238.331 0.753 20 0 BCADHN C[C@@H]1CCN(C[C@H]2CNCCO2)C[C@H](C)O1 ZINC000662315210 412096437 /nfs/dbraw/zinc/09/64/37/412096437.db2.gz QPVQCQDXOOHJAY-GRYCIOLGSA-N 0 3 228.336 0.474 20 0 BCADHN CCOC1(C(=O)NCCN(C)C)CCC1 ZINC000665110718 412097468 /nfs/dbraw/zinc/09/74/68/412097468.db2.gz LSRZHSYJZMVCKU-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN Cc1nccnc1C(=O)NCCN(C)C ZINC000665111540 412099059 /nfs/dbraw/zinc/09/90/59/412099059.db2.gz COKHKKAWKPBWFY-UHFFFAOYSA-N 0 3 208.265 0.076 20 0 BCADHN CN(C)CCNC(=O)c1c(C2CC2)cnn1C ZINC000665111673 412099179 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215.293 0.293 20 0 BCADHN CN(C)CCn1ccc(NC(=O)CC2CC2)n1 ZINC000331950245 412168944 /nfs/dbraw/zinc/16/89/44/412168944.db2.gz SXPNSFFVFPZBKH-UHFFFAOYSA-N 0 3 236.319 1.183 20 0 BCADHN CN(C)CCn1ccc(NC(=O)N2CC=CC2)n1 ZINC000639722754 412169017 /nfs/dbraw/zinc/16/90/17/412169017.db2.gz LVHYTTSQXQKJRG-UHFFFAOYSA-N 0 3 249.318 0.848 20 0 BCADHN O=C(N1CCOCC1)C1(NC2CC2)CCC1 ZINC000662432680 412170066 /nfs/dbraw/zinc/17/00/66/412170066.db2.gz SFOPBQIIGGMQIF-UHFFFAOYSA-N 0 3 224.304 0.520 20 0 BCADHN CC[C@@H](N)C(=O)NCCO[C@@H]1CC1(F)F ZINC000662645527 412255515 /nfs/dbraw/zinc/25/55/15/412255515.db2.gz JXXGOTURGJDUKT-RNFRBKRXSA-N 0 3 222.235 0.264 20 0 BCADHN CN1CC[C@@H](CNc2cc(C#N)cnn2)C1 ZINC000396948629 412256577 /nfs/dbraw/zinc/25/65/77/412256577.db2.gz ZOJUJFJKWGSRDR-VIFPVBQESA-N 0 3 217.276 0.712 20 0 BCADHN CN1CC[C@H](C(=O)Nc2cc3n(n2)CCCC3)C1 ZINC000334303669 412256805 /nfs/dbraw/zinc/25/68/05/412256805.db2.gz FQOXOLGVSPFHRV-JTQLQIEISA-N 0 3 248.330 1.110 20 0 BCADHN CC(C)(N)C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000335367237 412257607 /nfs/dbraw/zinc/25/76/07/412257607.db2.gz FDVAQGLFZSJPFC-UHFFFAOYSA-N 0 3 236.197 1.104 20 0 BCADHN CN1CC[C@](O)(CNc2ncnc3c2CCC3)C1 ZINC000545165166 412257792 /nfs/dbraw/zinc/25/77/92/412257792.db2.gz YMRKDPZROVRROR-ZDUSSCGKSA-N 0 3 248.330 0.444 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccon1 ZINC000335330133 412258879 /nfs/dbraw/zinc/25/88/79/412258879.db2.gz GYMRSWTYPUHEOG-VIFPVBQESA-N 0 3 238.291 1.233 20 0 BCADHN CN(CC1=CCCOC1)C(=O)[C@@H](N)C1CCC1 ZINC000662662292 412262709 /nfs/dbraw/zinc/26/27/09/412262709.db2.gz PJNLRNNZXNOESF-LBPRGKRZSA-N 0 3 238.331 0.919 20 0 BCADHN C[C@H]1CCC[C@H](CNC(=O)C2(N)CCC2)O1 ZINC000662667310 412265739 /nfs/dbraw/zinc/26/57/39/412265739.db2.gz VQDGYLZLILQGNP-VHSXEESVSA-N 0 3 226.320 0.942 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000662667759 412266328 /nfs/dbraw/zinc/26/63/28/412266328.db2.gz YCRDYQPTIJLBND-GUBZILKMSA-N 0 3 214.309 0.798 20 0 BCADHN 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20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662710424 412279000 /nfs/dbraw/zinc/27/90/00/412279000.db2.gz GVJOGZJJWOACKO-USZNOCQGSA-N 0 3 240.347 0.855 20 0 BCADHN CC(C)NCC(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662713847 412279880 /nfs/dbraw/zinc/27/98/80/412279880.db2.gz ZLUJWTBOQHZVDK-QWRGUYRKSA-N 0 3 226.320 0.479 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662710848 412279914 /nfs/dbraw/zinc/27/99/14/412279914.db2.gz JPQNYKUOKSITQG-GVXVVHGQSA-N 0 3 240.347 0.999 20 0 BCADHN Cn1ccnc1CNC(=O)C1(NC2CC2)CCC1 ZINC000662717859 412282045 /nfs/dbraw/zinc/28/20/45/412282045.db2.gz SJPZMSAFAACHNO-UHFFFAOYSA-N 0 3 248.330 0.711 20 0 BCADHN CC[C@H]1CCCCN1C(=O)CN1CCNCC1 ZINC000036923903 171604374 /nfs/dbraw/zinc/60/43/74/171604374.db2.gz TWPXKGGEPMRLDR-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN CN(Cc1c[nH]cn1)C(=O)C(N)C(F)(F)F ZINC000662586187 412227885 /nfs/dbraw/zinc/22/78/85/412227885.db2.gz QGJMKMIHWOKOHM-LURJTMIESA-N 0 3 236.197 0.258 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)Cc1c[nH]cn1 ZINC000662586373 412230874 /nfs/dbraw/zinc/23/08/74/412230874.db2.gz TUMQYWBBYHYSKO-NSHDSACASA-N 0 3 224.308 0.886 20 0 BCADHN CC[C@@H](NC)C(=O)N(CC)c1cnn(C)c1 ZINC000662585929 412230884 /nfs/dbraw/zinc/23/08/84/412230884.db2.gz MJZZARONNAWNDD-SNVBAGLBSA-N 0 3 224.308 0.771 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)Cc1c[nH]cn1 ZINC000662586641 412231318 /nfs/dbraw/zinc/23/13/18/412231318.db2.gz XQIIOZUXIVMJDD-VIFPVBQESA-N 0 3 210.281 0.351 20 0 BCADHN Cc1cc(CNC(=O)C2(N)CC3(CCC3)C2)[nH]n1 ZINC000662588731 412232611 /nfs/dbraw/zinc/23/26/11/412232611.db2.gz GIWXSBZIQUVCAG-UHFFFAOYSA-N 0 3 248.330 0.996 20 0 BCADHN Cc1cc(CNC(=O)C2(N)CC3(CCC3)C2)n[nH]1 ZINC000662588731 412232614 /nfs/dbraw/zinc/23/26/14/412232614.db2.gz GIWXSBZIQUVCAG-UHFFFAOYSA-N 0 3 248.330 0.996 20 0 BCADHN O=C(NCC1(CO)CC1)C1(NC2CC2)CCC1 ZINC000662592681 412234185 /nfs/dbraw/zinc/23/41/85/412234185.db2.gz JNJDKUKZPQARFU-UHFFFAOYSA-N 0 3 238.331 0.550 20 0 BCADHN CC(C)Cc1cc(NC(=O)[C@H](C)N)n[nH]1 ZINC000564936399 412287951 /nfs/dbraw/zinc/28/79/51/412287951.db2.gz MGWCVJNFPCYIFA-ZETCQYMHSA-N 0 3 210.281 0.894 20 0 BCADHN Nc1cccc(CNC(=O)[C@H](N)CC(F)F)c1 ZINC000662615279 412242891 /nfs/dbraw/zinc/24/28/91/412242891.db2.gz ZZUFASGLXPGNOQ-SECBINFHSA-N 0 3 243.257 0.868 20 0 BCADHN COC[C@@H](CCNC(=O)C1(N)CCC1)OC ZINC000662616388 412243299 /nfs/dbraw/zinc/24/32/99/412243299.db2.gz GJFJSDYBZORXET-SECBINFHSA-N 0 3 230.308 0.036 20 0 BCADHN COC[C@H](CCNC(=O)C1(N)CCC1)OC ZINC000662616390 412243541 /nfs/dbraw/zinc/24/35/41/412243541.db2.gz GJFJSDYBZORXET-VIFPVBQESA-N 0 3 230.308 0.036 20 0 BCADHN COc1ccc(CN(C)C(=O)C2(N)CCC2)cn1 ZINC000662618999 412244026 /nfs/dbraw/zinc/24/40/26/412244026.db2.gz HRZLKPKFGAUTBS-UHFFFAOYSA-N 0 3 249.314 0.930 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCC[C@H](COC)OC ZINC000662618463 412244364 /nfs/dbraw/zinc/24/43/64/412244364.db2.gz XPDKOGUXTGQBTG-ZYHUDNBSSA-N 0 3 246.351 0.672 20 0 BCADHN CN1CC=C(CNc2cnccn2)CC1 ZINC000336768412 412245314 /nfs/dbraw/zinc/24/53/14/412245314.db2.gz UBWATUHDKWTYFH-UHFFFAOYSA-N 0 3 204.277 1.150 20 0 BCADHN CC[C@@H](C)CCNC(=O)C[C@@H]1CNCCO1 ZINC000662626525 412246830 /nfs/dbraw/zinc/24/68/30/412246830.db2.gz IQFVFJGHRNWAPM-GHMZBOCLSA-N 0 3 228.336 0.917 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1CCc2nccnc2C1 ZINC000662733700 412288335 /nfs/dbraw/zinc/28/83/35/412288335.db2.gz JQVGYTWYPXRZJX-JTQLQIEISA-N 0 3 248.330 0.735 20 0 BCADHN CN[C@@H](C)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000662822268 412311640 /nfs/dbraw/zinc/31/16/40/412311640.db2.gz LULOYNJYBAFFKT-CIUDSAMLSA-N 0 3 214.309 0.667 20 0 BCADHN CC[C@@H](NC(=O)[C@H](C)NC)[C@@H]1CCCO1 ZINC000662826561 412313150 /nfs/dbraw/zinc/31/31/50/412313150.db2.gz HUJFNYIKIMIXTM-AEJSXWLSSA-N 0 3 214.309 0.668 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@H](OC)CC1 ZINC000662835092 412314167 /nfs/dbraw/zinc/31/41/67/412314167.db2.gz LCSIFWMXNCBCDM-VHSXEESVSA-N 0 3 214.309 0.751 20 0 BCADHN CC[C@H](N)C(=O)N1CCC[C@H](OC)CC1 ZINC000662835091 412314849 /nfs/dbraw/zinc/31/48/49/412314849.db2.gz LCSIFWMXNCBCDM-UWVGGRQHSA-N 0 3 214.309 0.751 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)C(N)C(F)(F)F ZINC000662831754 412315265 /nfs/dbraw/zinc/31/52/65/412315265.db2.gz CCSCHEFSLGIQLH-RITPCOANSA-N 0 3 228.214 0.009 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000662835275 412315407 /nfs/dbraw/zinc/31/54/07/412315407.db2.gz LVCAARYWXJGGAE-QWRGUYRKSA-N 0 3 228.336 0.997 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662832154 412315572 /nfs/dbraw/zinc/31/55/72/412315572.db2.gz FLBRNLBMQYOVLL-SNVBAGLBSA-N 0 3 240.347 0.781 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)[C@@H]1NCC1(C)C ZINC000662832514 412315670 /nfs/dbraw/zinc/31/56/70/412315670.db2.gz HZPVVKBTHPUJLM-BDAKNGLRSA-N 0 3 214.309 0.118 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000662850312 412321528 /nfs/dbraw/zinc/32/15/28/412321528.db2.gz MBVKRYMRVBFZIX-CIUDSAMLSA-N 0 3 248.273 0.749 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCCOCCF ZINC000663002684 412366720 /nfs/dbraw/zinc/36/67/20/412366720.db2.gz GWZILPNREJNOGP-IUCAKERBSA-N 0 3 220.288 0.462 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1c(C)cnn1C ZINC000662850216 412321747 /nfs/dbraw/zinc/32/17/47/412321747.db2.gz RAQNFQPRAHSGSY-MRVPVSSYSA-N 0 3 210.281 0.665 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N[C@H](CO)C1CCC1 ZINC000662848953 412322116 /nfs/dbraw/zinc/32/21/16/412322116.db2.gz IRVIYRCARWIHCP-NXEZZACHSA-N 0 3 228.336 0.637 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](CO)C1CCC1 ZINC000662849011 412322242 /nfs/dbraw/zinc/32/22/42/412322242.db2.gz JHZTYABDKWYGMF-PWSUYJOCSA-N 0 3 228.336 0.781 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](CO)C1CCC1 ZINC000662850252 412322260 /nfs/dbraw/zinc/32/22/60/412322260.db2.gz SHYVCWIRWBDJMZ-IEBDPFPHSA-N 0 3 228.336 0.637 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N[C@@H](CO)C1CCC1 ZINC000662848954 412322283 /nfs/dbraw/zinc/32/22/83/412322283.db2.gz IRVIYRCARWIHCP-VHSXEESVSA-N 0 3 228.336 0.637 20 0 BCADHN CC(C)c1nnc(NC[C@H](C)N(C)C)o1 ZINC000450277465 412322472 /nfs/dbraw/zinc/32/24/72/412322472.db2.gz MLCHQDZISLATMY-QMMMGPOBSA-N 0 3 212.297 1.555 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)N[C@@H](CO)C2CCC2)C1 ZINC000662852026 412322682 /nfs/dbraw/zinc/32/26/82/412322682.db2.gz GZOWSYSACXDMQY-USWWRNFRSA-N 0 3 240.347 0.652 20 0 BCADHN O=C(NCCCCO)C1(NC2CC2)CCC1 ZINC000662853220 412323097 /nfs/dbraw/zinc/32/30/97/412323097.db2.gz NMMBVYSLQZLSSL-UHFFFAOYSA-N 0 3 226.320 0.550 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)N[C@H](CO)C2CCC2)C1 ZINC000662852027 412323394 /nfs/dbraw/zinc/32/33/94/412323394.db2.gz GZOWSYSACXDMQY-YUSALJHKSA-N 0 3 240.347 0.652 20 0 BCADHN O=C(NC/C=C/CO)c1ccc2c(c1)CNC2 ZINC000662856537 412327149 /nfs/dbraw/zinc/32/71/49/412327149.db2.gz WNKOJEUOKYJYAZ-OWOJBTEDSA-N 0 3 232.283 0.568 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)NC/C=C\CO)C1 ZINC000662859428 412328612 /nfs/dbraw/zinc/32/86/12/412328612.db2.gz MLSJIVOQANDJFM-LTFJCZIQSA-N 0 3 212.293 0.039 20 0 BCADHN O=C(NCCNc1ccncc1)Nc1ccon1 ZINC000345924808 412329480 /nfs/dbraw/zinc/32/94/80/412329480.db2.gz RVHLFXRBXJWXCU-UHFFFAOYSA-N 0 3 247.258 0.725 20 0 BCADHN CC1(CNC(=O)COC2(C)CNC2)CC1 ZINC000219037382 412329539 /nfs/dbraw/zinc/32/95/39/412329539.db2.gz HNKKPZWPLRHOEH-UHFFFAOYSA-N 0 3 212.293 0.281 20 0 BCADHN C[C@]12COC[C@@H]1CN(C(=O)[C@H]1CCCCN1)C2 ZINC000662880356 412334464 /nfs/dbraw/zinc/33/44/64/412334464.db2.gz KGCUIZPRFZKBFZ-LOWVWBTDSA-N 0 3 238.331 0.623 20 0 BCADHN C[C@@]12COC[C@@H]1CN(C(=O)[C@H]1CCCCN1)C2 ZINC000662880352 412334726 /nfs/dbraw/zinc/33/47/26/412334726.db2.gz KGCUIZPRFZKBFZ-DMDPSCGWSA-N 0 3 238.331 0.623 20 0 BCADHN CCC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000335891359 412335050 /nfs/dbraw/zinc/33/50/50/412335050.db2.gz CHLKONCSBBHSEH-UHFFFAOYSA-N 0 3 236.319 1.498 20 0 BCADHN CN1CCN(CCCNC(=O)CCCF)CC1 ZINC000665489435 412336463 /nfs/dbraw/zinc/33/64/63/412336463.db2.gz RYTUCFJIPFJBJB-UHFFFAOYSA-N 0 3 245.342 0.490 20 0 BCADHN COc1ccc(N(C)C(=O)C2(N)CCC2)cn1 ZINC000662897596 412338665 /nfs/dbraw/zinc/33/86/65/412338665.db2.gz LHWXCFYUZZVWJX-UHFFFAOYSA-N 0 3 235.287 0.934 20 0 BCADHN COc1ccc(N(C)C(=O)C(C)(C)N)cn1 ZINC000662899504 412339660 /nfs/dbraw/zinc/33/96/60/412339660.db2.gz DQZANVJJZTVTDP-UHFFFAOYSA-N 0 3 223.276 0.790 20 0 BCADHN CCn1ccnc1[C@H](C)NC(=O)[C@H](C)NC ZINC000662902589 412341088 /nfs/dbraw/zinc/34/10/88/412341088.db2.gz QFELCRWRMCFECA-IUCAKERBSA-N 0 3 224.308 0.688 20 0 BCADHN CCCCN(C)CCNC(=O)Nc1ccon1 ZINC000350040226 412341238 /nfs/dbraw/zinc/34/12/38/412341238.db2.gz UMZZQGKSZZWABJ-UHFFFAOYSA-N 0 3 240.307 1.528 20 0 BCADHN O=C(C[C@H]1CNCCO1)NC1CC2(CCC2)C1 ZINC000662907711 412342104 /nfs/dbraw/zinc/34/21/04/412342104.db2.gz VTHAYZUHUMNEAM-NSHDSACASA-N 0 3 238.331 0.814 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000662908375 412342114 /nfs/dbraw/zinc/34/21/14/412342114.db2.gz UERWNOWFNJWLHV-GXSJLCMTSA-N 0 3 212.293 0.363 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000662907935 412342514 /nfs/dbraw/zinc/34/25/14/412342514.db2.gz RGCBTVSMCGDKBL-JQWIXIFHSA-N 0 3 226.320 0.753 20 0 BCADHN C[C@@H](NC(=O)CN)C1CCC(F)CC1 ZINC000662913279 412343752 /nfs/dbraw/zinc/34/37/52/412343752.db2.gz PLBPEWKTGHYCPW-AFPNSQJFSA-N 0 3 202.273 0.978 20 0 BCADHN Cc1cc(NC(=O)NCC2(N(C)C)CC2)no1 ZINC000417158765 412367471 /nfs/dbraw/zinc/36/74/71/412367471.db2.gz OAJJHNVSFNMCLM-UHFFFAOYSA-N 0 3 238.291 1.199 20 0 BCADHN CCCCc1cc(NC(=O)C2(N)CCC2)n[nH]1 ZINC000568756579 412345482 /nfs/dbraw/zinc/34/54/82/412345482.db2.gz LJWVSRIIWDZLPR-UHFFFAOYSA-N 0 3 236.319 1.572 20 0 BCADHN O=C([C@H]1CCCCN1)N1CC[C@H]2COC[C@H]2C1 ZINC000662918487 412346114 /nfs/dbraw/zinc/34/61/14/412346114.db2.gz INOZVLIZBYTUDW-QJPTWQEYSA-N 0 3 238.331 0.623 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCOCCF ZINC000663005810 412367557 /nfs/dbraw/zinc/36/75/57/412367557.db2.gz XNIWYXWTGXXMHW-QMMMGPOBSA-N 0 3 206.261 0.072 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)C1(N(C)C)CC1 ZINC000665529667 412348398 /nfs/dbraw/zinc/34/83/98/412348398.db2.gz QQDNIHRSKBSJPE-NSHDSACASA-N 0 3 239.363 0.681 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@@H](COC)OC ZINC000665529789 412349113 /nfs/dbraw/zinc/34/91/13/412349113.db2.gz UTZRPIYPEKWSJG-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](C)c1nccn1C ZINC000662935090 412349209 /nfs/dbraw/zinc/34/92/09/412349209.db2.gz RXULCWBMQPMEEW-SFYZADRCSA-N 0 3 210.281 0.205 20 0 BCADHN CC(C)NCC(=O)N[C@H](C)c1nccn1C ZINC000662933989 412349239 /nfs/dbraw/zinc/34/92/39/412349239.db2.gz LHXJWHKKMWQINP-SECBINFHSA-N 0 3 224.308 0.595 20 0 BCADHN N[C@@H]1CN(C(=O)CCn2ccnc2)CC[C@H]1F ZINC000662944014 412351185 /nfs/dbraw/zinc/35/11/85/412351185.db2.gz HCGLPMJJWZMWQV-NXEZZACHSA-N 0 3 240.282 0.171 20 0 BCADHN CNCC(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662949227 412352087 /nfs/dbraw/zinc/35/20/87/412352087.db2.gz AQYMGVGDONKUDU-ZETCQYMHSA-N 0 3 240.225 0.386 20 0 BCADHN C[C@H]1CN(C(=O)CN)C[C@@H](CC(F)(F)F)O1 ZINC000662948643 412352437 /nfs/dbraw/zinc/35/24/37/412352437.db2.gz AIKWUELKIROBSR-NKWVEPMBSA-N 0 3 240.225 0.513 20 0 BCADHN CC[C@H](N)C(=O)N(C)CC1=CCSC1 ZINC000662952301 412352825 /nfs/dbraw/zinc/35/28/25/412352825.db2.gz SWMUSIVCQCYTAO-VIFPVBQESA-N 0 3 214.334 0.855 20 0 BCADHN O=C(Nc1cc[nH]n1)[C@H]1CNCCC1(F)F ZINC000638799978 412358716 /nfs/dbraw/zinc/35/87/16/412358716.db2.gz IGUREYZNJHOSFW-ZCFIWIBFSA-N 0 3 230.218 0.593 20 0 BCADHN Cc1cc2nccc(NC(=O)C3(N)CC3)n2n1 ZINC000662990213 412363724 /nfs/dbraw/zinc/36/37/24/412363724.db2.gz QCZUESPNBDWTKS-UHFFFAOYSA-N 0 3 231.259 0.468 20 0 BCADHN Cc1cc2nccc(NC(=O)[C@@H](N)C(C)C)n2n1 ZINC000662990273 412363973 /nfs/dbraw/zinc/36/39/73/412363973.db2.gz RWSPRAWJBYHIHS-NSHDSACASA-N 0 3 247.302 0.960 20 0 BCADHN Cc1[nH]nc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1C ZINC000662748237 412290074 /nfs/dbraw/zinc/29/00/74/412290074.db2.gz NGAFKWIXCUMYCV-RKDXNWHRSA-N 0 3 240.282 0.538 20 0 BCADHN N[C@@H]1CN(C(=O)c2ccc[nH]2)CC[C@H]1F ZINC000662750694 412290955 /nfs/dbraw/zinc/29/09/55/412290955.db2.gz YKOWLQTUUOLEDF-HTQZYQBOSA-N 0 3 211.240 0.526 20 0 BCADHN CC(C)[C@@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)N(C)C ZINC000662748645 412291918 /nfs/dbraw/zinc/29/19/18/412291918.db2.gz XZXRRCFBUFNUDF-MXWKQRLJSA-N 0 3 245.342 0.470 20 0 BCADHN CNCC(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000662760808 412292801 /nfs/dbraw/zinc/29/28/01/412292801.db2.gz MDRUKTJFHCPOBB-UHFFFAOYSA-N 0 3 236.319 0.540 20 0 BCADHN CNCC(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000662762406 412294133 /nfs/dbraw/zinc/29/41/33/412294133.db2.gz VTBDRYYJRWNNHJ-KOLCDFICSA-N 0 3 226.320 0.622 20 0 BCADHN CN[C@@H](CC(C)(C)C)C(=O)Nc1ccn(C)n1 ZINC000387536061 412297768 /nfs/dbraw/zinc/29/77/68/412297768.db2.gz LDQJMSKHXNPPQK-VIFPVBQESA-N 0 3 238.335 1.383 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccnn1CC ZINC000663000320 412365966 /nfs/dbraw/zinc/36/59/66/412365966.db2.gz GIXLJTSNMCWMCN-KOLCDFICSA-N 0 3 238.335 0.893 20 0 BCADHN CCn1nccc1CNC(=O)C1(N)CCCC1 ZINC000662999748 412366004 /nfs/dbraw/zinc/36/60/04/412366004.db2.gz CFWJCPWRDHCQMJ-UHFFFAOYSA-N 0 3 236.319 0.791 20 0 BCADHN CC[C@H](NC)C(=O)N1CC[C@H](C)C[C@@H]1C(N)=O ZINC000662792334 412303677 /nfs/dbraw/zinc/30/36/77/412303677.db2.gz NBVDUNPTPKILGX-LPEHRKFASA-N 0 3 241.335 0.097 20 0 BCADHN Cc1ncoc1C(=O)N1CCNCC1(C)C ZINC000132818386 412305015 /nfs/dbraw/zinc/30/50/15/412305015.db2.gz ZBNVFXSFSDKHBW-UHFFFAOYSA-N 0 3 223.276 0.807 20 0 BCADHN CNCC(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000663008752 412369020 /nfs/dbraw/zinc/36/90/20/412369020.db2.gz NZMXKWKDQLTOGV-VIFPVBQESA-N 0 3 222.235 0.088 20 0 BCADHN C[C@H](N)C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000663010575 412370066 /nfs/dbraw/zinc/37/00/66/412370066.db2.gz UETZBABDMPCGCY-IMTBSYHQSA-N 0 3 222.235 0.216 20 0 BCADHN CC12CC(C1)CN2C(=O)C[C@@H]1CNCCO1 ZINC000663016374 412371888 /nfs/dbraw/zinc/37/18/88/412371888.db2.gz BVTLWTCKNGKVDO-SQLBVSGCSA-N 0 3 224.304 0.376 20 0 BCADHN CC12CC(C1)CN2C(=O)C[C@H]1CNCCO1 ZINC000663016375 412371895 /nfs/dbraw/zinc/37/18/95/412371895.db2.gz BVTLWTCKNGKVDO-YZRBJQDESA-N 0 3 224.304 0.376 20 0 BCADHN CNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000663237673 412398088 /nfs/dbraw/zinc/39/80/88/412398088.db2.gz MPLWHWDDBVYERU-JTQLQIEISA-N 0 3 227.308 0.169 20 0 BCADHN N[C@@H]1CN(c2ncnc3nc[nH]c32)CC[C@H]1F ZINC000663276399 412406321 /nfs/dbraw/zinc/40/63/21/412406321.db2.gz VXUNHOTWSKOTGP-RNFRBKRXSA-N 0 3 236.254 0.228 20 0 BCADHN CCc1csc(CC(=O)NCCN(C)C)n1 ZINC000279253392 171930866 /nfs/dbraw/zinc/93/08/66/171930866.db2.gz SCXLBHPYOAQXDB-UHFFFAOYSA-N 0 3 241.360 0.926 20 0 BCADHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(N)=O)CC2 ZINC000330655024 172015460 /nfs/dbraw/zinc/01/54/60/172015460.db2.gz MIRQXKFKNOMKRY-JGVFFNPUSA-N 0 3 237.307 0.669 20 0 BCADHN CCc1nn(C)cc1C(=O)NC[C@H](C)N(C)C ZINC000355955346 172040391 /nfs/dbraw/zinc/04/03/91/172040391.db2.gz IZQURGUNQMOAME-VIFPVBQESA-N 0 3 238.335 0.662 20 0 BCADHN CCc1nnc(NC(=O)[C@H](CN)OC)s1 ZINC000227414849 172058987 /nfs/dbraw/zinc/05/89/87/172058987.db2.gz WNCCXQSZVMWLNS-YFKPBYRVSA-N 0 3 230.293 0.013 20 0 BCADHN CCc1nnsc1C(=O)NCCN(C)C ZINC000052893557 172070160 /nfs/dbraw/zinc/07/01/60/172070160.db2.gz SKKCHUFITUKROX-UHFFFAOYSA-N 0 3 228.321 0.392 20 0 BCADHN CCc1noc(CC)c1CNC(=O)CNC ZINC000237081666 172084110 /nfs/dbraw/zinc/08/41/10/172084110.db2.gz FXCCVXSMOCXRHZ-UHFFFAOYSA-N 0 3 225.292 0.635 20 0 BCADHN CCc1ocnc1C(=O)NCCN(C)C ZINC000265837959 172122495 /nfs/dbraw/zinc/12/24/95/172122495.db2.gz NNCXYDLJLVBIKY-UHFFFAOYSA-N 0 3 211.265 0.528 20 0 BCADHN CCn1cc(C(=O)NC[C@@H]2CCN(C)C2)cn1 ZINC000072566959 172154517 /nfs/dbraw/zinc/15/45/17/172154517.db2.gz JWIFOPFHRCHKDI-JTQLQIEISA-N 0 3 236.319 0.585 20 0 BCADHN CCn1cc(C(=O)NC[C@H]2CCN(C)C2)cn1 ZINC000072566961 172155089 /nfs/dbraw/zinc/15/50/89/172155089.db2.gz JWIFOPFHRCHKDI-SNVBAGLBSA-N 0 3 236.319 0.585 20 0 BCADHN CCn1cc(CN2CC[C@@H](CO)C2)cn1 ZINC000051887615 172166229 /nfs/dbraw/zinc/16/62/29/172166229.db2.gz MNSGBEWRXPCJST-SNVBAGLBSA-N 0 3 209.293 0.717 20 0 BCADHN CCn1cc(CNCCC(=O)N(C)C)cn1 ZINC000050539789 172170166 /nfs/dbraw/zinc/17/01/66/172170166.db2.gz LEXMIINZPHSATG-UHFFFAOYSA-N 0 3 224.308 0.471 20 0 BCADHN CCn1cc(CN[C@@H](C)CC(=O)NC)cn1 ZINC000129685035 172172586 /nfs/dbraw/zinc/17/25/86/172172586.db2.gz PXZLHOPNZDHJCG-VIFPVBQESA-N 0 3 224.308 0.517 20 0 BCADHN CCn1cc(CN[C@H](C)CC(=O)NC)cn1 ZINC000129685235 172174049 /nfs/dbraw/zinc/17/40/49/172174049.db2.gz PXZLHOPNZDHJCG-SECBINFHSA-N 0 3 224.308 0.517 20 0 BCADHN CCn1cc([C@@H](C)NC[C@H]2COCCO2)cn1 ZINC000044499926 172193286 /nfs/dbraw/zinc/19/32/86/172193286.db2.gz RTQQTNYFHWHASK-PWSUYJOCSA-N 0 3 239.319 0.969 20 0 BCADHN CCn1cc([C@@H](C)N[C@@H](CO)CCOC)cn1 ZINC000281648390 172195024 /nfs/dbraw/zinc/19/50/24/172195024.db2.gz PMJGYNLCXAPCBS-ZYHUDNBSSA-N 0 3 241.335 0.951 20 0 BCADHN CCn1cc([C@@H](C)N[C@H]2CCC(=O)NC2)cn1 ZINC000104343476 172195032 /nfs/dbraw/zinc/19/50/32/172195032.db2.gz PYSNNSDWPLBPIY-KOLCDFICSA-N 0 3 236.319 0.832 20 0 BCADHN CCn1ccnc1C(=O)NCC1=CCN(C)CC1 ZINC000291673906 172215249 /nfs/dbraw/zinc/21/52/49/172215249.db2.gz MBHVTHWGWNUOGT-UHFFFAOYSA-N 0 3 248.330 0.895 20 0 BCADHN CCn1cnc2c(c1=O)CCN(CCCF)C2 ZINC000280921942 172232311 /nfs/dbraw/zinc/23/23/11/172232311.db2.gz GJOWDAAUXQWQHF-UHFFFAOYSA-N 0 3 239.294 0.981 20 0 BCADHN CCn1nc2c(cc1=O)CN(C[C@H](C)O)CC2 ZINC000369390188 172251718 /nfs/dbraw/zinc/25/17/18/172251718.db2.gz XMMHRWGVLKVVRK-VIFPVBQESA-N 0 3 237.303 0.002 20 0 BCADHN CCn1nccc1CCN(C)C1CC(O)C1 ZINC000338564565 172259857 /nfs/dbraw/zinc/25/98/57/172259857.db2.gz AFQQKMGZSXFDKE-UHFFFAOYSA-N 0 3 223.320 0.901 20 0 BCADHN CCn1nccc1CCN1CC[C@@](C)(O)C1 ZINC000284312730 172261434 /nfs/dbraw/zinc/26/14/34/172261434.db2.gz HIOYHKMZRGTANO-GFCCVEGCSA-N 0 3 223.320 0.902 20 0 BCADHN CCn1nccc1CCN1C[C@H](O)C2(CC2)C1 ZINC000374855151 172262302 /nfs/dbraw/zinc/26/23/02/172262302.db2.gz YXOJDJXWNDDJSZ-LBPRGKRZSA-N 0 3 235.331 0.902 20 0 BCADHN CCn1nccc1CCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366446009 172262503 /nfs/dbraw/zinc/26/25/03/172262503.db2.gz WWVOLUIDGIXINE-ITGUQSILSA-N 0 3 235.331 0.616 20 0 BCADHN CCn1nccc1CNCC(C)(C)C(=O)NC ZINC000119828352 172269519 /nfs/dbraw/zinc/26/95/19/172269519.db2.gz PAGLYRJPPOWLKH-UHFFFAOYSA-N 0 3 238.335 0.765 20 0 BCADHN CCn1nccc1CNCCCc1cnn(C)n1 ZINC000292965098 172270494 /nfs/dbraw/zinc/27/04/94/172270494.db2.gz LTZDHPGOWSDROO-UHFFFAOYSA-N 0 3 248.334 0.754 20 0 BCADHN CCn1nccc1CNCCOCCO ZINC000096033647 172270578 /nfs/dbraw/zinc/27/05/78/172270578.db2.gz NTVBJXFFTAMNIO-UHFFFAOYSA-N 0 3 213.281 0.002 20 0 BCADHN CCn1nccc1CNCCn1ccnc1 ZINC000159888241 172271199 /nfs/dbraw/zinc/27/11/99/172271199.db2.gz RRAULPUGODMOBZ-UHFFFAOYSA-N 0 3 219.292 0.889 20 0 BCADHN CCn1nccc1CNCCN1CCC1 ZINC000336766873 172271582 /nfs/dbraw/zinc/27/15/82/172271582.db2.gz RZLHNOSRZNBBQU-UHFFFAOYSA-N 0 3 208.309 0.698 20 0 BCADHN CCn1nccc1CN[C@@H]1CCN(C)C1 ZINC000096033652 172272299 /nfs/dbraw/zinc/27/22/99/172272299.db2.gz CPTOWKZYNWRQFY-SNVBAGLBSA-N 0 3 208.309 0.697 20 0 BCADHN CCn1nccc1CN[C@@H](CO)CCOC ZINC000282424574 172272906 /nfs/dbraw/zinc/27/29/06/172272906.db2.gz ZVLBPGLRBYIKJY-SNVBAGLBSA-N 0 3 227.308 0.390 20 0 BCADHN CCn1ncnc1CN[C@@H]1CCOC[C@@H]1C ZINC000300835095 172281853 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224.308 0.595 20 0 BCADHN CNC(=O)C[C@H](C)N[C@H]1CCC[C@@H]1F ZINC000340527224 173282970 /nfs/dbraw/zinc/28/29/70/173282970.db2.gz RLLAAGHPRWNIOK-CIUDSAMLSA-N 0 3 202.273 0.991 20 0 BCADHN CNC(=O)C[C@H](NC[C@H](C)O)c1ccccc1 ZINC000337248223 173283193 /nfs/dbraw/zinc/28/31/93/173283193.db2.gz PKEISUHSEWBTII-JQWIXIFHSA-N 0 3 236.315 0.834 20 0 BCADHN CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000361856167 173284757 /nfs/dbraw/zinc/28/47/57/173284757.db2.gz WBTYCNYSOSSVEQ-JTQLQIEISA-N 0 3 229.324 0.368 20 0 BCADHN CNC(=O)NC(=O)CN(C)CC(C)C ZINC000049442709 173286383 /nfs/dbraw/zinc/28/63/83/173286383.db2.gz IQXRUXGCUIQCLE-UHFFFAOYSA-N 0 3 201.270 0.030 20 0 BCADHN CNC(=O)NC(=O)CN1[C@H](C)CCC[C@H]1C ZINC000104078465 173287140 /nfs/dbraw/zinc/28/71/40/173287140.db2.gz LJIHWXRCYMBKOT-RKDXNWHRSA-N 0 3 227.308 0.705 20 0 BCADHN CNC(=O)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000123366277 173287439 /nfs/dbraw/zinc/28/74/39/173287439.db2.gz GQSXUNYFSACAPL-HTQZYQBOSA-N 0 3 213.281 0.315 20 0 BCADHN 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ZINC000339334835 173299371 /nfs/dbraw/zinc/29/93/71/173299371.db2.gz OEIFECYBPAFBRE-MNOVXSKESA-N 0 3 237.303 0.987 20 0 BCADHN CNC(=O)[C@@]1(C)CCN(Cc2ccno2)C1 ZINC000281090242 173300719 /nfs/dbraw/zinc/30/07/19/173300719.db2.gz LWWCOYJFDSTDPS-NSHDSACASA-N 0 3 223.276 0.633 20 0 BCADHN CNC(=O)[C@H](C)CN(C)Cc1ccccn1 ZINC000176357746 173301560 /nfs/dbraw/zinc/30/15/60/173301560.db2.gz XPFCENHRAXSVAT-SNVBAGLBSA-N 0 3 221.304 0.896 20 0 BCADHN CNC(=O)[C@H](C)N[C@@H](C)C(C)(C)OC ZINC000300803796 173302903 /nfs/dbraw/zinc/30/29/03/173302903.db2.gz ARWSXBVEOMUHDX-YUMQZZPRSA-N 0 3 202.298 0.524 20 0 BCADHN CNC(=O)[C@H](NC[C@H](O)C(C)(C)C)C(C)C ZINC000309973922 173305144 /nfs/dbraw/zinc/30/51/44/173305144.db2.gz RHTKGJYDMSZHCI-VHSXEESVSA-N 0 3 230.352 0.754 20 0 BCADHN CNC(=O)[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000111263753 173306543 /nfs/dbraw/zinc/30/65/43/173306543.db2.gz QODJFZZFZPOKML-NSHDSACASA-N 0 3 236.319 0.378 20 0 BCADHN CNC(=O)[C@H]1CCCN(Cc2ccn(C)c2)C1 ZINC000093360759 173306568 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CO[C@@H]1C[C@H](NC(=O)C2(N)CCC2)C1(C)C ZINC000234784488 174778966 /nfs/dbraw/zinc/77/89/66/174778966.db2.gz UBYRZLTURLQGIN-DTWKUNHWSA-N 0 3 226.320 0.798 20 0 BCADHN CO[C@H](CN)C(=O)N1CCCC(C)(C)CC1 ZINC000227387584 174857569 /nfs/dbraw/zinc/85/75/69/174857569.db2.gz WFYIBUDMMMGWFD-SNVBAGLBSA-N 0 3 228.336 0.999 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@@H](CCO)CC(C)C ZINC000353007872 174858535 /nfs/dbraw/zinc/85/85/35/174858535.db2.gz ZEPBAZLLKABZBK-WDEREUQCSA-N 0 3 246.351 0.121 20 0 BCADHN CO[C@H](CNC(=O)C(N)C(F)(F)F)C(C)C ZINC000353032373 174865373 /nfs/dbraw/zinc/86/53/73/174865373.db2.gz WCAWJFRMSTVVOU-RQJHMYQMSA-N 0 3 242.241 0.663 20 0 BCADHN COc1cc(NCCN2CCCC2)ncn1 ZINC000085485077 175002621 /nfs/dbraw/zinc/00/26/21/175002621.db2.gz GMONXXDANUVVOR-UHFFFAOYSA-N 0 3 222.292 0.993 20 0 BCADHN COc1cc(N[C@@H](C)CN(C)C)ncn1 ZINC000130631069 175003773 /nfs/dbraw/zinc/00/37/73/175003773.db2.gz CPLPRJQPHMQQIM-QMMMGPOBSA-N 0 3 210.281 0.847 20 0 BCADHN COc1ccc(C(=O)N(C)CCN(C)C)nc1 ZINC000360335085 175054428 /nfs/dbraw/zinc/05/44/28/175054428.db2.gz QDPWCFOJFQGWFJ-UHFFFAOYSA-N 0 3 237.303 0.724 20 0 BCADHN COc1ccc(C(=O)NC[C@H]2CCN(C)C2)nc1 ZINC000360023604 175061143 /nfs/dbraw/zinc/06/11/43/175061143.db2.gz KAMBIGIHCAJJJV-SNVBAGLBSA-N 0 3 249.314 0.772 20 0 BCADHN COc1ccc(CN(C)C[C@@H]2CCOC2)nn1 ZINC000338317276 175095173 /nfs/dbraw/zinc/09/51/73/175095173.db2.gz PUMULNVNAHESKA-JTQLQIEISA-N 0 3 237.303 0.954 20 0 BCADHN COc1ccc(CN(C)[C@@H](C)CO)cn1 ZINC000131859257 175096165 /nfs/dbraw/zinc/09/61/65/175096165.db2.gz PRUNMTRHRBKYDR-VIFPVBQESA-N 0 3 210.277 0.903 20 0 BCADHN COc1ccc(CNC(=O)CN)cc1OC ZINC000011957033 175104372 /nfs/dbraw/zinc/10/43/72/175104372.db2.gz VOYPUGNLBLBOHG-UHFFFAOYSA-N 0 3 224.260 0.279 20 0 BCADHN COc1ccc(CNC(CO)CO)cc1 ZINC000083692937 175105168 /nfs/dbraw/zinc/10/51/68/175105168.db2.gz QOGUCSPCRUKLSS-UHFFFAOYSA-N 0 3 211.261 0.138 20 0 BCADHN COc1ccc(CNC2(CC(N)=O)CCC2)cn1 ZINC000354932657 175105874 /nfs/dbraw/zinc/10/58/74/175105874.db2.gz SIHXDDPKZIJVIF-UHFFFAOYSA-N 0 3 249.314 0.978 20 0 BCADHN COc1ccc(CNC[C@@H](O)CO)cc1Cl ZINC000085247569 175107337 /nfs/dbraw/zinc/10/73/37/175107337.db2.gz BBPVZMLFMMONLB-SECBINFHSA-N 0 3 245.706 0.791 20 0 BCADHN COc1ccc(CN[C@@H](C)[C@@H]2CCOC2)nn1 ZINC000283324958 175109381 /nfs/dbraw/zinc/10/93/81/175109381.db2.gz ZVUCGDNWEJJATF-VHSXEESVSA-N 0 3 237.303 1.000 20 0 BCADHN COc1ccc(CN[C@@H]2CCN(C(C)=O)C2)cn1 ZINC000331213678 175109767 /nfs/dbraw/zinc/10/97/67/175109767.db2.gz AKHVEEKIKJEMLH-GFCCVEGCSA-N 0 3 249.314 0.801 20 0 BCADHN COc1ccc(CN[C@H](CO)C(C)(C)C)nn1 ZINC000282463053 175110882 /nfs/dbraw/zinc/11/08/82/175110882.db2.gz JYNFHRYLAVMAME-SNVBAGLBSA-N 0 3 239.319 0.982 20 0 BCADHN COc1ccc([C@@H]2CCN(C(=O)CN)C2)cc1 ZINC000077368799 175183007 /nfs/dbraw/zinc/18/30/07/175183007.db2.gz RHMOTVUMUQYFFA-LLVKDONJSA-N 0 3 234.299 0.970 20 0 BCADHN COc1cccc(C(=O)N(C)CC[NH3+])c1[O-] ZINC000041055230 175242412 /nfs/dbraw/zinc/24/24/12/175242412.db2.gz VUEANIUYNKYKJE-UHFFFAOYSA-N 0 3 224.260 0.432 20 0 BCADHN COc1cccc(CN(CCO)C[C@H](C)O)c1 ZINC000289921310 175256385 /nfs/dbraw/zinc/25/63/85/175256385.db2.gz UHMSFADIAWIGJC-NSHDSACASA-N 0 3 239.315 0.870 20 0 BCADHN COc1cccc(CN2CC[C@@H](CC(N)=O)C2)n1 ZINC000367988680 175259475 /nfs/dbraw/zinc/25/94/75/175259475.db2.gz MANAHVLEQNGEDD-JTQLQIEISA-N 0 3 249.314 0.788 20 0 BCADHN COc1cccc(CN2CC[C@](C)(C(N)=O)C2)n1 ZINC000280353570 175260553 /nfs/dbraw/zinc/26/05/53/175260553.db2.gz TVGPCUPWCCZASZ-ZDUSSCGKSA-N 0 3 249.314 0.788 20 0 BCADHN COc1cccc(CNCCc2n[nH]c(C)n2)n1 ZINC000276662837 175264048 /nfs/dbraw/zinc/26/40/48/175264048.db2.gz WQJPYWVPDZTFMZ-UHFFFAOYSA-N 0 3 247.302 0.849 20 0 BCADHN COc1cccc(CNCCc2nc(C)n[nH]2)n1 ZINC000276662837 175264049 /nfs/dbraw/zinc/26/40/49/175264049.db2.gz WQJPYWVPDZTFMZ-UHFFFAOYSA-N 0 3 247.302 0.849 20 0 BCADHN COc1cccc(C[C@H](C)NC2(C(N)=O)CC2)n1 ZINC000361587347 175271806 /nfs/dbraw/zinc/27/18/06/175271806.db2.gz OUTPGBYEOAYMTR-VIFPVBQESA-N 0 3 249.314 0.629 20 0 BCADHN COc1ccccc1CN1C[C@H](O)C[C@H]1CO ZINC000370400038 175328553 /nfs/dbraw/zinc/32/85/53/175328553.db2.gz WUFPCGBWDMCTGT-NWDGAFQWSA-N 0 3 237.299 0.623 20 0 BCADHN COc1ccccc1OCCN(C)C(=O)CN ZINC000041280189 175340412 /nfs/dbraw/zinc/34/04/12/175340412.db2.gz AOVYLXLSOXNQQI-UHFFFAOYSA-N 0 3 238.287 0.491 20 0 BCADHN COc1ccnc(CN2CC[C@@H](CC(N)=O)C2)c1 ZINC000367989203 175357648 /nfs/dbraw/zinc/35/76/48/175357648.db2.gz PBTLYOBCHREUHL-JTQLQIEISA-N 0 3 249.314 0.788 20 0 BCADHN COc1ccnc(N(C)CCN(C)C)n1 ZINC000266983070 175361608 /nfs/dbraw/zinc/36/16/08/175361608.db2.gz ACSXOKSISHPCCW-UHFFFAOYSA-N 0 3 210.281 0.483 20 0 BCADHN COc1ccncc1CNC(=O)/C=C/CN(C)C ZINC000294728478 175370598 /nfs/dbraw/zinc/37/05/98/175370598.db2.gz XFSSQUYTDYESJW-SNAWJCMRSA-N 0 3 249.314 0.824 20 0 BCADHN COc1ccncc1NC(=O)[C@H](CN)OC ZINC000353423827 175374652 /nfs/dbraw/zinc/37/46/52/175374652.db2.gz DQPDPSVNETYSRE-VIFPVBQESA-N 0 3 225.248 0.002 20 0 BCADHN C[C@@H](C1CC1)N(C)C(=O)COC1(C)CNC1 ZINC000165832203 487630574 /nfs/dbraw/zinc/63/05/74/487630574.db2.gz ZDAONLZYENMGJL-VIFPVBQESA-N 0 3 226.320 0.622 20 0 BCADHN CSCC[C@@H](N)C(=O)NC[C@]1(C)CCOC1 ZINC000353664245 175503364 /nfs/dbraw/zinc/50/33/64/175503364.db2.gz ODIARQOKNMFXHH-KOLCDFICSA-N 0 3 246.376 0.610 20 0 BCADHN CS[C@H](CO)[C@@H](C)NCc1cnc(C)nc1 ZINC000336670165 175565508 /nfs/dbraw/zinc/56/55/08/175565508.db2.gz GRCYQCHJNKPCQM-LDYMZIIASA-N 0 3 241.360 0.987 20 0 BCADHN C[C@@H](SCCN(C)C)C(=O)N(C)C ZINC000120189802 176008320 /nfs/dbraw/zinc/00/83/20/176008320.db2.gz PPZXQOFRZXXTKY-MRVPVSSYSA-N 0 3 204.339 0.758 20 0 BCADHN C[C@@H]1CC(=O)NCCN1CCCCF ZINC000367553176 176049492 /nfs/dbraw/zinc/04/94/92/176049492.db2.gz LRPBCKCSXZYAOD-SECBINFHSA-N 0 3 202.273 0.947 20 0 BCADHN C[C@@H](CNC(=O)C1(N(C)C)CC1)N1CCCC1 ZINC000668297494 487632936 /nfs/dbraw/zinc/63/29/36/487632936.db2.gz SWRRUVBOOPIZKS-NSHDSACASA-N 0 3 239.363 0.681 20 0 BCADHN C[C@@H]1CCCN(C(=O)C2(N)CCOCC2)C1 ZINC000149630220 176090865 /nfs/dbraw/zinc/09/08/65/176090865.db2.gz 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BXFCKDCYKBZGJI-BDAKNGLRSA-N 0 3 227.308 0.692 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)[C@@H]1C ZINC000309542451 176161317 /nfs/dbraw/zinc/16/13/17/176161317.db2.gz YSNIRFXRMQPPGR-FXPVBKGRSA-N 0 3 214.284 0.945 20 0 BCADHN C[C@@H]1CCN(C)CCN1C(=O)N[C@H]1CCOC1 ZINC000337683343 176166906 /nfs/dbraw/zinc/16/69/06/176166906.db2.gz IYRHNHKDVZIBIG-MNOVXSKESA-N 0 3 241.335 0.511 20 0 BCADHN C[C@@H]1CCN(CCN2CCCC2=O)C[C@H]1O ZINC000305756275 176170188 /nfs/dbraw/zinc/17/01/88/176170188.db2.gz CJCJJRVDUJSVKL-GHMZBOCLSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@@H]1CCN(CCN2C(=O)CNC2=O)C[C@@H]1C ZINC000122479514 176171426 /nfs/dbraw/zinc/17/14/26/176171426.db2.gz OVHNAWJLTHWANS-ZJUUUORDSA-N 0 3 239.319 0.516 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NCC1=CCCOC1 ZINC000193674488 176184417 /nfs/dbraw/zinc/18/44/17/176184417.db2.gz RTVWIEHIKHGJPP-KOLCDFICSA-N 0 3 224.304 0.447 20 0 BCADHN C[C@@H]1CCNC(=O)[C@H]1NC[C@@H](O)c1ccccc1 ZINC000282308343 176184690 /nfs/dbraw/zinc/18/46/90/176184690.db2.gz 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/nfs/dbraw/zinc/26/94/02/176269402.db2.gz PJZKGPVCDGADAY-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1C(=O)NCC(=O)C(C)(C)C ZINC000362992790 176272174 /nfs/dbraw/zinc/27/21/74/176272174.db2.gz OKOGSIAMKMYGST-ZJUUUORDSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NC[C@@](C)(O)C(F)(F)F ZINC000309788853 176273275 /nfs/dbraw/zinc/27/32/75/176273275.db2.gz OSMHFLAJIZHMKI-HRDYMLBCSA-N 0 3 240.269 0.839 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1N[C@H](CO)CC(F)(F)F ZINC000309793434 176274459 /nfs/dbraw/zinc/27/44/59/176274459.db2.gz PQXTYIVGYYZOCP-VGMNWLOBSA-N 0 3 240.269 0.839 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1N[C@@H](CO)CC(F)(F)F ZINC000309793428 176274529 /nfs/dbraw/zinc/27/45/29/176274529.db2.gz PQXTYIVGYYZOCP-HLTSFMKQSA-N 0 3 240.269 0.839 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCc1ccn(C)n1 ZINC000335605706 176274696 /nfs/dbraw/zinc/27/46/96/176274696.db2.gz DDIOCOPDRCGGGC-KOLCDFICSA-N 0 3 208.309 0.460 20 0 BCADHN C[C@@H]1CN(C)C[C@@H]1NCc1cccc(C(N)=O)c1 ZINC000358078405 176275224 /nfs/dbraw/zinc/27/52/24/176275224.db2.gz BVJMOXXGGHVDBP-MFKMUULPSA-N 0 3 247.342 0.825 20 0 BCADHN C[C@@H]1CN(C)C[C@H]1NC[C@](C)(O)C(F)(F)F ZINC000309788851 176276900 /nfs/dbraw/zinc/27/69/00/176276900.db2.gz OSMHFLAJIZHMKI-HLTSFMKQSA-N 0 3 240.269 0.839 20 0 BCADHN C[C@@H]1CN(CCN2CCCC[C@H]2CO)CCO1 ZINC000337338193 176290551 /nfs/dbraw/zinc/29/05/51/176290551.db2.gz PTYUNLJELRASDQ-OLZOCXBDSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1C ZINC000336555763 176291348 /nfs/dbraw/zinc/29/13/48/176291348.db2.gz PMFYVACZGCTTPQ-PHIMTYICSA-N 0 3 246.376 0.610 20 0 BCADHN C[C@@H]1CN(CCc2ccncc2)C[C@@H]1O ZINC000351831887 176293531 /nfs/dbraw/zinc/29/35/31/176293531.db2.gz ULKPTULYQXRXLZ-PWSUYJOCSA-N 0 3 206.289 0.937 20 0 BCADHN C[C@@H]1CN(CCn2ccnc2)CCCO1 ZINC000179243109 176296425 /nfs/dbraw/zinc/29/64/25/176296425.db2.gz UVVLDYIAZVFIHE-LLVKDONJSA-N 0 3 209.293 0.994 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CN(C)C2CC2)CCS1 ZINC000309365171 176296674 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176314136 /nfs/dbraw/zinc/31/41/36/176314136.db2.gz IRBAXFPYDRTIJT-UTLUCORTSA-N 0 3 226.320 0.214 20 0 BCADHN C[C@@H]1CN(CCN2CCOC[C@@H](C)C2)CCO1 ZINC000337326358 176332302 /nfs/dbraw/zinc/33/23/02/176332302.db2.gz VZIBWUVZMUZHSR-QWHCGFSZSA-N 0 3 242.363 0.675 20 0 BCADHN C[C@@H]1COCCN(CCN2CCCC2=O)C1 ZINC000336555801 176333037 /nfs/dbraw/zinc/33/30/37/176333037.db2.gz YOCRBCUIZYMDPT-NSHDSACASA-N 0 3 226.320 0.577 20 0 BCADHN C[C@@H]1COCCN1C[C@H](O)CN(C)C1CC1 ZINC000309481104 176337341 /nfs/dbraw/zinc/33/73/41/176337341.db2.gz VXQYSNSIBDNXRU-ZYHUDNBSSA-N 0 3 228.336 0.162 20 0 BCADHN C[C@@H]1CSC[C@H]1N[C@H]1CCC(=O)N(C)C1=O ZINC000304536876 176355828 /nfs/dbraw/zinc/35/58/28/176355828.db2.gz RRQXKCBJCLQINI-HRDYMLBCSA-N 0 3 242.344 0.475 20 0 BCADHN C[C@@H]1CSC[C@H]1N[C@H]1CCN(C)C1=O ZINC000307545925 176356066 /nfs/dbraw/zinc/35/60/66/176356066.db2.gz KZSOQTKLNCZQDJ-HRDYMLBCSA-N 0 3 214.334 0.558 20 0 BCADHN C[C@@H]1C[C@@H](C)N(CC(=O)N2CCOCC2)C1 ZINC000336355299 176362754 /nfs/dbraw/zinc/36/27/54/176362754.db2.gz RQFDFSTZNWXKPJ-GHMZBOCLSA-N 0 3 226.320 0.576 20 0 BCADHN C[C@@H]1C[C@@H](CN(C)[C@@H]2CCN(C)C2=O)CCO1 ZINC000352667804 176368062 /nfs/dbraw/zinc/36/80/62/176368062.db2.gz NKCWLMGXDVOLKC-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1C[C@@H](N2CCCC2)CN1[C@@H]1CCNC1=O ZINC000352792960 176372839 /nfs/dbraw/zinc/37/28/39/176372839.db2.gz OCQQSEMQYCPYFL-IJLUTSLNSA-N 0 3 237.347 0.434 20 0 BCADHN C[C@@H]1C[C@@H](Nc2nccn(C)c2=O)CN1C1CC1 ZINC000267909680 176380679 /nfs/dbraw/zinc/38/06/79/176380679.db2.gz ZDQJOGNSEGETLZ-NXEZZACHSA-N 0 3 248.330 0.817 20 0 BCADHN CCN1C[C@H](C)[C@H](NC(=O)NC[C@H](C)CO)C1 ZINC000674849518 487633858 /nfs/dbraw/zinc/63/38/58/487633858.db2.gz NYVFFFAKGCRARW-GARJFASQSA-N 0 3 243.351 0.254 20 0 BCADHN C[C@@H]1NCCN(C(=O)/C=C/c2cnccn2)[C@H]1C ZINC000277445404 176459967 /nfs/dbraw/zinc/45/99/67/176459967.db2.gz FNMXDDHAIMPSOU-SEUFLZDSSA-N 0 3 246.314 0.699 20 0 BCADHN C[C@@H]1OCC[C@]1(O)CNCc1cnn(C)c1 ZINC000227981800 176482742 /nfs/dbraw/zinc/48/27/42/176482742.db2.gz FTXWHMJWAQRLRF-ONGXEEELSA-N 0 3 225.292 0.050 20 0 BCADHN C[C@@]1(CN)CCN(c2nccn(C3CC3)c2=O)C1 ZINC000235418392 176530370 /nfs/dbraw/zinc/53/03/70/176530370.db2.gz LHNUBMIMTPWWKN-ZDUSSCGKSA-N 0 3 248.330 0.753 20 0 BCADHN CCN1C[C@H](NC(=O)NC[C@H](C)CO)[C@@H](C)C1 ZINC000674849517 487634492 /nfs/dbraw/zinc/63/44/92/487634492.db2.gz NYVFFFAKGCRARW-DCAQKATOSA-N 0 3 243.351 0.254 20 0 BCADHN C[C@H](CN(C)C)NC(=O)C[C@@H]1CCCC[C@@H]1O ZINC000346141253 176650678 /nfs/dbraw/zinc/65/06/78/176650678.db2.gz QNZNEFIYOHBWCB-WOPDTQHZSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](CNC(=O)CCOCC(F)F)N(C)C ZINC000338747996 176672928 /nfs/dbraw/zinc/67/29/28/176672928.db2.gz AFCLLNHYYABAFO-MRVPVSSYSA-N 0 3 238.278 0.725 20 0 BCADHN C[C@H](CNC(=O)c1ccc(C=O)[nH]1)N(C)C ZINC000267344066 176676698 /nfs/dbraw/zinc/67/66/98/176676698.db2.gz IGRQZOVOKKWLKF-MRVPVSSYSA-N 0 3 223.276 0.507 20 0 BCADHN C[C@H](N)C(=O)NCCOc1cccc(F)c1 ZINC000041246990 176749513 /nfs/dbraw/zinc/74/95/13/176749513.db2.gz CDOMKBNSUXPZBQ-QMMMGPOBSA-N 0 3 226.251 0.668 20 0 BCADHN C[C@H](N)C(=O)NCc1cccc(N(C)C)c1 ZINC000083914722 176751092 /nfs/dbraw/zinc/75/10/92/176751092.db2.gz QOWGHVRVDTVKBO-VIFPVBQESA-N 0 3 221.304 0.716 20 0 BCADHN C[C@H](NCCCS(C)(=O)=O)c1cn[nH]c1 ZINC000336694936 176845378 /nfs/dbraw/zinc/84/53/78/176845378.db2.gz NTPKVTUTKJCTHO-QMMMGPOBSA-N 0 3 231.321 0.495 20 0 BCADHN CCCN(CCN(C)C)C(=O)[C@H](O)C1CC1 ZINC000668300681 487635845 /nfs/dbraw/zinc/63/58/45/487635845.db2.gz SOFXUFBJWZKZDL-LLVKDONJSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@H](O)[C@@H]1CCCCN1CC(=O)N(C)C1CC1 ZINC000303975581 177008127 /nfs/dbraw/zinc/00/81/27/177008127.db2.gz BOZFYGNHWYSTPS-JQWIXIFHSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@H]1CC(=O)NCCN1CCCCCO ZINC000363460385 177062293 /nfs/dbraw/zinc/06/22/93/177062293.db2.gz CBTFCYOLBMWOCV-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN C[C@H]1CC(=O)NCCN1C[C@H]1CCC=CO1 ZINC000377882395 177063033 /nfs/dbraw/zinc/06/30/33/177063033.db2.gz FDDDJLOHYNYABM-WDEREUQCSA-N 0 3 224.304 0.890 20 0 BCADHN C[C@H]1CC(=O)NCCN1C[C@H]1CCCCO1 ZINC000371196919 177063189 /nfs/dbraw/zinc/06/31/89/177063189.db2.gz GQOSSTJRWNRQDL-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H]1CCCC[C@@H]1CNC(=O)C(=O)NCCN ZINC000042829078 177079824 /nfs/dbraw/zinc/07/98/24/177079824.db2.gz CICHEHKAPHFTMU-VHSXEESVSA-N 0 3 241.335 0.004 20 0 BCADHN C[C@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000019976699 177092051 /nfs/dbraw/zinc/09/20/51/177092051.db2.gz XKVPUHNSIIEBLR-NSHDSACASA-N 0 3 225.336 0.150 20 0 BCADHN C[C@H]1CCCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000091973021 177092774 /nfs/dbraw/zinc/09/27/74/177092774.db2.gz RBIIPKCXSWSYRM-QWRGUYRKSA-N 0 3 241.335 0.416 20 0 BCADHN C[C@H]1CCCN(CCN2C(=O)CCC2=O)C1 ZINC000123032177 177097950 /nfs/dbraw/zinc/09/79/50/177097950.db2.gz FREKQCOGXOOCDX-JTQLQIEISA-N 0 3 224.304 0.867 20 0 BCADHN C[C@H](CO)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000249503824 177098207 /nfs/dbraw/zinc/09/82/07/177098207.db2.gz DNSBICNHHRMWGF-WDEREUQCSA-N 0 3 243.351 0.398 20 0 BCADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CN(C)C ZINC000341411420 177117878 /nfs/dbraw/zinc/11/78/78/177117878.db2.gz HNZIYHKDIUXEBT-TXEJJXNPSA-N 0 3 241.379 0.927 20 0 BCADHN C[C@H]1CCC[C@@]1(O)CNCc1cnnn1C ZINC000328151118 177128395 /nfs/dbraw/zinc/12/83/95/177128395.db2.gz FGTODWNUVUSRKX-GXSJLCMTSA-N 0 3 224.308 0.456 20 0 BCADHN C[C@H]1CCC[C@H](C)N1C(=O)CN1CCNCC1 ZINC000020521282 177130448 /nfs/dbraw/zinc/13/04/48/177130448.db2.gz DRIXFYLGRCURFF-RYUDHWBXSA-N 0 3 239.363 0.681 20 0 BCADHN C[C@H]1CCC[C@H](CO)N1CCn1cncn1 ZINC000336703720 177134809 /nfs/dbraw/zinc/13/48/09/177134809.db2.gz OJRKTYUAYFPMFO-WDEREUQCSA-N 0 3 224.308 0.513 20 0 BCADHN C[C@H]1CCN(C(=O)N[C@H]2CCN(C)C2)C1 ZINC000336594316 177150587 /nfs/dbraw/zinc/15/05/87/177150587.db2.gz CDYQXKVZGIOVAH-UWVGGRQHSA-N 0 3 211.309 0.742 20 0 BCADHN C[C@H]1CCN(C(=O)N[C@@H]2CCN(C)C2)C1 ZINC000336594317 177150666 /nfs/dbraw/zinc/15/06/66/177150666.db2.gz CDYQXKVZGIOVAH-VHSXEESVSA-N 0 3 211.309 0.742 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)C1CCOCC1 ZINC000354005585 177157186 /nfs/dbraw/zinc/15/71/86/177157186.db2.gz RUMWTCNIUOTCOT-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H]1CCN(Cc2cnn(C)c2)[C@@H]1CO ZINC000189717797 177167301 /nfs/dbraw/zinc/16/73/01/177167301.db2.gz TWDDHYUFTOXHEK-GXSJLCMTSA-N 0 3 209.293 0.623 20 0 BCADHN C[C@H]1CCN(S(=O)(=O)[C@@H]2CCCNC2)C1 ZINC000049644382 177170304 /nfs/dbraw/zinc/17/03/04/177170304.db2.gz AIUUGGRYMKIVKW-VHSXEESVSA-N 0 3 232.349 0.410 20 0 BCADHN C[C@H]1CCNC(=O)[C@H]1NC[C@@H](O)c1ccccc1 ZINC000282308347 177173451 /nfs/dbraw/zinc/17/34/51/177173451.db2.gz KEQWATBCNPQLGS-UHTWSYAYSA-N 0 3 248.326 0.834 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)NCC2CCOCC2)C1 ZINC000127224557 177175367 /nfs/dbraw/zinc/17/53/67/177175367.db2.gz BEAVVSNNNFJXAF-JQWIXIFHSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCCO ZINC000331183502 177185737 /nfs/dbraw/zinc/18/57/37/177185737.db2.gz IDIDOCYYCYZPDK-AOOOYVTPSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@H](CCO)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000330480107 177185957 /nfs/dbraw/zinc/18/59/57/177185957.db2.gz MWGPGUPVJUVXLO-MXWKQRLJSA-N 0 3 228.336 0.746 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cccnn1 ZINC000331292713 177186194 /nfs/dbraw/zinc/18/61/94/177186194.db2.gz QDYBKLNOESBQHO-PHIMTYICSA-N 0 3 248.330 0.966 20 0 BCADHN C[C@@H]1CN(C(=O)CN2[C@H](C)CC[C@@H]2C)C[C@H]1O ZINC000352764381 177186224 /nfs/dbraw/zinc/18/62/24/177186224.db2.gz DQHYXJJJUSMHHC-WISYIIOYSA-N 0 3 240.347 0.698 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H]1CO ZINC000340331168 177186683 /nfs/dbraw/zinc/18/66/83/177186683.db2.gz YRAXZDRLALAWDZ-GRYCIOLGSA-N 0 3 240.347 0.843 20 0 BCADHN C[C@@H](C(=O)N(C)CCO)N1[C@H](C)CC[C@@H]1C ZINC000305716763 177187630 /nfs/dbraw/zinc/18/76/30/177187630.db2.gz HEZRHGVXZKDTGY-AXFHLTTASA-N 0 3 228.336 0.698 20 0 BCADHN C[C@H](C(=O)N(C)CC(N)=O)N1[C@H](C)CC[C@@H]1C ZINC000338003252 177187696 /nfs/dbraw/zinc/18/76/96/177187696.db2.gz HNJNHXVQGRIVBL-KXUCPTDWSA-N 0 3 241.335 0.191 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/nfs/dbraw/zinc/24/71/79/226247179.db2.gz APLSPZZJLILPOX-PYIHCCSZSA-N 0 3 226.320 0.476 20 0 BCADHN CN(C)C/C=C/C(=O)N1CCC[C@H]1CCO ZINC000493659375 226247250 /nfs/dbraw/zinc/24/72/50/226247250.db2.gz VCVBUXUJLFNSSU-MALLOTDXSA-N 0 3 226.320 0.478 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1C(=O)/C=C\CN(C)C ZINC000493640944 226247279 /nfs/dbraw/zinc/24/72/79/226247279.db2.gz APLSPZZJLILPOX-BHQLTRLXSA-N 0 3 226.320 0.476 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000493818329 226255526 /nfs/dbraw/zinc/25/55/26/226255526.db2.gz SMQRFLDNOXOQDC-VNBVAALRSA-N 0 3 212.293 0.134 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H]1COCC1(C)C ZINC000493824298 226255860 /nfs/dbraw/zinc/25/58/60/226255860.db2.gz ZIHSRQOQBYMICN-WWQCOOJYSA-N 0 3 226.320 0.645 20 0 BCADHN CN(C)C/C=C\C(=O)NCc1cccc(CO)n1 ZINC000493855864 226257469 /nfs/dbraw/zinc/25/74/69/226257469.db2.gz YUTVQEBTAMDEEY-DAXSKMNVSA-N 0 3 249.314 0.308 20 0 BCADHN COCCC[N@H+](C)CCCOC([O-])=NC(N)=O ZINC000494002678 226259668 /nfs/dbraw/zinc/25/96/68/226259668.db2.gz SPMLQGFFXVKUGW-UHFFFAOYSA-N 0 3 247.295 0.150 20 0 BCADHN COCCC[N@@H+](C)CCCOC([O-])=NC(N)=O ZINC000494002678 226259669 /nfs/dbraw/zinc/25/96/69/226259669.db2.gz SPMLQGFFXVKUGW-UHFFFAOYSA-N 0 3 247.295 0.150 20 0 BCADHN COCCC[N@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000494002678 226259670 /nfs/dbraw/zinc/25/96/70/226259670.db2.gz SPMLQGFFXVKUGW-UHFFFAOYSA-N 0 3 247.295 0.150 20 0 BCADHN COCCC[N@@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000494002678 226259671 /nfs/dbraw/zinc/25/96/71/226259671.db2.gz SPMLQGFFXVKUGW-UHFFFAOYSA-N 0 3 247.295 0.150 20 0 BCADHN C[C@H](O)CN1CCN(CC2CCC2)CC1 ZINC000494437178 226265054 /nfs/dbraw/zinc/26/50/54/226265054.db2.gz SLJXLUJUWYPYGV-NSHDSACASA-N 0 3 212.337 0.785 20 0 BCADHN Cn1cncc1CN[C@H]1CCn2ccnc2C1 ZINC000494425953 226265144 /nfs/dbraw/zinc/26/51/44/226265144.db2.gz NYKIKPMLJLQPIF-JTQLQIEISA-N 0 3 231.303 0.721 20 0 BCADHN COCCN(C)C(=O)[C@@H]1CCCN1C1CC1 ZINC000494796472 226269595 /nfs/dbraw/zinc/26/95/95/226269595.db2.gz BJRSOBXZPDLZKX-NSHDSACASA-N 0 3 226.320 0.718 20 0 BCADHN OCCCN(C/C=C/c1ccncc1)CCO ZINC000494976542 226273315 /nfs/dbraw/zinc/27/33/15/226273315.db2.gz QHHYYNBXQJEOQE-HNQUOIGGSA-N 0 3 236.315 0.772 20 0 BCADHN Cc1cc(CN[C@@H]2CCC(=O)NC2(C)C)ncn1 ZINC000495059519 226275483 /nfs/dbraw/zinc/27/54/83/226275483.db2.gz NMJMRUNKBAXIGL-LLVKDONJSA-N 0 3 248.330 0.932 20 0 BCADHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCO ZINC000496333701 226302035 /nfs/dbraw/zinc/30/20/35/226302035.db2.gz YRTBNPNFDKVJCQ-UWVGGRQHSA-N 0 3 244.335 0.966 20 0 BCADHN COC1CCN(C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000496472110 226305769 /nfs/dbraw/zinc/30/57/69/226305769.db2.gz RVNMRAKGNZPCMF-JTQLQIEISA-N 0 3 228.292 0.548 20 0 BCADHN CO[C@@]1(C)CCCN(C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496557822 226307182 /nfs/dbraw/zinc/30/71/82/226307182.db2.gz DLNPRLAWYIDGCM-JQWIXIFHSA-N 0 3 242.319 0.938 20 0 BCADHN COC[C@@H]1CCCN(C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496808903 226314647 /nfs/dbraw/zinc/31/46/47/226314647.db2.gz KOCZKNTVZJECOI-MNOVXSKESA-N 0 3 242.319 0.795 20 0 BCADHN CN(C)CCN(C)C(=O)OC1CCOCC1 ZINC000496947261 226318216 /nfs/dbraw/zinc/31/82/16/226318216.db2.gz TUAZFPVLZPPYRW-UHFFFAOYSA-N 0 3 230.308 0.795 20 0 BCADHN CO[C@H](CN1CCN(CCO)CC1)C1CC1 ZINC000400102164 226332569 /nfs/dbraw/zinc/33/25/69/226332569.db2.gz BBEUFWJSAFRVME-GFCCVEGCSA-N 0 3 228.336 0.021 20 0 BCADHN CO[C@@H](CN1C[C@@H](CO)OC(C)(C)C1)C1CC1 ZINC000400190471 226335423 /nfs/dbraw/zinc/33/54/23/226335423.db2.gz ULBYOBMRYRSNCN-RYUDHWBXSA-N 0 3 243.347 0.883 20 0 BCADHN CO[C@@H](CN1C[C@H](CO)OC(C)(C)C1)C1CC1 ZINC000400190467 226335431 /nfs/dbraw/zinc/33/54/31/226335431.db2.gz ULBYOBMRYRSNCN-NEPJUHHUSA-N 0 3 243.347 0.883 20 0 BCADHN CC[C@@H](CCO)CNC(=O)CNC(C)C ZINC000087370242 487649473 /nfs/dbraw/zinc/64/94/73/487649473.db2.gz SBPRIKDGKQQVCF-JTQLQIEISA-N 0 3 216.325 0.509 20 0 BCADHN CN(C)C(=O)OC[C@H]1CCCCN1CCO ZINC000495812779 226289775 /nfs/dbraw/zinc/28/97/75/226289775.db2.gz CCCMPZAFVYRZNC-SNVBAGLBSA-N 0 3 230.308 0.531 20 0 BCADHN CN(C)C(=O)O[C@@H]1CCN(C[C@@H]2CCOC2)C1 ZINC000496024177 226294955 /nfs/dbraw/zinc/29/49/55/226294955.db2.gz SUCRRLYQKLNNIT-WDEREUQCSA-N 0 3 242.319 0.795 20 0 BCADHN CN(C)C(=O)OC[C@H]1CCCCN1CCCO ZINC000496197118 226298899 /nfs/dbraw/zinc/29/88/99/226298899.db2.gz OQSYUGCDEYGSOM-LLVKDONJSA-N 0 3 244.335 0.922 20 0 BCADHN CCN1C[C@H](N[C@H]2CCCOC2)CC1=O ZINC000335594240 487651570 /nfs/dbraw/zinc/65/15/70/487651570.db2.gz WOHRWCZILOIIBA-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CCN1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000668330244 487652099 /nfs/dbraw/zinc/65/20/99/487652099.db2.gz NYLXRDPUVJSSCJ-WYUUTHIRSA-N 0 3 238.331 0.479 20 0 BCADHN CN1CC[C@@](O)(CNC(=O)[C@@H]2CC23CCC3)C1 ZINC000680827401 487652791 /nfs/dbraw/zinc/65/27/91/487652791.db2.gz DAGXYUMFWFHUGV-GXFFZTMASA-N 0 3 238.331 0.359 20 0 BCADHN CN1CC[C@](O)(CNC(=O)[C@@H]2CC23CCC3)C1 ZINC000680827400 487653171 /nfs/dbraw/zinc/65/31/71/487653171.db2.gz DAGXYUMFWFHUGV-GWCFXTLKSA-N 0 3 238.331 0.359 20 0 BCADHN CCn1ncnc1CNC[C@H]1CCCN1C ZINC000226042691 487654105 /nfs/dbraw/zinc/65/41/05/487654105.db2.gz SHDBKOSLFMMHKV-SNVBAGLBSA-N 0 3 223.324 0.482 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC[C@@H]1CCC(=O)N1 ZINC000087410089 487653698 /nfs/dbraw/zinc/65/36/98/487653698.db2.gz REASCZYCKMVZFU-SCZZXKLOSA-N 0 3 236.319 0.658 20 0 BCADHN C[C@@H](c1ccncc1)N1CC[C@@](O)(C(N)=O)C1 ZINC000671627665 487655801 /nfs/dbraw/zinc/65/58/01/487655801.db2.gz KRWOYELUPLSPKN-CABZTGNLSA-N 0 3 235.287 0.065 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)c1ncccc1N ZINC000226079801 487656376 /nfs/dbraw/zinc/65/63/76/487656376.db2.gz MRLHYOAJHLFLKB-SECBINFHSA-N 0 3 234.303 0.488 20 0 BCADHN O=C(c1ccc2nccn2c1)N1CCCNCC1 ZINC000169931507 487657121 /nfs/dbraw/zinc/65/71/21/487657121.db2.gz QBGUZQCUEYGQRO-UHFFFAOYSA-N 0 3 244.298 0.770 20 0 BCADHN CCCN(CCN(C)C)C(=O)C(C)(C)C(N)=O ZINC000683482867 487657288 /nfs/dbraw/zinc/65/72/88/487657288.db2.gz QWAXRHAPBPHGNV-UHFFFAOYSA-N 0 3 243.351 0.298 20 0 BCADHN C[C@H]1CN(CCN(C)C[C@@H](O)C2CC2)CCO1 ZINC000669690517 487658183 /nfs/dbraw/zinc/65/81/83/487658183.db2.gz ZICBCVNPIZKGOG-WCQYABFASA-N 0 3 242.363 0.410 20 0 BCADHN COC[C@@H]1CCCN1CCN1CCO[C@@H](C)C1 ZINC000669690494 487658348 /nfs/dbraw/zinc/65/83/48/487658348.db2.gz RLLKQYGXEPVZAG-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H]1CN(CCN(C)C[C@H](O)C2CC2)CCO1 ZINC000669690515 487658436 /nfs/dbraw/zinc/65/84/36/487658436.db2.gz ZICBCVNPIZKGOG-AAEUAGOBSA-N 0 3 242.363 0.410 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000674837014 487662722 /nfs/dbraw/zinc/66/27/22/487662722.db2.gz XBVDTVCUQWCQDK-PSASIEDQSA-N 0 3 222.292 0.480 20 0 BCADHN COCC[C@H](C)N[C@H]1CS(=O)(=O)C1(C)C ZINC000895982039 583757477 /nfs/dbraw/zinc/75/74/77/583757477.db2.gz KXBFLXCHTRMYKD-IUCAKERBSA-N 0 3 235.349 0.577 20 0 BCADHN CCC(C)(C)N1CCN(C(=O)CC(N)=O)CC1 ZINC000655272228 487663924 /nfs/dbraw/zinc/66/39/24/487663924.db2.gz NXNJDAIMWAYDLC-UHFFFAOYSA-N 0 3 241.335 0.195 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000565776776 322938325 /nfs/dbraw/zinc/93/83/25/322938325.db2.gz HQUKGKBIYDMNMD-NEPJUHHUSA-N 0 3 249.314 0.371 20 0 BCADHN CN(C)CCN(C)c1cc(CO)ccn1 ZINC000082542990 487669259 /nfs/dbraw/zinc/66/92/59/487669259.db2.gz BACXBIUDDHZLPA-UHFFFAOYSA-N 0 3 209.293 0.572 20 0 BCADHN CC(C)NCC(=O)NCc1cnn(C)c1 ZINC000041055115 487670080 /nfs/dbraw/zinc/67/00/80/487670080.db2.gz HEXYSJUFJAIVHI-UHFFFAOYSA-N 0 3 210.281 0.034 20 0 BCADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CN ZINC000307652139 229218293 /nfs/dbraw/zinc/21/82/93/229218293.db2.gz JILKFMLNCFFGLX-WCQYABFASA-N 0 3 247.342 0.582 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000512417231 229343313 /nfs/dbraw/zinc/34/33/13/229343313.db2.gz YWRBGQPYSWNXRI-GARJFASQSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@H]1CCCC[C@H]1OCCN(CCO)CCO ZINC000304292050 229346662 /nfs/dbraw/zinc/34/66/62/229346662.db2.gz CWQWVOBHVJAPQY-QWHCGFSZSA-N 0 3 245.363 0.868 20 0 BCADHN C[C@@H](C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)N(C)C ZINC000675147478 487674660 /nfs/dbraw/zinc/67/46/60/487674660.db2.gz SKSUMVOXBFYTAB-JBLDHEPKSA-N 0 3 239.363 0.535 20 0 BCADHN Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2)c([O-])c1 ZINC000036286775 487677691 /nfs/dbraw/zinc/67/76/91/487677691.db2.gz KCNOVAXMAJISOD-VIFPVBQESA-N 0 3 220.272 0.792 20 0 BCADHN CC(C)[C@H](N)C(=O)N(CC(N)=O)C1CCCC1 ZINC000037813878 487682447 /nfs/dbraw/zinc/68/24/47/487682447.db2.gz FAPPNDLKYCYQQI-NSHDSACASA-N 0 3 241.335 0.226 20 0 BCADHN CCN(C[C@@H]1CCCO1)C(=O)[C@H](C)NC ZINC000054076565 487683513 /nfs/dbraw/zinc/68/35/13/487683513.db2.gz YAFPVQDOSDXHCI-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCOC2)n1 ZINC000087783864 487684525 /nfs/dbraw/zinc/68/45/25/487684525.db2.gz PSDYKAYXYNNSNE-SECBINFHSA-N 0 3 208.261 0.974 20 0 BCADHN CCCC[C@H](C[NH3+])NC(=O)c1c[n-]nn1 ZINC000087779573 487684650 /nfs/dbraw/zinc/68/46/50/487684650.db2.gz NXFXZJGONSPHLO-SSDOTTSWSA-N 0 3 211.269 0.052 20 0 BCADHN CCCC[C@H](C[NH3+])NC(=O)c1cnn[n-]1 ZINC000087779573 487684653 /nfs/dbraw/zinc/68/46/53/487684653.db2.gz NXFXZJGONSPHLO-SSDOTTSWSA-N 0 3 211.269 0.052 20 0 BCADHN CCCC[C@H](C[NH3+])NC(=O)c1cn[n-]n1 ZINC000087779573 487684656 /nfs/dbraw/zinc/68/46/56/487684656.db2.gz NXFXZJGONSPHLO-SSDOTTSWSA-N 0 3 211.269 0.052 20 0 BCADHN CC(C)CNC(=O)COC1(C)CNC1 ZINC000163076525 487684707 /nfs/dbraw/zinc/68/47/07/487684707.db2.gz JEKVNCLDVGVROZ-UHFFFAOYSA-N 0 3 200.282 0.137 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000087790848 487686588 /nfs/dbraw/zinc/68/65/88/487686588.db2.gz WKDXEYNDXYLICC-YTWAJWBKSA-N 0 3 226.320 0.796 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cnc2ccccn12 ZINC000662661516 487687222 /nfs/dbraw/zinc/68/72/22/487687222.db2.gz RSFUTZFBAREEFY-QMMMGPOBSA-N 0 3 218.260 0.881 20 0 BCADHN CN(C)S(=O)(=O)CCN1CCC2(CC2)CC1 ZINC000671685414 487690519 /nfs/dbraw/zinc/69/05/19/487690519.db2.gz LZVIIIFUFSLPMA-UHFFFAOYSA-N 0 3 246.376 0.754 20 0 BCADHN COc1cccc(C[C@H](C)N[C@H](C)C(N)=O)n1 ZINC000683724427 487690621 /nfs/dbraw/zinc/69/06/21/487690621.db2.gz WNBSOIGFSIVMAF-DTWKUNHWSA-N 0 3 237.303 0.485 20 0 BCADHN COc1ccc(OCCNCCC(N)=O)cc1 ZINC000105895193 487691201 /nfs/dbraw/zinc/69/12/01/487691201.db2.gz HSPDSRKADIKKEZ-UHFFFAOYSA-N 0 3 238.287 0.539 20 0 BCADHN CCc1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)[nH]n1 ZINC000262832936 487691331 /nfs/dbraw/zinc/69/13/31/487691331.db2.gz VQFRJYACRNLRHG-DTWKUNHWSA-N 0 3 236.319 0.795 20 0 BCADHN CCc1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)n[nH]1 ZINC000262832936 487691337 /nfs/dbraw/zinc/69/13/37/487691337.db2.gz VQFRJYACRNLRHG-DTWKUNHWSA-N 0 3 236.319 0.795 20 0 BCADHN CCc1cc(C(=O)N2CCN[C@H](C)[C@H]2C)[nH]n1 ZINC000262832940 487691513 /nfs/dbraw/zinc/69/15/13/487691513.db2.gz VQFRJYACRNLRHG-RKDXNWHRSA-N 0 3 236.319 0.795 20 0 BCADHN CCc1cc(C(=O)N2CCN[C@H](C)[C@H]2C)n[nH]1 ZINC000262832940 487691520 /nfs/dbraw/zinc/69/15/20/487691520.db2.gz VQFRJYACRNLRHG-RKDXNWHRSA-N 0 3 236.319 0.795 20 0 BCADHN CC(C)NCC(=O)NCc1cscn1 ZINC000082626590 487696154 /nfs/dbraw/zinc/69/61/54/487696154.db2.gz MJPRSWXQTFTRPY-UHFFFAOYSA-N 0 3 213.306 0.757 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@H](CC)C1 ZINC000036770005 262860307 /nfs/dbraw/zinc/86/03/07/262860307.db2.gz OYWFTSUSJONIDI-DCAQKATOSA-N 0 3 228.336 0.997 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cnnn1C ZINC000527802642 262884014 /nfs/dbraw/zinc/88/40/14/262884014.db2.gz ASSJSSBKEKQSAL-LOKLDPHHSA-N 0 3 224.308 0.717 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cnnn1C ZINC000527802641 262884258 /nfs/dbraw/zinc/88/42/58/262884258.db2.gz ASSJSSBKEKQSAL-CKEKPRIKSA-N 0 3 224.308 0.717 20 0 BCADHN O=C(CNC1CC1)NCc1cscn1 ZINC000082626619 487698870 /nfs/dbraw/zinc/69/88/70/487698870.db2.gz BIRHTQPPOQNGEI-UHFFFAOYSA-N 0 3 211.290 0.511 20 0 BCADHN CCO[C@@]1(C)C[C@H]1N[C@@H](C)CC(N)=O ZINC000527974978 262901241 /nfs/dbraw/zinc/90/12/41/262901241.db2.gz PLVNAEYQEQYSOB-XKSSXDPKSA-N 0 3 200.282 0.407 20 0 BCADHN Cc1ncsc1CN1C[C@@H](CO)[C@H](CO)C1 ZINC000528599757 262961857 /nfs/dbraw/zinc/96/18/57/262961857.db2.gz TYVKQWFCVSZHLT-UWVGGRQHSA-N 0 3 242.344 0.484 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cccnn2)CCN1C ZINC000528658687 262964527 /nfs/dbraw/zinc/96/45/27/262964527.db2.gz UZFIMOZYBFAQBR-NXEZZACHSA-N 0 3 234.303 0.689 20 0 BCADHN CC[C@@](C)(N)c1cn(Cc2cnn(C)c2)nn1 ZINC000384199684 487699357 /nfs/dbraw/zinc/69/93/57/487699357.db2.gz LADDMDVSQHHBRO-LLVKDONJSA-N 0 3 234.307 0.644 20 0 BCADHN CCCOCC(=O)N1CCNCC1(C)C ZINC000226277735 487699393 /nfs/dbraw/zinc/69/93/93/487699393.db2.gz PLECXMCVRKMDOV-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CCN1CCN(CCn2ccccc2=O)[C@H](C)C1 ZINC000671716763 487700769 /nfs/dbraw/zinc/70/07/69/487700769.db2.gz QGXAAYNFIWQWOD-CYBMUJFWSA-N 0 3 249.358 0.874 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC000669593852 487701710 /nfs/dbraw/zinc/70/17/10/487701710.db2.gz PTYJIHAJOSYHFO-SNVBAGLBSA-N 0 3 236.319 0.932 20 0 BCADHN C[C@H](N)C(=O)N1CCN(c2cccs2)CC1 ZINC000178826084 487702327 /nfs/dbraw/zinc/70/23/27/487702327.db2.gz SNWGKJSAZJLVDC-VIFPVBQESA-N 0 3 239.344 0.744 20 0 BCADHN CNC(=O)CCNCc1ccc(OC)cc1 ZINC000044987718 487704021 /nfs/dbraw/zinc/70/40/21/487704021.db2.gz DYEHAIWLACDBQV-UHFFFAOYSA-N 0 3 222.288 0.921 20 0 BCADHN CN1CCC[C@@H](NC(=O)Nc2cncnc2)C1 ZINC000681045914 487705989 /nfs/dbraw/zinc/70/59/89/487705989.db2.gz YNMQBWPZSFTACS-SECBINFHSA-N 0 3 235.291 0.692 20 0 BCADHN CCN1C[C@H](NC(=O)Nc2cncnc2)[C@@H](C)C1 ZINC000681045808 487706155 /nfs/dbraw/zinc/70/61/55/487706155.db2.gz YFRLUUMYVKJPJC-ONGXEEELSA-N 0 3 249.318 0.938 20 0 BCADHN C[C@H]1CN(C(=O)N[C@@H]2CCCN(C)C2)CCN1 ZINC000669403346 487706177 /nfs/dbraw/zinc/70/61/77/487706177.db2.gz WADWGACERJHYNI-WDEREUQCSA-N 0 3 240.351 0.084 20 0 BCADHN NC1(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000088130569 487706984 /nfs/dbraw/zinc/70/69/84/487706984.db2.gz MDPXKVFFHNNTMZ-VIFPVBQESA-N 0 3 234.303 0.607 20 0 BCADHN C[C@@H]1C[C@H](C)CN(C(=O)COC2(C)CNC2)C1 ZINC000098060248 487717604 /nfs/dbraw/zinc/71/76/04/487717604.db2.gz SNXZCPSVSJKJCB-PHIMTYICSA-N 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CN(Cc1cnc[nH]1)C[C@@H]1CNc2ccnn2C1 ZINC000668423127 487729471 /nfs/dbraw/zinc/72/94/71/487729471.db2.gz PBLXEBGKQLILOO-JTQLQIEISA-N 0 3 246.318 0.780 20 0 BCADHN O=C(CNC1(CO)CCCCC1)NC1CC1 ZINC000053097414 487731527 /nfs/dbraw/zinc/73/15/27/487731527.db2.gz PFDFTBXYWRIHKY-UHFFFAOYSA-N 0 3 226.320 0.550 20 0 BCADHN CCO[C@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000250567700 487733363 /nfs/dbraw/zinc/73/33/63/487733363.db2.gz VJYRSVBADVJKNG-NWDGAFQWSA-N 0 3 228.336 0.476 20 0 BCADHN CC(C)C[C@@H](CN(C)C)NCc1ncnn1C ZINC000088572129 487734407 /nfs/dbraw/zinc/73/44/07/487734407.db2.gz ODIAYWRLBNMFGI-NSHDSACASA-N 0 3 239.367 0.881 20 0 BCADHN CN1CCC[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC000681127109 487735210 /nfs/dbraw/zinc/73/52/10/487735210.db2.gz LBYGDYMCUKGZLE-NSHDSACASA-N 0 3 238.331 0.791 20 0 BCADHN CCNC(=O)N1CC[C@@H](NCc2cn[nH]c2)C1 ZINC000675485402 487739833 /nfs/dbraw/zinc/73/98/33/487739833.db2.gz MRXZJHXJZKAPBE-SNVBAGLBSA-N 0 3 237.307 0.303 20 0 BCADHN C[C@@H](c1ccccn1)N1C[C@H](O)C[C@H]1CO ZINC000681167384 487740687 /nfs/dbraw/zinc/74/06/87/487740687.db2.gz PKXCZIYNUURWJV-GARJFASQSA-N 0 3 222.288 0.570 20 0 BCADHN Cc1c[nH]nc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000669600752 487741266 /nfs/dbraw/zinc/74/12/66/487741266.db2.gz KHDDFAKHJHBZFX-SECBINFHSA-N 0 3 236.319 0.931 20 0 BCADHN CCC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000675538339 487745335 /nfs/dbraw/zinc/74/53/35/487745335.db2.gz VCTMQIPEHKWKFV-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN Cc1c[nH]nc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000669601859 487748068 /nfs/dbraw/zinc/74/80/68/487748068.db2.gz HFYLHWMYDGKWJT-SNVBAGLBSA-N 0 3 236.319 0.932 20 0 BCADHN C[C@H](NCC(=O)Nc1ccon1)[C@H]1CCOC1 ZINC000681220834 487750276 /nfs/dbraw/zinc/75/02/76/487750276.db2.gz IZFVQPTVVRSNNP-IUCAKERBSA-N 0 3 239.275 0.628 20 0 BCADHN Cc1c[nH]nc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000669602783 487750068 /nfs/dbraw/zinc/75/00/68/487750068.db2.gz MYQTWPHNJOIORI-NSHDSACASA-N 0 3 248.330 0.932 20 0 BCADHN CO[C@H](CC(C)C)CN1CCC(O)(CO)CC1 ZINC000661618975 487751676 /nfs/dbraw/zinc/75/16/76/487751676.db2.gz BHVXCTVBSUUIKS-GFCCVEGCSA-N 0 3 245.363 0.867 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000233968322 487755506 /nfs/dbraw/zinc/75/55/06/487755506.db2.gz HAEUDAXMFRUKAI-VDDIYKPWSA-N 0 3 241.335 0.084 20 0 BCADHN COCC1(NCc2c[nH]cn2)CCOCC1 ZINC000309823887 487759293 /nfs/dbraw/zinc/75/92/93/487759293.db2.gz GXAZTSICIMDISQ-UHFFFAOYSA-N 0 3 225.292 0.695 20 0 BCADHN COCC1(NCc2cnc[nH]2)CCOCC1 ZINC000309823887 487759297 /nfs/dbraw/zinc/75/92/97/487759297.db2.gz GXAZTSICIMDISQ-UHFFFAOYSA-N 0 3 225.292 0.695 20 0 BCADHN C[C@@H](C(=O)N1CCCC[C@@H]1CN(C)C)N(C)C ZINC000674264185 487760006 /nfs/dbraw/zinc/76/00/06/487760006.db2.gz SEMSIYMXLOLINX-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN C[C@@H](C(=O)N1CCCC[C@H]1CN(C)C)N(C)C ZINC000674264189 487760198 /nfs/dbraw/zinc/76/01/98/487760198.db2.gz SEMSIYMXLOLINX-RYUDHWBXSA-N 0 3 241.379 0.879 20 0 BCADHN CO[C@@H](C)CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000666221495 487761546 /nfs/dbraw/zinc/76/15/46/487761546.db2.gz CDBQLEPYTKJWIZ-WDEREUQCSA-N 0 3 243.351 0.757 20 0 BCADHN CN(C)CCNC(=S)NC1CCSCC1 ZINC000749783361 585206106 /nfs/dbraw/zinc/20/61/06/585206106.db2.gz GOAOZPZCMRNDLN-UHFFFAOYSA-N 0 3 247.433 0.908 20 0 BCADHN CC(C)NC(=O)CN(C)CCCCCCO ZINC000750184871 585212018 /nfs/dbraw/zinc/21/20/18/585212018.db2.gz VMWCMEUIQQQTLY-UHFFFAOYSA-N 0 3 230.352 0.996 20 0 BCADHN C[C@H](CNC(=S)NCC(F)(F)F)N(C)C ZINC000750988465 585223294 /nfs/dbraw/zinc/22/32/94/585223294.db2.gz OPNXGGQPSDHBKG-ZCFIWIBFSA-N 0 3 243.298 0.963 20 0 BCADHN CC(C)[C@@H](O)C(C)(C)CNC(=O)[C@@H](C)N ZINC000157988389 487764454 /nfs/dbraw/zinc/76/44/54/487764454.db2.gz RXOHEWLAZYUGAB-RKDXNWHRSA-N 0 3 216.325 0.493 20 0 BCADHN Cc1c[nH]nc1C(=O)N(C)CCN(C)C ZINC000669607887 487765127 /nfs/dbraw/zinc/76/51/27/487765127.db2.gz BHWBLJOLDJWSEM-UHFFFAOYSA-N 0 3 210.281 0.352 20 0 BCADHN C[C@H](CO)CN1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000684101624 487765857 /nfs/dbraw/zinc/76/58/57/487765857.db2.gz UWUCITIPNNVWJJ-RVMXOQNASA-N 0 3 243.347 0.883 20 0 BCADHN CON(C)C(=O)NC[C@@H]1CCCN1C ZINC000753408870 585258336 /nfs/dbraw/zinc/25/83/36/585258336.db2.gz ZSTPLUWAPJVCBZ-QMMMGPOBSA-N 0 3 201.270 0.283 20 0 BCADHN Cc1nccnc1C(=O)NC[C@@H](C)N(C)C ZINC000666243483 487767759 /nfs/dbraw/zinc/76/77/59/487767759.db2.gz JTCFZFYFHVDIPT-MRVPVSSYSA-N 0 3 222.292 0.465 20 0 BCADHN CCN(C(=O)NC[C@@H](C)OC)[C@H]1CCN(C)C1 ZINC000666255525 487767530 /nfs/dbraw/zinc/76/75/30/487767530.db2.gz SMSBYUQCJOMOTF-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN C[C@H](CNC(=O)C1(N(C)C)CC1)N(C)C ZINC000666243240 487767587 /nfs/dbraw/zinc/76/75/87/487767587.db2.gz DVQKENACVKLABQ-SECBINFHSA-N 0 3 213.325 0.147 20 0 BCADHN CN1CCC[C@H](NC(=O)Nc2cccnn2)C1 ZINC000675694375 487767836 /nfs/dbraw/zinc/76/78/36/487767836.db2.gz PBTLYBZWKSPYNP-VIFPVBQESA-N 0 3 235.291 0.692 20 0 BCADHN O=C(N[C@H]1CCN(CC2CC2)C1)[C@@H](O)C1CC1 ZINC000668457802 487781221 /nfs/dbraw/zinc/78/12/21/487781221.db2.gz PQXXJBNJOQYTHX-RYUDHWBXSA-N 0 3 238.331 0.358 20 0 BCADHN CN(CC[C@H]1CCOC1=O)[C@@H]1CCOC1 ZINC000120513370 589423348 /nfs/dbraw/zinc/42/33/48/589423348.db2.gz WYJBXDVGDOADMK-VHSXEESVSA-N 0 3 213.277 0.660 20 0 BCADHN C[C@H](CNC(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000669412148 487785116 /nfs/dbraw/zinc/78/51/16/487785116.db2.gz BYZNSCJCFJYPMN-KOLCDFICSA-N 0 3 241.335 0.320 20 0 BCADHN C[C@H](N[C@H](CO)CC1CC1)c1ccc(=O)[nH]n1 ZINC000671754129 487790053 /nfs/dbraw/zinc/79/00/53/487790053.db2.gz SWTWEIBKLUQSFC-WPRPVWTQSA-N 0 3 237.303 0.994 20 0 BCADHN C[C@@H](N[C@H](CO)CC1CC1)c1ccc(=O)[nH]n1 ZINC000671754127 487790311 /nfs/dbraw/zinc/79/03/11/487790311.db2.gz SWTWEIBKLUQSFC-SCZZXKLOSA-N 0 3 237.303 0.994 20 0 BCADHN CO[C@H](C)CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000223763654 487793131 /nfs/dbraw/zinc/79/31/31/487793131.db2.gz YUTOLYBTKAAPJZ-IVZWLZJFSA-N 0 3 214.309 0.526 20 0 BCADHN O=C1NCCC[C@H]1N1CCC[C@@H](CCO)C1 ZINC000675963943 487796143 /nfs/dbraw/zinc/79/61/43/487796143.db2.gz NJJXCRFARCWDBW-WDEREUQCSA-N 0 3 226.320 0.359 20 0 BCADHN CCN1CCCN(C(=O)C2(N(C)C)CC2)CC1 ZINC000668474585 487799845 /nfs/dbraw/zinc/79/98/45/487799845.db2.gz APKHTFMHVCQDLH-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN C1CN([C@@H]2CCCOC2)C[C@H]1N1CCOCC1 ZINC000674302627 487800242 /nfs/dbraw/zinc/80/02/42/487800242.db2.gz PLDLTEMVFQYNDU-QWHCGFSZSA-N 0 3 240.347 0.572 20 0 BCADHN C1CN([C@H]2CCCOC2)C[C@@H]1N1CCOCC1 ZINC000674302626 487800403 /nfs/dbraw/zinc/80/04/03/487800403.db2.gz PLDLTEMVFQYNDU-OLZOCXBDSA-N 0 3 240.347 0.572 20 0 BCADHN CN1CCC[C@@H](NC(=O)NCCCF)C1 ZINC000676048448 487805351 /nfs/dbraw/zinc/80/53/51/487805351.db2.gz IYJNAJNOKYKSFV-SECBINFHSA-N 0 3 217.288 0.739 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)[C@@H](O)C2CC2)C1 ZINC000666428510 487805841 /nfs/dbraw/zinc/80/58/41/487805841.db2.gz RMRWWXRQHGZCIU-PWSUYJOCSA-N 0 3 240.347 0.605 20 0 BCADHN CC(=O)NCCN(C)CCOC(C)(C)C ZINC000676052235 487806378 /nfs/dbraw/zinc/80/63/78/487806378.db2.gz OPCVAUIYHFOTHV-UHFFFAOYSA-N 0 3 216.325 0.869 20 0 BCADHN C[C@H]1CCCN(CCNC(=O)[C@H](O)C2CC2)C1 ZINC000666428508 487806779 /nfs/dbraw/zinc/80/67/79/487806779.db2.gz RMRWWXRQHGZCIU-CMPLNLGQSA-N 0 3 240.347 0.605 20 0 BCADHN Cc1nc(C(=O)NC[C@@H]2CCN(C)C2)co1 ZINC000681551779 487814186 /nfs/dbraw/zinc/81/41/86/487814186.db2.gz HIJBJFGEMNOZGK-VIFPVBQESA-N 0 3 223.276 0.665 20 0 BCADHN COC[C@H](NC(=O)[C@H](C)N)c1ccc(F)cc1 ZINC000353217733 487820749 /nfs/dbraw/zinc/82/07/49/487820749.db2.gz ZEJYXMCOLXZBJP-KWQFWETISA-N 0 3 240.278 0.977 20 0 BCADHN COCC1(CN2CCC[C@@H]2C(N)=O)CCC1 ZINC000361291421 487820778 /nfs/dbraw/zinc/82/07/78/487820778.db2.gz XNXAMVOYEWTCRD-SNVBAGLBSA-N 0 3 226.320 0.753 20 0 BCADHN CCCNCc1ccc(S(N)(=O)=O)cc1F ZINC000647166521 487822568 /nfs/dbraw/zinc/82/25/68/487822568.db2.gz SOCYALHWFNXLFS-UHFFFAOYSA-N 0 3 246.307 0.973 20 0 BCADHN COCCOCCN1CC[C@H](n2cncn2)C1 ZINC000681603623 487823050 /nfs/dbraw/zinc/82/30/50/487823050.db2.gz OCHWXIRCEPFEQX-NSHDSACASA-N 0 3 240.307 0.188 20 0 BCADHN Cn1cc(CCN2CC[C@H](n3cncn3)C2)cn1 ZINC000681605063 487823072 /nfs/dbraw/zinc/82/30/72/487823072.db2.gz OWNSHDHLHZIOOP-LBPRGKRZSA-N 0 3 246.318 0.501 20 0 BCADHN COC(=O)[C@@H]1CCN(CCC(C)=O)[C@H]1C ZINC000787327018 585907203 /nfs/dbraw/zinc/90/72/03/585907203.db2.gz LCRQMRNVDKCVOB-VHSXEESVSA-N 0 3 213.277 0.849 20 0 BCADHN CC(=O)CSCC(=O)NC[C@H](C)N(C)C ZINC000494243620 526442847 /nfs/dbraw/zinc/44/28/47/526442847.db2.gz BOYXCTNITCZXLL-QMMMGPOBSA-N 0 3 232.349 0.375 20 0 BCADHN C[C@@H](N)C(=O)N(Cc1ccccc1)C[C@@H](C)O ZINC000306225605 322944901 /nfs/dbraw/zinc/94/49/01/322944901.db2.gz FSRLLBRORRJKJL-GHMZBOCLSA-N 0 3 236.315 0.743 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000305177617 487827314 /nfs/dbraw/zinc/82/73/14/487827314.db2.gz MDEBEEJHCBWEGP-LPEHRKFASA-N 0 3 214.309 0.343 20 0 BCADHN O=C1NCC[C@@H]1N1CCN(c2ccncc2)CC1 ZINC000676241211 487827466 /nfs/dbraw/zinc/82/74/66/487827466.db2.gz IKCOACNNZPFSPA-LBPRGKRZSA-N 0 3 246.314 0.092 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@H]([C@H](C)O)C1 ZINC000305177615 487827708 /nfs/dbraw/zinc/82/77/08/487827708.db2.gz MDEBEEJHCBWEGP-IVZWLZJFSA-N 0 3 214.309 0.343 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCC[C@H](O)C1 ZINC000558032268 322945518 /nfs/dbraw/zinc/94/55/18/322945518.db2.gz UADODYZVXPESSE-AXFHLTTASA-N 0 3 228.336 0.604 20 0 BCADHN COCCN(C)CCNC(=O)C(C)(F)F ZINC000808460388 586473218 /nfs/dbraw/zinc/47/32/18/586473218.db2.gz BXYSOUOXYGODKW-UHFFFAOYSA-N 0 3 224.251 0.336 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC000816954820 586774577 /nfs/dbraw/zinc/77/45/77/586774577.db2.gz LUHDXMGVXTXPAY-DTWKUNHWSA-N 0 3 214.284 0.897 20 0 BCADHN CCNC(=O)CN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000395031131 487831742 /nfs/dbraw/zinc/83/17/42/487831742.db2.gz VFJZARBZNPZYDM-DJLDLDEBSA-N 0 3 200.282 0.278 20 0 BCADHN CCNC(=O)CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000395031132 487832161 /nfs/dbraw/zinc/83/21/61/487832161.db2.gz VFJZARBZNPZYDM-HRDYMLBCSA-N 0 3 200.282 0.278 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@](O)(CC)C1 ZINC000495228935 528025811 /nfs/dbraw/zinc/02/58/11/528025811.db2.gz MPZHZYHNIPOJST-GFCCVEGCSA-N 0 3 228.336 0.702 20 0 BCADHN Cc1c[nH]nc1C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000669615046 487836126 /nfs/dbraw/zinc/83/61/26/487836126.db2.gz CCVUOKYSVWNDGZ-MNOVXSKESA-N 0 3 248.330 0.884 20 0 BCADHN C[C@@H]1CCC[C@@H](CNC(=O)NCCN(C)C)O1 ZINC000666594237 487836713 /nfs/dbraw/zinc/83/67/13/487836713.db2.gz WXKVGKLJOCKPRJ-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN CC[C@@H](C[C@@H](C)CO)NCCS(C)(=O)=O ZINC000843097921 588081224 /nfs/dbraw/zinc/08/12/24/588081224.db2.gz IDWCZVHRXREYAI-ZJUUUORDSA-N 0 3 237.365 0.418 20 0 BCADHN CCO/C=C\C(=O)N[C@H]1CCN(CCOC)C1 ZINC000493067184 528537403 /nfs/dbraw/zinc/53/74/03/528537403.db2.gz ANGSHSJZLTVUKV-OFSNVTPPSA-N 0 3 242.319 0.374 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@@H]1NCC1(C)C ZINC000390771356 487839586 /nfs/dbraw/zinc/83/95/86/487839586.db2.gz WEXGWQBXKFULRM-IUCAKERBSA-N 0 3 214.309 0.262 20 0 BCADHN Cn1c(CN[C@@H]2CC[C@H]2O)cnc1Cl ZINC000848559617 588397086 /nfs/dbraw/zinc/39/70/86/588397086.db2.gz SRVMLMLKSAIESO-HTQZYQBOSA-N 0 3 215.684 0.686 20 0 BCADHN CN(C)CCNC(=O)NC[C@]1(C)CC1(F)F ZINC000666603301 487840122 /nfs/dbraw/zinc/84/01/22/487840122.db2.gz ONPRTWMPRSLXRV-VIFPVBQESA-N 0 3 235.278 0.893 20 0 BCADHN CC[C@](C)(N)c1cn(C[C@@H]2CCOC2)nn1 ZINC000395171440 487841286 /nfs/dbraw/zinc/84/12/86/487841286.db2.gz MSTJLBJGLPVHES-ONGXEEELSA-N 0 3 224.308 0.899 20 0 BCADHN CC[C@@](C)(N)c1cn(C[C@H]2CCOC2)nn1 ZINC000395171433 487841559 /nfs/dbraw/zinc/84/15/59/487841559.db2.gz MSTJLBJGLPVHES-MWLCHTKSSA-N 0 3 224.308 0.899 20 0 BCADHN C[C@@H](NCCn1ccccc1=O)c1cn[nH]c1 ZINC000681694607 487841623 /nfs/dbraw/zinc/84/16/23/487841623.db2.gz LLDLWNYTPDBSSK-SNVBAGLBSA-N 0 3 232.287 0.922 20 0 BCADHN CO[C@H]1CCN(C[C@H]2COC(C)(C)O2)C1 ZINC000851798721 588630361 /nfs/dbraw/zinc/63/03/61/588630361.db2.gz HBWRDUKMJFNHKF-UWVGGRQHSA-N 0 3 215.293 0.859 20 0 BCADHN COC[C@@H](CN1CCN(C)[C@@H](C)C1)OC ZINC000851876439 588638305 /nfs/dbraw/zinc/63/83/05/588638305.db2.gz FCIXGSXXXYPRQR-WDEREUQCSA-N 0 3 216.325 0.284 20 0 BCADHN CC[C@H]1CN(CCOC(F)F)C[C@H]1O ZINC000851880954 588639724 /nfs/dbraw/zinc/63/97/24/588639724.db2.gz VGDOVXMWQQXSNM-JGVFFNPUSA-N 0 3 209.236 0.928 20 0 BCADHN O=C1CC[C@@H](CN(CCO)C2CCC2)O1 ZINC000851970180 588649513 /nfs/dbraw/zinc/64/95/13/588649513.db2.gz BUIGRCVXWXMZHV-JTQLQIEISA-N 0 3 213.277 0.539 20 0 BCADHN CCCN1CC[C@H](NC(=O)NOC)C1 ZINC000852632104 588693096 /nfs/dbraw/zinc/69/30/96/588693096.db2.gz PXYIBTAFUROXFL-QMMMGPOBSA-N 0 3 201.270 0.331 20 0 BCADHN CCN(C[C@@H](C)CO)C[C@H](O)C(F)(F)F ZINC000681697990 487843237 /nfs/dbraw/zinc/84/32/37/487843237.db2.gz MKCFLRXZMSFJDG-SFYZADRCSA-N 0 3 229.242 0.860 20 0 BCADHN C[C@@H]1CN(Cc2ccn(C)c(=O)c2)CC[C@H]1O ZINC000681707506 487844376 /nfs/dbraw/zinc/84/43/76/487844376.db2.gz APWYIEBYSFJZIB-ZYHUDNBSSA-N 0 3 236.315 0.588 20 0 BCADHN O=C1NCCN1CCN1CC[C@@H](C(F)F)C1 ZINC000676391038 487844561 /nfs/dbraw/zinc/84/45/61/487844561.db2.gz PURWOMJHDVCORF-MRVPVSSYSA-N 0 3 233.262 0.599 20 0 BCADHN COCC1(C)CN(C[C@@H](O)CC(C)(C)O)C1 ZINC000871981679 589851848 /nfs/dbraw/zinc/85/18/48/589851848.db2.gz IBLLRZONVUSTRT-JTQLQIEISA-N 0 3 231.336 0.477 20 0 BCADHN CCN[C@H](C)C(=O)NC(C)(C)CC(=O)OC ZINC000876668788 590228384 /nfs/dbraw/zinc/22/83/84/590228384.db2.gz QPWMSRRLYHPZSS-MRVPVSSYSA-N 0 3 230.308 0.442 20 0 BCADHN CC[C@H](OC)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655510738 487846039 /nfs/dbraw/zinc/84/60/39/487846039.db2.gz SREXTPVAYRGITF-WDSKDSINSA-N 0 3 228.214 0.417 20 0 BCADHN O[C@@H]1COC[C@@H]1NC[C@H]1CC1(Cl)Cl ZINC000877666800 590389123 /nfs/dbraw/zinc/38/91/23/590389123.db2.gz BUKPFHHMYHSCSZ-DSYKOEDSSA-N 0 3 226.103 0.530 20 0 BCADHN CCN1CCN(CC2(O)CCOCC2)C[C@H]1C ZINC000676410690 487848891 /nfs/dbraw/zinc/84/88/91/487848891.db2.gz GJADYCMADLZLDC-GFCCVEGCSA-N 0 3 242.363 0.554 20 0 BCADHN CCCCN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594873980 487852746 /nfs/dbraw/zinc/85/27/46/487852746.db2.gz YIERJSQPLOCCGB-VHSXEESVSA-N 0 3 211.309 0.030 20 0 BCADHN CO[C@]1(CO)CCCN(Cc2cccn2C)C1 ZINC000668497391 487855636 /nfs/dbraw/zinc/85/56/36/487855636.db2.gz XBCFKEQSPZQKQC-CYBMUJFWSA-N 0 3 238.331 0.998 20 0 BCADHN CCCC[C@H](C)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000668506040 487861240 /nfs/dbraw/zinc/86/12/40/487861240.db2.gz FVGGYQPCQSTSST-GARJFASQSA-N 0 3 249.376 0.967 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)NC[C@@](C)(O)CCN(C)C ZINC000681786132 487862363 /nfs/dbraw/zinc/86/23/63/487862363.db2.gz FRYOAVRUAIHREY-SCVCMEIPSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)NC[C@](C)(O)CCN(C)C ZINC000681786131 487862850 /nfs/dbraw/zinc/86/28/50/487862850.db2.gz FRYOAVRUAIHREY-JFGNBEQYSA-N 0 3 228.336 0.461 20 0 BCADHN CC(C(=O)N1CCCOC[C@H]1C)S(C)(=O)=O ZINC000676515665 487863534 /nfs/dbraw/zinc/86/35/34/487863534.db2.gz XNJNINNNKMSNQW-BDAKNGLRSA-N 0 3 249.332 0.057 20 0 BCADHN CCN(CCCO)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000373213907 487863739 /nfs/dbraw/zinc/86/37/39/487863739.db2.gz BTOCLYPQIZUFJP-BETUJISGSA-N 0 3 242.363 0.554 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](C)CC(=O)OC ZINC000303391660 487864139 /nfs/dbraw/zinc/86/41/39/487864139.db2.gz RHRZBFIMYJRRKU-KCJUWKMLSA-N 0 3 230.308 0.572 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H](C)CC(=O)OC ZINC000303391662 487864120 /nfs/dbraw/zinc/86/41/20/487864120.db2.gz RHRZBFIMYJRRKU-LDYMZIIASA-N 0 3 230.308 0.572 20 0 BCADHN C[C@@H](O)C[C@H]1CCCN1CC(=O)N1CCC1 ZINC000303430839 487865935 /nfs/dbraw/zinc/86/59/35/487865935.db2.gz BKFVKCNZTSSWBL-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN COCc1n[nH]c(CN[C@H]2CSC[C@@H]2C)n1 ZINC000668510770 487869348 /nfs/dbraw/zinc/86/93/48/487869348.db2.gz ZRSNWFHXJKDLOH-YUMQZZPRSA-N 0 3 242.348 0.792 20 0 BCADHN CCO[C@H]1C[C@H]1NC(=O)NC1CCN(C)CC1 ZINC000559259939 322961120 /nfs/dbraw/zinc/96/11/20/322961120.db2.gz DAQAJQRJXNTIQF-MNOVXSKESA-N 0 3 241.335 0.557 20 0 BCADHN CCN(CC)CC(=O)N1CCCOC[C@H]1C ZINC000676537707 487870632 /nfs/dbraw/zinc/87/06/32/487870632.db2.gz YVVPWIVMBATGLM-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CO[C@H](C)CNC(=O)[C@@H]1NCCCC1(C)C ZINC000234765257 487872317 /nfs/dbraw/zinc/87/23/17/487872317.db2.gz VQBAKNUQUWYKPN-ZJUUUORDSA-N 0 3 228.336 0.916 20 0 BCADHN CCc1cc(CNC(=O)C2(N)CCC2)on1 ZINC000564929528 322962815 /nfs/dbraw/zinc/96/28/15/322962815.db2.gz MHGXRZCPYOCLJL-UHFFFAOYSA-N 0 3 223.276 0.735 20 0 BCADHN CO[C@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000234775979 487876993 /nfs/dbraw/zinc/87/69/93/487876993.db2.gz OFAHNXIVGQDPSR-VIFPVBQESA-N 0 3 212.293 0.505 20 0 BCADHN CCOCCCN1CC[C@@H](CO)[C@H](O)C1 ZINC000676587299 487877239 /nfs/dbraw/zinc/87/72/39/487877239.db2.gz KKLVORBEGQIJTB-WDEREUQCSA-N 0 3 217.309 0.088 20 0 BCADHN CCOCCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000676587298 487877498 /nfs/dbraw/zinc/87/74/98/487877498.db2.gz KKLVORBEGQIJTB-QWRGUYRKSA-N 0 3 217.309 0.088 20 0 BCADHN CC[C@@H](N)C(=O)N(CC(F)F)C1CC1 ZINC000129782500 487877660 /nfs/dbraw/zinc/87/76/60/487877660.db2.gz LSUWSEIRCAROCF-SSDOTTSWSA-N 0 3 206.236 0.980 20 0 BCADHN Cc1c[nH]c(NC(=O)[C@@H](N)CC(F)F)n1 ZINC000564934233 322963879 /nfs/dbraw/zinc/96/38/79/322963879.db2.gz DZGXBRQHVUXJDC-YFKPBYRVSA-N 0 3 218.207 0.639 20 0 BCADHN COCC(COC)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000668219944 487881669 /nfs/dbraw/zinc/88/16/69/487881669.db2.gz YZXXNLOPOIQQIV-ZYHUDNBSSA-N 0 3 229.320 0.805 20 0 BCADHN C[C@@H](CO)CN1CCCN(C(=O)C2CC2)CC1 ZINC000682030724 487883508 /nfs/dbraw/zinc/88/35/08/487883508.db2.gz UEFIMEKLNMCVAG-LLVKDONJSA-N 0 3 240.347 0.559 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NC[C@@H](C)O)C1 ZINC000666923437 487885158 /nfs/dbraw/zinc/88/51/58/487885158.db2.gz LABAHNZNZAYEGQ-NXEZZACHSA-N 0 3 229.324 0.151 20 0 BCADHN COCCCCN1CCN(CCO)C(C)(C)C1 ZINC000682035964 487886217 /nfs/dbraw/zinc/88/62/17/487886217.db2.gz FLEGMJGSTDFBNB-UHFFFAOYSA-N 0 3 244.379 0.802 20 0 BCADHN COC[C@H](C)N1CCN(CCO)C(C)(C)C1 ZINC000682035463 487886235 /nfs/dbraw/zinc/88/62/35/487886235.db2.gz YSAFXYCMGSJNFW-NSHDSACASA-N 0 3 230.352 0.410 20 0 BCADHN CCOCCCN1CCN(CCO)C(C)(C)C1 ZINC000682036561 487886324 /nfs/dbraw/zinc/88/63/24/487886324.db2.gz ZIDGBMIDONVTOZ-UHFFFAOYSA-N 0 3 244.379 0.802 20 0 BCADHN CC1(C)CN([C@@H]2CCCOC2)CCN1CCO ZINC000682036495 487886923 /nfs/dbraw/zinc/88/69/23/487886923.db2.gz XEMSAASDLZKATD-GFCCVEGCSA-N 0 3 242.363 0.554 20 0 BCADHN CC(C)N(CCN(C)C)C(=O)c1ccn(C)n1 ZINC000676664449 487888139 /nfs/dbraw/zinc/88/81/39/487888139.db2.gz QTEGCIFTUCJQOZ-UHFFFAOYSA-N 0 3 238.335 0.832 20 0 BCADHN COc1ncccc1CN[C@H]1CCCNC(=O)C1 ZINC000111825755 487892385 /nfs/dbraw/zinc/89/23/85/487892385.db2.gz KVWMKMKMNPHDTR-NSHDSACASA-N 0 3 249.314 0.849 20 0 BCADHN CC[C@@H](C(=O)N(C[C@@H](C)O)C1CC1)N(C)C ZINC000655376221 487893691 /nfs/dbraw/zinc/89/36/91/487893691.db2.gz NHKCRZAQTWZNCW-KOLCDFICSA-N 0 3 228.336 0.698 20 0 BCADHN CC[C@H](C(=O)N(C[C@@H](C)O)C1CC1)N(C)C ZINC000655376222 487893773 /nfs/dbraw/zinc/89/37/73/487893773.db2.gz NHKCRZAQTWZNCW-MWLCHTKSSA-N 0 3 228.336 0.698 20 0 BCADHN C[C@H](C(=O)Nc1ccccc1)n1cc(CN)nn1 ZINC000050224637 487896607 /nfs/dbraw/zinc/89/66/07/487896607.db2.gz JRJPUYLAXFCOHB-SECBINFHSA-N 0 3 245.286 0.937 20 0 BCADHN COC[C@@H](C)CN1CCN([C@@H]2CCOC2)CC1 ZINC000668535657 487898827 /nfs/dbraw/zinc/89/88/27/487898827.db2.gz NYRJCGKWTKVIIO-QWHCGFSZSA-N 0 3 242.363 0.675 20 0 BCADHN C[C@@H]1COCCCN1C[C@H](O)Cn1cccn1 ZINC000676712852 487900424 /nfs/dbraw/zinc/90/04/24/487900424.db2.gz NKGFPVXEBSWGTK-NEPJUHHUSA-N 0 3 239.319 0.355 20 0 BCADHN CCN(CC(=O)N[C@H]1CCCN(C)C1)C1CC1 ZINC000676718980 487905296 /nfs/dbraw/zinc/90/52/96/487905296.db2.gz FXBNPWPPPYZNOV-NSHDSACASA-N 0 3 239.363 0.681 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N[C@H](C)CO)C1 ZINC000666924889 487906468 /nfs/dbraw/zinc/90/64/68/487906468.db2.gz NESZQNFZLGXUIS-NXEZZACHSA-N 0 3 229.324 0.151 20 0 BCADHN CCn1nccc1CN(C)CC1CN(C)C1 ZINC000668540196 487906540 /nfs/dbraw/zinc/90/65/40/487906540.db2.gz ZJKHFVDXIHTGIJ-UHFFFAOYSA-N 0 3 222.336 0.896 20 0 BCADHN CCCN1CC[C@@H](NC(=O)NCCCO)C1 ZINC000666930145 487907772 /nfs/dbraw/zinc/90/77/72/487907772.db2.gz YGQCUWJBTGWEMZ-SNVBAGLBSA-N 0 3 229.324 0.152 20 0 BCADHN CCC(O)(CC)CN(C)[C@@H]1CCCNC1=O ZINC000682092844 487908817 /nfs/dbraw/zinc/90/88/17/487908817.db2.gz GCTHYECSZINAKP-SNVBAGLBSA-N 0 3 228.336 0.748 20 0 BCADHN Cn1cc(CCNC(=O)[C@@H]2NCC2(C)C)cn1 ZINC000645564789 487912903 /nfs/dbraw/zinc/91/29/03/487912903.db2.gz KABDMCRQNKYGIL-JTQLQIEISA-N 0 3 236.319 0.077 20 0 BCADHN CCN(CC[C@H]1CCOC1)CC(=O)N(C)C ZINC000682152343 487914788 /nfs/dbraw/zinc/91/47/88/487914788.db2.gz ZFYVLQDPTQMHIY-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN CCC[C@@H](O)CNC(=O)C1(N)CCCC1 ZINC000157622882 487915516 /nfs/dbraw/zinc/91/55/16/487915516.db2.gz SEFYNLUQLWAPKA-SECBINFHSA-N 0 3 214.309 0.535 20 0 BCADHN CCC[C@H](O)CNC(=O)C1(N)CCCC1 ZINC000157622733 487915811 /nfs/dbraw/zinc/91/58/11/487915811.db2.gz SEFYNLUQLWAPKA-VIFPVBQESA-N 0 3 214.309 0.535 20 0 BCADHN CCC[C@@H](O)CC(=O)N(C)CCN(C)C ZINC000676755537 487920475 /nfs/dbraw/zinc/92/04/75/487920475.db2.gz MRBQQOGFBOMYAN-SNVBAGLBSA-N 0 3 216.325 0.558 20 0 BCADHN c1n[nH]c2c1CCN(C[C@H]1CCCO1)C2 ZINC000676792158 487929545 /nfs/dbraw/zinc/92/95/45/487929545.db2.gz KCJZIBZTKKUGCI-SNVBAGLBSA-N 0 3 207.277 0.947 20 0 BCADHN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(C)C2)CO1 ZINC000682223915 487929582 /nfs/dbraw/zinc/92/95/82/487929582.db2.gz GNNNBULDRJUDSE-GMTAPVOTSA-N 0 3 226.320 0.622 20 0 BCADHN c1ncn(CCN2CCc3cn[nH]c3C2)n1 ZINC000676797518 487932135 /nfs/dbraw/zinc/93/21/35/487932135.db2.gz LOYMBGNCIAFNNQ-UHFFFAOYSA-N 0 3 218.264 0.060 20 0 BCADHN CCOC[C@H](C)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000668560802 487934227 /nfs/dbraw/zinc/93/42/27/487934227.db2.gz HUEZGPLKXXDCPL-DCAQKATOSA-N 0 3 249.376 0.967 20 0 BCADHN COCC[C@H](C)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000668560779 487934636 /nfs/dbraw/zinc/93/46/36/487934636.db2.gz HMNMFQGUDUQYNI-AXFHLTTASA-N 0 3 249.376 0.967 20 0 BCADHN CCCS(=O)(=O)N[C@@H]1CCC[C@H]1N(C)C ZINC000682256647 487935872 /nfs/dbraw/zinc/93/58/72/487935872.db2.gz MGRURPTVWJGCMG-NXEZZACHSA-N 0 3 234.365 0.799 20 0 BCADHN C[C@@H](NC[C@@H]1CCC(=O)N1)c1ccnn1C ZINC000235221843 487936604 /nfs/dbraw/zinc/93/66/04/487936604.db2.gz LPBWKKKJJCGCRX-BDAKNGLRSA-N 0 3 222.292 0.349 20 0 BCADHN Cn1cccc1C(=O)N1CCNCC1(C)C ZINC000083842512 487942078 /nfs/dbraw/zinc/94/20/78/487942078.db2.gz OVUJYBSNANSCCD-UHFFFAOYSA-N 0 3 221.304 0.849 20 0 BCADHN CC1(C)CNCCN1C(=O)c1ccc[nH]1 ZINC000083842530 487942160 /nfs/dbraw/zinc/94/21/60/487942160.db2.gz HVBKHCKWKHFLKQ-UHFFFAOYSA-N 0 3 207.277 0.839 20 0 BCADHN CC1(C)CNCCN1C(=O)C[C@H]1CCCO1 ZINC000083842510 487942517 /nfs/dbraw/zinc/94/25/17/487942517.db2.gz ZWQSCEADGRXBMJ-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](CNc1cncc(-n2cncn2)n1)N(C)C ZINC000682392953 487945665 /nfs/dbraw/zinc/94/56/65/487945665.db2.gz BTAUJZVNOABPRO-VIFPVBQESA-N 0 3 247.306 0.419 20 0 BCADHN c1ncc(CN2CCc3c[nH]nc3C2)[nH]1 ZINC000684619146 487947068 /nfs/dbraw/zinc/94/70/68/487947068.db2.gz CGWQZORACBSHGN-UHFFFAOYSA-N 0 3 203.249 0.691 20 0 BCADHN OC[C@H]1C[C@H](O)CN1Cc1ccc(O)cc1 ZINC000682407895 487949978 /nfs/dbraw/zinc/94/99/78/487949978.db2.gz XYUKMCRUIUPJCK-PWSUYJOCSA-N 0 3 223.272 0.320 20 0 BCADHN OC[C@@H]1C[C@H](O)CN1Cc1ccc(O)cc1 ZINC000682407141 487950490 /nfs/dbraw/zinc/95/04/90/487950490.db2.gz XYUKMCRUIUPJCK-JQWIXIFHSA-N 0 3 223.272 0.320 20 0 BCADHN OC[C@H]1C[C@@H](O)CN1Cc1ccc(O)cc1 ZINC000682407896 487950578 /nfs/dbraw/zinc/95/05/78/487950578.db2.gz XYUKMCRUIUPJCK-ZYHUDNBSSA-N 0 3 223.272 0.320 20 0 BCADHN Cc1ccc(CN(C[C@H](C)O)[C@H](C)CO)cn1 ZINC000682409004 487951479 /nfs/dbraw/zinc/95/14/79/487951479.db2.gz GSRXQAOHDBLJPG-NEPJUHHUSA-N 0 3 238.331 0.954 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000682418182 487952645 /nfs/dbraw/zinc/95/26/45/487952645.db2.gz MUFCCBLLKLHCNW-DCAQKATOSA-N 0 3 243.351 0.803 20 0 BCADHN CN(C)C1(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000667182329 487954854 /nfs/dbraw/zinc/95/48/54/487954854.db2.gz ZSXNBIQUDPZATB-SNVBAGLBSA-N 0 3 237.347 0.434 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@H](O)C1CC1 ZINC000667183456 487955260 /nfs/dbraw/zinc/95/52/60/487955260.db2.gz ZACFYJDAOSWKEO-MWLCHTKSSA-N 0 3 224.304 0.110 20 0 BCADHN COCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC000682422138 487956205 /nfs/dbraw/zinc/95/62/05/487956205.db2.gz KJVSRDBXMGJUBY-GMTAPVOTSA-N 0 3 226.320 0.479 20 0 BCADHN C[C@@H](Cc1ccncc1)NCc1cnnn1C ZINC000530714315 322890936 /nfs/dbraw/zinc/89/09/36/322890936.db2.gz YUHSPQUSBASKDR-JTQLQIEISA-N 0 3 231.303 0.931 20 0 BCADHN CC[C@@H](C(=O)NC1(COC)CC1)N(C)C ZINC000560851293 322992792 /nfs/dbraw/zinc/99/27/92/322992792.db2.gz BBJNACMLQNQTQL-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN CN(C)CCNC(=O)NC[C@H]1CCCO1 ZINC000074753572 323002984 /nfs/dbraw/zinc/00/29/84/323002984.db2.gz ZJAAOOCGTNMIHR-SECBINFHSA-N 0 3 215.297 0.026 20 0 BCADHN OCC1(CNCc2ccc3[nH]cnc3c2)COC1 ZINC000258953201 323007142 /nfs/dbraw/zinc/00/71/42/323007142.db2.gz JSWDJFDUMPDNNN-UHFFFAOYSA-N 0 3 247.298 0.661 20 0 BCADHN CC(C)[C@@H](CO)NC[C@@H](C)S(C)(=O)=O ZINC000564728072 323010944 /nfs/dbraw/zinc/01/09/44/323010944.db2.gz CMGKJPNQYSIUMH-RKDXNWHRSA-N 0 3 223.338 0.026 20 0 BCADHN Cc1[nH]ncc1CN1CCO[C@H](C(=O)C2CC2)C1 ZINC000562206960 323013454 /nfs/dbraw/zinc/01/34/54/323013454.db2.gz QTSUCOQMZKCAPL-LBPRGKRZSA-N 0 3 249.314 0.898 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)C2CC(=O)C2)C1 ZINC000562282314 323014900 /nfs/dbraw/zinc/01/49/00/323014900.db2.gz VBHQTMIBIJACFL-SECBINFHSA-N 0 3 224.304 0.424 20 0 BCADHN Cn1ccnc1NC(=O)C12CCCN1CCC2 ZINC000562719566 323028955 /nfs/dbraw/zinc/02/89/55/323028955.db2.gz SQMFLFZUCMBXFQ-UHFFFAOYSA-N 0 3 234.303 0.987 20 0 BCADHN C[C@H](CNC[C@@H]1CC[C@@H](C)O1)S(C)(=O)=O ZINC000564561367 323033595 /nfs/dbraw/zinc/03/35/95/323033595.db2.gz AGOYXJKENBNIHM-BBBLOLIVSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@@H](CNC[C@@H]1CC[C@@H](C)O1)S(C)(=O)=O ZINC000564561394 323033660 /nfs/dbraw/zinc/03/36/60/323033660.db2.gz AGOYXJKENBNIHM-UTLUCORTSA-N 0 3 235.349 0.577 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000565218183 323034003 /nfs/dbraw/zinc/03/40/03/323034003.db2.gz OONYCNVGYIODBQ-ZETCQYMHSA-N 0 3 249.270 0.564 20 0 BCADHN C[C@H](c1ccccc1)[C@H](O)CNC(CO)CO ZINC000569723593 323038852 /nfs/dbraw/zinc/03/88/52/323038852.db2.gz LYHUOGBWXXZRDR-ZWNOBZJWSA-N 0 3 239.315 0.094 20 0 BCADHN CC[C@H](N)C(=O)NCCCOCC(F)(F)F ZINC000569718675 323038923 /nfs/dbraw/zinc/03/89/23/323038923.db2.gz FRGJDDVAJGBXFX-ZETCQYMHSA-N 0 3 242.241 0.809 20 0 BCADHN NC(=O)[C@@]1(NCC[C@@H]2CCCCO2)CCOC1 ZINC000569738442 323039318 /nfs/dbraw/zinc/03/93/18/323039318.db2.gz CITNGBDBQSDNQF-CMPLNLGQSA-N 0 3 242.319 0.180 20 0 BCADHN CC[C@@H](NC(=O)COC1CNC1)[C@@H]1CCCO1 ZINC000569737538 323039380 /nfs/dbraw/zinc/03/93/80/323039380.db2.gz BPFJXJAUBRNLSY-MNOVXSKESA-N 0 3 242.319 0.049 20 0 BCADHN CCN(C(=O)CN1CCC(C)(C)C1)[C@@H](C)CO ZINC000569739495 323039574 /nfs/dbraw/zinc/03/95/74/323039574.db2.gz HOSWTEVKVWAZLL-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN Cn1nccc1[C@@H](CO)N[C@@H]1CCCC[C@H]1O ZINC000569743999 323039615 /nfs/dbraw/zinc/03/96/15/323039615.db2.gz IVKPBLWUHXDHJR-CKYFFXLPSA-N 0 3 239.319 0.347 20 0 BCADHN COCC1(CC(=O)N[C@@H](C)CN(C)C)CC1 ZINC000569814056 323041283 /nfs/dbraw/zinc/04/12/83/323041283.db2.gz GYOZPRURBPPFHW-JTQLQIEISA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](N)C(=O)Nc1cncnc1N1CCCC1 ZINC000570045964 323048377 /nfs/dbraw/zinc/04/83/77/323048377.db2.gz JFNICCPOBTXLGX-QMMMGPOBSA-N 0 3 235.291 0.363 20 0 BCADHN NCc1cc(C(=O)N2CCN3CCC2CC3)co1 ZINC000570089553 323049442 /nfs/dbraw/zinc/04/94/42/323049442.db2.gz RXTNFSZOJSIQAB-UHFFFAOYSA-N 0 3 249.314 0.659 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000570106071 323050118 /nfs/dbraw/zinc/05/01/18/323050118.db2.gz HEHBFKZLVLCFNS-APPZFPTMSA-N 0 3 224.308 0.373 20 0 BCADHN CN1CCC[C@@H](CNC(=O)CC(F)(F)CN)C1 ZINC000570171728 323051918 /nfs/dbraw/zinc/05/19/18/323051918.db2.gz JIKMAXHNMBTBQX-VIFPVBQESA-N 0 3 249.305 0.429 20 0 BCADHN Cc1ccsc1[C@H](CO)NCCC(N)=O ZINC000570212759 323052759 /nfs/dbraw/zinc/05/27/59/323052759.db2.gz SGDBAABSYCAVNC-QMMMGPOBSA-N 0 3 228.317 0.555 20 0 BCADHN CO[C@H](C)CN(C)CCNC(=O)NC(C)C ZINC000570275354 323054626 /nfs/dbraw/zinc/05/46/26/323054626.db2.gz DIEAMEYMWYJQRR-SNVBAGLBSA-N 0 3 231.340 0.661 20 0 BCADHN O=C(CCC1CCC1)NC[C@H]1CNCCO1 ZINC000570271875 323054773 /nfs/dbraw/zinc/05/47/73/323054773.db2.gz GLXXUMOFFGHEIA-LLVKDONJSA-N 0 3 226.320 0.671 20 0 BCADHN NC(C(=O)NCCc1cnccn1)C(F)(F)F ZINC000570330400 323056493 /nfs/dbraw/zinc/05/64/93/323056493.db2.gz QTKIFFSIZYHXHO-SSDOTTSWSA-N 0 3 248.208 0.025 20 0 BCADHN O=C(CNC1CC1)N1CCC[C@H](n2ccnn2)C1 ZINC000570391194 323058068 /nfs/dbraw/zinc/05/80/68/323058068.db2.gz NQZSCDYBCYNZGI-NSHDSACASA-N 0 3 249.318 0.194 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)CNC1CC1 ZINC000570391183 323058135 /nfs/dbraw/zinc/05/81/35/323058135.db2.gz NIBGODPNXMUALF-DTWKUNHWSA-N 0 3 242.319 0.442 20 0 BCADHN CC[C@@H](C)C[C@H](C)NC(=O)C(=O)NC1CNC1 ZINC000570501672 323061280 /nfs/dbraw/zinc/06/12/80/323061280.db2.gz OVUHYQVKIXVEFH-BDAKNGLRSA-N 0 3 241.335 0.015 20 0 BCADHN Cn1cnc(NCCN2CCCC2)cc1=O ZINC000570526908 323062337 /nfs/dbraw/zinc/06/23/37/323062337.db2.gz FECSHBWLAMAING-UHFFFAOYSA-N 0 3 222.292 0.288 20 0 BCADHN C[C@H]1CS(=O)(=O)C[C@H]1NCC1(O)CCCC1 ZINC000570564773 323063036 /nfs/dbraw/zinc/06/30/36/323063036.db2.gz FADYDSVEEGFXCL-VHSXEESVSA-N 0 3 247.360 0.314 20 0 BCADHN CC(C)[C@H](N)c1cn(CCn2cccn2)nn1 ZINC000302325592 487957337 /nfs/dbraw/zinc/95/73/37/487957337.db2.gz KEVFAGWBZHYMJP-NSHDSACASA-N 0 3 234.307 0.831 20 0 BCADHN O=C(NC[C@H]1CNCCO1)N[C@@H]1CCC[C@@H]1F ZINC000570618783 323064468 /nfs/dbraw/zinc/06/44/68/323064468.db2.gz WIMZSLIDTFTVBM-KXUCPTDWSA-N 0 3 245.298 0.165 20 0 BCADHN CO[C@@H]1CN(CCc2ccncc2C)C[C@H]1O ZINC000397547729 323066838 /nfs/dbraw/zinc/06/68/38/323066838.db2.gz PNCQVPZYVORALO-CHWSQXEVSA-N 0 3 236.315 0.624 20 0 BCADHN CCOC[C@@H](O)CNCCNC(=O)C(C)(C)C ZINC000570795514 323070659 /nfs/dbraw/zinc/07/06/59/323070659.db2.gz WXLSQPAEEDKIQO-JTQLQIEISA-N 0 3 246.351 0.136 20 0 BCADHN CN1C[C@@H](NC[C@@H](O)Cc2ccccc2)CC1=O ZINC000562987458 323078225 /nfs/dbraw/zinc/07/82/25/323078225.db2.gz PPFIJPZZRZQENE-STQMWFEESA-N 0 3 248.326 0.410 20 0 BCADHN CC[C@@](C)(CNC[C@@H](C)S(C)(=O)=O)OC ZINC000562999235 323078970 /nfs/dbraw/zinc/07/89/70/323078970.db2.gz ZVIBHMGHNANJDQ-ZJUUUORDSA-N 0 3 237.365 0.824 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)/C=C/CN(C)C)CO1 ZINC000493191148 323085492 /nfs/dbraw/zinc/08/54/92/323085492.db2.gz TYGROYALTMXFHK-CFUOYWMPSA-N 0 3 212.293 0.398 20 0 BCADHN C[C@H](C(=O)NC[C@H]1CCCN1C)N1CC(C)C1 ZINC000518792856 323085521 /nfs/dbraw/zinc/08/55/21/323085521.db2.gz VGLHKQMMVBUDMC-VXGBXAGGSA-N 0 3 239.363 0.537 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)/C=C\CN(C)C)CO1 ZINC000493191151 323085535 /nfs/dbraw/zinc/08/55/35/323085535.db2.gz TYGROYALTMXFHK-OOMSKYPHSA-N 0 3 212.293 0.398 20 0 BCADHN CN(Cc1ccon1)C(=O)C1(N)CCC1 ZINC000563081649 323088655 /nfs/dbraw/zinc/08/86/55/323088655.db2.gz MDFNRELKODRRBH-UHFFFAOYSA-N 0 3 209.249 0.514 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CCCCNC1=O ZINC000040487226 323089936 /nfs/dbraw/zinc/08/99/36/323089936.db2.gz SRUXSSHRBQXYTJ-UTLUCORTSA-N 0 3 241.335 0.145 20 0 BCADHN CC(C)(N)C(=O)NCCc1cnc(C2CC2)nc1 ZINC000563090917 323091634 /nfs/dbraw/zinc/09/16/34/323091634.db2.gz WYWTUGSYYYMRPK-UHFFFAOYSA-N 0 3 248.330 0.750 20 0 BCADHN O=C(NCc1ncccc1[O-])[C@@H]1C[C@]12CC[NH2+]C2 ZINC000563094308 323092014 /nfs/dbraw/zinc/09/20/14/323092014.db2.gz BJDVHGNVSLHCFM-ZANVPECISA-N 0 3 247.298 0.403 20 0 BCADHN CN(C)CCN(C(=O)c1ccc(N)cn1)C1CC1 ZINC000563096861 323092069 /nfs/dbraw/zinc/09/20/69/323092069.db2.gz MXHNHIRTLGNOKT-UHFFFAOYSA-N 0 3 248.330 0.830 20 0 BCADHN C[C@H](N)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000564570628 323092826 /nfs/dbraw/zinc/09/28/26/323092826.db2.gz JDSBFRVDPWLVGA-VIFPVBQESA-N 0 3 245.286 0.612 20 0 BCADHN CC[C@H](NC[C@H](O)COC)[C@H](O)C(F)(F)F ZINC000563137599 323094836 /nfs/dbraw/zinc/09/48/36/323094836.db2.gz HRUFDSPMZQWDEL-FXQIFTODSA-N 0 3 245.241 0.285 20 0 BCADHN NC(=O)CCN[C@H](CO)c1cccc(F)c1 ZINC000563144993 323095289 /nfs/dbraw/zinc/09/52/89/323095289.db2.gz YIXGMZHYLDKIHX-SNVBAGLBSA-N 0 3 226.251 0.324 20 0 BCADHN Cn1ccnc1[C@@H]1CNCCN1CCCF ZINC000563149398 323095519 /nfs/dbraw/zinc/09/55/19/323095519.db2.gz JJZBGPJMYGZMAK-JTQLQIEISA-N 0 3 226.299 0.726 20 0 BCADHN CCN(C[C@@H]1CN(C)C(=O)O1)[C@H]1CCOC1 ZINC000497086486 323097228 /nfs/dbraw/zinc/09/72/28/323097228.db2.gz ARZDBSHVUHEKEF-UWVGGRQHSA-N 0 3 228.292 0.548 20 0 BCADHN CCN(C[C@@H]1CN(C)C(=O)O1)[C@@H]1CCOC1 ZINC000497086488 323097300 /nfs/dbraw/zinc/09/73/00/323097300.db2.gz ARZDBSHVUHEKEF-ZJUUUORDSA-N 0 3 228.292 0.548 20 0 BCADHN CC1(C)CN(C(=O)c2cnccc2N)CCN1 ZINC000563160458 323097442 /nfs/dbraw/zinc/09/74/42/323097442.db2.gz NOKOEXYGVBOIAO-UHFFFAOYSA-N 0 3 234.303 0.318 20 0 BCADHN CCN1CCC[C@H](NC(=O)c2cc(C)ncn2)C1 ZINC000533942337 323098964 /nfs/dbraw/zinc/09/89/64/323098964.db2.gz AJCHGFSKQCUGNZ-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN CC[C@H](C)C[C@H](NC(=O)[C@H](C)N)C(=O)OC ZINC000563169090 323099752 /nfs/dbraw/zinc/09/97/52/323099752.db2.gz FKNVTOHKFRLLDJ-CIUDSAMLSA-N 0 3 230.308 0.428 20 0 BCADHN CCOC1CC(NC2CN(C(C)=O)C2)C1 ZINC000570985822 323103022 /nfs/dbraw/zinc/10/30/22/323103022.db2.gz PTIHSTQJVXOFQT-UHFFFAOYSA-N 0 3 212.293 0.374 20 0 BCADHN CCNS(=O)(=O)[C@H]1CCN(CC2(C)CC2)C1 ZINC000570996865 323103452 /nfs/dbraw/zinc/10/34/52/323103452.db2.gz KFZWSPQFVYCHEF-JTQLQIEISA-N 0 3 246.376 0.800 20 0 BCADHN CC(C(=O)NC1(C2CC2)CC1)S(C)(=O)=O ZINC000531867231 323118526 /nfs/dbraw/zinc/11/85/26/323118526.db2.gz GPNGJYJYJSFIPO-SSDOTTSWSA-N 0 3 231.317 0.478 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CC[C@H](O)CC1)N(C)C ZINC000245529684 323119959 /nfs/dbraw/zinc/11/99/59/323119959.db2.gz GLLBYMYYYPRTBH-DCAQKATOSA-N 0 3 228.336 0.746 20 0 BCADHN CCN(CCCC(=O)N(C)C)[C@H]1CCNC1=O ZINC000563356658 323120538 /nfs/dbraw/zinc/12/05/38/323120538.db2.gz UDRVIPNTJYVVHX-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN O=C1NCC[C@]12CCCN2CCn1ccnc1 ZINC000563365310 323121290 /nfs/dbraw/zinc/12/12/90/323121290.db2.gz QBGRMJFMCGBFDT-GFCCVEGCSA-N 0 3 234.303 0.238 20 0 BCADHN Cc1ncncc1[C@H](C)NC[C@H](O)CN(C)C ZINC000563417148 323123580 /nfs/dbraw/zinc/12/35/80/323123580.db2.gz ISTDRZPLRXVQIK-ONGXEEELSA-N 0 3 238.335 0.358 20 0 BCADHN Cc1ncncc1[C@@H](C)NC[C@]1(O)CCOC1 ZINC000563419188 323123793 /nfs/dbraw/zinc/12/37/93/323123793.db2.gz UHTQBILUBGPNEB-BXKDBHETSA-N 0 3 237.303 0.587 20 0 BCADHN O[C@@H](CNC[C@H](O)C(F)F)CC(F)(F)F ZINC000307946000 323123840 /nfs/dbraw/zinc/12/38/40/323123840.db2.gz JCGFZTDTSFUZBV-UHNVWZDZSA-N 0 3 237.168 0.515 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000563410751 323124493 /nfs/dbraw/zinc/12/44/93/323124493.db2.gz LMXIBGULFSCWGB-VHSXEESVSA-N 0 3 237.307 0.050 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000563449557 323126264 /nfs/dbraw/zinc/12/62/64/323126264.db2.gz IQFYPKZAIXNPOR-VXGBXAGGSA-N 0 3 249.314 0.346 20 0 BCADHN NC(=O)[C@@]1(NCCc2ccccc2)CCOC1 ZINC000565167855 323128274 /nfs/dbraw/zinc/12/82/74/323128274.db2.gz ZXMWABQIWRGZGZ-CYBMUJFWSA-N 0 3 234.299 0.463 20 0 BCADHN CC[C@](C)(CO)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000563546668 323129696 /nfs/dbraw/zinc/12/96/96/323129696.db2.gz INCKEJNCZPGWKC-WCQYABFASA-N 0 3 242.363 0.948 20 0 BCADHN OC[C@@H]1CCN(CCOCC2CCC2)C[C@@H]1O ZINC000563610920 323131441 /nfs/dbraw/zinc/13/14/41/323131441.db2.gz GCZGKAMEHAXHHY-STQMWFEESA-N 0 3 243.347 0.478 20 0 BCADHN CCN1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC000563635604 323133125 /nfs/dbraw/zinc/13/31/25/323133125.db2.gz IBQVZTJOJZFMMT-QMMMGPOBSA-N 0 3 238.291 0.248 20 0 BCADHN CCc1cnc(CCNC(=O)[C@H](C)NC)s1 ZINC000563637159 323133257 /nfs/dbraw/zinc/13/32/57/323133257.db2.gz MOPXYDXYTGATBG-QMMMGPOBSA-N 0 3 241.360 0.972 20 0 BCADHN C[C@H](CO)[N@@H+](Cc1ncccc1[O-])C[C@H](C)O ZINC000563656658 323133905 /nfs/dbraw/zinc/13/39/05/323133905.db2.gz OLLMKGRBZJJXTG-ZJUUUORDSA-N 0 3 240.303 0.351 20 0 BCADHN C[C@H](CO)[N@H+](Cc1ncccc1[O-])C[C@H](C)O ZINC000563656658 323133906 /nfs/dbraw/zinc/13/39/06/323133906.db2.gz OLLMKGRBZJJXTG-ZJUUUORDSA-N 0 3 240.303 0.351 20 0 BCADHN CCO[C@@H]1C[C@H](NCCC(N)=O)[C@@]12CCCO2 ZINC000571075854 323134945 /nfs/dbraw/zinc/13/49/45/323134945.db2.gz DQMWFOOVSDKKJK-UMNHJUIQSA-N 0 3 242.319 0.178 20 0 BCADHN OCc1ccc(CN2CC[C@H](c3nnc[nH]3)C2)o1 ZINC000572836080 323136199 /nfs/dbraw/zinc/13/61/99/323136199.db2.gz ITOBJUBCZMKLMT-VIFPVBQESA-N 0 3 248.286 0.880 20 0 BCADHN CC[C@H](O)CCNC(=O)CN1CCC(C)(C)C1 ZINC000571224064 323138719 /nfs/dbraw/zinc/13/87/19/323138719.db2.gz PMMNAXDSIMAQKG-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@@H](O)CCNC(=O)CN1CCC(C)(C)C1 ZINC000571224063 323138768 /nfs/dbraw/zinc/13/87/68/323138768.db2.gz PMMNAXDSIMAQKG-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN COC[C@H](CCO)N[C@@H](C)c1cncnc1C ZINC000571416986 323144253 /nfs/dbraw/zinc/14/42/53/323144253.db2.gz MZKAJAYPERVBLY-QWRGUYRKSA-N 0 3 239.319 0.833 20 0 BCADHN COC[C@H](CCO)N[C@H](C)c1cncnc1C ZINC000571416985 323144377 /nfs/dbraw/zinc/14/43/77/323144377.db2.gz MZKAJAYPERVBLY-MNOVXSKESA-N 0 3 239.319 0.833 20 0 BCADHN CN(C)c1cccc(CNCCC(N)=O)c1 ZINC000571432751 323144585 /nfs/dbraw/zinc/14/45/85/323144585.db2.gz GVHUVGIGPMDXTO-UHFFFAOYSA-N 0 3 221.304 0.718 20 0 BCADHN CC(C)N(C(=O)CN1CC[C@H](C)C1)C1COC1 ZINC000571533748 323147219 /nfs/dbraw/zinc/14/72/19/323147219.db2.gz BDOZCDPSIZBYME-NSHDSACASA-N 0 3 240.347 0.964 20 0 BCADHN COc1ccc(F)c(N2CC(N(C)C)C2)n1 ZINC000571539612 323147679 /nfs/dbraw/zinc/14/76/79/323147679.db2.gz YIDQVWDOQULCIV-UHFFFAOYSA-N 0 3 225.267 0.980 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc2c(c1)CCN2 ZINC000571633978 323150240 /nfs/dbraw/zinc/15/02/40/323150240.db2.gz IVUBRVPVSJINOY-NSHDSACASA-N 0 3 235.287 0.567 20 0 BCADHN CSC[C@@H](CCO)NC[C@H](O)C(F)(F)F ZINC000571643027 323150671 /nfs/dbraw/zinc/15/06/71/323150671.db2.gz XNSLEZIVDJNVFJ-RQJHMYQMSA-N 0 3 247.282 0.613 20 0 BCADHN CCOC1(C)CN(C(=O)CN(C)C(C)C)C1 ZINC000452288351 323151694 /nfs/dbraw/zinc/15/16/94/323151694.db2.gz XVNNEXLFFGJBCJ-UHFFFAOYSA-N 0 3 228.336 0.964 20 0 BCADHN COc1ccc(C(=O)NC[C@@H]2CCCN2C)cn1 ZINC000049096098 323157504 /nfs/dbraw/zinc/15/75/04/323157504.db2.gz VLGPELLTRPAMMM-NSHDSACASA-N 0 3 249.314 0.914 20 0 BCADHN CN1CCC[C@@H]1CNc1ccc2nnnn2n1 ZINC000049099923 323157641 /nfs/dbraw/zinc/15/76/41/323157641.db2.gz WACDNJTVEBJACE-MRVPVSSYSA-N 0 3 233.279 0.025 20 0 BCADHN Cc1cc(C(=O)NCCN2CC[C@H](C)C2)ncn1 ZINC000534654644 323157797 /nfs/dbraw/zinc/15/77/97/323157797.db2.gz HMJPKAGYWLFXKI-JTQLQIEISA-N 0 3 248.330 0.857 20 0 BCADHN CC[C@@H](C(=O)NCCN1CC[C@H](C)C1)N(C)C ZINC000531959096 323157917 /nfs/dbraw/zinc/15/79/17/323157917.db2.gz OWWZPLGVRJUMPL-RYUDHWBXSA-N 0 3 241.379 0.785 20 0 BCADHN CC(C)(N)C(=O)NCCCOC[C@@H]1CCCO1 ZINC000040925133 323158318 /nfs/dbraw/zinc/15/83/18/323158318.db2.gz OQRVQYKKIBIQGE-JTQLQIEISA-N 0 3 244.335 0.426 20 0 BCADHN CC[C@H]([NH3+])CNC(=O)c1ccc(OC)cc1[O-] ZINC000111303771 323158676 /nfs/dbraw/zinc/15/86/76/323158676.db2.gz CPBCOQOCRMUDTN-QMMMGPOBSA-N 0 3 238.287 0.868 20 0 BCADHN CC[C@@H]([NH3+])CNC(=O)c1ccc(OC)cc1[O-] ZINC000111303773 323158732 /nfs/dbraw/zinc/15/87/32/323158732.db2.gz CPBCOQOCRMUDTN-MRVPVSSYSA-N 0 3 238.287 0.868 20 0 BCADHN CC[C@@H]([NH3+])CNC(=O)c1cc(OC)ccc1[O-] ZINC000111303601 323158743 /nfs/dbraw/zinc/15/87/43/323158743.db2.gz JJYKXEOQOJNSST-MRVPVSSYSA-N 0 3 238.287 0.868 20 0 BCADHN CN1CCC[C@@H](CNC(=O)C2(O)CCCC2)C1 ZINC000303974880 323162417 /nfs/dbraw/zinc/16/24/17/323162417.db2.gz BBLLNTQUEHHEHK-NSHDSACASA-N 0 3 240.347 0.750 20 0 BCADHN CC(C)CO[C@H]1CCN(CC2(CO)COC2)C1 ZINC000305059626 323166857 /nfs/dbraw/zinc/16/68/57/323166857.db2.gz PNHSWSWBUHAEGK-LBPRGKRZSA-N 0 3 243.347 0.742 20 0 BCADHN COCC[C@@H](C)NC[C@H](C)S(C)(=O)=O ZINC000308548933 323175273 /nfs/dbraw/zinc/17/52/73/323175273.db2.gz WQWRJBDOGYULAR-BDAKNGLRSA-N 0 3 223.338 0.434 20 0 BCADHN C[C@@H](CNC(=O)C1(N)CCC1)Cn1ccnc1 ZINC000563813754 323178861 /nfs/dbraw/zinc/17/88/61/323178861.db2.gz OUKIPOZIZHYAAN-JTQLQIEISA-N 0 3 236.319 0.517 20 0 BCADHN NC(=O)C1(NC[C@@H]2CCCC[C@H]2O)CC1 ZINC000563813426 323178868 /nfs/dbraw/zinc/17/88/68/323178868.db2.gz BNSOYNQRKVZLOX-DTWKUNHWSA-N 0 3 212.293 0.145 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1CCCOCC1 ZINC000308824599 323179378 /nfs/dbraw/zinc/17/93/78/323179378.db2.gz HNRPOVXUJJASOY-SNVBAGLBSA-N 0 3 214.309 0.670 20 0 BCADHN OCC[C@]1(CNCC2(F)CC2)CCOC1 ZINC000308879525 323180535 /nfs/dbraw/zinc/18/05/35/323180535.db2.gz PDOFCINVXXKDCI-SNVBAGLBSA-N 0 3 217.284 0.867 20 0 BCADHN C[C@@H](NC1(C(N)=O)CC1)[C@H]1CCCOC1 ZINC000308977018 323183145 /nfs/dbraw/zinc/18/31/45/323183145.db2.gz GXBZYNSZOXCHFR-BDAKNGLRSA-N 0 3 212.293 0.409 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)[C@H](O)C1CC1 ZINC000668575663 487957465 /nfs/dbraw/zinc/95/74/65/487957465.db2.gz MENYQLBHDDNMAQ-NWDGAFQWSA-N 0 3 240.347 0.748 20 0 BCADHN CC(C)NC(=O)CN1C[C@@H](C)C[C@H](CO)C1 ZINC000398627116 323187407 /nfs/dbraw/zinc/18/74/07/323187407.db2.gz MTYWLBJDPZNBMM-QWRGUYRKSA-N 0 3 228.336 0.461 20 0 BCADHN COc1nccc(CNC[C@@](C)(O)C(C)C)n1 ZINC000395118759 323187756 /nfs/dbraw/zinc/18/77/56/323187756.db2.gz IQSSGHPBBBNVID-GFCCVEGCSA-N 0 3 239.319 0.982 20 0 BCADHN CCN(C(=O)[C@@H]1CN2CCN1CCC2)C(C)C ZINC000535714760 323189106 /nfs/dbraw/zinc/18/91/06/323189106.db2.gz CCPAMHRZQSJDSM-LBPRGKRZSA-N 0 3 239.363 0.633 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H](CO)[C@@H]1C ZINC000395158655 323189421 /nfs/dbraw/zinc/18/94/21/323189421.db2.gz CUDDEFILOLFUBA-UWVGGRQHSA-N 0 3 214.309 0.167 20 0 BCADHN NC(=O)[C@H]1CCN(Cc2ccc(CO)o2)C1 ZINC000535775845 323191089 /nfs/dbraw/zinc/19/10/89/323191089.db2.gz NIYCDYOLWBDIPR-QMMMGPOBSA-N 0 3 224.260 0.079 20 0 BCADHN Cn1ncc2c1ncnc2NC1CCN(C)CC1 ZINC000037250570 323201312 /nfs/dbraw/zinc/20/13/12/323201312.db2.gz GDYMBJOOFNHTDQ-UHFFFAOYSA-N 0 3 246.318 0.869 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1CCc1cnn(C)c1 ZINC000399302443 323203403 /nfs/dbraw/zinc/20/34/03/323203403.db2.gz XSDUQBKGSKAHHK-ZYHUDNBSSA-N 0 3 223.320 0.808 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1CCc1cn[nH]c1 ZINC000399330212 323204026 /nfs/dbraw/zinc/20/40/26/323204026.db2.gz OEHRRXRVEKIKLM-MWLCHTKSSA-N 0 3 209.293 0.797 20 0 BCADHN C[C@H]1CCN(CC(=O)NCC[C@H]2CCOC2)C1 ZINC000563897354 323205602 /nfs/dbraw/zinc/20/56/02/323205602.db2.gz VVJCCPLRPTYFAJ-RYUDHWBXSA-N 0 3 240.347 0.871 20 0 BCADHN Cc1nccnc1[C@H](C)NC[C@@H]1COCCN1 ZINC000530228032 323219336 /nfs/dbraw/zinc/21/93/36/323219336.db2.gz XQEJODUPDKYUBJ-WDEREUQCSA-N 0 3 236.319 0.424 20 0 BCADHN CC[C@H](NCc1ccnc(OC)n1)[C@H](C)O ZINC000395226092 323222030 /nfs/dbraw/zinc/22/20/30/323222030.db2.gz OCMSRQZUDZZXRA-WPRPVWTQSA-N 0 3 225.292 0.734 20 0 BCADHN C[C@H](N)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000083886252 487957535 /nfs/dbraw/zinc/95/75/35/487957535.db2.gz OZRNQQWEUDBWQK-ZETCQYMHSA-N 0 3 233.271 0.258 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NC[C@@H](O)C(C)(C)C ZINC000324438462 323233901 /nfs/dbraw/zinc/23/39/01/323233901.db2.gz RYSHBLWHGVMIHV-PSASIEDQSA-N 0 3 228.336 0.650 20 0 BCADHN Cc1nnc([C@@H](C)NC(=O)CN(C)C(C)C)o1 ZINC000532357129 323255005 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FGUPBGVWOKWLLE-UHFFFAOYSA-N 0 3 246.376 0.943 20 0 BCADHN C[C@@H](O)CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000532864862 323303625 /nfs/dbraw/zinc/30/36/25/323303625.db2.gz ULLVJOHYPKVAAO-GMTAPVOTSA-N 0 3 228.336 0.746 20 0 BCADHN CO[C@H](C(=O)NC[C@H]1CCCN(C)C1)C1CC1 ZINC000526875082 323305034 /nfs/dbraw/zinc/30/50/34/323305034.db2.gz GHRMDZHDNJKATD-PWSUYJOCSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H](N[C@H]1CN(C)C[C@H]1C)C(=O)N(C)C ZINC000309082057 323314747 /nfs/dbraw/zinc/31/47/47/323314747.db2.gz RDDKQEOPPVHCFX-BBBLOLIVSA-N 0 3 213.325 0.003 20 0 BCADHN CC[C@@H]1OCC[C@H]1NC[C@H](C)S(C)(=O)=O ZINC000563952561 323333684 /nfs/dbraw/zinc/33/36/84/323333684.db2.gz LHKFENWLFWSVMB-AEJSXWLSSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@@H](O)[C@@H]1CCCN(CC(=O)N(C)C)C1 ZINC000305198360 323343040 /nfs/dbraw/zinc/34/30/40/323343040.db2.gz UVELSNJVOQFSLL-NXEZZACHSA-N 0 3 214.309 0.167 20 0 BCADHN CC(C)COCCN1CC[C@H](CO)[C@H](O)C1 ZINC000571679492 323343153 /nfs/dbraw/zinc/34/31/53/323343153.db2.gz 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324135216 /nfs/dbraw/zinc/13/52/16/324135216.db2.gz GCWFBZCYLATYRO-UHFFFAOYSA-N 0 3 232.291 0.630 20 0 BCADHN CCn1nncc1CN1CCN(C)CC1(C)C ZINC000459367542 324146068 /nfs/dbraw/zinc/14/60/68/324146068.db2.gz FQDBNIJBJMDKJG-UHFFFAOYSA-N 0 3 237.351 0.824 20 0 BCADHN CC(C)[C@@H](C(=O)N1CCC[C@H](CO)C1)N(C)C ZINC000162966720 324175019 /nfs/dbraw/zinc/17/50/19/324175019.db2.gz NEYFVEOLADVTCA-RYUDHWBXSA-N 0 3 242.363 0.804 20 0 BCADHN NC(=O)[C@]1(NCCCc2ccncc2)CCOC1 ZINC000521639279 324186178 /nfs/dbraw/zinc/18/61/78/324186178.db2.gz CCVYSDOFHGAPOQ-ZDUSSCGKSA-N 0 3 249.314 0.248 20 0 BCADHN C[C@@H]1CN(CCN2CCC[C@@](C)(O)C2)CCO1 ZINC000192782084 324199992 /nfs/dbraw/zinc/19/99/92/324199992.db2.gz ZHMCDHFAOGRMGK-CHWSQXEVSA-N 0 3 242.363 0.554 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000229243033 324203967 /nfs/dbraw/zinc/20/39/67/324203967.db2.gz LBPOXDWDKJUCQY-YIZRAAEISA-N 0 3 228.292 0.052 20 0 BCADHN CO[C@@H]1CC[C@H](N[C@@H](C)CS(C)(=O)=O)C1 ZINC000231691166 324206805 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20 0 BCADHN CN[C@@H](C)C(=O)NCCCNC(=O)C1CCC1 ZINC000567366573 326175486 /nfs/dbraw/zinc/17/54/86/326175486.db2.gz CNUNNBQZPLJJGL-VIFPVBQESA-N 0 3 241.335 0.017 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCCOC2)C1 ZINC000567365650 326175540 /nfs/dbraw/zinc/17/55/40/326175540.db2.gz IEMZVVNFAWXNJB-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN COc1ccnc(NC(=O)[C@@H](CN)OC)c1 ZINC000567499282 326204751 /nfs/dbraw/zinc/20/47/51/326204751.db2.gz QHKXJXZCDPBHIF-MRVPVSSYSA-N 0 3 225.248 0.002 20 0 BCADHN COC[C@H](CCO)NCc1cnc(C)n1C ZINC000567522445 326210204 /nfs/dbraw/zinc/21/02/04/326210204.db2.gz QOWXCCYZYOZEHX-JTQLQIEISA-N 0 3 227.308 0.216 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)CN(CC)CC ZINC000155784692 326212195 /nfs/dbraw/zinc/21/21/95/326212195.db2.gz UEIBHVZHBXZKCW-MNOVXSKESA-N 0 3 230.352 0.851 20 0 BCADHN CC[C@H](O)CC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000567557951 326216659 /nfs/dbraw/zinc/21/66/59/326216659.db2.gz YHTGGMVAFKHTKG-NWDGAFQWSA-N 0 3 240.347 0.700 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2ccncn2)C1 ZINC000567560548 326217223 /nfs/dbraw/zinc/21/72/23/326217223.db2.gz PUZMLIVQZLFAQL-SNVBAGLBSA-N 0 3 234.303 0.548 20 0 BCADHN COc1ccc(CNC[C@H](C)O)c(OC)n1 ZINC000567707670 326249133 /nfs/dbraw/zinc/24/91/33/326249133.db2.gz BBHYYBRXVWELMC-QMMMGPOBSA-N 0 3 226.276 0.569 20 0 BCADHN Cn1nncc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000567796314 326258986 /nfs/dbraw/zinc/25/89/86/326258986.db2.gz SFADPDYPKAUQCY-KOLCDFICSA-N 0 3 222.292 0.426 20 0 BCADHN Cc1c[nH]c(NC(=O)CNC[C@H]2CCCO2)n1 ZINC000567819160 326262764 /nfs/dbraw/zinc/26/27/64/326262764.db2.gz VNRNVNAFMIZIJI-SECBINFHSA-N 0 3 238.291 0.425 20 0 BCADHN C[NH2+]C[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC000567822069 326263505 /nfs/dbraw/zinc/26/35/05/326263505.db2.gz WDNIYUJHJCFJAA-MRVPVSSYSA-N 0 3 223.276 0.259 20 0 BCADHN CC(C)([NH3+])C[N-]S(=O)(=O)c1cscn1 ZINC000567850874 326270586 /nfs/dbraw/zinc/27/05/86/326270586.db2.gz YDIQCISLSSPBNP-UHFFFAOYSA-N 0 3 235.334 0.159 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000567925861 326284151 /nfs/dbraw/zinc/28/41/51/326284151.db2.gz WJXOEHXRQDTBHX-OUAUKWLOSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H](N)C(=O)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000567925859 326284222 /nfs/dbraw/zinc/28/42/22/326284222.db2.gz WJXOEHXRQDTBHX-GMTAPVOTSA-N 0 3 226.320 0.751 20 0 BCADHN Cc1nc(NC(=O)[C@H]2CCN(C)C2)nn1C ZINC000567936335 326285350 /nfs/dbraw/zinc/28/53/50/326285350.db2.gz RYWLZZBDMYMPDD-QMMMGPOBSA-N 0 3 223.280 0.014 20 0 BCADHN CN1CC[C@@H](CNC(=O)[C@H]2CCC(=O)C2)C1 ZINC000567943343 326286227 /nfs/dbraw/zinc/28/62/27/326286227.db2.gz HROWRFMZOZRLTP-UWVGGRQHSA-N 0 3 224.304 0.424 20 0 BCADHN CCN(CCO)CCNC(=O)C1(CF)CCC1 ZINC000567949289 326287206 /nfs/dbraw/zinc/28/72/06/326287206.db2.gz YHZQZFOSXGJSJU-UHFFFAOYSA-N 0 3 246.326 0.557 20 0 BCADHN C[C@@H](C(=O)NCCN(C)C)C1CCOCC1 ZINC000157757822 326294360 /nfs/dbraw/zinc/29/43/60/326294360.db2.gz VROHJGGZVLJXED-SNVBAGLBSA-N 0 3 228.336 0.727 20 0 BCADHN C[C@H](N)C(=O)N1CCCC[C@H]1c1ccnn1C ZINC000568151511 326313779 /nfs/dbraw/zinc/31/37/79/326313779.db2.gz DBCAXSJVENUPCY-ONGXEEELSA-N 0 3 236.319 0.821 20 0 BCADHN CNC(=O)CCCN1CC[C@](C)(F)C1 ZINC000568168204 326318704 /nfs/dbraw/zinc/31/87/04/326318704.db2.gz ZXIQVEVASNKNMS-JTQLQIEISA-N 0 3 202.273 0.947 20 0 BCADHN CO[C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC000568191810 326324095 /nfs/dbraw/zinc/32/40/95/326324095.db2.gz TXBFSGXOVGPQJS-MNOVXSKESA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](Cc1c[nH]cn1)C(=O)N(C)CCN(C)C ZINC000568201796 326325306 /nfs/dbraw/zinc/32/53/06/326325306.db2.gz ZRLYBAJZRGJYIU-JTQLQIEISA-N 0 3 238.335 0.608 20 0 BCADHN C[C@@H](O)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC000568206114 326326239 /nfs/dbraw/zinc/32/62/39/326326239.db2.gz CSDKUZSNNCGUNN-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)C(C)(C)CO)[C@@H]2C1 ZINC000568228280 326329913 /nfs/dbraw/zinc/32/99/13/326329913.db2.gz UPAJXOCPWKSMCF-WDEREUQCSA-N 0 3 240.347 0.558 20 0 BCADHN CCCN(C)CC(=O)N1Cc2cncnc2C1 ZINC000568230072 326330078 /nfs/dbraw/zinc/33/00/78/326330078.db2.gz OECKFNDCIJVMIU-UHFFFAOYSA-N 0 3 234.303 0.661 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cccc(N(C)C)n1 ZINC000568231504 326330494 /nfs/dbraw/zinc/33/04/94/326330494.db2.gz WBEBIEHWYJBAHY-VIFPVBQESA-N 0 3 236.319 0.372 20 0 BCADHN CCN1CCC(NC(=O)C(C)(C)CO)CC1 ZINC000568410841 326355356 /nfs/dbraw/zinc/35/53/56/326355356.db2.gz ZPTSNVBVUFHULG-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN CCOCC[C@H](O)CNCc1cnn(C)c1C ZINC000568501862 326357998 /nfs/dbraw/zinc/35/79/98/326357998.db2.gz GIPCZWGSROJXCY-LBPRGKRZSA-N 0 3 241.335 0.606 20 0 BCADHN C[C@@H]1C[C@H](C)N1CCN1C(=O)N[C@@H](C)C1=O ZINC000568482755 326358809 /nfs/dbraw/zinc/35/88/09/326358809.db2.gz MOWGVNVYCJOHOQ-YIZRAAEISA-N 0 3 225.292 0.409 20 0 BCADHN CCc1ccnc(CNC(=O)C(C)(C)N)c1 ZINC000568508852 326360894 /nfs/dbraw/zinc/36/08/94/326360894.db2.gz QKJFSAVDYLDHNN-UHFFFAOYSA-N 0 3 221.304 0.998 20 0 BCADHN C[C@H]1CCN(CC(=O)N(CCO)C2CCC2)C1 ZINC000568528428 326363049 /nfs/dbraw/zinc/36/30/49/326363049.db2.gz AWRPGABBWHAFCK-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN CSCCCCC(=O)NC[C@H]1CNCCO1 ZINC000568618093 326367759 /nfs/dbraw/zinc/36/77/59/326367759.db2.gz ITORTOWNEIXPJH-SNVBAGLBSA-N 0 3 246.376 0.624 20 0 BCADHN Cc1cc(N)cc(CNC(=O)COC2CNC2)c1 ZINC000568630126 326368897 /nfs/dbraw/zinc/36/88/97/326368897.db2.gz PPJPMTVNUPZGMD-UHFFFAOYSA-N 0 3 249.314 0.182 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cn2ccc(C)cc2n1 ZINC000568662957 326371526 /nfs/dbraw/zinc/37/15/26/326371526.db2.gz OVUODOXGZCPUDW-JTQLQIEISA-N 0 3 246.314 0.867 20 0 BCADHN OC[C@@H](CNC[C@H](O)C(F)(F)F)C1CC1 ZINC000568762187 326375810 /nfs/dbraw/zinc/37/58/10/326375810.db2.gz ZVTFIGGNLRYZLO-SFYZADRCSA-N 0 3 227.226 0.518 20 0 BCADHN Cc1nc(C(C)(C)NC(=O)CNC2CC2)no1 ZINC000568856911 326379294 /nfs/dbraw/zinc/37/92/94/326379294.db2.gz YGVPAVJGAJLSOX-UHFFFAOYSA-N 0 3 238.291 0.481 20 0 BCADHN CC(C)CCCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000568898075 326381853 /nfs/dbraw/zinc/38/18/53/326381853.db2.gz BOSYYBNPQLUXMP-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN c1[nH]c2nccnc2c1CNC[C@@H]1COCCO1 ZINC000568982574 326384463 /nfs/dbraw/zinc/38/44/63/326384463.db2.gz AIEUTJIOBWEGMQ-SNVBAGLBSA-N 0 3 248.286 0.415 20 0 BCADHN CC[C@H](COC)N[C@@H]1COC[C@H]1OC ZINC000569003597 326386376 /nfs/dbraw/zinc/38/63/76/326386376.db2.gz PGRRTGYNBISTSC-OPRDCNLKSA-N 0 3 203.282 0.415 20 0 BCADHN CNC(=O)CCCN1CCCOCC1 ZINC000569017242 326387110 /nfs/dbraw/zinc/38/71/10/326387110.db2.gz ICMNJZDRJJOJJD-UHFFFAOYSA-N 0 3 200.282 0.235 20 0 BCADHN CCN(CC)C(=O)CN1CCNC[C@@H]1C(F)F ZINC000569104265 326390164 /nfs/dbraw/zinc/39/01/64/326390164.db2.gz BFYDTYPBUIFEHJ-SECBINFHSA-N 0 3 249.305 0.394 20 0 BCADHN COCCN(CCN(C)C)C(=O)[C@@]1(C)C[C@@H]1F ZINC000569123009 326391726 /nfs/dbraw/zinc/39/17/26/326391726.db2.gz JDECBMAIWOXASD-JQWIXIFHSA-N 0 3 246.326 0.771 20 0 BCADHN CCO[C@@H]1C[C@@H]1NC(=O)CN1CC[C@@H](C)C1 ZINC000569138328 326392662 /nfs/dbraw/zinc/39/26/62/326392662.db2.gz QHTRQGCUUFXSDL-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN CN1CCC[C@H](N[C@H]2COCC2(C)C)C1=O ZINC000569316704 326399759 /nfs/dbraw/zinc/39/97/59/326399759.db2.gz WJDBRFZAWQEOCX-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN CCOCC[C@@H](O)CN[C@H](CO)CC(F)F ZINC000572960467 326421094 /nfs/dbraw/zinc/42/10/94/326421094.db2.gz AQQAXSFHQMXGJU-DTWKUNHWSA-N 0 3 241.278 0.380 20 0 BCADHN CC1(C)[C@H](NC(=O)C2(N)CCC2)[C@H]2CCO[C@H]21 ZINC000572958000 326421109 /nfs/dbraw/zinc/42/11/09/326421109.db2.gz ARXZQHBFBJWATK-OPRDCNLKSA-N 0 3 238.331 0.798 20 0 BCADHN COCCN1CCC[C@@H](n2ccnn2)C1 ZINC000425507856 487973777 /nfs/dbraw/zinc/97/37/77/487973777.db2.gz NCBRBICDGQDCON-SNVBAGLBSA-N 0 3 210.281 0.561 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000653204805 487974729 /nfs/dbraw/zinc/97/47/29/487974729.db2.gz GSOXPJAYJNFSAJ-SCZZXKLOSA-N 0 3 219.288 0.487 20 0 BCADHN N[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C1CCC1 ZINC000653204316 487974736 /nfs/dbraw/zinc/97/47/36/487974736.db2.gz SHXNWGQZRGLMBE-ZNSHCXBVSA-N 0 3 224.304 0.550 20 0 BCADHN CCNCc1ccc(S(N)(=O)=O)o1 ZINC000083967798 487975822 /nfs/dbraw/zinc/97/58/22/487975822.db2.gz ILYNNVIXSDBLJB-UHFFFAOYSA-N 0 3 204.251 0.037 20 0 BCADHN C[C@H](NC[C@@H]1CCC(=O)N1)c1ccnn1C ZINC000235522285 487976676 /nfs/dbraw/zinc/97/66/76/487976676.db2.gz LPBWKKKJJCGCRX-IUCAKERBSA-N 0 3 222.292 0.349 20 0 BCADHN CCCCC(=O)N[C@@H](CO)CN(C)C ZINC000673521177 487977410 /nfs/dbraw/zinc/97/74/10/487977410.db2.gz AIECQPUPDKNBPX-SECBINFHSA-N 0 3 202.298 0.215 20 0 BCADHN CCn1ncnc1CNC[C@@H](C)N(C)C ZINC000083977950 487979032 /nfs/dbraw/zinc/97/90/32/487979032.db2.gz VFTCPDDFAYYCDT-SECBINFHSA-N 0 3 211.313 0.338 20 0 BCADHN CCN1CCN(c2ncnc3nc[nH]c32)C[C@@H]1C ZINC000677152252 487984620 /nfs/dbraw/zinc/98/46/20/487984620.db2.gz AQGRKBNYIFGPAZ-VIFPVBQESA-N 0 3 246.318 0.883 20 0 BCADHN CCN1CCN(c2ncnc3[nH]cnc32)C[C@@H]1C ZINC000677152252 487984625 /nfs/dbraw/zinc/98/46/25/487984625.db2.gz AQGRKBNYIFGPAZ-VIFPVBQESA-N 0 3 246.318 0.883 20 0 BCADHN Cc1cc(CN[C@H]2CCC(=O)NC2(C)C)n[nH]1 ZINC000669998641 487986773 /nfs/dbraw/zinc/98/67/73/487986773.db2.gz WJLZTZTWAOWQRN-JTQLQIEISA-N 0 3 236.319 0.865 20 0 BCADHN Cc1cc(CN[C@H]2CCC(=O)NC2(C)C)[nH]n1 ZINC000669998641 487986779 /nfs/dbraw/zinc/98/67/79/487986779.db2.gz WJLZTZTWAOWQRN-JTQLQIEISA-N 0 3 236.319 0.865 20 0 BCADHN CCN1CCN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC000677171050 487987545 /nfs/dbraw/zinc/98/75/45/487987545.db2.gz CBKXMXPHIZQKGW-NEPJUHHUSA-N 0 3 239.363 0.633 20 0 BCADHN CC[C@H](C(=O)N1CCN(CC)[C@@H](C)C1)N(C)C ZINC000677182363 487993433 /nfs/dbraw/zinc/99/34/33/487993433.db2.gz FYMNVDQEHAAIPN-NWDGAFQWSA-N 0 3 241.379 0.879 20 0 BCADHN CC(C)OCCNC(=O)C1(N)CCC1 ZINC000159141585 487994844 /nfs/dbraw/zinc/99/48/44/487994844.db2.gz GITQYHDXXSCBEV-UHFFFAOYSA-N 0 3 200.282 0.409 20 0 BCADHN CCN1CCN(CCN2CCCC2=O)C[C@H]1C ZINC000677191261 487994571 /nfs/dbraw/zinc/99/45/71/487994571.db2.gz DVMNGDPKPLKLTP-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN CC(C(=O)N1CCC2(CC2)CC1)S(C)(=O)=O ZINC000370867685 487994960 /nfs/dbraw/zinc/99/49/60/487994960.db2.gz CIGJXXIFCVSQDU-VIFPVBQESA-N 0 3 245.344 0.822 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCN(C)C(=O)C1 ZINC000682602092 487995533 /nfs/dbraw/zinc/99/55/33/487995533.db2.gz WPISURXFVLWGMK-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CC=CCC1 ZINC000673523282 487997843 /nfs/dbraw/zinc/99/78/43/487997843.db2.gz JSJSUAXYJGFAHL-WDEREUQCSA-N 0 3 226.320 0.381 20 0 BCADHN CC(C)(C)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC000220761566 487998028 /nfs/dbraw/zinc/99/80/28/487998028.db2.gz OOAKHKZGIDNBPU-VIFPVBQESA-N 0 3 234.365 0.656 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CC=CCC1 ZINC000673523279 487998094 /nfs/dbraw/zinc/99/80/94/487998094.db2.gz JSJSUAXYJGFAHL-QWRGUYRKSA-N 0 3 226.320 0.381 20 0 BCADHN CCc1nc(Cn2cc([C@H](N)CC)nn2)no1 ZINC000229933966 487999572 /nfs/dbraw/zinc/99/95/72/487999572.db2.gz GYSQBFIGECMVEK-SSDOTTSWSA-N 0 3 236.279 0.682 20 0 BCADHN CCCn1ncnc1Cn1cc([C@@H](N)CC)nn1 ZINC000229934555 487999740 /nfs/dbraw/zinc/99/97/40/487999740.db2.gz PMCHJJKFBLRDRV-VIFPVBQESA-N 0 3 249.322 0.738 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)COC2(C)CNC2)CCO1 ZINC000235664401 488000812 /nfs/dbraw/zinc/00/08/12/488000812.db2.gz JUQUSFVIUJNICT-UWVGGRQHSA-N 0 3 242.319 0.049 20 0 BCADHN CCCNC(=O)[C@H](C)n1cc([C@@H](N)CC)nn1 ZINC000229935410 488001167 /nfs/dbraw/zinc/00/11/67/488001167.db2.gz FXONKMYAALFGMU-IUCAKERBSA-N 0 3 239.323 0.775 20 0 BCADHN CC[C@@H](N)c1cn(C[C@H](O)COC(C)C)nn1 ZINC000229935875 488001714 /nfs/dbraw/zinc/00/17/14/488001714.db2.gz AHIFSBOVBIRANY-VHSXEESVSA-N 0 3 242.323 0.474 20 0 BCADHN CN(C)CCOCCNC(=O)N1CC=CCC1 ZINC000682614985 488002463 /nfs/dbraw/zinc/00/24/63/488002463.db2.gz VXRLXXBLRWHJBQ-UHFFFAOYSA-N 0 3 241.335 0.536 20 0 BCADHN CC[C@H](N)c1cn(CCOCCOC)nn1 ZINC000229948459 488006608 /nfs/dbraw/zinc/00/66/08/488006608.db2.gz DKEDBJSDFGNNKL-VIFPVBQESA-N 0 3 228.296 0.351 20 0 BCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H](O)C1CC1 ZINC000669120320 488007617 /nfs/dbraw/zinc/00/76/17/488007617.db2.gz UIONCZLBZINKJE-JLLWLGSASA-N 0 3 240.347 0.556 20 0 BCADHN CC[C@H](N)c1cn(CCCn2ccnc2)nn1 ZINC000229949653 488007821 /nfs/dbraw/zinc/00/78/21/488007821.db2.gz QDGUBKAHZMKACH-JTQLQIEISA-N 0 3 234.307 0.975 20 0 BCADHN CCC[C@H](N)c1cn(CCOCCO)nn1 ZINC000229953113 488008306 /nfs/dbraw/zinc/00/83/06/488008306.db2.gz OMQGQGRLOTUTOA-VIFPVBQESA-N 0 3 228.296 0.087 20 0 BCADHN CCC[C@@H](N)c1cn(C[C@H](O)COCC)nn1 ZINC000229957399 488010240 /nfs/dbraw/zinc/01/02/40/488010240.db2.gz ZDJNEVGTAFMNAU-VHSXEESVSA-N 0 3 242.323 0.475 20 0 BCADHN CC1(C)C[C@@H](N[C@H]2CCCS(=O)(=O)C2)CO1 ZINC000396792568 488011012 /nfs/dbraw/zinc/01/10/12/488011012.db2.gz UDOKDQSSEWEDJT-VHSXEESVSA-N 0 3 247.360 0.721 20 0 BCADHN Cn1ncc(C2CC2)c1CN1CC[C@H](C(N)=O)C1 ZINC000667470782 488016268 /nfs/dbraw/zinc/01/62/68/488016268.db2.gz LDOPPFUTCKCHAJ-JTQLQIEISA-N 0 3 248.330 0.605 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2ncccn2)nn1 ZINC000229965972 488016403 /nfs/dbraw/zinc/01/64/03/488016403.db2.gz HAZLARBJKKOQTH-SECBINFHSA-N 0 3 232.291 0.916 20 0 BCADHN CCC[C@H](N)c1cn(Cc2cnn(C)c2)nn1 ZINC000229959138 488015988 /nfs/dbraw/zinc/01/59/88/488015988.db2.gz WYOYHDADVJABNG-JTQLQIEISA-N 0 3 234.307 0.860 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2nc(C)no2)nn1 ZINC000229967991 488016619 /nfs/dbraw/zinc/01/66/19/488016619.db2.gz OKLBOIIVZZJWHD-MRVPVSSYSA-N 0 3 236.279 0.818 20 0 BCADHN Cc1ncc(CN2CC[C@@H](C(N)=O)C2)n1C ZINC000667471011 488017671 /nfs/dbraw/zinc/01/76/71/488017671.db2.gz UCYNMCNOOPGJDU-SECBINFHSA-N 0 3 222.292 0.036 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000257362000 488019786 /nfs/dbraw/zinc/01/97/86/488019786.db2.gz LVQYSQBKRRJDIT-QCLAVDOMSA-N 0 3 210.277 0.114 20 0 BCADHN NC[C@H](NC(=O)N1CCCCO1)C(F)(F)F ZINC000655929030 488021127 /nfs/dbraw/zinc/02/11/27/488021127.db2.gz PRCFLXOSTWMAGI-LURJTMIESA-N 0 3 241.213 0.613 20 0 BCADHN CN(CC(F)F)C(=O)N[C@H](CN)C(F)(F)F ZINC000655920695 488021848 /nfs/dbraw/zinc/02/18/48/488021848.db2.gz MGGFXAACKIMRHH-SCSAIBSYSA-N 0 3 249.183 0.783 20 0 BCADHN Cc1ccc(CN(C[C@@H](C)O)[C@@H](C)CO)cn1 ZINC000682409006 488022109 /nfs/dbraw/zinc/02/21/09/488022109.db2.gz GSRXQAOHDBLJPG-NWDGAFQWSA-N 0 3 238.331 0.954 20 0 BCADHN CC1CCN(CCNc2cc(C#N)cnn2)CC1 ZINC000396945202 488022310 /nfs/dbraw/zinc/02/23/10/488022310.db2.gz KGHFNMJEDDAIAP-UHFFFAOYSA-N 0 3 245.330 1.492 20 0 BCADHN COC[C@@H](CO)N[C@H]1COC(C)(C)C1 ZINC000396825679 488028149 /nfs/dbraw/zinc/02/81/49/488028149.db2.gz BTBSNQUYGKDZIR-RKDXNWHRSA-N 0 3 203.282 0.151 20 0 BCADHN CC[C@@H](O)CNCc1cccc(OC)n1 ZINC000229975269 488029255 /nfs/dbraw/zinc/02/92/55/488029255.db2.gz FNNZGUPIVUOGTL-SNVBAGLBSA-N 0 3 210.277 0.951 20 0 BCADHN C[C@@H](O)CCCN(CC(N)=O)C1CCCC1 ZINC000682759505 488030996 /nfs/dbraw/zinc/03/09/96/488030996.db2.gz PZTIDNAWSNKDEU-SNVBAGLBSA-N 0 3 228.336 0.877 20 0 BCADHN CC[C@H](NC(=O)[C@H](C)N)[C@@H]1CCCCO1 ZINC000655525360 488031062 /nfs/dbraw/zinc/03/10/62/488031062.db2.gz OHBHEBBJESMTGK-GUBZILKMSA-N 0 3 214.309 0.798 20 0 BCADHN CC[C@@H](NC(=O)CN)[C@H]1CCCCO1 ZINC000655525288 488031402 /nfs/dbraw/zinc/03/14/02/488031402.db2.gz MQTIDEBOMAIGEQ-RKDXNWHRSA-N 0 3 200.282 0.409 20 0 BCADHN CCc1cc(NC(=O)CNC2CC2)n[nH]1 ZINC000159465585 488032968 /nfs/dbraw/zinc/03/29/68/488032968.db2.gz MOUVQLUTCITZST-UHFFFAOYSA-N 0 3 208.265 0.663 20 0 BCADHN CCCCNC(=O)NC[C@H]1CNCCO1 ZINC000036287724 488033557 /nfs/dbraw/zinc/03/35/57/488033557.db2.gz CESWMPKXBNRUAH-SECBINFHSA-N 0 3 215.297 0.074 20 0 BCADHN CC[C@H](N[C@H](C)[C@@H](OC)C1CC1)C(N)=O ZINC000388238411 488035970 /nfs/dbraw/zinc/03/59/70/488035970.db2.gz POOIFIARRQXEQE-FKTZTGRPSA-N 0 3 214.309 0.653 20 0 BCADHN CN[C@@H](C)C(=O)NCc1csc(N(C)C)n1 ZINC000655448520 488036055 /nfs/dbraw/zinc/03/60/55/488036055.db2.gz MWKWZHYEPYLFLM-ZETCQYMHSA-N 0 3 242.348 0.433 20 0 BCADHN C[C@H](O)CCCN1CCN(CCO)C(C)(C)C1 ZINC000682776432 488037272 /nfs/dbraw/zinc/03/72/72/488037272.db2.gz MVUDOSCITDGFDA-LBPRGKRZSA-N 0 3 244.379 0.536 20 0 BCADHN C[C@@H](O)CCCN1CCN(CCO)C(C)(C)C1 ZINC000682776431 488037432 /nfs/dbraw/zinc/03/74/32/488037432.db2.gz MVUDOSCITDGFDA-GFCCVEGCSA-N 0 3 244.379 0.536 20 0 BCADHN CCc1nnc(CN2C[C@H](C)N(C)C[C@@H]2C)[nH]1 ZINC000355086697 488039487 /nfs/dbraw/zinc/03/94/87/488039487.db2.gz KKLVUQDLPNUJMQ-UWVGGRQHSA-N 0 3 237.351 0.892 20 0 BCADHN CCc1nc(CN2C[C@H](C)N(C)C[C@@H]2C)n[nH]1 ZINC000355086697 488039490 /nfs/dbraw/zinc/03/94/90/488039490.db2.gz KKLVUQDLPNUJMQ-UWVGGRQHSA-N 0 3 237.351 0.892 20 0 BCADHN CC1(OCC(=O)NCCC(F)(F)F)CNC1 ZINC000165828821 488044199 /nfs/dbraw/zinc/04/41/99/488044199.db2.gz PDJFMEFZTSDYHY-UHFFFAOYSA-N 0 3 240.225 0.434 20 0 BCADHN C[C@@H]1CCCN(C(=O)COC2(C)CNC2)C1 ZINC000165822887 488044388 /nfs/dbraw/zinc/04/43/88/488044388.db2.gz HPSWNUSHGBFPFD-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CC1(OCC(=O)NCc2cccs2)CNC1 ZINC000165825263 488044422 /nfs/dbraw/zinc/04/44/22/488044422.db2.gz AKIOUMFIQGCUGZ-UHFFFAOYSA-N 0 3 240.328 0.743 20 0 BCADHN COC[C@@H](OC)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000669179315 488045090 /nfs/dbraw/zinc/04/50/90/488045090.db2.gz WLMPCTQVYWJZQD-GHMZBOCLSA-N 0 3 244.335 0.200 20 0 BCADHN CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCCN(C)C1 ZINC000669179112 488044787 /nfs/dbraw/zinc/04/47/87/488044787.db2.gz RIOYEKBMLWRNEO-NNYUYHANSA-N 0 3 238.331 0.431 20 0 BCADHN CC[C@H]1CCCN1C(=O)COC1(C)CNC1 ZINC000165836109 488045276 /nfs/dbraw/zinc/04/52/76/488045276.db2.gz ITEQVRZTPAJWMG-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H]1CSCCN1C(=O)COC1(C)CNC1 ZINC000165845152 488045972 /nfs/dbraw/zinc/04/59/72/488045972.db2.gz CWIPHQPYSFXVSV-VIFPVBQESA-N 0 3 244.360 0.329 20 0 BCADHN Cc1nc(CN[C@@H]2C[C@H](O)C23CCC3)n[nH]1 ZINC000661828395 488054426 /nfs/dbraw/zinc/05/44/26/488054426.db2.gz TYECOOPAFMDNMW-BDAKNGLRSA-N 0 3 222.292 0.506 20 0 BCADHN CCOCCC(=O)N[C@H](CN)C(F)(F)F ZINC000401722267 488056271 /nfs/dbraw/zinc/05/62/71/488056271.db2.gz JXALADWQUFVLCX-ZCFIWIBFSA-N 0 3 228.214 0.419 20 0 BCADHN CO[C@@]1(CO)CCCN([C@@H]2CCCOC2)C1 ZINC000401728903 488058065 /nfs/dbraw/zinc/05/80/65/488058065.db2.gz SLOXCWBMQKYLQT-NEPJUHHUSA-N 0 3 229.320 0.639 20 0 BCADHN NC[C@@H](NC(=O)c1ccn[nH]1)C(F)(F)F ZINC000401729306 488058625 /nfs/dbraw/zinc/05/86/25/488058625.db2.gz NPEDMIVBOVITJN-RXMQYKEDSA-N 0 3 222.170 0.029 20 0 BCADHN Cc1n[nH]cc1C(=O)N[C@H](CN)C(F)(F)F ZINC000401735747 488059649 /nfs/dbraw/zinc/05/96/49/488059649.db2.gz YEKUOCKMAWNHLR-ZCFIWIBFSA-N 0 3 236.197 0.338 20 0 BCADHN CN(C)CCn1ccc(NC(=O)c2ncc[nH]2)n1 ZINC000667618154 488060931 /nfs/dbraw/zinc/06/09/31/488060931.db2.gz NMXMAULSFIAVOL-UHFFFAOYSA-N 0 3 248.290 0.420 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N[C@@H](CN)C(F)(F)F ZINC000401748491 488062056 /nfs/dbraw/zinc/06/20/56/488062056.db2.gz WJUHPKXLUNSSRJ-PBXRRBTRSA-N 0 3 210.199 0.648 20 0 BCADHN CC(=O)N[C@H]1CCCN(CCCF)C1 ZINC000121455551 488063305 /nfs/dbraw/zinc/06/33/05/488063305.db2.gz GSFKTCFIWXMZJJ-JTQLQIEISA-N 0 3 202.273 0.947 20 0 BCADHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1cnco1 ZINC000677521194 488063741 /nfs/dbraw/zinc/06/37/41/488063741.db2.gz HTFBRTWSQYTUCG-VIFPVBQESA-N 0 3 235.287 0.889 20 0 BCADHN C[C@H](C[C@H]1CCOC1)NC(=O)C(C)(C)N ZINC000309424464 488064490 /nfs/dbraw/zinc/06/44/90/488064490.db2.gz KDBPWKQFWSATDJ-RKDXNWHRSA-N 0 3 214.309 0.655 20 0 BCADHN O=C(NCCCCO)[C@H]1CCCCN1 ZINC000236493950 488064668 /nfs/dbraw/zinc/06/46/68/488064668.db2.gz WVIGRLZJUKVXQO-SECBINFHSA-N 0 3 200.282 0.017 20 0 BCADHN CN(C)CCn1cc(NC(=O)c2cnco2)cn1 ZINC000677529521 488066149 /nfs/dbraw/zinc/06/61/49/488066149.db2.gz OTCMLADWHLSUAO-UHFFFAOYSA-N 0 3 249.274 0.685 20 0 BCADHN C[C@@H](CNC(=O)c1ccc(N)nc1)N(C)C1CC1 ZINC000221904670 488067196 /nfs/dbraw/zinc/06/71/96/488067196.db2.gz BQINAPCFWFXHRM-VIFPVBQESA-N 0 3 248.330 0.876 20 0 BCADHN NC[C@@H](NC(=O)NC1CCC1)C(F)(F)F ZINC000401788754 488067475 /nfs/dbraw/zinc/06/74/75/488067475.db2.gz BATUQVUYWPZJLS-ZCFIWIBFSA-N 0 3 225.214 0.728 20 0 BCADHN CCCNC(=O)N[C@@H](CN)C(F)(F)F ZINC000401789928 488068154 /nfs/dbraw/zinc/06/81/54/488068154.db2.gz BOVDQMHMKUWMAA-YFKPBYRVSA-N 0 3 213.203 0.585 20 0 BCADHN COC[C@H](C)CN(C)CCNC(C)=O ZINC000674048004 488069425 /nfs/dbraw/zinc/06/94/25/488069425.db2.gz WDWYKXPCQRKVIG-SECBINFHSA-N 0 3 202.298 0.337 20 0 BCADHN CC(C)(C)NC(=O)N[C@@H](CN)C(F)(F)F ZINC000401823388 488070457 /nfs/dbraw/zinc/07/04/57/488070457.db2.gz GWIDZUUTQLFIKH-YFKPBYRVSA-N 0 3 227.230 0.974 20 0 BCADHN CCCCNC(=O)N[C@H](CN)C(F)(F)F ZINC000401859183 488070534 /nfs/dbraw/zinc/07/05/34/488070534.db2.gz WVKJEYNMVCWINC-ZCFIWIBFSA-N 0 3 227.230 0.975 20 0 BCADHN c1cnn(CCN2CC[C@H](Cn3ccnn3)C2)c1 ZINC000661138702 488070977 /nfs/dbraw/zinc/07/09/77/488070977.db2.gz CVUMAJZVPSOLMM-LBPRGKRZSA-N 0 3 246.318 0.497 20 0 BCADHN CCN1CCN(CCc2ccnn2C)C[C@@H]1C ZINC000670084544 488073043 /nfs/dbraw/zinc/07/30/43/488073043.db2.gz JMIQOCKECPESAO-LBPRGKRZSA-N 0 3 236.363 0.989 20 0 BCADHN CCc1cc(NC(=O)C2(N)CCC2)n[nH]1 ZINC000129121145 488075453 /nfs/dbraw/zinc/07/54/53/488075453.db2.gz JFXOSTQRGVGXOT-UHFFFAOYSA-N 0 3 208.265 0.792 20 0 BCADHN CCc1cc(NC(=O)CNCC2CC2)n[nH]1 ZINC000129117957 488075547 /nfs/dbraw/zinc/07/55/47/488075547.db2.gz IONQZNUUKQHFLI-UHFFFAOYSA-N 0 3 222.292 0.910 20 0 BCADHN NC1(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)CCC1 ZINC000147957571 488076190 /nfs/dbraw/zinc/07/61/90/488076190.db2.gz FXYAHWXNCIBYBA-JTQLQIEISA-N 0 3 248.330 0.997 20 0 BCADHN CN(CCCc1cnn(C)c1)[C@H]1CCNC1=O ZINC000677571486 488077616 /nfs/dbraw/zinc/07/76/16/488077616.db2.gz GNYBSWNOZIWTJU-NSHDSACASA-N 0 3 236.319 0.173 20 0 BCADHN CN(CCCc1cnn(C)c1)[C@@H]1CCNC1=O ZINC000677571485 488077824 /nfs/dbraw/zinc/07/78/24/488077824.db2.gz GNYBSWNOZIWTJU-LLVKDONJSA-N 0 3 236.319 0.173 20 0 BCADHN CO[C@H]1CCCN(C(=O)CNC(C)C)C1 ZINC000230247209 488078175 /nfs/dbraw/zinc/07/81/75/488078175.db2.gz DGAJGANHLRANHD-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@H](OC)C1 ZINC000230246355 488078260 /nfs/dbraw/zinc/07/82/60/488078260.db2.gz QDHMZNPHOWRRAM-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN Cn1cc(CNCC2CCC(O)CC2)nn1 ZINC000227632695 488078581 /nfs/dbraw/zinc/07/85/81/488078581.db2.gz HIHCQWRZWKHSKL-UHFFFAOYSA-N 0 3 224.308 0.456 20 0 BCADHN CN(C)CCNC(=O)c1cccc(C(N)=O)c1 ZINC000143269068 488079115 /nfs/dbraw/zinc/07/91/15/488079115.db2.gz YLTXYOUZNHVLJT-UHFFFAOYSA-N 0 3 235.287 0.077 20 0 BCADHN Cn1cccc1CN1CCC(CO)(CO)C1 ZINC000668666931 488081816 /nfs/dbraw/zinc/08/18/16/488081816.db2.gz UGEXYMZZNZRXSR-UHFFFAOYSA-N 0 3 224.304 0.202 20 0 BCADHN O=C(CN1CCCCC[C@@H]1CO)N1CCC1 ZINC000124847578 488085061 /nfs/dbraw/zinc/08/50/61/488085061.db2.gz LIFHPDBETKTMPQ-LLVKDONJSA-N 0 3 226.320 0.456 20 0 BCADHN NC(=O)c1ccc(OC[C@H]2CNCCO2)cc1 ZINC000080745160 488090349 /nfs/dbraw/zinc/09/03/49/488090349.db2.gz JNJCOXUXAKVLAM-LLVKDONJSA-N 0 3 236.271 0.153 20 0 BCADHN CC(C)NCC(=O)N[C@H]1CO[C@@H](C)C1 ZINC000402369839 488090359 /nfs/dbraw/zinc/09/03/59/488090359.db2.gz XXNLWDWELYEERD-DTWKUNHWSA-N 0 3 200.282 0.278 20 0 BCADHN CC(C)N(CCO)CC[C@H]1CCS(=O)(=O)C1 ZINC000677679673 488091475 /nfs/dbraw/zinc/09/14/75/488091475.db2.gz UUNPSRMNGGWQPS-NSHDSACASA-N 0 3 249.376 0.514 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC(CF)CC1 ZINC000451388938 488091061 /nfs/dbraw/zinc/09/10/61/488091061.db2.gz NZTAMRKVPDHGEY-VIFPVBQESA-N 0 3 202.273 0.932 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000378212099 488091780 /nfs/dbraw/zinc/09/17/80/488091780.db2.gz MYKURGMNNPIPDD-SVDPJWKOSA-N 0 3 226.320 0.940 20 0 BCADHN CN1CCN(C(=O)NCCC2CC2)[C@H](CN)C1 ZINC000669504252 488092143 /nfs/dbraw/zinc/09/21/43/488092143.db2.gz CXJQYVMPUSEJEP-LLVKDONJSA-N 0 3 240.351 0.071 20 0 BCADHN CCn1ccc(NC(=O)N(C)CCN(C)C)n1 ZINC000667703699 488095352 /nfs/dbraw/zinc/09/53/52/488095352.db2.gz SZOGNVUKOXACCR-UHFFFAOYSA-N 0 3 239.323 0.928 20 0 BCADHN CCCc1cc(C(=O)N2CCCNCC2)[nH]n1 ZINC000236897440 488096037 /nfs/dbraw/zinc/09/60/37/488096037.db2.gz ZHDQWWXFTCRXPI-UHFFFAOYSA-N 0 3 236.319 0.798 20 0 BCADHN CCN(C[C@@H]1CCOC1)C(=O)CNCCOC ZINC000092496076 488096963 /nfs/dbraw/zinc/09/69/63/488096963.db2.gz KGULTXYBRNYIHP-NSHDSACASA-N 0 3 244.335 0.107 20 0 BCADHN C[C@@H]1CC(=O)NCCN1C[C@H]1CCCO1 ZINC000677714780 488097050 /nfs/dbraw/zinc/09/70/50/488097050.db2.gz IGLSWAOXIFVJLM-NXEZZACHSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@H]1CC(=O)NCCN1C[C@H]1CCCO1 ZINC000677714782 488097596 /nfs/dbraw/zinc/09/75/96/488097596.db2.gz IGLSWAOXIFVJLM-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000236948400 488098373 /nfs/dbraw/zinc/09/83/73/488098373.db2.gz LGVKHOAPUORENA-QWRGUYRKSA-N 0 3 248.330 0.514 20 0 BCADHN CCN(C(=O)[C@H](C)NC)[C@@H]1CCCOC1 ZINC000402717581 488099870 /nfs/dbraw/zinc/09/98/70/488099870.db2.gz UUZIGDSZSIQDOZ-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccnc(OC)c1 ZINC000389598904 488102492 /nfs/dbraw/zinc/10/24/92/488102492.db2.gz RZMNZBVGRBYMBZ-ZETCQYMHSA-N 0 3 209.249 0.637 20 0 BCADHN CCOCCNC(=O)CN[C@]1(CC)CCOC1 ZINC000683045019 488104380 /nfs/dbraw/zinc/10/43/80/488104380.db2.gz ZZPBVQQEKOQUTO-GFCCVEGCSA-N 0 3 244.335 0.298 20 0 BCADHN COC[C@@H](O)CN1CC[C@@H](C(F)F)C1 ZINC000677731128 488108384 /nfs/dbraw/zinc/10/83/84/488108384.db2.gz KEKHTWDOKLOLIG-SFYZADRCSA-N 0 3 209.236 0.581 20 0 BCADHN NS(=O)(=O)CCCN1CC[C@@H](C(F)F)C1 ZINC000677730895 488108401 /nfs/dbraw/zinc/10/84/01/488108401.db2.gz DILNGSAFXRTKSS-SSDOTTSWSA-N 0 3 242.291 0.252 20 0 BCADHN COC[C@H](O)CN1CC[C@H](C(F)F)C1 ZINC000677731127 488108747 /nfs/dbraw/zinc/10/87/47/488108747.db2.gz KEKHTWDOKLOLIG-JGVFFNPUSA-N 0 3 209.236 0.581 20 0 BCADHN CC(C)NC(=O)CN[C@H]1CO[C@H](C2CC2)C1 ZINC000667759262 488109360 /nfs/dbraw/zinc/10/93/60/488109360.db2.gz FGTSZQNILWMFPK-MNOVXSKESA-N 0 3 226.320 0.668 20 0 BCADHN CC(C)NC(=O)CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667759264 488109472 /nfs/dbraw/zinc/10/94/72/488109472.db2.gz FGTSZQNILWMFPK-WDEREUQCSA-N 0 3 226.320 0.668 20 0 BCADHN NC(=O)C[C@H]1CCN(CC2(F)CC2)C1 ZINC000685475013 487536969 /nfs/dbraw/zinc/53/69/69/487536969.db2.gz ZFGKZWCPBGYOSO-MRVPVSSYSA-N 0 3 200.257 0.686 20 0 BCADHN C[C@H]1C[C@H]1CN1CCC(NS(C)(=O)=O)CC1 ZINC000683111884 488113792 /nfs/dbraw/zinc/11/37/92/488113792.db2.gz VTEZOGTXWNGPTI-UWVGGRQHSA-N 0 3 246.376 0.656 20 0 BCADHN O=C(NCCN[C@H]1CO[C@H](C2CC2)C1)C1CC1 ZINC000667766326 488114989 /nfs/dbraw/zinc/11/49/89/488114989.db2.gz XCCAJUDHGBELEQ-NEPJUHHUSA-N 0 3 238.331 0.670 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1CCCN(C)C1)N(C)C ZINC000675783752 488123000 /nfs/dbraw/zinc/12/30/00/488123000.db2.gz AADBLRRBXKQZRJ-MNOVXSKESA-N 0 3 227.352 0.537 20 0 BCADHN C[C@@H](CNC(=O)C(C)(C)O)N1CCC[C@@H](C)C1 ZINC000683178296 488123325 /nfs/dbraw/zinc/12/33/25/488123325.db2.gz CARIHLWNUKGVEQ-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)(O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000683180476 488124529 /nfs/dbraw/zinc/12/45/29/488124529.db2.gz YEYCPOCMFZPUGH-JTQLQIEISA-N 0 3 226.320 0.358 20 0 BCADHN O=C1NCCC[C@@H]1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000667821971 488128917 /nfs/dbraw/zinc/12/89/17/488128917.db2.gz SFSUCDSNFFDJRH-DCAQKATOSA-N 0 3 224.304 0.422 20 0 BCADHN Cn1cc(CCCN2CCc3n[nH]nc3C2)cn1 ZINC000683221918 488132770 /nfs/dbraw/zinc/13/27/70/488132770.db2.gz BMAXLKKVNFOEGX-UHFFFAOYSA-N 0 3 246.318 0.529 20 0 BCADHN CC(C)C[C@@H](C)NC(=O)COC1(C)CNC1 ZINC000168748273 487539408 /nfs/dbraw/zinc/53/94/08/487539408.db2.gz GBJBQLJVRCWEGO-SNVBAGLBSA-N 0 3 228.336 0.916 20 0 BCADHN CC1(OCC(=O)N[C@@H]2CC=CCC2)CNC1 ZINC000168758738 487540443 /nfs/dbraw/zinc/54/04/43/487540443.db2.gz HPLHMBYDTPWWJR-SNVBAGLBSA-N 0 3 224.304 0.590 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)CCO)N(CC)CC ZINC000340009729 487541004 /nfs/dbraw/zinc/54/10/04/487541004.db2.gz MEYWNRYIAPGJLC-MNOVXSKESA-N 0 3 230.352 0.994 20 0 BCADHN C[C@@H](C(=O)N(C)C1CCN(C)CC1)N(C)C ZINC000674266589 487542053 /nfs/dbraw/zinc/54/20/53/487542053.db2.gz SDUAKLWGYLRKMJ-JTQLQIEISA-N 0 3 227.352 0.489 20 0 BCADHN CN1CC[C@H](CNC(=O)c2ccc(CN)o2)C1 ZINC000094567243 487542475 /nfs/dbraw/zinc/54/24/75/487542475.db2.gz HDBVNCLSXOQDIG-SECBINFHSA-N 0 3 237.303 0.420 20 0 BCADHN CN1CCC(NC(=O)c2ccc(CN)o2)CC1 ZINC000094565107 487542667 /nfs/dbraw/zinc/54/26/67/487542667.db2.gz JKBYHFUCMGHCSZ-UHFFFAOYSA-N 0 3 237.303 0.562 20 0 BCADHN CC(C)[C@@H](O)CN1CCC[C@@]12CCNC2=O ZINC000653717325 487542993 /nfs/dbraw/zinc/54/29/93/487542993.db2.gz SZRNPCQXQGVBLP-JQWIXIFHSA-N 0 3 226.320 0.358 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2cnc3n2CCC3)C1 ZINC000668243517 487543465 /nfs/dbraw/zinc/54/34/65/487543465.db2.gz BHOMVLSPLVQZDQ-SNVBAGLBSA-N 0 3 248.330 0.397 20 0 BCADHN C([C@H]1CCSC1)N1CCc2nn[nH]c2C1 ZINC000668791345 487544209 /nfs/dbraw/zinc/54/42/09/487544209.db2.gz IMMWVPHNEPADJI-MRVPVSSYSA-N 0 3 224.333 0.916 20 0 BCADHN C([C@H]1CCSC1)N1CCc2n[nH]nc2C1 ZINC000668791345 487544216 /nfs/dbraw/zinc/54/42/16/487544216.db2.gz IMMWVPHNEPADJI-MRVPVSSYSA-N 0 3 224.333 0.916 20 0 BCADHN COC[C@@H](O)CN1CC(C2CCOCC2)C1 ZINC000669665630 487548146 /nfs/dbraw/zinc/54/81/46/487548146.db2.gz FMMFYVGQEHEWCM-LBPRGKRZSA-N 0 3 229.320 0.352 20 0 BCADHN C[C@@H](O)CN1CCN([C@@H]2CCCOC2)CC1 ZINC000674301808 487548974 /nfs/dbraw/zinc/54/89/74/487548974.db2.gz GOEIJCRHHHAIGS-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000662500231 490081051 /nfs/dbraw/zinc/08/10/51/490081051.db2.gz NLHRGLSNMBLMCW-UTLUCORTSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@@H](C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)N(C)C ZINC000674288453 487549507 /nfs/dbraw/zinc/54/95/07/487549507.db2.gz ATOXWWMCQZGJID-SDDRHHMPSA-N 0 3 241.379 0.735 20 0 BCADHN Cc1ccc(NC(=O)CN2CCNCC2)c(C)n1 ZINC000094665909 487550013 /nfs/dbraw/zinc/55/00/13/487550013.db2.gz MYMFEDCKRXCOMB-UHFFFAOYSA-N 0 3 248.330 0.542 20 0 BCADHN CN(Cc1cn[nH]c1)C[C@@H](O)CN(C)C1CC1 ZINC000685568753 487550289 /nfs/dbraw/zinc/55/02/89/487550289.db2.gz SCWMKCIDIQKILA-GFCCVEGCSA-N 0 3 238.335 0.297 20 0 BCADHN C[C@@H](C(=O)N1CCN(C2CCC2)CC1)N(C)C ZINC000674289800 487551625 /nfs/dbraw/zinc/55/16/25/487551625.db2.gz SAPNOAQWBICRAI-NSHDSACASA-N 0 3 239.363 0.633 20 0 BCADHN CN(C)C(=O)C1CCN([C@@H]2CCCOC2)CC1 ZINC000674299823 487552651 /nfs/dbraw/zinc/55/26/51/487552651.db2.gz HYASCYPZSCGNDO-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1n[nH]cc1CN(C)C[C@@H](O)C1CC1 ZINC000685461864 487530835 /nfs/dbraw/zinc/53/08/35/487530835.db2.gz WTFGXKHUZRMWLJ-LLVKDONJSA-N 0 3 209.293 0.921 20 0 BCADHN C[C@H](O)CN1CCN([C@@H]2CCCOC2)CC1 ZINC000674301805 487555063 /nfs/dbraw/zinc/55/50/63/487555063.db2.gz GOEIJCRHHHAIGS-NWDGAFQWSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@@H](N(C)CCn1ccccc1=O)C(C)(C)O ZINC000382813189 487555801 /nfs/dbraw/zinc/55/58/01/487555801.db2.gz RBQJZLANOLHKLT-LLVKDONJSA-N 0 3 238.331 0.940 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)[C@H]1C ZINC000339582940 487471296 /nfs/dbraw/zinc/47/12/96/487471296.db2.gz RAFSDNJWAOAICV-VWYCJHECSA-N 0 3 246.376 0.608 20 0 BCADHN CC(C)(CO)N1CCN(CC2(C)COC2)CC1 ZINC000673896237 487471973 /nfs/dbraw/zinc/47/19/73/487471973.db2.gz ROBKMLUKFKRJEX-UHFFFAOYSA-N 0 3 242.363 0.411 20 0 BCADHN CC(C)OCCN1CCN(C(C)(C)CO)CC1 ZINC000673896791 487472260 /nfs/dbraw/zinc/47/22/60/487472260.db2.gz YJSDOBQOIUCENE-UHFFFAOYSA-N 0 3 244.379 0.800 20 0 BCADHN Cc1cc(C)nc(N2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000405337671 487481694 /nfs/dbraw/zinc/48/16/94/487481694.db2.gz AZGYXMWZPXRPHK-NWDGAFQWSA-N 0 3 248.330 0.349 20 0 BCADHN CC[C@@H](O)CN[C@H](C)C(=O)N(C)CC ZINC000231852028 487482209 /nfs/dbraw/zinc/48/22/09/487482209.db2.gz RGMZMPNEHPJZPR-RKDXNWHRSA-N 0 3 202.298 0.214 20 0 BCADHN Cc1noc(C)c1[C@@H](C)NC(=O)C1(N)CC1 ZINC000086109968 487483585 /nfs/dbraw/zinc/48/35/85/487483585.db2.gz DKLZLDOXVKMYEA-ZCFIWIBFSA-N 0 3 223.276 0.960 20 0 BCADHN O=C(CC1CCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405248081 487478986 /nfs/dbraw/zinc/47/89/86/487478986.db2.gz BHLSSDPREDMQIT-NWDGAFQWSA-N 0 3 238.331 0.454 20 0 BCADHN C[C@H](CNC(=O)Cc1ccn(C)n1)N(C)C ZINC000679880648 487480493 /nfs/dbraw/zinc/48/04/93/487480493.db2.gz ZHVMYCRVGMBMMH-SECBINFHSA-N 0 3 224.308 0.029 20 0 BCADHN Cn1ccc(CC(=O)N[C@@H]2CCCN(C)C2)n1 ZINC000679884816 487480612 /nfs/dbraw/zinc/48/06/12/487480612.db2.gz NKXZDVLNQQHWPL-LLVKDONJSA-N 0 3 236.319 0.173 20 0 BCADHN CCCN1CC[C@@H](N[C@H](C)CS(C)(=O)=O)C1 ZINC000393955270 487485206 /nfs/dbraw/zinc/48/52/06/487485206.db2.gz VQCKJWGRHCHMLK-GHMZBOCLSA-N 0 3 248.392 0.493 20 0 BCADHN COCCNCC(=O)N1CC[C@@H](C)C[C@H]1C ZINC000086158214 487486939 /nfs/dbraw/zinc/48/69/39/487486939.db2.gz MQVGTBWXKALBIM-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000668226718 487487213 /nfs/dbraw/zinc/48/72/13/487487213.db2.gz RPDOBDHDISOEQZ-FDYHWXHSSA-N 0 3 241.331 0.947 20 0 BCADHN Cc1ncc(CN2C[C@H](C)C[C@H](O)C2)n1C ZINC000668227791 487488914 /nfs/dbraw/zinc/48/89/14/487488914.db2.gz TXETYMXEPVDTDW-SKDRFNHKSA-N 0 3 223.320 0.931 20 0 BCADHN CN1CCCN(c2cncc3ncnn32)CC1 ZINC000679925605 487489730 /nfs/dbraw/zinc/48/97/30/487489730.db2.gz DFEJCPDLCKZYNG-UHFFFAOYSA-N 0 3 232.291 0.266 20 0 BCADHN CN1CCC(Nc2cncc3ncnn32)CC1 ZINC000679926459 487490928 /nfs/dbraw/zinc/49/09/28/487490928.db2.gz YGGVEVKXBDGKLN-UHFFFAOYSA-N 0 3 232.291 0.630 20 0 BCADHN CC(C)N(CCOCCO)Cc1cn[nH]c1 ZINC000380966167 487491908 /nfs/dbraw/zinc/49/19/08/487491908.db2.gz CVVYVAHGZGQCFF-UHFFFAOYSA-N 0 3 227.308 0.629 20 0 BCADHN CC(C)NCC(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000659365210 487492153 /nfs/dbraw/zinc/49/21/53/487492153.db2.gz AWDKXGLOWMDZDS-ZYHUDNBSSA-N 0 3 226.320 0.479 20 0 BCADHN COC[C@H](O)CNCc1cnc2ccccn12 ZINC000117946384 487492629 /nfs/dbraw/zinc/49/26/29/487492629.db2.gz POFDESAPMOOMAD-LLVKDONJSA-N 0 3 235.287 0.431 20 0 BCADHN Nc1cccc(CN2CCOC[C@@H](O)C2)c1 ZINC000399968455 487498895 /nfs/dbraw/zinc/49/88/95/487498895.db2.gz WRXJPEUYXSGUTB-LBPRGKRZSA-N 0 3 222.288 0.462 20 0 BCADHN C[C@@H](O)CNC[C@@H](c1ccco1)N(C)C ZINC000666116880 487499719 /nfs/dbraw/zinc/49/97/19/487499719.db2.gz IBFBOIGMWKLRHP-ZJUUUORDSA-N 0 3 212.293 0.853 20 0 BCADHN C[C@@H](O)CNC[C@H](c1ccco1)N(C)C ZINC000666116879 487499741 /nfs/dbraw/zinc/49/97/41/487499741.db2.gz IBFBOIGMWKLRHP-NXEZZACHSA-N 0 3 212.293 0.853 20 0 BCADHN C[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccon1 ZINC000381270505 487503338 /nfs/dbraw/zinc/50/33/38/487503338.db2.gz VJXMOYRZSPEUTP-BDAKNGLRSA-N 0 3 223.276 0.813 20 0 BCADHN c1ccc2c(c1)CN(C[C@@H]1CNCCO1)CCO2 ZINC000063013508 487507968 /nfs/dbraw/zinc/50/79/68/487507968.db2.gz IVSZTPUQNOCCJY-ZDUSSCGKSA-N 0 3 248.326 0.869 20 0 BCADHN COCCN(C)CCNc1ncc(C)cn1 ZINC000063048963 487510931 /nfs/dbraw/zinc/51/09/31/487510931.db2.gz HNWZPYQGFFDZRE-UHFFFAOYSA-N 0 3 224.308 0.775 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000152881947 487515923 /nfs/dbraw/zinc/51/59/23/487515923.db2.gz CQYFAZLUFOZHPA-MWLCHTKSSA-N 0 3 238.287 0.917 20 0 BCADHN COC[C@H](CCO)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667870913 488143642 /nfs/dbraw/zinc/14/36/42/488143642.db2.gz HNDABLDVDANSFO-SDDRHHMPSA-N 0 3 229.320 0.541 20 0 BCADHN C[N@H+](Cc1ncccc1[O-])C1CC(O)C1 ZINC000685427267 487521324 /nfs/dbraw/zinc/52/13/24/487521324.db2.gz RXIRKOCYOYIABU-UHFFFAOYSA-N 0 3 208.261 0.742 20 0 BCADHN C[N@@H+](Cc1ncccc1[O-])C1CC(O)C1 ZINC000685427267 487521326 /nfs/dbraw/zinc/52/13/26/487521326.db2.gz RXIRKOCYOYIABU-UHFFFAOYSA-N 0 3 208.261 0.742 20 0 BCADHN C[N@H+](Cc1ncccc1[O-])CC1(CO)CC1 ZINC000685428866 487521911 /nfs/dbraw/zinc/52/19/11/487521911.db2.gz VVSBPDJWTIFMBI-UHFFFAOYSA-N 0 3 222.288 0.992 20 0 BCADHN C[N@@H+](Cc1ncccc1[O-])CC1(CO)CC1 ZINC000685428866 487521914 /nfs/dbraw/zinc/52/19/14/487521914.db2.gz VVSBPDJWTIFMBI-UHFFFAOYSA-N 0 3 222.288 0.992 20 0 BCADHN C[NH2+]C[C@@H](C)NC(=O)c1cccc(OC)c1[O-] ZINC000310271204 487522291 /nfs/dbraw/zinc/52/22/91/487522291.db2.gz IMFQCAYOLLUZAM-MRVPVSSYSA-N 0 3 238.287 0.739 20 0 BCADHN C[C@@H]1CC(=O)NCCN1CC[C@@H]1CCOC1 ZINC000685469695 487534105 /nfs/dbraw/zinc/53/41/05/487534105.db2.gz RQGUXLBDWCOONS-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CCn1cc(CNC(=O)[C@@H](N)C2CCC2)nn1 ZINC000404451993 488162407 /nfs/dbraw/zinc/16/24/07/488162407.db2.gz JLXJJUHVXXGHAT-JTQLQIEISA-N 0 3 237.307 0.042 20 0 BCADHN Cc1ncc(CN2CC[C@@H]([C@@H](C)O)C2)n1C ZINC000667959262 488168695 /nfs/dbraw/zinc/16/86/95/488168695.db2.gz JETNKVMXWSAYSZ-MWLCHTKSSA-N 0 3 223.320 0.931 20 0 BCADHN C[C@@H](C(=O)N1CCN(CC2CC2)CC1)N(C)C ZINC000674245866 487535313 /nfs/dbraw/zinc/53/53/13/487535313.db2.gz UORXSBSLYYCDNX-NSHDSACASA-N 0 3 239.363 0.491 20 0 BCADHN COC[C@H](NCC(=O)Nc1ccon1)C1CC1 ZINC000680385007 487581998 /nfs/dbraw/zinc/58/19/98/487581998.db2.gz HMNFDOSHCMCSSS-VIFPVBQESA-N 0 3 239.275 0.628 20 0 BCADHN CC(C)[C@@H](NC(=O)C[C@H]1CNCCO1)C1CC1 ZINC000324409362 487605178 /nfs/dbraw/zinc/60/51/78/487605178.db2.gz QEPXRTFTFYOTCR-WCQYABFASA-N 0 3 240.347 0.916 20 0 BCADHN C[C@@H](CCCO)NC(=O)C1(NC2CC2)CCC1 ZINC000662611978 487672190 /nfs/dbraw/zinc/67/21/90/487672190.db2.gz RKZABJFMNJZNKF-JTQLQIEISA-N 0 3 240.347 0.938 20 0 BCADHN COC[C@H](CO)NC1CC(OC(C)(C)C)C1 ZINC000309869250 487728487 /nfs/dbraw/zinc/72/84/87/487728487.db2.gz PWVVMAFOYIGFAR-YVNMAJEFSA-N 0 3 231.336 0.929 20 0 BCADHN NC(=O)C[C@H]1CCN(C[C@H](O)C(F)(F)F)C1 ZINC000676907798 487945925 /nfs/dbraw/zinc/94/59/25/487945925.db2.gz DFHAGHDIWDIOBP-RQJHMYQMSA-N 0 3 240.225 0.107 20 0 BCADHN CC[C@@H](C(N)=O)N(CC)C[C@H]1CCOC1 ZINC000677885134 488146898 /nfs/dbraw/zinc/14/68/98/488146898.db2.gz FTRWZXXSQHBWSM-ZJUUUORDSA-N 0 3 214.309 0.609 20 0 BCADHN COC[C@@H](C(N)=O)N(C)CC1CCCC1 ZINC000339354326 488153308 /nfs/dbraw/zinc/15/33/08/488153308.db2.gz HCOQBDWSLBGVSC-JTQLQIEISA-N 0 3 214.309 0.609 20 0 BCADHN CN1CCCC[C@@H]1C(=O)N1CCCN(C)CC1 ZINC000677502731 488053860 /nfs/dbraw/zinc/05/38/60/488053860.db2.gz OZUZBZLODGLQMX-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN C[C@@H](CNC(=O)c1cnco1)N1CCCC1 ZINC000677539471 488067983 /nfs/dbraw/zinc/06/79/83/488067983.db2.gz YGQLRCUFLOBXKR-VIFPVBQESA-N 0 3 223.276 0.889 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CO)CC1CC1)N(C)C ZINC000678389002 488136399 /nfs/dbraw/zinc/13/63/99/488136399.db2.gz QVGXIMMIIHBOMS-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@@H](O)C1(NCc2cnc(N(C)C)n2C)CC1 ZINC000668702483 488137939 /nfs/dbraw/zinc/13/79/39/488137939.db2.gz JUPWPKSTJHHIMS-SECBINFHSA-N 0 3 238.335 0.489 20 0 BCADHN C[C@@H]1OCC[C@H]1NCc1ccc(CC(N)=O)cc1 ZINC000677854430 488141528 /nfs/dbraw/zinc/14/15/28/488141528.db2.gz SVDKQEYALGQEMQ-GXFFZTMASA-N 0 3 248.326 0.981 20 0 BCADHN C[C@@H](O)CN(CC(N)=O)C1CCCCC1 ZINC000339128009 488143137 /nfs/dbraw/zinc/14/31/37/488143137.db2.gz MUWVAYBOTOUBGA-SECBINFHSA-N 0 3 214.309 0.487 20 0 BCADHN COC[C@H](CCO)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000667870914 488143734 /nfs/dbraw/zinc/14/37/34/488143734.db2.gz HNDABLDVDANSFO-SRVKXCTJSA-N 0 3 229.320 0.541 20 0 BCADHN COCCOCCN[C@H]1CCCn2nccc21 ZINC000657851704 488148945 /nfs/dbraw/zinc/14/89/45/488148945.db2.gz PRGOYOXNYREZGF-NSHDSACASA-N 0 3 239.319 0.971 20 0 BCADHN CN1CCC[C@H](N[C@@H]2CO[C@@H](C3CC3)C2)C1=O ZINC000667891947 488149233 /nfs/dbraw/zinc/14/92/33/488149233.db2.gz BFOXRWHPXGZEAT-SDDRHHMPSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@]1([N-]S(=O)(=O)c2cccs2)CC[NH2+]C1 ZINC000230736103 488149500 /nfs/dbraw/zinc/14/95/00/488149500.db2.gz CBEVTOWRZIHQDM-VIFPVBQESA-N 0 3 246.357 0.778 20 0 BCADHN C[C@@H](O)C[C@H](C)CNC(=O)C1(N)CCCC1 ZINC000237388546 488152254 /nfs/dbraw/zinc/15/22/54/488152254.db2.gz AQDCWXUIFWSNOW-VHSXEESVSA-N 0 3 228.336 0.781 20 0 BCADHN C[C@@H](Cn1cncn1)N[C@H]1CCCn2nccc21 ZINC000657860187 488152685 /nfs/dbraw/zinc/15/26/85/488152685.db2.gz XMOUYMRVWOUBGK-QWRGUYRKSA-N 0 3 246.318 0.988 20 0 BCADHN O=C(NC1CC=CC1)[C@@H]1CN2CCN1CCC2 ZINC000677913083 488154105 /nfs/dbraw/zinc/15/41/05/488154105.db2.gz QEFRAZWWHCRDSP-LBPRGKRZSA-N 0 3 235.331 0.211 20 0 BCADHN COC[C@@H](C(N)=O)N(C)CC1CCCCC1 ZINC000339356172 488154291 /nfs/dbraw/zinc/15/42/91/488154291.db2.gz BQKVQHVENBIFLQ-NSHDSACASA-N 0 3 228.336 0.999 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000667927454 488161059 /nfs/dbraw/zinc/16/10/59/488161059.db2.gz XNYFWVUXTNKLQC-LSJOCFKGSA-N 0 3 226.320 0.668 20 0 BCADHN OCc1ccc(CN2CCC3(COC3)C2)o1 ZINC000668719966 488162214 /nfs/dbraw/zinc/16/22/14/488162214.db2.gz GWVHQSSVUKNOCM-UHFFFAOYSA-N 0 3 223.272 0.994 20 0 BCADHN CCN1CC[C@@H](N[C@H](COC)C2CC2)C1=O ZINC000390506319 488162580 /nfs/dbraw/zinc/16/25/80/488162580.db2.gz XEPLWFRUCQEMQG-GHMZBOCLSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](CC(N)=O)NCc1ccc(CC(N)=O)cc1 ZINC000677965236 488165580 /nfs/dbraw/zinc/16/55/80/488165580.db2.gz SNINEDPNTAZCPO-SECBINFHSA-N 0 3 249.314 0.068 20 0 BCADHN Cc1ncc(CN2CC[C@@H]([C@H](C)O)C2)n1C ZINC000667959260 488168764 /nfs/dbraw/zinc/16/87/64/488168764.db2.gz JETNKVMXWSAYSZ-GXSJLCMTSA-N 0 3 223.320 0.931 20 0 BCADHN CC(C)(C(N)=O)C(=O)NCCN1CCCCC1 ZINC000683465929 488168829 /nfs/dbraw/zinc/16/88/29/488168829.db2.gz HHLRGAXFTPSWSC-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN C[C@H]1COCCCN1CCn1ccnc1 ZINC000677987279 488169252 /nfs/dbraw/zinc/16/92/52/488169252.db2.gz SLXPWYIZIMUWRH-NSHDSACASA-N 0 3 209.293 0.994 20 0 BCADHN CN1CCC[C@@H](NC(=O)NCc2cccnn2)C1 ZINC000683479669 488172684 /nfs/dbraw/zinc/17/26/84/488172684.db2.gz UJGQJBOJBNFTPM-LLVKDONJSA-N 0 3 249.318 0.370 20 0 BCADHN O=C(NC1CCN(C2CC2)CC1)[C@@H](O)C1CC1 ZINC000665802631 488174775 /nfs/dbraw/zinc/17/47/75/488174775.db2.gz JRMGXMQFMSCOFB-LBPRGKRZSA-N 0 3 238.331 0.500 20 0 BCADHN C[C@H](N)C(=O)N1CCC(F)(F)C[C@@H]1C ZINC000606279453 488177544 /nfs/dbraw/zinc/17/75/44/488177544.db2.gz PGSHAXJLCIRRAZ-BQBZGAKWSA-N 0 3 206.236 0.980 20 0 BCADHN CCCCN(CC(N)=O)C[C@@H](C)CO ZINC000678044663 488177700 /nfs/dbraw/zinc/17/77/00/488177700.db2.gz XKPHLVNSPPAHHJ-SECBINFHSA-N 0 3 202.298 0.202 20 0 BCADHN C[C@@H](CO)CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000678043471 488178473 /nfs/dbraw/zinc/17/84/73/488178473.db2.gz UAIYOBVOYMCNCL-OLZOCXBDSA-N 0 3 242.363 0.411 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000668004684 488181829 /nfs/dbraw/zinc/18/18/29/488181829.db2.gz BJHIEYQDOUNARR-WDEREUQCSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](CO)CN1CCN(c2nccn2C)CC1 ZINC000678046221 488182437 /nfs/dbraw/zinc/18/24/37/488182437.db2.gz NELTXWHOAYFKNG-LLVKDONJSA-N 0 3 238.335 0.171 20 0 BCADHN FC1(F)CCCN(C[C@@H]2CNCCO2)C1 ZINC000259620749 488182619 /nfs/dbraw/zinc/18/26/19/488182619.db2.gz WCURUPUMVQPXAC-VIFPVBQESA-N 0 3 220.263 0.706 20 0 BCADHN CC(C)(C)[C@@H](CO)NCC(=O)Nc1ccon1 ZINC000683522639 488182851 /nfs/dbraw/zinc/18/28/51/488182851.db2.gz XJFNGHCKGGTXKU-MRVPVSSYSA-N 0 3 241.291 0.610 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)[C@H](O)C1CC1 ZINC000668012815 488185866 /nfs/dbraw/zinc/18/58/66/488185866.db2.gz LFKIVDAPWXRFHB-GHMZBOCLSA-N 0 3 226.320 0.310 20 0 BCADHN COCCN1CCC[C@](CO)(OC)C1 ZINC000401786995 488187495 /nfs/dbraw/zinc/18/74/95/488187495.db2.gz UMWSQBZMQYCMOA-JTQLQIEISA-N 0 3 203.282 0.106 20 0 BCADHN CN(C)C1(CNC(=O)C2(O)CCC2)CC1 ZINC000668052059 488195858 /nfs/dbraw/zinc/19/58/58/488195858.db2.gz JMYAXGWKSZFCLL-UHFFFAOYSA-N 0 3 212.293 0.112 20 0 BCADHN C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)C(=O)N(C)C ZINC000668055504 488195972 /nfs/dbraw/zinc/19/59/72/488195972.db2.gz DAZUZTIIKRSJND-LSJOCFKGSA-N 0 3 226.320 0.620 20 0 BCADHN CC[C@H](N[C@@H]1C[C@H](OC)C12CCC2)C(N)=O ZINC000308353517 488201515 /nfs/dbraw/zinc/20/15/15/488201515.db2.gz XEVYNFWCVFSAQB-AEJSXWLSSA-N 0 3 226.320 0.798 20 0 BCADHN CC(C)N1CCN(Cc2cn[nH]c2)CC1 ZINC000678132433 488202891 /nfs/dbraw/zinc/20/28/91/488202891.db2.gz HAYMAIYHPGFYPR-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1CCS[C@@H]1C ZINC000308550663 488206892 /nfs/dbraw/zinc/20/68/92/488206892.db2.gz WEYJHPDTICULIV-RKDXNWHRSA-N 0 3 216.350 0.995 20 0 BCADHN CC(C)N1CCN(C[C@H]2CNCCO2)CC1 ZINC000043802301 488208998 /nfs/dbraw/zinc/20/89/98/488208998.db2.gz XPGGPQYTRYJJCW-GFCCVEGCSA-N 0 3 227.352 0.001 20 0 BCADHN CCCn1nccc1CNC[C@@H]1CNC(=O)C1 ZINC000398318995 488215731 /nfs/dbraw/zinc/21/57/31/488215731.db2.gz YEDGKJTVOXJCKD-SNVBAGLBSA-N 0 3 236.319 0.519 20 0 BCADHN C[C@@H](C(=O)N1C[C@@H](C)N(C)C[C@H]1C)N(C)C ZINC000678216821 488219448 /nfs/dbraw/zinc/21/94/48/488219448.db2.gz ICHKKQPBEYPIFO-MXWKQRLJSA-N 0 3 227.352 0.488 20 0 BCADHN C[C@@H]1C[C@H](CO)CN(Cc2cn[nH]c2)C1 ZINC000398639422 488220746 /nfs/dbraw/zinc/22/07/46/488220746.db2.gz VYTPSRRTFIKEMX-ZJUUUORDSA-N 0 3 209.293 0.860 20 0 BCADHN CN(CCN1CCCC1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000668199065 488221884 /nfs/dbraw/zinc/22/18/84/488221884.db2.gz HWQDYMGZODETRV-GDNZZTSVSA-N 0 3 238.331 0.433 20 0 BCADHN Cc1nnc(CN(C)Cc2cn[nH]c2C)n1C ZINC000678234959 488222581 /nfs/dbraw/zinc/22/25/81/488222581.db2.gz YGGHRTXGXRQILR-UHFFFAOYSA-N 0 3 234.307 0.787 20 0 BCADHN Cc1cn(C)nc1NC(=O)N[C@@H](C)CN(C)C ZINC000668203241 488223497 /nfs/dbraw/zinc/22/34/97/488223497.db2.gz BKAIXTJAWWJAKI-VIFPVBQESA-N 0 3 239.323 0.800 20 0 BCADHN COCCN(C[C@@H](C)CO)[C@@H]1CCOC1 ZINC000683802063 488223832 /nfs/dbraw/zinc/22/38/32/488223832.db2.gz KSQJYWMEJXBNSR-GHMZBOCLSA-N 0 3 217.309 0.352 20 0 BCADHN CC[C@@H](O)CN(CCOC)[C@H]1CCO[C@@H]1C ZINC000683792983 488223893 /nfs/dbraw/zinc/22/38/93/488223893.db2.gz KCXSJWZSNIXDJU-UTUOFQBUSA-N 0 3 231.336 0.883 20 0 BCADHN C[C@@H](O)CN1CCN(CC2(C)CC2)CC1 ZINC000683829325 488228590 /nfs/dbraw/zinc/22/85/90/488228590.db2.gz TXBBLJLGRMKGIT-LLVKDONJSA-N 0 3 212.337 0.785 20 0 BCADHN CN1CCC[C@H](NC(=O)CCC(C)(C)O)C1 ZINC000683846351 488231673 /nfs/dbraw/zinc/23/16/73/488231673.db2.gz XCIXGCNGBCKPIY-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN CN(C)CCOCCNC(=O)CCC(C)(C)O ZINC000683867126 488234482 /nfs/dbraw/zinc/23/44/82/488234482.db2.gz VWSRVUGUAXVQRL-UHFFFAOYSA-N 0 3 246.351 0.232 20 0 BCADHN Cc1nccc(C(=O)N(CCN(C)C)C2CC2)n1 ZINC000683903553 488242558 /nfs/dbraw/zinc/24/25/58/488242558.db2.gz ZAPREUGQXIWOPN-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN CC[C@H](C)C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000683911916 488243767 /nfs/dbraw/zinc/24/37/67/488243767.db2.gz DWISGTKRRWRTKJ-WCQYABFASA-N 0 3 242.363 0.948 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](CO)CC1CC1 ZINC000678388117 488250191 /nfs/dbraw/zinc/25/01/91/488250191.db2.gz CLVAHADMTHBODS-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN O=C(CCCCO)N[C@@H]1CCN(CC2CC2)C1 ZINC000678476541 488258764 /nfs/dbraw/zinc/25/87/64/488258764.db2.gz VAASREOFBNYWNQ-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN COCCN(CCN(C)C)C(=O)CCCCO ZINC000678477014 488258990 /nfs/dbraw/zinc/25/89/90/488258990.db2.gz BJIBVULWUKNRHG-UHFFFAOYSA-N 0 3 246.351 0.186 20 0 BCADHN C[C@H](CF)NC(=O)NC1CCN(CCO)CC1 ZINC000672852662 488268131 /nfs/dbraw/zinc/26/81/31/488268131.db2.gz GTJMYPJFCFDEIZ-SECBINFHSA-N 0 3 247.314 0.100 20 0 BCADHN CCOCCCN1CCN([C@H]2CCOC2)CC1 ZINC000678626594 488273886 /nfs/dbraw/zinc/27/38/86/488273886.db2.gz NOPFCJPJDZULPJ-ZDUSSCGKSA-N 0 3 242.363 0.820 20 0 BCADHN CC(C)CC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673518156 488291952 /nfs/dbraw/zinc/29/19/52/488291952.db2.gz SFGRKXRPCARPGB-NWDGAFQWSA-N 0 3 240.347 0.700 20 0 BCADHN CCCCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673511383 488292076 /nfs/dbraw/zinc/29/20/76/488292076.db2.gz QLTPXJZJKSQWBJ-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN CCCCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673511385 488292256 /nfs/dbraw/zinc/29/22/56/488292256.db2.gz QLTPXJZJKSQWBJ-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](CN1CCOCC1)N1CC=CCC1 ZINC000679321754 488336043 /nfs/dbraw/zinc/33/60/43/488336043.db2.gz MAGSTYWTNOTDPB-GFCCVEGCSA-N 0 3 210.321 0.969 20 0 BCADHN CCCC(=O)N[C@H](CO)CN1CCCC1 ZINC000673529745 488294150 /nfs/dbraw/zinc/29/41/50/488294150.db2.gz BWBSHNSSBPTXDX-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN O[C@H](Cn1cccn1)CN1CC=CCC1 ZINC000679321405 488336084 /nfs/dbraw/zinc/33/60/84/488336084.db2.gz BBDUOJQLBBVDKW-NSHDSACASA-N 0 3 207.277 0.506 20 0 BCADHN CC(C)CCC(=O)N[C@@H](CO)CN1CCCC1 ZINC000673530647 488294352 /nfs/dbraw/zinc/29/43/52/488294352.db2.gz HPNRXEISEGRVOU-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)[C@H](C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000673532047 488295065 /nfs/dbraw/zinc/29/50/65/488295065.db2.gz VXWCTHUTDZCAFZ-NWDGAFQWSA-N 0 3 242.363 0.851 20 0 BCADHN Cn1ncn(CCCN2CCCCC2)c1=O ZINC000673546670 488295272 /nfs/dbraw/zinc/29/52/72/488295272.db2.gz WACSXXXUUFHGPO-UHFFFAOYSA-N 0 3 224.308 0.458 20 0 BCADHN CN1CCC[C@H](NC(=O)Cn2ccnc2)C1 ZINC000673660600 488301519 /nfs/dbraw/zinc/30/15/19/488301519.db2.gz BLPRAWTZWSOBKQ-JTQLQIEISA-N 0 3 222.292 0.094 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)C(C)(C)O ZINC000673688807 488304390 /nfs/dbraw/zinc/30/43/90/488304390.db2.gz BKVVWTQQOQENPD-SECBINFHSA-N 0 3 216.325 0.604 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCCN(C)C2)cc(=O)[nH]1 ZINC000679101087 488308205 /nfs/dbraw/zinc/30/82/05/488308205.db2.gz CVQCAEYVFCXZTK-LLVKDONJSA-N 0 3 249.314 0.920 20 0 BCADHN CN1CCC[C@@H](NC(=O)NCC2(CO)CC2)C1 ZINC000673876545 488310676 /nfs/dbraw/zinc/31/06/76/488310676.db2.gz QCLGXJAWZKRTOF-SNVBAGLBSA-N 0 3 241.335 0.152 20 0 BCADHN CN1CCC[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC000684432867 488312557 /nfs/dbraw/zinc/31/25/57/488312557.db2.gz OFJZJVKCZPARGJ-NSHDSACASA-N 0 3 236.319 0.553 20 0 BCADHN CN1CCC[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC000684432867 488312559 /nfs/dbraw/zinc/31/25/59/488312559.db2.gz OFJZJVKCZPARGJ-NSHDSACASA-N 0 3 236.319 0.553 20 0 BCADHN C[C@@H](C(=O)NCCN1CC=CCC1)N(C)C ZINC000684502235 488322976 /nfs/dbraw/zinc/32/29/76/488322976.db2.gz OESKPDOOPGJJFV-NSHDSACASA-N 0 3 225.336 0.315 20 0 BCADHN C[C@@](O)(CO)CNCc1ccc2[nH]cnc2c1 ZINC000684536718 488326798 /nfs/dbraw/zinc/32/67/98/488326798.db2.gz RQGARMGZMSVBSC-LBPRGKRZSA-N 0 3 235.287 0.396 20 0 BCADHN C[C@@](O)(CO)CNCc1ccc2nc[nH]c2c1 ZINC000684536718 488326799 /nfs/dbraw/zinc/32/67/99/488326799.db2.gz RQGARMGZMSVBSC-LBPRGKRZSA-N 0 3 235.287 0.396 20 0 BCADHN CC(C)CC[C@H](O)CN1C[C@H](O)C[C@H](O)C1 ZINC000684617692 488332799 /nfs/dbraw/zinc/33/27/99/488332799.db2.gz BHSDSYLNAYAZHQ-SDDRHHMPSA-N 0 3 231.336 0.211 20 0 BCADHN CC(C)(CO)N1CCN(Cc2c[nH]cn2)CC1 ZINC000684619301 488333024 /nfs/dbraw/zinc/33/30/24/488333024.db2.gz OACWEWNRPSTTKA-UHFFFAOYSA-N 0 3 238.335 0.298 20 0 BCADHN CC(C)(CO)N1CCN(Cc2cnc[nH]2)CC1 ZINC000684619301 488333025 /nfs/dbraw/zinc/33/30/25/488333025.db2.gz OACWEWNRPSTTKA-UHFFFAOYSA-N 0 3 238.335 0.298 20 0 BCADHN O=C(NCCF)N[C@H]1CCN(CC2CC2)C1 ZINC000684792617 488343163 /nfs/dbraw/zinc/34/31/63/488343163.db2.gz MGDCDPMDOPVJBD-JTQLQIEISA-N 0 3 229.299 0.739 20 0 BCADHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc[nH]n1 ZINC000684823978 488346707 /nfs/dbraw/zinc/34/67/07/488346707.db2.gz XAMDQQBMULIMKW-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccn[nH]1 ZINC000684823978 488346709 /nfs/dbraw/zinc/34/67/09/488346709.db2.gz XAMDQQBMULIMKW-SNVBAGLBSA-N 0 3 236.319 0.966 20 0 BCADHN CN(Cc1ccc(O)cc1)CC(C)(CO)CO ZINC000679392585 488349683 /nfs/dbraw/zinc/34/96/83/488349683.db2.gz LXNRRECHUVQGMI-UHFFFAOYSA-N 0 3 239.315 0.815 20 0 BCADHN CN(C(=O)c1cnnn1C)[C@@H]1CCN(C2CC2)C1 ZINC000684907707 488352023 /nfs/dbraw/zinc/35/20/23/488352023.db2.gz OXHMXYJLBXPEDZ-SNVBAGLBSA-N 0 3 249.318 0.124 20 0 BCADHN CCCCCN(CC(N)=O)C[C@@H](C)CO ZINC000679537330 488357123 /nfs/dbraw/zinc/35/71/23/488357123.db2.gz BLRYCHFEPKEEAZ-SNVBAGLBSA-N 0 3 216.325 0.592 20 0 BCADHN C[C@H](NCc1cncn1C)[C@@H]1CN(C)CCO1 ZINC000129283415 490053559 /nfs/dbraw/zinc/05/35/59/490053559.db2.gz HGDFOFKQXQHACL-JQWIXIFHSA-N 0 3 238.335 0.229 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)[C@H]1CCC[C@H]1O ZINC000352659681 490099341 /nfs/dbraw/zinc/09/93/41/490099341.db2.gz KMIYNEAXKGHRAY-KXUCPTDWSA-N 0 3 214.309 0.308 20 0 BCADHN COCCN(CCOC)C[C@@H](C)CO ZINC000120517940 490063323 /nfs/dbraw/zinc/06/33/23/490063323.db2.gz RUWPZOSBQVWBIF-SNVBAGLBSA-N 0 3 205.298 0.210 20 0 BCADHN CNC(=O)[C@H](CC(C)C)N[C@H]1CCO[C@@H]1C ZINC000120651378 490066270 /nfs/dbraw/zinc/06/62/70/490066270.db2.gz CTEFEJATCZEWHO-VWYCJHECSA-N 0 3 228.336 0.914 20 0 BCADHN CNC(=O)[C@H](CC(C)C)N[C@@H]1CCO[C@H]1C ZINC000120651193 490066334 /nfs/dbraw/zinc/06/63/34/490066334.db2.gz CTEFEJATCZEWHO-AXFHLTTASA-N 0 3 228.336 0.914 20 0 BCADHN C[C@H](O)C1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000225792858 490086078 /nfs/dbraw/zinc/08/60/78/490086078.db2.gz RXNSIYNPCJVRJN-ONGXEEELSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@H](C(=O)N(C)C)N(C)[C@@H]1CCC[C@@H]1O ZINC000352659680 490099000 /nfs/dbraw/zinc/09/90/00/490099000.db2.gz KMIYNEAXKGHRAY-BBBLOLIVSA-N 0 3 214.309 0.308 20 0 BCADHN CN1CCC[C@@H](NC(=O)CC(F)(F)CN)C1 ZINC000653112253 490122483 /nfs/dbraw/zinc/12/24/83/490122483.db2.gz SDOHVSGLJRGHFM-MRVPVSSYSA-N 0 3 235.278 0.181 20 0 BCADHN O[C@@H]1C[C@H]2CN(CCOC3CCC3)CCN2C1 ZINC000653829806 490146626 /nfs/dbraw/zinc/14/66/26/490146626.db2.gz YPOMQWQXKJZLMZ-NWDGAFQWSA-N 0 3 240.347 0.306 20 0 BCADHN C[C@@H](c1ccccn1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000653828453 490146732 /nfs/dbraw/zinc/14/67/32/490146732.db2.gz PQYFQKXYGSPPDD-RWMBFGLXSA-N 0 3 247.342 0.893 20 0 BCADHN CCn1nccc1C(=O)NCCN(C)C1CC1 ZINC000681273843 490163589 /nfs/dbraw/zinc/16/35/89/490163589.db2.gz LRECKHNFEOXGSK-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN Cc1ccc(OC[C@H]2CNCCO2)nc1 ZINC000125049899 490171489 /nfs/dbraw/zinc/17/14/89/490171489.db2.gz QERNFMYLFLDRNU-SNVBAGLBSA-N 0 3 208.261 0.757 20 0 BCADHN O=C1NCC[C@@H]1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000668426019 490175277 /nfs/dbraw/zinc/17/52/77/490175277.db2.gz CTWXXQKVGKMANS-KXUCPTDWSA-N 0 3 210.277 0.032 20 0 BCADHN CNC(=O)CCNCc1ccc(C(=O)NC)cc1 ZINC000044990450 490188510 /nfs/dbraw/zinc/18/85/10/490188510.db2.gz VGYZIHCYWOWMNF-UHFFFAOYSA-N 0 3 249.314 0.272 20 0 BCADHN CNC(=O)CCNCc1cccc2c1OCO2 ZINC000044989339 490188762 /nfs/dbraw/zinc/18/87/62/490188762.db2.gz NBUIXXRCQDFSAR-UHFFFAOYSA-N 0 3 236.271 0.641 20 0 BCADHN CCNC(=O)CN[C@H]1CCO[C@H](C)C1 ZINC000069861734 490189916 /nfs/dbraw/zinc/18/99/16/490189916.db2.gz WSKVIVXYBGUWEP-BDAKNGLRSA-N 0 3 200.282 0.280 20 0 BCADHN O[C@]12C[C@H]1CN(CCO[C@@H]1CC1(F)F)CC2 ZINC000661720913 490203402 /nfs/dbraw/zinc/20/34/02/490203402.db2.gz LWCCGVLEEDUEMQ-IVZWLZJFSA-N 0 3 233.258 0.867 20 0 BCADHN C[C@@H](C(=O)N[C@H]1CCN(C2CC2)C1)N(C)C ZINC000078695461 490217779 /nfs/dbraw/zinc/21/77/79/490217779.db2.gz LXQMPFTVTBNKOA-UWVGGRQHSA-N 0 3 225.336 0.289 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@H](Cn2ccnn2)C1 ZINC000668452476 490249181 /nfs/dbraw/zinc/24/91/81/490249181.db2.gz UMWBDVZEXFUYHR-NSHDSACASA-N 0 3 246.318 0.832 20 0 BCADHN CC(C)NC(=O)CN[C@H]1CCCOC1 ZINC000071013309 490252517 /nfs/dbraw/zinc/25/25/17/490252517.db2.gz KGGJPUSKPLKAQL-VIFPVBQESA-N 0 3 200.282 0.280 20 0 BCADHN Cn1nnc2c1CC[C@H](NCc1cncs1)C2 ZINC000655843219 490260687 /nfs/dbraw/zinc/26/06/87/490260687.db2.gz SYPMMPACIDGURM-QMMMGPOBSA-N 0 3 249.343 0.919 20 0 BCADHN C[C@@H](N)C(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000082255900 490275775 /nfs/dbraw/zinc/27/57/75/490275775.db2.gz AOKWCQGZVQKFAL-PHDIDXHHSA-N 0 3 242.304 0.675 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@@H]1CCCNC(=O)C1 ZINC000229001419 490318330 /nfs/dbraw/zinc/31/83/30/490318330.db2.gz XQUJEQSYTZPPMY-VHSXEESVSA-N 0 3 241.335 0.158 20 0 BCADHN CC[C@@H]1CC[C@@H]1N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000668505830 490341418 /nfs/dbraw/zinc/34/14/18/490341418.db2.gz DGSMBSLKTFOTDX-RCWTZXSCSA-N 0 3 247.360 0.577 20 0 BCADHN CC[C@H](N)c1cn(-c2ccn(C)n2)nn1 ZINC000229930497 490366857 /nfs/dbraw/zinc/36/68/57/490366857.db2.gz GLPJUIVZCPPVDY-ZETCQYMHSA-N 0 3 206.253 0.411 20 0 BCADHN CC[C@H](N)c1cn(C[C@H]2CCOC2)nn1 ZINC000229942589 490368900 /nfs/dbraw/zinc/36/89/00/490368900.db2.gz CLWYCECQLLXMGV-BDAKNGLRSA-N 0 3 210.281 0.724 20 0 BCADHN CN1CCC(C(=O)Nc2c[nH]ccc2=O)CC1 ZINC000073304991 490429407 /nfs/dbraw/zinc/42/94/07/490429407.db2.gz FAOWIPDNPNMLDR-UHFFFAOYSA-N 0 3 235.287 0.655 20 0 BCADHN CN1CCC[C@H](NC(=O)NCC(F)F)C1 ZINC000073811988 490441618 /nfs/dbraw/zinc/44/16/18/490441618.db2.gz NYAUEDOWEWLLNG-ZETCQYMHSA-N 0 3 221.251 0.645 20 0 BCADHN c1nnc2c(NCCN3CCCC3)nccn12 ZINC000079470003 490446074 /nfs/dbraw/zinc/44/60/74/490446074.db2.gz PAESKSZLUCPYSD-UHFFFAOYSA-N 0 3 232.291 0.632 20 0 BCADHN COCCOCCN1CCC[C@@H]1COC ZINC000079498132 490446890 /nfs/dbraw/zinc/44/68/90/490446890.db2.gz ODUSUPQMWIFTPZ-LLVKDONJSA-N 0 3 217.309 0.760 20 0 BCADHN C[C@H]1COCC[C@H]1NCc1cncnc1 ZINC000300893823 490571403 /nfs/dbraw/zinc/57/14/03/490571403.db2.gz UVGLPPAZFIOHKD-GXSJLCMTSA-N 0 3 207.277 0.991 20 0 BCADHN CC(C)NC(=O)CN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000128568648 490581804 /nfs/dbraw/zinc/58/18/04/490581804.db2.gz PBMZTTXBIUARSI-QWRGUYRKSA-N 0 3 239.363 0.726 20 0 BCADHN C[C@@H](CNC(=O)N1CC[C@@H](C)C1)N(C)C ZINC000334697201 490614499 /nfs/dbraw/zinc/61/44/99/490614499.db2.gz QPPYDJPWYNSMMC-ZJUUUORDSA-N 0 3 213.325 0.988 20 0 BCADHN CCc1nn(C)cc1CN[C@@H](CO)CCOC ZINC000305929028 490623919 /nfs/dbraw/zinc/62/39/19/490623919.db2.gz OEYUQUVJDFKHJE-LLVKDONJSA-N 0 3 241.335 0.470 20 0 BCADHN CC(C)OCCN(CC(N)=O)C(C)(C)C ZINC000131312904 490629745 /nfs/dbraw/zinc/62/97/45/490629745.db2.gz APRNTEUKIAVJNA-UHFFFAOYSA-N 0 3 216.325 0.997 20 0 BCADHN CNS(=O)(=O)CCCNCc1ccccc1 ZINC000307167534 490653216 /nfs/dbraw/zinc/65/32/16/490653216.db2.gz RXFHZMLFMCQMIN-UHFFFAOYSA-N 0 3 242.344 0.716 20 0 BCADHN O=C(CN1CC[C@]2(C1)CCCOC2)NC1CC1 ZINC000368505479 490691772 /nfs/dbraw/zinc/69/17/72/490691772.db2.gz VUMAZLWOWLCZFQ-ZDUSSCGKSA-N 0 3 238.331 0.768 20 0 BCADHN CC[C@@H](C)C(=O)N[C@@H](CO)CN(C)C ZINC000673521570 491120681 /nfs/dbraw/zinc/12/06/81/491120681.db2.gz QRRSFPSVMQGKNN-RKDXNWHRSA-N 0 3 202.298 0.071 20 0 BCADHN CC(C)N(C(=O)C(C)S(C)(=O)=O)C1CC1 ZINC000408150205 491072524 /nfs/dbraw/zinc/07/25/24/491072524.db2.gz UTILAJRAJKYJIM-QMMMGPOBSA-N 0 3 233.333 0.819 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085631653 491050488 /nfs/dbraw/zinc/05/04/88/491050488.db2.gz NUXIROQLVMMODS-RCWTZXSCSA-N 0 3 240.347 0.914 20 0 BCADHN CC[C@@H](C(N)=O)N(C)CCCCCO ZINC000227112866 491055128 /nfs/dbraw/zinc/05/51/28/491055128.db2.gz LBDFJGGFKWQEOX-VIFPVBQESA-N 0 3 202.298 0.345 20 0 BCADHN CC(C)[C@@H](N)c1cn([C@@H]2CCN(C)C2=O)nn1 ZINC000379622772 491067364 /nfs/dbraw/zinc/06/73/64/491067364.db2.gz WXUNDZFJKUBIHM-NXEZZACHSA-N 0 3 237.307 0.337 20 0 BCADHN C[C@@H](CNC(=O)CCn1cccc1)N(C)C ZINC000665550381 491069431 /nfs/dbraw/zinc/06/94/31/491069431.db2.gz DCWROHPUIRLNMB-NSHDSACASA-N 0 3 223.320 0.945 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153186895 491091973 /nfs/dbraw/zinc/09/19/73/491091973.db2.gz NSWYNXPHBZHRKT-OUAUKWLOSA-N 0 3 227.352 0.569 20 0 BCADHN Cc1nccnc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000669184434 491092704 /nfs/dbraw/zinc/09/27/04/491092704.db2.gz ZFFWSZOLYUWVMO-ONGXEEELSA-N 0 3 248.330 0.998 20 0 BCADHN O=C(CN[C@H]1C[C@H](O)C12CCC2)NC1CC1 ZINC000661836701 491092954 /nfs/dbraw/zinc/09/29/54/491092954.db2.gz GVGGPNBCPMYCGG-UWVGGRQHSA-N 0 3 224.304 0.158 20 0 BCADHN CN1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H](CN)C1 ZINC000662430554 491100921 /nfs/dbraw/zinc/10/09/21/491100921.db2.gz ZXQUYAWYGYMCHF-NOOOWODRSA-N 0 3 237.347 0.134 20 0 BCADHN COC[C@H](C)N1CCN(CCCF)CC1 ZINC000137534540 491102693 /nfs/dbraw/zinc/10/26/93/491102693.db2.gz YZPRQIXRRDMVSI-NSHDSACASA-N 0 3 218.316 0.999 20 0 BCADHN CNCC(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000659362850 491104349 /nfs/dbraw/zinc/10/43/49/491104349.db2.gz XVVCOHVNWAOKEF-IUCAKERBSA-N 0 3 200.282 0.280 20 0 BCADHN COc1ccnc(NC(=O)[C@@H]2OCC[C@@H]2N)c1 ZINC000638443676 491112922 /nfs/dbraw/zinc/11/29/22/491112922.db2.gz SHZSJNGNNLZVDL-WCBMZHEXSA-N 0 3 237.259 0.145 20 0 BCADHN COCC[C@H](C)N1CCN(CC(C)(C)O)CC1 ZINC000122703385 491115320 /nfs/dbraw/zinc/11/53/20/491115320.db2.gz DYKIFELHONOECB-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN CC[C@H](C)C(=O)N[C@H](CO)CN(C)C ZINC000673521568 491120672 /nfs/dbraw/zinc/12/06/72/491120672.db2.gz QRRSFPSVMQGKNN-IUCAKERBSA-N 0 3 202.298 0.071 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)C1CCCCC1 ZINC000673523472 491121412 /nfs/dbraw/zinc/12/14/12/491121412.db2.gz XSKXYJLMZZIFCO-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN C[C@](O)(CO)CNCc1cccc2c1OCO2 ZINC000090285987 491124329 /nfs/dbraw/zinc/12/43/29/491124329.db2.gz ZQZNEOPYNYILRM-GFCCVEGCSA-N 0 3 239.271 0.248 20 0 BCADHN Cc1nc2ccccn2c1CNC[C@@](C)(O)CO ZINC000090285530 491124334 /nfs/dbraw/zinc/12/43/34/491124334.db2.gz XEDYICKOJALPQG-CYBMUJFWSA-N 0 3 249.314 0.476 20 0 BCADHN CC(C)CN1CCN(c2nccnn2)CC1 ZINC000625636981 491125185 /nfs/dbraw/zinc/12/51/85/491125185.db2.gz GHBWNYVZQILYJL-UHFFFAOYSA-N 0 3 221.308 0.650 20 0 BCADHN C[C@H]1C[C@@H](NCC(=O)NCc2ccco2)CO1 ZINC000647170056 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/nfs/dbraw/zinc/83/20/17/536832017.db2.gz UJODFSYQVRHCHF-SCZZXKLOSA-N 0 3 218.272 0.087 20 0 BCADHN COCCN(CCOC)C(=O)[C@@H](C)NC1CC1 ZINC000262015912 536843989 /nfs/dbraw/zinc/84/39/89/536843989.db2.gz VYYJLSJPCUOXHC-SNVBAGLBSA-N 0 3 244.335 0.248 20 0 BCADHN CO[C@H](C(=O)NCCN(C)C)C(C)C ZINC000350069810 536845553 /nfs/dbraw/zinc/84/55/53/536845553.db2.gz HMAMXFXIQDDHEK-VIFPVBQESA-N 0 3 202.298 0.335 20 0 BCADHN CO[C@@H](C)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000172233377 536857899 /nfs/dbraw/zinc/85/78/99/536857899.db2.gz MEEWGNIQADVNQN-WDEREUQCSA-N 0 3 228.336 0.822 20 0 BCADHN COCCNCC(=O)N(C)CCC1CC1 ZINC000261536133 536893010 /nfs/dbraw/zinc/89/30/10/536893010.db2.gz QMWDEJAESMWANK-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN COc1ccc(CNC[C@@H](C)CO)cn1 ZINC000164216242 536893107 /nfs/dbraw/zinc/89/31/07/536893107.db2.gz MKJFCEOLUSNBGG-SECBINFHSA-N 0 3 210.277 0.808 20 0 BCADHN COCC[C@@H](C)N1CC[C@@H](NC(N)=O)C1 ZINC000342868736 538055716 /nfs/dbraw/zinc/05/57/16/538055716.db2.gz 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0.748 20 0 BCADHN CCN1CCC(NC(=O)[C@H](O)C2CCC2)CC1 ZINC000449181379 566289385 /nfs/dbraw/zinc/28/93/85/566289385.db2.gz GZSGLKYBKSFFRQ-GFCCVEGCSA-N 0 3 240.347 0.748 20 0 BCADHN Cc1cc(F)ncc1CNCC1(CO)COC1 ZINC000893190246 583068199 /nfs/dbraw/zinc/06/81/99/583068199.db2.gz BUYBJAYAPXFKCM-UHFFFAOYSA-N 0 3 240.278 0.628 20 0 BCADHN C[C@H](O)CN[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893227381 583074488 /nfs/dbraw/zinc/07/44/88/583074488.db2.gz YMNAOTVNPJDUNO-GUBZILKMSA-N 0 3 233.283 0.591 20 0 BCADHN C[C@@H](CCNC(=O)c1cc(C=O)c[nH]1)N(C)C ZINC000855417596 583103216 /nfs/dbraw/zinc/10/32/16/583103216.db2.gz KVDLLWKRIIJMMO-VIFPVBQESA-N 0 3 237.303 0.897 20 0 BCADHN CCN(C)C(=O)CN[C@H](C)COCCOC ZINC000893685593 583199278 /nfs/dbraw/zinc/19/92/78/583199278.db2.gz PNTWEVXVVKLDPP-SNVBAGLBSA-N 0 3 232.324 0.106 20 0 BCADHN C[C@@H]1CN(Cc2cc[nH]c(=O)c2)CC[C@H]1O ZINC000893712724 583210371 /nfs/dbraw/zinc/21/03/71/583210371.db2.gz UNPGKWUJYGIFSX-MWLCHTKSSA-N 0 3 222.288 0.990 20 0 BCADHN CN1C[C@H]2CCN(c3cnccn3)[C@H]2C1 ZINC000893934554 583252985 /nfs/dbraw/zinc/25/29/85/583252985.db2.gz HMRIYBPEKSDLBV-ZJUUUORDSA-N 0 3 204.277 0.617 20 0 BCADHN Cc1ccnc(N2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000893941105 583254503 /nfs/dbraw/zinc/25/45/03/583254503.db2.gz QROPYIFFWIXSAU-WDEREUQCSA-N 0 3 218.304 0.925 20 0 BCADHN CN1C[C@H]2CCN(c3nccnc3F)[C@H]2C1 ZINC000893937027 583253996 /nfs/dbraw/zinc/25/39/96/583253996.db2.gz YQDSAOCELBDCPJ-BDAKNGLRSA-N 0 3 222.267 0.756 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H](C)C(=O)N(C)C ZINC000893997247 583269543 /nfs/dbraw/zinc/26/95/43/583269543.db2.gz KDZASTVISMAONS-YUMQZZPRSA-N 0 3 216.281 0.004 20 0 BCADHN CC12CC(C1)CN2C(=O)C1=NO[C@H](CN)C1 ZINC000852931298 588714066 /nfs/dbraw/zinc/71/40/66/588714066.db2.gz ZEHNWJCJEHTSPW-KAIZJQOQSA-N 0 3 223.276 0.101 20 0 BCADHN CN(C)CCNC(=S)NCc1ncccn1 ZINC000853028281 588716886 /nfs/dbraw/zinc/71/68/86/588716886.db2.gz YPDHLTLLQLYAKL-UHFFFAOYSA-N 0 3 239.348 0.002 20 0 BCADHN Cn1nccc1CNC[C@@H](O)c1ccccn1 ZINC000853096796 588719647 /nfs/dbraw/zinc/71/96/47/588719647.db2.gz MDEZPRMXKUCEFS-GFCCVEGCSA-N 0 3 232.287 0.638 20 0 BCADHN O[C@@H](CN[C@H]1CCN(C2CC2)C1)c1ccccn1 ZINC000853098739 588720014 /nfs/dbraw/zinc/72/00/14/588720014.db2.gz LTPSWJYHCXZEAY-FZMZJTMJSA-N 0 3 247.342 0.941 20 0 BCADHN OCC1(CNC[C@H](O)c2ccccn2)CCC1 ZINC000853108204 588721018 /nfs/dbraw/zinc/72/10/18/588721018.db2.gz DPLUDYJUNZWTDZ-LBPRGKRZSA-N 0 3 236.315 0.867 20 0 BCADHN CCS(=O)(=O)C1(CNC[C@@H](O)C2CC2)CC1 ZINC000853117651 588721464 /nfs/dbraw/zinc/72/14/64/588721464.db2.gz YSZFIZXKAMIRQQ-SNVBAGLBSA-N 0 3 247.360 0.314 20 0 BCADHN O[C@@H](CNCCOCCF)c1ccccn1 ZINC000853133888 588722175 /nfs/dbraw/zinc/72/21/75/588722175.db2.gz PAZCTOKFNPPVOB-NSHDSACASA-N 0 3 228.267 0.691 20 0 BCADHN C[C@@H]1COC[C@H]1OC(=O)C1CCN(C)C1=O ZINC000853197080 588724647 /nfs/dbraw/zinc/72/46/47/588724647.db2.gz LZLDOQVYEZMTRF-IWSPIJDZSA-N 0 3 227.260 0.043 20 0 BCADHN O=C(C=C1CCCC1)N1CCOC2(CNC2)C1 ZINC000853245594 588728602 /nfs/dbraw/zinc/72/86/02/588728602.db2.gz MMVBTPANNZLETF-UHFFFAOYSA-N 0 3 236.315 0.688 20 0 BCADHN c1nncn1CN1CC[C@H]2COC[C@H]2C1 ZINC000853586971 588748294 /nfs/dbraw/zinc/74/82/94/588748294.db2.gz CHSZLDZUWCZENV-VHSXEESVSA-N 0 3 208.265 0.204 20 0 BCADHN CC[C@H]1CC(=O)N(CN(C)CC2CN(C)C2)C1 ZINC000853553501 588748472 /nfs/dbraw/zinc/74/84/72/588748472.db2.gz OYYNVLKAMQEEMM-NSHDSACASA-N 0 3 239.363 0.696 20 0 BCADHN C[C@@H]1CC(=O)N(CN(C)CC2CN(C)C2)C1 ZINC000853553848 588748630 /nfs/dbraw/zinc/74/86/30/588748630.db2.gz UDBNCQDVWRKGIL-SNVBAGLBSA-N 0 3 225.336 0.306 20 0 BCADHN CCCN1CC[C@H](NC(=O)c2noc(C)n2)C1 ZINC000853859011 588766274 /nfs/dbraw/zinc/76/62/74/588766274.db2.gz OPQSCKKRYXPABB-VIFPVBQESA-N 0 3 238.291 0.592 20 0 BCADHN CCONC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000854001052 588771242 /nfs/dbraw/zinc/77/12/42/588771242.db2.gz DSGYBLQEQVTTBM-SECBINFHSA-N 0 3 215.297 0.674 20 0 BCADHN CCC/C=C\C(=O)N1CCOC2(CNC2)C1 ZINC000854016450 588771756 /nfs/dbraw/zinc/77/17/56/588771756.db2.gz WNDPPIJWURTWDO-PLNGDYQASA-N 0 3 224.304 0.544 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H]1C=CCC1 ZINC000854221769 588780380 /nfs/dbraw/zinc/78/03/80/588780380.db2.gz VAXNRLOZGMXRSZ-GARJFASQSA-N 0 3 224.304 0.588 20 0 BCADHN CC[C@H](O)CC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000854357408 588784848 /nfs/dbraw/zinc/78/48/48/588784848.db2.gz DNIOFAAEFBDAJH-VIFPVBQESA-N 0 3 230.308 0.289 20 0 BCADHN CCC[C@H](O)CC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000854357473 588784857 /nfs/dbraw/zinc/78/48/57/588784857.db2.gz GXJPKOJXEHZBTK-JTQLQIEISA-N 0 3 244.335 0.680 20 0 BCADHN CCO/C=C/C(=O)NOC1CCN(C)CC1 ZINC000854358207 588785292 /nfs/dbraw/zinc/78/52/92/588785292.db2.gz SMRXWMCHGDQLTE-RMKNXTFCSA-N 0 3 228.292 0.679 20 0 BCADHN CCCC[C@@](C)(F)C(=O)N[C@H](CO)CN(C)C ZINC000854467648 588788833 /nfs/dbraw/zinc/78/88/33/588788833.db2.gz WYRYCOLUJVYWKU-CMPLNLGQSA-N 0 3 248.342 0.944 20 0 BCADHN CCCC[C@@](C)(F)C(=O)N[C@@H](CO)CN(C)C ZINC000854467651 588788890 /nfs/dbraw/zinc/78/88/90/588788890.db2.gz WYRYCOLUJVYWKU-ZYHUDNBSSA-N 0 3 248.342 0.944 20 0 BCADHN C[C@H](CC(=O)N[C@@H](CO)CN(C)C)C1CC1 ZINC000854466430 588788973 /nfs/dbraw/zinc/78/89/73/588788973.db2.gz CONMTHMPPUYMAA-MWLCHTKSSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1COC(=O)C1 ZINC000854556307 588794254 /nfs/dbraw/zinc/79/42/54/588794254.db2.gz PPNTWPCABCJQFG-BBBLOLIVSA-N 0 3 240.303 0.291 20 0 BCADHN CN1CC[C@@]2(CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000854605265 588796866 /nfs/dbraw/zinc/79/68/66/588796866.db2.gz JKLVTXAHKRSUHO-CYBMUJFWSA-N 0 3 248.330 0.506 20 0 BCADHN C[C@@H]1[C@H](N(C)C)CCN1C(=O)[C@H]1CCC(=O)C1 ZINC000854653301 588799278 /nfs/dbraw/zinc/79/92/78/588799278.db2.gz XYQCJFZECNCUKC-JFGNBEQYSA-N 0 3 238.331 0.907 20 0 BCADHN CN(C)CCONC(=O)c1ccnn1C(F)F ZINC000854690449 588801847 /nfs/dbraw/zinc/80/18/47/588801847.db2.gz CPLBHBXAJSLVSN-UHFFFAOYSA-N 0 3 248.233 0.501 20 0 BCADHN CC1=NO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC000854790688 588809699 /nfs/dbraw/zinc/80/96/99/588809699.db2.gz GZMYQEOARRPIKD-JTQLQIEISA-N 0 3 227.308 0.608 20 0 BCADHN CC1=NO[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC000854797732 588810269 /nfs/dbraw/zinc/81/02/69/588810269.db2.gz VWKPFBAPSBPPCL-QWRGUYRKSA-N 0 3 241.335 0.854 20 0 BCADHN CON1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000854856206 588813569 /nfs/dbraw/zinc/81/35/69/588813569.db2.gz WLDURAZNHPSPRW-UHFFFAOYSA-N 0 3 241.335 0.176 20 0 BCADHN CN(C)C1(C(=O)NCC2CSC2)CCC1 ZINC000854872217 588814906 /nfs/dbraw/zinc/81/49/06/588814906.db2.gz MOGTYADDTPPPLH-UHFFFAOYSA-N 0 3 228.361 0.950 20 0 BCADHN CN(C)CCONC(=O)[C@H]1C[C@@H]1C(F)F ZINC000854944999 588817573 /nfs/dbraw/zinc/81/75/73/588817573.db2.gz GICMPHJAOVMFHX-BQBZGAKWSA-N 0 3 222.235 0.497 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)CCc1cncnc1 ZINC000854945161 588817625 /nfs/dbraw/zinc/81/76/25/588817625.db2.gz IZSKITYTERYWCU-UHFFFAOYSA-N 0 3 238.291 0.019 20 0 BCADHN C[C@H]1C[C@H](C(=O)NOCCN(C)C)CCO1 ZINC000854945817 588817754 /nfs/dbraw/zinc/81/77/54/588817754.db2.gz QQPSGYWAUHDDSK-VHSXEESVSA-N 0 3 230.308 0.411 20 0 BCADHN C[C@@H]1C[C@H](C(=O)NOCCN(C)C)CCO1 ZINC000854945815 588817756 /nfs/dbraw/zinc/81/77/56/588817756.db2.gz QQPSGYWAUHDDSK-NXEZZACHSA-N 0 3 230.308 0.411 20 0 BCADHN CCn1cc(C(=O)NOCCN(C)C)cn1 ZINC000854945157 588817796 /nfs/dbraw/zinc/81/77/96/588817796.db2.gz DCJNBTRYYLFJNK-UHFFFAOYSA-N 0 3 226.280 0.126 20 0 BCADHN CN(C)CCONC(=O)[C@H]1C[C@]12CCOC2 ZINC000854945183 588817825 /nfs/dbraw/zinc/81/78/25/588817825.db2.gz DLZOOWXPYZQIGK-KOLCDFICSA-N 0 3 228.292 0.022 20 0 BCADHN COC(=O)CCCCC(=O)[N-]OCC[NH+](C)C ZINC000854945705 588817850 /nfs/dbraw/zinc/81/78/50/588817850.db2.gz YESKPYBMPQDKQP-UHFFFAOYSA-N 0 3 246.307 0.329 20 0 BCADHN CCOc1cc(C(=O)NOCCN(C)C)on1 ZINC000854945665 588818169 /nfs/dbraw/zinc/81/81/69/588818169.db2.gz WOJIROQRMZZPEZ-UHFFFAOYSA-N 0 3 243.263 0.296 20 0 BCADHN CN(C)CCONC(=O)c1cnc2[nH]ccc2c1 ZINC000854947186 588818201 /nfs/dbraw/zinc/81/82/01/588818201.db2.gz JOIVMDBBUKHMFN-UHFFFAOYSA-N 0 3 248.286 0.738 20 0 BCADHN COCc1ccc(C(=O)NOCCN(C)C)o1 ZINC000854947157 588818341 /nfs/dbraw/zinc/81/83/41/588818341.db2.gz ILYAAPBRULDNAQ-UHFFFAOYSA-N 0 3 242.275 0.649 20 0 BCADHN C[C@@H](CNC(=O)/C=C/c1cnn(C)c1)N(C)C ZINC000855009735 588820182 /nfs/dbraw/zinc/82/01/82/588820182.db2.gz QDXLDVVQDSSGCY-PORFMDCZSA-N 0 3 236.319 0.500 20 0 BCADHN C[C@@H](CNC(=O)/C=C/[C@@H]1CCCO1)N(C)C ZINC000855008979 588820217 /nfs/dbraw/zinc/82/02/17/588820217.db2.gz FXPMDCBTOKBBPR-JYLGIWJRSA-N 0 3 226.320 0.788 20 0 BCADHN CN(C)C1(C(=O)N[C@@H](CO)C2CCC2)CCC1 ZINC000855264807 588826991 /nfs/dbraw/zinc/82/69/91/588826991.db2.gz XCUGJSDGPICAFR-NSHDSACASA-N 0 3 240.347 0.748 20 0 BCADHN CN(c1ccnc(CO)c1)[C@H]1CCN(C)C1=O ZINC000858418513 582460285 /nfs/dbraw/zinc/46/02/85/582460285.db2.gz TVLPYNXMWPJSIJ-NSHDSACASA-N 0 3 235.287 0.241 20 0 BCADHN CCN(C(=O)C1=COCC1)[C@H]1CCN(C)C1 ZINC000855363725 588829452 /nfs/dbraw/zinc/82/94/52/588829452.db2.gz VYVMHJOOHCAMAJ-NSHDSACASA-N 0 3 224.304 0.843 20 0 BCADHN CN(CC(=O)N1CC[C@@H](O)[C@@H](F)C1)C1CCC1 ZINC000890684324 582504219 /nfs/dbraw/zinc/50/42/19/582504219.db2.gz KJHGISWNCGEHSR-WDEREUQCSA-N 0 3 244.310 0.402 20 0 BCADHN CN(C)C1(C(=O)N2CC[C@@H](O)[C@H](F)C2)CCC1 ZINC000890686745 582504481 /nfs/dbraw/zinc/50/44/81/582504481.db2.gz IFDRQVUYXLHALA-NXEZZACHSA-N 0 3 244.310 0.402 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC000890700888 582508791 /nfs/dbraw/zinc/50/87/91/582508791.db2.gz ZWIUHASJEDGROF-NXEZZACHSA-N 0 3 232.299 0.260 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@H](O)[C@H](F)C1 ZINC000890702840 582509859 /nfs/dbraw/zinc/50/98/59/582509859.db2.gz SANDXBPNODQMSP-ZJUUUORDSA-N 0 3 232.299 0.258 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC000891045520 582600908 /nfs/dbraw/zinc/60/09/08/582600908.db2.gz HABQPIOKQBBQOT-CMPLNLGQSA-N 0 3 249.314 0.802 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@H]1COC[C@H]1C1CC1 ZINC000891045521 582601288 /nfs/dbraw/zinc/60/12/88/582601288.db2.gz HABQPIOKQBBQOT-JQWIXIFHSA-N 0 3 249.314 0.802 20 0 BCADHN CN(C)C1(C(=O)N(C)CC2CN(C)C2)CCC1 ZINC000855642130 588843091 /nfs/dbraw/zinc/84/30/91/588843091.db2.gz UGTCWIPUPGDAJW-UHFFFAOYSA-N 0 3 239.363 0.491 20 0 BCADHN COCCNC(=O)N1CCC12CCN(C)CC2 ZINC000891408575 582679467 /nfs/dbraw/zinc/67/94/67/582679467.db2.gz KQJOYZGHNKRFCB-UHFFFAOYSA-N 0 3 241.335 0.513 20 0 BCADHN COc1ccc(CN2CC[C@H](C(N)=O)C2)o1 ZINC000891442049 582686310 /nfs/dbraw/zinc/68/63/10/582686310.db2.gz ZRRJKIGLBCFAPI-QMMMGPOBSA-N 0 3 224.260 0.595 20 0 BCADHN COC[C@H](C)NC(=O)NCCN1CC[C@@H](C)C1 ZINC000891468273 582691393 /nfs/dbraw/zinc/69/13/93/582691393.db2.gz UTCLLQPGAZLGFO-MNOVXSKESA-N 0 3 243.351 0.662 20 0 BCADHN CC(C)NC(=O)CCNc1ccncc1CO ZINC000891683433 582709881 /nfs/dbraw/zinc/70/98/81/582709881.db2.gz BUWWFAWXVBMQEF-UHFFFAOYSA-N 0 3 237.303 0.322 20 0 BCADHN C[C@H](Cn1cccn1)Nc1ccncc1CO ZINC000891793852 582721665 /nfs/dbraw/zinc/72/16/65/582721665.db2.gz MTZNWDPFSVWEOA-SNVBAGLBSA-N 0 3 232.287 0.693 20 0 BCADHN C[C@H](CNc1ccncc1CO)Cn1cccn1 ZINC000891861615 582730727 /nfs/dbraw/zinc/73/07/27/582730727.db2.gz ITIFNKBTYJEUJC-LLVKDONJSA-N 0 3 246.314 0.941 20 0 BCADHN OCc1cnc(N[C@H]2CCN(C3CC3)C2)cn1 ZINC000892001173 582758162 /nfs/dbraw/zinc/75/81/62/582758162.db2.gz WVJUZLOCBUSYIG-VIFPVBQESA-N 0 3 234.303 0.618 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cc(C)ccc1C(N)=O ZINC000848442519 582789012 /nfs/dbraw/zinc/78/90/12/582789012.db2.gz DYEXDJUUHDGQDO-SECBINFHSA-N 0 3 235.287 0.770 20 0 BCADHN CC(C)C[C@H](O)CNc1ccncc1CO ZINC000892132046 582797348 /nfs/dbraw/zinc/79/73/48/582797348.db2.gz WGRDRVZEUAARNC-NSHDSACASA-N 0 3 224.304 0.815 20 0 BCADHN CN(Cc1cccc(O)c1)C[C@@H]1CNCCO1 ZINC000125513741 582825380 /nfs/dbraw/zinc/82/53/80/582825380.db2.gz PGNUSWNKHBMMEC-ZDUSSCGKSA-N 0 3 236.315 0.812 20 0 BCADHN CC[C@H](C(=O)N(C)C[C@H](O)C1CC1)N(C)C ZINC000305117551 582825497 /nfs/dbraw/zinc/82/54/97/582825497.db2.gz INONSNGQKKFKBV-MNOVXSKESA-N 0 3 228.336 0.556 20 0 BCADHN C[C@H]1NCCN(C(=O)Nc2cnn(C)c2)[C@H]1C ZINC000892310512 582836121 /nfs/dbraw/zinc/83/61/21/582836121.db2.gz JNLHVNFBJRMNTF-BDAKNGLRSA-N 0 3 237.307 0.634 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CC[C@H]1CO ZINC000889136541 582836759 /nfs/dbraw/zinc/83/67/59/582836759.db2.gz KHFRJEKTBXLFOI-QWRGUYRKSA-N 0 3 226.320 0.454 20 0 BCADHN CN(CCC(=O)N1CC[C@H]1CO)c1ccncc1 ZINC000889148036 582847034 /nfs/dbraw/zinc/84/70/34/582847034.db2.gz PUWGOMHIXZSOHE-LBPRGKRZSA-N 0 3 249.314 0.501 20 0 BCADHN Cc1cc(N)nc(NCCn2cncn2)n1 ZINC000892327732 582851214 /nfs/dbraw/zinc/85/12/14/582851214.db2.gz ORCTZNHKLWAIOB-UHFFFAOYSA-N 0 3 219.252 0.071 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CC12CC(O)C2 ZINC000888963279 582857976 /nfs/dbraw/zinc/85/79/76/582857976.db2.gz SQTRUXAUORIMNF-SQLBVSGCSA-N 0 3 226.320 0.358 20 0 BCADHN CCCN1CC[C@@H](NC(=O)[C@H](O)C(C)(C)C)C1 ZINC000856073304 588859571 /nfs/dbraw/zinc/85/95/71/588859571.db2.gz NJIXBTMAQCNPMJ-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC000856073202 588859624 /nfs/dbraw/zinc/85/96/24/588859624.db2.gz KZSJWASAHPPUSG-VIFPVBQESA-N 0 3 237.307 0.327 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@@H](CC)CO)C1 ZINC000856073263 588859682 /nfs/dbraw/zinc/85/96/82/588859682.db2.gz MOBQYSUWMHZMEK-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN COCCN[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892429467 582885563 /nfs/dbraw/zinc/88/55/63/582885563.db2.gz LANUNIIIRQRNGG-NXEZZACHSA-N 0 3 233.283 0.856 20 0 BCADHN CCC[C@H](O)CNc1nc(C)cc(N)n1 ZINC000892501902 582899276 /nfs/dbraw/zinc/89/92/76/582899276.db2.gz HLAZPBQNUWEHLG-QMMMGPOBSA-N 0 3 210.281 0.940 20 0 BCADHN Cc1cc(N)nc(NCC2(C)COC2)n1 ZINC000892505770 582900844 /nfs/dbraw/zinc/90/08/44/582900844.db2.gz KBLOACQRQRUCMS-UHFFFAOYSA-N 0 3 208.265 0.816 20 0 BCADHN COC[C@H](C)NCC[S@](=O)CC(F)(F)F ZINC000850350024 582913193 /nfs/dbraw/zinc/91/31/93/582913193.db2.gz NCTOCMVCYDMAIC-ZIDLFYJRSA-N 0 3 247.282 0.922 20 0 BCADHN CC[C@@H](C)NC(=O)CCN[C@@H](C)COC(C)=O ZINC000892618963 582931718 /nfs/dbraw/zinc/93/17/18/582931718.db2.gz PYUUXXUCGGHHAV-ZJUUUORDSA-N 0 3 244.335 0.832 20 0 BCADHN C[C@H](O)C[C@H](C)CNc1ccncc1CO ZINC000892644485 582937434 /nfs/dbraw/zinc/93/74/34/582937434.db2.gz FAWZWPAPQAYNOC-UWVGGRQHSA-N 0 3 224.304 0.815 20 0 BCADHN CC[C@H](CCO)Nc1ccncc1CO ZINC000892651437 582940281 /nfs/dbraw/zinc/94/02/81/582940281.db2.gz YNAVWNWZXCPCMK-SNVBAGLBSA-N 0 3 210.277 0.569 20 0 BCADHN CSCCNC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000892655145 582940554 /nfs/dbraw/zinc/94/05/54/582940554.db2.gz PRIJSKBBTBVSBE-UWVGGRQHSA-N 0 3 243.376 0.695 20 0 BCADHN Cn1cncc1C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892773102 582979514 /nfs/dbraw/zinc/97/95/14/582979514.db2.gz BBQHPDMXCZRNET-CYBMUJFWSA-N 0 3 248.330 0.634 20 0 BCADHN C[C@]1(NC(=O)Cn2cccn2)CN2CCC1CC2 ZINC000892792998 582983294 /nfs/dbraw/zinc/98/32/94/582983294.db2.gz MQPDWXNAFRVWLY-ZDUSSCGKSA-N 0 3 248.330 0.484 20 0 BCADHN C[C@@]1(NC(=O)c2ccn[nH]2)CN2CCC1CC2 ZINC000892789822 582984164 /nfs/dbraw/zinc/98/41/64/582984164.db2.gz UYYWNFSBWSYVPQ-GFCCVEGCSA-N 0 3 234.303 0.624 20 0 BCADHN CCOCC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892788992 582984219 /nfs/dbraw/zinc/98/42/19/582984219.db2.gz JZRIBZJEXJBCHV-LBPRGKRZSA-N 0 3 226.320 0.623 20 0 BCADHN CCC(=O)N1CC[C@H](Nc2nc(C)cc(N)n2)C1 ZINC000892929192 583011267 /nfs/dbraw/zinc/01/12/67/583011267.db2.gz MKRDJNGFPVQBAT-VIFPVBQESA-N 0 3 249.318 0.790 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](O)C(C)(C)C)C[C@H](C)N1 ZINC000856408388 588871999 /nfs/dbraw/zinc/87/19/99/588871999.db2.gz LWMGYQISXHNJML-AXFHLTTASA-N 0 3 242.363 0.992 20 0 BCADHN COC(=O)/C(C)=C\CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000852585135 583015379 /nfs/dbraw/zinc/01/53/79/583015379.db2.gz YQMQRAAMHWMDGI-MTUFZTHRSA-N 0 3 239.315 0.999 20 0 BCADHN C[C@@H]1CCC[C@@H](C)N1C(=O)C1=NO[C@@H](CN)C1 ZINC000852799430 583016834 /nfs/dbraw/zinc/01/68/34/583016834.db2.gz GTDPOPACCJHUEI-OPRDCNLKSA-N 0 3 239.319 0.880 20 0 BCADHN C[C@@H]1CCCC[C@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852800771 583017732 /nfs/dbraw/zinc/01/77/32/583017732.db2.gz BPKIVGCLYHYKFL-OPRDCNLKSA-N 0 3 239.319 0.785 20 0 BCADHN CC(C)[C@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852852982 583020574 /nfs/dbraw/zinc/02/05/74/583020574.db2.gz OHULEBULZYCQMC-VHSXEESVSA-N 0 3 239.319 0.595 20 0 BCADHN C[C@H](NN1CCN[C@H](C)[C@@H]1C)c1ncnn1C ZINC000852878398 583021731 /nfs/dbraw/zinc/02/17/31/583021731.db2.gz KADCXFAFFHMDGU-UTLUCORTSA-N 0 3 238.339 0.063 20 0 BCADHN Cc1cc(N)nc(N[C@H](CO)CC2CC2)n1 ZINC000892977147 583024591 /nfs/dbraw/zinc/02/45/91/583024591.db2.gz MSYWOWZFKHSOAX-VIFPVBQESA-N 0 3 222.292 0.940 20 0 BCADHN CS[C@H](CO)[C@H](C)N[C@H](C)COC(C)=O ZINC000892995392 583026886 /nfs/dbraw/zinc/02/68/86/583026886.db2.gz QRXKELBYKZCIFP-KHQFGBGNSA-N 0 3 235.349 0.640 20 0 BCADHN CCN1CC[C@@H](NC[C@@H](O)c2ccccn2)C1 ZINC000853109400 583028536 /nfs/dbraw/zinc/02/85/36/583028536.db2.gz ZXHFGZGIFWFMMF-DGCLKSJQSA-N 0 3 235.331 0.799 20 0 BCADHN CC(=O)OC[C@@H](C)NCCC[S@@](C)=O ZINC000893005211 583029512 /nfs/dbraw/zinc/02/95/12/583029512.db2.gz QPWOITDEAHVVKD-XLKFXECMSA-N 0 3 221.322 0.296 20 0 BCADHN CC[C@@H](CO)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000856490033 588873786 /nfs/dbraw/zinc/87/37/86/588873786.db2.gz UFPOKIZCANQCTC-WDEREUQCSA-N 0 3 228.336 0.461 20 0 BCADHN COCCOC[C@@H](C)N[C@@H](C)COC(C)=O ZINC000893079242 583044031 /nfs/dbraw/zinc/04/40/31/583044031.db2.gz HXGGGVBVPZTFJQ-ZJUUUORDSA-N 0 3 233.308 0.579 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)C2(F)CC2)CCN1 ZINC000856489484 588873931 /nfs/dbraw/zinc/87/39/31/588873931.db2.gz GNRICTHHVIPWOW-VIFPVBQESA-N 0 3 214.284 0.945 20 0 BCADHN C[C@H]1C[C@@H](Nc2ccncc2CO)CCO1 ZINC000893087226 583046175 /nfs/dbraw/zinc/04/61/75/583046175.db2.gz AHIFJECFDUWKQQ-ONGXEEELSA-N 0 3 222.288 0.975 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H](C)CC[S@@](C)=O ZINC000893118567 583052087 /nfs/dbraw/zinc/05/20/87/583052087.db2.gz GHRUUCMXFUIJGM-CEFVDNRUSA-N 0 3 235.349 0.685 20 0 BCADHN COCCOC[C@@H](C)NC1CN(C(=O)OC)C1 ZINC000893147223 583057054 /nfs/dbraw/zinc/05/70/54/583057054.db2.gz VLILYNKNIVGYEJ-SECBINFHSA-N 0 3 246.307 0.078 20 0 BCADHN CN(c1ccncc1CO)C1CC(O)C1 ZINC000893168663 583062910 /nfs/dbraw/zinc/06/29/10/583062910.db2.gz VEBKQDNRKIPOTK-UHFFFAOYSA-N 0 3 208.261 0.533 20 0 BCADHN CN(CC1(O)CCC1)c1ccncc1CO ZINC000893174235 583063667 /nfs/dbraw/zinc/06/36/67/583063667.db2.gz WUXRKHBCPSVKGO-UHFFFAOYSA-N 0 3 222.288 0.925 20 0 BCADHN CCn1cc(CNCC[C@H](O)COC)c(C)n1 ZINC000893256641 583079478 /nfs/dbraw/zinc/07/94/78/583079478.db2.gz IQWJWKRDEUNOIU-LBPRGKRZSA-N 0 3 241.335 0.698 20 0 BCADHN CC1(C)[C@@H](O)C[C@@H]1Nc1ccncc1CO ZINC000893264521 583080343 /nfs/dbraw/zinc/08/03/43/583080343.db2.gz DYZYZNBGARFIBU-QWRGUYRKSA-N 0 3 222.288 0.567 20 0 BCADHN Cc1cc(N)nc(N[C@@H]2CCn3ccnc3C2)n1 ZINC000893265480 583080702 /nfs/dbraw/zinc/08/07/02/583080702.db2.gz LHBVXLASJXDQDA-SECBINFHSA-N 0 3 244.302 0.991 20 0 BCADHN c1[nH]nc2c1C[C@H](NCc1cnccn1)CC2 ZINC000856769859 588876672 /nfs/dbraw/zinc/87/66/72/588876672.db2.gz FNAWEISLXLYHSZ-SNVBAGLBSA-N 0 3 229.287 0.847 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H](C)COC(C)=O ZINC000893318711 583099580 /nfs/dbraw/zinc/09/95/80/583099580.db2.gz COUZKGUEMYYLSH-YUMQZZPRSA-N 0 3 216.281 0.052 20 0 BCADHN CC[C@@](C)(CO)NC1CC(S(C)(=O)=O)C1 ZINC000893323569 583101031 /nfs/dbraw/zinc/10/10/31/583101031.db2.gz GRNWCMNPAZECPH-RTBKNWGFSA-N 0 3 235.349 0.313 20 0 BCADHN CCOc1cncc(CNC[C@H](O)COC)c1 ZINC000856785471 588877482 /nfs/dbraw/zinc/87/74/82/588877482.db2.gz JRSPICUKPKEQOG-NSHDSACASA-N 0 3 240.303 0.577 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@@H]2CCC(=O)C2)CCN1 ZINC000856489694 583120036 /nfs/dbraw/zinc/12/00/36/583120036.db2.gz ITSIDWIUHNGQCQ-PWSUYJOCSA-N 0 3 238.331 0.812 20 0 BCADHN C[C@H](Nc1ccncc1CO)c1ncn(C)n1 ZINC000893368648 583127553 /nfs/dbraw/zinc/12/75/53/583127553.db2.gz YGVLFXRAPHLVLS-QMMMGPOBSA-N 0 3 233.275 0.297 20 0 BCADHN CCO[C@@H]1C[C@@H](NC2(CO)CC2)[C@H]1OC ZINC000893389216 583134294 /nfs/dbraw/zinc/13/42/94/583134294.db2.gz WRVJDEPCXGFHFL-OPRDCNLKSA-N 0 3 215.293 0.293 20 0 BCADHN Cc1cc(N)nc(NC[C@@H]2CC[C@@H](O)C2)n1 ZINC000893436391 583142945 /nfs/dbraw/zinc/14/29/45/583142945.db2.gz ZTYAGBVRCBSYKD-RKDXNWHRSA-N 0 3 222.292 0.940 20 0 BCADHN COC[C@H](CN[C@H](C)COC(C)=O)OC ZINC000893484864 583152797 /nfs/dbraw/zinc/15/27/97/583152797.db2.gz PMEOJJSVAUPBLU-SCZZXKLOSA-N 0 3 219.281 0.189 20 0 BCADHN CCN1C[C@@H](CN[C@@H](C)c2cnccn2)CC1=O ZINC000652296658 583155152 /nfs/dbraw/zinc/15/51/52/583155152.db2.gz ALXQAIGRPSVFJT-WDEREUQCSA-N 0 3 248.330 0.996 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H](C)C[S@](C)=O ZINC000893524148 583157440 /nfs/dbraw/zinc/15/74/40/583157440.db2.gz KBDOKRKTMOZMKL-FZVNPBSJSA-N 0 3 221.322 0.295 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H](C)C[S@](C)=O ZINC000893524149 583157447 /nfs/dbraw/zinc/15/74/47/583157447.db2.gz KBDOKRKTMOZMKL-GIHMMQTOSA-N 0 3 221.322 0.295 20 0 BCADHN C[C@@H]1SCC[C@H]1NC(=S)NCCN(C)C ZINC000843291076 583170248 /nfs/dbraw/zinc/17/02/48/583170248.db2.gz URZYUEBNNVHCBT-DTWKUNHWSA-N 0 3 247.433 0.906 20 0 BCADHN COCC[C@@H](N)C(=O)NCC[C@@H]1CCCCO1 ZINC000224057608 583182442 /nfs/dbraw/zinc/18/24/42/583182442.db2.gz CWKMPARSENRNJG-WDEREUQCSA-N 0 3 244.335 0.426 20 0 BCADHN C[C@@H](N)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000168210633 583185317 /nfs/dbraw/zinc/18/53/17/583185317.db2.gz AJZUZRDNJNELCN-SNVBAGLBSA-N 0 3 236.319 0.469 20 0 BCADHN CCN(CCO)CCNCc1ccc(OC)o1 ZINC000893647678 583186259 /nfs/dbraw/zinc/18/62/59/583186259.db2.gz WZRMXFWIBSPZBX-UHFFFAOYSA-N 0 3 242.319 0.692 20 0 BCADHN OCCN(CCC1OCCO1)C1CC1 ZINC000123794693 583193151 /nfs/dbraw/zinc/19/31/51/583193151.db2.gz NLHWVHJQZXZIBI-UHFFFAOYSA-N 0 3 201.266 0.206 20 0 BCADHN CC(C)OC[C@@H](C)NCCS(=O)(=O)C1CC1 ZINC000840965461 583203115 /nfs/dbraw/zinc/20/31/15/583203115.db2.gz DHPGDPUVOZSFPL-SNVBAGLBSA-N 0 3 249.376 0.967 20 0 BCADHN CCN1CC[C@H](N2C[C@@H](C)[C@@](C)(CO)C2)C1=O ZINC000662141602 583209631 /nfs/dbraw/zinc/20/96/31/583209631.db2.gz IHOCUJQAJVDKMN-NTZNESFSSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@@H]1CN(Cc2cc[nH]c(=O)c2)CC[C@@H]1O ZINC000893712722 583210425 /nfs/dbraw/zinc/21/04/25/583210425.db2.gz UNPGKWUJYGIFSX-KOLCDFICSA-N 0 3 222.288 0.990 20 0 BCADHN CCOC[C@H](C)N[C@@H](C)COC(C)=O ZINC000893712739 583210441 /nfs/dbraw/zinc/21/04/41/583210441.db2.gz YMUOOTGHCFFAKR-IUCAKERBSA-N 0 3 203.282 0.953 20 0 BCADHN CCOC[C@H](C)N[C@H](C)COC(C)=O ZINC000893712735 583210492 /nfs/dbraw/zinc/21/04/92/583210492.db2.gz YMUOOTGHCFFAKR-DTWKUNHWSA-N 0 3 203.282 0.953 20 0 BCADHN Cc1n[nH]c(CN2CCC[C@H](C(N)=O)C2)c1C ZINC000893864645 583234966 /nfs/dbraw/zinc/23/49/66/583234966.db2.gz XXGAVKNMUYKYAF-JTQLQIEISA-N 0 3 236.319 0.724 20 0 BCADHN Cc1[nH]nc(CN2CCC[C@H](C(N)=O)C2)c1C ZINC000893864645 583234968 /nfs/dbraw/zinc/23/49/68/583234968.db2.gz XXGAVKNMUYKYAF-JTQLQIEISA-N 0 3 236.319 0.724 20 0 BCADHN CC[C@@H](CO)N[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893876922 583239562 /nfs/dbraw/zinc/23/95/62/583239562.db2.gz ZONJHBWAERKTRY-GARJFASQSA-N 0 3 247.310 0.981 20 0 BCADHN O=c1cc(CN2C[C@H]3C[C@@]3(CO)C2)cc[nH]1 ZINC000893889015 583244177 /nfs/dbraw/zinc/24/41/77/583244177.db2.gz RUEDZRCMUDPCPB-PWSUYJOCSA-N 0 3 220.272 0.601 20 0 BCADHN COC[C@H](CO)Nc1cc(N)ncc1Cl ZINC000893918549 583247258 /nfs/dbraw/zinc/24/72/58/583247258.db2.gz PBQZYZDHLMAWTE-LURJTMIESA-N 0 3 231.683 0.736 20 0 BCADHN Cc1nsc(N2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000893933878 583252045 /nfs/dbraw/zinc/25/20/45/583252045.db2.gz DPHFZJMZWHYOKJ-BDAKNGLRSA-N 0 3 224.333 0.987 20 0 BCADHN COCc1nccc(N2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000893934976 583252754 /nfs/dbraw/zinc/25/27/54/583252754.db2.gz MEOITCWSFZFWOB-WDEREUQCSA-N 0 3 248.330 0.763 20 0 BCADHN COc1nc(C)cc(N2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000893938483 583253512 /nfs/dbraw/zinc/25/35/12/583253512.db2.gz CXURCCYRHSERIE-MNOVXSKESA-N 0 3 248.330 0.934 20 0 BCADHN CN1C[C@H]2CCN(c3nccnc3F)[C@@H]2C1 ZINC000893937030 583253874 /nfs/dbraw/zinc/25/38/74/583253874.db2.gz YQDSAOCELBDCPJ-RKDXNWHRSA-N 0 3 222.267 0.756 20 0 BCADHN CN1C[C@@H]2CCN(c3ncnc4n[nH]cc43)[C@@H]2C1 ZINC000893938198 583254035 /nfs/dbraw/zinc/25/40/35/583254035.db2.gz CCCRFOZEZFHMSH-WCBMZHEXSA-N 0 3 244.302 0.493 20 0 BCADHN CN1C[C@H]2CCN(c3cnc(F)cn3)[C@H]2C1 ZINC000893936959 583254102 /nfs/dbraw/zinc/25/41/02/583254102.db2.gz XSTJFXWWCASVNU-BDAKNGLRSA-N 0 3 222.267 0.756 20 0 BCADHN COc1cc(C)nc(N2CC[C@H]3CN(C)C[C@@H]32)n1 ZINC000893940812 583254570 /nfs/dbraw/zinc/25/45/70/583254570.db2.gz QOIQURMJFZJJJH-QWRGUYRKSA-N 0 3 248.330 0.934 20 0 BCADHN OCc1cnccc1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000893949086 583258863 /nfs/dbraw/zinc/25/88/63/583258863.db2.gz JNDGDFVCMSPCAD-URLYPYJESA-N 0 3 220.272 0.248 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1Cc1c2c(nn1C)CCC2 ZINC000893949778 583260768 /nfs/dbraw/zinc/26/07/68/583260768.db2.gz XNMWDLFCVVLXKD-NXEZZACHSA-N 0 3 235.331 0.864 20 0 BCADHN OCc1cnccc1N1CC[C@](O)(C(F)F)C1 ZINC000894048328 583287595 /nfs/dbraw/zinc/28/75/95/583287595.db2.gz HTUXDNMLZTWGRP-LLVKDONJSA-N 0 3 244.241 0.780 20 0 BCADHN C[C@@H](CCCCO)Nc1ccncc1CO ZINC000894036990 583289386 /nfs/dbraw/zinc/28/93/86/583289386.db2.gz CXAZEYZISNMMPP-JTQLQIEISA-N 0 3 224.304 0.959 20 0 BCADHN CCCSC[C@H](C)N[C@H](C)C(N)=O ZINC000894066307 583293699 /nfs/dbraw/zinc/29/36/99/583293699.db2.gz JOLJFDHXRZTEBT-JGVFFNPUSA-N 0 3 204.339 0.982 20 0 BCADHN OCc1cnccc1NC[C@H]1CCCC[C@@H]1O ZINC000894092854 583299879 /nfs/dbraw/zinc/29/98/79/583299879.db2.gz YYIIDAQNNNIMHJ-MFKMUULPSA-N 0 3 236.315 0.959 20 0 BCADHN COC[C@@H](OC)C(=O)NCCN1CCC[C@H]1C ZINC000857180793 588891643 /nfs/dbraw/zinc/89/16/43/588891643.db2.gz GPMIXPHHGUVRHR-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)c1ccnn1C ZINC000877264789 583306213 /nfs/dbraw/zinc/30/62/13/583306213.db2.gz YTMFDRFYBGVHGS-YWVKMMECSA-N 0 3 238.335 0.971 20 0 BCADHN O=c1ccc(CN2C[C@H]3C[C@@]3(CO)C2)c[nH]1 ZINC000877461835 583313961 /nfs/dbraw/zinc/31/39/61/583313961.db2.gz KNKMWLRYNDNRPE-PWSUYJOCSA-N 0 3 220.272 0.601 20 0 BCADHN COCCNC[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894146504 583318350 /nfs/dbraw/zinc/31/83/50/583318350.db2.gz SPOMGXKSQMABFI-NKWVEPMBSA-N 0 3 223.219 0.277 20 0 BCADHN O=C(NCCNCc1c[nH]cn1)c1ccco1 ZINC000894163236 583321582 /nfs/dbraw/zinc/32/15/82/583321582.db2.gz NUAVJVZIFVKWKW-UHFFFAOYSA-N 0 3 234.259 0.522 20 0 BCADHN O=C(NCCNCc1cnc[nH]1)c1ccco1 ZINC000894163236 583321585 /nfs/dbraw/zinc/32/15/85/583321585.db2.gz NUAVJVZIFVKWKW-UHFFFAOYSA-N 0 3 234.259 0.522 20 0 BCADHN Nc1cc(N2C[C@@H](O)[C@H](CO)C2)c(Cl)cn1 ZINC000894162675 583321994 /nfs/dbraw/zinc/32/19/94/583321994.db2.gz ZXAFSPQXSWCFGW-IMTBSYHQSA-N 0 3 243.694 0.107 20 0 BCADHN OCc1cnccc1N1CCO[C@H](CF)C1 ZINC000894181198 583330856 /nfs/dbraw/zinc/33/08/56/583330856.db2.gz JSLARAMHCVSDNR-SNVBAGLBSA-N 0 3 226.251 0.749 20 0 BCADHN CN1C[C@@H]2CCN(Cc3cncnc3)[C@@H]2C1 ZINC000814173962 583342688 /nfs/dbraw/zinc/34/26/88/583342688.db2.gz UIXHJRRNMIDDGJ-NWDGAFQWSA-N 0 3 218.304 0.613 20 0 BCADHN CN1C[C@H]2CCN(Cc3cncnc3)[C@H]2C1 ZINC000814173961 583342883 /nfs/dbraw/zinc/34/28/83/583342883.db2.gz UIXHJRRNMIDDGJ-NEPJUHHUSA-N 0 3 218.304 0.613 20 0 BCADHN Cn1cc(CN2CC[C@H]3CSC[C@H]3C2)nn1 ZINC000877737938 583344933 /nfs/dbraw/zinc/34/49/33/583344933.db2.gz JADYKPAOLJRWKP-VHSXEESVSA-N 0 3 238.360 1.000 20 0 BCADHN O=C1CCN1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000857237803 588900726 /nfs/dbraw/zinc/90/07/26/588900726.db2.gz UCTIBCPTABSLQE-UTUOFQBUSA-N 0 3 238.331 0.802 20 0 BCADHN CON(C)C(=O)CCN1CCC(CO)CC1 ZINC000788011732 583360955 /nfs/dbraw/zinc/36/09/55/583360955.db2.gz KUUGFNXMIJXLQU-UHFFFAOYSA-N 0 3 230.308 0.101 20 0 BCADHN O[C@@H]1C[C@H](O)CN(C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000878156832 583363028 /nfs/dbraw/zinc/36/30/28/583363028.db2.gz YIJHOYIWZIIUAM-NAWOPXAZSA-N 0 3 241.331 0.372 20 0 BCADHN Nc1ccc(C(=O)N[C@H](C[NH3+])C2CC2)c([O-])c1 ZINC000841848822 583363234 /nfs/dbraw/zinc/36/32/34/583363234.db2.gz FLPQTVAMEVODQJ-SNVBAGLBSA-N 0 3 235.287 0.442 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc(N)cc2O)[C@H](C)CN1 ZINC000841849378 583367062 /nfs/dbraw/zinc/36/70/62/583367062.db2.gz PQTDTPCKBOIINA-RKDXNWHRSA-N 0 3 249.314 0.797 20 0 BCADHN C[C@@H]1[C@H](C)N(C[C@H](O)CC(C)(C)O)CCN1C ZINC000878338626 583370773 /nfs/dbraw/zinc/37/07/73/583370773.db2.gz AEABSTOZXPDEHI-GRYCIOLGSA-N 0 3 244.379 0.533 20 0 BCADHN CC(C)[C@H](O)CCN1CC[C@H](n2cncn2)C1 ZINC000878459038 583374964 /nfs/dbraw/zinc/37/49/64/583374964.db2.gz WUGWSHVEXQUDBD-NWDGAFQWSA-N 0 3 238.335 0.932 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN[C@@H]2CCCOC2)C1(F)F ZINC000894230578 583384607 /nfs/dbraw/zinc/38/46/07/583384607.db2.gz RKTAPVQIZCVFJC-VGMNWLOBSA-N 0 3 249.257 0.809 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN[C@H]2CCCOC2)C1(F)F ZINC000894230579 583384754 /nfs/dbraw/zinc/38/47/54/583384754.db2.gz RKTAPVQIZCVFJC-YIZRAAEISA-N 0 3 249.257 0.809 20 0 BCADHN C[C@H]([C@H](C)NCc1c[nH]cn1)N1CCOCC1 ZINC000894245822 583389464 /nfs/dbraw/zinc/38/94/64/583389464.db2.gz DZGBAWWWVLDJPI-WDEREUQCSA-N 0 3 238.335 0.609 20 0 BCADHN C[C@H]([C@H](C)NCc1cnc[nH]1)N1CCOCC1 ZINC000894245822 583389467 /nfs/dbraw/zinc/38/94/67/583389467.db2.gz DZGBAWWWVLDJPI-WDEREUQCSA-N 0 3 238.335 0.609 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1cccc[n+]1[O-] ZINC000857283662 588902998 /nfs/dbraw/zinc/90/29/98/588902998.db2.gz LFJAIZYYWPREAS-UHFFFAOYSA-N 0 3 237.303 0.390 20 0 BCADHN CN(C)CC(C)(C)NC(=O)c1cc[n+]([O-])cc1 ZINC000857283893 588903040 /nfs/dbraw/zinc/90/30/40/588903040.db2.gz PVXUNAXTSWFAMQ-UHFFFAOYSA-N 0 3 237.303 0.390 20 0 BCADHN Cn1nccc1CCN1CC[C@](O)(C(F)F)C1 ZINC000878670497 583391366 /nfs/dbraw/zinc/39/13/66/583391366.db2.gz XLZUFWSHZIOXEV-LLVKDONJSA-N 0 3 245.273 0.665 20 0 BCADHN CN(CCCO)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894254712 583393920 /nfs/dbraw/zinc/39/39/20/583393920.db2.gz KBDCHXBNEGCEHO-QWRGUYRKSA-N 0 3 247.310 0.934 20 0 BCADHN CN(CCCO)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894254713 583394070 /nfs/dbraw/zinc/39/40/70/583394070.db2.gz KBDCHXBNEGCEHO-WDEREUQCSA-N 0 3 247.310 0.934 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H](C)C(=O)NCCF ZINC000894257349 583395188 /nfs/dbraw/zinc/39/51/88/583395188.db2.gz PMEMUAAECSHFEU-YUMQZZPRSA-N 0 3 234.271 0.002 20 0 BCADHN COCC[C@@](C)(O)CNCc1ocnc1C ZINC000894258587 583395958 /nfs/dbraw/zinc/39/59/58/583395958.db2.gz DULKJHXHUJYIDV-LLVKDONJSA-N 0 3 228.292 0.860 20 0 BCADHN CCONC(=O)NCCN1CCC[C@@H]1C ZINC000894276873 583406332 /nfs/dbraw/zinc/40/63/32/583406332.db2.gz WVHXJTQURPFHKB-VIFPVBQESA-N 0 3 215.297 0.721 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CCS1 ZINC000638006286 583415038 /nfs/dbraw/zinc/41/50/38/583415038.db2.gz CCETXDRPEWATJI-KXUCPTDWSA-N 0 3 244.360 0.457 20 0 BCADHN C[C@H]1CN(C(=O)[C@H]2CCCCN2C)CCN1C ZINC000747985528 583416965 /nfs/dbraw/zinc/41/69/65/583416965.db2.gz JQNYWXMTZJTHGT-NWDGAFQWSA-N 0 3 239.363 0.633 20 0 BCADHN CN(C)C1CC(NC(=O)[C@H]2CCC(=O)C2)C1 ZINC000857229465 588897300 /nfs/dbraw/zinc/89/73/00/588897300.db2.gz BAUBMKPXEOULRM-IDKOKCKLSA-N 0 3 224.304 0.564 20 0 BCADHN Cn1cc([C@@H](O)CN[C@H]2COCC2(C)C)cn1 ZINC000894317774 583420934 /nfs/dbraw/zinc/42/09/34/583420934.db2.gz ZKOUEJQHQIUTMR-QWRGUYRKSA-N 0 3 239.319 0.468 20 0 BCADHN O=C1CCN1CN1CC[C@H](N2CCCCC2)C1 ZINC000857232872 588897674 /nfs/dbraw/zinc/89/76/74/588897674.db2.gz OUZFBFYKXDNDBB-LBPRGKRZSA-N 0 3 237.347 0.736 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CNCC[C@@H](C)O)C1(F)F ZINC000894332285 583426129 /nfs/dbraw/zinc/42/61/29/583426129.db2.gz MZVUDLYMMHHFLD-PRJMDXOYSA-N 0 3 237.246 0.401 20 0 BCADHN COC(=O)[C@@H]1[C@H](CNCC[C@@H](C)O)C1(F)F ZINC000894332283 583426238 /nfs/dbraw/zinc/42/62/38/583426238.db2.gz MZVUDLYMMHHFLD-CSMHCCOUSA-N 0 3 237.246 0.401 20 0 BCADHN OC[C@H](CNCc1c[nH]cn1)Cc1ccco1 ZINC000894338417 583427360 /nfs/dbraw/zinc/42/73/60/583427360.db2.gz CGZYWEBMFTWFSA-JTQLQIEISA-N 0 3 235.287 0.944 20 0 BCADHN OC[C@H](CNCc1cnc[nH]1)Cc1ccco1 ZINC000894338417 583427362 /nfs/dbraw/zinc/42/73/62/583427362.db2.gz CGZYWEBMFTWFSA-JTQLQIEISA-N 0 3 235.287 0.944 20 0 BCADHN CC1(C)COC[C@H]1NCc1ccc(C(N)=O)nc1 ZINC000894339130 583427847 /nfs/dbraw/zinc/42/78/47/583427847.db2.gz QKTYKMRBOGHNIA-LLVKDONJSA-N 0 3 249.314 0.695 20 0 BCADHN Cc1cc(N)nc(N[C@H](CO)CCF)n1 ZINC000894401252 583449641 /nfs/dbraw/zinc/44/96/41/583449641.db2.gz AMZIRTCNROBWPJ-ZETCQYMHSA-N 0 3 214.244 0.500 20 0 BCADHN CC[C@@H](C)NC(=S)NCCN(C)CCOC ZINC000726907347 583451790 /nfs/dbraw/zinc/45/17/90/583451790.db2.gz HSKZXKADYUNKTJ-SNVBAGLBSA-N 0 3 247.408 0.827 20 0 BCADHN Cc1nc(CCNCc2ocnc2C)n[nH]1 ZINC000894429823 583456843 /nfs/dbraw/zinc/45/68/43/583456843.db2.gz OHVFBQLQJXDQNW-UHFFFAOYSA-N 0 3 221.264 0.742 20 0 BCADHN Cc1n[nH]c(CCNCc2ocnc2C)n1 ZINC000894429823 583456847 /nfs/dbraw/zinc/45/68/47/583456847.db2.gz OHVFBQLQJXDQNW-UHFFFAOYSA-N 0 3 221.264 0.742 20 0 BCADHN CN(CCC(N)=O)C[C@@H]1C[C@]1(C)Br ZINC000894432759 583458894 /nfs/dbraw/zinc/45/88/94/583458894.db2.gz UJOLHYDLFQTLBR-CBAPKCEASA-N 0 3 249.152 0.967 20 0 BCADHN COCCOC[C@@H](C)N[C@@H](C)c1n[nH]c(C)n1 ZINC000894466654 583467754 /nfs/dbraw/zinc/46/77/54/583467754.db2.gz CRTHEBIXGYWMCN-BDAKNGLRSA-N 0 3 242.323 0.815 20 0 BCADHN COCCOC[C@@H](C)N[C@H](C)c1n[nH]c(C)n1 ZINC000894466657 583467996 /nfs/dbraw/zinc/46/79/96/583467996.db2.gz CRTHEBIXGYWMCN-RKDXNWHRSA-N 0 3 242.323 0.815 20 0 BCADHN CCOC(=O)N1CC[C@@H](NCc2c[nH]cn2)C1 ZINC000894479649 583470098 /nfs/dbraw/zinc/47/00/98/583470098.db2.gz KAYJNWBWRBUDTQ-SECBINFHSA-N 0 3 238.291 0.730 20 0 BCADHN CCOC(=O)N1CC[C@@H](NCc2cnc[nH]2)C1 ZINC000894479649 583470099 /nfs/dbraw/zinc/47/00/99/583470099.db2.gz KAYJNWBWRBUDTQ-SECBINFHSA-N 0 3 238.291 0.730 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2CC(=O)NC1CC1 ZINC000880130847 583470537 /nfs/dbraw/zinc/47/05/37/583470537.db2.gz QEOCFNKHINYNNT-VXGBXAGGSA-N 0 3 237.347 0.434 20 0 BCADHN CN(CC1CN(C)C1)c1nccn2ccnc12 ZINC000894540280 583481213 /nfs/dbraw/zinc/48/12/13/583481213.db2.gz FYFSVCKHMXOODU-UHFFFAOYSA-N 0 3 231.303 0.727 20 0 BCADHN C[C@@H](N[C@@H]1COCC1(C)C)C(=O)NCCF ZINC000894668009 583502876 /nfs/dbraw/zinc/50/28/76/583502876.db2.gz PNPBYCXIJZHLQZ-RKDXNWHRSA-N 0 3 232.299 0.475 20 0 BCADHN C[C@H](N[C@H]1COCC1(C)C)C(=O)NCCF ZINC000894668006 583502910 /nfs/dbraw/zinc/50/29/10/583502910.db2.gz PNPBYCXIJZHLQZ-IUCAKERBSA-N 0 3 232.299 0.475 20 0 BCADHN C[C@H](CCO)NCc1n[nH]c(C2CC2)n1 ZINC000894675862 583505228 /nfs/dbraw/zinc/50/52/28/583505228.db2.gz IIFZKPZZTNLGLW-SSDOTTSWSA-N 0 3 210.281 0.543 20 0 BCADHN C[C@H](CCO)[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000894675862 583505229 /nfs/dbraw/zinc/50/52/29/583505229.db2.gz IIFZKPZZTNLGLW-SSDOTTSWSA-N 0 3 210.281 0.543 20 0 BCADHN CC(=O)OC[C@H](C)NCC1=CCOCC1 ZINC000894679672 583505244 /nfs/dbraw/zinc/50/52/44/583505244.db2.gz OJGFGRHEFPEMRG-VIFPVBQESA-N 0 3 213.277 0.874 20 0 BCADHN CC[C@H](N[C@@H](C)COC(C)=O)[C@H](O)C(F)F ZINC000894687089 583507245 /nfs/dbraw/zinc/50/72/45/583507245.db2.gz DGUZOWUIIPJULU-XVYDVKMFSA-N 0 3 239.262 0.932 20 0 BCADHN CC(C)(C)[C@H](O)C[C@@H](CO)NCc1c[nH]cn1 ZINC000894691632 583507926 /nfs/dbraw/zinc/50/79/26/583507926.db2.gz ZQJNGSIRFQSKLY-GXSJLCMTSA-N 0 3 241.335 0.657 20 0 BCADHN CC(C)(C)[C@H](O)C[C@@H](CO)NCc1cnc[nH]1 ZINC000894691632 583507927 /nfs/dbraw/zinc/50/79/27/583507927.db2.gz ZQJNGSIRFQSKLY-GXSJLCMTSA-N 0 3 241.335 0.657 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@H]2CCCNC2=O)[C@H]1OC ZINC000894694221 583509384 /nfs/dbraw/zinc/50/93/84/583509384.db2.gz KWMGWBURRTWZHT-LNFKQOIKSA-N 0 3 242.319 0.047 20 0 BCADHN CCn1ncc(CNc2ccncc2CO)n1 ZINC000894697984 583510406 /nfs/dbraw/zinc/51/04/06/583510406.db2.gz SVMRXTWKHXEOPI-UHFFFAOYSA-N 0 3 233.275 0.219 20 0 BCADHN CCN1C[C@H](N[C@@H](C)COCCOC)CC1=O ZINC000894723476 583514568 /nfs/dbraw/zinc/51/45/68/583514568.db2.gz QVBKGQCGQMXDHH-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN CCO[C@@]1(C)C[C@H]1Nc1ccncc1CO ZINC000894737098 583514993 /nfs/dbraw/zinc/51/49/93/583514993.db2.gz YUDIUPZMUZRVSO-NEPJUHHUSA-N 0 3 222.288 0.975 20 0 BCADHN CNC(=O)C[C@@H](C)N[C@@H](C)COC(C)=O ZINC000894751752 583516154 /nfs/dbraw/zinc/51/61/54/583516154.db2.gz YRWLFFBVPFYROD-SFYZADRCSA-N 0 3 216.281 0.052 20 0 BCADHN CCn1cc(CN[C@@H](C)CC(=O)NC)c(C)n1 ZINC000894751529 583516194 /nfs/dbraw/zinc/51/61/94/583516194.db2.gz VCETUFIHEUQNBK-VIFPVBQESA-N 0 3 238.335 0.826 20 0 BCADHN 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583541549 /nfs/dbraw/zinc/54/15/49/583541549.db2.gz HTQXUFDKLRNAQD-JTQLQIEISA-N 0 3 211.265 0.191 20 0 BCADHN OC[C@H]1C=CCN1CCc1cccnc1 ZINC000880488463 583544704 /nfs/dbraw/zinc/54/47/04/583544704.db2.gz FZGKCGUZBPUYRY-GFCCVEGCSA-N 0 3 204.273 0.857 20 0 BCADHN O=C(CCN1CC=C[C@H]1CO)N1CCCC1 ZINC000880491178 583545090 /nfs/dbraw/zinc/54/50/90/583545090.db2.gz HXSIKVPVLNTVOT-NSHDSACASA-N 0 3 224.304 0.232 20 0 BCADHN CC(C)OCC[C@@H](O)CN1CC=C[C@@H]1CO ZINC000880491622 583545197 /nfs/dbraw/zinc/54/51/97/583545197.db2.gz KWAPMKOLXVKUBV-VXGBXAGGSA-N 0 3 229.320 0.395 20 0 BCADHN CC(C)OCC[C@H](O)CN1CC=C[C@@H]1CO ZINC000880491619 583545247 /nfs/dbraw/zinc/54/52/47/583545247.db2.gz KWAPMKOLXVKUBV-NEPJUHHUSA-N 0 3 229.320 0.395 20 0 BCADHN O=C1CCC(CN2CC=C[C@H]2CO)CC1 ZINC000880492260 583545255 /nfs/dbraw/zinc/54/52/55/583545255.db2.gz PICWIQWLEJGNFS-NSHDSACASA-N 0 3 209.289 0.978 20 0 BCADHN c1nn2c(c1CNC[C@@H]1COCO1)CCC2 ZINC000894883817 583545645 /nfs/dbraw/zinc/54/56/45/583545645.db2.gz AQDFAMADWVBQFW-SNVBAGLBSA-N 0 3 223.276 0.292 20 0 BCADHN O=C(CN[C@@H]1CCC[C@]12CCCO2)N1CCC1 ZINC000880510732 583546151 /nfs/dbraw/zinc/54/61/51/583546151.db2.gz FYUYFEIOEWTDAD-YPMHNXCESA-N 0 3 238.331 0.910 20 0 BCADHN C[C@H](O)CCCN1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880526198 583546360 /nfs/dbraw/zinc/54/63/60/583546360.db2.gz LIVAQGXYSOZEMX-TUAOUCFPSA-N 0 3 240.347 0.748 20 0 BCADHN c1cn2cc(CNC[C@H]3COCO3)sc2n1 ZINC000894886438 583546871 /nfs/dbraw/zinc/54/68/71/583546871.db2.gz CYQKYHZZQHQOTO-QMMMGPOBSA-N 0 3 239.300 0.858 20 0 BCADHN Cn1cc(CNC[C@H]2COCO2)c(C2CC2)n1 ZINC000894888379 583547390 /nfs/dbraw/zinc/54/73/90/583547390.db2.gz LFBUCNPVRPRWIK-NSHDSACASA-N 0 3 237.303 0.760 20 0 BCADHN O=c1cc(CNC[C@H]2COCO2)cc[nH]1 ZINC000894889750 583547812 /nfs/dbraw/zinc/54/78/12/583547812.db2.gz QCALLLDCFSYENL-VIFPVBQESA-N 0 3 210.233 0.250 20 0 BCADHN O=c1cc(CNC[C@@H]2COCO2)cc[nH]1 ZINC000894889744 583548244 /nfs/dbraw/zinc/54/82/44/583548244.db2.gz QCALLLDCFSYENL-SECBINFHSA-N 0 3 210.233 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223.276 0.728 20 0 BCADHN C[C@H]1CCN(CCNC(=O)NOCC2CC2)C1 ZINC000895044188 583571570 /nfs/dbraw/zinc/57/15/70/583571570.db2.gz PRQCKAZCMKORFB-JTQLQIEISA-N 0 3 241.335 0.969 20 0 BCADHN CON(C)C(=O)CN[C@@H]1CC[C@@H]1SC ZINC000895045651 583572025 /nfs/dbraw/zinc/57/20/25/583572025.db2.gz QTZJIIWMIAFGNJ-SFYZADRCSA-N 0 3 218.322 0.490 20 0 BCADHN CCC[C@@H]1CN(c2cc(C(N)=O)ncn2)CCN1 ZINC000895059046 583576075 /nfs/dbraw/zinc/57/60/75/583576075.db2.gz QTPGCUPLMXVGRN-SECBINFHSA-N 0 3 249.318 0.154 20 0 BCADHN COC[C@](C)(O)CN[C@@H]1CCCc2c[nH]nc21 ZINC000857854729 588913466 /nfs/dbraw/zinc/91/34/66/588913466.db2.gz PUVMCVZEFMCMHH-ZYHUDNBSSA-N 0 3 239.319 0.774 20 0 BCADHN OC[C@H]1CN2CCC[C@H]2CN1c1nccs1 ZINC000895083185 583583418 /nfs/dbraw/zinc/58/34/18/583583418.db2.gz UGPSHAAGHNXJDK-VHSXEESVSA-N 0 3 239.344 0.788 20 0 BCADHN CN1CCC[C@H](N[C@H]2CCCc3cn[nH]c32)C1=O ZINC000857857454 588913907 /nfs/dbraw/zinc/91/39/07/588913907.db2.gz UNVYJKSCJZUFOK-QWRGUYRKSA-N 0 3 248.330 0.998 20 0 BCADHN COCC[C@H](CO)N[C@H]1CCCc2c[nH]nc21 ZINC000857865922 588914367 /nfs/dbraw/zinc/91/43/67/588914367.db2.gz QESZLMTWNOCSNX-MNOVXSKESA-N 0 3 239.319 0.774 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H]2COC[C@H]2OC)[C@H]1OC ZINC000895108592 583590120 /nfs/dbraw/zinc/59/01/20/583590120.db2.gz LGARBQZEYKBTOW-LZQZFOIKSA-N 0 3 245.319 0.182 20 0 BCADHN CN1CCC[C@@H](N[C@@H]2CCCc3cn[nH]c32)C1=O ZINC000857857452 588914444 /nfs/dbraw/zinc/91/44/44/588914444.db2.gz UNVYJKSCJZUFOK-GHMZBOCLSA-N 0 3 248.330 0.998 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)COCCOC ZINC000895115703 583591483 /nfs/dbraw/zinc/59/14/83/583591483.db2.gz IVBKSWOYYDJLFK-SNVBAGLBSA-N 0 3 248.323 0.037 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H]1CO[C@H](C)C1 ZINC000895122028 583595982 /nfs/dbraw/zinc/59/59/82/583595982.db2.gz CMTYPOAXUPUMAM-XKSSXDPKSA-N 0 3 201.266 0.705 20 0 BCADHN COCC[C@@H](CO)N[C@@H]1CCCc2c[nH]nc21 ZINC000857865925 588914909 /nfs/dbraw/zinc/91/49/09/588914909.db2.gz QESZLMTWNOCSNX-WDEREUQCSA-N 0 3 239.319 0.774 20 0 BCADHN 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583612320 /nfs/dbraw/zinc/61/23/20/583612320.db2.gz YHXXVYXPMDGCKD-UHFFFAOYSA-N 0 3 249.314 0.810 20 0 BCADHN C[C@@H](NCC[C@@H]1CCOC1)C1N=NC(=O)N1C ZINC000895173553 583613276 /nfs/dbraw/zinc/61/32/76/583613276.db2.gz BAMFTJOHTIYIRL-RKDXNWHRSA-N 0 3 240.307 0.598 20 0 BCADHN C[C@H](NCC[C@H]1CCOC1)C1N=NC(=O)N1C ZINC000895173551 583613325 /nfs/dbraw/zinc/61/33/25/583613325.db2.gz BAMFTJOHTIYIRL-IUCAKERBSA-N 0 3 240.307 0.598 20 0 BCADHN C[C@@H](N[C@@H]1CCO[C@H](C)C1)C1N=NC(=O)N1C ZINC000895175482 583615134 /nfs/dbraw/zinc/61/51/34/583615134.db2.gz JGJHRBJYYHBKBD-IWSPIJDZSA-N 0 3 240.307 0.739 20 0 BCADHN C[C@H](N[C@@H]1CCOC[C@@H]1C)C1N=NC(=O)N1C ZINC000895176153 583615617 /nfs/dbraw/zinc/61/56/17/583615617.db2.gz QELOQSVFWWLWOW-XHNCKOQMSA-N 0 3 240.307 0.596 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1CCCc2cn[nH]c21 ZINC000857869184 588916627 /nfs/dbraw/zinc/91/66/27/588916627.db2.gz LCTBEAVRTZEOHB-OUAUKWLOSA-N 0 3 237.303 0.791 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H]1CCCc2cn[nH]c21 ZINC000857872344 588917222 /nfs/dbraw/zinc/91/72/22/588917222.db2.gz LCTBEAVRTZEOHB-HBNTYKKESA-N 0 3 237.303 0.791 20 0 BCADHN CO[C@@H]1CC[C@H]1N(C)C(=O)NC[C@H](C)N(C)C ZINC000895204643 583624899 /nfs/dbraw/zinc/62/48/99/583624899.db2.gz HDQCTYJCUJOFSP-HBNTYKKESA-N 0 3 243.351 0.755 20 0 BCADHN Cc1nc(C(=O)N[C@@H]2CNCCC2(F)F)no1 ZINC000857768272 588910748 /nfs/dbraw/zinc/91/07/48/588910748.db2.gz ODOKPHBTJOGGGI-ZCFIWIBFSA-N 0 3 246.217 0.105 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1CCCc2cn[nH]c21 ZINC000857872343 588917585 /nfs/dbraw/zinc/91/75/85/588917585.db2.gz LCTBEAVRTZEOHB-GMTAPVOTSA-N 0 3 237.303 0.791 20 0 BCADHN CN(CCO)CCNc1nccc2nc[nH]c21 ZINC000895240144 583630778 /nfs/dbraw/zinc/63/07/78/583630778.db2.gz CUURGNGWMOFJAY-UHFFFAOYSA-N 0 3 235.291 0.294 20 0 BCADHN CO[C@H](CN[C@H]1C(=O)NCC1(C)C)C(C)C ZINC000895323082 583650241 /nfs/dbraw/zinc/65/02/41/583650241.db2.gz YCWFFMXDCCEBHB-ZJUUUORDSA-N 0 3 228.336 0.772 20 0 BCADHN CC(C)OC[C@H](C)N[C@H]1C(=O)NCC1(C)C ZINC000895323844 583650511 /nfs/dbraw/zinc/65/05/11/583650511.db2.gz OLRBIXNMKNRSCS-UWVGGRQHSA-N 0 3 228.336 0.914 20 0 BCADHN C[C@]1(CO)C[C@@H](O)CN1Cc1ccc(=O)[nH]c1 ZINC000895324555 583651022 /nfs/dbraw/zinc/65/10/22/583651022.db2.gz LSRSSNPCEWTGQH-ZYHUDNBSSA-N 0 3 238.287 0.105 20 0 BCADHN C[C@H]1CN(CCN2CCOC2=O)CCCO1 ZINC000727436936 583651766 /nfs/dbraw/zinc/65/17/66/583651766.db2.gz OOSFBHLAWCNJDR-JTQLQIEISA-N 0 3 228.292 0.549 20 0 BCADHN COC(=O)[C@H]1[C@@H](CN[C@H]2C[C@H](O)C2)C1(F)F ZINC000895349134 583656220 /nfs/dbraw/zinc/65/62/20/583656220.db2.gz AQKPGGFBBJPPHQ-WCTZXXKLSA-N 0 3 235.230 0.154 20 0 BCADHN C[C@@H](Cc1cnccn1)NCc1cncnc1 ZINC000727468819 583657489 /nfs/dbraw/zinc/65/74/89/583657489.db2.gz PDDVPOZNTAUXND-JTQLQIEISA-N 0 3 229.287 0.987 20 0 BCADHN CN(Cc1c2c(nn1C)CCC2)CC1CN(C)C1 ZINC000895361670 583658861 /nfs/dbraw/zinc/65/88/61/583658861.db2.gz CPJKNJMNXJEBBR-UHFFFAOYSA-N 0 3 248.374 0.902 20 0 BCADHN Cc1[nH]nc(CN2CCN(C)C[C@@H]2CO)c1C ZINC000895359441 583659485 /nfs/dbraw/zinc/65/94/85/583659485.db2.gz VMORGKPGBPEJHG-LLVKDONJSA-N 0 3 238.335 0.135 20 0 BCADHN COC(=O)[C@H]1CC[C@H](NCc2cn[nH]n2)C1 ZINC000895381210 583662303 /nfs/dbraw/zinc/66/23/03/583662303.db2.gz ZLRNNTXZXFAXBG-YUMQZZPRSA-N 0 3 224.264 0.236 20 0 BCADHN COC(=O)[C@H]1CC[C@H](NCc2c[nH]nn2)C1 ZINC000895381210 583662304 /nfs/dbraw/zinc/66/23/04/583662304.db2.gz ZLRNNTXZXFAXBG-YUMQZZPRSA-N 0 3 224.264 0.236 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](NCc2cn[nH]n2)C1 ZINC000895381207 583662383 /nfs/dbraw/zinc/66/23/83/583662383.db2.gz ZLRNNTXZXFAXBG-HTQZYQBOSA-N 0 3 224.264 0.236 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](NCc2c[nH]nn2)C1 ZINC000895381207 583662384 /nfs/dbraw/zinc/66/23/84/583662384.db2.gz ZLRNNTXZXFAXBG-HTQZYQBOSA-N 0 3 224.264 0.236 20 0 BCADHN CC(=O)OC[C@H](C)NCCc1cncc(C)n1 ZINC000895402825 583666209 /nfs/dbraw/zinc/66/62/09/583666209.db2.gz IFBOSNFLQAIUNT-JTQLQIEISA-N 0 3 237.303 0.869 20 0 BCADHN COC(=O)[C@H]1[C@H](CN[C@H]2C[C@H](OC)C2)C1(F)F ZINC000895414147 583667420 /nfs/dbraw/zinc/66/74/20/583667420.db2.gz KMIHKNHTGNKLNN-XSPKLOCKSA-N 0 3 249.257 0.808 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN[C@H]2C[C@@H](CO)C2)C1(F)F ZINC000895418296 583667446 /nfs/dbraw/zinc/66/74/46/583667446.db2.gz LKDNVAVSJLVDDS-KZVJFYERSA-N 0 3 249.257 0.401 20 0 BCADHN CC(=O)OC[C@@H](C)NC[C@@H]1CC(C)=NO1 ZINC000895428487 583668461 /nfs/dbraw/zinc/66/84/61/583668461.db2.gz HFHYZLXLAGHBMW-SCZZXKLOSA-N 0 3 214.265 0.692 20 0 BCADHN COCCOC[C@@H](C)N[C@@H]1C(=O)NCC1(C)C ZINC000895432698 583671329 /nfs/dbraw/zinc/67/13/29/583671329.db2.gz DOFVJAVWPXQAKS-NXEZZACHSA-N 0 3 244.335 0.152 20 0 BCADHN C[C@@H](O)C1(NCc2cnn(CCF)c2)CC1 ZINC000895443570 583674197 /nfs/dbraw/zinc/67/41/97/583674197.db2.gz XCNNDFZEZJRGPV-SECBINFHSA-N 0 3 227.283 0.856 20 0 BCADHN CC(C)NC(=O)C1CN(C2CCOCC2)C1 ZINC000895423645 583674355 /nfs/dbraw/zinc/67/43/55/583674355.db2.gz AFYKUUOIOWMCTF-UHFFFAOYSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H](NCc1cnc[nH]1)[C@H](O)C(F)(F)F ZINC000895444558 583674783 /nfs/dbraw/zinc/67/47/83/583674783.db2.gz NJKQAINRLNSLPU-VDTYLAMSSA-N 0 3 223.198 0.811 20 0 BCADHN COC(=O)[C@H]1[C@H](CN[C@H]2CCC[C@@H]2O)C1(F)F ZINC000895449826 583675820 /nfs/dbraw/zinc/67/58/20/583675820.db2.gz OQRRWLJZJLWWLU-XSPKLOCKSA-N 0 3 249.257 0.544 20 0 BCADHN CC1(C)COC[C@H]1NC1CN(c2ccncn2)C1 ZINC000895450268 583675973 /nfs/dbraw/zinc/67/59/73/583675973.db2.gz VTAONCQUDBNWEN-LLVKDONJSA-N 0 3 248.330 0.680 20 0 BCADHN CCCNC(=O)C1CN(C2CCOCC2)C1 ZINC000895450412 583676043 /nfs/dbraw/zinc/67/60/43/583676043.db2.gz YDGMWHOOBNKPNN-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN COCCOC[C@H](C)N[C@@H]1C[C@]1(C)OC ZINC000895459238 583677585 /nfs/dbraw/zinc/67/75/85/583677585.db2.gz OFBNNYMNNAUTCE-AXFHLTTASA-N 0 3 217.309 0.805 20 0 BCADHN Cc1ccnc(N)c1CNC[C@H]1C[C@H](O)C1 ZINC000895471917 583680347 /nfs/dbraw/zinc/68/03/47/583680347.db2.gz BPIDBXPIKGXHEI-MGCOHNPYSA-N 0 3 221.304 0.833 20 0 BCADHN CC(=O)OC[C@H](C)NCCOCCF ZINC000895480702 583680494 /nfs/dbraw/zinc/68/04/94/583680494.db2.gz HIJXCAVKTQZFOC-QMMMGPOBSA-N 0 3 207.245 0.514 20 0 BCADHN Cc1cc(N)nc(NCC[C@H]2CC(=O)N(C)C2)n1 ZINC000895478441 583680431 /nfs/dbraw/zinc/68/04/31/583680431.db2.gz PLCUTUPFACVFOH-VIFPVBQESA-N 0 3 249.318 0.648 20 0 BCADHN C[C@H]1CC2(CC(NCc3cn[nH]n3)C2)CO1 ZINC000895530001 583685218 /nfs/dbraw/zinc/68/52/18/583685218.db2.gz DFDIEKFJLUITIX-SILCLGDVSA-N 0 3 222.292 0.852 20 0 BCADHN COCCOC[C@@H](C)N[C@@H](C)C(=O)N(C)OC ZINC000895666631 583705706 /nfs/dbraw/zinc/70/57/06/583705706.db2.gz VEEOSFLVUSVBOY-ZJUUUORDSA-N 0 3 248.323 0.036 20 0 BCADHN CON(C)C(=O)[C@@H](C)NC1CCC(C)(O)CC1 ZINC000895668165 583705877 /nfs/dbraw/zinc/70/58/77/583705877.db2.gz YFTINLJJVICVFH-GRZMOONWSA-N 0 3 244.335 0.678 20 0 BCADHN COC(=O)[C@@]1(O)CCN(Cc2ccn(C)c2)C1 ZINC000895702367 583709755 /nfs/dbraw/zinc/70/97/55/583709755.db2.gz AFHHXHMPFFHUAW-GFCCVEGCSA-N 0 3 238.287 0.135 20 0 BCADHN COC(=O)[C@]1(O)CCN(C[C@@H]2CCC=CO2)C1 ZINC000895704534 583710204 /nfs/dbraw/zinc/71/02/04/583710204.db2.gz XEKKTTBHVBSMCC-JQWIXIFHSA-N 0 3 241.287 0.289 20 0 BCADHN COC(=O)[C@]1(O)CCN(CC2(C)CC2)C1 ZINC000895704263 583710251 /nfs/dbraw/zinc/71/02/51/583710251.db2.gz SVNHZSHUDHEHMO-NSHDSACASA-N 0 3 213.277 0.396 20 0 BCADHN C[C@@H]1[C@H](Nc2nccn3nnnc23)CCN1C ZINC000895739732 583714072 /nfs/dbraw/zinc/71/40/72/583714072.db2.gz IEVLTXOKYBGCAJ-HTQZYQBOSA-N 0 3 233.279 0.024 20 0 BCADHN Cc1nc(N[C@H]2CCN(C)[C@@H]2C)cc2nncn21 ZINC000895739753 583714164 /nfs/dbraw/zinc/71/41/64/583714164.db2.gz IYOSCZPAYFBHAH-SCZZXKLOSA-N 0 3 246.318 0.937 20 0 BCADHN CO[C@H](C)CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000895745637 583716252 /nfs/dbraw/zinc/71/62/52/583716252.db2.gz FXOPLXQLBMNQDR-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN C[C@@H]1[C@@H](Nc2cncc3ncnn32)CCN1C ZINC000895735948 583718149 /nfs/dbraw/zinc/71/81/49/583718149.db2.gz IXHKLCBZBSNERZ-BDAKNGLRSA-N 0 3 232.291 0.629 20 0 BCADHN Cc1ncc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)n1C ZINC000895780178 583729236 /nfs/dbraw/zinc/72/92/36/583729236.db2.gz DTABDWIHRQEBPD-UHTWSYAYSA-N 0 3 235.331 0.931 20 0 BCADHN Cc1nocc1C(=O)NCCNc1ccncc1 ZINC000895798424 583730754 /nfs/dbraw/zinc/73/07/54/583730754.db2.gz FHSDGYOYFMBXLC-UHFFFAOYSA-N 0 3 246.270 0.642 20 0 BCADHN CNC(=S)NC[C@@H]1CCCN1CCOC ZINC000727703150 583741655 /nfs/dbraw/zinc/74/16/55/583741655.db2.gz LZGQHKOPRCYNNO-VIFPVBQESA-N 0 3 231.365 0.191 20 0 BCADHN CC1(C)[C@@H](NCC2CC2)CS1(=O)=O ZINC000895977500 583757300 /nfs/dbraw/zinc/75/73/00/583757300.db2.gz GKBHHAFCQBJALV-QMMMGPOBSA-N 0 3 203.307 0.562 20 0 BCADHN C[C@@H]1CC[C@H]1N[C@H]1CS(=O)(=O)C1(C)C ZINC000895982699 583757989 /nfs/dbraw/zinc/75/79/89/583757989.db2.gz RAMAHXGFTXGMIJ-HLTSFMKQSA-N 0 3 217.334 0.950 20 0 BCADHN CN(CC(=O)N[C@@H]1CCn2cncc21)C1CCC1 ZINC000857977233 588926992 /nfs/dbraw/zinc/92/69/92/588926992.db2.gz SYQKYVNXSKUXIT-LLVKDONJSA-N 0 3 248.330 0.928 20 0 BCADHN C[C@H]1C[C@@H](N[C@H]2CS(=O)(=O)C2(C)C)CCO1 ZINC000895982430 583758435 /nfs/dbraw/zinc/75/84/35/583758435.db2.gz OULUQFGGFNFEMK-GUBZILKMSA-N 0 3 247.360 0.719 20 0 BCADHN CC1(CN[C@H]2CS(=O)(=O)C2(C)C)CC1 ZINC000895983175 583758458 /nfs/dbraw/zinc/75/84/58/583758458.db2.gz WUMMLYDBEMPEDL-QMMMGPOBSA-N 0 3 217.334 0.952 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)c1cccc[n+]1[O-] ZINC000727759077 583765436 /nfs/dbraw/zinc/76/54/36/583765436.db2.gz PQXBSPCBYYNWEP-NSHDSACASA-N 0 3 249.314 0.486 20 0 BCADHN CN1CC[C@H](NC(=S)NC2CCOCC2)C1 ZINC000727783034 583769951 /nfs/dbraw/zinc/76/99/51/583769951.db2.gz QUHHGUVKERXKRA-JTQLQIEISA-N 0 3 243.376 0.334 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N2CCC[C@@H]2CN(C)C)C1 ZINC000896112206 583771596 /nfs/dbraw/zinc/77/15/96/583771596.db2.gz URPGAJXQYNQWFW-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN CCO[C@H](CNc1ccc(F)nn1)CN(C)C ZINC000896114363 583772318 /nfs/dbraw/zinc/77/23/18/583772318.db2.gz ZLELUABZXQJDQF-SECBINFHSA-N 0 3 242.298 0.994 20 0 BCADHN CCO[C@H](CNc1cnccn1)CN(C)C ZINC000896108522 583772785 /nfs/dbraw/zinc/77/27/85/583772785.db2.gz GHGLGIDUUVTCCM-SNVBAGLBSA-N 0 3 224.308 0.855 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N(C)CCN2CCCC2)C1 ZINC000896154513 583776249 /nfs/dbraw/zinc/77/62/49/583776249.db2.gz COOJJXMYHGKTAD-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H]1CO[C@@H](C(=O)N(C)CCN2CCCC2)C1 ZINC000896154514 583776320 /nfs/dbraw/zinc/77/63/20/583776320.db2.gz COOJJXMYHGKTAD-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CCN1CC[C@H]1CN[C@H](C)c1ccc(=O)[nH]n1 ZINC000883355049 583778017 /nfs/dbraw/zinc/77/80/17/583778017.db2.gz HSQPPRXLCPEOGY-ZJUUUORDSA-N 0 3 236.319 0.927 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C)CCN1C ZINC000896667630 583821914 /nfs/dbraw/zinc/82/19/14/583821914.db2.gz JOVSNKZHUWBVRA-SRVKXCTJSA-N 0 3 239.363 0.680 20 0 BCADHN CCN(CCC(N)=O)Cc1ccc(CO)o1 ZINC000896714345 583826098 /nfs/dbraw/zinc/82/60/98/583826098.db2.gz BVXQKRBPSHRREI-UHFFFAOYSA-N 0 3 226.276 0.469 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H]1COC[C@H]1C ZINC000896734306 583828194 /nfs/dbraw/zinc/82/81/94/583828194.db2.gz UXIJYWJNXBBTTO-KHQFGBGNSA-N 0 3 201.266 0.563 20 0 BCADHN COc1ccc(CNCC[C@@H]2CNC(=O)C2)nc1 ZINC000896895586 583848858 /nfs/dbraw/zinc/84/88/58/583848858.db2.gz SCSIKKKKSPHXGT-JTQLQIEISA-N 0 3 249.314 0.706 20 0 BCADHN CC[C@@H](C(=O)NCc1nc(C)c(C)[nH]1)N(C)C ZINC000896917574 583856169 /nfs/dbraw/zinc/85/61/69/583856169.db2.gz ZYBUOHFTUPUKDH-JTQLQIEISA-N 0 3 238.335 0.983 20 0 BCADHN Cc1nc(CNC(=O)CN(C)C(C)C)[nH]c1C ZINC000896924058 583858764 /nfs/dbraw/zinc/85/87/64/583858764.db2.gz UACCMFYPFVYZHG-UHFFFAOYSA-N 0 3 238.335 0.983 20 0 BCADHN CCN(CCC(=O)NC)c1cc(C)nc(N)n1 ZINC000896978684 583865963 /nfs/dbraw/zinc/86/59/63/583865963.db2.gz UMTUAJVKOSAUNI-UHFFFAOYSA-N 0 3 237.307 0.330 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000897175297 583888024 /nfs/dbraw/zinc/88/80/24/583888024.db2.gz QWZXHXLZZRZIHI-WOPDTQHZSA-N 0 3 240.347 0.843 20 0 BCADHN OCCN1CCC[C@@H]2[C@@H]1CCN2c1ncccn1 ZINC000897220885 583897137 /nfs/dbraw/zinc/89/71/37/583897137.db2.gz ZHIQLAHQVXULTF-NWDGAFQWSA-N 0 3 248.330 0.512 20 0 BCADHN Cc1cc(CN[C@H]2C[C@H](C(N)=O)C2)n(C)n1 ZINC000858247071 588940437 /nfs/dbraw/zinc/94/04/37/588940437.db2.gz OSORUHLGHWXJHU-KYZUINATSA-N 0 3 222.292 0.082 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H]2CCCN2C)[C@@H](C)CN1C ZINC000897287935 583910436 /nfs/dbraw/zinc/91/04/36/583910436.db2.gz NOKOBPCFXUYQQI-SRVKXCTJSA-N 0 3 239.363 0.632 20 0 BCADHN C[C@H]1CN(C(=O)[C@H]2CCCN2C)[C@@H](C)CN1C ZINC000897287934 583910721 /nfs/dbraw/zinc/91/07/21/583910721.db2.gz NOKOBPCFXUYQQI-SDDRHHMPSA-N 0 3 239.363 0.632 20 0 BCADHN CC/C=C(\F)C(=O)NC[C@@](C)(O)CN(C)C ZINC000866921070 583911025 /nfs/dbraw/zinc/91/10/25/583911025.db2.gz KCUJKCVTNNHTRO-DHHDDZJSSA-N 0 3 232.299 0.679 20 0 BCADHN CCSCCNC[C@@H](O)c1ccnn1C ZINC000897301899 583912291 /nfs/dbraw/zinc/91/22/91/583912291.db2.gz AFJPZCLNBYHYQP-SNVBAGLBSA-N 0 3 229.349 0.796 20 0 BCADHN COCCOC[C@H](C)NCc1cncc(O)c1 ZINC000897304899 583913124 /nfs/dbraw/zinc/91/31/24/583913124.db2.gz KWBHTNBDVDKKGZ-JTQLQIEISA-N 0 3 240.303 0.928 20 0 BCADHN COCCOC[C@H](C)[NH2+]Cc1cncc([O-])c1 ZINC000897304899 583913125 /nfs/dbraw/zinc/91/31/25/583913125.db2.gz KWBHTNBDVDKKGZ-JTQLQIEISA-N 0 3 240.303 0.928 20 0 BCADHN C[C@H]1CO[C@H](C(=O)NCCOCCN(C)C)C1 ZINC000897312148 583915259 /nfs/dbraw/zinc/91/52/59/583915259.db2.gz YDBLTPHAWQVLIU-MNOVXSKESA-N 0 3 244.335 0.106 20 0 BCADHN C[C@H]1CO[C@@H](C(=O)NCCOCCN(C)C)C1 ZINC000897312147 583915279 /nfs/dbraw/zinc/91/52/79/583915279.db2.gz YDBLTPHAWQVLIU-GHMZBOCLSA-N 0 3 244.335 0.106 20 0 BCADHN Cn1c(CN[C@@H]2CCOC[C@H]2O)cnc1Cl ZINC000858300168 588943235 /nfs/dbraw/zinc/94/32/35/588943235.db2.gz FWFPFAHMZLJGAS-RKDXNWHRSA-N 0 3 245.710 0.313 20 0 BCADHN CN1CCN(C(=O)C(C)(C)N)Cc2cccnc21 ZINC000871021301 583934167 /nfs/dbraw/zinc/93/41/67/583934167.db2.gz PWTMNQVQPGBFCT-UHFFFAOYSA-N 0 3 248.330 0.597 20 0 BCADHN CON(C)C(=O)[C@H](C)NCC1=CCCOC1 ZINC000858320226 588943428 /nfs/dbraw/zinc/94/34/28/588943428.db2.gz QSBRAQBIPPPMDI-VIFPVBQESA-N 0 3 228.292 0.331 20 0 BCADHN Nc1nc(N)nc(N2CCCCCCC2)n1 ZINC000858311197 588943782 /nfs/dbraw/zinc/94/37/82/588943782.db2.gz GMXGSLYNFDVHOD-UHFFFAOYSA-N 0 3 222.296 0.807 20 0 BCADHN O=C1CCCN1CCCNc1ccnc(CO)c1 ZINC000858308506 588943951 /nfs/dbraw/zinc/94/39/51/588943951.db2.gz FWZPDHQWEUBLNA-UHFFFAOYSA-N 0 3 249.314 0.998 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CCO[C@H](C)C1 ZINC000858319157 588944961 /nfs/dbraw/zinc/94/49/61/588944961.db2.gz CQCYDIHOWQPQFZ-KXUCPTDWSA-N 0 3 230.308 0.552 20 0 BCADHN COC[C@H](C)N[C@@H](C)C(=O)N(C)OC ZINC000858319133 588945195 /nfs/dbraw/zinc/94/51/95/588945195.db2.gz BRTNTRSZAHFABX-YUMQZZPRSA-N 0 3 204.270 0.019 20 0 BCADHN CO[C@@H]1CCN(CCN2CCOC2=O)[C@H](C)C1 ZINC000799344511 583959261 /nfs/dbraw/zinc/95/92/61/583959261.db2.gz XYMYQGJAKOJKBD-GHMZBOCLSA-N 0 3 242.319 0.938 20 0 BCADHN CCN(CCO)CCNC(=O)C1(C2CC2)CC1 ZINC000897416379 583961457 /nfs/dbraw/zinc/96/14/57/583961457.db2.gz YLEUOEAYGLYUSO-UHFFFAOYSA-N 0 3 240.347 0.607 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CO[C@H](C)C1 ZINC000858323145 588945723 /nfs/dbraw/zinc/94/57/23/588945723.db2.gz DPRZCXOCGUHHFA-IWSPIJDZSA-N 0 3 216.281 0.162 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H](C)COC(C)C ZINC000858323593 588945750 /nfs/dbraw/zinc/94/57/50/588945750.db2.gz YGMGFYBMGYIILQ-VHSXEESVSA-N 0 3 232.324 0.798 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000858322835 588945805 /nfs/dbraw/zinc/94/58/05/588945805.db2.gz LCFFHOQJLFJQFW-YTWAJWBKSA-N 0 3 244.335 0.940 20 0 BCADHN CCON(CC)C(=O)CN[C@@H]1CCO[C@@H]1C ZINC000858220127 588939289 /nfs/dbraw/zinc/93/92/89/588939289.db2.gz MGBOCLKQFONJQC-NXEZZACHSA-N 0 3 230.308 0.553 20 0 BCADHN CCON(CC)C(=O)CN[C@H]1CCO[C@H]1C ZINC000858220128 588939423 /nfs/dbraw/zinc/93/94/23/588939423.db2.gz MGBOCLKQFONJQC-UWVGGRQHSA-N 0 3 230.308 0.553 20 0 BCADHN CCON(CC)C(=O)CNCc1[nH]ncc1C ZINC000858220409 588939510 /nfs/dbraw/zinc/93/95/10/588939510.db2.gz XZFWUBLJPMPXKM-UHFFFAOYSA-N 0 3 240.307 0.608 20 0 BCADHN CN(C)CC[C@@](C)(O)CNC(=O)C1CSC1 ZINC000897439638 583984299 /nfs/dbraw/zinc/98/42/99/583984299.db2.gz BUVHQVIQTNTPJW-LLVKDONJSA-N 0 3 246.376 0.168 20 0 BCADHN C[C@H]1CCN(CCNC(=O)NCCF)C1 ZINC000897454124 583987802 /nfs/dbraw/zinc/98/78/02/583987802.db2.gz BDRUWWOVJKYZMD-VIFPVBQESA-N 0 3 217.288 0.597 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)NC(CF)CF)C1 ZINC000897460715 583988584 /nfs/dbraw/zinc/98/85/84/583988584.db2.gz VDNLFBBYVMAJHH-SECBINFHSA-N 0 3 249.305 0.935 20 0 BCADHN C[C@H]1CCN(CCNC(=O)NC(CF)CF)C1 ZINC000897460716 583988660 /nfs/dbraw/zinc/98/86/60/583988660.db2.gz VDNLFBBYVMAJHH-VIFPVBQESA-N 0 3 249.305 0.935 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)N(C)CCO ZINC000897490467 583994513 /nfs/dbraw/zinc/99/45/13/583994513.db2.gz GXMSWONDJQYMKN-SNVBAGLBSA-N 0 3 229.324 0.104 20 0 BCADHN C[C@H](O)CN(C)C(=O)NCCN1CCC[C@@H]1C ZINC000897491558 583995772 /nfs/dbraw/zinc/99/57/72/583995772.db2.gz WYHAQFJCAKUOBZ-QWRGUYRKSA-N 0 3 243.351 0.493 20 0 BCADHN COCCN(CCN(C)C)C(=O)C(F)(F)F ZINC000729437923 584014289 /nfs/dbraw/zinc/01/42/89/584014289.db2.gz AYCXSOVXFNZBRX-UHFFFAOYSA-N 0 3 242.241 0.585 20 0 BCADHN CON(C)C(=O)NCCN1CCC[C@H]1C ZINC000897491721 583996272 /nfs/dbraw/zinc/99/62/72/583996272.db2.gz IHGIWDWMOSADFX-SECBINFHSA-N 0 3 215.297 0.674 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)NC/C=C\CO ZINC000897514525 583999729 /nfs/dbraw/zinc/99/97/29/583999729.db2.gz SDNNRCOSCDRJLT-OTDNITJGSA-N 0 3 241.335 0.318 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)N[C@H]1C[C@H](O)C1 ZINC000897515701 583999946 /nfs/dbraw/zinc/99/99/46/583999946.db2.gz ZCBBYZMBPRUIIN-GMTAPVOTSA-N 0 3 241.335 0.293 20 0 BCADHN OCc1cc(NCC2(O)CCOCC2)ccn1 ZINC000858391724 588950884 /nfs/dbraw/zinc/95/08/84/588950884.db2.gz PEGILBYGAOKJCV-UHFFFAOYSA-N 0 3 238.287 0.527 20 0 BCADHN CN(Cc1cc[nH]n1)c1ccnc(CO)c1 ZINC000858407439 588951029 /nfs/dbraw/zinc/95/10/29/588951029.db2.gz JGIZQZAXCNMRPD-UHFFFAOYSA-N 0 3 218.260 0.933 20 0 BCADHN C[C@@H]1CN(Cc2c3c(nn2C)CCC3)C[C@H]1O ZINC000897676574 584035837 /nfs/dbraw/zinc/03/58/37/584035837.db2.gz SCIUSSHGZUDJEP-NOZJJQNGSA-N 0 3 235.331 0.721 20 0 BCADHN Cc1[nH]nc(CN2C[C@H](O)[C@@H](C)C2)c1C ZINC000897676728 584035911 /nfs/dbraw/zinc/03/59/11/584035911.db2.gz WUZTYEZWHBGDRL-CPCISQLKSA-N 0 3 209.293 0.839 20 0 BCADHN C[C@@H]1CN(Cc2cnc3n2CCC3)C[C@@H]1O ZINC000897679409 584037306 /nfs/dbraw/zinc/03/73/06/584037306.db2.gz KDQVMXDUYLHNFB-KOLCDFICSA-N 0 3 221.304 0.642 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN2C[C@@H](C)[C@H](O)C2)C1(F)F ZINC000897681088 584039080 /nfs/dbraw/zinc/03/90/80/584039080.db2.gz OTSJXYJGAWDPAI-XAVMHZPKSA-N 0 3 249.257 0.353 20 0 BCADHN CO[C@]1(C(=O)N[C@@H](C)CN(C)C)CCSC1 ZINC000897760323 584044683 /nfs/dbraw/zinc/04/46/83/584044683.db2.gz NJTLSCIDBDYMMJ-GXSJLCMTSA-N 0 3 246.376 0.575 20 0 BCADHN CN1C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@@H]2C1 ZINC000897826437 584051824 /nfs/dbraw/zinc/05/18/24/584051824.db2.gz XPIXCAWIOGATKP-GRYCIOLGSA-N 0 3 237.347 0.243 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2CC[C@H]3CN(C)C[C@@H]32)C1 ZINC000897825431 584051861 /nfs/dbraw/zinc/05/18/61/584051861.db2.gz IBVDZRJOYSQMAT-BJDJZHNGSA-N 0 3 238.331 0.574 20 0 BCADHN CN1C[C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C1 ZINC000897826441 584052090 /nfs/dbraw/zinc/05/20/90/584052090.db2.gz XPIXCAWIOGATKP-UTUOFQBUSA-N 0 3 237.347 0.243 20 0 BCADHN CO[C@H](CN[C@]1(C)CCNC1=O)CC(C)C ZINC000897868938 584055593 /nfs/dbraw/zinc/05/55/93/584055593.db2.gz NVTJFYLVSSCGEY-CMPLNLGQSA-N 0 3 228.336 0.916 20 0 BCADHN CN1C[C@@H](Nc2ccnc(CO)c2)CC1=O ZINC000858418339 588952866 /nfs/dbraw/zinc/95/28/66/588952866.db2.gz QUMQEBORLTYLEI-VIFPVBQESA-N 0 3 221.260 0.217 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CC[C@H](CCCO)C1 ZINC000897939976 584062972 /nfs/dbraw/zinc/06/29/72/584062972.db2.gz WFEXHGUDDMIZHT-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)NCC2(N(C)C)CC2)C1 ZINC000897989329 584072286 /nfs/dbraw/zinc/07/22/86/584072286.db2.gz JXWOVMQZPIHDFV-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1nc2n(n1)CCN(c1ccnc(CO)c1)C2 ZINC000858433833 588954543 /nfs/dbraw/zinc/95/45/43/588954543.db2.gz MEMBNKKDDGQGQK-UHFFFAOYSA-N 0 3 245.286 0.494 20 0 BCADHN Cc1cncn1CC(=O)NC(C)(C)c1c[nH]nn1 ZINC000898144675 584086541 /nfs/dbraw/zinc/08/65/41/584086541.db2.gz PHYOMFUBWSWLJP-UHFFFAOYSA-N 0 3 248.290 0.361 20 0 BCADHN O[C@@H](CCNCc1cnc2cnccn12)C1CC1 ZINC000898203629 584090619 /nfs/dbraw/zinc/09/06/19/584090619.db2.gz YRXKYMZPJYDYDJ-LBPRGKRZSA-N 0 3 246.314 0.980 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCC[C@@H](O)C1CC1 ZINC000898203923 584091173 /nfs/dbraw/zinc/09/11/73/584091173.db2.gz LDUBKTCKKCGSGX-GXSJLCMTSA-N 0 3 249.376 0.560 20 0 BCADHN C[C@H](CNc1ccnc(CO)c1)S(C)(=O)=O ZINC000858456541 588956362 /nfs/dbraw/zinc/95/63/62/588956362.db2.gz IIARPYZVBKPXGV-MRVPVSSYSA-N 0 3 244.316 0.419 20 0 BCADHN CS(=O)(=O)C1CC(NCC[C@H](O)C2CC2)C1 ZINC000898195252 584096698 /nfs/dbraw/zinc/09/66/98/584096698.db2.gz VFSZPTMERKYHGD-ILDUYXDCSA-N 0 3 247.360 0.313 20 0 BCADHN CS(=O)(=O)C1CC(NCC[C@@H](O)C2CC2)C1 ZINC000898195253 584096864 /nfs/dbraw/zinc/09/68/64/584096864.db2.gz VFSZPTMERKYHGD-VQXHTEKXSA-N 0 3 247.360 0.313 20 0 BCADHN OCc1cc(NC[C@]2(O)CCOC2)ccn1 ZINC000858456176 588956534 /nfs/dbraw/zinc/95/65/34/588956534.db2.gz CUHSJPRWQSCDSG-LLVKDONJSA-N 0 3 224.260 0.137 20 0 BCADHN CCc1ncc(CNC[C@H](O)COC)cn1 ZINC000898295318 584108232 /nfs/dbraw/zinc/10/82/32/584108232.db2.gz YNAYIKDRLLPVGN-JTQLQIEISA-N 0 3 225.292 0.136 20 0 BCADHN OCc1cc(N2CCN3CCOC[C@H]3C2)ccn1 ZINC000858481830 588959228 /nfs/dbraw/zinc/95/92/28/588959228.db2.gz LEPPBFKZYGQRRV-CYBMUJFWSA-N 0 3 249.314 0.095 20 0 BCADHN OCc1cc(NCC(F)(F)CO)ccn1 ZINC000858486430 588959833 /nfs/dbraw/zinc/95/98/33/588959833.db2.gz PXFXXLJQUDLCEC-UHFFFAOYSA-N 0 3 218.203 0.613 20 0 BCADHN CO[C@@]1(CNc2ccnc(CO)c2)CCOC1 ZINC000858484603 588959887 /nfs/dbraw/zinc/95/98/87/588959887.db2.gz VZEDJHFGNDLWIU-GFCCVEGCSA-N 0 3 238.287 0.791 20 0 BCADHN Cn1cncc1CN[C@]12CC(=O)N[C@H]1CCCC2 ZINC000898467546 584139527 /nfs/dbraw/zinc/13/95/27/584139527.db2.gz NYJNDKFBTQTGFV-WCQYABFASA-N 0 3 248.330 0.711 20 0 BCADHN OCC[C@@H]1CCCN1c1ccnc(CO)c1 ZINC000858490790 588960072 /nfs/dbraw/zinc/96/00/72/588960072.db2.gz OLNXUMNQADMNIV-NSHDSACASA-N 0 3 222.288 0.925 20 0 BCADHN CN1CCC[C@H]1C(=O)N1CC(N2CCCC2)C1 ZINC000898598890 584144706 /nfs/dbraw/zinc/14/47/06/584144706.db2.gz FPPMWUQQIXNJRB-LBPRGKRZSA-N 0 3 237.347 0.387 20 0 BCADHN C[C@H](Nc1ccnc(CO)c1)C(=O)N(C)C ZINC000858511910 588961719 /nfs/dbraw/zinc/96/17/19/588961719.db2.gz MGLLVKCTVQEYAR-QMMMGPOBSA-N 0 3 223.276 0.463 20 0 BCADHN C[C@H](CCO)N[C@H]1Cc2ccccc2NC1=O ZINC000858528986 588963154 /nfs/dbraw/zinc/96/31/54/588963154.db2.gz UUTUGIIMXXAPAI-SKDRFNHKSA-N 0 3 234.299 0.910 20 0 BCADHN C[C@H](CCO)N[C@@H]1Cc2ccccc2NC1=O ZINC000858528981 588963225 /nfs/dbraw/zinc/96/32/25/588963225.db2.gz UUTUGIIMXXAPAI-BXKDBHETSA-N 0 3 234.299 0.910 20 0 BCADHN COCC[C@@H](CO)Nc1ccnc(CO)c1 ZINC000858529967 588963286 /nfs/dbraw/zinc/96/32/86/588963286.db2.gz ZTYGXWPLWOLMCV-JTQLQIEISA-N 0 3 226.276 0.383 20 0 BCADHN O=C(CO)N1CCCN(c2ccncc2)CC1 ZINC000899175441 584179613 /nfs/dbraw/zinc/17/96/13/584179613.db2.gz YNDAZJASWWLJGX-UHFFFAOYSA-N 0 3 235.287 0.113 20 0 BCADHN COCCNC(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000899245311 584186285 /nfs/dbraw/zinc/18/62/85/584186285.db2.gz NYFWQIQSAZMGFR-VXGBXAGGSA-N 0 3 249.314 0.557 20 0 BCADHN Cn1nccc1-c1cnc(N2CCNCC2)cn1 ZINC000899320170 584197175 /nfs/dbraw/zinc/19/71/75/584197175.db2.gz SWOIXOQHKFROQP-UHFFFAOYSA-N 0 3 244.302 0.287 20 0 BCADHN CN1CC[C@H](NC(=S)Nc2cnn(C)c2)C1 ZINC000899459823 584216815 /nfs/dbraw/zinc/21/68/15/584216815.db2.gz JHGNXZXKDFAFPK-QMMMGPOBSA-N 0 3 239.348 0.411 20 0 BCADHN CCO[C@H](CNC(=S)NC1CC1)CN(C)C ZINC000899567689 584219717 /nfs/dbraw/zinc/21/97/17/584219717.db2.gz YXVZNKGDAZBGNC-SNVBAGLBSA-N 0 3 245.392 0.580 20 0 BCADHN CCO[C@@H](CNC(=S)NC1CC1)CN(C)C ZINC000899567688 584219763 /nfs/dbraw/zinc/21/97/63/584219763.db2.gz YXVZNKGDAZBGNC-JTQLQIEISA-N 0 3 245.392 0.580 20 0 BCADHN CO[C@H]1CC[C@@H]1N(C)C(=S)NCCN(C)C ZINC000899660260 584222737 /nfs/dbraw/zinc/22/27/37/584222737.db2.gz RGBYXBBNUMIUHL-UWVGGRQHSA-N 0 3 245.392 0.532 20 0 BCADHN CN1CCC(NCc2cn(CCF)nn2)CC1 ZINC000899710391 584227601 /nfs/dbraw/zinc/22/76/01/584227601.db2.gz AGIAUJQGLMGSCK-UHFFFAOYSA-N 0 3 241.314 0.431 20 0 BCADHN CN(CCO)CCNC(=O)c1cccc(F)c1 ZINC000899726557 584229945 /nfs/dbraw/zinc/22/99/45/584229945.db2.gz PUSVIYFQDJYIAR-UHFFFAOYSA-N 0 3 240.278 0.480 20 0 BCADHN Cc1nscc1C(=O)NCCN(C)CCO ZINC000899736438 584231427 /nfs/dbraw/zinc/23/14/27/584231427.db2.gz FIQUTCOHWRTARZ-UHFFFAOYSA-N 0 3 243.332 0.105 20 0 BCADHN CN(CCO)CCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000899735107 584231591 /nfs/dbraw/zinc/23/15/91/584231591.db2.gz XGCZQHUFRXMHSA-URLYPYJESA-N 0 3 226.320 0.073 20 0 BCADHN CC(C)NC(=O)[C@@H](C)Nc1ccnc(CO)c1 ZINC000858569172 588967512 /nfs/dbraw/zinc/96/75/12/588967512.db2.gz AOYHKBHTXQXOJK-SECBINFHSA-N 0 3 237.303 0.899 20 0 BCADHN CN(CCO)CCNC(=O)C[C@H]1C=CCCC1 ZINC000899737830 584232417 /nfs/dbraw/zinc/23/24/17/584232417.db2.gz QROUTPIVBZBIHP-LBPRGKRZSA-N 0 3 240.347 0.773 20 0 BCADHN CC[C@H](C)[C@H](C)C(=O)NCCN(C)CCO ZINC000899737388 584232523 /nfs/dbraw/zinc/23/25/23/584232523.db2.gz HQUMZUXUJKMCLI-QWRGUYRKSA-N 0 3 230.352 0.709 20 0 BCADHN CC(C)[C@]1(C)C[C@H]1C(=O)NCCN(C)CCO ZINC000899737364 584232593 /nfs/dbraw/zinc/23/25/93/584232593.db2.gz HAPKTEVCTBMMCO-AAEUAGOBSA-N 0 3 242.363 0.709 20 0 BCADHN CC[C@H](C)[C@@H](C)C(=O)NCCN(C)CCO ZINC000899737389 584232696 /nfs/dbraw/zinc/23/26/96/584232696.db2.gz HQUMZUXUJKMCLI-WDEREUQCSA-N 0 3 230.352 0.709 20 0 BCADHN CN(CCO)CCNC(=O)[C@H]1CCCSC1 ZINC000899738463 584233000 /nfs/dbraw/zinc/23/30/00/584233000.db2.gz CFAGEZTTWVYWPX-JTQLQIEISA-N 0 3 246.376 0.170 20 0 BCADHN CN(CCO)CCNC(=O)CCCC1CC1 ZINC000899739438 584233507 /nfs/dbraw/zinc/23/35/07/584233507.db2.gz YWIJIKRDXNDVRK-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN COCC(C)(C)CC(=O)NCCN(C)CCO ZINC000899741051 584234063 /nfs/dbraw/zinc/23/40/63/584234063.db2.gz PFPIKODPTWAOIR-UHFFFAOYSA-N 0 3 246.351 0.089 20 0 BCADHN CN(CCO)CCNC(=O)C1CCC=CCC1 ZINC000899741501 584234973 /nfs/dbraw/zinc/23/49/73/584234973.db2.gz CUWRBFPIQYRVOX-UHFFFAOYSA-N 0 3 240.347 0.773 20 0 BCADHN CCC[C@H](CC)C(=O)NCCN(C)CCO ZINC000899741851 584235030 /nfs/dbraw/zinc/23/50/30/584235030.db2.gz LYGFBEICSLJXEF-NSHDSACASA-N 0 3 230.352 0.853 20 0 BCADHN CCOC1CC(N[C@@H](C)C(=O)N(C)OC)C1 ZINC000858578453 588968294 /nfs/dbraw/zinc/96/82/94/588968294.db2.gz ICBIOBNWZBKHIC-IDKOKCKLSA-N 0 3 230.308 0.552 20 0 BCADHN Cc1cccnc1C(=O)NCCN(C)CCO ZINC000899734600 584235450 /nfs/dbraw/zinc/23/54/50/584235450.db2.gz MFBABHGKZJOJPG-UHFFFAOYSA-N 0 3 237.303 0.044 20 0 BCADHN CON(C)C(=O)CNc1ccnc(CO)c1 ZINC000858574935 588967925 /nfs/dbraw/zinc/96/79/25/588967925.db2.gz XAKWMARIBKCPJP-UHFFFAOYSA-N 0 3 225.248 0.006 20 0 BCADHN C[C@H](O)[C@@H]1CN(c2ccnc(CO)c2)CCO1 ZINC000858572935 588968045 /nfs/dbraw/zinc/96/80/45/588968045.db2.gz YFGHVBJKLFMGKW-CABZTGNLSA-N 0 3 238.287 0.160 20 0 BCADHN O[C@@H](CNC[C@H](O)C1(O)CCC1)c1ccco1 ZINC000899871629 584244843 /nfs/dbraw/zinc/24/48/43/584244843.db2.gz TZWYEBQIFUDDBT-ONGXEEELSA-N 0 3 241.287 0.179 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1COC2(CCC2)C1 ZINC000858580584 588968609 /nfs/dbraw/zinc/96/86/09/588968609.db2.gz RVCSFZSJOQAORJ-VHSXEESVSA-N 0 3 242.319 0.696 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H](C)Cn1cccn1 ZINC000858579276 588968666 /nfs/dbraw/zinc/96/86/66/588968666.db2.gz CTLIBUXUUGESRH-ZJUUUORDSA-N 0 3 240.307 0.270 20 0 BCADHN COC[C@@H](N[C@@H](C)C(=O)N(C)OC)C1CC1 ZINC000858579466 588968670 /nfs/dbraw/zinc/96/86/70/588968670.db2.gz PZXVXCXHWQOICS-WCBMZHEXSA-N 0 3 230.308 0.409 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1COC(C)(C)C1 ZINC000858580788 588968698 /nfs/dbraw/zinc/96/86/98/588968698.db2.gz WMUZWLBHIDNVKO-IUCAKERBSA-N 0 3 230.308 0.552 20 0 BCADHN CC[C@@H](C)NC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000899904151 584250944 /nfs/dbraw/zinc/25/09/44/584250944.db2.gz HCYMYWADIUCQBO-PWSUYJOCSA-N 0 3 228.336 0.748 20 0 BCADHN CN(C)CCNC(=O)CNc1ccccn1 ZINC000899921021 584252975 /nfs/dbraw/zinc/25/29/75/584252975.db2.gz YLRLEMDZVAXDGV-UHFFFAOYSA-N 0 3 222.292 0.171 20 0 BCADHN CON(C)C(=O)[C@@H](C)NC1CC(C)C1 ZINC000858588277 588969582 /nfs/dbraw/zinc/96/95/82/588969582.db2.gz XVUJRUMFPLHCGQ-QJAFJHJLSA-N 0 3 200.282 0.783 20 0 BCADHN CCOC[C@@H](C)N[C@H](C)C(=O)N(C)OC ZINC000858587272 588969688 /nfs/dbraw/zinc/96/96/88/588969688.db2.gz PNQVOIVGVLIACR-RKDXNWHRSA-N 0 3 218.297 0.409 20 0 BCADHN CCC/C=C/[C@@H](O)C(=O)NC1CCN(C)CC1 ZINC000900002468 584263237 /nfs/dbraw/zinc/26/32/37/584263237.db2.gz UVVPMZKMOFDSBH-BTDICHCPSA-N 0 3 240.347 0.914 20 0 BCADHN O=C(CNc1ccccn1)NCCN1CCCC1 ZINC000900011059 584265915 /nfs/dbraw/zinc/26/59/15/584265915.db2.gz IKRLWADVKMBKGC-UHFFFAOYSA-N 0 3 248.330 0.706 20 0 BCADHN CN(CC(=O)NCCN1CCCC1)C1CCC1 ZINC000900011569 584266281 /nfs/dbraw/zinc/26/62/81/584266281.db2.gz VGSZDGSWBVEJOA-UHFFFAOYSA-N 0 3 239.363 0.683 20 0 BCADHN C[C@@H](NCCN1CC[C@H](O)C1)c1ncc[nH]1 ZINC000858601967 588970477 /nfs/dbraw/zinc/97/04/77/588970477.db2.gz MIDUCZDPTUBEDB-ZJUUUORDSA-N 0 3 224.308 0.127 20 0 BCADHN CN1CCC[C@](O)(CC(=O)Nc2ccccn2)C1 ZINC000900065146 584270177 /nfs/dbraw/zinc/27/01/77/584270177.db2.gz AQFLHSKBAYWWEH-ZDUSSCGKSA-N 0 3 249.314 0.867 20 0 BCADHN CN1CCC[C@@](O)(CC(=O)NC(C)(C)C)C1 ZINC000900092723 584273092 /nfs/dbraw/zinc/27/30/92/584273092.db2.gz ONJCSKHXEIMILI-GFCCVEGCSA-N 0 3 228.336 0.748 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1c1ccnc(CO)c1 ZINC000858604769 588970774 /nfs/dbraw/zinc/97/07/74/588970774.db2.gz JSVOOJDQXXGKFV-VXGBXAGGSA-N 0 3 238.287 0.160 20 0 BCADHN C/C=C\[C@@H](O)C(=O)NCCCN(C)CCOC ZINC000900192117 584284664 /nfs/dbraw/zinc/28/46/64/584284664.db2.gz KONWSDDZYGNYEC-VLWUPBBWSA-N 0 3 244.335 0.008 20 0 BCADHN C/C=C\[C@H](O)C(=O)NCCN1CCCC[C@H]1C ZINC000900209366 584286622 /nfs/dbraw/zinc/28/66/22/584286622.db2.gz QKDGVOQXYWVCEK-FVLQNALFSA-N 0 3 240.347 0.914 20 0 BCADHN C[C@@H](Cn1ccnc1)NC(=O)c1[nH]ncc1F ZINC000900215279 584286756 /nfs/dbraw/zinc/28/67/56/584286756.db2.gz MEGJLHLMLYSMQX-ZETCQYMHSA-N 0 3 237.238 0.564 20 0 BCADHN OCc1cc(N2CC[C@@H](O)C(F)(F)C2)ccn1 ZINC000858625527 588971688 /nfs/dbraw/zinc/97/16/88/588971688.db2.gz VBHWSSVWXBHZLF-SNVBAGLBSA-N 0 3 244.241 0.780 20 0 BCADHN Cc1cc(NC(=O)C23CCN(CC2)C3)n(C)n1 ZINC000900266294 584290319 /nfs/dbraw/zinc/29/03/19/584290319.db2.gz UUFUEGAIBCRVQW-UHFFFAOYSA-N 0 3 234.303 0.763 20 0 BCADHN Cc1nccn1CCCNC(=O)Cc1cnc[nH]1 ZINC000900301019 584292895 /nfs/dbraw/zinc/29/28/95/584292895.db2.gz IQHCSTPEOOAKMD-UHFFFAOYSA-N 0 3 247.302 0.664 20 0 BCADHN OCc1cc(N2CCC3(COC3)C2)ccn1 ZINC000858634769 588972215 /nfs/dbraw/zinc/97/22/15/588972215.db2.gz YGWKAKAZZHMZIB-UHFFFAOYSA-N 0 3 220.272 0.801 20 0 BCADHN C[C@@H]1CN(c2cc(F)ncn2)C[C@H](C)N1 ZINC000858632406 588972251 /nfs/dbraw/zinc/97/22/51/588972251.db2.gz SHMCWHAOWSUIKJ-OCAPTIKFSA-N 0 3 210.256 0.802 20 0 BCADHN C/C=C\[C@H](O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000900371917 584298225 /nfs/dbraw/zinc/29/82/25/584298225.db2.gz KVNQKYHFBNRFIS-IKSRRIRTSA-N 0 3 224.304 0.276 20 0 BCADHN O=C(Cc1c[nH]cn1)N[C@H]1CCN(C2CC2)C1 ZINC000900371975 584298508 /nfs/dbraw/zinc/29/85/08/584298508.db2.gz MDQWDXYVFVBHNM-VIFPVBQESA-N 0 3 234.303 0.305 20 0 BCADHN CN(C)CCn1nccc1C(=O)Nc1cc[nH]n1 ZINC000900416667 584306604 /nfs/dbraw/zinc/30/66/04/584306604.db2.gz BXKHOKMHDPKURP-UHFFFAOYSA-N 0 3 248.290 0.420 20 0 BCADHN O=C(NCc1cscn1)C12CCN(CC1)C2 ZINC000900442071 584311255 /nfs/dbraw/zinc/31/12/55/584311255.db2.gz UHXGKCPOZDCYHX-UHFFFAOYSA-N 0 3 237.328 0.855 20 0 BCADHN C/C=C\[C@H](O)C(=O)N1CCC[C@@H]1CN(C)C ZINC000900523597 584318265 /nfs/dbraw/zinc/31/82/65/584318265.db2.gz TVRJHHZUJAPPTA-FPNIURKZSA-N 0 3 226.320 0.476 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)CC1COC1 ZINC000900523148 584318656 /nfs/dbraw/zinc/31/86/56/584318656.db2.gz NARWOWAJMIWYAY-NSHDSACASA-N 0 3 226.320 0.576 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)NCCN(CC)C1CC1 ZINC000900552531 584322514 /nfs/dbraw/zinc/32/25/14/584322514.db2.gz HISBWWBAOKAYGX-PWSUYJOCSA-N 0 3 242.363 0.994 20 0 BCADHN C/C=C/[C@H](O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000900531321 584322802 /nfs/dbraw/zinc/32/28/02/584322802.db2.gz YXAGOFPOZUEPKE-MRUFAENASA-N 0 3 226.320 0.476 20 0 BCADHN C/C=C/[C@H](O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000900543597 584324629 /nfs/dbraw/zinc/32/46/29/584324629.db2.gz UYAYSGSKBOEXKA-IPFDCLDFSA-N 0 3 226.320 0.522 20 0 BCADHN C[C@@H](CNC(=O)Cc1c[nH]cn1)N(C)C1CC1 ZINC000900543662 584324670 /nfs/dbraw/zinc/32/46/70/584324670.db2.gz PEYDGKZPPMMLHT-VIFPVBQESA-N 0 3 236.319 0.551 20 0 BCADHN C/C=C/[C@H](O)C(=O)N1CCCC[C@H]1CN(C)C ZINC000900563937 584325729 /nfs/dbraw/zinc/32/57/29/584325729.db2.gz ROCIHYICVWPIPV-XTPCBIOYSA-N 0 3 240.347 0.866 20 0 BCADHN CN(CC1CCN(C)CC1)C(=O)CC1COC1 ZINC000900574648 584327182 /nfs/dbraw/zinc/32/71/82/584327182.db2.gz LURIGFPPICTNAE-UHFFFAOYSA-N 0 3 240.347 0.823 20 0 BCADHN C/C=C/[C@@H](O)C(=O)N(CCN(C)C)CC(C)C ZINC000900587203 584329100 /nfs/dbraw/zinc/32/91/00/584329100.db2.gz VHUCZAAROIAHPK-NNNHXZLVSA-N 0 3 242.363 0.970 20 0 BCADHN CCOCCOCCn1cc([C@@H](C)N)nn1 ZINC000900602048 584330264 /nfs/dbraw/zinc/33/02/64/584330264.db2.gz SJYTXCWEWMJJQZ-SECBINFHSA-N 0 3 228.296 0.351 20 0 BCADHN C/C=C\[C@H](O)C(=O)N(CCC)CCN(C)C ZINC000900585945 584331829 /nfs/dbraw/zinc/33/18/29/584331829.db2.gz DQABCRNWYPKZED-XOIDGJRKSA-N 0 3 228.336 0.724 20 0 BCADHN CCn1cc(Cn2cc([C@@H](N)C(C)C)nn2)nn1 ZINC000900629717 584333754 /nfs/dbraw/zinc/33/37/54/584333754.db2.gz XKXGDGOZVYIEJI-NSHDSACASA-N 0 3 249.322 0.594 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)N1CCCN(CC)CC1 ZINC000900633485 584334296 /nfs/dbraw/zinc/33/42/96/584334296.db2.gz NPQQUZKYGUKTQI-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CN(CCCN1CCN(C)CC1)C(=O)CCF ZINC000900647805 584335449 /nfs/dbraw/zinc/33/54/49/584335449.db2.gz SLYPXIMIPGYVRY-UHFFFAOYSA-N 0 3 245.342 0.442 20 0 BCADHN COC[C@@H](N)Cc1cn(CC2CC(C)C2)nn1 ZINC000900650898 584336386 /nfs/dbraw/zinc/33/63/86/584336386.db2.gz VLSMZAHTNXVYSD-ILDUYXDCSA-N 0 3 238.335 0.840 20 0 BCADHN COC[C@H](N)Cc1cn(CC2CC(C)C2)nn1 ZINC000900650899 584336544 /nfs/dbraw/zinc/33/65/44/584336544.db2.gz VLSMZAHTNXVYSD-VQXHTEKXSA-N 0 3 238.335 0.840 20 0 BCADHN C/C=C/[C@H](O)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000900662481 584338012 /nfs/dbraw/zinc/33/80/12/584338012.db2.gz ONQIFTGKOGYPJW-QSKOYVBTSA-N 0 3 238.331 0.476 20 0 BCADHN Cc1ncc(C(=O)NC[C@@H]2CCCN2C)n1C ZINC000900694466 584338761 /nfs/dbraw/zinc/33/87/61/584338761.db2.gz HQUURAOLOPAIOO-JTQLQIEISA-N 0 3 236.319 0.553 20 0 BCADHN Cc1cc(NC(=O)C23CCN(CC2)C3)ccn1 ZINC000900670786 584339457 /nfs/dbraw/zinc/33/94/57/584339457.db2.gz DSZDENAVCVNOBH-UHFFFAOYSA-N 0 3 231.299 0.846 20 0 BCADHN CCCCN(C)CCNC(=O)CC1COC1 ZINC000900671729 584339779 /nfs/dbraw/zinc/33/97/79/584339779.db2.gz DZHQHFNJPAXBJE-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@H](CNC(=O)CCF)CN1CCN(C)CC1 ZINC000900693419 584342252 /nfs/dbraw/zinc/34/22/52/584342252.db2.gz RTCSLDCAGZCOSQ-LLVKDONJSA-N 0 3 245.342 0.346 20 0 BCADHN C/C=C\[C@H](O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000900725516 584344890 /nfs/dbraw/zinc/34/48/90/584344890.db2.gz KPFJIRPFKKLAAD-XSCYXQHBSA-N 0 3 240.347 0.724 20 0 BCADHN C/C=C/[C@H](O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000900725370 584345123 /nfs/dbraw/zinc/34/51/23/584345123.db2.gz KPFJIRPFKKLAAD-XCOQAZTISA-N 0 3 240.347 0.724 20 0 BCADHN O[C@@H]1CCN(CCNc2ncnc3c2CCC3)C1 ZINC000858811901 588976971 /nfs/dbraw/zinc/97/69/71/588976971.db2.gz HVLIAPLQRLFIIZ-SNVBAGLBSA-N 0 3 248.330 0.444 20 0 BCADHN CN(C(=O)Cc1cnc[nH]1)[C@H]1CCCN(C)C1 ZINC000900830214 584354991 /nfs/dbraw/zinc/35/49/91/584354991.db2.gz NYFSEYRICHYQHT-NSHDSACASA-N 0 3 236.319 0.505 20 0 BCADHN C[C@H](NC(=O)C12CCN(CC1)C2)[C@@H]1CCOC1 ZINC000900844363 584356105 /nfs/dbraw/zinc/35/61/05/584356105.db2.gz YKRAKTWVFHHDOS-WDEREUQCSA-N 0 3 238.331 0.623 20 0 BCADHN C[C@H]1CN(C(=O)C2CCN(C)CC2)CCN1C ZINC000900847760 584356862 /nfs/dbraw/zinc/35/68/62/584356862.db2.gz PVTXQGCNKYQQCN-NSHDSACASA-N 0 3 239.363 0.491 20 0 BCADHN C[C@@H]1CN(C(=O)C2CCN(C)CC2)CCN1C ZINC000900847757 584356927 /nfs/dbraw/zinc/35/69/27/584356927.db2.gz PVTXQGCNKYQQCN-LLVKDONJSA-N 0 3 239.363 0.491 20 0 BCADHN C[C@H]1CCCN1C(=O)C[C@]1(O)CCCN(C)C1 ZINC000900895520 584362517 /nfs/dbraw/zinc/36/25/17/584362517.db2.gz QQISFEDYUPUVJN-WCQYABFASA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H]1CCCN1C(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900895518 584362607 /nfs/dbraw/zinc/36/26/07/584362607.db2.gz QQISFEDYUPUVJN-AAEUAGOBSA-N 0 3 240.347 0.844 20 0 BCADHN C/C=C\[C@H](O)C(=O)NCCN1CC[C@H](C)C1 ZINC000900911622 584364995 /nfs/dbraw/zinc/36/49/95/584364995.db2.gz AHGXZTMWLNTGNB-WZQADMAKSA-N 0 3 226.320 0.381 20 0 BCADHN Cc1ncc(C(=O)N(C)CCN(C)C)n1C ZINC000900925746 584366479 /nfs/dbraw/zinc/36/64/79/584366479.db2.gz CVFAQGBFHSSBDS-UHFFFAOYSA-N 0 3 224.308 0.362 20 0 BCADHN C/C=C\[C@@H](O)C(=O)N1CCNC(C)(C)C1 ZINC000900937318 584367346 /nfs/dbraw/zinc/36/73/46/584367346.db2.gz DITSDZANOSXSOT-XRVBUDJMSA-N 0 3 212.293 0.134 20 0 BCADHN CN(C)[C@]1(CNC(=O)CCF)CCSC1 ZINC000900943846 584368700 /nfs/dbraw/zinc/36/87/00/584368700.db2.gz FWXVOVWWFUBMBF-JTQLQIEISA-N 0 3 234.340 0.900 20 0 BCADHN CON(C)C(=O)[C@H](C)Nc1cc(C)nc(N)n1 ZINC000858833445 588978146 /nfs/dbraw/zinc/97/81/46/588978146.db2.gz KGLHVNOXGJBWOE-ZETCQYMHSA-N 0 3 239.279 0.187 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)CN1C1CC1 ZINC000900995295 584375391 /nfs/dbraw/zinc/37/53/91/584375391.db2.gz KKHXNMVBZMCTGF-MWLCHTKSSA-N 0 3 248.330 0.694 20 0 BCADHN Cc1cc(NC(=O)C23CCN(CC2)C3)nn1C ZINC000901169212 584395044 /nfs/dbraw/zinc/39/50/44/584395044.db2.gz TVTJRFRMYSJYFP-UHFFFAOYSA-N 0 3 234.303 0.763 20 0 BCADHN CC[C@@H](C(=O)N1CCN(C)[C@H](C)[C@H]1C)N(C)C ZINC000901306356 584420093 /nfs/dbraw/zinc/42/00/93/584420093.db2.gz JZCGHJOQKREARC-UTUOFQBUSA-N 0 3 241.379 0.878 20 0 BCADHN O=C(N[C@H](CO)CC1CC1)C12CCN(CC1)C2 ZINC000901293493 584423176 /nfs/dbraw/zinc/42/31/76/584423176.db2.gz HERKPHMQAKCCJJ-NSHDSACASA-N 0 3 238.331 0.359 20 0 BCADHN CN(Cc1ncon1)C(=O)CN(C)C1CCC1 ZINC000901343520 584433957 /nfs/dbraw/zinc/43/39/57/584433957.db2.gz JJMQAMWXKBHXKF-UHFFFAOYSA-N 0 3 238.291 0.512 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)OCCF)C1 ZINC000858940847 588986448 /nfs/dbraw/zinc/98/64/48/588986448.db2.gz LZZJTMPMMDXMQI-QMMMGPOBSA-N 0 3 204.245 0.728 20 0 BCADHN CCCOC(=O)N(CCN(C)C)CCN(C)C ZINC000858941914 588986655 /nfs/dbraw/zinc/98/66/55/588986655.db2.gz MNTJDVJAFMJNJE-UHFFFAOYSA-N 0 3 245.367 0.958 20 0 BCADHN CCOC(CN(C)C[C@@H](C)C(=O)NC)OCC ZINC000124542541 584496826 /nfs/dbraw/zinc/49/68/26/584496826.db2.gz CVTQLHJZVFZTFD-SNVBAGLBSA-N 0 3 246.351 0.699 20 0 BCADHN Cn1ccc(-c2noc(C[C@@H]3CCN(C)C3)n2)n1 ZINC000901980965 584511954 /nfs/dbraw/zinc/51/19/54/584511954.db2.gz YLCOMDRXBJETOX-VIFPVBQESA-N 0 3 247.302 0.964 20 0 BCADHN CCn1cnc(CNCCCC(=O)NC)c1 ZINC000902119780 584528473 /nfs/dbraw/zinc/52/84/73/584528473.db2.gz CDUPWXAVIIKKIS-UHFFFAOYSA-N 0 3 224.308 0.519 20 0 BCADHN CCn1cnc(CNCCCC(=O)N(C)C)c1 ZINC000902122691 584528602 /nfs/dbraw/zinc/52/86/02/584528602.db2.gz QNVHYTYBIYWZOI-UHFFFAOYSA-N 0 3 238.335 0.861 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCN1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902195043 584536393 /nfs/dbraw/zinc/53/63/93/584536393.db2.gz KDGFBXPLYGOQOZ-RHYQMDGZSA-N 0 3 238.331 0.658 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1CN1C[C@@H]2C[C@@H]2C1=O ZINC000902195045 584536625 /nfs/dbraw/zinc/53/66/25/584536625.db2.gz KDGFBXPLYGOQOZ-YFKTTZPYSA-N 0 3 238.331 0.658 20 0 BCADHN COc1cc(CONC(=N)[C@H]2CCCO2)on1 ZINC000902379204 584568721 /nfs/dbraw/zinc/56/87/21/584568721.db2.gz AIQWLWLIKGCXRU-MRVPVSSYSA-N 0 3 241.247 0.861 20 0 BCADHN N=C(NOCc1nncs1)[C@@H]1CCCO1 ZINC000902380019 584569108 /nfs/dbraw/zinc/56/91/08/584569108.db2.gz GDANITFWESXDQD-LURJTMIESA-N 0 3 228.277 0.716 20 0 BCADHN Cc1cc([C@@H](C)NCCCON)nn1C ZINC000902416652 584590690 /nfs/dbraw/zinc/59/06/90/584590690.db2.gz VOICSIGBPRNQOT-SECBINFHSA-N 0 3 212.297 0.660 20 0 BCADHN Cn1cc(CNC[C@@](C)(O)CO)c(C2CC2)n1 ZINC000902537834 584628317 /nfs/dbraw/zinc/62/83/17/584628317.db2.gz DUTFRYSXFDCFEC-GFCCVEGCSA-N 0 3 239.319 0.130 20 0 BCADHN Cc1cc(F)ncc1CNC[C@](C)(O)CO ZINC000902540196 584628358 /nfs/dbraw/zinc/62/83/58/584628358.db2.gz LFUIVKUTVXFOEM-NSHDSACASA-N 0 3 228.267 0.362 20 0 BCADHN CNc1ccccc1CNC[C@@H](O)CO ZINC000902532184 584633415 /nfs/dbraw/zinc/63/34/15/584633415.db2.gz HBTRGWYYXJIGEB-SNVBAGLBSA-N 0 3 210.277 0.171 20 0 BCADHN CCn1cnc(CN[C@@H]2CC[C@H](C(N)=O)C2)c1 ZINC000902585818 584639811 /nfs/dbraw/zinc/63/98/11/584639811.db2.gz HZHWUYRDXKBYAI-VHSXEESVSA-N 0 3 236.319 0.647 20 0 BCADHN CNc1ccccc1CN[C@H](CO)[C@@H](C)O ZINC000902597730 584640439 /nfs/dbraw/zinc/64/04/39/584640439.db2.gz XLNPMTGBRIQZHJ-BXKDBHETSA-N 0 3 224.304 0.560 20 0 BCADHN CCc1noc(C(=O)NC[C@H]2CCN(C)C2)n1 ZINC000902627655 584646275 /nfs/dbraw/zinc/64/62/75/584646275.db2.gz HRZOMXWXZQLHNZ-MRVPVSSYSA-N 0 3 238.291 0.314 20 0 BCADHN CCn1cc(CNC[C@H](O)[C@@H](C)O)c(C)n1 ZINC000902632498 584647465 /nfs/dbraw/zinc/64/74/65/584647465.db2.gz NVTJDOYSKCAPRQ-KOLCDFICSA-N 0 3 227.308 0.043 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cn2ccnc2s1 ZINC000902633917 584647982 /nfs/dbraw/zinc/64/79/82/584647982.db2.gz YBOHGXYVBVMRGW-CBAPKCEASA-N 0 3 241.316 0.227 20 0 BCADHN CCn1cnc(CNC[C@@H]2CCN2C)c1 ZINC000902654308 584650006 /nfs/dbraw/zinc/65/00/06/584650006.db2.gz KYYNGXKHDSAOQO-NSHDSACASA-N 0 3 208.309 0.697 20 0 BCADHN CN1C(=O)CN(CN2CC[C@@H]3CCC[C@@H]32)C1=O ZINC000902652756 584651349 /nfs/dbraw/zinc/65/13/49/584651349.db2.gz WNCCEAVRRSUOAQ-UWVGGRQHSA-N 0 3 237.303 0.712 20 0 BCADHN Nc1cnccc1CNC1CC(CCO)C1 ZINC000902695508 584657102 /nfs/dbraw/zinc/65/71/02/584657102.db2.gz SQGYEUNWGUBLQB-UHFFFAOYSA-N 0 3 221.304 0.914 20 0 BCADHN CN(C)[C@@H](CNC(=O)CCO)c1ccccc1 ZINC000902778131 584669102 /nfs/dbraw/zinc/66/91/02/584669102.db2.gz FDEXFCRSYLYFBF-LBPRGKRZSA-N 0 3 236.315 0.788 20 0 BCADHN O=C(CCO)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000902780345 584669546 /nfs/dbraw/zinc/66/95/46/584669546.db2.gz VXNRATMNCVGZMD-ZDUSSCGKSA-N 0 3 248.326 0.760 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)OC1COC1 ZINC000902780021 584669600 /nfs/dbraw/zinc/66/96/00/584669600.db2.gz NXAWKABTIZYQLD-SECBINFHSA-N 0 3 228.292 0.596 20 0 BCADHN CN(CCO)CCNC(=O)N1CCCCCC1 ZINC000902792526 584673362 /nfs/dbraw/zinc/67/33/62/584673362.db2.gz BIEUMBUGLGHUFC-UHFFFAOYSA-N 0 3 243.351 0.496 20 0 BCADHN O=C(NCCN1CCCCCC1)OC1COC1 ZINC000902798369 584674665 /nfs/dbraw/zinc/67/46/65/584674665.db2.gz RYVGWJGEFLBZHE-UHFFFAOYSA-N 0 3 242.319 0.987 20 0 BCADHN C[C@@H](NCCN1CCC[C@@H]1C)c1cn(C)nn1 ZINC000902825883 584676112 /nfs/dbraw/zinc/67/61/12/584676112.db2.gz PELVYKUGMXZAII-WDEREUQCSA-N 0 3 237.351 0.950 20 0 BCADHN CN1CCC[C@H]1CNC(=O)OC1COC1 ZINC000902825470 584676514 /nfs/dbraw/zinc/67/65/14/584676514.db2.gz XTKVABGYNJMORZ-QMMMGPOBSA-N 0 3 214.265 0.206 20 0 BCADHN CCN1CCCN(C(=O)OC2COC2)CC1 ZINC000902834774 584679292 /nfs/dbraw/zinc/67/92/92/584679292.db2.gz LQMYFUCLDVXASL-UHFFFAOYSA-N 0 3 228.292 0.549 20 0 BCADHN CN(CCN1CCCC1)C(=O)OC1COC1 ZINC000902844814 584680927 /nfs/dbraw/zinc/68/09/27/584680927.db2.gz LUIGIFHEQWESDG-UHFFFAOYSA-N 0 3 228.292 0.549 20 0 BCADHN O=C(CCO)NC[C@@H]1CCCCN1C1CC1 ZINC000902927805 584698102 /nfs/dbraw/zinc/69/81/02/584698102.db2.gz AUMUCVCIXDTGEO-NSHDSACASA-N 0 3 226.320 0.502 20 0 BCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)CCO ZINC000902929596 584698614 /nfs/dbraw/zinc/69/86/14/584698614.db2.gz AZLWJIBWKMGJLC-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CCCN1CCC[C@H]1CNC(=O)OC1COC1 ZINC000902933712 584699573 /nfs/dbraw/zinc/69/95/73/584699573.db2.gz CLZAGUVXSRXBTK-JTQLQIEISA-N 0 3 242.319 0.986 20 0 BCADHN CN1C[C@H]2CCN(C(=O)OC3COC3)[C@@H]2C1 ZINC000902937989 584700829 /nfs/dbraw/zinc/70/08/29/584700829.db2.gz HGYMJTJOPSNGDF-PSASIEDQSA-N 0 3 226.276 0.158 20 0 BCADHN CN1C[C@H]2CCN(C(=O)OC3COC3)[C@H]2C1 ZINC000902937990 584701068 /nfs/dbraw/zinc/70/10/68/584701068.db2.gz HGYMJTJOPSNGDF-SCZZXKLOSA-N 0 3 226.276 0.158 20 0 BCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)CCO ZINC000902954771 584705136 /nfs/dbraw/zinc/70/51/36/584705136.db2.gz HBMSAUCYLYXJBB-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN O=C(CCO)NC[C@@H]1CCN1C1CCCCC1 ZINC000902957007 584705744 /nfs/dbraw/zinc/70/57/44/584705744.db2.gz BHNZNYFZMAKKPF-LBPRGKRZSA-N 0 3 240.347 0.892 20 0 BCADHN O=C(CCO)NC[C@H]1CCN1C1CCCCC1 ZINC000902957006 584705769 /nfs/dbraw/zinc/70/57/69/584705769.db2.gz BHNZNYFZMAKKPF-GFCCVEGCSA-N 0 3 240.347 0.892 20 0 BCADHN CCN1CCCN(C(=O)OC2COC2)[C@@H](C)C1 ZINC000902961033 584706366 /nfs/dbraw/zinc/70/63/66/584706366.db2.gz IFJPNKOLNDQANO-JTQLQIEISA-N 0 3 242.319 0.938 20 0 BCADHN CC(=O)NCCCN[C@@H](C)c1ccn(C)n1 ZINC000902978141 584708005 /nfs/dbraw/zinc/70/80/05/584708005.db2.gz ZAOPMOCVASRPHY-VIFPVBQESA-N 0 3 224.308 0.597 20 0 BCADHN O=C1NCC[C@H]1CCN1CCC[C@@H](F)C1 ZINC000902991928 584709753 /nfs/dbraw/zinc/70/97/53/584709753.db2.gz FLPGUXLLSWJYIA-VHSXEESVSA-N 0 3 214.284 0.947 20 0 BCADHN O=C1C[C@H](CN2CCC[C@H](F)C2)CN1 ZINC000902993252 584711255 /nfs/dbraw/zinc/71/12/55/584711255.db2.gz RFLGDTCRVUIIBI-IUCAKERBSA-N 0 3 200.257 0.556 20 0 BCADHN CC1(CN2CC[C@H](Nc3ncccn3)C2)COC1 ZINC000903018962 584713532 /nfs/dbraw/zinc/71/35/32/584713532.db2.gz GUFHNFUWUFDFJV-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN CC[C@@H](CO)N1CC[C@H](Nc2ncccn2)C1 ZINC000903020136 584715164 /nfs/dbraw/zinc/71/51/64/584715164.db2.gz VWDGRMRELDMJOG-QWRGUYRKSA-N 0 3 236.319 0.734 20 0 BCADHN c1cnc(N[C@H]2CCN([C@H]3CCOC3)C2)nc1 ZINC000903022218 584720848 /nfs/dbraw/zinc/72/08/48/584720848.db2.gz GBBJXECCFJGSCC-QWRGUYRKSA-N 0 3 234.303 0.752 20 0 BCADHN c1cnc(N[C@@H]2CCN([C@H]3CCOC3)C2)nc1 ZINC000903022217 584720922 /nfs/dbraw/zinc/72/09/22/584720922.db2.gz GBBJXECCFJGSCC-MNOVXSKESA-N 0 3 234.303 0.752 20 0 BCADHN C[C@H](O)CN1CC[C@H](Nc2ncccn2)C1 ZINC000903024833 584721402 /nfs/dbraw/zinc/72/14/02/584721402.db2.gz YJQWYMHLHSRADB-UWVGGRQHSA-N 0 3 222.292 0.344 20 0 BCADHN OCCCN1CC[C@H](Nc2ncccn2)C1 ZINC000903025806 584721413 /nfs/dbraw/zinc/72/14/13/584721413.db2.gz DYVVGTBIXRXYJO-JTQLQIEISA-N 0 3 222.292 0.345 20 0 BCADHN CC(C)[C@H](N[C@H](C)CCO)c1nncn1C ZINC000903064074 584722902 /nfs/dbraw/zinc/72/29/02/584722902.db2.gz KNZUKIBSLJNRIL-ZJUUUORDSA-N 0 3 226.324 0.873 20 0 BCADHN CO[C@@H]1CCC[C@H]1N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000903125895 584729806 /nfs/dbraw/zinc/72/98/06/584729806.db2.gz PGULNKHHUVDRMO-YUSALJHKSA-N 0 3 238.331 0.907 20 0 BCADHN CO[C@@H]1CCC[C@@H]1N[C@@H]1COC[C@H]1OC ZINC000903194841 584734528 /nfs/dbraw/zinc/73/45/28/584734528.db2.gz QPYYYFDLUSAEFP-LNFKQOIKSA-N 0 3 215.293 0.557 20 0 BCADHN CO[C@@H]1CCC[C@H]1NCCS(=O)(=O)C1CC1 ZINC000903189961 584735929 /nfs/dbraw/zinc/73/59/29/584735929.db2.gz MBAGVNCOADEDSA-GHMZBOCLSA-N 0 3 247.360 0.721 20 0 BCADHN CS(=O)(=O)C[C@@H](O)CNC1CC2(CCC2)C1 ZINC000903226844 584736861 /nfs/dbraw/zinc/73/68/61/584736861.db2.gz NBYQDLCLGMCCEJ-JTQLQIEISA-N 0 3 247.360 0.314 20 0 BCADHN C[C@@H](NCCCc1nnnn1C)c1nccn1C ZINC000903349292 584753653 /nfs/dbraw/zinc/75/36/53/584753653.db2.gz SJIFHNKLMRGNQW-SECBINFHSA-N 0 3 249.322 0.227 20 0 BCADHN C[C@@H](C[C@H]1CCC(=O)N1)NCc1cn(C)cn1 ZINC000903351533 584755303 /nfs/dbraw/zinc/75/53/03/584755303.db2.gz LNPYFOJWVUQWAL-VHSXEESVSA-N 0 3 236.319 0.567 20 0 BCADHN C[C@@H](CC(N)=O)NCc1ccc(CCO)cc1 ZINC000903398712 584760597 /nfs/dbraw/zinc/76/05/97/584760597.db2.gz XHGIXOUVPHXJAN-JTQLQIEISA-N 0 3 236.315 0.575 20 0 BCADHN C[C@]1(C2CC2)COCCN1C[C@@H]1CNCCO1 ZINC000903881149 584817943 /nfs/dbraw/zinc/81/79/43/584817943.db2.gz FKSHSFIVBGZAKR-QWHCGFSZSA-N 0 3 240.347 0.476 20 0 BCADHN COCCCCc1noc([C@H](CN)OC)n1 ZINC000904090416 584839772 /nfs/dbraw/zinc/83/97/72/584839772.db2.gz WXIKLZYSCCAJAB-QMMMGPOBSA-N 0 3 229.280 0.685 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)OCCF)[C@@H]2C1 ZINC000859166483 589012709 /nfs/dbraw/zinc/01/27/09/589012709.db2.gz BXMRGRSWNRYBDK-DTWKUNHWSA-N 0 3 216.256 0.728 20 0 BCADHN CNC(=O)CCCN(C)Cc1ccc(N)nn1 ZINC000904324525 584865143 /nfs/dbraw/zinc/86/51/43/584865143.db2.gz JMRXEPQAGDXADV-UHFFFAOYSA-N 0 3 237.307 0.017 20 0 BCADHN CCN1C[C@H](C)N(Cc2ccc(N)nn2)C[C@@H]1C ZINC000904340408 584866580 /nfs/dbraw/zinc/86/65/80/584866580.db2.gz INZVRZNXTLDYFJ-QWRGUYRKSA-N 0 3 249.362 0.973 20 0 BCADHN C[C@H]1CC[C@@H](CNCc2ccc(N)nn2)O1 ZINC000904370771 584873490 /nfs/dbraw/zinc/87/34/90/584873490.db2.gz CVAKKAHFAIZQPD-WPRPVWTQSA-N 0 3 222.292 0.716 20 0 BCADHN COC(=O)C(C)(C)CCN[C@@H]1CNOC1 ZINC000904423817 584880359 /nfs/dbraw/zinc/88/03/59/584880359.db2.gz IOXSIMSTBFHIJI-MRVPVSSYSA-N 0 3 216.281 0.069 20 0 BCADHN Cc1ccnn1CC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000876832648 584887503 /nfs/dbraw/zinc/88/75/03/584887503.db2.gz QLKLROYCHKXTGR-WDEREUQCSA-N 0 3 236.319 0.400 20 0 BCADHN COC(=O)C1=CC[C@H](NC(=O)CNC(C)C)C1 ZINC000877002093 584888789 /nfs/dbraw/zinc/88/87/89/584888789.db2.gz PEXIAOBFAQHIRN-JTQLQIEISA-N 0 3 240.303 0.362 20 0 BCADHN CCNCC(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877176200 584891398 /nfs/dbraw/zinc/89/13/98/584891398.db2.gz CHWOUPOCEMYCJJ-WPCZNGEBSA-N 0 3 224.304 0.136 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](O)c1ccco1 ZINC000730276264 584897994 /nfs/dbraw/zinc/89/79/94/584897994.db2.gz 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0.006 20 0 BCADHN C[NH+]1CCC(CC(=O)[N-]OCC(C)(C)O)CC1 ZINC000834621311 584914075 /nfs/dbraw/zinc/91/40/75/584914075.db2.gz CFJIRSITJVSJJL-UHFFFAOYSA-N 0 3 244.335 0.537 20 0 BCADHN C/C=C\C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000730841542 584917807 /nfs/dbraw/zinc/91/78/07/584917807.db2.gz FFKIOKJTHMORDU-UMBAGQNISA-N 0 3 212.293 0.399 20 0 BCADHN c1cnn(C2CCN(CCn3cncn3)CC2)c1 ZINC000731354771 584925361 /nfs/dbraw/zinc/92/53/61/584925361.db2.gz VXWBGUSOJLVERT-UHFFFAOYSA-N 0 3 246.318 0.812 20 0 BCADHN CN(C)c1ncc(CN[C@@H]2CCN(C)C2)cn1 ZINC000731450544 584926489 /nfs/dbraw/zinc/92/64/89/584926489.db2.gz JXMUANCLODBQPI-LLVKDONJSA-N 0 3 235.335 0.336 20 0 BCADHN CNC(=S)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000731951187 584932240 /nfs/dbraw/zinc/93/22/40/584932240.db2.gz HGWRPBUWZHLYEZ-SECBINFHSA-N 0 3 213.350 0.659 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=S)NCCN(C)C ZINC000732725701 584940509 /nfs/dbraw/zinc/94/05/09/584940509.db2.gz ULFJNICQUAZONO-UWVGGRQHSA-N 0 3 247.408 0.419 20 0 BCADHN 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ZINC000753770767 585268811 /nfs/dbraw/zinc/26/88/11/585268811.db2.gz QPQYPKMGTRGVOC-UHFFFAOYSA-N 0 3 242.363 0.744 20 0 BCADHN CCONC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000753800127 585269236 /nfs/dbraw/zinc/26/92/36/585269236.db2.gz BFIPXMCBNWYCAZ-MRVPVSSYSA-N 0 3 213.281 0.474 20 0 BCADHN CONC(=O)NC[C@H](C)N1CCCCC1 ZINC000753824693 585270538 /nfs/dbraw/zinc/27/05/38/585270538.db2.gz KEHXTUWWIRYWHU-VIFPVBQESA-N 0 3 215.297 0.721 20 0 BCADHN NC(=O)C1(NCC[C@H]2CCOC2=O)CCCC1 ZINC000753847705 585270997 /nfs/dbraw/zinc/27/09/97/585270997.db2.gz BTAPKHIXKSBGMJ-VIFPVBQESA-N 0 3 240.303 0.327 20 0 BCADHN CN(CC[C@@H]1CCOC1=O)[C@H]1CCOC1 ZINC000753846215 585271155 /nfs/dbraw/zinc/27/11/55/585271155.db2.gz WYJBXDVGDOADMK-ZJUUUORDSA-N 0 3 213.277 0.660 20 0 BCADHN COC(=O)C[C@@H](N[C@@H]1CCN(C)C1=O)C1CC1 ZINC000754536694 585285372 /nfs/dbraw/zinc/28/53/72/585285372.db2.gz CUHKYVTZHMLYFE-NXEZZACHSA-N 0 3 240.303 0.148 20 0 BCADHN COC(=O)C[C@H](N[C@H](C)C(=O)N(C)C)C1CC1 ZINC000754536143 585285454 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BCADHN CC(C)(C)N(CCC1OCCCO1)CC(N)=O ZINC000761905367 585422681 /nfs/dbraw/zinc/42/26/81/585422681.db2.gz PYJPNLCMYDNVOK-UHFFFAOYSA-N 0 3 244.335 0.725 20 0 BCADHN C[C@H](C1=CCN(C)CC1)N1C(=O)CNC1=O ZINC000762318872 585430611 /nfs/dbraw/zinc/43/06/11/585430611.db2.gz ZLAVXVGSBRXRRI-MRVPVSSYSA-N 0 3 223.276 0.189 20 0 BCADHN C[C@H](C1=CCN(C)CC1)N1C(=O)CN(C)C1=O ZINC000762316613 585430660 /nfs/dbraw/zinc/43/06/60/585430660.db2.gz OYBOLSHUQRLPHO-SECBINFHSA-N 0 3 237.303 0.531 20 0 BCADHN CCc1cc(CNC(=O)NCCN(C)C)[nH]n1 ZINC000762423056 585432042 /nfs/dbraw/zinc/43/20/42/585432042.db2.gz FJISVLXTOBTBNJ-UHFFFAOYSA-N 0 3 239.323 0.333 20 0 BCADHN CCc1cc(CNC(=O)NCCN(C)C)n[nH]1 ZINC000762423056 585432043 /nfs/dbraw/zinc/43/20/43/585432043.db2.gz FJISVLXTOBTBNJ-UHFFFAOYSA-N 0 3 239.323 0.333 20 0 BCADHN CN1CC[C@](O)(CNC(=O)C=C2CCCC2)C1 ZINC000762714833 585436034 /nfs/dbraw/zinc/43/60/34/585436034.db2.gz DFQJSWMURMZOOF-ZDUSSCGKSA-N 0 3 238.331 0.670 20 0 BCADHN NC(=O)N[C@@H]1CCN(CCCCCCCO)C1 ZINC000762924964 585439653 /nfs/dbraw/zinc/43/96/53/585439653.db2.gz IXDSANFPBRUGBH-LLVKDONJSA-N 0 3 243.351 0.672 20 0 BCADHN NC(=O)N[C@H]1CCN(CCCCCCCO)C1 ZINC000762924979 585439788 /nfs/dbraw/zinc/43/97/88/585439788.db2.gz IXDSANFPBRUGBH-NSHDSACASA-N 0 3 243.351 0.672 20 0 BCADHN CN(C)C1(C(=O)NCCn2ccnc2)CCC1 ZINC000763024563 585441646 /nfs/dbraw/zinc/44/16/46/585441646.db2.gz KRJYOIJLEUCTHV-UHFFFAOYSA-N 0 3 236.319 0.484 20 0 BCADHN O=C(CN[C@H](CCO)C1CC1)NCC1CCC1 ZINC000763064281 585442831 /nfs/dbraw/zinc/44/28/31/585442831.db2.gz IFUYNTCKEXDUPI-GFCCVEGCSA-N 0 3 240.347 0.653 20 0 BCADHN CC[C@H](C)[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC000763073946 585442987 /nfs/dbraw/zinc/44/29/87/585442987.db2.gz SJQPGRKAKJKPJG-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@@H](O)CCNC(=S)NCCN(C)C ZINC000763154484 585443847 /nfs/dbraw/zinc/44/38/47/585443847.db2.gz FRMRIFAYRSLVKK-SECBINFHSA-N 0 3 233.381 0.173 20 0 BCADHN C[C@H]1OCC[C@H]1NC(=S)NCCN(C)C ZINC000763295769 585446203 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/nfs/dbraw/zinc/49/36/83/585493683.db2.gz YJSJBEZAIJEQHE-UHFFFAOYSA-N 0 3 236.319 0.521 20 0 BCADHN CC1CCN([C@H]2CCC(=O)NC2=O)CC1 ZINC000765958342 585494384 /nfs/dbraw/zinc/49/43/84/585494384.db2.gz KSFHOCRVTFJNLF-VIFPVBQESA-N 0 3 210.277 0.524 20 0 BCADHN COC[C@@H]1CCCN([C@H]2CCC(=O)NC2=O)C1 ZINC000765966908 585494853 /nfs/dbraw/zinc/49/48/53/585494853.db2.gz VZWBDZLWSPFWBY-ZJUUUORDSA-N 0 3 240.303 0.150 20 0 BCADHN C[C@H]1CO[C@H](CO)CN1C[Si](C)(C)C ZINC000766094947 585497616 /nfs/dbraw/zinc/49/76/16/585497616.db2.gz PGCMQMTZRBOHEJ-UWVGGRQHSA-N 0 3 217.385 0.945 20 0 BCADHN COC[C@@H](NC[C@H](O)c1cnn(C)c1)C1CC1 ZINC000766186929 585498637 /nfs/dbraw/zinc/49/86/37/585498637.db2.gz YXPZPUMDEHEMPV-NEPJUHHUSA-N 0 3 239.319 0.468 20 0 BCADHN C[C@@H](NC[C@H](O)c1cnn(C)c1)c1cnn(C)c1 ZINC000766181690 585498730 /nfs/dbraw/zinc/49/87/30/585498730.db2.gz DGAKQKWLZJNATJ-SKDRFNHKSA-N 0 3 249.318 0.538 20 0 BCADHN C[C@H]1CN(CCn2ccnc2)CCN1C ZINC000766249784 585499794 /nfs/dbraw/zinc/49/97/94/585499794.db2.gz QHXILOYPJBZTMO-NSHDSACASA-N 0 3 208.309 0.519 20 0 BCADHN CCOC(=O)N[C@H]1CCCN(C[C@H](C)CO)C1 ZINC000766896244 585510049 /nfs/dbraw/zinc/51/00/49/585510049.db2.gz YKLXXTQXDZVDBK-QWRGUYRKSA-N 0 3 244.335 0.825 20 0 BCADHN C[C@H](O)C[C@H]1COCCN1CCN1CCCC1 ZINC000767029639 585512929 /nfs/dbraw/zinc/51/29/29/585512929.db2.gz KHBMPFSLYJGJCJ-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN CN(C)CCNC(=O)C(F)(F)C1(O)CCC1 ZINC000767188109 585515409 /nfs/dbraw/zinc/51/54/09/585515409.db2.gz KVADHRFEEFLMCL-UHFFFAOYSA-N 0 3 236.262 0.215 20 0 BCADHN O=C(CCN1CCC(OCCO)CC1)C1CC1 ZINC000767500465 585521376 /nfs/dbraw/zinc/52/13/76/585521376.db2.gz IVAGFDPLWXDQMY-UHFFFAOYSA-N 0 3 241.331 0.829 20 0 BCADHN C[C@@H]1[C@@H](C)N(CCC2OCCO2)CCN1C ZINC000767823637 585526867 /nfs/dbraw/zinc/52/68/67/585526867.db2.gz UJJNGFKQXLJKSA-GHMZBOCLSA-N 0 3 228.336 0.774 20 0 BCADHN C[C@@H](C[S@@](C)=O)N(C)CCN1CCCC1 ZINC000767845137 585527028 /nfs/dbraw/zinc/52/70/28/585527028.db2.gz RRGGURZYZDUCKN-XHDPSFHLSA-N 0 3 232.393 0.781 20 0 BCADHN COC[C@@H]1CCCCN(CC(=O)N(C)OC)C1 ZINC000767948323 585528657 /nfs/dbraw/zinc/52/86/57/585528657.db2.gz MHFSLGPFGZMIAH-LLVKDONJSA-N 0 3 244.335 0.755 20 0 BCADHN CCN1CCC[C@H]1CNC(=S)NC[C@H](C)O ZINC000768279551 585535135 /nfs/dbraw/zinc/53/51/35/585535135.db2.gz CMGRTQJZMWMVBM-UWVGGRQHSA-N 0 3 245.392 0.316 20 0 BCADHN CCN1CCC[C@H]1CNC(=S)NC[C@@H](C)O ZINC000768279554 585535236 /nfs/dbraw/zinc/53/52/36/585535236.db2.gz CMGRTQJZMWMVBM-ZJUUUORDSA-N 0 3 245.392 0.316 20 0 BCADHN C[C@@H]1CN(Cc2ccc3c(c2)nnn3C)C[C@@H]1O ZINC000768767935 585542854 /nfs/dbraw/zinc/54/28/54/585542854.db2.gz OCWCBQBRIQAAEX-RNCFNFMXSA-N 0 3 246.314 0.781 20 0 BCADHN CC[C@@H](C)NC(=S)NCCN(CC)CCO ZINC000768790616 585543619 /nfs/dbraw/zinc/54/36/19/585543619.db2.gz ZASIAGNREXVXLA-SNVBAGLBSA-N 0 3 247.408 0.563 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1O ZINC000769129312 585549479 /nfs/dbraw/zinc/54/94/79/585549479.db2.gz RRNAJFCNJGIZEQ-ZJUUUORDSA-N 0 3 226.320 0.310 20 0 BCADHN CCN(CCO)CCN[C@@H](C)c1cnccn1 ZINC000769412988 585555835 /nfs/dbraw/zinc/55/58/35/585555835.db2.gz COVABDFYYAIMAA-NSHDSACASA-N 0 3 238.335 0.441 20 0 BCADHN CCN(CCO)CCNC(=O)/C=C(\C)C1CC1 ZINC000769635421 585560992 /nfs/dbraw/zinc/56/09/92/585560992.db2.gz KFRFEBGQVVFIHY-ZHACJKMWSA-N 0 3 240.347 0.773 20 0 BCADHN CN(C)C[C@@H]1CCCCN1C(=O)CC1COC1 ZINC000769703869 585562026 /nfs/dbraw/zinc/56/20/26/585562026.db2.gz SNURIYUAHVRALF-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN OC[C@]12C[C@H]1CN(CCO[C@@H]1CCCCO1)C2 ZINC000769800336 585563743 /nfs/dbraw/zinc/56/37/43/585563743.db2.gz KGHVCTSBZJASJL-YNEHKIRRSA-N 0 3 241.331 0.844 20 0 BCADHN C(C1OCCO1)N1CCC12CCOCC2 ZINC000769902872 585566407 /nfs/dbraw/zinc/56/64/07/585566407.db2.gz FIQRTMUTXGWSAT-UHFFFAOYSA-N 0 3 213.277 0.614 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ncccn1 ZINC000770061402 585570538 /nfs/dbraw/zinc/57/05/38/585570538.db2.gz RGPDZBCCUFOLGV-GHMZBOCLSA-N 0 3 248.330 0.966 20 0 BCADHN CN(CCOc1ccc(F)cc1)C[C@H](O)CO ZINC000770264097 585572209 /nfs/dbraw/zinc/57/22/09/585572209.db2.gz FSDOWPNKESYPSK-NSHDSACASA-N 0 3 243.278 0.490 20 0 BCADHN CN(C)c1ccccc1CN(C)C[C@H](O)CO ZINC000770266297 585572618 /nfs/dbraw/zinc/57/26/18/585572618.db2.gz ULEOFTCKINOTSG-LBPRGKRZSA-N 0 3 238.331 0.538 20 0 BCADHN COC[C@](C)(O)C(=O)OCCN1CCCCC1 ZINC000770383748 585573554 /nfs/dbraw/zinc/57/35/54/585573554.db2.gz LFQHJRPTODJBDG-LBPRGKRZSA-N 0 3 245.319 0.413 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](CO)C1CC1 ZINC000771023691 585587622 /nfs/dbraw/zinc/58/76/22/585587622.db2.gz BREQEUGWCNSXCA-JFGNBEQYSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCCn1cncn1 ZINC000805424034 585591936 /nfs/dbraw/zinc/59/19/36/585591936.db2.gz LEHJKLYZEZLTLW-JTQLQIEISA-N 0 3 239.323 0.125 20 0 BCADHN CCC1(C(=O)N[C@@H](C)CN(C)C)COC1 ZINC000805426354 585591998 /nfs/dbraw/zinc/59/19/98/585591998.db2.gz SIAYWFGRIWDSLN-VIFPVBQESA-N 0 3 214.309 0.479 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ncccn1 ZINC000805426039 585592156 /nfs/dbraw/zinc/59/21/56/585592156.db2.gz HJRHICFYTAOGSX-QMMMGPOBSA-N 0 3 208.265 0.157 20 0 BCADHN C[C@@H]1[C@H](C)N(CC[C@H]2CCOC2=O)CCN1C ZINC000771462681 585594508 /nfs/dbraw/zinc/59/45/08/585594508.db2.gz WFGUEOYLHCMQEQ-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H]1CCN(CCS(N)(=O)=O)CC12CCC2 ZINC000771465321 585594669 /nfs/dbraw/zinc/59/46/69/585594669.db2.gz SRBGSWBSAAQSSZ-JTQLQIEISA-N 0 3 246.376 0.787 20 0 BCADHN CN(C)CCNC(=S)N[C@@]1(C)CCCOC1 ZINC000771546125 585595864 /nfs/dbraw/zinc/59/58/64/585595864.db2.gz YQNBLSVZCAEMBW-NSHDSACASA-N 0 3 245.392 0.581 20 0 BCADHN CN(C)CCNC(=S)N[C@]1(C)CCCOC1 ZINC000771546122 585596020 /nfs/dbraw/zinc/59/60/20/585596020.db2.gz YQNBLSVZCAEMBW-LLVKDONJSA-N 0 3 245.392 0.581 20 0 BCADHN CN(C)C1(C(=O)N2CCC(CO)CC2)CCC1 ZINC000771760253 585599939 /nfs/dbraw/zinc/59/99/39/585599939.db2.gz NMKUPQXSAQAXHB-UHFFFAOYSA-N 0 3 240.347 0.702 20 0 BCADHN O=C(CN[C@H](CCO)C1CC1)Nc1ccon1 ZINC000771794712 585600057 /nfs/dbraw/zinc/60/00/57/585600057.db2.gz IAIXMIHSQLQURB-SECBINFHSA-N 0 3 239.275 0.364 20 0 BCADHN CC(C)(C)CCNC(=O)CN[C@H](CO)C1CC1 ZINC000771803294 585600301 /nfs/dbraw/zinc/60/03/01/585600301.db2.gz BDCUGIMKEXNQMG-LLVKDONJSA-N 0 3 242.363 0.899 20 0 BCADHN CN(CC1CC1)C(=O)CN[C@H](CCO)C1CC1 ZINC000771798025 585600326 /nfs/dbraw/zinc/60/03/26/585600326.db2.gz DNBCTOCJMGEWDT-GFCCVEGCSA-N 0 3 240.347 0.605 20 0 BCADHN O=c1cc(CN[C@@H](CCO)C2CC2)occ1O ZINC000771800634 585600353 /nfs/dbraw/zinc/60/03/53/585600353.db2.gz OPZYDGPVLWFQJO-JTQLQIEISA-N 0 3 239.271 0.596 20 0 BCADHN OCC[C@@H](NCc1cn2cccnc2n1)C1CC1 ZINC000771802863 585600445 /nfs/dbraw/zinc/60/04/45/585600445.db2.gz XZDTVRIAUIECRY-GFCCVEGCSA-N 0 3 246.314 0.980 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N[C@H](CCO)C1CC1 ZINC000771799253 585600514 /nfs/dbraw/zinc/60/05/14/585600514.db2.gz BSEYVVUDBKFYLY-CMPLNLGQSA-N 0 3 242.363 0.992 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H](O)c1cccnc1 ZINC000771977136 585605831 /nfs/dbraw/zinc/60/58/31/585605831.db2.gz HWQZCKCYBXGMMJ-GFCCVEGCSA-N 0 3 232.287 0.936 20 0 BCADHN CCN(CC)CCOC(=O)C(C)(C)CO ZINC000772075306 585607899 /nfs/dbraw/zinc/60/78/99/585607899.db2.gz KTZFMAZCDUQUAU-UHFFFAOYSA-N 0 3 217.309 0.890 20 0 BCADHN Cc1cnc(COC(=O)C2CCN(C)C2=O)o1 ZINC000772504751 585616804 /nfs/dbraw/zinc/61/68/04/585616804.db2.gz JXRGFRFIVPMHBC-QMMMGPOBSA-N 0 3 238.243 0.505 20 0 BCADHN CCOCCCOC(=O)C1CCN(C)C1=O ZINC000772516133 585617350 /nfs/dbraw/zinc/61/73/50/585617350.db2.gz AXHCICYLTMTZBS-VIFPVBQESA-N 0 3 229.276 0.435 20 0 BCADHN COCCCOC(=O)C1CCN(C)C1=O ZINC000772522009 585617617 /nfs/dbraw/zinc/61/76/17/585617617.db2.gz PHNXWJUVHMTZCI-QMMMGPOBSA-N 0 3 215.249 0.044 20 0 BCADHN COCCCCCOC(=O)C1CCN(C)C1=O ZINC000772529349 585617668 /nfs/dbraw/zinc/61/76/68/585617668.db2.gz BNZPBYPWHKWRNA-JTQLQIEISA-N 0 3 243.303 0.825 20 0 BCADHN CC(C)OCCCOC(=O)C1CCN(C)C1=O ZINC000772529323 585617870 /nfs/dbraw/zinc/61/78/70/585617870.db2.gz VBNQJZWPPUZKEQ-JTQLQIEISA-N 0 3 243.303 0.823 20 0 BCADHN C[N@@H+]1CC[C@@H](C(=O)[N-]OC2CCOCC2)C1 ZINC000772711732 585621922 /nfs/dbraw/zinc/62/19/22/585621922.db2.gz SMFLCKTXFMQISY-SECBINFHSA-N 0 3 228.292 0.165 20 0 BCADHN C[N@H+]1CC[C@@H](C(=O)[N-]OC2CCOCC2)C1 ZINC000772711732 585621923 /nfs/dbraw/zinc/62/19/23/585621923.db2.gz SMFLCKTXFMQISY-SECBINFHSA-N 0 3 228.292 0.165 20 0 BCADHN OCC[C@H](NCc1cnns1)C1CC1 ZINC000859250449 589023954 /nfs/dbraw/zinc/02/39/54/589023954.db2.gz KGFXXUIXPSOREB-VIFPVBQESA-N 0 3 213.306 0.789 20 0 BCADHN Cc1nccn1C[C@@H](C)CNC(=O)c1ncn[nH]1 ZINC000773281429 585634586 /nfs/dbraw/zinc/63/45/86/585634586.db2.gz CSZNUWKMAURKCW-QMMMGPOBSA-N 0 3 248.290 0.376 20 0 BCADHN Cc1nccn1C[C@@H](C)CNC(=O)c1nc[nH]n1 ZINC000773281429 585634587 /nfs/dbraw/zinc/63/45/87/585634587.db2.gz CSZNUWKMAURKCW-QMMMGPOBSA-N 0 3 248.290 0.376 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)C1(F)CCCC1 ZINC000773481385 585637921 /nfs/dbraw/zinc/63/79/21/585637921.db2.gz RHLWONLHRHQUJX-LLVKDONJSA-N 0 3 246.326 0.698 20 0 BCADHN CC(=O)CCCC(=O)NC1CC(N(C)C)C1 ZINC000773486902 585638052 /nfs/dbraw/zinc/63/80/52/585638052.db2.gz KXJTZBCGYWESAE-UHFFFAOYSA-N 0 3 226.320 0.955 20 0 BCADHN CC(C)C(=O)[N-]OC1CC[NH+](C)CC1 ZINC000773543122 585640075 /nfs/dbraw/zinc/64/00/75/585640075.db2.gz TWKOYPIGGMYNAX-UHFFFAOYSA-N 0 3 200.282 0.784 20 0 BCADHN CN1CCC(ONC(=O)c2ccn[nH]2)CC1 ZINC000773547820 585640285 /nfs/dbraw/zinc/64/02/85/585640285.db2.gz UTEGXRVFXPUASI-UHFFFAOYSA-N 0 3 224.264 0.165 20 0 BCADHN C[C@@H]1C[C@H]1COC(=O)C1CCN(C)C1=O ZINC000774027923 585648893 /nfs/dbraw/zinc/64/88/93/585648893.db2.gz QOUBWROUHZDTSB-VGMNWLOBSA-N 0 3 211.261 0.664 20 0 BCADHN COC[C@H](C)OC(=O)C1CCN(C)C1=O ZINC000774088329 585650029 /nfs/dbraw/zinc/65/00/29/585650029.db2.gz ZXEIHTBCCDNPJE-YUMQZZPRSA-N 0 3 215.249 0.043 20 0 BCADHN CO[C@@H](C)CCOC(=O)C1CCN(C)C1=O ZINC000774115833 585650077 /nfs/dbraw/zinc/65/00/77/585650077.db2.gz SOGBJLMYEHZWCW-IUCAKERBSA-N 0 3 229.276 0.433 20 0 BCADHN COC[C@H](C)OC(=O)C1CCN(C)C1=O ZINC000774088327 585650130 /nfs/dbraw/zinc/65/01/30/585650130.db2.gz ZXEIHTBCCDNPJE-JGVFFNPUSA-N 0 3 215.249 0.043 20 0 BCADHN C[C@H](OC(=O)C1CCN(C)C1=O)C(F)(F)F ZINC000774126702 585650445 /nfs/dbraw/zinc/65/04/45/585650445.db2.gz MPHZXRASYUDWMV-WDSKDSINSA-N 0 3 239.193 0.959 20 0 BCADHN C[C@H](NC[C@H](O)c1cnn(C)c1)c1ccnn1C ZINC000774204781 585653703 /nfs/dbraw/zinc/65/37/03/585653703.db2.gz KBTMOLOQKINFPE-CABZTGNLSA-N 0 3 249.318 0.538 20 0 BCADHN C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccnn1C ZINC000774204778 585653805 /nfs/dbraw/zinc/65/38/05/585653805.db2.gz KBTMOLOQKINFPE-BXKDBHETSA-N 0 3 249.318 0.538 20 0 BCADHN CN(C)CCNC(=S)N(C)C[C@@H]1CCCO1 ZINC000774208864 585653914 /nfs/dbraw/zinc/65/39/14/585653914.db2.gz CZMGRLVBFIFIRK-JTQLQIEISA-N 0 3 245.392 0.533 20 0 BCADHN COC[C@H](OC(=O)C1CCN(C)C1=O)C1CC1 ZINC000774223685 585654582 /nfs/dbraw/zinc/65/45/82/585654582.db2.gz ASWFPLYHFVNIQD-ZJUUUORDSA-N 0 3 241.287 0.433 20 0 BCADHN O=CN1CCC(N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000774257834 585655243 /nfs/dbraw/zinc/65/52/43/585655243.db2.gz PBKQMNCAQHWMGS-GFCCVEGCSA-N 0 3 248.330 0.998 20 0 BCADHN CON(C)C(=O)CN1CCC[C@H]2COCC[C@H]21 ZINC000774659211 585663035 /nfs/dbraw/zinc/66/30/35/585663035.db2.gz HFUMSFUYQJXHGK-WDEREUQCSA-N 0 3 242.319 0.507 20 0 BCADHN CN(C)CCNC(=O)C1(C)COC(C)(C)OC1 ZINC000775141754 585672531 /nfs/dbraw/zinc/67/25/31/585672531.db2.gz TUOZXUCPCQQHMS-UHFFFAOYSA-N 0 3 244.335 0.453 20 0 BCADHN CCOCCO[N-]C(=O)C1CC[NH+](C)CC1 ZINC000775243549 585673353 /nfs/dbraw/zinc/67/33/53/585673353.db2.gz FTKXWOPTKQCBGW-UHFFFAOYSA-N 0 3 230.308 0.413 20 0 BCADHN C[C@H]1CCOCCN1CCN1CCOC1=O ZINC000775570711 585680429 /nfs/dbraw/zinc/68/04/29/585680429.db2.gz VMEFYNYKLKTBRX-JTQLQIEISA-N 0 3 228.292 0.549 20 0 BCADHN CC(C)C[C@H](CO)N(C)CC1OCCO1 ZINC000775752653 585683992 /nfs/dbraw/zinc/68/39/92/585683992.db2.gz CIVLEFORAQJIKF-SNVBAGLBSA-N 0 3 217.309 0.698 20 0 BCADHN CCCN(C)CC(=O)NCCCCCCO ZINC000775860761 585686592 /nfs/dbraw/zinc/68/65/92/585686592.db2.gz VOAQTENJWZFNNO-UHFFFAOYSA-N 0 3 230.352 0.997 20 0 BCADHN C[C@H]1CN(CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC000776200690 585692639 /nfs/dbraw/zinc/69/26/39/585692639.db2.gz OQVCVKHAXPVCBZ-DTORHVGOSA-N 0 3 225.292 0.426 20 0 BCADHN C[C@H]1CN(CN2CC(=O)N(C)C2=O)C[C@@H]1C ZINC000776200693 585692786 /nfs/dbraw/zinc/69/27/86/585692786.db2.gz OQVCVKHAXPVCBZ-IUCAKERBSA-N 0 3 225.292 0.426 20 0 BCADHN CC(C)[C@H]1CCCN1CN1CC(=O)N(C)C1=O ZINC000776202145 585693078 /nfs/dbraw/zinc/69/30/78/585693078.db2.gz HVLVHXKVGOXOOM-SNVBAGLBSA-N 0 3 239.319 0.958 20 0 BCADHN CN(C[C@H]1CCCOC1)Cn1cnnc1 ZINC000776758891 585704043 /nfs/dbraw/zinc/70/40/43/585704043.db2.gz SJQYWFVQFRNCFK-SNVBAGLBSA-N 0 3 210.281 0.594 20 0 BCADHN c1nncn1CN1CCC2(C1)CCOCC2 ZINC000776760503 585704760 /nfs/dbraw/zinc/70/47/60/585704760.db2.gz RJAIJUUYKZIODW-UHFFFAOYSA-N 0 3 222.292 0.738 20 0 BCADHN c1nncn1CN1CC[C@]2(CCOC2)C1 ZINC000776763196 585704881 /nfs/dbraw/zinc/70/48/81/585704881.db2.gz HRCFSXHZIUCJSG-JTQLQIEISA-N 0 3 208.265 0.348 20 0 BCADHN Cc1nccn1CCCN(C)Cn1cnnc1 ZINC000776763958 585705062 /nfs/dbraw/zinc/70/50/62/585705062.db2.gz UYRVNUTXHJIVNM-UHFFFAOYSA-N 0 3 234.307 0.763 20 0 BCADHN Cn1cnc2cc(CNCCC(N)=O)ccc21 ZINC000776932723 585706714 /nfs/dbraw/zinc/70/67/14/585706714.db2.gz RYNRLCOTBOBGFY-UHFFFAOYSA-N 0 3 232.287 0.538 20 0 BCADHN C[C@H]1CN(C(=S)NCCN(C)C)CC[C@H]1O ZINC000777486430 585713617 /nfs/dbraw/zinc/71/36/17/585713617.db2.gz IKSPWQPYVYBDRG-VHSXEESVSA-N 0 3 245.392 0.125 20 0 BCADHN CN(CC1OCCO1)[C@H]1CCN(C2CC2)C1 ZINC000777580485 585715860 /nfs/dbraw/zinc/71/58/60/585715860.db2.gz CPSPUTDJVVMQEH-NSHDSACASA-N 0 3 226.320 0.528 20 0 BCADHN COCCOC[C@@H]1CCN(CC2OCCO2)C1 ZINC000777591299 585716533 /nfs/dbraw/zinc/71/65/33/585716533.db2.gz VYTVUMCJKLZLQW-LLVKDONJSA-N 0 3 245.319 0.344 20 0 BCADHN CC[C@H]1NC(=O)N([C@H]2CCCN(C)C2)C1=O ZINC000777620736 585717104 /nfs/dbraw/zinc/71/71/04/585717104.db2.gz SGIPQOLAJRSWOY-DTWKUNHWSA-N 0 3 225.292 0.411 20 0 BCADHN CN1CCC[C@H](N2C(=O)CN(C3CC3)C2=O)C1 ZINC000777620527 585717127 /nfs/dbraw/zinc/71/71/27/585717127.db2.gz RIHFYRIPHHPNAF-JTQLQIEISA-N 0 3 237.303 0.507 20 0 BCADHN CCN1C[C@@H](C)N(CC2OCCO2)C[C@H]1C ZINC000777715934 585718990 /nfs/dbraw/zinc/71/89/90/585718990.db2.gz FBAAWYWBOVHHOU-GHMZBOCLSA-N 0 3 228.336 0.774 20 0 BCADHN Cn1cc([C@@H](CO)NCCN2CCCC2)cn1 ZINC000778138671 585726211 /nfs/dbraw/zinc/72/62/11/585726211.db2.gz SHWMSNLBUMZHKY-GFCCVEGCSA-N 0 3 238.335 0.139 20 0 BCADHN Fc1ccc(CNCCCn2cncn2)cn1 ZINC000778155546 585726301 /nfs/dbraw/zinc/72/63/01/585726301.db2.gz CNWQGILXKXYNNA-UHFFFAOYSA-N 0 3 235.266 0.992 20 0 BCADHN C[C@H](Cn1cncn1)NCc1ccc(F)nc1 ZINC000778164387 585726841 /nfs/dbraw/zinc/72/68/41/585726841.db2.gz LIXNHVBYTKZJGR-SECBINFHSA-N 0 3 235.266 0.991 20 0 BCADHN C[C@H]1CCN(CCN2CCCC2)[C@@H](C(N)=O)C1 ZINC000778295483 585730401 /nfs/dbraw/zinc/73/04/01/585730401.db2.gz PVBCUSVYJOQTNY-NWDGAFQWSA-N 0 3 239.363 0.668 20 0 BCADHN CC[C@@]1(O)CCN(C/C=C(/C)C(=O)OC)C1 ZINC000778388850 585733356 /nfs/dbraw/zinc/73/33/56/585733356.db2.gz RMEIKSQSTRSSJZ-DUWGPSABSA-N 0 3 227.304 0.953 20 0 BCADHN CC[C@]1(O)CCN(CC2OCCO2)C1 ZINC000778391555 585733402 /nfs/dbraw/zinc/73/34/02/585733402.db2.gz KJRMHNQOWSVBFJ-JTQLQIEISA-N 0 3 201.266 0.206 20 0 BCADHN CCN(CC(=O)NC)C[C@@H]1CCO[C@@H](C)C1 ZINC000778996385 585743739 /nfs/dbraw/zinc/74/37/39/585743739.db2.gz NESGBEPCOOMGSF-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1O ZINC000779273074 585749731 /nfs/dbraw/zinc/74/97/31/585749731.db2.gz KGFUKAPHNPZMDE-GHMZBOCLSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@H](CCO)NCC(=O)NCc1ccco1 ZINC000779383835 585752844 /nfs/dbraw/zinc/75/28/44/585752844.db2.gz PIEWYKZZVLHJIU-SECBINFHSA-N 0 3 226.276 0.256 20 0 BCADHN CCONC(=O)CCN(C)c1ccncc1 ZINC000779492143 585755920 /nfs/dbraw/zinc/75/59/20/585755920.db2.gz CRXMYJNZQWLZQF-UHFFFAOYSA-N 0 3 223.276 0.976 20 0 BCADHN C[C@H](O)[C@@H]1CCN(C(=S)NCCN(C)C)C1 ZINC000779728127 585759805 /nfs/dbraw/zinc/75/98/05/585759805.db2.gz UGFJKVVFEWCEBE-VHSXEESVSA-N 0 3 245.392 0.125 20 0 BCADHN CC[C@@H](CO)C(=O)NCCN(C)C1CC1 ZINC000779749165 585760651 /nfs/dbraw/zinc/76/06/51/585760651.db2.gz RJWNUENVAQSCOT-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN CC[C@H](CO)C(=O)N(C)CCN1CCCC1 ZINC000779766556 585761262 /nfs/dbraw/zinc/76/12/62/585761262.db2.gz YVGGRCPMDNXJIF-LLVKDONJSA-N 0 3 228.336 0.559 20 0 BCADHN CC[C@H](CO)C(=O)N1CCC[C@@H]1CN(C)C ZINC000779765273 585761739 /nfs/dbraw/zinc/76/17/39/585761739.db2.gz RLOIBRSYRCNAEX-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN CC[C@@H](CN1CCCC1)NC(=O)[C@@H](CC)CO ZINC000779777898 585762365 /nfs/dbraw/zinc/76/23/65/585762365.db2.gz JBVOAKNSDVPZKW-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CC[C@H](CO)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000779779374 585762653 /nfs/dbraw/zinc/76/26/53/585762653.db2.gz WVTDOXUXINIXLH-PWSUYJOCSA-N 0 3 240.347 0.558 20 0 BCADHN CC[C@@H](CO)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000779835008 585768298 /nfs/dbraw/zinc/76/82/98/585768298.db2.gz JLWORQXPTVGFNH-MNOVXSKESA-N 0 3 240.347 0.772 20 0 BCADHN CCN(C)S(=O)(=O)NCCN1CCC[C@H]1C ZINC000780864631 585785502 /nfs/dbraw/zinc/78/55/02/585785502.db2.gz DJJZTJWWLNKUII-SNVBAGLBSA-N 0 3 249.380 0.257 20 0 BCADHN C[C@@H](O)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000781043606 585789027 /nfs/dbraw/zinc/78/90/27/585789027.db2.gz NVEBZMUATBWDOF-MNOVXSKESA-N 0 3 240.347 0.700 20 0 BCADHN O=CN1CCCN(CCn2ccnc2)CC1 ZINC000781560180 585798636 /nfs/dbraw/zinc/79/86/36/585798636.db2.gz SGAMKHFWVLPKJD-UHFFFAOYSA-N 0 3 222.292 0.047 20 0 BCADHN CC(C)OCCN1CCCN(C=O)CC1 ZINC000781562141 585798714 /nfs/dbraw/zinc/79/87/14/585798714.db2.gz VFAVMWHRXAYSCC-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN COC(CN1CCN(C)[C@H](C)[C@H]1C)OC ZINC000781902940 585805232 /nfs/dbraw/zinc/80/52/32/585805232.db2.gz PDGQCAOSVUEJFG-NXEZZACHSA-N 0 3 216.325 0.630 20 0 BCADHN C[C@H]1CN(CCF)CCN1CC(C)(C)O ZINC000782005098 585806251 /nfs/dbraw/zinc/80/62/51/585806251.db2.gz XWSQDHNWFWGMSB-JTQLQIEISA-N 0 3 218.316 0.733 20 0 BCADHN CC(C)OCCN1CCC2(CNC(=O)O2)CC1 ZINC000781997501 585806431 /nfs/dbraw/zinc/80/64/31/585806431.db2.gz CHVOKHBQHZIWCS-UHFFFAOYSA-N 0 3 242.319 0.986 20 0 BCADHN C[C@@H](O)CN1CCN([C@H](C)C2CC2)CC1 ZINC000782182700 585810366 /nfs/dbraw/zinc/81/03/66/585810366.db2.gz FNWQWECICLIKAB-GHMZBOCLSA-N 0 3 212.337 0.783 20 0 BCADHN C[C@H]1CN(C)C(=O)CN1CCN1CCCCC1 ZINC000782588066 585820841 /nfs/dbraw/zinc/82/08/41/585820841.db2.gz VFMYISRSAOSWJM-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN O=C1OCCN1CCCN1C[C@H]2C[C@@]2(CO)C1 ZINC000782610653 585821845 /nfs/dbraw/zinc/82/18/45/585821845.db2.gz YSQROKPFOOXIQA-PWSUYJOCSA-N 0 3 240.303 0.143 20 0 BCADHN O=C1CCCN1CCCN1C[C@@H]2C[C@]2(CO)C1 ZINC000782609825 585822004 /nfs/dbraw/zinc/82/20/04/585822004.db2.gz RJAYYTVGBMDWER-WCQYABFASA-N 0 3 238.331 0.313 20 0 BCADHN CCOC(CN1C[C@@H]2C[C@]2(CO)C1)OCC ZINC000782614007 585822177 /nfs/dbraw/zinc/82/21/77/585822177.db2.gz FNWWPJVQATXTBX-CMPLNLGQSA-N 0 3 229.320 0.700 20 0 BCADHN CO[C@@H]1CCCN(CC2OCCO2)CC1 ZINC000783018323 585827168 /nfs/dbraw/zinc/82/71/68/585827168.db2.gz KUISLSPNSJZDIH-SNVBAGLBSA-N 0 3 215.293 0.860 20 0 BCADHN O=C1CN(CC[C@H]2CCOC2)CCCN1 ZINC000783548906 585836259 /nfs/dbraw/zinc/83/62/59/585836259.db2.gz WPJIGUWMPUUUGR-JTQLQIEISA-N 0 3 212.293 0.235 20 0 BCADHN Cc1[nH]ncc1CN1CC(=O)N(C)C[C@H]1C ZINC000783735101 585841285 /nfs/dbraw/zinc/84/12/85/585841285.db2.gz YWMHJBRZLFICEP-MRVPVSSYSA-N 0 3 222.292 0.381 20 0 BCADHN OC[C@@]12C[C@@H]1CN(CCOC1CCC1)C2 ZINC000805751852 585842869 /nfs/dbraw/zinc/84/28/69/585842869.db2.gz QMDDAZFUASAQOC-PWSUYJOCSA-N 0 3 211.305 0.870 20 0 BCADHN CN(C)CCNC(=S)NCC[C@@H]1CCOC1 ZINC000783778015 585842999 /nfs/dbraw/zinc/84/29/99/585842999.db2.gz UJRLUTXCCAALOS-SNVBAGLBSA-N 0 3 245.392 0.439 20 0 BCADHN C[C@H](CO)N(CCC(=O)C1CC1)C[C@H](C)O ZINC000785537222 585875466 /nfs/dbraw/zinc/87/54/66/585875466.db2.gz OTEPXMQIWRZBGB-ZJUUUORDSA-N 0 3 229.320 0.419 20 0 BCADHN C[C@@H]1C[C@H](CN2CCOC[C@@H]2CCO)CCO1 ZINC000785766762 585880067 /nfs/dbraw/zinc/88/00/67/585880067.db2.gz LMQYIVPZWKMYQY-UPJWGTAASA-N 0 3 243.347 0.885 20 0 BCADHN Cc1cc(N2C[C@@H](C)N(C)C[C@H]2C)nc(N)n1 ZINC000785836788 585881757 /nfs/dbraw/zinc/88/17/57/585881757.db2.gz GFJFGWLPPMNALB-NXEZZACHSA-N 0 3 235.335 0.896 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=S)NCCN(C)C ZINC000786093413 585886962 /nfs/dbraw/zinc/88/69/62/585886962.db2.gz NDLZLBMMCBWOFN-DTWKUNHWSA-N 0 3 233.381 0.436 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000786174392 585888103 /nfs/dbraw/zinc/88/81/03/585888103.db2.gz QTXUIHMXPKLEBD-NOOOWODRSA-N 0 3 238.331 0.622 20 0 BCADHN COCCN(CCC1OCCO1)[C@H]1CCOC1 ZINC000786193247 585888471 /nfs/dbraw/zinc/88/84/71/585888471.db2.gz YLPQPMTXMGRLPQ-NSHDSACASA-N 0 3 245.319 0.487 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cnn(C)n2)CCN1C ZINC000786232820 585888927 /nfs/dbraw/zinc/88/89/27/585888927.db2.gz ZBRCMDGRJTXSMI-BDAKNGLRSA-N 0 3 237.307 0.028 20 0 BCADHN CN(C)CCN(C(=O)c1nccn1C)C1CC1 ZINC000788532272 585889269 /nfs/dbraw/zinc/88/92/69/585889269.db2.gz PDFFZNFKTHWFCO-UHFFFAOYSA-N 0 3 236.319 0.586 20 0 BCADHN COCCN1CCC(NC(=O)C(F)F)CC1 ZINC000787201087 585902748 /nfs/dbraw/zinc/90/27/48/585902748.db2.gz UVEVEJPFTSXVRL-UHFFFAOYSA-N 0 3 236.262 0.479 20 0 BCADHN CO[C@@H]1CC(=O)N(CN2C[C@H](C)C[C@@H]2C)C1 ZINC000787231839 585903784 /nfs/dbraw/zinc/90/37/84/585903784.db2.gz VZNKBLULVDNVDC-OUAUKWLOSA-N 0 3 226.320 0.922 20 0 BCADHN COC(=O)[C@@H]1CCN(CC(OC)OC)[C@@H]1C ZINC000787323003 585906969 /nfs/dbraw/zinc/90/69/69/585906969.db2.gz BCWVSGYBQQJMGX-RKDXNWHRSA-N 0 3 231.292 0.489 20 0 BCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(F)F ZINC000787333047 585907068 /nfs/dbraw/zinc/90/70/68/585907068.db2.gz UWFDPSXLWGQEMB-QMMMGPOBSA-N 0 3 218.247 0.852 20 0 BCADHN CCN1CCN(CCNC(=O)C(F)F)CC1 ZINC000787349311 585907507 /nfs/dbraw/zinc/90/75/07/585907507.db2.gz IBUJHPCBNDJTFX-UHFFFAOYSA-N 0 3 235.278 0.005 20 0 BCADHN O=C(NCc1c[nH]cn1)C1CCN(C2CC2)CC1 ZINC000787387521 585908605 /nfs/dbraw/zinc/90/86/05/585908605.db2.gz ZTCNKXGYOQOPGW-UHFFFAOYSA-N 0 3 248.330 0.900 20 0 BCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(F)F ZINC000787532243 585911193 /nfs/dbraw/zinc/91/11/93/585911193.db2.gz BTSFBISLDNMJNN-SECBINFHSA-N 0 3 249.305 0.394 20 0 BCADHN c1n[nH]nc1CN1CCC2(CC1)OCCO2 ZINC000787708017 585914179 /nfs/dbraw/zinc/91/41/79/585914179.db2.gz HXLUFGSCEHPXAY-UHFFFAOYSA-N 0 3 224.264 0.144 20 0 BCADHN c1[nH]nnc1CN1CCC2(CC1)OCCO2 ZINC000787708017 585914180 /nfs/dbraw/zinc/91/41/80/585914180.db2.gz HXLUFGSCEHPXAY-UHFFFAOYSA-N 0 3 224.264 0.144 20 0 BCADHN COC(=O)[C@H]1[C@@H](CN2CCC[C@@H]2CO)C1(F)F ZINC000787772895 585915553 /nfs/dbraw/zinc/91/55/53/585915553.db2.gz KGZVYZGWVSZAJC-IWSPIJDZSA-N 0 3 249.257 0.497 20 0 BCADHN Cn1c2ccc(CNC3(CO)CC3)cc2oc1=O ZINC000787777097 585915630 /nfs/dbraw/zinc/91/56/30/585915630.db2.gz TXBTWNJMBUCSIG-UHFFFAOYSA-N 0 3 248.282 0.746 20 0 BCADHN COC(=O)[C@@H]1[C@H](CNCC2(CO)CC2)C1(F)F ZINC000787773344 585915744 /nfs/dbraw/zinc/91/57/44/585915744.db2.gz FWMIIJSHHNYFQM-YUMQZZPRSA-N 0 3 249.257 0.403 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN2CC[C@H](CO)C2)C1(F)F ZINC000787774683 585915764 /nfs/dbraw/zinc/91/57/64/585915764.db2.gz UJXJCYYNYKWXKF-CIUDSAMLSA-N 0 3 249.257 0.355 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN2CC[C@@H](CO)C2)C1(F)F ZINC000787774685 585915863 /nfs/dbraw/zinc/91/58/63/585915863.db2.gz UJXJCYYNYKWXKF-HLTSFMKQSA-N 0 3 249.257 0.355 20 0 BCADHN CN1CCC(CN2CCS(=O)CC2)CC1 ZINC000788480937 585925176 /nfs/dbraw/zinc/92/51/76/585925176.db2.gz CRKQCDSLXUSRRW-UHFFFAOYSA-N 0 3 230.377 0.393 20 0 BCADHN C[C@@H]1OCC[C@@]1(O)CNCc1ccc(F)nc1 ZINC000788534665 585926225 /nfs/dbraw/zinc/92/62/25/585926225.db2.gz HTUXEXBIAVRODH-JOYOIKCWSA-N 0 3 240.278 0.850 20 0 BCADHN O=C(CC1OCCO1)N[C@@H]1CCN(C2CC2)C1 ZINC000788650855 585928441 /nfs/dbraw/zinc/92/84/41/585928441.db2.gz QIAFPAXIKFFHCI-SECBINFHSA-N 0 3 240.303 0.102 20 0 BCADHN Cc1cccc([C@@H](O)CN[C@H]2CCN(C)C2=O)c1 ZINC000788670636 585928665 /nfs/dbraw/zinc/92/86/65/585928665.db2.gz VEQJYKMBZWEPET-STQMWFEESA-N 0 3 248.326 0.849 20 0 BCADHN Cc1cc(N[C@@H](C)c2ncnn2C)nc(N)n1 ZINC000788863704 585931341 /nfs/dbraw/zinc/93/13/41/585931341.db2.gz NSXNYQMXXZMUOV-ZETCQYMHSA-N 0 3 233.279 0.669 20 0 BCADHN CCN(CCNC(=O)NOCCOC)C1CC1 ZINC000788955607 585932331 /nfs/dbraw/zinc/93/23/31/585932331.db2.gz LAJDEZUWEZDFIA-UHFFFAOYSA-N 0 3 245.323 0.348 20 0 BCADHN CNC(=O)CC(=O)OCCN1CCCCC1 ZINC000789097660 585935274 /nfs/dbraw/zinc/93/52/74/585935274.db2.gz XPZPOZWHUPZUDA-UHFFFAOYSA-N 0 3 228.292 0.152 20 0 BCADHN CN1CC[C@H](NC(=S)NC2(C)CC2)C1 ZINC000789208722 585936809 /nfs/dbraw/zinc/93/68/09/585936809.db2.gz XMYHJHMEHAUSNO-QMMMGPOBSA-N 0 3 213.350 0.707 20 0 BCADHN c1nncn1CN1CC[C@]2(C1)CCCOC2 ZINC000789569399 585944025 /nfs/dbraw/zinc/94/40/25/585944025.db2.gz ZDTNAYKYWCVIBP-NSHDSACASA-N 0 3 222.292 0.738 20 0 BCADHN CN(C)C1(C(=O)NC[C@@H]2CC[C@@H](O)C2)CCC1 ZINC000789857823 585951946 /nfs/dbraw/zinc/95/19/46/585951946.db2.gz FSMAIJWVJUBYKB-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN CCCN(CCN(C)C)C(=O)c1n[nH]nc1C ZINC000789934968 585954189 /nfs/dbraw/zinc/95/41/89/585954189.db2.gz IMENXISLDBHPMZ-UHFFFAOYSA-N 0 3 239.323 0.527 20 0 BCADHN Cc1nn[nH]c1C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000789943216 585954598 /nfs/dbraw/zinc/95/45/98/585954598.db2.gz VBAXSXMKKVOEDP-SNVBAGLBSA-N 0 3 249.318 0.279 20 0 BCADHN Cc1nn[nH]c1C(=O)N[C@H](CN(C)C)C(C)C ZINC000789948819 585954603 /nfs/dbraw/zinc/95/46/03/585954603.db2.gz BPGOBFSCWLCLSK-SECBINFHSA-N 0 3 239.323 0.429 20 0 BCADHN CN(C)C1(C(=O)NCCCCCO)CCC1 ZINC000791147048 585974524 /nfs/dbraw/zinc/97/45/24/585974524.db2.gz XOSXAHQYWSKTLE-UHFFFAOYSA-N 0 3 228.336 0.750 20 0 BCADHN CC(C)=CC(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000791253715 585975411 /nfs/dbraw/zinc/97/54/11/585975411.db2.gz HJNSUWWMVZQROA-ZDUSSCGKSA-N 0 3 240.347 0.868 20 0 BCADHN COC/C=C\C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000791346496 585978223 /nfs/dbraw/zinc/97/82/23/585978223.db2.gz GUERNIQYGBXIOW-JPVGGKMYSA-N 0 3 226.320 0.742 20 0 BCADHN COC/C=C/C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000791386909 585979940 /nfs/dbraw/zinc/97/99/40/585979940.db2.gz UCBQLSPKXYXOTJ-YIZUVKHSSA-N 0 3 238.331 0.930 20 0 BCADHN CCCN(CCN(C)C)C(=O)CC1OCCO1 ZINC000793434050 586019690 /nfs/dbraw/zinc/01/96/90/586019690.db2.gz AMNLRTOQXDROJK-UHFFFAOYSA-N 0 3 244.335 0.550 20 0 BCADHN CCN1CCCN(C(=O)CC2OCCO2)CC1 ZINC000793460497 586020730 /nfs/dbraw/zinc/02/07/30/586020730.db2.gz JNKKTHAZDPFEQP-UHFFFAOYSA-N 0 3 242.319 0.304 20 0 BCADHN Cc1cc([C@H](C)NC[C@@H]2COCCO2)n(C)n1 ZINC000793523992 586021606 /nfs/dbraw/zinc/02/16/06/586021606.db2.gz RALHCXKCTMOUSH-WDEREUQCSA-N 0 3 239.319 0.795 20 0 BCADHN COC[C@](C)(O)CN[C@@H](C)c1cc(C)nn1C ZINC000793543917 586022388 /nfs/dbraw/zinc/02/23/88/586022388.db2.gz WXUIUQVCPDGSME-CMPLNLGQSA-N 0 3 241.335 0.777 20 0 BCADHN Cc1cc([C@@H](C)NCCCOCCO)n(C)n1 ZINC000793555071 586022662 /nfs/dbraw/zinc/02/26/62/586022662.db2.gz UGRZBRMRIXFOQM-LLVKDONJSA-N 0 3 241.335 0.778 20 0 BCADHN C[C@H]1CN(C(=O)CCc2cnc[nH]2)CCN1C ZINC000793576191 586023227 /nfs/dbraw/zinc/02/32/27/586023227.db2.gz YPKADUPNSGHNDS-JTQLQIEISA-N 0 3 236.319 0.505 20 0 BCADHN COCC[C@@H](CO)N[C@H](C)c1cc(C)nn1C ZINC000793566123 586023407 /nfs/dbraw/zinc/02/34/07/586023407.db2.gz MJDPKMZUPPZUHT-MNOVXSKESA-N 0 3 241.335 0.777 20 0 BCADHN CC(C)N(C)CC(=O)N[C@]1(C)CCOC1=O ZINC000794082636 586031318 /nfs/dbraw/zinc/03/13/18/586031318.db2.gz JKGWKQWTLUFFMQ-LLVKDONJSA-N 0 3 228.292 0.148 20 0 BCADHN CSCCO[N-]C(=O)[C@H]1CC[N@H+](C)C1 ZINC000794195757 586035153 /nfs/dbraw/zinc/03/51/53/586035153.db2.gz PPCPMOYMWFWGAH-QMMMGPOBSA-N 0 3 218.322 0.349 20 0 BCADHN CSCCO[N-]C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000794195757 586035154 /nfs/dbraw/zinc/03/51/54/586035154.db2.gz PPCPMOYMWFWGAH-QMMMGPOBSA-N 0 3 218.322 0.349 20 0 BCADHN CC(C)[C@H](NCC(N)=O)[C@@H](O)c1ccccc1 ZINC000794599718 586045466 /nfs/dbraw/zinc/04/54/66/586045466.db2.gz HMYQGTYZBFUHQS-STQMWFEESA-N 0 3 236.315 0.820 20 0 BCADHN C[C@H]1CC(=O)N(CN2CC[C@@](C)(C(N)=O)C2)C1 ZINC000794708394 586047193 /nfs/dbraw/zinc/04/71/93/586047193.db2.gz ABSGCOMZXIOBGJ-JOYOIKCWSA-N 0 3 239.319 0.010 20 0 BCADHN Cc1nsc(C(=O)NCCN(C)C2CC2)n1 ZINC000794734378 586047549 /nfs/dbraw/zinc/04/75/49/586047549.db2.gz DHVNZBRNSJRTAC-UHFFFAOYSA-N 0 3 240.332 0.671 20 0 BCADHN CC[C@@H](CO)NCC(=O)Nc1ccc(O)cc1 ZINC000794916742 586054640 /nfs/dbraw/zinc/05/46/40/586054640.db2.gz RIHDGQQEXDGUKU-VIFPVBQESA-N 0 3 238.287 0.691 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCC[C@@H](C)O)C[C@@H]21 ZINC000794971565 586060007 /nfs/dbraw/zinc/06/00/07/586060007.db2.gz JPURMJIRPFQVNI-ZNSHCXBVSA-N 0 3 227.304 0.498 20 0 BCADHN C[C@@H]1C[C@@H](C)N1C(=S)NCCN(C)C ZINC000794998905 586062895 /nfs/dbraw/zinc/06/28/95/586062895.db2.gz MGZFSGLGPQONQK-RKDXNWHRSA-N 0 3 215.366 0.905 20 0 BCADHN C[C@@H]1C[C@H](C)N1C(=S)NCCN(C)C ZINC000794998902 586062917 /nfs/dbraw/zinc/06/29/17/586062917.db2.gz MGZFSGLGPQONQK-DTORHVGOSA-N 0 3 215.366 0.905 20 0 BCADHN CN1CC[C@]2(CCN(CCS(C)(=O)=O)C2)C1 ZINC000795316324 586074618 /nfs/dbraw/zinc/07/46/18/586074618.db2.gz QATMTZNITLKNGN-NSHDSACASA-N 0 3 246.376 0.059 20 0 BCADHN CCN1CCN(CCC(=O)N(C)OC)[C@H](C)C1 ZINC000796325765 586100758 /nfs/dbraw/zinc/10/07/58/586100758.db2.gz WKKYSRAHFNBTLV-LLVKDONJSA-N 0 3 243.351 0.422 20 0 BCADHN OCC[C@@H](NCc1c[nH]cn1)C1CCOCC1 ZINC000796457775 586104033 /nfs/dbraw/zinc/10/40/33/586104033.db2.gz ZYXSUDXDLIUUNY-GFCCVEGCSA-N 0 3 239.319 0.677 20 0 BCADHN CN(CCC(N)=O)C[C@@H](O)c1ccc(F)cn1 ZINC000796596348 586108277 /nfs/dbraw/zinc/10/82/77/586108277.db2.gz UFKKTXZPPVNCGN-SNVBAGLBSA-N 0 3 241.266 0.061 20 0 BCADHN Cc1cnc(COC(=O)C2CCN(C)C2=O)nc1 ZINC000808538025 586130640 /nfs/dbraw/zinc/13/06/40/586130640.db2.gz GTJNMTSJCRVORZ-SECBINFHSA-N 0 3 249.270 0.307 20 0 BCADHN CCC[C@@H](O)CNC[C@@H](O)c1cccnc1 ZINC000843075720 586136058 /nfs/dbraw/zinc/13/60/58/586136058.db2.gz NIHWGMVPGHUOCG-VXGBXAGGSA-N 0 3 224.304 0.866 20 0 BCADHN C[S@@](=O)CCN(C[C@@H]1CCOC1)C1CC1 ZINC000798192250 586138987 /nfs/dbraw/zinc/13/89/87/586138987.db2.gz BFWMRRQQFSYZII-ZUZCIYMTSA-N 0 3 231.361 0.866 20 0 BCADHN CC(=O)OC[C@H](C)NCCOC[C@H]1CCCO1 ZINC000798182871 586139025 /nfs/dbraw/zinc/13/90/25/586139025.db2.gz KWLVTEDMALCNPO-CMPLNLGQSA-N 0 3 245.319 0.723 20 0 BCADHN C[S@](=O)CCN1CC[C@@]2(CCOC2)C1 ZINC000798195553 586139857 /nfs/dbraw/zinc/13/98/57/586139857.db2.gz FYQWUSZKFWVPIH-YGRLFVJLSA-N 0 3 217.334 0.477 20 0 BCADHN C[S@@](=O)CCN1CC[C@H](N2CCCC2)C1 ZINC000798195951 586139882 /nfs/dbraw/zinc/13/98/82/586139882.db2.gz RCWFOMFPCVTIFU-XHDPSFHLSA-N 0 3 230.377 0.535 20 0 BCADHN CN(C)[C@@H]1CCCN(CC[S@](C)=O)C1 ZINC000798195652 586139928 /nfs/dbraw/zinc/13/99/28/586139928.db2.gz PAORQJXMIGMAOF-YGRLFVJLSA-N 0 3 218.366 0.391 20 0 BCADHN CC(C)[C@@H](C(=O)OCCc1cn[nH]n1)N(C)C ZINC000798833936 586150549 /nfs/dbraw/zinc/15/05/49/586150549.db2.gz PWOOXDLQFLOCME-JTQLQIEISA-N 0 3 240.307 0.477 20 0 BCADHN CC(C)[C@@H](C(=O)OCCc1c[nH]nn1)N(C)C ZINC000798833936 586150550 /nfs/dbraw/zinc/15/05/50/586150550.db2.gz PWOOXDLQFLOCME-JTQLQIEISA-N 0 3 240.307 0.477 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)c1cnnn1C ZINC000798966671 586154468 /nfs/dbraw/zinc/15/44/68/586154468.db2.gz GYJVUJNOPHYZHA-SECBINFHSA-N 0 3 239.323 0.131 20 0 BCADHN CC[C@@H](C)CN(C)[C@H]1CCC(=O)NC1=O ZINC000799122350 586158921 /nfs/dbraw/zinc/15/89/21/586158921.db2.gz FSHBKHPDYBZUAZ-BDAKNGLRSA-N 0 3 212.293 0.770 20 0 BCADHN COCC1CCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799122146 586159112 /nfs/dbraw/zinc/15/91/12/586159112.db2.gz QPWRJPRRQYRTCQ-SNVBAGLBSA-N 0 3 240.303 0.150 20 0 BCADHN C[C@@H]1CCN([C@H]2CCC(=O)NC2=O)[C@H]1C ZINC000799125530 586159974 /nfs/dbraw/zinc/15/99/74/586159974.db2.gz OUUUHSMGQSDIEZ-VGMNWLOBSA-N 0 3 210.277 0.522 20 0 BCADHN C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC000799126121 586160895 /nfs/dbraw/zinc/16/08/95/586160895.db2.gz YFNXBOKUPOTEHA-IWSPIJDZSA-N 0 3 210.277 0.379 20 0 BCADHN C[C@@H]1CCN([C@@H]2CCC(=O)NC2=O)CCS1 ZINC000799168284 586160919 /nfs/dbraw/zinc/16/09/19/586160919.db2.gz IVEICKOKONHHMU-RKDXNWHRSA-N 0 3 242.344 0.619 20 0 BCADHN CC[C@]1(C)CCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000799128381 586161147 /nfs/dbraw/zinc/16/11/47/586161147.db2.gz PUTGNCRXHPRAAG-BXKDBHETSA-N 0 3 224.304 0.914 20 0 BCADHN CCN1CCN(CCC(=O)N(C)OC)C[C@H]1C ZINC000799145412 586161747 /nfs/dbraw/zinc/16/17/47/586161747.db2.gz WHNQJFNKBLSIRM-LLVKDONJSA-N 0 3 243.351 0.422 20 0 BCADHN COC1(C)CCN([C@H]2CCC(=O)NC2=O)CC1 ZINC000799158753 586163239 /nfs/dbraw/zinc/16/32/39/586163239.db2.gz RQLICRCLSDLVQC-VIFPVBQESA-N 0 3 240.303 0.293 20 0 BCADHN CON(C)C(=O)CCN1CCN(C)[C@@H](C)[C@H]1C ZINC000799151379 586163328 /nfs/dbraw/zinc/16/33/28/586163328.db2.gz XITYJJVLZQWUDW-WDEREUQCSA-N 0 3 243.351 0.421 20 0 BCADHN CO[C@]1(C)CCCN([C@H]2CCC(=O)NC2=O)C1 ZINC000799168910 586164542 /nfs/dbraw/zinc/16/45/42/586164542.db2.gz YVVRUPZCEXBLOH-JOYOIKCWSA-N 0 3 240.303 0.293 20 0 BCADHN CC1=C(C)CN([C@H]2CCC(=O)NC2=O)CC1 ZINC000799169686 586164810 /nfs/dbraw/zinc/16/48/10/586164810.db2.gz NOEKXLHRPCCNBM-JTQLQIEISA-N 0 3 222.288 0.834 20 0 BCADHN C[C@@]1(O)CCN(C[C@H](O)c2ccc(F)cn2)C1 ZINC000799305917 586170491 /nfs/dbraw/zinc/17/04/91/586170491.db2.gz OLWSEHUNMUQXFL-NWDGAFQWSA-N 0 3 240.278 0.711 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C[C@H](O)c1ccc(F)cn1 ZINC000799310995 586171411 /nfs/dbraw/zinc/17/14/11/586171411.db2.gz PCRGOZJCNIJJHG-UISBYWKRSA-N 0 3 240.278 0.709 20 0 BCADHN CN(CCOCCO)C[C@@H]1CCC=CO1 ZINC000800545068 586224995 /nfs/dbraw/zinc/22/49/95/586224995.db2.gz JGMWAONNRGVAOE-NSHDSACASA-N 0 3 215.293 0.620 20 0 BCADHN C(CN1C[C@@H]2COC[C@H](C1)O2)N1CCCC1 ZINC000801589447 586264923 /nfs/dbraw/zinc/26/49/23/586264923.db2.gz PJQZRMZEYQZVRU-TXEJJXNPSA-N 0 3 226.320 0.182 20 0 BCADHN O=C(OCCCO)C1CCN(C2CC2)CC1 ZINC000801870978 586275839 /nfs/dbraw/zinc/27/58/39/586275839.db2.gz KYDNSQNAWXZEJX-UHFFFAOYSA-N 0 3 227.304 0.786 20 0 BCADHN CCC(=O)CCN1CC[C@](OC)(C(=O)OC)C1 ZINC000859557706 589045125 /nfs/dbraw/zinc/04/51/25/589045125.db2.gz VQKZNIVGEVOINM-GFCCVEGCSA-N 0 3 243.303 0.620 20 0 BCADHN C[C@@H](O)CN[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000843106655 586384990 /nfs/dbraw/zinc/38/49/90/586384990.db2.gz KPNPAMZYSVEUGV-RAIGVLPGSA-N 0 3 239.315 0.441 20 0 BCADHN CC(C)[C@H](CO)CNC(=S)NCCN(C)C ZINC000806589256 586415129 /nfs/dbraw/zinc/41/51/29/586415129.db2.gz LZHYPANTZSWGHZ-JTQLQIEISA-N 0 3 247.408 0.277 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CCC=CO1 ZINC000807153777 586424496 /nfs/dbraw/zinc/42/44/96/586424496.db2.gz BHQJCIRILKQZEW-QWRGUYRKSA-N 0 3 241.335 0.928 20 0 BCADHN CNC(=O)[C@H](O)CNc1ccnc2ccccc21 ZINC000808048552 586460434 /nfs/dbraw/zinc/46/04/34/586460434.db2.gz XWCFMZXOMQXWAR-GFCCVEGCSA-N 0 3 245.282 0.176 20 0 BCADHN CNC(=O)[C@@H](O)CNc1ccnc2ccccc21 ZINC000808048553 586460457 /nfs/dbraw/zinc/46/04/57/586460457.db2.gz XWCFMZXOMQXWAR-LBPRGKRZSA-N 0 3 245.282 0.176 20 0 BCADHN CC(C)=CC(=O)N[C@@H](CO)CN1CCCCC1 ZINC000808080630 586461391 /nfs/dbraw/zinc/46/13/91/586461391.db2.gz MJTBPPFUYOLOFN-GFCCVEGCSA-N 0 3 240.347 0.916 20 0 BCADHN COC(OC)[C@@H](C)NC(=O)CN(C)C(C)C ZINC000808152973 586464898 /nfs/dbraw/zinc/46/48/98/586464898.db2.gz BPIYBWKSGCTSAT-SECBINFHSA-N 0 3 232.324 0.450 20 0 BCADHN CC(C)=CC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000808159171 586465487 /nfs/dbraw/zinc/46/54/87/586465487.db2.gz FUTIRYOTHJZTNJ-NEPJUHHUSA-N 0 3 238.331 0.620 20 0 BCADHN CC(C)=CC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000808159174 586465631 /nfs/dbraw/zinc/46/56/31/586465631.db2.gz FUTIRYOTHJZTNJ-VXGBXAGGSA-N 0 3 238.331 0.620 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C=C1CCCCC1 ZINC000808169463 586466169 /nfs/dbraw/zinc/46/61/69/586466169.db2.gz AXBGLGIAPXVZOE-GFCCVEGCSA-N 0 3 240.347 0.916 20 0 BCADHN COCCCN(C)CCNCc1cn(C)cn1 ZINC000808390731 586470632 /nfs/dbraw/zinc/47/06/32/586470632.db2.gz BEQNHBUUCLSFKV-UHFFFAOYSA-N 0 3 240.351 0.478 20 0 BCADHN CCN1CCN(CCNC(=O)C(C)(F)F)CC1 ZINC000808455474 586473055 /nfs/dbraw/zinc/47/30/55/586473055.db2.gz BFDFRXXIIUBCMV-UHFFFAOYSA-N 0 3 249.305 0.395 20 0 BCADHN CCN(CCO)CCNC(=O)C(C)(F)F ZINC000808467200 586475097 /nfs/dbraw/zinc/47/50/97/586475097.db2.gz VDSFOXAQPJERKJ-UHFFFAOYSA-N 0 3 224.251 0.072 20 0 BCADHN CCN(CCOCCO)CCC(=O)C(C)C ZINC000808756698 586488754 /nfs/dbraw/zinc/48/87/54/586488754.db2.gz SYGPVTIGLBNDMT-UHFFFAOYSA-N 0 3 231.336 0.932 20 0 BCADHN CCOC(=O)COCCN1CCOCC[C@@H]1C ZINC000809973243 586527165 /nfs/dbraw/zinc/52/71/65/586527165.db2.gz VSFPGCPZDSXDPF-NSHDSACASA-N 0 3 245.319 0.677 20 0 BCADHN CCN(CC)CCOC(=O)c1cn(C)cn1 ZINC000811225454 586557170 /nfs/dbraw/zinc/55/71/70/586557170.db2.gz RNVOCZNCNYLNQR-UHFFFAOYSA-N 0 3 225.292 0.919 20 0 BCADHN CC[C@H](CNC(=S)NCCN(C)C)OC ZINC000811717569 586566092 /nfs/dbraw/zinc/56/60/92/586566092.db2.gz NKTBMJXXQRVVHY-SECBINFHSA-N 0 3 233.381 0.437 20 0 BCADHN CONC(=O)NCC1(SC)CCN(C)CC1 ZINC000811940846 586568824 /nfs/dbraw/zinc/56/88/24/586568824.db2.gz UREXTUMTXOOAFP-UHFFFAOYSA-N 0 3 247.364 0.674 20 0 BCADHN C[N@@H+]1CC[C@H](C(=O)[N-]OC/C=C\Cl)C1 ZINC000812403258 586575909 /nfs/dbraw/zinc/57/59/09/586575909.db2.gz PRNPKMYXVOHUIQ-LTMVXPGCSA-N 0 3 218.684 0.738 20 0 BCADHN C[N@H+]1CC[C@H](C(=O)[N-]OC/C=C\Cl)C1 ZINC000812403258 586575910 /nfs/dbraw/zinc/57/59/10/586575910.db2.gz PRNPKMYXVOHUIQ-LTMVXPGCSA-N 0 3 218.684 0.738 20 0 BCADHN C[N@@H+]1CC[C@H](C(=O)[N-]OC/C=C/Cl)C1 ZINC000812403257 586576082 /nfs/dbraw/zinc/57/60/82/586576082.db2.gz PRNPKMYXVOHUIQ-KHVHVRLGSA-N 0 3 218.684 0.738 20 0 BCADHN C[N@H+]1CC[C@H](C(=O)[N-]OC/C=C/Cl)C1 ZINC000812403257 586576083 /nfs/dbraw/zinc/57/60/83/586576083.db2.gz PRNPKMYXVOHUIQ-KHVHVRLGSA-N 0 3 218.684 0.738 20 0 BCADHN CC1(C)OCC(CO)(NC[C@H]2CCCO2)CO1 ZINC000812837675 586587810 /nfs/dbraw/zinc/58/78/10/586587810.db2.gz IDWBCNHQNVTVNM-SNVBAGLBSA-N 0 3 245.319 0.269 20 0 BCADHN CO[C@@H](C)CN1CCC(C(=O)N(C)OC)CC1 ZINC000812870078 586588333 /nfs/dbraw/zinc/58/83/33/586588333.db2.gz VVILMISJLGLDLX-JTQLQIEISA-N 0 3 244.335 0.753 20 0 BCADHN Cc1ccc(N2C(=O)N[C@H](CN(C)C)C2=O)cc1 ZINC000813355190 586601044 /nfs/dbraw/zinc/60/10/44/586601044.db2.gz DFKUBMYWGBICSC-LLVKDONJSA-N 0 3 247.298 0.981 20 0 BCADHN COCCCO[N-]C(=O)CC1CC[NH+](C)CC1 ZINC000813611566 586604384 /nfs/dbraw/zinc/60/43/84/586604384.db2.gz XHRLWEVUVDXNOG-UHFFFAOYSA-N 0 3 244.335 0.803 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C2=COCCO2)C1 ZINC000814145020 586614729 /nfs/dbraw/zinc/61/47/29/586614729.db2.gz JZLJWKYBNQNLBZ-UWVGGRQHSA-N 0 3 238.287 0.037 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccnnc3)[C@H]2C1 ZINC000814146931 586614845 /nfs/dbraw/zinc/61/48/45/586614845.db2.gz VLMWUSSCILAJBE-MNOVXSKESA-N 0 3 232.287 0.253 20 0 BCADHN Cc1cc(NC[C@@]2(C)CCC(=O)N2)nc(N)n1 ZINC000840314417 586614935 /nfs/dbraw/zinc/61/49/35/586614935.db2.gz GVKQDNMHHBLLFX-LLVKDONJSA-N 0 3 235.291 0.448 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(Cc3ccn(C)c3)C[C@@H]21 ZINC000814173271 586615622 /nfs/dbraw/zinc/61/56/22/586615622.db2.gz LVQHBQCBWMWWSD-GDNZZTSVSA-N 0 3 234.299 0.876 20 0 BCADHN CN(C)CCNC(=O)Cc1cn(C)nc1Cl ZINC000814360267 586621352 /nfs/dbraw/zinc/62/13/52/586621352.db2.gz GKSHTBPYWANGNG-UHFFFAOYSA-N 0 3 244.726 0.294 20 0 BCADHN COC(CN(CCCO)C[C@H](O)C(C)C)OC ZINC000814631306 586627079 /nfs/dbraw/zinc/62/70/79/586627079.db2.gz XLNDEXMEKVCBNI-NSHDSACASA-N 0 3 249.351 0.307 20 0 BCADHN CN(C)CCN1CCN(C(=O)C(C)(F)F)CC1 ZINC000814803390 586633464 /nfs/dbraw/zinc/63/34/64/586633464.db2.gz FIQZDWNICLAFMX-UHFFFAOYSA-N 0 3 249.305 0.347 20 0 BCADHN CC[C@H](CNCc1cnn(C)n1)N1CCCC1 ZINC000815113874 586667153 /nfs/dbraw/zinc/66/71/53/586667153.db2.gz GCXIUFVLQRUQKJ-GFCCVEGCSA-N 0 3 237.351 0.779 20 0 BCADHN Cn1ncc(CN[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1 ZINC000815130077 586668604 /nfs/dbraw/zinc/66/86/04/586668604.db2.gz QTNACTQUUDPWRA-UTUOFQBUSA-N 0 3 236.319 0.862 20 0 BCADHN Cn1ncc(CN[C@H]2CCc3nc[nH]c3C2)n1 ZINC000815140533 586669342 /nfs/dbraw/zinc/66/93/42/586669342.db2.gz AJULOUFDKLIHLT-QMMMGPOBSA-N 0 3 232.291 0.185 20 0 BCADHN Cn1ncc(CN[C@H]2CCc3[nH]cnc3C2)n1 ZINC000815140533 586669343 /nfs/dbraw/zinc/66/93/43/586669343.db2.gz AJULOUFDKLIHLT-QMMMGPOBSA-N 0 3 232.291 0.185 20 0 BCADHN CCN(C[C@H]1CC2(CC2)C(=O)O1)[C@@H](C)CO ZINC000815184259 586673076 /nfs/dbraw/zinc/67/30/76/586673076.db2.gz UALDWBNCOPFHAY-VHSXEESVSA-N 0 3 227.304 0.785 20 0 BCADHN CN(C)CCCOC(=O)c1cc(C=O)c[nH]1 ZINC000815253614 586675893 /nfs/dbraw/zinc/67/58/93/586675893.db2.gz WFXHIYADBPLOQQ-UHFFFAOYSA-N 0 3 224.260 0.936 20 0 BCADHN OC[C@H]1CCCN(CC2OCCO2)CC1 ZINC000815275042 586676923 /nfs/dbraw/zinc/67/69/23/586676923.db2.gz PEQPTPURNRAQCX-JTQLQIEISA-N 0 3 215.293 0.454 20 0 BCADHN CN1CCCC[C@@H]1CCC(=O)O[C@H]1CNOC1 ZINC000816573812 586741600 /nfs/dbraw/zinc/74/16/00/586741600.db2.gz LXFYEXLKJFXAQW-MNOVXSKESA-N 0 3 242.319 0.698 20 0 BCADHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)C(F)F ZINC000816750526 586760980 /nfs/dbraw/zinc/76/09/80/586760980.db2.gz NSCLKPFCNBFGPZ-RKDXNWHRSA-N 0 3 248.273 0.573 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@@H]1CCC(=O)NC1=O ZINC000859829963 589064259 /nfs/dbraw/zinc/06/42/59/589064259.db2.gz WZDBFLHDCRNRQW-CQKCGHAMSA-N 0 3 240.303 0.193 20 0 BCADHN CO[N-]C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000816846099 586768059 /nfs/dbraw/zinc/76/80/59/586768059.db2.gz OFBRKYQUMREVRK-SNVBAGLBSA-N 0 3 244.360 0.882 20 0 BCADHN CCn1ncc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)n1 ZINC000816952155 586773280 /nfs/dbraw/zinc/77/32/80/586773280.db2.gz DPFUAANXZCOWJF-GXSJLCMTSA-N 0 3 249.318 0.074 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(F)nc2)C1 ZINC000816952856 586773803 /nfs/dbraw/zinc/77/38/03/586773803.db2.gz SWSOVFHGKLWGFG-QWRGUYRKSA-N 0 3 249.289 0.997 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC=CO3)[C@@H]2C1 ZINC000816951792 586773880 /nfs/dbraw/zinc/77/38/80/586773880.db2.gz WKAWLUYZMRWVPB-TUAOUCFPSA-N 0 3 236.315 0.842 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ncccn2)C1 ZINC000816952295 586773936 /nfs/dbraw/zinc/77/39/36/586773936.db2.gz HGBWRUSSFXRJFI-UWVGGRQHSA-N 0 3 232.287 0.253 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3ccc(F)nc3)[C@@H]2C1 ZINC000816952854 586773965 /nfs/dbraw/zinc/77/39/65/586773965.db2.gz SWSOVFHGKLWGFG-GHMZBOCLSA-N 0 3 249.289 0.997 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@H](O)C(C)(C)C)C1 ZINC000816949139 586773986 /nfs/dbraw/zinc/77/39/86/586773986.db2.gz PBXNTBZCEHEIRH-DCAQKATOSA-N 0 3 240.347 0.556 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C(C)(C)F)[C@H]2C1 ZINC000816954819 586774190 /nfs/dbraw/zinc/77/41/90/586774190.db2.gz LUHDXMGVXTXPAY-BDAKNGLRSA-N 0 3 214.284 0.897 20 0 BCADHN CCONC(=O)N(C)C[C@H]1CCCN1C ZINC000817153561 586784548 /nfs/dbraw/zinc/78/45/48/586784548.db2.gz FZBWGXHSIDVSGY-SECBINFHSA-N 0 3 215.297 0.674 20 0 BCADHN CN(C[C@H]1CCCN1C)[C@H]1CCOC1=O ZINC000817289609 586792687 /nfs/dbraw/zinc/79/26/87/586792687.db2.gz ABMRRFUEGSYKSD-ZJUUUORDSA-N 0 3 212.293 0.328 20 0 BCADHN c1cc(CN[C@H]2CCc3nnnn3CC2)co1 ZINC000817418920 586803275 /nfs/dbraw/zinc/80/32/75/586803275.db2.gz LBQYWLFTAPHLHU-JTQLQIEISA-N 0 3 233.275 0.761 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@@H](N)C1CCC1 ZINC000817937393 586844691 /nfs/dbraw/zinc/84/46/91/586844691.db2.gz ZHHLIMVWLKYUCP-NSHDSACASA-N 0 3 242.319 0.573 20 0 BCADHN OC[C@]12CCC[C@H]1CN(CC1OCCO1)C2 ZINC000859925161 589070888 /nfs/dbraw/zinc/07/08/88/589070888.db2.gz WNPWJPHHXMGSHB-CMPLNLGQSA-N 0 3 227.304 0.454 20 0 BCADHN C[C@@H](CC(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000818012748 586864434 /nfs/dbraw/zinc/86/44/34/586864434.db2.gz XGHZZSCKKFNYIV-ONGXEEELSA-N 0 3 226.320 0.527 20 0 BCADHN C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000818020882 586864949 /nfs/dbraw/zinc/86/49/49/586864949.db2.gz AJBIZDAKOCVPJA-KWQFWETISA-N 0 3 249.314 0.845 20 0 BCADHN C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)[C@@H]1C[C@@H]1N ZINC000818141366 586876489 /nfs/dbraw/zinc/87/64/89/586876489.db2.gz NIDJFKXMMWIAQC-ZBAXXZLZSA-N 0 3 248.326 0.962 20 0 BCADHN CS[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000818144929 586877353 /nfs/dbraw/zinc/87/73/53/586877353.db2.gz CZMVWFNEXWVIEP-XAVMHZPKSA-N 0 3 214.334 0.734 20 0 BCADHN CS[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000818144927 586877520 /nfs/dbraw/zinc/87/75/20/586877520.db2.gz CZMVWFNEXWVIEP-KDXUFGMBSA-N 0 3 214.334 0.734 20 0 BCADHN CC[C@@](C)(CC(=O)OC)NC(=O)[C@@H]1C[C@@H]1N ZINC000818153326 586877523 /nfs/dbraw/zinc/87/75/23/586877523.db2.gz KGUQLIJFHDSBIJ-FYBVGQRMSA-N 0 3 228.292 0.182 20 0 BCADHN NC1(C(=O)NC[C@@H]2COc3ccccc3C2)CC1 ZINC000818471317 586893700 /nfs/dbraw/zinc/89/37/00/586893700.db2.gz RMYDJEUUPQTNRO-SNVBAGLBSA-N 0 3 246.310 0.845 20 0 BCADHN CCNCC(=O)NCCc1c(C)noc1C ZINC000818487051 586894310 /nfs/dbraw/zinc/89/43/10/586894310.db2.gz NYBRBAIKJIKDDO-UHFFFAOYSA-N 0 3 225.292 0.560 20 0 BCADHN CCNC(=O)c1ccccc1NC(=O)[C@H]1CCN1 ZINC000818499710 586894930 /nfs/dbraw/zinc/89/49/30/586894930.db2.gz CUVOTOOYHULNOW-LLVKDONJSA-N 0 3 247.298 0.737 20 0 BCADHN CCC[C@@H](O)[C@@H](CO)Nc1cc(C)nc(N)n1 ZINC000840361072 586895740 /nfs/dbraw/zinc/89/57/40/586895740.db2.gz RFBPYJYENBZMEX-RKDXNWHRSA-N 0 3 240.307 0.301 20 0 BCADHN CCNCC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000818501660 586896143 /nfs/dbraw/zinc/89/61/43/586896143.db2.gz GGRSZRFHOXDVRD-IEBDPFPHSA-N 0 3 226.320 0.526 20 0 BCADHN COc1cc(NC(=O)[C@H]2CCN2)ccc1N ZINC000818559390 586900714 /nfs/dbraw/zinc/90/07/14/586900714.db2.gz WRMGEQWRYHPYMG-SECBINFHSA-N 0 3 221.260 0.578 20 0 BCADHN CCNCC(=O)NC[C@@H]1CCC[C@H]1OC ZINC000818608855 586904781 /nfs/dbraw/zinc/90/47/81/586904781.db2.gz FBIUULQCEJRHKD-VHSXEESVSA-N 0 3 214.309 0.527 20 0 BCADHN CCNCC(=O)Nc1ccn([C@@H](C)COC)n1 ZINC000818607237 586905252 /nfs/dbraw/zinc/90/52/52/586905252.db2.gz DOUYFHGAZKLVGR-VIFPVBQESA-N 0 3 240.307 0.639 20 0 BCADHN CCNCC(=O)N1CC[C@](C)(C(=O)OC)C1 ZINC000818607649 586905812 /nfs/dbraw/zinc/90/58/12/586905812.db2.gz OWXMSVLUHVSVPB-NSHDSACASA-N 0 3 228.292 0.008 20 0 BCADHN CCNCC(=O)N[C@@](CC)(C(N)=O)C(C)C ZINC000818608045 586906120 /nfs/dbraw/zinc/90/61/20/586906120.db2.gz YTLPONNFFABXEF-LLVKDONJSA-N 0 3 229.324 0.002 20 0 BCADHN O=C(C=C1CCC1)NC[C@@H]1CNCCO1 ZINC000818612832 586906954 /nfs/dbraw/zinc/90/69/54/586906954.db2.gz ZMEPDMISZPPFNI-JTQLQIEISA-N 0 3 210.277 0.201 20 0 BCADHN C[C@H](O)CNCC(=O)Nc1ccc(F)c(F)c1 ZINC000818950204 586917347 /nfs/dbraw/zinc/91/73/47/586917347.db2.gz QIYHNMIEBRCTNW-ZETCQYMHSA-N 0 3 244.241 0.874 20 0 BCADHN CS(=O)(=O)CCNC[C@@H](O)C1CCCCC1 ZINC000818963442 586918006 /nfs/dbraw/zinc/91/80/06/586918006.db2.gz UHWMRLCBAJDUQX-LLVKDONJSA-N 0 3 249.376 0.562 20 0 BCADHN CCOCC[C@@H](O)CNCC(=O)N(CC)CC ZINC000818975221 586919386 /nfs/dbraw/zinc/91/93/86/586919386.db2.gz KYHVIUOMTUIDIW-LLVKDONJSA-N 0 3 246.351 0.232 20 0 BCADHN C[C@@H](Cn1cncn1)NC[C@H](O)c1ccccc1 ZINC000818980181 586920049 /nfs/dbraw/zinc/92/00/49/586920049.db2.gz AHFZJZIZTFPMGA-AAEUAGOBSA-N 0 3 246.314 0.990 20 0 BCADHN Cc1ccccc1[C@H](O)CNCC[S@@](C)=O ZINC000819032150 586925505 /nfs/dbraw/zinc/92/55/05/586925505.db2.gz CHWYJSMHLGTOCO-MLGOLLRUSA-N 0 3 241.356 0.997 20 0 BCADHN CCc1cc(CNC[C@@H](O)COC)n[nH]1 ZINC000819053204 586927615 /nfs/dbraw/zinc/92/76/15/586927615.db2.gz HLHSHKRVXNXSPU-SNVBAGLBSA-N 0 3 213.281 0.069 20 0 BCADHN CCc1cc(CNC[C@@H](O)COC)[nH]n1 ZINC000819053204 586927616 /nfs/dbraw/zinc/92/76/16/586927616.db2.gz HLHSHKRVXNXSPU-SNVBAGLBSA-N 0 3 213.281 0.069 20 0 BCADHN Cc1ncc2c(n1)CCC[C@H]2NCCC(N)=O ZINC000819079975 586929603 /nfs/dbraw/zinc/92/96/03/586929603.db2.gz CTHLEESJPSMFGU-SNVBAGLBSA-N 0 3 234.303 0.627 20 0 BCADHN Cc1ccccc1[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC000819089691 586930134 /nfs/dbraw/zinc/93/01/34/586930134.db2.gz MOEXHMYHHFLGEQ-STQMWFEESA-N 0 3 248.326 0.849 20 0 BCADHN C[C@@H](CNCCS(C)(=O)=O)c1ccncc1 ZINC000819132537 586932545 /nfs/dbraw/zinc/93/25/45/586932545.db2.gz FHHCNNIVYNNPIK-JTQLQIEISA-N 0 3 242.344 0.819 20 0 BCADHN COCCOC[C@@H](O)CN[C@@H](C)c1ccc[nH]1 ZINC000819193857 586937115 /nfs/dbraw/zinc/93/71/15/586937115.db2.gz LVJZYWLDNNXNSO-QWRGUYRKSA-N 0 3 242.319 0.689 20 0 BCADHN COCCOC[C@@H](O)CN[C@H](C)c1ccc[nH]1 ZINC000819193856 586937290 /nfs/dbraw/zinc/93/72/90/586937290.db2.gz LVJZYWLDNNXNSO-MNOVXSKESA-N 0 3 242.319 0.689 20 0 BCADHN C[C@H](NC[C@H](O)Cn1cccn1)c1ccc[nH]1 ZINC000819193385 586937383 /nfs/dbraw/zinc/93/73/83/586937383.db2.gz GFIWKHQXVWKDIH-QWRGUYRKSA-N 0 3 234.303 0.923 20 0 BCADHN Cc1cc(CNC[C@@H](O)C2CC2)ncn1 ZINC000819189553 586937610 /nfs/dbraw/zinc/93/76/10/586937610.db2.gz UWEXWFLVSKIGNE-LLVKDONJSA-N 0 3 207.277 0.646 20 0 BCADHN CCS(=O)(=O)CCN[C@@H]1CCC[C@H]1CCO ZINC000819247522 586940467 /nfs/dbraw/zinc/94/04/67/586940467.db2.gz MYDXUXDVIYSLFK-WDEREUQCSA-N 0 3 249.376 0.562 20 0 BCADHN CS(=O)(=O)CCN[C@H]1CCC[C@H]1CCO ZINC000819248315 586943483 /nfs/dbraw/zinc/94/34/83/586943483.db2.gz WUJIJESSLFGGNN-UWVGGRQHSA-N 0 3 235.349 0.172 20 0 BCADHN CN(C[C@H](O)CNOC/C=C/Cl)C1CC1 ZINC000819324500 586951550 /nfs/dbraw/zinc/95/15/50/586951550.db2.gz PTLCKYRQAIXZFG-JYBNPQIESA-N 0 3 234.727 0.715 20 0 BCADHN CS(=O)(=O)CCN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000819271925 586945853 /nfs/dbraw/zinc/94/58/53/586945853.db2.gz XWJPPGNKQHAPJX-AYMMMOKOSA-N 0 3 203.307 0.419 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)/C=C\[C@@H]1CCCO1 ZINC000819281489 586947986 /nfs/dbraw/zinc/94/79/86/586947986.db2.gz VDCZLYXJQKPSCQ-PBWNMSGQSA-N 0 3 238.331 0.932 20 0 BCADHN CN(C[C@H](O)CNOC/C=C\Cl)C1CC1 ZINC000819324502 586951385 /nfs/dbraw/zinc/95/13/85/586951385.db2.gz PTLCKYRQAIXZFG-XJIUSYNZSA-N 0 3 234.727 0.715 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1CC[C@H](O)CC1 ZINC000819374336 586958318 /nfs/dbraw/zinc/95/83/18/586958318.db2.gz KYKFKYDBWVMVIK-MGCOHNPYSA-N 0 3 235.349 0.314 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)/C=C\[C@@H]1CCCO1 ZINC000819533276 586974364 /nfs/dbraw/zinc/97/43/64/586974364.db2.gz IGTAGRKSVDTWRH-TWHAFNCTSA-N 0 3 226.320 0.788 20 0 BCADHN CN(C)CCONC(=O)/C=C/[C@@H]1CCCO1 ZINC000819546308 586976587 /nfs/dbraw/zinc/97/65/87/586976587.db2.gz UHWMYYBGVCXXAP-PORFMDCZSA-N 0 3 228.292 0.331 20 0 BCADHN C[C@@H]1C[C@H](CO)CCN1C[C@H]1CCC(=O)O1 ZINC000860092242 589080725 /nfs/dbraw/zinc/08/07/25/589080725.db2.gz ZCOVJQSYCYVILT-GMTAPVOTSA-N 0 3 227.304 0.785 20 0 BCADHN O[C@@H]1CC[C@H]2CCN(CC3OCCO3)[C@@H]12 ZINC000860131022 589081296 /nfs/dbraw/zinc/08/12/96/589081296.db2.gz OEYJPFZAXAEVFL-IQJOONFLSA-N 0 3 213.277 0.205 20 0 BCADHN CC(=O)CCN1CCCC[C@@H]1CNC(C)=O ZINC000860172924 589082236 /nfs/dbraw/zinc/08/22/36/589082236.db2.gz QSDNLFCVMJZBPK-GFCCVEGCSA-N 0 3 226.320 0.956 20 0 BCADHN COC(OC)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000820233767 587036925 /nfs/dbraw/zinc/03/69/25/587036925.db2.gz UUDNNBJYSAQNHW-ZJUUUORDSA-N 0 3 244.335 0.404 20 0 BCADHN CC[C@@](C)(O)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000820341360 587044053 /nfs/dbraw/zinc/04/40/53/587044053.db2.gz CLASDFDTTOJYFS-CHWSQXEVSA-N 0 3 240.347 0.702 20 0 BCADHN CN(C)CCN(C)C(=O)c1cc(Cl)no1 ZINC000820525690 587052618 /nfs/dbraw/zinc/05/26/18/587052618.db2.gz IKXXSPRJXHLHFB-UHFFFAOYSA-N 0 3 231.683 0.962 20 0 BCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)[O-] ZINC000820535201 587052914 /nfs/dbraw/zinc/05/29/14/587052914.db2.gz IRQFMJQABJXDBA-OUAUKWLOSA-N 0 3 242.319 0.255 20 0 BCADHN CCN(CC)CCN[C@@H](C)c1cnnn1C ZINC000820805499 587073410 /nfs/dbraw/zinc/07/34/10/587073410.db2.gz KVZPILHZUZLCIZ-JTQLQIEISA-N 0 3 225.340 0.808 20 0 BCADHN C[C@@H](NCCN1CCCCC1)c1cnnn1C ZINC000820806193 587073424 /nfs/dbraw/zinc/07/34/24/587073424.db2.gz BZCUTLSGTKCKMN-LLVKDONJSA-N 0 3 237.351 0.952 20 0 BCADHN COc1cc([C@@H](C)NC[C@H](O)CN(C)C)on1 ZINC000820810555 587073978 /nfs/dbraw/zinc/07/39/78/587073978.db2.gz ZCCWUVWMNIBOJN-BDAKNGLRSA-N 0 3 243.307 0.256 20 0 BCADHN C[C@@H](NC[C@]1(O)CCSC1)c1cnnn1C ZINC000820812187 587074287 /nfs/dbraw/zinc/07/42/87/587074287.db2.gz FMUAXAGYQATZTD-PSASIEDQSA-N 0 3 242.348 0.334 20 0 BCADHN CNC(=O)C(C)(C)CN[C@H](C)c1cnnn1C ZINC000820829288 587075475 /nfs/dbraw/zinc/07/54/75/587075475.db2.gz HHJHIJFYRLAHOZ-MRVPVSSYSA-N 0 3 239.323 0.238 20 0 BCADHN Nc1cc(CN2C[C@@H]3COC(=O)[C@@H]3C2)ccn1 ZINC000860165217 589084367 /nfs/dbraw/zinc/08/43/67/589084367.db2.gz UGPHCFWFNJVNAH-NXEZZACHSA-N 0 3 233.271 0.269 20 0 BCADHN CN(C)CCONC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000820990426 587086444 /nfs/dbraw/zinc/08/64/44/587086444.db2.gz PZNCFYRYANQCSN-CSPFCNMYSA-N 0 3 238.331 0.888 20 0 BCADHN Cc1ncccc1CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166783 589084935 /nfs/dbraw/zinc/08/49/35/589084935.db2.gz UICRUIIJHHZLEX-VXGBXAGGSA-N 0 3 232.283 0.995 20 0 BCADHN O=C1OC[C@H]2CN(CCOCC(F)F)C[C@@H]12 ZINC000860165163 589085074 /nfs/dbraw/zinc/08/50/74/589085074.db2.gz SEIBGOHUNXDIBL-HTQZYQBOSA-N 0 3 235.230 0.373 20 0 BCADHN Nc1ncccc1CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166667 589085222 /nfs/dbraw/zinc/08/52/22/589085222.db2.gz QEDKMALURAHPOJ-NXEZZACHSA-N 0 3 233.271 0.269 20 0 BCADHN C[N@@H+]1CC[C@H](CC(=O)[N-]OCc2cccnc2)C1 ZINC000821144371 587098593 /nfs/dbraw/zinc/09/85/93/587098593.db2.gz UBIVXJKCSYBPMT-LLVKDONJSA-N 0 3 249.314 0.971 20 0 BCADHN C[N@H+]1CC[C@H](CC(=O)[N-]OCc2cccnc2)C1 ZINC000821144371 587098595 /nfs/dbraw/zinc/09/85/95/587098595.db2.gz UBIVXJKCSYBPMT-LLVKDONJSA-N 0 3 249.314 0.971 20 0 BCADHN CC[C@H](C(=O)N1CCOCC[C@@H]1C)N(C)C ZINC000840411710 587099587 /nfs/dbraw/zinc/09/95/87/587099587.db2.gz VYDFXFRLNYNQLO-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1C(=O)OCC1(C)C)N(C)C ZINC000840457000 587105257 /nfs/dbraw/zinc/10/52/57/587105257.db2.gz MULFUZDZRZEIAT-RKDXNWHRSA-N 0 3 242.319 0.394 20 0 BCADHN CN(CCC1OCCO1)[C@H]1CCC(=O)N(C)C1 ZINC000821323010 587107524 /nfs/dbraw/zinc/10/75/24/587107524.db2.gz PNPFZWFIECVKCP-JTQLQIEISA-N 0 3 242.319 0.302 20 0 BCADHN COCC1(NCC(OC)OC)CCOCC1 ZINC000821332471 587108207 /nfs/dbraw/zinc/10/82/07/587108207.db2.gz PYIQQKLXIRCVKR-UHFFFAOYSA-N 0 3 233.308 0.391 20 0 BCADHN Cc1ccc(CN2C[C@@H]3COC(=O)[C@@H]3C2)cn1 ZINC000860167711 589085899 /nfs/dbraw/zinc/08/58/99/589085899.db2.gz NFMKPHPGHBVEFA-VXGBXAGGSA-N 0 3 232.283 0.995 20 0 BCADHN CC(C)N(CCO)C[C@@H]1CCC(=O)O1 ZINC000821362508 587111627 /nfs/dbraw/zinc/11/16/27/587111627.db2.gz KEMOJAGQBZRNBZ-VIFPVBQESA-N 0 3 201.266 0.395 20 0 BCADHN C[C@H](O)C1CCN(C[C@H]2CCC(=O)O2)CC1 ZINC000821375459 587113575 /nfs/dbraw/zinc/11/35/75/587113575.db2.gz YHNRXUMJRRHEMI-GXSJLCMTSA-N 0 3 227.304 0.785 20 0 BCADHN C[C@@]1(O)CCCN(C[C@@H]2CCC(=O)O2)C1 ZINC000821402157 587116938 /nfs/dbraw/zinc/11/69/38/587116938.db2.gz NLRZTQWIQSBBTF-GXSJLCMTSA-N 0 3 213.277 0.539 20 0 BCADHN CN(CC[NH+](C)C)c1ccc(-c2nnn[n-]2)nc1 ZINC000821585955 587130560 /nfs/dbraw/zinc/13/05/60/587130560.db2.gz CLXJKCUPDRNWNA-UHFFFAOYSA-N 0 3 247.306 0.260 20 0 BCADHN CN(CC[NH+](C)C)c1ccc(-c2nn[n-]n2)nc1 ZINC000821585955 587130561 /nfs/dbraw/zinc/13/05/61/587130561.db2.gz CLXJKCUPDRNWNA-UHFFFAOYSA-N 0 3 247.306 0.260 20 0 BCADHN C/C=C\C[C@@H]1CCCN(CCS(N)(=O)=O)C1 ZINC000860178682 589087090 /nfs/dbraw/zinc/08/70/90/589087090.db2.gz DPIRTMUEMRBIEZ-OTDNITJGSA-N 0 3 246.376 0.953 20 0 BCADHN CN(C)CCCNC(=O)c1ccc(C=O)n1C ZINC000822148397 587156656 /nfs/dbraw/zinc/15/66/56/587156656.db2.gz JUBASUUHLXBPPG-UHFFFAOYSA-N 0 3 237.303 0.519 20 0 BCADHN O=C(CN1CCCC1)N1CCC[C@@H]1CCO ZINC000822156227 587157513 /nfs/dbraw/zinc/15/75/13/587157513.db2.gz XEMVOFDTVFZKEO-LLVKDONJSA-N 0 3 226.320 0.456 20 0 BCADHN CN1CC2(C1)CCN(C(=O)CN1CCCC1)C2 ZINC000822461635 587169181 /nfs/dbraw/zinc/16/91/81/587169181.db2.gz CHWLDMAGYVIRCQ-UHFFFAOYSA-N 0 3 237.347 0.246 20 0 BCADHN C[C@H](CNC(=O)c1cc(C=O)cn1C)N(C)C ZINC000822458386 587169258 /nfs/dbraw/zinc/16/92/58/587169258.db2.gz UHVDENISQQQXSO-SECBINFHSA-N 0 3 237.303 0.518 20 0 BCADHN CCCCC[C@H](O)C(=O)NC[C@H](C)N(C)C ZINC000822460583 587169269 /nfs/dbraw/zinc/16/92/69/587169269.db2.gz IWWAUCGERRGTNB-QWRGUYRKSA-N 0 3 230.352 0.994 20 0 BCADHN C[N@@H+]1CC[C@@H](CC(=O)[N-]OCC(C)(C)O)C1 ZINC000822495156 587171749 /nfs/dbraw/zinc/17/17/49/587171749.db2.gz SXQXTMYNFSPYAG-VIFPVBQESA-N 0 3 230.308 0.147 20 0 BCADHN C[N@H+]1CC[C@@H](CC(=O)[N-]OCC(C)(C)O)C1 ZINC000822495156 587171750 /nfs/dbraw/zinc/17/17/50/587171750.db2.gz SXQXTMYNFSPYAG-VIFPVBQESA-N 0 3 230.308 0.147 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1COCO1 ZINC000822569998 587175372 /nfs/dbraw/zinc/17/53/72/587175372.db2.gz ZZHUBXYTTPZVAF-WDEREUQCSA-N 0 3 242.319 0.348 20 0 BCADHN CCCN1CC[C@@H](NC(=O)N2CCCO2)C1 ZINC000823045458 587199763 /nfs/dbraw/zinc/19/97/63/587199763.db2.gz XFXTUHXXHWMITH-SNVBAGLBSA-N 0 3 227.308 0.818 20 0 BCADHN CN1C[C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C1 ZINC000823101857 587202888 /nfs/dbraw/zinc/20/28/88/587202888.db2.gz WKLJTARHKTWRQZ-NEPJUHHUSA-N 0 3 237.347 0.245 20 0 BCADHN CC[C@H]1CN(C)CCN1CC[C@@H]1CCOC1=O ZINC000823199846 587208264 /nfs/dbraw/zinc/20/82/64/587208264.db2.gz IFEDHMIOTQMHMN-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN C[N@@H+]1CC[C@@H](CC(=O)[N-]OC2CCC2)C1 ZINC000823301906 587214763 /nfs/dbraw/zinc/21/47/63/587214763.db2.gz JKOBMIHRDWTZCA-VIFPVBQESA-N 0 3 212.293 0.929 20 0 BCADHN C[N@H+]1CC[C@@H](CC(=O)[N-]OC2CCC2)C1 ZINC000823301906 587214764 /nfs/dbraw/zinc/21/47/64/587214764.db2.gz JKOBMIHRDWTZCA-VIFPVBQESA-N 0 3 212.293 0.929 20 0 BCADHN Cc1ccc(Cc2nc(N3CCNCC3)no2)o1 ZINC000823330436 587216832 /nfs/dbraw/zinc/21/68/32/587216832.db2.gz PAYBVMJUBKMCFM-UHFFFAOYSA-N 0 3 248.286 0.971 20 0 BCADHN O=C(CN1CCCC1)N1CC[C@@H](CCCO)C1 ZINC000823472917 587224442 /nfs/dbraw/zinc/22/44/42/587224442.db2.gz DEYGLWYIPQGLFH-GFCCVEGCSA-N 0 3 240.347 0.703 20 0 BCADHN CN(CC(=O)NC[C@H]1COCO1)CC(C)(C)C ZINC000823558483 587231038 /nfs/dbraw/zinc/23/10/38/587231038.db2.gz JEBGDGRFWVFIGX-JTQLQIEISA-N 0 3 244.335 0.453 20 0 BCADHN O=C(C[NH+]1CCCC1)N1CC[C@@H](c2nnc[n-]2)C1 ZINC000823769652 587240183 /nfs/dbraw/zinc/24/01/83/587240183.db2.gz SNECKTJWTYGARX-SNVBAGLBSA-N 0 3 249.318 0.216 20 0 BCADHN O=C(CN1CCCC1)N1CC[C@@H](c2nnc[nH]2)C1 ZINC000823769652 587240185 /nfs/dbraw/zinc/24/01/85/587240185.db2.gz SNECKTJWTYGARX-SNVBAGLBSA-N 0 3 249.318 0.216 20 0 BCADHN COC(=O)N1CC(N[C@@H]2CSC[C@H]2C)C1 ZINC000824012063 587248024 /nfs/dbraw/zinc/24/80/24/587248024.db2.gz NSUBYACADWKJTG-VXNVDRBHSA-N 0 3 230.333 0.778 20 0 BCADHN COC(=O)N1CC(N[C@H]2CSC[C@H]2C)C1 ZINC000824012060 587248222 /nfs/dbraw/zinc/24/82/22/587248222.db2.gz NSUBYACADWKJTG-APPZFPTMSA-N 0 3 230.333 0.778 20 0 BCADHN CN(C)CCNC(=O)NOCC1CCC1 ZINC000824074412 587253474 /nfs/dbraw/zinc/25/34/74/587253474.db2.gz OROLEVJLPUZQPZ-UHFFFAOYSA-N 0 3 215.297 0.579 20 0 BCADHN O=C(CN1CCCC1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000824252723 587263360 /nfs/dbraw/zinc/26/33/60/587263360.db2.gz GGRLMADCVKAYAU-DTORHVGOSA-N 0 3 230.258 0.806 20 0 BCADHN CN(CCNC(=O)NOCC(C)(C)O)C1CC1 ZINC000824325776 587266582 /nfs/dbraw/zinc/26/65/82/587266582.db2.gz KEZYINQVSPPZFN-UHFFFAOYSA-N 0 3 245.323 0.082 20 0 BCADHN CCn1nc(C)c(CN2CCN3CCC2CC3)n1 ZINC000824389581 587268817 /nfs/dbraw/zinc/26/88/17/587268817.db2.gz NNOBCSBHDCPWTC-UHFFFAOYSA-N 0 3 249.362 0.886 20 0 BCADHN CCONC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000824506022 587272471 /nfs/dbraw/zinc/27/24/71/587272471.db2.gz SMZDJXMUSKXVJI-VHSXEESVSA-N 0 3 227.308 0.674 20 0 BCADHN CON(C)CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC000824530535 587273801 /nfs/dbraw/zinc/27/38/01/587273801.db2.gz BEOKGPWXUHSGGT-LLVKDONJSA-N 0 3 245.367 0.572 20 0 BCADHN CON(C)CCCNC(=O)C1CCN(C)CC1 ZINC000824536648 587274379 /nfs/dbraw/zinc/27/43/79/587274379.db2.gz JVNVNLNRLWBJAH-UHFFFAOYSA-N 0 3 243.351 0.328 20 0 BCADHN O=C(CCCF)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000824734061 587284662 /nfs/dbraw/zinc/28/46/62/587284662.db2.gz UZGGGMAIHAJFJZ-WDEREUQCSA-N 0 3 244.310 0.716 20 0 BCADHN CC[C@@H]1CN(C(=O)C(OC)OC)C[C@H](C)N1 ZINC000824755881 587286145 /nfs/dbraw/zinc/28/61/45/587286145.db2.gz XRRPILGXUGYJQW-DTWKUNHWSA-N 0 3 230.308 0.204 20 0 BCADHN COC(OC)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000824778213 587286964 /nfs/dbraw/zinc/28/69/64/587286964.db2.gz JZKNERHMXFYCPV-VIFPVBQESA-N 0 3 230.308 0.062 20 0 BCADHN C[C@H](C(=O)N1CCN(C)C(C)(C)CC1)N(C)C ZINC000825349690 587316650 /nfs/dbraw/zinc/31/66/50/587316650.db2.gz GUXAOUSCLLUYCP-LLVKDONJSA-N 0 3 241.379 0.879 20 0 BCADHN COCCN(C)CCNC(=O)C(C)(C)SC ZINC000825525579 587323270 /nfs/dbraw/zinc/32/32/70/587323270.db2.gz GZZVWMHESFOTLT-UHFFFAOYSA-N 0 3 248.392 0.822 20 0 BCADHN CN(Cc1cccnc1)C(=O)[C@]1(F)CCNC1 ZINC000825525553 587323562 /nfs/dbraw/zinc/32/35/62/587323562.db2.gz GHZADJODGYSLTM-LBPRGKRZSA-N 0 3 237.278 0.742 20 0 BCADHN CC1=NO[C@H](C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000825748512 587336990 /nfs/dbraw/zinc/33/69/90/587336990.db2.gz DDRAVJDJJXDGEQ-KOLCDFICSA-N 0 3 239.319 0.750 20 0 BCADHN CC1=NO[C@@H](C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000825748511 587337051 /nfs/dbraw/zinc/33/70/51/587337051.db2.gz DDRAVJDJJXDGEQ-GXSJLCMTSA-N 0 3 239.319 0.750 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)[C@@H](O)C1CCC1 ZINC000825891164 587344558 /nfs/dbraw/zinc/34/45/58/587344558.db2.gz FXQXQHJLJLGDKV-NEPJUHHUSA-N 0 3 242.363 0.850 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NCCOCCF ZINC000826745955 587361040 /nfs/dbraw/zinc/36/10/40/587361040.db2.gz IDIRKBRODSCWSJ-LLVKDONJSA-N 0 3 246.326 0.962 20 0 BCADHN CC[C@@](C)(O)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000826762147 587361371 /nfs/dbraw/zinc/36/13/71/587361371.db2.gz DNCRKXLMBBLAAP-ZYHUDNBSSA-N 0 3 228.336 0.604 20 0 BCADHN CC1=NO[C@@H](C(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000826877945 587364652 /nfs/dbraw/zinc/36/46/52/587364652.db2.gz OTLQJQFWRYABFC-WDEREUQCSA-N 0 3 239.319 0.609 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)CC1(C)COC1 ZINC000827135343 587370750 /nfs/dbraw/zinc/37/07/50/587370750.db2.gz BLYAIDVSWCBJMZ-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CC[N@@H+]1CC[C@H](NCCN(C)C(=O)[O-])[C@H](C)C1 ZINC000827215785 587373154 /nfs/dbraw/zinc/37/31/54/587373154.db2.gz UTZJMYLWHPQQEK-MNOVXSKESA-N 0 3 243.351 0.916 20 0 BCADHN CC[N@H+]1CC[C@H](NCCN(C)C(=O)[O-])[C@H](C)C1 ZINC000827215785 587373155 /nfs/dbraw/zinc/37/31/55/587373155.db2.gz UTZJMYLWHPQQEK-MNOVXSKESA-N 0 3 243.351 0.916 20 0 BCADHN CN1CCN(C[C@@H]2CCC=CO2)CCC1=O ZINC000827358320 587378235 /nfs/dbraw/zinc/37/82/35/587378235.db2.gz AQKPEYIASJJZCT-NSHDSACASA-N 0 3 224.304 0.843 20 0 BCADHN OC[C@H](CNCc1cnccn1)CC1CC1 ZINC000827358446 587378355 /nfs/dbraw/zinc/37/83/55/587378355.db2.gz BFGSFGIZTXEBSE-NSHDSACASA-N 0 3 221.304 0.975 20 0 BCADHN CC(=O)CCC(=O)N1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000827374313 587378860 /nfs/dbraw/zinc/37/88/60/587378860.db2.gz NHFYTTIUCIILMX-NWDGAFQWSA-N 0 3 238.331 0.908 20 0 BCADHN CN(Cc1ccccn1)C(=O)[C@@]1(F)CCNC1 ZINC000827383089 587379091 /nfs/dbraw/zinc/37/90/91/587379091.db2.gz ZRZQAFUEGYGLSX-GFCCVEGCSA-N 0 3 237.278 0.742 20 0 BCADHN C[C@H](N)C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000827463609 587382195 /nfs/dbraw/zinc/38/21/95/587382195.db2.gz FDPRXUNUZCOXLA-VIFPVBQESA-N 0 3 245.286 0.231 20 0 BCADHN O=C(NCCc1ccncc1)[C@@]1(F)CCNC1 ZINC000827485787 587382724 /nfs/dbraw/zinc/38/27/24/587382724.db2.gz XMCGVYRROWVVFZ-GFCCVEGCSA-N 0 3 237.278 0.442 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](O)C1 ZINC000827508397 587384871 /nfs/dbraw/zinc/38/48/71/587384871.db2.gz KVJQFTNEGQBWRK-TUAOUCFPSA-N 0 3 240.347 0.746 20 0 BCADHN Cc1cc(CNC2([C@H](C)O)CC2)n(C)n1 ZINC000827586609 587390746 /nfs/dbraw/zinc/39/07/46/587390746.db2.gz ZMDVJKLXERAXPH-VIFPVBQESA-N 0 3 209.293 0.732 20 0 BCADHN O=C(Nc1cc(C2CC2)[nH]n1)[C@]1(F)CCNC1 ZINC000827656709 587394528 /nfs/dbraw/zinc/39/45/28/587394528.db2.gz NZHMAUJXHOSLKL-NSHDSACASA-N 0 3 238.266 0.927 20 0 BCADHN CC[C@@H]1C[C@@H](CN(C)CC(=O)NC)CCO1 ZINC000827862434 587405560 /nfs/dbraw/zinc/40/55/60/587405560.db2.gz FUERFCUTYGJZAL-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN C[S@@](=O)CCN1CCC[C@H](n2ccnc2)C1 ZINC000827877235 587406695 /nfs/dbraw/zinc/40/66/95/587406695.db2.gz QOXDOIXCWWRDAZ-MEDUHNTESA-N 0 3 241.360 0.899 20 0 BCADHN COC(C)(C)CN(C)CC[S@@](C)=O ZINC000827996084 587415928 /nfs/dbraw/zinc/41/59/28/587415928.db2.gz KYLJLACPYONXDW-CYBMUJFWSA-N 0 3 207.339 0.722 20 0 BCADHN C[C@H]1C[C@@H](C(=O)[N-]O[C@@H]2CCCCO2)CC[NH2+]1 ZINC000828059874 587418157 /nfs/dbraw/zinc/41/81/57/587418157.db2.gz XSEVLHIOMUYNBP-GARJFASQSA-N 0 3 242.319 0.949 20 0 BCADHN C[S@](=O)CCN1CCC(CCC(N)=O)CC1 ZINC000828127693 587420716 /nfs/dbraw/zinc/42/07/16/587420716.db2.gz UULJTFFAAPUNAG-INIZCTEOSA-N 0 3 246.376 0.342 20 0 BCADHN Cc1ccccc1[C@@H](CO)NCC[S@@](C)=O ZINC000828212079 587423833 /nfs/dbraw/zinc/42/38/33/587423833.db2.gz OPPYHLRYKNUSHD-MLGOLLRUSA-N 0 3 241.356 0.997 20 0 BCADHN CO[C@H]1CCCN(CC[S@@](C)=O)CC1 ZINC000828217657 587424642 /nfs/dbraw/zinc/42/46/42/587424642.db2.gz IVDUPPPAJPKRHO-IINYFYTJSA-N 0 3 219.350 0.866 20 0 BCADHN CCCONC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000828272197 587429824 /nfs/dbraw/zinc/42/98/24/587429824.db2.gz HFZHAZWFVANJKJ-VIFPVBQESA-N 0 3 227.308 0.864 20 0 BCADHN C[S@](=O)CCN(CC(C)(C)O)C1CC1 ZINC000828323173 587435101 /nfs/dbraw/zinc/43/51/01/587435101.db2.gz XHPHTKMJYZTICT-AWEZNQCLSA-N 0 3 219.350 0.600 20 0 BCADHN CC[C@@]1(CO)CCCN(CC[S@](C)=O)C1 ZINC000828329868 587435268 /nfs/dbraw/zinc/43/52/68/587435268.db2.gz VNMSDBBYCFHAOL-ABAIWWIYSA-N 0 3 233.377 0.849 20 0 BCADHN CC[C@]1(O)CCN(CC[S@](C)=O)C1 ZINC000828330061 587435319 /nfs/dbraw/zinc/43/53/19/587435319.db2.gz YHGQBEWWFJOESN-ZANVPECISA-N 0 3 205.323 0.212 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCCN(C(=O)OC)C1 ZINC000828329274 587435353 /nfs/dbraw/zinc/43/53/53/587435353.db2.gz PJTOWQSLZPZICX-BDAKNGLRSA-N 0 3 243.307 0.071 20 0 BCADHN CCCONC(=O)NC(C)(C)CN(C)C ZINC000828343358 587437183 /nfs/dbraw/zinc/43/71/83/587437183.db2.gz CZSWPTBKKBOTDE-UHFFFAOYSA-N 0 3 217.313 0.967 20 0 BCADHN Cc1noc(C)c1NC(=O)[C@@]1(F)CCNC1 ZINC000828433898 587439908 /nfs/dbraw/zinc/43/99/08/587439908.db2.gz FHCVYIYGIXKVTK-SNVBAGLBSA-N 0 3 227.239 0.932 20 0 BCADHN CC[C@H]1CN(CC[S@@](C)=O)CCCO1 ZINC000828462097 587443690 /nfs/dbraw/zinc/44/36/90/587443690.db2.gz LCTAHLSINCRWCJ-IINYFYTJSA-N 0 3 219.350 0.866 20 0 BCADHN Cc1cc(NCc2nnc(C3CC3)[nH]2)nc(N)n1 ZINC000828512041 587446564 /nfs/dbraw/zinc/44/65/64/587446564.db2.gz ZCEVDMDYVFPCPP-UHFFFAOYSA-N 0 3 245.290 0.975 20 0 BCADHN Cc1cc(NCc2n[nH]c(C3CC3)n2)nc(N)n1 ZINC000828512041 587446566 /nfs/dbraw/zinc/44/65/66/587446566.db2.gz ZCEVDMDYVFPCPP-UHFFFAOYSA-N 0 3 245.290 0.975 20 0 BCADHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CC[S@](C)=O ZINC000828525105 587447657 /nfs/dbraw/zinc/44/76/57/587447657.db2.gz KGQKHFLXOWSJCN-MROSYCPSSA-N 0 3 243.372 0.720 20 0 BCADHN CCC[C@]1(CO)CCN(CC[S@](C)=O)C1 ZINC000828550117 587450129 /nfs/dbraw/zinc/45/01/29/587450129.db2.gz QCZOGEVKWYRBNV-NHYWBVRUSA-N 0 3 233.377 0.849 20 0 BCADHN O=CN1CCCN(CCC[C@H]2CCOC2)CC1 ZINC000828567037 587450710 /nfs/dbraw/zinc/45/07/10/587450710.db2.gz VOJQHYBAEPSBED-ZDUSSCGKSA-N 0 3 240.347 0.967 20 0 BCADHN C[S@](=O)CCN1CCC[C@@]2(CCOC2)C1 ZINC000828609976 587453528 /nfs/dbraw/zinc/45/35/28/587453528.db2.gz QSMWDHCVOYEXBR-ABAIWWIYSA-N 0 3 231.361 0.867 20 0 BCADHN C[S@@](=O)CCN1CCCC[C@H]1C1(O)CC1 ZINC000828615338 587453930 /nfs/dbraw/zinc/45/39/30/587453930.db2.gz PHKJGMFSCRHOAS-ZUZCIYMTSA-N 0 3 231.361 0.744 20 0 BCADHN Cc1n[nH]c([C@@H]2CCN(CC[S@](C)=O)C2)n1 ZINC000828626652 587454580 /nfs/dbraw/zinc/45/45/80/587454580.db2.gz JQRHCFKLZACXRU-ABKXIKBNSA-N 0 3 242.348 0.281 20 0 BCADHN Cc1nc([C@@H]2CCN(CC[S@](C)=O)C2)n[nH]1 ZINC000828626652 587454581 /nfs/dbraw/zinc/45/45/81/587454581.db2.gz JQRHCFKLZACXRU-ABKXIKBNSA-N 0 3 242.348 0.281 20 0 BCADHN Cc1nnc([C@@H]2CCN(CC[S@](C)=O)C2)[nH]1 ZINC000828626652 587454582 /nfs/dbraw/zinc/45/45/82/587454582.db2.gz JQRHCFKLZACXRU-ABKXIKBNSA-N 0 3 242.348 0.281 20 0 BCADHN CCCOC(=O)CCNC(=O)C1(N)CCC1 ZINC000828883456 587468740 /nfs/dbraw/zinc/46/87/40/587468740.db2.gz MRBUOMYEOWIARQ-UHFFFAOYSA-N 0 3 228.292 0.327 20 0 BCADHN CC(C)c1nccn1CCNC(=O)C(C)(C)N ZINC000828966076 587476478 /nfs/dbraw/zinc/47/64/78/587476478.db2.gz WFLOHGJVMVVCJR-UHFFFAOYSA-N 0 3 238.335 0.860 20 0 BCADHN [NH3+][C@@H](CC(=O)Nc1ccncc1[O-])C1CC1 ZINC000828974448 587476683 /nfs/dbraw/zinc/47/66/83/587476683.db2.gz UNXVRGFBLUBXEF-QMMMGPOBSA-N 0 3 221.260 0.275 20 0 BCADHN C[C@@](O)(CN1CC(C)(C(N)=O)C1)c1ccccc1 ZINC000829050980 587480551 /nfs/dbraw/zinc/48/05/51/587480551.db2.gz DHOAUIBEFWGSDY-CQSZACIVSA-N 0 3 248.326 0.701 20 0 BCADHN CC1(C(N)=O)CN(CC[C@@H](O)c2ccccc2)C1 ZINC000829076018 587481884 /nfs/dbraw/zinc/48/18/84/587481884.db2.gz YIJSWKYVICRVHV-GFCCVEGCSA-N 0 3 248.326 0.917 20 0 BCADHN CCCNC(=O)CCCN1CC(C)(C(N)=O)C1 ZINC000829074848 587482053 /nfs/dbraw/zinc/48/20/53/587482053.db2.gz DIEYGAUGNQUCOJ-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN CN(CC[S@@](C)=O)CC1(N(C)C)CCC1 ZINC000829105676 587482858 /nfs/dbraw/zinc/48/28/58/587482858.db2.gz BGQLEJJSAXCTCK-OAHLLOKOSA-N 0 3 232.393 0.781 20 0 BCADHN C[C@@H](CO)N(CC[S@@](C)=O)CC1CCC1 ZINC000829367896 587494459 /nfs/dbraw/zinc/49/44/59/587494459.db2.gz WTASHHHGRWAZSQ-ZUZCIYMTSA-N 0 3 233.377 0.848 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@@H](O)C2CC2)C1 ZINC000829442519 587497027 /nfs/dbraw/zinc/49/70/27/587497027.db2.gz XWDVUXJTUIEUOY-ONGXEEELSA-N 0 3 226.320 0.215 20 0 BCADHN CCSCN1C(C)C(=O)N(C)S1(=O)=O ZINC000829560552 587503366 /nfs/dbraw/zinc/50/33/66/587503366.db2.gz NUZKTORGILVKNO-LURJTMIESA-N 0 3 238.334 0.104 20 0 BCADHN C[C@H]1CN(CCO)CCN1c1ccncc1 ZINC000829577834 587504500 /nfs/dbraw/zinc/50/45/00/587504500.db2.gz QNXTZNYVDVGUMG-NSHDSACASA-N 0 3 221.304 0.584 20 0 BCADHN CC1=NO[C@H](C(=O)N2CCNC(C)(C)C2)C1 ZINC000829581423 587504701 /nfs/dbraw/zinc/50/47/01/587504701.db2.gz DAAAACPSBZOALS-VIFPVBQESA-N 0 3 225.292 0.362 20 0 BCADHN CN(CCO)CCNC(=O)CCC1(C)CC1 ZINC000829749384 587513943 /nfs/dbraw/zinc/51/39/43/587513943.db2.gz IRYBPJZPGGATQG-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN Cc1nonc1CNC(=O)c1cccc(CN)c1 ZINC000829865518 587526193 /nfs/dbraw/zinc/52/61/93/587526193.db2.gz NEGARRVOGABTAI-UHFFFAOYSA-N 0 3 246.270 0.767 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)CN1C1CC1 ZINC000829864000 587526225 /nfs/dbraw/zinc/52/62/25/587526225.db2.gz UZQGRJGWASYZRT-NXEZZACHSA-N 0 3 248.330 0.694 20 0 BCADHN CO[C@@H]1COC[C@H]1NC[C@H]1CC2(CC2)C(=O)O1 ZINC000830103756 587535740 /nfs/dbraw/zinc/53/57/40/587535740.db2.gz YMVQCZAKZYNYEK-OPRDCNLKSA-N 0 3 241.287 0.086 20 0 BCADHN CC(=O)NCCN(C)CCCCCCCO ZINC000830130487 587538159 /nfs/dbraw/zinc/53/81/59/587538159.db2.gz ACZDBKWNIAVVDS-UHFFFAOYSA-N 0 3 230.352 0.997 20 0 BCADHN CN(Cc1ccon1)C(=O)[C@@]1(F)CCNC1 ZINC000830214057 587541849 /nfs/dbraw/zinc/54/18/49/587541849.db2.gz SHVASGJPHNXRCV-SNVBAGLBSA-N 0 3 227.239 0.335 20 0 BCADHN O[C@@H](CN(C1CC1)C1COC1)CN1CCCC1 ZINC000830227515 587542833 /nfs/dbraw/zinc/54/28/33/587542833.db2.gz MKGHMUYDLIJZEI-CYBMUJFWSA-N 0 3 240.347 0.306 20 0 BCADHN CC1(C)OCC[C@@H]1NCC1OCCO1 ZINC000830667890 587563491 /nfs/dbraw/zinc/56/34/91/587563491.db2.gz JZQWGECFEKCBOJ-QMMMGPOBSA-N 0 3 201.266 0.516 20 0 BCADHN C[C@H](O)CCN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830905799 587577279 /nfs/dbraw/zinc/57/72/79/587577279.db2.gz LJGDCMODHSHMFL-AEJSXWLSSA-N 0 3 228.292 0.188 20 0 BCADHN CN(Cc1nccs1)C(=O)[C@]1(F)CCNC1 ZINC000830963396 587579207 /nfs/dbraw/zinc/57/92/07/587579207.db2.gz PEUPKEFTIVZSQJ-JTQLQIEISA-N 0 3 243.307 0.803 20 0 BCADHN CO[C@@H]1C[C@@H](NC(=O)[C@]2(F)CCNC2)C1(C)C ZINC000831133325 587587054 /nfs/dbraw/zinc/58/70/54/587587054.db2.gz UZFWPOJVJSLDRP-LNLATYFQSA-N 0 3 244.310 0.618 20 0 BCADHN C[C@H](C[C@@H]1CCOC1)NC(=O)[C@@]1(F)CCNC1 ZINC000831299207 587596446 /nfs/dbraw/zinc/59/64/46/587596446.db2.gz PFTUALGZMRPWDP-JFGNBEQYSA-N 0 3 244.310 0.619 20 0 BCADHN COCCC1(CNC(=O)[C@]2(F)CCNC2)CC1 ZINC000831412419 587604330 /nfs/dbraw/zinc/60/43/30/587604330.db2.gz SAAXJHGNJJEBFD-LBPRGKRZSA-N 0 3 244.310 0.621 20 0 BCADHN CCON(CC)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000831470631 587611625 /nfs/dbraw/zinc/61/16/25/587611625.db2.gz DNTMYSLISCMLKQ-NSHDSACASA-N 0 3 241.335 0.176 20 0 BCADHN O=C(N[C@H]1CCCOCC1)[C@]1(F)CCNC1 ZINC000831517245 587616044 /nfs/dbraw/zinc/61/60/44/587616044.db2.gz AGKUQFKMABYAOY-ONGXEEELSA-N 0 3 230.283 0.373 20 0 BCADHN C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)[C@@H](C)CN1 ZINC000831539945 587617802 /nfs/dbraw/zinc/61/78/02/587617802.db2.gz BLSGSPPQTVWCFD-ZJUUUORDSA-N 0 3 235.287 0.142 20 0 BCADHN CCO[C@@H](CNC(=O)C1(F)CC1)CN(C)C ZINC000831707752 587628469 /nfs/dbraw/zinc/62/84/69/587628469.db2.gz LEUAANSXRSPNAD-VIFPVBQESA-N 0 3 232.299 0.571 20 0 BCADHN CCO[C@H](CNC(=O)CC1COC1)CN(C)C ZINC000831709301 587628497 /nfs/dbraw/zinc/62/84/97/587628497.db2.gz YQNBHRRCFAAPGD-LLVKDONJSA-N 0 3 244.335 0.106 20 0 BCADHN CCO[C@@H](CNC(=O)[C@@H]1C[C@H]1C)CN(C)C ZINC000831724698 587629283 /nfs/dbraw/zinc/62/92/83/587629283.db2.gz RBKNSVCUDGXTOA-OUAUKWLOSA-N 0 3 228.336 0.725 20 0 BCADHN O=C(N[C@@H]1C[C@H]1C1CCC1)[C@]1(F)CCNC1 ZINC000831759127 587630556 /nfs/dbraw/zinc/63/05/56/587630556.db2.gz FCSSXUDXMMPBGB-UMNHJUIQSA-N 0 3 226.295 0.993 20 0 BCADHN CCO[C@@H](CNC(=O)c1ccn[nH]1)CN(C)C ZINC000831765855 587631006 /nfs/dbraw/zinc/63/10/06/587631006.db2.gz DXBVAZFYKGCFLC-VIFPVBQESA-N 0 3 240.307 0.106 20 0 BCADHN CCOCC(=O)NC[C@@H](CN(C)C)OCC ZINC000831776846 587631388 /nfs/dbraw/zinc/63/13/88/587631388.db2.gz NLVJHHMWWLKHPK-JTQLQIEISA-N 0 3 232.324 0.106 20 0 BCADHN CCO[C@H](CNC(=O)CCSC)CN(C)C ZINC000831775758 587631609 /nfs/dbraw/zinc/63/16/09/587631609.db2.gz BONPVTPUXSLERW-SNVBAGLBSA-N 0 3 248.392 0.822 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1 ZINC000831921047 587636705 /nfs/dbraw/zinc/63/67/05/587636705.db2.gz HENAMRMMLUJBSJ-XLDPMVHQSA-N 0 3 240.278 0.711 20 0 BCADHN O=C(Nc1cncnc1)c1n[nH]c2c1CNCC2 ZINC000831921570 587636778 /nfs/dbraw/zinc/63/67/78/587636778.db2.gz PXBKWPABDGAQIO-UHFFFAOYSA-N 0 3 244.258 0.098 20 0 BCADHN O=C(Nc1cncnc1)[C@@]1(F)CCNC1 ZINC000831922036 587636907 /nfs/dbraw/zinc/63/69/07/587636907.db2.gz XBVYFYCDUWTEMQ-SECBINFHSA-N 0 3 210.212 0.117 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000831921045 587637076 /nfs/dbraw/zinc/63/70/76/587637076.db2.gz HENAMRMMLUJBSJ-VHSKPIJISA-N 0 3 240.278 0.711 20 0 BCADHN C[C@H](NC(=O)Cc1ncc[nH]1)C1=CCN(C)CC1 ZINC000831937449 587637595 /nfs/dbraw/zinc/63/75/95/587637595.db2.gz UZROIVLZWVHYPK-JTQLQIEISA-N 0 3 248.330 0.719 20 0 BCADHN O=C(NCC[C@@H]1CCCCO1)[C@]1(F)CCNC1 ZINC000831953309 587638406 /nfs/dbraw/zinc/63/84/06/587638406.db2.gz YYVIFPAHTPYCLU-JQWIXIFHSA-N 0 3 244.310 0.763 20 0 BCADHN CCOC[C@H](NC(=O)[C@]1(F)CCNC1)C(C)C ZINC000831961617 587639321 /nfs/dbraw/zinc/63/93/21/587639321.db2.gz YMISHLLGRABHCX-JQWIXIFHSA-N 0 3 246.326 0.865 20 0 BCADHN CCN(CC(F)F)C(=O)[C@]1(F)CCNC1 ZINC000831966944 587640007 /nfs/dbraw/zinc/64/00/07/587640007.db2.gz YXTBQZRHHSRJNW-VIFPVBQESA-N 0 3 224.226 0.802 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)[C@@H](N)CC(F)F ZINC000831970395 587640678 /nfs/dbraw/zinc/64/06/78/587640678.db2.gz FYXCRZLRRPBKLA-BDAKNGLRSA-N 0 3 249.305 0.569 20 0 BCADHN CCCCOC(=O)CCN1C[C@@H](O)[C@H](OC)C1 ZINC000832000897 587642185 /nfs/dbraw/zinc/64/21/85/587642185.db2.gz CKAOCBOYYLZXHA-GHMZBOCLSA-N 0 3 245.319 0.411 20 0 BCADHN CO[C@@H]1CN(CCC(=O)C2CC2)C[C@H]1O ZINC000832006871 587642440 /nfs/dbraw/zinc/64/24/40/587642440.db2.gz DZUCMZWUNCPSJG-GHMZBOCLSA-N 0 3 213.277 0.047 20 0 BCADHN O=C(CNC1CC1)N1CCC[C@H]1c1ncc[nH]1 ZINC000832139803 587646263 /nfs/dbraw/zinc/64/62/63/587646263.db2.gz FPSHKNKMVKROFK-JTQLQIEISA-N 0 3 234.303 0.825 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCOC(=O)C1CC1 ZINC000832182589 587648432 /nfs/dbraw/zinc/64/84/32/587648432.db2.gz LIGASCIBCVOEHJ-LBPRGKRZSA-N 0 3 242.319 0.573 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCOC(=O)C1CC1 ZINC000832183085 587649217 /nfs/dbraw/zinc/64/92/17/587649217.db2.gz QXYANIDHNMOIIW-MRVPVSSYSA-N 0 3 240.303 0.196 20 0 BCADHN CSC(C)(C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000832206330 587649223 /nfs/dbraw/zinc/64/92/23/587649223.db2.gz CFAASWLSALTDQH-NSHDSACASA-N 0 3 246.376 0.311 20 0 BCADHN C[NH2+][C@@H]1CCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000832250407 587652245 /nfs/dbraw/zinc/65/22/45/587652245.db2.gz PUYHWVPTHMQNSO-SECBINFHSA-N 0 3 235.287 0.408 20 0 BCADHN Nc1ccc(C(=O)N2CC[C@H]([NH3+])C2)c([O-])c1 ZINC000832530279 587665080 /nfs/dbraw/zinc/66/50/80/587665080.db2.gz URZBGEQIJYTECR-QMMMGPOBSA-N 0 3 221.260 0.148 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1ccc(C=O)n1C ZINC000832534939 587665395 /nfs/dbraw/zinc/66/53/95/587665395.db2.gz RLIVZZOMFUJVPA-VIFPVBQESA-N 0 3 237.303 0.518 20 0 BCADHN CCC[C@@H](O)CCNC(=O)C1CCN(C)CC1 ZINC000832652097 587673655 /nfs/dbraw/zinc/67/36/55/587673655.db2.gz RZJOQXYCUNJIAL-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H]1CN(C(=O)c2ccc(N)cc2[O-])CC[C@H]1[NH3+] ZINC000832736831 587681299 /nfs/dbraw/zinc/68/12/99/587681299.db2.gz CPTSYVLRDREPAI-GZMMTYOYSA-N 0 3 249.314 0.784 20 0 BCADHN CC(C)[C@H](C(=O)NCC1OCCCO1)N(C)C ZINC000832782485 587689517 /nfs/dbraw/zinc/68/95/17/587689517.db2.gz SGWICWILDHKSGQ-LLVKDONJSA-N 0 3 244.335 0.452 20 0 BCADHN COC[C@@H](C)OC(=O)NCCOCCN(C)C ZINC000867090295 587705561 /nfs/dbraw/zinc/70/55/61/587705561.db2.gz UNRWLHDJBAVLEJ-SNVBAGLBSA-N 0 3 248.323 0.326 20 0 BCADHN CN1CC[C@@H]2CN(C(=O)c3cnsn3)C[C@@H]21 ZINC000834315227 587751340 /nfs/dbraw/zinc/75/13/40/587751340.db2.gz XIDWTOSSUUBBPY-APPZFPTMSA-N 0 3 238.316 0.314 20 0 BCADHN Nc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c([O-])c1 ZINC000834694367 587764379 /nfs/dbraw/zinc/76/43/79/587764379.db2.gz DMSQCFZKMIPRDZ-DTORHVGOSA-N 0 3 247.298 0.266 20 0 BCADHN C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000834723076 587764965 /nfs/dbraw/zinc/76/49/65/587764965.db2.gz PBARLKGHIDVZFC-ZDUSSCGKSA-N 0 3 249.314 0.785 20 0 BCADHN C[C@H](CCC[NH3+])NC(=O)c1ccc(N)cc1[O-] ZINC000834813419 587767421 /nfs/dbraw/zinc/76/74/21/587767421.db2.gz NADKAZAYPZJYGB-MRVPVSSYSA-N 0 3 237.303 0.832 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CNCCC1(F)F ZINC000834840039 587768095 /nfs/dbraw/zinc/76/80/95/587768095.db2.gz AYTXFKIEJJUETE-GJMOJQLCSA-N 0 3 218.247 0.756 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)c1ncccn1 ZINC000834846374 587768413 /nfs/dbraw/zinc/76/84/13/587768413.db2.gz UOSFTUCDJDZVQY-SSDOTTSWSA-N 0 3 242.229 0.204 20 0 BCADHN Nc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c([O-])c1 ZINC000834862349 587768866 /nfs/dbraw/zinc/76/88/66/587768866.db2.gz RWIBACJUVNJJGR-PSASIEDQSA-N 0 3 249.314 0.832 20 0 BCADHN O[C@H]1C[C@@H](N[C@H]2CCCc3n[nH]cc32)C1 ZINC000834904651 587770293 /nfs/dbraw/zinc/77/02/93/587770293.db2.gz APHRNXFSAWGMBA-XKSSXDPKSA-N 0 3 207.277 0.900 20 0 BCADHN Cc1nsc(C(=O)NC[C@H](C)N(C)C)n1 ZINC000836237726 587829515 /nfs/dbraw/zinc/82/95/15/587829515.db2.gz APBRLIGUSSUALQ-LURJTMIESA-N 0 3 228.321 0.526 20 0 BCADHN CC(C)ONC(=O)NC[C@H]1CCCN1C ZINC000836344670 587831123 /nfs/dbraw/zinc/83/11/23/587831123.db2.gz ATRWEODGPILRPL-SECBINFHSA-N 0 3 215.297 0.720 20 0 BCADHN CC(C)ONC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000836351036 587831133 /nfs/dbraw/zinc/83/11/33/587831133.db2.gz YLYLPPKBGBLUID-SECBINFHSA-N 0 3 227.308 0.862 20 0 BCADHN C[C@@H](CNC(=O)N[C@H](CO)C1CC1)N(C)C ZINC000836622436 587835806 /nfs/dbraw/zinc/83/58/06/587835806.db2.gz CBMKMDXFSUGDAP-WCBMZHEXSA-N 0 3 229.324 0.007 20 0 BCADHN CC[C@@H](CO)C(=O)NC(C)(C)CN(C)C ZINC000837239285 587860864 /nfs/dbraw/zinc/86/08/64/587860864.db2.gz NYEHGBSJNFHRQZ-VIFPVBQESA-N 0 3 216.325 0.461 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1C(=O)OCC1(C)C ZINC000837633503 587886918 /nfs/dbraw/zinc/88/69/18/587886918.db2.gz QBLMQXHDZKYZDM-JTQLQIEISA-N 0 3 242.319 0.396 20 0 BCADHN CCC(=O)[C@@H](C)OC(=O)C1CCCN(C)C1=O ZINC000837955853 587905575 /nfs/dbraw/zinc/90/55/75/587905575.db2.gz JIHJBPCACYUISE-BDAKNGLRSA-N 0 3 241.287 0.766 20 0 BCADHN COCCCOC(=O)C1CCCN(C)C1=O ZINC000837957596 587905767 /nfs/dbraw/zinc/90/57/67/587905767.db2.gz VNYZABFUXHVNFT-SECBINFHSA-N 0 3 229.276 0.435 20 0 BCADHN CN(C)CCNC(=S)NCCC(C)(C)CO ZINC000840781784 587921435 /nfs/dbraw/zinc/92/14/35/587921435.db2.gz JPMNEZRZJMYVPQ-UHFFFAOYSA-N 0 3 247.408 0.421 20 0 BCADHN CN1CCC(NC(=S)N2CC[C@H](F)C2)CC1 ZINC000840778443 587921461 /nfs/dbraw/zinc/92/14/61/587921461.db2.gz BOIQHEQXCHLHQC-VIFPVBQESA-N 0 3 245.367 0.999 20 0 BCADHN CCNC(=S)NC[C@@H]1CCCN1CCCO ZINC000840780129 587921571 /nfs/dbraw/zinc/92/15/71/587921571.db2.gz QFYPTOGNLJGFJC-JTQLQIEISA-N 0 3 245.392 0.317 20 0 BCADHN C[C@@H](NCCS(=O)(=O)C1CC1)C1CC1 ZINC000840881196 587927626 /nfs/dbraw/zinc/92/76/26/587927626.db2.gz HDXQVKYMKHDXHI-MRVPVSSYSA-N 0 3 217.334 0.952 20 0 BCADHN CC1(CNCCS(=O)(=O)C2CC2)CC1 ZINC000840965325 587932622 /nfs/dbraw/zinc/93/26/22/587932622.db2.gz CGXSXZJUPBIQTR-UHFFFAOYSA-N 0 3 217.334 0.953 20 0 BCADHN C[C@H]1CSC[C@@H]1NCCS(=O)(=O)C1CC1 ZINC000840966288 587932656 /nfs/dbraw/zinc/93/26/56/587932656.db2.gz NTZXIYVDKLHXTQ-WPRPVWTQSA-N 0 3 249.401 0.905 20 0 BCADHN C[C@H](CO)CN1CCCC2(C1)OCCO2 ZINC000121514578 587972155 /nfs/dbraw/zinc/97/21/55/587972155.db2.gz SNUFNQKIJCUFOS-JTQLQIEISA-N 0 3 215.293 0.454 20 0 BCADHN CC(C)CONC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000841862936 587976343 /nfs/dbraw/zinc/97/63/43/587976343.db2.gz CRVXBDOWXXLZOW-ZJUUUORDSA-N 0 3 229.324 0.966 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc(N)cc2O)[C@@H](C)CN1 ZINC000841849375 587977614 /nfs/dbraw/zinc/97/76/14/587977614.db2.gz PQTDTPCKBOIINA-BDAKNGLRSA-N 0 3 249.314 0.797 20 0 BCADHN Nc1ccc(C(=O)NC[C@H]([NH3+])C2CC2)c([O-])c1 ZINC000841849450 587977736 /nfs/dbraw/zinc/97/77/36/587977736.db2.gz VMEHPULVPLCAJN-JTQLQIEISA-N 0 3 235.287 0.442 20 0 BCADHN C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000841851518 587978229 /nfs/dbraw/zinc/97/82/29/587978229.db2.gz MAWQMFLLVJMNQE-GZMMTYOYSA-N 0 3 249.314 0.702 20 0 BCADHN Nc1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)c([O-])c1 ZINC000841851221 587978509 /nfs/dbraw/zinc/97/85/09/587978509.db2.gz HOKQSZACJPQUAI-JTQLQIEISA-N 0 3 249.314 0.846 20 0 BCADHN COCCNCCNC(=O)NCCC1CCC1 ZINC000841858561 587978945 /nfs/dbraw/zinc/97/89/45/587978945.db2.gz RVYSHXAIENOVHG-UHFFFAOYSA-N 0 3 243.351 0.712 20 0 BCADHN C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CNCCO2)C1 ZINC000841883796 587980853 /nfs/dbraw/zinc/98/08/53/587980853.db2.gz GUSZXESDFZZEIV-MXWKQRLJSA-N 0 3 241.335 0.463 20 0 BCADHN C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CNCCO2)C1 ZINC000841883799 587980993 /nfs/dbraw/zinc/98/09/93/587980993.db2.gz GUSZXESDFZZEIV-OUAUKWLOSA-N 0 3 241.335 0.463 20 0 BCADHN CON(C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000841947171 587986381 /nfs/dbraw/zinc/98/63/81/587986381.db2.gz DRKMEMXSCTYLRK-SNVBAGLBSA-N 0 3 223.276 0.889 20 0 BCADHN CC[C@@H](COC(=O)C1CCN(C)C1=O)OC ZINC000842093344 587998645 /nfs/dbraw/zinc/99/86/45/587998645.db2.gz OASRRBRTUIAAMH-IUCAKERBSA-N 0 3 229.276 0.433 20 0 BCADHN CC[C@H](COC(=O)C1CCCN(C)C1=O)OC ZINC000842102189 587999990 /nfs/dbraw/zinc/99/99/90/587999990.db2.gz KTVBERZQSRMURS-NXEZZACHSA-N 0 3 243.303 0.823 20 0 BCADHN CC[C@H](CNC1(CO)COC(C)(C)OC1)OC ZINC000842156050 588003856 /nfs/dbraw/zinc/00/38/56/588003856.db2.gz HRNJGIVWNAVTAK-SNVBAGLBSA-N 0 3 247.335 0.515 20 0 BCADHN CC[C@H](C(=O)NCCN1CCC[C@@H]1C)[C@H](C)O ZINC000842250800 588009302 /nfs/dbraw/zinc/00/93/02/588009302.db2.gz LLVSVBMQUNEBST-SRVKXCTJSA-N 0 3 242.363 0.994 20 0 BCADHN F[C@@]1(c2nc(C[C@@H]3CCCO3)no2)CCNC1 ZINC000842571218 588043306 /nfs/dbraw/zinc/04/33/06/588043306.db2.gz LXQUOXXYSMFDFM-KWQFWETISA-N 0 3 241.266 0.949 20 0 BCADHN C[C@@H]1C[C@@H](NC[C@@H](O)c2cnn(C)c2)CO1 ZINC000842685397 588052393 /nfs/dbraw/zinc/05/23/93/588052393.db2.gz ULTATRKPYAVWEX-FBIMIBRVSA-N 0 3 225.292 0.221 20 0 BCADHN C[C@@H]1C[C@H](NC[C@H](O)c2cnn(C)c2)CO1 ZINC000842685399 588052499 /nfs/dbraw/zinc/05/24/99/588052499.db2.gz ULTATRKPYAVWEX-MIMYLULJSA-N 0 3 225.292 0.221 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CO[C@H](C)C1 ZINC000842770320 588062028 /nfs/dbraw/zinc/06/20/28/588062028.db2.gz QQDBFHIYNGSNGT-BDAKNGLRSA-N 0 3 216.281 0.163 20 0 BCADHN C[C@@H](NCCc1cn(C)nn1)c1cn[nH]c1 ZINC000842895794 588070925 /nfs/dbraw/zinc/07/09/25/588070925.db2.gz XFNOLLAZDYFRER-MRVPVSSYSA-N 0 3 220.280 0.432 20 0 BCADHN CC(C)CS(=O)(=O)N1CC[C@H](N(C)C)[C@@H]1C ZINC000867308464 588071237 /nfs/dbraw/zinc/07/12/37/588071237.db2.gz JYRJLSBSVAWYML-QWRGUYRKSA-N 0 3 248.392 0.997 20 0 BCADHN C[C@@H](NCCCc1ncn(C)n1)c1ncc[nH]1 ZINC000842900707 588071665 /nfs/dbraw/zinc/07/16/65/588071665.db2.gz HAVMLMMTXVQKCU-SECBINFHSA-N 0 3 234.307 0.822 20 0 BCADHN O[C@@H](CNC[C@@H](O)C1CC1)c1ccc(F)cn1 ZINC000843070334 588079272 /nfs/dbraw/zinc/07/92/72/588079272.db2.gz ALDFHQSLXOTTBH-NEPJUHHUSA-N 0 3 240.278 0.615 20 0 BCADHN Cc1ccccc1[C@@H](O)CNC[C@@](C)(O)CO ZINC000843080065 588080172 /nfs/dbraw/zinc/08/01/72/588080172.db2.gz FNHDQSSHRJHSKW-QWHCGFSZSA-N 0 3 239.315 0.361 20 0 BCADHN CC(C)[C@@H](O)CNC[C@@H](O)c1ccc(F)cn1 ZINC000843080576 588080382 /nfs/dbraw/zinc/08/03/82/588080382.db2.gz JROVIYLLHDSPGP-NWDGAFQWSA-N 0 3 242.294 0.861 20 0 BCADHN COC[C@@H](O)CNC[C@@H](O)c1cccc(C)c1 ZINC000843087135 588080608 /nfs/dbraw/zinc/08/06/08/588080608.db2.gz JBVKRXSVMAUHSH-QWHCGFSZSA-N 0 3 239.315 0.625 20 0 BCADHN CC[C@H](O)CNC[C@H](O)c1ccc(C)o1 ZINC000843087674 588080738 /nfs/dbraw/zinc/08/07/38/588080738.db2.gz MHDJXVQNFQELKJ-UWVGGRQHSA-N 0 3 213.277 0.982 20 0 BCADHN C[C@H](NCCC(N)=O)[C@H](O)c1cccc(F)c1 ZINC000843103577 588081394 /nfs/dbraw/zinc/08/13/94/588081394.db2.gz MNTKETPLOZIQGN-UFBFGSQYSA-N 0 3 240.278 0.713 20 0 BCADHN CC[C@H](NCCS(C)(=O)=O)[C@@H](O)C(C)C ZINC000843117174 588082887 /nfs/dbraw/zinc/08/28/87/588082887.db2.gz WSAMUZOEDNJCFJ-UWVGGRQHSA-N 0 3 237.365 0.416 20 0 BCADHN CC[C@H](NCCS(C)(=O)=O)[C@H](O)C(F)F ZINC000843116199 588083030 /nfs/dbraw/zinc/08/30/30/588083030.db2.gz VSYJTRDUGFUADU-BQBZGAKWSA-N 0 3 245.291 0.025 20 0 BCADHN CC[C@H](O)CN[C@H]1COc2ccccc2[C@H]1O ZINC000843117945 588083107 /nfs/dbraw/zinc/08/31/07/588083107.db2.gz VMBNIUWIBLYJSQ-XHVZSJERSA-N 0 3 237.299 0.842 20 0 BCADHN CS(=O)(=O)CCN[C@H](CO)CC1CCC1 ZINC000843119839 588083907 /nfs/dbraw/zinc/08/39/07/588083907.db2.gz YCFNPGZYDQGKMW-JTQLQIEISA-N 0 3 235.349 0.172 20 0 BCADHN F[C@@]1(c2nc(Cc3ccon3)no2)CCNC1 ZINC000843187613 588091420 /nfs/dbraw/zinc/09/14/20/588091420.db2.gz JDGROFGXPICFRS-JTQLQIEISA-N 0 3 238.222 0.807 20 0 BCADHN c1cc(-c2noc(C[C@@H]3CNCCO3)n2)no1 ZINC000843192974 588092435 /nfs/dbraw/zinc/09/24/35/588092435.db2.gz JQTWNBGTSQXJRV-SSDOTTSWSA-N 0 3 236.231 0.256 20 0 BCADHN NCC1(c2nc(-c3cocn3)no2)CC1 ZINC000843219361 588093809 /nfs/dbraw/zinc/09/38/09/588093809.db2.gz JYCANLLSAOABIG-UHFFFAOYSA-N 0 3 206.205 0.715 20 0 BCADHN CC1(C)CNCCN1C(=O)c1cccc[n+]1[O-] ZINC000843351806 588102526 /nfs/dbraw/zinc/10/25/26/588102526.db2.gz DZTKCWHXJVKSFX-UHFFFAOYSA-N 0 3 235.287 0.144 20 0 BCADHN CCC/C(C)=C\C(=O)N1CCN(C)C[C@H]1CN ZINC000843357833 588103752 /nfs/dbraw/zinc/10/37/52/588103752.db2.gz RLHBAIITHLYRIQ-NXIHDVOMSA-N 0 3 239.363 0.834 20 0 BCADHN CCNCC(=O)N[C@H](C)COCC(F)(F)F ZINC000843408310 588106912 /nfs/dbraw/zinc/10/69/12/588106912.db2.gz YNCNRURUVCOAQR-SSDOTTSWSA-N 0 3 242.241 0.680 20 0 BCADHN CCN(OC)C(=O)CN[C@@H](C)CCOC ZINC000843430773 588109083 /nfs/dbraw/zinc/10/90/83/588109083.db2.gz PUBLELFNOMLLDM-VIFPVBQESA-N 0 3 218.297 0.411 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1COC(C)(C)C1 ZINC000843432644 588109242 /nfs/dbraw/zinc/10/92/42/588109242.db2.gz GCBREXOZRJPXJK-SECBINFHSA-N 0 3 230.308 0.553 20 0 BCADHN CCN(OC)C(=O)CNC[C@@H](C)COC ZINC000843431052 588109281 /nfs/dbraw/zinc/10/92/81/588109281.db2.gz WAKUWSGBIKJQAE-SECBINFHSA-N 0 3 218.297 0.268 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)C(C)(C)C)[nH]n1 ZINC000843437249 588109557 /nfs/dbraw/zinc/10/95/57/588109557.db2.gz SKDGVCRUNFGNCQ-SNVBAGLBSA-N 0 3 238.335 0.962 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)C(C)(C)C)n[nH]1 ZINC000843437249 588109558 /nfs/dbraw/zinc/10/95/58/588109558.db2.gz SKDGVCRUNFGNCQ-SNVBAGLBSA-N 0 3 238.335 0.962 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CC[C@H]1SC ZINC000843433070 588109659 /nfs/dbraw/zinc/10/96/59/588109659.db2.gz QBFCEYUIYTUBQP-DTWKUNHWSA-N 0 3 232.349 0.880 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)[C@H](C)CC)[nH]n1 ZINC000843437092 588109767 /nfs/dbraw/zinc/10/97/67/588109767.db2.gz OHPFGSRMZPYZKU-KCJUWKMLSA-N 0 3 238.335 0.962 20 0 BCADHN CCc1cc(CNC(=O)[C@@H](N)[C@H](C)CC)n[nH]1 ZINC000843437092 588109769 /nfs/dbraw/zinc/10/97/69/588109769.db2.gz OHPFGSRMZPYZKU-KCJUWKMLSA-N 0 3 238.335 0.962 20 0 BCADHN C[C@H](NC1CC1)C(=O)NC1(C(N)=O)CCCC1 ZINC000843438898 588110318 /nfs/dbraw/zinc/11/03/18/588110318.db2.gz GENAXGNWRSDECK-QMMMGPOBSA-N 0 3 239.319 0.041 20 0 BCADHN CCNCC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000843440352 588110332 /nfs/dbraw/zinc/11/03/32/588110332.db2.gz YAEYNJYCPQRYIS-VIFPVBQESA-N 0 3 222.292 0.513 20 0 BCADHN CCCN[C@@H](C)C(=O)NC1(C(N)=O)CCCC1 ZINC000843438882 588110380 /nfs/dbraw/zinc/11/03/80/588110380.db2.gz FMBCWRACPMGBOY-VIFPVBQESA-N 0 3 241.335 0.289 20 0 BCADHN CCNCC(=O)NC[C@H](CCO)CC(C)C ZINC000843448802 588111407 /nfs/dbraw/zinc/11/14/07/588111407.db2.gz VILZUVQLXGHMLV-LLVKDONJSA-N 0 3 230.352 0.757 20 0 BCADHN CCNCC(=O)NC[C@@H](CO)Cc1ccco1 ZINC000843449973 588111429 /nfs/dbraw/zinc/11/14/29/588111429.db2.gz CBLJYQVGRUKWTR-JTQLQIEISA-N 0 3 240.303 0.156 20 0 BCADHN O=C([N-]OCc1ccccc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843449620 588111439 /nfs/dbraw/zinc/11/14/39/588111439.db2.gz BXDNQRXAFJSSJU-GDNZZTSVSA-N 0 3 232.283 0.700 20 0 BCADHN CCOC(=O)[C@H](CC1CC1)NC(=O)[C@H](C)N ZINC000843449206 588111456 /nfs/dbraw/zinc/11/14/56/588111456.db2.gz YINACOIWIDVKOA-CBAPKCEASA-N 0 3 228.292 0.182 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1C ZINC000843472204 588113631 /nfs/dbraw/zinc/11/36/31/588113631.db2.gz NBKXGUMKPOKFGK-UWVGGRQHSA-N 0 3 235.287 0.142 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cc[n+]([O-])cc2)[C@@H]1C ZINC000843472202 588113743 /nfs/dbraw/zinc/11/37/43/588113743.db2.gz NBKXGUMKPOKFGK-NXEZZACHSA-N 0 3 235.287 0.142 20 0 BCADHN O=C(NC[C@@H]1C[C@H](F)CN1)C1(C(F)F)CC1 ZINC000843482214 588114358 /nfs/dbraw/zinc/11/43/58/588114358.db2.gz KSTGYYWQYFIQRL-BQBZGAKWSA-N 0 3 236.237 0.848 20 0 BCADHN CCNCC(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC000843493029 588115275 /nfs/dbraw/zinc/11/52/75/588115275.db2.gz BWEONTGTTFLCQB-VIFPVBQESA-N 0 3 222.292 0.683 20 0 BCADHN C[C@@H](NC(=O)CN)[C@@H](O)c1cccc(F)c1 ZINC000843493405 588115538 /nfs/dbraw/zinc/11/55/38/588115538.db2.gz WBNDXZNVTFGAJO-RDDDGLTNSA-N 0 3 226.251 0.323 20 0 BCADHN CCNCC(=O)N(C)CCCn1ccnc1 ZINC000843490853 588115801 /nfs/dbraw/zinc/11/58/01/588115801.db2.gz FDUUQFMZAFPTJK-UHFFFAOYSA-N 0 3 224.308 0.341 20 0 BCADHN CCc1cc(NC(=O)CNCC2CC2)nn1C ZINC000843501022 588116930 /nfs/dbraw/zinc/11/69/30/588116930.db2.gz AHVGQGGTMVAWHM-UHFFFAOYSA-N 0 3 236.319 0.921 20 0 BCADHN CN(C)CCN1CCN(C(=O)C2(F)CC2)CC1 ZINC000843755195 588137732 /nfs/dbraw/zinc/13/77/32/588137732.db2.gz FKLCLUBGIVMZDX-UHFFFAOYSA-N 0 3 243.326 0.194 20 0 BCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1(F)CC1 ZINC000843779017 588139709 /nfs/dbraw/zinc/13/97/09/588139709.db2.gz NJFZKDAIPZVZEA-NXEZZACHSA-N 0 3 242.294 0.468 20 0 BCADHN CN1CCC[C@H](CNC(=O)C2(F)CC2)C1 ZINC000843793036 588140570 /nfs/dbraw/zinc/14/05/70/588140570.db2.gz YWNMJQHDNFYERD-SECBINFHSA-N 0 3 214.284 0.947 20 0 BCADHN C/C=C\C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000844097323 588167502 /nfs/dbraw/zinc/16/75/02/588167502.db2.gz VVFCUTOQKAXIKI-ARJAWSKDSA-N 0 3 238.331 0.886 20 0 BCADHN CN(C)CC[C@](C)(O)CNC(=O)C1(F)CC1 ZINC000844139222 588169912 /nfs/dbraw/zinc/16/99/12/588169912.db2.gz MTLQBGYPMKIPFI-JTQLQIEISA-N 0 3 232.299 0.307 20 0 BCADHN CCN(CCc1ccccn1)C(=O)C1(N)CC1 ZINC000844177507 588171891 /nfs/dbraw/zinc/17/18/91/588171891.db2.gz LPIAZHVEHDJBGI-UHFFFAOYSA-N 0 3 233.315 0.964 20 0 BCADHN CCNCC(=O)N1CCN(CC(F)F)CC1 ZINC000844177842 588171933 /nfs/dbraw/zinc/17/19/33/588171933.db2.gz HULZIIHDZBXTIF-UHFFFAOYSA-N 0 3 235.278 0.005 20 0 BCADHN CN(C(=O)[C@]1(F)CCNC1)c1cn[nH]c1 ZINC000844191063 588172793 /nfs/dbraw/zinc/17/27/93/588172793.db2.gz PWYHHMDXFDDQSR-VIFPVBQESA-N 0 3 212.228 0.074 20 0 BCADHN Cc1nc[nH]c1CNC(=O)[C@@]1(F)CCNC1 ZINC000844191796 588172922 /nfs/dbraw/zinc/17/29/22/588172922.db2.gz ZWRLDBPHRYOJJH-SNVBAGLBSA-N 0 3 226.255 0.036 20 0 BCADHN C[C@@H]1CC(NC(=O)[C@@]2(F)CCNC2)C[C@@H](C)O1 ZINC000844202397 588173469 /nfs/dbraw/zinc/17/34/69/588173469.db2.gz JIFKAWDXGJBDER-KBVBSXBZSA-N 0 3 244.310 0.760 20 0 BCADHN CCNCC(=O)N1CCOC2(CCCC2)C1 ZINC000844202882 588173920 /nfs/dbraw/zinc/17/39/20/588173920.db2.gz PACJGLDVGDCDFX-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN O=C1O[C@@H](CN2CCC[C@@H](O)C2)CN1C1CC1 ZINC000844273274 588178709 /nfs/dbraw/zinc/17/87/09/588178709.db2.gz TZRWWHAPSJSCNQ-MNOVXSKESA-N 0 3 240.303 0.426 20 0 BCADHN C[C@@H](O)CCN(C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844299546 588182385 /nfs/dbraw/zinc/18/23/85/588182385.db2.gz HYRPWPUCSRJZCY-MWLCHTKSSA-N 0 3 242.319 0.672 20 0 BCADHN C[C@H]1CCOCCN1C[C@@H]1CCC(=O)N1 ZINC000844312568 588183644 /nfs/dbraw/zinc/18/36/44/588183644.db2.gz CIVCTMHMQDKNGT-UWVGGRQHSA-N 0 3 212.293 0.376 20 0 BCADHN CN(CCCO)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844323876 588185243 /nfs/dbraw/zinc/18/52/43/588185243.db2.gz REMKKDNYSRBKIU-JTQLQIEISA-N 0 3 228.292 0.284 20 0 BCADHN CN1CCC[C@@H]1CN[C@@]1(C)CCOC1=O ZINC000844332172 588185603 /nfs/dbraw/zinc/18/56/03/588185603.db2.gz PTFIJEUOHOMTGQ-KOLCDFICSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844336927 588185791 /nfs/dbraw/zinc/18/57/91/588185791.db2.gz BHWOVIPKVQPNRG-DVVUODLYSA-N 0 3 240.303 0.425 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844336931 588185912 /nfs/dbraw/zinc/18/59/12/588185912.db2.gz BHWOVIPKVQPNRG-FBIMIBRVSA-N 0 3 240.303 0.425 20 0 BCADHN CCN(C[C@H]1CN(C2CC2)C(=O)O1)[C@@H](C)CO ZINC000844331517 588185969 /nfs/dbraw/zinc/18/59/69/588185969.db2.gz KJVVCQIRJBMTQT-ONGXEEELSA-N 0 3 242.319 0.672 20 0 BCADHN CCN(C[C@H]1CN(C2CC2)C(=O)O1)[C@H](C)CO ZINC000844331515 588186096 /nfs/dbraw/zinc/18/60/96/588186096.db2.gz KJVVCQIRJBMTQT-KOLCDFICSA-N 0 3 242.319 0.672 20 0 BCADHN CCC[C@H](C)[C@@H](CO)NCC1OCCO1 ZINC000844375480 588188227 /nfs/dbraw/zinc/18/82/27/588188227.db2.gz QSHSJAHCXMZKKP-VHSXEESVSA-N 0 3 217.309 0.746 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1CCC(C)=O ZINC000844403367 588189982 /nfs/dbraw/zinc/18/99/82/588189982.db2.gz ZENVZMHGSBHFGK-NXEZZACHSA-N 0 3 201.266 0.047 20 0 BCADHN C[C@@H](CCO)N(C)C[C@@H](O)c1ccc(F)cn1 ZINC000844449058 588195100 /nfs/dbraw/zinc/19/51/00/588195100.db2.gz IGSRMJDHNCETOY-JOYOIKCWSA-N 0 3 242.294 0.957 20 0 BCADHN C[C@@H](CCO)N(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000844449925 588195267 /nfs/dbraw/zinc/19/52/67/588195267.db2.gz MMZGNXUMSAGJHU-UWVGGRQHSA-N 0 3 227.304 0.785 20 0 BCADHN CSC[C@H](O)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844461017 588196540 /nfs/dbraw/zinc/19/65/40/588196540.db2.gz ZHABDJZLRJSUFK-PRJMDXOYSA-N 0 3 223.288 0.907 20 0 BCADHN CN(C)CCNC(=S)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000844579714 588204346 /nfs/dbraw/zinc/20/43/46/588204346.db2.gz WZXLNGBBQAQPHV-BBBLOLIVSA-N 0 3 243.376 0.332 20 0 BCADHN COC/C(C)=C\C(=O)NC1CCN(C)CC1 ZINC000845104989 588221595 /nfs/dbraw/zinc/22/15/95/588221595.db2.gz PVOBKRZWTTVULN-NTMALXAHSA-N 0 3 226.320 0.790 20 0 BCADHN COC/C(C)=C\C(=O)NCC1=CCN(C)CC1 ZINC000845916633 588250550 /nfs/dbraw/zinc/25/05/50/588250550.db2.gz OQVOOAQUTLSRDD-FLIBITNWSA-N 0 3 238.331 0.957 20 0 BCADHN CCON(C)C(=O)CNC[C@@H]1C[C@@H]1C ZINC000846064427 588255165 /nfs/dbraw/zinc/25/51/65/588255165.db2.gz MFIQDDPUNWZHSF-IUCAKERBSA-N 0 3 200.282 0.642 20 0 BCADHN CCON(C)C(=O)CNC[C@@H]1CCSC1 ZINC000846065178 588255215 /nfs/dbraw/zinc/25/52/15/588255215.db2.gz UXFARUYOAYYAJC-VIFPVBQESA-N 0 3 232.349 0.739 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CSC[C@H]1C ZINC000846065945 588255410 /nfs/dbraw/zinc/25/54/10/588255410.db2.gz YLKLTFRVMHJZQF-BDAKNGLRSA-N 0 3 232.349 0.737 20 0 BCADHN NC(=O)[C@H]1C[C@@H](N[C@@H]2CCCc3n[nH]cc32)C1 ZINC000846193179 588259793 /nfs/dbraw/zinc/25/97/93/588259793.db2.gz KNAARFDDIWDRQZ-KHQFGBGNSA-N 0 3 234.303 0.641 20 0 BCADHN COC(=O)[C@@H]1CNCCCN1C/C=C\Cl ZINC000846221355 588261030 /nfs/dbraw/zinc/26/10/30/588261030.db2.gz XPMCSCVIGIDRKP-MDHMXLOGSA-N 0 3 232.711 0.576 20 0 BCADHN COC(=O)[C@H]1CNCCCN1C/C=C\Cl ZINC000846221352 588261307 /nfs/dbraw/zinc/26/13/07/588261307.db2.gz XPMCSCVIGIDRKP-FIFYQCSRSA-N 0 3 232.711 0.576 20 0 BCADHN CN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000846609689 588279619 /nfs/dbraw/zinc/27/96/19/588279619.db2.gz SASOCZWYIAFASQ-YIZRAAEISA-N 0 3 230.258 0.804 20 0 BCADHN CO[C@H](C)CC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000846646854 588280388 /nfs/dbraw/zinc/28/03/88/588280388.db2.gz HKECLPOYMXHXPP-SECBINFHSA-N 0 3 230.308 0.553 20 0 BCADHN COc1cncc(NC(=O)[C@@H]2CCN(C)C2)n1 ZINC000846663302 588281568 /nfs/dbraw/zinc/28/15/68/588281568.db2.gz RPMNHARWHYWQBK-MRVPVSSYSA-N 0 3 236.275 0.375 20 0 BCADHN O=C(N[C@@H]1CC=CCC1)[C@]1(F)CCNC1 ZINC000846684745 588282497 /nfs/dbraw/zinc/28/24/97/588282497.db2.gz VYDAVDDQEWTKLM-KOLCDFICSA-N 0 3 212.268 0.913 20 0 BCADHN CC(C)(N)C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000846683525 588282509 /nfs/dbraw/zinc/28/25/09/588282509.db2.gz IZVDSHDEUFTXRG-LLVKDONJSA-N 0 3 242.344 0.809 20 0 BCADHN CC(C)(N)C(=O)NC[C@@](C)(O)c1ccco1 ZINC000846686458 588282545 /nfs/dbraw/zinc/28/25/45/588282545.db2.gz JKNBSUSTTXRUHB-LLVKDONJSA-N 0 3 226.276 0.341 20 0 BCADHN CCNCC(=O)NC[C@@H](C)CC(=O)OCC ZINC000846681078 588282713 /nfs/dbraw/zinc/28/27/13/588282713.db2.gz ODUNMIQEKWPAGC-VIFPVBQESA-N 0 3 230.308 0.301 20 0 BCADHN C[C@@]1(CCNC(=O)CN)C[C@@]1(F)Cl ZINC000846688076 588282742 /nfs/dbraw/zinc/28/27/42/588282742.db2.gz QZIVONXYFDKQFI-SFYZADRCSA-N 0 3 208.664 0.766 20 0 BCADHN CC[C@H](N)C(=O)NC[C@](C)(O)c1ccco1 ZINC000846687148 588282898 /nfs/dbraw/zinc/28/28/98/588282898.db2.gz NLPMNNXDIIQXOG-KWQFWETISA-N 0 3 226.276 0.341 20 0 BCADHN CC(C)O[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000846687865 588282907 /nfs/dbraw/zinc/28/29/07/588282907.db2.gz IXVYSJIQLXQAJI-MXWKQRLJSA-N 0 3 226.320 0.750 20 0 BCADHN O=C(C1CCN(C2CC2)CC1)N1CCCCN1 ZINC000846685089 588282916 /nfs/dbraw/zinc/28/29/16/588282916.db2.gz ZUDFHOSMEJHPFB-UHFFFAOYSA-N 0 3 237.347 0.988 20 0 BCADHN CC(C)[C@H](N)C(=O)NC[C@@](C)(O)c1ccco1 ZINC000846685793 588283003 /nfs/dbraw/zinc/28/30/03/588283003.db2.gz GMHXVGLSJQALQP-CMPLNLGQSA-N 0 3 240.303 0.587 20 0 BCADHN COCc1ccnc(NC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000846700999 588283350 /nfs/dbraw/zinc/28/33/50/588283350.db2.gz MULPJFLTFIFXCF-BDAKNGLRSA-N 0 3 221.260 0.514 20 0 BCADHN CCN(C(=O)[C@@H]1C[C@@H]1N)[C@@H]1CCCOC1 ZINC000846696406 588283502 /nfs/dbraw/zinc/28/35/02/588283502.db2.gz GCHOTRMCKOSFCH-BBBLOLIVSA-N 0 3 212.293 0.361 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)CC(F)(F)CN ZINC000846718736 588284154 /nfs/dbraw/zinc/28/41/54/588284154.db2.gz YFAGULSVUSQJKO-SECBINFHSA-N 0 3 249.305 0.571 20 0 BCADHN CCCNC(=O)CCCN1CCN(C)CC1 ZINC000846772303 588287218 /nfs/dbraw/zinc/28/72/18/588287218.db2.gz RQFUOQYKLHBMJQ-UHFFFAOYSA-N 0 3 227.352 0.540 20 0 BCADHN CCN1C[C@@H](CN(C)C2CC(O)C2)OC1=O ZINC000846858856 588293587 /nfs/dbraw/zinc/29/35/87/588293587.db2.gz IDXUPACRCPDJRD-UDNWOFFPSA-N 0 3 228.292 0.282 20 0 BCADHN CN(C)C(=O)CCCN1C[C@H]2C[C@@]2(CO)C1 ZINC000846868525 588294507 /nfs/dbraw/zinc/29/45/07/588294507.db2.gz SCRDKXNEJXUVRW-PWSUYJOCSA-N 0 3 226.320 0.169 20 0 BCADHN Cn1cncc1CCCN1C[C@H]2C[C@@]2(CO)C1 ZINC000846868840 588294539 /nfs/dbraw/zinc/29/45/39/588294539.db2.gz TXBWHADDKARZGN-YPMHNXCESA-N 0 3 235.331 0.667 20 0 BCADHN O[C@H](CN1CCN(c2ncc[nH]2)CC1)C1CC1 ZINC000846876354 588294780 /nfs/dbraw/zinc/29/47/80/588294780.db2.gz QMEOORZEITWFRZ-LLVKDONJSA-N 0 3 236.319 0.303 20 0 BCADHN CCN1C[C@H](CN(C)C[C@@H](C)OC)OC1=O ZINC000846901739 588295745 /nfs/dbraw/zinc/29/57/45/588295745.db2.gz ABZSGHXCORIXDH-ZJUUUORDSA-N 0 3 230.308 0.794 20 0 BCADHN CN(C)C(=O)CCCN1CCCN(C=O)CC1 ZINC000846913742 588296197 /nfs/dbraw/zinc/29/61/97/588296197.db2.gz FOWRJSAVSUCSLP-UHFFFAOYSA-N 0 3 241.335 0.019 20 0 BCADHN CCN(C[C@@H]1CN(CC)C(=O)O1)[C@H](C)CO ZINC000846917038 588296607 /nfs/dbraw/zinc/29/66/07/588296607.db2.gz FJMZAYYBVFZYSI-NXEZZACHSA-N 0 3 230.308 0.530 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2Cc2cnsn2)C1 ZINC000846919805 588296895 /nfs/dbraw/zinc/29/68/95/588296895.db2.gz RUOBWEPOYNHWMC-WPRPVWTQSA-N 0 3 224.333 0.674 20 0 BCADHN CON1CCN(C[C@H]2CCOC2)CC1 ZINC000846975617 588299383 /nfs/dbraw/zinc/29/93/83/588299383.db2.gz HPQJGPRSACJIBW-SNVBAGLBSA-N 0 3 200.282 0.202 20 0 BCADHN CON1CCN(CCCCCCO)CC1 ZINC000846974715 588299495 /nfs/dbraw/zinc/29/94/95/588299495.db2.gz CNDMNBQHHMUXHQ-UHFFFAOYSA-N 0 3 216.325 0.718 20 0 BCADHN CCN1C[C@H](CN(C)[C@@H](C)CCO)OC1=O ZINC000847015904 588301723 /nfs/dbraw/zinc/30/17/23/588301723.db2.gz YKZQMFHADRIBHY-UWVGGRQHSA-N 0 3 230.308 0.530 20 0 BCADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCCN(C)C1 ZINC000847447637 588313946 /nfs/dbraw/zinc/31/39/46/588313946.db2.gz FZMVHWDLDKVHKP-MRVPVSSYSA-N 0 3 238.291 0.248 20 0 BCADHN CCO/C=C/C(=O)N[C@@H]1CCCN(C)C1 ZINC000847448337 588314008 /nfs/dbraw/zinc/31/40/08/588314008.db2.gz OOQTUBQQWTZDLW-QEHWCHDUSA-N 0 3 212.293 0.747 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1C[C@H](C)OC1=O ZINC000848078347 588355171 /nfs/dbraw/zinc/35/51/71/588355171.db2.gz SCSRUGOHZMGBFW-IUCAKERBSA-N 0 3 228.292 0.148 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccc(Cl)nc1 ZINC000848396509 588377202 /nfs/dbraw/zinc/37/72/02/588377202.db2.gz QZVFVALJQILKPA-ZETCQYMHSA-N 0 3 227.695 0.959 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@H]1COc2ccccc2C1 ZINC000848396214 588377423 /nfs/dbraw/zinc/37/74/23/588377423.db2.gz JNNAGNNULCUADE-QWRGUYRKSA-N 0 3 248.326 0.962 20 0 BCADHN CCc1cc(CNC(=O)[C@H](C)NC)[nH]n1 ZINC000848399165 588377443 /nfs/dbraw/zinc/37/74/43/588377443.db2.gz KWZROPPFIWLIHU-ZETCQYMHSA-N 0 3 210.281 0.196 20 0 BCADHN CN[C@@H](C)C(=O)NCC[C@@H](O)c1ccccc1 ZINC000848404163 588378065 /nfs/dbraw/zinc/37/80/65/588378065.db2.gz FWHHCCQLBKDMIK-CMPLNLGQSA-N 0 3 236.315 0.834 20 0 BCADHN COc1c(C)cccc1CNC(=O)[C@@H]1C[C@@H]1N ZINC000848430900 588384270 /nfs/dbraw/zinc/38/42/70/588384270.db2.gz DJPYIYKHZAQILO-MNOVXSKESA-N 0 3 234.299 0.967 20 0 BCADHN NC[C@@H](NC(=O)c1ccc(N)cc1)C(F)(F)F ZINC000848436267 588384765 /nfs/dbraw/zinc/38/47/65/588384765.db2.gz LEJXVHIPQHYHDE-MRVPVSSYSA-N 0 3 247.220 0.888 20 0 BCADHN CC[C@H](NC(=O)[C@@H]1C[C@@H]1N)[C@@H]1CCCCO1 ZINC000848442693 588385263 /nfs/dbraw/zinc/38/52/63/588385263.db2.gz HKJZHXVTEHERBB-RCWTZXSCSA-N 0 3 226.320 0.798 20 0 BCADHN COC[C@@](C)(O)CNCc1cnc(Cl)n1C ZINC000848535270 588393743 /nfs/dbraw/zinc/39/37/43/588393743.db2.gz FOULFEKCIYNOET-JTQLQIEISA-N 0 3 247.726 0.561 20 0 BCADHN Cn1c(CNC[C@]2(O)CCOC2)cnc1Cl ZINC000848544863 588394846 /nfs/dbraw/zinc/39/48/46/588394846.db2.gz OZMGGVXJPXGOKB-SNVBAGLBSA-N 0 3 245.710 0.315 20 0 BCADHN Cn1c(Cl)ncc1CNCCCCO ZINC000848550903 588395811 /nfs/dbraw/zinc/39/58/11/588395811.db2.gz YKSATPMWTFGATA-UHFFFAOYSA-N 0 3 217.700 0.936 20 0 BCADHN CO[C@H](C)[C@@H](C)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848568961 588398294 /nfs/dbraw/zinc/39/82/94/588398294.db2.gz BKDUGDHNONPJMG-KKZNHRDASA-N 0 3 242.319 0.983 20 0 BCADHN CO[C@H](C)[C@@H](C)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848568959 588398401 /nfs/dbraw/zinc/39/84/01/588398401.db2.gz BKDUGDHNONPJMG-FXPVBKGRSA-N 0 3 242.319 0.983 20 0 BCADHN O=C1O[C@H](CNCc2cn[nH]c2)CN1C1CC1 ZINC000848577371 588398638 /nfs/dbraw/zinc/39/86/38/588398638.db2.gz DVQPWOCSYYTBDD-SNVBAGLBSA-N 0 3 236.275 0.483 20 0 BCADHN CC[C@H](COC)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848572355 588398790 /nfs/dbraw/zinc/39/87/90/588398790.db2.gz UQJFPZSANKYJPT-KOLCDFICSA-N 0 3 242.319 0.984 20 0 BCADHN CC[C@@H](COC)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848572354 588398995 /nfs/dbraw/zinc/39/89/95/588398995.db2.gz UQJFPZSANKYJPT-GXSJLCMTSA-N 0 3 242.319 0.984 20 0 BCADHN C[C@@H]1C[C@@H](NC[C@@H]2CN(C3CC3)C(=O)O2)CO1 ZINC000848574882 588399083 /nfs/dbraw/zinc/39/90/83/588399083.db2.gz XMEIUYCBFUERQL-FXPVBKGRSA-N 0 3 240.303 0.737 20 0 BCADHN CON(C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000848597646 588401528 /nfs/dbraw/zinc/40/15/28/588401528.db2.gz QSIRBBRDRHSZQT-BYPYZUCNSA-N 0 3 215.175 0.079 20 0 BCADHN CC(C)NC(=S)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848649941 588403944 /nfs/dbraw/zinc/40/39/44/588403944.db2.gz HWULHZXXCAQUMS-VHSXEESVSA-N 0 3 243.376 0.020 20 0 BCADHN CN(C)CCn1cc(Cn2cccn2)nn1 ZINC000849136185 588454025 /nfs/dbraw/zinc/45/40/25/588454025.db2.gz DFMPANCXTSFVQX-UHFFFAOYSA-N 0 3 220.280 0.085 20 0 BCADHN CN(C)CCn1cc(CC2(O)CCC2)nn1 ZINC000849138125 588454366 /nfs/dbraw/zinc/45/43/66/588454366.db2.gz YLVZBBFXTNRVPH-UHFFFAOYSA-N 0 3 224.308 0.297 20 0 BCADHN CCN(CC)CCOC(=O)c1cnn(C)c1 ZINC000849168226 588459222 /nfs/dbraw/zinc/45/92/22/588459222.db2.gz QIBJXJJNSPHZFQ-UHFFFAOYSA-N 0 3 225.292 0.919 20 0 BCADHN Fc1ccc(OC[C@H]2CNCCO2)cn1 ZINC000849240113 588464201 /nfs/dbraw/zinc/46/42/01/588464201.db2.gz FTTQWHIKZUXNJL-SECBINFHSA-N 0 3 212.224 0.588 20 0 BCADHN CN1CCCN(C(=S)NCC2CC2)CC1 ZINC000849250723 588464895 /nfs/dbraw/zinc/46/48/95/588464895.db2.gz BZLFUKJUWSVKSG-UHFFFAOYSA-N 0 3 227.377 0.908 20 0 BCADHN COC[C@H](C)NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000849333878 588473558 /nfs/dbraw/zinc/47/35/58/588473558.db2.gz QTXHLPWURGCDSK-HBNTYKKESA-N 0 3 241.335 0.367 20 0 BCADHN CC1C(=O)N(C)S(=O)(=O)N1CCC1CCC1 ZINC000849896517 588508563 /nfs/dbraw/zinc/50/85/63/588508563.db2.gz YURBQPDCTKRYGB-QMMMGPOBSA-N 0 3 246.332 0.584 20 0 BCADHN c1nn2c(c1CNC[C@@H]1COCCO1)CCC2 ZINC000850039694 588515123 /nfs/dbraw/zinc/51/51/23/588515123.db2.gz YTJMBOLSDMWIHR-LLVKDONJSA-N 0 3 237.303 0.334 20 0 BCADHN CC[C@H]1C[C@H](NC2CN(C(=O)OC)C2)CO1 ZINC000850198629 588527124 /nfs/dbraw/zinc/52/71/24/588527124.db2.gz KPFMHFRMQFAEIR-WPRPVWTQSA-N 0 3 228.292 0.594 20 0 BCADHN CC[C@@H]1C[C@H](NC2CN(C(=O)OC)C2)CO1 ZINC000850198628 588527360 /nfs/dbraw/zinc/52/73/60/588527360.db2.gz KPFMHFRMQFAEIR-WCBMZHEXSA-N 0 3 228.292 0.594 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCC1(C)OCCO1 ZINC000850234202 588530490 /nfs/dbraw/zinc/53/04/90/588530490.db2.gz RMJTXIUCVSOPQS-IVZWLZJFSA-N 0 3 243.303 0.537 20 0 BCADHN Cc1ncc(CNCCCc2cnn(C)n2)n1C ZINC000850310266 588535899 /nfs/dbraw/zinc/53/58/99/588535899.db2.gz DQZVQCYGTJZJTC-UHFFFAOYSA-N 0 3 248.334 0.579 20 0 BCADHN COc1cncc(CNC[C@@]2(C)CCC(=O)N2)c1 ZINC000850319072 588536625 /nfs/dbraw/zinc/53/66/25/588536625.db2.gz GGGDYPTUVMLBHH-CYBMUJFWSA-N 0 3 249.314 0.849 20 0 BCADHN COc1cncc(CNC[C@@H]2CCCNC2=O)c1 ZINC000850323358 588536917 /nfs/dbraw/zinc/53/69/17/588536917.db2.gz BOBFRFCOXJHSRR-NSHDSACASA-N 0 3 249.314 0.706 20 0 BCADHN Cc1nc(F)ccc1CNC[C@@H]1CCC(=O)N1 ZINC000850388405 588543163 /nfs/dbraw/zinc/54/31/63/588543163.db2.gz AUQMSVNHGMOTHF-JTQLQIEISA-N 0 3 237.278 0.897 20 0 BCADHN Cn1cnc(CNC[C@@H](CO)CC2CC2)c1 ZINC000850388231 588543492 /nfs/dbraw/zinc/54/34/92/588543492.db2.gz KBGWFDDNRORUDR-NSHDSACASA-N 0 3 223.320 0.918 20 0 BCADHN CCn1ncc(CNCC2CCC(O)CC2)n1 ZINC000850394931 588543823 /nfs/dbraw/zinc/54/38/23/588543823.db2.gz JENSWQAUCQDDDI-UHFFFAOYSA-N 0 3 238.335 0.939 20 0 BCADHN C[C@H](O)c1ncc(CN[C@H]2C[C@H](O)C2)s1 ZINC000850417916 588545125 /nfs/dbraw/zinc/54/51/25/588545125.db2.gz QXZMXGISDPJIKV-FXQIFTODSA-N 0 3 228.317 0.809 20 0 BCADHN C[C@H](Cn1cncn1)NCC1(C)OCCO1 ZINC000850447522 588547384 /nfs/dbraw/zinc/54/73/84/588547384.db2.gz GUXSPIOURWCRGJ-SECBINFHSA-N 0 3 226.280 0.019 20 0 BCADHN C[C@@H](Cn1cncn1)NC1COC(C)(C)OC1 ZINC000850461786 588548160 /nfs/dbraw/zinc/54/81/60/588548160.db2.gz NSSZUFIGWJSWDP-VIFPVBQESA-N 0 3 240.307 0.408 20 0 BCADHN CON(C)CCN[C@H](C)c1c[nH]nc1C ZINC000850478986 588548216 /nfs/dbraw/zinc/54/82/16/588548216.db2.gz JIYCNHRBLIXTDM-MRVPVSSYSA-N 0 3 212.297 0.862 20 0 BCADHN CON(C)CCN[C@@H]1CCCn2nccc21 ZINC000850478141 588549472 /nfs/dbraw/zinc/54/94/72/588549472.db2.gz ORAXSTDNKGMALH-SNVBAGLBSA-N 0 3 224.308 0.801 20 0 BCADHN CON(C)CCN[C@H]1CCCc2nn(C)cc21 ZINC000850476795 588549584 /nfs/dbraw/zinc/54/95/84/588549584.db2.gz AJDXEAIQFVXNEF-NSHDSACASA-N 0 3 238.335 0.880 20 0 BCADHN CON(C)CCN[C@H]1CCCc2n[nH]cc21 ZINC000850478207 588550200 /nfs/dbraw/zinc/55/02/00/588550200.db2.gz PVUWRCDOFGUWAU-JTQLQIEISA-N 0 3 224.308 0.870 20 0 BCADHN COCc1nnc(C[NH2+][C@@H]2CC[C@H]2C)[n-]1 ZINC000850514853 588555796 /nfs/dbraw/zinc/55/57/96/588555796.db2.gz QQYQBRDKKMSGRT-HTQZYQBOSA-N 0 3 210.281 0.839 20 0 BCADHN COC1CC(CCNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000851641064 588611459 /nfs/dbraw/zinc/61/14/59/588611459.db2.gz JTMJJZXOVOJHFF-BMNUFHGDSA-N 0 3 212.293 0.265 20 0 BCADHN CCNCC(=O)NCCc1cnccc1C ZINC000851641243 588612520 /nfs/dbraw/zinc/61/25/20/588612520.db2.gz IUJPEUPMBHHTSE-UHFFFAOYSA-N 0 3 221.304 0.658 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C[C@H](C)O1 ZINC000851646028 588612715 /nfs/dbraw/zinc/61/27/15/588612715.db2.gz TWSPFEFFAKJRGV-RGOKHQFPSA-N 0 3 212.293 0.360 20 0 BCADHN C[C@H](N)C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000851644777 588612867 /nfs/dbraw/zinc/61/28/67/588612867.db2.gz WQVFOIMWXCQBKJ-OOZYFLPDSA-N 0 3 234.246 0.264 20 0 BCADHN COc1ccnc(CNC(=O)[C@@H]2C[C@@H]2N)c1F ZINC000851644384 588612914 /nfs/dbraw/zinc/61/29/14/588612914.db2.gz PEVUNRGFJFEGSQ-RQJHMYQMSA-N 0 3 239.250 0.193 20 0 BCADHN C[C@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2N)O1 ZINC000851644796 588612948 /nfs/dbraw/zinc/61/29/48/588612948.db2.gz XJVKFQJIOGGOHV-QEYWKRMJSA-N 0 3 212.293 0.407 20 0 BCADHN N[C@@H]1CN(C(=O)NCc2ccon2)CC[C@H]1F ZINC000851657820 588613273 /nfs/dbraw/zinc/61/32/73/588613273.db2.gz NMCZNSUGZQQXIX-RKDXNWHRSA-N 0 3 242.254 0.255 20 0 BCADHN CNC(=O)C1CCN(CCOC(F)F)CC1 ZINC000851716457 588616211 /nfs/dbraw/zinc/61/62/11/588616211.db2.gz CCANSRAEYJPKKG-UHFFFAOYSA-N 0 3 236.262 0.684 20 0 BCADHN CN1CCCN(CCOC(F)F)CC1 ZINC000851720436 588617102 /nfs/dbraw/zinc/61/71/02/588617102.db2.gz JWLISYXLBGDDES-UHFFFAOYSA-N 0 3 208.252 0.863 20 0 BCADHN CC1(C)OC[C@@H](CN2CCC[C@@H](CO)C2)O1 ZINC000851720388 588617403 /nfs/dbraw/zinc/61/74/03/588617403.db2.gz IFJPPUIQGLICLT-GHMZBOCLSA-N 0 3 229.320 0.842 20 0 BCADHN COCCN1CCN([C@@H]2CC[C@H](OC)C2)CC1 ZINC000851724583 588617457 /nfs/dbraw/zinc/61/74/57/588617457.db2.gz AUQMIPIOPAFZBH-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN CC1(C)OC[C@@H](CCN2CCC(O)CC2)O1 ZINC000851722586 588617625 /nfs/dbraw/zinc/61/76/25/588617625.db2.gz OILXZECPWVOAFF-LLVKDONJSA-N 0 3 229.320 0.985 20 0 BCADHN CNC(=O)CN(C)[C@H]1CC[C@@H](OC)C1 ZINC000851725814 588618041 /nfs/dbraw/zinc/61/80/41/588618041.db2.gz IOGNUXVFNSHJAD-DTWKUNHWSA-N 0 3 200.282 0.232 20 0 BCADHN CNC(=O)CN(C)[C@H]1CC[C@H](OC)C1 ZINC000851725815 588618183 /nfs/dbraw/zinc/61/81/83/588618183.db2.gz IOGNUXVFNSHJAD-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN COC(=O)[C@H](C)CN(C)C[C@H]1CCC(=O)O1 ZINC000851728245 588618510 /nfs/dbraw/zinc/61/85/10/588618510.db2.gz JPZYOTXFNIEEKD-RKDXNWHRSA-N 0 3 229.276 0.433 20 0 BCADHN CN(C[C@](O)(C(N)=O)c1ccccc1)C1CC1 ZINC000851727578 588618539 /nfs/dbraw/zinc/61/85/39/588618539.db2.gz RHLIAIPDVXDHQI-CYBMUJFWSA-N 0 3 234.299 0.454 20 0 BCADHN CCCN(CCO)C[C@@H](O)c1ccccn1 ZINC000851730112 588618772 /nfs/dbraw/zinc/61/87/72/588618772.db2.gz VHOFMYXVWPNJRG-GFCCVEGCSA-N 0 3 224.304 0.819 20 0 BCADHN O=C1CC[C@H](CN2CCCC[C@@H]2CO)O1 ZINC000851729358 588618879 /nfs/dbraw/zinc/61/88/79/588618879.db2.gz LXSXDTZNWFVLQT-NXEZZACHSA-N 0 3 213.277 0.539 20 0 BCADHN CC1(C)OC[C@H](CN2CCCC[C@@H]2CO)O1 ZINC000851729859 588618965 /nfs/dbraw/zinc/61/89/65/588618965.db2.gz QRDIEQDQKNVENG-MNOVXSKESA-N 0 3 229.320 0.985 20 0 BCADHN CN(C[C@@H]1COC(C)(C)O1)[C@H]1CCOC1 ZINC000851761971 588624706 /nfs/dbraw/zinc/62/47/06/588624706.db2.gz GGAHXFHXSWDUNV-VHSXEESVSA-N 0 3 215.293 0.859 20 0 BCADHN CN(CCn1cccn1)C[C@@H]1COC(C)(C)O1 ZINC000851769496 588625370 /nfs/dbraw/zinc/62/53/70/588625370.db2.gz LSJMJZIEMVTEEI-LLVKDONJSA-N 0 3 239.319 0.966 20 0 BCADHN CN(CCN1CCCC1)Cc1cnon1 ZINC000851770560 588625492 /nfs/dbraw/zinc/62/54/92/588625492.db2.gz QMQJJMLVWCGTOO-UHFFFAOYSA-N 0 3 210.281 0.597 20 0 BCADHN C[C@H](O)CN(C)C[C@H]1COC(C)(C)O1 ZINC000851782978 588627968 /nfs/dbraw/zinc/62/79/68/588627968.db2.gz GBTZGRACYDFQFI-IUCAKERBSA-N 0 3 203.282 0.451 20 0 BCADHN CC1(C)OC[C@@H](CN2CC[C@@H](CO)C2)O1 ZINC000851781548 588628135 /nfs/dbraw/zinc/62/81/35/588628135.db2.gz ZZONKIIFDYYYRR-NXEZZACHSA-N 0 3 215.293 0.452 20 0 BCADHN CCC1(O)CCN(C[C@H]2CCC(=O)O2)CC1 ZINC000851785334 588628145 /nfs/dbraw/zinc/62/81/45/588628145.db2.gz PVJPJWFIYPDZQB-SNVBAGLBSA-N 0 3 227.304 0.929 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)C[C@H]1CCC(=O)O1 ZINC000851797944 588629717 /nfs/dbraw/zinc/62/97/17/588629717.db2.gz NICXLWDGDRBQBK-DTWKUNHWSA-N 0 3 228.292 0.006 20 0 BCADHN CNC(=O)[C@H](C)CN(C)C[C@@H]1CCC(=O)O1 ZINC000851797943 588629853 /nfs/dbraw/zinc/62/98/53/588629853.db2.gz NICXLWDGDRBQBK-BDAKNGLRSA-N 0 3 228.292 0.006 20 0 BCADHN CO[C@H]1CCN(C[C@@H]2COC(C)(C)O2)C1 ZINC000851798722 588630404 /nfs/dbraw/zinc/63/04/04/588630404.db2.gz HBWRDUKMJFNHKF-VHSXEESVSA-N 0 3 215.293 0.859 20 0 BCADHN CC1(C)OC[C@@H](CN2CC[C@](C)(O)C2)O1 ZINC000851800991 588630674 /nfs/dbraw/zinc/63/06/74/588630674.db2.gz XUTDZKQCGQOAKB-KOLCDFICSA-N 0 3 215.293 0.595 20 0 BCADHN O=C1CC[C@@H](CN2CCSC[C@H]2CCO)O1 ZINC000851810135 588632067 /nfs/dbraw/zinc/63/20/67/588632067.db2.gz XJWNILYHCPCUGS-ZJUUUORDSA-N 0 3 245.344 0.492 20 0 BCADHN CN(C[C@H]1COC(C)(C)O1)CC(C)(CO)CO ZINC000851819494 588633497 /nfs/dbraw/zinc/63/34/97/588633497.db2.gz WCOSTRQVZOYYHQ-JTQLQIEISA-N 0 3 247.335 0.061 20 0 BCADHN CNC(=O)CCCN(C)C[C@H]1COC(C)(C)O1 ZINC000851865597 588636453 /nfs/dbraw/zinc/63/64/53/588636453.db2.gz CURLZPDZBUCWBN-JTQLQIEISA-N 0 3 244.335 0.596 20 0 BCADHN COC[C@H](CN1CCOC[C@H](C)C1)OC ZINC000851865809 588636534 /nfs/dbraw/zinc/63/65/34/588636534.db2.gz IHTQWENRSNNDFD-MNOVXSKESA-N 0 3 217.309 0.616 20 0 BCADHN C[C@@H](CO)N(C)C[C@H]1COC(C)(C)O1 ZINC000851866219 588636797 /nfs/dbraw/zinc/63/67/97/588636797.db2.gz KABZBIWGNFUCLS-IUCAKERBSA-N 0 3 203.282 0.451 20 0 BCADHN COC[C@@H](CN1CCOC[C@H](C)C1)OC ZINC000851865806 588636851 /nfs/dbraw/zinc/63/68/51/588636851.db2.gz IHTQWENRSNNDFD-GHMZBOCLSA-N 0 3 217.309 0.616 20 0 BCADHN COC[C@H](CN1CCN(C)[C@@H](C)C1)OC ZINC000851876438 588638397 /nfs/dbraw/zinc/63/83/97/588638397.db2.gz FCIXGSXXXYPRQR-QWRGUYRKSA-N 0 3 216.325 0.284 20 0 BCADHN CC[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@@H]1O ZINC000851878661 588639203 /nfs/dbraw/zinc/63/92/03/588639203.db2.gz FCPMAECPFGUSJO-UTLUCORTSA-N 0 3 213.277 0.395 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C[C@@H](O)c1ccccn1 ZINC000851882508 588639594 /nfs/dbraw/zinc/63/95/94/588639594.db2.gz ZAJKFYYPUIVTIF-JFGNBEQYSA-N 0 3 222.288 0.570 20 0 BCADHN C[C@@H]1CCOCCN1C[C@@H]1CCC(=O)O1 ZINC000851907357 588642603 /nfs/dbraw/zinc/64/26/03/588642603.db2.gz TYUHWHWHZBAYGU-ZJUUUORDSA-N 0 3 213.277 0.803 20 0 BCADHN C[C@H]1CCOCCN1C[C@H]1CCC(=O)O1 ZINC000851907355 588642652 /nfs/dbraw/zinc/64/26/52/588642652.db2.gz TYUHWHWHZBAYGU-VHSXEESVSA-N 0 3 213.277 0.803 20 0 BCADHN C[C@H](NCCc1cn[nH]n1)c1cn[nH]c1 ZINC000851935108 588646035 /nfs/dbraw/zinc/64/60/35/588646035.db2.gz MAJQDFKZRRIFHG-ZETCQYMHSA-N 0 3 206.253 0.421 20 0 BCADHN CN(C[C@@H]1COC(C)(C)O1)CC1(O)CCC1 ZINC000851936968 588646038 /nfs/dbraw/zinc/64/60/38/588646038.db2.gz YUEHTXOEJWNJPB-SNVBAGLBSA-N 0 3 229.320 0.985 20 0 BCADHN CN(CCN(C)C1CC1)C[C@@H]1CCC(=O)O1 ZINC000851944844 588646795 /nfs/dbraw/zinc/64/67/95/588646795.db2.gz WCUQMUVZTLNLNL-NSHDSACASA-N 0 3 226.320 0.718 20 0 BCADHN CC[C@@]1(O)CCN(C[C@H]2CCC(=O)O2)C1 ZINC000851957364 588647713 /nfs/dbraw/zinc/64/77/13/588647713.db2.gz NMRWNPQFROCVNS-MWLCHTKSSA-N 0 3 213.277 0.539 20 0 BCADHN COC(CCN1CC[C@@H](C)C[C@@H]1C(N)=O)OC ZINC000851958239 588647812 /nfs/dbraw/zinc/64/78/12/588647812.db2.gz YYOCRCWWAAMACF-NXEZZACHSA-N 0 3 244.335 0.581 20 0 BCADHN OCC[C@@H]1CCCN1C[C@@H](O)c1ccccn1 ZINC000851956482 588648140 /nfs/dbraw/zinc/64/81/40/588648140.db2.gz FTNORCPTCZUKGI-WCQYABFASA-N 0 3 236.315 0.962 20 0 BCADHN CC1(C)OC[C@@H](CN(CCO)C2CCC2)O1 ZINC000851971449 588649391 /nfs/dbraw/zinc/64/93/91/588649391.db2.gz QLLRODHSQJCOTC-LLVKDONJSA-N 0 3 229.320 0.985 20 0 BCADHN C[C@H]1CCN(CCOC(F)F)[C@@H]1CO ZINC000851972436 588649647 /nfs/dbraw/zinc/64/96/47/588649647.db2.gz NQZQPHZBKJTLHJ-JGVFFNPUSA-N 0 3 209.236 0.928 20 0 BCADHN C[C@@H](O)CN(CCOC(F)F)[C@@H](C)CO ZINC000851973090 588650134 /nfs/dbraw/zinc/65/01/34/588650134.db2.gz VIVAWYZJRUUHLR-JGVFFNPUSA-N 0 3 227.251 0.289 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@@H]2CCC(=O)O2)[C@@H]1C ZINC000851974970 588650268 /nfs/dbraw/zinc/65/02/68/588650268.db2.gz MRXBILJOKQQBTL-KXUCPTDWSA-N 0 3 241.287 0.575 20 0 BCADHN C[C@H](CO)N(CCOC(F)F)C[C@H](C)O ZINC000851973091 588650271 /nfs/dbraw/zinc/65/02/71/588650271.db2.gz VIVAWYZJRUUHLR-SFYZADRCSA-N 0 3 227.251 0.289 20 0 BCADHN CO[C@H]1CC[C@@H](N2CCc3n[nH]nc3C2)C1 ZINC000851973667 588650284 /nfs/dbraw/zinc/65/02/84/588650284.db2.gz HJQFJIHEVZSQTN-BDAKNGLRSA-N 0 3 222.292 0.730 20 0 BCADHN CO[C@@H]1CN(C[C@H]2COC(C)(C)O2)C[C@@H]1OC ZINC000851982072 588651337 /nfs/dbraw/zinc/65/13/37/588651337.db2.gz CXUJDHRWXYYXAZ-GARJFASQSA-N 0 3 245.319 0.484 20 0 BCADHN C[C@@H]1C[C@H](C)N1C[C@](O)(C(N)=O)c1ccccc1 ZINC000851997314 588653597 /nfs/dbraw/zinc/65/35/97/588653597.db2.gz JVTHLEAHMVNDGI-UHIISALHSA-N 0 3 248.326 0.842 20 0 BCADHN CC1(C)CN(C[C@H]2CCC(=O)O2)C[C@H]1O ZINC000851998361 588653723 /nfs/dbraw/zinc/65/37/23/588653723.db2.gz SVFYDXWGTGQXMB-RKDXNWHRSA-N 0 3 213.277 0.395 20 0 BCADHN CN(C[C@@H]1CCC(=O)O1)[C@@H]1CCCOC1 ZINC000852041044 588657102 /nfs/dbraw/zinc/65/71/02/588657102.db2.gz YDZRCCDPLNFVNT-ZJUUUORDSA-N 0 3 213.277 0.803 20 0 BCADHN CC(C)[C@@](C)(NC[C@H]1CCC(=O)O1)C(N)=O ZINC000852040309 588657130 /nfs/dbraw/zinc/65/71/30/588657130.db2.gz JSAPQOKDVZOWRL-LDYMZIIASA-N 0 3 228.292 0.182 20 0 BCADHN CCN(C[C@@H]1CCC(=O)O1)[C@@H]1CCOC1 ZINC000852071186 588659136 /nfs/dbraw/zinc/65/91/36/588659136.db2.gz ZFTXIFJNDXKVAE-ZJUUUORDSA-N 0 3 213.277 0.803 20 0 BCADHN CCN(C[C@@H]1CCC(=O)O1)[C@H]1CCOC1 ZINC000852071184 588659551 /nfs/dbraw/zinc/65/95/51/588659551.db2.gz ZFTXIFJNDXKVAE-UWVGGRQHSA-N 0 3 213.277 0.803 20 0 BCADHN CN1C[C@@H]2CCN(C[C@H](O)c3ccccn3)[C@@H]2C1 ZINC000852074944 588659742 /nfs/dbraw/zinc/65/97/42/588659742.db2.gz GJXCTYVHVLADLQ-YUTCNCBUSA-N 0 3 247.342 0.751 20 0 BCADHN CO[C@H](CN1CCCN(C=O)CC1)C1CCC1 ZINC000852073562 588659761 /nfs/dbraw/zinc/65/97/61/588659761.db2.gz UVNWKQZVJGKFOT-CYBMUJFWSA-N 0 3 240.347 0.966 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCC(OC)OC)C[C@@H]21 ZINC000852077149 588660335 /nfs/dbraw/zinc/66/03/35/588660335.db2.gz ZWYFXZFHBNILBN-JZYVYDRUSA-N 0 3 243.303 0.346 20 0 BCADHN COC(CCN(C)[C@H]1CCC(=O)N(C)C1)OC ZINC000852087135 588660847 /nfs/dbraw/zinc/66/08/47/588660847.db2.gz XHRZFEIGGQUJRA-JTQLQIEISA-N 0 3 244.335 0.548 20 0 BCADHN O[C@H](CN1CCC[C@H](O)CC1)c1ccccn1 ZINC000852094217 588661197 /nfs/dbraw/zinc/66/11/97/588661197.db2.gz HYQXGEJSSGIJPA-WCQYABFASA-N 0 3 236.315 0.962 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@@H]1CCC(=O)O1 ZINC000852093362 588661209 /nfs/dbraw/zinc/66/12/09/588661209.db2.gz IROBBHVQGSNBLH-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN CCN(C[C@H](O)c1ccccn1)[C@@H](C)CO ZINC000852095051 588661855 /nfs/dbraw/zinc/66/18/55/588661855.db2.gz HSFULHBNNIJNTF-JQWIXIFHSA-N 0 3 224.304 0.818 20 0 BCADHN CC[C@@H](CO)N(C)C[C@H]1COC(C)(C)O1 ZINC000852096332 588662015 /nfs/dbraw/zinc/66/20/15/588662015.db2.gz AKTDQCNCCPUJON-UWVGGRQHSA-N 0 3 217.309 0.841 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1C[C@H]1CCC(=O)O1 ZINC000852123954 588665556 /nfs/dbraw/zinc/66/55/56/588665556.db2.gz XHKFKDYOTZHIMC-OPRDCNLKSA-N 0 3 213.277 0.537 20 0 BCADHN COC[C@@]1(CO)CCN(CCOC(F)F)C1 ZINC000852146177 588667078 /nfs/dbraw/zinc/66/70/78/588667078.db2.gz HTXBLDHEIDIYLO-JTQLQIEISA-N 0 3 239.262 0.556 20 0 BCADHN CO[C@@H]1CC[C@H](N[C@@H](CO)c2ccnn2C)C1 ZINC000852161188 588668653 /nfs/dbraw/zinc/66/86/53/588668653.db2.gz LLVFHNOIDOFESV-AXFHLTTASA-N 0 3 239.319 0.611 20 0 BCADHN COC(=O)CC1(NC[C@@H]2COC(C)(C)O2)CC1 ZINC000852210360 588672701 /nfs/dbraw/zinc/67/27/01/588672701.db2.gz CFGNFWIBAPHJKY-SECBINFHSA-N 0 3 243.303 0.823 20 0 BCADHN C[C@H](O)CN(C[C@H](O)c1ccccn1)C1CC1 ZINC000852218461 588673766 /nfs/dbraw/zinc/67/37/66/588673766.db2.gz IEKYRPBIQAOKHM-GWCFXTLKSA-N 0 3 236.315 0.960 20 0 BCADHN O=C1CCC2=C(CCN(CCn3cccn3)C2)N1 ZINC000852296567 588677061 /nfs/dbraw/zinc/67/70/61/588677061.db2.gz XVZHOMJJNPAITI-UHFFFAOYSA-N 0 3 246.314 0.753 20 0 BCADHN COCCN1CCC2=C(CCC(=O)N2)C1 ZINC000852297805 588677256 /nfs/dbraw/zinc/67/72/56/588677256.db2.gz NMZWXVAAIGOAJR-UHFFFAOYSA-N 0 3 210.277 0.503 20 0 BCADHN FC(F)OCCN1CC[C@H](Cn2ccnn2)C1 ZINC000852311955 588677985 /nfs/dbraw/zinc/67/79/85/588677985.db2.gz QBSXKORRZLKNHT-VIFPVBQESA-N 0 3 246.261 0.839 20 0 BCADHN OC[C@H](NCC1OCCO1)C1CCC1 ZINC000852320449 588678547 /nfs/dbraw/zinc/67/85/47/588678547.db2.gz LBVSWQKZWGLVHA-VIFPVBQESA-N 0 3 201.266 0.110 20 0 BCADHN C[C@@H](CNC(=O)N[C@H]1C=CCC1)N(C)C ZINC000852371857 588680263 /nfs/dbraw/zinc/68/02/63/588680263.db2.gz MHBSAHYPNKCVLW-UWVGGRQHSA-N 0 3 211.309 0.954 20 0 BCADHN CO[C@]1(CO)CCCN(C[C@H]2CCC(=O)O2)C1 ZINC000852408568 588680730 /nfs/dbraw/zinc/68/07/30/588680730.db2.gz CTCFKCHWVVNREA-ZYHUDNBSSA-N 0 3 243.303 0.165 20 0 BCADHN CON(C)C(=O)CN1CCCC[C@@H]1[C@@H](C)CO ZINC000852424500 588681166 /nfs/dbraw/zinc/68/11/66/588681166.db2.gz CYELMYRSZQGQPL-WDEREUQCSA-N 0 3 244.335 0.489 20 0 BCADHN COCCCN1CC[C@@H](N2CCOC2=O)C1 ZINC000852432950 588682179 /nfs/dbraw/zinc/68/21/79/588682179.db2.gz QZVRYTAKUFIYHO-SNVBAGLBSA-N 0 3 228.292 0.549 20 0 BCADHN C[C@@H](O)CCCN1CC[C@H](N2CCOC2=O)C1 ZINC000852438529 588682449 /nfs/dbraw/zinc/68/24/49/588682449.db2.gz SELLVKAUQSXGLK-MNOVXSKESA-N 0 3 242.319 0.674 20 0 BCADHN CN(C[C@@H]1CCC(=O)O1)C[C@H]1COCCO1 ZINC000852498708 588685988 /nfs/dbraw/zinc/68/59/88/588685988.db2.gz PAOHEOZFAIXLNQ-UWVGGRQHSA-N 0 3 229.276 0.039 20 0 BCADHN C[S@](=O)CCN1C[C@H]2COC[C@]2(C)C1 ZINC000852534924 588686485 /nfs/dbraw/zinc/68/64/85/588686485.db2.gz RTHAVMWYWJBTNP-BHDSKKPTSA-N 0 3 217.334 0.333 20 0 BCADHN C[C@]12COC[C@@H]1CN([C@@H]1CCOC1=O)C2 ZINC000852534822 588687581 /nfs/dbraw/zinc/68/75/81/588687581.db2.gz QFQLIRJPRLCCHL-NGZCFLSTSA-N 0 3 211.261 0.270 20 0 BCADHN COCCN(C)CCN(C)C(=O)OC ZINC000852570749 588691438 /nfs/dbraw/zinc/69/14/38/588691438.db2.gz YKAXQKSHPGWWAM-UHFFFAOYSA-N 0 3 204.270 0.263 20 0 BCADHN COC(=O)[C@](C)(CCF)NCCN1CCCC1 ZINC000852576218 588691535 /nfs/dbraw/zinc/69/15/35/588691535.db2.gz CLYLHWSQPNNNHO-LBPRGKRZSA-N 0 3 246.326 0.963 20 0 BCADHN COC(CN[C@H]1C[C@H](O)C12CCC2)OC ZINC000852583582 588691977 /nfs/dbraw/zinc/69/19/77/588691977.db2.gz YNAVBVNQMXZERT-IUCAKERBSA-N 0 3 215.293 0.498 20 0 BCADHN CC[C@@H]1CC[C@@H](C)N(CCS(N)(=O)=O)C1 ZINC000852592087 588692179 /nfs/dbraw/zinc/69/21/79/588692179.db2.gz GVNPQRMQVMSMGM-NXEZZACHSA-N 0 3 234.365 0.785 20 0 BCADHN C[C@@H]1CCN(CCN2CCOC2=O)C[C@H](C)O1 ZINC000852589656 588692291 /nfs/dbraw/zinc/69/22/91/588692291.db2.gz YUDITEPYNCCXIK-MNOVXSKESA-N 0 3 242.319 0.938 20 0 BCADHN O=C1CC[C@H](N2CC[C@H]3C[C@H]3C2)C(=O)N1 ZINC000852634431 588693200 /nfs/dbraw/zinc/69/32/00/588693200.db2.gz GVRVMZOHCZTWPI-CIUDSAMLSA-N 0 3 208.261 0.133 20 0 BCADHN C[S@](=O)CCN1CC[C@H]2COC[C@H]2C1 ZINC000852664095 588694661 /nfs/dbraw/zinc/69/46/61/588694661.db2.gz BWJBCRAKVSLUGN-RBZYPMLTSA-N 0 3 217.334 0.333 20 0 BCADHN COC(=O)/C(C)=C\CN1CCC2(COC2)C1 ZINC000852683118 588695471 /nfs/dbraw/zinc/69/54/71/588695471.db2.gz FCIPIIIKFJSHFN-KMKOMSMNSA-N 0 3 225.288 0.828 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)CCC2OCCO2)C1 ZINC000852697128 588696690 /nfs/dbraw/zinc/69/66/90/588696690.db2.gz WXNKSCLUHHERSJ-AOOOYVTPSA-N 0 3 243.303 0.633 20 0 BCADHN C[C@H](CO)CN1CCC(N2CCOC2=O)CC1 ZINC000852721719 588697881 /nfs/dbraw/zinc/69/78/81/588697881.db2.gz UNPVXIGVQNVOHE-JTQLQIEISA-N 0 3 242.319 0.531 20 0 BCADHN C[C@@H](CO)CN1CCC(N2CCOC2=O)CC1 ZINC000852721720 588698046 /nfs/dbraw/zinc/69/80/46/588698046.db2.gz UNPVXIGVQNVOHE-SNVBAGLBSA-N 0 3 242.319 0.531 20 0 BCADHN Cc1nnc(CN(C)CCN(C)C)s1 ZINC000852747137 588699498 /nfs/dbraw/zinc/69/94/98/588699498.db2.gz XTZMSUONXAOHKC-UHFFFAOYSA-N 0 3 214.338 0.840 20 0 BCADHN CCCOC(=O)[C@@H](C)N1CC[C@@H](F)[C@H](N)C1 ZINC000852762601 588701022 /nfs/dbraw/zinc/70/10/22/588701022.db2.gz PZHFJJSBYBOZES-OPRDCNLKSA-N 0 3 232.299 0.699 20 0 BCADHN CCC[C@H](O)CN1CCC(NC(=O)OC)CC1 ZINC000852765885 588701102 /nfs/dbraw/zinc/70/11/02/588701102.db2.gz WXUVBKXXGHBROE-NSHDSACASA-N 0 3 244.335 0.968 20 0 BCADHN CN(C[C@@H]1CC1(C)C)[C@H]1CCC(=O)NC1=O ZINC000852771264 588701270 /nfs/dbraw/zinc/70/12/70/588701270.db2.gz CSSRSPQVTHWYLE-IUCAKERBSA-N 0 3 224.304 0.770 20 0 BCADHN O=C(NC[C@@H]1CCCO1)[C@H]1NCC12CCCC2 ZINC000852772194 588701642 /nfs/dbraw/zinc/70/16/42/588701642.db2.gz KQAQRBXHDCVEJL-WDEREUQCSA-N 0 3 238.331 0.814 20 0 BCADHN CCOCCNC(=O)[C@H]1NCC12CCCC2 ZINC000852789314 588701821 /nfs/dbraw/zinc/70/18/21/588701821.db2.gz AHUJEKFPGFMTAV-SNVBAGLBSA-N 0 3 226.320 0.671 20 0 BCADHN COC(=O)CCNC(=O)[C@@H]1NCC12CCCC2 ZINC000852787365 588702759 /nfs/dbraw/zinc/70/27/59/588702759.db2.gz QLYGLJMLFCHKAL-JTQLQIEISA-N 0 3 240.303 0.198 20 0 BCADHN CCCCCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852799380 588703982 /nfs/dbraw/zinc/70/39/82/588703982.db2.gz DQEKBXFKOTYRDI-VIFPVBQESA-N 0 3 227.308 0.787 20 0 BCADHN CCCCN(CC)C(=O)C1=NO[C@@H](CN)C1 ZINC000852801356 588704451 /nfs/dbraw/zinc/70/44/51/588704451.db2.gz KJDUAQXPSBVZOU-SECBINFHSA-N 0 3 227.308 0.739 20 0 BCADHN COc1cccc(NC(=O)C2=NO[C@@H](CN)C2)c1 ZINC000852801394 588704567 /nfs/dbraw/zinc/70/45/67/588704567.db2.gz ZAZUZQMVAUMPJI-SNVBAGLBSA-N 0 3 249.270 0.737 20 0 BCADHN C[C@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852801401 588704661 /nfs/dbraw/zinc/70/46/61/588704661.db2.gz ZLSHEOZEOTWKRE-DTWKUNHWSA-N 0 3 225.292 0.349 20 0 BCADHN Cc1ccccc1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852803624 588704724 /nfs/dbraw/zinc/70/47/24/588704724.db2.gz NLZVDWPIGHUWQQ-LLVKDONJSA-N 0 3 247.298 0.715 20 0 BCADHN C[C@@H](C1CC1)N(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852814256 588705149 /nfs/dbraw/zinc/70/51/49/588705149.db2.gz SQPMJOOZZJKHPD-CBAPKCEASA-N 0 3 225.292 0.347 20 0 BCADHN CCN(C(=O)C1=NO[C@H](CN)C1)C1CCCC1 ZINC000852814811 588705186 /nfs/dbraw/zinc/70/51/86/588705186.db2.gz OJWVUDCQUMYFGO-JTQLQIEISA-N 0 3 239.319 0.881 20 0 BCADHN CCN(C(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000852812279 588705261 /nfs/dbraw/zinc/70/52/61/588705261.db2.gz RWYUVWSXLXZDKI-QMMMGPOBSA-N 0 3 211.265 0.101 20 0 BCADHN CC1(C)CCCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852816827 588705328 /nfs/dbraw/zinc/70/53/28/588705328.db2.gz HFESRYHLSDJCMY-SECBINFHSA-N 0 3 239.319 0.739 20 0 BCADHN CCN(CC(C)C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852815950 588705399 /nfs/dbraw/zinc/70/53/99/588705399.db2.gz FNBXOGBSUNAXTJ-SECBINFHSA-N 0 3 227.308 0.595 20 0 BCADHN CCC[C@@H](C)N(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852816462 588705490 /nfs/dbraw/zinc/70/54/90/588705490.db2.gz VVYLHGVSMMXNNO-RKDXNWHRSA-N 0 3 227.308 0.737 20 0 BCADHN CCOCCCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852815655 588705571 /nfs/dbraw/zinc/70/55/71/588705571.db2.gz XCTSLGRBWMOOOL-SECBINFHSA-N 0 3 243.307 0.023 20 0 BCADHN CCC[C@@H](CC)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852823673 588705749 /nfs/dbraw/zinc/70/57/49/588705749.db2.gz RZNALVXYLWZOBI-RKDXNWHRSA-N 0 3 227.308 0.785 20 0 BCADHN C[C@@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)[C@@H]1C ZINC000852828468 588706268 /nfs/dbraw/zinc/70/62/68/588706268.db2.gz YCFBSFCOTBOQHP-BBBLOLIVSA-N 0 3 239.319 0.737 20 0 BCADHN CC1(C)CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852829835 588706593 /nfs/dbraw/zinc/70/65/93/588706593.db2.gz FCIQEYQSSZKSEC-SECBINFHSA-N 0 3 239.319 0.739 20 0 BCADHN C[C@H]1CSCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852839231 588707110 /nfs/dbraw/zinc/70/71/10/588707110.db2.gz ALSNUVPGTYDKNG-JGVFFNPUSA-N 0 3 243.332 0.054 20 0 BCADHN CCC1(NC(=O)C2=NO[C@@H](CN)C2)CCC1 ZINC000852842022 588707319 /nfs/dbraw/zinc/70/73/19/588707319.db2.gz VGCIQWMHGFRSQP-MRVPVSSYSA-N 0 3 225.292 0.539 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1C[C@@H]1N)c1ccccn1 ZINC000852840306 588707328 /nfs/dbraw/zinc/70/73/28/588707328.db2.gz MQRKHSHXEUHYRZ-AEJSXWLSSA-N 0 3 219.288 0.649 20 0 BCADHN NC[C@@H]1CC(C(=O)Nc2ccsc2)=NO1 ZINC000852842088 588707402 /nfs/dbraw/zinc/70/74/02/588707402.db2.gz PSXHZKQTRJHXNR-ZETCQYMHSA-N 0 3 225.273 0.790 20 0 BCADHN CSCCCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852844630 588707618 /nfs/dbraw/zinc/70/76/18/588707618.db2.gz YERNBVMQZZRPGI-QMMMGPOBSA-N 0 3 245.348 0.349 20 0 BCADHN CC(C)N(C(=O)C1=NO[C@H](CN)C1)C1CCC1 ZINC000852845123 588707752 /nfs/dbraw/zinc/70/77/52/588707752.db2.gz CVUHVKBIVKGGND-JTQLQIEISA-N 0 3 239.319 0.880 20 0 BCADHN C[C@@H]1CC[C@H](C)N(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852842752 588707760 /nfs/dbraw/zinc/70/77/60/588707760.db2.gz HQGGSKFSYIEXEI-KXUCPTDWSA-N 0 3 239.319 0.737 20 0 BCADHN CCN(C(=O)C1=NO[C@H](CN)C1)C1CCC1 ZINC000852844413 588707801 /nfs/dbraw/zinc/70/78/01/588707801.db2.gz DQFVASDUVNTKDY-VIFPVBQESA-N 0 3 225.292 0.491 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1C(=O)C1=NO[C@@H](CN)C1 ZINC000852853810 588708195 /nfs/dbraw/zinc/70/81/95/588708195.db2.gz SFLOFAYMBMAVBA-IWSPIJDZSA-N 0 3 225.292 0.489 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)C[C@H]1COCCO1 ZINC000852855989 588708433 /nfs/dbraw/zinc/70/84/33/588708433.db2.gz KMKSCDRFAUJFOW-ONGXEEELSA-N 0 3 242.319 0.001 20 0 BCADHN C[C@@H](NC(=O)C1=NO[C@@H](CN)C1)c1ccccn1 ZINC000852854160 588708570 /nfs/dbraw/zinc/70/85/70/588708570.db2.gz DCTUPOZJUKDXTC-RKDXNWHRSA-N 0 3 248.286 0.362 20 0 BCADHN C[C@@]1(CNC(=O)[C@@]2(F)CCNC2)CC1(F)F ZINC000852855111 588708678 /nfs/dbraw/zinc/70/86/78/588708678.db2.gz FDASBXKHRJKHIM-DTWKUNHWSA-N 0 3 236.237 0.850 20 0 BCADHN Cc1ccnc(NC(=O)C2=NO[C@H](CN)C2)c1 ZINC000852856681 588709019 /nfs/dbraw/zinc/70/90/19/588709019.db2.gz SXXNNGDRWRVTGA-QMMMGPOBSA-N 0 3 234.259 0.432 20 0 BCADHN Cc1ccc(NC(=O)C2=NO[C@H](CN)C2)c(C)n1 ZINC000852861318 588709149 /nfs/dbraw/zinc/70/91/49/588709149.db2.gz SWJUBIBGTDIUCF-VIFPVBQESA-N 0 3 248.286 0.741 20 0 BCADHN O=C(N1CC[C@@H]2C[C@@H]2C1)[C@@]1(F)CCNC1 ZINC000852864341 588709151 /nfs/dbraw/zinc/70/91/51/588709151.db2.gz STGMBCPCYWJINM-FXPVBKGRSA-N 0 3 212.268 0.556 20 0 BCADHN Cc1ccncc1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852860723 588709229 /nfs/dbraw/zinc/70/92/29/588709229.db2.gz INUVOFQATWYIRJ-MRVPVSSYSA-N 0 3 234.259 0.432 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CCF)C1 ZINC000852860543 588709285 /nfs/dbraw/zinc/70/92/85/588709285.db2.gz GNBFEAQOFXPUMU-LPEHRKFASA-N 0 3 214.284 0.932 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCc2nccnc2C1 ZINC000852870600 588709464 /nfs/dbraw/zinc/70/94/64/588709464.db2.gz FXKSZNODKFIHJX-VIFPVBQESA-N 0 3 246.314 0.502 20 0 BCADHN CN(C(=O)C1=NO[C@H](CN)C1)c1cccnc1 ZINC000852868634 588709594 /nfs/dbraw/zinc/70/95/94/588709594.db2.gz KSXATQPJAPLOHZ-VIFPVBQESA-N 0 3 234.259 0.148 20 0 BCADHN CN(Cc1ccncc1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852873822 588709844 /nfs/dbraw/zinc/70/98/44/588709844.db2.gz DPBAYOCNTLDGEI-SNVBAGLBSA-N 0 3 248.286 0.144 20 0 BCADHN Cn1cc([C@H]2N(C(=O)[C@@H]3C[C@@H]3N)CC2(C)C)cn1 ZINC000852872721 588709872 /nfs/dbraw/zinc/70/98/72/588709872.db2.gz KUTWHVZTCAWDPR-OUAUKWLOSA-N 0 3 248.330 0.677 20 0 BCADHN CC1(C)Cc2n[nH]cc2CN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000852874172 588709941 /nfs/dbraw/zinc/70/99/41/588709941.db2.gz LVZUJQWAWZUDIQ-ZJUUUORDSA-N 0 3 248.330 0.668 20 0 BCADHN Cc1ccc(NC(=O)C2=NO[C@H](CN)C2)c(O)c1 ZINC000852883560 588711347 /nfs/dbraw/zinc/71/13/47/588711347.db2.gz ZGVCZBVBMXEJSJ-QMMMGPOBSA-N 0 3 249.270 0.743 20 0 BCADHN CC(C)C[C@H](C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852883990 588711385 /nfs/dbraw/zinc/71/13/85/588711385.db2.gz CIBXNUIZOIURFV-IUCAKERBSA-N 0 3 227.308 0.641 20 0 BCADHN CCCN(C(=O)C1=NO[C@H](CN)C1)C1CC1 ZINC000852887405 588711397 /nfs/dbraw/zinc/71/13/97/588711397.db2.gz MQJXXYSDVIVSQO-VIFPVBQESA-N 0 3 225.292 0.491 20 0 BCADHN O=C(C=C1CC[NH2+]CC1)NCc1ncccc1[O-] ZINC000852885773 588711457 /nfs/dbraw/zinc/71/14/57/588711457.db2.gz UFMYNEFMCCWUHF-UHFFFAOYSA-N 0 3 247.298 0.713 20 0 BCADHN CC(C)NCC(=O)NC[C@@](C)(O)c1ccco1 ZINC000852896244 588711967 /nfs/dbraw/zinc/71/19/67/588711967.db2.gz WIFPFYRPIZOKHP-GFCCVEGCSA-N 0 3 240.303 0.601 20 0 BCADHN CN(CCC(C)(C)C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852895059 588712144 /nfs/dbraw/zinc/71/21/44/588712144.db2.gz QXTGNSQGAROACH-SECBINFHSA-N 0 3 241.335 0.985 20 0 BCADHN C[C@H](CNC(=O)C1=NO[C@H](CN)C1)CC(F)F ZINC000852894454 588712154 /nfs/dbraw/zinc/71/21/54/588712154.db2.gz JVDRYWRURLVODD-BQBZGAKWSA-N 0 3 249.261 0.498 20 0 BCADHN COCC1(NC(=O)[C@@]2(F)CCNC2)CCCC1 ZINC000852900749 588712247 /nfs/dbraw/zinc/71/22/47/588712247.db2.gz QTVWULHQEBXMDJ-GFCCVEGCSA-N 0 3 244.310 0.763 20 0 BCADHN CCNCC(=O)N1CCN(CC)C(=O)[C@H]1CC ZINC000852907641 588712982 /nfs/dbraw/zinc/71/29/82/588712982.db2.gz NWZKCDSKBLVIBH-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@H](NC(=O)[C@@]1(F)CCNC1)c1nccn1C ZINC000852916795 588713246 /nfs/dbraw/zinc/71/32/46/588713246.db2.gz BNJCYQKAQFMXLA-GZMMTYOYSA-N 0 3 240.282 0.299 20 0 BCADHN C/C=C\C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861708948 589175748 /nfs/dbraw/zinc/17/57/48/589175748.db2.gz JQKIKSLNOBTAJG-NPRAVPSUSA-N 0 3 224.304 0.230 20 0 BCADHN CCCCCCNC(=O)C(=O)N(CC)CCN ZINC000861770494 589177210 /nfs/dbraw/zinc/17/72/10/589177210.db2.gz LTTDBWZBFGCQTH-UHFFFAOYSA-N 0 3 243.351 0.490 20 0 BCADHN Cc1cccc([O-])c1C(=O)NOCC[NH+](C)C ZINC000861856161 589180716 /nfs/dbraw/zinc/18/07/16/589180716.db2.gz CYIWATZZJBXDSK-UHFFFAOYSA-N 0 3 238.287 0.924 20 0 BCADHN FC(F)C1CC(NCc2cn[nH]n2)C1 ZINC000862424550 589211690 /nfs/dbraw/zinc/21/16/90/589211690.db2.gz SRSJTHCDVSBYKF-UHFFFAOYSA-N 0 3 202.208 0.938 20 0 BCADHN CCON(CC)C(=O)CN[C@H]1CCSC1 ZINC000862451538 589215097 /nfs/dbraw/zinc/21/50/97/589215097.db2.gz DCBLKINNPVYHPS-VIFPVBQESA-N 0 3 232.349 0.882 20 0 BCADHN CCON(CC)C(=O)CNCC[C@@H]1CCOC1 ZINC000862453156 589215149 /nfs/dbraw/zinc/21/51/49/589215149.db2.gz SJPWTVDUZVANSO-LLVKDONJSA-N 0 3 244.335 0.803 20 0 BCADHN CCON(CC)C(=O)CN[C@H]1CCOC[C@H]1C ZINC000862453787 589215239 /nfs/dbraw/zinc/21/52/39/589215239.db2.gz NJVVYPGKAWTAJA-MNOVXSKESA-N 0 3 244.335 0.801 20 0 BCADHN CCON(CC)C(=O)CN[C@H]1CCOC[C@@H]1C ZINC000862453791 589215438 /nfs/dbraw/zinc/21/54/38/589215438.db2.gz NJVVYPGKAWTAJA-QWRGUYRKSA-N 0 3 244.335 0.801 20 0 BCADHN OCCCCN1CCC2(C1)OCCO2 ZINC000118958855 589216398 /nfs/dbraw/zinc/21/63/98/589216398.db2.gz YMBKEQNXZQSTOS-UHFFFAOYSA-N 0 3 201.266 0.208 20 0 BCADHN COC1CC(N[C@@H](C)C(=O)N(C)OC)C1 ZINC000862539270 589218296 /nfs/dbraw/zinc/21/82/96/589218296.db2.gz LHKRDVRBPQVHGZ-UEJVZZJDSA-N 0 3 216.281 0.162 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1CSC[C@H]1C ZINC000862542114 589218698 /nfs/dbraw/zinc/21/86/98/589218698.db2.gz FQVJVOAYFQJNQA-IWSPIJDZSA-N 0 3 232.349 0.736 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CC[C@H]1SC ZINC000862542027 589218903 /nfs/dbraw/zinc/21/89/03/589218903.db2.gz CLTQZCKJHLGIGO-HRDYMLBCSA-N 0 3 232.349 0.878 20 0 BCADHN CON(C)C(=O)[C@@H](C)NC1CC(OC(C)C)C1 ZINC000862542041 589218931 /nfs/dbraw/zinc/21/89/31/589218931.db2.gz CPAZDIQONMFWOW-KPPDAEKUSA-N 0 3 244.335 0.940 20 0 BCADHN O=C1OC[C@@H]2CN(Cc3ccoc3)C[C@H]12 ZINC000862545188 589219288 /nfs/dbraw/zinc/21/92/88/589219288.db2.gz JYOKHTWPKZPOGY-UWVGGRQHSA-N 0 3 207.229 0.884 20 0 BCADHN O=C1OC[C@@H]2CN(CC3=CCCOC3)C[C@H]12 ZINC000862546432 589219425 /nfs/dbraw/zinc/21/94/25/589219425.db2.gz MIQJMNBRSKXSNT-QWRGUYRKSA-N 0 3 223.272 0.438 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)/C=C\[C@H]1CCOC1 ZINC000862725947 589236659 /nfs/dbraw/zinc/23/66/59/589236659.db2.gz DDVDPZHXCMNDLC-KBIXYVOKSA-N 0 3 238.331 0.790 20 0 BCADHN COC/C=C/C(=O)NC[C@H]1CCCN1C ZINC000862725956 589236831 /nfs/dbraw/zinc/23/68/31/589236831.db2.gz GGMGLJFGKGJEMU-DFVUYQKZSA-N 0 3 212.293 0.399 20 0 BCADHN CCCCC[C@H](NC(=O)[C@@H](N)CC)C(=O)OC ZINC000119248946 589253830 /nfs/dbraw/zinc/25/38/30/589253830.db2.gz LXFRUCFILJGAPS-UWVGGRQHSA-N 0 3 244.335 0.962 20 0 BCADHN CCNC(=S)NNc1ccncc1C ZINC000863205821 589271368 /nfs/dbraw/zinc/27/13/68/589271368.db2.gz NVZYAMCDYGLWMP-UHFFFAOYSA-N 0 3 210.306 0.623 20 0 BCADHN C/C(=C/C(=O)NCCN1CC[C@@H](O)C1)C1CC1 ZINC000863323906 589279843 /nfs/dbraw/zinc/27/98/43/589279843.db2.gz LUAAVNLTAYVFKC-VPUINMBXSA-N 0 3 238.331 0.526 20 0 BCADHN C/C=C/C=C/C(=O)NCCN1CC[C@@H](O)C1 ZINC000863330236 589280574 /nfs/dbraw/zinc/28/05/74/589280574.db2.gz XXEFTJRHTQVTCX-WANFKSSISA-N 0 3 224.304 0.302 20 0 BCADHN CON(C)C(=O)[C@H](C)NC[C@@H](O)CCC(C)C ZINC000863587432 589301973 /nfs/dbraw/zinc/30/19/73/589301973.db2.gz NLCRMIBLYKJNLL-QWRGUYRKSA-N 0 3 246.351 0.781 20 0 BCADHN CCC/C=C/C(=O)NCCN1CC[C@H](O)C1 ZINC000863829053 589321450 /nfs/dbraw/zinc/32/14/50/589321450.db2.gz APEZLUXKQXZTOT-ZWNMCFTASA-N 0 3 226.320 0.526 20 0 BCADHN CS/C=C\C(=O)NCCN1CC[C@H](O)C1 ZINC000863832559 589321970 /nfs/dbraw/zinc/32/19/70/589321970.db2.gz ZUVXUGDYXNZBEF-XGLGWPIMSA-N 0 3 230.333 0.046 20 0 BCADHN CCCN(CCO)C(=O)CN(C)C1CCC1 ZINC000863857843 589323345 /nfs/dbraw/zinc/32/33/45/589323345.db2.gz RGIWQIJDGMNUSS-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN CN(CC(=O)N1CC2(C1)CCOC2)C1CCC1 ZINC000863919865 589326465 /nfs/dbraw/zinc/32/64/65/589326465.db2.gz DRPCCCUSHZWEFA-UHFFFAOYSA-N 0 3 238.331 0.720 20 0 BCADHN C=CC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000863971251 589330045 /nfs/dbraw/zinc/33/00/45/589330045.db2.gz LTSHEGCPUBLRBT-UHFFFAOYSA-N 0 3 247.298 0.925 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1NCc1cnc[nH]1 ZINC000864050026 589334802 /nfs/dbraw/zinc/33/48/02/589334802.db2.gz RQYIVLVOIHTLRM-QMMMGPOBSA-N 0 3 208.265 0.024 20 0 BCADHN C[C@@H]1C[C@H](NCc2ccc(N)nn2)[C@@H](C)O1 ZINC000864050191 589335115 /nfs/dbraw/zinc/33/51/15/589335115.db2.gz XYLLZOPNMWJMPV-MRTMQBJTSA-N 0 3 222.292 0.714 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1NCc1ccc(CO)cc1 ZINC000864053641 589336024 /nfs/dbraw/zinc/33/60/24/589336024.db2.gz XSKQIVUHKNWBCD-LBPRGKRZSA-N 0 3 248.326 0.793 20 0 BCADHN CN1CCN(C(=O)[C@H]2C[C@@H](O)C2)CCC1(C)C ZINC000864063527 589337320 /nfs/dbraw/zinc/33/73/20/589337320.db2.gz RIBDUVMSSMNHEJ-PHIMTYICSA-N 0 3 240.347 0.700 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C23CCN(CC2)C3)[C@@H](C)O1 ZINC000864063128 589337413 /nfs/dbraw/zinc/33/74/13/589337413.db2.gz IBMAAAWSWJNABC-MXWKQRLJSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C23CCN(CC2)C3)[C@@H](C)O1 ZINC000864063127 589337584 /nfs/dbraw/zinc/33/75/84/589337584.db2.gz IBMAAAWSWJNABC-GMTAPVOTSA-N 0 3 238.331 0.764 20 0 BCADHN O=C(N1CC2(CC2(F)F)C1)C12CCN(CC1)C2 ZINC000864065705 589337792 /nfs/dbraw/zinc/33/77/92/589337792.db2.gz JECZVEWMBQGTEM-UHFFFAOYSA-N 0 3 242.269 0.950 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000864067852 589338400 /nfs/dbraw/zinc/33/84/00/589338400.db2.gz KYWDJYATENMNHS-PVTPVBHGSA-N 0 3 240.347 0.912 20 0 BCADHN C/C=C\[C@H](O)C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000864085225 589342046 /nfs/dbraw/zinc/34/20/46/589342046.db2.gz SYRUNMDPBMMFKQ-QOHONLRBSA-N 0 3 238.331 0.524 20 0 BCADHN CCN1CCN(CC[C@@H]2CCOC2=O)CC1 ZINC000119970233 589353342 /nfs/dbraw/zinc/35/33/42/589353342.db2.gz SSZPXZPQQSYHBV-LLVKDONJSA-N 0 3 226.320 0.577 20 0 BCADHN O=C1OCC[C@H]1CCN1CCCC[C@@H]1CO ZINC000120146573 589383289 /nfs/dbraw/zinc/38/32/89/589383289.db2.gz ZEFIBVGEEKXOSP-GHMZBOCLSA-N 0 3 227.304 0.786 20 0 BCADHN O=C(NCCN1CCCC1)C1(F)CCOCC1 ZINC000864611432 589383506 /nfs/dbraw/zinc/38/35/06/589383506.db2.gz GBQVCFWOAPIXPG-UHFFFAOYSA-N 0 3 244.310 0.717 20 0 BCADHN CCN1CCC(NC(=O)/C=C/COC)CC1 ZINC000864610780 589383687 /nfs/dbraw/zinc/38/36/87/589383687.db2.gz TWLSIBLXTTUDKO-SNAWJCMRSA-N 0 3 226.320 0.790 20 0 BCADHN CCC[C@H](N)c1cn([C@H]2CCOC2=O)nn1 ZINC000864641154 589386892 /nfs/dbraw/zinc/38/68/92/589386892.db2.gz SVUMQVPARUDCDW-CBAPKCEASA-N 0 3 224.264 0.566 20 0 BCADHN CC(C)(C)[C@@H](N)c1cn([C@@H]2CCOC2=O)nn1 ZINC000864641103 589387068 /nfs/dbraw/zinc/38/70/68/589387068.db2.gz ROYUBGWSAGGUED-BDAKNGLRSA-N 0 3 238.291 0.812 20 0 BCADHN CCOC(=O)C(F)(F)n1cc([C@H](C)N)nn1 ZINC000864644303 589387335 /nfs/dbraw/zinc/38/73/35/589387335.db2.gz SJBBVTCCCIHNLZ-YFKPBYRVSA-N 0 3 234.206 0.410 20 0 BCADHN CCOC(=O)C(F)(F)n1cc(C(C)(C)N)nn1 ZINC000864644644 589387513 /nfs/dbraw/zinc/38/75/13/589387513.db2.gz ZZXXTFXTUSOOHN-UHFFFAOYSA-N 0 3 248.233 0.584 20 0 BCADHN Cc1ccc(-n2cc([C@H](C)N)nn2)nc1 ZINC000864652058 589388013 /nfs/dbraw/zinc/38/80/13/589388013.db2.gz LQUMQNLZWIGUPT-QMMMGPOBSA-N 0 3 203.249 0.990 20 0 BCADHN c1c([C@H]2CCOC2)nnn1CCN1CCCC1 ZINC000864652593 589388055 /nfs/dbraw/zinc/38/80/55/589388055.db2.gz MYGNNOFNEKIGMO-NSHDSACASA-N 0 3 236.319 0.878 20 0 BCADHN O=C1OCC[C@@H]1CCN1CCSCC1 ZINC000120180325 589389257 /nfs/dbraw/zinc/38/92/57/589389257.db2.gz FARBXNMYVFEHJP-VIFPVBQESA-N 0 3 215.318 0.988 20 0 BCADHN CON(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000864685732 589389366 /nfs/dbraw/zinc/38/93/66/589389366.db2.gz QFHKDCBFEYVCCU-UHFFFAOYSA-N 0 3 226.280 0.078 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC000120267601 589398630 /nfs/dbraw/zinc/39/86/30/589398630.db2.gz QMBYARMHYYJREX-MRVPVSSYSA-N 0 3 228.292 0.148 20 0 BCADHN COC/C=C\C(=O)N1CCC[C@H]1CN(C)C ZINC000865124446 589409787 /nfs/dbraw/zinc/40/97/87/589409787.db2.gz BGQONMFMNFNKLJ-XOIDGJRKSA-N 0 3 226.320 0.742 20 0 BCADHN CN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC(=O)O1 ZINC000865125790 589409995 /nfs/dbraw/zinc/40/99/95/589409995.db2.gz KUNYATBJCODHHI-NXEZZACHSA-N 0 3 240.303 0.245 20 0 BCADHN COC/C=C\C(=O)N(C)CCN1CCCC1 ZINC000865159697 589411979 /nfs/dbraw/zinc/41/19/79/589411979.db2.gz OANYLYMGALYGHJ-WAYWQWQTSA-N 0 3 226.320 0.743 20 0 BCADHN C[C@H](CNC(=O)C1CSC1)N1CCCC1 ZINC000865176309 589412711 /nfs/dbraw/zinc/41/27/11/589412711.db2.gz PRSZZDBYYHVDNH-SECBINFHSA-N 0 3 228.361 0.950 20 0 BCADHN C[C@@H]1C[C@H](NC(=S)NCCN(C)C)[C@H](C)O1 ZINC000865248106 589415560 /nfs/dbraw/zinc/41/55/60/589415560.db2.gz KUIWWGWMGBHCML-UTLUCORTSA-N 0 3 245.392 0.578 20 0 BCADHN CN(CCCN1CCCC1)CCS(C)(=O)=O ZINC000120454659 589415804 /nfs/dbraw/zinc/41/58/04/589415804.db2.gz SFKSXWIQGVSUND-UHFFFAOYSA-N 0 3 248.392 0.449 20 0 BCADHN O=c1ccc(CNC[C@H]2COCCO2)c[nH]1 ZINC000865419364 589434971 /nfs/dbraw/zinc/43/49/71/589434971.db2.gz RBTQKFAFJNTZLV-JTQLQIEISA-N 0 3 224.260 0.292 20 0 BCADHN C[C@H](CO)NCc1cnc2c(cnn2C)c1 ZINC000865428588 589435646 /nfs/dbraw/zinc/43/56/46/589435646.db2.gz VXHJQXCFNHLMPK-MRVPVSSYSA-N 0 3 220.276 0.439 20 0 BCADHN CC[S@](=O)CCNCc1ccc(=O)[nH]c1 ZINC000865457917 589437541 /nfs/dbraw/zinc/43/75/41/589437541.db2.gz XLRHGHXKKMKPDM-HNNXBMFYSA-N 0 3 228.317 0.645 20 0 BCADHN CN(C)CCN(C)c1nc2cnccc2n1C ZINC000865577984 589448660 /nfs/dbraw/zinc/44/86/60/589448660.db2.gz WDHLUTULTKZHNJ-UHFFFAOYSA-N 0 3 233.319 0.966 20 0 BCADHN COC(=O)N(C)CCNCc1ccc(=O)[nH]c1 ZINC000865629908 589452650 /nfs/dbraw/zinc/45/26/50/589452650.db2.gz UUXXEXCYZBHURY-UHFFFAOYSA-N 0 3 239.275 0.575 20 0 BCADHN CC(C)(O)CN1CC[C@H](NCc2ncc[nH]2)C1 ZINC000865655611 589454543 /nfs/dbraw/zinc/45/45/43/589454543.db2.gz KJJQAOXMJASJNP-JTQLQIEISA-N 0 3 238.335 0.345 20 0 BCADHN Cn1nccc1CN[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865695453 589456908 /nfs/dbraw/zinc/45/69/08/589456908.db2.gz ZHCZQRYAQRBJMV-MNSQCTGESA-N 0 3 233.315 0.933 20 0 BCADHN Cn1ncc2cc(CN[C@H]3CCC[C@@H]3O)cnc21 ZINC000865734487 589459446 /nfs/dbraw/zinc/45/94/46/589459446.db2.gz AOGBOYLXYUPOPJ-RYUDHWBXSA-N 0 3 246.314 0.971 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1cnc(C2CC2)s1 ZINC000865738847 589459719 /nfs/dbraw/zinc/45/97/19/589459719.db2.gz KUIRABTUNQDTHH-GMSGAONNSA-N 0 3 242.344 0.852 20 0 BCADHN COc1ccsc1CNC[C@@H](O)[C@@H](C)O ZINC000865738631 589459721 /nfs/dbraw/zinc/45/97/21/589459721.db2.gz HZRXIHBRLGMJQU-HTQZYQBOSA-N 0 3 231.317 0.588 20 0 BCADHN Cc1nn(C(C)C)cc1CNC[C@@H](O)[C@H](C)O ZINC000865738075 589459737 /nfs/dbraw/zinc/45/97/37/589459737.db2.gz BVNJXHVQDNUDKA-CMPLNLGQSA-N 0 3 241.335 0.604 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1cc2cnccc2o1 ZINC000865738147 589459811 /nfs/dbraw/zinc/45/98/11/589459811.db2.gz JPTUXORSOXAJCQ-GZMMTYOYSA-N 0 3 236.271 0.659 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1ccc2c(c1)ncn2C ZINC000865738654 589459844 /nfs/dbraw/zinc/45/98/44/589459844.db2.gz IORVZAHYCHMPKP-ZANVPECISA-N 0 3 249.314 0.405 20 0 BCADHN Cc1nn(C(C)C)cc1CNC[C@@H](O)[C@@H](C)O ZINC000865738078 589459899 /nfs/dbraw/zinc/45/98/99/589459899.db2.gz BVNJXHVQDNUDKA-ZYHUDNBSSA-N 0 3 241.335 0.604 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1ccc2c(c1)ncn2C ZINC000865738651 589459961 /nfs/dbraw/zinc/45/99/61/589459961.db2.gz IORVZAHYCHMPKP-NOZJJQNGSA-N 0 3 249.314 0.405 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1scnc1C1CC1 ZINC000865739534 589460203 /nfs/dbraw/zinc/46/02/03/589460203.db2.gz RIFNTZPZGCXMLQ-CBAPKCEASA-N 0 3 242.344 0.852 20 0 BCADHN O[C@@H]1CCOC[C@H]1NCc1ccc2c[nH]nc2c1 ZINC000865750806 589460829 /nfs/dbraw/zinc/46/08/29/589460829.db2.gz XJMKPFIJMFTZMG-CHWSQXEVSA-N 0 3 247.298 0.802 20 0 BCADHN COC/C=C\C(=O)N[C@H](CN(C)C)C(C)C ZINC000865800394 589462270 /nfs/dbraw/zinc/46/22/70/589462270.db2.gz NEHXJTSDNAHPIJ-JMEBYUIHSA-N 0 3 228.336 0.891 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)[C@H]1CCC(=O)O1 ZINC000865800804 589462344 /nfs/dbraw/zinc/46/23/44/589462344.db2.gz STDUEWZDDOEZMO-VHSXEESVSA-N 0 3 242.319 0.394 20 0 BCADHN Cn1cc(CNc2cc3n(n2)CCN(C)C3)cn1 ZINC000865845379 589464818 /nfs/dbraw/zinc/46/48/18/589464818.db2.gz ZOTBXYPCABEKJN-UHFFFAOYSA-N 0 3 246.318 0.674 20 0 BCADHN COC/C=C/C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000865894417 589467708 /nfs/dbraw/zinc/46/77/08/589467708.db2.gz MQJZHKYAJBCXMN-HOSRBBHYSA-N 0 3 240.347 0.989 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1nccc(N)n1 ZINC000865976949 589471057 /nfs/dbraw/zinc/47/10/57/589471057.db2.gz VOTNXOZVMGCBCG-UHFFFAOYSA-N 0 3 249.318 0.055 20 0 BCADHN CN(C)C1(CNC(=O)c2nccc(N)n2)CCC1 ZINC000865978926 589471248 /nfs/dbraw/zinc/47/12/48/589471248.db2.gz JVMIUGZNIPFXBP-UHFFFAOYSA-N 0 3 249.318 0.103 20 0 BCADHN OCc1cc(N[C@H]2C[C@@H](CO)C2)ccn1 ZINC000866005443 589472370 /nfs/dbraw/zinc/47/23/70/589472370.db2.gz VDEKJYATFCFOGW-WAAGHKOSSA-N 0 3 208.261 0.757 20 0 BCADHN C[C@@H]1CCC[N@H+](CCCOC([O-])=NC(N)=O)C1 ZINC000120881142 589475248 /nfs/dbraw/zinc/47/52/48/589475248.db2.gz MUMBJSIRDSPPFY-SECBINFHSA-N 0 3 243.307 0.913 20 0 BCADHN C[C@@H]1CCC[N@@H+](CCCOC([O-])=NC(N)=O)C1 ZINC000120881142 589475249 /nfs/dbraw/zinc/47/52/49/589475249.db2.gz MUMBJSIRDSPPFY-SECBINFHSA-N 0 3 243.307 0.913 20 0 BCADHN C[C@@H]1CCC[N@H+](CCCOC(=O)N=C(N)[O-])C1 ZINC000120881142 589475250 /nfs/dbraw/zinc/47/52/50/589475250.db2.gz MUMBJSIRDSPPFY-SECBINFHSA-N 0 3 243.307 0.913 20 0 BCADHN 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ZINC000867506258 589523451 /nfs/dbraw/zinc/52/34/51/589523451.db2.gz RIFHDTIQIYXRSV-SNVBAGLBSA-N 0 3 232.349 0.576 20 0 BCADHN CCS(=O)(=O)N1CC[C@@H]2[C@H](CCN2C)C1 ZINC000867808423 589534585 /nfs/dbraw/zinc/53/45/85/589534585.db2.gz MZZKJBPVJOPWDU-NXEZZACHSA-N 0 3 232.349 0.362 20 0 BCADHN CN1CC[C@H]2CN(S(=O)(=O)C3CC3)CC[C@H]21 ZINC000867812479 589535113 /nfs/dbraw/zinc/53/51/13/589535113.db2.gz KEYMAEUYBAOHAA-GXSJLCMTSA-N 0 3 244.360 0.505 20 0 BCADHN CN1CC[C@@H]2CN(S(=O)(=O)C3CC3)CC[C@H]21 ZINC000867812481 589535146 /nfs/dbraw/zinc/53/51/46/589535146.db2.gz KEYMAEUYBAOHAA-MWLCHTKSSA-N 0 3 244.360 0.505 20 0 BCADHN CCCS(=O)(=O)N1CC[C@@H]2[C@H](CCN2C)C1 ZINC000867809439 589535263 /nfs/dbraw/zinc/53/52/63/589535263.db2.gz RLVBCQDRTZLONC-GHMZBOCLSA-N 0 3 246.376 0.752 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000868048209 589546909 /nfs/dbraw/zinc/54/69/09/589546909.db2.gz ZANHKMIBPRPNTH-NWDGAFQWSA-N 0 3 240.347 0.916 20 0 BCADHN COC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000121990864 589546928 /nfs/dbraw/zinc/54/69/28/589546928.db2.gz PMYKGEQKOYDLDA-BDAKNGLRSA-N 0 3 214.265 0.206 20 0 BCADHN C[C@@H](N)C(=O)NC1([C@@H]2CCCCO2)CCC1 ZINC000868047103 589546961 /nfs/dbraw/zinc/54/69/61/589546961.db2.gz LMNYDNODKHBUSN-ZJUUUORDSA-N 0 3 226.320 0.942 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000868070179 589547853 /nfs/dbraw/zinc/54/78/53/589547853.db2.gz FOFLEXYFNGLWPG-QWRGUYRKSA-N 0 3 240.347 0.903 20 0 BCADHN CS[C@@H](C)CNCCS(C)(=O)=O ZINC000122074808 589552370 /nfs/dbraw/zinc/55/23/70/589552370.db2.gz INHJOGKXYCLRGX-ZETCQYMHSA-N 0 3 211.352 0.372 20 0 BCADHN CCCNC(=S)NCCN(C)CCOC ZINC000122121977 589556426 /nfs/dbraw/zinc/55/64/26/589556426.db2.gz HSIVSFCDIXRFIS-UHFFFAOYSA-N 0 3 233.381 0.439 20 0 BCADHN Cc1cnc(F)c(C(=O)NOCCN(C)C)c1 ZINC000868628314 589569103 /nfs/dbraw/zinc/56/91/03/589569103.db2.gz RLWWTHSBTAHYCV-UHFFFAOYSA-N 0 3 241.266 0.752 20 0 BCADHN CC[C@@H]1[C@@H](C(=O)[N-]OCCN(C)C)CC[N@@H+]1C ZINC000868629784 589569340 /nfs/dbraw/zinc/56/93/40/589569340.db2.gz SIXZTTAKUIQKRK-WDEREUQCSA-N 0 3 243.351 0.326 20 0 BCADHN CC[C@@H]1[C@@H](C(=O)[N-]OCCN(C)C)CC[N@H+]1C ZINC000868629784 589569341 /nfs/dbraw/zinc/56/93/41/589569341.db2.gz SIXZTTAKUIQKRK-WDEREUQCSA-N 0 3 243.351 0.326 20 0 BCADHN CN(C)C1(CNC(=O)C2(F)CCOCC2)CC1 ZINC000868895674 589581560 /nfs/dbraw/zinc/58/15/60/589581560.db2.gz AFCZCDSVCVTNRE-UHFFFAOYSA-N 0 3 244.310 0.716 20 0 BCADHN CCN(C(=O)[C@H]1CCC(=O)O1)[C@@H]1CCN(C)C1 ZINC000869237743 589593199 /nfs/dbraw/zinc/59/31/99/589593199.db2.gz AWIMQJDZWVNUEK-NXEZZACHSA-N 0 3 240.303 0.245 20 0 BCADHN C/C=C(\C)C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869779627 589629472 /nfs/dbraw/zinc/62/94/72/589629472.db2.gz BLIKIPCIGOOYAU-UAWPZABVSA-N 0 3 240.347 0.914 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869778406 589629599 /nfs/dbraw/zinc/62/95/99/589629599.db2.gz JGBKNHRRGOXMFS-DCAQKATOSA-N 0 3 240.347 0.604 20 0 BCADHN CC[C@H](C)C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869783884 589629636 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/nfs/dbraw/zinc/70/43/52/589704352.db2.gz GWIXJYFKIYXCEH-ZETCQYMHSA-N 0 3 246.261 0.711 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000870981819 589704551 /nfs/dbraw/zinc/70/45/51/589704551.db2.gz APOREJIKUHVODV-UWVGGRQHSA-N 0 3 240.347 0.604 20 0 BCADHN CN[C@@H](C)C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000870982257 589705073 /nfs/dbraw/zinc/70/50/73/589705073.db2.gz FCCSQNJJGNBFAE-IUCAKERBSA-N 0 3 214.309 0.214 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)c1ccnn1C ZINC000871011709 589711288 /nfs/dbraw/zinc/71/12/88/589711288.db2.gz XFUSWDHFBJDRQW-UWVGGRQHSA-N 0 3 238.335 0.971 20 0 BCADHN N[C@@H](C(=O)Nc1ccn(CCF)n1)C1CCC1 ZINC000871011041 589711394 /nfs/dbraw/zinc/71/13/94/589711394.db2.gz MZCMGBBKSJMRNL-SNVBAGLBSA-N 0 3 240.282 0.919 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)c1ccnn1C ZINC000871011325 589711449 /nfs/dbraw/zinc/71/14/49/589711449.db2.gz QZCKLPBNHGGAPQ-YUMQZZPRSA-N 0 3 210.281 0.335 20 0 BCADHN CC[C@H](N)C(=O)N1CCN(C)c2ncccc2C1 ZINC000871021922 589713555 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GAWKTNNWYUMOEG-UWVGGRQHSA-N 0 3 245.319 0.003 20 0 BCADHN CC(C)(O)C[C@H](O)CNC[C@H](O)c1ccco1 ZINC000871972994 589849683 /nfs/dbraw/zinc/84/96/83/589849683.db2.gz GTSYOYFFFORJQY-UWVGGRQHSA-N 0 3 243.303 0.425 20 0 BCADHN CC(C)OC[C@H](O)CNC[C@@H](O)c1ccco1 ZINC000871973082 589850215 /nfs/dbraw/zinc/85/02/15/589850215.db2.gz KQJKIRVKZDSLOQ-GHMZBOCLSA-N 0 3 243.303 0.689 20 0 BCADHN C[C@H](O)CCN(C)C[C@H](O)CC(C)(C)O ZINC000871978289 589851277 /nfs/dbraw/zinc/85/12/77/589851277.db2.gz WCWKYQJBTFPOLK-VHSXEESVSA-N 0 3 219.325 0.211 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1CC(C(C)(C)O)C1 ZINC000871981866 589851803 /nfs/dbraw/zinc/85/18/03/589851803.db2.gz PYNZNEDJXCJXQK-SNVBAGLBSA-N 0 3 231.336 0.211 20 0 BCADHN C[C@@H]1C[C@H](C)N1C[C@H](O)CC(C)(C)O ZINC000871981824 589851896 /nfs/dbraw/zinc/85/18/96/589851896.db2.gz OJFFKFQOJKTYIS-KXUCPTDWSA-N 0 3 201.310 0.991 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)O)[C@H]1C ZINC000871980469 589851901 /nfs/dbraw/zinc/85/19/01/589851901.db2.gz 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O=C(N1CCO[C@@H]2CCC[C@@H]21)[C@]1(F)CCNC1 ZINC000872263220 589902457 /nfs/dbraw/zinc/90/24/57/589902457.db2.gz LFNSEZVWVTXGSP-UMNHJUIQSA-N 0 3 242.294 0.468 20 0 BCADHN COCCN1CCNC(=O)CC12CCOCC2 ZINC000872284388 589905788 /nfs/dbraw/zinc/90/57/88/589905788.db2.gz PKXIAVHPSYQJIS-UHFFFAOYSA-N 0 3 242.319 0.004 20 0 BCADHN NCC(=O)N1CCC[C@@H](OC2CCC2)CC1 ZINC000872290308 589906365 /nfs/dbraw/zinc/90/63/65/589906365.db2.gz YSKJDZOVTLSCJM-LLVKDONJSA-N 0 3 226.320 0.895 20 0 BCADHN CN(C(=O)CN[C@]12CCC[C@H]1OCC2)C1CC1 ZINC000872311905 589909233 /nfs/dbraw/zinc/90/92/33/589909233.db2.gz GOVYCYWVLYBYTF-YPMHNXCESA-N 0 3 238.331 0.908 20 0 BCADHN CN1CCCN(c2cc(Cl)n[nH]c2=O)CC1 ZINC000872388866 589931127 /nfs/dbraw/zinc/93/11/27/589931127.db2.gz PFQWQWCVFZOKJF-UHFFFAOYSA-N 0 3 242.710 0.978 20 0 BCADHN O=c1[n-]nc(Cl)cc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000872418641 589937471 /nfs/dbraw/zinc/93/74/71/589937471.db2.gz YAPMAWZQHDFMPI-BQBZGAKWSA-N 0 3 240.694 0.491 20 0 BCADHN CC[S@@](=O)CCNCc1cccnc1 ZINC000124148379 589951466 /nfs/dbraw/zinc/95/14/66/589951466.db2.gz GEANWSPYJYASQA-AWEZNQCLSA-N 0 3 212.318 0.940 20 0 BCADHN C[S@](=O)CCNCc1cccc(C(N)=O)c1 ZINC000124156908 589952964 /nfs/dbraw/zinc/95/29/64/589952964.db2.gz XMNFDXIKTFGPBB-MRXNPFEDSA-N 0 3 240.328 0.254 20 0 BCADHN C[S@@](=O)CCNCc1cccc(O)c1 ZINC000124164459 589957226 /nfs/dbraw/zinc/95/72/26/589957226.db2.gz LYYASWLSOKVWOJ-AWEZNQCLSA-N 0 3 213.302 0.860 20 0 BCADHN CCn1cc(CNCC[S@@](C)=O)cn1 ZINC000124202008 589964408 /nfs/dbraw/zinc/96/44/08/589964408.db2.gz BLIYIEUIXKVJTN-AWEZNQCLSA-N 0 3 215.322 0.371 20 0 BCADHN C[C@@H](N)c1cn(CC(=O)Nc2ccccc2)nn1 ZINC000124237809 589966385 /nfs/dbraw/zinc/96/63/85/589966385.db2.gz SIZYMPWXZRYRMB-SECBINFHSA-N 0 3 245.286 0.937 20 0 BCADHN C[C@H](N)c1cn(CC(=O)Nc2ccccc2)nn1 ZINC000124237567 589966566 /nfs/dbraw/zinc/96/65/66/589966566.db2.gz SIZYMPWXZRYRMB-VIFPVBQESA-N 0 3 245.286 0.937 20 0 BCADHN Cn1cnc(N2CC[C@H]3[C@@H]2CCCN3C)cc1=O ZINC000872778567 589969389 /nfs/dbraw/zinc/96/93/89/589969389.db2.gz JKNNPVOPNWVUTA-QWRGUYRKSA-N 0 3 248.330 0.453 20 0 BCADHN S=C1OCCN1CN1C[C@@H]2COC[C@@H]2C1 ZINC000872784346 589970990 /nfs/dbraw/zinc/97/09/90/589970990.db2.gz AJWZJLFDWMZXCX-DTORHVGOSA-N 0 3 228.317 0.139 20 0 BCADHN C[C@@H](N)c1cn(CC(=O)N2CCCCC2)nn1 ZINC000124385395 589983772 /nfs/dbraw/zinc/98/37/72/589983772.db2.gz GZEMKBYRLOXWOF-SECBINFHSA-N 0 3 237.307 0.310 20 0 BCADHN Cn1cc(CNC[C@H]2C[C@H](O)C2)c(Cl)n1 ZINC000873177762 589989676 /nfs/dbraw/zinc/98/96/76/589989676.db2.gz DVXRNWPYDJRAOY-XWEPSHTISA-N 0 3 229.711 0.934 20 0 BCADHN O[C@H]1C[C@H](CNCc2cnn3c2CCC3)C1 ZINC000873177792 589990201 /nfs/dbraw/zinc/99/02/01/589990201.db2.gz GAXMTIQSBLOSPJ-HOMQSWHASA-N 0 3 221.304 0.690 20 0 BCADHN Nc1cnc(CNCC2CCOCC2)cn1 ZINC000873211630 589990321 /nfs/dbraw/zinc/99/03/21/589990321.db2.gz QTNRMMYMOHYEGX-UHFFFAOYSA-N 0 3 222.292 0.575 20 0 BCADHN CC[C@](C)(CCO)NCc1cnc(N)cn1 ZINC000873206536 589994281 /nfs/dbraw/zinc/99/42/81/589994281.db2.gz HSJSNFVILPLASG-LLVKDONJSA-N 0 3 224.308 0.700 20 0 BCADHN CN(Cc1cnc(N)cn1)[C@@H]1CCN(C2CC2)C1 ZINC000873204546 589994406 /nfs/dbraw/zinc/99/44/06/589994406.db2.gz GOWMRDISWUNZAS-GFCCVEGCSA-N 0 3 247.346 0.727 20 0 BCADHN C[C@H]1[C@H](C)N(Cc2cnc(N)cn2)CCN1C ZINC000873209606 589995547 /nfs/dbraw/zinc/99/55/47/589995547.db2.gz QFPDEQROSFFRAQ-UWVGGRQHSA-N 0 3 235.335 0.583 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cc(N)cc(F)c1 ZINC000873288137 590022296 /nfs/dbraw/zinc/02/22/96/590022296.db2.gz WGDBNPVVFBBMCB-ZETCQYMHSA-N 0 3 225.267 0.761 20 0 BCADHN CN(C)CCNC(=O)c1cc(Cl)no1 ZINC000873735416 590069797 /nfs/dbraw/zinc/06/97/97/590069797.db2.gz IGXOETRBPYGOPX-UHFFFAOYSA-N 0 3 217.656 0.619 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)CN1CCCC1 ZINC000873838914 590075064 /nfs/dbraw/zinc/07/50/64/590075064.db2.gz DAZFUBCCYUMSKS-GFCCVEGCSA-N 0 3 239.363 0.683 20 0 BCADHN C[N@@H+]1CC[C@@H](CC(=O)Nc2nc[n-]n2)C1 ZINC000874086937 590091006 /nfs/dbraw/zinc/09/10/06/590091006.db2.gz NLACKSRDKBDKQB-ZETCQYMHSA-N 0 3 209.253 0.085 20 0 BCADHN C[N@H+]1CC[C@@H](CC(=O)Nc2nc[n-]n2)C1 ZINC000874086937 590091008 /nfs/dbraw/zinc/09/10/08/590091008.db2.gz NLACKSRDKBDKQB-ZETCQYMHSA-N 0 3 209.253 0.085 20 0 BCADHN COC(=O)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000874098876 590091271 /nfs/dbraw/zinc/09/12/71/590091271.db2.gz WGKGNAVZMIRJNQ-JTQLQIEISA-N 0 3 240.303 0.104 20 0 BCADHN CC[S@](=O)CCNC(=O)C1(CN(C)C)CC1 ZINC000874451738 590111713 /nfs/dbraw/zinc/11/17/13/590111713.db2.gz HCYGARLFUNYGHW-INIZCTEOSA-N 0 3 246.376 0.213 20 0 BCADHN CN1CCC[C@@H](NC(=O)CN2CCCC2)C1 ZINC000874390123 590107189 /nfs/dbraw/zinc/10/71/89/590107189.db2.gz ZSWGKPCQUUBOHZ-LLVKDONJSA-N 0 3 225.336 0.293 20 0 BCADHN CC[C@@H](C(=O)NCC(=O)OCC1CC1)N(C)C ZINC000125063412 590116921 /nfs/dbraw/zinc/11/69/21/590116921.db2.gz CEAGNJFDXOSXKH-JTQLQIEISA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@@H](C(=O)N1CCC2(C1)OCCO2)N(C)C ZINC000125121309 590125099 /nfs/dbraw/zinc/12/50/99/590125099.db2.gz HYXSURKWTVQAEW-JTQLQIEISA-N 0 3 242.319 0.302 20 0 BCADHN C#CCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095118011 598900465 /nfs/dbraw/zinc/90/04/65/598900465.db2.gz XCACKGCGISKIKU-UHFFFAOYSA-N 0 3 227.271 0.980 20 0 BCADHN C#CCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095118011 598900467 /nfs/dbraw/zinc/90/04/67/598900467.db2.gz XCACKGCGISKIKU-UHFFFAOYSA-N 0 3 227.271 0.980 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1C[C@@H](O)C1 ZINC000874823272 590141268 /nfs/dbraw/zinc/14/12/68/590141268.db2.gz OAEQIOGRUZUBDD-KXNHARMFSA-N 0 3 238.331 0.452 20 0 BCADHN COC/C=C\C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874820735 590141652 /nfs/dbraw/zinc/14/16/52/590141652.db2.gz FMHNJKKWZYFGOB-GJJFQZOLSA-N 0 3 238.331 0.884 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874827923 590142511 /nfs/dbraw/zinc/14/25/11/590142511.db2.gz FMGMACMDHFZBPV-TUAOUCFPSA-N 0 3 240.347 0.698 20 0 BCADHN Cn1cncc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874828053 590142720 /nfs/dbraw/zinc/14/27/20/590142720.db2.gz FXGBTJUZZSGTTF-QWRGUYRKSA-N 0 3 248.330 0.729 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccon1 ZINC000874837772 590143410 /nfs/dbraw/zinc/14/34/10/590143410.db2.gz LECHUGOPSOKBIL-RYUDHWBXSA-N 0 3 249.314 0.912 20 0 BCADHN CC[C@H](CO)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874833002 590143690 /nfs/dbraw/zinc/14/36/90/590143690.db2.gz INXRMYMEQKOGQI-UTUOFQBUSA-N 0 3 240.347 0.700 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cncnc1 ZINC000874832423 590143757 /nfs/dbraw/zinc/14/37/57/590143757.db2.gz FLSINFYAQNIBJR-NEPJUHHUSA-N 0 3 246.314 0.785 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccon1 ZINC000874837771 590143826 /nfs/dbraw/zinc/14/38/26/590143826.db2.gz LECHUGOPSOKBIL-NWDGAFQWSA-N 0 3 249.314 0.912 20 0 BCADHN Cn1ncc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)n1 ZINC000874831079 590144151 /nfs/dbraw/zinc/14/41/51/590144151.db2.gz XWILTBBAFMQECT-QWRGUYRKSA-N 0 3 249.318 0.124 20 0 BCADHN Cn1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)n1 ZINC000874841603 590144991 /nfs/dbraw/zinc/14/49/91/590144991.db2.gz WFYMUCKWPRWLCE-RYUDHWBXSA-N 0 3 248.330 0.729 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1c[nH]cn1 ZINC000874840635 590145241 /nfs/dbraw/zinc/14/52/41/590145241.db2.gz PYZUIDQWKHTQNF-GHMZBOCLSA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cnc[nH]1 ZINC000874840635 590145243 /nfs/dbraw/zinc/14/52/43/590145243.db2.gz PYZUIDQWKHTQNF-GHMZBOCLSA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cnccn1 ZINC000874850209 590145827 /nfs/dbraw/zinc/14/58/27/590145827.db2.gz PCUGVHKVHLFGAD-VXGBXAGGSA-N 0 3 246.314 0.785 20 0 BCADHN CC[S@](=O)CCNCc1cccn1C ZINC000125248644 590159351 /nfs/dbraw/zinc/15/93/51/590159351.db2.gz ALOQEHDDHYRDTO-CQSZACIVSA-N 0 3 214.334 0.883 20 0 BCADHN O=C1OCC[C@H]1N1CCN(c2ccncc2)CC1 ZINC000125276151 590159362 /nfs/dbraw/zinc/15/93/62/590159362.db2.gz IDIHTVZUTRNFKZ-GFCCVEGCSA-N 0 3 247.298 0.519 20 0 BCADHN COC[C@H](NC(=O)[C@@]1(F)CCNC1)C1CC1 ZINC000125393925 590163137 /nfs/dbraw/zinc/16/31/37/590163137.db2.gz ZBBFZBRVBCMUMM-GXSJLCMTSA-N 0 3 230.283 0.229 20 0 BCADHN COC[C@@H](NC(=O)[C@]1(F)CCNC1)C1CC1 ZINC000125393689 590163280 /nfs/dbraw/zinc/16/32/80/590163280.db2.gz ZBBFZBRVBCMUMM-KOLCDFICSA-N 0 3 230.283 0.229 20 0 BCADHN Cc1noc(C)c1CN(C)C[C@@H]1CNCCO1 ZINC000125474866 590165665 /nfs/dbraw/zinc/16/56/65/590165665.db2.gz LZDXYJXAPAFOND-NSHDSACASA-N 0 3 239.319 0.712 20 0 BCADHN C[C@H](CNC(=O)Nc1ncccn1)N(C)C ZINC000888674879 590167108 /nfs/dbraw/zinc/16/71/08/590167108.db2.gz PQGGPOWWSBXVDL-MRVPVSSYSA-N 0 3 223.280 0.548 20 0 BCADHN CC[C@@H](C[C@H](C)O)NC(=O)NC[C@H](C)N(C)C ZINC000875645539 590167361 /nfs/dbraw/zinc/16/73/61/590167361.db2.gz XKRCTXLTWUHCMJ-DCAQKATOSA-N 0 3 245.367 0.785 20 0 BCADHN CCCCCN(CCC1OCCO1)CC(N)=O ZINC000125610611 590173584 /nfs/dbraw/zinc/17/35/84/590173584.db2.gz XDNIHGZRMHYABP-UHFFFAOYSA-N 0 3 244.335 0.727 20 0 BCADHN CCCCCCN(C)CC(=O)N[C@@H](C)CO ZINC000125649316 590176619 /nfs/dbraw/zinc/17/66/19/590176619.db2.gz LUDKFVMBLHOSHD-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN CONC(=O)c1cccc2c1CCNC2 ZINC000125657024 590176771 /nfs/dbraw/zinc/17/67/71/590176771.db2.gz XBRRDDRDHBWRNV-UHFFFAOYSA-N 0 3 206.245 0.624 20 0 BCADHN CC1=NO[C@H](CNC(=O)NCCN(C)C)C1 ZINC000875969540 590180527 /nfs/dbraw/zinc/18/05/27/590180527.db2.gz UFHCRHUEDRFYEV-VIFPVBQESA-N 0 3 228.296 0.012 20 0 BCADHN Nc1cc(F)ccc1C(=O)N1CCCNCC1 ZINC000876505534 590204323 /nfs/dbraw/zinc/20/43/23/590204323.db2.gz HFYHPNMFGZJTRM-UHFFFAOYSA-N 0 3 237.278 0.843 20 0 BCADHN CCCn1cc(CN2CCCN(C)CC2)nn1 ZINC000876511060 590205572 /nfs/dbraw/zinc/20/55/72/590205572.db2.gz VBQCBLPOWSXUNH-UHFFFAOYSA-N 0 3 237.351 0.826 20 0 BCADHN CN(CCO)Cc1cnc2c(cnn2C)c1 ZINC000876525818 590208444 /nfs/dbraw/zinc/20/84/44/590208444.db2.gz OHTXYWSCYPPBFD-UHFFFAOYSA-N 0 3 220.276 0.392 20 0 BCADHN CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876602760 590220994 /nfs/dbraw/zinc/22/09/94/590220994.db2.gz DZOAFCAYVIXTPL-SRVKXCTJSA-N 0 3 241.379 0.960 20 0 BCADHN CCN[C@@H](C)C(=O)NCc1nc(C2CC2)no1 ZINC000876623783 590222954 /nfs/dbraw/zinc/22/29/54/590222954.db2.gz UMRBKEBKOOQTDD-ZETCQYMHSA-N 0 3 238.291 0.561 20 0 BCADHN Cc1ccc2c(c1)N(C(=O)[C@@H](N)CN(C)C)CC2 ZINC000876631511 590223374 /nfs/dbraw/zinc/22/33/74/590223374.db2.gz UDXBWWPXWLCBBQ-LBPRGKRZSA-N 0 3 247.342 0.773 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)C(C1CC1)C1CC1 ZINC000876632796 590224374 /nfs/dbraw/zinc/22/43/74/590224374.db2.gz XGVYARUEBKWSAN-NSHDSACASA-N 0 3 239.363 0.522 20 0 BCADHN CCN[C@@H](C)C(=O)NC(C)(C)CC(=O)OC ZINC000876668789 590228103 /nfs/dbraw/zinc/22/81/03/590228103.db2.gz QPWMSRRLYHPZSS-QMMMGPOBSA-N 0 3 230.308 0.442 20 0 BCADHN C[C@H]1CC[C@H](C)N(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876671169 590228583 /nfs/dbraw/zinc/22/85/83/590228583.db2.gz VTAKPUNBIGBJFT-DCAQKATOSA-N 0 3 227.352 0.522 20 0 BCADHN C[C@@H]1CC[C@H](C)CN1C(=O)[C@@H](N)CN(C)C ZINC000876671168 590228837 /nfs/dbraw/zinc/22/88/37/590228837.db2.gz VTAKPUNBIGBJFT-AXFHLTTASA-N 0 3 227.352 0.522 20 0 BCADHN CCN[C@@H](C)C(=O)N[C@H](CC(=O)OC)C1CC1 ZINC000876703358 590231863 /nfs/dbraw/zinc/23/18/63/590231863.db2.gz DEHSTSVKBWEYJN-WCBMZHEXSA-N 0 3 242.319 0.442 20 0 BCADHN COCCNCCNC(=O)C1=C(C)OCCC1 ZINC000876790653 590241350 /nfs/dbraw/zinc/24/13/50/590241350.db2.gz ANCIIQWJZAWVDV-UHFFFAOYSA-N 0 3 242.319 0.423 20 0 BCADHN Cn1ncc2cc(CN3CC[C@](C)(O)C3)cnc21 ZINC000876792212 590241949 /nfs/dbraw/zinc/24/19/49/590241949.db2.gz ULHATAHPTUYBJM-ZDUSSCGKSA-N 0 3 246.314 0.925 20 0 BCADHN COCCNCCNC(=O)c1cc(Cl)no1 ZINC000876791895 590242027 /nfs/dbraw/zinc/24/20/27/590242027.db2.gz JQDLBLYDRIRYTQ-UHFFFAOYSA-N 0 3 247.682 0.294 20 0 BCADHN Cn1ncc2cc(CN3CC[C@@](C)(O)C3)cnc21 ZINC000876792211 590242051 /nfs/dbraw/zinc/24/20/51/590242051.db2.gz ULHATAHPTUYBJM-CYBMUJFWSA-N 0 3 246.314 0.925 20 0 BCADHN C[C@H](C(=O)N1CCNC[C@H]1C(F)F)N(C)C ZINC000876855104 590249913 /nfs/dbraw/zinc/24/99/13/590249913.db2.gz YROUEFACRYYICU-SFYZADRCSA-N 0 3 235.278 0.002 20 0 BCADHN Cc1conc1C(=O)N[C@@H]1CNCCC1(F)F ZINC000876865805 590251246 /nfs/dbraw/zinc/25/12/46/590251246.db2.gz HRTRIXMWDLGOHT-SSDOTTSWSA-N 0 3 245.229 0.710 20 0 BCADHN O[C@]1(CNCc2ccc(Cl)nc2)CCOC1 ZINC000126202118 590252363 /nfs/dbraw/zinc/25/23/63/590252363.db2.gz UUSCGSKOKMXVMY-NSHDSACASA-N 0 3 242.706 0.976 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)Nc1cnn(C(F)F)c1 ZINC000876876565 590252419 /nfs/dbraw/zinc/25/24/19/590252419.db2.gz ROFZCIPZHLNCIR-RQJHMYQMSA-N 0 3 246.217 0.333 20 0 BCADHN O=C1C[C@H](NC[C@@H](O)c2ccco2)CCCN1 ZINC000876917039 590256975 /nfs/dbraw/zinc/25/69/75/590256975.db2.gz MHLONROYIFHGPO-NXEZZACHSA-N 0 3 238.287 0.571 20 0 BCADHN CCN[C@H](C)C(=O)NCc1nn(CC)nc1C ZINC000876930546 590258160 /nfs/dbraw/zinc/25/81/60/590258160.db2.gz ADNHVLGPDHDSIG-SECBINFHSA-N 0 3 239.323 0.221 20 0 BCADHN C[C@@H]1CC2(CCC2)CN1C(=O)[C@@H](N)CN(C)C ZINC000876938988 590259000 /nfs/dbraw/zinc/25/90/00/590259000.db2.gz RRIWBWSJVRLFJB-MNOVXSKESA-N 0 3 239.363 0.666 20 0 BCADHN Cc1ccnn1CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000876975390 590263441 /nfs/dbraw/zinc/26/34/41/590263441.db2.gz FGSZJCAPFDQLDC-NXEZZACHSA-N 0 3 240.282 0.089 20 0 BCADHN C[C@@H](NCCS(C)(=O)=O)[C@H]1CC1(F)F ZINC000876976257 590263601 /nfs/dbraw/zinc/26/36/01/590263601.db2.gz MBSAVLXXUKTYQD-RNFRBKRXSA-N 0 3 227.276 0.664 20 0 BCADHN CCn1nncc1CNC(=O)[C@@H](C)NC1CC1 ZINC000876987724 590265026 /nfs/dbraw/zinc/26/50/26/590265026.db2.gz HEPMWKQUUBHRTD-MRVPVSSYSA-N 0 3 237.307 0.055 20 0 BCADHN CCn1ncc(CNC(=O)[C@@H](N)CC(C)C)n1 ZINC000876990124 590265920 /nfs/dbraw/zinc/26/59/20/590265920.db2.gz QWTRJOTVSWMXRC-JTQLQIEISA-N 0 3 239.323 0.288 20 0 BCADHN NC[C@@H]1CC(C(=O)NCC2CC=CC2)=NO1 ZINC000876997992 590267140 /nfs/dbraw/zinc/26/71/40/590267140.db2.gz AZONPKOLZQPELR-VIFPVBQESA-N 0 3 223.276 0.172 20 0 BCADHN CNc1ccc(NC(=O)C2=NO[C@@H](CN)C2)cc1 ZINC000877018779 590269314 /nfs/dbraw/zinc/26/93/14/590269314.db2.gz AFZGJKMUBTYOJU-SNVBAGLBSA-N 0 3 248.286 0.770 20 0 BCADHN Cc1ncccc1CNC(=O)[C@]1(F)CCNC1 ZINC000877032898 590272240 /nfs/dbraw/zinc/27/22/40/590272240.db2.gz SGHWEGPWQSNANM-LBPRGKRZSA-N 0 3 237.278 0.708 20 0 BCADHN CC[S@@](=O)CCN[C@@H](C)Cc1cnccn1 ZINC000877040283 590273289 /nfs/dbraw/zinc/27/32/89/590273289.db2.gz BSNBJRKVLVBZEZ-MGPLVRAMSA-N 0 3 241.360 0.766 20 0 BCADHN OC[C@@H](NCc1ccc(Cl)nn1)C1CC1 ZINC000877044826 590273913 /nfs/dbraw/zinc/27/39/13/590273913.db2.gz IUKBMJKIIZEUAG-SECBINFHSA-N 0 3 227.695 0.991 20 0 BCADHN O=C(N[C@@H]1CO[C@H](C2CC2)C1)[C@]1(F)CCNC1 ZINC000877065803 590276936 /nfs/dbraw/zinc/27/69/36/590276936.db2.gz WNINYXXZPLCNEL-NHCYSSNCSA-N 0 3 242.294 0.372 20 0 BCADHN CCn1nc(C)cc1NC(=O)[C@@H](N)CN(C)C ZINC000877068036 590277114 /nfs/dbraw/zinc/27/71/14/590277114.db2.gz PDAVVGYMBHTPSP-VIFPVBQESA-N 0 3 239.323 0.039 20 0 BCADHN CCn1nc(C)cc1NC(=O)[C@]1(F)CCNC1 ZINC000877068089 590277232 /nfs/dbraw/zinc/27/72/32/590277232.db2.gz QHRNFWZFBKRRFW-NSHDSACASA-N 0 3 240.282 0.852 20 0 BCADHN NC[C@H]1CC(C(=O)NC2(C(F)F)CC2)=NO1 ZINC000877080759 590279734 /nfs/dbraw/zinc/27/97/34/590279734.db2.gz SMBUWWBOBRROGA-RXMQYKEDSA-N 0 3 233.218 0.004 20 0 BCADHN COC(=O)N1CC(NC[C@](C)(OC)C2CC2)C1 ZINC000877098933 590282535 /nfs/dbraw/zinc/28/25/35/590282535.db2.gz YJHOFBAEANZKAR-LBPRGKRZSA-N 0 3 242.319 0.842 20 0 BCADHN CO[C@H](CNCC1(C)OCCO1)[C@H]1CCOC1 ZINC000877117906 590288599 /nfs/dbraw/zinc/28/85/99/590288599.db2.gz CVBPCJWMNGSDFR-WDEREUQCSA-N 0 3 245.319 0.391 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@H](C)c1nccc(N)n1 ZINC000877145137 590291751 /nfs/dbraw/zinc/29/17/51/590291751.db2.gz DMGQDMHJKSSKET-HTQZYQBOSA-N 0 3 249.318 0.377 20 0 BCADHN CC[C@](C)(NC(=O)C1=NO[C@@H](CN)C1)C1CC1 ZINC000877147078 590292082 /nfs/dbraw/zinc/29/20/82/590292082.db2.gz ZMDQVQDIWRGVAA-SKDRFNHKSA-N 0 3 239.319 0.785 20 0 BCADHN CCNCC(=O)Nc1nc(C2CC2)c[nH]1 ZINC000877145900 590292313 /nfs/dbraw/zinc/29/23/13/590292313.db2.gz LSXWBPJMDSTUBX-UHFFFAOYSA-N 0 3 208.265 0.835 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877175617 590296579 /nfs/dbraw/zinc/29/65/79/590296579.db2.gz AWIJZJIMLIMZPE-WYVINJBVSA-N 0 3 224.304 0.263 20 0 BCADHN CC(C)NCC(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877177521 590297131 /nfs/dbraw/zinc/29/71/31/590297131.db2.gz JNKGZWGJPCABSV-BSFRTMCYSA-N 0 3 238.331 0.524 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877178384 590297341 /nfs/dbraw/zinc/29/73/41/590297341.db2.gz UKNRJZULEFAWDM-QAWJZHMJSA-N 0 3 238.331 0.524 20 0 BCADHN CC(C)NCC(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877177522 590297344 /nfs/dbraw/zinc/29/73/44/590297344.db2.gz JNKGZWGJPCABSV-CXWACVEQSA-N 0 3 238.331 0.524 20 0 BCADHN C[C@@H](N)C(=O)N1CCCCCCNC(=O)CC1 ZINC000877193382 590299495 /nfs/dbraw/zinc/29/94/95/590299495.db2.gz BVGJJCJOFKSUJS-SNVBAGLBSA-N 0 3 241.335 0.243 20 0 BCADHN COCCNCC(=O)NCc1ccnc(F)c1 ZINC000877202212 590300381 /nfs/dbraw/zinc/30/03/81/590300381.db2.gz DXYHIGVXOWQJNU-UHFFFAOYSA-N 0 3 241.266 0.073 20 0 BCADHN Cc1ccc(CNC(=O)[C@@]2(F)CCNC2)o1 ZINC000877202179 590300464 /nfs/dbraw/zinc/30/04/64/590300464.db2.gz CNTWIPLFFJZKMJ-LLVKDONJSA-N 0 3 226.251 0.906 20 0 BCADHN CCNCC(=O)NCc1ccnc(F)c1 ZINC000877202356 590300732 /nfs/dbraw/zinc/30/07/32/590300732.db2.gz MUHJGZCEZPYRDG-UHFFFAOYSA-N 0 3 211.240 0.446 20 0 BCADHN C[C@H](N)C(=O)N1CCOc2cc(N)ccc2C1 ZINC000877209015 590300848 /nfs/dbraw/zinc/30/08/48/590300848.db2.gz DNWWTIUGDBTYHW-QMMMGPOBSA-N 0 3 235.287 0.337 20 0 BCADHN CN[C@@H](C)C(=O)N1CCOc2cc(N)ccc2C1 ZINC000877211260 590300952 /nfs/dbraw/zinc/30/09/52/590300952.db2.gz FYDBMCSGOYYKJU-VIFPVBQESA-N 0 3 249.314 0.598 20 0 BCADHN CCNCC(=O)N1CCC(C)(F)CC1 ZINC000877203915 590301159 /nfs/dbraw/zinc/30/11/59/590301159.db2.gz ZZMDBDCKSKLTPU-UHFFFAOYSA-N 0 3 202.273 0.947 20 0 BCADHN CC[C@@H](N)C(=O)N1CCOc2cc(N)ccc2C1 ZINC000877210193 590301212 /nfs/dbraw/zinc/30/12/12/590301212.db2.gz AFXPJRKNSMUBMX-LLVKDONJSA-N 0 3 249.314 0.727 20 0 BCADHN CC1(NC(=O)[C@]2(F)CCNC2)CCOCC1 ZINC000877233648 590301779 /nfs/dbraw/zinc/30/17/79/590301779.db2.gz ZNQYLUULZIRBPL-NSHDSACASA-N 0 3 230.283 0.373 20 0 BCADHN CC[C@H](O)CN(C)[C@@H]1CCCCNC1=O ZINC000126420673 590301860 /nfs/dbraw/zinc/30/18/60/590301860.db2.gz JUARRPQEPBRIMI-VHSXEESVSA-N 0 3 214.309 0.358 20 0 BCADHN CCNCC(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000877250581 590303897 /nfs/dbraw/zinc/30/38/97/590303897.db2.gz QEPOSEVDVTWVRJ-ZJUUUORDSA-N 0 3 228.361 0.807 20 0 BCADHN CCNCC(=O)Nc1cc(CC2CC2)[nH]n1 ZINC000877291277 590307610 /nfs/dbraw/zinc/30/76/10/590307610.db2.gz TZQNKKHMEVSHHM-UHFFFAOYSA-N 0 3 222.292 0.910 20 0 BCADHN CCOC(=O)[C@H](CC1CC1)NC(=O)C(C)(C)N ZINC000877304493 590308188 /nfs/dbraw/zinc/30/81/88/590308188.db2.gz IWOKCTXGVZPJOQ-VIFPVBQESA-N 0 3 242.319 0.572 20 0 BCADHN CN[C@@H](C)C(=O)N1CCO[C@H](C(F)F)C1 ZINC000877299802 590308683 /nfs/dbraw/zinc/30/86/83/590308683.db2.gz NYEPKNZZSJMAPB-BQBZGAKWSA-N 0 3 222.235 0.087 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCO[C@H](C(F)F)C1 ZINC000877299341 590308716 /nfs/dbraw/zinc/30/87/16/590308716.db2.gz LDFQLGZMWPTOFH-CBAPKCEASA-N 0 3 248.273 0.619 20 0 BCADHN CCNCC(=O)N1CCC(C(C)=O)CC1 ZINC000877301038 590308810 /nfs/dbraw/zinc/30/88/10/590308810.db2.gz IZMJZCNGSXBOJF-UHFFFAOYSA-N 0 3 212.293 0.424 20 0 BCADHN CC(=O)C1CCN(C(=O)[C@H](N)C(C)C)CC1 ZINC000877301937 590309909 /nfs/dbraw/zinc/30/99/09/590309909.db2.gz QUTGPNVMHBLZBN-LLVKDONJSA-N 0 3 226.320 0.797 20 0 BCADHN CCOC(=O)[C@H](CC1CC1)NC(=O)C1(N)CC1 ZINC000877305234 590311082 /nfs/dbraw/zinc/31/10/82/590311082.db2.gz SCIWDNJITWXQBP-VIFPVBQESA-N 0 3 240.303 0.326 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877308824 590311440 /nfs/dbraw/zinc/31/14/40/590311440.db2.gz CWJOGTRWDFEBSI-DOLQZWNJSA-N 0 3 212.293 0.407 20 0 BCADHN O=C(CNC1CC1)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877310658 590312506 /nfs/dbraw/zinc/31/25/06/590312506.db2.gz PPONDCSXFDTUQR-DLOVCJGASA-N 0 3 238.331 0.812 20 0 BCADHN CNCC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877310242 590312657 /nfs/dbraw/zinc/31/26/57/590312657.db2.gz JFIXFQTVRQXBOG-LPEHRKFASA-N 0 3 212.293 0.280 20 0 BCADHN CN[C@@H](C)C(=O)NCc1ccc2oc(=O)[nH]c2c1 ZINC000877313762 590312917 /nfs/dbraw/zinc/31/29/17/590312917.db2.gz FGVCHEHRHGOAES-ZETCQYMHSA-N 0 3 249.270 0.758 20 0 BCADHN CCN[C@H](C)C(=O)NCCC[C@@H]1CCOC1=O ZINC000877311418 590313315 /nfs/dbraw/zinc/31/33/15/590313315.db2.gz IJVKHSLCJFXHEE-NXEZZACHSA-N 0 3 242.319 0.444 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCC[C@H]1CCOC1=O ZINC000877311606 590313337 /nfs/dbraw/zinc/31/33/37/590313337.db2.gz KWCYITBMFVCWIE-UWVGGRQHSA-N 0 3 242.319 0.429 20 0 BCADHN CCN[C@H](C)C(=O)NCCC[C@H]1CCOC1=O ZINC000877311421 590313478 /nfs/dbraw/zinc/31/34/78/590313478.db2.gz IJVKHSLCJFXHEE-ZJUUUORDSA-N 0 3 242.319 0.444 20 0 BCADHN CC(C)[C@H](N)C(=O)NCCC[C@@H]1CCOC1=O ZINC000877311608 590313597 /nfs/dbraw/zinc/31/35/97/590313597.db2.gz KWCYITBMFVCWIE-ZJUUUORDSA-N 0 3 242.319 0.429 20 0 BCADHN NC1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000877346775 590318610 /nfs/dbraw/zinc/31/86/10/590318610.db2.gz HSWNZFTYAVPLNO-LBPRGKRZSA-N 0 3 245.326 0.308 20 0 BCADHN CC(=O)Nc1ccc2c(c1)CN(C(=O)CN)CC2 ZINC000877379443 590319875 /nfs/dbraw/zinc/31/98/75/590319875.db2.gz CEABTOBYINXHMF-UHFFFAOYSA-N 0 3 247.298 0.488 20 0 BCADHN Cc1nccnc1[C@H](C)NC(=O)[C@@H]1NCC1(C)C ZINC000877431983 590325879 /nfs/dbraw/zinc/32/58/79/590325879.db2.gz QOQUXBOXODPKSL-ONGXEEELSA-N 0 3 248.330 0.960 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)c1nccnc1C ZINC000877431437 590326469 /nfs/dbraw/zinc/32/64/69/590326469.db2.gz FZQRGZYHTCNJTD-IUCAKERBSA-N 0 3 222.292 0.700 20 0 BCADHN CCn1ncc(NC(=O)[C@@]2(F)CCNC2)c1C ZINC000877452226 590329664 /nfs/dbraw/zinc/32/96/64/590329664.db2.gz UULTWZMYHOWBJW-LLVKDONJSA-N 0 3 240.282 0.852 20 0 BCADHN CCNCC(=O)Nc1cnn(CC)c1C ZINC000877451488 590330108 /nfs/dbraw/zinc/33/01/08/590330108.db2.gz NIFFXYMBLQJHKG-UHFFFAOYSA-N 0 3 210.281 0.759 20 0 BCADHN CC[C@H](NC(=O)[C@@]1(F)CCNC1)C(F)F ZINC000877456141 590330418 /nfs/dbraw/zinc/33/04/18/590330418.db2.gz PUABBCWVCUFUJE-IMTBSYHQSA-N 0 3 224.226 0.848 20 0 BCADHN CC1(CN[C@@H]2CCCNC(=O)C2)OCCCO1 ZINC000877474970 590335883 /nfs/dbraw/zinc/33/58/83/590335883.db2.gz KLRXLYFQZVISCN-SNVBAGLBSA-N 0 3 242.319 0.398 20 0 BCADHN COC[C@@H](CO)NC[C@H]1CC1(Cl)Cl ZINC000877491559 590339637 /nfs/dbraw/zinc/33/96/37/590339637.db2.gz MMLYSZVMJQUYAZ-RNFRBKRXSA-N 0 3 228.119 0.777 20 0 BCADHN CN(CCCO)Cc1cnc2c(cnn2C)c1 ZINC000877499387 590341692 /nfs/dbraw/zinc/34/16/92/590341692.db2.gz OUKJKDCAMBDHPT-UHFFFAOYSA-N 0 3 234.303 0.783 20 0 BCADHN CCCn1cc(CN2CC[C@@H]3CN(C)C[C@H]32)nn1 ZINC000877547093 590352788 /nfs/dbraw/zinc/35/27/88/590352788.db2.gz QMNVLTWDSXGQJG-DGCLKSJQSA-N 0 3 249.362 0.824 20 0 BCADHN CO[C@@]1(CN2CC3(C2)CCOC3)CCOC1 ZINC000877554868 590356218 /nfs/dbraw/zinc/35/62/18/590356218.db2.gz PVGDFKMVNFPZBY-GFCCVEGCSA-N 0 3 227.304 0.514 20 0 BCADHN CO[C@H](CNCCS(=O)(=O)C1CC1)C1CC1 ZINC000877591720 590368743 /nfs/dbraw/zinc/36/87/43/590368743.db2.gz YNEBKWVJLUPMOJ-LLVKDONJSA-N 0 3 247.360 0.578 20 0 BCADHN CCN(OC)C(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000877606760 590371644 /nfs/dbraw/zinc/37/16/44/590371644.db2.gz KGARBNWANQQVGL-VHSXEESVSA-N 0 3 230.308 0.553 20 0 BCADHN CCON(C)C(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000877612969 590372901 /nfs/dbraw/zinc/37/29/01/590372901.db2.gz ZRALKUQSGYNMCC-ZJUUUORDSA-N 0 3 230.308 0.553 20 0 BCADHN CCON(C)C(=O)CNC[C@@](C)(OC)C1CC1 ZINC000877611803 590373012 /nfs/dbraw/zinc/37/30/12/590373012.db2.gz AJYGRJBWTINBDN-GFCCVEGCSA-N 0 3 244.335 0.801 20 0 BCADHN O=CN1CCCN(CCC[C@H]2CCO2)CC1 ZINC000877641899 590382525 /nfs/dbraw/zinc/38/25/25/590382525.db2.gz KGHCSRFWAYTAJN-LBPRGKRZSA-N 0 3 226.320 0.720 20 0 BCADHN CCOC1CC(CN2CCCN(C=O)CC2)C1 ZINC000877641819 590382754 /nfs/dbraw/zinc/38/27/54/590382754.db2.gz BHURGGMPBBVZNV-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN COc1cnc(F)c(CNCC2COC2)c1 ZINC000877657239 590386036 /nfs/dbraw/zinc/38/60/36/590386036.db2.gz BJSWCXHMBPFTQE-UHFFFAOYSA-N 0 3 226.251 0.965 20 0 BCADHN CON(C)C(=O)[C@H](C)NCCC[C@@H]1CCO1 ZINC000877659545 590386069 /nfs/dbraw/zinc/38/60/69/590386069.db2.gz VYOOXIFEHUFTKV-VHSXEESVSA-N 0 3 230.308 0.553 20 0 BCADHN CCC[C@@H](CN[C@H](C)C(=O)N(C)OC)OC ZINC000877660014 590386775 /nfs/dbraw/zinc/38/67/75/590386775.db2.gz GTMUJNPVXXHQSX-ZJUUUORDSA-N 0 3 232.324 0.799 20 0 BCADHN Cn1nncc1CN1CCN(C)C(C)(C)CC1 ZINC000877701093 590394897 /nfs/dbraw/zinc/39/48/97/590394897.db2.gz KCGMYNURXSMXDC-UHFFFAOYSA-N 0 3 237.351 0.731 20 0 BCADHN Cn1cccc1CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719687 590400443 /nfs/dbraw/zinc/40/04/43/590400443.db2.gz DWYDCFGYSGZIAC-PHIMTYICSA-N 0 3 247.298 0.072 20 0 BCADHN COC(=O)C1CC(NCc2cn(C)nc2C)C1 ZINC000877720439 590401225 /nfs/dbraw/zinc/40/12/25/590401225.db2.gz BRAAVUGXJNZCCK-UHFFFAOYSA-N 0 3 237.303 0.770 20 0 BCADHN CN1C(=O)[C@H]2CN(Cc3ccoc3)C[C@H]2C1=O ZINC000877719594 590401278 /nfs/dbraw/zinc/40/12/78/590401278.db2.gz APMDCJLXVSQOPC-AOOOYVTPSA-N 0 3 234.255 0.326 20 0 BCADHN COC(=O)[C@]12C[C@H]1C[C@H](NCc1cncnc1)C2 ZINC000877723303 590402213 /nfs/dbraw/zinc/40/22/13/590402213.db2.gz YBRNOZZVFHCKIC-MDZLAQPJSA-N 0 3 247.298 0.908 20 0 BCADHN CC(C)(CNC1CSC1)CS(N)(=O)=O ZINC000877735593 590403841 /nfs/dbraw/zinc/40/38/41/590403841.db2.gz YPEVTPIEJUNZMK-UHFFFAOYSA-N 0 3 238.378 0.006 20 0 BCADHN COCC(C)(C)CN1CC[C@@H](O)[C@@H](O)C1 ZINC000877749846 590413964 /nfs/dbraw/zinc/41/39/64/590413964.db2.gz YNPNUODKIVMTAK-ZJUUUORDSA-N 0 3 217.309 0.087 20 0 BCADHN CO[C@@H](CN1CC[C@@H](O)[C@@H](O)C1)C1CCCC1 ZINC000877750466 590414298 /nfs/dbraw/zinc/41/42/98/590414298.db2.gz PYPKDHQPYRJVFL-AGIUHOORSA-N 0 3 243.347 0.619 20 0 BCADHN CCOC(=O)[C@H](F)[C@@H](C)N[C@H](CO)C(C)C ZINC000126767210 590441060 /nfs/dbraw/zinc/44/10/60/590441060.db2.gz VMAJWBRRLVGGHT-OPRDCNLKSA-N 0 3 235.299 0.883 20 0 BCADHN CC(C)C[C@H](C)CN(C)CCS(N)(=O)=O ZINC000877826178 590427946 /nfs/dbraw/zinc/42/79/46/590427946.db2.gz SFZIOHXCXQYCPL-JTQLQIEISA-N 0 3 236.381 0.889 20 0 BCADHN CC(C)[C@@H]1NC(=O)N(C[C@H](C)N(C)C)C1=O ZINC000877875065 590435408 /nfs/dbraw/zinc/43/54/08/590435408.db2.gz STIMCDZAQJCZCH-IUCAKERBSA-N 0 3 227.308 0.513 20 0 BCADHN CC[C@H]1NC(=O)N(C[C@H](C)N(C)C)C1=O ZINC000877878938 590436391 /nfs/dbraw/zinc/43/63/91/590436391.db2.gz ITZYKBIXKRLBEU-JGVFFNPUSA-N 0 3 213.281 0.267 20 0 BCADHN C[C@@H]1CCCCN1CCc1nnnn1C ZINC000877934312 590450831 /nfs/dbraw/zinc/45/08/31/590450831.db2.gz AESOYVJFGYTUBV-SECBINFHSA-N 0 3 209.297 0.627 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCCC[C@@H]2C(N)=O)C1 ZINC000877941871 590454086 /nfs/dbraw/zinc/45/40/86/590454086.db2.gz NWLIKBJTSGQGLJ-OUAUKWLOSA-N 0 3 226.320 0.751 20 0 BCADHN CN(CCO)C[C@@H]1CCC2(CCOCC2)O1 ZINC000877949434 590454387 /nfs/dbraw/zinc/45/43/87/590454387.db2.gz FJDCGZWKHPNLOG-NSHDSACASA-N 0 3 229.320 0.639 20 0 BCADHN c1cc([C@@H]2CCCN(CCn3cnnn3)C2)n[nH]1 ZINC000877975695 590464435 /nfs/dbraw/zinc/46/44/35/590464435.db2.gz CVGJTOAKQPIXQL-SNVBAGLBSA-N 0 3 247.306 0.276 20 0 BCADHN CCN(CCc1nnnn1C)Cc1ccoc1 ZINC000878036109 590477167 /nfs/dbraw/zinc/47/71/67/590477167.db2.gz GOTKWVTZLTYFMZ-UHFFFAOYSA-N 0 3 235.291 0.868 20 0 BCADHN COCCN(CCO)C[C@H]1CC2(CCC2)CO1 ZINC000878040790 590477939 /nfs/dbraw/zinc/47/79/39/590477939.db2.gz OPHCMOAUKPXLET-GFCCVEGCSA-N 0 3 243.347 0.886 20 0 BCADHN CC(C)[C@@H](O)CCN(C)CCN1CCOCC1 ZINC000878046778 590480499 /nfs/dbraw/zinc/48/04/99/590480499.db2.gz ASJUQASNMXRMDA-ZDUSSCGKSA-N 0 3 244.379 0.657 20 0 BCADHN O=C1CCN(C[C@@H]2CCC3(CCC3)O2)CCN1 ZINC000878049260 590481341 /nfs/dbraw/zinc/48/13/41/590481341.db2.gz IDQLXRMVTJFBNO-NSHDSACASA-N 0 3 238.331 0.910 20 0 BCADHN c1cn([C@@H]2CCCN(CCn3cnnn3)C2)cn1 ZINC000878058636 590484360 /nfs/dbraw/zinc/48/43/60/590484360.db2.gz BKKIGWBCXHYCDN-LLVKDONJSA-N 0 3 247.306 0.207 20 0 BCADHN c1cn([C@H]2CCCN(CCn3cnnn3)C2)cn1 ZINC000878058637 590485105 /nfs/dbraw/zinc/48/51/05/590485105.db2.gz BKKIGWBCXHYCDN-NSHDSACASA-N 0 3 247.306 0.207 20 0 BCADHN CCOCCN(CC)C[C@@H](O)CC(C)(C)O ZINC000878085052 590489275 /nfs/dbraw/zinc/48/92/75/590489275.db2.gz DJAUPCXGJBNCKP-NSHDSACASA-N 0 3 233.352 0.867 20 0 BCADHN C[C@@H](O)C1CCN(C[C@@H](O)CC(C)(C)O)CC1 ZINC000878097246 590490609 /nfs/dbraw/zinc/49/06/09/590490609.db2.gz XEPCEXBMKNVKOG-PWSUYJOCSA-N 0 3 245.363 0.601 20 0 BCADHN C[C@@H]1[C@H](C)SCCN1CCn1cnnn1 ZINC000878114535 590497932 /nfs/dbraw/zinc/49/79/32/590497932.db2.gz LHTNHCKDFCIMTI-BDAKNGLRSA-N 0 3 227.337 0.499 20 0 BCADHN OC[C@H]1CCN(C[C@@H](O)CC2(O)CCCC2)C1 ZINC000878126711 590501827 /nfs/dbraw/zinc/50/18/27/590501827.db2.gz YWUIGNDHMOBBJC-RYUDHWBXSA-N 0 3 243.347 0.357 20 0 BCADHN C[C@H](O)CCN(C)C[C@@H](O)CC1(O)CCCC1 ZINC000878133180 590503622 /nfs/dbraw/zinc/50/36/22/590503622.db2.gz HPNXGSJHGDPWCP-RYUDHWBXSA-N 0 3 245.363 0.745 20 0 BCADHN C[C@@H]1CN(CCn2cnnn2)C[C@@H](C)S1 ZINC000878137043 590504286 /nfs/dbraw/zinc/50/42/86/590504286.db2.gz NDXUBVKRZGERTD-RKDXNWHRSA-N 0 3 227.337 0.499 20 0 BCADHN CC(C)(C)SCCCN1C[C@@H](O)[C@@H](O)C1 ZINC000878160435 590510634 /nfs/dbraw/zinc/51/06/34/590510634.db2.gz OZRYWZVMSSJRSL-AOOOYVTPSA-N 0 3 233.377 0.946 20 0 BCADHN CCOC[C@@H]1CCN(CCn2cnnn2)C1 ZINC000878162807 590511824 /nfs/dbraw/zinc/51/18/24/590511824.db2.gz PXYIVQCDVVAQPG-SNVBAGLBSA-N 0 3 225.296 0.032 20 0 BCADHN C=C/C=C/CCN1CCN2C(=O)NC[C@@H]2C1 ZINC000878173872 590515045 /nfs/dbraw/zinc/51/50/45/590515045.db2.gz DAUZEIOMIUVZKU-PGLGOXFNSA-N 0 3 221.304 0.828 20 0 BCADHN c1c[nH]c(C2CCN(CCn3cnnn3)CC2)n1 ZINC000878172401 590515239 /nfs/dbraw/zinc/51/52/39/590515239.db2.gz HFGZKZGSWYVLSO-UHFFFAOYSA-N 0 3 247.306 0.276 20 0 BCADHN CN(C[C@H](O)C1CC1)C[C@@H](O)CC(C)(C)O ZINC000878175454 590516343 /nfs/dbraw/zinc/51/63/43/590516343.db2.gz SAHZGPMWFKHPOI-QWRGUYRKSA-N 0 3 231.336 0.211 20 0 BCADHN c1nnnn1CCN1CC[C@@H]1Cc1ccccc1 ZINC000878176445 590516589 /nfs/dbraw/zinc/51/65/89/590516589.db2.gz HZUQQCARNAYBIX-CYBMUJFWSA-N 0 3 243.314 0.990 20 0 BCADHN CC(C)[C@H](O)CCN(C)CC(C)(CO)CO ZINC000878202229 590524172 /nfs/dbraw/zinc/52/41/72/590524172.db2.gz OTAPBJOFTAJQFE-LLVKDONJSA-N 0 3 233.352 0.316 20 0 BCADHN C[C@H]1COCCCN1C[C@H](O)CC(C)(C)O ZINC000878286713 590534502 /nfs/dbraw/zinc/53/45/02/590534502.db2.gz RSCQUXQFAOCPII-WDEREUQCSA-N 0 3 231.336 0.619 20 0 BCADHN C=C/C=C\CCN1CC[C@H](S(=O)(=O)NC)C1 ZINC000878289608 590535350 /nfs/dbraw/zinc/53/53/50/590535350.db2.gz DLEKMAUWZWURKJ-WYGGZMRJSA-N 0 3 244.360 0.742 20 0 BCADHN C=C/C=C/CCN1CC[C@H](S(=O)(=O)NC)C1 ZINC000878289609 590535878 /nfs/dbraw/zinc/53/58/78/590535878.db2.gz DLEKMAUWZWURKJ-ZWNMCFTASA-N 0 3 244.360 0.742 20 0 BCADHN C[C@H]1CN(Cc2cc[nH]c(=O)c2)CCN1C ZINC000878316066 590542371 /nfs/dbraw/zinc/54/23/71/590542371.db2.gz FRKIQPVLJZETGM-JTQLQIEISA-N 0 3 221.304 0.923 20 0 BCADHN CC(C)[C@H](O)CCN1CC[C@H](NC(N)=O)C1 ZINC000878324955 590546067 /nfs/dbraw/zinc/54/60/67/590546067.db2.gz NXHDSFKRXPEUST-VHSXEESVSA-N 0 3 229.324 0.136 20 0 BCADHN CCN(CCc1nnnn1C)Cc1ccncc1 ZINC000878328169 590547121 /nfs/dbraw/zinc/54/71/21/590547121.db2.gz CTBOESOFUWEHOO-UHFFFAOYSA-N 0 3 246.318 0.670 20 0 BCADHN CN(CCc1ccncc1)CCn1cnnn1 ZINC000878334566 590548269 /nfs/dbraw/zinc/54/82/69/590548269.db2.gz CFAMNHJZHGKHMS-UHFFFAOYSA-N 0 3 232.291 0.243 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000878336467 590549463 /nfs/dbraw/zinc/54/94/63/590549463.db2.gz YGTNPAMGETXMOY-AGIUHOORSA-N 0 3 244.379 0.797 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@H](C)N(C)C[C@H]1C ZINC000878336470 590549522 /nfs/dbraw/zinc/54/95/22/590549522.db2.gz YGTNPAMGETXMOY-XQQFMLRXSA-N 0 3 244.379 0.797 20 0 BCADHN CC(C)OC[C@@H](O)CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000878339871 590550940 /nfs/dbraw/zinc/55/09/40/590550940.db2.gz MFWWHKSNAHSBHR-AVGNSLFASA-N 0 3 244.379 0.797 20 0 BCADHN OCC[C@H](NCCn1cnnn1)c1ccccc1 ZINC000878350148 590553941 /nfs/dbraw/zinc/55/39/41/590553941.db2.gz LUEMAYYKLKTECT-LBPRGKRZSA-N 0 3 247.302 0.386 20 0 BCADHN CN(CCn1cnnn1)C[C@H]1CCCC[C@H]1O ZINC000878385087 590558245 /nfs/dbraw/zinc/55/82/45/590558245.db2.gz LBHPEVNWMBLLKS-GHMZBOCLSA-N 0 3 239.323 0.156 20 0 BCADHN NC(=O)C1(NCCCOC(F)(F)F)CC1 ZINC000878386433 590558972 /nfs/dbraw/zinc/55/89/72/590558972.db2.gz YOGVTGBDXFAQOG-UHFFFAOYSA-N 0 3 226.198 0.520 20 0 BCADHN Cc1ccccc1[C@@H](CO)NCCn1cnnn1 ZINC000878396136 590559347 /nfs/dbraw/zinc/55/93/47/590559347.db2.gz HHANZIUFEXCOOK-GFCCVEGCSA-N 0 3 247.302 0.305 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1CCOCC2(CC2)C1 ZINC000878401345 590560392 /nfs/dbraw/zinc/56/03/92/590560392.db2.gz RXWMUFAFLTZZCR-LLVKDONJSA-N 0 3 243.347 0.621 20 0 BCADHN c1nnnn1CCN[C@H](c1cccnc1)C1CC1 ZINC000878401937 590560768 /nfs/dbraw/zinc/56/07/68/590560768.db2.gz AWHKNKDUQXFYGD-LBPRGKRZSA-N 0 3 244.302 0.809 20 0 BCADHN CC(C)n1cc([C@@H](C)NCCn2cnnn2)cn1 ZINC000878417639 590563372 /nfs/dbraw/zinc/56/33/72/590563372.db2.gz DNIMWOTZYAUASS-SNVBAGLBSA-N 0 3 249.322 0.801 20 0 BCADHN CC1(C)CC[C@@H](CN2C[C@H](O)C[C@H]2CO)OC1 ZINC000878443308 590568763 /nfs/dbraw/zinc/56/87/63/590568763.db2.gz YBRPDPZHXVOASG-TUAOUCFPSA-N 0 3 243.347 0.619 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878442405 590568910 /nfs/dbraw/zinc/56/89/10/590568910.db2.gz MVYSMAFZHRJTHL-WJTVCTBASA-N 0 3 241.331 0.372 20 0 BCADHN CC(C)C[C@H](CO)N(C)CCc1nnnn1C ZINC000878451539 590569521 /nfs/dbraw/zinc/56/95/21/590569521.db2.gz LFQYKWLPVAKRGJ-SNVBAGLBSA-N 0 3 241.339 0.091 20 0 BCADHN C[C@@H]1CCN(CCn2cnnn2)CCS1 ZINC000878510322 590583992 /nfs/dbraw/zinc/58/39/92/590583992.db2.gz JSAJWTBJZZMHLJ-SECBINFHSA-N 0 3 227.337 0.501 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1C[C@@H](O)C(C)(C)C1 ZINC000878532106 590587651 /nfs/dbraw/zinc/58/76/51/590587651.db2.gz PGSMCUHVBNJOKJ-NXEZZACHSA-N 0 3 231.336 0.211 20 0 BCADHN CC(C)[C@H](O)CCN[C@H]1C(=O)NCC[C@H]1C ZINC000878554782 590587706 /nfs/dbraw/zinc/58/77/06/590587706.db2.gz JYXPILFQRUJOLU-GMTAPVOTSA-N 0 3 228.336 0.508 20 0 BCADHN CSCCCN(C)CCn1cnnn1 ZINC000878553812 590591133 /nfs/dbraw/zinc/59/11/33/590591133.db2.gz RZEQMEQNDQZYQV-UHFFFAOYSA-N 0 3 215.326 0.358 20 0 BCADHN CCN1CCN(C[C@H](O)CC(C)(C)O)[C@@H](C)C1 ZINC000878603690 590594984 /nfs/dbraw/zinc/59/49/84/590594984.db2.gz GKXWYPIPGYBOPE-NWDGAFQWSA-N 0 3 244.379 0.534 20 0 BCADHN CN(CCC(N)=O)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878612684 590596533 /nfs/dbraw/zinc/59/65/33/590596533.db2.gz UUVFWTFPCKYNSR-VWYCJHECSA-N 0 3 226.320 0.751 20 0 BCADHN CCC[C@]1(CO)CCN(CCn2cnnn2)C1 ZINC000878626102 590596632 /nfs/dbraw/zinc/59/66/32/590596632.db2.gz MRYZAMBLRUEHET-NSHDSACASA-N 0 3 239.323 0.158 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CC[C@@H](O)C(C)C)C[C@@H]21 ZINC000878642449 590600009 /nfs/dbraw/zinc/60/00/09/590600009.db2.gz PIYASSILNPRBHU-KXNHARMFSA-N 0 3 241.331 0.744 20 0 BCADHN CC(C)[C@@H](O)CCN(C)[C@H]1CCC(=O)N(C)C1 ZINC000878645918 590600936 /nfs/dbraw/zinc/60/09/36/590600936.db2.gz PKKKAEAXCHMWBV-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN CS[C@H]1CCN(CCn2cnnn2)C1 ZINC000878665434 590605819 /nfs/dbraw/zinc/60/58/19/590605819.db2.gz ILVIUAIISAOBGX-QMMMGPOBSA-N 0 3 213.310 0.110 20 0 BCADHN CO[C@@H]1CCN(CCn2cnnn2)CC1(C)C ZINC000878676231 590607926 /nfs/dbraw/zinc/60/79/26/590607926.db2.gz XEMGEKSDBDZZKA-SNVBAGLBSA-N 0 3 239.323 0.420 20 0 BCADHN CO[C@H]1CCN(CCN2CCOC2=O)C[C@@H]1C ZINC000878678799 590608299 /nfs/dbraw/zinc/60/82/99/590608299.db2.gz LGFKVVLIWULFJY-QWRGUYRKSA-N 0 3 242.319 0.795 20 0 BCADHN CO[C@@H]1CCN(CCc2nnnn2C)C[C@@H]1C ZINC000878679336 590608327 /nfs/dbraw/zinc/60/83/27/590608327.db2.gz ZSFSLLIEUKNRNU-VHSXEESVSA-N 0 3 239.323 0.109 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CC3(CCC3)CO2)C[C@H]1O ZINC000878682118 590608892 /nfs/dbraw/zinc/60/88/92/590608892.db2.gz FBGOKLROUAACNH-QJPTWQEYSA-N 0 3 241.331 0.637 20 0 BCADHN C[C@@H](CNC(=O)COC1CC1)N(C)C1CC1 ZINC000878690040 590610767 /nfs/dbraw/zinc/61/07/67/590610767.db2.gz QIYNOSGHYWUIFH-VIFPVBQESA-N 0 3 226.320 0.764 20 0 BCADHN O=C1OCCN1CCN1CC[C@H](CCCO)C1 ZINC000878694740 590611394 /nfs/dbraw/zinc/61/13/94/590611394.db2.gz WUIGWMPDXSSSHS-NSHDSACASA-N 0 3 242.319 0.533 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCN(CCO)C[C@H]2C)C1 ZINC000878695812 590611447 /nfs/dbraw/zinc/61/14/47/590611447.db2.gz YXTIAKZKGHOPAK-UPJWGTAASA-N 0 3 242.363 0.410 20 0 BCADHN CC(C)OC(=O)CCN1CC[C@H](O)[C@@H](CO)C1 ZINC000878714173 590614351 /nfs/dbraw/zinc/61/43/51/590614351.db2.gz JWEUJRYHRUQYMX-MNOVXSKESA-N 0 3 245.319 0.003 20 0 BCADHN CC(=O)N[C@@H]1CCN(CC[C@@H](O)C(C)C)C1 ZINC000878721406 590616134 /nfs/dbraw/zinc/61/61/34/590616134.db2.gz VNXIPUMAXBJLSD-VXGBXAGGSA-N 0 3 228.336 0.604 20 0 BCADHN O[C@@H]1CCN(CCn2cnnn2)C2(CCC2)C1 ZINC000878722888 590616647 /nfs/dbraw/zinc/61/66/47/590616647.db2.gz LFXUVDRFUPFOPY-SNVBAGLBSA-N 0 3 237.307 0.053 20 0 BCADHN CC1(C(N)=O)CN(C[C@@H]2CCC(C)(C)CO2)C1 ZINC000878758070 590618894 /nfs/dbraw/zinc/61/88/94/590618894.db2.gz FEDZXRCDMBIJLD-JTQLQIEISA-N 0 3 240.347 0.999 20 0 BCADHN Cn1nnnc1CCN1CCC12CCCC2 ZINC000878801224 590624676 /nfs/dbraw/zinc/62/46/76/590624676.db2.gz HJJWFPQMLVAFIS-UHFFFAOYSA-N 0 3 221.308 0.771 20 0 BCADHN CO[C@H]1C[C@@H](CN2C[C@@H]3C[C@H]2C[S@@]3=O)C1 ZINC000878811930 590626041 /nfs/dbraw/zinc/62/60/41/590626041.db2.gz NZHHUDUFTADQJX-AOVQSLKQSA-N 0 3 229.345 0.617 20 0 BCADHN FC1(F)C[C@@]12CCCN(CCn1cnnn1)C2 ZINC000878810817 590626557 /nfs/dbraw/zinc/62/65/57/590626557.db2.gz FOFDOASXKIFCPD-SECBINFHSA-N 0 3 243.261 0.794 20 0 BCADHN Cn1nnnc1CCN1CC[C@@]2(CC2(F)F)C1 ZINC000878813422 590627067 /nfs/dbraw/zinc/62/70/67/590627067.db2.gz KEPMNUWGFBTNFH-SECBINFHSA-N 0 3 243.261 0.484 20 0 BCADHN CC(C)[C@H](O)CCN1CCC(O)(CO)CC1 ZINC000878935078 590655771 /nfs/dbraw/zinc/65/57/71/590655771.db2.gz ADLFBKXQXJJRHQ-LLVKDONJSA-N 0 3 231.336 0.213 20 0 BCADHN FCC[C@H]1CCCN(CCn2cnnn2)C1 ZINC000878948954 590658539 /nfs/dbraw/zinc/65/85/39/590658539.db2.gz HWSXPAMDJZUHRN-SNVBAGLBSA-N 0 3 227.287 0.745 20 0 BCADHN Cn1nnnc1CCN1CCC[C@H](CCF)C1 ZINC000878949146 590658577 /nfs/dbraw/zinc/65/85/77/590658577.db2.gz JFODDDBPXUGGHG-SNVBAGLBSA-N 0 3 241.314 0.824 20 0 BCADHN C[C@H](O)CCN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879040185 590684339 /nfs/dbraw/zinc/68/43/39/590684339.db2.gz AXWDUTUFQVAMCN-WCBMZHEXSA-N 0 3 232.299 0.293 20 0 BCADHN COCCCCN1CCC([C@H](F)C(N)=O)CC1 ZINC000879045557 590685632 /nfs/dbraw/zinc/68/56/32/590685632.db2.gz ZSTFYEWKAUPCDT-NSHDSACASA-N 0 3 246.326 0.948 20 0 BCADHN NC(=O)[C@@H](F)C1CCN(C[C@@H]2CCCO2)CC1 ZINC000879046337 590686501 /nfs/dbraw/zinc/68/65/01/590686501.db2.gz ARBOQVDABCEKSJ-QWRGUYRKSA-N 0 3 244.310 0.701 20 0 BCADHN CC(C)N1CCC([C@@H](F)C(N)=O)CC1 ZINC000879047340 590686831 /nfs/dbraw/zinc/68/68/31/590686831.db2.gz NUQYNNBZMFJFDB-SECBINFHSA-N 0 3 202.273 0.930 20 0 BCADHN CN(C)CCN(C)C(=O)COC1CC1 ZINC000879063790 590690119 /nfs/dbraw/zinc/69/01/19/590690119.db2.gz SSEONSJQUAUDKZ-UHFFFAOYSA-N 0 3 200.282 0.185 20 0 BCADHN CC1(C)CO[C@H](CN2C[C@@H]3COC(=O)[C@@H]3C2)C1 ZINC000879066452 590690996 /nfs/dbraw/zinc/69/09/96/590690996.db2.gz OXZUTVLAWWZDCD-OUAUKWLOSA-N 0 3 239.315 0.906 20 0 BCADHN C[C@@H]1CCN(CC[S@](C)=O)[C@H](CO)C1 ZINC000879148808 590702973 /nfs/dbraw/zinc/70/29/73/590702973.db2.gz BNIZBAKGOWJLJX-BFVZDQMLSA-N 0 3 219.350 0.458 20 0 BCADHN COC(CN1CC[C@@H](C)C[C@H]1CO)OC ZINC000879150516 590703324 /nfs/dbraw/zinc/70/33/24/590703324.db2.gz XRZNEOHUTOCVJZ-ZJUUUORDSA-N 0 3 217.309 0.698 20 0 BCADHN COC[C@](C)(CO)NC[C@@H](O)c1ccccn1 ZINC000879162914 590705842 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/nfs/dbraw/zinc/83/43/66/590834366.db2.gz YNOVYZWCNJSMFT-NSHDSACASA-N 0 3 223.320 0.976 20 0 BCADHN CCOC[C@H](O)CN1C[C@H](O)CC(C)(C)C1 ZINC000879619628 590834731 /nfs/dbraw/zinc/83/47/31/590834731.db2.gz YAFHCPLUYGEYDA-GHMZBOCLSA-N 0 3 231.336 0.477 20 0 BCADHN CC(=O)[C@](C)(O)CN[C@@H](C)c1ccnn1C ZINC000879686819 590848360 /nfs/dbraw/zinc/84/83/60/590848360.db2.gz JTBQLWYBUURWIF-GZMMTYOYSA-N 0 3 225.292 0.411 20 0 BCADHN CCC(O)(CC)C(C)(C)NCC(=O)N(C)C ZINC000879696283 590851157 /nfs/dbraw/zinc/85/11/57/590851157.db2.gz BBHHFMVLKVSWOH-UHFFFAOYSA-N 0 3 230.352 0.994 20 0 BCADHN CC(C)CC(=O)N1CCCN(C[C@H](C)O)CC1 ZINC000879760464 590866008 /nfs/dbraw/zinc/86/60/08/590866008.db2.gz CJAPVGQGQFWOEZ-LBPRGKRZSA-N 0 3 242.363 0.948 20 0 BCADHN CCON(CC)C[C@H](O)CN1CCCC1 ZINC000879794730 590873364 /nfs/dbraw/zinc/87/33/64/590873364.db2.gz HMYNWAYWMMRCQS-LLVKDONJSA-N 0 3 216.325 0.717 20 0 BCADHN O=C1NCCC12CCN(CCn1cccn1)CC2 ZINC000879918036 590888865 /nfs/dbraw/zinc/88/88/65/590888865.db2.gz 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244.404 0.880 20 0 BCADHN CN1CC[C@@]2(CCN(C(=O)COC3CC3)C2)C1 ZINC000880096458 590924530 /nfs/dbraw/zinc/92/45/30/590924530.db2.gz MIKIWRDFXIMGFD-CYBMUJFWSA-N 0 3 238.331 0.720 20 0 BCADHN CC[C@@H](O)CN1CCNC(=O)CC12CCC2 ZINC000880167782 590945733 /nfs/dbraw/zinc/94/57/33/590945733.db2.gz RMEBFOUBQNFBDV-SNVBAGLBSA-N 0 3 226.320 0.502 20 0 BCADHN CN(C)CCONC(=O)c1cnc2cc[nH]c2c1 ZINC000880162768 590947985 /nfs/dbraw/zinc/94/79/85/590947985.db2.gz UCEZHCQSZITWAV-UHFFFAOYSA-N 0 3 248.286 0.786 20 0 BCADHN CCC[C@H](O)CN1CCNC(=O)CC12CCC2 ZINC000880167197 590948753 /nfs/dbraw/zinc/94/87/53/590948753.db2.gz JLBKIOCKUKTOLT-NSHDSACASA-N 0 3 240.347 0.892 20 0 BCADHN C[C@H](O)CN1CCNC(=O)CC12CCC2 ZINC000880168032 590948942 /nfs/dbraw/zinc/94/89/42/590948942.db2.gz YEKNVRIPIXNMRH-VIFPVBQESA-N 0 3 212.293 0.112 20 0 BCADHN COCC1(N(C)C[C@H]2COCCO2)CCC1 ZINC000880185074 590952124 /nfs/dbraw/zinc/95/21/24/590952124.db2.gz DSAFHLCNZRTPEN-NSHDSACASA-N 0 3 229.320 0.903 20 0 BCADHN COCC1(N(C)CC[S@](C)=O)CCC1 ZINC000880185479 590954633 /nfs/dbraw/zinc/95/46/33/590954633.db2.gz PUSCNSWAUNSOIE-AWEZNQCLSA-N 0 3 219.350 0.866 20 0 BCADHN COCC1(N(C)CCN2CCOCC2)CCC1 ZINC000880188324 590955935 /nfs/dbraw/zinc/95/59/35/590955935.db2.gz ZOCDKMYKFPCCNG-UHFFFAOYSA-N 0 3 242.363 0.820 20 0 BCADHN FC[C@@H]1CCCN(CCn2cncn2)C1 ZINC000880233038 590964498 /nfs/dbraw/zinc/96/44/98/590964498.db2.gz TXSTXHJRLRBNQK-JTQLQIEISA-N 0 3 212.272 0.960 20 0 BCADHN O=C1NCC[C@H]1N1CCC[C@@H](CF)C1 ZINC000880235217 590965857 /nfs/dbraw/zinc/96/58/57/590965857.db2.gz ZIDQILGTQFVYQL-DTWKUNHWSA-N 0 3 200.257 0.556 20 0 BCADHN O=C(CCN1CCC(F)CC1)N1CCOCC1 ZINC000880242654 590975119 /nfs/dbraw/zinc/97/51/19/590975119.db2.gz GXSDIRQFHNBRNX-UHFFFAOYSA-N 0 3 244.310 0.669 20 0 BCADHN O=C(CN1CC[C@H](CF)C1)N1CCCC1 ZINC000880291035 590985878 /nfs/dbraw/zinc/98/58/78/590985878.db2.gz BBZJKPLCCKXVEO-SNVBAGLBSA-N 0 3 214.284 0.900 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CC[C@@H](CF)C1 ZINC000880291814 590986343 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3 238.331 0.620 20 0 BCADHN CC1(C)OC[C@@H](CN2CC=C[C@@H]2CO)O1 ZINC000880490559 591068324 /nfs/dbraw/zinc/06/83/24/591068324.db2.gz BPVIFWHMWWOBJF-NXEZZACHSA-N 0 3 213.277 0.371 20 0 BCADHN C[C@@H](N[C@@H]1CCC[C@]12CCCO2)C(N)=O ZINC000880513622 591082097 /nfs/dbraw/zinc/08/20/97/591082097.db2.gz IRHWKULPIZTPOO-KKZNHRDASA-N 0 3 212.293 0.552 20 0 BCADHN C[C@H](CO)CN1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880530149 591085007 /nfs/dbraw/zinc/08/50/07/591085007.db2.gz PTLGWDJGFMAFJC-HBNTYKKESA-N 0 3 226.320 0.215 20 0 BCADHN O=C1NCC[C@@H]2CCCN(C[C@@H]3CCCO3)[C@@H]12 ZINC000880530875 591085204 /nfs/dbraw/zinc/08/52/04/591085204.db2.gz IFIVABPEUWIMKC-SDDRHHMPSA-N 0 3 238.331 0.766 20 0 BCADHN O=C1NCC[C@@H]2CCCN(C[C@@H]3CCCO3)[C@H]12 ZINC000880530876 591085529 /nfs/dbraw/zinc/08/55/29/591085529.db2.gz IFIVABPEUWIMKC-SRVKXCTJSA-N 0 3 238.331 0.766 20 0 BCADHN COC(=O)[C@]1(O)CCN(CCOC(C)C)C1 ZINC000880557693 591090687 /nfs/dbraw/zinc/09/06/87/591090687.db2.gz BEZRKBYTAOUCSZ-NSHDSACASA-N 0 3 231.292 0.021 20 0 BCADHN COC(=O)[C@@]1(O)CCN([C@@H]2C=CCCC2)C1 ZINC000880561681 591091593 /nfs/dbraw/zinc/09/15/93/591091593.db2.gz NWMSPUFNLJEYBO-ZYHUDNBSSA-N 0 3 225.288 0.705 20 0 BCADHN CCSCCN1CC[C@](O)(C(=O)OC)C1 ZINC000880562502 591094504 /nfs/dbraw/zinc/09/45/04/591094504.db2.gz MNXUVRBXNVKTSH-SNVBAGLBSA-N 0 3 233.333 0.349 20 0 BCADHN COC(=O)[C@]1(O)CCN(C[C@@H]2CC[C@H](C)O2)C1 ZINC000880565757 591097212 /nfs/dbraw/zinc/09/72/12/591097212.db2.gz HOCZPNQSUTWYQO-NHCYSSNCSA-N 0 3 243.303 0.164 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CCC=C(C)C)C1 ZINC000880568325 591097651 /nfs/dbraw/zinc/09/76/51/591097651.db2.gz WUVQLDMRLIXNGD-GFCCVEGCSA-N 0 3 227.304 0.953 20 0 BCADHN CCC[C@H](O)CN(C)[C@@H](CC(C)C)C(N)=O ZINC000880592171 591101271 /nfs/dbraw/zinc/10/12/71/591101271.db2.gz RSFFFNVGDPLFHB-QWRGUYRKSA-N 0 3 230.352 0.979 20 0 BCADHN COCC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000880596051 591101286 /nfs/dbraw/zinc/10/12/86/591101286.db2.gz YPSLZCKWHOBLSX-SNVBAGLBSA-N 0 3 212.293 0.185 20 0 BCADHN CC(=O)CCN1C[C@H](O)CC2(CCOCC2)C1 ZINC000880589352 591102121 /nfs/dbraw/zinc/10/21/21/591102121.db2.gz POKSZFREMCUTNQ-GFCCVEGCSA-N 0 3 241.331 0.829 20 0 BCADHN Cn1nccc1CCN1CCc2ncncc2C1 ZINC000880599355 591108475 /nfs/dbraw/zinc/10/84/75/591108475.db2.gz KNFKTGUMLULRHK-UHFFFAOYSA-N 0 3 243.314 0.811 20 0 BCADHN CCN(C(=O)COC1CC1)[C@H]1CCN(C)C1 ZINC000880666480 591121283 /nfs/dbraw/zinc/12/12/83/591121283.db2.gz SIOADZZCJVTLIF-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000888849637 591150170 /nfs/dbraw/zinc/15/01/70/591150170.db2.gz YNPAMFRAXMUHQO-OQEOFVATSA-N 0 3 238.331 0.620 20 0 BCADHN CN(C)CCOCCNC(=O)N(C)CCCF ZINC000888857893 591157630 /nfs/dbraw/zinc/15/76/30/591157630.db2.gz JFHGJURFEJXCFP-UHFFFAOYSA-N 0 3 249.330 0.566 20 0 BCADHN CC[C@@H](C(=O)OC)n1cc([C@H](C)N)nn1 ZINC000881135873 591165852 /nfs/dbraw/zinc/16/58/52/591165852.db2.gz MQADXEWEVPUKJH-XPUUQOCRSA-N 0 3 212.253 0.422 20 0 BCADHN CCC[C@H](N)c1cn(CCC2OCCO2)nn1 ZINC000881194995 591168113 /nfs/dbraw/zinc/16/81/13/591168113.db2.gz WRVFDVVLZUQOMZ-VIFPVBQESA-N 0 3 240.307 0.841 20 0 BCADHN COC(CCn1cc([C@@H](N)C(C)C)nn1)OC ZINC000881195516 591168324 /nfs/dbraw/zinc/16/83/24/591168324.db2.gz FFHPYTMLPXGHKK-NSHDSACASA-N 0 3 242.323 0.943 20 0 BCADHN CCC[C@H](N)c1cn(CC(=O)N(C)OC)nn1 ZINC000881197670 591169219 /nfs/dbraw/zinc/16/92/19/591169219.db2.gz KEWKTFVFQRSCFL-QMMMGPOBSA-N 0 3 241.295 0.098 20 0 BCADHN C[C@@H](N)c1cn(Cc2nc(C3CCC3)no2)nn1 ZINC000881309865 591186407 /nfs/dbraw/zinc/18/64/07/591186407.db2.gz JUJBPHONYKBGLR-SSDOTTSWSA-N 0 3 248.290 0.997 20 0 BCADHN C[C@@H](N)c1cn(Cc2ccc(F)cn2)nn1 ZINC000881326097 591192139 /nfs/dbraw/zinc/19/21/39/591192139.db2.gz QKTIFNHRRSWHPK-SSDOTTSWSA-N 0 3 221.239 0.880 20 0 BCADHN C[C@@H](N)c1cn([C@H]2CCN(C3CCC3)C2=O)nn1 ZINC000881335892 591194028 /nfs/dbraw/zinc/19/40/28/591194028.db2.gz LVIJOAIVJZVMGS-KCJUWKMLSA-N 0 3 249.318 0.624 20 0 BCADHN CCn1ncc(Cn2cc(CCN(C)C)nn2)n1 ZINC000881372500 591196908 /nfs/dbraw/zinc/19/69/08/591196908.db2.gz GDNVCAKQBGTTDA-UHFFFAOYSA-N 0 3 249.322 0.042 20 0 BCADHN C[C@@H](N)c1cn(Cc2nc(CC3CC3)no2)nn1 ZINC000881367897 591197259 /nfs/dbraw/zinc/19/72/59/591197259.db2.gz UCTSEJJSKFBERS-SSDOTTSWSA-N 0 3 248.290 0.682 20 0 BCADHN CC(C(=O)N1CCC(F)CC1)S(C)(=O)=O ZINC000881609909 591255815 /nfs/dbraw/zinc/25/58/15/591255815.db2.gz MXLUPFKIKNDRQR-SSDOTTSWSA-N 0 3 237.296 0.380 20 0 BCADHN CN1CC[C@@H](CNc2ncc(C=O)cn2)C1 ZINC000881915492 591278033 /nfs/dbraw/zinc/27/80/33/591278033.db2.gz NKDWNXDHSHQLNI-VIFPVBQESA-N 0 3 220.276 0.653 20 0 BCADHN CN1CC[C@H](CNc2ncc(C=O)cn2)C1 ZINC000881915491 591278059 /nfs/dbraw/zinc/27/80/59/591278059.db2.gz NKDWNXDHSHQLNI-SECBINFHSA-N 0 3 220.276 0.653 20 0 BCADHN Cc1ncnc(NC[C@@]2(O)CCN(C)C2)c1C ZINC000882191105 591314263 /nfs/dbraw/zinc/31/42/63/591314263.db2.gz WTVIPNXZPLXNAP-LBPRGKRZSA-N 0 3 236.319 0.572 20 0 BCADHN CCNS(=O)(=O)CCN[C@H]1CCSC1 ZINC000129511676 591315505 /nfs/dbraw/zinc/31/55/05/591315505.db2.gz RQJAUNFRMIYZRW-QMMMGPOBSA-N 0 3 238.378 0.021 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000882483926 591359312 /nfs/dbraw/zinc/35/93/12/591359312.db2.gz NXQBYWRXBWMMLO-SECBINFHSA-N 0 3 248.330 0.722 20 0 BCADHN CCCN(C)CC(=O)NC[C@H]1CCN1CC ZINC000882485676 591361078 /nfs/dbraw/zinc/36/10/78/591361078.db2.gz KADSWLGBXYHCRA-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H]1CCN1CC ZINC000882485677 591361232 /nfs/dbraw/zinc/36/12/32/591361232.db2.gz KADSWLGBXYHCRA-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN CCN1CC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC000882486408 591361339 /nfs/dbraw/zinc/36/13/39/591361339.db2.gz KKIHJZDRFKPVRM-RYUDHWBXSA-N 0 3 239.363 0.681 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H]1CCN1CC ZINC000882485466 591362394 /nfs/dbraw/zinc/36/23/94/591362394.db2.gz SSDAHKQAHRPZKZ-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H]1CCN1CC)N(C)C ZINC000882489210 591367753 /nfs/dbraw/zinc/36/77/53/591367753.db2.gz OMUNATTZFBPTIO-QWRGUYRKSA-N 0 3 227.352 0.537 20 0 BCADHN CCN1CC[C@H]1CNC(=O)Cn1cncc1C ZINC000882495440 591379100 /nfs/dbraw/zinc/37/91/00/591379100.db2.gz IDRHHTJHYQOWPX-NSHDSACASA-N 0 3 236.319 0.402 20 0 BCADHN CO[C@@H]1CCC[C@H]1NCc1cnnn1C ZINC000129735159 591392531 /nfs/dbraw/zinc/39/25/31/591392531.db2.gz OJIKVGIPDZINGA-NXEZZACHSA-N 0 3 210.281 0.472 20 0 BCADHN C[C@@H](CNC(=O)c1ccnc(CN)c1)N(C)C ZINC000130139176 591441859 /nfs/dbraw/zinc/44/18/59/591441859.db2.gz PUSNVHLNHVBTTE-VIFPVBQESA-N 0 3 236.319 0.220 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](CC(=O)OC)C1CC1 ZINC000130220407 591448743 /nfs/dbraw/zinc/44/87/43/591448743.db2.gz HZZGFYXRBKWELW-BDAKNGLRSA-N 0 3 228.292 0.182 20 0 BCADHN C[C@@H](O)CNCc1ccc2oc(=O)oc2c1 ZINC000882877735 591460060 /nfs/dbraw/zinc/46/00/60/591460060.db2.gz CDSNWZJQDNYKGY-SSDOTTSWSA-N 0 3 223.228 0.856 20 0 BCADHN CC[S@@](=O)CCNCc1ccncc1N ZINC000882990790 591498010 /nfs/dbraw/zinc/49/80/10/591498010.db2.gz AGZSLFHRGRGPCE-OAHLLOKOSA-N 0 3 227.333 0.522 20 0 BCADHN N=C(CO)NOCc1cc(C2CC2)no1 ZINC000883013290 591513793 /nfs/dbraw/zinc/51/37/93/591513793.db2.gz KICYRJQOVHCGHR-UHFFFAOYSA-N 0 3 211.221 0.543 20 0 BCADHN CO[C@@H](C)[C@H](C)NCCS(=O)(=O)CC1CC1 ZINC000130841885 591529190 /nfs/dbraw/zinc/52/91/90/591529190.db2.gz GWYSDERBXFTSPG-UWVGGRQHSA-N 0 3 249.376 0.824 20 0 BCADHN CCNC(=O)CN[C@@H](COC)[C@@H]1CCCOC1 ZINC000883166588 591558152 /nfs/dbraw/zinc/55/81/52/591558152.db2.gz DKLWKAOTQJDJMG-MNOVXSKESA-N 0 3 244.335 0.154 20 0 BCADHN Cn1nncc1CNC[C@@H]1CSCCS1 ZINC000131155656 591558750 /nfs/dbraw/zinc/55/87/50/591558750.db2.gz JNONCVRMKGTHPV-SECBINFHSA-N 0 3 244.389 0.753 20 0 BCADHN CON(C)CCNCc1c(C)n[nH]c1C ZINC000883172657 591558779 /nfs/dbraw/zinc/55/87/79/591558779.db2.gz OPMLODMVVMRZPE-UHFFFAOYSA-N 0 3 212.297 0.609 20 0 BCADHN CON(C)CCNCc1ccncc1N ZINC000883170766 591560971 /nfs/dbraw/zinc/56/09/71/591560971.db2.gz CDTJAMCEALQHGG-UHFFFAOYSA-N 0 3 210.281 0.247 20 0 BCADHN CON(C)CCNCc1cccc2c1OCO2 ZINC000883172961 591562431 /nfs/dbraw/zinc/56/24/31/591562431.db2.gz YRXMZESLNWOVMD-UHFFFAOYSA-N 0 3 238.287 0.998 20 0 BCADHN O=c1oc2ccc(CN[C@H]3C[C@H](O)C3)cc2o1 ZINC000883181941 591563218 /nfs/dbraw/zinc/56/32/18/591563218.db2.gz OGTWKFXQGABNCY-KYZUINATSA-N 0 3 235.239 0.999 20 0 BCADHN COC[C@@H](NCC(=O)N(C)C)[C@H]1CCCOC1 ZINC000883214063 591575715 /nfs/dbraw/zinc/57/57/15/591575715.db2.gz WTDPOQVGTWZGKR-WDEREUQCSA-N 0 3 244.335 0.106 20 0 BCADHN COC[C@H](NCC(=O)N(C)C)[C@@H]1CCCOC1 ZINC000883214061 591575925 /nfs/dbraw/zinc/57/59/25/591575925.db2.gz WTDPOQVGTWZGKR-MNOVXSKESA-N 0 3 244.335 0.106 20 0 BCADHN OC[C@@H](CNCc1cn[nH]c1)Cc1ccoc1 ZINC000883269822 591602789 /nfs/dbraw/zinc/60/27/89/591602789.db2.gz XQEUMUVPPYQCPR-LLVKDONJSA-N 0 3 235.287 0.944 20 0 BCADHN CN(CC(=O)NC(C)(C)C)C[C@@H]1C[C@H](F)CN1 ZINC000883419228 591655096 /nfs/dbraw/zinc/65/50/96/591655096.db2.gz FTCBNSJCRUCDNE-UWVGGRQHSA-N 0 3 245.342 0.533 20 0 BCADHN CC(C)[C@@H]1C(=O)NCCN1C[C@@H]1C[C@H](F)CN1 ZINC000883421507 591657934 /nfs/dbraw/zinc/65/79/34/591657934.db2.gz NUKPZIVIHOACBN-GARJFASQSA-N 0 3 243.326 0.143 20 0 BCADHN FC(F)[C@H]1CNCCN1CCc1cn[nH]c1 ZINC000883428104 591660016 /nfs/dbraw/zinc/66/00/16/591660016.db2.gz LWLBRPGLKSEQRH-SECBINFHSA-N 0 3 230.262 0.491 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000131860664 591672359 /nfs/dbraw/zinc/67/23/59/591672359.db2.gz XVXNZRRLRBIHKC-OPRDCNLKSA-N 0 3 213.325 0.179 20 0 BCADHN CC(C)C[C@H](O)CN[C@@H](C)CS(C)(=O)=O ZINC000132135848 591689261 /nfs/dbraw/zinc/68/92/61/591689261.db2.gz FHTWLKZWHVLJQS-UWVGGRQHSA-N 0 3 237.365 0.416 20 0 BCADHN CO[C@H]1C[C@H](CNC(=O)NC[C@H](C)N(C)C)C1 ZINC000883679176 591716809 /nfs/dbraw/zinc/71/68/09/591716809.db2.gz BPKVPHXNSQSMOC-DCAQKATOSA-N 0 3 243.351 0.661 20 0 BCADHN CC1(C)CNCCN1C(=O)c1ccnnc1 ZINC000132560119 591719483 /nfs/dbraw/zinc/71/94/83/591719483.db2.gz RBEXUQJYPWNMGJ-UHFFFAOYSA-N 0 3 220.276 0.301 20 0 BCADHN C[C@@H](CCO)NCc1cc(=O)n2ccccc2n1 ZINC000132890323 591746972 /nfs/dbraw/zinc/74/69/72/591746972.db2.gz ZUUQJBPYGYCABA-JTQLQIEISA-N 0 3 247.298 0.555 20 0 BCADHN C[C@H](CCO)N[C@@H](C)C(=O)NCc1ccco1 ZINC000132891735 591747039 /nfs/dbraw/zinc/74/70/39/591747039.db2.gz SSLNIELDYTUXQO-ZJUUUORDSA-N 0 3 240.303 0.645 20 0 BCADHN C[C@@H](CCO)NCC(=O)NCC(F)(F)F ZINC000133016885 591755973 /nfs/dbraw/zinc/75/59/73/591755973.db2.gz SQDGTULVEBPQGT-LURJTMIESA-N 0 3 228.214 0.025 20 0 BCADHN C[C@H](CCO)NCC(=O)NC1CCCC1 ZINC000133071491 591761319 /nfs/dbraw/zinc/76/13/19/591761319.db2.gz JJYGOASSYIYMAY-SECBINFHSA-N 0 3 214.309 0.406 20 0 BCADHN CCn1cc(CN2CCN(CC3CC3)CC2)nn1 ZINC000883998386 591789532 /nfs/dbraw/zinc/78/95/32/591789532.db2.gz NODYEQNMQPDPRY-UHFFFAOYSA-N 0 3 249.362 0.826 20 0 BCADHN CC(=O)c1cncc(C(=O)N2CCCNCC2)c1 ZINC000884008819 591796867 /nfs/dbraw/zinc/79/68/67/591796867.db2.gz CCPFCHYWBBEGEL-UHFFFAOYSA-N 0 3 247.298 0.720 20 0 BCADHN COc1ccc(N)c(NC(=O)[C@H](CN)OC)c1 ZINC000884010235 591797275 /nfs/dbraw/zinc/79/72/75/591797275.db2.gz WRSLQVZXBHCCFH-JTQLQIEISA-N 0 3 239.275 0.190 20 0 BCADHN O=C(Cc1ccc(F)cn1)N1CCCNCC1 ZINC000884009591 591797429 /nfs/dbraw/zinc/79/74/29/591797429.db2.gz AKRZULIIJSESTD-UHFFFAOYSA-N 0 3 237.278 0.585 20 0 BCADHN O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCCNCC1 ZINC000884010238 591797719 /nfs/dbraw/zinc/79/77/19/591797719.db2.gz WTHAFFIDEYJURY-SDDRHHMPSA-N 0 3 238.331 0.623 20 0 BCADHN O=C(COCc1ccccn1)N1CCCNCC1 ZINC000884009803 591797889 /nfs/dbraw/zinc/79/78/89/591797889.db2.gz IOCHBJROCVIPAU-UHFFFAOYSA-N 0 3 249.314 0.420 20 0 BCADHN CC[S@](=O)CCN[C@@H](C)c1cnn(C)c1 ZINC000133479005 591799785 /nfs/dbraw/zinc/79/97/85/591799785.db2.gz XNUMMAZLRUOLPQ-BJOHPYRUSA-N 0 3 229.349 0.839 20 0 BCADHN CCOC[C@H](C)NCC[S@](=O)CC ZINC000133495136 591804592 /nfs/dbraw/zinc/80/45/92/591804592.db2.gz KSDWAQPMQQVPOU-ZANVPECISA-N 0 3 207.339 0.770 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000884048506 591826808 /nfs/dbraw/zinc/82/68/08/591826808.db2.gz NGJOWWDYZRQNND-BBBLOLIVSA-N 0 3 214.309 0.655 20 0 BCADHN CCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC ZINC000884058193 591834361 /nfs/dbraw/zinc/83/43/61/591834361.db2.gz DKADOQJZIYCLMV-ZJUUUORDSA-N 0 3 243.351 0.261 20 0 BCADHN CN[C@@H](CC(C)C)C(=O)NCC(=O)NC1CC1 ZINC000884059740 591834944 /nfs/dbraw/zinc/83/49/44/591834944.db2.gz DCAXYLNWUSAYFY-JTQLQIEISA-N 0 3 241.335 0.015 20 0 BCADHN COCC[C@@H](N)C(=O)Nn1cnc2ccccc21 ZINC000884060626 591836230 /nfs/dbraw/zinc/83/62/30/591836230.db2.gz FUWCLMLXPZRGCA-SECBINFHSA-N 0 3 248.286 0.470 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000884102444 591850022 /nfs/dbraw/zinc/85/00/22/591850022.db2.gz CSQAHOLKTUNMGF-DCAQKATOSA-N 0 3 228.336 0.903 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@H](N)CC2CC2)n1 ZINC000884113580 591854923 /nfs/dbraw/zinc/85/49/23/591854923.db2.gz VHNCLLSJYBYDQB-HZGVNTEJSA-N 0 3 238.291 0.683 20 0 BCADHN C[C@H](NCC[S@](C)=O)c1cnn(C)c1 ZINC000133818089 591860865 /nfs/dbraw/zinc/86/08/65/591860865.db2.gz SXPVQDXYNCERMD-RMLUDKJBSA-N 0 3 215.322 0.449 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccnn1CC1CC1 ZINC000884133822 591858801 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3 245.326 0.993 20 0 BCADHN C[C@H](O)c1ccc(NCCN(C)CCO)nc1 ZINC000884826103 592023444 /nfs/dbraw/zinc/02/34/44/592023444.db2.gz HLGRBQBKJJUJFG-JTQLQIEISA-N 0 3 239.319 0.471 20 0 BCADHN CN(CCO)CCNc1nccc2cccnc21 ZINC000884826237 592023458 /nfs/dbraw/zinc/02/34/58/592023458.db2.gz QQKDVMACXFHUQP-UHFFFAOYSA-N 0 3 246.314 0.966 20 0 BCADHN COc1cccnc1NCCN(C)CCO ZINC000884826113 592023545 /nfs/dbraw/zinc/02/35/45/592023545.db2.gz IAOIINZEECSMNV-UHFFFAOYSA-N 0 3 225.292 0.426 20 0 BCADHN CCc1cc(C)nc(NCCN(C)CCO)n1 ZINC000884825361 592023753 /nfs/dbraw/zinc/02/37/53/592023753.db2.gz SAUDZHLNKBAMAL-UHFFFAOYSA-N 0 3 238.335 0.683 20 0 BCADHN CN(CCO)CCNc1cc(Cl)n[nH]c1=O ZINC000884825981 592023884 /nfs/dbraw/zinc/02/38/84/592023884.db2.gz AVEZMXXOSPLWSD-UHFFFAOYSA-N 0 3 246.698 0.172 20 0 BCADHN Cc1cc(NCCN(C)CCO)nc(F)n1 ZINC000884826092 592023940 /nfs/dbraw/zinc/02/39/40/592023940.db2.gz GTPRUDXOCMEIPA-UHFFFAOYSA-N 0 3 228.271 0.260 20 0 BCADHN CCN(CC)CCOC(=O)C[C@H]1CCNC1=O ZINC000884917498 592028634 /nfs/dbraw/zinc/02/86/34/592028634.db2.gz GYLMHJWWRCGCPN-SNVBAGLBSA-N 0 3 242.319 0.398 20 0 BCADHN CN(CCN)C(=O)C(=O)NCCCCC1CC1 ZINC000884989374 592032194 /nfs/dbraw/zinc/03/21/94/592032194.db2.gz NRKQIIZNTQQOOU-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN C[C@@H]1[C@H](C(=O)N2CCCC(=O)[C@@H]2C)CCN1C ZINC000885057590 592042217 /nfs/dbraw/zinc/04/22/17/592042217.db2.gz BTUIJFFHVGCQHT-OUAUKWLOSA-N 0 3 238.331 0.907 20 0 BCADHN COCCOC(=O)NC[C@H]1CCN(C)C1 ZINC000885228224 592059759 /nfs/dbraw/zinc/05/97/59/592059759.db2.gz QBNHYBMDYFKIDA-SECBINFHSA-N 0 3 216.281 0.311 20 0 BCADHN C[C@@H]1[C@H](C(=O)N2CC(=O)CC[C@H]2C)CCN1C ZINC000885075992 592046647 /nfs/dbraw/zinc/04/66/47/592046647.db2.gz KYUYFBRSDBTKJZ-CKYFFXLPSA-N 0 3 238.331 0.907 20 0 BCADHN COCCOC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000885203838 592057840 /nfs/dbraw/zinc/05/78/40/592057840.db2.gz AZXXZHXUEKSHPV-GFCCVEGCSA-N 0 3 242.319 0.797 20 0 BCADHN CS(=O)(=O)CCN[C@H]1CCN2CCCC[C@@H]12 ZINC000216625140 592058611 /nfs/dbraw/zinc/05/86/11/592058611.db2.gz VIMYHNXSHVMEMC-QWRGUYRKSA-N 0 3 246.376 0.247 20 0 BCADHN COCCOC(=O)N(C)C[C@@H]1CCCN1C ZINC000885251835 592060922 /nfs/dbraw/zinc/06/09/22/592060922.db2.gz NYHDEVBMVSADDV-JTQLQIEISA-N 0 3 230.308 0.795 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](OCC)C1 ZINC000885344911 592071535 /nfs/dbraw/zinc/07/15/35/592071535.db2.gz XHCAERVZSVSLHA-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CN1CCCN(C[C@](C)(O)C(F)F)CC1 ZINC000885944434 592112455 /nfs/dbraw/zinc/11/24/55/592112455.db2.gz PRZZFTWVXYAQIC-JTQLQIEISA-N 0 3 222.279 0.640 20 0 BCADHN CCNC(=O)CN(CC)C[C@H]1C[C@@]12CCOC2 ZINC000885940854 592111918 /nfs/dbraw/zinc/11/19/18/592111918.db2.gz TXNLBOACEPUGSW-DGCLKSJQSA-N 0 3 240.347 0.871 20 0 BCADHN CN1CCCN(C[C@@](C)(O)C(F)F)CC1 ZINC000885944435 592112737 /nfs/dbraw/zinc/11/27/37/592112737.db2.gz PRZZFTWVXYAQIC-SNVBAGLBSA-N 0 3 222.279 0.640 20 0 BCADHN Cc1[nH]nc(CN[C@@H]2CC(=O)N(C)C2)c1C ZINC000885960074 592115900 /nfs/dbraw/zinc/11/59/00/592115900.db2.gz 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HTLAIYMQGRIZAS-JTQLQIEISA-N 0 3 223.263 0.849 20 0 BCADHN Cc1[nH]nc(CN[C@@]2(CO)CCOC2)c1C ZINC000886061849 592141886 /nfs/dbraw/zinc/14/18/86/592141886.db2.gz AKGPJUDZRBQFQS-LLVKDONJSA-N 0 3 225.292 0.268 20 0 BCADHN COC[C@H](CNCc1[nH]nc(C)c1C)OC ZINC000886059961 592141939 /nfs/dbraw/zinc/14/19/39/592141939.db2.gz PZFWJFMSXQKKBS-JTQLQIEISA-N 0 3 227.308 0.778 20 0 BCADHN COC[C@H](CNCc1n[nH]c(C)c1C)OC ZINC000886059961 592141941 /nfs/dbraw/zinc/14/19/41/592141941.db2.gz PZFWJFMSXQKKBS-JTQLQIEISA-N 0 3 227.308 0.778 20 0 BCADHN C([C@H]1C[C@]12CCOC2)N1CCC2(C1)OCCO2 ZINC000886062659 592142026 /nfs/dbraw/zinc/14/20/26/592142026.db2.gz UGSCIUZLXHVAMB-NEPJUHHUSA-N 0 3 239.315 0.862 20 0 BCADHN Cc1n[nH]c(CNCCCOCCO)c1C ZINC000886059476 592142157 /nfs/dbraw/zinc/14/21/57/592142157.db2.gz FJHODCSCXNHSOU-UHFFFAOYSA-N 0 3 227.308 0.515 20 0 BCADHN CN(C[C@@H]1C[C@]12CCOC2)[C@@H]1CCNC1=O ZINC000886089663 592145928 /nfs/dbraw/zinc/14/59/28/592145928.db2.gz GQKQDFQLIBNHKC-UMNHJUIQSA-N 0 3 224.304 0.233 20 0 BCADHN C[C@@H]1CC(=O)NCCN1C[C@H]1C[C@@]12CCOC2 ZINC000886091457 592146946 /nfs/dbraw/zinc/14/69/46/592146946.db2.gz AKTMPJVSYMZQPL-NQBHXWOUSA-N 0 3 238.331 0.623 20 0 BCADHN Cc1n[nH]c(CNC[C@@]2(O)CCO[C@H]2C)c1C ZINC000886099360 592148610 /nfs/dbraw/zinc/14/86/10/592148610.db2.gz YAIQDIQQGZGDTQ-JQWIXIFHSA-N 0 3 239.319 0.656 20 0 BCADHN COC(CN1CCC[C@H]([C@H](C)O)C1)OC ZINC000136799965 592151229 /nfs/dbraw/zinc/15/12/29/592151229.db2.gz MSPXKLBNJIYCRD-UWVGGRQHSA-N 0 3 217.309 0.698 20 0 BCADHN Cc1[nH]nc(CN[C@H]2C(=O)NCC[C@H]2C)c1C ZINC000886104796 592155237 /nfs/dbraw/zinc/15/52/37/592155237.db2.gz KTYWSFNFWULRRG-RDDDGLTNSA-N 0 3 236.319 0.641 20 0 BCADHN COC[C@@H](O)CNCc1[nH]nc(C)c1C ZINC000886110048 592156596 /nfs/dbraw/zinc/15/65/96/592156596.db2.gz XIWTYRNONFDZMD-VIFPVBQESA-N 0 3 213.281 0.123 20 0 BCADHN COC[C@@H](O)CNCc1n[nH]c(C)c1C ZINC000886110048 592156597 /nfs/dbraw/zinc/15/65/97/592156597.db2.gz XIWTYRNONFDZMD-VIFPVBQESA-N 0 3 213.281 0.123 20 0 BCADHN CN(C[C@](C)(O)C(F)F)C1CC(O)C1 ZINC000886134258 592160688 /nfs/dbraw/zinc/16/06/88/592160688.db2.gz NKTUGFSIVXTSEQ-IEIXJENWSA-N 0 3 209.236 0.458 20 0 BCADHN Cc1n[nH]c(CNCCCc2ncn(C)n2)c1C ZINC000886151443 592163458 /nfs/dbraw/zinc/16/34/58/592163458.db2.gz KMAOGODRRQRHBQ-UHFFFAOYSA-N 0 3 248.334 0.877 20 0 BCADHN Cc1n[nH]c(CNC[C@@H](O)[C@H]2CCCO2)c1C ZINC000886167998 592167306 /nfs/dbraw/zinc/16/73/06/592167306.db2.gz GFFSTPLSXUELOW-VXGBXAGGSA-N 0 3 239.319 0.656 20 0 BCADHN Cc1[nH]nc(CNC[C@@H](O)[C@H]2CCCO2)c1C ZINC000886167998 592167308 /nfs/dbraw/zinc/16/73/08/592167308.db2.gz GFFSTPLSXUELOW-VXGBXAGGSA-N 0 3 239.319 0.656 20 0 BCADHN Cc1nnc(SCCN2CCCCC2)n1N ZINC000137285833 592167980 /nfs/dbraw/zinc/16/79/80/592167980.db2.gz YQSQEHHVOPDQTD-UHFFFAOYSA-N 0 3 241.364 0.878 20 0 BCADHN Cc1cn[nH]c1CN1CCN(c2ncc[nH]2)CC1 ZINC000886173636 592169101 /nfs/dbraw/zinc/16/91/01/592169101.db2.gz VMYFAHKEMTUJMB-UHFFFAOYSA-N 0 3 246.318 0.763 20 0 BCADHN Cc1[nH]nc(CN[C@@H]2COCC[C@H]2O)c1C ZINC000886176380 592170925 /nfs/dbraw/zinc/17/09/25/592170925.db2.gz AKZMVGJPCKTAJF-GHMZBOCLSA-N 0 3 225.292 0.266 20 0 BCADHN C([C@H]1C[C@@]12CCOC2)N1C[C@@H]2COC[C@H](C1)O2 ZINC000886192314 592173540 /nfs/dbraw/zinc/17/35/40/592173540.db2.gz QZSWZUCOGBUXQP-FVCCEPFGSA-N 0 3 239.315 0.513 20 0 BCADHN C[C@@](O)(CN(CCO)CC1CC1)C(F)F ZINC000886201671 592175013 /nfs/dbraw/zinc/17/50/13/592175013.db2.gz NEJILIPQVVGTFT-SNVBAGLBSA-N 0 3 223.263 0.707 20 0 BCADHN CN(CCC(N)=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886204777 592175889 /nfs/dbraw/zinc/17/58/89/592175889.db2.gz PZRXEVLDFIMCBA-WDEREUQCSA-N 0 3 226.320 0.751 20 0 BCADHN O=CN1CCCN(CCCCCCO)CC1 ZINC000886213550 592178553 /nfs/dbraw/zinc/17/85/53/592178553.db2.gz VRPUBJYJLSOPAG-UHFFFAOYSA-N 0 3 228.336 0.703 20 0 BCADHN CN(C[C@H]1C[C@]12CCOC2)C(C)(C)C(N)=O ZINC000886220514 592179304 /nfs/dbraw/zinc/17/93/04/592179304.db2.gz JLXPYUMPEOTIPT-SKDRFNHKSA-N 0 3 226.320 0.609 20 0 BCADHN OC[C@H](C[C@H]1CCCO1)NCc1cncnc1 ZINC000886229050 592181161 /nfs/dbraw/zinc/18/11/61/592181161.db2.gz KIEVGSMHJVSVLC-NWDGAFQWSA-N 0 3 237.303 0.496 20 0 BCADHN O[C@@H]1C[C@@H](NCc2cnc3ccccn23)C[C@@H]1O ZINC000886243208 592183412 /nfs/dbraw/zinc/18/34/12/592183412.db2.gz REUSRXRBSXSHLB-WLLOZRIZSA-N 0 3 247.298 0.308 20 0 BCADHN COc1ccc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)cn1 ZINC000886245326 592184213 /nfs/dbraw/zinc/18/42/13/592184213.db2.gz RPKBTYJPHRLZKE-RTCCRHLQSA-N 0 3 238.287 0.064 20 0 BCADHN Cc1c[nH]nc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000886246936 592185046 /nfs/dbraw/zinc/18/50/46/592185046.db2.gz BMSZGSJOWQCGKL-JQWIXIFHSA-N 0 3 239.319 0.595 20 0 BCADHN O[C@@H]1C[C@@H](NCc2ccns2)C[C@@H]1O ZINC000886247284 592185257 /nfs/dbraw/zinc/18/52/57/592185257.db2.gz MPNOFNARCAWWAI-VJKWBMGZSA-N 0 3 214.290 0.117 20 0 BCADHN CN(C[C@@H]1COCCO1)C[C@@](C)(O)C(F)F ZINC000886278453 592197666 /nfs/dbraw/zinc/19/76/66/592197666.db2.gz AENAORDJVBHPGI-PSASIEDQSA-N 0 3 239.262 0.350 20 0 BCADHN COc1cncc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000886253849 592187547 /nfs/dbraw/zinc/18/75/47/592187547.db2.gz LYOUGMGWZOCRJW-YHPBZONMSA-N 0 3 238.287 0.064 20 0 BCADHN O[C@@H]1CC[C@H](NCc2ccncc2)CC[C@@H]1O ZINC000886258142 592189144 /nfs/dbraw/zinc/18/91/44/592189144.db2.gz WZBRSMRPVCOFTM-CLLJXQQHSA-N 0 3 236.315 0.836 20 0 BCADHN Cc1cccc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000886257528 592189264 /nfs/dbraw/zinc/18/92/64/592189264.db2.gz CPVQCVHNZVDWJI-CLLJXQQHSA-N 0 3 221.300 0.969 20 0 BCADHN CC1(C(N)=O)CN(C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886264346 592189924 /nfs/dbraw/zinc/18/99/24/592189924.db2.gz XGWNULRTPPBXQQ-MNOVXSKESA-N 0 3 238.331 0.751 20 0 BCADHN O=C(NCc1cncc([O-])c1)C12CC[NH+](CC1)C2 ZINC000886272960 592194164 /nfs/dbraw/zinc/19/41/64/592194164.db2.gz IDAQKRLTXAPVMN-UHFFFAOYSA-N 0 3 247.298 0.499 20 0 BCADHN C[C@](O)(CN[C@H]1C[C@@H](O)C12CCC2)C(F)F ZINC000886281139 592197938 /nfs/dbraw/zinc/19/79/38/592197938.db2.gz SXTKSULDNBGTDQ-XKSSXDPKSA-N 0 3 235.274 0.896 20 0 BCADHN CO[C@@H]1CN(Cc2[nH]ncc2C)[C@@](C)(CO)C1 ZINC000886307311 592204191 /nfs/dbraw/zinc/20/41/91/592204191.db2.gz OZLXCPKNUFQXHZ-CMPLNLGQSA-N 0 3 239.319 0.690 20 0 BCADHN O=C1NCCN1CCNCC1(F)CC1 ZINC000886324065 592208060 /nfs/dbraw/zinc/20/80/60/592208060.db2.gz XYFURTJNNHEMOJ-UHFFFAOYSA-N 0 3 201.245 0.103 20 0 BCADHN C[C@@H]1CN(CCN2C[C@@H]3C[C@@H]3C2)CCO1 ZINC000886346744 592213519 /nfs/dbraw/zinc/21/35/19/592213519.db2.gz QGXDCXQTVFGALL-UTUOFQBUSA-N 0 3 210.321 0.659 20 0 BCADHN OC[C@@H]1CN(CCCF)CCN1CCCF ZINC000886373676 592221808 /nfs/dbraw/zinc/22/18/08/592221808.db2.gz YJNAQLZQVOFKEW-NSHDSACASA-N 0 3 236.306 0.684 20 0 BCADHN NC(=O)Cn1cc(CNC2(C3CC3)CCC2)nn1 ZINC000886389570 592222071 /nfs/dbraw/zinc/22/20/71/592222071.db2.gz PABQGIFQOQNKFL-UHFFFAOYSA-N 0 3 249.318 0.186 20 0 BCADHN c1nnn2c1CN(C[C@H]1CCCOC1)CCC2 ZINC000886457779 592226973 /nfs/dbraw/zinc/22/69/73/592226973.db2.gz OIWQZLZWPJLWDV-LLVKDONJSA-N 0 3 236.319 0.910 20 0 BCADHN CN1CCC[C@@H]1CN1CCCn2nncc2C1 ZINC000886467222 592229516 /nfs/dbraw/zinc/22/95/16/592229516.db2.gz YTQJDKOGKJOQPF-LLVKDONJSA-N 0 3 235.335 0.578 20 0 BCADHN c1nnn2c1CN(C[C@@H]1C[C@@]13CCOC3)CCC2 ZINC000886468500 592229736 /nfs/dbraw/zinc/22/97/36/592229736.db2.gz DHIJIQZQUQWPIF-WCQYABFASA-N 0 3 248.330 0.910 20 0 BCADHN CN(C[C@@](C)(O)C(F)F)[C@@H]1CCC[C@H]1O ZINC000886481839 592231720 /nfs/dbraw/zinc/23/17/20/592231720.db2.gz HVMOXNGCHDAXGR-NQMVMOMDSA-N 0 3 223.263 0.848 20 0 BCADHN CN(CC[C@@H]1COC(C)(C)O1)[C@@H]1COC[C@H]1O ZINC000886516682 592242217 /nfs/dbraw/zinc/24/22/17/592242217.db2.gz UATXEHIMJFDFON-GMTAPVOTSA-N 0 3 245.319 0.220 20 0 BCADHN C[C@H]1OCC[C@H]1CN(C)[C@@H]1COC[C@H]1O ZINC000886517971 592242554 /nfs/dbraw/zinc/24/25/54/592242554.db2.gz YNSDGQOQLWTGSV-LMLFDSFASA-N 0 3 215.293 0.103 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](NCC(=O)N(C)C)C1 ZINC000886581676 592269253 /nfs/dbraw/zinc/26/92/53/592269253.db2.gz ITQUWLQOJGDSCH-RKDXNWHRSA-N 0 3 228.292 0.006 20 0 BCADHN COC[C@@H](O)CN[C@H](c1cnn(C)c1)C(C)C ZINC000886607141 592272593 /nfs/dbraw/zinc/27/25/93/592272593.db2.gz LRPWIQSZCPWMHJ-RYUDHWBXSA-N 0 3 241.335 0.714 20 0 BCADHN COC(=O)[C@@H]1CC[C@H](N[C@H]2COC[C@H]2OC)C1 ZINC000886625645 592280954 /nfs/dbraw/zinc/28/09/54/592280954.db2.gz WMCPPNYUYSXDBS-VPOLOUISSA-N 0 3 243.303 0.332 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H](N[C@@H]2COCC[C@H]2O)C1 ZINC000886646132 592289283 /nfs/dbraw/zinc/28/92/83/592289283.db2.gz AESIBESGDKFLEM-GWOFURMSSA-N 0 3 243.303 0.068 20 0 BCADHN Cc1nc(C2CCN(CC(N)=O)CC2)[nH]c1C ZINC000886670006 592298063 /nfs/dbraw/zinc/29/80/63/592298063.db2.gz HUCZQWPUGZHCPE-UHFFFAOYSA-N 0 3 236.319 0.691 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@H]1CC[C@@H]1OC)N(C)C ZINC000889317385 592318092 /nfs/dbraw/zinc/31/80/92/592318092.db2.gz HCWSONSCTFMPID-DCAQKATOSA-N 0 3 228.336 0.962 20 0 BCADHN CN1CCC(N[C@H](CCO)C(F)(F)F)CC1 ZINC000886796993 592328724 /nfs/dbraw/zinc/32/87/24/592328724.db2.gz MQOBPRFNUYFQMX-SECBINFHSA-N 0 3 240.269 0.984 20 0 BCADHN C[C@H](O)CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886810959 592335507 /nfs/dbraw/zinc/33/55/07/592335507.db2.gz IGHXWZRVIGVTKM-JGVFFNPUSA-N 0 3 227.226 0.614 20 0 BCADHN CN(C)C(=O)CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886816310 592338659 /nfs/dbraw/zinc/33/86/59/592338659.db2.gz REEBJLGYMGBNAS-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN O=C(CN1CC[C@H]([C@@H]2CCCO2)C1)NC1CC1 ZINC000886838054 592358199 /nfs/dbraw/zinc/35/81/99/592358199.db2.gz QTMCKOIGNQHMQQ-JQWIXIFHSA-N 0 3 238.331 0.766 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@@H](O)CSC)C1 ZINC000886854325 592367029 /nfs/dbraw/zinc/36/70/29/592367029.db2.gz JQUXRTCZMIQYPM-DTWKUNHWSA-N 0 3 248.348 0.141 20 0 BCADHN COC(=O)N[C@H]1CCN(C[C@H]2CCOC2)C1 ZINC000886854223 592368586 /nfs/dbraw/zinc/36/85/86/592368586.db2.gz FXYIEZQHDKQZFP-ZJUUUORDSA-N 0 3 228.292 0.453 20 0 BCADHN CCN(CC)CC(=O)N1CCOC[C@@H]1COC ZINC000886871217 592378203 /nfs/dbraw/zinc/37/82/03/592378203.db2.gz PBLNBXVZJHRCFM-NSHDSACASA-N 0 3 244.335 0.202 20 0 BCADHN COC[C@H](NCC(OC)OC)[C@H]1CCCOC1 ZINC000886916489 592395650 /nfs/dbraw/zinc/39/56/50/592395650.db2.gz VSYMJQVHVIQLJL-QWRGUYRKSA-N 0 3 247.335 0.637 20 0 BCADHN C[C@@H](NCC1(C2(O)CCC2)CCC1)C(N)=O ZINC000886974377 592402817 /nfs/dbraw/zinc/40/28/17/592402817.db2.gz XYCSKFHJJOPOLT-SECBINFHSA-N 0 3 226.320 0.535 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1CCN1CCO[C@@H](C)C1 ZINC000887032547 592425634 /nfs/dbraw/zinc/42/56/34/592425634.db2.gz CQOZYPOQNCGLIP-YNEHKIRRSA-N 0 3 242.363 0.552 20 0 BCADHN CC(C(=O)N[C@]12C[C@H]1CCC2)S(C)(=O)=O ZINC000887041559 592430097 /nfs/dbraw/zinc/43/00/97/592430097.db2.gz RNPNECVWLLLPTM-QXFUBDJGSA-N 0 3 231.317 0.478 20 0 BCADHN CC[C@H](C)[C@H](NCCc1cnn(C)c1)C(N)=O ZINC000887057770 592434148 /nfs/dbraw/zinc/43/41/48/592434148.db2.gz WVOIDWMUPXYCQY-ONGXEEELSA-N 0 3 238.335 0.452 20 0 BCADHN C[C@@H]1CN(c2ccncc2)CCN1CC(N)=O ZINC000887131478 592448735 /nfs/dbraw/zinc/44/87/35/592448735.db2.gz YJWKEQZIDVRSGS-SNVBAGLBSA-N 0 3 234.303 0.077 20 0 BCADHN C[C@@H]1NC(=O)N(CCN(C)CCCF)C1=O ZINC000887142748 592456793 /nfs/dbraw/zinc/45/67/93/592456793.db2.gz YJJGJTUOFQBISD-QMMMGPOBSA-N 0 3 231.271 0.218 20 0 BCADHN CN(CCCF)C[C@@H](O)CC(C)(C)O ZINC000887144015 592460709 /nfs/dbraw/zinc/46/07/09/592460709.db2.gz XSCACHRROPZHGU-VIFPVBQESA-N 0 3 207.289 0.800 20 0 BCADHN CON(C)C(=O)CNC1(C2CC2)CCC1 ZINC000887147379 592461573 /nfs/dbraw/zinc/46/15/73/592461573.db2.gz KFYGOYXJBMWDMD-UHFFFAOYSA-N 0 3 212.293 0.929 20 0 BCADHN CN(CCO)CCNC(=O)Nc1cccnc1 ZINC000887243669 592471051 /nfs/dbraw/zinc/47/10/51/592471051.db2.gz VNIMMVDFFURMPL-UHFFFAOYSA-N 0 3 238.291 0.127 20 0 BCADHN COCC[C@H](N)C(=O)N1C[C@@H](C)C[C@@H]1C ZINC000222572892 592488050 /nfs/dbraw/zinc/48/80/50/592488050.db2.gz YBDHDHYRZAVJBF-GUBZILKMSA-N 0 3 214.309 0.607 20 0 BCADHN CC(C(=O)NCC(C)(C)C1CC1)S(C)(=O)=O ZINC000887379203 592499007 /nfs/dbraw/zinc/49/90/07/592499007.db2.gz JKXJTSWTDXPBBY-QMMMGPOBSA-N 0 3 247.360 0.972 20 0 BCADHN CC[C@H](N)c1cn(C[C@@](C)(O)C(F)F)nn1 ZINC000887465380 592510633 /nfs/dbraw/zinc/51/06/33/592510633.db2.gz XCGIIZORAJIKLO-IMTBSYHQSA-N 0 3 234.250 0.704 20 0 BCADHN COC[C@H](CNC[C@H](O)c1ccccc1)OC ZINC000300564169 592515556 /nfs/dbraw/zinc/51/55/56/592515556.db2.gz FFSIXKJQVUTFPV-STQMWFEESA-N 0 3 239.315 0.971 20 0 BCADHN COCCN(C)CCNC(=O)C=C(C)C ZINC000300743157 592518474 /nfs/dbraw/zinc/51/84/74/592518474.db2.gz DQZKYAVOQPVMNT-UHFFFAOYSA-N 0 3 214.309 0.647 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1CCOC[C@@H]1C ZINC000300911809 592524205 /nfs/dbraw/zinc/52/42/05/592524205.db2.gz YBBRAPWZWPXBGG-UWVGGRQHSA-N 0 3 235.349 0.436 20 0 BCADHN CN(CCOCCO)c1ccnc(CO)c1 ZINC000301020027 592527097 /nfs/dbraw/zinc/52/70/97/592527097.db2.gz JUKXPFCGKNFRIP-UHFFFAOYSA-N 0 3 226.276 0.019 20 0 BCADHN NC(=O)c1ccccc1NC(=O)[C@H](N)CC1CC1 ZINC000302665009 592551166 /nfs/dbraw/zinc/55/11/66/592551166.db2.gz KASZJBJNQRIFEE-SNVBAGLBSA-N 0 3 247.298 0.851 20 0 BCADHN COC(=O)[C@@H]1CCN1C(=O)[C@H](C(C)C)N(C)C ZINC000888055210 592569824 /nfs/dbraw/zinc/56/98/24/592569824.db2.gz ARXAHJZIAHXTHQ-UWVGGRQHSA-N 0 3 242.319 0.347 20 0 BCADHN COC(=O)[C@H]1CCN1C(=O)CN(C)C1CCC1 ZINC000888073340 592575678 /nfs/dbraw/zinc/57/56/78/592575678.db2.gz YSRXSDBMXJCKRG-SNVBAGLBSA-N 0 3 240.303 0.245 20 0 BCADHN C[C@@H](C(=O)N1CC[C@H]1CO)N1CCCCCC1 ZINC000889140176 592585390 /nfs/dbraw/zinc/58/53/90/592585390.db2.gz KMKCRUPEVAJAHI-RYUDHWBXSA-N 0 3 240.347 0.844 20 0 BCADHN CO[C@H]1CC[C@H]1N(C)C(=O)CN(C)C(C)C ZINC000889352073 592599889 /nfs/dbraw/zinc/59/98/89/592599889.db2.gz IWHMAMVBEMFQRL-MNOVXSKESA-N 0 3 228.336 0.962 20 0 BCADHN O=C(CCF)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889744179 592651693 /nfs/dbraw/zinc/65/16/93/592651693.db2.gz KSMWUCHLBSHNSF-WDEREUQCSA-N 0 3 244.310 0.404 20 0 BCADHN C/C=C\C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889744365 592652971 /nfs/dbraw/zinc/65/29/71/592652971.db2.gz LWDCMNJMHCCMGP-DNDCWNJCSA-N 0 3 238.331 0.620 20 0 BCADHN CC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889779066 592653157 /nfs/dbraw/zinc/65/31/57/592653157.db2.gz CTFJEMHWQQSNAB-GHMZBOCLSA-N 0 3 212.293 0.064 20 0 BCADHN O=C(C1CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889781430 592653719 /nfs/dbraw/zinc/65/37/19/592653719.db2.gz OOZABVVWFPXWAM-NWDGAFQWSA-N 0 3 238.331 0.454 20 0 BCADHN C/C=C/[C@@H](O)C(=O)NCCN1CCC(C)(C)C1 ZINC000890068591 592677321 /nfs/dbraw/zinc/67/73/21/592677321.db2.gz XUIMEUFGFMTRJS-SGUJLRQBSA-N 0 3 240.347 0.772 20 0 BCADHN CN(C)CC(=O)NCCN1CCC(C)(C)C1 ZINC000890078604 592677855 /nfs/dbraw/zinc/67/78/55/592677855.db2.gz JDZXFLHBYWJUTR-UHFFFAOYSA-N 0 3 227.352 0.396 20 0 BCADHN CN(CC(=O)NCc1cn(C)cn1)C1CCC1 ZINC000890104303 592680351 /nfs/dbraw/zinc/68/03/51/592680351.db2.gz JBWXCWCTMSNBEF-UHFFFAOYSA-N 0 3 236.319 0.521 20 0 BCADHN CCCN(C)CC(=O)NCc1cn(C)cn1 ZINC000890113569 592684586 /nfs/dbraw/zinc/68/45/86/592684586.db2.gz ITXPHAAIIZMXJE-UHFFFAOYSA-N 0 3 224.308 0.378 20 0 BCADHN COCC[C@@H](N)C(=O)NC[C@@H](C)SC ZINC000122305776 592711987 /nfs/dbraw/zinc/71/19/87/592711987.db2.gz PURZYBZMHWTJAI-HTQZYQBOSA-N 0 3 220.338 0.218 20 0 BCADHN CC(C)CNC(=O)[C@@H](C)n1cc([C@H](C)N)nn1 ZINC000124231111 592716995 /nfs/dbraw/zinc/71/69/95/592716995.db2.gz LHSSQYMJYRPTOS-DTWKUNHWSA-N 0 3 239.323 0.631 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1C[C@H](CO)[C@H](C)C1 ZINC000362095012 592726188 /nfs/dbraw/zinc/72/61/88/592726188.db2.gz JWHIGIPSQXYIBR-GRYCIOLGSA-N 0 3 242.363 0.804 20 0 BCADHN CCc1cc(NC(=O)[C@@H](N)CCOC)n[nH]1 ZINC000129131390 592731950 /nfs/dbraw/zinc/73/19/50/592731950.db2.gz GUULKSFPLVCOGN-QMMMGPOBSA-N 0 3 226.280 0.274 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](N)CCOC)CCS1 ZINC000133010505 592740030 /nfs/dbraw/zinc/74/00/30/592740030.db2.gz IMJFGPCPMXJLIQ-VHSXEESVSA-N 0 3 246.376 0.704 20 0 BCADHN O[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000095234337 598815248 /nfs/dbraw/zinc/81/52/48/598815248.db2.gz DECFFCOQXAGCSI-LLVKDONJSA-N 0 3 245.286 0.433 20 0 BCADHN O[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000095234337 598815250 /nfs/dbraw/zinc/81/52/50/598815250.db2.gz DECFFCOQXAGCSI-LLVKDONJSA-N 0 3 245.286 0.433 20 0 BCADHN O[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000095234337 598815252 /nfs/dbraw/zinc/81/52/52/598815252.db2.gz DECFFCOQXAGCSI-LLVKDONJSA-N 0 3 245.286 0.433 20 0 BCADHN O[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000095234337 598815253 /nfs/dbraw/zinc/81/52/53/598815253.db2.gz DECFFCOQXAGCSI-LLVKDONJSA-N 0 3 245.286 0.433 20 0 BCADHN CC[C@@H](CO)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC000095285102 606636937 /nfs/dbraw/zinc/63/69/37/606636937.db2.gz ADTBGVRODPRUBM-JTQLQIEISA-N 0 3 247.302 0.727 20 0 BCADHN CC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC000095285102 606636938 /nfs/dbraw/zinc/63/69/38/606636938.db2.gz ADTBGVRODPRUBM-JTQLQIEISA-N 0 3 247.302 0.727 20 0 BCADHN CC[N@H+](CCO)Cc1cccc(-c2nnn[n-]2)c1 ZINC000095176953 606640692 /nfs/dbraw/zinc/64/06/92/606640692.db2.gz DVQPQFJZRFPAFW-UHFFFAOYSA-N 0 3 247.302 0.681 20 0 BCADHN CC[N@@H+](CCO)Cc1cccc(-c2nnn[n-]2)c1 ZINC000095176953 606640693 /nfs/dbraw/zinc/64/06/93/606640693.db2.gz DVQPQFJZRFPAFW-UHFFFAOYSA-N 0 3 247.302 0.681 20 0 BCADHN CC[N@H+](CCO)Cc1cccc(-c2nn[n-]n2)c1 ZINC000095176953 606640694 /nfs/dbraw/zinc/64/06/94/606640694.db2.gz DVQPQFJZRFPAFW-UHFFFAOYSA-N 0 3 247.302 0.681 20 0 BCADHN CC[N@@H+](CCO)Cc1cccc(-c2nn[n-]n2)c1 ZINC000095176953 606640695 /nfs/dbraw/zinc/64/06/95/606640695.db2.gz DVQPQFJZRFPAFW-UHFFFAOYSA-N 0 3 247.302 0.681 20 0 BCADHN COC[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000095245373 606660325 /nfs/dbraw/zinc/66/03/25/606660325.db2.gz JQVBKBKHKHVVFT-VIFPVBQESA-N 0 3 247.302 0.991 20 0 BCADHN COC[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000095245373 606660324 /nfs/dbraw/zinc/66/03/24/606660324.db2.gz JQVBKBKHKHVVFT-VIFPVBQESA-N 0 3 247.302 0.991 20 0 BCADHN C[C@@H](CO)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000095245215 606916358 /nfs/dbraw/zinc/91/63/58/606916358.db2.gz CWHRVEVGKWSLHU-QMMMGPOBSA-N 0 3 233.275 0.337 20 0 BCADHN C[C@@H](CO)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000095245215 606916360 /nfs/dbraw/zinc/91/63/60/606916360.db2.gz CWHRVEVGKWSLHU-QMMMGPOBSA-N 0 3 233.275 0.337 20 0 BCADHN C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095246780 608567296 /nfs/dbraw/zinc/56/72/96/608567296.db2.gz VFLYKDGBJRGXJP-MRVPVSSYSA-N 0 3 233.275 0.337 20 0 BCADHN C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095246780 608567297 /nfs/dbraw/zinc/56/72/97/608567297.db2.gz VFLYKDGBJRGXJP-MRVPVSSYSA-N 0 3 233.275 0.337 20 0 BCADHN C[C@H]1CCN(c2ccnc(CO)c2)[C@H]1CO ZINC000299906720 634398112 /nfs/dbraw/zinc/39/81/12/634398112.db2.gz FYTCXDJCUHUERH-CABZTGNLSA-N 0 3 222.288 0.781 20 0 BCADHN COC(=O)/C(C)=C/CN1CC[C@H](C)[C@H]1CO ZINC000299918482 634400700 /nfs/dbraw/zinc/40/07/00/634400700.db2.gz ZVSUBYCMZJBNKL-CVPURCMJSA-N 0 3 227.304 0.808 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@H]1COCC1(C)C ZINC000312991213 634424456 /nfs/dbraw/zinc/42/44/56/634424456.db2.gz CTMBLQMSICOGGP-UWVGGRQHSA-N 0 3 228.336 0.914 20 0 BCADHN C[C@H](NCc1c[nH]cn1)[C@H]1CN(C)CCO1 ZINC000124857551 634435929 /nfs/dbraw/zinc/43/59/29/634435929.db2.gz XZYFCWRRQSYRKE-GXSJLCMTSA-N 0 3 224.308 0.218 20 0 BCADHN C[C@@H]1COCC[C@@H]1Nc1ccncc1CO ZINC000893501657 634536291 /nfs/dbraw/zinc/53/62/91/634536291.db2.gz OZRDPKIYLGHYNN-KOLCDFICSA-N 0 3 222.288 0.833 20 0 BCADHN O=C(N[C@H]1CCN(CCCF)C1)[C@@H]1CCCO1 ZINC001010053027 635177495 /nfs/dbraw/zinc/17/74/95/635177495.db2.gz DKOBXBXUZSKWJU-QWRGUYRKSA-N 0 3 244.310 0.716 20 0 BCADHN CC(=O)N[C@H]1CCN(CCOC2CCC2)C1 ZINC001009802636 634579183 /nfs/dbraw/zinc/57/91/83/634579183.db2.gz KMBBYPAQNGLZBZ-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN O=C(N[C@@H]1CCN(CCCF)C1)C1CC1 ZINC001009830224 634598229 /nfs/dbraw/zinc/59/82/29/634598229.db2.gz FRHLUIXJESKFNT-SNVBAGLBSA-N 0 3 214.284 0.947 20 0 BCADHN C[C@H](O)CN1CCCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000981757314 635392287 /nfs/dbraw/zinc/39/22/87/635392287.db2.gz BIBSGFYHQPTDQT-GRYCIOLGSA-N 0 3 240.347 0.558 20 0 BCADHN COC(OC)[C@@H](C)NC[C@H]1COC(C)(C)O1 ZINC000230207735 635482494 /nfs/dbraw/zinc/48/24/94/635482494.db2.gz OLDLZFSJYAFRRF-BDAKNGLRSA-N 0 3 233.308 0.735 20 0 BCADHN Cn1nccc1CNC[C@H]1COC(C)(C)O1 ZINC000230206901 635483403 /nfs/dbraw/zinc/48/34/03/635483403.db2.gz YIDCDNSAMHMCLL-JTQLQIEISA-N 0 3 225.292 0.661 20 0 BCADHN CC(C)S(=O)(=O)CCN[C@]1(C)CCO[C@@H]1C ZINC000232807644 635518466 /nfs/dbraw/zinc/51/84/66/635518466.db2.gz HKELVTNNQIBOCM-GHMZBOCLSA-N 0 3 249.376 0.967 20 0 BCADHN COc1ccc(C[C@@H](C)N[C@@H]2CNOC2)cn1 ZINC000925860608 635554681 /nfs/dbraw/zinc/55/46/81/635554681.db2.gz SLDXJXPCEJPHOR-MWLCHTKSSA-N 0 3 237.303 0.514 20 0 BCADHN C[C@H]1C[C@@H](N[C@@H]2CNOC2)CN1C1CC1 ZINC000925865625 635565668 /nfs/dbraw/zinc/56/56/68/635565668.db2.gz YOJPLFSAJAMTLF-IVZWLZJFSA-N 0 3 211.309 0.105 20 0 BCADHN C[C@H]1C[C@H](N[C@@H]2CNOC2)CN1C1CC1 ZINC000925865628 635565827 /nfs/dbraw/zinc/56/58/27/635565827.db2.gz YOJPLFSAJAMTLF-LPEHRKFASA-N 0 3 211.309 0.105 20 0 BCADHN C[C@@H](CC(=O)Nc1ccccc1)N[C@@H]1CNOC1 ZINC000925865736 635565962 /nfs/dbraw/zinc/56/59/62/635565962.db2.gz RVFAOEIPGIIWBI-CMPLNLGQSA-N 0 3 249.314 0.897 20 0 BCADHN COc1cccc(C[C@H](C)N[C@H]2CNOC2)n1 ZINC000925869825 635578734 /nfs/dbraw/zinc/57/87/34/635578734.db2.gz PZIUVPDMTJJZRC-ONGXEEELSA-N 0 3 237.303 0.514 20 0 BCADHN COC[C@H](N[C@H]1CNOC1)C1CCCC1 ZINC000925869865 635581605 /nfs/dbraw/zinc/58/16/05/635581605.db2.gz RJIZQNRBIQMQDY-QWRGUYRKSA-N 0 3 214.309 0.685 20 0 BCADHN CC(C)(N)C(=O)Nc1ccnn1CC1CC1 ZINC000236809093 635607981 /nfs/dbraw/zinc/60/79/81/635607981.db2.gz RNKUYYZCJRGHDH-UHFFFAOYSA-N 0 3 222.292 0.969 20 0 BCADHN C[C@H](O)CNCc1cc(Br)nn1C ZINC000308258909 631230266 /nfs/dbraw/zinc/23/02/66/631230266.db2.gz MLFLZOHCHIGMLZ-LURJTMIESA-N 0 3 248.124 0.653 20 0 BCADHN CCCCOCCNCCS(=O)(=O)CC ZINC000040507257 631230356 /nfs/dbraw/zinc/23/03/56/631230356.db2.gz RUADEUPRHGMVOI-UHFFFAOYSA-N 0 3 237.365 0.827 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@H](C)c1ncon1 ZINC000125492809 631303651 /nfs/dbraw/zinc/30/36/51/631303651.db2.gz DKZOPAHANNFQKD-SFYZADRCSA-N 0 3 226.280 0.620 20 0 BCADHN COC(=O)NCCNc1cc(C)nc(N)n1 ZINC000308376133 631312202 /nfs/dbraw/zinc/31/22/02/631312202.db2.gz SGHYSDHVHLSPNH-UHFFFAOYSA-N 0 3 225.252 0.135 20 0 BCADHN CN(CCO)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891446267 631319669 /nfs/dbraw/zinc/31/96/69/631319669.db2.gz VNWRBQIZSKAQMI-NXEZZACHSA-N 0 3 233.283 0.544 20 0 BCADHN C[C@]1(NC[C@@H](O)CO)CCOc2ccccc21 ZINC000933370472 631335154 /nfs/dbraw/zinc/33/51/54/631335154.db2.gz ONRCEHLTPXXGAZ-MFKMUULPSA-N 0 3 237.299 0.627 20 0 BCADHN CS(=O)(=O)CCNC1([C@@H]2CCCCO2)CC1 ZINC000933377048 631342561 /nfs/dbraw/zinc/34/25/61/631342561.db2.gz CTOIJWCFQDMVRL-JTQLQIEISA-N 0 3 247.360 0.722 20 0 BCADHN COC(=O)/C(C)=C\CN(C)CCCO ZINC000308466029 631355343 /nfs/dbraw/zinc/35/53/43/631355343.db2.gz XDSTZSVFFLUJGA-UITAMQMPSA-N 0 3 201.266 0.420 20 0 BCADHN O=C(CN[C@]12C[C@H]1COC21CCC1)NC1CC1 ZINC000933394164 631358319 /nfs/dbraw/zinc/35/83/19/631358319.db2.gz PPBKNRWPLUPFMD-TVQRCGJNSA-N 0 3 236.315 0.566 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1CCSCC1 ZINC000308504596 631412247 /nfs/dbraw/zinc/41/22/47/631412247.db2.gz YEMANMZUXZVRQI-SECBINFHSA-N 0 3 214.334 0.689 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N[C@H]1CCSC1 ZINC000308506850 631414694 /nfs/dbraw/zinc/41/46/94/631414694.db2.gz ZISXETZCOLDUGY-IUCAKERBSA-N 0 3 214.334 0.736 20 0 BCADHN CC(C)OC[C@@H](C)NCCS(C)(=O)=O ZINC000308652024 631467162 /nfs/dbraw/zinc/46/71/62/631467162.db2.gz LGDAUIYUEUVTJR-SECBINFHSA-N 0 3 223.338 0.434 20 0 BCADHN CC(C)(C)NCc1cn(Cc2ncon2)nn1 ZINC000090298267 631526481 /nfs/dbraw/zinc/52/64/81/631526481.db2.gz DQZFQCNKFYCUMV-UHFFFAOYSA-N 0 3 236.279 0.598 20 0 BCADHN CCN(CCC(=O)NC)[C@@H]1CCCN(C)C1=O ZINC000933863806 631537215 /nfs/dbraw/zinc/53/72/15/631537215.db2.gz ISQRTTSORNMZSL-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CCCNC(=O)[C@H](C)N(CC)CCC(=O)NC ZINC000933869061 631538996 /nfs/dbraw/zinc/53/89/96/631538996.db2.gz LFXXJLICOXQKMT-JTQLQIEISA-N 0 3 243.351 0.359 20 0 BCADHN COC(=O)CCN[C@@H](C)c1ccnn1C ZINC000234505333 631553577 /nfs/dbraw/zinc/55/35/77/631553577.db2.gz VMWFHNVSIZIZQF-QMMMGPOBSA-N 0 3 211.265 0.634 20 0 BCADHN C[C@@H](CO)CN1CCO[C@@H]2COCC[C@@H]21 ZINC000933965846 631574939 /nfs/dbraw/zinc/57/49/39/631574939.db2.gz DEMYVRNEZQTRIF-OUAUKWLOSA-N 0 3 215.293 0.105 20 0 BCADHN COCC[C@H](N)C(=O)N(C)CCOCC1CC1 ZINC000094988418 631584778 /nfs/dbraw/zinc/58/47/78/631584778.db2.gz VVNKXXCVPZSLRE-NSHDSACASA-N 0 3 244.335 0.235 20 0 BCADHN OC[C@@H]1CCN1C[C@H]1CCC2(CCOCC2)O1 ZINC000934016277 631612035 /nfs/dbraw/zinc/61/20/35/631612035.db2.gz SIWXVIQKIIWBQZ-NWDGAFQWSA-N 0 3 241.331 0.781 20 0 BCADHN O=C(CCN1CC[C@@H]1CO)N1CCCCC1 ZINC000934017913 631612697 /nfs/dbraw/zinc/61/26/97/631612697.db2.gz TZJBBAQQBKWPNH-LLVKDONJSA-N 0 3 226.320 0.456 20 0 BCADHN OC[C@H]1CCN1C[C@@H](O)Cc1ccccc1 ZINC000934018800 631617121 /nfs/dbraw/zinc/61/71/21/631617121.db2.gz YPUKXTYXCFVRCF-OLZOCXBDSA-N 0 3 221.300 0.657 20 0 BCADHN Cn1cncc1CCCN1CC[C@@H]1CO ZINC000934019050 631618254 /nfs/dbraw/zinc/61/82/54/631618254.db2.gz LTUDMVYMVQXLTI-LLVKDONJSA-N 0 3 209.293 0.419 20 0 BCADHN CC(C)CN(C)C(=O)[C@@H]1CNCCN1C ZINC000258848865 631654336 /nfs/dbraw/zinc/65/43/36/631654336.db2.gz DHSJCZNEDHNSGD-JTQLQIEISA-N 0 3 213.325 0.004 20 0 BCADHN COCC[C@H](N)C(=O)NC1Cc2ccccc2C1 ZINC000234663424 631658673 /nfs/dbraw/zinc/65/86/73/631658673.db2.gz YOZFBBRSESHIFM-ZDUSSCGKSA-N 0 3 248.326 0.634 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCc1cscn1 ZINC000308816347 631666288 /nfs/dbraw/zinc/66/62/88/631666288.db2.gz INRGPBQLCXHKKD-VIFPVBQESA-N 0 3 225.317 0.887 20 0 BCADHN CO[C@H]1CC[C@H]1N(C)CCNC(=O)NC(C)C ZINC000934107365 631678383 /nfs/dbraw/zinc/67/83/83/631678383.db2.gz MCJXNOLNBYLLTH-MNOVXSKESA-N 0 3 243.351 0.803 20 0 BCADHN Cc1cc(N(C)CCCCO)nc(N)n1 ZINC000308843058 631689603 /nfs/dbraw/zinc/68/96/03/631689603.db2.gz OCOWMOQDYLTWOQ-UHFFFAOYSA-N 0 3 210.281 0.576 20 0 BCADHN Cc1c[nH]nc1CN[C@H](CCO)C1CC1 ZINC000308967225 631774460 /nfs/dbraw/zinc/77/44/60/631774460.db2.gz WPQOFJZFURJRCF-SNVBAGLBSA-N 0 3 209.293 0.969 20 0 BCADHN CC(C)[C@@](C)(CO)NCc1cn(C)cn1 ZINC000309009100 631802842 /nfs/dbraw/zinc/80/28/42/631802842.db2.gz RBPVLHZQHRKIOY-LLVKDONJSA-N 0 3 211.309 0.917 20 0 BCADHN 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ZINC000308860608 631972322 /nfs/dbraw/zinc/97/23/22/631972322.db2.gz PFLHNKSIYUPAHR-VIFPVBQESA-N 0 3 212.293 0.003 20 0 BCADHN CN(C(=O)[C@@H](N)CC1CC1)[C@H]1CCOC1 ZINC000308866644 632001405 /nfs/dbraw/zinc/00/14/05/632001405.db2.gz QZBUXUQIFZLDDK-UWVGGRQHSA-N 0 3 212.293 0.361 20 0 BCADHN CCOC(=O)/C=C\CN1CC[C@@H](O)C1(C)C ZINC000309335646 632004517 /nfs/dbraw/zinc/00/45/17/632004517.db2.gz JYQMDHNYWPAPFH-WWQCOOJYSA-N 0 3 227.304 0.951 20 0 BCADHN C[C@H](N)C(=O)Nc1nc(C(F)(F)F)c[nH]1 ZINC000309360397 632021200 /nfs/dbraw/zinc/02/12/00/632021200.db2.gz AJUJHUFUSPOOAF-VKHMYHEASA-N 0 3 222.170 0.714 20 0 BCADHN CC[C@](C)(CC(=O)OC)NCC(=O)N(C)OC ZINC000091514864 632043878 /nfs/dbraw/zinc/04/38/78/632043878.db2.gz LUFLASJYGSAYPZ-LLVKDONJSA-N 0 3 246.307 0.328 20 0 BCADHN O=C1N[C@@H](CF)C(=O)N1[C@@H]1CCN(C2CC2)C1 ZINC000924886332 635718444 /nfs/dbraw/zinc/71/84/44/635718444.db2.gz LXJYMHOEPODTKT-BDAKNGLRSA-N 0 3 241.266 0.113 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)C(=O)OC1CCCC1 ZINC000161964822 632466242 /nfs/dbraw/zinc/46/62/42/632466242.db2.gz NBTNQPSJOPQDTR-SFYZADRCSA-N 0 3 228.292 0.324 20 0 BCADHN COCC[C@@H](N)C(=O)NCc1ccccc1 ZINC000052790742 632488865 /nfs/dbraw/zinc/48/88/65/632488865.db2.gz KJQZBZXODCPCBW-LLVKDONJSA-N 0 3 222.288 0.667 20 0 BCADHN COCC[C@@H](N)C(=O)NCCOCCC(C)C ZINC000052810316 632497053 /nfs/dbraw/zinc/49/70/53/632497053.db2.gz OYRCVFMOLHQIEB-LLVKDONJSA-N 0 3 246.351 0.529 20 0 BCADHN COCC[C@@H](N)C(=O)N(C)C[C@@H]1CCCCO1 ZINC000052810064 632498126 /nfs/dbraw/zinc/49/81/26/632498126.db2.gz HTZXWDCWSFXUNC-WDEREUQCSA-N 0 3 244.335 0.378 20 0 BCADHN CO[C@H](C)CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000309566019 632534092 /nfs/dbraw/zinc/53/40/92/632534092.db2.gz KVQXDJYUWLVWOH-IVZWLZJFSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H](CNC(=O)c1cnsn1)N1CCCC1 ZINC000053025227 632545829 /nfs/dbraw/zinc/54/58/29/632545829.db2.gz VAFHSKZRNRAKNN-MRVPVSSYSA-N 0 3 240.332 0.752 20 0 BCADHN Cn1cnc(CNCC2(CCO)CC2)c1 ZINC000308942721 632553713 /nfs/dbraw/zinc/55/37/13/632553713.db2.gz 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0.604 20 0 BCADHN COCCN1C[C@@H](NC(=O)C2CC2)C(C)(C)C1 ZINC000972724445 632648870 /nfs/dbraw/zinc/64/88/70/632648870.db2.gz CPSGWQTXNVSCPG-LLVKDONJSA-N 0 3 240.347 0.869 20 0 BCADHN Cc1nccc(CN[C@H](CO)C2CC2)n1 ZINC000309182512 632693650 /nfs/dbraw/zinc/69/36/50/632693650.db2.gz OAUCWOLBZUSKOO-LLVKDONJSA-N 0 3 207.277 0.646 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCCCn1cccn1 ZINC000310101416 632699833 /nfs/dbraw/zinc/69/98/33/632699833.db2.gz LDRPUYYREMBLCD-NSHDSACASA-N 0 3 236.319 0.517 20 0 BCADHN Cc1cc(N2CC[C@H](O)C(C)(C)C2)nc(N)n1 ZINC000310159949 632704381 /nfs/dbraw/zinc/70/43/81/632704381.db2.gz LAIYJOMQHKXYII-VIFPVBQESA-N 0 3 236.319 0.964 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CN2CCCC2)CCC1=O ZINC000310329157 632722608 /nfs/dbraw/zinc/72/26/08/632722608.db2.gz BHCWYBUKGLCOSU-NEPJUHHUSA-N 0 3 240.347 0.354 20 0 BCADHN O=C(NC[C@H]1CCCCN1CCCO)C1CC1 ZINC001024300852 632728046 /nfs/dbraw/zinc/72/80/46/632728046.db2.gz NNSHQTIXNVNKSD-GFCCVEGCSA-N 0 3 240.347 0.750 20 0 BCADHN 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C=C/C(C)=C/CC(=O)NC[C@@H]1C[C@@H](O)CN1C ZINC000924980522 635822021 /nfs/dbraw/zinc/82/20/21/635822021.db2.gz GTESQYVYSKYPMR-RGEGJOEESA-N 0 3 238.331 0.690 20 0 BCADHN O=C(Nc1cn[nH]n1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000935595248 632846859 /nfs/dbraw/zinc/84/68/59/632846859.db2.gz CEUYWLGRPPHJRS-PHDIDXHHSA-N 0 3 218.220 0.270 20 0 BCADHN CN(CCO)CCNC(=O)C1(C2CC2)CCC1 ZINC000925002810 635840135 /nfs/dbraw/zinc/84/01/35/635840135.db2.gz WWSWBFCYORBKGR-UHFFFAOYSA-N 0 3 240.347 0.607 20 0 BCADHN CC1CC(CN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000925005403 635843042 /nfs/dbraw/zinc/84/30/42/635843042.db2.gz KENQQDQXBKXPLQ-UDNWOFFPSA-N 0 3 239.319 0.515 20 0 BCADHN CC[C@H](C)CN(C)C(=O)[C@@H](N)CCOC ZINC000052791342 632894940 /nfs/dbraw/zinc/89/49/40/632894940.db2.gz UFNQGDOSOOCGHX-UWVGGRQHSA-N 0 3 216.325 0.855 20 0 BCADHN COCC[C@H](N)C(=O)Nc1ccccc1 ZINC000052790616 632895117 /nfs/dbraw/zinc/89/51/17/632895117.db2.gz VIGPAKZHTCJSJW-JTQLQIEISA-N 0 3 208.261 0.989 20 0 BCADHN CCCN(CC)C(=O)[C@H](N)CCOC ZINC000052791317 632895300 /nfs/dbraw/zinc/89/53/00/632895300.db2.gz CXJYXPYYFCJKRZ-SECBINFHSA-N 0 3 202.298 0.609 20 0 BCADHN COCC[C@@H](N)C(=O)NCC1CCCC1 ZINC000052791358 632895399 /nfs/dbraw/zinc/89/53/99/632895399.db2.gz ZQKZEYOFZAJKHT-SNVBAGLBSA-N 0 3 214.309 0.657 20 0 BCADHN COCC[C@@H](N)C(=O)N(C)[C@@H]1CCSC1 ZINC000052791343 632896178 /nfs/dbraw/zinc/89/61/78/632896178.db2.gz PSVKQKFYJRNZPG-RKDXNWHRSA-N 0 3 232.349 0.314 20 0 BCADHN C[C@@H]1[C@@H](C)CCN1CC(=O)N1CCO[C@H](C)C1 ZINC000177882611 632897209 /nfs/dbraw/zinc/89/72/09/632897209.db2.gz XXUSKSIXXDLWDE-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN COCC[C@H](N)C(=O)N1CCCCC1 ZINC000052791052 632897259 /nfs/dbraw/zinc/89/72/59/632897259.db2.gz SEYPZSKKQSKKCX-VIFPVBQESA-N 0 3 200.282 0.363 20 0 BCADHN CCCCN(C)C(=O)[C@@H](N)CCOC ZINC000052790914 632897284 /nfs/dbraw/zinc/89/72/84/632897284.db2.gz AAPLGPHOFABDPA-VIFPVBQESA-N 0 3 202.298 0.609 20 0 BCADHN COCC[C@H](N)C(=O)Nc1cccnc1 ZINC000052790679 632898228 /nfs/dbraw/zinc/89/82/28/632898228.db2.gz WOUPMFNKWGNSNW-VIFPVBQESA-N 0 3 209.249 0.384 20 0 BCADHN COCC[C@H](N)C(=O)N(C)CCC(C)C ZINC000052808865 632898903 /nfs/dbraw/zinc/89/89/03/632898903.db2.gz WKZLYXWZOAFEBE-JTQLQIEISA-N 0 3 216.325 0.855 20 0 BCADHN COCC[C@H](N)C(=O)N1CC[C@H](C)C1 ZINC000052809622 632898968 /nfs/dbraw/zinc/89/89/68/632898968.db2.gz CBBDMJJFTZZDRB-IUCAKERBSA-N 0 3 200.282 0.219 20 0 BCADHN CC(C)NC(=O)[C@H](C)NCc1cnc[nH]1 ZINC000161729647 632902195 /nfs/dbraw/zinc/90/21/95/632902195.db2.gz HULHOIZSYJAHIC-QMMMGPOBSA-N 0 3 210.281 0.412 20 0 BCADHN Cc1cc(NC[C@@H](C)S(C)(=O)=O)nc(N)n1 ZINC000309300256 632908616 /nfs/dbraw/zinc/90/86/16/632908616.db2.gz SXUROQCBZRKSAG-SSDOTTSWSA-N 0 3 244.320 0.212 20 0 BCADHN C/C=C/CN[C@H]1C(=O)NCC12CCOCC2 ZINC000926764222 633006288 /nfs/dbraw/zinc/00/62/88/633006288.db2.gz BYMFVTJADRNPIN-PBKGFPTLSA-N 0 3 224.304 0.447 20 0 BCADHN O=c1cc(N2CC[C@H]([NH+]3CCCC3)C2)nc[n-]1 ZINC000162844694 633040484 /nfs/dbraw/zinc/04/04/84/633040484.db2.gz YYNIGHRIDLCLML-JTQLQIEISA-N 0 3 234.303 0.444 20 0 BCADHN CCc1cc(CNC(=O)C2(N)CC2)[nH]n1 ZINC000309423336 633051911 /nfs/dbraw/zinc/05/19/11/633051911.db2.gz KCJDMNNIRUWEEK-UHFFFAOYSA-N 0 3 208.265 0.080 20 0 BCADHN COC(=O)/C(C)=C/CN1CC[C@@H](O)C1(C)C ZINC000309424388 633054469 /nfs/dbraw/zinc/05/44/69/633054469.db2.gz YIHYCZPDHOCXJO-NAZIUFLLSA-N 0 3 227.304 0.951 20 0 BCADHN CC(C)CCN1C(=O)C[C@@H](N[C@H](C)CO)C1=O ZINC000653285667 633070442 /nfs/dbraw/zinc/07/04/42/633070442.db2.gz VLLIROWEUPNUEH-NXEZZACHSA-N 0 3 242.319 0.130 20 0 BCADHN c1nc(CNCCOC[C@@H]2CCCO2)c[nH]1 ZINC000164074229 633071172 /nfs/dbraw/zinc/07/11/72/633071172.db2.gz DGWFFLRMUKQKFI-NSHDSACASA-N 0 3 225.292 0.695 20 0 BCADHN c1ncc(CNCCOC[C@@H]2CCCO2)[nH]1 ZINC000164074229 633071177 /nfs/dbraw/zinc/07/11/77/633071177.db2.gz DGWFFLRMUKQKFI-NSHDSACASA-N 0 3 225.292 0.695 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N[C@H]2CCN(C)[C@H]2C)C1 ZINC000928425362 635898624 /nfs/dbraw/zinc/89/86/24/635898624.db2.gz CDXXZNWJTGZQMX-NAKRPEOUSA-N 0 3 226.320 0.620 20 0 BCADHN CCC/C=C\[C@H](O)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928426853 635901795 /nfs/dbraw/zinc/90/17/95/635901795.db2.gz PEADHSUFQUYANH-JATYTKEGSA-N 0 3 240.347 0.912 20 0 BCADHN C[C@H](O)CN1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001006545488 633081663 /nfs/dbraw/zinc/08/16/63/633081663.db2.gz QBJRNJGHLVIQOL-CMPLNLGQSA-N 0 3 240.347 0.748 20 0 BCADHN COC[C@@H](O)CNCc1cccc(OC)c1F ZINC000165857457 633101090 /nfs/dbraw/zinc/10/10/90/633101090.db2.gz YBWBHVBWFUSCMV-JTQLQIEISA-N 0 3 243.278 0.931 20 0 BCADHN Cc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc(N)n1 ZINC000166180562 633108963 /nfs/dbraw/zinc/10/89/63/633108963.db2.gz RSMBSQGVONAMJE-RKDXNWHRSA-N 0 3 222.292 0.574 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NNC(=O)c1ccccc1 ZINC000166360223 633112407 /nfs/dbraw/zinc/11/24/07/633112407.db2.gz NLIVQOCCYKAHNH-ONGXEEELSA-N 0 3 249.314 0.821 20 0 BCADHN CC[S@](=O)CCNCc1ccc(OC)nc1 ZINC000166815481 633122180 /nfs/dbraw/zinc/12/21/80/633122180.db2.gz RJTVGQVLRSCVQK-MRXNPFEDSA-N 0 3 242.344 0.948 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@H]2CCC(=O)O2)C1 ZINC000851731142 633173977 /nfs/dbraw/zinc/17/39/77/633173977.db2.gz XOSTVJNYZMJTPK-RKDXNWHRSA-N 0 3 227.260 0.187 20 0 BCADHN C=C/C=C/CCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000925076089 635911462 /nfs/dbraw/zinc/91/14/62/635911462.db2.gz TYWOQSBXBNJJOL-BRAIEQGRSA-N 0 3 237.303 0.601 20 0 BCADHN OC[C@@H](O)CNC1(c2ccc(F)cc2)CC1 ZINC000309516643 633183571 /nfs/dbraw/zinc/18/35/71/633183571.db2.gz ADOAFSPWBSGUCM-NSHDSACASA-N 0 3 225.263 0.758 20 0 BCADHN Cc1ncc(C(=O)N[C@H]2CCN(C)[C@@H]2C)c(N)n1 ZINC000928430909 635914806 /nfs/dbraw/zinc/91/48/06/635914806.db2.gz JZTWXWRDDCAQEF-XCBNKYQSSA-N 0 3 249.318 0.190 20 0 BCADHN Cc1c[nH]nc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928432452 635916472 /nfs/dbraw/zinc/91/64/72/635916472.db2.gz JVVFZCKWFQOXAK-IUCAKERBSA-N 0 3 222.292 0.541 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC000309542192 633194034 /nfs/dbraw/zinc/19/40/34/633194034.db2.gz DZMITXKPHUATBU-SNVBAGLBSA-N 0 3 222.292 0.131 20 0 BCADHN Cc1[nH]c(=O)ccc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928431668 635917798 /nfs/dbraw/zinc/91/77/98/635917798.db2.gz ALGPZDZXJNSPDT-GXSJLCMTSA-N 0 3 249.314 0.918 20 0 BCADHN C[C@@H](CCO)CNc1ccncc1CO ZINC000892731854 633206925 /nfs/dbraw/zinc/20/69/25/633206925.db2.gz NTFZBIDOBGUIDM-VIFPVBQESA-N 0 3 210.277 0.426 20 0 BCADHN CC[C@H](CO)NCC(=O)Nc1cc(C)no1 ZINC000309587043 633207327 /nfs/dbraw/zinc/20/73/27/633207327.db2.gz SGAFPVBYIZVAIP-MRVPVSSYSA-N 0 3 227.264 0.282 20 0 BCADHN Cc1cnc(CNc2ccncc2CO)o1 ZINC000892750606 633218032 /nfs/dbraw/zinc/21/80/32/633218032.db2.gz VQAPPCYGCBNYON-UHFFFAOYSA-N 0 3 219.244 0.904 20 0 BCADHN NC(=O)C[C@H]1CCCN(c2ccncc2CO)C1 ZINC000892773679 633225466 /nfs/dbraw/zinc/22/54/66/633225466.db2.gz AJUXEUDTUWZSEH-SNVBAGLBSA-N 0 3 249.314 0.666 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@H]2CCC=CO2)CCN1C ZINC000928433995 635928338 /nfs/dbraw/zinc/92/83/38/635928338.db2.gz CDOLQPUZNWQWGE-MXWKQRLJSA-N 0 3 224.304 0.888 20 0 BCADHN C[C@H](NCCCc1cnn(C)n1)c1ncc[nH]1 ZINC000293765071 633231400 /nfs/dbraw/zinc/23/14/00/633231400.db2.gz RPSXETQLBOXYKE-VIFPVBQESA-N 0 3 234.307 0.822 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@@H](O)c2ccccc2)CCN1C ZINC000928439194 635933704 /nfs/dbraw/zinc/93/37/04/635933704.db2.gz HXZQMVWOMXUMFI-WXHSDQCUSA-N 0 3 248.326 0.929 20 0 BCADHN COCCCOCC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928441722 635942766 /nfs/dbraw/zinc/94/27/66/635942766.db2.gz TUJLDGZVCSPTGH-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN COC1(C(=O)N[C@@H]2CCN(C)[C@@H]2C)CCC1 ZINC000928443146 635947556 /nfs/dbraw/zinc/94/75/56/635947556.db2.gz XXVSOTHPGHTKCI-NXEZZACHSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2ccnn2C)CCN1C ZINC000928445571 635949278 /nfs/dbraw/zinc/94/92/78/635949278.db2.gz RWMFITCVDIEZMN-BDAKNGLRSA-N 0 3 222.292 0.243 20 0 BCADHN C[Si](C)(C)CN1CCOC[C@H]1CO ZINC000306819000 635976908 /nfs/dbraw/zinc/97/69/08/635976908.db2.gz FMXKIMFJTPPUCR-SECBINFHSA-N 0 3 203.358 0.557 20 0 BCADHN C(CN1CCC2(C1)OCCO2)[C@@H]1CCOC1 ZINC000307072657 635981322 /nfs/dbraw/zinc/98/13/22/635981322.db2.gz IROYXYARDJXOSG-LLVKDONJSA-N 0 3 227.304 0.862 20 0 BCADHN C=Cn1cc(CNC[C@H]2COCO2)cn1 ZINC000894879726 635993464 /nfs/dbraw/zinc/99/34/64/635993464.db2.gz XMBIPVZFHGWZFF-JTQLQIEISA-N 0 3 209.249 0.446 20 0 BCADHN C[C@H]1[C@@H](NC(=O)C2=COCC2)CCN1C ZINC000928453395 635995810 /nfs/dbraw/zinc/99/58/10/635995810.db2.gz ZRRNVPGKHQTPHH-WPRPVWTQSA-N 0 3 210.277 0.499 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)C2=COCC2)CCN1C ZINC000928453393 635995911 /nfs/dbraw/zinc/99/59/11/635995911.db2.gz ZRRNVPGKHQTPHH-SCZZXKLOSA-N 0 3 210.277 0.499 20 0 BCADHN Cc1cnc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cn1 ZINC000928457532 635997344 /nfs/dbraw/zinc/99/73/44/635997344.db2.gz QDWJBALOKLPJPH-ZJUUUORDSA-N 0 3 234.303 0.607 20 0 BCADHN CSCC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928457234 635997374 /nfs/dbraw/zinc/99/73/74/635997374.db2.gz URCQATFBKDPZTO-SFYZADRCSA-N 0 3 202.323 0.558 20 0 BCADHN CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H](C)O ZINC001029176858 636000946 /nfs/dbraw/zinc/00/09/46/636000946.db2.gz RLSVVPCUJQXTJZ-GARJFASQSA-N 0 3 226.320 0.452 20 0 BCADHN CS[C@H](CO)[C@H](C)N[C@H]1C(=O)NCC1(C)C ZINC000925115410 636081148 /nfs/dbraw/zinc/08/11/48/636081148.db2.gz ULPAURRNYVHMMD-YIZRAAEISA-N 0 3 246.376 0.213 20 0 BCADHN COc1ccc(CN[C@H]2C[C@@H](C(N)=O)C2)o1 ZINC000895152602 636093556 /nfs/dbraw/zinc/09/35/56/636093556.db2.gz ORCPCFGTVLYAHA-OCAPTIKFSA-N 0 3 224.260 0.642 20 0 BCADHN CC1CCN(CC(=O)NC[C@H]2CCN2C)CC1 ZINC000928558859 636101553 /nfs/dbraw/zinc/10/15/53/636101553.db2.gz FLPUMMJRLGBNTQ-GFCCVEGCSA-N 0 3 239.363 0.539 20 0 BCADHN CCON(CC)C(=O)CN[C@H]1COCC1(C)C ZINC000895389390 636141338 /nfs/dbraw/zinc/14/13/38/636141338.db2.gz DOBBXTYIMBVGQW-JTQLQIEISA-N 0 3 244.335 0.801 20 0 BCADHN CN(CCO)CCNc1nccn2cncc12 ZINC000895242614 636126460 /nfs/dbraw/zinc/12/64/60/636126460.db2.gz VQTDISWLPIJGQL-UHFFFAOYSA-N 0 3 235.291 0.065 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000892988589 633793188 /nfs/dbraw/zinc/79/31/88/633793188.db2.gz IOZATIAXEMTXOM-GXSJLCMTSA-N 0 3 242.319 0.537 20 0 BCADHN CCC(=O)N[C@H]1C[C@H](NCc2cnc(C)nc2)C1 ZINC001019907148 633795174 /nfs/dbraw/zinc/79/51/74/633795174.db2.gz WNJPCKNMGNHRPY-HAQNSBGRSA-N 0 3 248.330 0.932 20 0 BCADHN C[C@@H]1C[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001026006299 633831303 /nfs/dbraw/zinc/83/13/03/633831303.db2.gz SOKMGFHBMPWTNO-YFVNTRNASA-N 0 3 238.331 0.071 20 0 BCADHN COc1ccc(CN[C@H](C)CC(N)=O)nc1 ZINC000893134932 633845936 /nfs/dbraw/zinc/84/59/36/633845936.db2.gz KHWZWYQTTAYETR-MRVPVSSYSA-N 0 3 223.276 0.444 20 0 BCADHN NC(=O)NC(=O)CN1CCCCCCC1 ZINC000016338690 633919743 /nfs/dbraw/zinc/91/97/43/633919743.db2.gz FUGLJMRONFSPGT-UHFFFAOYSA-N 0 3 213.281 0.447 20 0 BCADHN Cc1cc(N)nc(N[C@@H]2C[C@H](O)C2(C)C)n1 ZINC000893267052 634012256 /nfs/dbraw/zinc/01/22/56/634012256.db2.gz RRQCXHBYWQEVCM-SFYZADRCSA-N 0 3 222.292 0.939 20 0 BCADHN C[C@@H](O)[C@@H](C)NCc1ccnc(N(C)C)n1 ZINC000309980386 634021437 /nfs/dbraw/zinc/02/14/37/634021437.db2.gz VUQHTKBZXKOCQS-RKDXNWHRSA-N 0 3 224.308 0.402 20 0 BCADHN C[C@H](O)[C@@H](O)CN1CC[C@H](O)CC12CCC2 ZINC000930755812 634091472 /nfs/dbraw/zinc/09/14/72/634091472.db2.gz SLNZMLPYTANCJU-DCAQKATOSA-N 0 3 229.320 0.108 20 0 BCADHN CCOC(=O)/C=C\CN(C)C[C@H](C)C(=O)NC ZINC000310055667 634117587 /nfs/dbraw/zinc/11/75/87/634117587.db2.gz FYWYWJPFOMCKQZ-GFVADAIESA-N 0 3 242.319 0.420 20 0 BCADHN COC(=O)[C@H]1C[C@H](O)CN(CCOC2CC2)C1 ZINC000930824910 634119704 /nfs/dbraw/zinc/11/97/04/634119704.db2.gz HIISTWHCDQNGFJ-UWVGGRQHSA-N 0 3 243.303 0.021 20 0 BCADHN Cc1nccc(NC(=O)N[C@H]2CCN(C)[C@H]2C)n1 ZINC000930839112 634129212 /nfs/dbraw/zinc/12/92/12/634129212.db2.gz UZYRRLYNDZEDIY-WPRPVWTQSA-N 0 3 249.318 0.999 20 0 BCADHN O=C1O[C@@H](CN2CCC(O)CC2)CC12CCC2 ZINC000191919683 634223858 /nfs/dbraw/zinc/22/38/58/634223858.db2.gz PDRCZWOCUWJFMY-LLVKDONJSA-N 0 3 239.315 0.929 20 0 BCADHN Cn1[nH]c(=O)c2c1CN(CCc1cn[nH]c1)CC2 ZINC000931193960 634266282 /nfs/dbraw/zinc/26/62/82/634266282.db2.gz ULBVBXBKHJVLMJ-UHFFFAOYSA-N 0 3 247.302 0.450 20 0 BCADHN CC(=O)NC[C@@H]1CCCN1CCn1cccn1 ZINC001027711663 635124665 /nfs/dbraw/zinc/12/46/65/635124665.db2.gz RKFBMGZJEKADFT-LBPRGKRZSA-N 0 3 236.319 0.484 20 0 BCADHN O=C(NC[C@@H]1CCCN1CCO)C1CCC1 ZINC001027717395 635125630 /nfs/dbraw/zinc/12/56/30/635125630.db2.gz UCIRPBAZRNVKQB-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN OCCCCCNc1ccncc1CO ZINC000893572428 635174951 /nfs/dbraw/zinc/17/49/51/635174951.db2.gz PSLKMRMHNJPNOH-UHFFFAOYSA-N 0 3 210.277 0.570 20 0 BCADHN CC(C)N1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010290596 635333337 /nfs/dbraw/zinc/33/33/37/635333337.db2.gz VASVEDUSGZJEJA-GHMZBOCLSA-N 0 3 242.319 0.001 20 0 BCADHN CC(=O)N1CCCN(c2cc(C)nc(N)n2)CC1 ZINC000054104325 635357793 /nfs/dbraw/zinc/35/77/93/635357793.db2.gz OZJHFWRTJKYVAS-UHFFFAOYSA-N 0 3 249.318 0.426 20 0 BCADHN C[C@@]1(C(N)=O)CCN(c2ccncc2CO)C1 ZINC000893638315 635386230 /nfs/dbraw/zinc/38/62/30/635386230.db2.gz GDBORMLWGJOSRD-GFCCVEGCSA-N 0 3 235.287 0.276 20 0 BCADHN O=C(NC[C@@H]1CCCN1CCO)[C@H]1CC12CC2 ZINC001028163860 635441740 /nfs/dbraw/zinc/44/17/40/635441740.db2.gz DAAOFCCGWMGXQW-WDEREUQCSA-N 0 3 238.331 0.359 20 0 BCADHN CO[C@@H]1CC(=O)N(CN2CC[C@H](C)[C@@H]2C)C1 ZINC000249285447 635688449 /nfs/dbraw/zinc/68/84/49/635688449.db2.gz LMQVCEGWNJGIBQ-GARJFASQSA-N 0 3 226.320 0.922 20 0 BCADHN OCc1cnccc1N[C@@H](CO)CCF ZINC000894405363 635891213 /nfs/dbraw/zinc/89/12/13/635891213.db2.gz ZWAXIKYWXSBNBK-SECBINFHSA-N 0 3 214.240 0.128 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)C2(C)COC2)CCN1C ZINC000928436644 635931688 /nfs/dbraw/zinc/93/16/88/635931688.db2.gz JVANSAWVGCDQHZ-BDAKNGLRSA-N 0 3 212.293 0.232 20 0 BCADHN C[C@H]1[C@@H](NC(=O)C2(C)COC2)CCN1C ZINC000928436661 635931186 /nfs/dbraw/zinc/93/11/86/635931186.db2.gz JVANSAWVGCDQHZ-IUCAKERBSA-N 0 3 212.293 0.232 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2cnn3c2CCC3)CCN1C ZINC000928435897 635931777 /nfs/dbraw/zinc/93/17/77/635931777.db2.gz SJWPXLRVLAIJDW-ONGXEEELSA-N 0 3 248.330 0.652 20 0 BCADHN C[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1C)n1cccn1 ZINC000928442318 635945053 /nfs/dbraw/zinc/94/50/53/635945053.db2.gz BBJBRCYJBSEKKL-MXWKQRLJSA-N 0 3 236.319 0.653 20 0 BCADHN NC(=O)c1cccc(NC(=O)[C@@H](N)CC2CC2)c1 ZINC000310706366 636008338 /nfs/dbraw/zinc/00/83/38/636008338.db2.gz DCBFUDOYONGBLN-NSHDSACASA-N 0 3 247.298 0.851 20 0 BCADHN CCON(CC)C(=O)CN[C@@H]1COCC1(C)C ZINC000895389391 636140909 /nfs/dbraw/zinc/14/09/09/636140909.db2.gz DOBBXTYIMBVGQW-SNVBAGLBSA-N 0 3 244.335 0.801 20 0 BCADHN CN1CC[C@@H]1CNCc1cn2cccnc2n1 ZINC000896593562 636206215 /nfs/dbraw/zinc/20/62/15/636206215.db2.gz BWMUBBILNIPWIB-LLVKDONJSA-N 0 3 231.303 0.523 20 0 BCADHN Cc1cc(N[C@H]2C[C@H](CO)C2)nc(N)n1 ZINC000896689460 636214709 /nfs/dbraw/zinc/21/47/09/636214709.db2.gz FGKYBWPMWCRWFR-ZKCHVHJHSA-N 0 3 208.265 0.550 20 0 BCADHN C[N@@H+]1CC[C@H](C(=O)[N-]OCc2ccccn2)C1 ZINC000909538249 636232782 /nfs/dbraw/zinc/23/27/82/636232782.db2.gz QDRQJVPNTTYTEF-JTQLQIEISA-N 0 3 235.287 0.581 20 0 BCADHN C[N@H+]1CC[C@H](C(=O)[N-]OCc2ccccn2)C1 ZINC000909538249 636232787 /nfs/dbraw/zinc/23/27/87/636232787.db2.gz QDRQJVPNTTYTEF-JTQLQIEISA-N 0 3 235.287 0.581 20 0 BCADHN C[N@@H+]1CC[C@H](CC(=O)[N-]OCc2ccccn2)C1 ZINC000909544327 636238716 /nfs/dbraw/zinc/23/87/16/636238716.db2.gz OTFWTGKCZCTUQT-LLVKDONJSA-N 0 3 249.314 0.971 20 0 BCADHN C[N@H+]1CC[C@H](CC(=O)[N-]OCc2ccccn2)C1 ZINC000909544327 636238722 /nfs/dbraw/zinc/23/87/22/636238722.db2.gz OTFWTGKCZCTUQT-LLVKDONJSA-N 0 3 249.314 0.971 20 0 BCADHN CN(C)CC(C)(C)NC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000909560598 636249459 /nfs/dbraw/zinc/24/94/59/636249459.db2.gz QZLACOUFKKJKRI-INTQDDNPSA-N 0 3 238.331 0.668 20 0 BCADHN CNCC(=O)Nc1cc(OC)ccc1N ZINC000237279850 636293232 /nfs/dbraw/zinc/29/32/32/636293232.db2.gz SUCOJQGDLZVYSE-UHFFFAOYSA-N 0 3 209.249 0.435 20 0 BCADHN CC[C@H](C(=O)N(CC)CCC(N)=O)N(C)C ZINC000928822665 636386420 /nfs/dbraw/zinc/38/64/20/636386420.db2.gz NFYVCBIRVFFYQF-SECBINFHSA-N 0 3 229.324 0.051 20 0 BCADHN CC(=O)N1CC[C@H](NCc2cncn2C)[C@H]1C ZINC000985834312 636426251 /nfs/dbraw/zinc/42/62/51/636426251.db2.gz UNQOMJVAXPPCHR-SKDRFNHKSA-N 0 3 236.319 0.519 20 0 BCADHN C[C@H]1[C@@H](NCCF)CCN1C(=O)C1CC1 ZINC000985850060 636431113 /nfs/dbraw/zinc/43/11/13/636431113.db2.gz SVVMNZDVVVZWKQ-WPRPVWTQSA-N 0 3 214.284 0.945 20 0 BCADHN C[C@@H]1[C@H](NCCF)CCN1C(=O)C(F)F ZINC000985863725 636436430 /nfs/dbraw/zinc/43/64/30/636436430.db2.gz SIRHBQIIGLNYBO-RNFRBKRXSA-N 0 3 224.226 0.800 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1COC[C@@H]1C)N(C)C ZINC000928887704 636449507 /nfs/dbraw/zinc/44/95/07/636449507.db2.gz YEPCLHXQJHDDRY-AEJSXWLSSA-N 0 3 214.309 0.478 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1COC[C@@H]1C)N(C)C ZINC000928887719 636450745 /nfs/dbraw/zinc/45/07/45/636450745.db2.gz YEPCLHXQJHDDRY-IVZWLZJFSA-N 0 3 214.309 0.478 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1COC[C@H]1C ZINC000928891924 636457359 /nfs/dbraw/zinc/45/73/59/636457359.db2.gz GQEPDUPBUHWOHG-ZJUUUORDSA-N 0 3 214.309 0.479 20 0 BCADHN Cc1cc(N[C@@H]2CC(=O)N(C3CC3)C2)nc(N)n1 ZINC000751969910 636483550 /nfs/dbraw/zinc/48/35/50/636483550.db2.gz YSSKPNCTICUCEF-MRVPVSSYSA-N 0 3 247.302 0.542 20 0 BCADHN C[C@@H]1[C@@H](NCc2ccc(C(N)=O)nc2)CO[C@H]1C ZINC000925240989 636487729 /nfs/dbraw/zinc/48/77/29/636487729.db2.gz MVIUMMHZILVYQE-AUTRQRHGSA-N 0 3 249.314 0.694 20 0 BCADHN C/C=C(\C)C(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC000986131965 636527001 /nfs/dbraw/zinc/52/70/01/636527001.db2.gz GMDOMFLGLPFNBU-PIOFTHJTSA-N 0 3 239.319 0.017 20 0 BCADHN OCc1cc(N2CC[C@@H](O)[C@H](F)C2)ccn1 ZINC000897381234 636565268 /nfs/dbraw/zinc/56/52/68/636565268.db2.gz UYEGZZSHOFNNSP-GHMZBOCLSA-N 0 3 226.251 0.483 20 0 BCADHN CC(C)[C@@H](C(=O)NC[C@@H]1COCO1)N(C)C ZINC000861971928 636612958 /nfs/dbraw/zinc/61/29/58/636612958.db2.gz QPEBYIDQDPNMQO-ZJUUUORDSA-N 0 3 230.308 0.062 20 0 BCADHN CC(C)=CC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC000987863943 636669966 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/nfs/dbraw/zinc/66/00/81/637660081.db2.gz RQPYBHZDVXARAY-GMSGAONNSA-N 0 3 236.262 0.213 20 0 BCADHN C[C@H](CNC[C@@](C)(O)C(F)F)S(C)(=O)=O ZINC000905188706 637669165 /nfs/dbraw/zinc/66/91/65/637669165.db2.gz QRNKLHYXWQCGRN-HTRCEHHLSA-N 0 3 245.291 0.025 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC[C@](C)(O)C(F)F ZINC000905228620 637688480 /nfs/dbraw/zinc/68/84/80/637688480.db2.gz FLZAUGVILAOLRB-XCBNKYQSSA-N 0 3 238.278 0.459 20 0 BCADHN CCC[C@@](C)(N)c1nc(C2(N)CC2)no1 ZINC000905314320 637741390 /nfs/dbraw/zinc/74/13/90/637741390.db2.gz GJFMCPSXMARDPB-SECBINFHSA-N 0 3 210.281 0.991 20 0 BCADHN CCC[C@](C)(N)c1nc(C2(N)CC2)no1 ZINC000905314321 637742357 /nfs/dbraw/zinc/74/23/57/637742357.db2.gz GJFMCPSXMARDPB-VIFPVBQESA-N 0 3 210.281 0.991 20 0 BCADHN CC[C@@](O)(CN[C@@H](CO)COC)C(F)(F)F ZINC000905353192 637773797 /nfs/dbraw/zinc/77/37/97/637773797.db2.gz HQVWADLKSPVREM-JGVFFNPUSA-N 0 3 245.241 0.287 20 0 BCADHN Oc1cncc(CNC[C@@H](O)Cn2cccn2)c1 ZINC000905625553 637861964 /nfs/dbraw/zinc/86/19/64/637861964.db2.gz NRNVMXXCMUOUTI-GFCCVEGCSA-N 0 3 248.286 0.134 20 0 BCADHN O[C@H](CNC/C=C\Cl)C1(O)CCOCC1 ZINC000905706093 637890488 /nfs/dbraw/zinc/89/04/88/637890488.db2.gz DRODRPKLCCRJEW-RZXPJHQTSA-N 0 3 235.711 0.231 20 0 BCADHN COC[C@@H](N[C@H]1CCN(OC)C1=O)C1CC1 ZINC000905762926 637918696 /nfs/dbraw/zinc/91/86/96/637918696.db2.gz PFKGLVOUHQTGMG-VHSXEESVSA-N 0 3 228.292 0.163 20 0 BCADHN COC[C@H](N[C@@H]1CCN(OC)C1=O)C1CC1 ZINC000905762927 637919343 /nfs/dbraw/zinc/91/93/43/637919343.db2.gz PFKGLVOUHQTGMG-ZJUUUORDSA-N 0 3 228.292 0.163 20 0 BCADHN CC[C@@H](N)c1cn([C@H]2CCN(OC)C2=O)nn1 ZINC000905838987 637940740 /nfs/dbraw/zinc/94/07/40/637940740.db2.gz GSXXSOVOTRWPNH-APPZFPTMSA-N 0 3 239.279 0.023 20 0 BCADHN CNC(C)(C)c1cn(Cc2ccc(N)nc2)nn1 ZINC000905814646 637942007 /nfs/dbraw/zinc/94/20/07/637942007.db2.gz CJQGJTBGYSILGU-UHFFFAOYSA-N 0 3 246.318 0.758 20 0 BCADHN CC(C)NCc1cn(CCc2cncn2C)nn1 ZINC000905813910 637942744 /nfs/dbraw/zinc/94/27/44/637942744.db2.gz ZJSXGDGDFWWTBW-UHFFFAOYSA-N 0 3 248.334 0.752 20 0 BCADHN CCCN(CCO)CC[S@@](=O)C(F)(F)F ZINC000905877611 637972959 /nfs/dbraw/zinc/97/29/59/637972959.db2.gz SLTFUXVEZNIYCG-OAHLLOKOSA-N 0 3 247.282 0.959 20 0 BCADHN CCCCOC[C@H](O)CN1CC(COC)C1 ZINC000905969586 637986743 /nfs/dbraw/zinc/98/67/43/637986743.db2.gz CTYWHFPTBCRODV-GFCCVEGCSA-N 0 3 231.336 0.742 20 0 BCADHN COCC1CN(C[C@](C)(O)C(F)F)C1 ZINC000905971154 637987023 /nfs/dbraw/zinc/98/70/23/637987023.db2.gz LYSQVTUMDHYNNG-VIFPVBQESA-N 0 3 209.236 0.581 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)CCNC(C)=O)N(C)C ZINC001075232360 711446086 /nfs/dbraw/zinc/44/60/86/711446086.db2.gz BIBOXMODFGHMHS-GXSJLCMTSA-N 0 3 243.351 0.358 20 0 BCADHN C[C@@H](CNc1ccccc1)NC(=O)CN ZINC000906086248 638046268 /nfs/dbraw/zinc/04/62/68/638046268.db2.gz FLERKJCSGGRXSP-VIFPVBQESA-N 0 3 207.277 0.562 20 0 BCADHN CCn1nncc1CN[C@@H]1CCN(C)C1 ZINC000906537940 638206226 /nfs/dbraw/zinc/20/62/26/638206226.db2.gz QSBZEZRWRBDTDO-SECBINFHSA-N 0 3 209.297 0.092 20 0 BCADHN COC(=O)CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000906647487 638228034 /nfs/dbraw/zinc/22/80/34/638228034.db2.gz DZSKKIAMEPFXCR-JTQLQIEISA-N 0 3 240.303 0.102 20 0 BCADHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NC[C@H]1CCCN1C ZINC000906677080 638232373 /nfs/dbraw/zinc/23/23/73/638232373.db2.gz TYBLIZYVQVESJU-WISYIIOYSA-N 0 3 240.347 0.868 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC000906881852 638259929 /nfs/dbraw/zinc/25/99/29/638259929.db2.gz FFSHDRZFTXSWDT-JTQLQIEISA-N 0 3 241.335 0.017 20 0 BCADHN CC[C@@H](C)[C@@H](O)CNC(=O)[C@@H](CC)N(C)C ZINC000907013113 638288680 /nfs/dbraw/zinc/28/86/80/638288680.db2.gz VVPMGLXPCKWLIQ-MXWKQRLJSA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)C[C@@H](C)O)N(C)C ZINC000907311418 638338732 /nfs/dbraw/zinc/33/87/32/638338732.db2.gz APKHZMVOOIOPAI-BBBLOLIVSA-N 0 3 216.325 0.602 20 0 BCADHN Cn1cnnc1NC(=O)[C@H]1CC[C@@H]2CCCCN12 ZINC000907402210 638372967 /nfs/dbraw/zinc/37/29/67/638372967.db2.gz ZFGICHPMELMLJP-VHSXEESVSA-N 0 3 249.318 0.771 20 0 BCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCF ZINC000907451270 638385956 /nfs/dbraw/zinc/38/59/56/638385956.db2.gz BWVFPAWMDBFRII-LLVKDONJSA-N 0 3 245.342 0.488 20 0 BCADHN C[C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1CO ZINC000907631822 638424307 /nfs/dbraw/zinc/42/43/07/638424307.db2.gz HMTLIWDCRGZOHN-CMPLNLGQSA-N 0 3 240.347 0.700 20 0 BCADHN C=C/C=C/CCN1CCN(CCO)CC1 ZINC000713756662 711455128 /nfs/dbraw/zinc/45/51/28/711455128.db2.gz VYENUBLCHHHGGE-ONEGZZNKSA-N 0 3 210.321 0.729 20 0 BCADHN CCNS(=O)(=O)N1CCC12CCN(C)CC2 ZINC000907853951 638488689 /nfs/dbraw/zinc/48/86/89/638488689.db2.gz PDVCPMAYZDTIJO-UHFFFAOYSA-N 0 3 247.364 0.011 20 0 BCADHN CC(=O)N1CCN(c2cc(C)nc(N)n2)CC1 ZINC000043532019 638523507 /nfs/dbraw/zinc/52/35/07/638523507.db2.gz ZDVDAQZUXHCBIL-UHFFFAOYSA-N 0 3 235.291 0.036 20 0 BCADHN O=C(O[C@H]1CNOC1)[C@H]1CC[C@H]2CCCCN21 ZINC000908118578 638572732 /nfs/dbraw/zinc/57/27/32/638572732.db2.gz LALSKCGXCOCRFH-OUAUKWLOSA-N 0 3 240.303 0.450 20 0 BCADHN C/C(=C(/F)C(=O)N[C@@H](CO)CN(C)C)C1CC1 ZINC000908199819 638606806 /nfs/dbraw/zinc/60/68/06/638606806.db2.gz FGGNTCVIDVEMCT-UBYNWHESSA-N 0 3 244.310 0.679 20 0 BCADHN C/C(=C(/F)C(=O)N[C@H](CO)CN(C)C)C1CC1 ZINC000908199484 638606953 /nfs/dbraw/zinc/60/69/53/638606953.db2.gz FGGNTCVIDVEMCT-DFYQSJSGSA-N 0 3 244.310 0.679 20 0 BCADHN CC(C)=C(C)C(=O)N[C@H](CO)CN1CCCC1 ZINC000908205522 638609410 /nfs/dbraw/zinc/60/94/10/638609410.db2.gz WDXNRQHXLMEPRL-LBPRGKRZSA-N 0 3 240.347 0.916 20 0 BCADHN CCC/C=C\C(=O)N[C@H](CO)CN1CCCC1 ZINC000908207872 638611951 /nfs/dbraw/zinc/61/19/51/638611951.db2.gz KNWGJMCEIHKLEK-KMSCOEIWSA-N 0 3 240.347 0.916 20 0 BCADHN C/C=C\C(=O)N[C@H](CO)CN1CCCC1 ZINC000908208039 638613317 /nfs/dbraw/zinc/61/33/17/638613317.db2.gz LSDKJKILGLMIAI-ODTOEKCJSA-N 0 3 212.293 0.135 20 0 BCADHN CCN(C(=O)CN(C)C1CCC1)[C@@H](C)CO ZINC000908439097 638715612 /nfs/dbraw/zinc/71/56/12/638715612.db2.gz LFDKPLAZDQCXGV-JTQLQIEISA-N 0 3 228.336 0.700 20 0 BCADHN O=C(CCF)NC[C@H]1CCCCN1CCO ZINC000908542342 639008471 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3 211.265 0.548 20 0 BCADHN Cc1nc([C@@H]2CCN(C[C@H](O)C3CC3)C2)no1 ZINC000931936312 640395469 /nfs/dbraw/zinc/39/54/69/640395469.db2.gz XKNLECOIYCRETM-MNOVXSKESA-N 0 3 237.303 0.938 20 0 BCADHN COC[C@@H](O)CN1CC[C@H](c2noc(C)n2)C1 ZINC000931938575 640395621 /nfs/dbraw/zinc/39/56/21/640395621.db2.gz SWYOESDEKMJQNM-UWVGGRQHSA-N 0 3 241.291 0.175 20 0 BCADHN Cc1ncc(CN2CC[C@H](C3OCCO3)C2)cn1 ZINC000932000832 640406811 /nfs/dbraw/zinc/40/68/11/640406811.db2.gz RKDYNZWNSHTWAT-LBPRGKRZSA-N 0 3 249.314 0.980 20 0 BCADHN CC(C)(C)C(=O)NCCNCc1c[nH]cn1 ZINC000163900160 640425551 /nfs/dbraw/zinc/42/55/51/640425551.db2.gz FQZCWMZSADANOH-UHFFFAOYSA-N 0 3 224.308 0.662 20 0 BCADHN CC(C)(C)C(=O)NCCNCc1cnc[nH]1 ZINC000163900160 640425561 /nfs/dbraw/zinc/42/55/61/640425561.db2.gz FQZCWMZSADANOH-UHFFFAOYSA-N 0 3 224.308 0.662 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000932109550 640428994 /nfs/dbraw/zinc/42/89/94/640428994.db2.gz QZKNXZXMUSZELO-OPRDCNLKSA-N 0 3 242.319 0.381 20 0 BCADHN CN1CCNC[C@H]1C(=O)NC1CCCCC1 ZINC000221923204 640431644 /nfs/dbraw/zinc/43/16/44/640431644.db2.gz LHCKALVTGUKNOP-NSHDSACASA-N 0 3 225.336 0.339 20 0 BCADHN CC(C)n1cc(CNCC[S@@](C)=O)cn1 ZINC000164123776 640450726 /nfs/dbraw/zinc/45/07/26/640450726.db2.gz KNIZDQFAHALZMM-HNNXBMFYSA-N 0 3 229.349 0.932 20 0 BCADHN C[C@@H](O)CN1CCC[C@@H]1c1ccnn1C ZINC000932260726 640461817 /nfs/dbraw/zinc/46/18/17/640461817.db2.gz KUEHHDJFIQLPLH-MWLCHTKSSA-N 0 3 209.293 0.938 20 0 BCADHN C[C@@H](O)CN1CCC[C@H]1c1ccnn1C ZINC000932260725 640462646 /nfs/dbraw/zinc/46/26/46/640462646.db2.gz KUEHHDJFIQLPLH-KOLCDFICSA-N 0 3 209.293 0.938 20 0 BCADHN COC[C@H](O)CN1CCC[C@@H]1c1ccnn1C ZINC000932266386 640465460 /nfs/dbraw/zinc/46/54/60/640465460.db2.gz XNVZDQUXBCYZJO-ZYHUDNBSSA-N 0 3 239.319 0.564 20 0 BCADHN C[C@@H](O)CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001030032549 640476815 /nfs/dbraw/zinc/47/68/15/640476815.db2.gz RWDQHNBNFFBXBM-WISYIIOYSA-N 0 3 240.347 0.604 20 0 BCADHN C[C@@H]1CCN(CCN2CCNC2=O)CCO1 ZINC000932337952 640480637 /nfs/dbraw/zinc/48/06/37/640480637.db2.gz XCCPFBOGPNDZFZ-SNVBAGLBSA-N 0 3 227.308 0.122 20 0 BCADHN C[C@H](O)[C@@H](O)CN[C@@H](c1ccccn1)C1CC1 ZINC000932383514 640510190 /nfs/dbraw/zinc/51/01/90/640510190.db2.gz FBWIGPSCQKSRTR-TVYUQYBPSA-N 0 3 236.315 0.864 20 0 BCADHN C[C@H](O)[C@H](O)CN[C@H](c1ccccn1)C1CC1 ZINC000932383512 640511263 /nfs/dbraw/zinc/51/12/63/640511263.db2.gz FBWIGPSCQKSRTR-BIMULSAOSA-N 0 3 236.315 0.864 20 0 BCADHN c1nnnn1CCN[C@@H](c1ccccn1)C1CC1 ZINC000932385777 640513726 /nfs/dbraw/zinc/51/37/26/640513726.db2.gz MBVAGHJXFPMROG-GFCCVEGCSA-N 0 3 244.302 0.809 20 0 BCADHN CC(C)CN(Cc1ccccn1)C[C@@H](O)CO ZINC000932445582 640529147 /nfs/dbraw/zinc/52/91/47/640529147.db2.gz CHFQHUFDSBAFQN-CYBMUJFWSA-N 0 3 238.331 0.893 20 0 BCADHN O=C1C[C@H](NCc2cnc[nH]2)CN1C1CC1 ZINC000165186564 640543190 /nfs/dbraw/zinc/54/31/90/640543190.db2.gz QVVRPUVKULREFD-QMMMGPOBSA-N 0 3 220.276 0.263 20 0 BCADHN C[NH+]1CCC(Nc2cc(=O)[n-]cn2)CC1 ZINC000165185604 640543283 /nfs/dbraw/zinc/54/32/83/640543283.db2.gz AQXCOXYOJBAXJP-UHFFFAOYSA-N 0 3 208.265 0.276 20 0 BCADHN CCN(CCC(N)=O)Cc1cccnc1 ZINC000932480052 640549893 /nfs/dbraw/zinc/54/98/93/640549893.db2.gz CVKKLIZVZZZFNV-UHFFFAOYSA-N 0 3 207.277 0.779 20 0 BCADHN CC[NH+](CC)C[C@@H](C)Nc1cc(=O)[n-]cn1 ZINC000165226940 640551219 /nfs/dbraw/zinc/55/12/19/640551219.db2.gz SZJYEZUKXLCYLN-SECBINFHSA-N 0 3 224.308 0.912 20 0 BCADHN C[NH+](C)C(C)(C)CNc1cc(=O)[n-]cn1 ZINC000165236839 640551278 /nfs/dbraw/zinc/55/12/78/640551278.db2.gz QZSVTERHXKEWTN-UHFFFAOYSA-N 0 3 210.281 0.522 20 0 BCADHN C[C@@H]1COC[C@@H]1NCc1[nH]nc2c1COCC2 ZINC000932486530 640552152 /nfs/dbraw/zinc/55/21/52/640552152.db2.gz BMRUANSIEIYXKQ-PELKAZGASA-N 0 3 237.303 0.607 20 0 BCADHN CCCCCNC(=O)CN[C@H]1COC[C@@H]1C ZINC000932496112 640558107 /nfs/dbraw/zinc/55/81/07/640558107.db2.gz ARSXTRWQMCTPMI-QWRGUYRKSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@H]([NH3+])[C@H](C)C(=O)[N-]OCC(F)(F)F ZINC000165606607 640586412 /nfs/dbraw/zinc/58/64/12/640586412.db2.gz XOVUVXGSFAPFTO-WHFBIAKZSA-N 0 3 214.187 0.580 20 0 BCADHN CC[C@](C)(O)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000932553291 640574979 /nfs/dbraw/zinc/57/49/79/640574979.db2.gz OAPJUBVFYJVRCG-AAEUAGOBSA-N 0 3 240.347 0.843 20 0 BCADHN CCOC(=O)[C@H]1CCN(C[C@@H]2CCC(=O)N2)C1 ZINC000932639668 640592568 /nfs/dbraw/zinc/59/25/68/640592568.db2.gz ATBWBCYVQPLWML-UWVGGRQHSA-N 0 3 240.303 0.150 20 0 BCADHN C[C@H](CNC(=O)c1ccc[n+]([O-])c1)N1CCCC1 ZINC000057308066 640598744 /nfs/dbraw/zinc/59/87/44/640598744.db2.gz ABYLSLHKISTTBL-LLVKDONJSA-N 0 3 249.314 0.534 20 0 BCADHN CC(=O)CCN1CCC([C@@H]2COC(=O)N2)CC1 ZINC000932769933 640607798 /nfs/dbraw/zinc/60/77/98/640607798.db2.gz LMMVLGPSYMQHNY-NSHDSACASA-N 0 3 240.303 0.786 20 0 BCADHN CC(C)CN1CC(NC(=O)[C@@H]2CCCN2C)C1 ZINC001030153879 640638793 /nfs/dbraw/zinc/63/87/93/640638793.db2.gz FPAOFUJDFFEESZ-LBPRGKRZSA-N 0 3 239.363 0.537 20 0 BCADHN COC[C@@H](CN1C2CCC1(C(N)=O)CC2)OC ZINC000932934371 640648037 /nfs/dbraw/zinc/64/80/37/640648037.db2.gz LDDBJYYBVROIME-SQLBVSGCSA-N 0 3 242.319 0.130 20 0 BCADHN CCO[C@H]1CCN(CCN2CCNC2=O)C1 ZINC000932968991 640652624 /nfs/dbraw/zinc/65/26/24/640652624.db2.gz QMBILRBELVNPJC-JTQLQIEISA-N 0 3 227.308 0.122 20 0 BCADHN CCO[C@H]1CCN(CCN2C(=O)CCC2=O)C1 ZINC000932973841 640658156 /nfs/dbraw/zinc/65/81/56/640658156.db2.gz LSRZHCZGYDHDJI-JTQLQIEISA-N 0 3 240.303 0.246 20 0 BCADHN C[C@@H](C(N)=O)N1CCC[C@@H](C2CCOCC2)C1 ZINC000933081429 640667323 /nfs/dbraw/zinc/66/73/23/640667323.db2.gz IBTXZPFMJZYQAW-CMPLNLGQSA-N 0 3 240.347 0.999 20 0 BCADHN NC(=O)CN1CCC[C@@H](C2CCOCC2)C1 ZINC000933081920 640667431 /nfs/dbraw/zinc/66/74/31/640667431.db2.gz KJLZONBDCUIUSI-LLVKDONJSA-N 0 3 226.320 0.610 20 0 BCADHN COc1ccccc1[C@H](C)NC[C@@H](O)CO ZINC000078429950 640672874 /nfs/dbraw/zinc/67/28/74/640672874.db2.gz GXQOSRVYVYGJPU-VHSXEESVSA-N 0 3 225.288 0.699 20 0 BCADHN CC[C@@H]1C(=O)NCCCN1CC1(C)COC1 ZINC000933218837 640683345 /nfs/dbraw/zinc/68/33/45/640683345.db2.gz UZBLCVSMLMBIQK-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](N)c1cn(Cc2ccncc2)nn1 ZINC000167122784 640701810 /nfs/dbraw/zinc/70/18/10/640701810.db2.gz VIPPLBHTFRPXQA-MRVPVSSYSA-N 0 3 203.249 0.741 20 0 BCADHN C[C@@H](N)c1cn(C[C@@H](O)C(F)(F)F)nn1 ZINC000167114836 640701963 /nfs/dbraw/zinc/70/19/63/640701963.db2.gz YIEAUCLSVFRUMI-INEUFUBQSA-N 0 3 224.186 0.221 20 0 BCADHN CNC(=O)[C@H]1CCCN(c2cc(C)nc(N)n2)C1 ZINC000225736499 640707154 /nfs/dbraw/zinc/70/71/54/640707154.db2.gz ZMQZPACQTXRJQQ-VIFPVBQESA-N 0 3 249.318 0.330 20 0 BCADHN COCCN1CCC(N2CCCOC2=O)CC1 ZINC000933619555 640736282 /nfs/dbraw/zinc/73/62/82/640736282.db2.gz ZHNSTMVYEHUANV-UHFFFAOYSA-N 0 3 242.319 0.940 20 0 BCADHN COC(=O)/C(C)=C/CN1CC[C@@](C)(O)C1 ZINC000226212931 640739433 /nfs/dbraw/zinc/73/94/33/640739433.db2.gz MADOEMIMUSMSGE-VCFDLTMXSA-N 0 3 213.277 0.562 20 0 BCADHN C[C@H](O)CCN1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933662830 640739772 /nfs/dbraw/zinc/73/97/72/640739772.db2.gz IUCUNCDHOOTEPP-AVGNSLFASA-N 0 3 243.347 0.885 20 0 BCADHN CC[C@@H](O)CN1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933674013 640740333 /nfs/dbraw/zinc/74/03/33/640740333.db2.gz ZDQNRCDEILFVNN-JHJVBQTASA-N 0 3 243.347 0.885 20 0 BCADHN OCCCCN1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933674019 640740353 /nfs/dbraw/zinc/74/03/53/640740353.db2.gz ZFCJJNAZGLYKTE-OLZOCXBDSA-N 0 3 243.347 0.886 20 0 BCADHN OCCCCN1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933674018 640742151 /nfs/dbraw/zinc/74/21/51/640742151.db2.gz ZFCJJNAZGLYKTE-CHWSQXEVSA-N 0 3 243.347 0.886 20 0 BCADHN C[C@@H](CC(N)=O)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000226324880 640748036 /nfs/dbraw/zinc/74/80/36/640748036.db2.gz KZFYODSFVNYAHC-ZETCQYMHSA-N 0 3 226.251 0.885 20 0 BCADHN O=S1(=O)C[C@H]2CN(CC3CCC3)C[C@H]2C1 ZINC000933720943 640751574 /nfs/dbraw/zinc/75/15/74/640751574.db2.gz SRMAZXFPQZOYRT-PHIMTYICSA-N 0 3 229.345 0.763 20 0 BCADHN COCC[C@@H](C)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933728863 640752108 /nfs/dbraw/zinc/75/21/08/640752108.db2.gz OVACFSXFWMGBKE-MXWKQRLJSA-N 0 3 247.360 0.388 20 0 BCADHN COCCNCC(=O)N[C@@H]1CC[C@@H](SC)C1 ZINC000226375383 640755390 /nfs/dbraw/zinc/75/53/90/640755390.db2.gz AMCJZFDFIAZWEA-NXEZZACHSA-N 0 3 246.376 0.623 20 0 BCADHN NC(=O)[C@]12CCC[C@H]1CN(Cc1cc[nH]n1)C2 ZINC000933755874 640763554 /nfs/dbraw/zinc/76/35/54/640763554.db2.gz LCDVBSUBTPUQOU-CABZTGNLSA-N 0 3 234.303 0.497 20 0 BCADHN Cc1c[nH]nc1CN1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933748149 640763950 /nfs/dbraw/zinc/76/39/50/640763950.db2.gz JVXXKVCKBARPJB-GWCFXTLKSA-N 0 3 248.330 0.806 20 0 BCADHN CCN(CCC(=O)NC)Cc1cccnc1N ZINC000933863299 640774011 /nfs/dbraw/zinc/77/40/11/640774011.db2.gz VNLSQBCNYJWOGF-UHFFFAOYSA-N 0 3 236.319 0.622 20 0 BCADHN CCN(CCC(=O)NC)[C@H](C)c1cnccn1 ZINC000933864429 640774321 /nfs/dbraw/zinc/77/43/21/640774321.db2.gz VGQXRERKYRVRPW-SNVBAGLBSA-N 0 3 236.319 0.996 20 0 BCADHN CCOCCN1CCC[C@H]1C1OCCO1 ZINC000933898551 640784162 /nfs/dbraw/zinc/78/41/62/640784162.db2.gz FKZQCXKFRIUFKJ-JTQLQIEISA-N 0 3 215.293 0.860 20 0 BCADHN CCOC[C@H](O)CN1CCC[C@@H]1C1OCCO1 ZINC000933909636 640788172 /nfs/dbraw/zinc/78/81/72/640788172.db2.gz OLDMONYQUXTTHK-GHMZBOCLSA-N 0 3 245.319 0.221 20 0 BCADHN CC[C@@](C)(O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000933926530 640790817 /nfs/dbraw/zinc/79/08/17/640790817.db2.gz DIBANAXOLIMWQQ-ZYHUDNBSSA-N 0 3 228.336 0.605 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCO[C@@H]3COCC[C@@H]32)C1 ZINC000933969055 640798659 /nfs/dbraw/zinc/79/86/59/640798659.db2.gz UGLMRKCHJFIGCZ-QNWHQSFQSA-N 0 3 241.331 0.901 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C ZINC000934008008 640806948 /nfs/dbraw/zinc/80/69/48/640806948.db2.gz MSQUZNRWJRIZLY-RKDXNWHRSA-N 0 3 200.282 0.041 20 0 BCADHN OC[C@H]1CCN1C[C@@H]1CCC2(COC2)O1 ZINC000934015161 640808928 /nfs/dbraw/zinc/80/89/28/640808928.db2.gz NKPQJEALZKOUGQ-ZJUUUORDSA-N 0 3 213.277 0.001 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000227380340 640830994 /nfs/dbraw/zinc/83/09/94/640830994.db2.gz CIVDGHKBAQJKBO-GUBZILKMSA-N 0 3 214.309 0.607 20 0 BCADHN O[C@]1(CN[C@@H]2CCc3cccnc32)CCOC1 ZINC000227119136 640816823 /nfs/dbraw/zinc/81/68/23/640816823.db2.gz YWJOPRMRRDMDIV-YPMHNXCESA-N 0 3 234.299 0.810 20 0 BCADHN C[C@H]1CCN(c2ccnc(CO)c2)[C@@H]1CO ZINC000227173695 640817919 /nfs/dbraw/zinc/81/79/19/640817919.db2.gz FYTCXDJCUHUERH-JOYOIKCWSA-N 0 3 222.288 0.781 20 0 BCADHN Cn1ccc(CCNCc2cnccn2)n1 ZINC000227223605 640820820 /nfs/dbraw/zinc/82/08/20/640820820.db2.gz MIPCPVDXTPCBKM-UHFFFAOYSA-N 0 3 217.276 0.542 20 0 BCADHN CO[C@@H](CN)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000227388297 640830389 /nfs/dbraw/zinc/83/03/89/640830389.db2.gz JMUBZBBXRDUSLR-UTLUCORTSA-N 0 3 214.309 0.607 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000227526107 640839674 /nfs/dbraw/zinc/83/96/74/640839674.db2.gz UZFYEWFAYOFPCF-UKKRHICBSA-N 0 3 244.335 0.293 20 0 BCADHN COCC[C@@H](N)C(=O)NC[C@]1(C)CCCO1 ZINC000087253965 640865628 /nfs/dbraw/zinc/86/56/28/640865628.db2.gz UKMZXVHTLDLKCT-KOLCDFICSA-N 0 3 230.308 0.036 20 0 BCADHN COCC[C@@H](N)C(=O)N[C@H](C)CCSC ZINC000228943822 640905903 /nfs/dbraw/zinc/90/59/03/640905903.db2.gz TWRWHBOCIXVPRS-RKDXNWHRSA-N 0 3 234.365 0.608 20 0 BCADHN COCC[C@H](N)C(=O)NCC(C)(C)SC ZINC000229108706 640925996 /nfs/dbraw/zinc/92/59/96/640925996.db2.gz IVFVMNXJNFWDSF-QMMMGPOBSA-N 0 3 234.365 0.608 20 0 BCADHN Cc1ccncc1CNCC[S@](C)=O ZINC000229171073 640929451 /nfs/dbraw/zinc/92/94/51/640929451.db2.gz NRAWQWXXCPMSRK-AWEZNQCLSA-N 0 3 212.318 0.858 20 0 BCADHN COC[C@@H](CO)NC[C@@H](O)c1ccc(F)cc1 ZINC000229189038 640931519 /nfs/dbraw/zinc/93/15/19/640931519.db2.gz RJMCDMWRFXYQPO-VXGBXAGGSA-N 0 3 243.278 0.456 20 0 BCADHN COC[C@@H](CO)NC[C@H](O)c1cccc(F)c1 ZINC000229196257 640933022 /nfs/dbraw/zinc/93/30/22/640933022.db2.gz SXDCVHRRCDORLA-NEPJUHHUSA-N 0 3 243.278 0.456 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000229389257 640952633 /nfs/dbraw/zinc/95/26/33/640952633.db2.gz QTUGCRIFKWNIEZ-NXEZZACHSA-N 0 3 242.319 0.335 20 0 BCADHN CN(C[Si](C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000171730106 641006608 /nfs/dbraw/zinc/00/66/08/641006608.db2.gz SYBKTVACUPFHBC-VIFPVBQESA-N 0 3 235.425 0.983 20 0 BCADHN Cc1cc(NC[C@@H](O)C(C)C)nc(N)n1 ZINC000230059747 641010299 /nfs/dbraw/zinc/01/02/99/641010299.db2.gz WAVOPSJGCVQAOH-MRVPVSSYSA-N 0 3 210.281 0.796 20 0 BCADHN C[C@@H](C[NH2+][C@@H](C)C(=O)[O-])CN1CCCC1 ZINC000062071063 641019036 /nfs/dbraw/zinc/01/90/36/641019036.db2.gz JXZWVLKVPSRTAY-UWVGGRQHSA-N 0 3 214.309 0.781 20 0 BCADHN CCC(=O)N1CCCN(CC2(C)COC2)CC1 ZINC000605437463 641024973 /nfs/dbraw/zinc/02/49/73/641024973.db2.gz JCRKBLSGURTRAE-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CC1(C)OC[C@H](CNC2COC(C)(C)OC2)O1 ZINC000230213678 641038979 /nfs/dbraw/zinc/03/89/79/641038979.db2.gz XFHCUSPUEDJPTI-JTQLQIEISA-N 0 3 245.319 0.879 20 0 BCADHN CO[C@H]1CC[C@@H]1N(C)CCCCS(C)(=O)=O ZINC000934103678 641065656 /nfs/dbraw/zinc/06/56/56/641065656.db2.gz DHJGTTDGIHPLBP-QWRGUYRKSA-N 0 3 249.376 0.920 20 0 BCADHN CO[C@H]1CC[C@@H]1N(C)CCN1CCNC1=O ZINC000934107085 641070650 /nfs/dbraw/zinc/07/06/50/641070650.db2.gz GMISNCSGZWTPTB-UWVGGRQHSA-N 0 3 227.308 0.121 20 0 BCADHN C[C@H](NCCn1cnnn1)c1cncs1 ZINC000934196553 641097929 /nfs/dbraw/zinc/09/79/29/641097929.db2.gz UOHGSKKBZMBVLU-ZETCQYMHSA-N 0 3 224.293 0.480 20 0 BCADHN CNC(=O)[C@]1(C)CCN(Cc2cnc(N)cn2)C1 ZINC000230918541 641114028 /nfs/dbraw/zinc/11/40/28/641114028.db2.gz DRJYMNZBGIETBQ-GFCCVEGCSA-N 0 3 249.318 0.017 20 0 BCADHN C[C@@H]1CSCCCN1CC(=O)N(C)C ZINC000934296632 641117401 /nfs/dbraw/zinc/11/74/01/641117401.db2.gz MLHSTDJOXZBZIA-SECBINFHSA-N 0 3 216.350 0.902 20 0 BCADHN C[C@H]1CSCCCN1CC(=O)N(C)C ZINC000934296633 641118644 /nfs/dbraw/zinc/11/86/44/641118644.db2.gz MLHSTDJOXZBZIA-VIFPVBQESA-N 0 3 216.350 0.902 20 0 BCADHN COc1ccnc(CN[C@H]2C[C@@H](NC(C)=O)C2)c1 ZINC001021746833 641187334 /nfs/dbraw/zinc/18/73/34/641187334.db2.gz PWNSUUIGMOVUQY-PHIMTYICSA-N 0 3 249.314 0.847 20 0 BCADHN CC(=O)N[C@H]1C[C@@H](NCc2conc2C)C1 ZINC001021748293 641189900 /nfs/dbraw/zinc/18/99/00/641189900.db2.gz ONZSHWCUUKATCT-PHIMTYICSA-N 0 3 223.276 0.740 20 0 BCADHN CC(=O)N[C@H]1C[C@@H](NCc2cnc(C)cn2)C1 ZINC001021751689 641190590 /nfs/dbraw/zinc/19/05/90/641190590.db2.gz KRZBWMYRIXAUDH-PHIMTYICSA-N 0 3 234.303 0.542 20 0 BCADHN Cc1cc(NCC(F)(F)CO)nc(N)n1 ZINC000231780229 641204282 /nfs/dbraw/zinc/20/42/82/641204282.db2.gz OCPRTCFZKIYFSM-UHFFFAOYSA-N 0 3 218.207 0.407 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](O)C1 ZINC000934943132 641308986 /nfs/dbraw/zinc/30/89/86/641308986.db2.gz FIOKNRRFMYJOPR-OUAUKWLOSA-N 0 3 226.320 0.499 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)NCc1ncccn1 ZINC000934976963 641312441 /nfs/dbraw/zinc/31/24/41/641312441.db2.gz NUZKBCBONHQOJG-NSHDSACASA-N 0 3 248.330 0.966 20 0 BCADHN CCCN(C)CC(=O)NCC(=O)OC(C)C ZINC000730285032 641365164 /nfs/dbraw/zinc/36/51/64/641365164.db2.gz FOVMJCRMAHAMSL-UHFFFAOYSA-N 0 3 230.308 0.396 20 0 BCADHN OCCN(CCO)CCSc1ccncc1 ZINC000929514417 641341189 /nfs/dbraw/zinc/34/11/89/641341189.db2.gz PMARTGOEYQKITJ-UHFFFAOYSA-N 0 3 242.344 0.460 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H](CO)C1CC1 ZINC000935200009 641361456 /nfs/dbraw/zinc/36/14/56/641361456.db2.gz LVEOLYQXZVIPLB-NWDGAFQWSA-N 0 3 240.347 0.746 20 0 BCADHN CC(C)OC[C@H](O)CNC[C@H](O)C(F)(F)F ZINC000232704254 641368068 /nfs/dbraw/zinc/36/80/68/641368068.db2.gz TZWAYRZSOHUGRO-SFYZADRCSA-N 0 3 245.241 0.285 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NCCOC(N)=O ZINC000935225217 641370241 /nfs/dbraw/zinc/37/02/41/641370241.db2.gz BBHCNQTUPMFGJA-SECBINFHSA-N 0 3 243.307 0.485 20 0 BCADHN COC[C@H]1CCN([C@H]2CCN(OC)C2=O)C1 ZINC000929695268 641400900 /nfs/dbraw/zinc/40/09/00/641400900.db2.gz YDYKGJPPPPHKOV-UWVGGRQHSA-N 0 3 228.292 0.117 20 0 BCADHN CC[C@@H](C(=O)NC12CCN(CC1)C2)N(C)C ZINC000913630925 641433612 /nfs/dbraw/zinc/43/36/12/641433612.db2.gz GKXNGSPCCPTRQH-JTQLQIEISA-N 0 3 225.336 0.291 20 0 BCADHN CC(C)[C@H](C(=O)Nc1c[nH]nn1)N(C)C ZINC000935596225 641439340 /nfs/dbraw/zinc/43/93/40/641439340.db2.gz IKLWSGWVSANUGP-MRVPVSSYSA-N 0 3 211.269 0.329 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CC)C[C@H](C)O)N(C)C ZINC000913784436 641473918 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CCn1nncc1CN[C@@H](C)C(C)(C)CO ZINC000926740777 645398099 /nfs/dbraw/zinc/39/80/99/645398099.db2.gz JJNIFOKDWPQYSM-VIFPVBQESA-N 0 3 226.324 0.795 20 0 BCADHN CCn1nncc1CN[C@@H]1CO[C@H](C)[C@H]1C ZINC000926742340 645398151 /nfs/dbraw/zinc/39/81/51/645398151.db2.gz XEVVGMAGUSGVRR-FXPVBKGRSA-N 0 3 224.308 0.811 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CO[C@H](C)[C@H]1C ZINC000926772990 645420117 /nfs/dbraw/zinc/42/01/17/645420117.db2.gz XURCCJOFHQHXOT-UTINFBMNSA-N 0 3 230.308 0.408 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@@H]1CO[C@@H](C)[C@H]1C ZINC000926772987 645420321 /nfs/dbraw/zinc/42/03/21/645420321.db2.gz XURCCJOFHQHXOT-DOLQZWNJSA-N 0 3 230.308 0.408 20 0 BCADHN C[C@H]1[C@H](C)OC[C@H]1NC1CN(c2ccncn2)C1 ZINC000926793925 645436155 /nfs/dbraw/zinc/43/61/55/645436155.db2.gz VGAGMAXKXAQCRC-JBLDHEPKSA-N 0 3 248.330 0.678 20 0 BCADHN CC1(C(N)=O)CN(CC[C@H]2COC(C)(C)O2)C1 ZINC000852205033 645473058 /nfs/dbraw/zinc/47/30/58/645473058.db2.gz UVMDDUIVFWHUAJ-VIFPVBQESA-N 0 3 242.319 0.335 20 0 BCADHN CC(=O)NCCN(C)CCOC(F)F ZINC000852205391 645473209 /nfs/dbraw/zinc/47/32/09/645473209.db2.gz LLDDROKNJSVSKX-UHFFFAOYSA-N 0 3 210.224 0.294 20 0 BCADHN C[C@H](N[C@H]1COC[C@@H]1C)c1cnnn1C ZINC000926901742 645482726 /nfs/dbraw/zinc/48/27/26/645482726.db2.gz WVOHELWXTOBTRQ-CIUDSAMLSA-N 0 3 210.281 0.501 20 0 BCADHN CN1CC[C@@](O)(CNc2cnc(F)cn2)C1 ZINC000853479934 645494816 /nfs/dbraw/zinc/49/48/16/645494816.db2.gz YSBMAXWUMWGNNX-SNVBAGLBSA-N 0 3 226.255 0.094 20 0 BCADHN O=C1C[C@H](CCN[C@@H]2CCCc3c[nH]nc32)CN1 ZINC000926980163 645504515 /nfs/dbraw/zinc/50/45/15/645504515.db2.gz OOPPSJVFSQDVRU-GXSJLCMTSA-N 0 3 248.330 0.903 20 0 BCADHN C[C@H](NCCO[C@H]1CCOC1)c1ccnn1C ZINC000927078764 645539034 /nfs/dbraw/zinc/53/90/34/645539034.db2.gz AGFCXWGZKQFICG-QWRGUYRKSA-N 0 3 239.319 0.876 20 0 BCADHN C[C@@H](NCCO[C@H]1CCOC1)c1ccnnc1 ZINC000927077111 645540983 /nfs/dbraw/zinc/54/09/83/645540983.db2.gz HWLXDXQLBJHQBT-PWSUYJOCSA-N 0 3 237.303 0.933 20 0 BCADHN Cc1cccnc1N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000927215210 645587030 /nfs/dbraw/zinc/58/70/30/645587030.db2.gz BPJYEQOTGXKYSP-VIFPVBQESA-N 0 3 248.286 0.376 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)COC2CC2)CCN1C ZINC000928425664 645740605 /nfs/dbraw/zinc/74/06/05/645740605.db2.gz DIZLENJNFXOHDA-SCZZXKLOSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1C)c1cnccn1 ZINC000928428787 645742844 /nfs/dbraw/zinc/74/28/44/645742844.db2.gz YWRPSFKRERTKJH-HBNTYKKESA-N 0 3 248.330 0.789 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CCN1C ZINC000928441100 645745305 /nfs/dbraw/zinc/74/53/05/645745305.db2.gz OUFAESYXUYDOMQ-BDAKNGLRSA-N 0 3 222.292 0.243 20 0 BCADHN C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCN1C ZINC000928430934 645750083 /nfs/dbraw/zinc/75/00/83/645750083.db2.gz AMJVLYJJUCDOHP-UWVGGRQHSA-N 0 3 222.292 0.092 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCSC2)CCN1C ZINC000928444122 645751158 /nfs/dbraw/zinc/75/11/58/645751158.db2.gz XOEGHDDQVLTKIS-UTLUCORTSA-N 0 3 228.361 0.948 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2cnc[nH]2)CCN1C ZINC000928449567 645757501 /nfs/dbraw/zinc/75/75/01/645757501.db2.gz QNQIEKOHMZNOKO-JGVFFNPUSA-N 0 3 208.265 0.232 20 0 BCADHN Cc1ncc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c(C)n1 ZINC000928436125 645759836 /nfs/dbraw/zinc/75/98/36/645759836.db2.gz ISAKWQFUAFDSIS-BXKDBHETSA-N 0 3 248.330 0.916 20 0 BCADHN CC(C)OCC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928444885 645767051 /nfs/dbraw/zinc/76/70/51/645767051.db2.gz NBRQHEVKAZJXER-NXEZZACHSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2cccn(C)c2=O)CCN1C ZINC000928444560 645767368 /nfs/dbraw/zinc/76/73/68/645767368.db2.gz GUQNIJLDYCUIEB-GXSJLCMTSA-N 0 3 249.314 0.208 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@H]2CCSC2)CCN1C ZINC000928444119 645769407 /nfs/dbraw/zinc/76/94/07/645769407.db2.gz XOEGHDDQVLTKIS-KXUCPTDWSA-N 0 3 228.361 0.948 20 0 BCADHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1C)n1cncn1 ZINC000928446672 645771078 /nfs/dbraw/zinc/77/10/78/645771078.db2.gz YHRWWDOCAAGPCM-OPRDCNLKSA-N 0 3 237.307 0.048 20 0 BCADHN Cc1cc(CC(=O)N[C@@H]2CCN(C)[C@H]2C)no1 ZINC000928448980 645772610 /nfs/dbraw/zinc/77/26/10/645772610.db2.gz PKDQPWQWJJZABC-GXSJLCMTSA-N 0 3 237.303 0.734 20 0 BCADHN Cc1c(C(=O)N[C@@H]2CCN(C)[C@H]2C)cnn1C ZINC000928452261 645775178 /nfs/dbraw/zinc/77/51/78/645775178.db2.gz LYVZOCFXLZZTKV-GXSJLCMTSA-N 0 3 236.319 0.551 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cnc[nH]2)CCN1C ZINC000928449566 645775613 /nfs/dbraw/zinc/77/56/13/645775613.db2.gz QNQIEKOHMZNOKO-HTQZYQBOSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2cc[n+]([O-])cc2)CCN1C ZINC000928454330 645776587 /nfs/dbraw/zinc/77/65/87/645776587.db2.gz BYJKDUFBFNUQHU-KOLCDFICSA-N 0 3 235.287 0.142 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@@H]2CSC(=O)N2)CCN1C ZINC000928457334 645783202 /nfs/dbraw/zinc/78/32/02/645783202.db2.gz QOJVFYVCNJCGKO-PRJMDXOYSA-N 0 3 243.332 0.020 20 0 BCADHN C[C@@H]1[C@H](NC(=O)[C@H]2CSC(=O)N2)CCN1C ZINC000928457327 645783648 /nfs/dbraw/zinc/78/36/48/645783648.db2.gz QOJVFYVCNJCGKO-BWZBUEFSSA-N 0 3 243.332 0.020 20 0 BCADHN CCCN(C)CC(=O)N1CCO[C@H](C)CC1 ZINC000928534369 645792579 /nfs/dbraw/zinc/79/25/79/645792579.db2.gz IPAVIYSVTPKXQV-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CN(C[C@H]1CC1(C)C)S(=O)(=O)C1CNC1 ZINC000923659685 645799576 /nfs/dbraw/zinc/79/95/76/645799576.db2.gz PWROREUWJTZKLZ-MRVPVSSYSA-N 0 3 232.349 0.266 20 0 BCADHN CCON(CC)C(=O)CN[C@@H](C)[C@H](C)OC ZINC000877650238 645806306 /nfs/dbraw/zinc/80/63/06/645806306.db2.gz HFAFCGPNMCYDRQ-UWVGGRQHSA-N 0 3 232.324 0.799 20 0 BCADHN COC(OC)[C@@H](C)NC(=O)N(C)CCN(C)C ZINC000923664986 645809758 /nfs/dbraw/zinc/80/97/58/645809758.db2.gz KQKCBBPXKOUJHH-SECBINFHSA-N 0 3 247.339 0.197 20 0 BCADHN CN1CC[C@@H]1CNC(=O)c1ccc2cncn2c1 ZINC000928557235 645815190 /nfs/dbraw/zinc/81/51/90/645815190.db2.gz SAVCYQLGDQLHJS-LLVKDONJSA-N 0 3 244.298 0.768 20 0 BCADHN CC(C)N(C)CC(=O)N1CCc2ncncc2C1 ZINC000883032608 645846492 /nfs/dbraw/zinc/84/64/92/645846492.db2.gz OPGMQZQVHMJKAV-UHFFFAOYSA-N 0 3 248.330 0.702 20 0 BCADHN Cc1nonc1CNC(=O)[C@H](N)CC1CC1 ZINC000884141428 645867425 /nfs/dbraw/zinc/86/74/25/645867425.db2.gz YVZHAMWAIDOJHU-MRVPVSSYSA-N 0 3 224.264 0.122 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@H](C)[C@H]1C ZINC000884169762 645868060 /nfs/dbraw/zinc/86/80/60/645868060.db2.gz JVSXTIUFURFSLB-YIZRAAEISA-N 0 3 200.282 0.217 20 0 BCADHN COCC[C@@H](N)C(=O)NC[C@H](OC)C(C)(C)C ZINC000884166623 645868202 /nfs/dbraw/zinc/86/82/02/645868202.db2.gz HBQRDPVTBUHEEX-ZJUUUORDSA-N 0 3 246.351 0.528 20 0 BCADHN COCC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000885854915 645881014 /nfs/dbraw/zinc/88/10/14/645881014.db2.gz GLNVBXKTJCUSES-LLVKDONJSA-N 0 3 242.319 0.002 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@H]1COC[C@H]1C ZINC000928908874 645889617 /nfs/dbraw/zinc/88/96/17/645889617.db2.gz JDZAWQFGECKPPH-XCBNKYQSSA-N 0 3 223.276 0.412 20 0 BCADHN C[C@H](O)[C@H](O)CN1CCc2ccccc2C1 ZINC000929127011 645957724 /nfs/dbraw/zinc/95/77/24/645957724.db2.gz YLOHDZOEACVPTN-GXFFZTMASA-N 0 3 221.300 0.786 20 0 BCADHN C[C@H](C1CC1)N1CCCN(S(C)(=O)=O)CC1 ZINC000929201581 646000895 /nfs/dbraw/zinc/00/08/95/646000895.db2.gz SGUAHSFYRQYKBI-SNVBAGLBSA-N 0 3 246.376 0.752 20 0 BCADHN C[C@H](O)[C@@H](O)CN(C)Cc1cccs1 ZINC000929208121 646005254 /nfs/dbraw/zinc/00/52/54/646005254.db2.gz SFKQZSWBXNNLMQ-WPRPVWTQSA-N 0 3 215.318 0.922 20 0 BCADHN CN(C)C[C@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000924433130 646036666 /nfs/dbraw/zinc/03/66/66/646036666.db2.gz VEHGHOVWVWHUKW-LLVKDONJSA-N 0 3 247.298 0.669 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N(Cc2ccoc2)C1=O ZINC000924478878 646039968 /nfs/dbraw/zinc/03/99/68/646039968.db2.gz RGYXOLREIYLCQN-VIFPVBQESA-N 0 3 237.259 0.262 20 0 BCADHN CN(C)C[C@@H]1NC(=O)N(CC2CCC2)C1=O ZINC000924477350 646040373 /nfs/dbraw/zinc/04/03/73/646040373.db2.gz GYEFCCKORLRJCK-VIFPVBQESA-N 0 3 225.292 0.269 20 0 BCADHN CNC(=O)CN(C)C[C@@H](COC)C(C)C ZINC000929259006 646042372 /nfs/dbraw/zinc/04/23/72/646042372.db2.gz MOQFLTXAAFVKHK-JTQLQIEISA-N 0 3 216.325 0.583 20 0 BCADHN COC(=O)/C=C(\C)CN1CCCC[C@H]1CO ZINC000929269965 646048057 /nfs/dbraw/zinc/04/80/57/646048057.db2.gz YCZOFXQKRVULNF-HUYFXPKMSA-N 0 3 227.304 0.953 20 0 BCADHN O[C@@H](CN1CCSCC1)C1(O)CCC1 ZINC000929275931 646056908 /nfs/dbraw/zinc/05/69/08/646056908.db2.gz GKGJIOVKNUKLRA-VIFPVBQESA-N 0 3 217.334 0.311 20 0 BCADHN CCNC(=O)CN(C)CCCCCNC(C)=O ZINC000929294379 646067338 /nfs/dbraw/zinc/06/73/38/646067338.db2.gz CKGXGIIFDJWWTJ-UHFFFAOYSA-N 0 3 243.351 0.361 20 0 BCADHN CCCNC(=O)CN[C@H](C)c1cc[nH]c(=O)c1 ZINC000924560315 646069012 /nfs/dbraw/zinc/06/90/12/646069012.db2.gz BHEYROYMXYLXGS-SECBINFHSA-N 0 3 237.303 0.964 20 0 BCADHN CCCNC(=O)CN[C@@H](C)c1cc[nH]c(=O)c1 ZINC000924560316 646069487 /nfs/dbraw/zinc/06/94/87/646069487.db2.gz BHEYROYMXYLXGS-VIFPVBQESA-N 0 3 237.303 0.964 20 0 BCADHN CN(C[C@@H](O)C1(O)CCC1)C[C@H]1CCCCO1 ZINC000929327824 646078847 /nfs/dbraw/zinc/07/88/47/646078847.db2.gz MUTNPUQDANFILS-VXGBXAGGSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@H](O)[C@@H](O)CN(C)C[C@H]1CCCCO1 ZINC000929330398 646081103 /nfs/dbraw/zinc/08/11/03/646081103.db2.gz KSPJNDZULXYAKZ-AXFHLTTASA-N 0 3 217.309 0.229 20 0 BCADHN C[C@H](O)[C@H](O)CN(C)C[C@H]1CCCCO1 ZINC000929330402 646083109 /nfs/dbraw/zinc/08/31/09/646083109.db2.gz KSPJNDZULXYAKZ-HBNTYKKESA-N 0 3 217.309 0.229 20 0 BCADHN CN(C)C(C)(C)CNC(=O)c1cncc(C=O)c1 ZINC000929349491 646089989 /nfs/dbraw/zinc/08/99/89/646089989.db2.gz AIWMGBBWEBVVPF-UHFFFAOYSA-N 0 3 249.314 0.964 20 0 BCADHN CSC[C@@H](C)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924684536 646091558 /nfs/dbraw/zinc/09/15/58/646091558.db2.gz KZHKPUUBRBRUDF-SFYZADRCSA-N 0 3 245.348 0.220 20 0 BCADHN C(CN1CCN(C2CC2)CC1)OC1CC1 ZINC000929361889 646096708 /nfs/dbraw/zinc/09/67/08/646096708.db2.gz VJYNYLFXLBMSQG-UHFFFAOYSA-N 0 3 210.321 0.945 20 0 BCADHN C[C@H](NC[C@H]1CCOC1)c1cnn(C)n1 ZINC000924775382 646104664 /nfs/dbraw/zinc/10/46/64/646104664.db2.gz FMLVQPQZOLOJAF-DTWKUNHWSA-N 0 3 210.281 0.502 20 0 BCADHN C(CN1CCCOCC1)O[C@H]1CCOC1 ZINC000929411468 646111534 /nfs/dbraw/zinc/11/15/34/646111534.db2.gz IYDUTCTYJAMGHI-NSHDSACASA-N 0 3 215.293 0.514 20 0 BCADHN COC[C@@H](CN1CCO[C@H](C(N)=O)C1)C(C)C ZINC000929424687 646114307 /nfs/dbraw/zinc/11/43/07/646114307.db2.gz NFMJTESMKLUWII-MNOVXSKESA-N 0 3 244.335 0.091 20 0 BCADHN CC1CC(CN2CCO[C@@H](C(N)=O)C2)C1 ZINC000929423374 646115422 /nfs/dbraw/zinc/11/54/22/646115422.db2.gz AQCJCDGBLVRCPQ-UDNWOFFPSA-N 0 3 212.293 0.219 20 0 BCADHN CCON1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924843127 646116903 /nfs/dbraw/zinc/11/69/03/646116903.db2.gz YMHHLSZKBHKTIL-VIFPVBQESA-N 0 3 241.291 0.344 20 0 BCADHN CC[C@@H](CO)N1CCCN(C(=O)C(C)C)CC1 ZINC000929491783 646146376 /nfs/dbraw/zinc/14/63/76/646146376.db2.gz IYMHPCMWPCOARF-LBPRGKRZSA-N 0 3 242.363 0.948 20 0 BCADHN CS/C=C\C(=O)NC[C@@H]1C[C@H](O)CN1C ZINC000924987933 646149318 /nfs/dbraw/zinc/14/93/18/646149318.db2.gz NZJUYWIOEXJPKQ-HIYAPSCVSA-N 0 3 230.333 0.044 20 0 BCADHN CC[C@](C)(O)CN[C@@H](C)c1cnnn1C ZINC000924988121 646149496 /nfs/dbraw/zinc/14/94/96/646149496.db2.gz CDVNVWGRXUOJAN-WPRPVWTQSA-N 0 3 212.297 0.627 20 0 BCADHN CN(C)C[C@H]1NC(=O)N(OCC2CCC2)C1=O ZINC000924994292 646152368 /nfs/dbraw/zinc/15/23/68/646152368.db2.gz PFGQPQBZWVWFQW-SECBINFHSA-N 0 3 241.291 0.200 20 0 BCADHN C/C(Cl)=C\C(=O)NCCN(C)CCO ZINC000925002548 646154874 /nfs/dbraw/zinc/15/48/74/646154874.db2.gz JREXYXBJPQEATQ-BQYQJAHWSA-N 0 3 220.700 0.169 20 0 BCADHN CC/C(C)=C/C(=O)NCCN(C)CCO ZINC000925006015 646157829 /nfs/dbraw/zinc/15/78/29/646157829.db2.gz UFTMOPJYCNMJTA-MDZDMXLPSA-N 0 3 214.309 0.383 20 0 BCADHN CO[C@@H]1CCCN(CCO[C@H]2CCOC2)C1 ZINC000929508489 646158606 /nfs/dbraw/zinc/15/86/06/646158606.db2.gz WIRRBDGDMUFPOZ-NEPJUHHUSA-N 0 3 229.320 0.903 20 0 BCADHN C/C=C/C=C/C(=O)NCCN(C)CCO ZINC000925014576 646158596 /nfs/dbraw/zinc/15/85/96/646158596.db2.gz HDANVWRFICHWBV-VNKDHWASSA-N 0 3 212.293 0.159 20 0 BCADHN CN(CCO)CCNC(=O)/C=C/c1ccco1 ZINC000925018178 646158930 /nfs/dbraw/zinc/15/89/30/646158930.db2.gz XHCPVNXVKISQLV-SNAWJCMRSA-N 0 3 238.287 0.333 20 0 BCADHN OCCN(CCO)C[C@H]1CCCC2(CCC2)O1 ZINC000929513400 646161843 /nfs/dbraw/zinc/16/18/43/646161843.db2.gz IUJMUAXYMFJNBX-GFCCVEGCSA-N 0 3 243.347 0.765 20 0 BCADHN C[C@@H](NCCOc1cccnc1)c1cnnn1C ZINC000925063172 646171675 /nfs/dbraw/zinc/17/16/75/646171675.db2.gz DAPJZZZDVNGSRB-SNVBAGLBSA-N 0 3 247.302 0.940 20 0 BCADHN COC(=O)/C=C(\C)CN1CCC[C@H]1CO ZINC000929522444 646172047 /nfs/dbraw/zinc/17/20/47/646172047.db2.gz WKCBGKVOOVQKEX-ZKXNXJMVSA-N 0 3 213.277 0.562 20 0 BCADHN OC[C@H](O)CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000929529151 646173342 /nfs/dbraw/zinc/17/33/42/646173342.db2.gz IFXKIBMSHTYXPF-DGCLKSJQSA-N 0 3 239.290 0.968 20 0 BCADHN OC[C@H](O)CN1CC[C@H](c2cccc(F)c2)C1 ZINC000929529152 646173979 /nfs/dbraw/zinc/17/39/79/646173979.db2.gz IFXKIBMSHTYXPF-WCQYABFASA-N 0 3 239.290 0.968 20 0 BCADHN OC[C@H](O)CN1CC[C@@H](c2ccccc2F)C1 ZINC000929598477 646191518 /nfs/dbraw/zinc/19/15/18/646191518.db2.gz OGCKTASKDZHXPC-GHMZBOCLSA-N 0 3 239.290 0.968 20 0 BCADHN COC(=O)/C=C(\C)CN(C)[C@H]1CCOC1 ZINC000929599776 646192157 /nfs/dbraw/zinc/19/21/57/646192157.db2.gz GVTAYNNZIUDOST-ZKXNXJMVSA-N 0 3 213.277 0.826 20 0 BCADHN C[C@H](N[C@@H](C)[C@H]1CCOC1)c1cnn(C)n1 ZINC000925146020 646192630 /nfs/dbraw/zinc/19/26/30/646192630.db2.gz CLUKXQZLPMKOJW-GUBZILKMSA-N 0 3 224.308 0.891 20 0 BCADHN C[C@@H](N[C@@H](C)c1cnn(C)n1)[C@@H]1CCOC1 ZINC000925146021 646193756 /nfs/dbraw/zinc/19/37/56/646193756.db2.gz CLUKXQZLPMKOJW-KXUCPTDWSA-N 0 3 224.308 0.891 20 0 BCADHN C[C@H](O)[C@@H](O)CN[C@](C)(CO)c1ccccc1 ZINC000929603886 646195063 /nfs/dbraw/zinc/19/50/63/646195063.db2.gz RAWHHDHHBLULKL-WCFLWFBJSA-N 0 3 239.315 0.225 20 0 BCADHN C[C@@H](NCCN1CCC[C@@H]1C)c1cnn(C)n1 ZINC000925175651 646199086 /nfs/dbraw/zinc/19/90/86/646199086.db2.gz GOHAXOUGXKEBEL-WDEREUQCSA-N 0 3 237.351 0.950 20 0 BCADHN CN(CCO[C@H]1CCOC1)CCn1cccn1 ZINC000929621203 646208065 /nfs/dbraw/zinc/20/80/65/646208065.db2.gz KYNKCSGCYIPRCZ-LBPRGKRZSA-N 0 3 239.319 0.620 20 0 BCADHN COC[C@@H]1CCCN([C@H]2CCN(OC)C2=O)C1 ZINC000929635789 646213906 /nfs/dbraw/zinc/21/39/06/646213906.db2.gz PCQTXAWZDAXJLG-MNOVXSKESA-N 0 3 242.319 0.507 20 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DIYJKIJCSAMXJO-QMMMGPOBSA-N 0 3 212.297 0.312 20 0 BCADHN C[C@H](C[C@@H]1CCC(=O)N1)N[C@H]1CCn2ccnc21 ZINC000926498355 646662243 /nfs/dbraw/zinc/66/22/43/646662243.db2.gz DVAZVCFEDDLVHI-VWYCJHECSA-N 0 3 248.330 0.975 20 0 BCADHN C[C@@H](NCC[C@H](C)CCO)c1cnn(C)n1 ZINC000926500735 646663567 /nfs/dbraw/zinc/66/35/67/646663567.db2.gz VJYHOXCVBUPZFW-VHSXEESVSA-N 0 3 226.324 0.874 20 0 BCADHN C[C@@H](CCO)CCN[C@@H](C)c1cnn(C)n1 ZINC000926500737 646664640 /nfs/dbraw/zinc/66/46/40/646664640.db2.gz VJYHOXCVBUPZFW-ZJUUUORDSA-N 0 3 226.324 0.874 20 0 BCADHN C[C@@H]1C[C@H](N2CC[C@H](O)[C@H](F)C2)CCO1 ZINC000934565255 711593852 /nfs/dbraw/zinc/59/38/52/711593852.db2.gz KYRJVWUOYTZMGF-DBIOUOCHSA-N 0 3 217.284 0.959 20 0 BCADHN Cn1cc(CN[C@H](CCO)C2CCCC2)nn1 ZINC000725085160 711650327 /nfs/dbraw/zinc/65/03/27/711650327.db2.gz HXJXZVPAVIWTCP-GFCCVEGCSA-N 0 3 238.335 0.846 20 0 BCADHN C[C@@H](O)CN1CCC[C@H]1C1OCCO1 ZINC000725615500 711666900 /nfs/dbraw/zinc/66/69/00/711666900.db2.gz YIBRIMFPSZTQKN-BDAKNGLRSA-N 0 3 201.266 0.205 20 0 BCADHN C[C@@H](O)CN1CCC[C@@H]1C1OCCO1 ZINC000725615503 711667020 /nfs/dbraw/zinc/66/70/20/711667020.db2.gz YIBRIMFPSZTQKN-RKDXNWHRSA-N 0 3 201.266 0.205 20 0 BCADHN C[C@@H](O)CN1CCCC[C@H]1C1OCCO1 ZINC000725662913 711668936 /nfs/dbraw/zinc/66/89/36/711668936.db2.gz MWFDSVIJHFCUKK-ZJUUUORDSA-N 0 3 215.293 0.595 20 0 BCADHN CCOC(=O)/C=C/CN(C)[C@@H](CC)CO ZINC000382244795 711669907 /nfs/dbraw/zinc/66/99/07/711669907.db2.gz HFMZGNSRMSEEJE-FGEFZZPRSA-N 0 3 215.293 0.808 20 0 BCADHN N[C@H](CC1CC1)C(=O)N[C@@H]1CCCOCC1 ZINC000393743654 711677034 /nfs/dbraw/zinc/67/70/34/711677034.db2.gz HFJXKVCNZCLSSB-GHMZBOCLSA-N 0 3 226.320 0.799 20 0 BCADHN CCS(=O)(=O)CCN[C@H](CO)C(C)(C)C ZINC000393984207 711681330 /nfs/dbraw/zinc/68/13/30/711681330.db2.gz AOUVHORABLFMJE-SECBINFHSA-N 0 3 237.365 0.418 20 0 BCADHN CCc1cc(C(=O)NOCCN(C)C)n(C)n1 ZINC000379049879 711692475 /nfs/dbraw/zinc/69/24/75/711692475.db2.gz IVHDLUZFNJBOEG-UHFFFAOYSA-N 0 3 240.307 0.206 20 0 BCADHN CC[C@H](C(=O)NC[C@H](O)CC(C)C)N(C)C ZINC000305100153 711785915 /nfs/dbraw/zinc/78/59/15/711785915.db2.gz AWCKVSIJNPQVCZ-GHMZBOCLSA-N 0 3 230.352 0.850 20 0 BCADHN CC[C@H](C(=O)NCC[C@H](C)NC(C)=O)N(C)C ZINC001077150037 711810704 /nfs/dbraw/zinc/81/07/04/711810704.db2.gz HQDVKISKNYDBGN-GXSJLCMTSA-N 0 3 243.351 0.358 20 0 BCADHN COC[C@@H](CNCc1ncnn1C)C(C)C ZINC000721725441 711829879 /nfs/dbraw/zinc/82/98/79/711829879.db2.gz LOMPPAXLYMRGQE-SNVBAGLBSA-N 0 3 226.324 0.823 20 0 BCADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001077518181 711846571 /nfs/dbraw/zinc/84/65/71/711846571.db2.gz PYRAXGFVIZWSRB-DDHJBXDOSA-N 0 3 240.347 0.460 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1CC12CCC2 ZINC000721269148 711863575 /nfs/dbraw/zinc/86/35/75/711863575.db2.gz HCUVYNAZEWINGJ-VIFPVBQESA-N 0 3 217.334 0.953 20 0 BCADHN CCN1CC(CNC(=O)c2cc(C)on2)C1 ZINC001031536464 711877410 /nfs/dbraw/zinc/87/74/10/711877410.db2.gz SSZKPUVZDXFQPY-UHFFFAOYSA-N 0 3 223.276 0.665 20 0 BCADHN CO[C@H]1C[C@@H](CN2C[C@H](CO)OC(C)(C)C2)C1 ZINC000722023449 711899419 /nfs/dbraw/zinc/89/94/19/711899419.db2.gz IYIVFFCAMLBACE-GRYCIOLGSA-N 0 3 243.347 0.883 20 0 BCADHN CCN1CC(CNC(=O)[C@H]2C[C@]23CCOC3)C1 ZINC001032113350 711903057 /nfs/dbraw/zinc/90/30/57/711903057.db2.gz CCDMLHZIWUOZPX-YPMHNXCESA-N 0 3 238.331 0.481 20 0 BCADHN COC[C@@H](C)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001032838559 711958445 /nfs/dbraw/zinc/95/84/45/711958445.db2.gz SEYDIMHDQCDYCL-DDHJBXDOSA-N 0 3 240.347 0.868 20 0 BCADHN COCCN1CC[C@@H](N(C)C(C)=O)C1 ZINC001032850963 711962733 /nfs/dbraw/zinc/96/27/33/711962733.db2.gz GKAFENFINQRTKC-SNVBAGLBSA-N 0 3 200.282 0.185 20 0 BCADHN COC[C@H](C)N1CC[C@@H](N(C)C(=O)C2CC2)C1 ZINC001032853361 711963673 /nfs/dbraw/zinc/96/36/73/711963673.db2.gz MHVCBAMAYGRORZ-CMPLNLGQSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)C2CCC2)C1 ZINC001032852813 711964331 /nfs/dbraw/zinc/96/43/31/711964331.db2.gz MWKRXKBIIXIZJS-CMPLNLGQSA-N 0 3 240.347 0.700 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001032930826 711968949 /nfs/dbraw/zinc/96/89/49/711968949.db2.gz HQICBVOFYLIIEY-VIFPVBQESA-N 0 3 222.292 0.576 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC001032938832 711969091 /nfs/dbraw/zinc/96/90/91/711969091.db2.gz JEZYNHBQIRJUER-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN COc1cncc(CNCCC(=O)N(C)C)c1 ZINC000700013733 711982727 /nfs/dbraw/zinc/98/27/27/711982727.db2.gz VURHFHKLZKVWBF-UHFFFAOYSA-N 0 3 237.303 0.658 20 0 BCADHN C[C@@H](CNS(=O)(=O)C1CNC1)CC(F)F ZINC000700101518 711986104 /nfs/dbraw/zinc/98/61/04/711986104.db2.gz TUNUZWXZDZCXAK-ZCFIWIBFSA-N 0 3 242.291 0.169 20 0 BCADHN CN(C(=O)C(C)(C)C)[C@@H]1CCN(CCCO)C1 ZINC001033609516 712008479 /nfs/dbraw/zinc/00/84/79/712008479.db2.gz LEEZLBYHOFBXEW-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CN(C)C)CC1 ZINC000702342994 712045964 /nfs/dbraw/zinc/04/59/64/712045964.db2.gz SLTRVZWMPNONMK-UTUOFQBUSA-N 0 3 241.379 0.960 20 0 BCADHN C[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702388187 712050150 /nfs/dbraw/zinc/05/01/50/712050150.db2.gz XXTFZZZPLCQOAO-UWVGGRQHSA-N 0 3 213.325 0.134 20 0 BCADHN CCC1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000702331132 712048112 /nfs/dbraw/zinc/04/81/12/712048112.db2.gz XIHBVDWLHZWUAY-NSHDSACASA-N 0 3 227.352 0.524 20 0 BCADHN CCN(C(=O)[C@@H](N)CN(C)C)C(C)C ZINC000702370113 712048609 /nfs/dbraw/zinc/04/86/09/712048609.db2.gz LWAIICYQRUWPOH-VIFPVBQESA-N 0 3 201.314 0.132 20 0 BCADHN CCN(CC1CC1)C(=O)[C@@H](N)CN(C)C ZINC000702382579 712049143 /nfs/dbraw/zinc/04/91/43/712049143.db2.gz CEZCXZRGFQJJHN-JTQLQIEISA-N 0 3 213.325 0.134 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000702422541 712052180 /nfs/dbraw/zinc/05/21/80/712052180.db2.gz DPLMZTIZGRTLHV-RHYQMDGZSA-N 0 3 239.363 0.428 20 0 BCADHN CC1CC(CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000702424501 712052569 /nfs/dbraw/zinc/05/25/69/712052569.db2.gz LTKFOCSXHNXMET-RTBKNWGFSA-N 0 3 213.325 0.038 20 0 BCADHN CC1(C(=O)N[C@@H]2CCCCN(CCO)C2)CC1 ZINC001034226587 712053009 /nfs/dbraw/zinc/05/30/09/712053009.db2.gz RIECIVKJPVONPI-LLVKDONJSA-N 0 3 240.347 0.750 20 0 BCADHN CC(C)CCN(C)C(=O)[C@@H](N)CN(C)C ZINC000702402027 712050598 /nfs/dbraw/zinc/05/05/98/712050598.db2.gz QARSNQLBWVXYJZ-JTQLQIEISA-N 0 3 215.341 0.380 20 0 BCADHN CC(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001034833836 712095815 /nfs/dbraw/zinc/09/58/15/712095815.db2.gz XUBIRRBUPHTVBD-GFCCVEGCSA-N 0 3 236.319 0.521 20 0 BCADHN COC[C@H](C)OC(=O)N(C)CCN(C)C ZINC000704423083 712107231 /nfs/dbraw/zinc/10/72/31/712107231.db2.gz APKPQRZXFMTYBT-VIFPVBQESA-N 0 3 218.297 0.651 20 0 BCADHN N[C@H](CC1CC1)C(=O)N1CCOCC12CCC2 ZINC000707271685 712167669 /nfs/dbraw/zinc/16/76/69/712167669.db2.gz RIJYQHPBDIZCHP-LLVKDONJSA-N 0 3 238.331 0.895 20 0 BCADHN CCC1(O)CCN(CC(OC)OC)CC1 ZINC000707225189 712167063 /nfs/dbraw/zinc/16/70/63/712167063.db2.gz VAOOJJUENUPZMS-UHFFFAOYSA-N 0 3 217.309 0.842 20 0 BCADHN CC(=O)N1CC[C@H]2[C@H](CCN2CCF)C1 ZINC001036610748 712224273 /nfs/dbraw/zinc/22/42/73/712224273.db2.gz SXIVARJDRWJIRL-MNOVXSKESA-N 0 3 214.284 0.899 20 0 BCADHN Cc1cc(NC(=O)[C@@H](N)CN(C)C)cs1 ZINC000710729272 712255552 /nfs/dbraw/zinc/25/55/52/712255552.db2.gz OZRLGFVFFWUQEV-VIFPVBQESA-N 0 3 227.333 0.884 20 0 BCADHN C[C@@H]1COC[C@H]1NCc1cnc(N(C)C)n1C ZINC000710881940 712260813 /nfs/dbraw/zinc/26/08/13/712260813.db2.gz VRSSVYLHFKVMLC-MWLCHTKSSA-N 0 3 238.335 0.611 20 0 BCADHN CO[C@@]1(C)C[C@H]1N[C@@H]1CCC1(OC)OC ZINC000710961232 712268513 /nfs/dbraw/zinc/26/85/13/712268513.db2.gz PJCSNTALMOXAHQ-BBBLOLIVSA-N 0 3 215.293 0.905 20 0 BCADHN COC1(OC)CC[C@@H]1NCCn1cccn1 ZINC000711031372 712275691 /nfs/dbraw/zinc/27/56/91/712275691.db2.gz WBFIPKCZCOWQSW-JTQLQIEISA-N 0 3 225.292 0.624 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711858651 712335486 /nfs/dbraw/zinc/33/54/86/712335486.db2.gz RVVXWGILAFKZLZ-MIMYLULJSA-N 0 3 226.320 0.655 20 0 BCADHN Cn1ncc(CN[C@H]2CC[C@H](CO)CC2)n1 ZINC000378856401 712363158 /nfs/dbraw/zinc/36/31/58/712363158.db2.gz KQQLHIJFLVNNJB-MGCOHNPYSA-N 0 3 224.308 0.456 20 0 BCADHN C[C@H](NCc1cnnn1C)[C@]1(C)CCCO1 ZINC000378866762 712365507 /nfs/dbraw/zinc/36/55/07/712365507.db2.gz CLNHZRAPJXYXTO-ONGXEEELSA-N 0 3 224.308 0.862 20 0 BCADHN CC(=O)NCCCNCc1cnn(C)c1Cl ZINC000378848523 712366514 /nfs/dbraw/zinc/36/65/14/712366514.db2.gz BYSMJWZDIHYRCT-UHFFFAOYSA-N 0 3 244.726 0.689 20 0 BCADHN Cc1occc1C(=O)NOCCN(C)C ZINC000379082286 712369727 /nfs/dbraw/zinc/36/97/27/712369727.db2.gz HFQYLUCJWBAFNO-UHFFFAOYSA-N 0 3 212.249 0.811 20 0 BCADHN CSCCNC(=O)[C@H](N)CC1CC1 ZINC000379366452 712377472 /nfs/dbraw/zinc/37/74/72/712377472.db2.gz KRXKRNWIDQCKOU-MRVPVSSYSA-N 0 3 202.323 0.593 20 0 BCADHN CCS(=O)(=O)N1CCNCCC1(C)C ZINC000712583396 712434144 /nfs/dbraw/zinc/43/41/44/712434144.db2.gz JQHGROQNYXUIBB-UHFFFAOYSA-N 0 3 220.338 0.410 20 0 BCADHN CCCn1cc(CNC[C@@H]2CCOC2)nn1 ZINC000714476067 712491032 /nfs/dbraw/zinc/49/10/32/712491032.db2.gz IFXDPPVMQHUPGM-JTQLQIEISA-N 0 3 224.308 0.814 20 0 BCADHN COCCOCCNCc1[nH]nc(C)c1C ZINC000716452985 712562045 /nfs/dbraw/zinc/56/20/45/712562045.db2.gz YVXQXZSNKUFDPG-UHFFFAOYSA-N 0 3 227.308 0.779 20 0 BCADHN COCCO[N-]C(=O)CC1CC[NH+](C)CC1 ZINC000813471983 712588131 /nfs/dbraw/zinc/58/81/31/712588131.db2.gz PGLCSGWYRPZBGN-UHFFFAOYSA-N 0 3 230.308 0.413 20 0 BCADHN Cn1cnc(CNC2(CO)CCCC2)c1 ZINC000379817250 712611678 /nfs/dbraw/zinc/61/16/78/712611678.db2.gz RXZKRQKTTFSFKX-UHFFFAOYSA-N 0 3 209.293 0.815 20 0 BCADHN COc1ncccc1CN[C@H](C)CCO ZINC000132945604 712639549 /nfs/dbraw/zinc/63/95/49/712639549.db2.gz SIYQOKNYJMNNQP-SECBINFHSA-N 0 3 210.277 0.951 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1ccsc1 ZINC000717393084 712653591 /nfs/dbraw/zinc/65/35/91/712653591.db2.gz HBFNOPMQIVAKJJ-APPZFPTMSA-N 0 3 201.291 0.579 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000717620439 712662824 /nfs/dbraw/zinc/66/28/24/712662824.db2.gz WFFKFJIQZDNKLL-SFYZADRCSA-N 0 3 200.282 0.265 20 0 BCADHN C[C@@H]1CN(C(=O)COC2CC2)[C@H](C)CN1 ZINC000717664725 712663651 /nfs/dbraw/zinc/66/36/51/712663651.db2.gz JHJOUTTYGNDFRY-RKDXNWHRSA-N 0 3 212.293 0.374 20 0 BCADHN C[C@H]1CO[C@@H](C(=O)N2CCNC(C)(C)C2)C1 ZINC000718556689 712769694 /nfs/dbraw/zinc/76/96/94/712769694.db2.gz CGTUNXLVJNGXKQ-NXEZZACHSA-N 0 3 226.320 0.622 20 0 BCADHN CN(C)C(=O)CNC[C@H](O)c1ccc(F)cc1 ZINC000037886581 712780844 /nfs/dbraw/zinc/78/08/44/712780844.db2.gz PZBKRRHKQURMRO-NSHDSACASA-N 0 3 240.278 0.537 20 0 BCADHN CCCN(CC)C(=O)c1c(CN)cnn1C ZINC000719260451 712802038 /nfs/dbraw/zinc/80/20/38/712802038.db2.gz CNZCMMLGNYZLAB-UHFFFAOYSA-N 0 3 224.308 0.751 20 0 BCADHN C[C@@H]1CCC[C@H]1NC(=O)c1c(CN)cnn1C ZINC000719244323 712801439 /nfs/dbraw/zinc/80/14/39/712801439.db2.gz LHQJVHNILUGBTF-PSASIEDQSA-N 0 3 236.319 0.797 20 0 BCADHN Cc1nc(N)nc(N[C@H]2CCN(C)[C@H]2C)n1 ZINC000719350365 712805218 /nfs/dbraw/zinc/80/52/18/712805218.db2.gz SPLLUDFEYRMPBM-XPUUQOCRSA-N 0 3 222.296 0.267 20 0 BCADHN CO[C@H](C)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000719433299 712807578 /nfs/dbraw/zinc/80/75/78/712807578.db2.gz CTTNSWBVZKXEEW-HLTSFMKQSA-N 0 3 200.282 0.230 20 0 BCADHN C[C@@H]1[C@H](NC(=S)NC2CC2)CCN1C ZINC000719365908 712805951 /nfs/dbraw/zinc/80/59/51/712805951.db2.gz LTYINXQRIQLZFV-VXNVDRBHSA-N 0 3 213.350 0.706 20 0 BCADHN C[C@H]1[C@@H](NC(=S)NC2CC2)CCN1C ZINC000719365906 712806161 /nfs/dbraw/zinc/80/61/61/712806161.db2.gz LTYINXQRIQLZFV-CBAPKCEASA-N 0 3 213.350 0.706 20 0 BCADHN CC(C)NC(=O)CN1CCC[C@@H](C(C)(C)O)C1 ZINC000719642244 712819171 /nfs/dbraw/zinc/81/91/71/712819171.db2.gz MXYVLTYSUCNRHZ-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN CN(C)C(=O)CN1CCC[C@H](C(C)(C)O)C1 ZINC000719700395 712822072 /nfs/dbraw/zinc/82/20/72/712822072.db2.gz HJNITEBZLVRHLV-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN COC(=O)CCN1CCO[C@H](C)CC1 ZINC000720425930 712841780 /nfs/dbraw/zinc/84/17/80/712841780.db2.gz NAUDXZZGXGMPCD-SECBINFHSA-N 0 3 201.266 0.660 20 0 BCADHN C[C@@H](NC[C@H]1C[C@H](O)C1)c1cn(C)cn1 ZINC000720919262 712878177 /nfs/dbraw/zinc/87/81/77/712878177.db2.gz QJVQOOJQKWYHMX-OPRDCNLKSA-N 0 3 209.293 0.842 20 0 BCADHN CC(C)(C)C(=O)C(=O)N1CC[C@@H](NCCF)C1 ZINC000968011787 712897486 /nfs/dbraw/zinc/89/74/86/712897486.db2.gz ORDUIEHISDKHGN-SECBINFHSA-N 0 3 244.310 0.762 20 0 BCADHN CCNC(=O)CNC[C@H](OC)[C@H](C)CC ZINC000381271083 710614589 /nfs/dbraw/zinc/61/45/89/710614589.db2.gz HUMLKCYDCHQYJK-ZJUUUORDSA-N 0 3 216.325 0.773 20 0 BCADHN OC[C@H](O)CNC1(c2cccc(F)c2)CC1 ZINC000381495776 710646429 /nfs/dbraw/zinc/64/64/29/710646429.db2.gz MGRXPJUXPNJDJM-LLVKDONJSA-N 0 3 225.263 0.758 20 0 BCADHN NC(C(=O)NCc1ccon1)C(F)(F)F ZINC000381500062 710647522 /nfs/dbraw/zinc/64/75/22/710647522.db2.gz CNTAZGPSJUVKGV-YFKPBYRVSA-N 0 3 223.154 0.180 20 0 BCADHN COc1ccc(CN[C@H](CO)C2CC2)nn1 ZINC000381499912 710648120 /nfs/dbraw/zinc/64/81/20/710648120.db2.gz OGXJJFFYNAWASO-SNVBAGLBSA-N 0 3 223.276 0.346 20 0 BCADHN CC[C@]1(O)CCN(c2cc(C)nc(N)n2)C1 ZINC000381552486 710653793 /nfs/dbraw/zinc/65/37/93/710653793.db2.gz NBYLXOSHEVZDMS-NSHDSACASA-N 0 3 222.292 0.549 20 0 BCADHN C/C=C\C[C@H](CO)Nc1cc(C)nc(N)n1 ZINC000381568634 710655968 /nfs/dbraw/zinc/65/59/68/710655968.db2.gz UORFUEOSMYBNFQ-ZBJFTSOASA-N 0 3 222.292 0.358 20 0 BCADHN C/C=C/C[C@@H](CO)Nc1cc(C)nc(N)n1 ZINC000381568630 710657008 /nfs/dbraw/zinc/65/70/08/710657008.db2.gz UORFUEOSMYBNFQ-NWALNABHSA-N 0 3 222.292 0.358 20 0 BCADHN CC(C)CN1CC[C@H]1CNC(=O)c1ncccn1 ZINC001038828567 710709089 /nfs/dbraw/zinc/70/90/89/710709089.db2.gz BJFCNPWZUHTMQN-NSHDSACASA-N 0 3 248.330 0.937 20 0 BCADHN CC(C)N1CC[C@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC001038980740 710717943 /nfs/dbraw/zinc/71/79/43/710717943.db2.gz BTIFUDOHLNZSKZ-NSHDSACASA-N 0 3 249.314 1.000 20 0 BCADHN C[C@@H]1OCC[C@H]1NCc1cnc2n1CCOC2 ZINC000722827442 710720855 /nfs/dbraw/zinc/72/08/55/710720855.db2.gz PHUBUVCLVRPFKK-GXSJLCMTSA-N 0 3 237.303 0.680 20 0 BCADHN C[C@H](NCCO[C@H]1CCOC1)c1cnn(C)c1 ZINC000724927345 710750896 /nfs/dbraw/zinc/75/08/96/710750896.db2.gz YISWSXZJKYERHF-JQWIXIFHSA-N 0 3 239.319 0.876 20 0 BCADHN C[C@@H]1OCCN(C(=O)[C@@H](N)CC2CC2)[C@H]1C ZINC000380508125 712901379 /nfs/dbraw/zinc/90/13/79/712901379.db2.gz KDYRFUGAGCBJKD-QXEWZRGKSA-N 0 3 226.320 0.750 20 0 BCADHN COCC[C@@H](N)C(=O)N(C)C(C)(C)C ZINC000381924467 710758196 /nfs/dbraw/zinc/75/81/96/710758196.db2.gz MZYDPPCAZANZAJ-MRVPVSSYSA-N 0 3 202.298 0.607 20 0 BCADHN COCC[C@H](N)C(=O)N(C)C(C)(C)C ZINC000381924468 710758600 /nfs/dbraw/zinc/75/86/00/710758600.db2.gz MZYDPPCAZANZAJ-QMMMGPOBSA-N 0 3 202.298 0.607 20 0 BCADHN C[C@@H]1COCC[C@H]1CNCc1cnn(C)n1 ZINC000382004839 710765420 /nfs/dbraw/zinc/76/54/20/710765420.db2.gz AQWJJBNSCGDXTE-ZJUUUORDSA-N 0 3 224.308 0.577 20 0 BCADHN CN(C)CCONC(=O)c1cccs1 ZINC000382056151 710770403 /nfs/dbraw/zinc/77/04/03/710770403.db2.gz BNBLIKPDUKLZER-UHFFFAOYSA-N 0 3 214.290 0.971 20 0 BCADHN O=C(C(F)F)N1CC[C@@H]2CCN(CCO)[C@H]2C1 ZINC001041875314 710772382 /nfs/dbraw/zinc/77/23/82/710772382.db2.gz CZTBAZFSXXOSOV-IUCAKERBSA-N 0 3 248.273 0.167 20 0 BCADHN CN(C)CCONC(=O)c1cncc(F)c1 ZINC000382085544 710774644 /nfs/dbraw/zinc/77/46/44/710774644.db2.gz JUXHMCIPOCZMFO-UHFFFAOYSA-N 0 3 227.239 0.444 20 0 BCADHN CSC[C@H](C)C(=O)NOCCN(C)C ZINC000382085499 710774736 /nfs/dbraw/zinc/77/47/36/710774736.db2.gz JUMVHUFCMHXCJA-QMMMGPOBSA-N 0 3 220.338 0.595 20 0 BCADHN CN(C)CCONC(=O)c1ccccc1 ZINC000382102410 710776188 /nfs/dbraw/zinc/77/61/88/710776188.db2.gz ORDKIVAQRCWBGS-UHFFFAOYSA-N 0 3 208.261 0.910 20 0 BCADHN CN(C(=O)[C@@H]1CCCN1C)C1CN(CCF)C1 ZINC001042545797 710791023 /nfs/dbraw/zinc/79/10/23/710791023.db2.gz IWNGJQSIMINALU-NSHDSACASA-N 0 3 243.326 0.193 20 0 BCADHN CN(C(=O)Cc1ccn[nH]1)C1CN(CC2CC2)C1 ZINC001042565407 710793189 /nfs/dbraw/zinc/79/31/89/710793189.db2.gz WUBVLPFEFLJZOP-UHFFFAOYSA-N 0 3 248.330 0.505 20 0 BCADHN C[C@@]1(NC(=O)c2cccnc2)CCN(CCO)C1 ZINC001046098963 710847591 /nfs/dbraw/zinc/84/75/91/710847591.db2.gz BZWWKYQWNSTREB-CYBMUJFWSA-N 0 3 249.314 0.268 20 0 BCADHN C[C@@]1(NC(=O)c2ccncc2)CCN(CCO)C1 ZINC001046107166 710850707 /nfs/dbraw/zinc/85/07/07/710850707.db2.gz YPZUQLRZGPSSQJ-CYBMUJFWSA-N 0 3 249.314 0.268 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2nccnc2N)C1 ZINC001046204068 710855388 /nfs/dbraw/zinc/85/53/88/710855388.db2.gz HWTRCCMKZNNSIW-LBPRGKRZSA-N 0 3 249.318 0.273 20 0 BCADHN CC1(C)C[C@H]1C(=O)N[C@]1(C)CCN(CCO)C1 ZINC001046251034 710856773 /nfs/dbraw/zinc/85/67/73/710856773.db2.gz IWXBSEKDIJTNTB-GXFFZTMASA-N 0 3 240.347 0.605 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2nccc(C)n2)C1 ZINC001046281314 710858061 /nfs/dbraw/zinc/85/80/61/710858061.db2.gz SPPMEQHWLGFHHM-CYBMUJFWSA-N 0 3 248.330 0.999 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cnnn2C)C1 ZINC001046288003 710859103 /nfs/dbraw/zinc/85/91/03/710859103.db2.gz MGLJICIKWLOMQW-NSHDSACASA-N 0 3 237.307 0.029 20 0 BCADHN CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CCF)C2 ZINC001047005105 710867974 /nfs/dbraw/zinc/86/79/74/710867974.db2.gz XKNSGZYHSIJNQW-DCAQKATOSA-N 0 3 214.284 0.945 20 0 BCADHN CCCCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047279742 710869560 /nfs/dbraw/zinc/86/95/60/710869560.db2.gz WQPYOFDSLLINCR-RYUDHWBXSA-N 0 3 240.347 0.700 20 0 BCADHN COc1nccc(CN[C@@H]2CCN(C)C2)n1 ZINC000395158335 710896365 /nfs/dbraw/zinc/89/63/65/710896365.db2.gz RQDUJLRACGCADG-SNVBAGLBSA-N 0 3 222.292 0.279 20 0 BCADHN O=C(C(F)F)N1CCC[C@@H]2[C@H]1CCN2CCO ZINC001049269387 710898440 /nfs/dbraw/zinc/89/84/40/710898440.db2.gz UDSDZPBMMAGZFQ-RKDXNWHRSA-N 0 3 248.273 0.309 20 0 BCADHN CCC[C@@H](N)c1cn(Cc2cnsn2)nn1 ZINC000399748771 710912459 /nfs/dbraw/zinc/91/24/59/710912459.db2.gz FMAHJQPQPARSSS-MRVPVSSYSA-N 0 3 238.320 0.978 20 0 BCADHN COCC(=O)N1C[C@H](C)[C@H](NCCF)C1 ZINC001054302105 710925405 /nfs/dbraw/zinc/92/54/05/710925405.db2.gz SVWZXJYJZDRSCG-DTWKUNHWSA-N 0 3 218.272 0.039 20 0 BCADHN CC(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(C)n2)C1 ZINC001054303935 710926907 /nfs/dbraw/zinc/92/69/07/710926907.db2.gz UDCUAAUSFDWLIE-XCBNKYQSSA-N 0 3 237.307 0.070 20 0 BCADHN C[C@H]1CN(C(=O)c2ccon2)C[C@@H]1NCCF ZINC001054447091 710934363 /nfs/dbraw/zinc/93/43/63/710934363.db2.gz WKPXFLABWIOIQL-WPRPVWTQSA-N 0 3 241.266 0.694 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@H](NC(C)=O)CC1 ZINC001052130852 710959821 /nfs/dbraw/zinc/95/98/21/710959821.db2.gz DSWXAZCTSLDFBE-MNOVXSKESA-N 0 3 241.335 0.241 20 0 BCADHN CC1(C)CN(c2ccnc(CO)c2)C[C@@H]1O ZINC000388072686 711051515 /nfs/dbraw/zinc/05/15/15/711051515.db2.gz QVLYXMQAUAGIDZ-NSHDSACASA-N 0 3 222.288 0.781 20 0 BCADHN Cc1cc(NC[C@@H]2CCO[C@H](C)C2)nc(N)n1 ZINC000389547662 711079573 /nfs/dbraw/zinc/07/95/73/711079573.db2.gz MXVXIECHCGMGIG-NXEZZACHSA-N 0 3 236.319 0.846 20 0 BCADHN Cc1cc(NC[C@@H]2CCO[C@@H](C)C2)nc(N)n1 ZINC000389547664 711079914 /nfs/dbraw/zinc/07/99/14/711079914.db2.gz MXVXIECHCGMGIG-VHSXEESVSA-N 0 3 236.319 0.846 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC000390001797 711103693 /nfs/dbraw/zinc/10/36/93/711103693.db2.gz QCARITLMVLYJGS-SECBINFHSA-N 0 3 235.287 0.611 20 0 BCADHN CCN1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC000390009126 711104212 /nfs/dbraw/zinc/10/42/12/711104212.db2.gz SFJWOYFPSQNURQ-QMMMGPOBSA-N 0 3 236.275 0.006 20 0 BCADHN CCN1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC000390009118 711104487 /nfs/dbraw/zinc/10/44/87/711104487.db2.gz SFJWOYFPSQNURQ-MRVPVSSYSA-N 0 3 236.275 0.006 20 0 BCADHN CN(C)C(=O)CCCNC(=O)[C@H](N)CC1CC1 ZINC000390394224 711114791 /nfs/dbraw/zinc/11/47/91/711114791.db2.gz RAIZVWXFITXENA-SNVBAGLBSA-N 0 3 241.335 0.098 20 0 BCADHN COC(=O)[C@H]1[C@@H](CNC2(CO)CC2)C1(F)F ZINC000390448172 711118044 /nfs/dbraw/zinc/11/80/44/711118044.db2.gz YLJYEXJSEHRYER-RNFRBKRXSA-N 0 3 235.230 0.155 20 0 BCADHN OCC[C@@H](NC[C@@H](O)CO)c1ccccc1 ZINC000390747679 711132345 /nfs/dbraw/zinc/13/23/45/711132345.db2.gz BCDNGSPVMOZNFM-VXGBXAGGSA-N 0 3 225.288 0.053 20 0 BCADHN Cn1cc(CNCc2cc[nH]c(=O)c2)cn1 ZINC000392780470 711152370 /nfs/dbraw/zinc/15/23/70/711152370.db2.gz DXOHWPMNFDFZGC-UHFFFAOYSA-N 0 3 218.260 0.811 20 0 BCADHN COC(=O)/C(C)=C\CN1CCC[C@H](O)CC1 ZINC000393475128 711159853 /nfs/dbraw/zinc/15/98/53/711159853.db2.gz HPKFNCGOZDKPAH-VQNWOSHQSA-N 0 3 227.304 0.953 20 0 BCADHN C[C@H]([NH3+])CC(=O)[N-]O[C@H]1CCCCO1 ZINC000393729566 711171808 /nfs/dbraw/zinc/17/18/08/711171808.db2.gz FSSTYTKVCPRHCJ-CBAPKCEASA-N 0 3 202.254 0.298 20 0 BCADHN C[C@H]1CC[C@H](NC(=O)C2CC2)CN1CCCO ZINC001071296543 711185849 /nfs/dbraw/zinc/18/58/49/711185849.db2.gz MBTPFZMPOOTMIP-JQWIXIFHSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H]1CC[C@@H](NC(=O)C2CC2)CN1CCCO ZINC001071296542 711185961 /nfs/dbraw/zinc/18/59/61/711185961.db2.gz MBTPFZMPOOTMIP-CMPLNLGQSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1CC[C@H](NC(=O)C2CC2)CN1CCO ZINC001071297812 711186285 /nfs/dbraw/zinc/18/62/85/711186285.db2.gz XFDCMAKSIPWJGZ-KOLCDFICSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@H]1CC[C@H](NC(=O)CC2CC2)CN1CCO ZINC001071309494 711187744 /nfs/dbraw/zinc/18/77/44/711187744.db2.gz BBUAUEKRVGRVEL-JQWIXIFHSA-N 0 3 240.347 0.748 20 0 BCADHN COCC[C@@H](N)C(=O)NC[C@H](OC)C(C)C ZINC000394459417 711192188 /nfs/dbraw/zinc/19/21/88/711192188.db2.gz KOMBLLRWSLMKMX-ZJUUUORDSA-N 0 3 232.324 0.137 20 0 BCADHN CO[C@@H](CN)C(=O)NC1CC(C)(C)C1 ZINC000395301192 711206977 /nfs/dbraw/zinc/20/69/77/711206977.db2.gz RDCFSRDMYKTEPQ-QMMMGPOBSA-N 0 3 200.282 0.265 20 0 BCADHN CON(C)C(=O)CNC[C@H](O)CC1CCCC1 ZINC000397530494 711385785 /nfs/dbraw/zinc/38/57/85/711385785.db2.gz JMUPSUOKNGJISH-LLVKDONJSA-N 0 3 244.335 0.537 20 0 BCADHN Cc1cc(N[C@@H]2CS[C@H](C)C2)nc(N)n1 ZINC000398013144 711399198 /nfs/dbraw/zinc/39/91/98/711399198.db2.gz ZOWKTGDMDOVCBP-SFYZADRCSA-N 0 3 224.333 0.925 20 0 BCADHN Cc1cc(N[C@@H](C)c2csnn2)nc(N)n1 ZINC000398304012 711406173 /nfs/dbraw/zinc/40/61/73/711406173.db2.gz OGGZTAXRTNGWTK-LURJTMIESA-N 0 3 236.304 0.644 20 0 BCADHN CCOC(=O)/C=C\CN1CC[C@H](C(=O)NC)C1 ZINC000398534151 711411920 /nfs/dbraw/zinc/41/19/20/711411920.db2.gz CKLWYQKUVRRWND-LWTINBJPSA-N 0 3 240.303 0.174 20 0 BCADHN CN(CC[S@@](C)=O)[C@@H]1CCCC[C@H]1O ZINC000399065892 711417720 /nfs/dbraw/zinc/41/77/20/711417720.db2.gz GVTKMGUEJMXYKR-GPCCPHFNSA-N 0 3 219.350 0.600 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1Cc1ccc(N)nc1 ZINC000399415732 711429344 /nfs/dbraw/zinc/42/93/44/711429344.db2.gz LZLHDVGQJWVVFF-MWLCHTKSSA-N 0 3 221.304 0.839 20 0 BCADHN Cc1cc([C@@H](C)N[C@@H](C)CC(N)=O)n(C)n1 ZINC000381032572 710597013 /nfs/dbraw/zinc/59/70/13/710597013.db2.gz BZQBJBWBMIBGPH-IONNQARKSA-N 0 3 224.308 0.643 20 0 BCADHN CC[N@@H+]1CC[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001014875700 710613685 /nfs/dbraw/zinc/61/36/85/710613685.db2.gz ZLDIQXOLPACUKA-QMMMGPOBSA-N 0 3 236.275 0.006 20 0 BCADHN CC[N@H+]1CC[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001014875700 710613689 /nfs/dbraw/zinc/61/36/89/710613689.db2.gz ZLDIQXOLPACUKA-QMMMGPOBSA-N 0 3 236.275 0.006 20 0 BCADHN Cc1cc([C@H](C)NCCOCCO)n(C)n1 ZINC000381304928 710618652 /nfs/dbraw/zinc/61/86/52/710618652.db2.gz JHCBJFKFMCACAB-JTQLQIEISA-N 0 3 227.308 0.388 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2ccnnc2)C1 ZINC001046650122 710862868 /nfs/dbraw/zinc/86/28/68/710862868.db2.gz ZROQTBASKZTGSA-GFCCVEGCSA-N 0 3 234.303 0.691 20 0 BCADHN C[C@]1(NC(=O)[C@@H]2CC23CC3)CCN(CCO)C1 ZINC001046654921 710863285 /nfs/dbraw/zinc/86/32/85/710863285.db2.gz HBTIXBWGLULCHB-JQWIXIFHSA-N 0 3 238.331 0.359 20 0 BCADHN C[C@@H](C[C@H]1CCC(=O)N1)NCc1nccn1C ZINC000383284335 710979152 /nfs/dbraw/zinc/97/91/52/710979152.db2.gz LRVMKLASMFRTIB-VHSXEESVSA-N 0 3 236.319 0.567 20 0 BCADHN C[C@@H]1C[C@@H](NCc2cnn(C)n2)CN1C1CC1 ZINC000389820214 711090550 /nfs/dbraw/zinc/09/05/50/711090550.db2.gz CKHVBQGUWHTFDS-NXEZZACHSA-N 0 3 235.335 0.530 20 0 BCADHN C[C@]1(CNC(=O)[C@H](N)CC2CC2)CCOC1 ZINC000397107002 711376939 /nfs/dbraw/zinc/37/69/39/711376939.db2.gz AEZSMIGBYZSTSB-ZYHUDNBSSA-N 0 3 226.320 0.657 20 0 BCADHN COCC[C@@H](N)C(=O)NCCSC(C)(C)C ZINC000397215231 711379740 /nfs/dbraw/zinc/37/97/40/711379740.db2.gz DJFUUUIZVAZHBD-SECBINFHSA-N 0 3 248.392 0.998 20 0 BCADHN CO[C@H]1C[C@@H](NCC(=O)N(C)OC)C12CCC2 ZINC000397551148 711386211 /nfs/dbraw/zinc/38/62/11/711386211.db2.gz YPZLPJFUEDWHNC-ZJUUUORDSA-N 0 3 242.319 0.553 20 0 BCADHN CC(C)[C@@H](N)c1cn(Cc2cnsn2)nn1 ZINC000399806946 711434981 /nfs/dbraw/zinc/43/49/81/711434981.db2.gz ZFPRWYFFJBOVSW-SECBINFHSA-N 0 3 238.320 0.834 20 0 BCADHN CC[C@H]1CN(c2ccnc(CO)c2)C[C@H]1O ZINC000399988641 711437320 /nfs/dbraw/zinc/43/73/20/711437320.db2.gz OLUFADBBWHCBPN-JOYOIKCWSA-N 0 3 222.288 0.781 20 0 BCADHN CCN1CCCO[C@@H](CNC(C)=O)C1 ZINC001073506866 711440818 /nfs/dbraw/zinc/44/08/18/711440818.db2.gz YXWPTFYDSKHJJV-JTQLQIEISA-N 0 3 200.282 0.233 20 0 BCADHN CN(C[C@@H]1CCCO1)C(=O)[C@@H](N)CC1CC1 ZINC000304396416 711452483 /nfs/dbraw/zinc/45/24/83/711452483.db2.gz UZPICGOMCCAFGS-QWRGUYRKSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@H]1CCC[C@H](C)N1CCS(N)(=O)=O ZINC000077281536 711464942 /nfs/dbraw/zinc/46/49/42/711464942.db2.gz JTPCCQQMQWKWRF-IUCAKERBSA-N 0 3 220.338 0.538 20 0 BCADHN C[C@@H]1COC[C@H]1NCc1cnc2n1CCOC2 ZINC000722875952 711485417 /nfs/dbraw/zinc/48/54/17/711485417.db2.gz TXSORWKBOHVCAD-MWLCHTKSSA-N 0 3 237.303 0.538 20 0 BCADHN Cc1[nH][nH]c(=NC(=O)[C@H]2CCN(C)C2)c1C ZINC000386135237 711491737 /nfs/dbraw/zinc/49/17/37/711491737.db2.gz FYUHZBLRQSEMFK-VIFPVBQESA-N 0 3 222.292 0.339 20 0 BCADHN CS(=O)(=O)CCNC[C@@H]1CC[C@H](C2CC2)O1 ZINC000715398075 711545991 /nfs/dbraw/zinc/54/59/91/711545991.db2.gz YNBKSEILOUNKHI-WDEREUQCSA-N 0 3 247.360 0.578 20 0 BCADHN COC(=O)CCN[C@H](C)c1ccnn1C ZINC000234507951 711557791 /nfs/dbraw/zinc/55/77/91/711557791.db2.gz VMWFHNVSIZIZQF-MRVPVSSYSA-N 0 3 211.265 0.634 20 0 BCADHN CO[C@@H]1CC[C@@H]1N(C)c1cc(C)nc(N)n1 ZINC000724158580 711565222 /nfs/dbraw/zinc/56/52/22/711565222.db2.gz YTCIJBCEMYOQTN-DTWKUNHWSA-N 0 3 222.292 0.981 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCCc1ccncc1 ZINC000383534446 711575338 /nfs/dbraw/zinc/57/53/38/711575338.db2.gz RZDQZUVGDCRIDQ-GFCCVEGCSA-N 0 3 233.315 0.868 20 0 BCADHN C[C@H](O)[C@H](O)CN[C@@H](C)c1cncc(F)c1 ZINC000717345193 711596049 /nfs/dbraw/zinc/59/60/49/711596049.db2.gz ZOJNOMQWHVPANH-DKCNOQQISA-N 0 3 228.267 0.613 20 0 BCADHN Nc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)nn1 ZINC000724840839 711620722 /nfs/dbraw/zinc/62/07/22/711620722.db2.gz MIMZHCKUYCOTLF-KOLCDFICSA-N 0 3 234.303 0.670 20 0 BCADHN Cc1cc(CNCCO[C@@H]2CCOC2)n(C)n1 ZINC000724975329 711639533 /nfs/dbraw/zinc/63/95/33/711639533.db2.gz FQFYKZKCDLAKTR-GFCCVEGCSA-N 0 3 239.319 0.624 20 0 BCADHN NCC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000161019387 711648640 /nfs/dbraw/zinc/64/86/40/711648640.db2.gz HEXIETGMHLLYPG-RCOVLWMOSA-N 0 3 226.226 0.896 20 0 BCADHN C[C@]1(O)CCN(Cc2ccc(N)nc2)C1 ZINC000235760728 711667841 /nfs/dbraw/zinc/66/78/41/711667841.db2.gz SHTZUWDNSHYQBT-NSHDSACASA-N 0 3 207.277 0.621 20 0 BCADHN CN(C)C(=O)CNC[C@H]1CC1(Cl)Cl ZINC000388582635 711765032 /nfs/dbraw/zinc/76/50/32/711765032.db2.gz BXLLKCAXOVPUNY-ZCFIWIBFSA-N 0 3 225.119 0.858 20 0 BCADHN COC(=O)/C(C)=C\CN1CC[C@H](O)C1(C)C ZINC000309424382 711698069 /nfs/dbraw/zinc/69/80/69/711698069.db2.gz YIHYCZPDHOCXJO-BSKOKIOFSA-N 0 3 227.304 0.951 20 0 BCADHN OCc1cnccc1N1C[C@H](O)CC(F)(F)C1 ZINC000893420064 711721593 /nfs/dbraw/zinc/72/15/93/711721593.db2.gz CCVOEBJVNUIWDF-SECBINFHSA-N 0 3 244.241 0.780 20 0 BCADHN O=C(NC[C@@H]1CCCN1CCO)c1ccncc1 ZINC001027721755 711733199 /nfs/dbraw/zinc/73/31/99/711733199.db2.gz PJGOMWURGAZMEF-LBPRGKRZSA-N 0 3 249.314 0.268 20 0 BCADHN CCN1C[C@H](NC(=O)c2cn[nH]c2)C(C)(C)C1 ZINC000722281298 711733804 /nfs/dbraw/zinc/73/38/04/711733804.db2.gz DKAIBVYNJGUGBW-JTQLQIEISA-N 0 3 236.319 0.870 20 0 BCADHN CCN1CCC[C@@H](NCc2cnc[nH]2)C1=O ZINC000722348899 711743378 /nfs/dbraw/zinc/74/33/78/711743378.db2.gz KJXXKDYZHUTBDT-SNVBAGLBSA-N 0 3 222.292 0.510 20 0 BCADHN CCN1CCC[C@@H](Nc2cc(C)nc(N)n2)C1=O ZINC000722357325 711745103 /nfs/dbraw/zinc/74/51/03/711745103.db2.gz PDNUFJYZBHVREQ-SECBINFHSA-N 0 3 249.318 0.790 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1CSC1(C)C ZINC000393866298 711747412 /nfs/dbraw/zinc/74/74/12/711747412.db2.gz PDVHQNWEOZFZJB-QMMMGPOBSA-N 0 3 237.390 0.905 20 0 BCADHN CCCn1cc(NC(=O)[C@H](C)NC)cn1 ZINC000722372461 711751223 /nfs/dbraw/zinc/75/12/23/711751223.db2.gz YFTKIENIWWWLHD-QMMMGPOBSA-N 0 3 210.281 0.840 20 0 BCADHN CCCn1cc(NC(=O)[C@H](N)CCOC)cn1 ZINC000722373798 711751875 /nfs/dbraw/zinc/75/18/75/711751875.db2.gz RDPDLTJHTIAOBV-SNVBAGLBSA-N 0 3 240.307 0.595 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N1CC[C@H](C(C)(C)O)C1 ZINC000721830525 711778115 /nfs/dbraw/zinc/77/81/15/711778115.db2.gz CLVOSMUGPYJDTO-UWVGGRQHSA-N 0 3 240.347 0.746 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCN1C ZINC000928565795 711779229 /nfs/dbraw/zinc/77/92/29/711779229.db2.gz MPBRLNSVSGTXPM-VXGBXAGGSA-N 0 3 239.363 0.681 20 0 BCADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)C1CCC1 ZINC001076664310 711808006 /nfs/dbraw/zinc/80/80/06/711808006.db2.gz OYCUJAFDEHLZJP-VXGBXAGGSA-N 0 3 238.331 0.358 20 0 BCADHN CCc1nn(C)cc1CNCC[S@](=O)CC ZINC000161394883 711811850 /nfs/dbraw/zinc/81/18/50/711811850.db2.gz LYTIBJNJSPNKLY-INIZCTEOSA-N 0 3 243.376 0.841 20 0 BCADHN C[C@@H]1NC(=O)N([C@H]2C[C@H](C)N(C3CC3)C2)C1=O ZINC000348957276 711821457 /nfs/dbraw/zinc/82/14/57/711821457.db2.gz JGANBTCYGRJDKB-NRPADANISA-N 0 3 237.303 0.552 20 0 BCADHN C[C@@H]1NC(=O)N([C@@H]2C[C@H](C)N(C3CC3)C2)C1=O ZINC000348957277 711821571 /nfs/dbraw/zinc/82/15/71/711821571.db2.gz JGANBTCYGRJDKB-OYNCUSHFSA-N 0 3 237.303 0.552 20 0 BCADHN CCOC(=O)/C=C/CN(C)CC(C)(C)O ZINC000087415911 711835325 /nfs/dbraw/zinc/83/53/25/711835325.db2.gz SSDZKIZRZVNTOY-VOTSOKGWSA-N 0 3 215.293 0.808 20 0 BCADHN CC(C)N1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC000049296060 711841616 /nfs/dbraw/zinc/84/16/16/711841616.db2.gz DYXMSXSELTZCPL-SECBINFHSA-N 0 3 249.318 0.271 20 0 BCADHN COC[C@@H](CN1CCOC[C@H]1CCO)C(C)C ZINC000721983628 711857975 /nfs/dbraw/zinc/85/79/75/711857975.db2.gz OIAJUBBPJLPICP-CHWSQXEVSA-N 0 3 245.363 0.988 20 0 BCADHN CCNS(=O)(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000919853107 711879148 /nfs/dbraw/zinc/87/91/48/711879148.db2.gz AJMWOOAUDWIFLM-ZJUUUORDSA-N 0 3 247.364 0.009 20 0 BCADHN CC[C@](C)(O)CNc1cc(C)nc(N)n1 ZINC000082419726 711906669 /nfs/dbraw/zinc/90/66/69/711906669.db2.gz PZXVOOXRDIXSDM-JTQLQIEISA-N 0 3 210.281 0.940 20 0 BCADHN CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]n1 ZINC001032291550 711910749 /nfs/dbraw/zinc/91/07/49/711910749.db2.gz MOBDSJRXWYYAJL-QWRGUYRKSA-N 0 3 248.330 0.964 20 0 BCADHN CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn[nH]1 ZINC001032291550 711910750 /nfs/dbraw/zinc/91/07/50/711910750.db2.gz MOBDSJRXWYYAJL-QWRGUYRKSA-N 0 3 248.330 0.964 20 0 BCADHN C[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001032828817 711953485 /nfs/dbraw/zinc/95/34/85/711953485.db2.gz WGPZBQWYVBMOEE-VPOLOUISSA-N 0 3 226.320 0.214 20 0 BCADHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)C(C)(C)F)C1 ZINC001032860774 711965384 /nfs/dbraw/zinc/96/53/84/711965384.db2.gz HBXTZYTWSSOJJS-VHSXEESVSA-N 0 3 246.326 0.648 20 0 BCADHN COCCN1CC[C@H](N(C)C(=O)C(C)C)C1 ZINC001032914794 711968309 /nfs/dbraw/zinc/96/83/09/711968309.db2.gz HNAXVZCUAQWLEJ-NSHDSACASA-N 0 3 228.336 0.822 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2cncnc2C)C1 ZINC001032937311 711968503 /nfs/dbraw/zinc/96/85/03/711968503.db2.gz TUSKMWSLVLMXMM-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2ccnn2C)C1 ZINC001032941855 711968790 /nfs/dbraw/zinc/96/87/90/711968790.db2.gz UZCLMXRZOLYXQG-JTQLQIEISA-N 0 3 236.319 0.586 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2cc(C)ncn2)C1 ZINC001033016396 711971097 /nfs/dbraw/zinc/97/10/97/711971097.db2.gz AYBKLMXDXMHIKZ-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN CN(C(=O)[C@@H]1CC1(C)C)[C@H]1CCN(CCO)C1 ZINC001033016525 711971183 /nfs/dbraw/zinc/97/11/83/711971183.db2.gz CBASTKVHVRXAPO-QWRGUYRKSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)C2(C)CC2)C1 ZINC001033112123 711976866 /nfs/dbraw/zinc/97/68/66/711976866.db2.gz QNKRLGCSQNJERG-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN O=C(NC[C@H]1CCN1CC1CC1)[C@@H]1CCOC1 ZINC001038093580 711978786 /nfs/dbraw/zinc/97/87/86/711978786.db2.gz AAVWFVKPRDZTCQ-VXGBXAGGSA-N 0 3 238.331 0.623 20 0 BCADHN CC(C)N1CC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001038093319 711979183 /nfs/dbraw/zinc/97/91/83/711979183.db2.gz WWUSCKAWAMLFOG-MNOVXSKESA-N 0 3 226.320 0.622 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2cnco2)C1 ZINC001033305474 711981726 /nfs/dbraw/zinc/98/17/26/711981726.db2.gz HZTYSROPIKQIHY-VIFPVBQESA-N 0 3 223.276 0.841 20 0 BCADHN COc1cncc(CNC[C@H]2COCCO2)c1 ZINC000700010329 711982894 /nfs/dbraw/zinc/98/28/94/711982894.db2.gz DSARWBSOKMNJAY-LBPRGKRZSA-N 0 3 238.287 0.595 20 0 BCADHN COCC[C@H](N)C(=O)NCC(C)(F)F ZINC000700073547 711985772 /nfs/dbraw/zinc/98/57/72/711985772.db2.gz AONPQKAZJIWSRQ-LURJTMIESA-N 0 3 210.224 0.122 20 0 BCADHN CN1CCOC[C@H]1CN[C@H]1CCc2cccnc21 ZINC000700133022 711986655 /nfs/dbraw/zinc/98/66/55/711986655.db2.gz YQSAIKLMIWUKRY-OLZOCXBDSA-N 0 3 247.342 0.989 20 0 BCADHN Cc1cc(N2CC[C@H](C)[C@H](CO)C2)nc(N)n1 ZINC000700450830 711995067 /nfs/dbraw/zinc/99/50/67/711995067.db2.gz IEFQCKJATFVOSJ-WPRPVWTQSA-N 0 3 236.319 0.822 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC001033493837 711996631 /nfs/dbraw/zinc/99/66/31/711996631.db2.gz ABAUYCQXKYFMMO-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN CCCN1CC[C@H](N(C)C(=O)c2cnon2)C1 ZINC001033527909 712000807 /nfs/dbraw/zinc/00/08/07/712000807.db2.gz RVKOUDNZLSFLLV-VIFPVBQESA-N 0 3 238.291 0.626 20 0 BCADHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)C(C)(C)C)C1 ZINC001033603242 712007551 /nfs/dbraw/zinc/00/75/51/712007551.db2.gz JOKFZPGDFJQQKA-WDEREUQCSA-N 0 3 242.363 0.946 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2[nH]cnc2C)C1 ZINC001033711142 712015051 /nfs/dbraw/zinc/01/50/51/712015051.db2.gz MDMNXLWLBWIADW-SNVBAGLBSA-N 0 3 236.319 0.884 20 0 BCADHN CCN(C(=O)C1CC1)[C@@H]1CCN(CCOC)C1 ZINC001033718771 712016437 /nfs/dbraw/zinc/01/64/37/712016437.db2.gz LUNDQXIJTTWDIL-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN OC[C@H]1CN(CCOC2CCCCC2)C[C@H]1O ZINC000701332968 712020725 /nfs/dbraw/zinc/02/07/25/712020725.db2.gz USEYXXCZZXHAEQ-DGCLKSJQSA-N 0 3 243.347 0.621 20 0 BCADHN C[S@](=O)CCN1CC(C)(C)CC[C@@H]1CO ZINC000701641750 712026097 /nfs/dbraw/zinc/02/60/97/712026097.db2.gz GDJLFBYATSLGDO-BMIGLBTASA-N 0 3 233.377 0.848 20 0 BCADHN O=C(N[C@H]1CCCCN(CCO)C1)C1CC1 ZINC001034070434 712038929 /nfs/dbraw/zinc/03/89/29/712038929.db2.gz NGFKDSTXTXVYNN-NSHDSACASA-N 0 3 226.320 0.359 20 0 BCADHN C[C@H]1CC(NC(=O)[C@@H](N)CN(C)C)C[C@H](C)C1 ZINC000702343445 712045699 /nfs/dbraw/zinc/04/56/99/712045699.db2.gz YJPAPUBUYKNORH-FOGDFJRCSA-N 0 3 241.379 0.816 20 0 BCADHN Cc1ccccc1CCNC(=O)[C@@H](N)CN(C)C ZINC000702343420 712045898 /nfs/dbraw/zinc/04/58/98/712045898.db2.gz XZEMUPIGMLUHBM-ZDUSSCGKSA-N 0 3 249.358 0.543 20 0 BCADHN CNS(=O)(=O)CCN[C@@H](C)C1(Cl)CC1 ZINC000702356392 712046318 /nfs/dbraw/zinc/04/63/18/712046318.db2.gz JKGZZRKLBQNAJY-ZETCQYMHSA-N 0 3 240.756 0.285 20 0 BCADHN CC(C)[C@H]1CCCN1C(=O)[C@@H](N)CN(C)C ZINC000702330700 712046895 /nfs/dbraw/zinc/04/68/95/712046895.db2.gz VOLXKTYPULHMFI-WDEREUQCSA-N 0 3 227.352 0.522 20 0 BCADHN CC(C)[C@@H]1CCCN1C(=O)[C@@H](N)CN(C)C ZINC000702330697 712046952 /nfs/dbraw/zinc/04/69/52/712046952.db2.gz VOLXKTYPULHMFI-QWRGUYRKSA-N 0 3 227.352 0.522 20 0 BCADHN C[C@@H](C[C@@H]1COCCN1)NCc1ncccn1 ZINC000702323207 712047006 /nfs/dbraw/zinc/04/70/06/712047006.db2.gz HJIUCDKDEJGCQV-WDEREUQCSA-N 0 3 236.319 0.333 20 0 BCADHN CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000702339096 712047600 /nfs/dbraw/zinc/04/76/00/712047600.db2.gz DZOAFCAYVIXTPL-GRYCIOLGSA-N 0 3 241.379 0.960 20 0 BCADHN C[C@@H]1CN(C(=O)[C@@H](N)CN(C)C)C(C)(C)C1 ZINC000702398605 712048590 /nfs/dbraw/zinc/04/85/90/712048590.db2.gz ZCTDHFGTNBELCL-UWVGGRQHSA-N 0 3 227.352 0.522 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCc1ccccc1F ZINC000702374998 712049575 /nfs/dbraw/zinc/04/95/75/712049575.db2.gz HCVVIQVTCUNPFJ-NSHDSACASA-N 0 3 239.294 0.331 20 0 BCADHN CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000702389245 712049885 /nfs/dbraw/zinc/04/98/85/712049885.db2.gz CSZFLCXVZQLIAB-OUAUKWLOSA-N 0 3 227.352 0.570 20 0 BCADHN C[C@H]1CCCCN1C(=O)[C@@H](N)CN(C)C ZINC000702387381 712050146 /nfs/dbraw/zinc/05/01/46/712050146.db2.gz RUYOQKVDNZPKGN-UWVGGRQHSA-N 0 3 213.325 0.276 20 0 BCADHN C[C@@H](NC(=O)[C@@H](N)CN(C)C)C(C)(C)C ZINC000702401573 712050722 /nfs/dbraw/zinc/05/07/22/712050722.db2.gz MXQCXOHUBNYKSE-BDAKNGLRSA-N 0 3 215.341 0.426 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccccc1O ZINC000702407364 712051056 /nfs/dbraw/zinc/05/10/56/712051056.db2.gz DVWSFOOPPSDLRI-QMMMGPOBSA-N 0 3 223.276 0.220 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccc(F)cn1 ZINC000702413161 712051402 /nfs/dbraw/zinc/05/14/02/712051402.db2.gz FMIQTAAMCSSCSR-QMMMGPOBSA-N 0 3 226.255 0.048 20 0 BCADHN C[N@@H+]1C[C@@H]2CN(c3cc(=O)[n-]cn3)C[C@]2(C)C1 ZINC000702462393 712053818 /nfs/dbraw/zinc/05/38/18/712053818.db2.gz KHXFLJUSTAVSRQ-SKDRFNHKSA-N 0 3 234.303 0.570 20 0 BCADHN C[N@H+]1C[C@@H]2CN(c3cc(=O)[n-]cn3)C[C@]2(C)C1 ZINC000702462393 712053819 /nfs/dbraw/zinc/05/38/19/712053819.db2.gz KHXFLJUSTAVSRQ-SKDRFNHKSA-N 0 3 234.303 0.570 20 0 BCADHN C[C@@H](O)CN[C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000703317519 712072064 /nfs/dbraw/zinc/07/20/64/712072064.db2.gz INJDTSWUHAEKBZ-RKDXNWHRSA-N 0 3 246.307 0.508 20 0 BCADHN Nc1ccc(CN2CC[C@H]3COC[C@@H]3C2)nn1 ZINC000703928322 712095083 /nfs/dbraw/zinc/09/50/83/712095083.db2.gz ZRBYRAGFLXBTMM-UWVGGRQHSA-N 0 3 234.303 0.527 20 0 BCADHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(N)nn1 ZINC000703967138 712097199 /nfs/dbraw/zinc/09/71/99/712097199.db2.gz NDQFNKLUGKUHDZ-BDAKNGLRSA-N 0 3 249.318 0.145 20 0 BCADHN O[C@@]1(CNCc2cnccn2)CCSC1 ZINC000705255135 712127222 /nfs/dbraw/zinc/12/72/22/712127222.db2.gz MTQSMBNRMPDWBC-SNVBAGLBSA-N 0 3 225.317 0.434 20 0 BCADHN Cc1ncccc1CN1C[C@H](CO)[C@H](CO)C1 ZINC000705378565 712129893 /nfs/dbraw/zinc/12/98/93/712129893.db2.gz XIJCWCOUGFAHAB-BETUJISGSA-N 0 3 236.315 0.423 20 0 BCADHN CC(C)C1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000705421036 712131344 /nfs/dbraw/zinc/13/13/44/712131344.db2.gz SQJDGXOFVZRIGB-LBPRGKRZSA-N 0 3 241.379 0.770 20 0 BCADHN Cc1cc(O)cc(NC(=O)[C@@H](N)CN(C)C)c1 ZINC000705598208 712132601 /nfs/dbraw/zinc/13/26/01/712132601.db2.gz DPUMBHVWTZTDQR-NSHDSACASA-N 0 3 237.303 0.528 20 0 BCADHN [O-]c1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)cc1F ZINC000706772974 712155319 /nfs/dbraw/zinc/15/53/19/712155319.db2.gz SVMPJNZENCMSBY-ZYHUDNBSSA-N 0 3 241.262 0.771 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC[C@H]1CC=CCC1 ZINC000706862008 712157214 /nfs/dbraw/zinc/15/72/14/712157214.db2.gz LRGIMTLQWPOMGG-RYUDHWBXSA-N 0 3 239.363 0.738 20 0 BCADHN CN(C)C[C@H](N)C(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000707128951 712165421 /nfs/dbraw/zinc/16/54/21/712165421.db2.gz DOLXVXJVYYSPSK-GVXVVHGQSA-N 0 3 239.363 0.666 20 0 BCADHN Cc1cc(N2CC(n3cccn3)C2)nc(N)n1 ZINC000707427688 712169837 /nfs/dbraw/zinc/16/98/37/712169837.db2.gz GHSKBXLKUYPFJW-UHFFFAOYSA-N 0 3 230.275 0.625 20 0 BCADHN CCC[C@H](CNCCS(C)(=O)=O)OCC ZINC000707845890 712179580 /nfs/dbraw/zinc/17/95/80/712179580.db2.gz YHKADWXZEWIOIN-SNVBAGLBSA-N 0 3 237.365 0.826 20 0 BCADHN C[C@@H]1COC[C@@H]1N[C@@H]1CCN(C2CCC2)C1=O ZINC000708660824 712196429 /nfs/dbraw/zinc/19/64/29/712196429.db2.gz TUQIWPBTQWTEPY-JLLWLGSASA-N 0 3 238.331 0.764 20 0 BCADHN O=C1[C@H](NCc2cnc[nH]2)CCN1C1CCC1 ZINC000708714090 712197319 /nfs/dbraw/zinc/19/73/19/712197319.db2.gz PPXVMWUFPMUFGN-LLVKDONJSA-N 0 3 234.303 0.653 20 0 BCADHN Cc1cc(N[C@H]2CCN(C(C)C)C2=O)nc(N)n1 ZINC000709120214 712209362 /nfs/dbraw/zinc/20/93/62/712209362.db2.gz BEWITHZAPUPZJV-VIFPVBQESA-N 0 3 249.318 0.788 20 0 BCADHN CN(C[C@@H]1C[C@H]2CCC[C@H]2O1)[C@@H]1COC[C@H]1O ZINC000709622599 712225455 /nfs/dbraw/zinc/22/54/55/712225455.db2.gz JKRRCUGRZYRQCI-NZEXEKPDSA-N 0 3 241.331 0.636 20 0 BCADHN CN(C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@@H]1COC[C@H]1O ZINC000709622597 712225521 /nfs/dbraw/zinc/22/55/21/712225521.db2.gz JKRRCUGRZYRQCI-KIJLLGNVSA-N 0 3 241.331 0.636 20 0 BCADHN CN(C[C@@H]1C[C@H]2CCC[C@@H]2O1)[C@@H]1COC[C@H]1O ZINC000709622598 712225771 /nfs/dbraw/zinc/22/57/71/712225771.db2.gz JKRRCUGRZYRQCI-MLGHIDQZSA-N 0 3 241.331 0.636 20 0 BCADHN CN(C[C@H]1CCC(C)(C)CO1)[C@@H]1COC[C@H]1O ZINC000709622580 712225822 /nfs/dbraw/zinc/22/58/22/712225822.db2.gz CZFVNDABPFJQOT-IJLUTSLNSA-N 0 3 243.347 0.883 20 0 BCADHN CCN(CCO)C[C@@H]1CN(CC)C(=O)O1 ZINC000709788798 712226989 /nfs/dbraw/zinc/22/69/89/712226989.db2.gz VAKDJWOXZSOBBX-SECBINFHSA-N 0 3 216.281 0.141 20 0 BCADHN OC[C@@H]1CCCN(Cc2ccncc2)[C@@H]1CO ZINC000709808820 712228359 /nfs/dbraw/zinc/22/83/59/712228359.db2.gz JTRJAFSMTJTMAZ-QWHCGFSZSA-N 0 3 236.315 0.647 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H](C)CC1CCC1 ZINC000710293434 712251026 /nfs/dbraw/zinc/25/10/26/712251026.db2.gz VPFUYFAMXPOMHD-WPRPVWTQSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@@H]1COC[C@@H]1NCc1cnc(N(C)C)n1C ZINC000710881938 712260615 /nfs/dbraw/zinc/26/06/15/712260615.db2.gz VRSSVYLHFKVMLC-KOLCDFICSA-N 0 3 238.335 0.611 20 0 BCADHN CO[C@@](C)(CO)CN[C@@H]1CCC1(OC)OC ZINC000710987624 712272156 /nfs/dbraw/zinc/27/21/56/712272156.db2.gz IQDNVXPSEZFNOF-NXEZZACHSA-N 0 3 233.308 0.125 20 0 BCADHN CCOCCN[C@@H]1CCC1(OC)OC ZINC000710997441 712273427 /nfs/dbraw/zinc/27/34/27/712273427.db2.gz RHNLVTJJIUPXLP-SECBINFHSA-N 0 3 203.282 0.764 20 0 BCADHN CCNC(=O)C(C)(C)NCCOC1CC1 ZINC000711727174 712323150 /nfs/dbraw/zinc/32/31/50/712323150.db2.gz GFFGJOBRTHPCSY-UHFFFAOYSA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@@H](N)c1cn(CCOC2CC2)nn1 ZINC000711784464 712329933 /nfs/dbraw/zinc/32/99/33/712329933.db2.gz DBQBEZBEJRSNKM-SECBINFHSA-N 0 3 210.281 0.867 20 0 BCADHN NCC(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711854475 712337027 /nfs/dbraw/zinc/33/70/27/712337027.db2.gz FLJDFNJZKOKIKL-KOLCDFICSA-N 0 3 212.293 0.267 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000711869985 712337492 /nfs/dbraw/zinc/33/74/92/712337492.db2.gz QFMJOQFWXQMJPK-TUAOUCFPSA-N 0 3 240.347 0.461 20 0 BCADHN C[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)F)C1 ZINC001079352082 712347962 /nfs/dbraw/zinc/34/79/62/712347962.db2.gz IBKKLEYAJAJCNR-KXUCPTDWSA-N 0 3 246.326 0.552 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)C1CC=CC1 ZINC001079514916 712349846 /nfs/dbraw/zinc/34/98/46/712349846.db2.gz HTIONIGYYJKFMH-ZYHUDNBSSA-N 0 3 238.331 0.381 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001080274103 712353244 /nfs/dbraw/zinc/35/32/44/712353244.db2.gz MURCBMIYZXSRFP-ZRUFSTJUSA-N 0 3 226.320 0.071 20 0 BCADHN Cc1ccc(C(=O)NOCC[NH+](C)C)c([O-])c1 ZINC000379051087 712368719 /nfs/dbraw/zinc/36/87/19/712368719.db2.gz JTFNIPMCGDCZQP-UHFFFAOYSA-N 0 3 238.287 0.924 20 0 BCADHN CC(C)[C@@H](C)C(=O)NOCCN(C)C ZINC000379100529 712369220 /nfs/dbraw/zinc/36/92/20/712369220.db2.gz OMCGMSHIMYYDSK-SECBINFHSA-N 0 3 202.298 0.888 20 0 BCADHN CN(C)CCONC(=O)c1ccc(=O)[nH]c1 ZINC000379180675 712370804 /nfs/dbraw/zinc/37/08/04/712370804.db2.gz RURATBPEVHIFQW-UHFFFAOYSA-N 0 3 225.248 0.010 20 0 BCADHN O=C(CCN1CCC[C@H](OCCO)C1)C1CC1 ZINC000767403773 712413739 /nfs/dbraw/zinc/41/37/39/712413739.db2.gz ZQFXKXDDAYKPNI-LBPRGKRZSA-N 0 3 241.331 0.829 20 0 BCADHN C[C@@H](NC[C@H]1CCN1C)c1nccn1C ZINC000712609078 712437287 /nfs/dbraw/zinc/43/72/87/712437287.db2.gz OCNCLTNVWPEKGS-NXEZZACHSA-N 0 3 208.309 0.775 20 0 BCADHN CCCn1cc(CNCCc2n[nH]c(C)n2)nn1 ZINC000714438724 712487234 /nfs/dbraw/zinc/48/72/34/712487234.db2.gz VSSKZXHUFWOFIO-UHFFFAOYSA-N 0 3 249.322 0.447 20 0 BCADHN CCCn1cc(CNCCc2nc(C)n[nH]2)nn1 ZINC000714438724 712487236 /nfs/dbraw/zinc/48/72/36/712487236.db2.gz VSSKZXHUFWOFIO-UHFFFAOYSA-N 0 3 249.322 0.447 20 0 BCADHN CO[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC000714626480 712488089 /nfs/dbraw/zinc/48/80/89/712488089.db2.gz PXDPPRGRCRDFJJ-MGCOHNPYSA-N 0 3 209.293 0.935 20 0 BCADHN CO[C@H]1C[C@H](CNCc2cnn(C)n2)C1 ZINC000714627073 712488853 /nfs/dbraw/zinc/48/88/53/712488853.db2.gz RDLLLPRQEJYNJJ-CZMCAQCFSA-N 0 3 210.281 0.330 20 0 BCADHN CCN(C)C(=O)CNC[C@H]1COC(C)(C)O1 ZINC000715067155 712505851 /nfs/dbraw/zinc/50/58/51/712505851.db2.gz WESJYOQOCRBYRK-VIFPVBQESA-N 0 3 230.308 0.206 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000036871923 712506865 /nfs/dbraw/zinc/50/68/65/712506865.db2.gz HAHLSDPQPNTJGA-ZETCQYMHSA-N 0 3 234.259 0.532 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CC[C@@H](C3CC3)O2)C[C@H]1O ZINC000715397960 712516359 /nfs/dbraw/zinc/51/63/59/712516359.db2.gz XWIYRVIOHSEVCS-QNWHQSFQSA-N 0 3 241.331 0.636 20 0 BCADHN Cn1nncc1CNC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715450037 712519147 /nfs/dbraw/zinc/51/91/47/712519147.db2.gz FKJCFQDKQPAKSO-RYUDHWBXSA-N 0 3 236.319 0.862 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715483393 712520841 /nfs/dbraw/zinc/52/08/41/712520841.db2.gz ZMOUIRDHCUZDCU-XVMARJQXSA-N 0 3 204.220 0.447 20 0 BCADHN Cc1c[nH]nc1CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000715388871 712522462 /nfs/dbraw/zinc/52/24/62/712522462.db2.gz ATEXOWJLGNKDRE-UMNHJUIQSA-N 0 3 221.304 0.921 20 0 BCADHN COC(=O)c1cc(NC(=O)[C@@H](C)N)ccc1F ZINC000037028445 712530325 /nfs/dbraw/zinc/53/03/25/712530325.db2.gz XBRSMAYCVUJVTO-ZCFIWIBFSA-N 0 3 240.234 0.898 20 0 BCADHN C[C@@H]1CN(C(=O)C23CCN(CC2)C3)CCC1=O ZINC000715780262 712532150 /nfs/dbraw/zinc/53/21/50/712532150.db2.gz VHARKXWTOQJDKA-SNVBAGLBSA-N 0 3 236.315 0.520 20 0 BCADHN C[C@H]1CN(C(=O)C23CCN(CC2)C3)CCC1=O ZINC000715780261 712532571 /nfs/dbraw/zinc/53/25/71/712532571.db2.gz VHARKXWTOQJDKA-JTQLQIEISA-N 0 3 236.315 0.520 20 0 BCADHN C[C@@H](N[C@@H]1CCN(C2CC2)C1)c1cn(C)nn1 ZINC000715876191 712538725 /nfs/dbraw/zinc/53/87/25/712538725.db2.gz GLMDASKHOGYQPT-NXEZZACHSA-N 0 3 235.335 0.702 20 0 BCADHN C[C@@H](CO)CCCN[C@H](C)c1cn(C)nn1 ZINC000715879138 712539314 /nfs/dbraw/zinc/53/93/14/712539314.db2.gz SJXMLAYIJQAKIJ-NXEZZACHSA-N 0 3 226.324 0.874 20 0 BCADHN C[C@@H](NCC1CCOCC1)c1cn(C)nn1 ZINC000715913587 712541672 /nfs/dbraw/zinc/54/16/72/712541672.db2.gz SILHXUIACWYLHR-SECBINFHSA-N 0 3 224.308 0.892 20 0 BCADHN NC1(C(=O)NCC[C@H]2CCCS2)CC1 ZINC000716044951 712548165 /nfs/dbraw/zinc/54/81/65/712548165.db2.gz OUXZAKRDPDKQAD-MRVPVSSYSA-N 0 3 214.334 0.880 20 0 BCADHN O=S(=O)(NCCCCC1CC1)C1CNC1 ZINC000716352680 712556361 /nfs/dbraw/zinc/55/63/61/712556361.db2.gz ODXDFUYFCNSGBU-UHFFFAOYSA-N 0 3 232.349 0.458 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC(C(C)(C)O)CC1 ZINC000716412600 712559391 /nfs/dbraw/zinc/55/93/91/712559391.db2.gz KKUNSASYUMWBLS-JTQLQIEISA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@H](CO)CN(C)C ZINC000716426351 712560212 /nfs/dbraw/zinc/56/02/12/712560212.db2.gz ZOCVGKLQPOXKLV-WTPMCQDGSA-N 0 3 240.347 0.317 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C1(C(F)F)CC1 ZINC000716679760 712569544 /nfs/dbraw/zinc/56/95/44/712569544.db2.gz RNWQHALQCYPZDK-SSDOTTSWSA-N 0 3 236.262 0.070 20 0 BCADHN O=C1C[C@@H](NCc2cnc[nH]2)CN1CC1CC1 ZINC000716758826 712572403 /nfs/dbraw/zinc/57/24/03/712572403.db2.gz PRTFKKUGEQWWFE-SNVBAGLBSA-N 0 3 234.303 0.510 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CC1(C)C ZINC000716785158 712573602 /nfs/dbraw/zinc/57/36/02/712573602.db2.gz ILIGWGKGWXYGTQ-IUCAKERBSA-N 0 3 214.309 0.071 20 0 BCADHN CCS(=O)(=O)CCN[C@@H](C)[C@H]1CCCO1 ZINC000037371163 712577971 /nfs/dbraw/zinc/57/79/71/712577971.db2.gz LKEVAHYWXOWRPT-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CC1(C)[C@@H](O)CCN1CC1OCCO1 ZINC000812865834 712586982 /nfs/dbraw/zinc/58/69/82/712586982.db2.gz TYWTTWHADKYJPM-QMMMGPOBSA-N 0 3 201.266 0.205 20 0 BCADHN CCNCC(=O)Nc1cncnc1N1CCCC1 ZINC000818610066 712590233 /nfs/dbraw/zinc/59/02/33/712590233.db2.gz WHTWLUYVNRMQSI-UHFFFAOYSA-N 0 3 249.318 0.625 20 0 BCADHN Cn1cnc(CNC[C@@H]2CC[C@H](O)C2)c1 ZINC000379835089 712615395 /nfs/dbraw/zinc/61/53/95/712615395.db2.gz FAANNIYYDXWYMX-KOLCDFICSA-N 0 3 209.293 0.671 20 0 BCADHN Cc1ccc(CNC[C@@H](O)[C@@H](C)O)cc1F ZINC000717306492 712646046 /nfs/dbraw/zinc/64/60/46/712646046.db2.gz IGLKAARLXRLCQB-BXKDBHETSA-N 0 3 227.279 0.965 20 0 BCADHN Cc1ccc(F)cc1CNC[C@@H](O)[C@@H](C)O ZINC000717309916 712646438 /nfs/dbraw/zinc/64/64/38/712646438.db2.gz VRSUAJICRVGKOP-BXKDBHETSA-N 0 3 227.279 0.965 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1cccc2c1OCC2 ZINC000717389386 712653233 /nfs/dbraw/zinc/65/32/33/712653233.db2.gz XDDRLOHOUQTNML-JOYOIKCWSA-N 0 3 237.299 0.453 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1cnn(C(C)(C)C)c1 ZINC000717403149 712655842 /nfs/dbraw/zinc/65/58/42/712655842.db2.gz GZCLHVYMWIGKRG-GXSJLCMTSA-N 0 3 241.335 0.469 20 0 BCADHN Cc1ncc(CNC[C@H](O)[C@@H](C)O)s1 ZINC000717423467 712657934 /nfs/dbraw/zinc/65/79/34/712657934.db2.gz ZKQUMHZUOSEDNX-MUWHJKNJSA-N 0 3 216.306 0.283 20 0 BCADHN Cc1ncc(CNC[C@H](O)[C@H](C)O)s1 ZINC000717423468 712657920 /nfs/dbraw/zinc/65/79/20/712657920.db2.gz ZKQUMHZUOSEDNX-RCOVLWMOSA-N 0 3 216.306 0.283 20 0 BCADHN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccns1)C1CC1 ZINC000717737193 712669399 /nfs/dbraw/zinc/66/93/99/712669399.db2.gz UCYAPGGVAVDTKF-ZETCQYMHSA-N 0 3 247.345 0.159 20 0 BCADHN Cc1coc(CN[C@@H]2CCOC[C@H]2O)c1 ZINC000718069227 712740697 /nfs/dbraw/zinc/74/06/97/712740697.db2.gz BSMOSJQNQQTEEU-GHMZBOCLSA-N 0 3 211.261 0.827 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2C[C@@H](C)NC[C@@H]2C)C1 ZINC000718497921 712767093 /nfs/dbraw/zinc/76/70/93/712767093.db2.gz BXCWJJJOQHNHRP-VLEAKVRGSA-N 0 3 226.320 0.620 20 0 BCADHN COCCNCC(=O)NCCC(C)(C)COC ZINC000718948706 712789986 /nfs/dbraw/zinc/78/99/86/712789986.db2.gz NSMOZKLIZJDBHT-UHFFFAOYSA-N 0 3 246.351 0.401 20 0 BCADHN C[S@](=O)CCN1CCC(C2OCCO2)CC1 ZINC000718974217 712791027 /nfs/dbraw/zinc/79/10/27/712791027.db2.gz IVRCCQGWAFWHNW-INIZCTEOSA-N 0 3 247.360 0.450 20 0 BCADHN C[S@@](=O)CCN1CCC[C@H](C2OCCO2)C1 ZINC000718979627 712791153 /nfs/dbraw/zinc/79/11/53/712791153.db2.gz JCXOWHNCGJOANA-MGPLVRAMSA-N 0 3 247.360 0.450 20 0 BCADHN CCN(CC(F)F)C(=O)c1c(CN)cnn1C ZINC000719185206 712799318 /nfs/dbraw/zinc/79/93/18/712799318.db2.gz QLECDRGNALILLT-UHFFFAOYSA-N 0 3 246.261 0.606 20 0 BCADHN Cn1ncc(CN)c1C(=O)N[C@H]1CC=CCC1 ZINC000719247029 712801159 /nfs/dbraw/zinc/80/11/59/712801159.db2.gz JUPJHVOEICEZDS-JTQLQIEISA-N 0 3 234.303 0.717 20 0 BCADHN C[C@H]1CCN(C(=O)c2c(CN)cnn2C)C1 ZINC000719258361 712802125 /nfs/dbraw/zinc/80/21/25/712802125.db2.gz YKWUQRWRQSLENX-QMMMGPOBSA-N 0 3 222.292 0.361 20 0 BCADHN Cn1ncc(CN)c1C(=O)NC1CC2(CCC2)C1 ZINC000719278682 712803157 /nfs/dbraw/zinc/80/31/57/712803157.db2.gz FCGHYTMJEJISKJ-UHFFFAOYSA-N 0 3 248.330 0.941 20 0 BCADHN CS[C@H](C)CNC(=O)c1c(CN)cnn1C ZINC000719281077 712803203 /nfs/dbraw/zinc/80/32/03/712803203.db2.gz OHHHVFFGCKYECO-SSDOTTSWSA-N 0 3 242.348 0.360 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCN1C ZINC000719340945 712804357 /nfs/dbraw/zinc/80/43/57/712804357.db2.gz HAIRMUIFIZXZCW-BDAKNGLRSA-N 0 3 235.287 0.610 20 0 BCADHN C[C@@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1C ZINC000719340963 712804664 /nfs/dbraw/zinc/80/46/64/712804664.db2.gz HAIRMUIFIZXZCW-RKDXNWHRSA-N 0 3 235.287 0.610 20 0 BCADHN CO[C@H](C)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000719433302 712807659 /nfs/dbraw/zinc/80/76/59/712807659.db2.gz CTTNSWBVZKXEEW-YIZRAAEISA-N 0 3 200.282 0.230 20 0 BCADHN Cc1nc(N[C@H]2CC[N@H+](C)[C@H]2C)cc(=O)[n-]1 ZINC000719568864 712809938 /nfs/dbraw/zinc/80/99/38/712809938.db2.gz FZOZGVFGOGADMR-CBAPKCEASA-N 0 3 222.292 0.995 20 0 BCADHN Cc1nc(N[C@H]2CC[N@@H+](C)[C@H]2C)cc(=O)[n-]1 ZINC000719568864 712809940 /nfs/dbraw/zinc/80/99/40/712809940.db2.gz FZOZGVFGOGADMR-CBAPKCEASA-N 0 3 222.292 0.995 20 0 BCADHN Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)cc(=O)[n-]1 ZINC000719568866 712810145 /nfs/dbraw/zinc/81/01/45/712810145.db2.gz FZOZGVFGOGADMR-VXNVDRBHSA-N 0 3 222.292 0.995 20 0 BCADHN Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc(=O)[n-]1 ZINC000719568866 712810147 /nfs/dbraw/zinc/81/01/47/712810147.db2.gz FZOZGVFGOGADMR-VXNVDRBHSA-N 0 3 222.292 0.995 20 0 BCADHN COc1cc(N[C@@H]2CCN(C)[C@@H]2C)ncn1 ZINC000719571249 712810760 /nfs/dbraw/zinc/81/07/60/712810760.db2.gz RTAAGNWBRSXHEQ-RKDXNWHRSA-N 0 3 222.292 0.990 20 0 BCADHN COc1ccnc(N[C@@H]2CCN(C)[C@H]2C)n1 ZINC000719570613 712811166 /nfs/dbraw/zinc/81/11/66/712811166.db2.gz PALSNHOHRAUXMF-DTWKUNHWSA-N 0 3 222.292 0.990 20 0 BCADHN C[C@H](N[C@@H]1CCN(C)[C@H]1C)c1cn(C)nn1 ZINC000719597074 712813302 /nfs/dbraw/zinc/81/33/02/712813302.db2.gz CMAAHFZRSWQVDZ-LPEHRKFASA-N 0 3 223.324 0.558 20 0 BCADHN C[C@H](N[C@H]1CCN(C)[C@@H]1C)c1cn(C)nn1 ZINC000719597069 712813353 /nfs/dbraw/zinc/81/33/53/712813353.db2.gz CMAAHFZRSWQVDZ-AEJSXWLSSA-N 0 3 223.324 0.558 20 0 BCADHN C[C@H]1[C@@H](NCc2nccn2C)CCN1C ZINC000719623539 712814301 /nfs/dbraw/zinc/81/43/01/712814301.db2.gz LVFCRIKBFYFXGW-UWVGGRQHSA-N 0 3 208.309 0.602 20 0 BCADHN CC(C)(O)[C@@H]1CCCN([C@@H]2CCNC2=O)C1 ZINC000719663358 712818250 /nfs/dbraw/zinc/81/82/50/712818250.db2.gz WOFGKQHFULNKDV-NXEZZACHSA-N 0 3 226.320 0.358 20 0 BCADHN CC1(C(=O)NC[C@@H]2CNCCO2)CC(F)(F)C1 ZINC000720471210 712845549 /nfs/dbraw/zinc/84/55/49/712845549.db2.gz HNMMZVLXMQQZMM-QMMMGPOBSA-N 0 3 248.273 0.526 20 0 BCADHN C[C@H]1Cc2cc(CNC[C@H](O)CO)ccc2O1 ZINC000720790315 712865677 /nfs/dbraw/zinc/86/56/77/712865677.db2.gz KXBMIPBKJADFIP-CABZTGNLSA-N 0 3 237.299 0.453 20 0 BCADHN C[C@@H]1Cc2cc(CNC[C@H](O)CO)ccc2O1 ZINC000720790317 712865890 /nfs/dbraw/zinc/86/58/90/712865890.db2.gz KXBMIPBKJADFIP-SKDRFNHKSA-N 0 3 237.299 0.453 20 0 BCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn[nH]c1 ZINC000720808794 712867120 /nfs/dbraw/zinc/86/71/20/712867120.db2.gz DNDNIPPNGSYRPS-WDEREUQCSA-N 0 3 234.303 0.718 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn[nH]n1 ZINC000720813038 712867638 /nfs/dbraw/zinc/86/76/38/712867638.db2.gz XFMYYVBRLCBEJK-NXEZZACHSA-N 0 3 235.291 0.113 20 0 BCADHN Cc1nc(N)nc(N2CC[C@H]3[C@H]2CCCN3C)n1 ZINC000720816086 712868301 /nfs/dbraw/zinc/86/83/01/712868301.db2.gz MVFZAWYGGNYVGL-VHSXEESVSA-N 0 3 248.334 0.435 20 0 BCADHN CS(=O)(=O)CCNC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720821472 712868967 /nfs/dbraw/zinc/86/89/67/712868967.db2.gz PAUDDZODKHDXBF-DCAQKATOSA-N 0 3 247.360 0.578 20 0 BCADHN COCC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000721058541 712888928 /nfs/dbraw/zinc/88/89/28/712888928.db2.gz SOCINAUWZNLJBO-GFCCVEGCSA-N 0 3 234.299 0.464 20 0 BCADHN C[C@@H]1CN(c2ccnc(N)n2)[C@H](C)CN1C ZINC001120914531 719224393 /nfs/dbraw/zinc/22/43/93/719224393.db2.gz QSXIBHGBMBVBAV-RKDXNWHRSA-N 0 3 221.308 0.588 20 0 BCADHN CN(C)Cc1ccnc(N2CC[C@@H](CO)C2)c1 ZINC001165032953 721879208 /nfs/dbraw/zinc/87/92/08/721879208.db2.gz JDEMQXKEAIDJQQ-GFCCVEGCSA-N 0 3 235.331 0.962 20 0 BCADHN C[C@H]1C(=O)NCCN1c1cc(CN(C)C)ccn1 ZINC001165036104 721883794 /nfs/dbraw/zinc/88/37/94/721883794.db2.gz JIMGWCOAOAZADE-JTQLQIEISA-N 0 3 248.330 0.468 20 0 BCADHN C[C@H](O)CCN1CCN(C[C@H]2CCOC2)CC1 ZINC000336712630 398135442 /nfs/dbraw/zinc/13/54/42/398135442.db2.gz OCKCDOHBPULIBD-QWHCGFSZSA-N 0 3 242.363 0.411 20 0 BCADHN Cc1cc(C)n(CC(=O)N(C)CCN(C)C)n1 ZINC000177687034 177921954 /nfs/dbraw/zinc/92/19/54/177921954.db2.gz HJRIYAYRJGFEDJ-UHFFFAOYSA-N 0 3 238.335 0.520 20 0 BCADHN Cc1cc(C)n(CCNC2(C(N)=O)CC2)n1 ZINC000309901949 177928253 /nfs/dbraw/zinc/92/82/53/177928253.db2.gz IDWPOZYLNSSUTA-UHFFFAOYSA-N 0 3 222.292 0.107 20 0 BCADHN CCCN1CC[C@@H](NC(=O)c2ccnnc2C)C1 ZINC000619901125 398137506 /nfs/dbraw/zinc/13/75/06/398137506.db2.gz MIYPHGJXKDBVDA-LLVKDONJSA-N 0 3 248.330 0.999 20 0 BCADHN Cc1ccc(CNC[C@@H](O)Cn2cccn2)cn1 ZINC000062053100 349436851 /nfs/dbraw/zinc/43/68/51/349436851.db2.gz IRRLMDMFPJWRBD-CYBMUJFWSA-N 0 3 246.314 0.737 20 0 BCADHN COc1ccc(CNCCC(N)=O)cn1 ZINC000062070561 349437715 /nfs/dbraw/zinc/43/77/15/349437715.db2.gz HCDNYKYJCAXXBW-UHFFFAOYSA-N 0 3 209.249 0.055 20 0 BCADHN CC(C(=O)N[C@]1(C)CCCOC1)S(C)(=O)=O ZINC000408094537 136210491 /nfs/dbraw/zinc/21/04/91/136210491.db2.gz SPVUBUZFFKAKHT-WCBMZHEXSA-N 0 3 249.332 0.105 20 0 BCADHN CCOCCCNC(=O)CN1CC[C@@H](C)C1 ZINC000548913401 398139156 /nfs/dbraw/zinc/13/91/56/398139156.db2.gz FOJVEFQNNSXPNN-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN COCCN1CCN(CC[C@@H](C)O)C(C)(C)C1 ZINC000649850956 398139518 /nfs/dbraw/zinc/13/95/18/398139518.db2.gz GUHSPPJPKIDWOH-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)Cc2cc[nH]n2)CN1C1CC1 ZINC000268012753 538916350 /nfs/dbraw/zinc/91/63/50/538916350.db2.gz UZQUAVNRRPADSY-GXSJLCMTSA-N 0 3 248.330 0.694 20 0 BCADHN CCC(CC)(CCO)CNC(=O)[C@H](CN)OC ZINC000353004255 168319096 /nfs/dbraw/zinc/31/90/96/168319096.db2.gz SYYRUGLFECVYDS-JTQLQIEISA-N 0 3 246.351 0.265 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000070941849 398141556 /nfs/dbraw/zinc/14/15/56/398141556.db2.gz ORHFBXBTHWHANA-SNVBAGLBSA-N 0 3 234.303 0.638 20 0 BCADHN C[C@@H](NC1COCCOC1)[C@@H]1CCCCO1 ZINC000379308808 398141870 /nfs/dbraw/zinc/14/18/70/398141870.db2.gz XSXKTUCCKMHXPF-PWSUYJOCSA-N 0 3 229.320 0.949 20 0 BCADHN CC(C)(N)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000649319290 398142561 /nfs/dbraw/zinc/14/25/61/398142561.db2.gz VVYAJMZRSHRYFE-UHFFFAOYSA-N 0 3 245.286 0.943 20 0 BCADHN COC[C@@]1(C(=O)Nc2ccncc2C)CCCN1 ZINC000649320711 398143745 /nfs/dbraw/zinc/14/37/45/398143745.db2.gz YHLCPLDBTONGBB-CYBMUJFWSA-N 0 3 249.314 0.519 20 0 BCADHN CCC(CC)(CNCc1cn[nH]n1)C(=O)OC ZINC000294881297 168325340 /nfs/dbraw/zinc/32/53/40/168325340.db2.gz FGSNOVWSXZLPSH-UHFFFAOYSA-N 0 3 240.307 0.874 20 0 BCADHN C[C@@H](N)C(=O)NCCCOCC1CCOCC1 ZINC000161650506 349488300 /nfs/dbraw/zinc/48/83/00/349488300.db2.gz LKUHESPLLONWBU-SNVBAGLBSA-N 0 3 244.335 0.283 20 0 BCADHN CN(C)c1ncc(CN[C@@]2(C)CCOC2)n1C ZINC000161655186 349488787 /nfs/dbraw/zinc/48/87/87/349488787.db2.gz MJLRDLXLMGEKLX-LBPRGKRZSA-N 0 3 238.335 0.755 20 0 BCADHN COC[C@@H](N[C@@H](C)C(=O)NC(C)C)C1CC1 ZINC000161715368 349489837 /nfs/dbraw/zinc/48/98/37/349489837.db2.gz RCXOSWVSLOPNLZ-GXSJLCMTSA-N 0 3 228.336 0.914 20 0 BCADHN OCCn1cc(CNC2CCCCC2)nn1 ZINC000085418709 488169850 /nfs/dbraw/zinc/16/98/50/488169850.db2.gz NEPNGITUSAUTLG-UHFFFAOYSA-N 0 3 224.308 0.693 20 0 BCADHN CCC(CC)(CO)CNCc1cnnn1C ZINC000125999276 168327791 /nfs/dbraw/zinc/32/77/91/168327791.db2.gz VUCGUUPLYPIUAZ-UHFFFAOYSA-N 0 3 226.324 0.703 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](C)N)C[C@H](C)O1 ZINC000155634703 136213274 /nfs/dbraw/zinc/21/32/74/136213274.db2.gz DOYUPKHXYCNGCM-DJLDLDEBSA-N 0 3 200.282 0.360 20 0 BCADHN CC[C@H](N)C(=O)N1C[C@@H](CC)O[C@@H](C)C1 ZINC000155637084 136213290 /nfs/dbraw/zinc/21/32/90/136213290.db2.gz HLBAPUUKUZSFLL-AEJSXWLSSA-N 0 3 214.309 0.750 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](C)N)C[C@@H](C)O1 ZINC000155633884 136213307 /nfs/dbraw/zinc/21/33/07/136213307.db2.gz DOYUPKHXYCNGCM-HRDYMLBCSA-N 0 3 200.282 0.360 20 0 BCADHN OCCCN1CCC[C@@H](N2CCOCC2)C1 ZINC000257775565 349483786 /nfs/dbraw/zinc/48/37/86/349483786.db2.gz WIKHTZPSYVYXBT-GFCCVEGCSA-N 0 3 228.336 0.165 20 0 BCADHN O=C(CNC1CC1)NCCC(F)(F)F ZINC000063101007 349506093 /nfs/dbraw/zinc/50/60/93/349506093.db2.gz OXNJXXIDAIAOLY-UHFFFAOYSA-N 0 3 210.199 0.807 20 0 BCADHN C[C@@H](CCO)N(C)Cc1ccc(C(N)=O)cc1 ZINC000649865708 398148007 /nfs/dbraw/zinc/14/80/07/398148007.db2.gz AKLJCEXPJYOLDN-JTQLQIEISA-N 0 3 236.315 0.988 20 0 BCADHN O[C@@]1(CNCc2cncs2)CCOC1 ZINC000229638363 136214624 /nfs/dbraw/zinc/21/46/24/136214624.db2.gz LCSRHAIXCHAPCS-SECBINFHSA-N 0 3 214.290 0.384 20 0 BCADHN NC(=O)CCN[C@H](CO)c1ccccc1 ZINC000063001935 349503116 /nfs/dbraw/zinc/50/31/16/349503116.db2.gz HILMOABCYXPELO-SNVBAGLBSA-N 0 3 208.261 0.185 20 0 BCADHN NC(=O)CCN[C@@H](CO)c1ccccc1 ZINC000063001936 349503534 /nfs/dbraw/zinc/50/35/34/349503534.db2.gz HILMOABCYXPELO-JTQLQIEISA-N 0 3 208.261 0.185 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)[C@@H](N)CC(F)F ZINC000379506389 398149595 /nfs/dbraw/zinc/14/95/95/398149595.db2.gz QJLZFYZLAHMZFG-DSYKOEDSSA-N 0 3 206.236 0.884 20 0 BCADHN CS[C@@H](C)CNC(=O)[C@]1(F)CCNC1 ZINC000125429354 398151151 /nfs/dbraw/zinc/15/11/51/398151151.db2.gz YUTNVXPNTCSLAU-CBAPKCEASA-N 0 3 220.313 0.556 20 0 BCADHN OCCN(CCO)CCc1ccc(F)c(F)c1 ZINC000152035417 398151475 /nfs/dbraw/zinc/15/14/75/398151475.db2.gz RAVXEZWCGPQAMX-UHFFFAOYSA-N 0 3 245.269 0.794 20 0 BCADHN O=C(c1ccn[nH]1)N1CCN2CCC1CC2 ZINC000059202962 349504844 /nfs/dbraw/zinc/50/48/44/349504844.db2.gz OPTVMVACKMFQQT-UHFFFAOYSA-N 0 3 220.276 0.330 20 0 BCADHN Cc1c(CN(C)[C@@H](C)CCO)cnn1C ZINC000649868788 398152534 /nfs/dbraw/zinc/15/25/34/398152534.db2.gz NISQPVMTCVSWNK-VIFPVBQESA-N 0 3 211.309 0.931 20 0 BCADHN Cc1cc(CNC(=O)C2(N)CCCC2)on1 ZINC000045007043 178011157 /nfs/dbraw/zinc/01/11/57/178011157.db2.gz WTXYZDGAXPCAAJ-UHFFFAOYSA-N 0 3 223.276 0.871 20 0 BCADHN C[C@H](CCO)N(C)Cc1ccnc(N)c1 ZINC000649871399 398155536 /nfs/dbraw/zinc/15/55/36/398155536.db2.gz ZYLZFNGXRLTIEW-SECBINFHSA-N 0 3 209.293 0.697 20 0 BCADHN CCOCC[C@H](O)CN1CC([C@H]2CCOC2)C1 ZINC000366492861 398167789 /nfs/dbraw/zinc/16/77/89/398167789.db2.gz NNVQWEDPJXHOPU-AAEUAGOBSA-N 0 3 243.347 0.742 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCC[C@H]1CCCO1 ZINC000162223023 538921690 /nfs/dbraw/zinc/92/16/90/538921690.db2.gz MCTVRLNZIRUDRZ-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN CC[C@@](C)(O)CNC(=O)NC1CCN(C)CC1 ZINC000105079965 136215026 /nfs/dbraw/zinc/21/50/26/136215026.db2.gz VJMBTGUAJJIODF-GFCCVEGCSA-N 0 3 243.351 0.541 20 0 BCADHN Cc1cc(CN[C@@H]2CCCOC2)n(C)n1 ZINC000084244551 178033148 /nfs/dbraw/zinc/03/31/48/178033148.db2.gz TTXCQRRAWWESSU-SNVBAGLBSA-N 0 3 209.293 0.997 20 0 BCADHN CC(C)[C@@H](N)C(=O)N(C)C[C@H]1CCCCO1 ZINC000042466052 398172982 /nfs/dbraw/zinc/17/29/82/398172982.db2.gz XBWMYHYYBNUPAB-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN Cc1ncc(CNCCc2cncn2C)cn1 ZINC000623086866 398174516 /nfs/dbraw/zinc/17/45/16/398174516.db2.gz OFAQUULWETVNAQ-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN CN(C)c1ncc(CN[C@@H]2CC[C@H]2O)n1C ZINC000424204557 398174813 /nfs/dbraw/zinc/17/48/13/398174813.db2.gz SZDVXLRFESIDDK-NXEZZACHSA-N 0 3 224.308 0.099 20 0 BCADHN COC[C@H](CO)N[C@@H](C)[C@@H]1CCCO1 ZINC000308712441 136216470 /nfs/dbraw/zinc/21/64/70/136216470.db2.gz ZNFJFBVXYUJDRB-GUBZILKMSA-N 0 3 203.282 0.151 20 0 BCADHN Cc1nnsc1CNC[C@]1(O)CCOC1 ZINC000379884127 398175506 /nfs/dbraw/zinc/17/55/06/398175506.db2.gz XFECLGHPCDRBOW-SECBINFHSA-N 0 3 229.305 0.088 20 0 BCADHN COc1cccc([C@@H](CO)NC[C@H](C)O)c1 ZINC000390485662 398176602 /nfs/dbraw/zinc/17/66/02/398176602.db2.gz OONBBLKQODTTLI-JOYOIKCWSA-N 0 3 225.288 0.699 20 0 BCADHN O[C@@H]1CC[C@H]1NCc1cnc(C2CC2)nc1 ZINC000424207709 398177553 /nfs/dbraw/zinc/17/75/53/398177553.db2.gz YCGAVTMRHNJMNT-GHMZBOCLSA-N 0 3 219.288 0.967 20 0 BCADHN Cn1ncc(CNCC2=CCN(C)CC2)n1 ZINC000293229678 398180255 /nfs/dbraw/zinc/18/02/55/398180255.db2.gz KPUKXDKGYJWTMO-UHFFFAOYSA-N 0 3 221.308 0.167 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H](C)N1CCCC1)N(C)C ZINC000533123757 398183915 /nfs/dbraw/zinc/18/39/15/398183915.db2.gz RIRGRGVVHTYHJH-NEPJUHHUSA-N 0 3 241.379 0.927 20 0 BCADHN Cc1cc(C[C@@H](C)NC(=O)CN(C)C)n[nH]1 ZINC000161858055 178054682 /nfs/dbraw/zinc/05/46/82/178054682.db2.gz JHNBQTIFRKWYRN-MRVPVSSYSA-N 0 3 224.308 0.327 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)C[C@H](O)C1CC1 ZINC000649342511 398160000 /nfs/dbraw/zinc/16/00/00/398160000.db2.gz SFWDKEXEXWFEIH-WDEREUQCSA-N 0 3 215.293 0.029 20 0 BCADHN CC1(OCC(=O)NCC2(C(F)F)CC2)CNC1 ZINC000638722488 398161867 /nfs/dbraw/zinc/16/18/67/398161867.db2.gz YPCFZXFVIPIPLJ-UHFFFAOYSA-N 0 3 248.273 0.526 20 0 BCADHN C[C@@H](O)C1CCN(CCn2cncn2)CC1 ZINC000309059386 136217618 /nfs/dbraw/zinc/21/76/18/136217618.db2.gz OSSWUAKETLMJMS-SNVBAGLBSA-N 0 3 224.308 0.371 20 0 BCADHN 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ZINC000629969361 361817540 /nfs/dbraw/zinc/81/75/40/361817540.db2.gz QDBUCURKGMKODS-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN COC(=O)[C@@H](O)C1CCN(C[C@@H](C)OC)CC1 ZINC000182356687 398241335 /nfs/dbraw/zinc/24/13/35/398241335.db2.gz KBGZMOKMYDMWFU-KOLCDFICSA-N 0 3 245.319 0.267 20 0 BCADHN CC[C@@H](C(=O)N(C)C[C@@H]1CCOC1)N(C)C ZINC000126462189 323003720 /nfs/dbraw/zinc/00/37/20/323003720.db2.gz OKZCYWATQUFUAH-QWRGUYRKSA-N 0 3 228.336 0.822 20 0 BCADHN CN(CC(=O)N1CC[C@@H](O)C1)C1CCC1 ZINC000629970596 361819609 /nfs/dbraw/zinc/81/96/09/361819609.db2.gz MLNYVXKCMFVGLD-SNVBAGLBSA-N 0 3 212.293 0.064 20 0 BCADHN CN(CC(=O)N1CCC[C@@](C)(O)C1)C1CCC1 ZINC000629976324 361820815 /nfs/dbraw/zinc/82/08/15/361820815.db2.gz IUCASEXVVJJSJZ-CYBMUJFWSA-N 0 3 240.347 0.844 20 0 BCADHN COC[C@@H](C)NC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000229221391 259307985 /nfs/dbraw/zinc/30/79/85/259307985.db2.gz IKZLJUXMXZTUAV-IVZWLZJFSA-N 0 3 214.309 0.526 20 0 BCADHN COc1cc(-c2noc(C(C)(C)CN)n2)ncn1 ZINC000230142638 136227980 /nfs/dbraw/zinc/22/79/80/136227980.db2.gz QCAAGMBUQWHMRN-UHFFFAOYSA-N 0 3 249.274 0.772 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H](CO)Cc1ccco1 ZINC000645409746 398248335 /nfs/dbraw/zinc/24/83/35/398248335.db2.gz AODLWLNKRFNZPP-VIFPVBQESA-N 0 3 240.303 0.284 20 0 BCADHN CNC(=O)CCCN1CCN(C)[C@H](C)[C@H]1C ZINC000576594394 365634494 /nfs/dbraw/zinc/63/44/94/365634494.db2.gz XHSDADSATODIOK-GHMZBOCLSA-N 0 3 227.352 0.537 20 0 BCADHN CNC(=O)CCCN1CCN(C)[C@@H](C)[C@@H]1C ZINC000576594396 365634865 /nfs/dbraw/zinc/63/48/65/365634865.db2.gz XHSDADSATODIOK-QWRGUYRKSA-N 0 3 227.352 0.537 20 0 BCADHN CO[C@@H](CN[C@@H](C)C(=O)N(C)C)[C@@H]1CCOC1 ZINC000639101391 398246441 /nfs/dbraw/zinc/24/64/41/398246441.db2.gz ZXSGTFXDNQEUKG-AXFHLTTASA-N 0 3 244.335 0.104 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000229706744 259310659 /nfs/dbraw/zinc/31/06/59/259310659.db2.gz IGICPJOORVTMSD-MRTMQBJTSA-N 0 3 224.308 0.960 20 0 BCADHN CCN[C@H](C)C(=O)NCCCCCC(=O)OC ZINC000602431848 349536773 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248.326 0.967 20 0 BCADHN COC(=O)c1[nH]c(CNCC[C@@H](C)O)cc1C ZINC000602570180 349620721 /nfs/dbraw/zinc/62/07/21/349620721.db2.gz WIZHBPBBGCFMOQ-SECBINFHSA-N 0 3 240.303 0.970 20 0 BCADHN C[C@@](O)(C[C@H](O)CN(CCO)C1CC1)C1CC1 ZINC000630035275 361907459 /nfs/dbraw/zinc/90/74/59/361907459.db2.gz HJXBSKDBRGZAEF-QWHCGFSZSA-N 0 3 243.347 0.355 20 0 BCADHN C[C@@H]1C[C@H](C)N1C[C@H](O)CC1(O)CCOCC1 ZINC000630042024 361908794 /nfs/dbraw/zinc/90/87/94/361908794.db2.gz NXRWQXBUECBFGU-GRYCIOLGSA-N 0 3 243.347 0.762 20 0 BCADHN C[C@@](O)(C[C@@H](O)CN1CC[C@](C)(O)C1)C1CC1 ZINC000630040807 361909082 /nfs/dbraw/zinc/90/90/82/361909082.db2.gz JNFCHWGKKUWWIX-FRRDWIJNSA-N 0 3 243.347 0.355 20 0 BCADHN C[C@@H]1C[C@@H]1CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000348765604 136238420 /nfs/dbraw/zinc/23/84/20/136238420.db2.gz RPIQJMVYDFZCLE-LMLFDSFASA-N 0 3 229.345 0.761 20 0 BCADHN C[C@@H]1C[C@@H](C)N1C[C@@H](O)CC1(O)CCOCC1 ZINC000630042027 361909841 /nfs/dbraw/zinc/90/98/41/361909841.db2.gz NXRWQXBUECBFGU-UTUOFQBUSA-N 0 3 243.347 0.762 20 0 BCADHN CCC[C@H](C)N1CCN2C(=O)NC[C@@H]2C1 ZINC000187712809 538976950 /nfs/dbraw/zinc/97/69/50/538976950.db2.gz CLGXQFFSIMISMP-VHSXEESVSA-N 0 3 211.309 0.884 20 0 BCADHN O=S1(=O)CCC[C@H](N[C@H](CO)CC2CC2)C1 ZINC000379464884 538977568 /nfs/dbraw/zinc/97/75/68/538977568.db2.gz WLPXGURAQLHVAU-QWRGUYRKSA-N 0 3 247.360 0.314 20 0 BCADHN CCO[C@@H]1CCCN(C[C@@H](O)COC)C1 ZINC000126987308 342810091 /nfs/dbraw/zinc/81/00/91/342810091.db2.gz GMCKBYJGGUYBJE-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN CCN1CCCN(C(=O)[C@H]2CO[C@H](C)C2)CC1 ZINC000336608606 342812468 /nfs/dbraw/zinc/81/24/68/342812468.db2.gz RSHQBKMPXHUSIX-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN O=C1CC[C@@H](CN2CCC[C@@H](c3cc[nH]n3)C2)N1 ZINC000649490598 398287683 /nfs/dbraw/zinc/28/76/83/398287683.db2.gz LCPREWDDWZUTMU-MNOVXSKESA-N 0 3 248.330 0.868 20 0 BCADHN CN1CC[C@H](c2nc(-c3cncnc3)no2)C1 ZINC000624663496 342812761 /nfs/dbraw/zinc/81/27/61/342812761.db2.gz 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BCADHN CCC(=O)N1CC[C@H](NC(=O)CNC(C)C)C1 ZINC000566748396 323013019 /nfs/dbraw/zinc/01/30/19/323013019.db2.gz JMVDJDMUBYVGBP-JTQLQIEISA-N 0 3 241.335 0.112 20 0 BCADHN CC1(C)CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000336392461 342805255 /nfs/dbraw/zinc/80/52/55/342805255.db2.gz HNFOIBPCUYVZOF-LURJTMIESA-N 0 3 240.225 0.513 20 0 BCADHN CN(C[C@@H]1CCC(=O)N1)C[C@@H]1CCCCO1 ZINC000649494251 398289551 /nfs/dbraw/zinc/28/95/51/398289551.db2.gz HLQIBTUIKBMDDW-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN CCc1cc(NC(=O)[C@H](N)CCSC)n[nH]1 ZINC000157226318 344003976 /nfs/dbraw/zinc/00/39/76/344003976.db2.gz WYKHWHYGHOGNMU-MRVPVSSYSA-N 0 3 242.348 0.991 20 0 BCADHN CCn1nc(C)cc1C(=O)NC[C@H](C)N(C)C ZINC000624776948 342828127 /nfs/dbraw/zinc/82/81/27/342828127.db2.gz VMHOKBJKNIDWQA-JTQLQIEISA-N 0 3 238.335 0.891 20 0 BCADHN C[C@H]1CN(C)C[C@@H]1NC[C@@H](O)C(F)(F)F ZINC000380288644 538988418 /nfs/dbraw/zinc/98/84/18/538988418.db2.gz BALDNUSJJNPFJN-BIIVOSGPSA-N 0 3 226.242 0.449 20 0 BCADHN CC[C@@H]1CN(C[C@H]2CN(C)C(=O)O2)C[C@H]1O ZINC000496878284 529396333 /nfs/dbraw/zinc/39/63/33/529396333.db2.gz YXVDSTSBSJCMRE-OPRDCNLKSA-N 0 3 228.292 0.140 20 0 BCADHN CCN(C)CCNC(=O)[C@@H](NC(C)=O)C(C)C ZINC000066959334 361930276 /nfs/dbraw/zinc/93/02/76/361930276.db2.gz MPHFVMKUZMECAU-NSHDSACASA-N 0 3 243.351 0.215 20 0 BCADHN CCN(C)CCNC(=O)[C@H](NC(C)=O)C(C)C ZINC000066959333 361930819 /nfs/dbraw/zinc/93/08/19/361930819.db2.gz MPHFVMKUZMECAU-LLVKDONJSA-N 0 3 243.351 0.215 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]1O ZINC000634414156 361932480 /nfs/dbraw/zinc/93/24/80/361932480.db2.gz LYVPFOMAMCIZNQ-WPRPVWTQSA-N 0 3 223.276 0.290 20 0 BCADHN Cn1nncc1CN[C@@H](CO)CC1CC1 ZINC000379981740 538983434 /nfs/dbraw/zinc/98/34/34/538983434.db2.gz HULNNDSRPWMEKK-SECBINFHSA-N 0 3 210.281 0.066 20 0 BCADHN Cc1c(C(=O)N2C[C@H](C)NC[C@H]2C)cnn1C ZINC000086467700 398292138 /nfs/dbraw/zinc/29/21/38/398292138.db2.gz ZXKPCJDATHRLFA-DTWKUNHWSA-N 0 3 236.319 0.551 20 0 BCADHN C[C@@H](CO)CN[C@@H](CCO)c1ccco1 ZINC000380115671 538985111 /nfs/dbraw/zinc/98/51/11/538985111.db2.gz PKAKWECRQCEMIX-ZJUUUORDSA-N 0 3 213.277 0.921 20 0 BCADHN CCOC[C@H](O)CNCc1cc(C)ccn1 ZINC000393940137 344005608 /nfs/dbraw/zinc/00/56/08/344005608.db2.gz HDHVOTGDCXKAGW-GFCCVEGCSA-N 0 3 224.304 0.877 20 0 BCADHN Cn1nccc1CNCCCn1cncn1 ZINC000381478476 539001612 /nfs/dbraw/zinc/00/16/12/539001612.db2.gz BKXGBEJOEIRZHX-UHFFFAOYSA-N 0 3 220.280 0.192 20 0 BCADHN OCC1(CNCc2ccc(O)cc2)COC1 ZINC000381509141 539002852 /nfs/dbraw/zinc/00/28/52/539002852.db2.gz VFUPEVGPJBHFOH-UHFFFAOYSA-N 0 3 223.272 0.491 20 0 BCADHN OCC[C@@]1(CNCc2cn[nH]c2)CCOC1 ZINC000381639642 539005094 /nfs/dbraw/zinc/00/50/94/539005094.db2.gz ZHVVAZQZTQFCQB-NSHDSACASA-N 0 3 225.292 0.288 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000335628078 136241164 /nfs/dbraw/zinc/24/11/64/136241164.db2.gz LMAMXMWJBQDEIR-UWVGGRQHSA-N 0 3 226.320 0.751 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@@H](C)OC[C@H]1CC ZINC000036871803 342838439 /nfs/dbraw/zinc/83/84/39/342838439.db2.gz RGUYXKAJAPLAEC-OPRDCNLKSA-N 0 3 214.309 0.750 20 0 BCADHN CCn1ncnc1CN[C@H](C)CCCCO ZINC000381789132 539007111 /nfs/dbraw/zinc/00/71/11/539007111.db2.gz ZPZXJURHOBGEAV-SNVBAGLBSA-N 0 3 226.324 0.939 20 0 BCADHN CCOCC(=O)N(CC)C1CCN(C)CC1 ZINC000627621299 342835473 /nfs/dbraw/zinc/83/54/73/342835473.db2.gz MYPYPXOEQXHYLK-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000036871209 398295881 /nfs/dbraw/zinc/29/58/81/398295881.db2.gz SZXUKDUAQOGJIF-SECBINFHSA-N 0 3 221.260 0.461 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H]2CCNC2=O)C1(C)C ZINC000390586957 539026302 /nfs/dbraw/zinc/02/63/02/539026302.db2.gz YKOQCNBIMFLVSH-OPRDCNLKSA-N 0 3 226.320 0.668 20 0 BCADHN C[C@@H]1CSC[C@H]1NCC(=O)Nc1ccon1 ZINC000390608741 539026479 /nfs/dbraw/zinc/02/64/79/539026479.db2.gz DKZHASCIVCOMEX-HTQZYQBOSA-N 0 3 241.316 0.376 20 0 BCADHN Cn1cncc1CNC[C@@H]1CCCC(=O)N1 ZINC000390814229 539027595 /nfs/dbraw/zinc/02/75/95/539027595.db2.gz GGWNFFCVSACGLS-VIFPVBQESA-N 0 3 222.292 0.178 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)CCC1(O)CCC1 ZINC000631285873 342839754 /nfs/dbraw/zinc/83/97/54/342839754.db2.gz SNDLLGQJVQNGBC-LLVKDONJSA-N 0 3 240.347 0.892 20 0 BCADHN CCC1(CC)[C@H](NCC(N)=O)C[C@@H]1OC ZINC000191364160 398298025 /nfs/dbraw/zinc/29/80/25/398298025.db2.gz XTHVRVUBOQDCNU-BDAKNGLRSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@@H]1CN(CCn2ccccc2=O)C[C@H]1O ZINC000388095019 539014587 /nfs/dbraw/zinc/01/45/87/539014587.db2.gz VZROPLFOJGQGDK-GHMZBOCLSA-N 0 3 222.288 0.161 20 0 BCADHN C[C@H]1C[C@H](NCc2ncnn2C)CN1C1CC1 ZINC000389302550 539015998 /nfs/dbraw/zinc/01/59/98/539015998.db2.gz IWJZWBOPERUPAA-UWVGGRQHSA-N 0 3 235.335 0.530 20 0 BCADHN COC[C@H](NC1CSC1)[C@@H]1CCCO1 ZINC000389338362 539016298 /nfs/dbraw/zinc/01/62/98/539016298.db2.gz XFEFSCCMGGBVFF-UWVGGRQHSA-N 0 3 217.334 0.885 20 0 BCADHN C[C@H]1C[C@H](NCc2cn(C)nn2)CN1C1CC1 ZINC000389808352 539017142 /nfs/dbraw/zinc/01/71/42/539017142.db2.gz BAYFKTXQLUCKBH-UWVGGRQHSA-N 0 3 235.335 0.530 20 0 BCADHN C[C@H](c1cnn(C)c1)N(C)CCC(=O)N(C)C ZINC000348842616 136241959 /nfs/dbraw/zinc/24/19/59/136241959.db2.gz IWMAPVDYIFLRBN-SNVBAGLBSA-N 0 3 238.335 0.891 20 0 BCADHN CNC(=O)C(C)(C)CNCc1cn[nH]c1 ZINC000389889279 539018254 /nfs/dbraw/zinc/01/82/54/539018254.db2.gz URSBCPYSQIZPGB-UHFFFAOYSA-N 0 3 210.281 0.272 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2)CO1 ZINC000402105623 349628803 /nfs/dbraw/zinc/62/88/03/349628803.db2.gz VYBGRZUMNZDNLB-AEJSXWLSSA-N 0 3 212.293 0.422 20 0 BCADHN C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2)CO1 ZINC000402105625 349631101 /nfs/dbraw/zinc/63/11/01/349631101.db2.gz VYBGRZUMNZDNLB-GUBZILKMSA-N 0 3 212.293 0.422 20 0 BCADHN C[C@H](Cc1cnccn1)N[C@H](C)C[S@@](C)=O ZINC000602607926 349630625 /nfs/dbraw/zinc/63/06/25/349630625.db2.gz KXNZCFLXWXINOO-XIZWVBILSA-N 0 3 241.360 0.764 20 0 BCADHN CCO[C@@H](CN(CC(N)=O)C(C)C)C1CC1 ZINC000625055479 342846831 /nfs/dbraw/zinc/84/68/31/342846831.db2.gz JGAQBLMUBYOESC-NSHDSACASA-N 0 3 228.336 0.997 20 0 BCADHN O[C@H]1CCCN(CCOC2CCOCC2)C1 ZINC000625066118 342848132 /nfs/dbraw/zinc/84/81/32/342848132.db2.gz UJKQAUCGKGLYIM-NSHDSACASA-N 0 3 229.320 0.639 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCC(=O)N2)CCS1 ZINC000649508748 398302005 /nfs/dbraw/zinc/30/20/05/398302005.db2.gz DTTSXRURBDCZJK-BDAKNGLRSA-N 0 3 214.334 0.702 20 0 BCADHN O[C@@H](CN1CCSCC1)CC1(O)CCC1 ZINC000625081895 342850065 /nfs/dbraw/zinc/85/00/65/342850065.db2.gz FYUQVGJVFSDXON-SNVBAGLBSA-N 0 3 231.361 0.701 20 0 BCADHN C[C@H](O)CNCc1cnc(-c2cnn(C)c2)nc1 ZINC000353933141 136242816 /nfs/dbraw/zinc/24/28/16/136242816.db2.gz ONXTVVGOZAXCOA-VIFPVBQESA-N 0 3 247.302 0.348 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC(C)(C)OC ZINC000133471414 398311068 /nfs/dbraw/zinc/31/10/68/398311068.db2.gz LCSUJFUARWRSBX-BDAKNGLRSA-N 0 3 216.325 0.901 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCC(C)(C)OC ZINC000133471816 398311085 /nfs/dbraw/zinc/31/10/85/398311085.db2.gz LCSUJFUARWRSBX-RKDXNWHRSA-N 0 3 216.325 0.901 20 0 BCADHN CO[C@H]1CCCN(C[C@@H]2CCC(=O)N2)C1 ZINC000649508008 398302970 /nfs/dbraw/zinc/30/29/70/398302970.db2.gz HRTPVWZAFKPKOG-UWVGGRQHSA-N 0 3 212.293 0.376 20 0 BCADHN CC[C@H](C)NC(=O)CN1CC[C@H](CO)[C@H]1CC ZINC000385941634 342875813 /nfs/dbraw/zinc/87/58/13/342875813.db2.gz WEQXSUUQKMTILS-QJPTWQEYSA-N 0 3 242.363 0.994 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)CC1CSC1 ZINC000631286827 342856384 /nfs/dbraw/zinc/85/63/84/342856384.db2.gz ZVTJQNXSIXCBIY-SNVBAGLBSA-N 0 3 228.361 0.950 20 0 BCADHN CC(C)(O)CCNC[C@@H](O)C(F)(F)F ZINC000232557434 342857426 /nfs/dbraw/zinc/85/74/26/342857426.db2.gz SSTYUXWORWYSQS-ZCFIWIBFSA-N 0 3 215.215 0.660 20 0 BCADHN COCCN(C)C[C@@H](O)CC1(O)CCC1 ZINC000625104574 342858019 /nfs/dbraw/zinc/85/80/19/342858019.db2.gz BWQPLDSSALRMIU-JTQLQIEISA-N 0 3 217.309 0.231 20 0 BCADHN CN(CCn1ccnc1)C1(C(N)=O)CCCC1 ZINC000093214671 398310012 /nfs/dbraw/zinc/31/00/12/398310012.db2.gz HQTUAMZYIJUEPH-UHFFFAOYSA-N 0 3 236.319 0.613 20 0 BCADHN Cc1noc(NC(=O)N2C[C@@H](C)NC[C@@H]2C)n1 ZINC000333172746 398316408 /nfs/dbraw/zinc/31/64/08/398316408.db2.gz OBRHMXSLCMUIOX-RQJHMYQMSA-N 0 3 239.279 0.014 20 0 BCADHN CCN(CC)C(=O)[C@H]1CCCN1C(=O)CNC ZINC000236800170 398316732 /nfs/dbraw/zinc/31/67/32/398316732.db2.gz HUUVQFBJOQAKFZ-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CN(CCc1cn(C)nn1)[C@@H]1CCOC1 ZINC000625156055 342895784 /nfs/dbraw/zinc/89/57/84/342895784.db2.gz ULHIEORSWNOFSA-SNVBAGLBSA-N 0 3 210.281 0.078 20 0 BCADHN Cc1ncc(CC(=O)NC[C@H](C)N(C)C)o1 ZINC000639520490 398318786 /nfs/dbraw/zinc/31/87/86/398318786.db2.gz SGUHUXXMOVLIAT-QMMMGPOBSA-N 0 3 225.292 0.592 20 0 BCADHN COC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000034181577 342880385 /nfs/dbraw/zinc/88/03/85/342880385.db2.gz MSJQGHXFANABFS-YUMQZZPRSA-N 0 3 216.281 0.038 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1CCCO ZINC000650583352 398311692 /nfs/dbraw/zinc/31/16/92/398311692.db2.gz JCIGUNAEXJAXNG-GRYCIOLGSA-N 0 3 240.347 0.605 20 0 BCADHN COC[C@H](C)N[C@@H](Cc1ccccc1)C(N)=O ZINC000351387328 136245754 /nfs/dbraw/zinc/24/57/54/136245754.db2.gz PPTOYDNPESPMFK-JQWIXIFHSA-N 0 3 236.315 0.708 20 0 BCADHN C[C@@H]1CN(CCc2cn(C)nn2)CCCO1 ZINC000625132273 342886000 /nfs/dbraw/zinc/88/60/00/342886000.db2.gz GDJUICMZYIBFOL-SNVBAGLBSA-N 0 3 224.308 0.468 20 0 BCADHN CO[C@@H]1C[C@@H](NCc2cnnn2C)C1(C)C ZINC000227830549 398321291 /nfs/dbraw/zinc/32/12/91/398321291.db2.gz ZJUIRWHOVZRSMU-NXEZZACHSA-N 0 3 224.308 0.718 20 0 BCADHN O[C@H]1CCN(CCOC2CCOCC2)C1 ZINC000625138202 342887157 /nfs/dbraw/zinc/88/71/57/342887157.db2.gz NCPOOORHVSSDGX-JTQLQIEISA-N 0 3 215.293 0.249 20 0 BCADHN COCCN(C)CCNC(=O)c1cocc1C ZINC000625137697 342888082 /nfs/dbraw/zinc/88/80/82/342888082.db2.gz PMEIPLDALREKBH-UHFFFAOYSA-N 0 3 240.303 0.896 20 0 BCADHN O=C(CN1CCNCC1)NCC1CCCC1 ZINC000037259095 398313848 /nfs/dbraw/zinc/31/38/48/398313848.db2.gz GRZGCRGXSWCRCI-UHFFFAOYSA-N 0 3 225.336 0.198 20 0 BCADHN CNC(=O)CCN(C)CCOC1CCOCC1 ZINC000625139917 342889567 /nfs/dbraw/zinc/88/95/67/342889567.db2.gz ROWAAICXEGDTEJ-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN C[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000150111540 398314183 /nfs/dbraw/zinc/31/41/83/398314183.db2.gz OWAPJHYKENVPFV-SECBINFHSA-N 0 3 220.272 0.826 20 0 BCADHN CCN(C)C(=O)CN[C@@H](C)[C@@H]1CCCO1 ZINC000035735543 342890964 /nfs/dbraw/zinc/89/09/64/342890964.db2.gz RARZXBCQGVMIKI-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN CCCCCC(=O)NC[C@H]1CNCCO1 ZINC000036284919 342907323 /nfs/dbraw/zinc/90/73/23/342907323.db2.gz GEKQSWIXAVCXIK-SNVBAGLBSA-N 0 3 214.309 0.671 20 0 BCADHN C[C@@H](NCCC(N)=O)c1cccc(O)c1 ZINC000036746967 342910546 /nfs/dbraw/zinc/91/05/46/342910546.db2.gz CZEIDIGLVMUETJ-MRVPVSSYSA-N 0 3 208.261 0.918 20 0 BCADHN CC(C)NCC(=O)N[C@H](C)Cn1ccnc1 ZINC000037477209 488186392 /nfs/dbraw/zinc/18/63/92/488186392.db2.gz SJLQYWCSRHCOBS-SNVBAGLBSA-N 0 3 224.308 0.386 20 0 BCADHN CC[C@@H](N)C(=O)NCC(C)(C)CCOC ZINC000233876503 342913214 /nfs/dbraw/zinc/91/32/14/342913214.db2.gz STYULYXGSPEWGH-SECBINFHSA-N 0 3 216.325 0.903 20 0 BCADHN CN([C@@H]1CCN(C2CC2)C1=O)[C@@H]1CCC[C@@H]1O ZINC000352660708 398323400 /nfs/dbraw/zinc/32/34/00/398323400.db2.gz PKHROPRVSFVYPM-UTUOFQBUSA-N 0 3 238.331 0.595 20 0 BCADHN CCCCCN(CCO)CCc1cn(C)nn1 ZINC000625172975 342900540 /nfs/dbraw/zinc/90/05/40/342900540.db2.gz SJXMJOMZGNTDFM-UHFFFAOYSA-N 0 3 240.351 0.842 20 0 BCADHN COC(=O)C(C)(C)CCN(C)[C@H]1COC[C@@H]1O ZINC000352800817 398323620 /nfs/dbraw/zinc/32/36/20/398323620.db2.gz QBBNBGBEZJSEKP-UWVGGRQHSA-N 0 3 245.319 0.267 20 0 BCADHN C[C@@H]1CN(Cc2cnnn2C)[C@H](C)CN1C ZINC000351572296 136246930 /nfs/dbraw/zinc/24/69/30/136246930.db2.gz CUNFQSDQGRWATI-NXEZZACHSA-N 0 3 223.324 0.340 20 0 BCADHN CN(C[C@@H](O)CC1(O)CCC1)C[C@@H](O)C1CC1 ZINC000625225265 342922197 /nfs/dbraw/zinc/92/21/97/342922197.db2.gz VBGDMUITFKDZJK-NWDGAFQWSA-N 0 3 243.347 0.355 20 0 BCADHN CCO[C@@H](CN(C)CC(C)(CO)CO)C1CC1 ZINC000625227462 342922379 /nfs/dbraw/zinc/92/23/79/342922379.db2.gz OKPORSWTAJWSPI-LBPRGKRZSA-N 0 3 245.363 0.724 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)C(C)(C)CO ZINC000133511182 398325651 /nfs/dbraw/zinc/32/56/51/398325651.db2.gz DXOLECWLXWEWNN-VIFPVBQESA-N 0 3 233.308 0.003 20 0 BCADHN CCc1nn(C)cc1CN1C[C@H](O)C[C@H]1C ZINC000682644441 488187393 /nfs/dbraw/zinc/18/73/93/488187393.db2.gz HFOZOXZVNJZKRG-MWLCHTKSSA-N 0 3 223.320 0.938 20 0 BCADHN CO[C@@H]1CCCC[C@@H]1NCC(=O)N(C)C ZINC000037254414 342926041 /nfs/dbraw/zinc/92/60/41/342926041.db2.gz YXICRLAYZSXOIT-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN COC(=O)CCCN1CCC(CO)CC1 ZINC000037286371 342926370 /nfs/dbraw/zinc/92/63/70/342926370.db2.gz LAOAPVZDJCUHAJ-UHFFFAOYSA-N 0 3 215.293 0.644 20 0 BCADHN CC(C)NCC(=O)NCCc1ccccn1 ZINC000037477086 488186683 /nfs/dbraw/zinc/18/66/83/488186683.db2.gz ZQLRMQFOEMAGCJ-UHFFFAOYSA-N 0 3 221.304 0.738 20 0 BCADHN COC(=O)C(C)(C)NC1CCN(C)CC1 ZINC000037085269 342918100 /nfs/dbraw/zinc/91/81/00/342918100.db2.gz NYIXJLFDRSSJFF-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN CN1CCC(NC(=O)[C@]2(C)CCCO2)CC1 ZINC000151574022 323019205 /nfs/dbraw/zinc/01/92/05/323019205.db2.gz BSGLCVRBHNADLP-LBPRGKRZSA-N 0 3 226.320 0.766 20 0 BCADHN CCN(CC)CCN(C)[C@H]1CCCCNC1=O ZINC000119620708 398326816 /nfs/dbraw/zinc/32/68/16/398326816.db2.gz PTOBPOKLAWIDHB-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CC[C@]1(O)CCN(C(=O)/C=C/CN(C)C)C1 ZINC000492720231 529433864 /nfs/dbraw/zinc/43/38/64/529433864.db2.gz PNPHZRPKKPTBEU-FYJFLYSWSA-N 0 3 226.320 0.478 20 0 BCADHN CN(C(=O)N1CCOCC1)[C@H]1CCCN(C)C1 ZINC000164272350 398328030 /nfs/dbraw/zinc/32/80/30/398328030.db2.gz XJKDOQVZAKSYKD-NSHDSACASA-N 0 3 241.335 0.465 20 0 BCADHN CC(C)[C@@H](N)c1cn([C@@H]2CCOC2)nn1 ZINC000300739415 398328229 /nfs/dbraw/zinc/32/82/29/398328229.db2.gz AQNWIBSOWIIJQW-PSASIEDQSA-N 0 3 210.281 0.895 20 0 BCADHN CCC[C@H](C)N1C[C@H](O)C[C@H]1C(N)=O ZINC000528638249 323019540 /nfs/dbraw/zinc/01/95/40/323019540.db2.gz YXFNWDFYRDSVCS-YIZRAAEISA-N 0 3 200.282 0.096 20 0 BCADHN CNCC(=O)NCc1cc(C)c(C(=O)OC)o1 ZINC000602600083 349645909 /nfs/dbraw/zinc/64/59/09/349645909.db2.gz HQGWMKGYDCWQBW-UHFFFAOYSA-N 0 3 240.259 0.210 20 0 BCADHN CC[C@H](C)C[C@@H](CO)NCc1cnnn1C ZINC000647244367 398330579 /nfs/dbraw/zinc/33/05/79/398330579.db2.gz YKAOTMATTYAKNG-UWVGGRQHSA-N 0 3 226.324 0.702 20 0 BCADHN CC[C@H](N)C(=O)N1CCOC[C@H]1CC(C)C ZINC000490681430 529441860 /nfs/dbraw/zinc/44/18/60/529441860.db2.gz XNPSUHKQMJEPFQ-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN COCCC(C)(C)CNC(=O)[C@@H](C)N ZINC000234673492 342933607 /nfs/dbraw/zinc/93/36/07/342933607.db2.gz HAEGFOYKBHAQSP-MRVPVSSYSA-N 0 3 202.298 0.513 20 0 BCADHN CC(C)[C@@H]1CN(Cc2cnnn2C)CCN1C ZINC000351650910 136249254 /nfs/dbraw/zinc/24/92/54/136249254.db2.gz PSTRTQYVVMCKSX-LBPRGKRZSA-N 0 3 237.351 0.587 20 0 BCADHN COCCN(CCO)CCC[C@H](C)O ZINC000308560753 346883942 /nfs/dbraw/zinc/88/39/42/346883942.db2.gz FBVKJFVJGKNLKZ-JTQLQIEISA-N 0 3 205.298 0.088 20 0 BCADHN CSC1(CNCc2cnc(N)nc2N)CC1 ZINC000602640998 349653864 /nfs/dbraw/zinc/65/38/64/349653864.db2.gz UDHQCTLANKOZNP-UHFFFAOYSA-N 0 3 239.348 0.287 20 0 BCADHN CN(C)CCn1ncc2occc2c1=O ZINC000634589293 342935167 /nfs/dbraw/zinc/93/51/67/342935167.db2.gz UUHGOHLUDYFZKQ-UHFFFAOYSA-N 0 3 207.233 0.551 20 0 BCADHN CN1CCC[C@@H](CNS(=O)(=O)CC2CC2)C1 ZINC000531118100 398338685 /nfs/dbraw/zinc/33/86/85/398338685.db2.gz VHMMPJRLIOBIBC-NSHDSACASA-N 0 3 246.376 0.658 20 0 BCADHN C[C@@H](F)CCN(C)[C@@]1(CO)CCOC1 ZINC000351728817 136249944 /nfs/dbraw/zinc/24/99/44/136249944.db2.gz ASDNKLVSBAZOTC-NXEZZACHSA-N 0 3 205.273 0.818 20 0 BCADHN CSC[C@H](O)CN(C)[C@H]1CCC(=O)N(C)C1 ZINC000562478320 323021529 /nfs/dbraw/zinc/02/15/29/323021529.db2.gz JCOMDUGMCVTSIT-VHSXEESVSA-N 0 3 246.376 0.263 20 0 BCADHN CCn1cc(CNCCCn2cncn2)cn1 ZINC000381840786 346886009 /nfs/dbraw/zinc/88/60/09/346886009.db2.gz YKUGOEXUKLZJGA-UHFFFAOYSA-N 0 3 234.307 0.674 20 0 BCADHN COC1CC(N[C@H]2CCCCNC2=O)C1 ZINC000230696597 346886053 /nfs/dbraw/zinc/88/60/53/346886053.db2.gz DAKIYUWENAZUCC-RTBKNWGFSA-N 0 3 212.293 0.422 20 0 BCADHN CC(C)SCCNCc1cnc(N)nc1N ZINC000602657183 349662682 /nfs/dbraw/zinc/66/26/82/349662682.db2.gz XLQPLTQFISEWGI-UHFFFAOYSA-N 0 3 241.364 0.533 20 0 BCADHN CCCC[C@@H](N)C(=O)NC1CCOCC1 ZINC000037480744 342937404 /nfs/dbraw/zinc/93/74/04/342937404.db2.gz BSELROCRFMXZOG-SNVBAGLBSA-N 0 3 214.309 0.799 20 0 BCADHN CN(Cc1nccn1C)C(=O)CNC1CC1 ZINC000037823020 398334574 /nfs/dbraw/zinc/33/45/74/398334574.db2.gz LLFGJDWGEWWRPG-UHFFFAOYSA-N 0 3 222.292 0.131 20 0 BCADHN CCC1CCN(C(=O)CN2CCNCC2)CC1 ZINC000037822584 398334629 /nfs/dbraw/zinc/33/46/29/398334629.db2.gz ASGLNZGPNFGMQL-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000037820103 398334641 /nfs/dbraw/zinc/33/46/41/398334641.db2.gz CRAPQGJSLXGRJW-DTWKUNHWSA-N 0 3 222.292 0.463 20 0 BCADHN CCN(C[C@H]1CCOC1)C(=O)[C@@H](C)N ZINC000037827227 398334749 /nfs/dbraw/zinc/33/47/49/398334749.db2.gz XSSXAWODMPJHKH-RKDXNWHRSA-N 0 3 200.282 0.219 20 0 BCADHN CCN(C[C@H]1CCOC1)C(=O)[C@H](C)N ZINC000037827229 398334783 /nfs/dbraw/zinc/33/47/83/398334783.db2.gz XSSXAWODMPJHKH-DTWKUNHWSA-N 0 3 200.282 0.219 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1CCN(C2CC2)CC1 ZINC000037827013 398334816 /nfs/dbraw/zinc/33/48/16/398334816.db2.gz POKZJJALGPOUGA-GFCCVEGCSA-N 0 3 239.363 0.666 20 0 BCADHN Cc1noc(CNC(=O)[C@@H](N)CC(C)C)n1 ZINC000038035036 398335798 /nfs/dbraw/zinc/33/57/98/398335798.db2.gz PBAFFWNFISKZIP-QMMMGPOBSA-N 0 3 226.280 0.368 20 0 BCADHN Cc1ncc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cn1 ZINC000351751915 136251470 /nfs/dbraw/zinc/25/14/70/136251470.db2.gz AAQKEVPNMAUTKV-XQQFMLRXSA-N 0 3 233.315 0.988 20 0 BCADHN C[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1ccncn1 ZINC000624133672 346893135 /nfs/dbraw/zinc/89/31/35/346893135.db2.gz TWRLZDIANNJTLC-CIUDSAMLSA-N 0 3 220.276 0.391 20 0 BCADHN C[C@@H](N)C(=O)NCCNC(=O)CC1CCCC1 ZINC000157351159 398340214 /nfs/dbraw/zinc/34/02/14/398340214.db2.gz YMYMAUMSDSHOOC-SECBINFHSA-N 0 3 241.335 0.146 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1O)N(C)C ZINC000157374651 398340280 /nfs/dbraw/zinc/34/02/80/398340280.db2.gz BAQKJYCROSMMKC-TUAOUCFPSA-N 0 3 242.363 0.994 20 0 BCADHN COC[C@](C)(CCO)NCc1[nH]ncc1C ZINC000289580806 398344085 /nfs/dbraw/zinc/34/40/85/398344085.db2.gz SQARVSFAGAFVSX-NSHDSACASA-N 0 3 227.308 0.595 20 0 BCADHN CN(CCc1ccncc1)CC(C)(CO)CO ZINC000149168355 398345117 /nfs/dbraw/zinc/34/51/17/398345117.db2.gz QGQLILBXVDASQU-UHFFFAOYSA-N 0 3 238.331 0.547 20 0 BCADHN N[C@@H](CC(=O)N1CCNC(=O)C1)c1ccccc1 ZINC000019504113 342950165 /nfs/dbraw/zinc/95/01/65/342950165.db2.gz YGSBBPWXABOQDX-NSHDSACASA-N 0 3 247.298 0.035 20 0 BCADHN CCN1CCN(C[C@H](C)COC)CC1 ZINC000189523994 346895471 /nfs/dbraw/zinc/89/54/71/346895471.db2.gz BBFWGLVOZXLESM-NSHDSACASA-N 0 3 200.326 0.906 20 0 BCADHN CC[C@@H](CO)N(C)C[C@H]1CN(C)C(=O)O1 ZINC000496156445 529503653 /nfs/dbraw/zinc/50/36/53/529503653.db2.gz GBVAPIZRCKGOMP-IUCAKERBSA-N 0 3 216.281 0.140 20 0 BCADHN COC(=O)C1(C)CN(C[C@H](OC)C2CC2)C1 ZINC000602693507 349690710 /nfs/dbraw/zinc/69/07/10/349690710.db2.gz SWEDAHVYLYRRBZ-JTQLQIEISA-N 0 3 227.304 0.906 20 0 BCADHN NC(=O)CCN[C@@H]1COc2ccc(F)cc2C1 ZINC000580316494 346902197 /nfs/dbraw/zinc/90/21/97/346902197.db2.gz HYHJGKXZYMJCSY-JTQLQIEISA-N 0 3 238.262 0.594 20 0 BCADHN C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CNCCO1 ZINC000085619363 488190722 /nfs/dbraw/zinc/19/07/22/488190722.db2.gz YMTKJOZDGFNUQP-ONGXEEELSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@H]1CC[C@H](NC(=O)CNC2CC2)C1 ZINC000234820822 342954623 /nfs/dbraw/zinc/95/46/23/342954623.db2.gz NUNSXWQFDHNASP-UWVGGRQHSA-N 0 3 212.293 0.422 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H](C)[C@H]1CC1(F)F ZINC000602707402 349700604 /nfs/dbraw/zinc/70/06/04/349700604.db2.gz ACLXWEVXOBGADB-LURQLKTLSA-N 0 3 249.257 0.950 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1N[C@@H]1CS[C@H](C)C1 ZINC000602708367 349701531 /nfs/dbraw/zinc/70/15/31/349701531.db2.gz DSCYRRNQVDNJPG-XFWSIPNHSA-N 0 3 245.344 0.801 20 0 BCADHN CC(C)C(=O)NCCNCc1cccnc1 ZINC000020125166 342970196 /nfs/dbraw/zinc/97/01/96/342970196.db2.gz LMAWZPSAVDBTNY-UHFFFAOYSA-N 0 3 221.304 0.943 20 0 BCADHN COC(C)(C)CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000167485865 136258095 /nfs/dbraw/zinc/25/80/95/136258095.db2.gz MTEKNZNCFHRSBY-ZJUUUORDSA-N 0 3 228.336 0.916 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](O)C1 ZINC000351848033 136257018 /nfs/dbraw/zinc/25/70/18/136257018.db2.gz AGHILNTWGGEIKP-VHSXEESVSA-N 0 3 214.309 0.166 20 0 BCADHN COCCOC[C@H](O)CNCc1cccs1 ZINC000234901488 342965686 /nfs/dbraw/zinc/96/56/86/342965686.db2.gz SNUQLNACKCPTLV-SNVBAGLBSA-N 0 3 245.344 0.862 20 0 BCADHN COCCOC[C@H](O)CNCc1ccncc1 ZINC000234901615 342965718 /nfs/dbraw/zinc/96/57/18/342965718.db2.gz WLUUSCHISYWBDC-GFCCVEGCSA-N 0 3 240.303 0.195 20 0 BCADHN CSCCNC(=O)NC1CCN(C)CC1 ZINC000608791062 342978534 /nfs/dbraw/zinc/97/85/34/342978534.db2.gz JZFRMKZOIUBQRI-UHFFFAOYSA-N 0 3 231.365 0.743 20 0 BCADHN Cc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2)c(C)c1 ZINC000020434278 342985201 /nfs/dbraw/zinc/98/52/01/342985201.db2.gz QLUWHRSQCGEBEG-JQWIXIFHSA-N 0 3 234.299 0.965 20 0 BCADHN COC(=O)c1ccc(CN[C@H]2C[C@@H](CO)C2)[nH]1 ZINC000602725994 349715253 /nfs/dbraw/zinc/71/52/53/349715253.db2.gz SSEFJJUUPYOUJH-WAAGHKOSSA-N 0 3 238.287 0.662 20 0 BCADHN C[C@H](N)C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000037826373 342986224 /nfs/dbraw/zinc/98/62/24/342986224.db2.gz RNVXGRAVSGSBMV-DTWKUNHWSA-N 0 3 212.293 0.361 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)N[C@H](CO)CCF ZINC000624577741 344021791 /nfs/dbraw/zinc/02/17/91/344021791.db2.gz RQOUQUZDVCZLRZ-VHSXEESVSA-N 0 3 247.314 0.100 20 0 BCADHN CCN(C#N)CCN(C)C[C@@H]1CCC[C@H]1O ZINC000602795962 349737815 /nfs/dbraw/zinc/73/78/15/349737815.db2.gz PJWTYYKIIUYQDN-NWDGAFQWSA-N 0 3 225.336 0.882 20 0 BCADHN CC[C@@H]1CN(CCN(C#N)CC)C[C@@H]1O ZINC000602798687 349739499 /nfs/dbraw/zinc/73/94/99/349739499.db2.gz NWAPDGYLSYICLD-MNOVXSKESA-N 0 3 211.309 0.492 20 0 BCADHN CC[C@@H](N)C(=O)NCCCc1cnn(C)c1 ZINC000129702322 344022575 /nfs/dbraw/zinc/02/25/75/344022575.db2.gz PKCZDDORWUASCI-SNVBAGLBSA-N 0 3 224.308 0.206 20 0 BCADHN CCN(C#N)CCN1CCN(CC)[C@H](C)C1 ZINC000602802487 349742827 /nfs/dbraw/zinc/74/28/27/349742827.db2.gz UUPYLXPLRRIYHB-GFCCVEGCSA-N 0 3 224.352 0.815 20 0 BCADHN CCn1ccnc1NC(=O)/C=C/CN(C)C ZINC000493088942 529582616 /nfs/dbraw/zinc/58/26/16/529582616.db2.gz SDPBASXGEPOYKU-AATRIKPKSA-N 0 3 222.292 0.959 20 0 BCADHN CCN(C#N)CCN(C)C[C@@H](C)C(=O)NC ZINC000602776310 349729286 /nfs/dbraw/zinc/72/92/86/349729286.db2.gz DIYPLFMFIHFCCS-SNVBAGLBSA-N 0 3 226.324 0.103 20 0 BCADHN COC(=O)[C@H]1CCN(Cc2cc[nH]c(=O)c2)C1 ZINC000602763734 349734343 /nfs/dbraw/zinc/73/43/43/349734343.db2.gz CNQMXKVJBNKAMO-JTQLQIEISA-N 0 3 236.271 0.782 20 0 BCADHN CCN(C#N)CCN[C@@]1(C)CCO[C@@H]1C ZINC000602823520 349763153 /nfs/dbraw/zinc/76/31/53/349763153.db2.gz UWPCMQODAZWGBK-MNOVXSKESA-N 0 3 211.309 0.946 20 0 BCADHN CC[C@H]1CN(C)CCN1CCN(C#N)CC ZINC000602831392 349767866 /nfs/dbraw/zinc/76/78/66/349767866.db2.gz HEIUSIQFGGJHFS-LBPRGKRZSA-N 0 3 224.352 0.815 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000050457881 343021970 /nfs/dbraw/zinc/02/19/70/343021970.db2.gz UQCCYRMGCTUKCL-JGVFFNPUSA-N 0 3 220.228 0.701 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(N)CC1 ZINC000335905502 136260801 /nfs/dbraw/zinc/26/08/01/136260801.db2.gz MAGUJEHOHJRTPC-WPRPVWTQSA-N 0 3 223.320 0.077 20 0 BCADHN CCN(C#N)CCN1CCC[C@H](CC(N)=O)C1 ZINC000602784153 349748812 /nfs/dbraw/zinc/74/88/12/349748812.db2.gz QKLCRBHKZARFLM-LLVKDONJSA-N 0 3 238.335 0.377 20 0 BCADHN CCCCOCCNC(=O)[C@@H]1C[C@@H]1N ZINC000050464448 343022666 /nfs/dbraw/zinc/02/26/66/343022666.db2.gz XQFMLOJGMLKXMO-BDAKNGLRSA-N 0 3 200.282 0.267 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1ccsc1 ZINC000050464867 343022677 /nfs/dbraw/zinc/02/26/77/343022677.db2.gz MDPAPKYIXITYRU-DTWKUNHWSA-N 0 3 210.302 0.754 20 0 BCADHN COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[C@@H]1N ZINC000050465321 343022683 /nfs/dbraw/zinc/02/26/83/343022683.db2.gz ZWQTYHBGLQACGD-VGMNWLOBSA-N 0 3 228.292 0.038 20 0 BCADHN CCN(C#N)CCN1CC[C@@]2(CCOC2)C1 ZINC000602787074 349750608 /nfs/dbraw/zinc/75/06/08/349750608.db2.gz GYGIHWOGNAKFMI-GFCCVEGCSA-N 0 3 223.320 0.902 20 0 BCADHN C[C@H](O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000144860317 343024146 /nfs/dbraw/zinc/02/41/46/343024146.db2.gz FJJNEGMAIGINJL-DTWKUNHWSA-N 0 3 214.309 0.356 20 0 BCADHN CCN(C#N)CCN[C@@H](COC)C1CC1 ZINC000602805653 349751388 /nfs/dbraw/zinc/75/13/88/349751388.db2.gz PJALKUXVFMLPIR-NSHDSACASA-N 0 3 211.309 0.804 20 0 BCADHN CCN(C#N)CCN1CC[C@@H]([C@H](C)O)C1 ZINC000602808456 349753608 /nfs/dbraw/zinc/75/36/08/349753608.db2.gz WAVMJCAEYAUJOX-WDEREUQCSA-N 0 3 211.309 0.492 20 0 BCADHN CC(C)OC(=O)CCNC(=O)[C@H]1CCCCN1 ZINC000151858476 323030679 /nfs/dbraw/zinc/03/06/79/323030679.db2.gz WIGIZWQXLYAJFF-SNVBAGLBSA-N 0 3 242.319 0.586 20 0 BCADHN CCN(C#N)CCN1CC[C@H](C)[C@H]1CO ZINC000602816741 349759104 /nfs/dbraw/zinc/75/91/04/349759104.db2.gz OEWOJISIZJCHJF-WDEREUQCSA-N 0 3 211.309 0.492 20 0 BCADHN C[C@@H]1CCN(CCNCc2ncc[nH]2)C1 ZINC000309092297 259342315 /nfs/dbraw/zinc/34/23/15/259342315.db2.gz BOKBAZXSHIRBKL-SNVBAGLBSA-N 0 3 208.309 0.841 20 0 BCADHN CCN(C#N)CCNC1(CO)CCSCC1 ZINC000602838317 349777561 /nfs/dbraw/zinc/77/75/61/349777561.db2.gz DXDPUALYIASGSP-UHFFFAOYSA-N 0 3 243.376 0.637 20 0 BCADHN CCN(C#N)CCN1CCC[C@@H](CO)[C@@H]1C ZINC000602847566 349783867 /nfs/dbraw/zinc/78/38/67/349783867.db2.gz WEYNZQKJTZSOIS-RYUDHWBXSA-N 0 3 225.336 0.882 20 0 BCADHN CCN(C#N)CCN1CCC[C@H](CO)[C@@H]1C ZINC000602847565 349783907 /nfs/dbraw/zinc/78/39/07/349783907.db2.gz WEYNZQKJTZSOIS-NWDGAFQWSA-N 0 3 225.336 0.882 20 0 BCADHN CCN(C#N)CCN1C[C@H](C)C[C@@H](CO)C1 ZINC000602844122 349781695 /nfs/dbraw/zinc/78/16/95/349781695.db2.gz ALSNAJSPAAIPEX-VXGBXAGGSA-N 0 3 225.336 0.740 20 0 BCADHN COC1(CNC[C@@H](C)S(C)(=O)=O)CCCC1 ZINC000309463553 259343174 /nfs/dbraw/zinc/34/31/74/259343174.db2.gz OOSAQHVNTIWALO-SNVBAGLBSA-N 0 3 249.376 0.968 20 0 BCADHN CCn1nccc1C(=O)NCC1(N(C)C)CC1 ZINC000668052075 488196105 /nfs/dbraw/zinc/19/61/05/488196105.db2.gz VNHXVMOUVYUVFB-UHFFFAOYSA-N 0 3 236.319 0.727 20 0 BCADHN Cc1c[nH]nc1C(=O)NCC1(N(C)C)CC1 ZINC000668052728 488196113 /nfs/dbraw/zinc/19/61/13/488196113.db2.gz IQEXAODSBXONMU-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN CCN(C#N)CCN1CC[C@@H]([C@@H](C)O)C1 ZINC000602807979 349770957 /nfs/dbraw/zinc/77/09/57/349770957.db2.gz WAVMJCAEYAUJOX-GHMZBOCLSA-N 0 3 211.309 0.492 20 0 BCADHN CN(CCN1C(=O)CCC1=O)[C@@H]1CCSC1 ZINC000162661709 349789399 /nfs/dbraw/zinc/78/93/99/349789399.db2.gz RHJZPZHSLJEFKE-SECBINFHSA-N 0 3 242.344 0.573 20 0 BCADHN CO[C@H](C)C(=O)N(CCN(C)C)C(C)C ZINC000151875549 323031802 /nfs/dbraw/zinc/03/18/02/323031802.db2.gz DJXMJOOJLRCHEH-SNVBAGLBSA-N 0 3 216.325 0.820 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCO[C@H](C)C1 ZINC000562872422 323032625 /nfs/dbraw/zinc/03/26/25/323032625.db2.gz AKOHCTRSXJDJJX-HBNTYKKESA-N 0 3 228.336 0.868 20 0 BCADHN O=C1NCC[C@@]12CCCN2CCCF ZINC000576834983 365699520 /nfs/dbraw/zinc/69/95/20/365699520.db2.gz YPFRTLWDJTYSAH-JTQLQIEISA-N 0 3 200.257 0.701 20 0 BCADHN CC[C@H](N[C@H]1COC[C@H]1O)[C@H]1CCCO1 ZINC000309067773 529673798 /nfs/dbraw/zinc/67/37/98/529673798.db2.gz AHNRKBDOTJRJPC-UKKRHICBSA-N 0 3 215.293 0.293 20 0 BCADHN C[C@H]1C[C@H](N(C)C(=O)CN(C)C)CCN1C ZINC000175100597 362027038 /nfs/dbraw/zinc/02/70/38/362027038.db2.gz AAODAFGBWNIPJZ-WDEREUQCSA-N 0 3 227.352 0.489 20 0 BCADHN CNC(=O)NC(=O)CN1CCC[C@@H](C)[C@@H]1C ZINC000246747157 362032996 /nfs/dbraw/zinc/03/29/96/362032996.db2.gz NAEGNONBNCGKFI-BDAKNGLRSA-N 0 3 227.308 0.562 20 0 BCADHN CCN(CCNS(C)(=O)=O)CC(C)C ZINC000171526253 323034103 /nfs/dbraw/zinc/03/41/03/323034103.db2.gz HWGXABCRSBRKAF-UHFFFAOYSA-N 0 3 222.354 0.514 20 0 BCADHN CN(C)C(=O)Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000640789185 362039640 /nfs/dbraw/zinc/03/96/40/362039640.db2.gz HTACTSMWZGQJIU-JTQLQIEISA-N 0 3 239.323 0.412 20 0 BCADHN COC(=O)[C@H]1CC[C@@H](NCc2cn[nH]c2)C1 ZINC000309949055 343104564 /nfs/dbraw/zinc/10/45/64/343104564.db2.gz FICOGYPXEZWLRS-VHSXEESVSA-N 0 3 223.276 0.841 20 0 BCADHN Cc1cc(C(=O)NC[C@H](C)N(C)C)no1 ZINC000046274236 343106224 /nfs/dbraw/zinc/10/62/24/343106224.db2.gz XMVCRPKFCAWZAI-ZETCQYMHSA-N 0 3 211.265 0.663 20 0 BCADHN C[C@H](CNC(=O)c1ccncc1)N(C)C ZINC000046275717 343108466 /nfs/dbraw/zinc/10/84/66/343108466.db2.gz MKKLMHOSNMZATG-SECBINFHSA-N 0 3 207.277 0.762 20 0 BCADHN C[C@@H](C(N)=O)n1cc(CNC2CCCC2)nn1 ZINC000640810964 362055623 /nfs/dbraw/zinc/05/56/23/362055623.db2.gz PCKHVSQFJWMFME-QMMMGPOBSA-N 0 3 237.307 0.357 20 0 BCADHN C[C@H](C(N)=O)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000640810269 362055710 /nfs/dbraw/zinc/05/57/10/362055710.db2.gz KHZUGUARIWRVJO-HTRCEHHLSA-N 0 3 225.296 0.370 20 0 BCADHN CN(CC1CCOCC1)C(=O)CNC1CC1 ZINC000082545461 362057459 /nfs/dbraw/zinc/05/74/59/362057459.db2.gz NAYHGXXXJSGHCZ-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H](C(=O)N(C)C)n1cc(CCN(C)C)nn1 ZINC000640876852 362068138 /nfs/dbraw/zinc/06/81/38/362068138.db2.gz RPZPOFSSOVFYEC-SECBINFHSA-N 0 3 239.323 0.031 20 0 BCADHN NCc1cnn(Cc2cn(CC3CCC3)nn2)c1 ZINC000640947751 362094313 /nfs/dbraw/zinc/09/43/13/362094313.db2.gz QERVOMMNFXHLRT-UHFFFAOYSA-N 0 3 246.318 0.782 20 0 BCADHN COCCN(C)CCNC[C@@H](O)C(F)(F)F ZINC000082681155 362099940 /nfs/dbraw/zinc/09/99/40/362099940.db2.gz VOLKECALDHCALE-MRVPVSSYSA-N 0 3 244.257 0.077 20 0 BCADHN O[C@H](CNCCn1ccnc1)C(F)(F)F ZINC000082680917 362100258 /nfs/dbraw/zinc/10/02/58/362100258.db2.gz BWRZMQWFPRARAO-SSDOTTSWSA-N 0 3 223.198 0.396 20 0 BCADHN O=S(=O)(CCC1CCCC1)NC1CNC1 ZINC000576873114 365709775 /nfs/dbraw/zinc/70/97/75/365709775.db2.gz QDRWHURYXHOCJH-UHFFFAOYSA-N 0 3 232.349 0.458 20 0 BCADHN CCOC(=O)CC[C@H](C)NC(=O)CNC1CC1 ZINC000236825234 343112726 /nfs/dbraw/zinc/11/27/26/343112726.db2.gz HQQRSMVTEXLQSD-VIFPVBQESA-N 0 3 242.319 0.586 20 0 BCADHN CC[C@@H](N)C(=O)Nc1nc2c(s1)COCC2 ZINC000236869422 343113140 /nfs/dbraw/zinc/11/31/40/343113140.db2.gz CJEPCSAEPAOAHU-ZCFIWIBFSA-N 0 3 241.316 0.892 20 0 BCADHN CC[C@H](N)C(=O)NCc1cccc(N(C)C)n1 ZINC000236915103 343115163 /nfs/dbraw/zinc/11/51/63/343115163.db2.gz DHXVBLZALVZKPN-JTQLQIEISA-N 0 3 236.319 0.501 20 0 BCADHN CO[C@H](C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000168728476 136269878 /nfs/dbraw/zinc/26/98/78/136269878.db2.gz XWOALXVAXNPWCK-BBBLOLIVSA-N 0 3 214.309 0.620 20 0 BCADHN CCO[C@H](CC)C(=O)N1CCCNCC1 ZINC000236930747 343115718 /nfs/dbraw/zinc/11/57/18/343115718.db2.gz YGGUYSJLKAYBCA-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN C[C@@H](c1ccccn1)n1cc(CN)nn1 ZINC000640995196 362107007 /nfs/dbraw/zinc/10/70/07/362107007.db2.gz HUZJCHUKQWOFPM-QMMMGPOBSA-N 0 3 203.249 0.741 20 0 BCADHN COC(=O)CCCCNC(=O)CNC1CC1 ZINC000237147885 343127729 /nfs/dbraw/zinc/12/77/29/343127729.db2.gz CIRNFMFVNVPKFT-UHFFFAOYSA-N 0 3 228.292 0.198 20 0 BCADHN CN(C)C(=O)CCCN1CCC[C@H](O)C1 ZINC000050103555 343134446 /nfs/dbraw/zinc/13/44/46/343134446.db2.gz QPBOTLBOQOWVHQ-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN CNC(=O)CCCNCc1ccn(C)n1 ZINC000112343926 343136455 /nfs/dbraw/zinc/13/64/55/343136455.db2.gz WOSHOYXUPUDRMY-UHFFFAOYSA-N 0 3 210.281 0.036 20 0 BCADHN CC1(C)[C@@H](O)C[C@@H]1NCC(=O)N1CCCCC1 ZINC000129511022 343177831 /nfs/dbraw/zinc/17/78/31/343177831.db2.gz WPONZQXBWKXRTF-QWRGUYRKSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@H]1C[C@@H]1CN1CCC(CS(N)(=O)=O)CC1 ZINC000625271291 343178936 /nfs/dbraw/zinc/17/89/36/343178936.db2.gz WBNIKMWXZIVPSA-GXSJLCMTSA-N 0 3 246.376 0.643 20 0 BCADHN [NH3+]C[C@@H](NC(=O)c1c[n-]nn1)C1CCCCC1 ZINC000130804688 343181987 /nfs/dbraw/zinc/18/19/87/343181987.db2.gz STNUDLPUSWLPGP-SECBINFHSA-N 0 3 237.307 0.442 20 0 BCADHN [NH3+]C[C@@H](NC(=O)c1cnn[n-]1)C1CCCCC1 ZINC000130804688 343181989 /nfs/dbraw/zinc/18/19/89/343181989.db2.gz STNUDLPUSWLPGP-SECBINFHSA-N 0 3 237.307 0.442 20 0 BCADHN [NH3+]C[C@@H](NC(=O)c1cn[n-]n1)C1CCCCC1 ZINC000130804688 343181991 /nfs/dbraw/zinc/18/19/91/343181991.db2.gz STNUDLPUSWLPGP-SECBINFHSA-N 0 3 237.307 0.442 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccncc1C ZINC000129841256 343184739 /nfs/dbraw/zinc/18/47/39/343184739.db2.gz VFJFVYRVMWENTK-JTQLQIEISA-N 0 3 207.277 0.744 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ccncc1C ZINC000129839512 343184757 /nfs/dbraw/zinc/18/47/57/343184757.db2.gz VFJFVYRVMWENTK-SNVBAGLBSA-N 0 3 207.277 0.744 20 0 BCADHN O=C(C[C@H]1CCCCO1)NC[C@@H]1CNCCO1 ZINC000095031632 343154451 /nfs/dbraw/zinc/15/44/51/343154451.db2.gz XDEWKOSFFSLJSA-MNOVXSKESA-N 0 3 242.319 0.050 20 0 BCADHN Cc1cnccc1CNC(=O)[C@H](N)C(C)C ZINC000129839935 343185051 /nfs/dbraw/zinc/18/50/51/343185051.db2.gz GVSQQUQWIQVASK-LLVKDONJSA-N 0 3 221.304 0.990 20 0 BCADHN CC(C)[C@@H](C)N(C)CC(=O)NC(N)=O ZINC000030148862 343158673 /nfs/dbraw/zinc/15/86/73/343158673.db2.gz UVDKJTQZTVKAOP-SSDOTTSWSA-N 0 3 201.270 0.158 20 0 BCADHN C[C@@H]1[C@H](C)SCCN1CC1(CO)COC1 ZINC000089128701 343165864 /nfs/dbraw/zinc/16/58/64/343165864.db2.gz GVPCIEGJQIEJOP-ZJUUUORDSA-N 0 3 231.361 0.821 20 0 BCADHN COc1cccc(C(=O)N(C)[C@@H](C)C[NH3+])c1[O-] ZINC000123739928 343166143 /nfs/dbraw/zinc/16/61/43/343166143.db2.gz FVJBPOXMCWALFQ-QMMMGPOBSA-N 0 3 238.287 0.820 20 0 BCADHN CO[C@@H](C)C(=O)N(C)CCN1CCCC1 ZINC000168682169 536857552 /nfs/dbraw/zinc/85/75/52/536857552.db2.gz VGJWEWWYTCNSEO-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN O=C(CNC1CC1)N1C[C@@H]2CCC[C@H]2C1 ZINC000125388747 343173645 /nfs/dbraw/zinc/17/36/45/343173645.db2.gz XOVOIXDVMPNJHD-UWVGGRQHSA-N 0 3 208.305 0.997 20 0 BCADHN Cc1nnc(NC(=O)CNC(C)C)s1 ZINC000135894148 343196854 /nfs/dbraw/zinc/19/68/54/343196854.db2.gz ZNRIQDACHWHDFR-UHFFFAOYSA-N 0 3 214.294 0.783 20 0 BCADHN CCCNC(=O)CN[C@H]1C[C@@H](O)C1(C)C ZINC000163331133 343206499 /nfs/dbraw/zinc/20/64/99/343206499.db2.gz UZHZXVBWLVEHKI-DTWKUNHWSA-N 0 3 214.309 0.262 20 0 BCADHN COCCNCCNC(=O)CC[C@@H](C)OC ZINC000166795923 343208696 /nfs/dbraw/zinc/20/86/96/343208696.db2.gz PDLJWWNVTWYKGK-SNVBAGLBSA-N 0 3 232.324 0.154 20 0 BCADHN CCCCNC(=O)CN[C@H]1C[C@H](O)C1(C)C ZINC000168203015 343210022 /nfs/dbraw/zinc/21/00/22/343210022.db2.gz XSEKZMPIXUVBIE-UWVGGRQHSA-N 0 3 228.336 0.652 20 0 BCADHN C[C@@H]1[C@H](C)N(CCc2cn(C)nn2)CCN1C ZINC000625287097 343221247 /nfs/dbraw/zinc/22/12/47/343221247.db2.gz JNUJHXCMYSHRGJ-MNOVXSKESA-N 0 3 237.351 0.382 20 0 BCADHN COc1c(N)ncnc1N(C)CCN(C)C ZINC000134892681 343191701 /nfs/dbraw/zinc/19/17/01/343191701.db2.gz JNGDZGHXUAOARV-UHFFFAOYSA-N 0 3 225.296 0.065 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000135194743 343193057 /nfs/dbraw/zinc/19/30/57/343193057.db2.gz GKLHBRFUPZAECD-UWVGGRQHSA-N 0 3 241.335 0.097 20 0 BCADHN Cc1ccc(C(=O)NC[C@@H]2CNCCO2)cn1 ZINC000134259357 343193900 /nfs/dbraw/zinc/19/39/00/343193900.db2.gz KCTHJHKJQHWKPJ-NSHDSACASA-N 0 3 235.287 0.108 20 0 BCADHN COCCCn1cc(CCN(C)C)nn1 ZINC000641026091 362142458 /nfs/dbraw/zinc/14/24/58/362142458.db2.gz SPACPVYUIVHKOX-UHFFFAOYSA-N 0 3 212.297 0.419 20 0 BCADHN CN(CCOC1CCOCC1)C1CC(O)C1 ZINC000625324448 343232631 /nfs/dbraw/zinc/23/26/31/343232631.db2.gz PYAHNUBJZVOBBD-UHFFFAOYSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@H](NC[C@@H](O)CC1(O)CCC1)c1cn[nH]c1 ZINC000625325628 343233087 /nfs/dbraw/zinc/23/30/87/343233087.db2.gz IZILRZNGFXBKCW-ONGXEEELSA-N 0 3 239.319 0.726 20 0 BCADHN CCOC[C@@H](O)CNCc1ccncc1 ZINC000068950930 343254718 /nfs/dbraw/zinc/25/47/18/343254718.db2.gz UOAJTARMPVQSIB-NSHDSACASA-N 0 3 210.277 0.569 20 0 BCADHN CCO[C@H](CN(C)[C@]1(CO)CCOC1)C1CC1 ZINC000625321606 343234358 /nfs/dbraw/zinc/23/43/58/343234358.db2.gz QEUQBGGYPJRUBC-OLZOCXBDSA-N 0 3 243.347 0.885 20 0 BCADHN Cc1ncc(CNC(=O)C2(N)CCC2)s1 ZINC000088050793 136284087 /nfs/dbraw/zinc/28/40/87/136284087.db2.gz YWXYMOGNCJUCBL-UHFFFAOYSA-N 0 3 225.317 0.949 20 0 BCADHN CC[C@@]1(O)CCN(CCc2cn(C)nn2)C1 ZINC000625340463 343240934 /nfs/dbraw/zinc/24/09/34/343240934.db2.gz CMLSCGKYPPWTKB-LLVKDONJSA-N 0 3 224.308 0.204 20 0 BCADHN C[C@H]1CN(CCOC2CCOCC2)CC[C@@H]1O ZINC000625350790 343245554 /nfs/dbraw/zinc/24/55/54/343245554.db2.gz ZANNWZZAYDLDKR-AAEUAGOBSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@@H]1CC(O)C[C@@H](C)N1CCc1cn(C)nn1 ZINC000625354750 343246995 /nfs/dbraw/zinc/24/69/95/343246995.db2.gz LNLNGKLZWMBZLS-NXEZZACHSA-N 0 3 238.335 0.591 20 0 BCADHN CO[C@@H]1CN(CCc2cn(C)nn2)CC[C@H]1C ZINC000625358804 343248342 /nfs/dbraw/zinc/24/83/42/343248342.db2.gz DHDOPYIFKHVPNX-ZYHUDNBSSA-N 0 3 238.335 0.714 20 0 BCADHN C[C@@H]1CCN(CCc2cn(C)nn2)[C@@H]1CO ZINC000625358828 343248598 /nfs/dbraw/zinc/24/85/98/343248598.db2.gz QBPAZHGWRPFHIW-MWLCHTKSSA-N 0 3 224.308 0.060 20 0 BCADHN CC[C@@H]1CO[C@H](C)CN1C[C@H](O)COC ZINC000068891103 343251636 /nfs/dbraw/zinc/25/16/36/343251636.db2.gz DWZNDKYLWNUVTG-MXWKQRLJSA-N 0 3 217.309 0.493 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000035222912 343290551 /nfs/dbraw/zinc/29/05/51/343290551.db2.gz JWNLWTQGYQXGOG-WCBMZHEXSA-N 0 3 220.272 0.974 20 0 BCADHN CC(C)(C)[C@H](N)c1cn([C@H]2CCNC2=O)nn1 ZINC000641045427 362155588 /nfs/dbraw/zinc/15/55/88/362155588.db2.gz KSNNWDKWGILIDI-DTWKUNHWSA-N 0 3 237.307 0.385 20 0 BCADHN CN(CCOC1CCOCC1)CC1(CO)CC1 ZINC000625361931 343258343 /nfs/dbraw/zinc/25/83/43/343258343.db2.gz QEZTTYJAHKFLMK-UHFFFAOYSA-N 0 3 243.347 0.886 20 0 BCADHN CC[C@@H](N)c1cn([C@H]2CCCNC2=O)nn1 ZINC000641052169 362161405 /nfs/dbraw/zinc/16/14/05/362161405.db2.gz QPNLOYRUWIANNM-APPZFPTMSA-N 0 3 223.280 0.139 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000052009866 343281866 /nfs/dbraw/zinc/28/18/66/343281866.db2.gz KVKQWQUWOJTANA-VGMNWLOBSA-N 0 3 200.282 0.143 20 0 BCADHN C[C@@H](N)C(=O)NCc1cc(F)cc(F)c1 ZINC000083940826 136287577 /nfs/dbraw/zinc/28/75/77/136287577.db2.gz KJNZDDJINONGKI-ZCFIWIBFSA-N 0 3 214.215 0.928 20 0 BCADHN CO[C@@H]1CN(CCOCCO)CC[C@@H]1C ZINC000221126597 343320283 /nfs/dbraw/zinc/32/02/83/343320283.db2.gz QMEGSCBUIYFSHW-WDEREUQCSA-N 0 3 217.309 0.352 20 0 BCADHN C[C@@H](CN1CCOCC1)NCc1ccncc1 ZINC000036932813 343327907 /nfs/dbraw/zinc/32/79/07/343327907.db2.gz HWCOVRDTROQKJI-LBPRGKRZSA-N 0 3 235.331 0.892 20 0 BCADHN C[C@H](Cn1cccn1)NC(=O)[C@H]1CCCCN1 ZINC000036999138 343329932 /nfs/dbraw/zinc/32/99/32/343329932.db2.gz YGKDBKVBEWBLOO-GHMZBOCLSA-N 0 3 236.319 0.530 20 0 BCADHN COCCCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000347961256 136293182 /nfs/dbraw/zinc/29/31/82/136293182.db2.gz XLPSYKREQRUSKD-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(CCC(=O)OC)[C@H]1CCOC1 ZINC000070531619 343332438 /nfs/dbraw/zinc/33/24/38/343332438.db2.gz XGIQOTICACJRSM-VIFPVBQESA-N 0 3 201.266 0.660 20 0 BCADHN CC[C@H]1CN(C)CCCN1C(=O)c1cn[nH]c1 ZINC000234060563 343297840 /nfs/dbraw/zinc/29/78/40/343297840.db2.gz KLECPBLIWINUAS-NSHDSACASA-N 0 3 236.319 0.966 20 0 BCADHN C[C@@H](CO)NCc1cccc(C(N)=O)c1 ZINC000035604689 343300066 /nfs/dbraw/zinc/30/00/66/343300066.db2.gz XCIMZKRNBYEQHW-QMMMGPOBSA-N 0 3 208.261 0.256 20 0 BCADHN CCN(Cc1cnn(CCOC)c1)C[C@H](C)O ZINC000348714332 136294476 /nfs/dbraw/zinc/29/44/76/136294476.db2.gz YJZDBNCQTDPQQM-NSHDSACASA-N 0 3 241.335 0.732 20 0 BCADHN CC(C)[C@H](N)c1cn([C@@H]2CCCNC2=O)nn1 ZINC000641052939 362162633 /nfs/dbraw/zinc/16/26/33/362162633.db2.gz WOYCHVWPXWBZLB-ZJUUUORDSA-N 0 3 237.307 0.385 20 0 BCADHN C[C@@H](O)[C@H](C)NCC1(S(C)(=O)=O)CCCC1 ZINC000576978972 365741516 /nfs/dbraw/zinc/74/15/16/365741516.db2.gz DMYKRQXHXIOREK-VHSXEESVSA-N 0 3 249.376 0.703 20 0 BCADHN O=C1C[C@H](CNCc2cncnc2)CN1C1CC1 ZINC000584057713 343309176 /nfs/dbraw/zinc/30/91/76/343309176.db2.gz RLWBIWWREYLNDT-SNVBAGLBSA-N 0 3 246.314 0.577 20 0 BCADHN COCCN(C)C[C@H](O)COC(C)C ZINC000070190721 343309369 /nfs/dbraw/zinc/30/93/69/343309369.db2.gz WSARNEDEIBIOKO-JTQLQIEISA-N 0 3 205.298 0.351 20 0 BCADHN CCN(CCOC)C[C@H](O)COC(C)C ZINC000070190909 343309374 /nfs/dbraw/zinc/30/93/74/343309374.db2.gz SYOHCBXAQXLENH-NSHDSACASA-N 0 3 219.325 0.741 20 0 BCADHN CCN(CCO)C[C@@H](O)COC(C)C ZINC000070192352 343311772 /nfs/dbraw/zinc/31/17/72/343311772.db2.gz KBZUXOAHTBZPFS-SNVBAGLBSA-N 0 3 205.298 0.087 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2c[nH]nc2C)C1 ZINC000309393868 343355346 /nfs/dbraw/zinc/35/53/46/343355346.db2.gz UYCUTSOBHVEQQP-LLVKDONJSA-N 0 3 222.292 0.429 20 0 BCADHN COc1cncc(CN[C@@H]2CCOC[C@@H]2C)n1 ZINC000625372105 343359384 /nfs/dbraw/zinc/35/93/84/343359384.db2.gz XDVRDRYLAXUONP-GXSJLCMTSA-N 0 3 237.303 1.000 20 0 BCADHN Cn1cc(CCN2C[C@@H](O)C(C)(C)C2)nn1 ZINC000625380907 343365669 /nfs/dbraw/zinc/36/56/69/343365669.db2.gz MWXYBAAUIPAULE-SNVBAGLBSA-N 0 3 224.308 0.060 20 0 BCADHN CC[C@@H](C)NC(=O)CCNCc1ccnn1C ZINC000038014063 343365724 /nfs/dbraw/zinc/36/57/24/343365724.db2.gz MSRVMXKJZZOOCT-SNVBAGLBSA-N 0 3 238.335 0.815 20 0 BCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cccnn1 ZINC000625381556 343366080 /nfs/dbraw/zinc/36/60/80/343366080.db2.gz QHIUCRYMSIBAON-LLVKDONJSA-N 0 3 246.314 0.691 20 0 BCADHN Cn1cc(CCN2CCC[C@](C)(O)CC2)nn1 ZINC000625384311 343366586 /nfs/dbraw/zinc/36/65/86/343366586.db2.gz KYXIRBIMGUDXIK-LBPRGKRZSA-N 0 3 238.335 0.595 20 0 BCADHN CC[C@@H](C)CNC(=O)N1CCOC2(CNC2)C1 ZINC000335627368 136299871 /nfs/dbraw/zinc/29/98/71/136299871.db2.gz QGBFYXMULPVWRY-SNVBAGLBSA-N 0 3 241.335 0.416 20 0 BCADHN CC[C@@H]1CN(CCc2cn(C)nn2)CCCO1 ZINC000625390477 343368282 /nfs/dbraw/zinc/36/82/82/343368282.db2.gz YYJPIUIYKCEBOW-GFCCVEGCSA-N 0 3 238.335 0.859 20 0 BCADHN NCc1cnn(Cc2cn(CCC3CC3)nn2)c1 ZINC000641066347 362175034 /nfs/dbraw/zinc/17/50/34/362175034.db2.gz ZDMBLFJLOOZGAU-UHFFFAOYSA-N 0 3 246.318 0.782 20 0 BCADHN CCNC(=O)[C@@H](C)N[C@H](CC)COC ZINC000070623886 343336035 /nfs/dbraw/zinc/33/60/35/343336035.db2.gz CIMMKHRNRZPUOT-RKDXNWHRSA-N 0 3 202.298 0.526 20 0 BCADHN CCOC(=O)C[C@H](O)CN(CC)[C@@H]1CCOC1 ZINC000310186881 343377490 /nfs/dbraw/zinc/37/74/90/343377490.db2.gz YRFBFZLMJLZDHD-MNOVXSKESA-N 0 3 245.319 0.411 20 0 BCADHN C[C@@H](Cn1cccn1)NCc1ccnn1C ZINC000037155866 343337588 /nfs/dbraw/zinc/33/75/88/343337588.db2.gz IHGOTWPOTWKFQV-JTQLQIEISA-N 0 3 219.292 0.795 20 0 BCADHN Cc1n[nH]cc1CN[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367063349 136302156 /nfs/dbraw/zinc/30/21/56/136302156.db2.gz VJAFQPLGQMFNLI-AAEUAGOBSA-N 0 3 248.330 0.865 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@H]1CCCOC1 ZINC000071023456 343342663 /nfs/dbraw/zinc/34/26/63/343342663.db2.gz PHJIPUSGUJDXFF-UWVGGRQHSA-N 0 3 214.309 0.655 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)Cn2ccnc2)CCN1C ZINC000584087207 343378110 /nfs/dbraw/zinc/37/81/10/343378110.db2.gz RAXWAFUZPUYPNQ-QWRGUYRKSA-N 0 3 236.319 0.482 20 0 BCADHN CC(C)NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000335647831 136304274 /nfs/dbraw/zinc/30/42/74/136304274.db2.gz BJDACQPKXKBOTM-IUCAKERBSA-N 0 3 229.324 0.807 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000037770180 343354383 /nfs/dbraw/zinc/35/43/83/343354383.db2.gz NBLQAJOQACDGPG-VIFPVBQESA-N 0 3 245.286 0.612 20 0 BCADHN CCOCCCn1cc(C[C@@H](N)COC)nn1 ZINC000641062577 362171485 /nfs/dbraw/zinc/17/14/85/362171485.db2.gz RBOYJJSXNHMDMP-SNVBAGLBSA-N 0 3 242.323 0.221 20 0 BCADHN CCN(CC)[C@H](C)C(=O)NC(=O)NC ZINC000072591917 343355029 /nfs/dbraw/zinc/35/50/29/343355029.db2.gz UZIJQFHYKBMIAS-SSDOTTSWSA-N 0 3 201.270 0.172 20 0 BCADHN C[C@@H](CN1CCCC1=O)NCc1cnn(C)c1 ZINC000037782833 343355236 /nfs/dbraw/zinc/35/52/36/343355236.db2.gz MUCXXFLEXDHUHK-JTQLQIEISA-N 0 3 236.319 0.521 20 0 BCADHN Cc1ccncc1NC(=O)CCOC1CNC1 ZINC000349023691 136317250 /nfs/dbraw/zinc/31/72/50/136317250.db2.gz CFAXNOMPPHRELX-UHFFFAOYSA-N 0 3 235.287 0.707 20 0 BCADHN O=C(CCOC1CNC1)NCC1CCCC1 ZINC000349025546 136318153 /nfs/dbraw/zinc/31/81/53/136318153.db2.gz HSBKTOICYAHFRG-UHFFFAOYSA-N 0 3 226.320 0.671 20 0 BCADHN CC[C@H](C)[C@@H](NC(C)=O)C(=O)NCCN(C)C ZINC000349028471 136318881 /nfs/dbraw/zinc/31/88/81/136318881.db2.gz ACGQRMAXLPGMNW-GXSJLCMTSA-N 0 3 243.351 0.215 20 0 BCADHN O=C(C[C@@H]1CCOC1)N[C@H]1CNCCC1(F)F ZINC000335653269 136305688 /nfs/dbraw/zinc/30/56/88/136305688.db2.gz FUMIDOUYLPVBJW-IUCAKERBSA-N 0 3 248.273 0.526 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)C1CC1 ZINC000335653488 136305739 /nfs/dbraw/zinc/30/57/39/136305739.db2.gz JPRWQHXNHSDLAI-SSDOTTSWSA-N 0 3 204.220 0.510 20 0 BCADHN CCO[C@@H](C)C(=O)N(C)CCN(C)C ZINC000177680565 346935496 /nfs/dbraw/zinc/93/54/96/346935496.db2.gz WZQSLLAOLDJLDY-VIFPVBQESA-N 0 3 202.298 0.431 20 0 BCADHN CC(C)CN(CCN(C)C)Cc1cn(C)nn1 ZINC000348888959 136308162 /nfs/dbraw/zinc/30/81/62/136308162.db2.gz BGYORWOQKTVGBS-UHFFFAOYSA-N 0 3 239.367 0.835 20 0 BCADHN CN(C)C(=O)NCCN(C)CCCF ZINC000348930566 136309590 /nfs/dbraw/zinc/30/95/90/136309590.db2.gz YHLWLUKCCYHIGC-UHFFFAOYSA-N 0 3 205.277 0.549 20 0 BCADHN COC[C@@H](C)N(C)CCNC(=O)N(C)C ZINC000348945458 136309936 /nfs/dbraw/zinc/30/99/36/136309936.db2.gz BQAXAUWCZPCVBV-SECBINFHSA-N 0 3 217.313 0.224 20 0 BCADHN C[C@@H]1CSCCN1C(=O)CCOC1CNC1 ZINC000348959859 136310468 /nfs/dbraw/zinc/31/04/68/136310468.db2.gz WZQAXTSYAUWLNJ-SECBINFHSA-N 0 3 244.360 0.329 20 0 BCADHN CC[C@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000348989686 136314117 /nfs/dbraw/zinc/31/41/17/136314117.db2.gz DEQBDIVKMFPCKC-JTQLQIEISA-N 0 3 242.319 0.002 20 0 BCADHN C[C@@H]1CC[C@H](C)N1C(=O)CCOC1CNC1 ZINC000348992694 136314207 /nfs/dbraw/zinc/31/42/07/136314207.db2.gz PMJWXDPMENBWND-AOOOYVTPSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@H]1CCCN1C(=O)CCOC1CNC1 ZINC000348996228 136314221 /nfs/dbraw/zinc/31/42/21/136314221.db2.gz 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259363648 /nfs/dbraw/zinc/36/36/48/259363648.db2.gz NGYKWRQUWJJRFB-LLVKDONJSA-N 0 3 232.393 0.736 20 0 BCADHN C[C@H](CNCc1cccc(C(N)=O)c1)N(C)C ZINC000045107641 343524090 /nfs/dbraw/zinc/52/40/90/343524090.db2.gz HXBPKHRBVOBYKH-SNVBAGLBSA-N 0 3 235.331 0.825 20 0 BCADHN C[C@H](CNC1CC(F)(F)C1)S(C)(=O)=O ZINC000580554561 365760406 /nfs/dbraw/zinc/76/04/06/365760406.db2.gz XPSMZXQQMPQWBH-ZCFIWIBFSA-N 0 3 227.276 0.807 20 0 BCADHN C[C@@H](CNC1CC(F)(F)C1)S(C)(=O)=O ZINC000580554560 365760463 /nfs/dbraw/zinc/76/04/63/365760463.db2.gz XPSMZXQQMPQWBH-LURJTMIESA-N 0 3 227.276 0.807 20 0 BCADHN C[C@H]1OCC[C@@H]1Cn1cc(CCN(C)C)nn1 ZINC000641160882 362246670 /nfs/dbraw/zinc/24/66/70/362246670.db2.gz RFDRRAGWOQATJF-GHMZBOCLSA-N 0 3 238.335 0.807 20 0 BCADHN Cc1ccc(CS(=O)(=O)C(C)C(N)=O)cc1 ZINC000046116100 343540399 /nfs/dbraw/zinc/54/03/99/343540399.db2.gz NOUQEPYKWDNQMU-VIFPVBQESA-N 0 3 241.312 0.784 20 0 BCADHN CC(C(N)=O)S(=O)(=O)Cc1ccc(F)cc1 ZINC000046115347 343540616 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238.331 0.907 20 0 BCADHN Nc1nc(N)nc(N2CCC(C3CC3)CC2)n1 ZINC000624238635 343585887 /nfs/dbraw/zinc/58/58/87/343585887.db2.gz VJOBIIQOOLCSLB-UHFFFAOYSA-N 0 3 234.307 0.323 20 0 BCADHN CN(C)Cc1ccccc1NC(=O)CO ZINC000580568436 365774890 /nfs/dbraw/zinc/77/48/90/365774890.db2.gz GOQWOUKYXNMVIN-UHFFFAOYSA-N 0 3 208.261 0.679 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)C[C@H]1CCOC1 ZINC000622728799 343579700 /nfs/dbraw/zinc/57/97/00/343579700.db2.gz LEYRTLNXOJQUED-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H](C(=O)N(C)C)N(C)CC(C)(C)O ZINC000086274399 343616056 /nfs/dbraw/zinc/61/60/56/343616056.db2.gz QARHUDXFCAFXII-QMMMGPOBSA-N 0 3 202.298 0.166 20 0 BCADHN CCN(CC(C)(C)O)[C@H](C)C(=O)N(C)C ZINC000086274753 343616689 /nfs/dbraw/zinc/61/66/89/343616689.db2.gz VHBHZQULDRCWCJ-SECBINFHSA-N 0 3 216.325 0.556 20 0 BCADHN OC[C@H](CNCc1ccccn1)[C@H]1CCOC1 ZINC000584106293 343597346 /nfs/dbraw/zinc/59/73/46/343597346.db2.gz SFILNOSLEVLZTB-RYUDHWBXSA-N 0 3 236.315 0.816 20 0 BCADHN CN(CC(=O)NC(N)=O)CC1CCCC1 ZINC000049492090 343599850 /nfs/dbraw/zinc/59/98/50/343599850.db2.gz ZIPWDWQJXOJRTK-UHFFFAOYSA-N 0 3 213.281 0.303 20 0 BCADHN CN[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000052395883 343600810 /nfs/dbraw/zinc/60/08/10/343600810.db2.gz ZAMWLFFLAFCLOY-NSHDSACASA-N 0 3 248.330 0.338 20 0 BCADHN CN(CCO)CCN1C(=O)c2ccccc2C1=O ZINC000049633342 343604875 /nfs/dbraw/zinc/60/48/75/343604875.db2.gz JEJISKZYFFBBMC-UHFFFAOYSA-N 0 3 248.282 0.207 20 0 BCADHN CS[C@H](C)C(=O)NC[C@@H](C)N(C)C ZINC000047856601 343606089 /nfs/dbraw/zinc/60/60/89/343606089.db2.gz AGTWSAIJHDMDGB-HTQZYQBOSA-N 0 3 204.339 0.804 20 0 BCADHN CCOC[C@H](C)NC[C@H]1CN(C)CCO1 ZINC000086005392 343608171 /nfs/dbraw/zinc/60/81/71/343608171.db2.gz JDXLHEBPNIUAHL-QWRGUYRKSA-N 0 3 216.325 0.332 20 0 BCADHN CC(C)NC(=O)CN[C@@H](CO)C(C)C ZINC000086124100 343611098 /nfs/dbraw/zinc/61/10/98/343611098.db2.gz RDTOYNNRHAXUPT-VIFPVBQESA-N 0 3 202.298 0.118 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@@H](CO)C(C)C ZINC000086124755 343611681 /nfs/dbraw/zinc/61/16/81/343611681.db2.gz PSWPUSBRAZHWJJ-UWVGGRQHSA-N 0 3 216.325 0.508 20 0 BCADHN CC[C@@H](N)C(=O)Nc1nncn1-c1ccccc1 ZINC000152940534 343612177 /nfs/dbraw/zinc/61/21/77/343612177.db2.gz LPRDUWKUWAAVBS-SNVBAGLBSA-N 0 3 245.286 0.943 20 0 BCADHN COCCNCC(=O)N(C)C1CCCC1 ZINC000086157923 343612229 /nfs/dbraw/zinc/61/22/29/343612229.db2.gz FFSCEHJYLPOMCP-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN COCCNCC(=O)NCC1CCC1 ZINC000086157939 343612636 /nfs/dbraw/zinc/61/26/36/343612636.db2.gz JPJPNZUJEAOHNT-UHFFFAOYSA-N 0 3 200.282 0.139 20 0 BCADHN COCCNCC(=O)NC[C@@H](C)C(C)C ZINC000086158368 343612650 /nfs/dbraw/zinc/61/26/50/343612650.db2.gz YOAYCOIRLJDGBF-SNVBAGLBSA-N 0 3 216.325 0.631 20 0 BCADHN COCCNCC(=O)NCCCC(C)C ZINC000086158073 343612694 /nfs/dbraw/zinc/61/26/94/343612694.db2.gz MTRRMZUCJKLMQQ-UHFFFAOYSA-N 0 3 216.325 0.775 20 0 BCADHN COCCNCC(=O)N1CCCC1(C)C ZINC000086158270 343612696 /nfs/dbraw/zinc/61/26/96/343612696.db2.gz YIGMOAOLVFHANA-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN COCCNCC(=O)N(C)CC1CCC1 ZINC000086158251 343612711 /nfs/dbraw/zinc/61/27/11/343612711.db2.gz ADPVIXPUMWEFRC-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN COCCNCC(=O)N1CCSC[C@@H]1C ZINC000086158327 343612769 /nfs/dbraw/zinc/61/27/69/343612769.db2.gz IUTFADXESSBVFG-VIFPVBQESA-N 0 3 232.349 0.186 20 0 BCADHN COCCNCC(=O)NCC(C)(C)C ZINC000086158106 343612808 /nfs/dbraw/zinc/61/28/08/343612808.db2.gz USJAVUZVAJUXCU-UHFFFAOYSA-N 0 3 202.298 0.385 20 0 BCADHN COCCNCC(=O)NCc1ccsc1 ZINC000086158275 343612851 /nfs/dbraw/zinc/61/28/51/343612851.db2.gz OPLPANIQGPGCBW-UHFFFAOYSA-N 0 3 228.317 0.600 20 0 BCADHN Cc1nc(Cn2cc([C@@H](N)C(C)(C)C)nn2)n[nH]1 ZINC000641166023 362248675 /nfs/dbraw/zinc/24/86/75/362248675.db2.gz IAIFEPDBMFUGPE-SNVBAGLBSA-N 0 3 249.322 0.799 20 0 BCADHN Cc1nnc(Cn2cc([C@@H](N)C(C)(C)C)nn2)[nH]1 ZINC000641166023 362248681 /nfs/dbraw/zinc/24/86/81/362248681.db2.gz IAIFEPDBMFUGPE-SNVBAGLBSA-N 0 3 249.322 0.799 20 0 BCADHN CCOC(=O)[C@H](C)N(C)C[C@@H]1CCCN1C ZINC000086189047 343614068 /nfs/dbraw/zinc/61/40/68/343614068.db2.gz ZVLGAKWOEIZREZ-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN COCCNCC(=O)N1CCC(C)(C)C1 ZINC000087253425 343641970 /nfs/dbraw/zinc/64/19/70/343641970.db2.gz JBJCOKUPVPCKHC-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN CCOC(=O)CCN1CC[C@@H](O)C[C@H]1C ZINC000602930125 349822646 /nfs/dbraw/zinc/82/26/46/349822646.db2.gz HIVIARGMYAQHRK-NXEZZACHSA-N 0 3 215.293 0.785 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CC[C@@H](O)C[C@H]1C ZINC000602932056 349823163 /nfs/dbraw/zinc/82/31/63/349823163.db2.gz WOCSPMPNRRNOEV-CKYFFXLPSA-N 0 3 245.319 0.146 20 0 BCADHN COCCN1CCC(C(=O)N(C)C)CC1 ZINC000053398862 343647736 /nfs/dbraw/zinc/64/77/36/343647736.db2.gz HCLUUIQIACXCNI-UHFFFAOYSA-N 0 3 214.309 0.433 20 0 BCADHN CC[C@@H](C(=O)NC1([C@H](C)O)CC1)N(C)C ZINC000620065491 343622496 /nfs/dbraw/zinc/62/24/96/343622496.db2.gz ULMINEIYVKEEMW-IUCAKERBSA-N 0 3 214.309 0.356 20 0 BCADHN CCc1cc(C(=O)N(C)CC2CN(C)C2)n[nH]1 ZINC000618195700 343628628 /nfs/dbraw/zinc/62/86/28/343628628.db2.gz URMZMBOIACRXAY-UHFFFAOYSA-N 0 3 236.319 0.606 20 0 BCADHN COC(=O)CCN1C[C@H](OC)C[C@@]1(C)CO ZINC000602963836 349826398 /nfs/dbraw/zinc/82/63/98/349826398.db2.gz JBSPCYSUBDSEIJ-KOLCDFICSA-N 0 3 231.292 0.021 20 0 BCADHN O[C@@H]1CN(C[C@H]2C[C@H]2c2ccccc2)C[C@@H]1O ZINC000093483681 537801470 /nfs/dbraw/zinc/80/14/70/537801470.db2.gz SPFLJFSCUZLYQC-RQJABVFESA-N 0 3 233.311 0.828 20 0 BCADHN CCNC(=O)CN[C@@H](COC)C1CC1 ZINC000087478382 343650361 /nfs/dbraw/zinc/65/03/61/343650361.db2.gz YUBARBAAMWQNNE-VIFPVBQESA-N 0 3 200.282 0.137 20 0 BCADHN CCNC(=O)CN[C@H](COC)C1CC1 ZINC000087478386 343650500 /nfs/dbraw/zinc/65/05/00/343650500.db2.gz YUBARBAAMWQNNE-SECBINFHSA-N 0 3 200.282 0.137 20 0 BCADHN O[C@@H]1CN(C[C@H]2C[C@@H]2c2ccccc2)C[C@@H]1O ZINC000093483682 537801576 /nfs/dbraw/zinc/80/15/76/537801576.db2.gz SPFLJFSCUZLYQC-SYQHCUMBSA-N 0 3 233.311 0.828 20 0 BCADHN CC(C)[C@@H](CO)NC(=O)[C@H](N)C1CCC1 ZINC000399172886 488228051 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/nfs/dbraw/zinc/80/61/40/529806140.db2.gz ZOHIKKBYZCYPRD-VHSXEESVSA-N 0 3 228.292 0.596 20 0 BCADHN CCOCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000088055722 343699479 /nfs/dbraw/zinc/69/94/79/343699479.db2.gz BIRCOKSPMHASPI-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CC1(C)CN(C(=O)C2(N)CC2)CCCO1 ZINC000309016031 346954903 /nfs/dbraw/zinc/95/49/03/346954903.db2.gz UNCGSPMHYWUXQL-UHFFFAOYSA-N 0 3 212.293 0.505 20 0 BCADHN CN1CC[C@](O)(CNC(=O)/C=C\C2CC2)C1 ZINC000492604951 529808985 /nfs/dbraw/zinc/80/89/85/529808985.db2.gz QTVYXQZKGTVUFN-RXNFCKPNSA-N 0 3 224.304 0.135 20 0 BCADHN CSC[C@@H](C)NC(=O)[C@H]1NCC1(C)C ZINC000380160801 343685166 /nfs/dbraw/zinc/68/51/66/343685166.db2.gz BGFDYAPWSQADTN-HTQZYQBOSA-N 0 3 216.350 0.852 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000620147972 343686851 /nfs/dbraw/zinc/68/68/51/343686851.db2.gz YAGBJYLJXNRCJZ-NWDGAFQWSA-N 0 3 240.347 0.823 20 0 BCADHN CCC(C)(C)[C@H](C)Nc1nc(N)nc(N)n1 ZINC000624386757 343745298 /nfs/dbraw/zinc/74/52/98/343745298.db2.gz WHVSZFKPVYGKLM-LURJTMIESA-N 0 3 224.312 0.355 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)CCCO ZINC000162305866 343735511 /nfs/dbraw/zinc/73/55/11/343735511.db2.gz POAROFOZPYSIPZ-NXEZZACHSA-N 0 3 237.365 0.560 20 0 BCADHN CN1C[C@H](CN2CCC[C@@H]2CCO)OC1=O ZINC000495653316 529825300 /nfs/dbraw/zinc/82/53/00/529825300.db2.gz RCRXAHDLFZDDMT-NXEZZACHSA-N 0 3 228.292 0.284 20 0 BCADHN CN1C[C@H](CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)OC1=O ZINC000496956066 529826097 /nfs/dbraw/zinc/82/60/97/529826097.db2.gz NHRNYRNNAVDZLB-LNFKQOIKSA-N 0 3 240.303 0.140 20 0 BCADHN CN1C[C@H](CN[C@@H]2CCOC2(C)C)OC1=O ZINC000496189774 529826362 /nfs/dbraw/zinc/82/63/62/529826362.db2.gz YMZYARJZBNRSNH-DTWKUNHWSA-N 0 3 228.292 0.594 20 0 BCADHN CN1C[C@H](CN[C@H]2C[C@@H](O)C2(C)C)OC1=O ZINC000496600250 529826617 /nfs/dbraw/zinc/82/66/17/529826617.db2.gz NNVMQAPGDIXQEE-XHNCKOQMSA-N 0 3 228.292 0.186 20 0 BCADHN CN1C[C@@H](CN2CCC(CCO)CC2)OC1=O ZINC000495656205 529816955 /nfs/dbraw/zinc/81/69/55/529816955.db2.gz YBTSTXWLWAXGGG-NSHDSACASA-N 0 3 242.319 0.531 20 0 BCADHN CO[C@@H](C)CN(C)C[C@@H](O)CC1(O)CCC1 ZINC000625427404 343728413 /nfs/dbraw/zinc/72/84/13/343728413.db2.gz CIINHZQUORQFIX-QWRGUYRKSA-N 0 3 231.336 0.619 20 0 BCADHN CN1C[C@@H](CN2C[C@@H](O)C(C)(C)C2)OC1=O ZINC000495662374 529817711 /nfs/dbraw/zinc/81/77/11/529817711.db2.gz SHPWKMZCPQXRDX-DTWKUNHWSA-N 0 3 228.292 0.140 20 0 BCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CC12CC2 ZINC000584168554 343768322 /nfs/dbraw/zinc/76/83/22/343768322.db2.gz OURRBPUAJLOYJB-SECBINFHSA-N 0 3 205.261 0.929 20 0 BCADHN NC(=O)[C@@]1(NCCC2CCCC2)CCOC1 ZINC000584180282 343770460 /nfs/dbraw/zinc/77/04/60/343770460.db2.gz IGLBRHCOKNKHGU-GFCCVEGCSA-N 0 3 226.320 0.801 20 0 BCADHN CNC(=O)C[C@@H](NCCC(N)=O)c1ccccc1 ZINC000584227400 343775446 /nfs/dbraw/zinc/77/54/46/343775446.db2.gz PEYSCHFLRHVBRL-LLVKDONJSA-N 0 3 249.314 0.329 20 0 BCADHN C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccco2)C[NH2+]1 ZINC000624405833 343755964 /nfs/dbraw/zinc/75/59/64/343755964.db2.gz QXLABYXVKIWOCY-DTWKUNHWSA-N 0 3 244.316 0.698 20 0 BCADHN CC(C)N(C(=O)[C@H](C)N1CCNCC1)C(C)C ZINC000261614507 534950739 /nfs/dbraw/zinc/95/07/39/534950739.db2.gz BCWNMLVBCSQLNY-LBPRGKRZSA-N 0 3 241.379 0.926 20 0 BCADHN C[C@H](Cn1cccn1)NC[C@@H](O)C(F)(F)F ZINC000082680912 133504988 /nfs/dbraw/zinc/50/49/88/133504988.db2.gz GLUAFTDHBCDZHK-HTQZYQBOSA-N 0 3 237.225 0.784 20 0 BCADHN CN(CC1CC(O)C1)C[C@H]1CN(C)C(=O)O1 ZINC000496955695 529859666 /nfs/dbraw/zinc/85/96/66/529859666.db2.gz IKWHDLOMMCRZJX-RTBKNWGFSA-N 0 3 228.292 0.140 20 0 BCADHN CNC(=O)CN[C@@H]1C[C@H](OC)C12CCC2 ZINC000308343717 529864858 /nfs/dbraw/zinc/86/48/58/529864858.db2.gz LHRIGLRSFIEBJZ-BDAKNGLRSA-N 0 3 212.293 0.280 20 0 BCADHN COC(=O)CC1(CN2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000603085821 349864819 /nfs/dbraw/zinc/86/48/19/349864819.db2.gz HNQQXVABNZGAJC-CABZTGNLSA-N 0 3 225.288 0.396 20 0 BCADHN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)CNC)C1 ZINC000262656395 349861268 /nfs/dbraw/zinc/86/12/68/349861268.db2.gz YXEWIYHFLIKPTN-IEVXNVSRSA-N 0 3 246.376 0.402 20 0 BCADHN CC(C)OC(=O)CCN1C[C@@H]2C[C@]2(O)C1 ZINC000603094797 349868356 /nfs/dbraw/zinc/86/83/56/349868356.db2.gz WYFWZUMBGOOFCU-ONGXEEELSA-N 0 3 213.277 0.395 20 0 BCADHN CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000487819642 529878609 /nfs/dbraw/zinc/87/86/09/529878609.db2.gz JJRSVKGWKATHQY-HBNTYKKESA-N 0 3 225.336 0.988 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644815169 537817565 /nfs/dbraw/zinc/81/75/65/537817565.db2.gz OTGSWPALSTYCBD-VLEAKVRGSA-N 0 3 208.305 0.805 20 0 BCADHN CC(C)[C@@H](C)N(C)C(=O)NC[C@H]1CNCCO1 ZINC000418760764 192066722 /nfs/dbraw/zinc/06/67/22/192066722.db2.gz HHIXJCCYFOBMMJ-GHMZBOCLSA-N 0 3 243.351 0.661 20 0 BCADHN CNC(=O)[C@@H]1CCCN1CCCC(=O)N(C)C ZINC000683897428 488239214 /nfs/dbraw/zinc/23/92/14/488239214.db2.gz BYKOAFHZDQXYFG-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CCCN(CCC)C(=O)NC[C@H]1CNCCO1 ZINC000418755072 192066882 /nfs/dbraw/zinc/06/68/82/192066882.db2.gz BLRFYAXUHFPGKR-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN C[C@@H](CCNC1CSC1)[S@](C)=O ZINC000393339441 343835086 /nfs/dbraw/zinc/83/50/86/343835086.db2.gz TXKQNBHWXIVNFF-MADCSZMMSA-N 0 3 207.364 0.849 20 0 BCADHN COC[C@@H](C)CN1CCCN(C(C)=O)CC1 ZINC000189598711 346990781 /nfs/dbraw/zinc/99/07/81/346990781.db2.gz GHDVJNFRHMWLOS-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN COC[C@H](C)CN1CCCN(C(C)=O)CC1 ZINC000189598737 346990845 /nfs/dbraw/zinc/99/08/45/346990845.db2.gz GHDVJNFRHMWLOS-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN C[C@@H]1C[C@@H](C)N(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000418755152 192066581 /nfs/dbraw/zinc/06/65/81/192066581.db2.gz BQHBAVTYFGCRQR-MXWKQRLJSA-N 0 3 241.335 0.415 20 0 BCADHN CO[C@H]1CCN(CCc2cn(C)nn2)C[C@H]1C ZINC000625457812 343859895 /nfs/dbraw/zinc/85/98/95/343859895.db2.gz QIUXCYXGOHFYJP-PWSUYJOCSA-N 0 3 238.335 0.714 20 0 BCADHN CCN(C)CCNC(=O)CCn1cccn1 ZINC000066958688 343884975 /nfs/dbraw/zinc/88/49/75/343884975.db2.gz DTBCHNBGNQQOJC-UHFFFAOYSA-N 0 3 224.308 0.341 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CNCC(C)(C)F ZINC000634723647 343890824 /nfs/dbraw/zinc/89/08/24/343890824.db2.gz ZXLLTCXPNHQQGV-UWVGGRQHSA-N 0 3 237.315 0.737 20 0 BCADHN Nc1ccoc1C(=O)N1CCCNCC1 ZINC000313159994 343911402 /nfs/dbraw/zinc/91/14/02/343911402.db2.gz HURYPGTXSFVUQL-UHFFFAOYSA-N 0 3 209.249 0.297 20 0 BCADHN C[C@H](N[C@@H]1COC[C@H]1O)[C@@H]1CCCCO1 ZINC000393600441 343899403 /nfs/dbraw/zinc/89/94/03/343899403.db2.gz QYTHGJRBINABNO-ZDCRXTMVSA-N 0 3 215.293 0.293 20 0 BCADHN Cn1cnc2c1ncnc2NCCN1CCCC1 ZINC000624497139 343911817 /nfs/dbraw/zinc/91/18/17/343911817.db2.gz XRUQIHUBBUQNRG-UHFFFAOYSA-N 0 3 246.318 0.871 20 0 BCADHN C[C@H](CC[S@@](C)=O)NCc1cn[nH]c1 ZINC000393675952 343910228 /nfs/dbraw/zinc/91/02/28/343910228.db2.gz XGUMRPKKWHNXAK-XLKFXECMSA-N 0 3 215.322 0.656 20 0 BCADHN CN(C)CCN(C)C(=O)CCc1ccnn1C ZINC000128978184 343945285 /nfs/dbraw/zinc/94/52/85/343945285.db2.gz ZSHIAMPYZYXOAW-UHFFFAOYSA-N 0 3 238.335 0.373 20 0 BCADHN CNC(C)(C)c1cn(CCc2cncn2C)nn1 ZINC000641173057 362252781 /nfs/dbraw/zinc/25/27/81/362252781.db2.gz JDBITPHMMONVML-UHFFFAOYSA-N 0 3 248.334 0.709 20 0 BCADHN CNCc1cn(Cc2nnc(C(C)C)[nH]2)nn1 ZINC000641170563 362253403 /nfs/dbraw/zinc/25/34/03/362253403.db2.gz CHHVJACEOCQYIL-UHFFFAOYSA-N 0 3 235.295 0.287 20 0 BCADHN CNCc1cn(Cc2n[nH]c(C(C)C)n2)nn1 ZINC000641170563 362253406 /nfs/dbraw/zinc/25/34/06/362253406.db2.gz CHHVJACEOCQYIL-UHFFFAOYSA-N 0 3 235.295 0.287 20 0 BCADHN CN[C@H](C)c1cn([C@H](C)c2n[nH]c(C)n2)nn1 ZINC000641178738 362256600 /nfs/dbraw/zinc/25/66/00/362256600.db2.gz ASHIQQKWXBIMEQ-RNFRBKRXSA-N 0 3 235.295 0.594 20 0 BCADHN CN[C@H](C)c1cn([C@H](C)c2nnc(C)[nH]2)nn1 ZINC000641178738 362256604 /nfs/dbraw/zinc/25/66/04/362256604.db2.gz ASHIQQKWXBIMEQ-RNFRBKRXSA-N 0 3 235.295 0.594 20 0 BCADHN CC[C@@H](N)c1cn([C@@H](C)c2n[nH]c(C)n2)nn1 ZINC000641177749 362257567 /nfs/dbraw/zinc/25/75/67/362257567.db2.gz KEILYAAILICEPD-POYBYMJQSA-N 0 3 235.295 0.724 20 0 BCADHN CCn1cc(Cn2cc(CN)cn2)nn1 ZINC000641187262 362258241 /nfs/dbraw/zinc/25/82/41/362258241.db2.gz HTXVEVRMEUPXOJ-UHFFFAOYSA-N 0 3 206.253 0.002 20 0 BCADHN Cn1cc(CCN2C[C@H]3COC[C@@]3(C)C2)nn1 ZINC000625538702 343925124 /nfs/dbraw/zinc/92/51/24/343925124.db2.gz NUMHLMBTNXYFEC-CMPLNLGQSA-N 0 3 236.319 0.326 20 0 BCADHN CCOC[C@H](C)NC[C@H]1CCCS1(=O)=O ZINC000090468584 343932039 /nfs/dbraw/zinc/93/20/39/343932039.db2.gz RHOULJGMHGVWKB-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CCOC[C@@H](C)NC[C@H]1CCCS1(=O)=O ZINC000090468583 343932046 /nfs/dbraw/zinc/93/20/46/343932046.db2.gz RHOULJGMHGVWKB-NXEZZACHSA-N 0 3 235.349 0.578 20 0 BCADHN C[C@H](CN1CCCC1=O)NCc1cn[nH]c1 ZINC000309583929 343933163 /nfs/dbraw/zinc/93/31/63/343933163.db2.gz REQPMGZKPLQQAJ-SECBINFHSA-N 0 3 222.292 0.510 20 0 BCADHN CCc1nc([C@@H](C)n2cc([C@H](N)CC)nn2)n[nH]1 ZINC000641205048 362269910 /nfs/dbraw/zinc/26/99/10/362269910.db2.gz GZRVAVFWZSVILO-HTQZYQBOSA-N 0 3 249.322 0.978 20 0 BCADHN CN(C)CCc1cn([C@@H]2CCCC[C@H]2O)nn1 ZINC000641209041 362270702 /nfs/dbraw/zinc/27/07/02/362270702.db2.gz RBUPRAPZRFFTJS-VXGBXAGGSA-N 0 3 238.335 0.858 20 0 BCADHN CCNCc1cn([C@H](C)c2n[nH]c(CC)n2)nn1 ZINC000641210551 362273347 /nfs/dbraw/zinc/27/33/47/362273347.db2.gz WFFLARNVOSAVSS-MRVPVSSYSA-N 0 3 249.322 0.677 20 0 BCADHN CCNCc1cn([C@H](C)c2nnc(CC)[nH]2)nn1 ZINC000641210551 362273356 /nfs/dbraw/zinc/27/33/56/362273356.db2.gz WFFLARNVOSAVSS-MRVPVSSYSA-N 0 3 249.322 0.677 20 0 BCADHN CC[C@](C)(O)Cn1cc(CCN(C)C)nn1 ZINC000641216015 362275063 /nfs/dbraw/zinc/27/50/63/362275063.db2.gz CMVGIFMVMRWUGP-NSHDSACASA-N 0 3 226.324 0.543 20 0 BCADHN C[C@H](O)Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000641213990 362276017 /nfs/dbraw/zinc/27/60/17/362276017.db2.gz VZQRMKGXOQMIAJ-IONNQARKSA-N 0 3 212.297 0.705 20 0 BCADHN C[C@@H](C(=O)NCCN1CCC[C@H](C)C1)N(C)C ZINC000674245748 487535537 /nfs/dbraw/zinc/53/55/37/487535537.db2.gz WCVFAWGZOVLYJR-RYUDHWBXSA-N 0 3 241.379 0.785 20 0 BCADHN Cc1ncc([C@H](C)NCCC(N)=O)s1 ZINC000634727211 343958359 /nfs/dbraw/zinc/95/83/59/343958359.db2.gz NQMNZAINKNVWRD-LURJTMIESA-N 0 3 213.306 0.978 20 0 BCADHN CC[C@](C)(N)c1cn(C[C@](C)(O)C(C)=O)nn1 ZINC000641216329 362279900 /nfs/dbraw/zinc/27/99/00/362279900.db2.gz GGLYEUDXYSFXQE-QWRGUYRKSA-N 0 3 240.307 0.202 20 0 BCADHN CCOCC[C@@H](O)Cn1cc([C@H](N)CC)nn1 ZINC000641226548 362283243 /nfs/dbraw/zinc/28/32/43/362283243.db2.gz LNCFBNYPZLWFJI-NXEZZACHSA-N 0 3 242.323 0.475 20 0 BCADHN CC[C@@](C)(N)c1cn(CCCOC)nn1 ZINC000395180082 362321737 /nfs/dbraw/zinc/32/17/37/362321737.db2.gz QLHIDHBUDRAMPY-SNVBAGLBSA-N 0 3 212.297 0.899 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](CCO)C(C)C ZINC000129816372 344064577 /nfs/dbraw/zinc/06/45/77/344064577.db2.gz BGZSUJIFDZUBGZ-RKDXNWHRSA-N 0 3 202.298 0.247 20 0 BCADHN CN(CCn1ccccc1=O)CC1(C)COC1 ZINC000625788227 344072987 /nfs/dbraw/zinc/07/29/87/344072987.db2.gz LIXIJOKBAXYPGE-UHFFFAOYSA-N 0 3 236.315 0.817 20 0 BCADHN COC[C@@H](C)CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000620397206 344073138 /nfs/dbraw/zinc/07/31/38/344073138.db2.gz DVVLYONJDWFSGA-WDEREUQCSA-N 0 3 243.351 0.662 20 0 BCADHN COC1CC(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000624611222 344102541 /nfs/dbraw/zinc/10/25/41/344102541.db2.gz LSJXMARIFLAKEZ-SQLBVSGCSA-N 0 3 238.331 0.764 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000130032313 344104512 /nfs/dbraw/zinc/10/45/12/344104512.db2.gz SNBRLCANBHUBIH-SCVCMEIPSA-N 0 3 228.336 0.781 20 0 BCADHN Cn1ccnc1[C@H]1CCN(CCOCCO)C1 ZINC000570694338 323067324 /nfs/dbraw/zinc/06/73/24/323067324.db2.gz FZFAPRPAKUDBID-NSHDSACASA-N 0 3 239.319 0.218 20 0 BCADHN CNC(=O)CN(C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187974070 259372584 /nfs/dbraw/zinc/37/25/84/259372584.db2.gz VIRWSZZOJKJXIH-ONGXEEELSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H](CN[C@@H]1CCCC[C@@H]1O)S(C)(=O)=O ZINC000634731424 344076885 /nfs/dbraw/zinc/07/68/85/344076885.db2.gz VJCUGUNRRCFLIV-AEJSXWLSSA-N 0 3 235.349 0.313 20 0 BCADHN CN(CCN1C(=O)CCC1=O)CC1(C)COC1 ZINC000625794610 344077470 /nfs/dbraw/zinc/07/74/70/344077470.db2.gz RQSMBXHDXXBLGD-UHFFFAOYSA-N 0 3 240.303 0.104 20 0 BCADHN COCCCN(C)CCNC(=O)C12CC(C1)C2 ZINC000625807633 344079963 /nfs/dbraw/zinc/07/99/63/344079963.db2.gz UFQOWPBAPNYILC-UHFFFAOYSA-N 0 3 240.347 0.871 20 0 BCADHN CC[C@@](C)(N)c1cn(C[C@@H](O)CSC)nn1 ZINC000603260672 349901959 /nfs/dbraw/zinc/90/19/59/349901959.db2.gz PZAXQORRWFAISF-PSASIEDQSA-N 0 3 244.364 0.586 20 0 BCADHN CNS(=O)(=O)C1CCN(CC2CCC2)CC1 ZINC000335912512 344085012 /nfs/dbraw/zinc/08/50/12/344085012.db2.gz DGXQGMVNCCFOJU-UHFFFAOYSA-N 0 3 246.376 0.800 20 0 BCADHN CC[C@@](C)(N)c1cn(C[C@H](O)CSC)nn1 ZINC000603260674 349902183 /nfs/dbraw/zinc/90/21/83/349902183.db2.gz PZAXQORRWFAISF-WCBMZHEXSA-N 0 3 244.364 0.586 20 0 BCADHN O=C1CCC(=O)N1CCN(C1CC1)C1CC1 ZINC000625836764 344089817 /nfs/dbraw/zinc/08/98/17/344089817.db2.gz FZNXBKNQJXNRRE-UHFFFAOYSA-N 0 3 222.288 0.762 20 0 BCADHN C(CN1CCOCC1)N(C1CC1)C1CC1 ZINC000625838837 344091744 /nfs/dbraw/zinc/09/17/44/344091744.db2.gz LWCUBCSVHQFZKW-UHFFFAOYSA-N 0 3 210.321 0.945 20 0 BCADHN CNS(=O)(=O)CCCN(C1CC1)C1CC1 ZINC000625839468 344092831 /nfs/dbraw/zinc/09/28/31/344092831.db2.gz ZYZWSLJSDYCOGH-UHFFFAOYSA-N 0 3 232.349 0.553 20 0 BCADHN C[C@@H]1NC(=O)N(CCN(C2CC2)C2CC2)C1=O ZINC000625842116 344093676 /nfs/dbraw/zinc/09/36/76/344093676.db2.gz WOVZTJREDDLFEW-QMMMGPOBSA-N 0 3 237.303 0.554 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1CCCOCC1 ZINC000306288142 344099149 /nfs/dbraw/zinc/09/91/49/344099149.db2.gz LZNMFYQNDOAICP-QMMMGPOBSA-N 0 3 200.282 0.409 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000130192289 344120276 /nfs/dbraw/zinc/12/02/76/344120276.db2.gz UFUQTHIUNRXQME-DTWKUNHWSA-N 0 3 241.335 0.239 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cc(Cl)c(=O)n(C)c1 ZINC000130234163 344125469 /nfs/dbraw/zinc/12/54/69/344125469.db2.gz VPHBOVIAGFZMOG-MRVPVSSYSA-N 0 3 243.694 0.715 20 0 BCADHN CC[C@@H](N)c1cn(C[C@H](O)CSC)nn1 ZINC000603262633 349902844 /nfs/dbraw/zinc/90/28/44/349902844.db2.gz WLNVBDVNEKZXEC-JGVFFNPUSA-N 0 3 230.337 0.412 20 0 BCADHN CN1CCC[C@H]1CNc1nccnc1C(N)=O ZINC000641309929 362359665 /nfs/dbraw/zinc/35/96/65/362359665.db2.gz MYXIYLJSMQBJJG-QMMMGPOBSA-N 0 3 235.291 0.082 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)N1CCCC(F)(F)CC1 ZINC000634738163 344143435 /nfs/dbraw/zinc/14/34/35/344143435.db2.gz IZQAOJLUTLVYQR-BDAKNGLRSA-N 0 3 248.273 0.750 20 0 BCADHN CC[C@@H](O)CN(C)[C@@H]1CCCCN(C)C1=O ZINC000634739387 344160805 /nfs/dbraw/zinc/16/08/05/344160805.db2.gz SRFPSPDZSBBQSW-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN CO[C@H](C)CN(C)[C@@H]1CCCCN(C)C1=O ZINC000634743046 344161424 /nfs/dbraw/zinc/16/14/24/344161424.db2.gz HQYNSGPMPAYLBW-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)(N)C(=O)N1CCOCC(F)(F)C1 ZINC000634739882 344162253 /nfs/dbraw/zinc/16/22/53/344162253.db2.gz IIIACKLTQQWKDL-UHFFFAOYSA-N 0 3 222.235 0.218 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCOCC(F)(F)C1 ZINC000634740158 344162280 /nfs/dbraw/zinc/16/22/80/344162280.db2.gz PWHJGOFZZKZNSR-MRVPVSSYSA-N 0 3 248.273 0.479 20 0 BCADHN [NH3+]CCCCC(=O)Nc1ncccc1[O-] ZINC000128601013 344207192 /nfs/dbraw/zinc/20/71/92/344207192.db2.gz BQWFYTSFTVIXTK-UHFFFAOYSA-N 0 3 209.249 0.855 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000234815823 344210115 /nfs/dbraw/zinc/21/01/15/344210115.db2.gz ZQAWSHDMAAISKE-CHWSQXEVSA-N 0 3 248.326 0.976 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000564927761 344211899 /nfs/dbraw/zinc/21/18/99/344211899.db2.gz ZYMNSNIRPFIVBI-NXEZZACHSA-N 0 3 236.319 0.158 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCSC1 ZINC000129562309 344213687 /nfs/dbraw/zinc/21/36/87/344213687.db2.gz XYBXIPBNVNDZNN-IUCAKERBSA-N 0 3 237.390 0.905 20 0 BCADHN CC[NH+]1CCC(NC(=O)c2cnn[n-]2)CC1 ZINC000088342087 344239479 /nfs/dbraw/zinc/23/94/79/344239479.db2.gz TWDIYXVJEPGFCU-UHFFFAOYSA-N 0 3 223.280 0.019 20 0 BCADHN COC[C@@H](NCc1n[nH]c(C)n1)C1CC1 ZINC000129815425 344216197 /nfs/dbraw/zinc/21/61/97/344216197.db2.gz UMYIEIOHNBUUQQ-SECBINFHSA-N 0 3 210.281 0.628 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC000129959350 344217495 /nfs/dbraw/zinc/21/74/95/344217495.db2.gz NPFZINGCCHRFHW-IWSPIJDZSA-N 0 3 200.282 0.230 20 0 BCADHN CCOC[C@@H]1CCN(C(=O)[C@H](N)CC)C1 ZINC000130155242 344219064 /nfs/dbraw/zinc/21/90/64/344219064.db2.gz QFTIPKDOSIJDPM-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@@H](CO)CN1CCO[C@@H](C(F)F)CC1 ZINC000634757076 344220917 /nfs/dbraw/zinc/22/09/17/344220917.db2.gz KZWZVCDDLVGQDQ-RKDXNWHRSA-N 0 3 223.263 0.971 20 0 BCADHN CCn1cc(CN[C@H](C)CN(C)C)cn1 ZINC000130533292 344222399 /nfs/dbraw/zinc/22/23/99/344222399.db2.gz WLVPMQKILCNZGW-SNVBAGLBSA-N 0 3 210.325 0.943 20 0 BCADHN CCCC[C@@H](COC)N[C@H](C)C(=O)NC ZINC000131212005 344230730 /nfs/dbraw/zinc/23/07/30/344230730.db2.gz SHFRYWYRAWQPTE-ZJUUUORDSA-N 0 3 216.325 0.916 20 0 BCADHN CCN(Cc1ccccn1)C[C@H](O)COC ZINC000087332519 344232484 /nfs/dbraw/zinc/23/24/84/344232484.db2.gz ZSADTQFDWBTQJU-LBPRGKRZSA-N 0 3 224.304 0.911 20 0 BCADHN Cn1cc(CN2C[C@@H]3COC[C@@H]3C2)cn1 ZINC000634747419 344180445 /nfs/dbraw/zinc/18/04/45/344180445.db2.gz JZUCMQRGGJCUOX-PHIMTYICSA-N 0 3 207.277 0.498 20 0 BCADHN CSC[C@@H](C)C(=O)N[C@H](CO)CN(C)C ZINC000588864806 344195852 /nfs/dbraw/zinc/19/58/52/344195852.db2.gz SDBDBDVPWCWMCW-BDAKNGLRSA-N 0 3 234.365 0.024 20 0 BCADHN CS[C@H](C)CC(=O)N[C@@H](CO)CN(C)C ZINC000588866169 344196629 /nfs/dbraw/zinc/19/66/29/344196629.db2.gz GIUSEXGXMYNQEX-RKDXNWHRSA-N 0 3 234.365 0.167 20 0 BCADHN CN(C1CCCCC1)S(=O)(=O)NC1CNC1 ZINC000085256489 344203893 /nfs/dbraw/zinc/20/38/93/344203893.db2.gz CYQJYPBEBIYXFL-UHFFFAOYSA-N 0 3 247.364 0.057 20 0 BCADHN COC[C@@H](O)CN1CCO[C@H](C(F)F)CC1 ZINC000634752257 344204451 /nfs/dbraw/zinc/20/44/51/344204451.db2.gz IMWPEGAYFXIZHY-IUCAKERBSA-N 0 3 239.262 0.350 20 0 BCADHN CC[C@@H](N)C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000634752668 344205033 /nfs/dbraw/zinc/20/50/33/344205033.db2.gz QJAHERSKWZRMBU-HTQZYQBOSA-N 0 3 236.262 0.606 20 0 BCADHN Cc1cncnc1N1CCCN(CCO)CC1 ZINC000641345548 362371909 /nfs/dbraw/zinc/37/19/09/362371909.db2.gz FBFAKNGIQNQJPY-UHFFFAOYSA-N 0 3 236.319 0.289 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1C[C@]1(C)OC ZINC000620557555 344262669 /nfs/dbraw/zinc/26/26/69/344262669.db2.gz IHEJFDASJQOMLC-KOLCDFICSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCOCC1CC1 ZINC000132160209 344281083 /nfs/dbraw/zinc/28/10/83/344281083.db2.gz CZHFDZVZHDVWRL-VIFPVBQESA-N 0 3 235.349 0.436 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCOCC1CC1 ZINC000132160401 344281178 /nfs/dbraw/zinc/28/11/78/344281178.db2.gz CZHFDZVZHDVWRL-SECBINFHSA-N 0 3 235.349 0.436 20 0 BCADHN CC(C)[C@@H](O)CCN[C@@H](C)CS(C)(=O)=O ZINC000132206082 344283734 /nfs/dbraw/zinc/28/37/34/344283734.db2.gz VEOQCWSFURBCQX-UWVGGRQHSA-N 0 3 237.365 0.416 20 0 BCADHN CO[C@H](C)C(=O)N1CCCN(C(C)C)CC1 ZINC000068775416 362378919 /nfs/dbraw/zinc/37/89/19/362378919.db2.gz XDWIZBACMXBUDD-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634774603 344294093 /nfs/dbraw/zinc/29/40/93/344294093.db2.gz YMQWNHSCXCUXAD-AXFHLTTASA-N 0 3 226.320 0.465 20 0 BCADHN CN(CC(=O)N1C[C@@H]2COC[C@@H]2C1)C1CCC1 ZINC000634774158 344294247 /nfs/dbraw/zinc/29/42/47/344294247.db2.gz DSMHKTAQZSCNBW-PHIMTYICSA-N 0 3 238.331 0.576 20 0 BCADHN O=c1ccccn1CCN1C[C@@H]2COC[C@@H]2C1 ZINC000634779806 344317159 /nfs/dbraw/zinc/31/71/59/344317159.db2.gz GXCARMPDRGCFRF-TXEJJXNPSA-N 0 3 234.299 0.427 20 0 BCADHN C[C@@H](NCC1(O)CCC1)c1cnn(C)c1 ZINC000133424685 344318304 /nfs/dbraw/zinc/31/83/04/344318304.db2.gz FSFPBCHVOOFLAX-SECBINFHSA-N 0 3 209.293 0.986 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634782476 344325300 /nfs/dbraw/zinc/32/53/00/344325300.db2.gz PKQDSBLQSCEQNC-SDDRHHMPSA-N 0 3 240.347 0.725 20 0 BCADHN CN(C)CC(=O)Nc1ccc2c(c1)CNC2 ZINC000144889016 344328431 /nfs/dbraw/zinc/32/84/31/344328431.db2.gz WOKCMHRRVVNWSJ-UHFFFAOYSA-N 0 3 219.288 0.790 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN(C(C)C)CC1 ZINC000036190054 344332030 /nfs/dbraw/zinc/33/20/30/344332030.db2.gz SYVOFLNKVQHLQI-VXGBXAGGSA-N 0 3 241.379 0.912 20 0 BCADHN CC[C@H](C)NC(=O)CN1CCC[C@@H](N(C)C)C1 ZINC000247587688 344352767 /nfs/dbraw/zinc/35/27/67/344352767.db2.gz MNEVGDRFCUGUDJ-NWDGAFQWSA-N 0 3 241.379 0.927 20 0 BCADHN CSCC[C@H](N)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000131851345 344353262 /nfs/dbraw/zinc/35/32/62/344353262.db2.gz CVMQUVZGLISJAB-BBBLOLIVSA-N 0 3 245.392 0.276 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@@H](C)C(=O)N(C)C ZINC000132395952 344299730 /nfs/dbraw/zinc/29/97/30/344299730.db2.gz JJKBSFDNCGGDIG-HRDYMLBCSA-N 0 3 202.298 0.476 20 0 BCADHN CN(C[C@H]1CCOC1)C(=O)C1CCN(C)CC1 ZINC000487917203 529971010 /nfs/dbraw/zinc/97/10/10/529971010.db2.gz QSLRMXZJPCFUBC-LLVKDONJSA-N 0 3 240.347 0.823 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1COCCO1)N1CCCC1 ZINC000042509920 344437099 /nfs/dbraw/zinc/43/70/99/344437099.db2.gz RGCVHBINYGZMFL-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC000584292731 344427601 /nfs/dbraw/zinc/42/76/01/344427601.db2.gz IAFREQMEOLSHLF-LURQLKTLSA-N 0 3 200.257 0.731 20 0 BCADHN C[NH2+]CCSCCCOC([O-])=NC(N)=O ZINC000496937905 529979196 /nfs/dbraw/zinc/97/91/96/529979196.db2.gz LGSDTSOGPPEPNK-UHFFFAOYSA-N 0 3 235.309 0.134 20 0 BCADHN C[NH2+]CCSCCCOC(=O)N=C(N)[O-] ZINC000496937905 529979198 /nfs/dbraw/zinc/97/91/98/529979198.db2.gz LGSDTSOGPPEPNK-UHFFFAOYSA-N 0 3 235.309 0.134 20 0 BCADHN C[NH2+]CCSCCCOC(=O)[N-]C(N)=O ZINC000496937905 529979200 /nfs/dbraw/zinc/97/92/00/529979200.db2.gz LGSDTSOGPPEPNK-UHFFFAOYSA-N 0 3 235.309 0.134 20 0 BCADHN C[C@@H]1CC[C@H](C)CN1CC(=O)N1CCNC1=O ZINC000072896955 344384623 /nfs/dbraw/zinc/38/46/23/344384623.db2.gz KBHGCYHTRGCDIX-VHSXEESVSA-N 0 3 239.319 0.659 20 0 BCADHN C[C@@H]1CC[C@@H](C)N(CC(=O)N2CCNC2=O)C1 ZINC000072896954 344384768 /nfs/dbraw/zinc/38/47/68/344384768.db2.gz KBHGCYHTRGCDIX-NXEZZACHSA-N 0 3 239.319 0.659 20 0 BCADHN C[C@@H]1CN(c2ncnc3c2ncn3C)CCN1 ZINC000634807249 344391934 /nfs/dbraw/zinc/39/19/34/344391934.db2.gz DFOQSVJFAAZLIJ-MRVPVSSYSA-N 0 3 232.291 0.161 20 0 BCADHN C[C@H]1CN(c2ncnc3c2OCCN3)CCN1 ZINC000634807309 344392122 /nfs/dbraw/zinc/39/21/22/344392122.db2.gz GIUNENAGIMPKRJ-QMMMGPOBSA-N 0 3 235.291 0.079 20 0 BCADHN C[C@H]1C[C@H](N=c2ncnc3[nH][n-]cc2-3)CC[NH2+]1 ZINC000634808276 344393254 /nfs/dbraw/zinc/39/32/54/344393254.db2.gz NUKWYSQJWDUOAD-JGVFFNPUSA-N 0 3 232.291 0.279 20 0 BCADHN C[C@H]1CN(c2ncnc3c2ncn3C)CCN1 ZINC000634807877 344394270 /nfs/dbraw/zinc/39/42/70/344394270.db2.gz DFOQSVJFAAZLIJ-QMMMGPOBSA-N 0 3 232.291 0.161 20 0 BCADHN c1[n-][nH]c2ncnc(=NCCC[NH2+]C3CC3)c1-2 ZINC000634811052 344395961 /nfs/dbraw/zinc/39/59/61/344395961.db2.gz RFIALIDFQYNDPM-UHFFFAOYSA-N 0 3 232.291 0.280 20 0 BCADHN CCN1CCN([C@H]2CCN(CCOC)C2)CC1 ZINC000107368986 347050817 /nfs/dbraw/zinc/05/08/17/347050817.db2.gz CATKFOYMADXSHM-ZDUSSCGKSA-N 0 3 241.379 0.345 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)CCCCO)CN1C1CC1 ZINC000678478055 488259349 /nfs/dbraw/zinc/25/93/49/488259349.db2.gz RLXRBMYUNNOIRL-MNOVXSKESA-N 0 3 240.347 0.890 20 0 BCADHN C/C=C/CNC(=O)NC[C@@H]1CCCN1C ZINC000623716843 344409713 /nfs/dbraw/zinc/40/97/13/344409713.db2.gz ZZMIVAFMLPIOJJ-FSIBCCDJSA-N 0 3 211.309 0.956 20 0 BCADHN C[C@H](Cn1ccnc1)NC(=O)C(C)(C)N ZINC000040921049 344410803 /nfs/dbraw/zinc/41/08/03/344410803.db2.gz UBLFPRHEUIEKLF-MRVPVSSYSA-N 0 3 210.281 0.125 20 0 BCADHN C[C@H](NC(=O)C(C)(C)N)c1ccccn1 ZINC000040920698 344410837 /nfs/dbraw/zinc/41/08/37/344410837.db2.gz CXVGJBNEJREFOV-QMMMGPOBSA-N 0 3 207.277 0.996 20 0 BCADHN C[C@H](NC(=O)C(C)(C)N)c1cccnc1 ZINC000040920688 344410898 /nfs/dbraw/zinc/41/08/98/344410898.db2.gz FEVOLGIBQVWPMS-QMMMGPOBSA-N 0 3 207.277 0.996 20 0 BCADHN CSCC[C@H](N)C(=O)NCc1nccs1 ZINC000041013442 344411876 /nfs/dbraw/zinc/41/18/76/344411876.db2.gz JOSQUXWCZFRBPF-ZETCQYMHSA-N 0 3 245.373 0.840 20 0 BCADHN CN1C[C@@H]2CCCN(C(=O)c3cnccn3)[C@@H]2C1 ZINC000425044499 192070906 /nfs/dbraw/zinc/07/09/06/192070906.db2.gz HVIDSUCHSINYKI-CMPLNLGQSA-N 0 3 246.314 0.643 20 0 BCADHN CC(C)(C)C1=CCN(c2nc(N)nc(N)n2)CC1 ZINC000624067425 344440529 /nfs/dbraw/zinc/44/05/29/344440529.db2.gz WHEBDHVZLZXKRA-UHFFFAOYSA-N 0 3 248.334 0.879 20 0 BCADHN CCN(CCNC(=O)N[C@H](C)CCO)C1CC1 ZINC000119602771 344441236 /nfs/dbraw/zinc/44/12/36/344441236.db2.gz HPDNFHQEIFCXBR-SNVBAGLBSA-N 0 3 243.351 0.541 20 0 BCADHN COC(=O)CCN1CCC(CC(N)=O)CC1 ZINC000042251012 344447864 /nfs/dbraw/zinc/44/78/64/344447864.db2.gz LTISORHURNLTCQ-UHFFFAOYSA-N 0 3 228.292 0.137 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@H](C)C(=O)OC ZINC000042317104 344450063 /nfs/dbraw/zinc/45/00/63/344450063.db2.gz SOWFCRLUNPURSS-HTQZYQBOSA-N 0 3 216.281 0.182 20 0 BCADHN C[C@@H](N)C(=O)N(C)CCc1ccncc1 ZINC000042476949 344456167 /nfs/dbraw/zinc/45/61/67/344456167.db2.gz VLNOXOOIJBLIQC-SECBINFHSA-N 0 3 207.277 0.430 20 0 BCADHN CCCN1CC[C@H](NC(=O)COCC)C1 ZINC000389337534 344460116 /nfs/dbraw/zinc/46/01/16/344460116.db2.gz IOSYUZKDWLKZBW-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@H]1CCCCO1 ZINC000042823845 344468793 /nfs/dbraw/zinc/46/87/93/344468793.db2.gz ZOIFJMZKHBVCCR-ZJUUUORDSA-N 0 3 214.309 0.799 20 0 BCADHN CNC(=O)N[C@@H]1CCN(C[C@H]2CC[C@@H](C)O2)C1 ZINC000408307912 344478765 /nfs/dbraw/zinc/47/87/65/344478765.db2.gz GFIAAENKLAFFCG-GMTAPVOTSA-N 0 3 241.335 0.557 20 0 BCADHN Cc1n[nH]cc1CN[C@@H](C)Cn1cncn1 ZINC000381299581 344493379 /nfs/dbraw/zinc/49/33/79/344493379.db2.gz HRZGOAVFUNYDKY-QMMMGPOBSA-N 0 3 220.280 0.488 20 0 BCADHN CCCCOCCN[C@H](CO)[C@H]1CCCO1 ZINC000310009665 344495890 /nfs/dbraw/zinc/49/58/90/344495890.db2.gz ICZRVVSGSRFSSY-VXGBXAGGSA-N 0 3 231.336 0.933 20 0 BCADHN COC(=O)[C@@H]1CNCCCN1CC1CC1 ZINC000381484962 344511537 /nfs/dbraw/zinc/51/15/37/344511537.db2.gz HSNYFEHOZRKRPX-JTQLQIEISA-N 0 3 212.293 0.233 20 0 BCADHN c1n[nH]cc1CN[C@@H]1CCN(CC2CC2)C1 ZINC000381501406 344513417 /nfs/dbraw/zinc/51/34/17/344513417.db2.gz OYPHMFVMGQJIOY-GFCCVEGCSA-N 0 3 220.320 0.984 20 0 BCADHN COC(=O)CN1CCN(C2CCCC2)CC1 ZINC000045823067 344576297 /nfs/dbraw/zinc/57/62/97/344576297.db2.gz WFBUWILDKWPQSM-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN CS(=O)(=O)Nc1cccc(CNCCO)c1 ZINC000381591717 344524432 /nfs/dbraw/zinc/52/44/32/344524432.db2.gz JRXGXCRKCYORBB-UHFFFAOYSA-N 0 3 244.316 0.140 20 0 BCADHN CSCCNC(=O)[C@H](N)CC(C)C ZINC000069013702 344537109 /nfs/dbraw/zinc/53/71/09/344537109.db2.gz JXTPSTZMVLNYFY-MRVPVSSYSA-N 0 3 204.339 0.839 20 0 BCADHN CC(C(=O)N1CC(C)(C)C1)S(C)(=O)=O ZINC000684085730 488263357 /nfs/dbraw/zinc/26/33/57/488263357.db2.gz SQIVNKWHPWMXNO-ZETCQYMHSA-N 0 3 219.306 0.288 20 0 BCADHN COc1ccc(CCNC2(C(N)=O)CC2)cc1 ZINC000152412169 344549395 /nfs/dbraw/zinc/54/93/95/344549395.db2.gz NTCUJCJHBDVUNK-UHFFFAOYSA-N 0 3 234.299 0.845 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H]1CCCCNC1=O ZINC000037622052 344553447 /nfs/dbraw/zinc/55/34/47/344553447.db2.gz WKJFFKDNZSHBAR-CABZTGNLSA-N 0 3 241.335 0.289 20 0 BCADHN CC(C)[C@@H](O)CNC(=O)N[C@H](C)CN(C)C ZINC000358490819 344556052 /nfs/dbraw/zinc/55/60/52/344556052.db2.gz DLCQFGNRAKMLLL-ZJUUUORDSA-N 0 3 231.340 0.253 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@@](C)(O)CC1 ZINC000230375054 344560019 /nfs/dbraw/zinc/56/00/19/344560019.db2.gz WQIYHCCBTIPEGE-PSASIEDQSA-N 0 3 200.282 0.097 20 0 BCADHN C[C@@H](N)C(=O)N(C)CC(=O)Nc1ccccc1 ZINC000037810999 344590540 /nfs/dbraw/zinc/59/05/40/344590540.db2.gz DFZNALBFJPXIBM-SECBINFHSA-N 0 3 235.287 0.431 20 0 BCADHN C[C@H](N)C(=O)N(C)CC(=O)Nc1ccccc1 ZINC000037810998 344590744 /nfs/dbraw/zinc/59/07/44/344590744.db2.gz DFZNALBFJPXIBM-VIFPVBQESA-N 0 3 235.287 0.431 20 0 BCADHN O=C1CCCN1CCN(CCCCO)C1CC1 ZINC000152516147 344592421 /nfs/dbraw/zinc/59/24/21/344592421.db2.gz OPFRVBFVVIGBSW-UHFFFAOYSA-N 0 3 240.347 0.846 20 0 BCADHN CN(Cc1nccn1C)C(=O)[C@@H]1CCCCN1 ZINC000037822965 344592857 /nfs/dbraw/zinc/59/28/57/344592857.db2.gz BNBSGFNWDWWOLR-JTQLQIEISA-N 0 3 236.319 0.521 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)C[C@@H](C)C(=O)OC ZINC000037823551 344593380 /nfs/dbraw/zinc/59/33/80/344593380.db2.gz UUDHENSEXGWJEG-SKDRFNHKSA-N 0 3 244.335 0.771 20 0 BCADHN COCCCCN1CCC[C@]12CCNC2=O ZINC000580324794 347055522 /nfs/dbraw/zinc/05/55/22/347055522.db2.gz FTMOBQFNALHVQN-GFCCVEGCSA-N 0 3 226.320 0.768 20 0 BCADHN FC(F)[C@H]1CNCCN1C[C@@H]1CCCOC1 ZINC000577751568 344596398 /nfs/dbraw/zinc/59/63/98/344596398.db2.gz KNWPYQCYSTXZPX-VHSXEESVSA-N 0 3 234.290 0.952 20 0 BCADHN CN(Cc1cc[nH]n1)C(=O)CNC1CC1 ZINC000400401836 344601666 /nfs/dbraw/zinc/60/16/66/344601666.db2.gz QPYGKHOJNSVWSR-UHFFFAOYSA-N 0 3 208.265 0.120 20 0 BCADHN C[C@H](N)C(=O)NCc1ccc(F)c(F)c1 ZINC000049578074 344654348 /nfs/dbraw/zinc/65/43/48/344654348.db2.gz OQKUCQVFSNLCSJ-LURJTMIESA-N 0 3 214.215 0.928 20 0 BCADHN O=C1C[C@H]2CC[C@@H](CN1)N2CCc1cn[nH]c1 ZINC000626024648 344676073 /nfs/dbraw/zinc/67/60/73/344676073.db2.gz QZICFSGMRKSIEX-MNOVXSKESA-N 0 3 234.303 0.305 20 0 BCADHN CCCNC(=O)CN[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000625973548 344640360 /nfs/dbraw/zinc/64/03/60/344640360.db2.gz CMYKHDMSACPCMX-GMOBBJLQSA-N 0 3 228.336 0.914 20 0 BCADHN CC(C)CCOCCN(CCO)CCO ZINC000050103419 344719897 /nfs/dbraw/zinc/71/98/97/344719897.db2.gz NZPADCJAHWAWNB-UHFFFAOYSA-N 0 3 219.325 0.336 20 0 BCADHN NC(=O)C[C@H]1CN(CC2CC=CC2)CCO1 ZINC000626075934 344719936 /nfs/dbraw/zinc/71/99/36/344719936.db2.gz ZTVIGQHVJJBZHD-NSHDSACASA-N 0 3 224.304 0.529 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@@H]1CO ZINC000050114212 344721782 /nfs/dbraw/zinc/72/17/82/344721782.db2.gz BIADJUZBATUMMH-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC(CC)(CO)CC1 ZINC000152936193 344724953 /nfs/dbraw/zinc/72/49/53/344724953.db2.gz GRUMIBBJSNJFNE-SNVBAGLBSA-N 0 3 228.336 0.735 20 0 BCADHN CC1(NC(=O)C[C@H]2CSCCN2)CC1 ZINC000158714366 344731787 /nfs/dbraw/zinc/73/17/87/344731787.db2.gz JLLYOBPWPPDGJJ-QMMMGPOBSA-N 0 3 214.334 0.750 20 0 BCADHN Cc1cccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000574289805 344733912 /nfs/dbraw/zinc/73/39/12/344733912.db2.gz AJXPSLWNIRKKER-QWRGUYRKSA-N 0 3 246.314 0.138 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)C[C@H]1C=CCC1 ZINC000153030117 344735885 /nfs/dbraw/zinc/73/58/85/344735885.db2.gz KQTQDBNLJRWQDW-AAEUAGOBSA-N 0 3 240.347 0.772 20 0 BCADHN CSCC[C@H](N)C(=O)N(C)Cc1cn[nH]c1 ZINC000069763626 344746054 /nfs/dbraw/zinc/74/60/54/344746054.db2.gz IRRKXLTWCNRZJI-VIFPVBQESA-N 0 3 242.348 0.449 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC[C@@H]1CSC ZINC000399989882 344747426 /nfs/dbraw/zinc/74/74/26/344747426.db2.gz FSQIDUZNNFXMAD-BDAKNGLRSA-N 0 3 232.349 0.314 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000618264838 344684876 /nfs/dbraw/zinc/68/48/76/344684876.db2.gz CJBUQFHGFPZZPS-QWRGUYRKSA-N 0 3 242.363 0.804 20 0 BCADHN Cc1cncc(CCN(C)[C@H]2C[C@@H](C(N)=O)C2)n1 ZINC000626039618 344690123 /nfs/dbraw/zinc/69/01/23/344690123.db2.gz JCOFPNKYJWEGHX-KLPPZKSPSA-N 0 3 248.330 0.523 20 0 BCADHN CCO[C@H]1C[C@H](O)C12CCN(CCOC)CC2 ZINC000152780961 344692280 /nfs/dbraw/zinc/69/22/80/344692280.db2.gz WYEPTLOTODJHEK-RYUDHWBXSA-N 0 3 243.347 0.885 20 0 BCADHN C[C@H](C(=O)NC1CC1)N(C)C[C@H]1C[C@@H](O)C1 ZINC000626043503 344694152 /nfs/dbraw/zinc/69/41/52/344694152.db2.gz RVBCPTBIUHUGPZ-KKZNHRDASA-N 0 3 226.320 0.356 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)N(C)C[C@H]1C[C@@H](O)C1 ZINC000626043214 344694320 /nfs/dbraw/zinc/69/43/20/344694320.db2.gz JENUCNTVGOEIAZ-KKOKHZNYSA-N 0 3 242.363 0.992 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N(C)C[C@H]1C[C@@H](O)C1 ZINC000626043536 344694427 /nfs/dbraw/zinc/69/44/27/344694427.db2.gz SWDSKDAOPFEGLG-UTUOFQBUSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N(C)C[C@H]1C[C@@H](O)C1 ZINC000626044668 344696537 /nfs/dbraw/zinc/69/65/37/344696537.db2.gz OUAFYVMFFSYUCC-UTUOFQBUSA-N 0 3 242.363 0.944 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000152878863 344703658 /nfs/dbraw/zinc/70/36/58/344703658.db2.gz WNTDFIDYYGFUPT-IJLUTSLNSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)[C@H](C)O ZINC000578127094 344708513 /nfs/dbraw/zinc/70/85/13/344708513.db2.gz AAKRNTYGKWIRCA-UTLUCORTSA-N 0 3 228.336 0.745 20 0 BCADHN FCCCN1CCN(Cc2cnc[nH]2)CC1 ZINC000626070353 344713359 /nfs/dbraw/zinc/71/33/59/344713359.db2.gz JOCJLSMHZPHWBO-UHFFFAOYSA-N 0 3 226.299 0.887 20 0 BCADHN COCC1(NC(=O)[C@H](N)CC(F)F)CC1 ZINC000309459284 347067541 /nfs/dbraw/zinc/06/75/41/347067541.db2.gz OJVGTAUQFSYUQG-ZCFIWIBFSA-N 0 3 222.235 0.264 20 0 BCADHN FCCCN1CCN(CCc2cn[nH]n2)CC1 ZINC000626069669 344714658 /nfs/dbraw/zinc/71/46/58/344714658.db2.gz GDNPTVDEFKLVSY-UHFFFAOYSA-N 0 3 241.314 0.324 20 0 BCADHN FCCCN1CCN(CCc2c[nH]nn2)CC1 ZINC000626069669 344714659 /nfs/dbraw/zinc/71/46/59/344714659.db2.gz GDNPTVDEFKLVSY-UHFFFAOYSA-N 0 3 241.314 0.324 20 0 BCADHN CC(=O)NCCCN1CCN(CCCF)CC1 ZINC000626071211 344715294 /nfs/dbraw/zinc/71/52/94/344715294.db2.gz UAKWCLIJGSNRPR-UHFFFAOYSA-N 0 3 245.342 0.490 20 0 BCADHN CO[C@@H]1C[C@@H](NC2CN(C(C)=O)C2)C12CCC2 ZINC000574218552 344715732 /nfs/dbraw/zinc/71/57/32/344715732.db2.gz CDDDEIPSQSKBAF-VXGBXAGGSA-N 0 3 238.331 0.764 20 0 BCADHN COC(=O)[C@H]1CCCN1C[C@@H]1CCOC1 ZINC000050048473 344717428 /nfs/dbraw/zinc/71/74/28/344717428.db2.gz OSCNYTNBBVBPRH-VHSXEESVSA-N 0 3 213.277 0.660 20 0 BCADHN CSCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000075578231 344779750 /nfs/dbraw/zinc/77/97/50/344779750.db2.gz QVZIXVKLWJGOLQ-QMMMGPOBSA-N 0 3 216.350 0.948 20 0 BCADHN CCNC(=O)NC(=O)CN1C[C@H](C)C[C@@H]1CC ZINC000075021273 344761110 /nfs/dbraw/zinc/76/11/10/344761110.db2.gz OLQBWCLVMBZEFX-ZJUUUORDSA-N 0 3 241.335 0.953 20 0 BCADHN CC[C@@H](O)CN1CCC(NC(=O)C(C)C)CC1 ZINC000075626876 344781054 /nfs/dbraw/zinc/78/10/54/344781054.db2.gz MBXXXXHLVHBDBA-GFCCVEGCSA-N 0 3 242.363 0.994 20 0 BCADHN CN([C@@H]1CCN(C)C1=O)[C@@H]1CCC[C@H]1O ZINC000511548690 530033403 /nfs/dbraw/zinc/03/34/03/530033403.db2.gz ZOVPQFCMSOLQRR-OPRDCNLKSA-N 0 3 212.293 0.062 20 0 BCADHN O=C1CCCN1CCNCc1ccncc1 ZINC000309480017 347073552 /nfs/dbraw/zinc/07/35/52/347073552.db2.gz DHCWZJCFACVHTH-UHFFFAOYSA-N 0 3 219.288 0.794 20 0 BCADHN C[C@@H]1CCCN1C(=O)CCN1CCC(O)CC1 ZINC000075621100 344781403 /nfs/dbraw/zinc/78/14/03/344781403.db2.gz BHSBWMQZGQPUAN-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN CN1CCC(CC(=O)NCCCCO)CC1 ZINC000487512390 530048646 /nfs/dbraw/zinc/04/86/46/530048646.db2.gz ZHQDCDVTVLBCPF-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC000074689441 344753287 /nfs/dbraw/zinc/75/32/87/344753287.db2.gz FOFNTBCXRNPUGU-ONGXEEELSA-N 0 3 244.335 0.640 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)CN(C)C(C)C ZINC000074690219 344753314 /nfs/dbraw/zinc/75/33/14/344753314.db2.gz GIVNAMQKKBZRSS-VIFPVBQESA-N 0 3 230.308 0.394 20 0 BCADHN CC[C@H](CO)N1CCN(CCCOC)CC1 ZINC000075960946 344789286 /nfs/dbraw/zinc/78/92/86/344789286.db2.gz HWHQSHVQSFTOIO-GFCCVEGCSA-N 0 3 230.352 0.411 20 0 BCADHN CCS(=O)(=O)NCCN1C[C@H](C)[C@@H](C)C1 ZINC000076111300 344795658 /nfs/dbraw/zinc/79/56/58/344795658.db2.gz UAPSVZQCWNHBBE-UWVGGRQHSA-N 0 3 234.365 0.514 20 0 BCADHN C[C@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC000076111514 344795676 /nfs/dbraw/zinc/79/56/76/344795676.db2.gz RYTKYWWCCJCBIT-DTORHVGOSA-N 0 3 239.319 0.562 20 0 BCADHN COC(=O)CCNC(=O)CN1C[C@H](C)[C@H](C)C1 ZINC000076112029 344796189 /nfs/dbraw/zinc/79/61/89/344796189.db2.gz RFNKATHXKMKWQL-AOOOYVTPSA-N 0 3 242.319 0.254 20 0 BCADHN CN(C)C(=O)CN[C@@](C)(CO)C1CCCCC1 ZINC000077656105 344825242 /nfs/dbraw/zinc/82/52/42/344825242.db2.gz AASZDWYAYDEQOD-ZDUSSCGKSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)[C@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000077664840 344825559 /nfs/dbraw/zinc/82/55/59/344825559.db2.gz MORKKEIHFOYJDV-YUMQZZPRSA-N 0 3 221.322 0.580 20 0 BCADHN C[C@H](CNCCCn1cccn1)S(C)(=O)=O ZINC000562988790 323078384 /nfs/dbraw/zinc/07/83/84/323078384.db2.gz SPWFNULPXKCSAE-SNVBAGLBSA-N 0 3 245.348 0.296 20 0 BCADHN CCC[C@H](C)N1CCN2C(=O)NC[C@H]2C1 ZINC000249088391 537867731 /nfs/dbraw/zinc/86/77/31/537867731.db2.gz CLGXQFFSIMISMP-UWVGGRQHSA-N 0 3 211.309 0.884 20 0 BCADHN CCOC[C@@H](O)CN(C)[C@H]1CCCOC1 ZINC000352187170 344854490 /nfs/dbraw/zinc/85/44/90/344854490.db2.gz PWXFGWGJSMATOU-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1cscn1 ZINC000583381567 344857492 /nfs/dbraw/zinc/85/74/92/344857492.db2.gz QBXXJKYVESVIJA-SSDOTTSWSA-N 0 3 249.361 0.419 20 0 BCADHN O=S(=O)(CCCN1CCCC1)NCCF ZINC000632301010 344880966 /nfs/dbraw/zinc/88/09/66/344880966.db2.gz KHCNZLAWVHRJGY-UHFFFAOYSA-N 0 3 238.328 0.361 20 0 BCADHN OCCCN(CCO)Cc1cccc2n[nH]cc21 ZINC000628170946 344887417 /nfs/dbraw/zinc/88/74/17/344887417.db2.gz PFCVRMOXQMFDCR-UHFFFAOYSA-N 0 3 249.314 0.740 20 0 BCADHN CC[C@@H](C(=O)NCC[C@H](C)O)N(C)C ZINC000153514573 344895492 /nfs/dbraw/zinc/89/54/92/344895492.db2.gz JEZSCTSHBQSPOG-IUCAKERBSA-N 0 3 202.298 0.214 20 0 BCADHN CC(C)[C@H](C)S(=O)(=O)C(C)C(N)=O ZINC000078841832 344912376 /nfs/dbraw/zinc/91/23/76/344912376.db2.gz DAOIVWTUTVCHJG-NKWVEPMBSA-N 0 3 207.295 0.320 20 0 BCADHN CCO[C@@H](C)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000153577140 344907941 /nfs/dbraw/zinc/90/79/41/344907941.db2.gz IZOSGVMNTUWZCW-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@@H](C(=O)N1CC(C)(C(=O)OC)C1)N(C)C ZINC000425159224 192080616 /nfs/dbraw/zinc/08/06/16/192080616.db2.gz GGKFPCXPDIOXIQ-VIFPVBQESA-N 0 3 242.319 0.348 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N1CCCC1 ZINC000078962199 344925427 /nfs/dbraw/zinc/92/54/27/344925427.db2.gz XFPGNXZAXHEULI-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN CCCN(C)CC(=O)N1CC(C)(COC)C1 ZINC000447884859 537873623 /nfs/dbraw/zinc/87/36/23/537873623.db2.gz ARVXLZOZSATZIM-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC(C)(C)C1 ZINC000673186854 488278269 /nfs/dbraw/zinc/27/82/69/488278269.db2.gz YQWKJULVTXMGBK-VIFPVBQESA-N 0 3 213.325 0.988 20 0 BCADHN C[C@@H](CNS(N)(=O)=O)N1CCCC[C@H]1C ZINC000079030891 344933753 /nfs/dbraw/zinc/93/37/53/344933753.db2.gz DGLYAYDNHMZTHN-BDAKNGLRSA-N 0 3 235.353 0.042 20 0 BCADHN COC[C@H](O)CN1CCC(n2cccn2)CC1 ZINC000369218363 537874782 /nfs/dbraw/zinc/87/47/82/537874782.db2.gz HVXKXOJLTTXQSR-GFCCVEGCSA-N 0 3 239.319 0.527 20 0 BCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000153601934 344918921 /nfs/dbraw/zinc/91/89/21/344918921.db2.gz ATPIGGKLCQZDSO-ONGXEEELSA-N 0 3 241.335 0.064 20 0 BCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000153602033 344918943 /nfs/dbraw/zinc/91/89/43/344918943.db2.gz ATPIGGKLCQZDSO-KOLCDFICSA-N 0 3 241.335 0.064 20 0 BCADHN CC[C@H](C)NC(=O)c1ccn(CCN(C)C)n1 ZINC000574581588 344921699 /nfs/dbraw/zinc/92/16/99/344921699.db2.gz OZDIHJVGXDYOPW-JTQLQIEISA-N 0 3 238.335 0.973 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)C[C@@H](O)C1CC1 ZINC000673186514 488278856 /nfs/dbraw/zinc/27/88/56/488278856.db2.gz JCTMEWROSKEBFQ-GXSJLCMTSA-N 0 3 243.351 0.349 20 0 BCADHN C[C@H]1C[C@H](NC(=O)N[C@@H]2CC[C@H]2O)CCN1C ZINC000425683746 192082701 /nfs/dbraw/zinc/08/27/01/192082701.db2.gz VDILXSYXNHHURB-LNFKQOIKSA-N 0 3 241.335 0.292 20 0 BCADHN Cn1nncc1CN[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000381861491 344943562 /nfs/dbraw/zinc/94/35/62/344943562.db2.gz WGYBHVCBEWHLBQ-GMTAPVOTSA-N 0 3 222.292 0.472 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CCc2n[nH]cc2C1 ZINC000353506060 344980704 /nfs/dbraw/zinc/98/07/04/344980704.db2.gz JVGJUACUGNEKMS-SNVBAGLBSA-N 0 3 236.319 0.812 20 0 BCADHN Cn1cc(C(=O)Nc2ccc3c(c2)CNC3)nn1 ZINC000386497747 344994837 /nfs/dbraw/zinc/99/48/37/344994837.db2.gz TZZXVOBMBFVSSX-UHFFFAOYSA-N 0 3 243.270 0.671 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CCOC2)C1 ZINC000583449805 344996458 /nfs/dbraw/zinc/99/64/58/344996458.db2.gz XCXQUGUZTFOGBH-RYUDHWBXSA-N 0 3 240.347 0.823 20 0 BCADHN Cc1ccnc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)n1 ZINC000408287567 345048151 /nfs/dbraw/zinc/04/81/51/345048151.db2.gz RWVGCAALLFUYAA-MNOVXSKESA-N 0 3 248.330 0.998 20 0 BCADHN Cc1ccnc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)n1 ZINC000408287566 345048255 /nfs/dbraw/zinc/04/82/55/345048255.db2.gz RWVGCAALLFUYAA-GHMZBOCLSA-N 0 3 248.330 0.998 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248027887 345019563 /nfs/dbraw/zinc/01/95/63/345019563.db2.gz PQNQKQMKNBUSMF-LOWVWBTDSA-N 0 3 240.347 0.877 20 0 BCADHN C[C@H](N)C(=O)NCCC(=O)NC1CCCCC1 ZINC000154823362 345052586 /nfs/dbraw/zinc/05/25/86/345052586.db2.gz KJOCZRHGSSPAHL-VIFPVBQESA-N 0 3 241.335 0.289 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@@](C)(O)C1CC1 ZINC000359093924 345028522 /nfs/dbraw/zinc/02/85/22/345028522.db2.gz KBKBNWHBRQCQHF-YPMHNXCESA-N 0 3 240.347 0.748 20 0 BCADHN CCNC(=O)CN1CC[C@]2(CCOC2)C1 ZINC000154381484 345032161 /nfs/dbraw/zinc/03/21/61/345032161.db2.gz AWCUALKYCNOPPW-NSHDSACASA-N 0 3 212.293 0.235 20 0 BCADHN CC(C)(N)C(=O)NC[C@H](O)C1CCCCC1 ZINC000154409212 345033832 /nfs/dbraw/zinc/03/38/32/345033832.db2.gz PCMLOQFTAANJTJ-JTQLQIEISA-N 0 3 228.336 0.781 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@@H](C)Cn1cncn1 ZINC000154417926 345034963 /nfs/dbraw/zinc/03/49/63/345034963.db2.gz FIVHWHRPDOEMCT-VHSXEESVSA-N 0 3 239.323 0.300 20 0 BCADHN CN(C)C[C@H](CO)Nc1cc(C2CC2)ncn1 ZINC000641599847 362540531 /nfs/dbraw/zinc/54/05/31/362540531.db2.gz NRIBNLFJBBYRJE-SNVBAGLBSA-N 0 3 236.319 0.688 20 0 BCADHN CN(C)CCn1nnnc1SCC(C)(C)O ZINC000069251664 362569087 /nfs/dbraw/zinc/56/90/87/362569087.db2.gz SAZYHSVFFLORRL-UHFFFAOYSA-N 0 3 245.352 0.098 20 0 BCADHN CC1(C)CC[C@H](CN(CCO)CCCO)O1 ZINC000359849515 345099564 /nfs/dbraw/zinc/09/95/64/345099564.db2.gz DALAMJPAWVFHEP-LLVKDONJSA-N 0 3 231.336 0.621 20 0 BCADHN COCC[C@@H](C)N(C)CC(=O)N(C)C ZINC000434284235 537888786 /nfs/dbraw/zinc/88/87/86/537888786.db2.gz AHIRYZAEZIXDBA-SECBINFHSA-N 0 3 202.298 0.431 20 0 BCADHN CC(C(=O)NC[C@H]1CC[C@@H](C)C1)S(C)(=O)=O ZINC000408325039 345161554 /nfs/dbraw/zinc/16/15/54/345161554.db2.gz VFQVRZXOZZBLKS-UTLUCORTSA-N 0 3 247.360 0.972 20 0 BCADHN CN(C)CCN(C)C(=O)c1cn2ccccc2n1 ZINC000080387481 345162174 /nfs/dbraw/zinc/16/21/74/345162174.db2.gz NSWQGUKHLDPVES-UHFFFAOYSA-N 0 3 246.314 0.968 20 0 BCADHN CN(C)CCN(C)C(=O)C1CCOCC1 ZINC000080388589 345162577 /nfs/dbraw/zinc/16/25/77/345162577.db2.gz MAYMYSXKPFBQRR-UHFFFAOYSA-N 0 3 214.309 0.433 20 0 BCADHN OCCCN1CCC[C@H](NCc2ccon2)C1 ZINC000634982907 345163985 /nfs/dbraw/zinc/16/39/85/345163985.db2.gz ZCCINTGGNUBUDB-LBPRGKRZSA-N 0 3 239.319 0.611 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@](C)(C(N)=O)C1)N(C)C ZINC000408327699 345174098 /nfs/dbraw/zinc/17/40/98/345174098.db2.gz UNLIQJRWCLXWNI-BXKDBHETSA-N 0 3 241.335 0.051 20 0 BCADHN CNC(=O)CC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000408321635 345152301 /nfs/dbraw/zinc/15/23/01/345152301.db2.gz ROERZRBOKHXMOQ-NXEZZACHSA-N 0 3 241.335 0.064 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635068826 345237285 /nfs/dbraw/zinc/23/72/85/345237285.db2.gz LMNFTWPGNNPNKN-RKDXNWHRSA-N 0 3 222.292 0.191 20 0 BCADHN CN1C[C@@H]2CCCN(c3nccn(C)c3=O)[C@@H]2C1 ZINC000425278065 192086882 /nfs/dbraw/zinc/08/68/82/192086882.db2.gz DMNJDHUIIMOCNS-WDEREUQCSA-N 0 3 248.330 0.311 20 0 BCADHN CC1(C)CN([C@@H]2COC[C@H]2O)CCS1 ZINC000306586511 345252399 /nfs/dbraw/zinc/25/23/99/345252399.db2.gz LDULQVKZAGMRSC-RKDXNWHRSA-N 0 3 217.334 0.574 20 0 BCADHN CCC(O)(CC)CN(C)C[C@](C)(O)C(C)=O ZINC000626112404 345280745 /nfs/dbraw/zinc/28/07/45/345280745.db2.gz YDDYKEYYIGDLAR-NSHDSACASA-N 0 3 231.336 0.809 20 0 BCADHN CC[C@H](CO)NC(=O)CN(C)CC(C)(C)C ZINC000635248728 345285515 /nfs/dbraw/zinc/28/55/15/345285515.db2.gz MUGGLNCJFIDJII-SNVBAGLBSA-N 0 3 230.352 0.851 20 0 BCADHN CCc1c[nH]c(CC(=O)NC[C@H](C)N(C)C)n1 ZINC000635254420 345287355 /nfs/dbraw/zinc/28/73/55/345287355.db2.gz DRZLNDJNTQLQJI-VIFPVBQESA-N 0 3 238.335 0.581 20 0 BCADHN CC1CCN(CCNC(=O)[C@H]2C[C@@H](O)C2)CC1 ZINC000635300994 345299294 /nfs/dbraw/zinc/29/92/94/345299294.db2.gz WHWZCLHNHHPEGQ-TXEJJXNPSA-N 0 3 240.347 0.605 20 0 BCADHN COCCNCC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000158357785 345323855 /nfs/dbraw/zinc/32/38/55/345323855.db2.gz JGRYUPUGZBCERN-ZJUUUORDSA-N 0 3 246.376 0.575 20 0 BCADHN C[C@@H]1C[C@H](C)N(C(=O)C[C@@H]2CNCCO2)C1 ZINC000158463325 345336315 /nfs/dbraw/zinc/33/63/15/345336315.db2.gz TXXVPHDCISARRQ-OUAUKWLOSA-N 0 3 226.320 0.622 20 0 BCADHN CCn1ncnc1CN[C@@H](C)[C@H]1CCOC1 ZINC000158519933 345342959 /nfs/dbraw/zinc/34/29/59/345342959.db2.gz ZPFKLWYCFBPHIO-UWVGGRQHSA-N 0 3 224.308 0.813 20 0 BCADHN CCc1nnc(CN(C)CCN2CCCC2)[nH]1 ZINC000158541621 345347076 /nfs/dbraw/zinc/34/70/76/345347076.db2.gz LTMXAJQBMUMJSU-UHFFFAOYSA-N 0 3 237.351 0.895 20 0 BCADHN CC(C)OCC(=O)N(C)C[C@@H]1CCCN1C ZINC000158568962 345350012 /nfs/dbraw/zinc/35/00/12/345350012.db2.gz MKUGYHMOJOHXAP-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN CC1(C)C[C@@H]1NC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000635406979 345351128 /nfs/dbraw/zinc/35/11/28/345351128.db2.gz POSLPIUCXJUEEY-DCAQKATOSA-N 0 3 238.331 0.764 20 0 BCADHN CCC(C)(C)[C@@H](O)C(=O)NCCN(C)C1CC1 ZINC000635420180 345359716 /nfs/dbraw/zinc/35/97/16/345359716.db2.gz BLDGGPAEZUESIO-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H](C(=O)N1CCC[C@H]1CN(C)C)N(C)C ZINC000635479670 345389147 /nfs/dbraw/zinc/38/91/47/345389147.db2.gz JRKCCGBXXKDLLL-MNOVXSKESA-N 0 3 227.352 0.489 20 0 BCADHN CNCC(=O)N[C@@H](CC(C)C)C(=O)OC(C)C ZINC000158731889 345371464 /nfs/dbraw/zinc/37/14/64/345371464.db2.gz BGPVEQGBHCXNMO-JTQLQIEISA-N 0 3 244.335 0.688 20 0 BCADHN CC1(C)CN(C[C@@H]2CCOC2)C[C@@H](CO)O1 ZINC000158741883 345371957 /nfs/dbraw/zinc/37/19/57/345371957.db2.gz NQESWKJCTBLDJA-QWRGUYRKSA-N 0 3 229.320 0.495 20 0 BCADHN Cn1cncc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000562400008 345378166 /nfs/dbraw/zinc/37/81/66/345378166.db2.gz GLRACKNLLXHIPE-LLVKDONJSA-N 0 3 248.330 0.730 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cc(C(N)=O)cs1 ZINC000158896724 345386059 /nfs/dbraw/zinc/38/60/59/345386059.db2.gz WLGYJBDPRYELRY-LURJTMIESA-N 0 3 241.316 0.201 20 0 BCADHN COCCNCC(=O)N1CCSC(C)(C)C1 ZINC000158376944 345325413 /nfs/dbraw/zinc/32/54/13/345325413.db2.gz IJZWRXDPQBEDIN-UHFFFAOYSA-N 0 3 246.376 0.576 20 0 BCADHN CC[C@@H]1CN(C(=O)CNC)CCS1 ZINC000158364545 345326819 /nfs/dbraw/zinc/32/68/19/345326819.db2.gz VSBANNCVXVNGCT-MRVPVSSYSA-N 0 3 202.323 0.560 20 0 BCADHN C[C@H](NCC1(CO)CC1)c1ccnn1C ZINC000235499654 537896195 /nfs/dbraw/zinc/89/61/95/537896195.db2.gz PJBCUTKUQYEZQX-VIFPVBQESA-N 0 3 209.293 0.843 20 0 BCADHN COCCN(C)CCNc1nnc(C)c(C)n1 ZINC000159101508 345409314 /nfs/dbraw/zinc/40/93/14/345409314.db2.gz MVMWYZIZWAHBEP-UHFFFAOYSA-N 0 3 239.323 0.479 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(Cc2ccnn2C)C1 ZINC000134673019 345418189 /nfs/dbraw/zinc/41/81/89/345418189.db2.gz MDGKTGTZZSWSNB-NXEZZACHSA-N 0 3 209.293 0.623 20 0 BCADHN O=C(N[C@@H]1CCOC1)N[C@H]1CCN(C2CC2)C1 ZINC000159337502 345423329 /nfs/dbraw/zinc/42/33/29/345423329.db2.gz RDJWGQUTFPBMEH-VHSXEESVSA-N 0 3 239.319 0.311 20 0 BCADHN CC1(C)[C@@H](O)CCN1CC(=O)N1CCCC1 ZINC000335624569 345426008 /nfs/dbraw/zinc/42/60/08/345426008.db2.gz WKECSNBBSFBCDQ-JTQLQIEISA-N 0 3 226.320 0.454 20 0 BCADHN Cc1ccccc1CNC(=O)C(=O)N[C@@H](C)CN ZINC000418890235 192088596 /nfs/dbraw/zinc/08/85/96/192088596.db2.gz CBDYTVPOWJILLF-JTQLQIEISA-N 0 3 249.314 0.075 20 0 BCADHN COC(=O)CC1(NC[C@H]2CCCO2)CC1 ZINC000260771583 345440862 /nfs/dbraw/zinc/44/08/62/345440862.db2.gz NYKDIQVXMJAPMR-SECBINFHSA-N 0 3 213.277 0.851 20 0 BCADHN C[C@H]1CN(C(=O)[C@@]2(C)CCCCN2)CCO1 ZINC000159559782 345441530 /nfs/dbraw/zinc/44/15/30/345441530.db2.gz TWMFTARBIZNSOQ-CMPLNLGQSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@]1(C(=O)NC[C@H]2CCCO2)CCCCN1 ZINC000159547443 345442045 /nfs/dbraw/zinc/44/20/45/345442045.db2.gz OOKVHNTWNNKVDV-ZYHUDNBSSA-N 0 3 226.320 0.814 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)[C@@]1(C)CCCCN1 ZINC000159568871 345443322 /nfs/dbraw/zinc/44/33/22/345443322.db2.gz HQEATMIUQPABOM-LDYMZIIASA-N 0 3 228.292 0.196 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)[C@H]1CCCCN1 ZINC000159599205 345444962 /nfs/dbraw/zinc/44/49/62/345444962.db2.gz HDZCGOVDRKBODK-WDEREUQCSA-N 0 3 228.336 0.652 20 0 BCADHN CCN(CCNC(=O)c1[nH]cnc1C)C1CC1 ZINC000635498348 345401563 /nfs/dbraw/zinc/40/15/63/345401563.db2.gz ZPFLNFMOUONFIH-UHFFFAOYSA-N 0 3 236.319 0.932 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000562829701 345510691 /nfs/dbraw/zinc/51/06/91/345510691.db2.gz UXDKCVLAUCEYKH-RKDXNWHRSA-N 0 3 243.351 0.343 20 0 BCADHN CCN(CC)CC(=O)NC[C@H](O)C(F)(F)F ZINC000081854389 345495452 /nfs/dbraw/zinc/49/54/52/345495452.db2.gz SUAXZAGTKCUUIA-ZETCQYMHSA-N 0 3 242.241 0.368 20 0 BCADHN CN1CCC(NC(=O)Cn2cccn2)CC1 ZINC000082267965 345499171 /nfs/dbraw/zinc/49/91/71/345499171.db2.gz ICFWKVVBOAXTJK-UHFFFAOYSA-N 0 3 222.292 0.094 20 0 BCADHN NCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000082275056 345500683 /nfs/dbraw/zinc/50/06/83/345500683.db2.gz JBEOZCFUGUTPBO-UHFFFAOYSA-N 0 3 208.265 0.074 20 0 BCADHN NCC(=O)N[C@@H]1CCc2c1cccc2F ZINC000082275031 345500703 /nfs/dbraw/zinc/50/07/03/345500703.db2.gz MDKYQUQZCMCZMB-SNVBAGLBSA-N 0 3 208.236 0.888 20 0 BCADHN CCCN1CC[C@@H](Nc2nccnc2C(N)=O)C1 ZINC000641666278 362588924 /nfs/dbraw/zinc/58/89/24/362588924.db2.gz WVNRVUXMIBNIPV-SECBINFHSA-N 0 3 249.318 0.472 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCO[C@@H](CC)C1 ZINC000040487151 323089951 /nfs/dbraw/zinc/08/99/51/323089951.db2.gz OYWFTSUSJONIDI-VWYCJHECSA-N 0 3 228.336 0.997 20 0 BCADHN CCO[N-]C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000081127929 345463249 /nfs/dbraw/zinc/46/32/49/345463249.db2.gz OHAXAEGLDIAWGA-UWVGGRQHSA-N 0 3 212.293 0.929 20 0 BCADHN CCO[N-]C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081127929 345463253 /nfs/dbraw/zinc/46/32/53/345463253.db2.gz OHAXAEGLDIAWGA-UWVGGRQHSA-N 0 3 212.293 0.929 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1cnc(N(C)C)nc1 ZINC000449165317 201827366 /nfs/dbraw/zinc/82/73/66/201827366.db2.gz VGGGAASMMVMYQO-MRVPVSSYSA-N 0 3 249.318 0.622 20 0 BCADHN CC(=O)N[C@@H]1CCCN(CCC(C)(C)O)C1 ZINC000081666198 345483825 /nfs/dbraw/zinc/48/38/25/345483825.db2.gz PXULUXDGKIPJBN-LLVKDONJSA-N 0 3 228.336 0.748 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]CCCCO)n1 ZINC000235774270 192089130 /nfs/dbraw/zinc/08/91/30/192089130.db2.gz BWNVVTLLJPBOLF-UHFFFAOYSA-N 0 3 210.277 0.958 20 0 BCADHN CCN1CCCN(C(=O)[C@H]2C[C@@H](O)C2)CC1 ZINC000635541088 345531138 /nfs/dbraw/zinc/53/11/38/345531138.db2.gz LCMVSTZGMZRLFM-PHIMTYICSA-N 0 3 226.320 0.312 20 0 BCADHN CN[C@@H](C)C(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000222000720 349931585 /nfs/dbraw/zinc/93/15/85/349931585.db2.gz UPRYNAWHBWBVBK-CIUDSAMLSA-N 0 3 216.350 0.947 20 0 BCADHN CCN1CCCN(C(=O)c2[nH]cnc2C)CC1 ZINC000635542399 345539835 /nfs/dbraw/zinc/53/98/35/345539835.db2.gz WWYZDUUVTNISFG-UHFFFAOYSA-N 0 3 236.319 0.886 20 0 BCADHN CCOC[C@@H](O)CN1CCN(C)C(C)(C)C1 ZINC000068951317 349931833 /nfs/dbraw/zinc/93/18/33/349931833.db2.gz PFSDOECJWQDGAH-NSHDSACASA-N 0 3 230.352 0.410 20 0 BCADHN Cc1ccn(-c2ccc(NCCN(C)C)nn2)n1 ZINC000090998044 345578502 /nfs/dbraw/zinc/57/85/02/345578502.db2.gz HGLZCQSWBKGRCC-UHFFFAOYSA-N 0 3 246.318 0.944 20 0 BCADHN COCCOCCN1CCC[C@@H]([C@H](C)O)C1 ZINC000089930768 345566260 /nfs/dbraw/zinc/56/62/60/345566260.db2.gz VXIXDKGMEYBMBC-NWDGAFQWSA-N 0 3 231.336 0.742 20 0 BCADHN C[C@@H]1C[C@H](CO)CCN1C[C@@H]1COCCO1 ZINC000626121806 345518430 /nfs/dbraw/zinc/51/84/30/345518430.db2.gz VRCTXDWBJJUYAA-IJLUTSLNSA-N 0 3 229.320 0.495 20 0 BCADHN C[C@H](CN1CCOCC1)N1CCC[C@H](O)C1 ZINC000091507603 345595702 /nfs/dbraw/zinc/59/57/02/345595702.db2.gz FQGNLUUCJVOYEN-NEPJUHHUSA-N 0 3 228.336 0.164 20 0 BCADHN COCCN(C)[C@@H](C)CN1CCOCC1 ZINC000091541558 345597134 /nfs/dbraw/zinc/59/71/34/345597134.db2.gz WFEFAJDEBDRHAG-NSHDSACASA-N 0 3 216.325 0.285 20 0 BCADHN CC(C)(C)NC(=O)CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626137372 345609787 /nfs/dbraw/zinc/60/97/87/345609787.db2.gz DPPZVEFZFQDTPO-HOSYDEDBSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000092391624 345618625 /nfs/dbraw/zinc/61/86/25/345618625.db2.gz VTOQCVMEOMGMSH-SDDRHHMPSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C(=O)CN1CC[C@@H]2CC[C@@H](O)[C@@H]21)C1CC1 ZINC000626138037 345629905 /nfs/dbraw/zinc/62/99/05/345629905.db2.gz HADZIEBWUATHFG-UFGOTCBOSA-N 0 3 238.331 0.452 20 0 BCADHN CCN(C)CCNc1ccc2nnc(C)n2n1 ZINC000092623468 345631658 /nfs/dbraw/zinc/63/16/58/345631658.db2.gz DWHBFJJWGQTQJD-UHFFFAOYSA-N 0 3 234.307 0.796 20 0 BCADHN CCOC(=O)c1cn(CCN2CCCC2)nn1 ZINC000600979360 345635668 /nfs/dbraw/zinc/63/56/68/345635668.db2.gz YFJZASYQQZTRCY-UHFFFAOYSA-N 0 3 238.291 0.551 20 0 BCADHN CC[C@@H](N)c1cn([C@H](C)C(=O)OC)nn1 ZINC000600976311 345581551 /nfs/dbraw/zinc/58/15/51/345581551.db2.gz MTMXADUCOJOOGD-RNFRBKRXSA-N 0 3 212.253 0.422 20 0 BCADHN COc1ccnc(NC[C@@H]2CSCCN2)n1 ZINC000641686819 362607163 /nfs/dbraw/zinc/60/71/63/362607163.db2.gz BDPFNHFGLRXPNT-MRVPVSSYSA-N 0 3 240.332 0.602 20 0 BCADHN C[C@H]1CN(CC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000093177594 345658910 /nfs/dbraw/zinc/65/89/10/345658910.db2.gz CEFPGXTYGPNJIT-RYUDHWBXSA-N 0 3 239.363 0.348 20 0 BCADHN C[C@@H]1CN(CC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000093177596 345659074 /nfs/dbraw/zinc/65/90/74/345659074.db2.gz CEFPGXTYGPNJIT-VXGBXAGGSA-N 0 3 239.363 0.348 20 0 BCADHN Cc1cnc(NC[C@H]2CSCCN2)nc1 ZINC000641687342 362608426 /nfs/dbraw/zinc/60/84/26/362608426.db2.gz OLBZHIWIEPQGDX-VIFPVBQESA-N 0 3 224.333 0.902 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)Cc1ccn(C)c1 ZINC000093899029 345667153 /nfs/dbraw/zinc/66/71/53/345667153.db2.gz GOONWLQASGSXFJ-JTQLQIEISA-N 0 3 223.320 0.839 20 0 BCADHN CNC(=O)CCCNCc1ccncc1N ZINC000641712785 362624363 /nfs/dbraw/zinc/62/43/63/362624363.db2.gz KUXFKCNGJDITAS-UHFFFAOYSA-N 0 3 222.292 0.280 20 0 BCADHN C[C@@H]1CCC[C@@H](C(=O)N[C@H](CO)CN(C)C)C1 ZINC000673519790 488293013 /nfs/dbraw/zinc/29/30/13/488293013.db2.gz BJIRPJJBEOBOSY-UTUOFQBUSA-N 0 3 242.363 0.851 20 0 BCADHN Cc1nn(C)cc1CN(C)CC(C)(C)O ZINC000093414394 345669687 /nfs/dbraw/zinc/66/96/87/345669687.db2.gz JIRSLTAXFKJXLB-UHFFFAOYSA-N 0 3 211.309 0.931 20 0 BCADHN CCOCCN(C)C(=O)NC[C@H]1CCCN1C ZINC000093402190 345670003 /nfs/dbraw/zinc/67/00/03/345670003.db2.gz JSTPICHKNCTUQP-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN C[C@H]1CC[C@H](N(C)CCNS(C)(=O)=O)C1 ZINC000093422508 345671055 /nfs/dbraw/zinc/67/10/55/345671055.db2.gz UIJLSGFVMJPDEA-UWVGGRQHSA-N 0 3 234.365 0.656 20 0 BCADHN CN1CCN(Cc2c[nH]cn2)C(C)(C)C1 ZINC000093457308 345671990 /nfs/dbraw/zinc/67/19/90/345671990.db2.gz UNCASAWOPTVQJK-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN CN1CCN(Cc2cnc[nH]2)C(C)(C)C1 ZINC000093457308 345671992 /nfs/dbraw/zinc/67/19/92/345671992.db2.gz UNCASAWOPTVQJK-UHFFFAOYSA-N 0 3 208.309 0.936 20 0 BCADHN Cc1ccc(CN2C[C@@H](O)[C@@H](O)C2)s1 ZINC000093483572 345673792 /nfs/dbraw/zinc/67/37/92/345673792.db2.gz BEIKEFLENFQTGU-AOOOYVTPSA-N 0 3 213.302 0.594 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)C1(C)CCCC1 ZINC000673520749 488292630 /nfs/dbraw/zinc/29/26/30/488292630.db2.gz JVOUZNXZKAYIFP-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)[C@@H](CO)NCc1ccncc1N ZINC000641732506 362652174 /nfs/dbraw/zinc/65/21/74/362652174.db2.gz FTOXSXGGSUJRJB-LLVKDONJSA-N 0 3 209.293 0.770 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CC1(C)C ZINC000673523080 488292674 /nfs/dbraw/zinc/29/26/74/488292674.db2.gz ILIGWGKGWXYGTQ-RKDXNWHRSA-N 0 3 214.309 0.071 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)CC1CCCC1 ZINC000673521693 488292777 /nfs/dbraw/zinc/29/27/77/488292777.db2.gz MYMKTXSUHHEBQJ-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN C[NH2+]CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095309157 345685290 /nfs/dbraw/zinc/68/52/90/345685290.db2.gz GPSHQMVHQPLKJN-UHFFFAOYSA-N 0 3 246.274 0.415 20 0 BCADHN C[NH2+]CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095309157 345685291 /nfs/dbraw/zinc/68/52/91/345685291.db2.gz GPSHQMVHQPLKJN-UHFFFAOYSA-N 0 3 246.274 0.415 20 0 BCADHN C[C@@H]1CCC[C@H](C(=O)N[C@@H](CO)CN(C)C)C1 ZINC000673519788 488292904 /nfs/dbraw/zinc/29/29/04/488292904.db2.gz BJIRPJJBEOBOSY-GRYCIOLGSA-N 0 3 242.363 0.851 20 0 BCADHN COCc1cc(CNC[C@H](C)N(C)C)no1 ZINC000641717896 362639148 /nfs/dbraw/zinc/63/91/48/362639148.db2.gz RHEHIFDCXCLNNZ-VIFPVBQESA-N 0 3 227.308 0.861 20 0 BCADHN O=C(c1ccc2cncn2c1)N1CCNCC1 ZINC000213860746 345741195 /nfs/dbraw/zinc/74/11/95/345741195.db2.gz USQGVVPRVRYPOE-UHFFFAOYSA-N 0 3 230.271 0.380 20 0 BCADHN Nc1cnccc1CNCCNc1cnccn1 ZINC000641736809 362660482 /nfs/dbraw/zinc/66/04/82/362660482.db2.gz LMLGRJAAWPMRIU-UHFFFAOYSA-N 0 3 244.302 0.656 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)CCC1CCC1 ZINC000673522942 488293469 /nfs/dbraw/zinc/29/34/69/488293469.db2.gz HSJPBBMBSGFSLW-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CCC(C)(C)[C@@H](O)C(=O)NC[C@H]1CCCN1C ZINC000635559413 345750023 /nfs/dbraw/zinc/75/00/23/345750023.db2.gz QXFSNPYUAHKZQY-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN O=C(Nc1cnc2c(c1)CNCC2)c1cc[nH]n1 ZINC000145275282 345710466 /nfs/dbraw/zinc/71/04/66/345710466.db2.gz YHTSYFQVFJTADB-UHFFFAOYSA-N 0 3 243.270 0.703 20 0 BCADHN C[C@@H](O)CN1CCN(C[C@@H](C)O)C(C)(C)C1 ZINC000148048532 345718386 /nfs/dbraw/zinc/71/83/86/345718386.db2.gz PTWODVUXLONMOY-GHMZBOCLSA-N 0 3 230.352 0.144 20 0 BCADHN COCCCN1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000189555036 259384854 /nfs/dbraw/zinc/38/48/54/259384854.db2.gz XLKSUSTZEMJRMG-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN CC(=O)CCC(=O)NC[C@H]1CCCN(C)C1 ZINC000203586649 345731427 /nfs/dbraw/zinc/73/14/27/345731427.db2.gz HKHOXZULCSGQJB-LLVKDONJSA-N 0 3 226.320 0.814 20 0 BCADHN Cc1ncc(C(=O)N[C@@H](CO)CN(C)C)s1 ZINC000673522923 488293590 /nfs/dbraw/zinc/29/35/90/488293590.db2.gz HRBGYSZSBWFUEX-MRVPVSSYSA-N 0 3 243.332 0.104 20 0 BCADHN CNC(=O)CCN(C)C(=O)[C@H]1CCCCN1C ZINC000600989516 345777384 /nfs/dbraw/zinc/77/73/84/345777384.db2.gz PRHCNSYRPDCOCG-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C2(N)CCCC2)CCO1 ZINC000235705101 345785241 /nfs/dbraw/zinc/78/52/41/345785241.db2.gz DWZFPGJOZWEBMV-VHSXEESVSA-N 0 3 226.320 0.942 20 0 BCADHN CCCC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618300596 345787990 /nfs/dbraw/zinc/78/79/90/345787990.db2.gz XLHQSDALOVWOIQ-UHFFFAOYSA-N 0 3 243.351 0.265 20 0 BCADHN COC[C@H]1CCCN1C[C@@](C)(O)C(=O)OC ZINC000588960023 345830956 /nfs/dbraw/zinc/83/09/56/345830956.db2.gz IWDWRICXXWRQDH-MWLCHTKSSA-N 0 3 231.292 0.021 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CC[C@H](C(F)F)C1 ZINC000588963192 345838297 /nfs/dbraw/zinc/83/82/97/345838297.db2.gz HQOBBZUCVGHXNX-XVKPBYJWSA-N 0 3 237.246 0.497 20 0 BCADHN C[C@H](C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)N(C)C ZINC000635601380 345888014 /nfs/dbraw/zinc/88/80/14/345888014.db2.gz ATOXWWMCQZGJID-IJLUTSLNSA-N 0 3 241.379 0.735 20 0 BCADHN CC[C@@H](O)CN1CCCC[C@H]1CNC(C)=O ZINC000626156682 345871985 /nfs/dbraw/zinc/87/19/85/345871985.db2.gz SIMRDWPAPJSSCX-NWDGAFQWSA-N 0 3 228.336 0.748 20 0 BCADHN CNCC(=O)N(C)[C@@H](C)CCSC ZINC000158420004 345882834 /nfs/dbraw/zinc/88/28/34/345882834.db2.gz SFMGSMUAXJJTHT-QMMMGPOBSA-N 0 3 204.339 0.806 20 0 BCADHN COC(=O)CN(C)CCN1CCC(C)CC1 ZINC000179407029 345920923 /nfs/dbraw/zinc/92/09/23/345920923.db2.gz MEQRVEDIDUPBIL-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN1 ZINC000635646674 345923507 /nfs/dbraw/zinc/92/35/07/345923507.db2.gz XKPCUDOSGXIHRU-NXEZZACHSA-N 0 3 248.330 0.724 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCN1 ZINC000635646674 345923508 /nfs/dbraw/zinc/92/35/08/345923508.db2.gz XKPCUDOSGXIHRU-NXEZZACHSA-N 0 3 248.330 0.724 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C2)CN1C1CC1 ZINC000635663281 345955634 /nfs/dbraw/zinc/95/56/34/345955634.db2.gz DIMQQWNTGPYJEV-BFLSOPEQSA-N 0 3 238.331 0.499 20 0 BCADHN CC(=O)NC[C@@H]1CCCCN1CC[C@@H](C)O ZINC000626159696 345959130 /nfs/dbraw/zinc/95/91/30/345959130.db2.gz SKHQVDYKZUFSCN-PWSUYJOCSA-N 0 3 228.336 0.748 20 0 BCADHN CCOCC(=O)N1CCCN(C)C[C@@H]1CC ZINC000233973501 537923244 /nfs/dbraw/zinc/92/32/44/537923244.db2.gz ZBRURZMXADXKPU-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000577076779 365806437 /nfs/dbraw/zinc/80/64/37/365806437.db2.gz LAMPECNTMXBSBT-BDAKNGLRSA-N 0 3 230.308 0.298 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cccn(C)c1=O ZINC000381465811 345972099 /nfs/dbraw/zinc/97/20/99/345972099.db2.gz MMJFFVYUKMAHRT-SSDOTTSWSA-N 0 3 209.249 0.061 20 0 BCADHN Cc1nc[nH]c1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000635675989 345972648 /nfs/dbraw/zinc/97/26/48/345972648.db2.gz JVXOXHQHFDUTJN-KWQFWETISA-N 0 3 248.330 0.931 20 0 BCADHN C[C@@H](CCO)NC(=O)CN(C)CC(C)(C)C ZINC000635695544 345981740 /nfs/dbraw/zinc/98/17/40/345981740.db2.gz RODOXBUTBSASII-JTQLQIEISA-N 0 3 230.352 0.851 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCC[C@H](CCO)C1 ZINC000300290299 346021662 /nfs/dbraw/zinc/02/16/62/346021662.db2.gz XAULLJGVTOVVLZ-PWSUYJOCSA-N 0 3 245.319 0.005 20 0 BCADHN CC(C)(N)C(=O)N1CCOC2(CCOCC2)C1 ZINC000563208227 323101912 /nfs/dbraw/zinc/10/19/12/323101912.db2.gz VTNAGQWDXJNEAT-UHFFFAOYSA-N 0 3 242.319 0.132 20 0 BCADHN C[C@H](C(=O)N1CCN(C)[C@@H](C)[C@@H]1C)N(C)C ZINC000635762774 346052413 /nfs/dbraw/zinc/05/24/13/346052413.db2.gz QPMSBYNXPYIDIV-GARJFASQSA-N 0 3 227.352 0.488 20 0 BCADHN Cc1cc(CN(C)C)cc(NC(=O)C(N)=O)c1 ZINC000635741210 346054127 /nfs/dbraw/zinc/05/41/27/346054127.db2.gz SYSWRNKWYBMGDB-UHFFFAOYSA-N 0 3 235.287 0.480 20 0 BCADHN Cc1nc[nH]c1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000635780865 346055859 /nfs/dbraw/zinc/05/58/59/346055859.db2.gz UUTMOVARVMFCCT-GHMZBOCLSA-N 0 3 248.330 0.884 20 0 BCADHN CN(CC(=O)N1CC(CCO)C1)CC(C)(C)C ZINC000635768114 346058820 /nfs/dbraw/zinc/05/88/20/346058820.db2.gz BLYRFIBWXSCUGZ-UHFFFAOYSA-N 0 3 242.363 0.805 20 0 BCADHN CC(=O)C[C@H](C)NC(=O)C[C@H]1CCN(C)C1 ZINC000635727624 346038874 /nfs/dbraw/zinc/03/88/74/346038874.db2.gz ZILPBDXBFAUPAF-GXSJLCMTSA-N 0 3 226.320 0.812 20 0 BCADHN CN(CC(=O)N1CCC[C@@H]1CO)CC(C)(C)C ZINC000635738989 346040140 /nfs/dbraw/zinc/04/01/40/346040140.db2.gz KAPHXXSYTMIOGL-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CN(CC(=O)NC1(CO)CC1)CC(C)(C)C ZINC000635731535 346042829 /nfs/dbraw/zinc/04/28/29/346042829.db2.gz SJYCTYXWWGVMFW-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@H](C(=O)N1CCN(C)CC1(C)C)N(C)C ZINC000635752515 346049690 /nfs/dbraw/zinc/04/96/90/346049690.db2.gz LTFMYRVTMPWMIF-SNVBAGLBSA-N 0 3 227.352 0.489 20 0 BCADHN CC1=CCN(CCNC(=O)[C@@H](C)N(C)C)CC1 ZINC000635801997 346067953 /nfs/dbraw/zinc/06/79/53/346067953.db2.gz PPIKKLVATCLMST-GFCCVEGCSA-N 0 3 239.363 0.705 20 0 BCADHN CC(C)=C(C)CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000635800657 346067974 /nfs/dbraw/zinc/06/79/74/346067974.db2.gz DJVPHQCSDHWXAJ-CYBMUJFWSA-N 0 3 240.347 0.916 20 0 BCADHN CC(C)N1CCC[C@H](NC(=O)[C@H]2C[C@@H](O)C2)C1 ZINC000635807815 346072614 /nfs/dbraw/zinc/07/26/14/346072614.db2.gz PCRSKAABLWAYRL-SDDRHHMPSA-N 0 3 240.347 0.746 20 0 BCADHN CNC(=O)c1cccnc1NCC1(N(C)C)CC1 ZINC000419001855 192096599 /nfs/dbraw/zinc/09/65/99/192096599.db2.gz ATEPTQQRNXPBGE-UHFFFAOYSA-N 0 3 248.330 0.947 20 0 BCADHN O=C(NCCCCO)[C@@H]1CCN1C1CCCC1 ZINC000635865346 346097226 /nfs/dbraw/zinc/09/72/26/346097226.db2.gz RYSKGFRCHZNPFF-LBPRGKRZSA-N 0 3 240.347 0.892 20 0 BCADHN CC[C@@H]1CN(CC)CCN1C(=O)[C@@H](C)N(C)C ZINC000635993837 346144210 /nfs/dbraw/zinc/14/42/10/346144210.db2.gz BKQCLFHNDOAUKW-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN Cc1nc[nH]c1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000635954177 346123122 /nfs/dbraw/zinc/12/31/22/346123122.db2.gz LAOVOQPIEOVEQJ-ZJUUUORDSA-N 0 3 234.303 0.494 20 0 BCADHN C[C@H](C(=O)N1CC[C@H]2CN(C)C[C@@H]21)N(C)C ZINC000635956506 346131696 /nfs/dbraw/zinc/13/16/96/346131696.db2.gz YLYFLQNXPHPMIS-VWYCJHECSA-N 0 3 225.336 0.099 20 0 BCADHN C[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@H]21)N(C)C ZINC000635956499 346131804 /nfs/dbraw/zinc/13/18/04/346131804.db2.gz YLYFLQNXPHPMIS-GMTAPVOTSA-N 0 3 225.336 0.099 20 0 BCADHN CN(CC(=O)NC1(CCO)CC1)CC(C)(C)C ZINC000635961917 346134430 /nfs/dbraw/zinc/13/44/30/346134430.db2.gz TZWUATWGXASFSO-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN CCCN(C)CC(=O)N1CC(O)(C(F)F)C1 ZINC000425019703 323107482 /nfs/dbraw/zinc/10/74/82/323107482.db2.gz NRQPHACOPLWLAC-UHFFFAOYSA-N 0 3 236.262 0.167 20 0 BCADHN CC(C)N1CC[C@H](N(C)C(=O)[C@@H](C)N(C)C)C1 ZINC000636011956 346153299 /nfs/dbraw/zinc/15/32/99/346153299.db2.gz QNDJXWKHEWYULO-NEPJUHHUSA-N 0 3 241.379 0.878 20 0 BCADHN Cc1nc[nH]c1C(=O)NC(C)(C)CN(C)C ZINC000636012891 346154931 /nfs/dbraw/zinc/15/49/31/346154931.db2.gz PKOZXXLYLUQYGX-UHFFFAOYSA-N 0 3 224.308 0.788 20 0 BCADHN CCOC[C@@H](O)CNCc1ccnc(OC)c1 ZINC000069278648 349944152 /nfs/dbraw/zinc/94/41/52/349944152.db2.gz KUGARZYYWUGUIS-NSHDSACASA-N 0 3 240.303 0.577 20 0 BCADHN C[NH2+]CCCN(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000580325097 347089365 /nfs/dbraw/zinc/08/93/65/347089365.db2.gz NBTHFRYSOJOHBF-UHFFFAOYSA-N 0 3 247.302 0.639 20 0 BCADHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)CC1CC1 ZINC000632369748 346237339 /nfs/dbraw/zinc/23/73/39/346237339.db2.gz RRUKRQLJXVHKBJ-MWLCHTKSSA-N 0 3 246.376 0.751 20 0 BCADHN Cc1nc(C)c(CNC[C@@]2(O)CCO[C@@H]2C)o1 ZINC000628254678 346237439 /nfs/dbraw/zinc/23/74/39/346237439.db2.gz LAZXOKYRXYVBTH-SKDRFNHKSA-N 0 3 240.303 0.921 20 0 BCADHN CCCNS(=O)(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000632369706 346239548 /nfs/dbraw/zinc/23/95/48/346239548.db2.gz QZBLIFDYCMWLGM-NXEZZACHSA-N 0 3 249.380 0.255 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCC(=O)NC(C)(C)C ZINC000035661199 346254829 /nfs/dbraw/zinc/25/48/29/346254829.db2.gz WRTJUPGEMXCRDW-SECBINFHSA-N 0 3 243.351 0.391 20 0 BCADHN CCN(C(=O)c1ncc[nH]1)[C@H]1CCN(CC)C1 ZINC000617922942 346258882 /nfs/dbraw/zinc/25/88/82/346258882.db2.gz VYRIGMNXFOSKKR-JTQLQIEISA-N 0 3 236.319 0.966 20 0 BCADHN CNC(=O)C(C)(C)CNCc1ccncc1N ZINC000641742463 362668177 /nfs/dbraw/zinc/66/81/77/362668177.db2.gz LRCZQMZNMKOHCL-UHFFFAOYSA-N 0 3 236.319 0.526 20 0 BCADHN Cc1cccc(C(=O)N[C@H]2CC[NH2+]C2)c1[O-] ZINC000036286788 179024423 /nfs/dbraw/zinc/02/44/23/179024423.db2.gz GWHHSAAFVGZCJJ-VIFPVBQESA-N 0 3 220.272 0.792 20 0 BCADHN Cn1ncnc1CNCCCN1CCC1 ZINC000641741938 362669103 /nfs/dbraw/zinc/66/91/03/362669103.db2.gz FJCSAZMCSIILAK-UHFFFAOYSA-N 0 3 209.297 0.001 20 0 BCADHN Cc1cccc(C(=O)NC[C@]2(O)CCN(C)C2)n1 ZINC000358077087 179018079 /nfs/dbraw/zinc/01/80/79/179018079.db2.gz WXDNCOLBKMRWJT-CYBMUJFWSA-N 0 3 249.314 0.186 20 0 BCADHN Nc1cnccc1CN[C@H]1CCn2ccnc2C1 ZINC000641749499 362670100 /nfs/dbraw/zinc/67/01/00/362670100.db2.gz UBPCBZIEZGKWKT-NSHDSACASA-N 0 3 243.314 0.965 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1NCc1ccncc1N ZINC000641749569 362670587 /nfs/dbraw/zinc/67/05/87/362670587.db2.gz VELCPSTXTXACQA-WDEREUQCSA-N 0 3 221.304 0.913 20 0 BCADHN Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C2)c1[O-] ZINC000036286787 179022338 /nfs/dbraw/zinc/02/23/38/179022338.db2.gz GWHHSAAFVGZCJJ-SECBINFHSA-N 0 3 220.272 0.792 20 0 BCADHN CC(C)(O)CCNCc1ccncc1N ZINC000641747115 362674580 /nfs/dbraw/zinc/67/45/80/362674580.db2.gz GNYSMVDAPGHXTI-UHFFFAOYSA-N 0 3 209.293 0.914 20 0 BCADHN C[C@@H](CC[S@@](C)=O)NCc1ccncc1N ZINC000603426086 349949103 /nfs/dbraw/zinc/94/91/03/349949103.db2.gz JBYJPNIEKOYIFE-XXFAHNHDSA-N 0 3 241.360 0.911 20 0 BCADHN CNC(=O)C[C@H](C)NCc1ccncc1N ZINC000641758621 362688709 /nfs/dbraw/zinc/68/87/09/362688709.db2.gz SZLFPMHRKLKBMA-QMMMGPOBSA-N 0 3 222.292 0.278 20 0 BCADHN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N ZINC000083884341 179040454 /nfs/dbraw/zinc/04/04/54/179040454.db2.gz GQBIMYYQIBJXDY-SNVBAGLBSA-N 0 3 249.314 0.705 20 0 BCADHN CN[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000563349932 323120051 /nfs/dbraw/zinc/12/00/51/323120051.db2.gz UPSSYVYPDXRDJK-VIFPVBQESA-N 0 3 222.219 0.677 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC(COC)CC1 ZINC000069633000 349951991 /nfs/dbraw/zinc/95/19/91/349951991.db2.gz CSXLKOWMHYQISQ-SNVBAGLBSA-N 0 3 214.309 0.609 20 0 BCADHN Nc1cnccc1CNCCC1(CO)CC1 ZINC000641758049 362686409 /nfs/dbraw/zinc/68/64/09/362686409.db2.gz HKCROYZLGSVAOO-UHFFFAOYSA-N 0 3 221.304 0.916 20 0 BCADHN Nc1cnccc1CN[C@@H](CO)C1CCC1 ZINC000641771268 362710222 /nfs/dbraw/zinc/71/02/22/362710222.db2.gz AYWUIOOHMPIDHO-LBPRGKRZSA-N 0 3 221.304 0.914 20 0 BCADHN CC[C@H]1CCC[C@@H]1NC(=O)C(=O)N(C)CCN ZINC000419102066 192100505 /nfs/dbraw/zinc/10/05/05/192100505.db2.gz XSMXRWRCYUXXMI-UWVGGRQHSA-N 0 3 241.335 0.098 20 0 BCADHN Cc1cccc(CCCN2C[C@H](O)[C@@H](O)C2)c1 ZINC000278559478 179054408 /nfs/dbraw/zinc/05/44/08/179054408.db2.gz BIVQSXMEHINLLH-KBPBESRZSA-N 0 3 235.327 0.965 20 0 BCADHN CCCN1CC[C@H](NC(=O)[C@@H](C)N(C)C)C1 ZINC000636223096 346358485 /nfs/dbraw/zinc/35/84/85/346358485.db2.gz CZJWKRZOUSRXSN-MNOVXSKESA-N 0 3 227.352 0.537 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C2)CCN1 ZINC000636238906 346365284 /nfs/dbraw/zinc/36/52/84/346365284.db2.gz IHWKKPHIOZGHKT-AXFHLTTASA-N 0 3 226.320 0.214 20 0 BCADHN CCN(C(=O)[C@@H](C)N(C)C)[C@H]1CCN(C)C1 ZINC000636160065 346340527 /nfs/dbraw/zinc/34/05/27/346340527.db2.gz KLRJHCCBJYORRN-MNOVXSKESA-N 0 3 227.352 0.489 20 0 BCADHN CC[C@H](NC(=O)C(=O)N[C@@H](C)CN)C(C)C ZINC000419159144 192101122 /nfs/dbraw/zinc/10/11/22/192101122.db2.gz YVHSYHVKXIDUDV-IUCAKERBSA-N 0 3 229.324 0.001 20 0 BCADHN CCN(C(=O)CN(C)C)[C@H]1CCN(CC)C1 ZINC000617929149 346379917 /nfs/dbraw/zinc/37/99/17/346379917.db2.gz CESFFBJTPGDDBU-NSHDSACASA-N 0 3 227.352 0.491 20 0 BCADHN CN(C)CCCS(=O)(=O)N1CC[C@@H]1C1CC1 ZINC000632391480 346388008 /nfs/dbraw/zinc/38/80/08/346388008.db2.gz AAAIJYZMJSDIPC-LLVKDONJSA-N 0 3 246.376 0.752 20 0 BCADHN CC[C@@H](C)C[C@H](C)NC(=O)C(=O)N[C@@H](C)CN ZINC000419175676 192102037 /nfs/dbraw/zinc/10/20/37/192102037.db2.gz PPTICWPQDRRMSB-UTLUCORTSA-N 0 3 243.351 0.391 20 0 BCADHN CC[C@@H](C(=O)N1CC(OC(C)C)C1)N(C)C ZINC000636324635 346395212 /nfs/dbraw/zinc/39/52/12/346395212.db2.gz ADMWDGKPTAFMMQ-NSHDSACASA-N 0 3 228.336 0.962 20 0 BCADHN CO[C@@H](CC(C)C)CN1CCN(CCO)CC1 ZINC000419200694 192102636 /nfs/dbraw/zinc/10/26/36/192102636.db2.gz MAUNXCRUVVORRA-ZDUSSCGKSA-N 0 3 244.379 0.657 20 0 BCADHN CC[C@@H](N)C(=O)N1CCNC(=O)[C@@H]1CC(C)C ZINC000574917692 346410800 /nfs/dbraw/zinc/41/08/00/346410800.db2.gz MZNCRENJOQOBEN-ZJUUUORDSA-N 0 3 241.335 0.097 20 0 BCADHN Cc1ncc(CN[C@H]2CCC(=O)N(C)C2)n1C ZINC000574928005 346416730 /nfs/dbraw/zinc/41/67/30/346416730.db2.gz FHZSCUZXJSDLQW-JTQLQIEISA-N 0 3 236.319 0.439 20 0 BCADHN CN1CCC(CCO)(NCc2cc[nH]n2)CC1 ZINC000563417538 323123693 /nfs/dbraw/zinc/12/36/93/323123693.db2.gz MTHTUGAJQWZZRV-UHFFFAOYSA-N 0 3 238.335 0.346 20 0 BCADHN CN[C@H](C)C(=O)N[C@H]1CC[C@H](OC)C1 ZINC000300363560 346432074 /nfs/dbraw/zinc/43/20/74/346432074.db2.gz HZHZSULPDCUGJN-VGMNWLOBSA-N 0 3 200.282 0.278 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@H]1COCCO1 ZINC000332766378 346433560 /nfs/dbraw/zinc/43/35/60/346433560.db2.gz APAJMLWVTJDDIV-WDEREUQCSA-N 0 3 242.319 0.002 20 0 BCADHN Cc1cccc(CNC(=O)[C@H](N)C(C)C)n1 ZINC000051576718 179087279 /nfs/dbraw/zinc/08/72/79/179087279.db2.gz UCQSNVZKMSHSGS-LLVKDONJSA-N 0 3 221.304 0.990 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)NCC2CC2)C1 ZINC000170828019 346456408 /nfs/dbraw/zinc/45/64/08/346456408.db2.gz JGVMLILQDHUTDT-JTQLQIEISA-N 0 3 211.309 0.742 20 0 BCADHN COc1cc(CN2CCNC[C@@](C)(F)C2)on1 ZINC000641800227 362750016 /nfs/dbraw/zinc/75/00/16/362750016.db2.gz ZIKAUUDWPOFGFR-LLVKDONJSA-N 0 3 243.282 0.817 20 0 BCADHN Cc1cc(C(=O)NC[C@H](C)N(C)C)ncn1 ZINC000574971208 346475902 /nfs/dbraw/zinc/47/59/02/346475902.db2.gz OVHSLJHAZYOGIG-VIFPVBQESA-N 0 3 222.292 0.465 20 0 BCADHN CC[C@@H]1CN(CC[C@@H]2CCNC2=O)CCO1 ZINC000580615170 365819719 /nfs/dbraw/zinc/81/97/19/365819719.db2.gz UPGNPJDQUJBMSK-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CCOC[C@@H](O)CNCc1n[nH]c(C2CC2)n1 ZINC000580065269 346505630 /nfs/dbraw/zinc/50/56/30/346505630.db2.gz QNPMQNDBJNANIY-VIFPVBQESA-N 0 3 240.307 0.169 20 0 BCADHN COCCNCCNC(=O)N(C)C(C)C ZINC000580074292 346510405 /nfs/dbraw/zinc/51/04/05/346510405.db2.gz NMMXHQJAWFAUIU-UHFFFAOYSA-N 0 3 217.313 0.272 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCc1ccccn1 ZINC000577107301 365819503 /nfs/dbraw/zinc/81/95/03/365819503.db2.gz MKLVJMJRMFUOOK-VXGBXAGGSA-N 0 3 222.288 0.628 20 0 BCADHN C[C@@H]1CCCC[C@@H]1OCCNC(CO)CO ZINC000565165414 323127323 /nfs/dbraw/zinc/12/73/23/323127323.db2.gz WQLREEWHJPIJDT-PWSUYJOCSA-N 0 3 231.336 0.525 20 0 BCADHN CC(C)CN(CCN(C)C)C(=O)[C@@H](C)O ZINC000345449217 535050864 /nfs/dbraw/zinc/05/08/64/535050864.db2.gz PSMJATSFFAOTMU-SNVBAGLBSA-N 0 3 216.325 0.413 20 0 BCADHN Cc1cccc(N(C)C(=O)[C@H]2C[C@H](O)CN2)c1 ZINC000237080463 179114366 /nfs/dbraw/zinc/11/43/66/179114366.db2.gz JNBJLHKDXIGZFP-NWDGAFQWSA-N 0 3 234.299 0.681 20 0 BCADHN O[C@@H](CNCCCn1ccnn1)C(F)(F)F ZINC000163854382 346579826 /nfs/dbraw/zinc/57/98/26/346579826.db2.gz YZVNOFMIFJGFMW-ZETCQYMHSA-N 0 3 238.213 0.181 20 0 BCADHN O[C@H](CNCCCn1ccnn1)C(F)(F)F ZINC000163854506 346580074 /nfs/dbraw/zinc/58/00/74/346580074.db2.gz YZVNOFMIFJGFMW-SSDOTTSWSA-N 0 3 238.213 0.181 20 0 BCADHN CC[C@@](C)(CO)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000563546666 323129805 /nfs/dbraw/zinc/12/98/05/323129805.db2.gz INCKEJNCZPGWKC-AAEUAGOBSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@@H](c1cnccn1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000518790183 259391857 /nfs/dbraw/zinc/39/18/57/259391857.db2.gz AEXRBOXUYPRCDQ-DLOVCJGASA-N 0 3 236.319 0.144 20 0 BCADHN CSC1CCN(C(=O)C2(N)CC2)CC1 ZINC000300911550 346652118 /nfs/dbraw/zinc/65/21/18/346652118.db2.gz XJXFLSRQDGUPBL-UHFFFAOYSA-N 0 3 214.334 0.832 20 0 BCADHN Cc1cc(C(F)(F)F)c(=O)n(CCN)n1 ZINC000580645053 365840502 /nfs/dbraw/zinc/84/05/02/365840502.db2.gz RPOYDSSAQDSAPB-UHFFFAOYSA-N 0 3 221.182 0.529 20 0 BCADHN C[C@H]1CCCCN(CC(=O)NC(N)=O)C1 ZINC000187984863 346667425 /nfs/dbraw/zinc/66/74/25/346667425.db2.gz QPFHDDPTMIPLQQ-QMMMGPOBSA-N 0 3 213.281 0.303 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000166274555 346670177 /nfs/dbraw/zinc/67/01/77/346670177.db2.gz JWNVOHPRGZXROD-BQBZGAKWSA-N 0 3 239.241 0.086 20 0 BCADHN CC(C)CC[C@H](O)CN[C@@H]1CCCN(C)C1=O ZINC000580183189 346626626 /nfs/dbraw/zinc/62/66/26/346626626.db2.gz XBUHVXLWWRLGQI-NWDGAFQWSA-N 0 3 242.363 0.994 20 0 BCADHN CC(=O)CCC(=O)NCC1CCN(C)CC1 ZINC000203586638 346641208 /nfs/dbraw/zinc/64/12/08/346641208.db2.gz ZTUGJPXOOKJDOC-UHFFFAOYSA-N 0 3 226.320 0.814 20 0 BCADHN Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2)c1 ZINC000020434453 179139403 /nfs/dbraw/zinc/13/94/03/179139403.db2.gz JZBDVNCEMQDQOP-MNOVXSKESA-N 0 3 220.272 0.656 20 0 BCADHN CSCCNC(=O)CN(C)C(C)C ZINC000308160032 346708755 /nfs/dbraw/zinc/70/87/55/346708755.db2.gz DHEWTYMQPUBPKK-UHFFFAOYSA-N 0 3 204.339 0.806 20 0 BCADHN CCN(CC)C(=O)CN(C)C(=O)[C@H](N)C(C)C ZINC000037818040 346709427 /nfs/dbraw/zinc/70/94/27/346709427.db2.gz DCYSOFLEDIYTJS-LLVKDONJSA-N 0 3 243.351 0.297 20 0 BCADHN NC(=O)[C@H]1CCCN1CCCCCO ZINC000167683141 346714656 /nfs/dbraw/zinc/71/46/56/346714656.db2.gz CIESVMXWILBKJM-SECBINFHSA-N 0 3 200.282 0.099 20 0 BCADHN CCN1CCCN(C(=O)COC(C)C)CC1 ZINC000307767102 346682861 /nfs/dbraw/zinc/68/28/61/346682861.db2.gz ANZWIUOJUXAWPI-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CCCN(C)CC1 ZINC000037480521 346697136 /nfs/dbraw/zinc/69/71/36/346697136.db2.gz LDNBVSOAYHFHDA-LLVKDONJSA-N 0 3 227.352 0.668 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](C)C(=O)NCC ZINC000037481489 346698802 /nfs/dbraw/zinc/69/88/02/346698802.db2.gz MLESHMGYDVLQKZ-KCJUWKMLSA-N 0 3 229.324 0.145 20 0 BCADHN CCOCC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000617933706 346733967 /nfs/dbraw/zinc/73/39/67/346733967.db2.gz XEQFNVCTBYITDZ-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000577176074 365853741 /nfs/dbraw/zinc/85/37/41/365853741.db2.gz MPKHXQXTJCPFKW-UTINFBMNSA-N 0 3 212.293 0.407 20 0 BCADHN CN1CCN(CCCNCc2cn[nH]c2)CC1 ZINC000589842292 346743611 /nfs/dbraw/zinc/74/36/11/346743611.db2.gz KLMSKHLOGHKKPQ-UHFFFAOYSA-N 0 3 237.351 0.137 20 0 BCADHN C[C@H](O)C[N@H+](Cc1ncccc1[O-])[C@@H](C)CO ZINC000563656654 323133819 /nfs/dbraw/zinc/13/38/19/323133819.db2.gz OLLMKGRBZJJXTG-UWVGGRQHSA-N 0 3 240.303 0.351 20 0 BCADHN C[C@H](O)C[N@@H+](Cc1ncccc1[O-])[C@@H](C)CO ZINC000563656654 323133820 /nfs/dbraw/zinc/13/38/20/323133820.db2.gz OLLMKGRBZJJXTG-UWVGGRQHSA-N 0 3 240.303 0.351 20 0 BCADHN C[C@H]1CN(C(=O)CC(F)(F)CN)C[C@H](C)N1 ZINC000577187288 365867215 /nfs/dbraw/zinc/86/72/15/365867215.db2.gz UPQOVPKAMYXPBM-YUMQZZPRSA-N 0 3 235.278 0.179 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CC[C@H](CC2CC2)C1 ZINC000590202373 346789309 /nfs/dbraw/zinc/78/93/09/346789309.db2.gz OWXPUZKMXJKIIT-PSASIEDQSA-N 0 3 239.319 0.692 20 0 BCADHN NC(=O)NC(=O)CN1CC[C@@H](CC2CC2)C1 ZINC000590202370 346789649 /nfs/dbraw/zinc/78/96/49/346789649.db2.gz NMZPMBYZISEOAE-VIFPVBQESA-N 0 3 225.292 0.303 20 0 BCADHN Cc1cccc(OCCN(CCO)CCO)c1 ZINC000049753518 179167112 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BCADHN CN(C)c1ccnc(NC(=O)Cc2nnc[nH]2)c1 ZINC000632411657 347313116 /nfs/dbraw/zinc/31/31/16/347313116.db2.gz HFJFGBQYAAKJCQ-UHFFFAOYSA-N 0 3 246.274 0.447 20 0 BCADHN CN(C)c1cc[nH+]c(NC(=O)Cc2nnc[n-]2)c1 ZINC000632411657 347313119 /nfs/dbraw/zinc/31/31/19/347313119.db2.gz HFJFGBQYAAKJCQ-UHFFFAOYSA-N 0 3 246.274 0.447 20 0 BCADHN C/C=C\C[C@H](CO)NC(=O)CN(C)CCC ZINC000354215826 187374129 /nfs/dbraw/zinc/37/41/29/187374129.db2.gz JYRBIXFRLMVLMB-VLWUPBBWSA-N 0 3 228.336 0.772 20 0 BCADHN CCOCCCCNC(=O)C[C@H]1CNCCO1 ZINC000388369386 347365922 /nfs/dbraw/zinc/36/59/22/347365922.db2.gz BYWXWOBJUFPXFF-NSHDSACASA-N 0 3 244.335 0.298 20 0 BCADHN CCN(CC)C(=O)[C@H](C)N1CCNCC1 ZINC000019977172 347383432 /nfs/dbraw/zinc/38/34/32/347383432.db2.gz UANAFUWUBATXAN-JTQLQIEISA-N 0 3 213.325 0.149 20 0 BCADHN CC[C@@H](N)C(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC000571439146 323144938 /nfs/dbraw/zinc/14/49/38/323144938.db2.gz MJZFXRKYFDIJMQ-ZJUUUORDSA-N 0 3 228.336 0.637 20 0 BCADHN CCOCCCCNC(=O)C1(N)CCC1 ZINC000388418845 347396736 /nfs/dbraw/zinc/39/67/36/347396736.db2.gz GQVNWEDSWAGOKE-UHFFFAOYSA-N 0 3 214.309 0.801 20 0 BCADHN COC1CCN(C(=O)C2(N)CCC2)CC1 ZINC000088050282 362840738 /nfs/dbraw/zinc/84/07/38/362840738.db2.gz IRQJRZCACQQHJY-UHFFFAOYSA-N 0 3 212.293 0.505 20 0 BCADHN C[C@@H](C(=O)N(C)Cc1cnc[nH]1)N(C)C ZINC000616925383 347455597 /nfs/dbraw/zinc/45/55/97/347455597.db2.gz FXKOZXHEOLWISU-QMMMGPOBSA-N 0 3 210.281 0.318 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2nccnc2N)CCN1 ZINC000621155008 347421901 /nfs/dbraw/zinc/42/19/01/347421901.db2.gz WVLDSIAJRNLJPV-SECBINFHSA-N 0 3 249.318 0.129 20 0 BCADHN CC1(C)CN([C@H]2CCCCNC2=O)CC[C@@H]1O ZINC000301942777 347444084 /nfs/dbraw/zinc/44/40/84/347444084.db2.gz ZWOSXMIMSLGUJV-QWRGUYRKSA-N 0 3 240.347 0.748 20 0 BCADHN COC(=O)[C@@H]1CCC[C@@H]1NCc1cncn1C ZINC000590657358 347486459 /nfs/dbraw/zinc/48/64/59/347486459.db2.gz IBJAPMWSFBKYSD-MNOVXSKESA-N 0 3 237.303 0.851 20 0 BCADHN COC(=O)[C@@H]1CCC[C@@H]1NCc1cnn(C)c1 ZINC000590658149 347487339 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/nfs/dbraw/zinc/10/71/81/192107181.db2.gz QSUSNNNLEQYTMH-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN C[C@@H](NC1CC1)C(=O)Nc1ccc(=O)n(C)c1 ZINC000382975497 347518280 /nfs/dbraw/zinc/51/82/80/347518280.db2.gz SIYWEIYYYZOELN-MRVPVSSYSA-N 0 3 235.287 0.464 20 0 BCADHN CNC(=O)C(C)(C)CNC(=O)[C@H](C)NC1CC1 ZINC000382991092 347521373 /nfs/dbraw/zinc/52/13/73/347521373.db2.gz YIYSDTNLIJDEMM-QMMMGPOBSA-N 0 3 241.335 0.015 20 0 BCADHN Cc1nccc(C(=O)N(C)CCN2CCCC2)n1 ZINC000590739343 347501964 /nfs/dbraw/zinc/50/19/64/347501964.db2.gz BQQJKBKSNFAMIQ-UHFFFAOYSA-N 0 3 248.330 0.953 20 0 BCADHN CN(CCN1CCCC1)C(=O)c1ccn(C)n1 ZINC000590739327 347502236 /nfs/dbraw/zinc/50/22/36/347502236.db2.gz USZGBENLUSZCNI-UHFFFAOYSA-N 0 3 236.319 0.588 20 0 BCADHN Cc1ccccc1CC(=O)NC[C@@H]1CNCCO1 ZINC000036284862 179258354 /nfs/dbraw/zinc/25/83/54/179258354.db2.gz FCIAEULUKYMWIC-ZDUSSCGKSA-N 0 3 248.326 0.642 20 0 BCADHN CN1CCC[C@H](NC(=O)NCc2ccccn2)C1 ZINC000616981393 347563232 /nfs/dbraw/zinc/56/32/32/347563232.db2.gz 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238.331 0.766 20 0 BCADHN CCC[C@H](N)c1cn(CC(=O)OC)nn1 ZINC000594643820 348097955 /nfs/dbraw/zinc/09/79/55/348097955.db2.gz LIZRHIFLVFEWKV-ZETCQYMHSA-N 0 3 212.253 0.251 20 0 BCADHN COCC(COC)N[C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594947650 348146775 /nfs/dbraw/zinc/14/67/75/348146775.db2.gz BCTKMTOXXAIVQK-DVVUODLYSA-N 0 3 245.319 0.435 20 0 BCADHN CCCNC(=O)CN[C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594916605 348152677 /nfs/dbraw/zinc/15/26/77/348152677.db2.gz HKCUCVWBMKENLY-KXUCPTDWSA-N 0 3 242.319 0.300 20 0 BCADHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCC(=O)NC(C)C ZINC000594916537 348152713 /nfs/dbraw/zinc/15/27/13/348152713.db2.gz FKINJGUAASQJPC-KXUCPTDWSA-N 0 3 242.319 0.298 20 0 BCADHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NCc1cnn(C)c1 ZINC000594922546 348156167 /nfs/dbraw/zinc/15/61/67/348156167.db2.gz FGTPAPQLVIMIJN-INTQDDNPSA-N 0 3 237.303 0.707 20 0 BCADHN CCn1nncc1CNCCSC ZINC000594967836 348161536 /nfs/dbraw/zinc/16/15/36/348161536.db2.gz WJEMDAQSQDFVDI-UHFFFAOYSA-N 0 3 200.311 0.751 20 0 BCADHN C[C@H](CSCCF)N[C@H]1CC(=O)N(C)C1 ZINC000595029891 348174073 /nfs/dbraw/zinc/17/40/73/348174073.db2.gz ADQZXJGKJZKUEM-BDAKNGLRSA-N 0 3 234.340 0.898 20 0 BCADHN CC[C@@H](C(=O)N1CCO[C@H](CC)C1)N(C)C ZINC000121517736 187387323 /nfs/dbraw/zinc/38/73/23/187387323.db2.gz HAISSVZPTVQMPT-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN COC(=O)[C@@H]1CCN(CCO[C@@H]2CC2(F)F)C1 ZINC000595293286 348215226 /nfs/dbraw/zinc/21/52/26/348215226.db2.gz JBWCLFLJRULBGF-RKDXNWHRSA-N 0 3 249.257 0.906 20 0 BCADHN CCN(CCC(=O)OC)C[C@@H](COC)OC ZINC000595297981 348216755 /nfs/dbraw/zinc/21/67/55/348216755.db2.gz MGCILXFYCBAGJH-JTQLQIEISA-N 0 3 233.308 0.533 20 0 BCADHN Cc1cccnc1CN(C[C@H](C)O)[C@H](C)CO ZINC000249007484 179374101 /nfs/dbraw/zinc/37/41/01/179374101.db2.gz ZRAFXUZPZPUTEB-NEPJUHHUSA-N 0 3 238.331 0.954 20 0 BCADHN CC(C)CCS(=O)(=O)N[C@@H]1CNCC[C@@H]1C ZINC000082629046 348197852 /nfs/dbraw/zinc/19/78/52/348197852.db2.gz MSNABIICBRYDJK-WDEREUQCSA-N 0 3 248.392 0.950 20 0 BCADHN CN[C@@H](C)C(=O)N[C@](C)(CCF)C(=O)OC ZINC000595258214 348205229 /nfs/dbraw/zinc/20/52/29/348205229.db2.gz SVYNSXYORZPUPN-OIBJUYFYSA-N 0 3 234.271 0.002 20 0 BCADHN CCSC1(CNC(=O)CNC)CC1 ZINC000595258462 348205448 /nfs/dbraw/zinc/20/54/48/348205448.db2.gz MVEZTDDREAZAGM-UHFFFAOYSA-N 0 3 202.323 0.608 20 0 BCADHN CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)CNC ZINC000595259082 348205800 /nfs/dbraw/zinc/20/58/00/348205800.db2.gz HGSDSGBFPLKEEW-SKDRFNHKSA-N 0 3 242.319 0.444 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@H](C)CCO ZINC000305183402 187389253 /nfs/dbraw/zinc/38/92/53/187389253.db2.gz SQKXVZBLNZCDTC-SNVBAGLBSA-N 0 3 216.325 0.461 20 0 BCADHN CN(C(=O)[C@@H]1CCCO1)[C@@H]1CCCN(C)C1 ZINC000122741747 187389413 /nfs/dbraw/zinc/38/94/13/187389413.db2.gz TYHVQEOWSADLKL-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN CC[C@H](CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)OC ZINC000419257942 192116115 /nfs/dbraw/zinc/11/61/15/192116115.db2.gz MWWKQWCWTZCUKK-IRCOFANPSA-N 0 3 240.347 0.997 20 0 BCADHN Cc1cccnc1CNC(=O)[C@@H](N)C(C)C ZINC000070909437 179380700 /nfs/dbraw/zinc/38/07/00/179380700.db2.gz RKHHFJDIMJQAID-NSHDSACASA-N 0 3 221.304 0.990 20 0 BCADHN CCC[C@H](CC)NC(=O)C(=O)N(C)[C@@H](C)CN ZINC000419256776 192115962 /nfs/dbraw/zinc/11/59/62/192115962.db2.gz HQNYGSIKMFKNDQ-UWVGGRQHSA-N 0 3 243.351 0.487 20 0 BCADHN CC[C@@H](CN(C)[C@]1(CO)CCOC1)OC ZINC000419236980 192113847 /nfs/dbraw/zinc/11/38/47/192113847.db2.gz BORQOMRAAZIHMJ-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN CC[C@H](CN(C)[C@]1(CO)CCOC1)OC ZINC000419236979 192113907 /nfs/dbraw/zinc/11/39/07/192113907.db2.gz BORQOMRAAZIHMJ-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)NC[C@H]1CCC[C@H]1C ZINC000419244695 192114519 /nfs/dbraw/zinc/11/45/19/192114519.db2.gz UTXZWDSVLNLKQH-KXUCPTDWSA-N 0 3 241.335 0.002 20 0 BCADHN CC[C@H](CN(CCO)[C@H]1CCO[C@H]1C)OC ZINC000419289377 192118154 /nfs/dbraw/zinc/11/81/54/192118154.db2.gz ITZLDQQKARWEHY-TUAOUCFPSA-N 0 3 231.336 0.883 20 0 BCADHN OC[C@H](NCCOCC1CCC1)[C@H]1CCCO1 ZINC000419295374 192118707 /nfs/dbraw/zinc/11/87/07/192118707.db2.gz QQHPOKJBYCWJEB-QWHCGFSZSA-N 0 3 243.347 0.933 20 0 BCADHN CO[C@H](CC(C)C)CN1CCOC[C@H](O)C1 ZINC000419294066 192118995 /nfs/dbraw/zinc/11/89/95/192118995.db2.gz VMZHVVANUPFXCC-VXGBXAGGSA-N 0 3 231.336 0.741 20 0 BCADHN CO[C@H](CC(C)C)CN1C[C@@H](O)[C@H](O)C1 ZINC000419303859 192120052 /nfs/dbraw/zinc/12/00/52/192120052.db2.gz INXYJLHSOJEFDA-GMTAPVOTSA-N 0 3 217.309 0.085 20 0 BCADHN CCC[C@H](CC)NC(=O)C(=O)N(C)CCN ZINC000419259483 192117182 /nfs/dbraw/zinc/11/71/82/192117182.db2.gz LQYYYVIICVNBCB-VIFPVBQESA-N 0 3 229.324 0.098 20 0 BCADHN CO[C@]1(CO)CCCN(C[C@H](O)CSC)C1 ZINC000595657677 348297906 /nfs/dbraw/zinc/29/79/06/348297906.db2.gz FOENOVVCPHUSJQ-WDEREUQCSA-N 0 3 249.376 0.184 20 0 BCADHN COC(=O)[C@@H]1OCC[C@@H]1NCCCF ZINC000595663389 348301174 /nfs/dbraw/zinc/30/11/74/348301174.db2.gz SKBQIMOUNZYHJK-JGVFFNPUSA-N 0 3 205.229 0.266 20 0 BCADHN C[C@@H](NC1(C(N)=O)CC1)[C@@H]1CCCOC1 ZINC000308977021 323183113 /nfs/dbraw/zinc/18/31/13/323183113.db2.gz GXBZYNSZOXCHFR-RKDXNWHRSA-N 0 3 212.293 0.409 20 0 BCADHN CNC(=O)[C@H](CC(C)C)NC1CC(OC)C1 ZINC000220899670 490155632 /nfs/dbraw/zinc/15/56/32/490155632.db2.gz SFAIMYGYUFZTDW-ILDUYXDCSA-N 0 3 228.336 0.914 20 0 BCADHN CCOC(=O)CCCN1CCC(O)(CO)CC1 ZINC000595734858 348318052 /nfs/dbraw/zinc/31/80/52/348318052.db2.gz CKZRDKYQUNEGNO-UHFFFAOYSA-N 0 3 245.319 0.149 20 0 BCADHN CSC[C@H](O)CN(C)C[C@@H]1COCCO1 ZINC000595735207 348318475 /nfs/dbraw/zinc/31/84/75/348318475.db2.gz DXUVWEUBXTVXSC-NXEZZACHSA-N 0 3 235.349 0.058 20 0 BCADHN C[C@@H](Cn1cccn1)NC[C@@H](O)C(F)(F)F ZINC000082680911 348319069 /nfs/dbraw/zinc/31/90/69/348319069.db2.gz GLUAFTDHBCDZHK-JGVFFNPUSA-N 0 3 237.225 0.784 20 0 BCADHN C[C@H](Cn1cccn1)NC[C@H](O)C(F)(F)F ZINC000082680910 348319286 /nfs/dbraw/zinc/31/92/86/348319286.db2.gz GLUAFTDHBCDZHK-SFYZADRCSA-N 0 3 237.225 0.784 20 0 BCADHN CCn1nncc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000651933851 490161175 /nfs/dbraw/zinc/16/11/75/490161175.db2.gz MVEFAMBBERSVLA-MXWKQRLJSA-N 0 3 222.292 0.708 20 0 BCADHN CC(C)C[C@@H](N)C(=O)NCCn1cccn1 ZINC000042542361 187394567 /nfs/dbraw/zinc/39/45/67/187394567.db2.gz JGVVPLRIYZRACI-SNVBAGLBSA-N 0 3 224.308 0.373 20 0 BCADHN CC(C)[C@H](C(=O)NCC[C@@H](C)O)N(C)C ZINC000126240630 187394165 /nfs/dbraw/zinc/39/41/65/187394165.db2.gz DJAXXIGDNDTUMG-NXEZZACHSA-N 0 3 216.325 0.460 20 0 BCADHN CCS(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000152883905 362887525 /nfs/dbraw/zinc/88/75/25/362887525.db2.gz OXRKVBCXGOTGGD-MNOVXSKESA-N 0 3 246.376 0.752 20 0 BCADHN COC(=O)[C@](C)(CCF)NC[C@H]1CCCN1C ZINC000595774686 348338091 /nfs/dbraw/zinc/33/80/91/348338091.db2.gz YBQLFGBVTYCRRV-PWSUYJOCSA-N 0 3 246.326 0.962 20 0 BCADHN CSC[C@@H](O)CN(C)CC1=CCCOC1 ZINC000595748010 348339951 /nfs/dbraw/zinc/33/99/51/348339951.db2.gz SRGMMYNQCKBYPM-NSHDSACASA-N 0 3 231.361 0.989 20 0 BCADHN CCOC(=O)CCCN(C)C[C@@H]1COCCO1 ZINC000595745685 348340185 /nfs/dbraw/zinc/34/01/85/348340185.db2.gz ZEPPVAKINIGEQG-LLVKDONJSA-N 0 3 245.319 0.677 20 0 BCADHN CCn1nc(C)cc1NC(=O)CNC1CC1 ZINC000638699657 352538453 /nfs/dbraw/zinc/53/84/53/352538453.db2.gz PAVCZOJREWITHK-UHFFFAOYSA-N 0 3 222.292 0.902 20 0 BCADHN COC(=O)[C@](C)(O)CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781469 348345229 /nfs/dbraw/zinc/34/52/29/348345229.db2.gz UHOFJZCASJEGOU-JFGNBEQYSA-N 0 3 245.319 0.410 20 0 BCADHN CCOC[C@H](O)CNCc1c[nH]nc1C ZINC000309095876 349985129 /nfs/dbraw/zinc/98/51/29/349985129.db2.gz GRJBLWWTXMVGIR-SNVBAGLBSA-N 0 3 213.281 0.205 20 0 BCADHN CNC(=O)CCNCc1cnn(C(C)(C)C)c1 ZINC000044990312 187395223 /nfs/dbraw/zinc/39/52/23/187395223.db2.gz VJQGOSXLIXMQIY-UHFFFAOYSA-N 0 3 238.335 0.864 20 0 BCADHN O=C(NC[C@@H]1CCCS1)[C@@]1(F)CCNC1 ZINC000361739408 187395444 /nfs/dbraw/zinc/39/54/44/187395444.db2.gz RFBVDZQWPPMJEH-WCBMZHEXSA-N 0 3 232.324 0.700 20 0 BCADHN COCCOCCN(C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595848087 348355308 /nfs/dbraw/zinc/35/53/08/348355308.db2.gz LLKYUXFCRBFFEN-PHIMTYICSA-N 0 3 245.319 0.533 20 0 BCADHN COC(=O)[C@H]1C[C@@H](N(C)C[C@H](C)OC)C1 ZINC000595856209 348357757 /nfs/dbraw/zinc/35/77/57/348357757.db2.gz KSZGAJSJSPNTFV-LPEHRKFASA-N 0 3 215.293 0.905 20 0 BCADHN C[C@@H]1CN(CCS(=O)(=O)N(C)C)[C@@H](C)[C@H]1C ZINC000419330733 192123044 /nfs/dbraw/zinc/12/30/44/192123044.db2.gz BVZSNRBVYIIILA-VWYCJHECSA-N 0 3 248.392 0.854 20 0 BCADHN CCCNC(=O)CN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000395063356 323186640 /nfs/dbraw/zinc/18/66/40/323186640.db2.gz PVIOAHWXULRJLR-IVZWLZJFSA-N 0 3 214.309 0.668 20 0 BCADHN COC(=O)CN(C(=O)[C@H](C)N)C1CCCCC1 ZINC000595963673 348405985 /nfs/dbraw/zinc/40/59/85/348405985.db2.gz CQHYUAPTPXTWKV-VIFPVBQESA-N 0 3 242.319 0.668 20 0 BCADHN CNCC(=O)N(CC(=O)OC)C1CCCCC1 ZINC000595964030 348406013 /nfs/dbraw/zinc/40/60/13/348406013.db2.gz DTRLJTRTFIQNBI-UHFFFAOYSA-N 0 3 242.319 0.540 20 0 BCADHN C=Cn1cc(CNCCCC(=O)N(C)C)cn1 ZINC000194266851 187396502 /nfs/dbraw/zinc/39/65/02/187396502.db2.gz PJHAKCGMMVTFOX-UHFFFAOYSA-N 0 3 236.319 0.942 20 0 BCADHN COC(=O)[C@@]1(NC(=O)[C@@H](C)N)CC[C@@H](C)CC1 ZINC000595969111 348407592 /nfs/dbraw/zinc/40/75/92/348407592.db2.gz LIADDRZVNAIKKN-KBVBSXBZSA-N 0 3 242.319 0.572 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H](CC(=O)OC)C1CC1 ZINC000595972979 348407967 /nfs/dbraw/zinc/40/79/67/348407967.db2.gz NSKGDMHNABRUML-NXEZZACHSA-N 0 3 242.319 0.429 20 0 BCADHN CC[C@H](C)CCNC(=O)[C@@H](N)CCC(=O)OC ZINC000595938959 348409021 /nfs/dbraw/zinc/40/90/21/348409021.db2.gz BVPXBOWCTDGPDJ-UWVGGRQHSA-N 0 3 244.335 0.819 20 0 BCADHN CC[C@@H](C)CCNC(=O)[C@H](N)CCC(=O)OC ZINC000595938958 348409046 /nfs/dbraw/zinc/40/90/46/348409046.db2.gz BVPXBOWCTDGPDJ-NXEZZACHSA-N 0 3 244.335 0.819 20 0 BCADHN COC(=O)c1occc1CNC(=O)[C@@H](C)N ZINC000595942200 348410160 /nfs/dbraw/zinc/41/01/60/348410160.db2.gz BOTLMDCWYSAGDR-ZCFIWIBFSA-N 0 3 226.232 0.030 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NCCC(C)(C)F ZINC000595945447 348411474 /nfs/dbraw/zinc/41/14/74/348411474.db2.gz NVVZKSSVKOYOEL-QMMMGPOBSA-N 0 3 248.298 0.521 20 0 BCADHN CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)CN ZINC000595980993 348415893 /nfs/dbraw/zinc/41/58/93/348415893.db2.gz MMFBSPQTWMLNRT-KCJUWKMLSA-N 0 3 228.292 0.183 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC(=O)[C@H]2NCC2(C)C)C1 ZINC000595981259 348416897 /nfs/dbraw/zinc/41/68/97/348416897.db2.gz CGHYZPZTNLBGAW-IWSPIJDZSA-N 0 3 240.303 0.052 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N[C@]1(C)CC1(C)C ZINC000595984703 348418867 /nfs/dbraw/zinc/41/88/67/348418867.db2.gz ASGUSWFUPZNFNA-QPUJVOFHSA-N 0 3 242.319 0.572 20 0 BCADHN COC(=O)[C@@](C)(O)CN(C)CC1=CCSC1 ZINC000595890201 348390000 /nfs/dbraw/zinc/39/00/00/348390000.db2.gz ZSUHWGOFCQSXMM-NSHDSACASA-N 0 3 245.344 0.515 20 0 BCADHN COC(=O)[C@H]1CCCCN1C[C@H]1CNCCO1 ZINC000595889963 348390193 /nfs/dbraw/zinc/39/01/93/348390193.db2.gz ANOVIMRSMJOMFV-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN CCC[C@](C)(NC[C@H]1CNCCO1)C(=O)OC ZINC000595894210 348390856 /nfs/dbraw/zinc/39/08/56/348390856.db2.gz VNDYEPJPBJGARK-PWSUYJOCSA-N 0 3 244.335 0.296 20 0 BCADHN COC(=O)[C@H](C)NC(=O)C1(N)CC2(CCC2)C1 ZINC000595928313 348392288 /nfs/dbraw/zinc/39/22/88/348392288.db2.gz BTUIFFCCOVILIC-QMMMGPOBSA-N 0 3 240.303 0.326 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 ZINC000595989221 348420156 /nfs/dbraw/zinc/42/01/56/348420156.db2.gz IVJPENOWOVQHEE-AUTRQRHGSA-N 0 3 242.319 0.572 20 0 BCADHN COC(=O)[C@@H]1CCC[C@@H]1NCc1cnnn1C ZINC000595904134 348395248 /nfs/dbraw/zinc/39/52/48/348395248.db2.gz PSGGZUWNEIPJIM-ZJUUUORDSA-N 0 3 238.291 0.246 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N(C)C[C@H]1CC1(C)C ZINC000595909966 348397860 /nfs/dbraw/zinc/39/78/60/348397860.db2.gz AKKLZSOXWWGDSG-JGVFFNPUSA-N 0 3 227.308 0.548 20 0 BCADHN COC(=O)CNC(=O)CN(C)C[C@H]1CC1(C)C ZINC000595912121 348398905 /nfs/dbraw/zinc/39/89/05/348398905.db2.gz IUSVNNOOAZQBQG-SECBINFHSA-N 0 3 242.319 0.254 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NCC1=CCCC1 ZINC000595948008 348402827 /nfs/dbraw/zinc/40/28/27/348402827.db2.gz QBEFIVIARPJNIT-JTQLQIEISA-N 0 3 240.303 0.493 20 0 BCADHN CCCNC(=O)CN[C@@H]1C[C@H](C)O[C@H]1C ZINC000395063359 323186638 /nfs/dbraw/zinc/18/66/38/323186638.db2.gz PVIOAHWXULRJLR-LPEHRKFASA-N 0 3 214.309 0.668 20 0 BCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCC1CCCC1 ZINC000419375696 192129503 /nfs/dbraw/zinc/12/95/03/192129503.db2.gz RZCQMQUTBJXWRK-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN CCCC1(CNC(=O)C(=O)N[C@H](C)CN)CC1 ZINC000419415373 192131995 /nfs/dbraw/zinc/13/19/95/192131995.db2.gz MYOSLMHJKBYRNY-SECBINFHSA-N 0 3 241.335 0.146 20 0 BCADHN COC(=O)[C@H]1C[C@H](NC[C@@H](O)C(F)(F)F)C1 ZINC000596066439 348436995 /nfs/dbraw/zinc/43/69/95/348436995.db2.gz DEQAHIPHFUHLDO-FSDSQADBSA-N 0 3 241.209 0.451 20 0 BCADHN COCCCCN(C)C[C@](C)(O)C(C)=O ZINC000419381107 192133076 /nfs/dbraw/zinc/13/30/76/192133076.db2.gz GVCYQWSKZXTECQ-NSHDSACASA-N 0 3 217.309 0.685 20 0 BCADHN CNC(=O)NC(=O)CN1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419385401 192133606 /nfs/dbraw/zinc/13/36/06/192133606.db2.gz CEDOGFAEDMYOAC-DJLDLDEBSA-N 0 3 227.308 0.418 20 0 BCADHN CC(C)[C@H](C)CNC(=O)C(=O)N(C)[C@H](C)CN ZINC000419364756 192128136 /nfs/dbraw/zinc/12/81/36/192128136.db2.gz QEOYQHNXNBZBNZ-NXEZZACHSA-N 0 3 243.351 0.200 20 0 BCADHN CCCN(C)CC(=O)NCc1cc(C)n[nH]1 ZINC000603551921 349991373 /nfs/dbraw/zinc/99/13/73/349991373.db2.gz XMAPHPIBZHNRCJ-UHFFFAOYSA-N 0 3 224.308 0.676 20 0 BCADHN CCCN(C)CC(=O)NCc1cc(C)[nH]n1 ZINC000603551921 349991375 /nfs/dbraw/zinc/99/13/75/349991375.db2.gz XMAPHPIBZHNRCJ-UHFFFAOYSA-N 0 3 224.308 0.676 20 0 BCADHN CN(CCN)C(=O)C(=O)NCCC1CCCC1 ZINC000419562537 192142054 /nfs/dbraw/zinc/14/20/54/192142054.db2.gz LGUUSACMTUWYOD-UHFFFAOYSA-N 0 3 241.335 0.100 20 0 BCADHN CNS(=O)(=O)CCN(C)[C@@H](C)C(C)C ZINC000621245704 349997909 /nfs/dbraw/zinc/99/79/09/349997909.db2.gz SJVDXUISTIOQJW-VIFPVBQESA-N 0 3 222.354 0.512 20 0 BCADHN CC[C@H](NC(=O)C(=O)N[C@@H](C)CN)C(C)(C)C ZINC000419661122 192144222 /nfs/dbraw/zinc/14/42/22/192144222.db2.gz DCGPMHSDGWHAGD-IUCAKERBSA-N 0 3 243.351 0.391 20 0 BCADHN Cc1sccc1CN[C@H](CO)[C@@H](C)O ZINC000419795750 192144834 /nfs/dbraw/zinc/14/48/34/192144834.db2.gz LNNPZIRFIBWVSA-GMSGAONNSA-N 0 3 215.318 0.888 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)NCCC(C)(C)C ZINC000419735910 192145042 /nfs/dbraw/zinc/14/50/42/192145042.db2.gz GPTAADUZDOUALC-MRVPVSSYSA-N 0 3 229.324 0.002 20 0 BCADHN CCC[C@H](O)[C@@H](CO)NCc1cccnc1 ZINC000419824248 192145760 /nfs/dbraw/zinc/14/57/60/192145760.db2.gz PKFOEBFSVIVNCV-NEPJUHHUSA-N 0 3 224.304 0.693 20 0 BCADHN Cc1ccc(CNC(=O)C(=O)N[C@@H](C)CN)cc1 ZINC000419821482 192145902 /nfs/dbraw/zinc/14/59/02/192145902.db2.gz VVNJUXFWTNVNIO-JTQLQIEISA-N 0 3 249.314 0.075 20 0 BCADHN C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N(C)CCN ZINC000419814088 192146117 /nfs/dbraw/zinc/14/61/17/192146117.db2.gz OQDQHGCMLKPECT-ZJUUUORDSA-N 0 3 241.335 0.098 20 0 BCADHN CC[C@@H](C(=O)NCCN(C)CCOC)[C@H](C)O ZINC000419894031 192148076 /nfs/dbraw/zinc/14/80/76/192148076.db2.gz KYLMHLVNIVYPST-WDEREUQCSA-N 0 3 246.351 0.088 20 0 BCADHN C[C@H](NC1(C2CC2)CC1)C(=O)NC(N)=O ZINC000309016062 323190131 /nfs/dbraw/zinc/19/01/31/323190131.db2.gz UNWADHSQIUJGFE-LURJTMIESA-N 0 3 211.265 0.102 20 0 BCADHN CCN(CC)C(=O)C(=O)N[C@H](CN)CC(C)C ZINC000419961457 192149582 /nfs/dbraw/zinc/14/95/82/192149582.db2.gz SMMFKNJGMWZDAX-JTQLQIEISA-N 0 3 243.351 0.344 20 0 BCADHN C[C@@H]1C[C@@H]1CC(=O)NC[C@](C)(O)CCN(C)C ZINC000420003512 192152256 /nfs/dbraw/zinc/15/22/56/192152256.db2.gz VBZVRXBLEXRTFZ-NQBHXWOUSA-N 0 3 242.363 0.851 20 0 BCADHN CC1=C(C)CN(C(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000420008524 192152809 /nfs/dbraw/zinc/15/28/09/192152809.db2.gz BSSBXGNDYILRFK-JTQLQIEISA-N 0 3 239.319 0.019 20 0 BCADHN COC(=O)C1(CNCc2cnn3c2CCC3)CC1 ZINC000597085444 348656032 /nfs/dbraw/zinc/65/60/32/348656032.db2.gz HYECGFIDHFGAIL-UHFFFAOYSA-N 0 3 249.314 0.872 20 0 BCADHN C[C@H](CSCCF)N[C@H](C)C(N)=O ZINC000597118134 348663678 /nfs/dbraw/zinc/66/36/78/348663678.db2.gz KOGISJZSFJEYMB-RNFRBKRXSA-N 0 3 208.302 0.541 20 0 BCADHN CC[C@H]1C[C@@H](C)CN1C(=O)C(=O)N[C@@H](C)CN ZINC000420032340 192158076 /nfs/dbraw/zinc/15/80/76/192158076.db2.gz TYSHCJZNGGSKQM-UTLUCORTSA-N 0 3 241.335 0.097 20 0 BCADHN CCCCCNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420034901 192158166 /nfs/dbraw/zinc/15/81/66/192158166.db2.gz JUCNVVYLVHPHMN-JTQLQIEISA-N 0 3 241.335 0.146 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1CCCCC[C@@H]1C ZINC000420021906 192158407 /nfs/dbraw/zinc/15/84/07/192158407.db2.gz USJVTQHGKZCDIO-UWVGGRQHSA-N 0 3 241.335 0.241 20 0 BCADHN CCc1ccnc(CNC(=O)[C@H](CN)OC)c1 ZINC000516649366 348625031 /nfs/dbraw/zinc/62/50/31/348625031.db2.gz PXRSHYQCOCHHGG-NSHDSACASA-N 0 3 237.303 0.234 20 0 BCADHN C[C@@H](C(=O)NC[C@](C)(O)CCN(C)C)C1CC1 ZINC000420023498 192158428 /nfs/dbraw/zinc/15/84/28/192158428.db2.gz XTESVNQSUAGEHU-ZWNOBZJWSA-N 0 3 242.363 0.851 20 0 BCADHN C[C@@H](CN)NC(=O)C(=O)N1CCCC[C@@H](C)C1 ZINC000420027361 192158705 /nfs/dbraw/zinc/15/87/05/192158705.db2.gz KYERWYLREVDUFV-ZJUUUORDSA-N 0 3 241.335 0.098 20 0 BCADHN CC[C@@H](C(=O)NCC1(N(C)C)CC1)[C@@H](C)O ZINC000420158417 192164515 /nfs/dbraw/zinc/16/45/15/192164515.db2.gz HHHRNBMZQOCMQZ-NXEZZACHSA-N 0 3 228.336 0.604 20 0 BCADHN CCC[C@@H](C)N(C)CC(=O)N1CCOCC1 ZINC000048071117 348702698 /nfs/dbraw/zinc/70/26/98/348702698.db2.gz JHMNMQKZOKPSDS-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CN(C)CCNC(=O)[C@]1(C)CC1(F)F ZINC000421737069 192376436 /nfs/dbraw/zinc/37/64/36/192376436.db2.gz HNNKIVLXVPSJPJ-QMMMGPOBSA-N 0 3 206.236 0.710 20 0 BCADHN CN1CCN(C[C@H]2CCCC[C@H]2O)CC1 ZINC000053881745 348749545 /nfs/dbraw/zinc/74/95/45/348749545.db2.gz GUKCDXGJDXMTIF-VXGBXAGGSA-N 0 3 212.337 0.785 20 0 BCADHN CC[C@H](OC)C(=O)N(C)C[C@H]1CCCN1C ZINC000421704540 192375183 /nfs/dbraw/zinc/37/51/83/192375183.db2.gz OYDAXOPJQMNWDD-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN Cc1ccnc(NCCCN2CCN(C)CC2)n1 ZINC000208004547 348847202 /nfs/dbraw/zinc/84/72/02/348847202.db2.gz NZNMNAJHYWPAHC-UHFFFAOYSA-N 0 3 249.362 0.834 20 0 BCADHN CN[C@@H](C)C(=O)N(C)CCc1ccccn1 ZINC000054071823 348874717 /nfs/dbraw/zinc/87/47/17/348874717.db2.gz CFUCDJRFEKORAU-JTQLQIEISA-N 0 3 221.304 0.690 20 0 BCADHN CN[C@H](C)C(=O)N(C)CC(=O)Nc1ccccc1 ZINC000054075120 348877173 /nfs/dbraw/zinc/87/71/73/348877173.db2.gz MNYKSTUUHLZSSO-SNVBAGLBSA-N 0 3 249.314 0.691 20 0 BCADHN CCOC(=O)CN(C(=O)[C@H](C)NC)C1CC1 ZINC000054075542 348877995 /nfs/dbraw/zinc/87/79/95/348877995.db2.gz JLVGWWWTKACRKD-QMMMGPOBSA-N 0 3 228.292 0.148 20 0 BCADHN Cc1c[nH]nc1CN(C)CC1CN(C)C1 ZINC000668539153 538018174 /nfs/dbraw/zinc/01/81/74/538018174.db2.gz NHNBLHDJVSCPRH-UHFFFAOYSA-N 0 3 208.309 0.712 20 0 BCADHN NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000308867628 348979824 /nfs/dbraw/zinc/97/98/24/348979824.db2.gz GXAHJKKMPSARIU-SFGNSQDASA-N 0 3 210.277 0.019 20 0 BCADHN OC[C@@H](O)CNCc1cccc2n[nH]cc21 ZINC000623510223 362935420 /nfs/dbraw/zinc/93/54/20/362935420.db2.gz MFUUQVVGZIGHBR-VIFPVBQESA-N 0 3 221.260 0.006 20 0 BCADHN CN(CCNC(=O)[C@H]1CC12CC2)C1CC1 ZINC000421750183 192379397 /nfs/dbraw/zinc/37/93/97/192379397.db2.gz TVJRHUQZTQWHEY-SNVBAGLBSA-N 0 3 208.305 0.997 20 0 BCADHN COC(=O)C1CCC(NC(=O)[C@@H](C)N)CC1 ZINC000159157723 348961238 /nfs/dbraw/zinc/96/12/38/348961238.db2.gz IXALYSXLAYAVTL-AFPNSQJFSA-N 0 3 228.292 0.182 20 0 BCADHN CC[S@](=O)CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000598776593 349040874 /nfs/dbraw/zinc/04/08/74/349040874.db2.gz HKZRGRRDIGMTSP-HWPZZCPQSA-N 0 3 246.376 0.211 20 0 BCADHN CC(C)[C@H](O)CNC[C@](C)(O)C(F)(F)F ZINC000308896054 349055744 /nfs/dbraw/zinc/05/57/44/349055744.db2.gz IXJQRJWSPKCVNY-SFYZADRCSA-N 0 3 229.242 0.906 20 0 BCADHN COCCN(C)CCNC(=O)[C@H]1CC12CC2 ZINC000421763965 192380712 /nfs/dbraw/zinc/38/07/12/192380712.db2.gz SKMOAVHQSHTOLX-SNVBAGLBSA-N 0 3 226.320 0.481 20 0 BCADHN CC(C)C[C@H](N)C(=O)Nc1ccn(C)n1 ZINC000037471765 187416256 /nfs/dbraw/zinc/41/62/56/187416256.db2.gz ZLBDGGFEGXUPNA-QMMMGPOBSA-N 0 3 210.281 0.732 20 0 BCADHN COc1ccc([C@H](C)NC(=O)CN)cc1 ZINC000082594602 187431328 /nfs/dbraw/zinc/43/13/28/187431328.db2.gz CYBNRPREYFBXQB-QMMMGPOBSA-N 0 3 208.261 0.831 20 0 BCADHN CC[C@H](CSC)N(C)c1nc(N)nc(N)n1 ZINC000599062896 349086304 /nfs/dbraw/zinc/08/63/04/349086304.db2.gz RZXIOKDLACRNTE-ZCFIWIBFSA-N 0 3 242.352 0.275 20 0 BCADHN C[C@@](O)(CO)CNCc1cccc2n[nH]cc21 ZINC000623511773 362937679 /nfs/dbraw/zinc/93/76/79/362937679.db2.gz DMPWTIPXTKHLRP-LBPRGKRZSA-N 0 3 235.287 0.396 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCC[C@H]2CCOC2)C1 ZINC000563897352 323205649 /nfs/dbraw/zinc/20/56/49/323205649.db2.gz VVJCCPLRPTYFAJ-NEPJUHHUSA-N 0 3 240.347 0.871 20 0 BCADHN COC[C@@H](CO)NCc1ccnc(C)c1 ZINC000623511140 362937781 /nfs/dbraw/zinc/93/77/81/362937781.db2.gz ABUMEDAWVIYNAK-LLVKDONJSA-N 0 3 210.277 0.487 20 0 BCADHN C[C@@](O)(CNC[C@@H](O)C1CC1)C(F)(F)F ZINC000308906580 349058853 /nfs/dbraw/zinc/05/88/53/349058853.db2.gz LNEKFWBDIZIANW-HTQZYQBOSA-N 0 3 227.226 0.660 20 0 BCADHN CC(C)N(C)C(=O)[C@@H](C)N1CC[C@](C)(O)C1 ZINC000248345734 349124175 /nfs/dbraw/zinc/12/41/75/349124175.db2.gz NDBJJYWXWNBOQM-PWSUYJOCSA-N 0 3 228.336 0.698 20 0 BCADHN COC(=O)CCCCN1CCCC[C@@H]1C(N)=O ZINC000599261723 349133919 /nfs/dbraw/zinc/13/39/19/349133919.db2.gz UWOYCWMNTJCCFT-SNVBAGLBSA-N 0 3 242.319 0.670 20 0 BCADHN COC(=O)[C@H](C)CN(C)CCc1cn(C)nn1 ZINC000599263577 349134470 /nfs/dbraw/zinc/13/44/70/349134470.db2.gz JLEJGRFJAFPTNW-SECBINFHSA-N 0 3 240.307 0.099 20 0 BCADHN CNC(=O)CN(C)CCCCC(=O)OC ZINC000599267855 349135071 /nfs/dbraw/zinc/13/50/71/349135071.db2.gz RICKSABCFFYGBJ-UHFFFAOYSA-N 0 3 216.281 0.008 20 0 BCADHN CCOC(=O)C[C@H](O)CN1C[C@@H]2CCC[C@H]21 ZINC000599340582 349151910 /nfs/dbraw/zinc/15/19/10/349151910.db2.gz GJXADLZWPFBGKG-GARJFASQSA-N 0 3 227.304 0.785 20 0 BCADHN CCOC(=O)CCN(C)CCc1cn(C)nn1 ZINC000599278117 349138874 /nfs/dbraw/zinc/13/88/74/349138874.db2.gz AGMBJMSOHZNQKL-UHFFFAOYSA-N 0 3 240.307 0.243 20 0 BCADHN COCCCN(C)CCNC(=O)[C@H]1CC12CC2 ZINC000421777192 192385581 /nfs/dbraw/zinc/38/55/81/192385581.db2.gz XQUVHPXLMPIFOA-LLVKDONJSA-N 0 3 240.347 0.871 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)C[C@@H](O)C1CC1 ZINC000599307586 349143246 /nfs/dbraw/zinc/14/32/46/349143246.db2.gz VIPQUENAKPIQGA-WDEREUQCSA-N 0 3 245.319 0.003 20 0 BCADHN CC(C)[C@@H](CO)NC[C@](C)(O)C(F)(F)F ZINC000308950849 349180373 /nfs/dbraw/zinc/18/03/73/349180373.db2.gz XPYGZWLPOQXKHT-SFYZADRCSA-N 0 3 229.242 0.906 20 0 BCADHN CC(C)[C@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000251280033 349184437 /nfs/dbraw/zinc/18/44/37/349184437.db2.gz DFDMLUCTDCTVKX-WDEREUQCSA-N 0 3 227.352 0.380 20 0 BCADHN CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@H](C)NC ZINC000251872589 349192433 /nfs/dbraw/zinc/19/24/33/349192433.db2.gz UNLZDDLINLHMAM-LPEHRKFASA-N 0 3 214.309 0.620 20 0 BCADHN CCC[C@@H](C)C(=O)N1CCN(C)C[C@H]1CN ZINC000251391196 349186850 /nfs/dbraw/zinc/18/68/50/349186850.db2.gz YBHFVENNOITXJS-GHMZBOCLSA-N 0 3 227.352 0.524 20 0 BCADHN CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)OC ZINC000251728750 349186979 /nfs/dbraw/zinc/18/69/79/349186979.db2.gz FJQGBCKUPMYCMG-CIUDSAMLSA-N 0 3 230.308 0.298 20 0 BCADHN COC(=O)[C@](C)(O)CN1C[C@@H](C)S[C@H](C)C1 ZINC000251660049 349189372 /nfs/dbraw/zinc/18/93/72/349189372.db2.gz KRVZWJOXMWKBRT-FXPVBKGRSA-N 0 3 247.360 0.736 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CCC[C@]1(C)CO ZINC000599364515 349160845 /nfs/dbraw/zinc/16/08/45/349160845.db2.gz LABGPCOOTKOOGG-ZYHUDNBSSA-N 0 3 245.319 0.147 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)[C@H]1C[C@@H](OC)C1 ZINC000599415819 349166975 /nfs/dbraw/zinc/16/69/75/349166975.db2.gz RRJVEGCJWVYVPC-MXWKQRLJSA-N 0 3 245.319 0.410 20 0 BCADHN COCCNCCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000250182069 349167037 /nfs/dbraw/zinc/16/70/37/349167037.db2.gz WPBBNTALLMFSTJ-URLYPYJESA-N 0 3 226.320 0.385 20 0 BCADHN CC(=O)NCCN(C)[C@@H]1CCCC[C@H]1O ZINC000252941156 349215883 /nfs/dbraw/zinc/21/58/83/349215883.db2.gz ZTBNMOPCEFOBIF-GHMZBOCLSA-N 0 3 214.309 0.358 20 0 BCADHN COC(=O)[C@]1(OC)CCN([C@@H]2CCOC2)C1 ZINC000599559211 349216964 /nfs/dbraw/zinc/21/69/64/349216964.db2.gz UEKQEWCXANGGJQ-KOLCDFICSA-N 0 3 229.276 0.039 20 0 BCADHN COC(=O)[C@]1(OC)CCN(CCC[C@@H](C)O)C1 ZINC000599557995 349217141 /nfs/dbraw/zinc/21/71/41/349217141.db2.gz CTWFMDDFVUKSHY-PWSUYJOCSA-N 0 3 245.319 0.411 20 0 BCADHN CC1(C)C[C@@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC000333846208 538035932 /nfs/dbraw/zinc/03/59/32/538035932.db2.gz WGKPDENIKNFCCU-VIFPVBQESA-N 0 3 239.319 0.169 20 0 BCADHN CCC[C@@H](O)CN1CC[C@@](OC)(C(=O)OC)C1 ZINC000599559752 349218185 /nfs/dbraw/zinc/21/81/85/349218185.db2.gz YVCBSSVKXRXEKR-PWSUYJOCSA-N 0 3 245.319 0.411 20 0 BCADHN COC(=O)[C@]1(OC)CCN(C[C@@H](C)OC)C1 ZINC000599561896 349218261 /nfs/dbraw/zinc/21/82/61/349218261.db2.gz DFNGBXZWBIVSGV-KOLCDFICSA-N 0 3 231.292 0.285 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(CCSC)C1 ZINC000599568277 349219167 /nfs/dbraw/zinc/21/91/67/349219167.db2.gz ZIZQITDORNNZQB-SNVBAGLBSA-N 0 3 233.333 0.613 20 0 BCADHN COC(=O)[C@@]1(OC)CCN(C[C@@H]2CCCO2)C1 ZINC000599566645 349219610 /nfs/dbraw/zinc/21/96/10/349219610.db2.gz GWZUVBPWHKYYCE-CMPLNLGQSA-N 0 3 243.303 0.429 20 0 BCADHN COCCCN1CC[C@@](OC)(C(=O)OC)C1 ZINC000599565685 349219988 /nfs/dbraw/zinc/21/99/88/349219988.db2.gz VRDBZQIKIUKNQP-NSHDSACASA-N 0 3 231.292 0.287 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C1CC1)C1CC1 ZINC000599599600 349232246 /nfs/dbraw/zinc/23/22/46/349232246.db2.gz MUWJFLQZZVCTPC-LLVKDONJSA-N 0 3 227.304 0.927 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)C[C@H]1C[C@@H](O)C1 ZINC000599656536 349235109 /nfs/dbraw/zinc/23/51/09/349235109.db2.gz XISMDPIRYCSQSQ-OUAUKWLOSA-N 0 3 245.319 0.003 20 0 BCADHN CC[C@H](C)N1CCN(CCCO)CC1 ZINC000055068838 349201911 /nfs/dbraw/zinc/20/19/11/349201911.db2.gz JYKVGAMGENKSIM-NSHDSACASA-N 0 3 200.326 0.785 20 0 BCADHN COCCOC[C@H](C)NCc1cn[nH]c1 ZINC000308956783 349202583 /nfs/dbraw/zinc/20/25/83/349202583.db2.gz QWIOUXMNBSUSGV-VIFPVBQESA-N 0 3 213.281 0.551 20 0 BCADHN NC[C@@H]1CCCCN1C(=O)C(=O)c1ccc[nH]1 ZINC000623054898 349296589 /nfs/dbraw/zinc/29/65/89/349296589.db2.gz BHHPNPGLKZNKMP-VIFPVBQESA-N 0 3 235.287 0.537 20 0 BCADHN Cn1nnnc1N1CCCN(C(C)(C)C)CC1 ZINC000601514471 349296724 /nfs/dbraw/zinc/29/67/24/349296724.db2.gz SPSAELWDQQHGFS-UHFFFAOYSA-N 0 3 238.339 0.521 20 0 BCADHN CN(C(=O)c1ccn(C)n1)[C@H]1CCN(C2CC2)C1 ZINC000599867790 349264922 /nfs/dbraw/zinc/26/49/22/349264922.db2.gz LSWVPEIXQZZPLD-NSHDSACASA-N 0 3 248.330 0.729 20 0 BCADHN CC[C@@H](NCc1ccnc(OC)n1)[C@H](C)O ZINC000395226090 323221930 /nfs/dbraw/zinc/22/19/30/323221930.db2.gz OCMSRQZUDZZXRA-WCBMZHEXSA-N 0 3 225.292 0.734 20 0 BCADHN CNC(=O)CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000082945366 349344504 /nfs/dbraw/zinc/34/45/04/349344504.db2.gz OHWKBIJYVZJPLP-IEBDPFPHSA-N 0 3 226.320 0.526 20 0 BCADHN O=C(CN[C@@H]1CCCOC1)NCC1CC1 ZINC000071013372 490252673 /nfs/dbraw/zinc/25/26/73/490252673.db2.gz ALVAGEMTYVWMDR-SNVBAGLBSA-N 0 3 212.293 0.281 20 0 BCADHN CCO[C@@H]1C[C@@H]1N[C@H](C)CC(=O)N(C)C ZINC000309030734 349317277 /nfs/dbraw/zinc/31/72/77/349317277.db2.gz DNSBACQZXQKWPD-KXUCPTDWSA-N 0 3 214.309 0.620 20 0 BCADHN Cc1cnc(C(=O)N2C[C@@H](C)NC[C@H]2C)o1 ZINC000623059064 349382369 /nfs/dbraw/zinc/38/23/69/349382369.db2.gz PQIIBCHRLMUZFF-HTQZYQBOSA-N 0 3 223.276 0.805 20 0 BCADHN Cc1nnc(C(=O)N2C[C@@H](C)NC[C@H]2C)s1 ZINC000623059244 349383349 /nfs/dbraw/zinc/38/33/49/349383349.db2.gz UROPOYRMCCSOMS-RNFRBKRXSA-N 0 3 240.332 0.669 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC1(O)CCCCC1 ZINC000081907749 190994746 /nfs/dbraw/zinc/99/47/46/190994746.db2.gz YFZRVCJLMLLVRK-JTQLQIEISA-N 0 3 249.376 0.704 20 0 BCADHN COCCCN(C)CCNC(=O)N1CC=CC1 ZINC000636846606 350010018 /nfs/dbraw/zinc/01/00/18/350010018.db2.gz RHDZAALVSBTYIR-UHFFFAOYSA-N 0 3 241.335 0.536 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)NC2(C)COC2)CCN1C ZINC000636848619 350012345 /nfs/dbraw/zinc/01/23/45/350012345.db2.gz YUGPYTDPLCOVES-NXEZZACHSA-N 0 3 241.335 0.557 20 0 BCADHN C[C@@H](CO)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000091227466 191002986 /nfs/dbraw/zinc/00/29/86/191002986.db2.gz OAKYIACTSKDGEN-AEJSXWLSSA-N 0 3 241.335 0.292 20 0 BCADHN Cc1cnc(C(=O)N[C@@H](CN)C(F)(F)F)o1 ZINC000623069004 350025668 /nfs/dbraw/zinc/02/56/68/350025668.db2.gz RLXBLDIMEUMNGW-YFKPBYRVSA-N 0 3 237.181 0.602 20 0 BCADHN NC[C@@H](NC(=O)C(=O)c1ccc[nH]1)C(F)(F)F ZINC000623069189 350029649 /nfs/dbraw/zinc/02/96/49/350029649.db2.gz XYIFCVPMRDLFPX-ZCFIWIBFSA-N 0 3 249.192 0.203 20 0 BCADHN COCCN(C)CCNC(=O)N1CC=CC1 ZINC000636709154 349415511 /nfs/dbraw/zinc/41/55/11/349415511.db2.gz NWWYMSSXUJQADY-UHFFFAOYSA-N 0 3 227.308 0.146 20 0 BCADHN C[C@H](N[C@H]1CCCOC1)C(=O)N(C)C ZINC000071013396 350081516 /nfs/dbraw/zinc/08/15/16/350081516.db2.gz XAJNGYQIHVBWCY-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN C/C=C/CS(=O)(=O)C(C)C(=O)NC1CC1 ZINC000071968066 191004630 /nfs/dbraw/zinc/00/46/30/191004630.db2.gz WBPBZJOGFXDELW-MPJRPATESA-N 0 3 231.317 0.644 20 0 BCADHN Cc1cccnc1CNC[C@@H](O)Cn1cccn1 ZINC000071344014 350100146 /nfs/dbraw/zinc/10/01/46/350100146.db2.gz RMADKMOYKSBUFQ-GFCCVEGCSA-N 0 3 246.314 0.737 20 0 BCADHN Cc1nc(NCCN(C)C)cc2nncn21 ZINC000298277370 180017186 /nfs/dbraw/zinc/01/71/86/180017186.db2.gz PPQXXKPPVMVSFW-UHFFFAOYSA-N 0 3 220.280 0.406 20 0 BCADHN Cc1nc(NCCN2CCCC2)cc2nncn21 ZINC000298205229 180017982 /nfs/dbraw/zinc/01/79/82/180017982.db2.gz INSIRODMNQDIHE-UHFFFAOYSA-N 0 3 246.318 0.940 20 0 BCADHN Cc1[nH]c(=O)ccc1C(=O)N1CCCN(C)CC1 ZINC000122308417 180027602 /nfs/dbraw/zinc/02/76/02/180027602.db2.gz BUVASOCHKYNERG-UHFFFAOYSA-N 0 3 249.314 0.873 20 0 BCADHN C[C@H](O)CCN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132180030 191026652 /nfs/dbraw/zinc/02/66/52/191026652.db2.gz PZZWRLBVQSXFIO-DCAQKATOSA-N 0 3 249.376 0.703 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2ccn[nH]2)[C@H](C)CN1C ZINC000334145465 538056171 /nfs/dbraw/zinc/05/61/71/538056171.db2.gz LMXWTTSJIQYJRH-NXEZZACHSA-N 0 3 236.319 0.503 20 0 BCADHN C[C@H]1CN(C(=O)Cc2ccn[nH]2)[C@@H](C)CN1C ZINC000334145467 538056856 /nfs/dbraw/zinc/05/68/56/538056856.db2.gz LMXWTTSJIQYJRH-UWVGGRQHSA-N 0 3 236.319 0.503 20 0 BCADHN CSCC[C@@H](CO)NCc1cncn1C ZINC000133211141 191039018 /nfs/dbraw/zinc/03/90/18/191039018.db2.gz AGAAOENUTAINDU-VIFPVBQESA-N 0 3 229.349 0.624 20 0 BCADHN Cc1nc2n(n1)C[C@H](NCc1cncn1C)CC2 ZINC000328888279 180113853 /nfs/dbraw/zinc/11/38/53/180113853.db2.gz PKPMLAWWPATYTK-SNVBAGLBSA-N 0 3 246.318 0.425 20 0 BCADHN CC[C@@](C)(NC[C@@H]1CCCCO1)C(N)=O ZINC000133706087 191042793 /nfs/dbraw/zinc/04/27/93/191042793.db2.gz ABEFDYXHUSCZFD-GXSJLCMTSA-N 0 3 214.309 0.799 20 0 BCADHN CC[C@](C)(NC[C@@H]1CCCCO1)C(N)=O ZINC000133705895 191042854 /nfs/dbraw/zinc/04/28/54/191042854.db2.gz ABEFDYXHUSCZFD-ONGXEEELSA-N 0 3 214.309 0.799 20 0 BCADHN Cc1nc2ccccc2n1CCNC(=O)[C@H](C)N ZINC000040828696 180103404 /nfs/dbraw/zinc/10/34/04/180103404.db2.gz BQXXOLKOCCLYNI-VIFPVBQESA-N 0 3 246.314 0.808 20 0 BCADHN CC(=O)NCCCN1CCSCC1 ZINC000142826506 191050167 /nfs/dbraw/zinc/05/01/67/191050167.db2.gz PLDHJAVMXIBYDH-UHFFFAOYSA-N 0 3 202.323 0.561 20 0 BCADHN Cc1ncc(C(=O)NCCN2CCCC2)[nH]1 ZINC000339181959 180130008 /nfs/dbraw/zinc/13/00/08/180130008.db2.gz GWFNITBYEAORHG-UHFFFAOYSA-N 0 3 222.292 0.544 20 0 BCADHN Cc1ncc(C(=O)NC[C@@H]2C[C@H](F)CN2)s1 ZINC000366458741 180130596 /nfs/dbraw/zinc/13/05/96/180130596.db2.gz DXXSAELQVNGZME-YUMQZZPRSA-N 0 3 243.307 0.881 20 0 BCADHN CCN(CCCO)C(=O)[C@H]1CCCN1C1CC1 ZINC000426993294 191051797 /nfs/dbraw/zinc/05/17/97/191051797.db2.gz XFNGLRXJMQMKNR-GFCCVEGCSA-N 0 3 240.347 0.844 20 0 BCADHN CN(C)CCOCCNC(=O)NCC(C)(C)F ZINC000637079032 350175107 /nfs/dbraw/zinc/17/51/07/350175107.db2.gz RIYVNURWLIXLHZ-UHFFFAOYSA-N 0 3 249.330 0.612 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCC2(C1)CCOCC2 ZINC000095087965 191053931 /nfs/dbraw/zinc/05/39/31/191053931.db2.gz BJXFBPGLVXRVLL-NSHDSACASA-N 0 3 240.347 0.999 20 0 BCADHN Cc1[nH]cnc1CC(=O)NCCCn1cccn1 ZINC000346148867 180120206 /nfs/dbraw/zinc/12/02/06/180120206.db2.gz LMKIIPXQVMZOFS-UHFFFAOYSA-N 0 3 247.302 0.664 20 0 BCADHN CC(C)[C@@](C)(CO)NC(=O)C1CCN(C)CC1 ZINC000427376484 191061656 /nfs/dbraw/zinc/06/16/56/191061656.db2.gz SAJVGKJINLQASZ-CYBMUJFWSA-N 0 3 242.363 0.851 20 0 BCADHN Cc1nc(C(=O)N(CCN(C)C)C2CC2)c[nH]1 ZINC000356871125 180125669 /nfs/dbraw/zinc/12/56/69/180125669.db2.gz GTTPKEJHZVMMOB-UHFFFAOYSA-N 0 3 236.319 0.884 20 0 BCADHN Cc1ncc(CN[C@@H](C)CN(C)C)cn1 ZINC000309081497 180154258 /nfs/dbraw/zinc/15/42/58/180154258.db2.gz QECUDHFWOWLXMV-VIFPVBQESA-N 0 3 208.309 0.825 20 0 BCADHN Cc1ncc(CN[C@@H](C)CC(N)=O)s1 ZINC000129355636 180155290 /nfs/dbraw/zinc/15/52/90/180155290.db2.gz CNOJUPVKHGACHW-LURJTMIESA-N 0 3 213.306 0.805 20 0 BCADHN Cc1ncc(NC(=O)CNCC2CC2)cn1 ZINC000269212062 180166486 /nfs/dbraw/zinc/16/64/86/180166486.db2.gz DAAWOQNZXHNRBS-UHFFFAOYSA-N 0 3 220.276 0.723 20 0 BCADHN CC(C)[C@@H]1CCN(CC(=O)N2CCNC2=O)C1 ZINC000532647455 323286780 /nfs/dbraw/zinc/28/67/80/323286780.db2.gz FLQBPFMKINKVIN-SNVBAGLBSA-N 0 3 239.319 0.516 20 0 BCADHN Cc1ncc(S(=O)(=O)[N-][C@@H](C)C[NH3+])s1 ZINC000235142059 180171976 /nfs/dbraw/zinc/17/19/76/180171976.db2.gz KZSOHQMMCGQZPZ-YFKPBYRVSA-N 0 3 235.334 0.077 20 0 BCADHN Cc1ncc(CN2CC[C@](C)(C(N)=O)C2)cn1 ZINC000352402568 180146199 /nfs/dbraw/zinc/14/61/99/180146199.db2.gz ORUKSJWIEXXESH-LBPRGKRZSA-N 0 3 234.303 0.482 20 0 BCADHN COc1ccnc(C(=O)NC[C@H](C)N(C)C)c1 ZINC000604741320 350182736 /nfs/dbraw/zinc/18/27/36/350182736.db2.gz QEXLDNZMICUCBM-VIFPVBQESA-N 0 3 237.303 0.770 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N(C)CC(C)C ZINC000049442563 191071065 /nfs/dbraw/zinc/07/10/65/191071065.db2.gz NFCXLHFZLYVZDN-QMMMGPOBSA-N 0 3 215.297 0.418 20 0 BCADHN Cc1ncc(CNC[C@@H]2COCCO2)cn1 ZINC000309625957 180152813 /nfs/dbraw/zinc/15/28/13/180152813.db2.gz FTAYHJURKAGYCA-LLVKDONJSA-N 0 3 223.276 0.290 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)N[C@@H](C)CN(C)C)C1 ZINC000637147181 350220020 /nfs/dbraw/zinc/22/00/20/350220020.db2.gz FSGRPBXZAFTCBZ-GARJFASQSA-N 0 3 243.351 0.661 20 0 BCADHN O=C([C@H]1CCCN1C1CC1)N1CC(CO)C1 ZINC000427469044 191076606 /nfs/dbraw/zinc/07/66/06/191076606.db2.gz JSPPCBDCUPYEBK-LLVKDONJSA-N 0 3 224.304 0.064 20 0 BCADHN CC(C)NC(=O)NCCN(CCO)C(C)C ZINC000521431315 259411789 /nfs/dbraw/zinc/41/17/89/259411789.db2.gz PODWESWEAMCDDU-UHFFFAOYSA-N 0 3 231.340 0.397 20 0 BCADHN Cc1ncc2c(n1)CC[C@@H](NC(=O)C(C)(C)N)C2 ZINC000361797035 180178467 /nfs/dbraw/zinc/17/84/67/180178467.db2.gz GTJQPWQQNHVLLE-SNVBAGLBSA-N 0 3 248.330 0.496 20 0 BCADHN Cc1nccc(CN2C[C@H](C)[C@H](CO)C2)n1 ZINC000353210050 180185278 /nfs/dbraw/zinc/18/52/78/180185278.db2.gz OSPKBTUDNAPQIS-ONGXEEELSA-N 0 3 221.304 0.845 20 0 BCADHN Cc1nccc(CN2C[C@H](CO)[C@H](C)C2)n1 ZINC000353210049 180185428 /nfs/dbraw/zinc/18/54/28/180185428.db2.gz OSPKBTUDNAPQIS-MWLCHTKSSA-N 0 3 221.304 0.845 20 0 BCADHN Cc1nccc(CN2CC[C@H]([C@H](C)O)C2)n1 ZINC000352861202 180186569 /nfs/dbraw/zinc/18/65/69/180186569.db2.gz JOHLJIYXKPXZHE-ONGXEEELSA-N 0 3 221.304 0.988 20 0 BCADHN Cc1ncccc1CN1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000377651301 180220203 /nfs/dbraw/zinc/22/02/03/180220203.db2.gz JVUHULHMYFVFCN-QWHCGFSZSA-N 0 3 245.326 0.958 20 0 BCADHN COC(=O)CCNC(=O)CN(C)CC(C)C ZINC000068334795 350230066 /nfs/dbraw/zinc/23/00/66/350230066.db2.gz MXUBXBJBFKCIGC-UHFFFAOYSA-N 0 3 230.308 0.254 20 0 BCADHN Cc1nccn1CCCN(C)C(=O)[C@H](C)N ZINC000157867066 180234713 /nfs/dbraw/zinc/23/47/13/180234713.db2.gz SUKCCRGVARASHO-VIFPVBQESA-N 0 3 224.308 0.387 20 0 BCADHN Cc1nccn1CCCCNC1(C(N)=O)CC1 ZINC000353363757 180234799 /nfs/dbraw/zinc/23/47/99/180234799.db2.gz CJQZOGOVDWNJFK-UHFFFAOYSA-N 0 3 236.319 0.579 20 0 BCADHN Cc1nccn1CCCCNC(=O)[C@@H](C)N ZINC000340186383 180237446 /nfs/dbraw/zinc/23/74/46/180237446.db2.gz QVXIJTDRPRXORB-SECBINFHSA-N 0 3 224.308 0.435 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](CCOC)COC)N(C)C ZINC000427608403 191084159 /nfs/dbraw/zinc/08/41/59/191084159.db2.gz YKMDCONHWSGJOP-QWRGUYRKSA-N 0 3 246.351 0.494 20 0 BCADHN CC(C(=O)NCc1ccsc1)S(C)(=O)=O ZINC000049759318 350257461 /nfs/dbraw/zinc/25/74/61/350257461.db2.gz JXWXVAOPUVKEQJ-SSDOTTSWSA-N 0 3 247.341 0.797 20 0 BCADHN Cc1nccn1CCN(C)[C@@]1(CO)CCOC1 ZINC000329757221 180249980 /nfs/dbraw/zinc/24/99/80/180249980.db2.gz ZHBYNYSZHVXIQS-GFCCVEGCSA-N 0 3 239.319 0.275 20 0 BCADHN COCCCC(=O)NC[C@H](C)N(C)C ZINC000049678664 350250728 /nfs/dbraw/zinc/25/07/28/350250728.db2.gz FHEULUZHMDDLPJ-VIFPVBQESA-N 0 3 202.298 0.479 20 0 BCADHN Cc1nccn1CCCN1CCO[C@H](CO)C1 ZINC000270571075 180241564 /nfs/dbraw/zinc/24/15/64/180241564.db2.gz ASCDSVTTYFOULG-LBPRGKRZSA-N 0 3 239.319 0.275 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)C(C)(C)O)CCCN1C ZINC000427711928 191089171 /nfs/dbraw/zinc/08/91/71/191089171.db2.gz UYMJZPZJSQQYNV-BDAKNGLRSA-N 0 3 214.309 0.356 20 0 BCADHN Cc1nccn1CCCNCc1cnn(C)n1 ZINC000293585203 180243435 /nfs/dbraw/zinc/24/34/35/180243435.db2.gz NYCGXCGISBAMMN-UHFFFAOYSA-N 0 3 234.307 0.500 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)[C@H](N)CC(F)F)CO1 ZINC000402394799 350254745 /nfs/dbraw/zinc/25/47/45/350254745.db2.gz XLJBPLPTFBWBRV-DSYKOEDSSA-N 0 3 222.235 0.263 20 0 BCADHN COCCN1CC[C@H](N[C@@H](C)c2ncc[nH]2)C1 ZINC000285930871 538085691 /nfs/dbraw/zinc/08/56/91/538085691.db2.gz FEVQYLNZSDDIEH-QWRGUYRKSA-N 0 3 238.335 0.781 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](CO)[C@@H]1C ZINC000427824569 191092600 /nfs/dbraw/zinc/09/26/00/191092600.db2.gz HZFNMNJMTSKWFC-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN CNC(=O)CN(CCC(=O)OC)CC(C)C ZINC000050031811 350278807 /nfs/dbraw/zinc/27/88/07/350278807.db2.gz PMCMUXIRIOMTQC-UHFFFAOYSA-N 0 3 230.308 0.254 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@H]1CCCOC1 ZINC000038046170 350303335 /nfs/dbraw/zinc/30/33/35/350303335.db2.gz HXGNSINXZYCODE-ZJUUUORDSA-N 0 3 214.309 0.657 20 0 BCADHN Cc1ncncc1C(=O)NCCN(C)C ZINC000082303022 180293243 /nfs/dbraw/zinc/29/32/43/180293243.db2.gz AQKCKXDUAGSYMY-UHFFFAOYSA-N 0 3 208.265 0.076 20 0 BCADHN Cc1ncncc1C(=O)NC1(CN(C)C)CCC1 ZINC000281134063 180293569 /nfs/dbraw/zinc/29/35/69/180293569.db2.gz UKNKAVYUNALCPF-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN CCOC[C@H](O)CN(C)C[C@@H]1CCCCO1 ZINC000068950509 350312121 /nfs/dbraw/zinc/31/21/21/350312121.db2.gz IVPXOKAHAOUXJE-NEPJUHHUSA-N 0 3 231.336 0.885 20 0 BCADHN CCOCCCN[C@H]1CCCS(=O)(=O)C1 ZINC000068939467 350312761 /nfs/dbraw/zinc/31/27/61/350312761.db2.gz XORLRBVQAAOVHJ-JTQLQIEISA-N 0 3 235.349 0.580 20 0 BCADHN CCCCOCCN[C@H]1CCCS(=O)(=O)C1 ZINC000068940108 350314029 /nfs/dbraw/zinc/31/40/29/350314029.db2.gz FDLPOVHUWGELHU-NSHDSACASA-N 0 3 249.376 0.970 20 0 BCADHN C[C@@H](CCN(C)C)N[C@H]1CCCS(=O)(=O)C1 ZINC000068940224 350314081 /nfs/dbraw/zinc/31/40/81/350314081.db2.gz NIPQBSMCZWVERW-QWRGUYRKSA-N 0 3 248.392 0.493 20 0 BCADHN O=S1(=O)CCC[C@H](NCCc2ccco2)C1 ZINC000068939827 350314203 /nfs/dbraw/zinc/31/42/03/350314203.db2.gz GFYGDWAUJCTYFF-JTQLQIEISA-N 0 3 243.328 0.989 20 0 BCADHN NC[C@@H]1c2ccccc2CCN1CC(N)=O ZINC000068958833 350314524 /nfs/dbraw/zinc/31/45/24/350314524.db2.gz KWZCNGPLKBOTDM-LLVKDONJSA-N 0 3 219.288 0.030 20 0 BCADHN Cc1ncncc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000108903337 180295451 /nfs/dbraw/zinc/29/54/51/180295451.db2.gz ANYPFLJTMPKLCU-JTQLQIEISA-N 0 3 234.303 0.467 20 0 BCADHN COC(=O)CCCN(C)C(=O)[C@H](N)C(C)C ZINC000037813177 350289806 /nfs/dbraw/zinc/28/98/06/350289806.db2.gz VAKVNVGAGXALNK-SNVBAGLBSA-N 0 3 230.308 0.381 20 0 BCADHN CC[C@@H](N)C(=O)N(C)CCCC(=O)OC ZINC000037813221 350289974 /nfs/dbraw/zinc/28/99/74/350289974.db2.gz AYXBHKNLAPQCNA-MRVPVSSYSA-N 0 3 216.281 0.135 20 0 BCADHN CCO[C@H]1C[C@@H](NCC(=O)NC)C12CCC2 ZINC000083684744 350294473 /nfs/dbraw/zinc/29/44/73/350294473.db2.gz DPMPITIFLTVILW-ZJUUUORDSA-N 0 3 226.320 0.670 20 0 BCADHN Cc1ncsc1CN(C)C(=O)[C@@H](C)N ZINC000082632903 180312236 /nfs/dbraw/zinc/31/22/36/180312236.db2.gz HEDRSEKOUVFAPD-ZCFIWIBFSA-N 0 3 213.306 0.757 20 0 BCADHN CCOC(=O)C1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000050460157 350342942 /nfs/dbraw/zinc/34/29/42/350342942.db2.gz GKPZJVLKURSORO-ZJUUUORDSA-N 0 3 240.303 0.135 20 0 BCADHN CCOC[C@H](O)CN1CCN([C@@H](C)CC)CC1 ZINC000069277250 350352365 /nfs/dbraw/zinc/35/23/65/350352365.db2.gz PRRUDVKPSGLSOE-QWHCGFSZSA-N 0 3 244.379 0.800 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CC)COC ZINC000606536370 350358125 /nfs/dbraw/zinc/35/81/25/350358125.db2.gz ZIXUKYTWTQDVGL-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN CSCC[C@H](N)C(=O)NCC[C@H]1CCCO1 ZINC000040469101 350365838 /nfs/dbraw/zinc/36/58/38/350365838.db2.gz XPTVHWMYAJIDRH-ZJUUUORDSA-N 0 3 246.376 0.752 20 0 BCADHN Cc1ncsc1CCN(CCO)C[C@H](C)O ZINC000290005329 180307419 /nfs/dbraw/zinc/30/74/19/180307419.db2.gz ZIRLKSJSBOCDGR-VIFPVBQESA-N 0 3 244.360 0.669 20 0 BCADHN Cc1ncsc1CN1CC[C@@H](C(N)=O)C1 ZINC000157204083 180316487 /nfs/dbraw/zinc/31/64/87/180316487.db2.gz PSCPZCSKGRSWGR-MRVPVSSYSA-N 0 3 225.317 0.759 20 0 BCADHN CCOC1CCN(CCOCCO)CC1 ZINC000040689889 350395258 /nfs/dbraw/zinc/39/52/58/350395258.db2.gz JWLFADIGFKJQMM-UHFFFAOYSA-N 0 3 217.309 0.496 20 0 BCADHN C[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)C(C)(C)O ZINC000606650315 350403381 /nfs/dbraw/zinc/40/33/81/350403381.db2.gz IJZPDEOUUSRXHX-NXEZZACHSA-N 0 3 243.351 0.539 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@H](C)C[S@](C)=O ZINC000164302740 180342516 /nfs/dbraw/zinc/34/25/16/180342516.db2.gz BEMOFTGPIZROBF-VPTHRUTESA-N 0 3 243.376 0.894 20 0 BCADHN O=C1NCCC[C@@H]1NCc1cccc2n[nH]cc21 ZINC000623537808 362956471 /nfs/dbraw/zinc/95/64/71/362956471.db2.gz HYPHCDPMMWYTNB-LBPRGKRZSA-N 0 3 244.298 0.931 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(CC(=O)N2CCCCC2)C1 ZINC000162783204 350426664 /nfs/dbraw/zinc/42/66/64/350426664.db2.gz SFHMILFFDJZLKE-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN Cc1nn(C)c(C)c1CN[C@@H](C)C[S@@](C)=O ZINC000164302855 180339327 /nfs/dbraw/zinc/33/93/27/180339327.db2.gz BEMOFTGPIZROBF-PWJLMRLQSA-N 0 3 243.376 0.894 20 0 BCADHN Cc1nn(C)c2ncc(CN[C@H](C)CO)cc12 ZINC000107912346 180365747 /nfs/dbraw/zinc/36/57/47/180365747.db2.gz ZILLNDCPOQIOLC-MRVPVSSYSA-N 0 3 234.303 0.747 20 0 BCADHN Cc1nn(C)cc1CN[C@H](C)CC[S@](C)=O ZINC000160163917 180375870 /nfs/dbraw/zinc/37/58/70/180375870.db2.gz QMHZKDRMZBCVNR-JDNHERCYSA-N 0 3 243.376 0.975 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H](N)C(C)C ZINC000269049636 180378665 /nfs/dbraw/zinc/37/86/65/180378665.db2.gz QKBXCPDIRUAMKM-LDYMZIIASA-N 0 3 238.335 0.889 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC[C@]1(O)CCOC1 ZINC000181726926 180378943 /nfs/dbraw/zinc/37/89/43/180378943.db2.gz CSSXJCQPTACQSU-BXKDBHETSA-N 0 3 239.319 0.531 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NCC(C)(C)C(N)=O ZINC000183206564 180379820 /nfs/dbraw/zinc/37/98/20/180379820.db2.gz OFHMQFIVYXSEQB-MRVPVSSYSA-N 0 3 238.335 0.891 20 0 BCADHN C[C@@H](NC(=O)NCCN(C)C1CC1)C(C)(C)O ZINC000606686907 350485757 /nfs/dbraw/zinc/48/57/57/350485757.db2.gz DHTVIRBPFPHUDG-SECBINFHSA-N 0 3 243.351 0.539 20 0 BCADHN CCC(=O)NCCCN1CCN(C)CC1 ZINC000061524134 350516158 /nfs/dbraw/zinc/51/61/58/350516158.db2.gz VWYXVPCCQUWPRV-UHFFFAOYSA-N 0 3 213.325 0.150 20 0 BCADHN NS(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000059533528 350494973 /nfs/dbraw/zinc/49/49/73/350494973.db2.gz KPDKUJMKVCIKCE-UHFFFAOYSA-N 0 3 247.364 0.140 20 0 BCADHN CCOC(=O)CCN(C)C[C@H](O)COC(C)C ZINC000070069268 350498016 /nfs/dbraw/zinc/49/80/16/350498016.db2.gz JYIIORSWZCDEBI-NSHDSACASA-N 0 3 247.335 0.657 20 0 BCADHN Cc1cc(CN(C[C@H](C)O)[C@@H](C)CO)ccn1 ZINC000621285276 350504653 /nfs/dbraw/zinc/50/46/53/350504653.db2.gz SUKVCNVWVXLUKE-RYUDHWBXSA-N 0 3 238.331 0.954 20 0 BCADHN Cc1cc(CN(C[C@@H](C)O)[C@@H](C)CO)ccn1 ZINC000621285275 350505095 /nfs/dbraw/zinc/50/50/95/350505095.db2.gz SUKVCNVWVXLUKE-NWDGAFQWSA-N 0 3 238.331 0.954 20 0 BCADHN CC[C@@H](O)CCCNC(=O)C(C)(C)N ZINC000336764023 350505950 /nfs/dbraw/zinc/50/59/50/350505950.db2.gz PTDQLJNRADGLRQ-MRVPVSSYSA-N 0 3 202.298 0.391 20 0 BCADHN CO[C@H]1C[C@@H](C(N)=O)N(CC(C)(C)C)C1 ZINC000344025835 538095015 /nfs/dbraw/zinc/09/50/15/538095015.db2.gz GDTSURLWIXOKQE-IUCAKERBSA-N 0 3 214.309 0.607 20 0 BCADHN Cc1nnc(C(=O)NC2CCN(C)CC2)s1 ZINC000183327028 180398064 /nfs/dbraw/zinc/39/80/64/180398064.db2.gz KWVAMFODDUXPTM-UHFFFAOYSA-N 0 3 240.332 0.671 20 0 BCADHN COCCCNC(=O)C1(N)Cc2ccccc2C1 ZINC000163445336 350523199 /nfs/dbraw/zinc/52/31/99/350523199.db2.gz GQNZIHLZTMJUNT-UHFFFAOYSA-N 0 3 248.326 0.635 20 0 BCADHN CO[C@@H](C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000063114151 350572043 /nfs/dbraw/zinc/57/20/43/350572043.db2.gz HXCIFOKYSJIVCK-IUCAKERBSA-N 0 3 212.293 0.374 20 0 BCADHN COC[C@H](O)CNCc1c(C)nn(C)c1C ZINC000070589703 350545453 /nfs/dbraw/zinc/54/54/53/350545453.db2.gz FUAGMFALUFDFLQ-SNVBAGLBSA-N 0 3 227.308 0.134 20 0 BCADHN CC[C@@H](COC)NCC(=O)NCC1CC1 ZINC000070625598 350555750 /nfs/dbraw/zinc/55/57/50/350555750.db2.gz MCOVCCVAHBFIDI-JTQLQIEISA-N 0 3 214.309 0.527 20 0 BCADHN CC(C)OCC(=O)NCCN(C)C1CC1 ZINC000063827884 350577842 /nfs/dbraw/zinc/57/78/42/350577842.db2.gz BPTXXZGRMIXQOA-UHFFFAOYSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)NCCN(C)C ZINC000637456023 350590777 /nfs/dbraw/zinc/59/07/77/350590777.db2.gz CCHQJTVQUYZFDT-YTWAJWBKSA-N 0 3 243.351 0.659 20 0 BCADHN CN1CCCN(C(=O)c2coc(CN)c2)CC1 ZINC000444263557 191112629 /nfs/dbraw/zinc/11/26/29/191112629.db2.gz GWENDBMGTBHVAT-UHFFFAOYSA-N 0 3 237.303 0.516 20 0 BCADHN O=C(NCCCO)N[C@H]1CCN(CC2CC2)C1 ZINC000606704318 350600406 /nfs/dbraw/zinc/60/04/06/350600406.db2.gz VYGGNMIQTZEPGW-NSHDSACASA-N 0 3 241.335 0.152 20 0 BCADHN CCOC(=O)C[C@H](O)CN1C[C@H](O)C[C@H](C)C1 ZINC000401523856 490682497 /nfs/dbraw/zinc/68/24/97/490682497.db2.gz DOZWSHFKCQZYGY-AXFHLTTASA-N 0 3 245.319 0.003 20 0 BCADHN C/C=C\CNC(=O)N1CCCN(C)CC1 ZINC000637489065 350651648 /nfs/dbraw/zinc/65/16/48/350651648.db2.gz VGKPNFPULODDTJ-ARJAWSKDSA-N 0 3 211.309 0.910 20 0 BCADHN C[C@H](c1cnccn1)N1CC[C@H](CO)C1 ZINC000095089024 350655696 /nfs/dbraw/zinc/65/56/96/350655696.db2.gz WCZHPYJTPLXOKT-ZJUUUORDSA-N 0 3 207.277 0.852 20 0 BCADHN Cn1ccc(CNCCCn2cncn2)n1 ZINC000309534252 350707133 /nfs/dbraw/zinc/70/71/33/350707133.db2.gz WQSBJUWTEKRPEM-UHFFFAOYSA-N 0 3 220.280 0.192 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C(=O)NC[C@@H]1CCCN1C ZINC000637532731 350683328 /nfs/dbraw/zinc/68/33/28/350683328.db2.gz KNIUCKPBOJSYMZ-OUAUKWLOSA-N 0 3 241.335 0.245 20 0 BCADHN COC(=O)c1cnc(NC[C@@H](C)N(C)C)cn1 ZINC000234559839 350699612 /nfs/dbraw/zinc/69/96/12/350699612.db2.gz HJJFOQYHUVVPTF-MRVPVSSYSA-N 0 3 238.291 0.625 20 0 BCADHN CCCCS(=O)(=O)C(C)C(=O)NC1CC1 ZINC000339035947 350727927 /nfs/dbraw/zinc/72/79/27/350727927.db2.gz QKHRRFHKRXGKAG-QMMMGPOBSA-N 0 3 233.333 0.868 20 0 BCADHN Cc1ncccc1CNC[C@@H]1COCCN1C ZINC000623711768 362980735 /nfs/dbraw/zinc/98/07/35/362980735.db2.gz OEAOGXFHFKJTNN-CYBMUJFWSA-N 0 3 235.331 0.810 20 0 BCADHN CC(C)CN1CCN(CCC(=O)N(C)C)CC1 ZINC000339191075 350738940 /nfs/dbraw/zinc/73/89/40/350738940.db2.gz RYFKXFRXOYNXML-UHFFFAOYSA-N 0 3 241.379 0.738 20 0 BCADHN CCN(Cc1cnn(C)c1)C(=O)C(C)(C)N ZINC000236988634 350744524 /nfs/dbraw/zinc/74/45/24/350744524.db2.gz OFJKAACJDWIPOY-UHFFFAOYSA-N 0 3 224.308 0.506 20 0 BCADHN CNC(=O)CCCN1CCOCC2(CC2)C1 ZINC000563352605 350823291 /nfs/dbraw/zinc/82/32/91/350823291.db2.gz JPICSYOBYJAUEF-UHFFFAOYSA-N 0 3 226.320 0.625 20 0 BCADHN Cc1noc(CNC(=O)[C@H](C)NC2CC2)n1 ZINC000383017269 350847957 /nfs/dbraw/zinc/84/79/57/350847957.db2.gz CWEVQQCFXMTPLH-LURJTMIESA-N 0 3 224.264 0.135 20 0 BCADHN CC[C@H](O)CNC[C@H]1CCCCS1(=O)=O ZINC000577603479 366013441 /nfs/dbraw/zinc/01/34/41/366013441.db2.gz GFLYARLEFYUOJR-VHSXEESVSA-N 0 3 235.349 0.314 20 0 BCADHN CN(C)C1(CNc2ccc3nccnc3n2)CC1 ZINC000397865157 350979439 /nfs/dbraw/zinc/97/94/39/350979439.db2.gz QGCSCWRJPNWDBQ-UHFFFAOYSA-N 0 3 243.314 0.904 20 0 BCADHN O=C1CC[C@@H](CN2CCC3(CC2)OCCO3)N1 ZINC000302834125 350993947 /nfs/dbraw/zinc/99/39/47/350993947.db2.gz MYBOQYHCCUUVNI-JTQLQIEISA-N 0 3 240.303 0.104 20 0 BCADHN Cc1ocnc1CNC(=O)CNC1CC1 ZINC000398053047 350997412 /nfs/dbraw/zinc/99/74/12/350997412.db2.gz GOGQMQZWVCURAW-UHFFFAOYSA-N 0 3 209.249 0.351 20 0 BCADHN COC(=O)[C@H](NC[C@H]1CCCN1C)C(C)C ZINC000386462967 362994147 /nfs/dbraw/zinc/99/41/47/362994147.db2.gz SQPQQXSHRARAIY-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN COc1cccc([C@H]2CN(CCO)CCN2)c1 ZINC000616631884 351109702 /nfs/dbraw/zinc/10/97/02/351109702.db2.gz IBPKUNDGHHMJLX-CYBMUJFWSA-N 0 3 236.315 0.634 20 0 BCADHN C[C@H](CCC1CC1)NC(=O)CN1CCNCC1 ZINC000398099391 363005911 /nfs/dbraw/zinc/00/59/11/363005911.db2.gz RQJJUTGFLVWZIP-LLVKDONJSA-N 0 3 239.363 0.587 20 0 BCADHN C[C@H](NC(=O)C1(N)CCCCC1)C(=O)N(C)C ZINC000036135884 358460434 /nfs/dbraw/zinc/46/04/34/358460434.db2.gz JCXXGYQKEUUXSA-VIFPVBQESA-N 0 3 241.335 0.241 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2cnc(C3CC3)o2)C1 ZINC000628324368 351236615 /nfs/dbraw/zinc/23/66/15/351236615.db2.gz QQZPMISPZHJUBG-DTORHVGOSA-N 0 3 235.287 0.906 20 0 BCADHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)c(C)o1 ZINC000036285291 358461240 /nfs/dbraw/zinc/46/12/40/358461240.db2.gz OKFFYRLYSVCCTI-JTQLQIEISA-N 0 3 238.287 0.615 20 0 BCADHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1nc(N)nc(N)n1 ZINC000624001227 363022286 /nfs/dbraw/zinc/02/22/86/363022286.db2.gz ZQCOOPMCHLXMAU-HRDYMLBCSA-N 0 3 248.334 0.854 20 0 BCADHN C[C@@H]1CN(C)CCN1CCOC[C@@H]1CCCO1 ZINC000607358322 351333594 /nfs/dbraw/zinc/33/35/94/351333594.db2.gz NLHZWDCMSZEHBN-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN COCCN(CCO)CCOC[C@@H]1CCCO1 ZINC000607358903 351333746 /nfs/dbraw/zinc/33/37/46/351333746.db2.gz WIHFSZMZQRVYPV-LBPRGKRZSA-N 0 3 247.335 0.123 20 0 BCADHN CC1(C)C[C@@H]1N[C@H]1CCCS(=O)(=O)C1 ZINC000068940294 351297068 /nfs/dbraw/zinc/29/70/68/351297068.db2.gz VMGSJBQMEKRQMX-IUCAKERBSA-N 0 3 217.334 0.952 20 0 BCADHN O=C(NC1CC1)[C@H]1CNCCC1(F)F ZINC000306890520 351298675 /nfs/dbraw/zinc/29/86/75/351298675.db2.gz ZAXGXJUEAWXFOK-SSDOTTSWSA-N 0 3 204.220 0.510 20 0 BCADHN CCN1CCN(CCNc2nccc(C)n2)CC1 ZINC000265489157 351269544 /nfs/dbraw/zinc/26/95/44/351269544.db2.gz FVACNPDGEPIKAG-UHFFFAOYSA-N 0 3 249.362 0.834 20 0 BCADHN C[C@@H]1CCCCN1c1nc(N)nc(N)n1 ZINC000623792345 363022036 /nfs/dbraw/zinc/02/20/36/363022036.db2.gz OSRIXPRWUGUYMO-ZCFIWIBFSA-N 0 3 208.269 0.076 20 0 BCADHN CC(C)N(C)S(=O)(=O)CCCN(C)C ZINC000631643357 351385199 /nfs/dbraw/zinc/38/51/99/351385199.db2.gz KVBZGZCKKUJPJL-UHFFFAOYSA-N 0 3 222.354 0.608 20 0 BCADHN Cc1ccc(CNC[C@@](C)(O)CO)c(F)c1 ZINC000631126882 351385648 /nfs/dbraw/zinc/38/56/48/351385648.db2.gz VCHLNKMQSHLLOJ-GFCCVEGCSA-N 0 3 227.279 0.967 20 0 BCADHN 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202.298 0.262 20 0 BCADHN CCN[C@@H](C)C(=O)NC[C@@H](O)CC(C)(C)C ZINC000638006920 351883433 /nfs/dbraw/zinc/88/34/33/351883433.db2.gz MNSZADHBOTUSSZ-UWVGGRQHSA-N 0 3 230.352 0.898 20 0 BCADHN CCN[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000638003251 351882119 /nfs/dbraw/zinc/88/21/19/351882119.db2.gz ZQXBGIREJALFPD-LPEHRKFASA-N 0 3 212.293 0.374 20 0 BCADHN CCN[C@@H](C)C(=O)NCCc1c(C)noc1C ZINC000637986595 351862520 /nfs/dbraw/zinc/86/25/20/351862520.db2.gz ZXZSNJIMQDTODF-VIFPVBQESA-N 0 3 239.319 0.948 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@@H](C)NCC ZINC000637994069 351868376 /nfs/dbraw/zinc/86/83/76/351868376.db2.gz UUOGIOVDBUCNDF-BDAKNGLRSA-N 0 3 202.298 0.262 20 0 BCADHN C[C@H]1CCCN(Cc2cnc(N)nc2N)[C@H]1C ZINC000637992764 351870493 /nfs/dbraw/zinc/87/04/93/351870493.db2.gz HYLDNBMYTZEHTB-IUCAKERBSA-N 0 3 235.335 0.922 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000637999226 351876312 /nfs/dbraw/zinc/87/63/12/351876312.db2.gz LFDDKJYFWVLKRG-PSASIEDQSA-N 0 3 236.319 0.901 20 0 BCADHN CO[C@H](C)[C@@H](C)NC[C@H]1CCCS1(=O)=O ZINC000252732596 538101574 /nfs/dbraw/zinc/10/15/74/538101574.db2.gz VWGYUFHCWOEMLT-OPRDCNLKSA-N 0 3 235.349 0.577 20 0 BCADHN CCN[C@H](C)C(=O)N1CC[C@@H](COCC)C1 ZINC000638037623 351917409 /nfs/dbraw/zinc/91/74/09/351917409.db2.gz QSWFEKVDWCVDPL-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CC[C@@H](C)CN(CC)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638038128 351918575 /nfs/dbraw/zinc/91/85/75/351918575.db2.gz MRXWGGQQUIUSKZ-OUAUKWLOSA-N 0 3 228.336 0.997 20 0 BCADHN CCN[C@H](C)C(=O)Nc1c(C)ccn(C)c1=O ZINC000638042786 351921674 /nfs/dbraw/zinc/92/16/74/351921674.db2.gz UZILWVDKWKYIRN-SECBINFHSA-N 0 3 237.303 0.630 20 0 BCADHN CC(C)[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638040983 351922554 /nfs/dbraw/zinc/92/25/54/351922554.db2.gz HTEXVTCIRLMZJL-GARJFASQSA-N 0 3 226.320 0.607 20 0 BCADHN CCN[C@H](C)C(=O)N(C)CC(C)(C)OC ZINC000638044859 351923809 /nfs/dbraw/zinc/92/38/09/351923809.db2.gz NLDVHEDMMUAOHN-SECBINFHSA-N 0 3 216.325 0.868 20 0 BCADHN CO[C@@H]1CN[C@@](C)(C(=O)Nc2cccnc2)C1 ZINC000638046745 351925956 /nfs/dbraw/zinc/92/59/56/351925956.db2.gz FBVADARWLGUJAN-CMPLNLGQSA-N 0 3 235.287 0.787 20 0 BCADHN CO[C@H]1CN[C@](C)(C(=O)Nc2cccnc2)C1 ZINC000638046759 351926079 /nfs/dbraw/zinc/92/60/79/351926079.db2.gz FBVADARWLGUJAN-PWSUYJOCSA-N 0 3 235.287 0.787 20 0 BCADHN CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccncc2)C1 ZINC000638049281 351927061 /nfs/dbraw/zinc/92/70/61/351927061.db2.gz ZBBMTGFOUMJKAR-CMPLNLGQSA-N 0 3 235.287 0.209 20 0 BCADHN CCN1CCN(C[C@]2(OC)CCOC2)C[C@H]1C ZINC000638053494 351931210 /nfs/dbraw/zinc/93/12/10/351931210.db2.gz CDLBSEJGMZBVTN-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN Cc1ccc(CNC(=O)[C@@H]2OCC[C@@H]2N)cn1 ZINC000638067733 351938000 /nfs/dbraw/zinc/93/80/00/351938000.db2.gz FAVYEAHQZJWLPV-WDEREUQCSA-N 0 3 235.287 0.122 20 0 BCADHN CCC[C@H](CN(CCO)CCCO)OC ZINC000638070728 351942554 /nfs/dbraw/zinc/94/25/54/351942554.db2.gz VSFWYXHTQQVMNJ-LLVKDONJSA-N 0 3 219.325 0.478 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000638009779 351888277 /nfs/dbraw/zinc/88/82/77/351888277.db2.gz NWUVKQKASKUSOT-DBIOUOCHSA-N 0 3 240.347 0.914 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000134452499 187535536 /nfs/dbraw/zinc/53/55/36/187535536.db2.gz UPSUNHHOOMPBHI-IUCAKERBSA-N 0 3 243.351 0.389 20 0 BCADHN CCN[C@H](C)C(=O)NC[C@H](C)C[C@@H](C)O ZINC000638015237 351892537 /nfs/dbraw/zinc/89/25/37/351892537.db2.gz IRRGOGWVCIEALS-OPRDCNLKSA-N 0 3 216.325 0.508 20 0 BCADHN CCN[C@H](C)C(=O)NCCc1nccs1 ZINC000638074887 351945371 /nfs/dbraw/zinc/94/53/71/351945371.db2.gz BFVHKTAQWHVCCG-MRVPVSSYSA-N 0 3 227.333 0.800 20 0 BCADHN C[C@@H](C[C@@H]1CCOC1)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638017196 351895657 /nfs/dbraw/zinc/89/56/57/351895657.db2.gz AEWLMEABTYWSML-XWLWVQCSSA-N 0 3 242.319 0.034 20 0 BCADHN CNC(=O)CCN(C)Cc1c[nH]c2ncncc12 ZINC000638019474 351898365 /nfs/dbraw/zinc/89/83/65/351898365.db2.gz DOQANMLGEPTUIW-UHFFFAOYSA-N 0 3 247.302 0.477 20 0 BCADHN COCCN(CCO)Cc1ccc(=O)[nH]c1 ZINC000638022615 351898980 /nfs/dbraw/zinc/89/89/80/351898980.db2.gz UNADXZDTGAHNNS-UHFFFAOYSA-N 0 3 226.276 0.228 20 0 BCADHN CC[C@H](C)[C@H](CN(CCO)CCOC)OC ZINC000638022448 351901414 /nfs/dbraw/zinc/90/14/14/351901414.db2.gz RMUIWKYQHXWUIY-RYUDHWBXSA-N 0 3 233.352 0.988 20 0 BCADHN CCC[C@@H](CN1CCN(C[C@@H](C)O)CC1)OC ZINC000638027279 351905831 /nfs/dbraw/zinc/90/58/31/351905831.db2.gz SEEASXBOGRFWOE-OLZOCXBDSA-N 0 3 244.379 0.800 20 0 BCADHN O=C1CCN(CCC[C@H]2CCO2)CCN1 ZINC000638029967 351910742 /nfs/dbraw/zinc/91/07/42/351910742.db2.gz ALQZEDRXIILCJS-JTQLQIEISA-N 0 3 212.293 0.377 20 0 BCADHN C[C@@H](C[NH3+])CNC(=O)c1cc(F)c[n-]c1=O ZINC000638146036 352008087 /nfs/dbraw/zinc/00/80/87/352008087.db2.gz SPJINDXSVXYHHS-LURJTMIESA-N 0 3 227.239 0.251 20 0 BCADHN CCN[C@H](C)C(=O)NCCCCn1ccnc1 ZINC000638076527 351949959 /nfs/dbraw/zinc/94/99/59/351949959.db2.gz QSBVEUMBTYHZFL-LLVKDONJSA-N 0 3 238.335 0.778 20 0 BCADHN CCN[C@H](C)C(=O)N(CC)Cc1cnn(C)c1 ZINC000638081812 351955431 /nfs/dbraw/zinc/95/54/31/351955431.db2.gz CRZCLDQXONDTEG-SNVBAGLBSA-N 0 3 238.335 0.767 20 0 BCADHN C[C@@H]1CCN(Cc2cnc(N)nc2N)C[C@@H]1C ZINC000638094288 351973791 /nfs/dbraw/zinc/97/37/91/351973791.db2.gz ZNDTYRBKYSUFAQ-BDAKNGLRSA-N 0 3 235.335 0.780 20 0 BCADHN C[C@@H]1CC[C@H](C)CN1Cc1cnc(N)nc1N ZINC000638093764 351973952 /nfs/dbraw/zinc/97/39/52/351973952.db2.gz FHQYEDMNJVMAIQ-DTWKUNHWSA-N 0 3 235.335 0.922 20 0 BCADHN O=C(Nc1cnc2c(c1)CNCC2)[C@H]1C[C@@H](O)C1 ZINC000638151444 352012098 /nfs/dbraw/zinc/01/20/98/352012098.db2.gz JJBKRLVZCHGELG-DKTWLAJQSA-N 0 3 247.298 0.437 20 0 BCADHN CC(C)C[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC000074995386 351979218 /nfs/dbraw/zinc/97/92/18/351979218.db2.gz DRPMWHYMPZGSET-VIFPVBQESA-N 0 3 227.308 0.549 20 0 BCADHN CCC[C@H](CN1CC[C@@H](NC(N)=O)C1)OC ZINC000638179994 352043789 /nfs/dbraw/zinc/04/37/89/352043789.db2.gz GAFOVEHODPWTQN-NXEZZACHSA-N 0 3 229.324 0.544 20 0 BCADHN NCC(=O)N1CCOC[C@H]1c1ccccc1 ZINC000083886887 352046326 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/nfs/dbraw/zinc/02/47/69/352024769.db2.gz UXZXLRRKBOKXQB-YUMQZZPRSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1nc[nH]c1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000638160065 352024889 /nfs/dbraw/zinc/02/48/89/352024889.db2.gz UXZXLRRKBOKXQB-JGVFFNPUSA-N 0 3 222.292 0.541 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@@H](C)CN1 ZINC000638157859 352025584 /nfs/dbraw/zinc/02/55/84/352025584.db2.gz GFTOGTYYUCCOCE-UKKRHICBSA-N 0 3 248.330 0.722 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H](C)CN1 ZINC000638157859 352025587 /nfs/dbraw/zinc/02/55/87/352025587.db2.gz GFTOGTYYUCCOCE-UKKRHICBSA-N 0 3 248.330 0.722 20 0 BCADHN CCN[C@@H](C)C(=O)N(C)Cc1noc(C)n1 ZINC000638170231 352034611 /nfs/dbraw/zinc/03/46/11/352034611.db2.gz IGIZLMOJLPGVST-ZETCQYMHSA-N 0 3 226.280 0.334 20 0 BCADHN C[C@@H](CCC1CC1)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638306924 352136683 /nfs/dbraw/zinc/13/66/83/352136683.db2.gz QTLWOCLJXJROJV-INTQDDNPSA-N 0 3 226.320 0.798 20 0 BCADHN CCC(CC)NCc1cnc(N)nc1N ZINC000638285612 352122563 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/nfs/dbraw/zinc/13/72/03/352137203.db2.gz QSFRBEJIAFDVJH-SNVBAGLBSA-N 0 3 228.336 0.917 20 0 BCADHN CCN1CCN(CCn2ccnc2)[C@@H](C)C1 ZINC000286342379 352085615 /nfs/dbraw/zinc/08/56/15/352085615.db2.gz FDNQRWVJSHNZGC-LBPRGKRZSA-N 0 3 222.336 0.909 20 0 BCADHN CCN1CCN(Cc2cncn2C)[C@H](C)C1 ZINC000286386381 352087512 /nfs/dbraw/zinc/08/75/12/352087512.db2.gz GUPVTXJHGLTQMH-LLVKDONJSA-N 0 3 222.336 0.946 20 0 BCADHN CCN1CCN(Cc2ccnn2C)[C@H](C)C1 ZINC000286488438 352091748 /nfs/dbraw/zinc/09/17/48/352091748.db2.gz LSUASVHGFNFEHK-LLVKDONJSA-N 0 3 222.336 0.946 20 0 BCADHN O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc(=O)[n-]cn1 ZINC000638244164 352091933 /nfs/dbraw/zinc/09/19/33/352091933.db2.gz IIWCEFBQINWPMO-SECBINFHSA-N 0 3 248.286 0.054 20 0 BCADHN Cc1nc[nH]c1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000638247911 352093868 /nfs/dbraw/zinc/09/38/68/352093868.db2.gz LWBSTOPVSCSZLR-YUMQZZPRSA-N 0 3 226.255 0.148 20 0 BCADHN COC1(CC(=O)NC[C@@H]2C[C@H](F)CN2)CCC1 ZINC000638248915 352094614 /nfs/dbraw/zinc/09/46/14/352094614.db2.gz SKJFGPZBZQMWOM-UWVGGRQHSA-N 0 3 244.310 0.762 20 0 BCADHN COC1CC(C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000638249187 352095059 /nfs/dbraw/zinc/09/50/59/352095059.db2.gz VMGZQHPYAOTGBY-ZNHWEVIXSA-N 0 3 230.283 0.228 20 0 BCADHN C[C@@H](NC(=O)c1cc(F)c[n-]c1=O)[C@H](C)[NH3+] ZINC000638256122 352103046 /nfs/dbraw/zinc/10/30/46/352103046.db2.gz OCJLHOJENILPNW-NTSWFWBYSA-N 0 3 227.239 0.392 20 0 BCADHN O=C(Cc1nnc[n-]1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000638259852 352104160 /nfs/dbraw/zinc/10/41/60/352104160.db2.gz XNKCWDJVKKGNSX-UHFFFAOYSA-N 0 3 243.270 0.589 20 0 BCADHN CCN[C@@H](C)C(=O)N1CCCn2nccc21 ZINC000638276316 352114091 /nfs/dbraw/zinc/11/40/91/352114091.db2.gz MRCKIZPJXLRDNE-VIFPVBQESA-N 0 3 222.292 0.618 20 0 BCADHN Cc1cnccc1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638278852 352115713 /nfs/dbraw/zinc/11/57/13/352115713.db2.gz LIIAZDVWNIANRL-WDEREUQCSA-N 0 3 235.287 0.122 20 0 BCADHN CO[C@H](CNCC(=O)NC(C)C)[C@H]1CCOC1 ZINC000638279694 352115731 /nfs/dbraw/zinc/11/57/31/352115731.db2.gz QQINNDIJZKKROD-WDEREUQCSA-N 0 3 244.335 0.152 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@H]1C ZINC000638281703 352116737 /nfs/dbraw/zinc/11/67/37/352116737.db2.gz GRIXJGKMYBQQDW-CHWFTXMASA-N 0 3 226.320 0.607 20 0 BCADHN C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CC[C@@H]1C ZINC000638281705 352116797 /nfs/dbraw/zinc/11/67/97/352116797.db2.gz GRIXJGKMYBQQDW-XWLWVQCSSA-N 0 3 226.320 0.607 20 0 BCADHN Cc1nccn1C[C@H](C)CNCc1ncnn1C ZINC000638336122 352154276 /nfs/dbraw/zinc/15/42/76/352154276.db2.gz YWPMHHXDDCOSNQ-SNVBAGLBSA-N 0 3 248.334 0.746 20 0 BCADHN C[C@@H](COCC1CC1)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638392214 352197783 /nfs/dbraw/zinc/19/77/83/352197783.db2.gz WIODKLFYPGSPSO-INTQDDNPSA-N 0 3 242.319 0.034 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NCc1cn(C)nn1 ZINC000638392433 352197924 /nfs/dbraw/zinc/19/79/24/352197924.db2.gz YYFVVUWAROGQOQ-JTQLQIEISA-N 0 3 239.323 0.195 20 0 BCADHN C[C@@H]1C[C@@H]1CNCc1cnc(N)nc1N ZINC000638362675 352175460 /nfs/dbraw/zinc/17/54/60/352175460.db2.gz KHNRIRVIWIEDSI-RNFRBKRXSA-N 0 3 207.281 0.047 20 0 BCADHN C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000638369201 352181626 /nfs/dbraw/zinc/18/16/26/352181626.db2.gz FRBQIJFBRVUDKY-BQBZGAKWSA-N 0 3 241.266 0.782 20 0 BCADHN CCN1CCC(NC(=O)c2ncn(C)n2)CC1 ZINC000289393331 352183905 /nfs/dbraw/zinc/18/39/05/352183905.db2.gz MVEDVZADABALCZ-UHFFFAOYSA-N 0 3 237.307 0.029 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NC(C)(C)CC(N)=O ZINC000638381143 352191876 /nfs/dbraw/zinc/19/18/76/352191876.db2.gz IEMKHIBRIRBUMK-VIFPVBQESA-N 0 3 243.351 0.520 20 0 BCADHN CC[C@@H](NC(=O)[C@@H]1OCC[C@@H]1N)[C@H]1CCCO1 ZINC000638382760 352192329 /nfs/dbraw/zinc/19/23/29/352192329.db2.gz ZKBIKSHBVPDQOJ-LNFKQOIKSA-N 0 3 242.319 0.176 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1nc2cccnc2n1C ZINC000638319552 352142972 /nfs/dbraw/zinc/14/29/72/352142972.db2.gz YAHJSWMLQMMSHU-QMMMGPOBSA-N 0 3 247.302 0.905 20 0 BCADHN CC1(CCNC(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638324724 352146195 /nfs/dbraw/zinc/14/61/95/352146195.db2.gz VKOKIMOHWMXUPN-DTWKUNHWSA-N 0 3 212.293 0.409 20 0 BCADHN CCN[C@@H](C)C(=O)Nc1cn(C)nc1CC ZINC000638327472 352147055 /nfs/dbraw/zinc/14/70/55/352147055.db2.gz ZXZFXYVYQAKLBW-QMMMGPOBSA-N 0 3 224.308 0.919 20 0 BCADHN CC(C)CN(CC(N)=O)C[C@@H](O)C(C)C ZINC000340282109 352149919 /nfs/dbraw/zinc/14/99/19/352149919.db2.gz WNMSWFBJRHGHGK-SNVBAGLBSA-N 0 3 216.325 0.447 20 0 BCADHN C[C@@H](NC(=O)[C@@]1(F)CCNC1)c1cccnc1 ZINC000163783173 352237690 /nfs/dbraw/zinc/23/76/90/352237690.db2.gz YILADQJJRBYDBN-BXKDBHETSA-N 0 3 237.278 0.960 20 0 BCADHN Cc1ccnc(C(=O)N2CC[C@@H](F)[C@H](N)C2)n1 ZINC000638430993 352238528 /nfs/dbraw/zinc/23/85/28/352238528.db2.gz OFTVIMDJXSUTJH-RKDXNWHRSA-N 0 3 238.266 0.296 20 0 BCADHN CCN[C@H](C)C(=O)N(C)[C@H](C)c1nc(C)no1 ZINC000638397444 352201725 /nfs/dbraw/zinc/20/17/25/352201725.db2.gz KWUTXSVSOWNWBG-HTQZYQBOSA-N 0 3 240.307 0.895 20 0 BCADHN C[C@H](Cc1ccccn1)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638395741 352202472 /nfs/dbraw/zinc/20/24/72/352202472.db2.gz XKPLSHUGLVYHHP-ADEWGFFLSA-N 0 3 249.314 0.245 20 0 BCADHN COC1CC(CCNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638400019 352204436 /nfs/dbraw/zinc/20/44/36/352204436.db2.gz FVMIRVGSICAGLF-WFBLGPOFSA-N 0 3 242.319 0.034 20 0 BCADHN CCN[C@H](C)C(=O)N[C@@H](CO)C1CCC1 ZINC000638405350 352212144 /nfs/dbraw/zinc/21/21/44/352212144.db2.gz YERZSCJCXKSJFP-SCZZXKLOSA-N 0 3 214.309 0.262 20 0 BCADHN CCN[C@H](C)C(=O)NCCO[C@@H]1CC1(F)F ZINC000638407672 352213347 /nfs/dbraw/zinc/21/33/47/352213347.db2.gz HXUVGVFHPNBMTB-HTQZYQBOSA-N 0 3 236.262 0.525 20 0 BCADHN CC(C)CC[C@H](N)C(=O)NCCCCO ZINC000638407168 352215521 /nfs/dbraw/zinc/21/55/21/352215521.db2.gz NZMJYOXIXATJFK-JTQLQIEISA-N 0 3 216.325 0.639 20 0 BCADHN CC[C@@H](C)CCNC(=O)CN1CCNCC1 ZINC000638407095 352215884 /nfs/dbraw/zinc/21/58/84/352215884.db2.gz SLVSDHWFSMOADJ-LLVKDONJSA-N 0 3 227.352 0.444 20 0 BCADHN COC(=O)CCCC(=O)NC(C)(C)CN(C)C ZINC000411091601 191159205 /nfs/dbraw/zinc/15/92/05/191159205.db2.gz AFNSIIFULJZEAC-UHFFFAOYSA-N 0 3 244.335 0.786 20 0 BCADHN CC[C@@H](C(=O)N1CC2(C1)CCOCC2)N(C)C ZINC000613347923 363131136 /nfs/dbraw/zinc/13/11/36/363131136.db2.gz VSCGCCFIYGDXNY-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@]1(CNC(=O)CN2CCNCC2)CC1(F)F ZINC000638416679 352228960 /nfs/dbraw/zinc/22/89/60/352228960.db2.gz YPMBJIRLKJTNKC-JTQLQIEISA-N 0 3 247.289 0.053 20 0 BCADHN CCN[C@H](C)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000638420171 352230327 /nfs/dbraw/zinc/23/03/27/352230327.db2.gz RWGDCYGOOTUTSC-SCVCMEIPSA-N 0 3 226.320 0.479 20 0 BCADHN CCN[C@H](C)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000638425817 352233102 /nfs/dbraw/zinc/23/31/02/352233102.db2.gz RNMBFDFPRAGVFV-MXWKQRLJSA-N 0 3 226.320 0.479 20 0 BCADHN CC[C@@H](N)C(=O)NC1CCC(OC)CC1 ZINC000638446007 352255336 /nfs/dbraw/zinc/25/53/36/352255336.db2.gz SNOLIANXGQXHOQ-UDNWOFFPSA-N 0 3 214.309 0.798 20 0 BCADHN C[C@H](NC(=O)[C@@H](O)C1CC1)C1=CCN(C)CC1 ZINC000613375103 363150641 /nfs/dbraw/zinc/15/06/41/363150641.db2.gz LHPDQLGPJVDVRU-CABZTGNLSA-N 0 3 238.331 0.524 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NC(=O)C2(N)CCCCC2)C1 ZINC000638449255 352259585 /nfs/dbraw/zinc/25/95/85/352259585.db2.gz YEMRAIVAWNVBOG-DTORHVGOSA-N 0 3 239.319 0.028 20 0 BCADHN Cn1ccc(CNC[C@@H]2CC[C@@H](O)C2)n1 ZINC000236101503 180702155 /nfs/dbraw/zinc/70/21/55/180702155.db2.gz HDRPRWCLOHBELC-MWLCHTKSSA-N 0 3 209.293 0.671 20 0 BCADHN CN[C@@H](C)C(=O)N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000638452443 352263107 /nfs/dbraw/zinc/26/31/07/352263107.db2.gz ZPMOHNYMPUMHNG-UWVGGRQHSA-N 0 3 241.335 0.110 20 0 BCADHN NC1(C(=O)NCC[C@@H]2CCCOC2)CC1 ZINC000638457189 352267230 /nfs/dbraw/zinc/26/72/30/352267230.db2.gz MSPGHNNPXZQHIB-VIFPVBQESA-N 0 3 212.293 0.411 20 0 BCADHN CO[C@H](CN[C@H]1CCCNC1=O)C1CC1 ZINC000638457958 352268844 /nfs/dbraw/zinc/26/88/44/352268844.db2.gz ANFLAXXRWRQWRW-VHSXEESVSA-N 0 3 212.293 0.280 20 0 BCADHN CC[C@H](N)C(=O)NCC[C@@H]1CCCOC1 ZINC000638456649 352270582 /nfs/dbraw/zinc/27/05/82/352270582.db2.gz KQWQDKYJXAUBPC-UWVGGRQHSA-N 0 3 214.309 0.657 20 0 BCADHN CN[C@@H](C)C(=O)NCC[C@@H]1CCCOC1 ZINC000638456994 352271538 /nfs/dbraw/zinc/27/15/38/352271538.db2.gz LZJFMSJQOXRHDH-UWVGGRQHSA-N 0 3 214.309 0.527 20 0 BCADHN CCC[C@@H](CNC(=O)[C@@H](C)N)OCC ZINC000638459806 352272351 /nfs/dbraw/zinc/27/23/51/352272351.db2.gz ZXAXJKWMWVZSCR-BDAKNGLRSA-N 0 3 202.298 0.655 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000638461305 352274720 /nfs/dbraw/zinc/27/47/20/352274720.db2.gz JRKFAFXJLZXBKJ-GWCFXTLKSA-N 0 3 248.326 0.852 20 0 BCADHN CNCC(=O)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000638465047 352275529 /nfs/dbraw/zinc/27/55/29/352275529.db2.gz UJPDJGQDEHKJAR-OCAPTIKFSA-N 0 3 220.263 0.956 20 0 BCADHN [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc(=O)[n-]cn1)C2 ZINC000638442091 352251502 /nfs/dbraw/zinc/25/15/02/352251502.db2.gz OETYQGFPJCTMQG-QPUJVOFHSA-N 0 3 248.286 0.136 20 0 BCADHN Cc1cccc2c1C[C@@H](NC(=O)[C@@H](C)N)CO2 ZINC000638472585 352285696 /nfs/dbraw/zinc/28/56/96/352285696.db2.gz DYLYTHKRUSKMHS-NXEZZACHSA-N 0 3 234.299 0.762 20 0 BCADHN C[C@@H](Cc1cnccn1)N[C@H]1CC(=O)N(C)C1 ZINC000638478277 352286624 /nfs/dbraw/zinc/28/66/24/352286624.db2.gz ZWDALBSWIHSOAL-ONGXEEELSA-N 0 3 234.303 0.228 20 0 BCADHN O=C1CCC(=O)N1CCN1C2CCC1CC2 ZINC000613402788 363177363 /nfs/dbraw/zinc/17/73/63/363177363.db2.gz KBPNPNSZGVWBQZ-UHFFFAOYSA-N 0 3 222.288 0.762 20 0 BCADHN C[C@@H](Cc1cnccn1)N[C@@H]1CC(=O)N(C)C1 ZINC000638478274 352286779 /nfs/dbraw/zinc/28/67/79/352286779.db2.gz ZWDALBSWIHSOAL-GXSJLCMTSA-N 0 3 234.303 0.228 20 0 BCADHN CO[C@@H](CN[C@@H]1CC(=O)N(C)C1)CC(C)C ZINC000638478050 352286940 /nfs/dbraw/zinc/28/69/40/352286940.db2.gz WGGBZMFYKFUCRK-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H](Cc1cnccn1)N[C@H]1CC(=O)N(C)C1 ZINC000638478275 352286953 /nfs/dbraw/zinc/28/69/53/352286953.db2.gz ZWDALBSWIHSOAL-KOLCDFICSA-N 0 3 234.303 0.228 20 0 BCADHN Cc1cccc2c1C[C@@H](NC(=O)C1(N)CC1)CO2 ZINC000638475894 352287381 /nfs/dbraw/zinc/28/73/81/352287381.db2.gz NONFOTHRFBDLBS-SNVBAGLBSA-N 0 3 246.310 0.906 20 0 BCADHN CCN(CC)CC(=O)N1CCNC[C@H]1C(C)C ZINC000638489668 352300936 /nfs/dbraw/zinc/30/09/36/352300936.db2.gz NIBGPTFDSTVMHE-LBPRGKRZSA-N 0 3 241.379 0.785 20 0 BCADHN CC(C)[C@@H]1CNCCN1C(=O)[C@@H](C)N(C)C ZINC000638491632 352303122 /nfs/dbraw/zinc/30/31/22/352303122.db2.gz KYXHGABCUNWWJX-MNOVXSKESA-N 0 3 227.352 0.393 20 0 BCADHN CCN(C(=O)C(=O)NCCN)C1CCCCC1 ZINC000037243008 358471100 /nfs/dbraw/zinc/47/11/00/358471100.db2.gz AAKICQKKXSIQPA-UHFFFAOYSA-N 0 3 241.335 0.243 20 0 BCADHN Fc1cc(N2CCN3CC[C@H]2C3)ncn1 ZINC000307354531 352310770 /nfs/dbraw/zinc/31/07/70/352310770.db2.gz RKPMRIBSUDAHHN-QMMMGPOBSA-N 0 3 208.240 0.510 20 0 BCADHN CCOC(=O)[C@H](CC)C(=O)NC[C@H](C)N(C)C ZINC000411373123 191181548 /nfs/dbraw/zinc/18/15/48/191181548.db2.gz HBDUPNBILOJEDX-VHSXEESVSA-N 0 3 244.335 0.642 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC000044539354 352353198 /nfs/dbraw/zinc/35/31/98/352353198.db2.gz APENWRWYQKWNIZ-SNVBAGLBSA-N 0 3 249.314 0.447 20 0 BCADHN CCN(Cc1cn(C)nc1C)[C@H](C)CO ZINC000292863821 352331733 /nfs/dbraw/zinc/33/17/33/352331733.db2.gz VOHJROCIQFZGFL-SECBINFHSA-N 0 3 211.309 0.931 20 0 BCADHN NC1(C(=O)NC[C@H]2CCCN2CC(F)F)CC1 ZINC000638515984 352342937 /nfs/dbraw/zinc/34/29/37/352342937.db2.gz JHVLHUSYXIQIIQ-MRVPVSSYSA-N 0 3 247.289 0.323 20 0 BCADHN COC[C@@](C)(CC(=O)OC)NCCC(=O)OC ZINC000411383173 191180060 /nfs/dbraw/zinc/18/00/60/191180060.db2.gz CXDYJHHCKOLIIV-LLVKDONJSA-N 0 3 247.291 0.107 20 0 BCADHN COC[C@@](C)(CC(=O)OC)NCC[C@H](C)O ZINC000411395596 191181364 /nfs/dbraw/zinc/18/13/64/191181364.db2.gz WBZZFCCKDAUYFY-GXSJLCMTSA-N 0 3 233.308 0.315 20 0 BCADHN Nc1nc(N)nc(N2CC[C@H]2c2ccccc2)n1 ZINC000623874707 352363392 /nfs/dbraw/zinc/36/33/92/352363392.db2.gz OLQBHBLSTLDZNO-VIFPVBQESA-N 0 3 242.286 0.648 20 0 BCADHN CNC(=O)[C@@H](NCCc1ccccn1)C(C)C ZINC000411474561 191188058 /nfs/dbraw/zinc/18/80/58/191188058.db2.gz YDWBCVVWNPWPMS-LBPRGKRZSA-N 0 3 235.331 0.984 20 0 BCADHN CCNC(=O)CN[C@]1(C)CCO[C@H]1C1CC1 ZINC000411509900 191190278 /nfs/dbraw/zinc/19/02/78/191190278.db2.gz FGOOQVIEGCDZHP-NWDGAFQWSA-N 0 3 226.320 0.670 20 0 BCADHN C[NH2+]CCOCCNC(=O)c1ccccc1[O-] ZINC000638579928 352408858 /nfs/dbraw/zinc/40/88/58/352408858.db2.gz ZFRXOUSINDKDHY-UHFFFAOYSA-N 0 3 238.287 0.358 20 0 BCADHN C[C@@H]1CCC[C@H]1NCc1cnc(N)nc1N ZINC000638578763 352408909 /nfs/dbraw/zinc/40/89/09/352408909.db2.gz IMZFHCASJJCNEM-VXNVDRBHSA-N 0 3 221.308 0.580 20 0 BCADHN Cn1ncnc1CN[C@@H]1CCN(CC2CC2)C1 ZINC000638582724 352413349 /nfs/dbraw/zinc/41/33/49/352413349.db2.gz SUPXZLNLSSZNPU-LLVKDONJSA-N 0 3 235.335 0.389 20 0 BCADHN COC(=O)CCN(C)[C@@H](CO)COC(C)C ZINC000411638513 191201966 /nfs/dbraw/zinc/20/19/66/191201966.db2.gz RWMSIOLXMLWXKL-JTQLQIEISA-N 0 3 233.308 0.267 20 0 BCADHN CCNC(=O)CN(CC1CCC1)[C@@H](C)CO ZINC000411662727 191202619 /nfs/dbraw/zinc/20/26/19/191202619.db2.gz GIDKUQKYANABEP-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CCCN(C)CC(=O)N1CCNC(=O)C[C@H]1C ZINC000607919752 352432118 /nfs/dbraw/zinc/43/21/18/352432118.db2.gz WJEPXTCIJXFXMO-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN Cc1ncccc1CNC(=O)[C@@H](N)CC(F)F ZINC000638601087 352434665 /nfs/dbraw/zinc/43/46/65/352434665.db2.gz ISLIVMYMQUIYAB-VIFPVBQESA-N 0 3 243.257 0.989 20 0 BCADHN Cc1ncccc1CNC(=O)COC1(C)CNC1 ZINC000638601796 352436912 /nfs/dbraw/zinc/43/69/12/352436912.db2.gz QFCYVZUUGCXLQZ-UHFFFAOYSA-N 0 3 249.314 0.385 20 0 BCADHN C[C@H](CO)[C@H](C)NCC(=O)N1CCCC[C@H]1C ZINC000411537493 191194540 /nfs/dbraw/zinc/19/45/40/191194540.db2.gz VKUXOKQAXFMGHV-UTUOFQBUSA-N 0 3 242.363 0.994 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCCc1cncs1 ZINC000411818771 191212930 /nfs/dbraw/zinc/21/29/30/191212930.db2.gz LZGNOAQWIYRXFV-VHSXEESVSA-N 0 3 228.317 0.689 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1Cc2ccccc2NC1=O ZINC000638624886 352462766 /nfs/dbraw/zinc/46/27/66/352462766.db2.gz YLXVXJIPNWSYQY-JTQLQIEISA-N 0 3 247.298 0.403 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000638630198 352469175 /nfs/dbraw/zinc/46/91/75/352469175.db2.gz QVCRGRYVNFQVHS-LRPJSKTQSA-N 0 3 214.309 0.652 20 0 BCADHN CC[C@H](N)C(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000638630203 352469498 /nfs/dbraw/zinc/46/94/98/352469498.db2.gz QVCRGRYVNFQVHS-SVSWQMSJSA-N 0 3 214.309 0.652 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000638629363 352469719 /nfs/dbraw/zinc/46/97/19/352469719.db2.gz NDRXTQRGLZAVMF-MBGOZMDMSA-N 0 3 214.309 0.522 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000638632189 352473128 /nfs/dbraw/zinc/47/31/28/352473128.db2.gz YCZQRCXAXVOALR-XRBOHMRVSA-N 0 3 200.282 0.262 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000638632167 352473651 /nfs/dbraw/zinc/47/36/51/352473651.db2.gz YCZQRCXAXVOALR-OAHBRNHXSA-N 0 3 200.282 0.262 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000638632169 352473766 /nfs/dbraw/zinc/47/37/66/352473766.db2.gz YCZQRCXAXVOALR-PQFOHKHZSA-N 0 3 200.282 0.262 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000638632171 352473868 /nfs/dbraw/zinc/47/38/68/352473868.db2.gz YCZQRCXAXVOALR-QMGXLNLGSA-N 0 3 200.282 0.262 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000638631070 352473895 /nfs/dbraw/zinc/47/38/95/352473895.db2.gz UQJCMYLPTJBFHA-FBDQPXRJSA-N 0 3 228.336 0.898 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000638632176 352474044 /nfs/dbraw/zinc/47/40/44/352474044.db2.gz YCZQRCXAXVOALR-SYHAXYEDSA-N 0 3 200.282 0.262 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000638631077 352474118 /nfs/dbraw/zinc/47/41/18/352474118.db2.gz UQJCMYLPTJBFHA-RCZSTQMZSA-N 0 3 228.336 0.898 20 0 BCADHN COC(=O)CCN1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000411800494 191213492 /nfs/dbraw/zinc/21/34/92/191213492.db2.gz YEYOYZBDORLDDY-ZJUUUORDSA-N 0 3 240.303 0.245 20 0 BCADHN Cn1ccnc1CNCC(C)(C)CCO ZINC000080535755 180746263 /nfs/dbraw/zinc/74/62/63/180746263.db2.gz CWDMDAPJUUUHSE-UHFFFAOYSA-N 0 3 211.309 0.918 20 0 BCADHN C[C@@H](O)CCNCc1cc2c(cn1)OCCO2 ZINC000638636208 352476985 /nfs/dbraw/zinc/47/69/85/352476985.db2.gz RSWZMOVBXDAYJI-SECBINFHSA-N 0 3 238.287 0.713 20 0 BCADHN C[C@H]1CC[C@H](NC(=O)c2cc(=O)[n-]cn2)C[NH2+]1 ZINC000638640835 352482542 /nfs/dbraw/zinc/48/25/42/352482542.db2.gz RLTXNVDIBANEOE-YUMQZZPRSA-N 0 3 236.275 0.053 20 0 BCADHN CC(C)[C@@H](C)CNCc1cnc(N)nc1N ZINC000638658133 352498992 /nfs/dbraw/zinc/49/89/92/352498992.db2.gz STUIHJUPVWFELE-QMMMGPOBSA-N 0 3 223.324 0.683 20 0 BCADHN [NH3+]CCCOCCNC(=O)c1ccccc1[O-] ZINC000638663895 352507942 /nfs/dbraw/zinc/50/79/42/352507942.db2.gz UGNMALBVOQLDCO-UHFFFAOYSA-N 0 3 238.287 0.487 20 0 BCADHN CC(C)NCC(=O)N1CCO[C@@H](CCF)C1 ZINC000638683363 352519559 /nfs/dbraw/zinc/51/95/59/352519559.db2.gz GTOITGIBKXWVCU-JTQLQIEISA-N 0 3 232.299 0.571 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1CCO[C@H](CCF)C1 ZINC000638685500 352524492 /nfs/dbraw/zinc/52/44/92/352524492.db2.gz ZFKXRYRHTGGFNY-NXEZZACHSA-N 0 3 246.326 0.947 20 0 BCADHN CC[C@H](N)C(=O)N1CCO[C@@H](CCF)C1 ZINC000638685507 352524642 /nfs/dbraw/zinc/52/46/42/352524642.db2.gz ZHMJNOKYYKCDMA-IUCAKERBSA-N 0 3 218.272 0.311 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000638695001 352529796 /nfs/dbraw/zinc/52/97/96/352529796.db2.gz KEKAUXLAVUBQAJ-AEJSXWLSSA-N 0 3 212.293 0.407 20 0 BCADHN N[C@H](CC(F)F)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000638693814 352530578 /nfs/dbraw/zinc/53/05/78/352530578.db2.gz AAGVWXADTFOQJW-HLTSFMKQSA-N 0 3 248.273 0.653 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000638694879 352532923 /nfs/dbraw/zinc/53/29/23/352532923.db2.gz JMMGWUBSBISHQM-DTWKUNHWSA-N 0 3 212.293 0.407 20 0 BCADHN COC(=O)[C@@H](C)NC(=O)C1(N)CCCCC1 ZINC000042302434 352618035 /nfs/dbraw/zinc/61/80/35/352618035.db2.gz JGPONPXJIAOYQW-MRVPVSSYSA-N 0 3 228.292 0.326 20 0 BCADHN CC[C@H]1CO[C@H](C)CN1C(=O)[C@H](C)N ZINC000040456519 352597344 /nfs/dbraw/zinc/59/73/44/352597344.db2.gz QZTYWBBUVQPRQC-VGMNWLOBSA-N 0 3 200.282 0.360 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCNC(=O)C(C)C ZINC000040806766 352604836 /nfs/dbraw/zinc/60/48/36/352604836.db2.gz CAZIHTDVJSNQCZ-LBPRGKRZSA-N 0 3 243.351 0.392 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCNC(=O)C(C)C ZINC000040806638 352605062 /nfs/dbraw/zinc/60/50/62/352605062.db2.gz DUAGPHUPHZHJLE-NXEZZACHSA-N 0 3 243.351 0.248 20 0 BCADHN O=C(NCCCC1CC1)NC[C@H]1CNCCO1 ZINC000583489216 352568068 /nfs/dbraw/zinc/56/80/68/352568068.db2.gz DGKZXYYYWQYXBB-LLVKDONJSA-N 0 3 241.335 0.464 20 0 BCADHN CC1(C)CN[C@H]1C(=O)NC1(C(F)F)CC1 ZINC000638724279 352578737 /nfs/dbraw/zinc/57/87/37/352578737.db2.gz CFMJBJLZVXYTNH-LURJTMIESA-N 0 3 218.247 0.898 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCc1ccc[nH]c1=O ZINC000638725568 352578930 /nfs/dbraw/zinc/57/89/30/352578930.db2.gz IYZKNAPNABIWNG-JTQLQIEISA-N 0 3 237.303 0.777 20 0 BCADHN CC[C@@H](O)CN1CCCO[C@@H](CF)C1 ZINC000411853029 191219719 /nfs/dbraw/zinc/21/97/19/191219719.db2.gz IBLADQIJWMMQEY-ZJUUUORDSA-N 0 3 205.273 0.818 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc[nH]c1=O ZINC000638724961 352582023 /nfs/dbraw/zinc/58/20/23/352582023.db2.gz DHGAFKAOQAORBJ-WPRPVWTQSA-N 0 3 237.303 0.777 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NC1(C(F)F)CC1 ZINC000638726883 352585254 /nfs/dbraw/zinc/58/52/54/352585254.db2.gz WPEHGUBPKRQTOI-BYPYZUCNSA-N 0 3 228.189 0.883 20 0 BCADHN C[C@H]1CCN[C@H](C(=O)NCc2ccc[nH]c2=O)C1 ZINC000638726921 352585670 /nfs/dbraw/zinc/58/56/70/352585670.db2.gz YFZVSDUGRSYUEO-ONGXEEELSA-N 0 3 249.314 0.792 20 0 BCADHN C[C@@H]1CC[C@H](CNC2(C(=O)N(C)C)CC2)O1 ZINC000411914755 191226591 /nfs/dbraw/zinc/22/65/91/191226591.db2.gz QRXMMTWFPJFEFU-NXEZZACHSA-N 0 3 226.320 0.764 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCOCCOC ZINC000044727214 352655337 /nfs/dbraw/zinc/65/53/37/352655337.db2.gz ACZBPPHCKMDXOX-NSHDSACASA-N 0 3 232.324 0.283 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCCOCCOC ZINC000044727191 352655471 /nfs/dbraw/zinc/65/54/71/352655471.db2.gz IMVGPPBOARVTJS-ZJUUUORDSA-N 0 3 232.324 0.139 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCOCCOC ZINC000044727233 352655815 /nfs/dbraw/zinc/65/58/15/352655815.db2.gz IMVGPPBOARVTJS-NXEZZACHSA-N 0 3 232.324 0.139 20 0 BCADHN CC(C)CC[C@@H](O)CNC1(C(=O)N(C)C)CC1 ZINC000411915772 191226986 /nfs/dbraw/zinc/22/69/86/191226986.db2.gz TUAPRSJNYVKCPD-LLVKDONJSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](F)CN1CCN(C)C[C@H](C(=O)OC)C1 ZINC000411916414 191227610 /nfs/dbraw/zinc/22/76/10/191227610.db2.gz MMTXJGFIRZNZQV-QWRGUYRKSA-N 0 3 246.326 0.771 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCc1cc(C)no1 ZINC000045007101 352661210 /nfs/dbraw/zinc/66/12/10/352661210.db2.gz WJSPDMDKPDXGNJ-GMSGAONNSA-N 0 3 225.292 0.973 20 0 BCADHN CC[C@@H](F)CN1C[C@@H](O)C[C@H]1COC ZINC000411912045 191228592 /nfs/dbraw/zinc/22/85/92/191228592.db2.gz OOBLNWOUOUKBDT-UTLUCORTSA-N 0 3 205.273 0.816 20 0 BCADHN CC(C)C[C@@H](CO)NCc1cncn1C ZINC000082394428 187776318 /nfs/dbraw/zinc/77/63/18/187776318.db2.gz MNOGICZRZJZQRY-JTQLQIEISA-N 0 3 211.309 0.917 20 0 BCADHN COC[C@@H]1C[C@H](O)CN1CCC(=O)OC(C)C ZINC000411925957 191232142 /nfs/dbraw/zinc/23/21/42/191232142.db2.gz UJHHHRRQZITSSH-QWRGUYRKSA-N 0 3 245.319 0.410 20 0 BCADHN Cn1ncnc1CN[C@H]1CC[C@H](CO)CC1 ZINC000638758440 352693904 /nfs/dbraw/zinc/69/39/04/352693904.db2.gz BMYZTVJECBBFIR-MGCOHNPYSA-N 0 3 224.308 0.456 20 0 BCADHN COC1([C@H](C)NCC(=O)N(C)C)CCC1 ZINC000412016266 191237451 /nfs/dbraw/zinc/23/74/51/191237451.db2.gz BIGOREQHNCVPKC-VIFPVBQESA-N 0 3 214.309 0.622 20 0 BCADHN C[C@@H]1[C@H](N[C@H]2CSC[C@H]2C)CCS1(=O)=O ZINC000393630752 352709435 /nfs/dbraw/zinc/70/94/35/352709435.db2.gz JJMUVSCHRYHNQM-KYXWUPHJSA-N 0 3 249.401 0.903 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000155901764 187812999 /nfs/dbraw/zinc/81/29/99/187812999.db2.gz ANJCLTHQVXOBPU-SNVBAGLBSA-N 0 3 240.278 0.713 20 0 BCADHN Cn1ncnc1CN[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000638745450 352680598 /nfs/dbraw/zinc/68/05/98/352680598.db2.gz WXYXHMBIPSRTQU-HBNTYKKESA-N 0 3 236.319 0.862 20 0 BCADHN Cn1cncc1CNCCNC(=O)c1ccco1 ZINC000237928462 180785635 /nfs/dbraw/zinc/78/56/35/180785635.db2.gz VNXSHXQJBUEGGY-UHFFFAOYSA-N 0 3 248.286 0.533 20 0 BCADHN CC(=O)NCCCN(C)[C@@H]1CCOC1 ZINC000106936862 187820636 /nfs/dbraw/zinc/82/06/36/187820636.db2.gz UMBNLNKVMINMPC-SNVBAGLBSA-N 0 3 200.282 0.233 20 0 BCADHN C[C@H](N[C@H]1CC(=O)N(C)C1)[C@@H]1CCCCO1 ZINC000623882938 352723004 /nfs/dbraw/zinc/72/30/04/352723004.db2.gz NOGMWVQTVYYXOH-DCAQKATOSA-N 0 3 226.320 0.764 20 0 BCADHN CSCCCCNC(=O)CN1CCNCC1 ZINC000229266929 352732914 /nfs/dbraw/zinc/73/29/14/352732914.db2.gz RGDADAXAAUYSFG-UHFFFAOYSA-N 0 3 245.392 0.151 20 0 BCADHN Cn1cncc1CNCCc1cn[nH]c1 ZINC000308855500 180787539 /nfs/dbraw/zinc/78/75/39/180787539.db2.gz MSPWUEXQOMMPGO-UHFFFAOYSA-N 0 3 205.265 0.476 20 0 BCADHN C[C@@H]1C[C@H](O)CN(CCN2CCO[C@H](C)C2)C1 ZINC000412033820 191246439 /nfs/dbraw/zinc/24/64/39/191246439.db2.gz JKCTUXSHJQZCKU-UPJWGTAASA-N 0 3 242.363 0.410 20 0 BCADHN CC[C@@H](C(=O)N1CC2(C1)CCOC2)N(C)C ZINC000334177331 352763063 /nfs/dbraw/zinc/76/30/63/352763063.db2.gz ANCADMJDSLEVJI-JTQLQIEISA-N 0 3 226.320 0.576 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000334180140 352766849 /nfs/dbraw/zinc/76/68/49/352766849.db2.gz BTGWNFLXRFZRKV-VHSXEESVSA-N 0 3 245.282 0.857 20 0 BCADHN CN(C)S(=O)(=O)CCN1CCC2(CCC2)C1 ZINC000334215608 352814925 /nfs/dbraw/zinc/81/49/25/352814925.db2.gz UKILUCZTUUHFFO-UHFFFAOYSA-N 0 3 246.376 0.754 20 0 BCADHN C[C@H]1CC[C@]2(CCN(CC(=O)NC(N)=O)C2)C1 ZINC000334217732 352818930 /nfs/dbraw/zinc/81/89/30/352818930.db2.gz DDOPBFPNJHJOCS-CABZTGNLSA-N 0 3 239.319 0.693 20 0 BCADHN C[C@@H]1CC[C@@]2(CCN(CC(=O)NC(N)=O)C2)C1 ZINC000334217731 352819019 /nfs/dbraw/zinc/81/90/19/352819019.db2.gz DDOPBFPNJHJOCS-BXKDBHETSA-N 0 3 239.319 0.693 20 0 BCADHN C[C@H]1CC[C@H](C)N(CCS(=O)(=O)N(C)C)C1 ZINC000334190129 352780574 /nfs/dbraw/zinc/78/05/74/352780574.db2.gz HLCJALIFWUGRKT-QWRGUYRKSA-N 0 3 248.392 0.998 20 0 BCADHN CC(C(=O)N1CC[C@@](C)(F)C1)S(C)(=O)=O ZINC000334192201 352783463 /nfs/dbraw/zinc/78/34/63/352783463.db2.gz ISARDLKVUCKKKW-IONNQARKSA-N 0 3 237.296 0.380 20 0 BCADHN C[C@@H](O)CN1CCC[C@H](n2cccn2)C1 ZINC000334192845 352784074 /nfs/dbraw/zinc/78/40/74/352784074.db2.gz QUJWGMPYDSMQBN-MNOVXSKESA-N 0 3 209.293 0.901 20 0 BCADHN CO[C@]1(C)CCCN([C@@H]2CCCNC2=O)C1 ZINC000334194626 352786849 /nfs/dbraw/zinc/78/68/49/352786849.db2.gz VDHFBRSEHYPHLU-ZYHUDNBSSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)[C@H]1CN([C@@H]2CCN(C)C2=O)CCCO1 ZINC000334198073 352789946 /nfs/dbraw/zinc/78/99/46/352789946.db2.gz LIRLPFWBYWJPJK-VXGBXAGGSA-N 0 3 240.347 0.964 20 0 BCADHN COC(=O)[C@]1(C)CCCN([C@H]2COC[C@H]2O)C1 ZINC000412068558 191252066 /nfs/dbraw/zinc/25/20/66/191252066.db2.gz MTCVZMRVFRUKOI-HOSYDEDBSA-N 0 3 243.303 0.021 20 0 BCADHN COC(=O)[C@@H]1CSCCN(C[C@@H](C)OC)C1 ZINC000412078111 191253938 /nfs/dbraw/zinc/25/39/38/191253938.db2.gz OHWXGHPEUIZFQY-ZJUUUORDSA-N 0 3 247.360 0.859 20 0 BCADHN C[C@H]1[C@@H](CO)CCCN1CC(=O)N(C)C1CC1 ZINC000412079225 191253059 /nfs/dbraw/zinc/25/30/59/191253059.db2.gz LBNSCBOJOGKVPF-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@H]1CC[C@@H](C)N1CC(=O)NC(N)=O ZINC000334209403 352805980 /nfs/dbraw/zinc/80/59/80/352805980.db2.gz FRTNKJDKQOXSLL-SFYZADRCSA-N 0 3 213.281 0.444 20 0 BCADHN CC(=O)N(C)c1cccc(NC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000334211849 352809286 /nfs/dbraw/zinc/80/92/86/352809286.db2.gz QKPZCACHUJISRK-NEPJUHHUSA-N 0 3 247.298 0.955 20 0 BCADHN CC(C)N(C)C(=O)CN1CCC[C@@H](CO)[C@@H]1C ZINC000412090519 191257138 /nfs/dbraw/zinc/25/71/38/191257138.db2.gz QFKXFAWFVPVMMP-RYUDHWBXSA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)(C)N1CC[C@H](N[C@H]2CCOC2)C1=O ZINC000334246045 352836431 /nfs/dbraw/zinc/83/64/31/352836431.db2.gz HBEOQRVSFQTHCJ-UWVGGRQHSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H]1CN(C(=O)C2CCN(C)CC2)CCO1 ZINC000334248279 352840097 /nfs/dbraw/zinc/84/00/97/352840097.db2.gz PEQYHWNKEJZHQZ-JTQLQIEISA-N 0 3 226.320 0.576 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CCOc2cc(F)ccc21 ZINC000334248850 352841676 /nfs/dbraw/zinc/84/16/76/352841676.db2.gz RGQKMIFVIKEEJR-DTWKUNHWSA-N 0 3 236.246 0.898 20 0 BCADHN CSCCN1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000334227601 352844707 /nfs/dbraw/zinc/84/47/07/352844707.db2.gz AUMYIENSWSPCFA-QWRGUYRKSA-N 0 3 230.377 0.754 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CC(CCO)C1 ZINC000343047213 352934622 /nfs/dbraw/zinc/93/46/22/352934622.db2.gz NGUILCHPZRREID-LBPRGKRZSA-N 0 3 240.347 0.702 20 0 BCADHN CCn1cc(NC(=O)N[C@H](C)CN(C)C)cn1 ZINC000342913644 352916800 /nfs/dbraw/zinc/91/68/00/352916800.db2.gz UYIIVICDRZSLCN-SECBINFHSA-N 0 3 239.323 0.975 20 0 BCADHN CC[C@](C)(NC[C@@H](O)CCOC(C)C)C(N)=O ZINC000349884541 133924478 /nfs/dbraw/zinc/92/44/78/133924478.db2.gz QMJIRPAFXSRHKT-JQWIXIFHSA-N 0 3 246.351 0.406 20 0 BCADHN C[C@@H]1OCC[C@H]1NC(=O)C1CCN(C)CC1 ZINC000334287975 352926126 /nfs/dbraw/zinc/92/61/26/352926126.db2.gz YMKDSSWFMVYVOU-GXSJLCMTSA-N 0 3 226.320 0.622 20 0 BCADHN COCCCCCN1CC[C@@H](NC(N)=O)C1 ZINC000342873404 352885144 /nfs/dbraw/zinc/88/51/44/352885144.db2.gz ISCCYFBMTYYFHL-SNVBAGLBSA-N 0 3 229.324 0.546 20 0 BCADHN CCCCOCCN1CC[C@H](NC(N)=O)C1 ZINC000342876492 352885723 /nfs/dbraw/zinc/88/57/23/352885723.db2.gz QXFYKDQQRWNCNC-JTQLQIEISA-N 0 3 229.324 0.546 20 0 BCADHN Cc1ccc([O-])c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000091996230 538105776 /nfs/dbraw/zinc/10/57/76/538105776.db2.gz BLMXAJHMYQDFCR-GHMZBOCLSA-N 0 3 233.315 0.747 20 0 BCADHN C[C@@]1(F)CCN(CC2(O)CCOCC2)C1 ZINC000334254488 352892596 /nfs/dbraw/zinc/89/25/96/352892596.db2.gz DJHQYPOVRVHMBZ-SNVBAGLBSA-N 0 3 217.284 0.962 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343053144 352936361 /nfs/dbraw/zinc/93/63/61/352936361.db2.gz KWCROVHMDLGEHI-GHMZBOCLSA-N 0 3 225.336 0.291 20 0 BCADHN CCC(=O)N1CCO[C@H]2CCN(C)C[C@H]21 ZINC000334262367 352895763 /nfs/dbraw/zinc/89/57/63/352895763.db2.gz ZLTHSNIFMDDYER-ZJUUUORDSA-N 0 3 212.293 0.328 20 0 BCADHN NS(=O)(=O)[C@@H]1CCCN(CC2CCCC2)C1 ZINC000334264985 352899674 /nfs/dbraw/zinc/89/96/74/352899674.db2.gz LVIHIVBQTQGSTB-LLVKDONJSA-N 0 3 246.376 0.930 20 0 BCADHN O=C(N[C@@H]1CC[NH2+]C1)c1ccc2n[n-]nc2c1 ZINC000638802777 352971152 /nfs/dbraw/zinc/97/11/52/352971152.db2.gz WTTUWRQKOAIPRZ-MRVPVSSYSA-N 0 3 231.259 0.050 20 0 BCADHN C[C@H]1CN(C)CCN1Cc1ccc(C(N)=O)cc1 ZINC000334339597 352974776 /nfs/dbraw/zinc/97/47/76/352974776.db2.gz GQHYYUORXFCKJV-NSHDSACASA-N 0 3 247.342 0.921 20 0 BCADHN C[C@@H]1CN(C)CCN1Cc1ccc(C(N)=O)cc1 ZINC000334339595 352974893 /nfs/dbraw/zinc/97/48/93/352974893.db2.gz GQHYYUORXFCKJV-LLVKDONJSA-N 0 3 247.342 0.921 20 0 BCADHN CNCC(=O)N1CCOc2cc(F)ccc2C1 ZINC000638803342 352976827 /nfs/dbraw/zinc/97/68/27/352976827.db2.gz GIAQZVUQNXXYBC-UHFFFAOYSA-N 0 3 238.262 0.766 20 0 BCADHN COCCNCC(=O)NC[C@@H]1CCCC12CC2 ZINC000638805104 352979287 /nfs/dbraw/zinc/97/92/87/352979287.db2.gz DSJZBQJXCFDYGR-NSHDSACASA-N 0 3 240.347 0.919 20 0 BCADHN CO[C@H]1C[C@@H](CNC(=O)[C@H](N)C(C)C)C1 ZINC000638807320 352980920 /nfs/dbraw/zinc/98/09/20/352980920.db2.gz JOXVDGXHAUKOMY-KXUCPTDWSA-N 0 3 214.309 0.511 20 0 BCADHN CC(C)[C@@H](O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000334315243 352946330 /nfs/dbraw/zinc/94/63/30/352946330.db2.gz QLLMNJKBMXPYSB-GHMZBOCLSA-N 0 3 228.336 0.556 20 0 BCADHN O=C(CO)N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000334319450 352950530 /nfs/dbraw/zinc/95/05/30/352950530.db2.gz UFIVJUUZVRLOSY-GFCCVEGCSA-N 0 3 238.331 0.479 20 0 BCADHN CN(C)c1cncc(NC(=O)C(C)(C)N)c1 ZINC000638847043 353027191 /nfs/dbraw/zinc/02/71/91/353027191.db2.gz IIQXPPMVPYLTLH-UHFFFAOYSA-N 0 3 222.292 0.823 20 0 BCADHN N[C@@H]1CCO[C@@H]1C(=O)Nc1nc(C2CC2)c[nH]1 ZINC000638856190 353033089 /nfs/dbraw/zinc/03/30/89/353033089.db2.gz KPBOIHFFNLRJGL-APPZFPTMSA-N 0 3 236.275 0.342 20 0 BCADHN CC[C@](C)(CN[C@H](CO)c1cnn(C)c1)OC ZINC000638813976 352994836 /nfs/dbraw/zinc/99/48/36/352994836.db2.gz RAIOOFFCUQYIGW-VXGBXAGGSA-N 0 3 241.335 0.858 20 0 BCADHN Cc1nn(C)cc1CN(C)C(C)(C)CO ZINC000092507811 538107141 /nfs/dbraw/zinc/10/71/41/538107141.db2.gz UCWTYSMZDJNCPB-UHFFFAOYSA-N 0 3 211.309 0.931 20 0 BCADHN CNCC(=O)NCC[C@H]1CNc2ccccc21 ZINC000638863616 353038087 /nfs/dbraw/zinc/03/80/87/353038087.db2.gz APOWSNMFHSBTMF-JTQLQIEISA-N 0 3 233.315 0.921 20 0 BCADHN C[C@@H](Cc1cnccn1)NCC(=O)N(C)C ZINC000638865118 353039063 /nfs/dbraw/zinc/03/90/63/353039063.db2.gz HDAZKYLCGLNMIY-VIFPVBQESA-N 0 3 222.292 0.085 20 0 BCADHN CCC[C@@H](CN[C@@](C)(CO)COC)OC ZINC000638873721 353043873 /nfs/dbraw/zinc/04/38/73/353043873.db2.gz KNIFZKRRFCJFHF-QWRGUYRKSA-N 0 3 219.325 0.789 20 0 BCADHN COC[C@](C)(CO)NC[C@@H](OC)C1CC1 ZINC000638874511 353044491 /nfs/dbraw/zinc/04/44/91/353044491.db2.gz UNZIIIWKZNNYOB-MNOVXSKESA-N 0 3 217.309 0.398 20 0 BCADHN C1C[C@@H](NC2COCCOC2)CS1 ZINC000306999755 353048807 /nfs/dbraw/zinc/04/88/07/353048807.db2.gz BTBJQZRXLACDRA-MRVPVSSYSA-N 0 3 203.307 0.497 20 0 BCADHN Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c([O-])c1 ZINC000638917791 353081846 /nfs/dbraw/zinc/08/18/46/353081846.db2.gz UDFQUOOAHUHJIS-UWVGGRQHSA-N 0 3 232.283 0.887 20 0 BCADHN Cn1nccc1CN1CC[C@H](CC(N)=O)C1 ZINC000377583150 180840143 /nfs/dbraw/zinc/84/01/43/180840143.db2.gz LNHVEYAZNBVUMC-SECBINFHSA-N 0 3 222.292 0.117 20 0 BCADHN CC(C)C[C@H](C(N)=O)C(=O)N(C)CCN(C)C ZINC000412157182 191264119 /nfs/dbraw/zinc/26/41/19/191264119.db2.gz KNAJTNOPIZVHLG-SNVBAGLBSA-N 0 3 243.351 0.154 20 0 BCADHN C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(F)c[n-]c1=O ZINC000638931766 353093104 /nfs/dbraw/zinc/09/31/04/353093104.db2.gz RMUMICKPAHTVKH-SVRRBLITSA-N 0 3 239.250 0.488 20 0 BCADHN CCOCCN(C)C[C@]1(OC)CCOC1 ZINC000638935647 353099211 /nfs/dbraw/zinc/09/92/11/353099211.db2.gz AZHYAJUUWXEBAD-LLVKDONJSA-N 0 3 217.309 0.760 20 0 BCADHN NC(C(=O)NCCc1ccccn1)C(F)(F)F ZINC000353054511 188060002 /nfs/dbraw/zinc/06/00/02/188060002.db2.gz XTQQXIPATRAAMO-QMMMGPOBSA-N 0 3 247.220 0.630 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)C(N)C(F)(F)F ZINC000352910156 188060106 /nfs/dbraw/zinc/06/01/06/188060106.db2.gz FXAFZHPYWIDWMK-BQBZGAKWSA-N 0 3 242.241 0.399 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1noc(C2CC2)n1 ZINC000353730097 188061517 /nfs/dbraw/zinc/06/15/17/188061517.db2.gz PGVVJVKOURCIRZ-VIFPVBQESA-N 0 3 238.291 0.547 20 0 BCADHN CC(C)[C@H](O)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000354625872 188062567 /nfs/dbraw/zinc/06/25/67/188062567.db2.gz TXZRPBIGRLOOMH-VWYCJHECSA-N 0 3 228.336 0.602 20 0 BCADHN COCCN(CCOC)[C@@H]1CCO[C@H]1C ZINC000355755395 188064332 /nfs/dbraw/zinc/06/43/32/188064332.db2.gz HIIJDJPXSBFHJU-WDEREUQCSA-N 0 3 217.309 0.759 20 0 BCADHN COCCN(CCOC)[C@H]1CCO[C@@H]1C ZINC000355755392 188064526 /nfs/dbraw/zinc/06/45/26/188064526.db2.gz HIIJDJPXSBFHJU-MNOVXSKESA-N 0 3 217.309 0.759 20 0 BCADHN CC[C@@H](C(=O)N1CCNC[C@@H]1C)N(CC)CC ZINC000359437360 188068194 /nfs/dbraw/zinc/06/81/94/188068194.db2.gz YGCFLUFPPKGFGR-RYUDHWBXSA-N 0 3 241.379 0.927 20 0 BCADHN CC(C)=CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000360154259 188068940 /nfs/dbraw/zinc/06/89/40/188068940.db2.gz QALQQZIXMMEIRL-LBPRGKRZSA-N 0 3 237.347 0.459 20 0 BCADHN CC(C)=CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000360154258 188069503 /nfs/dbraw/zinc/06/95/03/188069503.db2.gz QALQQZIXMMEIRL-GFCCVEGCSA-N 0 3 237.347 0.459 20 0 BCADHN CC(C)[C@@H]1CN([C@@H]2COC[C@@H]2O)CCN1C ZINC000361396384 188070431 /nfs/dbraw/zinc/07/04/31/188070431.db2.gz TXRBDBSNVIGENN-TUAOUCFPSA-N 0 3 228.336 0.018 20 0 BCADHN CN(C)CCOCCNC(=O)NCCCCF ZINC000362074833 188072010 /nfs/dbraw/zinc/07/20/10/188072010.db2.gz FIQSUXFPTQEGCK-UHFFFAOYSA-N 0 3 249.330 0.614 20 0 BCADHN CC(C)(O)CN1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000372603453 188074950 /nfs/dbraw/zinc/07/49/50/188074950.db2.gz ZKLCUJMEEXEBRR-LLVKDONJSA-N 0 3 240.347 0.748 20 0 BCADHN CCCC[C@@H](N)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000037619571 358475761 /nfs/dbraw/zinc/47/57/61/358475761.db2.gz KDSUMGRRHJXUEQ-WDEREUQCSA-N 0 3 238.335 0.905 20 0 BCADHN CC(C)N(C)CC(=O)N(C)CC(C)(C)O ZINC000304669476 188076401 /nfs/dbraw/zinc/07/64/01/188076401.db2.gz WEIQNPHRFMSXAT-UHFFFAOYSA-N 0 3 216.325 0.556 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@H](O)C1)N(C)C ZINC000305087836 188077501 /nfs/dbraw/zinc/07/75/01/188077501.db2.gz VFAYATDCWWHBFT-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N(C)CCO ZINC000305680962 188077606 /nfs/dbraw/zinc/07/76/06/188077606.db2.gz KQYRNOUZLJNCIQ-SNVBAGLBSA-N 0 3 214.309 0.312 20 0 BCADHN O=C1C[C@]2(CCN(CCOCC(F)F)C2)CN1 ZINC000375927980 188077618 /nfs/dbraw/zinc/07/76/18/188077618.db2.gz PDIMMJNHJORCSY-LLVKDONJSA-N 0 3 248.273 0.480 20 0 BCADHN CC(C)(O)CCN1CCN2C(=O)CC[C@@H]2C1 ZINC000123507414 188084223 /nfs/dbraw/zinc/08/42/23/188084223.db2.gz LTJHXLKSCPBZSP-SNVBAGLBSA-N 0 3 226.320 0.454 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C ZINC000188486020 353172896 /nfs/dbraw/zinc/17/28/96/353172896.db2.gz UGFSMYWPGOYPHE-IVZWLZJFSA-N 0 3 214.309 0.620 20 0 BCADHN Cn1nncc1CN[C@@H]1CCCCC[C@H]1O ZINC000229604684 180869457 /nfs/dbraw/zinc/86/94/57/180869457.db2.gz KVVVYNCDFOUOTG-GHMZBOCLSA-N 0 3 224.308 0.598 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)CCNC(N)=O ZINC000330545131 353175124 /nfs/dbraw/zinc/17/51/24/353175124.db2.gz OYQMQJUOFKZSKY-VIFPVBQESA-N 0 3 242.323 0.059 20 0 BCADHN CNC(=O)CCNCc1cnn(CC(F)F)c1 ZINC000292943191 188096597 /nfs/dbraw/zinc/09/65/97/188096597.db2.gz IWPYJGVNPPTAMZ-UHFFFAOYSA-N 0 3 246.261 0.374 20 0 BCADHN Cn1nncc1CN[C@H](CO)Cc1ccccc1 ZINC000122013257 180871321 /nfs/dbraw/zinc/87/13/21/180871321.db2.gz JJWWJSGBEONCGY-LBPRGKRZSA-N 0 3 246.314 0.508 20 0 BCADHN CC[C@H](O)[C@@H]1CCCCN1CC(=O)NC1CC1 ZINC000078724625 188087557 /nfs/dbraw/zinc/08/75/57/188087557.db2.gz LTPUOTBVJKLSMQ-RYUDHWBXSA-N 0 3 240.347 0.890 20 0 BCADHN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N)c1 ZINC000019519229 188108113 /nfs/dbraw/zinc/10/81/13/188108113.db2.gz GNXTXCCUWLPMFA-SSDOTTSWSA-N 0 3 221.260 0.931 20 0 BCADHN COCCN1CCC[C@H](NC(=O)NC(C)C)C1 ZINC000398853403 353179542 /nfs/dbraw/zinc/17/95/42/353179542.db2.gz SIBZJJJAVWIHQE-NSHDSACASA-N 0 3 243.351 0.805 20 0 BCADHN CCN(C)C(=O)[C@H](C)N[C@H]1CCOC1 ZINC000188503303 353181324 /nfs/dbraw/zinc/18/13/24/353181324.db2.gz HXSPLPQJENONLA-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H](C)Cn1cccn1 ZINC000036999157 188113237 /nfs/dbraw/zinc/11/32/37/188113237.db2.gz BDYNBHVTDICAHK-ZJUUUORDSA-N 0 3 224.308 0.371 20 0 BCADHN CC(C)(N)C(=O)NCCc1ccccn1 ZINC000040920346 188117735 /nfs/dbraw/zinc/11/77/35/188117735.db2.gz UIFRHCVZHGBWKX-UHFFFAOYSA-N 0 3 207.277 0.478 20 0 BCADHN CC(C)(N)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000040920144 188117956 /nfs/dbraw/zinc/11/79/56/188117956.db2.gz BLHSKMHYVJCUKU-UHFFFAOYSA-N 0 3 221.260 0.461 20 0 BCADHN Cc1sccc1NC(=O)CN1CCNCC1 ZINC000638982957 353201115 /nfs/dbraw/zinc/20/11/15/353201115.db2.gz XLWZQMZLEVWZKC-UHFFFAOYSA-N 0 3 239.344 0.900 20 0 BCADHN CCN1CCCC[C@@H]1CNC(=O)CC(N)=O ZINC000330959771 353204805 /nfs/dbraw/zinc/20/48/05/353204805.db2.gz IYKTXELCAMFRQU-SECBINFHSA-N 0 3 227.308 0.902 20 0 BCADHN CC(C)(N)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000077365793 188135368 /nfs/dbraw/zinc/13/53/68/188135368.db2.gz VSFUSFPXOZAJLD-UHFFFAOYSA-N 0 3 233.271 0.857 20 0 BCADHN CC(C)(O)CNCc1ccc(C(N)=O)cc1 ZINC000082687412 188139200 /nfs/dbraw/zinc/13/92/00/188139200.db2.gz GOVBGZCHWGUGEM-UHFFFAOYSA-N 0 3 222.288 0.646 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H](C)N(C)C ZINC000126025246 188140128 /nfs/dbraw/zinc/14/01/28/188140128.db2.gz STYCSWVQAFKYCY-SECBINFHSA-N 0 3 210.325 0.768 20 0 BCADHN COc1ccc(O[C@H](C)CNC(=O)CN)cc1 ZINC000083365715 188141322 /nfs/dbraw/zinc/14/13/22/188141322.db2.gz GNZBHDQJSSJXBQ-SECBINFHSA-N 0 3 238.287 0.537 20 0 BCADHN Cc1ccc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)nn1 ZINC000412241532 191270067 /nfs/dbraw/zinc/27/00/67/191270067.db2.gz HYTSNXJPTNUIBT-GHMZBOCLSA-N 0 3 248.330 0.998 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1CCC(CO)CC1 ZINC000304519715 188151665 /nfs/dbraw/zinc/15/16/65/188151665.db2.gz XCEJENBLLLGUSH-NSHDSACASA-N 0 3 242.363 0.946 20 0 BCADHN CC(C)(N)C(=O)NCC[C@@H](O)c1ccccc1 ZINC000161945156 188159249 /nfs/dbraw/zinc/15/92/49/188159249.db2.gz FFVKFEGFSCKPAE-LLVKDONJSA-N 0 3 236.315 0.964 20 0 BCADHN CC(C)CC[C@H](O)CN1CC[C@@H](NC(N)=O)C1 ZINC000331117370 353220267 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188203891 /nfs/dbraw/zinc/20/38/91/188203891.db2.gz DEFAKMUUUKYZLW-JTQLQIEISA-N 0 3 232.291 0.753 20 0 BCADHN O=C(Nc1ccnn1CC1CCC1)[C@H]1CCN1 ZINC000639006750 353261478 /nfs/dbraw/zinc/26/14/78/353261478.db2.gz ZAEWAIBTZGYKEU-SNVBAGLBSA-N 0 3 234.303 0.984 20 0 BCADHN CO[C@@H](C)CN(C)CCc1ccnn1C ZINC000285848062 188208017 /nfs/dbraw/zinc/20/80/17/188208017.db2.gz WVWRSUQWGWOERJ-JTQLQIEISA-N 0 3 211.309 0.929 20 0 BCADHN CC(C)N1CCN(Cc2cn[nH]n2)CC1 ZINC000340279409 188208877 /nfs/dbraw/zinc/20/88/77/188208877.db2.gz QPQZQZAAWQDETP-UHFFFAOYSA-N 0 3 209.297 0.331 20 0 BCADHN O=C(NCc1ccc[nH]1)[C@H]1C[C@H](F)CN1 ZINC000188924089 353269261 /nfs/dbraw/zinc/26/92/61/353269261.db2.gz BUUNVWIGFWZURT-IONNQARKSA-N 0 3 211.240 0.331 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NC[C@@H](O)CN(C)C ZINC000134560010 538113348 /nfs/dbraw/zinc/11/33/48/538113348.db2.gz RKFZLSWRRGRAPW-PSASIEDQSA-N 0 3 226.324 0.291 20 0 BCADHN CC(C)N1CCCN([C@@H]2CCN(C)C2=O)CC1 ZINC000336379370 188229256 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210.277 0.992 20 0 BCADHN C[C@H]1C[C@H](O)CN1Cc1ccc(=O)[nH]c1 ZINC000639094861 353479313 /nfs/dbraw/zinc/47/93/13/353479313.db2.gz JFGGIKUQGATSPC-WPRPVWTQSA-N 0 3 208.261 0.742 20 0 BCADHN COC[C@H](O)CN1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000191808935 353511408 /nfs/dbraw/zinc/51/14/08/353511408.db2.gz ZQDLLNHGRPPQPT-AXFHLTTASA-N 0 3 245.319 0.125 20 0 BCADHN CC[C@@H]1CN(C(=O)CNC)CCN1CC(F)F ZINC000193140611 353581244 /nfs/dbraw/zinc/58/12/44/353581244.db2.gz SKBULCIXMOANBN-SECBINFHSA-N 0 3 249.305 0.394 20 0 BCADHN CCn1cc(NC(=O)NCCN(C)C)cn1 ZINC000193553759 353600979 /nfs/dbraw/zinc/60/09/79/353600979.db2.gz PNQZZOXMGHVQQW-UHFFFAOYSA-N 0 3 225.296 0.586 20 0 BCADHN C[C@H](CN1CCCCC1)NC(=O)NC[C@H](C)O ZINC000192437716 353555596 /nfs/dbraw/zinc/55/55/96/353555596.db2.gz FIEWKEHLXDHZMW-MNOVXSKESA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)C ZINC000192903867 353566664 /nfs/dbraw/zinc/56/66/64/353566664.db2.gz HDJSEEJMFSAAQT-VIFPVBQESA-N 0 3 243.351 0.215 20 0 BCADHN O=C(CN[C@H]1CCOC1)NCc1ccco1 ZINC000165716030 353568598 /nfs/dbraw/zinc/56/85/98/353568598.db2.gz RPOGMABASPKXBP-VIFPVBQESA-N 0 3 224.260 0.274 20 0 BCADHN CNCC(=O)NCc1cc(C)cc(OC)c1 ZINC000193136714 353572128 /nfs/dbraw/zinc/57/21/28/353572128.db2.gz AMDLNPFCCSKGFO-UHFFFAOYSA-N 0 3 222.288 0.839 20 0 BCADHN NC(=O)CCNCc1cccc(CO)c1 ZINC000227468710 363237598 /nfs/dbraw/zinc/23/75/98/363237598.db2.gz FUYYZYIOCKICSV-UHFFFAOYSA-N 0 3 208.261 0.144 20 0 BCADHN C(N[C@@H]1CCOC1)[C@@H]1CN(C2CC2)CCO1 ZINC000165757298 353622372 /nfs/dbraw/zinc/62/23/72/353622372.db2.gz LQAUSGAGVXJACU-ZYHUDNBSSA-N 0 3 226.320 0.228 20 0 BCADHN O=C(NCCCO)C1CCN(C2CC2)CC1 ZINC000194172368 353627080 /nfs/dbraw/zinc/62/70/80/353627080.db2.gz VSKYEVKKHMQEDZ-UHFFFAOYSA-N 0 3 226.320 0.359 20 0 BCADHN CC[C@@H](C(=O)N(C)CCN1CCCC1)N(C)C ZINC000162958420 324171163 /nfs/dbraw/zinc/17/11/63/324171163.db2.gz VLFFKRXSGVXHQN-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CN(C)CC(C)(C)NC(=O)Cc1ccn(C)n1 ZINC000577873621 366093888 /nfs/dbraw/zinc/09/38/88/366093888.db2.gz GSRQQFBVUHPVNF-UHFFFAOYSA-N 0 3 238.335 0.419 20 0 BCADHN CCCN1CCC[C@H]1CNC(=O)C(C)(C)CO ZINC000577864979 366089816 /nfs/dbraw/zinc/08/98/16/366089816.db2.gz ZYJHEEWRYGFDRA-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CN1CCC[C@H]1CNC(=O)c1ccnc(CN)c1 ZINC000231720215 353647495 /nfs/dbraw/zinc/64/74/95/353647495.db2.gz ZCFPKCVYKDOSDH-LBPRGKRZSA-N 0 3 248.330 0.364 20 0 BCADHN CO[C@H](CN[C@H](C)C(N)=O)Cc1ccccc1 ZINC000639108856 353651961 /nfs/dbraw/zinc/65/19/61/353651961.db2.gz MQRYCCPZDVZFKR-PWSUYJOCSA-N 0 3 236.315 0.708 20 0 BCADHN OC[C@@H]1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343312932 353618944 /nfs/dbraw/zinc/61/89/44/353618944.db2.gz FIJBCSXVNHKGTG-UPJWGTAASA-N 0 3 240.347 0.164 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000231853775 353659875 /nfs/dbraw/zinc/65/98/75/353659875.db2.gz SDPSYBFSZGMSEK-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCO1 ZINC000194798244 353696664 /nfs/dbraw/zinc/69/66/64/353696664.db2.gz URCAVOQMIPNYGB-MNOVXSKESA-N 0 3 241.335 0.559 20 0 BCADHN CN1CCO[C@@H]2CCN(CCCF)C[C@H]21 ZINC000334519885 353675647 /nfs/dbraw/zinc/67/56/47/353675647.db2.gz SGAKODWARNGIDW-GHMZBOCLSA-N 0 3 216.300 0.751 20 0 BCADHN C[C@H](CCO)NC(=O)C1CCN(C2CC2)CC1 ZINC000194760276 353690055 /nfs/dbraw/zinc/69/00/55/353690055.db2.gz IXVPBEUSFQOITR-SNVBAGLBSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H](CCO)NC(=O)C1CCN(C2CC2)CC1 ZINC000194760269 353690324 /nfs/dbraw/zinc/69/03/24/353690324.db2.gz IXVPBEUSFQOITR-JTQLQIEISA-N 0 3 240.347 0.748 20 0 BCADHN CNC(=O)[C@@H](N[C@H](C)[C@@H](C)OC)C(C)C ZINC000639111555 353698200 /nfs/dbraw/zinc/69/82/00/353698200.db2.gz HSVWUVJBSQSIQJ-BBBLOLIVSA-N 0 3 216.325 0.770 20 0 BCADHN CNC(=O)[C@@H](N[C@H](C)[C@H](C)OC)C(C)C ZINC000639111557 353698464 /nfs/dbraw/zinc/69/84/64/353698464.db2.gz HSVWUVJBSQSIQJ-UTLUCORTSA-N 0 3 216.325 0.770 20 0 BCADHN CCN(CC)CC(=O)N1CCO[C@@H](CF)C1 ZINC000412441212 191285554 /nfs/dbraw/zinc/28/55/54/191285554.db2.gz XIKPRAICZCTMDT-JTQLQIEISA-N 0 3 232.299 0.525 20 0 BCADHN O=C1CCC[C@@H](CNCc2ccns2)N1 ZINC000639114384 353722914 /nfs/dbraw/zinc/72/29/14/353722914.db2.gz CPMQMKVOBOZRNP-QMMMGPOBSA-N 0 3 225.317 0.901 20 0 BCADHN Cc1c[nH]cc(C(=O)NC2CC(N(C)C)C2)c1=O ZINC000622008800 370661015 /nfs/dbraw/zinc/66/10/15/370661015.db2.gz AJFMWTMQCUZXSS-UHFFFAOYSA-N 0 3 249.314 0.506 20 0 BCADHN CCCC1(CNC(=O)C(=O)NCCN)CCC1 ZINC000391778224 353730893 /nfs/dbraw/zinc/73/08/93/353730893.db2.gz WBXVTITWENZTPZ-UHFFFAOYSA-N 0 3 241.335 0.148 20 0 BCADHN CS[C@H](C)CNC(=O)COC1(C)CNC1 ZINC000165855313 353753551 /nfs/dbraw/zinc/75/35/51/353753551.db2.gz NXQSLUNQMIKEMA-MRVPVSSYSA-N 0 3 232.349 0.233 20 0 BCADHN C[C@H](N[C@H]1CCN(C)[C@H](C)C1)c1ncn(C)n1 ZINC000391858784 353784457 /nfs/dbraw/zinc/78/44/57/353784457.db2.gz VBCOKVSUQIPRTE-VWYCJHECSA-N 0 3 237.351 0.948 20 0 BCADHN CCN(CC)CC(=O)NC[C@@H]1CCC[C@H]1O ZINC000074097348 353784530 /nfs/dbraw/zinc/78/45/30/353784530.db2.gz RTVJKRSAKVLFRP-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](C)[C@@H](CN[C@@H](CO)COC)OC ZINC000639125626 353821877 /nfs/dbraw/zinc/82/18/77/353821877.db2.gz YDTSQMIIMMZOBF-GARJFASQSA-N 0 3 219.325 0.644 20 0 BCADHN CCC[C@](C)(O)C(=O)NCC1=CCN(C)CC1 ZINC000343347811 353841161 /nfs/dbraw/zinc/84/11/61/353841161.db2.gz SBOYRVZCPCGSTE-ZDUSSCGKSA-N 0 3 240.347 0.916 20 0 BCADHN CO[C@@H](CNCCF)C1CCOCC1 ZINC000639132420 353841979 /nfs/dbraw/zinc/84/19/79/353841979.db2.gz BBEGCNPPWNEADU-JTQLQIEISA-N 0 3 205.273 0.987 20 0 BCADHN CCC[C@H](CN[C@@H](C)C(=O)NCCF)OC ZINC000639155383 353864724 /nfs/dbraw/zinc/86/47/24/353864724.db2.gz PACMZNGJCJIEOQ-VHSXEESVSA-N 0 3 234.315 0.865 20 0 BCADHN C[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343359673 353872155 /nfs/dbraw/zinc/87/21/55/353872155.db2.gz GFERBPLRMWSAHP-VXGBXAGGSA-N 0 3 237.347 0.245 20 0 BCADHN CCOCC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343460358 353896046 /nfs/dbraw/zinc/89/60/46/353896046.db2.gz RQMYXENICMCIRY-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CCOCC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343460355 353896163 /nfs/dbraw/zinc/89/61/63/353896163.db2.gz RQMYXENICMCIRY-NXEZZACHSA-N 0 3 214.309 0.622 20 0 BCADHN CCCN(CCN1CCCS1(=O)=O)C1CC1 ZINC000343408666 353878906 /nfs/dbraw/zinc/87/89/06/353878906.db2.gz ZHYTUKAGLIGUBN-UHFFFAOYSA-N 0 3 246.376 0.896 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)NCCC1CC1 ZINC000343417424 353880231 /nfs/dbraw/zinc/88/02/31/353880231.db2.gz KJXIYSMLTFIOEQ-VIFPVBQESA-N 0 3 228.292 0.183 20 0 BCADHN CCC1(NC(=O)[C@H](N)CCC(=O)OC)CCC1 ZINC000343418351 353880765 /nfs/dbraw/zinc/88/07/65/353880765.db2.gz LOSGJBYEKDDYGO-SECBINFHSA-N 0 3 242.319 0.716 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1CCCC1(C)C ZINC000343424867 353882161 /nfs/dbraw/zinc/88/21/61/353882161.db2.gz YAEPYNZXDZIGTI-VIFPVBQESA-N 0 3 242.319 0.668 20 0 BCADHN COC1CC(N[C@H]2C[C@H]3CCCCN3C2=O)C1 ZINC000334522907 353890620 /nfs/dbraw/zinc/89/06/20/353890620.db2.gz ZPBOAHNKPCLSMF-RSJDFQLWSA-N 0 3 238.331 0.907 20 0 BCADHN COC(=O)CCC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343448596 353892100 /nfs/dbraw/zinc/89/21/00/353892100.db2.gz BYZDOUXGBBAGOD-NXEZZACHSA-N 0 3 242.319 0.539 20 0 BCADHN CC[C@](C)(CN[C@H]1C(=O)NCC[C@@H]1C)OC ZINC000639137361 353844002 /nfs/dbraw/zinc/84/40/02/353844002.db2.gz XLASEZLOOPZBQG-HOSYDEDBSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@H]1CCC[C@H]1CNCc1cnc(N)nc1N ZINC000639135198 353845000 /nfs/dbraw/zinc/84/50/00/353845000.db2.gz RWDAGEOQMPHPLW-IUCAKERBSA-N 0 3 235.335 0.828 20 0 BCADHN CCC[C@H](CN[C@@H]1C(=O)NCC[C@@H]1C)OC ZINC000639137270 353845632 /nfs/dbraw/zinc/84/56/32/353845632.db2.gz VYSVBQXAQYQXKL-AXFHLTTASA-N 0 3 228.336 0.916 20 0 BCADHN Cn1ccnc1[C@@H]1OCC[C@@H]1N[C@@H]1CCOC1 ZINC000343402405 353894748 /nfs/dbraw/zinc/89/47/48/353894748.db2.gz NZDKWTOULTUQNO-OUAUKWLOSA-N 0 3 237.303 0.629 20 0 BCADHN OC[C@@]1(F)CCN(CCC[C@H]2CCO2)C1 ZINC000639145673 353851718 /nfs/dbraw/zinc/85/17/18/353851718.db2.gz VLMQCJBJXJXLRI-WDEREUQCSA-N 0 3 217.284 0.962 20 0 BCADHN Cc1cc(CN[C@H]2CCCNC(=O)C2)n(C)n1 ZINC000639147666 353852422 /nfs/dbraw/zinc/85/24/22/353852422.db2.gz OUSJCVVACGHZTN-JTQLQIEISA-N 0 3 236.319 0.487 20 0 BCADHN CCN(CCOCCO)Cc1ccc(=O)[nH]c1 ZINC000639137532 353854699 /nfs/dbraw/zinc/85/46/99/353854699.db2.gz BVSKKTWWAJUDLT-UHFFFAOYSA-N 0 3 240.303 0.618 20 0 BCADHN COCC1(CN[C@@H](C)C(=O)NCCF)CCC1 ZINC000639138387 353855473 /nfs/dbraw/zinc/85/54/73/353855473.db2.gz WJSUYUUEODCDTL-JTQLQIEISA-N 0 3 246.326 0.867 20 0 BCADHN CN(C(=O)[C@@H]1CN2CCN1CCC2)C1CCC1 ZINC000343491423 353909624 /nfs/dbraw/zinc/90/96/24/353909624.db2.gz FXZKDUWETFMITK-LBPRGKRZSA-N 0 3 237.347 0.387 20 0 BCADHN CCCCCNC(=O)[C@@H](N)CCC(=O)OC ZINC000343535638 353916774 /nfs/dbraw/zinc/91/67/74/353916774.db2.gz XHYHZBHCMCICBH-VIFPVBQESA-N 0 3 230.308 0.573 20 0 BCADHN CO[C@@H]1CCN([C@@H](C)C(=O)N(C)C)C1 ZINC000334535593 353920628 /nfs/dbraw/zinc/92/06/28/353920628.db2.gz YOAVFSPRSLVTKQ-DTWKUNHWSA-N 0 3 200.282 0.184 20 0 BCADHN COCC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343511815 353922836 /nfs/dbraw/zinc/92/28/36/353922836.db2.gz JAGPZCAWFZUQSL-BDAKNGLRSA-N 0 3 200.282 0.232 20 0 BCADHN CCOCCNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343610571 353932373 /nfs/dbraw/zinc/93/23/73/353932373.db2.gz CWDRGQNXLDUEBT-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN C[C@H]1C[C@@H](O)CN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000343615085 353934626 /nfs/dbraw/zinc/93/46/26/353934626.db2.gz CJQBREDYMPURAK-QNWHQSFQSA-N 0 3 240.347 0.305 20 0 BCADHN CCCN1CCC[C@@H]1CNC(=O)[C@H](O)C(C)C ZINC000343572783 353937680 /nfs/dbraw/zinc/93/76/80/353937680.db2.gz PMQIEDYZISSTII-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CCC[C@@H]1CNC(=O)[C@@H](O)C(C)C ZINC000343572779 353937782 /nfs/dbraw/zinc/93/77/82/353937782.db2.gz PMQIEDYZISSTII-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1C[C@@H]1N)CO2 ZINC000577947058 366126003 /nfs/dbraw/zinc/12/60/03/366126003.db2.gz CQIVGWVVQCKBIN-DVVUODLYSA-N 0 3 232.283 0.892 20 0 BCADHN O=C(N[C@@H]1CC=CCC1)[C@@H]1CN2CCN1CCC2 ZINC000343686627 353963769 /nfs/dbraw/zinc/96/37/69/353963769.db2.gz NLVUYPCDUAGBOL-OLZOCXBDSA-N 0 3 249.358 0.601 20 0 BCADHN C[C@H]1CN(CCN2CCNC2=O)[C@@H](C)CN1C ZINC000343710399 353968922 /nfs/dbraw/zinc/96/89/22/353968922.db2.gz LIVISEHXHHARDQ-QWRGUYRKSA-N 0 3 240.351 0.036 20 0 BCADHN C[C@@H]1CN(CCN2CCNC2=O)[C@H](C)CN1C ZINC000343710393 353969096 /nfs/dbraw/zinc/96/90/96/353969096.db2.gz LIVISEHXHHARDQ-GHMZBOCLSA-N 0 3 240.351 0.036 20 0 BCADHN CCOC(=O)CCCN1CCN(C)C[C@H]1C ZINC000343774808 353985284 /nfs/dbraw/zinc/98/52/84/353985284.db2.gz CJRSKLBYIUDUDZ-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CCN(C)CCNC(=O)c1cnc(C2CC2)[nH]1 ZINC000343646264 353952970 /nfs/dbraw/zinc/95/29/70/353952970.db2.gz LDVSMIJMWIRURP-UHFFFAOYSA-N 0 3 236.319 0.969 20 0 BCADHN CN(C)C(=O)NCCN(C)C[C@@H](O)C(C)(C)C ZINC000343717946 353957898 /nfs/dbraw/zinc/95/78/98/353957898.db2.gz KPPJKNNVHOKMPG-SNVBAGLBSA-N 0 3 245.367 0.596 20 0 BCADHN CCN(C)C(=O)CCN1CCSC[C@H]1CO ZINC000343727023 353960090 /nfs/dbraw/zinc/96/00/90/353960090.db2.gz HRFZQAUQJIUQMN-SNVBAGLBSA-N 0 3 246.376 0.265 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCO[C@]2(CCOC2)C1 ZINC000343677229 353961440 /nfs/dbraw/zinc/96/14/40/353961440.db2.gz CUYCBQDDMKXSFE-WCQYABFASA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)(C)[C@@H](O)CN1CCO[C@@]2(CCOC2)C1 ZINC000343677226 353961595 /nfs/dbraw/zinc/96/15/95/353961595.db2.gz CUYCBQDDMKXSFE-AAEUAGOBSA-N 0 3 243.347 0.885 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCO[C@]2(CCOC2)C1 ZINC000343677228 353961848 /nfs/dbraw/zinc/96/18/48/353961848.db2.gz CUYCBQDDMKXSFE-DGCLKSJQSA-N 0 3 243.347 0.885 20 0 BCADHN CCCCN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000334553735 353996628 /nfs/dbraw/zinc/99/66/28/353996628.db2.gz CCOZCWZNTSNDEI-UWVGGRQHSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@@H](CN(C)C)Nc1cncc(OCCO)n1 ZINC000343807936 354010260 /nfs/dbraw/zinc/01/02/60/354010260.db2.gz PIXLWLAYRGJRJW-VIFPVBQESA-N 0 3 240.307 0.210 20 0 BCADHN CN(C)CC1(NC(=O)CCCC(N)=O)CCC1 ZINC000343826185 354015804 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/nfs/dbraw/zinc/01/09/56/355010956.db2.gz ATDLKWLBPNAEBQ-OPRDCNLKSA-N 0 3 240.303 0.148 20 0 BCADHN COCC1(C(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000335962997 134027221 /nfs/dbraw/zinc/02/72/21/134027221.db2.gz IWDGCTJWTKLZAQ-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](N)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000335228098 355070215 /nfs/dbraw/zinc/07/02/15/355070215.db2.gz JCZBBWRZUGMKOQ-WPRPVWTQSA-N 0 3 211.309 0.029 20 0 BCADHN CC(C)[C@H](C(=O)N1C[C@@H](O)C2(CC2)C1)N(C)C ZINC000335187001 355085596 /nfs/dbraw/zinc/08/55/96/355085596.db2.gz NPBJBBQCZOBLRT-GHMZBOCLSA-N 0 3 240.347 0.556 20 0 BCADHN CN1CCCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000335183784 355081858 /nfs/dbraw/zinc/08/18/58/355081858.db2.gz HYSAYOFAVVOYPY-ZETCQYMHSA-N 0 3 239.241 0.040 20 0 BCADHN COC1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000335183506 355081977 /nfs/dbraw/zinc/08/19/77/355081977.db2.gz YFJFHPGIBUQBNQ-SSDOTTSWSA-N 0 3 240.225 0.513 20 0 BCADHN Cc1cc(NC(=O)[C@H](N)C(C)C)c(=O)n(C)c1 ZINC000335217402 355056403 /nfs/dbraw/zinc/05/64/03/355056403.db2.gz IGXGICSOXKYKTF-SNVBAGLBSA-N 0 3 237.303 0.616 20 0 BCADHN Cc1cc(NC(=O)[C@@H](N)C(C)C)c(=O)n(C)c1 ZINC000335217400 355056436 /nfs/dbraw/zinc/05/64/36/355056436.db2.gz IGXGICSOXKYKTF-JTQLQIEISA-N 0 3 237.303 0.616 20 0 BCADHN C[C@H](N)C(=O)N1CCNCc2ccccc21 ZINC000335220606 355061130 /nfs/dbraw/zinc/06/11/30/355061130.db2.gz OVGACNVIUNBGTK-VIFPVBQESA-N 0 3 219.288 0.470 20 0 BCADHN NC1(C(=O)N2CCOC3(CCCC3)C2)CC1 ZINC000335975820 134031225 /nfs/dbraw/zinc/03/12/25/134031225.db2.gz YBOOGBWBIZQDPF-UHFFFAOYSA-N 0 3 224.304 0.649 20 0 BCADHN Cc1cc(C(=O)NC[C@@]2(O)CCN(C)C2)co1 ZINC000335224483 355065813 /nfs/dbraw/zinc/06/58/13/355065813.db2.gz SQQOCXQCAIBYFU-LBPRGKRZSA-N 0 3 238.287 0.384 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](O)C[C@H]1C ZINC000346721123 355104046 /nfs/dbraw/zinc/10/40/46/355104046.db2.gz AUZNAPDZFTWRHV-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@H](O)C[C@H]1C ZINC000346721124 355104316 /nfs/dbraw/zinc/10/43/16/355104316.db2.gz AUZNAPDZFTWRHV-MNOVXSKESA-N 0 3 228.336 0.700 20 0 BCADHN COC(=O)CCNC(=O)CC1CCN(C)CC1 ZINC000346813114 355122135 /nfs/dbraw/zinc/12/21/35/355122135.db2.gz PIBWASXCTCYXHS-UHFFFAOYSA-N 0 3 242.319 0.398 20 0 BCADHN CCc1nnc2ccc(N3CCN[C@@H](C)C3)nn21 ZINC000420232204 192180718 /nfs/dbraw/zinc/18/07/18/192180718.db2.gz BLNOWEBFSIFIGO-VIFPVBQESA-N 0 3 246.318 0.485 20 0 BCADHN CO[C@]1(CN2CC[C@H](F)C2)CCOC1 ZINC000639228315 355091025 /nfs/dbraw/zinc/09/10/25/355091025.db2.gz OCSITDVEQXDMFK-UWVGGRQHSA-N 0 3 203.257 0.836 20 0 BCADHN CCN1CC[C@H](NC(=O)N2CCC[C@@H](O)C2)C1 ZINC000335234613 355095275 /nfs/dbraw/zinc/09/52/75/355095275.db2.gz CGMSOXBLUPUOJQ-WDEREUQCSA-N 0 3 241.335 0.247 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000412906611 191326351 /nfs/dbraw/zinc/32/63/51/191326351.db2.gz DSALKWVJPXXSTF-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN COC(=O)CCN1CC[C@H](C(=O)OC)[C@@H]1C ZINC000347017959 355206678 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/nfs/dbraw/zinc/22/73/52/355227352.db2.gz LEGLZEHCQQIPOF-DCAQKATOSA-N 0 3 244.335 0.152 20 0 BCADHN CC[C@@](C)(CN1CCOC[C@@H]1CC(N)=O)OC ZINC000639241779 355228479 /nfs/dbraw/zinc/22/84/79/355228479.db2.gz IWZAVGMRCDHRNO-JQWIXIFHSA-N 0 3 244.335 0.378 20 0 BCADHN C[C@H]1CN(CCO)CCN1CCC[C@H]1CCO1 ZINC000639242976 355229750 /nfs/dbraw/zinc/22/97/50/355229750.db2.gz CDNWVAQSVJIZMJ-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN CC[C@@H](CN(C)CCN1CCOCC1)OC ZINC000412980184 191350046 /nfs/dbraw/zinc/35/00/46/191350046.db2.gz WUCHUNYKGTUOLQ-LBPRGKRZSA-N 0 3 230.352 0.675 20 0 BCADHN CC[C@@H](CN1CCN([C@@H](CC)CO)CC1)OC ZINC000412980126 191350212 /nfs/dbraw/zinc/35/02/12/191350212.db2.gz WFYOVDGDNJMZAA-STQMWFEESA-N 0 3 244.379 0.800 20 0 BCADHN CC[C@H](CN(C)CCN1CCOCC1)OC ZINC000412980183 191350440 /nfs/dbraw/zinc/35/04/40/191350440.db2.gz WUCHUNYKGTUOLQ-GFCCVEGCSA-N 0 3 230.352 0.675 20 0 BCADHN COCC(COC)N[C@@H](C)Cc1cnccn1 ZINC000639235304 355218038 /nfs/dbraw/zinc/21/80/38/355218038.db2.gz JOQVMCLQJVMUKR-JTQLQIEISA-N 0 3 239.319 0.659 20 0 BCADHN CC[C@@H](C(=O)N1CCOC[C@H]1CC)N(C)C ZINC000413464608 191382914 /nfs/dbraw/zinc/38/29/14/191382914.db2.gz WNTXIBYXBQHQSK-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@@H](C(=O)N1CCOC[C@@H]1CC)N(C)C ZINC000413464609 191382989 /nfs/dbraw/zinc/38/29/89/191382989.db2.gz WNTXIBYXBQHQSK-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CC1(C)OCC[C@@H]1NC(=O)N1CCCNCC1 ZINC000335289758 355261588 /nfs/dbraw/zinc/26/15/88/355261588.db2.gz OWKGBLACTMUDFY-JTQLQIEISA-N 0 3 241.335 0.559 20 0 BCADHN CC[C@@H](C)[C@H](CN1C[C@@H](O)[C@H](OC)C1)OC ZINC000639246699 355275136 /nfs/dbraw/zinc/27/51/36/355275136.db2.gz HPLPURANCCFMKG-WISYIIOYSA-N 0 3 231.336 0.739 20 0 BCADHN COC(=O)C[C@@H](C)CC(=O)NCCN(C)C ZINC000347684685 355268433 /nfs/dbraw/zinc/26/84/33/355268433.db2.gz PBUQMBAPVVJWLD-VIFPVBQESA-N 0 3 230.308 0.254 20 0 BCADHN COCC[C@H](C)CNC(=O)N[C@@H](C)CN(C)C ZINC000413546920 191396174 /nfs/dbraw/zinc/39/61/74/191396174.db2.gz SKLLVYQCMGPEDH-QWRGUYRKSA-N 0 3 245.367 0.908 20 0 BCADHN O[C@H]1C[C@@H](CNCc2cnc3n2CCC3)C1 ZINC000623748876 355274788 /nfs/dbraw/zinc/27/47/88/355274788.db2.gz LKYRBSDTBRUDEF-JGZJWPJOSA-N 0 3 221.304 0.690 20 0 BCADHN CC[C@H](C(=O)N[C@](C)(CC)C(=O)OC)N(C)C ZINC000413293862 191369076 /nfs/dbraw/zinc/36/90/76/191369076.db2.gz FWWILULWGCRHOL-BXKDBHETSA-N 0 3 244.335 0.785 20 0 BCADHN CC[C@H](C(=O)N(CC(=O)OC)C1CC1)N(C)C ZINC000413593206 191397676 /nfs/dbraw/zinc/39/76/76/191397676.db2.gz VJJAOLXGZWDZRG-SNVBAGLBSA-N 0 3 242.319 0.491 20 0 BCADHN C[C@H]1C[C@H]1CNC(=O)N1CCCNCC1 ZINC000335287877 355257552 /nfs/dbraw/zinc/25/75/52/355257552.db2.gz QJDZZFZUQIYVLB-UWVGGRQHSA-N 0 3 211.309 0.647 20 0 BCADHN CCOC(=O)[C@H](C)N(C)C(=O)[C@@H](CC)N(C)C ZINC000413424691 191379231 /nfs/dbraw/zinc/37/92/31/191379231.db2.gz XNPFWOJLOAUGCH-VHSXEESVSA-N 0 3 244.335 0.737 20 0 BCADHN CO[C@@]1(CN2CC(C(C)(C)O)C2)CCOC1 ZINC000639252560 355288641 /nfs/dbraw/zinc/28/86/41/355288641.db2.gz KQQPNUQPUGWTGL-GFCCVEGCSA-N 0 3 229.320 0.495 20 0 BCADHN CO[C@H](C(=O)NC(C)(C)CN(C)C)C1CC1 ZINC000413857819 191414118 /nfs/dbraw/zinc/41/41/18/191414118.db2.gz IEJFMLZTWQFPQQ-JTQLQIEISA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@@H](N)C(=O)N1CCN(C)c2ncccc21 ZINC000583502977 355334947 /nfs/dbraw/zinc/33/49/47/355334947.db2.gz LMNHHBOBJHRBKP-SECBINFHSA-N 0 3 234.303 0.602 20 0 BCADHN O=c1ccc(CN2CCC[C@](O)(CO)C2)c[nH]1 ZINC000639257749 355304043 /nfs/dbraw/zinc/30/40/43/355304043.db2.gz YCILXNIQTSMTDX-GFCCVEGCSA-N 0 3 238.287 0.106 20 0 BCADHN O=c1ccc(CN2CCC[C@@](O)(CO)C2)c[nH]1 ZINC000639257750 355304337 /nfs/dbraw/zinc/30/43/37/355304337.db2.gz YCILXNIQTSMTDX-LBPRGKRZSA-N 0 3 238.287 0.106 20 0 BCADHN C[C@@]1(NCc2cnc(N)nc2N)CC=CCC1 ZINC000639258947 355305597 /nfs/dbraw/zinc/30/55/97/355305597.db2.gz OOUWAHVLMLONSU-GFCCVEGCSA-N 0 3 233.319 0.890 20 0 BCADHN C[C@]1(NCc2cnc(N)nc2N)CC=CCC1 ZINC000639258948 355305737 /nfs/dbraw/zinc/30/57/37/355305737.db2.gz OOUWAHVLMLONSU-LBPRGKRZSA-N 0 3 233.319 0.890 20 0 BCADHN Nc1ncc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c(N)n1 ZINC000639258985 355306968 /nfs/dbraw/zinc/30/69/68/355306968.db2.gz PMVDRPSFTLXHHC-FKTZTGRPSA-N 0 3 233.319 0.580 20 0 BCADHN CO[C@@H]1COC[C@@H]1NCCCc1cnn(C)c1 ZINC000639259193 355308851 /nfs/dbraw/zinc/30/88/51/355308851.db2.gz UGAZLTDGLJGLNP-NWDGAFQWSA-N 0 3 239.319 0.356 20 0 BCADHN CN(C)C(=O)C1(NCCC[C@@H]2CCO2)CC1 ZINC000639261745 355314748 /nfs/dbraw/zinc/31/47/48/355314748.db2.gz NCCISTMNUSCBOE-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1C[C@H](CNCc2ncnn2C)[C@@H](C)O1 ZINC000639263988 355320310 /nfs/dbraw/zinc/32/03/10/355320310.db2.gz KRTLANPQHHWKLA-OPRDCNLKSA-N 0 3 224.308 0.718 20 0 BCADHN CC(C)CCCNC(=O)CCOC1CNC1 ZINC000348988405 355336641 /nfs/dbraw/zinc/33/66/41/355336641.db2.gz HGXFXOCHCIBTBS-UHFFFAOYSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@H]1CC(C)(C)CN1Cc1cnc(N)nc1N ZINC000639265098 355322584 /nfs/dbraw/zinc/32/25/84/355322584.db2.gz DKWCZLRWZJTYCR-QMMMGPOBSA-N 0 3 235.335 0.922 20 0 BCADHN CC[C@@H](O)CCCNC(=O)CCOC1CNC1 ZINC000348989138 355336935 /nfs/dbraw/zinc/33/69/35/355336935.db2.gz CDEGBVIORCKUHJ-SNVBAGLBSA-N 0 3 244.335 0.032 20 0 BCADHN C[C@@H](NC(=O)CCOC1CNC1)c1cccnc1 ZINC000348989023 355336952 /nfs/dbraw/zinc/33/69/52/355336952.db2.gz ITDWEGUQRPETIL-SNVBAGLBSA-N 0 3 249.314 0.637 20 0 BCADHN CNC(=O)C1CN(C[C@@](C)(OC)C2CC2)C1 ZINC000639268798 355328647 /nfs/dbraw/zinc/32/86/47/355328647.db2.gz PYNOUHVSRSYLNH-GFCCVEGCSA-N 0 3 226.320 0.479 20 0 BCADHN CSCCCNC(=O)[C@@H](C)NC1CC1 ZINC000394970172 355332449 /nfs/dbraw/zinc/33/24/49/355332449.db2.gz UKJQJHKUDZIQRZ-MRVPVSSYSA-N 0 3 216.350 0.996 20 0 BCADHN CSCCCNC(=O)[C@H](C)NC1CC1 ZINC000394970173 355332482 /nfs/dbraw/zinc/33/24/82/355332482.db2.gz UKJQJHKUDZIQRZ-QMMMGPOBSA-N 0 3 216.350 0.996 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000414186779 191456691 /nfs/dbraw/zinc/45/66/91/191456691.db2.gz PTPALPUDQUDDHO-FOUMNBMASA-N 0 3 240.347 0.473 20 0 BCADHN CO[C@@H]1CN(CCC[C@@H]2CCO2)C[C@H]1O ZINC000639248078 355277599 /nfs/dbraw/zinc/27/75/99/355277599.db2.gz NZVMJGFLHQCSJK-GMTAPVOTSA-N 0 3 215.293 0.247 20 0 BCADHN COCC[C@@H](C)CNC(=O)NC[C@H](C)N(C)C ZINC000413595020 191399200 /nfs/dbraw/zinc/39/92/00/191399200.db2.gz NQZRSCMPYKNBPN-MNOVXSKESA-N 0 3 245.367 0.908 20 0 BCADHN CC[C@@H](C(=O)N(CCO)C1CC1)N(C)C ZINC000413639766 191399955 /nfs/dbraw/zinc/39/99/55/191399955.db2.gz OZRULLSSJQOUSP-JTQLQIEISA-N 0 3 214.309 0.310 20 0 BCADHN CCNC(=O)C1CN(CC2CC(OCC)C2)C1 ZINC000639251446 355283961 /nfs/dbraw/zinc/28/39/61/355283961.db2.gz QERMVQMCFHVUFO-UHFFFAOYSA-N 0 3 240.347 0.869 20 0 BCADHN CO[C@@H](CN1CC(CCO)C1)[C@@H]1CCOC1 ZINC000639251350 355284293 /nfs/dbraw/zinc/28/42/93/355284293.db2.gz MKZUWAMBMNWMNA-NEPJUHHUSA-N 0 3 229.320 0.352 20 0 BCADHN CO[C@H](CN1CC(C(C)(C)O)C1)[C@@H]1CCOC1 ZINC000639252427 355286251 /nfs/dbraw/zinc/28/62/51/355286251.db2.gz HHTPWUBMNORKDZ-ZYHUDNBSSA-N 0 3 243.347 0.741 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623236719 355371527 /nfs/dbraw/zinc/37/15/27/355371527.db2.gz DUUKMNBZJROICD-GZMMTYOYSA-N 0 3 247.298 0.163 20 0 BCADHN C[C@H]1OCC[C@@H]1C(=O)N1CCN2CCC1CC2 ZINC000335753819 355393030 /nfs/dbraw/zinc/39/30/30/355393030.db2.gz OULBTGSHZPHHDA-PWSUYJOCSA-N 0 3 238.331 0.718 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)C2(C)COC2)CCN1C ZINC000335982672 134037997 /nfs/dbraw/zinc/03/79/97/134037997.db2.gz QXYWKMUHMXLTBT-ZJUUUORDSA-N 0 3 226.320 0.622 20 0 BCADHN CO[C@]1(CN2CC[C@H](NC(C)=O)C2)CCOC1 ZINC000639275806 355352243 /nfs/dbraw/zinc/35/22/43/355352243.db2.gz XNRNPMMOEYDWPC-RYUDHWBXSA-N 0 3 242.319 0.002 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@@H](C)OC ZINC000191209829 355353482 /nfs/dbraw/zinc/35/34/82/355353482.db2.gz FSKKGWHFOAFPSN-RKDXNWHRSA-N 0 3 223.338 0.434 20 0 BCADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(F)F ZINC000235727024 363450852 /nfs/dbraw/zinc/45/08/52/363450852.db2.gz VIQHPRMFBPPLMO-JGVFFNPUSA-N 0 3 218.247 0.947 20 0 BCADHN C[C@H](N)C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000335778811 355405149 /nfs/dbraw/zinc/40/51/49/355405149.db2.gz CNTCWTIINBQEHH-XPUUQOCRSA-N 0 3 240.225 0.249 20 0 BCADHN CN(CCCCO)C(=O)NCCN(C)C1CC1 ZINC000349694193 355412244 /nfs/dbraw/zinc/41/22/44/355412244.db2.gz BKRVLEHMELTNTN-UHFFFAOYSA-N 0 3 243.351 0.495 20 0 BCADHN CC(C)N(C)CC(=O)NCc1ccno1 ZINC000349727233 355420638 /nfs/dbraw/zinc/42/06/38/355420638.db2.gz NOOHYWJWWDSSMU-UHFFFAOYSA-N 0 3 211.265 0.631 20 0 BCADHN C[C@H]1CN(C(=O)c2ccc3c(c2)CNC3)CCN1 ZINC000335786636 355436146 /nfs/dbraw/zinc/43/61/46/355436146.db2.gz QBYQRMKPRCYJES-JTQLQIEISA-N 0 3 245.326 0.724 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@H]2C[C@@H](O)C2)n1 ZINC000623750661 355490401 /nfs/dbraw/zinc/49/04/01/355490401.db2.gz PYNGDCSMMLKSQG-AOOOYVTPSA-N 0 3 222.288 0.956 20 0 BCADHN CC(C(=O)N(C)[C@@H]1CC1(C)C)S(C)(=O)=O ZINC000335800442 355493744 /nfs/dbraw/zinc/49/37/44/355493744.db2.gz GXRQQZHSENKDEZ-HTQZYQBOSA-N 0 3 233.333 0.676 20 0 BCADHN C[C@@H](O)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000335811609 355497609 /nfs/dbraw/zinc/49/76/09/355497609.db2.gz AZDQJDVKUATFKM-PWSUYJOCSA-N 0 3 240.347 0.700 20 0 BCADHN CC[C@@H](NCC[C@H](O)COC)c1ccn(C)n1 ZINC000349777808 355459801 /nfs/dbraw/zinc/45/98/01/355459801.db2.gz QNGNTZZBUSAUDH-WDEREUQCSA-N 0 3 241.335 0.858 20 0 BCADHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)C1CC1 ZINC000349779879 355460438 /nfs/dbraw/zinc/46/04/38/355460438.db2.gz ANTXJKGHUIKLTJ-SECBINFHSA-N 0 3 234.365 0.797 20 0 BCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N(C)C ZINC000349824551 355470259 /nfs/dbraw/zinc/47/02/59/355470259.db2.gz ZBDCWKXUWRJFKK-NSHDSACASA-N 0 3 242.367 0.284 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)CC(C)(C)O ZINC000349846108 355472812 /nfs/dbraw/zinc/47/28/12/355472812.db2.gz AKQKKOJBIKBULM-SECBINFHSA-N 0 3 214.309 0.358 20 0 BCADHN Cc1n[nH]cc1CN1CC[C@H](C)[C@H](O)C1 ZINC000335996808 134042601 /nfs/dbraw/zinc/04/26/01/134042601.db2.gz PFUMLIDHMRPYEU-GZMMTYOYSA-N 0 3 209.293 0.921 20 0 BCADHN CC[C@@]1(CO)CCCN([C@@H]2CCCNC2=O)C1 ZINC000335821321 355540000 /nfs/dbraw/zinc/54/00/00/355540000.db2.gz NNVOLZJFRFQVTJ-DGCLKSJQSA-N 0 3 240.347 0.750 20 0 BCADHN CN(C[C@H]1CCCOC1)C(=O)[C@H]1CCCN1C ZINC000335827319 355552969 /nfs/dbraw/zinc/55/29/69/355552969.db2.gz KYOJDGLAUOJVGX-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)OCC[C@H](O)CN(CC(N)=O)C(C)C ZINC000349881016 355517652 /nfs/dbraw/zinc/51/76/52/355517652.db2.gz LDPBNJAHJQEPLM-NSHDSACASA-N 0 3 246.351 0.358 20 0 BCADHN CC[C@](C)(NC[C@H](O)CCOC(C)C)C(N)=O ZINC000349884542 355518522 /nfs/dbraw/zinc/51/85/22/355518522.db2.gz QMJIRPAFXSRHKT-PWSUYJOCSA-N 0 3 246.351 0.406 20 0 BCADHN CO[C@@H]1CCN(C[C@@H](O)CCOC(C)C)C1 ZINC000349892422 355519902 /nfs/dbraw/zinc/51/99/02/355519902.db2.gz MVRSJAKIJVGEFN-NWDGAFQWSA-N 0 3 231.336 0.883 20 0 BCADHN CO[C@@H]1CCN(C[C@H](O)CCOC(C)C)C1 ZINC000349892425 355520510 /nfs/dbraw/zinc/52/05/10/355520510.db2.gz MVRSJAKIJVGEFN-VXGBXAGGSA-N 0 3 231.336 0.883 20 0 BCADHN C[C@H](C(=O)N1CC(C)(O)C1)N1CCCCCC1 ZINC000335844047 355587507 /nfs/dbraw/zinc/58/75/07/355587507.db2.gz IATKMTBSUCILPK-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN CCc1cccc(NC(=O)C(=O)N[C@H](C)CN)c1 ZINC000415601046 191696909 /nfs/dbraw/zinc/69/69/09/191696909.db2.gz PGXCPCIODZZYTB-SECBINFHSA-N 0 3 249.314 0.651 20 0 BCADHN CC(C)NC(=O)NCCN1CCC[C@]1(C)CO ZINC000582178683 355612660 /nfs/dbraw/zinc/61/26/60/355612660.db2.gz NOOWJUKZTGQELM-GFCCVEGCSA-N 0 3 243.351 0.541 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000350145834 355614024 /nfs/dbraw/zinc/61/40/24/355614024.db2.gz ISXHSALWZVBWBS-GXSJLCMTSA-N 0 3 226.320 0.356 20 0 BCADHN CS[C@H]1CN(C(=O)N(C)C)C[C@@H]1N(C)C ZINC000335838003 355566545 /nfs/dbraw/zinc/56/65/45/355566545.db2.gz LYDDQQMOTITFRP-IUCAKERBSA-N 0 3 231.365 0.645 20 0 BCADHN COCCC(=O)NCCN1CC=C(C)CC1 ZINC000349991044 355570434 /nfs/dbraw/zinc/57/04/34/355570434.db2.gz NYHQKVKOYCPEFQ-UHFFFAOYSA-N 0 3 226.320 0.791 20 0 BCADHN CC1(NCc2cnc(N)nc2N)CC=CC1 ZINC000639294962 355571688 /nfs/dbraw/zinc/57/16/88/355571688.db2.gz HFNMEHQBUKGGID-UHFFFAOYSA-N 0 3 219.292 0.500 20 0 BCADHN CCC[C@H](NC(C)C)C(=O)N1CCNC(=O)C1 ZINC000349995335 355572179 /nfs/dbraw/zinc/57/21/79/355572179.db2.gz UAAWWISVTCIIFW-JTQLQIEISA-N 0 3 241.335 0.112 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H](CC(N)=O)C1 ZINC000350216137 355650230 /nfs/dbraw/zinc/65/02/30/355650230.db2.gz ONLKREBUSAVJMH-JTQLQIEISA-N 0 3 241.335 0.052 20 0 BCADHN CC(C)[C@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC000583574423 355656618 /nfs/dbraw/zinc/65/66/18/355656618.db2.gz YJKINDIDGVDFHJ-RYUDHWBXSA-N 0 3 242.363 0.709 20 0 BCADHN CCO[C@@H]1C[C@H](NC/C=C\CO)[C@]12CCCO2 ZINC000639307611 355662259 /nfs/dbraw/zinc/66/22/59/355662259.db2.gz CZPASISRLYSPHY-LBRDAYAISA-N 0 3 241.331 0.851 20 0 BCADHN Cn1ncnc1CN[C@@H]1CCN(C(C)(C)C)C1 ZINC000639305420 355667106 /nfs/dbraw/zinc/66/71/06/355667106.db2.gz QXNXXZZYVRPDNC-SNVBAGLBSA-N 0 3 237.351 0.778 20 0 BCADHN Cn1cncc1CN[C@H]1CCCC[C@@H]1C(N)=O ZINC000350312206 355668226 /nfs/dbraw/zinc/66/82/26/355668226.db2.gz ALGVBWMTWVOCKK-QWRGUYRKSA-N 0 3 236.319 0.554 20 0 BCADHN Cn1cncc1CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000350312204 355668323 /nfs/dbraw/zinc/66/83/23/355668323.db2.gz ALGVBWMTWVOCKK-GHMZBOCLSA-N 0 3 236.319 0.554 20 0 BCADHN CO[C@@H]1CC[C@@H](NC(=O)C(C)S(C)(=O)=O)C1 ZINC000350313976 355669032 /nfs/dbraw/zinc/66/90/32/355669032.db2.gz AENVTWUFNUUCGL-DJLDLDEBSA-N 0 3 249.332 0.103 20 0 BCADHN C[C@H](O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000335861268 355623730 /nfs/dbraw/zinc/62/37/30/355623730.db2.gz YMKOJLZNCVZQGL-QWRGUYRKSA-N 0 3 226.320 0.454 20 0 BCADHN O[C@@H]1C[C@H]2CN(CCC[C@@H]3CCO3)CCN2C1 ZINC000639299076 355624090 /nfs/dbraw/zinc/62/40/90/355624090.db2.gz GNYHUSWTMUWNAE-YNEHKIRRSA-N 0 3 240.347 0.306 20 0 BCADHN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]1N ZINC000332010006 181204506 /nfs/dbraw/zinc/20/45/06/181204506.db2.gz SWEJELUFBPBDJW-XAVMHZPKSA-N 0 3 225.292 0.544 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000639315870 355707554 /nfs/dbraw/zinc/70/75/54/355707554.db2.gz GBQBBURLGBRONA-MMWGEVLESA-N 0 3 249.376 0.965 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000639315872 355707622 /nfs/dbraw/zinc/70/76/22/355707622.db2.gz GBQBBURLGBRONA-YTWAJWBKSA-N 0 3 249.376 0.965 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000639315871 355707636 /nfs/dbraw/zinc/70/76/36/355707636.db2.gz GBQBBURLGBRONA-UKKRHICBSA-N 0 3 249.376 0.965 20 0 BCADHN CC[C@H](NCc1cnc(N)nc1N)C1CC1 ZINC000639316302 355708556 /nfs/dbraw/zinc/70/85/56/355708556.db2.gz HXOLRDOXQYGFCF-VIFPVBQESA-N 0 3 221.308 0.580 20 0 BCADHN CO[C@H](C)c1nc(CNC(=O)[C@H](C)N)cs1 ZINC000353244740 355710583 /nfs/dbraw/zinc/71/05/83/355710583.db2.gz OSYXEGYIDKPSLD-NKWVEPMBSA-N 0 3 243.332 0.814 20 0 BCADHN C[C@H](Cc1cnn(C)c1)NCc1ccnn1C ZINC000350510021 355714486 /nfs/dbraw/zinc/71/44/86/355714486.db2.gz BFICCDVMILABOX-SNVBAGLBSA-N 0 3 233.319 0.874 20 0 BCADHN C[C@@H](Cc1cnn(C)c1)NCc1nccn1C ZINC000350509934 355714695 /nfs/dbraw/zinc/71/46/95/355714695.db2.gz AJKPRZUVQVNANG-JTQLQIEISA-N 0 3 233.319 0.874 20 0 BCADHN NC(=O)NC(=O)CCN1CC2(C1)CCCCC2 ZINC000336003265 134048216 /nfs/dbraw/zinc/04/82/16/134048216.db2.gz CNLPBKHFMZFSIR-UHFFFAOYSA-N 0 3 239.319 0.838 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)Nc2cnns2)C1 ZINC000192339053 259458423 /nfs/dbraw/zinc/45/84/23/259458423.db2.gz JREHYLCYECVQDI-ZETCQYMHSA-N 0 3 241.320 0.706 20 0 BCADHN CN1CCN(CC2CCCC2)[C@@H](CO)C1 ZINC000639336799 355772904 /nfs/dbraw/zinc/77/29/04/355772904.db2.gz LSHVTCOMSYWMHS-GFCCVEGCSA-N 0 3 212.337 0.785 20 0 BCADHN Cn1ncnc1CNC[C@H]1CCOC1(C)C ZINC000639330646 355747814 /nfs/dbraw/zinc/74/78/14/355747814.db2.gz MZYGUKDQCPXWMK-SECBINFHSA-N 0 3 224.308 0.720 20 0 BCADHN CNC(=O)CN(C)CCC[C@H]1CCO1 ZINC000639332896 355759691 /nfs/dbraw/zinc/75/96/91/355759691.db2.gz QITBYXGDSBUYAC-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN Cc1nnsc1CN[C@@H](C)CN(C)C ZINC000162740671 363454148 /nfs/dbraw/zinc/45/41/48/363454148.db2.gz LYVSRKWGKCDPRC-ZETCQYMHSA-N 0 3 214.338 0.886 20 0 BCADHN CCn1nccc1CN[C@@H]1CCCNC(=O)C1 ZINC000639336705 355772007 /nfs/dbraw/zinc/77/20/07/355772007.db2.gz FQEDDJFSFSAVNS-SNVBAGLBSA-N 0 3 236.319 0.661 20 0 BCADHN Nc1ncc(CN[C@@H]2[C@@H]3CCC[C@@H]32)c(N)n1 ZINC000639325193 355726678 /nfs/dbraw/zinc/72/66/78/355726678.db2.gz PTRWITGCHKRHBQ-AYMMMOKOSA-N 0 3 219.292 0.190 20 0 BCADHN CN1CCN(CC[C@H]2CCOC2)[C@H](CO)C1 ZINC000639337206 355775709 /nfs/dbraw/zinc/77/57/09/355775709.db2.gz PWVDICDBRYLKRJ-RYUDHWBXSA-N 0 3 228.336 0.021 20 0 BCADHN CO[C@H](CNCc1cn[nH]n1)C1CCOCC1 ZINC000639339758 355780755 /nfs/dbraw/zinc/78/07/55/355780755.db2.gz AXZXFYYEWVJXLD-LLVKDONJSA-N 0 3 240.307 0.336 20 0 BCADHN CO[C@H](CNCc1c[nH]nn1)C1CCOCC1 ZINC000639339758 355780757 /nfs/dbraw/zinc/78/07/57/355780757.db2.gz AXZXFYYEWVJXLD-LLVKDONJSA-N 0 3 240.307 0.336 20 0 BCADHN CC[C@H](C)[C@@H](CNCc1cn[nH]n1)OC ZINC000639339691 355780949 /nfs/dbraw/zinc/78/09/49/355780949.db2.gz ANUTXJOPCICBAU-WCBMZHEXSA-N 0 3 212.297 0.955 20 0 BCADHN CC[C@H](C)[C@@H](CNCc1c[nH]nn1)OC ZINC000639339691 355780951 /nfs/dbraw/zinc/78/09/51/355780951.db2.gz ANUTXJOPCICBAU-WCBMZHEXSA-N 0 3 212.297 0.955 20 0 BCADHN CO[C@@H](CNCc1cn[nH]n1)CC(C)C ZINC000639341864 355783517 /nfs/dbraw/zinc/78/35/17/355783517.db2.gz PBRNPKRXROHKOZ-SNVBAGLBSA-N 0 3 212.297 0.955 20 0 BCADHN CO[C@@H](CNCc1c[nH]nn1)CC(C)C ZINC000639341864 355783521 /nfs/dbraw/zinc/78/35/21/355783521.db2.gz PBRNPKRXROHKOZ-SNVBAGLBSA-N 0 3 212.297 0.955 20 0 BCADHN CN(Cc1ccc(=O)[nH]c1)[C@H]1CCC(=O)N(C)C1 ZINC000639344579 355783938 /nfs/dbraw/zinc/78/39/38/355783938.db2.gz XKFJUQHBLNHUGR-NSHDSACASA-N 0 3 249.314 0.840 20 0 BCADHN CN(Cc1ccc(=O)[nH]c1)[C@@H]1CCC(=O)N(C)C1 ZINC000639344578 355783947 /nfs/dbraw/zinc/78/39/47/355783947.db2.gz XKFJUQHBLNHUGR-LLVKDONJSA-N 0 3 249.314 0.840 20 0 BCADHN CN(Cc1ccc(=O)[nH]c1)[C@@]1(CO)CCOC1 ZINC000639342557 355784564 /nfs/dbraw/zinc/78/45/64/355784564.db2.gz YFQYCJDCNAESSX-GFCCVEGCSA-N 0 3 238.287 0.370 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)C ZINC000336023290 134056447 /nfs/dbraw/zinc/05/64/47/134056447.db2.gz WHNQYKMOXMJNJD-PSASIEDQSA-N 0 3 211.309 0.740 20 0 BCADHN COC(=O)C[C@]1(NCC[C@@H](C)O)CCOC1 ZINC000425435484 191854258 /nfs/dbraw/zinc/85/42/58/191854258.db2.gz SRJFONFOAJGJDB-MWLCHTKSSA-N 0 3 231.292 0.069 20 0 BCADHN COc1ncc(CN[C@H]2C[C@H](C(N)=O)C2)s1 ZINC000639346240 355792269 /nfs/dbraw/zinc/79/22/69/355792269.db2.gz FPSJNSFCGGCMHG-LJGSYFOKSA-N 0 3 241.316 0.505 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ccon2)CCN1C ZINC000336025834 134057145 /nfs/dbraw/zinc/05/71/45/134057145.db2.gz FQRXFAGFZMFIMK-BDAKNGLRSA-N 0 3 223.276 0.887 20 0 BCADHN Nc1c(F)cccc1CN[C@@H]1CCOC[C@H]1O ZINC000639355547 355809822 /nfs/dbraw/zinc/80/98/22/355809822.db2.gz VEEYEQLPYAQYGU-GHMZBOCLSA-N 0 3 240.278 0.647 20 0 BCADHN O[C@H]1CCN(CCNCc2ccns2)C1 ZINC000639356293 355810729 /nfs/dbraw/zinc/81/07/29/355810729.db2.gz BCPHSQXDFYEBDN-VIFPVBQESA-N 0 3 227.333 0.299 20 0 BCADHN C[C@]12CN(Cc3ccco3)C[C@]1(C)C(=O)NC2=O ZINC000639362001 355816908 /nfs/dbraw/zinc/81/69/08/355816908.db2.gz BSMKDHPQDQABLB-CHWSQXEVSA-N 0 3 248.282 0.764 20 0 BCADHN Cc1ccc(CCN[C@@H]2COC[C@@H]2O)cc1 ZINC000639363287 355820600 /nfs/dbraw/zinc/82/06/00/355820600.db2.gz NXNJPQVSJVMDNK-OLZOCXBDSA-N 0 3 221.300 0.887 20 0 BCADHN CO[C@H](CN[C@@H]1COC[C@@H]1O)C1CCCCC1 ZINC000639364329 355833939 /nfs/dbraw/zinc/83/39/39/355833939.db2.gz WDPKOXYVOUBJCL-FRRDWIJNSA-N 0 3 243.347 0.931 20 0 BCADHN C[C@]12CN(CC3(F)CC3)C[C@@]1(C)C(=O)NC2=O ZINC000639365938 355841817 /nfs/dbraw/zinc/84/18/17/355841817.db2.gz SVMGMBOAIYSZQS-PHIMTYICSA-N 0 3 240.278 0.473 20 0 BCADHN C[C@H](Cc1ccsc1)N(CCO)CCO ZINC000628369688 355876981 /nfs/dbraw/zinc/87/69/81/355876981.db2.gz RUYNXCGJNPYSEL-SNVBAGLBSA-N 0 3 229.345 0.966 20 0 BCADHN CC(C)CC[C@H](O)CN1CC[C@@H](CO)[C@H](O)C1 ZINC000583622559 355854482 /nfs/dbraw/zinc/85/44/82/355854482.db2.gz NVQFNUALBGPNED-RWMBFGLXSA-N 0 3 245.363 0.459 20 0 BCADHN CCCC[C@H](COC)N(CCO)CCO ZINC000628369783 355877503 /nfs/dbraw/zinc/87/75/03/355877503.db2.gz ASRKRNVCNHWOMZ-LLVKDONJSA-N 0 3 219.325 0.478 20 0 BCADHN CN(Cc1ccn(C)c1)[C@]1(CO)CCOC1 ZINC000628367204 355862697 /nfs/dbraw/zinc/86/26/97/355862697.db2.gz PLOOLTSJUJMVFN-LBPRGKRZSA-N 0 3 224.304 0.608 20 0 BCADHN Cc1ccc(CN(CCO)CCO)s1 ZINC000628369430 355870662 /nfs/dbraw/zinc/87/06/62/355870662.db2.gz XPVWXLTURCTXSV-UHFFFAOYSA-N 0 3 215.318 0.843 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1CC1 ZINC000336035051 134059407 /nfs/dbraw/zinc/05/94/07/134059407.db2.gz NKMTZCOTTSGFLN-LDYMZIIASA-N 0 3 208.305 0.995 20 0 BCADHN CC1CCN(CCN2CC(=O)N(C)C2)CC1 ZINC000336036880 134059932 /nfs/dbraw/zinc/05/99/32/134059932.db2.gz YXXQJJNRYLBQOL-UHFFFAOYSA-N 0 3 225.336 0.450 20 0 BCADHN CSCCN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000336035792 134059964 /nfs/dbraw/zinc/05/99/64/134059964.db2.gz VYGVVNNTNDHJFO-RKDXNWHRSA-N 0 3 214.334 0.560 20 0 BCADHN CNS(=O)(=O)CCCNCc1ccns1 ZINC000639378104 355909211 /nfs/dbraw/zinc/90/92/11/355909211.db2.gz ASYPXZNADBZFSB-UHFFFAOYSA-N 0 3 249.361 0.172 20 0 BCADHN CSCCNC(=O)NCCN(C)C1CC1 ZINC000609573140 355911351 /nfs/dbraw/zinc/91/13/51/355911351.db2.gz VWEJPJSQUUTYDB-UHFFFAOYSA-N 0 3 231.365 0.743 20 0 BCADHN CO[C@@H](CNC1(C)COC1)[C@@H]1CCOC1 ZINC000639381127 355918149 /nfs/dbraw/zinc/91/81/49/355918149.db2.gz QBNUGTAUYUMAST-ZJUUUORDSA-N 0 3 215.293 0.416 20 0 BCADHN C[C@@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1C ZINC000350978562 355933986 /nfs/dbraw/zinc/93/39/86/355933986.db2.gz OILZINQNNAUZEF-NXEZZACHSA-N 0 3 228.336 0.746 20 0 BCADHN NC(=O)NC(=O)CCNCCC(F)(F)F ZINC000583626275 355934642 /nfs/dbraw/zinc/93/46/42/355934642.db2.gz KWHIQPSPOWYNBT-UHFFFAOYSA-N 0 3 227.186 0.113 20 0 BCADHN COCCCN(C)CCNC(=O)N1CC[C@H]1C ZINC000608704947 355934806 /nfs/dbraw/zinc/93/48/06/355934806.db2.gz PSIZUZIAZYYTHL-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN Cc1nnsc1CNCC1(O)CCC1 ZINC000389244430 355935396 /nfs/dbraw/zinc/93/53/96/355935396.db2.gz ALFNNJCHYSCRRE-UHFFFAOYSA-N 0 3 213.306 0.851 20 0 BCADHN CNC(=O)CCCN[C@@H](C)c1ncc[nH]1 ZINC000308947908 491085608 /nfs/dbraw/zinc/08/56/08/491085608.db2.gz OGEQKPABWJNAFI-QMMMGPOBSA-N 0 3 210.281 0.587 20 0 BCADHN C[C@@H]1C[C@H]1CN(C)CC(=O)N1CCOCC1 ZINC000351329981 355980484 /nfs/dbraw/zinc/98/04/84/355980484.db2.gz PMLOUERZSDIYSC-MNOVXSKESA-N 0 3 226.320 0.433 20 0 BCADHN O=C1CCCN1CCN1CC[C@@]2(O)C[C@H]2C1 ZINC000661716554 491086158 /nfs/dbraw/zinc/08/61/58/491086158.db2.gz VPLHPUUYUDARDM-CMPLNLGQSA-N 0 3 224.304 0.066 20 0 BCADHN CN(C)CCOC1CCN(C(=O)N(C)C)CC1 ZINC000351510593 356006477 /nfs/dbraw/zinc/00/64/77/356006477.db2.gz GIVLDMRVYNJSOD-UHFFFAOYSA-N 0 3 243.351 0.711 20 0 BCADHN CCN1CCCC[C@H]1CNC(=O)C1(N)CC1 ZINC000167322065 355991043 /nfs/dbraw/zinc/99/10/43/355991043.db2.gz CBBGEVOFXZLBPX-JTQLQIEISA-N 0 3 225.336 0.468 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)CC(C)(C)O ZINC000351137931 355952141 /nfs/dbraw/zinc/95/21/41/355952141.db2.gz DBIOVDBERHGPLX-UHFFFAOYSA-N 0 3 228.336 0.700 20 0 BCADHN COC(=O)c1ccc(CNC[C@@H](O)C(C)C)[nH]1 ZINC000167065745 355952958 /nfs/dbraw/zinc/95/29/58/355952958.db2.gz BHAFZPUFHFDNLW-LLVKDONJSA-N 0 3 240.303 0.908 20 0 BCADHN COC(=O)c1ccc(CN[C@@H](C)CC(N)=O)[nH]1 ZINC000167069921 355953985 /nfs/dbraw/zinc/95/39/85/355953985.db2.gz YMNLZPROYZLOTL-ZETCQYMHSA-N 0 3 239.275 0.155 20 0 BCADHN CCO[C@H]1C[C@@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC000582220457 355954057 /nfs/dbraw/zinc/95/40/57/355954057.db2.gz YRRWGPKSBSEDGD-DCAQKATOSA-N 0 3 228.336 0.866 20 0 BCADHN NC(=O)CCCNC(=O)C1(N)CCCCC1 ZINC000037660250 181221275 /nfs/dbraw/zinc/22/12/75/181221275.db2.gz KVWHHCZOCAFZJI-UHFFFAOYSA-N 0 3 227.308 0.030 20 0 BCADHN CCCN(C)CC(=O)N(CCC)CC(=O)OC ZINC000351159095 355955825 /nfs/dbraw/zinc/95/58/25/355955825.db2.gz AKCBVFMZCKXUQY-UHFFFAOYSA-N 0 3 244.335 0.740 20 0 BCADHN C[C@@H](CO)[C@@H](C)N[C@@H](C)C(=O)N1CCCCC1 ZINC000167113778 355958814 /nfs/dbraw/zinc/95/88/14/355958814.db2.gz CNDDRKZBCGDKIA-TUAOUCFPSA-N 0 3 242.363 0.994 20 0 BCADHN CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000167116080 355958892 /nfs/dbraw/zinc/95/88/92/355958892.db2.gz YHQYCRYFBOAIDY-VDDIYKPWSA-N 0 3 226.320 0.655 20 0 BCADHN NC(=O)CCN(CCCO)Cc1ccccc1 ZINC000073103029 181223058 /nfs/dbraw/zinc/22/30/58/181223058.db2.gz IKBGACAQQHWULZ-UHFFFAOYSA-N 0 3 236.315 0.746 20 0 BCADHN Cc1cn2c(n1)CC[C@H](NC(=O)C(C)(C)N)C2 ZINC000167152885 355961892 /nfs/dbraw/zinc/96/18/92/355961892.db2.gz ADPWBELXHAYIQO-VIFPVBQESA-N 0 3 236.319 0.360 20 0 BCADHN C[C@H]1C[C@H](NC(=O)CC(C)(C)O)CCN1C ZINC000336059354 134067702 /nfs/dbraw/zinc/06/77/02/134067702.db2.gz BGBZEBULQCMRNG-VHSXEESVSA-N 0 3 228.336 0.746 20 0 BCADHN CN(C[C@@H](O)CN1CCOCC12CC2)C1CC1 ZINC000352103849 134067790 /nfs/dbraw/zinc/06/77/90/134067790.db2.gz SAMIGWKNQAKGHT-GFCCVEGCSA-N 0 3 240.347 0.306 20 0 BCADHN C[C@@H](CN[C@H]1CCCOC1)S(C)(=O)=O ZINC000389326630 355966594 /nfs/dbraw/zinc/96/65/94/355966594.db2.gz TVUNWOZVGVKAFC-IUCAKERBSA-N 0 3 221.322 0.188 20 0 BCADHN C[C@H](O)[C@H]1C[C@H](C)CCN1CC(=O)N(C)C ZINC000351624705 356033633 /nfs/dbraw/zinc/03/36/33/356033633.db2.gz ZPFPUZOLOAFYRP-OUAUKWLOSA-N 0 3 228.336 0.556 20 0 BCADHN C[C@H](CO)N(Cc1cnnn1C)C1CCCC1 ZINC000351632269 356036603 /nfs/dbraw/zinc/03/66/03/356036603.db2.gz WZCNWXSLGMMYDW-SNVBAGLBSA-N 0 3 238.335 0.941 20 0 BCADHN NC(=O)CN[C@H]1CCCC[C@H]1n1cccn1 ZINC000128944291 181236408 /nfs/dbraw/zinc/23/64/08/181236408.db2.gz CFYCWJORKGGYGB-VHSXEESVSA-N 0 3 222.292 0.442 20 0 BCADHN CCCN(C)CC(=O)N[C@](C)(CCO)COC ZINC000351648346 356044308 /nfs/dbraw/zinc/04/43/08/356044308.db2.gz GBKBZZOYIDQKMP-GFCCVEGCSA-N 0 3 246.351 0.232 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN1CCCN(C)CC1 ZINC000351672743 356051938 /nfs/dbraw/zinc/05/19/38/356051938.db2.gz OCWFFZYSVDVMQQ-LBPRGKRZSA-N 0 3 241.379 0.785 20 0 BCADHN CN(Cc1cn[nH]c1)[C@H]1CN2CCC1CC2 ZINC000639392293 356052613 /nfs/dbraw/zinc/05/26/13/356052613.db2.gz DOAHCBCQICGGBJ-LBPRGKRZSA-N 0 3 220.320 0.936 20 0 BCADHN CN(C)[C@H](CNC(=O)C1CC(=O)C1)C1CC1 ZINC000351675891 356052907 /nfs/dbraw/zinc/05/29/07/356052907.db2.gz SACJIPCVZBAVNN-LLVKDONJSA-N 0 3 224.304 0.422 20 0 BCADHN NCc1noc([C@@H]2CNCc3ccccc32)n1 ZINC000584350400 356064490 /nfs/dbraw/zinc/06/44/90/356064490.db2.gz HWQPCHSUXDLIDC-SNVBAGLBSA-N 0 3 230.271 0.763 20 0 BCADHN NC(=O)CCN[C@H]1CCc2c1cccc2O ZINC000036852793 181225290 /nfs/dbraw/zinc/22/52/90/181225290.db2.gz WQNOHMBYWLQTBW-JTQLQIEISA-N 0 3 220.272 0.845 20 0 BCADHN NC(=O)CCNC[C@@H](O)c1c(F)cccc1F ZINC000037891645 181225308 /nfs/dbraw/zinc/22/53/08/181225308.db2.gz JPCGKNAKPHQYRK-SECBINFHSA-N 0 3 244.241 0.463 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCC[C@H]1C1CCC1 ZINC000353141656 356008691 /nfs/dbraw/zinc/00/86/91/356008691.db2.gz GOLWUBCRSAVKGI-QWRGUYRKSA-N 0 3 226.320 0.751 20 0 BCADHN C[C@H](CO)N(CC(=O)NC1CC1)C1CCCC1 ZINC000351526317 356009308 /nfs/dbraw/zinc/00/93/08/356009308.db2.gz WMKUDVKQKSLJIF-SNVBAGLBSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@H]1CCN(CC(=O)N[C@H]2Cc3cncn3C2)C1 ZINC000623258226 356065148 /nfs/dbraw/zinc/06/51/48/356065148.db2.gz LCUCYVPFSSNFPA-QWRGUYRKSA-N 0 3 248.330 0.266 20 0 BCADHN CNC(=O)[C@@H]1CCCN(Cc2ccnc(C)n2)C1 ZINC000351592692 356025054 /nfs/dbraw/zinc/02/50/54/356025054.db2.gz ALFMBAPCQMQSAW-LLVKDONJSA-N 0 3 248.330 0.743 20 0 BCADHN CNC(=O)[C@H]1CCCN(Cc2ccnc(C)n2)C1 ZINC000351592693 356025219 /nfs/dbraw/zinc/02/52/19/356025219.db2.gz ALFMBAPCQMQSAW-NSHDSACASA-N 0 3 248.330 0.743 20 0 BCADHN COC1(C(=O)NC2CCN(C)CC2)CCC1 ZINC000335906353 356105445 /nfs/dbraw/zinc/10/54/45/356105445.db2.gz XCJRRBUPWDQQLL-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CCN(C(=O)[C@@H](O)C(C)C)[C@@H]1CCN(C)C1 ZINC000617551231 356106542 /nfs/dbraw/zinc/10/65/42/356106542.db2.gz NSCGCKYHSODLBO-MNOVXSKESA-N 0 3 228.336 0.556 20 0 BCADHN CCN(C(=O)[C@H](C)CC(N)=O)[C@H]1CCN(C)C1 ZINC000617551650 356108311 /nfs/dbraw/zinc/10/83/11/356108311.db2.gz WNPXAXNTFJXMOA-ZJUUUORDSA-N 0 3 241.335 0.051 20 0 BCADHN CCN(C(=O)C1=CCOCC1)[C@H]1CCN(C)C1 ZINC000617552703 356108517 /nfs/dbraw/zinc/10/85/17/356108517.db2.gz SZJHOFAVPSWNDC-LBPRGKRZSA-N 0 3 238.331 0.886 20 0 BCADHN CCN(C(=O)[C@@H]1CCO[C@H]1C)[C@@H]1CCN(C)C1 ZINC000617552856 356109037 /nfs/dbraw/zinc/10/90/37/356109037.db2.gz WLAMWRVYZQEHSW-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN CCN(C(=O)c1c[nH]c(C)n1)[C@H]1CCN(C)C1 ZINC000617554553 356109982 /nfs/dbraw/zinc/10/99/82/356109982.db2.gz FOCQYYYCDICIAU-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN CCN(C(=O)c1cnc(C)[nH]1)[C@H]1CCN(C)C1 ZINC000617554553 356109985 /nfs/dbraw/zinc/10/99/85/356109985.db2.gz FOCQYYYCDICIAU-JTQLQIEISA-N 0 3 236.319 0.884 20 0 BCADHN CCN(C(=O)[C@H](C)N(C)C)[C@H]1CCN(C)C1 ZINC000617553550 356110965 /nfs/dbraw/zinc/11/09/65/356110965.db2.gz KLRJHCCBJYORRN-QWRGUYRKSA-N 0 3 227.352 0.489 20 0 BCADHN CCN(C(=O)[C@@H]1CCOC1)[C@H]1CCN(C)C1 ZINC000617556183 356111085 /nfs/dbraw/zinc/11/10/85/356111085.db2.gz LDHVYRMNQDUUON-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN CN(C[C@@H]1CCCC[C@@H]1O)[C@@]1(CO)CCOC1 ZINC000584353848 356111903 /nfs/dbraw/zinc/11/19/03/356111903.db2.gz RVBRBIWBCDUEQQ-RWMBFGLXSA-N 0 3 243.347 0.621 20 0 BCADHN CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCN(C)C1 ZINC000617555107 356112033 /nfs/dbraw/zinc/11/20/33/356112033.db2.gz PZRFTTSESBFCKY-RYUDHWBXSA-N 0 3 239.363 0.633 20 0 BCADHN CCN(C(=O)C[C@@H]1CCOC1)[C@@H]1CCN(C)C1 ZINC000617554871 356112148 /nfs/dbraw/zinc/11/21/48/356112148.db2.gz LQSAEUMHKGQLLG-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(C(=O)[C@H](C)OC)[C@@H]1CCN(C)C1 ZINC000617555946 356113062 /nfs/dbraw/zinc/11/30/62/356113062.db2.gz GOGJRCAYMOVSNH-VHSXEESVSA-N 0 3 214.309 0.574 20 0 BCADHN CC[C@H](OC)C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000617556838 356113976 /nfs/dbraw/zinc/11/39/76/356113976.db2.gz YWGDSFOUZSANEB-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H](F)CCN1CCC[C@@H]1CS(N)(=O)=O ZINC000351881502 356116356 /nfs/dbraw/zinc/11/63/56/356116356.db2.gz MJNCUDBNQCBRLM-RKDXNWHRSA-N 0 3 238.328 0.487 20 0 BCADHN CN(Cc1nccn1C)[C@@H]1CN2CCC1CC2 ZINC000639398587 356118312 /nfs/dbraw/zinc/11/83/12/356118312.db2.gz RHKPLJYORXNTSW-GFCCVEGCSA-N 0 3 234.347 0.946 20 0 BCADHN C[C@H](F)CCN(C)C[C@@H](O)CN1CCOCC1 ZINC000351882141 356119751 /nfs/dbraw/zinc/11/97/51/356119751.db2.gz PBIOUDSPLYNVFX-NWDGAFQWSA-N 0 3 248.342 0.359 20 0 BCADHN C[C@@H](F)CCN(C)C[C@H](O)CN1CCOCC1 ZINC000351882139 356119822 /nfs/dbraw/zinc/11/98/22/356119822.db2.gz PBIOUDSPLYNVFX-NEPJUHHUSA-N 0 3 248.342 0.359 20 0 BCADHN C[C@@H](F)CCN(C)CC(C)(CO)CO ZINC000351883074 356125175 /nfs/dbraw/zinc/12/51/75/356125175.db2.gz RZSJPLPCLMHDSI-SECBINFHSA-N 0 3 207.289 0.657 20 0 BCADHN Cc1ncc(CN[C@H]2CCCC[C@@H]2C(N)=O)cn1 ZINC000351733654 356073997 /nfs/dbraw/zinc/07/39/97/356073997.db2.gz COIISLQADBVGQP-RYUDHWBXSA-N 0 3 248.330 0.919 20 0 BCADHN NC(=O)C[C@H]1CCN(C/C=C/Cl)C1 ZINC000377602638 181246058 /nfs/dbraw/zinc/24/60/58/181246058.db2.gz FQEPOOKGWZTMRE-YUQHSTNDSA-N 0 3 202.685 0.936 20 0 BCADHN C[C@@H](NCCn1cccn1)c1ccnn1C ZINC000192250675 356078576 /nfs/dbraw/zinc/07/85/76/356078576.db2.gz PQAUBKYRAQVXJL-SNVBAGLBSA-N 0 3 219.292 0.967 20 0 BCADHN CC[C@@H](O)CC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000617550560 356093397 /nfs/dbraw/zinc/09/33/97/356093397.db2.gz XHWDUSJHUDTWJM-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H]1[C@H](C)N(Cc2cnn(C)c2)CCN1C ZINC000335911999 356127912 /nfs/dbraw/zinc/12/79/12/356127912.db2.gz ANYHXBROJIPQID-MNOVXSKESA-N 0 3 222.336 0.945 20 0 BCADHN CC[C@H](CNC(=O)N1C[C@@H](C)NC[C@@H]1C)OC ZINC000418231044 192002141 /nfs/dbraw/zinc/00/21/41/192002141.db2.gz FOLGCVHOBZKOPF-OUAUKWLOSA-N 0 3 243.351 0.803 20 0 BCADHN CC[C@H](CNC(=O)N1CCN[C@@H](C)[C@@H]1C)OC ZINC000418231538 192002156 /nfs/dbraw/zinc/00/21/56/192002156.db2.gz GNIRDOSHVXVWOZ-GARJFASQSA-N 0 3 243.351 0.803 20 0 BCADHN NC(=O)NC(=O)CCN1CCC12CCC2 ZINC000336530910 181252491 /nfs/dbraw/zinc/25/24/91/181252491.db2.gz IMGBVLQRYBEIEA-UHFFFAOYSA-N 0 3 211.265 0.200 20 0 BCADHN CC/C=C/CNC(=O)NC[C@@H]1CNCCO1 ZINC000418265238 192008975 /nfs/dbraw/zinc/00/89/75/192008975.db2.gz KUKYBEVUIHBILZ-FSIBCCDJSA-N 0 3 227.308 0.240 20 0 BCADHN C[C@@H](CF)NC(=O)NC1CCN(C)CC1 ZINC000335916714 356159435 /nfs/dbraw/zinc/15/94/35/356159435.db2.gz JUDYEHUZPNUOMH-QMMMGPOBSA-N 0 3 217.288 0.738 20 0 BCADHN NC(=O)NC(=O)CN1CCC[C@@H]1C1CCCC1 ZINC000048659371 181254459 /nfs/dbraw/zinc/25/44/59/181254459.db2.gz LBHLMPVOPQRSCF-SNVBAGLBSA-N 0 3 239.319 0.836 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)C[C@H]1CCOC1 ZINC000336093868 134079326 /nfs/dbraw/zinc/07/93/26/134079326.db2.gz MEDONZDZKGNMIZ-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CN(C)CCOC1CCN(C(=O)C2CC2)CC1 ZINC000351901969 356172578 /nfs/dbraw/zinc/17/25/78/356172578.db2.gz YGYVFYDWWJWYLA-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H]1CSCCN(CC(=O)N2CCC2)C1 ZINC000336094832 134079723 /nfs/dbraw/zinc/07/97/23/134079723.db2.gz YLNAIHOICPVCDD-SNVBAGLBSA-N 0 3 228.361 0.904 20 0 BCADHN CN(Cc1cncn1C)[C@H]1CN2CCC1CC2 ZINC000639400225 356137479 /nfs/dbraw/zinc/13/74/79/356137479.db2.gz ZMTBOKSGIJMAJC-ZDUSSCGKSA-N 0 3 234.347 0.946 20 0 BCADHN CC[C@H](C(=O)N1C[C@H](C)[C@H](O)C1)N(C)C ZINC000351887366 356146673 /nfs/dbraw/zinc/14/66/73/356146673.db2.gz BJGLDCWWRMQASG-IVZWLZJFSA-N 0 3 214.309 0.166 20 0 BCADHN CC[C@@H](O)C[N@@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000332388364 356212284 /nfs/dbraw/zinc/21/22/84/356212284.db2.gz QQHAUXLNXVVKDG-DTWKUNHWSA-N 0 3 210.281 0.365 20 0 BCADHN CC[C@@H](O)C[N@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000332388364 356212289 /nfs/dbraw/zinc/21/22/89/356212289.db2.gz QQHAUXLNXVVKDG-DTWKUNHWSA-N 0 3 210.281 0.365 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN(C)CC(=O)N1CCCC1 ZINC000639433656 356212499 /nfs/dbraw/zinc/21/24/99/356212499.db2.gz UVZFWWSMSHCJSQ-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN O=c1cc(CN2CCC[C@@H](O)C2)cc[nH]1 ZINC000639443973 356220750 /nfs/dbraw/zinc/22/07/50/356220750.db2.gz AOYKVUSDGTYBJH-SNVBAGLBSA-N 0 3 208.261 0.744 20 0 BCADHN NC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000340566845 181259666 /nfs/dbraw/zinc/25/96/66/181259666.db2.gz RKJAEELDSXWRAV-NWDGAFQWSA-N 0 3 249.314 0.290 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN(C)CC(=O)NC1CC1 ZINC000639446916 356226962 /nfs/dbraw/zinc/22/69/62/356226962.db2.gz WWHXFRTYYLAVLD-VHSXEESVSA-N 0 3 226.320 0.622 20 0 BCADHN CN(C)CCNC(=O)c1cc(C(F)F)n[nH]1 ZINC000639449240 356230109 /nfs/dbraw/zinc/23/01/09/356230109.db2.gz WLEAYTHHJXDDFG-UHFFFAOYSA-N 0 3 232.234 0.639 20 0 BCADHN OCCN(C[C@H]1CCc2ncnn21)C1CC1 ZINC000639451573 356231181 /nfs/dbraw/zinc/23/11/81/356231181.db2.gz RKZVLPMSWHECIG-SNVBAGLBSA-N 0 3 222.292 0.222 20 0 BCADHN CCN(C[C@H](C)O)C(=O)NC[C@@H]1CCCN1C ZINC000351908725 356182686 /nfs/dbraw/zinc/18/26/86/356182686.db2.gz LBMRELLHSKDGQR-QWRGUYRKSA-N 0 3 243.351 0.493 20 0 BCADHN CC[C@H](C)CN1CCOC[C@H]1CC(N)=O ZINC000449767095 202027539 /nfs/dbraw/zinc/02/75/39/202027539.db2.gz CZUPFYHIRALUTA-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN CC1(C)CCCN1CCNC(=O)C1(O)CCC1 ZINC000331624863 356201629 /nfs/dbraw/zinc/20/16/29/356201629.db2.gz RLUXALNSMKMMQP-UHFFFAOYSA-N 0 3 240.347 0.892 20 0 BCADHN C[C@H]1CNCCN1c1cncc(-n2cccn2)n1 ZINC000420219720 192193548 /nfs/dbraw/zinc/19/35/48/192193548.db2.gz RYMXZSFTZZTZKW-JTQLQIEISA-N 0 3 244.302 0.460 20 0 BCADHN Cc1[nH]ccc1C(=O)N1CCCNCC1 ZINC000261544516 491088909 /nfs/dbraw/zinc/08/89/09/491088909.db2.gz IXQUGLFPZGNFKJ-UHFFFAOYSA-N 0 3 207.277 0.759 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCc3ncnn32)CCCO1 ZINC000639472697 356262421 /nfs/dbraw/zinc/26/24/21/356262421.db2.gz RSHJUZCHGZDCKF-MNOVXSKESA-N 0 3 236.319 0.876 20 0 BCADHN CN(C)C1(CNC(=O)Nc2cnn(C)c2)CC1 ZINC000639473335 356265568 /nfs/dbraw/zinc/26/55/68/356265568.db2.gz ZGDSNKFEUTWHKP-UHFFFAOYSA-N 0 3 237.307 0.636 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCNC(=O)CC1 ZINC000639473388 356265949 /nfs/dbraw/zinc/26/59/49/356265949.db2.gz BVCMVXJKFPXVBQ-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN CC(C)c1noc(N2CCN[C@H](C)C2)n1 ZINC000420239018 192182764 /nfs/dbraw/zinc/18/27/64/192182764.db2.gz LOCPOISIGXWYMI-MRVPVSSYSA-N 0 3 210.281 0.991 20 0 BCADHN C[C@H]1CC[C@H](C(N)=O)CN1CCc1cnccn1 ZINC000639473293 356266134 /nfs/dbraw/zinc/26/61/34/356266134.db2.gz ALVXMPSTPCGXEG-QWRGUYRKSA-N 0 3 248.330 0.605 20 0 BCADHN CC(C)c1noc(N2CCN[C@@H](C)C2)n1 ZINC000420237278 192183228 /nfs/dbraw/zinc/18/32/28/192183228.db2.gz LOCPOISIGXWYMI-QMMMGPOBSA-N 0 3 210.281 0.991 20 0 BCADHN COC[C@@H](NCC(C)(C)S(C)(=O)=O)C1CC1 ZINC000087481773 491089037 /nfs/dbraw/zinc/08/90/37/491089037.db2.gz FMLUYFBITGKZBC-SNVBAGLBSA-N 0 3 249.376 0.824 20 0 BCADHN CC1(C)CO[C@@H](CN(CCO)CCO)C1 ZINC000639474705 356269480 /nfs/dbraw/zinc/26/94/80/356269480.db2.gz RGCWXQQIDQOIAR-SNVBAGLBSA-N 0 3 217.309 0.088 20 0 BCADHN CCN(CCO)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000639475453 356270154 /nfs/dbraw/zinc/27/01/54/356270154.db2.gz YNAIOJKKZUFGHC-NWDGAFQWSA-N 0 3 231.336 0.213 20 0 BCADHN Cc1nc2ccc(N3CCN[C@H](C)C3)nn2n1 ZINC000420241644 192184508 /nfs/dbraw/zinc/18/45/08/192184508.db2.gz SQOFZUIJIVEFEM-MRVPVSSYSA-N 0 3 232.291 0.231 20 0 BCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC/C=C/CO ZINC000617688095 356277924 /nfs/dbraw/zinc/27/79/24/356277924.db2.gz NBSSCGGMFUVHGJ-YIZUVKHSSA-N 0 3 226.320 0.524 20 0 BCADHN C[C@H](C(=O)NC/C=C\CO)N1CCCCCC1 ZINC000617688645 356279696 /nfs/dbraw/zinc/27/96/96/356279696.db2.gz XXNODGKBFCKFSV-DJFZKKHWSA-N 0 3 240.347 0.916 20 0 BCADHN OC[C@H]1CCCCN1C[C@@H]1CCc2ncnn21 ZINC000639453096 356237086 /nfs/dbraw/zinc/23/70/86/356237086.db2.gz YWGGXJLZUKWHGB-WDEREUQCSA-N 0 3 236.319 0.612 20 0 BCADHN OC[C@@H]1CCCCN1C[C@H]1CCc2ncnn21 ZINC000639453090 356237108 /nfs/dbraw/zinc/23/71/08/356237108.db2.gz YWGGXJLZUKWHGB-MNOVXSKESA-N 0 3 236.319 0.612 20 0 BCADHN CCNC(=O)CN(C)C[C@H]1CCO[C@@H]1C ZINC000639455011 356239655 /nfs/dbraw/zinc/23/96/55/356239655.db2.gz LIRZJBOJZWRVCC-NXEZZACHSA-N 0 3 214.309 0.479 20 0 BCADHN CCNC(=O)CN(C)C[C@H]1CCO[C@H]1C ZINC000639455014 356239670 /nfs/dbraw/zinc/23/96/70/356239670.db2.gz LIRZJBOJZWRVCC-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN CC[C@@H]1C(=O)NCCN1C[C@@H]1CCO[C@H]1C ZINC000639495429 356321713 /nfs/dbraw/zinc/32/17/13/356321713.db2.gz HCXHMKMOGVEDSJ-GARJFASQSA-N 0 3 226.320 0.622 20 0 BCADHN CN1CC[C@@H](C(=O)N2CCOCC23CCC3)C1 ZINC000336120612 134091300 /nfs/dbraw/zinc/09/13/00/134091300.db2.gz JNQJWLUSTKSGPE-LLVKDONJSA-N 0 3 238.331 0.720 20 0 BCADHN CN(CCc1cncn1C)[C@@H]1CCOC1 ZINC000639481845 356296970 /nfs/dbraw/zinc/29/69/70/356296970.db2.gz GFOBHZNGVDYHHI-LLVKDONJSA-N 0 3 209.293 0.683 20 0 BCADHN CC(C)[C@@H]1C(=O)NCCN1C[C@@H]1CCO[C@H]1C ZINC000639483376 356297748 /nfs/dbraw/zinc/29/77/48/356297748.db2.gz TTXNGAPNGDXVPQ-SDDRHHMPSA-N 0 3 240.347 0.868 20 0 BCADHN CN(CCn1cccn1)C[C@H]1CCc2ncnn21 ZINC000639486765 356301877 /nfs/dbraw/zinc/30/18/77/356301877.db2.gz RQEMFBIVEWUKRL-LLVKDONJSA-N 0 3 246.318 0.594 20 0 BCADHN CCN(C)CCNC(=O)NCCC1(O)CCC1 ZINC000352165877 134090166 /nfs/dbraw/zinc/09/01/66/134090166.db2.gz KBCJXABYNJIIJO-UHFFFAOYSA-N 0 3 243.351 0.542 20 0 BCADHN NC(=O)[C@@H](Cc1ccccc1)NC[C@@H]1CCCO1 ZINC000037942975 181264612 /nfs/dbraw/zinc/26/46/12/181264612.db2.gz HDNYHSMZDBCFAD-QWHCGFSZSA-N 0 3 248.326 0.852 20 0 BCADHN O=C1[C@H](N2CC[C@@H](CO)C2)CCN1C1CCC1 ZINC000639495034 356321126 /nfs/dbraw/zinc/32/11/26/356321126.db2.gz MRQNFVSDGFPCNU-ZYHUDNBSSA-N 0 3 238.331 0.454 20 0 BCADHN CCc1ccc([C@@H]2CNCCN2CC(N)=O)cc1 ZINC000420313848 192213277 /nfs/dbraw/zinc/21/32/77/192213277.db2.gz KGGYSUCYIBNDBD-ZDUSSCGKSA-N 0 3 247.342 0.681 20 0 BCADHN COC(=O)CCN1CCNC[C@@](C)(F)C1 ZINC000420339224 192215730 /nfs/dbraw/zinc/21/57/30/192215730.db2.gz SDDWSEKXEPYMJV-SNVBAGLBSA-N 0 3 218.272 0.183 20 0 BCADHN CCOC(=O)[C@@H](C)N1CCNC[C@@](C)(F)C1 ZINC000420337636 192215790 /nfs/dbraw/zinc/21/57/90/192215790.db2.gz RGAMZXNGNQGIPL-MWLCHTKSSA-N 0 3 232.299 0.571 20 0 BCADHN CCN(C)C(=O)CCN1CCNC[C@](C)(F)C1 ZINC000420341538 192216571 /nfs/dbraw/zinc/21/65/71/192216571.db2.gz UZTWGEAIFNSGGJ-LBPRGKRZSA-N 0 3 245.342 0.488 20 0 BCADHN CO[C@H]1CCN(CCc2cnccn2)C1 ZINC000639510790 356344446 /nfs/dbraw/zinc/34/44/46/356344446.db2.gz HQTGHLWVJMZHJV-NSHDSACASA-N 0 3 207.277 0.740 20 0 BCADHN CC(C)NC(=O)CN1CC[C@@H](O)C12CCCC2 ZINC000336138929 134096869 /nfs/dbraw/zinc/09/68/69/134096869.db2.gz WKKIHFAAMBUATL-LLVKDONJSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1C[C@@H](CO)OC[C@H]1C ZINC000639519217 356363732 /nfs/dbraw/zinc/36/37/32/356363732.db2.gz PRUSBYBQHBFAFO-KXNHARMFSA-N 0 3 229.320 0.493 20 0 BCADHN CCc1ccc([C@H]2CNCCN2CC(N)=O)cc1 ZINC000420313844 192212574 /nfs/dbraw/zinc/21/25/74/192212574.db2.gz KGGYSUCYIBNDBD-CYBMUJFWSA-N 0 3 247.342 0.681 20 0 BCADHN C[C@@H](N)C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000040834436 358503834 /nfs/dbraw/zinc/50/38/34/358503834.db2.gz OIBGTSWPVNKTEG-SNVBAGLBSA-N 0 3 244.298 0.836 20 0 BCADHN NC(=O)[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000131049644 181269317 /nfs/dbraw/zinc/26/93/17/181269317.db2.gz VPLJNSZXKVPNNT-LLVKDONJSA-N 0 3 219.288 0.779 20 0 BCADHN NC(=O)[C@@H]1CCN(Cc2cccc3c2OCO3)C1 ZINC000157112248 181270371 /nfs/dbraw/zinc/27/03/71/181270371.db2.gz DXIIXKYTOZVTDV-SNVBAGLBSA-N 0 3 248.282 0.723 20 0 BCADHN CCc1nc(CN2CCNC[C@](C)(F)C2)no1 ZINC000420329660 192229084 /nfs/dbraw/zinc/22/90/84/192229084.db2.gz KLXHCYUBOOXYHZ-NSHDSACASA-N 0 3 242.298 0.765 20 0 BCADHN CN[C@@H](CC(C)(C)C)C(=O)NCC(=O)N(C)C ZINC000395705761 356380827 /nfs/dbraw/zinc/38/08/27/356380827.db2.gz DDPJXIBLLHBMEF-VIFPVBQESA-N 0 3 243.351 0.215 20 0 BCADHN CCOCCN1CCNC[C@](C)(F)C1 ZINC000420327707 192230490 /nfs/dbraw/zinc/23/04/90/192230490.db2.gz DQRCHDUQZMVLSH-JTQLQIEISA-N 0 3 204.289 0.656 20 0 BCADHN CCN(CC)C(=O)CN1CCNC[C@](C)(F)C1 ZINC000420329356 192230496 /nfs/dbraw/zinc/23/04/96/192230496.db2.gz JRKDBYFZTGTHRE-LBPRGKRZSA-N 0 3 245.342 0.488 20 0 BCADHN CN(CCN1C(=O)CCC1=O)[C@@H]1CCCOC1 ZINC000352186287 134099658 /nfs/dbraw/zinc/09/96/58/134099658.db2.gz KUOJRPZGOPFOTR-SNVBAGLBSA-N 0 3 240.303 0.246 20 0 BCADHN NC(=O)[C@@H]1CN(CCCF)C[C@H]1C(F)(F)F ZINC000375510229 181272419 /nfs/dbraw/zinc/27/24/19/181272419.db2.gz HEQARWUEQAIGHF-RNFRBKRXSA-N 0 3 242.216 0.942 20 0 BCADHN CNC(=O)N1CCN(C[C@@H]2CCO[C@H]2C)CC1 ZINC000639535811 356388196 /nfs/dbraw/zinc/38/81/96/356388196.db2.gz ITTZCXOYQKDGHL-QWRGUYRKSA-N 0 3 241.335 0.368 20 0 BCADHN CC(C)(C)[C@H](NCCc1cnccn1)C(N)=O ZINC000639536886 356389357 /nfs/dbraw/zinc/38/93/57/356389357.db2.gz SEFIGJIXGMRDIE-SNVBAGLBSA-N 0 3 236.319 0.509 20 0 BCADHN CCN1CCC[C@@H]1CS(=O)(=O)NC ZINC000336554289 356390579 /nfs/dbraw/zinc/39/05/79/356390579.db2.gz SQRQYKHYGWBRTB-MRVPVSSYSA-N 0 3 206.311 0.020 20 0 BCADHN CC(C)CN1CCC(S(N)(=O)=O)CC1 ZINC000336595304 356396578 /nfs/dbraw/zinc/39/65/78/356396578.db2.gz PRXMUGCYNDUUME-UHFFFAOYSA-N 0 3 220.338 0.395 20 0 BCADHN CCCCNC(=O)[C@H](C)N(CC)C[C@@H](C)O ZINC000352194200 134098372 /nfs/dbraw/zinc/09/83/72/134098372.db2.gz IPQFPRAKVBIDBP-MNOVXSKESA-N 0 3 230.352 0.994 20 0 BCADHN CC(C)CNC(=O)[C@H](C)N(C)[C@@H]1CCC[C@H]1O ZINC000352660419 356399215 /nfs/dbraw/zinc/39/92/15/356399215.db2.gz RTCUYJVCEWLDJS-QJPTWQEYSA-N 0 3 242.363 0.992 20 0 BCADHN 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COC1CC(N(C)CCN2CCO[C@@H](C)C2)C1 ZINC000352200842 134100347 /nfs/dbraw/zinc/10/03/47/134100347.db2.gz BYXZTTWHKHNVRJ-HIFPTAJRSA-N 0 3 242.363 0.816 20 0 BCADHN Cn1cncc1CCN1CCc2c[nH]nc2C1 ZINC000639544243 356407682 /nfs/dbraw/zinc/40/76/82/356407682.db2.gz HQTFXJLJPQKRMN-UHFFFAOYSA-N 0 3 231.303 0.744 20 0 BCADHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@@H]1CCCO1 ZINC000368971778 181275861 /nfs/dbraw/zinc/27/58/61/181275861.db2.gz DBQUIMYJHKRUDA-YFKTTZPYSA-N 0 3 238.331 0.751 20 0 BCADHN CN(CCc1cncn1C)CCc1cnccn1 ZINC000639559010 356464976 /nfs/dbraw/zinc/46/49/76/356464976.db2.gz NBYWSCVZBLQKCC-UHFFFAOYSA-N 0 3 245.330 0.927 20 0 BCADHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCn1cccn1 ZINC000364957825 181276230 /nfs/dbraw/zinc/27/62/30/181276230.db2.gz WDRWCPLLLIABBH-SRVKXCTJSA-N 0 3 248.330 0.469 20 0 BCADHN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccccn1 ZINC000390409245 356463087 /nfs/dbraw/zinc/46/30/87/356463087.db2.gz DAAAYUTYYVMWIX-QMMMGPOBSA-N 0 3 229.305 0.097 20 0 BCADHN 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ZINC000355747721 181281848 /nfs/dbraw/zinc/28/18/48/181281848.db2.gz SHHRHVRVMHFUME-LLVKDONJSA-N 0 3 225.336 0.422 20 0 BCADHN NC(=O)[C@H]1CCN(Cc2ccncc2)C1 ZINC000154969056 181283568 /nfs/dbraw/zinc/28/35/68/181283568.db2.gz QKZJFACAWCYVMI-JTQLQIEISA-N 0 3 205.261 0.389 20 0 BCADHN NC(=O)[C@H]1CCN(Cc2cccnc2)C1 ZINC000124925900 181283687 /nfs/dbraw/zinc/28/36/87/181283687.db2.gz NHYSIGNDDDHWJW-JTQLQIEISA-N 0 3 205.261 0.389 20 0 BCADHN NC(=O)C1(NCCc2ccccn2)CC1 ZINC000639572794 356496084 /nfs/dbraw/zinc/49/60/84/356496084.db2.gz ULEXHRGJTQXMTG-UHFFFAOYSA-N 0 3 205.261 0.232 20 0 BCADHN COC[C@H]1CCN(CC(=O)N2CCCCC2)C1 ZINC000352233437 134113993 /nfs/dbraw/zinc/11/39/93/134113993.db2.gz BZPAQFDXXGWDMO-LBPRGKRZSA-N 0 3 240.347 0.967 20 0 BCADHN CC(C)[C@@H](CO)NCC(=O)Nc1ccccn1 ZINC000639575045 356497139 /nfs/dbraw/zinc/49/71/39/356497139.db2.gz CHBAKDURKUVOQU-SNVBAGLBSA-N 0 3 237.303 0.627 20 0 BCADHN NC(=O)[C@]1(O)CCN(Cc2ccc(F)cc2)C1 ZINC000276482397 181284384 /nfs/dbraw/zinc/28/43/84/181284384.db2.gz SKIPVTLJBOZNIF-LBPRGKRZSA-N 0 3 238.262 0.248 20 0 BCADHN C[C@@H](NC[C@@H]1CCc2ncnn21)c1cnn(C)c1 ZINC000639579632 356500786 /nfs/dbraw/zinc/50/07/86/356500786.db2.gz FDVPBMMDZRDVOW-KOLCDFICSA-N 0 3 246.318 0.850 20 0 BCADHN c1nc2n(n1)[C@@H](CN1CCOCC3(CC3)C1)CC2 ZINC000639575592 356502818 /nfs/dbraw/zinc/50/28/18/356502818.db2.gz GBCZUHCNUFXUNQ-LLVKDONJSA-N 0 3 248.330 0.878 20 0 BCADHN CN1CCOC[C@@H]1CNCc1cccnc1 ZINC000623711119 356505611 /nfs/dbraw/zinc/50/56/11/356505611.db2.gz VIEWHZIMUOUIDI-LBPRGKRZSA-N 0 3 221.304 0.502 20 0 BCADHN C[C@H]1CCN(C(=O)C2CCN(C)CC2)[C@H]1CO ZINC000336171791 134115711 /nfs/dbraw/zinc/11/57/11/134115711.db2.gz UNWHBJCOQIITBF-JQWIXIFHSA-N 0 3 240.347 0.558 20 0 BCADHN C[C@]1(CO)CCCN1CCc1cnccn1 ZINC000639585522 356508183 /nfs/dbraw/zinc/50/81/83/356508183.db2.gz JGHMOAMPVFMFDM-GFCCVEGCSA-N 0 3 221.304 0.866 20 0 BCADHN CCN1CCCN(c2ncnc3n[nH]cc32)CC1 ZINC000301227914 356511382 /nfs/dbraw/zinc/51/13/82/356511382.db2.gz 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245.319 0.146 20 0 BCADHN Cc1cn[nH]c1CN1CCN(CCO)C[C@H]1C ZINC000449785376 202033970 /nfs/dbraw/zinc/03/39/70/202033970.db2.gz FYMFKNPOOAXSSB-LLVKDONJSA-N 0 3 238.335 0.217 20 0 BCADHN C[C@@H]1C[C@@H]1CN1CCN(CCO)C[C@H]1C ZINC000449785428 202034557 /nfs/dbraw/zinc/03/45/57/202034557.db2.gz GJDHSYYYFIHIRE-IJLUTSLNSA-N 0 3 212.337 0.641 20 0 BCADHN Cc1ccncc1CN(C[C@@H](O)CO)C(C)C ZINC000421008690 192299614 /nfs/dbraw/zinc/29/96/14/192299614.db2.gz ZFLMQSFZKSUOGD-CYBMUJFWSA-N 0 3 238.331 0.954 20 0 BCADHN CC[C@H](N[C@@H]1CSC[C@@H]1C)C(=O)NC ZINC000449780771 202035201 /nfs/dbraw/zinc/03/52/01/202035201.db2.gz VOUTWDRFYWNTDQ-XHNCKOQMSA-N 0 3 216.350 0.852 20 0 BCADHN Cn1cc(CNCCN2CCCC2(C)C)nn1 ZINC000449781585 202036397 /nfs/dbraw/zinc/03/63/97/202036397.db2.gz IQUUOACNSDQBSJ-UHFFFAOYSA-N 0 3 237.351 0.779 20 0 BCADHN CCSCCN1CCN(CCO)C[C@@H]1C ZINC000449787996 202036773 /nfs/dbraw/zinc/03/67/73/202036773.db2.gz XBFDGLSKWKGXBI-NSHDSACASA-N 0 3 232.393 0.738 20 0 BCADHN CCSCCN1CCN(CCO)C[C@H]1C 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ZINC000639835780 356826502 /nfs/dbraw/zinc/82/65/02/356826502.db2.gz GXPJUMVBZABILS-LLVKDONJSA-N 0 3 243.347 0.478 20 0 BCADHN c1cnc(CCN2CC[C@H]3COC[C@@H]3C2)cn1 ZINC000639861687 356868202 /nfs/dbraw/zinc/86/82/02/356868202.db2.gz BYURPGRONRXJGP-RYUDHWBXSA-N 0 3 233.315 0.987 20 0 BCADHN CC[C@@H](O)CCCNC(=O)N[C@@H](C)CN(C)C ZINC000358501006 356869454 /nfs/dbraw/zinc/86/94/54/356869454.db2.gz MYFDCFKWPKMWCB-WDEREUQCSA-N 0 3 245.367 0.787 20 0 BCADHN c1nc2n(n1)[C@H](CN1CC[C@@H]3COC[C@@H]3C1)CC2 ZINC000639862346 356870611 /nfs/dbraw/zinc/87/06/11/356870611.db2.gz JABVCFAPVIJUFN-WOPDTQHZSA-N 0 3 248.330 0.734 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000385034664 356871161 /nfs/dbraw/zinc/87/11/61/356871161.db2.gz YQBCTJHWFKVFLU-AATLWQCWSA-N 0 3 246.376 0.749 20 0 BCADHN CN(C)CCNC(=O)c1nn(C)cc1Cl ZINC000623370279 356872762 /nfs/dbraw/zinc/87/27/62/356872762.db2.gz CWOBUTRDYNPKAX-UHFFFAOYSA-N 0 3 230.699 0.365 20 0 BCADHN c1cnc(CCN2CCC3(COC3)C2)cn1 ZINC000639864247 356874869 /nfs/dbraw/zinc/87/48/69/356874869.db2.gz WVWMJWDOMZIZCL-UHFFFAOYSA-N 0 3 219.288 0.741 20 0 BCADHN CC[C@@H](O)CCNC(=O)NCCN(C)C1CC1 ZINC000359074225 356883317 /nfs/dbraw/zinc/88/33/17/356883317.db2.gz WWZQEZAQBSNVMK-LLVKDONJSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@H]1[C@@H](NC(=O)C2CC(C)(O)C2)CCCN1C ZINC000450546801 202193580 /nfs/dbraw/zinc/19/35/80/202193580.db2.gz KZOIYSWUUAXUCE-URAGZPLESA-N 0 3 240.347 0.746 20 0 BCADHN CCc1nc(C(=O)NC[C@H](C)N(C)C)no1 ZINC000359278337 356887559 /nfs/dbraw/zinc/88/75/59/356887559.db2.gz YFSFGCLJQCGJIG-ZETCQYMHSA-N 0 3 226.280 0.312 20 0 BCADHN CC(C)OCCN1C[C@H](O)C[C@@]1(C)CO ZINC000639847479 356843563 /nfs/dbraw/zinc/84/35/63/356843563.db2.gz BMKJLMCPAOVTCY-MNOVXSKESA-N 0 3 217.309 0.229 20 0 BCADHN CC(C)(C)OCCN1C[C@H](O)C[C@]1(C)CO ZINC000639847928 356845082 /nfs/dbraw/zinc/84/50/82/356845082.db2.gz DLNFCOPXRHARBF-ZYHUDNBSSA-N 0 3 231.336 0.619 20 0 BCADHN Cc1cc(CN2C[C@@H](O)C[C@@]2(C)CO)ccn1 ZINC000639847967 356845135 /nfs/dbraw/zinc/84/51/35/356845135.db2.gz IYDVNVZSMRTOKG-STQMWFEESA-N 0 3 236.315 0.708 20 0 BCADHN Cc1ncsc1CN1C[C@H](O)C[C@@]1(C)CO ZINC000639847903 356845304 /nfs/dbraw/zinc/84/53/04/356845304.db2.gz DFOZYGNIMSIVTP-KOLCDFICSA-N 0 3 242.344 0.769 20 0 BCADHN C[C@]1(CO)C[C@H](O)CN1CCOCC1CCC1 ZINC000639848119 356845441 /nfs/dbraw/zinc/84/54/41/356845441.db2.gz FEKSCYUNUIZJIM-QWHCGFSZSA-N 0 3 243.347 0.621 20 0 BCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000662514547 491104492 /nfs/dbraw/zinc/10/44/92/491104492.db2.gz OONGQIROQCBKPD-OGBGREFGSA-N 0 3 224.304 0.088 20 0 BCADHN Cc1cccc(CN2C[C@H](O)C[C@]2(C)CO)n1 ZINC000639850828 356854362 /nfs/dbraw/zinc/85/43/62/356854362.db2.gz XHYMSORUQWEOAO-CHWSQXEVSA-N 0 3 236.315 0.708 20 0 BCADHN Cc1nccn1CCN1C[C@@H](O)C[C@@]1(C)CO ZINC000639851157 356855187 /nfs/dbraw/zinc/85/51/87/356855187.db2.gz ZHKPBZZROSHQGK-RYUDHWBXSA-N 0 3 239.319 0.009 20 0 BCADHN Cc1nn(C)cc1CN1C[C@@H](O)C[C@@]1(C)CO ZINC000639851055 356855452 /nfs/dbraw/zinc/85/54/52/356855452.db2.gz YPIPTUYDQBWJPG-RYUDHWBXSA-N 0 3 239.319 0.046 20 0 BCADHN CC[C@@H](SC)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358056197 356859272 /nfs/dbraw/zinc/85/92/72/356859272.db2.gz NDRSKMUYQDGBTP-MWLCHTKSSA-N 0 3 246.376 0.311 20 0 BCADHN Cc1occc1CNCCN1CC[C@@H](O)C1 ZINC000623759260 356862423 /nfs/dbraw/zinc/86/24/23/356862423.db2.gz DZKHVCASQXCLHW-GFCCVEGCSA-N 0 3 224.304 0.744 20 0 BCADHN CN(C)C(=O)CNC[C@@H](O)C(C)(C)C ZINC000379502538 358512965 /nfs/dbraw/zinc/51/29/65/358512965.db2.gz LHSPCPDBAFENOE-MRVPVSSYSA-N 0 3 202.298 0.071 20 0 BCADHN CN(C)C(=O)CNC[C@H](O)C(C)(C)C ZINC000379502539 358513017 /nfs/dbraw/zinc/51/30/17/358513017.db2.gz LHSPCPDBAFENOE-QMMMGPOBSA-N 0 3 202.298 0.071 20 0 BCADHN CC1(C)COCCN1CCN1CCCOCC1 ZINC000361294004 356925157 /nfs/dbraw/zinc/92/51/57/356925157.db2.gz BKNRYOBAKPJCBD-UHFFFAOYSA-N 0 3 242.363 0.820 20 0 BCADHN CCc1cc(N(C)CCN(C)C)n2ncnc2n1 ZINC000353544462 538750256 /nfs/dbraw/zinc/75/02/56/538750256.db2.gz LZFXEYVCINOXHA-UHFFFAOYSA-N 0 3 248.334 0.685 20 0 BCADHN C[C@@H]1[C@H](NC(=O)CC2(O)CCC2)CCCN1C ZINC000450546811 202194857 /nfs/dbraw/zinc/19/48/57/202194857.db2.gz LBTURPWBVVVELU-GHMZBOCLSA-N 0 3 240.347 0.890 20 0 BCADHN CCCCOC[C@H](O)CN1CC[C@H](O)C1 ZINC000193249997 356897621 /nfs/dbraw/zinc/89/76/21/356897621.db2.gz LMBFZRNEEIUEHD-WDEREUQCSA-N 0 3 217.309 0.231 20 0 BCADHN CC[C@@H](O)CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368966759 356980100 /nfs/dbraw/zinc/98/01/00/356980100.db2.gz RBAMIQRZPLEGJL-ZDCRXTMVSA-N 0 3 226.320 0.343 20 0 BCADHN COC[C@@H]1CCN(Cc2cncnc2)C1 ZINC000353612498 538752377 /nfs/dbraw/zinc/75/23/77/538752377.db2.gz JOEUJSBNKHLNJD-SNVBAGLBSA-N 0 3 207.277 0.945 20 0 BCADHN CC[C@@H](O)CN1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369825351 356997667 /nfs/dbraw/zinc/99/76/67/356997667.db2.gz HWORIIRYXYQGNP-VXGBXAGGSA-N 0 3 240.347 0.748 20 0 BCADHN CCN1C(=O)[C@H]2CN(C3CCC3)CCN2C1=O ZINC000369929841 357000221 /nfs/dbraw/zinc/00/02/21/357000221.db2.gz JHPXVQOMROQOCL-SNVBAGLBSA-N 0 3 237.303 0.507 20 0 BCADHN CO[C@@H]1CC[C@@H]2OCCN(C[C@@H](C)CO)[C@H]2C1 ZINC000121592378 491106549 /nfs/dbraw/zinc/10/65/49/491106549.db2.gz QCWYWIXHURZGDT-NDBYEHHHSA-N 0 3 243.347 0.883 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)CC(F)(F)CN ZINC000582308670 357047791 /nfs/dbraw/zinc/04/77/91/357047791.db2.gz SAJQMUYKYLQPEJ-UHFFFAOYSA-N 0 3 249.305 0.523 20 0 BCADHN CC/C=C/CCN1CCN(C)C[C@H]1CO ZINC000639869324 357015374 /nfs/dbraw/zinc/01/53/74/357015374.db2.gz BCZHDLIGBBCXTJ-ITKZLYELSA-N 0 3 212.337 0.951 20 0 BCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC1(F)CC1 ZINC000389889304 357061880 /nfs/dbraw/zinc/06/18/80/357061880.db2.gz UTKBWCIUKHNBTJ-RKDXNWHRSA-N 0 3 214.284 0.993 20 0 BCADHN Cn1ccc(CNC[C@]2(C)CCOC2)n1 ZINC000389897863 357062741 /nfs/dbraw/zinc/06/27/41/357062741.db2.gz BHUXWUHMMLKFGW-NSHDSACASA-N 0 3 209.293 0.936 20 0 BCADHN CCO[C@@H]1C[C@@H]1NC1CCS(=O)(=O)CC1 ZINC000389897750 357062955 /nfs/dbraw/zinc/06/29/55/357062955.db2.gz BEHUMUJRJHARQD-VHSXEESVSA-N 0 3 233.333 0.331 20 0 BCADHN O[C@H](CNCCc1cnccn1)C(F)(F)F ZINC000389917649 357067317 /nfs/dbraw/zinc/06/73/17/357067317.db2.gz DKUXLSSLJHSSLN-MRVPVSSYSA-N 0 3 235.209 0.532 20 0 BCADHN CN(C)CCNc1cncc2nncn21 ZINC000389974513 357076927 /nfs/dbraw/zinc/07/69/27/357076927.db2.gz DSFLRRLJYAPAGM-UHFFFAOYSA-N 0 3 206.253 0.098 20 0 BCADHN CCc1nnc(C[NH2+][C@H](C)CCOC)[n-]1 ZINC000392332402 259470151 /nfs/dbraw/zinc/47/01/51/259470151.db2.gz CTMKSIKOJMWSMU-MRVPVSSYSA-N 0 3 212.297 0.882 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCc1cnccn1 ZINC000390094574 357082461 /nfs/dbraw/zinc/08/24/61/357082461.db2.gz NSYZBXGQCKTTDV-SECBINFHSA-N 0 3 234.303 0.276 20 0 BCADHN COC[C@@H](O)CCNC[C@](C)(O)C(F)(F)F ZINC000390225944 357086635 /nfs/dbraw/zinc/08/66/35/357086635.db2.gz AYYBMHYJKHTJTK-YUMQZZPRSA-N 0 3 245.241 0.287 20 0 BCADHN CN(C)C(=O)CCNC[C@](C)(O)C(F)(F)F ZINC000390341698 357090159 /nfs/dbraw/zinc/09/01/59/357090159.db2.gz NCNXXJSRECTZLH-QMMMGPOBSA-N 0 3 242.241 0.368 20 0 BCADHN OCCN[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000639878444 357090280 /nfs/dbraw/zinc/09/02/80/357090280.db2.gz ZJEKJCADARNICV-LBPRGKRZSA-N 0 3 236.315 0.867 20 0 BCADHN CC1(C)CN(C(=O)Cn2ccnc2)CCN1 ZINC000390521089 357100494 /nfs/dbraw/zinc/10/04/94/357100494.db2.gz FLEQHMDXKJHCOE-UHFFFAOYSA-N 0 3 222.292 0.094 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1C(=O)OC ZINC000130009723 357139068 /nfs/dbraw/zinc/13/90/68/357139068.db2.gz GGGDJFBCIRJJES-DJLDLDEBSA-N 0 3 228.292 0.182 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC[C@@H](O)C(F)(F)F)C1 ZINC000582415625 357141056 /nfs/dbraw/zinc/14/10/56/357141056.db2.gz DEQAHIPHFUHLDO-DSYKOEDSSA-N 0 3 241.209 0.451 20 0 BCADHN COCCNCC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000582423280 357142559 /nfs/dbraw/zinc/14/25/59/357142559.db2.gz PLCUCGMGMDPMSK-NXEZZACHSA-N 0 3 244.335 0.295 20 0 BCADHN COCCN1CC[C@@H](c2nccn2C)C1 ZINC000582434379 357150621 /nfs/dbraw/zinc/15/06/21/357150621.db2.gz SKHFTEPAPLDLKU-SNVBAGLBSA-N 0 3 209.293 0.856 20 0 BCADHN Cc1nc(CCNCc2ccc(CO)o2)n[nH]1 ZINC000392404591 357150830 /nfs/dbraw/zinc/15/08/30/357150830.db2.gz SMXMLZLMLBXFJB-UHFFFAOYSA-N 0 3 236.275 0.531 20 0 BCADHN Cc1n[nH]c(CCNCc2ccc(CO)o2)n1 ZINC000392404591 357150834 /nfs/dbraw/zinc/15/08/34/357150834.db2.gz SMXMLZLMLBXFJB-UHFFFAOYSA-N 0 3 236.275 0.531 20 0 BCADHN CN(C)C1CN(c2cc3c(nn2)CCC3)C1 ZINC000585590669 538803412 /nfs/dbraw/zinc/80/34/12/538803412.db2.gz GAKAPQVFVGPPFE-UHFFFAOYSA-N 0 3 218.304 0.716 20 0 BCADHN CC(C)CNC(=O)CN1CCCC[C@H](CO)C1 ZINC000374049457 357153169 /nfs/dbraw/zinc/15/31/69/357153169.db2.gz KALCCIXBWJIMTM-LBPRGKRZSA-N 0 3 242.363 0.853 20 0 BCADHN C[C@@H]1CCN(CCc2cnccn2)C[C@H]1CO ZINC000639884225 357158280 /nfs/dbraw/zinc/15/82/80/357158280.db2.gz DKACVFORWJDCMQ-NEPJUHHUSA-N 0 3 235.331 0.969 20 0 BCADHN CC(C)CN(CCCCO)CC(N)=O ZINC000303393800 357123689 /nfs/dbraw/zinc/12/36/89/357123689.db2.gz ZYNDIRVWOQSEAR-UHFFFAOYSA-N 0 3 202.298 0.202 20 0 BCADHN Cc1cc(NC(=O)C[C@H]2CNCCO2)no1 ZINC000085618833 357123729 /nfs/dbraw/zinc/12/37/29/357123729.db2.gz HKROVJMNCSBKRG-QMMMGPOBSA-N 0 3 225.248 0.300 20 0 BCADHN CCOC[C@@H](O)CNCc1ccnc(C)c1 ZINC000391203691 357126560 /nfs/dbraw/zinc/12/65/60/357126560.db2.gz SKXZKCWFCSRWEK-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN CC[C@H]1C[C@H](NC2CN(c3ccncn3)C2)CO1 ZINC000631257123 357193819 /nfs/dbraw/zinc/19/38/19/357193819.db2.gz WCAJVQUWBQRIPX-JQWIXIFHSA-N 0 3 248.330 0.822 20 0 BCADHN C[C@H]1C[C@H](NC2CN(c3ccncn3)C2)CCO1 ZINC000631257171 357197203 /nfs/dbraw/zinc/19/72/03/357197203.db2.gz OUXOIAFPPZKNTG-WDEREUQCSA-N 0 3 248.330 0.822 20 0 BCADHN CCN1CCCC[C@H]1C(=O)N(C)CCO ZINC000305680959 357201153 /nfs/dbraw/zinc/20/11/53/357201153.db2.gz KQYRNOUZLJNCIQ-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN COC[C@H](C)NC1CN(c2ccncn2)C1 ZINC000631257490 357202776 /nfs/dbraw/zinc/20/27/76/357202776.db2.gz YIHHZQAWZCNPHO-VIFPVBQESA-N 0 3 222.292 0.290 20 0 BCADHN COCCn1cc(CN2C[C@@H]3C[C@@H]3C2)cn1 ZINC000628408698 357208295 /nfs/dbraw/zinc/20/82/95/357208295.db2.gz GAJAIDVANWWGRP-TXEJJXNPSA-N 0 3 221.304 0.981 20 0 BCADHN Cc1ccc(O)c(CN[C@@H]2COCC[C@H]2O)n1 ZINC000631257964 357213448 /nfs/dbraw/zinc/21/34/48/357213448.db2.gz JUSXUTWQSWUYAW-ZYHUDNBSSA-N 0 3 238.287 0.335 20 0 BCADHN CC[C@H](N)C(=O)N1CCOC2(CCOCC2)C1 ZINC000583696466 357230350 /nfs/dbraw/zinc/23/03/50/357230350.db2.gz WXFPJNAHAIYKSS-JTQLQIEISA-N 0 3 242.319 0.132 20 0 BCADHN O[C@H]1CN(C[C@H]2C[C@@H]2c2ccccc2)C[C@@H]1O ZINC000628414874 357231632 /nfs/dbraw/zinc/23/16/32/357231632.db2.gz SPFLJFSCUZLYQC-MQYQWHSLSA-N 0 3 233.311 0.828 20 0 BCADHN NC(=O)c1cc(NCCN2CC=CCC2)ccn1 ZINC000392805360 357234890 /nfs/dbraw/zinc/23/48/90/357234890.db2.gz RSYQEQGROXRUFH-UHFFFAOYSA-N 0 3 246.314 0.854 20 0 BCADHN CO[C@@H](C)[C@H](C)N[C@@H]1COC[C@H]1OC ZINC000583693582 357182680 /nfs/dbraw/zinc/18/26/80/357182680.db2.gz ZKZMOBCMJCJRGK-AXTSPUMRSA-N 0 3 203.282 0.413 20 0 BCADHN NC1(C(=O)NCCN2CC=CCC2)CCC1 ZINC000392878265 357260722 /nfs/dbraw/zinc/26/07/22/357260722.db2.gz HJFMSYIREIPGKZ-UHFFFAOYSA-N 0 3 223.320 0.246 20 0 BCADHN CCOCCN[C@H]1C(=O)NCC[C@H]1C ZINC000193600833 357260932 /nfs/dbraw/zinc/26/09/32/357260932.db2.gz DGDFWGXXVGVTAV-RKDXNWHRSA-N 0 3 200.282 0.137 20 0 BCADHN OCC1(CN2CC[C@@H](n3cccn3)C2)COC1 ZINC000582460458 357265320 /nfs/dbraw/zinc/26/53/20/357265320.db2.gz DIOIBCIEORKMTQ-LLVKDONJSA-N 0 3 237.303 0.139 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N1CCCCC1 ZINC000020055696 357275426 /nfs/dbraw/zinc/27/54/26/357275426.db2.gz PHARONPFKJXJPO-NSHDSACASA-N 0 3 226.320 0.768 20 0 BCADHN CC1(C(N)=O)CN(CC[C@H]2CCOC2)C1 ZINC000582484573 357317884 /nfs/dbraw/zinc/31/78/84/357317884.db2.gz NBMLHYUYLSXBEU-VIFPVBQESA-N 0 3 212.293 0.220 20 0 BCADHN Cc1ccncc1C(=O)NC[C@@H]1CNCCO1 ZINC000582486416 357318493 /nfs/dbraw/zinc/31/84/93/357318493.db2.gz JJAPURGFBOMYKC-JTQLQIEISA-N 0 3 235.287 0.108 20 0 BCADHN C[C@H](NC(=O)CN)c1ccc(-n2ccnn2)cc1 ZINC000582667204 357358732 /nfs/dbraw/zinc/35/87/32/357358732.db2.gz ZYDNPFXCWKJRNQ-VIFPVBQESA-N 0 3 245.286 0.403 20 0 BCADHN CC[C@@H](C)C[C@@H](NC(=O)[C@H](N)CC)C(=O)OC ZINC000582667282 357358885 /nfs/dbraw/zinc/35/88/85/357358885.db2.gz KVENNTIKHUAUGG-OPRDCNLKSA-N 0 3 244.335 0.818 20 0 BCADHN CC(C)([NH3+])C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000168393595 134197783 /nfs/dbraw/zinc/19/77/83/134197783.db2.gz SLBWYVXSDSCMCI-UHFFFAOYSA-N 0 3 247.295 0.236 20 0 BCADHN COCc1ccc(CNC[C@](C)(O)COC)o1 ZINC000394548272 357365345 /nfs/dbraw/zinc/36/53/45/357365345.db2.gz GCTDKLZCGONYGL-LBPRGKRZSA-N 0 3 243.303 0.913 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCc1csc(=O)[nH]1 ZINC000394877485 357385287 /nfs/dbraw/zinc/38/52/87/357385287.db2.gz FVXLJNRPOUJDTJ-ZCFIWIBFSA-N 0 3 241.316 0.605 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@]1(C)CO ZINC000544763096 325159121 /nfs/dbraw/zinc/15/91/21/325159121.db2.gz PFHSYLGQFCDBLI-GFCCVEGCSA-N 0 3 228.336 0.702 20 0 BCADHN COC[C@H](C)CNC(=O)[C@H](C)NC1CC1 ZINC000383400220 357399370 /nfs/dbraw/zinc/39/93/70/357399370.db2.gz SLAQAZRFIQQGCQ-BDAKNGLRSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)Cc1nccn1C ZINC000394947899 357400961 /nfs/dbraw/zinc/40/09/61/357400961.db2.gz IQXBJJLSFMDLHG-VIFPVBQESA-N 0 3 236.319 0.519 20 0 BCADHN Cc1c(CNC(=O)[C@H](C)NC2CC2)cnn1C ZINC000394949325 357400978 /nfs/dbraw/zinc/40/09/78/357400978.db2.gz JLXVCVOUZIUXNP-QMMMGPOBSA-N 0 3 236.319 0.485 20 0 BCADHN CC(C)[C@H](O)CNC[C@@H](C)S(C)(=O)=O ZINC000582846007 357409305 /nfs/dbraw/zinc/40/93/05/357409305.db2.gz TVCXWWBNJJZBRN-RKDXNWHRSA-N 0 3 223.338 0.026 20 0 BCADHN CNC(=O)CCCC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000582846344 357411506 /nfs/dbraw/zinc/41/15/06/357411506.db2.gz FVDFBCSDRWXYDW-UWVGGRQHSA-N 0 3 241.335 0.112 20 0 BCADHN C[C@@H](CCS(C)(=O)=O)N[C@@H]1COC(C)(C)C1 ZINC000582857597 357421478 /nfs/dbraw/zinc/42/14/78/357421478.db2.gz WCWFNKKIUZWOCW-UWVGGRQHSA-N 0 3 249.376 0.967 20 0 BCADHN CN(CCOCC1CC1)[C@@H]1CCC(=O)N(C)C1 ZINC000582913637 357435518 /nfs/dbraw/zinc/43/55/18/357435518.db2.gz OFXBSMXHTSJENC-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000582959026 357438050 /nfs/dbraw/zinc/43/80/50/357438050.db2.gz VHGKJTPCTWNKKW-VHSXEESVSA-N 0 3 248.282 0.421 20 0 BCADHN CC[C@H](C(=O)NCC1(CO)CC1)N(C)C ZINC000157675847 538835980 /nfs/dbraw/zinc/83/59/80/538835980.db2.gz AZGZWPXHNOFVOW-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](C)NC2CC2)on1 ZINC000394817846 357380750 /nfs/dbraw/zinc/38/07/50/357380750.db2.gz KYYAGDSCHVJVMT-MRVPVSSYSA-N 0 3 223.276 0.740 20 0 BCADHN CC(C)NC(=O)CCNCC1(F)CC1 ZINC000379615679 357446038 /nfs/dbraw/zinc/44/60/38/357446038.db2.gz YXSGJYMSNQSQRD-UHFFFAOYSA-N 0 3 202.273 0.993 20 0 BCADHN CC(C)C[C@H](CO)NC(=O)CN(C)C(C)C ZINC000131700275 325178777 /nfs/dbraw/zinc/17/87/77/325178777.db2.gz DHRHFBZGKJMVFK-LLVKDONJSA-N 0 3 230.352 0.850 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188690210 357571995 /nfs/dbraw/zinc/57/19/95/357571995.db2.gz VMFCTOYETJZYAP-HBNTYKKESA-N 0 3 243.326 0.287 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@]1(C)CCOC1 ZINC000397375590 357513701 /nfs/dbraw/zinc/51/37/01/357513701.db2.gz MDWVBUZOUCHVAB-PSASIEDQSA-N 0 3 200.282 0.267 20 0 BCADHN C[C@H](O)CNCCn1c2ccccc2oc1=O ZINC000583199043 357516514 /nfs/dbraw/zinc/51/65/14/357516514.db2.gz VYMNANJWCVZHDY-VIFPVBQESA-N 0 3 236.271 0.565 20 0 BCADHN CCOC[C@H](C)N[C@@H]1COC[C@H]1OC ZINC000583203278 357519257 /nfs/dbraw/zinc/51/92/57/357519257.db2.gz ALPHMRSSMWXFMK-IVZWLZJFSA-N 0 3 203.282 0.415 20 0 BCADHN CCOC[C@@H](C)N[C@@H]1COC[C@H]1OC ZINC000583203279 357519387 /nfs/dbraw/zinc/51/93/87/357519387.db2.gz ALPHMRSSMWXFMK-OPRDCNLKSA-N 0 3 203.282 0.415 20 0 BCADHN CC(C)N(C[C@H](O)CO)C[C@H]1CCCCO1 ZINC000359675104 538858073 /nfs/dbraw/zinc/85/80/73/538858073.db2.gz YTCCDKKUTRMYMK-NWDGAFQWSA-N 0 3 231.336 0.619 20 0 BCADHN CN(C)C(=O)C(C)(C)NCCn1ccnc1 ZINC000131942965 325191867 /nfs/dbraw/zinc/19/18/67/325191867.db2.gz ZGDXYRMRQAYXFN-UHFFFAOYSA-N 0 3 224.308 0.340 20 0 BCADHN C[C@@H](CNC(=O)C(C)(C)O)N1CCC(C)CC1 ZINC000188304233 357526660 /nfs/dbraw/zinc/52/66/60/357526660.db2.gz LZSIOSVGSPCIRV-NSHDSACASA-N 0 3 242.363 0.994 20 0 BCADHN O=C(NCC1CCOCC1)[C@H]1C[C@H](F)CN1 ZINC000188369494 357528899 /nfs/dbraw/zinc/52/88/99/357528899.db2.gz UZSMTPUOJQUURX-VHSXEESVSA-N 0 3 230.283 0.229 20 0 BCADHN C[C@@]1(O)CCCN([C@@H]2CCCCNC2=O)CC1 ZINC000230379866 357532106 /nfs/dbraw/zinc/53/21/06/357532106.db2.gz NKUFGWJBTSTJLL-DGCLKSJQSA-N 0 3 240.347 0.892 20 0 BCADHN CN(C(=O)CN1CCC[C@@](C)(O)CC1)C1CC1 ZINC000230378619 357532424 /nfs/dbraw/zinc/53/24/24/357532424.db2.gz BKSOIRNJORKBEQ-CYBMUJFWSA-N 0 3 240.347 0.844 20 0 BCADHN CCNS(=O)(=O)N[C@H](C)CN1CCCCC1 ZINC000188215875 357535020 /nfs/dbraw/zinc/53/50/20/357535020.db2.gz DWZHRULHURNXBI-SNVBAGLBSA-N 0 3 249.380 0.305 20 0 BCADHN Cc1cnccc1CCN1C[C@@H](O)[C@H](CO)C1 ZINC000397526760 357537725 /nfs/dbraw/zinc/53/77/25/357537725.db2.gz IZVWGHATZCCEMT-QWHCGFSZSA-N 0 3 236.315 0.218 20 0 BCADHN C[C@@H]1CC[C@H](CN(C)CC(C)(CO)CO)O1 ZINC000188592122 357540879 /nfs/dbraw/zinc/54/08/79/357540879.db2.gz CJIZIBPKSRCQTP-GHMZBOCLSA-N 0 3 231.336 0.477 20 0 BCADHN CCN(CCNCc1cn(C)nn1)C1CC1 ZINC000230651937 357544621 /nfs/dbraw/zinc/54/46/21/357544621.db2.gz YFUSSWQGHLHSFF-UHFFFAOYSA-N 0 3 223.324 0.389 20 0 BCADHN Cc1ncccc1NC(=O)[C@H]1C[C@H](O)CN1 ZINC000085727843 357545119 /nfs/dbraw/zinc/54/51/19/357545119.db2.gz YNYGJZQSAHRFPS-WCBMZHEXSA-N 0 3 221.260 0.051 20 0 BCADHN C[C@@H]1C[C@@H](CN[C@]2(C(N)=O)CCOC2)CCO1 ZINC000583211471 357546921 /nfs/dbraw/zinc/54/69/21/357546921.db2.gz ACCSXIHDYXPVDU-JFGNBEQYSA-N 0 3 242.319 0.036 20 0 BCADHN CN(CCN1CCCC1=O)CCC(C)(C)O ZINC000545196791 325188840 /nfs/dbraw/zinc/18/88/40/325188840.db2.gz WELBDEVAZNRVJF-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN CCOC(=O)[C@H](C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188576634 357562728 /nfs/dbraw/zinc/56/27/28/357562728.db2.gz RCUJBAGMKNOFDL-HRDYMLBCSA-N 0 3 246.282 0.002 20 0 BCADHN O=C1COc2ccc(CN[C@H]3CCOC3)cc2N1 ZINC000231644109 357626121 /nfs/dbraw/zinc/62/61/21/357626121.db2.gz ZVVMJOQDBSQRLK-JTQLQIEISA-N 0 3 248.282 0.896 20 0 BCADHN Fc1cncc(CNC[C@H]2COCCO2)c1 ZINC000230938975 357581087 /nfs/dbraw/zinc/58/10/87/357581087.db2.gz CETFGVQSEZPDKB-NSHDSACASA-N 0 3 226.251 0.726 20 0 BCADHN CCN(CCC(=O)OC)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188916728 357589748 /nfs/dbraw/zinc/58/97/48/357589748.db2.gz KWQPBRFMUIUARR-DTWKUNHWSA-N 0 3 246.282 0.098 20 0 BCADHN COCCCN(CCO)Cc1cnc[nH]1 ZINC000188926504 357590071 /nfs/dbraw/zinc/59/00/71/357590071.db2.gz LRCYAUGSXZJABM-UHFFFAOYSA-N 0 3 213.281 0.241 20 0 BCADHN CO[C@@H]1CCCC[C@H]1N[C@@H]1CCN(C)C1=O ZINC000231243104 357599285 /nfs/dbraw/zinc/59/92/85/357599285.db2.gz QMKYKZQBOWHWBD-GMTAPVOTSA-N 0 3 226.320 0.764 20 0 BCADHN CC1CC(NC[C@@H]2CCCS2(=O)=O)C1 ZINC000231789110 357629545 /nfs/dbraw/zinc/62/95/45/357629545.db2.gz YWKSNERDOPADOC-RTBKNWGFSA-N 0 3 217.334 0.952 20 0 BCADHN O=C(N[C@H]1CCCC[C@H]1O)[C@H]1C[C@H](F)CN1 ZINC000188961069 357605525 /nfs/dbraw/zinc/60/55/25/357605525.db2.gz KTWQFSNFOHSZIY-AXTSPUMRSA-N 0 3 230.283 0.106 20 0 BCADHN CN(C)C(=O)CCNC(C)(C)c1cnn(C)c1 ZINC000545293374 325208016 /nfs/dbraw/zinc/20/80/16/325208016.db2.gz UUDUSUPLCJQYPM-UHFFFAOYSA-N 0 3 238.335 0.723 20 0 BCADHN CC(C)N(C)CC(=O)NCCN1CCCCC1 ZINC000063505262 357661026 /nfs/dbraw/zinc/66/10/26/357661026.db2.gz UJTFSIZFWLDWAG-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN C[C@@H]1CCN(Cc2cccc(C(N)=O)c2)[C@@H]1CO ZINC000189723072 357664848 /nfs/dbraw/zinc/66/48/48/357664848.db2.gz BWEAKNYLQOWFOK-ZWNOBZJWSA-N 0 3 248.326 0.988 20 0 BCADHN C[C@H](O)CN1CCN(CCc2ccncc2)CC1 ZINC000189377685 357634554 /nfs/dbraw/zinc/63/45/54/357634554.db2.gz CTAJROBMQGOWCH-ZDUSSCGKSA-N 0 3 249.358 0.623 20 0 BCADHN OC[C@@H]1CCN(CCOCC(F)F)C1 ZINC000189373741 357635012 /nfs/dbraw/zinc/63/50/12/357635012.db2.gz PVIKKESYIPLDTB-MRVPVSSYSA-N 0 3 209.236 0.582 20 0 BCADHN C[C@H]1CC[C@@H](CN2CCCN(C(N)=O)CC2)O1 ZINC000190502624 357714391 /nfs/dbraw/zinc/71/43/91/357714391.db2.gz JHZHIORSFNIJSU-QWRGUYRKSA-N 0 3 241.335 0.640 20 0 BCADHN CCC(C)(C)NC(=O)CN1C[C@@H](C)[C@H](CO)C1 ZINC000190833322 357726294 /nfs/dbraw/zinc/72/62/94/357726294.db2.gz DGLREFDNTDXLFP-MNOVXSKESA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)OCC(=O)N(C)C1CCN(C)CC1 ZINC000063664487 357684467 /nfs/dbraw/zinc/68/44/67/357684467.db2.gz VDIRYUXLJLJQSV-UHFFFAOYSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@H](C)NC(=O)CN1C[C@@H](C)[C@H](CO)C1 ZINC000190844310 357726779 /nfs/dbraw/zinc/72/67/79/357726779.db2.gz LAPROKAVHYXWOP-VWYCJHECSA-N 0 3 228.336 0.461 20 0 BCADHN CSC1(C(=O)NC[C@](C)(O)CN(C)C)CC1 ZINC000190847470 357726928 /nfs/dbraw/zinc/72/69/28/357726928.db2.gz ULPQFGGQXORBJY-JTQLQIEISA-N 0 3 246.376 0.311 20 0 BCADHN C[C@@H]1CN([C@H]2CCCCNC2=O)C[C@H]1CO ZINC000190856338 357727632 /nfs/dbraw/zinc/72/76/32/357727632.db2.gz VAWVEKCZWVHNJS-VWYCJHECSA-N 0 3 226.320 0.215 20 0 BCADHN COCCN1CCCN(CC(C)C)CC1=O ZINC000190771962 357731188 /nfs/dbraw/zinc/73/11/88/357731188.db2.gz QJEAASJFQNGNSU-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN CC[C@@H](C)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190917802 357732661 /nfs/dbraw/zinc/73/26/61/357732661.db2.gz FPBOYRBALXMGBG-KKOKHZNYSA-N 0 3 242.363 0.850 20 0 BCADHN CCOC(=O)[C@H](CC)N1CC[C@@](C)(C(N)=O)C1 ZINC000233693919 357732842 /nfs/dbraw/zinc/73/28/42/357732842.db2.gz KAVFKWDZUCYAOY-JOYOIKCWSA-N 0 3 242.319 0.525 20 0 BCADHN Cc1cnn(CCN2CCNC[C@H]2C(F)F)c1 ZINC000583263166 357738570 /nfs/dbraw/zinc/73/85/70/357738570.db2.gz BGQDDETZXDZESC-JTQLQIEISA-N 0 3 244.289 0.730 20 0 BCADHN CCOC[C@@H](NCc1cnnn1C)C(C)C ZINC000233737048 357742034 /nfs/dbraw/zinc/74/20/34/357742034.db2.gz HFOYZWIWXCVPHH-LLVKDONJSA-N 0 3 226.324 0.966 20 0 BCADHN CN(Cc1cnn(C)c1)C1(CO)CCOCC1 ZINC000191028526 357743641 /nfs/dbraw/zinc/74/36/41/357743641.db2.gz DGKLGFXZJWEUBT-UHFFFAOYSA-N 0 3 239.319 0.393 20 0 BCADHN CC[C@](C)(OC)C(=O)NC[C@](C)(O)CN(C)C ZINC000234118360 357776101 /nfs/dbraw/zinc/77/61/01/357776101.db2.gz LIMHSZXZJGTLBW-RYUDHWBXSA-N 0 3 246.351 0.230 20 0 BCADHN CC[C@@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC000055293275 363589618 /nfs/dbraw/zinc/58/96/18/363589618.db2.gz MGCGTLDZRODWDP-GFCCVEGCSA-N 0 3 241.379 0.786 20 0 BCADHN C[C@@H]1CCCN(CC(=O)N2CCCC2)[C@@H]1CO ZINC000132927992 325253334 /nfs/dbraw/zinc/25/33/34/325253334.db2.gz VXVBSONLHRGTBV-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN CC(C)C[C@]1(CO)CCCN1CC(=O)N(C)C ZINC000191636327 357780002 /nfs/dbraw/zinc/78/00/02/357780002.db2.gz NSSUDVVNLYUCPG-ZDUSSCGKSA-N 0 3 242.363 0.948 20 0 BCADHN CN(C)c1ncc(CNCCCCO)n1C ZINC000234288518 357780328 /nfs/dbraw/zinc/78/03/28/357780328.db2.gz GREFVWBUYYQLDV-UHFFFAOYSA-N 0 3 226.324 0.348 20 0 BCADHN C[C@@H](O)CCN(C)CCN1CCOC[C@@H]1C ZINC000191512335 357782724 /nfs/dbraw/zinc/78/27/24/357782724.db2.gz BLJICSICXYYWFG-NWDGAFQWSA-N 0 3 230.352 0.410 20 0 BCADHN CC(C)[C@H](C)NC(=O)CN[C@H](CO)C(C)C ZINC000086124349 357855154 /nfs/dbraw/zinc/85/51/54/357855154.db2.gz PYYNAPLPIJHZQL-WDEREUQCSA-N 0 3 230.352 0.754 20 0 BCADHN C[C@@H](N[C@H]1CCC(=O)NC1)c1ccnn1C ZINC000235207662 357857776 /nfs/dbraw/zinc/85/77/76/357857776.db2.gz ABGHZPVQVBVULP-BDAKNGLRSA-N 0 3 222.292 0.349 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)[C@H]1NCCCC1(C)C ZINC000235240760 357858345 /nfs/dbraw/zinc/85/83/45/357858345.db2.gz FFQSBHKHSPKEQT-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1CCC[C@@H](CNC(=O)C(=O)NCCN)C1 ZINC000235262080 357859387 /nfs/dbraw/zinc/85/93/87/357859387.db2.gz AJBMMHUSZHWXEX-NXEZZACHSA-N 0 3 241.335 0.004 20 0 BCADHN COCCOC[C@@H](O)CN1CCSC[C@@H]1C ZINC000234701183 357826207 /nfs/dbraw/zinc/82/62/07/357826207.db2.gz ZDUDGEOPDHQQBN-QWRGUYRKSA-N 0 3 249.376 0.448 20 0 BCADHN CO[C@H]1CCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000234779986 357828097 /nfs/dbraw/zinc/82/80/97/357828097.db2.gz UHQILIFFNRSAMB-ZJUUUORDSA-N 0 3 244.360 0.329 20 0 BCADHN COCCNCCNC(=O)NC[C@H](C)C1CC1 ZINC000669412730 491115517 /nfs/dbraw/zinc/11/55/17/491115517.db2.gz YZNNMWGRGFZVRY-JTQLQIEISA-N 0 3 243.351 0.568 20 0 BCADHN CO[C@@H]1C[C@H](NCC(=O)NCC2CC2)C1(C)C ZINC000234811032 357831726 /nfs/dbraw/zinc/83/17/26/357831726.db2.gz YFABVQNAPGZWIN-WDEREUQCSA-N 0 3 240.347 0.916 20 0 BCADHN Cc1ocnc1CNC(=O)[C@@H](C)NC1CC1 ZINC000398047928 357831742 /nfs/dbraw/zinc/83/17/42/357831742.db2.gz CROASSNTSFVMQL-SSDOTTSWSA-N 0 3 223.276 0.740 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)N(C)C)C1(C)C ZINC000234845224 357838292 /nfs/dbraw/zinc/83/82/92/357838292.db2.gz QZCUAKGITJHXHH-IVZWLZJFSA-N 0 3 228.336 0.866 20 0 BCADHN CCCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192680987 357847699 /nfs/dbraw/zinc/84/76/99/357847699.db2.gz QAFAJTVAJSFIKM-JTQLQIEISA-N 0 3 211.265 0.070 20 0 BCADHN COCC1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000399051010 357894727 /nfs/dbraw/zinc/89/47/27/357894727.db2.gz VLJHUPHXRBLSJV-GFCCVEGCSA-N 0 3 240.347 0.999 20 0 BCADHN Cn1ccnc1CNC(=O)[C@H](N)C1CCC1 ZINC000399062312 357895188 /nfs/dbraw/zinc/89/51/88/357895188.db2.gz ZFSKFTLMGLCFGR-SNVBAGLBSA-N 0 3 222.292 0.164 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)C(=O)[C@H](C)NC1CC1 ZINC000399038143 357895242 /nfs/dbraw/zinc/89/52/42/357895242.db2.gz SRECWSFVWBANCK-GLSBUQGYSA-N 0 3 246.376 0.352 20 0 BCADHN CC[C@@H](C)NC(=O)[C@H](C)N(C)CC(C)(C)O ZINC000086274416 357878927 /nfs/dbraw/zinc/87/89/27/357878927.db2.gz SGUXLFGUVGGAPQ-ZJUUUORDSA-N 0 3 230.352 0.992 20 0 BCADHN C[C@H]1CCC[C@@H](CNC(=O)C(=O)NCCN)C1 ZINC000235587671 357881032 /nfs/dbraw/zinc/88/10/32/357881032.db2.gz AJBMMHUSZHWXEX-VHSXEESVSA-N 0 3 241.335 0.004 20 0 BCADHN C[C@@H](CNC(=O)[C@@H](C)NC1CC1)C[C@H](C)O ZINC000398704040 357889702 /nfs/dbraw/zinc/88/97/02/357889702.db2.gz XURICFRTODZCPA-KXUCPTDWSA-N 0 3 228.336 0.650 20 0 BCADHN N[C@@H](C(=O)NCc1ncc[nH]1)C1CCC1 ZINC000398975413 357893058 /nfs/dbraw/zinc/89/30/58/357893058.db2.gz BEVXTARTTQNJKD-SECBINFHSA-N 0 3 208.265 0.153 20 0 BCADHN N[C@H](C(=O)NCc1ccno1)C1CCC1 ZINC000399020632 357893497 /nfs/dbraw/zinc/89/34/97/357893497.db2.gz HWOOEZMHQMCMNF-VIFPVBQESA-N 0 3 209.249 0.418 20 0 BCADHN COC[C@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000399059311 357894480 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358013218 /nfs/dbraw/zinc/01/32/18/358013218.db2.gz ZFXMCWKMKBOGJH-RYUDHWBXSA-N 0 3 241.379 0.594 20 0 BCADHN CO[C@H]1CN(CCOC(C)C)[C@@](C)(CO)C1 ZINC000639997245 358035133 /nfs/dbraw/zinc/03/51/33/358035133.db2.gz IXIDFGRWSZWACL-VXGBXAGGSA-N 0 3 231.336 0.883 20 0 BCADHN CO[C@H]1CN(CCOCC2CC2)[C@](C)(CO)C1 ZINC000639999621 358036200 /nfs/dbraw/zinc/03/62/00/358036200.db2.gz JWIXWVRVKSYHGE-OLZOCXBDSA-N 0 3 243.347 0.885 20 0 BCADHN Cc1nnc(N2CCN(C[C@H]3C[C@H]3C)CC2)n1C ZINC000639975547 358032458 /nfs/dbraw/zinc/03/24/58/358032458.db2.gz FYMHUNLQLBLVOP-ZYHUDNBSSA-N 0 3 249.362 0.902 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@H](C)OC[C@H]1CC ZINC000036871805 358055826 /nfs/dbraw/zinc/05/58/26/358055826.db2.gz RGUYXKAJAPLAEC-IVZWLZJFSA-N 0 3 214.309 0.750 20 0 BCADHN NCC1(C(=O)N[C@H]2CC[S@](=O)C2)CCCC1 ZINC000584527947 358041093 /nfs/dbraw/zinc/04/10/93/358041093.db2.gz QNXSDUJWCHOUNK-FVMDXXJSSA-N 0 3 244.360 0.143 20 0 BCADHN C[C@@H](Cn1cccn1)NC(=O)CNC1CC1 ZINC000037477026 358070983 /nfs/dbraw/zinc/07/09/83/358070983.db2.gz HKWMURUONJAPDY-VIFPVBQESA-N 0 3 222.292 0.140 20 0 BCADHN CC(C)NCC(=O)N(C)CC(=O)NC(C)(C)C ZINC000037495154 358073764 /nfs/dbraw/zinc/07/37/64/358073764.db2.gz SEDUHRZAAOFXBM-UHFFFAOYSA-N 0 3 243.351 0.358 20 0 BCADHN C[C@H](NC(=O)NCCN(C)C)[C@@H]1CCOC1 ZINC000133757269 325316153 /nfs/dbraw/zinc/31/61/53/325316153.db2.gz BGYXABUUUIOQPC-VHSXEESVSA-N 0 3 229.324 0.272 20 0 BCADHN C[C@H](N)C(=O)NCCc1ccccc1O ZINC000169809111 134251835 /nfs/dbraw/zinc/25/18/35/134251835.db2.gz ACCKWACBNHHCEI-QMMMGPOBSA-N 0 3 208.261 0.398 20 0 BCADHN COCCNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000170740506 134252827 /nfs/dbraw/zinc/25/28/27/134252827.db2.gz HANLUHUFTVSTEW-LLVKDONJSA-N 0 3 241.335 0.513 20 0 BCADHN CN(CCc1ccccn1)C(=O)CNC1CC1 ZINC000037654648 358084554 /nfs/dbraw/zinc/08/45/54/358084554.db2.gz FVOATUJEPKFGPE-UHFFFAOYSA-N 0 3 233.315 0.835 20 0 BCADHN CC(C)CN1CCN(C(=O)CNC2CC2)CC1 ZINC000037821714 358095485 /nfs/dbraw/zinc/09/54/85/358095485.db2.gz NTWLOKHTEFGWRX-UHFFFAOYSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@@H](CNC(=O)C1(O)CCCC1)N(C)C1CC1 ZINC000170809816 134254091 /nfs/dbraw/zinc/25/40/91/134254091.db2.gz ONLORESYEPAENO-JTQLQIEISA-N 0 3 240.347 0.890 20 0 BCADHN CN(C)C(=O)C1CCN(C[C@H]2CCCO2)CC1 ZINC000171015476 134254407 /nfs/dbraw/zinc/25/44/07/134254407.db2.gz JEYJOCXIEPCWMT-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@]1(O)CCCN([C@@H](C)C(N)=O)C1 ZINC000640031135 358123470 /nfs/dbraw/zinc/12/34/70/358123470.db2.gz OQGAOIRQXQVYAO-WPRPVWTQSA-N 0 3 200.282 0.097 20 0 BCADHN CC(C)CCCC(=O)NC[C@]1(O)CCN(C)C1 ZINC000450618620 202213561 /nfs/dbraw/zinc/21/35/61/202213561.db2.gz FKTRXJJQEDHWQR-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN COCC[C@@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000171190566 134255874 /nfs/dbraw/zinc/25/58/74/134255874.db2.gz OYMCYPIMCBJJIF-MNOVXSKESA-N 0 3 243.351 0.805 20 0 BCADHN COCC[C@@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000171190573 134256036 /nfs/dbraw/zinc/25/60/36/134256036.db2.gz OYMCYPIMCBJJIF-GHMZBOCLSA-N 0 3 243.351 0.805 20 0 BCADHN O=C(c1cc[nH]n1)N1CC[C@H](N2CCCC2)C1 ZINC000171441320 134257978 /nfs/dbraw/zinc/25/79/78/134257978.db2.gz VMFAMRRNUGHGQS-JTQLQIEISA-N 0 3 234.303 0.720 20 0 BCADHN CC1(F)CCN(CCOCCO)CC1 ZINC000640071570 358161850 /nfs/dbraw/zinc/16/18/50/358161850.db2.gz BIEVESZQUNCYBH-UHFFFAOYSA-N 0 3 205.273 0.819 20 0 BCADHN COC[C@H](O)CN1CCC(C)(F)CC1 ZINC000640071716 358162579 /nfs/dbraw/zinc/16/25/79/358162579.db2.gz RMFQWEBEJOVSGC-SECBINFHSA-N 0 3 205.273 0.818 20 0 BCADHN CN(C)[C@H]1CN(CCOCC2CCC2)C[C@@H]1O ZINC000584728249 358167098 /nfs/dbraw/zinc/16/70/98/358167098.db2.gz GOFDBYCUCCMCCZ-STQMWFEESA-N 0 3 242.363 0.410 20 0 BCADHN CC(C)C[C@@H](C)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000450621641 202214204 /nfs/dbraw/zinc/21/42/04/202214204.db2.gz MMHQHWKMWXULCY-NXEZZACHSA-N 0 3 234.365 0.784 20 0 BCADHN CCNC(=O)[C@H](C)N[C@@H](COC)C1CC1 ZINC000087478429 535404400 /nfs/dbraw/zinc/40/44/00/535404400.db2.gz MZSSEECYLGPDBJ-WPRPVWTQSA-N 0 3 214.309 0.526 20 0 BCADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)CNC1CC1 ZINC000584780221 358176213 /nfs/dbraw/zinc/17/62/13/358176213.db2.gz DRQVSGMAXNWHAT-ONGXEEELSA-N 0 3 226.320 0.358 20 0 BCADHN NC(=O)c1ccc(CN2CCC(O)CC2)cc1 ZINC000027355109 181295528 /nfs/dbraw/zinc/29/55/28/181295528.db2.gz MGPYBUSUSYXMRI-UHFFFAOYSA-N 0 3 234.299 0.742 20 0 BCADHN CCNC(=O)CCN1CCS[C@H](C)C1 ZINC000171691633 134260283 /nfs/dbraw/zinc/26/02/83/134260283.db2.gz TUDXHDFOPKSTPD-SECBINFHSA-N 0 3 216.350 0.950 20 0 BCADHN CCN1C[C@H](C)[C@H](NC(=O)N[C@@H](C)CF)C1 ZINC000644902622 491123685 /nfs/dbraw/zinc/12/36/85/491123685.db2.gz HGCFPAPGJPEDNV-LPEHRKFASA-N 0 3 231.315 0.984 20 0 BCADHN CC[C@@H]1CN(C[C@@](C)(O)C(C)=O)C[C@@H]1O ZINC000450636553 202219515 /nfs/dbraw/zinc/21/95/15/202219515.db2.gz NILZDANDNOLKME-OUAUKWLOSA-N 0 3 215.293 0.029 20 0 BCADHN CCOCCN(C)C[C@H]1COCCO1 ZINC000450646629 202226246 /nfs/dbraw/zinc/22/62/46/202226246.db2.gz RLVCEVXFWXHNIQ-JTQLQIEISA-N 0 3 203.282 0.370 20 0 BCADHN COCCCN1CCN(c2ncc[nH]2)CC1 ZINC000584875738 358208181 /nfs/dbraw/zinc/20/81/81/358208181.db2.gz SVERKDKANAHULH-UHFFFAOYSA-N 0 3 224.308 0.568 20 0 BCADHN CCN(C)CCNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172143963 134262112 /nfs/dbraw/zinc/26/21/12/134262112.db2.gz FGQWFDOPIAWBGA-MXWKQRLJSA-N 0 3 241.335 0.557 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@H](N)CCSC ZINC000223728194 358230589 /nfs/dbraw/zinc/23/05/89/358230589.db2.gz HBSRHNXBIAIRAV-JGVFFNPUSA-N 0 3 220.338 0.218 20 0 BCADHN CC[C@@H]1C[C@H]1C(=O)NCCN(CC)CCO ZINC000450685479 202234277 /nfs/dbraw/zinc/23/42/77/202234277.db2.gz SNLDVMXYTPBBFJ-GHMZBOCLSA-N 0 3 228.336 0.463 20 0 BCADHN CC(C)[C@H]1CN(C[C@H]2COCCO2)CCN1C ZINC000640140932 358232854 /nfs/dbraw/zinc/23/28/54/358232854.db2.gz PXBGDOVHXWNQCQ-QWHCGFSZSA-N 0 3 242.363 0.674 20 0 BCADHN CO[C@H](C)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000172233379 134264743 /nfs/dbraw/zinc/26/47/43/134264743.db2.gz MEEWGNIQADVNQN-GHMZBOCLSA-N 0 3 228.336 0.822 20 0 BCADHN CCNC(=O)NC(=O)CN(C)C[C@@H](C)CC ZINC000171950416 134262938 /nfs/dbraw/zinc/26/29/38/134262938.db2.gz BLVADFXBOQFYJI-VIFPVBQESA-N 0 3 229.324 0.810 20 0 BCADHN CCOCC(=O)NCCN(CC)C1CC1 ZINC000227553695 535414345 /nfs/dbraw/zinc/41/43/45/535414345.db2.gz DSBVLBUPIGATQJ-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN CCC[C@@H](O)CN(C)[C@]1(CO)CCOC1 ZINC000450713527 202242970 /nfs/dbraw/zinc/24/29/70/202242970.db2.gz SRBZRBLFVVBQKO-MNOVXSKESA-N 0 3 217.309 0.231 20 0 BCADHN CCC[C@H](O)CN1CCCC[C@@]1(C)C(N)=O ZINC000450744081 202253375 /nfs/dbraw/zinc/25/33/75/202253375.db2.gz KRBZYQXLCAINSS-JQWIXIFHSA-N 0 3 228.336 0.877 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCSC[C@@H](C)C1 ZINC000248951741 358282955 /nfs/dbraw/zinc/28/29/55/358282955.db2.gz BEZYFRCZRZNRIH-JGVFFNPUSA-N 0 3 245.348 0.255 20 0 BCADHN C[C@H](O)CCN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000450774665 202260178 /nfs/dbraw/zinc/26/01/78/202260178.db2.gz DHPWFTVDDDIIHJ-UTLUCORTSA-N 0 3 214.309 0.343 20 0 BCADHN COc1ccnc(N2C[C@@H]3CCN(C)[C@@H]3C2)n1 ZINC000450775008 202260589 /nfs/dbraw/zinc/26/05/89/202260589.db2.gz AOXPFOREQHGBAM-VHSXEESVSA-N 0 3 234.303 0.626 20 0 BCADHN CN1CC[C@@H]2CN(c3ncc(F)cn3)C[C@@H]21 ZINC000450775680 202260768 /nfs/dbraw/zinc/26/07/68/202260768.db2.gz GJNUGQIUZZFEJH-SCZZXKLOSA-N 0 3 222.267 0.756 20 0 BCADHN CCC[C@H](O)CN[C@@]1(CC(=O)OC)CCOC1 ZINC000450774575 202261734 /nfs/dbraw/zinc/26/17/34/202261734.db2.gz OGXREZHASZFKNQ-CMPLNLGQSA-N 0 3 245.319 0.459 20 0 BCADHN CN1CCC[C@@H](N2C[C@H](O)C3(CC3)C2)C1=O ZINC000547645475 325377139 /nfs/dbraw/zinc/37/71/39/325377139.db2.gz GUAXFMGLTVKUTP-ZJUUUORDSA-N 0 3 224.304 0.064 20 0 BCADHN CC(C)(CO)C(=O)NCCN1CCCCC1 ZINC000547603347 325373561 /nfs/dbraw/zinc/37/35/61/325373561.db2.gz CXHHACBBFJGFJD-UHFFFAOYSA-N 0 3 228.336 0.607 20 0 BCADHN CC[C@@H](N)C(=O)NCc1c(C)nn(C)c1C ZINC000086109849 358335487 /nfs/dbraw/zinc/33/54/87/358335487.db2.gz ACIGZSHVZCNDAL-SNVBAGLBSA-N 0 3 224.308 0.390 20 0 BCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCC1(C)CC1 ZINC000219026857 134273515 /nfs/dbraw/zinc/27/35/15/134273515.db2.gz AXPASKGGHZAYOR-JTQLQIEISA-N 0 3 241.335 0.002 20 0 BCADHN CN1CCN(C(=O)CC2CCC2)[C@@H](CN)C1 ZINC000226292961 358336322 /nfs/dbraw/zinc/33/63/22/358336322.db2.gz MBKYYPVRHRPNBE-NSHDSACASA-N 0 3 225.336 0.278 20 0 BCADHN CC(C)C[C@H](N)C(=O)N[C@H]1CCSC1 ZINC000226357135 358337682 /nfs/dbraw/zinc/33/76/82/358337682.db2.gz IVQAVGRCILHDEC-IUCAKERBSA-N 0 3 216.350 0.982 20 0 BCADHN Cc1c(CNC[C@@H](O)COC(C)C)cnn1C ZINC000226380801 358338408 /nfs/dbraw/zinc/33/84/08/358338408.db2.gz XZXLYBMEVRYLMT-GFCCVEGCSA-N 0 3 241.335 0.604 20 0 BCADHN C[C@H]1C[C@H](NCC(=O)NCC2CC2)CCO1 ZINC000226515305 358340702 /nfs/dbraw/zinc/34/07/02/358340702.db2.gz KDWAEYNTIWVAGZ-GXSJLCMTSA-N 0 3 226.320 0.670 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@H]1C[C@@H](O)C1(C)C ZINC000226594625 358340707 /nfs/dbraw/zinc/34/07/07/358340707.db2.gz VHFMNGFDWMVZSQ-LPEHRKFASA-N 0 3 228.336 0.650 20 0 BCADHN C[C@@H](NC(=O)CNC1CC1)c1cn[nH]c1 ZINC000226696835 358342915 /nfs/dbraw/zinc/34/29/15/358342915.db2.gz MBGRHPDIEPIBJP-SSDOTTSWSA-N 0 3 208.265 0.339 20 0 BCADHN CC1(C)[C@H](O)C[C@@H]1NC[C@@H](O)C(F)(F)F ZINC000226720435 358343671 /nfs/dbraw/zinc/34/36/71/358343671.db2.gz YXRGICUESPXVNM-RRKCRQDMSA-N 0 3 227.226 0.659 20 0 BCADHN Cc1ccccc1S(=O)(=O)N(C)C1CNC1 ZINC000085257905 134272079 /nfs/dbraw/zinc/27/20/79/134272079.db2.gz HWZLYGHWDKAJFG-UHFFFAOYSA-N 0 3 240.328 0.587 20 0 BCADHN CCC(CC)[C@H](O)CNC(=O)CNC1CC1 ZINC000229086534 358345131 /nfs/dbraw/zinc/34/51/31/358345131.db2.gz JRAXYRYQZKSYFA-LLVKDONJSA-N 0 3 228.336 0.652 20 0 BCADHN O=C(CNC1CC1)N[C@H]1CCSC1 ZINC000229086819 358345304 /nfs/dbraw/zinc/34/53/04/358345304.db2.gz NBRMGUCZQSXDLP-QMMMGPOBSA-N 0 3 200.307 0.360 20 0 BCADHN Cn1ccc(CCNC[C@H](O)C(F)(F)F)n1 ZINC000227226668 358352555 /nfs/dbraw/zinc/35/25/55/358352555.db2.gz IFHQGTCGEJAHOI-QMMMGPOBSA-N 0 3 237.225 0.475 20 0 BCADHN O=C(C[C@@H]1CSCCN1)N[C@H]1CCSC1 ZINC000227210110 358352839 /nfs/dbraw/zinc/35/28/39/358352839.db2.gz UCYYZKGYHBFHKJ-DTWKUNHWSA-N 0 3 246.401 0.703 20 0 BCADHN C[C@H]1C[C@@H](N(C)S(=O)(=O)N(C)C)CCN1C ZINC000173276438 134273105 /nfs/dbraw/zinc/27/31/05/134273105.db2.gz AZELBXDDJCCPQI-UWVGGRQHSA-N 0 3 249.380 0.207 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cccc(CO)c1 ZINC000227282127 358353556 /nfs/dbraw/zinc/35/35/56/358353556.db2.gz HTONGZFUOLBYEQ-VIFPVBQESA-N 0 3 222.288 0.403 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000227329728 358353863 /nfs/dbraw/zinc/35/38/63/358353863.db2.gz WYRDHZPEJSOPCO-GRYCIOLGSA-N 0 3 234.299 0.498 20 0 BCADHN O[C@@H]1CC[C@H]2CN(Cc3ccno3)C[C@@H]12 ZINC000228105902 358369180 /nfs/dbraw/zinc/36/91/80/358369180.db2.gz WSUYGKHWOYVBCM-JMJZKYOTSA-N 0 3 208.261 0.877 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2cnc(N)cn2)C1 ZINC000228576615 358379871 /nfs/dbraw/zinc/37/98/71/358379871.db2.gz YHILSSMVAQBMSH-SECBINFHSA-N 0 3 249.318 0.130 20 0 BCADHN COC[C@H](O)CNCc1cccc(CO)c1 ZINC000227472185 358358818 /nfs/dbraw/zinc/35/88/18/358358818.db2.gz QUVZCTDSTAFVPU-GFCCVEGCSA-N 0 3 225.288 0.276 20 0 BCADHN [NH3+][C@@H]1CCC[C@H](CNC(=O)c2c[n-]nn2)C1 ZINC000227597936 358359977 /nfs/dbraw/zinc/35/99/77/358359977.db2.gz OBFMLDOROIEPHN-JGVFFNPUSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cnn[n-]2)C1 ZINC000227597936 358359979 /nfs/dbraw/zinc/35/99/79/358359979.db2.gz OBFMLDOROIEPHN-JGVFFNPUSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cn[n-]n2)C1 ZINC000227597936 358359982 /nfs/dbraw/zinc/35/99/82/358359982.db2.gz OBFMLDOROIEPHN-JGVFFNPUSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+][C@H]1CCC[C@@H](CNC(=O)c2c[n-]nn2)C1 ZINC000227597932 358360500 /nfs/dbraw/zinc/36/05/00/358360500.db2.gz OBFMLDOROIEPHN-SFYZADRCSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC000227597932 358360502 /nfs/dbraw/zinc/36/05/02/358360502.db2.gz OBFMLDOROIEPHN-SFYZADRCSA-N 0 3 223.280 0.052 20 0 BCADHN [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cn[n-]n2)C1 ZINC000227597932 358360505 /nfs/dbraw/zinc/36/05/05/358360505.db2.gz OBFMLDOROIEPHN-SFYZADRCSA-N 0 3 223.280 0.052 20 0 BCADHN COC(=O)CN1CCc2ccccc2[C@H]1CN ZINC000227723831 358362137 /nfs/dbraw/zinc/36/21/37/358362137.db2.gz RINHPVHUBIKUTM-GFCCVEGCSA-N 0 3 234.299 0.718 20 0 BCADHN O=C(Cc1ccsc1)NC[C@@H]1CNCCO1 ZINC000227785259 358363473 /nfs/dbraw/zinc/36/34/73/358363473.db2.gz YDKAOUNZEZNHOK-JTQLQIEISA-N 0 3 240.328 0.395 20 0 BCADHN CSCCCN1CCNC(=O)CC1 ZINC000173657419 134275780 /nfs/dbraw/zinc/27/57/80/134275780.db2.gz OWCSEUHYAPSDLH-UHFFFAOYSA-N 0 3 202.323 0.561 20 0 BCADHN Cc1cnccc1CNC(=O)C[C@H]1CNCCO1 ZINC000228691477 358383555 /nfs/dbraw/zinc/38/35/55/358383555.db2.gz HKXQGSRIBQXOQI-LBPRGKRZSA-N 0 3 249.314 0.385 20 0 BCADHN O=C(NC1CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173928571 134276444 /nfs/dbraw/zinc/27/64/44/134276444.db2.gz VBTQUTQFYSALBW-LLVKDONJSA-N 0 3 221.304 0.805 20 0 BCADHN CC[C@H](C)NC(=O)CN[C@@H]1C[C@@H](O)C1(C)C ZINC000228861177 358387250 /nfs/dbraw/zinc/38/72/50/358387250.db2.gz IJJZNZVMLGGTRZ-IVZWLZJFSA-N 0 3 228.336 0.650 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N1CC(N(C)C)C1 ZINC000134995761 325387415 /nfs/dbraw/zinc/38/74/15/325387415.db2.gz DYQCUPBWWVQKNT-GFCCVEGCSA-N 0 3 239.363 0.633 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](N)C(C)(C)C)no1 ZINC000044727055 358392580 /nfs/dbraw/zinc/39/25/80/358392580.db2.gz WQNILOMZZPLDST-SECBINFHSA-N 0 3 225.292 0.973 20 0 BCADHN CN1CCC[C@H](CNC(=O)C(C)(C)O)C1 ZINC000230106631 358393915 /nfs/dbraw/zinc/39/39/15/358393915.db2.gz GLHREYFZSMWKQH-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN CO[C@H]1CN(C(=O)CNC2CC2)CC[C@H]1C ZINC000230245695 358396711 /nfs/dbraw/zinc/39/67/11/358396711.db2.gz PDZPTRWQEQRNHK-KOLCDFICSA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000230245266 358396738 /nfs/dbraw/zinc/39/67/38/358396738.db2.gz ZIAJZNGBOFSPMB-IVZWLZJFSA-N 0 3 214.309 0.607 20 0 BCADHN CC[C@H](OC)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425056765 358515596 /nfs/dbraw/zinc/51/55/96/358515596.db2.gz KTTSYCOCKMDACZ-TUAOUCFPSA-N 0 3 240.347 0.964 20 0 BCADHN O=C(Cn1ccccc1=O)NCCN1CCCC1 ZINC000041976058 358516569 /nfs/dbraw/zinc/51/65/69/358516569.db2.gz FGMXCQAJMGRXLN-UHFFFAOYSA-N 0 3 249.314 0.060 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H](CCO)C(C)C ZINC000231080686 358414213 /nfs/dbraw/zinc/41/42/13/358414213.db2.gz IUNSEELTPGTZQL-IUCAKERBSA-N 0 3 202.298 0.118 20 0 BCADHN CN(C)CCOCCNc1cccnn1 ZINC000231208170 358415953 /nfs/dbraw/zinc/41/59/53/358415953.db2.gz NCEDFXDYXMQGOG-UHFFFAOYSA-N 0 3 210.281 0.467 20 0 BCADHN CCc1cnc(CNC(=O)[C@@H](N)C(C)C)o1 ZINC000231645902 358417781 /nfs/dbraw/zinc/41/77/81/358417781.db2.gz BBZOGZJZHQQBHT-JTQLQIEISA-N 0 3 225.292 0.837 20 0 BCADHN Cc1ncc(CNCCN2CC[C@@H](O)C2)o1 ZINC000628465222 358418687 /nfs/dbraw/zinc/41/86/87/358418687.db2.gz XVTUFBCANORLLX-SNVBAGLBSA-N 0 3 225.292 0.139 20 0 BCADHN CCN1CCCN(CC(=O)NC2CC2)CC1 ZINC000104953133 358437274 /nfs/dbraw/zinc/43/72/74/358437274.db2.gz RSIJAFNJHKOGCL-UHFFFAOYSA-N 0 3 225.336 0.293 20 0 BCADHN CN1CCC[C@H]1CNC(=O)c1cocn1 ZINC000104867235 358441310 /nfs/dbraw/zinc/44/13/10/358441310.db2.gz FTCGWUFLWIQACH-QMMMGPOBSA-N 0 3 209.249 0.499 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)Cc1noc(C)n1 ZINC000125518450 358541300 /nfs/dbraw/zinc/54/13/00/358541300.db2.gz XAJWQXAWIAYOTF-SECBINFHSA-N 0 3 240.307 0.854 20 0 BCADHN Cn1cc(CN[C@H]2CCN(C3CC3)C2)cn1 ZINC000044685231 358551801 /nfs/dbraw/zinc/55/18/01/358551801.db2.gz ICCLINGOBPMSKI-NSHDSACASA-N 0 3 220.320 0.746 20 0 BCADHN CCCC[C@@H](N)C(=O)NCCOCCOC ZINC000044727213 358552949 /nfs/dbraw/zinc/55/29/49/358552949.db2.gz MCWQVADEULUENV-SNVBAGLBSA-N 0 3 232.324 0.283 20 0 BCADHN CC[C@@H](N[C@@H](C)CC(N)=O)c1cnn(C)c1 ZINC000127191876 358560646 /nfs/dbraw/zinc/56/06/46/358560646.db2.gz OHPZSGKODPDKJL-WCBMZHEXSA-N 0 3 224.308 0.725 20 0 BCADHN CCCC(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000046947109 358582675 /nfs/dbraw/zinc/58/26/75/358582675.db2.gz SIQWJYSZIVTYDU-LBPRGKRZSA-N 0 3 241.379 0.929 20 0 BCADHN CCCC(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000046947108 358583214 /nfs/dbraw/zinc/58/32/14/358583214.db2.gz SIQWJYSZIVTYDU-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@H](C)Cn1cccn1 ZINC000042540240 358525676 /nfs/dbraw/zinc/52/56/76/358525676.db2.gz GSJRABYAFUNYMM-MNOVXSKESA-N 0 3 238.335 0.774 20 0 BCADHN CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN ZINC000042577287 358527030 /nfs/dbraw/zinc/52/70/30/358527030.db2.gz OSOIVLPZKKDOBY-ZJUUUORDSA-N 0 3 241.335 0.146 20 0 BCADHN COCCCNC(=O)CN(C)C[C@@H]1CCOC1 ZINC000047717757 358600362 /nfs/dbraw/zinc/60/03/62/358600362.db2.gz XDFDOYVBOHXXKV-NSHDSACASA-N 0 3 244.335 0.107 20 0 BCADHN CC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000130034911 358605554 /nfs/dbraw/zinc/60/55/54/358605554.db2.gz BJUCQESBUADXNH-UHFFFAOYSA-N 0 3 226.320 0.720 20 0 BCADHN COCCNCCNC(=O)C1(C)CCCC1 ZINC000212735757 358621177 /nfs/dbraw/zinc/62/11/77/358621177.db2.gz POQFVEBWQHCMIM-UHFFFAOYSA-N 0 3 228.336 0.919 20 0 BCADHN COC[C@@H](O)CN(C)CCC(=O)OC(C)(C)C ZINC000130516566 358630163 /nfs/dbraw/zinc/63/01/63/358630163.db2.gz QHRNHQPPSXGTNF-JTQLQIEISA-N 0 3 247.335 0.657 20 0 BCADHN C[C@H](CN(C)C)Nc1ccc(C(N)=O)cn1 ZINC000130631648 358637456 /nfs/dbraw/zinc/63/74/56/358637456.db2.gz SAULFXVZZIDHEY-MRVPVSSYSA-N 0 3 222.292 0.543 20 0 BCADHN Cn1nncc1CNCCCn1cccn1 ZINC000129703717 358594451 /nfs/dbraw/zinc/59/44/51/358594451.db2.gz VZNOACSDWJBWQJ-UHFFFAOYSA-N 0 3 220.280 0.192 20 0 BCADHN COCCOCCN[C@@H](C(N)=O)C(C)(C)C ZINC000175655520 134287007 /nfs/dbraw/zinc/28/70/07/134287007.db2.gz GTMIVTSVFNFNHM-VIFPVBQESA-N 0 3 232.324 0.139 20 0 BCADHN C[C@@H](C(=O)NCCC(N)=O)N1CCCCCC1 ZINC000175427788 134287255 /nfs/dbraw/zinc/28/72/55/134287255.db2.gz WQIOPKVJYQUXLT-JTQLQIEISA-N 0 3 241.335 0.243 20 0 BCADHN C[C@@H](O)CN(C)C[C@H](O)COCc1ccco1 ZINC000131204576 358666198 /nfs/dbraw/zinc/66/61/98/358666198.db2.gz ZAJDOIMHAILGEP-MNOVXSKESA-N 0 3 243.303 0.470 20 0 BCADHN CCOC(=O)CCN(CC(N)=O)C(C)(C)C ZINC000131340735 358672533 /nfs/dbraw/zinc/67/25/33/358672533.db2.gz ADGATFDUNWBYEH-UHFFFAOYSA-N 0 3 230.308 0.525 20 0 BCADHN NC(=O)c1ccc(NC(=O)CNCC2CC2)cc1 ZINC000037611854 181298332 /nfs/dbraw/zinc/29/83/32/181298332.db2.gz ONSJMECNQZPNFE-UHFFFAOYSA-N 0 3 247.298 0.724 20 0 BCADHN CCCN(C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000049480443 358690998 /nfs/dbraw/zinc/69/09/98/358690998.db2.gz WDVWLAQBGFFUKB-MRVPVSSYSA-N 0 3 227.308 0.705 20 0 BCADHN Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)on1 ZINC000049515951 358693320 /nfs/dbraw/zinc/69/33/20/358693320.db2.gz DTKAPLOKGRXGSO-SNVBAGLBSA-N 0 3 235.287 0.903 20 0 BCADHN C[C@H]1CC(C(=O)NCCN(C)C)C[C@H](C)O1 ZINC000131938418 358701478 /nfs/dbraw/zinc/70/14/78/358701478.db2.gz JNZXZPDDVUZMGR-UWVGGRQHSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@@H]1COCCCN1CCOCCO ZINC000308419294 491136342 /nfs/dbraw/zinc/13/63/42/491136342.db2.gz MWJAGYJYLPXJAR-SNVBAGLBSA-N 0 3 203.282 0.106 20 0 BCADHN CC[C@@H](COC)NC(=O)N(C)CCN(C)C ZINC000176388370 134291209 /nfs/dbraw/zinc/29/12/09/134291209.db2.gz BZQWZKXCCDWPHS-JTQLQIEISA-N 0 3 231.340 0.614 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)CN(C)C)CN1C1CC1 ZINC000133655002 358762607 /nfs/dbraw/zinc/76/26/07/358762607.db2.gz UFIICKUXOMUXEI-ZJUUUORDSA-N 0 3 225.336 0.289 20 0 BCADHN CCC[C@@](C)(O)CN[C@H]1CCCS(=O)(=O)C1 ZINC000132168525 358709551 /nfs/dbraw/zinc/70/95/51/358709551.db2.gz BKPNXDXVOAASOU-WDEREUQCSA-N 0 3 249.376 0.704 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCOCC1CC1 ZINC000132160638 358709621 /nfs/dbraw/zinc/70/96/21/358709621.db2.gz HNPZXXMQORXGIH-SNVBAGLBSA-N 0 3 249.376 0.826 20 0 BCADHN CCC[C@@](C)(O)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000132168114 358709696 /nfs/dbraw/zinc/70/96/96/358709696.db2.gz BKPNXDXVOAASOU-GHMZBOCLSA-N 0 3 249.376 0.704 20 0 BCADHN CCN(CC)C(=O)CN1CC[C@@H](C)[C@H]1CO ZINC000248974430 535434835 /nfs/dbraw/zinc/43/48/35/535434835.db2.gz UCMAHRKPMAGXGK-GHMZBOCLSA-N 0 3 228.336 0.558 20 0 BCADHN COC(=O)[C@H](C)CN(C)[C@@H]1CCCCNC1=O ZINC000050068790 358712783 /nfs/dbraw/zinc/71/27/83/358712783.db2.gz YSHSTQNZJYTTOE-NXEZZACHSA-N 0 3 242.319 0.396 20 0 BCADHN COC(=O)[C@@H](C)CN(C)CCN1CCOCC1 ZINC000050068921 358712963 /nfs/dbraw/zinc/71/29/63/358712963.db2.gz YOAZBKMNFSUZFZ-NSHDSACASA-N 0 3 244.335 0.060 20 0 BCADHN CCCN(CCN1CCCCC1)CC(=O)NC ZINC000132242822 358714069 /nfs/dbraw/zinc/71/40/69/358714069.db2.gz CKUNQMCTCLNWLM-UHFFFAOYSA-N 0 3 241.379 0.930 20 0 BCADHN O[C@H]1CCCN(CCO[C@@H]2CCCCO2)C1 ZINC000050103549 358714662 /nfs/dbraw/zinc/71/46/62/358714662.db2.gz XCEWHNZGFYOZCO-NWDGAFQWSA-N 0 3 229.320 0.986 20 0 BCADHN OC[C@H]1CCCN1CCO[C@H]1CCCCO1 ZINC000050116837 358716653 /nfs/dbraw/zinc/71/66/53/358716653.db2.gz MTTIAWZLKLYOMC-NEPJUHHUSA-N 0 3 229.320 0.986 20 0 BCADHN OCCOCCN1CCC[C@H](c2cc[nH]n2)C1 ZINC000132581353 358728499 /nfs/dbraw/zinc/72/84/99/358728499.db2.gz BCKIGJWXRUINNE-NSHDSACASA-N 0 3 239.319 0.598 20 0 BCADHN CC[C@H](O)CCNCc1cnc(N(C)C)n1C ZINC000135025283 358817037 /nfs/dbraw/zinc/81/70/37/358817037.db2.gz KALQOAFGKYCLKJ-NSHDSACASA-N 0 3 240.351 0.737 20 0 BCADHN COCCN[C@H](Cc1ccccc1)C(N)=O ZINC000053256947 358820022 /nfs/dbraw/zinc/82/00/22/358820022.db2.gz HZUBHVHFEWDOLL-LLVKDONJSA-N 0 3 222.288 0.319 20 0 BCADHN C[C@H](O)CCN1CCN(CC(C)(C)O)CC1 ZINC000134013929 358775512 /nfs/dbraw/zinc/77/55/12/358775512.db2.gz XFXMVANDYJAQBR-NSHDSACASA-N 0 3 230.352 0.146 20 0 BCADHN CCC[C@@H](O)CN1CCC[C@@]12CCNC2=O ZINC000578245831 366470010 /nfs/dbraw/zinc/47/00/10/366470010.db2.gz ZPMYETALARLXCO-PWSUYJOCSA-N 0 3 226.320 0.502 20 0 BCADHN CCCN1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134307990 358786375 /nfs/dbraw/zinc/78/63/75/358786375.db2.gz DULAAPLQXJZKAW-JTQLQIEISA-N 0 3 234.365 0.799 20 0 BCADHN O=C(NCc1ccc2c(c1)CNC2)c1ccn[nH]1 ZINC000134502513 358793671 /nfs/dbraw/zinc/79/36/71/358793671.db2.gz MIKJDQFOBCNHMI-UHFFFAOYSA-N 0 3 242.282 0.943 20 0 BCADHN Cn1cncc1CNCCC(=O)NC(C)(C)C ZINC000134591342 358797765 /nfs/dbraw/zinc/79/77/65/358797765.db2.gz MZEUKVRMKYLARH-UHFFFAOYSA-N 0 3 238.335 0.815 20 0 BCADHN Cc1ccc(CNCCCOCCO)nc1 ZINC000134668115 358801354 /nfs/dbraw/zinc/80/13/54/358801354.db2.gz KISUNNHNUPEQEQ-UHFFFAOYSA-N 0 3 224.304 0.879 20 0 BCADHN O=C(CNC1(CO)CCCC1)NC1CCCC1 ZINC000053069931 358808313 /nfs/dbraw/zinc/80/83/13/358808313.db2.gz APKQCJPCHDTYPX-UHFFFAOYSA-N 0 3 240.347 0.940 20 0 BCADHN Cn1nccc1CNCCC(=O)NC(C)(C)C ZINC000134834585 358808366 /nfs/dbraw/zinc/80/83/66/358808366.db2.gz BPWJVVTVEQZDJL-UHFFFAOYSA-N 0 3 238.335 0.815 20 0 BCADHN CCN(CC)CC(=O)NCCSCCCO ZINC000135597856 325419070 /nfs/dbraw/zinc/41/90/70/325419070.db2.gz YUVHHRFEDSQUIY-UHFFFAOYSA-N 0 3 248.392 0.560 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@H]1CCCN(C)C1 ZINC000081900808 491137037 /nfs/dbraw/zinc/13/70/37/491137037.db2.gz YGZLUIIKUPRZKD-UWVGGRQHSA-N 0 3 234.365 0.103 20 0 BCADHN Cc1ccncc1CNCCc1ncn(C)n1 ZINC000135466917 358839224 /nfs/dbraw/zinc/83/92/24/358839224.db2.gz VOWZMNIHYJYUJI-UHFFFAOYSA-N 0 3 231.303 0.851 20 0 BCADHN C[C@H](CN1CCCCC1)NCc1cn(C)nn1 ZINC000054860373 358877345 /nfs/dbraw/zinc/87/73/45/358877345.db2.gz HTLUTHXLNOYBSX-LLVKDONJSA-N 0 3 237.351 0.779 20 0 BCADHN CO[C@H](C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000055378060 358886866 /nfs/dbraw/zinc/88/68/66/358886866.db2.gz ATTOAUQIQGEMMN-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN O=C(C1CC(=O)C1)N1CC[C@H](N2CCCC2)C1 ZINC000136863687 358889075 /nfs/dbraw/zinc/88/90/75/358889075.db2.gz SSAPSTQDVHJSNB-NSHDSACASA-N 0 3 236.315 0.662 20 0 BCADHN CC(=O)[C@](C)(O)CN[C@@H]1CCCn2nccc21 ZINC000640220272 358894036 /nfs/dbraw/zinc/89/40/36/358894036.db2.gz LGWCILKXZFWPQG-ZYHUDNBSSA-N 0 3 237.303 0.648 20 0 BCADHN CC[C@@H]1CCCCN1CC(=O)N1CCNC1=O ZINC000057828238 358907144 /nfs/dbraw/zinc/90/71/44/358907144.db2.gz IXYWRKLCYCOIMT-SNVBAGLBSA-N 0 3 239.319 0.803 20 0 BCADHN CC(=O)Nc1cccc(C(=O)NCCN(C)C)c1 ZINC000058060184 358909648 /nfs/dbraw/zinc/90/96/48/358909648.db2.gz QNAUSNDWFLQMLZ-UHFFFAOYSA-N 0 3 249.314 0.936 20 0 BCADHN CN[C@@H](C)C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000306161249 358965903 /nfs/dbraw/zinc/96/59/03/358965903.db2.gz GNXMAYUTRLAUKK-HLTSFMKQSA-N 0 3 216.350 0.947 20 0 BCADHN COCCN(C)CCN[C@@H](C)c1cnn(C)c1 ZINC000061377950 358933371 /nfs/dbraw/zinc/93/33/71/358933371.db2.gz VAGBEYPVEBOPOP-NSHDSACASA-N 0 3 240.351 0.649 20 0 BCADHN NC[C@@H](C(=O)NCCCC(N)=O)c1ccccc1 ZINC000061611841 358935413 /nfs/dbraw/zinc/93/54/13/358935413.db2.gz SKNDBGHIAPVNKJ-LLVKDONJSA-N 0 3 249.314 0.111 20 0 BCADHN Cc1ncc(CN[C@@]2(CCO)CCOC2)n1C ZINC000578338765 366526641 /nfs/dbraw/zinc/52/66/41/366526641.db2.gz WYOTWTOFNGUERA-LBPRGKRZSA-N 0 3 239.319 0.360 20 0 BCADHN NC(=O)C[C@H]1CN(C[C@H]2CCSC2)CCO1 ZINC000628475366 358948519 /nfs/dbraw/zinc/94/85/19/358948519.db2.gz PPHHSMNQWZTAFC-ZJUUUORDSA-N 0 3 244.360 0.316 20 0 BCADHN C[C@H](NCC1(F)CC1)[C@H]1CN(C)CCO1 ZINC000308832167 491138606 /nfs/dbraw/zinc/13/86/06/491138606.db2.gz GNSDWAYHJMYOFZ-VHSXEESVSA-N 0 3 216.300 0.797 20 0 BCADHN C[C@H](NCC1(F)CC1)[C@@H]1CN(C)CCO1 ZINC000308832166 491138608 /nfs/dbraw/zinc/13/86/08/491138608.db2.gz GNSDWAYHJMYOFZ-UWVGGRQHSA-N 0 3 216.300 0.797 20 0 BCADHN O=C1NCC[C@@H]1N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000249011852 359027079 /nfs/dbraw/zinc/02/70/79/359027079.db2.gz JPQDNAKDCFBGHE-AGIUHOORSA-N 0 3 246.310 0.995 20 0 BCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C1CSC1 ZINC000631159173 359028579 /nfs/dbraw/zinc/02/85/79/359028579.db2.gz BWSQEVFRECSSQG-NSHDSACASA-N 0 3 240.372 0.950 20 0 BCADHN CN(C)c1ncc(CN[C@H]2CCCOC2)n1C ZINC000070144251 359042871 /nfs/dbraw/zinc/04/28/71/359042871.db2.gz WDVIJOKRFDJVNJ-JTQLQIEISA-N 0 3 238.335 0.755 20 0 BCADHN C[C@@H](CNCc1cnc(N(C)C)n1C)N(C)C ZINC000070143769 359042951 /nfs/dbraw/zinc/04/29/51/359042951.db2.gz AWKXMEHXFYYIQP-JTQLQIEISA-N 0 3 239.367 0.526 20 0 BCADHN CN(C)c1ncc(CNC[C@@H](O)C2CC2)n1C ZINC000070144234 359043423 /nfs/dbraw/zinc/04/34/23/359043423.db2.gz RMTGOEPLZABVBI-LLVKDONJSA-N 0 3 238.335 0.347 20 0 BCADHN Cc1csc(N2CCCN(CCO)CC2)n1 ZINC000070913720 359066271 /nfs/dbraw/zinc/06/62/71/359066271.db2.gz QJQLIOISRKKEED-UHFFFAOYSA-N 0 3 241.360 0.956 20 0 BCADHN c1nn2ccccc2c1CNC[C@H]1COCCO1 ZINC000071373177 359077886 /nfs/dbraw/zinc/07/78/86/359077886.db2.gz DAULLZGSVRIIIJ-LBPRGKRZSA-N 0 3 247.298 0.839 20 0 BCADHN C[C@@H](CN(C)C[C@H]1CCOC1)CS(C)(=O)=O ZINC000246406667 359078445 /nfs/dbraw/zinc/07/84/45/359078445.db2.gz AULWOEFZQFQFDT-WDEREUQCSA-N 0 3 249.376 0.635 20 0 BCADHN NC(=O)c1ccc(NCCN2CCCC2)nc1 ZINC000105999131 181299747 /nfs/dbraw/zinc/29/97/47/181299747.db2.gz RVTFZOLTYKVPBE-UHFFFAOYSA-N 0 3 234.303 0.688 20 0 BCADHN CCN(CC)C(=O)CN1CCCN(CC)CC1 ZINC000073616093 359104525 /nfs/dbraw/zinc/10/45/25/359104525.db2.gz WEQSMTROGRDVCV-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CC(C)[C@H](N)CNc1nccn(C2CC2)c1=O ZINC000070463629 359056876 /nfs/dbraw/zinc/05/68/76/359056876.db2.gz UATYDFNCALCSCY-SNVBAGLBSA-N 0 3 236.319 0.973 20 0 BCADHN CCCC[C@H](N)C(=O)NCc1nccn1C ZINC000070855002 359065084 /nfs/dbraw/zinc/06/50/84/359065084.db2.gz VJMVFLJKPCXECF-VIFPVBQESA-N 0 3 224.308 0.554 20 0 BCADHN CCCC[C@@H](N)C(=O)NCc1ccnn1C ZINC000070905952 359065234 /nfs/dbraw/zinc/06/52/34/359065234.db2.gz HCXZYUOIQOAXLU-SNVBAGLBSA-N 0 3 224.308 0.554 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000247017574 359184205 /nfs/dbraw/zinc/18/42/05/359184205.db2.gz ZIHNJNGLGDQXCL-BBBLOLIVSA-N 0 3 212.293 0.361 20 0 BCADHN CC[C@@](C)(O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000075227712 359140154 /nfs/dbraw/zinc/14/01/54/359140154.db2.gz LXKVEBVVHVGILR-ZYHUDNBSSA-N 0 3 230.352 0.850 20 0 BCADHN COC(=O)CCN1CCS[C@H]2COCC[C@H]21 ZINC000246613988 359151301 /nfs/dbraw/zinc/15/13/01/359151301.db2.gz DRGYZKNPYAFURQ-ZJUUUORDSA-N 0 3 245.344 0.756 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246753385 359161595 /nfs/dbraw/zinc/16/15/95/359161595.db2.gz PTYCPCQTPJCKLG-AXFHLTTASA-N 0 3 226.320 0.751 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H](CO)CC1CC1 ZINC000308883078 491139626 /nfs/dbraw/zinc/13/96/26/491139626.db2.gz UYHSFISSNXXHHP-WCBMZHEXSA-N 0 3 235.349 0.170 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@@H](COCCOC)C1 ZINC000247217390 359202291 /nfs/dbraw/zinc/20/22/91/359202291.db2.gz CPYKXHPDLQPPQD-GHMZBOCLSA-N 0 3 244.335 0.235 20 0 BCADHN CC[C@H]1C[C@@H](C)CN1C(=O)C(=O)N(C)CCN ZINC000423361059 192731519 /nfs/dbraw/zinc/73/15/19/192731519.db2.gz WTCRVJOHSGFHAX-ZJUUUORDSA-N 0 3 241.335 0.051 20 0 BCADHN COCC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000247257012 359206313 /nfs/dbraw/zinc/20/63/13/359206313.db2.gz DWICLZKBYOOMNR-VHSXEESVSA-N 0 3 214.309 0.431 20 0 BCADHN C[C@@H]1CCCN1C(=O)CCN1CC[C@H](O)C1 ZINC000075715812 359206450 /nfs/dbraw/zinc/20/64/50/359206450.db2.gz FJPSGQBILHUOCX-MNOVXSKESA-N 0 3 226.320 0.454 20 0 BCADHN CC(C)N(C)CC(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000247314465 359211968 /nfs/dbraw/zinc/21/19/68/359211968.db2.gz HREGRJQMQUWNNX-VXGBXAGGSA-N 0 3 242.363 0.994 20 0 BCADHN COCCN1CCS[C@H]2COCC[C@H]21 ZINC000247425528 359220094 /nfs/dbraw/zinc/22/00/94/359220094.db2.gz ZKGGEIRDUWVQFE-ZJUUUORDSA-N 0 3 217.334 0.839 20 0 BCADHN CCOCC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000247437123 359220981 /nfs/dbraw/zinc/22/09/81/359220981.db2.gz PDHZDLLGKZKDPE-MNOVXSKESA-N 0 3 228.336 0.822 20 0 BCADHN CO[C@H]1CN(C(=O)CN2CC[C@@H](C)C2)CCO1 ZINC000613808925 363645219 /nfs/dbraw/zinc/64/52/19/363645219.db2.gz AYUAESSWLRYOSD-ZYHUDNBSSA-N 0 3 242.319 0.160 20 0 BCADHN Cc1nccnc1C(=O)NCC1(N(C)C)CCC1 ZINC000613795641 363641816 /nfs/dbraw/zinc/64/18/16/363641816.db2.gz GXUXVKDUGOPNGC-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN CCCN(C)CC(=O)N1CCO[C@@H](OC)C1 ZINC000613817442 363642117 /nfs/dbraw/zinc/64/21/17/363642117.db2.gz FSDUSRRDHWRMHY-LLVKDONJSA-N 0 3 230.308 0.160 20 0 BCADHN CN(C)C1(CN(C)C(=O)c2ncc[nH]2)CCC1 ZINC000613799170 363642753 /nfs/dbraw/zinc/64/27/53/363642753.db2.gz OGODDBIRZUPBDB-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN CO[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CCO1 ZINC000613816179 363648861 /nfs/dbraw/zinc/64/88/61/363648861.db2.gz MDAGFIYSDWWHKU-QWRGUYRKSA-N 0 3 244.335 0.404 20 0 BCADHN Cc1ncccc1CN[C@@H]1CCOC[C@H]1O ZINC000623764229 359341947 /nfs/dbraw/zinc/34/19/47/359341947.db2.gz AMQBABXVLJUEFN-VXGBXAGGSA-N 0 3 222.288 0.629 20 0 BCADHN Cc1ncc(CNCCCn2cncn2)cn1 ZINC000613776735 363650303 /nfs/dbraw/zinc/65/03/03/363650303.db2.gz ITSWOMJQBIMRJA-UHFFFAOYSA-N 0 3 232.291 0.556 20 0 BCADHN CCOC(=O)CN(C)C(=O)C1CCN(C)CC1 ZINC000260249284 359347386 /nfs/dbraw/zinc/34/73/86/359347386.db2.gz XFKLBORVKXAYEJ-UHFFFAOYSA-N 0 3 242.319 0.350 20 0 BCADHN CO[C@H]1CCC[C@H](NC2(C(N)=O)CC2)C1 ZINC000308921657 491140251 /nfs/dbraw/zinc/14/02/51/491140251.db2.gz HFWNPZZOTBLFRS-IUCAKERBSA-N 0 3 212.293 0.552 20 0 BCADHN O[C@H](CCNCc1cn[nH]c1)C(F)(F)F ZINC000308920783 491140162 /nfs/dbraw/zinc/14/01/62/491140162.db2.gz ITFNCISOILLJJG-SSDOTTSWSA-N 0 3 223.198 0.813 20 0 BCADHN CCc1ncncc1C(=O)NC[C@@H](C)N(C)C ZINC000611828554 359454811 /nfs/dbraw/zinc/45/48/11/359454811.db2.gz WCQXRSKZPOJLDR-SECBINFHSA-N 0 3 236.319 0.719 20 0 BCADHN CO[C@@H](C(=O)N(C)CCN(C)C)[C@H]1CCOC1 ZINC000611824091 359457579 /nfs/dbraw/zinc/45/75/79/359457579.db2.gz ZTFINXXOHRMALW-WDEREUQCSA-N 0 3 244.335 0.058 20 0 BCADHN CC1(C)CN(C(=O)c2ncc[nH]2)CCN1 ZINC000611892815 359473837 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NCC(=O)N[C@H]1CCc2ccccc2C1 ZINC000051632122 181356080 /nfs/dbraw/zinc/35/60/80/181356080.db2.gz ZJCRNRNEIKQBRS-NSHDSACASA-N 0 3 204.273 0.619 20 0 BCADHN CN(C)CCNC(=O)C1(c2ccccn2)CC1 ZINC000630408158 364139949 /nfs/dbraw/zinc/13/99/49/364139949.db2.gz IMDIBLJMCPYOHM-UHFFFAOYSA-N 0 3 233.315 0.791 20 0 BCADHN CN(C)Cc1cccc(-c2nn(C)c(=O)n2C)c1 ZINC000630487339 364180957 /nfs/dbraw/zinc/18/09/57/364180957.db2.gz RBGBCYWYKVAFHW-UHFFFAOYSA-N 0 3 246.314 0.847 20 0 BCADHN COc1ccnc(C(=O)NC[C@H]2CCN(C)C2)c1 ZINC000116178157 370742869 /nfs/dbraw/zinc/74/28/69/370742869.db2.gz GUHKJDDALSYZQH-SNVBAGLBSA-N 0 3 249.314 0.772 20 0 BCADHN COc1ccnc(C(=O)NC[C@@H]2CCCN2C)c1 ZINC000116200835 370744171 /nfs/dbraw/zinc/74/41/71/370744171.db2.gz OIBBBUCALFKCDZ-JTQLQIEISA-N 0 3 249.314 0.914 20 0 BCADHN c1[n-][nH]c2ncnc(=N[C@@H]3CC[NH2+]C34CCC4)c1-2 ZINC000630524939 364212551 /nfs/dbraw/zinc/21/25/51/364212551.db2.gz WMTGCDKLZYKQEZ-SECBINFHSA-N 0 3 244.302 0.423 20 0 BCADHN CCOC(=O)C[C@@H](O)CN(C)[C@H]1CCSC1 ZINC000250653746 364187109 /nfs/dbraw/zinc/18/71/09/364187109.db2.gz ADVCUOFUFFQGOP-VHSXEESVSA-N 0 3 247.360 0.738 20 0 BCADHN C[C@@H](CNC(=O)[C@H](C)OCC1CC1)N(C)C ZINC000068286011 370768922 /nfs/dbraw/zinc/76/89/22/370768922.db2.gz VPONDBODPNPMMD-UWVGGRQHSA-N 0 3 228.336 0.868 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](CO)C1 ZINC000622226384 370776220 /nfs/dbraw/zinc/77/62/20/370776220.db2.gz WNZFYEVNBXFDHR-NEPJUHHUSA-N 0 3 242.363 0.805 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000622227970 370777143 /nfs/dbraw/zinc/77/71/43/370777143.db2.gz QDXYUAZGHOACSG-VXGBXAGGSA-N 0 3 242.363 0.804 20 0 BCADHN CC[C@H](NC(C)=O)C(=O)NCCN1CCCC1 ZINC000630574491 364270527 /nfs/dbraw/zinc/27/05/27/364270527.db2.gz QZHDBIHBEMKWQY-NSHDSACASA-N 0 3 241.335 0.113 20 0 BCADHN O=C(CC1CSC1)NCCN1CCCC1 ZINC000630575464 364272173 /nfs/dbraw/zinc/27/21/73/364272173.db2.gz ZYCOHUAUPWMIBC-UHFFFAOYSA-N 0 3 228.361 0.952 20 0 BCADHN CCC[C@H](N)c1cn(C[C@H]2COCCO2)nn1 ZINC000630601261 364321978 /nfs/dbraw/zinc/32/19/78/364321978.db2.gz ILZXDSSFDWNAHR-UWVGGRQHSA-N 0 3 240.307 0.493 20 0 BCADHN CC(C)[C@@H](N)c1cn(C[C@H]2COCCO2)nn1 ZINC000630603185 364325528 /nfs/dbraw/zinc/32/55/28/364325528.db2.gz ZYCQAXWACLNCNH-GXSJLCMTSA-N 0 3 240.307 0.349 20 0 BCADHN CCCCn1cc(C[C@@H](N)COC)nn1 ZINC000630588171 364295699 /nfs/dbraw/zinc/29/56/99/364295699.db2.gz ZFSWSHIBMLQOEW-SECBINFHSA-N 0 3 212.297 0.594 20 0 BCADHN COC[C@H](N)Cc1cn(-c2nccs2)nn1 ZINC000630586821 364297816 /nfs/dbraw/zinc/29/78/16/364297816.db2.gz RMLZEUQKSNPQAB-SSDOTTSWSA-N 0 3 239.304 0.240 20 0 BCADHN c1ncn(Cc2cn(CCN3CCCC3)nn2)n1 ZINC000630617363 364352616 /nfs/dbraw/zinc/35/26/16/364352616.db2.gz ABPVNTQTVRADMA-UHFFFAOYSA-N 0 3 247.306 0.014 20 0 BCADHN C/C=C/c1cn(C[C@@H]2CNCCO2)nn1 ZINC000630616960 364354055 /nfs/dbraw/zinc/35/40/55/364354055.db2.gz OXKRPYRAZKUJLF-PBKGFPTLSA-N 0 3 208.265 0.300 20 0 BCADHN COC[C@H](CC(C)(C)C)N[C@@H]1COC[C@@H]1O ZINC000631673227 364361789 /nfs/dbraw/zinc/36/17/89/364361789.db2.gz GRNDRJWFQNUVDO-AXFHLTTASA-N 0 3 231.336 0.787 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CC(=O)N(CC)C1 ZINC000452994215 202680561 /nfs/dbraw/zinc/68/05/61/202680561.db2.gz PTMMPBTVGAWPBR-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN C[C@H]1CCN(CC(=O)NCCc2cn[nH]c2)C1 ZINC000615027069 364393197 /nfs/dbraw/zinc/39/31/97/364393197.db2.gz XPYPBIBIVORXAR-JTQLQIEISA-N 0 3 236.319 0.410 20 0 BCADHN C[C@@H]1OCC[C@H]1N[C@@H]1CCCS(=O)(=O)C1 ZINC000134215173 364394397 /nfs/dbraw/zinc/39/43/97/364394397.db2.gz ZXLMQKPNDIKKTN-IVZWLZJFSA-N 0 3 233.333 0.331 20 0 BCADHN C[C@H]1OCC[C@@H]1NCC(=O)NCC1CC1 ZINC000134253444 364395765 /nfs/dbraw/zinc/39/57/65/364395765.db2.gz PGQZOPBQANTOGA-SCZZXKLOSA-N 0 3 212.293 0.280 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCO[C@H]1C ZINC000134256701 364397320 /nfs/dbraw/zinc/39/73/20/364397320.db2.gz QVALLVMKODAFGC-QEYWKRMJSA-N 0 3 214.309 0.653 20 0 BCADHN c1c(C2CC2)nnn1C[C@@H]1CNCCO1 ZINC000630615684 364351456 /nfs/dbraw/zinc/35/14/56/364351456.db2.gz AWHXRXVQYNZTPD-VIFPVBQESA-N 0 3 208.265 0.144 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)NC2CCOCC2)C1 ZINC000170832384 364436001 /nfs/dbraw/zinc/43/60/01/364436001.db2.gz SXFDSQYAANTCRQ-LLVKDONJSA-N 0 3 241.335 0.511 20 0 BCADHN Cc1n[nH]cc1[C@@H](C)NC[C@@]1(O)CCOC1 ZINC000134596451 541358165 /nfs/dbraw/zinc/35/81/65/541358165.db2.gz JMRLDVRGHXQLIN-KCJUWKMLSA-N 0 3 225.292 0.520 20 0 BCADHN CC(C)N(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000630690162 364459576 /nfs/dbraw/zinc/45/95/76/364459576.db2.gz BRUYEAINKAOOMP-UHFFFAOYSA-N 0 3 238.335 0.925 20 0 BCADHN C[C@H](O)[C@H]1CCN(Cc2ccnn2C)C1 ZINC000134673040 364411163 /nfs/dbraw/zinc/41/11/63/364411163.db2.gz MDGKTGTZZSWSNB-UWVGGRQHSA-N 0 3 209.293 0.623 20 0 BCADHN C[C@H](O)[C@@H]1CCN(Cc2ccnn2C)C1 ZINC000134672998 364411746 /nfs/dbraw/zinc/41/17/46/364411746.db2.gz MDGKTGTZZSWSNB-VHSXEESVSA-N 0 3 209.293 0.623 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CCCSCC1 ZINC000135022589 364423280 /nfs/dbraw/zinc/42/32/80/364423280.db2.gz HXPKRPFUQNCOQF-JTQLQIEISA-N 0 3 247.360 0.739 20 0 BCADHN Cc1ncc(CNC[C@H]2CCCO2)n1C ZINC000579495898 366833322 /nfs/dbraw/zinc/83/33/22/366833322.db2.gz QEHLTEGESIEOHV-LLVKDONJSA-N 0 3 209.293 0.997 20 0 BCADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCC2(C)C)C[C@@H]1O ZINC000615079723 364462612 /nfs/dbraw/zinc/46/26/12/364462612.db2.gz XTSGAMHNEQSYGV-DCAQKATOSA-N 0 3 240.347 0.556 20 0 BCADHN OCCN[C@]1(CO)CCc2ccccc21 ZINC000136182977 364465317 /nfs/dbraw/zinc/46/53/17/364465317.db2.gz DDXLXGMOLAUXBH-LBPRGKRZSA-N 0 3 207.273 0.402 20 0 BCADHN CCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000136355104 364470368 /nfs/dbraw/zinc/47/03/68/364470368.db2.gz PDALGWWVBZZXTO-VIFPVBQESA-N 0 3 211.309 0.932 20 0 BCADHN CON1CCC(C(=O)NC[C@@H](C)N(C)C)CC1 ZINC000630716437 364495122 /nfs/dbraw/zinc/49/51/22/364495122.db2.gz OHUGITZLZSLCRL-SNVBAGLBSA-N 0 3 243.351 0.326 20 0 BCADHN COc1cccnc1C(=O)NC[C@@H](C)N(C)C ZINC000630717517 364498117 /nfs/dbraw/zinc/49/81/17/364498117.db2.gz YIOOUZYZSVCJNA-SECBINFHSA-N 0 3 237.303 0.770 20 0 BCADHN CCOC(C)(C)C(=O)NC[C@H](C)N(C)C ZINC000630717468 364498132 /nfs/dbraw/zinc/49/81/32/364498132.db2.gz XMLXHUXNTVIXCE-VIFPVBQESA-N 0 3 216.325 0.868 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000170854950 364531313 /nfs/dbraw/zinc/53/13/13/364531313.db2.gz NPMFYFUNCNQTGN-ZJUUUORDSA-N 0 3 212.293 0.185 20 0 BCADHN Cc1cnccc1CN[C@@H]1COCC[C@H]1O ZINC000631271798 364553882 /nfs/dbraw/zinc/55/38/82/364553882.db2.gz IPSBEMINILOKRD-VXGBXAGGSA-N 0 3 222.288 0.629 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@@H](N2CCCC2)C1 ZINC000245671110 364554177 /nfs/dbraw/zinc/55/41/77/364554177.db2.gz DMVUFPSXTCKQJT-MNOVXSKESA-N 0 3 223.320 0.045 20 0 BCADHN O=c1ccc(CN[C@@H]2COCC[C@H]2O)c[nH]1 ZINC000631271943 364556299 /nfs/dbraw/zinc/55/62/99/364556299.db2.gz OMUPNPAITLPDRF-NXEZZACHSA-N 0 3 224.260 0.027 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCCN(C[C@H]2C[C@@H]2C)C1 ZINC000579544864 366859241 /nfs/dbraw/zinc/85/92/41/366859241.db2.gz JSOKZXNXFQHCTR-HBNTYKKESA-N 0 3 246.376 0.656 20 0 BCADHN O=C(N[C@@H]1CCN(C2CC2)C1)C1CSC1 ZINC000630826513 364582194 /nfs/dbraw/zinc/58/21/94/364582194.db2.gz ORPXVAFKKBYJLW-SECBINFHSA-N 0 3 226.345 0.702 20 0 BCADHN CC(=O)NCCCN(C)CC1=CCCOC1 ZINC000093533008 541372772 /nfs/dbraw/zinc/37/27/72/541372772.db2.gz HVQUKMGYSNEOEJ-UHFFFAOYSA-N 0 3 226.320 0.791 20 0 BCADHN COCC[C@@H](C)N1CCc2n[nH]nc2C1 ZINC000429285008 541373196 /nfs/dbraw/zinc/37/31/96/541373196.db2.gz FIZSJDGYFSHVAJ-MRVPVSSYSA-N 0 3 210.281 0.588 20 0 BCADHN CCC[C@@H](OCC)C(=O)N[C@H](CO)CN(C)C ZINC000627275496 364673905 /nfs/dbraw/zinc/67/39/05/364673905.db2.gz LSWKLBAXNMJYCV-WDEREUQCSA-N 0 3 246.351 0.230 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CCC[C@H]1CCO ZINC000253232378 364685444 /nfs/dbraw/zinc/68/54/44/364685444.db2.gz FCTYJZASJGUISD-VWYCJHECSA-N 0 3 249.376 0.560 20 0 BCADHN COc1cc(CNC[C@@H](C)CO)sn1 ZINC000399033878 364737068 /nfs/dbraw/zinc/73/70/68/364737068.db2.gz MAFYCYSOHMSLMY-SSDOTTSWSA-N 0 3 216.306 0.870 20 0 BCADHN CCCN1CC[C@@H](NC(=O)[C@@](C)(O)C(C)C)C1 ZINC000619898689 364702876 /nfs/dbraw/zinc/70/28/76/364702876.db2.gz UGTSGPFRFQRPIL-YPMHNXCESA-N 0 3 242.363 0.994 20 0 BCADHN CCCN1CC[C@@H](NC(=O)CC(=O)NCC)C1 ZINC000619899443 364709455 /nfs/dbraw/zinc/70/94/55/364709455.db2.gz ZQJXNLGUCMDHJJ-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN CN(Cc1ncc[nH]1)C(=O)[C@@H](N)C1CCC1 ZINC000399050293 364750958 /nfs/dbraw/zinc/75/09/58/364750958.db2.gz VAWSJFHMIGZIKN-JTQLQIEISA-N 0 3 222.292 0.496 20 0 BCADHN CN(C)CCn1nccc1NC(=O)c1ncc[nH]1 ZINC000615377589 364761653 /nfs/dbraw/zinc/76/16/53/364761653.db2.gz RUGSNISQUVCWLA-UHFFFAOYSA-N 0 3 248.290 0.420 20 0 BCADHN CCN(CC)CCNC[C@H](C)S(C)(=O)=O ZINC000167709361 364805533 /nfs/dbraw/zinc/80/55/33/364805533.db2.gz ARDTUASZEOJZGP-JTQLQIEISA-N 0 3 236.381 0.351 20 0 BCADHN C[C@@H](C(=O)NC1CC1)N(C)CCN1CCCC1 ZINC000089898906 325670748 /nfs/dbraw/zinc/67/07/48/325670748.db2.gz ZREYZZCMJJSXEA-NSHDSACASA-N 0 3 239.363 0.681 20 0 BCADHN CCC[C@H](C)[C@H](CO)NCC(=O)NC(C)C ZINC000573497307 364848586 /nfs/dbraw/zinc/84/85/86/364848586.db2.gz WPBVANBTYTWTIQ-QWRGUYRKSA-N 0 3 230.352 0.898 20 0 BCADHN O=C(NC[C@H]1CNCCO1)[C@@H]1C[C@H]1C1CCC1 ZINC000573382592 364818008 /nfs/dbraw/zinc/81/80/08/364818008.db2.gz UDUSBDDPZGPFKI-GRYCIOLGSA-N 0 3 238.331 0.527 20 0 BCADHN Cn1cncc1CCc1nc(C2(N)CCC2)no1 ZINC000573563494 364861600 /nfs/dbraw/zinc/86/16/00/364861600.db2.gz CTPMGYVPVINETG-UHFFFAOYSA-N 0 3 247.302 0.926 20 0 BCADHN CN1CCN(CCN2CCNC2=O)CC1(C)C ZINC000573455404 364838287 /nfs/dbraw/zinc/83/82/87/364838287.db2.gz HTDKDYREQAZNFN-UHFFFAOYSA-N 0 3 240.351 0.038 20 0 BCADHN CN[C@H](C)C(=O)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000573458192 364839252 /nfs/dbraw/zinc/83/92/52/364839252.db2.gz MHEQUZXIFYMCFB-ADEWGFFLSA-N 0 3 249.314 0.636 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CC12CCCC2 ZINC000573475804 364843225 /nfs/dbraw/zinc/84/32/25/364843225.db2.gz BAGMFWLHVLTBDR-QWRGUYRKSA-N 0 3 238.331 0.671 20 0 BCADHN CO[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000573799853 364911793 /nfs/dbraw/zinc/91/17/93/364911793.db2.gz GDFFSVXIWZQPIT-QCLAVDOMSA-N 0 3 230.283 0.370 20 0 BCADHN CC(C)(C)[C@H](O)CN1CCC[C@@]12CCNC2=O ZINC000573695588 364895398 /nfs/dbraw/zinc/89/53/98/364895398.db2.gz OCJGVJAALKRUII-MFKMUULPSA-N 0 3 240.347 0.748 20 0 BCADHN [NH3+][C@H]1C[C@@H](C(=O)NCc2ncccc2[O-])C1 ZINC000573724409 364903989 /nfs/dbraw/zinc/90/39/89/364903989.db2.gz MSOLEUIZFOGLKE-OCAPTIKFSA-N 0 3 221.260 0.141 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000573847557 364929721 /nfs/dbraw/zinc/92/97/21/364929721.db2.gz JIEDYHOBSBRRJV-NXEZZACHSA-N 0 3 235.287 0.067 20 0 BCADHN C[C@@H](CNC(=O)c1ncn(C)n1)N1CCCC1 ZINC000573885641 364937952 /nfs/dbraw/zinc/93/79/52/364937952.db2.gz OKPYBYXDMGOZQR-VIFPVBQESA-N 0 3 237.307 0.029 20 0 BCADHN C[C@@H](O)[C@H](C)NCc1n[nH]c(C(C)(C)C)n1 ZINC000573913208 364943085 /nfs/dbraw/zinc/94/30/85/364943085.db2.gz APJGADLLZBOKBP-JGVFFNPUSA-N 0 3 226.324 0.961 20 0 BCADHN C[C@@H](O)[C@H](C)[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000573913208 364943089 /nfs/dbraw/zinc/94/30/89/364943089.db2.gz APJGADLLZBOKBP-JGVFFNPUSA-N 0 3 226.324 0.961 20 0 BCADHN CC(C)N(CCO)CCn1ccccc1=O ZINC000149128837 541412361 /nfs/dbraw/zinc/41/23/61/541412361.db2.gz ALLAAOBICZGUMS-UHFFFAOYSA-N 0 3 224.304 0.551 20 0 BCADHN COc1nc(C)cc(N2C[C@H](C)NC[C@@H]2C)n1 ZINC000573945243 364952582 /nfs/dbraw/zinc/95/25/82/364952582.db2.gz VGSVTOIVBJWSRW-UWVGGRQHSA-N 0 3 236.319 0.980 20 0 BCADHN CCN1CC[C@H](NC(=O)N2CCCOCC2)C1 ZINC000334600919 541416225 /nfs/dbraw/zinc/41/62/25/541416225.db2.gz DJLOHTBCZMAWAC-NSHDSACASA-N 0 3 241.335 0.513 20 0 BCADHN CN(C)[C@H]1CN(C(=O)c2ccsc2)C[C@@H]1O ZINC000574106700 364988478 /nfs/dbraw/zinc/98/84/78/364988478.db2.gz JRQQTVSNYYFTQT-UWVGGRQHSA-N 0 3 240.328 0.495 20 0 BCADHN CC(=O)c1ccc(C(=O)N(C)[C@@H](C)CN)o1 ZINC000574038036 364971988 /nfs/dbraw/zinc/97/19/88/364971988.db2.gz RMGGNFLPIUTJRJ-ZETCQYMHSA-N 0 3 224.260 0.901 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCOC(C)(C)C2)C1 ZINC000574050928 364977350 /nfs/dbraw/zinc/97/73/50/364977350.db2.gz CJTAXOKRWTZOLT-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CNC(=O)CCN1CCN(c2ccncc2)CC1 ZINC000151311053 541440859 /nfs/dbraw/zinc/44/08/59/541440859.db2.gz KARALMCSCLDULK-UHFFFAOYSA-N 0 3 248.330 0.340 20 0 BCADHN CC(C)OC(=O)CCCNC(=O)C1(N)CC1 ZINC000574443020 365061449 /nfs/dbraw/zinc/06/14/49/365061449.db2.gz FXPQCCZEDCFPEF-UHFFFAOYSA-N 0 3 228.292 0.326 20 0 BCADHN Cc1cccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000574289804 365030996 /nfs/dbraw/zinc/03/09/96/365030996.db2.gz AJXPSLWNIRKKER-MNOVXSKESA-N 0 3 246.314 0.138 20 0 BCADHN CC1(C)CCN(CC(=O)N[C@@H]2C[C@H]2CO)C1 ZINC000574292923 365032485 /nfs/dbraw/zinc/03/24/85/365032485.db2.gz VQYCFLMZCJAYOV-VHSXEESVSA-N 0 3 226.320 0.215 20 0 BCADHN [NH3+]CCCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000574317028 365035125 /nfs/dbraw/zinc/03/51/25/365035125.db2.gz PLGREWHDAQFOFT-UHFFFAOYSA-N 0 3 246.274 0.544 20 0 BCADHN [NH3+]CCCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000574317028 365035130 /nfs/dbraw/zinc/03/51/30/365035130.db2.gz PLGREWHDAQFOFT-UHFFFAOYSA-N 0 3 246.274 0.544 20 0 BCADHN [NH3+]CCCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000574317028 365035134 /nfs/dbraw/zinc/03/51/34/365035134.db2.gz PLGREWHDAQFOFT-UHFFFAOYSA-N 0 3 246.274 0.544 20 0 BCADHN [NH3+]CC[N-]C(=O)C(F)(F)c1ccccc1 ZINC000195120036 181392921 /nfs/dbraw/zinc/39/29/21/181392921.db2.gz CWXDSEWWMVUEEI-UHFFFAOYSA-N 0 3 214.215 0.853 20 0 BCADHN NCCNC(=O)CCC(=O)c1ccccc1 ZINC000074319858 181393710 /nfs/dbraw/zinc/39/37/10/181393710.db2.gz AXHOKXRMABLOMR-UHFFFAOYSA-N 0 3 220.272 0.724 20 0 BCADHN CN1CCC[C@H]1CNC(=O)CCC(C)(C)O ZINC000574582681 365096008 /nfs/dbraw/zinc/09/60/08/365096008.db2.gz BCGTUHRFQDBDTD-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CC[S@@](=O)[C@@H](C)C1 ZINC000574634513 365107719 /nfs/dbraw/zinc/10/77/19/365107719.db2.gz AJPAPDXKVWPRRY-OMQMVUIESA-N 0 3 244.360 0.106 20 0 BCADHN NCC(=O)NCc1ccn(C2CCCC2)n1 ZINC000574638688 365108772 /nfs/dbraw/zinc/10/87/72/365108772.db2.gz CONRYSUVCAIILQ-UHFFFAOYSA-N 0 3 222.292 0.573 20 0 BCADHN CCOC(=O)C[C@H](C)CNC(=O)[C@@H]1C[C@@H]1N ZINC000574647218 365111972 /nfs/dbraw/zinc/11/19/72/365111972.db2.gz LSLFYILFRKXTMB-YIZRAAEISA-N 0 3 228.292 0.039 20 0 BCADHN CN[C@@H](C)C(=O)N[C@H](c1ncc[nH]1)C(C)C ZINC000574650500 365113301 /nfs/dbraw/zinc/11/33/01/365113301.db2.gz BEECTLUAAIYYNS-IUCAKERBSA-N 0 3 224.308 0.831 20 0 BCADHN CC[C@H](O)CN1CCC[C@@]12CCNC2=O ZINC000574700727 365125900 /nfs/dbraw/zinc/12/59/00/365125900.db2.gz HZEJPKJAPAYCRO-ONGXEEELSA-N 0 3 212.293 0.112 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@]1(C)CCCO1 ZINC000087254020 365128326 /nfs/dbraw/zinc/12/83/26/365128326.db2.gz KTSHZAXLWJMFDO-PSASIEDQSA-N 0 3 200.282 0.409 20 0 BCADHN CSCC[C@@H](N)C(=O)N1CCNC(C)(C)C1 ZINC000574754617 365135182 /nfs/dbraw/zinc/13/51/82/365135182.db2.gz ICWYHKGDROKVKE-SECBINFHSA-N 0 3 245.392 0.277 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)CN1CC[C@H](C)C1 ZINC000574821833 365152760 /nfs/dbraw/zinc/15/27/60/365152760.db2.gz QNJNVNQMTVCLRY-RYUDHWBXSA-N 0 3 242.363 0.851 20 0 BCADHN CC(C)[C@H](O)CCNC(=O)CN1CC[C@H](C)C1 ZINC000574821832 365153132 /nfs/dbraw/zinc/15/31/32/365153132.db2.gz QNJNVNQMTVCLRY-NWDGAFQWSA-N 0 3 242.363 0.851 20 0 BCADHN Cc1cccc(CN(C[C@H](C)O)[C@@H](C)CO)n1 ZINC000443329942 193017074 /nfs/dbraw/zinc/01/70/74/193017074.db2.gz BBFSWXRMTCBOKY-RYUDHWBXSA-N 0 3 238.331 0.954 20 0 BCADHN Cc1noc(CCCNC(=O)C2(N)CCC2)n1 ZINC000574873191 365163352 /nfs/dbraw/zinc/16/33/52/365163352.db2.gz FERUQZZHPSRVQU-UHFFFAOYSA-N 0 3 238.291 0.308 20 0 BCADHN CCc1onc(C)c1NC(=O)COC1CNC1 ZINC000574875297 365164954 /nfs/dbraw/zinc/16/49/54/365164954.db2.gz XGCAEHDNGIGMIJ-UHFFFAOYSA-N 0 3 239.275 0.472 20 0 BCADHN COC[C@@H](NC(=O)N[C@@H](C)CN(C)C)C(C)C ZINC000554505859 325722367 /nfs/dbraw/zinc/72/23/67/325722367.db2.gz UBJBNQRWVRFJCG-WDEREUQCSA-N 0 3 245.367 0.907 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCC2=CCOCC2)C1 ZINC000574769767 365140939 /nfs/dbraw/zinc/14/09/39/365140939.db2.gz BREKAXVKOAYCGZ-LLVKDONJSA-N 0 3 238.331 0.791 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CCCO ZINC000443006060 193010273 /nfs/dbraw/zinc/01/02/73/193010273.db2.gz VXYFKHQLIFMXSA-PHIMTYICSA-N 0 3 228.336 0.700 20 0 BCADHN CCC[C@](C)(N)C(=O)Nc1nnc(C)n1C ZINC000574809135 365148810 /nfs/dbraw/zinc/14/88/10/365148810.db2.gz NHXDTEBRPFOOBK-JTQLQIEISA-N 0 3 225.296 0.580 20 0 BCADHN CCC[C@@H](C)CN1CC[C@H](S(N)(=O)=O)C1 ZINC000443850296 193030619 /nfs/dbraw/zinc/03/06/19/193030619.db2.gz FWHBXUALHYHNJB-ZJUUUORDSA-N 0 3 234.365 0.785 20 0 BCADHN Cn1nccc1CC(=O)NCCN1CCCC1 ZINC000443920946 193031774 /nfs/dbraw/zinc/03/17/74/193031774.db2.gz LUJKBBWWRAXAFY-UHFFFAOYSA-N 0 3 236.319 0.175 20 0 BCADHN C[C@H]1CCCCN1CCNC(=O)CN(C)C ZINC000171377973 365195134 /nfs/dbraw/zinc/19/51/34/365195134.db2.gz KZOZWUJURTVQFS-NSHDSACASA-N 0 3 227.352 0.539 20 0 BCADHN COC[C@@H](NC(=O)[C@@H]1C[C@@H]1N)C(C)C ZINC000575115514 365205501 /nfs/dbraw/zinc/20/55/01/365205501.db2.gz BKNMOYZSCVCAQR-HRDYMLBCSA-N 0 3 200.282 0.121 20 0 BCADHN O=C(CNC1CC1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000575116057 365205975 /nfs/dbraw/zinc/20/59/75/365205975.db2.gz FHWJHGKALGGZTA-MXWKQRLJSA-N 0 3 224.304 0.422 20 0 BCADHN CO[C@H](C)CNC(=O)NCC1(N(C)C)CCC1 ZINC000443560810 193024456 /nfs/dbraw/zinc/02/44/56/193024456.db2.gz ZMHWXTJQRSBJEN-SNVBAGLBSA-N 0 3 243.351 0.805 20 0 BCADHN CO[C@@H](C)CNC(=O)NCC1(N(C)C)CCC1 ZINC000443560809 193024771 /nfs/dbraw/zinc/02/47/71/193024771.db2.gz ZMHWXTJQRSBJEN-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN C[C@@H](N)C(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000575121516 365210890 /nfs/dbraw/zinc/21/08/90/365210890.db2.gz UMIPYRIEQOGXMZ-OUAUKWLOSA-N 0 3 228.336 0.781 20 0 BCADHN CO[C@H](C)CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000443620048 193026715 /nfs/dbraw/zinc/02/67/15/193026715.db2.gz CJLKGVKVFBQGFS-HBNTYKKESA-N 0 3 243.351 0.803 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCn1ccnc1 ZINC000575176002 365228719 /nfs/dbraw/zinc/22/87/19/365228719.db2.gz AMEDEECPDSREET-GFCCVEGCSA-N 0 3 222.336 0.909 20 0 BCADHN O=C(Nc1ccc(N2CCCC2)cn1)[C@H]1CCN1 ZINC000444166954 193039529 /nfs/dbraw/zinc/03/95/29/193039529.db2.gz KODANDOFCYFUQU-LLVKDONJSA-N 0 3 246.314 0.982 20 0 BCADHN CCCNC(=O)[C@@H](C)N1CCC[C@H](N(C)C)C1 ZINC000068554563 370809736 /nfs/dbraw/zinc/80/97/36/370809736.db2.gz NXDGIMPJQVTWCN-NEPJUHHUSA-N 0 3 241.379 0.927 20 0 BCADHN CC[C@H](C(=O)N1CC(C(C)(C)O)C1)N(C)C ZINC000444544367 193049966 /nfs/dbraw/zinc/04/99/66/193049966.db2.gz GMFKRANHPZESME-SNVBAGLBSA-N 0 3 228.336 0.556 20 0 BCADHN CCN1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC000575194471 365236918 /nfs/dbraw/zinc/23/69/18/365236918.db2.gz IRENFVKOLISRQS-NWDGAFQWSA-N 0 3 239.363 0.539 20 0 BCADHN CCN1CC[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC000575194472 365236990 /nfs/dbraw/zinc/23/69/90/365236990.db2.gz IRENFVKOLISRQS-RYUDHWBXSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)C)CCS1 ZINC000192191985 365282292 /nfs/dbraw/zinc/28/22/92/365282292.db2.gz CNLDNIWKNUDXCE-VIFPVBQESA-N 0 3 216.350 0.902 20 0 BCADHN COC[C@@H](O)CN[C@H]1c2ccccc2C[C@H]1O ZINC000575312112 365284766 /nfs/dbraw/zinc/28/47/66/365284766.db2.gz DDQBZOPAFNNXKQ-UHTWSYAYSA-N 0 3 237.299 0.242 20 0 BCADHN C[C@@H](CN(C)C)NC[C@@](C)(O)C(F)(F)F ZINC000379828917 365285545 /nfs/dbraw/zinc/28/55/45/365285545.db2.gz YUBOSZVTOMUJQI-JGVFFNPUSA-N 0 3 228.258 0.839 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1ccnc1 ZINC000575393913 365306048 /nfs/dbraw/zinc/30/60/48/365306048.db2.gz DZMKACVOOZIADB-JQWIXIFHSA-N 0 3 248.330 0.482 20 0 BCADHN Cc1nnc(NC(=O)[C@H](N)C(C)C)n1C ZINC000575399828 365308366 /nfs/dbraw/zinc/30/83/66/365308366.db2.gz ZDEWRNCDGPSSTH-SSDOTTSWSA-N 0 3 211.269 0.045 20 0 BCADHN CCC1(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000379860273 365315831 /nfs/dbraw/zinc/31/58/31/365315831.db2.gz LQLLEMHMOADAAF-SECBINFHSA-N 0 3 212.293 0.281 20 0 BCADHN Cc1cccc(CNC(=O)[C@@H](N)CC(F)F)n1 ZINC000379853242 365316709 /nfs/dbraw/zinc/31/67/09/365316709.db2.gz HNGNGWUJUNQONU-VIFPVBQESA-N 0 3 243.257 0.989 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCC[C@H](O)C2)C1 ZINC000575428051 365317845 /nfs/dbraw/zinc/31/78/45/365317845.db2.gz JDEUNNLIBWEJCY-MNOVXSKESA-N 0 3 226.320 0.312 20 0 BCADHN COC(=O)CCN1CCN(CCCF)[C@@H](C)C1 ZINC000182119840 366869120 /nfs/dbraw/zinc/86/91/20/366869120.db2.gz VXFXOZKRKWXLAH-NSHDSACASA-N 0 3 246.326 0.915 20 0 BCADHN CCCCN(CCCO)[C@@H](CC)C(N)=O ZINC000182148975 366869919 /nfs/dbraw/zinc/86/99/19/366869919.db2.gz YNJGDSRCEPUUTM-JTQLQIEISA-N 0 3 216.325 0.735 20 0 BCADHN CCC(=O)N1CCCN(CC[C@H](C)O)CC1 ZINC000575982957 365434949 /nfs/dbraw/zinc/43/49/49/365434949.db2.gz DYKFSKHSKLOTAE-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN CN(C[C@@H]1CCCOC1)[C@H]1CCN(C)C1=O ZINC000174146890 365474974 /nfs/dbraw/zinc/47/49/74/365474974.db2.gz WZMOBMKSMXNBFO-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@@H](C)N ZINC000576041918 365459288 /nfs/dbraw/zinc/45/92/88/365459288.db2.gz UAEJRMKEWWVYSA-PRJMDXOYSA-N 0 3 216.281 0.038 20 0 BCADHN Cc1nccn1CCCN(C)[C@H]1COC[C@H]1O ZINC000576203729 365519884 /nfs/dbraw/zinc/51/98/84/365519884.db2.gz GMMASIHDBFFYNA-NWDGAFQWSA-N 0 3 239.319 0.273 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000579589458 366894064 /nfs/dbraw/zinc/89/40/64/366894064.db2.gz FNEZOMSZVZFGHK-CHWFTXMASA-N 0 3 226.320 0.653 20 0 BCADHN COC(C)(C)CNC(=O)NC[C@@H]1CCCN1C ZINC000174351068 365482777 /nfs/dbraw/zinc/48/27/77/365482777.db2.gz YVFMHMWWUAMOLX-JTQLQIEISA-N 0 3 243.351 0.805 20 0 BCADHN CC(=O)c1ccc(CNC(=O)C(C)(C)N)nc1C ZINC000576105552 365487183 /nfs/dbraw/zinc/48/71/83/365487183.db2.gz BSKJNDBPKDROJI-UHFFFAOYSA-N 0 3 249.314 0.946 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)[C@H]2CCOC2)C1 ZINC000579611670 366907861 /nfs/dbraw/zinc/90/78/61/366907861.db2.gz WLZKTCQPJCONJF-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN CCN1CCN(c2cc(=O)n(C)cn2)[C@@H](C)C1 ZINC000579613063 366908617 /nfs/dbraw/zinc/90/86/17/366908617.db2.gz CRZOPCMZJVQLDN-JTQLQIEISA-N 0 3 236.319 0.311 20 0 BCADHN CC(C)[C@H](O)C(C)(C)CNC(=O)CNC1CC1 ZINC000182741027 366936934 /nfs/dbraw/zinc/93/69/34/366936934.db2.gz YQQDHZNWITUBRQ-LBPRGKRZSA-N 0 3 242.363 0.898 20 0 BCADHN CCC[C@H]1CN(C(=O)CNC2CC2)CCO1 ZINC000182850648 366949917 /nfs/dbraw/zinc/94/99/17/366949917.db2.gz GOFFLDSQINKHCF-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN CO[C@](C)(CO)CNCc1cccc(O)c1 ZINC000655810596 541482566 /nfs/dbraw/zinc/48/25/66/541482566.db2.gz MUFKDNUZASFTCN-LBPRGKRZSA-N 0 3 225.288 0.879 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000564837426 325814560 /nfs/dbraw/zinc/81/45/60/325814560.db2.gz RSJPIUADBAWFPG-GARJFASQSA-N 0 3 244.335 0.280 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000579700473 366983128 /nfs/dbraw/zinc/98/31/28/366983128.db2.gz HZNACGSUMNPVBM-JDDHQFAOSA-N 0 3 210.277 0.017 20 0 BCADHN COC(=O)CC[C@@H](N)C(=O)N[C@@H]1C=CCCC1 ZINC000579843713 367040545 /nfs/dbraw/zinc/04/05/45/367040545.db2.gz RZYZMKFRMRIWHV-NXEZZACHSA-N 0 3 240.303 0.492 20 0 BCADHN NC(=O)C1(NC[C@H](O)CCc2ccccc2)CC1 ZINC000183815353 367048306 /nfs/dbraw/zinc/04/83/06/367048306.db2.gz KOIMTDPBILTDEB-GFCCVEGCSA-N 0 3 248.326 0.588 20 0 BCADHN C[C@@H](C(=O)N1CC(CO)C1)N1CCCCCC1 ZINC000184211479 367069486 /nfs/dbraw/zinc/06/94/86/367069486.db2.gz BTFFHLPXAWXDAY-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN C[C@@H](C[S@](C)=O)N(C)CCCC(=O)N(C)C ZINC000579907660 367071948 /nfs/dbraw/zinc/07/19/48/367071948.db2.gz GPBKSDAJMVFUDP-QFYYESIMSA-N 0 3 248.392 0.554 20 0 BCADHN CC1(C)CN([C@@H]2CCCCNC2=O)C[C@H]1O ZINC000366743054 367073585 /nfs/dbraw/zinc/07/35/85/367073585.db2.gz JRFMBEXOHAHHIA-NXEZZACHSA-N 0 3 226.320 0.358 20 0 BCADHN CC[C@H]1[C@@H](C)CCN1CC(=O)N1CCOCC1 ZINC000185592733 367138282 /nfs/dbraw/zinc/13/82/82/367138282.db2.gz LOGBSMMSXKIWAM-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN COCCN1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000580030188 367142048 /nfs/dbraw/zinc/14/20/48/367142048.db2.gz INMAVHIWPNFIDT-LLVKDONJSA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@@H]1CN(C)CCN1CCC(=O)N(C)C ZINC000579950432 367098575 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ZINC000581199393 367293841 /nfs/dbraw/zinc/29/38/41/367293841.db2.gz HXMHFQBNKSFIET-KWQFWETISA-N 0 3 249.314 0.889 20 0 BCADHN [O-]c1cccnc1CN1C[C@@H](O)C2(CC2)C1 ZINC000581218252 367296800 /nfs/dbraw/zinc/29/68/00/367296800.db2.gz QFGVWWXPWQGKJO-LLVKDONJSA-N 0 3 220.272 0.744 20 0 BCADHN [O-]c1cccnc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000581218252 367296805 /nfs/dbraw/zinc/29/68/05/367296805.db2.gz QFGVWWXPWQGKJO-LLVKDONJSA-N 0 3 220.272 0.744 20 0 BCADHN [O-]c1cccnc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000581218252 367296813 /nfs/dbraw/zinc/29/68/13/367296813.db2.gz QFGVWWXPWQGKJO-LLVKDONJSA-N 0 3 220.272 0.744 20 0 BCADHN CC(=O)N1CC[C@@H](NC[C@H](O)C(F)(F)F)C1 ZINC000581246313 367307727 /nfs/dbraw/zinc/30/77/27/367307727.db2.gz PIDRHDVMCOLGBP-SFYZADRCSA-N 0 3 240.225 0.120 20 0 BCADHN O=C(Nc1ccncc1[O-])[C@@H]1C[C@]12CC[NH2+]C2 ZINC000581248903 367307977 /nfs/dbraw/zinc/30/79/77/367307977.db2.gz IXRFGNINXOFKIT-UFBFGSQYSA-N 0 3 233.271 0.147 20 0 BCADHN COc1cccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c1[O-] ZINC000381412158 367398399 /nfs/dbraw/zinc/39/83/99/367398399.db2.gz YDASSSYOBDAIBK-SFYZADRCSA-N 0 3 238.287 0.866 20 0 BCADHN COCCNCCNC(=O)/C=C\C1CC1 ZINC000381478337 367414514 /nfs/dbraw/zinc/41/45/14/367414514.db2.gz BDUIKMWIESAWJL-PLNGDYQASA-N 0 3 212.293 0.305 20 0 BCADHN O[C@@H]1CN(C[C@H]2CCCCC2(F)F)C[C@H]1O ZINC000381490126 367418030 /nfs/dbraw/zinc/41/80/30/367418030.db2.gz HEGAQAZVSUJZGG-OPRDCNLKSA-N 0 3 235.274 0.849 20 0 BCADHN O[C@@H]1CN(C[C@H]2CCCCC2(F)F)C[C@@H]1O ZINC000381490123 367418282 /nfs/dbraw/zinc/41/82/82/367418282.db2.gz HEGAQAZVSUJZGG-BBBLOLIVSA-N 0 3 235.274 0.849 20 0 BCADHN C[C@H]1COCC[C@@H]1CNCc1cnnn1C ZINC000381512305 367421859 /nfs/dbraw/zinc/42/18/59/367421859.db2.gz RLDZJSULTGCXIK-VHSXEESVSA-N 0 3 224.308 0.577 20 0 BCADHN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000381668694 367445844 /nfs/dbraw/zinc/44/58/44/367445844.db2.gz BONGBVKPEHXZQG-RNFRBKRXSA-N 0 3 247.295 0.235 20 0 BCADHN C[C@H]1OCC[C@H]1N[C@H]1CCN(C2CC2)C1=O ZINC000382193254 367496178 /nfs/dbraw/zinc/49/61/78/367496178.db2.gz CRBJLJJXJKJLCS-IEBDPFPHSA-N 0 3 224.304 0.517 20 0 BCADHN CCC1(C)CN(C[C@H](O)COCCOC)C1 ZINC000381795515 367458415 /nfs/dbraw/zinc/45/84/15/367458415.db2.gz CWMFVPCUDUAEBI-NSHDSACASA-N 0 3 231.336 0.742 20 0 BCADHN Cn1nncc1CN[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000381861488 367463642 /nfs/dbraw/zinc/46/36/42/367463642.db2.gz WGYBHVCBEWHLBQ-AXFHLTTASA-N 0 3 222.292 0.472 20 0 BCADHN COC[C@@](C)(O)CNCc1cccc(OC)n1 ZINC000382532685 367533139 /nfs/dbraw/zinc/53/31/39/367533139.db2.gz AVTNBHZYWFGJTN-LBPRGKRZSA-N 0 3 240.303 0.577 20 0 BCADHN COC[C@](C)(O)CN[C@@H](C)c1cn(C)nc1C ZINC000382566420 367541548 /nfs/dbraw/zinc/54/15/48/367541548.db2.gz OJCVRQNHKDZCNH-JOYOIKCWSA-N 0 3 241.335 0.777 20 0 BCADHN COC[C@](C)(O)CN[C@@H](C)c1nccnc1C ZINC000382581119 367543706 /nfs/dbraw/zinc/54/37/06/367543706.db2.gz VWIKYTAQPJDLKV-CMPLNLGQSA-N 0 3 239.319 0.833 20 0 BCADHN COC[C@](C)(O)CN[C@H](C)c1nccnc1C ZINC000382581126 367545078 /nfs/dbraw/zinc/54/50/78/367545078.db2.gz VWIKYTAQPJDLKV-ZYHUDNBSSA-N 0 3 239.319 0.833 20 0 BCADHN CC(C)N(C)C(=O)CN(C)[C@@H](C)C(C)(C)O ZINC000382806768 367559573 /nfs/dbraw/zinc/55/95/73/367559573.db2.gz NHTOORJJTYZCLH-JTQLQIEISA-N 0 3 230.352 0.944 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NC[C@@]1(C)CCCO1 ZINC000382915537 367567062 /nfs/dbraw/zinc/56/70/62/367567062.db2.gz AXEXUPZLBGVCII-BXKDBHETSA-N 0 3 226.320 0.812 20 0 BCADHN C[C@@H](N(C)CC(=O)N1CCCC1)C(C)(C)O ZINC000382819486 367560555 /nfs/dbraw/zinc/56/05/55/367560555.db2.gz WMWJJNJVMXDFCI-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H](O)CCN(C)C(=O)[C@H](C)NC1CC1 ZINC000382985963 367581721 /nfs/dbraw/zinc/58/17/21/367581721.db2.gz VYPWZVLQRSZRIX-IUCAKERBSA-N 0 3 214.309 0.356 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCCc1cnn(C)c1 ZINC000383020049 367587158 /nfs/dbraw/zinc/58/71/58/367587158.db2.gz DMTIRLLXPOTQLF-VIFPVBQESA-N 0 3 236.319 0.219 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000382957961 367573832 /nfs/dbraw/zinc/57/38/32/367573832.db2.gz NPBHWLANKDFPDF-ONGXEEELSA-N 0 3 226.320 0.764 20 0 BCADHN CC[C@H]1COCCN1C(=O)[C@@H](C)NC1CC1 ZINC000382963947 367574844 /nfs/dbraw/zinc/57/48/44/367574844.db2.gz PNFJXTZZZSYFKL-KOLCDFICSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@H](Cn1ccnc1)NC(=O)[C@H](C)NC1CC1 ZINC000383115254 367598277 /nfs/dbraw/zinc/59/82/77/367598277.db2.gz FVRGMXQXARNEOT-ZJUUUORDSA-N 0 3 236.319 0.528 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000383214298 367607076 /nfs/dbraw/zinc/60/70/76/367607076.db2.gz ZNZIULMRQNYTAW-IEBDPFPHSA-N 0 3 224.304 0.517 20 0 BCADHN Cc1cnccc1CNC(=O)[C@@H](N)CC(F)F ZINC000383350284 367615040 /nfs/dbraw/zinc/61/50/40/367615040.db2.gz OFKBLFLEBOLTSX-VIFPVBQESA-N 0 3 243.257 0.989 20 0 BCADHN CO[C@@H](CNC(=O)[C@H](C)NC1CC1)C(C)C ZINC000383359714 367616534 /nfs/dbraw/zinc/61/65/34/367616534.db2.gz NBHSVWVQKUZMRI-ONGXEEELSA-N 0 3 228.336 0.914 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)C2CSC2)C1 ZINC000630902298 367644290 /nfs/dbraw/zinc/64/42/90/367644290.db2.gz IQISZGQRASPXBL-JTQLQIEISA-N 0 3 228.361 0.902 20 0 BCADHN CN[C@@H](C)C(=O)Nc1cc(C(N)=O)ccc1C ZINC000565903023 325972837 /nfs/dbraw/zinc/97/28/37/325972837.db2.gz DBASWYUTWQVNJY-QMMMGPOBSA-N 0 3 235.287 0.640 20 0 BCADHN Cc1ncc(NC(=O)C2(N)CCCC2)cn1 ZINC000384151932 367672829 /nfs/dbraw/zinc/67/28/29/367672829.db2.gz HEJLURUJEKHXRZ-UHFFFAOYSA-N 0 3 220.276 0.995 20 0 BCADHN CSCCN[C@H]1CCCS(=O)(=O)C1 ZINC000068995846 370871138 /nfs/dbraw/zinc/87/11/38/370871138.db2.gz HRIHKBXPKQQKLL-QMMMGPOBSA-N 0 3 223.363 0.516 20 0 BCADHN CCc1nn(C)cc1NC(=O)[C@H]1CCN1 ZINC000384780864 367731631 /nfs/dbraw/zinc/73/16/31/367731631.db2.gz BLWSBKJQFZLLAI-MRVPVSSYSA-N 0 3 208.265 0.283 20 0 BCADHN CCOC[C@@H](O)CN1CCC(OCC)CC1 ZINC000068950406 370864620 /nfs/dbraw/zinc/86/46/20/370864620.db2.gz ZXBGRVAUHRDSMX-NSHDSACASA-N 0 3 231.336 0.885 20 0 BCADHN CC[C@@H](O)CC(=O)N(C)CC1CCN(C)CC1 ZINC000622355309 370864737 /nfs/dbraw/zinc/86/47/37/370864737.db2.gz YIXYIUPQDXRJNQ-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)C(=O)N(C)C ZINC000384927588 367758205 /nfs/dbraw/zinc/75/82/05/367758205.db2.gz RYXYXUDACQNHEL-KATARQTJSA-N 0 3 214.309 0.619 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000384971023 367767627 /nfs/dbraw/zinc/76/76/27/367767627.db2.gz YAYUBUFHIZXMCV-KXUCPTDWSA-N 0 3 214.309 0.620 20 0 BCADHN CCN(C)C(=O)CN[C@@H]1C[C@H](C)O[C@H]1C ZINC000384971025 367768221 /nfs/dbraw/zinc/76/82/21/367768221.db2.gz YAYUBUFHIZXMCV-LPEHRKFASA-N 0 3 214.309 0.620 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2CC(=O)N(C)C2)[C@@H](C)O1 ZINC000384666973 367714065 /nfs/dbraw/zinc/71/40/65/367714065.db2.gz XCOFGYDIQVILAA-IMSYWVGJSA-N 0 3 212.293 0.373 20 0 BCADHN Nc1nc(N)nc(N[C@H]2C[C@H]2C2CCCCC2)n1 ZINC000623995983 370884156 /nfs/dbraw/zinc/88/41/56/370884156.db2.gz OMJYHVOJJDPCEF-IUCAKERBSA-N 0 3 248.334 0.499 20 0 BCADHN CCC[C@](C)(N)C(=O)NCCSC ZINC000069013512 370873235 /nfs/dbraw/zinc/87/32/35/370873235.db2.gz 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/nfs/dbraw/zinc/31/16/17/370311617.db2.gz WLJIXOGISYJVGX-NXEZZACHSA-N 0 3 209.293 0.860 20 0 BCADHN C[C@H]1CCN(C[C@@H]2CCC(=O)N2)C[C@H]1CO ZINC000621373677 370312770 /nfs/dbraw/zinc/31/27/70/370312770.db2.gz MTVNOTUFZWPRDU-DCAQKATOSA-N 0 3 226.320 0.215 20 0 BCADHN CCOCCC(=O)N[C@@H]1CCCN(C)C1 ZINC000076965136 370370858 /nfs/dbraw/zinc/37/08/58/370370858.db2.gz AOCBJMNVZWHZKJ-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CN(C)CCNC(=O)NCC[C@@H]1CC1(F)F ZINC000621549480 370385643 /nfs/dbraw/zinc/38/56/43/370385643.db2.gz RRQBWBPPIGMLSL-MRVPVSSYSA-N 0 3 235.278 0.893 20 0 BCADHN CN1CCN(C(=O)CN[C@@H]2CCC2(C)C)CC1 ZINC000310257898 370328916 /nfs/dbraw/zinc/32/89/16/370328916.db2.gz FSOOLWZURCHWGK-LLVKDONJSA-N 0 3 239.363 0.539 20 0 BCADHN CCc1ncc(CN[C@@H]2CCN(C(C)=O)C2)cn1 ZINC000621388116 370330744 /nfs/dbraw/zinc/33/07/44/370330744.db2.gz MVPFPAJPNWDETH-GFCCVEGCSA-N 0 3 248.330 0.749 20 0 BCADHN CC[C@H](N)C(=O)NCC[C@@H]1CC1(F)F ZINC000621671145 370421778 /nfs/dbraw/zinc/42/17/78/370421778.db2.gz JJFDKSGOVFZQRV-RQJHMYQMSA-N 0 3 206.236 0.885 20 0 BCADHN CC[C@H](N)C(=O)NCC[C@H]1CC1(F)F ZINC000621671142 370422086 /nfs/dbraw/zinc/42/20/86/370422086.db2.gz JJFDKSGOVFZQRV-BQBZGAKWSA-N 0 3 206.236 0.885 20 0 BCADHN O=C(C[C@H]1CNCCO1)NCC[C@@H]1CC1(F)F ZINC000621671406 370423466 /nfs/dbraw/zinc/42/34/66/370423466.db2.gz RIEPKBGOYGFGKQ-BDAKNGLRSA-N 0 3 248.273 0.526 20 0 BCADHN Cc1cc(=O)n(C)cc1NC(=O)CNC(C)C ZINC000568286895 326341298 /nfs/dbraw/zinc/34/12/98/326341298.db2.gz JHXFUPKVNZAYMJ-UHFFFAOYSA-N 0 3 237.303 0.630 20 0 BCADHN Cc1nccnc1CN1C[C@H](C(N)=O)CC[C@H]1C ZINC000621711784 370456967 /nfs/dbraw/zinc/45/69/67/370456967.db2.gz HIIUBYWBHQTJHG-MWLCHTKSSA-N 0 3 248.330 0.871 20 0 BCADHN CNC(=O)[C@@H]1CCCN(Cc2nccnc2C)C1 ZINC000621716730 370464657 /nfs/dbraw/zinc/46/46/57/370464657.db2.gz KQKOSVGLEPKKDU-LLVKDONJSA-N 0 3 248.330 0.743 20 0 BCADHN CNC(=O)[C@H]1CCCN(Cc2nccnc2C)C1 ZINC000621716731 370464934 /nfs/dbraw/zinc/46/49/34/370464934.db2.gz KQKOSVGLEPKKDU-NSHDSACASA-N 0 3 248.330 0.743 20 0 BCADHN Cc1nc(C)c(C(=O)N[C@H]2CCN(C3CC3)C2)[nH]1 ZINC000621723587 370475485 /nfs/dbraw/zinc/47/54/85/370475485.db2.gz LLKUOGFORFWXOK-JTQLQIEISA-N 0 3 248.330 0.993 20 0 BCADHN CC(=O)N1CC[C@@H](N[C@H](C)c2cn[nH]c2)C1 ZINC000621773313 370517526 /nfs/dbraw/zinc/51/75/26/370517526.db2.gz LWWAPTNVNSKHMD-LDYMZIIASA-N 0 3 222.292 0.681 20 0 BCADHN CCn1cncc1CN1CC[C@H](CC(N)=O)C1 ZINC000621728240 370480030 /nfs/dbraw/zinc/48/00/30/370480030.db2.gz HQWSFHJFAJMTFZ-SNVBAGLBSA-N 0 3 236.319 0.600 20 0 BCADHN CNC(=O)CCCN1CCSC[C@@H]1CCO ZINC000568409086 326355339 /nfs/dbraw/zinc/35/53/39/326355339.db2.gz YPWXLVMCNRFDFV-JTQLQIEISA-N 0 3 246.376 0.312 20 0 BCADHN C[C@@H]1C[C@H](C)N1CCN1C(=O)N[C@H](C)C1=O ZINC000568482754 326358925 /nfs/dbraw/zinc/35/89/25/326358925.db2.gz MOWGVNVYCJOHOQ-HRDYMLBCSA-N 0 3 225.292 0.409 20 0 BCADHN Cc1nc(C)c(C(=O)N(C)CCN(C)C)[nH]1 ZINC000621898220 370587841 /nfs/dbraw/zinc/58/78/41/370587841.db2.gz POGDVLDSYRERHE-UHFFFAOYSA-N 0 3 224.308 0.660 20 0 BCADHN C[C@H](C(=O)NCCN(C)C1CC1)n1cncn1 ZINC000066924235 370618724 /nfs/dbraw/zinc/61/87/24/370618724.db2.gz HNTLDNXDYXAJCI-SECBINFHSA-N 0 3 237.307 0.050 20 0 BCADHN CN(C)CC[C@](C)(O)CNC(=O)CCCF ZINC000621959851 370621205 /nfs/dbraw/zinc/62/12/05/370621205.db2.gz GSSYWWZVQRJQLC-NSHDSACASA-N 0 3 234.315 0.555 20 0 BCADHN COC[C@@H](OC)C(=O)N(CCN(C)C)C1CC1 ZINC000621958065 370621862 /nfs/dbraw/zinc/62/18/62/370621862.db2.gz RRHKTHGTHNPFKR-LLVKDONJSA-N 0 3 244.335 0.200 20 0 BCADHN CC[C@H](C(=O)NC1(CCO)CC1)N(C)C ZINC000622615970 371017763 /nfs/dbraw/zinc/01/77/63/371017763.db2.gz IWDCRBJTFXBYSK-SECBINFHSA-N 0 3 214.309 0.358 20 0 BCADHN CCN(CC)CC(=O)NC[C@]1(C)CCC(=O)N1 ZINC000622679507 371056252 /nfs/dbraw/zinc/05/62/52/371056252.db2.gz ZAGUNFQIVCJWFJ-LBPRGKRZSA-N 0 3 241.335 0.113 20 0 BCADHN CC[C@@H](C(=O)NC[C@]1(C)CCC(=O)N1)N(C)C ZINC000622680142 371057162 /nfs/dbraw/zinc/05/71/62/371057162.db2.gz SJSKCHICQUMBEE-CABZTGNLSA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H]2CCS(=O)(=O)[C@@H]2C)CO1 ZINC000623720537 371068222 /nfs/dbraw/zinc/06/82/22/371068222.db2.gz MZZSPYAKKXEXEN-GWOFURMSSA-N 0 3 247.360 0.719 20 0 BCADHN CCCNC(=O)CCNCc1ccc(=O)[nH]c1 ZINC000631048823 371090115 /nfs/dbraw/zinc/09/01/15/371090115.db2.gz MALKDLYNOXJKRH-UHFFFAOYSA-N 0 3 237.303 0.793 20 0 BCADHN CN(C)c1ncc(CNC[C@@H]2CCCN2C)cn1 ZINC000623785778 371090164 /nfs/dbraw/zinc/09/01/64/371090164.db2.gz JQAPDXXQNKPFNH-LBPRGKRZSA-N 0 3 249.362 0.726 20 0 BCADHN COc1ncncc1CNC[C@@H]1CCCN1C ZINC000623786547 371092366 /nfs/dbraw/zinc/09/23/66/371092366.db2.gz XMDVBRSRYBRBMB-NSHDSACASA-N 0 3 236.319 0.669 20 0 BCADHN O=c1ccc(CNCCn2cccn2)c[nH]1 ZINC000631049534 371092653 /nfs/dbraw/zinc/09/26/53/371092653.db2.gz ZXXKKYSKLLPURA-UHFFFAOYSA-N 0 3 218.260 0.774 20 0 BCADHN CNC(=O)CCNCc1cccc(NC(C)=O)c1 ZINC000631051489 371115016 /nfs/dbraw/zinc/11/50/16/371115016.db2.gz HNXPZWFNEATPEW-UHFFFAOYSA-N 0 3 249.314 0.871 20 0 BCADHN CCn1nncc1CNCCN(C)CC(F)F ZINC000623832215 371117281 /nfs/dbraw/zinc/11/72/81/371117281.db2.gz REIJOEWJJVXHEG-UHFFFAOYSA-N 0 3 247.293 0.585 20 0 BCADHN CN(CC1CCCCC1)c1nc(N)nc(N)n1 ZINC000623833952 371118055 /nfs/dbraw/zinc/11/80/55/371118055.db2.gz DUVQKKIOAHFNER-UHFFFAOYSA-N 0 3 236.323 0.713 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@@H]1C[C@H]1C ZINC000154455668 371118399 /nfs/dbraw/zinc/11/83/99/371118399.db2.gz XWZNZQKXKXFXMX-BWZBUEFSSA-N 0 3 202.323 0.591 20 0 BCADHN O[C@H]1CCN(CCNCC2(F)CC2)C1 ZINC000623837674 371121452 /nfs/dbraw/zinc/12/14/52/371121452.db2.gz OTNVARPRLWKCFD-VIFPVBQESA-N 0 3 202.273 0.145 20 0 BCADHN O=C1[C@@H](N[C@H]2CCOC2)CCN1C1CCC1 ZINC000623841255 371122651 /nfs/dbraw/zinc/12/26/51/371122651.db2.gz SIAVYCOFJWCGTE-ONGXEEELSA-N 0 3 224.304 0.518 20 0 BCADHN COC[C@@H](C)N[C@H]1CCN(C2CCC2)C1=O ZINC000623842572 371124355 /nfs/dbraw/zinc/12/43/55/371124355.db2.gz PXRGXPWHHPSHMB-KOLCDFICSA-N 0 3 226.320 0.764 20 0 BCADHN CN(CC(C)(C)C)c1nc(N)nc(N)n1 ZINC000623930833 371158237 /nfs/dbraw/zinc/15/82/37/371158237.db2.gz AQHILXQDPMESNW-UHFFFAOYSA-N 0 3 210.285 0.179 20 0 BCADHN CC(C)C[C@H]1CCCN1c1nc(N)nc(N)n1 ZINC000623912724 371150964 /nfs/dbraw/zinc/15/09/64/371150964.db2.gz RREDTJKISLHGHA-MRVPVSSYSA-N 0 3 236.323 0.712 20 0 BCADHN N[C@@H](CC(F)F)C(=O)NC[C@@H]1CCCO1 ZINC000336706163 181540983 /nfs/dbraw/zinc/54/09/83/181540983.db2.gz RIZZGSJIKOFORI-BQBZGAKWSA-N 0 3 222.235 0.264 20 0 BCADHN CS[C@H](C)CNC(=O)[C@@H]1NCC1(C)C ZINC000389854122 371177910 /nfs/dbraw/zinc/17/79/10/371177910.db2.gz ACOIJAXFINDLTP-SFYZADRCSA-N 0 3 216.350 0.852 20 0 BCADHN O=C(Cc1cc[nH]n1)N[C@H]1CCN(CC2CC2)C1 ZINC000124287661 371180930 /nfs/dbraw/zinc/18/09/30/371180930.db2.gz TYENCAUQZUQXCZ-LBPRGKRZSA-N 0 3 248.330 0.553 20 0 BCADHN CC[C@H](N[C@H]1CCC[C@H]1C(=O)OC)C(N)=O ZINC000390481859 371206248 /nfs/dbraw/zinc/20/62/48/371206248.db2.gz NEJBOFYAZLQYPV-VGMNWLOBSA-N 0 3 228.292 0.182 20 0 BCADHN C[C@H]1CC(Nc2nc(N)nc(N)n2)C[C@H](C)C1 ZINC000623987519 371220716 /nfs/dbraw/zinc/22/07/16/371220716.db2.gz BXBJVMGKRHYZGZ-RNFRBKRXSA-N 0 3 236.323 0.355 20 0 BCADHN Nc1nc(N)nc(N2CCC3(C2)CCCCC3)n1 ZINC000623997913 371231101 /nfs/dbraw/zinc/23/11/01/371231101.db2.gz BOWNCRDCHKLLSP-UHFFFAOYSA-N 0 3 248.334 0.857 20 0 BCADHN Nc1nc(N)nc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)n1 ZINC000624000094 371231643 /nfs/dbraw/zinc/23/16/43/371231643.db2.gz NRHQDBLHQMZOCR-HRDYMLBCSA-N 0 3 248.334 0.499 20 0 BCADHN Nc1nc(N)nc(N2CCC3(CCC3)C2)n1 ZINC000624033474 371261030 /nfs/dbraw/zinc/26/10/30/371261030.db2.gz HFJRBMDWSBALCO-UHFFFAOYSA-N 0 3 220.280 0.077 20 0 BCADHN CC[C@@H]1C[C@@H](C)CN1c1nc(N)nc(N)n1 ZINC000624011768 371249197 /nfs/dbraw/zinc/24/91/97/371249197.db2.gz IQIXUIIKFORELT-RNFRBKRXSA-N 0 3 222.296 0.322 20 0 BCADHN COCC[C@@H](C)N[C@H](CO)c1ccnn1C ZINC000624018246 371253311 /nfs/dbraw/zinc/25/33/11/371253311.db2.gz OTJUFYOIRAFACH-NXEZZACHSA-N 0 3 227.308 0.468 20 0 BCADHN C[C@@H]1CCN(c2nc(N)nc(N)n2)C[C@H]1C ZINC000624076365 371293897 /nfs/dbraw/zinc/29/38/97/371293897.db2.gz UCPUJMSKYDSEHY-RNFRBKRXSA-N 0 3 222.296 0.179 20 0 BCADHN C[C@@H]1CCN(c2nc(N)nc(N)n2)CC12CCC2 ZINC000624080171 371296064 /nfs/dbraw/zinc/29/60/64/371296064.db2.gz HUYSJHXTRAQURP-MRVPVSSYSA-N 0 3 248.334 0.713 20 0 BCADHN CCC1(CNc2nc(N)nc(N)n2)CCCC1 ZINC000624036378 371264104 /nfs/dbraw/zinc/26/41/04/371264104.db2.gz JHHYHXJUNJEWSF-UHFFFAOYSA-N 0 3 236.323 0.501 20 0 BCADHN CC[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1cnn(C)c1 ZINC000624130508 371331083 /nfs/dbraw/zinc/33/10/83/371331083.db2.gz PQTASBBPGUINKN-FBIMIBRVSA-N 0 3 236.319 0.725 20 0 BCADHN C[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1ccccn1 ZINC000624131064 371331585 /nfs/dbraw/zinc/33/15/85/371331585.db2.gz FNKCYHJOVBPKIU-GUBZILKMSA-N 0 3 219.288 0.996 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)N[C@H]1C[C@H](C(N)=O)C1 ZINC000624130736 371331766 /nfs/dbraw/zinc/33/17/66/371331766.db2.gz YDMFPGWYDYDDEP-SZEHBUNVSA-N 0 3 236.319 0.643 20 0 BCADHN Cc1nn(C)cc1[C@H](C)N[C@H]1C[C@H](C(N)=O)C1 ZINC000624130735 371331822 /nfs/dbraw/zinc/33/18/22/371331822.db2.gz YDMFPGWYDYDDEP-HGNGGELXSA-N 0 3 236.319 0.643 20 0 BCADHN C[C@H](NC[C@H]1COCCN1C)c1cnn(C)c1 ZINC000624174044 371364998 /nfs/dbraw/zinc/36/49/98/371364998.db2.gz QCKDEWRGOSVARK-JQWIXIFHSA-N 0 3 238.335 0.401 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@@H]1COCCN1C ZINC000624174407 371365267 /nfs/dbraw/zinc/36/52/67/371365267.db2.gz WUHXTJIOSJSIGR-GXSJLCMTSA-N 0 3 238.335 0.699 20 0 BCADHN C[C@@H](NC[C@@H]1COCCN1C)c1cnn(C)c1 ZINC000624174046 371365402 /nfs/dbraw/zinc/36/54/02/371365402.db2.gz QCKDEWRGOSVARK-ZYHUDNBSSA-N 0 3 238.335 0.401 20 0 BCADHN CN1C[C@@H](NCc2ccc(=O)[nH]c2)CCC1=O ZINC000631077087 371394753 /nfs/dbraw/zinc/39/47/53/371394753.db2.gz RHFALKOJMSFNQW-JTQLQIEISA-N 0 3 235.287 0.498 20 0 BCADHN O[C@H](CNCc1cn[nH]c1)COc1ccccc1 ZINC000624213327 371399471 /nfs/dbraw/zinc/39/94/71/371399471.db2.gz WLEDZFXXGOWTTD-GFCCVEGCSA-N 0 3 247.298 0.939 20 0 BCADHN C[C@@H](NC[C@H]1C[C@@H](O)C1)c1ccnn1C ZINC000624216914 371405471 /nfs/dbraw/zinc/40/54/71/371405471.db2.gz VCVSYGTTZGSVFN-BBBLOLIVSA-N 0 3 209.293 0.842 20 0 BCADHN C[C@H](NCCN1CC[C@@H](O)C1)c1ccoc1 ZINC000624228672 371416976 /nfs/dbraw/zinc/41/69/76/371416976.db2.gz YXKAFTQSVZNOOZ-CMPLNLGQSA-N 0 3 224.304 0.997 20 0 BCADHN CC1(C)C(CNc2nc(N)nc(N)n2)C1(C)C ZINC000624178465 371370955 /nfs/dbraw/zinc/37/09/55/371370955.db2.gz KYEKXIWWEXGEGK-UHFFFAOYSA-N 0 3 236.323 0.213 20 0 BCADHN CC1=C[C@H](C)CN(c2nc(N)nc(N)n2)C1 ZINC000624179703 371372087 /nfs/dbraw/zinc/37/20/87/371372087.db2.gz HHOLJTFRJLEZEL-LURJTMIESA-N 0 3 220.280 0.099 20 0 BCADHN CCCC[C@@](C)(CO)Nc1nc(N)nc(N)n1 ZINC000624329786 371483888 /nfs/dbraw/zinc/48/38/88/371483888.db2.gz HKFAENXXELVCRL-JTQLQIEISA-N 0 3 240.311 0.050 20 0 BCADHN C[C@H](N[C@@H]1CCOC[C@H]1O)c1ccncc1 ZINC000624237405 371425174 /nfs/dbraw/zinc/42/51/74/371425174.db2.gz WRNFSKMLYTVGMO-MVWJERBFSA-N 0 3 222.288 0.882 20 0 BCADHN CC(C)(C)C(C)(C)CNc1nc(N)nc(N)n1 ZINC000624243501 371429900 /nfs/dbraw/zinc/42/99/00/371429900.db2.gz TYNOPKGTOGUDBF-UHFFFAOYSA-N 0 3 238.339 0.603 20 0 BCADHN COC(=O)c1cc(CN[C@@H]2CCOC2)c[nH]1 ZINC000125873559 371432090 /nfs/dbraw/zinc/43/20/90/371432090.db2.gz IAMWSDVKGODETO-SECBINFHSA-N 0 3 224.260 0.680 20 0 BCADHN CC1(C)C[C@]1(C)Nc1nc(N)nc(N)n1 ZINC000624408099 371501681 /nfs/dbraw/zinc/50/16/81/371501681.db2.gz DFZZPLAZNYMQCU-VIFPVBQESA-N 0 3 208.269 0.297 20 0 BCADHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cscn1 ZINC000624414172 371503488 /nfs/dbraw/zinc/50/34/88/371503488.db2.gz AJHOTRYOVAPNEH-NKWVEPMBSA-N 0 3 247.345 0.172 20 0 BCADHN CCN(CC)CC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000131097811 371556913 /nfs/dbraw/zinc/55/69/13/371556913.db2.gz NOTZDRPCCDBFTC-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN COC(=O)[C@H](C)CN(C)CCc1cnccn1 ZINC000285116071 371545458 /nfs/dbraw/zinc/54/54/58/371545458.db2.gz RPPYATNQURTVGE-SNVBAGLBSA-N 0 3 237.303 0.760 20 0 BCADHN Nc1nc(N)nc(N[C@]23C[C@H]2CCC3)n1 ZINC000624385591 371496918 /nfs/dbraw/zinc/49/69/18/371496918.db2.gz IAIFIWBVPJAWMM-MLUIRONXSA-N 0 3 206.253 0.051 20 0 BCADHN Nc1nc(N)nc(N[C@@H]2CCc3ccccc32)n1 ZINC000624397862 371499175 /nfs/dbraw/zinc/49/91/75/371499175.db2.gz MMSPSDFCSGANAB-SECBINFHSA-N 0 3 242.286 0.218 20 0 BCADHN CN1CCCC[C@@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000627367933 371585562 /nfs/dbraw/zinc/58/55/62/371585562.db2.gz HTTJBOXBIKCYIH-GFCCVEGCSA-N 0 3 248.330 0.779 20 0 BCADHN COC1CC(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000627632475 371794360 /nfs/dbraw/zinc/79/43/60/371794360.db2.gz ITFNGMGJSJPZLK-WNYYMSAVSA-N 0 3 238.331 0.574 20 0 BCADHN CNC(=O)[C@H]1CCCN1CCN1CCCCC1 ZINC000132245861 371775897 /nfs/dbraw/zinc/77/58/97/371775897.db2.gz IZJAKIXGDKRWKU-GFCCVEGCSA-N 0 3 239.363 0.683 20 0 BCADHN CCN(C(=O)[C@H](O)C(C)C)C1CCN(C)CC1 ZINC000627615535 371780808 /nfs/dbraw/zinc/78/08/08/371780808.db2.gz CXHZYGDQUGHCIJ-GFCCVEGCSA-N 0 3 242.363 0.946 20 0 BCADHN CCN(C(=O)CC(=O)NC)C1CCN(C)CC1 ZINC000627616818 371783128 /nfs/dbraw/zinc/78/31/28/371783128.db2.gz GIPGCJHZBVNQAQ-UHFFFAOYSA-N 0 3 241.335 0.065 20 0 BCADHN CCN(C(=O)[C@@H](O)C(C)C)C1CCN(C)CC1 ZINC000627615536 371784015 /nfs/dbraw/zinc/78/40/15/371784015.db2.gz CXHZYGDQUGHCIJ-LBPRGKRZSA-N 0 3 242.363 0.946 20 0 BCADHN CCN(C(=O)[C@@H](C)OC)C1CCN(C)CC1 ZINC000627619888 371785177 /nfs/dbraw/zinc/78/51/77/371785177.db2.gz YFQJTHAQLKGKTC-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN CCN(C(=O)c1c[nH]cn1)C1CCN(C)CC1 ZINC000627618950 371785549 /nfs/dbraw/zinc/78/55/49/371785549.db2.gz NIOFRRHWNQHQTO-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN C[C@H](O)CN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000132351961 371796314 /nfs/dbraw/zinc/79/63/14/371796314.db2.gz MNAHAOVIPGVAON-IVZWLZJFSA-N 0 3 235.349 0.313 20 0 BCADHN C[C@H](C1CC1)N(CC(=O)NC(N)=O)C1CC1 ZINC000029725020 371805430 /nfs/dbraw/zinc/80/54/30/371805430.db2.gz DHPUIHBLMIQBKV-SSDOTTSWSA-N 0 3 225.292 0.444 20 0 BCADHN CC(C)n1cncc1CN[C@H](C)CC(N)=O ZINC000220429497 134305528 /nfs/dbraw/zinc/30/55/28/134305528.db2.gz QBFHJZWNXCXSLN-SECBINFHSA-N 0 3 224.308 0.818 20 0 BCADHN CSCCCC(=O)N1CCN(C)C[C@@H]1CN ZINC000162689063 371819038 /nfs/dbraw/zinc/81/90/38/371819038.db2.gz JXVOCJXLPIADLR-JTQLQIEISA-N 0 3 245.392 0.231 20 0 BCADHN CNc1cnc(C(=O)NC[C@H]2CCN(C)C2)cn1 ZINC000230096827 371847384 /nfs/dbraw/zinc/84/73/84/371847384.db2.gz FXZNPDSDKWLPGB-SECBINFHSA-N 0 3 249.318 0.200 20 0 BCADHN CCN1CC[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC000627764136 371953347 /nfs/dbraw/zinc/95/33/47/371953347.db2.gz TVXKVIICFGGZDY-HSOILSAZSA-N 0 3 226.320 0.622 20 0 BCADHN CCOC(=O)C[C@H](O)CN1CC[C@@H](O)[C@@H](C)C1 ZINC000229393426 372149631 /nfs/dbraw/zinc/14/96/31/372149631.db2.gz PQDHUEMPBDLCFL-GARJFASQSA-N 0 3 245.319 0.003 20 0 BCADHN CC[C@H](O)CN1CCCC2(C1)OCCO2 ZINC000134099045 372159654 /nfs/dbraw/zinc/15/96/54/372159654.db2.gz XJVDPSJDVIHAJP-JTQLQIEISA-N 0 3 215.293 0.596 20 0 BCADHN CO[C@@H]1COC[C@H]1NCc1ccc(=O)[nH]c1 ZINC000631166402 372215708 /nfs/dbraw/zinc/21/57/08/372215708.db2.gz YWAAUIPWOIZMAD-NXEZZACHSA-N 0 3 224.260 0.291 20 0 BCADHN COc1cncc(CNC[C@@H]2CCC(=O)N2)c1C ZINC000631176227 372217614 /nfs/dbraw/zinc/21/76/14/372217614.db2.gz MUDCTHZKHSLWAK-NSHDSACASA-N 0 3 249.314 0.767 20 0 BCADHN Cn1nc2c(c1CN[C@H]1C[C@H](O)C1)CCCC2 ZINC000631177443 372220177 /nfs/dbraw/zinc/22/01/77/372220177.db2.gz AVEHMCPAWAMWDS-MGCOHNPYSA-N 0 3 235.331 0.912 20 0 BCADHN NC(=O)c1csc(CN[C@H]2C[C@@H](CO)C2)c1 ZINC000631198383 372229659 /nfs/dbraw/zinc/22/96/59/372229659.db2.gz IJPXXIHYYQXRTE-OTSSQURYSA-N 0 3 240.328 0.708 20 0 BCADHN Cn1nccc1CNCC[C@H](O)C(F)F ZINC000631217011 372238598 /nfs/dbraw/zinc/23/85/98/372238598.db2.gz QCSVCDCMXXOEPX-QMMMGPOBSA-N 0 3 219.235 0.526 20 0 BCADHN COC[C@H](C)N[C@@H](C)[C@@H](O)C(F)(F)F ZINC000631235212 372253849 /nfs/dbraw/zinc/25/38/49/372253849.db2.gz IBJWVNKBONUOQX-LYFYHCNISA-N 0 3 215.215 0.923 20 0 BCADHN CC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCCN1C ZINC000631285361 372278641 /nfs/dbraw/zinc/27/86/41/372278641.db2.gz OQUDIEPCQMIURP-QWRGUYRKSA-N 0 3 241.335 0.112 20 0 BCADHN Cc1noc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)n1 ZINC000631368960 372318487 /nfs/dbraw/zinc/31/84/87/372318487.db2.gz DFPYHTPULUFEAD-CBAPKCEASA-N 0 3 238.291 0.591 20 0 BCADHN CCCN(CCCCCO)CC(=O)NC ZINC000171145402 372371630 /nfs/dbraw/zinc/37/16/30/372371630.db2.gz VWALYJCUANVQMB-UHFFFAOYSA-N 0 3 216.325 0.607 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2CSC2)CCN1C ZINC000631488233 372392148 /nfs/dbraw/zinc/39/21/48/372392148.db2.gz REQBRZWUBBYHEI-PSASIEDQSA-N 0 3 228.361 0.948 20 0 BCADHN C[C@@H]1C[C@H](C(=O)N(C)CCN(C)C)[C@H](C)O1 ZINC000631601846 372428082 /nfs/dbraw/zinc/42/80/82/372428082.db2.gz YUMYKLBSEXUTTM-VWYCJHECSA-N 0 3 228.336 0.820 20 0 BCADHN C[C@H](NC1CN(c2ccncn2)C1)[C@H]1CCCO1 ZINC000631747473 372548096 /nfs/dbraw/zinc/54/80/96/372548096.db2.gz IRXOGMBTKWNAFP-CMPLNLGQSA-N 0 3 248.330 0.822 20 0 BCADHN C[C@H](Cn1cccn1)N[C@@H]1COCC[C@H]1O ZINC000631751458 372552648 /nfs/dbraw/zinc/55/26/48/372552648.db2.gz ZLUVQIXZDAWAOZ-GMTAPVOTSA-N 0 3 225.292 0.011 20 0 BCADHN C[C@H](N[C@@H]1COCC[C@H]1O)c1cccnc1 ZINC000631751387 372552801 /nfs/dbraw/zinc/55/28/01/372552801.db2.gz YEIHRPWTLFZVBQ-MVWJERBFSA-N 0 3 222.288 0.882 20 0 BCADHN C[C@H](CN1CCCCC1)NC(=O)CN(C)C ZINC000171374432 372563275 /nfs/dbraw/zinc/56/32/75/372563275.db2.gz PUKSOFCTHXSMLA-LLVKDONJSA-N 0 3 227.352 0.539 20 0 BCADHN CN(C)CCCS(=O)(=O)N(C)CC1CC1 ZINC000631772180 372568142 /nfs/dbraw/zinc/56/81/42/372568142.db2.gz YNLRLEGLWXHQSL-UHFFFAOYSA-N 0 3 234.365 0.610 20 0 BCADHN Cc1nccnc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000631830633 372614260 /nfs/dbraw/zinc/61/42/60/372614260.db2.gz XPXYWEPMIMKUBY-NXEZZACHSA-N 0 3 224.283 0.656 20 0 BCADHN Cc1cc(S(=O)(=O)[N-]C[C@H](C)[NH3+])sn1 ZINC000631932576 372697085 /nfs/dbraw/zinc/69/70/85/372697085.db2.gz QCDWSEHXEWUTKG-YFKPBYRVSA-N 0 3 235.334 0.077 20 0 BCADHN CCC[NH2+]CC[N-]S(=O)(=O)c1conc1C ZINC000631933847 372698189 /nfs/dbraw/zinc/69/81/89/372698189.db2.gz VHXXLBNSVZPAKH-UHFFFAOYSA-N 0 3 247.320 0.261 20 0 BCADHN CC(C)C1(S(=O)(=O)N[C@H]2CCCNC2)CC1 ZINC000631901051 372688085 /nfs/dbraw/zinc/68/80/85/372688085.db2.gz POTOXVCRGJOYFW-JTQLQIEISA-N 0 3 246.376 0.846 20 0 BCADHN CCCN(CC(=O)NC(=O)NC1CC1)C1CC1 ZINC000171681717 372732592 /nfs/dbraw/zinc/73/25/92/372732592.db2.gz LXMKGPGILJJLKP-UHFFFAOYSA-N 0 3 239.319 0.849 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc(N)cn2)[C@H](C)CN1 ZINC000521870995 259555687 /nfs/dbraw/zinc/55/56/87/259555687.db2.gz RXYJWRSIZODRLH-RKDXNWHRSA-N 0 3 234.303 0.486 20 0 BCADHN C[C@@H]1CCN(S(=O)(=O)CCCN(C)C)[C@@H]1C ZINC000632065836 372745117 /nfs/dbraw/zinc/74/51/17/372745117.db2.gz LFWCYBMETIGZEI-GHMZBOCLSA-N 0 3 248.392 0.998 20 0 BCADHN CC[C@@](C)(CO)C(=O)NCCOCCN(C)C ZINC000521896568 259557262 /nfs/dbraw/zinc/55/72/62/259557262.db2.gz RLIMELQNLCCHNK-LBPRGKRZSA-N 0 3 246.351 0.089 20 0 BCADHN CC/C=C/CNS(=O)(=O)CCCN(C)C ZINC000632405799 372923666 /nfs/dbraw/zinc/92/36/66/372923666.db2.gz ANHLGUOLCXXNEW-AATRIKPKSA-N 0 3 234.365 0.824 20 0 BCADHN CN(C)CCCS(=O)(=O)N1CC[C@H](F)C1 ZINC000632407601 372923733 /nfs/dbraw/zinc/92/37/33/372923733.db2.gz YDNARVKSBQUJDG-VIFPVBQESA-N 0 3 238.328 0.312 20 0 BCADHN O=C(C[C@@H]1CNCCO1)Nc1ccncc1 ZINC000085618929 182021683 /nfs/dbraw/zinc/02/16/83/182021683.db2.gz RJILFNCTMZQXRR-SNVBAGLBSA-N 0 3 221.260 0.399 20 0 BCADHN CC/C=C\CNS(=O)(=O)CCCN(C)C ZINC000632405800 372922447 /nfs/dbraw/zinc/92/24/47/372922447.db2.gz ANHLGUOLCXXNEW-WAYWQWQTSA-N 0 3 234.365 0.824 20 0 BCADHN CN(C)CCCS(=O)(=O)NC1CCC1 ZINC000632431503 372939335 /nfs/dbraw/zinc/93/93/35/372939335.db2.gz IEBARLWCAOGSPA-UHFFFAOYSA-N 0 3 220.338 0.410 20 0 BCADHN O=C(C[C@H]1CNCCO1)N1CCC2(CCC2)C1 ZINC000336286805 182031409 /nfs/dbraw/zinc/03/14/09/182031409.db2.gz VFPBEMSSIRTZNE-NSHDSACASA-N 0 3 238.331 0.768 20 0 BCADHN O=C(C[C@H]1CNCCO1)NCc1ccncc1 ZINC000091299269 182031452 /nfs/dbraw/zinc/03/14/52/182031452.db2.gz RMEIDXUYKPLTFP-NSHDSACASA-N 0 3 235.287 0.076 20 0 BCADHN CCN(CCO)CCNC(=O)c1conc1C ZINC000632513119 372981963 /nfs/dbraw/zinc/98/19/63/372981963.db2.gz OCNXWBYUSHHODZ-UHFFFAOYSA-N 0 3 241.291 0.027 20 0 BCADHN CCNS(=O)(=O)NC[C@H](C)CN1CCCC1 ZINC000172448229 372977290 /nfs/dbraw/zinc/97/72/90/372977290.db2.gz LMCFKLTXIVITJD-JTQLQIEISA-N 0 3 249.380 0.162 20 0 BCADHN COCCN1CCC(NC(=O)[C@H]2C[C@@H]2C)CC1 ZINC000141635395 372999706 /nfs/dbraw/zinc/99/97/06/372999706.db2.gz KQIXBBJLLRXIQQ-JQWIXIFHSA-N 0 3 240.347 0.869 20 0 BCADHN CN(C)CCCS(=O)(=O)NCC1=CCCC1 ZINC000632568606 373008887 /nfs/dbraw/zinc/00/88/87/373008887.db2.gz KUHTWCPMUFMHJT-UHFFFAOYSA-N 0 3 246.376 0.968 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1ncccc1N ZINC000632520946 372988155 /nfs/dbraw/zinc/98/81/55/372988155.db2.gz LYHFEWOEJDBQJJ-UHFFFAOYSA-N 0 3 248.330 0.830 20 0 BCADHN O=C(Cc1ccncc1)N[C@H]1CCN(C2CC2)C1 ZINC000355165417 182055191 /nfs/dbraw/zinc/05/51/91/182055191.db2.gz RCCOSQXKVSDSBC-LBPRGKRZSA-N 0 3 245.326 0.977 20 0 BCADHN O=C(Cc1ccncc1)N1CCCNCC1 ZINC000022215126 182054301 /nfs/dbraw/zinc/05/43/01/182054301.db2.gz PFQCJBVQDISOFS-UHFFFAOYSA-N 0 3 219.288 0.446 20 0 BCADHN CC(C(=O)N(C)C1CCC1)S(C)(=O)=O ZINC000172702410 373053371 /nfs/dbraw/zinc/05/33/71/373053371.db2.gz WSNRYVZRVRGEGP-ZETCQYMHSA-N 0 3 219.306 0.430 20 0 BCADHN C[C@@H]1CCCN(CC(=O)N2CCOCC2)[C@@H]1C ZINC000172858837 373096557 /nfs/dbraw/zinc/09/65/57/373096557.db2.gz NUYFDIJWJOLBAX-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1[C@@H](C)CCCN1CC(=O)N1CCOCC1 ZINC000172858841 373097800 /nfs/dbraw/zinc/09/78/00/373097800.db2.gz NUYFDIJWJOLBAX-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CS(=O)(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000069124506 373112803 /nfs/dbraw/zinc/11/28/03/373112803.db2.gz AZGQFQBAVJJDKS-NSHDSACASA-N 0 3 246.376 0.896 20 0 BCADHN CC1(C)[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]21 ZINC000172967589 373113063 /nfs/dbraw/zinc/11/30/63/373113063.db2.gz ZGQKTYJKCYGVAV-DTORHVGOSA-N 0 3 237.303 0.126 20 0 BCADHN 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169068751 /nfs/dbraw/zinc/06/87/51/169068751.db2.gz PKAFVVIGIATZCO-UHFFFAOYSA-N 0 3 213.325 0.102 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@](C)(O)C1 ZINC000359639593 169068882 /nfs/dbraw/zinc/06/88/82/169068882.db2.gz NUSOPUDPRJFUCY-NSHDSACASA-N 0 3 214.309 0.312 20 0 BCADHN O[C@@H]1CCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000151919639 183197866 /nfs/dbraw/zinc/19/78/66/183197866.db2.gz TYHHRVKMMOCCEN-GFCCVEGCSA-N 0 3 244.298 0.834 20 0 BCADHN CCCN(C)CC(=O)N1CCN(CC)C[C@@H]1C ZINC000341772340 169069027 /nfs/dbraw/zinc/06/90/27/169069027.db2.gz LTJCSKKJJXHKFC-LBPRGKRZSA-N 0 3 241.379 0.881 20 0 BCADHN CCCN(C)CC(=O)NCC[C@@H](C)O ZINC000339946509 169069525 /nfs/dbraw/zinc/06/95/25/169069525.db2.gz JHYBHSGRFTVAOV-SECBINFHSA-N 0 3 202.298 0.215 20 0 BCADHN CCCN(C)CC(=O)NCCC(C)(C)O ZINC000360905607 169070095 /nfs/dbraw/zinc/07/00/95/169070095.db2.gz HWQPBATVPYTFPS-UHFFFAOYSA-N 0 3 216.325 0.605 20 0 BCADHN CCCN(C)CC(=O)NCCOC(F)(F)F ZINC000356802526 169070614 /nfs/dbraw/zinc/07/06/14/169070614.db2.gz IIEFRDXLMUMUKV-UHFFFAOYSA-N 0 3 242.241 0.981 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000331036351 169070813 /nfs/dbraw/zinc/07/08/13/169070813.db2.gz BGXKUUVCWSVISD-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN CCCN(C)CC(=O)NCCc1cnn(C)c1 ZINC000358554811 169070890 /nfs/dbraw/zinc/07/08/90/169070890.db2.gz LGHFWUYJYGDVBZ-UHFFFAOYSA-N 0 3 238.335 0.421 20 0 BCADHN CCCN(C)CC(=O)NC[C@@H](COC)OC ZINC000358370113 169071001 /nfs/dbraw/zinc/07/10/01/169071001.db2.gz CIOYAXOYKAKQHF-JTQLQIEISA-N 0 3 232.324 0.106 20 0 BCADHN O[C@@H](CN1CCOC[C@@H](O)C1)C1CCCCC1 ZINC000332375611 183208369 /nfs/dbraw/zinc/20/83/69/183208369.db2.gz WOYVWNVJJGZFAG-STQMWFEESA-N 0 3 243.347 0.621 20 0 BCADHN CCCN(C)CC(=O)NCCN1CC=CCC1 ZINC000357628013 169071778 /nfs/dbraw/zinc/07/17/78/169071778.db2.gz BSWQCHLLMNEQTB-UHFFFAOYSA-N 0 3 239.363 0.706 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)c1cnn(C)c1 ZINC000330919135 169072169 /nfs/dbraw/zinc/07/21/69/169072169.db2.gz YBBSZFLINCKYRN-JTQLQIEISA-N 0 3 238.335 0.939 20 0 BCADHN CCCN(C)CC(=O)NCc1ccn(C)c1 ZINC000357263385 169072445 /nfs/dbraw/zinc/07/24/45/169072445.db2.gz LOMMEAXDTMZEOD-UHFFFAOYSA-N 0 3 223.320 0.983 20 0 BCADHN CCCN(C)CC(=O)NCc1[nH]cnc1C ZINC000331104713 169072508 /nfs/dbraw/zinc/07/25/08/169072508.db2.gz QGMBBXVKCHPYGB-UHFFFAOYSA-N 0 3 224.308 0.676 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000341726534 169072571 /nfs/dbraw/zinc/07/25/71/169072571.db2.gz DXFIUZPIIFDGIX-WDEREUQCSA-N 0 3 226.320 0.381 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](CC)CCO ZINC000356159567 169072828 /nfs/dbraw/zinc/07/28/28/169072828.db2.gz ADKZBGGMDMVNIR-LLVKDONJSA-N 0 3 230.352 0.853 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](OC)C1CC1 ZINC000358165512 169073101 /nfs/dbraw/zinc/07/31/01/169073101.db2.gz AOQAAEPWWYCFNK-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CCCN(C)CC(=O)NCc1cc(C)no1 ZINC000358612967 169073144 /nfs/dbraw/zinc/07/31/44/169073144.db2.gz JWRPEMBADSIWNI-UHFFFAOYSA-N 0 3 225.292 0.941 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)[C@H](CO)SC ZINC000341736955 169073183 /nfs/dbraw/zinc/07/31/83/169073183.db2.gz NSIVIRBAYKEKDT-UWVGGRQHSA-N 0 3 248.392 0.557 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](O)C1CC1 ZINC000337597820 169073325 /nfs/dbraw/zinc/07/33/25/169073325.db2.gz BVCSKBZQRWINRI-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN CCCN(C)CC(=O)NCc1cnn(C)c1C ZINC000330488209 169074146 /nfs/dbraw/zinc/07/41/46/169074146.db2.gz IJVNGPAEVIJNQT-UHFFFAOYSA-N 0 3 238.335 0.687 20 0 BCADHN CCCN(C)CC(=O)NC[C@H](CO)C1CC1 ZINC000359819227 169074397 /nfs/dbraw/zinc/07/43/97/169074397.db2.gz HJEVZDFMHAIBRA-LLVKDONJSA-N 0 3 228.336 0.463 20 0 BCADHN CCCN(C)CC(=O)NCc1ncc[nH]1 ZINC000330916916 169074432 /nfs/dbraw/zinc/07/44/32/169074432.db2.gz VQERSVDXCLSTFV-UHFFFAOYSA-N 0 3 210.281 0.368 20 0 BCADHN CCCN(C)CC(=O)N[C@H]1CCSC1 ZINC000361989643 169074765 /nfs/dbraw/zinc/07/47/65/169074765.db2.gz SMUKBJXZQXYZJY-VIFPVBQESA-N 0 3 216.350 0.950 20 0 BCADHN O[C@@H]1CC[C@H]1NCc1cnn2ccccc12 ZINC000335280164 183205263 /nfs/dbraw/zinc/20/52/63/183205263.db2.gz 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ZINC000357993974 169066317 /nfs/dbraw/zinc/06/63/17/169066317.db2.gz VNELXPHRIABSHY-UHFFFAOYSA-N 0 3 242.363 0.949 20 0 BCADHN CCCN(C)CC(=O)N1CCCN(CC)CC1 ZINC000355635600 169066737 /nfs/dbraw/zinc/06/67/37/169066737.db2.gz JJPLEXCMWLRYJM-UHFFFAOYSA-N 0 3 241.379 0.882 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H](C)[C@H](CO)C1 ZINC000360834094 169066859 /nfs/dbraw/zinc/06/68/59/169066859.db2.gz IMXZVJSXLCOROA-QWRGUYRKSA-N 0 3 228.336 0.415 20 0 BCADHN CCCN(C)CC(=O)N1CCOC[C@@H]1CC ZINC000355585722 169066903 /nfs/dbraw/zinc/06/69/03/169066903.db2.gz MYKKGMWCFVWJMN-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN O[C@H](CNCc1c[nH]c2nccnc12)C(F)F ZINC000356184723 183224300 /nfs/dbraw/zinc/22/43/00/183224300.db2.gz DWVUBHRGOCMARO-SSDOTTSWSA-N 0 3 242.229 0.625 20 0 BCADHN CCCN(C)[C@H](C)C(=O)NCC(=O)OC ZINC000123558232 169085741 /nfs/dbraw/zinc/08/57/41/169085741.db2.gz SDJVSKRXHHRBAL-MRVPVSSYSA-N 0 3 216.281 0.006 20 0 BCADHN O[C@@H]1COCCN(CCc2ccccc2)C1 ZINC000294900837 183209104 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CCCN(CCNS(C)(=O)=O)CC(C)C ZINC000336700447 169159757 /nfs/dbraw/zinc/15/97/57/169159757.db2.gz PIYLDNBBUIRAEK-UHFFFAOYSA-N 0 3 236.381 0.904 20 0 BCADHN CCCN(CCO)C(=O)NCCN(C)C1CC1 ZINC000352732844 169160597 /nfs/dbraw/zinc/16/05/97/169160597.db2.gz UHKWAJPTCQRFNO-UHFFFAOYSA-N 0 3 243.351 0.495 20 0 BCADHN CCCN(CCO)C(=O)[C@@H](C(C)C)N(C)C ZINC000342046054 169162900 /nfs/dbraw/zinc/16/29/00/169162900.db2.gz QHTAIAAGCNWYPL-LLVKDONJSA-N 0 3 230.352 0.804 20 0 BCADHN CCCN1CCC(CS(N)(=O)=O)CC1 ZINC000104064423 169186001 /nfs/dbraw/zinc/18/60/01/169186001.db2.gz VWYVGKIOFHAHIY-UHFFFAOYSA-N 0 3 220.338 0.397 20 0 BCADHN c1[nH]nc2c1CN(C[C@@H]1CCOC1)CC2 ZINC000336554345 183320559 /nfs/dbraw/zinc/32/05/59/183320559.db2.gz ZTVKQFQRIZSVRS-VIFPVBQESA-N 0 3 207.277 0.804 20 0 BCADHN c1c[nH]c(CN2CCN(CC3CC3)CC2)n1 ZINC000171919030 183325139 /nfs/dbraw/zinc/32/51/39/183325139.db2.gz RRKFDRIMSAWMAJ-UHFFFAOYSA-N 0 3 220.320 0.937 20 0 BCADHN CCCN1CCCN(C(=O)C(C)(C)N)CC1=O ZINC000335149419 169192105 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IFPYASONJPJNBT-UHFFFAOYSA-N 0 3 222.336 0.948 20 0 BCADHN CCCN1CCN(Cc2nccn2C)CC1 ZINC000069327487 169203706 /nfs/dbraw/zinc/20/37/06/169203706.db2.gz MUHYOEKZCLNMFB-UHFFFAOYSA-N 0 3 222.336 0.948 20 0 BCADHN CCCN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000037489591 169204282 /nfs/dbraw/zinc/20/42/82/169204282.db2.gz JKBDQVCLQZCDSR-NWDGAFQWSA-N 0 3 212.337 0.927 20 0 BCADHN CCCNC(=O)CN1CCC[C@H]1CCO ZINC000308788558 169223029 /nfs/dbraw/zinc/22/30/29/169223029.db2.gz CELKKUGYVODPTR-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN CCCNC(=O)CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000126124974 169225058 /nfs/dbraw/zinc/22/50/58/169225058.db2.gz VYVOLQJPSKIHAE-ZJUUUORDSA-N 0 3 241.335 0.017 20 0 BCADHN CCCN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135726673 169206603 /nfs/dbraw/zinc/20/66/03/169206603.db2.gz HJHDBOZGVNFZHN-LLVKDONJSA-N 0 3 246.376 0.896 20 0 BCADHN c1cc(CNCCCN2CCOCC2)n[nH]1 ZINC000036900199 183349446 /nfs/dbraw/zinc/34/94/46/183349446.db2.gz NZKUQHXVFSPAIF-UHFFFAOYSA-N 0 3 224.308 0.222 20 0 BCADHN c1cc(CNCCN2CCCOCC2)ccn1 ZINC000289464705 183349841 /nfs/dbraw/zinc/34/98/41/183349841.db2.gz OUDUMZXOJJMGHZ-UHFFFAOYSA-N 0 3 235.331 0.894 20 0 BCADHN c1cc(CN[C@@H]2CCc3nc[nH]c3C2)n[nH]1 ZINC000335607360 183353575 /nfs/dbraw/zinc/35/35/75/183353575.db2.gz WJDHQVNQUGLYDG-MRVPVSSYSA-N 0 3 217.276 0.780 20 0 BCADHN c1cc(CN[C@@H]2CCc3[nH]cnc3C2)n[nH]1 ZINC000335607360 183353578 /nfs/dbraw/zinc/35/35/78/183353578.db2.gz WJDHQVNQUGLYDG-MRVPVSSYSA-N 0 3 217.276 0.780 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@@H](CC)N(C)C ZINC000124912669 169216136 /nfs/dbraw/zinc/21/61/36/169216136.db2.gz WUSHAJIDECRIHB-SNVBAGLBSA-N 0 3 243.351 0.359 20 0 BCADHN CCCNC(=O)CCNC(=O)[C@@H](N)[C@@H](C)CC ZINC000045088647 169216459 /nfs/dbraw/zinc/21/64/59/169216459.db2.gz QQVUXRKLIKWPIN-ONGXEEELSA-N 0 3 243.351 0.392 20 0 BCADHN CCCNC(=O)CN(CC)C[C@H]1CCOC1 ZINC000052071649 169219571 /nfs/dbraw/zinc/21/95/71/169219571.db2.gz AKNPWKLGRLWJLQ-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CCCNC(=O)NC(=O)CN(CC)CCC ZINC000346298228 169235067 /nfs/dbraw/zinc/23/50/67/169235067.db2.gz OJFWKEXFTQXDJJ-UHFFFAOYSA-N 0 3 229.324 0.954 20 0 BCADHN c1nnc2ccc(NCCN3CCCC3)nn12 ZINC000298284888 183377182 /nfs/dbraw/zinc/37/71/82/183377182.db2.gz FBWRPPOAOHWSDQ-UHFFFAOYSA-N 0 3 232.291 0.632 20 0 BCADHN CCCNC(=O)[C@H](C)N1CCCC[C@H](CO)C1 ZINC000363348529 169245763 /nfs/dbraw/zinc/24/57/63/169245763.db2.gz PGXCUJXQYFVALM-RYUDHWBXSA-N 0 3 242.363 0.996 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000364728289 169298170 /nfs/dbraw/zinc/29/81/70/169298170.db2.gz ABWIKKKNKHOLJH-DTWKUNHWSA-N 0 3 246.282 0.146 20 0 BCADHN CCCS(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000112799455 169330007 /nfs/dbraw/zinc/33/00/07/169330007.db2.gz VELQGEQPUFJSNM-UHFFFAOYSA-N 0 3 248.392 1.000 20 0 BCADHN CCC[C@@H](C)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000337314971 169367207 /nfs/dbraw/zinc/36/72/07/169367207.db2.gz IUCDGVQLXCOPBA-NXEZZACHSA-N 0 3 234.365 0.928 20 0 BCADHN CCC[C@@H](C(=O)N[C@@H]1CC(=O)N(C)C1)N(C)C ZINC000330508635 169345517 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240.347 0.843 20 0 BCADHN COC[C@H](O)CNCc1cccc(O)c1 ZINC000070589208 383938805 /nfs/dbraw/zinc/93/88/05/383938805.db2.gz YWQVZGZIYRAMMD-LLVKDONJSA-N 0 3 211.261 0.489 20 0 BCADHN COC[C@@H](O)CNCc1ccsc1 ZINC000070558995 383940695 /nfs/dbraw/zinc/94/06/95/383940695.db2.gz XIFQBCLQVOCHQA-VIFPVBQESA-N 0 3 201.291 0.845 20 0 BCADHN COC[C@@H](O)CN[C@@H](C)c1cccnc1 ZINC000070558708 383941237 /nfs/dbraw/zinc/94/12/37/383941237.db2.gz NTYIOHABBRNLFJ-ONGXEEELSA-N 0 3 210.277 0.740 20 0 BCADHN COc1ncncc1CNCCc1cn[nH]c1 ZINC000647211901 383943703 /nfs/dbraw/zinc/94/37/03/383943703.db2.gz LBXKBXCTXNDTHW-UHFFFAOYSA-N 0 3 233.275 0.541 20 0 BCADHN CO[C@H](CN[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000400230683 383943884 /nfs/dbraw/zinc/94/38/84/383943884.db2.gz LYLCLJULTCXURM-NXEZZACHSA-N 0 3 212.293 0.232 20 0 BCADHN CC[C@@H](COC)NC(=O)[C@@H](N)CC(C)C ZINC000070626184 383945547 /nfs/dbraw/zinc/94/55/47/383945547.db2.gz UGMBOSAERNQUJU-UWVGGRQHSA-N 0 3 216.325 0.901 20 0 BCADHN CC[C@H](N[C@H](C)CS(C)(=O)=O)[C@@H]1CCCO1 ZINC000223818778 383945791 /nfs/dbraw/zinc/94/57/91/383945791.db2.gz HQGBUTNYTPEULC-VWYCJHECSA-N 0 3 249.376 0.967 20 0 BCADHN CCCN(CC(N)=O)C[C@@H]1CCCC[C@@H]1O ZINC000569367750 383951604 /nfs/dbraw/zinc/95/16/04/383951604.db2.gz NDMDPKSSCFRBTE-QWRGUYRKSA-N 0 3 228.336 0.735 20 0 BCADHN CC[C@@H](C(=O)NCc1csc(=O)[nH]1)N(C)C ZINC000089507573 383972473 /nfs/dbraw/zinc/97/24/73/383972473.db2.gz BKYBSXPYWSFRQD-QMMMGPOBSA-N 0 3 243.332 0.393 20 0 BCADHN CC(C)NC(=O)[C@H](C)N[C@@H]1CO[C@H](C)C1 ZINC000401777831 383977290 /nfs/dbraw/zinc/97/72/90/383977290.db2.gz FOSKERWALZDCMX-UTLUCORTSA-N 0 3 214.309 0.667 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CCCCN3C2=O)CO1 ZINC000647216611 384016327 /nfs/dbraw/zinc/01/63/27/384016327.db2.gz UOYTYQRFZNDGMO-WRWGMCAJSA-N 0 3 238.331 0.907 20 0 BCADHN C[C@H](NC[C@H]1CN(C)CCN1C)c1ccccn1 ZINC000068802385 384016544 /nfs/dbraw/zinc/01/65/44/384016544.db2.gz YJCOXOGJWYCORH-STQMWFEESA-N 0 3 248.374 0.978 20 0 BCADHN 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CNC(=O)c1ccc(CNC[C@H](C)O)cc1 ZINC000037860188 384027368 /nfs/dbraw/zinc/02/73/68/384027368.db2.gz RQVNANQIGDQWQT-VIFPVBQESA-N 0 3 222.288 0.517 20 0 BCADHN Cc1cc(C(=O)N2C[C@H](C)NC[C@H]2C)n(C)n1 ZINC000090121949 384030110 /nfs/dbraw/zinc/03/01/10/384030110.db2.gz FHBOOFZBSRMTDZ-VHSXEESVSA-N 0 3 236.319 0.551 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)n(C)n1 ZINC000090121948 384030268 /nfs/dbraw/zinc/03/02/68/384030268.db2.gz FHBOOFZBSRMTDZ-ZJUUUORDSA-N 0 3 236.319 0.551 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1CO[C@H](C)C1 ZINC000647217195 384036314 /nfs/dbraw/zinc/03/63/14/384036314.db2.gz DLFZJURVKVOHLI-XFWSIPNHSA-N 0 3 201.266 0.167 20 0 BCADHN CCOC[C@@H](O)CN(C)CCc1ccncc1 ZINC000069276570 384038938 /nfs/dbraw/zinc/03/89/38/384038938.db2.gz PBYMFABFFLCJDW-ZDUSSCGKSA-N 0 3 238.331 0.953 20 0 BCADHN CC(=O)Nc1cccc([C@H](C)NC(=O)CN)c1 ZINC000037900991 384039899 /nfs/dbraw/zinc/03/98/99/384039899.db2.gz YYCHTTVAXFMZKQ-QMMMGPOBSA-N 0 3 235.287 0.781 20 0 BCADHN CNC(=O)c1ccc(CN[C@H](C)CO)cc1 ZINC000037927872 384041697 /nfs/dbraw/zinc/04/16/97/384041697.db2.gz WPANQFHVJBOVQU-SECBINFHSA-N 0 3 222.288 0.517 20 0 BCADHN COC[C@H](C)OC[C@@H](O)CN(C)C[C@@H](C)OC ZINC000310213000 384084898 /nfs/dbraw/zinc/08/48/98/384084898.db2.gz KVNXHDSYMPCTFY-WOPDTQHZSA-N 0 3 249.351 0.366 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cocn1 ZINC000648127724 384054397 /nfs/dbraw/zinc/05/43/97/384054397.db2.gz SXVCZCXLCFCMFD-JGVFFNPUSA-N 0 3 209.249 0.497 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H](N2CCCC2)C1 ZINC000363458951 384060809 /nfs/dbraw/zinc/06/08/09/384060809.db2.gz DSMBKAJXCZOONL-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN CCS(=O)(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000336528479 384061748 /nfs/dbraw/zinc/06/17/48/384061748.db2.gz MVZIWZIEVABVON-GHMZBOCLSA-N 0 3 246.376 0.895 20 0 BCADHN CSCC[C@@H](N)C(=O)N1CCO[C@@H](C)C1 ZINC000077558558 384069521 /nfs/dbraw/zinc/06/95/21/384069521.db2.gz IDVFQGYBXNQOBU-DTWKUNHWSA-N 0 3 232.349 0.314 20 0 BCADHN CSCC[C@@H](N)C(=O)N1CC[C@H](C)C1 ZINC000077558960 384071226 /nfs/dbraw/zinc/07/12/26/384071226.db2.gz RMZVONHQBUBXLI-DTWKUNHWSA-N 0 3 216.350 0.935 20 0 BCADHN C[C@H](O)CN(CCO)Cc1ccccc1 ZINC000050515283 384071520 /nfs/dbraw/zinc/07/15/20/384071520.db2.gz JLZASGKCLVFJBX-NSHDSACASA-N 0 3 209.289 0.862 20 0 BCADHN CC1(C)CN(CCN2CCNC2=O)CC[C@H]1O ZINC000310158237 384073107 /nfs/dbraw/zinc/07/31/07/384073107.db2.gz KGHMBCDLHWNRJB-SNVBAGLBSA-N 0 3 241.335 0.104 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1CCCN(C)C1)[C@@H](C)O ZINC000642901679 384073865 /nfs/dbraw/zinc/07/38/65/384073865.db2.gz ANGGLFQTAADPMN-MXWKQRLJSA-N 0 3 228.336 0.604 20 0 BCADHN C[C@H](NC[C@]1(O)CCOC1)c1cccnc1 ZINC000090848855 384078094 /nfs/dbraw/zinc/07/80/94/384078094.db2.gz OZMJTFLMZRBKQM-CMPLNLGQSA-N 0 3 222.288 0.884 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCOC1)c1ccncc1 ZINC000090848854 384079625 /nfs/dbraw/zinc/07/96/25/384079625.db2.gz GFGXAWKRQBGWMM-PWSUYJOCSA-N 0 3 222.288 0.884 20 0 BCADHN C[C@@H]1C[C@H](NC[C@@H]2CCCS2(=O)=O)CO1 ZINC000401833130 384097211 /nfs/dbraw/zinc/09/72/11/384097211.db2.gz NVGNWTUDKYBQPA-UTLUCORTSA-N 0 3 233.333 0.331 20 0 BCADHN CCC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000335904970 384110397 /nfs/dbraw/zinc/11/03/97/384110397.db2.gz YDIWWPNNQPLGOZ-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN Cc1ccncc1NC(=O)C[C@H]1CNCCO1 ZINC000091312167 384117297 /nfs/dbraw/zinc/11/72/97/384117297.db2.gz XLWMMIIJBMWBIF-JTQLQIEISA-N 0 3 235.287 0.707 20 0 BCADHN CN(C)S(=O)(=O)[C@@H]1CCCN(CC2CC2)C1 ZINC000335895766 384092634 /nfs/dbraw/zinc/09/26/34/384092634.db2.gz HSSHOMAFWZSAGZ-LLVKDONJSA-N 0 3 246.376 0.752 20 0 BCADHN NC(=O)[C@@]1(NCC2CCCC2)CCOC1 ZINC000569496185 384125353 /nfs/dbraw/zinc/12/53/53/384125353.db2.gz OKSGIIVZIRMPTG-LLVKDONJSA-N 0 3 212.293 0.411 20 0 BCADHN CN1CCN(C(=O)c2cnc[nH]2)CC1(C)C ZINC000560454593 384148436 /nfs/dbraw/zinc/14/84/36/384148436.db2.gz MWBHZWQCEAUMAX-UHFFFAOYSA-N 0 3 222.292 0.576 20 0 BCADHN Cc1n[nH]cc1CNCCSCCCO ZINC000222940886 384148542 /nfs/dbraw/zinc/14/85/42/384148542.db2.gz ZZTOZIAZXQTNIQ-UHFFFAOYSA-N 0 3 229.349 0.923 20 0 BCADHN CC(C)[C@H](N)c1cn([C@H](C)C(=O)N(C)C)nn1 ZINC000302344133 384149266 /nfs/dbraw/zinc/14/92/66/384149266.db2.gz MHUWACPNCFLJFP-SCZZXKLOSA-N 0 3 239.323 0.583 20 0 BCADHN COC[C@H](O)CNCc1ccc(OC)c(F)c1 ZINC000071269623 384158085 /nfs/dbraw/zinc/15/80/85/384158085.db2.gz FWECNSUCKPIFNE-SNVBAGLBSA-N 0 3 243.278 0.931 20 0 BCADHN CCN(C(=O)[C@@H]1CCCN1C1CC1)[C@@H](C)CO ZINC000358787490 384155510 /nfs/dbraw/zinc/15/55/10/384155510.db2.gz MEAXRAJWDFOFOA-JQWIXIFHSA-N 0 3 240.347 0.843 20 0 BCADHN COC(=O)[C@@H](C)CN(C)Cc1cn(C)nc1C ZINC000091985117 384156614 /nfs/dbraw/zinc/15/66/14/384156614.db2.gz NHUPHLBUKJOOMI-VIFPVBQESA-N 0 3 239.319 0.969 20 0 BCADHN COC[C@H](O)CN[C@@H]1CCc2c1cccc2O ZINC000071263908 384156733 /nfs/dbraw/zinc/15/67/33/384156733.db2.gz LRYMBPJYFFIWLI-BXKDBHETSA-N 0 3 237.299 0.976 20 0 BCADHN COC[C@H](CCO)N[C@@H]1CO[C@H](C)C1 ZINC000401857069 384144509 /nfs/dbraw/zinc/14/45/09/384144509.db2.gz GNEMTTBLLFFPTD-UTLUCORTSA-N 0 3 203.282 0.151 20 0 BCADHN CC(C)[C@H](N)c1cn(Cc2cncn2C)nn1 ZINC000302438016 384175484 /nfs/dbraw/zinc/17/54/84/384175484.db2.gz WDUOSERGWCOLFH-NSHDSACASA-N 0 3 234.307 0.716 20 0 BCADHN C[C@@H](NC(=O)[C@H](C)N)[C@@H](O)Cc1ccccc1 ZINC000237406881 384175537 /nfs/dbraw/zinc/17/55/37/384175537.db2.gz MZDLMUIAHJHEFX-UMNHJUIQSA-N 0 3 236.315 0.442 20 0 BCADHN COC(=O)c1ccc(CNC[C@@H](O)C2CC2)o1 ZINC000071302420 384162455 /nfs/dbraw/zinc/16/24/55/384162455.db2.gz HWRHIEGYDXPLNM-SNVBAGLBSA-N 0 3 239.271 0.927 20 0 BCADHN Cc1ccnc(N2CCCN(CCO)CC2)n1 ZINC000071349522 384163929 /nfs/dbraw/zinc/16/39/29/384163929.db2.gz QWHQDHFKEMBFBU-UHFFFAOYSA-N 0 3 236.319 0.289 20 0 BCADHN COC[C@H](O)CN[C@H](C)c1ccc(F)cn1 ZINC000092196412 384167788 /nfs/dbraw/zinc/16/77/88/384167788.db2.gz IQPSVWFWZJZLKO-PSASIEDQSA-N 0 3 228.267 0.879 20 0 BCADHN CC(=O)c1cccc(NC(=O)[C@H]2C[C@H](O)CN2)c1 ZINC000040858350 384168217 /nfs/dbraw/zinc/16/82/17/384168217.db2.gz YOJLVDAORKUNCE-NWDGAFQWSA-N 0 3 248.282 0.551 20 0 BCADHN C[C@H](CNCc1ccc(CO)o1)N(C)C ZINC000081555534 384185275 /nfs/dbraw/zinc/18/52/75/384185275.db2.gz KCEABTAPJIPDRS-SECBINFHSA-N 0 3 212.293 0.812 20 0 BCADHN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2N)C1(C)C ZINC000643711161 384202266 /nfs/dbraw/zinc/20/22/66/384202266.db2.gz JSCVAOOLDKRDPP-VPOLOUISSA-N 0 3 240.347 0.996 20 0 BCADHN C[C@H](O)CNC(=O)[C@H](C)N1CCCCCC1 ZINC000127401607 384188479 /nfs/dbraw/zinc/18/84/79/384188479.db2.gz CZMCMBCOKPNWAX-QWRGUYRKSA-N 0 3 228.336 0.748 20 0 BCADHN Cc1nn(C)cc1CN1CCC(C(N)=O)CC1 ZINC000408061683 384191860 /nfs/dbraw/zinc/19/18/60/384191860.db2.gz LODYTKHFAFVOKZ-UHFFFAOYSA-N 0 3 236.319 0.426 20 0 BCADHN CN(Cc1cscn1)C(=O)[C@]1(F)CCNC1 ZINC000370762948 384193001 /nfs/dbraw/zinc/19/30/01/384193001.db2.gz CTYLNSCBQHUMHI-JTQLQIEISA-N 0 3 243.307 0.803 20 0 BCADHN CC[C@@H](C)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000558607556 384193235 /nfs/dbraw/zinc/19/32/35/384193235.db2.gz ILMYLVICSPYEIK-NXEZZACHSA-N 0 3 234.365 0.799 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](CO)C2)n1 ZINC000092763409 384193246 /nfs/dbraw/zinc/19/32/46/384193246.db2.gz NPAUBGCYENCPHT-JTQLQIEISA-N 0 3 222.288 0.910 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](CO)C2)n1 ZINC000092763409 384193251 /nfs/dbraw/zinc/19/32/51/384193251.db2.gz NPAUBGCYENCPHT-JTQLQIEISA-N 0 3 222.288 0.910 20 0 BCADHN CC[C@@H](CN1CCNC(=O)C[C@@H]1C)OC ZINC000642699137 384195244 /nfs/dbraw/zinc/19/52/44/384195244.db2.gz WIGARLNBCLHKCP-UWVGGRQHSA-N 0 3 214.309 0.622 20 0 BCADHN C[C@H]1OCC[C@@H]1C(=O)NCCNc1ccncc1 ZINC000356543164 384195366 /nfs/dbraw/zinc/19/53/66/384195366.db2.gz YLJCGTKVRRLPNO-PWSUYJOCSA-N 0 3 249.314 0.457 20 0 BCADHN C[C@@H]1C[C@H]1CC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000354380327 384197867 /nfs/dbraw/zinc/19/78/67/384197867.db2.gz FGIZVYFCMSXHPH-GRYCIOLGSA-N 0 3 240.347 0.822 20 0 BCADHN O=C(N[C@@H]1CCOC1)[C@H]1CNCCC1(F)F ZINC000644160459 384230188 /nfs/dbraw/zinc/23/01/88/384230188.db2.gz PZVFVIJTXBOENH-HTQZYQBOSA-N 0 3 234.246 0.136 20 0 BCADHN CC[C@@H]1CN(Cc2ccnc(N)c2)C[C@@H]1O ZINC000278841595 384231485 /nfs/dbraw/zinc/23/14/85/384231485.db2.gz KWDSQSDZZWPRNX-MNOVXSKESA-N 0 3 221.304 0.867 20 0 BCADHN Cc1ccc(C(=O)NC[C@H]2CNCCO2)cc1N ZINC000644161122 384233855 /nfs/dbraw/zinc/23/38/55/384233855.db2.gz OBOCADIZWZLPIQ-LLVKDONJSA-N 0 3 249.314 0.295 20 0 BCADHN C[C@@H](C(N)=O)N(C)C[C@@H]1CCCOC1 ZINC000082545187 384234568 /nfs/dbraw/zinc/23/45/68/384234568.db2.gz DXLZPSVLPWPHNO-IUCAKERBSA-N 0 3 200.282 0.219 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCCOC1 ZINC000081901211 384210367 /nfs/dbraw/zinc/21/03/67/384210367.db2.gz JIPNFKLGAULFNZ-RKDXNWHRSA-N 0 3 221.322 0.188 20 0 BCADHN CCOC[C@H](C)N[C@@H](C)CS(C)(=O)=O ZINC000081900967 384210519 /nfs/dbraw/zinc/21/05/19/384210519.db2.gz RLEIUXKYBAFSSD-IUCAKERBSA-N 0 3 223.338 0.434 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@@H]1CCCCO1 ZINC000081900918 384210745 /nfs/dbraw/zinc/21/07/45/384210745.db2.gz FQSBJDFMVSBEHR-UWVGGRQHSA-N 0 3 235.349 0.578 20 0 BCADHN CCOCCN[C@H](C)CS(C)(=O)=O ZINC000081899395 384210910 /nfs/dbraw/zinc/21/09/10/384210910.db2.gz ZDWDHCQSWJTNPA-MRVPVSSYSA-N 0 3 209.311 0.046 20 0 BCADHN COC[C@@H](C)N[C@H](C)CS(C)(=O)=O ZINC000081898675 384211326 /nfs/dbraw/zinc/21/13/26/384211326.db2.gz SRILXDWBJYPKMX-HTQZYQBOSA-N 0 3 209.311 0.044 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCN1CCCC1 ZINC000081899019 384211383 /nfs/dbraw/zinc/21/13/83/384211383.db2.gz WYTJEVQYFQCVBZ-SNVBAGLBSA-N 0 3 234.365 0.105 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCSC1 ZINC000081901816 384211543 /nfs/dbraw/zinc/21/15/43/384211543.db2.gz PMTLNWMQHUYGOK-HTQZYQBOSA-N 0 3 223.363 0.515 20 0 BCADHN C[C@H](CS(C)(=O)=O)N[C@H]1CCSC1 ZINC000081901818 384211800 /nfs/dbraw/zinc/21/18/00/384211800.db2.gz PMTLNWMQHUYGOK-SFYZADRCSA-N 0 3 223.363 0.515 20 0 BCADHN COCCCCN[C@H](C)CS(C)(=O)=O ZINC000081900957 384211970 /nfs/dbraw/zinc/21/19/70/384211970.db2.gz SVZABDJFTODQTO-SECBINFHSA-N 0 3 223.338 0.436 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H]1CC1(C)C ZINC000081900996 384212099 /nfs/dbraw/zinc/21/20/99/384212099.db2.gz TWTSMXHSJRYYTM-JGVFFNPUSA-N 0 3 205.323 0.808 20 0 BCADHN C[C@H]1C[C@@H](O)CN1CCc1cnccn1 ZINC000402887596 384214901 /nfs/dbraw/zinc/21/49/01/384214901.db2.gz CMPDSPZMIJSGCA-GXSJLCMTSA-N 0 3 207.277 0.474 20 0 BCADHN Cc1c(CNC(=O)[C@H]2NCC2(C)C)cnn1C ZINC000644156301 384219325 /nfs/dbraw/zinc/21/93/25/384219325.db2.gz FUOFPUQEMKVQGD-SNVBAGLBSA-N 0 3 236.319 0.343 20 0 BCADHN CN(C)CCNC(=O)Cc1ccc(O)cc1 ZINC000082260954 384220100 /nfs/dbraw/zinc/22/01/00/384220100.db2.gz TVEXDTNMUJQYFV-UHFFFAOYSA-N 0 3 222.288 0.613 20 0 BCADHN Cn1cc(C(=O)NC2CCN(C)CC2)cn1 ZINC000082258660 384221073 /nfs/dbraw/zinc/22/10/73/384221073.db2.gz GVSDDPGSPUOWGR-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1CCc1cnccn1 ZINC000402899630 384222210 /nfs/dbraw/zinc/22/22/10/384222210.db2.gz GPHQEWGGQMRONL-PWSUYJOCSA-N 0 3 221.304 0.864 20 0 BCADHN OCCN(CCc1cnccn1)C1CCC1 ZINC000402891129 384222296 /nfs/dbraw/zinc/22/22/96/384222296.db2.gz FMVPNBUVKLETHM-UHFFFAOYSA-N 0 3 221.304 0.866 20 0 BCADHN C[C@@]1(O)CCN(CCc2cnccn2)C1 ZINC000402899727 384222373 /nfs/dbraw/zinc/22/23/73/384222373.db2.gz KRIFPXHEUMVEDP-LLVKDONJSA-N 0 3 207.277 0.476 20 0 BCADHN Cn1nccc1CNCC1(CCO)CC1 ZINC000133050653 384223379 /nfs/dbraw/zinc/22/33/79/384223379.db2.gz NQOYAVXGKHKPHA-UHFFFAOYSA-N 0 3 209.293 0.672 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC000336606887 384227354 /nfs/dbraw/zinc/22/73/54/384227354.db2.gz ZWRPGDNBSDGZNX-WCQYABFASA-N 0 3 240.347 0.966 20 0 BCADHN C[C@@H]1CN(C(=O)c2ccc[nH]2)[C@@H](C)CN1 ZINC000083118198 384277020 /nfs/dbraw/zinc/27/70/20/384277020.db2.gz WKVGCFDVAPMSBU-BDAKNGLRSA-N 0 3 207.277 0.837 20 0 BCADHN Cc1ccc([O-])c(C[NH+]2CCC(C(N)=O)CC2)n1 ZINC000158590067 384248000 /nfs/dbraw/zinc/24/80/00/384248000.db2.gz DHIDICXFSKBYNZ-UHFFFAOYSA-N 0 3 249.314 0.793 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C(C)(C)CO)n1 ZINC000082717525 384259956 /nfs/dbraw/zinc/25/99/56/384259956.db2.gz UIAXWWKGABFETD-UHFFFAOYSA-N 0 3 210.277 0.956 20 0 BCADHN [NH3+]C1(C[N-]S(=O)(=O)c2cscn2)CCC1 ZINC000521042435 384262029 /nfs/dbraw/zinc/26/20/29/384262029.db2.gz HAMIZIBVKZTKSA-UHFFFAOYSA-N 0 3 247.345 0.303 20 0 BCADHN C[C@@H](CNC(=O)C1(N)CC1)Cn1cccn1 ZINC000237522780 384263695 /nfs/dbraw/zinc/26/36/95/384263695.db2.gz RQQHOOVTEVXCHP-VIFPVBQESA-N 0 3 222.292 0.127 20 0 BCADHN CC[C@H](N)C(=O)N(C)Cc1nccs1 ZINC000261593146 384278353 /nfs/dbraw/zinc/27/83/53/384278353.db2.gz WQUVGQMBXLDMIP-ZETCQYMHSA-N 0 3 213.306 0.839 20 0 BCADHN Cn1nccc1CN1CCC[C@H](CC(N)=O)C1 ZINC000093809090 384268315 /nfs/dbraw/zinc/26/83/15/384268315.db2.gz TZGRDXKQSOMPLC-SNVBAGLBSA-N 0 3 236.319 0.508 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@H](C)[C@@H]1CO ZINC000305170544 384269958 /nfs/dbraw/zinc/26/99/58/384269958.db2.gz JLROCDSIKWGQCB-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN CC(C)(C)[C@@H](O)CNC(=O)[C@@H](N)C(C)(C)C ZINC000324305139 384271668 /nfs/dbraw/zinc/27/16/68/384271668.db2.gz XFVYDEBSJGGOQW-DTWKUNHWSA-N 0 3 230.352 0.883 20 0 BCADHN Cc1cnn(C)c1CN[C@@H]1CO[C@@H](C)C1 ZINC000335426363 384275101 /nfs/dbraw/zinc/27/51/01/384275101.db2.gz UUNLCLVVWFAYHR-UWVGGRQHSA-N 0 3 209.293 0.996 20 0 BCADHN CC(=O)N1CCN(C(=O)[C@@H](N)CC(C)C)CC1 ZINC000011960940 384304549 /nfs/dbraw/zinc/30/45/49/384304549.db2.gz XDLPXFOLRUBMCD-NSHDSACASA-N 0 3 241.335 0.051 20 0 BCADHN C[C@@H](CC[NH+](C)C)NC(=O)c1cc(=O)[n-]cn1 ZINC000625568179 384314333 /nfs/dbraw/zinc/31/43/33/384314333.db2.gz RRSITSBARMETIQ-QMMMGPOBSA-N 0 3 238.291 0.252 20 0 BCADHN CC1(C(=O)Nc2ncccc2[O-])C[NH2+]C1 ZINC000332481250 384316522 /nfs/dbraw/zinc/31/65/22/384316522.db2.gz UZEWEXPLHDSNOM-UHFFFAOYSA-N 0 3 207.233 0.335 20 0 BCADHN CN1CCC[C@H]1CNC(=O)c1ccc[nH]1 ZINC000082277523 384318422 /nfs/dbraw/zinc/31/84/22/384318422.db2.gz SUGKTMOVZLVQNW-VIFPVBQESA-N 0 3 207.277 0.839 20 0 BCADHN CC(C)N(C)C(=O)CN[C@@H](CO)C(C)(C)C ZINC000332502630 384320723 /nfs/dbraw/zinc/32/07/23/384320723.db2.gz USJNYSPHWZFFHK-JTQLQIEISA-N 0 3 230.352 0.850 20 0 BCADHN CC(C)N(C)C(=O)CN[C@H](CO)C(C)(C)C ZINC000332502631 384320755 /nfs/dbraw/zinc/32/07/55/384320755.db2.gz USJNYSPHWZFFHK-SNVBAGLBSA-N 0 3 230.352 0.850 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)C2(N)CCCC2)CO1 ZINC000335437002 384280156 /nfs/dbraw/zinc/28/01/56/384280156.db2.gz FXYJVLPJFUQUJT-BDAKNGLRSA-N 0 3 212.293 0.552 20 0 BCADHN CC1(C)CN(CCc2cnccn2)C[C@H]1O ZINC000402940501 384280986 /nfs/dbraw/zinc/28/09/86/384280986.db2.gz XQPZENLUQVNGCI-LLVKDONJSA-N 0 3 221.304 0.722 20 0 BCADHN CC[C@H](N)C(=O)N1CCSC[C@H]1C ZINC000069761780 384282752 /nfs/dbraw/zinc/28/27/52/384282752.db2.gz AWFWKMLNKCREIO-SFYZADRCSA-N 0 3 202.323 0.688 20 0 BCADHN C[C@H]1CN(CCc2cnccn2)CC[C@@H]1O ZINC000402943759 384283140 /nfs/dbraw/zinc/28/31/40/384283140.db2.gz ZONKHTCBTSQJQE-JQWIXIFHSA-N 0 3 221.304 0.722 20 0 BCADHN CCCCOCCCNC(=O)[C@H](C)N ZINC000083343822 384289364 /nfs/dbraw/zinc/28/93/64/384289364.db2.gz ZTPSWZCDBARGOX-VIFPVBQESA-N 0 3 202.298 0.657 20 0 BCADHN CCSCC[C@@H](C)NC(=O)[C@@H](C)N ZINC000157685720 384290366 /nfs/dbraw/zinc/29/03/66/384290366.db2.gz XUWRWIGVAVUOPQ-HTQZYQBOSA-N 0 3 204.339 0.982 20 0 BCADHN Cc1ccc(C)c(CNC[C@H](O)CO)c1 ZINC000083345863 384291068 /nfs/dbraw/zinc/29/10/68/384291068.db2.gz LANHCGSMJWHXQU-LBPRGKRZSA-N 0 3 209.289 0.746 20 0 BCADHN Cn1cccc(NC(=O)[C@]2(F)CCNC2)c1=O ZINC000370773539 384291581 /nfs/dbraw/zinc/29/15/81/384291581.db2.gz OOKFNAFTRXEECC-NSHDSACASA-N 0 3 239.250 0.025 20 0 BCADHN CCOc1cc(CNC(=O)CN)ccc1OC ZINC000083365712 384292007 /nfs/dbraw/zinc/29/20/07/384292007.db2.gz WNUVAZMIFULMTQ-UHFFFAOYSA-N 0 3 238.287 0.669 20 0 BCADHN C[C@H]1C[C@H](NCC2(S(C)(=O)=O)CC2)CO1 ZINC000401922957 384294043 /nfs/dbraw/zinc/29/40/43/384294043.db2.gz PDHZHUYQMSSJQJ-IUCAKERBSA-N 0 3 233.333 0.331 20 0 BCADHN CN1CCCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000335494403 384299520 /nfs/dbraw/zinc/29/95/20/384299520.db2.gz GAJMPEXXHBBXDP-NSHDSACASA-N 0 3 225.336 0.278 20 0 BCADHN CC[C@@H](NCCOCCO)c1cnn(C)c1 ZINC000159094652 384300076 /nfs/dbraw/zinc/30/00/76/384300076.db2.gz GONDWFPMQLGTHS-LLVKDONJSA-N 0 3 227.308 0.470 20 0 BCADHN C[C@@H](CN(C)C)NCc1cnc(N(C)C)n1C ZINC000168710346 384303029 /nfs/dbraw/zinc/30/30/29/384303029.db2.gz GBMWEFIQGXSWNC-JTQLQIEISA-N 0 3 239.367 0.526 20 0 BCADHN Cc1cccnc1CNC(=O)C1(N)CC1 ZINC000083836096 384335760 /nfs/dbraw/zinc/33/57/60/384335760.db2.gz JXHIXLBOPSHAQK-UHFFFAOYSA-N 0 3 205.261 0.498 20 0 BCADHN C[C@H]1CN(C(=O)C2(N)CC2)CC(C)(C)O1 ZINC000083835723 384337084 /nfs/dbraw/zinc/33/70/84/384337084.db2.gz SJHORCJAGNHORW-QMMMGPOBSA-N 0 3 212.293 0.504 20 0 BCADHN CNCC(=O)N(C)Cc1nc2ccccc2n1C ZINC000168842379 384337523 /nfs/dbraw/zinc/33/75/23/384337523.db2.gz XSSAHUDVDUWBMJ-UHFFFAOYSA-N 0 3 246.314 0.751 20 0 BCADHN Cn1cc(CCN[C@@H](CO)c2ccccc2)nn1 ZINC000647323857 384339699 /nfs/dbraw/zinc/33/96/99/384339699.db2.gz BPQNEGXRMNPHNI-ZDUSSCGKSA-N 0 3 246.314 0.681 20 0 BCADHN Cc1nc(CCNC(=O)C(C)(C)N)cs1 ZINC000083883580 384341167 /nfs/dbraw/zinc/34/11/67/384341167.db2.gz CJRXTOIDDYPSFQ-UHFFFAOYSA-N 0 3 227.333 0.848 20 0 BCADHN Cn1nnc(CNC(C)(C)CN2CCCC2)n1 ZINC000308633060 384342011 /nfs/dbraw/zinc/34/20/11/384342011.db2.gz IQABGCDVNZNKIU-UHFFFAOYSA-N 0 3 238.339 0.174 20 0 BCADHN CN(CCN1C(=O)CNC1=O)C1CCC1 ZINC000075841730 384342279 /nfs/dbraw/zinc/34/22/79/384342279.db2.gz OKWKPFPNJYJGIJ-UHFFFAOYSA-N 0 3 211.265 0.023 20 0 BCADHN CNCC(=O)N1CCOC[C@H]1CC(C)C ZINC000083940870 384346440 /nfs/dbraw/zinc/34/64/40/384346440.db2.gz LKSXJFVQQVBQCQ-SNVBAGLBSA-N 0 3 214.309 0.479 20 0 BCADHN CC[C@H](CN1CCN(CCO)C(C)(C)C1)OC ZINC000642704051 384349685 /nfs/dbraw/zinc/34/96/85/384349685.db2.gz RZOCDIYVXXXDMF-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN O=S(=O)(CC1CCC1)N[C@@H]1CCCNC1 ZINC000335586618 384352134 /nfs/dbraw/zinc/35/21/34/384352134.db2.gz NMVLKYNJPRTOBV-SNVBAGLBSA-N 0 3 232.349 0.458 20 0 BCADHN CCC[C@@H](O)CN1CCN(C)C[C@H]1C ZINC000300354987 384356145 /nfs/dbraw/zinc/35/61/45/384356145.db2.gz LBQHTHSNRLDODW-GHMZBOCLSA-N 0 3 200.326 0.783 20 0 BCADHN CC[C@H](N[C@H]1C[C@H](OC)C1(C)C)C(N)=O ZINC000300357521 384358198 /nfs/dbraw/zinc/35/81/98/384358198.db2.gz CBVAVCGIHQZTND-CIUDSAMLSA-N 0 3 214.309 0.653 20 0 BCADHN C[C@@H]1OCC[C@]1(C)N[C@@H]1CCN(C)C1=O ZINC000300371155 384359296 /nfs/dbraw/zinc/35/92/96/384359296.db2.gz UVDRMBOOJOIDGD-NGZCFLSTSA-N 0 3 212.293 0.374 20 0 BCADHN Cn1cc([C@@H](CO)NCCC(C)(C)O)cn1 ZINC000330364089 384364855 /nfs/dbraw/zinc/36/48/55/384364855.db2.gz DRCRNKOKXAEEMV-SNVBAGLBSA-N 0 3 227.308 0.204 20 0 BCADHN CCOC[C@H](N[C@@H]1COC[C@H]1O)C(C)C ZINC000300366535 384365634 /nfs/dbraw/zinc/36/56/34/384365634.db2.gz WZWKMZMEBVACAT-HBNTYKKESA-N 0 3 217.309 0.397 20 0 BCADHN COC[C@@H](O)CNCc1scnc1C ZINC000084149440 384369328 /nfs/dbraw/zinc/36/93/28/384369328.db2.gz LEZHIKWJBUNPBH-QMMMGPOBSA-N 0 3 216.306 0.548 20 0 BCADHN CC(=O)NCCCN[C@@H](C)c1nccn1C ZINC000330364641 384370345 /nfs/dbraw/zinc/37/03/45/384370345.db2.gz TYEJKFAZYATOKR-VIFPVBQESA-N 0 3 224.308 0.597 20 0 BCADHN Cc1cn[nH]c1CN[C@H]1CCCN(C)C1=O ZINC000335600603 384372587 /nfs/dbraw/zinc/37/25/87/384372587.db2.gz YKQVWZNQZUEOKK-VIFPVBQESA-N 0 3 222.292 0.429 20 0 BCADHN C[C@@H](CCn1cccn1)NCCS(C)(=O)=O ZINC000134631700 384372661 /nfs/dbraw/zinc/37/26/61/384372661.db2.gz OYOQNPYDWRYBIQ-JTQLQIEISA-N 0 3 245.348 0.296 20 0 BCADHN CN(C)[C@H](CNC(=O)c1ncn[nH]1)c1ccco1 ZINC000095040639 384328165 /nfs/dbraw/zinc/32/81/65/384328165.db2.gz BIPBMTKWZYZRNU-MRVPVSSYSA-N 0 3 249.274 0.430 20 0 BCADHN CN(C)[C@H](CNC(=O)c1nc[nH]n1)c1ccco1 ZINC000095040639 384328172 /nfs/dbraw/zinc/32/81/72/384328172.db2.gz BIPBMTKWZYZRNU-MRVPVSSYSA-N 0 3 249.274 0.430 20 0 BCADHN CN(CC(C)(C)C)C(=O)[C@H]1CNCCOC1 ZINC000643650962 384329459 /nfs/dbraw/zinc/32/94/59/384329459.db2.gz ZYXJWLMSWYBWOR-JTQLQIEISA-N 0 3 228.336 0.727 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H]1CO[C@@H](C)C1 ZINC000401955182 384332223 /nfs/dbraw/zinc/33/22/23/384332223.db2.gz YJOLFWMEZFDEKK-XHNCKOQMSA-N 0 3 200.282 0.278 20 0 BCADHN C[C@]1(CNC(=O)[C@H](N)C2CCC2)CCCO1 ZINC000331591238 384393435 /nfs/dbraw/zinc/39/34/35/384393435.db2.gz MUTFGIIPSNQFIV-ZYHUDNBSSA-N 0 3 226.320 0.799 20 0 BCADHN COC(=O)c1ccc(CNCCCO)o1 ZINC000034981211 384393980 /nfs/dbraw/zinc/39/39/80/384393980.db2.gz RWWBNQQWADVPLQ-UHFFFAOYSA-N 0 3 213.233 0.538 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N1C[C@H](C)C[C@@H]1C ZINC000448017542 384395307 /nfs/dbraw/zinc/39/53/07/384395307.db2.gz WSYAOLYQUBWFOR-UTLUCORTSA-N 0 3 241.335 0.951 20 0 BCADHN CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)C[C@@H]1C ZINC000448017440 384395804 /nfs/dbraw/zinc/39/58/04/384395804.db2.gz WSYAOLYQUBWFOR-GUBZILKMSA-N 0 3 241.335 0.951 20 0 BCADHN C[C@@H]1C[C@H](O)CN1CCCN1CCCC1=O ZINC000530519334 384407236 /nfs/dbraw/zinc/40/72/36/384407236.db2.gz YOLFCUAHLNMISD-MNOVXSKESA-N 0 3 226.320 0.454 20 0 BCADHN C[C@]1(CN)CCN(c2nccn(C3CC3)c2=O)C1 ZINC000235736046 384410898 /nfs/dbraw/zinc/41/08/98/384410898.db2.gz LHNUBMIMTPWWKN-CYBMUJFWSA-N 0 3 248.330 0.753 20 0 BCADHN Cn1c(CCCNC(=O)CN)nc2ccccc21 ZINC000237861400 384413454 /nfs/dbraw/zinc/41/34/54/384413454.db2.gz AIFBPONWZRACNW-UHFFFAOYSA-N 0 3 246.314 0.581 20 0 BCADHN Cn1ccnc1CNC[C@@H]1CCC[C@H]1O ZINC000084230189 384380001 /nfs/dbraw/zinc/38/00/01/384380001.db2.gz SSXPDZFUJQYXQS-VHSXEESVSA-N 0 3 209.293 0.671 20 0 BCADHN CC1(C)CNCCN1C(=O)C[C@H]1CCOC1 ZINC000401375341 384382835 /nfs/dbraw/zinc/38/28/35/384382835.db2.gz XNRQRUDXIOODBZ-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN Cn1ncc2c1ncnc2NCCN1CCCC1 ZINC000014264725 384386817 /nfs/dbraw/zinc/38/68/17/384386817.db2.gz WVSSYQIYKOKCNU-UHFFFAOYSA-N 0 3 246.318 0.871 20 0 BCADHN C[C@H](NC(=O)[C@H](N)C1CCC1)[C@H]1CCCO1 ZINC000331552680 384390408 /nfs/dbraw/zinc/39/04/08/384390408.db2.gz HZLWYKFQAHFHEB-JMJZKYOTSA-N 0 3 226.320 0.798 20 0 BCADHN Cc1ccncc1CNCCOCCO ZINC000135436150 384444200 /nfs/dbraw/zinc/44/42/00/384444200.db2.gz JYBMKQPOKOFAAZ-UHFFFAOYSA-N 0 3 210.277 0.489 20 0 BCADHN CCCCNC(=O)CN1CC[C@H](C)[C@H]1CO ZINC000248993324 384446892 /nfs/dbraw/zinc/44/68/92/384446892.db2.gz XLPMGHRDQPYLMJ-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN CN1CC[C@H]2OCCN(c3cccnn3)[C@H]2C1 ZINC000556678096 384449103 /nfs/dbraw/zinc/44/91/03/384449103.db2.gz UVUFXMWMFLXHMU-WDEREUQCSA-N 0 3 234.303 0.386 20 0 BCADHN Cn1nc2c(cc1=O)CN(C[C@@H]1CCCO1)CC2 ZINC000078620122 384451285 /nfs/dbraw/zinc/45/12/85/384451285.db2.gz NQGZQLUTBYJZHO-NSHDSACASA-N 0 3 249.314 0.317 20 0 BCADHN CCN(C)CCNC(=O)c1cc[nH]c(=O)c1 ZINC000122044103 384452909 /nfs/dbraw/zinc/45/29/09/384452909.db2.gz PYBCPFSVYMUPML-UHFFFAOYSA-N 0 3 223.276 0.056 20 0 BCADHN Cc1nncn1CCNC(=O)[C@@H](N)CC(C)C ZINC000169231904 384454501 /nfs/dbraw/zinc/45/45/01/384454501.db2.gz IPZZMWXFYMMADE-JTQLQIEISA-N 0 3 239.323 0.076 20 0 BCADHN Cc1n[nH]cc1CN[C@H](CO)CC(F)F ZINC000309200176 384454956 /nfs/dbraw/zinc/45/49/56/384454956.db2.gz REELJAXIERDVBJ-QMMMGPOBSA-N 0 3 219.235 0.824 20 0 BCADHN C[C@@H]1C[C@H]1N1CCN(C(N)=O)C[C@@H](C)C1 ZINC000427178580 384455995 /nfs/dbraw/zinc/45/59/95/384455995.db2.gz MLSLFMYDMSJUFN-IVZWLZJFSA-N 0 3 211.309 0.727 20 0 BCADHN C[C@H](CN[C@H]1COC(C)(C)C1)S(C)(=O)=O ZINC000521372173 384427885 /nfs/dbraw/zinc/42/78/85/384427885.db2.gz ZRKKVDPJIRALRV-RKDXNWHRSA-N 0 3 235.349 0.577 20 0 BCADHN CC[C@@H]([NH3+])CNC(=O)c1ccccc1[O-] ZINC000082578671 384431941 /nfs/dbraw/zinc/43/19/41/384431941.db2.gz ORIYHZTWTBLFLH-MRVPVSSYSA-N 0 3 208.261 0.859 20 0 BCADHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(N)(=O)=O ZINC000076106106 384432119 /nfs/dbraw/zinc/43/21/19/384432119.db2.gz OQZGVEVRAHHXQL-OPRDCNLKSA-N 0 3 249.380 0.146 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCOC(C)(C)C1 ZINC000036232544 384437166 /nfs/dbraw/zinc/43/71/66/384437166.db2.gz OXSLHRBWZZRZII-SECBINFHSA-N 0 3 214.309 0.607 20 0 BCADHN COCCNCC(=O)NCCCCSC ZINC000158416501 384438674 /nfs/dbraw/zinc/43/86/74/384438674.db2.gz XAPVRMCCLMTWHO-UHFFFAOYSA-N 0 3 234.365 0.482 20 0 BCADHN CCN1CCN(CC[C@H]2CCNC2=O)[C@H](C)C1 ZINC000566423263 384438926 /nfs/dbraw/zinc/43/89/26/384438926.db2.gz COFQHIGWDMDHOU-VXGBXAGGSA-N 0 3 239.363 0.539 20 0 BCADHN CCn1cc(NC(=O)C2(N)CCC2)ccc1=O ZINC000147804265 384457287 /nfs/dbraw/zinc/45/72/87/384457287.db2.gz VXFPXPXWEOTKNK-UHFFFAOYSA-N 0 3 235.287 0.688 20 0 BCADHN Cc1c(CCC(=O)NCCN(C)C)cnn1C ZINC000121830085 384441644 /nfs/dbraw/zinc/44/16/44/384441644.db2.gz JXAYPBVZITXLSK-UHFFFAOYSA-N 0 3 238.335 0.339 20 0 BCADHN C[C@@H](NC[C@H](C)O)[C@@H](O)C(F)(F)F ZINC000647514977 384443777 /nfs/dbraw/zinc/44/37/77/384443777.db2.gz KKWFSFQKIBXOIF-KVQBGUIXSA-N 0 3 201.188 0.269 20 0 BCADHN CC[C@H](O)CN1CCN(C2CCOCC2)CC1 ZINC000175479501 384443801 /nfs/dbraw/zinc/44/38/01/384443801.db2.gz GFERDVSNIPHGDG-ZDUSSCGKSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@H](NCCCC(=O)N(C)C)c1ncc[nH]1 ZINC000278903064 384463042 /nfs/dbraw/zinc/46/30/42/384463042.db2.gz IXRNBVORDGZRJX-VIFPVBQESA-N 0 3 224.308 0.929 20 0 BCADHN C[C@H](CC(N)=O)N[C@H]1CCCc2c1cnn2C ZINC000135712237 384463064 /nfs/dbraw/zinc/46/30/64/384463064.db2.gz WPNZWPDXHGFJHR-SCZZXKLOSA-N 0 3 236.319 0.651 20 0 BCADHN CC[C@H]1CO[C@H](C)CN1C[C@@H](O)COC ZINC000225472439 384464850 /nfs/dbraw/zinc/46/48/50/384464850.db2.gz DWZNDKYLWNUVTG-OUAUKWLOSA-N 0 3 217.309 0.493 20 0 BCADHN CCNS(=O)(=O)[C@H]1CCN([C@H](C)CC)C1 ZINC000181162499 384465597 /nfs/dbraw/zinc/46/55/97/384465597.db2.gz NIADGSVPBUTIDP-ZJUUUORDSA-N 0 3 234.365 0.799 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000036999447 384466474 /nfs/dbraw/zinc/46/64/74/384466474.db2.gz CEUWCCDKYXCEHR-IUCAKERBSA-N 0 3 210.281 0.125 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCCN(C)CC1 ZINC000335662922 384474306 /nfs/dbraw/zinc/47/43/06/384474306.db2.gz LUNQJMKHUOGWLK-SNVBAGLBSA-N 0 3 225.336 0.291 20 0 BCADHN O[C@H]1COCCN(CCC[C@@H]2CCOC2)C1 ZINC000400563027 384475426 /nfs/dbraw/zinc/47/54/26/384475426.db2.gz SHUXNPWJJYFGIX-VXGBXAGGSA-N 0 3 229.320 0.496 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@H]1C[C@@H](OC)C1)N(C)C ZINC000561070148 384475806 /nfs/dbraw/zinc/47/58/06/384475806.db2.gz 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228.336 0.997 20 0 BCADHN C[C@H]1[C@H](CO)CCN1CC(=O)N1CCCCC1 ZINC000335812564 384500137 /nfs/dbraw/zinc/50/01/37/384500137.db2.gz OKDRMNZAIGKIAP-RYUDHWBXSA-N 0 3 240.347 0.702 20 0 BCADHN COc1ncncc1CNCCn1ccnc1C ZINC000647177222 384501724 /nfs/dbraw/zinc/50/17/24/384501724.db2.gz QHWGVYXEXNZRMJ-UHFFFAOYSA-N 0 3 247.302 0.780 20 0 BCADHN CCN(CC)C(=O)CNC(C)(C)C(C)(C)O ZINC000223245073 384502097 /nfs/dbraw/zinc/50/20/97/384502097.db2.gz BKXZJRVUZPQOOL-UHFFFAOYSA-N 0 3 230.352 0.994 20 0 BCADHN COC(=O)CCN1CC[C@@H](C)[C@H](O)C1 ZINC000299891232 384504293 /nfs/dbraw/zinc/50/42/93/384504293.db2.gz KKZBIFMBESVOIJ-RKDXNWHRSA-N 0 3 201.266 0.252 20 0 BCADHN COC(=O)[C@@](C)(O)CN(C(C)C)[C@H]1CCOC1 ZINC000361417770 384506255 /nfs/dbraw/zinc/50/62/55/384506255.db2.gz YNSZRVHXDVQVCE-JQWIXIFHSA-N 0 3 245.319 0.410 20 0 BCADHN CC(C)COC[C@H](O)CN1CC[C@@H](O)[C@H](C)C1 ZINC000249530963 384510097 /nfs/dbraw/zinc/51/00/97/384510097.db2.gz AWUOXKQETOGOMR-JHJVBQTASA-N 0 3 245.363 0.723 20 0 BCADHN 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ZINC000302657437 384545368 /nfs/dbraw/zinc/54/53/68/384545368.db2.gz XELAARCLLQXGGQ-VIFPVBQESA-N 0 3 236.323 0.293 20 0 BCADHN CC(C)[C@H](CNC(=O)CN)c1cccnc1 ZINC000236658219 384545524 /nfs/dbraw/zinc/54/55/24/384545524.db2.gz VYTILVZHPMQEBO-NSHDSACASA-N 0 3 221.304 0.896 20 0 BCADHN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000647335600 384547166 /nfs/dbraw/zinc/54/71/66/384547166.db2.gz TYDIHTHYYWQWMI-RKDXNWHRSA-N 0 3 243.332 0.486 20 0 BCADHN O=C(C[C@@H]1CSCCN1)N1CCSCC1 ZINC000085612809 384548297 /nfs/dbraw/zinc/54/82/97/384548297.db2.gz WHBXYTLPRLFJDV-SECBINFHSA-N 0 3 246.401 0.657 20 0 BCADHN CCOCC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000171109409 384548534 /nfs/dbraw/zinc/54/85/34/384548534.db2.gz CJRPIRYPIFPQDU-SECBINFHSA-N 0 3 214.309 0.622 20 0 BCADHN CCC1(CO)CCN(C(=O)CNC2CC2)CC1 ZINC000305854143 384551489 /nfs/dbraw/zinc/55/14/89/384551489.db2.gz VYBIASYBZUKBFZ-UHFFFAOYSA-N 0 3 240.347 0.750 20 0 BCADHN CC(C)(C)[C@@H](CCO)NCC(=O)N1CCCC1 ZINC000183668746 384551621 /nfs/dbraw/zinc/55/16/21/384551621.db2.gz WWVFHUKCBQXJAI-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN CC(C)n1nccc1CN[C@H]1CCC(=O)NC1 ZINC000354333762 384552119 /nfs/dbraw/zinc/55/21/19/384552119.db2.gz JXGBMXKYCNFTQY-JTQLQIEISA-N 0 3 236.319 0.832 20 0 BCADHN C[C@H](CNCC1(CO)CCC1)S(C)(=O)=O ZINC000647523543 384554797 /nfs/dbraw/zinc/55/47/97/384554797.db2.gz UIUKPZBDQOJYMG-SECBINFHSA-N 0 3 235.349 0.172 20 0 BCADHN OCC1(CNC[C@@H](O)C(F)(F)F)CCC1 ZINC000647523566 384555435 /nfs/dbraw/zinc/55/54/35/384555435.db2.gz VGBYSOBZXQRFFF-SSDOTTSWSA-N 0 3 227.226 0.662 20 0 BCADHN CN(C)CCNC(=O)CCc1nccs1 ZINC000049677650 384557653 /nfs/dbraw/zinc/55/76/53/384557653.db2.gz GXHKLBNWUJEQJA-UHFFFAOYSA-N 0 3 227.333 0.754 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N(C)C[C@H](C)O ZINC000428680535 384557833 /nfs/dbraw/zinc/55/78/33/384557833.db2.gz LONIOSRAYNEXFW-QWRGUYRKSA-N 0 3 228.336 0.700 20 0 BCADHN CCN(CCNC(=O)[C@H]1CCC(=O)C1)C1CC1 ZINC000516869140 384558019 /nfs/dbraw/zinc/55/80/19/384558019.db2.gz CCBJTMFFBWNNQA-JTQLQIEISA-N 0 3 238.331 0.956 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N(C)C[C@H](C)O ZINC000428680536 384558267 /nfs/dbraw/zinc/55/82/67/384558267.db2.gz LONIOSRAYNEXFW-WDEREUQCSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H](C(N)=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247982631 384561149 /nfs/dbraw/zinc/56/11/49/384561149.db2.gz NCNLMOFWYVHODY-SCVCMEIPSA-N 0 3 226.320 0.487 20 0 BCADHN COC[C@@H](O)CCNCc1ccnn1C(C)C ZINC000354583639 384563511 /nfs/dbraw/zinc/56/35/11/384563511.db2.gz JKEUIMDYITXQRI-LBPRGKRZSA-N 0 3 241.335 0.951 20 0 BCADHN CC1(C(=O)N[C@H]2CCN(C3CC3)C2)COC1 ZINC000253427521 384538622 /nfs/dbraw/zinc/53/86/22/384538622.db2.gz VLEGKBYIYSRBLC-VIFPVBQESA-N 0 3 224.304 0.376 20 0 BCADHN CNC(=O)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC000154004771 384574805 /nfs/dbraw/zinc/57/48/05/384574805.db2.gz WVLIAYQDKVOXBQ-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CO[C@H]1CCN(CCCN2CCCC2=O)C1 ZINC000530972745 384576173 /nfs/dbraw/zinc/57/61/73/384576173.db2.gz SVGMWSBNAJIVLX-NSHDSACASA-N 0 3 226.320 0.720 20 0 BCADHN CC(C)(N)C(=O)Nc1ccnc2ccnn21 ZINC000236809051 384576224 /nfs/dbraw/zinc/57/62/24/384576224.db2.gz HDIFPOTXNOWWPN-UHFFFAOYSA-N 0 3 219.248 0.405 20 0 BCADHN CC(C)OC[C@@H](O)CN[C@@H]1C=C[C@H](CO)C1 ZINC000647525947 384576665 /nfs/dbraw/zinc/57/66/65/384576665.db2.gz FMVXQPLFOWGPIJ-TUAOUCFPSA-N 0 3 229.320 0.299 20 0 BCADHN COCC1(NC(=O)C[C@H]2CSCCN2)CC1 ZINC000517922550 384578599 /nfs/dbraw/zinc/57/85/99/384578599.db2.gz XLQNAEFSMYMYFD-VIFPVBQESA-N 0 3 244.360 0.377 20 0 BCADHN CC(C)C[C@H](N)c1noc(C2(C)CNC2)n1 ZINC000517935365 384582046 /nfs/dbraw/zinc/58/20/46/384582046.db2.gz RPNLCCBZPDQPDJ-QMMMGPOBSA-N 0 3 224.308 0.976 20 0 BCADHN CO[C@H]1CCCN(C[C@H](O)COC(C)C)C1 ZINC000171206127 384565044 /nfs/dbraw/zinc/56/50/44/384565044.db2.gz QOHCSVNXBQDCNP-RYUDHWBXSA-N 0 3 231.336 0.883 20 0 BCADHN CO[C@@H](C)CCN[C@@H](C)CS(C)(=O)=O ZINC000336650408 384608915 /nfs/dbraw/zinc/60/89/15/384608915.db2.gz INYLZPHOCJSDPW-IUCAKERBSA-N 0 3 223.338 0.434 20 0 BCADHN 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CC[C@H](N)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000306733716 384670086 /nfs/dbraw/zinc/67/00/86/384670086.db2.gz NIKJVYJGHJCTPU-LURQLKTLSA-N 0 3 200.282 0.406 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)NCCNC(C)=O ZINC000104204030 384672636 /nfs/dbraw/zinc/67/26/36/384672636.db2.gz FYVGKIWUOHLVGW-LLVKDONJSA-N 0 3 241.335 0.113 20 0 BCADHN CC(C)NCC(=O)Nc1ccc2nncn2c1 ZINC000569624504 384672979 /nfs/dbraw/zinc/67/29/79/384672979.db2.gz XUISKXQSWNATLP-UHFFFAOYSA-N 0 3 233.275 0.666 20 0 BCADHN COC[C@H](C)N(C)CCN1CCOCC1 ZINC000171918441 384673143 /nfs/dbraw/zinc/67/31/43/384673143.db2.gz CKEUYRCLPJFOJH-NSHDSACASA-N 0 3 216.325 0.285 20 0 BCADHN Cc1cc(C(=O)NC[C@H]2CCN(C)C2)on1 ZINC000104189384 384673387 /nfs/dbraw/zinc/67/33/87/384673387.db2.gz OLQNKTGBNXRCBI-SECBINFHSA-N 0 3 223.276 0.665 20 0 BCADHN CC[C@H](NCC(=O)NC(N)=O)c1ccccc1 ZINC000051628084 384676598 /nfs/dbraw/zinc/67/65/98/384676598.db2.gz AFQITPIMKFHUNW-JTQLQIEISA-N 0 3 235.287 0.922 20 0 BCADHN CCN(CC(N)=O)C[C@@H]1CCSC1 ZINC000336653515 384634395 /nfs/dbraw/zinc/63/43/95/384634395.db2.gz MGSRHMSCGRKSNX-QMMMGPOBSA-N 0 3 202.323 0.547 20 0 BCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C1CC(=O)C1 ZINC000246958182 384637691 /nfs/dbraw/zinc/63/76/91/384637691.db2.gz HQXAOZMYLVTVJS-BXKDBHETSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1nnc[n-]1 ZINC000561309875 384642576 /nfs/dbraw/zinc/64/25/76/384642576.db2.gz YVQNESDWEMUMLM-RKDXNWHRSA-N 0 3 237.307 0.324 20 0 BCADHN C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)c1nnc[n-]1 ZINC000561309875 384642583 /nfs/dbraw/zinc/64/25/83/384642583.db2.gz YVQNESDWEMUMLM-RKDXNWHRSA-N 0 3 237.307 0.324 20 0 BCADHN C[C@@H](NC(=O)CN1CC[C@@H](C)C1)c1nc[nH]n1 ZINC000561309875 384642590 /nfs/dbraw/zinc/64/25/90/384642590.db2.gz YVQNESDWEMUMLM-RKDXNWHRSA-N 0 3 237.307 0.324 20 0 BCADHN OC[C@H]1C[C@@H](O)CN1[C@@H]1Cc2ccccc2[C@H]1O ZINC000184741294 384644206 /nfs/dbraw/zinc/64/42/06/384644206.db2.gz CWOKORWXDUSLDN-HBJVGIJOSA-N 0 3 249.310 0.072 20 0 BCADHN CC(=O)c1cnc(NC(=O)[C@H](C)N)s1 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/nfs/dbraw/zinc/66/25/49/384662549.db2.gz AOUJGRPHOQSEMH-ZJUUUORDSA-N 0 3 212.293 0.232 20 0 BCADHN COc1cc(C)nc(CNC[C@@H](C)O)c1 ZINC000125958710 384723257 /nfs/dbraw/zinc/72/32/57/384723257.db2.gz DMWMJICAJLAWOT-SECBINFHSA-N 0 3 210.277 0.869 20 0 BCADHN CCN(CCO)CCNC(=O)Nc1ccon1 ZINC000185470609 384725162 /nfs/dbraw/zinc/72/51/62/384725162.db2.gz FZLYGWOLHLMOLC-UHFFFAOYSA-N 0 3 242.279 0.110 20 0 BCADHN COC(=O)N1CC(N[C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000497175351 384678667 /nfs/dbraw/zinc/67/86/67/384678667.db2.gz DADDCNXFLXMEEC-QXFUBDJGSA-N 0 3 228.292 0.593 20 0 BCADHN Cn1cncc1CNCCCn1ccnc1 ZINC000082393780 384678952 /nfs/dbraw/zinc/67/89/52/384678952.db2.gz JJLOONHETYEIMC-UHFFFAOYSA-N 0 3 219.292 0.797 20 0 BCADHN O=S(=O)([N-]CC1CC[NH2+]CC1)c1ccco1 ZINC000647189125 384679838 /nfs/dbraw/zinc/67/98/38/384679838.db2.gz DBLMASDEPQNMLR-UHFFFAOYSA-N 0 3 244.316 0.558 20 0 BCADHN O=C1CC[C@@H](NCc2cnn3ccccc23)CN1 ZINC000104346787 384680499 /nfs/dbraw/zinc/68/04/99/384680499.db2.gz 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BCADHN C[C@@H](NC(=O)CN)c1ccc2c(c1)CCC(=O)N2 ZINC000082611914 384697090 /nfs/dbraw/zinc/69/70/90/384697090.db2.gz XNWKQPMWWSJDBE-MRVPVSSYSA-N 0 3 247.298 0.707 20 0 BCADHN C[C@@H](CC[NH3+])NC(=O)c1ccccc1[O-] ZINC000050378131 384698437 /nfs/dbraw/zinc/69/84/37/384698437.db2.gz LMFNPRQEDBPSCB-QMMMGPOBSA-N 0 3 208.261 0.859 20 0 BCADHN Cc1cc(CN[C@H]2CO[C@H](C)C2)n(C)n1 ZINC000335425911 384708656 /nfs/dbraw/zinc/70/86/56/384708656.db2.gz MSBJUTIHFUXILR-NXEZZACHSA-N 0 3 209.293 0.996 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@@H](CO)C1CC1 ZINC000309904337 384712217 /nfs/dbraw/zinc/71/22/17/384712217.db2.gz JKZGVPDHBWRLCG-KOLCDFICSA-N 0 3 249.376 0.418 20 0 BCADHN CCS(=O)(=O)CCCN[C@@H]1CO[C@H](C)C1 ZINC000402366290 384727649 /nfs/dbraw/zinc/72/76/49/384727649.db2.gz WZRSYVDXVBRXMZ-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN CC(C)COC[C@H](O)CN1CCCOCC1 ZINC000363502480 384718474 /nfs/dbraw/zinc/71/84/74/384718474.db2.gz NFFHTRUAWMHQJI-GFCCVEGCSA-N 0 3 231.336 0.742 20 0 BCADHN CC(C)COC[C@@H](O)CN1CCCOCC1 ZINC000363502481 384719390 /nfs/dbraw/zinc/71/93/90/384719390.db2.gz NFFHTRUAWMHQJI-LBPRGKRZSA-N 0 3 231.336 0.742 20 0 BCADHN CO[C@H](C)CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000487939165 533085174 /nfs/dbraw/zinc/08/51/74/533085174.db2.gz ASJLEPANACJFOF-NWDGAFQWSA-N 0 3 244.379 0.798 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1noc(C)n1 ZINC000125513904 384721712 /nfs/dbraw/zinc/72/17/12/384721712.db2.gz OMBWCYAVBJOKCQ-XCBNKYQSSA-N 0 3 240.307 0.710 20 0 BCADHN N[C@H](CC(F)F)C(=O)N1CCCCC1 ZINC000308521769 384774006 /nfs/dbraw/zinc/77/40/06/384774006.db2.gz YEVPNFPFGBWKCO-SSDOTTSWSA-N 0 3 206.236 0.981 20 0 BCADHN CS(=O)(=O)[C@@H]1CCC[C@H](NC2(CO)CC2)C1 ZINC000126436287 384775670 /nfs/dbraw/zinc/77/56/70/384775670.db2.gz FSTDFFROMPHMAC-VHSXEESVSA-N 0 3 247.360 0.457 20 0 BCADHN Cc1cc(CC(=O)N2CCN[C@@H](C)[C@H]2C)[nH]n1 ZINC000262739725 384776700 /nfs/dbraw/zinc/77/67/00/384776700.db2.gz DKGOECDIQZEMLJ-VHSXEESVSA-N 0 3 236.319 0.469 20 0 BCADHN C[C@H]1CN(C)CCN1C(=O)[C@H](N)C1CCC1 ZINC000335028462 384776831 /nfs/dbraw/zinc/77/68/31/384776831.db2.gz LEYFCGXRRUNIMB-GXSJLCMTSA-N 0 3 225.336 0.276 20 0 BCADHN CCN(C[C@@H](O)COC)C[C@@H]1CCCO1 ZINC000126426956 384777722 /nfs/dbraw/zinc/77/77/22/384777722.db2.gz OMMJZNYKEFJMRF-MNOVXSKESA-N 0 3 217.309 0.495 20 0 BCADHN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)C2CC2)C1 ZINC000247028330 384732720 /nfs/dbraw/zinc/73/27/20/384732720.db2.gz POAOEHZVODZBCE-MWLCHTKSSA-N 0 3 246.376 0.797 20 0 BCADHN COc1cc(N2CC[C@H](N3CC=CC3)C2)ncn1 ZINC000125649433 384738602 /nfs/dbraw/zinc/73/86/02/384738602.db2.gz UYWOFUFFZHBZSU-NSHDSACASA-N 0 3 246.314 0.936 20 0 BCADHN c1cncc(CNC[C@H]2COCCO2)c1 ZINC000037998089 384739119 /nfs/dbraw/zinc/73/91/19/384739119.db2.gz LWUVABGAKHAMMN-NSHDSACASA-N 0 3 208.261 0.587 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)no1 ZINC000083118302 384742094 /nfs/dbraw/zinc/74/20/94/384742094.db2.gz IGWOOHYXUTYWRT-SFYZADRCSA-N 0 3 223.276 0.805 20 0 BCADHN C[C@@H](C[NH3+])C(=O)[N-]OCc1ccccc1 ZINC000083116577 384742491 /nfs/dbraw/zinc/74/24/91/384742491.db2.gz DVWSFOIIUWMYCO-VIFPVBQESA-N 0 3 208.261 0.829 20 0 BCADHN Cc1cc(C(=O)N2C[C@H](C)NC[C@H]2C)[nH]n1 ZINC000083118179 384742732 /nfs/dbraw/zinc/74/27/32/384742732.db2.gz PZBZUXNYCOJQSE-DTWKUNHWSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1cc(C(=O)N2C[C@H](C)NC[C@H]2C)n[nH]1 ZINC000083118179 384742737 /nfs/dbraw/zinc/74/27/37/384742737.db2.gz PZBZUXNYCOJQSE-DTWKUNHWSA-N 0 3 222.292 0.541 20 0 BCADHN c1nnn2c1CN(CCN1CCCCC1)CC2 ZINC000521065140 384746312 /nfs/dbraw/zinc/74/63/12/384746312.db2.gz MBLBCQSUBUZNTE-UHFFFAOYSA-N 0 3 235.335 0.580 20 0 BCADHN CCOc1ccc(CNC(=O)CN)cc1 ZINC000057495371 384747637 /nfs/dbraw/zinc/74/76/37/384747637.db2.gz OXSWHQUFWAIOFL-UHFFFAOYSA-N 0 3 208.261 0.660 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@@]1(C)CCCO1 ZINC000087234286 384753173 /nfs/dbraw/zinc/75/31/73/384753173.db2.gz SHTCGRJCQJLBCJ-VHSXEESVSA-N 0 3 235.349 0.578 20 0 BCADHN CC[C@@H](NC(=O)C1(N)CCCCC1)C(=O)OC ZINC000236879059 384756963 /nfs/dbraw/zinc/75/69/63/384756963.db2.gz QRCWAYZMHRRINK-SECBINFHSA-N 0 3 242.319 0.716 20 0 BCADHN Cc1ccc([C@@H](N)C(=O)NCCN(C)C)cc1 ZINC000083362634 384764796 /nfs/dbraw/zinc/76/47/96/384764796.db2.gz VWGJRADMCUTLEQ-GFCCVEGCSA-N 0 3 235.331 0.673 20 0 BCADHN O=C1CC[C@@H](NCCF)[C@@H](C2CC2)N1 ZINC000308525049 384780936 /nfs/dbraw/zinc/78/09/36/384780936.db2.gz WTFVZXUOZWQGKY-PSASIEDQSA-N 0 3 200.257 0.603 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H]1CCC[C@H]1O ZINC000126061111 384768848 /nfs/dbraw/zinc/76/88/48/384768848.db2.gz UCCFILHHCLRBMV-CMPLNLGQSA-N 0 3 223.320 0.979 20 0 BCADHN Cc1csc([C@H]2COCCN2C(=O)CN)n1 ZINC000648157652 384771084 /nfs/dbraw/zinc/77/10/84/384771084.db2.gz DTFBZHXJRAFCMP-MRVPVSSYSA-N 0 3 241.316 0.310 20 0 BCADHN COC[C@H](O)CCN[C@@H]1CCCc2n[nH]cc21 ZINC000375809652 384815634 /nfs/dbraw/zinc/81/56/34/384815634.db2.gz UILOUKHQJRDYNB-MWLCHTKSSA-N 0 3 239.319 0.774 20 0 BCADHN C[C@@H](N)C(=O)NCc1nc2ccccc2n1C ZINC000083908949 384816388 /nfs/dbraw/zinc/81/63/88/384816388.db2.gz XJAMXSKLKNQWKN-MRVPVSSYSA-N 0 3 232.287 0.537 20 0 BCADHN NCC(=O)N1CCc2cccc(F)c2C1 ZINC000083917467 384818137 /nfs/dbraw/zinc/81/81/37/384818137.db2.gz DGVABRSLXXQBBL-UHFFFAOYSA-N 0 3 208.236 0.669 20 0 BCADHN COCCN(CCOCCO)C1CC1 ZINC000042519156 384819402 /nfs/dbraw/zinc/81/94/02/384819402.db2.gz ORMHJJQFRIDGPG-UHFFFAOYSA-N 0 3 203.282 0.106 20 0 BCADHN N[C@@H](C(=O)N[C@H]1CCCOCC1)C1CCC1 ZINC000335654583 384820276 /nfs/dbraw/zinc/82/02/76/384820276.db2.gz VJTFYQGSZHPNCP-WDEREUQCSA-N 0 3 226.320 0.799 20 0 BCADHN C[C@H](N)C(=O)NCCc1ccc(F)c(F)c1 ZINC000083941736 384820920 /nfs/dbraw/zinc/82/09/20/384820920.db2.gz KUHJZHYFRIDSIV-ZETCQYMHSA-N 0 3 228.242 0.971 20 0 BCADHN C[C@@H]1CN(CCC(C)(C)O)CCN1CCO ZINC000426461658 384824279 /nfs/dbraw/zinc/82/42/79/384824279.db2.gz QNFQBHLSPXWPIL-LLVKDONJSA-N 0 3 230.352 0.146 20 0 BCADHN Cn1nccc1CN1CCCC[C@H]1C(=N)NO ZINC000363775159 384825451 /nfs/dbraw/zinc/82/54/51/384825451.db2.gz GQYZELVIPYWPPX-JTQLQIEISA-N 0 3 237.307 0.731 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000644332998 384828117 /nfs/dbraw/zinc/82/81/17/384828117.db2.gz OYFLYTDRDOMBLH-LPEHRKFASA-N 0 3 227.308 0.119 20 0 BCADHN CO[C@H](C)CN[C@H](CO)[C@H]1CCCO1 ZINC000308584279 384828198 /nfs/dbraw/zinc/82/81/98/384828198.db2.gz HSOHSRLOAPLNLL-OPRDCNLKSA-N 0 3 203.282 0.151 20 0 BCADHN C[C@H](CC[NH+](C)C)NC(=O)c1cncc([O-])c1 ZINC000104422325 384829123 /nfs/dbraw/zinc/82/91/23/384829123.db2.gz NXVCYDGVCNSHTP-SECBINFHSA-N 0 3 237.303 0.857 20 0 BCADHN C[C@@H](O)CN1CCC(Nc2cccnn2)CC1 ZINC000174740062 384833241 /nfs/dbraw/zinc/83/32/41/384833241.db2.gz VQEBUSUALCHWCC-SNVBAGLBSA-N 0 3 236.319 0.734 20 0 BCADHN C[C@@H](N)C(=O)N1CC2(C[C@H]1C)CCOCC2 ZINC000648204022 384834421 /nfs/dbraw/zinc/83/44/21/384834421.db2.gz ORRSYAVBKAKJJY-NXEZZACHSA-N 0 3 226.320 0.751 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000335041500 384783028 /nfs/dbraw/zinc/78/30/28/384783028.db2.gz 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C[C@H]1CSC[C@H]1NCC(=O)N1CCC1 ZINC000308559301 384806622 /nfs/dbraw/zinc/80/66/22/384806622.db2.gz DEHNEANHVASUMT-DTWKUNHWSA-N 0 3 214.334 0.560 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCCOCC1CCC1 ZINC000648192531 384808964 /nfs/dbraw/zinc/80/89/64/384808964.db2.gz ONNSLPCUYISGTQ-LLVKDONJSA-N 0 3 240.347 0.917 20 0 BCADHN CCN(C)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644300634 384810881 /nfs/dbraw/zinc/81/08/81/384810881.db2.gz JDKIKOFQCWPHQO-NXEZZACHSA-N 0 3 211.309 0.694 20 0 BCADHN COCCNCC(=O)NC[C@H](C)CC(F)F ZINC000648194338 384812197 /nfs/dbraw/zinc/81/21/97/384812197.db2.gz ZMXDGEYQFDXEDQ-MRVPVSSYSA-N 0 3 238.278 0.630 20 0 BCADHN CNCC(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000083909485 384815008 /nfs/dbraw/zinc/81/50/08/384815008.db2.gz BDXBDBHZSBJDFV-UHFFFAOYSA-N 0 3 232.287 0.707 20 0 BCADHN Cc1ccc2nc(CNC(=O)[C@H](C)N)cn2c1 ZINC000083909203 384815293 /nfs/dbraw/zinc/81/52/93/384815293.db2.gz QLFGIBHREFXREO-VIFPVBQESA-N 0 3 232.287 0.606 20 0 BCADHN CNCC(=O)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000083913452 384815318 /nfs/dbraw/zinc/81/53/18/384815318.db2.gz HXFLYECSIMDQSD-LLVKDONJSA-N 0 3 248.330 0.386 20 0 BCADHN CC(C)[C@@H](N)C(=O)NC[C@H]1CCCCO1 ZINC000042823550 384874687 /nfs/dbraw/zinc/87/46/87/384874687.db2.gz DAXOSKLEYZHEGU-NXEZZACHSA-N 0 3 214.309 0.655 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H]1CCCCO1 ZINC000042823834 384876938 /nfs/dbraw/zinc/87/69/38/384876938.db2.gz FHURZMSSGHHYDA-BDAKNGLRSA-N 0 3 200.282 0.409 20 0 BCADHN COC(CN1CCC[C@H](c2nnc[nH]2)C1)OC ZINC000364032573 384878821 /nfs/dbraw/zinc/87/88/21/384878821.db2.gz YABFZHMTDBJCJB-VIFPVBQESA-N 0 3 240.307 0.603 20 0 BCADHN CCCC[C@@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000305956480 384879536 /nfs/dbraw/zinc/87/95/36/384879536.db2.gz DRMSBEHBUBSLAQ-NEPJUHHUSA-N 0 3 241.379 0.914 20 0 BCADHN CN(CCc1cnccn1)C(=O)[C@@H]1CCCCN1 ZINC000648161482 384882538 /nfs/dbraw/zinc/88/25/38/384882538.db2.gz BRVZJGNADYKBNY-LBPRGKRZSA-N 0 3 248.330 0.620 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1cc[nH]n1 ZINC000186794435 384885270 /nfs/dbraw/zinc/88/52/70/384885270.db2.gz UWQBCXUXTCUSME-UHFFFAOYSA-N 0 3 222.292 0.576 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1ccn[nH]1 ZINC000186794435 384885276 /nfs/dbraw/zinc/88/52/76/384885276.db2.gz UWQBCXUXTCUSME-UHFFFAOYSA-N 0 3 222.292 0.576 20 0 BCADHN COC[C@H](O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000126900140 384841738 /nfs/dbraw/zinc/84/17/38/384841738.db2.gz NXOJOFWONPGIFA-ZYHUDNBSSA-N 0 3 239.319 0.217 20 0 BCADHN COC(=O)c1coc(CNCC(C)(C)O)c1 ZINC000126917191 384843140 /nfs/dbraw/zinc/84/31/40/384843140.db2.gz AJXGUIUBSZOQLC-UHFFFAOYSA-N 0 3 227.260 0.927 20 0 BCADHN CC[C@H](O)CC(=O)NC[C@H]1CCCN1C ZINC000448974715 384844041 /nfs/dbraw/zinc/84/40/41/384844041.db2.gz CXOJLFMDRYZXMX-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN OC[C@H]1[C@@H]2CN(CCOCC3CCC3)C[C@H]12 ZINC000642709172 384848539 /nfs/dbraw/zinc/84/85/39/384848539.db2.gz HOELSVCETNHPBA-ITGUQSILSA-N 0 3 225.332 0.973 20 0 BCADHN N[C@H](C(=O)NC[C@H]1CCCC[C@@H]1O)C1CCC1 ZINC000331839036 384850250 /nfs/dbraw/zinc/85/02/50/384850250.db2.gz FZWZJMDHZXDJQV-WOPDTQHZSA-N 0 3 240.347 0.781 20 0 BCADHN CCSCCN(C)CCOCCO ZINC000301051959 384853543 /nfs/dbraw/zinc/85/35/43/384853543.db2.gz VERNCNZDIGYIBW-UHFFFAOYSA-N 0 3 207.339 0.680 20 0 BCADHN CCOC[C@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000370781676 384854210 /nfs/dbraw/zinc/85/42/10/384854210.db2.gz QFNAUHXIIDVROI-JQWIXIFHSA-N 0 3 244.310 0.573 20 0 BCADHN Cn1ccc(CNC[C@@H]2CCCOC2)n1 ZINC000112341961 384854192 /nfs/dbraw/zinc/85/41/92/384854192.db2.gz FZPZEGASWGJXNV-JTQLQIEISA-N 0 3 209.293 0.936 20 0 BCADHN CCC[C@](C)(N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000364036091 384888787 /nfs/dbraw/zinc/88/87/87/384888787.db2.gz JZWXMWWRPDGMPI-LOWVWBTDSA-N 0 3 239.363 0.857 20 0 BCADHN COC[C@H](O)CCNCc1scnc1C ZINC000127494959 384864655 /nfs/dbraw/zinc/86/46/55/384864655.db2.gz DMGUAMFKVNZQJO-SECBINFHSA-N 0 3 230.333 0.939 20 0 BCADHN Cn1nncc1CNC(C)(C)CN1CCCC1 ZINC000308614381 384865247 /nfs/dbraw/zinc/86/52/47/384865247.db2.gz 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ZINC000368591136 384890519 /nfs/dbraw/zinc/89/05/19/384890519.db2.gz LQICACSNLXWCJA-NXEZZACHSA-N 0 3 228.361 0.902 20 0 BCADHN CSCC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000368591138 384890863 /nfs/dbraw/zinc/89/08/63/384890863.db2.gz LQICACSNLXWCJA-VHSXEESVSA-N 0 3 228.361 0.902 20 0 BCADHN CCOC[C@H](C)N[C@H]1CC(=O)N(C)C1 ZINC000308650903 384893245 /nfs/dbraw/zinc/89/32/45/384893245.db2.gz KCEODTXJNCPQSE-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@H](N)C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000164000514 384895742 /nfs/dbraw/zinc/89/57/42/384895742.db2.gz SRLLWXZVYQDCRH-VIFPVBQESA-N 0 3 246.314 0.959 20 0 BCADHN O=S(=O)([N-]C[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000647201484 384898987 /nfs/dbraw/zinc/89/89/87/384898987.db2.gz PKOTZBJGNUUWCZ-SECBINFHSA-N 0 3 244.316 0.700 20 0 BCADHN COC[C@@H](O)CCNCc1c(C)n[nH]c1C ZINC000127493844 384904219 /nfs/dbraw/zinc/90/42/19/384904219.db2.gz IZLOIPBVAUWRHB-JTQLQIEISA-N 0 3 227.308 0.514 20 0 BCADHN O=C1NC[C@H](CN[C@H]2CCO[C@@H]2C2CC2)O1 ZINC000365192132 384908947 /nfs/dbraw/zinc/90/89/47/384908947.db2.gz VHMNXMZYEIWKFT-LPEHRKFASA-N 0 3 226.276 0.252 20 0 BCADHN CC(C)C[C@@H](N)c1noc([C@H]2CNCCO2)n1 ZINC000647129991 384909798 /nfs/dbraw/zinc/90/97/98/384909798.db2.gz USRWMAWSGSGXNS-RKDXNWHRSA-N 0 3 240.307 0.776 20 0 BCADHN C[C@H](N(C)CCNS(C)(=O)=O)C1(C)CC1 ZINC000177217482 384913918 /nfs/dbraw/zinc/91/39/18/384913918.db2.gz MJZCZIZYWJKWOE-VIFPVBQESA-N 0 3 234.365 0.656 20 0 BCADHN O[C@@H]1COC[C@H]1N1CCC(c2cc[nH]n2)CC1 ZINC000557336452 384915627 /nfs/dbraw/zinc/91/56/27/384915627.db2.gz SJUSYVZYSLLNPN-VXGBXAGGSA-N 0 3 237.303 0.349 20 0 BCADHN CCN(CCNC(=O)NCCCO)C1CC1 ZINC000102069317 384924335 /nfs/dbraw/zinc/92/43/35/384924335.db2.gz FZSXPIZSSYOFQW-UHFFFAOYSA-N 0 3 229.324 0.152 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H]1CO ZINC000427661467 384925645 /nfs/dbraw/zinc/92/56/45/384925645.db2.gz YRAXZDRLALAWDZ-SRVKXCTJSA-N 0 3 240.347 0.843 20 0 BCADHN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000156792924 384959604 /nfs/dbraw/zinc/95/96/04/384959604.db2.gz NMAQMIDWCWRREB-VHSXEESVSA-N 0 3 241.335 0.241 20 0 BCADHN CCC[C@H](C)NC(=O)[C@H](C)N1CCNCC1 ZINC000034939720 384930308 /nfs/dbraw/zinc/93/03/08/384930308.db2.gz VWKFYHTWPDJAFU-QWRGUYRKSA-N 0 3 227.352 0.585 20 0 BCADHN CN1C[C@H](CN[C@@H]2CCO[C@H]2C2CC2)OC1=O ZINC000497268455 384930910 /nfs/dbraw/zinc/93/09/10/384930910.db2.gz IJOAHFAVUOKGJC-AXFHLTTASA-N 0 3 240.303 0.594 20 0 BCADHN C[C@H](O)CNCc1cccc(C(=O)N(C)C)c1 ZINC000644519161 384932793 /nfs/dbraw/zinc/93/27/93/384932793.db2.gz CRYXDKZPDOYSHD-JTQLQIEISA-N 0 3 236.315 0.859 20 0 BCADHN CC(C)[N@H+](C)CCNC(=O)c1cncc([O-])c1 ZINC000109041358 384934323 /nfs/dbraw/zinc/93/43/23/384934323.db2.gz YNXSYBJEHORDSJ-UHFFFAOYSA-N 0 3 237.303 0.857 20 0 BCADHN CC(C)[N@@H+](C)CCNC(=O)c1cncc([O-])c1 ZINC000109041358 384934325 /nfs/dbraw/zinc/93/43/25/384934325.db2.gz YNXSYBJEHORDSJ-UHFFFAOYSA-N 0 3 237.303 0.857 20 0 BCADHN C[C@@H](O)CNCC(=O)N(C)Cc1ccccc1 ZINC000644525477 384935211 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HTVOCLGRECOFDM-VIFPVBQESA-N 0 3 237.390 0.906 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCCCOCC(F)(F)F ZINC000518361658 384981144 /nfs/dbraw/zinc/98/11/44/384981144.db2.gz QQVWFFIKESJXDJ-NKWVEPMBSA-N 0 3 240.225 0.419 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)CCC(=O)NC ZINC000226333739 384982185 /nfs/dbraw/zinc/98/21/85/384982185.db2.gz FVWHOVIZYSYAMF-LLVKDONJSA-N 0 3 229.324 0.098 20 0 BCADHN COC(=O)C(C)(C)CCN[C@@H]1CCNC1=O ZINC000336761404 384982526 /nfs/dbraw/zinc/98/25/26/384982526.db2.gz KHJFCNAEAUPHHL-MRVPVSSYSA-N 0 3 228.292 0.054 20 0 BCADHN CC(C)CNC(=O)CN[C@H]1COCC1(C)C ZINC000312985542 385021889 /nfs/dbraw/zinc/02/18/89/385021889.db2.gz ADUIHZBMWJYSJK-JTQLQIEISA-N 0 3 228.336 0.773 20 0 BCADHN CCC(CC)[C@H](O)CNC(=O)CNC ZINC000226347216 384986056 /nfs/dbraw/zinc/98/60/56/384986056.db2.gz ZJSXTVWCDRSKHI-SECBINFHSA-N 0 3 202.298 0.119 20 0 BCADHN CC[C@@H](O)CC(=O)NCCN1CC[C@H](C)C1 ZINC000556188641 384986383 /nfs/dbraw/zinc/98/63/83/384986383.db2.gz KSHBXHJFARAKFW-WDEREUQCSA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H](N)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000037008445 384986925 /nfs/dbraw/zinc/98/69/25/384986925.db2.gz LSDFQHSKMVWGDB-SNVBAGLBSA-N 0 3 248.330 0.514 20 0 BCADHN C[C@H](CC(N)=O)NCc1cccc(O)c1 ZINC000129339906 384990942 /nfs/dbraw/zinc/99/09/42/384990942.db2.gz VJPVIYOOUWPGEB-MRVPVSSYSA-N 0 3 208.261 0.746 20 0 BCADHN Cc1cnccc1CCN1CC(C)(C(N)=O)C1 ZINC000518369816 384992367 /nfs/dbraw/zinc/99/23/67/384992367.db2.gz AGYSTRXGNKHPFR-UHFFFAOYSA-N 0 3 233.315 0.740 20 0 BCADHN CO[C@@]1(CNCc2cccn2C)CCOC1 ZINC000156858631 384992830 /nfs/dbraw/zinc/99/28/30/384992830.db2.gz KWYODRWZZHXQER-GFCCVEGCSA-N 0 3 224.304 0.920 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCCc1cnn(C)c1 ZINC000128102710 384993032 /nfs/dbraw/zinc/99/30/32/384993032.db2.gz DCSGRBFZFPGHFU-KOLCDFICSA-N 0 3 238.335 0.452 20 0 BCADHN COc1ncncc1CNC[C@H]1CC[C@H](O)C1 ZINC000647205796 384993968 /nfs/dbraw/zinc/99/39/68/384993968.db2.gz SUYOUYXHUCUTBU-ONGXEEELSA-N 0 3 237.303 0.736 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCc1cnn(C)c1 ZINC000128120111 384996411 /nfs/dbraw/zinc/99/64/11/384996411.db2.gz BXEMALDSGYDSNH-NSHDSACASA-N 0 3 238.335 0.452 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1CCO[C@H]1C ZINC000647242303 384996935 /nfs/dbraw/zinc/99/69/35/384996935.db2.gz OPXSBIZRXWZXSF-SGIHWFKDSA-N 0 3 201.266 0.167 20 0 BCADHN Nc1ccccc1NC(=O)[C@@H]1CNCCOC1 ZINC000647622916 384997024 /nfs/dbraw/zinc/99/70/24/384997024.db2.gz CHCCFYLQNLVNDM-SECBINFHSA-N 0 3 235.287 0.443 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@@H]1CCO[C@@H]1C ZINC000647242305 384997850 /nfs/dbraw/zinc/99/78/50/384997850.db2.gz OPXSBIZRXWZXSF-ZYUZMQFOSA-N 0 3 201.266 0.167 20 0 BCADHN CC(C)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000306496563 385000904 /nfs/dbraw/zinc/00/09/04/385000904.db2.gz DXZRVWOWCVMQGP-QMMMGPOBSA-N 0 3 206.311 0.148 20 0 BCADHN CCN(CCO)Cc1cccc(C(N)=O)c1 ZINC000029841398 385005781 /nfs/dbraw/zinc/00/57/81/385005781.db2.gz LVTHFJLLNBSOOA-UHFFFAOYSA-N 0 3 222.288 0.600 20 0 BCADHN N[C@H](CC(F)F)C(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000310362307 385011551 /nfs/dbraw/zinc/01/15/51/385011551.db2.gz KQJVESVMJJVROK-IWSPIJDZSA-N 0 3 248.273 0.749 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCOCC2(CC2)C1 ZINC000408182805 385023053 /nfs/dbraw/zinc/02/30/53/385023053.db2.gz MLMLGUDXVSOEFX-NSHDSACASA-N 0 3 243.303 0.023 20 0 BCADHN COC[C@H](CNCc1ccns1)OC ZINC000404468406 385013119 /nfs/dbraw/zinc/01/31/19/385013119.db2.gz VSJZJYNLGNGRKY-QMMMGPOBSA-N 0 3 216.306 0.894 20 0 BCADHN COCCNCCNC(=O)[C@@H]1CC12CC2 ZINC000646905197 385013990 /nfs/dbraw/zinc/01/39/90/385013990.db2.gz QZXCCZUDHAZJMZ-VIFPVBQESA-N 0 3 212.293 0.139 20 0 BCADHN COC[C@H](C)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000300863958 385015200 /nfs/dbraw/zinc/01/52/00/385015200.db2.gz KYISVLUPFNJBFB-HBNTYKKESA-N 0 3 226.320 0.764 20 0 BCADHN COC(=O)C1CCN(C[C@H](O)C(C)C)CC1 ZINC000300873860 385017618 /nfs/dbraw/zinc/01/76/18/385017618.db2.gz LISQOZRVCGSPQA-NSHDSACASA-N 0 3 229.320 0.888 20 0 BCADHN C[C@@H](CN(C)C)NCc1csnn1 ZINC000130069171 385019919 /nfs/dbraw/zinc/01/99/19/385019919.db2.gz VEYDECBZCUGAFS-ZETCQYMHSA-N 0 3 200.311 0.578 20 0 BCADHN CCN(CCNS(C)(=O)=O)[C@@H](C)C(C)C ZINC000107367746 384964628 /nfs/dbraw/zinc/96/46/28/384964628.db2.gz HDGBBCYLWSLZPH-JTQLQIEISA-N 0 3 236.381 0.902 20 0 BCADHN Cc1nnc(NC(=O)C[C@H]2CNCCO2)s1 ZINC000150699642 385047524 /nfs/dbraw/zinc/04/75/24/385047524.db2.gz HYPJNWQVYRBYJG-ZETCQYMHSA-N 0 3 242.304 0.164 20 0 BCADHN CCOCC[C@H](O)CNCc1cc(C)nn1C ZINC000644642312 385047675 /nfs/dbraw/zinc/04/76/75/385047675.db2.gz FFJOGFAEXZCSNE-LBPRGKRZSA-N 0 3 241.335 0.606 20 0 BCADHN Cc1nnc(NC(=O)C[C@@H]2CNCCO2)s1 ZINC000150699640 385048660 /nfs/dbraw/zinc/04/86/60/385048660.db2.gz HYPJNWQVYRBYJG-SSDOTTSWSA-N 0 3 242.304 0.164 20 0 BCADHN Cc1cn[nH]c1CNC[C@@H](O)C(F)F ZINC000308740808 385049017 /nfs/dbraw/zinc/04/90/17/385049017.db2.gz OPBUYUHRSMOZNL-SSDOTTSWSA-N 0 3 205.208 0.434 20 0 BCADHN C[C@H](N[C@H]1CCOC1(C)C)C(=O)NCCF ZINC000340380123 385050378 /nfs/dbraw/zinc/05/03/78/385050378.db2.gz FLIRMAIHCLJGGQ-IUCAKERBSA-N 0 3 232.299 0.618 20 0 BCADHN Cc1cn[nH]c1CNC[C@H](O)C(F)F ZINC000308740809 385050805 /nfs/dbraw/zinc/05/08/05/385050805.db2.gz OPBUYUHRSMOZNL-ZETCQYMHSA-N 0 3 205.208 0.434 20 0 BCADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000177569582 385051121 /nfs/dbraw/zinc/05/11/21/385051121.db2.gz ZMTFDJRCJYGTIS-LPEHRKFASA-N 0 3 239.319 0.692 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000177569621 385052826 /nfs/dbraw/zinc/05/28/26/385052826.db2.gz ZMTFDJRCJYGTIS-OPRDCNLKSA-N 0 3 239.319 0.692 20 0 BCADHN CCOCC[C@@H](O)CNCc1cncn1C ZINC000644649533 385055881 /nfs/dbraw/zinc/05/58/81/385055881.db2.gz ZFOPMTSUQLFTCX-LLVKDONJSA-N 0 3 227.308 0.297 20 0 BCADHN CCC[C@@](C)(N)C(=O)N1CCN(CC)CC1 ZINC000037481280 385056124 /nfs/dbraw/zinc/05/61/24/385056124.db2.gz ZBXJMQJWFIXYKR-GFCCVEGCSA-N 0 3 227.352 0.668 20 0 BCADHN CC[C@](C)(OC)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646916370 385057375 /nfs/dbraw/zinc/05/73/75/385057375.db2.gz GTXMJRUYBRMYIH-LOWVWBTDSA-N 0 3 240.347 0.964 20 0 BCADHN Cn1cncc1CC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646917061 385057688 /nfs/dbraw/zinc/05/76/88/385057688.db2.gz WKHLLVBLRHAPJR-CMPLNLGQSA-N 0 3 248.330 0.125 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)[C@@]3(C)CCOC3)[C@@H]2C1 ZINC000646916324 385058585 /nfs/dbraw/zinc/05/85/85/385058585.db2.gz FYIAJYJYIHIUCN-LOWVWBTDSA-N 0 3 238.331 0.576 20 0 BCADHN Cc1nc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)co1 ZINC000646922024 385062010 /nfs/dbraw/zinc/06/20/10/385062010.db2.gz ICGLVUNDZXTRQT-KOLCDFICSA-N 0 3 235.287 0.759 20 0 BCADHN CN1C[C@H]2CCN(C(=O)C3(O)CCCC3)[C@H]2C1 ZINC000646919782 385062516 /nfs/dbraw/zinc/06/25/16/385062516.db2.gz KURMVAOEMQUKPV-MNOVXSKESA-N 0 3 238.331 0.454 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)C2(C)COC2)C1 ZINC000646915124 385070005 /nfs/dbraw/zinc/07/00/05/385070005.db2.gz KEYZFVVYZZFESY-UWVGGRQHSA-N 0 3 224.304 0.185 20 0 BCADHN CCN(CC)CC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646941369 385070270 /nfs/dbraw/zinc/07/02/70/385070270.db2.gz YMXAJBGGFIXGSS-VXGBXAGGSA-N 0 3 239.363 0.491 20 0 BCADHN CCC[C@](C)(O)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646941245 385070569 /nfs/dbraw/zinc/07/05/69/385070569.db2.gz WMICIGMKHOAPMZ-LOWVWBTDSA-N 0 3 240.347 0.700 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)[nH]n1 ZINC000646915313 385071920 /nfs/dbraw/zinc/07/19/20/385071920.db2.gz OCLSLNIAMBFHJJ-GXSJLCMTSA-N 0 3 234.303 0.494 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)n[nH]1 ZINC000646915313 385071929 /nfs/dbraw/zinc/07/19/29/385071929.db2.gz OCLSLNIAMBFHJJ-GXSJLCMTSA-N 0 3 234.303 0.494 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000060237266 385072349 /nfs/dbraw/zinc/07/23/49/385072349.db2.gz OWAPSPDGIPKOHR-RKDXNWHRSA-N 0 3 235.287 0.477 20 0 BCADHN CN1C[C@H]2CCN(C(=O)Cc3ccon3)[C@@H]2C1 ZINC000646927363 385072772 /nfs/dbraw/zinc/07/27/72/385072772.db2.gz JCHSIMPPXLYDQJ-MWLCHTKSSA-N 0 3 235.287 0.380 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cn[nH]c3)[C@H]2C1 ZINC000646930279 385073496 /nfs/dbraw/zinc/07/34/96/385073496.db2.gz BEJHHWJCPQSDHN-SCZZXKLOSA-N 0 3 220.276 0.186 20 0 BCADHN CC(C)(C)NC(=O)CN1CCC[C@H](CO)CC1 ZINC000332064560 385074363 /nfs/dbraw/zinc/07/43/63/385074363.db2.gz ZXAHXOLFWFZBOA-NSHDSACASA-N 0 3 242.363 0.996 20 0 BCADHN CSCCN1CCC[C@@H]1CS(N)(=O)=O ZINC000407947333 385076655 /nfs/dbraw/zinc/07/66/55/385076655.db2.gz DSFGNRYQTMZAGL-MRVPVSSYSA-N 0 3 238.378 0.102 20 0 BCADHN C[C@@H](CO)N(C)C(=O)CC1CCN(C)CC1 ZINC000362967454 385077080 /nfs/dbraw/zinc/07/70/80/385077080.db2.gz RHSLVNZHCVWJDS-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN CSCCN1CCC(S(N)(=O)=O)CC1 ZINC000407947463 385078146 /nfs/dbraw/zinc/07/81/46/385078146.db2.gz QAKVRCFIIJVCKO-UHFFFAOYSA-N 0 3 238.378 0.102 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H](O)CC(C)(C)C1 ZINC000336234803 385080320 /nfs/dbraw/zinc/08/03/20/385080320.db2.gz ICYRLODWPUGTCD-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CCOCCC(=O)NC[C@H]1CCCN(C)C1 ZINC000108341903 385031069 /nfs/dbraw/zinc/03/10/69/385031069.db2.gz JVAKNYPKRSQFIZ-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CN(C)CCN(C)C(=O)Cc1cncs1 ZINC000188266740 385032338 /nfs/dbraw/zinc/03/23/38/385032338.db2.gz QCELICAHAHGLDL-UHFFFAOYSA-N 0 3 227.333 0.706 20 0 BCADHN CC[C@@H](N)C(=O)NCCCCSC ZINC000119188182 385032901 /nfs/dbraw/zinc/03/29/01/385032901.db2.gz KXBLFRAMGKQTGH-MRVPVSSYSA-N 0 3 204.339 0.983 20 0 BCADHN Cc1ccc(CNC[C@@H](C)O)c(=O)n1C ZINC000644634032 385034456 /nfs/dbraw/zinc/03/44/56/385034456.db2.gz QOROFAKRCZORTQ-SECBINFHSA-N 0 3 210.277 0.164 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@]1(C)CCOC1 ZINC000119136336 385035666 /nfs/dbraw/zinc/03/56/66/385035666.db2.gz PLRVVPLCIUHAGX-WPRPVWTQSA-N 0 3 200.282 0.409 20 0 BCADHN CC[C@@H](O)CNCc1ccc(NC(C)=O)nc1 ZINC000644634317 385037050 /nfs/dbraw/zinc/03/70/50/385037050.db2.gz LLPXQQMWVIXSDE-LLVKDONJSA-N 0 3 237.303 0.901 20 0 BCADHN Cc1ccc(CN[C@H]2CO[C@H](C)C2)c(=O)n1C ZINC000647206948 385039090 /nfs/dbraw/zinc/03/90/90/385039090.db2.gz NFAFCXSWPLXNJE-ZYHUDNBSSA-N 0 3 236.315 0.961 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000334144842 385040667 /nfs/dbraw/zinc/04/06/67/385040667.db2.gz IUZSKXIPPIDYNB-PHIMTYICSA-N 0 3 226.320 0.716 20 0 BCADHN CC(C)[C@H](O)CN(C)[C@H](C)C[S@](C)=O ZINC000340244110 385042191 /nfs/dbraw/zinc/04/21/91/385042191.db2.gz DMPQLPGUWLLNHT-RULNRJAQSA-N 0 3 221.366 0.702 20 0 BCADHN CC[C@@H]1CN(C)CCN1C(=O)[C@H](C)N(C)C ZINC000647459879 385043714 /nfs/dbraw/zinc/04/37/14/385043714.db2.gz WEHDTCVZKKMYTQ-WDEREUQCSA-N 0 3 227.352 0.489 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000557664285 385085171 /nfs/dbraw/zinc/08/51/71/385085171.db2.gz QGXWBVDOXGMJHI-WCQYABFASA-N 0 3 240.347 0.702 20 0 BCADHN CO[C@H](CN)c1nc(-c2ccncc2)no1 ZINC000227297310 385112577 /nfs/dbraw/zinc/11/25/77/385112577.db2.gz LNLBXSCTYVIQLP-MRVPVSSYSA-N 0 3 220.232 0.778 20 0 BCADHN CN(CCc1cccs1)[C@H]1COC[C@H]1O ZINC000308796690 385114278 /nfs/dbraw/zinc/11/42/78/385114278.db2.gz KOUKCJYUWNEORF-WDEREUQCSA-N 0 3 227.329 0.982 20 0 BCADHN Cc1noc([C@@H]2CCN(CC(C)(C)O)C2)n1 ZINC000408046602 385114514 /nfs/dbraw/zinc/11/45/14/385114514.db2.gz MEHGYWDGARJMIK-SECBINFHSA-N 0 3 225.292 0.938 20 0 BCADHN CC[C@@H](O)CC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000648292968 385116170 /nfs/dbraw/zinc/11/61/70/385116170.db2.gz DDNHWECWQLOIQF-NWDGAFQWSA-N 0 3 240.347 0.748 20 0 BCADHN CCN1CCN(CCc2cn(C)nn2)[C@@H](C)C1 ZINC000625425222 385119603 /nfs/dbraw/zinc/11/96/03/385119603.db2.gz NFTACDCTRIAZRE-NSHDSACASA-N 0 3 237.351 0.384 20 0 BCADHN CCOC[C@H]1CCN([C@H](C)C(N)=O)C1 ZINC000246191859 385120053 /nfs/dbraw/zinc/12/00/53/385120053.db2.gz LRQOWOFKGIBNKU-BDAKNGLRSA-N 0 3 200.282 0.219 20 0 BCADHN CC(C)C(=O)NC1CCN(C[C@H](C)O)CC1 ZINC000407953774 385121920 /nfs/dbraw/zinc/12/19/20/385121920.db2.gz DACMUBCBFHWXSI-JTQLQIEISA-N 0 3 228.336 0.604 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000227358359 385122702 /nfs/dbraw/zinc/12/27/02/385122702.db2.gz MZAVARGYRNFPFN-NSHDSACASA-N 0 3 248.286 0.784 20 0 BCADHN COC(=O)CNC(=O)[C@@H](CN)c1ccccc1 ZINC000061611862 385125568 /nfs/dbraw/zinc/12/55/68/385125568.db2.gz VJONBGUCATVXMK-JTQLQIEISA-N 0 3 236.271 0.018 20 0 BCADHN CCOC[C@@H]1CCN([C@H](CC)C(N)=O)C1 ZINC000246201690 385127035 /nfs/dbraw/zinc/12/70/35/385127035.db2.gz MTEBLEYYLDQOIF-NXEZZACHSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@@H]1CCN(CCNS(=O)(=O)CC2CC2)C1 ZINC000530880077 385128876 /nfs/dbraw/zinc/12/88/76/385128876.db2.gz MPWSTPKCFYEFNP-SNVBAGLBSA-N 0 3 246.376 0.658 20 0 BCADHN OC[C@H]1[C@@H]2CN(C[C@@H](O)CC(F)(F)F)C[C@H]12 ZINC000644714152 385129096 /nfs/dbraw/zinc/12/90/96/385129096.db2.gz DNVFCIYYULMMAD-RBXMUDONSA-N 0 3 239.237 0.470 20 0 BCADHN CC(=O)NCCCN(C)C[C@@H]1CCCO1 ZINC000119707542 385142324 /nfs/dbraw/zinc/14/23/24/385142324.db2.gz XBDIJZXJDKZYSS-NSHDSACASA-N 0 3 214.309 0.623 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1ccc(F)cc1 ZINC000227350271 385130581 /nfs/dbraw/zinc/13/05/81/385130581.db2.gz RGSGUFGSHCRWFX-LLVKDONJSA-N 0 3 240.278 0.758 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)Cc1ccc(F)cc1 ZINC000227350264 385130788 /nfs/dbraw/zinc/13/07/88/385130788.db2.gz RGSGUFGSHCRWFX-NSHDSACASA-N 0 3 240.278 0.758 20 0 BCADHN CO[C@H](CN)C(=O)N(C)Cc1scnc1C ZINC000227384651 385132859 /nfs/dbraw/zinc/13/28/59/385132859.db2.gz IMCPSDKIUQSLLN-MRVPVSSYSA-N 0 3 243.332 0.384 20 0 BCADHN Cn1cc(CCN2C[C@H]3[C@H](CO)[C@H]3C2)cn1 ZINC000644715357 385133016 /nfs/dbraw/zinc/13/30/16/385133016.db2.gz PYNACEJPFKGUKM-GDNZZTSVSA-N 0 3 221.304 0.133 20 0 BCADHN C[C@@H]1[C@@H](C(=O)NCCN(C)C)C1(F)F ZINC000359263822 385134250 /nfs/dbraw/zinc/13/42/50/385134250.db2.gz CSRFUNTXBUUXNB-RQJHMYQMSA-N 0 3 206.236 0.565 20 0 BCADHN C[C@H]1[C@@H](C(=O)NCCN(C)C)C1(F)F ZINC000359263795 385134413 /nfs/dbraw/zinc/13/44/13/385134413.db2.gz CSRFUNTXBUUXNB-BQBZGAKWSA-N 0 3 206.236 0.565 20 0 BCADHN COCC(C)(C)N(C)CCN1C(=O)CCC1=O ZINC000644782702 385134698 /nfs/dbraw/zinc/13/46/98/385134698.db2.gz JEECQHSDVHWOLQ-UHFFFAOYSA-N 0 3 242.319 0.492 20 0 BCADHN CO[C@H](CN)C(=O)NCCOC1CCCCC1 ZINC000227384583 385134747 /nfs/dbraw/zinc/13/47/47/385134747.db2.gz MWBRGYSUZBMTNW-LLVKDONJSA-N 0 3 244.335 0.426 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C)[C@H]1C ZINC000177890908 385136575 /nfs/dbraw/zinc/13/65/75/385136575.db2.gz XZRVCUVZHYGJEB-HLTSFMKQSA-N 0 3 227.308 0.561 20 0 BCADHN O=C(CC[C@H]1CCCO1)NC[C@@H]1CNCCO1 ZINC000087209821 385086405 /nfs/dbraw/zinc/08/64/05/385086405.db2.gz UXAUBAGIXBWIEF-MNOVXSKESA-N 0 3 242.319 0.050 20 0 BCADHN C[C@H](NC[C@]1(O)CCOC1)c1cncs1 ZINC000131489472 385088469 /nfs/dbraw/zinc/08/84/69/385088469.db2.gz LTDRTRSRFSKSGO-WCBMZHEXSA-N 0 3 228.317 0.945 20 0 BCADHN COC1(C(=O)N(C)[C@H]2CCN(C3CC3)C2)CC1 ZINC000648284993 385088968 /nfs/dbraw/zinc/08/89/68/385088968.db2.gz WSIORTOPWZIDRC-NSHDSACASA-N 0 3 238.331 0.861 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCOC1)c1cncs1 ZINC000131490133 385090802 /nfs/dbraw/zinc/09/08/02/385090802.db2.gz LTDRTRSRFSKSGO-SCZZXKLOSA-N 0 3 228.317 0.945 20 0 BCADHN CN1CCC(C(=O)NCc2cc[nH]n2)CC1 ZINC000530811318 385091162 /nfs/dbraw/zinc/09/11/62/385091162.db2.gz NRFQWQQQKKMJIC-UHFFFAOYSA-N 0 3 222.292 0.368 20 0 BCADHN CC(C)CC[C@@H](O)CN[C@@H](C)C(=O)N(C)C ZINC000564854865 385092063 /nfs/dbraw/zinc/09/20/63/385092063.db2.gz PHLXOTDBLPBAHK-WDEREUQCSA-N 0 3 230.352 0.850 20 0 BCADHN C[C@@H](CO[C@H]1CCOC1)NCc1cncn1C ZINC000151243766 385097046 /nfs/dbraw/zinc/09/70/46/385097046.db2.gz DRIJEHBDGKZLAI-JQWIXIFHSA-N 0 3 239.319 0.704 20 0 BCADHN CNC(=O)CN[C@@H](CO)[C@@H](C)c1ccccc1 ZINC000644684388 385099029 /nfs/dbraw/zinc/09/90/29/385099029.db2.gz HLXIUPOTNKTRIS-JQWIXIFHSA-N 0 3 236.315 0.487 20 0 BCADHN CCN(C)CCNC(=O)c1ccc(C=O)[nH]1 ZINC000176494382 385102102 /nfs/dbraw/zinc/10/21/02/385102102.db2.gz DKPKJMFUAOVTOG-UHFFFAOYSA-N 0 3 223.276 0.509 20 0 BCADHN CC[C@H]1CN(CC(=O)N(CC)CC)C[C@@H]1O ZINC000341020335 385103666 /nfs/dbraw/zinc/10/36/66/385103666.db2.gz RBSWEYXMRFMLTM-QWRGUYRKSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H](F)CCN1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000334154629 385103732 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/nfs/dbraw/zinc/20/17/55/385201755.db2.gz ANIYNODELARMRN-NSHDSACASA-N 0 3 222.288 0.446 20 0 BCADHN C[C@H]1COCCN1C(=O)[C@@H](N)CC(F)F ZINC000308833313 385201948 /nfs/dbraw/zinc/20/19/48/385201948.db2.gz KFKVWUGQOKBZTG-BQBZGAKWSA-N 0 3 222.235 0.216 20 0 BCADHN Cc1noc(CN2CC[C@@H]3CN(C)C[C@@H]32)n1 ZINC000644728424 385190396 /nfs/dbraw/zinc/19/03/96/385190396.db2.gz GIPAINPROAWLHC-ZJUUUORDSA-N 0 3 222.292 0.514 20 0 BCADHN Cn1cc(CN2CC[C@@H]3CN(C)C[C@H]32)cn1 ZINC000644728281 385194428 /nfs/dbraw/zinc/19/44/28/385194428.db2.gz GYJFXEQLJRQILK-VXGBXAGGSA-N 0 3 220.320 0.556 20 0 BCADHN CC(=O)c1ccc(C(=O)NC[C@H](C)[NH3+])cc1[O-] ZINC000647020810 385148356 /nfs/dbraw/zinc/14/83/56/385148356.db2.gz NERIRWZSVPBMKQ-ZETCQYMHSA-N 0 3 236.271 0.672 20 0 BCADHN C[C@@H]1CCCN1C(=O)[C@@]1(F)CCNC1 ZINC000157339063 385150426 /nfs/dbraw/zinc/15/04/26/385150426.db2.gz OZGGMDNKNCXHKO-PSASIEDQSA-N 0 3 200.257 0.699 20 0 BCADHN CO[C@@H](C)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000336355659 385152640 /nfs/dbraw/zinc/15/26/40/385152640.db2.gz FQFOQFMLWBCNFY-AAEUAGOBSA-N 0 3 240.347 0.966 20 0 BCADHN OC[C@@]1(O)CCCN(Cc2cccc(O)c2)C1 ZINC000313626428 385156450 /nfs/dbraw/zinc/15/64/50/385156450.db2.gz AECWEJGFRUJDIS-CYBMUJFWSA-N 0 3 237.299 0.711 20 0 BCADHN Cn1ccnc1CNCCN1CC=CCC1 ZINC000279626638 385157513 /nfs/dbraw/zinc/15/75/13/385157513.db2.gz BITWHGITHHAKMY-UHFFFAOYSA-N 0 3 220.320 0.772 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1CC12CC2 ZINC000424312921 385157975 /nfs/dbraw/zinc/15/79/75/385157975.db2.gz ACOHSUUELLJFSN-IUCAKERBSA-N 0 3 217.334 0.952 20 0 BCADHN CN(CCO)C[C@](C)(O)c1ccccc1 ZINC000052097044 385158338 /nfs/dbraw/zinc/15/83/38/385158338.db2.gz HAUYBPFOONDCOQ-LBPRGKRZSA-N 0 3 209.289 0.818 20 0 BCADHN Cc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)ncn1 ZINC000518787515 385159061 /nfs/dbraw/zinc/15/90/61/385159061.db2.gz HMPMCRWUMNTSHW-UWVGGRQHSA-N 0 3 234.303 0.607 20 0 BCADHN CC(C)(CNC(=O)[C@@]1(C)CCCCN1)C(N)=O ZINC000227694454 385200606 /nfs/dbraw/zinc/20/06/06/385200606.db2.gz GKHGCUKMAFYYBT-GFCCVEGCSA-N 0 3 241.335 0.146 20 0 BCADHN CCN(CC(=O)Nc1n[nH]c(C)n1)C1CC1 ZINC000152174036 385162474 /nfs/dbraw/zinc/16/24/74/385162474.db2.gz MFXFHEJCTQCYSH-UHFFFAOYSA-N 0 3 223.280 0.536 20 0 BCADHN Cn1nncc1CNCCN1CC=CCC1 ZINC000279671223 385166661 /nfs/dbraw/zinc/16/66/61/385166661.db2.gz HUFZSJWWJGGNOD-UHFFFAOYSA-N 0 3 221.308 0.167 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cnn(C)c2)CN1C1CC1 ZINC000177043350 385169340 /nfs/dbraw/zinc/16/93/40/385169340.db2.gz RHWYAKZMHZZTKK-MWLCHTKSSA-N 0 3 248.330 0.775 20 0 BCADHN CN(CCO)C[C@H](O)c1ccc(F)cc1 ZINC000062350588 385171003 /nfs/dbraw/zinc/17/10/03/385171003.db2.gz HQLDHXYFLNZSRO-NSHDSACASA-N 0 3 213.252 0.783 20 0 BCADHN CCN(C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000557817707 385173179 /nfs/dbraw/zinc/17/31/79/385173179.db2.gz QNDFBUTVXFMYTO-SNVBAGLBSA-N 0 3 213.325 0.990 20 0 BCADHN CN(C)C[C@@H]1CN(Cc2cncn2C)CCO1 ZINC000177059060 385175024 /nfs/dbraw/zinc/17/50/24/385175024.db2.gz LFAXWTBYZOYDSZ-GFCCVEGCSA-N 0 3 238.335 0.183 20 0 BCADHN COC[C@H](O)CN[C@H](C)c1cncc(F)c1 ZINC000129691830 385176054 /nfs/dbraw/zinc/17/60/54/385176054.db2.gz SATSNKQARMZIFA-LDYMZIIASA-N 0 3 228.267 0.879 20 0 BCADHN C[C@H]1CCN(C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000647304742 385178805 /nfs/dbraw/zinc/17/88/05/385178805.db2.gz CROGMMIPRGNBAX-GUBZILKMSA-N 0 3 229.299 0.738 20 0 BCADHN COCC[C@](C)(O)CNCc1ccncc1 ZINC000172070157 385211092 /nfs/dbraw/zinc/21/10/92/385211092.db2.gz ALDRIEZSPMTZAE-LBPRGKRZSA-N 0 3 224.304 0.959 20 0 BCADHN O=C1CCCCN1[C@@H]1CCCN(CCCO)C1 ZINC000370898620 385211198 /nfs/dbraw/zinc/21/11/98/385211198.db2.gz MXEMUUYIULYIMG-GFCCVEGCSA-N 0 3 240.347 0.846 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000246663731 385211963 /nfs/dbraw/zinc/21/19/63/385211963.db2.gz LUORVTMGBDJZKN-CWPPHPDTSA-N 0 3 216.284 0.788 20 0 BCADHN C[C@@H]1OCC[C@H]1NC[C@H]1CCCCS1(=O)=O ZINC000328612641 385216459 /nfs/dbraw/zinc/21/64/59/385216459.db2.gz PPQQLWKNMDUUEW-HBNTYKKESA-N 0 3 247.360 0.721 20 0 BCADHN CCOC[C@H](C)N[C@@H](C)C(=O)NC(C)C ZINC000044723966 385219497 /nfs/dbraw/zinc/21/94/97/385219497.db2.gz DPNRMCHMYSVQNW-UWVGGRQHSA-N 0 3 216.325 0.914 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)c1ccccn1 ZINC000152852694 385220089 /nfs/dbraw/zinc/22/00/89/385220089.db2.gz JHTQHYBVSADLCQ-LBPRGKRZSA-N 0 3 237.303 0.124 20 0 BCADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cnn(C)c1 ZINC000247239584 385221151 /nfs/dbraw/zinc/22/11/51/385221151.db2.gz MZQAZLLPBKEWHA-JQWIXIFHSA-N 0 3 248.330 0.729 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726693 385223642 /nfs/dbraw/zinc/22/36/42/385223642.db2.gz RYDNDFTZRBMZMT-MRVPVSSYSA-N 0 3 211.309 0.077 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726817 385225291 /nfs/dbraw/zinc/22/52/91/385225291.db2.gz BHRGUWZZGCNCMC-SCZZXKLOSA-N 0 3 211.309 0.077 20 0 BCADHN CN(C)CCN(C(=O)CN)c1ccccc1 ZINC000166204462 385227512 /nfs/dbraw/zinc/22/75/12/385227512.db2.gz OMJJAQWVZMXDTR-UHFFFAOYSA-N 0 3 221.304 0.540 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)c1cnccn1 ZINC000647075339 385228592 /nfs/dbraw/zinc/22/85/92/385228592.db2.gz PSUNUTDWKFWWIX-QMMMGPOBSA-N 0 3 242.229 0.204 20 0 BCADHN C[C@H](CN[C@H]1CCCS(=O)(=O)C1)N(C)C ZINC000068940084 385232303 /nfs/dbraw/zinc/23/23/03/385232303.db2.gz NAHUHTJVHGJGCG-ZJUUUORDSA-N 0 3 234.365 0.103 20 0 BCADHN Cn1nccc1CNC[C@@H](CO)C1CC1 ZINC000308878319 385233066 /nfs/dbraw/zinc/23/30/66/385233066.db2.gz OSKLDSAGOJHUKU-JTQLQIEISA-N 0 3 209.293 0.528 20 0 BCADHN NC(=O)C1(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000647076418 385233832 /nfs/dbraw/zinc/23/38/32/385233832.db2.gz NGDRAKYMEDYESK-UHFFFAOYSA-N 0 3 245.282 0.494 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)c1ccco1 ZINC000153070358 385235166 /nfs/dbraw/zinc/23/51/66/385235166.db2.gz UXPAHYLJLMYPBP-LLVKDONJSA-N 0 3 226.276 0.322 20 0 BCADHN C[C@H](CN(C)C)NC(=O)CNCC(F)(F)F ZINC000130293368 385237145 /nfs/dbraw/zinc/23/71/45/385237145.db2.gz FVBHOJTUVVRKHY-SSDOTTSWSA-N 0 3 241.257 0.205 20 0 BCADHN CC(C)NC(=O)NCCN(C)[C@H]1CCOC1 ZINC000516647376 385238305 /nfs/dbraw/zinc/23/83/05/385238305.db2.gz PDXZUQSICVQDJV-JTQLQIEISA-N 0 3 229.324 0.415 20 0 BCADHN C[C@@H]1CN(CCO)CCN1Cc1ccn(C)c1 ZINC000449785650 385238512 /nfs/dbraw/zinc/23/85/12/385238512.db2.gz IAZZJQNQCBQFOP-GFCCVEGCSA-N 0 3 237.347 0.524 20 0 BCADHN Cc1cc(CN2CC[C@H]3CN(C)C[C@H]32)ncn1 ZINC000644729738 385239222 /nfs/dbraw/zinc/23/92/22/385239222.db2.gz NPFMOOQCDZYWMG-WCQYABFASA-N 0 3 232.331 0.921 20 0 BCADHN CC(C)CCOCCNC(=O)[C@H](C)N ZINC000045109074 385241762 /nfs/dbraw/zinc/24/17/62/385241762.db2.gz SLVWILGFCZQCGP-VIFPVBQESA-N 0 3 202.298 0.513 20 0 BCADHN Cc1cc(CN2CC[C@@H]3CN(C)C[C@H]32)nn1C ZINC000644729800 385242550 /nfs/dbraw/zinc/24/25/50/385242550.db2.gz HDGCAASHWPUVPV-DGCLKSJQSA-N 0 3 234.347 0.864 20 0 BCADHN CN(C)C(=O)CN(C)CCCn1ccnc1 ZINC000130370100 385243759 /nfs/dbraw/zinc/24/37/59/385243759.db2.gz DQSJAFMEGDPLDW-UHFFFAOYSA-N 0 3 224.308 0.293 20 0 BCADHN O=C(CN1CCC[C@@H]1CCO)N1CCC1 ZINC000308891798 385244061 /nfs/dbraw/zinc/24/40/61/385244061.db2.gz RGXGVCJCEDSNBX-SNVBAGLBSA-N 0 3 212.293 0.066 20 0 BCADHN CC(C)[C@H](CCO)NC(=O)N[C@H](C)CN(C)C ZINC000358495586 385245507 /nfs/dbraw/zinc/24/55/07/385245507.db2.gz ILQZCOGJGOFUKW-MNOVXSKESA-N 0 3 245.367 0.643 20 0 BCADHN Cn1ccnc1CNC[C@H](CO)C1CC1 ZINC000308887252 385252772 /nfs/dbraw/zinc/25/27/72/385252772.db2.gz ULSUMSZSOJEUSU-SNVBAGLBSA-N 0 3 209.293 0.528 20 0 BCADHN CC(=O)c1cc(C(=O)N(C)CCN)n(C)c1 ZINC000647088757 385254515 /nfs/dbraw/zinc/25/45/15/385254515.db2.gz OJSRTFQPKMQBCI-UHFFFAOYSA-N 0 3 223.276 0.258 20 0 BCADHN C[C@H](CO)N1CCCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000364210055 385255779 /nfs/dbraw/zinc/25/57/79/385255779.db2.gz CTICUTXFVUVCOK-IJLUTSLNSA-N 0 3 240.347 0.558 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)[nH]n1 ZINC000262846037 385202630 /nfs/dbraw/zinc/20/26/30/385202630.db2.gz YMQIXQXVVWZUPY-IUCAKERBSA-N 0 3 222.292 0.541 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)n[nH]1 ZINC000262846037 385202634 /nfs/dbraw/zinc/20/26/34/385202634.db2.gz YMQIXQXVVWZUPY-IUCAKERBSA-N 0 3 222.292 0.541 20 0 BCADHN CN1CC=C(CNC(=O)N2CCOCC2)CC1 ZINC000336375766 385203512 /nfs/dbraw/zinc/20/35/12/385203512.db2.gz VVSDOMHMPRZBMJ-UHFFFAOYSA-N 0 3 239.319 0.290 20 0 BCADHN CCCN(C)CC(=O)NCCCCO ZINC000427818280 385203948 /nfs/dbraw/zinc/20/39/48/385203948.db2.gz OJOBHTOXGLWFJE-UHFFFAOYSA-N 0 3 202.298 0.217 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CCN(c2cccnc2)C1 ZINC000364262077 385302978 /nfs/dbraw/zinc/30/29/78/385302978.db2.gz WDBFUNYXSAZXRE-UWVGGRQHSA-N 0 3 234.303 0.124 20 0 BCADHN CC(C)(C)OCCN1CCC[C@@](O)(CO)C1 ZINC000313640914 385309569 /nfs/dbraw/zinc/30/95/69/385309569.db2.gz YKBJEWSZNSHKAB-LBPRGKRZSA-N 0 3 231.336 0.621 20 0 BCADHN Cc1nc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c[nH]1 ZINC000272557001 385317400 /nfs/dbraw/zinc/31/74/00/385317400.db2.gz TZBJGISVWLBCPU-CMPLNLGQSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1ncc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)[nH]1 ZINC000272557001 385317401 /nfs/dbraw/zinc/31/74/01/385317401.db2.gz TZBJGISVWLBCPU-CMPLNLGQSA-N 0 3 248.330 0.884 20 0 BCADHN Cc1n[nH]cc1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272569621 385318563 /nfs/dbraw/zinc/31/85/63/385318563.db2.gz VCDUBOKBULMMGY-JQWIXIFHSA-N 0 3 248.330 0.884 20 0 BCADHN COCCNCC(=O)NCCC(C)(C)C ZINC000157956543 385319015 /nfs/dbraw/zinc/31/90/15/385319015.db2.gz UMYXEAJQTKBGEE-UHFFFAOYSA-N 0 3 216.325 0.775 20 0 BCADHN CS[C@H](CO)[C@@H](C)NCc1cncnc1 ZINC000152439101 385259872 /nfs/dbraw/zinc/25/98/72/385259872.db2.gz HGDLSQUPTJFBCX-PSASIEDQSA-N 0 3 227.333 0.679 20 0 BCADHN C[C@H](N)C(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000157730892 385261316 /nfs/dbraw/zinc/26/13/16/385261316.db2.gz UMIPYRIEQOGXMZ-DCAQKATOSA-N 0 3 228.336 0.781 20 0 BCADHN C[C@@H](CCS(C)(=O)=O)N[C@@H](C)c1cn[nH]c1 ZINC000330364009 385262119 /nfs/dbraw/zinc/26/21/19/385262119.db2.gz BWWFXRHYEMCNIN-IUCAKERBSA-N 0 3 245.348 0.884 20 0 BCADHN CC(C)CNC(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000644731642 385263026 /nfs/dbraw/zinc/26/30/26/385263026.db2.gz NTLRUYGDBBIWKS-VXGBXAGGSA-N 0 3 239.363 0.395 20 0 BCADHN CC[C@H](CCO)CNC(=O)N[C@H](C)CN(C)C ZINC000358510701 385263314 /nfs/dbraw/zinc/26/33/14/385263314.db2.gz WUXWYFDHTNCJLW-GHMZBOCLSA-N 0 3 245.367 0.644 20 0 BCADHN C[C@H](NC[C@@]1(O)CCN(C)C1)c1ncc[nH]1 ZINC000330364054 385264474 /nfs/dbraw/zinc/26/44/74/385264474.db2.gz COYIDTUTTJATSV-ONGXEEELSA-N 0 3 224.308 0.127 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000153563852 385265082 /nfs/dbraw/zinc/26/50/82/385265082.db2.gz QAXRLUYTRARAPO-WDEREUQCSA-N 0 3 240.278 0.713 20 0 BCADHN CCn1ncnc1CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644731770 385268162 /nfs/dbraw/zinc/26/81/62/385268162.db2.gz GZGLFQXFALUSND-MNOVXSKESA-N 0 3 235.335 0.434 20 0 BCADHN CSCC[C@H](N)C(=O)N[C@@H](C)CSC ZINC000157738150 385272100 /nfs/dbraw/zinc/27/21/00/385272100.db2.gz LSEYJNYJTRJGLU-YUMQZZPRSA-N 0 3 236.406 0.935 20 0 BCADHN CN1C[C@@H]2CCN(Cc3ccnn3C)[C@@H]2C1 ZINC000644732184 385274825 /nfs/dbraw/zinc/27/48/25/385274825.db2.gz TUMUTGIWILHGSD-CMPLNLGQSA-N 0 3 220.320 0.556 20 0 BCADHN COC[C@H](C)[C@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000360609799 385278149 /nfs/dbraw/zinc/27/81/49/385278149.db2.gz GNLIBFBCCKRYQY-DCAQKATOSA-N 0 3 230.352 0.971 20 0 BCADHN CCOC[C@H](O)CN(CC)[C@H]1CCOC1 ZINC000308983704 385324828 /nfs/dbraw/zinc/32/48/28/385324828.db2.gz FXUUULQBEMDUJG-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN CC1(C)CCN(CCN2CCCS2(=O)=O)C1 ZINC000336408291 385279996 /nfs/dbraw/zinc/27/99/96/385279996.db2.gz BTVYTGWMOTVBPL-UHFFFAOYSA-N 0 3 246.376 0.754 20 0 BCADHN COC[C@H](C)NCc1n[nH]c(C2CC2)n1 ZINC000308915266 385282519 /nfs/dbraw/zinc/28/25/19/385282519.db2.gz FSRNJLMXANTUCT-ZETCQYMHSA-N 0 3 210.281 0.807 20 0 BCADHN CC[C@@H]1CN(C)CCCN1C(=O)CN(C)C ZINC000647651154 385283338 /nfs/dbraw/zinc/28/33/38/385283338.db2.gz BFDMQFAGCHBLFH-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN Cn1nncc1CN[C@H](CO)C(C)(C)C ZINC000308908308 385284943 /nfs/dbraw/zinc/28/49/43/385284943.db2.gz QRKCTASPWUGZIS-SECBINFHSA-N 0 3 212.297 0.312 20 0 BCADHN Cc1nnc(CN2CC[C@H]3CN(C)C[C@H]32)n1C ZINC000644732330 385286798 /nfs/dbraw/zinc/28/67/98/385286798.db2.gz GIBUXWGUAFVKJO-WDEREUQCSA-N 0 3 235.335 0.259 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCC[C@H](O)C1 ZINC000558032270 385287680 /nfs/dbraw/zinc/28/76/80/385287680.db2.gz UADODYZVXPESSE-DCAQKATOSA-N 0 3 228.336 0.604 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@H](C)[C@@H]1CO ZINC000191182463 385289854 /nfs/dbraw/zinc/28/98/54/385289854.db2.gz VEHJNRZDEBJUPU-CABZTGNLSA-N 0 3 223.320 0.931 20 0 BCADHN CO[C@](C)(C(=O)N[C@H](C)CN(C)C)C1CC1 ZINC000360614116 385292332 /nfs/dbraw/zinc/29/23/32/385292332.db2.gz WMEXOHNZMMLXEM-SKDRFNHKSA-N 0 3 228.336 0.868 20 0 BCADHN CCCN1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000363511292 385292459 /nfs/dbraw/zinc/29/24/59/385292459.db2.gz JNOKFOPNBNOKTC-UHFFFAOYSA-N 0 3 222.292 0.714 20 0 BCADHN COC[C@@H](CCO)N[C@@H](C)COC(C)C ZINC000308923598 385294876 /nfs/dbraw/zinc/29/48/76/385294876.db2.gz HQIIKRYRKOHKAP-WDEREUQCSA-N 0 3 219.325 0.787 20 0 BCADHN CCOCCO[C@H]1CCN(CCOC)C1 ZINC000157855967 385295110 /nfs/dbraw/zinc/29/51/10/385295110.db2.gz MWMUKHMFXYKGQM-NSHDSACASA-N 0 3 217.309 0.760 20 0 BCADHN Cc1noc(C)c1CNC[C@@]1(O)CCO[C@@H]1C ZINC000227972052 385298569 /nfs/dbraw/zinc/29/85/69/385298569.db2.gz YKBLMTVSKVSWIC-PWSUYJOCSA-N 0 3 240.303 0.921 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@@H]2CCNC2=O)C1(C)C ZINC000308943519 385299604 /nfs/dbraw/zinc/29/96/04/385299604.db2.gz MXNPJRVEPZPSQQ-IWSPIJDZSA-N 0 3 212.293 0.278 20 0 BCADHN C[C@H]1OCC[C@]1(O)CNCc1cncc(F)c1 ZINC000227971467 385300287 /nfs/dbraw/zinc/30/02/87/385300287.db2.gz PFBCJHWPJYRGLV-SKDRFNHKSA-N 0 3 240.278 0.850 20 0 BCADHN C[C@H]1OCC[C@@]1(O)CNCc1cncc(F)c1 ZINC000227971452 385300552 /nfs/dbraw/zinc/30/05/52/385300552.db2.gz PFBCJHWPJYRGLV-BXKDBHETSA-N 0 3 240.278 0.850 20 0 BCADHN CC(C)(C)[C@@H](NCCN1CCCCC1)C(N)=O ZINC000158019004 385328955 /nfs/dbraw/zinc/32/89/55/385328955.db2.gz WVHRENVMZSAWBG-NSHDSACASA-N 0 3 241.379 0.962 20 0 BCADHN CCN1C[C@H](N[C@H](C)COC)CC1=O ZINC000391592380 385330841 /nfs/dbraw/zinc/33/08/41/385330841.db2.gz FYBQDERVIZGNSB-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@@H](NCC1=CCCOC1)C(=O)N(C)C ZINC000308995881 385338677 /nfs/dbraw/zinc/33/86/77/385338677.db2.gz MOIYKUFWDNIKKI-SECBINFHSA-N 0 3 212.293 0.399 20 0 BCADHN CN1CC[C@@H]2CCN(c3nccn(C)c3=O)C[C@@H]21 ZINC000364301482 385338818 /nfs/dbraw/zinc/33/88/18/385338818.db2.gz IGOIKABBTSDMIN-MNOVXSKESA-N 0 3 248.330 0.311 20 0 BCADHN C[C@H](N[C@H]1CCOC1)C(=O)NCc1ccco1 ZINC000131492037 385339404 /nfs/dbraw/zinc/33/94/04/385339404.db2.gz XWFZXZMEACIEHN-UWVGGRQHSA-N 0 3 238.287 0.663 20 0 BCADHN COCCCNC(=O)/C=C\CN(C)C ZINC000491645548 385339711 /nfs/dbraw/zinc/33/97/11/385339711.db2.gz SFSMQNNXAYGZJH-XQRVVYSFSA-N 0 3 200.282 0.257 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)NC1(CO)CC1 ZINC000408057892 385341909 /nfs/dbraw/zinc/34/19/09/385341909.db2.gz BIXNUKGGPLFGER-UWVGGRQHSA-N 0 3 226.320 0.500 20 0 BCADHN Cc1noc(C)c1CN1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000377726067 385344545 /nfs/dbraw/zinc/34/45/45/385344545.db2.gz ONIBNPQOXGIFID-WDEREUQCSA-N 0 3 249.314 0.859 20 0 BCADHN CN(C(=O)[C@@H]1NCC1(C)C)C1CCOCC1 ZINC000643983124 385346419 /nfs/dbraw/zinc/34/64/19/385346419.db2.gz PRMJBFOUPZTDKZ-JTQLQIEISA-N 0 3 226.320 0.622 20 0 BCADHN CN1C[C@H]2CCN(Cc3ncccn3)[C@@H]2C1 ZINC000644733491 385347757 /nfs/dbraw/zinc/34/77/57/385347757.db2.gz MEPHIQPJPKHGCX-GHMZBOCLSA-N 0 3 218.304 0.613 20 0 BCADHN C[C@H](NCCNC(=O)C1CC1)c1ccnn1C ZINC000192252937 385350375 /nfs/dbraw/zinc/35/03/75/385350375.db2.gz CUCAMWVAJBECES-VIFPVBQESA-N 0 3 236.319 0.597 20 0 BCADHN CCc1nc(CN2CC[C@@H]3CN(C)C[C@@H]32)no1 ZINC000644736633 385389534 /nfs/dbraw/zinc/38/95/34/385389534.db2.gz OXZRTJMODVUVQO-ZJUUUORDSA-N 0 3 236.319 0.768 20 0 BCADHN C[C@H](C(=O)N1CCNCC1)[C@H](N)c1ccccc1 ZINC000131664971 385351780 /nfs/dbraw/zinc/35/17/80/385351780.db2.gz YPWKSPOXLZSHKL-AAEUAGOBSA-N 0 3 247.342 0.754 20 0 BCADHN Cn1cccc1C(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000644735123 385352776 /nfs/dbraw/zinc/35/27/76/385352776.db2.gz VQLZRFSGGCSNTI-DGCLKSJQSA-N 0 3 247.342 0.844 20 0 BCADHN CCC(CC)(NC(=O)[C@H]1NCC1(C)C)C(N)=O ZINC000643986302 385353663 /nfs/dbraw/zinc/35/36/63/385353663.db2.gz YHZIPTPUVHYRFA-MRVPVSSYSA-N 0 3 241.335 0.145 20 0 BCADHN COC[C@@H](O)CN1CCOCC2(CCCC2)C1 ZINC000364326693 385354748 /nfs/dbraw/zinc/35/47/48/385354748.db2.gz VOWRBIJCMWKHSK-LBPRGKRZSA-N 0 3 243.347 0.886 20 0 BCADHN C[C@@H](N)C(=O)N1CCCN(CC(F)F)CC1 ZINC000158140390 385355130 /nfs/dbraw/zinc/35/51/30/385355130.db2.gz PZANDOXUOQNMAE-MRVPVSSYSA-N 0 3 235.278 0.133 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@@H](C)N)CCN1CC(F)F ZINC000158137183 385355447 /nfs/dbraw/zinc/35/54/47/385355447.db2.gz DMSHVLWNXMLTDC-RKDXNWHRSA-N 0 3 249.305 0.522 20 0 BCADHN O=C(NC1CCOCC1)[C@H]1CNCCC1(F)F ZINC000643986427 385355632 /nfs/dbraw/zinc/35/56/32/385355632.db2.gz HVGWTYNVVGFHBS-SECBINFHSA-N 0 3 248.273 0.526 20 0 BCADHN CC[C@H](N)C(=O)N(C)Cc1nccn1C(F)F ZINC000165179687 385355734 /nfs/dbraw/zinc/35/57/34/385355734.db2.gz MIBCFEHCYJBARL-ZETCQYMHSA-N 0 3 246.261 0.974 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)[C@@H](O)C(C)C ZINC000643988854 385357486 /nfs/dbraw/zinc/35/74/86/385357486.db2.gz PZWJBSDOPUYQPO-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)CCN1CC[C@@H](S(N)(=O)=O)C1 ZINC000408001772 385360317 /nfs/dbraw/zinc/36/03/17/385360317.db2.gz AFYMONGMVWOLMW-SECBINFHSA-N 0 3 220.338 0.395 20 0 BCADHN CN(C)C/C=C/C(=O)N[C@@H]1CCc2nccn2C1 ZINC000364332873 385360445 /nfs/dbraw/zinc/36/04/45/385360445.db2.gz ZBHMEJKSDBIWHS-PGLGOXFNSA-N 0 3 248.330 0.432 20 0 BCADHN CONC(=O)c1ccnc(OCCN(C)C)c1 ZINC000154879264 385361527 /nfs/dbraw/zinc/36/15/27/385361527.db2.gz JKVDAXRRZBAQBI-UHFFFAOYSA-N 0 3 239.275 0.313 20 0 BCADHN CC[C@@H](CNC(=O)C1CCN(C)CC1)OC ZINC000427911973 385362076 /nfs/dbraw/zinc/36/20/76/385362076.db2.gz FHGJHLWLEAATTO-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](N[C@@H]1CCOC1)C1(S(C)(=O)=O)CC1 ZINC000309022172 385365521 /nfs/dbraw/zinc/36/55/21/385365521.db2.gz XUGQRVVWWQWMQZ-RKDXNWHRSA-N 0 3 233.333 0.331 20 0 BCADHN C[C@H](F)CCN[C@@H](CO)c1cnn(C)c1 ZINC000309025625 385366293 /nfs/dbraw/zinc/36/62/93/385366293.db2.gz ZSXCAAJYVAXCHB-WPRPVWTQSA-N 0 3 215.272 0.791 20 0 BCADHN C[C@H](N)C(=O)N(C)CCN(C)c1ccccc1 ZINC000168379109 385366205 /nfs/dbraw/zinc/36/62/05/385366205.db2.gz PKMRYYDMYLDNCI-NSHDSACASA-N 0 3 235.331 0.928 20 0 BCADHN C[C@@H](O)CN1CCN(Cc2c[nH]cn2)[C@H](C)C1 ZINC000192813539 385371806 /nfs/dbraw/zinc/37/18/06/385371806.db2.gz UXBZIDWOULEUIS-GHMZBOCLSA-N 0 3 238.335 0.297 20 0 BCADHN C[C@@H](O)CN1CCN(Cc2cnc[nH]2)[C@H](C)C1 ZINC000192813539 385371809 /nfs/dbraw/zinc/37/18/09/385371809.db2.gz UXBZIDWOULEUIS-GHMZBOCLSA-N 0 3 238.335 0.297 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2NCC2(C)C)[C@@H](C)CO1 ZINC000644008150 385371984 /nfs/dbraw/zinc/37/19/84/385371984.db2.gz VWJYATHWMJOMNQ-IVZWLZJFSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@H](N[C@H]1CCCNC1=O)[C@@H]1CCCO1 ZINC000309031696 385378934 /nfs/dbraw/zinc/37/89/34/385378934.db2.gz CCABBDZDPAFQJV-GUBZILKMSA-N 0 3 212.293 0.422 20 0 BCADHN Cn1nccc1NC(=O)[C@H]1CNCCC1(F)F ZINC000644019179 385381464 /nfs/dbraw/zinc/38/14/64/385381464.db2.gz VMJXVOWSMSYYRS-SSDOTTSWSA-N 0 3 244.245 0.603 20 0 BCADHN C[C@]1(NC(=O)[C@H](N)CC(F)F)CCOC1 ZINC000309048540 385382228 /nfs/dbraw/zinc/38/22/28/385382228.db2.gz OGBZRRHAQYELQW-MUWHJKNJSA-N 0 3 222.235 0.264 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2cncnc2)CN1C1CC1 ZINC000273861469 385382594 /nfs/dbraw/zinc/38/25/94/385382594.db2.gz USYJWIOITMXLBC-MWLCHTKSSA-N 0 3 246.314 0.832 20 0 BCADHN CCOC[C@H](C)N[C@@H](CO)[C@H]1CCCO1 ZINC000309051030 385384040 /nfs/dbraw/zinc/38/40/40/385384040.db2.gz RCLPFPZBASXVFU-GARJFASQSA-N 0 3 217.309 0.541 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N[C@@H]1CCCOC1 ZINC000309054874 385385296 /nfs/dbraw/zinc/38/52/96/385385296.db2.gz SHIINZFHGNKSFY-RQJHMYQMSA-N 0 3 222.235 0.264 20 0 BCADHN CCOCCN[C@H](COC)[C@@H]1CCCO1 ZINC000309041580 385387015 /nfs/dbraw/zinc/38/70/15/385387015.db2.gz LOASBWAGWAPBON-MNOVXSKESA-N 0 3 217.309 0.807 20 0 BCADHN CN1CCC[C@@H](NC(=O)CCc2cncnc2)C1 ZINC000644791828 385324940 /nfs/dbraw/zinc/32/49/40/385324940.db2.gz FLXZFUGXODGDBG-GFCCVEGCSA-N 0 3 248.330 0.620 20 0 BCADHN C[C@@H](N)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000178038410 385325060 /nfs/dbraw/zinc/32/50/60/385325060.db2.gz MPRYVBDYBXBUGG-RKDXNWHRSA-N 0 3 222.288 0.703 20 0 BCADHN C[C@H](CO)NC(=O)C1CCN(C2CC2)CC1 ZINC000194180027 385424528 /nfs/dbraw/zinc/42/45/28/385424528.db2.gz KOOHEKNNOROLSV-SECBINFHSA-N 0 3 226.320 0.358 20 0 BCADHN C[C@@H](NC(=O)[C@@H]1NCC1(C)C)C1CCOCC1 ZINC000644035550 385391527 /nfs/dbraw/zinc/39/15/27/385391527.db2.gz RPDFQZHUGXJQHW-KOLCDFICSA-N 0 3 240.347 0.916 20 0 BCADHN CCOCCOCC(=O)N1CCNCC1(C)C ZINC000644076074 385425115 /nfs/dbraw/zinc/42/51/15/385425115.db2.gz XNWUHHUUDOLSSE-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN C[C@@H](NC[C@]1(O)CCSC1)c1cn[nH]c1 ZINC000281079780 385393493 /nfs/dbraw/zinc/39/34/93/385393493.db2.gz UKMMTNYKKBZJAJ-PSASIEDQSA-N 0 3 227.333 0.928 20 0 BCADHN COC(=O)c1ccc(N[C@H](C)CN(C)C)nn1 ZINC000168944670 385393671 /nfs/dbraw/zinc/39/36/71/385393671.db2.gz PWDOUPNHTCTHHR-MRVPVSSYSA-N 0 3 238.291 0.625 20 0 BCADHN Cc1nnc2c(N[C@H](C)CN(C)C)nccn12 ZINC000168996638 385398417 /nfs/dbraw/zinc/39/84/17/385398417.db2.gz NLHUPGGAYCHKQM-MRVPVSSYSA-N 0 3 234.307 0.795 20 0 BCADHN Cc1cn[nH]c1CNCCn1cccn1 ZINC000309083367 385402134 /nfs/dbraw/zinc/40/21/34/385402134.db2.gz SVLUISMKOSWNGY-UHFFFAOYSA-N 0 3 205.265 0.704 20 0 BCADHN CC[C@H]1CN(C(=O)[C@H](C)N)C[C@@H](C)O1 ZINC000155634007 385402381 /nfs/dbraw/zinc/40/23/81/385402381.db2.gz DOYUPKHXYCNGCM-VGMNWLOBSA-N 0 3 200.282 0.360 20 0 BCADHN CC(C)(C)N[C@@H]1CC(=O)N(C2CC2)C1=O ZINC000102665152 385403726 /nfs/dbraw/zinc/40/37/26/385403726.db2.gz NKGCONKRAUVPSF-MRVPVSSYSA-N 0 3 210.277 0.664 20 0 BCADHN CC[C@H](N)C(=O)NCc1nc2ccccc2n1C ZINC000178667028 385405552 /nfs/dbraw/zinc/40/55/52/385405552.db2.gz WBKNZWWWUGZCMN-VIFPVBQESA-N 0 3 246.314 0.927 20 0 BCADHN Cc1cc(NC(=O)[C@@H]2NCC2(C)C)n(C)n1 ZINC000644054645 385406350 /nfs/dbraw/zinc/40/63/50/385406350.db2.gz IYYIPAPPBOLLRI-VIFPVBQESA-N 0 3 222.292 0.665 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CC[C@]2(CCOC2)C1 ZINC000644054834 385406427 /nfs/dbraw/zinc/40/64/27/385406427.db2.gz BTZLNGPARJASBE-MFKMUULPSA-N 0 3 238.331 0.623 20 0 BCADHN CC(C)[C@H](O)CN1CCN(CC(C)(C)O)CC1 ZINC000336712846 385419069 /nfs/dbraw/zinc/41/90/69/385419069.db2.gz QZNKXTYWPRLZMQ-GFCCVEGCSA-N 0 3 244.379 0.392 20 0 BCADHN CC(C)[C@H](N)C(=O)NCc1ccn2ccnc2c1 ZINC000178800930 385419113 /nfs/dbraw/zinc/41/91/13/385419113.db2.gz FHKCQQMGVMGOEE-LBPRGKRZSA-N 0 3 246.314 0.934 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000155901523 385419807 /nfs/dbraw/zinc/41/98/07/385419807.db2.gz REFIUTMDRFNZBN-OIBJUYFYSA-N 0 3 226.251 0.323 20 0 BCADHN Cn1c(=O)cccc1C(=O)N1CCNCC1(C)C ZINC000644074988 385422771 /nfs/dbraw/zinc/42/27/71/385422771.db2.gz NZKCDNRBYMSFQH-UHFFFAOYSA-N 0 3 249.314 0.209 20 0 BCADHN CC1(C)CNCCN1C(=O)c1cocn1 ZINC000644075144 385422838 /nfs/dbraw/zinc/42/28/38/385422838.db2.gz VYUGKKIPBRUTPM-UHFFFAOYSA-N 0 3 209.249 0.499 20 0 BCADHN CN1CCC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000590104036 385423465 /nfs/dbraw/zinc/42/34/65/385423465.db2.gz GJUXRMSQXSDQJB-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H]1CCN[C@H](C(=O)Nc2cc[nH]n2)C1 ZINC000167424977 385438554 /nfs/dbraw/zinc/43/85/54/385438554.db2.gz XWIRPNUVLSILPN-SFYZADRCSA-N 0 3 208.265 0.736 20 0 BCADHN Cn1cc(CN2CC[C@](O)(C3CC3)C2)cn1 ZINC000336096839 385442476 /nfs/dbraw/zinc/44/24/76/385442476.db2.gz VJPJJGAEJMCNSE-GFCCVEGCSA-N 0 3 221.304 0.767 20 0 BCADHN Cc1cn[nH]c1CNCC1(C)OCCCO1 ZINC000289423106 385444892 /nfs/dbraw/zinc/44/48/92/385444892.db2.gz CVYCNFNXKMUXOC-UHFFFAOYSA-N 0 3 225.292 0.961 20 0 BCADHN Cc1cc(C(=O)NC[C@H]2CCCN2C)[nH]n1 ZINC000194692873 385445485 /nfs/dbraw/zinc/44/54/85/385445485.db2.gz CLPNEYQPPKXEFU-SECBINFHSA-N 0 3 222.292 0.542 20 0 BCADHN COC(=O)CN1CCC(NCCF)CC1 ZINC000336766568 385445668 /nfs/dbraw/zinc/44/56/68/385445668.db2.gz RSQWARODFYUMQF-UHFFFAOYSA-N 0 3 218.272 0.183 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC000170782597 385446477 /nfs/dbraw/zinc/44/64/77/385446477.db2.gz RMSGQYAICDJFJR-SNVBAGLBSA-N 0 3 236.319 0.586 20 0 BCADHN COC(C)(C)[C@H](C)NCC(=O)NCC(F)F ZINC000336767184 385455615 /nfs/dbraw/zinc/45/56/15/385455615.db2.gz PLZXQMRTJQKDRA-ZETCQYMHSA-N 0 3 238.278 0.771 20 0 BCADHN Cc1cnn(C)c1CNCCN1CCC1 ZINC000309187835 385455724 /nfs/dbraw/zinc/45/57/24/385455724.db2.gz PBYXSLBDZXECNT-UHFFFAOYSA-N 0 3 208.309 0.524 20 0 BCADHN CCCN(C(=O)C[C@@H]1CNCCO1)C1CC1 ZINC000085619093 134449819 /nfs/dbraw/zinc/44/98/19/134449819.db2.gz GVNCTPOIEJUEHR-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@H](COC)N[C@H](C)C(=O)NCCF ZINC000309191334 385457136 /nfs/dbraw/zinc/45/71/36/385457136.db2.gz PSJKULJRPWNJQD-RKDXNWHRSA-N 0 3 220.288 0.475 20 0 BCADHN C=Cn1cc(CN[C@@H]2CCC(=O)N(C)C2)cn1 ZINC000194353893 385430777 /nfs/dbraw/zinc/43/07/77/385430777.db2.gz OCNSIMUVWVLRCF-LLVKDONJSA-N 0 3 234.303 0.694 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@H](OC)C(C)C ZINC000336765954 385432093 /nfs/dbraw/zinc/43/20/93/385432093.db2.gz ROROVWVFUPAMHC-BDAKNGLRSA-N 0 3 202.298 0.511 20 0 BCADHN CO[C@@H](C)CN1CCC(NC(N)=O)CC1 ZINC000182220732 385434334 /nfs/dbraw/zinc/43/43/34/385434334.db2.gz RXJCKRBEMOWFGY-QMMMGPOBSA-N 0 3 215.297 0.154 20 0 BCADHN CN(C)CCN(C)C(=O)c1cn(C)cn1 ZINC000179014277 385434390 /nfs/dbraw/zinc/43/43/90/385434390.db2.gz QPDXUHFDWYTRLC-UHFFFAOYSA-N 0 3 210.281 0.054 20 0 BCADHN CC[C@H](NCC(=O)NC1CC1)[C@H]1CCCO1 ZINC000182267179 385435711 /nfs/dbraw/zinc/43/57/11/385435711.db2.gz RYBDTYKXTANFFM-WDEREUQCSA-N 0 3 226.320 0.812 20 0 BCADHN CC[C@@H](NCC(=O)NC1CC1)[C@@H]1CCCO1 ZINC000182267165 385436601 /nfs/dbraw/zinc/43/66/01/385436601.db2.gz RYBDTYKXTANFFM-MNOVXSKESA-N 0 3 226.320 0.812 20 0 BCADHN CCC[C@H](C(=O)N(C)Cc1nnc[n-]1)[NH+](C)C ZINC000179396989 385464931 /nfs/dbraw/zinc/46/49/31/385464931.db2.gz UYOWKBSLZLILNJ-SECBINFHSA-N 0 3 239.323 0.493 20 0 BCADHN C[C@H](CNC(=O)c1cn[nH]c1)N(C)C1CC1 ZINC000171105510 385467665 /nfs/dbraw/zinc/46/76/65/385467665.db2.gz ODIAWOOLJRIVIY-MRVPVSSYSA-N 0 3 222.292 0.622 20 0 BCADHN C[C@@H](NC(=O)N[C@@H](C)CN(C)C)[C@@H]1CCOC1 ZINC000498042944 385473308 /nfs/dbraw/zinc/47/33/08/385473308.db2.gz CSLQPXSAPDPMEX-HBNTYKKESA-N 0 3 243.351 0.661 20 0 BCADHN CN1CCC[C@@H](NC(=O)CCc2ncccn2)C1 ZINC000643165363 385475831 /nfs/dbraw/zinc/47/58/31/385475831.db2.gz LLRMPPWXDNECQW-LLVKDONJSA-N 0 3 248.330 0.620 20 0 BCADHN CN(CC(N)=O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364639047 385483030 /nfs/dbraw/zinc/48/30/30/385483030.db2.gz ZIGFAPRTSOVUDM-FXBDTBDDSA-N 0 3 212.293 0.217 20 0 BCADHN CCc1cccc(NC(=O)CNC(=O)[C@@H](C)N)c1 ZINC000157100344 385486201 /nfs/dbraw/zinc/48/62/01/385486201.db2.gz UCGCPQNRZBTQNL-SECBINFHSA-N 0 3 249.314 0.651 20 0 BCADHN CO[C@@H](C)[C@@H](C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000161694854 385461762 /nfs/dbraw/zinc/46/17/62/385461762.db2.gz BASDNOUWUNQCMC-KXUCPTDWSA-N 0 3 235.349 0.577 20 0 BCADHN C[C@H](NC1CC1)C(=O)N1CCCN(C)CC1 ZINC000335662921 385463095 /nfs/dbraw/zinc/46/30/95/385463095.db2.gz LUNQJMKHUOGWLK-JTQLQIEISA-N 0 3 225.336 0.291 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NC[C@@H](C)COC ZINC000121040697 385464540 /nfs/dbraw/zinc/46/45/40/385464540.db2.gz CVNUQMWIBWKOQJ-NXEZZACHSA-N 0 3 237.365 0.682 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000227880892 385494053 /nfs/dbraw/zinc/49/40/53/385494053.db2.gz YMWXQCQVMJIDPN-SNVBAGLBSA-N 0 3 249.314 0.541 20 0 BCADHN C[C@H]1CNCCN1c1cc2c(nn1)CCC2 ZINC000642997039 385495253 /nfs/dbraw/zinc/49/52/53/385495253.db2.gz OQIBJYVGBAEILG-VIFPVBQESA-N 0 3 218.304 0.763 20 0 BCADHN CC(C)C(=O)NCCN(C)CCn1ccnc1 ZINC000157361191 385498189 /nfs/dbraw/zinc/49/81/89/385498189.db2.gz YXHLOXCVVMLOPP-UHFFFAOYSA-N 0 3 238.335 0.587 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cscn3)[C@@H]2C1 ZINC000644811831 385517718 /nfs/dbraw/zinc/51/77/18/385517718.db2.gz BDPHEMRSABAJFA-PSASIEDQSA-N 0 3 237.328 0.919 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000644122826 385501296 /nfs/dbraw/zinc/50/12/96/385501296.db2.gz JACXWAYOHXLLMJ-ZJUUUORDSA-N 0 3 229.324 0.151 20 0 BCADHN CC[C@H](O)CNC(=O)N[C@H]1CCCN(C)C1 ZINC000644122825 385502441 /nfs/dbraw/zinc/50/24/41/385502441.db2.gz JACXWAYOHXLLMJ-UWVGGRQHSA-N 0 3 229.324 0.151 20 0 BCADHN CN(C)CC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000106363711 385506141 /nfs/dbraw/zinc/50/61/41/385506141.db2.gz XDKBYTNDIUODCN-SNVBAGLBSA-N 0 3 213.325 0.101 20 0 BCADHN C[C@H](CO)CCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000364731412 385506845 /nfs/dbraw/zinc/50/68/45/385506845.db2.gz AZNOJPGPBUYOLJ-LPEHRKFASA-N 0 3 232.299 0.211 20 0 BCADHN Cc1[nH]nc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1C ZINC000644811407 385513677 /nfs/dbraw/zinc/51/36/77/385513677.db2.gz AMZKEVYRAFCZLT-MNOVXSKESA-N 0 3 248.330 0.803 20 0 BCADHN CN1CCC(O)(CNC(=O)NC2CCC2)CC1 ZINC000336591435 385513796 /nfs/dbraw/zinc/51/37/96/385513796.db2.gz SOCMDYPXBNWWFL-UHFFFAOYSA-N 0 3 241.335 0.295 20 0 BCADHN CN(C)CC1(NCc2ncc[nH]2)CCC1 ZINC000282164890 385514156 /nfs/dbraw/zinc/51/41/56/385514156.db2.gz ITNIAZHSFHNDHV-UHFFFAOYSA-N 0 3 208.309 0.984 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3cscn3)[C@@H]2C1 ZINC000644811836 385516486 /nfs/dbraw/zinc/51/64/86/385516486.db2.gz BDPHEMRSABAJFA-WCBMZHEXSA-N 0 3 237.328 0.919 20 0 BCADHN CC(C)[C@@H](CCO)NCC(=O)NCC1CC1 ZINC000161721423 385489028 /nfs/dbraw/zinc/48/90/28/385489028.db2.gz SVEJUKYLAFFOHR-LLVKDONJSA-N 0 3 228.336 0.509 20 0 BCADHN CO[C@H](CN[C@@H]1CCS(=O)(=O)[C@@H]1C)C1CC1 ZINC000378753826 385489049 /nfs/dbraw/zinc/48/90/49/385489049.db2.gz QPTKMHFPJIQIQI-FBIMIBRVSA-N 0 3 247.360 0.577 20 0 BCADHN CC(C)N(C)CC(=O)N(C)[C@@H]1CCOC1 ZINC000106838831 385530674 /nfs/dbraw/zinc/53/06/74/385530674.db2.gz QQVNBSPMZWYORX-SNVBAGLBSA-N 0 3 214.309 0.574 20 0 BCADHN COC(=O)COC[C@@H](C)NCc1ccn(C)c1 ZINC000295876058 385531269 /nfs/dbraw/zinc/53/12/69/385531269.db2.gz XOURBQIUNAMRDJ-SNVBAGLBSA-N 0 3 240.303 0.693 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@@H](N)CC(F)F ZINC000309318940 385531914 /nfs/dbraw/zinc/53/19/14/385531914.db2.gz PVEMIMDAUWYVQG-WDSKDSINSA-N 0 3 238.234 0.037 20 0 BCADHN COCC[C@H](COC)NCc1cnn(C)c1 ZINC000309320938 385533247 /nfs/dbraw/zinc/53/32/47/385533247.db2.gz HCRFMJMCFWEEQJ-LLVKDONJSA-N 0 3 227.308 0.561 20 0 BCADHN C[C@@H]1[C@@H](C)N(C(=O)CN(C)C)CCN1C ZINC000334289555 385533451 /nfs/dbraw/zinc/53/34/51/385533451.db2.gz KCHULCDITCFVAE-NXEZZACHSA-N 0 3 213.325 0.099 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCOC2)C1 ZINC000644812938 385536116 /nfs/dbraw/zinc/53/61/16/385536116.db2.gz FRLXVHKBDCZSRT-DCAQKATOSA-N 0 3 224.304 0.185 20 0 BCADHN C[C@H](O)CN(CCO)C[C@H]1CCC(C)(C)O1 ZINC000309338000 385538412 /nfs/dbraw/zinc/53/84/12/385538412.db2.gz WBGPENJRPLIWDF-WDEREUQCSA-N 0 3 231.336 0.619 20 0 BCADHN CC(C)[C@H](C(=O)NCCn1ccnc1)N(C)C ZINC000106906605 385538592 /nfs/dbraw/zinc/53/85/92/385538592.db2.gz ANYMJRNIRGZGHD-LLVKDONJSA-N 0 3 238.335 0.586 20 0 BCADHN C[C@H](O)CN(CCO)C[C@@H]1CCC(C)(C)O1 ZINC000309337999 385538705 /nfs/dbraw/zinc/53/87/05/385538705.db2.gz WBGPENJRPLIWDF-QWRGUYRKSA-N 0 3 231.336 0.619 20 0 BCADHN C[C@@H](N)C(=O)NCC1([C@H](O)c2ccccc2)CC1 ZINC000157952255 385539331 /nfs/dbraw/zinc/53/93/31/385539331.db2.gz UKYZEBNPZHEMGV-ZYHUDNBSSA-N 0 3 248.326 0.964 20 0 BCADHN CC[C@](C)(CN[C@@]1(CO)CCOC1)OC ZINC000319043952 385539496 /nfs/dbraw/zinc/53/94/96/385539496.db2.gz LPWXSGLYECTUMJ-GHMZBOCLSA-N 0 3 217.309 0.543 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000644152415 385549015 /nfs/dbraw/zinc/54/90/15/385549015.db2.gz IJAYUWAMOQYTNW-GMTAPVOTSA-N 0 3 242.319 0.034 20 0 BCADHN O=C(CN1CCC[C@@H](CO)CC1)NC1CC1 ZINC000378858537 385542189 /nfs/dbraw/zinc/54/21/89/385542189.db2.gz ZJPNMKLLCCURNY-SNVBAGLBSA-N 0 3 226.320 0.359 20 0 BCADHN CCN(CCC(=O)OC)CCc1cncn1C ZINC000297963514 385548970 /nfs/dbraw/zinc/54/89/70/385548970.db2.gz WRKTYFFFQDOQES-UHFFFAOYSA-N 0 3 239.319 0.848 20 0 BCADHN C[C@@H](N)C(=O)NCc1cccc(N(C)C)n1 ZINC000158007679 385542672 /nfs/dbraw/zinc/54/26/72/385542672.db2.gz ZSIYROZAPCWIPL-MRVPVSSYSA-N 0 3 222.292 0.111 20 0 BCADHN CSCC(=O)Nc1ccn(CCN(C)C)n1 ZINC000195084674 385545359 /nfs/dbraw/zinc/54/53/59/385545359.db2.gz SFIFJDSSSFWWGR-UHFFFAOYSA-N 0 3 242.348 0.746 20 0 BCADHN C[C@H](NC[C@@H]1CCC=CO1)C(=O)NCCF ZINC000282251725 385547432 /nfs/dbraw/zinc/54/74/32/385547432.db2.gz BIFQTQMGFJSCRA-UWVGGRQHSA-N 0 3 230.283 0.743 20 0 BCADHN COCc1nsc(N2C[C@H](C)NC[C@H]2C)n1 ZINC000643023055 385519478 /nfs/dbraw/zinc/51/94/78/385519478.db2.gz JNFOUPWSDCUXHL-JGVFFNPUSA-N 0 3 242.348 0.871 20 0 BCADHN CO[C@H](C)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000644812048 385521529 /nfs/dbraw/zinc/52/15/29/385521529.db2.gz BZJUKRYRSLQNJH-OPRDCNLKSA-N 0 3 212.293 0.184 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)c3cnccn3)[C@@H]2C1 ZINC000644812159 385523345 /nfs/dbraw/zinc/52/33/45/385523345.db2.gz COIMOWAIQRHVBF-GXSJLCMTSA-N 0 3 232.287 0.253 20 0 BCADHN COCC(C)(C)NCC(=O)N(C)CC1CC1 ZINC000172191502 385524296 /nfs/dbraw/zinc/52/42/96/385524296.db2.gz MQTLGKJEYDBYKJ-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN [NH3+][C@@H]1CCC[C@@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000643030419 385525208 /nfs/dbraw/zinc/52/52/08/385525208.db2.gz SBBNFHYSMYFKQG-HTQZYQBOSA-N 0 3 232.291 0.408 20 0 BCADHN C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)CCO1 ZINC000644142754 385526050 /nfs/dbraw/zinc/52/60/50/385526050.db2.gz FAVKTQLZASBJHX-ZNSHCXBVSA-N 0 3 244.310 0.618 20 0 BCADHN C[C@H](NC[C@@H]1CCCO1)c1ccc(=O)[nH]n1 ZINC000309427968 385577459 /nfs/dbraw/zinc/57/74/59/385577459.db2.gz KPHBKWUJETXEHZ-IUCAKERBSA-N 0 3 223.276 0.600 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)CCn3cccn3)[C@@H]2C1 ZINC000644813879 385550398 /nfs/dbraw/zinc/55/03/98/385550398.db2.gz DKFGHJXMIXFGLH-NWDGAFQWSA-N 0 3 248.330 0.436 20 0 BCADHN CC(C)N(CC(=O)N(C)C1CC1)C[C@@H](C)O ZINC000107050262 385551267 /nfs/dbraw/zinc/55/12/67/385551267.db2.gz RCPPDSJURPMJLE-SNVBAGLBSA-N 0 3 228.336 0.698 20 0 BCADHN C[C@H](CO)N1CCCN(Cc2ccccn2)CC1 ZINC000364965294 385551497 /nfs/dbraw/zinc/55/14/97/385551497.db2.gz YSEZWEHMTNVXQH-CYBMUJFWSA-N 0 3 249.358 0.970 20 0 BCADHN C[C@H]1[C@H](NCc2nccn2C)CCCN1C ZINC000309383776 385556600 /nfs/dbraw/zinc/55/66/00/385556600.db2.gz DSHTXFANNCNVIO-WDEREUQCSA-N 0 3 222.336 0.992 20 0 BCADHN O=C1CO[C@H]2CCN(CCCCCF)C[C@@H]2N1 ZINC000368501624 385576676 /nfs/dbraw/zinc/57/66/76/385576676.db2.gz BXUHUADCHDYHDL-QWRGUYRKSA-N 0 3 244.310 0.716 20 0 BCADHN CC(C)[C@@H](N)C(=O)NCC[C@H](O)C(C)C ZINC000309389050 385559979 /nfs/dbraw/zinc/55/99/79/385559979.db2.gz FLLIAKCZXGEDSE-VHSXEESVSA-N 0 3 216.325 0.493 20 0 BCADHN CCC[C@](C)(N)C(=O)N1CCNC(=O)C[C@@H]1C ZINC000365004812 385561549 /nfs/dbraw/zinc/56/15/49/385561549.db2.gz BAWWTVDEDBWOLO-CABZTGNLSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@H](CCCO)NC(=O)C(N)C(F)(F)F ZINC000309392960 385562520 /nfs/dbraw/zinc/56/25/20/385562520.db2.gz GDSRSLPEDPGCFQ-PHDIDXHHSA-N 0 3 228.214 0.153 20 0 BCADHN CN1C[C@H]2CCN(C(=O)CC3CC3)[C@H]2C1 ZINC000644815113 385563495 /nfs/dbraw/zinc/56/34/95/385563495.db2.gz OODOCHHFGCSNNF-MNOVXSKESA-N 0 3 208.305 0.949 20 0 BCADHN CCOC(=O)CCNC(=O)[C@H]1NCC1(C)C ZINC000592061031 385566748 /nfs/dbraw/zinc/56/67/48/385566748.db2.gz MMOZYCDZLHXNGS-SECBINFHSA-N 0 3 228.292 0.054 20 0 BCADHN CC[C@@H](C)N1CCC[C@@H]1CS(=O)(=O)NC ZINC000337316928 385593931 /nfs/dbraw/zinc/59/39/31/385593931.db2.gz KYPCMUWXNSSIHL-NXEZZACHSA-N 0 3 234.365 0.799 20 0 BCADHN CO[C@H](C)[C@H](C)N[C@H]1CCN(C2CC2)C1=O ZINC000309464052 385594126 /nfs/dbraw/zinc/59/41/26/385594126.db2.gz OSVQKCQMISGSCZ-NGZCFLSTSA-N 0 3 226.320 0.763 20 0 BCADHN C[C@H](NC[C@@]1(O)CCSC1)c1cnccn1 ZINC000309467128 385595281 /nfs/dbraw/zinc/59/52/81/385595281.db2.gz QDXVMCOIPUDJLR-ONGXEEELSA-N 0 3 239.344 0.995 20 0 BCADHN CCC[C@H](C)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000337326467 385598644 /nfs/dbraw/zinc/59/86/44/385598644.db2.gz WDQNGDFFFHOCIY-DTWKUNHWSA-N 0 3 220.338 0.538 20 0 BCADHN CCc1cc(OC)ccc1CNC(CO)CO ZINC000337330544 385599005 /nfs/dbraw/zinc/59/90/05/385599005.db2.gz GPMNZZALFBEZRL-UHFFFAOYSA-N 0 3 239.315 0.700 20 0 BCADHN CO[C@H](C)CCC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000644816915 385599427 /nfs/dbraw/zinc/59/94/27/385599427.db2.gz XWKOKDIOKWGDHD-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CC[C@H](C)[C@@H](C)C(=O)N[C@@H](CO)CN(C)C ZINC000647710893 385604802 /nfs/dbraw/zinc/60/48/02/385604802.db2.gz TZWIBVCUZORGIT-HBNTYKKESA-N 0 3 230.352 0.707 20 0 BCADHN CC(C)[C@H](O)CNC1(C(N)=O)CCCCC1 ZINC000336676744 385605016 /nfs/dbraw/zinc/60/50/16/385605016.db2.gz PZGOAAFWHDUAHB-SNVBAGLBSA-N 0 3 228.336 0.781 20 0 BCADHN Cc1nc(CN2CCC[C@@H]2C[C@@H](C)O)n[nH]1 ZINC000309430538 385580489 /nfs/dbraw/zinc/58/04/89/385580489.db2.gz ZDJDGAUCIIHUJL-PSASIEDQSA-N 0 3 224.308 0.848 20 0 BCADHN Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)C[NH3+])c1 ZINC000082578216 385581066 /nfs/dbraw/zinc/58/10/66/385581066.db2.gz UKQSAVYGPAGYFT-MRVPVSSYSA-N 0 3 246.307 0.760 20 0 BCADHN COC[C@H](N[C@@H]1CCO[C@H]1C)[C@@H]1CCCO1 ZINC000309437478 385581795 /nfs/dbraw/zinc/58/17/95/385581795.db2.gz HQDRDXVAOVPZKO-USZNOCQGSA-N 0 3 229.320 0.947 20 0 BCADHN CCCCNC(=O)CCN(C)C(C)(C)C(N)=O ZINC000411767591 385605745 /nfs/dbraw/zinc/60/57/45/385605745.db2.gz GBQQVVOAYYFPNZ-UHFFFAOYSA-N 0 3 243.351 0.489 20 0 BCADHN CCC[C@H](C)N1CCC(S(N)(=O)=O)CC1 ZINC000337291880 385587735 /nfs/dbraw/zinc/58/77/35/385587735.db2.gz FKDLHWQXFMAUKZ-VIFPVBQESA-N 0 3 234.365 0.928 20 0 BCADHN COC[C@@H](C)N[C@@H](CCSC)C(=O)N(C)C ZINC000309453740 385591773 /nfs/dbraw/zinc/59/17/73/385591773.db2.gz LUGMIEFQIIBEMV-ZJUUUORDSA-N 0 3 248.392 0.821 20 0 BCADHN Cn1cccc1CN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281107941 385636187 /nfs/dbraw/zinc/63/61/87/385636187.db2.gz AZLUPCIFHKMSIT-PWSUYJOCSA-N 0 3 249.314 0.955 20 0 BCADHN Cc1nnccc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644820800 385616299 /nfs/dbraw/zinc/61/62/99/385616299.db2.gz ZVMTWEOBVDGFII-PWSUYJOCSA-N 0 3 246.314 0.561 20 0 BCADHN C[C@H](N)C(=O)N1CCNc2ccccc21 ZINC000309493772 385616722 /nfs/dbraw/zinc/61/67/22/385616722.db2.gz STRDTMIWGNMSJX-QMMMGPOBSA-N 0 3 205.261 0.792 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2cnns2)CCN1C ZINC000408180266 385617886 /nfs/dbraw/zinc/61/78/86/385617886.db2.gz ORTINPUWFHQEBP-HTQZYQBOSA-N 0 3 240.332 0.751 20 0 BCADHN Cc1nc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c[nH]1 ZINC000644817413 385618850 /nfs/dbraw/zinc/61/88/50/385618850.db2.gz HYEYQZABNBBMDV-GXSJLCMTSA-N 0 3 234.303 0.494 20 0 BCADHN CC(C)CCOCCN(CCO)C[C@@H](C)O ZINC000309490395 385619156 /nfs/dbraw/zinc/61/91/56/385619156.db2.gz YBTJKAFWVOEUIH-GFCCVEGCSA-N 0 3 233.352 0.724 20 0 BCADHN CCCCNC(=O)CCOC1CNC1 ZINC000336651345 385621887 /nfs/dbraw/zinc/62/18/87/385621887.db2.gz UUHSAJBWFBXKDD-UHFFFAOYSA-N 0 3 200.282 0.281 20 0 BCADHN C[C@H](CN[C@H](C)c1cn[nH]c1)N1CCOCC1 ZINC000280953189 385622738 /nfs/dbraw/zinc/62/27/38/385622738.db2.gz IXQDHCCCXXVNQH-GHMZBOCLSA-N 0 3 238.335 0.781 20 0 BCADHN COCC(C)(C)NCC(=O)NCC1CCC1 ZINC000066665259 385622837 /nfs/dbraw/zinc/62/28/37/385622837.db2.gz PTYXPCROTQDJJI-UHFFFAOYSA-N 0 3 228.336 0.917 20 0 BCADHN C[C@H](CNCc1ncc[nH]1)N(C)C1CC1 ZINC000066594042 385622861 /nfs/dbraw/zinc/62/28/61/385622861.db2.gz MVVOHHVLSHIVTG-SECBINFHSA-N 0 3 208.309 0.982 20 0 BCADHN C[C@H](NC(=O)NCCF)C1=CCN(C)CC1 ZINC000281022940 385628636 /nfs/dbraw/zinc/62/86/36/385628636.db2.gz PSIRRCJKSMQATN-VIFPVBQESA-N 0 3 229.299 0.906 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(C)C2)CO1 ZINC000645201969 385628754 /nfs/dbraw/zinc/62/87/54/385628754.db2.gz NHQWNLGYWMKPBB-MXWKQRLJSA-N 0 3 241.335 0.557 20 0 BCADHN Cc1cnc(CNC[C@H]2CCC[C@H]2O)n1C ZINC000336736899 385629039 /nfs/dbraw/zinc/62/90/39/385629039.db2.gz NDMGJNKCYHOAII-GHMZBOCLSA-N 0 3 223.320 0.979 20 0 BCADHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1nc[nH]n1 ZINC000269552511 385606973 /nfs/dbraw/zinc/60/69/73/385606973.db2.gz OOZAJCMPZAYPIX-VHSXEESVSA-N 0 3 249.318 0.504 20 0 BCADHN C[C@@]1(C(N)=O)CCN(C/C=C/Cl)C1 ZINC000280820566 385608361 /nfs/dbraw/zinc/60/83/61/385608361.db2.gz USKMCKNNJUUDPH-HDMKULJXSA-N 0 3 202.685 0.936 20 0 BCADHN CCCCOCCNC(=O)[C@@H](N)CC(F)F ZINC000336677236 385608626 /nfs/dbraw/zinc/60/86/26/385608626.db2.gz WAAUTXPYHLBSLR-QMMMGPOBSA-N 0 3 238.278 0.902 20 0 BCADHN COC[C@H](N[C@@H]1CCCN(C)C1=O)C1CC1 ZINC000309484049 385610008 /nfs/dbraw/zinc/61/00/08/385610008.db2.gz USSWOKIYCNZACR-MNOVXSKESA-N 0 3 226.320 0.622 20 0 BCADHN CC[C@@](C)(N)c1cn(CC(=O)OC)nn1 ZINC000594642999 385610657 /nfs/dbraw/zinc/61/06/57/385610657.db2.gz DGSQTOAHWJWEIO-SECBINFHSA-N 0 3 212.253 0.035 20 0 BCADHN Cn1ccc(CN[C@@H](CO)[C@@H]2CCCO2)c1 ZINC000309487812 385610697 /nfs/dbraw/zinc/61/06/97/385610697.db2.gz HFLFLURAXWPZHR-RYUDHWBXSA-N 0 3 224.304 0.655 20 0 BCADHN CCOC[C@H](O)CN(C)C[C@H](C)OC ZINC000336650297 385612710 /nfs/dbraw/zinc/61/27/10/385612710.db2.gz AOHIZYMUKBIOOT-VHSXEESVSA-N 0 3 205.298 0.351 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)Cc3ccnn3C)[C@@H]2C1 ZINC000644817346 385613310 /nfs/dbraw/zinc/61/33/10/385613310.db2.gz DOTZOQFYLLPHIJ-CMPLNLGQSA-N 0 3 248.330 0.125 20 0 BCADHN C[C@@H]1CNCCN1C(=O)[C@@H]1CNCCC1(F)F ZINC000647711452 385613550 /nfs/dbraw/zinc/61/35/50/385613550.db2.gz USFGDSBQEXNYRO-BDAKNGLRSA-N 0 3 247.289 0.052 20 0 BCADHN C[C@@H](CNC(=O)CN(C)C)N1CCCC[C@H]1C ZINC000340073796 385637414 /nfs/dbraw/zinc/63/74/14/385637414.db2.gz OJEDVILVKPYPCB-NEPJUHHUSA-N 0 3 241.379 0.927 20 0 BCADHN Cc1nnccc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000269836626 385639655 /nfs/dbraw/zinc/63/96/55/385639655.db2.gz APKRCUAVBQJZNE-SECBINFHSA-N 0 3 248.330 0.998 20 0 BCADHN CN(C[C@H]1CN(C)C(=O)O1)CC(C)(C)O ZINC000495656147 385645355 /nfs/dbraw/zinc/64/53/55/385645355.db2.gz XTRFCMDLDAAEIA-QMMMGPOBSA-N 0 3 216.281 0.140 20 0 BCADHN CCN(CC)CC(=O)NC(C)(C)CC(N)=O ZINC000337418089 385645777 /nfs/dbraw/zinc/64/57/77/385645777.db2.gz SLNDOMGXCAIFEK-UHFFFAOYSA-N 0 3 229.324 0.098 20 0 BCADHN C[C@@H](N)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000057527020 385649098 /nfs/dbraw/zinc/64/90/98/385649098.db2.gz SMAIPFVBCKMJCU-MRVPVSSYSA-N 0 3 236.271 0.421 20 0 BCADHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)n(C)n1 ZINC000644823322 385649261 /nfs/dbraw/zinc/64/92/61/385649261.db2.gz NNKAKADWQNDXES-JQWIXIFHSA-N 0 3 248.330 0.505 20 0 BCADHN CC(C)[C@@H](O)CN1CCCC[C@]1(C)C(N)=O ZINC000366591369 385649688 /nfs/dbraw/zinc/64/96/88/385649688.db2.gz LATDLMCLSSXFOH-CMPLNLGQSA-N 0 3 228.336 0.733 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)N[C@H]1CC1(C)C ZINC000337405008 385650054 /nfs/dbraw/zinc/65/00/54/385650054.db2.gz LIXVFUVXIWYNAU-JOYOIKCWSA-N 0 3 243.351 0.397 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)COCC(F)(F)F ZINC000336652229 385651290 /nfs/dbraw/zinc/65/12/90/385651290.db2.gz FPVCKMZKNRJNFS-NTSWFWBYSA-N 0 3 228.214 0.417 20 0 BCADHN CCN1C[C@H](N[C@@H](C)[C@H]2CCCO2)CC1=O ZINC000391514815 385651349 /nfs/dbraw/zinc/65/13/49/385651349.db2.gz QADNHRNZJWJDHB-HBNTYKKESA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H]1CC(O)C[C@@H](C)N1C[C@@H]1CN(C)C(=O)O1 ZINC000495663050 385652941 /nfs/dbraw/zinc/65/29/41/385652941.db2.gz ZKJKLBUEQBZPDF-KKZNHRDASA-N 0 3 242.319 0.671 20 0 BCADHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)N(C)C)C1(C)C ZINC000309521871 385658740 /nfs/dbraw/zinc/65/87/40/385658740.db2.gz CEGUIQAXSGRCEI-JMJZKYOTSA-N 0 3 228.336 0.724 20 0 BCADHN CCO[C@H](C)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000644824740 385664020 /nfs/dbraw/zinc/66/40/20/385664020.db2.gz ZHGWWPUWXVQWJL-VWYCJHECSA-N 0 3 226.320 0.574 20 0 BCADHN CN1C[C@H]2CCN(C(=O)c3cncnc3)[C@@H]2C1 ZINC000644819675 385674246 /nfs/dbraw/zinc/67/42/46/385674246.db2.gz SPBYUYCFNQKWIZ-MWLCHTKSSA-N 0 3 232.287 0.253 20 0 BCADHN C[C@H](Cn1cccn1)NC[C@H](C)S(C)(=O)=O ZINC000309540963 385674443 /nfs/dbraw/zinc/67/44/43/385674443.db2.gz FWNWGTWMEZNJOS-ZJUUUORDSA-N 0 3 245.348 0.294 20 0 BCADHN CN(C)c1ncc(CN[C@@]2(C)CCOC2)cn1 ZINC000270142204 385675440 /nfs/dbraw/zinc/67/54/40/385675440.db2.gz RDKAXZXECHYLTH-LBPRGKRZSA-N 0 3 236.319 0.811 20 0 BCADHN CC[C@@H](COC)NC(=O)[C@]1(F)CCNC1 ZINC000309537121 385676172 /nfs/dbraw/zinc/67/61/72/385676172.db2.gz XHZLTHLCVUSLHQ-WPRPVWTQSA-N 0 3 218.272 0.229 20 0 BCADHN COC(=O)[C@H]1CN(CCO)CC12CCC2 ZINC000365710170 385676154 /nfs/dbraw/zinc/67/61/54/385676154.db2.gz GQHVWRJUFVXSKJ-SECBINFHSA-N 0 3 213.277 0.254 20 0 BCADHN CCN(CC)CC(=O)N(CC)CCCO ZINC000337474012 385676341 /nfs/dbraw/zinc/67/63/41/385676341.db2.gz SLYSCJZIEBLYEB-UHFFFAOYSA-N 0 3 216.325 0.559 20 0 BCADHN CCN(CCO)CCNCc1ccco1 ZINC000184548733 385676733 /nfs/dbraw/zinc/67/67/33/385676733.db2.gz LIWOEIGCVAKZCK-UHFFFAOYSA-N 0 3 212.293 0.683 20 0 BCADHN CCN(CC)CC(=O)NCCC[C@@H](C)CO ZINC000337476584 385679580 /nfs/dbraw/zinc/67/95/80/385679580.db2.gz UIJMRFOMXUZUEY-LLVKDONJSA-N 0 3 230.352 0.853 20 0 BCADHN CCN(CC)CC(=O)NCCN1CCCC1 ZINC000337474879 385680501 /nfs/dbraw/zinc/68/05/01/385680501.db2.gz XPNWYAHSFRKLGA-UHFFFAOYSA-N 0 3 227.352 0.540 20 0 BCADHN CSCCN(C)[C@@]1(CO)CCOC1 ZINC000336653486 385681467 /nfs/dbraw/zinc/68/14/67/385681467.db2.gz MFAYBHOYBYQDFC-SECBINFHSA-N 0 3 205.323 0.433 20 0 BCADHN C[C@@H](NCC(=O)NCC(F)F)[C@@H]1CCCO1 ZINC000309552297 385683338 /nfs/dbraw/zinc/68/33/38/385683338.db2.gz IQBZSKCTMIZFCU-SFYZADRCSA-N 0 3 236.262 0.525 20 0 BCADHN CC(C)n1cnc(C(=O)NCCN(C)C)c1 ZINC000281631182 385689616 /nfs/dbraw/zinc/68/96/16/385689616.db2.gz ZEKKMEYXXHFXIE-UHFFFAOYSA-N 0 3 224.308 0.755 20 0 BCADHN COC[C@H](C)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000309561123 385692355 /nfs/dbraw/zinc/69/23/55/385692355.db2.gz LCBDFWRGSKBANV-MMWGEVLESA-N 0 3 226.320 0.620 20 0 BCADHN CC[C@H](O)CNCc1c(C)nn(C)c1OC ZINC000229969304 385693978 /nfs/dbraw/zinc/69/39/78/385693978.db2.gz TYRQBNZHTLCBKJ-VIFPVBQESA-N 0 3 227.308 0.598 20 0 BCADHN O=C1CCC[C@H](CNCc2cc[nH]c2)N1 ZINC000336735324 385694608 /nfs/dbraw/zinc/69/46/08/385694608.db2.gz OBBXJRKAQDDKGW-SNVBAGLBSA-N 0 3 207.277 0.773 20 0 BCADHN CCN(CC)CC(=O)NC1(CC(N)=O)CCC1 ZINC000337517293 385699574 /nfs/dbraw/zinc/69/95/74/385699574.db2.gz JZNFLVDWEHWJRL-UHFFFAOYSA-N 0 3 241.335 0.243 20 0 BCADHN CCN(CC)CC(=O)N1CC(C)(COC)C1 ZINC000337557373 385701872 /nfs/dbraw/zinc/70/18/72/385701872.db2.gz KNHDSYKYNQGFJJ-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN CN(C)CC1(NC(=O)c2cnn(C)c2)CCC1 ZINC000281807179 385703227 /nfs/dbraw/zinc/70/32/27/385703227.db2.gz UKSCCIMTSPNOBU-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN C[C@@H](Cn1cncn1)NCc1cncn1C ZINC000309576017 385708616 /nfs/dbraw/zinc/70/86/16/385708616.db2.gz OXUITXLPXDVXEE-VIFPVBQESA-N 0 3 220.280 0.190 20 0 BCADHN CO[C@@H]1[C@H](C)[C@@H](N[C@H]2CCNC2=O)C1(C)C ZINC000309575992 385709585 /nfs/dbraw/zinc/70/95/85/385709585.db2.gz OXDWFQSFCVOZJO-UTINFBMNSA-N 0 3 226.320 0.524 20 0 BCADHN C[C@H](N[C@@H]1Cc2cccc(O)c2C1)C(N)=O ZINC000309588369 385713492 /nfs/dbraw/zinc/71/34/92/385713492.db2.gz SWXVZGJTUGOSJX-IONNQARKSA-N 0 3 220.272 0.323 20 0 BCADHN CC(C)=CCN1CCC2(CC1)NC(=O)NC2=O ZINC000270530723 385713964 /nfs/dbraw/zinc/71/39/64/385713964.db2.gz OKOPVLRFVBCWEC-UHFFFAOYSA-N 0 3 237.303 0.627 20 0 BCADHN CC(C)=CC[NH+]1CCC2(CC1)NC(=O)[N-]C2=O ZINC000270530723 385713968 /nfs/dbraw/zinc/71/39/68/385713968.db2.gz OKOPVLRFVBCWEC-UHFFFAOYSA-N 0 3 237.303 0.627 20 0 BCADHN C[C@H](CNC(=O)c1cc[nH]c(=O)c1)N(C)C ZINC000230175180 385715372 /nfs/dbraw/zinc/71/53/72/385715372.db2.gz GVBPETDPIFBZAJ-MRVPVSSYSA-N 0 3 223.276 0.055 20 0 BCADHN CCN(CC)CC(=O)NCCC1CC(O)C1 ZINC000337581078 385715476 /nfs/dbraw/zinc/71/54/76/385715476.db2.gz BUIKVTHNNNMAMM-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN CCN(CC)CC(=O)NCCC[C@H](C)O ZINC000337576216 385716183 /nfs/dbraw/zinc/71/61/83/385716183.db2.gz WWYMFHYKSFFJGO-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN COCCCCC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644824797 385666687 /nfs/dbraw/zinc/66/66/87/385666687.db2.gz ZWYNRDJAJRGDOE-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@H](C)[C@H]1CO ZINC000337459773 385668276 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DXCRBQAMAYFJHZ-UHFFFAOYSA-N 0 3 241.335 0.243 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCOC1)N1CCCC1 ZINC000521409296 385752361 /nfs/dbraw/zinc/75/23/61/385752361.db2.gz IXGVEYJYWONDPO-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN O=C1NC[C@H](CN2CCC[C@@]23CCOC3)O1 ZINC000367456377 385760903 /nfs/dbraw/zinc/76/09/03/385760903.db2.gz BPYLIVGXLBTZBW-KOLCDFICSA-N 0 3 226.276 0.350 20 0 BCADHN CC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183446144 385762780 /nfs/dbraw/zinc/76/27/80/385762780.db2.gz WWTFTWVIOJYKCN-AWEZNQCLSA-N 0 3 248.326 0.889 20 0 BCADHN C/C=C/C[C@H](CO)N[C@@H]1CCCS(=O)(=O)C1 ZINC000186510327 385763569 /nfs/dbraw/zinc/76/35/69/385763569.db2.gz RPLXXPGBPXLREO-WUNPDAOYSA-N 0 3 247.360 0.480 20 0 BCADHN CCSCCNCC(=O)NCC1CC1 ZINC000336702530 385768846 /nfs/dbraw/zinc/76/88/46/385768846.db2.gz ZFXHRANFLJATIP-UHFFFAOYSA-N 0 3 216.350 0.855 20 0 BCADHN C[C@@H](NC(=O)c1cnnn1C)C1=CCN(C)CC1 ZINC000282530182 385768999 /nfs/dbraw/zinc/76/89/99/385768999.db2.gz YSMCISGHTGJOER-SECBINFHSA-N 0 3 249.318 0.195 20 0 BCADHN COC[C@@](C)(CCO)NCc1cncn1C ZINC000309652682 385770078 /nfs/dbraw/zinc/77/00/78/385770078.db2.gz ORXKQVDNKJMUDW-LLVKDONJSA-N 0 3 227.308 0.297 20 0 BCADHN COCC1(NC(=O)/C=C\CN(C)C)CCC1 ZINC000492786348 533145734 /nfs/dbraw/zinc/14/57/34/533145734.db2.gz AGISSLCVSHVBPD-XQRVVYSFSA-N 0 3 226.320 0.790 20 0 BCADHN COC[C@@H](CC(C)C)N[C@H]1CC(=O)N(C)C1 ZINC000309665301 385775694 /nfs/dbraw/zinc/77/56/94/385775694.db2.gz SYFORBUNHZGOFV-WDEREUQCSA-N 0 3 228.336 0.868 20 0 BCADHN C[C@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CCO1 ZINC000647915791 385779652 /nfs/dbraw/zinc/77/96/52/385779652.db2.gz UKHOHDBGSVVFKD-DTWKUNHWSA-N 0 3 248.273 0.479 20 0 BCADHN C[C@@H](O)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000281994662 385722758 /nfs/dbraw/zinc/72/27/58/385722758.db2.gz NCXDELPUWCHDNZ-NXEZZACHSA-N 0 3 209.293 0.970 20 0 BCADHN Cn1ncnc1C(=O)NC[C@@H](N)c1ccccc1 ZINC000623056821 385723137 /nfs/dbraw/zinc/72/31/37/385723137.db2.gz OJROZNKUNMGJSA-SNVBAGLBSA-N 0 3 245.286 0.245 20 0 BCADHN CCN(CCCO)Cc1cnc2cnccn12 ZINC000271183017 385801333 /nfs/dbraw/zinc/80/13/33/385801333.db2.gz ILOJKDFXMMPZIG-UHFFFAOYSA-N 0 3 234.303 0.934 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@H](C)CN(C)C ZINC000336712531 385801786 /nfs/dbraw/zinc/80/17/86/385801786.db2.gz UZEYGKCFDCBZLU-VHSXEESVSA-N 0 3 236.381 0.207 20 0 BCADHN COC[C@@H]1CCN(Cc2ccnn2C)C1 ZINC000271192965 385803254 /nfs/dbraw/zinc/80/32/54/385803254.db2.gz QCYLIMKGJSWXDE-SNVBAGLBSA-N 0 3 209.293 0.888 20 0 BCADHN C[C@@H](Cn1cccn1)N[C@H]1CC(=O)N(C)C1 ZINC000336737587 385805360 /nfs/dbraw/zinc/80/53/60/385805360.db2.gz JPUYSWUEBWSPLK-UWVGGRQHSA-N 0 3 222.292 0.092 20 0 BCADHN CC[C@H](CCO)N[C@@H](C)CS(=O)(=O)CC ZINC000162281848 385805985 /nfs/dbraw/zinc/80/59/85/385805985.db2.gz PYNHFXBVCVDKBQ-VHSXEESVSA-N 0 3 237.365 0.560 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cc(F)c[nH]1 ZINC000294119970 385808810 /nfs/dbraw/zinc/80/88/10/385808810.db2.gz TVMYVHRGJLSNDP-ZETCQYMHSA-N 0 3 213.256 0.834 20 0 BCADHN CN(C)CCn1nccc1NC(=O)c1cn[nH]c1 ZINC000294125039 385809996 /nfs/dbraw/zinc/80/99/96/385809996.db2.gz PWXMITBTVNDXDW-UHFFFAOYSA-N 0 3 248.290 0.420 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)C=Cc1c[nH]cn1 ZINC000283130630 385810470 /nfs/dbraw/zinc/81/04/70/385810470.db2.gz NKVOVMVHLBUKDA-ZZXKWVIFSA-N 0 3 248.330 0.976 20 0 BCADHN C[C@@H](CC(N)=O)NCc1cnccc1N(C)C ZINC000353198663 385810934 /nfs/dbraw/zinc/81/09/34/385810934.db2.gz UUFOVEBTGYAUOL-VIFPVBQESA-N 0 3 236.319 0.501 20 0 BCADHN CN1CC=C(CNC(=O)C=Cc2c[nH]cn2)CC1 ZINC000283159026 385813190 /nfs/dbraw/zinc/81/31/90/385813190.db2.gz OXALUPPTKHSEEH-NSCUHMNNSA-N 0 3 246.314 0.801 20 0 BCADHN CC(C)CC[C@H](N)C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000638540912 385815364 /nfs/dbraw/zinc/81/53/64/385815364.db2.gz CEWWKYUPRXEFTC-GUBZILKMSA-N 0 3 241.335 0.130 20 0 BCADHN CNC(=O)CN(C)CC1(N(C)C)CCC1 ZINC000186945164 385817036 /nfs/dbraw/zinc/81/70/36/385817036.db2.gz PAWKQTIHQBQAMP-UHFFFAOYSA-N 0 3 213.325 0.149 20 0 BCADHN O=S(=O)(CCCF)N[C@H]1CCCNC1 ZINC000122894396 385823572 /nfs/dbraw/zinc/82/35/72/385823572.db2.gz KLDQNCLEHWSZTJ-QMMMGPOBSA-N 0 3 224.301 0.017 20 0 BCADHN CC[C@@H]1CN(Cc2ccnn2C)C[C@H]1O ZINC000271404904 385826135 /nfs/dbraw/zinc/82/61/35/385826135.db2.gz WKJCPXKWRHOHTK-MWLCHTKSSA-N 0 3 209.293 0.623 20 0 BCADHN CN1CCC(Nc2nc(C(N)=O)cs2)CC1 ZINC000292557736 385827084 /nfs/dbraw/zinc/82/70/84/385827084.db2.gz SBVOKDHSZGFNNI-UHFFFAOYSA-N 0 3 240.332 0.748 20 0 BCADHN COC[C@H](Cc1ccccc1)NC(=O)[C@H](C)N ZINC000340182684 385827092 /nfs/dbraw/zinc/82/70/92/385827092.db2.gz DBKAOVOHSXWKTM-JQWIXIFHSA-N 0 3 236.315 0.708 20 0 BCADHN Cc1noc2ncc(NC(=O)[C@@H](C)N)cc12 ZINC000261802791 385829291 /nfs/dbraw/zinc/82/92/91/385829291.db2.gz LDPRDZQLPSJWRB-RXMQYKEDSA-N 0 3 220.232 0.817 20 0 BCADHN CN(C)CCn1nccc1NC(=O)NC1CC1 ZINC000294280560 385831188 /nfs/dbraw/zinc/83/11/88/385831188.db2.gz RYHUQLOJZJSOKP-UHFFFAOYSA-N 0 3 237.307 0.729 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000365897955 385832003 /nfs/dbraw/zinc/83/20/03/385832003.db2.gz SGOMCUIMVWXQRY-UTUOFQBUSA-N 0 3 240.347 0.556 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@H](OCc2ccccn2)C1 ZINC000261872150 385832271 /nfs/dbraw/zinc/83/22/71/385832271.db2.gz QWUXPXKVWILTKK-PWSUYJOCSA-N 0 3 249.314 0.546 20 0 BCADHN CCCCN(C)CCNC(=O)N1CCOCC1 ZINC000112384492 385834063 /nfs/dbraw/zinc/83/40/63/385834063.db2.gz DYJJYXUNAWYZAV-UHFFFAOYSA-N 0 3 243.351 0.760 20 0 BCADHN CN1CC=C(CNC(=O)c2cnc[nH]2)CC1 ZINC000271898157 385858218 /nfs/dbraw/zinc/85/82/18/385858218.db2.gz PMVXMNYQSSGIFZ-UHFFFAOYSA-N 0 3 220.276 0.401 20 0 BCADHN CCCCN(C)CCNC(=O)CCOC ZINC000112309869 385837070 /nfs/dbraw/zinc/83/70/70/385837070.db2.gz LBUAOBZSSSMDFG-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN CN(C)CCNC(=O)c1cccc(F)n1 ZINC000122939253 385837259 /nfs/dbraw/zinc/83/72/59/385837259.db2.gz DFAIUJHQKLADMA-UHFFFAOYSA-N 0 3 211.240 0.512 20 0 BCADHN CCCCN(C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC000112309531 385837797 /nfs/dbraw/zinc/83/77/97/385837797.db2.gz WSDJTTIOKVVSFF-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN Cc1cc(C2CCN(CCO)CC2)n[nH]1 ZINC000271566634 385838837 /nfs/dbraw/zinc/83/88/37/385838837.db2.gz AVAOVJRDMUZFDS-UHFFFAOYSA-N 0 3 209.293 0.890 20 0 BCADHN Cc1cc(C2CCN(CCO)CC2)[nH]n1 ZINC000271566634 385838838 /nfs/dbraw/zinc/83/88/38/385838838.db2.gz AVAOVJRDMUZFDS-UHFFFAOYSA-N 0 3 209.293 0.890 20 0 BCADHN CCN(CC)CC(=O)NCC1(C)COC1 ZINC000112693830 385843024 /nfs/dbraw/zinc/84/30/24/385843024.db2.gz KJBZESJMVXQMHD-UHFFFAOYSA-N 0 3 214.309 0.481 20 0 BCADHN CC(C)N(C)CC(=O)NCC1(C)COC1 ZINC000112693396 385843481 /nfs/dbraw/zinc/84/34/81/385843481.db2.gz FDYOPSIKWSCDJB-UHFFFAOYSA-N 0 3 214.309 0.479 20 0 BCADHN O=C1CCCN1C[C@H](NCCO)c1ccccc1 ZINC000271658547 385843944 /nfs/dbraw/zinc/84/39/44/385843944.db2.gz GFSVALDLLHTAJD-ZDUSSCGKSA-N 0 3 248.326 0.932 20 0 BCADHN CCCCN(C)CCNC(=O)NC[C@@H](C)CO ZINC000112465160 385845290 /nfs/dbraw/zinc/84/52/90/385845290.db2.gz QWBADCFXDGIVBU-LLVKDONJSA-N 0 3 245.367 0.646 20 0 BCADHN CC(C)OCCNC(=O)NC[C@H]1CCCN1C ZINC000183686078 385847587 /nfs/dbraw/zinc/84/75/87/385847587.db2.gz IXSFOLMTADTXCV-LLVKDONJSA-N 0 3 243.351 0.805 20 0 BCADHN CN(C)CCN(C)C(=O)c1cccc(F)n1 ZINC000122992533 385847945 /nfs/dbraw/zinc/84/79/45/385847945.db2.gz UGRCCUSXDOYSDI-UHFFFAOYSA-N 0 3 225.267 0.854 20 0 BCADHN CN(CCNC(=O)c1cnn2c1CCC2)C1CC1 ZINC000294421435 385848356 /nfs/dbraw/zinc/84/83/56/385848356.db2.gz FVRYUIMGQCPDQU-UHFFFAOYSA-N 0 3 248.330 0.653 20 0 BCADHN CS[C@H]1CN(Cc2ncc[nH]2)C[C@@H]1N(C)C ZINC000271791166 385851193 /nfs/dbraw/zinc/85/11/93/385851193.db2.gz AIDGNQIPCNEYPV-UWVGGRQHSA-N 0 3 240.376 0.887 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)C=Cc1c[nH]cn1 ZINC000284156395 385854339 /nfs/dbraw/zinc/85/43/39/385854339.db2.gz WYJGSYWPBUVEKN-FYJFLYSWSA-N 0 3 248.330 0.976 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CO)N(C)C ZINC000413667184 385855899 /nfs/dbraw/zinc/85/58/99/385855899.db2.gz HSROTZVRUJHLMZ-IJLUTSLNSA-N 0 3 242.363 0.946 20 0 BCADHN CSCCCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188599491 385793174 /nfs/dbraw/zinc/79/31/74/385793174.db2.gz BXLYPIPTZSDPLK-DTWKUNHWSA-N 0 3 234.340 0.946 20 0 BCADHN C[C@](O)(CN1CC[C@@H](CO)C1)C(F)(F)F ZINC000336709688 385793964 /nfs/dbraw/zinc/79/39/64/385793964.db2.gz SRDQSGJRQRGHLM-SFYZADRCSA-N 0 3 227.226 0.614 20 0 BCADHN COCC[C@@](C)(O)CN[C@H](C)c1cn[nH]c1 ZINC000284182798 385856182 /nfs/dbraw/zinc/85/61/82/385856182.db2.gz RCXDIZUQORRPDZ-MWLCHTKSSA-N 0 3 227.308 0.848 20 0 BCADHN C[C@H]1NCCN(C(=O)c2cccnc2)[C@H]1C ZINC000071521327 385795142 /nfs/dbraw/zinc/79/51/42/385795142.db2.gz UQIADXOQHFZVAS-ZJUUUORDSA-N 0 3 219.288 0.904 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)CCn1cccn1 ZINC000294692678 385883574 /nfs/dbraw/zinc/88/35/74/385883574.db2.gz AITBFLCPDUPEOF-SNVBAGLBSA-N 0 3 236.319 0.482 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@@H](C)C(C)(C)O)N(C)C ZINC000413833512 385887839 /nfs/dbraw/zinc/88/78/39/385887839.db2.gz OBEWJDRAXNBVHA-UWVGGRQHSA-N 0 3 230.352 0.944 20 0 BCADHN COC[C@H](O)CN1CC2(C1)CCOCC2 ZINC000123423151 385887862 /nfs/dbraw/zinc/88/78/62/385887862.db2.gz IHZQAVHARRAUSV-SNVBAGLBSA-N 0 3 215.293 0.106 20 0 BCADHN CC(C)[C@@H](N)C(=O)N1CCN2CCC1CC2 ZINC000335036962 385928662 /nfs/dbraw/zinc/92/86/62/385928662.db2.gz XYUWOFJQELNSHA-LLVKDONJSA-N 0 3 225.336 0.276 20 0 BCADHN CCN1CC[C@H](NC(=O)N(C)[C@H](C)COC)C1 ZINC000413814036 385888931 /nfs/dbraw/zinc/88/89/31/385888931.db2.gz FHGYQMFKAORDMQ-MNOVXSKESA-N 0 3 243.351 0.757 20 0 BCADHN CC1(C)CNCCN1C(=O)c1ccc(N)cn1 ZINC000647841272 385889057 /nfs/dbraw/zinc/88/90/57/385889057.db2.gz FQCWLPDSHMSAJZ-UHFFFAOYSA-N 0 3 234.303 0.488 20 0 BCADHN Cc1cc(CC(=O)N2CCNCC2(C)C)[nH]n1 ZINC000647840948 385889499 /nfs/dbraw/zinc/88/94/99/385889499.db2.gz RDHSCMJLJSXQMZ-UHFFFAOYSA-N 0 3 236.319 0.471 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H]1COC)N(C)C ZINC000413817270 385891152 /nfs/dbraw/zinc/89/11/52/385891152.db2.gz LKFVJVLKMSVGCI-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN COC[C@@H](O)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000123574809 385893449 /nfs/dbraw/zinc/89/34/49/385893449.db2.gz IMKMDUVZXHDILX-AXFHLTTASA-N 0 3 216.325 0.018 20 0 BCADHN CN(C)CCNC(=O)Nc1nnc2ccccn21 ZINC000272328512 385894367 /nfs/dbraw/zinc/89/43/67/385894367.db2.gz CZAJWESIROPSEN-UHFFFAOYSA-N 0 3 248.290 0.412 20 0 BCADHN CCN1CC[C@@H](NC(=O)NC[C@@H](C)CO)C1 ZINC000413825961 385895102 /nfs/dbraw/zinc/89/51/02/385895102.db2.gz ACOATKHASOWFEX-NXEZZACHSA-N 0 3 229.324 0.008 20 0 BCADHN CCN(C)CCNC(=O)c1nc(C)oc1C ZINC000294793877 385898332 /nfs/dbraw/zinc/89/83/32/385898332.db2.gz ONDVTNVGJHSIKK-UHFFFAOYSA-N 0 3 225.292 0.973 20 0 BCADHN Cc1ccc(C(=O)NCCN2CCCC2)c(=O)[nH]1 ZINC000338117623 385899476 /nfs/dbraw/zinc/89/94/76/385899476.db2.gz YLPQIEDGFGCBBN-UHFFFAOYSA-N 0 3 249.314 0.921 20 0 BCADHN Cc1noc(NC(=O)NC2CCN(C)CC2)n1 ZINC000272417637 385901397 /nfs/dbraw/zinc/90/13/97/385901397.db2.gz ZXNHGUNSQKHWOD-UHFFFAOYSA-N 0 3 239.279 0.594 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H](CO)[C@@H]1CC)N(C)C ZINC000413857278 385901728 /nfs/dbraw/zinc/90/17/28/385901728.db2.gz LKGVWIBWMUEPBP-SDDRHHMPSA-N 0 3 242.363 0.946 20 0 BCADHN CN(C)CCN(C)C(=O)[C@H]1C[C@H]1C(F)F ZINC000338132999 385902915 /nfs/dbraw/zinc/90/29/15/385902915.db2.gz JGJAJJPFVBVMFW-SFYZADRCSA-N 0 3 220.263 0.908 20 0 BCADHN CC[C@@H](C(=O)N[C@@H]1COCC1(C)C)N(C)C ZINC000413839039 385905118 /nfs/dbraw/zinc/90/51/18/385905118.db2.gz CFTYHOZRUYJAHV-VHSXEESVSA-N 0 3 228.336 0.868 20 0 BCADHN CCONC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272730586 385929365 /nfs/dbraw/zinc/92/93/65/385929365.db2.gz ZPQFKIDXKOAQTF-SECBINFHSA-N 0 3 227.308 0.888 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)C1(N)CCOCC1 ZINC000338154750 385906000 /nfs/dbraw/zinc/90/60/00/385906000.db2.gz SSPBOMDISFAPKU-NXEZZACHSA-N 0 3 244.335 0.018 20 0 BCADHN CCN(C)CCNC(=O)[C@@H]1C[C@@H]1C(F)F ZINC000338154354 385906018 /nfs/dbraw/zinc/90/60/18/385906018.db2.gz PGGKZAQJJGXCMZ-JGVFFNPUSA-N 0 3 220.263 0.956 20 0 BCADHN CNC(=O)N[C@@H]1CCN(CC[C@H]2CCCO2)C1 ZINC000408272922 385906296 /nfs/dbraw/zinc/90/62/96/385906296.db2.gz LALUDARXWLLRCJ-GHMZBOCLSA-N 0 3 241.335 0.559 20 0 BCADHN COC(=O)[C@]1(C)CN(Cc2c[nH]nn2)C[C@H]1C ZINC000294879689 385907448 /nfs/dbraw/zinc/90/74/48/385907448.db2.gz AAZIVCWLQISEMP-LDYMZIIASA-N 0 3 238.291 0.436 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000336721353 385908350 /nfs/dbraw/zinc/90/83/50/385908350.db2.gz SOLDCGTVXPAENW-CBAPKCEASA-N 0 3 247.289 0.322 20 0 BCADHN CS[C@H](C)CNC(=O)[C@@H](N)C(C)C ZINC000122336975 385910054 /nfs/dbraw/zinc/91/00/54/385910054.db2.gz RSEJTQFBDDNQEO-SFYZADRCSA-N 0 3 204.339 0.837 20 0 BCADHN CN(C)C1(CN=c2nc[nH]n2C)CCCC1 ZINC000647855723 385911765 /nfs/dbraw/zinc/91/17/65/385911765.db2.gz WQROCVVGSQUACY-UHFFFAOYSA-N 0 3 223.324 0.523 20 0 BCADHN C[C@@H](CO)NCc1cnc(-c2cnn(C)c2)nc1 ZINC000354182951 385919259 /nfs/dbraw/zinc/91/92/59/385919259.db2.gz VFOFTNTUWMUKIW-VIFPVBQESA-N 0 3 247.302 0.348 20 0 BCADHN CN(CCOCCO)C[C@@H](O)CC(F)(F)F ZINC000307979987 385920270 /nfs/dbraw/zinc/92/02/70/385920270.db2.gz MXGCFNSLKCHFDH-QMMMGPOBSA-N 0 3 245.241 0.240 20 0 BCADHN CCc1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)[nH]n1 ZINC000272633280 385920340 /nfs/dbraw/zinc/92/03/40/385920340.db2.gz WONQRPQYOWQOEX-BDAKNGLRSA-N 0 3 236.319 0.795 20 0 BCADHN CCc1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)n[nH]1 ZINC000272633280 385920349 /nfs/dbraw/zinc/92/03/49/385920349.db2.gz WONQRPQYOWQOEX-BDAKNGLRSA-N 0 3 236.319 0.795 20 0 BCADHN C/C=C\C[C@H](CO)NC(=O)C1CCN(C)CC1 ZINC000354183313 385921501 /nfs/dbraw/zinc/92/15/01/385921501.db2.gz ZHBAOOLPQYOWPF-VSQXVHSFSA-N 0 3 240.347 0.772 20 0 BCADHN Cc1c(CN2CC[C@H]([C@@H](C)O)C2)cnn1C ZINC000272637440 385921623 /nfs/dbraw/zinc/92/16/23/385921623.db2.gz WYRQGMHMYQUCHK-MNOVXSKESA-N 0 3 223.320 0.931 20 0 BCADHN Cc1ncc(C(=O)N[C@@H]2CNCCC2(F)F)[nH]1 ZINC000335034042 385923079 /nfs/dbraw/zinc/92/30/79/385923079.db2.gz UCSOQMRCOOPUBZ-MRVPVSSYSA-N 0 3 244.245 0.445 20 0 BCADHN COC[C@H](NC[C@H]1CCCO1)[C@H]1CCCO1 ZINC000336767612 385924845 /nfs/dbraw/zinc/92/48/45/385924845.db2.gz PUWBGYNPQOMXCP-GRYCIOLGSA-N 0 3 229.320 0.949 20 0 BCADHN COC[C@H](CN[C@H](C)c1ccnn1C)OC ZINC000219297467 385927529 /nfs/dbraw/zinc/92/75/29/385927529.db2.gz VDCJKLZZOIRZQS-ZJUUUORDSA-N 0 3 227.308 0.732 20 0 BCADHN CCO[C@@H](CCNC(=O)[C@H](C)N)C(C)C ZINC000121688231 385859737 /nfs/dbraw/zinc/85/97/37/385859737.db2.gz RBFMIIMVNSZEEC-UWVGGRQHSA-N 0 3 216.325 0.901 20 0 BCADHN Cc1nnccc1C(=O)NCC1=CCN(C)CC1 ZINC000271911494 385860976 /nfs/dbraw/zinc/86/09/76/385860976.db2.gz RQSUUQCHAMZEQY-UHFFFAOYSA-N 0 3 246.314 0.777 20 0 BCADHN CO[C@@H](C)CN(C)C[C@@H](O)COC(C)C ZINC000336720239 385862845 /nfs/dbraw/zinc/86/28/45/385862845.db2.gz ZQMOVVPBIATJIV-WDEREUQCSA-N 0 3 219.325 0.739 20 0 BCADHN CN1C[C@H]2CCN(Cc3cn[nH]c3)[C@@H]2C1 ZINC000644839576 385864089 /nfs/dbraw/zinc/86/40/89/385864089.db2.gz BKELXBLBUZANKI-GHMZBOCLSA-N 0 3 206.293 0.546 20 0 BCADHN CCS(=O)(=O)NCCCN1CCC12CCC2 ZINC000337976649 385865193 /nfs/dbraw/zinc/86/51/93/385865193.db2.gz DKZMJPVVXCLRMQ-UHFFFAOYSA-N 0 3 246.376 0.944 20 0 BCADHN CCS(=O)(=O)NCCCN1CC[C@H](C)C1 ZINC000337981821 385866094 /nfs/dbraw/zinc/86/60/94/385866094.db2.gz SPFXXEMWTKIYBN-JTQLQIEISA-N 0 3 234.365 0.658 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H](C)[C@@H]1CO)N(C)C ZINC000413732864 385872456 /nfs/dbraw/zinc/87/24/56/385872456.db2.gz CCNUZUGGVTYQJL-MXWKQRLJSA-N 0 3 228.336 0.556 20 0 BCADHN CC[C@H](C(=O)N1CC[C@@H](C)[C@H]1CO)N(C)C ZINC000413732860 385872908 /nfs/dbraw/zinc/87/29/08/385872908.db2.gz CCNUZUGGVTYQJL-GMTAPVOTSA-N 0 3 228.336 0.556 20 0 BCADHN COC(=O)Cn1cc(CNCC(C)C)nn1 ZINC000123340571 385875826 /nfs/dbraw/zinc/87/58/26/385875826.db2.gz BZQGRXOEMQHBQG-UHFFFAOYSA-N 0 3 226.280 0.197 20 0 BCADHN CS(=O)(=O)CCCCN1CCCC[C@H]1CN ZINC000647827579 385876186 /nfs/dbraw/zinc/87/61/86/385876186.db2.gz KSXYYKMXMZZPIZ-NSHDSACASA-N 0 3 248.392 0.624 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)CCn1cccn1 ZINC000262708661 385876335 /nfs/dbraw/zinc/87/63/35/385876335.db2.gz OJKTVEGYWVAFDP-GFCCVEGCSA-N 0 3 238.335 0.859 20 0 BCADHN C[C@H](CNC(=O)CCn1ccnc1)N(C)C ZINC000338028542 385878029 /nfs/dbraw/zinc/87/80/29/385878029.db2.gz GROJRHMZRSBJJR-SNVBAGLBSA-N 0 3 224.308 0.340 20 0 BCADHN CN(CCNC(=O)NC1CCC1)C1CC1 ZINC000123328029 385879170 /nfs/dbraw/zinc/87/91/70/385879170.db2.gz ZQPPPHMGXNAMSN-UHFFFAOYSA-N 0 3 211.309 0.932 20 0 BCADHN COC[C@](C)(CCO)NC(=O)/C=C/CN(C)C ZINC000272153954 385879912 /nfs/dbraw/zinc/87/99/12/385879912.db2.gz AYUNRCITNGYTJY-FYJFLYSWSA-N 0 3 244.335 0.008 20 0 BCADHN CC(C)C(=O)NCCN[C@H](C)c1cn[nH]c1 ZINC000285447640 385928447 /nfs/dbraw/zinc/92/84/47/385928447.db2.gz ZHWQOKONCSIGBT-SECBINFHSA-N 0 3 224.308 0.833 20 0 BCADHN CN1C[C@H]2CCN(Cc3csnn3)[C@@H]2C1 ZINC000644841837 385883262 /nfs/dbraw/zinc/88/32/62/385883262.db2.gz SHQKFFNZFRXESB-PSASIEDQSA-N 0 3 224.333 0.674 20 0 BCADHN CC(C)(C)N(CC[C@H]1CCNC1=O)CC(N)=O ZINC000647966848 385975875 /nfs/dbraw/zinc/97/58/75/385975875.db2.gz JOVKPWLMBFWVEV-SECBINFHSA-N 0 3 241.335 0.098 20 0 BCADHN CC(C)(C)N(CC[C@@H]1CCNC1=O)CC(N)=O ZINC000647966849 385976623 /nfs/dbraw/zinc/97/66/23/385976623.db2.gz JOVKPWLMBFWVEV-VIFPVBQESA-N 0 3 241.335 0.098 20 0 BCADHN CN([C@@H]1COC[C@H]1O)[C@H]1Cc2ccccc2[C@@H]1O ZINC000285923373 385977977 /nfs/dbraw/zinc/97/79/77/385977977.db2.gz LJSVWMVESRUULW-DGAVXFQQSA-N 0 3 249.310 0.336 20 0 BCADHN C[C@@H](CCCCO)NCc1cnnn1C ZINC000336747456 385978037 /nfs/dbraw/zinc/97/80/37/385978037.db2.gz CLRZVGCTQMHICL-VIFPVBQESA-N 0 3 212.297 0.456 20 0 BCADHN CC[C@H](N)C(=O)N1CCN(CC)C(=O)C1(C)C ZINC000335019902 385978357 /nfs/dbraw/zinc/97/83/57/385978357.db2.gz XDJAZTRWWHYREE-VIFPVBQESA-N 0 3 241.335 0.193 20 0 BCADHN CCN(CCCO[C@H]1CCCCO1)CC(N)=O ZINC000338356421 385978686 /nfs/dbraw/zinc/97/86/86/385978686.db2.gz KIIGFAWTRXNGDE-LBPRGKRZSA-N 0 3 244.335 0.727 20 0 BCADHN CN([C@@H]1Cc2ccccc2[C@H]1O)[C@@H]1COC[C@H]1O ZINC000285923372 385979489 /nfs/dbraw/zinc/97/94/89/385979489.db2.gz LJSVWMVESRUULW-AAVRWANBSA-N 0 3 249.310 0.336 20 0 BCADHN C[C@@H]1CNCCN1C(=O)c1ccc2cncn2c1 ZINC000335021404 385980330 /nfs/dbraw/zinc/98/03/30/385980330.db2.gz RIWOLYDHZRKNQS-SNVBAGLBSA-N 0 3 244.298 0.768 20 0 BCADHN CNC(=O)CCN(C)CCn1nc(C)cc1C ZINC000345068857 385985502 /nfs/dbraw/zinc/98/55/02/385985502.db2.gz KXTMXGSWVHHWSE-UHFFFAOYSA-N 0 3 238.335 0.568 20 0 BCADHN CN(C)C1CN(c2cncc(-n3cccn3)n2)C1 ZINC000273292919 385986068 /nfs/dbraw/zinc/98/60/68/385986068.db2.gz KONSQWZDNWTPEI-UHFFFAOYSA-N 0 3 244.302 0.413 20 0 BCADHN CC[C@H](CO)N(C)Cc1cnc(N(C)C)nc1 ZINC000295186209 385987296 /nfs/dbraw/zinc/98/72/96/385987296.db2.gz WPGZKIUYNFKZDJ-LLVKDONJSA-N 0 3 238.335 0.745 20 0 BCADHN CNC(=O)[C@@H]1CCCN1C[C@H](OC)C1CC1 ZINC000425411560 385987736 /nfs/dbraw/zinc/98/77/36/385987736.db2.gz YLDFKMZFTIJPHV-QWRGUYRKSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](Cc1cnn(C)c1)NCc1cc[nH]n1 ZINC000336749005 385990395 /nfs/dbraw/zinc/99/03/95/385990395.db2.gz TVHBZLCAXUKSMU-SECBINFHSA-N 0 3 219.292 0.864 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@H](CO)[C@@H]1C ZINC000414053246 385932601 /nfs/dbraw/zinc/93/26/01/385932601.db2.gz JTHVFSOZDCVIRI-NWDGAFQWSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@@H](C(=O)NCCN(C)C1CC1)N(C)C ZINC000338269353 385934353 /nfs/dbraw/zinc/93/43/53/385934353.db2.gz CSVMASSHHGEPGW-NSHDSACASA-N 0 3 227.352 0.537 20 0 BCADHN COC(=O)C(C)(C)N1CCN(CC2CC2)CC1 ZINC000494381981 533153982 /nfs/dbraw/zinc/15/39/82/533153982.db2.gz BSSXWCXQHPMJEQ-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H](CO)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000408395779 385941438 /nfs/dbraw/zinc/94/14/38/385941438.db2.gz WLZRGTFBKMJEJA-OPRDCNLKSA-N 0 3 214.309 0.356 20 0 BCADHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)NC ZINC000451600253 385942448 /nfs/dbraw/zinc/94/24/48/385942448.db2.gz RBLGYYHDVFKRRO-ZJUUUORDSA-N 0 3 242.319 0.444 20 0 BCADHN C[C@@H](O)[C@H]1CCN(C(=O)/C=C/CN(C)C)C1 ZINC000272886397 385945685 /nfs/dbraw/zinc/94/56/85/385945685.db2.gz AAKUKQNDUYKURR-ZJRFNNFUSA-N 0 3 226.320 0.334 20 0 BCADHN C[C@H](CO)NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345099350 385993448 /nfs/dbraw/zinc/99/34/48/385993448.db2.gz PBILHICHDPYDHU-KXUCPTDWSA-N 0 3 229.324 0.149 20 0 BCADHN CCc1cc(=O)[n-]c(CNCC2([NH3+])CCC2)n1 ZINC000342151241 385946104 /nfs/dbraw/zinc/94/61/04/385946104.db2.gz XEIYWNCJSJSLJT-UHFFFAOYSA-N 0 3 236.319 0.716 20 0 BCADHN CC(C)C[C@H](CO)N[C@H](C)c1ccc(=O)[nH]n1 ZINC000286084759 385993611 /nfs/dbraw/zinc/99/36/11/385993611.db2.gz MLNGOFUKYWDPRD-NXEZZACHSA-N 0 3 239.319 0.828 20 0 BCADHN CS[C@H]1CN(C(=O)C2CC2)C[C@@H]1N(C)C ZINC000335053384 385952201 /nfs/dbraw/zinc/95/22/01/385952201.db2.gz VEJGLUSEIAHYDJ-UWVGGRQHSA-N 0 3 228.361 0.900 20 0 BCADHN C[C@H](NC(=O)NCCCO)C1=CCN(C)CC1 ZINC000272961655 385954257 /nfs/dbraw/zinc/95/42/57/385954257.db2.gz NMOWNKZVLLBLIX-JTQLQIEISA-N 0 3 241.335 0.318 20 0 BCADHN CN1CCNC[C@@H]1CNCc1ccsc1 ZINC000414970594 385962707 /nfs/dbraw/zinc/96/27/07/385962707.db2.gz VJCFFBNIRKMODK-LLVKDONJSA-N 0 3 225.361 0.741 20 0 BCADHN CN1CCNC[C@H]1CNCc1ccsc1 ZINC000414970595 385963256 /nfs/dbraw/zinc/96/32/56/385963256.db2.gz VJCFFBNIRKMODK-NSHDSACASA-N 0 3 225.361 0.741 20 0 BCADHN CCOC[C@H]1CCCN([C@@H](C)C(N)=O)C1 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/nfs/dbraw/zinc/11/97/03/386119703.db2.gz FSEUEYBSKNLKPU-CHWSQXEVSA-N 0 3 248.330 0.429 20 0 BCADHN CCC1(C(=O)NCCN(C)C)CCOCC1 ZINC000338729128 386121487 /nfs/dbraw/zinc/12/14/87/386121487.db2.gz SOZJPQFBTYQYTI-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN COCCO[C@H]1CCN([C@@H](C)COC)C1 ZINC000189669838 386060092 /nfs/dbraw/zinc/06/00/92/386060092.db2.gz NSVCLYDJRNYMBS-QWRGUYRKSA-N 0 3 217.309 0.759 20 0 BCADHN CCOCCN1CC[C@H](OCCOC)C1 ZINC000189668837 386060163 /nfs/dbraw/zinc/06/01/63/386060163.db2.gz KHLZJSLDOGREIQ-NSHDSACASA-N 0 3 217.309 0.760 20 0 BCADHN CC(C)CN(C(=O)[C@H](C)O)C1CCN(C)CC1 ZINC000345205693 386061012 /nfs/dbraw/zinc/06/10/12/386061012.db2.gz KMBNDLPSAWBWKM-NSHDSACASA-N 0 3 242.363 0.946 20 0 BCADHN CNC(=O)N[C@@H]1CCN(C[C@H](OC)C2CC2)C1 ZINC000425437563 386061705 /nfs/dbraw/zinc/06/17/05/386061705.db2.gz YXNLZXBAJSIGTN-MNOVXSKESA-N 0 3 241.335 0.415 20 0 BCADHN COC[C@H](CC(C)C)N[C@H]1CCCNC1=O ZINC000336753548 386062370 /nfs/dbraw/zinc/06/23/70/386062370.db2.gz DZQCEQCPWYNNOK-QWRGUYRKSA-N 0 3 228.336 0.916 20 0 BCADHN C[C@H](O)CCN1CCO[C@]2(CCO[C@H]2C)C1 ZINC000425465745 386063536 /nfs/dbraw/zinc/06/35/36/386063536.db2.gz AIOSXUXPIOKIBC-SDDRHHMPSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@@H]1CN(C)[C@@H](C)CN1CCc1cnn(C)c1 ZINC000335072952 386065226 /nfs/dbraw/zinc/06/52/26/386065226.db2.gz IXMLILWYDREXPX-NWDGAFQWSA-N 0 3 236.363 0.987 20 0 BCADHN C[C@@H]1CN(CCc2cnn(C)c2)[C@H](C)CN1C ZINC000335072954 386066460 /nfs/dbraw/zinc/06/64/60/386066460.db2.gz IXMLILWYDREXPX-VXGBXAGGSA-N 0 3 236.363 0.987 20 0 BCADHN CN([C@@H]1CCNC1=O)[C@H]1CCCC[C@H]1O ZINC000338598794 386068396 /nfs/dbraw/zinc/06/83/96/386068396.db2.gz KBFAQRYUADGVLV-IVZWLZJFSA-N 0 3 212.293 0.110 20 0 BCADHN CC[C@H](COC)NC1(C(=O)NCCOC)CC1 ZINC000414213847 386068663 /nfs/dbraw/zinc/06/86/63/386068663.db2.gz RRNRMEPQOTUGGW-SNVBAGLBSA-N 0 3 244.335 0.296 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCC[C@H]1CCO1 ZINC000638591013 386072287 /nfs/dbraw/zinc/07/22/87/386072287.db2.gz ZLPFWNMXTGLQIT-ZJUUUORDSA-N 0 3 235.349 0.578 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000068486576 386073344 /nfs/dbraw/zinc/07/33/44/386073344.db2.gz XPQZDDBGFFBHFK-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H](O)CCN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000425441498 386074169 /nfs/dbraw/zinc/07/41/69/386074169.db2.gz IFLCKDMWPFVMRP-NWDGAFQWSA-N 0 3 244.379 0.534 20 0 BCADHN CC[C@@H]1CC[C@H](C)N1CC(=O)NC(=O)NC ZINC000334445081 386075204 /nfs/dbraw/zinc/07/52/04/386075204.db2.gz FVUCXDWHFHMXRL-DTWKUNHWSA-N 0 3 227.308 0.705 20 0 BCADHN C[C@H](O)CN1CCC[C@@H](N2CCCCC2=O)C1 ZINC000365405213 386079484 /nfs/dbraw/zinc/07/94/84/386079484.db2.gz UVJHYCOCOYOQKU-NWDGAFQWSA-N 0 3 240.347 0.844 20 0 BCADHN CCC[C@H](C(=O)NC[C@H]1CCC[C@@H]1O)N(C)C ZINC000162331131 386082037 /nfs/dbraw/zinc/08/20/37/386082037.db2.gz ZAZJVDMSRDFKGN-UTUOFQBUSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)Nc1ccon1 ZINC000286934337 386082892 /nfs/dbraw/zinc/08/28/92/386082892.db2.gz CBFPWFTVBNKHJE-ZETCQYMHSA-N 0 3 212.253 0.746 20 0 BCADHN C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)C ZINC000286966592 386086027 /nfs/dbraw/zinc/08/60/27/386086027.db2.gz BCGVDXXZONPCNA-MRVPVSSYSA-N 0 3 244.726 0.603 20 0 BCADHN CC[C@](C)(O)CNC(=O)[C@H](C(C)C)N(C)C ZINC000075227713 386086073 /nfs/dbraw/zinc/08/60/73/386086073.db2.gz LXKVEBVVHVGILR-JQWIXIFHSA-N 0 3 230.352 0.850 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCC1(O)CCC1 ZINC000336772849 386087878 /nfs/dbraw/zinc/08/78/78/386087878.db2.gz YKFOZLLIPIALKX-SECBINFHSA-N 0 3 235.349 0.314 20 0 BCADHN CCOC[C@@H](N[C@@H]1CCNC1=O)C(C)C ZINC000189794512 386087891 /nfs/dbraw/zinc/08/78/91/386087891.db2.gz SECKSXUMOFWDJN-NXEZZACHSA-N 0 3 214.309 0.526 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000334450975 386089741 /nfs/dbraw/zinc/08/97/41/386089741.db2.gz UJFQKGZOJHPJOX-WDEREUQCSA-N 0 3 226.320 0.576 20 0 BCADHN CO[C@H](CN(C)CCNC(=O)N(C)C)C1CC1 ZINC000425453235 386094738 /nfs/dbraw/zinc/09/47/38/386094738.db2.gz DTTRBOLGTHRNAV-LLVKDONJSA-N 0 3 243.351 0.614 20 0 BCADHN O=C(CN1CC[C@H](C2CC2)C1)N1CCNC1=O ZINC000334448140 386095337 /nfs/dbraw/zinc/09/53/37/386095337.db2.gz IQYFPMCFYUNBBC-JTQLQIEISA-N 0 3 237.303 0.270 20 0 BCADHN O=C(CN1CC[C@@H](C2CC2)C1)N1CCNC1=O ZINC000334448141 386095482 /nfs/dbraw/zinc/09/54/82/386095482.db2.gz IQYFPMCFYUNBBC-SNVBAGLBSA-N 0 3 237.303 0.270 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000019423943 386096353 /nfs/dbraw/zinc/09/63/53/386096353.db2.gz FZALYKBJTVYQSS-OUAUKWLOSA-N 0 3 228.336 0.996 20 0 BCADHN C[N@H+](CCNC(=O)c1cncc([O-])c1)C1CC1 ZINC000111740086 386096776 /nfs/dbraw/zinc/09/67/76/386096776.db2.gz DGEOKFTTXGMZNE-UHFFFAOYSA-N 0 3 235.287 0.611 20 0 BCADHN C[N@@H+](CCNC(=O)c1cncc([O-])c1)C1CC1 ZINC000111740086 386096779 /nfs/dbraw/zinc/09/67/79/386096779.db2.gz DGEOKFTTXGMZNE-UHFFFAOYSA-N 0 3 235.287 0.611 20 0 BCADHN CC(=O)NCc1ccncc1OCCN(C)C ZINC000345304934 386098060 /nfs/dbraw/zinc/09/80/60/386098060.db2.gz WMVYXCPYLKRPRT-UHFFFAOYSA-N 0 3 237.303 0.658 20 0 BCADHN C[C@H](O)CCN1CCN(C)[C@H](C)[C@@H]1C ZINC000425457278 386098233 /nfs/dbraw/zinc/09/82/33/386098233.db2.gz KSWFOEOKAXNFGY-AXFHLTTASA-N 0 3 200.326 0.782 20 0 BCADHN CCN1C[C@H](C)[C@H](N[C@@H](C)C(=O)NC(C)C)C1 ZINC000414349363 386151203 /nfs/dbraw/zinc/15/12/03/386151203.db2.gz SRFRUPCJYKKHEF-SDDRHHMPSA-N 0 3 241.379 0.829 20 0 BCADHN CCN1C[C@H](C)[C@H](N[C@H](C)C(=O)NC(C)C)C1 ZINC000414349362 386152452 /nfs/dbraw/zinc/15/24/52/386152452.db2.gz SRFRUPCJYKKHEF-QJPTWQEYSA-N 0 3 241.379 0.829 20 0 BCADHN Cc1ccc(NC(=O)C(=O)N(C)CCN)cc1 ZINC000415877484 386154252 /nfs/dbraw/zinc/15/42/52/386154252.db2.gz IKEAPXBTPBZJTN-UHFFFAOYSA-N 0 3 235.287 0.351 20 0 BCADHN COC1(CCN2CCNC(=O)CC2)CCC1 ZINC000338959282 386190049 /nfs/dbraw/zinc/19/00/49/386190049.db2.gz DTJRKLLBCAVVTF-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN C[C@H](CN(C)C)NC(=O)C1CCC(=O)CC1 ZINC000346172659 386158779 /nfs/dbraw/zinc/15/87/79/386158779.db2.gz XBQCFCCYKCEWQO-SECBINFHSA-N 0 3 226.320 0.812 20 0 BCADHN CCO[C@@H]1C[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000346178566 386159642 /nfs/dbraw/zinc/15/96/42/386159642.db2.gz LMISGIKELAEKHT-IVZWLZJFSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1C[C@H]1C(F)F ZINC000346176991 386159748 /nfs/dbraw/zinc/15/97/48/386159748.db2.gz AHIUWMKLANXEPM-BWZBUEFSSA-N 0 3 220.263 0.954 20 0 BCADHN CC(C)[C@@H](O)C(=O)N[C@H](C)CN(C)C ZINC000346173485 386161130 /nfs/dbraw/zinc/16/11/30/386161130.db2.gz XOUHVNVCCPIZEH-RKDXNWHRSA-N 0 3 202.298 0.070 20 0 BCADHN CCN(C)CCNC(=O)NCC[C@@H](C)OC ZINC000338854403 386161117 /nfs/dbraw/zinc/16/11/17/386161117.db2.gz SXLNMLJJHNGZIM-SNVBAGLBSA-N 0 3 231.340 0.662 20 0 BCADHN CCN(C)CCNC(=O)c1c(C)noc1C ZINC000263644718 386162099 /nfs/dbraw/zinc/16/20/99/386162099.db2.gz BYGCYRJRHKOMQP-UHFFFAOYSA-N 0 3 225.292 0.973 20 0 BCADHN COC(=O)[C@H](C)CC(=O)N[C@H](C)CN(C)C ZINC000346135179 386163176 /nfs/dbraw/zinc/16/31/76/386163176.db2.gz CQKFSPSWSXVRHN-RKDXNWHRSA-N 0 3 230.308 0.252 20 0 BCADHN CS[C@H]1CN(Cc2cc[nH]n2)C[C@@H]1N(C)C ZINC000296324118 386164464 /nfs/dbraw/zinc/16/44/64/386164464.db2.gz OOILUTFTLGYMCK-QWRGUYRKSA-N 0 3 240.376 0.887 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000346141777 386164782 /nfs/dbraw/zinc/16/47/82/386164782.db2.gz RJYATBBAACWZIA-VXGBXAGGSA-N 0 3 241.379 0.927 20 0 BCADHN C[C@H](CN(C)C)NC(=O)C[C@@H]1CCCC[C@H]1O ZINC000346141249 386165431 /nfs/dbraw/zinc/16/54/31/386165431.db2.gz QNZNEFIYOHBWCB-GRYCIOLGSA-N 0 3 242.363 0.994 20 0 BCADHN CCOC[C@H](O)CN1CCN(C)C[C@@H]1C(C)C ZINC000425486775 386166360 /nfs/dbraw/zinc/16/63/60/386166360.db2.gz VMWWXYYWLWYMEJ-CHWSQXEVSA-N 0 3 244.379 0.656 20 0 BCADHN C[C@H](O)CCN1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000425487584 386167255 /nfs/dbraw/zinc/16/72/55/386167255.db2.gz VQHULIPRRDXICJ-TUAOUCFPSA-N 0 3 229.320 0.637 20 0 BCADHN C([C@H]1CCCOC1)N1CCO[C@@]2(CCOC2)C1 ZINC000346153727 386167599 /nfs/dbraw/zinc/16/75/99/386167599.db2.gz RCUGFLMSGFJNMH-OLZOCXBDSA-N 0 3 241.331 0.904 20 0 BCADHN C/C=C/CS(=O)(=O)C(C)C(=O)NCCC ZINC000077481944 386168647 /nfs/dbraw/zinc/16/86/47/386168647.db2.gz WZNJFLBKYUGPFM-OTQAPUNGSA-N 0 3 233.333 0.892 20 0 BCADHN C[C@@H](NC1CC1)C(=O)NCCNc1ccccn1 ZINC000296374834 386168916 /nfs/dbraw/zinc/16/89/16/386168916.db2.gz KETPOKRANJRPCA-SNVBAGLBSA-N 0 3 248.330 0.750 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1cccn1C ZINC000346158749 386171506 /nfs/dbraw/zinc/17/15/06/386171506.db2.gz LEVFHZTZSPHLGJ-SECBINFHSA-N 0 3 209.293 0.705 20 0 BCADHN C[C@H](CN(C)C)NC(=O)c1cnc(C2CC2)[nH]1 ZINC000346167644 386172931 /nfs/dbraw/zinc/17/29/31/386172931.db2.gz SPOIOLXBVQCQLV-MRVPVSSYSA-N 0 3 236.319 0.967 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCOC1 ZINC000346219187 386173479 /nfs/dbraw/zinc/17/34/79/386173479.db2.gz KJYKPNUATHXBAT-IUCAKERBSA-N 0 3 200.282 0.089 20 0 BCADHN CCOC[C@H](O)CN1C[C@H](C)N(CC)C[C@H]1C ZINC000346168493 386174188 /nfs/dbraw/zinc/17/41/88/386174188.db2.gz PXMKWVWDVYADOK-YNEHKIRRSA-N 0 3 244.379 0.798 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1[C@H](C)C1(F)F ZINC000346219165 386174321 /nfs/dbraw/zinc/17/43/21/386174321.db2.gz KFYLEWPPBCVPCN-GJMOJQLCSA-N 0 3 220.263 0.954 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)COC[C@H]1CCOC1 ZINC000346169492 386174635 /nfs/dbraw/zinc/17/46/35/386174635.db2.gz VJGJWMZTVQOPOJ-QWRGUYRKSA-N 0 3 244.335 0.106 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000346228461 386175579 /nfs/dbraw/zinc/17/55/79/386175579.db2.gz QZGRVNQIILACPK-GWOFURMSSA-N 0 3 226.320 0.478 20 0 BCADHN C[C@H](CN(C)C)NC(=O)[C@H]1CCCO1 ZINC000346220502 386177095 /nfs/dbraw/zinc/17/70/95/386177095.db2.gz LCAISFPDRHWHPU-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@H](O)CCN1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000425495741 386177131 /nfs/dbraw/zinc/17/71/31/386177131.db2.gz SXBDUFJUSWQLMQ-TUAOUCFPSA-N 0 3 230.352 0.144 20 0 BCADHN C[C@@H](CO)CCCNC(=O)N(C)CCN(C)C ZINC000340273276 386178062 /nfs/dbraw/zinc/17/80/62/386178062.db2.gz VUJJNZJNMPAYSP-LLVKDONJSA-N 0 3 245.367 0.598 20 0 BCADHN CN(CCNC(=O)c1ccncn1)C1CC1 ZINC000275193717 386190989 /nfs/dbraw/zinc/19/09/89/386190989.db2.gz YZNVUCYPWQZSAO-UHFFFAOYSA-N 0 3 220.276 0.301 20 0 BCADHN COC(C)(C)CC(=O)N(C)CCN(C)C ZINC000346230788 386178786 /nfs/dbraw/zinc/17/87/86/386178786.db2.gz UGCRCDXBSCZACD-UHFFFAOYSA-N 0 3 216.325 0.822 20 0 BCADHN CN(C)CCN(C)C(=O)c1ccncn1 ZINC000275101644 386179558 /nfs/dbraw/zinc/17/95/58/386179558.db2.gz DIIJOHKTOJXRJC-UHFFFAOYSA-N 0 3 208.265 0.110 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCCn1cccn1 ZINC000163653409 386181967 /nfs/dbraw/zinc/18/19/67/386181967.db2.gz HLJHSTYUQBRLHP-GHMZBOCLSA-N 0 3 238.335 0.763 20 0 BCADHN C[C@H](N)C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000164696638 386182257 /nfs/dbraw/zinc/18/22/57/386182257.db2.gz VFOMVTKWZQMYBJ-VIFPVBQESA-N 0 3 245.286 0.231 20 0 BCADHN CCC[C@H]1C(=O)NCCN1C[C@H]1CCOC1 ZINC000346198610 386184117 /nfs/dbraw/zinc/18/41/17/386184117.db2.gz UYWPFHAYYGVWQS-MNOVXSKESA-N 0 3 226.320 0.623 20 0 BCADHN C[C@H](CN(C)C)NC(=O)Cc1cccnc1 ZINC000346202372 386184350 /nfs/dbraw/zinc/18/43/50/386184350.db2.gz UIKLDYRQAPMALN-SNVBAGLBSA-N 0 3 221.304 0.690 20 0 BCADHN CSC[C@H](O)CN(C)CCc1cnccn1 ZINC000275142818 386184438 /nfs/dbraw/zinc/18/44/38/386184438.db2.gz DXIAZBXPIKBVLW-LLVKDONJSA-N 0 3 241.360 0.675 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@@H](COC)C1)N(C)C ZINC000338961126 386191301 /nfs/dbraw/zinc/19/13/01/386191301.db2.gz OKAFPDYZCYYHLB-MNOVXSKESA-N 0 3 228.336 0.822 20 0 BCADHN C[C@H](O)CCN1CCC[C@H](n2ccnn2)C1 ZINC000425502679 386186547 /nfs/dbraw/zinc/18/65/47/386186547.db2.gz HSIIFUJDURWEAP-QWRGUYRKSA-N 0 3 224.308 0.686 20 0 BCADHN CC[C@@H](C(=O)NCCOCC1CC1)N(C)C ZINC000338969731 386186906 /nfs/dbraw/zinc/18/69/06/386186906.db2.gz CKXYFJLIOBHWME-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN CCC(O)(CC)CNC(=O)C1CCN(C)CC1 ZINC000346274691 386187574 /nfs/dbraw/zinc/18/75/74/386187574.db2.gz FOSXEQJXOJUJNJ-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H]1CN(CCCO)CCN1CC(C)(C)O ZINC000189941139 386124734 /nfs/dbraw/zinc/12/47/34/386124734.db2.gz FPLSCNFTIMHFIV-NSHDSACASA-N 0 3 230.352 0.146 20 0 BCADHN CCOCC(=O)NCCN1CCC[C@@H](C)C1 ZINC000345845077 386125360 /nfs/dbraw/zinc/12/53/60/386125360.db2.gz YVNIUEZXQGLBIC-LLVKDONJSA-N 0 3 228.336 0.871 20 0 BCADHN CC(=O)N[C@@H](C)C1CCN(CCO)CC1 ZINC000408338907 386126159 /nfs/dbraw/zinc/12/61/59/386126159.db2.gz MVKYVHAMJUVVPS-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN C[C@H](CNC(=O)CCCCC(N)=O)N(C)C ZINC000338754378 386127039 /nfs/dbraw/zinc/12/70/39/386127039.db2.gz LJJDCLWUNTUAIT-SECBINFHSA-N 0 3 229.324 0.098 20 0 BCADHN CO[C@H](C)CN1CCc2n[nH]c(=O)cc2C1 ZINC000408338696 386128514 /nfs/dbraw/zinc/12/85/14/386128514.db2.gz MSOFKRAMNKYTBY-MRVPVSSYSA-N 0 3 223.276 0.575 20 0 BCADHN COC[C@@H](C)N1CCc2n[nH]c(=O)cc2C1 ZINC000408339282 386129720 /nfs/dbraw/zinc/12/97/20/386129720.db2.gz PBMURBHTIBRKNW-MRVPVSSYSA-N 0 3 223.276 0.575 20 0 BCADHN CC[C@@H](C(=O)NCCOC)N(CC)CC ZINC000345852454 386129801 /nfs/dbraw/zinc/12/98/01/386129801.db2.gz UNXHFTDUHUROLK-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)C(=O)c2ccc[nH]2)C1 ZINC000296058271 386130957 /nfs/dbraw/zinc/13/09/57/386130957.db2.gz BTQQCUUDMNZWMY-JTQLQIEISA-N 0 3 249.314 0.750 20 0 BCADHN CC[C@]1(O)CCN([C@@H](C)C(=O)NC2CC2)C1 ZINC000331866677 386132667 /nfs/dbraw/zinc/13/26/67/386132667.db2.gz JMZNTZKYJDGTID-CABZTGNLSA-N 0 3 226.320 0.500 20 0 BCADHN COc1cc(C(=O)NC[C@H](C)N(C)C)nn1C ZINC000274632231 386132558 /nfs/dbraw/zinc/13/25/58/386132558.db2.gz WLWXXXGHCQXSAD-QMMMGPOBSA-N 0 3 240.307 0.109 20 0 BCADHN CO[C@@H](CN(C)[C@]1(CO)CCOC1)C1CC1 ZINC000425464402 386135216 /nfs/dbraw/zinc/13/52/16/386135216.db2.gz XOXNZMOVUHCYSA-RYUDHWBXSA-N 0 3 229.320 0.495 20 0 BCADHN Cc1cccc2ncc(CN[C@@H](C)CC(N)=O)n21 ZINC000345863174 386135523 /nfs/dbraw/zinc/13/55/23/386135523.db2.gz XBGAFRLLICGTRH-VIFPVBQESA-N 0 3 246.314 0.996 20 0 BCADHN C[C@H]1CN(C)CCN1CCOCC(F)F ZINC000346278455 386189350 /nfs/dbraw/zinc/18/93/50/386189350.db2.gz MXOOOJWNZCRCDJ-VIFPVBQESA-N 0 3 222.279 0.904 20 0 BCADHN CNC(=O)NC(=O)CCN1C[C@H](C)[C@H]1C ZINC000334464956 386136807 /nfs/dbraw/zinc/13/68/07/386136807.db2.gz BYVIZMOHHLODGV-JGVFFNPUSA-N 0 3 213.281 0.172 20 0 BCADHN CNC(=O)NC(=O)CCN1C[C@H](C)[C@@H]1C ZINC000334464961 386136973 /nfs/dbraw/zinc/13/69/73/386136973.db2.gz BYVIZMOHHLODGV-YUMQZZPRSA-N 0 3 213.281 0.172 20 0 BCADHN COC(C)(C)CCN(CC(N)=O)C(C)C ZINC000345867863 386137131 /nfs/dbraw/zinc/13/71/31/386137131.db2.gz VTSWMYRXNNUJHO-UHFFFAOYSA-N 0 3 216.325 0.997 20 0 BCADHN CC(C)(N)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000262495379 386140122 /nfs/dbraw/zinc/14/01/22/386140122.db2.gz ZGXWNCDJLRMDLL-QMMMGPOBSA-N 0 3 222.292 0.641 20 0 BCADHN CN(CCNC(=O)[C@@H]1CCCOC1)C1CC1 ZINC000340550813 386205394 /nfs/dbraw/zinc/20/53/94/386205394.db2.gz PLAKNZYEDOMKHJ-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@@H](C)CS(=O)(=O)C(C)C(=O)N(C)C ZINC000131425301 386207336 /nfs/dbraw/zinc/20/73/36/386207336.db2.gz OHXPTAJOMDNOKM-RKDXNWHRSA-N 0 3 235.349 0.924 20 0 BCADHN Cc1cc(C(=O)N2CCC[C@@H](N(C)C)C2)cnn1 ZINC000276010268 386259568 /nfs/dbraw/zinc/25/95/68/386259568.db2.gz AMXYKHGLLHGFTR-GFCCVEGCSA-N 0 3 248.330 0.951 20 0 BCADHN C[C@@H](CNC(=O)[C@@H]1CCCOC1)N(C)C ZINC000340551181 386208065 /nfs/dbraw/zinc/20/80/65/386208065.db2.gz PGLBLDUCLUECEZ-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN Cc1ncc(NC(=O)NC[C@@H](C)N(C)C)cn1 ZINC000264173004 386212781 /nfs/dbraw/zinc/21/27/81/386212781.db2.gz KHMYVLGUOPJNDE-MRVPVSSYSA-N 0 3 237.307 0.857 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCN1Cc1cn[nH]n1 ZINC000340289287 386216550 /nfs/dbraw/zinc/21/65/50/386216550.db2.gz FEIVDDAQNMICFY-SCZZXKLOSA-N 0 3 210.281 0.540 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCN1Cc1c[nH]nn1 ZINC000340289287 386216552 /nfs/dbraw/zinc/21/65/52/386216552.db2.gz FEIVDDAQNMICFY-SCZZXKLOSA-N 0 3 210.281 0.540 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)Nc1ccccc1 ZINC000288567909 386217222 /nfs/dbraw/zinc/21/72/22/386217222.db2.gz KJHVTMBAHCSIJA-JTQLQIEISA-N 0 3 236.271 0.906 20 0 BCADHN CCC1(CO)CCN([C@@H]2COC[C@H]2O)CC1 ZINC000340290011 386220590 /nfs/dbraw/zinc/22/05/90/386220590.db2.gz MKDKXZYQTVPEGL-GHMZBOCLSA-N 0 3 229.320 0.231 20 0 BCADHN Cc1nsc(NC(=O)[C@H](N)C(C)C)n1 ZINC000131776251 386221620 /nfs/dbraw/zinc/22/16/20/386221620.db2.gz BKHBDBRWGDQTNA-ZCFIWIBFSA-N 0 3 214.294 0.768 20 0 BCADHN C[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)c1cn[nH]c1 ZINC000275558690 386222063 /nfs/dbraw/zinc/22/20/63/386222063.db2.gz VDVBNZZPAJBGPD-BWVDBABLSA-N 0 3 226.255 0.287 20 0 BCADHN CCCCNC(=O)[C@@H](C)N1CCCN(C)CC1 ZINC000347034950 386223644 /nfs/dbraw/zinc/22/36/44/386223644.db2.gz PHLSDOBVTMBFSC-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN CC(C)C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccco1 ZINC000340560566 386224055 /nfs/dbraw/zinc/22/40/55/386224055.db2.gz GQPNHNGVBOKPFF-SECBINFHSA-N 0 3 246.332 0.931 20 0 BCADHN C[C@H]1CCCN(CC(=O)NC(C)(C)C)[C@@H]1CO ZINC000125181996 386224386 /nfs/dbraw/zinc/22/43/86/386224386.db2.gz HNYUOFVRKSLRIK-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN CCCNS(=O)(=O)N(C)CCN1CCCC1 ZINC000408359980 386224495 /nfs/dbraw/zinc/22/44/95/386224495.db2.gz XLVGEDJNOQYVOE-UHFFFAOYSA-N 0 3 249.380 0.258 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)N1CCCN(C)CC1 ZINC000347036572 386225201 /nfs/dbraw/zinc/22/52/01/386225201.db2.gz QYRQZNXALWHIEO-RYUDHWBXSA-N 0 3 241.379 0.927 20 0 BCADHN CCN(C)C(=O)CCN(C)C1CC(O)C1 ZINC000353509529 386227555 /nfs/dbraw/zinc/22/75/55/386227555.db2.gz HILXBZFJOWOHMG-UHFFFAOYSA-N 0 3 214.309 0.310 20 0 BCADHN CC[C@H](N)C(=O)N1CCc2ccncc21 ZINC000335374586 386230751 /nfs/dbraw/zinc/23/07/51/386230751.db2.gz JDFVEPALYAGPIP-VIFPVBQESA-N 0 3 205.261 0.708 20 0 BCADHN Cc1cn[nH]c1CN1CCC(C(N)=O)CC1 ZINC000340562770 386231730 /nfs/dbraw/zinc/23/17/30/386231730.db2.gz GIUVLSJPVPKASV-UHFFFAOYSA-N 0 3 222.292 0.415 20 0 BCADHN CN(C)C1CN(C(=O)[C@H]2CCCc3nccn32)C1 ZINC000365622052 386233560 /nfs/dbraw/zinc/23/35/60/386233560.db2.gz OFKBFTJNSFGLKR-LLVKDONJSA-N 0 3 248.330 0.533 20 0 BCADHN CN(CC1CC1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000343198044 386242729 /nfs/dbraw/zinc/24/27/29/386242729.db2.gz TYVDBCMNJIBWSP-GFCCVEGCSA-N 0 3 237.347 0.245 20 0 BCADHN Cc1nnc2ccc(C(=O)NCCN(C)C)cn12 ZINC000264514453 386243804 /nfs/dbraw/zinc/24/38/04/386243804.db2.gz SYOYXTKIPLYWFA-UHFFFAOYSA-N 0 3 247.302 0.329 20 0 BCADHN CC[C@@H](C)CN(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336644122 386245913 /nfs/dbraw/zinc/24/59/13/386245913.db2.gz BSPMAEOEZZESCN-MNOVXSKESA-N 0 3 248.392 0.998 20 0 BCADHN CO[C@@H]1CCCN(CCn2cncn2)C1 ZINC000336642618 386246073 /nfs/dbraw/zinc/24/60/73/386246073.db2.gz AJYGJUNAUYCPHB-SNVBAGLBSA-N 0 3 210.281 0.389 20 0 BCADHN CN(C)C1(CNC(=O)c2ccnn2C)CCC1 ZINC000275875405 386249663 /nfs/dbraw/zinc/24/96/63/386249663.db2.gz KFUUHUJEPZJUMT-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN C/C=C/C=C/C(=O)N[C@H]1CCN(CCOC)C1 ZINC000264596881 386252458 /nfs/dbraw/zinc/25/24/58/386252458.db2.gz XCKYORAWDODQLA-KVOZUEDISA-N 0 3 238.331 0.956 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1C[C@@](C)(O)C1)N(C)C ZINC000416278160 386253305 /nfs/dbraw/zinc/25/33/05/386253305.db2.gz ULEVPFJQLXZBIV-FOGDFJRCSA-N 0 3 228.336 0.602 20 0 BCADHN C[NH+](C)CCN(C(=O)c1cncc([O-])c1)C1CC1 ZINC000356285884 386256429 /nfs/dbraw/zinc/25/64/29/386256429.db2.gz WWEALDDEJBZDPT-UHFFFAOYSA-N 0 3 249.314 0.953 20 0 BCADHN CC[C@H](O)CN1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000339118049 386258292 /nfs/dbraw/zinc/25/82/92/386258292.db2.gz DNLIFJJDROOJDL-OUAUKWLOSA-N 0 3 229.320 0.888 20 0 BCADHN C[C@@H]1OCC[C@@H]1N[C@H]1CNCCC1(F)F ZINC000414997238 386192022 /nfs/dbraw/zinc/19/20/22/386192022.db2.gz HGZWCOJWSOXPTM-CIUDSAMLSA-N 0 3 220.263 0.751 20 0 BCADHN COC(=O)[C@H](C)NC(=O)c1ccc2c(c1)CNC2 ZINC000131100867 386195095 /nfs/dbraw/zinc/19/50/95/386195095.db2.gz PVGJODIENVWYJC-QMMMGPOBSA-N 0 3 248.282 0.581 20 0 BCADHN C[C@@H](NC[C@@H]1CN(C)CCO1)c1cn[nH]c1 ZINC000275241526 386195594 /nfs/dbraw/zinc/19/55/94/386195594.db2.gz XEKCNBRKYWTXJZ-MWLCHTKSSA-N 0 3 224.308 0.391 20 0 BCADHN C[C@H](NC[C@@H]1CN(C)CCO1)c1cn[nH]c1 ZINC000275241521 386195756 /nfs/dbraw/zinc/19/57/56/386195756.db2.gz XEKCNBRKYWTXJZ-GXSJLCMTSA-N 0 3 224.308 0.391 20 0 BCADHN CN1CC[C@]2(CCN(C(=O)CCCCO)C2)C1 ZINC000310556901 386197906 /nfs/dbraw/zinc/19/79/06/386197906.db2.gz YTMZDKIYNQQOQR-ZDUSSCGKSA-N 0 3 240.347 0.703 20 0 BCADHN CCN(C)CCNC(=O)c1ccncn1 ZINC000275293161 386198011 /nfs/dbraw/zinc/19/80/11/386198011.db2.gz LTTIWARVJVWZQE-UHFFFAOYSA-N 0 3 208.265 0.158 20 0 BCADHN CN(C)C(=O)CNC(C)(C)C(C)(C)O ZINC000223250158 386280536 /nfs/dbraw/zinc/28/05/36/386280536.db2.gz YUNXEIXCDKEPRB-UHFFFAOYSA-N 0 3 202.298 0.214 20 0 BCADHN CN(CCN(C)C1CC1)CCn1cncn1 ZINC000347200953 386281791 /nfs/dbraw/zinc/28/17/91/386281791.db2.gz OKILVDJUKAABSI-UHFFFAOYSA-N 0 3 223.324 0.304 20 0 BCADHN COCC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000347203278 386282752 /nfs/dbraw/zinc/28/27/52/386282752.db2.gz LRVOATIKPLJOHB-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN C[C@@H](CO)N(CC(=O)N1CCC1)C1CCCC1 ZINC000347207919 386283831 /nfs/dbraw/zinc/28/38/31/386283831.db2.gz SIYLBGQERBYCBP-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000347233300 386285520 /nfs/dbraw/zinc/28/55/20/386285520.db2.gz FBBBRIBBMYJVSG-UHFFFAOYSA-N 0 3 227.308 0.109 20 0 BCADHN CC[C@@H](O)CN1CCN(C(C)(C)COC)CC1 ZINC000425513268 386287636 /nfs/dbraw/zinc/28/76/36/386287636.db2.gz ZJNKIWMGWCAPSE-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN CC[C@H](O)CN1CCN(CC)C[C@H]1C ZINC000339192366 386287686 /nfs/dbraw/zinc/28/76/86/386287686.db2.gz PIYGIPGPMWOXHL-MNOVXSKESA-N 0 3 200.326 0.783 20 0 BCADHN CC(C)C[C@@H](CO)N(C)CCn1cncn1 ZINC000347229359 386288848 /nfs/dbraw/zinc/28/88/48/386288848.db2.gz NFRGRAOMTLVHKT-NSHDSACASA-N 0 3 226.324 0.617 20 0 BCADHN CC(C)C[C@H](CO)N(C)CCn1cncn1 ZINC000347229358 386289332 /nfs/dbraw/zinc/28/93/32/386289332.db2.gz NFRGRAOMTLVHKT-LLVKDONJSA-N 0 3 226.324 0.617 20 0 BCADHN CO[C@H]1CN(CCn2ccnc2)C[C@@H]1OC ZINC000336665866 386290787 /nfs/dbraw/zinc/29/07/87/386290787.db2.gz JJBBQEMXFMOVHI-QWRGUYRKSA-N 0 3 225.292 0.229 20 0 BCADHN CCOCCN1CCC[C@H](n2ccnn2)C1 ZINC000425514695 386290919 /nfs/dbraw/zinc/29/09/19/386290919.db2.gz QCBMQCSRIVXYRL-NSHDSACASA-N 0 3 224.308 0.952 20 0 BCADHN CO[C@H]1CN(CCn2cncn2)CC[C@@H]1C ZINC000336665945 386291253 /nfs/dbraw/zinc/29/12/53/386291253.db2.gz JUARYHHBOZKFEJ-QWRGUYRKSA-N 0 3 224.308 0.635 20 0 BCADHN CO[C@@H]1CN(CCn2ccnc2)C[C@H]1OC ZINC000336665852 386291276 /nfs/dbraw/zinc/29/12/76/386291276.db2.gz JJBBQEMXFMOVHI-GHMZBOCLSA-N 0 3 225.292 0.229 20 0 BCADHN NC(=O)[C@@H]1CCCN1CCCn1ccnc1 ZINC000183174577 386291481 /nfs/dbraw/zinc/29/14/81/386291481.db2.gz IRECTELTSFKURD-JTQLQIEISA-N 0 3 222.292 0.223 20 0 BCADHN CC(C)[C@@H](O)CN1CCO[C@H](CN(C)C)C1 ZINC000336666867 386292354 /nfs/dbraw/zinc/29/23/54/386292354.db2.gz MMFPBEACNXKJQZ-NEPJUHHUSA-N 0 3 230.352 0.266 20 0 BCADHN CN(CCN1CCCC1=O)CC1(O)CCC1 ZINC000336666162 386294031 /nfs/dbraw/zinc/29/40/31/386294031.db2.gz FUQUZYQMFIUPFD-UHFFFAOYSA-N 0 3 226.320 0.456 20 0 BCADHN CN(Cc1ccncc1)C(=O)C[C@@H]1CNCCO1 ZINC000091299452 386294255 /nfs/dbraw/zinc/29/42/55/386294255.db2.gz HQIDOYUVQZNHAE-GFCCVEGCSA-N 0 3 249.314 0.419 20 0 BCADHN C[C@H](O)CN1CC[C@@H](COC(F)F)C1 ZINC000339193362 386295706 /nfs/dbraw/zinc/29/57/06/386295706.db2.gz CXUFEJMRSSCOPE-JGVFFNPUSA-N 0 3 209.236 0.928 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CCCCO2)C[C@@H]1OC ZINC000336667955 386295791 /nfs/dbraw/zinc/29/57/91/386295791.db2.gz OIJMGFYRFBQFAR-UTUOFQBUSA-N 0 3 229.320 0.901 20 0 BCADHN CC(C)C[C@H](N)C(=O)N(C)Cc1cnccn1 ZINC000236647031 386295974 /nfs/dbraw/zinc/29/59/74/386295974.db2.gz JCKYKIWBMZIJLL-NSHDSACASA-N 0 3 236.319 0.808 20 0 BCADHN CO[C@H]1CN(CCOCC2CC2)C[C@@H]1OC ZINC000336667971 386296434 /nfs/dbraw/zinc/29/64/34/386296434.db2.gz OSLMDUHBPSMWBR-RYUDHWBXSA-N 0 3 229.320 0.759 20 0 BCADHN CO[C@@H](C)CN1CCSC[C@@H]1CO ZINC000336660978 386298807 /nfs/dbraw/zinc/29/88/07/386298807.db2.gz VLZRMFSWRRLEFF-IUCAKERBSA-N 0 3 205.323 0.431 20 0 BCADHN CN(CCNC(=O)C[C@@](C)(O)C1CC1)C1CC1 ZINC000339204229 386299267 /nfs/dbraw/zinc/29/92/67/386299267.db2.gz NCHVMTDJQBDJFD-CYBMUJFWSA-N 0 3 240.347 0.748 20 0 BCADHN CO[C@H](C)CN1CCSC[C@H]1CCO ZINC000336672269 386302337 /nfs/dbraw/zinc/30/23/37/386302337.db2.gz LWGGBDOLPNIALF-NXEZZACHSA-N 0 3 219.350 0.821 20 0 BCADHN CN(C)CCN(C)Cc1cn2cccnc2n1 ZINC000298165311 386303069 /nfs/dbraw/zinc/30/30/69/386303069.db2.gz SXHLYPUAAFZOKI-UHFFFAOYSA-N 0 3 233.319 0.723 20 0 BCADHN Cn1ccnc1CNC[C@@]1(C)CCOC1 ZINC000336731070 386303975 /nfs/dbraw/zinc/30/39/75/386303975.db2.gz KMVBUFSCZDTYMC-LLVKDONJSA-N 0 3 209.293 0.936 20 0 BCADHN Cc1ccc([O-])c(CN[C@@H](C)[C@@H](C)[NH3+])n1 ZINC000415005645 386304621 /nfs/dbraw/zinc/30/46/21/386304621.db2.gz JJRMMLOLSGBFQZ-BDAKNGLRSA-N 0 3 209.293 0.921 20 0 BCADHN CC[C@]1(O)CCN(CCn2cncn2)C1 ZINC000347253646 386308022 /nfs/dbraw/zinc/30/80/22/386308022.db2.gz RRXZUHIAXIPMBK-JTQLQIEISA-N 0 3 210.281 0.125 20 0 BCADHN CN(CC1(O)CCC1)[C@H]1CCCCNC1=O ZINC000336668937 386309274 /nfs/dbraw/zinc/30/92/74/386309274.db2.gz HPKGMBQAQOFFER-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN Cc1n[nH]cc1CNC(=O)C12CCCN1CCC2 ZINC000289467370 386309522 /nfs/dbraw/zinc/30/95/22/386309522.db2.gz DAMCLLQPIKTVTC-UHFFFAOYSA-N 0 3 248.330 0.963 20 0 BCADHN CN(CC1(O)CCC1)[C@@H]1CCCCNC1=O ZINC000336668956 386309674 /nfs/dbraw/zinc/30/96/74/386309674.db2.gz HPKGMBQAQOFFER-SNVBAGLBSA-N 0 3 226.320 0.502 20 0 BCADHN CO[C@H](C)CN1CCC[C@H](n2ccnn2)C1 ZINC000425519006 386310023 /nfs/dbraw/zinc/31/00/23/386310023.db2.gz WBTQKEPNPCKWGR-MNOVXSKESA-N 0 3 224.308 0.950 20 0 BCADHN CCN(CCOC)CC1CCS(=O)(=O)CC1 ZINC000336668960 386310145 /nfs/dbraw/zinc/31/01/45/386310145.db2.gz HPQGNYMUUUNLAT-UHFFFAOYSA-N 0 3 249.376 0.780 20 0 BCADHN CO[C@H](CN)C(=O)NCc1ccc(Cl)nc1 ZINC000289471540 386310500 /nfs/dbraw/zinc/31/05/00/386310500.db2.gz DKTRFERPKBELLP-MRVPVSSYSA-N 0 3 243.694 0.325 20 0 BCADHN CO[C@@]1(C)CCCN(CCN2CCNC2=O)C1 ZINC000336669553 386312880 /nfs/dbraw/zinc/31/28/80/386312880.db2.gz AMTDPQQRTPTHRV-LBPRGKRZSA-N 0 3 241.335 0.513 20 0 BCADHN CN(C)S(=O)(=O)CCCN1CCCC1 ZINC000336669440 386313337 /nfs/dbraw/zinc/31/33/37/386313337.db2.gz DITMCAIQASPQIZ-UHFFFAOYSA-N 0 3 220.338 0.364 20 0 BCADHN Cc1cc(C(=O)N(C)CCN(C)C2CC2)cnn1 ZINC000276382306 386314234 /nfs/dbraw/zinc/31/42/34/386314234.db2.gz LRNXTXPPOIIEEZ-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN N[C@H](CNC(=O)N1CCOCC1)c1ccccc1 ZINC000091970459 386314561 /nfs/dbraw/zinc/31/45/61/386314561.db2.gz ARODCPATYCKTMN-GFCCVEGCSA-N 0 3 249.314 0.728 20 0 BCADHN CC(C)c1nc(CCNC(=O)CN)cs1 ZINC000236822355 386314543 /nfs/dbraw/zinc/31/45/43/386314543.db2.gz CUFAFXIMAKYTBS-UHFFFAOYSA-N 0 3 227.333 0.884 20 0 BCADHN CN(CCNS(C)(=O)=O)CC(C)(C)C ZINC000336675869 386325140 /nfs/dbraw/zinc/32/51/40/386325140.db2.gz WADJVTKTMMIZHS-UHFFFAOYSA-N 0 3 222.354 0.514 20 0 BCADHN C[C@@H](O)CN(CCc1cncn1C)[C@@H](C)CO ZINC000289491369 386317047 /nfs/dbraw/zinc/31/70/47/386317047.db2.gz CNETWCJUIBRAOR-WDEREUQCSA-N 0 3 241.335 0.026 20 0 BCADHN Cc1[nH]nc(C(=O)NC[C@@H]2CCN(C)C2)c1C ZINC000265211506 386317896 /nfs/dbraw/zinc/31/78/96/386317896.db2.gz LKNGZBKREWIAKL-JTQLQIEISA-N 0 3 236.319 0.708 20 0 BCADHN CN(CCN1CCCC1)[C@@H]1CCCNC1=O ZINC000336678608 386318035 /nfs/dbraw/zinc/31/80/35/386318035.db2.gz OVVQQTFNZWWUDU-LLVKDONJSA-N 0 3 225.336 0.293 20 0 BCADHN CSCCN1CC[C@H](c2nnc[nH]2)C1 ZINC000425527923 386319999 /nfs/dbraw/zinc/31/99/99/386319999.db2.gz BNYBNTIFJPWKTK-QMMMGPOBSA-N 0 3 212.322 0.957 20 0 BCADHN CN(C(=O)COC1(C)CNC1)c1nccs1 ZINC000647988859 386322240 /nfs/dbraw/zinc/32/22/40/386322240.db2.gz ZSGVYSYJJKRSGT-UHFFFAOYSA-N 0 3 241.316 0.484 20 0 BCADHN CN(C)C1(CNC(=O)c2ccccn2)CC1 ZINC000416293279 386261662 /nfs/dbraw/zinc/26/16/62/386261662.db2.gz URFYZLGVIWMQEC-UHFFFAOYSA-N 0 3 219.288 0.906 20 0 BCADHN CC[C@H](O)CN1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000339141930 386262275 /nfs/dbraw/zinc/26/22/75/386262275.db2.gz VEYZAGKMTSGNTC-SRVKXCTJSA-N 0 3 229.320 0.637 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C2CC2)cnn1 ZINC000276017051 386262857 /nfs/dbraw/zinc/26/28/57/386262857.db2.gz BOPKTYJMEZIQBE-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN CN(C[C@@H]1CCCO1)C[C@H]1COCCO1 ZINC000336650734 386263109 /nfs/dbraw/zinc/26/31/09/386263109.db2.gz SYPTVDMKIUBZEZ-QWRGUYRKSA-N 0 3 215.293 0.513 20 0 BCADHN CCN(C)CCNC(=O)c1cnnc(C)c1 ZINC000276047196 386265733 /nfs/dbraw/zinc/26/57/33/386265733.db2.gz HSZBGSYDIFPPKQ-UHFFFAOYSA-N 0 3 222.292 0.467 20 0 BCADHN COCCCC(=O)NCC1(N(C)C)CC1 ZINC000416304760 386266018 /nfs/dbraw/zinc/26/60/18/386266018.db2.gz VORYAUUCGQCKNK-UHFFFAOYSA-N 0 3 214.309 0.623 20 0 BCADHN C[C@@H]1CN(C(=O)N[C@H]2CCCOC2)[C@H](C)CN1 ZINC000417521996 386267051 /nfs/dbraw/zinc/26/70/51/386267051.db2.gz GMAWPTCNRFNSEO-MXWKQRLJSA-N 0 3 241.335 0.557 20 0 BCADHN CO[C@H](C)CN(C)CC1CCS(=O)(=O)CC1 ZINC000336675288 386323726 /nfs/dbraw/zinc/32/37/26/386323726.db2.gz VDUSAKDLFFLBLX-SNVBAGLBSA-N 0 3 249.376 0.778 20 0 BCADHN CCN(C[C@@H]1CCOC1)[C@H]1CCNC1=O ZINC000336653399 386268594 /nfs/dbraw/zinc/26/85/94/386268594.db2.gz YJWCBMHOZGTEHW-UWVGGRQHSA-N 0 3 212.293 0.233 20 0 BCADHN COCC(C)(C)C(=O)NCC1(N(C)C)CC1 ZINC000416307595 386269089 /nfs/dbraw/zinc/26/90/89/386269089.db2.gz LSNZKSLCZVHRHW-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN CCC[C@](C)(O)C(=O)NCC1(N(C)C)CC1 ZINC000416309026 386270441 /nfs/dbraw/zinc/27/04/41/386270441.db2.gz UBAOUUOEWSAFCX-NSHDSACASA-N 0 3 228.336 0.748 20 0 BCADHN CNS(=O)(=O)CCCN1CC=C(C)CC1 ZINC000336652641 386270480 /nfs/dbraw/zinc/27/04/80/386270480.db2.gz XCBIHQGEVWYRJI-UHFFFAOYSA-N 0 3 232.349 0.578 20 0 BCADHN C[C@H]1C[C@H](C(=O)NCC2(N(C)C)CC2)CO1 ZINC000416309044 386270560 /nfs/dbraw/zinc/27/05/60/386270560.db2.gz UFLMBSVQKDJTMW-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN CN(C)C1(CNC(=O)[C@@H]2CCCCO2)CC1 ZINC000416307837 386270669 /nfs/dbraw/zinc/27/06/69/386270669.db2.gz MZRBTXCEHXUYLA-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN Cc1ccnc(C(=O)NCC2(N(C)C)CC2)n1 ZINC000416307796 386271340 /nfs/dbraw/zinc/27/13/40/386271340.db2.gz MOIHYELJHROXLV-UHFFFAOYSA-N 0 3 234.303 0.609 20 0 BCADHN CC[C@]1(C)CCN(CCS(=O)(=O)N(C)C)C1 ZINC000336654173 386272151 /nfs/dbraw/zinc/27/21/51/386272151.db2.gz KAUOZVNOVYURRV-LLVKDONJSA-N 0 3 248.392 1.000 20 0 BCADHN C[C@@H]1OCC[C@@H]1N(CCO)C[C@H]1CCCO1 ZINC000339150279 386272506 /nfs/dbraw/zinc/27/25/06/386272506.db2.gz VCRKAYWXOPEBCM-TUAOUCFPSA-N 0 3 229.320 0.637 20 0 BCADHN CN(C)C1(CNC(=O)c2cncn2C)CC1 ZINC000416309774 386274019 /nfs/dbraw/zinc/27/40/19/386274019.db2.gz XLAWXPLXTJXZAT-UHFFFAOYSA-N 0 3 222.292 0.244 20 0 BCADHN C[C@H](CNC(=O)[C@@H](O)c1cccnc1)N(C)C ZINC000264844091 386274466 /nfs/dbraw/zinc/27/44/66/386274466.db2.gz LPMYZXYRXVRLFV-KOLCDFICSA-N 0 3 237.303 0.181 20 0 BCADHN C[C@H](CNC(=O)[C@H](O)c1cccnc1)N(C)C ZINC000264844093 386275656 /nfs/dbraw/zinc/27/56/56/386275656.db2.gz LPMYZXYRXVRLFV-MWLCHTKSSA-N 0 3 237.303 0.181 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCc1noc(C)n1 ZINC000226356543 386277041 /nfs/dbraw/zinc/27/70/41/386277041.db2.gz UKFYUGDSNATZJB-SNVBAGLBSA-N 0 3 226.280 0.512 20 0 BCADHN CCN(C)CCNC(=O)C1(C(C)=O)CC1 ZINC000340307665 386277237 /nfs/dbraw/zinc/27/72/37/386277237.db2.gz KWEJLKWIUVLFJW-UHFFFAOYSA-N 0 3 212.293 0.424 20 0 BCADHN CNS(=O)(=O)C[C@H]1CCCN1CCC1CC1 ZINC000336661763 386277935 /nfs/dbraw/zinc/27/79/35/386277935.db2.gz AEYDDBMKFVCMAN-LLVKDONJSA-N 0 3 246.376 0.800 20 0 BCADHN CN(C[C@@H]1CCC[C@H]1O)[C@@H]1CCCNC1=O ZINC000336661821 386279064 /nfs/dbraw/zinc/27/90/64/386279064.db2.gz CGDRYBSQFXGOEX-HBNTYKKESA-N 0 3 226.320 0.358 20 0 BCADHN CN(C(=O)C1(N)CCOCC1)[C@H]1CC1(C)C ZINC000335276972 386340163 /nfs/dbraw/zinc/34/01/63/386340163.db2.gz FZOGCXPTCCRECN-VIFPVBQESA-N 0 3 226.320 0.751 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@@H](O)C1CCCCC1 ZINC000353156337 386342681 /nfs/dbraw/zinc/34/26/81/386342681.db2.gz RSSMVEVOPQAGHV-MNOVXSKESA-N 0 3 244.335 0.018 20 0 BCADHN CSCCCN(C)CCn1cncn1 ZINC000336682469 386342742 /nfs/dbraw/zinc/34/27/42/386342742.db2.gz IDJSOYLJSNMQEO-UHFFFAOYSA-N 0 3 214.338 0.963 20 0 BCADHN COC[C@H]1CCN1C[C@H](O)CN(C)C1CC1 ZINC000339290054 386342853 /nfs/dbraw/zinc/34/28/53/386342853.db2.gz HSVKYEVIHCUWRB-VXGBXAGGSA-N 0 3 228.336 0.162 20 0 BCADHN CCOCC[C@H](O)CN1CC[C@H]1COC ZINC000339288410 386342922 /nfs/dbraw/zinc/34/29/22/386342922.db2.gz VXSHPZDJVPNZFJ-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN COC[C@@H]1CCN1CCN1CCCOCC1 ZINC000339289679 386343134 /nfs/dbraw/zinc/34/31/34/386343134.db2.gz HBWPFFNQMMARHZ-LBPRGKRZSA-N 0 3 228.336 0.429 20 0 BCADHN COC[C@H](O)CN1CCC(O)(C(F)F)CC1 ZINC000408363740 386343743 /nfs/dbraw/zinc/34/37/43/386343743.db2.gz ZLIJOZLGSMTVBA-MRVPVSSYSA-N 0 3 239.262 0.086 20 0 BCADHN CCO[C@@H]1C[C@@](N)(C(=O)NCCOC)C1(C)C ZINC000133726553 386344438 /nfs/dbraw/zinc/34/44/38/386344438.db2.gz HICQFMILAAOMFB-BXKDBHETSA-N 0 3 244.335 0.282 20 0 BCADHN CN(CC(C)(C)CO)[C@@H]1CCCCNC1=O ZINC000336687191 386346556 /nfs/dbraw/zinc/34/65/56/386346556.db2.gz XKIJKVMCQKEXMI-SNVBAGLBSA-N 0 3 228.336 0.605 20 0 BCADHN Cc1nonc1C(=O)NC[C@@H](C)N(C)C ZINC000265539059 386347437 /nfs/dbraw/zinc/34/74/37/386347437.db2.gz KLQDMYDTHCORIU-ZCFIWIBFSA-N 0 3 212.253 0.058 20 0 BCADHN CCC(CC)NC(=O)N1CCOC2(CNC2)C1 ZINC000335268216 386348189 /nfs/dbraw/zinc/34/81/89/386348189.db2.gz DUENXHMDGZLUFY-UHFFFAOYSA-N 0 3 241.335 0.559 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC(c2ncc[nH]2)CC1 ZINC000265555248 386348442 /nfs/dbraw/zinc/34/84/42/386348442.db2.gz ZMVOHAXYLTYFHV-JTQLQIEISA-N 0 3 236.319 0.853 20 0 BCADHN COC(=O)CCCNC(=O)/C=C/CN(C)C ZINC000265589799 386349064 /nfs/dbraw/zinc/34/90/64/386349064.db2.gz AJOJFOIBAYSTNI-AATRIKPKSA-N 0 3 228.292 0.174 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)/C=C/CN(C)C ZINC000265620692 386352825 /nfs/dbraw/zinc/35/28/25/386352825.db2.gz HGZYBQSKYHVDEX-VUHVRTRXSA-N 0 3 228.292 0.172 20 0 BCADHN C[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000339285222 386353044 /nfs/dbraw/zinc/35/30/44/386353044.db2.gz RBVJWAJHLUMLQF-VHSXEESVSA-N 0 3 241.335 0.051 20 0 BCADHN COC[C@H]1CCN1CCN1CCOC[C@H]1C ZINC000339284769 386353759 /nfs/dbraw/zinc/35/37/59/386353759.db2.gz SUQSQNARMBKCFY-VXGBXAGGSA-N 0 3 228.336 0.428 20 0 BCADHN CN(CCN1CCCC1)Cc1ccn(C)n1 ZINC000336689518 386354273 /nfs/dbraw/zinc/35/42/73/386354273.db2.gz ZIOJDGYOTVHMHG-UHFFFAOYSA-N 0 3 222.336 0.948 20 0 BCADHN O=C(NC(C1CC1)C1CC1)[C@]1(F)CCNC1 ZINC000366323229 386359109 /nfs/dbraw/zinc/35/91/09/386359109.db2.gz PQFFPBVPAXLEAS-LBPRGKRZSA-N 0 3 226.295 0.993 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@H]1CCCCO1 ZINC000265675825 386360561 /nfs/dbraw/zinc/36/05/61/386360561.db2.gz UQBPDIHAZYXUIX-OKPNEXGHSA-N 0 3 226.320 0.790 20 0 BCADHN C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)N(C)C ZINC000298573004 386360625 /nfs/dbraw/zinc/36/06/25/386360625.db2.gz FMMIOSHKRKKMTF-QMMMGPOBSA-N 0 3 236.319 0.578 20 0 BCADHN CCCC(=O)NCC(=O)N1C[C@H](C)NC[C@H]1C ZINC000356346028 386361461 /nfs/dbraw/zinc/36/14/61/386361461.db2.gz MXJMMDRIARNXQL-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)[C@H](C(=O)NCc1ccncn1)N(C)C ZINC000644892351 386363302 /nfs/dbraw/zinc/36/33/02/386363302.db2.gz ILFFQJBHIMYLAC-LLVKDONJSA-N 0 3 236.319 0.679 20 0 BCADHN CO[C@H](CNC(=O)C1(N)CC1)c1ccccc1 ZINC000237193155 386364388 /nfs/dbraw/zinc/36/43/88/386364388.db2.gz MEJCYWDLDHMWBG-LLVKDONJSA-N 0 3 234.299 0.982 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CCCO2)C[C@H]1OC ZINC000336696064 386372990 /nfs/dbraw/zinc/37/29/90/386372990.db2.gz ICMNEIAKKDOAOV-HBNTYKKESA-N 0 3 215.293 0.511 20 0 BCADHN CN(C)C[C@H]1CN(C[C@H]2CCCOC2)CCO1 ZINC000336696128 386375074 /nfs/dbraw/zinc/37/50/74/386375074.db2.gz JTTPYSNPGKYDDW-OLZOCXBDSA-N 0 3 242.363 0.675 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CCCO2)C[C@@H]1OC ZINC000336696070 386375391 /nfs/dbraw/zinc/37/53/91/386375391.db2.gz ICMNEIAKKDOAOV-MXWKQRLJSA-N 0 3 215.293 0.511 20 0 BCADHN CO[C@@H](CNC(=O)[C@]1(F)CCNC1)C(C)C ZINC000366349909 386381289 /nfs/dbraw/zinc/38/12/89/386381289.db2.gz YKHUKZDGWGBOMU-ONGXEEELSA-N 0 3 232.299 0.475 20 0 BCADHN C=Cn1cc(CN2C[C@H](O)C[C@@H]2C)cn1 ZINC000334496548 386381761 /nfs/dbraw/zinc/38/17/61/386381761.db2.gz UKMYHDQGPCJQEU-GXSJLCMTSA-N 0 3 207.277 0.939 20 0 BCADHN CN(CCN1CCCC1)[C@H]1CCCCNC1=O ZINC000336697340 386382094 /nfs/dbraw/zinc/38/20/94/386382094.db2.gz KHHVVRPIBHYZQF-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN Cc1ccnc(NC[C@]2(O)CCN(C)C2)n1 ZINC000336775411 386382461 /nfs/dbraw/zinc/38/24/61/386382461.db2.gz YYDIJHKTQWBYHI-LLVKDONJSA-N 0 3 222.292 0.264 20 0 BCADHN CN(C)C/C=C/C(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000276866326 386383793 /nfs/dbraw/zinc/38/37/93/386383793.db2.gz KWCNHGACIVUZQI-MJKAUQOVSA-N 0 3 226.320 0.381 20 0 BCADHN CCN(C[C@H]1CCCO1)C[C@H]1COCCO1 ZINC000336698538 386385321 /nfs/dbraw/zinc/38/53/21/386385321.db2.gz JISRHSACQGXQSG-NEPJUHHUSA-N 0 3 229.320 0.903 20 0 BCADHN CCC(CC)NC(=O)NC[C@H]1CNCCO1 ZINC000416792253 386385378 /nfs/dbraw/zinc/38/53/78/386385378.db2.gz LDXKDOFKOZDEKO-SNVBAGLBSA-N 0 3 229.324 0.463 20 0 BCADHN Cc1n[nH]c(C(=O)NCCn2ccnc2)c1C ZINC000265266856 386325578 /nfs/dbraw/zinc/32/55/78/386325578.db2.gz VIHUJAKAOBSPMH-UHFFFAOYSA-N 0 3 233.275 0.653 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000011958760 386325981 /nfs/dbraw/zinc/32/59/81/386325981.db2.gz BIJMTERYEPADEC-JTQLQIEISA-N 0 3 235.287 0.707 20 0 BCADHN C[C@@H](CNC(=O)c1cccn1C)N(C)C ZINC000298324635 386326240 /nfs/dbraw/zinc/32/62/40/386326240.db2.gz MFDOOGUOZMFETA-VIFPVBQESA-N 0 3 209.293 0.705 20 0 BCADHN CN(C)CCNC(=O)/C=C/c1ccnn1C ZINC000298350591 386327796 /nfs/dbraw/zinc/32/77/96/386327796.db2.gz OGDRCHIIYNOYDD-SNAWJCMRSA-N 0 3 222.292 0.111 20 0 BCADHN CSCCCN(C)CCN1CCNC1=O ZINC000336676713 386328400 /nfs/dbraw/zinc/32/84/00/386328400.db2.gz HVZLNPDPQRMOLA-UHFFFAOYSA-N 0 3 231.365 0.697 20 0 BCADHN Cn1cnc(C(=O)NC[C@H]2CCN(C3CC3)C2)n1 ZINC000289577489 386328422 /nfs/dbraw/zinc/32/84/22/386328422.db2.gz QACGGLWKEZXXSE-SECBINFHSA-N 0 3 249.318 0.029 20 0 BCADHN CN1CC[C@@H](CNS(=O)(=O)CCC2CC2)C1 ZINC000416498128 386328581 /nfs/dbraw/zinc/32/85/81/386328581.db2.gz WNXDAQBFYFEDJE-NSHDSACASA-N 0 3 246.376 0.658 20 0 BCADHN CC(C)CS(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000416494273 386329451 /nfs/dbraw/zinc/32/94/51/386329451.db2.gz IEHOPXGESCDHLW-SNVBAGLBSA-N 0 3 234.365 0.514 20 0 BCADHN CCCc1nnc(NC(=O)[C@@H](CN)OC)s1 ZINC000353155607 386329698 /nfs/dbraw/zinc/32/96/98/386329698.db2.gz TZXNFZSMCMZXOT-ZCFIWIBFSA-N 0 3 244.320 0.403 20 0 BCADHN CO[C@@H]1CN([C@H]2CCOC2)C[C@H]1OC ZINC000336677973 386330801 /nfs/dbraw/zinc/33/08/01/386330801.db2.gz DNMZPUYJBIQCTK-IVZWLZJFSA-N 0 3 201.266 0.121 20 0 BCADHN Cc1c(C(=O)N[C@@H](C)CN)[nH]c2c1C(=O)CCC2 ZINC000276890622 386385843 /nfs/dbraw/zinc/38/58/43/386385843.db2.gz GHGIIGPUKXCWGJ-ZETCQYMHSA-N 0 3 249.314 0.919 20 0 BCADHN CC[C@H](C(=O)N[C@H]1C[C@H](O)C1(C)C)N(C)C ZINC000190624311 386331293 /nfs/dbraw/zinc/33/12/93/386331293.db2.gz WFJUXJIDMYXJCK-UTLUCORTSA-N 0 3 228.336 0.602 20 0 BCADHN CC(=O)Nc1ccc(CN(C)CCC(N)=O)cc1 ZINC000289602681 386331416 /nfs/dbraw/zinc/33/14/16/386331416.db2.gz KVVLEUYPGZMNBJ-UHFFFAOYSA-N 0 3 249.314 0.952 20 0 BCADHN CCS(=O)(=O)NCCN1C[C@H](C)C[C@@H](C)C1 ZINC000336680405 386334690 /nfs/dbraw/zinc/33/46/90/386334690.db2.gz PYLPSLOGWDTHDE-GHMZBOCLSA-N 0 3 248.392 0.904 20 0 BCADHN CC[C@H](CO)N1CCN(CC[C@@H](C)O)CC1 ZINC000336680430 386334768 /nfs/dbraw/zinc/33/47/68/386334768.db2.gz QCICSHCATVLTLS-VXGBXAGGSA-N 0 3 230.352 0.146 20 0 BCADHN CCc1cc(C(=O)NC[C@@H](C)N(C)C)[nH]n1 ZINC000298402720 386337905 /nfs/dbraw/zinc/33/79/05/386337905.db2.gz GVNNTYQEOVZCLP-MRVPVSSYSA-N 0 3 224.308 0.652 20 0 BCADHN COC[C@H]1CCN1C[C@@H](O)CCOC(C)C ZINC000339280995 386338001 /nfs/dbraw/zinc/33/80/01/386338001.db2.gz IEMPVKVFRWIBJV-NEPJUHHUSA-N 0 3 231.336 0.883 20 0 BCADHN CSC[C@](C)(O)CNCc1n[nH]cc1C ZINC000289649454 386339382 /nfs/dbraw/zinc/33/93/82/386339382.db2.gz YFXFXFRPHGGFRO-SNVBAGLBSA-N 0 3 229.349 0.922 20 0 BCADHN CC(C)[C@@H]1CCN(CCS(=O)(=O)N(C)C)C1 ZINC000336683499 386339588 /nfs/dbraw/zinc/33/95/88/386339588.db2.gz YZTXJCHZIPHVDK-LLVKDONJSA-N 0 3 248.392 0.856 20 0 BCADHN O=C1CCCN1C[C@@H](O)CN1CCC12CCC2 ZINC000336711996 386437011 /nfs/dbraw/zinc/43/70/11/386437011.db2.gz NCMMBSDTKRNTDW-LLVKDONJSA-N 0 3 238.331 0.598 20 0 BCADHN C[C@H](O)CCN1CCC(N2CCNC2=O)CC1 ZINC000336717224 386437800 /nfs/dbraw/zinc/43/78/00/386437800.db2.gz YAXSOKMBIJYASN-JTQLQIEISA-N 0 3 241.335 0.247 20 0 BCADHN O=C1CCCN1C[C@H](O)CN1CCC12CCC2 ZINC000336711997 386437921 /nfs/dbraw/zinc/43/79/21/386437921.db2.gz NCMMBSDTKRNTDW-NSHDSACASA-N 0 3 238.331 0.598 20 0 BCADHN CCN(CC)CC(=O)N1CCc2n[nH]cc2C1 ZINC000299291376 386438006 /nfs/dbraw/zinc/43/80/06/386438006.db2.gz ACVCXFDQRWZTRQ-UHFFFAOYSA-N 0 3 236.319 0.636 20 0 BCADHN Cc1nnc(CN[C@H]2CCOC[C@@H]2C)[nH]1 ZINC000336754298 386438225 /nfs/dbraw/zinc/43/82/25/386438225.db2.gz IENSNPZSGUYOKK-CBAPKCEASA-N 0 3 210.281 0.628 20 0 BCADHN CCC[C@@](C)(N)C(=O)N(C)[C@@H]1CCOC1 ZINC000134687923 386440221 /nfs/dbraw/zinc/44/02/21/386440221.db2.gz JABYSKBANMQBMD-MWLCHTKSSA-N 0 3 214.309 0.751 20 0 BCADHN CC[C@H](CO)N1CCN(C[C@H](O)C(C)C)CC1 ZINC000336717734 386441574 /nfs/dbraw/zinc/44/15/74/386441574.db2.gz USSAURVPANHCJQ-OLZOCXBDSA-N 0 3 244.379 0.392 20 0 BCADHN Cc1cccc2ncc(CNC[C@H](O)CO)n21 ZINC000347534447 386443046 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0.582 20 0 BCADHN COC[C@@H]1CCN1C[C@@H]1CNc2ccnn2C1 ZINC000648038636 386451636 /nfs/dbraw/zinc/45/16/36/386451636.db2.gz DAIXNBJVNFBPRL-QWRGUYRKSA-N 0 3 236.319 0.646 20 0 BCADHN CC[C@@H](C)N(CCO)C[C@@H]1CCS(=O)(=O)C1 ZINC000347459858 386411884 /nfs/dbraw/zinc/41/18/84/386411884.db2.gz SNTGTMQRTLIWFW-MNOVXSKESA-N 0 3 249.376 0.514 20 0 BCADHN C1=CCN([C@@H]2CCN(c3ncccn3)C2)C1 ZINC000266221261 386414301 /nfs/dbraw/zinc/41/43/01/386414301.db2.gz HVLRXZDZXXJZKA-LLVKDONJSA-N 0 3 216.288 0.927 20 0 BCADHN CN(C)C[C@H]1CN(CC2(C)COC2)CCO1 ZINC000336708428 386414837 /nfs/dbraw/zinc/41/48/37/386414837.db2.gz UIODLHLXVUIRMC-NSHDSACASA-N 0 3 228.336 0.285 20 0 BCADHN Cn1cccc(NC(=O)[C@H]2CCCCN2)c1=O ZINC000237814809 386415836 /nfs/dbraw/zinc/41/58/36/386415836.db2.gz UKBMBFVDQUDCSD-SECBINFHSA-N 0 3 235.287 0.466 20 0 BCADHN C[C@@H](CNC(=O)c1cnsn1)N(C)C ZINC000299129907 386417610 /nfs/dbraw/zinc/41/76/10/386417610.db2.gz YZDDDLURYUNHKT-LURJTMIESA-N 0 3 214.294 0.218 20 0 BCADHN O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1CC[NH2+]C1 ZINC000237857105 386419601 /nfs/dbraw/zinc/41/96/01/386419601.db2.gz DDSJMWMBOVWZGE-SCSAIBSYSA-N 0 3 249.196 0.372 20 0 BCADHN O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1CC[NH2+]C1 ZINC000237857105 386419606 /nfs/dbraw/zinc/41/96/06/386419606.db2.gz DDSJMWMBOVWZGE-SCSAIBSYSA-N 0 3 249.196 0.372 20 0 BCADHN COC(=O)Cn1cc(CNC[C@@H]2C[C@H]2C)nn1 ZINC000277240350 386421391 /nfs/dbraw/zinc/42/13/91/386421391.db2.gz NABOLASQHDCOSR-BDAKNGLRSA-N 0 3 238.291 0.197 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000353202947 386421461 /nfs/dbraw/zinc/42/14/61/386421461.db2.gz AVPSBZOWIHPPAB-JQWIXIFHSA-N 0 3 241.335 0.241 20 0 BCADHN COC(=O)Cn1cc(CNC[C@H]2C[C@@H]2C)nn1 ZINC000277240368 386422274 /nfs/dbraw/zinc/42/22/74/386422274.db2.gz NABOLASQHDCOSR-DTWKUNHWSA-N 0 3 238.291 0.197 20 0 BCADHN CN(CC(F)F)C(=O)[C@@H](N)C1CCC1 ZINC000399156438 386425319 /nfs/dbraw/zinc/42/53/19/386425319.db2.gz BMZRRHPNBFPREF-QMMMGPOBSA-N 0 3 206.236 0.837 20 0 BCADHN N[C@@H](CNC(=O)C(=O)NC1CC1)c1ccccc1 ZINC000237963071 386427160 /nfs/dbraw/zinc/42/71/60/386427160.db2.gz QAXCMIDAXCNIOA-NSHDSACASA-N 0 3 247.298 0.081 20 0 BCADHN CC[C@H](CCO)NC(=O)C1CCN(C)CC1 ZINC000339436612 386431497 /nfs/dbraw/zinc/43/14/97/386431497.db2.gz LDEIPWOTLVYKHR-LLVKDONJSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@H](N)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000519402955 386431845 /nfs/dbraw/zinc/43/18/45/386431845.db2.gz MGPLAEDULRTXIL-DCAQKATOSA-N 0 3 225.336 0.276 20 0 BCADHN CC[C@H]1CCN(CCS(=O)(=O)N(C)C)C1 ZINC000336714204 386433243 /nfs/dbraw/zinc/43/32/43/386433243.db2.gz VYLNJDUHZBIXMH-JTQLQIEISA-N 0 3 234.365 0.610 20 0 BCADHN Cc1cc(C(=O)NCCN(C)C)ccc1O ZINC000226951477 386435350 /nfs/dbraw/zinc/43/53/50/386435350.db2.gz CKOGLGKTFVKXII-UHFFFAOYSA-N 0 3 222.288 0.992 20 0 BCADHN C[C@H](O)CCCN(C)[C@H]1CCN(C)C1=O ZINC000336717167 386436199 /nfs/dbraw/zinc/43/61/99/386436199.db2.gz XVSBMCPLXDNHSJ-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)Cc1cncnc1 ZINC000290683582 386466501 /nfs/dbraw/zinc/46/65/01/386466501.db2.gz IBIJAOFDIVJHBX-UHFFFAOYSA-N 0 3 248.330 0.572 20 0 BCADHN CCOCC[C@H](O)CN(C)CCn1cccn1 ZINC000277805849 386467849 /nfs/dbraw/zinc/46/78/49/386467849.db2.gz UNLXNIJOLLDJPW-LBPRGKRZSA-N 0 3 241.335 0.602 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)c1cnn(CCF)c1 ZINC000290705364 386468205 /nfs/dbraw/zinc/46/82/05/386468205.db2.gz WWLVSCXEUHRQIL-VIFPVBQESA-N 0 3 242.298 0.533 20 0 BCADHN C[C@@H]1CN(C[C@H](O)COC2CCOCC2)[C@H]1C ZINC000339573648 386471801 /nfs/dbraw/zinc/47/18/01/386471801.db2.gz MCTNGEHKOWGBAU-WOPDTQHZSA-N 0 3 243.347 0.883 20 0 BCADHN CCN(C)CCNC(=O)c1cncnc1 ZINC000299635024 386474848 /nfs/dbraw/zinc/47/48/48/386474848.db2.gz UOYIKEZYWMYYNV-UHFFFAOYSA-N 0 3 208.265 0.158 20 0 BCADHN COc1ncncc1CN[C@@H]1CCC[C@@H]1CO ZINC000648041845 386475065 /nfs/dbraw/zinc/47/50/65/386475065.db2.gz FFGNBVUHXIGPQR-MWLCHTKSSA-N 0 3 237.303 0.736 20 0 BCADHN C[C@@H]1CN(C(=O)NC[C@H]2CCOC2)[C@H](C)CN1 ZINC000417286794 386475867 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ZINC000644925990 386617892 /nfs/dbraw/zinc/61/78/92/386617892.db2.gz CUPFELUTGONKEP-PRJMDXOYSA-N 0 3 229.243 0.950 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H](C)C[C@@H]1CCCO1 ZINC000353162767 386618801 /nfs/dbraw/zinc/61/88/01/386618801.db2.gz AHWIIRBTZXSBMQ-KXUCPTDWSA-N 0 3 230.308 0.034 20 0 BCADHN CO[C@H](CN)C(=O)N[C@H](C)C[C@H]1CCCO1 ZINC000353162771 386618912 /nfs/dbraw/zinc/61/89/12/386618912.db2.gz AHWIIRBTZXSBMQ-OPRDCNLKSA-N 0 3 230.308 0.034 20 0 BCADHN O=C1NCCCC[C@H]1NCC1=CCCOC1 ZINC000124645037 386663228 /nfs/dbraw/zinc/66/32/28/386663228.db2.gz LNNRQGJYCIRJNN-LLVKDONJSA-N 0 3 224.304 0.591 20 0 BCADHN Cn1cc(C[C@H]2CCN(C(=O)C3(N)CC3)C2)cn1 ZINC000520411767 386669954 /nfs/dbraw/zinc/66/99/54/386669954.db2.gz DMDYBEPZDCFYOJ-SNVBAGLBSA-N 0 3 248.330 0.302 20 0 BCADHN Cc1ccc([O-])c(CNC[C@@H]2CCC[NH2+]2)n1 ZINC000414822295 386670662 /nfs/dbraw/zinc/67/06/62/386670662.db2.gz DOSWDIAOYNTEJT-JTQLQIEISA-N 0 3 221.304 0.937 20 0 BCADHN COCCn1cc(CN[C@H]2CCO[C@H]2C)cn1 ZINC000337238630 386672278 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239.319 0.595 20 0 BCADHN CC(C)(N)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000335470031 386689670 /nfs/dbraw/zinc/68/96/70/386689670.db2.gz NUSYFWXYYGXKAG-NXEZZACHSA-N 0 3 226.320 0.798 20 0 BCADHN O=C1NC[C@@H]2[C@@H]1CCCN2C[C@@H]1CCCCO1 ZINC000337258974 386693008 /nfs/dbraw/zinc/69/30/08/386693008.db2.gz VMVLZPADVJKGGU-SDDRHHMPSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@@H](C(=O)NC[C@]1(O)CCN(C)C1)C1CCC1 ZINC000331477553 386694157 /nfs/dbraw/zinc/69/41/57/386694157.db2.gz LEADBHCMHSLCGR-ZWNOBZJWSA-N 0 3 240.347 0.605 20 0 BCADHN CCC[C@H](C(=O)NC[C@H]1CCC[C@H]1O)N(C)C ZINC000330437386 386694453 /nfs/dbraw/zinc/69/44/53/386694453.db2.gz ZAZJVDMSRDFKGN-IJLUTSLNSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1C(=O)[C@H](C)N ZINC000335475377 386698237 /nfs/dbraw/zinc/69/82/37/386698237.db2.gz KDUUSPZEGOZLBE-VHSXEESVSA-N 0 3 213.325 0.132 20 0 BCADHN C[C@H]1[C@H](C)N(Cc2ncnn2C)CCN1C ZINC000357041850 386699842 /nfs/dbraw/zinc/69/98/42/386699842.db2.gz PRRXFCXMNAPXNI-UWVGGRQHSA-N 0 3 223.324 0.340 20 0 BCADHN CCN(CC)CC(=O)N[C@@H](C)c1ncnn1C ZINC000330390835 386700315 /nfs/dbraw/zinc/70/03/15/386700315.db2.gz FRMCUPWJUMPNKO-VIFPVBQESA-N 0 3 239.323 0.334 20 0 BCADHN CCCN(C(=O)NCCOC)[C@@H]1CCN(C)C1 ZINC000645096876 386712110 /nfs/dbraw/zinc/71/21/10/386712110.db2.gz HVXBPEGFRGKEGG-LLVKDONJSA-N 0 3 243.351 0.759 20 0 BCADHN COC(=O)CCN1CCN(C)[C@H](C)[C@@H]1C ZINC000357043714 386702068 /nfs/dbraw/zinc/70/20/68/386702068.db2.gz REATVMIPAGBFHW-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN CCN(C)CCNC(=O)COC(F)F ZINC000352843257 386703276 /nfs/dbraw/zinc/70/32/76/386703276.db2.gz OSXUSANKHNPXMA-UHFFFAOYSA-N 0 3 210.224 0.294 20 0 BCADHN CC(=O)C1(C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000339850941 386706550 /nfs/dbraw/zinc/70/65/50/386706550.db2.gz NNZMTUXYXVPJIS-VIFPVBQESA-N 0 3 238.331 0.955 20 0 BCADHN COc1cc(CN(C)C(=O)CN)cc(OC)c1 ZINC000269039958 386740577 /nfs/dbraw/zinc/74/05/77/386740577.db2.gz ICRGAJVAXIGNNV-UHFFFAOYSA-N 0 3 238.287 0.621 20 0 BCADHN CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)C1 ZINC000335533433 386733460 /nfs/dbraw/zinc/73/34/60/386733460.db2.gz NKYGVUYPFQSPHF-MNOVXSKESA-N 0 3 238.331 0.908 20 0 BCADHN N[C@H](C(=O)N[C@H]1C=CCCC1)C1CCOCC1 ZINC000335534907 386736486 /nfs/dbraw/zinc/73/64/86/386736486.db2.gz VBDKKFIFKAPGQO-RYUDHWBXSA-N 0 3 238.331 0.965 20 0 BCADHN CN(C)CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269013405 386737201 /nfs/dbraw/zinc/73/72/01/386737201.db2.gz HTDRKPPCUAUCJU-VIFPVBQESA-N 0 3 222.292 0.465 20 0 BCADHN COCCn1cc(CNCC2(C)COC2)cn1 ZINC000352853376 386737922 /nfs/dbraw/zinc/73/79/22/386737922.db2.gz MJZYCVMVDJYZMY-UHFFFAOYSA-N 0 3 239.319 0.656 20 0 BCADHN CC(C)C[C@@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000122141430 386738469 /nfs/dbraw/zinc/73/84/69/386738469.db2.gz HXXIDCTXVYFHMJ-RKDXNWHRSA-N 0 3 235.349 0.970 20 0 BCADHN CC[C@@H](C(=O)N(C)Cc1cc[nH]n1)N(C)C ZINC000330441348 386739714 /nfs/dbraw/zinc/73/97/14/386739714.db2.gz UWDAFVIYVVGXMO-JTQLQIEISA-N 0 3 224.308 0.708 20 0 BCADHN Cc1noc(CNC(=O)[C@H](C(C)C)N(C)C)n1 ZINC000121727486 386715319 /nfs/dbraw/zinc/71/53/19/386715319.db2.gz VPBMNXOSWUHMKJ-JTQLQIEISA-N 0 3 240.307 0.580 20 0 BCADHN COC[C@H](O)CN[C@H](C)c1cnc(C)nc1C ZINC000268945191 386723166 /nfs/dbraw/zinc/72/31/66/386723166.db2.gz UGPNUOCNTJZTKO-LDYMZIIASA-N 0 3 239.319 0.751 20 0 BCADHN CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)OC(C)C ZINC000137776882 386723712 /nfs/dbraw/zinc/72/37/12/386723712.db2.gz IQEMGDZAWCEDHF-UWVGGRQHSA-N 0 3 244.335 0.816 20 0 BCADHN Cc1c(CN2CCC[C@@H](CO)C2)cnn1C ZINC000268948044 386724583 /nfs/dbraw/zinc/72/45/83/386724583.db2.gz UXUYLZSHNXXQLZ-LLVKDONJSA-N 0 3 223.320 0.933 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726674 386726936 /nfs/dbraw/zinc/72/69/36/386726936.db2.gz LXPFDWQIWWBAST-ONGXEEELSA-N 0 3 225.336 0.323 20 0 BCADHN C[C@H](CO)[C@H](C)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000330472648 386728360 /nfs/dbraw/zinc/72/83/60/386728360.db2.gz PMLFCEGOMFDJQQ-WYUUTHIRSA-N 0 3 242.363 0.992 20 0 BCADHN Cc1c(CN2CCC[C@@H]2CO)cnn1C ZINC000268960681 386728614 /nfs/dbraw/zinc/72/86/14/386728614.db2.gz XMHFRXYEFBTYJP-LLVKDONJSA-N 0 3 209.293 0.685 20 0 BCADHN COC(=O)C1(O)CCN(CC[C@H](C)F)CC1 ZINC000367137304 386728672 /nfs/dbraw/zinc/72/86/72/386728672.db2.gz HIFADGGNVHKSFW-VIFPVBQESA-N 0 3 233.283 0.734 20 0 BCADHN C[C@H](NC(=O)NCCN(C)C)[C@H]1CCCOC1 ZINC000357242740 386745297 /nfs/dbraw/zinc/74/52/97/386745297.db2.gz LVBCWZJDWKBLON-QWRGUYRKSA-N 0 3 243.351 0.662 20 0 BCADHN CCOC[C@@H](O)CN[C@@H](C)c1cnn(C)c1 ZINC000269056423 386746331 /nfs/dbraw/zinc/74/63/31/386746331.db2.gz SIEQBQBSVQSPMY-ONGXEEELSA-N 0 3 227.308 0.468 20 0 BCADHN Cc1nocc1CN[C@H]1CCCN(CCO)C1 ZINC000645153928 386769359 /nfs/dbraw/zinc/76/93/59/386769359.db2.gz UXIXNUTXCXVOOP-LBPRGKRZSA-N 0 3 239.319 0.529 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC000264406578 386749692 /nfs/dbraw/zinc/74/96/92/386749692.db2.gz FSUPSROSLOBNST-VIFPVBQESA-N 0 3 249.318 0.225 20 0 BCADHN CN(C)CCN1CCN(C(=O)C2(C)CC2)CC1 ZINC000348524894 386749774 /nfs/dbraw/zinc/74/97/74/386749774.db2.gz KNGRLRBUXBWMHB-UHFFFAOYSA-N 0 3 239.363 0.492 20 0 BCADHN CC[C@@H](N)C(=O)NCCC[C@@H](O)CC ZINC000336761044 386750537 /nfs/dbraw/zinc/75/05/37/386750537.db2.gz MUCBMJULBAMJLN-DTWKUNHWSA-N 0 3 202.298 0.391 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1nncs1 ZINC000005963136 386751531 /nfs/dbraw/zinc/75/15/31/386751531.db2.gz DZGAMOHWTFTSAO-YFKPBYRVSA-N 0 3 200.267 0.460 20 0 BCADHN Cc1cc(=O)n(C)cc1NC(=O)[C@H](N)C(C)C ZINC000269089173 386752109 /nfs/dbraw/zinc/75/21/09/386752109.db2.gz KCPLOGYWOYUQIK-LLVKDONJSA-N 0 3 237.303 0.616 20 0 BCADHN CCN(CCNC(=O)C1(C(C)=O)CC1)C1CC1 ZINC000339885043 386753093 /nfs/dbraw/zinc/75/30/93/386753093.db2.gz JXXGUEMTQKWFIW-UHFFFAOYSA-N 0 3 238.331 0.956 20 0 BCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1CC1(C)CC1 ZINC000648065548 386753870 /nfs/dbraw/zinc/75/38/70/386753870.db2.gz HULQMZSMGJEZMO-LLVKDONJSA-N 0 3 239.363 0.838 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCC(=O)NC(C)C ZINC000122477331 386754673 /nfs/dbraw/zinc/75/46/73/386754673.db2.gz UHNBJLLLDNCOSQ-MWLCHTKSSA-N 0 3 243.351 0.391 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCCNC(=O)C1CC1 ZINC000122475068 386755262 /nfs/dbraw/zinc/75/52/62/386755262.db2.gz QYRICAZXGPKWKB-PSASIEDQSA-N 0 3 241.335 0.002 20 0 BCADHN CN(C)C/C=C/C(=O)NCCSCCCO ZINC000269158770 386757849 /nfs/dbraw/zinc/75/78/49/386757849.db2.gz NTPPMDYVRMGQIP-HWKANZROSA-N 0 3 246.376 0.336 20 0 BCADHN CCN(CCCCS(C)(=O)=O)[C@@H]1CCOC1 ZINC000643400926 386757919 /nfs/dbraw/zinc/75/79/19/386757919.db2.gz YGZXPGYSTCENAU-LLVKDONJSA-N 0 3 249.376 0.922 20 0 BCADHN CCN(CCCCS(C)(=O)=O)[C@H]1CCOC1 ZINC000643400927 386757993 /nfs/dbraw/zinc/75/79/93/386757993.db2.gz YGZXPGYSTCENAU-NSHDSACASA-N 0 3 249.376 0.922 20 0 BCADHN CN1CCC[C@@H]1C(=O)N(CCCCO)C1CC1 ZINC000344848014 386761837 /nfs/dbraw/zinc/76/18/37/386761837.db2.gz MEGGRVPGUFYUHE-GFCCVEGCSA-N 0 3 240.347 0.844 20 0 BCADHN CSC[C@H](O)CN(C)[C@H]1CCOC1 ZINC000336664541 386762152 /nfs/dbraw/zinc/76/21/52/386762152.db2.gz XEMUYFUTRPTXGE-DTWKUNHWSA-N 0 3 205.323 0.431 20 0 BCADHN C[C@@H](CO)CCCNC(=O)C1CCN(C)CC1 ZINC000340409529 386762324 /nfs/dbraw/zinc/76/23/24/386762324.db2.gz OSJLCRJVFMOWCA-LLVKDONJSA-N 0 3 242.363 0.853 20 0 BCADHN C[C@H](Cn1cncn1)NC(=O)[C@@H](N)C(C)(C)C ZINC000269228138 386763105 /nfs/dbraw/zinc/76/31/05/386763105.db2.gz BEOSRMXBYKLHAO-RKDXNWHRSA-N 0 3 239.323 0.156 20 0 BCADHN C[C@@H]1NCCN(C(=O)c2cccc(=O)n2C)[C@H]1C ZINC000335641424 386763982 /nfs/dbraw/zinc/76/39/82/386763982.db2.gz AQGZCEXIONPWTE-UWVGGRQHSA-N 0 3 249.314 0.208 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC1(N(C)C)CCC1 ZINC000165146278 386764654 /nfs/dbraw/zinc/76/46/54/386764654.db2.gz CCKDSQHCUSUXNO-JTQLQIEISA-N 0 3 248.392 0.493 20 0 BCADHN CN(C)CCNC(=O)c1cncc(Cl)n1 ZINC000192328075 386765766 /nfs/dbraw/zinc/76/57/66/386765766.db2.gz JKICGECWQXFZAG-UHFFFAOYSA-N 0 3 228.683 0.421 20 0 BCADHN CN(C)C(=O)NCCN(C)CCCCCO ZINC000348927621 386768211 /nfs/dbraw/zinc/76/82/11/386768211.db2.gz MKLUEVWRBNHUSU-UHFFFAOYSA-N 0 3 231.340 0.352 20 0 BCADHN CN(C)CCNC(=O)c1cnn2ncccc12 ZINC000348928773 386768854 /nfs/dbraw/zinc/76/88/54/386768854.db2.gz DEEHFVSSZRWGHX-UHFFFAOYSA-N 0 3 233.275 0.021 20 0 BCADHN CC(C)[C@H](N)C(=O)Nc1cc(C(N)=O)n(C)c1 ZINC000269045864 386742343 /nfs/dbraw/zinc/74/23/43/386742343.db2.gz MYWIFNNQIBCWBW-VIFPVBQESA-N 0 3 238.291 0.046 20 0 BCADHN CO[C@](C)(CN[C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000336668169 386789624 /nfs/dbraw/zinc/78/96/24/386789624.db2.gz QWRNBMLUPFOPIK-GXSJLCMTSA-N 0 3 249.376 0.824 20 0 BCADHN Cc1nc(C(=O)NC[C@H]2CCN(C)C2)c(C)o1 ZINC000293250169 386792100 /nfs/dbraw/zinc/79/21/00/386792100.db2.gz DZEJNZPXHWUENR-SNVBAGLBSA-N 0 3 237.303 0.973 20 0 BCADHN COCCCN(C)C(=O)N[C@H](C)CN(C)C ZINC000344886955 386792590 /nfs/dbraw/zinc/79/25/90/386792590.db2.gz HIZHAAFIEKPTSR-SNVBAGLBSA-N 0 3 231.340 0.614 20 0 BCADHN COC[C@H](C)CN1CCSC[C@H]1CO ZINC000639397034 386793881 /nfs/dbraw/zinc/79/38/81/386793881.db2.gz HMEBOFUMUGCAFD-NXEZZACHSA-N 0 3 219.350 0.679 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2ccco2)C1 ZINC000280242045 386794914 /nfs/dbraw/zinc/79/49/14/386794914.db2.gz KOUFNOUCPPLJAQ-LLVKDONJSA-N 0 3 208.261 0.977 20 0 BCADHN C[C@@H](CNC(=O)N1CCOC[C@@H]1C)N(C)C ZINC000334636774 386772185 /nfs/dbraw/zinc/77/21/85/386772185.db2.gz YUSWYNWHGWKHDQ-UWVGGRQHSA-N 0 3 229.324 0.367 20 0 BCADHN CN(CC1(C)COC1)C1(C(N)=O)CCCC1 ZINC000357378426 386773529 /nfs/dbraw/zinc/77/35/29/386773529.db2.gz DUZAJJGEPNDFSI-UHFFFAOYSA-N 0 3 226.320 0.753 20 0 BCADHN CN(CCN1CCCC1)CC(=O)N1CCC1 ZINC000340846975 386773988 /nfs/dbraw/zinc/77/39/88/386773988.db2.gz JRLGBKWHELZOPG-UHFFFAOYSA-N 0 3 225.336 0.246 20 0 BCADHN C[NH+](C)CCC[N-]S(=O)(=O)c1ccco1 ZINC000293123445 386779776 /nfs/dbraw/zinc/77/97/76/386779776.db2.gz VMYOMMKWPMDSDK-UHFFFAOYSA-N 0 3 232.305 0.510 20 0 BCADHN C[C@H](NC[C@]1(O)CCSC1)c1ccnn1C ZINC000192927194 386796956 /nfs/dbraw/zinc/79/69/56/386796956.db2.gz DVWVJTNVSCFPFM-GXSJLCMTSA-N 0 3 241.360 0.939 20 0 BCADHN CC(C(=O)N[C@H]1CCC[C@H]1F)S(C)(=O)=O ZINC000340807205 386780194 /nfs/dbraw/zinc/78/01/94/386780194.db2.gz WNSMWFARRHXQBC-PRJMDXOYSA-N 0 3 237.296 0.426 20 0 BCADHN CC[C@@H](C(=O)N[C@H](C)c1nncn1C)N(C)C ZINC000330539501 386781135 /nfs/dbraw/zinc/78/11/35/386781135.db2.gz GRWOFXWMDYBVAJ-BDAKNGLRSA-N 0 3 239.323 0.333 20 0 BCADHN CN(C)CCNC(=O)[C@H](N)c1ccccc1 ZINC000019802379 386784647 /nfs/dbraw/zinc/78/46/47/386784647.db2.gz RZFGIIROVIYOCD-LLVKDONJSA-N 0 3 221.304 0.364 20 0 BCADHN CC[C@@H](C)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000330611497 386786686 /nfs/dbraw/zinc/78/66/86/386786686.db2.gz PUYIVJIHQZHBRN-NEPJUHHUSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H](O)CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000192520898 386788825 /nfs/dbraw/zinc/78/88/25/386788825.db2.gz CGOGWJGIUYIQQZ-OPRDCNLKSA-N 0 3 241.335 0.292 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000341009952 386817340 /nfs/dbraw/zinc/81/73/40/386817340.db2.gz DOQBYQURCGOPEZ-NSHDSACASA-N 0 3 239.363 0.680 20 0 BCADHN CN(C)CCn1cc(Nc2ncccn2)cn1 ZINC000301182564 386822318 /nfs/dbraw/zinc/82/23/18/386822318.db2.gz QXBYEWJGWHKEJJ-UHFFFAOYSA-N 0 3 232.291 0.978 20 0 BCADHN CO[C@@H](C(=O)NCCN(C)C1CC1)C(C)C ZINC000352877329 386823360 /nfs/dbraw/zinc/82/33/60/386823360.db2.gz PHRQTNKRJVXPDK-LLVKDONJSA-N 0 3 228.336 0.868 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCCCCCO ZINC000192925855 386797501 /nfs/dbraw/zinc/79/75/01/386797501.db2.gz RQJYGUWMUXLTJG-JTQLQIEISA-N 0 3 237.365 0.562 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H]2NCC2(C)C)C[C@H](C)O1 ZINC000645157820 386801363 /nfs/dbraw/zinc/80/13/63/386801363.db2.gz VGOXNLAILZAQJA-KXUCPTDWSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@@H](O)CN1CCN(CCCF)[C@@H](C)C1 ZINC000192959255 386803463 /nfs/dbraw/zinc/80/34/63/386803463.db2.gz FGENRFCXKWLZHA-WDEREUQCSA-N 0 3 218.316 0.733 20 0 BCADHN CC[C@@H]1CN(C)CCN1CC[C@H]1CCNC1=O ZINC000571175962 386803558 /nfs/dbraw/zinc/80/35/58/386803558.db2.gz PKAUTRIQORUOGI-VXGBXAGGSA-N 0 3 239.363 0.539 20 0 BCADHN C[C@H](O)CN1CCC(n2cncn2)CC1 ZINC000192974864 386804581 /nfs/dbraw/zinc/80/45/81/386804581.db2.gz AACBAIQCYSDJBT-VIFPVBQESA-N 0 3 210.281 0.296 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1CCc2cccnc21 ZINC000340949188 386805432 /nfs/dbraw/zinc/80/54/32/386805432.db2.gz LUHRDZIYSOHTOE-LLVKDONJSA-N 0 3 233.315 0.789 20 0 BCADHN CCN1CCC[C@H]1CNCc1cnnn1CC ZINC000417848004 386805666 /nfs/dbraw/zinc/80/56/66/386805666.db2.gz RHGSFNIINCYBCI-NSHDSACASA-N 0 3 237.351 0.872 20 0 BCADHN CCSCCN[C@H](C)C(=O)NCCF ZINC000336669963 386807186 /nfs/dbraw/zinc/80/71/86/386807186.db2.gz YBTCDFHRBDKDQJ-MRVPVSSYSA-N 0 3 222.329 0.803 20 0 BCADHN CO[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)C[C@H]1O ZINC000395306339 386808359 /nfs/dbraw/zinc/80/83/59/386808359.db2.gz XPLCANPETLPESB-HBNTYKKESA-N 0 3 229.320 0.636 20 0 BCADHN COC(=O)CNC(=O)CN1CCC[C@H]1C(C)C ZINC000330639951 386808617 /nfs/dbraw/zinc/80/86/17/386808617.db2.gz CJAORVDPLMZMOP-JTQLQIEISA-N 0 3 242.319 0.396 20 0 BCADHN CS[C@H](CO)[C@H](C)NCc1cnc(C)nc1 ZINC000336670153 386809922 /nfs/dbraw/zinc/80/99/22/386809922.db2.gz GRCYQCHJNKPCQM-GZMMTYOYSA-N 0 3 241.360 0.987 20 0 BCADHN COC[C@H]1CCN(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000344938832 386810077 /nfs/dbraw/zinc/81/00/77/386810077.db2.gz MJHAACHFYHTRIX-QWRGUYRKSA-N 0 3 243.351 0.614 20 0 BCADHN CNC(=O)[C@H]1CC[N@H+](Cc2nc(C)ccc2[O-])C1 ZINC000398473617 386825299 /nfs/dbraw/zinc/82/52/99/386825299.db2.gz RNVMXZHQLLBIAZ-JTQLQIEISA-N 0 3 249.314 0.664 20 0 BCADHN CNC(=O)[C@H]1CC[N@@H+](Cc2nc(C)ccc2[O-])C1 ZINC000398473617 386825303 /nfs/dbraw/zinc/82/53/03/386825303.db2.gz RNVMXZHQLLBIAZ-JTQLQIEISA-N 0 3 249.314 0.664 20 0 BCADHN CNC(=O)[C@@H]1CC[N@H+](Cc2nc(C)ccc2[O-])C1 ZINC000398473618 386826001 /nfs/dbraw/zinc/82/60/01/386826001.db2.gz RNVMXZHQLLBIAZ-SNVBAGLBSA-N 0 3 249.314 0.664 20 0 BCADHN CNC(=O)[C@@H]1CC[N@@H+](Cc2nc(C)ccc2[O-])C1 ZINC000398473618 386826006 /nfs/dbraw/zinc/82/60/06/386826006.db2.gz RNVMXZHQLLBIAZ-SNVBAGLBSA-N 0 3 249.314 0.664 20 0 BCADHN C[C@@H]1OCC[C@@H]1N(CCO)CCn1ccnc1 ZINC000330103647 386828282 /nfs/dbraw/zinc/82/82/82/386828282.db2.gz GLDVUWFRKNHXAL-RYUDHWBXSA-N 0 3 239.319 0.355 20 0 BCADHN CC(=O)N1CC[C@@H](N[C@H](C)c2ccnn2C)C1 ZINC000408448664 386831769 /nfs/dbraw/zinc/83/17/69/386831769.db2.gz ZCYNFSPLTLVBOQ-MWLCHTKSSA-N 0 3 236.319 0.692 20 0 BCADHN Cc1cc(C(=O)N[C@@H](C)CN(C)C)nn1C ZINC000330691675 386832473 /nfs/dbraw/zinc/83/24/73/386832473.db2.gz ZERIVBGERRQLRS-QMMMGPOBSA-N 0 3 224.308 0.408 20 0 BCADHN COC[C@H](NCc1ccc(OC)nn1)C1CC1 ZINC000283248898 386835429 /nfs/dbraw/zinc/83/54/29/386835429.db2.gz VFFHYMJUTVKPMQ-NSHDSACASA-N 0 3 237.303 1.000 20 0 BCADHN CC(C)[C@H](C(=O)N1C[C@@H](O)C(C)(C)C1)N(C)C ZINC000334781981 386837717 /nfs/dbraw/zinc/83/77/17/386837717.db2.gz VZUGSTYTPIQJNA-GHMZBOCLSA-N 0 3 242.363 0.802 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CC(O)C1 ZINC000334781726 386837945 /nfs/dbraw/zinc/83/79/45/386837945.db2.gz SAVZCPHTHRATBQ-DTORHVGOSA-N 0 3 212.293 0.062 20 0 BCADHN CCN(C[C@@H](C)O)C(=O)C12CCCN1CCC2 ZINC000341098112 386837969 /nfs/dbraw/zinc/83/79/69/386837969.db2.gz JJRXQNPYKPMEHL-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN Cc1[nH]cnc1CC(=O)NCC1(O)CCCC1 ZINC000280696898 386838144 /nfs/dbraw/zinc/83/81/44/386838144.db2.gz DWRQCBNLGDJSTC-UHFFFAOYSA-N 0 3 237.303 0.682 20 0 BCADHN COc1nccc(CN[C@](C)(CO)C(C)C)n1 ZINC000398552916 386838528 /nfs/dbraw/zinc/83/85/28/386838528.db2.gz GETLDJSOONPODC-GFCCVEGCSA-N 0 3 239.319 0.982 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@@H]1CSC[C@@H]1C ZINC000357743600 386839978 /nfs/dbraw/zinc/83/99/78/386839978.db2.gz TTZVPUQUAOSWKO-IVZWLZJFSA-N 0 3 245.392 0.987 20 0 BCADHN C[C@@H](CNCc1cnn(C)n1)Cn1ccnc1 ZINC000293585048 386843585 /nfs/dbraw/zinc/84/35/85/386843585.db2.gz NXTIPZLOAOJULV-JTQLQIEISA-N 0 3 234.307 0.438 20 0 BCADHN CS[C@@H]1CC[C@@H]1N[C@H]1CCCNC1=O ZINC000425341753 386845436 /nfs/dbraw/zinc/84/54/36/386845436.db2.gz GDIVOGNUXFBGPW-XHNCKOQMSA-N 0 3 214.334 0.749 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2N)C[C@@H](C)O1 ZINC000331363062 386845636 /nfs/dbraw/zinc/84/56/36/386845636.db2.gz ABGJFLWZAFAXDZ-RGOKHQFPSA-N 0 3 212.293 0.360 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCC[C@H](S(N)(=O)=O)C1 ZINC000331373942 386846634 /nfs/dbraw/zinc/84/66/34/386846634.db2.gz HEPJSMLKAVCARB-UTLUCORTSA-N 0 3 232.349 0.395 20 0 BCADHN COC(=O)[C@@H](C)N1CCCN(C(C)C)CC1 ZINC000357817951 386846615 /nfs/dbraw/zinc/84/66/15/386846615.db2.gz AAWRBAMNXLNKQN-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CCc1cc(N2CCN3C(=O)NC[C@H]3C2)ccn1 ZINC000334786325 386847342 /nfs/dbraw/zinc/84/73/42/386847342.db2.gz OTWBJEGGAKKHTP-LBPRGKRZSA-N 0 3 246.314 0.858 20 0 BCADHN C[C@H](CCO)NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341163066 386849794 /nfs/dbraw/zinc/84/97/94/386849794.db2.gz MERJRDNZDKFAIA-GMTAPVOTSA-N 0 3 243.351 0.539 20 0 BCADHN CCCCOCCN(C)CCC(=O)NC ZINC000341163343 386850574 /nfs/dbraw/zinc/85/05/74/386850574.db2.gz CJMYACYQLXGXRN-UHFFFAOYSA-N 0 3 216.325 0.871 20 0 BCADHN COC(=O)C1(CN(C)[C@]2(CO)CCOC2)CC1 ZINC000331421589 386850780 /nfs/dbraw/zinc/85/07/80/386850780.db2.gz BDZDDXHEPUORJI-LBPRGKRZSA-N 0 3 243.303 0.023 20 0 BCADHN CN(C[C@@H]1CCCN1C)[C@H]1CCN(C)C1=O ZINC000334788981 386851315 /nfs/dbraw/zinc/85/13/15/386851315.db2.gz HVAGCLXRXKLQJZ-QWRGUYRKSA-N 0 3 225.336 0.243 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@@H](O)C1CCCCC1 ZINC000330672264 386853939 /nfs/dbraw/zinc/85/39/39/386853939.db2.gz GCQQCLZLTNGJBS-JQWIXIFHSA-N 0 3 242.363 0.994 20 0 BCADHN CN(C[C@H]1CCCN1C)[C@@H]1CCN(C)C1=O ZINC000334788968 386851587 /nfs/dbraw/zinc/85/15/87/386851587.db2.gz HVAGCLXRXKLQJZ-GHMZBOCLSA-N 0 3 225.336 0.243 20 0 BCADHN C[C@H](N[C@@H]1CN(C2CC2)C[C@H]1C)C(=O)N(C)C ZINC000357829441 386852026 /nfs/dbraw/zinc/85/20/26/386852026.db2.gz BTEXOGCJSCYXLH-JFGNBEQYSA-N 0 3 239.363 0.535 20 0 BCADHN Cc1cc(CCN[C@H](C)CC(N)=O)on1 ZINC000336674506 386852273 /nfs/dbraw/zinc/85/22/73/386852273.db2.gz AFOGNDNRDRPMKZ-SSDOTTSWSA-N 0 3 211.265 0.379 20 0 BCADHN C[C@H](Cc1cnccn1)NCc1ccnn1C ZINC000340434404 386852939 /nfs/dbraw/zinc/85/29/39/386852939.db2.gz HJYCFNKCSYFFBY-SNVBAGLBSA-N 0 3 231.303 0.931 20 0 BCADHN O=C(COC1CNC1)Nc1ccccc1O ZINC000358113615 386893193 /nfs/dbraw/zinc/89/31/93/386893193.db2.gz DIXASSZNVGWGTR-UHFFFAOYSA-N 0 3 222.244 0.319 20 0 BCADHN Cc1cnn(CC(=O)N[C@@H](C)CN(C)C)c1 ZINC000330674956 386854839 /nfs/dbraw/zinc/85/48/39/386854839.db2.gz ITYPZFSPRGBSKH-JTQLQIEISA-N 0 3 224.308 0.258 20 0 BCADHN COC[C@@H](O)CCN[C@H](C)c1ccnn1C ZINC000193063175 386856210 /nfs/dbraw/zinc/85/62/10/386856210.db2.gz ACJZTRJRKBAUEC-ZJUUUORDSA-N 0 3 227.308 0.468 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)[C@H](O)C(C)C ZINC000349542934 386862853 /nfs/dbraw/zinc/86/28/53/386862853.db2.gz OBASZDPIDKYVKR-WDEREUQCSA-N 0 3 228.336 0.604 20 0 BCADHN CCN1CCC(NC(=O)[C@@H](O)C(C)C)CC1 ZINC000349542615 386863418 /nfs/dbraw/zinc/86/34/18/386863418.db2.gz BWZJNFLUUHDMHE-NSHDSACASA-N 0 3 228.336 0.604 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@@H](O)C(C)C ZINC000349542932 386863896 /nfs/dbraw/zinc/86/38/96/386863896.db2.gz OBASZDPIDKYVKR-MNOVXSKESA-N 0 3 228.336 0.604 20 0 BCADHN Cc1cnc(CNCCOCCN(C)C)n1C ZINC000341256336 386868134 /nfs/dbraw/zinc/86/81/34/386868134.db2.gz HJDQTKWDOOROMW-UHFFFAOYSA-N 0 3 240.351 0.396 20 0 BCADHN C[C@@H](NC(=O)[C@H]1CCCO1)C1=CCN(C)CC1 ZINC000334832426 386870866 /nfs/dbraw/zinc/87/08/66/386870866.db2.gz CHUAHSJVJDLPLR-ZYHUDNBSSA-N 0 3 238.331 0.932 20 0 BCADHN CN(C)CCN(C)C(=O)[C@@]1(C)CCCOC1 ZINC000357963026 386873845 /nfs/dbraw/zinc/87/38/45/386873845.db2.gz RSURJJXZDRPEJV-LBPRGKRZSA-N 0 3 228.336 0.823 20 0 BCADHN CC(C)CCNC(=O)[C@H](C)N1CC[C@H](CO)C1 ZINC000051888001 386873900 /nfs/dbraw/zinc/87/39/00/386873900.db2.gz YJXVPKBJUUQMKO-RYUDHWBXSA-N 0 3 242.363 0.851 20 0 BCADHN CCN(CCNC(=O)c1nccc(C)n1)C1CC1 ZINC000331602046 386874833 /nfs/dbraw/zinc/87/48/33/386874833.db2.gz ZMHYHGVWXLZADV-UHFFFAOYSA-N 0 3 248.330 0.999 20 0 BCADHN CC/C=C/CCN1CC[C@@H](S(N)(=O)=O)C1 ZINC000341324263 386880639 /nfs/dbraw/zinc/88/06/39/386880639.db2.gz WDXCGTNUGLGMRM-HMDXOVGESA-N 0 3 232.349 0.706 20 0 BCADHN CC/C=C\CCN1CC[C@@H](S(N)(=O)=O)C1 ZINC000341324264 386881478 /nfs/dbraw/zinc/88/14/78/386881478.db2.gz WDXCGTNUGLGMRM-UMBAGQNISA-N 0 3 232.349 0.706 20 0 BCADHN CC/C=C/CCN1CC[C@H](S(N)(=O)=O)C1 ZINC000341324262 386881833 /nfs/dbraw/zinc/88/18/33/386881833.db2.gz WDXCGTNUGLGMRM-FSIBCCDJSA-N 0 3 232.349 0.706 20 0 BCADHN Cc1cc(CCNC(=O)NCCN(C)C)on1 ZINC000358047563 386882606 /nfs/dbraw/zinc/88/26/06/386882606.db2.gz KQCPYXBHIZLCBS-UHFFFAOYSA-N 0 3 240.307 0.386 20 0 BCADHN C[C@H](N[C@H]1CN(C)C[C@@H]1C)C(=O)NC(C)(C)C ZINC000358034695 386882963 /nfs/dbraw/zinc/88/29/63/386882963.db2.gz HWEMZGVTUIEKKQ-DCAQKATOSA-N 0 3 241.379 0.829 20 0 BCADHN C[C@H](C(=O)NC1CC1)N(C)[C@@H]1CCC[C@H]1O ZINC000331698594 386883356 /nfs/dbraw/zinc/88/33/56/386883356.db2.gz VLBUOCGSEBVPLH-FBIMIBRVSA-N 0 3 226.320 0.499 20 0 BCADHN CCN(CC)CCn1cnnc1[S@@](C)=O ZINC000330776893 386884318 /nfs/dbraw/zinc/88/43/18/386884318.db2.gz JOYWUOOVPRYBEC-OAHLLOKOSA-N 0 3 230.337 0.357 20 0 BCADHN C[C@H](NCCCc1cnn(C)n1)c1cnn(C)c1 ZINC000293816466 386885060 /nfs/dbraw/zinc/88/50/60/386885060.db2.gz WBMCRKMTAIVAGM-JTQLQIEISA-N 0 3 248.334 0.832 20 0 BCADHN CC(C)[C@H](C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358052840 386885566 /nfs/dbraw/zinc/88/55/66/386885566.db2.gz VDQVPHCEKUINQL-CMPLNLGQSA-N 0 3 228.336 0.461 20 0 BCADHN Cc1c([C@@H](C)NCCC(=O)N(C)C)cnn1C ZINC000330734023 386885917 /nfs/dbraw/zinc/88/59/17/386885917.db2.gz UHSFGMQFHIQXDZ-SECBINFHSA-N 0 3 238.335 0.857 20 0 BCADHN CS[C@H](C)CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358082808 386887515 /nfs/dbraw/zinc/88/75/15/386887515.db2.gz UJOMRXFUJYOSLM-MWLCHTKSSA-N 0 3 246.376 0.311 20 0 BCADHN Cc1cnn(C)c1CNCC[C@H](C)[S@](C)=O ZINC000336739379 386888938 /nfs/dbraw/zinc/88/89/38/386888938.db2.gz LEKLONQYFPOKGJ-QFYYESIMSA-N 0 3 243.376 0.975 20 0 BCADHN C[C@]1(C(N)=O)CCN(CC(=O)NC2CC2)C1 ZINC000331833490 386914198 /nfs/dbraw/zinc/91/41/98/386914198.db2.gz FBVKEIUCAJRNQU-NSHDSACASA-N 0 3 225.292 0.512 20 0 BCADHN CC[C@H](NC[C@H]1COCCO1)c1cnn(C)c1 ZINC000358226382 386915699 /nfs/dbraw/zinc/91/56/99/386915699.db2.gz SUDJOFALIZKXPQ-RYUDHWBXSA-N 0 3 239.319 0.876 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)N2CCC2)CCCN1C ZINC000341470889 386916057 /nfs/dbraw/zinc/91/60/57/386916057.db2.gz YZXXJLISPMQGIF-ZJUUUORDSA-N 0 3 211.309 0.884 20 0 BCADHN CC(C)[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000331845079 386916727 /nfs/dbraw/zinc/91/67/27/386916727.db2.gz GOYRQSKXENESMU-LOWVWBTDSA-N 0 3 240.347 0.461 20 0 BCADHN CC1(C)CC[C@H](CN2CC[C@@H](NC(N)=O)C2)O1 ZINC000335770789 386918369 /nfs/dbraw/zinc/91/83/69/386918369.db2.gz WUXWFNBFZVCMBF-NXEZZACHSA-N 0 3 241.335 0.687 20 0 BCADHN CC1(C)CC[C@@H](CN2CC[C@H](NC(N)=O)C2)O1 ZINC000335770790 386918436 /nfs/dbraw/zinc/91/84/36/386918436.db2.gz WUXWFNBFZVCMBF-UWVGGRQHSA-N 0 3 241.335 0.687 20 0 BCADHN C[C@@H]1[C@H](Nc2nccc(CO)n2)CCCN1C ZINC000341568796 386919114 /nfs/dbraw/zinc/91/91/14/386919114.db2.gz RRBRGMJMTBWNHF-MWLCHTKSSA-N 0 3 236.319 0.864 20 0 BCADHN Cn1ccnc1CN1CCC[C@@H](c2nc[nH]n2)C1 ZINC000331768238 386897275 /nfs/dbraw/zinc/89/72/75/386897275.db2.gz CQDXCYHZOMGPIP-SNVBAGLBSA-N 0 3 246.318 0.918 20 0 BCADHN CC(C)[C@H](CO)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331768598 386897684 /nfs/dbraw/zinc/89/76/84/386897684.db2.gz MMEIQSDSPVUZGX-PWSUYJOCSA-N 0 3 240.347 0.604 20 0 BCADHN CCc1ccc(CNC[C@]2(O)CCN(C)C2)o1 ZINC000358140872 386898901 /nfs/dbraw/zinc/89/89/01/386898901.db2.gz PCYYPBJQYYZIRU-CYBMUJFWSA-N 0 3 238.331 0.998 20 0 BCADHN CC[C@H](N[C@@H]1CCC(=O)NC1)c1cnn(C)c1 ZINC000358140757 386899362 /nfs/dbraw/zinc/89/93/62/386899362.db2.gz YAJJVXFIFCFOFT-MNOVXSKESA-N 0 3 236.319 0.739 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCC(F)(F)C(F)F ZINC000331774060 386900178 /nfs/dbraw/zinc/90/01/78/386900178.db2.gz QUXKJCXRXZCUAZ-IUYQGCFVSA-N 0 3 214.162 0.350 20 0 BCADHN CN(C[C@H]1CCOC1)C(=O)[C@@H]1CCCN1C ZINC000334851778 386902254 /nfs/dbraw/zinc/90/22/54/386902254.db2.gz LGAKGIVOZLBTCS-MNOVXSKESA-N 0 3 226.320 0.576 20 0 BCADHN O=C(CC1CC1)NC[C@@H]1CCCCN1CCO ZINC000331782422 386902771 /nfs/dbraw/zinc/90/27/71/386902771.db2.gz AXLDSMJUKLZEPF-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@@H](NC[C@@]1(O)CCN(C)C1)c1nccn1C ZINC000330870333 386906206 /nfs/dbraw/zinc/90/62/06/386906206.db2.gz FMYPGLPMNJPUAO-PWSUYJOCSA-N 0 3 238.335 0.137 20 0 BCADHN CCN(C)CCNC(=O)[C@]1(C)CCCOC1 ZINC000358178185 386907424 /nfs/dbraw/zinc/90/74/24/386907424.db2.gz VYRUXMYZHUKWSJ-GFCCVEGCSA-N 0 3 228.336 0.871 20 0 BCADHN CCCCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000341461170 386907926 /nfs/dbraw/zinc/90/79/26/386907926.db2.gz UMMZJAUMZRCXKW-LLVKDONJSA-N 0 3 243.351 0.806 20 0 BCADHN CCCCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000341461173 386908228 /nfs/dbraw/zinc/90/82/28/386908228.db2.gz UMMZJAUMZRCXKW-NSHDSACASA-N 0 3 243.351 0.806 20 0 BCADHN CC1(C(=O)N[C@@H](CO)CN2CCCCC2)CC1 ZINC000331795800 386908361 /nfs/dbraw/zinc/90/83/61/386908361.db2.gz DGWIAVJLLFOPLE-LLVKDONJSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@H](NC[C@]1(O)CCN(C)C1)c1cnn(C)c1 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MPZSNFGMKQCOQP-DTWKUNHWSA-N 0 3 217.313 0.271 20 0 BCADHN CC[C@@H](CO)NC(=O)N[C@H](C)CN(C)C ZINC000358523645 386974309 /nfs/dbraw/zinc/97/43/09/386974309.db2.gz SSPLKWGXVPHOAG-BDAKNGLRSA-N 0 3 217.313 0.007 20 0 BCADHN COC[C@H](C)[N@@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000332377089 386974857 /nfs/dbraw/zinc/97/48/57/386974857.db2.gz FEAQSXHOVNMDOJ-IUCAKERBSA-N 0 3 210.281 0.629 20 0 BCADHN COC[C@H](C)[N@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000332377089 386974862 /nfs/dbraw/zinc/97/48/62/386974862.db2.gz FEAQSXHOVNMDOJ-IUCAKERBSA-N 0 3 210.281 0.629 20 0 BCADHN CN(CCOC[C@@H]1CCCO1)CC1(CO)CC1 ZINC000526088546 386976245 /nfs/dbraw/zinc/97/62/45/386976245.db2.gz YVULUEGPRLDVLF-LBPRGKRZSA-N 0 3 243.347 0.886 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N(C)CC1(CO)CC1 ZINC000358535005 386976698 /nfs/dbraw/zinc/97/66/98/386976698.db2.gz WNJWYNPKBKGGJI-JTQLQIEISA-N 0 3 243.351 0.350 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N1CCO[C@H](C)[C@H]1C ZINC000358535713 386977010 /nfs/dbraw/zinc/97/70/10/386977010.db2.gz XQZAXIHUVMIJFG-GMTAPVOTSA-N 0 3 243.351 0.755 20 0 BCADHN COC[C@H](O)CN1CC[C@@H](c2cccnc2)C1 ZINC000514601095 387008039 /nfs/dbraw/zinc/00/80/39/387008039.db2.gz ZJRFZFVNGHYIBT-CHWSQXEVSA-N 0 3 236.315 0.878 20 0 BCADHN CC(C(=O)N[C@H]1CC12CCCC2)S(C)(=O)=O ZINC000334903922 386978994 /nfs/dbraw/zinc/97/89/94/386978994.db2.gz MBBQCPNGPVMUHJ-IUCAKERBSA-N 0 3 245.344 0.868 20 0 BCADHN CN(C)CCNC(=O)CCc1cncn1C ZINC000331173090 386980907 /nfs/dbraw/zinc/98/09/07/386980907.db2.gz KFBSMROCAUWXLD-UHFFFAOYSA-N 0 3 224.308 0.031 20 0 BCADHN O=C1CCN(CCCCCF)CCN1 ZINC000368499985 386981717 /nfs/dbraw/zinc/98/17/17/386981717.db2.gz UXHGEZPOAOOVSV-UHFFFAOYSA-N 0 3 202.273 0.948 20 0 BCADHN COC[C@H](N[C@@H](C)C(=O)N(C)C)[C@H]1CCCO1 ZINC000331228670 386982553 /nfs/dbraw/zinc/98/25/53/386982553.db2.gz GQPLOHMRUUAMCA-GARJFASQSA-N 0 3 244.335 0.247 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CC)[C@@H](C)O)N(C)C ZINC000332491276 386986407 /nfs/dbraw/zinc/98/64/07/386986407.db2.gz FKSAMWFYJNVFLA-KXUCPTDWSA-N 0 3 216.325 0.602 20 0 BCADHN CCN(CC)CC(=O)N1C[C@H](O)C2(CC2)C1 ZINC000368756766 387008294 /nfs/dbraw/zinc/00/82/94/387008294.db2.gz JFKCRQTVVWFOIK-JTQLQIEISA-N 0 3 226.320 0.312 20 0 BCADHN CC[C@@H](C(=O)NC[C@H](O)C(F)F)N(C)C ZINC000332516591 386988447 /nfs/dbraw/zinc/98/84/47/386988447.db2.gz PIKRBDDOMNDTAK-BQBZGAKWSA-N 0 3 224.251 0.069 20 0 BCADHN Cc1[nH]ncc1CN1CC[C@H](S(C)(=O)=O)C1 ZINC000332599876 386992402 /nfs/dbraw/zinc/99/24/02/386992402.db2.gz AOUMWCJEAGAVPE-JTQLQIEISA-N 0 3 243.332 0.337 20 0 BCADHN CCN(CC)CC(=O)N1CC(n2ccnn2)C1 ZINC000368603269 386992484 /nfs/dbraw/zinc/99/24/84/386992484.db2.gz QBXJCTZYIYXHDM-UHFFFAOYSA-N 0 3 237.307 0.003 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)[C@@H]2CO[C@H](C)C2)C1 ZINC000525893604 386992640 /nfs/dbraw/zinc/99/26/40/386992640.db2.gz KXIHMFZNOKXBDW-UTUOFQBUSA-N 0 3 240.347 0.869 20 0 BCADHN CCO[C@H](C)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000368594536 386992757 /nfs/dbraw/zinc/99/27/57/386992757.db2.gz RGWOEDVGNBLPTD-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C(=O)NCCC(F)(F)F)S(C)(=O)=O ZINC000332529939 386992867 /nfs/dbraw/zinc/99/28/67/386992867.db2.gz XJXCWRBNSBTCAX-YFKPBYRVSA-N 0 3 247.238 0.488 20 0 BCADHN COC(=O)CCCN1CCCC[C@H]1C(=N)NO ZINC000368646599 386997361 /nfs/dbraw/zinc/99/73/61/386997361.db2.gz XTFMMXNFVVXHOL-VIFPVBQESA-N 0 3 243.307 0.750 20 0 BCADHN CCCCN(C)C[C@@H](C)NS(C)(=O)=O ZINC000341944535 387000270 /nfs/dbraw/zinc/00/02/70/387000270.db2.gz BTAJMDQEROIIEO-SECBINFHSA-N 0 3 222.354 0.656 20 0 BCADHN CCC[C@](C)(O)C(=O)NC1CCN(C)CC1 ZINC000358711228 387001631 /nfs/dbraw/zinc/00/16/31/387001631.db2.gz BMCMRMNMCYYHCM-LBPRGKRZSA-N 0 3 228.336 0.748 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)C[C@H]1CCC[C@H]1O ZINC000331319285 387002636 /nfs/dbraw/zinc/00/26/36/387002636.db2.gz KEKLAGKSHAMOJN-IJLUTSLNSA-N 0 3 229.320 0.419 20 0 BCADHN CCC[C@]1(CO)CCCN1CC(=O)NCC ZINC000331318899 387002655 /nfs/dbraw/zinc/00/26/55/387002655.db2.gz DPWRZHMLMQLCTD-GFCCVEGCSA-N 0 3 228.336 0.750 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000358730594 387004001 /nfs/dbraw/zinc/00/40/01/387004001.db2.gz BMMFCYATLNBGLR-VXGBXAGGSA-N 0 3 241.379 0.879 20 0 BCADHN CC(C)(N)C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000161940282 387004417 /nfs/dbraw/zinc/00/44/17/387004417.db2.gz WGMXZKQHQWJFMS-BXKDBHETSA-N 0 3 228.336 0.781 20 0 BCADHN C[C@@H]1C[C@@H](CO)CN([C@@H]2CCCCNC2=O)C1 ZINC000398829037 387004790 /nfs/dbraw/zinc/00/47/90/387004790.db2.gz PFGNMBGQMIIEAJ-IJLUTSLNSA-N 0 3 240.347 0.605 20 0 BCADHN CC(C)CC(=O)NC[C@@H]1CCCCN1CCO ZINC000331328326 387004956 /nfs/dbraw/zinc/00/49/56/387004956.db2.gz NQGCCLCZSJTKFK-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H](CCO)c1ccccc1 ZINC000341974920 387006021 /nfs/dbraw/zinc/00/60/21/387006021.db2.gz WEEUWKUFMVONFJ-PWSUYJOCSA-N 0 3 236.315 0.964 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC(CCCO)CC1 ZINC000331331277 387006321 /nfs/dbraw/zinc/00/63/21/387006321.db2.gz OPTBXGOJZQLYDA-CYBMUJFWSA-N 0 3 243.347 0.811 20 0 BCADHN CC(C(=O)N(C)Cc1ccc[nH]1)S(C)(=O)=O ZINC000331052885 386950186 /nfs/dbraw/zinc/95/01/86/386950186.db2.gz ZIYZKIWFWKBDPM-MRVPVSSYSA-N 0 3 244.316 0.406 20 0 BCADHN O=C1NC[C@H]2CN(Cc3cc[nH]c3)CC[C@@H]12 ZINC000368217520 386950305 /nfs/dbraw/zinc/95/03/05/386950305.db2.gz YOTITLBVPHXRKK-WDEREUQCSA-N 0 3 219.288 0.583 20 0 BCADHN CSC1(CN2CCN3CCOC[C@H]3C2)CC1 ZINC000334953446 387030271 /nfs/dbraw/zinc/03/02/71/387030271.db2.gz UWFAQMQBSGKUPO-LLVKDONJSA-N 0 3 242.388 0.898 20 0 BCADHN C[C@H]1CCCCN1C(=O)NC[C@@H]1CNCCO1 ZINC000334953619 387030677 /nfs/dbraw/zinc/03/06/77/387030677.db2.gz RSYDJUAZWBMSLS-QWRGUYRKSA-N 0 3 241.335 0.559 20 0 BCADHN C[C@@H]1CCCCN1C(=O)NC[C@H]1CNCCO1 ZINC000334953617 387030771 /nfs/dbraw/zinc/03/07/71/387030771.db2.gz RSYDJUAZWBMSLS-GHMZBOCLSA-N 0 3 241.335 0.559 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ccc(C(=O)OC)o1 ZINC000358901034 387031100 /nfs/dbraw/zinc/03/11/00/387031100.db2.gz QNABUMPPQQVNQD-MRVPVSSYSA-N 0 3 240.259 0.420 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@]1(C)CCOC1 ZINC000336764017 387031524 /nfs/dbraw/zinc/03/15/24/387031524.db2.gz PSYAINHFNMTFNS-UWVGGRQHSA-N 0 3 235.349 0.436 20 0 BCADHN CO[C@@H](CN1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC000425380217 387031696 /nfs/dbraw/zinc/03/16/96/387031696.db2.gz CXWJVNSELLSQMW-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN Cn1cc(CN2CC[C@H](c3nnc[nH]3)C2)cn1 ZINC000333375956 387031712 /nfs/dbraw/zinc/03/17/12/387031712.db2.gz ARSWPYYSPIJUOE-JTQLQIEISA-N 0 3 232.291 0.528 20 0 BCADHN CCSCC[C@H](C)N(C)C(=O)[C@@H](CN)OC ZINC000353055356 387033033 /nfs/dbraw/zinc/03/30/33/387033033.db2.gz ZSIFHRIMDNOEEB-VHSXEESVSA-N 0 3 248.392 0.950 20 0 BCADHN C[C@H](O)CCN1CCCC[C@H]1C(N)=O ZINC000425383402 387033597 /nfs/dbraw/zinc/03/35/97/387033597.db2.gz KXNQPOYBTIRCDX-IUCAKERBSA-N 0 3 200.282 0.097 20 0 BCADHN Cc1cc(CN[C@H]2C[C@@](C)(O)C2)n(C)n1 ZINC000334956288 387033641 /nfs/dbraw/zinc/03/36/41/387033641.db2.gz VUNKRRPRZPVLIV-JGZJWPJOSA-N 0 3 209.293 0.732 20 0 BCADHN Cc1cnn(C)c1CN[C@H]1C[C@@](C)(O)C1 ZINC000334955587 387034080 /nfs/dbraw/zinc/03/40/80/387034080.db2.gz LYFABHXYBREADU-JGZJWPJOSA-N 0 3 209.293 0.732 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000353061133 387034867 /nfs/dbraw/zinc/03/48/67/387034867.db2.gz FDZBPBWOTTZUCD-NWDGAFQWSA-N 0 3 242.363 0.804 20 0 BCADHN CC(C)[C@H](O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000353061132 387035045 /nfs/dbraw/zinc/03/50/45/387035045.db2.gz FDZBPBWOTTZUCD-NEPJUHHUSA-N 0 3 242.363 0.804 20 0 BCADHN CSCCN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000369267564 387035255 /nfs/dbraw/zinc/03/52/55/387035255.db2.gz QUDKCRNMOBMNLB-NEPJUHHUSA-N 0 3 244.404 0.880 20 0 BCADHN N[C@@H](C(=O)NCCOCC1CC1)C1CCC1 ZINC000399008207 387037039 /nfs/dbraw/zinc/03/70/39/387037039.db2.gz VOYCTBVIROSDRI-LLVKDONJSA-N 0 3 226.320 0.657 20 0 BCADHN CCOC(=O)CCCNC(=O)[C@H](N)C1CCC1 ZINC000398998811 387037318 /nfs/dbraw/zinc/03/73/18/387037318.db2.gz AUHZXLSDXWKWAI-LLVKDONJSA-N 0 3 242.319 0.573 20 0 BCADHN CN(CCC1CC1)C(=O)NC[C@@H]1CNCCO1 ZINC000333503277 387038605 /nfs/dbraw/zinc/03/86/05/387038605.db2.gz HZVZAWVTUNOKKR-NSHDSACASA-N 0 3 241.335 0.416 20 0 BCADHN COC[C@H](N[C@H]1CCCN(C)C1=O)C(C)C ZINC000336764480 387038617 /nfs/dbraw/zinc/03/86/17/387038617.db2.gz NFTQEHBTNPBQOH-QWRGUYRKSA-N 0 3 228.336 0.868 20 0 BCADHN CCOCC[C@H](O)CN1CCOC[C@@H](C)C1 ZINC000369319220 387038810 /nfs/dbraw/zinc/03/88/10/387038810.db2.gz LLOAGOQHGWWPLC-RYUDHWBXSA-N 0 3 231.336 0.742 20 0 BCADHN CSCCN1CCC[C@H](N2CCNC2=O)C1 ZINC000369391968 387040229 /nfs/dbraw/zinc/04/02/29/387040229.db2.gz DINVDGHZBMIARI-JTQLQIEISA-N 0 3 243.376 0.839 20 0 BCADHN CC(C)N(C)CC(=O)N(C)CC[C@H](C)O ZINC000304978282 387041811 /nfs/dbraw/zinc/04/18/11/387041811.db2.gz FRLCZNRCXIXMFO-JTQLQIEISA-N 0 3 216.325 0.556 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@H](c2nnc[nH]2)C1 ZINC000333533856 387042086 /nfs/dbraw/zinc/04/20/86/387042086.db2.gz YPDKQFFSRFXLTL-JTQLQIEISA-N 0 3 246.318 0.836 20 0 BCADHN CCN(CC1CC1)C(=O)NC[C@@H]1CNCCO1 ZINC000333574767 387043400 /nfs/dbraw/zinc/04/34/00/387043400.db2.gz SNTVOYKMERLPRC-NSHDSACASA-N 0 3 241.335 0.416 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000333620825 387045258 /nfs/dbraw/zinc/04/52/58/387045258.db2.gz UFGZOFNDQUJTHH-VLEAKVRGSA-N 0 3 239.319 0.073 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@@H](O)C(C)(C)C ZINC000324389341 387045564 /nfs/dbraw/zinc/04/55/64/387045564.db2.gz YNQHZCNJFDPFTA-DTWKUNHWSA-N 0 3 216.325 0.637 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CCC[C@]1(C)CO ZINC000305083326 387045712 /nfs/dbraw/zinc/04/57/12/387045712.db2.gz NAXWUVIIWMKQLE-DGCLKSJQSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@@H]1[C@@H](CO)CCN1Cc1cncnc1 ZINC000425958821 387047662 /nfs/dbraw/zinc/04/76/62/387047662.db2.gz HLSOHYLGNVLUIT-MWLCHTKSSA-N 0 3 207.277 0.679 20 0 BCADHN C[C@H]1OCC[C@H]1NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000333680647 387049347 /nfs/dbraw/zinc/04/93/47/387049347.db2.gz ZQFAUFKMLZHPCW-UKKRHICBSA-N 0 3 241.335 0.556 20 0 BCADHN CN(C)CCNC(=O)CCC1CCOCC1 ZINC000096783650 387050411 /nfs/dbraw/zinc/05/04/11/387050411.db2.gz DGORBJQRQISWBA-UHFFFAOYSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@@H]1CCCN1C(=O)NC[C@H]1CNCCO1 ZINC000334968816 387053170 /nfs/dbraw/zinc/05/31/70/387053170.db2.gz QZRDJWMKGFYCFO-NXEZZACHSA-N 0 3 227.308 0.169 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CCNC[C@@](C)(F)C1 ZINC000334973379 387057708 /nfs/dbraw/zinc/05/77/08/387057708.db2.gz OEKWRXTWQJECDE-MWLCHTKSSA-N 0 3 231.315 0.097 20 0 BCADHN CC(C)N(C)C(=O)CN1CCNC[C@](C)(F)C1 ZINC000334973344 387058045 /nfs/dbraw/zinc/05/80/45/387058045.db2.gz NHOZKFSYVBKRPN-LBPRGKRZSA-N 0 3 245.342 0.487 20 0 BCADHN O=C(CN1CC[C@H]2OCC[C@H]2C1)NC1CC1 ZINC000369646577 387059254 /nfs/dbraw/zinc/05/92/54/387059254.db2.gz HRUIWEZBXBSKKV-GXSJLCMTSA-N 0 3 224.304 0.376 20 0 BCADHN CC(C)(O)CN1CCNC[C@](C)(F)C1 ZINC000334974939 387059380 /nfs/dbraw/zinc/05/93/80/387059380.db2.gz VOZSONYQRWHHAL-JTQLQIEISA-N 0 3 204.289 0.391 20 0 BCADHN CC[C@@H](C(=O)N[C@@H](C)CC(=O)OC)N(C)C ZINC000359149392 387059482 /nfs/dbraw/zinc/05/94/82/387059482.db2.gz NDOWFPJDKSQSCN-IUCAKERBSA-N 0 3 230.308 0.394 20 0 BCADHN C[C@@]1(F)CNCCN(CC(=O)N2CCCC2)C1 ZINC000334974279 387060422 /nfs/dbraw/zinc/06/04/22/387060422.db2.gz RZYKNNNFKBYNPQ-GFCCVEGCSA-N 0 3 243.326 0.242 20 0 BCADHN CC(C)N(C)CC(=O)N1CCNC[C@@](C)(F)C1 ZINC000336221685 387061061 /nfs/dbraw/zinc/06/10/61/387061061.db2.gz CMVNVXOMOZMVFN-GFCCVEGCSA-N 0 3 245.342 0.487 20 0 BCADHN Cc1c[nH]cc(C(=O)NC[C@@H](C)N(C)C)c1=O ZINC000334033357 387061940 /nfs/dbraw/zinc/06/19/40/387061940.db2.gz XEHAOKGKAPXZGX-SECBINFHSA-N 0 3 237.303 0.363 20 0 BCADHN O[C@@H]1COCC[C@H]1NCc1ccccc1 ZINC000575465770 387063088 /nfs/dbraw/zinc/06/30/88/387063088.db2.gz UTSLYINVZSXZEP-VXGBXAGGSA-N 0 3 207.273 0.926 20 0 BCADHN CC(=O)[C@](C)(O)CN(C)C[C@@H]1CCCC[C@H]1O ZINC000331297689 387010663 /nfs/dbraw/zinc/01/06/63/387010663.db2.gz DCZJOZBZDZLVQS-YNEHKIRRSA-N 0 3 243.347 0.809 20 0 BCADHN CCC[C@]1(CO)CCCN1CC(=O)NC(N)=O ZINC000331304786 387011318 /nfs/dbraw/zinc/01/13/18/387011318.db2.gz UQHQZNIQVMVFJA-LLVKDONJSA-N 0 3 243.307 0.222 20 0 BCADHN CO[C@@H]1CCC[C@@H]1CNC(=O)NCCN(C)C ZINC000342002966 387013731 /nfs/dbraw/zinc/01/37/31/387013731.db2.gz MJAQWJGWLIQPDL-GHMZBOCLSA-N 0 3 243.351 0.662 20 0 BCADHN C[C@@H](CO)[C@H](C)NCC(=O)N1CCC[C@@H](C)C1 ZINC000358791813 387014440 /nfs/dbraw/zinc/01/44/40/387014440.db2.gz MACKIAXULMFMRY-WOPDTQHZSA-N 0 3 242.363 0.851 20 0 BCADHN COC(=O)C1(C)CN(C[C@H]2CCCOC2)C1 ZINC000425373458 387015128 /nfs/dbraw/zinc/01/51/28/387015128.db2.gz MSCUDYUAFGYLCC-SNVBAGLBSA-N 0 3 227.304 0.908 20 0 BCADHN CC[C@H](O)CC(=O)NCCN1CC=C(C)CC1 ZINC000331348789 387016709 /nfs/dbraw/zinc/01/67/09/387016709.db2.gz XKHQDEBXLNZQKG-LBPRGKRZSA-N 0 3 240.347 0.916 20 0 BCADHN Cc1nc([C@H]2CCCCN2C(=O)[C@@H](C)N)no1 ZINC000648021806 387017168 /nfs/dbraw/zinc/01/71/68/387017168.db2.gz LPJKGXGXPHMGKL-VXNVDRBHSA-N 0 3 238.291 0.779 20 0 BCADHN C[C@H](CC(N)=O)N[C@H]1COc2ccccc2C1 ZINC000267289609 387017945 /nfs/dbraw/zinc/01/79/45/387017945.db2.gz XMFJKMYEQVYYEW-MWLCHTKSSA-N 0 3 234.299 0.844 20 0 BCADHN COC(=O)CCN1CC[C@@H](n2cncn2)C1 ZINC000368881649 387018033 /nfs/dbraw/zinc/01/80/33/387018033.db2.gz GRGCZVNSSKVCFK-SECBINFHSA-N 0 3 224.264 0.088 20 0 BCADHN COCCn1cnnc1SC[C@@H](C)N(C)C ZINC000358854550 387024717 /nfs/dbraw/zinc/02/47/17/387024717.db2.gz OWBFJJDRFLMGPQ-SECBINFHSA-N 0 3 244.364 0.967 20 0 BCADHN N[C@@H](C(=O)NCc1nccs1)C1CCC1 ZINC000398944298 387026898 /nfs/dbraw/zinc/02/68/98/387026898.db2.gz ABQKTPOTEXOVHV-SECBINFHSA-N 0 3 225.317 0.887 20 0 BCADHN CC[C@H](N[C@@H]1CC[C@H]1SC)C(=O)NC ZINC000425370307 387028352 /nfs/dbraw/zinc/02/83/52/387028352.db2.gz NUNYAGPCZHTFCY-DJLDLDEBSA-N 0 3 216.350 0.995 20 0 BCADHN C[C@H](F)CCN1CC[C@@H]2[C@H](C1)NC(=O)N2C ZINC000352377082 387130204 /nfs/dbraw/zinc/13/02/04/387130204.db2.gz WTIDXTPOGSSIPR-LPEHRKFASA-N 0 3 229.299 0.832 20 0 BCADHN CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCO ZINC000246318742 387072041 /nfs/dbraw/zinc/07/20/41/387072041.db2.gz CAIYRZOVSODIIZ-GHMZBOCLSA-N 0 3 228.336 0.748 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N1CC(C)(C)C[C@H]1C ZINC000334983607 387072178 /nfs/dbraw/zinc/07/21/78/387072178.db2.gz CUMRIFOVNPVROI-RKDXNWHRSA-N 0 3 241.335 0.097 20 0 BCADHN CS[C@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC000336237043 387072754 /nfs/dbraw/zinc/07/27/54/387072754.db2.gz HVALDNYAUQENLA-DTWKUNHWSA-N 0 3 214.334 0.702 20 0 BCADHN Cn1cccc1CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000369890141 387075739 /nfs/dbraw/zinc/07/57/39/387075739.db2.gz WFACHZCCJSPCOU-WCBMZHEXSA-N 0 3 225.267 0.341 20 0 BCADHN CCOC[C@H](C)NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418046192 387075680 /nfs/dbraw/zinc/07/56/80/387075680.db2.gz QBTBISSICOPNEH-AXFHLTTASA-N 0 3 243.351 0.803 20 0 BCADHN COCCCC(=O)N(C)CCN(C)C1CC1 ZINC000186727536 387130535 /nfs/dbraw/zinc/13/05/35/387130535.db2.gz WGDCHXTYNNIFBZ-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1[C@H](C)C1(F)F)N(C)C ZINC000359287420 387078874 /nfs/dbraw/zinc/07/88/74/387078874.db2.gz AOUNNLBXAYZLSQ-CSMHCCOUSA-N 0 3 220.263 0.954 20 0 BCADHN COCC[C@H](C)NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417427890 387081475 /nfs/dbraw/zinc/08/14/75/387081475.db2.gz RELPGBASJRLGLJ-DCAQKATOSA-N 0 3 243.351 0.803 20 0 BCADHN COCC[C@H](C)NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000417427892 387081781 /nfs/dbraw/zinc/08/17/81/387081781.db2.gz RELPGBASJRLGLJ-HBNTYKKESA-N 0 3 243.351 0.803 20 0 BCADHN CO[C@H](C)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000118954810 387082238 /nfs/dbraw/zinc/08/22/38/387082238.db2.gz JTGALNHIXNFXMD-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN COC[C@H](NC[C@@H](C)OC)[C@@H]1CCCO1 ZINC000336765809 387083211 /nfs/dbraw/zinc/08/32/11/387083211.db2.gz REPMDWXHRQRJRA-VWYCJHECSA-N 0 3 217.309 0.805 20 0 BCADHN CCCCN(C)CCNC(=O)CC(=O)OCC ZINC000352379619 387130830 /nfs/dbraw/zinc/13/08/30/387130830.db2.gz ULZRFLOMCWPVQE-UHFFFAOYSA-N 0 3 244.335 0.788 20 0 BCADHN C[C@H]1[C@H](C(=O)N(C)CCN(C)C)C1(F)F ZINC000359329789 387084537 /nfs/dbraw/zinc/08/45/37/387084537.db2.gz LGXOKSLRDDYKLV-JGVFFNPUSA-N 0 3 220.263 0.908 20 0 BCADHN C[C@@]1(O)C[C@H](NCc2cc(C(N)=O)cs2)C1 ZINC000418122302 387084813 /nfs/dbraw/zinc/08/48/13/387084813.db2.gz XTDQXZRWGTZHPV-DKTWLAJQSA-N 0 3 240.328 0.850 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@H]([C@H](C)O)C1 ZINC000228269482 387085678 /nfs/dbraw/zinc/08/56/78/387085678.db2.gz PMKPJYFXRMRCFD-QWRGUYRKSA-N 0 3 223.320 0.931 20 0 BCADHN CCOCCNC(=O)CN[C@H](CO)C(C)(C)C ZINC000193100197 387086458 /nfs/dbraw/zinc/08/64/58/387086458.db2.gz DWOFZJBXIPBLEF-SNVBAGLBSA-N 0 3 246.351 0.136 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCCC[C@H](CO)C1 ZINC000370070836 387086743 /nfs/dbraw/zinc/08/67/43/387086743.db2.gz PXNJEEGXAACKKI-MNOVXSKESA-N 0 3 240.347 0.748 20 0 BCADHN CN(C1CNC1)S(=O)(=O)c1ccsc1 ZINC000334998202 387089770 /nfs/dbraw/zinc/08/97/70/387089770.db2.gz MEFADLWWMQXYPO-UHFFFAOYSA-N 0 3 232.330 0.340 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCCOCC(F)F ZINC000188758319 387090971 /nfs/dbraw/zinc/09/09/71/387090971.db2.gz IFGVAIPYVTUPLF-ZETCQYMHSA-N 0 3 245.291 0.291 20 0 BCADHN CO[C@H](C(=O)NC[C@@H](C)N(C)C)C(C)C ZINC000352343679 387091656 /nfs/dbraw/zinc/09/16/56/387091656.db2.gz RAHPDIYGSWJTSV-ZJUUUORDSA-N 0 3 216.325 0.724 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H](C)CSC ZINC000066928128 387092177 /nfs/dbraw/zinc/09/21/77/387092177.db2.gz PLGKEUYSTBTHQZ-JTQLQIEISA-N 0 3 248.392 0.680 20 0 BCADHN CCC(C)(C)CNC(=O)NC[C@H]1CNCCO1 ZINC000418083373 387092333 /nfs/dbraw/zinc/09/23/33/387092333.db2.gz ZVCCDVCEIRRLHC-SNVBAGLBSA-N 0 3 243.351 0.710 20 0 BCADHN C[C@H](N[C@H]1CCCN(C)[C@@H]1C)c1nncn1C ZINC000352340311 387092635 /nfs/dbraw/zinc/09/26/35/387092635.db2.gz MPDOLJHCXFNETA-AXFHLTTASA-N 0 3 237.351 0.948 20 0 BCADHN CCCC[C@@H](N)C(=O)N(C)CCC(=O)NC ZINC000228450229 387092844 /nfs/dbraw/zinc/09/28/44/387092844.db2.gz KIRAEFRDAPMFJB-SECBINFHSA-N 0 3 229.324 0.098 20 0 BCADHN CS[C@H](CO)[C@H](C)NCc1cc(C)nn1C ZINC000228380013 387092966 /nfs/dbraw/zinc/09/29/66/387092966.db2.gz FJPUZLRGXBRMBI-GXSJLCMTSA-N 0 3 243.376 0.931 20 0 BCADHN CCCC[C@@H](N)C(=O)NCc1nncn1CC ZINC000228451231 387093142 /nfs/dbraw/zinc/09/31/42/387093142.db2.gz RIRXRABIPBQREM-SECBINFHSA-N 0 3 239.323 0.432 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC000066898553 387093206 /nfs/dbraw/zinc/09/32/06/387093206.db2.gz DFSQGZPKDLRTOE-GHMZBOCLSA-N 0 3 226.320 0.623 20 0 BCADHN CS[C@@H](CO)[C@H](C)NCc1cc(C)nn1C ZINC000228380008 387093158 /nfs/dbraw/zinc/09/31/58/387093158.db2.gz FJPUZLRGXBRMBI-ONGXEEELSA-N 0 3 243.376 0.931 20 0 BCADHN CS[C@@H](CO)[C@@H](C)NCc1cc(C)nn1C ZINC000228379991 387093559 /nfs/dbraw/zinc/09/35/59/387093559.db2.gz FJPUZLRGXBRMBI-KOLCDFICSA-N 0 3 243.376 0.931 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)[C@@H]1CCCO1 ZINC000186749427 387131186 /nfs/dbraw/zinc/13/11/86/387131186.db2.gz LRLSMQNUGUNQTK-NSHDSACASA-N 0 3 226.320 0.718 20 0 BCADHN Cn1nccc1CNC[C@@H]1CC[C@@H](O)C1 ZINC000188836503 387094446 /nfs/dbraw/zinc/09/44/46/387094446.db2.gz ZRTJTUVKPVODRN-MWLCHTKSSA-N 0 3 209.293 0.671 20 0 BCADHN CO[C@@H]1COC[C@@H]1N[C@@H]1COC(C)(C)C1 ZINC000418086828 387094604 /nfs/dbraw/zinc/09/46/04/387094604.db2.gz FCEMIXMNUPCAAK-LPEHRKFASA-N 0 3 215.293 0.557 20 0 BCADHN CCN(CC1CC1)C(=O)C(C)S(C)(=O)=O ZINC000112178664 387096821 /nfs/dbraw/zinc/09/68/21/387096821.db2.gz CAUDFYVVAUDGFX-QMMMGPOBSA-N 0 3 233.333 0.678 20 0 BCADHN CSC[C@@H](O)CN1CCC[C@H]2COC[C@H]21 ZINC000370224474 387097650 /nfs/dbraw/zinc/09/76/50/387097650.db2.gz JEUKFXFOWJWCGD-GARJFASQSA-N 0 3 231.361 0.821 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](CCO)C(C)C ZINC000228503848 387100026 /nfs/dbraw/zinc/10/00/26/387100026.db2.gz AFBNMZUUWSCXHN-AXFHLTTASA-N 0 3 230.352 0.883 20 0 BCADHN COC(C)(C)C[C@H](C)NC(=O)[C@H](C)N ZINC000162002478 387101952 /nfs/dbraw/zinc/10/19/52/387101952.db2.gz WKMUWHPVESAKNX-YUMQZZPRSA-N 0 3 202.298 0.653 20 0 BCADHN CS[C@H]1CCN(CC(=O)N(C)C)C1 ZINC000336273439 387105662 /nfs/dbraw/zinc/10/56/62/387105662.db2.gz NICGGHBEDMBTQN-QMMMGPOBSA-N 0 3 202.323 0.512 20 0 BCADHN CCN(C(=O)C(C)S(C)(=O)=O)C(C)C ZINC000112796910 387108732 /nfs/dbraw/zinc/10/87/32/387108732.db2.gz PZRGOTGSVKWUJM-QMMMGPOBSA-N 0 3 221.322 0.676 20 0 BCADHN CCN(C)CCNC(=O)[C@@](C)(CC)OC ZINC000359481598 387109740 /nfs/dbraw/zinc/10/97/40/387109740.db2.gz KRDBNHQCONLMRG-LLVKDONJSA-N 0 3 216.325 0.869 20 0 BCADHN CSCCCC(=O)N1CCCNCC1 ZINC000071552693 387110691 /nfs/dbraw/zinc/11/06/91/387110691.db2.gz WIXHELSPLZXDET-UHFFFAOYSA-N 0 3 216.350 0.952 20 0 BCADHN CCCN(C)[C@H](C)C(=O)NC(=O)NCC ZINC000069092724 387112426 /nfs/dbraw/zinc/11/24/26/387112426.db2.gz IFNDQKQQYJDDOC-MRVPVSSYSA-N 0 3 215.297 0.562 20 0 BCADHN CCCN(C)[C@@H](C)C(=O)NCCCOC ZINC000069091125 387112508 /nfs/dbraw/zinc/11/25/08/387112508.db2.gz AKOKSMFRJWVXGJ-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN Cc1cc(=O)[nH]cc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000237636635 387112865 /nfs/dbraw/zinc/11/28/65/387112865.db2.gz MADVKZRTZSPMSE-UWVGGRQHSA-N 0 3 249.314 0.506 20 0 BCADHN CNCC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000335024601 387116340 /nfs/dbraw/zinc/11/63/40/387116340.db2.gz ASRWTBOBQORPPA-NXEZZACHSA-N 0 3 228.336 0.461 20 0 BCADHN C[C@@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)N(C)C ZINC000336280248 387116579 /nfs/dbraw/zinc/11/65/79/387116579.db2.gz OHQACLHKFKBODB-KOLCDFICSA-N 0 3 248.326 0.926 20 0 BCADHN CN(C[C@@H]1CCC[C@H]1O)C(=O)C1(N)CCCC1 ZINC000335024918 387116904 /nfs/dbraw/zinc/11/69/04/387116904.db2.gz PNKCWXKUAJRWMG-WDEREUQCSA-N 0 3 240.347 0.877 20 0 BCADHN C[C@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)N(C)C ZINC000336280250 387117107 /nfs/dbraw/zinc/11/71/07/387117107.db2.gz OHQACLHKFKBODB-ONGXEEELSA-N 0 3 248.326 0.926 20 0 BCADHN CCN1CC[C@H](NC(=O)[C@]2(C)C[C@@H]2F)C1 ZINC000424868025 387117231 /nfs/dbraw/zinc/11/72/31/387117231.db2.gz AOHLNYIKPAOOFF-ATZCPNFKSA-N 0 3 214.284 0.945 20 0 BCADHN CC(C)(C)[C@@H]1CCN(C(=O)C2(N)CC2)C[C@H]1O ZINC000335025158 387117291 /nfs/dbraw/zinc/11/72/91/387117291.db2.gz FVWIIMBKPDIBQT-NXEZZACHSA-N 0 3 240.347 0.733 20 0 BCADHN CN(C)CCN(C)C(=O)CC1CCOCC1 ZINC000359554535 387121696 /nfs/dbraw/zinc/12/16/96/387121696.db2.gz WUFZXJHKDSHYND-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN CN(C)C[C@@](C)(O)CNC(=O)[C@H]1CCSC1 ZINC000228751439 387123868 /nfs/dbraw/zinc/12/38/68/387123868.db2.gz NTMVTIXBWCYEEL-ONGXEEELSA-N 0 3 246.376 0.168 20 0 BCADHN NCC(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000335029399 387123903 /nfs/dbraw/zinc/12/39/03/387123903.db2.gz LENBHAQHHIZGNP-ONGXEEELSA-N 0 3 208.236 0.699 20 0 BCADHN CN(CCOC(C)(C)C)[C@]1(CO)CCOC1 ZINC000359577726 387125637 /nfs/dbraw/zinc/12/56/37/387125637.db2.gz QREGZUYIYICDEM-LBPRGKRZSA-N 0 3 231.336 0.885 20 0 BCADHN COC[C@H](N[C@@H]1CCOC1)[C@@H]1CCCO1 ZINC000336766900 387126200 /nfs/dbraw/zinc/12/62/00/387126200.db2.gz SCGRENUJQMBUNB-VWYCJHECSA-N 0 3 215.293 0.559 20 0 BCADHN COC[C@@H](NCC(=O)N1CCC1)C1CC1 ZINC000336766906 387126745 /nfs/dbraw/zinc/12/67/45/387126745.db2.gz SDCHQNAMUGQVGM-SNVBAGLBSA-N 0 3 212.293 0.233 20 0 BCADHN CO[C@H](CN)C(=O)N1CCCC[C@H](C)C1 ZINC000335030895 387126968 /nfs/dbraw/zinc/12/69/68/387126968.db2.gz UFRWTGRBBSDPEP-VHSXEESVSA-N 0 3 214.309 0.609 20 0 BCADHN CCOC(=O)CCN(C)CCN(C)C1CC1 ZINC000186729943 387128214 /nfs/dbraw/zinc/12/82/14/387128214.db2.gz GSYMUDCBTKQOCE-UHFFFAOYSA-N 0 3 228.336 0.966 20 0 BCADHN CCCCN(C)CCNC(=O)[C@@H]1COCCO1 ZINC000352382660 387129881 /nfs/dbraw/zinc/12/98/81/387129881.db2.gz QYODTWQHDKPGFI-NSHDSACASA-N 0 3 244.335 0.250 20 0 BCADHN CCC[C@H]1CNCCN1C(=O)Cc1ccn[nH]1 ZINC000359202616 387067661 /nfs/dbraw/zinc/06/76/61/387067661.db2.gz CCPOOHDDTAUNIR-NSHDSACASA-N 0 3 236.319 0.553 20 0 BCADHN C[C@@H]1C[C@H](C(=O)NCC2=CCN(C)CC2)CO1 ZINC000336315795 387141965 /nfs/dbraw/zinc/14/19/65/387141965.db2.gz RUDCIRQGPBLNLX-PWSUYJOCSA-N 0 3 238.331 0.790 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NC[C@H](CO)C1CC1 ZINC000359655482 387142424 /nfs/dbraw/zinc/14/24/24/387142424.db2.gz ULAXROVAXDOJOV-GXSJLCMTSA-N 0 3 243.351 0.254 20 0 BCADHN CC(C)[C@](C)(O)CN1CCNC(=O)CC1 ZINC000186947518 387147162 /nfs/dbraw/zinc/14/71/62/387147162.db2.gz KLFCYAFOCJOTBH-LLVKDONJSA-N 0 3 214.309 0.215 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000353163331 387147274 /nfs/dbraw/zinc/14/72/74/387147274.db2.gz HVNGTCWKBZELKK-SECBINFHSA-N 0 3 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C[C@@H]1CSCCN1C(=O)C[C@@H]1CNCCO1 ZINC000085620299 387151360 /nfs/dbraw/zinc/15/13/60/387151360.db2.gz MFOVGAQKPLSJRN-NXEZZACHSA-N 0 3 244.360 0.329 20 0 BCADHN CN(C)C(=O)C1(NC[C@H]2CCCC[C@H]2O)CC1 ZINC000514674966 387152911 /nfs/dbraw/zinc/15/29/11/387152911.db2.gz AWYFKTWPMGKBIZ-GHMZBOCLSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C)C2)C1(F)F ZINC000359736447 387156765 /nfs/dbraw/zinc/15/67/65/387156765.db2.gz DKWVFTIHRLROQE-KHQFGBGNSA-N 0 3 248.273 0.070 20 0 BCADHN O=C(C[C@H]1CSCCN1)N1CCSCC1 ZINC000085612804 387159696 /nfs/dbraw/zinc/15/96/96/387159696.db2.gz WHBXYTLPRLFJDV-VIFPVBQESA-N 0 3 246.401 0.657 20 0 BCADHN CCOCCCNC(=O)C[C@@H]1CSCCN1 ZINC000085612674 387160011 /nfs/dbraw/zinc/16/00/11/387160011.db2.gz SNESEJUTJSPLBN-SNVBAGLBSA-N 0 3 246.376 0.624 20 0 BCADHN Cn1ccc(NC(=O)C[C@@H]2CSCCN2)n1 ZINC000085613387 387161155 /nfs/dbraw/zinc/16/11/55/387161155.db2.gz UUQUDKHTPJCLLJ-MRVPVSSYSA-N 0 3 240.332 0.454 20 0 BCADHN CC[C@H](COC)NC(=O)C[C@H]1CSCCN1 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231.296 0.912 20 0 BCADHN C[C@@H](CF)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000353393099 387194923 /nfs/dbraw/zinc/19/49/23/387194923.db2.gz FRNQMPLGPADGCM-IUCAKERBSA-N 0 3 229.299 0.880 20 0 BCADHN CSCC[C@@H](N)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000229706592 387195255 /nfs/dbraw/zinc/19/52/55/387195255.db2.gz MXRXTGPFMLOCLG-IONNQARKSA-N 0 3 242.348 0.667 20 0 BCADHN CCCC[N@H+](C)CCCOC([O-])=NC(N)=O ZINC000120884275 387196256 /nfs/dbraw/zinc/19/62/56/387196256.db2.gz UXSVJPRFZSHGIA-UHFFFAOYSA-N 0 3 231.296 0.913 20 0 BCADHN CCCC[N@@H+](C)CCCOC([O-])=NC(N)=O ZINC000120884275 387196258 /nfs/dbraw/zinc/19/62/58/387196258.db2.gz UXSVJPRFZSHGIA-UHFFFAOYSA-N 0 3 231.296 0.913 20 0 BCADHN CCCC[N@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000120884275 387196261 /nfs/dbraw/zinc/19/62/61/387196261.db2.gz UXSVJPRFZSHGIA-UHFFFAOYSA-N 0 3 231.296 0.913 20 0 BCADHN CCCC[N@@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000120884275 387196265 /nfs/dbraw/zinc/19/62/65/387196265.db2.gz UXSVJPRFZSHGIA-UHFFFAOYSA-N 0 3 231.296 0.913 20 0 BCADHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)N(C)C ZINC000300367077 387200309 /nfs/dbraw/zinc/20/03/09/387200309.db2.gz MKSJMBLRWSEPIG-LSJOCFKGSA-N 0 3 226.320 0.620 20 0 BCADHN C[C@H](CN(C)C)NC(=O)NCc1cccn1C ZINC000354018313 387312018 /nfs/dbraw/zinc/31/20/18/387312018.db2.gz FINWGYZOLPASNF-SNVBAGLBSA-N 0 3 238.335 0.774 20 0 BCADHN CCN1C[C@H](C)[C@H](N[C@H]2CNCCC2(F)F)C1 ZINC000423467327 387315497 /nfs/dbraw/zinc/31/54/97/387315497.db2.gz DQICVUHWZGEZHE-AXFHLTTASA-N 0 3 247.333 0.913 20 0 BCADHN C[C@H](N)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000353669050 387256114 /nfs/dbraw/zinc/25/61/14/387256114.db2.gz RSHCZNMSCXNWOL-YFKPBYRVSA-N 0 3 236.197 0.731 20 0 BCADHN Cc1c(CN2CC[C@H](CO)[C@H]2C)cnn1C ZINC000336429697 387256344 /nfs/dbraw/zinc/25/63/44/387256344.db2.gz VTEHDIIWTZLORO-GHMZBOCLSA-N 0 3 223.320 0.931 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CCC[C@@H](C2CC2)C1 ZINC000336428018 387256757 /nfs/dbraw/zinc/25/67/57/387256757.db2.gz AUSCUWMFSCUGQC-PSASIEDQSA-N 0 3 239.319 0.692 20 0 BCADHN CCN(CCOC)C[C@@H](O)COCC(C)C ZINC000353696941 387260283 /nfs/dbraw/zinc/26/02/83/387260283.db2.gz CYOAIDTWYVREKC-GFCCVEGCSA-N 0 3 233.352 0.988 20 0 BCADHN COC[C@@H](C)[C@H](C)C(=O)N(C)CCN(C)C ZINC000360335698 387265392 /nfs/dbraw/zinc/26/53/92/387265392.db2.gz RQKROXNIJLHMRP-MNOVXSKESA-N 0 3 230.352 0.925 20 0 BCADHN CCOC(=O)COCCN1CC[C@@H](C)[C@@H](O)C1 ZINC000230265723 387265546 /nfs/dbraw/zinc/26/55/46/387265546.db2.gz YJJLPJYDPABBMQ-MNOVXSKESA-N 0 3 245.319 0.269 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CO[C@H](C)C1)N(C)C ZINC000352507616 387267151 /nfs/dbraw/zinc/26/71/51/387267151.db2.gz KSJGIVWEQQZXQM-BBBLOLIVSA-N 0 3 214.309 0.478 20 0 BCADHN CN1CCC[C@@H](NC(=O)c2coc(CN)c2)C1 ZINC000645684706 387267448 /nfs/dbraw/zinc/26/74/48/387267448.db2.gz DTNGVKNNRZJJLR-SNVBAGLBSA-N 0 3 237.303 0.562 20 0 BCADHN CCN(CC(=O)N1CCN(C)CC1)C(C)C ZINC000120772168 387268161 /nfs/dbraw/zinc/26/81/61/387268161.db2.gz SLCWWVDPRDIQFZ-UHFFFAOYSA-N 0 3 227.352 0.491 20 0 BCADHN CC(C(=O)N[C@H]1CC[C@H](F)C1)S(C)(=O)=O ZINC000360361766 387271348 /nfs/dbraw/zinc/27/13/48/387271348.db2.gz LRFGVUBPNMQGIG-CSMHCCOUSA-N 0 3 237.296 0.426 20 0 BCADHN CC(C)[C@@H](O)C(C)(C)CNC(=O)C1(N)CC1 ZINC000353769397 387272267 /nfs/dbraw/zinc/27/22/67/387272267.db2.gz QWCQQAJYUOSYIT-SECBINFHSA-N 0 3 228.336 0.637 20 0 BCADHN C[C@@H](N)C(=O)N1CCCC[C@@H]1Cn1cccn1 ZINC000372101241 387274358 /nfs/dbraw/zinc/27/43/58/387274358.db2.gz ICMRIEWUFZALJP-GHMZBOCLSA-N 0 3 236.319 0.611 20 0 BCADHN Cc1cnn(C)c1CNC[C@H]1CC[C@@H](O)C1 ZINC000285815004 387278508 /nfs/dbraw/zinc/27/85/08/387278508.db2.gz GODUNSUABBKJRB-WDEREUQCSA-N 0 3 223.320 0.979 20 0 BCADHN C[C@H](C(=O)N(C)C)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000372156155 387279350 /nfs/dbraw/zinc/27/93/50/387279350.db2.gz IYHUDAXYLPTATB-WOPDTQHZSA-N 0 3 240.347 0.822 20 0 BCADHN C[C@H](CNC[C@@H]1CCC[C@H]1O)S(C)(=O)=O ZINC000514726185 387279567 /nfs/dbraw/zinc/27/95/67/387279567.db2.gz KCFITIUSEHWHBD-KXUCPTDWSA-N 0 3 235.349 0.170 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)NCC(C)(C)O)CCN1C ZINC000336452245 387280192 /nfs/dbraw/zinc/28/01/92/387280192.db2.gz OKRZPMXTNLKISD-NXEZZACHSA-N 0 3 243.351 0.539 20 0 BCADHN CC[C@H]1CO[C@H](C)CN1CCC(=O)N(C)C ZINC000353852386 387284453 /nfs/dbraw/zinc/28/44/53/387284453.db2.gz BVASLRDQMGWXAW-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CN(C(=O)CC(C)(C)O)[C@@H]1CCCN(C)C1 ZINC000336459363 387286450 /nfs/dbraw/zinc/28/64/50/387286450.db2.gz UDQQFASHLAUFHR-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@@H](N)C(=O)N1CCC(Nc2cccnc2)CC1 ZINC000360445689 387286635 /nfs/dbraw/zinc/28/66/35/387286635.db2.gz HXCRMHXGEVSTHV-SNVBAGLBSA-N 0 3 248.330 0.832 20 0 BCADHN Cc1cc(C(=O)N2CCC[C@H](N(C)C)C2)ncn1 ZINC000161966761 387289262 /nfs/dbraw/zinc/28/92/62/387289262.db2.gz TXPQQKLMZWHLIY-NSHDSACASA-N 0 3 248.330 0.951 20 0 BCADHN C[C@H](CC(N)=O)NC[C@H]1NCCc2ccccc21 ZINC000423443686 387293499 /nfs/dbraw/zinc/29/34/99/387293499.db2.gz XFUFBOFPLGYHOD-ZWNOBZJWSA-N 0 3 247.342 0.727 20 0 BCADHN CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)NC)C1 ZINC000514799171 387293950 /nfs/dbraw/zinc/29/39/50/387293950.db2.gz TXERTXNIVRCXNO-NXEZZACHSA-N 0 3 241.335 0.112 20 0 BCADHN CN1CCC[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000121098515 387294055 /nfs/dbraw/zinc/29/40/55/387294055.db2.gz BZNDKDPOUFGXPI-LLVKDONJSA-N 0 3 225.336 0.291 20 0 BCADHN C[C@@H]1CC[C@@H]1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000514808955 387294281 /nfs/dbraw/zinc/29/42/81/387294281.db2.gz KLRLQBHFTRWSRJ-SCVCMEIPSA-N 0 3 241.335 0.151 20 0 BCADHN CC(C)C[C@H](CO)N(C)CCN1CCCC1=O ZINC000360480909 387295508 /nfs/dbraw/zinc/29/55/08/387295508.db2.gz BWVCIHHWPLDKRK-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN CN(CC1CCN(C)CC1)S(C)(=O)=O ZINC000078496940 387296292 /nfs/dbraw/zinc/29/62/92/387296292.db2.gz LNQJEUDZIXWLIV-UHFFFAOYSA-N 0 3 220.338 0.220 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)N1CCCCO1 ZINC000514850127 387298357 /nfs/dbraw/zinc/29/83/57/387298357.db2.gz FRZGHQVHFYTSDU-QMMMGPOBSA-N 0 3 249.261 0.721 20 0 BCADHN Cc1cnccc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000353919236 387299794 /nfs/dbraw/zinc/29/97/94/387299794.db2.gz YQVNFGOJRSBGRW-CYBMUJFWSA-N 0 3 249.314 0.186 20 0 BCADHN CC(C)=CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000302975867 387300839 /nfs/dbraw/zinc/30/08/39/387300839.db2.gz HIMCKYQDCGTSGJ-NWDGAFQWSA-N 0 3 238.331 0.932 20 0 BCADHN CCC[C@@](C)(N)C(=O)Nc1nncs1 ZINC000261529327 387306306 /nfs/dbraw/zinc/30/63/06/387306306.db2.gz RGRORQUETOAOGU-MRVPVSSYSA-N 0 3 214.294 0.994 20 0 BCADHN CO[C@H](C(=O)NCCNc1ccncc1)C1CC1 ZINC000352548784 387306683 /nfs/dbraw/zinc/30/66/83/387306683.db2.gz VXZXRURYRPDBSU-LBPRGKRZSA-N 0 3 249.314 0.457 20 0 BCADHN C[C@@H](CNC(=O)c1ncn(C)n1)N(C)C1CC1 ZINC000353993477 387306791 /nfs/dbraw/zinc/30/67/91/387306791.db2.gz SQFITGWITPLLGG-QMMMGPOBSA-N 0 3 237.307 0.028 20 0 BCADHN C[C@H](N)C(=O)N1CCc2ccsc2C1 ZINC000261531253 387308137 /nfs/dbraw/zinc/30/81/37/387308137.db2.gz FWCIRSFEBCRFRM-ZETCQYMHSA-N 0 3 210.302 0.980 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1CCN(C)CC[C@H]1C ZINC000354005989 387308357 /nfs/dbraw/zinc/30/83/57/387308357.db2.gz JRHFUYZLDTXDTI-GRYCIOLGSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H](NC[C@H]1CNCCO1)c1ccco1 ZINC000423527582 387356937 /nfs/dbraw/zinc/35/69/37/387356937.db2.gz RYPICNWBTUTLOT-NXEZZACHSA-N 0 3 210.277 0.919 20 0 BCADHN O=C(CCN1CCc2ccccc2C1)NCCO ZINC000354300009 387358362 /nfs/dbraw/zinc/35/83/62/387358362.db2.gz JJEMRMGOMPSGCL-UHFFFAOYSA-N 0 3 248.326 0.543 20 0 BCADHN CC(=O)N1CC(N[C@@H]2CSC[C@H]2C)C1 ZINC000515311383 387359006 /nfs/dbraw/zinc/35/90/06/387359006.db2.gz JIJKIQGLQUNFQN-GMSGAONNSA-N 0 3 214.334 0.558 20 0 BCADHN COc1nccnc1CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000648593141 387363164 /nfs/dbraw/zinc/36/31/64/387363164.db2.gz VUWRLDYGFKYQPX-PWSUYJOCSA-N 0 3 248.330 0.621 20 0 BCADHN COC[C@H](N[C@@H]1CNCCC1(F)F)C1CC1 ZINC000423481186 387364323 /nfs/dbraw/zinc/36/43/23/387364323.db2.gz PYHBWNLKVVHDEB-VHSXEESVSA-N 0 3 234.290 0.998 20 0 BCADHN C[C@@H]1C[C@H](CN2C[C@H](CO)OC[C@H]2C)CCO1 ZINC000352611456 387364569 /nfs/dbraw/zinc/36/45/69/387364569.db2.gz HUAQWMKNSKYLAC-FDYHWXHSSA-N 0 3 243.347 0.883 20 0 BCADHN CN(C)CCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC000373406292 387365275 /nfs/dbraw/zinc/36/52/75/387365275.db2.gz IPEGNGKVUPUBFS-ONGXEEELSA-N 0 3 212.293 0.091 20 0 BCADHN CC[C@](C)(CO)C(=O)N(C)C1CCN(C)CC1 ZINC000515355006 387370038 /nfs/dbraw/zinc/37/00/38/387370038.db2.gz PDQDBAHEUNTRCH-CYBMUJFWSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@](C)(CO)C(=O)N(C)CCN(C)C ZINC000515355266 387371146 /nfs/dbraw/zinc/37/11/46/387371146.db2.gz FGXWZLFMIOTZNC-LLVKDONJSA-N 0 3 216.325 0.415 20 0 BCADHN CCC[C@@H](C(=O)NCC(F)(F)CN)N(C)C ZINC000423550324 387373728 /nfs/dbraw/zinc/37/37/28/387373728.db2.gz SUKDXJMHOODXBU-QMMMGPOBSA-N 0 3 237.294 0.427 20 0 BCADHN CN(CCNC(=O)[C@H]1CCSC1)C1CC1 ZINC000354425219 387374521 /nfs/dbraw/zinc/37/45/21/387374521.db2.gz UKORAYORZIHESF-VIFPVBQESA-N 0 3 228.361 0.950 20 0 BCADHN CN1CCC(C(=O)NCCC(C)(C)O)CC1 ZINC000360957875 387374597 /nfs/dbraw/zinc/37/45/97/387374597.db2.gz QZTZVAPGLOBSAR-UHFFFAOYSA-N 0 3 228.336 0.605 20 0 BCADHN CC[C@@H]1[C@H](C)CCN1C(=O)C(=O)N(C)CCN ZINC000423554792 387375032 /nfs/dbraw/zinc/37/50/32/387375032.db2.gz AEFNRBXLKMQAJD-NXEZZACHSA-N 0 3 241.335 0.051 20 0 BCADHN COC(=O)[C@@H](C)CC(=O)NCCN(C)C1CC1 ZINC000354425231 387375223 /nfs/dbraw/zinc/37/52/23/387375223.db2.gz ULISERDLYADUIP-VIFPVBQESA-N 0 3 242.319 0.396 20 0 BCADHN CC(C)[C@H](C(=O)N1CCC[C@H](O)C1)N(C)C ZINC000121533589 387376053 /nfs/dbraw/zinc/37/60/53/387376053.db2.gz WZFJGXVFYPPOBU-WDEREUQCSA-N 0 3 228.336 0.556 20 0 BCADHN Cc1c(CN2C[C@@H](O)C[C@@H]2C)cnn1C ZINC000336554315 387377201 /nfs/dbraw/zinc/37/72/01/387377201.db2.gz YXHZHNPCLOFYLM-KWQFWETISA-N 0 3 209.293 0.684 20 0 BCADHN CC(C)[C@H]1C(=O)NCCN1C[C@H]1CCOC1 ZINC000336554896 387377514 /nfs/dbraw/zinc/37/75/14/387377514.db2.gz VVEPHWVEKNOINR-MNOVXSKESA-N 0 3 226.320 0.479 20 0 BCADHN Cc1c(CN2C[C@@H](O)C[C@H]2C)cnn1C ZINC000336554314 387378544 /nfs/dbraw/zinc/37/85/44/387378544.db2.gz YXHZHNPCLOFYLM-KCJUWKMLSA-N 0 3 209.293 0.684 20 0 BCADHN CO[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000360981436 387380045 /nfs/dbraw/zinc/38/00/45/387380045.db2.gz LJIBHMOERIENQB-GHMZBOCLSA-N 0 3 228.336 0.820 20 0 BCADHN CO[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC000360980848 387380142 /nfs/dbraw/zinc/38/01/42/387380142.db2.gz CKCUGRPNGDHVAR-SNVBAGLBSA-N 0 3 214.309 0.574 20 0 BCADHN C[C@H](CO)N1CCCN(Cc2cc[nH]c2)CC1 ZINC000372731746 387322011 /nfs/dbraw/zinc/32/20/11/387322011.db2.gz JJICRNFKTLOTNU-GFCCVEGCSA-N 0 3 237.347 0.903 20 0 BCADHN CN(C)CCNC(=O)CCC(C)(C)O ZINC000515028194 387325512 /nfs/dbraw/zinc/32/55/12/387325512.db2.gz RQFIGVYCRPSLSA-UHFFFAOYSA-N 0 3 202.298 0.215 20 0 BCADHN CN(CC1(O)CCCC1)[C@H]1CCCNC1=O ZINC000336558582 387382619 /nfs/dbraw/zinc/38/26/19/387382619.db2.gz BBKLIAHOLWYRLG-JTQLQIEISA-N 0 3 226.320 0.502 20 0 BCADHN OC[C@@H]1CCN(CCCCF)C[C@@H]1O ZINC000515012835 387326029 /nfs/dbraw/zinc/32/60/29/387326029.db2.gz CADVZKNTOTWTQL-UWVGGRQHSA-N 0 3 205.273 0.411 20 0 BCADHN Cc1cnn(C)c1CNC[C@]1(O)CCSC1 ZINC000286480976 387326542 /nfs/dbraw/zinc/32/65/42/387326542.db2.gz LILKINOWSZHIRQ-LLVKDONJSA-N 0 3 241.360 0.686 20 0 BCADHN CC(C)[C@](C)(O)C(=O)N(C)CCN(C)C1CC1 ZINC000354083563 387328155 /nfs/dbraw/zinc/32/81/55/387328155.db2.gz SFBMKLNPHMKCBZ-ZDUSSCGKSA-N 0 3 242.363 0.946 20 0 BCADHN CCO[C@H]1C[C@H]1C(=O)N(C)CCN(C)C1CC1 ZINC000354081703 387328234 /nfs/dbraw/zinc/32/82/34/387328234.db2.gz HDHZNVHOAWSHQI-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN CCC[C@@H](O)CNCc1c(C)cnn1C ZINC000286403319 387329732 /nfs/dbraw/zinc/32/97/32/387329732.db2.gz HNDDSNUXCMKEST-SNVBAGLBSA-N 0 3 211.309 0.979 20 0 BCADHN CCC[C@@H]1C[C@@H]1C(=O)NCCN(CC)CCO ZINC000360664452 387330191 /nfs/dbraw/zinc/33/01/91/387330191.db2.gz HSVUGYKTWBNPAO-NEPJUHHUSA-N 0 3 242.363 0.853 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000515072442 387331895 /nfs/dbraw/zinc/33/18/95/387331895.db2.gz JWPGMIGJFNFFGX-UWVGGRQHSA-N 0 3 236.319 0.724 20 0 BCADHN Cc1cnn(C)c1CNC[C@@H](O)C1CC1 ZINC000286645509 387333940 /nfs/dbraw/zinc/33/39/40/387333940.db2.gz TZFPORRLNWAUQQ-LLVKDONJSA-N 0 3 209.293 0.589 20 0 BCADHN CC[C@](C)(CO)NCc1c(C)cnn1C ZINC000286645607 387335049 /nfs/dbraw/zinc/33/50/49/387335049.db2.gz UAHXLBSWLMSMQX-LLVKDONJSA-N 0 3 211.309 0.979 20 0 BCADHN Cc1cnn(C)c1CN[C@@H]1CCC(=O)N(C)C1 ZINC000286545338 387335249 /nfs/dbraw/zinc/33/52/49/387335249.db2.gz OJECWRKVEWOYJQ-SNVBAGLBSA-N 0 3 236.319 0.439 20 0 BCADHN CC[C@@H](C)C(=O)NC1(CCO)CCN(C)CC1 ZINC000354146292 387335974 /nfs/dbraw/zinc/33/59/74/387335974.db2.gz AQCKRZWKMFKKLZ-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN CNC(=O)CCN1CCC[C@@H]1c1cn[nH]c1 ZINC000639781950 387337299 /nfs/dbraw/zinc/33/72/99/387337299.db2.gz SKDOVRSGZIGWSW-SNVBAGLBSA-N 0 3 222.292 0.683 20 0 BCADHN CN(CC1(O)CCCC1)[C@@H]1CCCNC1=O ZINC000336558583 387383204 /nfs/dbraw/zinc/38/32/04/387383204.db2.gz BBKLIAHOLWYRLG-SNVBAGLBSA-N 0 3 226.320 0.502 20 0 BCADHN CCN(CC)CC(=O)NC[C@]1(C)CCOC1 ZINC000354154438 387339313 /nfs/dbraw/zinc/33/93/13/387339313.db2.gz BMJBXJRJFQRMDP-LBPRGKRZSA-N 0 3 228.336 0.871 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000372983282 387339576 /nfs/dbraw/zinc/33/95/76/387339576.db2.gz UHBGAWBLZPIBQO-ZJUUUORDSA-N 0 3 236.319 0.511 20 0 BCADHN CC1CC(NC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000515143076 387340354 /nfs/dbraw/zinc/34/03/54/387340354.db2.gz HTNXNLLQMIZUJA-VQXHTEKXSA-N 0 3 240.351 0.069 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1C[C@]12CCOc1ccccc12 ZINC000373039582 387342162 /nfs/dbraw/zinc/34/21/62/387342162.db2.gz IFLHGQLYRKPETI-LQJRIPTKSA-N 0 3 246.310 0.943 20 0 BCADHN CCO[C@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000352591315 387344434 /nfs/dbraw/zinc/34/44/34/387344434.db2.gz RNIZALHMFLODKK-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN COC(=O)CCNC(=O)CN1C[C@@H](C)C[C@@H]1C ZINC000354220217 387346477 /nfs/dbraw/zinc/34/64/77/387346477.db2.gz GJOZEMKEGZELDD-UWVGGRQHSA-N 0 3 242.319 0.396 20 0 BCADHN C/C=C\C[C@@H](CO)NC(=O)CN(C)C(C)C ZINC000354208445 387346725 /nfs/dbraw/zinc/34/67/25/387346725.db2.gz HBWYSTVYXXSTEE-GZTOBOFZSA-N 0 3 228.336 0.770 20 0 BCADHN COC[C@H](C)C(=O)N1CCN(C)CC[C@@H]1C ZINC000336520103 387347275 /nfs/dbraw/zinc/34/72/75/387347275.db2.gz PVAGQJKRAKAADO-QWRGUYRKSA-N 0 3 228.336 0.822 20 0 BCADHN COC(=O)CCNC(=O)CN1C[C@@H](C)C[C@H]1C ZINC000354220218 387347751 /nfs/dbraw/zinc/34/77/51/387347751.db2.gz GJOZEMKEGZELDD-VHSXEESVSA-N 0 3 242.319 0.396 20 0 BCADHN Cc1ccnc([C@@H](C)NC[C@@H]2CNCCN2C)c1 ZINC000423512715 387348060 /nfs/dbraw/zinc/34/80/60/387348060.db2.gz KYLRXWADRHVNGS-OLZOCXBDSA-N 0 3 248.374 0.944 20 0 BCADHN CC(C)CN1CCN(Cc2cnnn2C)CC1 ZINC000162396987 387348974 /nfs/dbraw/zinc/34/89/74/387348974.db2.gz BTJXLGKINJAVKD-UHFFFAOYSA-N 0 3 237.351 0.589 20 0 BCADHN Cc1cncc([C@@H](C)NC[C@@H]2CNCCN2C)c1 ZINC000423517096 387349820 /nfs/dbraw/zinc/34/98/20/387349820.db2.gz NYRASLOKDHJNIF-OCCSQVGLSA-N 0 3 248.374 0.944 20 0 BCADHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)nc(C)n1 ZINC000423515939 387350779 /nfs/dbraw/zinc/35/07/79/387350779.db2.gz XQRWNPWAJKIYRI-ZJUUUORDSA-N 0 3 248.330 0.916 20 0 BCADHN O=C1NCC[C@]12CCCN2CCc1ccncc1 ZINC000572374986 387352146 /nfs/dbraw/zinc/35/21/46/387352146.db2.gz GXFYKOOEGADTJR-CQSZACIVSA-N 0 3 245.326 0.979 20 0 BCADHN O=C1NC(=O)N2CCN(C3CCCC3)C[C@H]12 ZINC000336528110 387352472 /nfs/dbraw/zinc/35/24/72/387352472.db2.gz WFPJMEOKUWMECT-SECBINFHSA-N 0 3 223.276 0.165 20 0 BCADHN NC(=O)[C@@]1(NCC2CCCCC2)CCOC1 ZINC000572375805 387353924 /nfs/dbraw/zinc/35/39/24/387353924.db2.gz XPKJDBQDOULBMJ-GFCCVEGCSA-N 0 3 226.320 0.801 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccc(C)[nH]c1=O ZINC000423779200 387425001 /nfs/dbraw/zinc/42/50/01/387425001.db2.gz UXCYYFVYWAGVBJ-ZETCQYMHSA-N 0 3 209.249 0.771 20 0 BCADHN CCC[C@H](NC(=O)[C@H]1C[C@H](F)CN1)C(=O)OC ZINC000423794912 387426496 /nfs/dbraw/zinc/42/64/96/387426496.db2.gz FIUHONPRRYEZED-XHNCKOQMSA-N 0 3 246.282 0.144 20 0 BCADHN CCC[C@H](N)C(=O)N(C)[C@@H](C)C(=O)OC ZINC000423791759 387426792 /nfs/dbraw/zinc/42/67/92/387426792.db2.gz BIKXMSVDIUVDAW-YUMQZZPRSA-N 0 3 216.281 0.134 20 0 BCADHN CCC[C@@H](N)C(=O)N1CCNC(=O)[C@H]1CCC ZINC000423790303 387427492 /nfs/dbraw/zinc/42/74/92/387427492.db2.gz GHHLMFVODAXJBH-NXEZZACHSA-N 0 3 241.335 0.241 20 0 BCADHN Cn1nncc1CNC[C@@]1(C)CCCO1 ZINC000130315657 387428137 /nfs/dbraw/zinc/42/81/37/387428137.db2.gz SLIGGXPQEBMJSW-SNVBAGLBSA-N 0 3 210.281 0.474 20 0 BCADHN COC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC1CC1 ZINC000423794112 387428139 /nfs/dbraw/zinc/42/81/39/387428139.db2.gz DDWKOGGULBOWAU-YUMQZZPRSA-N 0 3 228.292 0.147 20 0 BCADHN CCC[C@H](N)C(=O)N1CCOC[C@H]1C1CC1 ZINC000423804095 387428688 /nfs/dbraw/zinc/42/86/88/387428688.db2.gz RQGDYWZTEQFSGI-QWRGUYRKSA-N 0 3 226.320 0.751 20 0 BCADHN CCC[C@H](NC(=O)[C@H](N)C1CCC1)C(=O)OC ZINC000423800634 387429597 /nfs/dbraw/zinc/42/95/97/387429597.db2.gz NANRHINWAHBZOU-VHSXEESVSA-N 0 3 242.319 0.572 20 0 BCADHN COC[C@H]1CN(C(=O)[C@H](N)C(C)C)C[C@H](C)O1 ZINC000423811957 387431831 /nfs/dbraw/zinc/43/18/31/387431831.db2.gz CGLUWBYONFIWFD-HBNTYKKESA-N 0 3 244.335 0.232 20 0 BCADHN C[C@H](CN(C)C)NC(=O)N[C@H]1CCO[C@H](C)C1 ZINC000354817149 387433522 /nfs/dbraw/zinc/43/35/22/387433522.db2.gz RFSZIHDZCCQSIX-MXWKQRLJSA-N 0 3 243.351 0.803 20 0 BCADHN CC(C)(C)[C@H](CN)NC(=O)C(=O)NCC1CC1 ZINC000423982123 387461701 /nfs/dbraw/zinc/46/17/01/387461701.db2.gz ZEEQWUSAGKCIPV-VIFPVBQESA-N 0 3 241.335 0.002 20 0 BCADHN COc1ccc(C[C@H](C)CNC(=O)CN)cc1 ZINC000423852515 387437242 /nfs/dbraw/zinc/43/72/42/387437242.db2.gz VSGLJOGFLYSXCC-JTQLQIEISA-N 0 3 236.315 0.949 20 0 BCADHN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H](C)N ZINC000423854630 387437811 /nfs/dbraw/zinc/43/78/11/387437811.db2.gz UZCJLZPHGPAPKN-RGOKHQFPSA-N 0 3 240.303 0.134 20 0 BCADHN COC[C@@H](NC(=O)CN)c1ccc(F)c(F)c1 ZINC000423854443 387438349 /nfs/dbraw/zinc/43/83/49/387438349.db2.gz XUUKTNQQWXPEBH-SNVBAGLBSA-N 0 3 244.241 0.727 20 0 BCADHN CCC[C@H](C)CC(=O)NC[C@@H]1CNCCO1 ZINC000423985525 387461745 /nfs/dbraw/zinc/46/17/45/387461745.db2.gz DPMXNCQOQAXRBH-QWRGUYRKSA-N 0 3 228.336 0.917 20 0 BCADHN CCC(CC)CC(=O)NC[C@H]1CNCCO1 ZINC000423990391 387461764 /nfs/dbraw/zinc/46/17/64/387461764.db2.gz JXJJUZCZILQRMS-LLVKDONJSA-N 0 3 228.336 0.917 20 0 BCADHN CN(CCO)C[C@H](O)C1CCCCC1 ZINC000354858538 387438694 /nfs/dbraw/zinc/43/86/94/387438694.db2.gz KPXJMMUKIGRXBH-NSHDSACASA-N 0 3 201.310 0.852 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CC)C(=O)OC)N(C)C ZINC000361327164 387439116 /nfs/dbraw/zinc/43/91/16/387439116.db2.gz TVFBKKNHGQSUNI-DTWKUNHWSA-N 0 3 230.308 0.394 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000423868200 387439687 /nfs/dbraw/zinc/43/96/87/387439687.db2.gz BFOAILUQLQYSSR-YTWAJWBKSA-N 0 3 238.331 0.798 20 0 BCADHN CN(C[C@H]1CCC[C@H]1O)C(=O)[C@@H](N)C(C)(C)C ZINC000423861294 387440270 /nfs/dbraw/zinc/44/02/70/387440270.db2.gz CCUHEYGGQORFQJ-GMTAPVOTSA-N 0 3 242.363 0.979 20 0 BCADHN C[C@H](NC1CC1)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000423862936 387440492 /nfs/dbraw/zinc/44/04/92/387440492.db2.gz HAYPBIJLZRXFKK-JBLDHEPKSA-N 0 3 240.347 0.746 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000423871093 387441754 /nfs/dbraw/zinc/44/17/54/387441754.db2.gz KEFGMDUFZDAYDN-KXUCPTDWSA-N 0 3 228.336 0.589 20 0 BCADHN CC(C)[C@@H](O)C1(CNC(=O)C2(N)CCC2)CC1 ZINC000423869234 387442111 /nfs/dbraw/zinc/44/21/11/387442111.db2.gz IGFMVUIEOIPTTQ-SNVBAGLBSA-N 0 3 240.347 0.781 20 0 BCADHN CN(C[C@H](O)C(F)(F)F)[C@@H]1CCC[C@H]1O ZINC000352702723 387442123 /nfs/dbraw/zinc/44/21/23/387442123.db2.gz YDELRCAKRINJCO-PRJMDXOYSA-N 0 3 227.226 0.755 20 0 BCADHN CC[C@]1(C(=O)[N-]c2nnc(C)n2C)CCC[NH2+]1 ZINC000423872959 387442531 /nfs/dbraw/zinc/44/25/31/387442531.db2.gz IORDLMIKAKVHQF-LLVKDONJSA-N 0 3 237.307 0.594 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NCc1ccn(C)n1 ZINC000354890682 387443092 /nfs/dbraw/zinc/44/30/92/387443092.db2.gz FVZIXVDZVFHGMB-VIFPVBQESA-N 0 3 239.323 0.169 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000423886087 387444119 /nfs/dbraw/zinc/44/41/19/387444119.db2.gz ZTTIYPNOHSFXSM-BJDJZHNGSA-N 0 3 242.363 0.979 20 0 BCADHN CN(C[C@@H]1CCCC[C@@H]1O)[C@H]1COC[C@H]1O ZINC000361347877 387445075 /nfs/dbraw/zinc/44/50/75/387445075.db2.gz FEKPTBMEMCCJMG-FIQHERPVSA-N 0 3 229.320 0.229 20 0 BCADHN CCO[C@@H]1C[C@@H](NC(=O)C2(N)CCC2)[C@H]1OC ZINC000423892419 387446244 /nfs/dbraw/zinc/44/62/44/387446244.db2.gz DZPPQZLRFHLHOM-OPRDCNLKSA-N 0 3 242.319 0.176 20 0 BCADHN CCN(C)C(=O)CCN1CCOC[C@H](C)C1 ZINC000374368040 387446224 /nfs/dbraw/zinc/44/62/24/387446224.db2.gz SWYYJTMXYKMZSX-LLVKDONJSA-N 0 3 228.336 0.823 20 0 BCADHN CCC[C@H](N)C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000423896334 387446464 /nfs/dbraw/zinc/44/64/64/387446464.db2.gz JKDKIBRNHNFQCF-LNFKQOIKSA-N 0 3 244.335 0.422 20 0 BCADHN COC[C@H](Cc1ccccc1)N(C)C(=O)CN ZINC000423896826 387446722 /nfs/dbraw/zinc/44/67/22/387446722.db2.gz DFHJOHYRKKRXFS-LBPRGKRZSA-N 0 3 236.315 0.661 20 0 BCADHN CCN(CC)C(=O)[C@@H](C)N1CC[C@@H](OC)C1 ZINC000361363375 387447129 /nfs/dbraw/zinc/44/71/29/387447129.db2.gz YJJQNKZXMVYLEY-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN CCN(C)CCNC(=O)NCCC(C)(C)O ZINC000361362432 387447490 /nfs/dbraw/zinc/44/74/90/387447490.db2.gz SSRLUWGIXPSLGP-UHFFFAOYSA-N 0 3 231.340 0.398 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)N[C@@H]1C[C@H]1C1CC1 ZINC000516025602 387447898 /nfs/dbraw/zinc/44/78/98/387447898.db2.gz KENPMBFMYAGAIF-GARJFASQSA-N 0 3 239.319 0.073 20 0 BCADHN CC(C)[C@@H](N)C(=O)Nc1nc2cccnc2n1C ZINC000423897978 387448560 /nfs/dbraw/zinc/44/85/60/387448560.db2.gz WHRYZSNIJICSSD-SECBINFHSA-N 0 3 247.302 0.890 20 0 BCADHN CC[C@H](N)C(=O)N(C)Cc1nccn1C ZINC000037823017 387449087 /nfs/dbraw/zinc/44/90/87/387449087.db2.gz JNLWSTBUZZZAAR-QMMMGPOBSA-N 0 3 210.281 0.116 20 0 BCADHN CCCN[C@H](C)C(=O)N[C@H](C)C(=O)N(C)CC ZINC000423917325 387449936 /nfs/dbraw/zinc/44/99/36/387449936.db2.gz JQWZARQHCBTMQM-NXEZZACHSA-N 0 3 243.351 0.358 20 0 BCADHN CC(C)C(=O)NCCN(C)C(=O)[C@H](N)C(C)C ZINC000423901239 387449944 /nfs/dbraw/zinc/44/99/44/387449944.db2.gz SVDJPSDYFYKBSV-SNVBAGLBSA-N 0 3 243.351 0.200 20 0 BCADHN CN(CCc1ccccc1)[C@H]1COC[C@@H]1O ZINC000304238314 387450537 /nfs/dbraw/zinc/45/05/37/387450537.db2.gz NAMGENXSYOSZDY-STQMWFEESA-N 0 3 221.300 0.921 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)[C@H](N)C(C)C ZINC000423919085 387451465 /nfs/dbraw/zinc/45/14/65/387451465.db2.gz DYJRBPQJRNVVEQ-XHNCKOQMSA-N 0 3 202.298 0.509 20 0 BCADHN CS(=O)(=O)NCCN(CCC1CC1)C1CC1 ZINC000361378310 387451816 /nfs/dbraw/zinc/45/18/16/387451816.db2.gz KSLYTQYYIZWEEG-UHFFFAOYSA-N 0 3 246.376 0.800 20 0 BCADHN CO[C@H](C)[C@H](C)NC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000423920053 387451938 /nfs/dbraw/zinc/45/19/38/387451938.db2.gz GAXAPLKKCIGOIA-MMWGEVLESA-N 0 3 228.336 0.914 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)C[C@H]1CSCCN1 ZINC000423930051 387452324 /nfs/dbraw/zinc/45/23/24/387452324.db2.gz VLSQRZBLIHJRMU-GUBZILKMSA-N 0 3 246.376 0.621 20 0 BCADHN C[C@H](N[C@H]1COC[C@@H]1O)c1ccc2n[nH]cc2c1 ZINC000361388013 387452361 /nfs/dbraw/zinc/45/23/61/387452361.db2.gz COKXSKLCIDBDBO-HJIKLVIJSA-N 0 3 247.298 0.973 20 0 BCADHN C[C@H](CN[C@@H]1CC[C@@H](F)C1)S(C)(=O)=O ZINC000516051931 387452425 /nfs/dbraw/zinc/45/24/25/387452425.db2.gz HMEDKPLMXAOZJM-IWSPIJDZSA-N 0 3 223.313 0.900 20 0 BCADHN C[C@H](N[C@@H]1COC[C@H]1O)c1ccc2n[nH]cc2c1 ZINC000361388014 387452707 /nfs/dbraw/zinc/45/27/07/387452707.db2.gz COKXSKLCIDBDBO-ZEGGKSINSA-N 0 3 247.298 0.973 20 0 BCADHN CN(CCN1CCCOCC1)C1(CO)CC1 ZINC000361383174 387453171 /nfs/dbraw/zinc/45/31/71/387453171.db2.gz ZSZBFFSRBVDKRV-UHFFFAOYSA-N 0 3 228.336 0.165 20 0 BCADHN CCN(CC)CC(=O)NCC[C@H](C)O ZINC000304278760 387457132 /nfs/dbraw/zinc/45/71/32/387457132.db2.gz YLZFNDFHGNFSQE-VIFPVBQESA-N 0 3 202.298 0.215 20 0 BCADHN COC(=O)c1cc(CNCCO)n(C)c1C ZINC000304278730 387457718 /nfs/dbraw/zinc/45/77/18/387457718.db2.gz FEYOCGDVAXDIBE-UHFFFAOYSA-N 0 3 226.276 0.202 20 0 BCADHN CO[C@@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC000336617998 387459234 /nfs/dbraw/zinc/45/92/34/387459234.db2.gz UZZRIYYHLFQNAW-NXEZZACHSA-N 0 3 212.293 0.376 20 0 BCADHN CO[C@@]1(C)CCCN(CC(=O)NC(N)=O)CC1 ZINC000373647586 387385820 /nfs/dbraw/zinc/38/58/20/387385820.db2.gz MWSWMIRCYNOBLF-NSHDSACASA-N 0 3 243.307 0.072 20 0 BCADHN C[C@H](O)CN(C)Cc1ccc2c(c1)nnn2C ZINC000361016813 387390027 /nfs/dbraw/zinc/39/00/27/387390027.db2.gz JHMZMIVWTMFJCC-VIFPVBQESA-N 0 3 234.303 0.781 20 0 BCADHN C[C@@H](O)C[C@H](C)NCc1cnc(N(C)C)nc1 ZINC000361027033 387391204 /nfs/dbraw/zinc/39/12/04/387391204.db2.gz AJNNOSYRBQIADU-VHSXEESVSA-N 0 3 238.335 0.792 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@H](O)C[C@@H]1C ZINC000336565887 387391521 /nfs/dbraw/zinc/39/15/21/387391521.db2.gz IWRNTWWLBNBWSN-VHSXEESVSA-N 0 3 214.309 0.308 20 0 BCADHN CC[C@H]1CCN(C(=O)C(=O)N(C)[C@H](C)CN)C1 ZINC000423708251 387401544 /nfs/dbraw/zinc/40/15/44/387401544.db2.gz UPBQTWFBKKWCJX-ZJUUUORDSA-N 0 3 241.335 0.051 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000423730514 387402315 /nfs/dbraw/zinc/40/23/15/387402315.db2.gz PWEXPXLPFUCTOP-LBPRGKRZSA-N 0 3 249.314 0.591 20 0 BCADHN CN(C(=O)c1ccc2n[n-]nc2c1)C1CC([NH3+])C1 ZINC000423712885 387402521 /nfs/dbraw/zinc/40/25/21/387402521.db2.gz WGKXIIPQDNYDCZ-UHFFFAOYSA-N 0 3 245.286 0.520 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)COC(F)F)C1 ZINC000352637157 387402505 /nfs/dbraw/zinc/40/25/05/387402505.db2.gz OEZWCPNNNVEOSU-QMMMGPOBSA-N 0 3 236.262 0.778 20 0 BCADHN CN(C)[C@@H]1CCCN(C(=O)COC(F)F)C1 ZINC000352637156 387403540 /nfs/dbraw/zinc/40/35/40/387403540.db2.gz OEZWCPNNNVEOSU-MRVPVSSYSA-N 0 3 236.262 0.778 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@@H](N)C1CCC1 ZINC000423737752 387404879 /nfs/dbraw/zinc/40/48/79/387404879.db2.gz FRHNFMYRPNKKNV-JTQLQIEISA-N 0 3 228.292 0.135 20 0 BCADHN CO[C@H](C)CCNC(=O)N[C@H](C)CN(C)C ZINC000352645543 387406695 /nfs/dbraw/zinc/40/66/95/387406695.db2.gz ISLXSPLHFGUKGU-NXEZZACHSA-N 0 3 231.340 0.661 20 0 BCADHN CCN(CC(=O)OC)C(=O)[C@@H]1CCCCN1 ZINC000423743891 387407586 /nfs/dbraw/zinc/40/75/86/387407586.db2.gz NDNXUVPTKVDWNS-VIFPVBQESA-N 0 3 228.292 0.150 20 0 BCADHN Cc1cnc(C(=O)NC[C@@H]2CCN(C)C2)o1 ZINC000336582810 387408335 /nfs/dbraw/zinc/40/83/35/387408335.db2.gz GXFKGPIAOQQIAM-VIFPVBQESA-N 0 3 223.276 0.665 20 0 BCADHN Cc1cnc(C(=O)NC[C@H]2CCN(C)C2)o1 ZINC000336582799 387408966 /nfs/dbraw/zinc/40/89/66/387408966.db2.gz GXFKGPIAOQQIAM-SECBINFHSA-N 0 3 223.276 0.665 20 0 BCADHN COC1(C)CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000336581278 387409016 /nfs/dbraw/zinc/40/90/16/387409016.db2.gz LSKSUOUBYNULPB-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@H](N)C(=O)Nc1cnc2n[nH]c(C)c2c1 ZINC000423748973 387409664 /nfs/dbraw/zinc/40/96/64/387409664.db2.gz RCFPCWGFWFMCNN-VIFPVBQESA-N 0 3 233.275 0.942 20 0 BCADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CC[C@@H](C)[NH3+] ZINC000423751831 387409893 /nfs/dbraw/zinc/40/98/93/387409893.db2.gz BOQZXBPLIYMMJI-RXMQYKEDSA-N 0 3 240.263 0.262 20 0 BCADHN CC(C)[C@@H](C)CC(=O)NC[C@@H]1CNCCO1 ZINC000423991657 387462596 /nfs/dbraw/zinc/46/25/96/387462596.db2.gz MPZKITSJTMDRMU-QWRGUYRKSA-N 0 3 228.336 0.773 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)NCc1ncccc1O ZINC000423752961 387411541 /nfs/dbraw/zinc/41/15/41/387411541.db2.gz CXEGRGIIQUENNZ-SNVBAGLBSA-N 0 3 237.303 0.777 20 0 BCADHN CC(C)(C)[C@H]([NH3+])C(=O)NCc1ncccc1[O-] ZINC000423752961 387411545 /nfs/dbraw/zinc/41/15/45/387411545.db2.gz CXEGRGIIQUENNZ-SNVBAGLBSA-N 0 3 237.303 0.777 20 0 BCADHN CCC[C@](C)(N)C(=O)N[C@H](C(=O)NC)C(C)C ZINC000423758681 387413244 /nfs/dbraw/zinc/41/32/44/387413244.db2.gz GJFWHVQLJQUYBG-CABZTGNLSA-N 0 3 243.351 0.391 20 0 BCADHN CO[C@H](CN)C(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000423759837 387413437 /nfs/dbraw/zinc/41/34/37/387413437.db2.gz IQHMXXWPWJJLES-FIQHERPVSA-N 0 3 240.347 0.997 20 0 BCADHN C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000423760669 387413652 /nfs/dbraw/zinc/41/36/52/387413652.db2.gz QPIQBRKZDIDMGA-ZJUUUORDSA-N 0 3 249.314 0.792 20 0 BCADHN CN(C)CCNC(=O)OCC(F)(F)F ZINC000083533639 387414638 /nfs/dbraw/zinc/41/46/38/387414638.db2.gz UQIKZUZFKBJFGU-UHFFFAOYSA-N 0 3 214.187 0.837 20 0 BCADHN CCN(C)C(=O)CN1CCCC[C@@H](CO)C1 ZINC000374051442 387415312 /nfs/dbraw/zinc/41/53/12/387415312.db2.gz PNCNCVAYOOWDEE-LLVKDONJSA-N 0 3 228.336 0.559 20 0 BCADHN CC[C@]1(O)CCN(Cc2ccnn2C)C1 ZINC000336592117 387415908 /nfs/dbraw/zinc/41/59/08/387415908.db2.gz DJBPXOFQKFJHFZ-NSHDSACASA-N 0 3 209.293 0.767 20 0 BCADHN CC[C@]1(O)CCN([C@@H](C)C(=O)N(C)C)C1 ZINC000336592154 387416382 /nfs/dbraw/zinc/41/63/82/387416382.db2.gz QFSXJQKJHKKQEV-ONGXEEELSA-N 0 3 214.309 0.310 20 0 BCADHN CO[C@H](C)CNC(=O)C(N)C(F)(F)F ZINC000423761947 387416362 /nfs/dbraw/zinc/41/63/62/387416362.db2.gz NHQRJEFSWJDCIT-UHNVWZDZSA-N 0 3 214.187 0.027 20 0 BCADHN CCC[C@H](N)C(=O)N(CCC(=O)OC)C(C)C ZINC000423764680 387416607 /nfs/dbraw/zinc/41/66/07/387416607.db2.gz XSGROZPJPSPVED-JTQLQIEISA-N 0 3 244.335 0.914 20 0 BCADHN C[C@@H](O)[C@H]1CCCCN1CC(=O)N1CCCC1 ZINC000303974784 387416720 /nfs/dbraw/zinc/41/67/20/387416720.db2.gz AZHOIKRASNZOIM-VXGBXAGGSA-N 0 3 240.347 0.844 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)[C@@H](N)CC ZINC000423762697 387417151 /nfs/dbraw/zinc/41/71/51/387417151.db2.gz OMPKWIBFHYIMOF-HLTSFMKQSA-N 0 3 230.308 0.428 20 0 BCADHN CCCCNC(=O)CN(C[C@H](C)O)C(C)C ZINC000303983747 387418015 /nfs/dbraw/zinc/41/80/15/387418015.db2.gz HGJBQNGAKIFCGX-NSHDSACASA-N 0 3 230.352 0.994 20 0 BCADHN CCCN[C@H](C)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000423771825 387419935 /nfs/dbraw/zinc/41/99/35/387419935.db2.gz JGZSABDZKIXBSX-ZJUUUORDSA-N 0 3 241.335 0.112 20 0 BCADHN CC(C)OCCNC(=O)C(N)C(F)(F)F ZINC000423770551 387420560 /nfs/dbraw/zinc/42/05/60/387420560.db2.gz GTBYKOGVZDWRCA-LURJTMIESA-N 0 3 228.214 0.417 20 0 BCADHN Cc1c[nH]c(NC(=O)[C@@H]2CN3CCN2CCC3)n1 ZINC000367194189 387494026 /nfs/dbraw/zinc/49/40/26/387494026.db2.gz ALJQEWGWZTWWFL-JTQLQIEISA-N 0 3 249.318 0.047 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCOC[C@H]1CCCO1 ZINC000516284893 387495586 /nfs/dbraw/zinc/49/55/86/387495586.db2.gz IZWRYPDUGYHQKA-IJLUTSLNSA-N 0 3 245.319 0.185 20 0 BCADHN COC[C@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000352805331 387495968 /nfs/dbraw/zinc/49/59/68/387495968.db2.gz KWYCSBBROARLGN-QJPTWQEYSA-N 0 3 240.347 0.822 20 0 BCADHN CCn1ccc(C(=O)NCCN(C)C)n1 ZINC000516295444 387496900 /nfs/dbraw/zinc/49/69/00/387496900.db2.gz QVFVYNVCEXRSLE-UHFFFAOYSA-N 0 3 210.281 0.194 20 0 BCADHN CCCNC(=O)CN[C@@H]1COC(C)(C)C1 ZINC000396834071 387497799 /nfs/dbraw/zinc/49/77/99/387497799.db2.gz VUENHWHBHFPRNW-VIFPVBQESA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@](C)(NCCC(=O)OC(C)(C)C)C(N)=O ZINC000304656219 387499274 /nfs/dbraw/zinc/49/92/74/387499274.db2.gz ZCGKMNWXAYVLGJ-LBPRGKRZSA-N 0 3 244.335 0.962 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cnc(C)s1 ZINC000040998485 387499469 /nfs/dbraw/zinc/49/94/69/387499469.db2.gz HLURIOHTXLGECO-MRVPVSSYSA-N 0 3 213.306 0.805 20 0 BCADHN C[C@@H]1OCC[C@H]1N(CCO)CCOCC1CC1 ZINC000361576026 387499567 /nfs/dbraw/zinc/49/95/67/387499567.db2.gz FAJFRNUTHFCDFL-WCQYABFASA-N 0 3 243.347 0.885 20 0 BCADHN CN(C)c1ccc(NC(=O)C(C)(C)N)cn1 ZINC000040921700 387500694 /nfs/dbraw/zinc/50/06/94/387500694.db2.gz WYWUUEMJIIGQCD-UHFFFAOYSA-N 0 3 222.292 0.823 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NCc1cccc2c1OCO2 ZINC000424096544 387503374 /nfs/dbraw/zinc/50/33/74/387503374.db2.gz ZUSPKSNQHOEPOK-DTWKUNHWSA-N 0 3 234.255 0.379 20 0 BCADHN CCN(CCN1CCOC[C@@H]1C)[C@@H]1CCOC1 ZINC000361593966 387506915 /nfs/dbraw/zinc/50/69/15/387506915.db2.gz IEHSGUHUQLKDPL-QWHCGFSZSA-N 0 3 242.363 0.818 20 0 BCADHN CN1CCO[C@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000396868765 387507585 /nfs/dbraw/zinc/50/75/85/387507585.db2.gz DKBCAZQAPBANNQ-GHMZBOCLSA-N 0 3 228.336 0.474 20 0 BCADHN C[C@H](O)CCCN1CCN2CCOC[C@@H]2C1 ZINC000355269656 387508958 /nfs/dbraw/zinc/50/89/58/387508958.db2.gz CPEBFPYYHMQBJG-RYUDHWBXSA-N 0 3 228.336 0.164 20 0 BCADHN C[C@@H](O)CCCN1CCCC[C@@]1(C)C(N)=O ZINC000355274965 387510563 /nfs/dbraw/zinc/51/05/63/387510563.db2.gz KJCYXMYYQRNWLJ-PWSUYJOCSA-N 0 3 228.336 0.877 20 0 BCADHN O=C(NCC1(CO)CC1)[C@@H]1CNCCC1(F)F ZINC000648080071 387511117 /nfs/dbraw/zinc/51/11/17/387511117.db2.gz VBGFSDPICPYNAR-QMMMGPOBSA-N 0 3 248.273 0.120 20 0 BCADHN Cc1c[nH]cc(C(=O)N(C)[C@H](C)CN)c1=O ZINC000516465111 387511410 /nfs/dbraw/zinc/51/14/10/387511410.db2.gz ORIMEGWPCUJCCD-MRVPVSSYSA-N 0 3 223.276 0.103 20 0 BCADHN CCN(CC)CC(=O)N1C[C@@H](C)C[C@H](CO)C1 ZINC000421965354 387511492 /nfs/dbraw/zinc/51/14/92/387511492.db2.gz IZLZUXWPBRNKFB-RYUDHWBXSA-N 0 3 242.363 0.805 20 0 BCADHN CC(C)[C@H]1CCCCN1C(=O)C(=O)NCCN ZINC000395946630 387512651 /nfs/dbraw/zinc/51/26/51/387512651.db2.gz XALWJDPQRHTOJA-SNVBAGLBSA-N 0 3 241.335 0.098 20 0 BCADHN CCNC(=O)CC(=O)N(C)C[C@@H]1CCCN1C ZINC000422030476 387543609 /nfs/dbraw/zinc/54/36/09/387543609.db2.gz ATDLXZBBDIMDMT-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN C[C@H](O)CCCN1CC[C@H](C)C[C@@H]1C(N)=O ZINC000355300338 387515940 /nfs/dbraw/zinc/51/59/40/387515940.db2.gz ZQZFHYOZFRVTJA-GARJFASQSA-N 0 3 228.336 0.733 20 0 BCADHN CCN(C)C(=O)CN1CC[C@@H]2CCN(C)C[C@H]21 ZINC000375226396 387517100 /nfs/dbraw/zinc/51/71/00/387517100.db2.gz BEVUPDTZIVBVEP-NWDGAFQWSA-N 0 3 239.363 0.491 20 0 BCADHN C[S@@](=O)CCCNCc1cc[nH]c1 ZINC000086254486 387517823 /nfs/dbraw/zinc/51/78/23/387517823.db2.gz XOQPJICONMWFJT-ZDUSSCGKSA-N 0 3 200.307 0.873 20 0 BCADHN CO[C@@H](C(=O)NCCN1CC[C@H](C)C1)C1CC1 ZINC000527176579 387521629 /nfs/dbraw/zinc/52/16/29/387521629.db2.gz CWPGQQDLLGLZBW-CMPLNLGQSA-N 0 3 240.347 0.869 20 0 BCADHN CO[C@@H](C(=O)NCCN1CC[C@@H](C)C1)C1CC1 ZINC000527176582 387522020 /nfs/dbraw/zinc/52/20/20/387522020.db2.gz CWPGQQDLLGLZBW-ZYHUDNBSSA-N 0 3 240.347 0.869 20 0 BCADHN CC(C)n1cncc1CN1CC[C@@H](C(N)=O)C1 ZINC000425325914 387525037 /nfs/dbraw/zinc/52/50/37/387525037.db2.gz OWTYVOABCVFJOA-SNVBAGLBSA-N 0 3 236.319 0.771 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H](O)CC[C@H]1C ZINC000422001518 387524978 /nfs/dbraw/zinc/52/49/78/387524978.db2.gz GGZLXMGJDWRAIB-MNOVXSKESA-N 0 3 228.336 0.698 20 0 BCADHN COC(=O)c1cc(CN(C)C2CC(O)C2)c[nH]1 ZINC000355374251 387527242 /nfs/dbraw/zinc/52/72/42/387527242.db2.gz YCHMHRQTEBXBLA-UHFFFAOYSA-N 0 3 238.287 0.756 20 0 BCADHN CNC(=O)c1cccc(CNC(=O)[C@@H]2C[C@@H]2N)c1 ZINC000424102627 387527240 /nfs/dbraw/zinc/52/72/40/387527240.db2.gz QZRJWEIYEHQRDN-MNOVXSKESA-N 0 3 247.298 0.010 20 0 BCADHN CN(CCNC(=O)Cc1cc[nH]n1)C1CC1 ZINC000355378798 387530381 /nfs/dbraw/zinc/53/03/81/387530381.db2.gz ZNHWHKIUJYNROE-UHFFFAOYSA-N 0 3 222.292 0.163 20 0 BCADHN c1ncn(CCN2CCC[C@@H]2[C@H]2CCCO2)n1 ZINC000375347359 387531579 /nfs/dbraw/zinc/53/15/79/387531579.db2.gz CQQQFCMSLMRNJF-VXGBXAGGSA-N 0 3 236.319 0.922 20 0 BCADHN CNC(=O)CC1CCN(C[C@@H](C)O)CC1 ZINC000192736025 387532115 /nfs/dbraw/zinc/53/21/15/387532115.db2.gz PJELFPXGSGIPON-SECBINFHSA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H]1COCCN1CCN1CC[C@@](C)(O)C1 ZINC000192737740 387532320 /nfs/dbraw/zinc/53/23/20/387532320.db2.gz ZQAJBRWTRCEEPI-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN CCC[C@H]1CN(C[C@@H](C)O)CCN1CCOC ZINC000192773683 387532679 /nfs/dbraw/zinc/53/26/79/387532679.db2.gz AQGZLOXRUXXAAX-OLZOCXBDSA-N 0 3 244.379 0.800 20 0 BCADHN CN(C)CCN(C)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425867792 387532826 /nfs/dbraw/zinc/53/28/26/387532826.db2.gz JGPSAMRXNYTQKL-JGPRNRPPSA-N 0 3 225.336 0.988 20 0 BCADHN CC1(C)CN(CCN2CCNC2=O)CC[C@@H]1O ZINC000310158235 387533803 /nfs/dbraw/zinc/53/38/03/387533803.db2.gz KGHMBCDLHWNRJB-JTQLQIEISA-N 0 3 241.335 0.104 20 0 BCADHN CC(C)C1CC(NCC(=O)N2CCOCC2)C1 ZINC000310076271 387534108 /nfs/dbraw/zinc/53/41/08/387534108.db2.gz OYUVGKJNRMLYKL-UHFFFAOYSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000527207932 387534649 /nfs/dbraw/zinc/53/46/49/387534649.db2.gz AKAKCDILRJUYCR-UTUOFQBUSA-N 0 3 237.347 0.386 20 0 BCADHN CC(C)[C@](C)(O)CN1CCN2C(=O)OC[C@@H]2C1 ZINC000375390984 387537681 /nfs/dbraw/zinc/53/76/81/387537681.db2.gz MHAJYYFKKLPQEZ-CMPLNLGQSA-N 0 3 242.319 0.530 20 0 BCADHN C[C@@H](NC[C@H](O)Cn1cccn1)c1cnn(C)c1 ZINC000310740231 387539351 /nfs/dbraw/zinc/53/93/51/387539351.db2.gz GUGYUJKHPAIVTQ-PWSUYJOCSA-N 0 3 249.318 0.328 20 0 BCADHN C[C@H](CN1CCOCC1)N1CC[C@@H](O)[C@H](C)C1 ZINC000426112120 387539470 /nfs/dbraw/zinc/53/94/70/387539470.db2.gz KBMZNHJXEJTMNR-JHJVBQTASA-N 0 3 242.363 0.410 20 0 BCADHN CC[C@H](C)[C@@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000423985159 387462663 /nfs/dbraw/zinc/46/26/63/387462663.db2.gz DAVJBSOPELNHOI-AXFHLTTASA-N 0 3 228.336 0.773 20 0 BCADHN CCCCO[C@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000423997192 387464431 /nfs/dbraw/zinc/46/44/31/387464431.db2.gz XUUPCQOGHIMWDY-MNOVXSKESA-N 0 3 244.335 0.296 20 0 BCADHN CCc1ccc(CNC[C@@]2(O)CCOC2)cn1 ZINC000352760750 387466753 /nfs/dbraw/zinc/46/67/53/387466753.db2.gz RTUMXDNZYPWVRF-ZDUSSCGKSA-N 0 3 236.315 0.885 20 0 BCADHN C[C@H](CO)N(CC(=O)N1CCC1)CC1CCC1 ZINC000361484849 387468449 /nfs/dbraw/zinc/46/84/49/387468449.db2.gz LFLRVVDQCZJOMB-LLVKDONJSA-N 0 3 240.347 0.702 20 0 BCADHN O=C(CCOC1CNC1)N[C@H]1CCC[C@@H](F)C1 ZINC000516183134 387469350 /nfs/dbraw/zinc/46/93/50/387469350.db2.gz IFNNFWAWLQZXMS-ZJUUUORDSA-N 0 3 244.310 0.762 20 0 BCADHN CCN(CC1CCC1)[C@@H](C)C(=O)NC(N)=O ZINC000361484590 387469938 /nfs/dbraw/zinc/46/99/38/387469938.db2.gz JWNQNBITGNPIDQ-QMMMGPOBSA-N 0 3 227.308 0.692 20 0 BCADHN C[C@@H]1C[C@H](CN2CCN(CCO)CC2)CCO1 ZINC000352743313 387470403 /nfs/dbraw/zinc/47/04/03/387470403.db2.gz HQTJYJHFANAWSK-CHWSQXEVSA-N 0 3 242.363 0.411 20 0 BCADHN CC[C@H](C)CNC(=O)CNC[C@@H]1CCCO1 ZINC000424056385 387471827 /nfs/dbraw/zinc/47/18/27/387471827.db2.gz KJGCGHXSUMRYBC-QWRGUYRKSA-N 0 3 228.336 0.917 20 0 BCADHN CC[C@@H](C)CNC(=O)CNC[C@@H]1CCCO1 ZINC000424056384 387472420 /nfs/dbraw/zinc/47/24/20/387472420.db2.gz KJGCGHXSUMRYBC-MNOVXSKESA-N 0 3 228.336 0.917 20 0 BCADHN C[C@@H]1C[C@H](C(=O)NC[C@H]2CCCN(C)C2)CO1 ZINC000526137651 387473177 /nfs/dbraw/zinc/47/31/77/387473177.db2.gz OMLWTFIGMKOMQY-UTUOFQBUSA-N 0 3 240.347 0.869 20 0 BCADHN C[C@]1(NCC(=O)NC2CC2)CCO[C@H]1C1CC1 ZINC000374625478 387473868 /nfs/dbraw/zinc/47/38/68/387473868.db2.gz BIBOBFZMRIYDAA-STQMWFEESA-N 0 3 238.331 0.812 20 0 BCADHN 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CCN(CCNC(=O)CCCC(N)=O)C1CC1 ZINC000361918467 387552380 /nfs/dbraw/zinc/55/23/80/387552380.db2.gz HPXDJRMHSISKLX-UHFFFAOYSA-N 0 3 241.335 0.243 20 0 BCADHN C[C@@H]1CCN(CCC(=O)N(C)C)[C@H](C(N)=O)C1 ZINC000426262131 387552762 /nfs/dbraw/zinc/55/27/62/387552762.db2.gz VKHBFPMQNZKNMY-ZJUUUORDSA-N 0 3 241.335 0.051 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@H](CC)N(C)C ZINC000305105836 387553904 /nfs/dbraw/zinc/55/39/04/387553904.db2.gz CYXLFYGQJBJWPL-UWVGGRQHSA-N 0 3 216.325 0.604 20 0 BCADHN CO[C@@H](C)CN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375568004 387554290 /nfs/dbraw/zinc/55/42/90/387554290.db2.gz SWFJSJNFJWEAER-GXSJLCMTSA-N 0 3 228.292 0.596 20 0 BCADHN Nc1ccccc1NC(=O)[C@@]1(F)CCNC1 ZINC000119444568 387555110 /nfs/dbraw/zinc/55/51/10/387555110.db2.gz LIDJLGCKPVAOQK-LLVKDONJSA-N 0 3 223.251 0.909 20 0 BCADHN CNC(=O)[C@H](C)N[C@@H](C)CC(=O)OC(C)(C)C ZINC000426317267 387555780 /nfs/dbraw/zinc/55/57/80/387555780.db2.gz MCQXGHCEMFMWGE-IUCAKERBSA-N 0 3 244.335 0.831 20 0 BCADHN 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IDVHYOCDSBEDBN-WDEREUQCSA-N 0 3 243.351 0.493 20 0 BCADHN CCO[C@@H]1CCC[C@H]1NCC(=O)NC1CC1 ZINC000452022703 387701110 /nfs/dbraw/zinc/70/11/10/387701110.db2.gz PVKWXHKDGJWUDH-GHMZBOCLSA-N 0 3 226.320 0.812 20 0 BCADHN COc1ccc(CN[C@@H]2COCC[C@H]2O)cc1 ZINC000631258739 387701914 /nfs/dbraw/zinc/70/19/14/387701914.db2.gz XPTBHHDGAJHJHV-CHWSQXEVSA-N 0 3 237.299 0.935 20 0 BCADHN O=C1NCCN1CCN1CCC2(CC2)CC1 ZINC000377278015 387708719 /nfs/dbraw/zinc/70/87/19/387708719.db2.gz VIVUSESACAWVPC-UHFFFAOYSA-N 0 3 223.320 0.888 20 0 BCADHN CCN(CC[C@@H]1CCCO1)[C@@H]1CCNC1=O ZINC000440958374 387712363 /nfs/dbraw/zinc/71/23/63/387712363.db2.gz KBRGWUSRTKUEFW-WDEREUQCSA-N 0 3 226.320 0.766 20 0 BCADHN O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1c[nH]cn1 ZINC000440938631 387712432 /nfs/dbraw/zinc/71/24/32/387712432.db2.gz ALFFWGFXTGVEJT-HKWYAPCNSA-N 0 3 219.288 0.611 20 0 BCADHN O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1cnc[nH]1 ZINC000440938631 387712436 /nfs/dbraw/zinc/71/24/36/387712436.db2.gz ALFFWGFXTGVEJT-HKWYAPCNSA-N 0 3 219.288 0.611 20 0 BCADHN COc1nccc(CNCC23CC(C2)CO3)n1 ZINC000527789319 387714428 /nfs/dbraw/zinc/71/44/28/387714428.db2.gz IFUKVQNIDZXHME-UHFFFAOYSA-N 0 3 235.287 0.754 20 0 BCADHN CSC[C@H](O)CN1CC2(C1)CCCOC2 ZINC000367491399 387714845 /nfs/dbraw/zinc/71/48/45/387714845.db2.gz TXSHPXMDTBTAEC-SNVBAGLBSA-N 0 3 231.361 0.823 20 0 BCADHN COC[C@@H](O)CCNCc1ccc(C)cn1 ZINC000127499817 387714903 /nfs/dbraw/zinc/71/49/03/387714903.db2.gz CVFVDMAVBHTIIK-LBPRGKRZSA-N 0 3 224.304 0.877 20 0 BCADHN CCN(CCC[C@H](C)O)[C@H]1CCNC1=O ZINC000440953619 387717151 /nfs/dbraw/zinc/71/71/51/387717151.db2.gz HJTZPNJVAMZZKD-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN CCN(CCCCCO)[C@H]1CCNC1=O ZINC000440959409 387717524 /nfs/dbraw/zinc/71/75/24/387717524.db2.gz GNAVNWJZVXRSNG-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN CCO[C@@H]1C[C@@H]1C(=O)N1CCCN(CC)CC1 ZINC000377474847 387718052 /nfs/dbraw/zinc/71/80/52/387718052.db2.gz CJEXZZFRDOHUKH-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN C[C@H]1COCCN1CCN(C)CCCO ZINC000440960580 387719092 /nfs/dbraw/zinc/71/90/92/387719092.db2.gz RIYPJUIHOOBTMW-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN CC(C)OC(=O)CCN(C)CCCO ZINC000440968353 387719251 /nfs/dbraw/zinc/71/92/51/387719251.db2.gz MWKYNHNRDLPPHU-UHFFFAOYSA-N 0 3 203.282 0.642 20 0 BCADHN O=C(CC1CC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377476290 387719386 /nfs/dbraw/zinc/71/93/86/387719386.db2.gz OJYDBIKPMFIMLP-NWDGAFQWSA-N 0 3 238.331 0.766 20 0 BCADHN CN(C)[C@H](CC(=O)NCCO)c1ccccc1 ZINC000431623582 387720997 /nfs/dbraw/zinc/72/09/97/387720997.db2.gz SRUHPNSABPSDFL-GFCCVEGCSA-N 0 3 236.315 0.788 20 0 BCADHN COC(=O)CN1CCCN(CC[C@H](C)F)CC1 ZINC000367552092 387724255 /nfs/dbraw/zinc/72/42/55/387724255.db2.gz DGPWFHHLFAPGJE-NSHDSACASA-N 0 3 246.326 0.915 20 0 BCADHN CC(C)C(C)(C)S(=O)(=O)C(C)C(N)=O ZINC000431652585 387724516 /nfs/dbraw/zinc/72/45/16/387724516.db2.gz DBGHHGFZZIPHQD-SSDOTTSWSA-N 0 3 221.322 0.710 20 0 BCADHN CCCCN1CCC(O)(C(=O)OC)CC1 ZINC000367541302 387725381 /nfs/dbraw/zinc/72/53/81/387725381.db2.gz FVJXTXVFHDNRRS-UHFFFAOYSA-N 0 3 215.293 0.786 20 0 BCADHN Cn1cncc1C(=O)NCCN1CCCCC1 ZINC000431720617 387726964 /nfs/dbraw/zinc/72/69/64/387726964.db2.gz AYIJKDFKJPQHFH-UHFFFAOYSA-N 0 3 236.319 0.636 20 0 BCADHN C[C@@H](F)CCN1CCNC(=O)C[C@H]1C ZINC000367554516 387726954 /nfs/dbraw/zinc/72/69/54/387726954.db2.gz UYGQRAGREAUMMC-RKDXNWHRSA-N 0 3 202.273 0.945 20 0 BCADHN O=C(C1C[NH2+]C1)N1CCCC[C@@H]1c1nc[n-]n1 ZINC000367812743 387755707 /nfs/dbraw/zinc/75/57/07/387755707.db2.gz AYZYDIZVRQWZFM-SECBINFHSA-N 0 3 235.291 0.078 20 0 BCADHN CCOCCNC(=O)C12CCCN1CCC2 ZINC000377569282 387729569 /nfs/dbraw/zinc/72/95/69/387729569.db2.gz VMHROXSKLHWEGU-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN C[C@@H]1[C@@H](C)N(C(=O)[C@H]2CCCN2C)CCN1C ZINC000356845842 387729732 /nfs/dbraw/zinc/72/97/32/387729732.db2.gz JAQPXBKHQBURAP-IJLUTSLNSA-N 0 3 239.363 0.632 20 0 BCADHN Cn1nncc1CNC[C@H]1CCN1C1CCCC1 ZINC000527807188 387731135 /nfs/dbraw/zinc/73/11/35/387731135.db2.gz NEHJYYYTPNKGAC-GFCCVEGCSA-N 0 3 249.362 0.922 20 0 BCADHN NC(=O)C[C@@H]1COCCN1CCC1CC1 ZINC000452091844 387732364 /nfs/dbraw/zinc/73/23/64/387732364.db2.gz WKALTUGOXKKFOE-SNVBAGLBSA-N 0 3 212.293 0.363 20 0 BCADHN C[C@H](CO)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000377669516 387732674 /nfs/dbraw/zinc/73/26/74/387732674.db2.gz MMJZHWSWNYRKHH-BXKDBHETSA-N 0 3 246.326 0.696 20 0 BCADHN CC(C)COCCN1CCN(CCO)C[C@H]1C ZINC000452116236 387733523 /nfs/dbraw/zinc/73/35/23/387733523.db2.gz CAVMMEKZXGNNKZ-CYBMUJFWSA-N 0 3 244.379 0.657 20 0 BCADHN CN(C)c1ccncc1CNCC1COC1 ZINC000527816626 387735167 /nfs/dbraw/zinc/73/51/67/387735167.db2.gz GLHBFEUNZQSWAL-UHFFFAOYSA-N 0 3 221.304 0.884 20 0 BCADHN CN(C)CCN(C(=O)c1ccnn1C)C1CC1 ZINC000356869390 387735608 /nfs/dbraw/zinc/73/56/08/387735608.db2.gz FGJCPIFGNKDQBI-UHFFFAOYSA-N 0 3 236.319 0.586 20 0 BCADHN CC(C)OC(=O)CCN1CCN(C)C[C@@H]1C ZINC000441401600 387756010 /nfs/dbraw/zinc/75/60/10/387756010.db2.gz IBBGBPWBTWYJSA-NSHDSACASA-N 0 3 228.336 0.964 20 0 BCADHN O=C1NC[C@H]2CN(Cc3ccccn3)CC[C@H]12 ZINC000377671045 387736236 /nfs/dbraw/zinc/73/62/36/387736236.db2.gz HTUCJAOJJVBPRK-JQWIXIFHSA-N 0 3 231.299 0.650 20 0 BCADHN C[C@@H]1C[C@@H](O)CN(C[C@@H](O)COC(C)(C)C)C1 ZINC000452098435 387736568 /nfs/dbraw/zinc/73/65/68/387736568.db2.gz OPKCAAWDGIFJBR-IJLUTSLNSA-N 0 3 245.363 0.865 20 0 BCADHN O=C1NC[C@@H]2CN(Cc3ccccn3)CC[C@H]12 ZINC000377671047 387737468 /nfs/dbraw/zinc/73/74/68/387737468.db2.gz HTUCJAOJJVBPRK-PWSUYJOCSA-N 0 3 231.299 0.650 20 0 BCADHN CN(C)CCN(C(=O)[C@H]1CCCOC1)C1CC1 ZINC000356879101 387737664 /nfs/dbraw/zinc/73/76/64/387737664.db2.gz HTXGGZOIDYNAAM-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN O=C1NC[C@H]2CN(CCOC3CCC3)CC[C@@H]12 ZINC000377681133 387738739 /nfs/dbraw/zinc/73/87/39/387738739.db2.gz QQQNCUYODMKBTO-CMPLNLGQSA-N 0 3 238.331 0.623 20 0 BCADHN CC(C)[C@@](C)(O)CN1C[C@H]2OCCN(C)[C@H]2C1 ZINC000377675491 387740850 /nfs/dbraw/zinc/74/08/50/387740850.db2.gz GXAHFCYXTLSNNH-XQQFMLRXSA-N 0 3 242.363 0.408 20 0 BCADHN C[C@H]1CN(CCO)CCN1CCC1CC1 ZINC000452111163 387742160 /nfs/dbraw/zinc/74/21/60/387742160.db2.gz BPVIKWMCIVTNGT-NSHDSACASA-N 0 3 212.337 0.785 20 0 BCADHN Cn1ncc(Cl)c1CNCC1COC1 ZINC000527819975 387742473 /nfs/dbraw/zinc/74/24/73/387742473.db2.gz PGTQFSDXWUCDDN-UHFFFAOYSA-N 0 3 215.684 0.810 20 0 BCADHN OCC1CCN(CCOCC(F)F)CC1 ZINC000188734552 387761974 /nfs/dbraw/zinc/76/19/74/387761974.db2.gz PSAQYBMLUNIIIA-UHFFFAOYSA-N 0 3 223.263 0.972 20 0 BCADHN COCCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452169519 387762552 /nfs/dbraw/zinc/76/25/52/387762552.db2.gz GCOBKCWCSCZNDE-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@H]1NCC[C@H](C)OC ZINC000422896469 387766672 /nfs/dbraw/zinc/76/66/72/387766672.db2.gz AEUDOGKPIWNOOI-HBNTYKKESA-N 0 3 244.335 0.295 20 0 BCADHN CC(C)[C@@H](O)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000163577967 387772327 /nfs/dbraw/zinc/77/23/27/387772327.db2.gz BRCDXDDXDSHIGL-VHSXEESVSA-N 0 3 230.352 0.883 20 0 BCADHN O=C1NC[C@H](CN2CC[C@@H]3OCCC[C@@H]3C2)O1 ZINC000378278885 387773397 /nfs/dbraw/zinc/77/33/97/387773397.db2.gz DAAKXYJUKOTTIP-MXWKQRLJSA-N 0 3 240.303 0.596 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H]1CCSC1 ZINC000422916911 387773764 /nfs/dbraw/zinc/77/37/64/387773764.db2.gz BXMWKKQBXDSEPZ-LPEHRKFASA-N 0 3 244.360 0.375 20 0 BCADHN C[C@H](C(N)=O)N1CCC[C@](C)(O)CC1 ZINC000300238986 387774723 /nfs/dbraw/zinc/77/47/23/387774723.db2.gz WQIYHCCBTIPEGE-SCZZXKLOSA-N 0 3 200.282 0.097 20 0 BCADHN C[C@H](CNC(=O)c1cccnn1)N(C)C ZINC000527899313 387780472 /nfs/dbraw/zinc/78/04/72/387780472.db2.gz ZSDNIRSVGNVTFH-MRVPVSSYSA-N 0 3 208.265 0.157 20 0 BCADHN COc1cccnc1N1CC(N(C)C)C1 ZINC000527943726 387782113 /nfs/dbraw/zinc/78/21/13/387782113.db2.gz LCOSJIFOHPECNX-UHFFFAOYSA-N 0 3 207.277 0.840 20 0 BCADHN Cc1n[nH]cc1[C@H](C)NC[C@H](O)[C@H]1CCCO1 ZINC000527958195 387784654 /nfs/dbraw/zinc/78/46/54/387784654.db2.gz VDSRLOVXJJBOLE-KPXOXKRLSA-N 0 3 239.319 0.909 20 0 BCADHN CC1(C(=O)NC[C@H]2CCCN2CCCO)CC1 ZINC000452377157 387812591 /nfs/dbraw/zinc/81/25/91/387812591.db2.gz ZPILPXXMEZIILY-LLVKDONJSA-N 0 3 240.347 0.750 20 0 BCADHN CCn1nncc1CN[C@@H]1CCOC[C@H]1C ZINC000527914145 387785687 /nfs/dbraw/zinc/78/56/87/387785687.db2.gz JCTLPPTUGJKZLU-MWLCHTKSSA-N 0 3 224.308 0.813 20 0 BCADHN CCn1nncc1CN[C@H]1CCOC1(C)C ZINC000527914904 387786223 /nfs/dbraw/zinc/78/62/23/387786223.db2.gz KZABZGWLRVWRNT-JTQLQIEISA-N 0 3 224.308 0.955 20 0 BCADHN C[C@H](CC(N)=O)NCc1ccc2cn(C)nc2c1 ZINC000527958686 387786465 /nfs/dbraw/zinc/78/64/65/387786465.db2.gz IBXQLIDLOZDDCF-SECBINFHSA-N 0 3 246.314 0.927 20 0 BCADHN COC(=O)[C@H](C)CN1CCCN(C(C)=O)CC1 ZINC000049932691 387789834 /nfs/dbraw/zinc/78/98/34/387789834.db2.gz NEJYJNWAPSOPOX-SNVBAGLBSA-N 0 3 242.319 0.350 20 0 BCADHN COCC[C@H](C)NC(=O)[C@H](N)CCSC ZINC000157371132 387789953 /nfs/dbraw/zinc/78/99/53/387789953.db2.gz DHUXJGOJUYUDJX-DTWKUNHWSA-N 0 3 234.365 0.608 20 0 BCADHN CCO[C@@H](C)C(=O)N1CCCN(CC)CC1 ZINC000359978180 387791332 /nfs/dbraw/zinc/79/13/32/387791332.db2.gz NPBBYKQGMBROKM-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN O=C(CNC(=O)[C@@H]1CN2CCC1CC2)C1CC1 ZINC000378627535 387791317 /nfs/dbraw/zinc/79/13/17/387791317.db2.gz BRGBSQBAEDFEBP-LLVKDONJSA-N 0 3 236.315 0.424 20 0 BCADHN CSCC[C@@H](N)C(=O)NC[C@H](O)C(C)(C)C ZINC000157435060 387795219 /nfs/dbraw/zinc/79/52/19/387795219.db2.gz YOLPDDIIPRAJPS-BDAKNGLRSA-N 0 3 248.392 0.590 20 0 BCADHN CC[C@H](O)CCNC(=O)[C@@H](N)C(C)C ZINC000157446910 387795349 /nfs/dbraw/zinc/79/53/49/387795349.db2.gz VSVYCCOPHUAIJC-IUCAKERBSA-N 0 3 202.298 0.247 20 0 BCADHN CCOC(=O)CCN[C@H]1C(=O)NCC[C@@H]1C ZINC000193604163 387798226 /nfs/dbraw/zinc/79/82/26/387798226.db2.gz LKPAYLDXXKZZRJ-WCBMZHEXSA-N 0 3 228.292 0.054 20 0 BCADHN NC(=O)N[C@H]1CCN(CCC[C@H]2CCOC2)C1 ZINC000645842724 387798768 /nfs/dbraw/zinc/79/87/68/387798768.db2.gz MAJYFSGOBGUVTO-QWRGUYRKSA-N 0 3 241.335 0.546 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCCOCC(F)F ZINC000193652172 387800426 /nfs/dbraw/zinc/80/04/26/387800426.db2.gz ZDDXNQHIFSENFH-IONNQARKSA-N 0 3 236.262 0.382 20 0 BCADHN CCN(C)CCNCc1c(C)nn(C)c1OC ZINC000134150556 387805152 /nfs/dbraw/zinc/80/51/52/387805152.db2.gz OFPBYUOEEYAXNE-UHFFFAOYSA-N 0 3 240.351 0.778 20 0 BCADHN CSC1(CN[C@H](C)CS(C)(=O)=O)CC1 ZINC000193830514 387807184 /nfs/dbraw/zinc/80/71/84/387807184.db2.gz RVGJHGDTVPZWLS-MRVPVSSYSA-N 0 3 237.390 0.905 20 0 BCADHN CCCC(=O)NC[C@@H]1CCCN1CCCO ZINC000452355439 387808314 /nfs/dbraw/zinc/80/83/14/387808314.db2.gz XQWAAOFXLNSYTA-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN CC(C)n1ccc(CNC(=O)[C@H](C)N)n1 ZINC000309494397 387808773 /nfs/dbraw/zinc/80/87/73/387808773.db2.gz SWDVUXHHCSAUTA-QMMMGPOBSA-N 0 3 210.281 0.427 20 0 BCADHN CCCN(C)CC(=O)NCC[C@](C)(O)COC ZINC000452364854 387809398 /nfs/dbraw/zinc/80/93/98/387809398.db2.gz TZFIZZIANAZEGI-LBPRGKRZSA-N 0 3 246.351 0.232 20 0 BCADHN CC(C)CCOCCN(C)CC(C)(CO)CO ZINC000157516452 387810462 /nfs/dbraw/zinc/81/04/62/387810462.db2.gz JKISIHXCIAHMAM-UHFFFAOYSA-N 0 3 247.379 0.972 20 0 BCADHN COCC[C@@H](CO)NCc1cnc(C)n1C ZINC000521462416 387756769 /nfs/dbraw/zinc/75/67/69/387756769.db2.gz HXCRMHUNZHMZRU-JTQLQIEISA-N 0 3 227.308 0.216 20 0 BCADHN CC(C)[C@@H](O)CN1CCN(C[C@@H](C)O)CC1 ZINC000432795576 387822153 /nfs/dbraw/zinc/82/21/53/387822153.db2.gz XAPPAIIJGJFNNP-NEPJUHHUSA-N 0 3 230.352 0.002 20 0 BCADHN Cn1ccc(N2CC[C@@H](NCC3CC3)C2=O)n1 ZINC000360094268 387825181 /nfs/dbraw/zinc/82/51/81/387825181.db2.gz ZPUSSDJOFZXIIQ-SNVBAGLBSA-N 0 3 234.303 0.525 20 0 BCADHN CCC[C@](C)(O)C(=O)NC[C@H](C)N(C)C ZINC000432808507 387825511 /nfs/dbraw/zinc/82/55/11/387825511.db2.gz SLAMLCAKUUPJJO-ONGXEEELSA-N 0 3 216.325 0.604 20 0 BCADHN CCN1CCC[C@H]1CNCc1cn(C)nn1 ZINC000054858666 387830387 /nfs/dbraw/zinc/83/03/87/387830387.db2.gz XISMDDYPAUCFJO-NSHDSACASA-N 0 3 223.324 0.389 20 0 BCADHN Cc1nc(CCN(C)C[C@@H](O)C(C)C)no1 ZINC000432828863 387830978 /nfs/dbraw/zinc/83/09/78/387830978.db2.gz LAIPWCFUICUKNO-SNVBAGLBSA-N 0 3 227.308 0.869 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)c1nc(C)no1 ZINC000442730309 387831278 /nfs/dbraw/zinc/83/12/78/387831278.db2.gz NELOJDFHRKKIJK-FJXKBIBVSA-N 0 3 240.307 0.929 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CCCN(C)C1=O ZINC000442736034 387833262 /nfs/dbraw/zinc/83/32/62/387833262.db2.gz KBPAPLLEZSFZSC-UTLUCORTSA-N 0 3 241.335 0.097 20 0 BCADHN CCCNS(=O)(=O)N1CCNC[C@H]1C(C)C ZINC000528049544 387838072 /nfs/dbraw/zinc/83/80/72/387838072.db2.gz QFPQFGAAYFJGHQ-JTQLQIEISA-N 0 3 249.380 0.161 20 0 BCADHN CN(C)CCNC(=O)Cc1cccc(N)c1 ZINC000020185885 387842380 /nfs/dbraw/zinc/84/23/80/387842380.db2.gz ZUGGRQRGUFVMSI-UHFFFAOYSA-N 0 3 221.304 0.489 20 0 BCADHN C[C@H](CNC(=O)C1(C(=O)C2CC2)CC1)N(C)C ZINC000448675783 387843182 /nfs/dbraw/zinc/84/31/82/387843182.db2.gz DSFSPGSPQYOPDQ-SECBINFHSA-N 0 3 238.331 0.812 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](C)CCCCO ZINC000452509431 387843395 /nfs/dbraw/zinc/84/33/95/387843395.db2.gz HAUXMDVLRWGKIY-NSHDSACASA-N 0 3 230.352 0.996 20 0 BCADHN CC(C)N1CCC[C@H](NC(=O)CN(C)C)C1 ZINC000442802954 387843955 /nfs/dbraw/zinc/84/39/55/387843955.db2.gz UMNGUQYJOPKNLX-NSHDSACASA-N 0 3 227.352 0.537 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)CCCCO)N(C)C ZINC000452518509 387846319 /nfs/dbraw/zinc/84/63/19/387846319.db2.gz YCOWPZMQOXSGOX-WDEREUQCSA-N 0 3 230.352 0.994 20 0 BCADHN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1C[C@@H]1N ZINC000424165125 387847595 /nfs/dbraw/zinc/84/75/95/387847595.db2.gz DMRHNYMETXPELX-HLTSFMKQSA-N 0 3 241.335 0.095 20 0 BCADHN CN1CC[C@@H](CNC(=O)c2cccnn2)C1 ZINC000528116025 387848350 /nfs/dbraw/zinc/84/83/50/387848350.db2.gz KYDYFARDBYEKMC-VIFPVBQESA-N 0 3 220.276 0.158 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)Nc1cncnc1N1CCCC1 ZINC000424164369 387848985 /nfs/dbraw/zinc/84/89/85/387848985.db2.gz CDZLKQYRRMZTFO-DTWKUNHWSA-N 0 3 247.302 0.363 20 0 BCADHN COC[C@@H]1CCCN(CC(=O)NC(C)C)C1 ZINC000062161012 387851567 /nfs/dbraw/zinc/85/15/67/387851567.db2.gz LNDDIQHIMZNWKW-LLVKDONJSA-N 0 3 228.336 0.869 20 0 BCADHN CCCC[C@@H](N)C(=O)N1CCn2ccnc2C1 ZINC000062254852 387851665 /nfs/dbraw/zinc/85/16/65/387851665.db2.gz KMXDCVATCUJEFB-SNVBAGLBSA-N 0 3 236.319 0.743 20 0 BCADHN COC[C@H]1CCCN(CC(=O)NC(C)C)C1 ZINC000062161010 387852555 /nfs/dbraw/zinc/85/25/55/387852555.db2.gz LNDDIQHIMZNWKW-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN C[C@H](NC(=O)[C@@H]1C[C@@H]1N)[C@H](O)Cc1ccccc1 ZINC000424166533 387854648 /nfs/dbraw/zinc/85/46/48/387854648.db2.gz COGSKOJKHZLXGS-ZBAXXZLZSA-N 0 3 248.326 0.442 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@H](N)C(C)C ZINC000157586576 387857466 /nfs/dbraw/zinc/85/74/66/387857466.db2.gz VSVYCCOPHUAIJC-RKDXNWHRSA-N 0 3 202.298 0.247 20 0 BCADHN CCOC[C@@H](NC(=O)[C@@H]1C[C@@H]1N)C(C)C ZINC000424167894 387858181 /nfs/dbraw/zinc/85/81/81/387858181.db2.gz FFFONQCEWOQNKE-KXUCPTDWSA-N 0 3 214.309 0.511 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@@H](N)CCSC ZINC000157620934 387859032 /nfs/dbraw/zinc/85/90/32/387859032.db2.gz PYXGSBODHYEKGM-IUCAKERBSA-N 0 3 234.365 0.344 20 0 BCADHN COCCN(C)C(=O)[C@H](N)C(C)(C)C ZINC000157673267 387863799 /nfs/dbraw/zinc/86/37/99/387863799.db2.gz UMJPYSCYLRFWRK-QMMMGPOBSA-N 0 3 202.298 0.465 20 0 BCADHN C[C@]1(C(=O)N[C@@H]2CNCCC2(F)F)C[C@@H]1F ZINC000424169975 387864901 /nfs/dbraw/zinc/86/49/01/387864901.db2.gz APSOUOGGCUBHTO-OOZYFLPDSA-N 0 3 236.237 0.848 20 0 BCADHN CN(CCO)Cc1ccc2c[nH]nc2c1 ZINC000157729514 387869016 /nfs/dbraw/zinc/86/90/16/387869016.db2.gz PGNUTFWZEXGMGL-UHFFFAOYSA-N 0 3 205.261 0.987 20 0 BCADHN COC(=O)CCCN(C)[C@@H](CO)COC(C)C ZINC000433149607 387870690 /nfs/dbraw/zinc/87/06/90/387870690.db2.gz UJWZGGYCVCFECN-NSHDSACASA-N 0 3 247.335 0.657 20 0 BCADHN CCC[C@](C)(O)C(=O)NCCN(C)CC ZINC000433146389 387872161 /nfs/dbraw/zinc/87/21/61/387872161.db2.gz VEZPLFZINVJCQP-NSHDSACASA-N 0 3 216.325 0.605 20 0 BCADHN O=C(NC[C@@H]1CCCCN1CCO)C1CCC1 ZINC000452385478 387814692 /nfs/dbraw/zinc/81/46/92/387814692.db2.gz DHUJTZIVVHEPGH-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN CCCC(=O)NC[C@H]1CCCCN1CCO ZINC000452384007 387814735 /nfs/dbraw/zinc/81/47/35/387814735.db2.gz BJUDLWFOYUHCHY-LLVKDONJSA-N 0 3 228.336 0.750 20 0 BCADHN CC(C)[C@@H](O)CN(C)CCNC(=O)N(C)C ZINC000432781313 387816778 /nfs/dbraw/zinc/81/67/78/387816778.db2.gz QTHHXXPVCRYRBY-JTQLQIEISA-N 0 3 231.340 0.206 20 0 BCADHN CCOCC[C@H](O)CN1CCC[C@@H](OC)C1 ZINC000444611544 387891673 /nfs/dbraw/zinc/89/16/73/387891673.db2.gz QPPROHZARIJHFP-NWDGAFQWSA-N 0 3 231.336 0.885 20 0 BCADHN CC[C@@H](CN(C)CCOCCO)OC ZINC000397034637 387891877 /nfs/dbraw/zinc/89/18/77/387891877.db2.gz RHUIKLVHTADUAA-JTQLQIEISA-N 0 3 205.298 0.352 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@H](O)[C@H]1C ZINC000452708844 387892100 /nfs/dbraw/zinc/89/21/00/387892100.db2.gz QJWZPLIKGLEYNB-GHMZBOCLSA-N 0 3 228.336 0.700 20 0 BCADHN C[C@H](O)CN(C)C(=O)C1CCN(C2CC2)CC1 ZINC000194719940 387894076 /nfs/dbraw/zinc/89/40/76/387894076.db2.gz IYAGKYVZLQNTDW-JTQLQIEISA-N 0 3 240.347 0.700 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@@H]1C[C@@H]1N ZINC000424182694 387897470 /nfs/dbraw/zinc/89/74/70/387897470.db2.gz UNYLYZWNERLOSU-XAVMHZPKSA-N 0 3 228.292 0.038 20 0 BCADHN CCC[C@H](N)C(=O)NC[C@@H]1CCNCC1(F)F ZINC000424175110 387877980 /nfs/dbraw/zinc/87/79/80/387877980.db2.gz NFCAADVXTULSNW-IUCAKERBSA-N 0 3 249.305 0.475 20 0 BCADHN CCC[C@@H](N)C(=O)NC[C@H]1CCNCC1(F)F ZINC000424175111 387878104 /nfs/dbraw/zinc/87/81/04/387878104.db2.gz NFCAADVXTULSNW-RKDXNWHRSA-N 0 3 249.305 0.475 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCCCNC(C)=O ZINC000151740880 387878428 /nfs/dbraw/zinc/87/84/28/387878428.db2.gz WGGLSJVFDSITPG-SCZZXKLOSA-N 0 3 229.324 0.002 20 0 BCADHN C[C@@H](CNC(=O)CO)N1CCCC[C@H]1C ZINC000448696135 387879042 /nfs/dbraw/zinc/87/90/42/387879042.db2.gz DZEVEBOYTNZSSP-ZJUUUORDSA-N 0 3 214.309 0.358 20 0 BCADHN Cn1cc(NC(=O)[C@@]2(F)CCNC2)cn1 ZINC000151843743 387879325 /nfs/dbraw/zinc/87/93/25/387879325.db2.gz YAKKOBHURSWWAH-SECBINFHSA-N 0 3 212.228 0.060 20 0 BCADHN CS[C@H](CO)[C@@H](C)NCc1cncn1C ZINC000152417115 387884225 /nfs/dbraw/zinc/88/42/25/387884225.db2.gz PRKDMGHINCOLIM-PSASIEDQSA-N 0 3 229.349 0.622 20 0 BCADHN O=C(Nc1ccc2c(c1)OCC(=O)N2)[C@H]1CCN1 ZINC000444155495 387884751 /nfs/dbraw/zinc/88/47/51/387884751.db2.gz LPYNDGXAOJPCBU-SECBINFHSA-N 0 3 247.254 0.318 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1C[C@@H]1N)c1nccs1 ZINC000424178591 387888374 /nfs/dbraw/zinc/88/83/74/387888374.db2.gz XDFTXXWBLOZAHG-PRJMDXOYSA-N 0 3 225.317 0.710 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@@H](CC)OC ZINC000423141634 387918066 /nfs/dbraw/zinc/91/80/66/387918066.db2.gz RAGYBQDEUAHNQF-OUAUKWLOSA-N 0 3 244.335 0.295 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@H](CC)OC ZINC000423141631 387918784 /nfs/dbraw/zinc/91/87/84/387918784.db2.gz RAGYBQDEUAHNQF-GARJFASQSA-N 0 3 244.335 0.295 20 0 BCADHN CN(CCC[C@H]1CCOC1)CC(N)=O ZINC000645775905 387899757 /nfs/dbraw/zinc/89/97/57/387899757.db2.gz DDLSCXZVSZJXNP-VIFPVBQESA-N 0 3 200.282 0.220 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@H](C)[C@H](C)OC ZINC000423141605 387919211 /nfs/dbraw/zinc/91/92/11/387919211.db2.gz QUYAUZYIEHRYEF-VPOLOUISSA-N 0 3 244.335 0.293 20 0 BCADHN CCOCC[C@@H](O)CN(CC(N)=O)C(C)(C)C ZINC000444654209 387901362 /nfs/dbraw/zinc/90/13/62/387901362.db2.gz WHXUWQZYCNXANJ-SNVBAGLBSA-N 0 3 246.351 0.360 20 0 BCADHN COCC[C@](C)(O)CNCc1ccc(CO)o1 ZINC000174401435 387903100 /nfs/dbraw/zinc/90/31/00/387903100.db2.gz XBIZUYCRCWQIHO-LBPRGKRZSA-N 0 3 243.303 0.649 20 0 BCADHN CCN1CCN(C[C@H](O)CC2(O)CCC2)CC1 ZINC000528344868 387903899 /nfs/dbraw/zinc/90/38/99/387903899.db2.gz MOYAPJGHQXWQHR-GFCCVEGCSA-N 0 3 242.363 0.290 20 0 BCADHN COC(=O)[C@@H](C)CNC(=O)[C@@H](N)C1CCC1 ZINC000423126452 387904722 /nfs/dbraw/zinc/90/47/22/387904722.db2.gz IUZDUOOGMOLCAL-CBAPKCEASA-N 0 3 228.292 0.039 20 0 BCADHN CCOCC[C@@H](O)CN[C@H](C(=O)NC)C(C)C ZINC000444678976 387905439 /nfs/dbraw/zinc/90/54/39/387905439.db2.gz YTBCJAKEQCJTQQ-MNOVXSKESA-N 0 3 246.351 0.134 20 0 BCADHN CCCC[C@H](N)C(=O)N(C)CCCC(=O)NC ZINC000236756983 387905840 /nfs/dbraw/zinc/90/58/40/387905840.db2.gz YNBPKRQQNHSANY-JTQLQIEISA-N 0 3 243.351 0.489 20 0 BCADHN CCCC[C@H](N)C(=O)N[C@@H](CC)C(=O)OC ZINC000236833664 387907183 /nfs/dbraw/zinc/90/71/83/387907183.db2.gz JGICCEPKRIMCDD-IUCAKERBSA-N 0 3 230.308 0.572 20 0 BCADHN CCOCC[C@H](O)CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000444690182 387910985 /nfs/dbraw/zinc/91/09/85/387910985.db2.gz RIEBTNPCODEOPZ-AVGNSLFASA-N 0 3 244.379 0.798 20 0 BCADHN CC[C@H](N)C(=O)Nc1nc2c(s1)COCC2 ZINC000236973102 387913254 /nfs/dbraw/zinc/91/32/54/387913254.db2.gz CJEPCSAEPAOAHU-LURJTMIESA-N 0 3 241.316 0.892 20 0 BCADHN CCOC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424189936 387913866 /nfs/dbraw/zinc/91/38/66/387913866.db2.gz NERWJDLCPPJPFX-RGOKHQFPSA-N 0 3 240.303 0.182 20 0 BCADHN CC[C@@H](C)[C@@H](N)C(=O)NCC(C)(C)C(=O)OC ZINC000236963164 387914487 /nfs/dbraw/zinc/91/44/87/387914487.db2.gz RWKJCTVGKJTFOI-RKDXNWHRSA-N 0 3 244.335 0.675 20 0 BCADHN NCC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000237953389 387929270 /nfs/dbraw/zinc/92/92/70/387929270.db2.gz KBTKCXCPNWPNEQ-LLVKDONJSA-N 0 3 219.288 0.658 20 0 BCADHN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@@H](CC)[C@@H](C)O ZINC000423150961 387930310 /nfs/dbraw/zinc/93/03/10/387930310.db2.gz JKFCCILWEQIMBD-VPOLOUISSA-N 0 3 244.335 0.029 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000424211357 387931348 /nfs/dbraw/zinc/93/13/48/387931348.db2.gz XTPPNINKZRPKKG-USZNOCQGSA-N 0 3 238.331 0.670 20 0 BCADHN CC(C)(N)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000424213783 387931387 /nfs/dbraw/zinc/93/13/87/387931387.db2.gz AURLKSNJXKGBEC-SECBINFHSA-N 0 3 237.307 0.179 20 0 BCADHN CC(C)[C@@H](CO)C(=O)NCCN1CCCC1 ZINC000448602259 387933689 /nfs/dbraw/zinc/93/36/89/387933689.db2.gz ABMRLJRVGSANFK-LLVKDONJSA-N 0 3 228.336 0.463 20 0 BCADHN CCN1C[C@H](N[C@H](C)c2cnccc2N)CC1=O ZINC000423154916 387933682 /nfs/dbraw/zinc/93/36/82/387933682.db2.gz PPVZSKFQNDOZGJ-NXEZZACHSA-N 0 3 248.330 0.766 20 0 BCADHN CO[C@H](CN)C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000424218778 387936537 /nfs/dbraw/zinc/93/65/37/387936537.db2.gz WYFWSUTYBGMARC-IVZWLZJFSA-N 0 3 212.293 0.265 20 0 BCADHN C[C@@H](O)CN1CCN(C[C@@H]2CCCOC2)CC1 ZINC000438294126 387920233 /nfs/dbraw/zinc/92/02/33/387920233.db2.gz XJIGVEOEQYYWJV-OLZOCXBDSA-N 0 3 242.363 0.411 20 0 BCADHN C[C@H](NCCCC(=O)N(C)C)c1cnn(C)c1 ZINC000177990447 387920876 /nfs/dbraw/zinc/92/08/76/387920876.db2.gz AYHHREYBLALROT-JTQLQIEISA-N 0 3 238.335 0.939 20 0 BCADHN CC[C@H]1CCCN(C(=O)C(=O)N(C)CCN)C1 ZINC000423145991 387923393 /nfs/dbraw/zinc/92/33/93/387923393.db2.gz NKBXIHYBBRURQA-JTQLQIEISA-N 0 3 241.335 0.052 20 0 BCADHN N[C@@H](C(=O)N[C@@H]1C[C@H]2C[C@H]2C1)C1CCOCC1 ZINC000424199539 387926833 /nfs/dbraw/zinc/92/68/33/387926833.db2.gz FHYKVZHVUNBTDH-WRWGMCAJSA-N 0 3 238.331 0.655 20 0 BCADHN CO[C@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)C(C)C ZINC000452983025 387951897 /nfs/dbraw/zinc/95/18/97/387951897.db2.gz YTMDDQNATJNXJT-TUAOUCFPSA-N 0 3 240.347 0.820 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N[C@H]1CCCOC1 ZINC000071023662 134928523 /nfs/dbraw/zinc/92/85/23/134928523.db2.gz PHJIPUSGUJDXFF-VHSXEESVSA-N 0 3 214.309 0.655 20 0 BCADHN CC(C)NC(=O)NCCN1CC[C@@H](CO)C1 ZINC000645807550 387954831 /nfs/dbraw/zinc/95/48/31/387954831.db2.gz LISFJHZPQRQAHT-SNVBAGLBSA-N 0 3 229.324 0.008 20 0 BCADHN CC[C@@H](C(=O)N(C)CC1(CO)CC1)N(C)C ZINC000438501457 387938492 /nfs/dbraw/zinc/93/84/92/387938492.db2.gz MPTAETPVDLVSKP-JTQLQIEISA-N 0 3 228.336 0.558 20 0 BCADHN CCN1CCN(CCC(=O)NC(C)(C)C)CC1 ZINC000244495857 387939510 /nfs/dbraw/zinc/93/95/10/387939510.db2.gz ZKHZZSXQCDHIHT-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN CCCCN(C)C(=O)C1(N)CCOCC1 ZINC000149635622 387941630 /nfs/dbraw/zinc/94/16/30/387941630.db2.gz LDPHIJCPEFAZED-UHFFFAOYSA-N 0 3 214.309 0.753 20 0 BCADHN CCCN(C)CC(=O)N(CCO)CCCOC ZINC000438524423 387941624 /nfs/dbraw/zinc/94/16/24/387941624.db2.gz RAYOJTLUHPRQJS-UHFFFAOYSA-N 0 3 246.351 0.186 20 0 BCADHN Cc1cc(CN)cc(NC(=O)C(=O)NC2CC2)c1 ZINC000424250801 387943665 /nfs/dbraw/zinc/94/36/65/387943665.db2.gz XMUFGWZSZKPFJQ-UHFFFAOYSA-N 0 3 247.298 0.671 20 0 BCADHN CC[C@H](C(=O)N[C@H]1CC(=O)N(CC)C1)N(C)C ZINC000452958379 387944410 /nfs/dbraw/zinc/94/44/10/387944410.db2.gz QPTZOEURPXBDAB-VHSXEESVSA-N 0 3 241.335 0.064 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)NC[C@](C)(O)CN(C)C ZINC000438590332 387945263 /nfs/dbraw/zinc/94/52/63/387945263.db2.gz XBHOBYSBEAFGIZ-FOGDFJRCSA-N 0 3 243.351 0.397 20 0 BCADHN CCC(CC)[C@@H](O)CNC(=O)CNCCOC ZINC000226347610 387945523 /nfs/dbraw/zinc/94/55/23/387945523.db2.gz SKCLFMFGORHYMU-NSHDSACASA-N 0 3 246.351 0.136 20 0 BCADHN CCC(CC)[C@H](O)CNC(=O)CNCCOC ZINC000226347615 387945893 /nfs/dbraw/zinc/94/58/93/387945893.db2.gz SKCLFMFGORHYMU-LLVKDONJSA-N 0 3 246.351 0.136 20 0 BCADHN CC[C@H](N)C(=O)NC1CCN(CC(F)F)CC1 ZINC000645805810 387949379 /nfs/dbraw/zinc/94/93/79/387949379.db2.gz NZPUYGKLXANNST-VIFPVBQESA-N 0 3 249.305 0.569 20 0 BCADHN CC(C)(N)C(=O)NC1CCN(CC(F)F)CC1 ZINC000645805622 387949556 /nfs/dbraw/zinc/94/95/56/387949556.db2.gz BTRGGKJDDTVSRA-UHFFFAOYSA-N 0 3 249.305 0.569 20 0 BCADHN CCc1nc(CN[C@H]2CCSC2)n[nH]1 ZINC000392308056 387951614 /nfs/dbraw/zinc/95/16/14/387951614.db2.gz CTAWSRVMFGJYLE-ZETCQYMHSA-N 0 3 212.322 0.962 20 0 BCADHN O=C(CNCC1CC1)Nc1ccc[nH]c1=O ZINC000645809733 387957957 /nfs/dbraw/zinc/95/79/57/387957957.db2.gz HFBQIYCARUDZFB-UHFFFAOYSA-N 0 3 221.260 0.725 20 0 BCADHN O=C(CCOC1CNC1)Nc1ccc[nH]c1=O ZINC000645809741 387958370 /nfs/dbraw/zinc/95/83/70/387958370.db2.gz HPEZBUVPVYDIFY-UHFFFAOYSA-N 0 3 237.259 0.104 20 0 BCADHN COC[C@H](O)CN1CCS[C@@H]2COCC[C@H]21 ZINC000245547957 387958679 /nfs/dbraw/zinc/95/86/79/387958679.db2.gz XANXWGQIYWMOEE-GMTAPVOTSA-N 0 3 247.360 0.200 20 0 BCADHN COCCOC[C@H](O)CN1CC(C2CCC2)C1 ZINC000453015248 387961631 /nfs/dbraw/zinc/96/16/31/387961631.db2.gz LKUQNNCWWWPEDS-CYBMUJFWSA-N 0 3 243.347 0.742 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000423186103 387972186 /nfs/dbraw/zinc/97/21/86/387972186.db2.gz WJLNCSZIRNYFAO-FIQHERPVSA-N 0 3 242.363 0.898 20 0 BCADHN CCC1(CC)CN(CCC(=O)NC(N)=O)C1 ZINC000453026533 387965060 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XLERVMXBYASLTN-LLVKDONJSA-N 0 3 248.392 0.998 20 0 BCADHN CCOCCNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108548759 388033152 /nfs/dbraw/zinc/03/31/52/388033152.db2.gz HVNSPIUYDKZGGM-NSHDSACASA-N 0 3 243.351 0.664 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1C2CCC1CC2 ZINC000533237269 388034028 /nfs/dbraw/zinc/03/40/28/388034028.db2.gz KELNBCCSCGMUAP-JECWYVHBSA-N 0 3 211.265 0.197 20 0 BCADHN CCC1(CC)CCN(CC(=O)NC(=O)NC)C1 ZINC000446743996 388035221 /nfs/dbraw/zinc/03/52/21/388035221.db2.gz XCONSVQQNTXGLW-UHFFFAOYSA-N 0 3 241.335 0.954 20 0 BCADHN CCOCCNC(=O)CN(C[C@H](C)O)C(C)C ZINC000440333570 388038174 /nfs/dbraw/zinc/03/81/74/388038174.db2.gz CBNDKABEGINGNN-NSHDSACASA-N 0 3 246.351 0.230 20 0 BCADHN C[C@H]1C[C@H](C(=O)NCCNc2ccncc2)CO1 ZINC000440310791 388038589 /nfs/dbraw/zinc/03/85/89/388038589.db2.gz YPYXDCKZQJSAKJ-QWRGUYRKSA-N 0 3 249.314 0.457 20 0 BCADHN NS(=O)(=O)C[C@H]1CCCN1CC1=CCCC1 ZINC000645827888 388038666 /nfs/dbraw/zinc/03/86/66/388038666.db2.gz ASMRLCVINRNXST-LLVKDONJSA-N 0 3 244.360 0.850 20 0 BCADHN CCOCCNC(=O)CN(C[C@@H](C)O)C(C)C ZINC000440333567 388039177 /nfs/dbraw/zinc/03/91/77/388039177.db2.gz CBNDKABEGINGNN-LLVKDONJSA-N 0 3 246.351 0.230 20 0 BCADHN CCOCCNC(=O)CN1C[C@H](C)[C@@H](C)C1 ZINC000440348693 388040249 /nfs/dbraw/zinc/04/02/49/388040249.db2.gz KTANIKKFVFRWIP-QWRGUYRKSA-N 0 3 228.336 0.727 20 0 BCADHN C[C@H](SCCN(C)C)C(=O)NC1CC1 ZINC000446571670 388027133 /nfs/dbraw/zinc/02/71/33/388027133.db2.gz GGBHSIZBZPUQTO-QMMMGPOBSA-N 0 3 216.350 0.948 20 0 BCADHN CCCNC(=O)NC(=O)CSCCN(C)C ZINC000446564229 388027261 /nfs/dbraw/zinc/02/72/61/388027261.db2.gz IWZUISRGUNFAPY-UHFFFAOYSA-N 0 3 247.364 0.517 20 0 BCADHN CCN1CCC[C@H](NC(=O)[C@@]2(F)CCNC2)C1 ZINC000246279256 388027367 /nfs/dbraw/zinc/02/73/67/388027367.db2.gz MLEGKSPFFVTAAA-CMPLNLGQSA-N 0 3 243.326 0.289 20 0 BCADHN CNS(=O)(=O)CCCSCCN(C)C ZINC000446572118 388027522 /nfs/dbraw/zinc/02/75/22/388027522.db2.gz IVUFOJIAHPYDMH-UHFFFAOYSA-N 0 3 240.394 0.221 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2nccnc2N)C1 ZINC000108462081 388030897 /nfs/dbraw/zinc/03/08/97/388030897.db2.gz HBUZTWGSKWREGX-SECBINFHSA-N 0 3 249.318 0.130 20 0 BCADHN COC[C@H](NCC(=O)NCC1CC1)C(C)C ZINC000083399842 388051038 /nfs/dbraw/zinc/05/10/38/388051038.db2.gz HVSZIJOAQBZOAX-NSHDSACASA-N 0 3 228.336 0.773 20 0 BCADHN COC1(CO)CCN(Cc2ccn(C)c2)CC1 ZINC000447064334 388051591 /nfs/dbraw/zinc/05/15/91/388051591.db2.gz WHRGZFDBFYXYLZ-UHFFFAOYSA-N 0 3 238.331 0.998 20 0 BCADHN COC(=O)CC1(CN2C[C@@H](O)C3(CC3)C2)CC1 ZINC000440533413 388052655 /nfs/dbraw/zinc/05/26/55/388052655.db2.gz IDDCKJUPUJGNGV-SNVBAGLBSA-N 0 3 239.315 0.786 20 0 BCADHN CC[C@H](N[C@H]1C[C@@H](O)C1)c1cnn(C)c1 ZINC000453348550 388053521 /nfs/dbraw/zinc/05/35/21/388053521.db2.gz CRMUVYIHLBEBMV-AXFHLTTASA-N 0 3 209.293 0.984 20 0 BCADHN COC[C@@](C)(CC(=O)OC)NC[C@@H]1CCCO1 ZINC000440554207 388054951 /nfs/dbraw/zinc/05/49/51/388054951.db2.gz CPXZSJWTBYCJMD-CMPLNLGQSA-N 0 3 245.319 0.723 20 0 BCADHN C[C@H](CC(=O)OC(C)(C)C)N[C@@H]1COC[C@H]1O ZINC000453363325 388059413 /nfs/dbraw/zinc/05/94/13/388059413.db2.gz UUWJFRKLKIUTCG-OPRDCNLKSA-N 0 3 245.319 0.456 20 0 BCADHN CCCCN(C)S(=O)(=O)N1CCN[C@H](C)C1 ZINC000083814432 388063301 /nfs/dbraw/zinc/06/33/01/388063301.db2.gz PWDZEHOIBHHMKQ-SNVBAGLBSA-N 0 3 249.380 0.257 20 0 BCADHN CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)NCCN ZINC000083863399 388063503 /nfs/dbraw/zinc/06/35/03/388063503.db2.gz WKKCTYHEQKDJQS-RKDXNWHRSA-N 0 3 229.324 0.002 20 0 BCADHN C[C@@H](N)C(=O)NCCc1ccc2c(c1)CCO2 ZINC000083887671 388065046 /nfs/dbraw/zinc/06/50/46/388065046.db2.gz JECQRIBQBRBFQV-SECBINFHSA-N 0 3 234.299 0.627 20 0 BCADHN Cc1ccc2c(c1)nc(CNC(=O)[C@@H](C)N)n2C ZINC000083887836 388065598 /nfs/dbraw/zinc/06/55/98/388065598.db2.gz SCNRUKQNYBTWBE-SECBINFHSA-N 0 3 246.314 0.845 20 0 BCADHN CC(=O)NCc1ccc(NC(=O)[C@H](C)N)cc1 ZINC000083915537 388066686 /nfs/dbraw/zinc/06/66/86/388066686.db2.gz GGWBUPHMJBRESK-QMMMGPOBSA-N 0 3 235.287 0.608 20 0 BCADHN CC[C@H](N[C@@H](C)C(C)(C)OC)C(=O)NC ZINC000453399514 388072406 /nfs/dbraw/zinc/07/24/06/388072406.db2.gz KFTCXECLXYHNTA-IUCAKERBSA-N 0 3 216.325 0.914 20 0 BCADHN CC[C@@H](N[C@H](COC)C1CC1)C(=O)NC ZINC000453401887 388073361 /nfs/dbraw/zinc/07/33/61/388073361.db2.gz LTEHYTHQAOODMR-NXEZZACHSA-N 0 3 214.309 0.526 20 0 BCADHN CC[C@@H](C)[C@H](NC(=O)[C@@H](N)CC)C(=O)OC ZINC000084200098 388074260 /nfs/dbraw/zinc/07/42/60/388074260.db2.gz ZATFQFSLKYHPJE-VGMNWLOBSA-N 0 3 230.308 0.428 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NC[C@](C)(O)C1CC1 ZINC000336658368 388074500 /nfs/dbraw/zinc/07/45/00/388074500.db2.gz ITDFUKGGUZSNDV-ONGXEEELSA-N 0 3 249.376 0.560 20 0 BCADHN CC(C)[C@H](O)CN1CC[C@](F)(CO)C1 ZINC000433188744 388076052 /nfs/dbraw/zinc/07/60/52/388076052.db2.gz CYHIARNEAFAUFU-NXEZZACHSA-N 0 3 205.273 0.410 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@](F)(CO)C1 ZINC000433188746 388076479 /nfs/dbraw/zinc/07/64/79/388076479.db2.gz CYHIARNEAFAUFU-VHSXEESVSA-N 0 3 205.273 0.410 20 0 BCADHN COC[C@H](C)N(C)C(=O)[C@@H](N)CC(F)F ZINC000336658898 388079473 /nfs/dbraw/zinc/07/94/73/388079473.db2.gz BHTDYVAFLFOLBT-BQBZGAKWSA-N 0 3 224.251 0.462 20 0 BCADHN CC[C@H](N[C@@H]1CCOC1(C)C)C(=O)NC ZINC000453422224 388080549 /nfs/dbraw/zinc/08/05/49/388080549.db2.gz XEILNCLEBIOCDA-DTWKUNHWSA-N 0 3 214.309 0.668 20 0 BCADHN CN(CCCCCO)C(=O)[C@H]1CCCN1C ZINC000447645109 388085558 /nfs/dbraw/zinc/08/55/58/388085558.db2.gz BGBPSONMQACAJY-LLVKDONJSA-N 0 3 228.336 0.702 20 0 BCADHN C[C@H]1CCN([C@@H]2COC[C@H]2O)CCS1 ZINC000463214743 388088550 /nfs/dbraw/zinc/08/85/50/388088550.db2.gz UJHZGLDJESSZLE-IVZWLZJFSA-N 0 3 217.334 0.574 20 0 BCADHN CC(C)[C@H]1CN([C@@H]2COC[C@H]2O)CCN1C ZINC000463212411 388088964 /nfs/dbraw/zinc/08/89/64/388088964.db2.gz TXRBDBSNVIGENN-IJLUTSLNSA-N 0 3 228.336 0.018 20 0 BCADHN CO[C@@H](C)C(=O)NCCN1CCC(C)CC1 ZINC000056603874 388098402 /nfs/dbraw/zinc/09/84/02/388098402.db2.gz JAZSTSMZEUSEPE-NSHDSACASA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H](O)CN(C)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000464339388 388099496 /nfs/dbraw/zinc/09/94/96/388099496.db2.gz SWEHIXHROHZVAF-VWYCJHECSA-N 0 3 243.351 0.491 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)c1cn[nH]c1 ZINC000086190024 388100917 /nfs/dbraw/zinc/10/09/17/388100917.db2.gz OHSSWJZYIKDAGK-JTQLQIEISA-N 0 3 222.292 0.576 20 0 BCADHN C[C@@H]1CN(C(=O)CCn2cccn2)[C@H](C)CN1 ZINC000086467690 388102868 /nfs/dbraw/zinc/10/28/68/388102868.db2.gz NBBVULYZSUNASP-GHMZBOCLSA-N 0 3 236.319 0.482 20 0 BCADHN NC(=O)[C@H]1CCCN(Cc2cnc(N)s2)C1 ZINC000086765581 388107827 /nfs/dbraw/zinc/10/78/27/388107827.db2.gz YSJULSGWZQXGLX-ZETCQYMHSA-N 0 3 240.332 0.423 20 0 BCADHN C[C@@H](CNC(=O)NC[C@@H]1C[C@H]1C)N(C)C ZINC000454266173 388110712 /nfs/dbraw/zinc/11/07/12/388110712.db2.gz IMVAYIZYFLJTSZ-UTLUCORTSA-N 0 3 213.325 0.892 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454261814 388111196 /nfs/dbraw/zinc/11/11/96/388111196.db2.gz DOVSDRBFDPVLKU-WRWGMCAJSA-N 0 3 237.347 0.988 20 0 BCADHN CCOC[C@@H](O)CNCc1c(C)noc1C ZINC000083142151 388046466 /nfs/dbraw/zinc/04/64/66/388046466.db2.gz HJLLQNSUMSFHPC-JTQLQIEISA-N 0 3 228.292 0.778 20 0 BCADHN COC(=O)CC1(CN2C[C@H](O)C[C@H]2C)CC1 ZINC000440509661 388048067 /nfs/dbraw/zinc/04/80/67/388048067.db2.gz GDJPYMKSPIEORY-NXEZZACHSA-N 0 3 227.304 0.785 20 0 BCADHN Cc1ccccc1[C@H](N)C(=O)NCc1c[nH]nn1 ZINC000646142189 388155952 /nfs/dbraw/zinc/15/59/52/388155952.db2.gz APBNFGKFPMYBSF-NSHDSACASA-N 0 3 245.286 0.429 20 0 BCADHN NC1(C(=O)NC[C@H](O)C2CCCCC2)CCC1 ZINC000449221705 388159329 /nfs/dbraw/zinc/15/93/29/388159329.db2.gz AWJSILHCKDVMPQ-NSHDSACASA-N 0 3 240.347 0.925 20 0 BCADHN CC(C)C[C@H](CO)NC(=O)NC[C@H](C)N(C)C ZINC000455434138 388159769 /nfs/dbraw/zinc/15/97/69/388159769.db2.gz QEDCFMTUUWGFCJ-WDEREUQCSA-N 0 3 245.367 0.643 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1COCC1(C)C)N(C)C ZINC000455450307 388160059 /nfs/dbraw/zinc/16/00/59/388160059.db2.gz WSPQTHCHIUVLGG-VHSXEESVSA-N 0 3 243.351 0.661 20 0 BCADHN CO[C@H](C)CN(C)C(=O)NC[C@H](C)N(C)C ZINC000455439022 388160428 /nfs/dbraw/zinc/16/04/28/388160428.db2.gz YPNGTFQYUAHUCQ-VHSXEESVSA-N 0 3 231.340 0.613 20 0 BCADHN CO[C@@H](C)CN(C)C(=O)NC[C@H](C)N(C)C ZINC000455439021 388160638 /nfs/dbraw/zinc/16/06/38/388160638.db2.gz YPNGTFQYUAHUCQ-UWVGGRQHSA-N 0 3 231.340 0.613 20 0 BCADHN CC[C@H](O)CCCNC(=O)[C@H]1NCC1(C)C ZINC000646193411 388162172 /nfs/dbraw/zinc/16/21/72/388162172.db2.gz BWWRIBZOFCQBEU-VHSXEESVSA-N 0 3 228.336 0.652 20 0 BCADHN C[C@H](C[C@@H]1CCCO1)NC(=O)C1(N)CCC1 ZINC000449269283 388165031 /nfs/dbraw/zinc/16/50/31/388165031.db2.gz ADUIENYFUSLEFB-ZJUUUORDSA-N 0 3 226.320 0.942 20 0 BCADHN CCC[C@@H]1CNCCN1C(=O)[C@@H](C)NC1CC1 ZINC000449379703 388187869 /nfs/dbraw/zinc/18/78/69/388187869.db2.gz JQKDMVNFDQEOJV-ZYHUDNBSSA-N 0 3 239.363 0.727 20 0 BCADHN Cc1ccc(C(=O)N[C@@H](CO)CN(C)C)cc1 ZINC000646211226 388165233 /nfs/dbraw/zinc/16/52/33/388165233.db2.gz XKYOCTYVOPVZKD-GFCCVEGCSA-N 0 3 236.315 0.647 20 0 BCADHN CC[C@@](C)(NC(=O)[C@@H](C)NC1CC1)C(=O)OC ZINC000449272551 388165777 /nfs/dbraw/zinc/16/57/77/388165777.db2.gz VINRDSYBGGUPIW-PRHODGIISA-N 0 3 242.319 0.585 20 0 BCADHN OC[C@@H]1CC[C@H](CNC2CSC2)O1 ZINC000646216863 388167136 /nfs/dbraw/zinc/16/71/36/388167136.db2.gz KGERNLKOZOHIOA-BDAKNGLRSA-N 0 3 203.307 0.231 20 0 BCADHN CC1(C(=O)N[C@@H](CO)CN2CCCC2)CC1 ZINC000646222338 388168266 /nfs/dbraw/zinc/16/82/66/388168266.db2.gz RNXWZFXCWMVZMG-SNVBAGLBSA-N 0 3 226.320 0.359 20 0 BCADHN C[C@@H](C[C@@H]1CCOC1)NC(=O)C1(N)CCC1 ZINC000646228519 388168436 /nfs/dbraw/zinc/16/84/36/388168436.db2.gz BLIHYKBEEMBSDQ-UWVGGRQHSA-N 0 3 226.320 0.799 20 0 BCADHN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)[C@H](C)N ZINC000646227259 388168534 /nfs/dbraw/zinc/16/85/34/388168534.db2.gz LUAUBMFPNIZDQA-KWQFWETISA-N 0 3 236.319 0.739 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000646228536 388168598 /nfs/dbraw/zinc/16/85/98/388168598.db2.gz BYSXXISUCUVNTQ-MXWKQRLJSA-N 0 3 228.336 0.901 20 0 BCADHN C[C@@H](NC(=O)NCCN(C)C)C(C)(F)F ZINC000455792537 388169188 /nfs/dbraw/zinc/16/91/88/388169188.db2.gz PQNMYEHHIMVIRX-SSDOTTSWSA-N 0 3 223.267 0.891 20 0 BCADHN CC(C)NC(=O)NCCN1C[C@@H](O)CC[C@@H]1C ZINC000645929056 388169881 /nfs/dbraw/zinc/16/98/81/388169881.db2.gz ILWXQZBYBNPCIF-QWRGUYRKSA-N 0 3 243.351 0.539 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1C[C@@H](O)C1(C)C)N(C)C ZINC000250125824 388170019 /nfs/dbraw/zinc/17/00/19/388170019.db2.gz WFJUXJIDMYXJCK-OPRDCNLKSA-N 0 3 228.336 0.602 20 0 BCADHN [NH3+]CCOCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000646266951 388173998 /nfs/dbraw/zinc/17/39/98/388173998.db2.gz DHCZZDWCRXCRHL-UHFFFAOYSA-N 0 3 244.678 0.959 20 0 BCADHN COc1nccc(CNC[C@H](CO)C2CC2)n1 ZINC000449339289 388176232 /nfs/dbraw/zinc/17/62/32/388176232.db2.gz UEIZYNKQINAVOE-SNVBAGLBSA-N 0 3 237.303 0.593 20 0 BCADHN CC(C)N(C)CC(=O)N(C)[C@H](C)C(C)(C)O ZINC000456091598 388176634 /nfs/dbraw/zinc/17/66/34/388176634.db2.gz IFNWKTJXJFVSKO-SNVBAGLBSA-N 0 3 230.352 0.944 20 0 BCADHN CCCN(C)CC(=O)N[C@H](C)CC(C)(C)O ZINC000456095936 388177179 /nfs/dbraw/zinc/17/71/79/388177179.db2.gz MPOJBSYXAOAAGQ-SNVBAGLBSA-N 0 3 230.352 0.994 20 0 BCADHN CSC[C@@](C)(O)CNCc1cnn(C)c1 ZINC000164249905 388177341 /nfs/dbraw/zinc/17/73/41/388177341.db2.gz YHLZARLAMNGFCH-JTQLQIEISA-N 0 3 229.349 0.624 20 0 BCADHN CCOC(=O)CN1CCN(C2CC2)C[C@@H](C)C1 ZINC000449347996 388178076 /nfs/dbraw/zinc/17/80/76/388178076.db2.gz SJOIYFPVMJNQTI-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CCN(CC)CC(=O)N(C)[C@H](C)C(C)(C)O ZINC000456110518 388178318 /nfs/dbraw/zinc/17/83/18/388178318.db2.gz WSMCZVBPZRIFPU-SNVBAGLBSA-N 0 3 230.352 0.946 20 0 BCADHN C[C@@H]1C[C@H]1CN1CCN(CCO)[C@H](C)C1 ZINC000488516945 388184043 /nfs/dbraw/zinc/18/40/43/388184043.db2.gz QVAGWKJCBHIDKT-UTUOFQBUSA-N 0 3 212.337 0.641 20 0 BCADHN CO[C@@H]1CN(CC2=CCCOC2)C[C@H]1OC ZINC000488530216 388184939 /nfs/dbraw/zinc/18/49/39/388184939.db2.gz JZSDVQZGINDESJ-VXGBXAGGSA-N 0 3 227.304 0.679 20 0 BCADHN C[C@H](O)CN1CCN(C[C@@H]2C[C@H]2C)CC1 ZINC000488537893 388185486 /nfs/dbraw/zinc/18/54/86/388185486.db2.gz BNGQJPUDRMJJDJ-WOPDTQHZSA-N 0 3 212.337 0.641 20 0 BCADHN C[C@H]1C[C@H]1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454424047 388117559 /nfs/dbraw/zinc/11/75/59/388117559.db2.gz DSJZJPXBIQZLAL-UKKRHICBSA-N 0 3 223.320 0.740 20 0 BCADHN CN(CCN1CCCC1)C(=O)CC1(O)CCC1 ZINC000448903893 388119498 /nfs/dbraw/zinc/11/94/98/388119498.db2.gz KPYYSUDRTWRHAG-UHFFFAOYSA-N 0 3 240.347 0.846 20 0 BCADHN CC[C@H](COC)NC(=O)NC[C@H](C)N(C)C ZINC000454537811 388122409 /nfs/dbraw/zinc/12/24/09/388122409.db2.gz FWINIVMGWRVYRO-VHSXEESVSA-N 0 3 231.340 0.661 20 0 BCADHN CCCCN(C)CCNC(=O)C1CC(C)(O)C1 ZINC000448962455 388123670 /nfs/dbraw/zinc/12/36/70/388123670.db2.gz QXUNKLRBOWNNIB-UHFFFAOYSA-N 0 3 242.363 0.996 20 0 BCADHN CCS(=O)(=O)C[C@H](C)NCCCOC ZINC000162214106 388125569 /nfs/dbraw/zinc/12/55/69/388125569.db2.gz HUIJSDVFNBRLES-VIFPVBQESA-N 0 3 223.338 0.436 20 0 BCADHN COc1nccnc1CN1CCCN(C)CC1 ZINC000448995174 388125922 /nfs/dbraw/zinc/12/59/22/388125922.db2.gz PMUWGECWYLIXBX-UHFFFAOYSA-N 0 3 236.319 0.623 20 0 BCADHN CN(CCNC(=O)NC(CF)CF)C1CC1 ZINC000454635271 388126856 /nfs/dbraw/zinc/12/68/56/388126856.db2.gz DRBJSZRNCXRKKU-UHFFFAOYSA-N 0 3 235.278 0.687 20 0 BCADHN COC1(C)CCN(C[C@H]2CN(C)C(=O)O2)CC1 ZINC000497129439 256516321 /nfs/dbraw/zinc/51/63/21/256516321.db2.gz KMWRLPGOQIFWOT-SNVBAGLBSA-N 0 3 242.319 0.938 20 0 BCADHN CN(CCNC(=O)N1CC[C@@H](F)C1)C1CC1 ZINC000454652754 388128273 /nfs/dbraw/zinc/12/82/73/388128273.db2.gz WNRGMRDUTJPULB-SECBINFHSA-N 0 3 229.299 0.834 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCCCCOC ZINC000162225864 388128730 /nfs/dbraw/zinc/12/87/30/388128730.db2.gz OKMHWSCDTYFRMR-SNVBAGLBSA-N 0 3 237.365 0.826 20 0 BCADHN Cn1cccc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000171585826 388129754 /nfs/dbraw/zinc/12/97/54/388129754.db2.gz DRCOTESRKRZAMT-LLVKDONJSA-N 0 3 233.315 0.945 20 0 BCADHN CC(=O)NCCN(C)CCC[C@H]1CCOC1 ZINC000646047565 388132357 /nfs/dbraw/zinc/13/23/57/388132357.db2.gz VKTIPENCEAQTFD-LBPRGKRZSA-N 0 3 228.336 0.871 20 0 BCADHN C[C@@H](CNC(=O)NCC[C@@H]1CCOC1)N(C)C ZINC000454776923 388134154 /nfs/dbraw/zinc/13/41/54/388134154.db2.gz JNOGRKJJHKSUSJ-WDEREUQCSA-N 0 3 243.351 0.662 20 0 BCADHN C[C@@H](CNC(=O)NCC[C@H]1CCOC1)N(C)C ZINC000454776922 388134186 /nfs/dbraw/zinc/13/41/86/388134186.db2.gz JNOGRKJJHKSUSJ-QWRGUYRKSA-N 0 3 243.351 0.662 20 0 BCADHN CCN1CCC(NC(=O)C2(OC)CC2)CC1 ZINC000648718977 388134538 /nfs/dbraw/zinc/13/45/38/388134538.db2.gz ONHJDGBGQMNTLY-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CCN(C(=O)C(C)S(C)(=O)=O)C1CC1 ZINC000171918211 388134989 /nfs/dbraw/zinc/13/49/89/388134989.db2.gz PVVALYJVWMEACC-SSDOTTSWSA-N 0 3 219.306 0.430 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)NCC(C)(C)O ZINC000162252006 388136522 /nfs/dbraw/zinc/13/65/22/388136522.db2.gz JGDFGSJZXNUGFD-MRVPVSSYSA-N 0 3 223.338 0.170 20 0 BCADHN CC(C)OC(=O)CCNC(=O)[C@H](C)NC1CC1 ZINC000449087838 388140749 /nfs/dbraw/zinc/14/07/49/388140749.db2.gz XBJWRPHHQGOJEK-VIFPVBQESA-N 0 3 242.319 0.585 20 0 BCADHN CO[C@H](CNC(=O)NC[C@H](C)N(C)C)C1CC1 ZINC000455074339 388148142 /nfs/dbraw/zinc/14/81/42/388148142.db2.gz VPDZVFNCSMYKAF-GXSJLCMTSA-N 0 3 243.351 0.661 20 0 BCADHN COC(=O)[C@H](NC(=O)[C@@H](C)NC1CC1)C1CC1 ZINC000449143843 388148549 /nfs/dbraw/zinc/14/85/49/388148549.db2.gz XVFPMFICKJLLLA-GMSGAONNSA-N 0 3 240.303 0.195 20 0 BCADHN CCOC(=O)[C@@H](C)CNC(=O)[C@@H](C)NC1CC1 ZINC000449149253 388149389 /nfs/dbraw/zinc/14/93/89/388149389.db2.gz MXSMFFZOHFUWDS-DTWKUNHWSA-N 0 3 242.319 0.442 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1NCC1(C)C)C[C@H](C)O ZINC000646129152 388150395 /nfs/dbraw/zinc/15/03/95/388150395.db2.gz XMNZWGWHORWMPG-KXUCPTDWSA-N 0 3 228.336 0.508 20 0 BCADHN CCCN[C@H](C)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000449165984 388151929 /nfs/dbraw/zinc/15/19/29/388151929.db2.gz YQYKPIRENWXQTG-NXEZZACHSA-N 0 3 243.351 0.261 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CCOC[C@H]1C1CC1 ZINC000449166481 388151989 /nfs/dbraw/zinc/15/19/89/388151989.db2.gz DCPUDZULGCEEJZ-SKDRFNHKSA-N 0 3 238.331 0.764 20 0 BCADHN CNCC(=O)N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000646135903 388152084 /nfs/dbraw/zinc/15/20/84/388152084.db2.gz CMEOJIJRVPLLMO-RNFRBKRXSA-N 0 3 240.225 0.384 20 0 BCADHN CCC[C@@H](NC(=O)[C@H](C)NC1CC1)C(=O)OC ZINC000449173545 388152539 /nfs/dbraw/zinc/15/25/39/388152539.db2.gz NXXKJELYMRKOHT-WCBMZHEXSA-N 0 3 242.319 0.585 20 0 BCADHN C[C@@H](CF)NC(=O)C1CCN(C)CC1 ZINC000490715082 388249211 /nfs/dbraw/zinc/24/92/11/388249211.db2.gz WCZIITITZMBHEE-QMMMGPOBSA-N 0 3 202.273 0.802 20 0 BCADHN CCN(CC)CC(=O)N[C@@H]1CNCCC1(F)F ZINC000449662889 388250577 /nfs/dbraw/zinc/25/05/77/388250577.db2.gz HJYFRPICNJUEFT-SECBINFHSA-N 0 3 249.305 0.442 20 0 BCADHN CC(C)n1cc2c(n1)C[C@H](NC(=O)CN)CC2 ZINC000490738877 388250889 /nfs/dbraw/zinc/25/08/89/388250889.db2.gz GCVSNZFMWUFGQJ-SNVBAGLBSA-N 0 3 236.319 0.396 20 0 BCADHN CC[C@H](N)C(=O)Nc1nnc2ccccn21 ZINC000165405262 388252151 /nfs/dbraw/zinc/25/21/51/388252151.db2.gz GRORLLZPMWQVOV-ZETCQYMHSA-N 0 3 219.248 0.405 20 0 BCADHN COC(=O)[C@H](CNC(=O)C(C)(C)N)CC(C)C ZINC000490876172 388258128 /nfs/dbraw/zinc/25/81/28/388258128.db2.gz PFEKIAJTZFLMKL-VIFPVBQESA-N 0 3 244.335 0.675 20 0 BCADHN COCCN1CCCN(C[C@H]2C[C@@H]2C)CC1=O ZINC000488571561 388188840 /nfs/dbraw/zinc/18/88/40/388188840.db2.gz GDMZCQYVRWGEQU-NWDGAFQWSA-N 0 3 240.347 0.823 20 0 BCADHN CC[C@H]1CCN1C(=O)NCCN(C)CCOC ZINC000488654887 388191176 /nfs/dbraw/zinc/19/11/76/388191176.db2.gz KNFNXUKZPUDTLO-NSHDSACASA-N 0 3 243.351 0.759 20 0 BCADHN CCCCCNC(=O)CN1CC[C@H](CO)[C@H]1C ZINC000488723160 388191842 /nfs/dbraw/zinc/19/18/42/388191842.db2.gz WEIQHXOIDCWJCM-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN C[C@H](CN1CC[C@H](CO)[C@@H]1C)CS(C)(=O)=O ZINC000488746559 388192562 /nfs/dbraw/zinc/19/25/62/388192562.db2.gz NFRCUGFIWRBEJE-OUAUKWLOSA-N 0 3 249.376 0.370 20 0 BCADHN CC(C)[C@@H]1C[C@H]1CNC(=O)C(C)S(C)(=O)=O ZINC000456321119 388194671 /nfs/dbraw/zinc/19/46/71/388194671.db2.gz CVDBMRIAYUEDJY-GUBZILKMSA-N 0 3 247.360 0.828 20 0 BCADHN O[C@@H]1COCCN(Cc2cccc3c[nH]nc32)C1 ZINC000449415878 388199079 /nfs/dbraw/zinc/19/90/79/388199079.db2.gz QZCZUKKAAFYVMV-LBPRGKRZSA-N 0 3 247.298 0.756 20 0 BCADHN CCC[C@@H](C(=O)N[C@@H](C)CC(=O)NC)N(C)C ZINC000456500650 388205092 /nfs/dbraw/zinc/20/50/92/388205092.db2.gz HXEQNEQKCRKKTE-UWVGGRQHSA-N 0 3 243.351 0.358 20 0 BCADHN O[C@@H](CN1CC[C@@](O)(C2CC2)C1)C(F)(F)F ZINC000489258379 388207100 /nfs/dbraw/zinc/20/71/00/388207100.db2.gz QPPSQHJWXWUVPR-IUCAKERBSA-N 0 3 239.237 0.756 20 0 BCADHN CC[C@@H](O)[C@@H](CC)NC(=O)CN(C)C(C)C ZINC000456569373 388208879 /nfs/dbraw/zinc/20/88/79/388208879.db2.gz BBMGPQWJPQYQQA-GHMZBOCLSA-N 0 3 230.352 0.992 20 0 BCADHN CN(C)S(=O)(=O)CCCN(C)[C@@H]1CC1(C)C ZINC000489433194 388213127 /nfs/dbraw/zinc/21/31/27/388213127.db2.gz UZKKUPDBOSSSMY-SNVBAGLBSA-N 0 3 248.392 0.998 20 0 BCADHN COCCN(C[C@@H](O)COC)[C@@H]1CCO[C@@H]1C ZINC000489465709 388216075 /nfs/dbraw/zinc/21/60/75/388216075.db2.gz OFMNXKXRMQGATA-IJLUTSLNSA-N 0 3 247.335 0.120 20 0 BCADHN CCN1C[C@@H](N[C@H](C)Cn2cccn2)CC1=O ZINC000449515770 388221693 /nfs/dbraw/zinc/22/16/93/388221693.db2.gz BFYXWJNBQHKULH-MNOVXSKESA-N 0 3 236.319 0.482 20 0 BCADHN C[C@@H](N)C(=O)N1CCOC[C@H]1Cc1ccccc1 ZINC000489857927 388225743 /nfs/dbraw/zinc/22/57/43/388225743.db2.gz XWAMXGWWCOIEJN-DGCLKSJQSA-N 0 3 248.326 0.804 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000489859082 388226413 /nfs/dbraw/zinc/22/64/13/388226413.db2.gz LLSLASBIVIJYTA-BDAKNGLRSA-N 0 3 222.292 0.121 20 0 BCADHN CCN(CC)C[C@@H]1CCS(=O)(=O)C1 ZINC000336662016 388259702 /nfs/dbraw/zinc/25/97/02/388259702.db2.gz VWAHFYSABDOSIM-VIFPVBQESA-N 0 3 205.323 0.763 20 0 BCADHN COCC(COC)NCCC(C)(C)C(=O)OC ZINC000449546811 388229203 /nfs/dbraw/zinc/22/92/03/388229203.db2.gz WMGVVDZEWYKHNZ-UHFFFAOYSA-N 0 3 247.335 0.827 20 0 BCADHN CC[C@H](C(=O)NC[C@@H](O)C1CCC1)N(C)C ZINC000456871429 388229675 /nfs/dbraw/zinc/22/96/75/388229675.db2.gz RABRXIKEAZLANN-GHMZBOCLSA-N 0 3 228.336 0.604 20 0 BCADHN CC(C)c1noc(CCCNC(=O)CN)n1 ZINC000490022193 388231681 /nfs/dbraw/zinc/23/16/81/388231681.db2.gz ASOKIZZZQYSUHW-UHFFFAOYSA-N 0 3 226.280 0.201 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H](C)COCC(F)(F)F ZINC000490205353 388236586 /nfs/dbraw/zinc/23/65/86/388236586.db2.gz TWXXETMSLSIISQ-BQBZGAKWSA-N 0 3 242.241 0.807 20 0 BCADHN CC[C@H](C(=O)N1C[C@H](C)C[C@@H](O)C1)N(C)C ZINC000457004392 388237043 /nfs/dbraw/zinc/23/70/43/388237043.db2.gz OYAZYOKEUMKTRR-GMTAPVOTSA-N 0 3 228.336 0.556 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2ccncn2)CCCN1C ZINC000490257871 388237162 /nfs/dbraw/zinc/23/71/62/388237162.db2.gz XWCRVXRTKXYVTO-UWVGGRQHSA-N 0 3 234.303 0.689 20 0 BCADHN CCC[C@H](C(=O)N1C[C@@H](C)C[C@H](O)C1)N(C)C ZINC000457014013 388237348 /nfs/dbraw/zinc/23/73/48/388237348.db2.gz WDYULRIRCYFTPY-SDDRHHMPSA-N 0 3 242.363 0.946 20 0 BCADHN COCCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000490472876 388239299 /nfs/dbraw/zinc/23/92/99/388239299.db2.gz XJWFFDZWNUQPMV-LLVKDONJSA-N 0 3 226.320 0.766 20 0 BCADHN CC(C)(CNC(=O)CN)Oc1ccccc1 ZINC000490623518 388243796 /nfs/dbraw/zinc/24/37/96/388243796.db2.gz FUPPOWCCLXSJDU-UHFFFAOYSA-N 0 3 222.288 0.919 20 0 BCADHN C[C@@H](O)CN1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000459450076 388244258 /nfs/dbraw/zinc/24/42/58/388244258.db2.gz YBROCKCYEDNREJ-KKOKHZNYSA-N 0 3 229.320 0.636 20 0 BCADHN Cn1nccc1/C=C\C(=O)N1CCCN(C)CC1 ZINC000490636721 388245260 /nfs/dbraw/zinc/24/52/60/388245260.db2.gz DBNCPHYSTZWGLZ-PLNGDYQASA-N 0 3 248.330 0.597 20 0 BCADHN OCCOCCN1CCSC[C@@H]1C1CC1 ZINC000451649360 388287786 /nfs/dbraw/zinc/28/77/86/388287786.db2.gz RSIQAKXRLDSYRJ-LLVKDONJSA-N 0 3 231.361 0.823 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)C1CCOCC1 ZINC000492047878 388331740 /nfs/dbraw/zinc/33/17/40/388331740.db2.gz ZIXQICYKKDMNNT-PLNGDYQASA-N 0 3 226.320 0.742 20 0 BCADHN CCNC(=O)CN1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451715526 388291646 /nfs/dbraw/zinc/29/16/46/388291646.db2.gz TZOGNHHNPWSNDR-GRYCIOLGSA-N 0 3 240.347 0.605 20 0 BCADHN CC[C@H]1CN(CC)CCN1CC(=O)OC ZINC000451725650 388291994 /nfs/dbraw/zinc/29/19/94/388291994.db2.gz NQBVFKMNRRPMJQ-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CO[C@@H](C)CNC(=O)/C=C/CN(C)C ZINC000492020253 388331777 /nfs/dbraw/zinc/33/17/77/388331777.db2.gz PYLIKYFLECOHPL-CYNONHLPSA-N 0 3 200.282 0.255 20 0 BCADHN CCC[C@@H](OC)C(=O)N[C@@H](C)CN(C)C ZINC000451759503 388294066 /nfs/dbraw/zinc/29/40/66/388294066.db2.gz LAQGZJJTKQEFBS-VHSXEESVSA-N 0 3 216.325 0.868 20 0 BCADHN CC(=O)[C@](C)(O)CN[C@@H]1COCC1(C)C ZINC000451808951 388298041 /nfs/dbraw/zinc/29/80/41/388298041.db2.gz HVKHOKYBBAPAMV-MWLCHTKSSA-N 0 3 215.293 0.341 20 0 BCADHN CCN(C)C(=O)[C@@H](C)NC(=O)/C=C\CN(C)C ZINC000492029394 388332186 /nfs/dbraw/zinc/33/21/86/388332186.db2.gz DPOJZOXTEGYNQA-GQYWMQPJSA-N 0 3 241.335 0.087 20 0 BCADHN CN1CCC(NC(=O)/C=C/c2cnccn2)CC1 ZINC000492044664 388332506 /nfs/dbraw/zinc/33/25/06/388332506.db2.gz SQWXHNJICJHYDP-NSCUHMNNSA-N 0 3 246.314 0.700 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)CCCCO ZINC000492052222 388332831 /nfs/dbraw/zinc/33/28/31/388332831.db2.gz YOJSEOKDQLMPGK-SREVYHEPSA-N 0 3 214.309 0.335 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)Cc1cnccn1 ZINC000491841579 388324494 /nfs/dbraw/zinc/32/44/94/388324494.db2.gz CINAYTPUZHIYJY-PLNGDYQASA-N 0 3 234.303 0.553 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)CC(F)F ZINC000491842684 388324600 /nfs/dbraw/zinc/32/46/00/388324600.db2.gz FJWRDGRVRDERMR-SNAWJCMRSA-N 0 3 206.236 0.828 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C\CN(C)C)CC[S@]1=O ZINC000491854291 388324954 /nfs/dbraw/zinc/32/49/54/388324954.db2.gz XRDXPYGFTJXMPF-VWHWVPMYSA-N 0 3 244.360 0.084 20 0 BCADHN COC(=O)[C@H](NC(=O)/C=C\CN(C)C)C(C)C ZINC000491865227 388325272 /nfs/dbraw/zinc/32/52/72/388325272.db2.gz HOVGDPDXHAMCJA-JMEBYUIHSA-N 0 3 242.319 0.418 20 0 BCADHN COc1ccc(CNC(=O)/C=C\CN(C)C)cn1 ZINC000491866831 388325382 /nfs/dbraw/zinc/32/53/82/388325382.db2.gz JTPKAQDPWGJQON-PLNGDYQASA-N 0 3 249.314 0.824 20 0 BCADHN CC[C@](C)(NC(=O)/C=C\CN(C)C)C(=O)OC ZINC000491872133 388325512 /nfs/dbraw/zinc/32/55/12/388325512.db2.gz QWPAKSHVEOTCJL-KRZKBDHCSA-N 0 3 242.319 0.562 20 0 BCADHN CN(C)C/C=C\C(=O)NCCn1cccn1 ZINC000491871466 388325632 /nfs/dbraw/zinc/32/56/32/388325632.db2.gz QJJMCBCHZKLSHK-HYXAFXHYSA-N 0 3 222.292 0.117 20 0 BCADHN CN(C)CC=CC(=O)NCc1ncc[nH]1 ZINC000491873847 388325812 /nfs/dbraw/zinc/32/58/12/388325812.db2.gz UXPFOZDOMDXJPE-ARJAWSKDSA-N 0 3 208.265 0.144 20 0 BCADHN C[C@@H]1C[C@H](O)CN1C(=O)/C=C/CN(C)C ZINC000492052694 388333088 /nfs/dbraw/zinc/33/30/88/388333088.db2.gz ZSRCVBVTUPBVFU-CFUOYWMPSA-N 0 3 212.293 0.086 20 0 BCADHN CN(C)C/C=C/C(=O)Nc1cccc(C(N)=O)c1 ZINC000491887625 388326358 /nfs/dbraw/zinc/32/63/58/388326358.db2.gz AGWYCBDUOHCLMG-QPJJXVBHSA-N 0 3 247.298 0.842 20 0 BCADHN CN(C)C/C=C/C(=O)NCC1(O)CCC1 ZINC000492058132 388333116 /nfs/dbraw/zinc/33/31/16/388333116.db2.gz NQFVMIQQQVNJRB-HWKANZROSA-N 0 3 212.293 0.135 20 0 BCADHN CN(C)C/C=C/C(=O)NCc1nccn1C ZINC000491907138 388327060 /nfs/dbraw/zinc/32/70/60/388327060.db2.gz RJMPGKAHXJAIGS-SNAWJCMRSA-N 0 3 222.292 0.154 20 0 BCADHN CC[C@@](C)(O)CNC(=O)/C=C\CN(C)C ZINC000491943920 388328783 /nfs/dbraw/zinc/32/87/83/388328783.db2.gz YRVJQVUZLQCUOL-JMEBYUIHSA-N 0 3 214.309 0.381 20 0 BCADHN C[C@@H]1CCN(C(=O)/C=C\CN(C)C)[C@H]1CO ZINC000491962385 388329777 /nfs/dbraw/zinc/32/97/77/388329777.db2.gz JSBRMZZRBGIYSW-KWKBKKAHSA-N 0 3 226.320 0.334 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)[C@H]1CC[C@H](O)CC1 ZINC000491964513 388329791 /nfs/dbraw/zinc/32/97/91/388329791.db2.gz OZGGCGVFPHZVLK-HMVSXZRPSA-N 0 3 240.347 0.866 20 0 BCADHN Cn1cc(CN[C@H]2C[C@H](O)C2(C)C)cn1 ZINC000163349799 388262364 /nfs/dbraw/zinc/26/23/64/388262364.db2.gz VENMILCRKWVAGP-UWVGGRQHSA-N 0 3 209.293 0.669 20 0 BCADHN Cn1cc(CN[C@@H]2C[C@H](O)C2(C)C)cn1 ZINC000163349678 388262564 /nfs/dbraw/zinc/26/25/64/388262564.db2.gz VENMILCRKWVAGP-ZJUUUORDSA-N 0 3 209.293 0.669 20 0 BCADHN CCOCCN1CC[C@](COC)(C(=O)OC)C1 ZINC000451330574 388263024 /nfs/dbraw/zinc/26/30/24/388263024.db2.gz PWWJCKGEIVJEGJ-LBPRGKRZSA-N 0 3 245.319 0.534 20 0 BCADHN COC(=O)[C@@H](C)N(C)C(=O)/C=C\CN(C)C ZINC000491988696 388330837 /nfs/dbraw/zinc/33/08/37/388330837.db2.gz DTIDOTDXZKIKRL-ATJFRQLMSA-N 0 3 228.292 0.124 20 0 BCADHN C[C@@]12CN(CC(=O)NC(N)=O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368150 388266172 /nfs/dbraw/zinc/26/61/72/388266172.db2.gz KWOISPDIBRIHQK-QYTUQVAYSA-N 0 3 249.314 0.325 20 0 BCADHN CC(C)([NH3+])CC(=O)Nc1ccncc1[O-] ZINC000645952749 388267205 /nfs/dbraw/zinc/26/72/05/388267205.db2.gz NZOLDLQGARBBHH-UHFFFAOYSA-N 0 3 209.249 0.275 20 0 BCADHN Cc1noc(C2CCC(NC(=O)CN)CC2)n1 ZINC000491072008 388267860 /nfs/dbraw/zinc/26/78/60/388267860.db2.gz YRGRFZXLFZDQLH-UHFFFAOYSA-N 0 3 238.291 0.479 20 0 BCADHN CC(C)[C@@H](O)CN1CC[C@@](O)(C(F)F)C1 ZINC000451440656 388274067 /nfs/dbraw/zinc/27/40/67/388274067.db2.gz XIOWUVZKWPEJLK-WPRPVWTQSA-N 0 3 223.263 0.705 20 0 BCADHN CC[C@H](N)C(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000491175978 388274940 /nfs/dbraw/zinc/27/49/40/388274940.db2.gz ZXOKBBGNMJAPGR-GARJFASQSA-N 0 3 228.336 0.901 20 0 BCADHN C[C@@H]1CN(CCN2CCC[C@@H](O)[C@H]2C)CCO1 ZINC000451449915 388275031 /nfs/dbraw/zinc/27/50/31/388275031.db2.gz CQOZYPOQNCGLIP-JHJVBQTASA-N 0 3 242.363 0.552 20 0 BCADHN CC(C)O[C@@H]1C[C@@H](NCC(N)=O)C1(C)C ZINC000451511902 388278335 /nfs/dbraw/zinc/27/83/35/388278335.db2.gz ZRKMCVFGUGNVPY-RKDXNWHRSA-N 0 3 214.309 0.653 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000492309120 388341277 /nfs/dbraw/zinc/34/12/77/388341277.db2.gz BIGSNSBAJURLRS-CWBMUHOVSA-N 0 3 238.331 0.788 20 0 BCADHN COC[C@](C)(CCO)NC(=O)/C=C\CN(C)C ZINC000492391473 388343203 /nfs/dbraw/zinc/34/32/03/388343203.db2.gz AYUNRCITNGYTJY-FJOGCWAESA-N 0 3 244.335 0.008 20 0 BCADHN CCc1ccnc(CNC(=O)[C@H](C)N)c1 ZINC000514674255 256686729 /nfs/dbraw/zinc/68/67/29/256686729.db2.gz UEUFPNHPTFVATN-QMMMGPOBSA-N 0 3 207.277 0.607 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCC=CO1 ZINC000275789336 388345631 /nfs/dbraw/zinc/34/56/31/388345631.db2.gz IUUIGDBPWDGNPF-JTQLQIEISA-N 0 3 208.265 0.597 20 0 BCADHN CO[C@H](C)CNCc1cnc(N(C)C)nc1 ZINC000276129071 388347659 /nfs/dbraw/zinc/34/76/59/388347659.db2.gz AHNIDDDIJQTOFY-SECBINFHSA-N 0 3 224.308 0.667 20 0 BCADHN CC(C)[C@@H](O)Cn1cc([C@@H](N)C(C)C)nn1 ZINC000300891313 388348207 /nfs/dbraw/zinc/34/82/07/388348207.db2.gz ONWHMIJAJHXFIF-QWRGUYRKSA-N 0 3 226.324 0.951 20 0 BCADHN Cc1cc(C)cc(CN2CC[C@](O)(C(N)=O)C2)c1 ZINC000276489705 388350069 /nfs/dbraw/zinc/35/00/69/388350069.db2.gz UZRYGLNRFGLPAT-CQSZACIVSA-N 0 3 248.326 0.726 20 0 BCADHN CC(C)Cc1ncc(CNC[C@H](O)CO)s1 ZINC000276756185 388351049 /nfs/dbraw/zinc/35/10/49/388351049.db2.gz MLUOMJGRNSOXQA-VIFPVBQESA-N 0 3 244.360 0.784 20 0 BCADHN COCC(C)(C)NC(=O)NC1CCN(C)CC1 ZINC000162455939 388352434 /nfs/dbraw/zinc/35/24/34/388352434.db2.gz RMTGMWDVYOKPEX-UHFFFAOYSA-N 0 3 243.351 0.805 20 0 BCADHN CCO[C@@H]1C[C@@](N)(C(=O)NC)C1(C)C ZINC000162516576 388353246 /nfs/dbraw/zinc/35/32/46/388353246.db2.gz DIICLAHGGONEFY-GMSGAONNSA-N 0 3 200.282 0.265 20 0 BCADHN C=Cn1cc(CNCCC(=O)NC)cn1 ZINC000234406565 388355387 /nfs/dbraw/zinc/35/53/87/388355387.db2.gz UZSFYADDSKRNAN-UHFFFAOYSA-N 0 3 208.265 0.209 20 0 BCADHN COC[C@@H](C)NC(=O)[C@@H]1NCCCC1(C)C ZINC000234672748 388358603 /nfs/dbraw/zinc/35/86/03/388358603.db2.gz NGLOZPDGHVUXGG-ZJUUUORDSA-N 0 3 228.336 0.916 20 0 BCADHN CCC(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000646449494 388360219 /nfs/dbraw/zinc/36/02/19/388360219.db2.gz NURJUJZHDQPVFU-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN CC(C)C(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000646450055 388360329 /nfs/dbraw/zinc/36/03/29/388360329.db2.gz STLLIPWBCDHOQT-NEPJUHHUSA-N 0 3 240.347 0.964 20 0 BCADHN CC(C)[C@@H]([NH3+])C(=O)NCc1ncccc1[O-] ZINC000646452201 388360735 /nfs/dbraw/zinc/36/07/35/388360735.db2.gz YRYWYRLDRVAOFJ-SNVBAGLBSA-N 0 3 223.276 0.387 20 0 BCADHN C[C@H]1CNCCN1C(=O)c1ccc(CN)o1 ZINC000646657676 388405074 /nfs/dbraw/zinc/40/50/74/388405074.db2.gz MATUJABJBZTMMX-QMMMGPOBSA-N 0 3 223.276 0.172 20 0 BCADHN [NH3+]C1(CC(=O)NCc2ncccc2[O-])CCC1 ZINC000646452132 388361145 /nfs/dbraw/zinc/36/11/45/388361145.db2.gz WXJMAHUROKDWQE-UHFFFAOYSA-N 0 3 235.287 0.675 20 0 BCADHN Cc1c(NC(=O)[C@@H]2NCC2(C)C)cnn1C ZINC000646466872 388361725 /nfs/dbraw/zinc/36/17/25/388361725.db2.gz GSBCQJPCAQTBHH-VIFPVBQESA-N 0 3 222.292 0.665 20 0 BCADHN CC(C)(C)C[C@H](O)CNC(=O)[C@@H]1NCC1(C)C ZINC000646463933 388362133 /nfs/dbraw/zinc/36/21/33/388362133.db2.gz LXCORRUBSBOABK-UWVGGRQHSA-N 0 3 242.363 0.898 20 0 BCADHN COC[C@@H](CO)NCc1cccc(F)c1 ZINC000234872530 388362448 /nfs/dbraw/zinc/36/24/48/388362448.db2.gz PRWXJUXCCWRVHB-LLVKDONJSA-N 0 3 213.252 0.923 20 0 BCADHN CCCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000572636336 388363011 /nfs/dbraw/zinc/36/30/11/388363011.db2.gz FQRKBEOSSOVCEV-LBPRGKRZSA-N 0 3 226.320 0.359 20 0 BCADHN CC[C@H](C)[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000572648298 388363151 /nfs/dbraw/zinc/36/31/51/388363151.db2.gz XCPMNGSPYXHGQJ-USZNOCQGSA-N 0 3 242.363 0.802 20 0 BCADHN CC[C@@H](c1ccncc1)N(C)C(=O)CN ZINC000572644450 388363324 /nfs/dbraw/zinc/36/33/24/388363324.db2.gz CDINNEXXAKGZMT-JTQLQIEISA-N 0 3 207.277 0.950 20 0 BCADHN C[C@H](CO)NC(=O)[C@H](C)N1CCCCCC1 ZINC000305141703 388365513 /nfs/dbraw/zinc/36/55/13/388365513.db2.gz HZGUJWAJIXATEU-MNOVXSKESA-N 0 3 228.336 0.748 20 0 BCADHN C[C@H]1CCCN(CC(=O)NC2CC2)[C@@H]1CO ZINC000305168202 388367070 /nfs/dbraw/zinc/36/70/70/388367070.db2.gz INMPZZJOMLXBAK-GXSJLCMTSA-N 0 3 226.320 0.358 20 0 BCADHN CCCN(C)CC(=O)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000646659691 388405318 /nfs/dbraw/zinc/40/53/18/388405318.db2.gz QMPITWKIDKCYOH-URLYPYJESA-N 0 3 226.320 0.025 20 0 BCADHN CN(C[C@@H](O)CSc1nccn1C)C1CC1 ZINC000290545760 388368635 /nfs/dbraw/zinc/36/86/35/388368635.db2.gz FLRVOYSFPJPTJI-SNVBAGLBSA-N 0 3 241.360 0.967 20 0 BCADHN CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000290881398 388371155 /nfs/dbraw/zinc/37/11/55/388371155.db2.gz DVRCACMZVSPYJP-MRVPVSSYSA-N 0 3 225.296 0.263 20 0 BCADHN CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000290881398 388371156 /nfs/dbraw/zinc/37/11/56/388371156.db2.gz DVRCACMZVSPYJP-MRVPVSSYSA-N 0 3 225.296 0.263 20 0 BCADHN CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000290881398 388371158 /nfs/dbraw/zinc/37/11/58/388371158.db2.gz DVRCACMZVSPYJP-MRVPVSSYSA-N 0 3 225.296 0.263 20 0 BCADHN CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000290881398 388371161 /nfs/dbraw/zinc/37/11/61/388371161.db2.gz DVRCACMZVSPYJP-MRVPVSSYSA-N 0 3 225.296 0.263 20 0 BCADHN CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000290881398 388371163 /nfs/dbraw/zinc/37/11/63/388371163.db2.gz DVRCACMZVSPYJP-MRVPVSSYSA-N 0 3 225.296 0.263 20 0 BCADHN CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000290881398 388371165 /nfs/dbraw/zinc/37/11/65/388371165.db2.gz DVRCACMZVSPYJP-MRVPVSSYSA-N 0 3 225.296 0.263 20 0 BCADHN CC(C)OC(=O)CCN1CC[C@H](CO)[C@@H](O)C1 ZINC000572747173 388371968 /nfs/dbraw/zinc/37/19/68/388371968.db2.gz XMCYZMGYPPSQQY-MNOVXSKESA-N 0 3 245.319 0.003 20 0 BCADHN Cn1cncc1CNC[C@H]1CC[C@@H](O)C1 ZINC000236087025 388377355 /nfs/dbraw/zinc/37/73/55/388377355.db2.gz FKGINDCLAKCBEO-GXSJLCMTSA-N 0 3 209.293 0.671 20 0 BCADHN Cn1cncc1CNC[C@@H]1CC[C@@H](O)C1 ZINC000236086907 388377589 /nfs/dbraw/zinc/37/75/89/388377589.db2.gz FKGINDCLAKCBEO-MWLCHTKSSA-N 0 3 209.293 0.671 20 0 BCADHN COc1nccc(CNC[C@@H](C)CCCO)n1 ZINC000294893568 388405767 /nfs/dbraw/zinc/40/57/67/388405767.db2.gz WQONUUILCOKVCN-JTQLQIEISA-N 0 3 239.319 0.983 20 0 BCADHN CC[C@@H](C(=O)NC[C@@](C)(O)CC)N(C)C ZINC000165564149 388405814 /nfs/dbraw/zinc/40/58/14/388405814.db2.gz FGOKLXFDCSKQSW-ONGXEEELSA-N 0 3 216.325 0.604 20 0 BCADHN O[C@H](CN[C@@H]1CCC[C@H]1O)C(F)(F)F ZINC000236545360 388380615 /nfs/dbraw/zinc/38/06/15/388380615.db2.gz XTAHSQWXPQUDMP-FSDSQADBSA-N 0 3 213.199 0.413 20 0 BCADHN CCCC[C@H](N)C(=O)N1CCN[C@@H](C)C1 ZINC000236764195 388382334 /nfs/dbraw/zinc/38/23/34/388382334.db2.gz ZHTJUDNPMLIVDL-UWVGGRQHSA-N 0 3 213.325 0.324 20 0 BCADHN CCCC[C@H](N)C(=O)N(C)C[C@@H]1CCOC1 ZINC000236757885 388382590 /nfs/dbraw/zinc/38/25/90/388382590.db2.gz DMMLFCBNYXNCCM-QWRGUYRKSA-N 0 3 228.336 0.999 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCOC1 ZINC000236713355 388382820 /nfs/dbraw/zinc/38/28/20/388382820.db2.gz NJUOAHCSUQLZBR-UWVGGRQHSA-N 0 3 214.309 0.465 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000261536000 135170417 /nfs/dbraw/zinc/17/04/17/135170417.db2.gz QANDSPFKZRNAMH-GUBZILKMSA-N 0 3 214.309 0.655 20 0 BCADHN COCCN(C)CCCNC(=O)C(C)(C)CO ZINC000572897168 388383269 /nfs/dbraw/zinc/38/32/69/388383269.db2.gz FDKKOWQUSQYWDC-UHFFFAOYSA-N 0 3 246.351 0.089 20 0 BCADHN CC(C)(N)C(=O)Nc1ccn(CC(F)F)n1 ZINC000236809009 388383335 /nfs/dbraw/zinc/38/33/35/388383335.db2.gz RDQJTQOIPBSWDQ-UHFFFAOYSA-N 0 3 232.234 0.824 20 0 BCADHN CCC[C@H](N)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000236810938 388383447 /nfs/dbraw/zinc/38/34/47/388383447.db2.gz WSPZONLSPASNBE-UTLUCORTSA-N 0 3 213.325 0.323 20 0 BCADHN O=C(C[C@@H]1CCC[NH2+]1)NCc1ncccc1[O-] ZINC000519772701 256659814 /nfs/dbraw/zinc/65/98/14/256659814.db2.gz RRHKJRIKBPTANE-VIFPVBQESA-N 0 3 235.287 0.546 20 0 BCADHN CCCC[C@H](N)C(=O)Nc1cccn(C)c1=O ZINC000236849666 388384716 /nfs/dbraw/zinc/38/47/16/388384716.db2.gz YDGFSUJVDWLBDG-VIFPVBQESA-N 0 3 237.303 0.841 20 0 BCADHN CC[C@H](N)C(=O)NC[C@H](O)C(C)(C)C ZINC000236910176 388385492 /nfs/dbraw/zinc/38/54/92/388385492.db2.gz WPUYJXXLPYVMNX-YUMQZZPRSA-N 0 3 202.298 0.247 20 0 BCADHN CO[C@@H](CNCc1ccnn1C)C1CC1 ZINC000293031472 388385995 /nfs/dbraw/zinc/38/59/95/388385995.db2.gz PUDRZACDXNJODW-NSHDSACASA-N 0 3 209.293 0.935 20 0 BCADHN COC[C@H](O)CNCc1cnn(CC(F)F)c1 ZINC000293044309 388386712 /nfs/dbraw/zinc/38/67/12/388386712.db2.gz ROCNUAZHENHCDM-SECBINFHSA-N 0 3 249.261 0.245 20 0 BCADHN CCN(Cc1cccc(NC(=O)CN)c1)C(C)=O ZINC000236944732 388386878 /nfs/dbraw/zinc/38/68/78/388386878.db2.gz GBMNKNPTXHNPCG-UHFFFAOYSA-N 0 3 249.314 0.952 20 0 BCADHN CCOC(=O)[C@@H](NC(=O)[C@@H](N)CC)[C@H](C)CC ZINC000236952863 388387401 /nfs/dbraw/zinc/38/74/01/388387401.db2.gz YISGLSMEHFIWLZ-UTLUCORTSA-N 0 3 244.335 0.818 20 0 BCADHN CCc1ncc(NC(=O)[C@@H](N)CC)cn1 ZINC000236958419 388387708 /nfs/dbraw/zinc/38/77/08/388387708.db2.gz MQUKSPQLSWYUEC-QMMMGPOBSA-N 0 3 208.265 0.715 20 0 BCADHN COC(C)(C)CNC(=O)CNC[C@@H]1CCCO1 ZINC000237129237 388390042 /nfs/dbraw/zinc/39/00/42/388390042.db2.gz AVCLSSNGANWZED-JTQLQIEISA-N 0 3 244.335 0.296 20 0 BCADHN CC(C)[C@](C)(O)CNCc1cncnc1 ZINC000171842469 388406274 /nfs/dbraw/zinc/40/62/74/388406274.db2.gz MVOAKIPSBFERRI-LLVKDONJSA-N 0 3 209.293 0.973 20 0 BCADHN CNCC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C ZINC000237265982 388391731 /nfs/dbraw/zinc/39/17/31/388391731.db2.gz GNTIQIQGHOIWJM-VHSXEESVSA-N 0 3 241.335 0.112 20 0 BCADHN CN(C[C@@H]1CCOC1)C(=O)[C@@H]1CCCCN1 ZINC000237231183 388392140 /nfs/dbraw/zinc/39/21/40/388392140.db2.gz YVJJCQDXAMMPAR-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN O=C(c1cnn2c1CCC2)N1CCCNCC1 ZINC000646595369 388392465 /nfs/dbraw/zinc/39/24/65/388392465.db2.gz QVNOWURLZJSNJK-UHFFFAOYSA-N 0 3 234.303 0.265 20 0 BCADHN CN(C(=O)CN)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000237285903 388392689 /nfs/dbraw/zinc/39/26/89/388392689.db2.gz PWPZMDWFXDIRFT-QNSHHTMESA-N 0 3 212.293 0.217 20 0 BCADHN C[C@@H]1COCCN1C(=O)CNC[C@@H]1CCCO1 ZINC000237461203 388392962 /nfs/dbraw/zinc/39/29/62/388392962.db2.gz SILZTCJYSCSNQW-MNOVXSKESA-N 0 3 242.319 0.002 20 0 BCADHN CNCC(=O)NC[C@H](N)c1ccccc1OC ZINC000646600712 388393561 /nfs/dbraw/zinc/39/35/61/388393561.db2.gz OFIFLPYDFOLQPE-JTQLQIEISA-N 0 3 237.303 0.031 20 0 BCADHN C[C@H](CNC(=O)C(C)(C)N)Cn1cccn1 ZINC000237375800 388394113 /nfs/dbraw/zinc/39/41/13/388394113.db2.gz UUQHKLZEQRDBSD-SECBINFHSA-N 0 3 224.308 0.373 20 0 BCADHN C[C@@]1(C(=O)NCc2ccc(=O)[nH]c2)CCCCN1 ZINC000237508488 388395674 /nfs/dbraw/zinc/39/56/74/388395674.db2.gz RZOGXWWXWTXEPS-ZDUSSCGKSA-N 0 3 249.314 0.936 20 0 BCADHN CSCCCNC(=O)CNC[C@H]1CCCO1 ZINC000237501651 388395765 /nfs/dbraw/zinc/39/57/65/388395765.db2.gz WIBUIBLUXGTYSN-SNVBAGLBSA-N 0 3 246.376 0.624 20 0 BCADHN COCC[C@@H](CO)NCc1c(C)noc1C ZINC000300831466 388397016 /nfs/dbraw/zinc/39/70/16/388397016.db2.gz IHSQJTPYKCTBLY-JTQLQIEISA-N 0 3 228.292 0.778 20 0 BCADHN [NH3+]CCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000237881837 388399442 /nfs/dbraw/zinc/39/94/42/388399442.db2.gz DYCPFTGEBYRTCG-UHFFFAOYSA-N 0 3 223.158 0.111 20 0 BCADHN [NH3+]CCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000237881837 388399446 /nfs/dbraw/zinc/39/94/46/388399446.db2.gz DYCPFTGEBYRTCG-UHFFFAOYSA-N 0 3 223.158 0.111 20 0 BCADHN C[C@@H]1CC[C@H](C)CN1CC(=O)N1CCOCC1 ZINC000174472170 388400126 /nfs/dbraw/zinc/40/01/26/388400126.db2.gz HALJJJJIPAGVGG-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN O=C(/C=C/C1CCOCC1)N1CCCNCC1 ZINC000238101221 388400336 /nfs/dbraw/zinc/40/03/36/388400336.db2.gz CVHZTDWLUDDCHS-NSCUHMNNSA-N 0 3 238.331 0.791 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)C(N)C(F)(F)F ZINC000261531324 135159686 /nfs/dbraw/zinc/15/96/86/135159686.db2.gz GCNGUSVVBRPKRU-SRQIZXRXSA-N 0 3 210.199 0.648 20 0 BCADHN CN(C)C/C=C\C(=O)NCc1ccn(C)c1 ZINC000492083985 388333981 /nfs/dbraw/zinc/33/39/81/388333981.db2.gz MDRYXZHQGYTAHW-PLNGDYQASA-N 0 3 221.304 0.759 20 0 BCADHN CC[C@@H](O)CCCNC(=O)/C=C/CN(C)C ZINC000492091660 388334536 /nfs/dbraw/zinc/33/45/36/388334536.db2.gz ZQQCHEKQFQLJQV-LXSSAFMLSA-N 0 3 228.336 0.772 20 0 BCADHN CN(C)C/C=C\C(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000492129450 388335962 /nfs/dbraw/zinc/33/59/62/388335962.db2.gz HMAZQDZGJSOVLS-JYESYGNLSA-N 0 3 241.335 0.120 20 0 BCADHN COC(=O)C(C)(C)CNC(=O)/C=C\CN(C)C ZINC000492134400 388336170 /nfs/dbraw/zinc/33/61/70/388336170.db2.gz DFVNSMZNQDZKJJ-SREVYHEPSA-N 0 3 242.319 0.420 20 0 BCADHN Cc1ccn(C)c(=O)c1NC(=O)/C=C/CN(C)C ZINC000492147261 388336645 /nfs/dbraw/zinc/33/66/45/388336645.db2.gz ZQZVARQYAHCHFG-AATRIKPKSA-N 0 3 249.314 0.750 20 0 BCADHN CN(C)C/C=C/C(=O)N(C)CC(C)(C)O ZINC000492165955 388336994 /nfs/dbraw/zinc/33/69/94/388336994.db2.gz VHNJJISCXVSDMS-VOTSOKGWSA-N 0 3 214.309 0.334 20 0 BCADHN CSC[C@H](O)CN1CCN(C)[C@H](C)[C@@H]1C ZINC000492192607 388337881 /nfs/dbraw/zinc/33/78/81/388337881.db2.gz HVYPGFRHYFJGKX-OUAUKWLOSA-N 0 3 232.393 0.735 20 0 BCADHN C[C@H](O)C[C@@H]1CCCN1C(=O)/C=C\CN(C)C ZINC000492207974 388338134 /nfs/dbraw/zinc/33/81/34/388338134.db2.gz LREBPOOCPJXNFZ-RAUBUVQISA-N 0 3 240.347 0.866 20 0 BCADHN CN(C)C/C=C\C(=O)N(C)CC1(O)CCCC1 ZINC000492206800 388338220 /nfs/dbraw/zinc/33/82/20/388338220.db2.gz GUCNPVYQKJAGLH-SREVYHEPSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@H](O)C[C@H]1CCCN1C(=O)/C=C/CN(C)C ZINC000492207973 388338233 /nfs/dbraw/zinc/33/82/33/388338233.db2.gz LREBPOOCPJXNFZ-GAEWNOSXSA-N 0 3 240.347 0.866 20 0 BCADHN CN(C)C/C=C/C(=O)N1CC[C@H](CCO)C1 ZINC000492246020 388339131 /nfs/dbraw/zinc/33/91/31/388339131.db2.gz CGTHUCXRSZSRRV-PGLGOXFNSA-N 0 3 226.320 0.335 20 0 BCADHN CCN(C)CCNC(=O)N(C)C(C)C ZINC000175782009 388440457 /nfs/dbraw/zinc/44/04/57/388440457.db2.gz HSRZJDBUNIEMHM-UHFFFAOYSA-N 0 3 201.314 0.988 20 0 BCADHN CCOC(=O)CNC(C)(C)CN(C)C ZINC000308576954 388443585 /nfs/dbraw/zinc/44/35/85/388443585.db2.gz JRCBCPQZCXYQLF-UHFFFAOYSA-N 0 3 202.298 0.479 20 0 BCADHN C[C@H]1CCCN(CC(=O)N2CCNC2=O)[C@H]1C ZINC000246546031 388444502 /nfs/dbraw/zinc/44/45/02/388444502.db2.gz CXHOOPUZDQQQCB-UWVGGRQHSA-N 0 3 239.319 0.659 20 0 BCADHN CN(C)CC(C)(C)NCC(=O)N1CCCC1 ZINC000308632614 388445610 /nfs/dbraw/zinc/44/56/10/388445610.db2.gz RKNQJCXEWLCZKE-UHFFFAOYSA-N 0 3 227.352 0.539 20 0 BCADHN C[C@H](C(=O)NC(N)=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000246796166 388446064 /nfs/dbraw/zinc/44/60/64/388446064.db2.gz SNFLGYNUIIJWAG-KXUCPTDWSA-N 0 3 241.335 0.938 20 0 BCADHN CC(C)CNC(=O)CNC(C)(C)CN(C)C ZINC000308631841 388446275 /nfs/dbraw/zinc/44/62/75/388446275.db2.gz NWRUCDKEYHMOBR-UHFFFAOYSA-N 0 3 229.368 0.688 20 0 BCADHN CC(C)(C)NC(=O)CN1CC[C@@H](O)C1(C)C ZINC000335624538 388452753 /nfs/dbraw/zinc/45/27/53/388452753.db2.gz IAMWHIVPZGUWMO-SECBINFHSA-N 0 3 228.336 0.746 20 0 BCADHN Cc1cnccc1CCN1CC[C@@H](O)C1 ZINC000335664408 388453935 /nfs/dbraw/zinc/45/39/35/388453935.db2.gz VMUDSTJOCJSMLU-GFCCVEGCSA-N 0 3 206.289 0.999 20 0 BCADHN C[C@H](C(=O)N1CCNC(C)(C)C1)n1cccn1 ZINC000336067947 388456428 /nfs/dbraw/zinc/45/64/28/388456428.db2.gz UVOFRJPCIQLLQC-SNVBAGLBSA-N 0 3 236.319 0.655 20 0 BCADHN C[C@H](C(=O)N(C)C)N1C[C@H](O)C(C)(C)C1 ZINC000336250875 388456755 /nfs/dbraw/zinc/45/67/55/388456755.db2.gz SEZDOCNODYXAFQ-BDAKNGLRSA-N 0 3 214.309 0.166 20 0 BCADHN CO[C@H]1CCN(C[C@H](O)CSC)C1 ZINC000336655152 388459246 /nfs/dbraw/zinc/45/92/46/388459246.db2.gz OLHJDGHKPPBBTM-IUCAKERBSA-N 0 3 205.323 0.431 20 0 BCADHN C[C@H](O)CN1CCC(F)(F)[C@H](CO)C1 ZINC000339207060 388481130 /nfs/dbraw/zinc/48/11/30/388481130.db2.gz BBLRTOAHTBELDN-YUMQZZPRSA-N 0 3 209.236 0.317 20 0 BCADHN COC[C@H](C)N(C)C(=O)[C@H](N)CC(F)F ZINC000336658906 388460178 /nfs/dbraw/zinc/46/01/78/388460178.db2.gz BHTDYVAFLFOLBT-NKWVEPMBSA-N 0 3 224.251 0.462 20 0 BCADHN CCN1CCC[C@@H]1CNc1ccncc1C(N)=O ZINC000649223570 388461826 /nfs/dbraw/zinc/46/18/26/388461826.db2.gz JJGFUVBYAFWXDR-SNVBAGLBSA-N 0 3 248.330 0.499 20 0 BCADHN CCC[C@H](O)CNC(=O)[C@@H](N)CC(F)F ZINC000336676552 388462356 /nfs/dbraw/zinc/46/23/56/388462356.db2.gz HSDDRBOXOSQOMO-BQBZGAKWSA-N 0 3 224.251 0.246 20 0 BCADHN Cc1cn[nH]c1CNCC1(S(C)(=O)=O)CC1 ZINC000336695097 388463531 /nfs/dbraw/zinc/46/35/31/388463531.db2.gz LPPDSDJMMPSEBD-UHFFFAOYSA-N 0 3 243.332 0.385 20 0 BCADHN Cc1cn[nH]c1CNCC(=O)NCC1CC1 ZINC000336702706 388465231 /nfs/dbraw/zinc/46/52/31/388465231.db2.gz OGQGPUFHRGTQCG-UHFFFAOYSA-N 0 3 222.292 0.334 20 0 BCADHN Cc1cn[nH]c1CN[C@H](CO)[C@H]1CCCO1 ZINC000336710170 388466772 /nfs/dbraw/zinc/46/67/72/388466772.db2.gz ROCUAMGKVVAWNN-GHMZBOCLSA-N 0 3 225.292 0.348 20 0 BCADHN CNC(=O)[C@@H](NC[C@H]1CC[C@@H](C)O1)C(C)C ZINC000309961780 388469649 /nfs/dbraw/zinc/46/96/49/388469649.db2.gz LPNYPMQTVWAYBE-MXWKQRLJSA-N 0 3 228.336 0.914 20 0 BCADHN CCOC[C@H](O)CN1CCN(C2CCC2)CC1 ZINC000336893697 388472111 /nfs/dbraw/zinc/47/21/11/388472111.db2.gz LCTMRYOZKHEYKB-CYBMUJFWSA-N 0 3 242.363 0.554 20 0 BCADHN Cc1ccnc(CNC(=O)NCCN(C)C)c1 ZINC000242734313 388472359 /nfs/dbraw/zinc/47/23/59/388472359.db2.gz DDOHGRYLUBJVOP-UHFFFAOYSA-N 0 3 236.319 0.751 20 0 BCADHN CC[N@H+](CCCOC(=O)N=C(N)[O-])C1CC1 ZINC000177254072 388478501 /nfs/dbraw/zinc/47/85/01/388478501.db2.gz GKIHRETTYZGUFT-UHFFFAOYSA-N 0 3 229.280 0.666 20 0 BCADHN CC[N@@H+](CCCOC(=O)N=C(N)[O-])C1CC1 ZINC000177254072 388478504 /nfs/dbraw/zinc/47/85/04/388478504.db2.gz GKIHRETTYZGUFT-UHFFFAOYSA-N 0 3 229.280 0.666 20 0 BCADHN CC[N@H+](CCCOC([O-])=NC(N)=O)C1CC1 ZINC000177254072 388478508 /nfs/dbraw/zinc/47/85/08/388478508.db2.gz GKIHRETTYZGUFT-UHFFFAOYSA-N 0 3 229.280 0.666 20 0 BCADHN CC[N@@H+](CCCOC([O-])=NC(N)=O)C1CC1 ZINC000177254072 388478509 /nfs/dbraw/zinc/47/85/09/388478509.db2.gz GKIHRETTYZGUFT-UHFFFAOYSA-N 0 3 229.280 0.666 20 0 BCADHN CO[C@H](C)C(=O)NCCN1CC[C@H](C)C1 ZINC000524774568 388409271 /nfs/dbraw/zinc/40/92/71/388409271.db2.gz OZINCIZFZRUWDU-VHSXEESVSA-N 0 3 214.309 0.479 20 0 BCADHN CNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)C[C@H](C)C1 ZINC000069148058 388412634 /nfs/dbraw/zinc/41/26/34/388412634.db2.gz UPWABXVJWZVSMG-GUBZILKMSA-N 0 3 241.335 0.808 20 0 BCADHN CC[C@H](CCO)CNCc1ccnc(OC)n1 ZINC000295892181 388415689 /nfs/dbraw/zinc/41/56/89/388415689.db2.gz YMYBINJOAXQRCY-SNVBAGLBSA-N 0 3 239.319 0.983 20 0 BCADHN C[C@@H]1[C@H](O)CCCN1CCn1cccn1 ZINC000296165491 388418131 /nfs/dbraw/zinc/41/81/31/388418131.db2.gz KTNHBALQOCDYNC-GHMZBOCLSA-N 0 3 209.293 0.728 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000513304348 388421786 /nfs/dbraw/zinc/42/17/86/388421786.db2.gz XGFMHEVVIOBBEC-SDDRHHMPSA-N 0 3 242.363 0.944 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCN(C)CC2)[C@H]1C ZINC000245535974 388421913 /nfs/dbraw/zinc/42/19/13/388421913.db2.gz LBMSABPWOQZGLO-RYUDHWBXSA-N 0 3 239.363 0.491 20 0 BCADHN CCC[C@H](C)[C@H](CO)NCC(=O)N1CCC1 ZINC000573124421 388422124 /nfs/dbraw/zinc/42/21/24/388422124.db2.gz ZUVKFMJLZNZJLM-QWRGUYRKSA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000513299523 388422336 /nfs/dbraw/zinc/42/23/36/388422336.db2.gz XBYYDQZBWUFGMT-QJPTWQEYSA-N 0 3 242.363 0.802 20 0 BCADHN CC(C)[C@@H](O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000513304345 388422356 /nfs/dbraw/zinc/42/23/56/388422356.db2.gz XGFMHEVVIOBBEC-GRYCIOLGSA-N 0 3 242.363 0.944 20 0 BCADHN CC[C@@H](C)[N@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000177276455 388479892 /nfs/dbraw/zinc/47/98/92/388479892.db2.gz QAJDXDJTTVUBNT-MRVPVSSYSA-N 0 3 231.296 0.912 20 0 BCADHN CC[C@@H](C)[N@@H+](C)CCCOC(=O)N=C(N)[O-] ZINC000177276455 388479895 /nfs/dbraw/zinc/47/98/95/388479895.db2.gz QAJDXDJTTVUBNT-MRVPVSSYSA-N 0 3 231.296 0.912 20 0 BCADHN CC[C@@H](C)[N@H+](C)CCCOC([O-])=NC(N)=O ZINC000177276455 388479897 /nfs/dbraw/zinc/47/98/97/388479897.db2.gz QAJDXDJTTVUBNT-MRVPVSSYSA-N 0 3 231.296 0.912 20 0 BCADHN CC[C@@H](C)[N@@H+](C)CCCOC([O-])=NC(N)=O ZINC000177276455 388479900 /nfs/dbraw/zinc/47/99/00/388479900.db2.gz QAJDXDJTTVUBNT-MRVPVSSYSA-N 0 3 231.296 0.912 20 0 BCADHN CC(C)[C@H]1CN(CC[C@H]2CCNC2=O)CCO1 ZINC000573263346 388436821 /nfs/dbraw/zinc/43/68/21/388436821.db2.gz WJKOMTVJTWFKGO-VXGBXAGGSA-N 0 3 240.347 0.869 20 0 BCADHN CCN1CC[C@@H](N(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000246067609 388437123 /nfs/dbraw/zinc/43/71/23/388437123.db2.gz DTHOKIFORDUTLQ-VHSXEESVSA-N 0 3 234.365 0.608 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@@H]2CCN(C)C2=O)C12CCC2 ZINC000308395955 388438061 /nfs/dbraw/zinc/43/80/61/388438061.db2.gz PHAKHYFMQPLBTO-GMTAPVOTSA-N 0 3 238.331 0.764 20 0 BCADHN O=C(CN[C@@H](CO)C1CCCC1)N1CCCC1 ZINC000352703728 388537138 /nfs/dbraw/zinc/53/71/38/388537138.db2.gz CEINZAAPARMFJE-LBPRGKRZSA-N 0 3 240.347 0.750 20 0 BCADHN Cc1cnn(C)c1CNCCCn1ccnn1 ZINC000352742066 388537792 /nfs/dbraw/zinc/53/77/92/388537792.db2.gz LKQNGXYCVKBKQT-UHFFFAOYSA-N 0 3 234.307 0.500 20 0 BCADHN Cc1cnccc1CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000528516223 388539249 /nfs/dbraw/zinc/53/92/49/388539249.db2.gz DWHBJIBCENMPKM-PHIMTYICSA-N 0 3 245.282 0.094 20 0 BCADHN CSCC[C@H](N)C(=O)N(C)C[C@@H]1CCOC1 ZINC000353214159 388541486 /nfs/dbraw/zinc/54/14/86/388541486.db2.gz QXSGFDOJJCVVOA-UWVGGRQHSA-N 0 3 246.376 0.562 20 0 BCADHN Cc1cnccc1CN1CCC[C@@](O)(CO)C1 ZINC000528525130 388542963 /nfs/dbraw/zinc/54/29/63/388542963.db2.gz YDSRSDXHOMFJSL-ZDUSSCGKSA-N 0 3 236.315 0.709 20 0 BCADHN CC[C@H](COC)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000353847835 388543994 /nfs/dbraw/zinc/54/39/94/388543994.db2.gz ULSYHQYHUCWVBK-OPRDCNLKSA-N 0 3 235.349 0.577 20 0 BCADHN O[C@@H](CN1CC[C@@]2(O)C[C@H]2C1)CC1(O)CCC1 ZINC000528551694 388545978 /nfs/dbraw/zinc/54/59/78/388545978.db2.gz JBTWGDSWKWJVIE-DMDPSCGWSA-N 0 3 241.331 0.109 20 0 BCADHN Cc1nocc1CNCCOCCN(C)C ZINC000339353890 388482324 /nfs/dbraw/zinc/48/23/24/388482324.db2.gz BXLQQRZWZCVBKV-UHFFFAOYSA-N 0 3 227.308 0.651 20 0 BCADHN Cc1nocc1CNC[C@@]1(O)CCOC1 ZINC000339326504 388482706 /nfs/dbraw/zinc/48/27/06/388482706.db2.gz ZUZOEAPPMYTGBP-JTQLQIEISA-N 0 3 212.249 0.224 20 0 BCADHN Cc1nocc1CNCCCn1ccnn1 ZINC000339346010 388482825 /nfs/dbraw/zinc/48/28/25/388482825.db2.gz KHBQPXUESRHYCC-UHFFFAOYSA-N 0 3 221.264 0.754 20 0 BCADHN COCCC1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000528575272 388548364 /nfs/dbraw/zinc/54/83/64/388548364.db2.gz XAMQIUZBURIKGA-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN Cc1nccc(C(=O)N(C)C2CCN(C)CC2)n1 ZINC000194273789 388484512 /nfs/dbraw/zinc/48/45/12/388484512.db2.gz RTKRSJXALKXHQT-UHFFFAOYSA-N 0 3 248.330 0.951 20 0 BCADHN Cn1cncc1CN1CCC[C@H](O)CC1 ZINC000339778822 388486032 /nfs/dbraw/zinc/48/60/32/388486032.db2.gz HHJPOJMXIYRZFB-NSHDSACASA-N 0 3 209.293 0.767 20 0 BCADHN C/C=C/C=C\C(=O)NCC1(O)CCN(C)CC1 ZINC000397633751 388486026 /nfs/dbraw/zinc/48/60/26/388486026.db2.gz OOFGRBODXIIKLA-ICWBMWKASA-N 0 3 238.331 0.692 20 0 BCADHN CCN(CC)C(=O)CN1CCC[C@H](O)CC1 ZINC000339778573 388486121 /nfs/dbraw/zinc/48/61/21/388486121.db2.gz DQIMVCMERSRVHQ-NSHDSACASA-N 0 3 228.336 0.702 20 0 BCADHN COC1(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)CC1 ZINC000648911789 388488690 /nfs/dbraw/zinc/48/86/90/388488690.db2.gz SGRKAYMSDGXOQO-UWVGGRQHSA-N 0 3 224.304 0.328 20 0 BCADHN CN(C[C@@H]1CCCCO1)[C@H]1COC[C@@H]1O ZINC000340282153 388489025 /nfs/dbraw/zinc/48/90/25/388489025.db2.gz QVXYXTHLZVFBGY-DCAQKATOSA-N 0 3 215.293 0.247 20 0 BCADHN CN(C[C@@H]1CCCCO1)[C@H]1COC[C@H]1O ZINC000340282155 388489111 /nfs/dbraw/zinc/48/91/11/388489111.db2.gz QVXYXTHLZVFBGY-GARJFASQSA-N 0 3 215.293 0.247 20 0 BCADHN C[C@@H](CN[C@@H]1CCOC1(C)C)S(C)(=O)=O ZINC000340310687 388490199 /nfs/dbraw/zinc/49/01/99/388490199.db2.gz RPBQGMHGURYZOF-DTWKUNHWSA-N 0 3 235.349 0.577 20 0 BCADHN CO[C@@H](CN[C@H](C)CS(C)(=O)=O)C1CC1 ZINC000340494761 388492032 /nfs/dbraw/zinc/49/20/32/388492032.db2.gz YOQRXCUTVOXTAQ-SCZZXKLOSA-N 0 3 235.349 0.434 20 0 BCADHN Cc1c[nH]cc(C(=O)N[C@@H](CN)C2CC2)c1=O ZINC000516568530 256792845 /nfs/dbraw/zinc/79/28/45/256792845.db2.gz JVLVRVRLZKWMDZ-JTQLQIEISA-N 0 3 235.287 0.150 20 0 BCADHN CO[C@H](CNC1COCCOC1)C1CC1 ZINC000378745235 388494730 /nfs/dbraw/zinc/49/47/30/388494730.db2.gz LGMRJLVHMYRMBX-LLVKDONJSA-N 0 3 215.293 0.416 20 0 BCADHN CC[C@H]1CN(CCOCCOC)C[C@H]1O ZINC000341045403 388495054 /nfs/dbraw/zinc/49/50/54/388495054.db2.gz LIWDVIFLNLSWRM-WDEREUQCSA-N 0 3 217.309 0.352 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H]1CCCOC1)N(C)C ZINC000178095844 388496589 /nfs/dbraw/zinc/49/65/89/388496589.db2.gz BJNPPXUQNSKGHG-QWRGUYRKSA-N 0 3 228.336 0.869 20 0 BCADHN COC[C@H](O)CNCc1cnccc1C ZINC000135461802 388497577 /nfs/dbraw/zinc/49/75/77/388497577.db2.gz AWBURANTMZKMQE-LLVKDONJSA-N 0 3 210.277 0.487 20 0 BCADHN CCC[C@@H]1CNCCN1c1nccn2nnnc12 ZINC000516635785 388497608 /nfs/dbraw/zinc/49/76/08/388497608.db2.gz LSMCQFWHWHWPRD-SECBINFHSA-N 0 3 247.306 0.098 20 0 BCADHN Cc1noc(CCCN2C[C@H](O)C3(CC3)C2)n1 ZINC000547971104 388499407 /nfs/dbraw/zinc/49/94/07/388499407.db2.gz NTRDLKPXLVXHAU-JTQLQIEISA-N 0 3 237.303 0.767 20 0 BCADHN CN1CCN(CC(N)=O)CC12CCCCC2 ZINC000517387753 388549063 /nfs/dbraw/zinc/54/90/63/388549063.db2.gz NORLVJKDWLNRAU-UHFFFAOYSA-N 0 3 225.336 0.422 20 0 BCADHN CC1(CO)CCN(CCN2CCNC2=O)CC1 ZINC000343695824 388502392 /nfs/dbraw/zinc/50/23/92/388502392.db2.gz QUHYTBUHHVSTIW-UHFFFAOYSA-N 0 3 241.335 0.106 20 0 BCADHN COC(=O)[C@@](C)(O)CN1CCS[C@@H](C)CC1 ZINC000343914326 388503632 /nfs/dbraw/zinc/50/36/32/388503632.db2.gz FIGCYPVLTLNPOK-ONGXEEELSA-N 0 3 247.360 0.738 20 0 BCADHN CCCCN(C)[C@H](C)C(=O)NCC(=O)OC ZINC000078606063 388507156 /nfs/dbraw/zinc/50/71/56/388507156.db2.gz NMPPMZHQMVOPJF-SECBINFHSA-N 0 3 230.308 0.396 20 0 BCADHN C[NH+](C)C1(CNC(=O)c2cncc([O-])c2)CC1 ZINC000397873965 388507916 /nfs/dbraw/zinc/50/79/16/388507916.db2.gz UVCQAVZPARONOY-UHFFFAOYSA-N 0 3 235.287 0.611 20 0 BCADHN C[C@@H]1C[C@H](C)N1C[C@H](O)Cn1cccn1 ZINC000548096784 388510440 /nfs/dbraw/zinc/51/04/40/388510440.db2.gz VPKRZFSRPJPVIU-OUAUKWLOSA-N 0 3 209.293 0.727 20 0 BCADHN CCCCOCCN(C)CC(C)(CO)CO ZINC000135857313 388511573 /nfs/dbraw/zinc/51/15/73/388511573.db2.gz SCRMAUQLXPUCDJ-UHFFFAOYSA-N 0 3 233.352 0.726 20 0 BCADHN C[C@@H](CCO)CN[C@@H]1CCn2ccnc21 ZINC000345342036 388511617 /nfs/dbraw/zinc/51/16/17/388511617.db2.gz FNSALXWALIZTDE-VHSXEESVSA-N 0 3 209.293 0.936 20 0 BCADHN CO[C@@H](CNC(=O)[C@H](N)CC(F)F)C(C)C ZINC000345689160 388514534 /nfs/dbraw/zinc/51/45/34/388514534.db2.gz JKTPLFNHBLMSRM-SFYZADRCSA-N 0 3 238.278 0.756 20 0 BCADHN CO[C@H](CNC(=O)[C@H](N)CC(F)F)C(C)C ZINC000345689116 388514932 /nfs/dbraw/zinc/51/49/32/388514932.db2.gz JKTPLFNHBLMSRM-HTQZYQBOSA-N 0 3 238.278 0.756 20 0 BCADHN CN(C[C@@H](O)CC1(O)CCC1)[C@@H]1CCOC1 ZINC000528379685 388517945 /nfs/dbraw/zinc/51/79/45/388517945.db2.gz MNAIBWXIBBRKNJ-MNOVXSKESA-N 0 3 229.320 0.373 20 0 BCADHN O=C(OCC(F)(F)F)N1CCCNCC1 ZINC000087305118 388517989 /nfs/dbraw/zinc/51/79/89/388517989.db2.gz ISINMIXRVIJNIY-UHFFFAOYSA-N 0 3 226.198 0.981 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)CCCO ZINC000087360206 388518952 /nfs/dbraw/zinc/51/89/52/388518952.db2.gz IYNBWKNRNPSADW-BBBLOLIVSA-N 0 3 216.325 0.637 20 0 BCADHN COC[C@H](O)CN[C@@H](C)c1cncnc1C ZINC000520837803 256814227 /nfs/dbraw/zinc/81/42/27/256814227.db2.gz HWJIKWBRAXCQQE-WCBMZHEXSA-N 0 3 225.292 0.443 20 0 BCADHN C[C@H]1COCCCN1C[C@@H](O)CC1(O)CCC1 ZINC000528423700 388522803 /nfs/dbraw/zinc/52/28/03/388522803.db2.gz JTUFIVOMDVVZPB-RYUDHWBXSA-N 0 3 243.347 0.763 20 0 BCADHN CC(C)N1CCC(NC(=O)C2CC(=O)C2)CC1 ZINC000136157443 388524502 /nfs/dbraw/zinc/52/45/02/388524502.db2.gz VNLJQDVIRXUUAE-UHFFFAOYSA-N 0 3 238.331 0.955 20 0 BCADHN O[C@H](CN1CC=CCC1)CC1(O)CCC1 ZINC000528439356 388526703 /nfs/dbraw/zinc/52/67/03/388526703.db2.gz MUPRHDFJWBBCPU-NSHDSACASA-N 0 3 211.305 0.914 20 0 BCADHN Cc1ccnc(CN2C[C@@H](CO)[C@H](CO)C2)c1 ZINC000528599736 388550113 /nfs/dbraw/zinc/55/01/13/388550113.db2.gz TUPRKOGRPDBVRG-RYUDHWBXSA-N 0 3 236.315 0.423 20 0 BCADHN COCCOCCN1CCC[C@H](OC)C1 ZINC000079412531 388533644 /nfs/dbraw/zinc/53/36/44/388533644.db2.gz ARVAVQKMTFLUSN-NSHDSACASA-N 0 3 217.309 0.760 20 0 BCADHN CC[C@@H](O)CN1CCC[C@]12CCNC2=O ZINC000517038602 388534682 /nfs/dbraw/zinc/53/46/82/388534682.db2.gz HZEJPKJAPAYCRO-MWLCHTKSSA-N 0 3 212.293 0.112 20 0 BCADHN NC(=O)CCN[C@H](CO)c1ccsc1 ZINC000516291066 256773461 /nfs/dbraw/zinc/77/34/61/256773461.db2.gz HPJDXLPPVWDPOT-MRVPVSSYSA-N 0 3 214.290 0.247 20 0 BCADHN O=C([C@@H]1CNCc2ccccc21)N1CCNCC1 ZINC000082796473 388587766 /nfs/dbraw/zinc/58/77/66/388587766.db2.gz SHHZAOHMHCHEEB-CYBMUJFWSA-N 0 3 245.326 0.305 20 0 BCADHN CN1CCC(C(=O)NCC23CC(C2)CO3)CC1 ZINC000529877116 388596152 /nfs/dbraw/zinc/59/61/52/388596152.db2.gz QMEALWBNZKYIHV-UHFFFAOYSA-N 0 3 238.331 0.623 20 0 BCADHN CO[C@H]1CCCC[C@@H]1N[C@H](C)CS(C)(=O)=O ZINC000081902305 388598991 /nfs/dbraw/zinc/59/89/91/388598991.db2.gz SGEDTKAWLWDLLL-VWYCJHECSA-N 0 3 249.376 0.967 20 0 BCADHN CC1(OCC(=O)Nc2ccc[nH]c2=O)CNC1 ZINC000649314125 388602335 /nfs/dbraw/zinc/60/23/35/388602335.db2.gz MVOVZSRJXMGEJW-UHFFFAOYSA-N 0 3 237.259 0.104 20 0 BCADHN c1snnc1CN1CCN2CCC[C@H]2C1 ZINC000245774317 388604898 /nfs/dbraw/zinc/60/48/98/388604898.db2.gz SILMDGPBNNTNHQ-JTQLQIEISA-N 0 3 224.333 0.818 20 0 BCADHN O=C(CCC1CC1)NC[C@H]1CNCCO1 ZINC000400813402 388605046 /nfs/dbraw/zinc/60/50/46/388605046.db2.gz ZHUMUIIGRCRCDR-SNVBAGLBSA-N 0 3 212.293 0.281 20 0 BCADHN N[C@H](C(=O)N1CCC(CCO)CC1)C1CCC1 ZINC000401052900 388605338 /nfs/dbraw/zinc/60/53/38/388605338.db2.gz UTAZJWSIURDONT-LBPRGKRZSA-N 0 3 240.347 0.735 20 0 BCADHN CCOC(=O)CCN1CCC(CO)(OC)CC1 ZINC000401814975 388610494 /nfs/dbraw/zinc/61/04/94/388610494.db2.gz WVQWYJRJECYAJK-UHFFFAOYSA-N 0 3 245.319 0.413 20 0 BCADHN CC[C@H](O)CN1CCC[C@@H](OCCOC)C1 ZINC000245922313 388610520 /nfs/dbraw/zinc/61/05/20/388610520.db2.gz SWTJTIGEPWWCRF-NWDGAFQWSA-N 0 3 231.336 0.885 20 0 BCADHN O=C(c1cncnc1)N1CC[C@H](N2CCCC2)C1 ZINC000082267394 388611673 /nfs/dbraw/zinc/61/16/73/388611673.db2.gz COYLTLVRYRCBHL-LBPRGKRZSA-N 0 3 246.314 0.787 20 0 BCADHN COC[C@@H](C)N(C)CCN1CCCC1=O ZINC000080027145 388552210 /nfs/dbraw/zinc/55/22/10/388552210.db2.gz GQKROYKJPCWYNC-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000517589145 388555456 /nfs/dbraw/zinc/55/54/56/388555456.db2.gz WFLZYFWKFCCWMY-RDDDGLTNSA-N 0 3 219.288 0.720 20 0 BCADHN OCc1ccc(CN[C@@H]2CCOC[C@H]2O)cc1 ZINC000630073287 388615595 /nfs/dbraw/zinc/61/55/95/388615595.db2.gz CPTQNCOPHBJGGY-CHWSQXEVSA-N 0 3 237.299 0.418 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H]1[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000528663796 388556480 /nfs/dbraw/zinc/55/64/80/388556480.db2.gz UQJCMYLPTJBFHA-HHKYUTTNSA-N 0 3 228.336 0.898 20 0 BCADHN CCc1cc(N2C[C@H](O)C[C@H](O)C2)ccn1 ZINC000649290153 388558383 /nfs/dbraw/zinc/55/83/83/388558383.db2.gz CLHKOZPUENFJHA-TXEJJXNPSA-N 0 3 222.288 0.576 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CCC(CCCO)CC1 ZINC000360098049 388558673 /nfs/dbraw/zinc/55/86/73/388558673.db2.gz MMEVSNZSJXTLFS-NSHDSACASA-N 0 3 242.363 0.948 20 0 BCADHN COC[C@H](C)N1CCC(F)(F)[C@H](CO)C1 ZINC000361417609 388559425 /nfs/dbraw/zinc/55/94/25/388559425.db2.gz XZECJHJNFFSSDA-IUCAKERBSA-N 0 3 223.263 0.971 20 0 BCADHN CO[C@]1(C)CCCN([C@@H]2COC[C@@H]2O)C1 ZINC000361392682 388560641 /nfs/dbraw/zinc/56/06/41/388560641.db2.gz UXFWKLDEBIMRFG-OUAUKWLOSA-N 0 3 215.293 0.247 20 0 BCADHN Cc1noc([C@@H](C)NC(=O)[C@H]2CCN(C)C2)n1 ZINC000521073226 388562593 /nfs/dbraw/zinc/56/25/93/388562593.db2.gz KHIXHOGFXACING-APPZFPTMSA-N 0 3 238.291 0.507 20 0 BCADHN CC(C)OCCN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528748376 388565031 /nfs/dbraw/zinc/56/50/31/388565031.db2.gz GYOWJVOJCDKEEO-BETUJISGSA-N 0 3 245.363 0.724 20 0 BCADHN CCC[C@H](C)N1CC[C@H](S(=O)(=O)NC)C1 ZINC000548849380 388566193 /nfs/dbraw/zinc/56/61/93/388566193.db2.gz GXQNUHVIBIFUDL-UWVGGRQHSA-N 0 3 234.365 0.799 20 0 BCADHN CNC(=O)CN[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528750684 388566265 /nfs/dbraw/zinc/56/62/65/388566265.db2.gz BJUJMLYZSURLQR-GHCJXIJMSA-N 0 3 200.282 0.134 20 0 BCADHN COC[C@H]1CCN(C(=O)CNC2CC2)C1 ZINC000081061230 388566528 /nfs/dbraw/zinc/56/65/28/388566528.db2.gz PFLDBPCNMNDADR-VIFPVBQESA-N 0 3 212.293 0.233 20 0 BCADHN CCC1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC1 ZINC000368370436 388568126 /nfs/dbraw/zinc/56/81/26/388568126.db2.gz PCIDQDXUGPICQU-IUCAKERBSA-N 0 3 214.284 0.993 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cn[nH]n1 ZINC000528758461 388568389 /nfs/dbraw/zinc/56/83/89/388568389.db2.gz IZPMWSVNHKTJEJ-IBCQBUCCSA-N 0 3 210.281 0.706 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1c[nH]nn1 ZINC000528758461 388568393 /nfs/dbraw/zinc/56/83/93/388568393.db2.gz IZPMWSVNHKTJEJ-IBCQBUCCSA-N 0 3 210.281 0.706 20 0 BCADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@@H]1CCCNC1=O ZINC000528762412 388568801 /nfs/dbraw/zinc/56/88/01/388568801.db2.gz LKHYFQHBULIMDG-FBDQPXRJSA-N 0 3 226.320 0.667 20 0 BCADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N[C@H]1CCCNC1=O ZINC000528762414 388568941 /nfs/dbraw/zinc/56/89/41/388568941.db2.gz LKHYFQHBULIMDG-NZHYYXIDSA-N 0 3 226.320 0.667 20 0 BCADHN O=S(=O)(CC1CC1)NC[C@@H]1C[C@H](F)CN1 ZINC000368638756 388570072 /nfs/dbraw/zinc/57/00/72/388570072.db2.gz PGQZNFNDZBBNTB-IUCAKERBSA-N 0 3 236.312 0.016 20 0 BCADHN Cn1ccnc1CN[C@H]1CCc2nc[nH]c2C1 ZINC000581100318 388571630 /nfs/dbraw/zinc/57/16/30/388571630.db2.gz LNXWQGJMDUNBDW-VIFPVBQESA-N 0 3 231.303 0.790 20 0 BCADHN Cn1ccnc1CN[C@H]1CCc2[nH]cnc2C1 ZINC000581100318 388571634 /nfs/dbraw/zinc/57/16/34/388571634.db2.gz LNXWQGJMDUNBDW-VIFPVBQESA-N 0 3 231.303 0.790 20 0 BCADHN CCN(CCO)CCNC(=O)CC1CCCC1 ZINC000183939524 388572191 /nfs/dbraw/zinc/57/21/91/388572191.db2.gz WKUYXEJXPYBCTH-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN CC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528781471 388572612 /nfs/dbraw/zinc/57/26/12/388572612.db2.gz JZSQIFTTWRZKRU-YYHMBLRTSA-N 0 3 231.361 0.743 20 0 BCADHN CCN(CCO)CCNC(=O)C1CCCCC1 ZINC000183952367 388572763 /nfs/dbraw/zinc/57/27/63/388572763.db2.gz OXDLAAYYQHPVMQ-UHFFFAOYSA-N 0 3 242.363 0.997 20 0 BCADHN CCN(CCO)CCNC(=O)[C@H]1C[C@@]1(C)CC ZINC000184005431 388573383 /nfs/dbraw/zinc/57/33/83/388573383.db2.gz XZFYSNOUUDWMDF-DGCLKSJQSA-N 0 3 242.363 0.853 20 0 BCADHN CCN(CCO)CCNC(=O)c1cc(C)no1 ZINC000183987567 388573898 /nfs/dbraw/zinc/57/38/98/388573898.db2.gz NWFGWQQFAGDVHO-UHFFFAOYSA-N 0 3 241.291 0.027 20 0 BCADHN CCN(CCO)CCNC(=O)[C@@H]1C[C@@]1(C)CC ZINC000184005466 388573907 /nfs/dbraw/zinc/57/39/07/388573907.db2.gz XZFYSNOUUDWMDF-WCQYABFASA-N 0 3 242.363 0.853 20 0 BCADHN CCN(CCO)CCNC(=O)C1(C)CC1 ZINC000184005760 388573960 /nfs/dbraw/zinc/57/39/60/388573960.db2.gz ZVAXHPZFKIMOLB-UHFFFAOYSA-N 0 3 214.309 0.217 20 0 BCADHN C[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528788617 388574089 /nfs/dbraw/zinc/57/40/89/388574089.db2.gz NKFJHFGWVSTLBT-RBQUTUCGSA-N 0 3 217.334 0.353 20 0 BCADHN CCN1CC[C@H]2OCCN(c3cccnn3)[C@H]2C1 ZINC000549194283 388574807 /nfs/dbraw/zinc/57/48/07/388574807.db2.gz KPBLTYALWQRGCT-NWDGAFQWSA-N 0 3 248.330 0.776 20 0 BCADHN COC[C@H](O)CNCc1ccc2[nH]cnc2c1 ZINC000549261841 388575680 /nfs/dbraw/zinc/57/56/80/388575680.db2.gz PKTDGCDNEBCCNT-SNVBAGLBSA-N 0 3 235.287 0.660 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccnn1 ZINC000528821308 388576509 /nfs/dbraw/zinc/57/65/09/388576509.db2.gz ZYHLMNHTHSEXGH-CABZTGNLSA-N 0 3 246.314 0.689 20 0 BCADHN C[C@H](O)CCN(C)CCN(C)CC[C@H](C)O ZINC000245434024 388578569 /nfs/dbraw/zinc/57/85/69/388578569.db2.gz CCGJYXHOTNXTMJ-RYUDHWBXSA-N 0 3 232.368 0.392 20 0 BCADHN CCNC(=O)CCN1CC[C@H](OC(F)F)C1 ZINC000549414794 388580248 /nfs/dbraw/zinc/58/02/48/388580248.db2.gz MLGWMSBDDTXQSX-QMMMGPOBSA-N 0 3 236.262 0.826 20 0 BCADHN O[C@@H]1COC[C@H]1N[C@H]1CCCSC1 ZINC000252823318 388580472 /nfs/dbraw/zinc/58/04/72/388580472.db2.gz RPHNAKNJCALGEF-DJLDLDEBSA-N 0 3 203.307 0.231 20 0 BCADHN CC(C)C[C@H](N)C(=O)Nc1c[nH]ccc1=O ZINC000649301278 388583353 /nfs/dbraw/zinc/58/33/53/388583353.db2.gz RPLBUESEJUJHOB-QMMMGPOBSA-N 0 3 223.276 0.687 20 0 BCADHN C[C@@H]1CCN[C@@H](C(=O)Nc2c[nH]ccc2=O)C1 ZINC000649301188 388583413 /nfs/dbraw/zinc/58/34/13/388583413.db2.gz KIABLJHTGNQPFY-RKDXNWHRSA-N 0 3 235.287 0.702 20 0 BCADHN CC[C@@H](O)CN1CCN(C[C@@H](O)CC)[C@H](C)C1 ZINC000549527301 388583593 /nfs/dbraw/zinc/58/35/93/388583593.db2.gz IUAGCGQOWFFTTP-UPJWGTAASA-N 0 3 244.379 0.534 20 0 BCADHN C[C@@H](C1CC1)N(C)CCS(=O)(=O)N(C)C ZINC000552081131 388667816 /nfs/dbraw/zinc/66/78/16/388667816.db2.gz FUEVRUJWWRZLJY-VIFPVBQESA-N 0 3 234.365 0.608 20 0 BCADHN C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)CO)CCN1C ZINC000521950349 388671254 /nfs/dbraw/zinc/67/12/54/388671254.db2.gz QPYLPYCKXHCKLV-MNOVXSKESA-N 0 3 242.363 0.946 20 0 BCADHN CN[C@@H](C)C(=O)Nc1ccnc2ccnn21 ZINC000522014328 388675254 /nfs/dbraw/zinc/67/52/54/388675254.db2.gz OFMUGOLCGMRPRP-ZETCQYMHSA-N 0 3 219.248 0.276 20 0 BCADHN CCOCCN1CCN(CCO)C[C@H]1C ZINC000248331233 388675761 /nfs/dbraw/zinc/67/57/61/388675761.db2.gz DVZBLDQMBSAJBL-LLVKDONJSA-N 0 3 216.325 0.021 20 0 BCADHN C[C@H](NC[C@H]1CCCN1C)c1ccc(=O)[nH]n1 ZINC000552252076 388686549 /nfs/dbraw/zinc/68/65/49/388686549.db2.gz AKFRRTJXSHGOPR-VHSXEESVSA-N 0 3 236.319 0.927 20 0 BCADHN CCC[C@@H](N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000192593674 388680799 /nfs/dbraw/zinc/68/07/99/388680799.db2.gz ZKYWOSGBUIMCSN-FRRDWIJNSA-N 0 3 248.326 0.888 20 0 BCADHN CO[C@H]1C[C@@H](NC(=O)C(C)(C)N)C1(C)C ZINC000225547135 388680809 /nfs/dbraw/zinc/68/08/09/388680809.db2.gz YWMVGHFQQHKDOR-SFYZADRCSA-N 0 3 214.309 0.653 20 0 BCADHN Cc1cc(C(=O)N2CCCNCC2)[nH]n1 ZINC000069906487 388682454 /nfs/dbraw/zinc/68/24/54/388682454.db2.gz UTSKHZMKXOUNPV-UHFFFAOYSA-N 0 3 208.265 0.154 20 0 BCADHN Cc1cc(C(=O)N2CCCNCC2)n[nH]1 ZINC000069906487 388682456 /nfs/dbraw/zinc/68/24/56/388682456.db2.gz UTSKHZMKXOUNPV-UHFFFAOYSA-N 0 3 208.265 0.154 20 0 BCADHN CO[C@@H]1CN(Cc2cnc[nH]2)[C@](C)(CO)C1 ZINC000630076254 388619348 /nfs/dbraw/zinc/61/93/48/388619348.db2.gz IVHOMPSOKPSVMA-QWRGUYRKSA-N 0 3 225.292 0.381 20 0 BCADHN CCc1ncc(CNC[C@H]2COCCN2)s1 ZINC000530181306 388622350 /nfs/dbraw/zinc/62/23/50/388622350.db2.gz LQBBBNQSJQIHFU-VIFPVBQESA-N 0 3 241.360 0.784 20 0 BCADHN CN(C)c1ccccc1CNC[C@@H]1COCCN1 ZINC000530181254 388622847 /nfs/dbraw/zinc/62/28/47/388622847.db2.gz KRHBIICVKUYVQS-CYBMUJFWSA-N 0 3 249.358 0.831 20 0 BCADHN c1[nH]nc2cc(CNC[C@H]3COCCN3)ccc12 ZINC000530182233 388622949 /nfs/dbraw/zinc/62/29/49/388622949.db2.gz SEHPGDPVGHDTMP-LBPRGKRZSA-N 0 3 246.314 0.641 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2nncs2)CCN1C ZINC000530183803 388623563 /nfs/dbraw/zinc/62/35/63/388623563.db2.gz DCAQRWLIXWPPRS-HTQZYQBOSA-N 0 3 240.332 0.751 20 0 BCADHN CN1CC=C(CNC(=O)c2nncs2)CC1 ZINC000530185742 388624016 /nfs/dbraw/zinc/62/40/16/388624016.db2.gz DRKQQYIWJXDMNT-UHFFFAOYSA-N 0 3 238.316 0.530 20 0 BCADHN CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](CC)C1 ZINC000246228442 388624371 /nfs/dbraw/zinc/62/43/71/388624371.db2.gz MHJWKBCYLUQMFF-NXEZZACHSA-N 0 3 241.335 0.953 20 0 BCADHN CN(C)C1(CNC(=O)c2nncs2)CC1 ZINC000530188490 388624783 /nfs/dbraw/zinc/62/47/83/388624783.db2.gz FMEGCKAMCQRIGH-UHFFFAOYSA-N 0 3 226.305 0.362 20 0 BCADHN C[C@H](O)CN1CCN(C[C@@H]2CCCCO2)CC1 ZINC000189371037 388631343 /nfs/dbraw/zinc/63/13/43/388631343.db2.gz YCHIVASZKAKNEY-STQMWFEESA-N 0 3 242.363 0.554 20 0 BCADHN CSCCCN1CCN(C[C@H](C)O)CC1 ZINC000189367430 388631369 /nfs/dbraw/zinc/63/13/69/388631369.db2.gz KCLXJVSFSJXMEO-NSHDSACASA-N 0 3 232.393 0.738 20 0 BCADHN C[C@H](NC[C@H]1COCCN1)c1ccnn1C ZINC000530225789 388635740 /nfs/dbraw/zinc/63/57/40/388635740.db2.gz NJJSMAGKGNVFRB-UWVGGRQHSA-N 0 3 224.308 0.059 20 0 BCADHN CC(C)OCCN1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000189556232 388637592 /nfs/dbraw/zinc/63/75/92/388637592.db2.gz SRUPSVJNPJVGHU-QWHCGFSZSA-N 0 3 244.379 0.798 20 0 BCADHN C[C@@H](O)CNC[C@@H]1c2ccccc2C(=O)N1C ZINC000530241919 388638173 /nfs/dbraw/zinc/63/81/73/388638173.db2.gz FERRYDXWKCJNBG-BXKDBHETSA-N 0 3 234.299 0.784 20 0 BCADHN COC[C@H](N[C@H]1CCN(C)C1=O)C(C)C ZINC000083399097 388639374 /nfs/dbraw/zinc/63/93/74/388639374.db2.gz LDHIKMCYNGEOKN-UWVGGRQHSA-N 0 3 214.309 0.478 20 0 BCADHN C[C@@H](N[C@H]1CCOC1(C)C)C(=O)N(C)C ZINC000328458764 388643486 /nfs/dbraw/zinc/64/34/86/388643486.db2.gz SVDGOCMABYJTOJ-BDAKNGLRSA-N 0 3 214.309 0.620 20 0 BCADHN C[C@@H]1NC(=O)CC[C@@H]1N[C@@H]1CCN(C)C1=O ZINC000328598047 388645128 /nfs/dbraw/zinc/64/51/28/388645128.db2.gz AWVIPZRYKZXSAZ-XHNCKOQMSA-N 0 3 225.292 0.314 20 0 BCADHN CO[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000261586586 135227724 /nfs/dbraw/zinc/22/77/24/135227724.db2.gz RGKAWNHOAHDCAP-NTSWFWBYSA-N 0 3 226.198 0.123 20 0 BCADHN CC(C)COC[C@@H](O)CN(C)CC[C@H](C)O ZINC000246805566 388652434 /nfs/dbraw/zinc/65/24/34/388652434.db2.gz VTBGPRAIPTVHRQ-RYUDHWBXSA-N 0 3 233.352 0.723 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H](C)N1 ZINC000620897997 388652662 /nfs/dbraw/zinc/65/26/62/388652662.db2.gz JKMKJJJLOUSFCP-HBNTYKKESA-N 0 3 228.336 0.602 20 0 BCADHN CC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H](C)N1 ZINC000620898144 388652893 /nfs/dbraw/zinc/65/28/93/388652893.db2.gz PCTDPGIJKRMEEG-DTWKUNHWSA-N 0 3 237.307 0.028 20 0 BCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CN(C)C ZINC000247036862 388657791 /nfs/dbraw/zinc/65/77/91/388657791.db2.gz SRAKONJUVDDNTO-GHMZBOCLSA-N 0 3 227.352 0.347 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CCOC2)CN1C1CC1 ZINC000247019959 388658073 /nfs/dbraw/zinc/65/80/73/388658073.db2.gz SLTCNIIXQBEJMU-OUAUKWLOSA-N 0 3 238.331 0.764 20 0 BCADHN C[C@@H]1CCN(C)CCN1Cc1ccn(C)n1 ZINC000552032694 388661911 /nfs/dbraw/zinc/66/19/11/388661911.db2.gz DNTBODPYBDJGFG-LLVKDONJSA-N 0 3 222.336 0.946 20 0 BCADHN CC[C@@H]1CN(C(=O)CN(CC)CC)CCO1 ZINC000063709146 388664457 /nfs/dbraw/zinc/66/44/57/388664457.db2.gz VNHRUQHZFLJHLW-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN CN1CCC[C@H]1CNC(=O)c1ccon1 ZINC000194517537 388734587 /nfs/dbraw/zinc/73/45/87/388734587.db2.gz AXPLGYNUUILAAS-QMMMGPOBSA-N 0 3 209.249 0.499 20 0 BCADHN CC(C)N(C)CC(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000067572975 388734964 /nfs/dbraw/zinc/73/49/64/388734964.db2.gz WWPLIVYTAISOGP-WDEREUQCSA-N 0 3 228.336 0.962 20 0 BCADHN CN(C)CCOc1ccccc1CNC(N)=O ZINC000194600845 388736028 /nfs/dbraw/zinc/73/60/28/388736028.db2.gz GEDVIYSWKBFTAL-UHFFFAOYSA-N 0 3 237.303 0.795 20 0 BCADHN O=C(NCCN1CCCC1)c1ccon1 ZINC000194597763 388736074 /nfs/dbraw/zinc/73/60/74/388736074.db2.gz JQBMMRVBYJHVEO-UHFFFAOYSA-N 0 3 209.249 0.500 20 0 BCADHN CC(C)N(C)CC(=O)N1CC(n2ccnc2)C1 ZINC000522258069 388737488 /nfs/dbraw/zinc/73/74/88/388737488.db2.gz YVSRXSJZHIZYQR-UHFFFAOYSA-N 0 3 236.319 0.607 20 0 BCADHN CCN1CCC[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC000194640452 388737908 /nfs/dbraw/zinc/73/79/08/388737908.db2.gz KIUZYCPEKSESBU-LLVKDONJSA-N 0 3 236.319 0.634 20 0 BCADHN C/C=C/C=C\C(=O)N1CCN(C)C[C@H]1CN ZINC000250632338 388738303 /nfs/dbraw/zinc/73/83/03/388738303.db2.gz DGJPTZDJALYJEB-TYGHSQKFSA-N 0 3 223.320 0.220 20 0 BCADHN O=C(CN[C@@H]1CCSC1)NCc1ccco1 ZINC000128110391 388738609 /nfs/dbraw/zinc/73/86/09/388738609.db2.gz PKUOVAMUBCFITM-SECBINFHSA-N 0 3 240.328 0.991 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CC(n2ccnc2)C1 ZINC000522258543 388738870 /nfs/dbraw/zinc/73/88/70/388738870.db2.gz LQZKMEABRYEGRP-LLVKDONJSA-N 0 3 234.303 0.361 20 0 BCADHN O[C@H](CNC[C@@H]1CCC[C@H]1O)C(F)(F)F ZINC000250672116 388739437 /nfs/dbraw/zinc/73/94/37/388739437.db2.gz VFHMGIOCZCUSOP-XLPZGREQSA-N 0 3 227.226 0.660 20 0 BCADHN C[C@H]1CCN(CC(=O)NC2CCN(C)CC2)C1 ZINC000552883096 388739479 /nfs/dbraw/zinc/73/94/79/388739479.db2.gz OYPDKUIOTVLEJI-NSHDSACASA-N 0 3 239.363 0.539 20 0 BCADHN O[C@H]1CCCN(CCOC[C@H]2CCCO2)C1 ZINC000250986022 388742207 /nfs/dbraw/zinc/74/22/07/388742207.db2.gz BXURINSNNSQAJG-NWDGAFQWSA-N 0 3 229.320 0.639 20 0 BCADHN Cc1cnc(C(=O)NC[C@H]2CCCN2C)cn1 ZINC000194734903 388742476 /nfs/dbraw/zinc/74/24/76/388742476.db2.gz KLDAIIMRMZQJME-SNVBAGLBSA-N 0 3 234.303 0.609 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@@H]1CCC[C@H]1O)N(C)C ZINC000552981584 388743660 /nfs/dbraw/zinc/74/36/60/388743660.db2.gz XMMQVTWUPODNSF-HBNTYKKESA-N 0 3 228.336 0.698 20 0 BCADHN CO[C@H](CN)C(=O)NC1CCCCCC1 ZINC000227347624 388748590 /nfs/dbraw/zinc/74/85/90/388748590.db2.gz HZJJGHUENMEDLN-SNVBAGLBSA-N 0 3 214.309 0.799 20 0 BCADHN CO[C@@H](CN)C(=O)N(C)Cc1cccs1 ZINC000227349511 388748751 /nfs/dbraw/zinc/74/87/51/388748751.db2.gz CLHMUXCLEVHPDW-VIFPVBQESA-N 0 3 228.317 0.680 20 0 BCADHN CCC1CCN(C(=O)[C@@H](CN)OC)CC1 ZINC000227368345 388749401 /nfs/dbraw/zinc/74/94/01/388749401.db2.gz ZYOBIXUTYPHKPM-SNVBAGLBSA-N 0 3 214.309 0.609 20 0 BCADHN CO[C@H](CN)C(=O)Nc1nc(C)c(C)s1 ZINC000227377734 388749865 /nfs/dbraw/zinc/74/98/65/388749865.db2.gz HMMFTJIAJDKBPZ-SSDOTTSWSA-N 0 3 229.305 0.672 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cccnc1C ZINC000227389601 388750357 /nfs/dbraw/zinc/75/03/57/388750357.db2.gz HDKJXXKAAKCBQK-VIFPVBQESA-N 0 3 209.249 0.302 20 0 BCADHN CO[C@@H](CN)C(=O)NCc1ccsc1 ZINC000227383336 388750579 /nfs/dbraw/zinc/75/05/79/388750579.db2.gz UVAYJYKRVUXSCF-QMMMGPOBSA-N 0 3 214.290 0.338 20 0 BCADHN CO[C@H](CN)C(=O)NC[C@H]1CC1(C)C ZINC000227417699 388750911 /nfs/dbraw/zinc/75/09/11/388750911.db2.gz RGUHBTBNLFOBJJ-HTQZYQBOSA-N 0 3 200.282 0.122 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1ccc(F)nc1 ZINC000227416701 388751236 /nfs/dbraw/zinc/75/12/36/388751236.db2.gz NWRXBHPGKJQOGG-ZETCQYMHSA-N 0 3 213.212 0.133 20 0 BCADHN CCOCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC000553208634 388752524 /nfs/dbraw/zinc/75/25/24/388752524.db2.gz SBVSDGFCXSMYSP-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN C[C@H]1CN(C)CCN1CCCN1CCCC1=O ZINC000522096537 388687508 /nfs/dbraw/zinc/68/75/08/388687508.db2.gz ILXYZHCNMVDSHC-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CCCN(C(=O)[C@@H](C)OC)[C@H]1CCN(C)C1 ZINC000649000868 388689337 /nfs/dbraw/zinc/68/93/37/388689337.db2.gz FAMYQPPTVJAEHJ-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CCCN(C(=O)c1cn[nH]c1)[C@H]1CCN(C)C1 ZINC000649001534 388691159 /nfs/dbraw/zinc/69/11/59/388691159.db2.gz OGYDEWMBEFYNDO-NSHDSACASA-N 0 3 236.319 0.966 20 0 BCADHN Cc1nn(C)cc1CN[C@@H]1CCC[C@@H]1CO ZINC000126266549 388692475 /nfs/dbraw/zinc/69/24/75/388692475.db2.gz LVSAFOSTNAUSRD-ZYHUDNBSSA-N 0 3 223.320 0.979 20 0 BCADHN C[C@H](CO)NCc1ccc(S(C)(=O)=O)cc1 ZINC000067223857 388694050 /nfs/dbraw/zinc/69/40/50/388694050.db2.gz IAUFKEKMODZJJD-SECBINFHSA-N 0 3 243.328 0.561 20 0 BCADHN CCC[C@@H](C)NC(=O)[C@@H](C)N1CC[C@@H](CO)C1 ZINC000225979278 388695172 /nfs/dbraw/zinc/69/51/72/388695172.db2.gz CJWIEZGZWIHHSL-IJLUTSLNSA-N 0 3 242.363 0.994 20 0 BCADHN CC(C(=O)N(C)C)S(=O)(=O)C[C@H]1CCCO1 ZINC000193267461 388698551 /nfs/dbraw/zinc/69/85/51/388698551.db2.gz PIVNWHDDXUOWJU-RKDXNWHRSA-N 0 3 249.332 0.057 20 0 BCADHN CC(=O)NCCCN(C)[C@@H](C)C[S@](C)=O ZINC000126687486 388699138 /nfs/dbraw/zinc/69/91/38/388699138.db2.gz AYUBVQHCPRJXSU-BJOHPYRUSA-N 0 3 234.365 0.211 20 0 BCADHN CC[C@H](C(=O)NCCCCCO)N(C)C ZINC000193305363 388699667 /nfs/dbraw/zinc/69/96/67/388699667.db2.gz COOPSGLHNPOHGY-SNVBAGLBSA-N 0 3 216.325 0.605 20 0 BCADHN CC(=O)NCCCN(C)[C@H](C)C[S@@](C)=O ZINC000126688218 388699838 /nfs/dbraw/zinc/69/98/38/388699838.db2.gz AYUBVQHCPRJXSU-PSLIRLAXSA-N 0 3 234.365 0.211 20 0 BCADHN COC[C@@H](O)CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000538627155 388703863 /nfs/dbraw/zinc/70/38/63/388703863.db2.gz IUOGZGHSLYCHOK-DCAQKATOSA-N 0 3 216.325 0.018 20 0 BCADHN COC[C@@H](O)CN1CCN(C)[C@H](C)[C@H]1C ZINC000538627157 388704136 /nfs/dbraw/zinc/70/41/36/388704136.db2.gz IUOGZGHSLYCHOK-MXWKQRLJSA-N 0 3 216.325 0.018 20 0 BCADHN CN(C)CCOCCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000538649453 388704371 /nfs/dbraw/zinc/70/43/71/388704371.db2.gz OXTZBSLJNIOBBR-GDNZZTSVSA-N 0 3 240.347 0.727 20 0 BCADHN Cc1ocnc1C(=O)NCCOCCN(C)C ZINC000538650580 388704937 /nfs/dbraw/zinc/70/49/37/388704937.db2.gz XWXZDTYBGPWJRC-UHFFFAOYSA-N 0 3 241.291 0.291 20 0 BCADHN CCc1nnc(NC(=O)[C@@H]2CCN(C)C2)s1 ZINC000522146275 388705733 /nfs/dbraw/zinc/70/57/33/388705733.db2.gz WKEVEXAGOYCEBP-SSDOTTSWSA-N 0 3 240.332 0.991 20 0 BCADHN CN(CC1CCOCC1)[C@H]1CCCN(C)C1=O ZINC000538712096 388707640 /nfs/dbraw/zinc/70/76/40/388707640.db2.gz SPHPYLZONMMCQI-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CN(CC1CCOCC1)[C@@H]1CCCN(C)C1=O ZINC000538712095 388707830 /nfs/dbraw/zinc/70/78/30/388707830.db2.gz SPHPYLZONMMCQI-GFCCVEGCSA-N 0 3 240.347 0.966 20 0 BCADHN COC(=O)[C@@H]1CCN([C@@H]2CCCN(C)C2=O)C1 ZINC000538712041 388708295 /nfs/dbraw/zinc/70/82/95/388708295.db2.gz YZDNIOXZISSWNT-NXEZZACHSA-N 0 3 240.303 0.102 20 0 BCADHN CN1CCC[C@@H](N2CCC(CCO)CC2)C1=O ZINC000538711601 388708345 /nfs/dbraw/zinc/70/83/45/388708345.db2.gz CZNWPKIEISPSGF-GFCCVEGCSA-N 0 3 240.347 0.702 20 0 BCADHN CCNC(=O)CCN(CC)Cc1cnn(C)c1 ZINC000195518965 388712672 /nfs/dbraw/zinc/71/26/72/388712672.db2.gz CUFJDWARSSLNTH-UHFFFAOYSA-N 0 3 238.335 0.768 20 0 BCADHN CCC[C@H](C)N1CCO[C@@H](C(=O)NC)C1 ZINC000249265367 388714642 /nfs/dbraw/zinc/71/46/42/388714642.db2.gz IOTSDKLFVMLICE-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CC(C)NC(=O)CN(C)[C@@H]1CCCC[C@H]1O ZINC000249321247 388717127 /nfs/dbraw/zinc/71/71/27/388717127.db2.gz LPDJZPAMECFYPZ-GHMZBOCLSA-N 0 3 228.336 0.746 20 0 BCADHN NC(=O)c1cccc(CCNCc2ncc[nH]2)c1 ZINC000066594031 388720025 /nfs/dbraw/zinc/72/00/25/388720025.db2.gz ZFUPLRHZYZNBLZ-UHFFFAOYSA-N 0 3 244.298 0.841 20 0 BCADHN COCCN(C)C[C@@H](O)COC1CCOCC1 ZINC000127408982 388722773 /nfs/dbraw/zinc/72/27/73/388722773.db2.gz RQRNMUNDRQAMFI-LLVKDONJSA-N 0 3 247.335 0.121 20 0 BCADHN C[C@H](CO)N(CCOCC(F)F)C[C@H](C)O ZINC000249494024 388724365 /nfs/dbraw/zinc/72/43/65/388724365.db2.gz VTYVBCPBWYXHGC-BDAKNGLRSA-N 0 3 241.278 0.332 20 0 BCADHN COC[C@@H](CNCc1cnn(C)c1)OC ZINC000227705501 388756892 /nfs/dbraw/zinc/75/68/92/388756892.db2.gz KUEXRMZWDQXJQU-SNVBAGLBSA-N 0 3 213.281 0.171 20 0 BCADHN C[C@@H](COCC(F)(F)F)NC(=O)C(C)(C)N ZINC000262426519 135296355 /nfs/dbraw/zinc/29/63/55/135296355.db2.gz HQGXXFAGBKKCLJ-LURJTMIESA-N 0 3 242.241 0.807 20 0 BCADHN CCOCCN(C)CCN1CCOC[C@H]1C ZINC000249558903 388727127 /nfs/dbraw/zinc/72/71/27/388727127.db2.gz MKYUIKIBSQPMAW-GFCCVEGCSA-N 0 3 230.352 0.675 20 0 BCADHN CCN(C)CCNC(=O)N(CC)CC ZINC000066988512 388727400 /nfs/dbraw/zinc/72/74/00/388727400.db2.gz IRFVFAZDTNUNNN-UHFFFAOYSA-N 0 3 201.314 0.990 20 0 BCADHN COC[C@@H](C)N1CCN(CCO)[C@H](C)C1 ZINC000249578038 388728087 /nfs/dbraw/zinc/72/80/87/388728087.db2.gz PZLQODSVVDQOJF-GHMZBOCLSA-N 0 3 216.325 0.020 20 0 BCADHN CCNC(=O)CN(C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249583348 388728204 /nfs/dbraw/zinc/72/82/04/388728204.db2.gz SACQSHNXTWFVEL-ZYHUDNBSSA-N 0 3 228.336 0.605 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)N1CC[C@@H](O)[C@H](C)C1 ZINC000249590840 388730060 /nfs/dbraw/zinc/73/00/60/388730060.db2.gz VJOMGVWYEQHNSC-GRYCIOLGSA-N 0 3 242.363 0.944 20 0 BCADHN CC[C@]1(CO)CCCN([C@H]2CCN(C)C2=O)C1 ZINC000249595132 388730310 /nfs/dbraw/zinc/73/03/10/388730310.db2.gz WPUHKFBLSBEGLY-AAEUAGOBSA-N 0 3 240.347 0.702 20 0 BCADHN CCN(CCNC(=O)NCCCCO)C1CC1 ZINC000194380227 388730468 /nfs/dbraw/zinc/73/04/68/388730468.db2.gz GQXBDEIIYXICPS-UHFFFAOYSA-N 0 3 243.351 0.542 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)OC ZINC000249704730 388731953 /nfs/dbraw/zinc/73/19/53/388731953.db2.gz LZBPOJPTQWGZBX-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN CO[C@@H]1CN([C@@H](C)C(=O)N(C)C)CC[C@H]1C ZINC000251896777 388757112 /nfs/dbraw/zinc/75/71/12/388757112.db2.gz QQUXBCMGCCXYRO-OUAUKWLOSA-N 0 3 228.336 0.820 20 0 BCADHN C[C@H]1CCN(CCNC(=O)[C@H](O)C2CCC2)C1 ZINC000649084332 388793036 /nfs/dbraw/zinc/79/30/36/388793036.db2.gz JBRNWONLLNPYLN-CMPLNLGQSA-N 0 3 240.347 0.605 20 0 BCADHN Cc1cnn(C)c1CNCC(C)(C)OCCO ZINC000288557180 388795834 /nfs/dbraw/zinc/79/58/34/388795834.db2.gz YGVDPRGWCRCJSA-UHFFFAOYSA-N 0 3 241.335 0.606 20 0 BCADHN C[C@H]1CCN(CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000572540838 388796522 /nfs/dbraw/zinc/79/65/22/388796522.db2.gz KJTBQGGXFSKOGW-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN CN(C)CCOCCNCc1cscn1 ZINC000230005151 388809427 /nfs/dbraw/zinc/80/94/27/388809427.db2.gz QBVWFZZUTGBHGG-UHFFFAOYSA-N 0 3 229.349 0.811 20 0 BCADHN Cc1nnsc1C(=O)N1CCCNCC1 ZINC000020248662 388759946 /nfs/dbraw/zinc/75/99/46/388759946.db2.gz HDWKSZDPAZAEDS-UHFFFAOYSA-N 0 3 226.305 0.282 20 0 BCADHN C[C@@H]1OCC[C@]1(O)CNCc1cncs1 ZINC000227980359 388764242 /nfs/dbraw/zinc/76/42/42/388764242.db2.gz FRTYDJYVKYPADW-WPRPVWTQSA-N 0 3 228.317 0.773 20 0 BCADHN CO[C@@H](C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000068195843 388766634 /nfs/dbraw/zinc/76/66/34/388766634.db2.gz WTUHNLOPYNCWEH-IUCAKERBSA-N 0 3 214.309 0.620 20 0 BCADHN CC[C@@H](C(=O)NCc1cccc(=O)[nH]1)N(C)C ZINC000539698475 388772043 /nfs/dbraw/zinc/77/20/43/388772043.db2.gz FJDAJUXNPVAHSW-JTQLQIEISA-N 0 3 237.303 0.744 20 0 BCADHN C[C@H](O)CCN(C)[C@@H]1CCCN(C)C1=O ZINC000539808576 388774946 /nfs/dbraw/zinc/77/49/46/388774946.db2.gz CZXHORWCKSGOOY-VHSXEESVSA-N 0 3 214.309 0.310 20 0 BCADHN CO[C@H]1CCN([C@@H]2CCCN(C)C2=O)C1 ZINC000539808942 388777014 /nfs/dbraw/zinc/77/70/14/388777014.db2.gz YCGSIDOHNKPNJV-VHSXEESVSA-N 0 3 212.293 0.328 20 0 BCADHN CCN1CC[C@H](CNC(=O)[C@@H]2CCC(=O)C2)C1 ZINC000648743687 388781291 /nfs/dbraw/zinc/78/12/91/388781291.db2.gz OBPKFPULZAUYFP-GHMZBOCLSA-N 0 3 238.331 0.814 20 0 BCADHN C[C@@H](O)CCN(C)C(=O)CN1CCC(C)(C)C1 ZINC000553521269 388782187 /nfs/dbraw/zinc/78/21/87/388782187.db2.gz XOKVPICHKSKBNL-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CN[C@@H](C)C(=O)NCC1CCSCC1 ZINC000229271222 388784678 /nfs/dbraw/zinc/78/46/78/388784678.db2.gz TYDJTXWFKKHCGJ-QMMMGPOBSA-N 0 3 216.350 0.854 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@H](C)[C@@H](C)OC ZINC000229375781 388787200 /nfs/dbraw/zinc/78/72/00/388787200.db2.gz LGVSAHINKWALPH-KXUCPTDWSA-N 0 3 216.325 0.914 20 0 BCADHN C[C@H]1CCN([C@H]2CC(=O)NC2=O)CC1(C)C ZINC000572539199 388789593 /nfs/dbraw/zinc/78/95/93/388789593.db2.gz YTCZDMJWZAZIJV-IUCAKERBSA-N 0 3 224.304 0.770 20 0 BCADHN Nc1cc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)ccn1 ZINC000252869365 388789772 /nfs/dbraw/zinc/78/97/72/388789772.db2.gz NTHDYZYNRSYVFI-SDDRHHMPSA-N 0 3 233.315 0.867 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)Cn2ccnc2)CN1C1CC1 ZINC000555228184 388843643 /nfs/dbraw/zinc/84/36/43/388843643.db2.gz UYGDGDXKFIIGHQ-MNOVXSKESA-N 0 3 248.330 0.625 20 0 BCADHN COC(=O)[C@](C)(O)CN1CCC[C@@H]([C@H](C)O)C1 ZINC000554499115 388817387 /nfs/dbraw/zinc/81/73/87/388817387.db2.gz XZWWUFXAYFJQSO-HOSYDEDBSA-N 0 3 245.319 0.003 20 0 BCADHN CCN(CCOC)C(=O)CN1CC[C@H](C)C1 ZINC000554602611 388824205 /nfs/dbraw/zinc/82/42/05/388824205.db2.gz YICAMLSCXFJQIN-NSHDSACASA-N 0 3 228.336 0.823 20 0 BCADHN COCCNC(=O)CN1CC[C@H](C)C1 ZINC000554597380 388824248 /nfs/dbraw/zinc/82/42/48/388824248.db2.gz FFEWDGUDRJQPRI-VIFPVBQESA-N 0 3 200.282 0.091 20 0 BCADHN CN1CCC[C@H](N2CCC[C@@](C)(O)C2)C1=O ZINC000540911864 388825354 /nfs/dbraw/zinc/82/53/54/388825354.db2.gz UXYFRPDSWORSQS-CMPLNLGQSA-N 0 3 226.320 0.454 20 0 BCADHN C[C@H]1CN([C@@H]2CCCN(C)C2=O)CCCO1 ZINC000540910904 388826366 /nfs/dbraw/zinc/82/63/66/388826366.db2.gz CLUQMCPFZBMZTC-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)N2CCOCC2)C1 ZINC000540935283 388827490 /nfs/dbraw/zinc/82/74/90/388827490.db2.gz ZODKKDMGYALKLA-LLVKDONJSA-N 0 3 241.335 0.370 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@H]([C@@H](C)O)C1)N(C)C ZINC000129309028 388831602 /nfs/dbraw/zinc/83/16/02/388831602.db2.gz XYGLHSPGJBQFLN-GRYCIOLGSA-N 0 3 242.363 0.946 20 0 BCADHN C[C@@H]1CN(c2ccncc2C(N)=O)C[C@H](C)N1C ZINC000555219773 388842262 /nfs/dbraw/zinc/84/22/62/388842262.db2.gz FAJIBKUVWKLWQK-AOOOYVTPSA-N 0 3 248.330 0.709 20 0 BCADHN COC1(C(=O)NC[C@H](C)N2CCCC2)CC1 ZINC000648770677 388859546 /nfs/dbraw/zinc/85/95/46/388859546.db2.gz WNBUZLNEWAFMBA-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CNCC(=O)NCc1nc(C)c(C)s1 ZINC000082256323 135431427 /nfs/dbraw/zinc/43/14/27/135431427.db2.gz GJPGSHYDXKABTC-UHFFFAOYSA-N 0 3 213.306 0.596 20 0 BCADHN Cn1cc(O)nc1Nc1ncnc2n[nH]cc21 ZINC000163086472 388860286 /nfs/dbraw/zinc/86/02/86/388860286.db2.gz ZKWFCXFSCWUJAA-UHFFFAOYSA-N 0 3 231.219 0.536 20 0 BCADHN COCCOCCN(C)CC[C@@H](C)O ZINC000129663422 388863605 /nfs/dbraw/zinc/86/36/05/388863605.db2.gz GICGPFKTOWESIG-SNVBAGLBSA-N 0 3 205.298 0.352 20 0 BCADHN COCC[C@@H](C)N1CCN2CCOC[C@H]2C1 ZINC000541699828 388865179 /nfs/dbraw/zinc/86/51/79/388865179.db2.gz DOCOTGUQKRRSPG-VXGBXAGGSA-N 0 3 228.336 0.428 20 0 BCADHN C[C@@H](NC(=O)NC[C@@]1(O)CCN(C)C1)C1CC1 ZINC000564597972 388880443 /nfs/dbraw/zinc/88/04/43/388880443.db2.gz CJJNEXVGYMNQOD-SKDRFNHKSA-N 0 3 241.335 0.151 20 0 BCADHN N[C@@H](CC(F)F)C(=O)N1CCOC[C@H]1C1CC1 ZINC000564803899 388890202 /nfs/dbraw/zinc/89/02/02/388890202.db2.gz NCKHRMBDYMXGNI-IUCAKERBSA-N 0 3 248.273 0.606 20 0 BCADHN CS[C@@H](C)C(=O)NC[C@](C)(O)CN(C)C ZINC000152904455 388891248 /nfs/dbraw/zinc/89/12/48/388891248.db2.gz ALLSAEUUGTYJMT-WPRPVWTQSA-N 0 3 234.365 0.167 20 0 BCADHN CCn1cc(CN(C)C(=O)[C@@H](N)C(C)C)cn1 ZINC000564918565 388896701 /nfs/dbraw/zinc/89/67/01/388896701.db2.gz XCCCWFQQLBXXGA-NSHDSACASA-N 0 3 238.335 0.845 20 0 BCADHN C[C@@H]1C[C@H](NCc2cnc3cnccn23)CO1 ZINC000564960662 388902036 /nfs/dbraw/zinc/90/20/36/388902036.db2.gz FRIOYBXZGUBUBS-ZJUUUORDSA-N 0 3 232.287 0.996 20 0 BCADHN COC(=O)[C@H](NC(=O)[C@@H](C)N)C1CCCCC1 ZINC000564990661 388906185 /nfs/dbraw/zinc/90/61/85/388906185.db2.gz WWTPYQZMTPMGBY-PSASIEDQSA-N 0 3 242.319 0.572 20 0 BCADHN NCC(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000564993677 388907055 /nfs/dbraw/zinc/90/70/55/388907055.db2.gz MYWXKTCPILZAAT-VHSXEESVSA-N 0 3 214.309 0.393 20 0 BCADHN Cn1cc(-c2noc([C@H]3CCN(C)C3)n2)nn1 ZINC000565304447 388935880 /nfs/dbraw/zinc/93/58/80/388935880.db2.gz RXFWETKZTUXCCG-ZETCQYMHSA-N 0 3 234.263 0.284 20 0 BCADHN CN1CCC[C@H](CNC(=O)[C@H]2CCC(=O)C2)C1 ZINC000565011519 388908769 /nfs/dbraw/zinc/90/87/69/388908769.db2.gz FIDLCCMWYMQBLQ-MNOVXSKESA-N 0 3 238.331 0.814 20 0 BCADHN CN(CC(F)(F)F)C(=O)C(N)C(F)(F)F ZINC000565038244 388910324 /nfs/dbraw/zinc/91/03/24/388910324.db2.gz AGZMLFWQKRZHIJ-VKHMYHEASA-N 0 3 238.131 0.897 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)[C@H]1O[C@H](C)C[C@@H]1C ZINC000565138861 388917421 /nfs/dbraw/zinc/91/74/21/388917421.db2.gz MPYMIDYNXWQNEM-MMWGEVLESA-N 0 3 228.336 0.866 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCOCC23CC3)C1 ZINC000565204153 388925372 /nfs/dbraw/zinc/92/53/72/388925372.db2.gz KPZDOHNEYDYFCC-LLVKDONJSA-N 0 3 238.331 0.720 20 0 BCADHN C[C@H](CO)N(C)C(=O)CN1CCC(C)(C)C1 ZINC000565204652 388925760 /nfs/dbraw/zinc/92/57/60/388925760.db2.gz NOGUQVFXELTFML-SNVBAGLBSA-N 0 3 228.336 0.558 20 0 BCADHN Cc1c[nH]nc1CN[C@H](C)CC[S@@](C)=O ZINC000289633370 177676522 /nfs/dbraw/zinc/67/65/22/177676522.db2.gz XCHMBIFLQCLCJK-RFAUZJTJSA-N 0 3 229.349 0.965 20 0 BCADHN Cc1ncc(CNC[C@]2(C)CCC(=O)N2)n1C ZINC000565242564 388931351 /nfs/dbraw/zinc/93/13/51/388931351.db2.gz PBTNMWPNTOSYQA-LBPRGKRZSA-N 0 3 236.319 0.487 20 0 BCADHN CC(C)NCC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000565248612 388932374 /nfs/dbraw/zinc/93/23/74/388932374.db2.gz APXORJYAWVXFLK-GMTAPVOTSA-N 0 3 226.320 0.668 20 0 BCADHN Cc1ncc(CNCCn2ccnc2)n1C ZINC000565315914 388937044 /nfs/dbraw/zinc/93/70/44/388937044.db2.gz YARMFFZKWJRSCU-UHFFFAOYSA-N 0 3 219.292 0.715 20 0 BCADHN CN[C@@H](C)C(=O)NCCOCC1CCC1 ZINC000565726898 388965452 /nfs/dbraw/zinc/96/54/52/388965452.db2.gz UNASFCBUOCZDOU-VIFPVBQESA-N 0 3 214.309 0.527 20 0 BCADHN C[C@@H](O)CCCN1CCC[C@@]12CCNC2=O ZINC000565313248 388937228 /nfs/dbraw/zinc/93/72/28/388937228.db2.gz OXPHHCOQGOMTGL-PWSUYJOCSA-N 0 3 226.320 0.502 20 0 BCADHN CCN(CC)CC(=O)N1CCC[C@@](C)(O)C1 ZINC000153076930 388937353 /nfs/dbraw/zinc/93/73/53/388937353.db2.gz 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ZINC000168648948 134238117 /nfs/dbraw/zinc/23/81/17/134238117.db2.gz HRCMUZMREBGQPJ-SNVBAGLBSA-N 0 3 216.325 0.822 20 0 BCADHN C[C@H](N)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000169809072 134251821 /nfs/dbraw/zinc/25/18/21/134251821.db2.gz VTDNHDXCPNXHBR-QMMMGPOBSA-N 0 3 222.292 0.463 20 0 BCADHN C[C@@H](N)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000169809071 134251830 /nfs/dbraw/zinc/25/18/30/134251830.db2.gz VTDNHDXCPNXHBR-MRVPVSSYSA-N 0 3 222.292 0.463 20 0 BCADHN CC(C)N(C)CC(=O)N(C)C[C@H]1CCCO1 ZINC000170692590 134253231 /nfs/dbraw/zinc/25/32/31/134253231.db2.gz AYKGIZUBNNVFRE-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000171180150 134255760 /nfs/dbraw/zinc/25/57/60/134255760.db2.gz TXPKYPKJVSJCCN-VHSXEESVSA-N 0 3 240.303 0.006 20 0 BCADHN CCCN(C)CC(=O)N(C)CC(=O)OCC ZINC000171614515 134256943 /nfs/dbraw/zinc/25/69/43/134256943.db2.gz OMSXJPSGYAALBX-UHFFFAOYSA-N 0 3 230.308 0.350 20 0 BCADHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCCOC2)C1 ZINC000171611036 134259509 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BCADHN CC(C)COC[C@H](O)CN1CCC(C)(O)CC1 ZINC000177544229 134298801 /nfs/dbraw/zinc/29/88/01/134298801.db2.gz PUVAFSIAZJKAIQ-GFCCVEGCSA-N 0 3 245.363 0.867 20 0 BCADHN Cc1nnc(CN2CCN3CCCC[C@@H]3C2)n1C ZINC000177752869 134299884 /nfs/dbraw/zinc/29/98/84/134299884.db2.gz MKEZFWVHWCUKHA-GFCCVEGCSA-N 0 3 249.362 0.794 20 0 BCADHN CC(C)(C)C(=O)NC[C@H]1CCCN(CCO)C1 ZINC000177721260 134301590 /nfs/dbraw/zinc/30/15/90/134301590.db2.gz RVKYIRJZNDQBGY-LLVKDONJSA-N 0 3 242.363 0.853 20 0 BCADHN O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCCCN1 ZINC000178023404 134302712 /nfs/dbraw/zinc/30/27/12/134302712.db2.gz VBRQREUTGPEVTP-PWSUYJOCSA-N 0 3 248.330 0.525 20 0 BCADHN COC[C@@H](C)CNC(=O)[C@]1(F)CCNC1 ZINC000178459916 134307072 /nfs/dbraw/zinc/30/70/72/134307072.db2.gz UJODFSYQVRHCHF-WPRPVWTQSA-N 0 3 218.272 0.087 20 0 BCADHN O=C(NC1CCSCC1)[C@]1(F)CCNC1 ZINC000178490895 134307386 /nfs/dbraw/zinc/30/73/86/134307386.db2.gz WZDHTICWYVBQBC-JTQLQIEISA-N 0 3 232.324 0.700 20 0 BCADHN CNCC(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000178433396 134310618 /nfs/dbraw/zinc/31/06/18/134310618.db2.gz CTJJRFLBFMQKOJ-SECBINFHSA-N 0 3 222.288 0.576 20 0 BCADHN C[C@@H](N)C(=O)N1CCN(C)CC12CCCCC2 ZINC000178864059 134315629 /nfs/dbraw/zinc/31/56/29/134315629.db2.gz IOOAPSVKANAUGE-LLVKDONJSA-N 0 3 239.363 0.811 20 0 BCADHN COCCO[C@H]1CCCN(C[C@H](O)COC)C1 ZINC000179359558 134316724 /nfs/dbraw/zinc/31/67/24/134316724.db2.gz SEPUWJXDARESQA-RYUDHWBXSA-N 0 3 247.335 0.121 20 0 BCADHN C[C@]1(O)CCN([C@@H]2CCCCNC2=O)C1 ZINC000179303358 134319619 /nfs/dbraw/zinc/31/96/19/134319619.db2.gz DQLGZOPNGMLIHE-KOLCDFICSA-N 0 3 212.293 0.112 20 0 BCADHN CNC(=O)CCN(C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000179525555 134321471 /nfs/dbraw/zinc/32/14/71/134321471.db2.gz DSKOJPSJMWIELJ-JSGCOSHPSA-N 0 3 248.326 0.713 20 0 BCADHN CCN1CCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000179591861 134321832 /nfs/dbraw/zinc/32/18/32/134321832.db2.gz SKAUXAYXDMLBBX-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN CNC(=O)CCN(C)Cc1ncccc1C ZINC000180468634 134327888 /nfs/dbraw/zinc/32/78/88/134327888.db2.gz KHBSHNRHYVNGJM-UHFFFAOYSA-N 0 3 221.304 0.958 20 0 BCADHN Cc1cncc(CN[C@H](C)CC(N)=O)c1 ZINC000222603697 134333720 /nfs/dbraw/zinc/33/37/20/134333720.db2.gz VDYSFURDPBKFQR-SECBINFHSA-N 0 3 207.277 0.744 20 0 BCADHN CCCCN(CC(N)=O)C[C@H](C)OC ZINC000182066040 134341450 /nfs/dbraw/zinc/34/14/50/134341450.db2.gz ZLZCXFGUXRGWLH-VIFPVBQESA-N 0 3 202.298 0.609 20 0 BCADHN CO[C@H](C)CN1CCC[C@H](NC(C)=O)C1 ZINC000182067707 134341659 /nfs/dbraw/zinc/34/16/59/134341659.db2.gz HQGFRKJXFASLMO-KOLCDFICSA-N 0 3 214.309 0.622 20 0 BCADHN COC(=O)[C@H]1CCCN(C[C@H](C)OC)C1 ZINC000182118378 134342043 /nfs/dbraw/zinc/34/20/43/134342043.db2.gz IYCKIRGABICMRL-UWVGGRQHSA-N 0 3 215.293 0.906 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000223803936 134343171 /nfs/dbraw/zinc/34/31/71/134343171.db2.gz JKAHOAFTVFOSLV-OUAUKWLOSA-N 0 3 249.376 0.560 20 0 BCADHN CO[C@@H](C)CN1CCOC2(CCOCC2)C1 ZINC000182243134 134343350 /nfs/dbraw/zinc/34/33/50/134343350.db2.gz IMFJOMQJNNDVHE-NSHDSACASA-N 0 3 229.320 0.903 20 0 BCADHN COC(C)(C)C(=O)NC[C@@H](C)N(C)C ZINC000224038446 134344615 /nfs/dbraw/zinc/34/46/15/134344615.db2.gz BSMLQVZICUJPGU-MRVPVSSYSA-N 0 3 202.298 0.478 20 0 BCADHN CCC[C@H](N)C(=O)Nc1cnc(N(C)C)nc1 ZINC000182706899 134347963 /nfs/dbraw/zinc/34/79/63/134347963.db2.gz FMUCNHCYEUVSOX-VIFPVBQESA-N 0 3 237.307 0.609 20 0 BCADHN CN1CCCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000225427151 134353676 /nfs/dbraw/zinc/35/36/76/134353676.db2.gz FARZQQNNUBVSKS-MRVPVSSYSA-N 0 3 226.242 0.547 20 0 BCADHN CCC[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](CO)C1 ZINC000225979319 134357952 /nfs/dbraw/zinc/35/79/52/134357952.db2.gz CJWIEZGZWIHHSL-SDDRHHMPSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1CN(C)CCN1CCCCCO ZINC000225915046 134360128 /nfs/dbraw/zinc/36/01/28/134360128.db2.gz XYLNNYNBXVQFDI-LLVKDONJSA-N 0 3 200.326 0.785 20 0 BCADHN CNC(=O)C(C)(C)CNC(=O)[C@@H](N)CC(C)C ZINC000226691779 134368308 /nfs/dbraw/zinc/36/83/08/134368308.db2.gz HZZMAUBSSXBBHZ-VIFPVBQESA-N 0 3 243.351 0.248 20 0 BCADHN C[C@H]1CN(C)CCN1CCC(C)(C)O ZINC000226754526 134370867 /nfs/dbraw/zinc/37/08/67/134370867.db2.gz AIIVUYOPUYWBCL-JTQLQIEISA-N 0 3 200.326 0.783 20 0 BCADHN COC[C@H](O)CN(C)[C@@H]1CCCOC1 ZINC000227080809 134374157 /nfs/dbraw/zinc/37/41/57/134374157.db2.gz JHDVCQCFPGIJCD-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN COCCN(C)CCNC(=O)[C@H]1C[C@H]1C(C)C ZINC000185269867 134375884 /nfs/dbraw/zinc/37/58/84/134375884.db2.gz MBHRPWFASJSRDB-RYUDHWBXSA-N 0 3 242.363 0.973 20 0 BCADHN OCCOCCCNCc1cn2ccccc2n1 ZINC000227333765 134378012 /nfs/dbraw/zinc/37/80/12/134378012.db2.gz QCFPLKYFJSDEOB-UHFFFAOYSA-N 0 3 249.314 0.823 20 0 BCADHN CCN(CC(C)C)C(=O)[C@H](CN)OC ZINC000227348095 134378200 /nfs/dbraw/zinc/37/82/00/134378200.db2.gz DXKSPHUQCACOFB-VIFPVBQESA-N 0 3 202.298 0.465 20 0 BCADHN CO[C@@H](CN)C(=O)NCCCC(C)C ZINC000227370507 134378776 /nfs/dbraw/zinc/37/87/76/134378776.db2.gz OZCUJLUIQCPMEC-VIFPVBQESA-N 0 3 202.298 0.513 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)[C@@H](CN)OC ZINC000227377701 134379025 /nfs/dbraw/zinc/37/90/25/134379025.db2.gz UZWUJUNFWYPTJQ-XHNCKOQMSA-N 0 3 202.298 0.511 20 0 BCADHN CCCn1cc(CNCCC(=O)N(C)C)cn1 ZINC000227286237 134379600 /nfs/dbraw/zinc/37/96/00/134379600.db2.gz IZUWNUAXUONWLQ-UHFFFAOYSA-N 0 3 238.335 0.861 20 0 BCADHN CCCC(C)(C)NC(=O)[C@H](CN)OC ZINC000227404724 134381051 /nfs/dbraw/zinc/38/10/51/134381051.db2.gz VOHSGQMVJXFSKQ-QMMMGPOBSA-N 0 3 202.298 0.655 20 0 BCADHN C[C@@H](O)CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000408070615 134385863 /nfs/dbraw/zinc/38/58/63/134385863.db2.gz KCODXIJPSMOFKE-LPEHRKFASA-N 0 3 214.309 0.356 20 0 BCADHN CCCNC(=O)CN(C)CCCCCO ZINC000227876188 134391547 /nfs/dbraw/zinc/39/15/47/134391547.db2.gz WPQBKJJZCBMLIZ-UHFFFAOYSA-N 0 3 216.325 0.607 20 0 BCADHN COC(=O)[C@@H](C)CN1CCCOCC1 ZINC000061919490 134393248 /nfs/dbraw/zinc/39/32/48/134393248.db2.gz KYVSGLBEFRJHPN-VIFPVBQESA-N 0 3 201.266 0.518 20 0 BCADHN COC(=O)[C@H](C)CN1CCCO[C@H](C)C1 ZINC000061919422 134393512 /nfs/dbraw/zinc/39/35/12/134393512.db2.gz GZPPMGZAGNHPRK-NXEZZACHSA-N 0 3 215.293 0.906 20 0 BCADHN CN(C)C(=O)CN(C)CC1(N(C)C)CCC1 ZINC000186937424 134441002 /nfs/dbraw/zinc/44/10/02/134441002.db2.gz VTOYCOJSTWENFD-UHFFFAOYSA-N 0 3 227.352 0.491 20 0 BCADHN C[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)c1ccncc1 ZINC000188692491 134534005 /nfs/dbraw/zinc/53/40/05/134534005.db2.gz MGAFBYZMTYULSA-DVVUODLYSA-N 0 3 237.278 0.959 20 0 BCADHN CO[C@@H](C)C(=O)NCCN(C)C1CC1 ZINC000063831239 134562901 /nfs/dbraw/zinc/56/29/01/134562901.db2.gz MXUOFNZVAGNPEC-QMMMGPOBSA-N 0 3 200.282 0.232 20 0 BCADHN C[C@@H](NCCOCCO)c1ccnn1C ZINC000235212331 134590204 /nfs/dbraw/zinc/59/02/04/134590204.db2.gz SYKWIONDRJBGIG-SECBINFHSA-N 0 3 213.281 0.080 20 0 BCADHN CNCC(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000193134640 134594968 /nfs/dbraw/zinc/59/49/68/134594968.db2.gz KLGQRLDDSJBNGE-VHSXEESVSA-N 0 3 212.293 0.233 20 0 BCADHN CC[C@H](C(=O)N1CC[C@](C)(C(N)=O)C1)N(C)C ZINC000408327703 134721438 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135196476 /nfs/dbraw/zinc/19/64/76/135196476.db2.gz QICBIDPDOZUTKO-SNVBAGLBSA-N 0 3 241.335 0.276 20 0 BCADHN CNCC(=O)NCC1(SC)CCOCC1 ZINC000261560337 135200951 /nfs/dbraw/zinc/20/09/51/135200951.db2.gz ZSECIBNJDABKDF-UHFFFAOYSA-N 0 3 232.349 0.234 20 0 BCADHN C[C@@H]1CN(C(=O)C(N)C(F)(F)F)C[C@H]1C ZINC000261561515 135202871 /nfs/dbraw/zinc/20/28/71/135202871.db2.gz AQXMLWSUMCJKHY-QYNIQEEDSA-N 0 3 224.226 0.990 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000261561837 135203642 /nfs/dbraw/zinc/20/36/42/135203642.db2.gz AXBIEAAWKVVRFG-ZDCRXTMVSA-N 0 3 228.336 0.901 20 0 BCADHN Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H](C)N ZINC000261562820 135204516 /nfs/dbraw/zinc/20/45/16/135204516.db2.gz BPQINLGWCFQKNS-RNFRBKRXSA-N 0 3 210.281 0.253 20 0 BCADHN NC(C(=O)NC1CCOCC1)C(F)(F)F ZINC000261566009 135207517 /nfs/dbraw/zinc/20/75/17/135207517.db2.gz DFPWNESAXPSNKW-LURJTMIESA-N 0 3 226.198 0.171 20 0 BCADHN CN(C[C@H]1CCOC1)C(=O)[C@@H](N)C(C)(C)C ZINC000163827958 135208487 /nfs/dbraw/zinc/20/84/87/135208487.db2.gz QVFVUVBCTJISCO-NXEZZACHSA-N 0 3 228.336 0.855 20 0 BCADHN Cc1csc(CNC(=O)[C@@]2(F)CCNC2)n1 ZINC000164039710 135212314 /nfs/dbraw/zinc/21/23/14/135212314.db2.gz QUOINRBQVMFAIY-SNVBAGLBSA-N 0 3 243.307 0.769 20 0 BCADHN O[C@@H]1CCCC[C@@H]1N1CC(O)(C2CC2)C1 ZINC000084377200 135215426 /nfs/dbraw/zinc/21/54/26/135215426.db2.gz SHMRJZUPJCYQBX-WDEREUQCSA-N 0 3 211.305 0.747 20 0 BCADHN Cn1cccc1CNC[C@@H](O)[C@H]1CCOC1 ZINC000164206078 135216206 /nfs/dbraw/zinc/21/62/06/135216206.db2.gz SZIUGNWHDVGKOK-CMPLNLGQSA-N 0 3 224.304 0.512 20 0 BCADHN NC1(C(=O)N2CCC3(C2)CCOCC3)CC1 ZINC000261578900 135219552 /nfs/dbraw/zinc/21/95/52/135219552.db2.gz LZMSQYYDTGLHRR-UHFFFAOYSA-N 0 3 224.304 0.507 20 0 BCADHN CC(C)[C@H](O)C1(CNC(=O)[C@@H](C)N)CC1 ZINC000261579915 135220768 /nfs/dbraw/zinc/22/07/68/135220768.db2.gz MPAIUDJYNJOPSU-BDAKNGLRSA-N 0 3 214.309 0.247 20 0 BCADHN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H](CN)OC ZINC000261583005 135224485 /nfs/dbraw/zinc/22/44/85/135224485.db2.gz OSYOCYBDTRNYQF-LPEHRKFASA-N 0 3 246.376 0.751 20 0 BCADHN Cc1ccc(S(=O)(=O)[N-]C(C)(C)C[NH3+])o1 ZINC000261584516 135226390 /nfs/dbraw/zinc/22/63/90/135226390.db2.gz PWMRAYMBMLSQLL-UHFFFAOYSA-N 0 3 232.305 0.604 20 0 BCADHN O=S(=O)([N-]C[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000261546367 135238252 /nfs/dbraw/zinc/23/82/52/135238252.db2.gz KWZXKPSGBOAHFZ-QMMMGPOBSA-N 0 3 230.289 0.310 20 0 BCADHN CN(C(=O)C(N)C(F)(F)F)[C@H]1CCOC1 ZINC000261546313 135238837 /nfs/dbraw/zinc/23/88/37/135238837.db2.gz KUABHTIZPLPHKX-WDSKDSINSA-N 0 3 226.198 0.123 20 0 BCADHN CC[C@]1(C)CCN(C(=O)[C@H](CN)OC)C1 ZINC000261547530 135240016 /nfs/dbraw/zinc/24/00/16/135240016.db2.gz MKBTUVHAXOTWBV-GXSJLCMTSA-N 0 3 214.309 0.609 20 0 BCADHN C[C@H](N)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000261548141 135242099 /nfs/dbraw/zinc/24/20/99/135242099.db2.gz NDRXVNZUONWPHX-XPUUQOCRSA-N 0 3 208.265 0.251 20 0 BCADHN O=S(=O)([N-]C[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000261668100 135245157 /nfs/dbraw/zinc/24/51/57/135245157.db2.gz JZJIGLRDQANBKZ-VIFPVBQESA-N 0 3 244.316 0.558 20 0 BCADHN C[C@@H](N)C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000261697541 135246687 /nfs/dbraw/zinc/24/66/87/135246687.db2.gz CLSHARPGQOTILZ-BBBLOLIVSA-N 0 3 241.335 0.097 20 0 BCADHN C[C@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000261755721 135249824 /nfs/dbraw/zinc/24/98/24/135249824.db2.gz WYGPGAPRRILHQN-DTWKUNHWSA-N 0 3 244.316 0.556 20 0 BCADHN C[C@@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000261755726 135249973 /nfs/dbraw/zinc/24/99/73/135249973.db2.gz WYGPGAPRRILHQN-RKDXNWHRSA-N 0 3 244.316 0.556 20 0 BCADHN C[C@H](CN(C)C)NCc1cnc2cnccn12 ZINC000342228656 135253963 /nfs/dbraw/zinc/25/39/63/135253963.db2.gz YZQRFTTUUNCXNM-SNVBAGLBSA-N 0 3 233.319 0.769 20 0 BCADHN Cn1cncc1CNC[C@H](CO)c1cccnc1 ZINC000342306126 135258345 /nfs/dbraw/zinc/25/83/45/135258345.db2.gz QQCDLHWTTRPSST-GFCCVEGCSA-N 0 3 246.314 0.681 20 0 BCADHN CCN(C)CCNC(=O)NCCOCC1CC1 ZINC000342308898 135258581 /nfs/dbraw/zinc/25/85/81/135258581.db2.gz UQWZGRCLDPYRLG-UHFFFAOYSA-N 0 3 243.351 0.664 20 0 BCADHN O=C(NC1CC1)[C@H]1CCCN1C[C@H]1CCOC1 ZINC000342363552 135263272 /nfs/dbraw/zinc/26/32/72/135263272.db2.gz AGHVTBVSARKBRX-ZYHUDNBSSA-N 0 3 238.331 0.766 20 0 BCADHN Cc1cc(C(=O)NCCN2CCCC2)cnn1 ZINC000342319486 135264297 /nfs/dbraw/zinc/26/42/97/135264297.db2.gz WHUZTSWTVDBVPC-UHFFFAOYSA-N 0 3 234.303 0.611 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCCO ZINC000342340486 135265240 /nfs/dbraw/zinc/26/52/40/135265240.db2.gz QYAAFLHMTGRFJR-MWLCHTKSSA-N 0 3 241.335 0.151 20 0 BCADHN Cn1ccnc1[C@H]1CNCCN1CC1CC1 ZINC000262016501 135273082 /nfs/dbraw/zinc/27/30/82/135273082.db2.gz MTMBPGOGWAUUIF-LLVKDONJSA-N 0 3 220.320 0.776 20 0 BCADHN CCOCC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342460190 135276658 /nfs/dbraw/zinc/27/66/58/135276658.db2.gz DIOXTIVXHURJMW-KOLCDFICSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CCOC1 ZINC000342461972 135276674 /nfs/dbraw/zinc/27/66/74/135276674.db2.gz ALXHHFAGSPKKDO-CKYFFXLPSA-N 0 3 238.331 0.622 20 0 BCADHN CSCC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342458431 135276759 /nfs/dbraw/zinc/27/67/59/135276759.db2.gz ARYDVLHAQGXNJB-SCZZXKLOSA-N 0 3 228.361 0.948 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000342544515 135295132 /nfs/dbraw/zinc/29/51/32/135295132.db2.gz LBMXHJLGSYXQHL-OPRDCNLKSA-N 0 3 245.392 0.228 20 0 BCADHN C[C@@H](C[S@](C)=O)N(C)CCC(=O)N(C)C ZINC000342628700 135297481 /nfs/dbraw/zinc/29/74/81/135297481.db2.gz GXYAJRHSNVNSCZ-VFZGTOFNSA-N 0 3 234.365 0.164 20 0 BCADHN C[C@H](C[S@](C)=O)N(C)CC1(C)COC1 ZINC000342635298 135298855 /nfs/dbraw/zinc/29/88/55/135298855.db2.gz QDJOFGOWGQILLW-OTYXRUKQSA-N 0 3 219.350 0.722 20 0 BCADHN Cc1nccn1CCN1CCC[C@@H]1C(N)=O ZINC000342603826 135302246 /nfs/dbraw/zinc/30/22/46/135302246.db2.gz CCWLQVJWPZCZBZ-SNVBAGLBSA-N 0 3 222.292 0.141 20 0 BCADHN CN(CC[C@@H]1CCCO1)[C@@H]1CCNC1=O ZINC000342609937 135302702 /nfs/dbraw/zinc/30/27/02/135302702.db2.gz WRADDZYOMYFNRD-VHSXEESVSA-N 0 3 212.293 0.376 20 0 BCADHN C[C@@H](C(=O)N(C)C)N(C)CC[C@H]1CCCO1 ZINC000342612546 135303561 /nfs/dbraw/zinc/30/35/61/135303561.db2.gz YIZVGRRBNAOALB-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN CO[C@@H]1C[C@@H](NC(=O)NCCN(C)C)C1(C)C ZINC000342677955 135304008 /nfs/dbraw/zinc/30/40/08/135304008.db2.gz KSRGXRUDUJOQLZ-NXEZZACHSA-N 0 3 243.351 0.661 20 0 BCADHN CN(CCCCC(=O)OC(C)(C)C)CC(N)=O ZINC000342692153 135305663 /nfs/dbraw/zinc/30/56/63/135305663.db2.gz JICDCHFXXPHUJF-UHFFFAOYSA-N 0 3 244.335 0.916 20 0 BCADHN NC(=O)CCCN[C@H](C(N)=O)c1ccccc1 ZINC000079303193 135306358 /nfs/dbraw/zinc/30/63/58/135306358.db2.gz GLHQLEBPJYQEQJ-NSHDSACASA-N 0 3 235.287 0.068 20 0 BCADHN CS[C@@H]1CN(c2nnc(C)o2)C[C@H]1N(C)C ZINC000342696456 135306464 /nfs/dbraw/zinc/30/64/64/135306464.db2.gz BBPGEMSSXSKNBV-RKDXNWHRSA-N 0 3 242.348 0.860 20 0 BCADHN C[C@@H](Cn1ccnc1)NC(=O)NCCN(C)C ZINC000342666322 135308658 /nfs/dbraw/zinc/30/86/58/135308658.db2.gz SEOYSFFYXQXINH-JTQLQIEISA-N 0 3 239.323 0.132 20 0 BCADHN COCCNCC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000262628184 135309251 /nfs/dbraw/zinc/30/92/51/135309251.db2.gz MCUKYUMUBOPPFC-AOOOYVTPSA-N 0 3 226.320 0.337 20 0 BCADHN CC[C@@H]1C[C@H](C)CN1C(=O)CNCCOC ZINC000262629591 135309705 /nfs/dbraw/zinc/30/97/05/135309705.db2.gz KHVJDZPEVNRJTQ-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN CCCN(CCC)C(=O)[C@@H](N)CCC(=O)OC ZINC000342750853 135310978 /nfs/dbraw/zinc/31/09/78/135310978.db2.gz MDDQKFSYYFPTGT-JTQLQIEISA-N 0 3 244.335 0.916 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1C ZINC000342751409 135311497 /nfs/dbraw/zinc/31/14/97/135311497.db2.gz MRUSROHXPPQPGD-ZJUUUORDSA-N 0 3 242.319 0.668 20 0 BCADHN CCC[C@@H](C)N(C)C(=O)[C@H](N)CCC(=O)OC ZINC000342748950 135311567 /nfs/dbraw/zinc/31/15/67/135311567.db2.gz JWGJXRFAJOOSHP-NXEZZACHSA-N 0 3 244.335 0.914 20 0 BCADHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C(N)=O ZINC000342755439 135312024 /nfs/dbraw/zinc/31/20/24/135312024.db2.gz RCNWIDYJAVQROB-LNFKQOIKSA-N 0 3 238.331 0.798 20 0 BCADHN COCCNCCNC(=O)COC1CCCC1 ZINC000262660281 135312232 /nfs/dbraw/zinc/31/22/32/135312232.db2.gz MTMRKLOVSPPXDX-UHFFFAOYSA-N 0 3 244.335 0.298 20 0 BCADHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C(N)=O ZINC000342755441 135312244 /nfs/dbraw/zinc/31/22/44/135312244.db2.gz RCNWIDYJAVQROB-UKKRHICBSA-N 0 3 238.331 0.798 20 0 BCADHN C[C@H](CNC(=O)[C@@H]1CCNCC1(F)F)N(C)C ZINC000342710956 135312982 /nfs/dbraw/zinc/31/29/82/135312982.db2.gz PZZUOILWELUKSK-BDAKNGLRSA-N 0 3 249.305 0.298 20 0 BCADHN COC(=O)CC[C@H](N)C(=O)N1CCC(C)CC1 ZINC000342716247 135314126 /nfs/dbraw/zinc/31/41/26/135314126.db2.gz BMJLKGHPIISWAC-JTQLQIEISA-N 0 3 242.319 0.525 20 0 BCADHN C[C@H](O)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000342719790 135314577 /nfs/dbraw/zinc/31/45/77/135314577.db2.gz CKGBMZNFHCUHEG-DCAQKATOSA-N 0 3 226.320 0.452 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@@H]1CCCN(C)[C@@H]1C ZINC000342729210 135315570 /nfs/dbraw/zinc/31/55/70/135315570.db2.gz JQZIKSUTEUYTFU-QJPTWQEYSA-N 0 3 241.379 0.973 20 0 BCADHN NCC(F)(F)CNC(=O)[C@@H](N)c1ccccc1 ZINC000262721349 135315754 /nfs/dbraw/zinc/31/57/54/135315754.db2.gz VPPHCIKBPZLCMV-VIFPVBQESA-N 0 3 243.257 0.397 20 0 BCADHN CCCNC(=O)[C@H](C)N[C@@H]1CCCN(C)[C@H]1C ZINC000342729214 135316079 /nfs/dbraw/zinc/31/60/79/135316079.db2.gz JQZIKSUTEUYTFU-SDDRHHMPSA-N 0 3 241.379 0.973 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CCCCO1 ZINC000262789438 135318223 /nfs/dbraw/zinc/31/82/23/135318223.db2.gz MUQPHGRQMGOZLI-AXFHLTTASA-N 0 3 226.320 0.764 20 0 BCADHN Cc1cc(C(=O)N2CCN[C@H](C)[C@H]2C)on1 ZINC000262800118 135318697 /nfs/dbraw/zinc/31/86/97/135318697.db2.gz OYQWKFMSWQNFTA-RKDXNWHRSA-N 0 3 223.276 0.805 20 0 BCADHN C[C@H]1NCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000262816199 135320234 /nfs/dbraw/zinc/32/02/34/135320234.db2.gz RWWDBZHACNIAQT-MNOVXSKESA-N 0 3 239.363 0.537 20 0 BCADHN C[C@H]1NCCN(C(=O)C2CCN(C)CC2)[C@H]1C ZINC000262816199 135320235 /nfs/dbraw/zinc/32/02/35/135320235.db2.gz RWWDBZHACNIAQT-MNOVXSKESA-N 0 3 239.363 0.537 20 0 BCADHN CC(C)[C@H](C(=O)N1CC(C)(O)C1)N(C)C ZINC000334172174 135330994 /nfs/dbraw/zinc/33/09/94/135330994.db2.gz BPTGEEZJTKVXAZ-SECBINFHSA-N 0 3 214.309 0.166 20 0 BCADHN OC[C@@H]1CSCCN1C[C@H]1CCCO1 ZINC000334274141 135332215 /nfs/dbraw/zinc/33/22/15/135332215.db2.gz QDAUHULNGSNRPG-NXEZZACHSA-N 0 3 217.334 0.575 20 0 BCADHN CN(C)[C@H]1CCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263170313 135337337 /nfs/dbraw/zinc/33/73/37/135337337.db2.gz FQRUFNUPZULFLO-DTWKUNHWSA-N 0 3 247.289 0.146 20 0 BCADHN COCCN(C[C@@H]1CCCOC1)[C@@H](C)C(N)=O ZINC000342943792 135337574 /nfs/dbraw/zinc/33/75/74/135337574.db2.gz QZNRTDSGVOAHBM-QWRGUYRKSA-N 0 3 244.335 0.235 20 0 BCADHN CC(C(=O)N[C@@H]1CCC1(C)C)S(C)(=O)=O ZINC000334293820 135341184 /nfs/dbraw/zinc/34/11/84/135341184.db2.gz RFRXNRJKDIHNHK-HTQZYQBOSA-N 0 3 233.333 0.724 20 0 BCADHN C[C@H]1CCN(C)CCN1C(=O)CN(C)C ZINC000334294711 135341238 /nfs/dbraw/zinc/34/12/38/135341238.db2.gz UQJFOOBAGPKMJH-JTQLQIEISA-N 0 3 213.325 0.101 20 0 BCADHN C[C@@H](CNCc1ncc[nH]1)N1CCN(C)CC1 ZINC000342992348 135342821 /nfs/dbraw/zinc/34/28/21/135342821.db2.gz IRROEIDQFWBXCF-NSHDSACASA-N 0 3 237.351 0.135 20 0 BCADHN CC[C@H](CO)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000342966898 135345186 /nfs/dbraw/zinc/34/51/86/135345186.db2.gz SDVWZCNALFRYFF-ZJUUUORDSA-N 0 3 241.335 0.293 20 0 BCADHN CN1C[C@H]2CN(c3nnc(C4CC4)o3)C[C@@H]2C1 ZINC000343056282 135346305 /nfs/dbraw/zinc/34/63/05/135346305.db2.gz WRLZMHIWNYZHJJ-UWVGGRQHSA-N 0 3 234.303 0.945 20 0 BCADHN CCN1CCCN(C(=O)[C@H](O)C(C)C)CC1 ZINC000334324125 135353215 /nfs/dbraw/zinc/35/32/15/135353215.db2.gz ZYQKZRYKUMQJGB-LLVKDONJSA-N 0 3 228.336 0.558 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343133766 135359714 /nfs/dbraw/zinc/35/97/14/135359714.db2.gz RHOPYMHFWKNUBY-GRYCIOLGSA-N 0 3 237.347 0.149 20 0 BCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC1 ZINC000334343794 135364981 /nfs/dbraw/zinc/36/49/81/135364981.db2.gz ROFAJXORZQOZCA-ONGXEEELSA-N 0 3 223.320 0.884 20 0 BCADHN CCN1C[C@@H](C)N(C(=O)CN(C)C)C[C@@H]1C ZINC000334358946 135370716 /nfs/dbraw/zinc/37/07/16/135370716.db2.gz UTWIXYQEBOADHH-WDEREUQCSA-N 0 3 227.352 0.489 20 0 BCADHN CCOC[C@H](O)CN1CC[C@@H](C)[C@H](OC)C1 ZINC000299893013 135381376 /nfs/dbraw/zinc/38/13/76/135381376.db2.gz GOFQTXWTEBLVEH-IJLUTSLNSA-N 0 3 231.336 0.741 20 0 BCADHN CC(C)N(C)C(=O)CN1CC[C@H](C)[C@H]1CO ZINC000299906935 135381851 /nfs/dbraw/zinc/38/18/51/135381851.db2.gz GDERVOZARBWIIW-WDEREUQCSA-N 0 3 228.336 0.556 20 0 BCADHN CC[C@@](C)(CO)NCc1cnc(N(C)C)n1C ZINC000080886589 135384649 /nfs/dbraw/zinc/38/46/49/135384649.db2.gz OJXZWHACQNJDHD-LBPRGKRZSA-N 0 3 240.351 0.737 20 0 BCADHN C[C@H](C[S@@](C)=O)N[C@@H](C)c1cnn(C)c1 ZINC000164502144 135386572 /nfs/dbraw/zinc/38/65/72/135386572.db2.gz SFJGZCJTDAFOCQ-OLBFVZFUSA-N 0 3 229.349 0.838 20 0 BCADHN C[C@H]1CCCCN(CCS(=O)(=O)N(C)C)C1 ZINC000334398792 135387988 /nfs/dbraw/zinc/38/79/88/135387988.db2.gz MEZCGIGVXDTVPP-NSHDSACASA-N 0 3 248.392 1.000 20 0 BCADHN C[C@@H]1CN(C[C@@H]2CCCN2CCO)C[C@@H](C)O1 ZINC000081668208 135388527 /nfs/dbraw/zinc/38/85/27/135388527.db2.gz IWCFAPYQHWWKFG-UPJWGTAASA-N 0 3 242.363 0.552 20 0 BCADHN CCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000074970870 135390030 /nfs/dbraw/zinc/39/00/30/135390030.db2.gz ZITUSMBRAYFLKY-ZJUUUORDSA-N 0 3 232.349 0.505 20 0 BCADHN C[C@H]1CCCCN1CCCNS(N)(=O)=O ZINC000078884042 135395747 /nfs/dbraw/zinc/39/57/47/135395747.db2.gz MXHDOFDSMJAQIC-VIFPVBQESA-N 0 3 235.353 0.044 20 0 BCADHN CCNC(=O)CC(=O)N1CCN(C)CC[C@@H]1C ZINC000334411859 135395934 /nfs/dbraw/zinc/39/59/34/135395934.db2.gz UQZOKAUFNNAJFK-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN C[C@H](O)CCN1CCN(C)CC1(C)C ZINC000334412352 135396745 /nfs/dbraw/zinc/39/67/45/135396745.db2.gz VCRVQHUQINUDNJ-JTQLQIEISA-N 0 3 200.326 0.783 20 0 BCADHN C[C@H]1[C@H](C)N(CCc2cnn(C)c2)CCN1C ZINC000334426640 135397788 /nfs/dbraw/zinc/39/77/88/135397788.db2.gz WADJQKCTILVFDA-RYUDHWBXSA-N 0 3 236.363 0.987 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)C2(N)CCCC2)CO1 ZINC000335437013 135413061 /nfs/dbraw/zinc/41/30/61/135413061.db2.gz FXYJVLPJFUQUJT-DTWKUNHWSA-N 0 3 212.293 0.552 20 0 BCADHN C[C@H]1CN(CCn2cccn2)CC[C@@H]1O ZINC000164644286 135431642 /nfs/dbraw/zinc/43/16/42/135431642.db2.gz CFOAZPSGCUEDHA-QWRGUYRKSA-N 0 3 209.293 0.586 20 0 BCADHN COC(=O)c1cc(CNC[C@@H](O)C(F)F)c[nH]1 ZINC000344776162 135794965 /nfs/dbraw/zinc/79/49/65/135794965.db2.gz OVZMTJPQZMKIFB-MRVPVSSYSA-N 0 3 248.229 0.517 20 0 BCADHN FC1(F)CCNC[C@H]1NC[C@@H]1CCCOC1 ZINC000334849721 135822720 /nfs/dbraw/zinc/82/27/20/135822720.db2.gz ZIYJCEXRRLKRHK-VHSXEESVSA-N 0 3 234.290 1.000 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CCNC[C@](C)(F)C1 ZINC000334998752 135861751 /nfs/dbraw/zinc/86/17/51/135861751.db2.gz TUKWRTDLBRQLOD-SKDRFNHKSA-N 0 3 243.326 0.287 20 0 BCADHN Cn1cc(CN2CCNC[C@](C)(F)C2)cn1 ZINC000335255689 135986841 /nfs/dbraw/zinc/98/68/41/135986841.db2.gz IYLBMMUXNYWLSA-NSHDSACASA-N 0 3 226.299 0.554 20 0 BCADHN O=C(N[C@@H]1CNCCC1(F)F)N1CCOCC1 ZINC000335297805 136007272 /nfs/dbraw/zinc/00/72/72/136007272.db2.gz MZLMHPURDVYZTD-MRVPVSSYSA-N 0 3 249.261 0.025 20 0 BCADHN CCN1C[C@H](C)N(Cc2ncnn2C)[C@@H](C)C1 ZINC000347705140 136007684 /nfs/dbraw/zinc/00/76/84/136007684.db2.gz LZGINHFUUYDIRK-QWRGUYRKSA-N 0 3 237.351 0.730 20 0 BCADHN CCN(CCO)CCNC(=O)c1c[nH]cc1C ZINC000347794659 136010352 /nfs/dbraw/zinc/01/03/52/136010352.db2.gz PAKAVRCTSIPQPG-UHFFFAOYSA-N 0 3 239.319 0.367 20 0 BCADHN CCN(CCO)CCNC(=O)C1=C(C)CCC1 ZINC000347791907 136010461 /nfs/dbraw/zinc/01/04/61/136010461.db2.gz JTVXKVQSZBQKPS-UHFFFAOYSA-N 0 3 240.347 0.917 20 0 BCADHN C[C@@H](CNC(=O)[C@]1(C)CCOC1)N(C)C ZINC000347848721 136012230 /nfs/dbraw/zinc/01/22/30/136012230.db2.gz MNXWLZQNZOUDSF-GXSJLCMTSA-N 0 3 214.309 0.479 20 0 BCADHN CC(C)(C)[C@H]1CCN(CCOCCO)C[C@@H]1O ZINC000347803801 136013469 /nfs/dbraw/zinc/01/34/69/136013469.db2.gz ZDSPGNLACMBVTL-RYUDHWBXSA-N 0 3 245.363 0.724 20 0 BCADHN CSC1(CN(C)[C@@H]2CCNC2=O)CC1 ZINC000347908679 136015865 /nfs/dbraw/zinc/01/58/65/136015865.db2.gz HASXPUOFYQWJQS-MRVPVSSYSA-N 0 3 214.334 0.702 20 0 BCADHN COCC(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000347911311 136016022 /nfs/dbraw/zinc/01/60/22/136016022.db2.gz JWKYILCAWIJARL-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN COC(=O)c1cc(CNC[C@@H](C)CO)cn1C ZINC000347874221 136017101 /nfs/dbraw/zinc/01/71/01/136017101.db2.gz GYAAFBAPLPEAOH-SECBINFHSA-N 0 3 240.303 0.530 20 0 BCADHN COCCN(C)CCNC(=O)[C@]1(C)CCOC1 ZINC000347930379 136018624 /nfs/dbraw/zinc/01/86/24/136018624.db2.gz XKYFEPPJBLWGSB-GFCCVEGCSA-N 0 3 244.335 0.107 20 0 BCADHN CC(C)C[C@H](CO)NC(=O)C1CCN(C)CC1 ZINC000348001195 136020664 /nfs/dbraw/zinc/02/06/64/136020664.db2.gz JEOBZAASNSRGGL-GFCCVEGCSA-N 0 3 242.363 0.851 20 0 BCADHN CNC(=O)CCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000335313423 136031016 /nfs/dbraw/zinc/03/10/16/136031016.db2.gz VTPHJMUARBTKIY-ZJUUUORDSA-N 0 3 213.325 0.147 20 0 BCADHN CN1CC[C@]2(CCN(C(=O)Cn3cccn3)C2)C1 ZINC000335314541 136032137 /nfs/dbraw/zinc/03/21/37/136032137.db2.gz DPZZAGRGGLHNNT-ZDUSSCGKSA-N 0 3 248.330 0.437 20 0 BCADHN CCSCCN(C)[C@@H]1COC[C@@H]1O ZINC000348122413 136032773 /nfs/dbraw/zinc/03/27/73/136032773.db2.gz HXGYCNUABNFFDC-BDAKNGLRSA-N 0 3 205.323 0.431 20 0 BCADHN CCN(C)C(=O)CN1CCC[C@@H](N(C)C)C1 ZINC000348127847 136033169 /nfs/dbraw/zinc/03/31/69/136033169.db2.gz UDGLBZJVMGLYBU-LLVKDONJSA-N 0 3 227.352 0.491 20 0 BCADHN COC(=O)c1cc(CN[C@@H]2CCOC2)cn1C ZINC000348092829 136035821 /nfs/dbraw/zinc/03/58/21/136035821.db2.gz BJNKEOCQMPFFSW-SNVBAGLBSA-N 0 3 238.287 0.690 20 0 BCADHN COC[C@@H](O)CN1CCOC(C)(C)[C@@H]1C ZINC000348138811 136039026 /nfs/dbraw/zinc/03/90/26/136039026.db2.gz KELGWJKRJSQCJY-UWVGGRQHSA-N 0 3 217.309 0.493 20 0 BCADHN C[C@H](CN(C)C)NC(=O)Nc1cnn(C)c1 ZINC000348168501 136041977 /nfs/dbraw/zinc/04/19/77/136041977.db2.gz SAFIBOSYEHLQFM-MRVPVSSYSA-N 0 3 225.296 0.492 20 0 BCADHN Cn1cc(CNC[C@H]2CC[C@H](CO)O2)cn1 ZINC000348215189 136045961 /nfs/dbraw/zinc/04/59/61/136045961.db2.gz DUQNAQMMIISYJO-GHMZBOCLSA-N 0 3 225.292 0.050 20 0 BCADHN Cn1nccc1CNC[C@@H]1CC[C@@H](CO)O1 ZINC000348218486 136046781 /nfs/dbraw/zinc/04/67/81/136046781.db2.gz KUWKXRGRIAVVEZ-QWRGUYRKSA-N 0 3 225.292 0.050 20 0 BCADHN Cc1n[nH]cc1CNC[C@@H]1CC[C@H](CO)O1 ZINC000348220246 136047083 /nfs/dbraw/zinc/04/70/83/136047083.db2.gz MTTAHEOIFUJXBX-WDEREUQCSA-N 0 3 225.292 0.348 20 0 BCADHN CN(CCc1cnn(C)c1)CC1(CO)CC1 ZINC000348222475 136047907 /nfs/dbraw/zinc/04/79/07/136047907.db2.gz LIGNAEXNBKMGEX-UHFFFAOYSA-N 0 3 223.320 0.667 20 0 BCADHN COCCOCCOCCN(C)[C@@H]1CCOC1 ZINC000348189806 136048774 /nfs/dbraw/zinc/04/87/74/136048774.db2.gz OUFANCMRYLBATA-GFCCVEGCSA-N 0 3 247.335 0.387 20 0 BCADHN CCSCCN[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000348187780 136048878 /nfs/dbraw/zinc/04/88/78/136048878.db2.gz UAFASARUEBHVRA-DTWKUNHWSA-N 0 3 237.390 0.762 20 0 BCADHN CC(C)N(C)C(=O)CN1CC[C@H]([C@@H](C)O)C1 ZINC000166102249 136049595 /nfs/dbraw/zinc/04/95/95/136049595.db2.gz WCHSPXAERRBOMJ-MNOVXSKESA-N 0 3 228.336 0.556 20 0 BCADHN C[C@H](N[C@@H]1CCN(C2CC2)C1=O)[C@H]1CCCO1 ZINC000348199029 136052355 /nfs/dbraw/zinc/05/23/55/136052355.db2.gz NNQQOTYJAFYSDT-MVWJERBFSA-N 0 3 238.331 0.907 20 0 BCADHN C1CCC(N2CCN3CCOC[C@@H]3C2)C1 ZINC000335328311 136052729 /nfs/dbraw/zinc/05/27/29/136052729.db2.gz KZDAPLKFQRQALI-LBPRGKRZSA-N 0 3 210.321 0.945 20 0 BCADHN C[C@@H]1CN(CCC(=O)N(C)C)[C@@H](C)CN1C ZINC000335333533 136054689 /nfs/dbraw/zinc/05/46/89/136054689.db2.gz UTLWNUIKZVHTNB-MNOVXSKESA-N 0 3 227.352 0.489 20 0 BCADHN OC[C@H]1CC[C@@H](CNCc2cccnc2)O1 ZINC000348229319 136060446 /nfs/dbraw/zinc/06/04/46/136060446.db2.gz XGQMPCGQQSSPII-NWDGAFQWSA-N 0 3 222.288 0.711 20 0 BCADHN C[C@@H]1CN(CCC(=O)N(C)C)C[C@H](C2CC2)O1 ZINC000348228276 136060482 /nfs/dbraw/zinc/06/04/82/136060482.db2.gz MALDWSQNXQJDAC-ZYHUDNBSSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@H](c1cccnc1)N(C)C(=O)[C@H](C)N ZINC000335345932 136066138 /nfs/dbraw/zinc/06/61/38/136066138.db2.gz SLODCGOBGTTXGQ-DTWKUNHWSA-N 0 3 207.277 0.948 20 0 BCADHN C[C@H](N)C(=O)N(C)[C@@H](C)c1cccnc1 ZINC000335345933 136066380 /nfs/dbraw/zinc/06/63/80/136066380.db2.gz SLODCGOBGTTXGQ-IUCAKERBSA-N 0 3 207.277 0.948 20 0 BCADHN C[C@H]1CCN(C)CCN1Cc1ccnn1C ZINC000335352053 136069651 /nfs/dbraw/zinc/06/96/51/136069651.db2.gz HURHPGWFZIWSFX-NSHDSACASA-N 0 3 222.336 0.946 20 0 BCADHN CCC(C)(C)N(C)CC(=O)NCC(=O)OC ZINC000348326079 136070656 /nfs/dbraw/zinc/07/06/56/136070656.db2.gz SEMXGBZRYLWDBZ-UHFFFAOYSA-N 0 3 230.308 0.396 20 0 BCADHN C(C1CCC1)N1CCN2CCOC[C@H]2C1 ZINC000335355009 136070767 /nfs/dbraw/zinc/07/07/67/136070767.db2.gz AOCDWNMBYIDZLK-GFCCVEGCSA-N 0 3 210.321 0.803 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@@H]1CCC(C)(C)O1 ZINC000166118047 136074807 /nfs/dbraw/zinc/07/48/07/136074807.db2.gz HKIIOBJNGIHOIU-UWVGGRQHSA-N 0 3 249.376 0.967 20 0 BCADHN CCS(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000335367927 136082078 /nfs/dbraw/zinc/08/20/78/136082078.db2.gz BWECBIKCPZSOBG-LLVKDONJSA-N 0 3 246.376 0.754 20 0 BCADHN CN1CCC[C@@]2(CCN(S(C)(=O)=O)C2)C1 ZINC000335367936 136082140 /nfs/dbraw/zinc/08/21/40/136082140.db2.gz DEXUVQGQUUEVTI-SNVBAGLBSA-N 0 3 232.349 0.364 20 0 BCADHN Cc1c[nH]c(NC(=O)[C@H](N)C2CCC2)n1 ZINC000335369749 136082737 /nfs/dbraw/zinc/08/27/37/136082737.db2.gz YAVWLURIVVCCSP-MRVPVSSYSA-N 0 3 208.265 0.784 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2C[C@]23CCOC3)CCN1 ZINC000335370788 136083164 /nfs/dbraw/zinc/08/31/64/136083164.db2.gz TWPPHXLELKUSBJ-GWCFXTLKSA-N 0 3 238.331 0.623 20 0 BCADHN NCCNC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000335380556 136087190 /nfs/dbraw/zinc/08/71/90/136087190.db2.gz MWONNXATINKBHE-LLVKDONJSA-N 0 3 232.283 0.822 20 0 BCADHN CCc1ccc(CN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)o1 ZINC000335383337 136088298 /nfs/dbraw/zinc/08/82/98/136088298.db2.gz WQOZXLGAMFLACJ-PHIMTYICSA-N 0 3 248.282 0.546 20 0 BCADHN C[C@@H]1CN(C(=O)Cc2ccn(C)n2)[C@@H](C)CN1 ZINC000335388079 136089665 /nfs/dbraw/zinc/08/96/65/136089665.db2.gz 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0.358 20 0 BCADHN Cc1ccsc1CN1C[C@H](CO)[C@H](O)C1 ZINC000335585013 136101968 /nfs/dbraw/zinc/10/19/68/136101968.db2.gz BOKRNNGLGAHWOQ-NXEZZACHSA-N 0 3 227.329 0.842 20 0 BCADHN C[C@H](CN)NC(=O)C(=O)N1CCCCC[C@@H]1C ZINC000335596635 136105031 /nfs/dbraw/zinc/10/50/31/136105031.db2.gz USJVTQHGKZCDIO-ZJUUUORDSA-N 0 3 241.335 0.241 20 0 BCADHN COCC(C)(C)CN(C)[C@@H]1COC[C@H]1O ZINC000348632168 136105389 /nfs/dbraw/zinc/10/53/89/136105389.db2.gz HGQQOJZLPJCYMN-NXEZZACHSA-N 0 3 217.309 0.351 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)C2(N)CCC2)CCO1 ZINC000335560249 136105898 /nfs/dbraw/zinc/10/58/98/136105898.db2.gz AUCNUUFFLQQVSP-JTQLQIEISA-N 0 3 226.320 0.751 20 0 BCADHN COCC(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000335568951 136108941 /nfs/dbraw/zinc/10/89/41/136108941.db2.gz HYCODZZYWWXPOI-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN COCC(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000335568947 136108975 /nfs/dbraw/zinc/10/89/75/136108975.db2.gz HYCODZZYWWXPOI-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN 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ZINC000341933002 167345575 /nfs/dbraw/zinc/34/55/75/167345575.db2.gz SABKSUZGBLTJHF-VWYCJHECSA-N 0 3 230.352 0.848 20 0 BCADHN CC(C)[C@@H](CCO)NCc1cc(=O)c(O)co1 ZINC000161729122 167393557 /nfs/dbraw/zinc/39/35/57/167393557.db2.gz UIYUIBYNZQCAKF-SNVBAGLBSA-N 0 3 241.287 0.842 20 0 BCADHN CC(C)[C@@H](CCO)N[C@H](C)c1nncn1C ZINC000336685344 167393688 /nfs/dbraw/zinc/39/36/88/167393688.db2.gz UARAXPXOBIZUJB-NXEZZACHSA-N 0 3 226.324 0.873 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C)Cc1ccccn1 ZINC000655497321 410954870 /nfs/dbraw/zinc/95/48/70/410954870.db2.gz RJMQCDDWZHXBKY-DTWKUNHWSA-N 0 3 207.277 0.476 20 0 BCADHN CNC(=O)[C@H]1CCN(Cc2ccc(O)cc2)C1 ZINC000398524798 410970498 /nfs/dbraw/zinc/97/04/98/410970498.db2.gz UQDGGJLXLJEFNF-NSHDSACASA-N 0 3 234.299 0.960 20 0 BCADHN NC(=O)c1ccc(CN[C@H](CO)CCF)cc1 ZINC000652015588 410971599 /nfs/dbraw/zinc/97/15/99/410971599.db2.gz HMHRVKDIICDKTF-NSHDSACASA-N 0 3 240.278 0.596 20 0 BCADHN Cn1nccc1CN[C@@H](CO)CCF ZINC000652015921 410972982 /nfs/dbraw/zinc/97/29/82/410972982.db2.gz OUDJVRAJPSGTKT-MRVPVSSYSA-N 0 3 201.245 0.230 20 0 BCADHN CCc1ncc(CN[C@H](CO)CCF)cn1 ZINC000652017114 410982980 /nfs/dbraw/zinc/98/29/80/410982980.db2.gz OQNBPKOEUZNQKD-JTQLQIEISA-N 0 3 227.283 0.849 20 0 BCADHN O=C1CC[C@H]2CN(CCn3cccn3)CC[C@@H]2N1 ZINC000661598425 410993035 /nfs/dbraw/zinc/99/30/35/410993035.db2.gz WIQJNGWSTHPZNZ-RYUDHWBXSA-N 0 3 248.330 0.484 20 0 BCADHN CN(Cc1ccc(N)nc1)C[C@H]1CCOC1 ZINC000398866122 410994055 /nfs/dbraw/zinc/99/40/55/410994055.db2.gz CJSIWSVQAZREDO-LLVKDONJSA-N 0 3 221.304 0.962 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H](CO)CCF ZINC000652019609 411002598 /nfs/dbraw/zinc/00/25/98/411002598.db2.gz WBGIWUYPNDXUTQ-IUCAKERBSA-N 0 3 241.328 0.120 20 0 BCADHN CCO[C@@H]1CCCN(C(=O)[C@H](N)C(C)C)C1 ZINC000042424865 411002921 /nfs/dbraw/zinc/00/29/21/411002921.db2.gz BUIDXPONOFQIOA-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN CCO[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000042424799 411003924 /nfs/dbraw/zinc/00/39/24/411003924.db2.gz BUIDXPONOFQIOA-MNOVXSKESA-N 0 3 228.336 0.997 20 0 BCADHN CCO[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000042424800 411004116 /nfs/dbraw/zinc/00/41/16/411004116.db2.gz BUIDXPONOFQIOA-QWRGUYRKSA-N 0 3 228.336 0.997 20 0 BCADHN COC(=O)CCCN1C[C@H](O)C2(CC2)C1 ZINC000364321629 411064138 /nfs/dbraw/zinc/06/41/38/411064138.db2.gz ZDUQQFYNVGMUPT-VIFPVBQESA-N 0 3 213.277 0.396 20 0 BCADHN COC(=O)CCCN1C[C@@H](O)C2(CC2)C1 ZINC000364321628 411064218 /nfs/dbraw/zinc/06/42/18/411064218.db2.gz ZDUQQFYNVGMUPT-SECBINFHSA-N 0 3 213.277 0.396 20 0 BCADHN C[C@H]1CN(CC(=O)N(C)C2CC2)C[C@H](C)C1O ZINC000661620996 411071061 /nfs/dbraw/zinc/07/10/61/411071061.db2.gz CBDVFAIVIDBEOA-UWVGGRQHSA-N 0 3 240.347 0.556 20 0 BCADHN CC[C@H]1CN(Cc2ccc(N)nc2)C[C@@H]1O ZINC000399912032 411071791 /nfs/dbraw/zinc/07/17/91/411071791.db2.gz ITTXALADSMXIDQ-QWRGUYRKSA-N 0 3 221.304 0.697 20 0 BCADHN CC1(C)C[C@H](N2CCC(O)(CO)CC2)CO1 ZINC000661620326 411071881 /nfs/dbraw/zinc/07/18/81/411071881.db2.gz IYLJCYZZAMZULY-JTQLQIEISA-N 0 3 229.320 0.373 20 0 BCADHN O[C@H]1CCCC[C@H]1CN1CCOC[C@@H](O)C1 ZINC000399994970 411073555 /nfs/dbraw/zinc/07/35/55/411073555.db2.gz VZPLBYSHZYEKEL-SRVKXCTJSA-N 0 3 229.320 0.231 20 0 BCADHN C[C@@H]1CN(Cc2cn[nH]c2)C[C@H](C)[C@H]1O ZINC000661624240 411080158 /nfs/dbraw/zinc/08/01/58/411080158.db2.gz JJIAMXGGGLLLLJ-JZYVYDRUSA-N 0 3 209.293 0.858 20 0 BCADHN CCN1CCC(Nc2ccc3nnnn3n2)CC1 ZINC000106009568 411081544 /nfs/dbraw/zinc/08/15/44/411081544.db2.gz KSSTYFKPFHWNEO-UHFFFAOYSA-N 0 3 247.306 0.416 20 0 BCADHN CCN(CC[NH3+])C(=O)c1cc(OC)ccc1[O-] ZINC000043327691 411083148 /nfs/dbraw/zinc/08/31/48/411083148.db2.gz YBSBOJAUVYZXEB-UHFFFAOYSA-N 0 3 238.287 0.822 20 0 BCADHN C[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@H](C)[C@H]1O ZINC000661625387 411084330 /nfs/dbraw/zinc/08/43/30/411084330.db2.gz LUHLXLGOFAFLGK-UYXSQOIJSA-N 0 3 241.253 0.858 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1CCN1CCOCC1 ZINC000399236966 411026799 /nfs/dbraw/zinc/02/67/99/411026799.db2.gz LDYFUVXHEBURQT-VXGBXAGGSA-N 0 3 228.336 0.164 20 0 BCADHN CCO[C@H](CC)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655509628 411139437 /nfs/dbraw/zinc/13/94/37/411139437.db2.gz HSPGUWKQHLMEIE-RQJHMYQMSA-N 0 3 242.241 0.807 20 0 BCADHN OC[C@H](O)CNCc1cccc2c1CCC2 ZINC000651780295 411143311 /nfs/dbraw/zinc/14/33/11/411143311.db2.gz FEYPOQPULHGHGZ-GFCCVEGCSA-N 0 3 221.300 0.618 20 0 BCADHN COC[C@@H](CC(C)(C)C)N[C@H](C)C(N)=O ZINC000651787217 411143869 /nfs/dbraw/zinc/14/38/69/411143869.db2.gz ICBTYPBXXIEVFY-RKDXNWHRSA-N 0 3 216.325 0.901 20 0 BCADHN O[C@H]1C[C@@H](NCc2cnnn2-c2ccccc2)C1 ZINC000651825631 411146427 /nfs/dbraw/zinc/14/64/27/411146427.db2.gz RRTKKINZCKRFEF-GSJFWJNXSA-N 0 3 244.298 0.880 20 0 BCADHN CC(C)CN(CC(=O)N1CCOCC1)C1CC1 ZINC000045751437 411148829 /nfs/dbraw/zinc/14/88/29/411148829.db2.gz SYZSOEIFOPYSSM-UHFFFAOYSA-N 0 3 240.347 0.966 20 0 BCADHN COCCCCC(=O)N[C@@H](CN)C(F)(F)F ZINC000655511551 411149252 /nfs/dbraw/zinc/14/92/52/411149252.db2.gz GOOANVNPEAYGSG-ZETCQYMHSA-N 0 3 242.241 0.809 20 0 BCADHN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)C ZINC000652166572 411164891 /nfs/dbraw/zinc/16/48/91/411164891.db2.gz WBCYOJIXIYONDN-VIFPVBQESA-N 0 3 243.351 0.215 20 0 BCADHN CN(CC(=O)NC1CC1)C[C@@H]1CCOC1 ZINC000047707080 411164087 /nfs/dbraw/zinc/16/40/87/411164087.db2.gz YRAZUSUOLPKIMO-VIFPVBQESA-N 0 3 212.293 0.233 20 0 BCADHN COC[C@@H](O)CN[C@@H]1CCCn2nccc21 ZINC000657884763 411151965 /nfs/dbraw/zinc/15/19/65/411151965.db2.gz ACVFZJWBINGWGA-VHSXEESVSA-N 0 3 225.292 0.315 20 0 BCADHN CC(C)n1cc(CN[C@H]2C[C@@H](C(N)=O)C2)cn1 ZINC000651940146 411153141 /nfs/dbraw/zinc/15/31/41/411153141.db2.gz AAUDQDMQALQXBY-PHIMTYICSA-N 0 3 236.319 0.818 20 0 BCADHN CCOC[C@H]1CCN([C@@H]2CCN(CC)C2=O)C1 ZINC000659981948 411154353 /nfs/dbraw/zinc/15/43/53/411154353.db2.gz AQKFRPJSAUUBIA-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN COC[C@H](CCO)N[C@@H]1COC2(CCC2)C1 ZINC000657889030 411154601 /nfs/dbraw/zinc/15/46/01/411154601.db2.gz PFURBLHVDFINKV-QWRGUYRKSA-N 0 3 229.320 0.685 20 0 BCADHN C[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1ccccn1 ZINC000651939423 411155798 /nfs/dbraw/zinc/15/57/98/411155798.db2.gz FNKCYHJOVBPKIU-LPEHRKFASA-N 0 3 219.288 0.996 20 0 BCADHN Cc1nn(C)cc1CN[C@H]1C[C@@H](C(N)=O)C1 ZINC000651939468 411155827 /nfs/dbraw/zinc/15/58/27/411155827.db2.gz GSTXGWNYPMSYLX-WAAGHKOSSA-N 0 3 222.292 0.082 20 0 BCADHN CCOc1cccc(CN[C@H]2C[C@@H](C(N)=O)C2)n1 ZINC000651939499 411156023 /nfs/dbraw/zinc/15/60/23/411156023.db2.gz HQEYOCNZCKPOIV-JGZJWPJOSA-N 0 3 249.314 0.834 20 0 BCADHN O[C@]1(CCNCc2cn[nH]c2)CCOC1 ZINC000651942803 411157108 /nfs/dbraw/zinc/15/71/08/411157108.db2.gz TVGSZNBSHXIYQV-SNVBAGLBSA-N 0 3 211.265 0.041 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)N[C@@H](CN)C(F)(F)F ZINC000655930067 411159356 /nfs/dbraw/zinc/15/93/56/411159356.db2.gz ZAMIQFGSCOKTPF-QYNIQEEDSA-N 0 3 239.241 0.974 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)N[C@@]12C[C@@H]1CCC2 ZINC000659553630 411161255 /nfs/dbraw/zinc/16/12/55/411161255.db2.gz BQDNNCJUEDINDX-NHCYSSNCSA-N 0 3 239.319 0.217 20 0 BCADHN CC[C@@H](C(N)=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000661630432 411108019 /nfs/dbraw/zinc/10/80/19/411108019.db2.gz AATHKSLYYCVACD-JQWIXIFHSA-N 0 3 226.320 0.487 20 0 BCADHN CNCC(=O)N1Cc2ccc(OC)cc2C1 ZINC000655502518 411111939 /nfs/dbraw/zinc/11/19/39/411111939.db2.gz ONVCOEHRDZFBGG-UHFFFAOYSA-N 0 3 220.272 0.757 20 0 BCADHN O[C@]1(C2CC2)CCCN(CCn2cncn2)C1 ZINC000661633981 411111977 /nfs/dbraw/zinc/11/19/77/411111977.db2.gz XZLUBZAXCHYYAX-GFCCVEGCSA-N 0 3 236.319 0.515 20 0 BCADHN CN(CCOCC1CC1)CCc1cn[nH]n1 ZINC000659997066 411161945 /nfs/dbraw/zinc/16/19/45/411161945.db2.gz GXQJOPYBMDHIGN-UHFFFAOYSA-N 0 3 224.308 0.706 20 0 BCADHN NC[C@@H](NC(=O)c1cccc(N)c1)C(F)(F)F ZINC000655504661 411115377 /nfs/dbraw/zinc/11/53/77/411115377.db2.gz HBUJBNKDIVLJNK-MRVPVSSYSA-N 0 3 247.220 0.888 20 0 BCADHN C[C@@H]1CCCN(C(=O)CN2CCNCC2)CC1 ZINC000110814567 411119296 /nfs/dbraw/zinc/11/92/96/411119296.db2.gz VVEZOOUVYUVEFQ-GFCCVEGCSA-N 0 3 239.363 0.540 20 0 BCADHN O[C@@]1(CN[C@@H]2CCCn3nccc32)CCOC1 ZINC000657928821 411169135 /nfs/dbraw/zinc/16/91/35/411169135.db2.gz GPRXUDBNJINWPD-ZYHUDNBSSA-N 0 3 237.303 0.459 20 0 BCADHN C[C@@H]1OCCN(C[C@H]2CNC(=O)C2)[C@H]1C ZINC000660009746 411172793 /nfs/dbraw/zinc/17/27/93/411172793.db2.gz ZXQSVXFSLIMEET-LPEHRKFASA-N 0 3 212.293 0.232 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C[C@@H]1CNC(=O)C1 ZINC000660009747 411172816 /nfs/dbraw/zinc/17/28/16/411172816.db2.gz ZXQSVXFSLIMEET-UTLUCORTSA-N 0 3 212.293 0.232 20 0 BCADHN COC[C@@H](O)CCN[C@H]1CCCn2nccc21 ZINC000657936763 411173574 /nfs/dbraw/zinc/17/35/74/411173574.db2.gz RDUIUFWSEZBJPT-QWRGUYRKSA-N 0 3 239.319 0.705 20 0 BCADHN Cc1noc([C@@H](C)N2C[C@H](O)[C@@H](N(C)C)C2)n1 ZINC000653687293 411179198 /nfs/dbraw/zinc/17/91/98/411179198.db2.gz XTKPWGWCQXXGKD-JEZHCXPESA-N 0 3 240.307 0.046 20 0 BCADHN CCOCCCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000653687203 411179275 /nfs/dbraw/zinc/17/92/75/411179275.db2.gz KIRRIOPHMXOQOE-QWRGUYRKSA-N 0 3 216.325 0.020 20 0 BCADHN CC[C@@H]1CN(C(=O)CNC)[C@H](C)CO1 ZINC000403726830 411181809 /nfs/dbraw/zinc/18/18/09/411181809.db2.gz GKTVTKPZBZNOSG-RKDXNWHRSA-N 0 3 200.282 0.232 20 0 BCADHN OCCOCCCN[C@@H]1CCCn2nccc21 ZINC000657971331 411183457 /nfs/dbraw/zinc/18/34/57/411183457.db2.gz JVIKKFWWMMYJQK-LLVKDONJSA-N 0 3 239.319 0.707 20 0 BCADHN C[C@H](N[C@H]1CCCN2CCCC[C@H]12)C(N)=O ZINC000656129917 411184265 /nfs/dbraw/zinc/18/42/65/411184265.db2.gz OWICPDAMZHLWGN-GARJFASQSA-N 0 3 225.336 0.467 20 0 BCADHN c1cn(CCCN[C@H]2CCCn3ccnc32)nn1 ZINC000655753976 411184493 /nfs/dbraw/zinc/18/44/93/411184493.db2.gz IDGGXHQQEJBUEE-NSHDSACASA-N 0 3 246.318 0.989 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@H]2COC[C@@]2(C)C1 ZINC000661697416 411184784 /nfs/dbraw/zinc/18/47/84/411184784.db2.gz COMHPDBQVBDUTG-GMXVVIOVSA-N 0 3 240.347 0.869 20 0 BCADHN CN1CCC[C@H](NC(=O)NCC2COC2)C1 ZINC000527797909 411243740 /nfs/dbraw/zinc/24/37/40/411243740.db2.gz DPUUTDUKGACMFF-JTQLQIEISA-N 0 3 227.308 0.026 20 0 BCADHN OCc1ccc(CNCCCN2CCC2)o1 ZINC000655755009 411185141 /nfs/dbraw/zinc/18/51/41/411185141.db2.gz LEMOYUUFJHPHMT-UHFFFAOYSA-N 0 3 224.304 0.957 20 0 BCADHN C[C@@]12COC[C@H]1CN(Cc1cn[nH]c1)C2 ZINC000661698345 411186881 /nfs/dbraw/zinc/18/68/81/411186881.db2.gz AXOWHERTPXDNRT-GHMZBOCLSA-N 0 3 207.277 0.878 20 0 BCADHN COCCN(C)C[C@H](O)CN1CC(C2CC2)C1 ZINC000656152602 411187133 /nfs/dbraw/zinc/18/71/33/411187133.db2.gz ZLMCYLIHZJXMPN-ZDUSSCGKSA-N 0 3 242.363 0.267 20 0 BCADHN CCC(C)(C)N1CCN([C@@H](C)C(N)=O)CC1 ZINC000653807881 411187886 /nfs/dbraw/zinc/18/78/86/411187886.db2.gz HYYGROYNHOFUCJ-JTQLQIEISA-N 0 3 227.352 0.666 20 0 BCADHN CCC(C)(C)N1CCN(C[C@@H](O)COC)CC1 ZINC000653808926 411189230 /nfs/dbraw/zinc/18/92/30/411189230.db2.gz GOOMUMBMTXGOBI-GFCCVEGCSA-N 0 3 244.379 0.800 20 0 BCADHN CC(C)NCC(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000659248992 411189875 /nfs/dbraw/zinc/18/98/75/411189875.db2.gz KRSAPMAXROTFIV-JTQLQIEISA-N 0 3 241.335 0.110 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)COC(F)F)[C@@H]2C1 ZINC000644818510 411191016 /nfs/dbraw/zinc/19/10/16/411191016.db2.gz NZICSDSMSWNDHL-JGVFFNPUSA-N 0 3 234.246 0.388 20 0 BCADHN CCN1C[C@@H](CN[C@H](C)c2ccncn2)CC1=O ZINC000652300926 411192505 /nfs/dbraw/zinc/19/25/05/411192505.db2.gz OOKAUHQGJBPWOO-GHMZBOCLSA-N 0 3 248.330 0.996 20 0 BCADHN C[C@@H](NC[C@@H]1CCC(=O)N1)c1cnn(C)c1 ZINC000070627929 411193790 /nfs/dbraw/zinc/19/37/90/411193790.db2.gz YAJUJBAIIVSCIK-SCZZXKLOSA-N 0 3 222.292 0.349 20 0 BCADHN C[C@H](c1cccnc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000653825973 411195078 /nfs/dbraw/zinc/19/50/78/411195078.db2.gz OBVNNGWMSJXBRL-KWCYVHTRSA-N 0 3 247.342 0.893 20 0 BCADHN Cc1cc(CN[C@@H](C)Cn2cncn2)n(C)n1 ZINC000658004485 411195177 /nfs/dbraw/zinc/19/51/77/411195177.db2.gz DMJMXYICSNMQCE-JTQLQIEISA-N 0 3 234.307 0.498 20 0 BCADHN CCOCCCNC(=O)[C@H]1NCC1(C)C ZINC000309653884 411195441 /nfs/dbraw/zinc/19/54/41/411195441.db2.gz UWMXDNGMJGLKSD-SECBINFHSA-N 0 3 214.309 0.527 20 0 BCADHN CCOCCCNC(=O)[C@@H]1NCC1(C)C ZINC000309653887 411195524 /nfs/dbraw/zinc/19/55/24/411195524.db2.gz UWMXDNGMJGLKSD-VIFPVBQESA-N 0 3 214.309 0.527 20 0 BCADHN C[C@@H](N[C@H](CO)CCF)c1cnn(C)c1 ZINC000652306528 411196201 /nfs/dbraw/zinc/19/62/01/411196201.db2.gz XJLGYOBOKGUPPC-SCZZXKLOSA-N 0 3 215.272 0.791 20 0 BCADHN COC(=O)CCNC(=O)CN1CCCCCC1 ZINC000066696569 411196456 /nfs/dbraw/zinc/19/64/56/411196456.db2.gz IHGMBOZTCDWZJS-UHFFFAOYSA-N 0 3 242.319 0.542 20 0 BCADHN COC(=O)CCNC(=O)CN1CCC[C@@H](C)C1 ZINC000066697211 411196483 /nfs/dbraw/zinc/19/64/83/411196483.db2.gz VITZBEPKDYVEON-SNVBAGLBSA-N 0 3 242.319 0.398 20 0 BCADHN Cn1cncc1CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000661701065 411196670 /nfs/dbraw/zinc/19/66/70/411196670.db2.gz FTRMKNBATNFMTR-ZYHUDNBSSA-N 0 3 221.304 0.888 20 0 BCADHN CCO[C@@H]1C[C@H](N[C@@H]2CO[C@@H](C)C2)[C@H]1OC ZINC000402191112 411199918 /nfs/dbraw/zinc/19/99/18/411199918.db2.gz DZRWOBIZZQVBIC-KKJSVHSVSA-N 0 3 229.320 0.946 20 0 BCADHN C[C@H]1C[C@H](NC(=O)[C@H](N)Cc2ccccc2)CO1 ZINC000402228320 411200246 /nfs/dbraw/zinc/20/02/46/411200246.db2.gz TVQPSNIQGPJZTN-WCFLWFBJSA-N 0 3 248.326 0.850 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1CCCO[C@H](C)C1 ZINC000061920354 411200389 /nfs/dbraw/zinc/20/03/89/411200389.db2.gz DZGWLJNJTOPZPC-GHMZBOCLSA-N 0 3 228.336 0.997 20 0 BCADHN CN(C)C(=O)CCN(CC(N)=O)C1CCCC1 ZINC000048575103 411203967 /nfs/dbraw/zinc/20/39/67/411203967.db2.gz AIUOKSDRTFLYKA-UHFFFAOYSA-N 0 3 241.335 0.195 20 0 BCADHN CC[C@@H](NCC(=O)NC)[C@H]1CCCCO1 ZINC000653873602 411203960 /nfs/dbraw/zinc/20/39/60/411203960.db2.gz SEWYADJFHVKAQP-NXEZZACHSA-N 0 3 214.309 0.670 20 0 BCADHN CC[C@H](NCC(=O)NC)[C@H]1CCCCO1 ZINC000653873604 411204059 /nfs/dbraw/zinc/20/40/59/411204059.db2.gz SEWYADJFHVKAQP-VHSXEESVSA-N 0 3 214.309 0.670 20 0 BCADHN CNC(=O)C[C@H](C)N[C@H]1CCCn2nccc21 ZINC000658027500 411204269 /nfs/dbraw/zinc/20/42/69/411204269.db2.gz CKULVLLSVDYMDQ-UWVGGRQHSA-N 0 3 236.319 0.832 20 0 BCADHN COCC(COC)N[C@@H]1COC2(CCC2)C1 ZINC000658028716 411205601 /nfs/dbraw/zinc/20/56/01/411205601.db2.gz DRMUBRMQJPYHGE-JTQLQIEISA-N 0 3 229.320 0.949 20 0 BCADHN Cc1cc(NC(=O)[C@@H](C)N)nn1C(C)C ZINC000335463582 411209447 /nfs/dbraw/zinc/20/94/47/411209447.db2.gz YHODJVUZQNCNQP-MRVPVSSYSA-N 0 3 210.281 1.058 20 0 BCADHN CCOCC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000247487672 411210240 /nfs/dbraw/zinc/21/02/40/411210240.db2.gz UAXZGHFTWHAAGV-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CCO[C@@H]1COC[C@H]1N[C@@H](C)Cn1cncn1 ZINC000658032634 411210440 /nfs/dbraw/zinc/21/04/40/411210440.db2.gz VHAMFFDEXMEWJO-HBNTYKKESA-N 0 3 240.307 0.060 20 0 BCADHN CN(C)CCc1cn([C@H]2CCC[C@H]2O)nn1 ZINC000656434293 411246306 /nfs/dbraw/zinc/24/63/06/411246306.db2.gz VCURUHJGVXTDBQ-WDEREUQCSA-N 0 3 224.308 0.468 20 0 BCADHN CN1CCC[C@@H](NC(=O)c2ccc[nH]c2=O)C1 ZINC000048752535 411215070 /nfs/dbraw/zinc/21/50/70/411215070.db2.gz IGRVVNIBYAPJRI-SECBINFHSA-N 0 3 235.287 0.199 20 0 BCADHN CO[C@@H]1COC[C@H]1N[C@H]1COC2(CCC2)C1 ZINC000658041927 411215500 /nfs/dbraw/zinc/21/55/00/411215500.db2.gz LOAHZSQRGSQIAE-GMTAPVOTSA-N 0 3 227.304 0.701 20 0 BCADHN CO[C@@](C)(CO)CN[C@@H]1CCCn2nccc21 ZINC000658048682 411218089 /nfs/dbraw/zinc/21/80/89/411218089.db2.gz WTXCIHHYIQQSJT-ZYHUDNBSSA-N 0 3 239.319 0.705 20 0 BCADHN C[C@@H](N[C@H]1CC[C@@H](C)SC1)C(N)=O ZINC000656257638 411218187 /nfs/dbraw/zinc/21/81/87/411218187.db2.gz JUFFRWHZFGDRIA-PRJMDXOYSA-N 0 3 202.323 0.734 20 0 BCADHN CN1c2ccc(NC(=O)C(C)(C)N)cc2CC1=O ZINC000077416789 411218497 /nfs/dbraw/zinc/21/84/97/411218497.db2.gz TYHXQGSDZAVFGA-UHFFFAOYSA-N 0 3 247.298 0.881 20 0 BCADHN CN(C)CCc1cn([C@@H]2CCC[C@H]2O)nn1 ZINC000656434290 411246620 /nfs/dbraw/zinc/24/66/20/411246620.db2.gz VCURUHJGVXTDBQ-GHMZBOCLSA-N 0 3 224.308 0.468 20 0 BCADHN COC[C@@H](NC(=O)NC[C@H](C)N(C)C)C(C)C ZINC000652385796 411223186 /nfs/dbraw/zinc/22/31/86/411223186.db2.gz OUZRPLYQMGEVAD-WDEREUQCSA-N 0 3 245.367 0.907 20 0 BCADHN C[C@H]1C[C@@H]1CN1CCN(c2nncn2C)CC1 ZINC000656273067 411224130 /nfs/dbraw/zinc/22/41/30/411224130.db2.gz QPIQPWZHELWTHP-WDEREUQCSA-N 0 3 235.335 0.593 20 0 BCADHN C=Cn1cc(CN2CCN3C[C@H](O)C[C@H]3C2)cn1 ZINC000656273444 411224198 /nfs/dbraw/zinc/22/41/98/411224198.db2.gz FJJQAYOHEMDAMF-QWHCGFSZSA-N 0 3 248.330 0.234 20 0 BCADHN CC[C@H](NC[C@@](C)(CO)OC)c1cnn(C)c1 ZINC000655784602 411224424 /nfs/dbraw/zinc/22/44/24/411224424.db2.gz DIIGTVFLDWWPIG-RYUDHWBXSA-N 0 3 241.335 0.858 20 0 BCADHN CCN(CCOCCO)Cc1ccc(N)nc1 ZINC000310279592 411231643 /nfs/dbraw/zinc/23/16/43/411231643.db2.gz WIHFOGBZIVDTAM-UHFFFAOYSA-N 0 3 239.319 0.495 20 0 BCADHN CC[C@@](C)(N)c1cn([C@@H]2CCC[C@H]2O)nn1 ZINC000656435638 411247660 /nfs/dbraw/zinc/24/76/60/411247660.db2.gz FTHSIMOONSWMFQ-FXPVBKGRSA-N 0 3 224.308 0.948 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN(CC2CC=CC2)C1 ZINC000660117742 411237064 /nfs/dbraw/zinc/23/70/64/411237064.db2.gz LKBRFPGHTCQEPS-LLVKDONJSA-N 0 3 244.360 0.576 20 0 BCADHN CC(=O)NCCCN[C@H]1CCCn2ccnc21 ZINC000655694833 411239858 /nfs/dbraw/zinc/23/98/58/411239858.db2.gz HCNABBQBMZFFDL-NSHDSACASA-N 0 3 236.319 0.834 20 0 BCADHN CN(C(=O)C1(N)CC2(CCC2)C1)[C@@H]1CCOC1 ZINC000659255689 411240811 /nfs/dbraw/zinc/24/08/11/411240811.db2.gz FLCNJKYDZMIYQG-SNVBAGLBSA-N 0 3 238.331 0.895 20 0 BCADHN C[C@H](CC(N)=O)N[C@@H]1CCCn2nccc21 ZINC000657911304 411165426 /nfs/dbraw/zinc/16/54/26/411165426.db2.gz YOSALFFEIJBUPM-RKDXNWHRSA-N 0 3 222.292 0.572 20 0 BCADHN O=C1NCC[C@@H]1N[C@@H]1COC2(CCC2)C1 ZINC000656683871 411326979 /nfs/dbraw/zinc/32/69/79/411326979.db2.gz PJFIXFJTOVVKAL-IUCAKERBSA-N 0 3 210.277 0.176 20 0 BCADHN CCCCS(=O)(=O)NCCNC1CC1 ZINC000054267210 411263015 /nfs/dbraw/zinc/26/30/15/411263015.db2.gz KYFGPNUQGUCGRY-UHFFFAOYSA-N 0 3 220.338 0.458 20 0 BCADHN OC/C=C/CN[C@@H]1CCCn2nccc21 ZINC000658138704 411263774 /nfs/dbraw/zinc/26/37/74/411263774.db2.gz OLUAKJLZPMSXAB-TXXBHVLJSA-N 0 3 207.277 0.856 20 0 BCADHN O=S(=O)(NCCNC1CC1)c1cccs1 ZINC000054267206 411263809 /nfs/dbraw/zinc/26/38/09/411263809.db2.gz ZGNXSLMFPZRPHT-UHFFFAOYSA-N 0 3 246.357 0.778 20 0 BCADHN C[C@H](CNC(=O)c1ccc(N)nc1)N(C)C ZINC000050708815 411264544 /nfs/dbraw/zinc/26/45/44/411264544.db2.gz PIQOIAZJUIFOON-MRVPVSSYSA-N 0 3 222.292 0.344 20 0 BCADHN CN(C)CCc1cn(-c2ccn(C)n2)nn1 ZINC000656455384 411264857 /nfs/dbraw/zinc/26/48/57/411264857.db2.gz FNQXXCIJFNCRLK-UHFFFAOYSA-N 0 3 220.280 0.105 20 0 BCADHN Nc1ccc(C(=O)NCCN2CCCCC2)cn1 ZINC000050707964 411265158 /nfs/dbraw/zinc/26/51/58/411265158.db2.gz AMGSAUQRZHUCLS-UHFFFAOYSA-N 0 3 248.330 0.880 20 0 BCADHN CNCC(=O)N[C@@H]1CCCc2c1ccc(=O)n2C ZINC000653453726 411265337 /nfs/dbraw/zinc/26/53/37/411265337.db2.gz NCKZJPOHOSMNMB-SNVBAGLBSA-N 0 3 249.314 0.098 20 0 BCADHN CC(C)[C@@H](N)c1cn(-c2ccnn2C)nn1 ZINC000656456672 411265816 /nfs/dbraw/zinc/26/58/16/411265816.db2.gz ICWTWAXRBZCHNE-SNVBAGLBSA-N 0 3 220.280 0.657 20 0 BCADHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)C1(CO)CC1 ZINC000658151861 411266337 /nfs/dbraw/zinc/26/63/37/411266337.db2.gz BNRFXTBCNNBGCG-NXEZZACHSA-N 0 3 249.376 0.560 20 0 BCADHN COC[C@H](O)Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000656457264 411266530 /nfs/dbraw/zinc/26/65/30/411266530.db2.gz ITPRYAKRCNNPDS-PSASIEDQSA-N 0 3 242.323 0.331 20 0 BCADHN Nc1ccc(CN2CCC[C@H]2CO)cn1 ZINC000050816565 411266520 /nfs/dbraw/zinc/26/65/20/411266520.db2.gz NSMQTXJGINSDLL-JTQLQIEISA-N 0 3 207.277 0.621 20 0 BCADHN C[C@@H]1SCC[C@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000309838969 411268361 /nfs/dbraw/zinc/26/83/61/411268361.db2.gz NLYISGFSYQVBJX-IVZWLZJFSA-N 0 3 244.360 0.375 20 0 BCADHN COC[C@H](CN1CCN(C)CC1(C)C)OC ZINC000660158228 411270953 /nfs/dbraw/zinc/27/09/53/411270953.db2.gz MTLIIFGGXBIQBU-NSHDSACASA-N 0 3 230.352 0.674 20 0 BCADHN CC(C)[C@H](N)C(=O)N(C)Cc1ncc[nH]1 ZINC000070645694 411271700 /nfs/dbraw/zinc/27/17/00/411271700.db2.gz JFUAIBGAMLKULK-VIFPVBQESA-N 0 3 210.281 0.351 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1ncc[nH]1 ZINC000070645730 411271959 /nfs/dbraw/zinc/27/19/59/411271959.db2.gz GRZDCOZCZDTPDY-SCZZXKLOSA-N 0 3 224.308 0.742 20 0 BCADHN CS[C@H]1CCN(CCc2cn(C)nn2)C1 ZINC000599431392 411272197 /nfs/dbraw/zinc/27/21/97/411272197.db2.gz HETHFYNNSNLCKN-JTQLQIEISA-N 0 3 226.349 0.795 20 0 BCADHN CC(C)(N)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000652560913 411272242 /nfs/dbraw/zinc/27/22/42/411272242.db2.gz XPAIWEWXZRLFBQ-VIFPVBQESA-N 0 3 218.247 0.981 20 0 BCADHN CC(C)[C@@H](N)c1cn(CC2(C)COC2)nn1 ZINC000656453384 411275760 /nfs/dbraw/zinc/27/57/60/411275760.db2.gz JCXJFFQCMYNWAN-SNVBAGLBSA-N 0 3 224.308 0.970 20 0 BCADHN CC[C@@](C)(N)c1cn(-c2cc(C)nn2C)nn1 ZINC000656465709 411278311 /nfs/dbraw/zinc/27/83/11/411278311.db2.gz HLDJAZUPRZPUDV-LLVKDONJSA-N 0 3 234.307 0.893 20 0 BCADHN C[C@@H](Cn1cc(CN)nn1)c1ccccn1 ZINC000656467815 411279505 /nfs/dbraw/zinc/27/95/05/411279505.db2.gz SRNCHIABLHQFBG-VIFPVBQESA-N 0 3 217.276 0.936 20 0 BCADHN C[C@@H]1C[C@@H](Nc2ncnn2C)CCN1C ZINC000653464965 411281898 /nfs/dbraw/zinc/28/18/98/411281898.db2.gz NSGUFWDHEIQNEZ-BDAKNGLRSA-N 0 3 209.297 0.132 20 0 BCADHN CC(C)c1nccn1C[C@@H]1CNCCO1 ZINC000070649609 411283052 /nfs/dbraw/zinc/28/30/52/411283052.db2.gz WFFVFHGMAPXKOG-JTQLQIEISA-N 0 3 209.293 0.995 20 0 BCADHN Cc1nc(N)nc(N2CCC[C@H]3CN(C)C[C@H]32)n1 ZINC000631311051 411283327 /nfs/dbraw/zinc/28/33/27/411283327.db2.gz QUSMQTHQTXRFTM-VHSXEESVSA-N 0 3 248.334 0.293 20 0 BCADHN Cn1ncnc1N1CC[C@]2(C1)CCCN(C)C2 ZINC000653466127 411284877 /nfs/dbraw/zinc/28/48/77/411284877.db2.gz YZTGILUGAQIMTG-GFCCVEGCSA-N 0 3 235.335 0.737 20 0 BCADHN Cn1[nH]cnc1=NCCN1CCCC(C)(C)C1 ZINC000653467270 411287592 /nfs/dbraw/zinc/28/75/92/411287592.db2.gz IXRPGALQKNXBIB-UHFFFAOYSA-N 0 3 237.351 0.771 20 0 BCADHN CCN(C(=O)[C@@H]1NCC1(C)C)c1cnn(C)c1 ZINC000655522579 411290825 /nfs/dbraw/zinc/29/08/25/411290825.db2.gz XHEQOMOWXPEXAY-JTQLQIEISA-N 0 3 236.319 0.771 20 0 BCADHN CCCN(CC)C[C@@H](C)N=c1nc[nH]n1C ZINC000653469825 411291345 /nfs/dbraw/zinc/29/13/45/411291345.db2.gz LXIVNQXTAYPJRF-SNVBAGLBSA-N 0 3 225.340 0.769 20 0 BCADHN Cn1ncnc1CNCC1CC(F)(F)C1 ZINC000383515822 411292539 /nfs/dbraw/zinc/29/25/39/411292539.db2.gz JTOYWUDEVMCTOA-UHFFFAOYSA-N 0 3 216.235 0.950 20 0 BCADHN CC[C@@H](C)[C@H](C)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000660196859 411294306 /nfs/dbraw/zinc/29/43/06/411294306.db2.gz MDUBUOYVROCJDQ-YTWAJWBKSA-N 0 3 249.376 0.823 20 0 BCADHN CC[C@H](C)[C@H](C)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000660196857 411294361 /nfs/dbraw/zinc/29/43/61/411294361.db2.gz MDUBUOYVROCJDQ-MMWGEVLESA-N 0 3 249.376 0.823 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H](CO)CCF)N(C)C ZINC000652913662 411329841 /nfs/dbraw/zinc/32/98/41/411329841.db2.gz FDOWGXXAWOEDGV-NXEZZACHSA-N 0 3 234.315 0.409 20 0 BCADHN C[C@H](CS(C)(=O)=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000658216701 411296967 /nfs/dbraw/zinc/29/69/67/411296967.db2.gz AJPWBIMKNZNLLU-VWYCJHECSA-N 0 3 249.376 0.967 20 0 BCADHN CC(C)c1noc(OC[C@H]2CNCCO2)n1 ZINC000656611429 411309796 /nfs/dbraw/zinc/30/97/96/411309796.db2.gz HRIUBPZBNYOGED-MRVPVSSYSA-N 0 3 227.264 0.560 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1Cc1cncn1C ZINC000661772991 411310379 /nfs/dbraw/zinc/31/03/79/411310379.db2.gz XDGGLACWGIIECM-MWLCHTKSSA-N 0 3 209.293 0.765 20 0 BCADHN C[C@H](Cc1ncc[nH]1)OC[C@@H]1CNCCO1 ZINC000656611428 411310742 /nfs/dbraw/zinc/31/07/42/411310742.db2.gz HPRMOQSROYEEFI-ZJUUUORDSA-N 0 3 225.292 0.346 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NC[C@H](CO)CC1CC1 ZINC000658245974 411311421 /nfs/dbraw/zinc/31/14/21/411311421.db2.gz BFTVLOUAWLKUPR-GXSJLCMTSA-N 0 3 249.376 0.418 20 0 BCADHN CCN1CC[C@@H](N2CCC[C@@H](CO)C2)C1=O ZINC000659828479 411311428 /nfs/dbraw/zinc/31/14/28/411311428.db2.gz GZLOJRDYEJIQTG-GHMZBOCLSA-N 0 3 226.320 0.312 20 0 BCADHN CC(=O)N1CCN([C@@H]2CCO[C@H](C)C2)CC1 ZINC000659828652 411311553 /nfs/dbraw/zinc/31/15/53/411311553.db2.gz IGRYWVMPUASHPO-ZYHUDNBSSA-N 0 3 226.320 0.718 20 0 BCADHN CN1CCC[C@H](N[C@@H]2C[C@@H](O)C23CCC3)C1=O ZINC000661831425 411317331 /nfs/dbraw/zinc/31/73/31/411317331.db2.gz OGKJZBKOOHAGHN-HBNTYKKESA-N 0 3 238.331 0.500 20 0 BCADHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000658410332 411319952 /nfs/dbraw/zinc/31/99/52/411319952.db2.gz IUTQKQRXELFMPP-SSDOTTSWSA-N 0 3 218.278 0.166 20 0 BCADHN Cc1cncc(CCN2C[C@@H](O)C[C@@H]2C)n1 ZINC000402918667 411321575 /nfs/dbraw/zinc/32/15/75/411321575.db2.gz PYROFOYTGAXHJD-JQWIXIFHSA-N 0 3 221.304 0.783 20 0 BCADHN CCN1CC[C@H](NCCn2cccn2)C1=O ZINC000656675174 411321727 /nfs/dbraw/zinc/32/17/27/411321727.db2.gz AGEJGQWGVFKJHQ-JTQLQIEISA-N 0 3 222.292 0.094 20 0 BCADHN CC[C@@H](N[C@@H](COC)C1CCOCC1)C(N)=O ZINC000656677726 411323405 /nfs/dbraw/zinc/32/34/05/411323405.db2.gz HTOUCKQMCWICRD-MNOVXSKESA-N 0 3 244.335 0.282 20 0 BCADHN COC[C@@H]1CCN1C[C@@]1(O)CCCOC1 ZINC000656700101 411324033 /nfs/dbraw/zinc/32/40/33/411324033.db2.gz KYXISAHWIKMSKU-QWRGUYRKSA-N 0 3 215.293 0.249 20 0 BCADHN O[C@]1(CN2CC3(CC3(F)F)C2)CCCOC1 ZINC000656700803 411325295 /nfs/dbraw/zinc/32/52/95/411325295.db2.gz UQLXBAIROPZGGB-JTQLQIEISA-N 0 3 233.258 0.869 20 0 BCADHN CCNC(=O)CN1CCCCC[C@H]1CO ZINC000124851810 411325753 /nfs/dbraw/zinc/32/57/53/411325753.db2.gz XZQYLRSAYBYUDL-JTQLQIEISA-N 0 3 214.309 0.359 20 0 BCADHN CCCNC(=O)CN1CCCCC[C@H]1CO ZINC000124853225 411326011 /nfs/dbraw/zinc/32/60/11/411326011.db2.gz MJVHZWKSDJPORP-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN N[C@H](CNC(=O)Cn1cncn1)c1ccccc1 ZINC000062838207 411326218 /nfs/dbraw/zinc/32/62/18/411326218.db2.gz ZTUUIANHWUISBI-LLVKDONJSA-N 0 3 245.286 0.094 20 0 BCADHN O=C(CN1CCCCC[C@H]1CO)N1CCC1 ZINC000124847831 411326246 /nfs/dbraw/zinc/32/62/46/411326246.db2.gz LIFHPDBETKTMPQ-NSHDSACASA-N 0 3 226.320 0.456 20 0 BCADHN C[C@@H]1C[C@H](N(C)[C@H]2CCNC2=O)CCO1 ZINC000660132313 411250917 /nfs/dbraw/zinc/25/09/17/411250917.db2.gz BCJXLWKSYKIWTE-BBBLOLIVSA-N 0 3 212.293 0.374 20 0 BCADHN COCCn1cc(CCN2CCCCC2)nn1 ZINC000656443772 411251833 /nfs/dbraw/zinc/25/18/33/411251833.db2.gz BTQCCEXRPIJZCC-UHFFFAOYSA-N 0 3 238.335 0.953 20 0 BCADHN COCCn1cc([C@H](N)C(C)(C)C)nn1 ZINC000656443806 411252438 /nfs/dbraw/zinc/25/24/38/411252438.db2.gz DKWKSEDAIOTCCD-VIFPVBQESA-N 0 3 212.297 0.970 20 0 BCADHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NC/C=C/CO ZINC000658132688 411256699 /nfs/dbraw/zinc/25/66/99/411256699.db2.gz AZCQEGYQEPWWAM-BXXZLRJFSA-N 0 3 247.360 0.480 20 0 BCADHN CO[C@H](C)C(=O)NCCN1CCCCC1 ZINC000055365927 411259369 /nfs/dbraw/zinc/25/93/69/411259369.db2.gz ZOPFVNXRIMEKLZ-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CN[C@H](C)c1cn(-c2ccncc2)nn1 ZINC000656440898 411259477 /nfs/dbraw/zinc/25/94/77/411259477.db2.gz PAZHYDHVANXXEC-MRVPVSSYSA-N 0 3 203.249 0.943 20 0 BCADHN Cn1nncc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000662033230 411350204 /nfs/dbraw/zinc/35/02/04/411350204.db2.gz JCGGJFVUZCSRPA-NXEZZACHSA-N 0 3 222.292 0.283 20 0 BCADHN CC1(C)CC[C@H]1C(=O)NC[C@H]1CNCCO1 ZINC000659323156 411350940 /nfs/dbraw/zinc/35/09/40/411350940.db2.gz WUPPDVNAOWBIIU-ZJUUUORDSA-N 0 3 226.320 0.527 20 0 BCADHN COC[C@@H](CN1CCCOCC1)OC ZINC000659861093 411351728 /nfs/dbraw/zinc/35/17/28/411351728.db2.gz OKYZJBGHYBFKJX-SNVBAGLBSA-N 0 3 203.282 0.370 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662040253 411353004 /nfs/dbraw/zinc/35/30/04/411353004.db2.gz WHJPGVOUVOZTGX-IVZWLZJFSA-N 0 3 212.293 0.219 20 0 BCADHN NC1(C(=O)NCCO[C@H]2CC2(F)F)CC1 ZINC000659346256 411372889 /nfs/dbraw/zinc/37/28/89/411372889.db2.gz VZLCGAUMTBVDBG-LURJTMIESA-N 0 3 220.219 0.018 20 0 BCADHN CC(C)N(C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000658407999 411353451 /nfs/dbraw/zinc/35/34/51/411353451.db2.gz IBWSFYYIFUBITA-RKDXNWHRSA-N 0 3 217.288 0.818 20 0 BCADHN CCCS(=O)(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000658408026 411353465 /nfs/dbraw/zinc/35/34/65/411353465.db2.gz JGUCLVFQIDHAOJ-HTQZYQBOSA-N 0 3 224.301 0.097 20 0 BCADHN NC(=O)[C@@H]1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCO1 ZINC000659864267 411353932 /nfs/dbraw/zinc/35/39/32/411353932.db2.gz YFDXTRDGACCCQR-WYUUTHIRSA-N 0 3 238.331 0.609 20 0 BCADHN CCN(CC)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000658408431 411354399 /nfs/dbraw/zinc/35/43/99/411354399.db2.gz RVLAYLAKOOIPOQ-RKDXNWHRSA-N 0 3 217.288 0.819 20 0 BCADHN C[C@@H](NCC(=O)Nc1cnccn1)[C@H](C)CO ZINC000660269796 411354763 /nfs/dbraw/zinc/35/47/63/411354763.db2.gz ORJRUADVAUGUFX-RKDXNWHRSA-N 0 3 238.291 0.022 20 0 BCADHN CCN1CC[C@H](N2CCCN(CC)CC2)C1=O ZINC000659871965 411356105 /nfs/dbraw/zinc/35/61/05/411356105.db2.gz YENHTSXLNCTYCX-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN CC[C@H]1CN(C(=O)CNC)[C@@H](C)CO1 ZINC000403726828 411356411 /nfs/dbraw/zinc/35/64/11/411356411.db2.gz GKTVTKPZBZNOSG-IUCAKERBSA-N 0 3 200.282 0.232 20 0 BCADHN NC[C@H](NC(=O)CCCF)C(F)(F)F ZINC000659327814 411356585 /nfs/dbraw/zinc/35/65/85/411356585.db2.gz AOCINSMZTKVMRG-YFKPBYRVSA-N 0 3 216.178 0.742 20 0 BCADHN C[C@H]1CN(CCN2CCC3(COC3)C2)CCO1 ZINC000662073056 411356943 /nfs/dbraw/zinc/35/69/43/411356943.db2.gz QSXKVCYXDAJYNI-LBPRGKRZSA-N 0 3 240.347 0.429 20 0 BCADHN CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000653481392 411357304 /nfs/dbraw/zinc/35/73/04/411357304.db2.gz HCCRJKMFJMZIKW-UWVGGRQHSA-N 0 3 211.309 0.932 20 0 BCADHN C[C@H](CCO)N(C)C(=O)[C@H]1CCCN1C ZINC000652963092 411373141 /nfs/dbraw/zinc/37/31/41/411373141.db2.gz ZVCYSURPDIDZBB-NXEZZACHSA-N 0 3 214.309 0.310 20 0 BCADHN N[C@@H]1CN(S(=O)(=O)CC2CC2)CC[C@H]1F ZINC000658408013 411357562 /nfs/dbraw/zinc/35/75/62/411357562.db2.gz ITHMREMGFWMJPI-RKDXNWHRSA-N 0 3 236.312 0.097 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@H](CC)OC[C@@H]1C ZINC000403758366 411359185 /nfs/dbraw/zinc/35/91/85/411359185.db2.gz NUVIULMKYOOGRW-LPEHRKFASA-N 0 3 214.309 0.750 20 0 BCADHN CCC[C@H](CNCC(=O)NC(C)C)OC ZINC000393503320 411360939 /nfs/dbraw/zinc/36/09/39/411360939.db2.gz UIGWOUOURKIZFC-SNVBAGLBSA-N 0 3 216.325 0.916 20 0 BCADHN COC[C@@H](CN1CCN(C)C[C@H]1C(C)C)OC ZINC000660630936 411361829 /nfs/dbraw/zinc/36/18/29/411361829.db2.gz SDUBIUQALQRXFY-OLZOCXBDSA-N 0 3 244.379 0.920 20 0 BCADHN CC[C@@H]1CN(C(=O)[C@H](C)N)[C@@H](CC)CO1 ZINC000403871894 411363217 /nfs/dbraw/zinc/36/32/17/411363217.db2.gz RTXULCDQGXTTPC-LPEHRKFASA-N 0 3 214.309 0.750 20 0 BCADHN CN(CC1=CCCOC1)C(=O)C(C)(C)N ZINC000658954587 411363280 /nfs/dbraw/zinc/36/32/80/411363280.db2.gz OVQTZGTUACHWSJ-UHFFFAOYSA-N 0 3 212.293 0.529 20 0 BCADHN C[C@@H]1CCC[C@H](CNC(=O)C(C)(C)N)O1 ZINC000658954776 411363293 /nfs/dbraw/zinc/36/32/93/411363293.db2.gz ZGBYIINQOAAVBQ-RKDXNWHRSA-N 0 3 214.309 0.798 20 0 BCADHN CCC(CC)CN(C)[C@@H](COC)C(N)=O ZINC000660634797 411363892 /nfs/dbraw/zinc/36/38/92/411363892.db2.gz ACPOEEVGVBPQJZ-JTQLQIEISA-N 0 3 216.325 0.855 20 0 BCADHN CC(C)(N)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000658954713 411364057 /nfs/dbraw/zinc/36/40/57/411364057.db2.gz UQKYFCKOOABSFQ-KCJUWKMLSA-N 0 3 212.293 0.219 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCC[C@@H]2OCC[C@@H]21 ZINC000658937424 411364079 /nfs/dbraw/zinc/36/40/79/411364079.db2.gz KWHSXBZLDPTTAF-DCAQKATOSA-N 0 3 226.320 0.750 20 0 BCADHN CC(C)(N)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000658954715 411364109 /nfs/dbraw/zinc/36/41/09/411364109.db2.gz UQKYFCKOOABSFQ-KWQFWETISA-N 0 3 212.293 0.219 20 0 BCADHN CO[C@@]1(C)C[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000658969548 411364689 /nfs/dbraw/zinc/36/46/89/411364689.db2.gz WGOPNCQIADZYDQ-WEDXCCLWSA-N 0 3 200.282 0.263 20 0 BCADHN CC(C)[C@H](N)C(=O)N1CCc2nccnc2C1 ZINC000658969600 411364740 /nfs/dbraw/zinc/36/47/40/411364740.db2.gz XCGBYUHRVLANAD-NSHDSACASA-N 0 3 234.303 0.345 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)N[C@@]12C[C@@H]1CCC2 ZINC000659336318 411365118 /nfs/dbraw/zinc/36/51/18/411365118.db2.gz MWRATCSQRBDOOT-GVXVVHGQSA-N 0 3 238.331 0.814 20 0 BCADHN C[C@@H](CCO)N(C)C(=O)[C@@H]1CCCN1C ZINC000652963093 411373728 /nfs/dbraw/zinc/37/37/28/411373728.db2.gz ZVCYSURPDIDZBB-UWVGGRQHSA-N 0 3 214.309 0.310 20 0 BCADHN CC[C@@H]1CO[C@@H](CC)CN1CC1(CO)COC1 ZINC000403952648 411369170 /nfs/dbraw/zinc/36/91/70/411369170.db2.gz PTBRNMWTHAXUBS-NEPJUHHUSA-N 0 3 243.347 0.885 20 0 BCADHN CN(CC1(C)COC1)C(C)(C)C(N)=O ZINC000660647064 411370412 /nfs/dbraw/zinc/37/04/12/411370412.db2.gz AZGGJSOTNMRDNT-UHFFFAOYSA-N 0 3 200.282 0.219 20 0 BCADHN CC(C)NCC(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000659341800 411371294 /nfs/dbraw/zinc/37/12/94/411371294.db2.gz AWMWMBAAENKHRN-BETUJISGSA-N 0 3 240.347 0.869 20 0 BCADHN COC[C@H](O)CNCc1c(C2CC2)cnn1C ZINC000656709704 411335661 /nfs/dbraw/zinc/33/56/61/411335661.db2.gz DFTIOERFAZTWLA-SNVBAGLBSA-N 0 3 239.319 0.394 20 0 BCADHN CO[C@@]1(C)C[C@H]1N[C@H](C)Cn1cncn1 ZINC000658329500 411336926 /nfs/dbraw/zinc/33/69/26/411336926.db2.gz FBWWHMXGDNPRSX-BBBLOLIVSA-N 0 3 210.281 0.434 20 0 BCADHN C[C@@H](CNCCc1ccoc1)S(C)(=O)=O ZINC000656713009 411337909 /nfs/dbraw/zinc/33/79/09/411337909.db2.gz GFMHZABWMHODAJ-VIFPVBQESA-N 0 3 231.317 0.845 20 0 BCADHN CO[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1)C1CCC1 ZINC000659314236 411339787 /nfs/dbraw/zinc/33/97/87/411339787.db2.gz RARJYZIHCVRJPO-GARJFASQSA-N 0 3 244.310 0.618 20 0 BCADHN CCN(C[C@@H]1CCOC1)[C@H]1CCN(CC)C1=O ZINC000659845591 411339936 /nfs/dbraw/zinc/33/99/36/411339936.db2.gz KHHALHPTYVYMIR-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN O=C1CCC(=O)N1CCN1CC[C@@H]2C[C@@H]2C1 ZINC000661970835 411340137 /nfs/dbraw/zinc/34/01/37/411340137.db2.gz MVYUAECNLWXIET-NXEZZACHSA-N 0 3 222.288 0.477 20 0 BCADHN CN1CCC[C@H](N2CC[C@@H]3C[C@@H]3C2)C1=O ZINC000661974236 411341456 /nfs/dbraw/zinc/34/14/56/411341456.db2.gz VQLLXQILQLBKLO-MXWKQRLJSA-N 0 3 208.305 0.949 20 0 BCADHN O=C(CNC1(C2CC2)CC1)Nc1cnccn1 ZINC000660254517 411341770 /nfs/dbraw/zinc/34/17/70/411341770.db2.gz UCHVQOFZQZCKPT-UHFFFAOYSA-N 0 3 232.287 0.947 20 0 BCADHN OC[C@]1(O)CCCN(Cc2ccc(O)cc2)C1 ZINC000313647323 411342085 /nfs/dbraw/zinc/34/20/85/411342085.db2.gz WMFJDGWRXDNCCO-ZDUSSCGKSA-N 0 3 237.299 0.711 20 0 BCADHN CO[C@@]1(C)C[C@H]1N[C@@H](C)CC(=O)N(C)C ZINC000658334577 411343673 /nfs/dbraw/zinc/34/36/73/411343673.db2.gz NHXHDDNQIPNSDK-NGZCFLSTSA-N 0 3 214.309 0.620 20 0 BCADHN CC1(CN2CCO[C@]3(CCCOC3)C2)COC1 ZINC000352375934 168026790 /nfs/dbraw/zinc/02/67/90/168026790.db2.gz HNRHVSOTJWJFAL-CYBMUJFWSA-N 0 3 241.331 0.904 20 0 BCADHN CC1(CNC(=O)C[C@@H]2CSCCN2)CC1 ZINC000227211244 168029101 /nfs/dbraw/zinc/02/91/01/168029101.db2.gz MSZQLBDWBZWVFS-SECBINFHSA-N 0 3 228.361 0.998 20 0 BCADHN CC1(CNC(=O)NC[C@H]2CNCCO2)CC1 ZINC000333390267 168032223 /nfs/dbraw/zinc/03/22/23/168032223.db2.gz ORXQSRKSXZHDNA-SECBINFHSA-N 0 3 227.308 0.074 20 0 BCADHN CC1(CNC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000333390268 168032471 /nfs/dbraw/zinc/03/24/71/168032471.db2.gz ORXQSRKSXZHDNA-VIFPVBQESA-N 0 3 227.308 0.074 20 0 BCADHN CC1(CNC(=O)C(N)C(F)(F)F)COC1 ZINC000309425870 168035458 /nfs/dbraw/zinc/03/54/58/168035458.db2.gz KHQIEZWSMNTOBD-YFKPBYRVSA-N 0 3 226.198 0.029 20 0 BCADHN CC1(CNC(=O)[C@H]2C[C@H](F)CN2)CCC1 ZINC000188618157 168036483 /nfs/dbraw/zinc/03/64/83/168036483.db2.gz ZREITDKSVUVKDW-DTWKUNHWSA-N 0 3 214.284 0.993 20 0 BCADHN CCCN(C)CC(=O)N1CC[C@@H](O)[C@H]1C ZINC000654175681 411348110 /nfs/dbraw/zinc/34/81/10/411348110.db2.gz MDJVMUBMFYAVMT-NXEZZACHSA-N 0 3 214.309 0.310 20 0 BCADHN C[C@]1(CNC(=O)CNC2CC2)CC1(F)F ZINC000659361432 411377302 /nfs/dbraw/zinc/37/73/02/411377302.db2.gz KOJMPVIOVYDFRA-SECBINFHSA-N 0 3 218.247 0.900 20 0 BCADHN C[C@@]1(CNC(=O)CNC2CC2)CC1(F)F ZINC000659361433 411377306 /nfs/dbraw/zinc/37/73/06/411377306.db2.gz KOJMPVIOVYDFRA-VIFPVBQESA-N 0 3 218.247 0.900 20 0 BCADHN C[C@H](N)C(=O)NCc1c(C2CC2)cnn1C ZINC000659362125 411377588 /nfs/dbraw/zinc/37/75/88/411377588.db2.gz OROANDJAGSSAPU-ZETCQYMHSA-N 0 3 222.292 0.261 20 0 BCADHN CC1=CCN(CCCS(=O)(=O)N(C)C)CC1 ZINC000336685769 168110911 /nfs/dbraw/zinc/11/09/11/168110911.db2.gz VQYAPGRBFDHKGX-UHFFFAOYSA-N 0 3 246.376 0.920 20 0 BCADHN CO[C@@H](CN(CCO)CCCO)C1CCC1 ZINC000659914185 411381664 /nfs/dbraw/zinc/38/16/64/411381664.db2.gz IPMPGBURCLOBGD-LBPRGKRZSA-N 0 3 231.336 0.478 20 0 BCADHN CC1CC(NC(=O)[C@@H](N)CC(F)F)C1 ZINC000336701479 168144150 /nfs/dbraw/zinc/14/41/50/168144150.db2.gz XWGJCVMBBNIPIH-AHXFUIDQSA-N 0 3 206.236 0.884 20 0 BCADHN C[C@@H](CO)[C@H](C)NCC(=O)N1CCC(C)CC1 ZINC000358791568 168172457 /nfs/dbraw/zinc/17/24/57/168172457.db2.gz OERAKMPHCDNZGS-RYUDHWBXSA-N 0 3 242.363 0.851 20 0 BCADHN CN1CC(=O)N(C[C@H]2CCN2C(C)(C)C)C1=O ZINC000656823403 411376525 /nfs/dbraw/zinc/37/65/25/411376525.db2.gz VIDUBQZANCMUOF-SECBINFHSA-N 0 3 239.319 0.753 20 0 BCADHN CC1CCN(CCN(C)[C@@H]2COC[C@@H]2O)CC1 ZINC000352801676 168179983 /nfs/dbraw/zinc/17/99/83/168179983.db2.gz TXXOJUCYDYRBEH-OLZOCXBDSA-N 0 3 242.363 0.410 20 0 BCADHN CC1CCN(CCNC(=O)c2cncnc2)CC1 ZINC000273835501 168180544 /nfs/dbraw/zinc/18/05/44/168180544.db2.gz QFKYFEFKMJJUEV-UHFFFAOYSA-N 0 3 248.330 0.938 20 0 BCADHN CC1CCN(S(=O)(=O)[C@H]2CCCNC2)CC1 ZINC000019428787 168186106 /nfs/dbraw/zinc/18/61/06/168186106.db2.gz XXWQJQLZGQEPPT-NSHDSACASA-N 0 3 246.376 0.800 20 0 BCADHN C[C@@H](CNC(=O)CC(N)=O)N1CCC(C)CC1 ZINC000353782783 168186367 /nfs/dbraw/zinc/18/63/67/168186367.db2.gz WTQDIZZWRMHPOZ-JTQLQIEISA-N 0 3 241.335 0.098 20 0 BCADHN CC(=O)NCC(=O)N(C)CCN1CCCCC1 ZINC000652986848 411388744 /nfs/dbraw/zinc/38/87/44/411388744.db2.gz IMULTAGNHANMGJ-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN OC[C@@H]1CCN(CCO[C@@H]2CC2(F)F)C1 ZINC000659946169 411389802 /nfs/dbraw/zinc/38/98/02/411389802.db2.gz FWIRLPGFTJUGCY-RKDXNWHRSA-N 0 3 221.247 0.725 20 0 BCADHN CCC(=O)CCN1CCCN([C@H](C)CO)CC1 ZINC000372847118 168202144 /nfs/dbraw/zinc/20/21/44/168202144.db2.gz MOZYSGXJVWDDGF-GFCCVEGCSA-N 0 3 242.363 0.744 20 0 BCADHN CCC(=O)CCN1CC[C@H](n2cncn2)C1 ZINC000376453166 168203099 /nfs/dbraw/zinc/20/30/99/168203099.db2.gz CGSBJGPFVCMHPF-JTQLQIEISA-N 0 3 222.292 0.894 20 0 BCADHN CC(C)NCC(=O)Nc1ccc(N)nc1 ZINC000659293547 411390125 /nfs/dbraw/zinc/39/01/25/411390125.db2.gz FKQMRCUVBOGKMH-UHFFFAOYSA-N 0 3 208.265 0.600 20 0 BCADHN CC(=O)N1CC(N[C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000655780763 411390129 /nfs/dbraw/zinc/39/01/29/411390129.db2.gz HWAQWPCKSGLBDV-JZYVYDRUSA-N 0 3 226.320 0.763 20 0 BCADHN O[C@]1(CCNCc2ccncc2)CCOC1 ZINC000404205833 411382920 /nfs/dbraw/zinc/38/29/20/411382920.db2.gz STGNODINQJRLKB-GFCCVEGCSA-N 0 3 222.288 0.713 20 0 BCADHN CCC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000340950939 168238092 /nfs/dbraw/zinc/23/80/92/168238092.db2.gz AVJOVUNXQNRESB-SECBINFHSA-N 0 3 200.282 0.233 20 0 BCADHN C[C@@H](NCC[C@]1(O)CCOC1)c1cnccn1 ZINC000404227276 411383845 /nfs/dbraw/zinc/38/38/45/411383845.db2.gz MGLSZPVZFCPXJQ-PWSUYJOCSA-N 0 3 237.303 0.669 20 0 BCADHN CCN(CC(C)(C)O)[C@@H]1CCN(CC)C1=O ZINC000659929795 411384992 /nfs/dbraw/zinc/38/49/92/411384992.db2.gz VMXPBMNZKARSGQ-SNVBAGLBSA-N 0 3 228.336 0.700 20 0 BCADHN C=Cn1cc(CNCC[C@]2(O)CCOC2)cn1 ZINC000404231938 411385039 /nfs/dbraw/zinc/38/50/39/411385039.db2.gz PQCODHLIFBPCER-LBPRGKRZSA-N 0 3 237.303 0.615 20 0 BCADHN O=C1C[C@H](CN2CCN(C3CCC3)CC2)CN1 ZINC000659929093 411385099 /nfs/dbraw/zinc/38/50/99/411385099.db2.gz PPFBXZLKKSCVSS-NSHDSACASA-N 0 3 237.347 0.293 20 0 BCADHN C[C@H](N)C(=O)Nc1cccc2c1CCN(C)C2=O ZINC000659369913 411386946 /nfs/dbraw/zinc/38/69/46/411386946.db2.gz XCEXVUOMDWXWLM-QMMMGPOBSA-N 0 3 247.298 0.600 20 0 BCADHN CCC(C)(C)NC(=O)CN1CCNCC1 ZINC000020521091 168289222 /nfs/dbraw/zinc/28/92/22/168289222.db2.gz XJNCHBSXEBUJAZ-UHFFFAOYSA-N 0 3 213.325 0.196 20 0 BCADHN CCC(C)(C)NC(=O)CN1C[C@H](CO)[C@H](C)C1 ZINC000362062271 168289782 /nfs/dbraw/zinc/28/97/82/168289782.db2.gz DGLREFDNTDXLFP-GHMZBOCLSA-N 0 3 242.363 0.851 20 0 BCADHN CCC(C)(C)NC(=O)CN1CC[C@H](C)[C@H]1CO ZINC000248975419 168289801 /nfs/dbraw/zinc/28/98/01/168289801.db2.gz UKHCLRIBTHYDLP-WDEREUQCSA-N 0 3 242.363 0.994 20 0 BCADHN CCC(C)(C)NC(=O)CN1C[C@H](C)[C@@H](CO)C1 ZINC000362062277 168290300 /nfs/dbraw/zinc/29/03/00/168290300.db2.gz DGLREFDNTDXLFP-WDEREUQCSA-N 0 3 242.363 0.851 20 0 BCADHN CCC(C)(C)[NH2+][C@H](C)C(=O)[N-]c1nncn1C ZINC000274821597 168302962 /nfs/dbraw/zinc/30/29/62/168302962.db2.gz XPRUDODJOUNNPI-MRVPVSSYSA-N 0 3 239.323 0.920 20 0 BCADHN CC1(C)CN(C(=O)CN)C(C)(C)CO1 ZINC000306676268 411456462 /nfs/dbraw/zinc/45/64/62/411456462.db2.gz VRUNKARSIRTRBU-UHFFFAOYSA-N 0 3 200.282 0.361 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C2CC2)C1 ZINC000654881112 411459454 /nfs/dbraw/zinc/45/94/54/411459454.db2.gz YWJUBDYKIZWXCF-CMPLNLGQSA-N 0 3 240.347 0.558 20 0 BCADHN Nc1ccc(CN(CCCO)C2CC2)cn1 ZINC000404384504 411392639 /nfs/dbraw/zinc/39/26/39/411392639.db2.gz UDFICHAZGMGISI-UHFFFAOYSA-N 0 3 221.304 0.841 20 0 BCADHN CCC[C@H]1C(=O)NCCN1C(=O)CNC(C)C ZINC000659315969 411392838 /nfs/dbraw/zinc/39/28/38/411392838.db2.gz ZKWMOIIANHRJCY-JTQLQIEISA-N 0 3 241.335 0.112 20 0 BCADHN Cc1nnc(NC(=O)C2(N)CC3(CCC3)C2)n1C ZINC000659320354 411394059 /nfs/dbraw/zinc/39/40/59/411394059.db2.gz DXPACLRZWALOOC-UHFFFAOYSA-N 0 3 249.318 0.724 20 0 BCADHN O=C(CNC[C@@H]1CCCO1)NCC1=CCCC1 ZINC000659380106 411395029 /nfs/dbraw/zinc/39/50/29/411395029.db2.gz XBMBLMFLJULSSK-LBPRGKRZSA-N 0 3 238.331 0.982 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)N1CCN(CCN(C)C)CC1 ZINC000055197371 411395736 /nfs/dbraw/zinc/39/57/36/411395736.db2.gz KGQHKQGHSQQBSO-NEPJUHHUSA-N 0 3 239.363 0.348 20 0 BCADHN CC(C)CC[C@@H](N)C(=O)N[C@@H]1CCOC1 ZINC000638284124 411461001 /nfs/dbraw/zinc/46/10/01/411461001.db2.gz CVNWPLPAYRZFJK-NXEZZACHSA-N 0 3 214.309 0.655 20 0 BCADHN COCC1(N(C)C(=O)[C@H]2NCC2(C)C)CC1 ZINC000659336630 411397821 /nfs/dbraw/zinc/39/78/21/411397821.db2.gz JEHYCSQETSWIKQ-SECBINFHSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1cnn(C)c1NC(=O)CNC1CC1 ZINC000659337957 411398378 /nfs/dbraw/zinc/39/83/78/411398378.db2.gz ZBWNFVCAUWDTLM-UHFFFAOYSA-N 0 3 208.265 0.419 20 0 BCADHN CC[C@H](C)CCNC(=O)CNCCOC ZINC000659340593 411399924 /nfs/dbraw/zinc/39/99/24/411399924.db2.gz MIZMQXVCAUNXBV-JTQLQIEISA-N 0 3 216.325 0.775 20 0 BCADHN CC(C)O[C@@H]1CCCN(C(=O)[C@@H](C)N)C1 ZINC000404536556 411400215 /nfs/dbraw/zinc/40/02/15/411400215.db2.gz CBENWCOQCADNHW-NXEZZACHSA-N 0 3 214.309 0.750 20 0 BCADHN CC(C)O[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000404536561 411400281 /nfs/dbraw/zinc/40/02/81/411400281.db2.gz CBENWCOQCADNHW-UWVGGRQHSA-N 0 3 214.309 0.750 20 0 BCADHN C[C@@H](N)C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000659343742 411400861 /nfs/dbraw/zinc/40/08/61/411400861.db2.gz WHHUJXDFUCMSML-IEBDPFPHSA-N 0 3 212.293 0.219 20 0 BCADHN COCCNCC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000659358084 411402020 /nfs/dbraw/zinc/40/20/20/411402020.db2.gz DGOPVYOJNDQAFN-WOPDTQHZSA-N 0 3 240.347 0.775 20 0 BCADHN C[C@H]1CCNC(=O)[C@@H]1NCCC1(O)CCC1 ZINC000408463733 411402494 /nfs/dbraw/zinc/40/24/94/411402494.db2.gz DLLNHBMQFRVTOE-VHSXEESVSA-N 0 3 226.320 0.406 20 0 BCADHN CNCC(=O)Nc1ccc2c(c1)CCOC2 ZINC000659366636 411403965 /nfs/dbraw/zinc/40/39/65/411403965.db2.gz ARGJRHZRNWFUEN-UHFFFAOYSA-N 0 3 220.272 0.917 20 0 BCADHN Nc1ccc2c(c1)CC[C@@H]2NC(=O)C1(N)CC1 ZINC000659362961 411404424 /nfs/dbraw/zinc/40/44/24/411404424.db2.gz HYWWYZZFKDCZDR-NSHDSACASA-N 0 3 231.299 0.864 20 0 BCADHN C[C@@H](N)C(=O)NCc1c(C2CC2)cnn1C ZINC000659362124 411404763 /nfs/dbraw/zinc/40/47/63/411404763.db2.gz OROANDJAGSSAPU-SSDOTTSWSA-N 0 3 222.292 0.261 20 0 BCADHN Cc1cncc(CCNC(=O)CNC(C)C)n1 ZINC000659372604 411405185 /nfs/dbraw/zinc/40/51/85/411405185.db2.gz FYPXQZHIMPZYHE-UHFFFAOYSA-N 0 3 236.319 0.442 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659371591 411405423 /nfs/dbraw/zinc/40/54/23/411405423.db2.gz XFSFKEYVSHSFPC-BXKDBHETSA-N 0 3 249.314 0.633 20 0 BCADHN C[C@@H]1CCN(C(=O)C2(N)CC2)C[C@H](C)O1 ZINC000659374768 411405630 /nfs/dbraw/zinc/40/56/30/411405630.db2.gz VEKVXCVHAFMEKS-BDAKNGLRSA-N 0 3 212.293 0.504 20 0 BCADHN N[C@@H]1CN(C(=O)[C@@H]2CCCOC2)CC[C@H]1F ZINC000659389655 411408382 /nfs/dbraw/zinc/40/83/82/411408382.db2.gz OOTITASABXVEHG-OPRDCNLKSA-N 0 3 230.283 0.311 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000659385322 411409127 /nfs/dbraw/zinc/40/91/27/411409127.db2.gz UURIEMQDNNQMNX-NTSWFWBYSA-N 0 3 206.236 0.741 20 0 BCADHN CC1(C)CCC[N@@H+]1CCNC(=O)c1c[n-]nn1 ZINC000654535840 411409280 /nfs/dbraw/zinc/40/92/80/411409280.db2.gz LGVTZLSPJHWGTO-UHFFFAOYSA-N 0 3 237.307 0.409 20 0 BCADHN CC1(C)CCC[N@H+]1CCNC(=O)c1c[n-]nn1 ZINC000654535840 411409284 /nfs/dbraw/zinc/40/92/84/411409284.db2.gz LGVTZLSPJHWGTO-UHFFFAOYSA-N 0 3 237.307 0.409 20 0 BCADHN CC1(C)CCC[N@@H+]1CCNC(=O)c1cnn[n-]1 ZINC000654535840 411409287 /nfs/dbraw/zinc/40/92/87/411409287.db2.gz LGVTZLSPJHWGTO-UHFFFAOYSA-N 0 3 237.307 0.409 20 0 BCADHN CC1(C)CCC[N@H+]1CCNC(=O)c1cnn[n-]1 ZINC000654535840 411409289 /nfs/dbraw/zinc/40/92/89/411409289.db2.gz LGVTZLSPJHWGTO-UHFFFAOYSA-N 0 3 237.307 0.409 20 0 BCADHN COC[C@@H](C)CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388728 411409639 /nfs/dbraw/zinc/40/96/39/411409639.db2.gz BTIDJYDTSRAIKK-IVZWLZJFSA-N 0 3 232.299 0.557 20 0 BCADHN CC[C@@H]1CC[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)O1 ZINC000659389818 411409801 /nfs/dbraw/zinc/40/98/01/411409801.db2.gz QUAUIXNUONXKMF-GWOFURMSSA-N 0 3 244.310 0.842 20 0 BCADHN CC(C)(C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659391660 411411266 /nfs/dbraw/zinc/41/12/66/411411266.db2.gz AZUARLSFJFXPIP-HTQZYQBOSA-N 0 3 202.273 0.930 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC2(CC2(F)F)C1 ZINC000654563560 411411909 /nfs/dbraw/zinc/41/19/09/411411909.db2.gz LKJIJHACBCEGBI-QMMMGPOBSA-N 0 3 247.289 0.987 20 0 BCADHN Cc1nccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)n1 ZINC000659390111 411412045 /nfs/dbraw/zinc/41/20/45/411412045.db2.gz SSRIJYXPCDPQFK-RKDXNWHRSA-N 0 3 238.266 0.296 20 0 BCADHN N[C@@H]1CN(C(=O)c2ccncc2)CC[C@H]1F ZINC000659390966 411412108 /nfs/dbraw/zinc/41/21/08/411412108.db2.gz JUAKFHPCEGSNSO-NXEZZACHSA-N 0 3 223.251 0.593 20 0 BCADHN N[C@@H]1CN(C(=O)C2CCC2)CC[C@H]1F ZINC000659391858 411412112 /nfs/dbraw/zinc/41/21/12/411412112.db2.gz JWPOLMYASGKCNP-RKDXNWHRSA-N 0 3 200.257 0.684 20 0 BCADHN COc1ccc(C(=O)NC[C@H]2CCN(C)C2)o1 ZINC000654564888 411412723 /nfs/dbraw/zinc/41/27/23/411412723.db2.gz ZXHIZKFPVVPSJL-SECBINFHSA-N 0 3 238.287 0.970 20 0 BCADHN CC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000121568757 411413471 /nfs/dbraw/zinc/41/34/71/411413471.db2.gz OJHUBDVZVZLIBQ-GFCCVEGCSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@H](N[C@H]1CCC[C@@H]1O)c1cnn(C)c1 ZINC000129890055 411413657 /nfs/dbraw/zinc/41/36/57/411413657.db2.gz HYLKZAKQCLSUFR-LSJOCFKGSA-N 0 3 209.293 0.984 20 0 BCADHN CCC[C@@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126056918 411414235 /nfs/dbraw/zinc/41/42/35/411414235.db2.gz WJZRNGKAZGYKGE-KOLCDFICSA-N 0 3 243.351 0.391 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCCOC[C@@H]2C)C1 ZINC000654933356 411464567 /nfs/dbraw/zinc/46/45/67/411464567.db2.gz PECUPVSYMZSKDR-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CCCCOCCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405199190 411419983 /nfs/dbraw/zinc/41/99/83/411419983.db2.gz BZGNUALORYSLQR-QWHCGFSZSA-N 0 3 242.363 0.554 20 0 BCADHN C[C@@H]1CC[C@H]1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659494886 411421375 /nfs/dbraw/zinc/42/13/75/411421375.db2.gz HALQWQWALWKJHL-ZYUZMQFOSA-N 0 3 229.299 0.866 20 0 BCADHN O=C1NCC[C@@H]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000653562390 411421775 /nfs/dbraw/zinc/42/17/75/411421775.db2.gz TUQRXEBZPHUYQP-MXWKQRLJSA-N 0 3 224.304 0.376 20 0 BCADHN CC[C@H](C)CCNC(=O)NCCNCCOC ZINC000659528421 411421898 /nfs/dbraw/zinc/42/18/98/411421898.db2.gz SGCHDMNAGJGCFU-NSHDSACASA-N 0 3 245.367 0.958 20 0 BCADHN Cc1ncc(CNC2CCOCC2)n1C ZINC000657316539 411462784 /nfs/dbraw/zinc/46/27/84/411462784.db2.gz OMNNKHXBLSDQHC-UHFFFAOYSA-N 0 3 209.293 0.997 20 0 BCADHN C[C@H]1COCCCN1CCCC(=O)N(C)C ZINC000653586844 411427829 /nfs/dbraw/zinc/42/78/29/411427829.db2.gz DXEYLFITTYEYOA-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN Cc1cc(NC(=O)COC2(C)CNC2)nn1C ZINC000305937285 411428292 /nfs/dbraw/zinc/42/82/92/411428292.db2.gz DHSXJQLKFLGDDF-UHFFFAOYSA-N 0 3 238.291 0.046 20 0 BCADHN CN(C)C(=O)CCCN1CCc2cn[nH]c2C1 ZINC000653588509 411429365 /nfs/dbraw/zinc/42/93/65/411429365.db2.gz ZPNFRTACCVEDRW-UHFFFAOYSA-N 0 3 236.319 0.636 20 0 BCADHN CCCCCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405446364 411429560 /nfs/dbraw/zinc/42/95/60/411429560.db2.gz WSYHRIVYECTZNA-NWDGAFQWSA-N 0 3 212.337 0.927 20 0 BCADHN CNC(=O)CCCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000653595638 411431645 /nfs/dbraw/zinc/43/16/45/411431645.db2.gz OXQSTFSPIMARGT-MNOVXSKESA-N 0 3 227.352 0.537 20 0 BCADHN CC[C@@](C)(CO)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000654701406 411432648 /nfs/dbraw/zinc/43/26/48/411432648.db2.gz YYLVBCBZJCNDCH-MFKMUULPSA-N 0 3 242.363 0.994 20 0 BCADHN COC(=O)C1=C(C)O[C@H](CN(C)CCO)C1 ZINC000272216767 411433232 /nfs/dbraw/zinc/43/32/32/411433232.db2.gz CZZMLMOBRQMUSQ-VIFPVBQESA-N 0 3 229.276 0.146 20 0 BCADHN CC1(C)C[C@@]1(C)NC(=O)NC[C@H]1CNCCO1 ZINC000659551375 411434453 /nfs/dbraw/zinc/43/44/53/411434453.db2.gz BFCMEVKAFZDISC-BXKDBHETSA-N 0 3 241.335 0.463 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)N[C@]12C[C@H]1CCC2 ZINC000659553629 411435435 /nfs/dbraw/zinc/43/54/35/411435435.db2.gz BQDNNCJUEDINDX-JFGNBEQYSA-N 0 3 239.319 0.217 20 0 BCADHN CC[C@@H](C)CCNC(=O)NC[C@@H]1CNCCO1 ZINC000659555329 411435611 /nfs/dbraw/zinc/43/56/11/411435611.db2.gz PTDLTFVVYMRNTH-MNOVXSKESA-N 0 3 243.351 0.710 20 0 BCADHN NC[C@@H](C(=O)NCC1(CO)CC1)c1ccccc1 ZINC000123041418 411437199 /nfs/dbraw/zinc/43/71/99/411437199.db2.gz BMGDAJKBGNWGKT-GFCCVEGCSA-N 0 3 248.326 0.618 20 0 BCADHN CO[C@H](C)CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000659569284 411437482 /nfs/dbraw/zinc/43/74/82/411437482.db2.gz GIYCDSHUHHBYBS-UTLUCORTSA-N 0 3 229.324 0.413 20 0 BCADHN CN1CCC[C@@H](NC(=O)CN2CC(C)(C)C2)C1 ZINC000654736592 411437842 /nfs/dbraw/zinc/43/78/42/411437842.db2.gz CHWZJHPRPOEGNN-LLVKDONJSA-N 0 3 239.363 0.539 20 0 BCADHN COCCN(C)C[C@@H](O)CN1CC=CCC1 ZINC000653609869 411438486 /nfs/dbraw/zinc/43/84/86/411438486.db2.gz HWBLSEQLTLULKV-GFCCVEGCSA-N 0 3 228.336 0.187 20 0 BCADHN COC1CC(NC2COCCOC2)C1 ZINC000306251569 411440147 /nfs/dbraw/zinc/44/01/47/411440147.db2.gz DFFPTHRDNNSZAR-UHFFFAOYSA-N 0 3 201.266 0.169 20 0 BCADHN Cc1nn(CCN2CCC(C)CC2)c(=O)o1 ZINC000657279681 411440157 /nfs/dbraw/zinc/44/01/57/411440157.db2.gz YAZHCEWXOKVWNV-UHFFFAOYSA-N 0 3 225.292 0.877 20 0 BCADHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCNC2=O)n1 ZINC000657283909 411443187 /nfs/dbraw/zinc/44/31/87/411443187.db2.gz LANZJXYZBICYRM-SNVBAGLBSA-N 0 3 249.314 0.711 20 0 BCADHN C[C@@H](O)CNCc1cc(C(F)(F)F)nn1C ZINC000657284913 411443249 /nfs/dbraw/zinc/44/32/49/411443249.db2.gz TXRBZILIMALYKI-ZCFIWIBFSA-N 0 3 237.225 0.909 20 0 BCADHN COC[C@@]1(C(=O)NCC2CC2)CCCCN1 ZINC000637901631 411445989 /nfs/dbraw/zinc/44/59/89/411445989.db2.gz NWIVNXLUSVGBJE-GFCCVEGCSA-N 0 3 226.320 0.671 20 0 BCADHN CC[C@H](CO)NCc1cnn2c1CCC2 ZINC000657286747 411446205 /nfs/dbraw/zinc/44/62/05/411446205.db2.gz SNVMJIGPMRYGAB-SNVBAGLBSA-N 0 3 209.293 0.690 20 0 BCADHN CCN[C@H](C)C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000637929979 411447352 /nfs/dbraw/zinc/44/73/52/411447352.db2.gz RSMLUPSEWBUZRS-LPEHRKFASA-N 0 3 214.309 0.620 20 0 BCADHN Cc1nn(C)cc1CN1CC[C@@]2(CNC(=O)C2)C1 ZINC000279422447 411448696 /nfs/dbraw/zinc/44/86/96/411448696.db2.gz NLFQCDQAOIWHKZ-CYBMUJFWSA-N 0 3 248.330 0.441 20 0 BCADHN CNC(=O)CCNC(=O)[C@H](N)CCC(C)C ZINC000637935536 411448754 /nfs/dbraw/zinc/44/87/54/411448754.db2.gz OFJHHRINUQKJHN-SECBINFHSA-N 0 3 229.324 0.002 20 0 BCADHN c1cnn(CCNCc2cnn3c2CCC3)c1 ZINC000657323332 411464164 /nfs/dbraw/zinc/46/41/64/411464164.db2.gz BEUDFYCEIBBGHV-UHFFFAOYSA-N 0 3 231.303 0.816 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCc2c[nH]cn2)C1 ZINC000654819371 411451067 /nfs/dbraw/zinc/45/10/67/411451067.db2.gz GQJSOJCQZWIPFD-SECBINFHSA-N 0 3 222.292 0.368 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCc2cnc[nH]2)C1 ZINC000654819371 411451068 /nfs/dbraw/zinc/45/10/68/411451068.db2.gz GQJSOJCQZWIPFD-SECBINFHSA-N 0 3 222.292 0.368 20 0 BCADHN CC[C@H]1C[C@H](NCCNC(=O)C2CC2)CO1 ZINC000657291310 411452241 /nfs/dbraw/zinc/45/22/41/411452241.db2.gz ZVMAGXPRSJALTI-QWRGUYRKSA-N 0 3 226.320 0.670 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N[C@@H]1CCSC1 ZINC000306535706 411452270 /nfs/dbraw/zinc/45/22/70/411452270.db2.gz MBMPXLHLOGGYAD-SFYZADRCSA-N 0 3 214.334 0.606 20 0 BCADHN Cc1ncc(CNCCN2CCCC2)n1C ZINC000657292115 411452901 /nfs/dbraw/zinc/45/29/01/411452901.db2.gz IPOYEMICDSXFAK-UHFFFAOYSA-N 0 3 222.336 0.914 20 0 BCADHN CC1(C)C[C@H](N2CC[C@H](CO)[C@H](O)C2)CO1 ZINC000660394566 411454303 /nfs/dbraw/zinc/45/43/03/411454303.db2.gz BOLJVGVMKPRDLH-OUAUKWLOSA-N 0 3 229.320 0.229 20 0 BCADHN CN1CC(=O)N(CCN2CCCCCC2)C1=O ZINC000659832324 411468157 /nfs/dbraw/zinc/46/81/57/411468157.db2.gz OUIRVXQLPVQICH-UHFFFAOYSA-N 0 3 239.319 0.756 20 0 BCADHN Cc1c[nH]c(CNCCCC(=O)N(C)C)n1 ZINC000657332581 411468231 /nfs/dbraw/zinc/46/82/31/411468231.db2.gz JZWQQYVQYBFRHS-UHFFFAOYSA-N 0 3 224.308 0.676 20 0 BCADHN Cc1ncc(CN[C@@H](C)C(C)(C)O)n1C ZINC000657342949 411469953 /nfs/dbraw/zinc/46/99/53/411469953.db2.gz UESJHPXEWVHNNK-QMMMGPOBSA-N 0 3 211.309 0.978 20 0 BCADHN C[C@@H](Cn1cncn1)NCc1cnn2c1CCC2 ZINC000657336584 411472073 /nfs/dbraw/zinc/47/20/73/411472073.db2.gz VAAVUZDFDRWZNU-JTQLQIEISA-N 0 3 246.318 0.599 20 0 BCADHN C[C@H](CNC(=O)c1cc(C=O)c[nH]1)N(C)C ZINC000293983055 411472867 /nfs/dbraw/zinc/47/28/67/411472867.db2.gz IKYXLOMZVLIILY-MRVPVSSYSA-N 0 3 223.276 0.507 20 0 BCADHN O=C(N=c1cc[nH][nH]1)[C@@H]1CC[C@@H](C2CC2)N1 ZINC000407247667 411475695 /nfs/dbraw/zinc/47/56/95/411475695.db2.gz FKFJXYDVZCTALU-IUCAKERBSA-N 0 3 220.276 0.301 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H](C)CS(C)(=O)=O)CO1 ZINC000657360962 411476755 /nfs/dbraw/zinc/47/67/55/411476755.db2.gz WKHGFJREZDKILQ-IVZWLZJFSA-N 0 3 235.349 0.577 20 0 BCADHN Cn1ccc(=NC(=O)[C@H]2CC[C@@H](C3CC3)N2)[nH]1 ZINC000407289564 411477051 /nfs/dbraw/zinc/47/70/51/411477051.db2.gz HUQSWXGACNSFEG-VHSXEESVSA-N 0 3 234.303 0.311 20 0 BCADHN CCN1CC[C@H](N(C)CCCOC)C1=O ZINC000659855662 411478734 /nfs/dbraw/zinc/47/87/34/411478734.db2.gz JBTGNXAFAFWNCB-JTQLQIEISA-N 0 3 214.309 0.576 20 0 BCADHN CC[C@@H]1C[C@@H](NCCCS(=O)(=O)CC)CO1 ZINC000657494453 411533195 /nfs/dbraw/zinc/53/31/95/411533195.db2.gz BDMRKVKGRGWWQW-GHMZBOCLSA-N 0 3 249.376 0.968 20 0 BCADHN CCC(=O)N[C@@H]1CCCN([C@@H]2CCC[C@H]2O)C1 ZINC000659864186 411483316 /nfs/dbraw/zinc/48/33/16/411483316.db2.gz KBIBBCFKKQUKNO-IJLUTSLNSA-N 0 3 240.347 0.890 20 0 BCADHN CC[C@H](COC)NCc1cnnn1CC ZINC000657371173 411484441 /nfs/dbraw/zinc/48/44/41/411484441.db2.gz OWNXVAHLIIAVDF-SECBINFHSA-N 0 3 212.297 0.813 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H](CCO)COC)CO1 ZINC000657371101 411485106 /nfs/dbraw/zinc/48/51/06/411485106.db2.gz TVOJBUWLZPZYQO-HBNTYKKESA-N 0 3 217.309 0.541 20 0 BCADHN C[C@@H](NCc1cnc2n1CCC2)[C@H](C)CO ZINC000657372797 411485516 /nfs/dbraw/zinc/48/55/16/411485516.db2.gz XDXJXBHXLHPXIL-NXEZZACHSA-N 0 3 223.320 0.936 20 0 BCADHN COC[C@@H](CN1CCC[C@H](OC)C1)OC ZINC000659875953 411487438 /nfs/dbraw/zinc/48/74/38/411487438.db2.gz SUYVGTLBMLMKJO-WDEREUQCSA-N 0 3 217.309 0.759 20 0 BCADHN COC[C@@H](CN1CCC[C@@H](OC)C1)OC ZINC000659875950 411487686 /nfs/dbraw/zinc/48/76/86/411487686.db2.gz SUYVGTLBMLMKJO-GHMZBOCLSA-N 0 3 217.309 0.759 20 0 BCADHN CC[C@@H]1C[C@@H](N[C@@H]2CCCN(C)C2=O)CO1 ZINC000657386465 411489051 /nfs/dbraw/zinc/48/90/51/411489051.db2.gz CELWNHGRKFBWJE-GMTAPVOTSA-N 0 3 226.320 0.764 20 0 BCADHN C[C@@H](CCO)CNCc1cnc2n1CCC2 ZINC000657384665 411489484 /nfs/dbraw/zinc/48/94/84/411489484.db2.gz RHUYAFDNDULFEM-JTQLQIEISA-N 0 3 223.320 0.937 20 0 BCADHN CN1CC[C@](N)(C(=O)NCC2(C(F)F)CC2)C1 ZINC000638720697 411491568 /nfs/dbraw/zinc/49/15/68/411491568.db2.gz LJDPDYQKXWPMIV-LLVKDONJSA-N 0 3 247.289 0.181 20 0 BCADHN CC(C)n1ccnc1CNCCc1nc[nH]n1 ZINC000657390874 411491531 /nfs/dbraw/zinc/49/15/31/411491531.db2.gz JWSGOBPRMJYYHA-UHFFFAOYSA-N 0 3 234.307 0.914 20 0 BCADHN COC[C@H](CN(C)[C@@H](CO)COC(C)C)OC ZINC000660419031 411492302 /nfs/dbraw/zinc/49/23/02/411492302.db2.gz VCHMLDFFXGKHAL-RYUDHWBXSA-N 0 3 249.351 0.366 20 0 BCADHN COC[C@@H](CN(C)[C@@H](CO)COC(C)C)OC ZINC000660419030 411492571 /nfs/dbraw/zinc/49/25/71/411492571.db2.gz VCHMLDFFXGKHAL-NWDGAFQWSA-N 0 3 249.351 0.366 20 0 BCADHN COC[C@H](CN(C)[C@H](CO)COC(C)C)OC ZINC000660419029 411492635 /nfs/dbraw/zinc/49/26/35/411492635.db2.gz VCHMLDFFXGKHAL-NEPJUHHUSA-N 0 3 249.351 0.366 20 0 BCADHN COCCN(CCC1CCC1)[C@H](C)C(N)=O ZINC000659903337 411493171 /nfs/dbraw/zinc/49/31/71/411493171.db2.gz GBIFNWFQWFRQHO-SNVBAGLBSA-N 0 3 228.336 0.999 20 0 BCADHN CCN1CC[C@H](N(C)C[C@H]2CCCOC2)C1=O ZINC000659908061 411493817 /nfs/dbraw/zinc/49/38/17/411493817.db2.gz GGPMBMGMUIRMBS-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN CO[C@H](CN(C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000659907613 411493911 /nfs/dbraw/zinc/49/39/11/411493911.db2.gz JWYRCNYPSHAZPO-IJLUTSLNSA-N 0 3 229.320 0.759 20 0 BCADHN C=C/C(C)=C/CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000655095716 411494333 /nfs/dbraw/zinc/49/43/33/411494333.db2.gz NIFUIJBFWMMREL-RZZPXTMHSA-N 0 3 238.331 0.642 20 0 BCADHN OC[C@H]1C=C[C@@H](NCc2cnc3n2CCC3)C1 ZINC000657397627 411494814 /nfs/dbraw/zinc/49/48/14/411494814.db2.gz CNWPWZUBIYRZLV-WDEREUQCSA-N 0 3 233.315 0.856 20 0 BCADHN Cc1c[nH]c(CNCC2(CC(N)=O)CC2)n1 ZINC000657494270 411533916 /nfs/dbraw/zinc/53/39/16/411533916.db2.gz OWUIKDQUDOVRHG-UHFFFAOYSA-N 0 3 222.292 0.463 20 0 BCADHN C[C@H](CC(N)=O)NCc1c(C2CC2)cnn1C ZINC000657402261 411495963 /nfs/dbraw/zinc/49/59/63/411495963.db2.gz OUUFUDXPZVXYOV-MRVPVSSYSA-N 0 3 236.319 0.651 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NC[C@H]1CCCS1 ZINC000309471850 411497569 /nfs/dbraw/zinc/49/75/69/411497569.db2.gz ATFGNHWXLGJUTO-RKDXNWHRSA-N 0 3 228.361 0.996 20 0 BCADHN Cc1nc(NC[C@@H](C)O)cc(NC[C@@H](C)O)n1 ZINC000535077048 411497927 /nfs/dbraw/zinc/49/79/27/411497927.db2.gz CCFSCTPLCNZCOT-HTQZYQBOSA-N 0 3 240.307 0.370 20 0 BCADHN CC[C@@H]1CN(C[C@H]2CNC(=O)C2)C[C@H](C)O1 ZINC000659917785 411498122 /nfs/dbraw/zinc/49/81/22/411498122.db2.gz IJXRDTBYVCWFRL-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN CCN1CC[C@H](N(C)CCN2CCCC2)C1=O ZINC000659922485 411499073 /nfs/dbraw/zinc/49/90/73/411499073.db2.gz BVXDGDKBSWFJSB-LBPRGKRZSA-N 0 3 239.363 0.635 20 0 BCADHN Cn1cc(CN[C@H]2CCc3c(nnn3C)C2)cn1 ZINC000655841464 411534133 /nfs/dbraw/zinc/53/41/33/411534133.db2.gz DDJSTVSXSLVGFI-JTQLQIEISA-N 0 3 246.318 0.196 20 0 BCADHN CC(C)C[C@H]1COCCN1C[C@H]1CNC(=O)C1 ZINC000659926638 411500980 /nfs/dbraw/zinc/50/09/80/411500980.db2.gz BNXIKNDNIDGCEI-NEPJUHHUSA-N 0 3 240.347 0.869 20 0 BCADHN CCN1CC[C@@H](N2CCC[C@@H](COC)C2)C1=O ZINC000659925877 411501043 /nfs/dbraw/zinc/50/10/43/411501043.db2.gz RRRQQXMTVUTOSR-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN CN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]2O)C1 ZINC000655131813 411502137 /nfs/dbraw/zinc/50/21/37/411502137.db2.gz QVTVJOCZICYGOT-HBNTYKKESA-N 0 3 241.335 0.293 20 0 BCADHN CC[C@H](NC(=O)N[C@@H]1CCCN(C)C1)[C@@H](C)O ZINC000655132327 411502249 /nfs/dbraw/zinc/50/22/49/411502249.db2.gz IAGBMFHHEIAFIK-MXWKQRLJSA-N 0 3 243.351 0.539 20 0 BCADHN COC[C@@H](O)CCNCc1cnn2c1CCC2 ZINC000657422967 411503316 /nfs/dbraw/zinc/50/33/16/411503316.db2.gz SXTOUDKCGBQYSC-NSHDSACASA-N 0 3 239.319 0.316 20 0 BCADHN CS(=O)(=O)N[C@@H]1CCN(CC2CC=CC2)C1 ZINC000659933790 411503500 /nfs/dbraw/zinc/50/35/00/411503500.db2.gz FOUIIVLQQOVUEG-LLVKDONJSA-N 0 3 244.360 0.576 20 0 BCADHN C[C@H](CC(N)=O)NCc1cccnc1N(C)C ZINC000342131159 411504880 /nfs/dbraw/zinc/50/48/80/411504880.db2.gz DMHCVDKMLAPJMG-SECBINFHSA-N 0 3 236.319 0.501 20 0 BCADHN CCN1CC[C@H](N2CC[C@H](COC)C2)C1=O ZINC000659945752 411507133 /nfs/dbraw/zinc/50/71/33/411507133.db2.gz BXHFBYSWCFCXFV-QWRGUYRKSA-N 0 3 226.320 0.576 20 0 BCADHN CC[C@H]1C[C@@H](NCC(=O)N2CCOCC2)CO1 ZINC000657428939 411507393 /nfs/dbraw/zinc/50/73/93/411507393.db2.gz OHMXTXRQBNBKKF-MNOVXSKESA-N 0 3 242.319 0.002 20 0 BCADHN OCCOCCCNCc1cc2n(n1)CCC2 ZINC000657430620 411508322 /nfs/dbraw/zinc/50/83/22/411508322.db2.gz SHZKXGSTMBVTHB-UHFFFAOYSA-N 0 3 239.319 0.318 20 0 BCADHN CC(C)(C)[C@H]1CN(C[C@@H]2CNC(=O)C2)CCO1 ZINC000660442087 411508667 /nfs/dbraw/zinc/50/86/67/411508667.db2.gz NPMAPWFTOVMHFN-WDEREUQCSA-N 0 3 240.347 0.869 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CCSCC1 ZINC000306498066 411509701 /nfs/dbraw/zinc/50/97/01/411509701.db2.gz SRQFIQSJWQCTHM-MRVPVSSYSA-N 0 3 214.334 0.560 20 0 BCADHN OC[C@H](CC(F)F)NCc1cnc2n1CCC2 ZINC000657449445 411511171 /nfs/dbraw/zinc/51/11/71/411511171.db2.gz XZSZDZITIYPBHZ-QMMMGPOBSA-N 0 3 245.273 0.935 20 0 BCADHN CO[C@@H](C)CNCc1cnn2c1CCC2 ZINC000657447810 411513742 /nfs/dbraw/zinc/51/37/42/411513742.db2.gz SRRFTRMHFJHHJT-VIFPVBQESA-N 0 3 209.293 0.954 20 0 BCADHN N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCOC1 ZINC000131392371 411515369 /nfs/dbraw/zinc/51/53/69/411515369.db2.gz SCRNVJWUVRFOHI-NEPJUHHUSA-N 0 3 234.299 0.462 20 0 BCADHN CO[C@@](C)(CO)CN[C@H](C)c1cn[nH]c1 ZINC000655795531 411515678 /nfs/dbraw/zinc/51/56/78/411515678.db2.gz CEWWHWWZVGOFDL-PSASIEDQSA-N 0 3 213.281 0.458 20 0 BCADHN COCc1csc(CNC[C@@H](O)CO)c1 ZINC000657455075 411516623 /nfs/dbraw/zinc/51/66/23/411516623.db2.gz OQESVOIRCIFADJ-SECBINFHSA-N 0 3 231.317 0.337 20 0 BCADHN O=C1C[C@H](CN2CCc3ccc(O)cc3C2)CN1 ZINC000660078191 411534931 /nfs/dbraw/zinc/53/49/31/411534931.db2.gz RUTVLDZPSUQCIR-JTQLQIEISA-N 0 3 246.310 0.886 20 0 BCADHN N[C@@H](CC(=O)N[C@@H]1CCOC1)c1ccccc1 ZINC000131394225 411517991 /nfs/dbraw/zinc/51/79/91/411517991.db2.gz YMZOOPXTYDCJQR-NEPJUHHUSA-N 0 3 234.299 0.982 20 0 BCADHN C[C@@]1(O)CCN(CCO[C@@H]2CC2(F)F)C1 ZINC000659985431 411519228 /nfs/dbraw/zinc/51/92/28/411519228.db2.gz JPJQHCNOZZFYMJ-RKDXNWHRSA-N 0 3 221.247 0.867 20 0 BCADHN 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411522084 /nfs/dbraw/zinc/52/20/84/411522084.db2.gz IXULXBDNCUSHQV-ONGXEEELSA-N 0 3 248.330 0.586 20 0 BCADHN CO[C@](C)(CO)CNCc1cccn1C ZINC000655808802 411522175 /nfs/dbraw/zinc/52/21/75/411522175.db2.gz JFLSJHWTXOZPQK-NSHDSACASA-N 0 3 212.293 0.512 20 0 BCADHN CC[C@H]1C[C@H](N[C@@H](CO)COC)CO1 ZINC000657470550 411522209 /nfs/dbraw/zinc/52/22/09/411522209.db2.gz TWRLHBFKUHVXEY-GUBZILKMSA-N 0 3 203.282 0.151 20 0 BCADHN O=C1NC[C@@H]2CN(CC3CC=CC3)CCN12 ZINC000659992429 411522297 /nfs/dbraw/zinc/52/22/97/411522297.db2.gz HSNUXEQWCNIFJG-LLVKDONJSA-N 0 3 221.304 0.662 20 0 BCADHN CO[C@@](C)(CO)CNCc1nc(C)ccc1O ZINC000655808755 411522593 /nfs/dbraw/zinc/52/25/93/411522593.db2.gz IDJBEGQWLSCWLS-GFCCVEGCSA-N 0 3 240.303 0.583 20 0 BCADHN CO[C@@](C)(CO)C[NH2+]Cc1nc(C)ccc1[O-] ZINC000655808755 411522595 /nfs/dbraw/zinc/52/25/95/411522595.db2.gz IDJBEGQWLSCWLS-GFCCVEGCSA-N 0 3 240.303 0.583 20 0 BCADHN CO[C@@](C)(CO)CNCc1cccnc1 ZINC000655809045 411522634 /nfs/dbraw/zinc/52/26/34/411522634.db2.gz 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COCC1(CNCc2ccnn2C)CC1 ZINC000655836161 411532414 /nfs/dbraw/zinc/53/24/14/411532414.db2.gz DKWCZEJHPDSHKU-UHFFFAOYSA-N 0 3 209.293 0.936 20 0 BCADHN C[C@H](CO)NCc1c(C2CC2)cnn1C ZINC000657324713 411465081 /nfs/dbraw/zinc/46/50/81/411465081.db2.gz BNYBOMBUOIMDMR-MRVPVSSYSA-N 0 3 209.293 0.768 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCS[C@@H]1C ZINC000307111669 411465402 /nfs/dbraw/zinc/46/54/02/411465402.db2.gz NWRVNNBJGNIZQL-IWSPIJDZSA-N 0 3 216.350 0.980 20 0 BCADHN CC(C)[C@@H](N)C(=O)N[C@H]1CCS[C@@H]1C ZINC000307111668 411465581 /nfs/dbraw/zinc/46/55/81/411465581.db2.gz NWRVNNBJGNIZQL-HRDYMLBCSA-N 0 3 216.350 0.980 20 0 BCADHN Cc1cn(C)nc1NC(=O)[C@@H](N)CCC(C)C ZINC000638433026 411465613 /nfs/dbraw/zinc/46/56/13/411465613.db2.gz PYLLUPZLMSOVAQ-JTQLQIEISA-N 0 3 238.335 1.431 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000335150874 170010876 /nfs/dbraw/zinc/01/08/76/170010876.db2.gz SUGHKXSFZNSERE-WDEREUQCSA-N 0 3 226.320 0.623 20 0 BCADHN CCN1CC[C@@H](NC(=O)[C@@](C)(O)C2CC2)C1 ZINC000333950901 170011406 /nfs/dbraw/zinc/01/14/06/170011406.db2.gz YNLJIZSIWMYISC-PWSUYJOCSA-N 0 3 226.320 0.358 20 0 BCADHN CCN1CC[C@@H](NCc2cn(C)nc2C)C1 ZINC000328187834 170012417 /nfs/dbraw/zinc/01/24/17/170012417.db2.gz ONHOTLKKUGEZSY-GFCCVEGCSA-N 0 3 222.336 0.912 20 0 BCADHN CCN1CC[C@@H](NC(=O)N2CC(C)(CO)C2)C1 ZINC000334130125 170013000 /nfs/dbraw/zinc/01/30/00/170013000.db2.gz SVYNWQQOOIXBMH-SNVBAGLBSA-N 0 3 241.335 0.104 20 0 BCADHN CCN1CC[C@@H]2OCCN(CCCO)[C@@H]2C1 ZINC000339396126 170013861 /nfs/dbraw/zinc/01/38/61/170013861.db2.gz TWYJAKRHRUZYHO-NEPJUHHUSA-N 0 3 228.336 0.164 20 0 BCADHN CCN1CC[C@@H](Nc2nnc(C)c(C)n2)C1 ZINC000333225995 170014000 /nfs/dbraw/zinc/01/40/00/170014000.db2.gz SVHGMLPBIULCHS-SNVBAGLBSA-N 0 3 221.308 0.995 20 0 BCADHN CCN1CC[C@H](NC(=O)c2cnnc(C)c2)C1 ZINC000333984036 170020205 /nfs/dbraw/zinc/02/02/05/170020205.db2.gz FEUDDVBNOIXEEX-NSHDSACASA-N 0 3 234.303 0.609 20 0 BCADHN CCN1CC[C@H]2OCCN(CCOC)[C@H]2C1 ZINC000339387439 170023466 /nfs/dbraw/zinc/02/34/66/170023466.db2.gz KSALHHOWLVIERE-NWDGAFQWSA-N 0 3 228.336 0.428 20 0 BCADHN Cc1ncc(CN[C@H](CO)CCF)n1C ZINC000657502800 411539160 /nfs/dbraw/zinc/53/91/60/411539160.db2.gz PWSFOFJMYBBAJH-VIFPVBQESA-N 0 3 215.272 0.539 20 0 BCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc[nH]n1 ZINC000269549923 170024361 /nfs/dbraw/zinc/02/43/61/170024361.db2.gz NWEOUPGNGKVCOG-ZJUUUORDSA-N 0 3 249.318 0.504 20 0 BCADHN CCN1CC[C@H](N2CCC[C@@H]([C@@H](C)O)C2)C1=O ZINC000660116685 411539539 /nfs/dbraw/zinc/53/95/39/411539539.db2.gz JQAWPQNLHDTMOX-UTUOFQBUSA-N 0 3 240.347 0.700 20 0 BCADHN CCN1C[C@H](C)N(Cc2cnnn2C)C[C@H]1C ZINC000353829437 170033895 /nfs/dbraw/zinc/03/38/95/170033895.db2.gz SVDMNQDJQVXRFV-MNOVXSKESA-N 0 3 237.351 0.730 20 0 BCADHN CCN1C[C@H](C)N(CCOCCO)C[C@H]1C ZINC000346207071 170034190 /nfs/dbraw/zinc/03/41/90/170034190.db2.gz MPUWCALRGNJLCR-NEPJUHHUSA-N 0 3 230.352 0.410 20 0 BCADHN CCN1C[C@H](NCc2nncn2C)[C@@H](C)C1 ZINC000309647491 170036659 /nfs/dbraw/zinc/03/66/59/170036659.db2.gz MSXCYZNDKIAYPO-UWVGGRQHSA-N 0 3 223.324 0.245 20 0 BCADHN CCN1C[C@H](C)[C@H](NCC(=O)NCC(F)F)C1 ZINC000360769389 170037096 /nfs/dbraw/zinc/03/70/96/170037096.db2.gz BAPBTNSJVRNASE-DTWKUNHWSA-N 0 3 249.305 0.298 20 0 BCADHN CCN1C[C@H](C)[C@H](NCc2ncn(C)n2)C1 ZINC000336777396 170038226 /nfs/dbraw/zinc/03/82/26/170038226.db2.gz IHVVEXWIVCLZOP-VHSXEESVSA-N 0 3 223.324 0.245 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@@H]1CN(CC)C[C@@H]1C ZINC000353346108 170039325 /nfs/dbraw/zinc/03/93/25/170039325.db2.gz GLSQQNFXFPJFNH-QJPTWQEYSA-N 0 3 241.379 0.783 20 0 BCADHN CN(CCc1cn[nH]n1)Cc1cccnc1 ZINC000660124535 411541099 /nfs/dbraw/zinc/54/10/99/411541099.db2.gz BJQWGSSBKJYBHF-UHFFFAOYSA-N 0 3 217.276 0.874 20 0 BCADHN CN(CCc1c[nH]nn1)Cc1cccnc1 ZINC000660124535 411541100 /nfs/dbraw/zinc/54/11/00/411541100.db2.gz BJQWGSSBKJYBHF-UHFFFAOYSA-N 0 3 217.276 0.874 20 0 BCADHN CCNC(=O)CC(=O)N1CCCN(CC)CC1 ZINC000408164654 170044996 /nfs/dbraw/zinc/04/49/96/170044996.db2.gz 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CCNC(=O)CN(C[C@H](C)O)C(C)C ZINC000112567732 170058673 /nfs/dbraw/zinc/05/86/73/170058673.db2.gz HVCBAPQLHZAZDO-VIFPVBQESA-N 0 3 202.298 0.214 20 0 BCADHN CCNC(=O)CN(CCO)[C@H]1CC[C@@H](C)C1 ZINC000331300926 170059060 /nfs/dbraw/zinc/05/90/60/170059060.db2.gz AANOPAKUZWFRMY-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN CCNC(=O)CN1CCC[C@]1(C)CCCO ZINC000331337492 170059768 /nfs/dbraw/zinc/05/97/68/170059768.db2.gz JEHLPLXXYZGRIK-GFCCVEGCSA-N 0 3 228.336 0.750 20 0 BCADHN CCNC(=O)CN1CCC[C@]2(CCOC2)C1 ZINC000336294802 170060056 /nfs/dbraw/zinc/06/00/56/170060056.db2.gz UDDDNXXGPLJSDC-LBPRGKRZSA-N 0 3 226.320 0.625 20 0 BCADHN CCNC(=O)CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124473464 170060084 /nfs/dbraw/zinc/06/00/84/170060084.db2.gz AUDUUVROCCMSPB-TUAOUCFPSA-N 0 3 240.347 0.748 20 0 BCADHN CCNC(=O)CN1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000375032875 170061197 /nfs/dbraw/zinc/06/11/97/170061197.db2.gz TVWKIABBECYEJZ-GHMZBOCLSA-N 0 3 225.336 0.149 20 0 BCADHN CCNC(=O)CN1CC[C@H](N2CCCCC2)C1 ZINC000341469160 170061354 /nfs/dbraw/zinc/06/13/54/170061354.db2.gz XFPNLDOSEYIACS-LBPRGKRZSA-N 0 3 239.363 0.683 20 0 BCADHN CCNC(=O)CN[C@@H](CC)[C@@H]1CCCO1 ZINC000331346886 170065421 /nfs/dbraw/zinc/06/54/21/170065421.db2.gz MGHVGLWZMLDFLO-UWVGGRQHSA-N 0 3 214.309 0.670 20 0 BCADHN CCNC(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000035735904 170065609 /nfs/dbraw/zinc/06/56/09/170065609.db2.gz RPTBSSGKMVZNQQ-BDAKNGLRSA-N 0 3 200.282 0.280 20 0 BCADHN CCNC(=O)C[C@@H]1CCCCN1CC(=O)NC ZINC000342052825 170069466 /nfs/dbraw/zinc/06/94/66/170069466.db2.gz VNLQECNUHCMOJB-JTQLQIEISA-N 0 3 241.335 0.113 20 0 BCADHN Cn1nncc1CNC[C@@H]1CCN1C(C)(C)C ZINC000657525249 411543499 /nfs/dbraw/zinc/54/34/99/411543499.db2.gz QKAGTDYCUYNXNC-JTQLQIEISA-N 0 3 237.351 0.778 20 0 BCADHN CCNC(=O)N1CC[C@H](NCc2cc[nH]c2)C1 ZINC000177835214 170075318 /nfs/dbraw/zinc/07/53/18/170075318.db2.gz IYGGPGMXYJPQMG-NSHDSACASA-N 0 3 236.319 0.908 20 0 BCADHN CCNC(=O)NC(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000016335191 170076616 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/nfs/dbraw/zinc/09/21/69/170092169.db2.gz BKLHYTCNWMTUPA-BDAKNGLRSA-N 0 3 202.298 0.118 20 0 BCADHN CCNC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)CC ZINC000036135292 170093446 /nfs/dbraw/zinc/09/34/46/170093446.db2.gz WHDCGQGJOBMEFY-CIUDSAMLSA-N 0 3 229.324 0.001 20 0 BCADHN CCNC(=O)[C@H](C)NC(=O)[C@H](N)CC(C)C ZINC000036135308 170094442 /nfs/dbraw/zinc/09/44/42/170094442.db2.gz PGIKWHRUBLNARM-DTWKUNHWSA-N 0 3 229.324 0.001 20 0 BCADHN CCNC(=O)[C@H](C)NC[C@@H](O)c1ccccc1 ZINC000035114579 170094659 /nfs/dbraw/zinc/09/46/59/170094659.db2.gz ALIOFLBWXFYAQJ-CMPLNLGQSA-N 0 3 236.315 0.834 20 0 BCADHN CCNC(=O)[C@H](C)N[C@H](C)Cn1cccn1 ZINC000042540252 170095984 /nfs/dbraw/zinc/09/59/84/170095984.db2.gz LEERXNPMDMDAKC-ZJUUUORDSA-N 0 3 224.308 0.386 20 0 BCADHN O=C1CCCN1CCNCc1cnc2n1CCC2 ZINC000657501895 411537408 /nfs/dbraw/zinc/53/74/08/411537408.db2.gz DOWQGDRDSKWYBQ-UHFFFAOYSA-N 0 3 248.330 0.541 20 0 BCADHN CCNC(=O)c1cccc(NC(=O)[C@@H](C)N)c1 ZINC000037014862 170103309 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BCADHN CCOC(=O)C1CCN(C(=O)[C@H](C)N)CC1 ZINC000011957906 170193158 /nfs/dbraw/zinc/19/31/58/170193158.db2.gz LOWMBHYMRATJBO-QMMMGPOBSA-N 0 3 228.292 0.135 20 0 BCADHN CCOC(=O)CC(=O)N1CCN(C)CC[C@@H]1C ZINC000354021540 170194691 /nfs/dbraw/zinc/19/46/91/170194691.db2.gz YECZCJGMASKUAB-JTQLQIEISA-N 0 3 242.319 0.492 20 0 BCADHN CCOC(=O)CC(=O)N1CCN2CCC1CC2 ZINC000375507189 170194953 /nfs/dbraw/zinc/19/49/53/170194953.db2.gz NJXPGCSUHRNMQR-UHFFFAOYSA-N 0 3 240.303 0.246 20 0 BCADHN C[C@@H]1[C@@H](C)N(Cc2cn(C)cn2)CCN1C ZINC000660167897 411550320 /nfs/dbraw/zinc/55/03/20/411550320.db2.gz SPXOGIUZGWTEJN-GHMZBOCLSA-N 0 3 222.336 0.945 20 0 BCADHN Cn1nccc1CN[C@H](CO)C1CCC1 ZINC000657558125 411550394 /nfs/dbraw/zinc/55/03/94/411550394.db2.gz KPGDJLFXZAZJND-LLVKDONJSA-N 0 3 209.293 0.671 20 0 BCADHN CCOC(=O)CCCCN(C)[C@@H]1COC[C@H]1O ZINC000352800561 170199621 /nfs/dbraw/zinc/19/96/21/170199621.db2.gz ZWAOAEVHWMQONR-GHMZBOCLSA-N 0 3 245.319 0.411 20 0 BCADHN CCOC(=O)CCCN(C)CCOC ZINC000338729117 170200953 /nfs/dbraw/zinc/20/09/53/170200953.db2.gz ZIGPRRRYMWLTGT-UHFFFAOYSA-N 0 3 203.282 0.908 20 0 BCADHN CCn1cc(CN[C@@H]2CN(C)C[C@@H]2C)nn1 ZINC000657623839 411565860 /nfs/dbraw/zinc/56/58/60/411565860.db2.gz GYHIZZYIBDAQMC-GXSJLCMTSA-N 0 3 223.324 0.338 20 0 BCADHN CCOC(=O)CCN(C)[C@@]1(CO)CCOC1 ZINC000359570507 170205148 /nfs/dbraw/zinc/20/51/48/170205148.db2.gz INVVWXSFEVGRRH-LLVKDONJSA-N 0 3 231.292 0.023 20 0 BCADHN CCOC(=O)CCN1CCC[C@H](CO)C1 ZINC000035150069 170205349 /nfs/dbraw/zinc/20/53/49/170205349.db2.gz MSGBCIUVGMYVBZ-JTQLQIEISA-N 0 3 215.293 0.644 20 0 BCADHN CCOC(=O)CCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000127073122 170207884 /nfs/dbraw/zinc/20/78/84/170207884.db2.gz LBSPQEWHGJCUNC-UWVGGRQHSA-N 0 3 242.319 0.444 20 0 BCADHN CCOC(=O)CCNC(=O)[C@H](N)C(C)(C)C ZINC000083357497 170208202 /nfs/dbraw/zinc/20/82/02/170208202.db2.gz BKLBWOSHYCHBDC-VIFPVBQESA-N 0 3 230.308 0.429 20 0 BCADHN CCOC(=O)CCN[C@@H](CO)[C@H]1CCCO1 ZINC000336779002 170210181 /nfs/dbraw/zinc/21/01/81/170210181.db2.gz MYEJNXYAUIAVRW-VHSXEESVSA-N 0 3 231.292 0.069 20 0 BCADHN OC[C@@H](NCCc1cn[nH]n1)c1ccsc1 ZINC000660303938 411566607 /nfs/dbraw/zinc/56/66/07/411566607.db2.gz ZQXJEBIRBXBPFB-SNVBAGLBSA-N 0 3 238.316 0.732 20 0 BCADHN CCOC(=O)CN(C)C(=O)CN(CC)C(C)C ZINC000109835550 170212980 /nfs/dbraw/zinc/21/29/80/170212980.db2.gz VUZWAUXBCGJQRR-UHFFFAOYSA-N 0 3 244.335 0.738 20 0 BCADHN CCOC(=O)CN(CC(C)C)C(=O)[C@@H](C)N ZINC000037812298 170216001 /nfs/dbraw/zinc/21/60/01/170216001.db2.gz COAIIJUPNJQEPT-SECBINFHSA-N 0 3 230.308 0.381 20 0 BCADHN CCOC(=O)CN1CCCN(C)CC1 ZINC000020361438 170218680 /nfs/dbraw/zinc/21/86/80/170218680.db2.gz DKSXETHJQHXHSH-UHFFFAOYSA-N 0 3 200.282 0.187 20 0 BCADHN CCOC(=O)CN1C[C@@H](C)N(CC)C[C@@H]1C ZINC000341901988 170221739 /nfs/dbraw/zinc/22/17/39/170221739.db2.gz DSKHQENPORABLF-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1CC[C@H](N[C@@H]2CCOC2)CS1(=O)=O ZINC000657637564 411567493 /nfs/dbraw/zinc/56/74/93/411567493.db2.gz LEJYSTAUTTWIJV-BBBLOLIVSA-N 0 3 233.333 0.331 20 0 BCADHN CCOC(=O)CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000330908461 170222501 /nfs/dbraw/zinc/22/25/01/170222501.db2.gz WXIRVTNOCDEOLH-UWVGGRQHSA-N 0 3 242.319 0.539 20 0 BCADHN OC[C@H]1C[C@@H](O)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000660315102 411567784 /nfs/dbraw/zinc/56/77/84/411567784.db2.gz NUGZFLRBRWOZGW-AAVRWANBSA-N 0 3 233.311 0.970 20 0 BCADHN CCOC(=O)COCCN(C)C[C@H](C)OC ZINC000336656836 170228387 /nfs/dbraw/zinc/22/83/87/170228387.db2.gz LTKCNXYRHUCYES-JTQLQIEISA-N 0 3 233.308 0.533 20 0 BCADHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CCCO ZINC000364334150 170232216 /nfs/dbraw/zinc/23/22/16/170232216.db2.gz DXGWGRKAWPIGLJ-WDEREUQCSA-N 0 3 245.319 0.411 20 0 BCADHN CCOC(=O)C[C@H]1C[C@H](OC)CN1CCOC ZINC000373566950 170234347 /nfs/dbraw/zinc/23/43/47/170234347.db2.gz KIWPTZCXGCYMSU-MNOVXSKESA-N 0 3 245.319 0.675 20 0 BCADHN CCOC(=O)[C@@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000236943865 170245308 /nfs/dbraw/zinc/24/53/08/170245308.db2.gz BAEARDYEJDKZTN-DTWKUNHWSA-N 0 3 244.335 0.675 20 0 BCADHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)N1CCC1 ZINC000338301941 170248853 /nfs/dbraw/zinc/24/88/53/170248853.db2.gz JBJOGYBERORNEN-UWVGGRQHSA-N 0 3 242.319 0.396 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1cn[nH]n1 ZINC000295755717 170249276 /nfs/dbraw/zinc/24/92/76/170249276.db2.gz OJKSFLUGMYDUKZ-JGVFFNPUSA-N 0 3 226.280 0.482 20 0 BCADHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1c[nH]nn1 ZINC000295755717 170249277 /nfs/dbraw/zinc/24/92/77/170249277.db2.gz OJKSFLUGMYDUKZ-JGVFFNPUSA-N 0 3 226.280 0.482 20 0 BCADHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)N(C)C ZINC000336775337 170249287 /nfs/dbraw/zinc/24/92/87/170249287.db2.gz YTEZIWVQDUNLKQ-IUCAKERBSA-N 0 3 230.308 0.252 20 0 BCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1N[C@H](C)CC(C)C ZINC000657601626 411558773 /nfs/dbraw/zinc/55/87/73/411558773.db2.gz HQTBWUQVDOXCLF-GMTAPVOTSA-N 0 3 249.376 0.823 20 0 BCADHN OC/C=C\CNCc1cnc2cnccn12 ZINC000657593276 411559087 /nfs/dbraw/zinc/55/90/87/411559087.db2.gz RSEBFPBTIAQSRI-UPHRSURJSA-N 0 3 218.260 0.367 20 0 BCADHN OC/C=C/CNCc1cnc2cnccn12 ZINC000657593275 411559133 /nfs/dbraw/zinc/55/91/33/411559133.db2.gz RSEBFPBTIAQSRI-OWOJBTEDSA-N 0 3 218.260 0.367 20 0 BCADHN Cn1nnc2cc(CNC/C=C\CO)ccc21 ZINC000657593855 411559777 /nfs/dbraw/zinc/55/97/77/411559777.db2.gz WQNMKWPFOUENQO-IHWYPQMZSA-N 0 3 232.287 0.606 20 0 BCADHN CNC(=O)c1ccc(CNC/C=C\CO)cc1 ZINC000657594166 411560083 /nfs/dbraw/zinc/56/00/83/411560083.db2.gz ZIVPQIRWBDIWKW-IHWYPQMZSA-N 0 3 234.299 0.684 20 0 BCADHN CCN1OC[C@H](N[C@@H](CCO)C(C)C)C1=O ZINC000660252752 411560190 /nfs/dbraw/zinc/56/01/90/411560190.db2.gz XMBSMXCVPUZRIL-UWVGGRQHSA-N 0 3 230.308 0.145 20 0 BCADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000040456479 170258370 /nfs/dbraw/zinc/25/83/70/170258370.db2.gz DBADXBBSWQXBMN-DTWKUNHWSA-N 0 3 228.292 0.135 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CCC[C@@H](CO)C1 ZINC000330900156 170260937 /nfs/dbraw/zinc/26/09/37/170260937.db2.gz AHSHJAJVVBWMCX-PWSUYJOCSA-N 0 3 245.319 0.005 20 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CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)N(C)CC ZINC000338296524 170269773 /nfs/dbraw/zinc/26/97/73/170269773.db2.gz NSVYIPMLXYJPQR-NXEZZACHSA-N 0 3 244.335 0.642 20 0 BCADHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)NC1CC1 ZINC000358800880 170269994 /nfs/dbraw/zinc/26/99/94/170269994.db2.gz BJGXUBYIDKSNFQ-BDAKNGLRSA-N 0 3 242.319 0.442 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)NCc1cn[nH]n1 ZINC000295755713 170270131 /nfs/dbraw/zinc/27/01/31/170270131.db2.gz OJKSFLUGMYDUKZ-HTQZYQBOSA-N 0 3 226.280 0.482 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)NCc1c[nH]nn1 ZINC000295755713 170270134 /nfs/dbraw/zinc/27/01/34/170270134.db2.gz OJKSFLUGMYDUKZ-HTQZYQBOSA-N 0 3 226.280 0.482 20 0 BCADHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)C(=O)N(C)C ZINC000358794671 170270165 /nfs/dbraw/zinc/27/01/65/170270165.db2.gz VUCLMGSKNRBFDY-OPRDCNLKSA-N 0 3 244.335 0.640 20 0 BCADHN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N)C1 ZINC000042237598 170279542 /nfs/dbraw/zinc/27/95/42/170279542.db2.gz DBADXBBSWQXBMN-BDAKNGLRSA-N 0 3 228.292 0.135 20 0 BCADHN 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LXWKTISCLSYARZ-MGCOHNPYSA-N 0 3 207.277 0.652 20 0 BCADHN CO[C@H](C)CN1CCC(c2nc(N)n[nH]2)CC1 ZINC000660568017 411601916 /nfs/dbraw/zinc/60/19/16/411601916.db2.gz SXIGWILBKVQOPY-MRVPVSSYSA-N 0 3 239.323 0.601 20 0 BCADHN NC(=O)c1cccc(CN[C@H]2C[C@H](O)C2)c1 ZINC000657810195 411602367 /nfs/dbraw/zinc/60/23/67/411602367.db2.gz VQTGRYXACSGYSI-XYPYZODXSA-N 0 3 220.272 0.398 20 0 BCADHN O[C@H]1C[C@H](NCc2cnc(N3CCCC3)nc2)C1 ZINC000657810057 411602441 /nfs/dbraw/zinc/60/24/41/411602441.db2.gz SBCARMWZDDVCKY-HAQNSBGRSA-N 0 3 248.330 0.690 20 0 BCADHN CN(C)[C@H]1CN([C@H]2COC(C)(C)C2)C[C@@H]1O ZINC000660588697 411604753 /nfs/dbraw/zinc/60/47/53/411604753.db2.gz PUDKRUYJVZIZAE-VWYCJHECSA-N 0 3 228.336 0.161 20 0 BCADHN CCN(C[C@H](C)OC)[C@@H]1CCN(CC)C1=O ZINC000660596969 411605471 /nfs/dbraw/zinc/60/54/71/411605471.db2.gz KDOWQTRQQJWLGC-WDEREUQCSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H](O)CN(C)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000660597628 411605638 /nfs/dbraw/zinc/60/56/38/411605638.db2.gz SGPKNFGWGJNPLP-NOOOWODRSA-N 0 3 240.347 0.746 20 0 BCADHN CCCN(CC(N)=O)C[C@H](OC)[C@H]1CCOC1 ZINC000660618503 411608068 /nfs/dbraw/zinc/60/80/68/411608068.db2.gz RUKUFIWPUSVXJM-QWRGUYRKSA-N 0 3 244.335 0.235 20 0 BCADHN CN(C)C(=O)CCN[C@@H]1CCCn2nccc21 ZINC000657863394 411613398 /nfs/dbraw/zinc/61/33/98/411613398.db2.gz VALIWAUPUVZSEB-SNVBAGLBSA-N 0 3 236.319 0.786 20 0 BCADHN CN(C)C[C@@H](O)CN[C@H]1CCCn2nccc21 ZINC000657876524 411615029 /nfs/dbraw/zinc/61/50/29/411615029.db2.gz XLDDVCQMNIJSCB-QWRGUYRKSA-N 0 3 238.335 0.230 20 0 BCADHN CO[C@@H](CNC(CO)CO)C1CCCCC1 ZINC000660695197 411616165 /nfs/dbraw/zinc/61/61/65/411616165.db2.gz FKZVAMIJEMMHQQ-LBPRGKRZSA-N 0 3 231.336 0.525 20 0 BCADHN CO[C@@H](CNC(CO)CO)C1CCCC1 ZINC000660695410 411618141 /nfs/dbraw/zinc/61/81/41/411618141.db2.gz GXMPLHRRFLXXJC-NSHDSACASA-N 0 3 217.309 0.134 20 0 BCADHN CCN1CC[C@H](N2CC[C@H](OC)[C@H](C)C2)C1=O ZINC000660720914 411618874 /nfs/dbraw/zinc/61/88/74/411618874.db2.gz MQQCAPHMJLSCEK-WOPDTQHZSA-N 0 3 240.347 0.964 20 0 BCADHN C[C@@H]1[C@H](O)CCN1CCN1C[C@H](C)O[C@@H](C)C1 ZINC000660738181 411620214 /nfs/dbraw/zinc/62/02/14/411620214.db2.gz PYOVNPXBTPNIGU-WUHRBBMRSA-N 0 3 242.363 0.551 20 0 BCADHN CON1CCC(N(C)Cc2cn[nH]c2)CC1 ZINC000660766196 411622910 /nfs/dbraw/zinc/62/29/10/411622910.db2.gz GFTWEHPZTSTVEI-UHFFFAOYSA-N 0 3 224.308 0.867 20 0 BCADHN CC[C@H](C)N(CC)CC(=O)N1CCOCC1 ZINC000661105195 411708523 /nfs/dbraw/zinc/70/85/23/411708523.db2.gz GFIFEFYVTGTOGU-NSHDSACASA-N 0 3 228.336 0.966 20 0 BCADHN CC[C@H](C)N(CC)CC(=O)N1CCNC(=O)C1 ZINC000661106244 411711209 /nfs/dbraw/zinc/71/12/09/411711209.db2.gz MQPIUWFXXNRADM-JTQLQIEISA-N 0 3 241.335 0.065 20 0 BCADHN CC[C@@H](C)N(CC)CC(=O)N1CCNC(=O)C1 ZINC000661106245 411711611 /nfs/dbraw/zinc/71/16/11/411711611.db2.gz MQPIUWFXXNRADM-SNVBAGLBSA-N 0 3 241.335 0.065 20 0 BCADHN CCO[C@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366522277 170499691 /nfs/dbraw/zinc/49/96/91/170499691.db2.gz MWCLEPCHFVKTIK-VGMNWLOBSA-N 0 3 218.272 0.228 20 0 BCADHN c1cn(C[C@H]2CCN(Cc3cn[nH]c3)C2)nn1 ZINC000661139116 411716795 /nfs/dbraw/zinc/71/67/95/411716795.db2.gz GOTDFUWICYJVIK-JTQLQIEISA-N 0 3 232.291 0.523 20 0 BCADHN Cc1cc(NC[C@@H]2CNCCO2)nc(C2CC2)n1 ZINC000333625360 411649964 /nfs/dbraw/zinc/64/99/64/411649964.db2.gz FTARYHYHQVDUSS-NSHDSACASA-N 0 3 248.330 1.063 20 0 BCADHN Cc1cc(NC[C@H]2CSCCN2)nc(C)n1 ZINC000641687315 411653345 /nfs/dbraw/zinc/65/33/45/411653345.db2.gz NLOHVZWCAZYLKE-JTQLQIEISA-N 0 3 238.360 1.210 20 0 BCADHN NC(=O)c1cnccc1N[C@H]1CCN(C2CC2)C1 ZINC000663424892 411655594 /nfs/dbraw/zinc/65/55/94/411655594.db2.gz JASWNMDVWXUTHW-VIFPVBQESA-N 0 3 246.314 0.251 20 0 BCADHN CO[C@H](C)CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000660848077 411657894 /nfs/dbraw/zinc/65/78/94/411657894.db2.gz UWIXNOMPWTUFHM-GHMZBOCLSA-N 0 3 243.351 0.662 20 0 BCADHN c1[nH]nnc1CCN1CCOC[C@H]1C1CCC1 ZINC000660901477 411666169 /nfs/dbraw/zinc/66/61/69/411666169.db2.gz DFMFWVSWNGJSNV-LBPRGKRZSA-N 0 3 236.319 0.848 20 0 BCADHN CO[C@H](CN[C@@H]1COC[C@H]1OC)C1CCC1 ZINC000660904546 411667478 /nfs/dbraw/zinc/66/74/78/411667478.db2.gz SHRUWRODEGPFQL-IJLUTSLNSA-N 0 3 229.320 0.805 20 0 BCADHN CC(C)(C)CC(=O)N1CCOC2(CNC2)C1 ZINC000663484302 411669318 /nfs/dbraw/zinc/66/93/18/411669318.db2.gz XODSAVXHPMRVAQ-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN CC[C@@H]1CN(C[C@H]2CNC(=O)C2)[C@@H](C)CO1 ZINC000660915324 411670285 /nfs/dbraw/zinc/67/02/85/411670285.db2.gz ZIAFWEYVKHJGFI-HBNTYKKESA-N 0 3 226.320 0.622 20 0 BCADHN CCCC1(C(=O)N2CCOC3(CNC3)C2)CC1 ZINC000663490197 411670469 /nfs/dbraw/zinc/67/04/69/411670469.db2.gz AYUHVCGDEMJHHY-UHFFFAOYSA-N 0 3 238.331 0.768 20 0 BCADHN C[C@H](CO)N(C)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000314378651 411674103 /nfs/dbraw/zinc/67/41/03/411674103.db2.gz NUTDXUZDRNQXKI-IJLUTSLNSA-N 0 3 230.352 0.408 20 0 BCADHN CO[C@H](CN)C(=O)Nc1cc(C)n(C(C)C)n1 ZINC000565945703 411675846 /nfs/dbraw/zinc/67/58/46/411675846.db2.gz SJVBIKHBYJLTIQ-SECBINFHSA-N 0 3 240.307 0.685 20 0 BCADHN OCCCN1CCC[C@H]1CNc1cccnn1 ZINC000564409317 411686544 /nfs/dbraw/zinc/68/65/44/411686544.db2.gz LPJHALBAMVZDMX-NSHDSACASA-N 0 3 236.319 0.735 20 0 BCADHN OC1CCN(CCCNc2cccnn2)CC1 ZINC000565850822 411688618 /nfs/dbraw/zinc/68/86/18/411688618.db2.gz XZABIQRFYNPLJE-UHFFFAOYSA-N 0 3 236.319 0.735 20 0 BCADHN Cn1ccnc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000663506728 411689838 /nfs/dbraw/zinc/68/98/38/411689838.db2.gz OIPDIMMYJBTLPU-RKDXNWHRSA-N 0 3 212.272 0.291 20 0 BCADHN Cc1ncsc1CN1CCOC2(CNC2)C1 ZINC000663511302 411691501 /nfs/dbraw/zinc/69/15/01/411691501.db2.gz DVDUWAQGPJILOE-UHFFFAOYSA-N 0 3 239.344 0.626 20 0 BCADHN C(CN1CCOC2(CNC2)C1)[C@@H]1CCOC1 ZINC000663510582 411692243 /nfs/dbraw/zinc/69/22/43/411692243.db2.gz PZNWHIKDDNRNOK-LLVKDONJSA-N 0 3 226.320 0.087 20 0 BCADHN O[C@@H](CNc1nncs1)CN1CCCCC1 ZINC000450255711 411695199 /nfs/dbraw/zinc/69/51/99/411695199.db2.gz CPMIBJKBOYCECM-VIFPVBQESA-N 0 3 242.348 0.797 20 0 BCADHN COc1ccccc1CN1CCOC2(CNC2)C1 ZINC000663512960 411695953 /nfs/dbraw/zinc/69/59/53/411695953.db2.gz LIUNKRKKBMETGX-UHFFFAOYSA-N 0 3 248.326 0.869 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661200324 411733176 /nfs/dbraw/zinc/73/31/76/411733176.db2.gz POSUYYBZGDPIBK-YFKTTZPYSA-N 0 3 240.347 0.556 20 0 BCADHN Cc1cocc1C(=O)Nc1nn(C)c(C)c1CN ZINC000638402670 411742506 /nfs/dbraw/zinc/74/25/06/411742506.db2.gz NRGOMDVLLQECOR-UHFFFAOYSA-N 0 3 248.286 1.341 20 0 BCADHN Cc1cnn(-c2cccc(NCCN(C)C)n2)c1 ZINC000373138877 411743145 /nfs/dbraw/zinc/74/31/45/411743145.db2.gz LSIBITCSAMHNAQ-UHFFFAOYSA-N 0 3 245.330 1.549 20 0 BCADHN CC[C@H](N)C(=O)Nc1ccn([C@@H](C)COC)n1 ZINC000563096606 411750804 /nfs/dbraw/zinc/75/08/04/411750804.db2.gz CCVLQDJFEFOODW-IUCAKERBSA-N 0 3 240.307 0.766 20 0 BCADHN CCc1[nH]nc(NC(=O)[C@H]2CCN2)c1C ZINC000335382353 411757294 /nfs/dbraw/zinc/75/72/94/411757294.db2.gz ZBWIAGCPLDPZHE-MRVPVSSYSA-N 0 3 208.265 0.581 20 0 BCADHN CCN1CCCN(C(=O)C2CCOCC2)CC1 ZINC000133476561 411769804 /nfs/dbraw/zinc/76/98/04/411769804.db2.gz XOOVRQKOBPMFEK-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN Cc1cc(N[C@H](CO)CN(C)C)ncn1 ZINC000663910861 411771484 /nfs/dbraw/zinc/77/14/84/411771484.db2.gz QJTDKTDGPOBXOY-VIFPVBQESA-N 0 3 210.281 0.119 20 0 BCADHN CCc1cc(N[C@@H](CO)CN(C)C)nc(C)n1 ZINC000663910944 411771686 /nfs/dbraw/zinc/77/16/86/411771686.db2.gz SIKXPGJXCZZBFV-LLVKDONJSA-N 0 3 238.335 0.682 20 0 BCADHN COc1nc(C)cc(NC[C@H]2CCCN2C)n1 ZINC000354505036 411773419 /nfs/dbraw/zinc/77/34/19/411773419.db2.gz LFCVLXBLPGQULI-SNVBAGLBSA-N 0 3 236.319 1.300 20 0 BCADHN CCCNC(=O)CN1CCCC[C@@H]1[C@H](C)CO ZINC000661431042 411773443 /nfs/dbraw/zinc/77/34/43/411773443.db2.gz BFABUJJWFSWHCB-VXGBXAGGSA-N 0 3 242.363 0.996 20 0 BCADHN COC[C@H](O)CN1CC2(CCC2)OC[C@H]1C ZINC000661462994 411779976 /nfs/dbraw/zinc/77/99/76/411779976.db2.gz LZQDPAVCKUOTTK-GHMZBOCLSA-N 0 3 229.320 0.637 20 0 BCADHN C[C@H]1CCCN(CC(=O)N2CCC2)[C@@H]1CCO ZINC000661488725 411785800 /nfs/dbraw/zinc/78/58/00/411785800.db2.gz MKTNEUPMVKKUID-NWDGAFQWSA-N 0 3 240.347 0.702 20 0 BCADHN OCCN1CCCC[C@H]1CNc1cnccn1 ZINC000663954593 411790341 /nfs/dbraw/zinc/79/03/41/411790341.db2.gz TYCBPGAMYJXWCR-NSHDSACASA-N 0 3 236.319 0.735 20 0 BCADHN C[C@@H]1C[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000072782070 411721409 /nfs/dbraw/zinc/72/14/09/411721409.db2.gz VCFNXZINDCPQPI-NEPJUHHUSA-N 0 3 239.363 0.396 20 0 BCADHN CC(C)NC(=O)CN[C@@H](CO)C1CCC1 ZINC000661156483 411722380 /nfs/dbraw/zinc/72/23/80/411722380.db2.gz JQVHOENTNFGNCG-JTQLQIEISA-N 0 3 214.309 0.262 20 0 BCADHN Cc1cn(C)nc1NC(=O)[C@H]1CCN(C)C1 ZINC000620920974 411724063 /nfs/dbraw/zinc/72/40/63/411724063.db2.gz DWUFBQMITWVVOU-VIFPVBQESA-N 0 3 222.292 0.619 20 0 BCADHN CNC(=O)CCN1CCO[C@](C)(C2CC2)C1 ZINC000661166181 411727300 /nfs/dbraw/zinc/72/73/00/411727300.db2.gz BRZKSZBMHRJBNP-LBPRGKRZSA-N 0 3 226.320 0.623 20 0 BCADHN COCCCN1CCc2nnc(N)cc2C1 ZINC000369759765 411863866 /nfs/dbraw/zinc/86/38/66/411863866.db2.gz JUOMYTQULMPCSA-UHFFFAOYSA-N 0 3 222.292 0.453 20 0 BCADHN Cc1nnc([N-][C@H]2C[N@H+](C(C)C)C[C@H]2C)o1 ZINC000328616573 411800692 /nfs/dbraw/zinc/80/06/92/411800692.db2.gz SRHMWNDCNSGRAR-SCZZXKLOSA-N 0 3 224.308 1.519 20 0 BCADHN Cc1nnc([N-][C@H]2C[N@@H+](C(C)C)C[C@H]2C)o1 ZINC000328616573 411800695 /nfs/dbraw/zinc/80/06/95/411800695.db2.gz SRHMWNDCNSGRAR-SCZZXKLOSA-N 0 3 224.308 1.519 20 0 BCADHN Cc1nnc(NCC2=CCN(C)CC2)nc1C ZINC000330035603 411801782 /nfs/dbraw/zinc/80/17/82/411801782.db2.gz BVIPTMGKDVDFDG-UHFFFAOYSA-N 0 3 233.319 1.162 20 0 BCADHN CC[C@@H](C)CC(=O)NCC1(O)CCN(C)CC1 ZINC000359427652 170687213 /nfs/dbraw/zinc/68/72/13/170687213.db2.gz OYBPRZMLPXHIPN-LLVKDONJSA-N 0 3 242.363 0.996 20 0 BCADHN Cc1nnc2c(NCC3(N(C)C)CC3)nccn12 ZINC000397952551 411805324 /nfs/dbraw/zinc/80/53/24/411805324.db2.gz CMOWFSPZEWRMHW-UHFFFAOYSA-N 0 3 246.318 0.939 20 0 BCADHN CC(C)N1CCCC[C@@H]1Cn1ncn(C)c1=O ZINC000664000243 411809311 /nfs/dbraw/zinc/80/93/11/411809311.db2.gz ZYJPWQBMYRXQGG-LLVKDONJSA-N 0 3 238.335 0.845 20 0 BCADHN NC(=O)C1(NC[C@H]2CCCCO2)CCOCC1 ZINC000661594067 411810041 /nfs/dbraw/zinc/81/00/41/411810041.db2.gz GTAFHQDTFTYKFF-SNVBAGLBSA-N 0 3 242.319 0.180 20 0 BCADHN CC[C@@H](O)CN(C)C[C@@H]1COCCO1 ZINC000661603086 411814485 /nfs/dbraw/zinc/81/44/85/411814485.db2.gz GFLOFKGBBCMJKZ-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN CC(C)[C@H](O)CN(C)C[C@H]1COCCO1 ZINC000661613355 411815902 /nfs/dbraw/zinc/81/59/02/411815902.db2.gz XXUHGFXGKLWPTF-WDEREUQCSA-N 0 3 217.309 0.351 20 0 BCADHN CN(C[C@H]1COCCO1)[C@H]1CCOC1 ZINC000661611242 411816565 /nfs/dbraw/zinc/81/65/65/411816565.db2.gz ITKMFPGFAVQEFN-UWVGGRQHSA-N 0 3 201.266 0.123 20 0 BCADHN Cc1nccn1CCN(C)C[C@H]1COCCO1 ZINC000661613267 411816663 /nfs/dbraw/zinc/81/66/63/411816663.db2.gz XOSYPUFKLFLKSX-LBPRGKRZSA-N 0 3 239.319 0.539 20 0 BCADHN CCC[C@H](O)CN(C)C[C@@H]1COCCO1 ZINC000661614073 411818660 /nfs/dbraw/zinc/81/86/60/411818660.db2.gz NLLAATHVEIQKBV-WDEREUQCSA-N 0 3 217.309 0.495 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661621186 411820090 /nfs/dbraw/zinc/82/00/90/411820090.db2.gz BTRGNAOGTHPCDD-OPRDCNLKSA-N 0 3 240.347 0.602 20 0 BCADHN C[C@H]1CN(Cc2cnc[nH]2)C[C@H](C)C1O ZINC000661621030 411820353 /nfs/dbraw/zinc/82/03/53/411820353.db2.gz CQKYLTMWPUPBCE-IUCAKERBSA-N 0 3 209.293 0.858 20 0 BCADHN C[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@@H](C)C1O ZINC000661621405 411820631 /nfs/dbraw/zinc/82/06/31/411820631.db2.gz DMJILYARXYKVDX-GMTAPVOTSA-N 0 3 240.347 0.556 20 0 BCADHN CCCNC(=O)[C@H](C)N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661620849 411821050 /nfs/dbraw/zinc/82/10/50/411821050.db2.gz AWKXFYVRGYLEAE-DCAQKATOSA-N 0 3 242.363 0.850 20 0 BCADHN CCCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661620850 411821087 /nfs/dbraw/zinc/82/10/87/411821087.db2.gz AWKXFYVRGYLEAE-KXNHARMFSA-N 0 3 242.363 0.850 20 0 BCADHN C[C@@H]1CN([C@H]2CCCNC2=O)C[C@H](C)[C@H]1O ZINC000661627947 411823694 /nfs/dbraw/zinc/82/36/94/411823694.db2.gz RRDHZKQTFSGGSZ-ZRUFSTJUSA-N 0 3 226.320 0.214 20 0 BCADHN CN(C)C(=O)CN1CCC[C@@](O)(C2CC2)C1 ZINC000661630327 411824214 /nfs/dbraw/zinc/82/42/14/411824214.db2.gz HCDWHBPVOGSHRF-LBPRGKRZSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@@H](C)C1O ZINC000661633685 411825945 /nfs/dbraw/zinc/82/59/45/411825945.db2.gz ZAJREYUUQULQDG-BBBLOLIVSA-N 0 3 226.320 0.166 20 0 BCADHN CC(=O)[C@](C)(O)CN1CCC[C@](O)(C2CC2)C1 ZINC000661632723 411826352 /nfs/dbraw/zinc/82/63/52/411826352.db2.gz RZECUDPEWJGGDK-CHWSQXEVSA-N 0 3 241.331 0.563 20 0 BCADHN CC(=O)[C@@](C)(O)CN1CCC[C@](O)(C2CC2)C1 ZINC000661632725 411826543 /nfs/dbraw/zinc/82/65/43/411826543.db2.gz RZECUDPEWJGGDK-QWHCGFSZSA-N 0 3 241.331 0.563 20 0 BCADHN Cc1onc(NC(=O)N[C@@H](C)CN(C)C)c1C ZINC000455660099 411827616 /nfs/dbraw/zinc/82/76/16/411827616.db2.gz XCRFBNQYLRLVBW-ZETCQYMHSA-N 0 3 240.307 1.363 20 0 BCADHN CO[C@@H](C)CNC(=O)N1CCN2CCC1CC2 ZINC000661684937 411835743 /nfs/dbraw/zinc/83/57/43/411835743.db2.gz ITMASJAGCSCTQZ-JTQLQIEISA-N 0 3 241.335 0.511 20 0 BCADHN Cn1ccc(NC(=O)[C@@H]2CNCCC2(F)F)n1 ZINC000644052528 411845165 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0.901 20 0 BCADHN CN[C@@H](C)C(=O)NC[C@@H]1CCC[C@@H]1OC ZINC000662511383 412200814 /nfs/dbraw/zinc/20/08/14/412200814.db2.gz JMIAWTMTXVPCTI-GUBZILKMSA-N 0 3 214.309 0.526 20 0 BCADHN C[C@H]1CN(C(=O)c2cnc3n2CCC3)[C@@H](C)CN1 ZINC000662514362 412201247 /nfs/dbraw/zinc/20/12/47/412201247.db2.gz MWCZXUXHQHACRB-UWVGGRQHSA-N 0 3 248.330 0.652 20 0 BCADHN CC(C)NCC(=O)N1CCO[C@H](C(C)C)C1 ZINC000662516143 412201883 /nfs/dbraw/zinc/20/18/83/412201883.db2.gz ZUZWYCBFKNCDNB-NSHDSACASA-N 0 3 228.336 0.868 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1ccnc(C)c1 ZINC000662524016 412203670 /nfs/dbraw/zinc/20/36/70/412203670.db2.gz ICPZOXHNHDCWHM-SNVBAGLBSA-N 0 3 207.277 0.748 20 0 BCADHN CC(C)NCC(=O)NCc1ccccc1CO ZINC000662523769 412204194 /nfs/dbraw/zinc/20/41/94/412204194.db2.gz DOZZPKKBHKLLQP-UHFFFAOYSA-N 0 3 236.315 0.793 20 0 BCADHN CC[C@H](NC)C(=O)Nc1ccnc2ccnn21 ZINC000662528563 412205076 /nfs/dbraw/zinc/20/50/76/412205076.db2.gz TXMZSSZZGOKENP-QMMMGPOBSA-N 0 3 233.275 0.666 20 0 BCADHN C[C@H](CNc1ccc(C#N)nn1)N(C)C ZINC000380073288 412208053 /nfs/dbraw/zinc/20/80/53/412208053.db2.gz DQOVNIPXYSTHMX-MRVPVSSYSA-N 0 3 205.265 0.710 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000662542926 412208446 /nfs/dbraw/zinc/20/84/46/412208446.db2.gz RYWNZRTXHNDLEK-HBNTYKKESA-N 0 3 242.363 0.850 20 0 BCADHN COCCNCCNC(=O)Cc1occc1C ZINC000662550277 412212610 /nfs/dbraw/zinc/21/26/10/412212610.db2.gz GJNCHOCPRBLMSZ-UHFFFAOYSA-N 0 3 240.303 0.483 20 0 BCADHN C[C@H](N)C(=O)Nc1cc(C2CCOCC2)[nH]n1 ZINC000353725468 412213223 /nfs/dbraw/zinc/21/32/23/412213223.db2.gz AHHUMWXKGPHCFP-ZETCQYMHSA-N 0 3 238.291 0.589 20 0 BCADHN O=C(Cc1cc(C2CC2)no1)N1CCCNCC1 ZINC000662395372 412144398 /nfs/dbraw/zinc/14/43/98/412144398.db2.gz GCPORWBSFWPVPW-UHFFFAOYSA-N 0 3 249.314 0.916 20 0 BCADHN Cc1ccoc1CC(=O)N1CCCNCC1 ZINC000662396106 412145558 /nfs/dbraw/zinc/14/55/58/412145558.db2.gz PMDKZRNODWTRIH-UHFFFAOYSA-N 0 3 222.288 0.952 20 0 BCADHN CC(C)n1nccc1C(=O)N1CCCNCC1 ZINC000662396384 412145965 /nfs/dbraw/zinc/14/59/65/412145965.db2.gz VTGIBWUWPGNHBR-UHFFFAOYSA-N 0 3 236.319 0.900 20 0 BCADHN C[C@@H]1C[C@@H](Nc2nccn3nnnc23)CCN1C ZINC000531379654 412148279 /nfs/dbraw/zinc/14/82/79/412148279.db2.gz XKHHKHPMGVTRNV-BDAKNGLRSA-N 0 3 247.306 0.414 20 0 BCADHN CN(C)C1(CNC(=O)Nc2ccn(C)n2)CC1 ZINC000639614829 412153405 /nfs/dbraw/zinc/15/34/05/412153405.db2.gz PWESVWFTBAOXIF-UHFFFAOYSA-N 0 3 237.307 0.636 20 0 BCADHN CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC)NC ZINC000662419511 412161886 /nfs/dbraw/zinc/16/18/86/412161886.db2.gz JBVZXOIFVVFQLK-GUBZILKMSA-N 0 3 243.351 0.404 20 0 BCADHN CN(C)CCSCC(=O)Nc1ccon1 ZINC000611131960 412162438 /nfs/dbraw/zinc/16/24/38/412162438.db2.gz GGZKFEFSNXUACM-UHFFFAOYSA-N 0 3 229.305 0.908 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1ccc[nH]c1=O ZINC000662425828 412164877 /nfs/dbraw/zinc/16/48/77/412164877.db2.gz JAHCFYKEADXOIC-SSDOTTSWSA-N 0 3 209.249 0.724 20 0 BCADHN CN1CCN(C(=O)[C@H]2CCC2(C)C)[C@@H](CN)C1 ZINC000662430065 412168482 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/nfs/dbraw/zinc/27/51/00/412275100.db2.gz ABAFXXWRQXNGKO-GARJFASQSA-N 0 3 224.304 0.233 20 0 BCADHN C[C@H]1[C@@H](Nc2ccc3nncn3n2)CCCN1C ZINC000450441769 412275521 /nfs/dbraw/zinc/27/55/21/412275521.db2.gz RRUSCXFDHAAORL-UWVGGRQHSA-N 0 3 246.318 1.019 20 0 BCADHN C[C@H]1[C@@H](Nc2ccnc(N(C)C)n2)CCCN1C ZINC000343612178 412275558 /nfs/dbraw/zinc/27/55/58/412275558.db2.gz VLNIHSGIPOZMBQ-QWRGUYRKSA-N 0 3 249.362 1.437 20 0 BCADHN O=C(C[C@H]1CNCCO1)NCC1=CCCC1 ZINC000662706639 412277347 /nfs/dbraw/zinc/27/73/47/412277347.db2.gz DRVBDWBRUIJFFP-NSHDSACASA-N 0 3 224.304 0.591 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000662706894 412277492 /nfs/dbraw/zinc/27/74/92/412277492.db2.gz YDSVYTSHYGTIHT-OPRDCNLKSA-N 0 3 208.305 0.853 20 0 BCADHN CC1(C)C[C@]1(C)NC(=O)C[C@H]1CNCCO1 ZINC000662708389 412278825 /nfs/dbraw/zinc/27/88/25/412278825.db2.gz WCXXJNNPBWNNLC-CABZTGNLSA-N 0 3 226.320 0.670 20 0 BCADHN O=C(CNC1CC1)N1CC[C@H]2COC[C@H]2C1 ZINC000662712006 412279527 /nfs/dbraw/zinc/27/95/27/412279527.db2.gz PNRFZHHBYLOFME-VHSXEESVSA-N 0 3 224.304 0.233 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662713536 412280007 /nfs/dbraw/zinc/28/00/07/412280007.db2.gz XFSYQAMPINLXOM-OUAUKWLOSA-N 0 3 238.331 0.479 20 0 BCADHN CC(C)NCC(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000662713844 412280102 /nfs/dbraw/zinc/28/01/02/412280102.db2.gz ZLUJWTBOQHZVDK-GHMZBOCLSA-N 0 3 226.320 0.479 20 0 BCADHN O=C(NCC12CC(C1)C[NH2+]2)c1ccccc1[O-] ZINC000662723374 412284638 /nfs/dbraw/zinc/28/46/38/412284638.db2.gz IYLYIQPYEPEYFT-UHFFFAOYSA-N 0 3 232.283 0.874 20 0 BCADHN Cc1c(NC(=O)[C@@H](C)N)n[nH]c1-c1ccncc1 ZINC000370778905 412287227 /nfs/dbraw/zinc/28/72/27/412287227.db2.gz IFWUNNHRDKCZMC-MRVPVSSYSA-N 0 3 245.286 1.066 20 0 BCADHN CC[C@@H](O)CCNC(=O)C1(NC2CC2)CCC1 ZINC000662556303 412216651 /nfs/dbraw/zinc/21/66/51/412216651.db2.gz OWEUGXFWHRUHOV-LLVKDONJSA-N 0 3 240.347 0.938 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)Nc1ccon1 ZINC000335009863 412220570 /nfs/dbraw/zinc/22/05/70/412220570.db2.gz LSYATIDHRWOKED-VIFPVBQESA-N 0 3 238.291 1.233 20 0 BCADHN CO[C@@H](C)[C@H](C)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665291569 412238186 /nfs/dbraw/zinc/23/81/86/412238186.db2.gz FWYJTOQRNQYORJ-YUMQZZPRSA-N 0 3 240.307 0.154 20 0 BCADHN CO[C@H](CNC(=O)C1(N)CCC1)[C@H]1CCOC1 ZINC000662615018 412241662 /nfs/dbraw/zinc/24/16/62/412241662.db2.gz COWTUKUMYPFSGM-VHSXEESVSA-N 0 3 242.319 0.036 20 0 BCADHN CC(C)(C)N1CC[C@H]1CNC(=O)NCCO ZINC000665367843 412289726 /nfs/dbraw/zinc/28/97/26/412289726.db2.gz DXRQYIDYGXXXKU-VIFPVBQESA-N 0 3 229.324 0.151 20 0 BCADHN Nc1cccc(CNC(=O)[C@@H](N)CC(F)F)c1 ZINC000662615281 412243705 /nfs/dbraw/zinc/24/37/05/412243705.db2.gz ZZUFASGLXPGNOQ-VIFPVBQESA-N 0 3 243.257 0.868 20 0 BCADHN COC[C@@H](CCNC(=O)[C@@H](N)C1CCC1)OC ZINC000662618426 412244313 /nfs/dbraw/zinc/24/43/13/412244313.db2.gz XJQKLTXVWDNLGU-MNOVXSKESA-N 0 3 244.335 0.282 20 0 BCADHN CNCC(=O)NCc1cccnc1N1CCCC1 ZINC000662623355 412245659 /nfs/dbraw/zinc/24/56/59/412245659.db2.gz MXLDTMXZMBITPK-UHFFFAOYSA-N 0 3 248.330 0.517 20 0 BCADHN CC[C@H](C)CCNC(=O)C[C@@H]1CNCCO1 ZINC000662626529 412247491 /nfs/dbraw/zinc/24/74/91/412247491.db2.gz IQFVFJGHRNWAPM-WDEREUQCSA-N 0 3 228.336 0.917 20 0 BCADHN N[C@@H](C(=O)NCCO[C@H]1CC1(F)F)C1CCC1 ZINC000662645041 412253916 /nfs/dbraw/zinc/25/39/16/412253916.db2.gz HGZLOVIQHSVJEQ-DTWKUNHWSA-N 0 3 248.273 0.654 20 0 BCADHN N[C@@H](C(=O)NCCO[C@@H]1CC1(F)F)C1CCC1 ZINC000662645043 412254035 /nfs/dbraw/zinc/25/40/35/412254035.db2.gz HGZLOVIQHSVJEQ-RKDXNWHRSA-N 0 3 248.273 0.654 20 0 BCADHN CN[C@@H](C)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000662803286 412306555 /nfs/dbraw/zinc/30/65/55/412306555.db2.gz HEHYONJCOSGZFT-GUBZILKMSA-N 0 3 214.309 0.214 20 0 BCADHN CCn1nccc1CNC(=O)[C@@H](N)C(C)(C)C ZINC000663001109 412366340 /nfs/dbraw/zinc/36/63/40/412366340.db2.gz OPBACUPXCGTXJK-SNVBAGLBSA-N 0 3 238.335 0.893 20 0 BCADHN C[C@H]1C[C@@H](NC(=O)c2ncccc2N)CCN1C ZINC000132825705 412310787 /nfs/dbraw/zinc/31/07/87/412310787.db2.gz XHNFXXUALJDRMQ-UWVGGRQHSA-N 0 3 248.330 0.876 20 0 BCADHN CNc1ccc(NC(=O)[C@H]2C[C@H](C)CCN2)cn1 ZINC000417858144 412312804 /nfs/dbraw/zinc/31/28/04/412312804.db2.gz UUPJBUUDCFDGDR-MWLCHTKSSA-N 0 3 248.330 1.450 20 0 BCADHN CN(C)CCN(C)C(=O)N[C@H]1COC(C)(C)C1 ZINC000665408548 412313136 /nfs/dbraw/zinc/31/31/36/412313136.db2.gz MVGIFPZNNIFABV-SNVBAGLBSA-N 0 3 243.351 0.757 20 0 BCADHN CC[C@@H](N)C(=O)N1CCC[C@@H](OC)CC1 ZINC000662835090 412315108 /nfs/dbraw/zinc/31/51/08/412315108.db2.gz LCSIFWMXNCBCDM-NXEZZACHSA-N 0 3 214.309 0.751 20 0 BCADHN CNCC(=O)N1CCC[C@H](OC)CC1 ZINC000662834130 412315410 /nfs/dbraw/zinc/31/54/10/412315410.db2.gz DSNPQDLBVRSAKR-VIFPVBQESA-N 0 3 200.282 0.233 20 0 BCADHN CN(Cc1cnc[nH]1)C(=O)[C@H]1CSCN1 ZINC000662838256 412316728 /nfs/dbraw/zinc/31/67/28/412316728.db2.gz FUNWYZBIMWUIMT-MRVPVSSYSA-N 0 3 226.305 0.031 20 0 BCADHN COCCNCC(=O)N1CCC[C@@H](OC)CC1 ZINC000662835846 412317121 /nfs/dbraw/zinc/31/71/21/412317121.db2.gz SGHAYCFWPADOLA-LLVKDONJSA-N 0 3 244.335 0.250 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC[C@H](COC)OC ZINC000662848201 412320720 /nfs/dbraw/zinc/32/07/20/412320720.db2.gz WBNQZXITKHTFIE-MXWKQRLJSA-N 0 3 246.351 0.528 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCC[C@@H](COC)OC ZINC000662848202 412321173 /nfs/dbraw/zinc/32/11/73/412321173.db2.gz WBNQZXITKHTFIE-VWYCJHECSA-N 0 3 246.351 0.528 20 0 BCADHN CC(C)c1cc(NC(=O)[C@@H]2CCN(C)C2)n[nH]1 ZINC000386206946 412321688 /nfs/dbraw/zinc/32/16/88/412321688.db2.gz GMCWBAHKTZOISB-SECBINFHSA-N 0 3 236.319 1.423 20 0 BCADHN CC(C)[C@H](N)C(=O)N[C@@H](CO)C1CCC1 ZINC000662850790 412321862 /nfs/dbraw/zinc/32/18/62/412321862.db2.gz WHUWKWWODWQEGA-UWVGGRQHSA-N 0 3 214.309 0.247 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000662849187 412322003 /nfs/dbraw/zinc/32/20/03/412322003.db2.gz LQJITSIEWUELJV-LLVKDONJSA-N 0 3 247.298 0.648 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N[C@H](CO)C1CCC1 ZINC000662851484 412323324 /nfs/dbraw/zinc/32/33/24/412323324.db2.gz AUWMVLZHKNPGDN-ZJUUUORDSA-N 0 3 226.320 0.262 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000219018382 412324713 /nfs/dbraw/zinc/32/47/13/412324713.db2.gz OZCOJXJRUDTZBI-KKZNHRDASA-N 0 3 241.335 0.001 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ccnn1CC ZINC000663000624 412366981 /nfs/dbraw/zinc/36/69/81/412366981.db2.gz LHTRZMBEKRXDPO-SECBINFHSA-N 0 3 210.281 0.257 20 0 BCADHN C[C@H](COc1c(F)cccc1F)NC(=O)CN ZINC000662870273 412330079 /nfs/dbraw/zinc/33/00/79/412330079.db2.gz BLKOFGDJJDHDED-SSDOTTSWSA-N 0 3 244.241 0.807 20 0 BCADHN CN(CC1=CCCOC1)C(=O)[C@H]1CCCCN1 ZINC000662871637 412331159 /nfs/dbraw/zinc/33/11/59/412331159.db2.gz BIRGJLYAYOVLJW-GFCCVEGCSA-N 0 3 238.331 0.934 20 0 BCADHN CC1(C)C[C@H](NCCNc2cnccn2)CO1 ZINC000557189818 412331277 /nfs/dbraw/zinc/33/12/77/412331277.db2.gz VKSKLEMEZSPKMY-JTQLQIEISA-N 0 3 236.319 1.046 20 0 BCADHN NCC(=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC000662884971 412334308 /nfs/dbraw/zinc/33/43/08/412334308.db2.gz WMSYVOCSEYGKGH-NSHDSACASA-N 0 3 238.262 0.684 20 0 BCADHN CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000662879963 412335269 /nfs/dbraw/zinc/33/52/69/412335269.db2.gz HNLBGUMWKPUNSQ-GIPNMCIBSA-N 0 3 240.347 0.855 20 0 BCADHN CC(F)(F)CNC(=O)C[C@@H]1CSCCN1 ZINC000662897072 412338458 /nfs/dbraw/zinc/33/84/58/412338458.db2.gz CKMWJZXSGKMKPY-SSDOTTSWSA-N 0 3 238.303 0.853 20 0 BCADHN CC(F)(F)CNC(=O)[C@H]1NCC1(C)C ZINC000662897049 412338919 /nfs/dbraw/zinc/33/89/19/412338919.db2.gz BWCUGZFPVZUFRS-ZCFIWIBFSA-N 0 3 206.236 0.756 20 0 BCADHN CCn1ccnc1[C@@H](C)NC(=O)[C@@H](C)N ZINC000662899993 412339631 /nfs/dbraw/zinc/33/96/31/412339631.db2.gz JXEDAQAQOKGZEB-HTQZYQBOSA-N 0 3 210.281 0.427 20 0 BCADHN CC[C@@H](N)C(=O)N[C@H](C)c1nccn1CC ZINC000662899618 412339755 /nfs/dbraw/zinc/33/97/55/412339755.db2.gz GXDOMEZLASMRDY-RKDXNWHRSA-N 0 3 224.308 0.818 20 0 BCADHN CCn1ccnc1[C@H](C)NC(=O)[C@@H](C)N ZINC000662899995 412340372 /nfs/dbraw/zinc/34/03/72/412340372.db2.gz JXEDAQAQOKGZEB-SFYZADRCSA-N 0 3 210.281 0.427 20 0 BCADHN CCn1ccnc1[C@@H](C)NC(=O)[C@H](C)NC ZINC000662902586 412341312 /nfs/dbraw/zinc/34/13/12/412341312.db2.gz QFELCRWRMCFECA-BDAKNGLRSA-N 0 3 224.308 0.688 20 0 BCADHN O=C(Nc1n[nH]c2ccc(F)cc21)[C@H]1CCN1 ZINC000336174020 412343554 /nfs/dbraw/zinc/34/35/54/412343554.db2.gz JGVWIQXZXLKPHA-SECBINFHSA-N 0 3 234.234 1.002 20 0 BCADHN CC[C@@H](N)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000662911529 412343743 /nfs/dbraw/zinc/34/37/43/412343743.db2.gz RGCBTVSMCGDKBL-PWSUYJOCSA-N 0 3 226.320 0.753 20 0 BCADHN NCC(=O)NCCc1nsc2ccccc12 ZINC000662920820 412346372 /nfs/dbraw/zinc/34/63/72/412346372.db2.gz GNQAVGUGVCBREE-UHFFFAOYSA-N 0 3 235.312 0.914 20 0 BCADHN C[C@@H](NC(=O)[C@H]1CCCCN1)c1nccn1C ZINC000662935779 412349372 /nfs/dbraw/zinc/34/93/72/412349372.db2.gz ZQFKHAWVVTZUKS-NXEZZACHSA-N 0 3 236.319 0.739 20 0 BCADHN O=C(Nc1cc(C(F)(F)F)n[nH]1)[C@H]1CCN1 ZINC000335367178 412349629 /nfs/dbraw/zinc/34/96/29/412349629.db2.gz DBITZTMGUUOZQJ-SCSAIBSYSA-N 0 3 234.181 0.729 20 0 BCADHN CCCc1cc(NC(=O)[C@H]2CCN(C)C2)n[nH]1 ZINC000386229750 412368031 /nfs/dbraw/zinc/36/80/31/412368031.db2.gz LZXBVKCMBCLCDF-VIFPVBQESA-N 0 3 236.319 1.252 20 0 BCADHN CN(CCO)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000665554447 412361601 /nfs/dbraw/zinc/36/16/01/412361601.db2.gz MFQDTSLKVMZYFZ-JTQLQIEISA-N 0 3 243.351 0.493 20 0 BCADHN Cc1cc2nccc(NC(=O)CNC3CC3)n2n1 ZINC000662989925 412364010 /nfs/dbraw/zinc/36/40/10/412364010.db2.gz OLKNDHTUYHDWJK-UHFFFAOYSA-N 0 3 245.286 0.728 20 0 BCADHN Cn1ncc2c1CCCN(C(=O)C1(N)CCC1)C2 ZINC000662760722 412292613 /nfs/dbraw/zinc/29/26/13/412292613.db2.gz KKGZUJIKSFNPJD-UHFFFAOYSA-N 0 3 248.330 0.576 20 0 BCADHN C[C@@H](N)C(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC000662761267 412293561 /nfs/dbraw/zinc/29/35/61/412293561.db2.gz OGKFAVOIJJUYDC-RKDXNWHRSA-N 0 3 236.319 0.677 20 0 BCADHN CNCC(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000662762404 412294109 /nfs/dbraw/zinc/29/41/09/412294109.db2.gz VTBDRYYJRWNNHJ-GXSJLCMTSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1cc(CC(=O)N2C[C@H](C)NC[C@@H]2C)on1 ZINC000662763783 412295062 /nfs/dbraw/zinc/29/50/62/412295062.db2.gz DEVCAVDGKZTQFF-UWVGGRQHSA-N 0 3 237.303 0.734 20 0 BCADHN CN[C@@H](C)C(=O)Nc1n[nH]c2ccc(F)cc21 ZINC000568236109 412296447 /nfs/dbraw/zinc/29/64/47/412296447.db2.gz AWLQABYHMHDALO-LURJTMIESA-N 0 3 236.250 1.248 20 0 BCADHN CCn1nccc1CNC(=O)C1(N)CCC1 ZINC000663000299 412365971 /nfs/dbraw/zinc/36/59/71/412365971.db2.gz FYZXRRHEADEAFE-UHFFFAOYSA-N 0 3 222.292 0.401 20 0 BCADHN O=C(NCCn1cccn1)C1(NC2CC2)CCC1 ZINC000662787764 412302570 /nfs/dbraw/zinc/30/25/70/412302570.db2.gz FKULLXFTNOZYKW-UHFFFAOYSA-N 0 3 248.330 0.674 20 0 BCADHN CC(C)[C@H](C(=O)N[C@H]1C[C@@H](O)C1)N(C)C ZINC000665575634 412369763 /nfs/dbraw/zinc/36/97/63/412369763.db2.gz JCDQEUAIFAKLDL-KXUCPTDWSA-N 0 3 214.309 0.212 20 0 BCADHN CC1(C)Cc2n[nH]cc2CN(C(=O)CN)C1 ZINC000663019767 412372848 /nfs/dbraw/zinc/37/28/48/412372848.db2.gz OJXDPVFSPHEWMG-UHFFFAOYSA-N 0 3 222.292 0.279 20 0 BCADHN CCN(C)CCNc1ncc(C(=O)OC)cn1 ZINC000341782133 412373184 /nfs/dbraw/zinc/37/31/84/412373184.db2.gz YSOCSSPDZBZBRZ-UHFFFAOYSA-N 0 3 238.291 0.627 20 0 BCADHN C[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)C1CC1 ZINC000663222194 412394632 /nfs/dbraw/zinc/39/46/32/412394632.db2.gz UUGGUBIIHDHKIH-FXBDTBDDSA-N 0 3 229.299 0.866 20 0 BCADHN CNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000663237674 412395514 /nfs/dbraw/zinc/39/55/14/412395514.db2.gz MPLWHWDDBVYERU-SNVBAGLBSA-N 0 3 227.308 0.169 20 0 BCADHN O=C1NCCC[C@@H]1NCc1ccc(CO)cc1 ZINC000133069482 412395706 /nfs/dbraw/zinc/39/57/06/412395706.db2.gz WGJNBAOFDAPFQJ-LBPRGKRZSA-N 0 3 234.299 0.547 20 0 BCADHN COc1c(N)ncnc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000663237820 412397920 /nfs/dbraw/zinc/39/79/20/412397920.db2.gz SXUXGSVBBWQMLZ-DTORHVGOSA-N 0 3 249.318 0.398 20 0 BCADHN CCOc1cc(N2CC[C@@H](F)[C@H](N)C2)ncn1 ZINC000663276981 412406121 /nfs/dbraw/zinc/40/61/21/412406121.db2.gz OUBHEPBRCWNIBA-RKDXNWHRSA-N 0 3 240.282 0.751 20 0 BCADHN CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](N)CC(C)C ZINC000162721479 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COCC1(O)CCN(C[C@@H](O)CSC)CC1 ZINC000331190372 174111492 /nfs/dbraw/zinc/11/14/92/174111492.db2.gz VOJBFEPOKLPROV-SNVBAGLBSA-N 0 3 249.376 0.184 20 0 BCADHN COCC1CCN([C@H]2CCNC2=O)CC1 ZINC000336618009 174121251 /nfs/dbraw/zinc/12/12/51/174121251.db2.gz VWIFALAWTZKEDF-JTQLQIEISA-N 0 3 212.293 0.233 20 0 BCADHN COCCC(=O)N(CCN(C)C)C1CC1 ZINC000362305264 174121666 /nfs/dbraw/zinc/12/16/66/174121666.db2.gz LQUXQMUFCNVMHJ-UHFFFAOYSA-N 0 3 214.309 0.576 20 0 BCADHN COCCC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000119356919 174124298 /nfs/dbraw/zinc/12/42/98/174124298.db2.gz MRPARRWHLVQJQW-VXGBXAGGSA-N 0 3 240.347 0.966 20 0 BCADHN COCCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363094494 174130449 /nfs/dbraw/zinc/13/04/49/174130449.db2.gz AOSMEAIHADHYAR-QWRGUYRKSA-N 0 3 242.319 0.002 20 0 BCADHN COCCCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000374913477 174163151 /nfs/dbraw/zinc/16/31/51/174163151.db2.gz QBHILFQRKCTOJQ-RYUDHWBXSA-N 0 3 240.347 0.966 20 0 BCADHN COCCCCC(=O)N[C@H](C)CN(C)C ZINC000346141231 174174602 /nfs/dbraw/zinc/17/46/02/174174602.db2.gz QKRDNGVYPVKRCD-SNVBAGLBSA-N 0 3 216.325 0.869 20 0 BCADHN COCCCCN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000189544832 174192894 /nfs/dbraw/zinc/19/28/94/174192894.db2.gz IVWJMTRUKBYIMU-CHWSQXEVSA-N 0 3 244.379 0.800 20 0 BCADHN COCCCCNC(=O)[C@H]1CCCCN1 ZINC000044659799 174199363 /nfs/dbraw/zinc/19/93/63/174199363.db2.gz ABHNFEYPEQGAFA-SNVBAGLBSA-N 0 3 214.309 0.671 20 0 BCADHN COCCCN(CCO)Cc1ccccn1 ZINC000189880539 174223673 /nfs/dbraw/zinc/22/36/73/174223673.db2.gz XKQBIVKUEUOVMR-UHFFFAOYSA-N 0 3 224.304 0.912 20 0 BCADHN COCCCN(CCOC)CCn1cccn1 ZINC000064143001 174224849 /nfs/dbraw/zinc/22/48/49/174224849.db2.gz MVACFOJXLSDSFV-UHFFFAOYSA-N 0 3 241.335 0.868 20 0 BCADHN COCCCN1CCN(C[C@@H]2CCOC2)CC1 ZINC000336688194 174229897 /nfs/dbraw/zinc/22/98/97/174229897.db2.gz GWZHGAPZXVHGGT-ZDUSSCGKSA-N 0 3 242.363 0.677 20 0 BCADHN COCCCN1CCN2CCOC[C@@H]2C1 ZINC000375239299 174230773 /nfs/dbraw/zinc/23/07/73/174230773.db2.gz FPCYKORMEGCVJB-NSHDSACASA-N 0 3 214.309 0.039 20 0 BCADHN COCCCN1CCSC[C@H]1CO ZINC000336656322 174233759 /nfs/dbraw/zinc/23/37/59/174233759.db2.gz PUKLEGATWZILSQ-SECBINFHSA-N 0 3 205.323 0.433 20 0 BCADHN COCCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368958594 174235126 /nfs/dbraw/zinc/23/51/26/174235126.db2.gz MDMCIBPNJIMDSG-DCAQKATOSA-N 0 3 226.320 0.609 20 0 BCADHN COCCCNC(=O)CN1CC[C@@H](C)C1 ZINC000338257496 174238471 /nfs/dbraw/zinc/23/84/71/174238471.db2.gz PKGITTTTXLGBQN-SNVBAGLBSA-N 0 3 214.309 0.481 20 0 BCADHN COCCCNC(=O)CN1CC[C@@H](COC)C1 ZINC000352879068 174238915 /nfs/dbraw/zinc/23/89/15/174238915.db2.gz FOOFSPHMSCLYKB-LLVKDONJSA-N 0 3 244.335 0.107 20 0 BCADHN COCCCNC(=O)CN[C@@H]1CCOC1(C)C ZINC000336890947 174239171 /nfs/dbraw/zinc/23/91/71/174239171.db2.gz IADFSZZOYPJDHT-SNVBAGLBSA-N 0 3 244.335 0.296 20 0 BCADHN COCCCNC(=O)[C@@H](C)N1CC[C@H](C)C1 ZINC000337683702 174242101 /nfs/dbraw/zinc/24/21/01/174242101.db2.gz JDGQQZZHSXCDRD-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN COCCCNCc1cccc(C(N)=O)c1 ZINC000036926652 174248656 /nfs/dbraw/zinc/24/86/56/174248656.db2.gz MDYULLVHUXEDMI-UHFFFAOYSA-N 0 3 222.288 0.912 20 0 BCADHN COCCCN[C@@H](CO)c1cnn(C)c1 ZINC000309034789 174249385 /nfs/dbraw/zinc/24/93/85/174249385.db2.gz HLVFAEWNFGOTGR-JTQLQIEISA-N 0 3 213.281 0.080 20 0 BCADHN COCCCN[C@H](Cc1ccccc1)C(N)=O ZINC000273456063 174251105 /nfs/dbraw/zinc/25/11/05/174251105.db2.gz GSMOPGKSFGZYPZ-GFCCVEGCSA-N 0 3 236.315 0.709 20 0 BCADHN COCCCOCC(=O)N1CCNC(C)(C)C1 ZINC000330640465 174253013 /nfs/dbraw/zinc/25/30/13/174253013.db2.gz BQBSDCPHTJGNPE-UHFFFAOYSA-N 0 3 244.335 0.250 20 0 BCADHN COCCCn1nccc1CNCC(C)(C)O ZINC000338439388 174267326 /nfs/dbraw/zinc/26/73/26/174267326.db2.gz YKKOJQQAHYOBIH-UHFFFAOYSA-N 0 3 241.335 0.780 20 0 BCADHN COCCCn1nccc1CNCC[C@@H](C)O ZINC000282580373 174267492 /nfs/dbraw/zinc/26/74/92/174267492.db2.gz GCEPWESRZRQVAP-LLVKDONJSA-N 0 3 241.335 0.780 20 0 BCADHN COCCN(C)C(=O)/C=C/CN(C)C ZINC000265649600 174269824 /nfs/dbraw/zinc/26/98/24/174269824.db2.gz OBAQQYOULFHGIZ-AATRIKPKSA-N 0 3 200.282 0.209 20 0 BCADHN COCCN(C)C(=O)CC1CCN(C)CC1 ZINC000362635494 174270790 /nfs/dbraw/zinc/27/07/90/174270790.db2.gz SQXPFOZNBODLFP-UHFFFAOYSA-N 0 3 228.336 0.823 20 0 BCADHN COCCN(C)C(=O)NC[C@@H]1CCCN1C ZINC000339934666 174271330 /nfs/dbraw/zinc/27/13/30/174271330.db2.gz YHBHNBWYYCYJPB-JTQLQIEISA-N 0 3 229.324 0.368 20 0 BCADHN COCCN(C)CCN1CCO[C@@H](C)C1 ZINC000337321750 174274626 /nfs/dbraw/zinc/27/46/26/174274626.db2.gz CNSZXUHRMVTKLI-NSHDSACASA-N 0 3 216.325 0.285 20 0 BCADHN COCCN(C)CCNC(=O)C(C)(C)C ZINC000112260166 174274732 /nfs/dbraw/zinc/27/47/32/174274732.db2.gz BBDLASQEGCIPKZ-UHFFFAOYSA-N 0 3 216.325 0.727 20 0 BCADHN COCCN(C)CCC(=O)Nc1cc(C)on1 ZINC000054353774 174275543 /nfs/dbraw/zinc/27/55/43/174275543.db2.gz XJIQYJBXPAMZAS-UHFFFAOYSA-N 0 3 241.291 0.890 20 0 BCADHN COCCN(C)CCCNC(=O)c1cnc[nH]1 ZINC000338000678 174275604 /nfs/dbraw/zinc/27/56/04/174275604.db2.gz FHQJVKBWEJQLCZ-UHFFFAOYSA-N 0 3 240.307 0.108 20 0 BCADHN COCCN(C)CCNCc1ncc[nH]1 ZINC000061377908 174276648 /nfs/dbraw/zinc/27/66/48/174276648.db2.gz BJVVADKBOZWCBW-UHFFFAOYSA-N 0 3 212.297 0.078 20 0 BCADHN COCCN(C)CCNC(=O)COC(C)C ZINC000122239099 174277873 /nfs/dbraw/zinc/27/78/73/174277873.db2.gz GRRBGBSENFTXRO-UHFFFAOYSA-N 0 3 232.324 0.106 20 0 BCADHN COCCN(C)CCNC(=O)NC1CC1 ZINC000122131518 174277957 /nfs/dbraw/zinc/27/79/57/174277957.db2.gz UMSOQXFJILQYDO-UHFFFAOYSA-N 0 3 215.297 0.026 20 0 BCADHN COCCN(C)CCNC(=O)c1cccnc1 ZINC000263794663 174277996 /nfs/dbraw/zinc/27/79/96/174277996.db2.gz RLQVUYDJSKHEBA-UHFFFAOYSA-N 0 3 237.303 0.390 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000061380452 174278010 /nfs/dbraw/zinc/27/80/10/174278010.db2.gz GKPHMRRMXPDXCW-SNVBAGLBSA-N 0 3 245.367 0.054 20 0 BCADHN COCCN(C)CCNC(=O)[C@@H](N)CC(C)C ZINC000061380470 174278090 /nfs/dbraw/zinc/27/80/90/174278090.db2.gz YCAMHBSBYNEQIM-NSHDSACASA-N 0 3 245.367 0.054 20 0 BCADHN COCCN(C)C[C@H](O)CC(F)(F)F ZINC000307937153 174279619 /nfs/dbraw/zinc/27/96/19/174279619.db2.gz NUMCLDGGBPEQOE-SSDOTTSWSA-N 0 3 215.215 0.878 20 0 BCADHN COCCN(C)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000272380914 174279833 /nfs/dbraw/zinc/27/98/33/174279833.db2.gz YLLIOXXPPACDCV-SNVBAGLBSA-N 0 3 243.303 0.801 20 0 BCADHN COCCN(CCN(C)C)C(=O)COC(C)C ZINC000355251991 174291355 /nfs/dbraw/zinc/29/13/55/174291355.db2.gz YPEJEQLEPKFIGY-UHFFFAOYSA-N 0 3 246.351 0.448 20 0 BCADHN COCCN(CCN1CCCOCC1)C1CC1 ZINC000361293843 174291895 /nfs/dbraw/zinc/29/18/95/174291895.db2.gz AUABTICQZZOKSE-UHFFFAOYSA-N 0 3 242.363 0.820 20 0 BCADHN COCCN(CCN(C)C)C(=O)[C@H](C)OC ZINC000355251937 174292009 /nfs/dbraw/zinc/29/20/09/174292009.db2.gz YFPUYOXNOMQVSX-JTQLQIEISA-N 0 3 232.324 0.058 20 0 BCADHN COCCN(CCN(C)C)C(=O)[C@H]1CCOC1 ZINC000355241856 174292139 /nfs/dbraw/zinc/29/21/39/174292139.db2.gz JUPBHDZDIYNGOS-NSHDSACASA-N 0 3 244.335 0.060 20 0 BCADHN COCCN(CCN(C)C)Cc1cncnc1 ZINC000289480423 174292567 /nfs/dbraw/zinc/29/25/67/174292567.db2.gz QKNRHLPJSGHWBM-UHFFFAOYSA-N 0 3 238.335 0.487 20 0 BCADHN COCCN(CCO)CCOC(C)C ZINC000104958250 174292691 /nfs/dbraw/zinc/29/26/91/174292691.db2.gz UGLUQUSKBGLJPF-UHFFFAOYSA-N 0 3 205.298 0.352 20 0 BCADHN COCCN(CCO)[C@H]1CCO[C@H]1C ZINC000355693610 174295226 /nfs/dbraw/zinc/29/52/26/174295226.db2.gz ZIKRXKIOQLBBHH-UWVGGRQHSA-N 0 3 203.282 0.105 20 0 BCADHN COCCN(CCOC)CCC(=O)N(C)C ZINC000353857508 174296206 /nfs/dbraw/zinc/29/62/06/174296206.db2.gz SPPOEPWWRDPGAY-UHFFFAOYSA-N 0 3 232.324 0.060 20 0 BCADHN COCCN(C[C@@H](C)O)[C@@H]1CCOC1 ZINC000337254999 174297205 /nfs/dbraw/zinc/29/72/05/174297205.db2.gz SODJFYUMEOUUPK-NXEZZACHSA-N 0 3 203.282 0.105 20 0 BCADHN COCCN(C[C@H](C)O)[C@@H]1CCO[C@H]1C ZINC000337208324 174297258 /nfs/dbraw/zinc/29/72/58/174297258.db2.gz QHYZDFBIUXHZNY-GARJFASQSA-N 0 3 217.309 0.493 20 0 BCADHN COCCN(C[C@@H](C)C(=O)OC)C1CC1 ZINC000042518700 174297452 /nfs/dbraw/zinc/29/74/52/174297452.db2.gz LIHZNHNSDCMQKJ-SECBINFHSA-N 0 3 215.293 0.906 20 0 BCADHN COCCN1CCC[C@@H]1CNCc1ncc[nH]1 ZINC000066593743 174306499 /nfs/dbraw/zinc/30/64/99/174306499.db2.gz ZBMXKALKADBGMN-LLVKDONJSA-N 0 3 238.335 0.610 20 0 BCADHN COCCN1CCC[C@@H](OCCO)C1 ZINC000336674889 174307084 /nfs/dbraw/zinc/30/70/84/174307084.db2.gz SPJBFEZPTGIWRS-SNVBAGLBSA-N 0 3 203.282 0.106 20 0 BCADHN COCCN1CCC[C@H]1CNC(=O)N1CCC1 ZINC000111864739 174308008 /nfs/dbraw/zinc/30/80/08/174308008.db2.gz KCEXAHRWALUMKL-NSHDSACASA-N 0 3 241.335 0.513 20 0 BCADHN COCCN1CC[C@@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC000357503302 174311338 /nfs/dbraw/zinc/31/13/38/174311338.db2.gz YPQFSCLUCTZADP-CMPLNLGQSA-N 0 3 240.347 0.869 20 0 BCADHN COCCN1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000355373787 174311757 /nfs/dbraw/zinc/31/17/57/174311757.db2.gz IPVLDLVLXXCYMM-NXEZZACHSA-N 0 3 215.293 0.764 20 0 BCADHN COCCN1CC[C@H](NC(=O)NC2CC2)C1 ZINC000331986736 174314118 /nfs/dbraw/zinc/31/41/18/174314118.db2.gz YGWLJWKVHUWHAD-JTQLQIEISA-N 0 3 227.308 0.169 20 0 BCADHN COCCN1CC[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC000357503303 174314316 /nfs/dbraw/zinc/31/43/16/174314316.db2.gz YPQFSCLUCTZADP-JQWIXIFHSA-N 0 3 240.347 0.869 20 0 BCADHN COCCN1CC[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC000337417902 174314812 /nfs/dbraw/zinc/31/48/12/174314812.db2.gz OKXDSRBNHFNKOV-QWRGUYRKSA-N 0 3 240.347 0.869 20 0 BCADHN COCCN1CCc2cc[nH]c(=O)c2C1 ZINC000276974409 174316584 /nfs/dbraw/zinc/31/65/84/174316584.db2.gz RVLKADPBFZIZRV-UHFFFAOYSA-N 0 3 208.261 0.792 20 0 BCADHN COCCN1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277755386 174318956 /nfs/dbraw/zinc/31/89/56/174318956.db2.gz LVKVKSZQTRKMRM-RYUDHWBXSA-N 0 3 239.319 0.074 20 0 BCADHN COCCNC(=O)C12CCCN1CCC2 ZINC000370607799 174319344 /nfs/dbraw/zinc/31/93/44/174319344.db2.gz ZBWLKOONEWBYCQ-UHFFFAOYSA-N 0 3 212.293 0.377 20 0 BCADHN COCCNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000123369491 174325226 /nfs/dbraw/zinc/32/52/26/174325226.db2.gz GLHWFMCKBCYPNX-NSHDSACASA-N 0 3 245.367 0.908 20 0 BCADHN COCCNCC(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000092509762 174330905 /nfs/dbraw/zinc/33/09/05/174330905.db2.gz XVPHIENPHBSZIL-MNOVXSKESA-N 0 3 242.319 0.002 20 0 BCADHN COCCNCC(=O)NC[C@H](O)CC(C)(C)C ZINC000226363090 174331192 /nfs/dbraw/zinc/33/11/92/174331192.db2.gz DBQZRMXWXIWWFW-SNVBAGLBSA-N 0 3 246.351 0.136 20 0 BCADHN COCCNCC(=O)N[C@H]1C[C@@H](OC)C1(C)C ZINC000226381175 174331677 /nfs/dbraw/zinc/33/16/77/174331677.db2.gz VIBTWQLGLKJINR-VHSXEESVSA-N 0 3 244.335 0.152 20 0 BCADHN COCCNCC(=O)NCc1ccc(C)cc1 ZINC000095082302 174331780 /nfs/dbraw/zinc/33/17/80/174331780.db2.gz OXHZQDWXIYZBGO-UHFFFAOYSA-N 0 3 236.315 0.847 20 0 BCADHN COCCNCCNC(=O)C=C1CCC1 ZINC000237269397 174332924 /nfs/dbraw/zinc/33/29/24/174332924.db2.gz DATFFFGAFNXMKC-UHFFFAOYSA-N 0 3 212.293 0.449 20 0 BCADHN COCCNCCNC(=O)c1cccc(C)n1 ZINC000212781869 174333287 /nfs/dbraw/zinc/33/32/87/174333287.db2.gz UMFSCXWVVGKLKY-UHFFFAOYSA-N 0 3 237.303 0.356 20 0 BCADHN COCCNCCNC(=O)c1c(C)noc1C ZINC000212780890 174333985 /nfs/dbraw/zinc/33/39/85/174333985.db2.gz QJWUVUSASHOEGR-UHFFFAOYSA-N 0 3 241.291 0.257 20 0 BCADHN COCCOCCC(=O)N[C@@H](C)CN(C)C ZINC000346225451 174349210 /nfs/dbraw/zinc/34/92/10/174349210.db2.gz OWQPXPJSKNSGBC-JTQLQIEISA-N 0 3 232.324 0.106 20 0 BCADHN COCCOCCCNCc1cnn(C)c1 ZINC000020192741 174350529 /nfs/dbraw/zinc/35/05/29/174350529.db2.gz XANOZDGJLKHLCL-UHFFFAOYSA-N 0 3 227.308 0.563 20 0 BCADHN COCCOCCN1CCC2(CCO2)CC1 ZINC000367253965 174353041 /nfs/dbraw/zinc/35/30/41/174353041.db2.gz UQXOPSMTWQBGPN-UHFFFAOYSA-N 0 3 229.320 0.904 20 0 BCADHN COCCOCCN1CCN(C2CCC2)CC1 ZINC000352448892 174353351 /nfs/dbraw/zinc/35/33/51/174353351.db2.gz JPRNXKPUXAJNMR-UHFFFAOYSA-N 0 3 242.363 0.820 20 0 BCADHN COCCOCCN1CCC[C@@]12CCOC2 ZINC000375327993 174353958 /nfs/dbraw/zinc/35/39/58/174353958.db2.gz SCQNJIQONNZNRQ-LBPRGKRZSA-N 0 3 229.320 0.904 20 0 BCADHN COCCOCCNCc1ccn(C)c1 ZINC000085591175 174358999 /nfs/dbraw/zinc/35/89/99/174358999.db2.gz DCWQNYQITZMXFI-UHFFFAOYSA-N 0 3 212.293 0.778 20 0 BCADHN COCCOC[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000353726050 174363246 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487676970 /nfs/dbraw/zinc/67/69/70/487676970.db2.gz IHRRSQMXYBXFQN-GZMMTYOYSA-N 0 3 204.273 0.790 20 0 BCADHN CO[C@@H](C)CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000188127205 487679330 /nfs/dbraw/zinc/67/93/30/487679330.db2.gz IFUFEYUXBCEQOQ-AXFHLTTASA-N 0 3 249.376 0.967 20 0 BCADHN CN[C@@H](C)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000054075387 487682400 /nfs/dbraw/zinc/68/24/00/487682400.db2.gz XIWHNEYMKZQNEX-UWVGGRQHSA-N 0 3 236.319 0.724 20 0 BCADHN CCC(C)(C)NC(=O)COC1(C)CNC1 ZINC000163071894 487683211 /nfs/dbraw/zinc/68/32/11/487683211.db2.gz OWTAEYPTHSTBFD-UHFFFAOYSA-N 0 3 214.309 0.670 20 0 BCADHN CCN(C[C@@H]1CCOC1)C(=O)[C@H](C)NC ZINC000054075589 487683376 /nfs/dbraw/zinc/68/33/76/487683376.db2.gz ICDIYFSTLQFQHO-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN CC(C)N(CC(N)=O)C(=O)C1(N)CCCCC1 ZINC000036134797 487684155 /nfs/dbraw/zinc/68/41/55/487684155.db2.gz JLYQMQFCYIFWDO-UHFFFAOYSA-N 0 3 241.335 0.370 20 0 BCADHN COCC(=O)NC1CCN(CCCCF)CC1 ZINC000671677392 487684563 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JCTLPPTUGJKZLU-ONGXEEELSA-N 0 3 224.308 0.813 20 0 BCADHN CCCCS(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000074864554 262923788 /nfs/dbraw/zinc/92/37/88/262923788.db2.gz WZHDPFLPXROCAD-SNVBAGLBSA-N 0 3 234.365 0.658 20 0 BCADHN CNC(=O)[C@@H]1CN(CC2CC(C)(C)C2)CCO1 ZINC000528441910 262948539 /nfs/dbraw/zinc/94/85/39/262948539.db2.gz LLLCJMMHFXVGDM-NSHDSACASA-N 0 3 240.347 0.869 20 0 BCADHN Cc1ccc(CN2C[C@@H](CO)[C@H](CO)C2)cn1 ZINC000528600090 262961831 /nfs/dbraw/zinc/96/18/31/262961831.db2.gz WYYGUQDCGQPPQZ-STQMWFEESA-N 0 3 236.315 0.423 20 0 BCADHN CCN1CCC(NC(=O)c2n[nH]cc2C)CC1 ZINC000669593881 487701665 /nfs/dbraw/zinc/70/16/65/487701665.db2.gz HFEKGWWVMROIBC-UHFFFAOYSA-N 0 3 236.319 0.932 20 0 BCADHN CN1CCC[C@@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000669403041 487705286 /nfs/dbraw/zinc/70/52/86/487705286.db2.gz GKNBQMKDHWVHMD-LLVKDONJSA-N 0 3 240.351 0.086 20 0 BCADHN CN1CCC[C@@H](NC(=O)N2CCCNCC2)C1 ZINC000669403041 487705292 /nfs/dbraw/zinc/70/52/92/487705292.db2.gz GKNBQMKDHWVHMD-LLVKDONJSA-N 0 3 240.351 0.086 20 0 BCADHN CC1(C)CNCCN1C(=O)Cc1ccncc1 ZINC000088139108 487705463 /nfs/dbraw/zinc/70/54/63/487705463.db2.gz KIVDRGXASKDLED-UHFFFAOYSA-N 0 3 233.315 0.835 20 0 BCADHN NC1(C(=O)N2CCOc3ccccc3C2)CC1 ZINC000088130741 487707031 /nfs/dbraw/zinc/70/70/31/487707031.db2.gz BAHUHTZYYAORGR-UHFFFAOYSA-N 0 3 232.283 0.899 20 0 BCADHN COC[C@@H](C)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000309246173 487708190 /nfs/dbraw/zinc/70/81/90/487708190.db2.gz ZFCHIJWULVCKLO-RKDXNWHRSA-N 0 3 235.349 0.577 20 0 BCADHN CC[C@@H]1C[C@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000226350375 487716541 /nfs/dbraw/zinc/71/65/41/487716541.db2.gz BVTDEDFSSVOHPK-OPRDCNLKSA-N 0 3 212.293 0.280 20 0 BCADHN C[C@@H]1COCCCN1CCN1CCOCC1 ZINC000676711807 487719500 /nfs/dbraw/zinc/71/95/00/487719500.db2.gz IWUHILJIWQBTMY-GFCCVEGCSA-N 0 3 228.336 0.429 20 0 BCADHN Cc1nc(N)nc(NC2CCN(C3CC3)CC2)n1 ZINC000631048522 487719780 /nfs/dbraw/zinc/71/97/80/487719780.db2.gz AKKHWSHPUSRZRI-UHFFFAOYSA-N 0 3 248.334 0.801 20 0 BCADHN C[C@@H](NC(=O)COC1(C)CNC1)c1ccccn1 ZINC000098061550 487720020 /nfs/dbraw/zinc/72/00/20/487720020.db2.gz ZTPOQBAXOZKOBS-SNVBAGLBSA-N 0 3 249.314 0.637 20 0 BCADHN CC1(OCC(=O)Nc2ccc(O)cc2)CNC1 ZINC000098061811 487720448 /nfs/dbraw/zinc/72/04/48/487720448.db2.gz YPTORYJICOVKAA-UHFFFAOYSA-N 0 3 236.271 0.709 20 0 BCADHN O=C(CNC1CC1)N1CC[C@@]2(CCOC2)C1 ZINC000154603074 487722791 /nfs/dbraw/zinc/72/27/91/487722791.db2.gz JBCQABCQEHLIIR-GFCCVEGCSA-N 0 3 224.304 0.377 20 0 BCADHN Cc1c[nH]nc1C(=O)NCCN(C)C1CC1 ZINC000669597684 487725077 /nfs/dbraw/zinc/72/50/77/487725077.db2.gz BFUHKEYCIKVLLK-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN CCN1CCN(CC[C@@H](C)O)C[C@H]1C ZINC000250204316 487728333 /nfs/dbraw/zinc/72/83/33/487728333.db2.gz BTMFCJBEVPRPEA-GHMZBOCLSA-N 0 3 200.326 0.783 20 0 BCADHN Cc1cnn(C)c1CN[C@H](CO)CCF ZINC000652018458 487730045 /nfs/dbraw/zinc/73/00/45/487730045.db2.gz UDUVBHHIFIHMRX-VIFPVBQESA-N 0 3 215.272 0.539 20 0 BCADHN CCC[C@@H](C)NC(=O)NCCN(CC)CCO ZINC000681112604 487730149 /nfs/dbraw/zinc/73/01/49/487730149.db2.gz SEYGKWYXYNHFAF-LLVKDONJSA-N 0 3 245.367 0.788 20 0 BCADHN CC(C)C[C@@H](N)C(=O)N1CCN[C@H](C)C1 ZINC000155000231 487731968 /nfs/dbraw/zinc/73/19/68/487731968.db2.gz RAPJGLQMLDMTEY-NXEZZACHSA-N 0 3 213.325 0.180 20 0 BCADHN CN(CC(=O)N1CCCNCC1)c1ccccc1 ZINC000042354436 487732594 /nfs/dbraw/zinc/73/25/94/487732594.db2.gz SSBAHFITHXARIO-UHFFFAOYSA-N 0 3 247.342 0.945 20 0 BCADHN C[C@H](O)CCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000683978793 487732851 /nfs/dbraw/zinc/73/28/51/487732851.db2.gz DRSOAAWYIYYWSM-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN C[C@@H](CN1CCCCC1)NCc1ncnn1C ZINC000088572104 487734554 /nfs/dbraw/zinc/73/45/54/487734554.db2.gz RCLONWXGKVDBNF-NSHDSACASA-N 0 3 237.351 0.779 20 0 BCADHN COC[C@@H](CCNC(=O)[C@H]1CCCCN1)OC ZINC000662848021 487734685 /nfs/dbraw/zinc/73/46/85/487734685.db2.gz RNXNVDZYHLXLOF-GHMZBOCLSA-N 0 3 244.335 0.296 20 0 BCADHN CCNC(=O)N1CC[C@H](NCc2cn[nH]c2)C1 ZINC000675485401 487740028 /nfs/dbraw/zinc/74/00/28/487740028.db2.gz MRXZJHXJZKAPBE-JTQLQIEISA-N 0 3 237.307 0.303 20 0 BCADHN CN(C)CCN(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000155273476 487740397 /nfs/dbraw/zinc/74/03/97/487740397.db2.gz ZKDMPKYRSSGMEV-MXWKQRLJSA-N 0 3 241.335 0.509 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000353202938 487751337 /nfs/dbraw/zinc/75/13/37/487751337.db2.gz AVPSBZOWIHPPAB-CMPLNLGQSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC1(CO)CC1 ZINC000675612194 487753075 /nfs/dbraw/zinc/75/30/75/487753075.db2.gz JPSRLIBUXNQPTJ-PHIMTYICSA-N 0 3 240.347 0.748 20 0 BCADHN CCn1ncc(CNC[C@H](C)N(C)C)n1 ZINC000838988206 585084706 /nfs/dbraw/zinc/08/47/06/585084706.db2.gz HKHOGTOXMLAQBG-VIFPVBQESA-N 0 3 211.313 0.338 20 0 BCADHN CCOCC(=O)NCCN1CCC[C@@H]1C ZINC000744348192 585149504 /nfs/dbraw/zinc/14/95/04/585149504.db2.gz GTORAGDNNFCEBH-JTQLQIEISA-N 0 3 214.309 0.623 20 0 BCADHN CS(=O)(=O)N[C@@H]1CCCN(CC2CC2)C1 ZINC000675639035 487757593 /nfs/dbraw/zinc/75/75/93/487757593.db2.gz FMUFRVFUMSIJNE-SNVBAGLBSA-N 0 3 232.349 0.410 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@H]1COC)N(C)C ZINC000665751670 487760693 /nfs/dbraw/zinc/76/06/93/487760693.db2.gz RTNSUUAPWDLTLL-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H]1CCCN(C[C@@H]2CN(C)C(=O)O2)[C@@H]1CO ZINC000496277740 533689499 /nfs/dbraw/zinc/68/94/99/533689499.db2.gz TVSLINIJZNQWFS-OUAUKWLOSA-N 0 3 242.319 0.530 20 0 BCADHN CCn1nccc1C(=O)NCCN(C)C ZINC000681259404 487761638 /nfs/dbraw/zinc/76/16/38/487761638.db2.gz SKHROZLYJSCLBO-UHFFFAOYSA-N 0 3 210.281 0.194 20 0 BCADHN Cc1cc(CN2CCC[C@H](CC(N)=O)C2)ncn1 ZINC000292564974 487763212 /nfs/dbraw/zinc/76/32/12/487763212.db2.gz SASMGVDHKNAFJQ-LLVKDONJSA-N 0 3 248.330 0.872 20 0 BCADHN CC(C)[C@@H](O)C(C)(C)CNC(=O)[C@H](C)N ZINC000157988668 487764583 /nfs/dbraw/zinc/76/45/83/487764583.db2.gz RXOHEWLAZYUGAB-DTWKUNHWSA-N 0 3 216.325 0.493 20 0 BCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C1(O)CCC1 ZINC000681268227 487764760 /nfs/dbraw/zinc/76/47/60/487764760.db2.gz MOGWZJCCSOZAEZ-LLVKDONJSA-N 0 3 238.331 0.502 20 0 BCADHN COCCCO[N-]C(=O)CCCC[NH+](C)C ZINC000805041459 585257840 /nfs/dbraw/zinc/25/78/40/585257840.db2.gz CDVMGGCXCAIITC-UHFFFAOYSA-N 0 3 232.324 0.803 20 0 BCADHN CN1CCN(C(=O)[C@@H]2CC=CCC2)[C@@H](CN)C1 ZINC000226612065 487767223 /nfs/dbraw/zinc/76/72/23/487767223.db2.gz YNUWPRZIOVLLFY-NEPJUHHUSA-N 0 3 237.347 0.444 20 0 BCADHN C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1C)N(C)C ZINC000666244215 487768725 /nfs/dbraw/zinc/76/87/25/487768725.db2.gz TXRMDNPWIQUTPX-ZJUUUORDSA-N 0 3 241.335 0.064 20 0 BCADHN CCO[C@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC000675730777 487771707 /nfs/dbraw/zinc/77/17/07/487771707.db2.gz LFXYASYGTHXLQF-QWRGUYRKSA-N 0 3 226.320 0.766 20 0 BCADHN CO[C@@H](C)[C@@H](C)NCC(=O)NCc1ccco1 ZINC000675738510 487773744 /nfs/dbraw/zinc/77/37/44/487773744.db2.gz JJUJYKORWIJUMF-ZJUUUORDSA-N 0 3 240.303 0.909 20 0 BCADHN CC(=O)N1CCCN([C@H]2CCCOC2)CC1 ZINC000674286233 487776332 /nfs/dbraw/zinc/77/63/32/487776332.db2.gz GKAKCDNPZROFPJ-LBPRGKRZSA-N 0 3 226.320 0.720 20 0 BCADHN C[C@H]1CN(CCN2C[C@@H](C)O[C@H](C)C2)C[C@@H]1O ZINC000314594609 487779078 /nfs/dbraw/zinc/77/90/78/487779078.db2.gz NGTNXIJQCUBOQJ-LOWDOPEQSA-N 0 3 242.363 0.408 20 0 BCADHN CCCC[C@H](COC)N[C@H]1CCNC1=O ZINC000309212528 487780641 /nfs/dbraw/zinc/78/06/41/487780641.db2.gz SYZGABZGGNXEFQ-ZJUUUORDSA-N 0 3 214.309 0.670 20 0 BCADHN CCCC(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000684174304 487782729 /nfs/dbraw/zinc/78/27/29/487782729.db2.gz HBOSFYHOCXODDU-GFCCVEGCSA-N 0 3 228.336 0.702 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CC2(F)F)C1 ZINC000650322668 487786609 /nfs/dbraw/zinc/78/66/09/487786609.db2.gz JHPFZAJYYXOEDK-YIZRAAEISA-N 0 3 230.258 0.804 20 0 BCADHN Cc1ccc(NCCOCCN(C)C)nn1 ZINC000234270192 487791195 /nfs/dbraw/zinc/79/11/95/487791195.db2.gz SBCGZFYIKPXBJN-UHFFFAOYSA-N 0 3 224.308 0.775 20 0 BCADHN CO[C@@H](C)CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000223763602 487793066 /nfs/dbraw/zinc/79/30/66/487793066.db2.gz YUTOLYBTKAAPJZ-LPEHRKFASA-N 0 3 214.309 0.526 20 0 BCADHN CCOC1CCN([C@H]2CCCNC2=O)CC1 ZINC000675952698 487796301 /nfs/dbraw/zinc/79/63/01/487796301.db2.gz HSFWEFDTLPVIRU-NSHDSACASA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@@H]1CN(C[C@H]2CNCCO2)CCO1 ZINC000251899327 487805921 /nfs/dbraw/zinc/80/59/21/487805921.db2.gz WRQCSOHUMULEQT-GHMZBOCLSA-N 0 3 214.309 0.086 20 0 BCADHN C[C@@H]1CCCN(CCNC(=O)c2ncc[nH]2)C1 ZINC000666428294 487806978 /nfs/dbraw/zinc/80/69/78/487806978.db2.gz MTQDXIRGKXYYKI-SNVBAGLBSA-N 0 3 236.319 0.871 20 0 BCADHN CCNC(=O)CN(C)CCN1CCC(C)CC1 ZINC000676086052 487812575 /nfs/dbraw/zinc/81/25/75/487812575.db2.gz UHZRHZREOGJHAL-UHFFFAOYSA-N 0 3 241.379 0.786 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)C(C)(C)CO ZINC000681550663 487813297 /nfs/dbraw/zinc/81/32/97/487813297.db2.gz OWMOLAWTTPDMKB-JTQLQIEISA-N 0 3 228.336 0.605 20 0 BCADHN CN1CCC(C(=O)N2CC(C)(F)C2)CC1 ZINC000684323580 487819458 /nfs/dbraw/zinc/81/94/58/487819458.db2.gz GHRWXJMAXRKRGN-UHFFFAOYSA-N 0 3 214.284 0.899 20 0 BCADHN c1cnn(CCN2CC[C@H](n3cncn3)C2)c1 ZINC000681601763 487821853 /nfs/dbraw/zinc/82/18/53/487821853.db2.gz RANYBYIJNCEMLO-NSHDSACASA-N 0 3 232.291 0.422 20 0 BCADHN CN[C@@H](C)C(=O)NCc1cn2cc(C)ccc2n1 ZINC000569019777 322943054 /nfs/dbraw/zinc/94/30/54/322943054.db2.gz OIBARGKTFIUAHW-JTQLQIEISA-N 0 3 246.314 0.867 20 0 BCADHN NS(=O)(=O)c1ccc(CNC2CC2)c(F)c1 ZINC000647166543 487822476 /nfs/dbraw/zinc/82/24/76/487822476.db2.gz VOMLBNKXUSJOSV-UHFFFAOYSA-N 0 3 244.291 0.725 20 0 BCADHN Cc1cnn(CCN2CC[C@H](n3cncn3)C2)c1 ZINC000681604093 487822699 /nfs/dbraw/zinc/82/26/99/487822699.db2.gz LDWYEOVHIBHOCQ-LBPRGKRZSA-N 0 3 246.318 0.730 20 0 BCADHN COC[C@@H]1CCCN1CCN1CCNC1=O ZINC000676227259 487823399 /nfs/dbraw/zinc/82/33/99/487823399.db2.gz ULZIZMHEYMEKIJ-JTQLQIEISA-N 0 3 227.308 0.122 20 0 BCADHN CCN(CC(=O)NC)C[C@H](C)COC ZINC000783526980 585836021 /nfs/dbraw/zinc/83/60/21/585836021.db2.gz RNPPKSVZZVJABY-VIFPVBQESA-N 0 3 202.298 0.337 20 0 BCADHN c1n[nH]nc1CCN1CCN(C2CCC2)CC1 ZINC000647963835 487826322 /nfs/dbraw/zinc/82/63/22/487826322.db2.gz DDWSCCVFNHBCSM-UHFFFAOYSA-N 0 3 235.335 0.517 20 0 BCADHN CN1CCCC[C@H]1CCC(=O)OCCO ZINC000803856488 586377730 /nfs/dbraw/zinc/37/77/30/586377730.db2.gz RKMZMYRSXIUTFH-JTQLQIEISA-N 0 3 215.293 0.786 20 0 BCADHN Cc1c[nH]nc1C(=O)NCC1=CCN(C)CC1 ZINC000669614447 487829655 /nfs/dbraw/zinc/82/96/55/487829655.db2.gz SBWZZNSNAZVXTG-UHFFFAOYSA-N 0 3 234.303 0.710 20 0 BCADHN CCC[C@@](C)(CO)NC(=O)/C=C\CN(C)C ZINC000492640791 527886129 /nfs/dbraw/zinc/88/61/29/527886129.db2.gz NCYXGBSPQAJUMQ-DGMVEKRQSA-N 0 3 228.336 0.772 20 0 BCADHN C[C@@H](CCO)N(C)C(=O)CN1CCCC1 ZINC000824247231 587262969 /nfs/dbraw/zinc/26/29/69/587262969.db2.gz RJQWFBTVMKOVKP-JTQLQIEISA-N 0 3 214.309 0.312 20 0 BCADHN CCOC(=O)[C@](C)(O)CN(C)[C@H]1C[C@@H](OC)C1 ZINC000510101537 528099770 /nfs/dbraw/zinc/09/97/70/528099770.db2.gz DUFZRDJGNAVTHM-JFGNBEQYSA-N 0 3 245.319 0.410 20 0 BCADHN COC[C@@H]1CCCCN1CC1OCCO1 ZINC000832616381 587669838 /nfs/dbraw/zinc/66/98/38/587669838.db2.gz ZXGWWLRLEJJNNA-JTQLQIEISA-N 0 3 215.293 0.860 20 0 BCADHN C[C@H]1[C@@H](C)N(CCS(N)(=O)=O)C[C@H]1C ZINC000842167640 588005525 /nfs/dbraw/zinc/00/55/25/588005525.db2.gz WTPYXAJQQQKAPQ-IWSPIJDZSA-N 0 3 220.338 0.251 20 0 BCADHN C[C@@H](CCO)N(C)CCN1CCOC1=O ZINC000844447431 588194397 /nfs/dbraw/zinc/19/43/97/588194397.db2.gz OHENLSZPKREJQG-VIFPVBQESA-N 0 3 216.281 0.141 20 0 BCADHN CC[C@H](C(=O)N[C@H](CO)CCF)N(C)C ZINC000652914307 487840408 /nfs/dbraw/zinc/84/04/08/487840408.db2.gz SIVUYYODCMVUFC-DTWKUNHWSA-N 0 3 220.288 0.163 20 0 BCADHN CC(C)N(C)CC(=O)N[C@H]1CCC[C@@]1(C)CO ZINC000305120534 528813880 /nfs/dbraw/zinc/81/38/80/528813880.db2.gz MJHXFODLDANYCB-AAEUAGOBSA-N 0 3 242.363 0.994 20 0 BCADHN CONC(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000852465582 588683043 /nfs/dbraw/zinc/68/30/43/588683043.db2.gz HYQJEPPCHIBQDA-MRVPVSSYSA-N 0 3 215.297 0.720 20 0 BCADHN CN(C)CCNC(=O)c1ccc(CN)o1 ZINC000011628009 487842778 /nfs/dbraw/zinc/84/27/78/487842778.db2.gz MZODMIKDPVKJHQ-UHFFFAOYSA-N 0 3 211.265 0.030 20 0 BCADHN CCN1CCN(CCN2CCNC2=O)C[C@@H]1C ZINC000676379829 487843841 /nfs/dbraw/zinc/84/38/41/487843841.db2.gz RSHUWKBKROSDRN-NSHDSACASA-N 0 3 240.351 0.038 20 0 BCADHN COC1(CC(=O)NC[C@H]2CNCCO2)CCC1 ZINC000234602288 487843669 /nfs/dbraw/zinc/84/36/69/487843669.db2.gz GPSIAJPHVNEQNU-SNVBAGLBSA-N 0 3 242.319 0.050 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)[C@H](C)OC ZINC000870552598 589674714 /nfs/dbraw/zinc/67/47/14/589674714.db2.gz WNLLHXBIAAYHGM-IUCAKERBSA-N 0 3 203.282 0.905 20 0 BCADHN CC1(C)CNCCN1C(=O)c1cnccn1 ZINC000062610103 487845540 /nfs/dbraw/zinc/84/55/40/487845540.db2.gz HIDWFNHSFBFCDH-UHFFFAOYSA-N 0 3 220.276 0.301 20 0 BCADHN C[C@H]1CC[C@H](C)N1CC(=O)NCC(C)(C)CO ZINC000676402923 487847398 /nfs/dbraw/zinc/84/73/98/487847398.db2.gz ZKMSZVDOFKBSDF-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN CSC[C@@H](O)CN1CCOCC[C@@H]1C ZINC000372294694 487847873 /nfs/dbraw/zinc/84/78/73/487847873.db2.gz LBUGYBXGKULQOX-UWVGGRQHSA-N 0 3 219.350 0.821 20 0 BCADHN O=C1CC[C@H](CN2CC[C@H](CF)C2)O1 ZINC000880299107 590993665 /nfs/dbraw/zinc/99/36/65/590993665.db2.gz CTZTYOJEGGEKOG-RKDXNWHRSA-N 0 3 201.241 0.983 20 0 BCADHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCN(C)C1 ZINC000130248784 591451014 /nfs/dbraw/zinc/45/10/14/591451014.db2.gz HYRMJHDETCSCIE-UWVGGRQHSA-N 0 3 234.365 0.103 20 0 BCADHN CN(CCCF)CCN1C(=O)CCC1=O ZINC000887137325 592450382 /nfs/dbraw/zinc/45/03/82/592450382.db2.gz CSGCEIUWRPAPRR-UHFFFAOYSA-N 0 3 216.256 0.427 20 0 BCADHN CC[C@@H](C(N)=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000487999374 529299035 /nfs/dbraw/zinc/29/90/35/529299035.db2.gz ACJXPTRCCPHJFT-WDEREUQCSA-N 0 3 227.352 0.522 20 0 BCADHN C[C@@H](O)C[C@@H](C)CNCc1cn(C)cn1 ZINC000309052305 632629217 /nfs/dbraw/zinc/62/92/17/632629217.db2.gz ROARAFMRTKWUCI-NXEZZACHSA-N 0 3 211.309 0.917 20 0 BCADHN CCCCN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594873979 487852601 /nfs/dbraw/zinc/85/26/01/487852601.db2.gz YIERJSQPLOCCGB-UWVGGRQHSA-N 0 3 211.309 0.030 20 0 BCADHN Cc1csc(CCNC(=O)C(C)(C)N)n1 ZINC000063134925 487856842 /nfs/dbraw/zinc/85/68/42/487856842.db2.gz DSLGBLGPEWNRSC-UHFFFAOYSA-N 0 3 227.333 0.848 20 0 BCADHN C[C@@H](CN1CCN(CC(N)=O)CC1)C(C)(C)C ZINC000670261940 487857393 /nfs/dbraw/zinc/85/73/93/487857393.db2.gz OXWYMRZEIGHFFV-NSHDSACASA-N 0 3 241.379 0.772 20 0 BCADHN CC[C@@H](CO)N1C[C@H](CO)OC(C)(C)C1 ZINC000930753615 639897732 /nfs/dbraw/zinc/89/77/32/639897732.db2.gz NVFDBEJFVZLYBF-VHSXEESVSA-N 0 3 217.309 0.229 20 0 BCADHN CC[C@](C)(NCCc1cnn(C)c1)C(N)=O ZINC000303336031 487859827 /nfs/dbraw/zinc/85/98/27/487859827.db2.gz JVPMLDGYFZRVTI-NSHDSACASA-N 0 3 224.308 0.206 20 0 BCADHN COC(=O)[C@@H](NC(=O)CNC(C)C)C(C)(C)C ZINC000595248852 487861089 /nfs/dbraw/zinc/86/10/89/487861089.db2.gz IXPQHSALCPQDMY-SNVBAGLBSA-N 0 3 244.335 0.688 20 0 BCADHN CC(C)OC[C@@H](O)CNCc1ccn(C)c1 ZINC000566112819 322957830 /nfs/dbraw/zinc/95/78/30/322957830.db2.gz SZHIVEKBXSFWAA-LBPRGKRZSA-N 0 3 226.320 0.901 20 0 BCADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC1CC(C)C1 ZINC000668506968 487863188 /nfs/dbraw/zinc/86/31/88/487863188.db2.gz LZOSJYKLJAHJHM-QLEHZGMVSA-N 0 3 233.333 0.187 20 0 BCADHN COC[C@@H](C)[C@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000462463234 487863531 /nfs/dbraw/zinc/86/35/31/487863531.db2.gz GNLIBFBCCKRYQY-VWYCJHECSA-N 0 3 230.352 0.971 20 0 BCADHN CCC[C@@](C)(N)C(=O)N[C@@H](C)CC(=O)OC ZINC000303391659 487864312 /nfs/dbraw/zinc/86/43/12/487864312.db2.gz RHRZBFIMYJRRKU-GZMMTYOYSA-N 0 3 230.308 0.572 20 0 BCADHN COCc1nnc(C[NH2+]C[C@@H]2C[C@H]2C)[n-]1 ZINC000668510167 487866658 /nfs/dbraw/zinc/86/66/58/487866658.db2.gz OFWAKVSXRMTDRR-SFYZADRCSA-N 0 3 210.281 0.697 20 0 BCADHN CCN1CC[C@H](N[C@H](C)[C@@H]2CCCO2)C1=O ZINC000309933324 487867691 /nfs/dbraw/zinc/86/76/91/487867691.db2.gz YWEIKMLMBOTONM-VWYCJHECSA-N 0 3 226.320 0.764 20 0 BCADHN CCN1CC[C@H](N[C@@H](C)[C@H]2CCCO2)C1=O ZINC000309933322 487867720 /nfs/dbraw/zinc/86/77/20/487867720.db2.gz YWEIKMLMBOTONM-GARJFASQSA-N 0 3 226.320 0.764 20 0 BCADHN COCc1nnc(C[NH2+]C[C@H](C)COC)[n-]1 ZINC000668510561 487869696 /nfs/dbraw/zinc/86/96/96/487869696.db2.gz VJSABTURFVIMDT-QMMMGPOBSA-N 0 3 228.296 0.323 20 0 BCADHN CC(C)N(C)CC(=O)N1CCCOC[C@H]1C ZINC000676537576 487869936 /nfs/dbraw/zinc/86/99/36/487869936.db2.gz WDVKHYBHZLJYJG-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN CCCN(C)CC(=O)N1CCCOC[C@H]1C ZINC000676537640 487870067 /nfs/dbraw/zinc/87/00/67/487870067.db2.gz XLVRPRMOHXKASL-LLVKDONJSA-N 0 3 228.336 0.966 20 0 BCADHN O[C@@H]1C[C@H](O)CN(CCCCCF)C1 ZINC000671241422 487873499 /nfs/dbraw/zinc/87/34/99/487873499.db2.gz OCNPKIBBJIQUKL-AOOOYVTPSA-N 0 3 205.273 0.554 20 0 BCADHN C[C@H](c1ccncc1)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000676582502 487876778 /nfs/dbraw/zinc/87/67/78/487876778.db2.gz OYTFSAYNMMSGLJ-WXHSDQCUSA-N 0 3 236.315 0.818 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000566190557 322963333 /nfs/dbraw/zinc/96/33/33/322963333.db2.gz HFTOSTTZBQVOIT-LDYMZIIASA-N 0 3 248.330 0.524 20 0 BCADHN COc1cnccc1[C@H](C)NC(=O)[C@@H](C)N ZINC000566196151 322963944 /nfs/dbraw/zinc/96/39/44/322963944.db2.gz FHWZIWPMKHCPGP-SFYZADRCSA-N 0 3 223.276 0.615 20 0 BCADHN COC[C@@](C)(CO)NC[C@H]1CCCO1 ZINC000053199878 487884341 /nfs/dbraw/zinc/88/43/41/487884341.db2.gz RGDBPVMPZPZFNV-NXEZZACHSA-N 0 3 203.282 0.152 20 0 BCADHN COCC[C@H](C)N1CCN(CCO)C(C)(C)C1 ZINC000682034685 487886876 /nfs/dbraw/zinc/88/68/76/487886876.db2.gz KVJSZZXENQYWGM-LBPRGKRZSA-N 0 3 244.379 0.800 20 0 BCADHN COC[C@@H](CO)NC[C@H](O)CC1CCCC1 ZINC000229186976 487886904 /nfs/dbraw/zinc/88/69/04/487886904.db2.gz ZMTBPZRNULPWIE-VXGBXAGGSA-N 0 3 231.336 0.525 20 0 BCADHN CC1(C)C[C@H](N2CCN3CCOC[C@@H]3C2)CO1 ZINC000660273460 487887765 /nfs/dbraw/zinc/88/77/65/487887765.db2.gz HIBNGRJNJUMXBP-RYUDHWBXSA-N 0 3 240.347 0.570 20 0 BCADHN COCCOC[C@H](O)CNCc1ccc(C)o1 ZINC000234900103 487889323 /nfs/dbraw/zinc/88/93/23/487889323.db2.gz KDRHHVMMHMSYHL-LLVKDONJSA-N 0 3 243.303 0.702 20 0 BCADHN CCn1cc([C@@H](C)N[C@H]2C[C@@H](C(N)=O)C2)cn1 ZINC000652256850 487894151 /nfs/dbraw/zinc/89/41/51/487894151.db2.gz GOWYAWHJLPFTBJ-KKZNHRDASA-N 0 3 236.319 0.818 20 0 BCADHN COC[C@H](C)CN1CC[C@](F)(CO)C1 ZINC000670273772 487897757 /nfs/dbraw/zinc/89/77/57/487897757.db2.gz WZRPUXUDHSBKCK-NXEZZACHSA-N 0 3 205.273 0.675 20 0 BCADHN CCc1nocc1C(=O)NC[C@H]1CCN(C)C1 ZINC000666910940 487903221 /nfs/dbraw/zinc/90/32/21/487903221.db2.gz KHTDVSXBRBSOAT-SECBINFHSA-N 0 3 237.303 0.919 20 0 BCADHN COC[C@H]1CCCN1CCn1cncn1 ZINC000674499652 487903749 /nfs/dbraw/zinc/90/37/49/487903749.db2.gz DPNPXZBPJXMETN-SNVBAGLBSA-N 0 3 210.281 0.389 20 0 BCADHN CN(Cc1cnc2cnccn12)CC1CN(C)C1 ZINC000668539735 487905254 /nfs/dbraw/zinc/90/52/54/487905254.db2.gz KGIYZECBXKTMNF-UHFFFAOYSA-N 0 3 245.330 0.723 20 0 BCADHN CCCN1CC[C@H](NC(=O)N(C)C[C@@H](C)O)C1 ZINC000666922635 487905729 /nfs/dbraw/zinc/90/57/29/487905729.db2.gz VAOKKDNIFMJWGD-MNOVXSKESA-N 0 3 243.351 0.493 20 0 BCADHN CN(Cc1ccc(CO)o1)CC1CN(C)C1 ZINC000668540173 487906558 /nfs/dbraw/zinc/90/65/58/487906558.db2.gz YPSKONFXHYZEMB-UHFFFAOYSA-N 0 3 224.304 0.765 20 0 BCADHN CCCN1CC[C@H](NC(=O)NCC(C)(C)O)C1 ZINC000666926764 487907242 /nfs/dbraw/zinc/90/72/42/487907242.db2.gz XLCBBGLMXPWIOO-JTQLQIEISA-N 0 3 243.351 0.541 20 0 BCADHN Cc1cncc(CCN2C[C@@H]3COC[C@@H]3C2)n1 ZINC000634779187 487907662 /nfs/dbraw/zinc/90/76/62/487907662.db2.gz GQTSRJIPMDLYGQ-TXEJJXNPSA-N 0 3 233.315 0.906 20 0 BCADHN CCC[C@@H](O)CC(=O)NC1CCN(C)CC1 ZINC000676735466 487908046 /nfs/dbraw/zinc/90/80/46/487908046.db2.gz AKAUSSYBZCGDBG-LLVKDONJSA-N 0 3 228.336 0.748 20 0 BCADHN CN(CCN1CCCCC1)[C@@H]1CCCNC1=O ZINC000682092987 487908395 /nfs/dbraw/zinc/90/83/95/487908395.db2.gz HVHLFUHICCFXHO-GFCCVEGCSA-N 0 3 239.363 0.683 20 0 BCADHN CCC[C@@](C)(N)C(=O)NCC1(CO)CC1 ZINC000133112204 487909135 /nfs/dbraw/zinc/90/91/35/487909135.db2.gz PCOGZDUITBOJBG-SNVBAGLBSA-N 0 3 214.309 0.393 20 0 BCADHN O=C([C@@H]1CN2CCN1CCC2)N1CC=CCC1 ZINC000679327425 487909127 /nfs/dbraw/zinc/90/91/27/487909127.db2.gz MOXQNKPSVIRPBP-LBPRGKRZSA-N 0 3 235.331 0.165 20 0 BCADHN CC1(C)CN(C[C@@H]2CNCCO2)CCCO1 ZINC000309371232 487912426 /nfs/dbraw/zinc/91/24/26/487912426.db2.gz 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C[C@H](NC(=O)[C@@H](N)C(C)(C)C)c1cn[nH]c1 ZINC000229704515 487937439 /nfs/dbraw/zinc/93/74/39/487937439.db2.gz JNQOEZRJCIEFLL-IONNQARKSA-N 0 3 224.308 0.960 20 0 BCADHN Cc1c(CN2CC[C@H](CC(N)=O)C2)cnn1C ZINC000676871020 487938418 /nfs/dbraw/zinc/93/84/18/487938418.db2.gz IWSJSOPTHATWGO-SNVBAGLBSA-N 0 3 236.319 0.426 20 0 BCADHN CCC[C@@H](O)CNC(=O)[C@H](N)CC(C)C ZINC000158152636 487941791 /nfs/dbraw/zinc/94/17/91/487941791.db2.gz NZJBVOGCYDILKU-NXEZZACHSA-N 0 3 216.325 0.637 20 0 BCADHN CC1(C)CNCCN1C(=O)[C@@H]1CCCCO1 ZINC000083842488 487941890 /nfs/dbraw/zinc/94/18/90/487941890.db2.gz HSFXBXPJCPYDQL-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN Cc1cc(C(=O)N2CCNCC2(C)C)[nH]n1 ZINC000083842482 487942565 /nfs/dbraw/zinc/94/25/65/487942565.db2.gz XASJEYMNDZQPDJ-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN Cc1cc(C(=O)N2CCNCC2(C)C)n[nH]1 ZINC000083842482 487942572 /nfs/dbraw/zinc/94/25/72/487942572.db2.gz XASJEYMNDZQPDJ-UHFFFAOYSA-N 0 3 222.292 0.542 20 0 BCADHN CCOCC(=O)N1CCNCC1(C)C ZINC000083842537 487942383 /nfs/dbraw/zinc/94/23/83/487942383.db2.gz MWUYXZCAZPRXQA-UHFFFAOYSA-N 0 3 200.282 0.233 20 0 BCADHN C[C@H](c1cnccn1)N1CC[C@@H](CC(N)=O)C1 ZINC000676891821 487942421 /nfs/dbraw/zinc/94/24/21/487942421.db2.gz JDKQNCGQBOTLFZ-ZJUUUORDSA-N 0 3 234.303 0.735 20 0 BCADHN COc1cncc(CN2CC[C@@H](CC(N)=O)C2)c1 ZINC000676892406 487942584 /nfs/dbraw/zinc/94/25/84/487942584.db2.gz YVGOQFKNMLNFMH-JTQLQIEISA-N 0 3 249.314 0.788 20 0 BCADHN Cc1cc(CN2CC[C@H](CC(N)=O)C2)on1 ZINC000676898393 487943824 /nfs/dbraw/zinc/94/38/24/487943824.db2.gz NMYRYVTWFWSLDK-SECBINFHSA-N 0 3 223.276 0.680 20 0 BCADHN NC(=O)C[C@@H]1CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000676907796 487945835 /nfs/dbraw/zinc/94/58/35/487945835.db2.gz DFHAGHDIWDIOBP-NKWVEPMBSA-N 0 3 240.225 0.107 20 0 BCADHN OC[C@@H](O)CNCc1nccc2ccccc21 ZINC000682408140 487951846 /nfs/dbraw/zinc/95/18/46/487951846.db2.gz TYTNWHKXMMPGID-NSHDSACASA-N 0 3 232.283 0.678 20 0 BCADHN CN[C@H](CC(C)(C)C)C(=O)Nc1nc[nH]n1 ZINC000569599796 322972064 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0.744 20 0 BCADHN Cc1nn(C)cc1CNCCC(=O)NC(C)C ZINC000135469269 323029246 /nfs/dbraw/zinc/02/92/46/323029246.db2.gz HBFMEZGCMUQMFD-UHFFFAOYSA-N 0 3 238.335 0.733 20 0 BCADHN Cn1ccc(CC(=O)NCC2=CCN(C)CC2)n1 ZINC000562890444 323032989 /nfs/dbraw/zinc/03/29/89/323032989.db2.gz XOCIHJPCZHBVTH-UHFFFAOYSA-N 0 3 248.330 0.341 20 0 BCADHN Cc1nccn1CCCN1CC(C)(C(N)=O)C1 ZINC000569689572 323036971 /nfs/dbraw/zinc/03/69/71/323036971.db2.gz MGJPIBXBXPXHSW-UHFFFAOYSA-N 0 3 236.319 0.389 20 0 BCADHN CSCCCNC[C@@H](C)S(C)(=O)=O ZINC000569687278 323037027 /nfs/dbraw/zinc/03/70/27/323037027.db2.gz QPVCJZREJAEHPA-MRVPVSSYSA-N 0 3 225.379 0.762 20 0 BCADHN CC[C@@H](N)C(=O)NCc1cccc(CO)c1 ZINC000225285385 323037522 /nfs/dbraw/zinc/03/75/22/323037522.db2.gz CZLPJVRFUBKCAP-LLVKDONJSA-N 0 3 222.288 0.532 20 0 BCADHN Cn1ccnc1[C@@H]1CNCCN1Cc1ccno1 ZINC000569847186 323042367 /nfs/dbraw/zinc/04/23/67/323042367.db2.gz GRBOXSQXTODZSW-NSHDSACASA-N 0 3 247.302 0.555 20 0 BCADHN CC(=O)c1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1[O-] ZINC000569842986 323042602 /nfs/dbraw/zinc/04/26/02/323042602.db2.gz GNMOVCGRCMKJQQ-JTQLQIEISA-N 0 3 248.282 0.768 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCc2cccn2C)C1 ZINC000569863628 323042939 /nfs/dbraw/zinc/04/29/39/323042939.db2.gz GPOAGVYVPAZRRQ-LLVKDONJSA-N 0 3 235.331 0.983 20 0 BCADHN OCCN1CCCC[C@H]1CNCC1(F)CC1 ZINC000569917277 323044216 /nfs/dbraw/zinc/04/42/16/323044216.db2.gz CIBFVZJUZYAUFK-NSHDSACASA-N 0 3 230.327 0.925 20 0 BCADHN COCCNCC(=O)N[C@@H]1CCC[C@H](F)C1 ZINC000572604784 323046379 /nfs/dbraw/zinc/04/63/79/323046379.db2.gz YMAPVPKBHZQIQE-VHSXEESVSA-N 0 3 232.299 0.619 20 0 BCADHN COC[C@H](C)CN(C)[C@H]1CCN(C)C1=O ZINC000570205052 323052834 /nfs/dbraw/zinc/05/28/34/323052834.db2.gz XANQUPWNUXNNTO-ZJUUUORDSA-N 0 3 214.309 0.431 20 0 BCADHN CCN(CC(C)C)[C@H](C)C(=O)NC(N)=O ZINC000153774079 323053550 /nfs/dbraw/zinc/05/35/50/323053550.db2.gz CNWBZIWYRFOHNH-MRVPVSSYSA-N 0 3 215.297 0.548 20 0 BCADHN CN(C(=O)[C@@H]1CCCCCN1)c1ccn(C)n1 ZINC000570280600 323054946 /nfs/dbraw/zinc/05/49/46/323054946.db2.gz FGBNREXMDLMJCE-JTQLQIEISA-N 0 3 236.319 0.915 20 0 BCADHN Cn1nccc1NC(=O)NC1CCN(C)CC1 ZINC000154898753 323059187 /nfs/dbraw/zinc/05/91/87/323059187.db2.gz QDLSMYSWKCEXTI-UHFFFAOYSA-N 0 3 237.307 0.636 20 0 BCADHN CC[C@@H](N)C(=O)NC[C@@H](CO)Cc1ccco1 ZINC000570512133 323061798 /nfs/dbraw/zinc/06/17/98/323061798.db2.gz OSBSEALCRIJEHW-GXSJLCMTSA-N 0 3 240.303 0.284 20 0 BCADHN CN(CCC1(O)CCC1)[C@@H]1CCC(=O)N(C)C1 ZINC000570525451 323062010 /nfs/dbraw/zinc/06/20/10/323062010.db2.gz MSDXGPIUEZOAKX-LLVKDONJSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H]1CC[C@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC000570549286 323062696 /nfs/dbraw/zinc/06/26/96/323062696.db2.gz OFEKZNQTEHKSDK-VHSXEESVSA-N 0 3 239.319 0.169 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)N[C@@H]1CCC[C@@H]1F ZINC000570618784 323064477 /nfs/dbraw/zinc/06/44/77/323064477.db2.gz WIMZSLIDTFTVBM-LPEHRKFASA-N 0 3 245.298 0.165 20 0 BCADHN COC(C)(C)CCN(C)CCNC(C)=O ZINC000570679821 323066602 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223.338 0.434 20 0 BCADHN CN(C)C(=O)CNC[C@@H](O)Cc1ccccc1 ZINC000514788854 324110766 /nfs/dbraw/zinc/11/07/66/324110766.db2.gz OIMUJKWEUIXQSA-LBPRGKRZSA-N 0 3 236.315 0.268 20 0 BCADHN CN(C(=O)Cn1ccnc1)C1CCN(C)CC1 ZINC000514766175 324112123 /nfs/dbraw/zinc/11/21/23/324112123.db2.gz RJOZFXLYJPMUPC-UHFFFAOYSA-N 0 3 236.319 0.436 20 0 BCADHN CC(C)NC(=O)NCCN(C)[C@@H](C)CO ZINC000572479066 324120800 /nfs/dbraw/zinc/12/08/00/324120800.db2.gz BMOPVEAMRCTDAH-VIFPVBQESA-N 0 3 217.313 0.007 20 0 BCADHN CC1(C(N)=O)CN(C[C@H]2CCCC[C@@H]2O)C1 ZINC000572487884 324127776 /nfs/dbraw/zinc/12/77/76/324127776.db2.gz SWYMCPWAXRJLTN-ZJUUUORDSA-N 0 3 226.320 0.345 20 0 BCADHN O[C@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1O ZINC000459513697 324148072 /nfs/dbraw/zinc/14/80/72/324148072.db2.gz SPFLJFSCUZLYQC-XUXIUFHCSA-N 0 3 233.311 0.828 20 0 BCADHN CC[C@@H](C(=O)N(C)[C@@H]1CCOC1)N(C)C ZINC000152557819 324181191 /nfs/dbraw/zinc/18/11/91/324181191.db2.gz UDMVLXTVTMGMCD-ZJUUUORDSA-N 0 3 214.309 0.574 20 0 BCADHN C[C@H](O)CN1CCN(CCCCCO)CC1 ZINC000189280259 324194598 /nfs/dbraw/zinc/19/45/98/324194598.db2.gz GTROXBWOKPSDJC-LBPRGKRZSA-N 0 3 230.352 0.147 20 0 BCADHN COC[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC000195313157 324202008 /nfs/dbraw/zinc/20/20/08/324202008.db2.gz YEOXBXWHFZFUFC-JTQLQIEISA-N 0 3 216.325 0.820 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCCC12CC2 ZINC000529389598 324285528 /nfs/dbraw/zinc/28/55/28/324285528.db2.gz UYUXHWCDKPEZEH-MNOVXSKESA-N 0 3 240.347 0.605 20 0 BCADHN C[C@H]1OCC[C@@]1(O)CNCc1ccc(F)cn1 ZINC000529560225 324342410 /nfs/dbraw/zinc/34/24/10/324342410.db2.gz ZWKTXFVZXCHAIB-BXKDBHETSA-N 0 3 240.278 0.850 20 0 BCADHN CC[C@@H](C(=O)NCc1cnnn1CC)N(C)C ZINC000529561520 324343563 /nfs/dbraw/zinc/34/35/63/324343563.db2.gz MNTXHMQUZKWLDB-JTQLQIEISA-N 0 3 239.323 0.254 20 0 BCADHN OC[C@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@@H]1O ZINC000529602632 324360555 /nfs/dbraw/zinc/36/05/55/324360555.db2.gz YKWJEGYTNYMUMG-OCCSQVGLSA-N 0 3 246.310 0.953 20 0 BCADHN C[C@@]1(CNCc2ccc(F)cn2)CCC(=O)N1 ZINC000529603266 324361080 /nfs/dbraw/zinc/36/10/80/324361080.db2.gz VAFJCJAPAPJTSD-LBPRGKRZSA-N 0 3 237.278 0.979 20 0 BCADHN COCCN(Cc1ccccn1)C(=O)CN ZINC000037824755 324578249 /nfs/dbraw/zinc/57/82/49/324578249.db2.gz HFYQGXKFQCSTNZ-UHFFFAOYSA-N 0 3 223.276 0.015 20 0 BCADHN COC[C@H](O)CN1C[C@@H](C)S[C@H](C)C1 ZINC000127136273 324748528 /nfs/dbraw/zinc/74/85/28/324748528.db2.gz LXJONJUVIRGRRW-OPRDCNLKSA-N 0 3 219.350 0.820 20 0 BCADHN CC(C)[C@H](C(=O)NCCCCC(N)=O)N(C)C ZINC000539016767 324819489 /nfs/dbraw/zinc/81/94/89/324819489.db2.gz WFLCWHUUKSZCGX-LLVKDONJSA-N 0 3 243.351 0.344 20 0 BCADHN CN(C)CCOCCNC(=O)C1CCOCC1 ZINC000539750480 324856155 /nfs/dbraw/zinc/85/61/55/324856155.db2.gz LSQIXFSRNBQTDT-UHFFFAOYSA-N 0 3 244.335 0.107 20 0 BCADHN CC(C)SCC(=O)NC[C@@](C)(O)CN(C)C ZINC000228752455 324922283 /nfs/dbraw/zinc/92/22/83/324922283.db2.gz LUTHMKKMVYVZFG-LLVKDONJSA-N 0 3 248.392 0.557 20 0 BCADHN Cc1ccccc1[C@@H](CO)NCCOCCO ZINC000541054158 324944616 /nfs/dbraw/zinc/94/46/16/324944616.db2.gz MALUBIXMJMGHPW-CYBMUJFWSA-N 0 3 239.315 0.627 20 0 BCADHN Cn1c(CNC2(C3CC3)CC2)cc(=O)n(C)c1=O ZINC000541594473 324967506 /nfs/dbraw/zinc/96/75/06/324967506.db2.gz CXNSAPJJWKAUEL-UHFFFAOYSA-N 0 3 249.314 0.116 20 0 BCADHN CC[C@@H](N)C(=O)NCCNC(=O)C(C)(C)C ZINC000129632114 324969070 /nfs/dbraw/zinc/96/90/70/324969070.db2.gz ULDHNCWEBRNQAG-MRVPVSSYSA-N 0 3 229.324 0.002 20 0 BCADHN C[NH2+]CCN(C)C(=O)c1ccccc1[O-] ZINC000069801560 324978791 /nfs/dbraw/zinc/97/87/91/324978791.db2.gz VZTRHWFWYPIVMQ-UHFFFAOYSA-N 0 3 208.261 0.684 20 0 BCADHN CCN(CC)CC(=O)NCCc1cncn1C ZINC000542481865 325030210 /nfs/dbraw/zinc/03/02/10/325030210.db2.gz IOKMVAZXHHZPNW-UHFFFAOYSA-N 0 3 238.335 0.421 20 0 BCADHN CC[C@@H](N)C(=O)NCc1ncccc1C ZINC000070909511 325044399 /nfs/dbraw/zinc/04/43/99/325044399.db2.gz AMSUFNHJRPHEND-SECBINFHSA-N 0 3 207.277 0.744 20 0 BCADHN COC1CN(C(=O)CCN(C)c2ccncc2)C1 ZINC000542784428 325047531 /nfs/dbraw/zinc/04/75/31/325047531.db2.gz UOBMTOTZOKMNFD-UHFFFAOYSA-N 0 3 249.314 0.765 20 0 BCADHN C[C@H]1CCN(CCNC(=O)C2(C)COC2)C1 ZINC000542964521 325065607 /nfs/dbraw/zinc/06/56/07/325065607.db2.gz MHLJUZGGAWIQQI-JTQLQIEISA-N 0 3 226.320 0.481 20 0 BCADHN CN1CC[C@H](C(=O)NCC(=O)C2CC2)C1 ZINC000543105054 325071873 /nfs/dbraw/zinc/07/18/73/325071873.db2.gz QJNIVOZXGCBXRD-VIFPVBQESA-N 0 3 210.277 0.033 20 0 BCADHN CNC(=O)c1cccc(C(=O)NCCN(C)C)c1 ZINC000130823089 325092108 /nfs/dbraw/zinc/09/21/08/325092108.db2.gz AGFBIPNAVUTINE-UHFFFAOYSA-N 0 3 249.314 0.338 20 0 BCADHN OC[C@@]1(NCc2ccc3[nH]cnc3c2)CCOC1 ZINC000543643444 325100159 /nfs/dbraw/zinc/10/01/59/325100159.db2.gz VVAWRJDGRXUVCM-ZDUSSCGKSA-N 0 3 247.298 0.804 20 0 BCADHN OC[C@@]1(NCc2ccc3nc[nH]c3c2)CCOC1 ZINC000543643444 325100162 /nfs/dbraw/zinc/10/01/62/325100162.db2.gz VVAWRJDGRXUVCM-ZDUSSCGKSA-N 0 3 247.298 0.804 20 0 BCADHN CC[C@@H](O)CN(CC(N)=O)C(C)(C)C ZINC000131382805 325144553 /nfs/dbraw/zinc/14/45/53/325144553.db2.gz PVUGOLYOAKNTAB-MRVPVSSYSA-N 0 3 202.298 0.343 20 0 BCADHN CNC(=O)CCCN1CCN(CC2CC2)CC1 ZINC000564280625 325159801 /nfs/dbraw/zinc/15/98/01/325159801.db2.gz LOHITKRRHGWSCT-UHFFFAOYSA-N 0 3 239.363 0.540 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)c2cncnc2)C1 ZINC000544877691 325164809 /nfs/dbraw/zinc/16/48/09/325164809.db2.gz BVWCFJMRAKTPRH-SNVBAGLBSA-N 0 3 234.303 0.548 20 0 BCADHN CCN(C)S(=O)(=O)NCCCN1CCCC1 ZINC000072676786 325164890 /nfs/dbraw/zinc/16/48/90/325164890.db2.gz ZGQUTUVGVCSDCM-UHFFFAOYSA-N 0 3 249.380 0.258 20 0 BCADHN CCN1CCN(CC)[C@H](C(=O)N(C)C)C1 ZINC000131757076 325182368 /nfs/dbraw/zinc/18/23/68/325182368.db2.gz BOOSFYBZVDOZQG-JTQLQIEISA-N 0 3 213.325 0.101 20 0 BCADHN COCCN(C)CCNC(=O)N(C)C1CCC1 ZINC000074064940 325224760 /nfs/dbraw/zinc/22/47/60/325224760.db2.gz NLHUUCXKAOAQEE-UHFFFAOYSA-N 0 3 243.351 0.759 20 0 BCADHN CCN1CCC[C@H](NC(=O)N2CCOCC2)C1 ZINC000132598587 325228091 /nfs/dbraw/zinc/22/80/91/325228091.db2.gz ZLXSGJVYGFMBDL-NSHDSACASA-N 0 3 241.335 0.513 20 0 BCADHN CCN(CC)CC(=O)NC[C@](C)(O)CC ZINC000074197267 325231301 /nfs/dbraw/zinc/23/13/01/325231301.db2.gz GJQHPQWPYUQCAF-LLVKDONJSA-N 0 3 216.325 0.605 20 0 BCADHN CC(C)CNC(=O)NC[C@](C)(O)CN(C)C ZINC000132705403 325239263 /nfs/dbraw/zinc/23/92/63/325239263.db2.gz CXNIZAVEFISULK-NSHDSACASA-N 0 3 231.340 0.254 20 0 BCADHN C[C@@]1(CO)CCCN1C[C@@H](O)C(F)(F)F ZINC000545894967 325243506 /nfs/dbraw/zinc/24/35/06/325243506.db2.gz KELPOSRFKFOSAB-SFYZADRCSA-N 0 3 227.226 0.756 20 0 BCADHN CN(CCN(C)[C@H]1CCCN(C)C1=O)C1CC1 ZINC000546028080 325260654 /nfs/dbraw/zinc/26/06/54/325260654.db2.gz WKPIOFJHEPLYOF-LBPRGKRZSA-N 0 3 239.363 0.633 20 0 BCADHN CC1(C)CCN1C[C@@H](O)CN1CCOCC1 ZINC000546050213 325262173 /nfs/dbraw/zinc/26/21/73/325262173.db2.gz SKLADAIMDFGMDT-NSHDSACASA-N 0 3 228.336 0.164 20 0 BCADHN C[C@H](CNC(=O)c1cncnc1)N1CCCC1 ZINC000546201445 325271433 /nfs/dbraw/zinc/27/14/33/325271433.db2.gz IOWOFBKUGJEZPW-SNVBAGLBSA-N 0 3 234.303 0.691 20 0 BCADHN CSCCCNC(=O)NCCN(C)C ZINC000133713719 325312370 /nfs/dbraw/zinc/31/23/70/325312370.db2.gz CTOAQPKYNNLCEG-UHFFFAOYSA-N 0 3 219.354 0.600 20 0 BCADHN CC[C@H](C)OCC(=O)NCCN(C)CC ZINC000133435154 325294576 /nfs/dbraw/zinc/29/45/76/325294576.db2.gz BQAYWWZTCDOOSN-JTQLQIEISA-N 0 3 216.325 0.869 20 0 BCADHN C[C@H](O)C[C@H]1COCCN1C[C@@H]1CCCOC1 ZINC000546630538 325296441 /nfs/dbraw/zinc/29/64/41/325296441.db2.gz NGCALNVFJVAMHZ-AVGNSLFASA-N 0 3 243.347 0.885 20 0 BCADHN CCOC(=O)CCN(C)CC[C@H](C)O ZINC000075777247 325310776 /nfs/dbraw/zinc/31/07/76/325310776.db2.gz LBGFRQXICRUHLM-VIFPVBQESA-N 0 3 203.282 0.642 20 0 BCADHN Cn1nccc1CN1CCC[C@]1(C)CO ZINC000546811649 325313106 /nfs/dbraw/zinc/31/31/06/325313106.db2.gz IRNIRTKVPUJYIR-LLVKDONJSA-N 0 3 209.293 0.767 20 0 BCADHN COC[C@H](NC(=O)NCCN(C)C)C1CC1 ZINC000133928768 325331392 /nfs/dbraw/zinc/33/13/92/325331392.db2.gz POZOAPVZOKNNHA-JTQLQIEISA-N 0 3 229.324 0.272 20 0 BCADHN CC[C@H](NC(=O)NCCN(C)C)[C@H]1CCCO1 ZINC000133946734 325332588 /nfs/dbraw/zinc/33/25/88/325332588.db2.gz LCDNAMKCZQJRNY-WDEREUQCSA-N 0 3 243.351 0.805 20 0 BCADHN CC1CC(NC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000547297531 325336370 /nfs/dbraw/zinc/33/63/70/325336370.db2.gz QKLGVFJNZNALFQ-CBINBANVSA-N 0 3 241.335 0.151 20 0 BCADHN CO[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC000076244000 325337846 /nfs/dbraw/zinc/33/78/46/325337846.db2.gz WOCFRLDVWLKIKM-LLVKDONJSA-N 0 3 228.336 0.964 20 0 BCADHN Cn1cc(C(C)(C)NCCn2cncn2)cn1 ZINC000547413859 325352330 /nfs/dbraw/zinc/35/23/30/325352330.db2.gz WTXVOPSVFFSSIB-UHFFFAOYSA-N 0 3 234.307 0.537 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)N2CCOCC2)C1 ZINC000134305614 325353243 /nfs/dbraw/zinc/35/32/43/325353243.db2.gz MFNMJSWRVQQRPI-NSHDSACASA-N 0 3 241.335 0.465 20 0 BCADHN CC[C@@H](N[C@@H](COC)C1CC1)C(N)=O ZINC000136648308 325463591 /nfs/dbraw/zinc/46/35/91/325463591.db2.gz RVPVULBMRWXAOX-BDAKNGLRSA-N 0 3 200.282 0.265 20 0 BCADHN COC[C@](C)(CCO)NCCC(=O)OC(C)C ZINC000079920818 325469632 /nfs/dbraw/zinc/46/96/32/325469632.db2.gz VMWMJIZDHXNPGC-LBPRGKRZSA-N 0 3 247.335 0.705 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)C2CC(=O)C2)C1 ZINC000136867474 325471034 /nfs/dbraw/zinc/47/10/34/325471034.db2.gz JQWAKRISPIRBDQ-JTQLQIEISA-N 0 3 224.304 0.518 20 0 BCADHN CNC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000142546224 325639262 /nfs/dbraw/zinc/63/92/62/325639262.db2.gz DRQFUVXJCNMXEI-UHFFFAOYSA-N 0 3 239.363 0.683 20 0 BCADHN C[C@@H](O)C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000553772538 325699250 /nfs/dbraw/zinc/69/92/50/325699250.db2.gz OBDUUHSBLJGMKH-GMTAPVOTSA-N 0 3 226.320 0.452 20 0 BCADHN CC(=O)N1CC[C@H](NCc2cccn2C)C1 ZINC000152815173 325803935 /nfs/dbraw/zinc/80/39/35/325803935.db2.gz WEZCZLHNOVQKJA-NSHDSACASA-N 0 3 221.304 0.736 20 0 BCADHN COc1cccnc1NC(=O)[C@H](CN)OC ZINC000564725102 325805357 /nfs/dbraw/zinc/80/53/57/325805357.db2.gz BWVPLEGGCXQREB-QMMMGPOBSA-N 0 3 225.248 0.002 20 0 BCADHN O=S1(=O)CCC[C@H]1CNCC1(O)CCC1 ZINC000564792081 325809580 /nfs/dbraw/zinc/80/95/80/325809580.db2.gz AWOAWJRTNPGNHT-VIFPVBQESA-N 0 3 233.333 0.068 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@H](C)N)C1CCCCC1 ZINC000564990666 325841944 /nfs/dbraw/zinc/84/19/44/325841944.db2.gz WWTPYQZMTPMGBY-WPRPVWTQSA-N 0 3 242.319 0.572 20 0 BCADHN COC(=O)CCCN(CCO)C1CC1 ZINC000042480056 487970654 /nfs/dbraw/zinc/97/06/54/487970654.db2.gz KWRCOQPNKZXIBT-UHFFFAOYSA-N 0 3 201.266 0.396 20 0 BCADHN Cc1ncncc1[C@H](C)N[C@@H]1CC[C@H]1O ZINC000565218814 325878815 /nfs/dbraw/zinc/87/88/15/325878815.db2.gz PEQRHEYENKEWAU-JMJZKYOTSA-N 0 3 207.277 0.959 20 0 BCADHN O=C(CN1C[C@H]2CCC[C@@H]2C1)NC1CC1 ZINC000153234780 325928541 /nfs/dbraw/zinc/92/85/41/325928541.db2.gz ZYTCPVMSNFVAHT-NXEZZACHSA-N 0 3 208.305 0.997 20 0 BCADHN C[C@H](O)[C@H](C)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000565594241 325931739 /nfs/dbraw/zinc/93/17/39/325931739.db2.gz RGOLFOWKSDALSG-MFDAYCCISA-N 0 3 226.320 0.355 20 0 BCADHN O=C(CNC1CC1)N1CCc2cc[nH]c(=O)c2C1 ZINC000565656630 325938718 /nfs/dbraw/zinc/93/87/18/325938718.db2.gz VXYJKHIQHSXJDA-UHFFFAOYSA-N 0 3 247.298 0.424 20 0 BCADHN C[C@H]1Oc2ccccc2[C@H]1NCCC(N)=O ZINC000566131217 326000356 /nfs/dbraw/zinc/00/03/56/326000356.db2.gz WLQCSOFCCQXBSP-PELKAZGASA-N 0 3 220.272 0.974 20 0 BCADHN CCC[C@H](NC(=O)CNC1CC1)C(=O)OC ZINC000566187163 326008602 /nfs/dbraw/zinc/00/86/02/326008602.db2.gz PFLKAIBKDQBJTL-VIFPVBQESA-N 0 3 228.292 0.196 20 0 BCADHN CC(C)(C(=O)NCC(N)=O)[C@@H](N)c1ccccc1 ZINC000566194495 326010525 /nfs/dbraw/zinc/01/05/25/326010525.db2.gz ZASHUTAULSXPEJ-NSHDSACASA-N 0 3 249.314 0.314 20 0 BCADHN CC(C)n1ncnc1CNC(=O)CNC1CC1 ZINC000566195332 326010907 /nfs/dbraw/zinc/01/09/07/326010907.db2.gz LJPWLAPIMSFTRZ-UHFFFAOYSA-N 0 3 237.307 0.227 20 0 BCADHN CCOC(=O)C1(CNC(=O)CNC)CCC1 ZINC000566197157 326011343 /nfs/dbraw/zinc/01/13/43/326011343.db2.gz LYWSINWAFVBPCV-UHFFFAOYSA-N 0 3 228.292 0.055 20 0 BCADHN [NH3+]C[C@H]1CC[C@H](CNC(=O)c2c[n-]nn2)CC1 ZINC000566204944 326012556 /nfs/dbraw/zinc/01/25/56/326012556.db2.gz QPVRXMXZOKRREA-KYZUINATSA-N 0 3 237.307 0.300 20 0 BCADHN [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cnn[n-]2)CC1 ZINC000566204944 326012561 /nfs/dbraw/zinc/01/25/61/326012561.db2.gz QPVRXMXZOKRREA-KYZUINATSA-N 0 3 237.307 0.300 20 0 BCADHN [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cn[n-]n2)CC1 ZINC000566204944 326012563 /nfs/dbraw/zinc/01/25/63/326012563.db2.gz QPVRXMXZOKRREA-KYZUINATSA-N 0 3 237.307 0.300 20 0 BCADHN NC1(C(=O)NCc2nc3cccnc3[nH]2)CC1 ZINC000566250169 326023569 /nfs/dbraw/zinc/02/35/69/326023569.db2.gz NLSSUAKVBSPUKK-UHFFFAOYSA-N 0 3 231.259 0.065 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CC(n3ccnc3)C2)C1 ZINC000566441633 326047439 /nfs/dbraw/zinc/04/74/39/326047439.db2.gz IFOHUOYZBQTAKT-LLVKDONJSA-N 0 3 248.330 0.608 20 0 BCADHN C[C@@H](CCCO)NC(=O)CN1CC[C@@H](C)C1 ZINC000566442515 326048307 /nfs/dbraw/zinc/04/83/07/326048307.db2.gz SDHSFLOIXHPMRI-MNOVXSKESA-N 0 3 228.336 0.605 20 0 BCADHN C[C@@H]1CCN(CC(=O)N2CCO[C@@H](CF)C2)C1 ZINC000566465065 326051873 /nfs/dbraw/zinc/05/18/73/326051873.db2.gz HKEOMJWSVYWUDA-MNOVXSKESA-N 0 3 244.310 0.525 20 0 BCADHN CCOC[C@H]1CCN(C(=O)[C@H](C)NC)C1 ZINC000566474074 326053628 /nfs/dbraw/zinc/05/36/28/326053628.db2.gz NYYUNAFNNSXBTO-UWVGGRQHSA-N 0 3 214.309 0.479 20 0 BCADHN COc1nccnc1CNCCCN1CCC1 ZINC000566475633 326054027 /nfs/dbraw/zinc/05/40/27/326054027.db2.gz NTAUXRZMHPUHNN-UHFFFAOYSA-N 0 3 236.319 0.671 20 0 BCADHN Cc1ccnc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000566490155 326057555 /nfs/dbraw/zinc/05/75/55/326057555.db2.gz GPCRRRREENXQQB-WDEREUQCSA-N 0 3 246.314 0.138 20 0 BCADHN CCN1C[C@@H](C)N(C(=O)CN(C)C)[C@H](C)C1 ZINC000566570265 326065284 /nfs/dbraw/zinc/06/52/84/326065284.db2.gz GPISUDVFHLTUID-GHMZBOCLSA-N 0 3 227.352 0.489 20 0 BCADHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000309466291 487971514 /nfs/dbraw/zinc/97/15/14/487971514.db2.gz VWVZWUFSWAUXRX-QMMMGPOBSA-N 0 3 246.307 0.712 20 0 BCADHN CC[C@H](C(=O)NCCCc1nnc[n-]1)[NH+](C)C ZINC000566744683 326079588 /nfs/dbraw/zinc/07/95/88/326079588.db2.gz GRTGBJXHTMGAMI-SECBINFHSA-N 0 3 239.323 0.194 20 0 BCADHN CC[C@H](C(=O)NCCCc1nnc[nH]1)N(C)C ZINC000566744683 326079591 /nfs/dbraw/zinc/07/95/91/326079591.db2.gz GRTGBJXHTMGAMI-SECBINFHSA-N 0 3 239.323 0.194 20 0 BCADHN Cc1ccccc1C(=O)N[C@H](CO)CN(C)C ZINC000673520544 487971518 /nfs/dbraw/zinc/97/15/18/487971518.db2.gz GFMILQSENPVZSS-NSHDSACASA-N 0 3 236.315 0.647 20 0 BCADHN CC(C)OCCCNC[C@@H](C)S(C)(=O)=O ZINC000566791690 326082623 /nfs/dbraw/zinc/08/26/23/326082623.db2.gz DXDBWMFSLZVJIA-SNVBAGLBSA-N 0 3 237.365 0.824 20 0 BCADHN CN(C)C(=O)CCN1CCOC[C@H]1C1CCC1 ZINC000566795537 326083414 /nfs/dbraw/zinc/08/34/14/326083414.db2.gz QQGWAXNCGQAPQV-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)NCC(=O)NCCNC(=O)C(C)(C)C ZINC000566864441 326089963 /nfs/dbraw/zinc/08/99/63/326089963.db2.gz FZJXZTYQHXOSID-UHFFFAOYSA-N 0 3 243.351 0.263 20 0 BCADHN CCC[C@@H](C)[C@H](CO)NCC(=O)N(C)CC ZINC000566976108 326098815 /nfs/dbraw/zinc/09/88/15/326098815.db2.gz KDMXBXKNELZPMU-MNOVXSKESA-N 0 3 230.352 0.851 20 0 BCADHN Cc1ncncc1[C@@H](C)N[C@H](C)CC(N)=O ZINC000566923337 326094441 /nfs/dbraw/zinc/09/44/41/326094441.db2.gz FRKQYSSZAZJTQL-VXNVDRBHSA-N 0 3 222.292 0.700 20 0 BCADHN OCC(CO)NCCSC1CCCCC1 ZINC000566922803 326094462 /nfs/dbraw/zinc/09/44/62/326094462.db2.gz CXGVBLTZJUOWDA-UHFFFAOYSA-N 0 3 233.377 0.995 20 0 BCADHN COC[C@H](O)CN1CC[C@H](c2ccncc2)C1 ZINC000566981679 326099331 /nfs/dbraw/zinc/09/93/31/326099331.db2.gz NECQOUVLFXAFLW-QWHCGFSZSA-N 0 3 236.315 0.878 20 0 BCADHN CO[C@H](CN)C(=O)N1CCNc2ccccc21 ZINC000567160111 326123947 /nfs/dbraw/zinc/12/39/47/326123947.db2.gz OJOZWEPFUDBBJF-LLVKDONJSA-N 0 3 235.287 0.419 20 0 BCADHN COCCCNC(=O)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000154326616 326139697 /nfs/dbraw/zinc/13/96/97/326139697.db2.gz WOOKMQFDODRPTI-TXEJJXNPSA-N 0 3 240.347 0.871 20 0 BCADHN Cc1noc(C)c1CCNC(=O)CNC1CC1 ZINC000154394869 326142597 /nfs/dbraw/zinc/14/25/97/326142597.db2.gz OUUFLBGTANKVDQ-UHFFFAOYSA-N 0 3 237.303 0.702 20 0 BCADHN O=C(CNC1CC1)Nc1ccn(CC(F)F)n1 ZINC000154604358 326152860 /nfs/dbraw/zinc/15/28/60/326152860.db2.gz ZPXZIPLVISXXJD-UHFFFAOYSA-N 0 3 244.245 0.839 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H](Cc2ccccc2)C(N)=O)CO1 ZINC000567270932 326154125 /nfs/dbraw/zinc/15/41/25/326154125.db2.gz UXDYTNCHUVMPPC-WXHSDQCUSA-N 0 3 248.326 0.850 20 0 BCADHN C[C@H](N)C(=O)N[C@@H]1COc2cc(F)ccc2C1 ZINC000567292103 326156988 /nfs/dbraw/zinc/15/69/88/326156988.db2.gz FNJFUTFULSNIQS-XVKPBYJWSA-N 0 3 238.262 0.593 20 0 BCADHN CCN1CCCC[C@@H]1CNc1nnnn1C ZINC000309953655 326176685 /nfs/dbraw/zinc/17/66/85/326176685.db2.gz HFUDAIVDMNENGY-SECBINFHSA-N 0 3 224.312 0.496 20 0 BCADHN CN(C[C@H]1CCSC1)[C@@H]1COC[C@H]1O ZINC000567428837 326188666 /nfs/dbraw/zinc/18/86/66/326188666.db2.gz TVEVRIVSBMUWTC-OPRDCNLKSA-N 0 3 217.334 0.431 20 0 BCADHN C[C@@H]1CCN(CC(=O)N[C@H]2CC23CC3)C1 ZINC000567519019 326209004 /nfs/dbraw/zinc/20/90/04/326209004.db2.gz BMNWQBWVICVKIA-ZJUUUORDSA-N 0 3 208.305 0.997 20 0 BCADHN CC[C@@H](C)[C@H](O)CNC(=O)CN(CC)CC ZINC000155784460 326211939 /nfs/dbraw/zinc/21/19/39/326211939.db2.gz UEIBHVZHBXZKCW-GHMZBOCLSA-N 0 3 230.352 0.851 20 0 BCADHN CC[C@@H](C(=O)NC1CCOCC1)N(C)C ZINC000156157363 326220555 /nfs/dbraw/zinc/22/05/55/326220555.db2.gz PZTIHRNMQNPNFY-JTQLQIEISA-N 0 3 214.309 0.622 20 0 BCADHN CS[C@@H]1CC[C@@H]1NC[C@H](C)S(C)(=O)=O ZINC000567687436 326241211 /nfs/dbraw/zinc/24/12/11/326241211.db2.gz HXFZVOWGLXSWOW-XHNCKOQMSA-N 0 3 237.390 0.903 20 0 BCADHN CC(C)OCCCC(=O)NC[C@@H]1CNCCO1 ZINC000567674745 326243193 /nfs/dbraw/zinc/24/31/93/326243193.db2.gz ALYHXPYGRZHQCJ-NSHDSACASA-N 0 3 244.335 0.296 20 0 BCADHN CSC[C@@H](O)CNCc1c[nH]nc1C ZINC000567678197 326244101 /nfs/dbraw/zinc/24/41/01/326244101.db2.gz MXKMFPQCKOUHDN-VIFPVBQESA-N 0 3 215.322 0.532 20 0 BCADHN C[C@@H](O)[C@@H](C)NCC(=O)N1CCc2ccccc21 ZINC000567682665 326244483 /nfs/dbraw/zinc/24/44/83/326244483.db2.gz ZNLOQMISEKNBAH-GHMZBOCLSA-N 0 3 248.326 0.935 20 0 BCADHN O[C@@H](CN[C@@H]1C[C@H]1c1ccco1)Cn1cccn1 ZINC000567692689 326246100 /nfs/dbraw/zinc/24/61/00/326246100.db2.gz AGPSNWUNXRGXMR-QJPTWQEYSA-N 0 3 247.298 0.983 20 0 BCADHN O=C1C[C@H](N2CC[C@H](C3CC3)C2)C(=O)N1 ZINC000567748158 326255044 /nfs/dbraw/zinc/25/50/44/326255044.db2.gz LVZJRLSDGOFQKW-IUCAKERBSA-N 0 3 208.261 0.133 20 0 BCADHN C[NH2+]CCCC(=O)Nc1ccncc1[O-] ZINC000567801987 326259542 /nfs/dbraw/zinc/25/95/42/326259542.db2.gz LEEMKAWBJLVALQ-UHFFFAOYSA-N 0 3 209.249 0.147 20 0 BCADHN C[C@H](O)C[C@@H]1COCCN1CC1CCOCC1 ZINC000157182766 326260265 /nfs/dbraw/zinc/26/02/65/326260265.db2.gz FONOJWQHDDWBQI-WCQYABFASA-N 0 3 243.347 0.885 20 0 BCADHN Cc1cc(NC(=O)[C@H](C)NC2CC2)c(=O)n(C)c1 ZINC000567818544 326262860 /nfs/dbraw/zinc/26/28/60/326262860.db2.gz FTHLIDIXLUSFAA-VIFPVBQESA-N 0 3 249.314 0.773 20 0 BCADHN CO[C@@H]1C[C@H](N[C@@H]2COC[C@H]2OC)C12CCC2 ZINC000567856975 326271456 /nfs/dbraw/zinc/27/14/56/326271456.db2.gz WBLAFAHAPNUBCS-WISYIIOYSA-N 0 3 241.331 0.947 20 0 BCADHN Cc1cc(C(=O)NC[C@H]2CCN(C)C2)ncn1 ZINC000157431002 326274118 /nfs/dbraw/zinc/27/41/18/326274118.db2.gz PNHOKYDCSGHESI-SNVBAGLBSA-N 0 3 234.303 0.467 20 0 BCADHN CC[C@@H](N)C(=O)N[C@@](C)(C(N)=O)c1ccccc1 ZINC000567890463 326277214 /nfs/dbraw/zinc/27/72/14/326277214.db2.gz RJWCXJCFQJOFLT-ZWNOBZJWSA-N 0 3 249.314 0.241 20 0 BCADHN NCC(=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000567897943 326278996 /nfs/dbraw/zinc/27/89/96/326278996.db2.gz ZAAFTRFNGIAEBK-ZETCQYMHSA-N 0 3 240.225 0.515 20 0 BCADHN COCCNCCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000567909943 326281310 /nfs/dbraw/zinc/28/13/10/326281310.db2.gz DMPDOKKKKAKDTC-NWDGAFQWSA-N 0 3 240.347 0.775 20 0 BCADHN C[C@H](C(=O)NCCN(C)C)C1CCOCC1 ZINC000157757666 326294271 /nfs/dbraw/zinc/29/42/71/326294271.db2.gz VROHJGGZVLJXED-JTQLQIEISA-N 0 3 228.336 0.727 20 0 BCADHN CC(C)C(C)(C)NCc1cn(CC(N)=O)nn1 ZINC000568036670 326298928 /nfs/dbraw/zinc/29/89/28/326298928.db2.gz OKBDAVIIMCLBFD-UHFFFAOYSA-N 0 3 239.323 0.288 20 0 BCADHN CCN(CC1CC1)[C@H](C)C(=O)NCC(=O)OC ZINC000157986073 326303172 /nfs/dbraw/zinc/30/31/72/326303172.db2.gz HYQQEXNDUJQDHA-SECBINFHSA-N 0 3 242.319 0.396 20 0 BCADHN CNC(=O)CCN1CCOC2(CCCC2)C1 ZINC000158050866 326306213 /nfs/dbraw/zinc/30/62/13/326306213.db2.gz LMTCGWIVANNGLK-UHFFFAOYSA-N 0 3 226.320 0.768 20 0 BCADHN CN(C)CCOCCNC(=O)[C@@H]1CCC(=O)C1 ZINC000568093588 326307379 /nfs/dbraw/zinc/30/73/79/326307379.db2.gz MSCWPPTXIULJPK-SNVBAGLBSA-N 0 3 242.319 0.050 20 0 BCADHN COC(=O)CCN1CCN(c2ncc[nH]2)CC1 ZINC000568167877 326318221 /nfs/dbraw/zinc/31/82/21/326318221.db2.gz QVXPFUUDUDABAF-UHFFFAOYSA-N 0 3 238.291 0.095 20 0 BCADHN C[C@@H]1CCN(CC(=O)N(C)Cc2cc[nH]n2)C1 ZINC000568199051 326324781 /nfs/dbraw/zinc/32/47/81/326324781.db2.gz OUZFWTKLTLNCKS-SNVBAGLBSA-N 0 3 236.319 0.710 20 0 BCADHN CC[C@](C)(CO)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000568201708 326325195 /nfs/dbraw/zinc/32/51/95/326325195.db2.gz XIGOIRBQSCNNGV-NQBHXWOUSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1CCN(CC(=O)NCCC2CC(O)C2)C1 ZINC000568205135 326325687 /nfs/dbraw/zinc/32/56/87/326325687.db2.gz FQEHUBZGVNLEDG-VOMCLLRMSA-N 0 3 240.347 0.605 20 0 BCADHN CC(=O)N1CC(N[C@@H](C)[C@H]2CCCO2)C1 ZINC000568240126 326332743 /nfs/dbraw/zinc/33/27/43/326332743.db2.gz YVNMCUHQWOHKLC-GZMMTYOYSA-N 0 3 212.293 0.374 20 0 BCADHN Cn1cnc(N2CC[C@@H]3CCN(C)C[C@H]32)cc1=O ZINC000568412888 326355935 /nfs/dbraw/zinc/35/59/35/326355935.db2.gz MLVXERSZMZPPHY-WDEREUQCSA-N 0 3 248.330 0.311 20 0 BCADHN Cc1ncc2c(n1)CCN(C(=O)C1(N)CCC1)C2 ZINC000568622492 326368058 /nfs/dbraw/zinc/36/80/58/326368058.db2.gz BUTCTIJASOSRRA-UHFFFAOYSA-N 0 3 246.314 0.551 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000568630079 326368881 /nfs/dbraw/zinc/36/88/81/326368881.db2.gz MPUMHQSJZLJRGF-FOGDFJRCSA-N 0 3 238.331 0.764 20 0 BCADHN CCN(C)C(=O)CCN1CCNC[C@H]1C(F)F ZINC000568748457 326374744 /nfs/dbraw/zinc/37/47/44/326374744.db2.gz AWXJUCDYKJTSLH-VIFPVBQESA-N 0 3 249.305 0.394 20 0 BCADHN C[C@H]1CCN(CC(=O)N(C)CC2(O)CCC2)C1 ZINC000568762892 326375919 /nfs/dbraw/zinc/37/59/19/326375919.db2.gz LSDALUDSKQVYFF-NSHDSACASA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H]1CCN(CCNC(=O)c2ccc(N)cn2)C1 ZINC000568888037 326381585 /nfs/dbraw/zinc/38/15/85/326381585.db2.gz VWWJLADWAMROKI-JTQLQIEISA-N 0 3 248.330 0.735 20 0 BCADHN CN(C)C(=O)CCN1CCN(C)C(C)(C)C1 ZINC000569137676 326392588 /nfs/dbraw/zinc/39/25/88/326392588.db2.gz NGLJREHMPZFKLR-UHFFFAOYSA-N 0 3 227.352 0.491 20 0 BCADHN CCN(CC)C(=O)CN1CCNC[C@H]1C(F)F ZINC000569104266 326390142 /nfs/dbraw/zinc/39/01/42/326390142.db2.gz BFYDTYPBUIFEHJ-VIFPVBQESA-N 0 3 249.305 0.394 20 0 BCADHN COC(=O)C1(NC(=O)CNC2CC2)CCCC1 ZINC000569104445 326390483 /nfs/dbraw/zinc/39/04/83/326390483.db2.gz MNLIFWHYIAHWMJ-UHFFFAOYSA-N 0 3 240.303 0.340 20 0 BCADHN CC[C@H](N)C(=O)NCc1ccc(C(C)=O)c(C)n1 ZINC000569118529 326391421 /nfs/dbraw/zinc/39/14/21/326391421.db2.gz SNNOQWIDWMALKZ-LBPRGKRZSA-N 0 3 249.314 0.946 20 0 BCADHN COCCCCN1CC(C)(C(N)=O)C1 ZINC000573244060 326437467 /nfs/dbraw/zinc/43/74/67/326437467.db2.gz NTYWWADGLJCHAM-UHFFFAOYSA-N 0 3 200.282 0.220 20 0 BCADHN COCCN1CCC[C@H](n2ccnn2)C1 ZINC000425507855 487973633 /nfs/dbraw/zinc/97/36/33/487973633.db2.gz NCBRBICDGQDCON-JTQLQIEISA-N 0 3 210.281 0.561 20 0 BCADHN CNCC(=O)N[C@H]1CNc2ccccc2C1 ZINC000653204642 487974687 /nfs/dbraw/zinc/97/46/87/487974687.db2.gz ATBGGRDYCICMQC-SNVBAGLBSA-N 0 3 219.288 0.359 20 0 BCADHN CCN(C(=O)[C@@H](N)C1CCC1)c1cnn(C)c1 ZINC000655522609 487978171 /nfs/dbraw/zinc/97/81/71/487978171.db2.gz YGSXGPIKZGJUSM-NSHDSACASA-N 0 3 236.319 0.900 20 0 BCADHN CCn1ncnc1CNC[C@H](C)N(C)C ZINC000083977952 487979243 /nfs/dbraw/zinc/97/92/43/487979243.db2.gz VFTCPDDFAYYCDT-VIFPVBQESA-N 0 3 211.313 0.338 20 0 BCADHN CNC(=O)[C@H]1CCCN(Cc2ccc(N)nc2)C1 ZINC000220373906 487980488 /nfs/dbraw/zinc/98/04/88/487980488.db2.gz WOPGFJKOTVZAGF-NSHDSACASA-N 0 3 248.330 0.622 20 0 BCADHN CC(C)NCC(=O)NC1(C)CCOCC1 ZINC000229900953 487987428 /nfs/dbraw/zinc/98/74/28/487987428.db2.gz ZNSFDZUVICXFLQ-UHFFFAOYSA-N 0 3 214.309 0.670 20 0 BCADHN CCN1CCN(Cc2cnn(C)c2)C[C@@H]1C ZINC000677197257 487987638 /nfs/dbraw/zinc/98/76/38/487987638.db2.gz YFKGVKNLAXTLEA-NSHDSACASA-N 0 3 222.336 0.946 20 0 BCADHN CN(C)CC(C)(C)NC(=O)NCCOCCF ZINC000667392496 487993936 /nfs/dbraw/zinc/99/39/36/487993936.db2.gz SOFBVQPTNNYWLC-UHFFFAOYSA-N 0 3 249.330 0.612 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CC=CCC1 ZINC000673523273 487998274 /nfs/dbraw/zinc/99/82/74/487998274.db2.gz JSJSUAXYJGFAHL-GHMZBOCLSA-N 0 3 226.320 0.381 20 0 BCADHN CN(CCNc1ccc2nnnn2n1)C1CC1 ZINC000109193669 487999907 /nfs/dbraw/zinc/99/99/07/487999907.db2.gz MOABQOBLCDMRMR-UHFFFAOYSA-N 0 3 233.279 0.025 20 0 BCADHN OCCC1CCN(C[C@@H]2CNCCO2)CC1 ZINC000401026631 488000067 /nfs/dbraw/zinc/00/00/67/488000067.db2.gz NVPCPOXDZJJZTM-LBPRGKRZSA-N 0 3 228.336 0.069 20 0 BCADHN CCN1CCN(CCc2cnn(C)c2)C[C@@H]1C ZINC000677196514 488000985 /nfs/dbraw/zinc/00/09/85/488000985.db2.gz SNEOEZXWCKBDLW-LBPRGKRZSA-N 0 3 236.363 0.989 20 0 BCADHN CCN(C#N)CCN1CC[C@H](C)[C@H](CO)C1 ZINC000602913639 488001083 /nfs/dbraw/zinc/00/10/83/488001083.db2.gz QPRVOSCXZBPMRW-RYUDHWBXSA-N 0 3 225.336 0.740 20 0 BCADHN CC[C@H](N)c1cn(CC(=O)NC(C)C)nn1 ZINC000229935188 488001220 /nfs/dbraw/zinc/00/12/20/488001220.db2.gz DKGBQZZLOPQDQX-QMMMGPOBSA-N 0 3 225.296 0.213 20 0 BCADHN C[C@@H]1CCN1C(=O)NCCOCCN(C)C ZINC000682615054 488002969 /nfs/dbraw/zinc/00/29/69/488002969.db2.gz YGFHKIZTIPWUMG-SNVBAGLBSA-N 0 3 229.324 0.368 20 0 BCADHN CNCC(=O)Nc1cccc2c1CCN2 ZINC000309631304 488003282 /nfs/dbraw/zinc/00/32/82/488003282.db2.gz KNFHWZQAWOPOBC-UHFFFAOYSA-N 0 3 205.261 0.813 20 0 BCADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ncc[nH]1 ZINC000669118278 488006216 /nfs/dbraw/zinc/00/62/16/488006216.db2.gz KRYSQCWJBPIUEI-VHSXEESVSA-N 0 3 236.319 0.822 20 0 BCADHN CC[C@H](C(=O)N1CCC[C@@]1(C)CO)N(C)C ZINC000665823957 488007356 /nfs/dbraw/zinc/00/73/56/488007356.db2.gz WJRBKWNDOWEYSE-PWSUYJOCSA-N 0 3 228.336 0.700 20 0 BCADHN Cn1ccc(CN[C@@H]2CCc3c(nnn3C)C2)n1 ZINC000655842618 488012299 /nfs/dbraw/zinc/01/22/99/488012299.db2.gz PIYROJTXVPXYKG-SECBINFHSA-N 0 3 246.318 0.196 20 0 BCADHN CCN1OC[C@@H](N2C[C@@H]3CCC[C@@H]3C2)C1=O ZINC000682677866 488013110 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488098132 /nfs/dbraw/zinc/09/81/32/488098132.db2.gz CAUSWDVZEXQLTE-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CC[C@H](N)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000236936011 488099804 /nfs/dbraw/zinc/09/98/04/488099804.db2.gz LGVKHOAPUORENA-MNOVXSKESA-N 0 3 248.330 0.514 20 0 BCADHN CCN(C)C(=O)CN1CCC2(CCOC2)CC1 ZINC000677721193 488101672 /nfs/dbraw/zinc/10/16/72/488101672.db2.gz XDNHWQJUSOPBDL-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN C1CN[C@@H](c2noc([C@H]3CCCN3)n2)C1 ZINC000258133162 488101792 /nfs/dbraw/zinc/10/17/92/488101792.db2.gz UVCIWAXWAISNDD-HTQZYQBOSA-N 0 3 208.265 0.919 20 0 BCADHN CN(C)c1nc(CNC(=O)C(C)(C)N)cs1 ZINC000237063868 488101799 /nfs/dbraw/zinc/10/17/99/488101799.db2.gz QDZIUYGIKOQRBE-UHFFFAOYSA-N 0 3 242.348 0.563 20 0 BCADHN CC[C@H](C(N)=O)N1CC[C@H](OC)C(C)(C)C1 ZINC000451548349 488103259 /nfs/dbraw/zinc/10/32/59/488103259.db2.gz FEJAMLUSOJWTKS-ZJUUUORDSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@@H](C(N)=O)N1CC[C@@H](OC)C(C)(C)C1 ZINC000451548348 488103332 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/nfs/dbraw/zinc/15/14/90/488151490.db2.gz CXMKBANZLYQVHM-SNVBAGLBSA-N 0 3 236.319 0.834 20 0 BCADHN C[C@H](Cn1cncn1)N[C@H]1CCCn2nccc21 ZINC000657860186 488152843 /nfs/dbraw/zinc/15/28/43/488152843.db2.gz XMOUYMRVWOUBGK-MNOVXSKESA-N 0 3 246.318 0.988 20 0 BCADHN C[C@@H](OCC1CC1)C(=O)N1CCCNCC1 ZINC000237403710 488154732 /nfs/dbraw/zinc/15/47/32/488154732.db2.gz HHXSHBJZGVSZRQ-SNVBAGLBSA-N 0 3 226.320 0.623 20 0 BCADHN CCC[C@@H](N)c1cn(CC(C)(CO)CO)nn1 ZINC000379922972 488158907 /nfs/dbraw/zinc/15/89/07/488158907.db2.gz RHKBKPKXIRECQW-SECBINFHSA-N 0 3 242.323 0.069 20 0 BCADHN CCCN(C)CC(=O)N(CCCO)C1CC1 ZINC000677936155 488161064 /nfs/dbraw/zinc/16/10/64/488161064.db2.gz NPJAJNHILKMDPQ-UHFFFAOYSA-N 0 3 228.336 0.702 20 0 BCADHN CCC[C@](C)(N)C(=O)NCc1cn(CC)nn1 ZINC000404459904 488163286 /nfs/dbraw/zinc/16/32/86/488163286.db2.gz NLFIQAZARTVUNV-NSHDSACASA-N 0 3 239.323 0.432 20 0 BCADHN Cc1nccn1CCN1CCNC(=O)C[C@H]1C ZINC000677989134 488169230 /nfs/dbraw/zinc/16/92/30/488169230.db2.gz ZOLKZWARMOCPBW-SNVBAGLBSA-N 0 3 236.319 0.402 20 0 BCADHN CC(C)O[C@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000404627950 488172388 /nfs/dbraw/zinc/17/23/88/488172388.db2.gz FBXIQYLHFWPFGI-QWHCGFSZSA-N 0 3 242.363 0.864 20 0 BCADHN N[C@H](C(=O)N1CCCc2n[nH]cc2C1)C1CCC1 ZINC000404627429 488172453 /nfs/dbraw/zinc/17/24/53/488172453.db2.gz SKSLFCYWLWPUAC-LBPRGKRZSA-N 0 3 248.330 0.812 20 0 BCADHN C[C@H](N)C(=O)N1CCCC(F)(F)CC1 ZINC000606279612 488177512 /nfs/dbraw/zinc/17/75/12/488177512.db2.gz UNSZULVFBAUHQF-ZETCQYMHSA-N 0 3 206.236 0.981 20 0 BCADHN NC(=O)CC1(NCc2cnc3n2CCC3)CCC1 ZINC000668002583 488181820 /nfs/dbraw/zinc/18/18/20/488181820.db2.gz WIPSGKBUNQKILS-UHFFFAOYSA-N 0 3 248.330 0.717 20 0 BCADHN C[C@H](CO)CN1CCN(C(C)(C)CO)CC1 ZINC000678047081 488184868 /nfs/dbraw/zinc/18/48/68/488184868.db2.gz YJCGALMIDATRBM-NSHDSACASA-N 0 3 230.352 0.003 20 0 BCADHN COC[C@@H](OC)C(=O)N1CCC[C@@H]1CN(C)C ZINC000668013059 488186243 /nfs/dbraw/zinc/18/62/43/488186243.db2.gz PTKBQEZSNHCGLD-GHMZBOCLSA-N 0 3 244.335 0.200 20 0 BCADHN Cn1cncc1C(=O)N[C@H](CN)C(F)(F)F ZINC000401723691 488187382 /nfs/dbraw/zinc/18/73/82/488187382.db2.gz OXFAOXDTQXZHLL-ZCFIWIBFSA-N 0 3 236.197 0.040 20 0 BCADHN Cc1cnc([C@@H](C)N2C[C@H](O)[C@@H](N(C)C)C2)o1 ZINC000519759462 488188509 /nfs/dbraw/zinc/18/85/09/488188509.db2.gz NNDROTAVTKGXPY-VWYCJHECSA-N 0 3 239.319 0.651 20 0 BCADHN C[C@H](CNC(=O)c1nccs1)N(C)C ZINC000683536388 488189615 /nfs/dbraw/zinc/18/96/15/488189615.db2.gz FYEUBWMJTKCJAL-SSDOTTSWSA-N 0 3 213.306 0.823 20 0 BCADHN Cc1cc(C(=O)NC2CCN(C)CC2)c(C)nn1 ZINC000678058212 488189149 /nfs/dbraw/zinc/18/91/49/488189149.db2.gz IEVCBFRDNUDJQF-UHFFFAOYSA-N 0 3 248.330 0.917 20 0 BCADHN C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CNCCO1 ZINC000085619355 488190763 /nfs/dbraw/zinc/19/07/63/488190763.db2.gz YMTKJOZDGFNUQP-GXSJLCMTSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CNCCO1 ZINC000085619360 488191206 /nfs/dbraw/zinc/19/12/06/488191206.db2.gz YMTKJOZDGFNUQP-MWLCHTKSSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1cc(NC(=O)C[C@@H]2CNCCO2)n[nH]1 ZINC000085620210 488191224 /nfs/dbraw/zinc/19/12/24/488191224.db2.gz QXJBGWJSAIMOIZ-MRVPVSSYSA-N 0 3 224.264 0.035 20 0 BCADHN C[C@H]1C[C@@H](O)CN1Cc1cnn2c1CCC2 ZINC000668044952 488194389 /nfs/dbraw/zinc/19/43/89/488194389.db2.gz CUDAUHDSHLJIRB-GXSJLCMTSA-N 0 3 221.304 0.784 20 0 BCADHN CO[C@@H]1CN(C[C@H]2CNCCO2)CC[C@H]1C ZINC000299918891 488194930 /nfs/dbraw/zinc/19/49/30/488194930.db2.gz VSYDJBUWLJPTHA-IJLUTSLNSA-N 0 3 228.336 0.332 20 0 BCADHN CC[C@H](CN1CCCC1)NC(=O)N(C)CCO ZINC000678114141 488198818 /nfs/dbraw/zinc/19/88/18/488198818.db2.gz VNVKNBWEKURWIK-LLVKDONJSA-N 0 3 243.351 0.495 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)C1CC1 ZINC000668096045 488201627 /nfs/dbraw/zinc/20/16/27/488201627.db2.gz XEQWNSBLLHZVMD-OHBODLIOSA-N 0 3 238.331 0.478 20 0 BCADHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cn[nH]c1 ZINC000678145961 488207559 /nfs/dbraw/zinc/20/75/59/488207559.db2.gz QNCHPLWOHQKOCB-WPRPVWTQSA-N 0 3 222.292 0.496 20 0 BCADHN c1ccc2c(c1)CN(C[C@H]1CNCCO1)C2 ZINC000050912679 488210045 /nfs/dbraw/zinc/21/00/45/488210045.db2.gz CYKPAWKDDWFCTH-CYBMUJFWSA-N 0 3 218.300 0.991 20 0 BCADHN C=Cn1cc(CN[C@H]2CCC[C@@H]2C(=O)NC)cn1 ZINC000683704639 488210860 /nfs/dbraw/zinc/21/08/60/488210860.db2.gz CPRDASPPFHUSLH-RYUDHWBXSA-N 0 3 248.330 0.988 20 0 BCADHN CN(C)CCN(C)Cc1cc2n(n1)CCC2 ZINC000668156285 488211011 /nfs/dbraw/zinc/21/10/11/488211011.db2.gz LOCYBANPKPLXKU-UHFFFAOYSA-N 0 3 222.336 0.823 20 0 BCADHN C[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC000678171750 488211801 /nfs/dbraw/zinc/21/18/01/488211801.db2.gz KNNRGROJKZRHNT-KOLCDFICSA-N 0 3 222.288 0.198 20 0 BCADHN CN(C)CC(C)(C)NCc1csnn1 ZINC000308613842 488212626 /nfs/dbraw/zinc/21/26/26/488212626.db2.gz IWQGXMQXCNJXEK-UHFFFAOYSA-N 0 3 214.338 0.968 20 0 BCADHN N[C@H](C(=O)NCCCCO)C1CCC1 ZINC000399228106 488227578 /nfs/dbraw/zinc/22/75/78/488227578.db2.gz OEBVJELTHCDGLG-VIFPVBQESA-N 0 3 200.282 0.003 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCN(CC2(C)CC2)C1 ZINC000683831634 488229655 /nfs/dbraw/zinc/22/96/55/488229655.db2.gz FIEIVPXGEVJTOR-SECBINFHSA-N 0 3 232.349 0.410 20 0 BCADHN COc1cc(CNC(C)(C)CC(N)=O)sn1 ZINC000399141544 488227500 /nfs/dbraw/zinc/22/75/00/488227500.db2.gz UPKUCCADPMDULG-UHFFFAOYSA-N 0 3 243.332 0.895 20 0 BCADHN CN(C)C[C@H]1CCCCN1C(=O)[C@@H](O)C1CC1 ZINC000668212733 488227729 /nfs/dbraw/zinc/22/77/29/488227729.db2.gz KZHSSRLXLAYBGK-NEPJUHHUSA-N 0 3 240.347 0.700 20 0 BCADHN CCN1CCN(Cc2ccnn2C)C[C@H]1C ZINC000678261556 488228557 /nfs/dbraw/zinc/22/85/57/488228557.db2.gz NOGILZVLMMOGNN-LLVKDONJSA-N 0 3 222.336 0.946 20 0 BCADHN CNC(=O)[C@H]1CCCN(Cc2cn[nH]c2)C1 ZINC000678263946 488229564 /nfs/dbraw/zinc/22/95/64/488229564.db2.gz IEWSUPAHLWDBIN-JTQLQIEISA-N 0 3 222.292 0.368 20 0 BCADHN Cc1cn(C)nc1NC(=O)NC[C@@H](C)N(C)C ZINC000668220671 488230048 /nfs/dbraw/zinc/23/00/48/488230048.db2.gz ZBXUMPUGWKZWAS-SECBINFHSA-N 0 3 239.323 0.800 20 0 BCADHN CS(=O)(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000678271440 488232943 /nfs/dbraw/zinc/23/29/43/488232943.db2.gz RFZJCFGZEZOGGL-JTQLQIEISA-N 0 3 246.376 0.943 20 0 BCADHN NC(=O)C[C@H]1CCCN(Cc2cn[nH]c2)C1 ZINC000678285799 488237670 /nfs/dbraw/zinc/23/76/70/488237670.db2.gz GUZAPHJKROBXBO-SECBINFHSA-N 0 3 222.292 0.497 20 0 BCADHN Cc1ccsc1CN1C[C@H](O)C[C@H](O)C1 ZINC000678298430 488238901 /nfs/dbraw/zinc/23/89/01/488238901.db2.gz SQLHWOOKMOMXSS-AOOOYVTPSA-N 0 3 227.329 0.984 20 0 BCADHN CCN(CC)CC(=O)N1CCC2(CN(C)C2)C1 ZINC000683909133 488243063 /nfs/dbraw/zinc/24/30/63/488243063.db2.gz MXWNYNOMZWOTCV-UHFFFAOYSA-N 0 3 239.363 0.492 20 0 BCADHN O=C1C[C@@H](NC2CCCC2)C(=O)N1C1CC1 ZINC000036850889 488245576 /nfs/dbraw/zinc/24/55/76/488245576.db2.gz WNLWVURRDASQIE-SNVBAGLBSA-N 0 3 222.288 0.809 20 0 BCADHN C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000678360803 488246737 /nfs/dbraw/zinc/24/67/37/488246737.db2.gz JOCXKFGTRNOJBK-DCAQKATOSA-N 0 3 226.320 0.622 20 0 BCADHN Cc1nn(C)cc1CNC[C@@H]1CCCC(=O)N1 ZINC000683934177 488247322 /nfs/dbraw/zinc/24/73/22/488247322.db2.gz XQBJIQDQNSTTCE-NSHDSACASA-N 0 3 236.319 0.487 20 0 BCADHN C[C@H]1[C@H](C)N(c2ncnc3n[nH]cc32)CCN1C ZINC000678408743 488252332 /nfs/dbraw/zinc/25/23/32/488252332.db2.gz RVJLPKZBLKFZRS-IUCAKERBSA-N 0 3 246.318 0.882 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)CCCn1ccnc1 ZINC000672516833 488258108 /nfs/dbraw/zinc/25/81/08/488258108.db2.gz VSPDFOLTWPLSST-NSHDSACASA-N 0 3 238.335 0.730 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)CCCCO)CN1C1CC1 ZINC000678478054 488259317 /nfs/dbraw/zinc/25/93/17/488259317.db2.gz RLXRBMYUNNOIRL-GHMZBOCLSA-N 0 3 240.347 0.890 20 0 BCADHN C[C@@H](CO)CN(C)C1(C(N)=O)CCCC1 ZINC000678525786 488264436 /nfs/dbraw/zinc/26/44/36/488264436.db2.gz RDNNWXRDTIGWCZ-SECBINFHSA-N 0 3 214.309 0.345 20 0 BCADHN C[C@@H](CF)NC(=O)NC1CCN(CCO)CC1 ZINC000672852663 488268170 /nfs/dbraw/zinc/26/81/70/488268170.db2.gz GTJMYPJFCFDEIZ-VIFPVBQESA-N 0 3 247.314 0.100 20 0 BCADHN COCC[C@H](C)N1CCN([C@H]2CCOC2)CC1 ZINC000678625706 488273485 /nfs/dbraw/zinc/27/34/85/488273485.db2.gz BQWBCWDYHLMXTR-STQMWFEESA-N 0 3 242.363 0.818 20 0 BCADHN c1cc2n(n1)C[C@@H](CN1CCCOCC1)CN2 ZINC000684195369 488274152 /nfs/dbraw/zinc/27/41/52/488274152.db2.gz NUCIAAQKAQJCFZ-LLVKDONJSA-N 0 3 236.319 0.647 20 0 BCADHN CN1CCC[C@H](N2CC[C@@]3(CCOC3)C2)C1=O ZINC000679318130 488334853 /nfs/dbraw/zinc/33/48/53/488334853.db2.gz BQIYNYUNRIKSSZ-WCQYABFASA-N 0 3 238.331 0.720 20 0 BCADHN CC[C@@H]1CN(C[C@H](C)CO)C[C@]2(CCOC2)O1 ZINC000684626039 488335135 /nfs/dbraw/zinc/33/51/35/488335135.db2.gz HLRWCSQDZBGHNG-XQQFMLRXSA-N 0 3 243.347 0.885 20 0 BCADHN CN(C)C1CN(c2ncnc3c2ncn3C)C1 ZINC000678823342 488287683 /nfs/dbraw/zinc/28/76/83/488287683.db2.gz QAMFHTWINVCCDX-UHFFFAOYSA-N 0 3 232.291 0.114 20 0 BCADHN CCC[C@H](O)CC(=O)NCC1=CCN(C)CC1 ZINC000678883314 488293512 /nfs/dbraw/zinc/29/35/12/488293512.db2.gz UGNZZOQZBWWDAN-LBPRGKRZSA-N 0 3 240.347 0.916 20 0 BCADHN CC[C@@H](C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000673531081 488294156 /nfs/dbraw/zinc/29/41/56/488294156.db2.gz MHSXZVBBDPXQEG-GHMZBOCLSA-N 0 3 228.336 0.605 20 0 BCADHN CC1(C(=O)N[C@@H](CO)CN2CCCC2)CCC1 ZINC000673529662 488294382 /nfs/dbraw/zinc/29/43/82/488294382.db2.gz ANZVEQLWVMUKFM-LLVKDONJSA-N 0 3 240.347 0.750 20 0 BCADHN CN(C)C[C@@H](CO)NC(=O)CCC1CCCC1 ZINC000673524292 488294493 /nfs/dbraw/zinc/29/44/93/488294493.db2.gz RABDCMADQYMKKX-LBPRGKRZSA-N 0 3 242.363 0.996 20 0 BCADHN O=C(N[C@H](CO)CN1CCCC1)c1ccc[nH]1 ZINC000673533883 488295045 /nfs/dbraw/zinc/29/50/45/488295045.db2.gz WQKPPABBOWOADC-JTQLQIEISA-N 0 3 237.303 0.201 20 0 BCADHN Cn1cnc(CNCCCc2cnn(C)c2)c1 ZINC000673601015 488296389 /nfs/dbraw/zinc/29/63/89/488296389.db2.gz KDDASRNHIPITLQ-UHFFFAOYSA-N 0 3 233.319 0.876 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CC([C@@H]2CCOC2)C1 ZINC000684348449 488297877 /nfs/dbraw/zinc/29/78/77/488297877.db2.gz NNPIZPHEGVSVPI-ZYHUDNBSSA-N 0 3 238.331 0.576 20 0 BCADHN CNC(=O)C[C@@H](C)N[C@@H](CC(C)C)C(=O)NC ZINC000679086185 488307233 /nfs/dbraw/zinc/30/72/33/488307233.db2.gz BOZLMAHKQZTOBW-ZJUUUORDSA-N 0 3 243.351 0.261 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CCCN(C)C2)cc(=O)[nH]1 ZINC000679101088 488308696 /nfs/dbraw/zinc/30/86/96/488308696.db2.gz CVQCAEYVFCXZTK-NSHDSACASA-N 0 3 249.314 0.920 20 0 BCADHN CN1CCC[C@H](NC(=O)NCC2(CO)CC2)C1 ZINC000673876543 488310821 /nfs/dbraw/zinc/31/08/21/488310821.db2.gz QCLGXJAWZKRTOF-JTQLQIEISA-N 0 3 241.335 0.152 20 0 BCADHN COC[C@@H](CO)NCc1n[nH]c2ccccc12 ZINC000684424885 488311488 /nfs/dbraw/zinc/31/14/88/488311488.db2.gz GYUXPMSLKLLVCY-SECBINFHSA-N 0 3 235.287 0.660 20 0 BCADHN COC[C@@H](CO)NCc1[nH]nc2ccccc21 ZINC000684424885 488311490 /nfs/dbraw/zinc/31/14/90/488311490.db2.gz GYUXPMSLKLLVCY-SECBINFHSA-N 0 3 235.287 0.660 20 0 BCADHN CCOCCN1CCN(C(C)(C)CO)CC1 ZINC000673894430 488311725 /nfs/dbraw/zinc/31/17/25/488311725.db2.gz DOPMJXQAESEYIW-UHFFFAOYSA-N 0 3 230.352 0.411 20 0 BCADHN CN(C)C[C@](C)(O)CNC(=O)CCC(F)F ZINC000684467172 488317211 /nfs/dbraw/zinc/31/72/11/488317211.db2.gz DWYUEUBZCKLQFU-SNVBAGLBSA-N 0 3 238.278 0.461 20 0 BCADHN C[C@H](O)CN1CCN(c2ccncc2)CC1 ZINC000684572142 488328427 /nfs/dbraw/zinc/32/84/27/488328427.db2.gz FMXNYHBJTZMPIE-NSHDSACASA-N 0 3 221.304 0.584 20 0 BCADHN COC[C@H](C)OC[C@H](O)CN1CC(C(C)C)C1 ZINC000684606704 488331381 /nfs/dbraw/zinc/33/13/81/488331381.db2.gz AIZREQLIWJGXFE-WCQYABFASA-N 0 3 245.363 0.987 20 0 BCADHN CCOC[C@H](O)CN1CC([C@@H]2CCOC2)C1 ZINC000684607941 488331580 /nfs/dbraw/zinc/33/15/80/488331580.db2.gz PUXRJBSHHAVKQV-ZYHUDNBSSA-N 0 3 229.320 0.352 20 0 BCADHN CC1(C)CN(Cc2c[nH]cn2)CCN1CCO ZINC000684620144 488334250 /nfs/dbraw/zinc/33/42/50/488334250.db2.gz JCDPSAXTXIYSOO-UHFFFAOYSA-N 0 3 238.335 0.298 20 0 BCADHN CC1(C)CN(Cc2cnc[nH]2)CCN1CCO ZINC000684620144 488334252 /nfs/dbraw/zinc/33/42/52/488334252.db2.gz JCDPSAXTXIYSOO-UHFFFAOYSA-N 0 3 238.335 0.298 20 0 BCADHN CC[C@H]1CN(C)CCCN1C(=O)[C@H]1CCOC1 ZINC000684823551 488346613 /nfs/dbraw/zinc/34/66/13/488346613.db2.gz GRMCJWXFJJNTTI-RYUDHWBXSA-N 0 3 240.347 0.966 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490273650 /nfs/dbraw/zinc/27/36/50/490273650.db2.gz RESGLSQZJKPHSZ-LURJTMIESA-N 0 3 218.278 0.214 20 0 BCADHN C[C@H](NC1CC1)C(=O)NCCCC(=O)N(C)C ZINC000390131937 490276740 /nfs/dbraw/zinc/27/67/40/490276740.db2.gz CAVQYYZMEUZZEL-VIFPVBQESA-N 0 3 241.335 0.112 20 0 BCADHN CC[C@H](C)[C@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000668508486 490342641 /nfs/dbraw/zinc/34/26/41/490342641.db2.gz MDUBUOYVROCJDQ-NAKRPEOUSA-N 0 3 249.376 0.823 20 0 BCADHN CC[C@@H](N)c1cn(Cc2ccn(C)n2)nn1 ZINC000229938462 490367706 /nfs/dbraw/zinc/36/77/06/490367706.db2.gz IOLBXJRKRZCKMA-SECBINFHSA-N 0 3 220.280 0.470 20 0 BCADHN CC[C@@H](N)c1cn(CC(=O)N2CCCC2)nn1 ZINC000229942866 490368839 /nfs/dbraw/zinc/36/88/39/490368839.db2.gz BWIFURIBEKVJHP-SECBINFHSA-N 0 3 237.307 0.310 20 0 BCADHN CC[C@@H](N)c1cn(CCn2ccccc2=O)nn1 ZINC000229941663 490368746 /nfs/dbraw/zinc/36/87/46/490368746.db2.gz IGOVFSPLZQCZML-SNVBAGLBSA-N 0 3 247.302 0.550 20 0 BCADHN CN(CCOC[C@@H]1CCCO1)C[C@H](O)C1CC1 ZINC000304787256 490386131 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COCC[C@H](C)N1CCN(CCO)CC1 ZINC000088484062 491102931 /nfs/dbraw/zinc/10/29/31/491102931.db2.gz GVHVLHQUIPQTFY-NSHDSACASA-N 0 3 216.325 0.021 20 0 BCADHN C[C@]1(CNC(=O)C2(N)CC2)CC1(F)F ZINC000659363005 491104667 /nfs/dbraw/zinc/10/46/67/491104667.db2.gz ZAPTYCNKSLTQJW-SSDOTTSWSA-N 0 3 204.220 0.639 20 0 BCADHN COCC[C@H](C)N1CCCN(C(N)=O)CC1 ZINC000088594179 491106678 /nfs/dbraw/zinc/10/66/78/491106678.db2.gz IAYXNZQEHRHNIC-JTQLQIEISA-N 0 3 229.324 0.498 20 0 BCADHN COCCOCCN(C)C[C@H](O)C1CC1 ZINC000079767843 491111144 /nfs/dbraw/zinc/11/11/44/491111144.db2.gz BQUMNZVUFKITTJ-NSHDSACASA-N 0 3 217.309 0.352 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1CCN1C[C@@H](C)O[C@H](C)C1 ZINC000314384453 491118209 /nfs/dbraw/zinc/11/82/09/491118209.db2.gz OUEKKIIBCBZGHD-FDYHWXHSSA-N 0 3 242.363 0.551 20 0 BCADHN CC[C@H](N)c1cn(Cc2nc(C3CC3)no2)nn1 ZINC000229933264 491121259 /nfs/dbraw/zinc/12/12/59/491121259.db2.gz XTCCGPRIQHMRNN-QMMMGPOBSA-N 0 3 248.290 0.997 20 0 BCADHN CCC[C@H](N)c1cn(-c2cnn(C)c2)nn1 ZINC000229930406 491121291 /nfs/dbraw/zinc/12/12/91/491121291.db2.gz NXAQMKYZFFUDQD-VIFPVBQESA-N 0 3 220.280 0.801 20 0 BCADHN CC[C@H](N)c1cn([C@@H](C)C(=O)NC2CC2)nn1 ZINC000229939604 491121422 /nfs/dbraw/zinc/12/14/22/491121422.db2.gz CFWJPMXGXCJYRA-CBAPKCEASA-N 0 3 237.307 0.528 20 0 BCADHN CC[C@H](N)c1cn([C@H]2CCC[C@@H]2O)nn1 ZINC000229938896 491121428 /nfs/dbraw/zinc/12/14/28/491121428.db2.gz IGNOVTVAAHRLHD-HGNGGELXSA-N 0 3 210.281 0.774 20 0 BCADHN CC(C)(C)n1cc(CNC[C@](C)(O)CO)cn1 ZINC000090285697 491124287 /nfs/dbraw/zinc/12/42/87/491124287.db2.gz FCJFUCDOVUNKMB-LBPRGKRZSA-N 0 3 241.335 0.471 20 0 BCADHN CCn1cnnc1CCNCc1c[nH]nc1C ZINC000605440171 491124564 /nfs/dbraw/zinc/12/45/64/491124564.db2.gz WSVCEUQTRIYVJJ-UHFFFAOYSA-N 0 3 234.307 0.662 20 0 BCADHN CN(Cc1cn2cccnc2n1)CC1CN(C)C1 ZINC000668538646 491127322 /nfs/dbraw/zinc/12/73/22/491127322.db2.gz FYJZNOVKCKXOCX-UHFFFAOYSA-N 0 3 245.330 0.723 20 0 BCADHN C[C@H](CO)CCCNCc1cncnc1 ZINC000230159048 491127876 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BCADHN CC[C@H](C)[C@H](N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000226321240 535952820 /nfs/dbraw/zinc/95/28/20/535952820.db2.gz YCEJMDKFQHSMNM-XVMARJQXSA-N 0 3 242.241 0.399 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)OC ZINC000223704613 535952980 /nfs/dbraw/zinc/95/29/80/535952980.db2.gz UDHKUONZQFGYHK-YIZRAAEISA-N 0 3 202.298 0.511 20 0 BCADHN CN(C(=O)C1(N)CCCC1)c1ccn(C)n1 ZINC000335375765 535961232 /nfs/dbraw/zinc/96/12/32/535961232.db2.gz NSBAATVKNWQDGA-UHFFFAOYSA-N 0 3 222.292 0.654 20 0 BCADHN CN(C(=O)N1CCCNCC1)C1CCOCC1 ZINC000335347392 536017263 /nfs/dbraw/zinc/01/72/63/536017263.db2.gz ZFBAPYKWPWKKAN-UHFFFAOYSA-N 0 3 241.335 0.513 20 0 BCADHN CC[C@H](OC)C(=O)NC[C@H]1CCCN1C ZINC000347729995 536021533 /nfs/dbraw/zinc/02/15/33/536021533.db2.gz ACSRNFSBWDXBCX-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CC[C@@]1(C)CCN(CC(=O)NC(N)=O)C1 ZINC000336049456 536048701 /nfs/dbraw/zinc/04/87/01/536048701.db2.gz KBMXSCHPPJFRGS-JTQLQIEISA-N 0 3 213.281 0.303 20 0 BCADHN CC[C@@]1(C)CCN([C@H](C)C(=O)NC(=O)NC)C1 ZINC000336048861 536051710 /nfs/dbraw/zinc/05/17/10/536051710.db2.gz BGOHWVQQRWJLIG-SKDRFNHKSA-N 0 3 241.335 0.953 20 0 BCADHN CN(C(=O)C(N)C(F)(F)F)[C@@H]1CCSC1 ZINC000261560071 536057930 /nfs/dbraw/zinc/05/79/30/536057930.db2.gz ZMHSUPLEOTUWQD-PHDIDXHHSA-N 0 3 242.266 0.840 20 0 BCADHN CN(C(=O)[C@H]1CCCO1)[C@H]1CCCN(C)C1 ZINC000247486248 536064368 /nfs/dbraw/zinc/06/43/68/536064368.db2.gz TYHVQEOWSADLKL-WDEREUQCSA-N 0 3 226.320 0.718 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](O)C(C)(C)C1)N(C)C ZINC000336046022 536090018 /nfs/dbraw/zinc/09/00/18/536090018.db2.gz MMAJQTCZHGTCNI-NXEZZACHSA-N 0 3 228.336 0.556 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)N(C)C ZINC000178341337 536092459 /nfs/dbraw/zinc/09/24/59/536092459.db2.gz MTCCYUORZISPMI-DBIOUOCHSA-N 0 3 226.320 0.763 20 0 BCADHN CC[C@H](N)C(=O)N1CCN(C)c2ncccc21 ZINC000269258932 536140390 /nfs/dbraw/zinc/14/03/90/536140390.db2.gz LMNHHBOBJHRBKP-VIFPVBQESA-N 0 3 234.303 0.602 20 0 BCADHN CCc1cc(N2CCN[C@H](C)C2)ncn1 ZINC000052783546 536145951 /nfs/dbraw/zinc/14/59/51/536145951.db2.gz VYZBECNSDMANFA-SECBINFHSA-N 0 3 206.293 0.837 20 0 BCADHN CC[C@H]1[C@@H](C)CCN1CCNS(C)(=O)=O ZINC000185589889 536180906 /nfs/dbraw/zinc/18/09/06/536180906.db2.gz DMUFNJJXXHPISA-UWVGGRQHSA-N 0 3 234.365 0.656 20 0 BCADHN COC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000261570729 536305791 /nfs/dbraw/zinc/30/57/91/536305791.db2.gz HDVCEYZNZCGDEH-BDAKNGLRSA-N 0 3 228.292 0.196 20 0 BCADHN CN1C(=O)CC[C@H](N[C@@H]2CCCSC2)C1=O ZINC000084406327 536309952 /nfs/dbraw/zinc/30/99/52/536309952.db2.gz AOIZNVAJNPIPKE-BDAKNGLRSA-N 0 3 242.344 0.619 20 0 BCADHN CNC(=O)NC(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000177527083 536323825 /nfs/dbraw/zinc/32/38/25/536323825.db2.gz BKTXZSLYDVOVSL-AOOOYVTPSA-N 0 3 239.319 0.564 20 0 BCADHN COC(=O)C[C@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000261570731 536337501 /nfs/dbraw/zinc/33/75/01/536337501.db2.gz HDVCEYZNZCGDEH-IUCAKERBSA-N 0 3 228.292 0.196 20 0 BCADHN 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ZFHZIHNPTUHRFG-UHFFFAOYSA-N 0 3 241.291 0.850 20 0 BCADHN Cc1[nH]ccc1C(=O)NOCCN(C)C ZINC000854945080 588817856 /nfs/dbraw/zinc/81/78/56/588817856.db2.gz ACJJVKVXUPYRNK-UHFFFAOYSA-N 0 3 211.265 0.546 20 0 BCADHN CN(C)CCONC(=O)[C@H]1C[C@@]12CCOC2 ZINC000854945184 588818031 /nfs/dbraw/zinc/81/80/31/588818031.db2.gz DLZOOWXPYZQIGK-MWLCHTKSSA-N 0 3 228.292 0.022 20 0 BCADHN CN(C)CCONC(=O)/C=C/C1CCOCC1 ZINC000854945118 588818107 /nfs/dbraw/zinc/81/81/07/588818107.db2.gz BMHPPCHLWYJYGY-ONEGZZNKSA-N 0 3 242.319 0.579 20 0 BCADHN Cc1ocnc1C(=O)NOCCN(C)C ZINC000854947335 588818192 /nfs/dbraw/zinc/81/81/92/588818192.db2.gz RFXHRXWBHODJKY-UHFFFAOYSA-N 0 3 213.237 0.206 20 0 BCADHN CN(C)CCONC(=O)c1n[nH]c2c1CCC2 ZINC000854947500 588818328 /nfs/dbraw/zinc/81/83/28/588818328.db2.gz ZEUKKENIMMUPNF-UHFFFAOYSA-N 0 3 238.291 0.121 20 0 BCADHN CN(C)CCONC(=O)c1cnn2c1CCC2 ZINC000854947134 588818427 /nfs/dbraw/zinc/81/84/27/588818427.db2.gz HIXUDBWVHXHCKN-UHFFFAOYSA-N 0 3 238.291 0.052 20 0 BCADHN CC1=NO[C@@H](C(=O)NCC2(N(C)C)CC2)C1 ZINC000854955301 588818786 /nfs/dbraw/zinc/81/87/86/588818786.db2.gz UNIRAVXBXCVSTQ-SECBINFHSA-N 0 3 225.292 0.362 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)Cc1ncc[nH]1 ZINC000854967830 588819288 /nfs/dbraw/zinc/81/92/88/588819288.db2.gz KXOQDWVTKYWSHM-SNVBAGLBSA-N 0 3 236.319 0.505 20 0 BCADHN CC[C@@H](CO)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000855165490 588824705 /nfs/dbraw/zinc/82/47/05/588824705.db2.gz WLZXSCOQYQLWCQ-QWRGUYRKSA-N 0 3 242.363 0.994 20 0 BCADHN CC[C@H](CO)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000855165489 588824936 /nfs/dbraw/zinc/82/49/36/588824936.db2.gz WLZXSCOQYQLWCQ-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN CN1C[C@H](Nc2ccnc(CO)c2)CCC1=O ZINC000858418115 582460528 /nfs/dbraw/zinc/46/05/28/582460528.db2.gz MSWQBEVSIAMNSV-SNVBAGLBSA-N 0 3 235.287 0.607 20 0 BCADHN C[C@@H](NC(=O)[C@H]1NCC1(C)C)c1ccnn1C ZINC000868026676 582460817 /nfs/dbraw/zinc/46/08/17/582460817.db2.gz PHIGWXPWLINHHV-PSASIEDQSA-N 0 3 236.319 0.595 20 0 BCADHN O=C1CCCN1CN1CCN(CC2CC2)CC1 ZINC000113241475 588828232 /nfs/dbraw/zinc/82/82/32/588828232.db2.gz SCSKAXJHPZEUIO-UHFFFAOYSA-N 0 3 237.347 0.594 20 0 BCADHN CCN(C(=O)c1[nH]nnc1C)[C@@H]1CCN(C)C1 ZINC000855361451 588828762 /nfs/dbraw/zinc/82/87/62/588828762.db2.gz VIZKBIUDYHRALK-SECBINFHSA-N 0 3 237.307 0.279 20 0 BCADHN CCN(C(=O)C[C@H](C)OC)[C@H]1CCN(C)C1 ZINC000855364200 588828948 /nfs/dbraw/zinc/82/89/48/588828948.db2.gz ZCDCTRPWIJVKJR-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CCN(C(=O)c1ccnnc1)[C@H]1CCN(C)C1 ZINC000855360158 588829251 /nfs/dbraw/zinc/82/92/51/588829251.db2.gz HYLRCFZNMLJFOR-NSHDSACASA-N 0 3 234.303 0.643 20 0 BCADHN CCN(C(=O)C[C@@H](C)OC)[C@H]1CCN(C)C1 ZINC000855364199 588829276 /nfs/dbraw/zinc/82/92/76/588829276.db2.gz ZCDCTRPWIJVKJR-MNOVXSKESA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@@H](CO)C(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000855359916 588829289 /nfs/dbraw/zinc/82/92/89/588829289.db2.gz FMQYJYDJFSUUMA-WDEREUQCSA-N 0 3 228.336 0.558 20 0 BCADHN CCN(C(=O)CC1(O)CCC1)[C@H]1CCN(C)C1 ZINC000855364203 588829309 /nfs/dbraw/zinc/82/93/09/588829309.db2.gz ZCKCMDFHNRJXNT-NSHDSACASA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@H](C(=O)N1CC[C@H](O)[C@H](F)C1)N(C)C ZINC000890682107 582502474 /nfs/dbraw/zinc/50/24/74/582502474.db2.gz PAJADMXADOXYBY-BBBLOLIVSA-N 0 3 232.299 0.258 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC000890702839 582509643 /nfs/dbraw/zinc/50/96/43/582509643.db2.gz SANDXBPNODQMSP-VHSXEESVSA-N 0 3 232.299 0.258 20 0 BCADHN CCCN(C)CC(=O)NCC[C@H](O)C1CC1 ZINC000890726103 582517935 /nfs/dbraw/zinc/51/79/35/582517935.db2.gz PVQBKSKFPCBXJG-NSHDSACASA-N 0 3 228.336 0.605 20 0 BCADHN CC(C(=O)N[C@@H]1C=CCC1)S(C)(=O)=O ZINC000855422774 588832869 /nfs/dbraw/zinc/83/28/69/588832869.db2.gz XRHKZMBEUZGZCJ-JGVFFNPUSA-N 0 3 217.290 0.254 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC000891069870 582606983 /nfs/dbraw/zinc/60/69/83/582606983.db2.gz OSYRDPQSZSZUNN-NWDGAFQWSA-N 0 3 240.347 0.868 20 0 BCADHN CC[C@@H](C(=O)N(CCF)CCOC)N(C)C ZINC000855593103 588840836 /nfs/dbraw/zinc/84/08/36/588840836.db2.gz HZRLNXOPBCCBED-JTQLQIEISA-N 0 3 234.315 0.771 20 0 BCADHN Cn1ccnc1[C@@H]1CCN(CC[S@@](C)=O)C1 ZINC000846838879 582667001 /nfs/dbraw/zinc/66/70/01/582667001.db2.gz QNUIIYGBNPVEMI-QLJPJBMISA-N 0 3 241.360 0.588 20 0 BCADHN O=C1NCC[C@@H]1CCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000847016048 582673722 /nfs/dbraw/zinc/67/37/22/582673722.db2.gz ZUOBPNVXRZYTFD-HLTSFMKQSA-N 0 3 230.258 0.710 20 0 BCADHN COCCNC(=O)NCCN1CCC(C)(C)C1 ZINC000891408119 582679702 /nfs/dbraw/zinc/67/97/02/582679702.db2.gz GBZXCJIHUZSGHQ-UHFFFAOYSA-N 0 3 243.351 0.664 20 0 BCADHN CC(=O)N1CCC(Nc2nc(C)cc(N)n2)CC1 ZINC000891587643 582699639 /nfs/dbraw/zinc/69/96/39/582699639.db2.gz WUQQZGOJVCBBBA-UHFFFAOYSA-N 0 3 249.318 0.790 20 0 BCADHN O[C@H]1CCN([C@@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000891639531 582704831 /nfs/dbraw/zinc/70/48/31/582704831.db2.gz HQTPHXDSVBABRC-HBNTYKKESA-N 0 3 245.294 0.687 20 0 BCADHN OCc1cnccc1NCC[C@H]1CCCO1 ZINC000891678776 582709485 /nfs/dbraw/zinc/70/94/85/582709485.db2.gz WGKGAGCZGZSHFM-LLVKDONJSA-N 0 3 222.288 0.977 20 0 BCADHN C[C@@H](Cn1cccn1)Nc1ccncc1CO ZINC000891793851 582722255 /nfs/dbraw/zinc/72/22/55/582722255.db2.gz MTZNWDPFSVWEOA-JTQLQIEISA-N 0 3 232.287 0.693 20 0 BCADHN CCO[C@H]1C[C@H](OC(=O)C2CCN(C)C2=O)C1 ZINC000847924232 582745611 /nfs/dbraw/zinc/74/56/11/582745611.db2.gz OCCMLYNMRXUMON-OPRDCNLKSA-N 0 3 241.287 0.575 20 0 BCADHN Cn1nc2c(c1CN1CC[C@@](C)(O)C1)CCC2 ZINC000892186038 582806824 /nfs/dbraw/zinc/80/68/24/582806824.db2.gz PJMTVBRWXIVLGE-CYBMUJFWSA-N 0 3 235.331 0.866 20 0 BCADHN CN(Cc1cccc(O)c1)C[C@H]1CNCCO1 ZINC000125513982 582825099 /nfs/dbraw/zinc/82/50/99/582825099.db2.gz PGNUSWNKHBMMEC-CYBMUJFWSA-N 0 3 236.315 0.812 20 0 BCADHN CC[C@@H](C(=O)N(C)C[C@@H](O)C1CC1)N(C)C ZINC000305117555 582825639 /nfs/dbraw/zinc/82/56/39/582825639.db2.gz INONSNGQKKFKBV-WDEREUQCSA-N 0 3 228.336 0.556 20 0 BCADHN Cn1cncc1CN[C@H](CO)CC1CC1 ZINC000393632115 582829726 /nfs/dbraw/zinc/82/97/26/582829726.db2.gz MVPZXTBQGXUYBA-JTQLQIEISA-N 0 3 209.293 0.671 20 0 BCADHN COC(=O)N(C)CCNC(=O)CN(C)C(C)C ZINC000855938861 588854815 /nfs/dbraw/zinc/85/48/15/588854815.db2.gz RKVIWNZJSAPQIW-UHFFFAOYSA-N 0 3 245.323 0.141 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]1CO ZINC000889136539 582836643 /nfs/dbraw/zinc/83/66/43/582836643.db2.gz KHFRJEKTBXLFOI-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN CN(C)Cc1cccc(C(=O)N2CC[C@H]2CO)c1 ZINC000889140252 582840946 /nfs/dbraw/zinc/84/09/46/582840946.db2.gz LZDUQURKWLETSH-ZDUSSCGKSA-N 0 3 248.326 0.955 20 0 BCADHN CC(C)[C@H](C(=O)N[C@@H]1CC12CC(O)C2)N(C)C ZINC000888961597 582864361 /nfs/dbraw/zinc/86/43/61/582864361.db2.gz ZZKDWTWXZJYLKJ-QRVCZOOMSA-N 0 3 240.347 0.602 20 0 BCADHN CCCN1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC000856072921 588859455 /nfs/dbraw/zinc/85/94/55/588859455.db2.gz FTKKYJMQEITJGZ-SECBINFHSA-N 0 3 237.307 0.029 20 0 BCADHN Cn1ncc(CNCCOCCO)c1C1CC1 ZINC000892431762 582886228 /nfs/dbraw/zinc/88/62/28/582886228.db2.gz DGMCYZCHEQPZLX-UHFFFAOYSA-N 0 3 239.319 0.396 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@H](C)COC)[C@H]1OC ZINC000892445068 582888560 /nfs/dbraw/zinc/88/85/60/582888560.db2.gz YQKSNGONJDQWRB-GWOFURMSSA-N 0 3 217.309 0.803 20 0 BCADHN CC[S@](=O)CCNc1ccncc1CO ZINC000892453366 582890151 /nfs/dbraw/zinc/89/01/51/582890151.db2.gz VTCZMTULOATJNP-HNNXBMFYSA-N 0 3 228.317 0.176 20 0 BCADHN CC[C@H](CO)N[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892479231 582895275 /nfs/dbraw/zinc/89/52/75/582895275.db2.gz ZONJHBWAERKTRY-VWYCJHECSA-N 0 3 247.310 0.981 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H](C)Cn1cccn1 ZINC000892553540 582911929 /nfs/dbraw/zinc/91/19/29/582911929.db2.gz OZOMYVHBDMXCBX-UWVGGRQHSA-N 0 3 225.292 0.813 20 0 BCADHN CC(=O)OC[C@@H](C)N[C@H](C)Cn1cccn1 ZINC000892553539 582911947 /nfs/dbraw/zinc/91/19/47/582911947.db2.gz OZOMYVHBDMXCBX-NXEZZACHSA-N 0 3 225.292 0.813 20 0 BCADHN Cc1cc(N)nc(NCC[S@](C)=O)n1 ZINC000892572944 582918113 /nfs/dbraw/zinc/91/81/13/582918113.db2.gz NUMOCZYKXLPFQA-AWEZNQCLSA-N 0 3 214.294 0.158 20 0 BCADHN Cc1cc(N)nc(N[C@H]2CCC(=O)N(C)C2)n1 ZINC000892618529 582931830 /nfs/dbraw/zinc/93/18/30/582931830.db2.gz LAWVOUMZXHTUTL-QMMMGPOBSA-N 0 3 235.291 0.400 20 0 BCADHN CCn1cc(CNC[C@@H]2COCCO2)c(C)n1 ZINC000892634467 582934660 /nfs/dbraw/zinc/93/46/60/582934660.db2.gz VXXAEZDKLIQNLZ-GFCCVEGCSA-N 0 3 239.319 0.716 20 0 BCADHN COC[C@](C)(CCO)NC[C@H]1COC(C)(C)O1 ZINC000851807496 582967520 /nfs/dbraw/zinc/96/75/20/582967520.db2.gz GYFPAOZPILRLGX-JQWIXIFHSA-N 0 3 247.335 0.515 20 0 BCADHN COC[C@@](C)(CCO)NC[C@H]1COC(C)(C)O1 ZINC000851807495 582968053 /nfs/dbraw/zinc/96/80/53/582968053.db2.gz GYFPAOZPILRLGX-CMPLNLGQSA-N 0 3 247.335 0.515 20 0 BCADHN CNC(=O)CCNCc1cnc(F)c(C)c1 ZINC000892727802 582970846 /nfs/dbraw/zinc/97/08/46/582970846.db2.gz SLRDXZLMEKSVAR-UHFFFAOYSA-N 0 3 225.267 0.755 20 0 BCADHN CC[N@H+](C)C[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000892732388 582972670 /nfs/dbraw/zinc/97/26/70/582972670.db2.gz YYFDDAYKIPQSCZ-JTQLQIEISA-N 0 3 236.319 0.960 20 0 BCADHN CC[N@@H+](C)C[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000892732388 582972672 /nfs/dbraw/zinc/97/26/72/582972672.db2.gz YYFDDAYKIPQSCZ-JTQLQIEISA-N 0 3 236.319 0.960 20 0 BCADHN C[C@@]1(NC(=O)Cc2ccon2)CN2CCC1CC2 ZINC000892779764 582981048 /nfs/dbraw/zinc/98/10/48/582981048.db2.gz CPJCBILSZJHWCC-CYBMUJFWSA-N 0 3 249.314 0.818 20 0 BCADHN Cc1cc(N)nc(N[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000892799439 582985327 /nfs/dbraw/zinc/98/53/27/582985327.db2.gz DBQKPAOQIKDISA-MRVPVSSYSA-N 0 3 247.302 0.542 20 0 BCADHN COC(CCN1CC[C@H](C)C[C@@H]1C(N)=O)OC ZINC000851958241 582986249 /nfs/dbraw/zinc/98/62/49/582986249.db2.gz YYOCRCWWAAMACF-VHSXEESVSA-N 0 3 244.335 0.581 20 0 BCADHN O=C1CN(c2ccncc2CO)CCN1C1CC1 ZINC000892807639 582986362 /nfs/dbraw/zinc/98/63/62/582986362.db2.gz WTPYUDGFISSEDQ-UHFFFAOYSA-N 0 3 247.298 0.385 20 0 BCADHN CC[C@H](O)CCNc1ccncc1CO ZINC000892935771 583012333 /nfs/dbraw/zinc/01/23/33/583012333.db2.gz DCAKCNNWUUSHON-JTQLQIEISA-N 0 3 210.277 0.569 20 0 BCADHN CCC[C@@H](O)CN1CC[C@@H](N2CCOC2=O)C1 ZINC000852439643 583013396 /nfs/dbraw/zinc/01/33/96/583013396.db2.gz DWKBDPJXCKTWDV-GHMZBOCLSA-N 0 3 242.319 0.674 20 0 BCADHN C[C@@H]1CCC[C@H](C)N1C(=O)C1=NO[C@@H](CN)C1 ZINC000852799425 583017430 /nfs/dbraw/zinc/01/74/30/583017430.db2.gz GTDPOPACCJHUEI-KXUCPTDWSA-N 0 3 239.319 0.880 20 0 BCADHN CC(C)C1(CNC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852845321 583021044 /nfs/dbraw/zinc/02/10/44/583021044.db2.gz GPNMMULFSXVXBS-SECBINFHSA-N 0 3 239.319 0.642 20 0 BCADHN CC1(C)[C@@H]2CN(C(=O)C3=NO[C@H](CN)C3)C[C@@H]21 ZINC000852846799 583021456 /nfs/dbraw/zinc/02/14/56/583021456.db2.gz GVMQWLCMQUEHGX-XHNCKOQMSA-N 0 3 237.303 0.204 20 0 BCADHN CN(Cc1ccccn1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852873885 583021804 /nfs/dbraw/zinc/02/18/04/583021804.db2.gz GZZNUALUSIHCLK-SNVBAGLBSA-N 0 3 248.286 0.144 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cc(F)ccc1C(N)=O ZINC000852901947 583023131 /nfs/dbraw/zinc/02/31/31/583023131.db2.gz XBFXKHBVTOJHLV-MRVPVSSYSA-N 0 3 239.250 0.600 20 0 BCADHN Cc1cc(N)nc(N[C@@H](CO)CC2CC2)n1 ZINC000892977146 583025007 /nfs/dbraw/zinc/02/50/07/583025007.db2.gz MSYWOWZFKHSOAX-SECBINFHSA-N 0 3 222.292 0.940 20 0 BCADHN Cc1cc(CNCC[S@](C)=O)cnc1F ZINC000893005401 583029680 /nfs/dbraw/zinc/02/96/80/583029680.db2.gz SZMUNFYGLHKTKW-HNNXBMFYSA-N 0 3 230.308 0.997 20 0 BCADHN CC(=O)OC[C@H](C)N[C@H]1CCC(=O)N(C)C1 ZINC000893009158 583029731 /nfs/dbraw/zinc/02/97/31/583029731.db2.gz QKGNJFBBLNAIJK-WPRPVWTQSA-N 0 3 228.292 0.148 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)c2cccc[n+]2[O-])CCN1 ZINC000856484942 588873684 /nfs/dbraw/zinc/87/36/84/588873684.db2.gz JWUOJWUSUBBERX-NSHDSACASA-N 0 3 249.314 0.390 20 0 BCADHN Cc1cc(N)nc(N2C[C@H](C)N(C)C[C@H]2C)n1 ZINC000893077616 583043035 /nfs/dbraw/zinc/04/30/35/583043035.db2.gz BEEIQWFMHXHRSQ-VHSXEESVSA-N 0 3 235.335 0.896 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)[C@@H](O)C2CC2)CCN1 ZINC000856490138 588873869 /nfs/dbraw/zinc/87/38/69/588873869.db2.gz WRKVYIJTQWJWGZ-QWRGUYRKSA-N 0 3 226.320 0.214 20 0 BCADHN CCO/C=C/C(=O)N1CCN[C@H](C(C)C)C1 ZINC000856489136 588874040 /nfs/dbraw/zinc/87/40/40/588874040.db2.gz KDYMGLWOUVIABR-BWNDKRECSA-N 0 3 226.320 0.993 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@H](C)CC(N)=O)[C@H]1OC ZINC000893133077 583055202 /nfs/dbraw/zinc/05/52/02/583055202.db2.gz ZSSYUXCTFKJIAW-TURQNECASA-N 0 3 230.308 0.032 20 0 BCADHN CC[C@H](C(=O)NCCO[C@@H]1CCOC1)N(C)C ZINC000885706831 588874813 /nfs/dbraw/zinc/87/48/13/588874813.db2.gz CLUJVBKGXXMXNH-GHMZBOCLSA-N 0 3 244.335 0.248 20 0 BCADHN OCc1cnccc1N1CCN2CCOC[C@@H]2C1 ZINC000893160931 583059719 /nfs/dbraw/zinc/05/97/19/583059719.db2.gz YWIVEOKMJREFPF-LBPRGKRZSA-N 0 3 249.314 0.095 20 0 BCADHN F[C@@H]1CC2(CC[C@@H]1N[C@H]1CCOC1)OCCO2 ZINC000893180057 583065195 /nfs/dbraw/zinc/06/51/95/583065195.db2.gz BAOUVDJVBMPOTQ-AXFHLTTASA-N 0 3 245.294 0.999 20 0 BCADHN CNS(=O)(=O)CCN1C[C@@H](C)CC1(C)C ZINC000856727395 588875630 /nfs/dbraw/zinc/87/56/30/588875630.db2.gz LYKOQOYKEWOYPP-VIFPVBQESA-N 0 3 234.365 0.656 20 0 BCADHN CCc1onc(C)c1CNC[C@@]1(O)CCOC1 ZINC000893216362 583073063 /nfs/dbraw/zinc/07/30/63/583073063.db2.gz RUECGNXMSICXMO-LBPRGKRZSA-N 0 3 240.303 0.786 20 0 BCADHN CC(=O)NCCCNCc1cn(C)nc1Cl ZINC000856766045 588876340 /nfs/dbraw/zinc/87/63/40/588876340.db2.gz UXCYTXYDDXQWTQ-UHFFFAOYSA-N 0 3 244.726 0.689 20 0 BCADHN Cc1cc(N)nc(N[C@H]2CCn3ccnc3C2)n1 ZINC000893265481 583080622 /nfs/dbraw/zinc/08/06/22/583080622.db2.gz LHBVXLASJXDQDA-VIFPVBQESA-N 0 3 244.302 0.991 20 0 BCADHN COC[C@H](NCCn1ccccc1=O)C1CC1 ZINC000397257457 583098962 /nfs/dbraw/zinc/09/89/62/583098962.db2.gz IWECKJCZIHWILW-LBPRGKRZSA-N 0 3 236.315 0.863 20 0 BCADHN CO[C@H]1COCC[C@H]1CNCc1cnccn1 ZINC000856789836 588877857 /nfs/dbraw/zinc/87/78/57/588877857.db2.gz LCRFKJHFWDHDOC-JQWIXIFHSA-N 0 3 237.303 0.618 20 0 BCADHN NC(=O)[C@@H]1CCC[C@H](NCc2cnccn2)C1 ZINC000856769810 583123889 /nfs/dbraw/zinc/12/38/89/583123889.db2.gz COGYFFJVXMJMCR-ZJUUUORDSA-N 0 3 234.303 0.610 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@@H]2C=C[C@H](CO)C2)[C@H]1OC ZINC000893368410 583128000 /nfs/dbraw/zinc/12/80/00/583128000.db2.gz XAQKMCADKFUNJN-ZOLYEBIHSA-N 0 3 241.331 0.705 20 0 BCADHN OCC1(N[C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893389413 583134201 /nfs/dbraw/zinc/13/42/01/583134201.db2.gz ZBHVHSSMIKANCO-VHSXEESVSA-N 0 3 245.294 0.735 20 0 BCADHN OCC1(N[C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893389412 583134390 /nfs/dbraw/zinc/13/43/90/583134390.db2.gz ZBHVHSSMIKANCO-UWVGGRQHSA-N 0 3 245.294 0.735 20 0 BCADHN COc1ccc(CNCCc2n[nH]c(C)n2)nc1 ZINC000893459886 583147663 /nfs/dbraw/zinc/14/76/63/583147663.db2.gz DFPCDDJYHGFKAE-UHFFFAOYSA-N 0 3 247.302 0.849 20 0 BCADHN COc1ccc(CNCCc2nc(C)n[nH]2)nc1 ZINC000893459886 583147664 /nfs/dbraw/zinc/14/76/64/583147664.db2.gz DFPCDDJYHGFKAE-UHFFFAOYSA-N 0 3 247.302 0.849 20 0 BCADHN CS(=O)(=O)CCN[C@@H]1CCN2CCCC[C@@H]12 ZINC000216625094 583170069 /nfs/dbraw/zinc/17/00/69/583170069.db2.gz VIMYHNXSHVMEMC-MNOVXSKESA-N 0 3 246.376 0.247 20 0 BCADHN CO[C@@]1(CN[C@H](C)COC(C)=O)CCOC1 ZINC000893612915 583173677 /nfs/dbraw/zinc/17/36/77/583173677.db2.gz VOTVWSLNIZSSCP-MWLCHTKSSA-N 0 3 231.292 0.333 20 0 BCADHN C[C@H](N)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000168210532 583185321 /nfs/dbraw/zinc/18/53/21/583185321.db2.gz AJZUZRDNJNELCN-JTQLQIEISA-N 0 3 236.319 0.469 20 0 BCADHN O=c1cc(CN2CC[C@@H](n3cncn3)C2)cc[nH]1 ZINC000893694554 583202261 /nfs/dbraw/zinc/20/22/61/583202261.db2.gz XXNFKCBLLNCREF-LLVKDONJSA-N 0 3 245.286 0.826 20 0 BCADHN CC(=O)OC[C@H](C)N[C@@H]1C[C@@H](O)C1(C)C ZINC000893708412 583208381 /nfs/dbraw/zinc/20/83/81/583208381.db2.gz ZNLAXFBQFRKQCJ-FXBDTBDDSA-N 0 3 215.293 0.687 20 0 BCADHN C[C@H]1CN(C[C@H]2COC(C)(C)O2)CC[C@H]1O ZINC000893711419 583209542 /nfs/dbraw/zinc/20/95/42/583209542.db2.gz LBCWCUZVBVWSFP-GARJFASQSA-N 0 3 229.320 0.841 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)N[C@H]1CCOC1 ZINC000893813493 583225698 /nfs/dbraw/zinc/22/56/98/583225698.db2.gz MIIRHLKUQPUFEM-MNOVXSKESA-N 0 3 241.335 0.559 20 0 BCADHN Cc1ccnc(N)c1CN1CCC[C@@H](C(N)=O)C1 ZINC000893863727 583234864 /nfs/dbraw/zinc/23/48/64/583234864.db2.gz MEJMHERQIOOJMY-SNVBAGLBSA-N 0 3 248.330 0.670 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2c2cnccn2)C1 ZINC000893934552 583252539 /nfs/dbraw/zinc/25/25/39/583252539.db2.gz HMRIYBPEKSDLBV-UWVGGRQHSA-N 0 3 204.277 0.617 20 0 BCADHN COCc1cc(N2CC[C@H]3CN(C)C[C@H]32)ncn1 ZINC000893938205 583253440 /nfs/dbraw/zinc/25/34/40/583253440.db2.gz CGKDDRRGBLIOQM-CMPLNLGQSA-N 0 3 248.330 0.763 20 0 BCADHN COc1ccnc(N2CC[C@@H]3CN(C)C[C@H]32)n1 ZINC000893942168 583256106 /nfs/dbraw/zinc/25/61/06/583256106.db2.gz ZLBGFFLSWLOIRN-NXEZZACHSA-N 0 3 234.303 0.626 20 0 BCADHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)COCCOC ZINC000893964601 583257436 /nfs/dbraw/zinc/25/74/36/583257436.db2.gz YDOKGCBFAIWYDZ-WDEREUQCSA-N 0 3 246.351 0.494 20 0 BCADHN CCc1nc(CNc2cc(NC)ncn2)n[nH]1 ZINC000894008547 583270126 /nfs/dbraw/zinc/27/01/26/583270126.db2.gz OXEJLZYXOJOSPT-UHFFFAOYSA-N 0 3 233.279 0.811 20 0 BCADHN OCc1cnccc1NCc1nnc(C2CC2)[nH]1 ZINC000894029366 583282169 /nfs/dbraw/zinc/28/21/69/583282169.db2.gz CGPDVZITUCWQIW-UHFFFAOYSA-N 0 3 245.286 0.603 20 0 BCADHN COCC(COC)Nc1ccncc1CO ZINC000894077851 583297748 /nfs/dbraw/zinc/29/77/48/583297748.db2.gz VHZWJJRMTIQRRG-UHFFFAOYSA-N 0 3 226.276 0.069 20 0 BCADHN COC[C@H](N[C@H](C)COC(C)=O)[C@@H]1CCCO1 ZINC000894117427 583310095 /nfs/dbraw/zinc/31/00/95/583310095.db2.gz FIEKETYDPKFIFW-USWWRNFRSA-N 0 3 245.319 0.722 20 0 BCADHN CC1(C)CO[C@@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000877306804 583310958 /nfs/dbraw/zinc/31/09/58/583310958.db2.gz DLGGMIGWGQIGRF-SKDRFNHKSA-N 0 3 244.310 0.619 20 0 BCADHN CC(=O)OC[C@H](C)NCC1(S(C)(=O)=O)CC1 ZINC000894156164 583319993 /nfs/dbraw/zinc/31/99/93/583319993.db2.gz KFTMULVBODJKTC-QMMMGPOBSA-N 0 3 249.332 0.105 20 0 BCADHN Cn1cc(CN2CC[C@@H]3CSC[C@@H]3C2)nn1 ZINC000877737939 583345074 /nfs/dbraw/zinc/34/50/74/583345074.db2.gz JADYKPAOLJRWKP-ZJUUUORDSA-N 0 3 238.360 1.000 20 0 BCADHN C[C@@](C[NH3+])(NC(=O)c1ccc(N)cc1[O-])C1CC1 ZINC000841848556 583362049 /nfs/dbraw/zinc/36/20/49/583362049.db2.gz LSIKFGZMJHFFCL-ZDUSSCGKSA-N 0 3 249.314 0.832 20 0 BCADHN CO[C@@H]1CCN(C[C@H](O)CC2(O)CCCC2)C1 ZINC000878166375 583364463 /nfs/dbraw/zinc/36/44/63/583364463.db2.gz STAQXXHBWUMAIY-VXGBXAGGSA-N 0 3 243.347 0.763 20 0 BCADHN OC[C@@H]1C[C@@H](O)CN1C[C@@H]1CC2(CCC2)CO1 ZINC000878320624 583369979 /nfs/dbraw/zinc/36/99/79/583369979.db2.gz HWWPHNJHGABYOO-TUAOUCFPSA-N 0 3 241.331 0.373 20 0 BCADHN C[C@@H]1[C@H](C)N(C[C@@H](O)CC(C)(C)O)CCN1C ZINC000878338629 583370854 /nfs/dbraw/zinc/37/08/54/583370854.db2.gz AEABSTOZXPDEHI-WOPDTQHZSA-N 0 3 244.379 0.533 20 0 BCADHN Cn1cncc1CCN1C[C@H]2C[C@@]2(CO)C1 ZINC000878482616 583376361 /nfs/dbraw/zinc/37/63/61/583376361.db2.gz VFYYBNWLTRQFPF-PWSUYJOCSA-N 0 3 221.304 0.277 20 0 BCADHN CO[C@H]1CCN(CCc2nnnn2C)[C@H](C)C1 ZINC000878554746 583382117 /nfs/dbraw/zinc/38/21/17/583382117.db2.gz JDFSCHUKOJTNCR-ZJUUUORDSA-N 0 3 239.323 0.252 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)COC2CC2)C1 ZINC000878664559 583390568 /nfs/dbraw/zinc/39/05/68/583390568.db2.gz LISUCKVKPOEWKR-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H](NC[C@H]1COC(C)(C)O1)C(=O)NCCF ZINC000894257199 583395173 /nfs/dbraw/zinc/39/51/73/583395173.db2.gz OQYRXKLLRYVTDT-BDAKNGLRSA-N 0 3 248.298 0.202 20 0 BCADHN CC(=O)OC[C@@H](C)N[C@H](C)C(=O)NCCF ZINC000894257346 583395213 /nfs/dbraw/zinc/39/52/13/583395213.db2.gz PMEMUAAECSHFEU-HTQZYQBOSA-N 0 3 234.271 0.002 20 0 BCADHN Cc1ccnc(N)c1CNCC1(O)CCC1 ZINC000894261869 583399460 /nfs/dbraw/zinc/39/94/60/583399460.db2.gz VOBFLGXVHBIJHV-UHFFFAOYSA-N 0 3 221.304 0.977 20 0 BCADHN C[C@@H]1CC[C@H](CNCCS(C)(=O)=O)O1 ZINC000148585561 583399801 /nfs/dbraw/zinc/39/98/01/583399801.db2.gz NNCYGQVJUOMUEW-RKDXNWHRSA-N 0 3 221.322 0.188 20 0 BCADHN CN(CCOCCO)Cc1ccc(O)c(F)c1 ZINC000894263123 583400282 /nfs/dbraw/zinc/40/02/82/583400282.db2.gz CQWDYVGUOHGVEX-UHFFFAOYSA-N 0 3 243.278 0.972 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN[C@H](CO)C2CC2)C1(F)F ZINC000894273186 583403507 /nfs/dbraw/zinc/40/35/07/583403507.db2.gz HUKHBZQASPINLP-YIZRAAEISA-N 0 3 249.257 0.401 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN[C@@H](C)CCO)C1(F)F ZINC000894284276 583409988 /nfs/dbraw/zinc/40/99/88/583409988.db2.gz OCWZRXPJYLUKGB-RNJXMRFFSA-N 0 3 237.246 0.401 20 0 BCADHN Cc1ccnc(N)c1CN[C@@H](C)CCO ZINC000894285654 583410752 /nfs/dbraw/zinc/41/07/52/583410752.db2.gz YRSXWZHBCYGJGN-VIFPVBQESA-N 0 3 209.293 0.833 20 0 BCADHN C[C@@H](O)CCCN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044218 583418379 /nfs/dbraw/zinc/41/83/79/583418379.db2.gz QLIGDQPBVJKCHN-MWLCHTKSSA-N 0 3 246.326 0.683 20 0 BCADHN CO[C@@H]1CC[C@@H](C)N(CCn2cnnn2)C1 ZINC000879326848 583426062 /nfs/dbraw/zinc/42/60/62/583426062.db2.gz TVIFXPCBTXOJSI-NXEZZACHSA-N 0 3 225.296 0.172 20 0 BCADHN CC1(C)COC[C@@H]1NCc1ccc(C(N)=O)nc1 ZINC000894339131 583427734 /nfs/dbraw/zinc/42/77/34/583427734.db2.gz QKTYKMRBOGHNIA-NSHDSACASA-N 0 3 249.314 0.695 20 0 BCADHN COC(=O)N1CC(N[C@@H]2COCC2(C)C)C1 ZINC000894346002 583430938 /nfs/dbraw/zinc/43/09/38/583430938.db2.gz OGVGPMHVQANVGB-SECBINFHSA-N 0 3 228.292 0.452 20 0 BCADHN CC1(C)COCCN1CCNCc1c[nH]cn1 ZINC000894391082 583446437 /nfs/dbraw/zinc/44/64/37/583446437.db2.gz AFTRFVMONQCGAW-UHFFFAOYSA-N 0 3 238.335 0.610 20 0 BCADHN CC1(C)COCCN1CCNCc1cnc[nH]1 ZINC000894391082 583446441 /nfs/dbraw/zinc/44/64/41/583446441.db2.gz AFTRFVMONQCGAW-UHFFFAOYSA-N 0 3 238.335 0.610 20 0 BCADHN Cc1ccnc(N)c1CN[C@@H](C)C[S@@](C)=O ZINC000894445785 583460483 /nfs/dbraw/zinc/46/04/83/583460483.db2.gz RSZJCFJBZJISBF-XXFAHNHDSA-N 0 3 241.360 0.829 20 0 BCADHN Cc1ccnc(N)c1CN[C@@H](C)C[S@](C)=O ZINC000894445783 583461168 /nfs/dbraw/zinc/46/11/68/583461168.db2.gz RSZJCFJBZJISBF-FVMDXXJSSA-N 0 3 241.360 0.829 20 0 BCADHN Cc1cc(N)nc(N[C@@H](CO)C2CCC2)n1 ZINC000894488478 583471204 /nfs/dbraw/zinc/47/12/04/583471204.db2.gz BLUNCPUUVSZXEC-VIFPVBQESA-N 0 3 222.292 0.940 20 0 BCADHN Cc1[nH]nc(CN2C[C@H](O)C[C@H]2C)c1C ZINC000894539809 583480526 /nfs/dbraw/zinc/48/05/26/583480526.db2.gz WSDQIDYYRGEODC-GMSGAONNSA-N 0 3 209.293 0.982 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN2C[C@H](O)C[C@@H]2C)C1(F)F ZINC000894539434 583480712 /nfs/dbraw/zinc/48/07/12/583480712.db2.gz SLSZBVGARXMPHR-KZVJFYERSA-N 0 3 249.257 0.496 20 0 BCADHN CN(C[C@@H]1COCCO1)c1ccncc1CO ZINC000894544461 583482134 /nfs/dbraw/zinc/48/21/34/583482134.db2.gz GKFUTNJSFZUYOL-LLVKDONJSA-N 0 3 238.287 0.426 20 0 BCADHN CC[C@H](CN[C@H](C)COC(C)=O)OC ZINC000894555588 583483347 /nfs/dbraw/zinc/48/33/47/583483347.db2.gz YTVGZPAUMDPILX-PSASIEDQSA-N 0 3 203.282 0.953 20 0 BCADHN OCc1cnccc1N1CC[C@@]2(O)C[C@H]2C1 ZINC000894565420 583484319 /nfs/dbraw/zinc/48/43/19/583484319.db2.gz HSXRHBWWCZOZRS-CMPLNLGQSA-N 0 3 220.272 0.535 20 0 BCADHN C[C@@H](O)CN(C)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894575550 583486402 /nfs/dbraw/zinc/48/64/02/583486402.db2.gz ONKIZNIIRRKYDT-OUAUKWLOSA-N 0 3 247.310 0.933 20 0 BCADHN CCc1nccc(N(C)CCN(C)CCO)n1 ZINC000894590750 583488105 /nfs/dbraw/zinc/48/81/05/583488105.db2.gz HDRGKCZLEIISSA-UHFFFAOYSA-N 0 3 238.335 0.399 20 0 BCADHN CN(CCN)C(=O)C(=O)C1CCSCC1 ZINC000857764667 588910372 /nfs/dbraw/zinc/91/03/72/588910372.db2.gz WTNBBWQWNJQYEB-UHFFFAOYSA-N 0 3 230.333 0.116 20 0 BCADHN CCNC(=O)[C@@H](N[C@H](C)COC(C)=O)C(C)C ZINC000894614014 583494506 /nfs/dbraw/zinc/49/45/06/583494506.db2.gz WHZSBQGGTUJPHW-KOLCDFICSA-N 0 3 244.335 0.688 20 0 BCADHN CO[C@H](CN[C@H](C)COC(C)=O)C1CC1 ZINC000894631139 583498714 /nfs/dbraw/zinc/49/87/14/583498714.db2.gz CFHGUXDWOHZPDS-LDYMZIIASA-N 0 3 215.293 0.953 20 0 BCADHN C[C@H](CCO)N[C@H](CC(N)=O)c1ccccc1 ZINC000894631681 583498797 /nfs/dbraw/zinc/49/87/97/583498797.db2.gz OAVASOAIOJKRRV-ZYHUDNBSSA-N 0 3 236.315 0.964 20 0 BCADHN Cc1cc(N)nc(NCCOCCF)n1 ZINC000894650262 583500353 /nfs/dbraw/zinc/50/03/53/583500353.db2.gz ZDWWACXHMUIAAK-UHFFFAOYSA-N 0 3 214.244 0.765 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN(C)CCCO)C1(F)F ZINC000894664173 583502195 /nfs/dbraw/zinc/50/21/95/583502195.db2.gz WCFOKKWENORVFC-YUMQZZPRSA-N 0 3 237.246 0.355 20 0 BCADHN Cc1cc(N)nc(NC[C@H](O)[C@@H]2CCCO2)n1 ZINC000894725874 583515068 /nfs/dbraw/zinc/51/50/68/583515068.db2.gz QIPSKMISKAQKQT-IUCAKERBSA-N 0 3 238.291 0.319 20 0 BCADHN CNC(=O)C[C@@H](C)N[C@H](C)COC(C)=O ZINC000894751750 583516111 /nfs/dbraw/zinc/51/61/11/583516111.db2.gz YRWLFFBVPFYROD-HTQZYQBOSA-N 0 3 216.281 0.052 20 0 BCADHN CNC(=O)C[C@@H](C)NCc1ccc(OC)cn1 ZINC000894749633 583516168 /nfs/dbraw/zinc/51/61/68/583516168.db2.gz ANIVKXKJNDLXAX-SECBINFHSA-N 0 3 237.303 0.704 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN(C)[C@@H](C)CO)C1(F)F ZINC000894769651 583516855 /nfs/dbraw/zinc/51/68/55/583516855.db2.gz DYNRNVQLRHRBEF-RNJXMRFFSA-N 0 3 237.246 0.353 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CNC[C@@H](O)C2CC2)C1(F)F ZINC000894766298 583519211 /nfs/dbraw/zinc/51/92/11/583519211.db2.gz PBLTVNRDPQWABU-HLTSFMKQSA-N 0 3 249.257 0.401 20 0 BCADHN O[C@H]1C[C@@H](N[C@@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000894779412 583519889 /nfs/dbraw/zinc/51/98/89/583519889.db2.gz YUCYLBYYJCXYCM-LMLFDSFASA-N 0 3 245.294 0.733 20 0 BCADHN O[C@@H]1CCN(CCNc2nccn3ccnc23)C1 ZINC000894782743 583521215 /nfs/dbraw/zinc/52/12/15/583521215.db2.gz YXVPJZLJJWJKOV-SNVBAGLBSA-N 0 3 247.302 0.208 20 0 BCADHN COC(=O)[C@H]1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC000894782457 583521318 /nfs/dbraw/zinc/52/13/18/583521318.db2.gz LECJIUMEWLLKJK-WCBMZHEXSA-N 0 3 240.303 0.196 20 0 BCADHN CN1CCC[C@H](N2CC[C@@H](CF)C2)C1=O ZINC000880299459 583526169 /nfs/dbraw/zinc/52/61/69/583526169.db2.gz UDZSLTZNWCKCOD-UWVGGRQHSA-N 0 3 214.284 0.899 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC000894845167 583530502 /nfs/dbraw/zinc/53/05/02/583530502.db2.gz BKXYKSZBSREEJF-IVZWLZJFSA-N 0 3 247.314 0.051 20 0 BCADHN CCC[C@@H](CCO)Nc1ccncc1CO ZINC000894866904 583537579 /nfs/dbraw/zinc/53/75/79/583537579.db2.gz CSIFEUQNEIXTFG-NSHDSACASA-N 0 3 224.304 0.959 20 0 BCADHN Oc1cccc(CNC[C@@H]2COCO2)c1 ZINC000894870145 583539633 /nfs/dbraw/zinc/53/96/33/583539633.db2.gz IGVUPHBGSKSQFT-LLVKDONJSA-N 0 3 209.245 0.855 20 0 BCADHN Cc1ncsc1CNC[C@@H]1COCO1 ZINC000894875426 583541093 /nfs/dbraw/zinc/54/10/93/583541093.db2.gz BZVYJWKPSSPDAI-MRVPVSSYSA-N 0 3 214.290 0.914 20 0 BCADHN CCOC(=O)CCCN1CC=C[C@H]1CO ZINC000880486913 583544561 /nfs/dbraw/zinc/54/45/61/583544561.db2.gz QOKUKKAWOSELAJ-JTQLQIEISA-N 0 3 213.277 0.562 20 0 BCADHN CCN(C)C(=O)CCN1CC=C[C@H]1CO ZINC000880487370 583544675 /nfs/dbraw/zinc/54/46/75/583544675.db2.gz KQKPLZNVPNOCKV-JTQLQIEISA-N 0 3 212.293 0.088 20 0 BCADHN CCn1cc(CCN2CC=C[C@@H]2CO)cn1 ZINC000880489968 583544821 /nfs/dbraw/zinc/54/48/21/583544821.db2.gz ZSXOBKGSZCTVIB-GFCCVEGCSA-N 0 3 221.304 0.678 20 0 BCADHN CCOCC[C@@H](O)CN1CC=C[C@@H]1CO ZINC000880491158 583545472 /nfs/dbraw/zinc/54/54/72/583545472.db2.gz HMZZHAMXNGTSFY-GHMZBOCLSA-N 0 3 215.293 0.007 20 0 BCADHN Cc1ncc(CNC[C@H]2COCO2)n1C ZINC000894884219 583545982 /nfs/dbraw/zinc/54/59/82/583545982.db2.gz DYEBNSYMBITGCM-JTQLQIEISA-N 0 3 211.265 0.191 20 0 BCADHN C[C@H](O)CCCN1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880526193 583546022 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URIZKQGDSISZRW-SNVBAGLBSA-N 0 3 237.303 0.941 20 0 BCADHN COC[C@H](C)N[C@H]1CCCCNC1=O ZINC000020042105 583612219 /nfs/dbraw/zinc/61/22/19/583612219.db2.gz FOMNVKSHTLJFLE-IUCAKERBSA-N 0 3 200.282 0.280 20 0 BCADHN COC[C@@H](C)N[C@@H]1CCCCNC1=O ZINC000020042096 583612347 /nfs/dbraw/zinc/61/23/47/583612347.db2.gz FOMNVKSHTLJFLE-RKDXNWHRSA-N 0 3 200.282 0.280 20 0 BCADHN O=C1NCCN1CCNCc1ccc(F)cc1 ZINC000020052372 583612606 /nfs/dbraw/zinc/61/26/06/583612606.db2.gz AUIKAGLCXQBRAB-UHFFFAOYSA-N 0 3 237.278 0.941 20 0 BCADHN C[C@H](N[C@@H]1CC[C@H]1C)C1N=NC(=O)N1C ZINC000895173981 583613727 /nfs/dbraw/zinc/61/37/27/583613727.db2.gz CQQQUGPQNQRGEQ-GJMOJQLCSA-N 0 3 210.281 0.970 20 0 BCADHN C[C@H](N[C@H]1CC[C@@H]1C)C1N=NC(=O)N1C ZINC000895173980 583613821 /nfs/dbraw/zinc/61/38/21/583613821.db2.gz CQQQUGPQNQRGEQ-FXQIFTODSA-N 0 3 210.281 0.970 20 0 BCADHN C[C@H](CNc1ncc(C=O)cn1)CN(C)C ZINC000882393011 583614872 /nfs/dbraw/zinc/61/48/72/583614872.db2.gz SWMZTRZTYUWXFO-SECBINFHSA-N 0 3 222.292 0.899 20 0 BCADHN C[C@H](N[C@H]1CSC[C@H]1C)c1n[nH]c(=O)n1C ZINC000895177756 583616182 /nfs/dbraw/zinc/61/61/82/583616182.db2.gz XJCBMCWCEZNMRS-CSMHCCOUSA-N 0 3 242.348 0.923 20 0 BCADHN C[C@@H](N[C@@H](C)C1N=NC(=O)N1C)[C@@H]1CCOC1 ZINC000895177746 583616220 /nfs/dbraw/zinc/61/62/20/583616220.db2.gz XHTRRYCLQXJHAC-HRDYMLBCSA-N 0 3 240.307 0.596 20 0 BCADHN C[C@H](NC[C@@H]1C[C@@H]1C)C1N=NC(=O)N1C ZINC000895177839 583616435 /nfs/dbraw/zinc/61/64/35/583616435.db2.gz XNXZZCHNVWHQKE-FXQIFTODSA-N 0 3 210.281 0.827 20 0 BCADHN C[C@H](N[C@@H](C)[C@H]1CCOC1)C1N=NC(=O)N1C ZINC000895177745 583616502 /nfs/dbraw/zinc/61/65/02/583616502.db2.gz XHTRRYCLQXJHAC-CIUDSAMLSA-N 0 3 240.307 0.596 20 0 BCADHN C[C@H](N[C@@H]1CCSC1)c1n[nH]c(=O)n1C ZINC000895179363 583617174 /nfs/dbraw/zinc/61/71/74/583617174.db2.gz HRGUWWLUZQCJAA-NKWVEPMBSA-N 0 3 228.321 0.677 20 0 BCADHN O=C1NCCC[C@@H]1CN[C@H]1CCCc2c[nH]nc21 ZINC000857868715 588916856 /nfs/dbraw/zinc/91/68/56/588916856.db2.gz AJNIVYKCZHEDPC-MNOVXSKESA-N 0 3 248.330 0.903 20 0 BCADHN C[C@@H](NCc1cc[nH]c(=O)c1)c1n[nH]c(=O)n1C ZINC000895194635 583622196 /nfs/dbraw/zinc/62/21/96/583622196.db2.gz GQEHZKYCXKJXJL-SSDOTTSWSA-N 0 3 249.274 0.472 20 0 BCADHN O[C@@H]1COCC[C@H]1N[C@H]1CCCc2c[nH]nc21 ZINC000857871395 588917288 /nfs/dbraw/zinc/91/72/88/588917288.db2.gz OPKMNZUVFVJRTL-OUAUKWLOSA-N 0 3 237.303 0.527 20 0 BCADHN NC1(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CCC1 ZINC000147569314 583624202 /nfs/dbraw/zinc/62/42/02/583624202.db2.gz RQZRWBZKZPCPMQ-UHFFFAOYSA-N 0 3 246.270 0.676 20 0 BCADHN C[C@@H](CNC(=O)N[C@@H]1CC12CC(O)C2)N(C)C ZINC000895204461 583625136 /nfs/dbraw/zinc/62/51/36/583625136.db2.gz DNCURZKEKMWRHF-GWFPEYJASA-N 0 3 241.335 0.149 20 0 BCADHN O=c1cc(CN2CCN3C[C@H](O)C[C@H]3C2)cc[nH]1 ZINC000895210688 583626819 /nfs/dbraw/zinc/62/68/19/583626819.db2.gz QSAUYAYSAROCOX-NWDGAFQWSA-N 0 3 249.314 0.038 20 0 BCADHN COCC(C)(C)NC(=S)NCCN(C)C ZINC000727286244 583629377 /nfs/dbraw/zinc/62/93/77/583629377.db2.gz SUAHQFDEJMVFMG-UHFFFAOYSA-N 0 3 233.381 0.437 20 0 BCADHN COC(=O)[C@@H]1[C@H](CNC/C=C/CO)C1(F)F ZINC000895247663 583632800 /nfs/dbraw/zinc/63/28/00/583632800.db2.gz GVKNTEBSBMRRKV-HZIBQTDNSA-N 0 3 235.230 0.179 20 0 BCADHN COC[C@H](C)NCC[S@@](=O)C(F)(F)F ZINC000895256872 583633660 /nfs/dbraw/zinc/63/36/60/583633660.db2.gz MWPKUHNUWUSFJH-DXRPGJJCSA-N 0 3 233.255 0.879 20 0 BCADHN COC[C@@H](C)NCC[S@@](=O)C(F)(F)F ZINC000895256875 583633925 /nfs/dbraw/zinc/63/39/25/583633925.db2.gz MWPKUHNUWUSFJH-RWBAJPLHSA-N 0 3 233.255 0.879 20 0 BCADHN COC(=O)[C@H]1[C@H](CNC[C@@H](C)OC)C1(F)F ZINC000895257794 583634245 /nfs/dbraw/zinc/63/42/45/583634245.db2.gz WRSUCMDETXJTHW-GJMOJQLCSA-N 0 3 237.246 0.665 20 0 BCADHN C[C@]1(Br)C[C@H]1CN[C@H]1CCNC1=O ZINC000895301826 583644269 /nfs/dbraw/zinc/64/42/69/583644269.db2.gz NPLMHOVOSPKERK-ZKWXMUAHSA-N 0 3 247.136 0.638 20 0 BCADHN NC(=O)[C@H]1C[C@@H](N[C@H]2CCCc3c[nH]nc32)C1 ZINC000857873155 588918520 /nfs/dbraw/zinc/91/85/20/588918520.db2.gz VKEPZEGGTTYUGX-AEJSXWLSSA-N 0 3 234.303 0.641 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NCc2c[nH]cn2)C1 ZINC000895315613 583648127 /nfs/dbraw/zinc/64/81/27/583648127.db2.gz CDVVJGHAZKKGEI-OCAPTIKFSA-N 0 3 209.249 0.451 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NCc2cnc[nH]2)C1 ZINC000895315613 583648128 /nfs/dbraw/zinc/64/81/28/583648128.db2.gz CDVVJGHAZKKGEI-OCAPTIKFSA-N 0 3 209.249 0.451 20 0 BCADHN C[C@@H]1C[C@@H](N[C@H]2C(=O)NCC2(C)C)CS1 ZINC000895321323 583649215 /nfs/dbraw/zinc/64/92/15/583649215.db2.gz MRVGCIVCSFXVTA-HLTSFMKQSA-N 0 3 228.361 0.995 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NC[C@@H]1CCCCO1 ZINC000895322788 583650022 /nfs/dbraw/zinc/65/00/22/583650022.db2.gz WTIBTMKBXYRGJO-VHSXEESVSA-N 0 3 226.320 0.670 20 0 BCADHN Cc1cn[nH]c1CN[C@@H]1C(=O)NCC1(C)C ZINC000895323338 583650220 /nfs/dbraw/zinc/65/02/20/583650220.db2.gz KYOYYLCLWJOYOD-SECBINFHSA-N 0 3 222.292 0.332 20 0 BCADHN CC1(C)CNC(=O)[C@@H]1NC[C@@H]1CCCCO1 ZINC000895322786 583650272 /nfs/dbraw/zinc/65/02/72/583650272.db2.gz WTIBTMKBXYRGJO-UWVGGRQHSA-N 0 3 226.320 0.670 20 0 BCADHN CC(C)OC[C@@H](C)N[C@H]1C(=O)NCC1(C)C ZINC000895323846 583650373 /nfs/dbraw/zinc/65/03/73/583650373.db2.gz OLRBIXNMKNRSCS-ZJUUUORDSA-N 0 3 228.336 0.914 20 0 BCADHN COC1CC(N[C@H]2C(=O)NCC2(C)C)C1 ZINC000895325767 583651024 /nfs/dbraw/zinc/65/10/24/583651024.db2.gz XKYFUGGMNZBAAS-HACHORDNSA-N 0 3 212.293 0.278 20 0 BCADHN COC(=O)[C@@H]1[C@H](CN[C@@H]2C[C@]2(C)OC)C1(F)F ZINC000895342481 583654366 /nfs/dbraw/zinc/65/43/66/583654366.db2.gz INJQHGKXCGAQKE-ODHVRURNSA-N 0 3 249.257 0.808 20 0 BCADHN CC(=O)OC[C@@H](C)NCCO[C@H]1CC1(F)F ZINC000895356006 583658904 /nfs/dbraw/zinc/65/89/04/583658904.db2.gz CLHOLPQDOGMUKG-APPZFPTMSA-N 0 3 237.246 0.952 20 0 BCADHN CN(Cc1cnn(CCF)c1)CC1CN(C)C1 ZINC000895363479 583660022 /nfs/dbraw/zinc/66/00/22/583660022.db2.gz UGUJGGCXIKOKRP-UHFFFAOYSA-N 0 3 240.326 0.846 20 0 BCADHN CC(C(=O)NC1(C2CC2)CCC1)S(C)(=O)=O ZINC000895364128 583660245 /nfs/dbraw/zinc/66/02/45/583660245.db2.gz KTWMQVMWMFOUSX-QMMMGPOBSA-N 0 3 245.344 0.868 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1COCC1(C)C ZINC000895413584 583666735 /nfs/dbraw/zinc/66/67/35/583666735.db2.gz GVEGQIRPDLQGJA-DTWKUNHWSA-N 0 3 230.308 0.409 20 0 BCADHN CN(CCNCc1c[nH]cn1)CC(F)F ZINC000895416572 583667045 /nfs/dbraw/zinc/66/70/45/583667045.db2.gz ZDWLSLJVUCJLJV-UHFFFAOYSA-N 0 3 218.251 0.696 20 0 BCADHN CN(CCNCc1cnc[nH]1)CC(F)F ZINC000895416572 583667047 /nfs/dbraw/zinc/66/70/47/583667047.db2.gz ZDWLSLJVUCJLJV-UHFFFAOYSA-N 0 3 218.251 0.696 20 0 BCADHN O=S1(=O)CCC[C@@H](N[C@@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000895434040 583672558 /nfs/dbraw/zinc/67/25/58/583672558.db2.gz OHTWONAOGNRIEQ-CHWFTXMASA-N 0 3 229.345 0.952 20 0 BCADHN C[C@H](O)C1(NCc2cnn(CCF)c2)CC1 ZINC000895443574 583674273 /nfs/dbraw/zinc/67/42/73/583674273.db2.gz XCNNDFZEZJRGPV-VIFPVBQESA-N 0 3 227.283 0.856 20 0 BCADHN CO[C@@]1(C)C[C@H]1N[C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000895458617 583677432 /nfs/dbraw/zinc/67/74/32/583677432.db2.gz GNRKBBQNDCZCCQ-YTWAJWBKSA-N 0 3 247.360 0.577 20 0 BCADHN Cc1coc(CN2C[C@H](CO)[C@H](CO)C2)c1 ZINC000895461921 583678118 /nfs/dbraw/zinc/67/81/18/583678118.db2.gz CYCGXITWBKOZNQ-PHIMTYICSA-N 0 3 225.288 0.621 20 0 BCADHN CN(C)C1(C(=O)N2Cc3cnn(C)c3C2)CCC1 ZINC000857884000 588920810 /nfs/dbraw/zinc/92/08/10/588920810.db2.gz YDECNFQDLTZJQH-UHFFFAOYSA-N 0 3 248.330 0.747 20 0 BCADHN O=C(C1CN(C2CCOCC2)C1)N1CCC1 ZINC000895521557 583681713 /nfs/dbraw/zinc/68/17/13/583681713.db2.gz HIOZGCRANUTXFZ-UHFFFAOYSA-N 0 3 224.304 0.330 20 0 BCADHN CN(Cc1cc[nH]c(=O)c1)[C@@H]1CCC(=O)N(C)C1 ZINC000895537916 583687485 /nfs/dbraw/zinc/68/74/85/583687485.db2.gz VYLLVAAOTSGEFF-LLVKDONJSA-N 0 3 249.314 0.840 20 0 BCADHN CON(C)C(=O)CCN1CCS[C@H](C)C1 ZINC000788016536 583690674 /nfs/dbraw/zinc/69/06/74/583690674.db2.gz IPKAWZDYQFWZMU-SECBINFHSA-N 0 3 232.349 0.834 20 0 BCADHN Cn1cc(CN[C@H]2C[C@H](C(N)=O)C2)c(C2CC2)n1 ZINC000895587971 583694527 /nfs/dbraw/zinc/69/45/27/583694527.db2.gz AXMPFVRUQVDKLN-HOMQSWHASA-N 0 3 248.330 0.651 20 0 BCADHN CNC(=O)c1cccnc1N[C@H]1CCN(C)[C@H]1C ZINC000895739283 583714088 /nfs/dbraw/zinc/71/40/88/583714088.db2.gz CFMWIHKNOOBPRT-ONGXEEELSA-N 0 3 248.330 0.946 20 0 BCADHN CO[C@@H](C)CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000895741514 583714664 /nfs/dbraw/zinc/71/46/64/583714664.db2.gz FXOPLXQLBMNQDR-QWRGUYRKSA-N 0 3 243.351 0.757 20 0 BCADHN CO[C@H](C)CNC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000895745657 583716146 /nfs/dbraw/zinc/71/61/46/583716146.db2.gz GQPXQEKGQUCSFZ-GMTAPVOTSA-N 0 3 241.335 0.367 20 0 BCADHN Cc1nc2ccc(N[C@@H]3CCN(C)[C@H]3C)nn2n1 ZINC000895737150 583718227 /nfs/dbraw/zinc/71/82/27/583718227.db2.gz RTYHEUUOALZCFM-WCBMZHEXSA-N 0 3 246.318 0.937 20 0 BCADHN Cc1cc(N)nc(NC[C@H]2CCN2C)n1 ZINC000895766531 583719408 /nfs/dbraw/zinc/71/94/08/583719408.db2.gz DSSRLRNVDCERSI-MRVPVSSYSA-N 0 3 207.281 0.483 20 0 BCADHN COC(OC)[C@H](C)N[C@H](C)COC(C)=O ZINC000895787117 583727239 /nfs/dbraw/zinc/72/72/39/583727239.db2.gz HAFQDQXNQIOXPE-SFYZADRCSA-N 0 3 219.281 0.535 20 0 BCADHN COC(OC)[C@@H](C)N[C@H]1CCCNC(=O)C1 ZINC000895790623 583728309 /nfs/dbraw/zinc/72/83/09/583728309.db2.gz UMTRPDMPAZBNDU-BDAKNGLRSA-N 0 3 230.308 0.252 20 0 BCADHN CCCN1CC[C@H](NC(=O)N2CC[C@H]2CO)C1 ZINC000895840382 583734685 /nfs/dbraw/zinc/73/46/85/583734685.db2.gz GEIZGCVINSHFSN-QWRGUYRKSA-N 0 3 241.335 0.247 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000895875709 583737995 /nfs/dbraw/zinc/73/79/95/583737995.db2.gz NHIOLDARSFQNKO-JBLDHEPKSA-N 0 3 238.331 0.764 20 0 BCADHN CC[C@@H](C(=O)N[C@H]1CCn2cncc21)N(C)C ZINC000857979321 588925939 /nfs/dbraw/zinc/92/59/39/588925939.db2.gz AZHUSLARVBMUOZ-UWVGGRQHSA-N 0 3 236.319 0.784 20 0 BCADHN C[C@H](CCO)NCC(=O)N1CCc2ccccc21 ZINC000895964308 583754146 /nfs/dbraw/zinc/75/41/46/583754146.db2.gz LUGSSPVWPBNPRA-LLVKDONJSA-N 0 3 248.326 0.936 20 0 BCADHN COCC1CN(C[C@@]2(OC)CCOC2)C1 ZINC000895969460 583755450 /nfs/dbraw/zinc/75/54/50/583755450.db2.gz AWOFFYXUJLPAMX-NSHDSACASA-N 0 3 215.293 0.370 20 0 BCADHN CN(CC(=O)N[C@H]1CCn2cncc21)C1CCC1 ZINC000857977234 588926868 /nfs/dbraw/zinc/92/68/68/588926868.db2.gz SYQKYVNXSKUXIT-NSHDSACASA-N 0 3 248.330 0.928 20 0 BCADHN CC1(C)[C@@H](NC[C@H]2CCSC2)CS1(=O)=O ZINC000895982451 583758173 /nfs/dbraw/zinc/75/81/73/583758173.db2.gz PHFNUAQUDBVRCZ-BDAKNGLRSA-N 0 3 249.401 0.905 20 0 BCADHN C[C@@H]1C[C@H](N[C@H]2CS(=O)(=O)C2(C)C)CCO1 ZINC000895982418 583758183 /nfs/dbraw/zinc/75/81/83/583758183.db2.gz OULUQFGGFNFEMK-BBBLOLIVSA-N 0 3 247.360 0.719 20 0 BCADHN C[C@@H]1COCC[C@@H]1N[C@H]1CS(=O)(=O)C1(C)C ZINC000895982836 583758232 /nfs/dbraw/zinc/75/82/32/583758232.db2.gz GMHDVIOZYYGKPD-UTLUCORTSA-N 0 3 247.360 0.577 20 0 BCADHN CC1(C)[C@@H](N[C@@H]2CCCOCC2)CS1(=O)=O ZINC000895983188 583758264 /nfs/dbraw/zinc/75/82/64/583758264.db2.gz XFTGZDJKKHKPHT-ZJUUUORDSA-N 0 3 247.360 0.721 20 0 BCADHN Cc1cc(CCNc2ccncc2CO)nn1C ZINC000896023946 583762492 /nfs/dbraw/zinc/76/24/92/583762492.db2.gz RQSRQFGSKIPQQQ-UHFFFAOYSA-N 0 3 246.314 0.692 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000896115400 583771919 /nfs/dbraw/zinc/77/19/19/583771919.db2.gz DAIJGUQYVAPJLL-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN CN(C)C1(C(=O)N[C@H]2CCn3cncc32)CCC1 ZINC000857982259 588928089 /nfs/dbraw/zinc/92/80/89/588928089.db2.gz OFHBGVSACKTJDO-JTQLQIEISA-N 0 3 248.330 0.928 20 0 BCADHN CCO[C@@H](CNc1cnccn1)CN(C)C ZINC000896108521 583772995 /nfs/dbraw/zinc/77/29/95/583772995.db2.gz GHGLGIDUUVTCCM-JTQLQIEISA-N 0 3 224.308 0.855 20 0 BCADHN Cc1ccc(O[C@@H]2CCN(CCO)C2)nc1 ZINC000858037031 588931203 /nfs/dbraw/zinc/93/12/03/588931203.db2.gz SGXKWQYDDZYYHQ-LLVKDONJSA-N 0 3 222.288 0.835 20 0 BCADHN C[C@@H]1CO[C@@H](C(=O)N(C)CCN2CCCC2)C1 ZINC000896154512 583776094 /nfs/dbraw/zinc/77/60/94/583776094.db2.gz COOJJXMYHGKTAD-NWDGAFQWSA-N 0 3 240.347 0.966 20 0 BCADHN CCN1CC[C@@H]1CN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000883355048 583777789 /nfs/dbraw/zinc/77/77/89/583777789.db2.gz HSQPPRXLCPEOGY-VHSXEESVSA-N 0 3 236.319 0.927 20 0 BCADHN CN1CC[C@@H](c2nc(-c3nccc(N)n3)no2)C1 ZINC000896309978 583790368 /nfs/dbraw/zinc/79/03/68/583790368.db2.gz RUYJSEJULYIXBJ-SSDOTTSWSA-N 0 3 246.274 0.358 20 0 BCADHN c1ncc(CN2CC[C@@H](C3OCCO3)C2)cn1 ZINC000896383422 583798451 /nfs/dbraw/zinc/79/84/51/583798451.db2.gz BCBFTLWHPGCOLO-LLVKDONJSA-N 0 3 235.287 0.671 20 0 BCADHN CN1CC[C@@H]1CNCc1ccc(Cl)nn1 ZINC000896595816 583816545 /nfs/dbraw/zinc/81/65/45/583816545.db2.gz PDQRCGYCKOOHHO-SECBINFHSA-N 0 3 226.711 0.924 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CNC[C@@H]2CCN2C)C1(F)F ZINC000896595056 583816754 /nfs/dbraw/zinc/81/67/54/583816754.db2.gz MSFNWBLXXXQPRE-YIZRAAEISA-N 0 3 248.273 0.334 20 0 BCADHN CCc1nn(C)cc1CN(CC)CCC(N)=O ZINC000896711938 583826214 /nfs/dbraw/zinc/82/62/14/583826214.db2.gz KYOZJSMEOJBFLG-UHFFFAOYSA-N 0 3 238.335 0.680 20 0 BCADHN CCN1CCC[C@H](N[C@H](C)COC(C)=O)C1=O ZINC000896728970 583827398 /nfs/dbraw/zinc/82/73/98/583827398.db2.gz JUIVBUJAOKUGLF-KOLCDFICSA-N 0 3 242.319 0.539 20 0 BCADHN CCN1CCC[C@H](N[C@@H](C)COC(C)=O)C1=O ZINC000896728972 583827674 /nfs/dbraw/zinc/82/76/74/583827674.db2.gz JUIVBUJAOKUGLF-ONGXEEELSA-N 0 3 242.319 0.539 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N(C)CCN(C)C)C1 ZINC000896819007 583836613 /nfs/dbraw/zinc/83/66/13/583836613.db2.gz PUELXELKOTYFNX-UWVGGRQHSA-N 0 3 214.309 0.431 20 0 BCADHN CC1(C)CN(C(=O)C[C@@H]2CCCO2)CCN1 ZINC000148067382 583840758 /nfs/dbraw/zinc/84/07/58/583840758.db2.gz CSBOLXKJNXGYKH-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CCO[C@H](CNCc1csnn1)CN(C)C ZINC000896879979 583844989 /nfs/dbraw/zinc/84/49/89/583844989.db2.gz JYIDOXWLGNRMBI-SNVBAGLBSA-N 0 3 244.364 0.594 20 0 BCADHN CO[C@H]1CCCN(CCCN2CCOC2=O)C1 ZINC000728056231 583847090 /nfs/dbraw/zinc/84/70/90/583847090.db2.gz KOWNMKULRZLCMA-NSHDSACASA-N 0 3 242.319 0.940 20 0 BCADHN NC(=O)[C@H]1C[C@@H](NCc2ccnc(F)c2)C1 ZINC000858184807 588937728 /nfs/dbraw/zinc/93/77/28/588937728.db2.gz OZZHDLZRYKTRBL-DTORHVGOSA-N 0 3 223.251 0.574 20 0 BCADHN O=C(NCCNCc1ccnc(F)c1)C1CC1 ZINC000858087691 588931346 /nfs/dbraw/zinc/93/13/46/588931346.db2.gz RQKWVEIHMIVPKI-UHFFFAOYSA-N 0 3 237.278 0.837 20 0 BCADHN Fc1cc(CNCCN2CCOCC2)ccn1 ZINC000858086994 588931441 /nfs/dbraw/zinc/93/14/41/588931441.db2.gz QCWQQKNMDMKHBC-UHFFFAOYSA-N 0 3 239.294 0.643 20 0 BCADHN O=C(NCCCF)C1CN(C2CCOCC2)C1 ZINC000897047681 583873305 /nfs/dbraw/zinc/87/33/05/583873305.db2.gz NUEQQTVLVRZVOK-UHFFFAOYSA-N 0 3 244.310 0.573 20 0 BCADHN CN1CCN(C)CCN(c2cccnn2)CC1 ZINC000897095922 583879671 /nfs/dbraw/zinc/87/96/71/583879671.db2.gz XCQVAXPFMLAOQT-UHFFFAOYSA-N 0 3 235.335 0.160 20 0 BCADHN Nc1nc(N)nc(N2CC[C@@H]2C2CCCC2)n1 ZINC000897157518 583886546 /nfs/dbraw/zinc/88/65/46/583886546.db2.gz YXBVJEYJPMMAFS-MRVPVSSYSA-N 0 3 234.307 0.805 20 0 BCADHN OCCN1CCC[C@H]2[C@@H]1CCN2c1ncccn1 ZINC000897220886 583897267 /nfs/dbraw/zinc/89/72/67/583897267.db2.gz ZHIQLAHQVXULTF-RYUDHWBXSA-N 0 3 248.330 0.512 20 0 BCADHN Cc1nc(F)ccc1CN[C@H]1C[C@H](C(N)=O)C1 ZINC000858247117 588940225 /nfs/dbraw/zinc/94/02/25/588940225.db2.gz PXTNTNWPYVTAIT-MGCOHNPYSA-N 0 3 237.278 0.883 20 0 BCADHN CC/C=C(\F)C(=O)NC[C@](C)(O)CN(C)C ZINC000866921073 583910918 /nfs/dbraw/zinc/91/09/18/583910918.db2.gz KCUJKCVTNNHTRO-WDDYJBPVSA-N 0 3 232.299 0.679 20 0 BCADHN C[C@H]1[C@H](C)N(C(=O)[C@H]2CCCN2C)CCN1C ZINC000897297550 583911542 /nfs/dbraw/zinc/91/15/42/583911542.db2.gz JAQPXBKHQBURAP-SDDRHHMPSA-N 0 3 239.363 0.632 20 0 BCADHN c1cnc(NCCCNCc2cncnc2)nc1 ZINC000751507975 583912842 /nfs/dbraw/zinc/91/28/42/583912842.db2.gz XQMNEVVUZDTIFE-UHFFFAOYSA-N 0 3 244.302 0.858 20 0 BCADHN Cc1ccnn1CC(=O)NC1CCN(C)CC1 ZINC000143361359 583913474 /nfs/dbraw/zinc/91/34/74/583913474.db2.gz PHNZHGZUNUSIOC-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN O=C1CC[C@H]([NH2+]Cc2cncc([O-])c2)CCN1 ZINC000897315780 583918962 /nfs/dbraw/zinc/91/89/62/583918962.db2.gz RQCYSABPXSNNDI-JTQLQIEISA-N 0 3 235.287 0.546 20 0 BCADHN CN1CCOC[C@@H]1CNCc1ccnc(F)c1 ZINC000858277799 588941971 /nfs/dbraw/zinc/94/19/71/588941971.db2.gz MVGNFNZEACJVMR-NSHDSACASA-N 0 3 239.294 0.641 20 0 BCADHN COCCCN1CCN(CCCCO)CC1 ZINC000145245044 583931698 /nfs/dbraw/zinc/93/16/98/583931698.db2.gz QEVFZDRSTGJCNR-UHFFFAOYSA-N 0 3 230.352 0.413 20 0 BCADHN CC1(C)C[C@H](O)CN(C(=O)[C@H](N)C2CCC2)C1 ZINC000870983589 583933365 /nfs/dbraw/zinc/93/33/65/583933365.db2.gz XJPZOIMIXZUTSU-WDEREUQCSA-N 0 3 240.347 0.733 20 0 BCADHN Cc1nc(F)ccc1CN[C@@H]1CCOC[C@H]1O ZINC000858300716 588943529 /nfs/dbraw/zinc/94/35/29/588943529.db2.gz MSPDHIGZIXPMOM-GHMZBOCLSA-N 0 3 240.278 0.769 20 0 BCADHN COC(=O)[C@H]1[C@@H](CN[C@H]2C[C@H](CO)C2)C1(F)F ZINC000897357598 583937067 /nfs/dbraw/zinc/93/70/67/583937067.db2.gz LKDNVAVSJLVDDS-FNCVBFRFSA-N 0 3 249.257 0.401 20 0 BCADHN OCc1cc(NCCN2CCOCC2)ccn1 ZINC000858310715 588943873 /nfs/dbraw/zinc/94/38/73/588943873.db2.gz SJOQDBXNHIWWTD-UHFFFAOYSA-N 0 3 237.303 0.318 20 0 BCADHN CC(C)(O)C[C@@H](O)CNCc1ccoc1 ZINC000872198777 583948339 /nfs/dbraw/zinc/94/83/39/583948339.db2.gz AVBISAXPSKVSSE-SNVBAGLBSA-N 0 3 213.277 0.891 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000858319431 588944977 /nfs/dbraw/zinc/94/49/77/588944977.db2.gz KBVVIZPRDNYUPY-AATLWQCWSA-N 0 3 230.308 0.550 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H](C)COC(C)C ZINC000858320170 588945009 /nfs/dbraw/zinc/94/50/09/588945009.db2.gz YGMGFYBMGYIILQ-ZJUUUORDSA-N 0 3 232.324 0.798 20 0 BCADHN CNC(=O)C1CCN(c2ccnc(CO)c2)CC1 ZINC000858332488 588945924 /nfs/dbraw/zinc/94/59/24/588945924.db2.gz JEHUZGZYYQDUTE-UHFFFAOYSA-N 0 3 249.314 0.536 20 0 BCADHN CCON(CC)C(=O)CN[C@H]1CCO[C@@H]1C ZINC000858220130 588939248 /nfs/dbraw/zinc/93/92/48/588939248.db2.gz MGBOCLKQFONJQC-ZJUUUORDSA-N 0 3 230.308 0.553 20 0 BCADHN COC(OC)C(=O)NCCN1CCC[C@@H]1C ZINC000897429883 583973096 /nfs/dbraw/zinc/97/30/96/583973096.db2.gz KOLWDTKDZMWTCE-VIFPVBQESA-N 0 3 230.308 0.206 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)[C@H]1C[C@@H](O)C1 ZINC000897429891 583973114 /nfs/dbraw/zinc/97/31/14/583973114.db2.gz KULPSOGDRRHKGQ-GARJFASQSA-N 0 3 226.320 0.358 20 0 BCADHN CCON(CC)C(=O)CNC1CCOCC1 ZINC000858219836 588939465 /nfs/dbraw/zinc/93/94/65/588939465.db2.gz BOCGWXXHVLOKGB-UHFFFAOYSA-N 0 3 230.308 0.555 20 0 BCADHN C[C@@H]1CCN(CCNC(=O)NCC(C)(C)O)C1 ZINC000897433460 583973759 /nfs/dbraw/zinc/97/37/59/583973759.db2.gz WSDZCBWGFZQLMT-SNVBAGLBSA-N 0 3 243.351 0.398 20 0 BCADHN CCON(CC)C(=O)CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000858222157 588939550 /nfs/dbraw/zinc/93/95/50/588939550.db2.gz CMXJHODVFNCTDM-OUAUKWLOSA-N 0 3 244.335 0.942 20 0 BCADHN O[C@H](CNCc1ccnc(F)c1)[C@@H]1CCCO1 ZINC000858227299 588939655 /nfs/dbraw/zinc/93/96/55/588939655.db2.gz UIAFTZSQJXGXTE-MNOVXSKESA-N 0 3 240.278 0.850 20 0 BCADHN C[C@H](CO)N(C)C(=O)NCCN1CC[C@H](C)C1 ZINC000897441400 583984723 /nfs/dbraw/zinc/98/47/23/583984723.db2.gz DOVFWTJNHNQDGN-WDEREUQCSA-N 0 3 243.351 0.350 20 0 BCADHN C[C@H](O)CNC(=O)NCCN1CC[C@H](C)C1 ZINC000897447049 583986624 /nfs/dbraw/zinc/98/66/24/583986624.db2.gz NJGDSJQOBSKUJX-UWVGGRQHSA-N 0 3 229.324 0.008 20 0 BCADHN C[C@H]1CCN(CCNC(=O)N2CCCO2)C1 ZINC000897456102 583987751 /nfs/dbraw/zinc/98/77/51/583987751.db2.gz YZZLUDFPDCKMFQ-JTQLQIEISA-N 0 3 227.308 0.675 20 0 BCADHN C[C@@H](O)CNC(=O)NCCN1CC[C@@H](C)C1 ZINC000897455043 583987754 /nfs/dbraw/zinc/98/77/54/583987754.db2.gz NJGDSJQOBSKUJX-NXEZZACHSA-N 0 3 229.324 0.008 20 0 BCADHN CC[C@@H](O)CNC(=O)NCCN1CC[C@H](C)C1 ZINC000897465831 583988450 /nfs/dbraw/zinc/98/84/50/583988450.db2.gz IWWQQUIXCFXBGA-WDEREUQCSA-N 0 3 243.351 0.398 20 0 BCADHN C[C@@H](O)CCNC(=O)NCCN1CCC[C@H]1C ZINC000897482120 583992178 /nfs/dbraw/zinc/99/21/78/583992178.db2.gz LRPQMKOVGJUBDT-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN CNC(=O)CCNc1ccnc(CO)c1 ZINC000858354688 588948526 /nfs/dbraw/zinc/94/85/26/588948526.db2.gz FOYKSCAOWIDIJS-UHFFFAOYSA-N 0 3 209.249 0.122 20 0 BCADHN OCc1cc(NCCNc2cnccn2)ccn1 ZINC000858362364 588948851 /nfs/dbraw/zinc/94/88/51/588948851.db2.gz SPWUAPVILUKKLT-UHFFFAOYSA-N 0 3 245.286 0.888 20 0 BCADHN COCCN(CCN(C)C)C(=O)C[C@H](C)OC ZINC000729438412 584014078 /nfs/dbraw/zinc/01/40/78/584014078.db2.gz KWSALIXUIQACHF-NSHDSACASA-N 0 3 246.351 0.448 20 0 BCADHN C[C@@H](CO)SCC(=O)NC1CCN(C)CC1 ZINC000865357498 584016561 /nfs/dbraw/zinc/01/65/61/584016561.db2.gz ILBGTVMPAKLTLJ-VIFPVBQESA-N 0 3 246.376 0.311 20 0 BCADHN Cc1noc(CCNc2ccnc(CO)c2)n1 ZINC000858373957 588949594 /nfs/dbraw/zinc/94/95/94/588949594.db2.gz SULXQFIDHYGGQX-UHFFFAOYSA-N 0 3 234.259 0.920 20 0 BCADHN CC1CN(C(=O)C2CN(C3CCOCC3)C2)C1 ZINC000897578195 584020157 /nfs/dbraw/zinc/02/01/57/584020157.db2.gz LUIBIOWXNVBRQC-UHFFFAOYSA-N 0 3 238.331 0.576 20 0 BCADHN C/C=C/C(=O)N(CCOC)CCN(C)C ZINC000729629608 584020597 /nfs/dbraw/zinc/02/05/97/584020597.db2.gz PPVVTKZTQNGNSN-AATRIKPKSA-N 0 3 214.309 0.599 20 0 BCADHN C[C@@H](CNCc1cn[nH]c1)N1CCN(C)CC1 ZINC000729683166 584022631 /nfs/dbraw/zinc/02/26/31/584022631.db2.gz KDKHBHBQBVGUBP-NSHDSACASA-N 0 3 237.351 0.135 20 0 BCADHN CC(C)N1C[C@@H](Nc2ccnc(CO)c2)CC1=O ZINC000858385045 588950186 /nfs/dbraw/zinc/95/01/86/588950186.db2.gz ZECMSGQBVYMMKX-NSHDSACASA-N 0 3 249.314 0.995 20 0 BCADHN C[C@@H]1CC[C@@H](CN[C@@H]2CCCS(=O)(=O)C2)O1 ZINC000148718789 584034973 /nfs/dbraw/zinc/03/49/73/584034973.db2.gz QQODKRAZZKVYJK-MXWKQRLJSA-N 0 3 247.360 0.721 20 0 BCADHN C[C@H]1CN(Cc2cnc3n2CCC3)C[C@H]1O ZINC000897679408 584037337 /nfs/dbraw/zinc/03/73/37/584037337.db2.gz KDQVMXDUYLHNFB-GXSJLCMTSA-N 0 3 221.304 0.642 20 0 BCADHN C[C@@H]1CN(Cc2ccc(=O)[nH]c2)C[C@@H]1O ZINC000897680807 584038152 /nfs/dbraw/zinc/03/81/52/584038152.db2.gz WMSVHHXLXXPVPP-SCZZXKLOSA-N 0 3 208.261 0.600 20 0 BCADHN Cc1nn(C)cc1CN1C[C@@H](C)[C@H](O)C1 ZINC000897680458 584038291 /nfs/dbraw/zinc/03/82/91/584038291.db2.gz JZZYJHZWWVTQPM-LDYMZIIASA-N 0 3 209.293 0.541 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000897684212 584040284 /nfs/dbraw/zinc/04/02/84/584040284.db2.gz LESWFYMJBIDEND-PRHODGIISA-N 0 3 222.288 0.908 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)n1 ZINC000897684212 584040285 /nfs/dbraw/zinc/04/02/85/584040285.db2.gz LESWFYMJBIDEND-PRHODGIISA-N 0 3 222.288 0.908 20 0 BCADHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000897684213 584040310 /nfs/dbraw/zinc/04/03/10/584040310.db2.gz LESWFYMJBIDEND-QPUJVOFHSA-N 0 3 222.288 0.908 20 0 BCADHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@H](O)C2)n1 ZINC000897684213 584040311 /nfs/dbraw/zinc/04/03/11/584040311.db2.gz LESWFYMJBIDEND-QPUJVOFHSA-N 0 3 222.288 0.908 20 0 BCADHN COC[C@](C)(O)CNc1ccnc(CO)c1 ZINC000858408813 588952085 /nfs/dbraw/zinc/95/20/85/588952085.db2.gz XGRSGTVVHZESKT-LLVKDONJSA-N 0 3 226.276 0.383 20 0 BCADHN C[C@@H](CS(C)(=O)=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897814037 584046832 /nfs/dbraw/zinc/04/68/32/584046832.db2.gz HGBVYMXPNDZFMA-GSVPJAPCSA-N 0 3 245.344 0.185 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)C1 ZINC000897825434 584051905 /nfs/dbraw/zinc/05/19/05/584051905.db2.gz IBVDZRJOYSQMAT-USZNOCQGSA-N 0 3 238.331 0.574 20 0 BCADHN c1ncc(CN[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cn1 ZINC000897822984 584052149 /nfs/dbraw/zinc/05/21/49/584052149.db2.gz PUUUGQXTMKQSJY-LVEVGFFFSA-N 0 3 217.272 0.742 20 0 BCADHN Cn1nccc1CN[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897823158 584052223 /nfs/dbraw/zinc/05/22/23/584052223.db2.gz UECLSAXPAFGZSI-LVEVGFFFSA-N 0 3 219.288 0.686 20 0 BCADHN CC[C@](C)(CN[C@]1(C)CCNC1=O)OC ZINC000897869154 584055174 /nfs/dbraw/zinc/05/51/74/584055174.db2.gz PDMPYCVFIQOSRJ-GHMZBOCLSA-N 0 3 214.309 0.670 20 0 BCADHN CO[C@@H]1CCOC[C@H]1N[C@@H](C)Cn1cncn1 ZINC000897889710 584057722 /nfs/dbraw/zinc/05/77/22/584057722.db2.gz ZESFUCOSKGHEKX-HBNTYKKESA-N 0 3 240.307 0.060 20 0 BCADHN CN1CCC[C@@H]1C(=O)N1CC[C@@H](CCCO)C1 ZINC000897939978 584062657 /nfs/dbraw/zinc/06/26/57/584062657.db2.gz WFEXHGUDDMIZHT-VXGBXAGGSA-N 0 3 240.347 0.702 20 0 BCADHN C[C@H](N[C@H](CO)c1ccnn1C)C1CC1 ZINC000858434683 588954179 /nfs/dbraw/zinc/95/41/79/588954179.db2.gz MTMGCRMHLLULSR-WCBMZHEXSA-N 0 3 209.293 0.842 20 0 BCADHN COc1ncncc1CNC1CC(CCO)C1 ZINC000898010926 584071425 /nfs/dbraw/zinc/07/14/25/584071425.db2.gz QEXBZWRETOBTQR-UHFFFAOYSA-N 0 3 237.303 0.736 20 0 BCADHN C[C@@H]1CN(c2nc(N)nc(N)n2)C(C)(C)C1 ZINC000858432414 588954403 /nfs/dbraw/zinc/95/44/03/588954403.db2.gz SCZKNYBZINIQNN-LURJTMIESA-N 0 3 222.296 0.661 20 0 BCADHN C[C@H]1[C@@H](CO)CCCN1C(=O)[C@H]1CCCN1C ZINC000897983904 584072351 /nfs/dbraw/zinc/07/23/51/584072351.db2.gz NQVTYWBODVKZJY-QJPTWQEYSA-N 0 3 240.347 0.700 20 0 BCADHN O=C1C[C@@H](Nc2ccnc(CO)c2)CN1C1CC1 ZINC000858434483 588954575 /nfs/dbraw/zinc/95/45/75/588954575.db2.gz HVVZQNCEKNGMSO-SNVBAGLBSA-N 0 3 247.298 0.749 20 0 BCADHN COc1nn(C)cc1CNC1CCN(C)CC1 ZINC000898029544 584077533 /nfs/dbraw/zinc/07/75/33/584077533.db2.gz VLCKSNBCGGPSHS-UHFFFAOYSA-N 0 3 238.335 0.613 20 0 BCADHN CCn1cncc1CNCCCc1nnnn1C ZINC000898037516 584079161 /nfs/dbraw/zinc/07/91/61/584079161.db2.gz SKJNPLABYYQPKC-UHFFFAOYSA-N 0 3 249.322 0.149 20 0 BCADHN C=Cn1cc(CNCCCc2nnnn2C)cn1 ZINC000898038901 584079795 /nfs/dbraw/zinc/07/97/95/584079795.db2.gz SNCSKXOIIMJHIH-UHFFFAOYSA-N 0 3 247.306 0.230 20 0 BCADHN C[C@@H](CNc1ccnc(CO)c1)S(C)(=O)=O ZINC000858456545 588956344 /nfs/dbraw/zinc/95/63/44/588956344.db2.gz IIARPYZVBKPXGV-QMMMGPOBSA-N 0 3 244.316 0.419 20 0 BCADHN O[C@H](CCNCc1cn2cccnc2n1)C1CC1 ZINC000898197468 584097699 /nfs/dbraw/zinc/09/76/99/584097699.db2.gz GTHTYXLJALYIEB-GFCCVEGCSA-N 0 3 246.314 0.980 20 0 BCADHN C[C@@H](CS(C)(=O)=O)NCC[C@H](O)C1CC1 ZINC000898198474 584098465 /nfs/dbraw/zinc/09/84/65/584098465.db2.gz RFVMVHNFKLWQPY-WPRPVWTQSA-N 0 3 235.349 0.170 20 0 BCADHN CO[C@@H](C)[C@@H](C)NCc1cnc2n1CCOC2 ZINC000898264101 584103522 /nfs/dbraw/zinc/10/35/22/584103522.db2.gz SSWRPUVFKNFYID-ZJUUUORDSA-N 0 3 239.319 0.926 20 0 BCADHN CO[C@H](C)[C@H](C)NCc1cnc2n1CCOC2 ZINC000898264100 584103753 /nfs/dbraw/zinc/10/37/53/584103753.db2.gz SSWRPUVFKNFYID-VHSXEESVSA-N 0 3 239.319 0.926 20 0 BCADHN Nc1nc(N)nc(N2CCC[C@@H]2c2ncc[nH]2)n1 ZINC000858469519 588958092 /nfs/dbraw/zinc/95/80/92/588958092.db2.gz VPRDFUWEDWYZQO-ZCFIWIBFSA-N 0 3 246.278 0.101 20 0 BCADHN OCc1cc(N2CC[C@H](n3cncn3)C2)ccn1 ZINC000858490642 588960227 /nfs/dbraw/zinc/96/02/27/588960227.db2.gz ZXUDDZDQPDDYSN-LBPRGKRZSA-N 0 3 245.286 0.617 20 0 BCADHN CCCN(C)CC(=O)N1CC(N2CCCC2)C1 ZINC000898611582 584146619 /nfs/dbraw/zinc/14/66/19/584146619.db2.gz XSBBBQUFPFIPCV-UHFFFAOYSA-N 0 3 239.363 0.635 20 0 BCADHN C[C@H]1CC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000858502764 588960642 /nfs/dbraw/zinc/96/06/42/588960642.db2.gz QHIUSISNTJYBLW-WDSKDSINSA-N 0 3 208.269 0.637 20 0 BCADHN CN(C)CCN(C)C(=O)NCc1cn(C)cn1 ZINC000898626162 584147736 /nfs/dbraw/zinc/14/77/36/584147736.db2.gz BGHSUZJVBANBJC-UHFFFAOYSA-N 0 3 239.323 0.123 20 0 BCADHN COCCCN(CCO)c1ccnc(CO)c1 ZINC000858504338 588960779 /nfs/dbraw/zinc/96/07/79/588960779.db2.gz PQBCYSQXDNEECG-UHFFFAOYSA-N 0 3 240.303 0.409 20 0 BCADHN Nc1nc(N)nc(NC[C@@H]2CCC=CO2)n1 ZINC000858502700 588961075 /nfs/dbraw/zinc/96/10/75/588961075.db2.gz ODQKXSNTNMCVOP-LURJTMIESA-N 0 3 222.252 0.141 20 0 BCADHN CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000899222984 584183982 /nfs/dbraw/zinc/18/39/82/584183982.db2.gz BYWOVHXEQLONJM-HBNTYKKESA-N 0 3 248.330 0.724 20 0 BCADHN CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000899222984 584183983 /nfs/dbraw/zinc/18/39/83/584183983.db2.gz BYWOVHXEQLONJM-HBNTYKKESA-N 0 3 248.330 0.724 20 0 BCADHN CC1(C)CC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000858545094 588964079 /nfs/dbraw/zinc/96/40/79/588964079.db2.gz JRAIGNSYOIBFAB-YFKPBYRVSA-N 0 3 208.269 0.637 20 0 BCADHN Cn1cc(-c2cnc(N3CCNCC3)cn2)cn1 ZINC000899319927 584197039 /nfs/dbraw/zinc/19/70/39/584197039.db2.gz RBIDVZPBSVHKPT-UHFFFAOYSA-N 0 3 244.302 0.287 20 0 BCADHN Cc1cc([C@H](C)N[C@@H]2CCOC[C@H]2O)n(C)n1 ZINC000858553215 588965120 /nfs/dbraw/zinc/96/51/20/588965120.db2.gz ZUINLSMBDVCVKW-HOSYDEDBSA-N 0 3 239.319 0.529 20 0 BCADHN COCC(COC)Nc1ccnc(CO)c1 ZINC000858563194 588966066 /nfs/dbraw/zinc/96/60/66/588966066.db2.gz URVUJNJRMGAFKV-UHFFFAOYSA-N 0 3 226.276 0.647 20 0 BCADHN CC1(CO)CN(c2ccnc(CO)c2)C1 ZINC000858563147 588966370 /nfs/dbraw/zinc/96/63/70/588966370.db2.gz SSOXTJRECFOCRH-UHFFFAOYSA-N 0 3 208.261 0.393 20 0 BCADHN CCC[C@@H](C)C(=O)NCCN(C)CCO ZINC000899730088 584231184 /nfs/dbraw/zinc/23/11/84/584231184.db2.gz SAMSJZQNJLKWKP-SNVBAGLBSA-N 0 3 216.325 0.463 20 0 BCADHN Cc1cc(C(=O)NCCN(C)CCO)c(C)[nH]1 ZINC000899731725 584228132 /nfs/dbraw/zinc/22/81/32/584228132.db2.gz IEDKIPZNGRPCMC-UHFFFAOYSA-N 0 3 239.319 0.285 20 0 BCADHN CN(CCO)CCNC(=O)[C@H]1CC=CCC1 ZINC000899726335 584229732 /nfs/dbraw/zinc/22/97/32/584229732.db2.gz LEOSXXYHTIGYNL-NSHDSACASA-N 0 3 226.320 0.383 20 0 BCADHN CC(C)CC(=O)NCCN(C)CCO ZINC000899726292 584229747 /nfs/dbraw/zinc/22/97/47/584229747.db2.gz JSFHBWPKSNXFLI-UHFFFAOYSA-N 0 3 202.298 0.073 20 0 BCADHN CN(CCO)CCNC(=O)c1ccccc1 ZINC000899726583 584230049 /nfs/dbraw/zinc/23/00/49/584230049.db2.gz QUTUMKYFESYONZ-UHFFFAOYSA-N 0 3 222.288 0.341 20 0 BCADHN CCCCCCC(=O)NCCN(C)CCO ZINC000899729565 584230840 /nfs/dbraw/zinc/23/08/40/584230840.db2.gz KJAMVRKUWSXSPB-UHFFFAOYSA-N 0 3 230.352 0.997 20 0 BCADHN NC(=O)OCc1cn(CCN2CCCC2)nn1 ZINC000899730859 584231047 /nfs/dbraw/zinc/23/10/47/584231047.db2.gz OLNRCVPBYNWRSK-UHFFFAOYSA-N 0 3 239.279 0.383 20 0 BCADHN CC[C@H](C)C(=O)NCCN(C)CCO ZINC000899730399 584231161 /nfs/dbraw/zinc/23/11/61/584231161.db2.gz XQQWQQRUTLJWEJ-VIFPVBQESA-N 0 3 202.298 0.073 20 0 BCADHN CCCC[C@H](C)C(=O)NCCN(C)CCO ZINC000899736958 584231574 /nfs/dbraw/zinc/23/15/74/584231574.db2.gz BVQNYXZZBRVBDR-NSHDSACASA-N 0 3 230.352 0.853 20 0 BCADHN CC(C)[C@@H](F)C(=O)NCCN(C)CCO ZINC000899737194 584231691 /nfs/dbraw/zinc/23/16/91/584231691.db2.gz CSIWPBLWIWWRND-SECBINFHSA-N 0 3 220.288 0.021 20 0 BCADHN COCCC[C@@H](C)C(=O)NCCN(C)CCO ZINC000899736687 584231754 /nfs/dbraw/zinc/23/17/54/584231754.db2.gz PHTSUHSTWCGWSR-LLVKDONJSA-N 0 3 246.351 0.089 20 0 BCADHN Cc1ccc(C(=O)NCCN(C)CCO)nc1 ZINC000899736667 584231859 /nfs/dbraw/zinc/23/18/59/584231859.db2.gz OFXIRDKWYWOSHT-UHFFFAOYSA-N 0 3 237.303 0.044 20 0 BCADHN CC[C@@H](C)[C@@H](OC)C(=O)NCCN(C)CCO ZINC000899738147 584232420 /nfs/dbraw/zinc/23/24/20/584232420.db2.gz SZJVSXSGUUEAAU-GHMZBOCLSA-N 0 3 246.351 0.088 20 0 BCADHN CN(CCO)CCNC(=O)/C=C/c1ccc[nH]1 ZINC000899737404 584232762 /nfs/dbraw/zinc/23/27/62/584232762.db2.gz IHJPVYYJGKKQCF-SNAWJCMRSA-N 0 3 237.303 0.068 20 0 BCADHN CC(C)[C@@H]1C[C@@H]1C(=O)NCCN(C)CCO ZINC000899737447 584232771 /nfs/dbraw/zinc/23/27/71/584232771.db2.gz JRTFXZVVDGSKHN-QWRGUYRKSA-N 0 3 228.336 0.319 20 0 BCADHN CC[C@H](C)[C@H](OC)C(=O)NCCN(C)CCO ZINC000899738205 584232906 /nfs/dbraw/zinc/23/29/06/584232906.db2.gz SZJVSXSGUUEAAU-QWRGUYRKSA-N 0 3 246.351 0.088 20 0 BCADHN Cc1csc(C(=O)NCCN(C)CCO)c1 ZINC000899738635 584233187 /nfs/dbraw/zinc/23/31/87/584233187.db2.gz JODWYKUGQUDERC-UHFFFAOYSA-N 0 3 242.344 0.710 20 0 BCADHN C[C@@H](C(=O)NCCN(C)CCO)C(C)(F)F ZINC000899738699 584233699 /nfs/dbraw/zinc/23/36/99/584233699.db2.gz MDLUFHYCPBCIJG-QMMMGPOBSA-N 0 3 238.278 0.318 20 0 BCADHN CCO[C@@H](C(=O)NCCN(C)CCO)C(C)C ZINC000899741335 584234028 /nfs/dbraw/zinc/23/40/28/584234028.db2.gz QUXKJGGEYSDKDW-LLVKDONJSA-N 0 3 246.351 0.088 20 0 BCADHN CCCC(C)(C)C(=O)NCCN(C)CCO ZINC000899741103 584234189 /nfs/dbraw/zinc/23/41/89/584234189.db2.gz RSODEVAYJDTUNW-UHFFFAOYSA-N 0 3 230.352 0.853 20 0 BCADHN CN(CCO)CCNC(=O)[C@@H]1CCCC12CC2 ZINC000899742099 584234394 /nfs/dbraw/zinc/23/43/94/584234394.db2.gz YVPSHYYRMOAFIU-NSHDSACASA-N 0 3 240.347 0.607 20 0 BCADHN CCC[C@H](C)CC(=O)NCCN(C)CCO ZINC000899731978 584234484 /nfs/dbraw/zinc/23/44/84/584234484.db2.gz ATMPODKYKUJCLX-NSHDSACASA-N 0 3 230.352 0.853 20 0 BCADHN CCC[C@@H](C)CC(=O)NCCN(C)CCO ZINC000899731977 584234661 /nfs/dbraw/zinc/23/46/61/584234661.db2.gz ATMPODKYKUJCLX-LLVKDONJSA-N 0 3 230.352 0.853 20 0 BCADHN C[C@H]1CCC[C@H](C(=O)NCCN(C)CCO)C1 ZINC000899733557 584235017 /nfs/dbraw/zinc/23/50/17/584235017.db2.gz DAUWGILBDZQACM-RYUDHWBXSA-N 0 3 242.363 0.853 20 0 BCADHN C[C@@H]1CCC[C@@H](C(=O)NCCN(C)CCO)C1 ZINC000899733559 584235066 /nfs/dbraw/zinc/23/50/66/584235066.db2.gz DAUWGILBDZQACM-VXGBXAGGSA-N 0 3 242.363 0.853 20 0 BCADHN C[C@H]1CC/C(=C/C(=O)NCCN(C)CCO)C1 ZINC000899734333 584235557 /nfs/dbraw/zinc/23/55/57/584235557.db2.gz APQKMDDFKQUUNS-NIANNCQZSA-N 0 3 240.347 0.773 20 0 BCADHN NCc1cn(CCOC2CCSCC2)nn1 ZINC000899745775 584235608 /nfs/dbraw/zinc/23/56/08/584235608.db2.gz OMOYCMVMUDEORN-UHFFFAOYSA-N 0 3 242.348 0.649 20 0 BCADHN CN(CCO)CCNC(=O)CC1=CCCCC1 ZINC000899733874 584235838 /nfs/dbraw/zinc/23/58/38/584235838.db2.gz LRTZQJMOPGGQKY-UHFFFAOYSA-N 0 3 240.347 0.917 20 0 BCADHN CN(CCCF)C(=O)[C@H]1CN2CCN1CCC2 ZINC000899815994 584240480 /nfs/dbraw/zinc/24/04/80/584240480.db2.gz LNNXNEWIOVLPQI-LLVKDONJSA-N 0 3 243.326 0.194 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H](C)[C@@H]1CCCO1 ZINC000858578158 588968383 /nfs/dbraw/zinc/96/83/83/588968383.db2.gz HILZRBMQIUXDAI-GUBZILKMSA-N 0 3 230.308 0.552 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1CC[C@H]1C ZINC000858580060 588968760 /nfs/dbraw/zinc/96/87/60/588968760.db2.gz JTZSXUNKPIAMGM-VGMNWLOBSA-N 0 3 200.282 0.783 20 0 BCADHN CC[C@@H](COC)N[C@@H](C)C(=O)N(C)OC ZINC000858580093 588968820 /nfs/dbraw/zinc/96/88/20/588968820.db2.gz WAUURNMEANLYCX-IUCAKERBSA-N 0 3 218.297 0.409 20 0 BCADHN CC[C@H](COC)N[C@@H](C)C(=O)N(C)OC ZINC000858580090 588968873 /nfs/dbraw/zinc/96/88/73/588968873.db2.gz WAUURNMEANLYCX-DTWKUNHWSA-N 0 3 218.297 0.409 20 0 BCADHN CC(C)CCNC(=O)C[C@]1(O)CCCN(C)C1 ZINC000899921016 584252736 /nfs/dbraw/zinc/25/27/36/584252736.db2.gz YBEANGQQYNRKCY-CYBMUJFWSA-N 0 3 242.363 0.996 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CCSC1 ZINC000858583617 588969263 /nfs/dbraw/zinc/96/92/63/588969263.db2.gz DYPFZFAFFXPRIH-SFYZADRCSA-N 0 3 218.322 0.490 20 0 BCADHN COC(=O)CNC(=O)[C@@H]1CC[C@H]2CCCCN21 ZINC000899935000 584257552 /nfs/dbraw/zinc/25/75/52/584257552.db2.gz GJPCKOOVFGPIOG-ZJUUUORDSA-N 0 3 240.303 0.293 20 0 BCADHN CO[C@@H](C)[C@@H](C)N[C@H](C)C(=O)N(C)OC ZINC000858587897 588969589 /nfs/dbraw/zinc/96/95/89/588969589.db2.gz XXDVPKQTRSEABX-HLTSFMKQSA-N 0 3 218.297 0.408 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CC[C@@H]1C ZINC000858587190 588969664 /nfs/dbraw/zinc/96/96/64/588969664.db2.gz JTZSXUNKPIAMGM-YIZRAAEISA-N 0 3 200.282 0.783 20 0 BCADHN COC[C@H](N[C@H](C)C(=O)N(C)OC)C1CC1 ZINC000858587290 588969869 /nfs/dbraw/zinc/96/98/69/588969869.db2.gz PZXVXCXHWQOICS-SCZZXKLOSA-N 0 3 230.308 0.409 20 0 BCADHN C/C=C\[C@H](O)C(=O)NC1CCN(C)CC1 ZINC000900002392 584263174 /nfs/dbraw/zinc/26/31/74/584263174.db2.gz RMRXMBNRXWARGU-XOULXFPDSA-N 0 3 212.293 0.134 20 0 BCADHN CCC/C=C/[C@H](O)C(=O)NC1CCN(C)CC1 ZINC000900002471 584263226 /nfs/dbraw/zinc/26/32/26/584263226.db2.gz UVVPMZKMOFDSBH-FYJFLYSWSA-N 0 3 240.347 0.914 20 0 BCADHN C/C=C/[C@@H](O)C(=O)NC1CCN(CC)CC1 ZINC000900010412 584265194 /nfs/dbraw/zinc/26/51/94/584265194.db2.gz YKPOQHFOBZJSLT-JOAKQRRISA-N 0 3 226.320 0.524 20 0 BCADHN O=C(COC1CC1)NCCN1CCCC1 ZINC000900010751 584265478 /nfs/dbraw/zinc/26/54/78/584265478.db2.gz BBSZVGILIJYPEN-UHFFFAOYSA-N 0 3 212.293 0.377 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)CCF ZINC000900009965 584265574 /nfs/dbraw/zinc/26/55/74/584265574.db2.gz QVZDTCWQHUYRRC-SECBINFHSA-N 0 3 202.273 0.947 20 0 BCADHN CN1CCC[C@](O)(CC(=O)Nc2ccncc2)C1 ZINC000900011094 584266060 /nfs/dbraw/zinc/26/60/60/584266060.db2.gz JQCZEEJIARBXDQ-ZDUSSCGKSA-N 0 3 249.314 0.289 20 0 BCADHN O=C(CC1COC1)NCCN1CCCC1 ZINC000900011242 584266377 /nfs/dbraw/zinc/26/63/77/584266377.db2.gz PERVFMCRBGYNMR-UHFFFAOYSA-N 0 3 212.293 0.235 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1COC2(CCC2)C1 ZINC000858588852 588970283 /nfs/dbraw/zinc/97/02/83/588970283.db2.gz RVCSFZSJOQAORJ-NXEZZACHSA-N 0 3 242.319 0.696 20 0 BCADHN CC1(C)C[NH2+]C[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000900022005 584267604 /nfs/dbraw/zinc/26/76/04/584267604.db2.gz PAXNPGSLEHPXRL-QMMMGPOBSA-N 0 3 232.291 0.136 20 0 BCADHN CN1CCC[C@@](O)(CC(=O)Nc2ccccn2)C1 ZINC000900065145 584270298 /nfs/dbraw/zinc/27/02/98/584270298.db2.gz AQFLHSKBAYWWEH-CYBMUJFWSA-N 0 3 249.314 0.867 20 0 BCADHN CCN1C[C@H](CNc2ccnc(CO)c2)CC1=O ZINC000858605714 588970571 /nfs/dbraw/zinc/97/05/71/588970571.db2.gz XHKMFUYLZQYKOS-JTQLQIEISA-N 0 3 249.314 0.854 20 0 BCADHN CC(C)N(C)C(=O)c1ccnn1CCN(C)C ZINC000900119785 584274762 /nfs/dbraw/zinc/27/47/62/584274762.db2.gz WKLWEHAIEUPYMT-UHFFFAOYSA-N 0 3 238.335 0.925 20 0 BCADHN C[C@@H](CNC(=O)CC1COC1)N(C)C ZINC000900163606 584281597 /nfs/dbraw/zinc/28/15/97/584281597.db2.gz RKUXRCHFPLFAIY-QMMMGPOBSA-N 0 3 200.282 0.089 20 0 BCADHN C[C@H](CNC(=O)CC1COC1)N(C)C ZINC000900163605 584281866 /nfs/dbraw/zinc/28/18/66/584281866.db2.gz RKUXRCHFPLFAIY-MRVPVSSYSA-N 0 3 200.282 0.089 20 0 BCADHN COC(=O)C(C)(C)NC(=O)C12CCN(CC1)C2 ZINC000900170505 584282531 /nfs/dbraw/zinc/28/25/31/584282531.db2.gz LLQVKGKKMNXTKO-UHFFFAOYSA-N 0 3 240.303 0.150 20 0 BCADHN O=C(CCF)NCCN1CCCCC1 ZINC000900207018 584286108 /nfs/dbraw/zinc/28/61/08/584286108.db2.gz ISCRCDUUFCYOSU-UHFFFAOYSA-N 0 3 202.273 0.948 20 0 BCADHN CN(C[C@@H]1COCCO1)c1ccnc(CO)c1 ZINC000858626486 588971796 /nfs/dbraw/zinc/97/17/96/588971796.db2.gz FBYNUGQESKHCEU-GFCCVEGCSA-N 0 3 238.287 0.426 20 0 BCADHN OCc1cc(NCCOCCF)ccn1 ZINC000858635657 588972189 /nfs/dbraw/zinc/97/21/89/588972189.db2.gz OSUBHUWTJFLNRA-UHFFFAOYSA-N 0 3 214.240 0.972 20 0 BCADHN CN(CCNC(=O)/C=C\Cn1cncn1)C1CC1 ZINC000900367090 584296821 /nfs/dbraw/zinc/29/68/21/584296821.db2.gz KKDGJYZDJDQCCI-IHWYPQMZSA-N 0 3 249.318 0.045 20 0 BCADHN C/C=C\[C@H](O)C(=O)NCCN(C)C1CC1 ZINC000900368015 584297545 /nfs/dbraw/zinc/29/75/45/584297545.db2.gz YGTKTXDZMJJLHV-XOULXFPDSA-N 0 3 212.293 0.134 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000900372423 584298127 /nfs/dbraw/zinc/29/81/27/584298127.db2.gz SVUPAUARITWCTE-FOGDFJRCSA-N 0 3 240.347 0.746 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000900371918 584298403 /nfs/dbraw/zinc/29/84/03/584298403.db2.gz KVNQKYHFBNRFIS-JJHDRXPHSA-N 0 3 224.304 0.276 20 0 BCADHN O=C(CCF)N[C@H]1CCN(C2CC2)C1 ZINC000900372084 584298586 /nfs/dbraw/zinc/29/85/86/584298586.db2.gz OBZSYVRIYBYBTF-QMMMGPOBSA-N 0 3 200.257 0.699 20 0 BCADHN C/C=C\[C@H](O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000900520199 584321083 /nfs/dbraw/zinc/32/10/83/584321083.db2.gz OIQWZBACKINAQZ-COGOEBJDSA-N 0 3 238.331 0.620 20 0 BCADHN C/C=C\[C@H](O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000900531319 584323018 /nfs/dbraw/zinc/32/30/18/584323018.db2.gz YXAGOFPOZUEPKE-FPNIURKZSA-N 0 3 226.320 0.476 20 0 BCADHN CC[C@H](O)[C@H](C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000900542229 584324681 /nfs/dbraw/zinc/32/46/81/584324681.db2.gz HHUUURITIFSGEJ-SCVCMEIPSA-N 0 3 242.363 0.992 20 0 BCADHN C/C=C\[C@H](O)C(=O)N1CCCC[C@H]1CN(C)C ZINC000900563935 584325536 /nfs/dbraw/zinc/32/55/36/584325536.db2.gz ROCIHYICVWPIPV-OCWOOEOGSA-N 0 3 240.347 0.866 20 0 BCADHN C/C=C/[C@H](O)C(=O)N(C)CC1CCN(C)CC1 ZINC000900575369 584327485 /nfs/dbraw/zinc/32/74/85/584327485.db2.gz VMZVKWBJIIGFJY-ITKZLYELSA-N 0 3 240.347 0.724 20 0 BCADHN CCN1CCC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000900588685 584329119 /nfs/dbraw/zinc/32/91/19/584329119.db2.gz GESPZLLNOXTDHQ-SNVBAGLBSA-N 0 3 236.319 0.553 20 0 BCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CCF ZINC000900585054 584331849 /nfs/dbraw/zinc/33/18/49/584331849.db2.gz HFEOFSKASDRVOY-LLVKDONJSA-N 0 3 246.326 0.915 20 0 BCADHN COC/C(C)=C\Cn1cc(CCN(C)C)nn1 ZINC000900642286 584332332 /nfs/dbraw/zinc/33/23/32/584332332.db2.gz HAVKGGRMWXHHTC-WZUFQYTHSA-N 0 3 238.335 0.975 20 0 BCADHN O=C(CC1COC1)N[C@H]1CCN(CC2CC2)C1 ZINC000900628454 584333660 /nfs/dbraw/zinc/33/36/60/584333660.db2.gz ZYHKXUFQXVYHOS-LBPRGKRZSA-N 0 3 238.331 0.623 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000900628148 584333785 /nfs/dbraw/zinc/33/37/85/584333785.db2.gz WWSOOWWTORVIMW-QVWGBTSJSA-N 0 3 238.331 0.524 20 0 BCADHN O=C(Cc1c[nH]cn1)N[C@@H]1CCN(CC2CC2)C1 ZINC000900627110 584333833 /nfs/dbraw/zinc/33/38/33/584333833.db2.gz LZPZIITWFWSPIZ-LLVKDONJSA-N 0 3 248.330 0.553 20 0 BCADHN CCN1CCCN(C(=O)[C@@H]2C[C@@H](C)CO2)CC1 ZINC000900634011 584334049 /nfs/dbraw/zinc/33/40/49/584334049.db2.gz PYLUCYQGAORBRS-NEPJUHHUSA-N 0 3 240.347 0.966 20 0 BCADHN C/C=C/[C@H](O)C(=O)N1CCCN(CC)CC1 ZINC000900632880 584334212 /nfs/dbraw/zinc/33/42/12/584334212.db2.gz KOZRVYYQBZNJNN-GQOHGMTASA-N 0 3 226.320 0.478 20 0 BCADHN CC[C@H](O)[C@@H](C)C(=O)NC[C@H]1CCCN(C)C1 ZINC000900631191 584334249 /nfs/dbraw/zinc/33/42/49/584334249.db2.gz XUNHDHYWVFZKHJ-UTUOFQBUSA-N 0 3 242.363 0.851 20 0 BCADHN CN(C(=O)Cc1cnc[nH]1)[C@H]1CN2CCC1CC2 ZINC000900659819 584337082 /nfs/dbraw/zinc/33/70/82/584337082.db2.gz AGSNGJJUVGXZTQ-LBPRGKRZSA-N 0 3 248.330 0.505 20 0 BCADHN C/C=C/[C@H](O)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000900665686 584337661 /nfs/dbraw/zinc/33/76/61/584337661.db2.gz QZHWTBYJWIDMST-QSKOYVBTSA-N 0 3 238.331 0.619 20 0 BCADHN Cc1ncc(C(=O)NC[C@H]2CCCN2C)n1C ZINC000900694468 584338711 /nfs/dbraw/zinc/33/87/11/584338711.db2.gz HQUURAOLOPAIOO-SNVBAGLBSA-N 0 3 236.319 0.553 20 0 BCADHN CN1CCC[C@H]1CNC(=O)/C=C/Cn1cncn1 ZINC000900695882 584339050 /nfs/dbraw/zinc/33/90/50/584339050.db2.gz RNLAJVVLTGNFLW-TZNOJPMFSA-N 0 3 249.318 0.045 20 0 BCADHN C/C=C\[C@H](O)C(=O)NCCN(C)CCCC ZINC000900671962 584339524 /nfs/dbraw/zinc/33/95/24/584339524.db2.gz GYKMLGXUVAEHRL-XOIDGJRKSA-N 0 3 228.336 0.772 20 0 BCADHN C[C@@H](CNC(=O)CCF)CN1CCN(C)CC1 ZINC000900693420 584341841 /nfs/dbraw/zinc/34/18/41/584341841.db2.gz RTCSLDCAGZCOSQ-NSHDSACASA-N 0 3 245.342 0.346 20 0 BCADHN Cc1ccnn1CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000858765582 588976269 /nfs/dbraw/zinc/97/62/69/588976269.db2.gz CRPLZVQCQYDMBH-NSHDSACASA-N 0 3 248.330 0.544 20 0 BCADHN CN(C[C@H]1CCCN(C)C1)C(=O)CC1COC1 ZINC000900725343 584345074 /nfs/dbraw/zinc/34/50/74/584345074.db2.gz JZSOXRQAIUHULQ-NSHDSACASA-N 0 3 240.347 0.823 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@H](CC)CN1CCCC1 ZINC000900731061 584346934 /nfs/dbraw/zinc/34/69/34/584346934.db2.gz IYIPRKNQQONJDJ-HNFQPOCMSA-N 0 3 240.347 0.914 20 0 BCADHN 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ZINC000903060267 584722924 /nfs/dbraw/zinc/72/29/24/584722924.db2.gz VAOQXXUPJMRURF-JQWIXIFHSA-N 0 3 242.319 0.049 20 0 BCADHN CCCSC[C@H](C)N[C@@H]1COC[C@H]1O ZINC000903185547 584733546 /nfs/dbraw/zinc/73/35/46/584733546.db2.gz FCJDAKIRVCIRLO-IVZWLZJFSA-N 0 3 219.350 0.867 20 0 BCADHN CO[C@@H]1CCC[C@@H]1NCCS(=O)(=O)C1CC1 ZINC000903189964 584736025 /nfs/dbraw/zinc/73/60/25/584736025.db2.gz MBAGVNCOADEDSA-WDEREUQCSA-N 0 3 247.360 0.721 20 0 BCADHN CO[C@H]1CCC[C@@H]1NCCS(=O)(=O)C1CC1 ZINC000903189963 584736152 /nfs/dbraw/zinc/73/61/52/584736152.db2.gz MBAGVNCOADEDSA-QWRGUYRKSA-N 0 3 247.360 0.721 20 0 BCADHN CO[C@@H]1CCC[C@H]1N[C@H](CO)c1ccnn1C ZINC000903205337 584736332 /nfs/dbraw/zinc/73/63/32/584736332.db2.gz HCFDOILDWGVDAO-CKYFFXLPSA-N 0 3 239.319 0.611 20 0 BCADHN COC1(OC)CC[C@H]1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903286458 584745440 /nfs/dbraw/zinc/74/54/40/584745440.db2.gz JZYXWJSJYIPLOX-OWSRUXPGSA-N 0 3 239.315 0.903 20 0 BCADHN C[C@@H](NCCCc1nnnn1C)c1ncc[nH]1 ZINC000903348360 584753624 /nfs/dbraw/zinc/75/36/24/584753624.db2.gz ATADREBKMBFPKR-MRVPVSSYSA-N 0 3 235.295 0.217 20 0 BCADHN COC1(OC)CC[C@@H]1NC1CC(CCO)C1 ZINC000903332449 584754725 /nfs/dbraw/zinc/75/47/25/584754725.db2.gz JJHVUBQWQOUQGI-ILDUYXDCSA-N 0 3 229.320 0.889 20 0 BCADHN C[C@H](NCCCc1nnnn1C)c1cn(C)cn1 ZINC000903351104 584755492 /nfs/dbraw/zinc/75/54/92/584755492.db2.gz HOYQKFLQYPVLKJ-VIFPVBQESA-N 0 3 249.322 0.227 20 0 BCADHN CCN1CCC[C@H](N[C@H]2CN(C)C[C@@H]2C)C1=O ZINC000903392610 584756082 /nfs/dbraw/zinc/75/60/82/584756082.db2.gz VHYVSPGBAPNVFH-SRVKXCTJSA-N 0 3 239.363 0.537 20 0 BCADHN C[C@H](N[C@H]1COC[C@@H]1C1CC1)c1cnnn1C ZINC000903441228 584763357 /nfs/dbraw/zinc/76/33/57/584763357.db2.gz ZORNTDDBHBGKAZ-GDPRMGEGSA-N 0 3 236.319 0.891 20 0 BCADHN FC(F)[C@@H]1CNCCN1Cc1cnns1 ZINC000903451950 584772256 /nfs/dbraw/zinc/77/22/56/584772256.db2.gz FUYCJLYMZRTZOB-ZETCQYMHSA-N 0 3 234.275 0.577 20 0 BCADHN [NH3+]C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccn2)C1 ZINC000903569363 584783622 /nfs/dbraw/zinc/78/36/22/584783622.db2.gz JEPGXKZDFUAKDT-KYZUINATSA-N 0 3 241.316 0.097 20 0 BCADHN CCn1cc(CN2CCNC[C@H]2C(F)F)nn1 ZINC000903748939 584795129 /nfs/dbraw/zinc/79/51/29/584795129.db2.gz DNEWHEQJCASULH-VIFPVBQESA-N 0 3 245.277 0.337 20 0 BCADHN Cc1cnc(CN2CC[C@@H](F)[C@H](N)C2)nc1 ZINC000903765467 584797668 /nfs/dbraw/zinc/79/76/68/584797668.db2.gz HUSJETVYXBEQOO-NXEZZACHSA-N 0 3 224.283 0.656 20 0 BCADHN Cc1c[nH]nc1CNCc1cc(N)ccn1 ZINC000903954077 584831476 /nfs/dbraw/zinc/83/14/76/584831476.db2.gz PRFWUIMPGBJYKA-UHFFFAOYSA-N 0 3 217.276 0.985 20 0 BCADHN C[C@@H](O)C(C)(C)NCc1ccc(N)nn1 ZINC000904328407 584865456 /nfs/dbraw/zinc/86/54/56/584865456.db2.gz DMHKQWJUPZDPGO-SSDOTTSWSA-N 0 3 210.281 0.308 20 0 BCADHN CC(C)(CCO)NCc1ccc(N)nn1 ZINC000904330042 584865925 /nfs/dbraw/zinc/86/59/25/584865925.db2.gz XNECJJWBEZHFMZ-UHFFFAOYSA-N 0 3 210.281 0.309 20 0 BCADHN CC(C)(C)[C@H](CO)NCc1ccc(N)nn1 ZINC000904340642 584866766 /nfs/dbraw/zinc/86/67/66/584866766.db2.gz KKWAOGPNBVQHHU-VIFPVBQESA-N 0 3 224.308 0.555 20 0 BCADHN CCN1C[C@@H](C)N(Cc2ccc(N)nn2)C[C@@H]1C ZINC000904340409 584866821 /nfs/dbraw/zinc/86/68/21/584866821.db2.gz INZVRZNXTLDYFJ-WDEREUQCSA-N 0 3 249.362 0.973 20 0 BCADHN CC[C@@]1(CO)CCCN1Cc1ccc(N)nn1 ZINC000904341098 584867319 /nfs/dbraw/zinc/86/73/19/584867319.db2.gz PKLKUMFPYPRTGV-LBPRGKRZSA-N 0 3 236.319 0.796 20 0 BCADHN Nc1ccc(CNC[C@H]2CCCCO2)nn1 ZINC000904368381 584872762 /nfs/dbraw/zinc/87/27/62/584872762.db2.gz QTLZSZAULUKOFK-SNVBAGLBSA-N 0 3 222.292 0.718 20 0 BCADHN Nc1ccc(CNC[C@@H]2CCCO2)nn1 ZINC000904363851 584874458 /nfs/dbraw/zinc/87/44/58/584874458.db2.gz DGUMDWWKWKFWQN-VIFPVBQESA-N 0 3 208.265 0.327 20 0 BCADHN Cc1ccc(CCCN[C@@H]2CNOC2)cn1 ZINC000904424398 584881171 /nfs/dbraw/zinc/88/11/71/584881171.db2.gz RTVXIMPNRPIHCQ-GFCCVEGCSA-N 0 3 221.304 0.816 20 0 BCADHN O=C([N-][C@H]1CC[NH2+]C1)C(F)(F)C1CCOCC1 ZINC000876509669 584885731 /nfs/dbraw/zinc/88/57/31/584885731.db2.gz GEAXFVHGSWSWIJ-VIFPVBQESA-N 0 3 248.273 0.526 20 0 BCADHN O=C(c1cnc2nccn2c1)N1CCCNCC1 ZINC000876506319 584885779 /nfs/dbraw/zinc/88/57/79/584885779.db2.gz RJYXDZDCDLKJIB-UHFFFAOYSA-N 0 3 245.286 0.165 20 0 BCADHN CCOC(=O)C1=CC[C@H](NC(=O)C(C)(C)N)C1 ZINC000877025969 584888905 /nfs/dbraw/zinc/88/89/05/584888905.db2.gz BJSICLVYIHYCMR-VIFPVBQESA-N 0 3 240.303 0.492 20 0 BCADHN CCONC(=O)NCCN(CC)C1CC1 ZINC000104778092 584897184 /nfs/dbraw/zinc/89/71/84/584897184.db2.gz ZTFDKQHAHHVYQA-UHFFFAOYSA-N 0 3 215.297 0.721 20 0 BCADHN O=C(NCCc1ccncc1)[C@]1(F)CCNC1 ZINC000827485788 584898869 /nfs/dbraw/zinc/89/88/69/584898869.db2.gz XMCGVYRROWVVFZ-LBPRGKRZSA-N 0 3 237.278 0.442 20 0 BCADHN CC[C@@H](C(=O)N(CC)CCC(=O)NC)N(C)C ZINC000888266847 584907045 /nfs/dbraw/zinc/90/70/45/584907045.db2.gz AKZPAQPZGZZEBG-JTQLQIEISA-N 0 3 243.351 0.311 20 0 BCADHN C[C@H](N)C(=O)N[C@@H](C)[C@H](O)c1cccc(F)c1 ZINC000832120373 584911043 /nfs/dbraw/zinc/91/10/43/584911043.db2.gz CATMBVCPIONZBQ-LAEOZQHASA-N 0 3 240.278 0.711 20 0 BCADHN COCCN1CC[C@@H](NC(=O)C[C@H](C)OC)C1 ZINC000730789426 584915836 /nfs/dbraw/zinc/91/58/36/584915836.db2.gz NAMBGVUHHIASCS-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN CC(C)c1nccc(NC[C@H](O)CN(C)C)n1 ZINC000731920408 584931526 /nfs/dbraw/zinc/93/15/26/584931526.db2.gz HJSUJDKUZISWMK-JTQLQIEISA-N 0 3 238.335 0.934 20 0 BCADHN COC[C@H](O)CN1CCCC[C@H]1C1OCCO1 ZINC000732694973 584940076 /nfs/dbraw/zinc/94/00/76/584940076.db2.gz HALYDYPQRCWRJF-MNOVXSKESA-N 0 3 245.319 0.221 20 0 BCADHN CCCCCN(CCO)CCN1CCOC1=O ZINC000732871784 584941606 /nfs/dbraw/zinc/94/16/06/584941606.db2.gz NCAGFPLPUBCFSE-UHFFFAOYSA-N 0 3 244.335 0.923 20 0 BCADHN CNC(=O)C1(NCCC(=O)N(C)C)CCCC1 ZINC000733998923 584956255 /nfs/dbraw/zinc/95/62/55/584956255.db2.gz GVYVYDQQQPMSLH-UHFFFAOYSA-N 0 3 241.335 0.113 20 0 BCADHN CC(C)(O)CN1CCN(C[C@H](O)C2CC2)CC1 ZINC000734150206 584957830 /nfs/dbraw/zinc/95/78/30/584957830.db2.gz SABNJMDNKYVTKD-LBPRGKRZSA-N 0 3 242.363 0.146 20 0 BCADHN CN(C(=O)C1=COCC1)[C@@H]1CN2CCC1CC2 ZINC000734127903 584958685 /nfs/dbraw/zinc/95/86/85/584958685.db2.gz IAGPBNAZVMBKJD-GFCCVEGCSA-N 0 3 236.315 0.843 20 0 BCADHN NC(=O)c1cccc(CN[C@H](CO)C2CC2)c1 ZINC000734164860 584959092 /nfs/dbraw/zinc/95/90/92/584959092.db2.gz QGUDGDKLEWPIKO-GFCCVEGCSA-N 0 3 234.299 0.646 20 0 BCADHN C[C@H]1C[C@H](NC(=O)CC2COC2)CN1C1CC1 ZINC000769713490 584969272 /nfs/dbraw/zinc/96/92/72/584969272.db2.gz NSCFMSYJTOQVAA-ONGXEEELSA-N 0 3 238.331 0.764 20 0 BCADHN O=C(NC1CCN(C2CC2)CC1)c1ncccn1 ZINC000735843352 584982894 /nfs/dbraw/zinc/98/28/94/584982894.db2.gz VQJHCLDEWDBQJS-UHFFFAOYSA-N 0 3 246.314 0.833 20 0 BCADHN CCN(CCS(N)(=O)=O)C1CCCCC1 ZINC000735883949 584983333 /nfs/dbraw/zinc/98/33/33/584983333.db2.gz QJFRAHFAXMSBGO-UHFFFAOYSA-N 0 3 234.365 0.930 20 0 BCADHN CCCN(CCS(N)(=O)=O)CC1CC1 ZINC000735883988 584983500 /nfs/dbraw/zinc/98/35/00/584983500.db2.gz RVXPHXJCOYYORT-UHFFFAOYSA-N 0 3 220.338 0.397 20 0 BCADHN CCN(CC)CC(=O)NCc1nonc1C ZINC000736153997 584991073 /nfs/dbraw/zinc/99/10/73/584991073.db2.gz XILUOKGLDBSZOQ-UHFFFAOYSA-N 0 3 226.280 0.336 20 0 BCADHN CNC(=O)[C@H]1CCCN(C[C@H]2CCC(=O)O2)C1 ZINC000821374904 585015988 /nfs/dbraw/zinc/01/59/88/585015988.db2.gz RJBRMJSTLZGJDN-VHSXEESVSA-N 0 3 240.303 0.150 20 0 BCADHN CNC(=O)[C@@H]1CCCN(C[C@H]2CCC(=O)O2)C1 ZINC000821374886 585016127 /nfs/dbraw/zinc/01/61/27/585016127.db2.gz RJBRMJSTLZGJDN-NXEZZACHSA-N 0 3 240.303 0.150 20 0 BCADHN CCN(CCN1CCCCC1)CC(=O)NC ZINC000736943801 585019575 /nfs/dbraw/zinc/01/95/75/585019575.db2.gz BRTMIURYGLPLSZ-UHFFFAOYSA-N 0 3 227.352 0.540 20 0 BCADHN CO[C@H]1C[C@@H](OC(=O)C2CCN(C)C2=O)C1 ZINC000809111909 585030589 /nfs/dbraw/zinc/03/05/89/585030589.db2.gz AAGBVPZUYXJFDB-YIZRAAEISA-N 0 3 227.260 0.185 20 0 BCADHN Cc1[nH]nc(CN[C@H]2CCCCNC2=O)c1C ZINC000885920430 585030604 /nfs/dbraw/zinc/03/06/04/585030604.db2.gz ABAMPPTXXKPHBJ-JTQLQIEISA-N 0 3 236.319 0.785 20 0 BCADHN CCONC(=O)NC[C@@H]1CCCN1CCCO ZINC000838555837 585060306 /nfs/dbraw/zinc/06/03/06/585060306.db2.gz IWEGLGGAJNZLPH-JTQLQIEISA-N 0 3 245.323 0.084 20 0 BCADHN CCONC(=O)NC(C)(C)CN(C)C ZINC000838556528 585060344 /nfs/dbraw/zinc/06/03/44/585060344.db2.gz NWGVDXKXMAXDHP-UHFFFAOYSA-N 0 3 203.286 0.577 20 0 BCADHN CSCCONC(=O)NC(C)(C)CN(C)C ZINC000838574275 585060993 /nfs/dbraw/zinc/06/09/93/585060993.db2.gz CLOVDWHQLUXGNW-UHFFFAOYSA-N 0 3 249.380 0.920 20 0 BCADHN C[C@@H](CNC(=O)N[C@](C)(CO)C1CC1)N(C)C ZINC000838682686 585064888 /nfs/dbraw/zinc/06/48/88/585064888.db2.gz BRRZTQYWDJEMJJ-JOYOIKCWSA-N 0 3 243.351 0.397 20 0 BCADHN CCCNC(=O)CN(CCC)C[C@@H](O)C1CC1 ZINC000838793397 585068506 /nfs/dbraw/zinc/06/85/06/585068506.db2.gz MUJIMJIRMFVSKV-GFCCVEGCSA-N 0 3 242.363 0.996 20 0 BCADHN CN(C)C(=O)[C@@H]1CCCN1C[C@H](O)C1CC1 ZINC000838791772 585070742 /nfs/dbraw/zinc/07/07/42/585070742.db2.gz VJNDMZAQUAAZJG-QWRGUYRKSA-N 0 3 226.320 0.310 20 0 BCADHN O[C@@H](CN1CCCC[C@@H]1C1OCCO1)C1CC1 ZINC000838816185 585071353 /nfs/dbraw/zinc/07/13/53/585071353.db2.gz CVBMYNVRQKTFBT-NEPJUHHUSA-N 0 3 241.331 0.985 20 0 BCADHN O=C(NC1CC1)[C@H]1CCCN1C[C@H](O)C1CC1 ZINC000838845770 585074589 /nfs/dbraw/zinc/07/45/89/585074589.db2.gz JJIYBIKHUZLZBZ-NEPJUHHUSA-N 0 3 238.331 0.500 20 0 BCADHN CCn1ncc(CNC[C@H](C2CC2)N(C)C)n1 ZINC000838907774 585077508 /nfs/dbraw/zinc/07/75/08/585077508.db2.gz WMOBKNHGVGNISG-GFCCVEGCSA-N 0 3 237.351 0.728 20 0 BCADHN CC(C)C(=O)NCCN(C)C[C@@H](O)C1CC1 ZINC000838910015 585077787 /nfs/dbraw/zinc/07/77/87/585077787.db2.gz YIGRGMJEADRPTM-LLVKDONJSA-N 0 3 228.336 0.461 20 0 BCADHN CC(C)OC[C@@H](CO)N(C)C[C@H](O)C1CC1 ZINC000838971507 585083034 /nfs/dbraw/zinc/08/30/34/585083034.db2.gz MGQQBYFJNOSPGC-NEPJUHHUSA-N 0 3 231.336 0.475 20 0 BCADHN CCn1ncc(CN[C@H]2CN(C)C[C@H]2C)n1 ZINC000838977908 585083844 /nfs/dbraw/zinc/08/38/44/585083844.db2.gz URHITHLCMHWJCH-KOLCDFICSA-N 0 3 223.324 0.338 20 0 BCADHN CCn1ncc(CNCCN2CCCCC2)n1 ZINC000838988083 585084845 /nfs/dbraw/zinc/08/48/45/585084845.db2.gz ZNORJITYHLXIBN-UHFFFAOYSA-N 0 3 237.351 0.874 20 0 BCADHN CN1CCC[C@@H]1CNC(=O)Nc1cnsn1 ZINC000839113192 585091879 /nfs/dbraw/zinc/09/18/79/585091879.db2.gz QVFWYVCRLSCXAW-SSDOTTSWSA-N 0 3 241.320 0.754 20 0 BCADHN CN(C)CC(C)(C)NC(=O)Nc1cnsn1 ZINC000839125760 585093095 /nfs/dbraw/zinc/09/30/95/585093095.db2.gz GGIAKHBQHHRLSP-UHFFFAOYSA-N 0 3 243.336 1.000 20 0 BCADHN CCCCCC[C@H](O)CN1C[C@H](O)[C@@H](CO)C1 ZINC000839174614 585096538 /nfs/dbraw/zinc/09/65/38/585096538.db2.gz ZZXKEWKHWDEYOL-AGIUHOORSA-N 0 3 245.363 0.603 20 0 BCADHN CO[C@@H]1COC[C@@H]1NC[C@@H]1CCC=CO1 ZINC000839196635 585098798 /nfs/dbraw/zinc/09/87/98/585098798.db2.gz WOKYCTMENUTOPR-GARJFASQSA-N 0 3 213.277 0.683 20 0 BCADHN CCN1CCC[C@@H]1CNC(=O)c1nccn1C ZINC000741259267 585112054 /nfs/dbraw/zinc/11/20/54/585112054.db2.gz DWBJUANBFOUGHJ-SNVBAGLBSA-N 0 3 236.319 0.634 20 0 BCADHN CN(C)[C@H]1CCCN(C(=O)c2nccn2C)C1 ZINC000741261406 585112071 /nfs/dbraw/zinc/11/20/71/585112071.db2.gz MNWOWNYYVFVLRE-JTQLQIEISA-N 0 3 236.319 0.586 20 0 BCADHN C[C@H](CNC(=O)c1nccn1C)N(C)C1CC1 ZINC000741262574 585112291 /nfs/dbraw/zinc/11/22/91/585112291.db2.gz XNYOYNGPEWLBHL-SECBINFHSA-N 0 3 236.319 0.633 20 0 BCADHN COCCCN(C)CCNC(=S)NC1CC1 ZINC000741506519 585115073 /nfs/dbraw/zinc/11/50/73/585115073.db2.gz HNYNTHOWLJMMRC-UHFFFAOYSA-N 0 3 245.392 0.581 20 0 BCADHN CCCNC(=S)NCCN(C)CCCOC ZINC000741505291 585115087 /nfs/dbraw/zinc/11/50/87/585115087.db2.gz DSIGWJKXGZIXNV-UHFFFAOYSA-N 0 3 247.408 0.829 20 0 BCADHN C[C@H]1CC(=O)N(CN2CC[C@H](N3CC=CC3)C2)C1 ZINC000742163397 585122641 /nfs/dbraw/zinc/12/26/41/585122641.db2.gz RNAWLIUAZONDTG-STQMWFEESA-N 0 3 249.358 0.758 20 0 BCADHN Cc1nccc(C(=O)NCCN2CCC[C@H]2C)n1 ZINC000742237986 585123749 /nfs/dbraw/zinc/12/37/49/585123749.db2.gz ASHUHEUXOMBYSP-SNVBAGLBSA-N 0 3 248.330 0.999 20 0 BCADHN Cc1cc(C(=O)NCCN2CCC[C@H]2C)[nH]n1 ZINC000742239300 585123860 /nfs/dbraw/zinc/12/38/60/585123860.db2.gz DZGIXFAROLVHMY-SNVBAGLBSA-N 0 3 236.319 0.932 20 0 BCADHN Cc1cc(NC[C@@H](O)c2cnn(C)c2)nc(N)n1 ZINC000742414322 585125948 /nfs/dbraw/zinc/12/59/48/585125948.db2.gz KTSIPVQQWFTQPJ-SECBINFHSA-N 0 3 248.290 0.246 20 0 BCADHN C[C@H]1CCC[N@@H+]1CCN=c1ncnc2[nH][n-]cc1-2 ZINC000742427342 585126194 /nfs/dbraw/zinc/12/61/94/585126194.db2.gz IEOWAUIZGXNQOU-VIFPVBQESA-N 0 3 246.318 0.623 20 0 BCADHN C[C@H]1CCC[N@H+]1CCN=c1ncnc2[nH][n-]cc1-2 ZINC000742427342 585126195 /nfs/dbraw/zinc/12/61/95/585126195.db2.gz IEOWAUIZGXNQOU-VIFPVBQESA-N 0 3 246.318 0.623 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1C[C@@H]2C[C@@H]2C1 ZINC000886346467 585133841 /nfs/dbraw/zinc/13/38/41/585133841.db2.gz JGGIIQDWNXSFBG-WCABBAIRSA-N 0 3 213.277 0.252 20 0 BCADHN CS(=O)(=O)N1CC[C@H](CN2C[C@@H]3C[C@@H]3C2)C1 ZINC000886348521 585133872 /nfs/dbraw/zinc/13/38/72/585133872.db2.gz NVUCXUCUFQOZKJ-MXWKQRLJSA-N 0 3 244.360 0.220 20 0 BCADHN CC(=O)NCCNC[C@@H](O)c1ccccc1C ZINC000743249435 585134154 /nfs/dbraw/zinc/13/41/54/585134154.db2.gz BSHVHARNAHHYJD-CYBMUJFWSA-N 0 3 236.315 0.754 20 0 BCADHN CC(=O)NCCNC[C@H](O)c1ccccc1C ZINC000743249436 585134340 /nfs/dbraw/zinc/13/43/40/585134340.db2.gz BSHVHARNAHHYJD-ZDUSSCGKSA-N 0 3 236.315 0.754 20 0 BCADHN CN1CC[C@H](CNC(=O)c2ncccn2)C1 ZINC000743315789 585135124 /nfs/dbraw/zinc/13/51/24/585135124.db2.gz BXWLSHNVYUCRFF-SECBINFHSA-N 0 3 220.276 0.158 20 0 BCADHN O=C(c1ncccn1)N1CC[C@H](N2CCCC2)C1 ZINC000743332743 585135219 /nfs/dbraw/zinc/13/52/19/585135219.db2.gz WMLJYBGIMSVYBC-NSHDSACASA-N 0 3 246.314 0.787 20 0 BCADHN C[C@H](CNC(=O)c1ncccn1)N(C)C1CC1 ZINC000743333105 585135239 /nfs/dbraw/zinc/13/52/39/585135239.db2.gz OTCFECRXVDFTLL-SECBINFHSA-N 0 3 234.303 0.689 20 0 BCADHN CN1CCC[C@H](CNC(=O)c2ncccn2)C1 ZINC000743338288 585135362 /nfs/dbraw/zinc/13/53/62/585135362.db2.gz DJJKHKDMZKGWPG-SNVBAGLBSA-N 0 3 234.303 0.548 20 0 BCADHN C[C@@H](CNC(=O)c1ncccn1)N(C)C1CC1 ZINC000743333115 585135372 /nfs/dbraw/zinc/13/53/72/585135372.db2.gz OTCFECRXVDFTLL-VIFPVBQESA-N 0 3 234.303 0.689 20 0 BCADHN Cc1nonc1C(=O)N[C@H](CN(C)C)C(C)C ZINC000743587866 585138054 /nfs/dbraw/zinc/13/80/54/585138054.db2.gz TUPVEUSCOKTVLQ-SECBINFHSA-N 0 3 240.307 0.694 20 0 BCADHN Cc1nonc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000743637072 585138318 /nfs/dbraw/zinc/13/83/18/585138318.db2.gz KZKMPBUBENQDEJ-APPZFPTMSA-N 0 3 238.291 0.591 20 0 BCADHN C[C@@H]1C[C@@H](NC(=O)c2ncccn2)CCN1C ZINC000743638583 585138499 /nfs/dbraw/zinc/13/84/99/585138499.db2.gz RQICIKRHXRCNDV-ZJUUUORDSA-N 0 3 234.303 0.689 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1ccnn1C ZINC000744345389 585149019 /nfs/dbraw/zinc/14/90/19/585149019.db2.gz NNROUNMRVMCLPY-JTQLQIEISA-N 0 3 236.319 0.634 20 0 BCADHN C[C@H]1CCCN1CCNC(=O)c1cc[n+]([O-])cc1 ZINC000744350494 585149261 /nfs/dbraw/zinc/14/92/61/585149261.db2.gz OTOWCHIMULBPCV-NSHDSACASA-N 0 3 249.314 0.534 20 0 BCADHN C[C@H]1CCN(CCNC(=O)NC2CC2)C1 ZINC000744451501 585150423 /nfs/dbraw/zinc/15/04/23/585150423.db2.gz AITPLIVTIWJAMS-VIFPVBQESA-N 0 3 211.309 0.790 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)Cn1ccnc1 ZINC000746260322 585166532 /nfs/dbraw/zinc/16/65/32/585166532.db2.gz UZDRUFJYFXRCOZ-NSHDSACASA-N 0 3 238.335 0.586 20 0 BCADHN O=C(NCCN1CCCC1)OC[C@@H]1CCCO1 ZINC000804941624 585179094 /nfs/dbraw/zinc/17/90/94/585179094.db2.gz XTYMUGIXVROXRU-NSHDSACASA-N 0 3 242.319 0.987 20 0 BCADHN O=C1NCC[C@@H]1N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886830617 585180599 /nfs/dbraw/zinc/18/05/99/585180599.db2.gz VDFNENQTOYYYTE-VWYCJHECSA-N 0 3 224.304 0.376 20 0 BCADHN COC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000748565327 585194073 /nfs/dbraw/zinc/19/40/73/585194073.db2.gz QUHUGEYKGWQPSJ-SECBINFHSA-N 0 3 218.322 0.780 20 0 BCADHN CNC(=S)NC[C@@]1(N(C)C)CCSC1 ZINC000748603243 585194515 /nfs/dbraw/zinc/19/45/15/585194515.db2.gz ULTMTPJCAZAKHI-VIFPVBQESA-N 0 3 233.406 0.518 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)c1ncccn1 ZINC000748861211 585197236 /nfs/dbraw/zinc/19/72/36/585197236.db2.gz TZCVJCZEWLINHY-SNVBAGLBSA-N 0 3 234.303 0.691 20 0 BCADHN C[C@@H]1CCCN1CCNc1nccn2nnnc12 ZINC000749146822 585199951 /nfs/dbraw/zinc/19/99/51/585199951.db2.gz OWHBFECTKAENHH-SECBINFHSA-N 0 3 247.306 0.416 20 0 BCADHN CN(CCCN1CCOC1=O)C[C@@H]1CCCO1 ZINC000749331449 585201469 /nfs/dbraw/zinc/20/14/69/585201469.db2.gz PTDDBYNGMBJDSW-NSHDSACASA-N 0 3 242.319 0.940 20 0 BCADHN C/C=C(/CC)C(=O)NCC1(O)CCN(C)CC1 ZINC000789804508 585203162 /nfs/dbraw/zinc/20/31/62/585203162.db2.gz RSDCRTQULXLVLW-WCIBSUBMSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@@H](CNC(=S)NC[C@H]1CCOC1)N(C)C ZINC000749674382 585205070 /nfs/dbraw/zinc/20/50/70/585205070.db2.gz XAMFNFHVECGKNE-VHSXEESVSA-N 0 3 245.392 0.437 20 0 BCADHN CN1CC[C@@H](NC(=S)NC[C@H]2CCOC2)C1 ZINC000749684869 585205252 /nfs/dbraw/zinc/20/52/52/585205252.db2.gz UVICZXKKKLUIFO-NXEZZACHSA-N 0 3 243.376 0.191 20 0 BCADHN CO[C@H](C)CC(=O)NCCN1CCCC1 ZINC000749969507 585209142 /nfs/dbraw/zinc/20/91/42/585209142.db2.gz LHMMMNBCVLFXNH-SNVBAGLBSA-N 0 3 214.309 0.623 20 0 BCADHN CC(C)CN(CCCCCCO)CC(N)=O ZINC000750184211 585211942 /nfs/dbraw/zinc/21/19/42/585211942.db2.gz FYLYFEPZPHAVLY-UHFFFAOYSA-N 0 3 230.352 0.982 20 0 BCADHN Cc1nn[nH]c1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000789979240 585218008 /nfs/dbraw/zinc/21/80/08/585218008.db2.gz IEQXNJSNPNWWTQ-OIBJUYFYSA-N 0 3 249.318 0.326 20 0 BCADHN CNC(=O)C1(NCCOCCOC)CCCC1 ZINC000750820802 585220469 /nfs/dbraw/zinc/22/04/69/585220469.db2.gz VCAGOOGPVRVINQ-UHFFFAOYSA-N 0 3 244.335 0.298 20 0 BCADHN C/C=C\C(=O)NCCN1CCC(OC)CC1 ZINC000750861604 585220651 /nfs/dbraw/zinc/22/06/51/585220651.db2.gz WVMUSNGVYBKIQL-ARJAWSKDSA-N 0 3 226.320 0.790 20 0 BCADHN CCOCCNC(=S)NC[C@@H]1CCCN1C ZINC000751002311 585223477 /nfs/dbraw/zinc/22/34/77/585223477.db2.gz FARGBIZGCKCPLT-JTQLQIEISA-N 0 3 245.392 0.581 20 0 BCADHN COCCN(CCN(C)C)C(=O)/C=C\SC ZINC000751466407 585231062 /nfs/dbraw/zinc/23/10/62/585231062.db2.gz OTAWHCIFINUPCR-YHYXMXQVSA-N 0 3 246.376 0.900 20 0 BCADHN O[C@H](CN1C[C@H](O)C[C@H](O)C1)c1ccccc1 ZINC000752091593 585242357 /nfs/dbraw/zinc/24/23/57/585242357.db2.gz IZBWVWGRXQZOHX-FRRDWIJNSA-N 0 3 237.299 0.148 20 0 BCADHN CSCCNC(=S)NC[C@@H](C)N(C)C ZINC000752735329 585249400 /nfs/dbraw/zinc/24/94/00/585249400.db2.gz NJKVUYJCILDMCV-MRVPVSSYSA-N 0 3 235.422 0.764 20 0 BCADHN CC(C)CCN1C(C)C(=O)N(C)S1(=O)=O ZINC000752881288 585251099 /nfs/dbraw/zinc/25/10/99/585251099.db2.gz MXAMEZBCASTKIV-MRVPVSSYSA-N 0 3 234.321 0.440 20 0 BCADHN Cc1nnccc1C(=O)NCCN1CCC[C@H]1C ZINC000753096938 585253663 /nfs/dbraw/zinc/25/36/63/585253663.db2.gz VZXBPGMHZLCUHI-SNVBAGLBSA-N 0 3 248.330 0.999 20 0 BCADHN CC(C)(C)C(=O)CCN1C[C@H](O)C[C@H](O)C1 ZINC000753734365 585267395 /nfs/dbraw/zinc/26/73/95/585267395.db2.gz WMUXDUKPBMJTMC-AOOOYVTPSA-N 0 3 229.320 0.419 20 0 BCADHN CCONC(=O)NCCN(C)C1CC1 ZINC000753800348 585269293 /nfs/dbraw/zinc/26/92/93/585269293.db2.gz DQYQCWILSAJZEQ-UHFFFAOYSA-N 0 3 201.270 0.331 20 0 BCADHN CN(C)CCN(C)C(=O)C1=CCCCO1 ZINC000754354828 585282845 /nfs/dbraw/zinc/28/28/45/585282845.db2.gz QBODIMOUITVFPJ-UHFFFAOYSA-N 0 3 212.293 0.701 20 0 BCADHN CN(C)CCN(C)C(=O)/C=C\c1cnn(C)c1 ZINC000754356515 585283043 /nfs/dbraw/zinc/28/30/43/585283043.db2.gz VWOAHMIQFPCJMV-WAYWQWQTSA-N 0 3 236.319 0.453 20 0 BCADHN CCN1CCN(CCN2CCOC2=O)C[C@@H]1C ZINC000754372752 585283531 /nfs/dbraw/zinc/28/35/31/585283531.db2.gz JJCMZNRTSREMST-NSHDSACASA-N 0 3 241.335 0.465 20 0 BCADHN COC(=O)C[C@@H](N[C@H](C)C(=O)N(C)C)C1CC1 ZINC000754536142 585285406 /nfs/dbraw/zinc/28/54/06/585285406.db2.gz CNVLFDZTUQQFAV-PSASIEDQSA-N 0 3 242.319 0.394 20 0 BCADHN COC(=O)C[C@H](NCc1cncn1C)C1CC1 ZINC000754543814 585285831 /nfs/dbraw/zinc/28/58/31/585285831.db2.gz ZPMBJYOXLSRWGY-NSHDSACASA-N 0 3 237.303 0.851 20 0 BCADHN NC(=O)C1(CNCc2ccoc2)CCOCC1 ZINC000754885205 585291951 /nfs/dbraw/zinc/29/19/51/585291951.db2.gz NJYXHGYFEWMPHH-UHFFFAOYSA-N 0 3 238.287 0.651 20 0 BCADHN C[C@@H](Sc1nnnn1CCN(C)C)[C@H](C)O ZINC000755047513 585293847 /nfs/dbraw/zinc/29/38/47/585293847.db2.gz ZXEDOTJRIWPVDG-JGVFFNPUSA-N 0 3 245.352 0.096 20 0 BCADHN CCC1(C(=O)N2CCC[C@H](N(C)C)C2)COC1 ZINC000755301809 585297293 /nfs/dbraw/zinc/29/72/93/585297293.db2.gz MEUPLNUKQOSAEA-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CC(C)[C@@H](CN(C)C)NC(=O)[C@H]1CCCO1 ZINC000755905332 585310130 /nfs/dbraw/zinc/31/01/30/585310130.db2.gz PSJCFJWRIRVCRS-GHMZBOCLSA-N 0 3 228.336 0.868 20 0 BCADHN CC(C)[C@@H]1CCN(CCS(N)(=O)=O)C1 ZINC000755994376 585312175 /nfs/dbraw/zinc/31/21/75/585312175.db2.gz FVJARKAMQXRTHM-SECBINFHSA-N 0 3 220.338 0.253 20 0 BCADHN C[C@H](N[C@H](CO)C1CC1)C(=O)N1CCCCC1 ZINC000839555560 585329589 /nfs/dbraw/zinc/32/95/89/585329589.db2.gz KBNKDCVBKYYSBZ-CMPLNLGQSA-N 0 3 240.347 0.748 20 0 BCADHN CCN(CC)CC(=O)N[C@H](C)C(OC)OC ZINC000808156671 585331596 /nfs/dbraw/zinc/33/15/96/585331596.db2.gz NXPNXPZEAJLLGP-SECBINFHSA-N 0 3 232.324 0.452 20 0 BCADHN C[C@@H]1CC(C)(C)CN1[C@@H]1CCC(=O)NC1=O ZINC000839657654 585333912 /nfs/dbraw/zinc/33/39/12/585333912.db2.gz DKEDJHTWEIONGL-RKDXNWHRSA-N 0 3 224.304 0.912 20 0 BCADHN COC1([C@@H](C)NCC2OCCO2)CCC1 ZINC000839661152 585334235 /nfs/dbraw/zinc/33/42/35/585334235.db2.gz SUIJWTUZMNWCRM-SECBINFHSA-N 0 3 215.293 0.907 20 0 BCADHN COC(=O)[C@@]1(C)CCCN(CC[S@](C)=O)C1 ZINC000839665550 585334727 /nfs/dbraw/zinc/33/47/27/585334727.db2.gz IBEZPIGDSNDXOA-ZBEGNZNMSA-N 0 3 247.360 0.640 20 0 BCADHN COC(=O)[C@@]1(C)CCCN(CC(OC)OC)C1 ZINC000839665536 585334801 /nfs/dbraw/zinc/33/48/01/585334801.db2.gz HZXBOHXETRUEEX-LBPRGKRZSA-N 0 3 245.319 0.880 20 0 BCADHN O=C1CC[C@@H](N2CC[C@@H](C3CCC3)C2)C(=O)N1 ZINC000839679006 585336933 /nfs/dbraw/zinc/33/69/33/585336933.db2.gz BTTKDHMICGWSPG-GHMZBOCLSA-N 0 3 236.315 0.914 20 0 BCADHN O=C1CC[C@H](N2CC[C@@H](C3CCC3)C2)C(=O)N1 ZINC000839679009 585337070 /nfs/dbraw/zinc/33/70/70/585337070.db2.gz BTTKDHMICGWSPG-MNOVXSKESA-N 0 3 236.315 0.914 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)C(OC)OC)N(C)C ZINC000839766702 585339417 /nfs/dbraw/zinc/33/94/17/585339417.db2.gz NACOPFNFFDZAHA-DTWKUNHWSA-N 0 3 232.324 0.450 20 0 BCADHN CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C(OC)OC ZINC000839747074 585340155 /nfs/dbraw/zinc/34/01/55/585340155.db2.gz YZBTTWZESFLMHN-NXEZZACHSA-N 0 3 246.351 0.840 20 0 BCADHN CC[C@@H](C(=O)NCCOC(=O)C1CC1)N(C)C ZINC000839755372 585340229 /nfs/dbraw/zinc/34/02/29/585340229.db2.gz MULXBQRHNCXFMV-JTQLQIEISA-N 0 3 242.319 0.396 20 0 BCADHN CC[C@H](C(=O)NCCOC(=O)C1CC1)N(C)C ZINC000839755373 585340337 /nfs/dbraw/zinc/34/03/37/585340337.db2.gz MULXBQRHNCXFMV-SNVBAGLBSA-N 0 3 242.319 0.396 20 0 BCADHN CON(C(=O)C(C)S(C)(=O)=O)C1CCCC1 ZINC000757629668 585343208 /nfs/dbraw/zinc/34/32/08/585343208.db2.gz NOJMPAPYBXSZLP-QMMMGPOBSA-N 0 3 249.332 0.752 20 0 BCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1nccn1C ZINC000757722113 585344802 /nfs/dbraw/zinc/34/48/02/585344802.db2.gz HGWHKTHQXHVLJX-MWLCHTKSSA-N 0 3 248.330 0.633 20 0 BCADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCN1CCOC1=O ZINC000759485339 585373903 /nfs/dbraw/zinc/37/39/03/585373903.db2.gz ZKBUHUPRTZLWMY-JGPRNRPPSA-N 0 3 242.319 0.672 20 0 BCADHN CN(CC[C@H]1CCOC1=O)C1CC(O)C1 ZINC000759874520 585382014 /nfs/dbraw/zinc/38/20/14/585382014.db2.gz MOGVQTFFZDFCNV-IDKOKCKLSA-N 0 3 213.277 0.395 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)c1cncnc1 ZINC000760616581 585394858 /nfs/dbraw/zinc/39/48/58/585394858.db2.gz MJYMEXSLZYXYHQ-NSHDSACASA-N 0 3 236.319 0.793 20 0 BCADHN CCN(CCN1CCCC1)CC(=O)NC ZINC000760818698 585397694 /nfs/dbraw/zinc/39/76/94/585397694.db2.gz JHKSHZFEKGHGKQ-UHFFFAOYSA-N 0 3 213.325 0.150 20 0 BCADHN CC1(C)C(=O)NCCN1CCN1CCCC1 ZINC000760839542 585398667 /nfs/dbraw/zinc/39/86/67/585398667.db2.gz DGHQLFPWWJTCJJ-UHFFFAOYSA-N 0 3 225.336 0.293 20 0 BCADHN CC[C@H]1C(=O)NCCN1CCN1CCCC1 ZINC000760844442 585399623 /nfs/dbraw/zinc/39/96/23/585399623.db2.gz PTBDUPNDMSZRBK-NSHDSACASA-N 0 3 225.336 0.293 20 0 BCADHN CN1CC[C@@H](C(=O)Nc2nc3cc[nH]cc-3n2)C1 ZINC000760952689 585402427 /nfs/dbraw/zinc/40/24/27/585402427.db2.gz YIYMLUVXUNUZLI-MRVPVSSYSA-N 0 3 245.286 0.848 20 0 BCADHN COc1ccnc(NC(=O)[C@@H]2CCN(C)C2)c1 ZINC000761015753 585403766 /nfs/dbraw/zinc/40/37/66/585403766.db2.gz LUXFAHYOOQTSRF-SECBINFHSA-N 0 3 235.287 0.980 20 0 BCADHN C[C@@H]1CN(CCN2CCOC2=O)CCN1C ZINC000761066310 585405024 /nfs/dbraw/zinc/40/50/24/585405024.db2.gz BONNTHMCPFIWIR-SNVBAGLBSA-N 0 3 227.308 0.075 20 0 BCADHN C[C@@H]1CN(CCOC[C@H]2CCCO2)CCN1C ZINC000761073565 585405167 /nfs/dbraw/zinc/40/51/67/585405167.db2.gz WRWFULNOZWWJGW-CHWSQXEVSA-N 0 3 242.363 0.818 20 0 BCADHN C[C@H]1CN(CCCN2CCOC2=O)CCN1C ZINC000761070385 585405414 /nfs/dbraw/zinc/40/54/14/585405414.db2.gz NPIAVWJKHDSMJV-NSHDSACASA-N 0 3 241.335 0.465 20 0 BCADHN COCCOCCN1CCN(C)[C@H](C)C1 ZINC000761075728 585405963 /nfs/dbraw/zinc/40/59/63/585405963.db2.gz LSWJJQKFULOOKZ-LLVKDONJSA-N 0 3 216.325 0.285 20 0 BCADHN C[C@H](CN1C(=O)N[C@H](C)C1=O)N1CCCCC1 ZINC000761122524 585410533 /nfs/dbraw/zinc/41/05/33/585410533.db2.gz NVRSFLFAKYQKDD-NXEZZACHSA-N 0 3 239.319 0.801 20 0 BCADHN C[C@@H](CN1C(=O)N[C@H](C)C1=O)N1CCCCC1 ZINC000761122532 585410617 /nfs/dbraw/zinc/41/06/17/585410617.db2.gz NVRSFLFAKYQKDD-VHSXEESVSA-N 0 3 239.319 0.801 20 0 BCADHN CN(C)CCN(C)C(=O)C1SCCS1 ZINC000761165543 585411693 /nfs/dbraw/zinc/41/16/93/585411693.db2.gz IEWJINMBXJAVHU-UHFFFAOYSA-N 0 3 234.390 0.813 20 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220.288 0.165 20 0 BCADHN CN(CCN(C)C1CC1)C(=O)c1nccn1C ZINC000769957514 585567395 /nfs/dbraw/zinc/56/73/95/585567395.db2.gz SVASYMIYCQFXEG-UHFFFAOYSA-N 0 3 236.319 0.586 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)NCc1ncccn1 ZINC000770059446 585570469 /nfs/dbraw/zinc/57/04/69/585570469.db2.gz DCERNFHITYNUKH-LLVKDONJSA-N 0 3 248.330 0.967 20 0 BCADHN CC(C)N(C)CC(=O)N[C@@H](CO)C1CC1 ZINC000771000642 585586722 /nfs/dbraw/zinc/58/67/22/585586722.db2.gz LQYMOHOPKLBFOR-JTQLQIEISA-N 0 3 214.309 0.214 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CO)C1CC1 ZINC000771022544 585587634 /nfs/dbraw/zinc/58/76/34/585587634.db2.gz NUNLWFZDZBHBQO-JTQLQIEISA-N 0 3 214.309 0.215 20 0 BCADHN CC[C@H](C(=O)N[C@@H](CO)C1CC1)N(C)C ZINC000771043150 585588372 /nfs/dbraw/zinc/58/83/72/585588372.db2.gz GSADKPXBMUDKOA-VHSXEESVSA-N 0 3 214.309 0.214 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)C[C@H]1CCCOC1 ZINC000805426195 585592053 /nfs/dbraw/zinc/59/20/53/585592053.db2.gz KXJFPISEBIDZLU-WDEREUQCSA-N 0 3 228.336 0.869 20 0 BCADHN 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585612577 /nfs/dbraw/zinc/61/25/77/585612577.db2.gz XQWSBKAAMDVZSX-SNVBAGLBSA-N 0 3 241.335 0.113 20 0 BCADHN CC(=O)CCCCOC(=O)C1CCN(C)C1=O ZINC000772516542 585617355 /nfs/dbraw/zinc/61/73/55/585617355.db2.gz GBEIRFJYTYBRIR-JTQLQIEISA-N 0 3 241.287 0.767 20 0 BCADHN CCN(CC)CC(=O)NCCN1CCC[C@H]1C ZINC000773195336 585633432 /nfs/dbraw/zinc/63/34/32/585633432.db2.gz XAYGVXRGHBSCLD-GFCCVEGCSA-N 0 3 241.379 0.929 20 0 BCADHN Cc1cc(C(=O)NOC2CCN(C)CC2)[nH]n1 ZINC000773540260 585639880 /nfs/dbraw/zinc/63/98/80/585639880.db2.gz HLXCTKQQDKGWGQ-UHFFFAOYSA-N 0 3 238.291 0.474 20 0 BCADHN CN1CC[C@](O)(CNC(=O)C2(F)CCCC2)C1 ZINC000774032760 585648865 /nfs/dbraw/zinc/64/88/65/585648865.db2.gz MSVOJHSXDHDOKD-NSHDSACASA-N 0 3 244.310 0.452 20 0 BCADHN CCN(CCO)CCNC(=O)C1(F)CCCC1 ZINC000774080070 585649895 /nfs/dbraw/zinc/64/98/95/585649895.db2.gz WOTWIMXOOWWHKT-UHFFFAOYSA-N 0 3 246.326 0.699 20 0 BCADHN COC[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000774088328 585650207 /nfs/dbraw/zinc/65/02/07/585650207.db2.gz ZXEIHTBCCDNPJE-SFYZADRCSA-N 0 3 215.249 0.043 20 0 BCADHN CN1CCC(C(=O)OC2(C)CCC2)C1=O ZINC000774158830 585652309 /nfs/dbraw/zinc/65/23/09/585652309.db2.gz VZJDFPLTJDPGOJ-QMMMGPOBSA-N 0 3 211.261 0.951 20 0 BCADHN COCC[C@H](C)OC(=O)C1CCN(C)C1=O ZINC000774235936 585654618 /nfs/dbraw/zinc/65/46/18/585654618.db2.gz GAITWTMZWNCOKM-DTWKUNHWSA-N 0 3 229.276 0.433 20 0 BCADHN COC[C@H](C)COC(=O)C1CCN(C)C1=O ZINC000774488195 585660156 /nfs/dbraw/zinc/66/01/56/585660156.db2.gz MJGCEAUPOBDTDE-IUCAKERBSA-N 0 3 229.276 0.290 20 0 BCADHN COC[C@@H](C)COC(=O)C1CCN(C)C1=O ZINC000774488196 585660328 /nfs/dbraw/zinc/66/03/28/585660328.db2.gz MJGCEAUPOBDTDE-RKDXNWHRSA-N 0 3 229.276 0.290 20 0 BCADHN C[C@H]1CCOCCN1C(=S)NCCN(C)C ZINC000774575281 585661246 /nfs/dbraw/zinc/66/12/46/585661246.db2.gz GZBYSDXVLKQDGY-JTQLQIEISA-N 0 3 245.392 0.533 20 0 BCADHN CON(C)C(=O)CN(C)[C@H]1CCN(C2CC2)C1 ZINC000774621125 585662292 /nfs/dbraw/zinc/66/22/92/585662292.db2.gz RSLGFFSWMOABGR-NSHDSACASA-N 0 3 241.335 0.175 20 0 BCADHN O[C@@H]1C[C@H](O)CN(C[C@H]2CCC=CO2)C1 ZINC000774913668 585669233 /nfs/dbraw/zinc/66/92/33/585669233.db2.gz OPEUQNAUFUOICW-OUAUKWLOSA-N 0 3 213.277 0.107 20 0 BCADHN C[C@@H]1CCOCCN1CCCN1CCOC1=O ZINC000775569538 585680395 /nfs/dbraw/zinc/68/03/95/585680395.db2.gz XXDSPRKNYVUUPP-LLVKDONJSA-N 0 3 242.319 0.940 20 0 BCADHN CCOC[C@H](O)CN1CCOCC[C@H]1C ZINC000775569259 585680409 /nfs/dbraw/zinc/68/04/09/585680409.db2.gz CHWLAHYPXVTKTF-GHMZBOCLSA-N 0 3 217.309 0.495 20 0 BCADHN CCOC[C@@H](O)CN1CCOCC[C@@H]1C ZINC000775569261 585680519 /nfs/dbraw/zinc/68/05/19/585680519.db2.gz CHWLAHYPXVTKTF-QWRGUYRKSA-N 0 3 217.309 0.495 20 0 BCADHN Cc1nc(C(=O)NCC2=CCN(C)CC2)no1 ZINC000775755447 585683962 /nfs/dbraw/zinc/68/39/62/585683962.db2.gz KMRYVWLGJBSHHC-UHFFFAOYSA-N 0 3 236.275 0.370 20 0 BCADHN CC(C)C[C@@H](CO)N(C)CC1OCCO1 ZINC000775752652 585684079 /nfs/dbraw/zinc/68/40/79/585684079.db2.gz CIVLEFORAQJIKF-JTQLQIEISA-N 0 3 217.309 0.698 20 0 BCADHN CN(C)CCCN(C)C(=O)c1ccc(C=O)[nH]1 ZINC000775819264 585685816 /nfs/dbraw/zinc/68/58/16/585685816.db2.gz YMUAPSVQVOUAGM-UHFFFAOYSA-N 0 3 237.303 0.851 20 0 BCADHN CN1CC=C(CNC(=O)[C@H](O)C(C)(C)C)CC1 ZINC000775966286 585688616 /nfs/dbraw/zinc/68/86/16/585688616.db2.gz XATGXUZJIXZBAW-NSHDSACASA-N 0 3 240.347 0.772 20 0 BCADHN CS[C@@H]1CN([C@@H]2CCOC2=O)C[C@@H]1N(C)C ZINC000776001902 585689367 /nfs/dbraw/zinc/68/93/67/585689367.db2.gz QXKYVUMBTCXOAJ-KXUCPTDWSA-N 0 3 244.360 0.279 20 0 BCADHN COCCn1cc(CN[C@H]2CCN(C)C2)cn1 ZINC000776175073 585691715 /nfs/dbraw/zinc/69/17/15/585691715.db2.gz WLONJBCJIZTHTN-LBPRGKRZSA-N 0 3 238.335 0.323 20 0 BCADHN CC[C@@H]1C[C@H](C)CN1CN1CC(=O)N(C)C1=O ZINC000776200829 585692791 /nfs/dbraw/zinc/69/27/91/585692791.db2.gz QKVJZOPNNULONK-VHSXEESVSA-N 0 3 239.319 0.958 20 0 BCADHN CC[C@H]1C[C@H](C)CN1CN1CC(=O)N(C)C1=O ZINC000776200827 585692971 /nfs/dbraw/zinc/69/29/71/585692971.db2.gz QKVJZOPNNULONK-UWVGGRQHSA-N 0 3 239.319 0.958 20 0 BCADHN CC(C)[C@@H](C)N(C)CN1CC(=O)N(C)C1=O ZINC000776200906 585692994 /nfs/dbraw/zinc/69/29/94/585692994.db2.gz WJYYZGZYKQTHBF-SECBINFHSA-N 0 3 227.308 0.814 20 0 BCADHN CCONC(=O)NCCN1CCC(OC)CC1 ZINC000776215874 585693418 /nfs/dbraw/zinc/69/34/18/585693418.db2.gz MELMMYCVUZSFIS-UHFFFAOYSA-N 0 3 245.323 0.348 20 0 BCADHN COCc1nn(CCN2CCCC2)c(=O)o1 ZINC000776433086 585698785 /nfs/dbraw/zinc/69/87/85/585698785.db2.gz NAFXUDZGHXQEBA-UHFFFAOYSA-N 0 3 227.264 0.079 20 0 BCADHN CCC(C)(C)N[C@H](C)C(=O)NN1CCOCC1 ZINC000777102760 585708607 /nfs/dbraw/zinc/70/86/07/585708607.db2.gz SKKXKPTXLAAUPD-SNVBAGLBSA-N 0 3 243.351 0.517 20 0 BCADHN C[C@@H]1CN(C(=S)NCCN(C)C)CC[C@@H]1O ZINC000777486431 585713564 /nfs/dbraw/zinc/71/35/64/585713564.db2.gz IKSPWQPYVYBDRG-ZJUUUORDSA-N 0 3 245.392 0.125 20 0 BCADHN C[C@@H]1CN(C(=S)NCCN(C)C)CC[C@H]1O ZINC000777486428 585713697 /nfs/dbraw/zinc/71/36/97/585713697.db2.gz IKSPWQPYVYBDRG-NXEZZACHSA-N 0 3 245.392 0.125 20 0 BCADHN CC(C)(C)CN(CCO)CC1OCCO1 ZINC000777583190 585716035 /nfs/dbraw/zinc/71/60/35/585716035.db2.gz OEYMCVVSQAUHSS-UHFFFAOYSA-N 0 3 217.309 0.700 20 0 BCADHN CN1CC(=O)N([C@@H]2CCN(C3CC3)C2)C1=O ZINC000777625334 585717530 /nfs/dbraw/zinc/71/75/30/585717530.db2.gz JPVVHSQUPMFXAL-SECBINFHSA-N 0 3 223.276 0.117 20 0 BCADHN C(C1OCCO1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000777711595 585718705 /nfs/dbraw/zinc/71/87/05/585718705.db2.gz AKVCFODMYQJOKM-WDEREUQCSA-N 0 3 227.304 0.718 20 0 BCADHN C[C@]1(CCCO)CCCN1CC1OCCO1 ZINC000777715595 585718773 /nfs/dbraw/zinc/71/87/73/585718773.db2.gz CJRMXLVHIKQKLK-GFCCVEGCSA-N 0 3 229.320 0.986 20 0 BCADHN CON(C)C(=O)CN(C)[C@]1(CO)CC[C@@H](C)C1 ZINC000778427309 585734637 /nfs/dbraw/zinc/73/46/37/585734637.db2.gz LCSWZLYYWFCPLP-ZYHUDNBSSA-N 0 3 244.335 0.489 20 0 BCADHN O=C(OCCC[NH+]1CCCCC1)c1c[n-]nn1 ZINC000805607993 585735473 /nfs/dbraw/zinc/73/54/73/585735473.db2.gz VWYSUPJVMKSHHD-UHFFFAOYSA-N 0 3 238.291 0.838 20 0 BCADHN COCCOC[C@H](C)N[C@@H]1CCCN(C)C1=O ZINC000778546922 585736967 /nfs/dbraw/zinc/73/69/67/585736967.db2.gz REKIAOBCVXEVFQ-WDEREUQCSA-N 0 3 244.335 0.248 20 0 BCADHN CN1CCC[C@H](NC(=O)N[C@@H](CO)C2CC2)C1 ZINC000778695474 585739451 /nfs/dbraw/zinc/73/94/51/585739451.db2.gz NNGRWKQEYXDCRW-QWRGUYRKSA-N 0 3 241.335 0.151 20 0 BCADHN Cc1ccc([C@@H](O)CN[C@H](C)CCO)o1 ZINC000779347778 585752336 /nfs/dbraw/zinc/75/23/36/585752336.db2.gz NXLZQUIVQPEIRC-SCZZXKLOSA-N 0 3 213.277 0.982 20 0 BCADHN CC[C@H](CO)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000779622013 585757569 /nfs/dbraw/zinc/75/75/69/585757569.db2.gz UBLLSKFXAQQIHN-NEPJUHHUSA-N 0 3 240.347 0.702 20 0 BCADHN CC[C@H](CO)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000779640851 585757847 /nfs/dbraw/zinc/75/78/47/585757847.db2.gz GCSWOHYSBBIGII-GMTAPVOTSA-N 0 3 240.347 0.746 20 0 BCADHN CC[C@H](CO)C(=O)N1CCCN(C(C)C)CC1 ZINC000779765309 585761589 /nfs/dbraw/zinc/76/15/89/585761589.db2.gz SJZOBQJRCZNSCA-GFCCVEGCSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@H](CO)C(=O)NCC1=CCN(C)CC1 ZINC000779828813 585767741 /nfs/dbraw/zinc/76/77/41/585767741.db2.gz PHUMXAGNIXRIFL-LLVKDONJSA-N 0 3 226.320 0.383 20 0 BCADHN C[C@@H](O)[C@@H]1CCN(CC2OCCO2)C1 ZINC000780358937 585778319 /nfs/dbraw/zinc/77/83/19/585778319.db2.gz OWHMPCWOTDNSKX-RKDXNWHRSA-N 0 3 201.266 0.062 20 0 BCADHN C[C@H](O)[C@@H]1CCN(CC2OCCO2)C1 ZINC000780358934 585778396 /nfs/dbraw/zinc/77/83/96/585778396.db2.gz OWHMPCWOTDNSKX-DTWKUNHWSA-N 0 3 201.266 0.062 20 0 BCADHN CN(C)CCN(C)C(=O)NC[C@H]1CCC=CO1 ZINC000780729443 585783930 /nfs/dbraw/zinc/78/39/30/585783930.db2.gz MHSSCECLCHMVOI-LLVKDONJSA-N 0 3 241.335 0.882 20 0 BCADHN C[C@H](NC(=O)c1nccn1C)C1=CCN(C)CC1 ZINC000781161805 585791909 /nfs/dbraw/zinc/79/19/09/585791909.db2.gz WZEHYTGPMDIZJS-JTQLQIEISA-N 0 3 248.330 0.800 20 0 BCADHN O=CN1CCCN(C[C@@H]2CCCCO2)CC1 ZINC000781559559 585798624 /nfs/dbraw/zinc/79/86/24/585798624.db2.gz NBEVUDUATMSOEU-LBPRGKRZSA-N 0 3 226.320 0.720 20 0 BCADHN CC[C@]1(O)CCN(CC(OC)OC)C1 ZINC000781919267 585805344 /nfs/dbraw/zinc/80/53/44/585805344.db2.gz LVTPLDNMNHFSQT-JTQLQIEISA-N 0 3 203.282 0.452 20 0 BCADHN C[C@](CO)(NCc1cn2cccnc2n1)C1CC1 ZINC000782177330 585809792 /nfs/dbraw/zinc/80/97/92/585809792.db2.gz VQVMEPRLYGRUKX-CYBMUJFWSA-N 0 3 246.314 0.980 20 0 BCADHN CNS(=O)(=O)[C@@H]1CCCN([C@H](C)C2CC2)C1 ZINC000782181811 585810273 /nfs/dbraw/zinc/81/02/73/585810273.db2.gz LQGVZMJTOGUQBJ-MWLCHTKSSA-N 0 3 246.376 0.799 20 0 BCADHN C[C@H](C1CC1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000782190804 585811737 /nfs/dbraw/zinc/81/17/37/585811737.db2.gz UPSYPSHWDTXLSM-SNVBAGLBSA-N 0 3 239.363 0.666 20 0 BCADHN CNC(=O)[C@@H]1CN([C@@H](C)C2CC2)CCO1 ZINC000782193986 585811790 /nfs/dbraw/zinc/81/17/90/585811790.db2.gz SLTBKLKTWGAXTA-WPRPVWTQSA-N 0 3 212.293 0.232 20 0 BCADHN CNC(=O)[C@H]1CN([C@H](C)C2CC2)CCO1 ZINC000782193983 585811869 /nfs/dbraw/zinc/81/18/69/585811869.db2.gz SLTBKLKTWGAXTA-PSASIEDQSA-N 0 3 212.293 0.232 20 0 BCADHN CO[C@@H](C)CN1CCN(CCCCO)CC1 ZINC000782484537 585818643 /nfs/dbraw/zinc/81/86/43/585818643.db2.gz BCFPJWFBPDGJFU-LBPRGKRZSA-N 0 3 230.352 0.411 20 0 BCADHN CCCCNC(=O)CCN1C[C@@H]2C[C@]2(CO)C1 ZINC000782605903 585821693 /nfs/dbraw/zinc/82/16/93/585821693.db2.gz GEFKZKKNSLQZBV-WCQYABFASA-N 0 3 240.347 0.607 20 0 BCADHN Cn1cc(CCCN2C[C@@H]3C[C@]3(CO)C2)cn1 ZINC000782619875 585822890 /nfs/dbraw/zinc/82/28/90/585822890.db2.gz SJIQMXVOYDVNBU-QWHCGFSZSA-N 0 3 235.331 0.667 20 0 BCADHN NS(=O)(=O)CCN1CCCC2(CCCC2)C1 ZINC000782638739 585823828 /nfs/dbraw/zinc/82/38/28/585823828.db2.gz NYXYFGGFJJQTAE-UHFFFAOYSA-N 0 3 246.376 0.931 20 0 BCADHN CNC(=O)COC(=O)C1CCN(C2CC2)CC1 ZINC000783139683 585828394 /nfs/dbraw/zinc/82/83/94/585828394.db2.gz DXVWGNCGDPEDHD-UHFFFAOYSA-N 0 3 240.303 0.150 20 0 BCADHN C[C@@H]1CC[C@H]1N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000783252797 585832318 /nfs/dbraw/zinc/83/23/18/585832318.db2.gz VQNUNRRSCLFCNG-JLLWLGSASA-N 0 3 248.330 0.914 20 0 BCADHN CCN(CC[C@H]1CCOC1)CC(=O)NC ZINC000783526427 585835966 /nfs/dbraw/zinc/83/59/66/585835966.db2.gz LIHKGBJBXBDCJE-JTQLQIEISA-N 0 3 214.309 0.481 20 0 BCADHN COC[C@@H](C)CN1CCCNC(=O)C1 ZINC000783548189 585836444 /nfs/dbraw/zinc/83/64/44/585836444.db2.gz CBMAIGOVJZRBCD-VIFPVBQESA-N 0 3 200.282 0.091 20 0 BCADHN CN(C)C1(CNC(=O)c2nccn2C)CCC1 ZINC000783598654 585837836 /nfs/dbraw/zinc/83/78/36/585837836.db2.gz VCBFBMJEMHWTBQ-UHFFFAOYSA-N 0 3 236.319 0.634 20 0 BCADHN CC[C@H](CO)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000783865674 585845266 /nfs/dbraw/zinc/84/52/66/585845266.db2.gz GPGIMPVYWRBHIV-LLVKDONJSA-N 0 3 242.363 0.948 20 0 BCADHN CC[C@H](C(=O)NCCN1CCC[C@@H]1C)N(C)C ZINC000783922863 585845740 /nfs/dbraw/zinc/84/57/40/585845740.db2.gz WNMRIUFUNAIWTI-NWDGAFQWSA-N 0 3 241.379 0.927 20 0 BCADHN CN(C)CCNC(=S)N(CCO)C1CCC1 ZINC000783950912 585846213 /nfs/dbraw/zinc/84/62/13/585846213.db2.gz QUSYZFYSUPSNKA-UHFFFAOYSA-N 0 3 245.392 0.269 20 0 BCADHN COC[C@@H]1CN(CCN2CCCC2)C[C@@H](C)O1 ZINC000784370633 585857404 /nfs/dbraw/zinc/85/74/04/585857404.db2.gz ZGKNGAFMZBZHTP-OLZOCXBDSA-N 0 3 242.363 0.818 20 0 BCADHN CN(CCS(N)(=O)=O)C[C@@H]1CC=CCC1 ZINC000784384190 585857718 /nfs/dbraw/zinc/85/77/18/585857718.db2.gz CJSPWIDNOFVJFC-SNVBAGLBSA-N 0 3 232.349 0.563 20 0 BCADHN CC[C@]1(CO)CCCN1CC1OCCO1 ZINC000784387465 585857844 /nfs/dbraw/zinc/85/78/44/585857844.db2.gz ADZMVYKHINKXQZ-LLVKDONJSA-N 0 3 215.293 0.596 20 0 BCADHN Cc1cc(C(=O)NCCN2CCC[C@@H]2C)cnn1 ZINC000786189936 585888403 /nfs/dbraw/zinc/88/84/03/585888403.db2.gz AMRRRBGAQQGNJZ-NSHDSACASA-N 0 3 248.330 0.999 20 0 BCADHN C[C@H](O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000786775716 585897258 /nfs/dbraw/zinc/89/72/58/585897258.db2.gz LLXNYVWBYOESRH-DCAQKATOSA-N 0 3 228.336 0.604 20 0 BCADHN CCN(CC(=O)NC)C[C@@H]1CCSC1 ZINC000787083820 585900723 /nfs/dbraw/zinc/90/07/23/585900723.db2.gz MRIDMZNIKHLUMQ-VIFPVBQESA-N 0 3 216.350 0.807 20 0 BCADHN CO[C@@H]1CC(=O)N(CN2CC[C@H](C3CC3)C2)C1 ZINC000787227752 585903528 /nfs/dbraw/zinc/90/35/28/585903528.db2.gz MWAWDJGSQFVKBL-NWDGAFQWSA-N 0 3 238.331 0.923 20 0 BCADHN COC(=O)[C@H]1CCN(CCC(C)=O)[C@H]1C ZINC000787327017 585907230 /nfs/dbraw/zinc/90/72/30/585907230.db2.gz LCRQMRNVDKCVOB-UWVGGRQHSA-N 0 3 213.277 0.849 20 0 BCADHN O=C(NC[C@H](O)CN1CCCCC1)C(F)F ZINC000787453171 585909514 /nfs/dbraw/zinc/90/95/14/585909514.db2.gz JUHNMASRPODTFB-QMMMGPOBSA-N 0 3 236.262 0.215 20 0 BCADHN CS[C@H]1CN(C(=O)C(F)F)C[C@H]1N(C)C ZINC000787475716 585909826 /nfs/dbraw/zinc/90/98/26/585909826.db2.gz VNEQSUIFCBCYKY-RQJHMYQMSA-N 0 3 238.303 0.756 20 0 BCADHN CN(C)C1(C(=O)NCCCCO)CCC1 ZINC000787615925 585912963 /nfs/dbraw/zinc/91/29/63/585912963.db2.gz SRKALVYJXUUYQO-UHFFFAOYSA-N 0 3 214.309 0.359 20 0 BCADHN COC(=O)[C@@H]1[C@@H](CN2CCC[C@H]2CO)C1(F)F ZINC000787772900 585915661 /nfs/dbraw/zinc/91/56/61/585915661.db2.gz KGZVYZGWVSZAJC-YIZRAAEISA-N 0 3 249.257 0.497 20 0 BCADHN COC(=O)[C@H]1[C@@H](CNCC2(CO)CC2)C1(F)F ZINC000787773341 585915717 /nfs/dbraw/zinc/91/57/17/585915717.db2.gz FWMIIJSHHNYFQM-HTQZYQBOSA-N 0 3 249.257 0.403 20 0 BCADHN COC(C)(C)CCOC(=O)C1CCN(C)C1=O ZINC000787799431 585916592 /nfs/dbraw/zinc/91/65/92/585916592.db2.gz NCOPZRXEGDAJIM-SECBINFHSA-N 0 3 243.303 0.823 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)CCCC(N)=O ZINC000787925127 585917144 /nfs/dbraw/zinc/91/71/44/585917144.db2.gz WULRRJICGVKLDH-SNVBAGLBSA-N 0 3 241.335 0.243 20 0 BCADHN COC(CN1CC[C@@H](c2nccn2C)C1)OC ZINC000787993099 585918457 /nfs/dbraw/zinc/91/84/57/585918457.db2.gz VEDRQFOWNNAVMK-SNVBAGLBSA-N 0 3 239.319 0.828 20 0 BCADHN CCOC(CN1CC[C@H](CO)[C@@H](O)C1)OCC ZINC000787996743 585918722 /nfs/dbraw/zinc/91/87/22/585918722.db2.gz OGZDBSGWQBQMMX-MNOVXSKESA-N 0 3 247.335 0.061 20 0 BCADHN CCOC(CN1CC[C@@H](CO)[C@H](O)C1)OCC ZINC000787996746 585918794 /nfs/dbraw/zinc/91/87/94/585918794.db2.gz OGZDBSGWQBQMMX-WDEREUQCSA-N 0 3 247.335 0.061 20 0 BCADHN C[C@H]1C(=O)NCCCN1CCCCCCO ZINC000788274819 585920585 /nfs/dbraw/zinc/92/05/85/585920585.db2.gz DOMGHQXNPYXQIX-NSHDSACASA-N 0 3 228.336 0.750 20 0 BCADHN COCCN1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788474126 585925364 /nfs/dbraw/zinc/92/53/64/585925364.db2.gz LTDIOIGCPKRPQU-NSHDSACASA-N 0 3 239.319 0.802 20 0 BCADHN C[N@@H+]1CC[C@H](C(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC000788572658 585927287 /nfs/dbraw/zinc/92/72/87/585927287.db2.gz WKWVUCSJQKTAJE-ZJUUUORDSA-N 0 3 228.292 0.022 20 0 BCADHN C[N@H+]1CC[C@H](C(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC000788572658 585927288 /nfs/dbraw/zinc/92/72/88/585927288.db2.gz WKWVUCSJQKTAJE-ZJUUUORDSA-N 0 3 228.292 0.022 20 0 BCADHN CCN(CCNC(=O)CC1OCCO1)C1CC1 ZINC000788654934 585928481 /nfs/dbraw/zinc/92/84/81/585928481.db2.gz FWMDZCGVPNIZBF-UHFFFAOYSA-N 0 3 242.319 0.350 20 0 BCADHN COCCONC(=O)NC[C@@H]1CCCN(C)C1 ZINC000788988152 585932822 /nfs/dbraw/zinc/93/28/22/585932822.db2.gz BXFJNBVFSJQXDU-JTQLQIEISA-N 0 3 245.323 0.205 20 0 BCADHN COCCN(C)CCNC(=S)NC1(C)CC1 ZINC000789214013 585937060 /nfs/dbraw/zinc/93/70/60/585937060.db2.gz HYGLVQCZIBMFIH-UHFFFAOYSA-N 0 3 245.392 0.581 20 0 BCADHN CCN(CCO)CCNC(=S)NC1(C)CC1 ZINC000789298065 585939081 /nfs/dbraw/zinc/93/90/81/585939081.db2.gz XHCPJXQDFJMFBC-UHFFFAOYSA-N 0 3 245.392 0.317 20 0 BCADHN CN(C)CCNC(=S)NCCC1(O)CCC1 ZINC000789376401 585941759 /nfs/dbraw/zinc/94/17/59/585941759.db2.gz 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586107604 /nfs/dbraw/zinc/10/76/04/586107604.db2.gz YCGXJTMHXPILEP-WDEREUQCSA-N 0 3 215.293 0.437 20 0 BCADHN CN(CCC(N)=O)C[C@H](O)c1cccc(F)c1 ZINC000796596124 586107992 /nfs/dbraw/zinc/10/79/92/586107992.db2.gz QFJCWJRCCLLISZ-NSHDSACASA-N 0 3 240.278 0.666 20 0 BCADHN CN(CCC(N)=O)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000796591840 586108339 /nfs/dbraw/zinc/10/83/39/586108339.db2.gz WDCQGPJOVOTNON-VIFPVBQESA-N 0 3 240.303 0.279 20 0 BCADHN CN1CCC(NC(=S)NCCF)CC1 ZINC000797793484 586131488 /nfs/dbraw/zinc/13/14/88/586131488.db2.gz PHPSBZXNOAYZDK-UHFFFAOYSA-N 0 3 219.329 0.514 20 0 BCADHN COCC(C)(C)N(C)CCc1cn(C)nn1 ZINC000859314181 589030733 /nfs/dbraw/zinc/03/07/33/589030733.db2.gz FJYMYQIPLXQETI-UHFFFAOYSA-N 0 3 226.324 0.714 20 0 BCADHN C[S@](=O)CCN(C[C@@H]1CCOC1)C1CC1 ZINC000798192247 586139010 /nfs/dbraw/zinc/13/90/10/586139010.db2.gz BFWMRRQQFSYZII-BONVTDFDSA-N 0 3 231.361 0.866 20 0 BCADHN C[S@](=O)CCN(C[C@H]1CCOC1)C1CC1 ZINC000798192244 586139069 /nfs/dbraw/zinc/13/90/69/586139069.db2.gz 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C[C@@H]1CCCN1CCNC(=O)c1cnnn1C ZINC000799102931 586156687 /nfs/dbraw/zinc/15/66/87/586156687.db2.gz WQMJIAZRYMSMSE-SECBINFHSA-N 0 3 237.307 0.029 20 0 BCADHN O=C1CC[C@H](N2C3CCC2CC3)C(=O)N1 ZINC000799109275 586157125 /nfs/dbraw/zinc/15/71/25/586157125.db2.gz BPUJSZLZPITTRY-HACHORDNSA-N 0 3 208.261 0.418 20 0 BCADHN C[C@H]1CCCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799117261 586158623 /nfs/dbraw/zinc/15/86/23/586158623.db2.gz UKXWEGHTNGNMOY-VHSXEESVSA-N 0 3 224.304 0.914 20 0 BCADHN CON(C)C(=O)CCN(C)[C@@H]1CCOC1 ZINC000799121739 586158936 /nfs/dbraw/zinc/15/89/36/586158936.db2.gz JYTJKNREGIOTRP-SECBINFHSA-N 0 3 216.281 0.117 20 0 BCADHN COCC1CCN([C@H]2CCC(=O)NC2=O)CC1 ZINC000799122145 586159316 /nfs/dbraw/zinc/15/93/16/586159316.db2.gz QPWRJPRRQYRTCQ-JTQLQIEISA-N 0 3 240.303 0.150 20 0 BCADHN CCN(C[C@H]1CCCO1)[C@@H]1CCC(=O)NC1=O ZINC000799118922 586159349 /nfs/dbraw/zinc/15/93/49/586159349.db2.gz AZQKKJCHGLBUCM-NXEZZACHSA-N 0 3 240.303 0.293 20 0 BCADHN CCOC[C@H]1CCN([C@@H]2CCC(=O)NC2=O)C1 ZINC000799125226 586159666 /nfs/dbraw/zinc/15/96/66/586159666.db2.gz JTRXWXSEYXZEAS-VHSXEESVSA-N 0 3 240.303 0.150 20 0 BCADHN CC(C)[C@@H]1CCN([C@H]2CCC(=O)NC2=O)C1 ZINC000799128951 586161213 /nfs/dbraw/zinc/16/12/13/586161213.db2.gz VQLUJKOPEYWZRD-ZJUUUORDSA-N 0 3 224.304 0.770 20 0 BCADHN C[C@@H]1CCN([C@@H]2CCC(=O)NC2=O)C[C@@H]1C ZINC000799147137 586161948 /nfs/dbraw/zinc/16/19/48/586161948.db2.gz GWUXAKCQBUOSSF-KXUCPTDWSA-N 0 3 224.304 0.770 20 0 BCADHN CON(C)C(=O)CCN1CCOCC[C@H]1C ZINC000799158580 586162632 /nfs/dbraw/zinc/16/26/32/586162632.db2.gz ODSYDOUIFQEODH-SNVBAGLBSA-N 0 3 230.308 0.507 20 0 BCADHN O=C1CC[C@H](N2CCCC3(CC3)C2)C(=O)N1 ZINC000799163960 586163159 /nfs/dbraw/zinc/16/31/59/586163159.db2.gz CLYQRDYQUKIUKG-VIFPVBQESA-N 0 3 222.288 0.668 20 0 BCADHN CO[C@@H]1CCCN([C@H]2CCC(=O)NC2=O)CC1 ZINC000799163945 586163371 /nfs/dbraw/zinc/16/33/71/586163371.db2.gz XHPPRNSWGKJACE-ZJUUUORDSA-N 0 3 240.303 0.293 20 0 BCADHN COC[C@H](O)CN1CC[C@H](c2ccccn2)C1 ZINC000799196185 586167317 /nfs/dbraw/zinc/16/73/17/586167317.db2.gz PLJVMSKBKPOFTH-NWDGAFQWSA-N 0 3 236.315 0.878 20 0 BCADHN CCCN(CCO)C[C@H](O)c1ccc(F)cn1 ZINC000799295600 586169225 /nfs/dbraw/zinc/16/92/25/586169225.db2.gz SEDATSOFMDMBFK-LBPRGKRZSA-N 0 3 242.294 0.958 20 0 BCADHN CC[C@H](O)CN(C)[C@H]1CCCCNC1=O ZINC000799300518 586169251 /nfs/dbraw/zinc/16/92/51/586169251.db2.gz JUARRPQEPBRIMI-UWVGGRQHSA-N 0 3 214.309 0.358 20 0 BCADHN C[C@@H](CO)N(C)C[C@H](O)c1ccc(F)cn1 ZINC000799309251 586170986 /nfs/dbraw/zinc/17/09/86/586170986.db2.gz CBTCVOZBGZQDRJ-KWQFWETISA-N 0 3 228.267 0.567 20 0 BCADHN COCC1(COC(=O)C2CCN(C)C2=O)CC1 ZINC000799665519 586188551 /nfs/dbraw/zinc/18/85/51/586188551.db2.gz YOUVDCHPGNUNPQ-VIFPVBQESA-N 0 3 241.287 0.435 20 0 BCADHN Cc1c[nH]nc1C(=O)NCCN1CCC[C@@H]1C ZINC000799844582 586197429 /nfs/dbraw/zinc/19/74/29/586197429.db2.gz DOWLBRMLQUJZAP-JTQLQIEISA-N 0 3 236.319 0.932 20 0 BCADHN CCN1CC[C@H](NC(=O)C2=COCCC2)C1 ZINC000839898202 586211928 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/nfs/dbraw/zinc/03/87/86/587038786.db2.gz GQGSHWAOQPIQSX-NWDGAFQWSA-N 0 3 239.363 0.681 20 0 BCADHN CCn1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)nn1 ZINC000820271492 587039650 /nfs/dbraw/zinc/03/96/50/587039650.db2.gz GTJDRDHYFJFJLF-ONGXEEELSA-N 0 3 249.318 0.074 20 0 BCADHN CCn1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)nn1 ZINC000820271491 587039712 /nfs/dbraw/zinc/03/97/12/587039712.db2.gz GTJDRDHYFJFJLF-MWLCHTKSSA-N 0 3 249.318 0.074 20 0 BCADHN CCC[C@H](O)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000820343561 587044109 /nfs/dbraw/zinc/04/41/09/587044109.db2.gz YAOAWNVVHPMOTA-AAEUAGOBSA-N 0 3 240.347 0.702 20 0 BCADHN COC(OC)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000820721308 587068423 /nfs/dbraw/zinc/06/84/23/587068423.db2.gz QYYPYMQASUNTRL-IUCAKERBSA-N 0 3 242.319 0.347 20 0 BCADHN COC(CN1CCCC[C@H]1CNC(C)=O)OC ZINC000860176835 589083863 /nfs/dbraw/zinc/08/38/63/589083863.db2.gz KAFWGPCEMZIKLC-NSHDSACASA-N 0 3 244.335 0.596 20 0 BCADHN C[C@H](NC[C@H]1CCCO1)c1cnnn1C ZINC000820805097 587073599 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/nfs/dbraw/zinc/08/55/04/589085504.db2.gz PWOWPSVDBNBGGX-ZYHUDNBSSA-N 0 3 249.314 0.550 20 0 BCADHN CC[C@H](C(=O)N1CCOCC[C@H]1C)N(C)C ZINC000840411707 587099612 /nfs/dbraw/zinc/09/96/12/587099612.db2.gz VYDFXFRLNYNQLO-GHMZBOCLSA-N 0 3 228.336 0.964 20 0 BCADHN C[C@@H](O)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000821248328 587103536 /nfs/dbraw/zinc/10/35/36/587103536.db2.gz XGOSCKFQQCMPCE-NEPJUHHUSA-N 0 3 240.347 0.844 20 0 BCADHN CNC(=O)CCCN(C)C(=O)CN1CCCC1 ZINC000821269915 587104522 /nfs/dbraw/zinc/10/45/22/587104522.db2.gz FNHYQKCDQPUTDJ-UHFFFAOYSA-N 0 3 241.335 0.067 20 0 BCADHN COC1CCN(C[C@@H]2CCC(=O)O2)CC1 ZINC000821336882 587108635 /nfs/dbraw/zinc/10/86/35/587108635.db2.gz NJAOKQSYCNUOLE-JTQLQIEISA-N 0 3 213.277 0.803 20 0 BCADHN CO[C@@H]1CC[C@H](N(C)CC(=O)NC2CC2)C1 ZINC000821349132 587110281 /nfs/dbraw/zinc/11/02/81/587110281.db2.gz UELADEUTZCZTAJ-WDEREUQCSA-N 0 3 226.320 0.764 20 0 BCADHN CO[C@@H]1CC[C@H](N(C)CC(=O)N(C)C)C1 ZINC000821347360 587110383 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KAFWGPCEMZIKLC-LLVKDONJSA-N 0 3 244.335 0.596 20 0 BCADHN COC(OC)C(=O)N(C)CCN(C)C1CC1 ZINC000822026175 587149758 /nfs/dbraw/zinc/14/97/58/587149758.db2.gz SNVAPWDUMVNUJE-UHFFFAOYSA-N 0 3 230.308 0.158 20 0 BCADHN CCCCC[C@H](O)C(=O)NCCN(C)C ZINC000822148430 587156479 /nfs/dbraw/zinc/15/64/79/587156479.db2.gz KWMBKLKZIUIGRX-JTQLQIEISA-N 0 3 216.325 0.605 20 0 BCADHN CCN1CCCN(C(=O)[C@@H]2C[C@H]2OC)[C@@H](C)C1 ZINC000822568726 587175671 /nfs/dbraw/zinc/17/56/71/587175671.db2.gz HCBLKVXSSHHDOV-QJPTWQEYSA-N 0 3 240.347 0.964 20 0 BCADHN C[NH+]1CCC(O[N-]C(=O)CN2CCCC2)CC1 ZINC000822724837 587182861 /nfs/dbraw/zinc/18/28/61/587182861.db2.gz ZANYPLWRKLKEBN-UHFFFAOYSA-N 0 3 241.335 0.224 20 0 BCADHN COCCCO[N-]C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000822912950 587191576 /nfs/dbraw/zinc/19/15/76/587191576.db2.gz AIVBXBNXWRHQSI-SNVBAGLBSA-N 0 3 230.308 0.413 20 0 BCADHN COCCCO[N-]C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000822912950 587191577 /nfs/dbraw/zinc/19/15/77/587191577.db2.gz AIVBXBNXWRHQSI-SNVBAGLBSA-N 0 3 230.308 0.413 20 0 BCADHN O=C(CN1CCCC1)N1CCc2nc[nH]c2C1 ZINC000823006073 587197551 /nfs/dbraw/zinc/19/75/51/587197551.db2.gz MOPVTRDNWLIXPP-UHFFFAOYSA-N 0 3 234.303 0.390 20 0 BCADHN CN1C[C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C1 ZINC000823101859 587202807 /nfs/dbraw/zinc/20/28/07/587202807.db2.gz WKLJTARHKTWRQZ-NWDGAFQWSA-N 0 3 237.347 0.245 20 0 BCADHN CC(C)[C@H]1CN(C)CCN1CC1OCCO1 ZINC000823179273 587206962 /nfs/dbraw/zinc/20/69/62/587206962.db2.gz KMZCCRFGWWPHEX-LLVKDONJSA-N 0 3 228.336 0.631 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@@H](O)C1CC1 ZINC000823189525 587207556 /nfs/dbraw/zinc/20/75/56/587207556.db2.gz GEIAULUPBRKLOY-VXGBXAGGSA-N 0 3 212.337 0.783 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@H](O)C1CC1 ZINC000823189524 587207719 /nfs/dbraw/zinc/20/77/19/587207719.db2.gz GEIAULUPBRKLOY-RYUDHWBXSA-N 0 3 212.337 0.783 20 0 BCADHN CC[C@H]1CN(C)CCN1CCN1CCOC1=O ZINC000823200510 587208220 /nfs/dbraw/zinc/20/82/20/587208220.db2.gz XRGYADXMRMQKLQ-NSHDSACASA-N 0 3 241.335 0.465 20 0 BCADHN CCC[C@H](O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000823275819 587213190 /nfs/dbraw/zinc/21/31/90/587213190.db2.gz FULVCLDYPRMCSY-TUAOUCFPSA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCOC1 ZINC000823288507 587214160 /nfs/dbraw/zinc/21/41/60/587214160.db2.gz KJSWXJYHVFOJOL-GHMZBOCLSA-N 0 3 226.320 0.764 20 0 BCADHN CC(C)N(C)Cc1nc(N2CCNCC2)no1 ZINC000823334374 587216712 /nfs/dbraw/zinc/21/67/12/587216712.db2.gz DNOJKWNRJCTOAD-UHFFFAOYSA-N 0 3 239.323 0.319 20 0 BCADHN C1=C(c2nc(N3CCNCC3)no2)CCO1 ZINC000823334235 587216736 /nfs/dbraw/zinc/21/67/36/587216736.db2.gz CIJSRAXTEZLSQZ-UHFFFAOYSA-N 0 3 222.248 0.240 20 0 BCADHN CS[C@@H](C)Cc1nc(N2CCNCC2)no1 ZINC000823330423 587216745 /nfs/dbraw/zinc/21/67/45/587216745.db2.gz OTQUTDBJOITOJZ-QMMMGPOBSA-N 0 3 242.348 0.773 20 0 BCADHN CC(C)=Cc1nc(N2CCNCC2)no1 ZINC000823353874 587217725 /nfs/dbraw/zinc/21/77/25/587217725.db2.gz WKHVJONQTFEFRI-UHFFFAOYSA-N 0 3 208.265 0.902 20 0 BCADHN CC1=NO[C@H](C(=O)NCCN(C)C2CC2)C1 ZINC000823607052 587232967 /nfs/dbraw/zinc/23/29/67/587232967.db2.gz CODJVJPCBSKCSV-JTQLQIEISA-N 0 3 225.292 0.362 20 0 BCADHN CCn1nc(C)c(CNC[C@@H]2CCCN2C)n1 ZINC000823729749 587238025 /nfs/dbraw/zinc/23/80/25/587238025.db2.gz KLKMQKUCLCRLHY-NSHDSACASA-N 0 3 237.351 0.790 20 0 BCADHN CN(C[C@H]1CCCN1C)C(=O)CN1CCCC1 ZINC000823753466 587239887 /nfs/dbraw/zinc/23/98/87/587239887.db2.gz PEEOQKBYCYLKCB-GFCCVEGCSA-N 0 3 239.363 0.635 20 0 BCADHN C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2c[n-]nn2)C1(C)C ZINC000824084453 587254406 /nfs/dbraw/zinc/25/44/06/587254406.db2.gz GJIOBEUPXXHRAJ-RKDXNWHRSA-N 0 3 237.307 0.263 20 0 BCADHN C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cnn[n-]2)C1(C)C ZINC000824084453 587254407 /nfs/dbraw/zinc/25/44/07/587254407.db2.gz GJIOBEUPXXHRAJ-RKDXNWHRSA-N 0 3 237.307 0.263 20 0 BCADHN C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1(C)C ZINC000824084453 587254409 /nfs/dbraw/zinc/25/44/09/587254409.db2.gz GJIOBEUPXXHRAJ-RKDXNWHRSA-N 0 3 237.307 0.263 20 0 BCADHN C[C@@H](CN(C)C)NC(=O)NOCC1CCC1 ZINC000824099252 587255595 /nfs/dbraw/zinc/25/55/95/587255595.db2.gz NYPPRRZDGRCIPO-VIFPVBQESA-N 0 3 229.324 0.967 20 0 BCADHN CON(C)CCCNC(=O)Cc1nc[nH]c1C ZINC000824567844 587276498 /nfs/dbraw/zinc/27/64/98/587276498.db2.gz QFNBBDCDGUZWRZ-UHFFFAOYSA-N 0 3 240.307 0.260 20 0 BCADHN O=C(CCCF)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000824734059 587284749 /nfs/dbraw/zinc/28/47/49/587284749.db2.gz UZGGGMAIHAJFJZ-MNOVXSKESA-N 0 3 244.310 0.716 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000824895147 587292004 /nfs/dbraw/zinc/29/20/04/587292004.db2.gz RCNKLHCSRBHGMO-WZRBSPASSA-N 0 3 238.331 0.622 20 0 BCADHN COC(=O)N1CC(N[C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000825357582 587316848 /nfs/dbraw/zinc/31/68/48/587316848.db2.gz IBJLGJWFEBBKKC-GXSJLCMTSA-N 0 3 240.303 0.594 20 0 BCADHN Cc1noc(NC(=O)[C@@H]2CCN(C)[C@@H]2C)n1 ZINC000825487001 587320716 /nfs/dbraw/zinc/32/07/16/587320716.db2.gz ISDLDGGRYQGLRB-HTRCEHHLSA-N 0 3 224.264 0.657 20 0 BCADHN CN(CCO)CCN(C)C(=O)[C@@]1(C)C=CCC1 ZINC000825526476 587321718 /nfs/dbraw/zinc/32/17/18/587321718.db2.gz HCPREGYXXFRISW-ZDUSSCGKSA-N 0 3 240.347 0.725 20 0 BCADHN CCCN1CC[C@@H](NC(=O)c2cc(=O)cc[nH]2)C1 ZINC000825625237 587327587 /nfs/dbraw/zinc/32/75/87/587327587.db2.gz HTWMPHOXGDIOHU-SNVBAGLBSA-N 0 3 249.314 0.589 20 0 BCADHN CC1=NO[C@@H](C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000825748513 587336800 /nfs/dbraw/zinc/33/68/00/587336800.db2.gz DDRAVJDJJXDGEQ-MWLCHTKSSA-N 0 3 239.319 0.750 20 0 BCADHN C[NH+](C)CCNc1cnccc1-c1nnn[n-]1 ZINC000825870574 587343082 /nfs/dbraw/zinc/34/30/82/587343082.db2.gz SKEKVLGXJLLKOS-UHFFFAOYSA-N 0 3 233.279 0.235 20 0 BCADHN CCN(CCNC(=O)[C@@H]1CC(C)=NO1)C1CC1 ZINC000825900516 587344826 /nfs/dbraw/zinc/34/48/26/587344826.db2.gz LFOADABZSCHAMP-NSHDSACASA-N 0 3 239.319 0.752 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1COc2ccccc2C1 ZINC000825994092 587347908 /nfs/dbraw/zinc/34/79/08/587347908.db2.gz GRFPOZRLQBTRJA-NXEZZACHSA-N 0 3 234.299 0.701 20 0 BCADHN CCC[C@H](O)C(=O)N1C[C@@H](C)N[C@@H](CC)C1 ZINC000826678668 587358944 /nfs/dbraw/zinc/35/89/44/587358944.db2.gz FLSPKLDLLGMFAA-VWYCJHECSA-N 0 3 228.336 0.746 20 0 BCADHN CC[C@@](C)(O)C(=O)N1CCC(N2CCC2)CC1 ZINC000826927707 587365808 /nfs/dbraw/zinc/36/58/08/587365808.db2.gz GIDMFLJPWYBQKD-CYBMUJFWSA-N 0 3 240.347 0.844 20 0 BCADHN C[C@H](Cn1cccn1)NC(=O)[C@]1(F)CCNC1 ZINC000826935450 587366266 /nfs/dbraw/zinc/36/62/66/587366266.db2.gz ZZUGRXDDCNHFHW-KOLCDFICSA-N 0 3 240.282 0.089 20 0 BCADHN OC[C@@H](CNCc1cnccn1)CC1CC1 ZINC000827358434 587378399 /nfs/dbraw/zinc/37/83/99/587378399.db2.gz BFGSFGIZTXEBSE-LLVKDONJSA-N 0 3 221.304 0.975 20 0 BCADHN CCCCN(C)CCNC(=O)[C@H]1CC(C)=NO1 ZINC000827408368 587380315 /nfs/dbraw/zinc/38/03/15/587380315.db2.gz VVIAMECNBOXLAO-LLVKDONJSA-N 0 3 241.335 0.999 20 0 BCADHN COCCN(CC[S@](C)=O)CC(C)C ZINC000827415810 587380417 /nfs/dbraw/zinc/38/04/17/587380417.db2.gz NBKASDMFZUUJLX-AWEZNQCLSA-N 0 3 221.366 0.969 20 0 BCADHN O=C(NC[C@@H]1CCCOC1)[C@]1(F)CCNC1 ZINC000827469072 587382433 /nfs/dbraw/zinc/38/24/33/587382433.db2.gz KTRCTLKOAOJUGJ-ONGXEEELSA-N 0 3 230.283 0.231 20 0 BCADHN CC1(CCC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC000827527950 587386311 /nfs/dbraw/zinc/38/63/11/587386311.db2.gz CBMQXIOOAGDOFQ-LLVKDONJSA-N 0 3 240.347 0.750 20 0 BCADHN C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CCCN1C ZINC000827625996 587393040 /nfs/dbraw/zinc/39/30/40/587393040.db2.gz SKLUZFFOSYZNHS-DCAQKATOSA-N 0 3 242.319 0.001 20 0 BCADHN CCCN[C@@H](C)C(=O)NCC(=O)N(CC)CC ZINC000827707705 587398065 /nfs/dbraw/zinc/39/80/65/587398065.db2.gz NQJMRFUHJQQRRV-JTQLQIEISA-N 0 3 243.351 0.359 20 0 BCADHN CCc1cc(NC(=O)[C@]2(F)CCNC2)n[nH]1 ZINC000827712550 587398272 /nfs/dbraw/zinc/39/82/72/587398272.db2.gz JNYCOPRODSZYMV-JTQLQIEISA-N 0 3 226.255 0.612 20 0 BCADHN COC(=O)CCCCNC(=O)[C@]1(F)CCNC1 ZINC000827792669 587401405 /nfs/dbraw/zinc/40/14/05/587401405.db2.gz MVMLRHLKSPGMPR-NSHDSACASA-N 0 3 246.282 0.148 20 0 BCADHN C[S@@](=O)CCN1CCC[C@H](N2CCCC2)C1 ZINC000827785764 587401905 /nfs/dbraw/zinc/40/19/05/587401905.db2.gz GOEUUPNZMACMFV-BLLLJJGKSA-N 0 3 244.404 0.925 20 0 BCADHN C[S@](=O)CCN1CCC[C@@H](N2CCCC2)C1 ZINC000827785769 587401914 /nfs/dbraw/zinc/40/19/14/587401914.db2.gz GOEUUPNZMACMFV-WBMJQRKESA-N 0 3 244.404 0.925 20 0 BCADHN CN(CC[S@](C)=O)[C@@H]1CCN(C2CC2)C1 ZINC000827919786 587409906 /nfs/dbraw/zinc/40/99/06/587409906.db2.gz ORKGQTRCCVWMLA-ABAIWWIYSA-N 0 3 230.377 0.533 20 0 BCADHN CN(CC[S@@](C)=O)C[C@@H]1CCCOC1 ZINC000827913951 587410186 /nfs/dbraw/zinc/41/01/86/587410186.db2.gz UCLIPWLCNAOZDN-IINYFYTJSA-N 0 3 219.350 0.723 20 0 BCADHN C[C@H]1C[C@@H](C(=O)[N-]O[C@H]2CCCCO2)CC[NH2+]1 ZINC000828059873 587418834 /nfs/dbraw/zinc/41/88/34/587418834.db2.gz XSEVLHIOMUYNBP-DCAQKATOSA-N 0 3 242.319 0.949 20 0 BCADHN CO[C@H]1CCCN(CC[S@](C)=O)CC1 ZINC000828217656 587424412 /nfs/dbraw/zinc/42/44/12/587424412.db2.gz IVDUPPPAJPKRHO-HZMBPMFUSA-N 0 3 219.350 0.866 20 0 BCADHN CCCONC(=O)NC1CCN(C)CC1 ZINC000828227979 587426281 /nfs/dbraw/zinc/42/62/81/587426281.db2.gz ZVLNWQWTLRJFFR-UHFFFAOYSA-N 0 3 215.297 0.721 20 0 BCADHN Cn1cc(C(C)(C)NCC[S@](C)=O)cn1 ZINC000828252411 587428090 /nfs/dbraw/zinc/42/80/90/587428090.db2.gz ULEWQXWCXOYSND-HNNXBMFYSA-N 0 3 229.349 0.623 20 0 BCADHN Cc1noc(C)c1NC(=O)[C@]1(F)CCNC1 ZINC000828433897 587439950 /nfs/dbraw/zinc/43/99/50/587439950.db2.gz FHCVYIYGIXKVTK-JTQLQIEISA-N 0 3 227.239 0.932 20 0 BCADHN COC[C@H](NCC[S@](C)=O)[C@@H]1CCCO1 ZINC000828443664 587442745 /nfs/dbraw/zinc/44/27/45/587442745.db2.gz GCARHBYCJAJZHA-YHAQOWFVSA-N 0 3 235.349 0.149 20 0 BCADHN CO[C@]1(C)CCCN(CC[S@@](C)=O)C1 ZINC000828449823 587443012 /nfs/dbraw/zinc/44/30/12/587443012.db2.gz CBLYFKBHBQFBRN-QMTHXVAHSA-N 0 3 219.350 0.866 20 0 BCADHN CCNC(=O)[C@@H](NCC[S@](C)=O)C(C)C ZINC000828575483 587451123 /nfs/dbraw/zinc/45/11/23/587451123.db2.gz KSWWZRGUWHHGEZ-VFZGTOFNSA-N 0 3 234.365 0.115 20 0 BCADHN COCCCCN(C)CC[S@@](C)=O ZINC000828632423 587454852 /nfs/dbraw/zinc/45/48/52/587454852.db2.gz NBISOZLHMXMLSQ-CYBMUJFWSA-N 0 3 207.339 0.723 20 0 BCADHN CC1=NO[C@H](C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000828676838 587456776 /nfs/dbraw/zinc/45/67/76/587456776.db2.gz ANYJCOKPYYHSGZ-AXFHLTTASA-N 0 3 239.319 0.750 20 0 BCADHN CC1=NO[C@@H](C(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000828681746 587457117 /nfs/dbraw/zinc/45/71/17/587457117.db2.gz ZIGQLRZJORBISL-WDEREUQCSA-N 0 3 239.319 0.704 20 0 BCADHN CCCOC(=O)CCNC(=O)[C@H]1NCC1(C)C ZINC000828883486 587465615 /nfs/dbraw/zinc/46/56/15/587465615.db2.gz NOBZLFHIVXTUBB-SNVBAGLBSA-N 0 3 242.319 0.444 20 0 BCADHN CC[C@H](C(=O)N[C@@H](C)c1ccnn1C)N(C)C ZINC000828937681 587473493 /nfs/dbraw/zinc/47/34/93/587473493.db2.gz BXTIHVUHABMAPC-VHSXEESVSA-N 0 3 238.335 0.938 20 0 BCADHN CC(C)C[C@@H](CO)N(C)CC[S@](C)=O ZINC000828954338 587475674 /nfs/dbraw/zinc/47/56/74/587475674.db2.gz SUAMEXNODCETQH-HZMBPMFUSA-N 0 3 221.366 0.704 20 0 BCADHN CCC[C@H](O)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000828959771 587475914 /nfs/dbraw/zinc/47/59/14/587475914.db2.gz PBFIAEPXMRINIV-UTUOFQBUSA-N 0 3 240.347 0.843 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCOC1 ZINC000828960930 587475954 /nfs/dbraw/zinc/47/59/54/587475954.db2.gz UBLOVRWJMUDMTM-IJLUTSLNSA-N 0 3 238.331 0.718 20 0 BCADHN CO[C@@H]1C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000828959401 587476014 /nfs/dbraw/zinc/47/60/14/587476014.db2.gz NCAXCXHUVZBFSQ-NOOOWODRSA-N 0 3 238.331 0.716 20 0 BCADHN CC(C)c1nccn1CCNC(=O)[C@@H]1C[C@@H]1N ZINC000828965329 587476483 /nfs/dbraw/zinc/47/64/83/587476483.db2.gz JCNOCBNVKDNDMI-ZJUUUORDSA-N 0 3 236.319 0.470 20 0 BCADHN CC(C)c1nccn1CCNC(=O)[C@H](C)N ZINC000828965935 587476537 /nfs/dbraw/zinc/47/65/37/587476537.db2.gz RHUOMIFGSFESNQ-VIFPVBQESA-N 0 3 224.308 0.470 20 0 BCADHN [NH3+][C@H](CC(=O)Nc1ccncc1[O-])C1CC1 ZINC000828974446 587476835 /nfs/dbraw/zinc/47/68/35/587476835.db2.gz UNXVRGFBLUBXEF-MRVPVSSYSA-N 0 3 221.260 0.275 20 0 BCADHN CC(C)C1(O)CN(C[C@@H]2CCNC(=O)CC2)C1 ZINC000829291179 587491979 /nfs/dbraw/zinc/49/19/79/587491979.db2.gz LGCPQJVJPQSUQG-NSHDSACASA-N 0 3 240.347 0.605 20 0 BCADHN CC(C(=O)NC[C@]1(O)CCN(C)C1)=C1CCC1 ZINC000829327962 587492872 /nfs/dbraw/zinc/49/28/72/587492872.db2.gz PRMGZVLZPBHEAU-CYBMUJFWSA-N 0 3 238.331 0.670 20 0 BCADHN CC(C(=O)NC[C@@]1(O)CCN(C)C1)=C1CCC1 ZINC000829327963 587492983 /nfs/dbraw/zinc/49/29/83/587492983.db2.gz PRMGZVLZPBHEAU-ZDUSSCGKSA-N 0 3 238.331 0.670 20 0 BCADHN CCSCN1C(C)C(=O)N(C)S1(=O)=O ZINC000829560557 587503257 /nfs/dbraw/zinc/50/32/57/587503257.db2.gz NUZKTORGILVKNO-ZCFIWIBFSA-N 0 3 238.334 0.104 20 0 BCADHN N[C@@H](C(=O)NCCOc1cccnc1)C1CCC1 ZINC000829636780 587506956 /nfs/dbraw/zinc/50/69/56/587506956.db2.gz ILLTXPJHVDDYAT-GFCCVEGCSA-N 0 3 249.314 0.704 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCCOc1cccnc1 ZINC000829637639 587507268 /nfs/dbraw/zinc/50/72/68/587507268.db2.gz ZBVNRYPYDUKBHH-LLVKDONJSA-N 0 3 249.314 0.575 20 0 BCADHN CN(CCO)CCNC(=O)C[C@@H]1CC=CCC1 ZINC000829749593 587513768 /nfs/dbraw/zinc/51/37/68/587513768.db2.gz KNQWVAYKLHUHNZ-GFCCVEGCSA-N 0 3 240.347 0.773 20 0 BCADHN CN(CCO)CCNC(=O)[C@]12C[C@H]1CCC2 ZINC000829756706 587514083 /nfs/dbraw/zinc/51/40/83/587514083.db2.gz OPHDAAZVPQDZLM-ZYHUDNBSSA-N 0 3 226.320 0.217 20 0 BCADHN CCCN1CCC[C@H]1C(=O)N1CC=C(N)N1 ZINC000829825256 587520848 /nfs/dbraw/zinc/52/08/48/587520848.db2.gz MEFKWXFKKAQWOU-VIFPVBQESA-N 0 3 224.308 0.008 20 0 BCADHN CC1(C)CN(C(=O)[C@@]2(F)CCNC2)CCCO1 ZINC000829882812 587527108 /nfs/dbraw/zinc/52/71/08/587527108.db2.gz BVMYVFNESOLIMJ-GFCCVEGCSA-N 0 3 244.310 0.716 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000829940635 587529157 /nfs/dbraw/zinc/52/91/57/587529157.db2.gz PLRFBHGHPPNYDV-NXEZZACHSA-N 0 3 236.319 0.409 20 0 BCADHN COCCN1[C@H](C)CN(CC[C@H](C)O)C[C@@H]1C ZINC000830074717 587534514 /nfs/dbraw/zinc/53/45/14/587534514.db2.gz OETRUWWESOXRAP-XQQFMLRXSA-N 0 3 244.379 0.798 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCC1OCCCO1 ZINC000830085525 587535125 /nfs/dbraw/zinc/53/51/25/587535125.db2.gz HMAWLYCRTKJYPT-NXEZZACHSA-N 0 3 231.292 0.143 20 0 BCADHN CO[C@@H]1COC[C@H]1NCCC(=O)N1CCCC1 ZINC000830109263 587535981 /nfs/dbraw/zinc/53/59/81/587535981.db2.gz MEJULQPCSABDHR-GHMZBOCLSA-N 0 3 242.319 0.002 20 0 BCADHN C[C@H]1[C@@H](NC(=O)COC(F)(F)F)CCN1C ZINC000830111299 587536336 /nfs/dbraw/zinc/53/63/36/587536336.db2.gz MCOOQOXFANNPDJ-BQBZGAKWSA-N 0 3 240.225 0.732 20 0 BCADHN CCCCOC(=O)CCN(C)CCNC(C)=O ZINC000830115699 587537202 /nfs/dbraw/zinc/53/72/02/587537202.db2.gz NFPZQASBARFILA-UHFFFAOYSA-N 0 3 244.335 0.788 20 0 BCADHN CC(=O)NCCN(C)CCCCCCO ZINC000830130538 587538039 /nfs/dbraw/zinc/53/80/39/587538039.db2.gz BGNJBDMHRHHUCN-UHFFFAOYSA-N 0 3 216.325 0.607 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCN1C ZINC000830136071 587538260 /nfs/dbraw/zinc/53/82/60/587538260.db2.gz VELXOEXQUWXXNH-RYUDHWBXSA-N 0 3 239.363 0.680 20 0 BCADHN CC(C)N(C[C@@H](O)CN1CCCC1)C1COC1 ZINC000830217313 587541499 /nfs/dbraw/zinc/54/14/99/587541499.db2.gz HFDRIIGPVMAFAE-ZDUSSCGKSA-N 0 3 242.363 0.552 20 0 BCADHN C[C@@H]1CN(C(=O)CN(C)C(C)(C)C)CCO1 ZINC000830536692 587556422 /nfs/dbraw/zinc/55/64/22/587556422.db2.gz RPABDXSLJQGNSE-SNVBAGLBSA-N 0 3 228.336 0.964 20 0 BCADHN CC[C@H]1[C@@H](CO)CCN1CC(=O)N(C)OC ZINC000830719814 587564706 /nfs/dbraw/zinc/56/47/06/587564706.db2.gz HNHRNCVTCLZSEH-ZJUUUORDSA-N 0 3 230.308 0.099 20 0 BCADHN CC[C@@H]1[C@H](CO)CCN1CC1OCCO1 ZINC000830719842 587565235 /nfs/dbraw/zinc/56/52/35/587565235.db2.gz IFYNGDYXQZUVMZ-VHSXEESVSA-N 0 3 215.293 0.452 20 0 BCADHN C[C@@H](O)CCN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830905801 587576842 /nfs/dbraw/zinc/57/68/42/587576842.db2.gz LJGDCMODHSHMFL-BBBLOLIVSA-N 0 3 228.292 0.188 20 0 BCADHN C[C@@H]1CC[C@@H](O)CN1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000831007975 587582161 /nfs/dbraw/zinc/58/21/61/587582161.db2.gz PMAUVPRVWUELCI-MXWKQRLJSA-N 0 3 239.315 0.927 20 0 BCADHN COC[C@@H]1CCCN1C(=O)[C@]1(F)CCNC1 ZINC000831038086 587582980 /nfs/dbraw/zinc/58/29/80/587582980.db2.gz CVGPFPVGYBXGSP-ONGXEEELSA-N 0 3 230.283 0.325 20 0 BCADHN COC[C@@H]1CCCN1C(=O)[C@@]1(F)CCNC1 ZINC000831038081 587583876 /nfs/dbraw/zinc/58/38/76/587583876.db2.gz CVGPFPVGYBXGSP-GXSJLCMTSA-N 0 3 230.283 0.325 20 0 BCADHN O=C(N1CC[C@]2(CCOC2)C1)[C@@]1(F)CCNC1 ZINC000831217540 587592565 /nfs/dbraw/zinc/59/25/65/587592565.db2.gz BITDRAWZLYGQBO-NWDGAFQWSA-N 0 3 242.294 0.327 20 0 BCADHN CCCN(C)CC(=O)N[C@@H](CC)C[C@H](C)O ZINC000831269288 587594750 /nfs/dbraw/zinc/59/47/50/587594750.db2.gz OIHVYNRLJARRAA-QWRGUYRKSA-N 0 3 230.352 0.994 20 0 BCADHN CO[C@H]1C[C@@H](NCC2OCCO2)C1(C)C ZINC000831339814 587599546 /nfs/dbraw/zinc/59/95/46/587599546.db2.gz XAEYOJFBBSOGLH-BDAKNGLRSA-N 0 3 215.293 0.762 20 0 BCADHN CO[C@@H]1C[C@@H](N[C@H]2CCC(=O)NC2=O)C1(C)C ZINC000831338336 587599607 /nfs/dbraw/zinc/59/96/07/587599607.db2.gz HVGQEEMLGLSJCI-DJLDLDEBSA-N 0 3 240.303 0.195 20 0 BCADHN C[C@@H](NC(=O)[C@@]1(F)CCNC1)c1cn[nH]c1 ZINC000831461278 587610029 /nfs/dbraw/zinc/61/00/29/587610029.db2.gz JIYJJNJDOWIWCP-GMSGAONNSA-N 0 3 226.255 0.289 20 0 BCADHN C[C@@H]1C[C@H](CNC(=O)[C@@]2(F)CCNC2)CCO1 ZINC000831502631 587615028 /nfs/dbraw/zinc/61/50/28/587615028.db2.gz WOAPSEUXCYXKBN-CKYFFXLPSA-N 0 3 244.310 0.619 20 0 BCADHN C[C@@H]1CN(C(=O)c2cccc[n+]2[O-])[C@@H](C)CN1 ZINC000831546022 587618319 /nfs/dbraw/zinc/61/83/19/587618319.db2.gz HECCGIMJISJNDE-ZJUUUORDSA-N 0 3 235.287 0.142 20 0 BCADHN C[C@@H]1CN(C(=O)c2cccc[n+]2[O-])[C@H](C)CN1 ZINC000831546019 587618521 /nfs/dbraw/zinc/61/85/21/587618521.db2.gz HECCGIMJISJNDE-NXEZZACHSA-N 0 3 235.287 0.142 20 0 BCADHN C[C@@H]1CN(C(=O)c2cccc(CN)c2)CCN1 ZINC000831578309 587620072 /nfs/dbraw/zinc/62/00/72/587620072.db2.gz NTMMWIXDJITGPI-SNVBAGLBSA-N 0 3 233.315 0.579 20 0 BCADHN CC(C)[C@H]1CN(C(=O)c2cnsn2)CCN1 ZINC000831594839 587622216 /nfs/dbraw/zinc/62/22/16/587622216.db2.gz YLSWWFAZOBQXIT-SECBINFHSA-N 0 3 240.332 0.608 20 0 BCADHN C[C@H]1CN(C(=O)c2cccc(CN)c2)CCN1 ZINC000831611257 587623642 /nfs/dbraw/zinc/62/36/42/587623642.db2.gz NTMMWIXDJITGPI-JTQLQIEISA-N 0 3 233.315 0.579 20 0 BCADHN C/C=C\C(=O)NC[C@@H](CN(C)C)OCC ZINC000831707685 587628435 /nfs/dbraw/zinc/62/84/35/587628435.db2.gz KGXCDRPXAHZORF-BXKUYDPTSA-N 0 3 214.309 0.645 20 0 BCADHN CCO[C@H](CNC(=O)[C@@H](CC)CO)CN(C)C ZINC000831708942 587628666 /nfs/dbraw/zinc/62/86/66/587628666.db2.gz VOWLFMYXJACYQZ-WDEREUQCSA-N 0 3 246.351 0.088 20 0 BCADHN CCO[C@@H](CNC(=O)c1ncc[nH]1)CN(C)C ZINC000831713899 587628944 /nfs/dbraw/zinc/62/89/44/587628944.db2.gz QXKZVXPRIDGUPR-VIFPVBQESA-N 0 3 240.307 0.106 20 0 BCADHN CCO[C@H](CNC(=O)c1ncc[nH]1)CN(C)C ZINC000831713893 587629033 /nfs/dbraw/zinc/62/90/33/587629033.db2.gz QXKZVXPRIDGUPR-SECBINFHSA-N 0 3 240.307 0.106 20 0 BCADHN CCO[C@H](CNC(=O)CC(C)(C)O)CN(C)C ZINC000831724755 587629279 /nfs/dbraw/zinc/62/92/79/587629279.db2.gz RXTRPRRLTGXZKV-SNVBAGLBSA-N 0 3 246.351 0.230 20 0 BCADHN CC(C)COC(=O)CN1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000831727869 587629412 /nfs/dbraw/zinc/62/94/12/587629412.db2.gz AFAIFZDXVUHDDC-NWDGAFQWSA-N 0 3 240.347 0.822 20 0 BCADHN CCO[C@@H](CNC(=O)[C@H](CC)OC)CN(C)C ZINC000831751376 587629470 /nfs/dbraw/zinc/62/94/70/587629470.db2.gz JLKIIRDNEZACQU-QWRGUYRKSA-N 0 3 246.351 0.494 20 0 BCADHN CCO[C@H](CNC(=O)c1cnco1)CN(C)C ZINC000831738113 587629748 /nfs/dbraw/zinc/62/97/48/587629748.db2.gz NKSLMLUSWUTRDB-SECBINFHSA-N 0 3 241.291 0.371 20 0 BCADHN CCO[C@@H](CNC(=O)C[C@H](C)OC)CN(C)C ZINC000831751226 587629801 /nfs/dbraw/zinc/62/98/01/587629801.db2.gz GRWMCWTXMGSTMO-QWRGUYRKSA-N 0 3 246.351 0.494 20 0 BCADHN CCOCCC(=O)NC[C@@H](CN(C)C)OCC ZINC000831750972 587629875 /nfs/dbraw/zinc/62/98/75/587629875.db2.gz CCAROSWYUBDMHR-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CCO[C@H](CNC(=O)/C=C\SC)CN(C)C ZINC000831737635 587629982 /nfs/dbraw/zinc/62/99/82/587629982.db2.gz JOPAGZQRKNVTAS-JYESYGNLSA-N 0 3 246.376 0.946 20 0 BCADHN CSC(C)(C)C(=O)NCCOCCN(C)C ZINC000831755267 587630166 /nfs/dbraw/zinc/63/01/66/587630166.db2.gz CIXLFUNMKPYWEQ-UHFFFAOYSA-N 0 3 248.392 0.822 20 0 BCADHN CCO[C@H](CNC(=O)C(C)(C)OC)CN(C)C ZINC000831752540 587630198 /nfs/dbraw/zinc/63/01/98/587630198.db2.gz YPCOARZCWJLICP-SNVBAGLBSA-N 0 3 246.351 0.494 20 0 BCADHN CCCOCC(=O)NC[C@@H](CN(C)C)OCC ZINC000831757313 587630463 /nfs/dbraw/zinc/63/04/63/587630463.db2.gz OWOKABJEKFPDDH-NSHDSACASA-N 0 3 246.351 0.496 20 0 BCADHN CCO[C@H](CNC(=O)[C@H]1CCOC1)CN(C)C ZINC000831758569 587630561 /nfs/dbraw/zinc/63/05/61/587630561.db2.gz ZLRPPTGHYRZXJQ-WDEREUQCSA-N 0 3 244.335 0.106 20 0 BCADHN CCO[C@H](CNC(=O)[C@@H](C)OCC)CN(C)C ZINC000831766688 587630843 /nfs/dbraw/zinc/63/08/43/587630843.db2.gz VQOAQQOPYOUUJY-GHMZBOCLSA-N 0 3 246.351 0.494 20 0 BCADHN CCO[C@@H](CNC(=O)c1ccoc1)CN(C)C ZINC000831770909 587631426 /nfs/dbraw/zinc/63/14/26/587631426.db2.gz GIFBIAYULNJDDV-NSHDSACASA-N 0 3 240.303 0.976 20 0 BCADHN CC(C)OC(=O)CCNC(=O)[C@]1(F)CCNC1 ZINC000831789313 587632008 /nfs/dbraw/zinc/63/20/08/587632008.db2.gz LXTOUVMZJZJZJE-NSHDSACASA-N 0 3 246.282 0.146 20 0 BCADHN Cc1ccc(NC(=O)[C@]2(F)CCNC2)c(=O)[nH]1 ZINC000831927191 587637028 /nfs/dbraw/zinc/63/70/28/587637028.db2.gz IKOZMJNTUIWWGK-NSHDSACASA-N 0 3 239.250 0.736 20 0 BCADHN C[C@@H](N)C(=O)N[C@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000831921042 587637062 /nfs/dbraw/zinc/63/70/62/587637062.db2.gz HENAMRMMLUJBSJ-SOCHQFKDSA-N 0 3 240.278 0.711 20 0 BCADHN O=C(NCC[C@H]1CCCCO1)[C@]1(F)CCNC1 ZINC000831953310 587638627 /nfs/dbraw/zinc/63/86/27/587638627.db2.gz YYVIFPAHTPYCLU-PWSUYJOCSA-N 0 3 244.310 0.763 20 0 BCADHN Cc1nc(C)c(CNC(=O)[C@]2(F)CCNC2)o1 ZINC000831960077 587639292 /nfs/dbraw/zinc/63/92/92/587639292.db2.gz DPHAFBQVIQFSPD-NSHDSACASA-N 0 3 241.266 0.609 20 0 BCADHN CN(C(=O)c1cccc(CN)c1)C1CC(O)C1 ZINC000832105321 587645025 /nfs/dbraw/zinc/64/50/25/587645025.db2.gz RFEQLPQWOOUYAL-UHFFFAOYSA-N 0 3 234.299 0.741 20 0 BCADHN CC1(C)CN[C@@H]1C(=O)NCCOC(=O)C1CC1 ZINC000832182016 587648550 /nfs/dbraw/zinc/64/85/50/587648550.db2.gz BRJXJHFWGSFUGF-SECBINFHSA-N 0 3 240.303 0.054 20 0 BCADHN CC(C)C[C@H](N)C(=O)NCCOC(=O)C1CC1 ZINC000832183328 587649392 /nfs/dbraw/zinc/64/93/92/587649392.db2.gz XTBCQUAGWQTHJL-JTQLQIEISA-N 0 3 242.319 0.429 20 0 BCADHN COC(=O)NCC(=O)Nc1cccc(CN)c1 ZINC000832222649 587651271 /nfs/dbraw/zinc/65/12/71/587651271.db2.gz FRRQHAJPFPEOPY-UHFFFAOYSA-N 0 3 237.259 0.440 20 0 BCADHN Nc1ccc(C(=O)NCCC[NH3+])c([O-])c1 ZINC000832231374 587651764 /nfs/dbraw/zinc/65/17/64/587651764.db2.gz DPYKBZUHYWHZMT-UHFFFAOYSA-N 0 3 209.249 0.053 20 0 BCADHN CN(C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC(=O)C1 ZINC000832490965 587663321 /nfs/dbraw/zinc/66/33/21/587663321.db2.gz SEMBOJHRSGKYHA-YUSALJHKSA-N 0 3 238.331 0.955 20 0 BCADHN CCO[C@@H]1CCC[C@H]1NCC1OCCO1 ZINC000832574612 587667821 /nfs/dbraw/zinc/66/78/21/587667821.db2.gz MKQHOHQDXPXKHR-NXEZZACHSA-N 0 3 215.293 0.907 20 0 BCADHN COC[C@H]1CCCCN1CC1OCCO1 ZINC000832616382 587669719 /nfs/dbraw/zinc/66/97/19/587669719.db2.gz ZXGWWLRLEJJNNA-SNVBAGLBSA-N 0 3 215.293 0.860 20 0 BCADHN CN(C)C1(CN(C)C(=O)[C@@H](O)C2CC2)CCC1 ZINC000832717099 587679249 /nfs/dbraw/zinc/67/92/49/587679249.db2.gz XNRNNJIKCPSZNO-NSHDSACASA-N 0 3 240.347 0.700 20 0 BCADHN CC(C)=CC(=O)NC[C@H]1CCCCN1CCO ZINC000833565240 587720578 /nfs/dbraw/zinc/72/05/78/587720578.db2.gz ADHUQGGBKAKCOC-GFCCVEGCSA-N 0 3 240.347 0.916 20 0 BCADHN C[C@H](CC(=O)N1CCN(C)C[C@H]1CN)C1CC1 ZINC000834299741 587750811 /nfs/dbraw/zinc/75/08/11/587750811.db2.gz ZAOYZWQSYTYCLX-ZYHUDNBSSA-N 0 3 239.363 0.524 20 0 BCADHN C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(N)cc1[O-] ZINC000834365588 587753383 /nfs/dbraw/zinc/75/33/83/587753383.db2.gz IBQQUUJXTVVTTQ-DTWKUNHWSA-N 0 3 249.314 0.784 20 0 BCADHN C/C=C(/C)C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000834563733 587759512 /nfs/dbraw/zinc/75/95/12/587759512.db2.gz FSRKDNMATVPHRT-PTJCHJMSSA-N 0 3 240.347 0.868 20 0 BCADHN C/C=C\C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000834568841 587759583 /nfs/dbraw/zinc/75/95/83/587759583.db2.gz DPNNVJBUZXVFQI-TXNVCOODSA-N 0 3 226.320 0.478 20 0 BCADHN C[NH+]1CCC(C(=O)[N-]OCC(C)(C)O)CC1 ZINC000834624173 587761696 /nfs/dbraw/zinc/76/16/96/587761696.db2.gz ALAMMGGOUSRMRH-UHFFFAOYSA-N 0 3 230.308 0.147 20 0 BCADHN C[C@@H]1C[C@H](NC(=O)c2ccc(N)cc2[O-])CC[NH2+]1 ZINC000834678294 587763871 /nfs/dbraw/zinc/76/38/71/587763871.db2.gz UFBBYCHWLMFRDI-PSASIEDQSA-N 0 3 249.314 0.845 20 0 BCADHN C[C@H]([NH3+])CNC(=O)c1ccc(N)cc1[O-] ZINC000834686056 587764038 /nfs/dbraw/zinc/76/40/38/587764038.db2.gz BSADKVAYEIZNLQ-LURJTMIESA-N 0 3 209.249 0.051 20 0 BCADHN COC/C=C\C(=O)NCCN1CC=C(C)CC1 ZINC000834804252 587767066 /nfs/dbraw/zinc/76/70/66/587767066.db2.gz LCOHZLRDAIVYBO-ARJAWSKDSA-N 0 3 238.331 0.957 20 0 BCADHN COCCN(C)CCCNC(=O)NOC(C)C ZINC000834936792 587771543 /nfs/dbraw/zinc/77/15/43/587771543.db2.gz DLJZIAOTRAFBPN-UHFFFAOYSA-N 0 3 247.339 0.594 20 0 BCADHN CCC[C@@H](COC(=O)C1CCN(C)C1=O)OC ZINC000835546478 587807244 /nfs/dbraw/zinc/80/72/44/587807244.db2.gz TYXXWYGKFRPBNZ-VHSXEESVSA-N 0 3 243.303 0.823 20 0 BCADHN COCCN(C)CCNC(=O)NOC1CCC1 ZINC000836281329 587829924 /nfs/dbraw/zinc/82/99/24/587829924.db2.gz FUFQWROPFJZVHJ-UHFFFAOYSA-N 0 3 245.323 0.348 20 0 BCADHN CN(C)CC(C)(C)NC(=O)[C@@H]1CSC(=O)N1 ZINC000837241424 587860671 /nfs/dbraw/zinc/86/06/71/587860671.db2.gz FLECSWGGDGLHDB-ZETCQYMHSA-N 0 3 245.348 0.268 20 0 BCADHN CCCN(C)CC(=O)N[C@@H]1C(=O)OCC1(C)C ZINC000837633504 587887051 /nfs/dbraw/zinc/88/70/51/587887051.db2.gz QBLMQXHDZKYZDM-SNVBAGLBSA-N 0 3 242.319 0.396 20 0 BCADHN CCNC(=S)NC[C@H]1CCCN1CCCO ZINC000840780130 587921524 /nfs/dbraw/zinc/92/15/24/587921524.db2.gz QFYPTOGNLJGFJC-SNVBAGLBSA-N 0 3 245.392 0.317 20 0 BCADHN COCCNC(=O)C1(N[C@H]2CC[C@@H]2C)CC1 ZINC000840822455 587923111 /nfs/dbraw/zinc/92/31/11/587923111.db2.gz NTCWTJZPVWGXNY-UWVGGRQHSA-N 0 3 226.320 0.670 20 0 BCADHN CN(C)C1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC000841455409 587955448 /nfs/dbraw/zinc/95/54/48/587955448.db2.gz QQGJHYBCLLUREJ-UHFFFAOYSA-N 0 3 239.363 0.681 20 0 BCADHN CCC1(C(=O)NCC2(N(C)C)CC2)COC1 ZINC000841455645 587955827 /nfs/dbraw/zinc/95/58/27/587955827.db2.gz XMOIECXJIUCYJK-UHFFFAOYSA-N 0 3 226.320 0.623 20 0 BCADHN C[C@@H](C[NH3+])CNC(=O)c1ccc(N)cc1[O-] ZINC000841848623 587977641 /nfs/dbraw/zinc/97/76/41/587977641.db2.gz SJHTXGDBUAVFMX-ZETCQYMHSA-N 0 3 223.276 0.299 20 0 BCADHN C[C@H]1CN(C(=O)c2ccc(N)cc2O)C[C@H](C)N1 ZINC000841854724 587978428 /nfs/dbraw/zinc/97/84/28/587978428.db2.gz GRKLIVQAYSAZAJ-IUCAKERBSA-N 0 3 249.314 0.797 20 0 BCADHN CCn1nncc1CNC[C@H](O)CC(C)C ZINC000841860388 587979031 /nfs/dbraw/zinc/97/90/31/587979031.db2.gz SEPOWKOHVXFBCW-LLVKDONJSA-N 0 3 226.324 0.795 20 0 BCADHN Cc1cc(CN2CC[C@@H]3CN(C)C[C@H]32)n(C)n1 ZINC000841888953 587981142 /nfs/dbraw/zinc/98/11/42/587981142.db2.gz LKNKLBUQVUUICH-DGCLKSJQSA-N 0 3 234.347 0.864 20 0 BCADHN Cc1cc(CN2CC[C@H]3CN(C)C[C@H]32)n(C)n1 ZINC000841888954 587981448 /nfs/dbraw/zinc/98/14/48/587981448.db2.gz LKNKLBUQVUUICH-WCQYABFASA-N 0 3 234.347 0.864 20 0 BCADHN Cc1cc(CN2CC[C@@H]3CN(C)C[C@@H]32)n(C)n1 ZINC000841888955 587981489 /nfs/dbraw/zinc/98/14/89/587981489.db2.gz LKNKLBUQVUUICH-YPMHNXCESA-N 0 3 234.347 0.864 20 0 BCADHN CC[C@@H](C)CONC(=O)N1CCCNCC1 ZINC000841909999 587983825 /nfs/dbraw/zinc/98/38/25/587983825.db2.gz GIYZHSWFYZTYOL-SNVBAGLBSA-N 0 3 229.324 0.969 20 0 BCADHN C[C@@H]1CN(C(=O)NOCC2CC2)[C@H](C)CN1 ZINC000841909400 587983871 /nfs/dbraw/zinc/98/38/71/587983871.db2.gz FQTIXWDFWVBHJG-RKDXNWHRSA-N 0 3 227.308 0.720 20 0 BCADHN C[C@@H]1[C@@H](C)[C@H](C)CN1CCS(N)(=O)=O ZINC000842167639 588005551 /nfs/dbraw/zinc/00/55/51/588005551.db2.gz WTPYXAJQQQKAPQ-HRDYMLBCSA-N 0 3 220.338 0.251 20 0 BCADHN CC[C@H](C(=O)NCCN1CCC[C@H]1C)[C@@H](C)O ZINC000842250804 588009098 /nfs/dbraw/zinc/00/90/98/588009098.db2.gz LLVSVBMQUNEBST-UTUOFQBUSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@@H]1CN(c2nccc(N3CCCC3)n2)CCN1 ZINC000842274990 588011694 /nfs/dbraw/zinc/01/16/94/588011694.db2.gz SZHXWCJKWMTLDL-LLVKDONJSA-N 0 3 247.346 0.875 20 0 BCADHN C[C@@H]1C[C@@H](NC[C@H](O)c2cnn(C)c2)CO1 ZINC000842685398 588052575 /nfs/dbraw/zinc/05/25/75/588052575.db2.gz ULTATRKPYAVWEX-IEBDPFPHSA-N 0 3 225.292 0.221 20 0 BCADHN C[C@H]1C[C@@H](NC[C@H](O)C(F)(F)F)CO1 ZINC000842701011 588053848 /nfs/dbraw/zinc/05/38/48/588053848.db2.gz DXWWXNCTLFBLNE-XVMARJQXSA-N 0 3 213.199 0.677 20 0 BCADHN C[C@H]1C[C@@H](NCCS(=O)(=O)C2CC2)CO1 ZINC000842710704 588054825 /nfs/dbraw/zinc/05/48/25/588054825.db2.gz BYAGANHRXAWLHC-DTWKUNHWSA-N 0 3 233.333 0.331 20 0 BCADHN CCN(OC)C(=O)CNC[C@@H]1CCCOC1 ZINC000842768566 588061255 /nfs/dbraw/zinc/06/12/55/588061255.db2.gz AZSLVEBIRZEQRL-JTQLQIEISA-N 0 3 230.308 0.413 20 0 BCADHN COc1ccccc1[C@H](O)CNC[C@H](C)O ZINC000843065857 588078691 /nfs/dbraw/zinc/07/86/91/588078691.db2.gz QULQGROAWZGZPT-GXSJLCMTSA-N 0 3 225.288 0.699 20 0 BCADHN CC(C)C[C@@H](O)CNC[C@@H](C)S(C)(=O)=O ZINC000843070349 588079124 /nfs/dbraw/zinc/07/91/24/588079124.db2.gz PEASRTPHYHHJRI-NXEZZACHSA-N 0 3 237.365 0.416 20 0 BCADHN COC[C@H](O)CNC[C@@H](O)c1ccc(C)o1 ZINC000843084753 588080714 /nfs/dbraw/zinc/08/07/14/588080714.db2.gz CFRMMHGOVCONPS-NXEZZACHSA-N 0 3 229.276 0.218 20 0 BCADHN C[C@@H](CCO)NC[C@@H](O)c1ccc(F)cn1 ZINC000843084341 588080763 /nfs/dbraw/zinc/08/07/63/588080763.db2.gz WPUOCRSNOSXXPK-GZMMTYOYSA-N 0 3 228.267 0.615 20 0 BCADHN COC[C@H](O)CNC[C@@H](O)c1cccc(C)c1 ZINC000843087130 588080809 /nfs/dbraw/zinc/08/08/09/588080809.db2.gz JBVKRXSVMAUHSH-CHWSQXEVSA-N 0 3 239.315 0.625 20 0 BCADHN C[C@@H](NCCC(N)=O)[C@H](O)c1cccc(F)c1 ZINC000843103574 588081581 /nfs/dbraw/zinc/08/15/81/588081581.db2.gz MNTKETPLOZIQGN-PELKAZGASA-N 0 3 240.278 0.713 20 0 BCADHN CON(C)C(=O)CCN[C@@H](CO)CC(F)F ZINC000843111205 588082033 /nfs/dbraw/zinc/08/20/33/588082033.db2.gz RMIXSUDTBIYSAS-SSDOTTSWSA-N 0 3 240.250 0.002 20 0 BCADHN COC[C@H](O)CNC[C@H](O)c1ccc(C)cc1 ZINC000843108692 588082303 /nfs/dbraw/zinc/08/23/03/588082303.db2.gz PEJBCQAKCXFKCV-OLZOCXBDSA-N 0 3 239.315 0.625 20 0 BCADHN O[C@H]1c2ccccc2OC[C@H]1NCC1(O)CCC1 ZINC000843117192 588082774 /nfs/dbraw/zinc/08/27/74/588082774.db2.gz OYZKRXTUCFANMI-YPMHNXCESA-N 0 3 249.310 0.986 20 0 BCADHN Cc1ccc([C@H](O)CN[C@@H]2COC[C@H]2O)cc1 ZINC000843117837 588082878 /nfs/dbraw/zinc/08/28/78/588082878.db2.gz VBDUAVONCBJAAN-JHJVBQTASA-N 0 3 237.299 0.378 20 0 BCADHN F[C@]1(c2nc(Cn3cccn3)no2)CCNC1 ZINC000843177651 588089605 /nfs/dbraw/zinc/08/96/05/588089605.db2.gz CFUJMUSPRZZXFL-SNVBAGLBSA-N 0 3 237.238 0.473 20 0 BCADHN Cc1cc(Cc2noc(C3(CN)CC3)n2)no1 ZINC000843188212 588091290 /nfs/dbraw/zinc/09/12/90/588091290.db2.gz QYUBCFPYRLBMJE-UHFFFAOYSA-N 0 3 234.259 0.947 20 0 BCADHN F[C@@]1(c2nc(-c3cocn3)no2)CCNC1 ZINC000843219973 588093989 /nfs/dbraw/zinc/09/39/89/588093989.db2.gz XFFQNIIPSCNECI-VIFPVBQESA-N 0 3 224.195 0.883 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cc(OC)ccc1N ZINC000843294850 588098355 /nfs/dbraw/zinc/09/83/55/588098355.db2.gz GWUBCKOZPFSPGU-MRVPVSSYSA-N 0 3 223.276 0.953 20 0 BCADHN NC1(C(=O)Nc2n[nH]c3ccccc32)CC1 ZINC000843359621 588103953 /nfs/dbraw/zinc/10/39/53/588103953.db2.gz OMEPPDBVUXXDPP-UHFFFAOYSA-N 0 3 216.244 0.993 20 0 BCADHN CCNCC(=O)NC[C@@H](O)C1CCCCC1 ZINC000843390276 588105349 /nfs/dbraw/zinc/10/53/49/588105349.db2.gz RKKXOBMPTCVGHJ-LLVKDONJSA-N 0 3 228.336 0.653 20 0 BCADHN CCNCC(=O)NC[C@@H](O)c1ccccc1F ZINC000843382155 588105610 /nfs/dbraw/zinc/10/56/10/588105610.db2.gz VILDKEIPRWIKKE-LLVKDONJSA-N 0 3 240.278 0.585 20 0 BCADHN CCNCC(=O)NC[C@H](O)c1cccc(F)c1 ZINC000843404825 588106692 /nfs/dbraw/zinc/10/66/92/588106692.db2.gz MUXDZINTVLDICC-NSHDSACASA-N 0 3 240.278 0.585 20 0 BCADHN CCN(OC)C(=O)CN[C@@H]1CCSC1 ZINC000843430367 588108458 /nfs/dbraw/zinc/10/84/58/588108458.db2.gz KEOLYAXQVVYHOB-MRVPVSSYSA-N 0 3 218.322 0.491 20 0 BCADHN CCN(OC)C(=O)CNC[C@@H]1C[C@@H]1C ZINC000843429999 588108521 /nfs/dbraw/zinc/10/85/21/588108521.db2.gz FQSKTPFSHKOYST-IUCAKERBSA-N 0 3 200.282 0.642 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CCSC1 ZINC000843430368 588108683 /nfs/dbraw/zinc/10/86/83/588108683.db2.gz KEOLYAXQVVYHOB-QMMMGPOBSA-N 0 3 218.322 0.491 20 0 BCADHN CCN(OC)C(=O)CN[C@H]1CCCOC1 ZINC000843430913 588109208 /nfs/dbraw/zinc/10/92/08/588109208.db2.gz RUMHOMWFWWMIAE-VIFPVBQESA-N 0 3 216.281 0.165 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)C[C@H]1CCOC1 ZINC000843430776 588109323 /nfs/dbraw/zinc/10/93/23/588109323.db2.gz PXTMXVCCDCGSIW-GHMZBOCLSA-N 0 3 244.335 0.801 20 0 BCADHN CCOC[C@@H](C)NCC(=O)N(CC)OC ZINC000843431262 588109396 /nfs/dbraw/zinc/10/93/96/588109396.db2.gz YTABOMCHGWXNSN-SECBINFHSA-N 0 3 218.297 0.411 20 0 BCADHN COC[C@@H](C)CN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843433743 588109565 /nfs/dbraw/zinc/10/95/65/588109565.db2.gz JBNKYTCNHYCPKO-AXFHLTTASA-N 0 3 242.319 0.699 20 0 BCADHN CCNCC(=O)NC[C@H](O)c1ccccc1C ZINC000843439131 588110262 /nfs/dbraw/zinc/11/02/62/588110262.db2.gz YWDLHAMOVYJTQM-LBPRGKRZSA-N 0 3 236.315 0.754 20 0 BCADHN COC(=O)CC(C)(C)NC(=O)[C@@H](C)NC1CC1 ZINC000843441065 588110388 /nfs/dbraw/zinc/11/03/88/588110388.db2.gz SEKSZHASBPTOJF-MRVPVSSYSA-N 0 3 242.319 0.585 20 0 BCADHN CCOC(=O)[C@@H](NC(=O)CNC)C(C)(C)C ZINC000843445526 588110700 /nfs/dbraw/zinc/11/07/00/588110700.db2.gz JHLSSUSGCSSQTQ-SECBINFHSA-N 0 3 230.308 0.300 20 0 BCADHN Cc1nonc1CNC(=O)[C@@H]1CCCCN1 ZINC000843441931 588110850 /nfs/dbraw/zinc/11/08/50/588110850.db2.gz PYBLGBBMDYPWNF-QMMMGPOBSA-N 0 3 224.264 0.136 20 0 BCADHN CCOC(=O)[C@@H](CC1CC1)NC(=O)CNC ZINC000843448749 588111227 /nfs/dbraw/zinc/11/12/27/588111227.db2.gz SORHQGUOAFQXTA-SECBINFHSA-N 0 3 228.292 0.054 20 0 BCADHN CCOC(=O)[C@H](CC1CC1)NC(=O)CNC ZINC000843448750 588111415 /nfs/dbraw/zinc/11/14/15/588111415.db2.gz SORHQGUOAFQXTA-VIFPVBQESA-N 0 3 228.292 0.054 20 0 BCADHN CC(C)(C)C(=O)C(=O)N[C@H]1CNCCC1(F)F ZINC000843484175 588112551 /nfs/dbraw/zinc/11/25/51/588112551.db2.gz MSXVTKBMDHLLJW-ZETCQYMHSA-N 0 3 248.273 0.715 20 0 BCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc[n+]([O-])c1 ZINC000843472135 588113591 /nfs/dbraw/zinc/11/35/91/588113591.db2.gz KRZULZBIUVIJNY-VHSXEESVSA-N 0 3 235.287 0.142 20 0 BCADHN CCNCC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000843495455 588115548 /nfs/dbraw/zinc/11/55/48/588115548.db2.gz RSPIVDWCVHBNFF-MNOVXSKESA-N 0 3 242.363 0.851 20 0 BCADHN CC[S@](=O)CCNC(=O)[C@@H]1CCN(C)[C@@H]1C ZINC000843793673 588140801 /nfs/dbraw/zinc/14/08/01/588140801.db2.gz DBSUIAKBJSMTSX-LYGAQUJYSA-N 0 3 246.376 0.211 20 0 BCADHN CCCN(C(=O)[C@@H](CC)CO)[C@H]1CCN(C)C1 ZINC000843990510 588153141 /nfs/dbraw/zinc/15/31/41/588153141.db2.gz UTKAZLHQDRZLDA-RYUDHWBXSA-N 0 3 242.363 0.948 20 0 BCADHN C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CO1 ZINC000844098409 588167256 /nfs/dbraw/zinc/16/72/56/588167256.db2.gz BECXANCOYLHITD-UWVGGRQHSA-N 0 3 226.320 0.764 20 0 BCADHN CCNCC(=O)NCc1cn2ccccc2n1 ZINC000844165698 588171511 /nfs/dbraw/zinc/17/15/11/588171511.db2.gz NKSYSFWQJKHSPM-UHFFFAOYSA-N 0 3 232.287 0.560 20 0 BCADHN CCNCC(=O)NC[C@@H](C)Cn1ccnc1 ZINC000844174860 588171854 /nfs/dbraw/zinc/17/18/54/588171854.db2.gz CSFWQRGFUGJNTI-SNVBAGLBSA-N 0 3 224.308 0.245 20 0 BCADHN CCNCC(=O)NCc1ccccc1N(C)C ZINC000844178851 588171991 /nfs/dbraw/zinc/17/19/91/588171991.db2.gz AJKBRTVPDFUHMV-UHFFFAOYSA-N 0 3 235.331 0.978 20 0 BCADHN CCNCC(=O)N(C)Cc1nnc2ccccn21 ZINC000844181321 588172074 /nfs/dbraw/zinc/17/20/74/588172074.db2.gz CLSQARCHLCSNEC-UHFFFAOYSA-N 0 3 247.302 0.297 20 0 BCADHN CCNCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000844174532 588172365 /nfs/dbraw/zinc/17/23/65/588172365.db2.gz JFLQJPUEPSAXIZ-SNVBAGLBSA-N 0 3 236.319 0.725 20 0 BCADHN C[C@H](N)C(=O)N(C)Cc1nnc2ccccn21 ZINC000844181244 588172400 /nfs/dbraw/zinc/17/24/00/588172400.db2.gz ASFRIWMAFNAQBG-QMMMGPOBSA-N 0 3 233.275 0.035 20 0 BCADHN CC[C@@H](N)C(=O)N(C)Cc1nnc2ccccn21 ZINC000844182263 588172423 /nfs/dbraw/zinc/17/24/23/588172423.db2.gz OCPMYHODKBIMIW-SECBINFHSA-N 0 3 247.302 0.425 20 0 BCADHN CN1CCN(c2ccccc2NC(=O)CN)CC1 ZINC000844191950 588172743 /nfs/dbraw/zinc/17/27/43/588172743.db2.gz UYFFZALPEVQNGC-UHFFFAOYSA-N 0 3 248.330 0.336 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)N(C)c1cn[nH]c1 ZINC000844190453 588173039 /nfs/dbraw/zinc/17/30/39/588173039.db2.gz GUGCCFZEJOGMFH-APPZFPTMSA-N 0 3 210.281 0.746 20 0 BCADHN CN(C(=O)[C@@]1(F)CCNC1)c1cn[nH]c1 ZINC000844191062 588173056 /nfs/dbraw/zinc/17/30/56/588173056.db2.gz PWYHHMDXFDDQSR-SECBINFHSA-N 0 3 212.228 0.074 20 0 BCADHN CC(C)(F)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000844196896 588173299 /nfs/dbraw/zinc/17/32/99/588173299.db2.gz DGCCEVSMJIVRCW-BQBZGAKWSA-N 0 3 206.236 0.551 20 0 BCADHN C[C@H]1NCCN(C(=O)c2ncccn2)[C@H]1C ZINC000844197380 588173549 /nfs/dbraw/zinc/17/35/49/588173549.db2.gz ZOXBWMACPMARSC-BDAKNGLRSA-N 0 3 220.276 0.299 20 0 BCADHN CCCN(C)C(=O)N1CCN(C)C[C@H]1CN ZINC000844226067 588174155 /nfs/dbraw/zinc/17/41/55/588174155.db2.gz BVGXSZJZJLCKMC-SNVBAGLBSA-N 0 3 228.340 0.023 20 0 BCADHN Cn1cc(CCN2CCNC[C@H]2C(F)F)cn1 ZINC000844224223 588174435 /nfs/dbraw/zinc/17/44/35/588174435.db2.gz NKUSBOATDZUVRH-JTQLQIEISA-N 0 3 244.289 0.502 20 0 BCADHN O=C1O[C@@H](CN2CCC[C@H](O)C2)CN1C1CC1 ZINC000844273275 588179115 /nfs/dbraw/zinc/17/91/15/588179115.db2.gz TZRWWHAPSJSCNQ-QWRGUYRKSA-N 0 3 240.303 0.426 20 0 BCADHN COCC(C)(C)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000844292972 588181450 /nfs/dbraw/zinc/18/14/50/588181450.db2.gz NAKAZGOPXSDFKX-JTQLQIEISA-N 0 3 242.319 0.984 20 0 BCADHN CN(C[C@@H]1CN(C2CC2)C(=O)O1)CC(C)(C)O ZINC000844298293 588182594 /nfs/dbraw/zinc/18/25/94/588182594.db2.gz QSTUNOJKZOOTFN-SNVBAGLBSA-N 0 3 242.319 0.672 20 0 BCADHN C[C@@H]1C[C@@H](O)CN1C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844311923 588183758 /nfs/dbraw/zinc/18/37/58/588183758.db2.gz AUXUUJBTHAZJJF-IEBDPFPHSA-N 0 3 240.303 0.425 20 0 BCADHN Cc1nnsc1CN[C@@H](CO)C1CC1 ZINC000844318354 588184021 /nfs/dbraw/zinc/18/40/21/588184021.db2.gz QUVCBFVQXPRDOK-QMMMGPOBSA-N 0 3 213.306 0.707 20 0 BCADHN Cc1nnsc1CN[C@H](CO)C1CC1 ZINC000844318351 588184469 /nfs/dbraw/zinc/18/44/69/588184469.db2.gz QUVCBFVQXPRDOK-MRVPVSSYSA-N 0 3 213.306 0.707 20 0 BCADHN COC[C@H](C)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000844322478 588184605 /nfs/dbraw/zinc/18/46/05/588184605.db2.gz CVBIGRACIUCSHF-WPRPVWTQSA-N 0 3 228.292 0.594 20 0 BCADHN CCN(C[C@@H]1CN(C2CC2)C(=O)O1)[C@H](C)CO ZINC000844331516 588185972 /nfs/dbraw/zinc/18/59/72/588185972.db2.gz KJVVCQIRJBMTQT-MWLCHTKSSA-N 0 3 242.319 0.672 20 0 BCADHN CC[C@@H](CO)N(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844333756 588185983 /nfs/dbraw/zinc/18/59/83/588185983.db2.gz LXFKEZBPIFVGGW-ONGXEEELSA-N 0 3 242.319 0.672 20 0 BCADHN COC[C@H]1C[C@@H](O)CN1CCC(=O)C1CC1 ZINC000844404566 588190421 /nfs/dbraw/zinc/19/04/21/588190421.db2.gz QGQCGRPEVZZURE-GHMZBOCLSA-N 0 3 227.304 0.437 20 0 BCADHN C[C@@H](CO)C1CCN(CC2OCCO2)CC1 ZINC000844416376 588191331 /nfs/dbraw/zinc/19/13/31/588191331.db2.gz NIMAWYHYQRPSQN-JTQLQIEISA-N 0 3 229.320 0.700 20 0 BCADHN O=[S@@]1C[C@@H]2C[C@H]1CN2CCCCCCO ZINC000844430781 588192256 /nfs/dbraw/zinc/19/22/56/588192256.db2.gz DPOFEVKQOKLOAD-ZIBATOQPSA-N 0 3 231.361 0.744 20 0 BCADHN C[C@H](CCO)N(C)C[C@H](O)c1ccc(F)cn1 ZINC000844449061 588195146 /nfs/dbraw/zinc/19/51/46/588195146.db2.gz IGSRMJDHNCETOY-SKDRFNHKSA-N 0 3 242.294 0.957 20 0 BCADHN C[C@H](CCO)N(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000844449927 588195211 /nfs/dbraw/zinc/19/52/11/588195211.db2.gz MMZGNXUMSAGJHU-ZJUUUORDSA-N 0 3 227.304 0.785 20 0 BCADHN CN1CC[C@H](N2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000844450616 588195451 /nfs/dbraw/zinc/19/54/51/588195451.db2.gz MBGVECWPPCVXCZ-RNJXMRFFSA-N 0 3 216.231 0.414 20 0 BCADHN CN(C)C(=O)CCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454738 588195833 /nfs/dbraw/zinc/19/58/33/588195833.db2.gz UOAYWQPWOWEWQD-OCAPTIKFSA-N 0 3 218.247 0.662 20 0 BCADHN CNC(=O)CCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844456191 588196141 /nfs/dbraw/zinc/19/61/41/588196141.db2.gz YRMBETGCYSDZBZ-KNVOCYPGSA-N 0 3 204.220 0.319 20 0 BCADHN CC(=O)NCCCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455794 588196242 /nfs/dbraw/zinc/19/62/42/588196242.db2.gz XXJFTAOBDBLJCM-DTORHVGOSA-N 0 3 218.247 0.710 20 0 BCADHN CCOCC[C@H](O)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844464610 588197148 /nfs/dbraw/zinc/19/71/48/588197148.db2.gz XQPJTFABZRJXBP-LPEHRKFASA-N 0 3 235.274 0.971 20 0 BCADHN CN(C)CC[C@@H](N)c1nc(CC2CC2)no1 ZINC000844680377 588213268 /nfs/dbraw/zinc/21/32/68/588213268.db2.gz IFLWCNJHWPCFNE-SECBINFHSA-N 0 3 224.308 0.974 20 0 BCADHN COC/C(C)=C/C(=O)NC[C@@H]1CCCN1C ZINC000845508686 588231361 /nfs/dbraw/zinc/23/13/61/588231361.db2.gz XVDQQJUGTIMODC-HUYFXPKMSA-N 0 3 226.320 0.790 20 0 BCADHN CC(=O)NCC(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845733389 588242726 /nfs/dbraw/zinc/24/27/26/588242726.db2.gz WPHCWFPMTQMRKI-SNVBAGLBSA-N 0 3 242.319 0.539 20 0 BCADHN O[C@@H]1CC[C@H]1NCc1cnnn1-c1ccccc1 ZINC000845986442 588252638 /nfs/dbraw/zinc/25/26/38/588252638.db2.gz XGHLSAGLSNUBPA-CHWSQXEVSA-N 0 3 244.298 0.880 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CCO[C@H]1C ZINC000846064987 588254434 /nfs/dbraw/zinc/25/44/34/588254434.db2.gz PJMNUFJVKVXPPS-IUCAKERBSA-N 0 3 216.281 0.163 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CCO[C@H]1C ZINC000846064986 588254531 /nfs/dbraw/zinc/25/45/31/588254531.db2.gz PJMNUFJVKVXPPS-DTWKUNHWSA-N 0 3 216.281 0.163 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CC[C@H]1C ZINC000846066414 588254628 /nfs/dbraw/zinc/25/46/28/588254628.db2.gz XPNHEQSGEVFGMU-RKDXNWHRSA-N 0 3 200.282 0.784 20 0 BCADHN CCON(C)C(=O)CN[C@H]1CC[C@@H]1C ZINC000846066412 588254820 /nfs/dbraw/zinc/25/48/20/588254820.db2.gz XPNHEQSGEVFGMU-IUCAKERBSA-N 0 3 200.282 0.784 20 0 BCADHN COC/C(C)=C\C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000846212178 588260578 /nfs/dbraw/zinc/26/05/78/588260578.db2.gz BDSJIWMJSSJNAN-LIPIYFLUSA-N 0 3 238.331 0.742 20 0 BCADHN COC(=O)[C@H]1CNCCCN1C/C=C/Cl ZINC000846221353 588261496 /nfs/dbraw/zinc/26/14/96/588261496.db2.gz XPMCSCVIGIDRKP-HDMKULJXSA-N 0 3 232.711 0.576 20 0 BCADHN C[C@@H](CC(=O)NOCCN(C)C)n1ccnc1 ZINC000846231311 588262092 /nfs/dbraw/zinc/26/20/92/588262092.db2.gz GPZYVLHQYQLYFX-JTQLQIEISA-N 0 3 240.307 0.444 20 0 BCADHN Cc1nonc1CC(=O)NC(C)(C)CN(C)C ZINC000846250984 588262784 /nfs/dbraw/zinc/26/27/84/588262784.db2.gz AFRQLGRAPLTPOA-UHFFFAOYSA-N 0 3 240.307 0.377 20 0 BCADHN C[C@@](O)(CNC(=O)CN)c1ccsc1 ZINC000846684360 588282591 /nfs/dbraw/zinc/28/25/91/588282591.db2.gz QXRPMTHYNSAXOR-SECBINFHSA-N 0 3 214.290 0.031 20 0 BCADHN C[C@@H]1SCC[C@@H]1NC(=O)[C@]1(F)CCNC1 ZINC000846686124 588282774 /nfs/dbraw/zinc/28/27/74/588282774.db2.gz HRLLBNGJODFMEN-NRPADANISA-N 0 3 232.324 0.698 20 0 BCADHN C[C@](O)(CNC(=O)C1(N)CCC1)c1ccco1 ZINC000846689074 588282829 /nfs/dbraw/zinc/28/28/29/588282829.db2.gz VZBAEAOQXBFYSU-NSHDSACASA-N 0 3 238.287 0.485 20 0 BCADHN CCNCC(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000846688361 588282903 /nfs/dbraw/zinc/28/29/03/588282903.db2.gz SHLYAFFAABEFEL-LLVKDONJSA-N 0 3 238.287 0.789 20 0 BCADHN CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2N)[C@@H](CC)CO1 ZINC000846688484 588283001 /nfs/dbraw/zinc/28/30/01/588283001.db2.gz SPNOJXVZGQAAOM-MMWGEVLESA-N 0 3 226.320 0.750 20 0 BCADHN O=C1C[C@H](NC2CCCC2)C(=O)N1CCCO ZINC000846703830 588283757 /nfs/dbraw/zinc/28/37/57/588283757.db2.gz QVTGCWMLVOUYBP-JTQLQIEISA-N 0 3 240.303 0.029 20 0 BCADHN C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(N)cc1[O-] ZINC000846741779 588284116 /nfs/dbraw/zinc/28/41/16/588284116.db2.gz DOCVGPOBXLQUJB-SCZZXKLOSA-N 0 3 249.314 0.926 20 0 BCADHN C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(N)cc1[O-] ZINC000846741778 588284162 /nfs/dbraw/zinc/28/41/62/588284162.db2.gz DOCVGPOBXLQUJB-PSASIEDQSA-N 0 3 249.314 0.926 20 0 BCADHN CCN1C[C@@H](CN(C)CC2(O)CCC2)OC1=O ZINC000846856449 588293793 /nfs/dbraw/zinc/29/37/93/588293793.db2.gz OTQRJGBXYJZRBU-SNVBAGLBSA-N 0 3 242.319 0.674 20 0 BCADHN CCN1C[C@H](CN(C)C2(CO)CCC2)OC1=O ZINC000846917451 588296919 /nfs/dbraw/zinc/29/69/19/588296919.db2.gz BYJQRNLYRSFAJJ-JTQLQIEISA-N 0 3 242.319 0.674 20 0 BCADHN C[C@]1(CNC(CO)CO)CC1(Cl)Cl ZINC000846937929 588297545 /nfs/dbraw/zinc/29/75/45/588297545.db2.gz GVVUCGLOOQVGCI-SSDOTTSWSA-N 0 3 228.119 0.513 20 0 BCADHN Cc1ccccc1OCCNC(CO)CO ZINC000846939799 588297729 /nfs/dbraw/zinc/29/77/29/588297729.db2.gz UXLXSJIUQRNUCS-UHFFFAOYSA-N 0 3 225.288 0.317 20 0 BCADHN CCOC1CC(CN2CCN(OC)CC2)C1 ZINC000846971654 588299287 /nfs/dbraw/zinc/29/92/87/588299287.db2.gz MTNMLBATTRIBNP-UHFFFAOYSA-N 0 3 228.336 0.981 20 0 BCADHN OC[C@@H]1CCCCCN1CC1OCCO1 ZINC000847013741 588301408 /nfs/dbraw/zinc/30/14/08/588301408.db2.gz GYVRDKSELDTLGY-JTQLQIEISA-N 0 3 215.293 0.596 20 0 BCADHN O=C(CCN1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000847044888 588304666 /nfs/dbraw/zinc/30/46/66/588304666.db2.gz PCMLVQVAHMCRKP-NWDGAFQWSA-N 0 3 238.331 0.106 20 0 BCADHN CC[C@@H](NCCS(C)(=O)=O)[C@@H]1CCCCO1 ZINC000847090149 588306175 /nfs/dbraw/zinc/30/61/75/588306175.db2.gz OKRDBCJGBPCJOL-MNOVXSKESA-N 0 3 249.376 0.968 20 0 BCADHN CN(C)CC1(NC(=O)Cc2ncc[nH]2)CCC1 ZINC000847116022 588306780 /nfs/dbraw/zinc/30/67/80/588306780.db2.gz URQVUICSUHBJIE-UHFFFAOYSA-N 0 3 236.319 0.553 20 0 BCADHN C[C@@H](O)CN1CCC2(CC1)OCCO2 ZINC000107143867 588331348 /nfs/dbraw/zinc/33/13/48/588331348.db2.gz AWUDPCXNROTUGP-SECBINFHSA-N 0 3 201.266 0.206 20 0 BCADHN C[NH+](C)C[C@@H]1CCN(CCC(=O)[O-])C1 ZINC000107190102 588336546 /nfs/dbraw/zinc/33/65/46/588336546.db2.gz OKRDLWBZTRZOJX-VIFPVBQESA-N 0 3 200.282 0.345 20 0 BCADHN C[NH+](C)C[C@H]1CCN(CCC(=O)[O-])C1 ZINC000107190104 588336791 /nfs/dbraw/zinc/33/67/91/588336791.db2.gz OKRDLWBZTRZOJX-SECBINFHSA-N 0 3 200.282 0.345 20 0 BCADHN COCOCCCNC(=O)CN1CC[C@@H](C)C1 ZINC000848166555 588363708 /nfs/dbraw/zinc/36/37/08/588363708.db2.gz SAVGWNDQOZMVIE-LLVKDONJSA-N 0 3 244.335 0.455 20 0 BCADHN C/C=C(\CC)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306011 588371513 /nfs/dbraw/zinc/37/15/13/588371513.db2.gz LJAFXGZIXSLOBR-WHKYXBHASA-N 0 3 238.331 0.620 20 0 BCADHN C/C=C(/C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306560 588371531 /nfs/dbraw/zinc/37/15/31/588371531.db2.gz SQIWSPCTFOICOK-CHFYJCTLSA-N 0 3 224.304 0.230 20 0 BCADHN CN[C@@H](C)C(=O)N(C)Cc1ncc(Cl)n1C ZINC000848427452 588383632 /nfs/dbraw/zinc/38/36/32/588383632.db2.gz XGSOEDNKGOQOMB-ZETCQYMHSA-N 0 3 244.726 0.640 20 0 BCADHN Cc1cnc(CCNC(=O)[C@@H]2C[C@@H]2N)c(C)c1 ZINC000848432205 588384031 /nfs/dbraw/zinc/38/40/31/588384031.db2.gz VHQRTMUNELQVEF-MNOVXSKESA-N 0 3 233.315 0.704 20 0 BCADHN CC(C)(C)C(=O)C(=O)N[C@@H](CN)C(F)(F)F ZINC000848437626 588384983 /nfs/dbraw/zinc/38/49/83/588384983.db2.gz CESJRXFXGMTXNM-YFKPBYRVSA-N 0 3 240.225 0.607 20 0 BCADHN CNC(=O)CCNCc1cnc(Cl)n1C ZINC000848531897 588393642 /nfs/dbraw/zinc/39/36/42/588393642.db2.gz VZKYLNBJWINJFQ-UHFFFAOYSA-N 0 3 230.699 0.299 20 0 BCADHN COC[C@](C)(O)CNCc1cnc(Cl)n1C ZINC000848535296 588393998 /nfs/dbraw/zinc/39/39/98/588393998.db2.gz FOULFEKCIYNOET-SNVBAGLBSA-N 0 3 247.726 0.561 20 0 BCADHN CCOC[C@H](C)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848573252 588398778 /nfs/dbraw/zinc/39/87/78/588398778.db2.gz YTTTVCGGMUYXAJ-GXSJLCMTSA-N 0 3 242.319 0.984 20 0 BCADHN C[C@@H]1OCC[C@@H]1NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848572818 588398897 /nfs/dbraw/zinc/39/88/97/588398897.db2.gz WCEIKIQMCLYEFM-GDPRMGEGSA-N 0 3 240.303 0.737 20 0 BCADHN NC[C@H](NC(=O)NN1CCCC1)C(F)(F)F ZINC000848598727 588401323 /nfs/dbraw/zinc/40/13/23/588401323.db2.gz QIWKHXSSLVMHJS-LURJTMIESA-N 0 3 240.229 0.186 20 0 BCADHN CCN(C)C[C@@H](O)CSc1cccc[n+]1[O-] ZINC000848675313 588405173 /nfs/dbraw/zinc/40/51/73/588405173.db2.gz WUPXKZUQVUUQER-SNVBAGLBSA-N 0 3 242.344 0.725 20 0 BCADHN CCOC(=O)[C@@H](C)n1cc([C@@H](C)N)nn1 ZINC000849144217 588455247 /nfs/dbraw/zinc/45/52/47/588455247.db2.gz VTMZNBMSCWTENJ-RNFRBKRXSA-N 0 3 212.253 0.422 20 0 BCADHN COC(=O)c1cncc(-n2cc([C@@H](C)N)nn2)c1 ZINC000849150141 588456153 /nfs/dbraw/zinc/45/61/53/588456153.db2.gz OTUNLBREOKZOMR-SSDOTTSWSA-N 0 3 247.258 0.469 20 0 BCADHN CCN(CC)CCOC(=O)C1=NNC(=O)CC1 ZINC000849168485 588458862 /nfs/dbraw/zinc/45/88/62/588458862.db2.gz YOKIZXSVRIEDAS-UHFFFAOYSA-N 0 3 241.291 0.137 20 0 BCADHN CO[C@H](C)CC(=O)NC[C@H]1CCCN(C)C1 ZINC000108341669 588460844 /nfs/dbraw/zinc/46/08/44/588460844.db2.gz LJTKZRMUWCEELM-GHMZBOCLSA-N 0 3 228.336 0.869 20 0 BCADHN CN1CCC[C@@H](CNC(=O)c2cnsn2)C1 ZINC000108339588 588460906 /nfs/dbraw/zinc/46/09/06/588460906.db2.gz FVKKWJPKVJXSCV-QMMMGPOBSA-N 0 3 240.332 0.610 20 0 BCADHN CN1CCC[C@@H](CNC(=O)C2=COCCO2)C1 ZINC000108344231 588461225 /nfs/dbraw/zinc/46/12/25/588461225.db2.gz GMQILZHVMGLMDR-JTQLQIEISA-N 0 3 240.303 0.333 20 0 BCADHN S=C(NCCN1CCCC1)NCC1CC1 ZINC000849252916 588465103 /nfs/dbraw/zinc/46/51/03/588465103.db2.gz NSTIINHRDNDTNW-UHFFFAOYSA-N 0 3 227.377 0.956 20 0 BCADHN CN(CCN1C(=O)N2CC3CC2(C3)C1=O)C1CC1 ZINC000849353919 588474874 /nfs/dbraw/zinc/47/48/74/588474874.db2.gz JWANTYCFVAXWFT-UHFFFAOYSA-N 0 3 249.314 0.507 20 0 BCADHN CC(C)[C@H](O)COC(=O)C1CCCN(C)C1=O ZINC000849791007 588499314 /nfs/dbraw/zinc/49/93/14/588499314.db2.gz CWMSHNGWTPYCOB-VHSXEESVSA-N 0 3 243.303 0.415 20 0 BCADHN Cn1ncc(C2CC2)c1CNCCn1cncn1 ZINC000850088606 588519123 /nfs/dbraw/zinc/51/91/23/588519123.db2.gz ORWCYXMSAYGDHB-UHFFFAOYSA-N 0 3 246.318 0.679 20 0 BCADHN Cc1ncc(CN[C@@H](CCO)C2CC2)n1C ZINC000850157855 588522084 /nfs/dbraw/zinc/52/20/84/588522084.db2.gz MVSRCDRJNSLVAX-LBPRGKRZSA-N 0 3 223.320 0.979 20 0 BCADHN CCN(CC)CCOC(=O)[C@@H](COC)OC ZINC000850202554 588528044 /nfs/dbraw/zinc/52/80/44/588528044.db2.gz ZUEYMHQHZQVBRB-SNVBAGLBSA-N 0 3 233.308 0.533 20 0 BCADHN Cc1c[nH]c(CNCCCc2cnn(C)n2)n1 ZINC000850312043 588535862 /nfs/dbraw/zinc/53/58/62/588535862.db2.gz XHZWPPUJCZMTSB-UHFFFAOYSA-N 0 3 234.307 0.569 20 0 BCADHN CCC[C@@H](O)[C@@H](CO)NCc1cn[nH]c1 ZINC000850325047 588536977 /nfs/dbraw/zinc/53/69/77/588536977.db2.gz RSERICOGAVQVOE-NXEZZACHSA-N 0 3 213.281 0.021 20 0 BCADHN O[C@@H]1CC[C@H]1NCc1ccnn1CC1CC1 ZINC000850332445 588537255 /nfs/dbraw/zinc/53/72/55/588537255.db2.gz HRLJYTXPUJFKLQ-VXGBXAGGSA-N 0 3 221.304 0.906 20 0 BCADHN CS(=O)(=O)CCNC1CC(CF)(CF)C1 ZINC000850429583 588546204 /nfs/dbraw/zinc/54/62/04/588546204.db2.gz DQTJLVGSFXDPNI-UHFFFAOYSA-N 0 3 241.303 0.708 20 0 BCADHN CC[S@](=O)CCN[C@H](C)Cn1cncn1 ZINC000850434785 588546256 /nfs/dbraw/zinc/54/62/56/588546256.db2.gz XQVUIHDHBKFNLM-PSLIRLAXSA-N 0 3 230.337 0.025 20 0 BCADHN C[S@@](=O)CCN[C@H]1CCCn2nccc21 ZINC000850435410 588546275 /nfs/dbraw/zinc/54/62/75/588546275.db2.gz NOYXHQIFJRIONB-BJOHPYRUSA-N 0 3 227.333 0.686 20 0 BCADHN COC1([C@H](C)NCc2cnnn2C)CCC1 ZINC000850468959 588548797 /nfs/dbraw/zinc/54/87/97/588548797.db2.gz NJSXIQGMRBVYSQ-VIFPVBQESA-N 0 3 224.308 0.862 20 0 BCADHN COC1([C@@H](C)NCc2cnnn2C)CCC1 ZINC000850468958 588548933 /nfs/dbraw/zinc/54/89/33/588548933.db2.gz NJSXIQGMRBVYSQ-SECBINFHSA-N 0 3 224.308 0.862 20 0 BCADHN O[C@@H]1CC[C@H]1N[C@@H]1CCCn2nccc21 ZINC000850474103 588549053 /nfs/dbraw/zinc/54/90/53/588549053.db2.gz ISWVHEXVKIHHDJ-FXPVBKGRSA-N 0 3 207.277 0.831 20 0 BCADHN COCc1nnc(C[NH2+][C@H]2CC[C@H]2C)[n-]1 ZINC000850514855 588555993 /nfs/dbraw/zinc/55/59/93/588555993.db2.gz QQYQBRDKKMSGRT-SFYZADRCSA-N 0 3 210.281 0.839 20 0 BCADHN CCNCC(=O)Nc1ccc2c(c1)CCNC2=O ZINC000851640470 588612399 /nfs/dbraw/zinc/61/23/99/588612399.db2.gz VTUTWMDKWJOKTQ-UHFFFAOYSA-N 0 3 247.298 0.521 20 0 BCADHN NC(=O)c1ccc(F)cc1NC(=O)[C@H]1CCN1 ZINC000851641192 588612522 /nfs/dbraw/zinc/61/25/22/588612522.db2.gz HKKCLXYDUPCKKZ-MRVPVSSYSA-N 0 3 237.234 0.225 20 0 BCADHN C[C@@]1(CNC(=O)[C@@H]2C[C@@H]2N)CC1(F)F ZINC000851643691 588612744 /nfs/dbraw/zinc/61/27/44/588612744.db2.gz BXJNEYNMPPCKCR-CHKWXVPMSA-N 0 3 204.220 0.495 20 0 BCADHN N[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1F ZINC000851648102 588613123 /nfs/dbraw/zinc/61/31/23/588613123.db2.gz ZPIBMTCDAQWHPB-RNFRBKRXSA-N 0 3 236.237 0.929 20 0 BCADHN N[C@@H]1CN(C(=O)/C=C\c2cccnc2)CC[C@H]1F ZINC000851648679 588613301 /nfs/dbraw/zinc/61/33/01/588613301.db2.gz NPKBOUVTSRVKEW-OPVGQWETSA-N 0 3 249.289 0.993 20 0 BCADHN OC[C@@H]1CCCN(C[C@H](O)c2ccccn2)C1 ZINC000851720695 588617074 /nfs/dbraw/zinc/61/70/74/588617074.db2.gz QIKUJGDDINRMKE-YPMHNXCESA-N 0 3 236.315 0.819 20 0 BCADHN CN1CCCN(C[C@@H]2COC(C)(C)O2)CC1 ZINC000851720916 588617086 /nfs/dbraw/zinc/61/70/86/588617086.db2.gz VXCAEEINNSWEHN-LLVKDONJSA-N 0 3 228.336 0.775 20 0 BCADHN OC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1 ZINC000851720692 588617268 /nfs/dbraw/zinc/61/72/68/588617268.db2.gz QIKUJGDDINRMKE-AAEUAGOBSA-N 0 3 236.315 0.819 20 0 BCADHN CCCN(CCO)C[C@H]1CCC(=O)O1 ZINC000851728496 588618407 /nfs/dbraw/zinc/61/84/07/588618407.db2.gz BPHSLZUAJFVPOL-SECBINFHSA-N 0 3 201.266 0.396 20 0 BCADHN COC(=O)[C@@H](C)CN(C)C[C@H]1CCC(=O)O1 ZINC000851728243 588618596 /nfs/dbraw/zinc/61/85/96/588618596.db2.gz JPZYOTXFNIEEKD-DTWKUNHWSA-N 0 3 229.276 0.433 20 0 BCADHN O=C1CC[C@H](CN2CCCC[C@H]2CO)O1 ZINC000851729360 588618979 /nfs/dbraw/zinc/61/89/79/588618979.db2.gz LXSXDTZNWFVLQT-VHSXEESVSA-N 0 3 213.277 0.539 20 0 BCADHN COC(=O)[C@@H]1CCN(C[C@@H]2COC(C)(C)O2)C1 ZINC000851731096 588619291 /nfs/dbraw/zinc/61/92/91/588619291.db2.gz WRVGZZKZVZWQIF-NXEZZACHSA-N 0 3 243.303 0.633 20 0 BCADHN CCNC(=O)CN(C)[C@@H]1CC[C@H](OC)C1 ZINC000851731572 588619502 /nfs/dbraw/zinc/61/95/02/588619502.db2.gz UORZXZXFYRBYAM-ZJUUUORDSA-N 0 3 214.309 0.622 20 0 BCADHN CCN(CC(=O)NC)[C@H]1CC[C@@H](OC)C1 ZINC000851732984 588619715 /nfs/dbraw/zinc/61/97/15/588619715.db2.gz GHMDYKUKYHPIJG-VHSXEESVSA-N 0 3 214.309 0.622 20 0 BCADHN OC[C@H]1CCCN1C[C@@H](O)c1ccccn1 ZINC000851736604 588620317 /nfs/dbraw/zinc/62/03/17/588620317.db2.gz MXHVTECYZFWXIJ-ZYHUDNBSSA-N 0 3 222.288 0.572 20 0 BCADHN COCCN(CCO)CCOC(F)F ZINC000851748099 588622490 /nfs/dbraw/zinc/62/24/90/588622490.db2.gz MVJXMPFNYIRRHZ-UHFFFAOYSA-N 0 3 213.224 0.166 20 0 BCADHN COC(=O)[C@H]1CCCN(C[C@H]2CCC(=O)O2)C1 ZINC000851747320 588622523 /nfs/dbraw/zinc/62/25/23/588622523.db2.gz FOXVPUIBBOWVSF-VHSXEESVSA-N 0 3 241.287 0.577 20 0 BCADHN CCN(CCO)C[C@@H]1COC(C)(C)O1 ZINC000851751432 588623153 /nfs/dbraw/zinc/62/31/53/588623153.db2.gz MXBAPRCCTCBNNU-SECBINFHSA-N 0 3 203.282 0.452 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CCN(C[C@H](C)O)CC2)C1 ZINC000851750899 588623363 /nfs/dbraw/zinc/62/33/63/588623363.db2.gz LAZAZBLDBGKNNM-YNEHKIRRSA-N 0 3 242.363 0.552 20 0 BCADHN O[C@@H](CN1CC[C@H](O)C1)c1ccccn1 ZINC000851752038 588623657 /nfs/dbraw/zinc/62/36/57/588623657.db2.gz XFGJGCQXEDWTOD-ONGXEEELSA-N 0 3 208.261 0.182 20 0 BCADHN CN(C[C@@H]1COC(C)(C)O1)[C@@H]1CCOC1 ZINC000851761969 588624437 /nfs/dbraw/zinc/62/44/37/588624437.db2.gz GGAHXFHXSWDUNV-NXEZZACHSA-N 0 3 215.293 0.859 20 0 BCADHN CN(C[C@H]1COC(C)(C)O1)[C@@H]1CCOC1 ZINC000851761972 588624748 /nfs/dbraw/zinc/62/47/48/588624748.db2.gz GGAHXFHXSWDUNV-ZJUUUORDSA-N 0 3 215.293 0.859 20 0 BCADHN O=C1CC[C@H](CN(CCCO)C2CC2)O1 ZINC000851776269 588625012 /nfs/dbraw/zinc/62/50/12/588625012.db2.gz LZOFGOVWBFBVRM-SNVBAGLBSA-N 0 3 213.277 0.539 20 0 BCADHN CNC(=O)[C@H]1CCCN(CCOC(F)F)C1 ZINC000851770095 588625551 /nfs/dbraw/zinc/62/55/51/588625551.db2.gz OFFIOOWYSMMETN-QMMMGPOBSA-N 0 3 236.262 0.684 20 0 BCADHN CN(C[C@H](O)c1ccccn1)CC(C)(C)O ZINC000851774259 588626438 /nfs/dbraw/zinc/62/64/38/588626438.db2.gz HUZSROSCZYCZDS-NSHDSACASA-N 0 3 224.304 0.818 20 0 BCADHN CN(C[C@H]1COC(C)(C)O1)CC(C)(C)O ZINC000851775757 588626489 /nfs/dbraw/zinc/62/64/89/588626489.db2.gz YZJISHMXGBKVGW-VIFPVBQESA-N 0 3 217.309 0.841 20 0 BCADHN C[C@H](O)CN(C)C[C@@H]1COC(C)(C)O1 ZINC000851782977 588627710 /nfs/dbraw/zinc/62/77/10/588627710.db2.gz GBTZGRACYDFQFI-DTWKUNHWSA-N 0 3 203.282 0.451 20 0 BCADHN CCN(CCCO)C[C@H](O)c1ccccn1 ZINC000851791902 588629243 /nfs/dbraw/zinc/62/92/43/588629243.db2.gz ICZVVMLBGQGFMA-LBPRGKRZSA-N 0 3 224.304 0.819 20 0 BCADHN NC(=O)C[C@@H]1CCCN(CCOC(F)F)C1 ZINC000851798755 588630304 /nfs/dbraw/zinc/63/03/04/588630304.db2.gz NHYOGWDALZWOSW-QMMMGPOBSA-N 0 3 236.262 0.813 20 0 BCADHN COC[C@](C)(CCO)NC[C@@H]1CCC(=O)O1 ZINC000851806830 588631240 /nfs/dbraw/zinc/63/12/40/588631240.db2.gz AIMCHDPOPZUNPM-ONGXEEELSA-N 0 3 231.292 0.069 20 0 BCADHN CN(C[C@H](O)C1CC1)C[C@H]1CCC(=O)O1 ZINC000851803082 588631254 /nfs/dbraw/zinc/63/12/54/588631254.db2.gz OJELSHFGWJFSKQ-ZJUUUORDSA-N 0 3 213.277 0.395 20 0 BCADHN CN(C[C@H](O)C1CC1)C[C@@H]1CCC(=O)O1 ZINC000851803079 588631323 /nfs/dbraw/zinc/63/13/23/588631323.db2.gz OJELSHFGWJFSKQ-UWVGGRQHSA-N 0 3 213.277 0.395 20 0 BCADHN O=C1CC[C@H](CN2CCSC[C@@H]2CCO)O1 ZINC000851810134 588632237 /nfs/dbraw/zinc/63/22/37/588632237.db2.gz XJWNILYHCPCUGS-VHSXEESVSA-N 0 3 245.344 0.492 20 0 BCADHN CC1(C)OC[C@H](CN2CCC(C)(O)CC2)O1 ZINC000851809478 588632243 /nfs/dbraw/zinc/63/22/43/588632243.db2.gz QWSNTETUQOSQBL-JTQLQIEISA-N 0 3 229.320 0.985 20 0 BCADHN CNC(=O)C1(NC[C@H]2CCC(=O)O2)CCCC1 ZINC000851844143 588634817 /nfs/dbraw/zinc/63/48/17/588634817.db2.gz PTPAARMNMSZJNI-SECBINFHSA-N 0 3 240.303 0.340 20 0 BCADHN C[C@@H]1COCCN(C[C@@H]2CCC(=O)O2)C1 ZINC000851866209 588636616 /nfs/dbraw/zinc/63/66/16/588636616.db2.gz LHOHNFGNXRESRY-UWVGGRQHSA-N 0 3 213.277 0.660 20 0 BCADHN COC[C@H](CN1CCC(OC(C)=O)CC1)OC ZINC000851866108 588636729 /nfs/dbraw/zinc/63/67/29/588636729.db2.gz ICVRZXBZPNINNY-LBPRGKRZSA-N 0 3 245.319 0.675 20 0 BCADHN CO[C@H](CN1CCN(C)[C@H](C)C1)[C@H]1CCOC1 ZINC000851877670 588638554 /nfs/dbraw/zinc/63/85/54/588638554.db2.gz OGLAYEGFIJMUMV-FRRDWIJNSA-N 0 3 242.363 0.674 20 0 BCADHN CC[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@H]1O ZINC000851878660 588639119 /nfs/dbraw/zinc/63/91/19/588639119.db2.gz FCPMAECPFGUSJO-OPRDCNLKSA-N 0 3 213.277 0.395 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCN3C(=O)CC[C@@H]3C2)C1 ZINC000851883745 588639441 /nfs/dbraw/zinc/63/94/41/588639441.db2.gz JAHRWAGMQDPBIQ-QJPTWQEYSA-N 0 3 238.331 0.861 20 0 BCADHN CNC(=O)[C@@H](NC[C@@H]1COC(C)(C)O1)C(C)C ZINC000851903379 588641999 /nfs/dbraw/zinc/64/19/99/588641999.db2.gz UCZCFYOJMNOTCD-ZJUUUORDSA-N 0 3 244.335 0.498 20 0 BCADHN COC[C@H](CN1CCOCC[C@H]1C)OC ZINC000851907674 588642430 /nfs/dbraw/zinc/64/24/30/588642430.db2.gz VFPXXDAAIQOETI-MNOVXSKESA-N 0 3 217.309 0.759 20 0 BCADHN C[C@@H]1CCOCCN1CCc1cn[nH]n1 ZINC000851908172 588642478 /nfs/dbraw/zinc/64/24/78/588642478.db2.gz ZJRFHXKKTVLNFE-SECBINFHSA-N 0 3 210.281 0.458 20 0 BCADHN C[C@@H](O)[C@H]1CCN(CCOC(F)F)C1 ZINC000851911903 588642711 /nfs/dbraw/zinc/64/27/11/588642711.db2.gz HAATVHYPBIFDLI-SFYZADRCSA-N 0 3 209.236 0.928 20 0 BCADHN CC1(C)OC[C@H](CCNC2(C(N)=O)CC2)O1 ZINC000851911600 588642978 /nfs/dbraw/zinc/64/29/78/588642978.db2.gz YGMOAMODAFECPG-QMMMGPOBSA-N 0 3 228.292 0.136 20 0 BCADHN COC(CCN(C)[C@@]1(CO)CCOC1)OC ZINC000851917502 588643291 /nfs/dbraw/zinc/64/32/91/588643291.db2.gz GEADGVXKEARNDD-LLVKDONJSA-N 0 3 233.308 0.079 20 0 BCADHN CN(C[C@H]1COC(C)(C)O1)[C@@]1(CO)CCOC1 ZINC000851917542 588643335 /nfs/dbraw/zinc/64/33/35/588643335.db2.gz HAFXPPJQGRPCSM-CMPLNLGQSA-N 0 3 245.319 0.221 20 0 BCADHN C[C@H](O)[C@@H]1CCN(C[C@@H](O)c2ccccn2)C1 ZINC000851912894 588643391 /nfs/dbraw/zinc/64/33/91/588643391.db2.gz PFUKVQDLZHQHCS-DMDPSCGWSA-N 0 3 236.315 0.818 20 0 BCADHN CCCN1CC[C@H](NC(=O)NOCC)C1 ZINC000851920489 588644077 /nfs/dbraw/zinc/64/40/77/588644077.db2.gz PIZQZQNKHFGWFN-VIFPVBQESA-N 0 3 215.297 0.721 20 0 BCADHN C[C@@H](NC[C@@H]1CCC(=O)O1)c1cn[nH]c1 ZINC000851934408 588645478 /nfs/dbraw/zinc/64/54/78/588645478.db2.gz AZXCQNIJMQUNAO-APPZFPTMSA-N 0 3 209.249 0.766 20 0 BCADHN CO[C@@H]1CC[C@H](N2CCN3CCOC[C@@H]3C2)C1 ZINC000851934807 588645801 /nfs/dbraw/zinc/64/58/01/588645801.db2.gz GUZQOAQJCMLURE-RWMBFGLXSA-N 0 3 240.347 0.570 20 0 BCADHN CN(C[C@@H]1CCC(=O)O1)CC1(O)CCC1 ZINC000851936284 588645924 /nfs/dbraw/zinc/64/59/24/588645924.db2.gz KPHVIEAAXOSIRQ-VIFPVBQESA-N 0 3 213.277 0.539 20 0 BCADHN CN(C[C@@H](O)c1ccccn1)CC1(O)CCC1 ZINC000851935955 588646061 /nfs/dbraw/zinc/64/60/61/588646061.db2.gz ZFSDYPFOXUNSMY-GFCCVEGCSA-N 0 3 236.315 0.962 20 0 BCADHN COC(=O)CCCN1CCC2(CC1)OCCO2 ZINC000110317073 588646179 /nfs/dbraw/zinc/64/61/79/588646179.db2.gz KQMDZWWXRWSTRC-UHFFFAOYSA-N 0 3 243.303 0.779 20 0 BCADHN COCC1=CCN(C[C@H]2CCC(=O)O2)CC1 ZINC000851949139 588646904 /nfs/dbraw/zinc/64/69/04/588646904.db2.gz AOVRZEQENFOIBU-LLVKDONJSA-N 0 3 225.288 0.971 20 0 BCADHN C[C@@H]1CN(C[C@H]2COC(C)(C)O2)CC[C@H]1O ZINC000851957055 588647699 /nfs/dbraw/zinc/64/76/99/588647699.db2.gz LBCWCUZVBVWSFP-OUAUKWLOSA-N 0 3 229.320 0.841 20 0 BCADHN CC[C@]1(O)CCN(C[C@H](O)c2ccccn2)C1 ZINC000851958228 588648213 /nfs/dbraw/zinc/64/82/13/588648213.db2.gz ZXZQUOZBOUBEBM-STQMWFEESA-N 0 3 236.315 0.962 20 0 BCADHN CC[C@@]1(O)CCN(C[C@H](O)c2ccccn2)C1 ZINC000851958227 588648319 /nfs/dbraw/zinc/64/83/19/588648319.db2.gz ZXZQUOZBOUBEBM-QWHCGFSZSA-N 0 3 236.315 0.962 20 0 BCADHN C[C@H](CO)N(C[C@H](C)O)C[C@H]1COC(C)(C)O1 ZINC000851972850 588649996 /nfs/dbraw/zinc/64/99/96/588649996.db2.gz SOMAJKDQKFIKLV-VWYCJHECSA-N 0 3 247.335 0.202 20 0 BCADHN CO[C@@H]1CC[C@@H](N2CCc3n[nH]nc3C2)C1 ZINC000851973670 588650204 /nfs/dbraw/zinc/65/02/04/588650204.db2.gz HJQFJIHEVZSQTN-RKDXNWHRSA-N 0 3 222.292 0.730 20 0 BCADHN CCN(CC[C@H]1COC(C)(C)O1)CC(N)=O ZINC000851977525 588650454 /nfs/dbraw/zinc/65/04/54/588650454.db2.gz CEQFHJGPGUZBQM-VIFPVBQESA-N 0 3 230.308 0.335 20 0 BCADHN C[C@@H]1C[C@H](C)N1C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851997413 588653308 /nfs/dbraw/zinc/65/33/08/588653308.db2.gz JVTHLEAHMVNDGI-WDMOLILDSA-N 0 3 248.326 0.842 20 0 BCADHN CC1(C)CN(C[C@H]2CCC(=O)O2)C[C@@H]1O ZINC000851998346 588653897 /nfs/dbraw/zinc/65/38/97/588653897.db2.gz SVFYDXWGTGQXMB-BDAKNGLRSA-N 0 3 213.277 0.395 20 0 BCADHN C[C@@H]1OCC[C@@H]1N(CCO)C[C@@H]1CCC(=O)O1 ZINC000852002944 588654100 /nfs/dbraw/zinc/65/41/00/588654100.db2.gz GGEKZFNZWVAGQD-DCAQKATOSA-N 0 3 243.303 0.164 20 0 BCADHN C[C@@]1(C(N)=O)CCN(Cc2cccc(F)n2)C1 ZINC000852003333 588654445 /nfs/dbraw/zinc/65/44/45/588654445.db2.gz JCBFZODVFPJXRI-GFCCVEGCSA-N 0 3 237.278 0.918 20 0 BCADHN CN(CCOCCO)C[C@H]1COC(C)(C)O1 ZINC000852014787 588655340 /nfs/dbraw/zinc/65/53/40/588655340.db2.gz VIINLQRJXWZPLR-JTQLQIEISA-N 0 3 233.308 0.079 20 0 BCADHN CN(CCCO)C[C@H]1COC(C)(C)O1 ZINC000852014014 588655527 /nfs/dbraw/zinc/65/55/27/588655527.db2.gz YIGMMNMPKLENDQ-VIFPVBQESA-N 0 3 203.282 0.452 20 0 BCADHN CO[C@H]1CC[C@@H](N2C[C@@H]3COC[C@H](C2)O3)C1 ZINC000852017607 588655775 /nfs/dbraw/zinc/65/57/75/588655775.db2.gz DZGGURZOGKTZOX-KXNHARMFSA-N 0 3 227.304 0.654 20 0 BCADHN C[C@H](CO)N(C)C[C@H](O)c1ccccn1 ZINC000852022420 588656139 /nfs/dbraw/zinc/65/61/39/588656139.db2.gz CUEIEEPBVUMLFB-KOLCDFICSA-N 0 3 210.277 0.428 20 0 BCADHN CC(C)[C@@](C)(NC[C@@H]1CCC(=O)O1)C(N)=O ZINC000852040306 588657111 /nfs/dbraw/zinc/65/71/11/588657111.db2.gz JSAPQOKDVZOWRL-GZMMTYOYSA-N 0 3 228.292 0.182 20 0 BCADHN CC1(C)[C@@H](O)CCN1C[C@@H](O)c1ccccn1 ZINC000852069494 588658988 /nfs/dbraw/zinc/65/89/88/588658988.db2.gz FBUCUICJZQTLMF-NEPJUHHUSA-N 0 3 236.315 0.960 20 0 BCADHN CCN(C[C@H]1CCC(=O)O1)[C@@H]1CCOC1 ZINC000852071183 588659250 /nfs/dbraw/zinc/65/92/50/588659250.db2.gz ZFTXIFJNDXKVAE-NXEZZACHSA-N 0 3 213.277 0.803 20 0 BCADHN CCN(C[C@@H]1COC(C)(C)O1)[C@H](C)CO ZINC000852076660 588659826 /nfs/dbraw/zinc/65/98/26/588659826.db2.gz VFPLXZKOUNYYOC-NXEZZACHSA-N 0 3 217.309 0.841 20 0 BCADHN CN1C[C@H]2[C@@H](CCN2C[C@H](O)c2ccccn2)C1 ZINC000852074942 588659902 /nfs/dbraw/zinc/65/99/02/588659902.db2.gz GJXCTYVHVLADLQ-UBHSHLNASA-N 0 3 247.342 0.751 20 0 BCADHN O[C@@H](CN1CCC[C@H](O)CC1)c1ccccn1 ZINC000852094215 588661161 /nfs/dbraw/zinc/66/11/61/588661161.db2.gz HYQXGEJSSGIJPA-AAEUAGOBSA-N 0 3 236.315 0.962 20 0 BCADHN CC[C@@H]1CN(C)CCN1C[C@H]1CCC(=O)O1 ZINC000852093360 588661616 /nfs/dbraw/zinc/66/16/16/588661616.db2.gz IROBBHVQGSNBLH-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN CN1CC[C@@]2(C1)CCCN(CC[S@@](C)=O)C2 ZINC000852104967 588663569 /nfs/dbraw/zinc/66/35/69/588663569.db2.gz HLJPSCIKVVBHAX-MLGOLLRUSA-N 0 3 244.404 0.783 20 0 BCADHN COC[C@H](CN1CC[C@](O)(C(F)F)C1)OC ZINC000852121524 588665168 /nfs/dbraw/zinc/66/51/68/588665168.db2.gz TXRPUWPWUQRUEW-WCBMZHEXSA-N 0 3 239.262 0.350 20 0 BCADHN CC[C@@H](C)N1CCN(Cc2cnon2)CC1 ZINC000852140476 588666268 /nfs/dbraw/zinc/66/62/68/588666268.db2.gz JAJFIQQZNFXXQU-SNVBAGLBSA-N 0 3 224.308 0.986 20 0 BCADHN CC1(C)COC[C@H]1NC[C@@H]1CCC(=O)O1 ZINC000852141459 588666899 /nfs/dbraw/zinc/66/68/99/588666899.db2.gz QCCXZOHPYDCXIT-DTWKUNHWSA-N 0 3 213.277 0.707 20 0 BCADHN CCO[C@@H]1COC[C@H]1NC[C@H]1COC(C)(C)O1 ZINC000852145744 588667179 /nfs/dbraw/zinc/66/71/79/588667179.db2.gz CTMCQXRZARLNHM-HBNTYKKESA-N 0 3 245.319 0.531 20 0 BCADHN CNC(=O)[C@@H]1CCN(CCOC(F)F)C1 ZINC000852184645 588670485 /nfs/dbraw/zinc/67/04/85/588670485.db2.gz NYBRRMQXRANABQ-SSDOTTSWSA-N 0 3 222.235 0.294 20 0 BCADHN CN1CCC[C@@H](NC(=O)NCc2ncccn2)C1 ZINC000852186531 588670506 /nfs/dbraw/zinc/67/05/06/588670506.db2.gz FEHQLHNXEQKSQH-SNVBAGLBSA-N 0 3 249.318 0.370 20 0 BCADHN O=C1CC[C@H](CN2CCC(C3(O)CC3)CC2)O1 ZINC000852209600 588672332 /nfs/dbraw/zinc/67/23/32/588672332.db2.gz QHBYGNAMNQYIOD-LLVKDONJSA-N 0 3 239.315 0.929 20 0 BCADHN C[C@@H](CCO)N(C)C[C@H]1COC(C)(C)O1 ZINC000852212834 588672837 /nfs/dbraw/zinc/67/28/37/588672837.db2.gz FAKLHWPCDJBHRG-UWVGGRQHSA-N 0 3 217.309 0.841 20 0 BCADHN C[C@H](O)CN(C[C@@H]1COC(C)(C)O1)C1CC1 ZINC000852218755 588673742 /nfs/dbraw/zinc/67/37/42/588673742.db2.gz LGVNBVKGCQVUMS-GXSJLCMTSA-N 0 3 229.320 0.983 20 0 BCADHN C[C@@H](O)CN(C[C@@H]1CCC(=O)O1)C1CC1 ZINC000852218113 588673890 /nfs/dbraw/zinc/67/38/90/588673890.db2.gz FHWDMUQSTLJSAR-SCZZXKLOSA-N 0 3 213.277 0.537 20 0 BCADHN CC[C@@H](O)CN1CCC2=C(CCC(=O)N2)C1 ZINC000852295898 588676741 /nfs/dbraw/zinc/67/67/41/588676741.db2.gz MAUBNFPPABXHEK-SNVBAGLBSA-N 0 3 224.304 0.627 20 0 BCADHN C[C@@H](CO)CN1CCC2=C(CCC(=O)N2)C1 ZINC000852297842 588677152 /nfs/dbraw/zinc/67/71/52/588677152.db2.gz OVCFRSGRAICOCV-SECBINFHSA-N 0 3 224.304 0.485 20 0 BCADHN COCCCN1CCC2=C(CCC(=O)N2)C1 ZINC000852297631 588677277 /nfs/dbraw/zinc/67/72/77/588677277.db2.gz KPGRPUASICHDPJ-UHFFFAOYSA-N 0 3 224.304 0.893 20 0 BCADHN COC(CN1CC[C@H](Cn2ccnn2)C1)OC ZINC000852314755 588677941 /nfs/dbraw/zinc/67/79/41/588677941.db2.gz UZZFXADYNDPQQZ-JTQLQIEISA-N 0 3 240.307 0.219 20 0 BCADHN CON(C)C(=O)CN1CCCC[C@H]1[C@@H](C)CO ZINC000852424498 588681411 /nfs/dbraw/zinc/68/14/11/588681411.db2.gz CYELMYRSZQGQPL-QWRGUYRKSA-N 0 3 244.335 0.489 20 0 BCADHN O=C1OCCN1[C@@H]1CCN(C[C@H](O)C2CC2)C1 ZINC000852439490 588682413 /nfs/dbraw/zinc/68/24/13/588682413.db2.gz DEMFVXYCOQHXQR-MNOVXSKESA-N 0 3 240.303 0.284 20 0 BCADHN COCCN(CCF)C[C@H]1CCNC(=O)CC1 ZINC000852480407 588683637 /nfs/dbraw/zinc/68/36/37/588683637.db2.gz VNYXBOKZHBKEAB-LLVKDONJSA-N 0 3 246.326 0.821 20 0 BCADHN O=C1CC[C@@H]2CN(CCOC(F)F)CC[C@H]2N1 ZINC000852493621 588685370 /nfs/dbraw/zinc/68/53/70/588685370.db2.gz APLDSEMUJKQVQX-RKDXNWHRSA-N 0 3 248.273 0.826 20 0 BCADHN CCC(=O)CCN1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000852495710 588685435 /nfs/dbraw/zinc/68/54/35/588685435.db2.gz MNVAQXUSAIFGDN-ZYHUDNBSSA-N 0 3 238.331 0.956 20 0 BCADHN O=C(CCN1CCC(O)(CO)CC1)C1CC1 ZINC000852499649 588685733 /nfs/dbraw/zinc/68/57/33/588685733.db2.gz VCSKVYPJVGDZRI-UHFFFAOYSA-N 0 3 227.304 0.175 20 0 BCADHN C[S@](=O)CCN1C[C@@H]2COC[C@@]2(C)C1 ZINC000852534926 588686223 /nfs/dbraw/zinc/68/62/23/588686223.db2.gz RTHAVMWYWJBTNP-RULNRJAQSA-N 0 3 217.334 0.333 20 0 BCADHN C[C@H]1CN(CC2OCCO2)C[C@H](C)C1O ZINC000852503914 588686439 /nfs/dbraw/zinc/68/64/39/588686439.db2.gz VGDMRFFDVBZFLY-IUCAKERBSA-N 0 3 215.293 0.308 20 0 BCADHN COC(CN1C[C@H]2COC[C@]2(C)C1)OC ZINC000852533788 588688164 /nfs/dbraw/zinc/68/81/64/588688164.db2.gz CYQXEYPTFHRGEH-ONGXEEELSA-N 0 3 215.293 0.574 20 0 BCADHN O=C1OCCN1CCCN1CC[C@@]2(O)C[C@H]2C1 ZINC000852536738 588689164 /nfs/dbraw/zinc/68/91/64/588689164.db2.gz HNNQTLTXOOFGIQ-CMPLNLGQSA-N 0 3 240.303 0.285 20 0 BCADHN C[C@@H](O)[C@H]1CCCN1CC1OCCO1 ZINC000852559846 588690407 /nfs/dbraw/zinc/69/04/07/588690407.db2.gz VMOHFJSYNFGAAP-RKDXNWHRSA-N 0 3 201.266 0.205 20 0 BCADHN C[S@](=O)CCN[C@H]1C[C@@H](O)C12CCC2 ZINC000852583188 588691904 /nfs/dbraw/zinc/69/19/04/588691904.db2.gz SQHKZOJUAABACG-QIBSRJKCSA-N 0 3 217.334 0.258 20 0 BCADHN COC(CN[C@@H]1C[C@@H](O)C12CCC2)OC ZINC000852583583 588691918 /nfs/dbraw/zinc/69/19/18/588691918.db2.gz YNAVBVNQMXZERT-RKDXNWHRSA-N 0 3 215.293 0.498 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1C[C@H](O)C12CCC2 ZINC000852584831 588692111 /nfs/dbraw/zinc/69/21/11/588692111.db2.gz RXZFSPQAXCEJSM-UWVGGRQHSA-N 0 3 247.360 0.314 20 0 BCADHN O[C@@H]1C[C@H](NCC2OCCO2)C12CCC2 ZINC000852583015 588692133 /nfs/dbraw/zinc/69/21/33/588692133.db2.gz POJRDOHSILFHRI-DTWKUNHWSA-N 0 3 213.277 0.252 20 0 BCADHN C[S@](=O)CCN1CC[C@H]2COC[C@@H]2C1 ZINC000852664094 588694294 /nfs/dbraw/zinc/69/42/94/588694294.db2.gz BWJBCRAKVSLUGN-BHDSKKPTSA-N 0 3 217.334 0.333 20 0 BCADHN CC1(C)OC[C@H](CN2CCC3(COC3)C2)O1 ZINC000852683921 588695621 /nfs/dbraw/zinc/69/56/21/588695621.db2.gz VURQSJHMNILUJQ-JTQLQIEISA-N 0 3 227.304 0.860 20 0 BCADHN c1c[nH]c([C@H]2CCCN2C[C@H]2CNCCO2)n1 ZINC000852750385 588699906 /nfs/dbraw/zinc/69/99/06/588699906.db2.gz STVGZYNMZVOPPE-GHMZBOCLSA-N 0 3 236.319 0.535 20 0 BCADHN N[C@@H]1CN(CCCCCCO)CC[C@H]1F ZINC000852760541 588700639 /nfs/dbraw/zinc/70/06/39/588700639.db2.gz HXXIGWNYHZCKFX-GHMZBOCLSA-N 0 3 218.316 0.910 20 0 BCADHN COC(=O)NC1CCN(C[C@H](C)OC)CC1 ZINC000852765855 588700891 /nfs/dbraw/zinc/70/08/91/588700891.db2.gz WTOHKMAMVMWCRD-VIFPVBQESA-N 0 3 230.308 0.842 20 0 BCADHN COC[C@H](C)N1CCC(NC(=O)OC)CC1 ZINC000852768944 588701174 /nfs/dbraw/zinc/70/11/74/588701174.db2.gz LEYMODUNXDYBTP-VIFPVBQESA-N 0 3 230.308 0.842 20 0 BCADHN COCC1(NCCS(C)(=O)=O)CCCCC1 ZINC000852772234 588701655 /nfs/dbraw/zinc/70/16/55/588701655.db2.gz ZHYNNUOVOCLXTN-UHFFFAOYSA-N 0 3 249.376 0.970 20 0 BCADHN CC(C)NC(=O)[C@@H]1NCC12CCOCC2 ZINC000852772983 588701717 /nfs/dbraw/zinc/70/17/17/588701717.db2.gz SCDPZPTWHNJNES-VIFPVBQESA-N 0 3 212.293 0.280 20 0 BCADHN CC(C)CCNC(=O)[C@@H]1NCC12CCOCC2 ZINC000852774259 588701926 /nfs/dbraw/zinc/70/19/26/588701926.db2.gz RIULWPWSROZTOI-NSHDSACASA-N 0 3 240.347 0.917 20 0 BCADHN CSC(C)(C)C(=O)N1CCCNCC1 ZINC000852789525 588702584 /nfs/dbraw/zinc/70/25/84/588702584.db2.gz ARKAEWCLTJMNJD-UHFFFAOYSA-N 0 3 216.350 0.950 20 0 BCADHN CCC/C=C/C(=O)N1CCN(C)C[C@@H]1CN ZINC000852797849 588703617 /nfs/dbraw/zinc/70/36/17/588703617.db2.gz CEZUZXLPBLOOFJ-QRGHLMKCSA-N 0 3 225.336 0.444 20 0 BCADHN C[C@@H](NN1CCNCC1(C)C)c1ncnn1C ZINC000852797817 588703703 /nfs/dbraw/zinc/70/37/03/588703703.db2.gz BBEGYVUGTUTXAW-SECBINFHSA-N 0 3 238.339 0.065 20 0 BCADHN NC[C@@H]1CC(C(=O)NCC2CCCCC2)=NO1 ZINC000852799833 588704113 /nfs/dbraw/zinc/70/41/13/588704113.db2.gz IKWBKSMRLBGVDE-JTQLQIEISA-N 0 3 239.319 0.787 20 0 BCADHN C[C@@H](NC(=O)C1=NO[C@H](CN)C1)c1ccccc1 ZINC000852799859 588704140 /nfs/dbraw/zinc/70/41/40/588704140.db2.gz JMTQCNVANWSWEZ-KOLCDFICSA-N 0 3 247.298 0.967 20 0 BCADHN CC(C)OCCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852801158 588704231 /nfs/dbraw/zinc/70/42/31/588704231.db2.gz IILGRSNLIBKELB-VIFPVBQESA-N 0 3 243.307 0.021 20 0 BCADHN COc1cccc(NC(=O)C2=NO[C@H](CN)C2)c1 ZINC000852801392 588704282 /nfs/dbraw/zinc/70/42/82/588704282.db2.gz ZAZUZQMVAUMPJI-JTQLQIEISA-N 0 3 249.270 0.737 20 0 BCADHN C[C@H]1CCCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852801402 588704565 /nfs/dbraw/zinc/70/45/65/588704565.db2.gz ZLSHEOZEOTWKRE-IUCAKERBSA-N 0 3 225.292 0.349 20 0 BCADHN CCCCN(CC)C(=O)C1=NO[C@H](CN)C1 ZINC000852801357 588704696 /nfs/dbraw/zinc/70/46/96/588704696.db2.gz KJDUAQXPSBVZOU-VIFPVBQESA-N 0 3 227.308 0.739 20 0 BCADHN CC(C)(C)CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852810931 588704831 /nfs/dbraw/zinc/70/48/31/588704831.db2.gz YYVAEICOFUOHOP-SSDOTTSWSA-N 0 3 213.281 0.252 20 0 BCADHN CCC(CC)CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852808481 588704874 /nfs/dbraw/zinc/70/48/74/588704874.db2.gz YVRJQXVPXVAEIQ-SECBINFHSA-N 0 3 227.308 0.642 20 0 BCADHN NC[C@@H]1CC(C(=O)NCC2CCCC2)=NO1 ZINC000852811084 588705256 /nfs/dbraw/zinc/70/52/56/588705256.db2.gz KIWLNFGNKNIVNV-VIFPVBQESA-N 0 3 225.292 0.396 20 0 BCADHN C[C@@H](C1CC1)N(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852814257 588705258 /nfs/dbraw/zinc/70/52/58/588705258.db2.gz SQPMJOOZZJKHPD-IONNQARKSA-N 0 3 225.292 0.347 20 0 BCADHN CC(C)CCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852811647 588705278 /nfs/dbraw/zinc/70/52/78/588705278.db2.gz QOSYBLVBMFBPRF-VIFPVBQESA-N 0 3 227.308 0.642 20 0 BCADHN NC[C@H]1CC(C(=O)NCC2CCCC2)=NO1 ZINC000852811082 588705316 /nfs/dbraw/zinc/70/53/16/588705316.db2.gz KIWLNFGNKNIVNV-SECBINFHSA-N 0 3 225.292 0.396 20 0 BCADHN CC[C@H](C)[C@H](C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852819814 588705763 /nfs/dbraw/zinc/70/57/63/588705763.db2.gz KWEUOTSVZBBERX-XHNCKOQMSA-N 0 3 227.308 0.641 20 0 BCADHN C[C@H]1CCCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852823092 588705917 /nfs/dbraw/zinc/70/59/17/588705917.db2.gz INRSBAUQRKFKQL-VHSXEESVSA-N 0 3 239.319 0.739 20 0 BCADHN CC(C)NCC(=O)N(C)[C@@H]1CCCCNC1=O ZINC000852825559 588706074 /nfs/dbraw/zinc/70/60/74/588706074.db2.gz RGAFEGHDFQNYCG-SNVBAGLBSA-N 0 3 241.335 0.112 20 0 BCADHN CCCN(CC(F)F)C(=O)C1=NO[C@@H](CN)C1 ZINC000852828555 588706466 /nfs/dbraw/zinc/70/64/66/588706466.db2.gz YRGRJIWKEBZCIW-SSDOTTSWSA-N 0 3 249.261 0.594 20 0 BCADHN CC1(C)CCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852828354 588706480 /nfs/dbraw/zinc/70/64/80/588706480.db2.gz JFOCSEJGBJVAPA-MRVPVSSYSA-N 0 3 225.292 0.491 20 0 BCADHN C[C@@H]1CSCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852839232 588706999 /nfs/dbraw/zinc/70/69/99/588706999.db2.gz ALSNUVPGTYDKNG-SFYZADRCSA-N 0 3 243.332 0.054 20 0 BCADHN CCC1(CNC(=O)C2=NO[C@@H](CN)C2)CCC1 ZINC000852838152 588707241 /nfs/dbraw/zinc/70/72/41/588707241.db2.gz DGUTZPOZCHXUTL-SECBINFHSA-N 0 3 239.319 0.787 20 0 BCADHN NC[C@@H]1CC(C(=O)N(CC(F)F)C2CC2)=NO1 ZINC000852836110 588707244 /nfs/dbraw/zinc/70/72/44/588707244.db2.gz WZWJZEAGOQDFQQ-ZETCQYMHSA-N 0 3 247.245 0.346 20 0 BCADHN C[C@@H](NC1CC1)C(=O)N(C)Cc1c[nH]cn1 ZINC000852836724 588707261 /nfs/dbraw/zinc/70/72/61/588707261.db2.gz HZZBLXGDLNCZQY-MRVPVSSYSA-N 0 3 222.292 0.509 20 0 BCADHN NC[C@@H]1CC(C(=O)N2CCC3(CCC3)C2)=NO1 ZINC000852841743 588707418 /nfs/dbraw/zinc/70/74/18/588707418.db2.gz KDSCHAFMSKNWCN-VIFPVBQESA-N 0 3 237.303 0.493 20 0 BCADHN NC[C@H]1CC(C(=O)Nc2ccsc2)=NO1 ZINC000852842087 588707456 /nfs/dbraw/zinc/70/74/56/588707456.db2.gz PSXHZKQTRJHXNR-SSDOTTSWSA-N 0 3 225.273 0.790 20 0 BCADHN CN(C(=O)C1=NO[C@H](CN)C1)C1CCC1 ZINC000852841843 588707503 /nfs/dbraw/zinc/70/75/03/588707503.db2.gz RRCYMORSAGYOLZ-QMMMGPOBSA-N 0 3 211.265 0.101 20 0 BCADHN NC[C@H]1CC(C(=O)NCCCC2CC2)=NO1 ZINC000852844587 588707653 /nfs/dbraw/zinc/70/76/53/588707653.db2.gz XHHBYIZDCDUGSX-SECBINFHSA-N 0 3 225.292 0.396 20 0 BCADHN C[C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)[C@@H]1C ZINC000852852056 588708217 /nfs/dbraw/zinc/70/82/17/588708217.db2.gz NBZMGXBZLDHMFR-HLTSFMKQSA-N 0 3 225.292 0.347 20 0 BCADHN C[C@@H](N(C)C(=O)C1=NO[C@@H](CN)C1)C1(C)CC1 ZINC000852853038 588708295 /nfs/dbraw/zinc/70/82/95/588708295.db2.gz PVEBDAMAKCKYGQ-RKDXNWHRSA-N 0 3 239.319 0.737 20 0 BCADHN Cn1ccsc1=NC(=O)[C@H]1NCCC1(C)C ZINC000852853537 588708367 /nfs/dbraw/zinc/70/83/67/588708367.db2.gz IDVDXRMXTTWXPG-MRVPVSSYSA-N 0 3 239.344 0.902 20 0 BCADHN CCCC1(CNC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852853596 588708399 /nfs/dbraw/zinc/70/83/99/588708399.db2.gz KHHVJBZTYBKPCW-SECBINFHSA-N 0 3 239.319 0.787 20 0 BCADHN CN[C@@H](C)C(=O)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000852854151 588708692 /nfs/dbraw/zinc/70/86/92/588708692.db2.gz DBYSCQIFYHVGMG-XXILOJSOSA-N 0 3 234.299 0.889 20 0 BCADHN Cc1ccc(CNC(=O)C2=NO[C@H](CN)C2)cn1 ZINC000852858875 588708931 /nfs/dbraw/zinc/70/89/31/588708931.db2.gz JHTOKWDYERNQHQ-JTQLQIEISA-N 0 3 248.286 0.110 20 0 BCADHN Cc1cccc(CNC(=O)C2=NO[C@@H](CN)C2)n1 ZINC000852859725 588709347 /nfs/dbraw/zinc/70/93/47/588709347.db2.gz YGQIHLLULFKRAG-SNVBAGLBSA-N 0 3 248.286 0.110 20 0 BCADHN C[C@@H](NN1C[C@@H](C)NC[C@@H]1C)c1ncnn1C ZINC000852874074 588709726 /nfs/dbraw/zinc/70/97/26/588709726.db2.gz HRNHXQXTIJMCEH-KXUCPTDWSA-N 0 3 238.339 0.063 20 0 BCADHN CC1(C)CN(C(=O)[C@@H]2C[C@@H]2N)[C@@H]1[C@@H]1CCCO1 ZINC000852872502 588709801 /nfs/dbraw/zinc/70/98/01/588709801.db2.gz GYPGHHSADNHMCR-VPOLOUISSA-N 0 3 238.331 0.750 20 0 BCADHN NC[C@H]1CC(C(=O)N2CCCSCC2)=NO1 ZINC000852876075 588710067 /nfs/dbraw/zinc/71/00/67/588710067.db2.gz VBCYLDGKPSUVGT-MRVPVSSYSA-N 0 3 243.332 0.056 20 0 BCADHN Cc1ccc(N)cc1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852877947 588710342 /nfs/dbraw/zinc/71/03/42/588710342.db2.gz GGZIEXWVRVDWCC-SECBINFHSA-N 0 3 248.286 0.619 20 0 BCADHN C[C@H](NN1CCN[C@@H](C)[C@@H]1C)c1ncnn1C ZINC000852878395 588710792 /nfs/dbraw/zinc/71/07/92/588710792.db2.gz KADCXFAFFHMDGU-GUBZILKMSA-N 0 3 238.339 0.063 20 0 BCADHN Cc1ccc(NC(=O)C2=NO[C@@H](CN)C2)cn1 ZINC000852884415 588711278 /nfs/dbraw/zinc/71/12/78/588711278.db2.gz XYECNURTBDHCQA-SECBINFHSA-N 0 3 234.259 0.432 20 0 BCADHN Cc1ccc(NC(=O)C2=NO[C@@H](CN)C2)c(O)c1 ZINC000852883559 588711310 /nfs/dbraw/zinc/71/13/10/588711310.db2.gz ZGVCZBVBMXEJSJ-MRVPVSSYSA-N 0 3 249.270 0.743 20 0 BCADHN CC[C@@H](NC)C(=O)Nc1ccc2nncn2c1 ZINC000852885196 588711339 /nfs/dbraw/zinc/71/13/39/588711339.db2.gz SROSWTSTXZGUAW-SECBINFHSA-N 0 3 233.275 0.666 20 0 BCADHN CC[C@@H]1CC[C@H](C)N1C(=O)C1=NO[C@@H](CN)C1 ZINC000852887990 588711566 /nfs/dbraw/zinc/71/15/66/588711566.db2.gz GBGZYRFPQZZSKJ-IVZWLZJFSA-N 0 3 239.319 0.880 20 0 BCADHN CN(C(=O)C1=NO[C@@H](CN)C1)C(C)(C)C ZINC000852895493 588711962 /nfs/dbraw/zinc/71/19/62/588711962.db2.gz ZFNABHZXSJBIOS-SSDOTTSWSA-N 0 3 213.281 0.347 20 0 BCADHN CO[C@H]1CCCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000852897775 588712221 /nfs/dbraw/zinc/71/22/21/588712221.db2.gz MTZORBORANNPSM-CMPLNLGQSA-N 0 3 244.310 0.716 20 0 BCADHN NCc1cccc(C(=O)NC/C=C/CO)c1 ZINC000852902219 588712474 /nfs/dbraw/zinc/71/24/74/588712474.db2.gz CKRLUVRJEVMERA-OWOJBTEDSA-N 0 3 220.272 0.424 20 0 BCADHN CCNCC(=O)N(C)Cc1ccc(OC)nc1 ZINC000852901348 588712585 /nfs/dbraw/zinc/71/25/85/588712585.db2.gz DXAUCUOGABFQEW-UHFFFAOYSA-N 0 3 237.303 0.658 20 0 BCADHN NCC(=O)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000852907423 588712897 /nfs/dbraw/zinc/71/28/97/588712897.db2.gz LMDHPBRRHZPQDV-VHSXEESVSA-N 0 3 206.245 0.240 20 0 BCADHN COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H](C)NC2CC2)C1 ZINC000852915136 588713120 /nfs/dbraw/zinc/71/31/20/588713120.db2.gz RBIKBTSBQDQNGG-MRTMQBJTSA-N 0 3 240.303 0.195 20 0 BCADHN CCNCC(=O)N1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000852916195 588713167 /nfs/dbraw/zinc/71/31/67/588713167.db2.gz ZDMIKAYLQSKGEJ-ZJUUUORDSA-N 0 3 242.319 0.254 20 0 BCADHN CC1(C)CC(NC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852919237 588713425 /nfs/dbraw/zinc/71/34/25/588713425.db2.gz TVTXIHDGRVLXDA-QMMMGPOBSA-N 0 3 225.292 0.395 20 0 BCADHN CN(C[C@H](O)CO)[C@@H]1CCc2ccccc21 ZINC000861815043 589179138 /nfs/dbraw/zinc/17/91/38/589179138.db2.gz GSXXVUOEFHLWKB-WCQYABFASA-N 0 3 221.300 0.959 20 0 BCADHN Cc1c(F)nccc1CN1CC[C@H](C(N)=O)C1 ZINC000862212121 589194090 /nfs/dbraw/zinc/19/40/90/589194090.db2.gz QBTVQUZXSCSBIS-JTQLQIEISA-N 0 3 237.278 0.836 20 0 BCADHN CCOC(=O)CC(C)(C)CNCc1cn[nH]n1 ZINC000862424040 589211966 /nfs/dbraw/zinc/21/19/66/589211966.db2.gz GBPNRNCJGTXJBJ-UHFFFAOYSA-N 0 3 240.307 0.874 20 0 BCADHN COC(=O)C1=CC[C@H](NCc2cnn(C)c2)C1 ZINC000862466511 589216323 /nfs/dbraw/zinc/21/63/23/589216323.db2.gz ZRCFCUPASJQGMQ-NSHDSACASA-N 0 3 235.287 0.772 20 0 BCADHN COC(=O)C1=CC[C@@H](NCc2cn[nH]c2)C1 ZINC000862465783 589216335 /nfs/dbraw/zinc/21/63/35/589216335.db2.gz UEUMBUDTDMTLOH-SNVBAGLBSA-N 0 3 221.260 0.761 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CSC[C@H]1C ZINC000862542113 589218664 /nfs/dbraw/zinc/21/86/64/589218664.db2.gz FQVJVOAYFQJNQA-HLTSFMKQSA-N 0 3 232.349 0.736 20 0 BCADHN COC[C@H](C)CN[C@@H](C)C(=O)N(C)OC ZINC000862539838 589218871 /nfs/dbraw/zinc/21/88/71/589218871.db2.gz WZTMVHLALLIRHV-BDAKNGLRSA-N 0 3 218.297 0.267 20 0 BCADHN Cc1n[nH]cc1CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862545265 589219208 /nfs/dbraw/zinc/21/92/08/589219208.db2.gz MYGSMCNGJOJMST-NXEZZACHSA-N 0 3 221.260 0.323 20 0 BCADHN Cn1ccc(CN2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000862545795 589219478 /nfs/dbraw/zinc/21/94/78/589219478.db2.gz CASKFTIESPKZHZ-GHMZBOCLSA-N 0 3 220.272 0.630 20 0 BCADHN Cn1cc(/C=C/C(=O)NC[C@H]2CCCN2C)cn1 ZINC000862725205 589236716 /nfs/dbraw/zinc/23/67/16/589236716.db2.gz OSNNEXUZZMKSST-BTDICHCPSA-N 0 3 248.330 0.644 20 0 BCADHN CONC(=O)NC[C@H](C)N(C)C1CC1 ZINC000119072738 589237052 /nfs/dbraw/zinc/23/70/52/589237052.db2.gz NIXXPGHSNOBCJD-ZETCQYMHSA-N 0 3 201.270 0.330 20 0 BCADHN O=C(/C=C\c1ccc[nH]1)NCCN1CC[C@@H](O)C1 ZINC000863321427 589279335 /nfs/dbraw/zinc/27/93/35/589279335.db2.gz UQQONUWHDMIZAQ-VSQXVHSFSA-N 0 3 249.314 0.211 20 0 BCADHN O=C(/C=C/c1ccc[nH]1)NCCN1CC[C@@H](O)C1 ZINC000863321426 589279681 /nfs/dbraw/zinc/27/96/81/589279681.db2.gz UQQONUWHDMIZAQ-AAOUONPWSA-N 0 3 249.314 0.211 20 0 BCADHN CS/C=C\C(=O)NCCN1CC[C@@H](O)C1 ZINC000863322587 589279742 /nfs/dbraw/zinc/27/97/42/589279742.db2.gz ZUVXUGDYXNZBEF-SEYNBYMXSA-N 0 3 230.333 0.046 20 0 BCADHN CC(C)(C)/C=C/C(=O)NCCN1CC[C@@H](O)C1 ZINC000863322778 589280078 /nfs/dbraw/zinc/28/00/78/589280078.db2.gz OZJCOCBRPDXKMH-DUMNWFOQSA-N 0 3 240.347 0.772 20 0 BCADHN COC(CN1CCC(C)(CO)CC1)OC ZINC000119507138 589295073 /nfs/dbraw/zinc/29/50/73/589295073.db2.gz ZOUVCUOYLFXMMT-UHFFFAOYSA-N 0 3 217.309 0.700 20 0 BCADHN CC(C)CC[C@@H](CO)NCCS(C)(=O)=O ZINC000863574380 589301159 /nfs/dbraw/zinc/30/11/59/589301159.db2.gz BJLDOYWHDARREW-JTQLQIEISA-N 0 3 237.365 0.418 20 0 BCADHN O=C(COCc1cccnc1)N1CCCNCC1 ZINC000863585099 589301522 /nfs/dbraw/zinc/30/15/22/589301522.db2.gz QCHRDLJKFMPECL-UHFFFAOYSA-N 0 3 249.314 0.420 20 0 BCADHN CON(C)C(=O)[C@H](C)NC[C@H](O)CCC(C)C ZINC000863587433 589302202 /nfs/dbraw/zinc/30/22/02/589302202.db2.gz NLCRMIBLYKJNLL-WDEREUQCSA-N 0 3 246.351 0.781 20 0 BCADHN O=C(C=C1CCC1)NCCN1CC[C@H](O)C1 ZINC000863831743 589322267 /nfs/dbraw/zinc/32/22/67/589322267.db2.gz NESGAUQWAUTGRE-NSHDSACASA-N 0 3 224.304 0.280 20 0 BCADHN CC1(C)CCN1C[C@H](O)CC1(O)CCOCC1 ZINC000863969498 589329835 /nfs/dbraw/zinc/32/98/35/589329835.db2.gz WCRGLJSKXUIRQY-LLVKDONJSA-N 0 3 243.347 0.763 20 0 BCADHN C[C@]12COC[C@@H]1CN(Cc1ccc(N)nn1)C2 ZINC000864049896 589334728 /nfs/dbraw/zinc/33/47/28/589334728.db2.gz NYVAKVWEKCQGEL-CABZTGNLSA-N 0 3 234.303 0.527 20 0 BCADHN C[C@@H]1CC[C@H](NCc2cnc[nH]2)CS1(=O)=O ZINC000864049861 589334760 /nfs/dbraw/zinc/33/47/60/589334760.db2.gz MYBJQSJQCMZOLK-BDAKNGLRSA-N 0 3 243.332 0.465 20 0 BCADHN COc1cncc(CNC[C@H](O)[C@@H](C)O)c1C ZINC000864052793 589334780 /nfs/dbraw/zinc/33/47/80/589334780.db2.gz POTXIPGLEFKGIA-KOLCDFICSA-N 0 3 240.303 0.230 20 0 BCADHN C[C@@]12COC[C@@H]1CN(Cc1ccc(N)nn1)C2 ZINC000864049897 589334870 /nfs/dbraw/zinc/33/48/70/589334870.db2.gz NYVAKVWEKCQGEL-JOYOIKCWSA-N 0 3 234.303 0.527 20 0 BCADHN COc1cncc(CNC[C@@H](O)[C@H](C)O)c1C ZINC000864052790 589335204 /nfs/dbraw/zinc/33/52/04/589335204.db2.gz POTXIPGLEFKGIA-GXSJLCMTSA-N 0 3 240.303 0.230 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1ccc(C(F)F)nc1 ZINC000864052135 589335208 /nfs/dbraw/zinc/33/52/08/589335208.db2.gz BIPNCRRQBUXVAJ-XCBNKYQSSA-N 0 3 246.257 0.851 20 0 BCADHN C/C=C/[C@H](O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000864067853 589338642 /nfs/dbraw/zinc/33/86/42/589338642.db2.gz KYWDJYATENMNHS-PZIAFJOJSA-N 0 3 240.347 0.912 20 0 BCADHN O=C1OCC[C@H]1CCN1CCCC[C@H]1CO ZINC000120146407 589383539 /nfs/dbraw/zinc/38/35/39/589383539.db2.gz ZEFIBVGEEKXOSP-MNOVXSKESA-N 0 3 227.304 0.786 20 0 BCADHN CN(C)CCn1cc([C@H]2CCCC[C@@H]2O)nn1 ZINC000864623571 589384684 /nfs/dbraw/zinc/38/46/84/589384684.db2.gz WUOGRNCCIDRFEF-PWSUYJOCSA-N 0 3 238.335 0.858 20 0 BCADHN COC(=O)Cc1cn(CCN2CCCC2)nn1 ZINC000864651919 589388253 /nfs/dbraw/zinc/38/82/53/589388253.db2.gz FHGFEYMYZNXZNO-UHFFFAOYSA-N 0 3 238.291 0.089 20 0 BCADHN C[C@@H](CNC(=O)c1cnc2nccn2c1)N(C)C ZINC000864827422 589397009 /nfs/dbraw/zinc/39/70/09/589397009.db2.gz HCNBKSPQGIJGBV-VIFPVBQESA-N 0 3 247.302 0.409 20 0 BCADHN Cn1ncc2cc(CNCCCO)cnc21 ZINC000865398381 589431776 /nfs/dbraw/zinc/43/17/76/589431776.db2.gz VCUPOEDLWZJEAC-UHFFFAOYSA-N 0 3 220.276 0.440 20 0 BCADHN CC(=O)NCCCNCc1cn(C2CC2)cn1 ZINC000865408143 589433433 /nfs/dbraw/zinc/43/34/33/589433433.db2.gz TURYDXFQHAZSQF-UHFFFAOYSA-N 0 3 236.319 0.834 20 0 BCADHN OCCOCCCNCc1cn(C2CC2)cn1 ZINC000865523468 589443144 /nfs/dbraw/zinc/44/31/44/589443144.db2.gz BPLHVLGBOBNLMB-UHFFFAOYSA-N 0 3 239.319 0.707 20 0 BCADHN CCOc1cc(F)cc(CNC[C@H](O)CO)c1 ZINC000865547652 589445426 /nfs/dbraw/zinc/44/54/26/589445426.db2.gz HJKQQACMMBTGMK-NSHDSACASA-N 0 3 243.278 0.667 20 0 BCADHN CN(C)c1ccc(F)cc1CNC[C@H](O)CO ZINC000865547887 589445463 /nfs/dbraw/zinc/44/54/63/589445463.db2.gz NRCYGPXECFEACE-NSHDSACASA-N 0 3 242.294 0.335 20 0 BCADHN C[C@H](CCO)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000120626305 589446436 /nfs/dbraw/zinc/44/64/36/589446436.db2.gz QUXAFWYEEXWQQS-SECBINFHSA-N 0 3 244.335 0.966 20 0 BCADHN COC/C=C\C(=O)N[C@H]1CCN(CCOC)C1 ZINC000865584297 589449020 /nfs/dbraw/zinc/44/90/20/589449020.db2.gz OPMAUEFUAMSTRH-BYCRGOAPSA-N 0 3 242.319 0.026 20 0 BCADHN COC/C=C\C(=O)NC[C@H]1CCCN(C)C1 ZINC000865608928 589450900 /nfs/dbraw/zinc/45/09/00/589450900.db2.gz PJPLIGWAYUHQGC-VLWUPBBWSA-N 0 3 226.320 0.647 20 0 BCADHN CC[C@@H](O)CNCc1cnc2c(cnn2C)c1 ZINC000865626829 589452452 /nfs/dbraw/zinc/45/24/52/589452452.db2.gz ZQXODRQPJQDNLT-LLVKDONJSA-N 0 3 234.303 0.829 20 0 BCADHN CC1(C)OC[C@@H](CN2CCC(O)CC2)O1 ZINC000205599072 589454177 /nfs/dbraw/zinc/45/41/77/589454177.db2.gz YIOXFNXSGNUOLS-SNVBAGLBSA-N 0 3 215.293 0.595 20 0 BCADHN CC1(C)OC[C@H](CN2CCC(O)CC2)O1 ZINC000205599058 589454257 /nfs/dbraw/zinc/45/42/57/589454257.db2.gz YIOXFNXSGNUOLS-JTQLQIEISA-N 0 3 215.293 0.595 20 0 BCADHN c1ncc(CN[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cn1 ZINC000865694915 589456536 /nfs/dbraw/zinc/45/65/36/589456536.db2.gz WEHFMTRYYZXXKX-OBPIAQAESA-N 0 3 231.299 0.990 20 0 BCADHN COC/C=C\C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000865711493 589458108 /nfs/dbraw/zinc/45/81/08/589458108.db2.gz LYUKVIXQARJGHJ-MVZIDQBPSA-N 0 3 238.331 0.742 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1cccc2n[nH]cc21 ZINC000865737987 589459531 /nfs/dbraw/zinc/45/95/31/589459531.db2.gz ISZRFTLNLSYTRO-PRHODGIISA-N 0 3 235.287 0.394 20 0 BCADHN Cc1cccn2c(CNC[C@H](O)[C@H](C)O)cnc12 ZINC000865738679 589459726 /nfs/dbraw/zinc/45/97/26/589459726.db2.gz JCSPCQWZGLPVKF-JQWIXIFHSA-N 0 3 249.314 0.474 20 0 BCADHN Cc1cccc2ncc(CNC[C@@H](O)[C@H](C)O)n21 ZINC000865738665 589459786 /nfs/dbraw/zinc/45/97/86/589459786.db2.gz ITFQCROKRJTPDE-CMPLNLGQSA-N 0 3 249.314 0.474 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1cc2cccnc2o1 ZINC000865738587 589459833 /nfs/dbraw/zinc/45/98/33/589459833.db2.gz OENOOQQQZSWBHW-KCJUWKMLSA-N 0 3 236.271 0.659 20 0 BCADHN Cc1cc(CNC[C@@H](O)[C@H](C)O)c(C)o1 ZINC000865739812 589460002 /nfs/dbraw/zinc/46/00/02/589460002.db2.gz VJQHKZCMNRTSOK-GZMMTYOYSA-N 0 3 213.277 0.728 20 0 BCADHN C[C@H](O)[C@H](O)CNCc1cnc2ccccn12 ZINC000865740370 589460061 /nfs/dbraw/zinc/46/00/61/589460061.db2.gz GQBKLWOHLQMBNH-GXSJLCMTSA-N 0 3 235.287 0.166 20 0 BCADHN C[C@@H](O)[C@H](O)CNCC1=Cc2ccccc2OC1 ZINC000865742305 589460137 /nfs/dbraw/zinc/46/01/37/589460137.db2.gz YCGJVSYAOMNRPF-ZWNOBZJWSA-N 0 3 249.310 0.794 20 0 BCADHN Cc1ccc2ncc(CNC[C@H](O)[C@H](C)O)n2c1 ZINC000865739992 589460141 /nfs/dbraw/zinc/46/01/41/589460141.db2.gz YXEJGCUTZSPEDR-JQWIXIFHSA-N 0 3 249.314 0.474 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1ccc2[nH]cnc2c1 ZINC000865742206 589460151 /nfs/dbraw/zinc/46/01/51/589460151.db2.gz WVQSRIQXHMAMOZ-PELKAZGASA-N 0 3 235.287 0.394 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1ccc2nc[nH]c2c1 ZINC000865742206 589460152 /nfs/dbraw/zinc/46/01/52/589460152.db2.gz WVQSRIQXHMAMOZ-PELKAZGASA-N 0 3 235.287 0.394 20 0 BCADHN Cn1nncc1CNCC[C@@H](O)C1CCCC1 ZINC000865876490 589466944 /nfs/dbraw/zinc/46/69/44/589466944.db2.gz VVGOINOVGNKZMW-GFCCVEGCSA-N 0 3 238.335 0.846 20 0 BCADHN Nc1nc(N)nc(N2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000866162169 589478443 /nfs/dbraw/zinc/47/84/43/589478443.db2.gz MXCUOIKNCKIFJJ-OCAPTIKFSA-N 0 3 232.291 0.438 20 0 BCADHN CCc1cc(N2CC[C@@H](O)[C@@H](O)C2)ccn1 ZINC000866222944 589481369 /nfs/dbraw/zinc/48/13/69/589481369.db2.gz CEVPJAJDGSHUQQ-NEPJUHHUSA-N 0 3 222.288 0.576 20 0 BCADHN CC/C=C(\F)C(=O)NCC1(O)CCN(C)CC1 ZINC000866222800 589481411 /nfs/dbraw/zinc/48/14/11/589481411.db2.gz WZMUENOXODTKDH-WMZJFQQLSA-N 0 3 244.310 0.823 20 0 BCADHN Cc1cc(N2C[C@H](O)CC(C)(C)C2)nc(N)n1 ZINC000866227201 589481745 /nfs/dbraw/zinc/48/17/45/589481745.db2.gz WOQFVFNGBQXFHC-SECBINFHSA-N 0 3 236.319 0.964 20 0 BCADHN CN(C)CCN(C)C(=O)C1(F)CCOCC1 ZINC000866309719 589485704 /nfs/dbraw/zinc/48/57/04/589485704.db2.gz JNOYCXATGDUVRN-UHFFFAOYSA-N 0 3 232.299 0.525 20 0 BCADHN CC1(C)C[C@@H](O)CN(C[C@@H]2CNCCO2)C1 ZINC000866702710 589513895 /nfs/dbraw/zinc/51/38/95/589513895.db2.gz FMNOEGYUODDUMG-MNOVXSKESA-N 0 3 228.336 0.068 20 0 BCADHN CCS(=O)(=O)N1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000867808427 589534427 /nfs/dbraw/zinc/53/44/27/589534427.db2.gz MZZKJBPVJOPWDU-VHSXEESVSA-N 0 3 232.349 0.362 20 0 BCADHN CCS(=O)(=O)N1CC[C@H]2[C@H](CCN2C)C1 ZINC000867808429 589534689 /nfs/dbraw/zinc/53/46/89/589534689.db2.gz MZZKJBPVJOPWDU-ZJUUUORDSA-N 0 3 232.349 0.362 20 0 BCADHN CN1CC[C@H]2CN(S(=O)(=O)C3CC3)CC[C@@H]21 ZINC000867812482 589535318 /nfs/dbraw/zinc/53/53/18/589535318.db2.gz KEYMAEUYBAOHAA-ONGXEEELSA-N 0 3 244.360 0.505 20 0 BCADHN CCCS(=O)(=O)N1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000867809445 589535413 /nfs/dbraw/zinc/53/54/13/589535413.db2.gz RLVBCQDRTZLONC-WDEREUQCSA-N 0 3 246.376 0.752 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000867992657 589542635 /nfs/dbraw/zinc/54/26/35/589542635.db2.gz PXSOQCUPEVTZDL-ZRUFSTJUSA-N 0 3 206.289 0.758 20 0 BCADHN C[C@@H](N)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000867996128 589542934 /nfs/dbraw/zinc/54/29/34/589542934.db2.gz QRHKUXYTEHPLOI-MIMYLULJSA-N 0 3 226.320 0.513 20 0 BCADHN CNCC(=O)NC[C@H]1c2ccccc2CN1C ZINC000867999114 589542948 /nfs/dbraw/zinc/54/29/48/589542948.db2.gz RRFUGACODJVZLB-LBPRGKRZSA-N 0 3 233.315 0.509 20 0 BCADHN NCCC(=O)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC000867997423 589542994 /nfs/dbraw/zinc/54/29/94/589542994.db2.gz WNBXHBJPCFVPFH-VIFPVBQESA-N 0 3 248.282 0.485 20 0 BCADHN CCNCC(=O)NC[C@@H]1c2ccccc2CN1C ZINC000867999017 589543111 /nfs/dbraw/zinc/54/31/11/589543111.db2.gz OUUADSZVSYEPIQ-CYBMUJFWSA-N 0 3 247.342 0.899 20 0 BCADHN C[C@@H](N)C(=O)NC[C@H]1CC(=O)c2ccccc2O1 ZINC000867997380 589543165 /nfs/dbraw/zinc/54/31/65/589543165.db2.gz VGLUFIZOTMQSMM-RKDXNWHRSA-N 0 3 248.282 0.484 20 0 BCADHN COC/C=C\C(=O)NC1(CN(C)C)CCC1 ZINC000868020648 589544312 /nfs/dbraw/zinc/54/43/12/589544312.db2.gz TYAWIQLNONFQCT-XQRVVYSFSA-N 0 3 226.320 0.790 20 0 BCADHN CCNCC(=O)N[C@H](C)c1ccnn1C ZINC000868027514 589545200 /nfs/dbraw/zinc/54/52/00/589545200.db2.gz XTIAFWWSSWMURU-MRVPVSSYSA-N 0 3 210.281 0.207 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)NC1([C@@H]2CCCCO2)CCC1 ZINC000868046680 589546280 /nfs/dbraw/zinc/54/62/80/589546280.db2.gz FUMIELUSIBUGSW-AXFHLTTASA-N 0 3 238.331 0.942 20 0 BCADHN COC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000121990625 589546842 /nfs/dbraw/zinc/54/68/42/589546842.db2.gz PMYKGEQKOYDLDA-RKDXNWHRSA-N 0 3 214.265 0.206 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCn2nccc21 ZINC000868053612 589547442 /nfs/dbraw/zinc/54/74/42/589547442.db2.gz NTIAEOXGKXCPMT-YIZRAAEISA-N 0 3 220.276 0.181 20 0 BCADHN CC(C)(N)C(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000868071293 589547711 /nfs/dbraw/zinc/54/77/11/589547711.db2.gz ZJORDEZVYFVOSI-BDAKNGLRSA-N 0 3 228.361 0.935 20 0 BCADHN COCCN(C)CCNC(=S)NC1CC1 ZINC000122122862 589556322 /nfs/dbraw/zinc/55/63/22/589556322.db2.gz PMWYBFDULCTXJU-UHFFFAOYSA-N 0 3 231.365 0.191 20 0 BCADHN CN(C)CCn1cc(C(=O)N2CC3(CC3)C2)cn1 ZINC000868621882 589568672 /nfs/dbraw/zinc/56/86/72/589568672.db2.gz PZGTVOKBWVGTOT-UHFFFAOYSA-N 0 3 248.330 0.681 20 0 BCADHN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NOCCN(C)C ZINC000868627957 589569046 /nfs/dbraw/zinc/56/90/46/589569046.db2.gz DSWAUNGFIFNCNY-RCWTZXSCSA-N 0 3 226.320 0.888 20 0 BCADHN C[NH+](C)CCO[N-]C(=O)CC1CSC1 ZINC000868629418 589569057 /nfs/dbraw/zinc/56/90/57/589569057.db2.gz ORNACHUJGYKUAX-UHFFFAOYSA-N 0 3 218.322 0.349 20 0 BCADHN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NOCCN(C)C ZINC000868627959 589569153 /nfs/dbraw/zinc/56/91/53/589569153.db2.gz DSWAUNGFIFNCNY-YTWAJWBKSA-N 0 3 226.320 0.888 20 0 BCADHN CN(C[C@@H]1CCCN1C)C(=O)[C@H]1CCC(=O)O1 ZINC000868927044 589582724 /nfs/dbraw/zinc/58/27/24/589582724.db2.gz HDNUVYKLOPSNHC-VHSXEESVSA-N 0 3 240.303 0.245 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869778410 589629857 /nfs/dbraw/zinc/62/98/57/589629857.db2.gz JGBKNHRRGOXMFS-OUAUKWLOSA-N 0 3 240.347 0.604 20 0 BCADHN COCCN(CCC(=O)OC)CC[C@H](C)O ZINC000122901321 589642940 /nfs/dbraw/zinc/64/29/40/589642940.db2.gz IALDSFVQZIRMNE-JTQLQIEISA-N 0 3 233.308 0.269 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)Cc1ccn(C)n1 ZINC000870547208 589672803 /nfs/dbraw/zinc/67/28/03/589672803.db2.gz CIPKPRYQGGGILO-NSHDSACASA-N 0 3 239.319 0.846 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)Cc1ccn(C)n1 ZINC000870547207 589673113 /nfs/dbraw/zinc/67/31/13/589673113.db2.gz CIPKPRYQGGGILO-LLVKDONJSA-N 0 3 239.319 0.846 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)[C@H](COC)OC ZINC000870547962 589673507 /nfs/dbraw/zinc/67/35/07/589673507.db2.gz HYBHISVKHDLPJC-ZJUUUORDSA-N 0 3 233.308 0.531 20 0 BCADHN CC[C@@H](CN(C)C)OC(=O)c1cn(C)nn1 ZINC000870548304 589673529 /nfs/dbraw/zinc/67/35/29/589673529.db2.gz PFJBRWFNPQEVAZ-QMMMGPOBSA-N 0 3 226.280 0.312 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)[C@H](C)NC(=O)OC ZINC000870549683 589673558 /nfs/dbraw/zinc/67/35/58/589673558.db2.gz FRMDORJYYVWKFI-DTWKUNHWSA-N 0 3 246.307 0.614 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)C[C@@H]1COC(=O)C1 ZINC000870549932 589674339 /nfs/dbraw/zinc/67/43/39/589674339.db2.gz KPZLUNKCQHOJCY-NXEZZACHSA-N 0 3 243.303 0.823 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)[C@H](C)OC ZINC000870552597 589674636 /nfs/dbraw/zinc/67/46/36/589674636.db2.gz WNLLHXBIAAYHGM-DTWKUNHWSA-N 0 3 203.282 0.905 20 0 BCADHN CC[C@H](CN(C)C)OC(=O)CCCCC(N)=O ZINC000870553525 589675437 /nfs/dbraw/zinc/67/54/37/589675437.db2.gz LWLOHSIGRPGAKC-SNVBAGLBSA-N 0 3 244.335 0.916 20 0 BCADHN CC(C)[C@H](CN(C)C)OC(=O)c1cnnn1C ZINC000870567661 589676602 /nfs/dbraw/zinc/67/66/02/589676602.db2.gz SIBXHMYXSWTYRJ-JTQLQIEISA-N 0 3 240.307 0.558 20 0 BCADHN O=C(CC[NH2+]CC1CC1)[N-]O[C@@H]1CCCCO1 ZINC000870876967 589693538 /nfs/dbraw/zinc/69/35/38/589693538.db2.gz WNPMZIGPKSSKQE-GFCCVEGCSA-N 0 3 242.319 0.951 20 0 BCADHN C[C@@H](N)C(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000870981863 589703673 /nfs/dbraw/zinc/70/36/73/589703673.db2.gz KJWDYOKFCGSSGS-VGMNWLOBSA-N 0 3 214.334 0.545 20 0 BCADHN C[C@H](N)C(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000870981865 589704059 /nfs/dbraw/zinc/70/40/59/589704059.db2.gz KJWDYOKFCGSSGS-YIZRAAEISA-N 0 3 214.334 0.545 20 0 BCADHN CC[C@@H](N)C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000870985172 589704329 /nfs/dbraw/zinc/70/43/29/589704329.db2.gz JWQKIMLMUIGAHK-RKDXNWHRSA-N 0 3 214.309 0.343 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000870980059 589704555 /nfs/dbraw/zinc/70/45/55/589704555.db2.gz IRAQEQJFLOXROX-IVZWLZJFSA-N 0 3 228.361 0.806 20 0 BCADHN CN[C@@H](C)C(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000870980058 589704701 /nfs/dbraw/zinc/70/47/01/589704701.db2.gz IRAQEQJFLOXROX-GUBZILKMSA-N 0 3 228.361 0.806 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000870980285 589704773 /nfs/dbraw/zinc/70/47/73/589704773.db2.gz OETJPOIEXWMGQJ-DOLQZWNJSA-N 0 3 226.345 0.545 20 0 BCADHN N[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000870980287 589704814 /nfs/dbraw/zinc/70/48/14/589704814.db2.gz OETJPOIEXWMGQJ-XFWSIPNHSA-N 0 3 226.345 0.545 20 0 BCADHN CC1(C)CN[C@H]1C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000870981822 589704837 /nfs/dbraw/zinc/70/48/37/589704837.db2.gz APOREJIKUHVODV-ZJUUUORDSA-N 0 3 240.347 0.604 20 0 BCADHN CC(C)C[C@H](N)C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000870984743 589706342 /nfs/dbraw/zinc/70/63/42/589706342.db2.gz CPNLRSKTCPMMHZ-QWRGUYRKSA-N 0 3 242.363 0.979 20 0 BCADHN CC1(C)C[C@H](O)CN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000870987270 589707209 /nfs/dbraw/zinc/70/72/09/589707209.db2.gz XHDOSWAFTAJLQD-JOYOIKCWSA-N 0 3 244.310 0.307 20 0 BCADHN CC[C@H](NC)C(=O)Nc1ccn(CCF)n1 ZINC000871011521 589709282 /nfs/dbraw/zinc/70/92/82/589709282.db2.gz UVAKRXDPRIDXQO-QMMMGPOBSA-N 0 3 228.271 0.789 20 0 BCADHN CC(C)(N)C(=O)Nc1ccn(CCF)n1 ZINC000871011082 589711114 /nfs/dbraw/zinc/71/11/14/589711114.db2.gz OTDNMPOVNKTQJV-UHFFFAOYSA-N 0 3 214.244 0.528 20 0 BCADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)c1ccnn1C ZINC000871011791 589711458 /nfs/dbraw/zinc/71/14/58/589711458.db2.gz YTMFDRFYBGVHGS-QXEWZRGKSA-N 0 3 238.335 0.971 20 0 BCADHN C[C@@H](O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871154824 589739548 /nfs/dbraw/zinc/73/95/48/589739548.db2.gz KLFREMCMZMMTDV-SECBINFHSA-N 0 3 214.309 0.310 20 0 BCADHN CN1CCN(C(=O)C(C)(C)CO)CCC1(C)C ZINC000871155854 589739800 /nfs/dbraw/zinc/73/98/00/589739800.db2.gz FKAYIBDPTIFKGV-UHFFFAOYSA-N 0 3 242.363 0.948 20 0 BCADHN CCCCN(CCC1OCCO1)CC(N)=O ZINC000123826908 589825084 /nfs/dbraw/zinc/82/50/84/589825084.db2.gz QQHGABHUTYWLIO-UHFFFAOYSA-N 0 3 230.308 0.337 20 0 BCADHN CN(CCC1OCCO1)C[C@H]1CCCO1 ZINC000123844656 589828820 /nfs/dbraw/zinc/82/88/20/589828820.db2.gz IEZPYKXTNTZCOH-SNVBAGLBSA-N 0 3 215.293 0.860 20 0 BCADHN CN(CCC1OCCO1)C[C@@H]1CCCO1 ZINC000123844435 589828847 /nfs/dbraw/zinc/82/88/47/589828847.db2.gz IEZPYKXTNTZCOH-JTQLQIEISA-N 0 3 215.293 0.860 20 0 BCADHN CCN1CCN(C[C@H](O)CC(C)(C)O)CC1 ZINC000871964753 589846970 /nfs/dbraw/zinc/84/69/70/589846970.db2.gz ZAFDHCTWBACFBV-LLVKDONJSA-N 0 3 230.352 0.146 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1CCSCC1 ZINC000871974099 589849323 /nfs/dbraw/zinc/84/93/23/589849323.db2.gz XJDYXYBMHSQMLC-SECBINFHSA-N 0 3 219.350 0.557 20 0 BCADHN C[C@@H](O)CCN(C)C[C@@H](O)CC(C)(C)O ZINC000871978290 589851113 /nfs/dbraw/zinc/85/11/13/589851113.db2.gz WCWKYQJBTFPOLK-ZJUUUORDSA-N 0 3 219.325 0.211 20 0 BCADHN CC(C)(O)C[C@H](O)CN1CCC1(C)C ZINC000871980189 589852216 /nfs/dbraw/zinc/85/22/16/589852216.db2.gz XOSXNCNRKRYENF-VIFPVBQESA-N 0 3 201.310 0.993 20 0 BCADHN CCOC(=O)[C@@H](C)C1CN(CC(C)(C)O)C1 ZINC000871992253 589854951 /nfs/dbraw/zinc/85/49/51/589854951.db2.gz DCADYQVMCMVLPF-VIFPVBQESA-N 0 3 229.320 0.888 20 0 BCADHN CCOC(=O)[C@@H](C)C1CN(C[C@@H](O)CC)C1 ZINC000871994445 589855142 /nfs/dbraw/zinc/85/51/42/589855142.db2.gz TXGQFVYSOAAXPW-ONGXEEELSA-N 0 3 229.320 0.888 20 0 BCADHN COC(=O)N1CC(N[C@@H]2CCOC(C)(C)C2)C1 ZINC000872053156 589861241 /nfs/dbraw/zinc/86/12/41/589861241.db2.gz SOLJZECRMCJRAD-SECBINFHSA-N 0 3 242.319 0.984 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCNC[C@H]2C(F)F)C1 ZINC000872143056 589883349 /nfs/dbraw/zinc/88/33/49/589883349.db2.gz KHNMOVZVAMRJEE-AEJSXWLSSA-N 0 3 234.290 0.950 20 0 BCADHN CC(C)(O)C[C@@H](O)CNC1CC(F)(F)C1 ZINC000872207089 589892463 /nfs/dbraw/zinc/89/24/63/589892463.db2.gz MJYHGTQQAUOKPE-MRVPVSSYSA-N 0 3 223.263 0.896 20 0 BCADHN CC(C)(O)C[C@@H](O)CNC[C@H](O)C(F)(F)F ZINC000872213683 589893991 /nfs/dbraw/zinc/89/39/91/589893991.db2.gz WVVYXSTUMKVVQA-RQJHMYQMSA-N 0 3 245.241 0.021 20 0 BCADHN C[C@@H](NC[C@H](O)Cn1cccn1)c1ccnn1C ZINC000872238038 589898850 /nfs/dbraw/zinc/89/88/50/589898850.db2.gz DJMVFAIWCRMCEZ-MNOVXSKESA-N 0 3 249.318 0.328 20 0 BCADHN NC(=O)CCNCc1cc2c([nH]c1=O)CCCC2 ZINC000872240950 589899565 /nfs/dbraw/zinc/89/95/65/589899565.db2.gz KKMHAMZUDBCYPT-UHFFFAOYSA-N 0 3 249.314 0.631 20 0 BCADHN Cc1ccc(CN2C[C@@H]3COC[C@@H]3C2)nn1 ZINC000872266412 589902984 /nfs/dbraw/zinc/90/29/84/589902984.db2.gz WCEGNFFSEAKUSV-PHIMTYICSA-N 0 3 219.288 0.863 20 0 BCADHN O=C(CN[C@]12CCC[C@H]1OCC2)N1CCCC1 ZINC000872311198 589909589 /nfs/dbraw/zinc/90/95/89/589909589.db2.gz CZDHPPPSDITDHW-YPMHNXCESA-N 0 3 238.331 0.910 20 0 BCADHN CN(C)CCNc1cc(C(N)=O)nc(Cl)n1 ZINC000872387458 589930427 /nfs/dbraw/zinc/93/04/27/589930427.db2.gz RAGOQHVSEUICLM-UHFFFAOYSA-N 0 3 243.698 0.202 20 0 BCADHN Cc1nn(C)c(C)c1CNCC[S@@](C)=O ZINC000124158608 589953845 /nfs/dbraw/zinc/95/38/45/589953845.db2.gz WUWNMNKVXOETCW-HNNXBMFYSA-N 0 3 229.349 0.505 20 0 BCADHN C[C@@H]1C[C@H](C)N(CN2CC3(COC3)CC2=O)C1 ZINC000872581799 589954269 /nfs/dbraw/zinc/95/42/69/589954269.db2.gz FXUREBSKALAJJU-MNOVXSKESA-N 0 3 238.331 0.923 20 0 BCADHN CN(CC1CN(C)C1)c1cc(Cl)n[nH]c1=O ZINC000872598547 589955281 /nfs/dbraw/zinc/95/52/81/589955281.db2.gz NYSFWTQBMZZWNI-UHFFFAOYSA-N 0 3 242.710 0.833 20 0 BCADHN OCCC1C[C@H]2CC[C@@H](C1)N2Cn1cnnc1 ZINC000872757733 589966169 /nfs/dbraw/zinc/96/61/69/589966169.db2.gz HBLHMDASYXTAAG-YOGCLGLASA-N 0 3 236.319 0.861 20 0 BCADHN Cn1ncnc1N1CC[C@H]2[C@@H]1CCCN2C ZINC000872778334 589968679 /nfs/dbraw/zinc/96/86/79/589968679.db2.gz GUUXCGWDHRVCDC-UWVGGRQHSA-N 0 3 221.308 0.488 20 0 BCADHN Cn1cnc(N2CC[C@@H]3[C@@H]2CCCN3C)cc1=O ZINC000872778566 589969473 /nfs/dbraw/zinc/96/94/73/589969473.db2.gz JKNNPVOPNWVUTA-MNOVXSKESA-N 0 3 248.330 0.453 20 0 BCADHN CC1(C)CCC(=O)N1CN1C[C@@H]2COC[C@@H]2C1 ZINC000872786116 589970922 /nfs/dbraw/zinc/97/09/22/589970922.db2.gz RQIXNACGBBKRAS-PHIMTYICSA-N 0 3 238.331 0.923 20 0 BCADHN C[C@H](CNCc1ccon1)N1CCN(C)CC1 ZINC000873044166 589981605 /nfs/dbraw/zinc/98/16/05/589981605.db2.gz FMPFZDIMJOOIJX-LLVKDONJSA-N 0 3 238.335 0.400 20 0 BCADHN CCOC(CN(C)[C@H](C)CO)OCC ZINC000124392493 589984086 /nfs/dbraw/zinc/98/40/86/589984086.db2.gz WAVQCHGWKYPPPR-SECBINFHSA-N 0 3 205.298 0.698 20 0 BCADHN O=C1OCC[C@H]1CCCNCc1cc[nH]n1 ZINC000873163607 589989227 /nfs/dbraw/zinc/98/92/27/589989227.db2.gz YCIBWPNMWABAOV-SECBINFHSA-N 0 3 223.276 0.843 20 0 BCADHN CC(C)(C)[C@H](CO)NCc1cnc(N)cn1 ZINC000873208917 589993895 /nfs/dbraw/zinc/99/38/95/589993895.db2.gz XZHSDROTWMHFMM-VIFPVBQESA-N 0 3 224.308 0.555 20 0 BCADHN C[C@@H]1CN(Cc2cnc(N)cn2)[C@@H](C)CN1C ZINC000873208848 589994642 /nfs/dbraw/zinc/99/46/42/589994642.db2.gz VUDTYXUMAKWHQG-ZJUUUORDSA-N 0 3 235.335 0.583 20 0 BCADHN C[C@H](CC(N)=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000873294918 590024173 /nfs/dbraw/zinc/02/41/73/590024173.db2.gz VYNYPXCUXZPWCB-MFKMUULPSA-N 0 3 247.342 0.554 20 0 BCADHN Cc1nonc1CN[C@@H](C)C[C@H]1COCCN1 ZINC000873296068 590024445 /nfs/dbraw/zinc/02/44/45/590024445.db2.gz UXKWGXXIYRXUQD-WPRPVWTQSA-N 0 3 240.307 0.235 20 0 BCADHN C[C@@H](CC(N)=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000873294916 590024536 /nfs/dbraw/zinc/02/45/36/590024536.db2.gz VYNYPXCUXZPWCB-GWCFXTLKSA-N 0 3 247.342 0.554 20 0 BCADHN CC(C)(N)C(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873299492 590024703 /nfs/dbraw/zinc/02/47/03/590024703.db2.gz RZIICNHJTXTAKX-LPEHRKFASA-N 0 3 226.320 0.798 20 0 BCADHN CC[C@@H](OC(=O)C1CCCN(C)C1=O)C(C)=O ZINC000873399272 590038298 /nfs/dbraw/zinc/03/82/98/590038298.db2.gz IQAMRZUTYDCJEP-VHSXEESVSA-N 0 3 241.287 0.766 20 0 BCADHN CCN(CC)CCOC(=O)[C@]1(C)CCC(=O)N1 ZINC000873458830 590046607 /nfs/dbraw/zinc/04/66/07/590046607.db2.gz VIBYBEZNMYJCMI-LBPRGKRZSA-N 0 3 242.319 0.540 20 0 BCADHN CCOC(=O)[C@@H](C(=O)NCCN(C)C)C(C)C ZINC000873735220 590069810 /nfs/dbraw/zinc/06/98/10/590069810.db2.gz BGQPTXHXLCNASL-SNVBAGLBSA-N 0 3 244.335 0.500 20 0 BCADHN CN(CC1CCOCC1)CN1CCOC1=S ZINC000124767374 590084710 /nfs/dbraw/zinc/08/47/10/590084710.db2.gz NVLJZGTVIDTXBL-UHFFFAOYSA-N 0 3 244.360 0.919 20 0 BCADHN C[N@@H+]1CC[C@H](CC(=O)Nc2nc[n-]n2)C1 ZINC000874086936 590090882 /nfs/dbraw/zinc/09/08/82/590090882.db2.gz NLACKSRDKBDKQB-SSDOTTSWSA-N 0 3 209.253 0.085 20 0 BCADHN C[N@H+]1CC[C@H](CC(=O)Nc2nc[n-]n2)C1 ZINC000874086936 590090884 /nfs/dbraw/zinc/09/08/84/590090884.db2.gz NLACKSRDKBDKQB-SSDOTTSWSA-N 0 3 209.253 0.085 20 0 BCADHN CN(CCNC(=O)CN1CCCC1)C1CC1 ZINC000874183129 590096648 /nfs/dbraw/zinc/09/66/48/590096648.db2.gz QHJIWGWFZGMQEX-UHFFFAOYSA-N 0 3 225.336 0.293 20 0 BCADHN C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C1)N1CCCC1 ZINC000874379557 590106534 /nfs/dbraw/zinc/10/65/34/590106534.db2.gz ONPNYZFFVZZSNY-GARJFASQSA-N 0 3 226.320 0.358 20 0 BCADHN CC(C)[C@H](CN(C)C)NC(=O)[C@@H](C)N(C)C ZINC000874468869 590114549 /nfs/dbraw/zinc/11/45/49/590114549.db2.gz SXQGPEXWCOTNMX-MNOVXSKESA-N 0 3 229.368 0.639 20 0 BCADHN C(CN1CCCC2(C1)OCCO2)C1OCCO1 ZINC000125120487 590122804 /nfs/dbraw/zinc/12/28/04/590122804.db2.gz YYCAXCWYFAFGTG-UHFFFAOYSA-N 0 3 243.303 0.588 20 0 BCADHN CC(C(=O)N[C@H]1CC12CCC2)S(C)(=O)=O ZINC000874788359 590136403 /nfs/dbraw/zinc/13/64/03/590136403.db2.gz LWQYBHGALPRNEJ-SFYZADRCSA-N 0 3 231.317 0.478 20 0 BCADHN Cc1n[nH]nc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874828400 590141966 /nfs/dbraw/zinc/14/19/66/590141966.db2.gz GRBFFZWIJOPPLK-ZJUUUORDSA-N 0 3 249.318 0.422 20 0 BCADHN Cc1nn[nH]c1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874828400 590141968 /nfs/dbraw/zinc/14/19/68/590141968.db2.gz GRBFFZWIJOPPLK-ZJUUUORDSA-N 0 3 249.318 0.422 20 0 BCADHN Cn1nncc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874829298 590142632 /nfs/dbraw/zinc/14/26/32/590142632.db2.gz LPYWTHMLPUSVRL-NXEZZACHSA-N 0 3 249.318 0.124 20 0 BCADHN CC(C)[C@H](O)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874827924 590142651 /nfs/dbraw/zinc/14/26/51/590142651.db2.gz FMGMACMDHFZBPV-UTUOFQBUSA-N 0 3 240.347 0.698 20 0 BCADHN COCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874837071 590143118 /nfs/dbraw/zinc/14/31/18/590143118.db2.gz GKSGLWAWXPQYMI-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccon1 ZINC000874843877 590144779 /nfs/dbraw/zinc/14/47/79/590144779.db2.gz PNKKZGAEVLLSIO-QWRGUYRKSA-N 0 3 235.287 0.983 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ncccn1 ZINC000874839500 590145062 /nfs/dbraw/zinc/14/50/62/590145062.db2.gz XDJCCQZURUZLRN-MNOVXSKESA-N 0 3 246.314 0.785 20 0 BCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cccn1 ZINC000874844553 590145302 /nfs/dbraw/zinc/14/53/02/590145302.db2.gz CAKNNCJUVCFKSZ-RYUDHWBXSA-N 0 3 248.330 0.578 20 0 BCADHN Cn1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)n1 ZINC000874841601 590145461 /nfs/dbraw/zinc/14/54/61/590145461.db2.gz WFYMUCKWPRWLCE-NEPJUHHUSA-N 0 3 248.330 0.729 20 0 BCADHN Cn1nccc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874841571 590145632 /nfs/dbraw/zinc/14/56/32/590145632.db2.gz CLHWSILCVACRGG-MNOVXSKESA-N 0 3 248.330 0.729 20 0 BCADHN CC(C)N(C)CC(=O)N1CC[C@H](C(C)(C)O)C1 ZINC000874878280 590152628 /nfs/dbraw/zinc/15/26/28/590152628.db2.gz AICLSEAHQRMDON-NSHDSACASA-N 0 3 242.363 0.946 20 0 BCADHN CN(CCC1OCCO1)C1(C(N)=O)CCCC1 ZINC000125215061 590156498 /nfs/dbraw/zinc/15/64/98/590156498.db2.gz QZIKQOMGICOGFB-UHFFFAOYSA-N 0 3 242.319 0.479 20 0 BCADHN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCNCC1 ZINC000876506065 590204509 /nfs/dbraw/zinc/20/45/09/590204509.db2.gz PRNYHWHUJHKNEW-VHSXEESVSA-N 0 3 240.303 0.008 20 0 BCADHN O=C(c1cc(Cl)no1)N1CCCNCC1 ZINC000876506729 590204718 /nfs/dbraw/zinc/20/47/18/590204718.db2.gz YUOMMDVVOOXGSU-UHFFFAOYSA-N 0 3 229.667 0.764 20 0 BCADHN Cc1ccnn1CC(=O)N1CCNCC1(C)C ZINC000876538157 590211696 /nfs/dbraw/zinc/21/16/96/590211696.db2.gz MLJKFWYQGVVELF-UHFFFAOYSA-N 0 3 236.319 0.402 20 0 BCADHN CCC[C@H](CC)C(=O)N1CCN(C)C[C@@H]1CN ZINC000876542182 590212602 /nfs/dbraw/zinc/21/26/02/590212602.db2.gz LGCZSAHNWNMDTJ-RYUDHWBXSA-N 0 3 241.379 0.914 20 0 BCADHN Cc1nn(C)cc1CN[C@@H]1CCN(C)C1 ZINC000126024523 590215841 /nfs/dbraw/zinc/21/58/41/590215841.db2.gz RBOWQVZMDNMXOM-LLVKDONJSA-N 0 3 208.309 0.522 20 0 BCADHN Cc1ccc(CNC(=O)[C@@H](N)CN(C)C)c(C)c1 ZINC000876588503 590219199 /nfs/dbraw/zinc/21/91/99/590219199.db2.gz YGRUYBAHYSXKCT-ZDUSSCGKSA-N 0 3 249.358 0.809 20 0 BCADHN C[C@H]1CCC[C@@H](N(C)C(=O)[C@@H](N)CN(C)C)C1 ZINC000876589220 590219230 /nfs/dbraw/zinc/21/92/30/590219230.db2.gz LCOTZLGFXHWCLP-TUAOUCFPSA-N 0 3 241.379 0.912 20 0 BCADHN Cc1cccc2c1CCN2C(=O)[C@@H](N)CN(C)C ZINC000876630002 590223617 /nfs/dbraw/zinc/22/36/17/590223617.db2.gz QDDKCFBXRZOART-LBPRGKRZSA-N 0 3 247.342 0.773 20 0 BCADHN Cn1ncc2cc(CN3CC[C@H](CO)C3)cnc21 ZINC000876659765 590227068 /nfs/dbraw/zinc/22/70/68/590227068.db2.gz FSPWVENOSAMDAV-JTQLQIEISA-N 0 3 246.314 0.783 20 0 BCADHN C[C@H]1SCCN(C(=O)[C@@H](N)CN(C)C)[C@@H]1C ZINC000876670155 590228701 /nfs/dbraw/zinc/22/87/01/590228701.db2.gz HNQQTHNOONQQHQ-BBBLOLIVSA-N 0 3 245.392 0.228 20 0 BCADHN [NH3+][C@H]1CC=C(C(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000876705848 590232097 /nfs/dbraw/zinc/23/20/97/590232097.db2.gz CDHHKXLJOAJCDN-VHSXEESVSA-N 0 3 226.276 0.608 20 0 BCADHN CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)[N-]OCC(F)(F)F ZINC000876706678 590232280 /nfs/dbraw/zinc/23/22/80/590232280.db2.gz BROVUPUJOZAPOS-PHDIDXHHSA-N 0 3 240.225 0.970 20 0 BCADHN O=C(N[C@H]1CNCCC1(F)F)C12CC(C1)C2 ZINC000876865353 590251400 /nfs/dbraw/zinc/25/14/00/590251400.db2.gz YCCNSVYXJPFAOP-ZCUBBSJVSA-N 0 3 230.258 0.900 20 0 BCADHN Cc1conc1C(=O)N[C@H]1CNCCC1(F)F ZINC000876865806 590251418 /nfs/dbraw/zinc/25/14/18/590251418.db2.gz HRTRIXMWDLGOHT-ZETCQYMHSA-N 0 3 245.229 0.710 20 0 BCADHN COC1CC(C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000876865296 590251501 /nfs/dbraw/zinc/25/15/01/590251501.db2.gz XGNYRRBRUCKAKW-AMDVSUOASA-N 0 3 248.273 0.525 20 0 BCADHN Cc1ccc(NC(=O)[C@@H](N)CN(C)C)c(O)c1 ZINC000876872967 590252044 /nfs/dbraw/zinc/25/20/44/590252044.db2.gz SFSVULBENSTRGJ-VIFPVBQESA-N 0 3 237.303 0.528 20 0 BCADHN C[C@H]1CCCC[C@H]1N(C)C(=O)[C@@H](N)CN(C)C ZINC000876874677 590252409 /nfs/dbraw/zinc/25/24/09/590252409.db2.gz JEGSCXHRSDYHQM-SDDRHHMPSA-N 0 3 241.379 0.912 20 0 BCADHN CC(C)[C@H](C)N(C(=O)[C@@H](N)CN(C)C)C1CC1 ZINC000876874274 590252570 /nfs/dbraw/zinc/25/25/70/590252570.db2.gz CHXKYOLICQQLIJ-JQWIXIFHSA-N 0 3 241.379 0.911 20 0 BCADHN Cc1ccc2c(c1)CCN2C(=O)[C@@H](N)CN(C)C ZINC000876883816 590253596 /nfs/dbraw/zinc/25/35/96/590253596.db2.gz CBEGXJXUVNXEQF-LBPRGKRZSA-N 0 3 247.342 0.773 20 0 BCADHN CCn1nncc1CNC(=O)[C@H](C)NC1CC1 ZINC000876987725 590264944 /nfs/dbraw/zinc/26/49/44/590264944.db2.gz HEPMWKQUUBHRTD-QMMMGPOBSA-N 0 3 237.307 0.055 20 0 BCADHN CCn1ncc(CNC(=O)[C@H]2CCCCN2)n1 ZINC000876989659 590265736 /nfs/dbraw/zinc/26/57/36/590265736.db2.gz BKRKJPXMAAXONP-SNVBAGLBSA-N 0 3 237.307 0.056 20 0 BCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1cnn(CC)n1 ZINC000876990036 590265842 /nfs/dbraw/zinc/26/58/42/590265842.db2.gz NYHVLJLBBNYLNE-SCZZXKLOSA-N 0 3 239.323 0.288 20 0 BCADHN O=C(NCC[C@H]1CCCOC1)[C@@]1(F)CCNC1 ZINC000876990690 590266324 /nfs/dbraw/zinc/26/63/24/590266324.db2.gz MASDDZOCIHRKJC-ZYHUDNBSSA-N 0 3 244.310 0.621 20 0 BCADHN COC(=O)C1=CC[C@@H](NC(=O)CNC2CC2)C1 ZINC000877001955 590268017 /nfs/dbraw/zinc/26/80/17/590268017.db2.gz LYUQFMKZVGBAGU-SNVBAGLBSA-N 0 3 238.287 0.116 20 0 BCADHN O=C(Nc1cnn(CCF)c1)[C@]1(F)CCNC1 ZINC000877013014 590268900 /nfs/dbraw/zinc/26/89/00/590268900.db2.gz IXPHPPWEHIHWCL-JTQLQIEISA-N 0 3 244.245 0.493 20 0 BCADHN CCOC(=O)C1=CC[C@H](NC(=O)[C@@H](C)N)C1 ZINC000877028073 590271416 /nfs/dbraw/zinc/27/14/16/590271416.db2.gz SKGAOKMSOWNULR-APPZFPTMSA-N 0 3 226.276 0.102 20 0 BCADHN O=C(N1CCC(F)(F)CC1)[C@@]1(F)CCNC1 ZINC000877033698 590271978 /nfs/dbraw/zinc/27/19/78/590271978.db2.gz KPQMVXGGKHWOFP-SECBINFHSA-N 0 3 236.237 0.946 20 0 BCADHN OC[C@H](NCc1ccc(Cl)nn1)C1CC1 ZINC000877044827 590274137 /nfs/dbraw/zinc/27/41/37/590274137.db2.gz IUKBMJKIIZEUAG-VIFPVBQESA-N 0 3 227.695 0.991 20 0 BCADHN CO[C@@H](CNC[C@@H](O)c1cnn(C)c1)C1CC1 ZINC000877071799 590277585 /nfs/dbraw/zinc/27/75/85/590277585.db2.gz CFQAWMBXGGEUNN-NEPJUHHUSA-N 0 3 239.319 0.468 20 0 BCADHN CO[C@@H](CNC[C@H](O)c1cnn(C)c1)C1CC1 ZINC000877071801 590277687 /nfs/dbraw/zinc/27/76/87/590277687.db2.gz CFQAWMBXGGEUNN-RYUDHWBXSA-N 0 3 239.319 0.468 20 0 BCADHN COC(=O)N1CC(NC[C@H](OC)C2CC2)C1 ZINC000877097343 590282216 /nfs/dbraw/zinc/28/22/16/590282216.db2.gz BGZRABOLUKZVAK-JTQLQIEISA-N 0 3 228.292 0.452 20 0 BCADHN COC(=O)N1CC(N[C@H]2CS[C@H](C)C2)C1 ZINC000877098663 590282432 /nfs/dbraw/zinc/28/24/32/590282432.db2.gz UVSXQLWBKJGUMV-HTQZYQBOSA-N 0 3 230.333 0.921 20 0 BCADHN COC(=O)N1CC(N[C@@H]2CS[C@@H](C)C2)C1 ZINC000877098667 590282497 /nfs/dbraw/zinc/28/24/97/590282497.db2.gz UVSXQLWBKJGUMV-YUMQZZPRSA-N 0 3 230.333 0.921 20 0 BCADHN CO[C@H](CNCC1(C)OCCO1)[C@@H]1CCOC1 ZINC000877117903 590288275 /nfs/dbraw/zinc/28/82/75/590288275.db2.gz CVBPCJWMNGSDFR-GHMZBOCLSA-N 0 3 245.319 0.391 20 0 BCADHN O=C(NCC[C@@H]1CCSC1)[C@@]1(F)CCNC1 ZINC000877123576 590289517 /nfs/dbraw/zinc/28/95/17/590289517.db2.gz ZWWRXUIKZSPXAB-MWLCHTKSSA-N 0 3 246.351 0.947 20 0 BCADHN NC[C@@H]1CC(C(=O)N[C@@H]2CCCC23CC3)=NO1 ZINC000877131674 590290450 /nfs/dbraw/zinc/29/04/50/590290450.db2.gz HOSQZJVZENGOJK-WCBMZHEXSA-N 0 3 237.303 0.539 20 0 BCADHN CCNCC(=O)Nc1cncc(N(C)C)c1 ZINC000877142455 590291749 /nfs/dbraw/zinc/29/17/49/590291749.db2.gz QCQGKLJOOROIMA-UHFFFAOYSA-N 0 3 222.292 0.696 20 0 BCADHN Cc1nocc1NC(=O)NCCN(C)C ZINC000888737577 590296659 /nfs/dbraw/zinc/29/66/59/590296659.db2.gz QKEMGRUANJUXKN-UHFFFAOYSA-N 0 3 212.253 0.666 20 0 BCADHN CN(Cc1ncc[nH]1)C(=O)[C@]1(F)CCNC1 ZINC000877232875 590301951 /nfs/dbraw/zinc/30/19/51/590301951.db2.gz FLGVDSDPXDNWLI-JTQLQIEISA-N 0 3 226.255 0.070 20 0 BCADHN CC1(C)C[C@H](O)CN(C(=O)[C@H]2CCCCN2)C1 ZINC000877249609 590303508 /nfs/dbraw/zinc/30/35/08/590303508.db2.gz 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224.304 0.552 20 0 BCADHN CCN[C@@H](C)C(=O)NCCC[C@@H]1CCOC1=O ZINC000877311420 590313531 /nfs/dbraw/zinc/31/35/31/590313531.db2.gz IJVKHSLCJFXHEE-VHSXEESVSA-N 0 3 242.319 0.444 20 0 BCADHN CC(C)(N)C(=O)NCc1cc(N)cc(F)c1 ZINC000877325894 590317131 /nfs/dbraw/zinc/31/71/31/590317131.db2.gz MZOAPYAEAHXIJI-UHFFFAOYSA-N 0 3 225.267 0.761 20 0 BCADHN C[C@H]1CN(C(=O)CN)CC[C@H](C(F)(F)F)O1 ZINC000877383289 590320659 /nfs/dbraw/zinc/32/06/59/590320659.db2.gz FKASZEZZGYQLAX-NKWVEPMBSA-N 0 3 240.225 0.513 20 0 BCADHN CCNCC(=O)N[C@@H](C)c1nccnc1C ZINC000877431856 590325904 /nfs/dbraw/zinc/32/59/04/590325904.db2.gz NRFAAERNMTVHER-VIFPVBQESA-N 0 3 222.292 0.572 20 0 BCADHN CC[C@H](N)C(=O)N[C@H](C)c1nccnc1C ZINC000877431435 590325947 /nfs/dbraw/zinc/32/59/47/590325947.db2.gz FZQRGZYHTCNJTD-BDAKNGLRSA-N 0 3 222.292 0.700 20 0 BCADHN CC[C@@H](N)C(=O)N(C)C1(COC)CCC1 ZINC000877453749 590329557 /nfs/dbraw/zinc/32/95/57/590329557.db2.gz GWMBYSDGJOTFKB-SECBINFHSA-N 0 3 214.309 0.751 20 0 BCADHN CN(C)CCN(C)Cc1cnc2c(cnn2C)c1 ZINC000877523967 590346433 /nfs/dbraw/zinc/34/64/33/590346433.db2.gz OPNMZBUEQYBZIN-UHFFFAOYSA-N 0 3 247.346 0.962 20 0 BCADHN COC(=O)[C@H]1[C@@H]2CN(CCC[C@H]3CCO3)C[C@@H]21 ZINC000877546233 590352593 /nfs/dbraw/zinc/35/25/93/590352593.db2.gz IBLDQMRVMCMVST-NNYUYHANSA-N 0 3 239.315 0.906 20 0 BCADHN CC[C@@H](C)[C@@H](CN1CC(C(=O)NC)C1)OC ZINC000877581884 590365937 /nfs/dbraw/zinc/36/59/37/590365937.db2.gz XIWCEKCBKAHPEX-MWLCHTKSSA-N 0 3 228.336 0.725 20 0 BCADHN CCN(OC)C(=O)CN[C@H](C)[C@@H]1CCCCO1 ZINC000877606538 590372063 /nfs/dbraw/zinc/37/20/63/590372063.db2.gz DNXLNQXZAXNZOA-MNOVXSKESA-N 0 3 244.335 0.944 20 0 BCADHN CCC[C@H](CNCC(=O)N(CC)OC)OC ZINC000877606862 590372082 /nfs/dbraw/zinc/37/20/82/590372082.db2.gz NFVFQBOJVYTHSJ-SNVBAGLBSA-N 0 3 232.324 0.801 20 0 BCADHN CCON(C)C(=O)CN[C@@H]1CS[C@@H](C)C1 ZINC000877612962 590372299 /nfs/dbraw/zinc/37/22/99/590372299.db2.gz ZQDFYEREMZBWFZ-IUCAKERBSA-N 0 3 232.349 0.880 20 0 BCADHN CC[C@@](C)(CN[C@H](C)C(=O)N(C)OC)OC ZINC000877661284 590386945 /nfs/dbraw/zinc/38/69/45/590386945.db2.gz YGERINUSIUZZMQ-KOLCDFICSA-N 0 3 232.324 0.799 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@@H]1CS[C@@H](C)C1 ZINC000877660330 590386961 /nfs/dbraw/zinc/38/69/61/590386961.db2.gz LUGWEOPQOGNUMH-CIUDSAMLSA-N 0 3 232.349 0.878 20 0 BCADHN CON(C)C(=O)[C@H](C)N[C@H]1CS[C@@H](C)C1 ZINC000877660412 590387151 /nfs/dbraw/zinc/38/71/51/590387151.db2.gz LUGWEOPQOGNUMH-XHNCKOQMSA-N 0 3 232.349 0.878 20 0 BCADHN OC[C@H]1C[C@@H](NCc2ccc(Cl)nn2)C1 ZINC000877666411 590388541 /nfs/dbraw/zinc/38/85/41/590388541.db2.gz AQAFUNNLOMIHJY-OTSSQURYSA-N 0 3 227.695 0.991 20 0 BCADHN COC(=O)C1CC(NCc2cnc(C)n2C)C1 ZINC000877722969 590401779 /nfs/dbraw/zinc/40/17/79/590401779.db2.gz AJRAKSQZAQQBHL-UHFFFAOYSA-N 0 3 237.303 0.770 20 0 BCADHN COC(=O)C(C)(C)CCN1CC[C@@H](O)[C@@H](O)C1 ZINC000877749369 590412708 /nfs/dbraw/zinc/41/27/08/590412708.db2.gz IYRHVHYFOMPXDA-ZJUUUORDSA-N 0 3 245.319 0.003 20 0 BCADHN CCOC1CC(CN2CC[C@@H](O)[C@@H](O)C2)C1 ZINC000877749169 590413256 /nfs/dbraw/zinc/41/32/56/590413256.db2.gz IIEHVLFNXJVBOW-HCWSGVFWSA-N 0 3 229.320 0.229 20 0 BCADHN O[C@@H]1CCN(C[C@@H]2CCC=CO2)C[C@@H]1O ZINC000877748899 590413416 /nfs/dbraw/zinc/41/34/16/590413416.db2.gz DQYBYGFQHKHWLC-AXFHLTTASA-N 0 3 213.277 0.107 20 0 BCADHN OCC1(CO)CCN(C[C@@H]2CCC=CO2)CC1 ZINC000877798305 590425122 /nfs/dbraw/zinc/42/51/22/590425122.db2.gz MHOSTRVBANCBBZ-LBPRGKRZSA-N 0 3 241.331 0.746 20 0 BCADHN CN(CCS(N)(=O)=O)CC1(C)CCCC1 ZINC000877826216 590428236 /nfs/dbraw/zinc/42/82/36/590428236.db2.gz UHPSYMOPVKGXGK-UHFFFAOYSA-N 0 3 234.365 0.787 20 0 BCADHN CCC[C@H](C)CN(C)CCS(N)(=O)=O ZINC000877827242 590428812 /nfs/dbraw/zinc/42/88/12/590428812.db2.gz QGEDCYUGLBXHFI-VIFPVBQESA-N 0 3 222.354 0.643 20 0 BCADHN C[C@@H](CN1C(=O)NC2(CCCC2)C1=O)N(C)C ZINC000877873462 590434659 /nfs/dbraw/zinc/43/46/59/590434659.db2.gz PZUJVNPKVSCYAL-VIFPVBQESA-N 0 3 239.319 0.801 20 0 BCADHN C[C@@H](CN1C(=O)[C@@H]2CCCN2C1=O)N(C)C ZINC000877875692 590434973 /nfs/dbraw/zinc/43/49/73/590434973.db2.gz YGXBBZVTQSPJIG-IUCAKERBSA-N 0 3 225.292 0.363 20 0 BCADHN C=C/C=C/CCN1C(C)C(=O)N(C)S1(=O)=O ZINC000877889676 590440321 /nfs/dbraw/zinc/44/03/21/590440321.db2.gz KSVDIEXDDURREL-VUHVRTRXSA-N 0 3 244.316 0.526 20 0 BCADHN CCCCN(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877901045 590442052 /nfs/dbraw/zinc/44/20/52/590442052.db2.gz QYHITAAOOQTOGR-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN CCCCN(C)CC(=O)NC1CCN(C)CC1 ZINC000877901045 590442054 /nfs/dbraw/zinc/44/20/54/590442054.db2.gz QYHITAAOOQTOGR-UHFFFAOYSA-N 0 3 241.379 0.929 20 0 BCADHN CN(CCc1nnnn1C)Cc1ccsc1 ZINC000877921954 590448120 /nfs/dbraw/zinc/44/81/20/590448120.db2.gz QYJPTOJWZGPNOV-UHFFFAOYSA-N 0 3 237.332 0.946 20 0 BCADHN CC(C)[C@H](O)CCN(CC(N)=O)C(C)C ZINC000877922619 590448240 /nfs/dbraw/zinc/44/82/40/590448240.db2.gz FDXALZFJXKRUQJ-SNVBAGLBSA-N 0 3 216.325 0.589 20 0 BCADHN C[C@H]1CCCCN1CCc1nnnn1C ZINC000877934313 590450755 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CMMOAKBWUTVQOV-LLVKDONJSA-N 0 3 231.336 0.213 20 0 BCADHN CC(C)CN(CC[C@@H](O)C(C)C)CC(N)=O ZINC000877958812 590458785 /nfs/dbraw/zinc/45/87/85/590458785.db2.gz XTUVZAUOFUABLP-LLVKDONJSA-N 0 3 230.352 0.837 20 0 BCADHN CC(C)(O)C[C@@H](O)CN1CCCC[C@@H]1CO ZINC000877963889 590460433 /nfs/dbraw/zinc/46/04/33/590460433.db2.gz SAZVGTMJQQNAGT-GHMZBOCLSA-N 0 3 231.336 0.355 20 0 BCADHN CCOC1CCN(CCc2nnnn2C)CC1 ZINC000877988802 590466950 /nfs/dbraw/zinc/46/69/50/590466950.db2.gz NWJUIJWBSWNWIR-UHFFFAOYSA-N 0 3 239.323 0.254 20 0 BCADHN CN(CCc1nnnn1C)C[C@@H]1CCCCO1 ZINC000877990015 590467005 /nfs/dbraw/zinc/46/70/05/590467005.db2.gz LOURKCWTUVFBCO-JTQLQIEISA-N 0 3 239.323 0.254 20 0 BCADHN CCN1CCC[C@H]1CNC(=O)COC1CC1 ZINC000878021352 590472923 /nfs/dbraw/zinc/47/29/23/590472923.db2.gz DQIDTWSIFLIJIF-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)O)CCCO1 ZINC000878042290 590475693 /nfs/dbraw/zinc/47/56/93/590475693.db2.gz WSJPDWKOLMJTKC-MNOVXSKESA-N 0 3 231.336 0.619 20 0 BCADHN CNC(=O)[C@H]1CCCCN1CC[C@H](O)C(C)C ZINC000878034363 590476336 /nfs/dbraw/zinc/47/63/36/590476336.db2.gz DJSHRIGTQHELON-NEPJUHHUSA-N 0 3 242.363 0.994 20 0 BCADHN Cc1ncsc1CNCC[S@@](C)=O ZINC000126866689 590476814 /nfs/dbraw/zinc/47/68/14/590476814.db2.gz HSPWCCGDVIXPCG-ZDUSSCGKSA-N 0 3 218.347 0.920 20 0 BCADHN O=C1CCN(C[C@H]2CCC3(CCC3)O2)CCN1 ZINC000878049257 590481087 /nfs/dbraw/zinc/48/10/87/590481087.db2.gz IDQLXRMVTJFBNO-LLVKDONJSA-N 0 3 238.331 0.910 20 0 BCADHN O=C1CCN(C[C@H]2CC3(CCC3)CO2)CCN1 ZINC000878049641 590482826 /nfs/dbraw/zinc/48/28/26/590482826.db2.gz KSSPLCIXYWLXPL-LLVKDONJSA-N 0 3 238.331 0.768 20 0 BCADHN CCCCN(CCOC)CCc1nnnn1C ZINC000878092241 590491073 /nfs/dbraw/zinc/49/10/73/590491073.db2.gz QHIJWZOGSWPOLH-UHFFFAOYSA-N 0 3 241.339 0.501 20 0 BCADHN CN(CCn1cccn1)C[C@H](O)CC(C)(C)O ZINC000878096621 590492891 /nfs/dbraw/zinc/49/28/91/590492891.db2.gz VULLQXHEWXHZBR-LLVKDONJSA-N 0 3 241.335 0.337 20 0 BCADHN CCOC[C@@H]1CCCN(CCn2cnnn2)C1 ZINC000878106208 590494733 /nfs/dbraw/zinc/49/47/33/590494733.db2.gz FLSOELXXDIYWTR-LLVKDONJSA-N 0 3 239.323 0.422 20 0 BCADHN C[C@@H]1OCC[C@H]1CN1CCNC(=O)C1(C)C ZINC000878107718 590496055 /nfs/dbraw/zinc/49/60/55/590496055.db2.gz VRAJUMBBEKUTOV-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN C=C/C=C/CCN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000878112878 590496917 /nfs/dbraw/zinc/49/69/17/590496917.db2.gz XFCAHNOXJBUPQT-SGUJLRQBSA-N 0 3 244.360 0.742 20 0 BCADHN CCO[C@@H]1CCCN(CCn2cnnn2)C1 ZINC000878117953 590497784 /nfs/dbraw/zinc/49/77/84/590497784.db2.gz AEOXBXVDONKHBC-SNVBAGLBSA-N 0 3 225.296 0.174 20 0 BCADHN C[C@@H]1[C@H](C)SCCN1CCc1nnnn1C ZINC000878114354 590498509 /nfs/dbraw/zinc/49/85/09/590498509.db2.gz JBSFZTGSFYKMIG-BDAKNGLRSA-N 0 3 241.364 0.578 20 0 BCADHN C[C@H]1CN(CCn2cnnn2)C[C@H](C)S1 ZINC000878137042 590504471 /nfs/dbraw/zinc/50/44/71/590504471.db2.gz NDXUBVKRZGERTD-IUCAKERBSA-N 0 3 227.337 0.499 20 0 BCADHN C[C@@H]1CN(CCc2nnnn2C)C[C@H](C)S1 ZINC000878137348 590504557 /nfs/dbraw/zinc/50/45/57/590504557.db2.gz SRKAYDGBJFGMSN-DTORHVGOSA-N 0 3 241.364 0.578 20 0 BCADHN COC(=O)[C@]1(F)CCN(C[C@H]2CCO[C@@H]2C)C1 ZINC000878155513 590509110 /nfs/dbraw/zinc/50/91/10/590509110.db2.gz HUFXURVGFRTTLG-FOGDFJRCSA-N 0 3 245.294 0.998 20 0 BCADHN c1nnnn1CCN1CCC[C@H]2COCC[C@H]21 ZINC000878185058 590518806 /nfs/dbraw/zinc/51/88/06/590518806.db2.gz FHCRUTHTBOWDHC-WDEREUQCSA-N 0 3 237.307 0.174 20 0 BCADHN C[C@@H]1OCC[C@@H]1CN1CCN2C(=O)OC[C@H]2C1 ZINC000878195533 590522178 /nfs/dbraw/zinc/52/21/78/590522178.db2.gz RZUVLOHJGYHNCF-HBNTYKKESA-N 0 3 240.303 0.548 20 0 BCADHN NC(=O)C1(NCCc2cnccn2)CCCC1 ZINC000878256761 590530743 /nfs/dbraw/zinc/53/07/43/590530743.db2.gz XIRXBRRRMRZCEV-UHFFFAOYSA-N 0 3 234.303 0.407 20 0 BCADHN C[C@@H]1COCCN(C[C@H](O)CC(C)(C)O)C1 ZINC000878299684 590533125 /nfs/dbraw/zinc/53/31/25/590533125.db2.gz XTGUEHYHNXORIT-WDEREUQCSA-N 0 3 231.336 0.477 20 0 BCADHN C[C@H]1COCCCN1C[C@@H](O)CC(C)(C)O ZINC000878286712 590534599 /nfs/dbraw/zinc/53/45/99/590534599.db2.gz RSCQUXQFAOCPII-QWRGUYRKSA-N 0 3 231.336 0.619 20 0 BCADHN c1nnnn1CCN1[C@H]2C=CC[C@@H]1CC2 ZINC000878294371 590534941 /nfs/dbraw/zinc/53/49/41/590534941.db2.gz IRSZMQGKRMRDBE-VHSXEESVSA-N 0 3 205.265 0.466 20 0 BCADHN C[C@H]1COCCN(CCc2cncn2C)C1 ZINC000878299442 590537621 /nfs/dbraw/zinc/53/76/21/590537621.db2.gz UBXDKAZDMNRVHU-LLVKDONJSA-N 0 3 223.320 0.931 20 0 BCADHN COCC1(O)CCN(CC[C@H](O)C(C)C)CC1 ZINC000878306045 590538820 /nfs/dbraw/zinc/53/88/20/590538820.db2.gz QGACOGXTMNEMKQ-LBPRGKRZSA-N 0 3 245.363 0.867 20 0 BCADHN CC(C)[C@@H](O)CCN1CCNC(=O)C[C@@H]1C ZINC000878317359 590542990 /nfs/dbraw/zinc/54/29/90/590542990.db2.gz PTBAYMXPYVZFLO-QWRGUYRKSA-N 0 3 228.336 0.604 20 0 BCADHN CO[C@H]1C[C@@H](CN2CC[C@@H](NC(N)=O)C2)C1 ZINC000878324195 590546222 /nfs/dbraw/zinc/54/62/22/590546222.db2.gz HRPPRKFEAYCKGQ-BBBLOLIVSA-N 0 3 227.308 0.154 20 0 BCADHN C=C/C=C\CCN1CC[C@H](NC(N)=O)C1 ZINC000878326448 590546278 /nfs/dbraw/zinc/54/62/78/590546278.db2.gz VBWJKUBNTQJCTL-XOULXFPDSA-N 0 3 209.293 0.861 20 0 BCADHN NC(=O)N[C@H]1CCN(CCCC2CC2)C1 ZINC000878325771 590546407 /nfs/dbraw/zinc/54/64/07/590546407.db2.gz RBVIOHBDDRFPBU-JTQLQIEISA-N 0 3 211.309 0.919 20 0 BCADHN CN1CCN(C[C@H](O)CC(C)(C)O)C(C)(C)C1 ZINC000878328133 590547537 /nfs/dbraw/zinc/54/75/37/590547537.db2.gz BNYNBXCYLVLLRQ-LLVKDONJSA-N 0 3 244.379 0.534 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@H](O)[C@@H](C)C1 ZINC000878335942 590549626 /nfs/dbraw/zinc/54/96/26/590549626.db2.gz SDULVDZERPAIST-DCAQKATOSA-N 0 3 217.309 0.085 20 0 BCADHN CC(C)OC[C@@H](O)CN1C[C@@H](C)[C@H](O)C1 ZINC000878335945 590549833 /nfs/dbraw/zinc/54/98/33/590549833.db2.gz SDULVDZERPAIST-OUAUKWLOSA-N 0 3 217.309 0.085 20 0 BCADHN CC[C@@H](C)[C@@H](C)NCc1nnc2c(=O)[nH]ccn12 ZINC000878366410 590554604 /nfs/dbraw/zinc/55/46/04/590554604.db2.gz NIQILVZPWIXRDA-RKDXNWHRSA-N 0 3 249.318 0.942 20 0 BCADHN C[C@@H]1CCOCCN1C[C@@H](O)CC(C)(C)O ZINC000878374877 590555695 /nfs/dbraw/zinc/55/56/95/590555695.db2.gz YEBQWPSFFRUFGD-MNOVXSKESA-N 0 3 231.336 0.619 20 0 BCADHN C[C@H]1CCOCCN1C[C@@H]1CCc2ncnn21 ZINC000878374327 590555841 /nfs/dbraw/zinc/55/58/41/590555841.db2.gz SIVSYCAUNXTOQI-QWRGUYRKSA-N 0 3 236.319 0.876 20 0 BCADHN NC(=O)C1(NC[C@H]2CC3(CCC3)CO2)CC1 ZINC000878386449 590558876 /nfs/dbraw/zinc/55/88/76/590558876.db2.gz ZCGWORUITNLDKA-SECBINFHSA-N 0 3 224.304 0.553 20 0 BCADHN NC(=O)C1(NC[C@@H]2CC3(CCC3)CO2)CC1 ZINC000878386450 590559014 /nfs/dbraw/zinc/55/90/14/590559014.db2.gz ZCGWORUITNLDKA-VIFPVBQESA-N 0 3 224.304 0.553 20 0 BCADHN CO[C@H]1C[C@@H](CN2CCN3CCOC[C@@H]3C2)C1 ZINC000878430017 590566210 /nfs/dbraw/zinc/56/62/10/590566210.db2.gz UPUJAENVOSUYGB-RWMBFGLXSA-N 0 3 240.347 0.428 20 0 BCADHN C[C@@H]1CN(C[C@H](O)CC(C)(C)O)CC[C@@H]1O ZINC000878464018 590571657 /nfs/dbraw/zinc/57/16/57/590571657.db2.gz NJKMLDKYQAUKDU-MXWKQRLJSA-N 0 3 231.336 0.211 20 0 BCADHN CC(C)OC[C@@H](O)CN1CC[C@@H](O)[C@H](C)C1 ZINC000878464529 590572176 /nfs/dbraw/zinc/57/21/76/590572176.db2.gz ZVMRZTBXAOKHBU-GRYCIOLGSA-N 0 3 231.336 0.475 20 0 BCADHN CO[C@@H]1CN(CC[C@H](O)C(C)C)C[C@@H]1OC ZINC000878505807 590581218 /nfs/dbraw/zinc/58/12/18/590581218.db2.gz TYKKVRSBBRBXIF-SDDRHHMPSA-N 0 3 231.336 0.739 20 0 BCADHN c1nnnn1CCN1CC[C@@H](c2ccccn2)C1 ZINC000878554031 590591626 /nfs/dbraw/zinc/59/16/26/590591626.db2.gz VZHJXQPTJFPMRF-LLVKDONJSA-N 0 3 244.302 0.558 20 0 BCADHN COCC(C)(C)N(C)CCn1cnnn1 ZINC000878643007 590600842 /nfs/dbraw/zinc/60/08/42/590600842.db2.gz AKRAEUBOIXMQTN-UHFFFAOYSA-N 0 3 213.285 0.030 20 0 BCADHN CC(C)[C@H](O)CCN(C)[C@H]1CCC(=O)N(C)C1 ZINC000878645917 590601397 /nfs/dbraw/zinc/60/13/97/590601397.db2.gz PKKKAEAXCHMWBV-NWDGAFQWSA-N 0 3 242.363 0.946 20 0 BCADHN CC[C@H]1CN(C)CCN1C[C@@H](O)CC(C)(C)O ZINC000878655989 590603090 /nfs/dbraw/zinc/60/30/90/590603090.db2.gz DYVFLEHRPWTASF-RYUDHWBXSA-N 0 3 244.379 0.534 20 0 BCADHN COC[C@@]1(C)CCN(CCn2cnnn2)C1 ZINC000878663795 590605369 /nfs/dbraw/zinc/60/53/69/590605369.db2.gz QKYUMMOAXSMEDZ-JTQLQIEISA-N 0 3 225.296 0.032 20 0 BCADHN COC[C@@]1(C)CCN(CCN2CCOC2=O)C1 ZINC000878663755 590605374 /nfs/dbraw/zinc/60/53/74/590605374.db2.gz PKZSGVWMKBPZJM-LBPRGKRZSA-N 0 3 242.319 0.797 20 0 BCADHN CN(CCn1cnnn1)[C@H](CO)CC(C)(C)C ZINC000878682871 590609261 /nfs/dbraw/zinc/60/92/61/590609261.db2.gz PCRJVAJYNLWYJS-JTQLQIEISA-N 0 3 241.339 0.402 20 0 BCADHN C[C@@H]1[C@H](O)CCN1C[C@H](O)CC1(O)CCCC1 ZINC000878685595 590609533 /nfs/dbraw/zinc/60/95/33/590609533.db2.gz XCTJLVCUIOPFJZ-IJLUTSLNSA-N 0 3 243.347 0.498 20 0 BCADHN CCO[C@@H]1COC[C@H]1NCC[C@@H](O)C(C)C ZINC000878689003 590609895 /nfs/dbraw/zinc/60/98/95/590609895.db2.gz XUZRDOPWIZIGTB-IJLUTSLNSA-N 0 3 231.336 0.787 20 0 BCADHN CC(C)[C@@H](O)CCN1CCN(CCO)C[C@H]1C ZINC000878695835 590610888 /nfs/dbraw/zinc/61/08/88/590610888.db2.gz ZJSBLBSBDHRYFU-OLZOCXBDSA-N 0 3 244.379 0.392 20 0 BCADHN CC(C)[C@H](O)CCN1CCN(CCO)C[C@H]1C ZINC000878695833 590611133 /nfs/dbraw/zinc/61/11/33/590611133.db2.gz ZJSBLBSBDHRYFU-CHWSQXEVSA-N 0 3 244.379 0.392 20 0 BCADHN CC(C)[C@@H](O)CCN1CCN(CCO)C[C@@H]1C ZINC000878695838 590611220 /nfs/dbraw/zinc/61/12/20/590611220.db2.gz ZJSBLBSBDHRYFU-STQMWFEESA-N 0 3 244.379 0.392 20 0 BCADHN Cn1nccc1CNC1(CO)CCSCC1 ZINC000878701880 590611893 /nfs/dbraw/zinc/61/18/93/590611893.db2.gz CUVKGNLHRMEKKI-UHFFFAOYSA-N 0 3 241.360 0.768 20 0 BCADHN CN(C)C(=O)[C@@H]1CCN(Cc2cnc[nH]2)C1 ZINC000878710009 590613964 /nfs/dbraw/zinc/61/39/64/590613964.db2.gz ZIPQIEUVEDOQNN-SECBINFHSA-N 0 3 222.292 0.320 20 0 BCADHN Cn1nccc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000878712827 590614646 /nfs/dbraw/zinc/61/46/46/590614646.db2.gz UUYIDXGAUBAMFQ-CMPLNLGQSA-N 0 3 239.319 0.297 20 0 BCADHN C[C@@H]1C[C@H](CO)CN(Cc2cnc[nH]2)C1 ZINC000878720662 590615757 /nfs/dbraw/zinc/61/57/57/590615757.db2.gz QRGQUYDXHYSIFC-ZJUUUORDSA-N 0 3 209.293 0.860 20 0 BCADHN CC(=O)NCCN(C)CCCOC(F)(F)F ZINC000878762568 590619857 /nfs/dbraw/zinc/61/98/57/590619857.db2.gz FPBKLLCZJOMLTG-UHFFFAOYSA-N 0 3 242.241 0.981 20 0 BCADHN C=C/C=C/CCN1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000878770440 590620737 /nfs/dbraw/zinc/62/07/37/590620737.db2.gz PFPFBRVUXGWPOT-RUULKOMLSA-N 0 3 239.315 0.975 20 0 BCADHN FC1(F)C[C@@]12CCN(CCn1cnnn1)C2 ZINC000878813503 590627102 /nfs/dbraw/zinc/62/71/02/590627102.db2.gz LEKVYOSTCCBXPE-MRVPVSSYSA-N 0 3 229.234 0.404 20 0 BCADHN CN1CCN([C@@H]2CCOC2=O)C[C@@H]1C(C)(C)C ZINC000878842372 590632107 /nfs/dbraw/zinc/63/21/07/590632107.db2.gz PSMQRWIWNFOTJR-GHMZBOCLSA-N 0 3 240.347 0.964 20 0 BCADHN NC(=O)[C@]1(NCC2CC3(CCC3)C2)CCOC1 ZINC000878844966 590632135 /nfs/dbraw/zinc/63/21/35/590632135.db2.gz BBPQXAJMCJIEGT-ZDUSSCGKSA-N 0 3 238.331 0.801 20 0 BCADHN C=C/C=C\CCN[C@@]1(C(N)=O)CCOC1 ZINC000878847725 590632866 /nfs/dbraw/zinc/63/28/66/590632866.db2.gz VWSMUKFYLPXIHP-BYCRGOAPSA-N 0 3 210.277 0.353 20 0 BCADHN OC[C@@H]1CC[C@@H](CO)N1C/C=C/Cl ZINC000878883503 590639675 /nfs/dbraw/zinc/63/96/75/590639675.db2.gz XNBXSOMRKDVINB-JOWNYMRCSA-N 0 3 205.685 0.557 20 0 BCADHN CN(C(=O)COC1CC1)[C@H]1CCCN(C)C1 ZINC000878964752 590661797 /nfs/dbraw/zinc/66/17/97/590661797.db2.gz FCUQLYAGHYCBFY-JTQLQIEISA-N 0 3 226.320 0.718 20 0 BCADHN CCS(=O)(=O)CCN[C@H](C)CSC ZINC000127487683 590681407 /nfs/dbraw/zinc/68/14/07/590681407.db2.gz WUWQYHRVXUGMIF-MRVPVSSYSA-N 0 3 225.379 0.762 20 0 BCADHN COC[C@@H](C)N1CCC([C@@H](F)C(N)=O)CC1 ZINC000879041886 590685022 /nfs/dbraw/zinc/68/50/22/590685022.db2.gz TVLJUUPVPGCONL-PSASIEDQSA-N 0 3 232.299 0.557 20 0 BCADHN CCC[C@@H](O)CN1CCC([C@H](F)C(N)=O)CC1 ZINC000879045010 590685999 /nfs/dbraw/zinc/68/59/99/590685999.db2.gz UWLXTKDDMVISTB-MNOVXSKESA-N 0 3 246.326 0.683 20 0 BCADHN CC(C)OCCN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879042110 590686017 /nfs/dbraw/zinc/68/60/17/590686017.db2.gz NYYWHWYGQAECBH-LLVKDONJSA-N 0 3 246.326 0.947 20 0 BCADHN CCCN1CCC([C@H](F)C(N)=O)CC1 ZINC000879047844 590686885 /nfs/dbraw/zinc/68/68/85/590686885.db2.gz NCVHCDJFQFHBMY-VIFPVBQESA-N 0 3 202.273 0.932 20 0 BCADHN C[C@H]1C[C@H](NC(=O)COC2CC2)CN1C1CC1 ZINC000879120279 590699349 /nfs/dbraw/zinc/69/93/49/590699349.db2.gz ZUFVRXXAVRYTKI-UWVGGRQHSA-N 0 3 238.331 0.907 20 0 BCADHN COC(=O)[C@@]1(C)CN(CC[S@@](C)=O)C[C@@H]1C ZINC000879134077 590700360 /nfs/dbraw/zinc/70/03/60/590700360.db2.gz RQNDGJCCEIONJP-KJRLAJNESA-N 0 3 247.360 0.496 20 0 BCADHN COC(=O)[C@@]1(C)CN(CC[S@](C)=O)C[C@@H]1C ZINC000879134078 590700686 /nfs/dbraw/zinc/70/06/86/590700686.db2.gz RQNDGJCCEIONJP-QEKSWQHZSA-N 0 3 247.360 0.496 20 0 BCADHN COC(=O)[C@@H](C)CN(C)CC(OC)OC ZINC000127543872 590703014 /nfs/dbraw/zinc/70/30/14/590703014.db2.gz UWXFOKXKCKBOKS-QMMMGPOBSA-N 0 3 219.281 0.346 20 0 BCADHN Cc1cc(CNCCOCCO)c(C)o1 ZINC000127578802 590714460 /nfs/dbraw/zinc/71/44/60/590714460.db2.gz MCFGOJQQVVPJDD-UHFFFAOYSA-N 0 3 213.277 0.995 20 0 BCADHN COC(CN1C[C@@H](OC)C[C@]1(C)CO)OC ZINC000879261265 590724395 /nfs/dbraw/zinc/72/43/95/590724395.db2.gz HQUFNRBJTWMACX-GXSJLCMTSA-N 0 3 233.308 0.077 20 0 BCADHN CO[C@@H]1CC[C@@H](C)N(CC2OCCO2)C1 ZINC000879322427 590742470 /nfs/dbraw/zinc/74/24/70/590742470.db2.gz SUCAAMVHIYPPAI-NXEZZACHSA-N 0 3 215.293 0.859 20 0 BCADHN CO[C@@H]1CC[C@H](C)N(CC[S@@](C)=O)C1 ZINC000879326427 590745750 /nfs/dbraw/zinc/74/57/50/590745750.db2.gz REYVYNVOKOZCEL-IMSIIYSGSA-N 0 3 219.350 0.864 20 0 BCADHN CNC(=O)NC[C@@H]1CCCCN1CC[C@H](C)O ZINC000879333912 590748879 /nfs/dbraw/zinc/74/88/79/590748879.db2.gz GBKPJSVWXFVTED-QWRGUYRKSA-N 0 3 243.351 0.541 20 0 BCADHN CNC(=O)NC[C@@H]1CCCCN1CCC(C)=O ZINC000879335819 590749021 /nfs/dbraw/zinc/74/90/21/590749021.db2.gz WLERIIXHSDVYOJ-NSHDSACASA-N 0 3 241.335 0.749 20 0 BCADHN CC[C@@H](O)CN1CCCC[C@@H]1CNC(=O)NC ZINC000879335661 590749033 /nfs/dbraw/zinc/74/90/33/590749033.db2.gz VBQMGIWIHHPCQI-GHMZBOCLSA-N 0 3 243.351 0.541 20 0 BCADHN CCNC(=O)CN[C@](C)(CC(=O)OC)C1CC1 ZINC000879438516 590769643 /nfs/dbraw/zinc/76/96/43/590769643.db2.gz IUMKUQWVNCUNEV-GFCCVEGCSA-N 0 3 242.319 0.444 20 0 BCADHN COC(=O)C[C@@](C)(NCC(OC)OC)C1CC1 ZINC000879442403 590771914 /nfs/dbraw/zinc/77/19/14/590771914.db2.gz SJDZSILRPTXHCC-GFCCVEGCSA-N 0 3 245.319 0.927 20 0 BCADHN NC(=O)[C@@H](C1CC1)N(CCCO)CC1CC1 ZINC000879491081 590780986 /nfs/dbraw/zinc/78/09/86/590780986.db2.gz CPALZSXULSMCPN-LLVKDONJSA-N 0 3 226.320 0.345 20 0 BCADHN CN(C)CCN(C(=O)COC1CC1)C1CC1 ZINC000879528165 590789749 /nfs/dbraw/zinc/78/97/49/590789749.db2.gz NMBBKVAGEFQFFS-UHFFFAOYSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H](C(=O)NCCN1CCC[C@@H]1C)N(C)C ZINC000879537187 590796146 /nfs/dbraw/zinc/79/61/46/590796146.db2.gz UXMMVGYWCPQRQU-QWRGUYRKSA-N 0 3 227.352 0.537 20 0 BCADHN C[C@@H]1CCCN1CCNC(=O)COC1CC1 ZINC000879537127 590796941 /nfs/dbraw/zinc/79/69/41/590796941.db2.gz SFQFIFVDTOSGMW-SNVBAGLBSA-N 0 3 226.320 0.766 20 0 BCADHN C[C@@H](C(=O)NCCN1CCC[C@H]1C)N(C)C ZINC000879537186 590796968 /nfs/dbraw/zinc/79/69/68/590796968.db2.gz UXMMVGYWCPQRQU-MNOVXSKESA-N 0 3 227.352 0.537 20 0 BCADHN CNC(=O)CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879557724 590800576 /nfs/dbraw/zinc/80/05/76/590800576.db2.gz OTDXUSIRAVORHC-IUCAKERBSA-N 0 3 214.334 0.417 20 0 BCADHN c1n[nH]nc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879566146 590807772 /nfs/dbraw/zinc/80/77/72/590807772.db2.gz SHLYUPDGEMNFQD-IUCAKERBSA-N 0 3 224.333 0.990 20 0 BCADHN Cc1nccn1CCCN1CC[C@@H](O)[C@@H](O)C1 ZINC000879610290 590827649 /nfs/dbraw/zinc/82/76/49/590827649.db2.gz PAIWFWZDNRHXHK-NEPJUHHUSA-N 0 3 239.319 0.009 20 0 BCADHN CC(C)OC1CC(N2CC[C@@H](O)[C@@H](O)C2)C1 ZINC000879609417 590828366 /nfs/dbraw/zinc/82/83/66/590828366.db2.gz UZXFHABBSHEDPD-HCWSGVFWSA-N 0 3 229.320 0.370 20 0 BCADHN O[C@@H]1CCN(CCOCC2CCC2)C[C@@H]1O ZINC000879609312 590829105 /nfs/dbraw/zinc/82/91/05/590829105.db2.gz QPZJAFSEOHFZFL-NEPJUHHUSA-N 0 3 229.320 0.231 20 0 BCADHN CC[C@H](C(N)=O)N1C[C@H](O)CC(C)(C)C1 ZINC000879619099 590831700 /nfs/dbraw/zinc/83/17/00/590831700.db2.gz MTUITEDWKZIONM-RKDXNWHRSA-N 0 3 214.309 0.343 20 0 BCADHN CC1(C)C[C@H](O)CN(CC2(CO)COC2)C1 ZINC000879620956 590833754 /nfs/dbraw/zinc/83/37/54/590833754.db2.gz TVXAPGHMPBCCQE-JTQLQIEISA-N 0 3 229.320 0.088 20 0 BCADHN CCOC[C@@H](O)CN1C[C@@H](O)CC(C)(C)C1 ZINC000879619630 590833941 /nfs/dbraw/zinc/83/39/41/590833941.db2.gz YAFHCPLUYGEYDA-QWRGUYRKSA-N 0 3 231.336 0.477 20 0 BCADHN CC1(C)C[C@@H](O)CN(CCn2cccn2)C1 ZINC000879619643 590834337 /nfs/dbraw/zinc/83/43/37/590834337.db2.gz YNOVYZWCNJSMFT-LLVKDONJSA-N 0 3 223.320 0.976 20 0 BCADHN CN(C)C1(CNC(=O)Nc2cn(C)nn2)CC1 ZINC000879620891 590834803 /nfs/dbraw/zinc/83/48/03/590834803.db2.gz SANZHZFACCSKFC-UHFFFAOYSA-N 0 3 238.295 0.031 20 0 BCADHN CC1(C)C[C@H](O)CN(CCn2ccnc2)C1 ZINC000879622924 590836278 /nfs/dbraw/zinc/83/62/78/590836278.db2.gz PJBZIGZNBLISDY-NSHDSACASA-N 0 3 223.320 0.976 20 0 BCADHN CC1(C)C[C@H](O)CN(C[C@@H]2COCCO2)C1 ZINC000879624187 590837394 /nfs/dbraw/zinc/83/73/94/590837394.db2.gz OGYFWGNCCLLAOK-WDEREUQCSA-N 0 3 229.320 0.495 20 0 BCADHN CC(=O)[C@](C)(O)CN[C@H](C)c1ccnn1C ZINC000879686822 590848380 /nfs/dbraw/zinc/84/83/80/590848380.db2.gz JTBQLWYBUURWIF-LDYMZIIASA-N 0 3 225.292 0.411 20 0 BCADHN C[C@H](NCC[C@H]1CCNC1=O)c1ccnn1C ZINC000879686363 590848650 /nfs/dbraw/zinc/84/86/50/590848650.db2.gz BMNOXOMUEBXFLN-UWVGGRQHSA-N 0 3 236.319 0.597 20 0 BCADHN CCC(O)(CC)C(C)(C)NCC(N)=O ZINC000879696384 590850714 /nfs/dbraw/zinc/85/07/14/590850714.db2.gz DYMGBNCMZROOTN-UHFFFAOYSA-N 0 3 202.298 0.391 20 0 BCADHN CCC(O)(CC)C(C)(C)NCC(=O)N(C)OC ZINC000879697816 590851733 /nfs/dbraw/zinc/85/17/33/590851733.db2.gz JZNNGEZPXOKMRE-UHFFFAOYSA-N 0 3 246.351 0.926 20 0 BCADHN O=C1NCCO[C@@H]2CCCN(CCC3CC3)[C@H]12 ZINC000879720737 590855008 /nfs/dbraw/zinc/85/50/08/590855008.db2.gz ZUNWBXVBINGTLX-NEPJUHHUSA-N 0 3 238.331 0.766 20 0 BCADHN C[C@]1(C(F)(F)F)CCN(CCn2cnnn2)C1 ZINC000880005179 590908262 /nfs/dbraw/zinc/90/82/62/590908262.db2.gz SGFCDUHYTINTRT-QMMMGPOBSA-N 0 3 249.240 0.947 20 0 BCADHN CN(CCS(N)(=O)=O)CC1CC=CC1 ZINC000880085946 590921652 /nfs/dbraw/zinc/92/16/52/590921652.db2.gz YCDYINCGAANVBI-UHFFFAOYSA-N 0 3 218.322 0.173 20 0 BCADHN CCNC(=O)CN1CC[C@H]2[C@@H]1CCCN2C ZINC000880129190 590931588 /nfs/dbraw/zinc/93/15/88/590931588.db2.gz DXCYNNAJMMEOHX-QWRGUYRKSA-N 0 3 225.336 0.291 20 0 BCADHN Cn1ncnc1CN1CC[C@@H]2[C@@H]1CCCN2C ZINC000880133134 590933509 /nfs/dbraw/zinc/93/35/09/590933509.db2.gz NJHLOFHWIATGLE-MNOVXSKESA-N 0 3 235.335 0.484 20 0 BCADHN CN(C)C(=O)CN1CC[C@H]2[C@H]1CCCN2C ZINC000880131254 590935086 /nfs/dbraw/zinc/93/50/86/590935086.db2.gz SIANZVWADRDTGJ-WDEREUQCSA-N 0 3 225.336 0.243 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2CC1OCCO1 ZINC000880135976 590935423 /nfs/dbraw/zinc/93/54/23/590935423.db2.gz CZDYAUFLZSORTJ-MNOVXSKESA-N 0 3 226.320 0.528 20 0 BCADHN CN1CCC[C@@H]2[C@H]1CCN2Cc1nccc(N)n1 ZINC000880137673 590939160 /nfs/dbraw/zinc/93/91/60/590939160.db2.gz IRPGKVHWHCVXBI-GHMZBOCLSA-N 0 3 247.346 0.727 20 0 BCADHN CN1CCC[C@H]2[C@H]1CCN2Cc1nccc(N)n1 ZINC000880137674 590939599 /nfs/dbraw/zinc/93/95/99/590939599.db2.gz IRPGKVHWHCVXBI-MNOVXSKESA-N 0 3 247.346 0.727 20 0 BCADHN CCn1nncc1CN1CC[C@H]2[C@@H]1CCCN2C ZINC000880141707 590941757 /nfs/dbraw/zinc/94/17/57/590941757.db2.gz KJCGRZIVDVXNEZ-STQMWFEESA-N 0 3 249.362 0.967 20 0 BCADHN Cn1ncc(CN2CC[C@H]3[C@H]2CCCN3C)n1 ZINC000880142519 590943014 /nfs/dbraw/zinc/94/30/14/590943014.db2.gz PSOHEZCAZLDCCJ-NWDGAFQWSA-N 0 3 235.335 0.484 20 0 BCADHN CN1CCC[C@@H](N2CC[C@H](C(C)(C)O)C2)C1=O ZINC000880147450 590945079 /nfs/dbraw/zinc/94/50/79/590945079.db2.gz DGCCXGDEPAQNCV-WDEREUQCSA-N 0 3 240.347 0.700 20 0 BCADHN CCOC(=O)[C@@](C)(O)CN1CCC[C@@H](CF)C1 ZINC000880236532 590966226 /nfs/dbraw/zinc/96/62/26/590966226.db2.gz AUXQBGIVOULFHZ-JQWIXIFHSA-N 0 3 247.310 0.982 20 0 BCADHN CCOC(=O)[C@](C)(O)CN1CCC[C@H](CF)C1 ZINC000880236534 590966606 /nfs/dbraw/zinc/96/66/06/590966606.db2.gz AUXQBGIVOULFHZ-ZYHUDNBSSA-N 0 3 247.310 0.982 20 0 BCADHN O=C1NCCN1CCN1CCC[C@H](CF)C1 ZINC000880238090 590969580 /nfs/dbraw/zinc/96/95/80/590969580.db2.gz OKYQBTVVHKRZMF-SNVBAGLBSA-N 0 3 229.299 0.693 20 0 BCADHN FC1CCN(C[C@@H]2COCCO2)CC1 ZINC000880239184 590969641 /nfs/dbraw/zinc/96/96/41/590969641.db2.gz BHWCUQMUTNQRIO-SNVBAGLBSA-N 0 3 203.257 0.836 20 0 BCADHN O=C1OCCN1CCN1CCC(F)CC1 ZINC000880238591 590970874 /nfs/dbraw/zinc/97/08/74/590970874.db2.gz ICKGETHDUQYXFV-UHFFFAOYSA-N 0 3 216.256 0.873 20 0 BCADHN Cn1nnnc1CCN1CCC(F)CC1 ZINC000880238463 590971141 /nfs/dbraw/zinc/97/11/41/590971141.db2.gz HJQDTGGVZWXYQN-UHFFFAOYSA-N 0 3 213.260 0.187 20 0 BCADHN Cn1cc(CCN2CCC(F)CC2)nn1 ZINC000880239283 590972369 /nfs/dbraw/zinc/97/23/69/590972369.db2.gz YCXHCFFSGFIXJR-UHFFFAOYSA-N 0 3 212.272 0.792 20 0 BCADHN O=C(CN1CC[C@H](CF)C1)N1CCC1 ZINC000880295192 590984759 /nfs/dbraw/zinc/98/47/59/590984759.db2.gz JCKHYFWTROPXMP-SECBINFHSA-N 0 3 200.257 0.510 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CC[C@@H](CF)C1 ZINC000880291388 590985543 /nfs/dbraw/zinc/98/55/43/590985543.db2.gz LWZIIFOKJMVIHO-IUCAKERBSA-N 0 3 202.273 0.755 20 0 BCADHN C[C@H](C(=O)NC1CC1)N1CC[C@@H](CF)C1 ZINC000880291812 590986163 /nfs/dbraw/zinc/98/61/63/590986163.db2.gz JOZUFWQGOIUERB-BDAKNGLRSA-N 0 3 214.284 0.945 20 0 BCADHN CCN(C)C(=O)CN1CC[C@H](CF)C1 ZINC000880293534 590987471 /nfs/dbraw/zinc/98/74/71/590987471.db2.gz MGOVYRWCJJUTJH-SECBINFHSA-N 0 3 202.273 0.756 20 0 BCADHN O=C1CNC(=O)N1CCCN1CC[C@@H](CF)C1 ZINC000880293303 590987586 /nfs/dbraw/zinc/98/75/86/590987586.db2.gz HAXWAFVNSJOUBV-VIFPVBQESA-N 0 3 243.282 0.220 20 0 BCADHN O=C1NCCN1CCN1CC[C@@H](CF)C1 ZINC000880299314 590993728 /nfs/dbraw/zinc/99/37/28/590993728.db2.gz FWZNWQPYSWKCGR-VIFPVBQESA-N 0 3 215.272 0.303 20 0 BCADHN CC(=O)[C@](C)(O)CN1CC[C@@H](CF)C1 ZINC000880299336 590994671 /nfs/dbraw/zinc/99/46/71/590994671.db2.gz GHPSNBQZYWXUPF-VHSXEESVSA-N 0 3 203.257 0.618 20 0 BCADHN CCN1CC[C@H](N2CC[C@@H](CF)C2)C1=O ZINC000880300454 590996671 /nfs/dbraw/zinc/99/66/71/590996671.db2.gz SXFBZKRUAOCGOI-UWVGGRQHSA-N 0 3 214.284 0.899 20 0 BCADHN COC(=O)[C@]12CCC[C@H]1CN([C@@H](C)C(N)=O)C2 ZINC000880325776 591006153 /nfs/dbraw/zinc/00/61/53/591006153.db2.gz SKNXXKMFCCUESU-AUTRQRHGSA-N 0 3 240.303 0.135 20 0 BCADHN O[C@H](CN1C[C@@H]2C[C@]2(O)C1)CC1(O)CCCC1 ZINC000880420594 591029091 /nfs/dbraw/zinc/02/90/91/591029091.db2.gz KAZGRFYDYMTOJY-GVXVVHGQSA-N 0 3 241.331 0.109 20 0 BCADHN C[C@@H]1CC[C@H](CO)N1CCN1CCCC1=O ZINC000880441397 591043794 /nfs/dbraw/zinc/04/37/94/591043794.db2.gz VNRSINVFIWGHDJ-GHMZBOCLSA-N 0 3 226.320 0.454 20 0 BCADHN Cc1nocc1NC(=O)[C@H]1CCN(C)C1 ZINC000880449112 591047847 /nfs/dbraw/zinc/04/78/47/591047847.db2.gz PPZXUZLDFTXFRL-QMMMGPOBSA-N 0 3 209.249 0.873 20 0 BCADHN CC(C)COC[C@H](O)CN1CC=C[C@H]1CO ZINC000880483714 591056555 /nfs/dbraw/zinc/05/65/55/591056555.db2.gz ICUHKSKDLUYLGD-NWDGAFQWSA-N 0 3 229.320 0.253 20 0 BCADHN O=C1OCC[C@H]1CCN1CC=C[C@H]1CO ZINC000880485779 591059796 /nfs/dbraw/zinc/05/97/96/591059796.db2.gz HJLHPUGTCZZJHC-ZJUUUORDSA-N 0 3 211.261 0.172 20 0 BCADHN Cn1nccc1CCN1CC=C[C@H]1CO ZINC000880489713 591065862 /nfs/dbraw/zinc/06/58/62/591065862.db2.gz XHQBJDUUQBGYSC-NSHDSACASA-N 0 3 207.277 0.195 20 0 BCADHN OC[C@@H]1C=CCN1C[C@@H](O)Cc1ccccc1 ZINC000880488791 591066099 /nfs/dbraw/zinc/06/60/99/591066099.db2.gz MCSWZIPSFIRTAY-KBPBESRZSA-N 0 3 233.311 0.823 20 0 BCADHN COC(CCN1CC=C[C@H]1CO)OC ZINC000880492309 591067678 /nfs/dbraw/zinc/06/76/78/591067678.db2.gz PUZJTGFMHLLEJM-VIFPVBQESA-N 0 3 201.266 0.228 20 0 BCADHN OC[C@@H]1C=CCN1CCOC1CCOCC1 ZINC000880493339 591070464 /nfs/dbraw/zinc/07/04/64/591070464.db2.gz ASJZKGPFTODXRZ-NSHDSACASA-N 0 3 227.304 0.415 20 0 BCADHN CCNC(=O)CN[C@@H]1CCC[C@]12CCCO2 ZINC000880511060 591082544 /nfs/dbraw/zinc/08/25/44/591082544.db2.gz JTHCDYPEMHBMJE-PWSUYJOCSA-N 0 3 226.320 0.814 20 0 BCADHN C[C@@H]1CC[C@H](O)CN1CC[C@@H]1CCOC1=O ZINC000880521594 591084023 /nfs/dbraw/zinc/08/40/23/591084023.db2.gz JNAWNLROYWPIQX-MXWKQRLJSA-N 0 3 227.304 0.785 20 0 BCADHN COC(=O)[C@@]1(O)CCN([C@H]2C=CCCC2)C1 ZINC000880561678 591093060 /nfs/dbraw/zinc/09/30/60/591093060.db2.gz NWMSPUFNLJEYBO-CMPLNLGQSA-N 0 3 225.288 0.705 20 0 BCADHN COC(=O)[C@]1(O)CCN(CCCCCF)C1 ZINC000880564867 591094400 /nfs/dbraw/zinc/09/44/00/591094400.db2.gz GMUGZIMYMJJZGJ-NSHDSACASA-N 0 3 233.283 0.736 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CCOCC(C)C)C1 ZINC000880564843 591094865 /nfs/dbraw/zinc/09/48/65/591094865.db2.gz FUWKEOQRMBGFDD-GFCCVEGCSA-N 0 3 245.319 0.269 20 0 BCADHN COC(=O)[C@@]1(O)CCN(CCC(=O)C(C)C)C1 ZINC000880566272 591095345 /nfs/dbraw/zinc/09/53/45/591095345.db2.gz XUULGBMNEOSMCV-GFCCVEGCSA-N 0 3 243.303 0.211 20 0 BCADHN C=C/C=C\CCN1CC[C@@](O)(C(=O)OC)C1 ZINC000880567471 591096293 /nfs/dbraw/zinc/09/62/93/591096293.db2.gz ICJFCMWPISRRAH-RXNFCKPNSA-N 0 3 225.288 0.729 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)C[C@@H]1CCOC1 ZINC000880588311 591101582 /nfs/dbraw/zinc/10/15/82/591101582.db2.gz TUXXDAPJZCOZEO-QWRGUYRKSA-N 0 3 228.336 0.855 20 0 BCADHN CC(C)C[C@@H](C(N)=O)N(C)C[C@@H](O)C1CC1 ZINC000880591238 591103312 /nfs/dbraw/zinc/10/33/12/591103312.db2.gz CZUQGTUFDDXVCJ-WDEREUQCSA-N 0 3 228.336 0.589 20 0 BCADHN CO[C@@H](C)CN(C)[C@@H](CC(C)C)C(N)=O ZINC000880590032 591104169 /nfs/dbraw/zinc/10/41/69/591104169.db2.gz KBFQERPVEAPJTD-UWVGGRQHSA-N 0 3 216.325 0.853 20 0 BCADHN CCNC(=O)CCN1CCc2ncncc2C1 ZINC000880593759 591104917 /nfs/dbraw/zinc/10/49/17/591104917.db2.gz CWSRRERHJFBAAD-UHFFFAOYSA-N 0 3 234.303 0.361 20 0 BCADHN CC(C)NC(=O)CCN1CCc2ncncc2C1 ZINC000880593716 591105065 /nfs/dbraw/zinc/10/50/65/591105065.db2.gz BWGBZOHPZHSOBC-UHFFFAOYSA-N 0 3 248.330 0.749 20 0 BCADHN COC(CCN1CCc2ncncc2C1)OC ZINC000880598320 591107630 /nfs/dbraw/zinc/10/76/30/591107630.db2.gz NUVIAUSNMAPAPZ-UHFFFAOYSA-N 0 3 237.303 0.844 20 0 BCADHN CCCN1CC[C@H](NC(=O)COC2CC2)C1 ZINC000880741997 591136763 /nfs/dbraw/zinc/13/67/63/591136763.db2.gz QMRZGINMQDBCIH-JTQLQIEISA-N 0 3 226.320 0.766 20 0 BCADHN CC[C@H](C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C)C ZINC000888835052 591137676 /nfs/dbraw/zinc/13/76/76/591137676.db2.gz AFVRAWDYAFLKRB-MCNAKINOSA-N 0 3 238.331 0.619 20 0 BCADHN C[C@H](N)c1cn(CC(=O)c2cccn2C)nn1 ZINC000881033413 591160476 /nfs/dbraw/zinc/16/04/76/591160476.db2.gz IIXFHSWIOXZFEK-QMMMGPOBSA-N 0 3 233.275 0.519 20 0 BCADHN CCCCCNC(=O)Cn1cc([C@H](C)N)nn1 ZINC000881085504 591162679 /nfs/dbraw/zinc/16/26/79/591162679.db2.gz MIHRRFNFNQKBFM-VIFPVBQESA-N 0 3 239.323 0.604 20 0 BCADHN C[C@@H](N)c1cn(Cc2ccc3nonc3c2)nn1 ZINC000881207827 591171672 /nfs/dbraw/zinc/17/16/72/591171672.db2.gz DPKXUWMVPQMFAL-SSDOTTSWSA-N 0 3 244.258 0.882 20 0 BCADHN CCCOC(=O)[C@@H](C)n1cc([C@@H](C)N)nn1 ZINC000881295536 591181908 /nfs/dbraw/zinc/18/19/08/591181908.db2.gz BPIFLDHFSCGPGV-HTQZYQBOSA-N 0 3 226.280 0.812 20 0 BCADHN CCc1nocc1Cn1cc([C@H](C)N)nn1 ZINC000881380628 591194049 /nfs/dbraw/zinc/19/40/49/591194049.db2.gz VEWGZQLELBZSKJ-ZETCQYMHSA-N 0 3 221.264 0.897 20 0 BCADHN CC(C)N(C)C(=O)[C@H](C)n1cc([C@@H](C)N)nn1 ZINC000881346024 591194536 /nfs/dbraw/zinc/19/45/36/591194536.db2.gz KWVHLXORFVJAPO-BDAKNGLRSA-N 0 3 239.323 0.726 20 0 BCADHN C[C@H](N)c1cn(CCOCC(F)F)nn1 ZINC000881367629 591197265 /nfs/dbraw/zinc/19/72/65/591197265.db2.gz BILBFIHCWRJLRI-LURJTMIESA-N 0 3 220.223 0.580 20 0 BCADHN CCn1nc(C)c(Cn2cc([C@@H](C)N)nn2)n1 ZINC000881378143 591197935 /nfs/dbraw/zinc/19/79/35/591197935.db2.gz GTKYOFUCCOPNHW-SSDOTTSWSA-N 0 3 235.295 0.266 20 0 BCADHN C[C@@H](N)c1cn(C[C@H]2COC(C)(C)O2)nn1 ZINC000881391458 591199879 /nfs/dbraw/zinc/19/98/79/591199879.db2.gz CZAROBPMSRFZDL-SFYZADRCSA-N 0 3 226.280 0.449 20 0 BCADHN CC(C)OCC[C@H](O)Cn1cc([C@H](C)N)nn1 ZINC000881423099 591203188 /nfs/dbraw/zinc/20/31/88/591203188.db2.gz NMZALGDQLASVJZ-UWVGGRQHSA-N 0 3 242.323 0.474 20 0 BCADHN O=C(NC[C@@H]1C=CCC1)[C@@H]1CN2CCN1CCC2 ZINC000881494865 591218007 /nfs/dbraw/zinc/21/80/07/591218007.db2.gz DMCKSUYTNFEFGM-OLZOCXBDSA-N 0 3 249.358 0.459 20 0 BCADHN CCN(CC)CC(=O)NC[C@H]1C[C@H](OC)C1 ZINC000881572807 591245390 /nfs/dbraw/zinc/24/53/90/591245390.db2.gz DYGQEMVJHJKYKA-XYPYZODXSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H]1CCCN1CCNc1nccnc1C(N)=O ZINC000882031739 591289718 /nfs/dbraw/zinc/28/97/18/591289718.db2.gz MRNNPCGPYMEYEH-SECBINFHSA-N 0 3 249.318 0.472 20 0 BCADHN CC[C@H](C(=O)N[C@H]1C[C@@H](COC)C1)N(C)C ZINC000882099580 591297928 /nfs/dbraw/zinc/29/79/28/591297928.db2.gz ZIZRGKZJAKWKHE-OUAUKWLOSA-N 0 3 228.336 0.868 20 0 BCADHN CN1CC=C(CNc2ncc(C=O)cn2)CC1 ZINC000882161657 591308870 /nfs/dbraw/zinc/30/88/70/591308870.db2.gz MFEOONLPZCHRGI-UHFFFAOYSA-N 0 3 232.287 0.963 20 0 BCADHN CC[C@H](C(=O)NC[C@@H]1CCN1CC)N(C)C ZINC000882489211 591365877 /nfs/dbraw/zinc/36/58/77/591365877.db2.gz OMUNATTZFBPTIO-WDEREUQCSA-N 0 3 227.352 0.537 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)CCc1c[nH]cn1 ZINC000882492781 591372390 /nfs/dbraw/zinc/37/23/90/591372390.db2.gz WEWLFVXAVXZSBP-LLVKDONJSA-N 0 3 236.319 0.553 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)CCc1cnc[nH]1 ZINC000882492781 591372395 /nfs/dbraw/zinc/37/23/95/591372395.db2.gz WEWLFVXAVXZSBP-LLVKDONJSA-N 0 3 236.319 0.553 20 0 BCADHN CCN1CC[C@@H]1CNC(=O)CN(C)C1CCC1 ZINC000882494975 591376040 /nfs/dbraw/zinc/37/60/40/591376040.db2.gz VEDUTWVPAIKICE-GFCCVEGCSA-N 0 3 239.363 0.681 20 0 BCADHN 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ZINC000883003100 591504646 /nfs/dbraw/zinc/50/46/46/591504646.db2.gz YPCLBEYBOSGZMK-NSHDSACASA-N 0 3 221.304 0.900 20 0 BCADHN Cc1nccn1CCCN(C)[C@@H]1CCOC1=O ZINC000130791094 591518836 /nfs/dbraw/zinc/51/88/36/591518836.db2.gz GAMFATWXVYHSQN-LLVKDONJSA-N 0 3 237.303 0.829 20 0 BCADHN CN(C)c1ccncc1CNc1cn(C)nn1 ZINC000883145043 591551586 /nfs/dbraw/zinc/55/15/86/591551586.db2.gz KVSWJTBYZIPSEA-UHFFFAOYSA-N 0 3 232.291 0.888 20 0 BCADHN CON(C)CCNCc1ccnc(F)c1 ZINC000883170768 591560395 /nfs/dbraw/zinc/56/03/95/591560395.db2.gz CNFZAXQKFHHBLI-UHFFFAOYSA-N 0 3 213.256 0.804 20 0 BCADHN O=C(NCCNC[C@H](O)c1ccccc1)C1CC1 ZINC000131220268 591572641 /nfs/dbraw/zinc/57/26/41/591572641.db2.gz PFWPMSBGMYDUSH-ZDUSSCGKSA-N 0 3 248.326 0.836 20 0 BCADHN COC[C@@H](NCC(=O)N(C)C)[C@@H]1CCCOC1 ZINC000883214060 591575450 /nfs/dbraw/zinc/57/54/50/591575450.db2.gz WTDPOQVGTWZGKR-GHMZBOCLSA-N 0 3 244.335 0.106 20 0 BCADHN COC[C@H](NCCF)[C@@H]1CCCOC1 ZINC000883221185 591576393 /nfs/dbraw/zinc/57/63/93/591576393.db2.gz VXDKKTPANWBLRI-ZJUUUORDSA-N 0 3 205.273 0.987 20 0 BCADHN CS(=O)(=O)CCNCC1(CO)CCCC1 ZINC000131307842 591588197 /nfs/dbraw/zinc/58/81/97/591588197.db2.gz GAGBEQMLPKRLNG-UHFFFAOYSA-N 0 3 235.349 0.173 20 0 BCADHN CCn1ncc(CNC[C@H]2C[C@H](OC)C2)n1 ZINC000883262126 591599626 /nfs/dbraw/zinc/59/96/26/591599626.db2.gz XMVZDKWVLIAWMH-HOMQSWHASA-N 0 3 224.308 0.813 20 0 BCADHN CC(C)CNCc1nnc2c(=O)n(C)ccn12 ZINC000883333741 591617931 /nfs/dbraw/zinc/61/79/31/591617931.db2.gz BERXQELUNDWRGO-UHFFFAOYSA-N 0 3 235.291 0.174 20 0 BCADHN CCN1CC[C@@H]1CN[C@H](C)c1ccc(=O)[nH]n1 ZINC000883355046 591626407 /nfs/dbraw/zinc/62/64/07/591626407.db2.gz HSQPPRXLCPEOGY-NXEZZACHSA-N 0 3 236.319 0.927 20 0 BCADHN CCN1CC[C@@H]1CNCc1cncnc1OC ZINC000883359064 591628572 /nfs/dbraw/zinc/62/85/72/591628572.db2.gz XOZLVAPZYIAUEV-LLVKDONJSA-N 0 3 236.319 0.669 20 0 BCADHN CCN1CC[C@@H]1CNCc1cnc(N(C)C)nc1 ZINC000883361108 591630567 /nfs/dbraw/zinc/63/05/67/591630567.db2.gz 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20 0 BCADHN CCN(CC)C(=O)CN[C@H](C)[C@@H](C)OC ZINC000132696881 591730598 /nfs/dbraw/zinc/73/05/98/591730598.db2.gz GBDSADBVPHECND-NXEZZACHSA-N 0 3 216.325 0.868 20 0 BCADHN C[C@@H](N[C@@H](C)CCO)C(=O)NCc1ccco1 ZINC000132891942 591746806 /nfs/dbraw/zinc/74/68/06/591746806.db2.gz SSLNIELDYTUXQO-VHSXEESVSA-N 0 3 240.303 0.645 20 0 BCADHN C[C@H](CS(C)(=O)=O)NCCCCCCO ZINC000133003134 591756442 /nfs/dbraw/zinc/75/64/42/591756442.db2.gz LCAGUWLRJXZHIG-SNVBAGLBSA-N 0 3 237.365 0.562 20 0 BCADHN Cc1cc(N[C@H](C)CC[S@](C)=O)nc(N)n1 ZINC000133057839 591761792 /nfs/dbraw/zinc/76/17/92/591761792.db2.gz OINGVHKBHRIGLZ-VGDKGRGNSA-N 0 3 242.348 0.936 20 0 BCADHN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCNCC2)C1 ZINC000884008038 591795194 /nfs/dbraw/zinc/79/51/94/591795194.db2.gz ZRDZRTLELQMMRC-ONGXEEELSA-N 0 3 248.330 0.507 20 0 BCADHN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCNCC2)C1 ZINC000884008036 591795758 /nfs/dbraw/zinc/79/57/58/591795758.db2.gz ZRDZRTLELQMMRC-KOLCDFICSA-N 0 3 248.330 0.507 20 0 BCADHN CC[S@@](=O)CCN[C@@H](C)c1cnn(C)c1 ZINC000133478815 591799454 /nfs/dbraw/zinc/79/94/54/591799454.db2.gz XNUMMAZLRUOLPQ-VFZGTOFNSA-N 0 3 229.349 0.839 20 0 BCADHN CC[S@](=O)CCN[C@H]1CCCOC1 ZINC000133495995 591802576 /nfs/dbraw/zinc/80/25/76/591802576.db2.gz ZKNNPUIGUHRQMW-TVQRCGJNSA-N 0 3 205.323 0.524 20 0 BCADHN CC[S@](=O)CCN[C@@H]1CCCOC1 ZINC000133495568 591804919 /nfs/dbraw/zinc/80/49/19/591804919.db2.gz ZKNNPUIGUHRQMW-NOZJJQNGSA-N 0 3 205.323 0.524 20 0 BCADHN CC(=O)c1cncc(C(=O)N[C@@H](CN)C2CC2)c1 ZINC000884037240 591818637 /nfs/dbraw/zinc/81/86/37/591818637.db2.gz TUEXLEGLOLAJAC-LBPRGKRZSA-N 0 3 247.298 0.751 20 0 BCADHN Cc1ccc(C(=O)N2CCN(C)C[C@H]2CN)nc1 ZINC000884043017 591824572 /nfs/dbraw/zinc/82/45/72/591824572.db2.gz MSFDIJDMEQNANJ-LLVKDONJSA-N 0 3 248.330 0.105 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000884048911 591826947 /nfs/dbraw/zinc/82/69/47/591826947.db2.gz ZYECEPDPVWDTDQ-MMWGEVLESA-N 0 3 228.336 0.901 20 0 BCADHN CCOC(=O)C(C)(C)NC(=O)[C@@H](N)CC1CC1 ZINC000884123408 591856176 /nfs/dbraw/zinc/85/61/76/591856176.db2.gz SFWAJULCNSVVMT-VIFPVBQESA-N 0 3 242.319 0.572 20 0 BCADHN CCCCOC(=O)CNC(=O)[C@@H](N)CC1CC1 ZINC000884129240 591856829 /nfs/dbraw/zinc/85/68/29/591856829.db2.gz BFPUJOFDEAQVQQ-JTQLQIEISA-N 0 3 242.319 0.573 20 0 BCADHN CC[C@H](C)[C@H](O)CNC(=O)[C@H](N)CC1CC1 ZINC000884135926 591859433 /nfs/dbraw/zinc/85/94/33/591859433.db2.gz XJNCXXLYFJBRHH-JMJZKYOTSA-N 0 3 228.336 0.637 20 0 BCADHN CCc1cc(NC(=O)[C@H](N)CCOC)n(C)n1 ZINC000884142003 591860875 /nfs/dbraw/zinc/86/08/75/591860875.db2.gz PDVHAVAVNPHLCQ-SECBINFHSA-N 0 3 240.307 0.285 20 0 BCADHN CO[C@@H](CN)C(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000884143773 591862120 /nfs/dbraw/zinc/86/21/20/591862120.db2.gz QNFSPHVDWIWUSM-DCAQKATOSA-N 0 3 228.336 0.997 20 0 BCADHN COCCOC[C@H](C)NC(=O)[C@@H](N)CC1CC1 ZINC000884154985 591863288 /nfs/dbraw/zinc/86/32/88/591863288.db2.gz SJOCELFHJXYXKU-ONGXEEELSA-N 0 3 244.335 0.282 20 0 BCADHN COCC[C@@H](N)C(=O)N[C@@H](C)CC(C)(C)OC ZINC000884153124 591863537 /nfs/dbraw/zinc/86/35/37/591863537.db2.gz CZSGRPNRPWSECB-VHSXEESVSA-N 0 3 246.351 0.670 20 0 BCADHN COC(=O)[C@@H](NC(=O)[C@@H](N)CC1CC1)C1CC1 ZINC000884152499 591863811 /nfs/dbraw/zinc/86/38/11/591863811.db2.gz NBVYWACBFPLFOI-UWVGGRQHSA-N 0 3 240.303 0.182 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000884154869 591864105 /nfs/dbraw/zinc/86/41/05/591864105.db2.gz PYEITSUKCKCHJV-OUCADQQQSA-N 0 3 248.326 0.807 20 0 BCADHN CO[C@@H](CN)C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000884152723 591864291 /nfs/dbraw/zinc/86/42/91/591864291.db2.gz RRVXABFEQMVWLI-JBLDHEPKSA-N 0 3 244.335 0.018 20 0 BCADHN C[NH2+]C[C@H](C)C(=O)[N-]OCC(F)(F)F ZINC000133874885 591865372 /nfs/dbraw/zinc/86/53/72/591865372.db2.gz KJCKZYQRDQNRHO-YFKPBYRVSA-N 0 3 214.187 0.452 20 0 BCADHN CO[C@@H](CN)C(=O)N1[C@H](C)CC[C@H]1C ZINC000884172695 591866080 /nfs/dbraw/zinc/86/60/80/591866080.db2.gz BHPYNHQGMLHSPP-HLTSFMKQSA-N 0 3 200.282 0.360 20 0 BCADHN Cc1cc(NC(=O)[C@@H](N)CC2CC2)c(=O)n(C)c1 ZINC000884174180 591866262 /nfs/dbraw/zinc/86/62/62/591866262.db2.gz KXAFPQJZFVTINV-JTQLQIEISA-N 0 3 249.314 0.760 20 0 BCADHN NC(=O)CC1(NC(=O)[C@@H](N)CC2CC2)CCC1 ZINC000884172447 591866323 /nfs/dbraw/zinc/86/63/23/591866323.db2.gz VJNCDHKZBCGMPZ-VIFPVBQESA-N 0 3 239.319 0.028 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1ccc[nH]c1=O ZINC000884208342 591873309 /nfs/dbraw/zinc/87/33/09/591873309.db2.gz XGRFYNBKYFDBAC-SSDOTTSWSA-N 0 3 225.248 0.090 20 0 BCADHN N[C@@H](CC1CC1)C(=O)Nc1ccc[nH]c1=O ZINC000884208363 591873691 /nfs/dbraw/zinc/87/36/91/591873691.db2.gz XUCOFUUPWVHJER-QMMMGPOBSA-N 0 3 221.260 0.853 20 0 BCADHN CN(C)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884241784 591877650 /nfs/dbraw/zinc/87/76/50/591877650.db2.gz BTLGDPYDKQWIMG-UHFFFAOYSA-N 0 3 234.303 0.193 20 0 BCADHN CCc1cc(C(=O)NCCNCCOC)no1 ZINC000884241922 591878635 /nfs/dbraw/zinc/87/86/35/591878635.db2.gz FWSQPEYMUMHEGZ-UHFFFAOYSA-N 0 3 241.291 0.203 20 0 BCADHN O=C(COC1CC1)N[C@H]1CNCCC1(F)F ZINC000884298827 591898390 /nfs/dbraw/zinc/89/83/90/591898390.db2.gz DWFKDINGQFIIPZ-QMMMGPOBSA-N 0 3 234.246 0.279 20 0 BCADHN COCC[C@H](N)C(=O)NC[C@H]1CCC[C@H]1OC ZINC000884309270 591900600 /nfs/dbraw/zinc/90/06/00/591900600.db2.gz QTZFZYHLWVOKHB-OUAUKWLOSA-N 0 3 244.335 0.282 20 0 BCADHN CO[C@@H](CN)C(=O)Nc1cnn(C(F)F)c1 ZINC000884308979 591901130 /nfs/dbraw/zinc/90/11/30/591901130.db2.gz IMQCLLVCOTWETC-LURJTMIESA-N 0 3 234.206 0.190 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000884313505 591901929 /nfs/dbraw/zinc/90/19/29/591901929.db2.gz GXQWYWZGKQVJPX-BBBLOLIVSA-N 0 3 214.309 0.465 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)[C@@H](N)CC1CC1 ZINC000884333138 591904313 /nfs/dbraw/zinc/90/43/13/591904313.db2.gz FMLNLGCAKOMQLL-NRPADANISA-N 0 3 214.309 0.653 20 0 BCADHN CO[C@@H](C)[C@H](C)NC(=O)[C@H](N)CC1CC1 ZINC000884333139 591905020 /nfs/dbraw/zinc/90/50/20/591905020.db2.gz FMLNLGCAKOMQLL-OYNCUSHFSA-N 0 3 214.309 0.653 20 0 BCADHN O=C(NC[C@@H]1CNCCO1)c1c[nH]cc1C1CC1 ZINC000884339325 591906283 /nfs/dbraw/zinc/90/62/83/591906283.db2.gz JZJGHOPRBLYEOF-JTQLQIEISA-N 0 3 249.314 0.610 20 0 BCADHN O=C(NC[C@H]1CNCCO1)C1(C2CC2)CC1 ZINC000884339727 591906678 /nfs/dbraw/zinc/90/66/78/591906678.db2.gz VKODAAADXGKIAQ-SNVBAGLBSA-N 0 3 224.304 0.281 20 0 BCADHN COC(=O)CC1(NC(=O)[C@@H](N)CC2CC2)CC1 ZINC000884386553 591921793 /nfs/dbraw/zinc/92/17/93/591921793.db2.gz SHAYEENRIHSYKR-VIFPVBQESA-N 0 3 240.303 0.326 20 0 BCADHN CO[C@@H](CN)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000884388703 591922419 /nfs/dbraw/zinc/92/24/19/591922419.db2.gz DGMJVGQAXXEHGQ-CBAPKCEASA-N 0 3 234.246 0.218 20 0 BCADHN CC[C@H](NC(=O)[C@H](CN)OC)[C@@H]1CCCCO1 ZINC000884392980 591923222 /nfs/dbraw/zinc/92/32/22/591923222.db2.gz RQWVADZCLGHREF-DCAQKATOSA-N 0 3 244.335 0.424 20 0 BCADHN COC[C@@H](CC(C)(C)C)NC(=O)[C@H](CN)OC ZINC000884390805 591923784 /nfs/dbraw/zinc/92/37/84/591923784.db2.gz HQOYMFRXGMQBRH-ZJUUUORDSA-N 0 3 246.351 0.528 20 0 BCADHN C[C@]12COC[C@H]1CN(C(=O)[C@@H](N)CC1CC1)C2 ZINC000884409794 591926762 /nfs/dbraw/zinc/92/67/62/591926762.db2.gz SFYFOKHQLODOCM-MDZLAQPJSA-N 0 3 238.331 0.609 20 0 BCADHN CO[C@@H](CN)C(=O)NCCCc1ccco1 ZINC000884417189 591928161 /nfs/dbraw/zinc/92/81/61/591928161.db2.gz ZZTZMWZVWLFNRF-JTQLQIEISA-N 0 3 226.276 0.302 20 0 BCADHN C[C@H]1CO[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000884419339 591928992 /nfs/dbraw/zinc/92/89/92/591928992.db2.gz OBNYCJFNZBKRJF-KYXWUPHJSA-N 0 3 230.283 0.309 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1CCOCC(F)(F)C1 ZINC000884442123 591935825 /nfs/dbraw/zinc/93/58/25/591935825.db2.gz XAVLOMNRVATDKV-VIFPVBQESA-N 0 3 248.273 0.608 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1cncc(OC)c1 ZINC000884450562 591938554 /nfs/dbraw/zinc/93/85/54/591938554.db2.gz MTBOYTHBVZZPAG-SNVBAGLBSA-N 0 3 239.275 0.393 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@@H](C)c1cnc(C)s1 ZINC000884460750 591940980 /nfs/dbraw/zinc/94/09/80/591940980.db2.gz KIBWWODFXGPOFH-XPUUQOCRSA-N 0 3 243.332 0.602 20 0 BCADHN N[C@H](CC1CC1)C(=O)NCc1ccnc(F)c1 ZINC000884463556 591942339 /nfs/dbraw/zinc/94/23/39/591942339.db2.gz KYFNRGFGAUCFGS-SNVBAGLBSA-N 0 3 237.278 0.964 20 0 BCADHN COCC[C@@H](N)C(=O)N1CCC(C)(F)CC1 ZINC000884464629 591942734 /nfs/dbraw/zinc/94/27/34/591942734.db2.gz WTRYQNDDBURQLC-SECBINFHSA-N 0 3 232.299 0.701 20 0 BCADHN CN(c1ccnc(CO)c1)[C@H]1CCOC1 ZINC000134746819 591949245 /nfs/dbraw/zinc/94/92/45/591949245.db2.gz YACVFQWYUJYWDE-NSHDSACASA-N 0 3 208.261 0.799 20 0 BCADHN Cc1cc(NCCN2CC[C@H](O)C2)nc(F)n1 ZINC000884568584 591983264 /nfs/dbraw/zinc/98/32/64/591983264.db2.gz OXNLTPMQWSMSEQ-VIFPVBQESA-N 0 3 240.282 0.403 20 0 BCADHN O[C@@H]1C[C@H](Nc2ccnc3ccccc32)C[C@@H]1O ZINC000884623157 591996376 /nfs/dbraw/zinc/99/63/76/591996376.db2.gz QOTHRCDKXJRENP-KFKUMKOWSA-N 0 3 244.294 0.953 20 0 BCADHN COC(=O)/C(C)=C/CN1CCC[C@](C)(O)C1 ZINC000135359559 592009498 /nfs/dbraw/zinc/00/94/98/592009498.db2.gz IOBKXADQVVYUOV-DJTWPOEFSA-N 0 3 227.304 0.953 20 0 BCADHN COCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000216238094 592014691 /nfs/dbraw/zinc/01/46/91/592014691.db2.gz RJFWLAURIVIFQT-LPEHRKFASA-N 0 3 214.309 0.655 20 0 BCADHN Cc1cnc(NCCN(C)CCO)s1 ZINC000884825126 592017949 /nfs/dbraw/zinc/01/79/49/592017949.db2.gz GUCASQLXJORDDG-UHFFFAOYSA-N 0 3 215.322 0.788 20 0 BCADHN Cc1ncnc(NCCN(C)CCO)c1C ZINC000884826168 592018295 /nfs/dbraw/zinc/01/82/95/592018295.db2.gz MKFFZDOFHVCWHE-UHFFFAOYSA-N 0 3 224.308 0.429 20 0 BCADHN CN(CCO)CCNc1ncnc2c1CCC2 ZINC000884824569 592021846 /nfs/dbraw/zinc/02/18/46/592021846.db2.gz AXRGMDZIAQGEQE-UHFFFAOYSA-N 0 3 236.319 0.301 20 0 BCADHN CN(CCO)CCNc1ncccc1F ZINC000884824572 592022045 /nfs/dbraw/zinc/02/20/45/592022045.db2.gz BGSYSSONDJVNIM-UHFFFAOYSA-N 0 3 213.256 0.557 20 0 BCADHN Cc1nsc(NCCN(C)CCO)n1 ZINC000884824957 592022127 /nfs/dbraw/zinc/02/21/27/592022127.db2.gz XFLMPCHDEAASCD-UHFFFAOYSA-N 0 3 216.310 0.183 20 0 BCADHN CN(CCO)CCNc1ccnc(C2CC2)n1 ZINC000884824963 592022439 /nfs/dbraw/zinc/02/24/39/592022439.db2.gz XSGGDKSXACERMH-UHFFFAOYSA-N 0 3 236.319 0.690 20 0 BCADHN CN(CCO)CCNc1ncncc1Cl ZINC000884825043 592023216 /nfs/dbraw/zinc/02/32/16/592023216.db2.gz CBVQTPAAQAILMQ-UHFFFAOYSA-N 0 3 230.699 0.466 20 0 BCADHN CN(CCO)CCNc1nnc(C2CC2)o1 ZINC000884825189 592023497 /nfs/dbraw/zinc/02/34/97/592023497.db2.gz KNDYQWAGOFFZIU-UHFFFAOYSA-N 0 3 226.280 0.283 20 0 BCADHN Cc1c(F)ncnc1NCCN(C)CCO ZINC000884826082 592023592 /nfs/dbraw/zinc/02/35/92/592023592.db2.gz GIYCWDIVTZEUMN-UHFFFAOYSA-N 0 3 228.271 0.260 20 0 BCADHN CN(CCO)CCNc1ncnc(N)c1Cl ZINC000884825251 592023744 /nfs/dbraw/zinc/02/37/44/592023744.db2.gz NGXBHFKGSFMJJE-UHFFFAOYSA-N 0 3 245.714 0.048 20 0 BCADHN COCCNCCNC(=O)N1CCC[C@@H](C)C1 ZINC000216373084 592026211 /nfs/dbraw/zinc/02/62/11/592026211.db2.gz GGZROGCLJLLATA-LLVKDONJSA-N 0 3 243.351 0.664 20 0 BCADHN COCCNCCNC(=O)N1CCC[C@H](C)C1 ZINC000216373125 592026621 /nfs/dbraw/zinc/02/66/21/592026621.db2.gz GGZROGCLJLLATA-NSHDSACASA-N 0 3 243.351 0.664 20 0 BCADHN COCCOC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000885008168 592033233 /nfs/dbraw/zinc/03/32/33/592033233.db2.gz MPMDJJJNTHCKDN-LLVKDONJSA-N 0 3 242.319 0.938 20 0 BCADHN COCCOC(=O)N(C)CCN1CCCC1 ZINC000885001537 592033807 /nfs/dbraw/zinc/03/38/07/592033807.db2.gz GIFLSFPOIDRJLF-UHFFFAOYSA-N 0 3 230.308 0.797 20 0 BCADHN COCCOC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000885031540 592034089 /nfs/dbraw/zinc/03/40/89/592034089.db2.gz LNPRHBZDWZGAGA-VHSXEESVSA-N 0 3 230.308 0.842 20 0 BCADHN C[C@@H]1C(=O)CCCN1C(=O)[C@@H]1CCN(C)C1 ZINC000885042976 592037708 /nfs/dbraw/zinc/03/77/08/592037708.db2.gz CXGOCBLOLSGHPQ-NXEZZACHSA-N 0 3 224.304 0.518 20 0 BCADHN C[C@@H]1CCC(=O)CN1C(=O)C1(CN(C)C)CC1 ZINC000885072993 592045832 /nfs/dbraw/zinc/04/58/32/592045832.db2.gz IWWVWNYWMQWOJR-SNVBAGLBSA-N 0 3 238.331 0.908 20 0 BCADHN COCCOC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000885200987 592057307 /nfs/dbraw/zinc/05/73/07/592057307.db2.gz OBBMVJNMMCKHSG-UWVGGRQHSA-N 0 3 228.292 0.405 20 0 BCADHN CCO[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000885325121 592066623 /nfs/dbraw/zinc/06/66/23/592066623.db2.gz LYEOYVKRUBFQGX-QWRGUYRKSA-N 0 3 228.336 0.964 20 0 BCADHN CCO[C@H]1CCN(C(=O)C23CCN(CC2)C3)C1 ZINC000885327147 592066988 /nfs/dbraw/zinc/06/69/88/592066988.db2.gz WITZGSPZJNTZIT-NSHDSACASA-N 0 3 238.331 0.720 20 0 BCADHN C[C@@H](CNC(=S)NC1CC1)N(C)C ZINC000135953493 592082239 /nfs/dbraw/zinc/08/22/39/592082239.db2.gz OMNNMXKDVVPPDF-ZETCQYMHSA-N 0 3 201.339 0.563 20 0 BCADHN CC(C)N(CC(N)=O)C[C@H]1C[C@@]12CCOC2 ZINC000885940588 592112079 /nfs/dbraw/zinc/11/20/79/592112079.db2.gz MKXJDDPQSJXQIQ-ZYHUDNBSSA-N 0 3 226.320 0.609 20 0 BCADHN CCN(CC(=O)N(C)C)C[C@@H]1C[C@]12CCOC2 ZINC000885953771 592114463 /nfs/dbraw/zinc/11/44/63/592114463.db2.gz FSIQZRAVPMPQMA-AAEUAGOBSA-N 0 3 240.347 0.823 20 0 BCADHN CNC(=O)CCN(C)C[C@@](C)(O)C(F)F ZINC000885983902 592120613 /nfs/dbraw/zinc/12/06/13/592120613.db2.gz STLPRNHWMRWJDP-SECBINFHSA-N 0 3 224.251 0.070 20 0 BCADHN Cc1[nH]nc(CN[C@@H]2CC(=O)N(C3CC3)C2)c1C ZINC000886008674 592129733 /nfs/dbraw/zinc/12/97/33/592129733.db2.gz SCWBHJTXMOXKAT-SNVBAGLBSA-N 0 3 248.330 0.879 20 0 BCADHN C[C@@H](O)CCN(C)C[C@](C)(O)C(F)F ZINC000886021637 592133552 /nfs/dbraw/zinc/13/35/52/592133552.db2.gz ZQHLGYGDHWJYGT-APPZFPTMSA-N 0 3 211.252 0.705 20 0 BCADHN C[C@@H]1CO[C@H](CO)CN1C[C@H]1C[C@@]12CCOC2 ZINC000886040678 592138998 /nfs/dbraw/zinc/13/89/98/592138998.db2.gz AKDCXXKAFVQHTC-FVCCEPFGSA-N 0 3 241.331 0.495 20 0 BCADHN CNC(=O)C(C)(C)CNCc1[nH]nc(C)c1C ZINC000886041518 592139465 /nfs/dbraw/zinc/13/94/65/592139465.db2.gz NTERLIOHIOHMAV-UHFFFAOYSA-N 0 3 238.335 0.888 20 0 BCADHN Cc1n[nH]c(CN[C@H](C)C[S@](C)=O)c1C ZINC000886061966 592141729 /nfs/dbraw/zinc/14/17/29/592141729.db2.gz CVNMCEBZXPKXAN-MLXNANBUSA-N 0 3 229.349 0.883 20 0 BCADHN Cc1[nH]nc(CN[C@H](C)C[S@](C)=O)c1C ZINC000886061966 592141730 /nfs/dbraw/zinc/14/17/30/592141730.db2.gz CVNMCEBZXPKXAN-MLXNANBUSA-N 0 3 229.349 0.883 20 0 BCADHN Cc1n[nH]c(CN[C@@H](C)C[S@](C)=O)c1C ZINC000886061968 592141889 /nfs/dbraw/zinc/14/18/89/592141889.db2.gz CVNMCEBZXPKXAN-ZIDLFYJRSA-N 0 3 229.349 0.883 20 0 BCADHN Cc1[nH]nc(CN[C@@H](C)C[S@](C)=O)c1C ZINC000886061968 592141890 /nfs/dbraw/zinc/14/18/90/592141890.db2.gz CVNMCEBZXPKXAN-ZIDLFYJRSA-N 0 3 229.349 0.883 20 0 BCADHN C[C@@](O)(CN1CCC[C@@](C)(O)C1)C(F)F ZINC000886100384 592154766 /nfs/dbraw/zinc/15/47/66/592154766.db2.gz MOZPIHRDLIPAEM-NXEZZACHSA-N 0 3 223.263 0.849 20 0 BCADHN Cc1n[nH]c(CNC[C@@H]2CCCNC2=O)c1C ZINC000886144592 592162877 /nfs/dbraw/zinc/16/28/77/592162877.db2.gz BNSFFQTZGMEFKW-JTQLQIEISA-N 0 3 236.319 0.642 20 0 BCADHN Cc1[nH]nc(CNC[C@@H]2CCCNC2=O)c1C ZINC000886144592 592162880 /nfs/dbraw/zinc/16/28/80/592162880.db2.gz BNSFFQTZGMEFKW-JTQLQIEISA-N 0 3 236.319 0.642 20 0 BCADHN C[C@@H]1CN(C[C@](C)(O)C(F)F)CC[C@@H]1O ZINC000886146843 592162947 /nfs/dbraw/zinc/16/29/47/592162947.db2.gz DCFHTMLZOAUDKJ-WEDXCCLWSA-N 0 3 223.263 0.705 20 0 BCADHN Cc1n[nH]c(CN[C@H](CO)CCF)c1C ZINC000886153941 592164993 /nfs/dbraw/zinc/16/49/93/592164993.db2.gz VFLINOTVGYELTN-VIFPVBQESA-N 0 3 215.272 0.837 20 0 BCADHN Cc1[nH]nc(CN[C@H](CO)CCF)c1C ZINC000886153941 592164994 /nfs/dbraw/zinc/16/49/94/592164994.db2.gz VFLINOTVGYELTN-VIFPVBQESA-N 0 3 215.272 0.837 20 0 BCADHN C[C@@H]1CN(C[C@@H]2C[C@]23CCOC3)C[C@@H](CO)O1 ZINC000886164576 592166973 /nfs/dbraw/zinc/16/69/73/592166973.db2.gz ONGWGTLBWZZFQH-VOAKCMCISA-N 0 3 241.331 0.495 20 0 BCADHN CN(CCCCO)C[C@@](C)(O)C(F)F ZINC000886166642 592167514 /nfs/dbraw/zinc/16/75/14/592167514.db2.gz MZVPNWZSRUBJLG-SECBINFHSA-N 0 3 211.252 0.707 20 0 BCADHN Cc1n[nH]c(CNC[C@H](O)[C@H]2CCCO2)c1C ZINC000886167996 592168051 /nfs/dbraw/zinc/16/80/51/592168051.db2.gz GFFSTPLSXUELOW-NWDGAFQWSA-N 0 3 239.319 0.656 20 0 BCADHN Cc1[nH]nc(CNC[C@H](O)[C@H]2CCCO2)c1C ZINC000886167996 592168053 /nfs/dbraw/zinc/16/80/53/592168053.db2.gz GFFSTPLSXUELOW-NWDGAFQWSA-N 0 3 239.319 0.656 20 0 BCADHN CO[C@@H](C)CN(C)C[C@](C)(O)C(F)F ZINC000886204513 592175805 /nfs/dbraw/zinc/17/58/05/592175805.db2.gz ILLKPDKYPPUOKW-CBAPKCEASA-N 0 3 211.252 0.969 20 0 BCADHN COC[C@H]1CCN1C[C@](C)(O)C(F)F ZINC000886217528 592178896 /nfs/dbraw/zinc/17/88/96/592178896.db2.gz BNDIBDBQJCFDBR-APPZFPTMSA-N 0 3 209.236 0.723 20 0 BCADHN C[C@@](O)(CN1CCC[C@@H](O)CC1)C(F)F ZINC000886221122 592179804 /nfs/dbraw/zinc/17/98/04/592179804.db2.gz UDKIQKXKEKMOHX-PSASIEDQSA-N 0 3 223.263 0.849 20 0 BCADHN Cn1nccc1CN[C@H](CO)C[C@H]1CCCO1 ZINC000886229352 592181225 /nfs/dbraw/zinc/18/12/25/592181225.db2.gz OIQGCGYUYJPQNP-CMPLNLGQSA-N 0 3 239.319 0.440 20 0 BCADHN Cn1cncc1CN[C@H](CO)C[C@H]1CCCO1 ZINC000886229969 592181311 /nfs/dbraw/zinc/18/13/11/592181311.db2.gz YLHKKHMJSJTURA-CMPLNLGQSA-N 0 3 239.319 0.440 20 0 BCADHN Cn1nccc1CN[C@@H](CO)C[C@H]1CCCO1 ZINC000886229355 592181315 /nfs/dbraw/zinc/18/13/15/592181315.db2.gz OIQGCGYUYJPQNP-ZYHUDNBSSA-N 0 3 239.319 0.440 20 0 BCADHN Cc1n[nH]cc1CN[C@H](CO)C[C@@H]1CCCO1 ZINC000886229115 592181350 /nfs/dbraw/zinc/18/13/50/592181350.db2.gz LGANOWLLAZDPOJ-RYUDHWBXSA-N 0 3 239.319 0.738 20 0 BCADHN CON1CCN(C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886237061 592182531 /nfs/dbraw/zinc/18/25/31/592182531.db2.gz UODZILGQCTWDHI-NWDGAFQWSA-N 0 3 226.320 0.592 20 0 BCADHN CCNC(=O)C(C)(C)NCc1[nH]ncc1C ZINC000886240711 592182958 /nfs/dbraw/zinc/18/29/58/592182958.db2.gz BBAKDBFZYVCKLU-UHFFFAOYSA-N 0 3 224.308 0.722 20 0 BCADHN Cc1ccccc1CN[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886241127 592183217 /nfs/dbraw/zinc/18/32/17/592183217.db2.gz PBTSYJBPYNHQBQ-XYYAHUGASA-N 0 3 221.300 0.969 20 0 BCADHN O[C@@H]1C[C@@H](NCc2ccc3c[nH]nc3c2)C[C@@H]1O ZINC000886242954 592183709 /nfs/dbraw/zinc/18/37/09/592183709.db2.gz KCUAILNEHFZLBE-UOJUARBOSA-N 0 3 247.298 0.537 20 0 BCADHN O[C@@H]1C[C@@H](NCc2n[nH]c3ccccc32)C[C@@H]1O ZINC000886243113 592183934 /nfs/dbraw/zinc/18/39/34/592183934.db2.gz OKBYZYSPRQFLPH-IXLQSRGQSA-N 0 3 247.298 0.537 20 0 BCADHN O[C@@H]1C[C@@H](NCc2[nH]nc3ccccc32)C[C@@H]1O ZINC000886243113 592183935 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/nfs/dbraw/zinc/21/36/08/598213608.db2.gz WLIPDXMOTRZVNS-ZJUUUORDSA-N 0 3 214.309 0.781 20 0 BCADHN C[C@H](CCO)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735987941 599598158 /nfs/dbraw/zinc/59/81/58/599598158.db2.gz YWYISFQQXGQKRN-SECBINFHSA-N 0 3 247.302 0.727 20 0 BCADHN C[C@H](CCO)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735987941 599598160 /nfs/dbraw/zinc/59/81/60/599598160.db2.gz YWYISFQQXGQKRN-SECBINFHSA-N 0 3 247.302 0.727 20 0 BCADHN C[C@@H](CCO)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735987943 599598301 /nfs/dbraw/zinc/59/83/01/599598301.db2.gz YWYISFQQXGQKRN-VIFPVBQESA-N 0 3 247.302 0.727 20 0 BCADHN C[C@@H](CCO)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735987943 599598299 /nfs/dbraw/zinc/59/82/99/599598299.db2.gz YWYISFQQXGQKRN-VIFPVBQESA-N 0 3 247.302 0.727 20 0 BCADHN CCN(C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)[O-])C1 ZINC000389972997 601040156 /nfs/dbraw/zinc/04/01/56/601040156.db2.gz CZAPSCSCDBDRQZ-ZJUUUORDSA-N 0 3 214.309 0.733 20 0 BCADHN CCN(C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)[O-])C1 ZINC000389972997 601040158 /nfs/dbraw/zinc/04/01/58/601040158.db2.gz CZAPSCSCDBDRQZ-ZJUUUORDSA-N 0 3 214.309 0.733 20 0 BCADHN C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000088091275 604361384 /nfs/dbraw/zinc/36/13/84/604361384.db2.gz FKFZDMOMIFDCPH-GMTAPVOTSA-N 0 3 226.320 0.876 20 0 BCADHN C[C@H](C(=O)[O-])[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000088091275 604361389 /nfs/dbraw/zinc/36/13/89/604361389.db2.gz FKFZDMOMIFDCPH-GMTAPVOTSA-N 0 3 226.320 0.876 20 0 BCADHN C[NH+](C)CC(C)(C)CN[C@@H]1CCN(C(=O)[O-])C1 ZINC000828017484 605831394 /nfs/dbraw/zinc/83/13/94/605831394.db2.gz ONRNFAYKOKYHBG-SNVBAGLBSA-N 0 3 243.351 0.916 20 0 BCADHN C[C@@H](CO)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824440571 607957090 /nfs/dbraw/zinc/95/70/90/607957090.db2.gz GDSREPMQTWZXGL-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN C[C@@H](CO)[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824440571 607957091 /nfs/dbraw/zinc/95/70/91/607957091.db2.gz GDSREPMQTWZXGL-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN C[C@@H](CO)[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824440571 607957092 /nfs/dbraw/zinc/95/70/92/607957092.db2.gz GDSREPMQTWZXGL-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN C[C@@H](CO)[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824440571 607957089 /nfs/dbraw/zinc/95/70/89/607957089.db2.gz GDSREPMQTWZXGL-VIFPVBQESA-N 0 3 247.302 0.679 20 0 BCADHN C[C@H]([NH2+]CCO)c1ccc(-c2nnn[n-]2)cc1 ZINC000095247783 608460464 /nfs/dbraw/zinc/46/04/64/608460464.db2.gz BIJQFWWNYWBFIK-QMMMGPOBSA-N 0 3 233.275 0.510 20 0 BCADHN C[C@H]([NH2+]CCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000095247783 608460465 /nfs/dbraw/zinc/46/04/65/608460465.db2.gz BIJQFWWNYWBFIK-QMMMGPOBSA-N 0 3 233.275 0.510 20 0 BCADHN COC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095245370 608757443 /nfs/dbraw/zinc/75/74/43/608757443.db2.gz KIILRKUJAIXAMT-SECBINFHSA-N 0 3 247.302 0.991 20 0 BCADHN COC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095245370 608757444 /nfs/dbraw/zinc/75/74/44/608757444.db2.gz KIILRKUJAIXAMT-SECBINFHSA-N 0 3 247.302 0.991 20 0 BCADHN CC[S@](=O)CCNCc1cnc[nH]1 ZINC000124140830 634395073 /nfs/dbraw/zinc/39/50/73/634395073.db2.gz XHDFQMBOGOKLNZ-CYBMUJFWSA-N 0 3 201.295 0.268 20 0 BCADHN Cc1cc(N)nc(NCCNc2ccn(C)n2)n1 ZINC000893536573 634578601 /nfs/dbraw/zinc/57/86/01/634578601.db2.gz WIIMHORHJPUKLP-UHFFFAOYSA-N 0 3 247.306 0.625 20 0 BCADHN C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000095246534 635437440 /nfs/dbraw/zinc/43/74/40/635437440.db2.gz KGFNKQCIGDBEJB-BDAKNGLRSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000095246534 635437451 /nfs/dbraw/zinc/43/74/51/635437451.db2.gz KGFNKQCIGDBEJB-BDAKNGLRSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@H](CO)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000095245194 635435964 /nfs/dbraw/zinc/43/59/64/635435964.db2.gz KHFKKJSRJRYRKZ-BDAKNGLRSA-N 0 3 247.302 0.898 20 0 BCADHN C[C@H](CO)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000095245194 635435970 /nfs/dbraw/zinc/43/59/70/635435970.db2.gz KHFKKJSRJRYRKZ-BDAKNGLRSA-N 0 3 247.302 0.898 20 0 BCADHN CO[C@@H](CN)C(=O)N[C@H](C)c1c(C)noc1C ZINC000227390390 635448913 /nfs/dbraw/zinc/44/89/13/635448913.db2.gz NXZUZTWYSUEBMC-MUWHJKNJSA-N 0 3 241.291 0.442 20 0 BCADHN Cc1cc(N2CC[C@H](O)[C@@H](C)C2)nc(N)n1 ZINC000229492692 635473118 /nfs/dbraw/zinc/47/31/18/635473118.db2.gz JIFSOIUPUVAWMT-CBAPKCEASA-N 0 3 222.292 0.574 20 0 BCADHN COCC[C@H](N)C(=O)N[C@H]1CC[C@@H](SC)C1 ZINC000234668876 635559642 /nfs/dbraw/zinc/55/96/42/635559642.db2.gz RZBVIJFFAQDFTF-AEJSXWLSSA-N 0 3 246.376 0.751 20 0 BCADHN CCS(=O)(=O)CCNCCn1ccnc1C ZINC000233821161 635542335 /nfs/dbraw/zinc/54/23/35/635542335.db2.gz DNECUWIPFJFKKI-UHFFFAOYSA-N 0 3 245.348 0.216 20 0 BCADHN C[C@@H]1C[C@H](N[C@@H]2CNOC2)CN1C1CC1 ZINC000925865627 635566719 /nfs/dbraw/zinc/56/67/19/635566719.db2.gz YOJPLFSAJAMTLF-KXUCPTDWSA-N 0 3 211.309 0.105 20 0 BCADHN CCN(CC)C(=O)C[C@@H](C)N[C@@H]1CNOC1 ZINC000925866216 635569270 /nfs/dbraw/zinc/56/92/70/635569270.db2.gz UOYANCWPZPVXPB-NXEZZACHSA-N 0 3 229.324 0.126 20 0 BCADHN CS/C=C/C(=O)N(C)CCN(C)C ZINC000308250396 631221334 /nfs/dbraw/zinc/22/13/34/631221334.db2.gz BHKZEGGMVGNVFJ-VMPITWQZSA-N 0 3 202.323 0.883 20 0 BCADHN C[C@@H](C1CC1)N(CCS(N)(=O)=O)C1CC1 ZINC000077250936 631318174 /nfs/dbraw/zinc/31/81/74/631318174.db2.gz FLTYOHUZAITBGL-QMMMGPOBSA-N 0 3 232.349 0.538 20 0 BCADHN CC(=O)N1CCCN(Cc2cc[nH]c(=O)c2)CC1 ZINC000891537142 631386918 /nfs/dbraw/zinc/38/69/18/631386918.db2.gz ZDEOGLSIQVBUTJ-UHFFFAOYSA-N 0 3 249.314 0.841 20 0 BCADHN CS[C@@H](C)CNC(=O)[C@@H](N)CC1CC1 ZINC000308501018 631401684 /nfs/dbraw/zinc/40/16/84/631401684.db2.gz WKBGNQYSYGEKKA-CBAPKCEASA-N 0 3 216.350 0.982 20 0 BCADHN CC(C)OC[C@H](C)NCCS(C)(=O)=O ZINC000308652025 631466279 /nfs/dbraw/zinc/46/62/79/631466279.db2.gz LGDAUIYUEUVTJR-VIFPVBQESA-N 0 3 223.338 0.434 20 0 BCADHN CCN(CCC(=O)NC)[C@H](C)C(=O)NC1CC1 ZINC000933868968 631538906 /nfs/dbraw/zinc/53/89/06/631538906.db2.gz IBFVFAJMJJVOLG-SECBINFHSA-N 0 3 241.335 0.112 20 0 BCADHN CCCNC(=O)[C@@H](C)N(CC)CCC(=O)NC ZINC000933869062 631539456 /nfs/dbraw/zinc/53/94/56/631539456.db2.gz LFXXJLICOXQKMT-SNVBAGLBSA-N 0 3 243.351 0.359 20 0 BCADHN CSC[C@H](O)CN1CCC[C@@H]1C1OCCO1 ZINC000933899702 631546757 /nfs/dbraw/zinc/54/67/57/631546757.db2.gz DFAQEAXCEDHWBD-NXEZZACHSA-N 0 3 247.360 0.548 20 0 BCADHN CN(C)C(=O)CCN1CCC[C@@H]1C1OCCO1 ZINC000933902857 631547274 /nfs/dbraw/zinc/54/72/74/631547274.db2.gz OHAXGBHVOCQASO-SNVBAGLBSA-N 0 3 242.319 0.302 20 0 BCADHN COc1ccc(CNCCN2CCOCC2)o1 ZINC000893898726 635634765 /nfs/dbraw/zinc/63/47/65/635634765.db2.gz UVFIOXABALZYLP-UHFFFAOYSA-N 0 3 240.303 0.710 20 0 BCADHN COCC[C@@H](N)C(=O)N(C)CCOCC1CC1 ZINC000094988417 631584026 /nfs/dbraw/zinc/58/40/26/631584026.db2.gz VVNKXXCVPZSLRE-LLVKDONJSA-N 0 3 244.335 0.235 20 0 BCADHN OC[C@H]1CCN1C[C@@H](O)CC1CCCC1 ZINC000934015309 631607043 /nfs/dbraw/zinc/60/70/43/631607043.db2.gz WIUBRUXIQSHXQZ-NEPJUHHUSA-N 0 3 213.321 0.994 20 0 BCADHN CC(C)OCC[C@H](O)CN1CC[C@@H]1CO ZINC000934015029 631608017 /nfs/dbraw/zinc/60/80/17/631608017.db2.gz QQDKSTQMHRZONX-MNOVXSKESA-N 0 3 217.309 0.229 20 0 BCADHN OC[C@@H]1CCN1C[C@H](O)Cc1ccccc1 ZINC000934015458 631608491 /nfs/dbraw/zinc/60/84/91/631608491.db2.gz YPUKXTYXCFVRCF-QWHCGFSZSA-N 0 3 221.300 0.657 20 0 BCADHN OC[C@H]1CCN1C[C@H]1CCC2(CCOCC2)O1 ZINC000934016279 631610858 /nfs/dbraw/zinc/61/08/58/631610858.db2.gz SIWXVIQKIIWBQZ-VXGBXAGGSA-N 0 3 241.331 0.781 20 0 BCADHN OC[C@@H]1CCN1C[C@@H](O)CCC1(O)CCC1 ZINC000934015729 631611983 /nfs/dbraw/zinc/61/19/83/631611983.db2.gz QEGOAPIKQXTSNB-QWRGUYRKSA-N 0 3 229.320 0.109 20 0 BCADHN Cn1cncc1CCCN1CC[C@H]1CO ZINC000934019053 631618893 /nfs/dbraw/zinc/61/88/93/631618893.db2.gz LTUDMVYMVQXLTI-NSHDSACASA-N 0 3 209.293 0.419 20 0 BCADHN O=C(CCN1CC[C@H]1CO)N1CCCC1 ZINC000934020172 631620361 /nfs/dbraw/zinc/62/03/61/631620361.db2.gz XLQLWBFGRZIEIO-JTQLQIEISA-N 0 3 212.293 0.066 20 0 BCADHN CC1(C)OC[C@@H](CN2CC[C@@H]2CO)O1 ZINC000934020207 631621313 /nfs/dbraw/zinc/62/13/13/631621313.db2.gz YDHIKTASBBGSHJ-RKDXNWHRSA-N 0 3 201.266 0.205 20 0 BCADHN OC[C@@H]1CCN1C[C@H](O)Cc1ccc(F)cc1 ZINC000934019914 631621603 /nfs/dbraw/zinc/62/16/03/631621603.db2.gz SRWJAPNYZMARMB-QWHCGFSZSA-N 0 3 239.290 0.796 20 0 BCADHN CO[C@@H]1CC[C@@H]1N(C)CCNC(=O)NC(C)C ZINC000934107372 631677724 /nfs/dbraw/zinc/67/77/24/631677724.db2.gz MCJXNOLNBYLLTH-WDEREUQCSA-N 0 3 243.351 0.803 20 0 BCADHN CO[C@H]1CC[C@@H]1N(C)CCn1ccccc1=O ZINC000934113649 631688706 /nfs/dbraw/zinc/68/87/06/631688706.db2.gz DGHSHCQHGCUCFK-RYUDHWBXSA-N 0 3 236.315 0.958 20 0 BCADHN CC[C@@H](O)CCNC(=O)[C@@H](N)CC1CC1 ZINC000308853741 631695062 /nfs/dbraw/zinc/69/50/62/631695062.db2.gz NLPRDMPSYHXTRH-ZJUUUORDSA-N 0 3 214.309 0.391 20 0 BCADHN Cc1cc(N(C)C2CC(O)C2)nc(N)n1 ZINC000308862149 631701035 /nfs/dbraw/zinc/70/10/35/631701035.db2.gz VPAIOIBIDMBARV-UHFFFAOYSA-N 0 3 208.265 0.327 20 0 BCADHN CO[C@@H]1CC[C@H]1N(C)CCN1CCCC1=O ZINC000934127517 631705655 /nfs/dbraw/zinc/70/56/55/631705655.db2.gz VCZSEBBWGRURES-GHMZBOCLSA-N 0 3 226.320 0.718 20 0 BCADHN CO[C@H]1CC[C@@H]1N(C)CCN1CCCC1=O ZINC000934127521 631706291 /nfs/dbraw/zinc/70/62/91/631706291.db2.gz VCZSEBBWGRURES-QWRGUYRKSA-N 0 3 226.320 0.718 20 0 BCADHN C[C@@H](NCCN1CC=CCC1)c1cnnn1C ZINC000926337044 631709275 /nfs/dbraw/zinc/70/92/75/631709275.db2.gz IAVZMXMOFOFDFQ-LLVKDONJSA-N 0 3 235.335 0.728 20 0 BCADHN CNC(=O)CN1CCCSC[C@H]1C ZINC000934297583 631762580 /nfs/dbraw/zinc/76/25/80/631762580.db2.gz IIRJQNXBXJQWLK-MRVPVSSYSA-N 0 3 202.323 0.560 20 0 BCADHN COC[C@@H](NCC(=O)N(C)OC)C(C)C ZINC000308960637 631769137 /nfs/dbraw/zinc/76/91/37/631769137.db2.gz RWOJGTVGWVAARJ-SECBINFHSA-N 0 3 218.297 0.267 20 0 BCADHN CCCN(CC(C)C)C(=O)[C@H](CN)OC ZINC000308998627 631785874 /nfs/dbraw/zinc/78/58/74/631785874.db2.gz KSFVAOTZRIZYNV-JTQLQIEISA-N 0 3 216.325 0.855 20 0 BCADHN Cn1ccsc1=NC(=O)C1CCN(C)CC1 ZINC000255504807 631834558 /nfs/dbraw/zinc/83/45/58/631834558.db2.gz XFFZEYOBPMVKLN-UHFFFAOYSA-N 0 3 239.344 0.856 20 0 BCADHN CCOC[C@@H](O)CN1CCOC[C@@]1(C)C1CC1 ZINC000934481840 631872735 /nfs/dbraw/zinc/87/27/35/631872735.db2.gz LGSPOZILMJEJTD-STQMWFEESA-N 0 3 243.347 0.885 20 0 BCADHN C[C@H](O)[C@H](O)CN1CCOC[C@]1(C)C1CC1 ZINC000934479152 631873120 /nfs/dbraw/zinc/87/31/20/631873120.db2.gz PRCUIIHMHQLCHO-MVWJERBFSA-N 0 3 229.320 0.229 20 0 BCADHN C[C@]1(C2CC2)COCCN1CCc1c[nH]nn1 ZINC000934480336 631873780 /nfs/dbraw/zinc/87/37/80/631873780.db2.gz XURAARWAUAZIET-GFCCVEGCSA-N 0 3 236.319 0.848 20 0 BCADHN CCOC[C@@H](O)CN1CCOC[C@]1(C)C1CC1 ZINC000934481838 631874063 /nfs/dbraw/zinc/87/40/63/631874063.db2.gz LGSPOZILMJEJTD-QWHCGFSZSA-N 0 3 243.347 0.885 20 0 BCADHN Cc1cc(N2C[C@@H](O)C(C)(C)C2)nc(N)n1 ZINC000309247378 631982616 /nfs/dbraw/zinc/98/26/16/631982616.db2.gz CSVMEQGIUOKARE-MRVPVSSYSA-N 0 3 222.292 0.574 20 0 BCADHN CC[C@H]1CN(c2cc(C)nc(N)n2)C[C@H]1O ZINC000309283280 631993411 /nfs/dbraw/zinc/99/34/11/631993411.db2.gz NWAIQRKRSLVKLA-DTWKUNHWSA-N 0 3 222.292 0.574 20 0 BCADHN CC[C@H]1CN(c2cc(C)nc(N)n2)C[C@@H]1O ZINC000309283281 631994555 /nfs/dbraw/zinc/99/45/55/631994555.db2.gz NWAIQRKRSLVKLA-IUCAKERBSA-N 0 3 222.292 0.574 20 0 BCADHN CC[C@H](CN[C@H](C)c1cnnn1C)OC ZINC000926461402 632085547 /nfs/dbraw/zinc/08/55/47/632085547.db2.gz NRZHBSGHVKEAIC-RKDXNWHRSA-N 0 3 212.297 0.891 20 0 BCADHN CC[C@H]1COC[C@@H]1NCC(=O)NC(C)C ZINC000829418995 632111166 /nfs/dbraw/zinc/11/11/66/632111166.db2.gz GSECWCXERTWIJJ-UWVGGRQHSA-N 0 3 214.309 0.526 20 0 BCADHN O=C1NC2(CCC2)C(=O)N1[C@@H]1CCN(C2CC2)C1 ZINC000924884301 635714619 /nfs/dbraw/zinc/71/46/19/635714619.db2.gz BVAVNVNDBMDTDA-SNVBAGLBSA-N 0 3 249.314 0.698 20 0 BCADHN CCn1cnnc1CNc1cc(C)nc(N)n1 ZINC000052281936 632116982 /nfs/dbraw/zinc/11/69/82/632116982.db2.gz IMQZRFQACRZAQF-UHFFFAOYSA-N 0 3 233.279 0.591 20 0 BCADHN CC(C)CCCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924472478 632133309 /nfs/dbraw/zinc/13/33/09/632133309.db2.gz MSASQXIELPHHHT-SNVBAGLBSA-N 0 3 241.335 0.905 20 0 BCADHN COC(=O)/C(C)=C\CNC(=O)[C@H]1CCCN1C ZINC000927973453 635777297 /nfs/dbraw/zinc/77/72/97/635777297.db2.gz DNEMKXGQPDJRQB-ABRRARGCSA-N 0 3 240.303 0.316 20 0 BCADHN CC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)COC ZINC000252033273 632390936 /nfs/dbraw/zinc/39/09/36/632390936.db2.gz ZSEGDVFDJNCNEN-IVZWLZJFSA-N 0 3 216.325 0.914 20 0 BCADHN C[C@H](N)C(=O)NC[C@@H](O)c1c(F)cccc1F ZINC000161759879 632403616 /nfs/dbraw/zinc/40/36/16/632403616.db2.gz FNUZRNDPEHXKDB-IMTBSYHQSA-N 0 3 244.241 0.462 20 0 BCADHN COCC[C@](C)(O)CNCc1cn(C)cn1 ZINC000309490045 632418645 /nfs/dbraw/zinc/41/86/45/632418645.db2.gz ZNMIUGYECKTHMR-NSHDSACASA-N 0 3 227.308 0.297 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H]1CO ZINC000935104321 632449463 /nfs/dbraw/zinc/44/94/63/632449463.db2.gz ZWOZOJSSXNDCEA-NEPJUHHUSA-N 0 3 240.347 0.843 20 0 BCADHN O=C(CN[C@@H](CO)C1CC1)Nc1nccs1 ZINC000309520478 632467933 /nfs/dbraw/zinc/46/79/33/632467933.db2.gz BHHAFDACYRQOGK-QMMMGPOBSA-N 0 3 241.316 0.442 20 0 BCADHN COCC[C@@H](N)C(=O)Nc1ccccc1OC ZINC000052790722 632489409 /nfs/dbraw/zinc/48/94/09/632489409.db2.gz BYSGCQXUTGSMEE-SECBINFHSA-N 0 3 238.287 0.998 20 0 BCADHN COCC[C@@H](N)C(=O)N1Cc2ccccc2C1 ZINC000052810431 632497429 /nfs/dbraw/zinc/49/74/29/632497429.db2.gz SPRMAQRAHJFXAU-GFCCVEGCSA-N 0 3 234.299 0.893 20 0 BCADHN CCO[C@@H]1CCCN(C(=O)[C@H](N)CCOC)C1 ZINC000052810170 632498015 /nfs/dbraw/zinc/49/80/15/632498015.db2.gz OOFZJFODJDFDFI-GHMZBOCLSA-N 0 3 244.335 0.378 20 0 BCADHN COCC[C@@H](N)C(=O)NC(C1CC1)C1CC1 ZINC000052809700 632498136 /nfs/dbraw/zinc/49/81/36/632498136.db2.gz YPNAQCRYPFROEY-SNVBAGLBSA-N 0 3 226.320 0.655 20 0 BCADHN COCC[C@H](N)C(=O)NC(C1CC1)C1CC1 ZINC000052809699 632498204 /nfs/dbraw/zinc/49/82/04/632498204.db2.gz YPNAQCRYPFROEY-JTQLQIEISA-N 0 3 226.320 0.655 20 0 BCADHN CCONC(=O)c1ccc2c(c1)CNC2 ZINC000169153532 632523060 /nfs/dbraw/zinc/52/30/60/632523060.db2.gz HGUNZMKPFCVURJ-UHFFFAOYSA-N 0 3 206.245 0.971 20 0 BCADHN CC(C)[C@](C)(O)CNCc1cn(C)cn1 ZINC000308977620 632603860 /nfs/dbraw/zinc/60/38/60/632603860.db2.gz JAOHERGKTRRUIW-LLVKDONJSA-N 0 3 211.309 0.917 20 0 BCADHN 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ICAPMMMLHGSTLR-UHFFFAOYSA-N 0 3 227.304 0.740 20 0 BCADHN CCN(CCOCCO)c1cc(C)nc(N)n1 ZINC000310244199 636005048 /nfs/dbraw/zinc/00/50/48/636005048.db2.gz UXUKRKZVMBBIQM-UHFFFAOYSA-N 0 3 240.307 0.202 20 0 BCADHN CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H](C)O ZINC001029189232 636010140 /nfs/dbraw/zinc/01/01/40/636010140.db2.gz RZKWKQXDWWKJOL-SDDRHHMPSA-N 0 3 240.347 0.843 20 0 BCADHN CNC(=O)[C@@H]1CCN(Cc2ocnc2C)C1 ZINC000895033019 636017358 /nfs/dbraw/zinc/01/73/58/636017358.db2.gz FDGMUCYRBAZVAF-SECBINFHSA-N 0 3 223.276 0.551 20 0 BCADHN CCCC[C@H](COC)NCC(=O)N(C)OC ZINC000895042288 636019724 /nfs/dbraw/zinc/01/97/24/636019724.db2.gz DSOHUVZHIRJGEE-SNVBAGLBSA-N 0 3 232.324 0.801 20 0 BCADHN C[C@H]1CCN(CCS(N)(=O)=O)[C@H]1C ZINC000307283759 635985903 /nfs/dbraw/zinc/98/59/03/635985903.db2.gz IOWFADDMPUIVNO-YUMQZZPRSA-N 0 3 206.311 0.005 20 0 BCADHN COCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029177895 636001739 /nfs/dbraw/zinc/00/17/39/636001739.db2.gz PSTJFRBFRPNEOP-TXEJJXNPSA-N 0 3 238.331 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BCADHN CN(CC1OCCO1)C[C@@H]1CCOC1 ZINC000182405709 633944807 /nfs/dbraw/zinc/94/48/07/633944807.db2.gz IKKFPIDOVBVWSQ-VIFPVBQESA-N 0 3 201.266 0.328 20 0 BCADHN O[C@@]1(C(F)F)CCN(CCOC2CC2)C1 ZINC000930623892 633946785 /nfs/dbraw/zinc/94/67/85/633946785.db2.gz VSWRVMRQZMADQL-JTQLQIEISA-N 0 3 221.247 0.867 20 0 BCADHN c1nncn1CN(C[C@@H]1CCOC1)C1CC1 ZINC000182571465 633950209 /nfs/dbraw/zinc/95/02/09/633950209.db2.gz NEEFLEJPJYUVDC-JTQLQIEISA-N 0 3 222.292 0.737 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC000309694327 633988735 /nfs/dbraw/zinc/98/87/35/633988735.db2.gz QVCZSIQZLSTHPZ-LLVKDONJSA-N 0 3 222.292 0.131 20 0 BCADHN COC[C@H](NCc1cnc[nH]1)[C@H]1CCCO1 ZINC000309971528 634003579 /nfs/dbraw/zinc/00/35/79/634003579.db2.gz PSRVNTCRYLIPNF-WDEREUQCSA-N 0 3 225.292 0.693 20 0 BCADHN CN1C[C@@H](CCNc2ccncc2CO)CC1=O ZINC000895477900 636150537 /nfs/dbraw/zinc/15/05/37/636150537.db2.gz FDILBHPIYLAJCR-JTQLQIEISA-N 0 3 249.314 0.276 20 0 BCADHN C[C@@H]1CN(CCN2CCN(C)CC2)C[C@@H](C)O1 ZINC000309992280 634050671 /nfs/dbraw/zinc/05/06/71/634050671.db2.gz MBFXSRYHCOYFGP-CHWSQXEVSA-N 0 3 241.379 0.343 20 0 BCADHN CCc1nn(C)cc1CNCC[S@](C)=O ZINC000092395139 634115606 /nfs/dbraw/zinc/11/56/06/634115606.db2.gz NUSCXYAMYGETNE-OAHLLOKOSA-N 0 3 229.349 0.451 20 0 BCADHN C[C@H](O)[C@H](O)CN1CC[C@H](O)CC12CCC2 ZINC000930755813 634090841 /nfs/dbraw/zinc/09/08/41/634090841.db2.gz SLNZMLPYTANCJU-GARJFASQSA-N 0 3 229.320 0.108 20 0 BCADHN COC(=O)[C@@H]1C[C@@H](O)CN(CCOC2CC2)C1 ZINC000930824909 634119569 /nfs/dbraw/zinc/11/95/69/634119569.db2.gz HIISTWHCDQNGFJ-NXEZZACHSA-N 0 3 243.303 0.021 20 0 BCADHN CCN(CC1CC1)CN1C[C@@H](OC)CC1=O ZINC000189131569 634165965 /nfs/dbraw/zinc/16/59/65/634165965.db2.gz QCFAHDACYFGRFC-NSHDSACASA-N 0 3 226.320 0.923 20 0 BCADHN CC(=O)CN1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC000930911114 634173059 /nfs/dbraw/zinc/17/30/59/634173059.db2.gz JVXNEOZDYBYOMD-QNSHHTMESA-N 0 3 212.293 0.550 20 0 BCADHN COC/C(C)=C\CN1CCC(CO)(CO)C1 ZINC000931040012 634193528 /nfs/dbraw/zinc/19/35/28/634193528.db2.gz WBLFGIBRFHFJAP-JYOAFUTRSA-N 0 3 229.320 0.256 20 0 BCADHN CN(CCO)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191928285 634224122 /nfs/dbraw/zinc/22/41/22/634224122.db2.gz OMGAMORMEAPNKH-SECBINFHSA-N 0 3 213.277 0.396 20 0 BCADHN CC(C)(C)OCCNCCS(C)(=O)=O ZINC000053584461 634254789 /nfs/dbraw/zinc/25/47/89/634254789.db2.gz PDTWCFDKXATQIO-UHFFFAOYSA-N 0 3 223.338 0.436 20 0 BCADHN CC[C@@H](O)CN1CCc2c(=O)[nH]n(C)c2C1 ZINC000931193480 634264853 /nfs/dbraw/zinc/26/48/53/634264853.db2.gz AALUOJXDEXPVHI-MRVPVSSYSA-N 0 3 225.292 0.255 20 0 BCADHN CC(=O)N1CC[C@H](CN[C@@H](C)c2cnccn2)C1 ZINC001026630390 634267949 /nfs/dbraw/zinc/26/79/49/634267949.db2.gz LTNDYJZHKDRCSA-CMPLNLGQSA-N 0 3 248.330 0.996 20 0 BCADHN O[C@H](CNC1COCCOC1)c1ccccc1 ZINC000310090101 634320416 /nfs/dbraw/zinc/32/04/16/634320416.db2.gz QMRKYSKXBMEHFQ-CYBMUJFWSA-N 0 3 237.299 0.725 20 0 BCADHN O=C(NC[C@H]1CCCN1CCO)c1ccccc1 ZINC001027729668 635127735 /nfs/dbraw/zinc/12/77/35/635127735.db2.gz 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C/C=C(\C)C(=O)N1CCCN(C[C@H](C)O)CC1 ZINC000980936351 635303847 /nfs/dbraw/zinc/30/38/47/635303847.db2.gz DMYXLWOSEJJHIR-QNCMIEPLSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCCN1CCO ZINC001028076822 635354253 /nfs/dbraw/zinc/35/42/53/635354253.db2.gz YGROGFVBMJJFLZ-DCAQKATOSA-N 0 3 226.320 0.215 20 0 BCADHN CCCN1CCCN(C(=O)c2cn[nH]n2)CC1 ZINC000981534810 635368698 /nfs/dbraw/zinc/36/86/98/635368698.db2.gz IEOSAYAOCMMPRM-UHFFFAOYSA-N 0 3 237.307 0.363 20 0 BCADHN Cn1cnc(/C=C/C(=O)N[C@H]2CCCN(C)C2)c1 ZINC000932070025 635547676 /nfs/dbraw/zinc/54/76/76/635547676.db2.gz FIOGCOYMZNTKNI-FYJFLYSWSA-N 0 3 248.330 0.644 20 0 BCADHN CCO[C@@H]1C[C@@H](N[C@H]2CNOC2)C12CCC2 ZINC000925871556 635582903 /nfs/dbraw/zinc/58/29/03/635582903.db2.gz ZYSKDHDDIXHGSC-HBNTYKKESA-N 0 3 226.320 0.827 20 0 BCADHN COC(=O)CC(C)(C)NCc1cnn(C)c1 ZINC000237134215 635818626 /nfs/dbraw/zinc/81/86/26/635818626.db2.gz RQAOIHURVJYQHB-UHFFFAOYSA-N 0 3 225.292 0.851 20 0 BCADHN C[C@@H](C(=O)N[C@H]1CCN(C)[C@@H]1C)n1cccn1 ZINC000928442320 635944980 /nfs/dbraw/zinc/94/49/80/635944980.db2.gz BBJBRCYJBSEKKL-VWYCJHECSA-N 0 3 236.319 0.653 20 0 BCADHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)cc(=O)[nH]1 ZINC000928443587 635946524 /nfs/dbraw/zinc/94/65/24/635946524.db2.gz ZTWFWIIRIONTFX-ONGXEEELSA-N 0 3 249.314 0.918 20 0 BCADHN CC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H](C)O ZINC001029180898 636003682 /nfs/dbraw/zinc/00/36/82/636003682.db2.gz DEPXJJJAIFMFET-INTQDDNPSA-N 0 3 212.293 0.062 20 0 BCADHN COc1ccc(CNC[C@H]2CCN2C)nc1 ZINC000896592924 636204877 /nfs/dbraw/zinc/20/48/77/636204877.db2.gz FODBFRATIDYMFN-LLVKDONJSA-N 0 3 221.304 0.884 20 0 BCADHN CC[C@@H](C(=O)N(CC)CCC(N)=O)N(C)C ZINC000928822666 636385952 /nfs/dbraw/zinc/38/59/52/636385952.db2.gz NFYVCBIRVFFYQF-VIFPVBQESA-N 0 3 229.324 0.051 20 0 BCADHN CC1(C)C[C@H](O)CN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000870983585 636398578 /nfs/dbraw/zinc/39/85/78/636398578.db2.gz XJPZOIMIXZUTSU-QWRGUYRKSA-N 0 3 240.347 0.733 20 0 BCADHN CC(=O)N1CC[C@@H](NCc2cncn2C)[C@@H]1C ZINC000985834311 636425988 /nfs/dbraw/zinc/42/59/88/636425988.db2.gz UNQOMJVAXPPCHR-JOYOIKCWSA-N 0 3 236.319 0.519 20 0 BCADHN COCC(=O)N1CC[C@H](NCCF)[C@H]1C ZINC000985867474 636436558 /nfs/dbraw/zinc/43/65/58/636436558.db2.gz GOTMNMKJBKDTBG-BDAKNGLRSA-N 0 3 218.272 0.181 20 0 BCADHN C[C@@H]1[C@@H](NCCF)CCN1C(=O)C(F)F ZINC000985863729 636437156 /nfs/dbraw/zinc/43/71/56/636437156.db2.gz SIRHBQIIGLNYBO-RQJHMYQMSA-N 0 3 224.226 0.800 20 0 BCADHN C[C@H]1COC[C@H]1NCc1ccc(C(N)=O)nc1 ZINC000925241240 636488522 /nfs/dbraw/zinc/48/85/22/636488522.db2.gz OCPVRRVROUQVPJ-GZMMTYOYSA-N 0 3 235.287 0.305 20 0 BCADHN C[C@H]1COC[C@@H]1NCc1ccc(C(N)=O)nc1 ZINC000925241243 636488675 /nfs/dbraw/zinc/48/86/75/636488675.db2.gz OCPVRRVROUQVPJ-KWQFWETISA-N 0 3 235.287 0.305 20 0 BCADHN C[C@@H]1[C@@H](NCCF)CCN1C(=O)CC(C)(C)O ZINC000986227885 636547937 /nfs/dbraw/zinc/54/79/37/636547937.db2.gz ADPYCEQZONLWMC-ZJUUUORDSA-N 0 3 246.326 0.696 20 0 BCADHN CC(C)[C@H](C(=O)NC[C@H]1COCO1)N(C)C ZINC000861971926 636612287 /nfs/dbraw/zinc/61/22/87/636612287.db2.gz QPEBYIDQDPNMQO-VHSXEESVSA-N 0 3 230.308 0.062 20 0 BCADHN CON(C)C(=O)[C@@H](C)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000862541939 636629548 /nfs/dbraw/zinc/62/95/48/636629548.db2.gz AASGJZMLBYBXFX-FBIMIBRVSA-N 0 3 242.319 0.552 20 0 BCADHN C[C@H](C(=O)N1CCOCN1)N1[C@H](C)CC[C@H]1C ZINC000928953480 636643201 /nfs/dbraw/zinc/64/32/01/636643201.db2.gz AETXJJUIDAEPKC-GMTAPVOTSA-N 0 3 241.335 0.569 20 0 BCADHN CCCN1CCC[C@@H]1C(=O)N1CCOCN1 ZINC000928954463 636646517 /nfs/dbraw/zinc/64/65/17/636646517.db2.gz JYAQRDQEGBYENK-SNVBAGLBSA-N 0 3 227.308 0.182 20 0 BCADHN C[C@@H]1C[C@@H](NCCF)CN1C(=O)c1ccon1 ZINC000988229757 636683987 /nfs/dbraw/zinc/68/39/87/636683987.db2.gz RUXZBIHMBFNXDC-RKDXNWHRSA-N 0 3 241.266 0.837 20 0 BCADHN CC[C@@H]1NC(=O)N(C[C@@H]2CCCN2C)C1=O ZINC000925290976 636737650 /nfs/dbraw/zinc/73/76/50/636737650.db2.gz GMXDUZVGFGGKIQ-IUCAKERBSA-N 0 3 225.292 0.411 20 0 BCADHN 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CCC[C@@](C)(N)C(=O)N1CCNC(=O)[C@@H]1CC ZINC000110689765 636882219 /nfs/dbraw/zinc/88/22/19/636882219.db2.gz AOYOXEBSKHTNBF-JOYOIKCWSA-N 0 3 241.335 0.241 20 0 BCADHN O[C@H](CN[C@@H]1COC[C@@H]1O)c1ccc(F)cc1 ZINC000323206095 636906904 /nfs/dbraw/zinc/90/69/04/636906904.db2.gz VLINPYQKNOAURC-UTUOFQBUSA-N 0 3 241.262 0.208 20 0 BCADHN CCOCCN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925329373 636924266 /nfs/dbraw/zinc/92/42/66/636924266.db2.gz AHTUNTMPGQBDDP-GHMZBOCLSA-N 0 3 243.351 0.757 20 0 BCADHN CC(C)NC(=O)CCN[C@@H]1C(=O)NCC1(C)C ZINC000924634373 636953466 /nfs/dbraw/zinc/95/34/66/636953466.db2.gz MZLDKOSAXADDQP-SNVBAGLBSA-N 0 3 241.335 0.015 20 0 BCADHN C[C@@H](NC[C@H]1CCCOC1)c1cnn(C)n1 ZINC000924726048 637036929 /nfs/dbraw/zinc/03/69/29/637036929.db2.gz KJRFGPUYZXWCRW-NXEZZACHSA-N 0 3 224.308 0.892 20 0 BCADHN CC[C@@H](C(=O)NC[C@@H]1C[C@@H]1C(=O)OC)N(C)C ZINC000899674104 637108837 /nfs/dbraw/zinc/10/88/37/637108837.db2.gz ZCPYZLZXYGFMDJ-GUBZILKMSA-N 0 3 242.319 0.252 20 0 BCADHN CCN(CC)C(=O)c1ccnn1CCN(C)C ZINC000899914926 637155850 /nfs/dbraw/zinc/15/58/50/637155850.db2.gz NSYNCOOQTCZPOH-UHFFFAOYSA-N 0 3 238.335 0.927 20 0 BCADHN Nc1cnc(CN[C@H]2COC[C@H]2C2CC2)cn1 ZINC000904475767 637425571 /nfs/dbraw/zinc/42/55/71/637425571.db2.gz MAVPZJNAJJFRHJ-QWRGUYRKSA-N 0 3 234.303 0.573 20 0 BCADHN Cn1cncc1Cc1noc([C@@]2(C)CCCN2)n1 ZINC000904648933 637450841 /nfs/dbraw/zinc/45/08/41/637450841.db2.gz MGIRTVUQIAZGKH-GFCCVEGCSA-N 0 3 247.302 0.993 20 0 BCADHN CCC[C@@](C)(N)C(=O)NC(CC)(CC)C(N)=O ZINC000904919328 637525053 /nfs/dbraw/zinc/52/50/53/637525053.db2.gz RAZCTCJUZUNUOG-LLVKDONJSA-N 0 3 243.351 0.664 20 0 BCADHN N[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2O)CC[C@H]1F ZINC000904938292 637537056 /nfs/dbraw/zinc/53/70/56/637537056.db2.gz IEWYUGKYXJRFPO-JLIMGVALSA-N 0 3 230.283 0.045 20 0 BCADHN CO[C@H](C)[C@@H](C)N[C@@H]1CCN(OC)C1=O ZINC000905004678 637541666 /nfs/dbraw/zinc/54/16/66/637541666.db2.gz QUWQDZRVUQVJKY-IWSPIJDZSA-N 0 3 216.281 0.162 20 0 BCADHN CC[C@H](N)c1cn([C@H]2C(=O)OCC2(C)C)nn1 ZINC000905065036 637599802 /nfs/dbraw/zinc/59/98/02/637599802.db2.gz PDGNIIVNEYSUJR-CBAPKCEASA-N 0 3 238.291 0.812 20 0 BCADHN Cc1ncsc1CNC[C@H](O)C1(O)CCC1 ZINC000905092913 637632441 /nfs/dbraw/zinc/63/24/41/637632441.db2.gz HBHGCTNHZBLJEF-JTQLQIEISA-N 0 3 242.344 0.817 20 0 BCADHN C[C@](O)(CN[C@@H]1CC(=O)N(C2CC2)C1)C(F)F ZINC000905145754 637653938 /nfs/dbraw/zinc/65/39/38/637653938.db2.gz DNFRRJMFTAHCMQ-HQJQHLMTSA-N 0 3 248.273 0.355 20 0 BCADHN C[C@@H](CNC[C@](C)(O)C(F)F)S(C)(=O)=O ZINC000905188713 637669789 /nfs/dbraw/zinc/66/97/89/637669789.db2.gz QRNKLHYXWQCGRN-XPUUQOCRSA-N 0 3 245.291 0.025 20 0 BCADHN CC1(C)OCC(NC[C@@H](O)C2(O)CCC2)CO1 ZINC000905208501 637697628 /nfs/dbraw/zinc/69/76/28/637697628.db2.gz KQFFMWAFVBDIDS-SNVBAGLBSA-N 0 3 245.319 0.003 20 0 BCADHN Cn1cncc1CNC[C@H](O)C1(O)CCCC1 ZINC000905259630 637715962 /nfs/dbraw/zinc/71/59/62/637715962.db2.gz HBYNYUNVVXMRBP-NSHDSACASA-N 0 3 239.319 0.176 20 0 BCADHN Cc1cc(CNC[C@@H](O)C2(O)CCC2)ccn1 ZINC000905274320 637732019 /nfs/dbraw/zinc/73/20/19/637732019.db2.gz QCQZOBZKCAYADA-GFCCVEGCSA-N 0 3 236.315 0.756 20 0 BCADHN CC1(C)CN[C@H]1c1nc(C2(N)CC2)no1 ZINC000905325743 637757413 /nfs/dbraw/zinc/75/74/13/637757413.db2.gz XNMOYYGSSVJRAT-LURJTMIESA-N 0 3 208.265 0.688 20 0 BCADHN N[C@H](c1nc(C2(N)CC2)no1)C1CCC1 ZINC000905327716 637759872 /nfs/dbraw/zinc/75/98/72/637759872.db2.gz RHGOJPYRPQTGCE-ZETCQYMHSA-N 0 3 208.265 0.817 20 0 BCADHN CC[C@](O)(CNC[C@](C)(O)CO)C(F)(F)F ZINC000905351758 637771537 /nfs/dbraw/zinc/77/15/37/637771537.db2.gz BPKZLBLYCMDSRW-YUMQZZPRSA-N 0 3 245.241 0.023 20 0 BCADHN CCn1nccc1CNC[C@H](O)C1(O)CCC1 ZINC000905383415 637783985 /nfs/dbraw/zinc/78/39/85/637783985.db2.gz BXVAEQQUOJKCDA-NSHDSACASA-N 0 3 239.319 0.269 20 0 BCADHN CS(=O)(=O)CCNC[C@@H]1CC2(CCC2)CO1 ZINC000905472015 637831211 /nfs/dbraw/zinc/83/12/11/637831211.db2.gz FLSAYDWABSYGIJ-JTQLQIEISA-N 0 3 247.360 0.580 20 0 BCADHN COC(=O)/C(C)=C\CNC[C@H](O)CSC ZINC000905532931 637845348 /nfs/dbraw/zinc/84/53/48/637845348.db2.gz UTNPJZJTMQHUBB-OTOXVQDCSA-N 0 3 233.333 0.419 20 0 BCADHN COC(=O)/C(C)=C\CNC[C@H](O)CC(C)(C)O ZINC000905533123 637847347 /nfs/dbraw/zinc/84/73/47/637847347.db2.gz ZOMZBIWFLKHPNH-HYHWUIIZSA-N 0 3 245.319 0.217 20 0 BCADHN [O-]c1cncc(C[NH2+]C[C@H](O)C2CC2)c1 ZINC000905627279 637861625 /nfs/dbraw/zinc/86/16/25/637861625.db2.gz UURUGZRUDZHAMO-NSHDSACASA-N 0 3 208.261 0.648 20 0 BCADHN O[C@H](CN[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(F)(F)F ZINC000905658284 637872469 /nfs/dbraw/zinc/87/24/69/637872469.db2.gz CESDYTXNLYZUIL-VQDAVSSVSA-N 0 3 237.221 0.675 20 0 BCADHN CCOCCNC(=S)N[C@@H]1CCN(C)[C@@H]1C ZINC000905647291 637881417 /nfs/dbraw/zinc/88/14/17/637881417.db2.gz CKLIRRLURDRIKI-NXEZZACHSA-N 0 3 245.392 0.580 20 0 BCADHN COc1nn(C)cc1CNCC1(O)CCCC1 ZINC000905673703 637884799 /nfs/dbraw/zinc/88/47/99/637884799.db2.gz CQXXJYYFAKJZPX-UHFFFAOYSA-N 0 3 239.319 0.823 20 0 BCADHN O[C@H](CNC/C=C/Cl)CC1(O)CCOCC1 ZINC000905706775 637890788 /nfs/dbraw/zinc/89/07/88/637890788.db2.gz IVYYKZGLCFXUPL-DTWDLQQISA-N 0 3 249.738 0.621 20 0 BCADHN O[C@H](CNC/C=C/Cl)C[C@]1(O)CCOC1 ZINC000905707980 637892127 /nfs/dbraw/zinc/89/21/27/637892127.db2.gz NGWVZKXXGCLXMX-ZNRHVGLYSA-N 0 3 235.711 0.231 20 0 BCADHN COC[C@H](N[C@H]1CCN(OC)C1=O)C1CC1 ZINC000905762925 637918257 /nfs/dbraw/zinc/91/82/57/637918257.db2.gz PFKGLVOUHQTGMG-UWVGGRQHSA-N 0 3 228.292 0.163 20 0 BCADHN CCc1nc(Cn2cc(CNC(C)C)nn2)n[nH]1 ZINC000905811691 637936672 /nfs/dbraw/zinc/93/66/72/637936672.db2.gz LUIOFZCKLDSOEP-UHFFFAOYSA-N 0 3 249.322 0.505 20 0 BCADHN Cc1nc([C@@H](C)n2cc(CNC(C)C)nn2)n[nH]1 ZINC000905813720 637942642 /nfs/dbraw/zinc/94/26/42/637942642.db2.gz VZLXAWDNDXDYSO-MRVPVSSYSA-N 0 3 249.322 0.812 20 0 BCADHN C[C@@H]1COC[C@@H]1N[C@H](Cc1ccccc1)C(N)=O ZINC000905866083 637952995 /nfs/dbraw/zinc/95/29/95/637952995.db2.gz IEQAVSYWESZZTM-RTXFEEFZSA-N 0 3 248.326 0.708 20 0 BCADHN O[C@H](CNCc1cccnc1)C1(O)CCCC1 ZINC000905871912 637957071 /nfs/dbraw/zinc/95/70/71/637957071.db2.gz ZVLRXUFOQXQVDF-GFCCVEGCSA-N 0 3 236.315 0.837 20 0 BCADHN CN1CC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O ZINC000905854654 637964618 /nfs/dbraw/zinc/96/46/18/637964618.db2.gz MJTANFFONLQLPX-STQMWFEESA-N 0 3 247.342 0.377 20 0 BCADHN Cn1cc(CNC[C@@H](O)C2(O)CCCC2)cn1 ZINC000905928237 637977550 /nfs/dbraw/zinc/97/75/50/637977550.db2.gz YYTBIYCFRGOJHY-LLVKDONJSA-N 0 3 239.319 0.176 20 0 BCADHN CCCCOC[C@@H](O)CN1CC(COC)C1 ZINC000905969588 637986579 /nfs/dbraw/zinc/98/65/79/637986579.db2.gz CTYWHFPTBCRODV-LBPRGKRZSA-N 0 3 231.336 0.742 20 0 BCADHN C[C@@H](CO)NC(=O)C(C)(C)N1CCCCC1 ZINC000906051575 638040146 /nfs/dbraw/zinc/04/01/46/638040146.db2.gz RZRGZBBHDXCDEC-JTQLQIEISA-N 0 3 228.336 0.748 20 0 BCADHN C[C@H](CNC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12)N(C)C ZINC000906072404 638043639 /nfs/dbraw/zinc/04/36/39/638043639.db2.gz JWXIPWYYHMYVIC-YKDSUIRESA-N 0 3 224.304 0.278 20 0 BCADHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NC[C@@H]1CCCN1C ZINC000906677078 638232125 /nfs/dbraw/zinc/23/21/25/638232125.db2.gz TYBLIZYVQVESJU-NOOOWODRSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1CCCO1 ZINC000906881676 638259328 /nfs/dbraw/zinc/25/93/28/638259328.db2.gz DNNJSAPAALAAOU-MNOVXSKESA-N 0 3 228.336 0.822 20 0 BCADHN CC[C@H](C(=O)N1C[C@@H](O)[C@@H](CC)C1)N(C)C ZINC000907156468 638313317 /nfs/dbraw/zinc/31/33/17/638313317.db2.gz NSKWAGTXKAALDR-HBNTYKKESA-N 0 3 228.336 0.556 20 0 BCADHN C/C=C\[C@H](O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000907282858 638341926 /nfs/dbraw/zinc/34/19/26/638341926.db2.gz GASBRFKDXYJJCM-CKUGJSDZSA-N 0 3 238.331 0.690 20 0 BCADHN Cn1cnnc1NC(=O)[C@H]1CC[C@H]2CCCCN21 ZINC000907402208 638373877 /nfs/dbraw/zinc/37/38/77/638373877.db2.gz ZFGICHPMELMLJP-NXEZZACHSA-N 0 3 249.318 0.771 20 0 BCADHN CN(CC(=O)N1CCC[C@H]1CCO)C1CCC1 ZINC000907538224 638398018 /nfs/dbraw/zinc/39/80/18/638398018.db2.gz CZKJACQKRRZYOD-LBPRGKRZSA-N 0 3 240.347 0.844 20 0 BCADHN CC[C@@H](C(=O)N1C[C@H]2C[C@@]2(CO)C1)N(C)C ZINC000907610369 638410409 /nfs/dbraw/zinc/41/04/09/638410409.db2.gz GLBVNSXYYBLAQZ-SCVCMEIPSA-N 0 3 226.320 0.167 20 0 BCADHN CC[C@@H](C(=O)N1CC[C@H](C)[C@H]1CO)N(C)C ZINC000907631352 638424343 /nfs/dbraw/zinc/42/43/43/638424343.db2.gz CCNUZUGGVTYQJL-GARJFASQSA-N 0 3 228.336 0.556 20 0 BCADHN CC[C@@H](C(=O)NC[C@H]1CC[C@@H](O)C1)N(C)C ZINC000907673383 638441508 /nfs/dbraw/zinc/44/15/08/638441508.db2.gz BBGJXSMIJLDJDD-AXFHLTTASA-N 0 3 228.336 0.604 20 0 BCADHN CCNC(=O)[C@@H](C)Nc1cc(C)nc(N)n1 ZINC000043533272 638520225 /nfs/dbraw/zinc/52/02/25/638520225.db2.gz SCDRLGPDDOWWNQ-SSDOTTSWSA-N 0 3 223.280 0.304 20 0 BCADHN CC(=O)CSCC(=O)NC1CC(N(C)C)C1 ZINC000908013215 638549061 /nfs/dbraw/zinc/54/90/61/638549061.db2.gz RRXXZEDOIWHSJJ-UHFFFAOYSA-N 0 3 244.360 0.517 20 0 BCADHN Cc1cc(N[C@H](C)C[C@@H](C)O)nc(N)n1 ZINC000165791656 638590656 /nfs/dbraw/zinc/59/06/56/638590656.db2.gz NMYULVWGAZBSAX-HTRCEHHLSA-N 0 3 210.281 0.939 20 0 BCADHN COC(=O)/C(C)=C/CN1CC[C@H]([C@H](C)O)C1 ZINC000165910025 638591437 /nfs/dbraw/zinc/59/14/37/638591437.db2.gz SQFOHTBLXBECJQ-HSHPDBBSSA-N 0 3 227.304 0.808 20 0 BCADHN Cc1cc(N[C@@H](C)C[C@@H](C)O)nc(N)n1 ZINC000165791532 638591510 /nfs/dbraw/zinc/59/15/10/638591510.db2.gz NMYULVWGAZBSAX-POYBYMJQSA-N 0 3 210.281 0.939 20 0 BCADHN COC(=O)/C(C)=C/CN1CC[C@H]([C@@H](C)O)C1 ZINC000165910146 638591563 /nfs/dbraw/zinc/59/15/63/638591563.db2.gz SQFOHTBLXBECJQ-BDMRALOESA-N 0 3 227.304 0.808 20 0 BCADHN C/C(Cl)=C/C(=O)N[C@@H](CO)CN(C)C ZINC000908200314 638606390 /nfs/dbraw/zinc/60/63/90/638606390.db2.gz IQVMQNBLXFMLHP-RBMBQVQZSA-N 0 3 220.700 0.168 20 0 BCADHN CC/C=C(/F)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908201359 638608891 /nfs/dbraw/zinc/60/88/91/638608891.db2.gz FNWCHAZFFBUBTK-QZULDAKNSA-N 0 3 244.310 0.823 20 0 BCADHN C/C(Cl)=C\C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908206577 638608923 /nfs/dbraw/zinc/60/89/23/638608923.db2.gz CUTRILKVZWMCAK-OLKPEBQYSA-N 0 3 246.738 0.702 20 0 BCADHN CC/C(C)=C/C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908202717 638609183 /nfs/dbraw/zinc/60/91/83/638609183.db2.gz JXNBPVALXGJVEV-JATZPVMKSA-N 0 3 240.347 0.916 20 0 BCADHN C/C=C(/C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908205069 638610900 /nfs/dbraw/zinc/61/09/00/638610900.db2.gz VADZAKHZMIHYLS-LBQOUHFTSA-N 0 3 226.320 0.526 20 0 BCADHN C/C=C\C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908208040 638612471 /nfs/dbraw/zinc/61/24/71/638612471.db2.gz LSDKJKILGLMIAI-XJIUSYNZSA-N 0 3 212.293 0.135 20 0 BCADHN Cn1cc(NC(=O)[C@@H]2CC[C@H]3CCCCN32)nn1 ZINC000908321002 638643548 /nfs/dbraw/zinc/64/35/48/638643548.db2.gz QMPYVMONXFBFGK-ZJUUUORDSA-N 0 3 249.318 0.771 20 0 BCADHN C=C=CCNC(=O)c1ccnn1CCN(C)C ZINC000908333563 638654791 /nfs/dbraw/zinc/65/47/91/638654791.db2.gz GQILZSRMWCPZRT-UHFFFAOYSA-N 0 3 234.303 0.516 20 0 BCADHN Cn1cnc(NC(=O)[C@@H]2CC[C@@H]3CCCCN32)n1 ZINC000908377781 638674646 /nfs/dbraw/zinc/67/46/46/638674646.db2.gz OTZXOWMWKCHGPD-UWVGGRQHSA-N 0 3 249.318 0.771 20 0 BCADHN C[C@@H](CF)NC(=O)c1ccnn1CCN(C)C ZINC000908377988 638675420 /nfs/dbraw/zinc/67/54/20/638675420.db2.gz SNACVNAICFSAMT-VIFPVBQESA-N 0 3 242.298 0.533 20 0 BCADHN CCN(CC(C)=O)C(=O)C1CCN(C)CC1 ZINC000908392562 638690737 /nfs/dbraw/zinc/69/07/37/638690737.db2.gz UTXGDDNJPZVWPP-UHFFFAOYSA-N 0 3 226.320 0.766 20 0 BCADHN CN(C)CCn1nccc1C(=O)N1CC2(CC2)C1 ZINC000908518189 638753375 /nfs/dbraw/zinc/75/33/75/638753375.db2.gz BIRVJODNOHUMFK-UHFFFAOYSA-N 0 3 248.330 0.681 20 0 BCADHN CC[C@@H](C(=O)NCC1=CCOCC1)N(C)C ZINC000908543034 639007483 /nfs/dbraw/zinc/00/74/83/639007483.db2.gz SZPHFAWJKXNWDW-NSHDSACASA-N 0 3 226.320 0.790 20 0 BCADHN CC(C)O[N-]C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908570671 639021990 /nfs/dbraw/zinc/02/19/90/639021990.db2.gz UNJOUDHSRRTFND-LLVKDONJSA-N 0 3 230.308 0.289 20 0 BCADHN CC(C)O[N-]C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908570671 639021998 /nfs/dbraw/zinc/02/19/98/639021998.db2.gz UNJOUDHSRRTFND-LLVKDONJSA-N 0 3 230.308 0.289 20 0 BCADHN CC[C@@H](C(=O)NC(C)(C)c1cn[nH]n1)N(C)C ZINC000909720972 639210350 /nfs/dbraw/zinc/21/03/50/639210350.db2.gz FANGUEWNYIVNHO-QMMMGPOBSA-N 0 3 239.323 0.496 20 0 BCADHN C/C=C\[C@H](O)C(=O)N1CCCN(CC)C[C@H]1C ZINC000910265450 639397514 /nfs/dbraw/zinc/39/75/14/639397514.db2.gz HHLBEQGTHXEFME-HIMAVIEDSA-N 0 3 240.347 0.866 20 0 BCADHN CCN1CCCN(C(=O)C2(C)COC2)[C@@H](C)C1 ZINC000910283050 639402933 /nfs/dbraw/zinc/40/29/33/639402933.db2.gz JNRISLKEAGQCHH-NSHDSACASA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](C(=O)N1CCC[C@@H](CO)[C@@H]1C)N(C)C ZINC000910560675 639481656 /nfs/dbraw/zinc/48/16/56/639481656.db2.gz PVAKZVPTHTUBMV-SRVKXCTJSA-N 0 3 242.363 0.946 20 0 BCADHN Cc1cnc(CNC(=O)CN(C)C(C)C)nc1 ZINC000910655858 639495106 /nfs/dbraw/zinc/49/51/06/639495106.db2.gz KQWJHADRJNPOAU-UHFFFAOYSA-N 0 3 236.319 0.741 20 0 BCADHN CCCN(C)CC(=O)NCc1nccc(C)n1 ZINC000911015216 639565610 /nfs/dbraw/zinc/56/56/10/639565610.db2.gz WKRBFBWQSNLYLG-UHFFFAOYSA-N 0 3 236.319 0.743 20 0 BCADHN Cc1ccnc(CNC(=O)CN(C)C(C)C)n1 ZINC000911010424 639566240 /nfs/dbraw/zinc/56/62/40/639566240.db2.gz SMYGIOJPDHMWCH-UHFFFAOYSA-N 0 3 236.319 0.741 20 0 BCADHN C[C@H]1CN=C(NC(=O)C23CCN(CC2)C3)S1 ZINC000911326856 639619612 /nfs/dbraw/zinc/61/96/12/639619612.db2.gz ABFIQHNVBAPMCC-QMMMGPOBSA-N 0 3 239.344 0.690 20 0 BCADHN Cc1ncc(NC(=O)N[C@@H]2CCN(C)[C@H]2C)cn1 ZINC000930205186 639637519 /nfs/dbraw/zinc/63/75/19/639637519.db2.gz HZKNDPRSMQXJHN-GZMMTYOYSA-N 0 3 249.318 0.999 20 0 BCADHN NC(=O)C1(NCCc2cccc(F)c2)CC1 ZINC000930242897 639649306 /nfs/dbraw/zinc/64/93/06/639649306.db2.gz BKJLXTVXGJRPIV-UHFFFAOYSA-N 0 3 222.263 0.976 20 0 BCADHN O[C@H](CN1CC=CCC1)C[C@]1(O)CCOC1 ZINC000930243485 639651582 /nfs/dbraw/zinc/65/15/82/639651582.db2.gz LHEDBYPEEXNGNY-NWDGAFQWSA-N 0 3 227.304 0.151 20 0 BCADHN C[C@@H]1C(=O)N([C@H]2CCN(C)[C@@H](C)C2)C(=O)N1C ZINC000348602891 639652882 /nfs/dbraw/zinc/65/28/82/639652882.db2.gz OAVIARAULDWDIN-AEJSXWLSSA-N 0 3 239.319 0.752 20 0 BCADHN CCCN(C(=O)CCC(N)=O)[C@H]1CCN(C)C1 ZINC000911512034 639658943 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644632600 /nfs/dbraw/zinc/63/26/00/644632600.db2.gz HARWBNUZZXUDJF-DTORHVGOSA-N 0 3 200.282 0.594 20 0 BCADHN CCN(CC(=O)N(C)OC)C[C@H]1CCOC1 ZINC000091540438 644629509 /nfs/dbraw/zinc/62/95/09/644629509.db2.gz OAEGUXGVPOGKOV-SNVBAGLBSA-N 0 3 230.308 0.365 20 0 BCADHN CON(C)C(=O)CN1CCC[C@H]1C(C)(C)O ZINC000091631994 644634139 /nfs/dbraw/zinc/63/41/39/644634139.db2.gz KQIZVSZOYMJHDV-VIFPVBQESA-N 0 3 230.308 0.242 20 0 BCADHN CN1CC[C@@H](NC(=S)NCc2ccon2)C1 ZINC000764453722 644657971 /nfs/dbraw/zinc/65/79/71/644657971.db2.gz GRNBXXIPUMNDAB-SECBINFHSA-N 0 3 240.332 0.343 20 0 BCADHN CC[C@H](CO)C(=O)N(C)CCN(C)C ZINC000779804356 644716921 /nfs/dbraw/zinc/71/69/21/644716921.db2.gz WCVYSKMDEZDWFJ-SECBINFHSA-N 0 3 202.298 0.025 20 0 BCADHN O=C(CCN1C[C@H]2C[C@@]2(CO)C1)C1CC1 ZINC000782603139 644741893 /nfs/dbraw/zinc/74/18/93/644741893.db2.gz GHWXLFDPHPVHDH-PWSUYJOCSA-N 0 3 209.289 0.670 20 0 BCADHN CC(=O)N[C@@H]1[C@H]2CN(Cc3cccnc3C)C[C@H]21 ZINC000957993696 644768198 /nfs/dbraw/zinc/76/81/98/644768198.db2.gz ZMCJGWRSKQSLFG-WDNDVIMCSA-N 0 3 245.326 0.956 20 0 BCADHN CC1(C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000958599630 644814069 /nfs/dbraw/zinc/81/40/69/644814069.db2.gz VKNDZAQHPQDOBP-YTWAJWBKSA-N 0 3 238.331 0.071 20 0 BCADHN Cc1cc(CNC(=O)[C@H](N)CC2CC2)no1 ZINC000304295963 644888012 /nfs/dbraw/zinc/88/80/12/644888012.db2.gz AEWDCPVNKBORNL-SNVBAGLBSA-N 0 3 223.276 0.727 20 0 BCADHN CO[C@@H]1CCCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000304303154 644890046 /nfs/dbraw/zinc/89/00/46/644890046.db2.gz BNSPQVGPOFKVST-MNOVXSKESA-N 0 3 226.320 0.751 20 0 BCADHN N[C@@H](CC1CC1)C(=O)NCCn1cccn1 ZINC000304320948 644891060 /nfs/dbraw/zinc/89/10/60/644891060.db2.gz FUSHXJBVNXCCDM-JTQLQIEISA-N 0 3 222.292 0.127 20 0 BCADHN N[C@H](CC1CC1)C(=O)NC[C@H]1CCCOC1 ZINC000304339174 644893306 /nfs/dbraw/zinc/89/33/06/644893306.db2.gz IQUCYOOFZVATBT-GHMZBOCLSA-N 0 3 226.320 0.657 20 0 BCADHN CC[C@H]1COCCN1C(=O)[C@@H](N)CC1CC1 ZINC000304389856 644899794 /nfs/dbraw/zinc/89/97/94/644899794.db2.gz SSKZAPKMKKDABC-QWRGUYRKSA-N 0 3 226.320 0.751 20 0 BCADHN CCOC(=O)CCNC(=O)[C@@H](N)CC1CC1 ZINC000304387672 644901008 /nfs/dbraw/zinc/90/10/08/644901008.db2.gz SBYCRIMLEJOLLZ-VIFPVBQESA-N 0 3 228.292 0.183 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000304398230 644901199 /nfs/dbraw/zinc/90/11/99/644901199.db2.gz VHYYRMBLLHYOED-AXFHLTTASA-N 0 3 224.304 0.504 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H](N)CC2CC2)[C@H](C)CO1 ZINC000304383668 644901328 /nfs/dbraw/zinc/90/13/28/644901328.db2.gz RGZPFOIDJKSCIR-FXPVBKGRSA-N 0 3 226.320 0.750 20 0 BCADHN CN(Cc1ncc[nH]1)C(=O)[C@@H](N)CC1CC1 ZINC000304415895 644904491 /nfs/dbraw/zinc/90/44/91/644904491.db2.gz YVBALNYRLCXPHQ-VIFPVBQESA-N 0 3 222.292 0.496 20 0 BCADHN CCN(C[C@@H](C)OC)[C@@H]1CCC(=O)NC1=O ZINC000812908903 644935891 /nfs/dbraw/zinc/93/58/91/644935891.db2.gz PHMASAQCDYGFEG-RKDXNWHRSA-N 0 3 228.292 0.148 20 0 BCADHN COCC[C@H](N)C(=O)N1C[C@H](C)C[C@H]1C ZINC000253083651 644936804 /nfs/dbraw/zinc/93/68/04/644936804.db2.gz YBDHDHYRZAVJBF-BBBLOLIVSA-N 0 3 214.309 0.607 20 0 BCADHN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C1(N)CC1 ZINC000818434532 644997242 /nfs/dbraw/zinc/99/72/42/644997242.db2.gz VZHNHEBBGFLFAV-NSHDSACASA-N 0 3 246.314 0.770 20 0 BCADHN CCOC[C@@H](O)CNC[C@@H](OC)C(F)(F)F ZINC000819066768 645003891 /nfs/dbraw/zinc/00/38/91/645003891.db2.gz DLTQKFSPBUHRHS-JGVFFNPUSA-N 0 3 245.241 0.551 20 0 BCADHN C[S@@](=O)CCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000828070207 645093494 /nfs/dbraw/zinc/09/34/94/645093494.db2.gz ABGQWZDDNZFPJC-QLJPJBMISA-N 0 3 241.360 0.968 20 0 BCADHN COC(=O)C[C@H]1CCCN1CC[S@](C)=O ZINC000828089313 645094569 /nfs/dbraw/zinc/09/45/69/645094569.db2.gz ZUYJWIPKVMUBLR-PSLIRLAXSA-N 0 3 233.333 0.392 20 0 BCADHN COC(=O)C[C@@H]1CCCN1CC[S@@](C)=O ZINC000828089312 645095399 /nfs/dbraw/zinc/09/53/99/645095399.db2.gz ZUYJWIPKVMUBLR-BJOHPYRUSA-N 0 3 233.333 0.392 20 0 BCADHN CC/C=C/CN[C@@H]1C(=O)NCC12CCOCC2 ZINC000926517069 645249898 /nfs/dbraw/zinc/24/98/98/645249898.db2.gz ULUUMIBYZAQLOY-PGLGOXFNSA-N 0 3 238.331 0.837 20 0 BCADHN CC[C@H](N[C@@H](C)c1cnnn1C)[C@H](C)O ZINC000926524105 645255958 /nfs/dbraw/zinc/25/59/58/645255958.db2.gz AOPJSRDEUMWFFD-CIUDSAMLSA-N 0 3 212.297 0.625 20 0 BCADHN C[C@@H](NC[C@H](O)C1CCC1)c1cnnn1C ZINC000926554526 645277262 /nfs/dbraw/zinc/27/72/62/645277262.db2.gz ZUDAGHPDSIGLFN-KCJUWKMLSA-N 0 3 224.308 0.627 20 0 BCADHN NCC(=O)NC[C@@H]1COc2ccccc2C1 ZINC000843371199 645285250 /nfs/dbraw/zinc/28/52/50/645285250.db2.gz QIRQJPQUWFJAEU-SECBINFHSA-N 0 3 220.272 0.313 20 0 BCADHN C[C@H]1[C@H](C)OC[C@H]1NCCS(=O)(=O)C1CC1 ZINC000926587051 645302523 /nfs/dbraw/zinc/30/25/23/645302523.db2.gz HEXGGGWMHFHUAL-ATZCPNFKSA-N 0 3 247.360 0.577 20 0 BCADHN C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1cnnn1C ZINC000926599654 645307087 /nfs/dbraw/zinc/30/70/87/645307087.db2.gz HNCRPONUCHKLKO-MRTMQBJTSA-N 0 3 210.281 0.379 20 0 BCADHN COC(=O)CC1(NC/C=C(/C)C(=O)OC)CC1 ZINC000844384558 645325582 /nfs/dbraw/zinc/32/55/82/645325582.db2.gz CXCPFXCVCYIYKS-WTKPLQERSA-N 0 3 241.287 0.791 20 0 BCADHN CC1(C)CNC(=O)[C@H]1NCCOC(F)F ZINC000926695283 645361935 /nfs/dbraw/zinc/36/19/35/645361935.db2.gz ZRFFLLIMOLBTFL-ZCFIWIBFSA-N 0 3 222.235 0.340 20 0 BCADHN C[C@@H](N[C@@H](C)C1(CO)CC1)c1cnnn1C ZINC000926695104 645362218 /nfs/dbraw/zinc/36/22/18/645362218.db2.gz UKOXYRIMLRBCIA-BDAKNGLRSA-N 0 3 224.308 0.627 20 0 BCADHN C[C@H](N[C@H]1C[C@H](O)C12CCC2)c1cnnn1C ZINC000926713481 645374871 /nfs/dbraw/zinc/37/48/71/645374871.db2.gz KLCZRSQBAQPOLY-LSJOCFKGSA-N 0 3 236.319 0.769 20 0 BCADHN Cc1cc(N(C)[C@@H](C)CCO)nc(N)n1 ZINC000845751141 645383979 /nfs/dbraw/zinc/38/39/79/645383979.db2.gz DDRBZIAMVODUKJ-QMMMGPOBSA-N 0 3 210.281 0.574 20 0 BCADHN C[C@H](N[C@@H]1CCOC[C@H]1O)c1ccns1 ZINC000926768596 645415009 /nfs/dbraw/zinc/41/50/09/645415009.db2.gz OLXYWFHTWPOBKG-DJLDLDEBSA-N 0 3 228.317 0.944 20 0 BCADHN C[C@@H](NCC[C@H](O)C(F)F)c1cnnn1C ZINC000926782716 645419854 /nfs/dbraw/zinc/41/98/54/645419854.db2.gz HRVCKOHFDMAPAJ-SVRRBLITSA-N 0 3 234.250 0.482 20 0 BCADHN CC(C)OCCN1CC[C@@H](N2CCOC2=O)C1 ZINC000852429949 645479587 /nfs/dbraw/zinc/47/95/87/645479587.db2.gz CKGKVHJIBWVFAB-LLVKDONJSA-N 0 3 242.319 0.938 20 0 BCADHN COC(=O)CCN1CC[C@@H](N2CCOC2=O)C1 ZINC000852430860 645480524 /nfs/dbraw/zinc/48/05/24/645480524.db2.gz MXZQUXZTFYQJQC-SECBINFHSA-N 0 3 242.275 0.076 20 0 BCADHN COC[C@H](C)N1CC[C@@H](N2CCOC2=O)C1 ZINC000852431390 645480609 /nfs/dbraw/zinc/48/06/09/645480609.db2.gz BGUKYQKWOXMPJJ-VHSXEESVSA-N 0 3 228.292 0.548 20 0 BCADHN O=C1OCCN1[C@@H]1CCN(C[C@H]2CCCO2)C1 ZINC000852431093 645480637 /nfs/dbraw/zinc/48/06/37/645480637.db2.gz PLJKEXCQCYOKFQ-GHMZBOCLSA-N 0 3 240.303 0.692 20 0 BCADHN C[S@](=O)CCN1C[C@]2(C)COC[C@]2(C)C1 ZINC000852459971 645482259 /nfs/dbraw/zinc/48/22/59/645482259.db2.gz JEHWVVRIARFSFG-RWSFTLGLSA-N 0 3 231.361 0.723 20 0 BCADHN CC(C)N1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC000857531928 645601859 /nfs/dbraw/zinc/60/18/59/645601859.db2.gz QEVAMYGNRFJQKO-VIFPVBQESA-N 0 3 237.307 0.359 20 0 BCADHN C[C@@H](Cn1cncn1)NCc1ccnc(F)c1 ZINC000858115994 645670582 /nfs/dbraw/zinc/67/05/82/645670582.db2.gz QHKCJPDMNOYBEB-VIFPVBQESA-N 0 3 235.266 0.991 20 0 BCADHN C[C@@H]1CN(C[C@@H](O)CC2(O)CCC2)CCN1C ZINC000859216041 645678136 /nfs/dbraw/zinc/67/81/36/645678136.db2.gz DFSMMDITPIVPER-NEPJUHHUSA-N 0 3 242.363 0.288 20 0 BCADHN CO[C@H](C)C(=O)OC[C@]1(C)C[C@H](OC)CN1C ZINC000861344117 645690967 /nfs/dbraw/zinc/69/09/67/645690967.db2.gz MKXMGVWKTFHTAG-SCVCMEIPSA-N 0 3 245.319 0.674 20 0 BCADHN CC1=NO[C@H](C(=O)N[C@H]2CCN(C)[C@H]2C)C1 ZINC000928434383 645737591 /nfs/dbraw/zinc/73/75/91/645737591.db2.gz PNWFJMSAQQIFNY-GUBZILKMSA-N 0 3 225.292 0.360 20 0 BCADHN CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928423860 645737655 /nfs/dbraw/zinc/73/76/55/645737655.db2.gz BXKZAKVEIPNFBS-INTQDDNPSA-N 0 3 241.335 0.110 20 0 BCADHN CC[C@H](NC(C)=O)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928423862 645737811 /nfs/dbraw/zinc/73/78/11/645737811.db2.gz BXKZAKVEIPNFBS-MIMYLULJSA-N 0 3 241.335 0.110 20 0 BCADHN Cc1ncc(CC(=O)N[C@@H]2CCN(C)[C@H]2C)o1 ZINC000928425728 645741483 /nfs/dbraw/zinc/74/14/83/645741483.db2.gz KMSRBFXLGHTWAM-GZMMTYOYSA-N 0 3 237.303 0.734 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1C ZINC000928428619 645742821 /nfs/dbraw/zinc/74/28/21/645742821.db2.gz NNFLZOFGKBPUCL-UVOCVTCTSA-N 0 3 224.304 0.088 20 0 BCADHN C[C@H]1[C@H](NC(=O)c2coc(CO)c2)CCN1C ZINC000928429068 645743226 /nfs/dbraw/zinc/74/32/26/645743226.db2.gz AYKIIROHAGXFSK-GZMMTYOYSA-N 0 3 238.287 0.594 20 0 BCADHN Cc1ncc(CC(=O)N[C@H]2CCN(C)[C@@H]2C)o1 ZINC000928425729 645744216 /nfs/dbraw/zinc/74/42/16/645744216.db2.gz KMSRBFXLGHTWAM-KCJUWKMLSA-N 0 3 237.303 0.734 20 0 BCADHN COc1cccnc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928429130 645744279 /nfs/dbraw/zinc/74/42/79/645744279.db2.gz ZXQMDZLLUSZOCJ-VHSXEESVSA-N 0 3 249.314 0.913 20 0 BCADHN Cc1ccnn1CC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928428545 645744507 /nfs/dbraw/zinc/74/45/07/645744507.db2.gz XUYKCXAAOUATEG-WDEREUQCSA-N 0 3 236.319 0.400 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCN1C ZINC000928430937 645748782 /nfs/dbraw/zinc/74/87/82/645748782.db2.gz AMJVLYJJUCDOHP-ZJUUUORDSA-N 0 3 222.292 0.092 20 0 BCADHN Cc1cc(=O)[nH]c(C(=O)N[C@H]2CCN(C)[C@@H]2C)c1 ZINC000928431078 645750027 /nfs/dbraw/zinc/75/00/27/645750027.db2.gz BEPKFALIFKKXSW-ZJUUUORDSA-N 0 3 249.314 0.918 20 0 BCADHN CO[C@H](C(=O)N[C@H]1CCN(C)[C@H]1C)C1CC1 ZINC000928436026 645751957 /nfs/dbraw/zinc/75/19/57/645751957.db2.gz AZOYBFYKMOYYJU-LSJOCFKGSA-N 0 3 226.320 0.620 20 0 BCADHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)nc(C)n1 ZINC000928435940 645754214 /nfs/dbraw/zinc/75/42/14/645754214.db2.gz IAQLTXMTAIMAOI-GXSJLCMTSA-N 0 3 248.330 0.916 20 0 BCADHN COc1ccnc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c1 ZINC000928434266 645754418 /nfs/dbraw/zinc/75/44/18/645754418.db2.gz WEEKJMIGXSNALN-MWLCHTKSSA-N 0 3 249.314 0.913 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2cnc[nH]2)CCN1C ZINC000928449568 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BCADHN Cc1nc(C)c(CN2CC[C@@](C)(O)C2)[nH]1 ZINC000929788104 646317534 /nfs/dbraw/zinc/31/75/34/646317534.db2.gz MNKADMXEFASFPO-LLVKDONJSA-N 0 3 209.293 0.983 20 0 BCADHN COC(=O)/C=C(\C)CN1CC[C@](C)(O)C1 ZINC000929789146 646317708 /nfs/dbraw/zinc/31/77/08/646317708.db2.gz QLOPWBJEFXFOPC-LAHYYIKRSA-N 0 3 213.277 0.562 20 0 BCADHN OC[C@@H](O)CN1CC[C@@H]1c1ccccc1 ZINC000929790183 646319115 /nfs/dbraw/zinc/31/91/15/646319115.db2.gz YJLOTUPPRXJAQO-NWDGAFQWSA-N 0 3 207.273 0.787 20 0 BCADHN OC[C@@H](O)CN1CC[C@H]1c1ccccc1 ZINC000929790184 646319627 /nfs/dbraw/zinc/31/96/27/646319627.db2.gz YJLOTUPPRXJAQO-RYUDHWBXSA-N 0 3 207.273 0.787 20 0 BCADHN C[C@@H](O)[C@H](O)CN(C)CCOCC1CC1 ZINC000929825313 646340837 /nfs/dbraw/zinc/34/08/37/646340837.db2.gz QEOOZQNZRURPNF-MWLCHTKSSA-N 0 3 217.309 0.087 20 0 BCADHN CC(C)(C)OC1CCN(C[C@@H](O)CO)CC1 ZINC000929831343 646346666 /nfs/dbraw/zinc/34/66/66/646346666.db2.gz CTHKILPQDGPYMI-SNVBAGLBSA-N 0 3 231.336 0.619 20 0 BCADHN CC(C)(C)N(CCO[C@H]1CCOC1)CC(N)=O ZINC000929859390 646364063 /nfs/dbraw/zinc/36/40/63/646364063.db2.gz WNNDZZRBUIIVRB-JTQLQIEISA-N 0 3 244.335 0.378 20 0 BCADHN Cn1cnc(CN[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000925671147 646400801 /nfs/dbraw/zinc/40/08/01/646400801.db2.gz BHCJKKCAGFKERV-NWDGAFQWSA-N 0 3 249.362 0.922 20 0 BCADHN CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H](O)C1 ZINC000930035538 646405925 /nfs/dbraw/zinc/40/59/25/646405925.db2.gz OAVGRAKIBRYGQM-RYUDHWBXSA-N 0 3 240.347 0.843 20 0 BCADHN CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)O ZINC000930039365 646406933 /nfs/dbraw/zinc/40/69/33/646406933.db2.gz LIKAWZFAKAWDJF-NXEZZACHSA-N 0 3 214.309 0.356 20 0 BCADHN C[C@@H](O)[C@H](O)CN(C)CCc1nccs1 ZINC000930087752 646418970 /nfs/dbraw/zinc/41/89/70/646418970.db2.gz ROUNHOMANSBJOB-RKDXNWHRSA-N 0 3 230.333 0.359 20 0 BCADHN CCN(CCc1nccs1)C[C@@H](O)[C@H](C)O ZINC000930088767 646420217 /nfs/dbraw/zinc/42/02/17/646420217.db2.gz XVYHBIZNHMFNQV-VHSXEESVSA-N 0 3 244.360 0.749 20 0 BCADHN CCN1CCN(C(COC)COC)C[C@@H]1C ZINC000930084846 646420641 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/nfs/dbraw/zinc/44/62/09/646446209.db2.gz KCANODHGROQBHM-GMSGAONNSA-N 0 3 209.293 0.982 20 0 BCADHN O=C1CCCN1[C@@H]1CCN(CCOC2CC2)C1 ZINC000930125904 646447546 /nfs/dbraw/zinc/44/75/46/646447546.db2.gz HKNOJHPBKRRJGG-LLVKDONJSA-N 0 3 238.331 0.862 20 0 BCADHN CN1CCN(CCO[C@@H]2CCOC2)C(C)(C)C1 ZINC000930147263 646460001 /nfs/dbraw/zinc/46/00/01/646460001.db2.gz QAJLFDIXGKHRBL-GFCCVEGCSA-N 0 3 242.363 0.818 20 0 BCADHN CC(C)C(=O)NCCN(C)CCOC1CC1 ZINC000930158463 646465373 /nfs/dbraw/zinc/46/53/73/646465373.db2.gz PSNALHOTMSAHRR-UHFFFAOYSA-N 0 3 228.336 0.869 20 0 BCADHN C[C@@H]1CN(CCO[C@H]2CCOC2)[C@H](C)CN1C ZINC000930164645 646469652 /nfs/dbraw/zinc/46/96/52/646469652.db2.gz ZNVCFVCJUSNEJF-UPJWGTAASA-N 0 3 242.363 0.816 20 0 BCADHN CN(CCNC(=O)N(C)C)CCOC1CC1 ZINC000930167092 646469757 /nfs/dbraw/zinc/46/97/57/646469757.db2.gz QDMRWFZXLLJWMM-UHFFFAOYSA-N 0 3 229.324 0.368 20 0 BCADHN C[C@@H](N[C@@H]1CCc2nccn2C1)c1cnnn1C ZINC000925814540 646491727 /nfs/dbraw/zinc/49/17/27/646491727.db2.gz NCAUMUCOEHGFGJ-NXEZZACHSA-N 0 3 246.318 0.677 20 0 BCADHN C[C@@H](CC(=O)Nc1ccccc1)N[C@H]1CNOC1 ZINC000925873713 646523382 /nfs/dbraw/zinc/52/33/82/646523382.db2.gz RVFAOEIPGIIWBI-JQWIXIFHSA-N 0 3 249.314 0.897 20 0 BCADHN CC(C)[C@H]1COCC[C@H]1NCc1cn(C)nn1 ZINC000926127553 646580968 /nfs/dbraw/zinc/58/09/68/646580968.db2.gz SRWGGOZKKXWJLF-VXGBXAGGSA-N 0 3 238.335 0.966 20 0 BCADHN CO[C@@]1(CN[C@@H](C)c2ccnnc2)CCOC1 ZINC000926181195 646590530 /nfs/dbraw/zinc/59/05/30/646590530.db2.gz UDQMRHWJFRCVIH-CMPLNLGQSA-N 0 3 237.303 0.933 20 0 BCADHN CC1(C)[C@@H](O)C[C@@H]1N[C@H]1C(=O)NCC1(C)C ZINC000926223066 646597122 /nfs/dbraw/zinc/59/71/22/646597122.db2.gz IVRGWAJWGCZRSG-CIUDSAMLSA-N 0 3 226.320 0.260 20 0 BCADHN C[C@@H]1OC[C@@H](NC[C@H](O)C(F)(F)F)[C@@H]1C ZINC000926264486 646608134 /nfs/dbraw/zinc/60/81/34/646608134.db2.gz CHHUTPLRXHGGID-CWKFCGSDSA-N 0 3 227.226 0.923 20 0 BCADHN CC[C@H]1COC[C@H]1NC[C@H](O)C(F)(F)F ZINC000926268179 646609033 /nfs/dbraw/zinc/60/90/33/646609033.db2.gz GEMVJGDCLGMYFX-RNJXMRFFSA-N 0 3 227.226 0.924 20 0 BCADHN C[C@H]1[C@H](C)OC[C@H]1NC[C@@H](O)C(F)(F)F ZINC000926269984 646610200 /nfs/dbraw/zinc/61/02/00/646610200.db2.gz CHHUTPLRXHGGID-RULNZFCNSA-N 0 3 227.226 0.923 20 0 BCADHN C[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1cnnn1C ZINC000926321185 646616359 /nfs/dbraw/zinc/61/63/59/646616359.db2.gz PYJXHTBHVWFCOV-NGZCFLSTSA-N 0 3 240.307 0.006 20 0 BCADHN C[C@@H](NCc1cnnn1C)C(C)(C)CO ZINC000926431424 646636553 /nfs/dbraw/zinc/63/65/53/646636553.db2.gz DIYJKIJCSAMXJO-MRVPVSSYSA-N 0 3 212.297 0.312 20 0 BCADHN C[C@H](C[C@H]1CCC(=O)N1)N[C@@H]1CCn2ccnc21 ZINC000926498352 646661864 /nfs/dbraw/zinc/66/18/64/646661864.db2.gz DVAZVCFEDDLVHI-GMTAPVOTSA-N 0 3 248.330 0.975 20 0 BCADHN CCS(=O)(=O)CCN[C@H]1CC1(C)C ZINC000045119545 711585693 /nfs/dbraw/zinc/58/56/93/711585693.db2.gz QVZYWAWJCLLMLP-QMMMGPOBSA-N 0 3 205.323 0.809 20 0 BCADHN Cn1cnc(CNCC2(O)CCCC2)c1 ZINC000308836492 711591519 /nfs/dbraw/zinc/59/15/19/711591519.db2.gz LNFUHNSNAMBOPG-UHFFFAOYSA-N 0 3 209.293 0.815 20 0 BCADHN C[C@@H]1C[C@H](N2CC[C@@H](O)[C@@H](F)C2)CCO1 ZINC000934565253 711593801 /nfs/dbraw/zinc/59/38/01/711593801.db2.gz KYRJVWUOYTZMGF-CHWFTXMASA-N 0 3 217.284 0.959 20 0 BCADHN CO[C@@H]1CCOC[C@H]1Nc1cc(C)nc(N)n1 ZINC000724856727 711621482 /nfs/dbraw/zinc/62/14/82/711621482.db2.gz CHRKFDJVAUVMHG-RKDXNWHRSA-N 0 3 238.291 0.583 20 0 BCADHN COC[C@@H](C)NC(=S)N[C@H]1CCCN(C)C1 ZINC000136150098 711687976 /nfs/dbraw/zinc/68/79/76/711687976.db2.gz RRQMVBVZDCTFOX-ZJUUUORDSA-N 0 3 245.392 0.580 20 0 BCADHN CC(C)C(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075554577 711709945 /nfs/dbraw/zinc/70/99/45/711709945.db2.gz KFYWRMWLJYWOFW-WDEREUQCSA-N 0 3 226.320 0.167 20 0 BCADHN C[C@@H]1C[C@H](NCCF)CN1C(=O)c1cc[nH]n1 ZINC000988174705 711792883 /nfs/dbraw/zinc/79/28/83/711792883.db2.gz BJBLOMFVQVADRG-BDAKNGLRSA-N 0 3 240.282 0.572 20 0 BCADHN C[C@@H]1C(=O)N([C@@H]2CCCN(C)C2)C(=O)N1C ZINC000925291593 711795873 /nfs/dbraw/zinc/79/58/73/711795873.db2.gz JAQGDEWIHKZQAF-RKDXNWHRSA-N 0 3 225.292 0.363 20 0 BCADHN CS[C@H](C)CNC(=O)[C@H](N)CC1CC1 ZINC000379514473 711802916 /nfs/dbraw/zinc/80/29/16/711802916.db2.gz WKBGNQYSYGEKKA-VXNVDRBHSA-N 0 3 216.350 0.982 20 0 BCADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076662526 711807239 /nfs/dbraw/zinc/80/72/39/711807239.db2.gz KXGQCVGZLXYERM-GHMZBOCLSA-N 0 3 226.320 0.214 20 0 BCADHN Cn1ccc(CNCC[S@@](C)=O)c1 ZINC000160685097 711809307 /nfs/dbraw/zinc/80/93/07/711809307.db2.gz BEJVBFLHZPRHIZ-ZDUSSCGKSA-N 0 3 200.307 0.493 20 0 BCADHN Cc1cc(N2CCC[C@@](C)(O)C2)nc(N)n1 ZINC000160849163 711809890 /nfs/dbraw/zinc/80/98/90/711809890.db2.gz GJRODSIQSRDRTA-LLVKDONJSA-N 0 3 222.292 0.718 20 0 BCADHN C[C@@H]1C[C@H](N2C(=O)CNC2=O)CCN1C ZINC000226050401 711829913 /nfs/dbraw/zinc/82/99/13/711829913.db2.gz SFZALKSRGWKWTP-HTQZYQBOSA-N 0 3 211.265 0.021 20 0 BCADHN COC[C@H](CCO)Nc1cc(C)nc(N)n1 ZINC000228454780 711834856 /nfs/dbraw/zinc/83/48/56/711834856.db2.gz IRJPFTKCUPZBPG-QMMMGPOBSA-N 0 3 226.280 0.177 20 0 BCADHN OC[C@@H](O)CN1CCCc2sccc2C1 ZINC000929600178 711844150 /nfs/dbraw/zinc/84/41/50/711844150.db2.gz ZOWCEFWCTYGKBU-JTQLQIEISA-N 0 3 227.329 0.850 20 0 BCADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001077518223 711846533 /nfs/dbraw/zinc/84/65/33/711846533.db2.gz RGXSPBYINCSDSX-GWOFURMSSA-N 0 3 226.320 0.212 20 0 BCADHN CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)O ZINC001032380629 711915258 /nfs/dbraw/zinc/91/52/58/711915258.db2.gz TUEUUGJCPPHTFQ-QWRGUYRKSA-N 0 3 240.347 0.841 20 0 BCADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001077730949 711915359 /nfs/dbraw/zinc/91/53/59/711915359.db2.gz AXKFJWLSIOAQKQ-GMTAPVOTSA-N 0 3 238.331 0.358 20 0 BCADHN C[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001032826004 711949181 /nfs/dbraw/zinc/94/91/81/711949181.db2.gz XWIZXBBETPXPJO-GARJFASQSA-N 0 3 240.347 0.604 20 0 BCADHN CCC(=O)N(C)[C@@H]1CCN(CCOC)C1 ZINC001032846018 711962545 /nfs/dbraw/zinc/96/25/45/711962545.db2.gz JVEBTLKXSAISCP-SNVBAGLBSA-N 0 3 214.309 0.576 20 0 BCADHN COCCN1CC[C@H](N(C)C(=O)C2CCC2)C1 ZINC001032854328 711962963 /nfs/dbraw/zinc/96/29/63/711962963.db2.gz ZJAWEHWQBYKSNY-LBPRGKRZSA-N 0 3 240.347 0.966 20 0 BCADHN CCCN1CC[C@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001033218258 711980239 /nfs/dbraw/zinc/98/02/39/711980239.db2.gz WDPTXVQIHCACSY-VIFPVBQESA-N 0 3 237.307 0.361 20 0 BCADHN CCN1CC[C@H](N(C)C(=O)c2n[nH]nc2C)C1 ZINC001033324044 711982353 /nfs/dbraw/zinc/98/23/53/711982353.db2.gz MXKWZOPVGBQTGI-VIFPVBQESA-N 0 3 237.307 0.279 20 0 BCADHN OC[C@@H]1CN(CCOC2CCCCC2)C[C@H]1O ZINC000701332969 712020656 /nfs/dbraw/zinc/02/06/56/712020656.db2.gz USEYXXCZZXHAEQ-WCQYABFASA-N 0 3 243.347 0.621 20 0 BCADHN COC(=O)N(C)CCNCc1cc(C)nn1C ZINC000701901139 712032043 /nfs/dbraw/zinc/03/20/43/712032043.db2.gz ITXAFYSSGSTNOB-UHFFFAOYSA-N 0 3 240.307 0.516 20 0 BCADHN C[C@@H]1CCC[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000702387356 712050027 /nfs/dbraw/zinc/05/00/27/712050027.db2.gz RICKCTPVSNQHGY-KXUCPTDWSA-N 0 3 213.325 0.180 20 0 BCADHN C[C@@H]1SCCN(C(=O)[C@@H](N)CN(C)C)[C@H]1C ZINC000702393695 712050044 /nfs/dbraw/zinc/05/00/44/712050044.db2.gz HNQQTHNOONQQHQ-GUBZILKMSA-N 0 3 245.392 0.228 20 0 BCADHN CN(C)C[C@H](N)C(=O)N(C)c1ccccc1 ZINC000702400033 712050225 /nfs/dbraw/zinc/05/02/25/712050225.db2.gz FOMKMIXDHRHMIW-NSHDSACASA-N 0 3 221.304 0.538 20 0 BCADHN CN(C)C[C@H](N)C(=O)N[C@]1(C)CC1(C)C ZINC000702399954 712050391 /nfs/dbraw/zinc/05/03/91/712050391.db2.gz DDTGSJLUFURQNQ-GZMMTYOYSA-N 0 3 213.325 0.180 20 0 BCADHN C[C@@H]1C[C@@H](C)N(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702381802 712049533 /nfs/dbraw/zinc/04/95/33/712049533.db2.gz USGMNIFKYWNMQN-BBBLOLIVSA-N 0 3 213.325 0.132 20 0 BCADHN CN(C)C[C@H](N)C(=O)Nc1ccc(O)cc1 ZINC000702407282 712051067 /nfs/dbraw/zinc/05/10/67/712051067.db2.gz CQKMEXDYIFHLRT-JTQLQIEISA-N 0 3 223.276 0.220 20 0 BCADHN CS[C@@H]1CC[C@@H]1NCCS(C)(=O)=O ZINC000702407611 712050591 /nfs/dbraw/zinc/05/05/91/712050591.db2.gz TXVBYWHPAHCZBC-JGVFFNPUSA-N 0 3 223.363 0.515 20 0 BCADHN COC[C@H](C)OC(=O)NCCN1CCCC1 ZINC000704405411 712106719 /nfs/dbraw/zinc/10/67/19/712106719.db2.gz UYZQHPWHQPHFLW-JTQLQIEISA-N 0 3 230.308 0.843 20 0 BCADHN CCN1CC[C@H](NC(=O)O[C@H](C)COC)C1 ZINC000704439452 712107985 /nfs/dbraw/zinc/10/79/85/712107985.db2.gz AEFYFRORYZMIOI-ZJUUUORDSA-N 0 3 230.308 0.842 20 0 BCADHN COC[C@H](C)OC(=O)N[C@H]1CCN(C)C1 ZINC000704504527 712111612 /nfs/dbraw/zinc/11/16/12/712111612.db2.gz KBHSDFAZHVHOHR-IUCAKERBSA-N 0 3 216.281 0.452 20 0 BCADHN COCCOC(=O)N1CCN[C@H](C(C)C)C1 ZINC000704756821 712114862 /nfs/dbraw/zinc/11/48/62/712114862.db2.gz PGWCTWVLGUHNLP-JTQLQIEISA-N 0 3 230.308 0.699 20 0 BCADHN CC[C@@H](N)C(=O)NCC[C@H]1CCSC1 ZINC000704786699 712116849 /nfs/dbraw/zinc/11/68/49/712116849.db2.gz IZHBGOVJDPGOOO-DTWKUNHWSA-N 0 3 216.350 0.983 20 0 BCADHN CO[C@@H](CN)C(=O)NC1(CC(C)C)CC1 ZINC000706143568 712140078 /nfs/dbraw/zinc/14/00/78/712140078.db2.gz UZOWXJRFKUSYJJ-VIFPVBQESA-N 0 3 214.309 0.655 20 0 BCADHN CCC[C@@H](CNCCS(C)(=O)=O)OCC ZINC000707845889 712179714 /nfs/dbraw/zinc/17/97/14/712179714.db2.gz YHKADWXZEWIOIN-JTQLQIEISA-N 0 3 237.365 0.826 20 0 BCADHN COC(OC)C(=O)N(C)C[C@@H]1CCCN1C ZINC000709533171 712224121 /nfs/dbraw/zinc/22/41/21/712224121.db2.gz CUJFCUIXQVPHRC-VIFPVBQESA-N 0 3 230.308 0.158 20 0 BCADHN C[C@@H](N[C@H]1CCN(C)C1)c1cn(C)cn1 ZINC000709993017 712238062 /nfs/dbraw/zinc/23/80/62/712238062.db2.gz SOMUASVYDDJQPF-ZJUUUORDSA-N 0 3 208.309 0.775 20 0 BCADHN C[C@H]1COC[C@H]1NCc1cnc(N(C)C)n1C ZINC000710881937 712260751 /nfs/dbraw/zinc/26/07/51/712260751.db2.gz VRSSVYLHFKVMLC-GXSJLCMTSA-N 0 3 238.335 0.611 20 0 BCADHN COC1(OC)CC[C@H]1NCCC(=O)NC(C)C ZINC000710992021 712273062 /nfs/dbraw/zinc/27/30/62/712273062.db2.gz ZYXQMCKYIDWOBB-SNVBAGLBSA-N 0 3 244.335 0.642 20 0 BCADHN CN1CC[C@@](O)(CNc2nccs2)C1 ZINC000606282023 712351161 /nfs/dbraw/zinc/35/11/61/712351161.db2.gz FUSMEPJWFDTOMW-SECBINFHSA-N 0 3 213.306 0.622 20 0 BCADHN COC[C@H](C)NCCS(=O)(=O)C(C)(C)C ZINC000174650643 712354767 /nfs/dbraw/zinc/35/47/67/712354767.db2.gz JZMCCKLFIPAKIL-VIFPVBQESA-N 0 3 237.365 0.824 20 0 BCADHN Cc1cc([C@H](C)N[C@@H]2CC[C@H]2O)n(C)n1 ZINC000378732933 712359966 /nfs/dbraw/zinc/35/99/66/712359966.db2.gz LPZJEQOTKQPWCM-IQJOONFLSA-N 0 3 209.293 0.902 20 0 BCADHN C[C@@H](NCc1cnnn1C)[C@]1(C)CCCO1 ZINC000378866760 712365458 /nfs/dbraw/zinc/36/54/58/712365458.db2.gz CLNHZRAPJXYXTO-KOLCDFICSA-N 0 3 224.308 0.862 20 0 BCADHN CC(C)NC(=O)CN(C)C[C@H]1C[C@]12CCOC2 ZINC000885946939 712379505 /nfs/dbraw/zinc/37/95/05/712379505.db2.gz VOZHEBYIWBSBPO-YPMHNXCESA-N 0 3 240.347 0.869 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccccc1C(N)=O ZINC000036871415 712506888 /nfs/dbraw/zinc/50/68/88/712506888.db2.gz LIHRBKGYAHZJNQ-MRVPVSSYSA-N 0 3 221.260 0.461 20 0 BCADHN CC(C)NC(=O)[C@H](C)NC[C@H]1COC(C)(C)O1 ZINC000715121806 712510550 /nfs/dbraw/zinc/51/05/50/712510550.db2.gz LJENIDCKRLWDOH-UWVGGRQHSA-N 0 3 244.335 0.641 20 0 BCADHN C[C@@H](NCCC1CC(O)C1)c1cn(C)nn1 ZINC000715841194 712532832 /nfs/dbraw/zinc/53/28/32/712532832.db2.gz HUMQLCIEMMVZDR-XNWIYYODSA-N 0 3 224.308 0.627 20 0 BCADHN COCC[C@H](C)N[C@H](C)c1cn(C)nn1 ZINC000715896347 712540801 /nfs/dbraw/zinc/54/08/01/712540801.db2.gz ZHLJOWHMZBEPMO-DTWKUNHWSA-N 0 3 212.297 0.891 20 0 BCADHN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNS(=O)(=O)C1CNC1 ZINC000717034287 712615888 /nfs/dbraw/zinc/61/58/88/712615888.db2.gz LHXBSDGEVNJKOZ-IFFSRLJSSA-N 0 3 244.360 0.170 20 0 BCADHN CC(C)n1cc(CNC[C@H](O)[C@@H](C)O)cn1 ZINC000717310427 712646180 /nfs/dbraw/zinc/64/61/80/712646180.db2.gz WKVAWZWYPLLRSX-KOLCDFICSA-N 0 3 227.308 0.295 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1cc(F)cc(F)c1 ZINC000717356177 712650217 /nfs/dbraw/zinc/65/02/17/712650217.db2.gz XWRDFLZAJQCOFB-HQJQHLMTSA-N 0 3 231.242 0.796 20 0 BCADHN Cc1ncccc1CNC[C@@H](O)[C@@H](C)O ZINC000717361174 712652170 /nfs/dbraw/zinc/65/21/70/712652170.db2.gz TXGCGSAMMIVJIK-MWLCHTKSSA-N 0 3 210.277 0.221 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1cnn(C(C)(C)C)c1 ZINC000717403157 712655542 /nfs/dbraw/zinc/65/55/42/712655542.db2.gz GZCLHVYMWIGKRG-ONGXEEELSA-N 0 3 241.335 0.469 20 0 BCADHN OC/C=C\CN[C@@H]1CCCc2n[nH]cc21 ZINC000717439197 712658000 /nfs/dbraw/zinc/65/80/00/712658000.db2.gz ZRTFNBJDJAXHKO-JWXWKVPASA-N 0 3 207.277 0.925 20 0 BCADHN Cc1ccc(CNC[C@H](O)[C@H](C)O)cn1 ZINC000717427674 712658398 /nfs/dbraw/zinc/65/83/98/712658398.db2.gz MBEYJEDZWWSYEM-ONGXEEELSA-N 0 3 210.277 0.221 20 0 BCADHN COC1(OC)CC[C@@H]1NC/C=C\CO ZINC000717532094 712660614 /nfs/dbraw/zinc/66/06/14/712660614.db2.gz LKGBNEBZIOVSPI-TYRPZCRBSA-N 0 3 201.266 0.276 20 0 BCADHN [O-]c1ccc(C[NH2+]CC2(CO)COC2)cc1F ZINC000717659518 712663575 /nfs/dbraw/zinc/66/35/75/712663575.db2.gz JVGMJOIVLWYOLI-UHFFFAOYSA-N 0 3 241.262 0.630 20 0 BCADHN CC(C)[C@@H]1CN(C(=O)COC2CC2)CCN1 ZINC000717742345 712668588 /nfs/dbraw/zinc/66/85/88/712668588.db2.gz XJJXJGIWWNWGNB-NSHDSACASA-N 0 3 226.320 0.622 20 0 BCADHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccns1)C1CC1 ZINC000717737192 712669326 /nfs/dbraw/zinc/66/93/26/712669326.db2.gz UCYAPGGVAVDTKF-SSDOTTSWSA-N 0 3 247.345 0.159 20 0 BCADHN O=S(=O)([N-]CC[NH2+]C1CC1)c1ccns1 ZINC000717737793 712669366 /nfs/dbraw/zinc/66/93/66/712669366.db2.gz VWMXDGRLIBOEQK-UHFFFAOYSA-N 0 3 247.345 0.173 20 0 BCADHN C[C@@H]1CO[C@H](C(=O)N2CCNC(C)(C)C2)C1 ZINC000718556692 712769793 /nfs/dbraw/zinc/76/97/93/712769793.db2.gz CGTUNXLVJNGXKQ-UWVGGRQHSA-N 0 3 226.320 0.622 20 0 BCADHN C[C@@H]1CCC[C@@H]1NC(=O)c1c(CN)cnn1C ZINC000719244325 712801586 /nfs/dbraw/zinc/80/15/86/712801586.db2.gz LHQJVHNILUGBTF-SCZZXKLOSA-N 0 3 236.319 0.797 20 0 BCADHN C[C@@H]1C[C@@H]1CNC(=O)c1c(CN)cnn1C ZINC000719257050 712802182 /nfs/dbraw/zinc/80/21/82/712802182.db2.gz PZMDSQXBVOBSPT-HTQZYQBOSA-N 0 3 222.292 0.265 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)CCN1C ZINC000719341891 712804882 /nfs/dbraw/zinc/80/48/82/712804882.db2.gz QWIGRNFNFHGCGI-APPZFPTMSA-N 0 3 208.265 0.232 20 0 BCADHN C[C@@H]1[C@@H](Nc2cc(=O)[n-]cn2)CC[N@@H+]1C ZINC000719569643 712810653 /nfs/dbraw/zinc/81/06/53/712810653.db2.gz LEQXIXCWQNDBNP-SFYZADRCSA-N 0 3 208.265 0.687 20 0 BCADHN C[C@@H]1[C@@H](Nc2cc(=O)[n-]cn2)CC[N@H+]1C ZINC000719569643 712810655 /nfs/dbraw/zinc/81/06/55/712810655.db2.gz LEQXIXCWQNDBNP-SFYZADRCSA-N 0 3 208.265 0.687 20 0 BCADHN COc1ccnc(N[C@H]2CCN(C)[C@@H]2C)n1 ZINC000719570612 712810928 /nfs/dbraw/zinc/81/09/28/712810928.db2.gz PALSNHOHRAUXMF-BDAKNGLRSA-N 0 3 222.292 0.990 20 0 BCADHN CNC(=O)CN1CCC[C@H](C(C)(C)O)C1 ZINC000719688651 712821196 /nfs/dbraw/zinc/82/11/96/712821196.db2.gz OWCHLWUNIVPFHF-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN C[C@@H]1C[NH2+]C[C@H]1Cn1cc(Cl)c(=O)[n-]c1=O ZINC000721033181 712887742 /nfs/dbraw/zinc/88/77/42/712887742.db2.gz JCPNCXRFYUDSKF-RQJHMYQMSA-N 0 3 243.694 0.458 20 0 BCADHN CC[C@@H](C)[C@H](CNCCS(C)(=O)=O)OC ZINC000381270659 710615032 /nfs/dbraw/zinc/61/50/32/710615032.db2.gz HRRFHYJFYAACLQ-ZJUUUORDSA-N 0 3 237.365 0.682 20 0 BCADHN Cc1cc(NCCCOC(F)F)nc(N)n1 ZINC000381575156 710657352 /nfs/dbraw/zinc/65/73/52/710657352.db2.gz YDCARWNBMYEONS-UHFFFAOYSA-N 0 3 232.234 0.661 20 0 BCADHN CCc1nc([C@@H](C)NCc2c[nH]cn2)n[nH]1 ZINC000381693750 710670486 /nfs/dbraw/zinc/67/04/86/710670486.db2.gz GZNIZUDFGZLYHG-SSDOTTSWSA-N 0 3 220.280 0.941 20 0 BCADHN CCc1nnc([C@@H](C)NCc2cnc[nH]2)[nH]1 ZINC000381693750 710670489 /nfs/dbraw/zinc/67/04/89/710670489.db2.gz GZNIZUDFGZLYHG-SSDOTTSWSA-N 0 3 220.280 0.941 20 0 BCADHN COc1ccc(N)c(NC(=O)[C@@H](C)N)c1 ZINC000381765855 710706314 /nfs/dbraw/zinc/70/63/14/710706314.db2.gz VEALVHFGOFDTKU-ZCFIWIBFSA-N 0 3 209.249 0.563 20 0 BCADHN CC(C)N1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001038843150 710710095 /nfs/dbraw/zinc/71/00/95/710710095.db2.gz YSCOVRMEEYKHDA-QMMMGPOBSA-N 0 3 223.280 0.017 20 0 BCADHN Fc1cc(N2CCN3CCC2CC3)ncn1 ZINC000722770747 710720879 /nfs/dbraw/zinc/72/08/79/710720879.db2.gz CWKHWXXCSZZBAV-UHFFFAOYSA-N 0 3 222.267 0.900 20 0 BCADHN C[C@@H]1C[C@H](C)CCN(S(=O)(=O)C2CNC2)C1 ZINC000723778975 710731211 /nfs/dbraw/zinc/73/12/11/710731211.db2.gz GWORJPDHOPEFRF-NXEZZACHSA-N 0 3 246.376 0.656 20 0 BCADHN CC[C@@H](N)c1cn(Cc2nn(C)cc2C)nn1 ZINC000724002273 710735307 /nfs/dbraw/zinc/73/53/07/710735307.db2.gz HNKDDKOGSRDPRP-SECBINFHSA-N 0 3 234.307 0.778 20 0 BCADHN C[C@@H]1[C@H](C)OCCN1C(=O)[C@@H](N)CC1CC1 ZINC000380508130 712901290 /nfs/dbraw/zinc/90/12/90/712901290.db2.gz KDYRFUGAGCBJKD-YWVKMMECSA-N 0 3 226.320 0.750 20 0 BCADHN CO[C@@H]1CCOC[C@H]1NC1CSC1 ZINC000724872367 710747832 /nfs/dbraw/zinc/74/78/32/710747832.db2.gz PIVJSNOMZRRUBJ-RKDXNWHRSA-N 0 3 203.307 0.495 20 0 BCADHN CN(C)CCONC(=O)c1cncs1 ZINC000382108408 710785837 /nfs/dbraw/zinc/78/58/37/710785837.db2.gz QKLDBVSONPXSQU-UHFFFAOYSA-N 0 3 215.278 0.366 20 0 BCADHN CN(C)CCONC(=O)c1ccccn1 ZINC000382138760 710799038 /nfs/dbraw/zinc/79/90/38/710799038.db2.gz ZCZIRRYKLOLUHP-UHFFFAOYSA-N 0 3 209.249 0.305 20 0 BCADHN CCN1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001043100078 710804039 /nfs/dbraw/zinc/80/40/39/710804039.db2.gz SVHVWLOLUJEYEY-GFCCVEGCSA-N 0 3 239.363 0.633 20 0 BCADHN CC(C)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001044296858 710823100 /nfs/dbraw/zinc/82/31/00/710823100.db2.gz OJJOBDOFWNCMSW-UHFFFAOYSA-N 0 3 239.363 0.633 20 0 BCADHN CN(C(=O)CN1CCCC1)C1CN(CCF)C1 ZINC001044295112 710823486 /nfs/dbraw/zinc/82/34/86/710823486.db2.gz NAGMYNCBMGWKCD-UHFFFAOYSA-N 0 3 243.326 0.194 20 0 BCADHN C[C@@H]1CC[C@@H](NC(=O)C2CC2)CN1CCCO ZINC001071296545 710843516 /nfs/dbraw/zinc/84/35/16/710843516.db2.gz MBTPFZMPOOTMIP-ZYHUDNBSSA-N 0 3 240.347 0.748 20 0 BCADHN C[C@@]1(NC(=O)c2ccccc2)CCN(CCO)C1 ZINC001046107841 710849848 /nfs/dbraw/zinc/84/98/48/710849848.db2.gz NATYXFMDXLHLBD-CQSZACIVSA-N 0 3 248.326 0.873 20 0 BCADHN CC1(C)C[C@@H]1C(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001046251035 710856796 /nfs/dbraw/zinc/85/67/96/710856796.db2.gz IWXBSEKDIJTNTB-MFKMUULPSA-N 0 3 240.347 0.605 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2cnco2)C1 ZINC001046519656 710860757 /nfs/dbraw/zinc/86/07/57/710860757.db2.gz IUAPDCDWTLJDME-NSHDSACASA-N 0 3 223.276 0.889 20 0 BCADHN CCN1CC[C@](C)(NC(=O)c2csnn2)C1 ZINC001046523324 710861587 /nfs/dbraw/zinc/86/15/87/710861587.db2.gz QZPBZQIVNRENKC-JTQLQIEISA-N 0 3 240.332 0.752 20 0 BCADHN CC(C)C(=O)N[C@H]1CC[C@H](C)N(CCCO)C1 ZINC001071349932 710868658 /nfs/dbraw/zinc/86/86/58/710868658.db2.gz NMANQWLXMQVVFF-RYUDHWBXSA-N 0 3 242.363 0.994 20 0 BCADHN CN(CCCCCO)CC[S@@](C)=O ZINC000399105541 710914103 /nfs/dbraw/zinc/91/41/03/710914103.db2.gz UQEHZSROLQSWAY-CYBMUJFWSA-N 0 3 207.339 0.459 20 0 BCADHN CC(=O)N1C[C@H](C)[C@H](NCc2cnn(C)c2)C1 ZINC001054300977 710925171 /nfs/dbraw/zinc/92/51/71/710925171.db2.gz XCFUIGBZDHBKQM-JOYOIKCWSA-N 0 3 236.319 0.377 20 0 BCADHN CCC(=O)N1C[C@@H](C)[C@@H](NCCF)C1 ZINC001054309117 710926880 /nfs/dbraw/zinc/92/68/80/710926880.db2.gz TYSAGHQSJHKMAI-BDAKNGLRSA-N 0 3 202.273 0.802 20 0 BCADHN C[C@H]1CN(C(=O)C2CC2)C[C@@H]1NCCF ZINC001054311260 710927198 /nfs/dbraw/zinc/92/71/98/710927198.db2.gz KUVOOPNARNABPE-WPRPVWTQSA-N 0 3 214.284 0.802 20 0 BCADHN C[C@H]1CN(C(=O)c2cnco2)C[C@@H]1NCCF ZINC001054946937 710942798 /nfs/dbraw/zinc/94/27/98/710942798.db2.gz TXTREMVGPYWVMT-IUCAKERBSA-N 0 3 241.266 0.694 20 0 BCADHN CCN(CC(=O)N(C)C)C(=O)[C@H](C)NC1CC1 ZINC000382957605 710975895 /nfs/dbraw/zinc/97/58/95/710975895.db2.gz NLGMYOVKURDGOX-VIFPVBQESA-N 0 3 241.335 0.064 20 0 BCADHN COCC[C@@H](N)C(=O)N1CCCOC(C)(C)C1 ZINC000384129044 710989147 /nfs/dbraw/zinc/98/91/47/710989147.db2.gz JEUJPCNDVPKZJN-SNVBAGLBSA-N 0 3 244.335 0.378 20 0 BCADHN COCC[C@H](N)C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000385423298 711013157 /nfs/dbraw/zinc/01/31/57/711013157.db2.gz BAFQHZGSTOMKQB-UWVGGRQHSA-N 0 3 228.336 0.997 20 0 BCADHN COCC[C@H](N)C(=O)N(C)[C@H](C)C1(C)CC1 ZINC000385423304 711013731 /nfs/dbraw/zinc/01/37/31/711013731.db2.gz BAFQHZGSTOMKQB-ZJUUUORDSA-N 0 3 228.336 0.997 20 0 BCADHN CC[C@@H](CCO)CNCc1cn(C)cn1 ZINC000389603534 711082422 /nfs/dbraw/zinc/08/24/22/711082422.db2.gz WMKFIZFGBKBETH-JTQLQIEISA-N 0 3 211.309 0.918 20 0 BCADHN COC(=O)/C(C)=C\CN1CC[C@H](C)[C@@H]1CO ZINC000380776264 712903109 /nfs/dbraw/zinc/90/31/09/712903109.db2.gz ZVSUBYCMZJBNKL-UNTSQOIXSA-N 0 3 227.304 0.808 20 0 BCADHN CO[C@H](CN[C@@H](C)CC(N)=O)C(F)(F)F ZINC000389873806 711095082 /nfs/dbraw/zinc/09/50/82/711095082.db2.gz KNLDVVMNRWJMBR-NTSWFWBYSA-N 0 3 228.214 0.417 20 0 BCADHN CCN1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 ZINC000390028547 711104581 /nfs/dbraw/zinc/10/45/81/711104581.db2.gz YGCDWBKPKMYJCG-NSHDSACASA-N 0 3 249.314 0.209 20 0 BCADHN CCOC(=O)/C=C\CN(C)CCC(=O)NC ZINC000390250072 711109832 /nfs/dbraw/zinc/10/98/32/711109832.db2.gz LGDIMSGENMFMFM-WAYWQWQTSA-N 0 3 228.292 0.174 20 0 BCADHN COC(OC)[C@@H](C)NCc1cc[nH]c(=O)c1 ZINC000392889700 711153528 /nfs/dbraw/zinc/15/35/28/711153528.db2.gz JAGCDXGFNMEIFZ-MRVPVSSYSA-N 0 3 226.276 0.884 20 0 BCADHN O=c1cc(N2CCN(C3CCC3)CC2)nc[nH]1 ZINC000393214584 711156618 /nfs/dbraw/zinc/15/66/18/711156618.db2.gz OWYBPVFRZBSVMI-UHFFFAOYSA-N 0 3 234.303 0.857 20 0 BCADHN Cn1nccc1CCN[C@H]1CCn2ccnc21 ZINC000393322017 711156975 /nfs/dbraw/zinc/15/69/75/711156975.db2.gz HPCCRKXJLPBNSB-NSHDSACASA-N 0 3 231.303 0.894 20 0 BCADHN C[C@@H]([NH3+])CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000393729568 711171763 /nfs/dbraw/zinc/17/17/63/711171763.db2.gz FSSTYTKVCPRHCJ-VXNVDRBHSA-N 0 3 202.254 0.298 20 0 BCADHN C[C@H]1CC[C@@H](NC(=O)C2CC2)CN1CCO ZINC001071297811 711186494 /nfs/dbraw/zinc/18/64/94/711186494.db2.gz XFDCMAKSIPWJGZ-GXSJLCMTSA-N 0 3 226.320 0.358 20 0 BCADHN Cn1nncc1CNC[C@@H](O)CC1CCCC1 ZINC000395075164 711201434 /nfs/dbraw/zinc/20/14/34/711201434.db2.gz NWVBUWJKZHFKOA-LBPRGKRZSA-N 0 3 238.335 0.846 20 0 BCADHN C[C@@H]1C[C@@H](NCCS(C)(=O)=O)[C@@H](C)O1 ZINC000395163063 711203105 /nfs/dbraw/zinc/20/31/05/711203105.db2.gz ODEDWQXXOMQWCX-IWSPIJDZSA-N 0 3 221.322 0.187 20 0 BCADHN C[C@@H]1CC[C@H](NC(=O)C(C)(C)C)CN1CCO ZINC001072015528 711214677 /nfs/dbraw/zinc/21/46/77/711214677.db2.gz DYLVJVSUGWIHOJ-MNOVXSKESA-N 0 3 242.363 0.994 20 0 BCADHN OCCCCCCN1CCC2(C1)OCCO2 ZINC000396453616 711221111 /nfs/dbraw/zinc/22/11/11/711221111.db2.gz FPGKSTIRYYZFBX-UHFFFAOYSA-N 0 3 229.320 0.988 20 0 BCADHN COC(=O)[C@@H](C)CN(C)CC[S@](C)=O ZINC000398798809 711415813 /nfs/dbraw/zinc/41/58/13/711415813.db2.gz ANASOOAYVQPGOS-RTHLEPHNSA-N 0 3 221.322 0.106 20 0 BCADHN CN(CC[S@](C)=O)C[C@H]1CCC[C@@H]1O ZINC000398815397 711415877 /nfs/dbraw/zinc/41/58/77/711415877.db2.gz ALOBMJSKYZMNRV-BFVZDQMLSA-N 0 3 219.350 0.458 20 0 BCADHN CN(C[C@@H]1CCOC1)C(=O)[C@H](N)CC1CC1 ZINC000398868939 711416363 /nfs/dbraw/zinc/41/63/63/711416363.db2.gz OOFMIGWFBPHELU-WDEREUQCSA-N 0 3 226.320 0.609 20 0 BCADHN COC(CN1CCCOC[C@H]1C)OC ZINC000398987175 711417835 /nfs/dbraw/zinc/41/78/35/711417835.db2.gz DTNIZULDABKBEO-SECBINFHSA-N 0 3 203.282 0.716 20 0 BCADHN CCC(O)(CC)CN(C)CC[S@@](C)=O ZINC000399077094 711419617 /nfs/dbraw/zinc/41/96/17/711419617.db2.gz JRXDWMRYHUQWRM-CQSZACIVSA-N 0 3 221.366 0.848 20 0 BCADHN CC(C)C[C@H](O)CNC(=O)[C@H](N)C1CCC1 ZINC000399130054 711422046 /nfs/dbraw/zinc/42/20/46/711422046.db2.gz MZAPNKHNKYOFRV-WDEREUQCSA-N 0 3 228.336 0.637 20 0 BCADHN CC(C)C[C@@H](O)CNC(=O)[C@@H](N)C1CCC1 ZINC000399130051 711422331 /nfs/dbraw/zinc/42/23/31/711422331.db2.gz MZAPNKHNKYOFRV-MNOVXSKESA-N 0 3 228.336 0.637 20 0 BCADHN CCN1CCCO[C@@H](CNC(=O)C2CC2)C1 ZINC001073513259 711440037 /nfs/dbraw/zinc/44/00/37/711440037.db2.gz YBSZTBCXDQHLMR-NSHDSACASA-N 0 3 226.320 0.623 20 0 BCADHN COC[C@H](NCCS(=O)(=O)C(C)C)C1CC1 ZINC000380996046 710597084 /nfs/dbraw/zinc/59/70/84/710597084.db2.gz MOSOCVIDWLGBSH-NSHDSACASA-N 0 3 249.376 0.824 20 0 BCADHN Cc1cc(N[C@H](CO)CC2CC2)nc(N)n1 ZINC000381627753 710664077 /nfs/dbraw/zinc/66/40/77/710664077.db2.gz LVZBXDCHTKYMFD-VIFPVBQESA-N 0 3 222.292 0.192 20 0 BCADHN CCN1CC[C@@](C)(NC(=O)c2cnsn2)C1 ZINC001046167160 710852353 /nfs/dbraw/zinc/85/23/53/710852353.db2.gz VKXPLPXFJQFISX-SNVBAGLBSA-N 0 3 240.332 0.752 20 0 BCADHN CO[C@](C)(CNc1cc(C)nc(N)n1)C1CC1 ZINC000383652132 710984331 /nfs/dbraw/zinc/98/43/31/710984331.db2.gz DSVPRCGGKFIAEW-GFCCVEGCSA-N 0 3 236.319 0.846 20 0 BCADHN CO[C@@](C)(CNc1cc(C)nc(N)n1)C1CC1 ZINC000383652133 710984716 /nfs/dbraw/zinc/98/47/16/710984716.db2.gz DSVPRCGGKFIAEW-LBPRGKRZSA-N 0 3 236.319 0.846 20 0 BCADHN COCC[C@H](N)C(=O)N(CC(F)F)C1CC1 ZINC000386504678 711030803 /nfs/dbraw/zinc/03/08/03/711030803.db2.gz BKXHLTRBXVXYDQ-QMMMGPOBSA-N 0 3 236.262 0.606 20 0 BCADHN Cc1cc(CN[C@H](CO)C2CC2)ncn1 ZINC000389974492 711101800 /nfs/dbraw/zinc/10/18/00/711101800.db2.gz DRSGLHGDDVCUJA-LLVKDONJSA-N 0 3 207.277 0.646 20 0 BCADHN CN(C)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000394383249 711190032 /nfs/dbraw/zinc/19/00/32/711190032.db2.gz DFTKUBZSNCXUNU-ZJUUUORDSA-N 0 3 211.309 0.837 20 0 BCADHN Cc1nccc(C(=O)NOCCN(C)C)n1 ZINC000396885185 711372020 /nfs/dbraw/zinc/37/20/20/711372020.db2.gz LGBXLXLLGACYKX-UHFFFAOYSA-N 0 3 224.264 0.008 20 0 BCADHN C[C@@]1(CNC(=O)[C@H](N)CC2CC2)CCOC1 ZINC000397107001 711376685 /nfs/dbraw/zinc/37/66/85/711376685.db2.gz AEZSMIGBYZSTSB-PWSUYJOCSA-N 0 3 226.320 0.657 20 0 BCADHN CCOC[C@@H](C)NCC(=O)N(C)OC ZINC000397464782 711382825 /nfs/dbraw/zinc/38/28/25/711382825.db2.gz GRXLTPPCJZCLCI-MRVPVSSYSA-N 0 3 204.270 0.021 20 0 BCADHN COC[C@@H](NC(=O)[C@@H](N)CC1CC1)C1CC1 ZINC000397413507 711383301 /nfs/dbraw/zinc/38/33/01/711383301.db2.gz RUEMOCPAGIQIDT-WDEREUQCSA-N 0 3 226.320 0.655 20 0 BCADHN CC(C)[C@H](N)c1cn(Cc2cnsn2)nn1 ZINC000399806947 711434633 /nfs/dbraw/zinc/43/46/33/711434633.db2.gz ZFPRWYFFJBOVSW-VIFPVBQESA-N 0 3 238.320 0.834 20 0 BCADHN CO[C@H](C)CN1CCCO[C@@H](CNC(C)=O)C1 ZINC001073503978 711440574 /nfs/dbraw/zinc/44/05/74/711440574.db2.gz SZQKVSFAFZHWCF-PWSUYJOCSA-N 0 3 244.335 0.248 20 0 BCADHN CCN1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001073734375 711440589 /nfs/dbraw/zinc/44/05/89/711440589.db2.gz TXGITVRVNAEAJP-GRYCIOLGSA-N 0 3 240.347 0.869 20 0 BCADHN CNC(=O)CN[C@H]1CCc2ccccc2OC1 ZINC000493798439 711441484 /nfs/dbraw/zinc/44/14/84/711441484.db2.gz SSDBDFOVBKXEHK-NSHDSACASA-N 0 3 234.299 0.716 20 0 BCADHN COC1(CNCCS(C)(=O)=O)CCC1 ZINC000234620981 711450767 /nfs/dbraw/zinc/45/07/67/711450767.db2.gz BNLQUGPTICIUAK-UHFFFAOYSA-N 0 3 221.322 0.190 20 0 BCADHN CCOC(=O)C[C@@H](O)CN1CC[C@@H](OC)C1 ZINC000233999544 711458007 /nfs/dbraw/zinc/45/80/07/711458007.db2.gz FMNGLKKAWSTJKI-NXEZZACHSA-N 0 3 231.292 0.021 20 0 BCADHN C[C@@H]1C[C@@H](NCc2cnc3n2CCOC3)CO1 ZINC000722827568 711475992 /nfs/dbraw/zinc/47/59/92/711475992.db2.gz PRKZXGWCJFPHIJ-NXEZZACHSA-N 0 3 237.303 0.680 20 0 BCADHN CC[C@@H](CNCc1cnc2n1CCOC2)OC ZINC000722851440 711484857 /nfs/dbraw/zinc/48/48/57/711484857.db2.gz QOOOQOKTFNEDGV-NSHDSACASA-N 0 3 239.319 0.928 20 0 BCADHN CCOCCN[C@H]1C(=O)NCC1(CC)CC ZINC000933286896 711511089 /nfs/dbraw/zinc/51/10/89/711511089.db2.gz RQNHSOGXUABSQX-JTQLQIEISA-N 0 3 228.336 0.917 20 0 BCADHN Cc1cc(NCC[C@@H]2CC(=O)N(C)C2)nc(N)n1 ZINC000723564033 711517714 /nfs/dbraw/zinc/51/77/14/711517714.db2.gz CBIPOTSHHMXGLK-SECBINFHSA-N 0 3 249.318 0.648 20 0 BCADHN CSCCCNC(=O)[C@@H](N)CC1CC1 ZINC000308458210 711522447 /nfs/dbraw/zinc/52/24/47/711522447.db2.gz FKHLQMCDVNIGNA-VIFPVBQESA-N 0 3 216.350 0.983 20 0 BCADHN COC(CN(C)[C@@H]1CC[C@H]1OC)OC ZINC000724145103 711564914 /nfs/dbraw/zinc/56/49/14/711564914.db2.gz HPBZPRARXXAUBE-RKDXNWHRSA-N 0 3 203.282 0.715 20 0 BCADHN O=S(=O)(NCCC1CC=CC1)C1CNC1 ZINC000724179980 711566602 /nfs/dbraw/zinc/56/66/02/711566602.db2.gz MQEXWSWTEUTWID-UHFFFAOYSA-N 0 3 230.333 0.234 20 0 BCADHN CCOC(=O)C[C@H](O)CN(C)[C@@H]1CC[C@@H]1OC ZINC000724222842 711570803 /nfs/dbraw/zinc/57/08/03/711570803.db2.gz CHVGUTSQCVIDQB-AXFHLTTASA-N 0 3 245.319 0.410 20 0 BCADHN C=Cn1cc(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)cn1 ZINC000724555712 711589799 /nfs/dbraw/zinc/58/97/99/711589799.db2.gz XBRKAFKKAMLWFS-AGIUHOORSA-N 0 3 249.314 0.877 20 0 BCADHN CSCC[C@H](N)C(=O)NC[C@H](O)CC(C)C ZINC000161462407 711601464 /nfs/dbraw/zinc/60/14/64/711601464.db2.gz MDXMMCTYICQTNP-ZJUUUORDSA-N 0 3 248.392 0.590 20 0 BCADHN Cn1cncc1CNC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724632480 711601723 /nfs/dbraw/zinc/60/17/23/711601723.db2.gz HJQBSXAGFYESQV-USWWRNFRSA-N 0 3 237.303 0.314 20 0 BCADHN Cn1nccc1CNC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724651847 711605408 /nfs/dbraw/zinc/60/54/08/711605408.db2.gz BGSIHGVEKUZFGW-USWWRNFRSA-N 0 3 237.303 0.314 20 0 BCADHN Cc1nc(C)c(CN2CC[C@@H](CC(N)=O)C2)[nH]1 ZINC000724774765 711612036 /nfs/dbraw/zinc/61/20/36/711612036.db2.gz ALMOPTYSVFYQHP-JTQLQIEISA-N 0 3 236.319 0.724 20 0 BCADHN Cn1ncc(CN[C@H]2CC[C@@H](CO)CC2)n1 ZINC000382289847 711621090 /nfs/dbraw/zinc/62/10/90/711621090.db2.gz KQQLHIJFLVNNJB-AOOOYVTPSA-N 0 3 224.308 0.456 20 0 BCADHN Cn1nccc1CNCCO[C@H]1CCOC1 ZINC000724951667 711633592 /nfs/dbraw/zinc/63/35/92/711633592.db2.gz VODIWPWHZAPTGO-NSHDSACASA-N 0 3 225.292 0.315 20 0 BCADHN CCn1cncc1CN[C@H]1CC12CC(O)C2 ZINC000724950787 711633648 /nfs/dbraw/zinc/63/36/48/711633648.db2.gz DAWSCWJEIUJHCM-CXQJBGSLSA-N 0 3 221.304 0.906 20 0 BCADHN Cc1cnn(C)c1CNCCO[C@@H]1CCOC1 ZINC000724984521 711640276 /nfs/dbraw/zinc/64/02/76/711640276.db2.gz FEAZYAXUTYIQKE-LLVKDONJSA-N 0 3 239.319 0.624 20 0 BCADHN Cn1cnnc1CN[C@@H](CCO)C1CCCC1 ZINC000725113512 711652433 /nfs/dbraw/zinc/65/24/33/711652433.db2.gz HRIMEOLTVBDWAB-NSHDSACASA-N 0 3 238.335 0.846 20 0 BCADHN C[C@@H]1C[C@H](NCCS(C)(=O)=O)[C@@H](C)O1 ZINC000395163061 711692806 /nfs/dbraw/zinc/69/28/06/711692806.db2.gz ODEDWQXXOMQWCX-HLTSFMKQSA-N 0 3 221.322 0.187 20 0 BCADHN C[C@@H]1CN(CCc2cn[nH]n2)Cc2c[nH]nc21 ZINC000931462278 711722563 /nfs/dbraw/zinc/72/25/63/711722563.db2.gz MUXQETPJKQBHAI-MRVPVSSYSA-N 0 3 232.291 0.690 20 0 BCADHN CCN1C[C@@H](NC(=O)c2cn[nH]c2)C(C)(C)C1 ZINC000722281299 711733783 /nfs/dbraw/zinc/73/37/83/711733783.db2.gz DKAIBVYNJGUGBW-SNVBAGLBSA-N 0 3 236.319 0.870 20 0 BCADHN CCN1CCC[C@H](NCC2=CCCOC2)C1=O ZINC000722345476 711742613 /nfs/dbraw/zinc/74/26/13/711742613.db2.gz GQQNQYMXQLLYSU-LBPRGKRZSA-N 0 3 238.331 0.934 20 0 BCADHN CCN1CCC[C@H](Nc2cc(C)nc(N)n2)C1=O ZINC000722357326 711745229 /nfs/dbraw/zinc/74/52/29/711745229.db2.gz PDNUFJYZBHVREQ-VIFPVBQESA-N 0 3 249.318 0.790 20 0 BCADHN CN(CCO)CCNC(=O)/C=C/c1ccccc1 ZINC000925018522 711768557 /nfs/dbraw/zinc/76/85/57/711768557.db2.gz YTAAXXAECKBQLG-BQYQJAHWSA-N 0 3 248.326 0.740 20 0 BCADHN CC(C)(O)[C@@H]1CCN(CC(=O)N2CCC2)C1 ZINC000721797503 711769886 /nfs/dbraw/zinc/76/98/86/711769886.db2.gz FGUKFNBHPRUWSS-SNVBAGLBSA-N 0 3 226.320 0.312 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2cnc3n2CCC3)CCN1C ZINC000928429561 711771937 /nfs/dbraw/zinc/77/19/37/711771937.db2.gz RDELGIHMIJHTFT-UWVGGRQHSA-N 0 3 248.330 0.652 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2cnc3n2CCC3)CCN1C ZINC000928429571 711771945 /nfs/dbraw/zinc/77/19/45/711771945.db2.gz RDELGIHMIJHTFT-ZJUUUORDSA-N 0 3 248.330 0.652 20 0 BCADHN CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C ZINC000928565794 711779222 /nfs/dbraw/zinc/77/92/22/711779222.db2.gz MPBRLNSVSGTXPM-RYUDHWBXSA-N 0 3 239.363 0.681 20 0 BCADHN CCN(CC)CC(=O)NC[C@H](O)CC(C)C ZINC000305070948 711785884 /nfs/dbraw/zinc/78/58/84/711785884.db2.gz OQCUMPABQINLHB-LLVKDONJSA-N 0 3 230.352 0.851 20 0 BCADHN CCNC(=O)CN1CC[C@H](C(C)(C)O)C1 ZINC000721863031 711792031 /nfs/dbraw/zinc/79/20/31/711792031.db2.gz NABSCICFFXLLAP-VIFPVBQESA-N 0 3 214.309 0.215 20 0 BCADHN NC(=O)C[C@@H]1CCN(C/C=C\Cl)C1 ZINC000379353502 711799866 /nfs/dbraw/zinc/79/98/66/711799866.db2.gz FQEPOOKGWZTMRE-CJKINAQCSA-N 0 3 202.685 0.936 20 0 BCADHN CC[C@@H](C(=O)NCC1(C)OCCO1)N(C)C ZINC000179210373 711796303 /nfs/dbraw/zinc/79/63/03/711796303.db2.gz JYJTVVTWTWOWQM-VIFPVBQESA-N 0 3 230.308 0.206 20 0 BCADHN Cc1ncc(C(=O)NC[C@@H]2CCN2CC2CC2)[nH]1 ZINC001038116994 711800729 /nfs/dbraw/zinc/80/07/29/711800729.db2.gz VRTUWRNWRQVJEE-NSHDSACASA-N 0 3 248.330 0.932 20 0 BCADHN Cc1ncc(C(=O)NC[C@H]2CCN2CC2CC2)[nH]1 ZINC001038116991 711800735 /nfs/dbraw/zinc/80/07/35/711800735.db2.gz VRTUWRNWRQVJEE-LLVKDONJSA-N 0 3 248.330 0.932 20 0 BCADHN CN(CC(F)F)C(=O)[C@@H](N)CC1CC1 ZINC000379487565 711802530 /nfs/dbraw/zinc/80/25/30/711802530.db2.gz LFYHKLRWNCKHRD-ZETCQYMHSA-N 0 3 206.236 0.837 20 0 BCADHN C[C@H](C(=O)N1CCN2CC[C@H]1C2)[C@H]1CCCO1 ZINC000908532774 711816954 /nfs/dbraw/zinc/81/69/54/711816954.db2.gz AISLVGXZXCDYCY-SDDRHHMPSA-N 0 3 238.331 0.718 20 0 BCADHN CNC(=O)[C@]1(C)CCN(c2cc(C)nc(N)n2)C1 ZINC000228058069 711833414 /nfs/dbraw/zinc/83/34/14/711833414.db2.gz QNOLTDPBZRQTIL-GFCCVEGCSA-N 0 3 249.318 0.330 20 0 BCADHN CC[C@H](CCO)CNCc1cnccn1 ZINC000087362872 711835074 /nfs/dbraw/zinc/83/50/74/711835074.db2.gz UEDIQGAEMQYZGE-SNVBAGLBSA-N 0 3 209.293 0.975 20 0 BCADHN CCN(CC)C(=O)CNC[C@H](O)COC(C)C ZINC000228810789 711836732 /nfs/dbraw/zinc/83/67/32/711836732.db2.gz FAPKIHGWQSKYEI-NSHDSACASA-N 0 3 246.351 0.230 20 0 BCADHN CO[C@@H]([C@@H](C)NCCS(C)(=O)=O)C1CC1 ZINC000388266276 711859844 /nfs/dbraw/zinc/85/98/44/711859844.db2.gz FMOZDAGLXIGVFG-SCZZXKLOSA-N 0 3 235.349 0.434 20 0 BCADHN CN1CCNC[C@H]1C(=O)N1CCc2ccccc21 ZINC000213269324 711865429 /nfs/dbraw/zinc/86/54/29/711865429.db2.gz MQFVFCYWLYQOIV-ZDUSSCGKSA-N 0 3 245.326 0.479 20 0 BCADHN C[C@@H](O)CN(C)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925335581 711883371 /nfs/dbraw/zinc/88/33/71/711883371.db2.gz OCANXVWVFXLSRM-KXUCPTDWSA-N 0 3 229.324 0.101 20 0 BCADHN NC(=O)C1(NCCc2cccs2)CC1 ZINC000181724234 711892976 /nfs/dbraw/zinc/89/29/76/711892976.db2.gz INYVWPRTTCQOHS-UHFFFAOYSA-N 0 3 210.302 0.898 20 0 BCADHN C[C@@H](N)C(=O)Nc1ccc2c(c1)OCCN2C ZINC000083909134 711921248 /nfs/dbraw/zinc/92/12/48/711921248.db2.gz TWPMQRRXSAPVNZ-MRVPVSSYSA-N 0 3 235.287 0.801 20 0 BCADHN CC(C)C1(O)CN(CC2(O)CCCC2)C1 ZINC000084376828 711924743 /nfs/dbraw/zinc/92/47/43/711924743.db2.gz KXZMRHRKWBVTTP-UHFFFAOYSA-N 0 3 213.321 0.994 20 0 BCADHN C[C@H]1CCCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000085618781 711936913 /nfs/dbraw/zinc/93/69/13/711936913.db2.gz NDUCMHICFQRKAQ-QWRGUYRKSA-N 0 3 226.320 0.623 20 0 BCADHN CCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C1 ZINC001078050806 711939482 /nfs/dbraw/zinc/93/94/82/711939482.db2.gz FOBDWUFZNVLRAD-GHMZBOCLSA-N 0 3 242.363 0.994 20 0 BCADHN C[C@H]1CN(C(=O)C(F)F)C[C@@H]1NCCF ZINC001054308931 711945957 /nfs/dbraw/zinc/94/59/57/711945957.db2.gz OUBRLSREMQHMNM-BQBZGAKWSA-N 0 3 224.226 0.658 20 0 BCADHN OCC1(NCc2cnn(CCF)c2)CCC1 ZINC000921857725 711947104 /nfs/dbraw/zinc/94/71/04/711947104.db2.gz AMMHEYGZWPOEGE-UHFFFAOYSA-N 0 3 227.283 0.857 20 0 BCADHN CO[C@@H](C)CN1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001032829380 711953408 /nfs/dbraw/zinc/95/34/08/711953408.db2.gz MCUPGOFMOXIODK-BJDJZHNGSA-N 0 3 240.347 0.868 20 0 BCADHN C[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001032838886 711958728 /nfs/dbraw/zinc/95/87/28/711958728.db2.gz WGPZBQWYVBMOEE-GWOFURMSSA-N 0 3 226.320 0.214 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC001032907064 711966593 /nfs/dbraw/zinc/96/65/93/711966593.db2.gz PRDRZJPLLUGUKE-LLVKDONJSA-N 0 3 236.319 0.586 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001032930824 711968929 /nfs/dbraw/zinc/96/89/29/711968929.db2.gz HQICBVOFYLIIEY-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN CN(C(=O)[C@@H]1CC1(C)C)[C@@H]1CCN(CCO)C1 ZINC001033016520 711970727 /nfs/dbraw/zinc/97/07/27/711970727.db2.gz CBASTKVHVRXAPO-MNOVXSKESA-N 0 3 240.347 0.558 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2ccc(C)nn2)C1 ZINC001033069972 711973668 /nfs/dbraw/zinc/97/36/68/711973668.db2.gz NAWJQKNBQRZMDS-LLVKDONJSA-N 0 3 248.330 0.951 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001033071899 711974309 /nfs/dbraw/zinc/97/43/09/711974309.db2.gz OFMYDEGOILWUFQ-SECBINFHSA-N 0 3 222.292 0.576 20 0 BCADHN COCCN1CC[C@@H](N(C)C(=O)C2(C)CC2)C1 ZINC001033100571 711975192 /nfs/dbraw/zinc/97/51/92/711975192.db2.gz XIVXPMJBEQQRGA-LLVKDONJSA-N 0 3 240.347 0.966 20 0 BCADHN CC[C@@H](C)CC(=O)N(C)CCN(C)CCO ZINC000701014708 712011582 /nfs/dbraw/zinc/01/15/82/712011582.db2.gz NVZQBBAPGJFLLN-LLVKDONJSA-N 0 3 230.352 0.805 20 0 BCADHN COCCN1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001033330599 711984434 /nfs/dbraw/zinc/98/44/34/711984434.db2.gz HBDWXBSAMVWVOO-TUAOUCFPSA-N 0 3 240.347 0.822 20 0 BCADHN C[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001033331510 711984538 /nfs/dbraw/zinc/98/45/38/711984538.db2.gz DEICVDKMXNLFMF-GMTAPVOTSA-N 0 3 226.320 0.167 20 0 BCADHN COc1cncc(CNC2(CO)CC2)c1 ZINC000700092721 711986130 /nfs/dbraw/zinc/98/61/30/711986130.db2.gz OVVWPYLIOUNJQF-UHFFFAOYSA-N 0 3 208.261 0.705 20 0 BCADHN CCN1CC[C@@H](N(C)C(=O)c2ccnnc2)C1 ZINC001033444803 711991483 /nfs/dbraw/zinc/99/14/83/711991483.db2.gz LMLGBSMDBGKZAW-LLVKDONJSA-N 0 3 234.303 0.643 20 0 BCADHN CN(C(=O)[C@H]1CC12CC2)[C@H]1CCN(CCO)C1 ZINC001033456653 711992445 /nfs/dbraw/zinc/99/24/45/711992445.db2.gz PDFYMKKXWJSTGZ-WDEREUQCSA-N 0 3 238.331 0.312 20 0 BCADHN Cc1cc(N2CC[C@@H](C)[C@H](CO)C2)nc(N)n1 ZINC000700450825 711995045 /nfs/dbraw/zinc/99/50/45/711995045.db2.gz IEFQCKJATFVOSJ-SCZZXKLOSA-N 0 3 236.319 0.822 20 0 BCADHN N[C@@H](CC1CC1)C(=O)N1CCO[C@H](CCF)C1 ZINC000700558665 711997323 /nfs/dbraw/zinc/99/73/23/711997323.db2.gz JRCPTFBVUHKOFP-MNOVXSKESA-N 0 3 244.310 0.701 20 0 BCADHN CC[C@H](C)CC(=O)N(C)CCN(C)CCO ZINC000701014709 712011565 /nfs/dbraw/zinc/01/15/65/712011565.db2.gz NVZQBBAPGJFLLN-NSHDSACASA-N 0 3 230.352 0.805 20 0 BCADHN CC(C)CC(=O)N(C)CCN(C)CCO ZINC000701123488 712016210 /nfs/dbraw/zinc/01/62/10/712016210.db2.gz UPDJFWRGYWPKRT-UHFFFAOYSA-N 0 3 216.325 0.415 20 0 BCADHN C[C@@H]1CN(C(=O)/C=C/c2cnn(C)c2)[C@@H](C)CN1 ZINC000701388914 712022047 /nfs/dbraw/zinc/02/20/47/712022047.db2.gz RWHRISDTUXJBID-ZJRFNNFUSA-N 0 3 248.330 0.642 20 0 BCADHN CCS(=O)(=O)CCNC[C@@H]1CCC[C@H](C)O1 ZINC000701492566 712025191 /nfs/dbraw/zinc/02/51/91/712025191.db2.gz GKUSRGMSSYZFJF-QWRGUYRKSA-N 0 3 249.376 0.968 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCCc1ccccc1 ZINC000702340958 712045108 /nfs/dbraw/zinc/04/51/08/712045108.db2.gz KQWULXBQENXELC-ZDUSSCGKSA-N 0 3 249.358 0.624 20 0 BCADHN Cn1ncc(Cn2cc([C@H](N)C(C)(C)C)nn2)n1 ZINC000702280563 712045298 /nfs/dbraw/zinc/04/52/98/712045298.db2.gz HMVOXQFVOCDCBT-JTQLQIEISA-N 0 3 249.322 0.501 20 0 BCADHN Cc1cc(C)cc(CNC(=O)[C@@H](N)CN(C)C)c1 ZINC000702352820 712046275 /nfs/dbraw/zinc/04/62/75/712046275.db2.gz SXTGKVFDERXVCE-ZDUSSCGKSA-N 0 3 249.358 0.809 20 0 BCADHN CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H](N)CN(C)C ZINC000702353806 712046536 /nfs/dbraw/zinc/04/65/36/712046536.db2.gz VRLQUNDRRKOVHV-AXFHLTTASA-N 0 3 227.352 0.522 20 0 BCADHN C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702330715 712046880 /nfs/dbraw/zinc/04/68/80/712046880.db2.gz VTAKPUNBIGBJFT-MXWKQRLJSA-N 0 3 227.352 0.522 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCC1CCCCC1 ZINC000702330655 712047020 /nfs/dbraw/zinc/04/70/20/712047020.db2.gz VBEYHNLMJTUIAY-NSHDSACASA-N 0 3 227.352 0.572 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCC1CCCC1 ZINC000702330271 712047127 /nfs/dbraw/zinc/04/71/27/712047127.db2.gz SKXMGBSOSCQKMS-NSHDSACASA-N 0 3 227.352 0.572 20 0 BCADHN CC(C)[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702329110 712047231 /nfs/dbraw/zinc/04/72/31/712047231.db2.gz IEIKEWKOIXQKAY-MNOVXSKESA-N 0 3 227.352 0.380 20 0 BCADHN CC[C@@H](C)CN(CC)C(=O)[C@@H](N)CN(C)C ZINC000702370645 712049166 /nfs/dbraw/zinc/04/91/66/712049166.db2.gz HSTOVXYJPMACHL-MNOVXSKESA-N 0 3 229.368 0.770 20 0 BCADHN CCC(CC)(CC)NC(=O)[C@@H](N)CN(C)C ZINC000702372223 712049436 /nfs/dbraw/zinc/04/94/36/712049436.db2.gz XGXSWGUTZJVMEK-JTQLQIEISA-N 0 3 229.368 0.960 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC1(C)CCCC1 ZINC000702384471 712049550 /nfs/dbraw/zinc/04/95/50/712049550.db2.gz JCKRDNCUVCIASR-VIFPVBQESA-N 0 3 213.325 0.324 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC1CCCCC1 ZINC000702385419 712049618 /nfs/dbraw/zinc/04/96/18/712049618.db2.gz LPIZFFWIUXVTQS-JTQLQIEISA-N 0 3 213.325 0.324 20 0 BCADHN CC[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702377269 712049643 /nfs/dbraw/zinc/04/96/43/712049643.db2.gz FIBHEGSMUJLJBF-ZJUUUORDSA-N 0 3 213.325 0.134 20 0 BCADHN CN(C)C[C@H](N)C(=O)NC[C@@]1(C)CCCS1 ZINC000702395870 712049881 /nfs/dbraw/zinc/04/98/81/712049881.db2.gz YOYJLMBGSBGECF-GXSJLCMTSA-N 0 3 245.392 0.277 20 0 BCADHN C[C@@H]1CCCCN1C(=O)[C@@H](N)CN(C)C ZINC000702387383 712049919 /nfs/dbraw/zinc/04/99/19/712049919.db2.gz RUYOQKVDNZPKGN-ZJUUUORDSA-N 0 3 213.325 0.276 20 0 BCADHN CSCC[C@@H](C)N(C)C(=O)[C@@H](N)CN(C)C ZINC000702395199 712050137 /nfs/dbraw/zinc/05/01/37/712050137.db2.gz SICOLNFCBPFDNB-ZJUUUORDSA-N 0 3 247.408 0.475 20 0 BCADHN CN(C)C[C@H](N)C(=O)NCCC1(C)CC1 ZINC000702400815 712050831 /nfs/dbraw/zinc/05/08/31/712050831.db2.gz ILRNPBRTQIQBDA-VIFPVBQESA-N 0 3 213.325 0.182 20 0 BCADHN Cc1ccnc(NC(=O)[C@@H](N)CN(C)C)c1 ZINC000702409901 712051012 /nfs/dbraw/zinc/05/10/12/712051012.db2.gz SICOLLOYAVRIBR-VIFPVBQESA-N 0 3 222.292 0.217 20 0 BCADHN Cc1cccc(NC(=O)[C@@H](N)CN(C)C)c1 ZINC000702411623 712051798 /nfs/dbraw/zinc/05/17/98/712051798.db2.gz WWWYWRYCBOUSFM-NSHDSACASA-N 0 3 221.304 0.822 20 0 BCADHN Cc1ccc(CN(C)C(=O)[C@@H](N)CN(C)C)cc1 ZINC000702418337 712052328 /nfs/dbraw/zinc/05/23/28/712052328.db2.gz BIQACEASFBFPMD-ZDUSSCGKSA-N 0 3 249.358 0.842 20 0 BCADHN CO[C@@](C)(CO)CNCc1cnn2ccccc12 ZINC000702530919 712054226 /nfs/dbraw/zinc/05/42/26/712054226.db2.gz BIUATYGLMPVKHA-CYBMUJFWSA-N 0 3 249.314 0.821 20 0 BCADHN COCC(COC)NCc1cc[nH]c(=O)c1 ZINC000702629496 712057044 /nfs/dbraw/zinc/05/70/44/712057044.db2.gz HZKAPFHAUMJEQS-UHFFFAOYSA-N 0 3 226.276 0.538 20 0 BCADHN CO[C@@H](CN)C(=O)N1CCCC(F)(F)CC1 ZINC000702811721 712061683 /nfs/dbraw/zinc/06/16/83/712061683.db2.gz MUOFTPORNQIBCV-QMMMGPOBSA-N 0 3 236.262 0.608 20 0 BCADHN CCOC[C@@H]1CCN(Cc2ccc(N)nn2)C1 ZINC000703926137 712095042 /nfs/dbraw/zinc/09/50/42/712095042.db2.gz IFVFWNYHMUFSKX-SNVBAGLBSA-N 0 3 236.319 0.917 20 0 BCADHN CN(Cc1ccc(N)nn1)C[C@H]1CCC[C@H]1O ZINC000703932067 712095080 /nfs/dbraw/zinc/09/50/80/712095080.db2.gz GYMJBUCFCDQZJM-MWLCHTKSSA-N 0 3 236.319 0.652 20 0 BCADHN C[C@@H]1CCN(C[C@H]2CNC(=O)O2)C[C@H]1CO ZINC000704000587 712095792 /nfs/dbraw/zinc/09/57/92/712095792.db2.gz PAUKYIIVICGXDD-KXUCPTDWSA-N 0 3 228.292 0.045 20 0 BCADHN Nc1ccc(CN2CC[C@@]3(CCOC3)C2)nn1 ZINC000703972889 712097005 /nfs/dbraw/zinc/09/70/05/712097005.db2.gz CAYUGVCDSCRUHT-GFCCVEGCSA-N 0 3 234.303 0.671 20 0 BCADHN CC(C)CN1CCN(Cc2ccc(N)nn2)CC1 ZINC000703978236 712097882 /nfs/dbraw/zinc/09/78/82/712097882.db2.gz UGNFOYGYWRXPPE-UHFFFAOYSA-N 0 3 249.362 0.832 20 0 BCADHN COCCC1CCN(C(=O)[C@H](CN)OC)CC1 ZINC000704215978 712101101 /nfs/dbraw/zinc/10/11/01/712101101.db2.gz QUENCJMLVQIFAS-NSHDSACASA-N 0 3 244.335 0.235 20 0 BCADHN COC[C@@H](C)OC(=O)NC[C@@H]1CCCN1C ZINC000704405042 712106935 /nfs/dbraw/zinc/10/69/35/712106935.db2.gz LNNQUAWFORNCOQ-ZJUUUORDSA-N 0 3 230.308 0.842 20 0 BCADHN CN1CC[C@@](O)(CNc2nccnc2F)C1 ZINC000705380257 712129813 /nfs/dbraw/zinc/12/98/13/712129813.db2.gz IPQRRJKZICLAEC-SNVBAGLBSA-N 0 3 226.255 0.094 20 0 BCADHN OC[C@H]1CN(Cc2cccc(F)c2)C[C@H]1CO ZINC000705388007 712130165 /nfs/dbraw/zinc/13/01/65/712130165.db2.gz MTJZXDUPLRLEFT-TXEJJXNPSA-N 0 3 239.290 0.858 20 0 BCADHN C[C@H](CNC(=O)[C@@H](N)CN(C)C)c1ccccc1 ZINC000705429223 712131405 /nfs/dbraw/zinc/13/14/05/712131405.db2.gz VDOIJSURKKOJMO-YPMHNXCESA-N 0 3 249.358 0.795 20 0 BCADHN CC(C)[C@@H]1CCCCN1C(=O)[C@@H](N)CN(C)C ZINC000705438113 712131456 /nfs/dbraw/zinc/13/14/56/712131456.db2.gz FXRCSNFFYKBXKC-RYUDHWBXSA-N 0 3 241.379 0.912 20 0 BCADHN COCCN(CCF)C(=O)C(N)C(F)(F)F ZINC000705520276 712132702 /nfs/dbraw/zinc/13/27/02/712132702.db2.gz VTDGTUKHDLWHCY-LURJTMIESA-N 0 3 246.204 0.321 20 0 BCADHN NC(C(=O)N[C@H]1C=CCC1)C(F)(F)F ZINC000705540779 712132825 /nfs/dbraw/zinc/13/28/25/712132825.db2.gz TXFYBYCGKVZBRC-NTSWFWBYSA-N 0 3 208.183 0.711 20 0 BCADHN CCC(=O)N1CCC2(CN(CCOC)C2)CC1 ZINC001035627529 712137622 /nfs/dbraw/zinc/13/76/22/712137622.db2.gz CTXCAGGIERXOMI-UHFFFAOYSA-N 0 3 240.347 0.967 20 0 BCADHN CC(=O)N1CCC2(CN(CCCO)C2)CC1 ZINC001035627478 712137785 /nfs/dbraw/zinc/13/77/85/712137785.db2.gz BWRRCDMQDWKOKM-UHFFFAOYSA-N 0 3 226.320 0.313 20 0 BCADHN CC(C)C(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035653125 712139080 /nfs/dbraw/zinc/13/90/80/712139080.db2.gz LQKMGBAFFQLKAX-UHFFFAOYSA-N 0 3 240.347 0.559 20 0 BCADHN CN1C[C@@]2(C)CN(S(C)(=O)=O)C[C@]2(C)C1 ZINC000706278204 712142854 /nfs/dbraw/zinc/14/28/54/712142854.db2.gz SWSLSDUPGZMDKL-UWVGGRQHSA-N 0 3 232.349 0.220 20 0 BCADHN CN1C[C@]2(C)CN(S(C)(=O)=O)C[C@]2(C)C1 ZINC000706278197 712142921 /nfs/dbraw/zinc/14/29/21/712142921.db2.gz SWSLSDUPGZMDKL-AOOOYVTPSA-N 0 3 232.349 0.220 20 0 BCADHN CCN(C1CCC1)S(=O)(=O)N1CCNCC1 ZINC000706884687 712158895 /nfs/dbraw/zinc/15/88/95/712158895.db2.gz XRVGKNNUGQZIOQ-UHFFFAOYSA-N 0 3 247.364 0.011 20 0 BCADHN Nc1cnc(CN2CC[C@@]3(CCOC3)C2)cn1 ZINC000707647990 712176114 /nfs/dbraw/zinc/17/61/14/712176114.db2.gz JZVXGZQEWNVRQC-GFCCVEGCSA-N 0 3 234.303 0.671 20 0 BCADHN CO[C@H]1C[C@@H](CNCc2cnn(C)n2)C1 ZINC000708665164 712196066 /nfs/dbraw/zinc/19/60/66/712196066.db2.gz RDLLLPRQEJYNJJ-WAAGHKOSSA-N 0 3 210.281 0.330 20 0 BCADHN CCC[C@H]1CN(C(=O)[C@@H](N)CCOC)CCO1 ZINC000709054313 712206866 /nfs/dbraw/zinc/20/68/66/712206866.db2.gz LBERNPZOUFLLCR-QWRGUYRKSA-N 0 3 244.335 0.378 20 0 BCADHN OC[C@@H]1CCCN(Cc2ccccn2)[C@@H]1CO ZINC000709810814 712228466 /nfs/dbraw/zinc/22/84/66/712228466.db2.gz RIJLMVHMXJJFNG-WCQYABFASA-N 0 3 236.315 0.647 20 0 BCADHN COCC[C@](C)(O)CN[C@@H](C)c1cn(C)cn1 ZINC000709918748 712232783 /nfs/dbraw/zinc/23/27/83/712232783.db2.gz HNBCFQQXYAJFHS-JQWIXIFHSA-N 0 3 241.335 0.858 20 0 BCADHN C[C@@H](NCC[C@@]1(O)CCOC1)c1cn(C)cn1 ZINC000709987909 712237587 /nfs/dbraw/zinc/23/75/87/712237587.db2.gz WYNCLIBBIBNKOX-ZYHUDNBSSA-N 0 3 239.319 0.612 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@H]1C[C@@H](O)C1(C)C ZINC000710944516 712267101 /nfs/dbraw/zinc/26/71/01/712267101.db2.gz CNSLIGXLEZGJLU-LPEHRKFASA-N 0 3 229.320 0.887 20 0 BCADHN COC1(OC)CC[C@@H]1N[C@H](C)[C@H](CO)SC ZINC000710975832 712270959 /nfs/dbraw/zinc/27/09/59/712270959.db2.gz JUHBQPHNRHONCD-UTLUCORTSA-N 0 3 249.376 0.840 20 0 BCADHN COC[C@H](C)N[C@H]1CCC1(OC)OC ZINC000710993324 712272704 /nfs/dbraw/zinc/27/27/04/712272704.db2.gz HLWGVAHZIPTTBC-IUCAKERBSA-N 0 3 203.282 0.762 20 0 BCADHN COCC[C@@H](COC)N[C@H]1CCC1(OC)OC ZINC000710992924 712272780 /nfs/dbraw/zinc/27/27/80/712272780.db2.gz GURINZKPHNYXDK-QWRGUYRKSA-N 0 3 247.335 0.779 20 0 BCADHN COCC[C@H](COC)N[C@H]1CCC1(OC)OC ZINC000710992919 712273103 /nfs/dbraw/zinc/27/31/03/712273103.db2.gz GURINZKPHNYXDK-MNOVXSKESA-N 0 3 247.335 0.779 20 0 BCADHN CC(C)(F)CCNS(=O)(=O)C1CNC1 ZINC000711039823 712275757 /nfs/dbraw/zinc/27/57/57/712275757.db2.gz ZJJFECGCYZGUQG-UHFFFAOYSA-N 0 3 224.301 0.016 20 0 BCADHN CCN1CC[C@H](NC(=O)N[C@H]2COC[C@@H]2C)C1 ZINC000922907632 712285241 /nfs/dbraw/zinc/28/52/41/712285241.db2.gz JFRVLQGDJNBXCL-DCAQKATOSA-N 0 3 241.335 0.415 20 0 BCADHN CC[C@H](C(N)=O)N1CCC[C@@H](CF)C1 ZINC000711399390 712298155 /nfs/dbraw/zinc/29/81/55/712298155.db2.gz LVIKJXZGCKNYDT-DTWKUNHWSA-N 0 3 202.273 0.932 20 0 BCADHN C[C@H]1CS(=O)(=O)C[C@H]1N[C@H]1CO[C@@H](C)C1 ZINC000711678558 712315999 /nfs/dbraw/zinc/31/59/99/712315999.db2.gz FFWROHIUJMLMPD-AXTSPUMRSA-N 0 3 233.333 0.187 20 0 BCADHN C[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H]1CCCOC1 ZINC000711701814 712318559 /nfs/dbraw/zinc/31/85/59/712318559.db2.gz CKYHQAXHGZMAIP-BBBLOLIVSA-N 0 3 233.333 0.188 20 0 BCADHN C[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H]1CCO[C@H]1C ZINC000711710887 712319930 /nfs/dbraw/zinc/31/99/30/712319930.db2.gz YEKWMVMNDZYAGP-KATARQTJSA-N 0 3 233.333 0.187 20 0 BCADHN C[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H]1COCC1(C)C ZINC000711780919 712329691 /nfs/dbraw/zinc/32/96/91/712329691.db2.gz SCXQAYBBDOZKMS-KXUCPTDWSA-N 0 3 247.360 0.434 20 0 BCADHN C[C@@H](N)C(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711858641 712335949 /nfs/dbraw/zinc/33/59/49/712335949.db2.gz RVVXWGILAFKZLZ-IEBDPFPHSA-N 0 3 226.320 0.655 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CC1CC1 ZINC001079344391 712348442 /nfs/dbraw/zinc/34/84/42/712348442.db2.gz XJXFVSGJKUFYTE-MWLCHTKSSA-N 0 3 226.320 0.215 20 0 BCADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CC12CC2 ZINC001080507339 712353025 /nfs/dbraw/zinc/35/30/25/712353025.db2.gz FIMOKPRCRCAWPT-OUAUKWLOSA-N 0 3 238.331 0.215 20 0 BCADHN C[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C)C1 ZINC001080827684 712353967 /nfs/dbraw/zinc/35/39/67/712353967.db2.gz ONMDYLAYFNKLDJ-GMTAPVOTSA-N 0 3 242.363 0.850 20 0 BCADHN CCN1C[C@@H](C)[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001080586378 712354230 /nfs/dbraw/zinc/35/42/30/712354230.db2.gz GVJWMHIKRIRJKP-PSASIEDQSA-N 0 3 236.319 0.788 20 0 BCADHN Nc1ccc(CN2CCC[C@H](O)CC2)cn1 ZINC000378676881 712356890 /nfs/dbraw/zinc/35/68/90/712356890.db2.gz QFTFOQHGLWDVET-NSHDSACASA-N 0 3 221.304 0.841 20 0 BCADHN Cc1cc([C@@H](C)N[C@@H]2CC[C@H]2O)n(C)n1 ZINC000378732932 712359741 /nfs/dbraw/zinc/35/97/41/712359741.db2.gz LPZJEQOTKQPWCM-FXPVBKGRSA-N 0 3 209.293 0.902 20 0 BCADHN CN(C)CCONC(=O)c1ccc(F)nc1 ZINC000379154908 712370535 /nfs/dbraw/zinc/37/05/35/712370535.db2.gz KAYUFACWROLMJI-UHFFFAOYSA-N 0 3 227.239 0.444 20 0 BCADHN CC[C@@H](CNCCS(C)(=O)=O)OC ZINC000379359838 712375896 /nfs/dbraw/zinc/37/58/96/712375896.db2.gz ZZGMHXGFOXORES-QMMMGPOBSA-N 0 3 209.311 0.046 20 0 BCADHN COC(CN(C)CC(C)(C)CO)OC ZINC000714638952 712382920 /nfs/dbraw/zinc/38/29/20/712382920.db2.gz YRXLRMUDKCQEDF-UHFFFAOYSA-N 0 3 205.298 0.556 20 0 BCADHN C[C@@H]1NCCN(C(=O)[C@@H](O)c2ccccc2)[C@H]1C ZINC000379449856 712384888 /nfs/dbraw/zinc/38/48/88/712384888.db2.gz BAHVSZWYIDAMFS-GVXVVHGQSA-N 0 3 248.326 0.929 20 0 BCADHN CC(C)(F)C(=O)NCCN1CCCC1 ZINC000379583312 712389362 /nfs/dbraw/zinc/38/93/62/712389362.db2.gz MYBUFZGBDFPMSW-UHFFFAOYSA-N 0 3 202.273 0.947 20 0 BCADHN COC[C@@H](C)NC(=O)[C@H](N)CC1CC1 ZINC000379588559 712389740 /nfs/dbraw/zinc/38/97/40/712389740.db2.gz UFHDIHXMHWXLES-VXNVDRBHSA-N 0 3 200.282 0.265 20 0 BCADHN O=C(CN1C[C@@H]2[C@H](O)CC[C@@H]2C1)N1CCCC1 ZINC000712293535 712394422 /nfs/dbraw/zinc/39/44/22/712394422.db2.gz OUWWDCVZPYUMMS-GRYCIOLGSA-N 0 3 238.331 0.312 20 0 BCADHN CCOC(=O)CCCNC(=O)[C@@H](N)CC1CC1 ZINC000379754886 712397311 /nfs/dbraw/zinc/39/73/11/712397311.db2.gz AAANUOPCKDESOM-JTQLQIEISA-N 0 3 242.319 0.573 20 0 BCADHN CCN1CC[C@H]1CNc1ccnc(C(N)=O)c1 ZINC000712594646 712436409 /nfs/dbraw/zinc/43/64/09/712436409.db2.gz NFTMBNWFJBKVQQ-JTQLQIEISA-N 0 3 234.303 0.109 20 0 BCADHN CN1CCN(C(=O)c2cn[nH]c2)CCC1(C)C ZINC000712610190 712437268 /nfs/dbraw/zinc/43/72/68/712437268.db2.gz SBFUBIVBXPCQOW-UHFFFAOYSA-N 0 3 236.319 0.966 20 0 BCADHN C[C@@](CO)(NCCn1cnnn1)c1ccccc1 ZINC000712607834 712437284 /nfs/dbraw/zinc/43/72/84/712437284.db2.gz ZIWYQWAPNQQAIH-LBPRGKRZSA-N 0 3 247.302 0.170 20 0 BCADHN CCN1CC[C@H]1CNCCS(=O)(=O)CC ZINC000712540924 712443231 /nfs/dbraw/zinc/44/32/31/712443231.db2.gz CQXDBUHUVGAYAB-JTQLQIEISA-N 0 3 234.365 0.105 20 0 BCADHN CCN1CC[C@@H]1CNCCS(=O)(=O)CC ZINC000712540925 712443357 /nfs/dbraw/zinc/44/33/57/712443357.db2.gz CQXDBUHUVGAYAB-SNVBAGLBSA-N 0 3 234.365 0.105 20 0 BCADHN COC[C@H]1C[C@@H](NCc2cn(C)cn2)C1 ZINC000714436543 712486749 /nfs/dbraw/zinc/48/67/49/712486749.db2.gz KSDKYFYKSQPXEQ-AOOOYVTPSA-N 0 3 209.293 0.935 20 0 BCADHN CCn1cc(CNC2(C)CCOCC2)nn1 ZINC000714909278 712498889 /nfs/dbraw/zinc/49/88/89/712498889.db2.gz PHDGLDKBYMNTTD-UHFFFAOYSA-N 0 3 224.308 0.957 20 0 BCADHN [NH3+][C@H]1C[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000715073213 712506205 /nfs/dbraw/zinc/50/62/05/712506205.db2.gz JQXIJWUXROYOQG-KYZUINATSA-N 0 3 220.272 0.859 20 0 BCADHN C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C(=O)[O-] ZINC000715272402 712515287 /nfs/dbraw/zinc/51/52/87/712515287.db2.gz SXLNFLTWCOLFPS-IVZWLZJFSA-N 0 3 214.309 0.922 20 0 BCADHN COC[C@@H](O)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000715384761 712521741 /nfs/dbraw/zinc/52/17/41/712521741.db2.gz DIQVFFCTMPDDLZ-BIIVOSGPSA-N 0 3 207.220 0.191 20 0 BCADHN CC[C@@H](N)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000037004372 712527557 /nfs/dbraw/zinc/52/75/57/712527557.db2.gz SRTTVFCYBIBIIV-LLVKDONJSA-N 0 3 245.286 0.943 20 0 BCADHN CC[C@@H](N)C(=O)Nc1cccnc1OC ZINC000037030643 712530378 /nfs/dbraw/zinc/53/03/78/712530378.db2.gz RMBBWMCKYQNHEI-SSDOTTSWSA-N 0 3 209.249 0.766 20 0 BCADHN C[C@H](NCCC1CC(O)C1)c1cn(C)nn1 ZINC000715841173 712532886 /nfs/dbraw/zinc/53/28/86/712532886.db2.gz HUMQLCIEMMVZDR-IDKOKCKLSA-N 0 3 224.308 0.627 20 0 BCADHN C[C@H](NC[C@@]1(C)CCOC1)c1cn(C)nn1 ZINC000715853896 712536424 /nfs/dbraw/zinc/53/64/24/712536424.db2.gz USNXJERNPKACPN-GXSJLCMTSA-N 0 3 224.308 0.892 20 0 BCADHN CC(C)[C@@H](CCO)N[C@@H](C)c1cn(C)nn1 ZINC000715879003 712539149 /nfs/dbraw/zinc/53/91/49/712539149.db2.gz RIDKEJFUPVJDAL-VHSXEESVSA-N 0 3 226.324 0.873 20 0 BCADHN CC[C@@H](CCO)CN[C@H](C)c1cn(C)nn1 ZINC000715878998 712539302 /nfs/dbraw/zinc/53/93/02/712539302.db2.gz RHQFJNKBPFZIDJ-ZJUUUORDSA-N 0 3 226.324 0.874 20 0 BCADHN NC1(C(=O)NCC[C@@H]2CCCS2)CC1 ZINC000716044956 712548212 /nfs/dbraw/zinc/54/82/12/712548212.db2.gz OUXZAKRDPDKQAD-QMMMGPOBSA-N 0 3 214.334 0.880 20 0 BCADHN COCC(COC)NCc1n[nH]c(C)c1C ZINC000716455706 712562341 /nfs/dbraw/zinc/56/23/41/712562341.db2.gz LJHOFOCHVGCDIQ-UHFFFAOYSA-N 0 3 227.308 0.778 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)c1sccc1F ZINC000716678620 712569561 /nfs/dbraw/zinc/56/95/61/712569561.db2.gz JCMMDHIUAQOMFF-SSDOTTSWSA-N 0 3 246.307 0.540 20 0 BCADHN CN(C)C[C@H](CO)NC(=O)/C=C/c1ccco1 ZINC000716692339 712570487 /nfs/dbraw/zinc/57/04/87/712570487.db2.gz XWFQONWHDXOVBI-BRAIEQGRSA-N 0 3 238.287 0.332 20 0 BCADHN Cc1cc(CNC(=O)[C@@H](N)CC2CC2)[nH]n1 ZINC000716774445 712573351 /nfs/dbraw/zinc/57/33/51/712573351.db2.gz OCRFJTYZHWVWBL-JTQLQIEISA-N 0 3 222.292 0.462 20 0 BCADHN Cc1ccnn1CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000876795240 712629746 /nfs/dbraw/zinc/62/97/46/712629746.db2.gz DPUPPZGMBRQAIE-GXSJLCMTSA-N 0 3 236.319 0.400 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1ccc(F)cc1 ZINC000717278091 712642214 /nfs/dbraw/zinc/64/22/14/712642214.db2.gz PYMVVRDFDIDAAH-KCJUWKMLSA-N 0 3 213.252 0.657 20 0 BCADHN C[C@@H](O)[C@H](O)CNCc1ccc(F)cc1 ZINC000717278097 712642278 /nfs/dbraw/zinc/64/22/78/712642278.db2.gz PYMVVRDFDIDAAH-LDYMZIIASA-N 0 3 213.252 0.657 20 0 BCADHN CCc1ncc(CNC[C@H](O)[C@H](C)O)s1 ZINC000717296781 712645562 /nfs/dbraw/zinc/64/55/62/712645562.db2.gz OZXFIMKUAVDURW-CBAPKCEASA-N 0 3 230.333 0.537 20 0 BCADHN COCC[C@@H](N)C(=O)NCC1CC=CC1 ZINC000717305100 712646014 /nfs/dbraw/zinc/64/60/14/712646014.db2.gz CXMDFUGUPOBRFG-SNVBAGLBSA-N 0 3 212.293 0.433 20 0 BCADHN Cc1cc(CNC[C@H](O)[C@H](C)O)ccc1F ZINC000717305164 712646018 /nfs/dbraw/zinc/64/60/18/712646018.db2.gz DFZLVXLAGQBITL-CABZTGNLSA-N 0 3 227.279 0.965 20 0 BCADHN CCn1cc([C@H](C)NC[C@@H](O)[C@@H](C)O)cn1 ZINC000717309505 712646212 /nfs/dbraw/zinc/64/62/12/712646212.db2.gz USTAMTBCBLDSQD-IQJOONFLSA-N 0 3 227.308 0.295 20 0 BCADHN Cc1ccc(F)cc1CNC[C@H](O)[C@H](C)O ZINC000717309917 712646434 /nfs/dbraw/zinc/64/64/34/712646434.db2.gz VRSUAJICRVGKOP-CABZTGNLSA-N 0 3 227.279 0.965 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1n[nH]c2ccccc12 ZINC000717388020 712653260 /nfs/dbraw/zinc/65/32/60/712653260.db2.gz OKQKXEQWEGKAGJ-UFBFGSQYSA-N 0 3 235.287 0.394 20 0 BCADHN C[C@H](O)[C@@H](O)CNCc1[nH]nc2ccccc21 ZINC000717388020 712653262 /nfs/dbraw/zinc/65/32/62/712653262.db2.gz OKQKXEQWEGKAGJ-UFBFGSQYSA-N 0 3 235.287 0.394 20 0 BCADHN COc1ccc(CNC[C@H](O)[C@H](C)O)cc1O ZINC000717391484 712653805 /nfs/dbraw/zinc/65/38/05/712653805.db2.gz AXEGMROTOIWDKO-KWQFWETISA-N 0 3 241.287 0.232 20 0 BCADHN COc1ccc(CNC[C@@H](O)[C@H](C)O)cc1O ZINC000717391472 712653927 /nfs/dbraw/zinc/65/39/27/712653927.db2.gz AXEGMROTOIWDKO-GZMMTYOYSA-N 0 3 241.287 0.232 20 0 BCADHN Cc1ncsc1CNC[C@@H](O)[C@H](C)O ZINC000717418558 712656888 /nfs/dbraw/zinc/65/68/88/712656888.db2.gz GFGKZQGSMNDYLY-JGVFFNPUSA-N 0 3 216.306 0.283 20 0 BCADHN C[C@H](O)[C@H](O)CN[C@@H](C)c1cncs1 ZINC000717422914 712657739 /nfs/dbraw/zinc/65/77/39/712657739.db2.gz VZBUNWFBXUNGGD-BIIVOSGPSA-N 0 3 216.306 0.535 20 0 BCADHN Cc1ncc(CNC[C@@H](O)[C@@H](C)O)s1 ZINC000717423465 712657870 /nfs/dbraw/zinc/65/78/70/712657870.db2.gz ZKQUMHZUOSEDNX-HZGVNTEJSA-N 0 3 216.306 0.283 20 0 BCADHN C[C@@H](O)[C@@H](O)CNCc1cccc(O)c1 ZINC000717428016 712658243 /nfs/dbraw/zinc/65/82/43/712658243.db2.gz OVQRDTBGVDYBOC-KCJUWKMLSA-N 0 3 211.261 0.224 20 0 BCADHN COC1(OC)CC[C@H]1NC/C=C\CO ZINC000717532098 712660764 /nfs/dbraw/zinc/66/07/64/712660764.db2.gz LKGBNEBZIOVSPI-ZBJFTSOASA-N 0 3 201.266 0.276 20 0 BCADHN COC1(OC)CC[C@H]1N[C@@H](CO)CC(F)F ZINC000717707962 712664348 /nfs/dbraw/zinc/66/43/48/712664348.db2.gz PHSITLDPJPEZSI-HTQZYQBOSA-N 0 3 239.262 0.744 20 0 BCADHN C[C@@H]1CN(C(=O)[C@H](N)CC2CC2)CCO1 ZINC000380007165 712669759 /nfs/dbraw/zinc/66/97/59/712669759.db2.gz LIXFLIFMMOFHTH-PSASIEDQSA-N 0 3 212.293 0.361 20 0 BCADHN CCC[C@](C)(N)C(=O)N(C)CC(=O)NC1CC1 ZINC000037621524 712682329 /nfs/dbraw/zinc/68/23/29/712682329.db2.gz UGQKLOZQCXOMDM-LBPRGKRZSA-N 0 3 241.335 0.241 20 0 BCADHN C[C@@H](N[C@H](CO)C1CC1)c1cnccn1 ZINC000389964675 712692606 /nfs/dbraw/zinc/69/26/06/712692606.db2.gz WZTDYVNYNXTEMV-LDYMZIIASA-N 0 3 207.277 0.898 20 0 BCADHN C[C@H](N[C@H](CO)C1CC1)c1cnccn1 ZINC000389964672 712692623 /nfs/dbraw/zinc/69/26/23/712692623.db2.gz WZTDYVNYNXTEMV-GZMMTYOYSA-N 0 3 207.277 0.898 20 0 BCADHN CN1CC[C@@H](CNC(=O)c2coc(C=O)c2)C1 ZINC000930362271 712697204 /nfs/dbraw/zinc/69/72/04/712697204.db2.gz HDGSUWLOYBKVIP-VIFPVBQESA-N 0 3 236.271 0.774 20 0 BCADHN Cc1coc(CNCC2(CO)COC2)c1 ZINC000718091126 712742188 /nfs/dbraw/zinc/74/21/88/712742188.db2.gz AUHOFCXUJUMYCR-UHFFFAOYSA-N 0 3 211.261 0.687 20 0 BCADHN C[C@@H](NCCS(C)(=O)=O)[C@H]1CCCO1 ZINC000037743433 712753920 /nfs/dbraw/zinc/75/39/20/712753920.db2.gz UZBHCXAVPSHDRS-RKDXNWHRSA-N 0 3 221.322 0.188 20 0 BCADHN C[C@@H](C(=O)N(C)C)N1CC[C@H](C2OCCO2)C1 ZINC000718986868 712792141 /nfs/dbraw/zinc/79/21/41/712792141.db2.gz FMUDDWRIDJQUQU-UWVGGRQHSA-N 0 3 242.319 0.158 20 0 BCADHN Cn1ncc(CN)c1C(=O)NC1CCCCC1 ZINC000719243473 712801140 /nfs/dbraw/zinc/80/11/40/712801140.db2.gz HKOJQKWCJAUGNH-UHFFFAOYSA-N 0 3 236.319 0.941 20 0 BCADHN C[C@@H]1CCCN(C(=O)c2c(CN)cnn2C)C1 ZINC000719244460 712801456 /nfs/dbraw/zinc/80/14/56/712801456.db2.gz NTWMZHSKVPALFO-SECBINFHSA-N 0 3 236.319 0.751 20 0 BCADHN C[C@@H]1C[C@H]1CNC(=O)c1c(CN)cnn1C ZINC000719257056 712801965 /nfs/dbraw/zinc/80/19/65/712801965.db2.gz PZMDSQXBVOBSPT-SFYZADRCSA-N 0 3 222.292 0.265 20 0 BCADHN C[C@@H]1CCCN1C(=O)c1c(CN)cnn1C ZINC000719255493 712802115 /nfs/dbraw/zinc/80/21/15/712802115.db2.gz FTGALKRPPAQPRL-MRVPVSSYSA-N 0 3 222.292 0.503 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2cn[nH]c2)CCN1C ZINC000719341892 712804469 /nfs/dbraw/zinc/80/44/69/712804469.db2.gz QWIGRNFNFHGCGI-CBAPKCEASA-N 0 3 208.265 0.232 20 0 BCADHN C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C ZINC000719341381 712804477 /nfs/dbraw/zinc/80/44/77/712804477.db2.gz MLJFTKATCPVCCO-SCZZXKLOSA-N 0 3 235.287 0.610 20 0 BCADHN C[C@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCN1C ZINC000719340957 712804797 /nfs/dbraw/zinc/80/47/97/712804797.db2.gz HAIRMUIFIZXZCW-IUCAKERBSA-N 0 3 235.287 0.610 20 0 BCADHN C[C@@H]1[C@H](NC(=O)N[C@H]2CCOC2)CCN1C ZINC000719372656 712805728 /nfs/dbraw/zinc/80/57/28/712805728.db2.gz IAVGESRYGIXJLC-KXUCPTDWSA-N 0 3 227.308 0.167 20 0 BCADHN CCNC(=S)N[C@@H]1CCN(C)[C@@H]1C ZINC000719367723 712806310 /nfs/dbraw/zinc/80/63/10/712806310.db2.gz SNUIZXGUWIJITD-HTQZYQBOSA-N 0 3 201.339 0.563 20 0 BCADHN C[C@@H](N)C(=O)NCc1ncc(Cl)s1 ZINC000719438934 712807773 /nfs/dbraw/zinc/80/77/73/712807773.db2.gz BHKPGJMOGNGFPN-SCSAIBSYSA-N 0 3 219.697 0.760 20 0 BCADHN C[C@H]1[C@H](NCc2nccn2C)CCN1C ZINC000719623540 712813952 /nfs/dbraw/zinc/81/39/52/712813952.db2.gz LVFCRIKBFYFXGW-VHSXEESVSA-N 0 3 208.309 0.602 20 0 BCADHN C[C@H]1[C@@H](NCc2ccn(C)n2)CCN1C ZINC000719647126 712819906 /nfs/dbraw/zinc/81/99/06/712819906.db2.gz ZCVARXBFHGPRFT-ONGXEEELSA-N 0 3 208.309 0.602 20 0 BCADHN C[C@@H](O)CN(CCO)CCc1ccns1 ZINC000719846310 712826053 /nfs/dbraw/zinc/82/60/53/712826053.db2.gz LQMLMAAQUZDFQJ-SECBINFHSA-N 0 3 230.333 0.361 20 0 BCADHN CN1C[C@H](NCc2ccc(O)c(F)c2)CC1=O ZINC000380230616 712834472 /nfs/dbraw/zinc/83/44/72/712834472.db2.gz QQPXONFTBKDVRE-SECBINFHSA-N 0 3 238.262 0.852 20 0 BCADHN C[C@@H]1Cc2cc(CNC(CO)CO)ccc2O1 ZINC000720790279 712865963 /nfs/dbraw/zinc/86/59/63/712865963.db2.gz KDIFPFANVIFODR-SECBINFHSA-N 0 3 237.299 0.453 20 0 BCADHN CN(C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720849903 712870681 /nfs/dbraw/zinc/87/06/81/712870681.db2.gz OAZPSXMIVKACTI-NXEZZACHSA-N 0 3 211.309 0.837 20 0 BCADHN CN(C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720849910 712870904 /nfs/dbraw/zinc/87/09/04/712870904.db2.gz OAZPSXMIVKACTI-UWVGGRQHSA-N 0 3 211.309 0.837 20 0 BCADHN Cn1nncc1CNC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720861492 712870971 /nfs/dbraw/zinc/87/09/71/712870971.db2.gz NXMWMSIUMYYYHK-USWWRNFRSA-N 0 3 236.319 0.862 20 0 BCADHN CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720879172 712873145 /nfs/dbraw/zinc/87/31/45/712873145.db2.gz VNIZYTIPBLMDGN-MNOVXSKESA-N 0 3 226.320 0.718 20 0 BCADHN COc1nccc(CNC[C@H]2C[C@H](O)C2)n1 ZINC000720906794 712876790 /nfs/dbraw/zinc/87/67/90/712876790.db2.gz DVRIACWBAHIYHN-CZMCAQCFSA-N 0 3 223.276 0.346 20 0 BCADHN CN(C)CC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000721054062 712889086 /nfs/dbraw/zinc/88/90/86/712889086.db2.gz JIPZMOPVNYZEKE-CYBMUJFWSA-N 0 3 247.342 0.379 20 0 BCADHN